C1=CC=C2C=C[C-]=C2C=C1	PC-id_153696234	127.055	QEDNYCWEHCJHQF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000001
c12-c(ccccc1)[c+]cc2	PC-id_57424300	127.163	NIRCRKOQHQJVBG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000002
[nH]1c2c(cc1)C=C[B]C=C2	PC-id_85727771	127.959	WHIPNDGEAQALLW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000003
[nH]1cc2c(c1)C=C[B]C=C2	PC-id_85727769	127.959	ZCRWEQBXVGTVMC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000004
c1ccc2-c(ccc2)cc1	GD-id_ZINC01570209,UNPD32826,SPECS-id_AS-970/QB08025,MCULE-9439882903,SPECS-id_AT-225/NB64223,LI_215354,CHEBI:31249,KG-id_D09768,PC-id_9231,NSC89248,EMOLS-id_479187,TIMTEC109839,CoCoCo_5403803,SPECS-id_AS-970/QB07906,NP_50211,OSADHI_941,CT-id_3500025	128.171	CUFNKYGDVFVPHO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000005
o1c2c(cc1)C=C[B]C=C2	PC-id_85727773	128.944	KYGNDWOIRGHBRG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000006
c1ccc2-c(cc1)ccn2	PC-id_13805010,SCHEMBL1533669	129.159	LMBQFLQKKMVTMV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000007
c1ccc2-c(cc1)cnc2	SCHEMBL5331238,PC-id_19977156	129.159	LNFLVFXWOCZBMF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000008
c1ccc2-c(cn1)ccc2	SCHEMBL11577671,PC-id_638010	129.159	DPDCGVKTAWIGLD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000009
c1ccc2-c(nc1)ccc2	SCHEMBL2893000,PC-id_13122817	129.159	ONCIZTYIPFZSNR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000010
n1ccc2-c(cc1)ccc2	PC-id_69565122,SCHEMBL5786570	129.159	OMZPFUHLUVHAHP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000011
[2H]c1ccc2-c(cc1)ccc2	PC-id_101344327	129.177	CUFNKYGDVFVPHO-MICDWDOJSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000012
[2H]c1ccccc2-c1ccc2	PC-id_12252742	129.177	CUFNKYGDVFVPHO-UICOGKGYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000013
C1=CC=NC2=CN=CC2=C1	PC-id_153941013	130.053	OMMACBWJDOVZEB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000014
C1=CC=C2C=[NH+]C=C2C=C1	PC-id_154056231	130.065	LNFLVFXWOCZBMF-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-000015
C1=CC=c2c(=C=C1)occ2	PC-id_142992511	130.143	CWHKYGWLBBHOGQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000016
C1C#CC=Cc2c1occ2	PC-id_135041334	130.143	UNNDWAQOIBVXFV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000017
c1coc2=CC=C=CC=c12	PC-id_91100381	130.143	HIBLMXITFKLCAW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000018
c1ccc2-c(cc1)cnn2	SCHEMBL3227703,PC-id_18426097	130.147	UREWVVFRSGFOEL-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000019
c1ccc2-c(cc1)ncn2	SCHEMBL1133525,PC-id_638009	130.147	HPGSSIJHLUDJFV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000020
C1C=Cc2c(C#C1)[nH]cn2	SCHEMBL19360661	130.147	SRWAPLVGQAZLBV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000021
C1=CC=c2c(=CN=1)cc[nH]2	SCHEMBL18935258	130.147	DPBHOPOUNGCGBA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000022
c1ccc2-c(cn1)cnc2	PC-id_22737941,SCHEMBL6772005	130.147	RYRWEFFVTSOHSY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000023
c1ccc2-c(cn1)ncc2	PC-id_19960786,SCHEMBL6997058	130.147	KAYMJTJKPNRIHC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000024
C1=CC=c2c(=CN=1)[nH]cc2	SCHEMBL18935259	130.147	IDWNMHRTKFGAHX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000025
c1ccc2-c(nc1)ccn2	PC-id_66934182,SCHEMBL1181563	130.147	CTVOZUFKICZROL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000026
C1=C=Cc2n(C=C1)ccn2	PC-id_143498608	130.147	UQPFXBIQYYTKDS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000027
C1=C=Cc2n(C=C1)cnc2	PC-id_143498581	130.147	NTYPLKMFOCJLFT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000028
C1=C=Cc2n(C=C1)ncc2	PC-id_144465644	130.147	YXLYLWZBZWCHLP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000029
c1ccnc2-c(ccn2)c1	PC-id_137100448	130.147	ARJJZCYYLFGVRG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000030
C1=C=Nc2c(C=C1)cc[nH]2	SCHEMBL18639765	130.147	MSFWOXPOPBFKTE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000031
c1ncc2-c(cc1)ncc2	PC-id_21546120,SCHEMBL6622238	130.147	QDLGOHRLFMJJQQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000032
n1c2-c(cc1)ccncc2	PC-id_53794021,SCHEMBL2077041	130.147	FDVAFZGRSKEVGR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000033
N1=C=Cc2c(C=C1)cc[nH]2	SCHEMBL18935533	130.147	SEYBLNXZZANWAP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000034
n1ccc2-c(cc1)cnc2	PC-id_118555777,SCHEMBL17310765	130.147	QPPXNMSORVYMTG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000035
N1=C=Cc2c(C=C1)c[nH]c2	SCHEMBL21335022	130.147	UKIHYOBFNJRGCY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000036
[nH+]1c2-c(cc1)ccccc2	PC-id_20030504	130.167	LMBQFLQKKMVTMV-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-000037
[2H]c1cc(c2-c1ccccc2)[2H]	PC-id_101060801	130.183	CUFNKYGDVFVPHO-QTQOOCSTSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000038
c1([2H])c2-c(ccc2)c(ccc1)[2H]	PC-id_135082732	130.183	CUFNKYGDVFVPHO-KCZCTXNHSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000039
c1([2H])cc(cc2-c(ccc2)c1)[2H]	PC-id_135082854	130.183	CUFNKYGDVFVPHO-PBNXXWCMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000040
C1C=CC=CC2=CNC=C21	PC-id_163971127	131.073	SQBRMFDUPPLRJH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000041
C1=C=Nc2c(C=C1)cco2	SCHEMBL18642857	131.131	MMBSILDWGCJOTM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000042
c1cc2-c(ccn2)nnc1	PC-id_67240553,SCHEMBL1993381,HMDB0257006	131.135	ZDJJKOOESFJHGL-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000043
c1ccc2-c(cc1)nnn2	SCHEMBL2075273,PC-id_67269277	131.135	BRWBPJCJRKBYQU-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000044
c1ccc2-c(cn1)cnn2	PC-id_67269049,SCHEMBL2074501	131.135	IEYLJFJNIRQUAJ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000045
C1=CC=c2c(=CN=1)[nH]cn2	SCHEMBL18427207	131.135	NWVYSLNRXKTBNC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000046
c1ccc2-c(cn1)nnc2	SCHEMBL20267348	131.135	ZRABZTQVIFEYDQ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000047
c1ccc2-c(nc1)cnn2	SCHEMBL2041922,PC-id_67258243	131.135	HMIITAWYCKLAAP-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000048
c1ccc2-c(nc1)ncn2	SCHEMBL1397375,PC-id_67017611	131.135	YVKJMACNGRYTAY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000049
c1ccc2-c(nc1)nnc2	PC-id_138753410,SCHEMBL21315698	131.135	CCPFKUIEYIXTOY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000050
C1=CC=c2c(=NN=1)cc[nH]2	SCHEMBL19909556	131.135	MWJHMHUYKOKJRA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000051
C1=CC=c2c(=NN=1)[nH]cc2	SCHEMBL19619622	131.135	OUGJEVVGMKSRSM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000052
C1=CC=C=Nn2c1ccn2	SCHEMBL19403185	131.135	ISEVRFGEOBNDBX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000053
C1=CC=C=Nn2c1ncc2	SCHEMBL19403184	131.135	HCBFATUKCUAHCL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000054
C1=C=Cn2c(C=C1)cnn2	PC-id_143466266	131.135	SMKLRJSWEUOJBQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000055
C1=C=Cn2c(C=C1)ncn2	PC-id_142933410	131.135	WOPBQNOHBJAISU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000056
C1=C=Cn2c(C=C1)nnc2	PC-id_143195794	131.135	PBKVHJZNMRFXCR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000057
C1=Cn2c(ccn2)C=C=N1	SCHEMBL20229697,PC-id_134578243	131.135	HUVDCMCSZYEHOC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000058
C1=CN=c2c(=CN=1)cc[nH]2	SCHEMBL18744839	131.135	NCXPTTJYKDZDNK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000059
C1=C=Nc2c(C=N1)cc[nH]2	SCHEMBL18935475	131.135	LYHFPOJJJKEMEL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000060
c1cnc2-c(cn1)ncc2	SCHEMBL5321481,PC-id_69404085	131.135	ZGBLZOMESDERBB-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000061
C1=CN=c2c(=CN=1)[nH]cc2	SCHEMBL18949171	131.135	PPGZCUKPGSSYDT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000062
c1cnc2-c(nc1)ccn2	PC-id_139451818,SCHEMBL21315705	131.135	YHILYZJOEGZHPG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000063
c1cnc2-c(nc1)cnc2	PC-id_70388647,SCHEMBL10533104	131.135	ZILRCMHMKGOZJJ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000064
c1ncc2-c(nc1)cnc2	PC-id_20489656,SCHEMBL10964154	131.135	IOJBCUYXCRDSCZ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000065
n1c2-c(cccnn2)cc1	PC-id_85786812	131.135	QHOIKWJJYSTCRQ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000066
n1c2-c(nc1)ccncc2	SCHEMBL3107817,PC-id_68514639	131.135	FXSVRLJPNNSKJV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000067
n1c2-c(nc1)cnccc2	PC-id_85518441	131.135	SWYPMQPBKLOOFY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000068
n1c2-c(ncncc2)cc1	SCHEMBL10402322,PC-id_70359339	131.135	SNYYDMFDIZYUKD-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000069
n1ccc2-c(cc1)cnn2	SCHEMBL2076026,PC-id_67269474	131.135	RMUDBHOUKWNOLH-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000070
N1=C=Cn2c(C=C1)ccn2	SCHEMBL19682137	131.135	XXPZRBMRYCXTKQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000071
N1=C=Cn2c(C=C1)cnc2	SCHEMBL18744883	131.135	PQDFUUBTBYBOEV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000072
n1ncc2-c(nc1)ccc2	PC-id_140392701	131.135	KTEKPHPINCHQRT-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000073
c1ccc2-c(cc1)cc[o+]2	SCHEMBL3149569,PC-id_21097595	131.151	YNOQJZDSYKOAFA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000074
C1=CC=c2c(=CC1)cc[nH]2	PC-id_142049481	131.174	LDCRAPSMPARNHB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000075
C1C=Cc2c(C=C1)[nH]cc2	PC-id_91040961	131.174	UAZBKKZAPCPRGK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000076
C1=CC=c2c(=CC1)[nH]cc2	SCHEMBL18929984	131.174	BFMMNSLGENIODM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000077
C1C=Cn2c(C=C1)ccc2	PC-id_145587025	131.174	UABKNFIZRSBKLA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000078
[nH]1c2c(cc1)C=CC=CC2	PC-id_14339341	131.174	XPJWKEREUQKVPI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000079
[nH]1c2c(CC=CC=C2)cc1	PC-id_57035632	131.174	WLJQCOFVNFZZNU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000080
c1([2H])c(c2-c(ccccc2)c1[2H])[2H]	PC-id_134887537	131.189	CUFNKYGDVFVPHO-WUNMZEPUSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000081
C1=CN=CN=C2C1=CN=N2	PC-id_154204117	132.044	ANNMMHJRDZTDLB-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000082
C1=CN=CN=C2C1=NN=C2	PC-id_164993145	132.044	HDPUNAZFSOHRSV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000083
C1C=CC=CC2=C1OC=C2	PC-id_153122162	132.058	VVBPXKPNLFMBGV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000084
C1C=CC=CC2=NC=CN21	PC-id_153846555	132.069	CIICKFQPYBQLFG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000085
C1=C=Cc2c(C=C1)non2	PC-id_143288845	132.119	MHEHTARRWUBJGF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000086
C1=CC=c2c(=NN=1)cco2	PC-id_134345718,SCHEMBL19970110	132.119	WEWHJNBSORQXJH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000087
C1=CC=c2c(=NN=1)occ2	SCHEMBL18744871	132.119	JOKQNONTLGLTOZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000088
C1=C=CN=Cc2c1ocn2	PC-id_91613252	132.119	MAIYNUKPCUUEBT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000089
C1=CN=c2c(=CN=1)cco2	SCHEMBL18744829	132.119	HGOFLBQBXRGLIY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000090
C1=CN=c2c(=CN=1)occ2	SCHEMBL18949173	132.119	GPSZNYMHRISLSF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000091
c1cc2-c(nnc2)nnc1	PC-id_137200223	132.123	FHDXSKPEMZBWRY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000092
c1cc2-c(nnn2)cnc1	PC-id_137137462	132.123	POQIVEVJTHJEHS-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000093
C1=CC=c2c(=CN=1)[nH]nn2	SCHEMBL18409011	132.123	IHZIKRPDICOKAP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000094
c1ccc2-c(nc1)nnn2	SCHEMBL3118301,PC-id_68518395	132.123	JVCUBYFUMAWSBI-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000095
c1ccc2-c(nn1)cnn2	SCHEMBL869236,PC-id_66823783	132.123	XYEVREOOMFVLLS-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000096
c1ccc2-c(nn1)ncn2	PC-id_66660345,SCHEMBL342964	132.123	BMGXAZCDDYTVFV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000097
C1=CC=c2c(=NN=1)nc[nH]2	SCHEMBL19970111	132.123	KSANQQHNHNQQCQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000098
C1=CC=c2c(=NN=1)[nH]nc2	SCHEMBL18937636	132.123	SMCVZMUTQBJUJD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000099
C1=CC=C=Nn2c1nnc2	SCHEMBL19403186	132.123	XWIDPIMOMDCPFW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000100
C1=CN=c2c(=CN=1)cn[nH]2	SCHEMBL18744840	132.123	BYJKSOXJSIPXQE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000101
C1=C=Nc2c(C=N1)nc[nH]2	SCHEMBL19021811	132.123	DIRQEIWUIFVIHJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000102
C1=CN=c2c(=CN=1)[nH]cn2	SCHEMBL18744833	132.123	CZIPAABUYURVNI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000103
C1=CN=c2c(=CN=1)[nH]nc2	SCHEMBL18744834	132.123	NTULRZQFXUAERX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000104
c1cnc2-c(nc1)cnn2	PC-id_54018476,SCHEMBL21315700	132.123	KXGSGFARGNLGRZ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000105
c1cnncc2-c1nnc2	SCHEMBL20272020,PC-id_135126609	132.123	JAQJOJXZXMYDFO-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000106
c1ncc2-c(cn1)cnn2	PC-id_57453109,SCHEMBL20272021	132.123	FPRUPBHCGXWION-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000107
c1ncc2-c(cn1)ncn2	SCHEMBL5988863,PC-id_23448714	132.123	KXSLWKHDNYXQNS-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000108
c1ncc2-c(nc1)ncn2	SCHEMBL5990636,PC-id_54108970	132.123	NFSSFSUDARPYCE-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000109
c1nnc2-c(nc1)ncc2	SCHEMBL21315707,PC-id_139451820	132.123	DVNCTXJYNLXIAH-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000110
n1c2-c(nc1)ncncc2	PC-id_69627753,SCHEMBL5989213	132.123	BHRUWHZBFNBHRQ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000111
n1ccc2-c(cn1)nnc2	SCHEMBL4509416,PC-id_22281573	132.123	CRHOJTLKLUQJSM-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000112
C1=Cc2cocc2C=CC1	PC-id_143822079	132.159	IQEDSMKTXXSXHE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000113
C1C=Cc2c(C=C1)cco2	PC-id_122417035,SCHEMBL17933516	132.159	WNPQNMYHOTUYEB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000114
C1=CC=c2c(=CC1)cco2	SCHEMBL18560646	132.159	XPDQVDIGYDUGKR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000115
C1=CC=c2c(=CC1)occ2	PC-id_143452944	132.159	NTSHSHDHKUALPS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000116
C1=CC=c2c(=CC1)cn[nH]2	PC-id_143224175	132.163	RVFSKQSSLAULMC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000117
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[nH]1c2c(NC=CN=C2)nc1	PC-id_69628341	134.139	VUJOYBLQWDXDQC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000265
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C1CNc2c(C=C1)cn[nH]2	SCHEMBL15828421,PC-id_136634634	135.166	WLGITPZXYKCXNA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000288
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C1CCc2c(CC1)cc[nH]2	SCHEMBL4065666,PC-id_12332153	135.206	PSWWJFXURJCADQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000290
C1CCn2c(CC1)ccc2	SCHEMBL3022168,PC-id_68483247	135.206	KKOAUCWDCRJJBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000291
[nH]1cc2CCCCCc2c1	PC-id_55300212	135.206	IQRZMDROUZXKPN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000292
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O1C=Cn2c(C=C1)nnn2	PC-id_21525697,SCHEMBL11845371	136.111	FQDCWSJXOXODKU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000296
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C1CCc2n(C=N1)ncn2	PC-id_68900243,SCHEMBL4069593	136.155	UWBQBMLRKPDEEG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000298
c1ccn2-c(cc1)[nH][nH][nH]2	PC-id_68431707,SCHEMBL2895431	136.155	UOUITGOVEQDAEO-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000299
C1C=Nc2c(CN1)[nH]nc2	PC-id_86114408	136.155	OTXHLWBTVUMYRZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000300
C1C=NCNc2c1[nH]cn2	PC-id_91041409	136.155	TUAMHFCYZDOYEB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000301
N1c2nc[nH]c2C=CNC1	PC-id_69867126,SCHEMBL6689797	136.155	MQHIXJNYXBXATJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000302
N1CCc2c(N=C1)nc[nH]2	PC-id_15375741,SCHEMBL2114748	136.155	ZPOIHVRMDOVOAX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000303
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N1NCc2c(C=C1)[nH]cn2	PC-id_22062967,SCHEMBL6069990	136.155	FFTCCGANVJRFNY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000306
C1CCc2c(CC1)cco2	PC-id_12409160,SCHEMBL20721261	136.191	JXARURAWNHZYOC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000307
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C1Cc2c(cc[nH]2)CNC1	SCHEMBL11826056,PC-id_21546101,ZINC22_104603500,MCULE-1210653197,EMOLS-id_313485692	136.194	KZZHROXXGRODGN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000309
c1cc2n(c1)CCCNC2	EMOLS-id_49266901,ZINC22_24532895,MCULE-5345261903,PC-id_20790290,SCHEMBL2733929	136.194	UVJKEFYAXQRWID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000310
C1CCc2c(CN1)[nH]cc2	SCHEMBL4878353,PC-id_58443090	136.194	SYDPVKIJTFWSMJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000311
C1CCc2c(NC1)cc[nH]2	SCHEMBL6321531,PC-id_22561790	136.194	VGVPFVWGOUGSMA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000312
C1CCc2c(NC1)[nH]cc2	PC-id_90244242,SCHEMBL15828430	136.194	MZWIQIIVAFMVNM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000313
C1CCc2c[nH]nc2CC1	SCHEMBL2468336,EMOLS-id_50077130,MCULE-6166951795,PC-id_12200544,EMOLS-id_50077032,ZINC22_38886544	136.194	JDFXGSPUTOGATO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000314
C1CCc2nccn2CC1	SCHEMBL173406,MCULE-8457281567,PC-id_10261149,ZINC22_24532963,EMOLS-id_42767956	136.194	MBVCARRYXQUTLF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000315
C1CCc2nc[nH]c2CC1	SCHEMBL4076784,MCULE-3626857858,ZINC22_5013002,EMOLS-id_42782519,CoCoCo_5527938,PC-id_304262,CoCoCo_5527937,NSC195330,LI_219053	136.194	ZQSTXUPZKIBDJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000316
C1CCn2c(CC1)ccn2	PC-id_66882467,SCHEMBL1029563	136.194	URGKSNYPJIQPSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000317
C1CCn2c(CC1)cnc2	PC-id_66668251,SCHEMBL368471	136.194	PTBUNTYLXOMZLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000318
n12CCNCCc1ccc2	PC-id_45087661	136.194	ZGTLTZNXWXYXSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000319
N1CCc2c(CC1)cc[nH]2	SCHEMBL4288823,PC-id_66264447	136.194	ROOJWWFDEHHUPX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000320
N1CCCc2c(C1)c[nH]c2	PC-id_82593859	136.194	YYJQAVKYVOWGNQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000321
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C1=COc2c(OC1)c[nH]c2	PC-id_68971127,SCHEMBL4241511	137.136	RELQSCNWVCZGCR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000323
C1=CCn2c(CO1)ncn2	SCHEMBL6127218,PC-id_69675677	137.139	VVKRNZIOOKSISK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000324
O1Cn2c(NC=C1)cnc2	PC-id_45087700	137.139	UGYJVEGWJWHHGR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000325
n12c([nH][nH][nH]cc1)cnc2	PC-id_75089134	137.143	UEDZRXNWGFWDNK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000326
c12CNCCCc1occ2	EMOLS-id_50502714,PC-id_12946558,MCULE-8793343673	137.179	INHBEZLAWKRIEI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000327
C1Cc2c(COC1)cc[nH]2	SCHEMBL15828417,PC-id_90244229	137.179	MQNZXRLZXYPRKV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000328
C1Cc2c(COC1)[nH]cc2	SCHEMBL15828434,PC-id_90244246	137.179	GRRSPPZSDVCRMX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000329
C1CCc2c(CC1)cno2	SCHEMBL15828432,PC-id_90244244	137.179	ZNJYZPRZXPUJKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000330
C1CCc2ccc(CN1)o2	SCHEMBL6518380,PC-id_23033075	137.179	NGPBVTQUHFWOBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000331
C1CCc2c(CN1)occ2	PC-id_18377299,SCHEMBL6423927	137.179	YRKLJYRHSRRSMH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000332
C1CCc2c(NC1)cco2	SCHEMBL14181105,PC-id_55252614	137.179	LEMPFEJJOVDFDJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000333
C1CCc2c(NC1)occ2	SCHEMBL14181103,PC-id_59710011	137.179	AXUDNQYWPLDGMU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000334
N1CCc2c(CC1)cco2	SCHEMBL982394,PC-id_18377311	137.179	ZFSYBODWGHEZST-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000335
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c12NCCCCc1[nH]nc2	PC-id_23119980,EMOLS-id_177873402,MCULE-9980701528,SCHEMBL15828409,ZINC22_59593593	137.182	LUNMEOLBPBIBMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000337
C1Cc2c(c[nH]n2)CNC1	EMOLS-id_84831695,ZINC22_82410741,MCULE-2912748367,PC-id_55286572,SCHEMBL3152439,EMOLS-id_313730934	137.182	AIUMEPRKJIXLOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000338
C1Cc2cncn2CCN1	EMOLS-id_43450385,SCHEMBL343286,PC-id_54772421,ZINC22_24532926,MCULE-4448587942	137.182	HZQOQEVJEPNUOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000339
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C1Cc2nccn2CCN1	EMOLS-id_43215246,MCULE-9910403335,SCHEMBL4073713,ZINC22_24532965,PC-id_68901720	137.182	SURHWLZWEACCGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000341
C1Cc2nc[nH]c2CCN1	SCHEMBL550173,MCULE-9125150182,EMOLS-id_44760219,ZINC22_95635494,PC-id_21919263	137.182	YGGJYQPWXRLNBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000342
c1cc2n(n1)CCCNC2	EMOLS-id_68863893,MCULE-4236137105,SCHEMBL16102213,ZINC22_24533039,PC-id_55277027	137.182	WBYKOBVKGFBQMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000343
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C1CCc2c(NC1)nc[nH]2	PC-id_138961418	137.182	XIKVJZOLNXTOFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000345
C1CCc2c(NC1)[nH]nc2	PC-id_136640205,SCHEMBL15814733	137.182	WRKPRBAWLVAIOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000346
C1CCc2n(CN1)ccn2	PC-id_68899365,SCHEMBL4067122	137.182	ABYDLAOLLGNIDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000347
C1CCc2nncn2CC1	MCULE-6842203924,SCHEMBL2393815,PC-id_67390750,EMOLS-id_324798986	137.182	FXCXNYOEQRAMPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000348
C1CCc2nnn(CC1)c2	PC-id_59565927,SCHEMBL13040207	137.182	VJHZCTVHJRXLEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000349
C1CCn2c(CC1)cnn2	SCHEMBL13040203,PC-id_59565937	137.182	QNQQTCLRADKVJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000350
C1CCn2c(CC1)ncn2	PC-id_15496062,SCHEMBL4070755	137.182	AKRJUOQZWQVALE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000351
C1CCn2cncc2NC1	PC-id_90244264,SCHEMBL15828453	137.182	HQMBREXLSUZZKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000352
C1CCn2nccc2NC1	EMOLS-id_337813667	137.182	SFFJRECNGUGBGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000353
c1cn2c(n1)CNCCC2	MCULE-3847504814,EMOLS-id_68863905,ZINC22_24532969,SCHEMBL4068518,PC-id_55276904	137.182	MSGXSUOARVWIGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000354
C1CNc2c(CN1)cc[nH]2	PC-id_90244259,SCHEMBL15828448	137.182	XXWCDRUCCJUYSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000355
C1CNc2c(CN1)[nH]cc2	SCHEMBL6519453,PC-id_23033080	137.182	NUTZHOBNNJZIHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000356
C1CNCc2[nH]cnc2C1	EMOLS-id_337725055,PC-id_83670444	137.182	KMKPXXDHGLTEMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000357
C1CNCc2[nH]ncc2C1	EMOLS-id_320409612,SCHEMBL4823795,MCULE-7377286349,PC-id_69204872	137.182	PTXSURLTHZHRAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000358
C1NCc2ccc(NC1)[nH]2	PC-id_23033087,SCHEMBL6515654	137.182	BWYCAXBSZOMBSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000359
c1ncn2c1CNCCC2	PC-id_51643684,SCHEMBL368146,ZINC22_24532930,MCULE-1042606481	137.182	ROBUFWGBHVMREY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000360
n12nccc1CCNCC2	MCULE-8486781843,PC-id_83872263	137.182	WVUQFSQJMFLEHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000361
[n+]12CCCCCc1[nH]cc2	PC-id_51643685	137.202	MBVCARRYXQUTLF-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-000362
C1CC2=C(C=CO2)NNC1	PC-id_165094926	138.079	XIHGWSTYQZJZRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000363
C1Nc2nncn2NC=N1	PC-id_137240281	138.131	GVSKZLUBQOOKSQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000364
C1Cc2c(COC1)[nH]nc2	SCHEMBL15828445,PC-id_90244256	138.167	CFDJUEJOPZHEMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000365
C1CCc2c(CN1)cno2	PC-id_22163571,SCHEMBL10458506	138.167	KKPOQTHOGPXWOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000366
C1CCc2c(CN1)nco2	PC-id_66705959,SCHEMBL503315	138.167	QVGYBVAKILCVRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000367
C1CCc2c(CN1)ocn2	SCHEMBL505323,PC-id_66706245	138.167	GCJRJBXRNAIMAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000368
C1CCc2c(CN1)onc2	SCHEMBL3566064,PC-id_68694121	138.167	JAUCNRWNTGMQIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000369
C1CCc2c(NC1)cno2	PC-id_83678989,SCHEMBL15828457	138.167	UJMOEPJLVCMPST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000370
C1CCc2c(NC1)nco2	SCHEMBL542149,PC-id_66720433	138.167	WKEWRPLEGSJHOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000371
C1CCc2c(NC1)ocn2	PC-id_68736189,SCHEMBL3665840	138.167	NKMLZXSDKSXGRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000372
C1CCc2c(NC1)onc2	PC-id_136634641,SCHEMBL15828458	138.167	KBJYTTWXYDDMER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000373
C1CCOc2ccnn2C1	PC-id_135241533,SCHEMBL20400737	138.167	DCURSKWHYCGTQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000374
C1CNc2c(CN1)occ2	PC-id_69808587,SCHEMBL6515035	138.167	PTPDGXBYCQJKHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000375
C1CNc2c(CO1)cc[nH]2	SCHEMBL15828449,PC-id_90244260	138.167	XQKLKMBVAXOPEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000376
C1CNc2c(CO1)[nH]cc2	SCHEMBL15828447,PC-id_90244258	138.167	FSLZNDQFASCAEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000377
C1COc2n(CC1)cnc2	PC-id_142514385	138.167	UWJNAGZVOARTKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000378
C1COCc2c[nH]nc2C1	SCHEMBL15828446,PC-id_90244257,EMOLS-id_324007846	138.167	JXJDTUYDILAIHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000379
C1NCc2ccc(NC1)o2	PC-id_23033074,SCHEMBL6510967	138.167	HDXBJBNPFQDMBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000380
C1OCc2n(CC1)cnc2	PC-id_66667947,SCHEMBL367352	138.167	QVCGDXCIHAAZBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000381
N1CCc2c(CC1)con2	SCHEMBL396123,PC-id_55300570	138.167	OXXHNJRHJMJNPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000382
N1CCc2c(CC1)nco2	SCHEMBL504819,PC-id_57218212	138.167	OWDYXIFFWAQPLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000383
O1CCc2c(CC1)cn[nH]2	PC-id_142458424	138.167	OMUYJANIENTZLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000384
O1CCn2c(CC1)ccn2	PC-id_142514441	138.167	WJLFLZWGHOEFAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000385
O1CCn2c(CC1)cnc2	PC-id_66668387,SCHEMBL368832	138.167	GHZDRUIEHSOAFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000386
o1ncc2CCNCCc12	PC-id_82418475	138.167	SJKFBQHKNXFVDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000387
C1Cc2nncn2CCN1	MCULE-4555822157,ZINC22_20441420,EMOLS-id_49433437,PC-id_72212994	138.17	YSZKHHSJJRXSNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000388
C1CCc2n(CN1)ncn2	PC-id_68899054,SCHEMBL4066286	138.17	POGBSRPFOUJSDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000389
CC1=C=Cc2c(C=C1)[nH]cc2	SCHEMBL21350030	143.185	FSGHGVHXCUZYDH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000466
C1CNc2c(CN1)cn[nH]2	PC-id_136634638,SCHEMBL15828442	138.17	QLWHBXSMXTXDRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000390
C1CNc2c(CN1)[nH]nc2	PC-id_90244217,SCHEMBL15828404	138.17	NVJWVVQAILNIIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000391
C1CNc2n(CC1)cnn2	PC-id_143095294	138.17	ZKKJDDUNIIAZLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000392
C1CNCc2cnnn2C1	EMOLS-id_301061491,PC-id_86775258,MCULE-3837801472	138.17	LLFGXZAZFFCZBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000393
C1CNCc2ncnn2C1	PC-id_68900615,EMOLS-id_195231674,SCHEMBL4070710	138.17	CAOYNYOBIXURST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000394
C1NCc2n(CC1)cnn2	SCHEMBL19866137,PC-id_14180504,EMOLS-id_96323659	138.17	WSCUAIXTOAYBPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000395
C1NCn2c(CN1)ncc2	PC-id_68900933,SCHEMBL4071580	138.17	SJGPNKNNXAVVLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000396
n12ncnc1CCNCC2	PC-id_68902444,SCHEMBL4075589	138.17	AUPDKEAVVNFUSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000397
N1CCc2n[nH]nc2CC1	PC-id_55279305	138.17	FDWZIYHLQHUERI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000398
N1CCCc2n[nH]nc2C1	PC-id_84648344	138.17	IYFGCMGGTCPGSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000399
C1CCc2nnnn2CC1	ChEMBL-DNDi_CHEMBL92124989,KG-id_D07409,SD002953,NSC66489,ZINC22_1905,DC-id_3428,HMDB0256296,CK1008060,PD000044,EMOLS-id_593721,Chemmine_53930,NSC5729,PC-id_5917,ChEMBL-DNDi_CHEMBL121362660,SPECS-id_AS-970/QB05019,TIMTEC112092,ChEMBL-DNDi_CHEMBL92308148,SCHEMBL22674,CHEMBL116943,CNP0341676,MCULE-7519359961,DB13415,CHEBI:34910,CoCoCo_5293406	138.174	CWRVKFFCRWGWCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000400
[2H]C1CCCCn2c1ncn2	SCHEMBL18501319	138.189	AKRJUOQZWQVALE-QYKNYGDISA-N	00000000100000000101000000000010000000000000000000000000	31-01-000401
[2H]C1CCCCn2c1nnc2	SCHEMBL16253519,PC-id_117709807	138.189	FXCXNYOEQRAMPJ-QYKNYGDISA-N	00000000100000000101000000000010000000000000000000000000	31-01-000402
[2H]C1CCn2c(CC1)ncn2	SCHEMBL18501358	138.189	AKRJUOQZWQVALE-MICDWDOJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000403
[2H]C1CCn2c(CC1)nnc2	SCHEMBL16253565,PC-id_117709852	138.189	FXCXNYOEQRAMPJ-MICDWDOJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000404
[NH2+]1CCCn2c(C1)cnc2	PC-id_51643683	138.19	ROBUFWGBHVMREY-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-000405
C1Cc2c(COC1)cno2	PC-id_90244231,SCHEMBL15828419	139.152	CTHVJFAMBZRGCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000406
C1CCc2c(OO1)c[nH]c2	SCHEMBL182312,PC-id_22672955	139.152	GXCJECDHAWTAKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000407
C1COc2c[nH]cc2OC1	ZINC22_43681900,MCULE-5995666963,SCHEMBL182313,PC-id_16217853,EMOLS-id_526879	139.152	AURPDCSZNCSKNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000408
C1COn2c(OC1)ccc2	PC-id_143335406	139.152	GGIUWJPXQXIFHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000409
C1CNc2c(CN1)cno2	PC-id_136634633,SCHEMBL15828420	139.155	VHHGZEWXIQZXLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000410
C1CNc2c(CN1)onc2	PC-id_23033084,SCHEMBL6510549	139.155	HSIFWBBWHKPRJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000411
C1CNc2c(CO1)cn[nH]2	SCHEMBL15828452,PC-id_136634640	139.155	QZKGHLPYDGYEGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000412
C1CNc2c(CO1)[nH]nc2	SCHEMBL15828408,PC-id_90244221	139.155	FNGUVZWSTXFFSN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000413
C1COc2c(CN1)[nH]nc2	PC-id_139391900,SCHEMBL21247795	139.155	VNFVMVIBKSWUPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000414
C1Cc2nnnn2CCN1	ZINC22_24533137,PC-id_83872310	139.158	KNETVFGCEWBYSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000415
C1NCn2c(CN1)ncn2	SCHEMBL4069678,PC-id_68900261	139.158	DOLNWXDOGQRXGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000416
n12nnnc1CNCCC2	PC-id_83672208	139.158	CXQOVMBQIMNZEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000417
[2H]C1([2H])CCCc2n(C1)cnn2	SCHEMBL18501324	139.195	FXCXNYOEQRAMPJ-SMZGMGDZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000418
[2H]C1([2H])CCCc2n(C1)ncn2	SCHEMBL16253568,PC-id_117709855	139.195	AKRJUOQZWQVALE-SMZGMGDZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000419
[2H]C1([2H])CCCCc2n1cnn2	SCHEMBL18501338	139.195	FXCXNYOEQRAMPJ-BFWBPSQCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000420
[2H]C1([2H])CCCCc2n1ncn2	SCHEMBL16253555,PC-id_117709842	139.195	AKRJUOQZWQVALE-BFWBPSQCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000421
[2H]C1([2H])CCCCn2c1ncn2	SCHEMBL18501359	139.195	AKRJUOQZWQVALE-APZFVMQVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000422
[2H]C1([2H])CCCCn2c1nnc2	SCHEMBL16253536,PC-id_117709824	139.195	FXCXNYOEQRAMPJ-APZFVMQVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000423
[2H]C1([2H])CCCn2c(C1)ncn2	PC-id_117709812,SCHEMBL16253524	139.195	AKRJUOQZWQVALE-CBTSVUPCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000424
[2H]C1([2H])CCCn2c(C1)nnc2	SCHEMBL18501325	139.195	FXCXNYOEQRAMPJ-CBTSVUPCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000425
C1CNc2c(CO1)cno2	SCHEMBL15828450,PC-id_136634639	140.14	GQMQHBRIXOAYQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000426
O1CCc2c(OC1)[nH]nc2	SCHEMBL4948972,PC-id_69252775	140.14	UDVWLYSKAQQNTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000427
C1CNc2nonc2CN1	PC-id_136305583	140.143	FGWOQCGCGFYMEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000428
[CH+]=c1cc[c-]2c1=CC=CC=C2	PC-id_102580243	140.181	KXBOZQGLPFSZCN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000429
[2H]C1([2H])CCn2c(CC1)nnn2	PC-id_117709809,SCHEMBL16253521	140.183	CWRVKFFCRWGWCS-DICFDUPASA-N	00000000100000000101000000000010000000000000000000000000	31-01-000430
[c+]12-c(ccc1)cccccc2	PC-id_86209522	141.189	NAICVAVRZKCKJT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000431
[2H]C1([2H])CCc2n(C(C1)([2H])[2H])cnn2	SCHEMBL18501332	141.207	FXCXNYOEQRAMPJ-QEOHIWEKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000432
[2H]C1([2H])CCc2n(CC1([2H])[2H])cnn2	SCHEMBL18501335	141.207	FXCXNYOEQRAMPJ-VEPVEJTGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000433
[2H]C1([2H])CCc2n(CC1([2H])[2H])ncn2	PC-id_117709814,SCHEMBL16253526	141.207	AKRJUOQZWQVALE-VEPVEJTGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000434
[2H]C1([2H])CCc2n(C(C1)([2H])[2H])ncn2	SCHEMBL16253566,PC-id_117709853	141.207	AKRJUOQZWQVALE-QEOHIWEKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000435
[2H]C1([2H])CCCc2n(C1([2H])[2H])cnn2	SCHEMBL18501353	141.207	FXCXNYOEQRAMPJ-JAJFWILCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000436
[2H]C1([2H])CCCc2n(C1([2H])[2H])ncn2	SCHEMBL16253530,PC-id_117709818	141.207	AKRJUOQZWQVALE-JAJFWILCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000437
[2H]C1([2H])CCC(c2n(C1)ncn2)([2H])[2H]	SCHEMBL16253539,PC-id_117709827	141.207	AKRJUOQZWQVALE-KHORGVISSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000438
[2H]C1([2H])CCCC(c2n1cnn2)([2H])[2H]	SCHEMBL16253522,PC-id_117709810	141.207	FXCXNYOEQRAMPJ-CQOLUAMGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000439
[2H]C1([2H])CCCC(c2n1ncn2)([2H])[2H]	SCHEMBL18501321	141.207	AKRJUOQZWQVALE-CQOLUAMGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000440
[2H]C1([2H])CCCn2c(C1([2H])[2H])ncn2	SCHEMBL16253553,PC-id_117709840	141.207	AKRJUOQZWQVALE-BYUTVXSXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000441
[2H]C1([2H])CCCn2c(C1([2H])[2H])nnc2	SCHEMBL18501323	141.207	FXCXNYOEQRAMPJ-BYUTVXSXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000442
[2H]C1([2H])CCC(n2c(C1)ncn2)([2H])[2H]	PC-id_117709820,SCHEMBL16253532	141.207	AKRJUOQZWQVALE-CNNQADKRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000443
[2H]C1([2H])CCC(n2c(C1)nnc2)([2H])[2H]	SCHEMBL18501329	141.207	FXCXNYOEQRAMPJ-CNNQADKRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000444
[2H]C1([2H])CCn2c(CC1([2H])[2H])ncn2	PC-id_117709813,SCHEMBL16253525	141.207	AKRJUOQZWQVALE-LNLMKGTHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000445
[2H]C1([2H])CCn2c(C(C1)([2H])[2H])ncn2	SCHEMBL16253531,PC-id_117709819	141.207	AKRJUOQZWQVALE-RUKOHJPDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000446
[2H]C1([2H])CCn2c(CC1([2H])[2H])nnc2	SCHEMBL18501334	141.207	FXCXNYOEQRAMPJ-LNLMKGTHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000447
[2H]C1([2H])Cn2cnnc2CC(C1)([2H])[2H]	SCHEMBL18501362	141.207	FXCXNYOEQRAMPJ-RRVWJQJTSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000448
[2H]C1([2H])Cn2ncnc2CC(C1)([2H])[2H]	PC-id_117709856,SCHEMBL16253569	141.207	AKRJUOQZWQVALE-RRVWJQJTSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000449
C1OCc2nonc2CO1	ZINC22_409018881	142.113	XWKXEHSXFLYHEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000450
[nH]1ncc2c1C=CC#CC=C2	PC-id_85733690	142.157	JIZFCQVJBJRKRG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000451
[2H]C1([2H])CCC(c2n(C1)nnn2)([2H])[2H]	SCHEMBL18501328	142.195	CWRVKFFCRWGWCS-KHORGVISSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000452
[2H]C1([2H])CCCC(c2n1nnn2)([2H])[2H]	SCHEMBL16253551,PC-id_71467858	142.195	CWRVKFFCRWGWCS-CQOLUAMGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000453
[2H]C1([2H])CCn2c(C(C1)([2H])[2H])nnn2	SCHEMBL18501333	142.195	CWRVKFFCRWGWCS-RUKOHJPDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000454
c12-c(ccc1)cccc(c2)C	PC-id_137140	142.197	RGZLGZNMQMWYIM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000455
c12-c(ccc1)ccccc2C	PC-id_140263	142.197	RVJUDUADOMIBMH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000456
c12-c(cc(c1)C)ccccc2	PC-id_11126379,EMOLS-id_44469348	142.197	ZRCFBHGCJAIXIH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000457
c12-c(ccc1C)ccccc2	PC-id_136611	142.197	WSQIUQGZWDQMEL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000458
c12-c(ccc(cc1)C)ccc2	PC-id_137139,MCULE-5753433452,EMOLS-id_921900	142.197	ZEQVWDSVAGZQEU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000459
C1=CC=CC2=CNC=C2C=C1	PC-id_148242531	143.073	QMYZOWQLPOHZRG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000460
CC1=CNC2=C1C=CCC#C2	PC-id_163558821	143.073	FPKVCCXHPLBWKW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000461
c1cc2-c(cc(ccc2)N)c1	PC-id_91576256	143.185	RWZBNIUZXPXNOR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000462
C1=CC=c2c(=CC=C1)cc[nH]2	PC-id_137214849,SCHEMBL19265025	143.185	QGMKSFJESLHFDH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000463
C1=CC=Cc2n(C=C1)ccc2	PC-id_22149034,SCHEMBL5832317,SCHEMBL5832319	143.185	GNJJANNAHOJZGD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000464
Cc1cc2-c(n1)ccccc2	PC-id_101028899	143.185	IANMFOWLXRTRLK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000465
C1=CC=Cc2cocc2C=C1	PC-id_90471312	144.17	OTLHJYDACXBCBL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000493
Cc1cnc2-c1ccccc2	SCHEMBL13139736,PC-id_57833844	143.185	PDCZJDCHZHVGSD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000467
Cn1ccc2c1C=CC=C=C2	PC-id_142872856	143.185	FZRJTZITSQEMBK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000468
n1c2-c(cc(ccc2)C)cc1	PC-id_18917836	143.185	SABVVGBQDPPIQL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000469
Nc1c2-c(cc1)ccccc2	SCHEMBL222821,PC-id_15562661	143.185	ALZUBQQDOOIRIN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000470
Nc1c2-c(ccc2)cccc1	PC-id_17855254	143.185	KMLBXPLBQSPIQA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000471
Nc1cc2-c(ccccc2)c1	EMOLS-id_44469360,SCHEMBL14396437,ZINC22_33797214,PC-id_5243928,MCULE-5141867858	143.185	URSBMMUQJIMLKA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000472
Nc1ccc2-c(cc1)ccc2	PC-id_11286530,SCHEMBL14396439	143.185	WZYYXUMGJQJMMX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000473
CC1C=CC=Cc2[c-]1ccc2	PC-id_101709480	143.205	VVVAHFBGVPEIOI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000474
[2H]C1([2H])C([2H])([2H])Cc2n(CC1([2H])[2H])cnn2	PC-id_117709851,SCHEMBL16253564	143.219	FXCXNYOEQRAMPJ-NMFSSPJFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000475
[2H]C1([2H])C([2H])([2H])Cc2n(CC1([2H])[2H])ncn2	SCHEMBL18501322	143.219	AKRJUOQZWQVALE-NMFSSPJFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000476
[2H]C1([2H])CC([2H])([2H])n2c(CC1([2H])[2H])ncn2	PC-id_117709811,SCHEMBL16253523	143.219	AKRJUOQZWQVALE-UVAOVGKSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000477
[2H]C1([2H])CC([2H])([2H])n2c(C(C1)([2H])[2H])ncn2	SCHEMBL18501320	143.219	AKRJUOQZWQVALE-CNGVIXCCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000478
[2H]C1([2H])CC([2H])([2H])n2c(C(C1)([2H])[2H])nnc2	SCHEMBL16253520,PC-id_117709808	143.219	FXCXNYOEQRAMPJ-CNGVIXCCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000479
[2H]C1([2H])CC([2H])([2H])n2c(CC1([2H])[2H])nnc2	SCHEMBL18501331	143.219	FXCXNYOEQRAMPJ-UVAOVGKSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000480
[2H]C1([2H])CCc2n(C(C1([2H])[2H])([2H])[2H])cnn2	SCHEMBL18501326	143.219	FXCXNYOEQRAMPJ-LMDAQXSJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000481
[2H]C1([2H])CCc2n(C(C1([2H])[2H])([2H])[2H])ncn2	PC-id_117709826,SCHEMBL16253538	143.219	AKRJUOQZWQVALE-LMDAQXSJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000482
[2H]C1([2H])CCC(C(c2n1cnn2)([2H])[2H])([2H])[2H]	SCHEMBL18501330	143.219	FXCXNYOEQRAMPJ-IXCOSKQRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000483
[2H]C1([2H])CCC(C(c2n1ncn2)([2H])[2H])([2H])[2H]	PC-id_117709843,SCHEMBL16253556	143.219	AKRJUOQZWQVALE-IXCOSKQRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000484
[2H]C1([2H])CCn2c(C(C1([2H])[2H])([2H])[2H])ncn2	SCHEMBL16253529,PC-id_117709817	143.219	AKRJUOQZWQVALE-JGTMQTSBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000485
[2H]C1([2H])CCn2c(C(C1([2H])[2H])([2H])[2H])nnc2	SCHEMBL18501327	143.219	FXCXNYOEQRAMPJ-JGTMQTSBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000486
[2H]C1([2H])Cn2cnnc2C(C(C1)([2H])[2H])([2H])[2H]	SCHEMBL18501349	143.219	FXCXNYOEQRAMPJ-PWDWWLAZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000487
[2H]C1([2H])Cn2ncnc2C(C(C1)([2H])[2H])([2H])[2H]	PC-id_117709815,SCHEMBL16253527	143.219	AKRJUOQZWQVALE-PWDWWLAZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000488
C1=CC2=CC=C(N=CC2=C1)N	PC-id_154220616	144.069	IDANASSHJHQACW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000489
C1=CC=CN2C=NC=C2C=C1	PC-id_153862239	144.069	KPPMQDRZEQYGJP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000490
O=C1C=C=C=Cc2c1nc[nH]2	PC-id_139627838	144.13	WMCZFLQVEMAZJJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000491
C1=CC=c2c(=CC=C1)cco2	PC-id_145264454	144.17	XQMDNEDJXGACSQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000492
Cc1cc2=CC=C=CC=c2o1	PC-id_145297025	144.17	BIMUJCYJLHKODC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000494
Cc1cc2c(o1)C=C=CC=C2	PC-id_143169667	144.17	QFCCFOJYRNZTNK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000495
CC1=C=CC=c2c(=C1)cco2	PC-id_142154249	144.17	JJAATZNZMMJEBC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000496
Oc1c2-c(cc1)ccccc2	PC-id_14446361,SCHEMBL219224	144.17	VETGQECQXHDROF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000497
Oc1c2-c(ccc2)cccc1	PC-id_22376724,SCHEMBL8481452	144.17	IKTRNOZMSJUISH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000498
Oc1cc2-c(ccc2)ccc1	PC-id_18941432,SCHEMBL8050006	144.17	AUYBVETXDWMJAT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000499
Oc1cc2-c(ccccc2)c1	SCHEMBL4895266,PC-id_11788361,EMOLS-id_337427665	144.17	RKMKWDVUTHKNMU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000500
Oc1ccc2-c(cc1)ccc2	SCHEMBL10338169,PC-id_12858519	144.17	TZBQERHEBGPWDK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000501
C1=CC=c2c(=NC=C1)cc[nH]2	PC-id_137224559	144.173	FMPDTCYKQMFRFE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000502
C1=CC=Cc2c(C=C1)[nH]cn2	PC-id_137156246	144.173	ZCEBQBLAXVRAFG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000503
C1=CC=Cc2c(C=C1)n[nH]c2	SCHEMBL3519596	144.173	GPRLUZMQXAIJFJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000504
c1cc(=N)ccc2c1cc[nH]2	PC-id_137010357	144.173	ZTKVUGQHDAPTTC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000505
Cn1ccc2c1C=CC=C=N2	SCHEMBL18642858	144.173	DQWYPEFOFMLYNM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000506
Cn1ccc2c1N=C=CC=C2	SCHEMBL18642777	144.173	OWVYNPLSBPQSPY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000507
n1c2-c(cc1N)ccccc2	PC-id_11137285	144.173	TWGPVJJABHHVAJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000508
n1c2-c(nc1C)ccccc2	PC-id_67737329	144.173	ONPVXGYHRGTRRK-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000509
NC1=CC=c2c(=C=C1)cc[nH]2	SCHEMBL17067690	144.173	UIGWVLUCJFRHBA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000510
[nH]1c2c(cc1)C=CC=NC=C2	PC-id_71361481	144.173	LHVDBYUBKHUSBF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000511
[2H]C1([2H])CC([2H])([2H])n2c(C(C1)([2H])[2H])nnn2	SCHEMBL16253583,PC-id_71467859	144.207	CWRVKFFCRWGWCS-CNGVIXCCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000512
n12nnnc1CC(C(C(C2)([2H])[2H])([2H])[2H])([2H])[2H]	PC-id_71751491	144.207	CWRVKFFCRWGWCS-NMFSSPJFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000513
s1c2c(cc1)C=C[B]C=C2	PC-id_55296949	145.009	GBAGDDMKRWXRNF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000514
s1cc2c(c1)C=C[B]C=C2	PC-id_55296950	145.009	PXNLTRSZNAAJRN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000515
C1=CC2=C(C=CN2)C(=O)C=C1	PC-id_164004630	145.053	ULXUBOSYEGUHRM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000516
C1=CC2=C(C=CN2)N=NC=C1	PC-id_136444932,PC-id_148242532	145.064	ZAJWIRNSGBHCHE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000517
C1=CC2=CN=C(N=CC2=C1)N	PC-id_154328664	145.064	PHAKQDXACWHTLE-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000518
C1=CC(=C2C1=CN=CN=C2)N	PC-id_153858502	145.064	WCRJSDQJENWFFI-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000519
Cc1cn2CC#CC=Nc2n1	PC-id_163740247	145.064	LHCQYULDFYWBPH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000520
Cc1nnc2-c1ccccn2	PC-id_163598937	145.064	TTWUMELHFSIPCB-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000521
c1ccc2-c([nH]c(=O)c2)cc1	PC-id_12199603,SCHEMBL3730707,MCULE-4026892267	145.158	ZXPAGXNMNWIWFD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000523
C1=CC=Cc2c(C=C1)onc2	PC-id_141313496	145.158	ZICMQHXZCNDOJD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000524
Cc1cc2c(o1)C=NC=C=C2	PC-id_142065800	145.158	RPQFRKGSYZBDKF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000525
Cc1nc2c(o1)C=CC=C=C2	PC-id_143028075	145.158	RCXCLUQSHQOEAO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000526
O=c1c2=c(cc1)cccc[nH]2	PC-id_67117580,SCHEMBL1674792	145.158	KCMPCYSXYDCHLT-UHFFFAOYSA-N	00000001100000000110000000000010000000000000000000000000	31-01-000527
O=c1c2-n(cc1)ccccc2	SCHEMBL10514879,PC-id_70383867	145.158	INWVIIWFUPGMTG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000528
O=c1c2n(ccc2)cccc1	SCHEMBL10514874,PC-id_12422656	145.158	XZKZNJDFPZNHSV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000529
O=c1c2[nH]ccc2cccc1	PC-id_55288176	145.158	SHKWEMQKZJJLCC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000530
O=c1ccccc2n1ccc2	PC-id_10997168,SCHEMBL9900893	145.158	HYYOGUONRBRYJQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000531
O=c1ccn2c(ccc2)cc1	PC-id_12909361	145.158	FZJAZGANDXSBKF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000532
O=c1n2-c(cc1)ccccc2	PC-id_13925872	145.158	WNTKRCCSBAOKKI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000533
O=c1[nH]cc2-c1ccccc2	PC-id_141359416	145.158	ILXCAPNAPIRSPT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000534
[O-][n+]1c2-c(ccc2)cccc1	PC-id_13486336	145.158	LQJUTLRJJDYCNS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000535
c1cc2c(ccc1=N)nc[nH]2	PC-id_136117241	145.161	SPCTYVKSCWFEKN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000536
c1cc2c(c(=N)cc1)nc[nH]2	PC-id_136229069	145.161	HOQGVOWVSMUOKD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000537
C1=Cc2c[nH]nc2C=CN=C1	PC-id_136404546,SCHEMBL2075284	145.161	IMYQACPPPGOMTJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000538
C1=Cc2n[nH]cc2C=CN=C1	PC-id_136404550,SCHEMBL2076511	145.161	DDOICXKERLOVJK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000539
C1=CC=Cc2c(C=C1)[nH]nn2	PC-id_87781155,SCHEMBL5111617	145.161	UNKNDMHCDKTHIV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000540
C1=CC=Cn2c(cnn2)C=C1	PC-id_91143004	145.161	XUIUQPILEBITCZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000541
c1cc(=N)cc2c(c1)nc[nH]2	PC-id_136203109	145.161	CHTDZDODLWVRAY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000542
Cc1cc2c([nH]1)N=CN=C=C2	SCHEMBL19737489	145.161	JGBLNVKYMKUJML-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000543
CC1=C=Cn2c(C=C1)ncn2	PC-id_143498503	145.161	CHANYYPPDVHBFK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000544
Cc1nc2-c(ccncn2)c1	PC-id_137251434	145.161	SAUJBQVLRJSZQD-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000545
Cc1nnc2n1C=C=CC=C2	PC-id_144708006	145.161	YGXIUPBGZFYRJS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000546
Cn1ccc2c1N=C=CN=C2	SCHEMBL18642776	145.161	HWWHPIAXCFHTEM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000547
Cn1ccc2=CN=C=CN=c12	SCHEMBL18935477	145.161	OHKRLBYKLLJMFU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000548
n12c(ccc1)C=CC=NN=C2	PC-id_57376316	145.161	SFBXATBJBGMDGX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000549
n1c2-c(nc1)ccccc2N	PC-id_53440150	145.161	WRCQJXIUALYTNZ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000550
n1c2-c(nc1)cccc(N)c2	PC-id_55290035	145.161	YAODTABSMVNLHR-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000551
n1c2-c(nc1)ccc(N)cc2	PC-id_53438474	145.161	OSVUAIOICBRLRF-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000552
n1c2-c(nc1N)ccccc2	PC-id_5243925,SCHEMBL9443413	145.161	XZMXYKSOWURFMX-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000553
CC1C=Cc2c(C=C1)c[n-]n2	PC-id_144774899	145.181	UHKOAJFSXWZDBB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000554
[n+]1(c2-c(nc1)ccccc2)C	PC-id_15123042	145.181	GBRHCGANDOJZKW-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000555
C1#CCCc2c(CC1)c[nH]c2	PC-id_138968947	145.201	XXSLKWGPZMQHDW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000556
CC1=c2cc[nH]c2=CC=CC1	PC-id_143053691	145.201	ZTZBRZPLVMYSID-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000557
CC1=c2[nH]ccc2=CCC=C1	PC-id_142246409	145.201	FZRQNRGZPPQLJA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000558
CC1=Cc2c(C=CC1)[nH]cc2	PC-id_91492525	145.201	JGUVHSNRZUDFHR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000559
Cc1cc2=CC=CCC=c2[nH]1	PC-id_141790738	145.201	KGGCZQPZDYTFIQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000560
Cc1cc2c([nH]1)CC=CC=C2	PC-id_141947660	145.201	VAUIYIRVVBDPPK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000561
Cc1cc2c([nH]1)C=CC=CC2	PC-id_144540172	145.201	JGTDWOQBJUFAMA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000562
CC1C=Cc2c(C=C1)cc[nH]2	PC-id_142801637	145.201	HZCIZTYINIGCPY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000563
CC1=CC=c2c(=CC1)cc[nH]2	SCHEMBL16283110,PC-id_117731939	145.201	ZWZQHKKONPDDPV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000564
CC1=CC=c2c(=CC1)[nH]cc2	PC-id_142097470	145.201	NBSKUIGYSDRHHH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000565
CC1=CCC=c2c(=C1)cc[nH]2	PC-id_137427595,SCHEMBL20663292	145.201	UIIKQPYQZFDBNN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000566
CC1C=CC=c2c(=C1)cc[nH]2	PC-id_89318841,SCHEMBL14381166	145.201	IIAZNVJTNGNXGS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000567
CC1C=CC=c2c(=C1)[nH]cc2	PC-id_143950048	145.201	XTXDQOZACWLMMP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000568
Cc1cn2c(c1)C=CC=CC2	PC-id_144569079	145.201	WZSNUINRSYFQSZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000569
Cc1c[nH]c2c1C=CCC=C2	PC-id_142088690	145.201	XOKDJEQCYCKQCE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000570
Cc1c[nH]c2c1CC=CC=C2	PC-id_142088741	145.201	PAVBPLAHWHVLQY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000571
Cc1c[nH]c2c1C=CC=CC2	PC-id_143592907	145.201	GIKUKGUDTCAWFO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000572
Cn1ccc2c1CC=CC=C2	PC-id_143030323	145.201	UDHDDBJQSKGWNU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000573
Cn1ccc2c1C=CCC=C2	PC-id_144249329	145.201	SAHBSEDRRFSMTK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000574
[2H]C1([2H])CC([2H])([2H])C(C(c2n1cnn2)([2H])[2H])([2H])[2H]	SCHEMBL18501364	145.232	FXCXNYOEQRAMPJ-YPKJOVNCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000575
[2H]C1([2H])CC([2H])([2H])C(C(c2n1ncn2)([2H])[2H])([2H])[2H]	SCHEMBL16253537,PC-id_117709825	145.232	AKRJUOQZWQVALE-YPKJOVNCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000576
[2H]C1([2H])Cc2ncnn2C(C(C1([2H])[2H])([2H])[2H])([2H])[2H]	PC-id_117709841,SCHEMBL16253554	145.232	AKRJUOQZWQVALE-PYNBLEGVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000577
[2H]C1([2H])Cc2nncn2C(C(C1([2H])[2H])([2H])[2H])([2H])[2H]	SCHEMBL18501361	145.232	FXCXNYOEQRAMPJ-PYNBLEGVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000578
[2H]C1([2H])Cn2cnnc2C(C(C1([2H])[2H])([2H])[2H])([2H])[2H]	SCHEMBL18501360	145.232	FXCXNYOEQRAMPJ-SVYQBANQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000579
[2H]C1([2H])Cn2ncnc2C(C(C1([2H])[2H])([2H])[2H])([2H])[2H]	SCHEMBL16253567,PC-id_117709854	145.232	AKRJUOQZWQVALE-SVYQBANQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000580
C1=CC=c2c(=NC=C1)nco2	PC-id_163864462	146.048	PFKWNPIRNQDCLU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000581
C1=CC2=C(C=NN2)N=NC=C1	PC-id_136427720,PC-id_149253859,SCHEMBL11882727	146.059	IILBYVVDLGNZFJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000582
CC1=C2C=NC=CN=C2N=N1	PC-id_151616409	146.059	QNPDUYGURNLFOW-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000583
CC1=NC=CN=C2C1=CN=N2	PC-id_155223995	146.059	ODLAJGQYQHGUGX-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000584
CC1=NC=CN=C2C1=NC=N2	PC-id_155242082	146.059	OVCQJQMQSLWSKU-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000585
CC1=CC2=C(O1)CC=CC=C2	PC-id_154672725	146.073	VGGBNZKDKHYIHU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000586
CC1=CC2=C(C=CC1)NN=C2	PC-id_147366355	146.084	DIGCEVONPBZUGK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000587
CC1C=CC=CN2C1=NC=C2	PC-id_164876181	146.084	GHPXUNBBPYTUDN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000588
p1c2-c(ccccc2)cc1	PC-id_86027738	146.126	SPKUKQFOPPOLDQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000589
c12occc1ccc(=O)cc2	MCULE-8529543176,EMOLS-id_13734989,PC-id_819000,TIMTEC40443	146.143	LUQCBFKLYGRMLS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000590
o1c2-c(cc1=O)ccccc2	SCHEMBL460797,CoCoCo_5579747,PC-id_324820,NSC291559	146.143	LBFAKLHYVDQHRO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000591
o1cc2c(ccc(=O)cc2)c1	PC-id_140445	146.143	UDTGOPLYKGNTOA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000592
c1cc2c[nH]cc2c(=O)nc1	SCHEMBL8802285,PC-id_136475679	146.146	OTLARYXZVDOUQS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000593
c1ccnc2-c([nH]c(=O)c2)c1	SCHEMBL3042222,PC-id_136411312	146.146	ACHCBYYDZPAJBR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000594
c1cn2cccnc(=O)c2c1	SCHEMBL14249149,PC-id_89287877	146.146	IJOPRKJJCSXBPJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000595
c1cncc2c[nH]cc2c1=O	SCHEMBL7384353,PC-id_136419994	146.146	CEJACVMGBCLCNJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000596
CC1=C=NC=Nc2c1cco2	PC-id_138722171,SCHEMBL21100539	146.146	PPHGWESJJXXJRI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000597
o1nc2c(n1)C=CC=CC=C2	PC-id_85793870	146.146	RZEXXWYURSJPGC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000598
O=c1c2-c(c[nH]cc1)cnc2	PC-id_70073745	146.146	OMSDIGSEITXMBZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000599
O=c1c2nc[nH]c2cccc1	SCHEMBL1651016,PC-id_14735949	146.146	WENGDWNRTBJJRP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000600
O=c1cc2-c([nH]1)cccnc2	SCHEMBL8416586,PC-id_67578917	146.146	FPZCURVXGIIOAG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000601
O=c1cc2-c([nH]1)ccncc2	PC-id_141363173	146.146	FOJPJDZIEOPZSK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000602
O=c1ccc2c(cn1)cc[nH]2	PC-id_67578915,SCHEMBL8416581	146.146	YTYGUMIQJCWDHC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000603
O=c1ccc2-n1cccnc2	PC-id_144987893	146.146	AOEBGVJPWMHCBV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000604
O=c1ccc2[nH]ncc2cc1	PC-id_53438456	146.146	FDUHMIXBEXFJRD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000605
O=c1cccnc2n1ccc2	PC-id_145408002	146.146	CMCQSJJZCFOPGT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000606
O=c1ccn2-c1cnccc2	PC-id_141905130	146.146	UXZDPIMYMVDVAS-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000607
O=c1ccncc2n1ccc2	PC-id_66877035,SCHEMBL1014318	146.146	PEZUKUQJVWSDEA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000608
O=c1nc2-c(ccccc2)[nH]1	PC-id_12458740,SCHEMBL4791433,MCULE-3283247407,EMOLS-id_276808205,ZINC22_90661510,SCHEMBL9443456	146.146	HBNPHVRKFGNYAV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000609
O=c1nc2-c([nH]cccc2)c1	PC-id_68490204	146.146	XBVCFIINOIASAO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000610
O=c1ncccc2c1cc[nH]2	PC-id_57081452,SCHEMBL8801077	146.146	MSSMRMYSZOJODS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000611
O=c1ncccc2c1[nH]cc2	PC-id_18626913,SCHEMBL6619535	146.146	NTPNTTHRVIREGG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000612
O=c1[nH]cccc2-c1ccn2	SCHEMBL8801090	146.146	BUYGQJHBXQPBHG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000613
O=c1[nH]cccc2-c1cnc2	PC-id_67695890,SCHEMBL8802289	146.146	OAZDMYPWBNYDFR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000614
O=c1[nH]cccc2-c1ncc2	SCHEMBL6619540	146.146	IUMUEPNTCCWZHA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000615
O=c1[nH]nc2-c1ccccc2	PC-id_56607437	146.146	CHZCOJQOCUUJNT-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000616
c1cc2c(c(=N)nc1)nc[nH]2	PC-id_137124912	146.149	ZLDKVCHQNABKAT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000617
c1cc2n[nH]nc2ccc1=N	PC-id_136203117	146.149	XSWVLLLMDCXKJL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000618
C1=CN=c2c(=NC=C1)nc[nH]2	PC-id_136277803	146.149	WCLAZAOJBVOOFG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000619
Cc1nn2C=CC=C=Nc2n1	SCHEMBL20229502,PC-id_134578065	146.149	BATJXVUMYPLJNQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000620
Cc1nn2c(n1)C=C=NC=C2	SCHEMBL18596948	146.149	PHNIXKGAZHGEAO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000621
n12c(ncc1)C=CC=NN=C2	PC-id_45088110	146.149	CZDFAZGHCQTCBO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000622
N1=CC=Cc2c(C=C1)n[nH]n2	PC-id_145314954	146.149	ZXSZIRGPJMLFAG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000623
n1nnc2-c1ccc(N)cc2	PC-id_55290400	146.149	IUKMVXYBDLGYMH-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000624
Nc1ncc2-c1nccnc2	PC-id_144019190	146.149	USLBGAXTVTTZNA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000625
Fc1c2-c(cc1)ccccc2	PC-id_15257557	146.161	LRBRLOWDPFYOMQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000626
Fc1c2-c(ccc2)cccc1	PC-id_45090381	146.161	JYILKEHXSYMGSB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000627
Fc1cc2-c(c1)ccccc2	PC-id_45090382	146.161	UUFMPKWSPMWNAP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000628
Fc1cc2-c(ccc2)ccc1	PC-id_45090380	146.161	NULHJVMZVKPFPX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000629
Fc1ccc2-c(ccc2)cc1	PC-id_45090379	146.161	RPBDEJNKHCPNMX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000630
[nH+]1c2-c(nc1N)ccccc2	PC-id_5243924	146.169	XZMXYKSOWURFMX-UHFFFAOYSA-O	00000010100000000111000000000010000000000000000000000000	31-01-000631
CC1=Cc2c(C=CC1)cco2	PC-id_89574927,SCHEMBL14959638	146.186	WCGJCTNGRVXIJO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000632
Cc1cc2c(o1)C=CCC=C2	PC-id_142807757	146.186	SHZIZWXQIFBQOM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000633
CC1C=Cc2c(C=C1)cco2	PC-id_143068885	146.186	KLFZSHWKGLQFBW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000634
Cc1coc2c1CC=CC=C2	PC-id_142949727	146.186	WYNYKUITWAUBQP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000635
CC1=c2c(=CC=CC1)[nH]cn2	PC-id_91065909	146.189	LKBMMJIFOBZFOU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000636
CC1C=c2cc[nH]c2=CN=C1	SCHEMBL13177312,PC-id_89029100	146.189	KXDVHHBNHBNSKM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000637
CC1=Cc2cc[nH]c2N=CC1	SCHEMBL21029045,PC-id_138659669	146.189	MSKCDWVLIKTAAC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000638
CC1C=Cc2c(C=C1)cn[nH]2	PC-id_143667406	146.189	KHZILJIUJXCNOG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000639
CC1=CC=c2c(=CC1)cn[nH]2	PC-id_144073794	146.189	LMOWWPNCTPQECV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000640
CC1C=Cc2c(C=C1)nc[nH]2	PC-id_142064622	146.189	KMVMCKXXBHYCOK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000641
CC1=CCc2c(C=C1)[nH]nc2	PC-id_143777871	146.189	MRRFIVJOBZSJHF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000642
Cc1ccc2n1C=CCC=N2	PC-id_143900424	146.189	NCMGAPSFNKAUHG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000643
CC1=CCC=c2c(=C1)cn[nH]2	PC-id_143181392	146.189	ABSKFHSEXBTKDV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000644
CC1C=CC=c2c(=C1)nc[nH]2	PC-id_122463259,SCHEMBL17987862	146.189	SDADVYDRJRKLKY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000645
CC1C=CC=c2c(=C1)[nH]nc2	SCHEMBL14404316,PC-id_89329450	146.189	LCHDBCHDIBNFFJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000646
CC1C=CC=Cn2c1ccn2	PC-id_145508180	146.189	QHSUAZPYVBXTAF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000647
CC1=CCC=Nc2c1cc[nH]2	PC-id_143390525	146.189	ZUDTWCFRPJPDSU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000648
CC1C=Cn2c(C=C1)cnc2	PC-id_144243720	146.189	SDDAEUFOXIWKJJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000649
CC1C=Cn2c(C=C1)ncc2	PC-id_145141476	146.189	UWJSUFWYDPSSNG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000650
CC1C=CN=c2c(=C1)[nH]cc2	PC-id_137252694,SCHEMBL19527489	146.189	FFUKERCGCVJGEF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000651
CC1=Cn2cncc2C=CC1	PC-id_91472089	146.189	RPULDNRKYAFMKV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000652
CC1=CN=c2c(=CC1)cc[nH]2	PC-id_144945317	146.189	BSNBLXBYGULNMA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000653
CC1C=NC=c2c(=C1)[nH]cc2	PC-id_145369416	146.189	ABASKYOCRGEKEG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000654
Cc1nc2=CCC=CC=c2[nH]1	PC-id_141850599	146.189	PKGXUTBLISZAJX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000655
Cc1nc2c([nH]1)C=CCC=C2	PC-id_143863758	146.189	CDCNTDNBMSXEOL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000656
Cc1nc2c([nH]1)CC=CC=C2	SCHEMBL19339196,PC-id_90972763	146.189	DYWWLPRXOJUMST-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000657
Cc1nc2n(c1)C=CCC=C2	PC-id_143047317	146.189	XOGNNPZMZPDVCL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000658
Cc1[nH]nc2c1C=CC=CC2	PC-id_142896301	146.189	WXMWVWMUMZDFPH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000659
Cc1[nH]nc2c1C=CCC=C2	PC-id_143483177	146.189	ZCROAATYQCIPPC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000660
C[C@H]1C=CC=Cn2c1ccn2	PC-id_143711076	146.189	QHSUAZPYVBXTAF-QMMMGPOBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000661
Cn1cc2c(n1)C=CCC=C2	PC-id_142489471	146.189	NMAGPHFXTBJQPP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000662
Cn1ccc2c1C=CCN=C2	PC-id_91591203	146.189	SKVBJLKVWUDYIS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000663
Cn1cnc2c1C=CCC=C2	PC-id_143809210	146.189	HCTZDHBGAMZYBV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000664
Cn1cnc2=CCC=CC=c12	PC-id_145207332	146.189	ITPNGVJGHXHYEP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000665
Cn1ncc2=CCC=CC=c12	PC-id_145200857	146.189	RSLXGYICGDFXPY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000666
[nH]1ncc2c1C=CCCC=C2	PC-id_86238294	146.189	RREDMXUZPJPKOU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000667
C1C=Cc2c(C#C1)ccs2	PC-id_144512297	146.209	ZOIBJBFPQZFXIL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000668
c1csc2=CC=C=CC=c12	PC-id_90818920	146.209	QDDJCSFAWVEFET-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000669
[B]c1cc2c(o1)CCNCC2	PC-id_89116476	146.982	DRSDKZDUJAKPLR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-000670
C1=CC2=C(NC=C2)SC#C1	PC-id_163555766	147.014	FMXNMGCYJLZMFN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000671
C1C#CC=CC2=C1OC(=O)N2	PC-id_163657178	147.032	IRGLTVWXIHKFSW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000672
C1=CC2=C(C(=O)N=C1)N=CN2	PC-id_153805556	147.043	AJUVCSHOWZOFSR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000673
C1=CN2C(=CC=N2)C(=O)N=C1	PC-id_149253841	147.043	YXOHDTISNZMCOE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000674
C1=CNC2=C1N=CN=CC2=O	PC-id_148242530	147.043	XVGXDAUMOWLCBN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000675
C1=CC=C2C(=[NH+]C(=O)N2)C=C1	PC-id_153783836	147.055	HBNPHVRKFGNYAV-UHFFFAOYSA-O	00000010100000000111000000000010000000000000000000000000	31-01-000676
Cc1nc2c(o1)C=CC=[N+]=C2	PC-id_164152240	147.055	WKDUUBNZDBCMSU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000677
CC1C=CC2=C(C=C1)OC=N2	PC-id_155258806	147.068	MCZMYXKLCGDVKW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000678
CC1=C2C=CC=CNC2=NN1	PC-id_149596069	147.08	ZYVBWVNAPPXHOB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000679
CC1C=CC2=C(C=N1)NC=N2	PC-id_155258812	147.08	YQPCAJLWNXALRA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000680
CC1C=CC2=NC=NN2C=C1	PC-id_153349866	147.08	HSSCDQZNILOVIK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000681
CC1C=CN2C(=CC=N2)N=C1	PC-id_147151810	147.08	BUDDDTRJFOZOHV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000682
CC1=NC=NC2=C(C1)C=CN2	PC-id_153401839	147.08	MZYNNQGKYBKKCQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000683
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c1coccc2=c1cnc2=O	SCHEMBL872947,PC-id_87169931	147.131	GGIFCJADSVVHHB-UHFFFAOYSA-N	00000001100000000110000000000010000000000000000000000000	31-01-000685
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o1c2-c(nc1=O)ccccc2	PC-id_10964662	147.131	DYYLDRPLCGEPEK-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000687
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c1c2-c(cc(=O)[nH]2)cnnc1	PC-id_137211415	147.134	ZZWWLENUXYBDAF-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000689
c1cc2c(c(=O)nc1)[nH]nc2	PC-id_90694701	147.134	YVTCQJFRIOQWLN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000690
c1cc(=O)nnc2c1[nH]cc2	PC-id_137211469	147.134	DDUCUMGKJSDCMF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000691
c1cnnc(=O)c2c[nH]cc12	PC-id_137211462	147.134	HYFDQIIURUQNPA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000692
O=c1c2n[nH]nc2cccc1	SCHEMBL7573967,PC-id_70134078	147.134	LEYJYMOXBKYUMM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000693
O=c1cccnc2c1cn[nH]2	PC-id_141629210	147.134	YYRRZIMUGBUWJS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000694
O=c1cncc2-c([nH]1)cnc2	SCHEMBL11190980,PC-id_20496690	147.134	HRFRYDXDFDAFTE-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000695
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O=c1n2-c(nn1)ccccc2	PC-id_23350232,SCHEMBL11491948	147.134	OULFPFKWWHGVJF-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000697
O=c1nc2-c([nH]1)ccccn2	SCHEMBL2162436,PC-id_67300733	147.134	NJYCROAWODYRAF-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000698
O=c1[nH]nc2-c1ncccc2	SCHEMBL9598073,PC-id_67885991	147.134	LWMAXRZOIVEENN-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000699
c1cc(=N)ncc2n[nH]nc12	PC-id_137315139	147.137	LIFMYERKRJUIIX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000700
c1cnnc2c(c1=N)[nH]nc2	PC-id_136376672	147.137	ROGBCBGPKJCKKG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000701
c1nc2c(c(=N)nc1)[nH]nc2	PC-id_136376681	147.137	BKLUKJMHFMHAIS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000702
Cc1ccc2-c(nn1)nnn2	PC-id_90374674,SCHEMBL15993768	147.137	QYZZCHMAUIVEHG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000703
n1ncc2-c1c(ccnn2)N	SCHEMBL3466863,PC-id_68653845	147.137	DLTBFVKPYNVZIE-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000704
n1ncc2-c1c(nccn2)N	SCHEMBL3468574,PC-id_68654589	147.137	LTTMIICEMRBDCI-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000705
NC1=CC=c2c(=C=N1)[nH]nn2	SCHEMBL20429995	147.137	TYNPDGGBORJFIV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000706
[OH+]=c1ccc2c(cc1)coc2	PC-id_102253706	147.151	UDTGOPLYKGNTOA-UHFFFAOYSA-O	00000000100000000110000000000010000000000000000000000000	31-01-000707
Nc1nn2c(n1)C=CC=C[CH]2	SCHEMBL2511370	147.157	JCUXGNVGZNSREL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000708
CC1=Cc2c(C=CC1)nco2	SCHEMBL14959639,PC-id_89574928	147.174	OOCBSZZCCHWZOT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000709
CC1C=c2ccoc2=CN=C1	PC-id_70318093,SCHEMBL8247401	147.174	LUTWLGPNILIYTI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000710
Cc1cc2c(o1)C=CCC=N2	PC-id_143900472	147.174	LNKXLIMZHADDQA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000711
CC1C=Cc2c(C=C1)cno2	PC-id_144652055	147.174	INZWAAZQOHZIAC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000712
CC1=CCc2c(C=C1)nco2	PC-id_143344867	147.174	LHNKEGMCWFZVMU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000713
CC1C=CC=c2c(=C1)nco2	PC-id_145130185	147.174	ONGCHXABRXOAMV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000714
CC1C=CC=Cc2c1ocn2	PC-id_137465923	147.174	SIFDEYZBMGGRLQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000715
Cc1nc2=CC=CCC=c2o1	PC-id_141918826	147.174	DBRTZBVEHAUHRA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000716
Cc1nc2c(o1)CC=CC=C2	PC-id_142206762	147.174	JETRENDZDDTWKX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000717
Cc1nc2c(o1)C=CC=CC2	PC-id_142847388	147.174	VDJXZYAYMDTLPF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000718
Cc1nc2c(o1)C=CCC=C2	SCHEMBL20038882,PC-id_91578935	147.174	MZLMLDIJIYRPLQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000719
CC1=Nc2occc2CC=C1	PC-id_143096871	147.174	WFIDCCIRZSTGGI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000720
Cc1noc2c1C=CCC=C2	PC-id_143047394	147.174	AMTNXTJTLBDRKV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000721
Cc1noc2=CCC=CC=c12	PC-id_145336024	147.174	NAPNGYVUYSFGSG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000722
Cc1onc2c1C=CCC=C2	PC-id_145001606	147.174	KSAWJCICVODWCW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000723
C[C@@H]1C=Cc2c(C=C1)nco2	PC-id_143305385	147.174	MCZMYXKLCGDVKW-ZETCQYMHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000724
C[C@@H]1C=CC=Cc2c1ocn2	SCHEMBL20706143	147.174	SIFDEYZBMGGRLQ-SSDOTTSWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000725
O1Cc2n(ccc2)C=CC=C1	PC-id_45088163	147.174	FRODVHSZRIGYAM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000726
O=C1C=Cc2n(CC1)ccc2	PC-id_12909354	147.174	KHLQGJSWBDKNBH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000727
OC1=CCn2c(ccc2)C=C1	PC-id_45082836	147.174	IWGBRFSPIOLKTM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000728
CC1=Cc2nccn2N=CC1	PC-id_144075196	147.177	HGUPSUXEPPLMJU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000729
CC1C=c2[nH]cnc2=NC=C1	PC-id_145369452	147.177	BCCSKGANJWUTTM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000730
CC1=Cc2nncn2C=CC1	PC-id_143465989	147.177	QJGDWCXHXUIQAX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000731
CC1C=Cc2c(C=C1)n[nH]n2	PC-id_144069573	147.177	DKGIEXORWAOLSM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000732
CC1=CC=c2c(=NC1)cn[nH]2	PC-id_144983823	147.177	YKPFWAVGBSSELP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000733
CC1C=Cc2n(N=C1)ccn2	PC-id_145141543	147.177	XGXOQLPJSRVNGR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000734
CC1C=CC=c2c(=C1)nn[nH]2	PC-id_143590977	147.177	VQYCWCFASZFPHS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000735
CC1C=CC=Cc2c1n[nH]n2	PC-id_143207550	147.177	LJQOLUZUMXJSJV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000736
CC1C=Cn2ccnc2N=C1	PC-id_134415470,SCHEMBL20047931	147.177	JWNUUXMHTWYCBV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000737
CC1=Cn2ncnc2CC=C1	PC-id_143498487	147.177	VULHSNWCERAECA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000738
CC1=CN=Cc2cncn2C1	SCHEMBL20461290,PC-id_135294737	147.177	QDHLPGBGOLFUGF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000739
Cc1cnn2c1N=CCC=C2	PC-id_144446105	147.177	DUAQKOZHFUCOMD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000740
Cc1nc2=CCC=NC=c2[nH]1	PC-id_143044068	147.177	BBSUGWXYJAIPCX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000741
Cc1nc2n(n1)C=CCC=C2	PC-id_145675780	147.177	ZOWBERPNABTQLA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000742
Cc1ncn2c1C=CCC=N2	PC-id_143900475	147.177	IJBFUMFABNVKJU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000743
Cn1cnc2c1N=CC=CC2	PC-id_143478204	147.177	PJDJBMPLEGHEIO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000744
Cn1nnc2c1C=CC=CC2	PC-id_143514713	147.177	XQUCXXMKSDCSRC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000745
n12CC(=NN=Cc1ccc2)C	PC-id_71723099	147.177	ZMDZNNGFOKJAAI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000746
C1=Cc2c(C=C=C1)scn2	PC-id_91277185	147.197	JSSLEAWOMAHGSU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000747
C1=Cc2c(N=C=C1)scc2	PC-id_134285903,SCHEMBL19901784	147.197	MWYNLHAFTYHPNK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000748
C1=CC=c2c(=CC=1)cns2	PC-id_145577615	147.197	LWUZYXORAKFXAI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000749
C1=C=Cc2c(C=C1)scn2	PC-id_143195738	147.197	BSUKJEXBYAIRFP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000750
C1=CCCc2c(CC1)c[nH]c2	PC-id_122480372,SCHEMBL18007265,SCHEMBL18007266	147.217	FEHFKSSICFHLGI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000751
Cc1cc2=CCCCC=c2[nH]1	PC-id_141790742	147.217	MUKLXSQBVAUYFG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000752
CC1=Cc2cc[nH]c2CCC1	PC-id_145127653	147.217	WWRKOZGVTWDMNA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000753
CC1CCc2c(C=C1)cc[nH]2	PC-id_135214345,SCHEMBL20369900	147.217	YPPKKPOKLWUREO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000754
CC1CCC=c2c(=C1)cc[nH]2	PC-id_142949776	147.217	SMMBSFCJTUCWOK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000755
CC1CCC=c2c(=C1)[nH]cc2	PC-id_139524470,SCHEMBL21397714	147.217	RLEIBHSKMGZGKN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000756
[s+]1c2-c(cc1)ccccc2	PC-id_12332990	147.217	LNMHESYOBNAHBN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-000757
[2H]C1([2H])C([2H])([2H])n2cnnc2C(C(C1([2H])[2H])([2H])[2H])([2H])[2H]	SCHEMBL16253518,PC-id_117709806	147.244	FXCXNYOEQRAMPJ-YXALHFAPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000758
[2H]C1([2H])C([2H])([2H])n2ncnc2C(C(C1([2H])[2H])([2H])[2H])([2H])[2H]	SCHEMBL18501318	147.244	AKRJUOQZWQVALE-YXALHFAPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-000759
C1=C2C(=NC(=O)C=N1)C=NN2	PC-id_164045925	148.039	VUHDFHCGSFFJJS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000760
C1=C2C=NNC2=NC(=O)C=N1	PC-id_154477596	148.039	UFPRICAHETWYEQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000761
C1=CN2C(=CN=C1)N=NC2=O	PC-id_161709432	148.039	XHCOZIQSYPVWBR-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000762
C1=NC(=O)N=CC2=C1C=NN2	PC-id_154136685	148.039	QTLCAAOKGWIOPS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000763
C1=C2C(=CC=[N+]=C1)NC(=O)N2	PC-id_163941173	148.051	HXTOOGBKTUZXMW-UHFFFAOYSA-O	00000000100000000111000000000010000000000000000000000000	31-01-000764
CN1C=Nn2ccnc2[N+]#C1	PC-id_164055233	148.062	NWBPRKZVSASEBZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000765
C1C(=O)CN2C=CC=C2C=N1	PC-id_150314727	148.064	GMIWVBCBRMDNLM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000766
CC1C=CC2=C(N=C1)OC=N2	PC-id_155258854	148.064	SOSIOVDESVQZLI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000767
C1C=CC=C(C2=NN=CN21)N	PC-id_154186979	148.075	OBYDFGBGXFRCAP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000768
CC1=NC=C2C=NNC2=CN1	PC-id_163593209	148.075	GRGBXCBCERXPMT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000769
CC1=NC=Nc2ccnn2C1	PC-id_164021829	148.075	VADFIIUGAMUWOZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000770
O=c1cncc2-c(o1)ccn2	PC-id_142730427	148.119	KASZPDYYURYSMV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000771
O=c1nc2-c(o1)ccncc2	PC-id_141363150	148.119	BXGFEMALMBUGFT-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000772
c1cc(=O)nnc2c1[nH]cn2	PC-id_136467575	148.122	BLGRFFSGRMBJGM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000773
c1c[nH]c2c1nnc(=O)cn2	PC-id_137250137	148.122	ZIXXDDNEPPKVGQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000774
O=c1c2[nH]cnc2ncnc1	PC-id_67108480	148.122	JPRLDWNAIFFTKB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000775
O=c1ccc2-c(n[nH]1)ncn2	SCHEMBL7364627,PC-id_70067359	148.122	BAZJIXDSXDZJCE-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000776
Oc1cncnc2-c1ncn2	SCHEMBL1650843	148.122	MWSNWBJTGIGGCF-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000777
O=c1nccnc2c1[nH]nc2	SCHEMBL5748106,PC-id_69552874	148.122	KOHPIGWDRKJXEY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000778
O=c1nccnc2[nH]ncc12	PC-id_57435581	148.122	QGLCJHKMNSJVKK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000779
O=c1[nH]ccnc2-c1nnc2	SCHEMBL7582635	148.122	HRIXRFWGCUWPMA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000780
O=c1[nH]nc2-c1nnccc2	PC-id_67923265,SCHEMBL9763085	148.122	AXXNMFMZZSYXSN-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-000781
O=c1nnccn2c1ccn2	PC-id_146037667	148.122	CPNPWBVCDMFZCT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000782
CC1=Cc2nonc2C=CC1	PC-id_143217289	148.162	UFWMVYKABBCMPR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000783
CC1C=c2ocnc2=NC=C1	PC-id_143877842	148.162	MVYJVMXURWCGQB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000784
CC1C=Cc2c(C=C1)non2	PC-id_143509382	148.162	LHCBHAQLFWUYAM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000785
CC1=CCc2c(C=C1)non2	PC-id_143862187	148.162	UKPJOINZIWZBJC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000786
Cc1nc2=CCC=CN=c2o1	PC-id_143409831	148.162	VJIIOSBWEUXIPN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000787
Cc1nc2c(o1)N=CCC=C2	PC-id_142280929	148.162	QIDGJBZOGPRMGC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000788
Cc1nc2=NCC=CC=c2o1	PC-id_143408293	148.162	YTXMHPOCDGZGCC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000789
Cc1noc2c1CC=NC=C2	PC-id_144152464	148.162	VGNAVSPNABAHKW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-000790
O=C1NCC=Cc2c1cc[nH]2	PC-id_142626496	148.162	FWCXLUQYLYNDCJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-000791
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CC1CNCC2=CC=NN2C1	PC-id_164876297	151.111	HEKQVMRXMRWERP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001022
C[C@H]1CCN2C(=CC=N2)CN1	MCULE-1320009844,PC-id_164886558,EMOLS-id_317490142	151.111	GAMOLKDGNPSGPU-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001023
o1c(=O)n2c(c1)C=COC=C2	SCHEMBL8867381,PC-id_67712515	151.12	NCJASSFDBUHIJE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001024
O1c2c([nH]nc2)C(=O)N=CC1	PC-id_69479076,SCHEMBL5534611	151.123	IMKWMZMBRDVUGT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001025
C1=CNn2cnnc2NC1=O	PC-id_135576264,SCHEMBL8826115	151.126	JXFJOEKLURPXLT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001026
C1N=Cc2c(NC1=O)n[nH]n2	PC-id_141536380	151.126	MZOYONTYYYJPKX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001027
c12ccoc1CCCNC2=O	EMOLS-id_42973363,PC-id_4552465,ZINC22_6244388,MCULE-9745109592	151.163	FZCXAFBKFNEFCQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001028
o1c2c(CCCNC2=O)cc1	PC-id_82417385	151.163	FQNGFWHTSKLMMY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001029
o1c2CCCC(=O)Nc2cc1	PC-id_83678987	151.163	NVMXRTXXLWCXOK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001030
o1c2c(CCNCC2=O)cc1	PC-id_82417389	151.163	TYCKSVTUMIEXGW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001031
o1c2CCNCC(=O)c2cc1	PC-id_82417390	151.163	FPXXFZMXRZSNSP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001032
o1c2CCNC(=O)Cc2cc1	PC-id_49788161	151.163	HRQWXHNRTOQAQN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001033
o1c2CC(=O)CCNc2cc1	PC-id_82594801	151.163	KWOPNZNZQAKHBU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001034
o1c2CNCCC(=O)c2cc1	PC-id_82417391	151.163	GJIKNEUTIHAVSI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001035
o1c2NCCCC(=O)c2cc1	PC-id_82594800	151.163	VJVSZMAXYRLUJD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001036
o1c2NCCC(=O)Cc2cc1	PC-id_82594799	151.163	BLMPUJBAVVVCEK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001037
o1cc2CCCNC(=O)c2c1	PC-id_82594797	151.163	YHTFEBWLYQQLFZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001038
o1cc2CCNCC(=O)c2c1	PC-id_82417376	151.163	VZMSJZKBTIUTQO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001039
O1CCc2[nH]ccc2C(=O)C1	PC-id_82417392	151.163	OUXCEWSIONELAA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001040
o1ncc2c1CCCCC2=O	PC-id_21630616,EMOLS-id_81837609	151.163	BJJJJJPBQDAGJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001041
O=C1CCNCc2ccoc12	EMOLS-id_324780094,PC-id_83679549	151.163	AGGQDXHJRVQRQC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001042
c12C(=O)CCCCn1cnn2	PC-id_97617283,MCULE-6294264703,ZINC22_96509921,EMOLS-id_49181744	151.166	WWKVWOUFDBXAFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001043
C1Cc2c(NC(=O)C1)[nH]nc2	PC-id_136639918,SCHEMBL15813374	151.166	UBUGLRWARXXAQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001044
C1CNC(=O)Cn2c1ccn2	PC-id_135349632,SCHEMBL20525075	151.166	XGYIOLLJARPXQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001045
O=C1c2c([nH]nc2)CCCN1	SCHEMBL20919789,ZINC22_84307096,EMOLS-id_75510412,PC-id_83679452,MCULE-2713337882	151.166	LQCIUVMGMAXANC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001046
O=C1CCCc2c(N1)cn[nH]2	PC-id_83679000,SCHEMBL15829266	151.166	CANNVAJTDSJSNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001047
O=C1CCCCc2c1n[nH]n2	SCHEMBL17895854,PC-id_121458023	151.166	SEJBPWMMJFZLMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001048
O=C1CCCn2c(N1)cnc2	SCHEMBL18366014	151.166	SIRPFHNFXJZNRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001049
O=C1CCCn2c(N1)ncc2	SCHEMBL18366453,PC-id_105429542	151.166	FLJLFXHSVVFXCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001050
O=C1CCCNc2nc[nH]c12	PC-id_85764870	151.166	BXEGEBNAPJJDSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001051
O=C1CCCNc2[nH]ncc12	EMOLS-id_337718660,PC-id_137054769	151.166	KKGBNHWBLWZJSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001052
O=C1CCNCc2c1[nH]nc2	PC-id_70071594,SCHEMBL7377305	151.166	IAIWWWDKPBTSDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001053
O=C1NCCCc2c1[nH]cn2	SCHEMBL8309980,PC-id_22086936	151.166	BYNGKYPMFXNTJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001054
O=C1NCCCc2cn[nH]c12	PC-id_12437956,SCHEMBL7373377,EMOLS-id_176948075	151.166	LASMFAUXVLVABR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001055
O=C1NCCCn2c1cnc2	PC-id_55276906	151.166	XTFYDLXXNBDUTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001056
O=C1NCCCn2c1ncc2	PC-id_55276905	151.166	CBCVEGJBZAOUIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001057
O=C1NCCCn2nccc12	EMOLS-id_68863895,PC-id_55277028	151.166	NVVHNCKZLBJRPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001058
O[C@@H]1CCC=Nc2c1nc[nH]2	SCHEMBL17589311,PC-id_118944113	151.166	NCIJDHXKMPLKKZ-RXMQYKEDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001059
NC1=NCCNc2c1[nH]nc2	PC-id_142703384	151.169	WGEWCACNTXEECB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001060
C1=COc2c(C=N1)scc2	SCHEMBL16877934,PC-id_118210041	151.186	NAEZJDVKOLXZGN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001061
C1=NOc2c(C=C1)scc2	PC-id_67328964,SCHEMBL2236497	151.186	NXHMIIJSGRXRMV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001062
S1C=Cc2c(onc2)C=C1	PC-id_45099028	151.186	DQTMHZSENVWYCG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001063
C1=c2c(=CSN=C1)cn[nH]2	PC-id_136648493	151.189	WJHKDWDBVURMIG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001064
C1=Cc2c(nc[nH]2)SN=C1	PC-id_137205752,SCHEMBL19090332	151.189	GXWMYZAZECVGOL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001065
C1=CN=c2c(=CS1)cn[nH]2	PC-id_67938558,SCHEMBL9837818	151.189	WJKQYNDZUFVBOY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001066
N1C=Nc2c(C=N1)ccs2	PC-id_140981914	151.189	GYBZBUGKSWWEGL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001067
S1c2n(C=CC=C1)cnn2	PC-id_45088297	151.189	PHVLFXLPONWXJI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001068
S1N=CC=Cc2[nH]ncc12	PC-id_67308425	151.189	FBWNZRSWQYUHRC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001069
c1(CCC)cc2-c(c1)ccccc2	PC-id_22593033	170.25	JHCNRTNFCGWTLT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002975
C1CCCc2c(CC1)ocn2	PC-id_25116045,SCHEMBL2945048	151.206	WOUVBPWSWAUBBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001070
C1CCCc2nc(CC1)oc2	PC-id_102187057	151.206	HRXJUDUPEUGFLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001071
Cn1ccc2c1CCOCC2	PC-id_145769952	151.206	VAWVMYRXBSIDBF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001072
CN1CCc2c(CC1)cco2	PC-id_141953492	151.206	NFIKNCOOUIPUIJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001073
CN1CCCc2c(C1)cco2	EMOLS-id_114355445	151.206	ANTVZYXXVQIUNT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001074
CN1CCCc2c(C1)occ2	PC-id_141953480	151.206	GETORBWXENGYLG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001075
Nc1cc2c(o1)CCCCC2	PC-id_98774462	151.206	ANRWUQULGGTKNH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001076
NC1CCCc2occc2C1	MCULE-4793782677,EMOLS-id_276897536	151.206	GKBIUEOOHXHVER-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001077
o1c2CCCCCc2nc1C	PC-id_12670553	151.206	ZKIHVQPDTDVVJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001078
o1c2c(CCCNC2)cc1C	PC-id_82417320	151.206	IMRKVJSBEYWQET-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001079
o1c2c(CCNCC2)cc1C	PC-id_14894244	151.206	FBNIXWHURVFIID-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001080
o1c2CCCNCc2c(c1)C	PC-id_83669234	151.206	ZVZLFKPDSUNWBQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001081
o1c2CCCNCc2cc1C	PC-id_83669235	151.206	VNWUQCYWHVUFSU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001082
o1c2C(CCNCc2cc1)C	PC-id_83681917	151.206	XFHOUBOEZTXHBC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001083
o1c2c(C(CNCC2)C)cc1	PC-id_82417304	151.206	SGVPREDHCNTKBW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001084
o1c2c(C(NCCC2)C)cc1	PC-id_83681918	151.206	YOFOEMFQLROCAP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001085
o1c(c2c(CCCNC2)c1)C	PC-id_82594869	151.206	SHHUZDQBQXDGKF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001086
o1nc2CCCCCCc2c1	PC-id_45099030	151.206	DZZVMFFUSYYYCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001087
o1nc(c2CCCCCc12)C	PC-id_12659273	151.206	RRLSLVXZRCSFLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001088
o1ncc2CCCCCCc12	PC-id_57327897	151.206	LXUREFUCZXXTMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001089
OC1CCCCc2c1c[nH]c2	PC-id_83208051,EMOLS-id_97226583	151.206	ZRWLJAVJWCXUND-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001090
c12CC(CCCc1cn[nH]2)N	EMOLS-id_75547538,MCULE-6859142259	151.209	OOFBUZHQERUFCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001091
c12CCCCCc1n[nH]c2N	MCULE-1528662837,ZINC22_38888765,PC-id_12211778,EMOLS-id_48671141,EMOLS-id_50078435	151.209	INOZMKDVQAFGQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001092
C1CCCc2c(CC1)[nH]nn2	PC-id_53752505,SCHEMBL8012667	151.209	DCDFITCAMWUMMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001093
C1CCCn2cnnc2CC1	PC-id_91420898	151.209	FUFFDARQFNSCPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001094
C1CCNc2nccn2CC1	PC-id_136251847	151.209	UTIRXRLHYYEDCK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001095
C1CN(CCc2c1cc[nH]2)N	PC-id_89009814,SCHEMBL13068548	151.209	MVTHAUCLOWDKGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001096
C1NCCc2n(CC1)ccn2	SCHEMBL19741741	151.209	LJFJDRWOGRSAKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001097
CC1Cc2c(cn[nH]2)CNC1	EMOLS-id_208097002,MCULE-2959054485	151.209	FAUZOEOMBAPFKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001098
Cc1cc2CNCCCn2n1	PC-id_44141767,SCHEMBL16814033,MCULE-6838537377,EMOLS-id_28218740,ZINC22_33414686	151.209	OJZBMSBCDUGTHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001099
CC1CCCCc2c1n[nH]n2	PC-id_142363847	151.209	MJDNKWKRZOWDEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001100
Cc1cn2CCCCNc2n1	PC-id_136510295	151.209	KEWAKYYVWZQOLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001101
Cc1cn2CCCNCc2n1	SCHEMBL20082396,PC-id_89611825	151.209	LPKIGDVUPKZZBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001102
Cc1cn2CCNCCc2n1	EMOLS-id_330824451,PC-id_70224847,SCHEMBL7904788	151.209	PISHNXHYNKQLGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001103
Cc1cn2c(n1)CCCCN2	PC-id_89611717	151.209	DTBUHDFVYURJQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001104
Cc1cnc2CCNCCn12	SCHEMBL15001582,MCULE-5126256245,EMOLS-id_303507393,PC-id_83678658,ZINC22_84302450	151.209	CKBXORWIBBMAIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001105
Cc1cnc2n1CCCCN2	PC-id_144024604	151.209	VAHVECWAJCBESZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001106
Cc1cnc2n1CCCNC2	PC-id_86686077	151.209	XGZHXAQNONNRDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001107
Cc1cnn2c1CNCCC2	PC-id_84716461,SCHEMBL20939740	151.209	GWQJIFIXGGVTRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001108
Cc1nc2c(CCNCC2)[nH]1	MCULE-1542534815,PC-id_21080313,ZINC22_83268210,SCHEMBL1916066	151.209	LLGORMXOGBZQAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001109
Cc1nc2n(n1)CCCCC2	SCHEMBL10236244,PC-id_58259647	151.209	BKXSOMVRMIBNLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001110
Cc1nnc2CCCCCn12	CHEMBL1380542,ZINC22_4728721,STOCK1S-01156,PC-id_4364917,SCHEMBL15314289,MCULE-2218469684,CoCoCo_5900998,EMOLS-id_2939446	151.209	RHRPZLVMVUMFPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001111
Cc1n[nH]c2c1CNCCC2	PC-id_83679455,SCHEMBL17232670	151.209	TUZOLKRGTCKBKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001112
C[C@@H]1CCCCn2c1nnc2	PC-id_68224794,SCHEMBL12256560	151.209	CDOCLWOQRTYIDQ-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001113
C[C@@H]1CNCc2c[nH]nc2C1	ZINC22_675049987	151.209	FAUZOEOMBAPFKI-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-001114
C[C@H]1CNCc2c[nH]nc2C1	ZINC22_675049988	151.209	FAUZOEOMBAPFKI-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001115
C[C@H]1NCCCn2c1ccn2	MCULE-5399979194,PC-id_146012571	151.209	GVQMFQDVAHLDBB-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001116
Cn1c2c(CCCCC2)nn1	PC-id_89080964,SCHEMBL13415330	151.209	FKKIPJACMXIUNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001117
Cn1cc2CCNCCc2n1	PC-id_82417229,EMOLS-id_324176761	151.209	DEBFBRYUKYTKGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001118
CN1CCc2c(CC1)cn[nH]2	SCHEMBL12363790,PC-id_58386628	151.209	JOGGYAHWYKFWOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001119
CN1CCc2c(CC1)nc[nH]2	PC-id_57819740,SCHEMBL12082637	151.209	XVNTZNMBKSFBIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001120
CN1CCCn2c(C1)cnc2	PC-id_12250975,SCHEMBL16373641	151.209	ZQCPSZRSSIEDSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001121
CN1CCCNc2c1[nH]cc2	PC-id_141782307	151.209	WCNYEROUZNRPGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001122
CN1CCn2c(CC1)cnc2	SCHEMBL19045076,PC-id_83872518	151.209	TWLDPJSWIIIDFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001123
CN1CCn2c(CC1)ncc2	PC-id_145587851	151.209	DGDOHTHQAUXRFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001124
Cn1cnc2c1CCNCC2	PC-id_58398166,SCHEMBL3516499	151.209	ALUGRCQXDPUBQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001125
Cn1cnc2CCCNCc12	EMOLS-id_259718046,MCULE-3938386340	151.209	HYJXRUZDWKCIQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001126
Cn1ncc2c1CCCCN2	SCHEMBL5469025,PC-id_23119815	151.209	QMPOEADZVYPJAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001127
Cn1ncc2c1CNCCC2	MCULE-1682980016,ZINC22_1772717303,EMOLS-id_317510917	151.209	QLQLPALELJCBOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001128
Cn1ncc2CNCCCc12	PC-id_83679454,MCULE-6778225882,EMOLS-id_67911029	151.209	KWEVSQUHBXYCKQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001129
n12CCCCCc1ncc2N	EMOLS-id_32447275,ZINC22_100647392,MCULE-7762751472,PC-id_50989680	151.209	NIXOJBVQTSZOTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001130
n12CCCCCc1nc(N)c2	PC-id_82417231	151.209	BPGXNKVLHDMUJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001131
n12CCCCC(c1nnc2)C	PC-id_77430216	151.209	CDOCLWOQRTYIDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001132
n12CCCNCc1cnc2C	PC-id_83679111	151.209	ITRGGBBIYZFFEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001133
n12nc(cc1CCNCC2)C	PC-id_83872541	151.209	FFFLYYLBQKOWPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001134
n1c2CCCCCc2[nH]c1N	PC-id_66201526,EMOLS-id_41777841,MCULE-7587836697	151.209	IXJHDTATYNAQIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001135
n1(c2CCCNCc2nc1)C	PC-id_83670445	151.209	UMSGLRSSBYJODA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001136
N1CCc2c(n[nH]c2C)CC1	PC-id_84649544	151.209	ASPOXFXXVKUUBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001137
N1CCc2n(ncc2CC1)C	PC-id_84649545	151.209	BUWRCRWOHFLOFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001138
N1CCCc2nc([nH]c2C1)C	PC-id_83670456	151.209	KNUCCWRAKPXHAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001139
N1CCCc2nn(cc2C1)C	PC-id_82417228	151.209	MZJFCTXAQGHSBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001140
N1CCCCc2nn(cc12)C	PC-id_83679003	151.209	KHWQMVYKRWLASS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001141
N1CCCCc2n[nH]c(c12)C	PC-id_83679001	151.209	BMDFZDGNZHGNJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001142
N1CC(N)CCc2[nH]ccc12	SCHEMBL9116158,PC-id_67779287	151.209	ZXJSAUIEMKHDHS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001143
Nc1cc2CCCCCn2n1	PC-id_105429600,EMOLS-id_317490397,SCHEMBL20092261	151.209	SVZNZLWMHAONSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001144
Nc1cc2c([nH]1)CNCCC2	PC-id_98774461	151.209	QTTFQPUTNLSIEL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001145
NC1CCc2c(CC1)nc[nH]2	PC-id_121227348	151.209	IAPYCUHBIDPMQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001146
NC1CCCCc2c1cn[nH]2	EMOLS-id_96266155,PC-id_84649546	151.209	BBYSKLWMQNORDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001147
NC1CCn2c(CC1)ncc2	PC-id_104970000	151.209	CCDKLDLNCGRZEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001148
Nc1cnn2c1CCCCC2	PC-id_105429599	151.209	NHXRLHKHCDKZSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001149
N[C@@H]1CCCc2c[nH]nc2C1	ZINC22_575424838	151.209	OOFBUZHQERUFCB-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001150
N[C@H]1CCCc2c[nH]nc2C1	ZINC22_575424839	151.209	OOFBUZHQERUFCB-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001151
C1=CCc2c(CC1)scn2	PC-id_143512720	151.229	UEUXZVDCVRRXRL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001152
C1CNc2c(C=C1)scc2	PC-id_140983480	151.229	ICMAXXRUWIFHKN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001153
[nH+]1c2CCCCCCc2[nH]c1	PC-id_51611411	151.229	NISVEPYYTRFJBN-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-001154
C1c2cncn2NCNC1=O	PC-id_163644176	152.07	IGVCKKZGZZUPEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001155
C1CNCCN2C1=CC(=N2)N	PC-id_154685721	152.106	ZEOILFJWZUTISS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001156
O=C1N=CCOc2c1[nH]nn2	SCHEMBL21248061,PC-id_139392104	152.111	QAKWMHNBWYXOEK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001157
C1CC(=O)Nc2c(N1)coc2	PC-id_96635828	152.151	JXWPRUTZDPOCHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001158
o1c2NC(=O)CCCc2nc1	PC-id_82651557	152.151	ZESIBGWWVXFMPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001159
o1ncc2c1CCCNC2=O	PC-id_83679463	152.151	GQQJZXIPADPQRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001160
o1ncc2CCCNC(=O)c12	PC-id_12437802	152.151	GMOCSYPZSWEKSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001161
o1ncc2NC(=O)CCCc12	PC-id_83678988	152.151	NLFFLWWYCIRDLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001162
O=C1CCc2c(CN1)ocn2	PC-id_142177633	152.151	GZGTUOJRBYOOEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001163
O=C1NCCCc2c1nco2	PC-id_117275270	152.151	SHXZMTMPYMEPCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001164
c12CCCCC(=O)n1nnn2	PC-id_55250264,MCULE-7557411865	152.154	LYJLYDPPWSQDPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001165
C1Cc2nnnn2CCC1=O	PC-id_89156787,SCHEMBL13729971	152.154	TUXUFSNMWGDQKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001166
C1CNc2ccnn2NC1=O	PC-id_137287931,SCHEMBL20525218	152.154	JKKTTYPXOWSCJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001167
C1CNc2c(cn[nH]2)NC1=O	PC-id_136300224	152.154	GKNTZWDGBQBORK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001168
C1CNC(=O)c2c(N1)cn[nH]2	PC-id_91420122	152.154	DBUIQCDHTOJZDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001169
C1CNC(=O)c2c(N1)[nH]nc2	PC-id_137176310	152.154	UKBIFPPDDNCLKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001170
C=C1OCCCn2c1nnn2	SCHEMBL12488464,PC-id_68288498	152.154	MQMVXLBVZGBBFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001171
OC1c2[nH]cnc2NC=NC1	SCHEMBL285221,SCHEMBL9690522,PC-id_15375737	152.154	YFIDCUXYXQUPSM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001172
O=C1CCCCn2c1nnn2	SCHEMBL13482137,PC-id_16043492	152.154	XSOKNGYCJADXCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001173
O(c1cc2-c(c1)ccccc2)CC	PC-id_10997506	172.223	WAVNIIACMSBMKI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003085
O=C1NCCc2n(C1)cnn2	SCHEMBL7098924,PC-id_69988479	152.154	RQSGXDLFMFHBLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001174
O=C1NCCCc2n[nH]nc12	PC-id_84649602	152.154	JCOKSFWDIYMDRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001175
O=C1NCCCn2c1cnn2	PC-id_86775270,MCULE-9937101869	152.154	ZOYXLBWWDKNPCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001176
O[C@H]1c2[nH]cnc2NC=NC1	PC-id_22808437,SCHEMBL13697472	152.154	YFIDCUXYXQUPSM-SCSAIBSYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001177
o1nc2CCCCCc2c1[O-]	PC-id_29947994	152.171	BEGRYGSHNSVWLM-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-001178
s1c2c(OC=CN=C2)nc1	PC-id_45121699	152.174	FWOSDBFWNQDPRS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001179
S1C=Cc2c(onc2)N=C1	PC-id_45099045	152.174	KAUHWLTUPGNARS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001180
C1=CN=NSc2c1[nH]cn2	PC-id_137210166	152.177	VHEGEYVOFYYPIO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001181
C1=CN=NSc2c1[nH]nc2	PC-id_137184028	152.177	PKOJETJLUKUCOB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001182
o1c2CCCCC(O)c2cc1	PC-id_13414165	152.19	XRJGZWBJANSIQJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001183
OC1CCCc2occc2C1	MCULE-3675020805,EMOLS-id_276897539	152.19	KNKDLDLJCMLXNE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001184
c12-c(ccc1)ccc(cc2)C#C	PC-id_15482671	152.192	NEPBPTLWUWIANH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001185
c12-c(ccc1C#C)ccccc2	PC-id_11332568	152.192	KCILIOMAFBLYSD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001186
c12-c(cc(c1)C#C)ccccc2	PC-id_12122198	152.192	VTEAOJBDUXCZGU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001187
C#Cc1cccc2-c(c1)ccc2	PC-id_101030070	152.192	XMMQOJWJSXKGOS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001188
c12CC(CCCc1cno2)N	EMOLS-id_75547954,MCULE-5513878927	152.194	PNHRNPGGCIAEKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001189
c12CCCCCc1noc2N	PC-id_84220982,EMOLS-id_50078437,MCULE-8131047102	152.194	JXCMPYHVCAWBBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001190
c12CCCCCc1onc2N	EMOLS-id_207622479,PC-id_82276194,MCULE-1934350394	152.194	MTCJXSJBHHNIPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001191
C1CCn2c(ccn2)C(C1)O	SCHEMBL20646520,PC-id_137413044	152.194	LMGLEXFQMJHENB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001192
Cc1cnn2c1OCCCC2	PC-id_138580592,SCHEMBL20939390	152.194	CDTTYHBOAUXRMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001193
CC1COCCn2c1ncc2	PC-id_138501785,SCHEMBL20851568	152.194	OFADWESKSYDANC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001194
Cc1nc2c(o1)CCNCC2	PC-id_82651590,SCHEMBL15001618	152.194	ORDFIPQNMAYZCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001195
Cc1ncn2c1CCOCC2	PC-id_141409074	152.194	YEARLXYYKHLTRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001196
Cc1[nH]nc2c1CCCCO2	PC-id_144597795	152.194	VSWPYHXFOZHHGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001197
Cc1[nH]nc2c1CCOCC2	PC-id_145769980	152.194	BKANQWDNWCXSNF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001198
Cc1[nH]nc2c1COCCC2	SCHEMBL17232794,PC-id_118491757	152.194	RRBJXBBAGJDECQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001199
Cc1nn2c(c1)COCCC2	PC-id_66634615,SCHEMBL255139	152.194	UKPVZMYSYOMEAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001200
Cc1nn2c(c1)OCCCC2	SCHEMBL4733469,PC-id_69166316	152.194	CXLKROOPHWDLEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001201
CC1OCCc2n(C1)cnc2	PC-id_141409071	152.194	GBQUDGMFSAEMTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001202
C[C@H]1COCCn2c1ncc2	SCHEMBL20851573,PC-id_138501789	152.194	OFADWESKSYDANC-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001203
CN1CCc2c(CC1)nco2	PC-id_145587852	152.194	SXMSYLKWBAGYIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001204
CN1CCCNc2c1coc2	PC-id_96223103	152.194	XBWUDSDIRXCFKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001205
Cn1ncc2c1CCOCC2	PC-id_145770025	152.194	LWPZAXHOJZHXFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001206
Nc1cc2c(o1)CNCCC2	PC-id_98774451	152.194	USHHTCCUEYJMLR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001207
NC1CCCCc2c1cno2	PC-id_107384345,EMOLS-id_96335972	152.194	FLQQXVXRBRTDHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001208
N[C@@H]1CCCc2cnoc2C1	ZINC22_575424861	152.194	PNHRNPGGCIAEKP-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001209
N[C@H]1CCCc2cnoc2C1	ZINC22_575424862	152.194	PNHRNPGGCIAEKP-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001210
o1c2CCCCCc2nc1N	PC-id_24836983	152.194	MABPHXSKTUDUMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001211
o1c2CCCNCc2nc1C	PC-id_82651589	152.194	OSJOYRLLUGNXSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001212
o1c2c(nc1C)CCCNC2	PC-id_84649649	152.194	WYPIEGPRYTYSGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001213
O1CC(N)c2c([nH]cc2)CC1	PC-id_82595043	152.194	JCLNDBNXFQUBNJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001214
o1nc2CCCCCCc2n1	PC-id_24971510	152.194	VZXQRBILJQBREI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001215
o1nc(c2c1CCCNC2)C	PC-id_83679464	152.194	AWSZQFYEMILAOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001216
o1nc(c2CCNCCc12)C	PC-id_84649648	152.194	CVOLZBIFFYRIDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001217
o1nc(c2NCCCCc12)C	PC-id_83678991	152.194	HVADMJCEBLKWTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001218
O=c1cc2n([nH]1)CCCCC2	SCHEMBL3530575,PC-id_68678563	152.194	WWICLKKCADEREC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001219
O=c1ccn2n1CCCCC2	SCHEMBL5739429,CoCoCo_5742550,PC-id_385004	152.194	PFZHRYOZBHISOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001220
OC1CCNCc2[nH]ccc12	PC-id_83679520	152.194	QZGNMCMYCOWFQB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001221
Oc1n2CCCCCc2nc1	PC-id_83681524	152.194	FUACMKKSOAKZEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001222
O=c1[nH]c2c([nH]1)CCCCC2	SCHEMBL9443465,SCHEMBL6674473,PC-id_14997476,ZINC22_34425606	152.194	LPDVMKGSVXYVQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001223
Oc1[nH]nc2c1CCCCC2	EMOLS-id_114357348,CoCoCo_5460764,EMOLS-id_40897368,PC-id_12034715,CoCoCo_5460763	152.194	QXVHMLFNQLFORJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001224
c12C(CCCCn1cnn2)N	MCULE-2311787254,SCHEMBL2395105,EMOLS-id_49188392,PC-id_67391168	152.197	YFTDWFJDKSFXJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001225
C1CCCn2nnnc2CC1	PC-id_13258504,SCHEMBL3182039,EMOLS-id_317694664,MCULE-7048622094	152.197	GPPOAOJRSOJURZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001226
C1CN(CCc2c1cn[nH]2)N	SCHEMBL13068651,PC-id_89009865	152.197	BYQUNMJRUBZANI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001227
CC1CCn2c(CC1)nnn2	SCHEMBL16253575,PC-id_12143310	152.197	HYYZEIAQXFMFAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001228
CC1CCNc2c(N1)[nH]nc2	PC-id_136300229	152.197	ZGMWLGRWJHYZAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001229
Cc1nn2CCCCNc2n1	PC-id_135988900,SCHEMBL7904550	152.197	WIAMQJTUJJUUDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001230
Cc1nn2CCNCCc2n1	PC-id_90841048	152.197	RZYSYTIBXRCPSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001231
Cn1c2c(CNCCN2)cn1	PC-id_136965948	152.197	LPZLJYJCSBBHSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001232
CN1CCCCn2c1nnc2	SCHEMBL13749952,PC-id_57802969	152.197	NDWVRCXFYSAODN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001233
CN1CCCn2c(C1)ncn2	PC-id_144073208	152.197	ANZJWMLSYOXCSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001234
CN1CCCn2c(C1)nnc2	SCHEMBL8271970,EMOLS-id_114357839,PC-id_70328544	152.197	HBVOMBCZYIJWCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001235
CN1CCn2c(CC1)ncn2	PC-id_144072380	152.197	HJFCBQCVVCXAES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001236
CN1CCNc2c(C1)cn[nH]2	PC-id_136965947	152.197	XCIKXQVIBMQSGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001237
n12CCC(CCc1nnc2)N	MCULE-4381403899,EMOLS-id_195315829	152.197	NMHSRADHFBXGAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001238
n12CCCCCc1nnc2N	PC-id_4218876,EMOLS-id_38792118	152.197	RUJNPJIVJBRDCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001239
n12CCCNCc1nnc2C	PC-id_72212992	152.197	JZCXDASEJOQCJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001240
n12CCNCCc1nnc2C	EMOLS-id_68927913,MCULE-3818905110,SCHEMBL13209038,PC-id_59006429	152.197	ZEFRABOWIHXNKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001241
n12nc(nc1CCCCC2)N	SCHEMBL2492091,PC-id_592319	152.197	FHUPUGIICPIWCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001242
n12nc(nc1CNCCC2)C	PC-id_72213345	152.197	DYKDWNNQAMCWLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001243
n12nnnc1CCCCC2C	PC-id_12143309	152.197	ZHGUAELAYKXYCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001244
n12nnnc1CC(CCC2)C	PC-id_24846478	152.197	IIPDNDVEVVEECJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001245
n12nnnc1C(CCCC2)C	PC-id_24846479	152.197	CEKMJMDLPVARPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001246
N1CCc2c([nH]nc2N)CC1	PC-id_83862843	152.197	YDNZUZPHSNADHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001247
N1CCc2n(nnc2CC1)C	PC-id_83864783	152.197	HIKJQTLZRJUQEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001248
N1CCCc2c([nH]nc2N)C1	PC-id_83679429	152.197	PQANAMLMQPKIAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001249
N1(CCCNc2c1[nH]nc2)C	PC-id_83815367	152.197	BOFKUCHFDIOHHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001250
n1c(N)cc2CNCCCn12	PC-id_135294637,EMOLS-id_189857230,MCULE-3746290012,SCHEMBL20461181	152.197	IMQGJTWGILNPMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001251
n1(nnc2CCCCCc12)N	PC-id_85701091	152.197	PTGLPYOIABFNLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001252
Nc1cnc2CCNCCn12	EMOLS-id_331180001	152.197	WDOVRZUVNCCVNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001253
NC1CNCc2ccnn2C1	EMOLS-id_331180513	152.197	CXYJVKRQKRPSBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001254
NC1CNCc2nccn2C1	EMOLS-id_331248758	152.197	RABZRORYGWNGJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001255
N[C@@H]1CCCCn2cnnc12	PC-id_69712137,ZINC22_96515879,SCHEMBL6226316	152.197	YFTDWFJDKSFXJP-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001256
N[C@H]1CCCCn2cnnc12	ZINC22_39080333,PC-id_45088331	152.197	YFTDWFJDKSFXJP-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-001257
NN1CCn2c(CC1)ncc2	SCHEMBL17613235,PC-id_118964275	152.197	OUPZSVIUPSSJPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001258
C1CCc2c(N=C1)ncs2	SCHEMBL19937700,PC-id_134316770	152.217	XEHMXBWUBDPLHH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001259
C1CNc2c(C=N1)ccs2	PC-id_70598422,SCHEMBL11498457	152.217	QRWSOHFOTJXMLN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001260
C1=CNc2c(CN1)ccs2	SCHEMBL17081015,PC-id_118369215	152.217	RYESSSXSBPIDTG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001261
C1NCc2c(N=C1)scc2	SCHEMBL17081018,PC-id_118369218	152.217	YCGYMAJRHNZXMP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001262
Cc1cn2[n+](n1)CCCCC2	PC-id_58070780,SCHEMBL10014932	152.217	BLSBYWKAPBYZID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001263
Cn1cc2[n+](n1)CCCCC2	SCHEMBL10014943,PC-id_58070775	152.217	HDGRRWSENVHIKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001264
[NH2+]1CCCn2nc(cc2C1)C	PC-id_44141766	152.217	OJZBMSBCDUGTHS-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-001265
s1c2NNCC=Cc2cc1	PC-id_12562337	152.217	BAQYGBUPAKCTRX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001266
s1c2CCCC[N]c2cc1	PC-id_60208583	152.237	IXUGPRDPHRIZIQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001267
C1CCc2c(CC1)ccs2	PC-id_59418337,SCHEMBL2485508	152.257	PDDJLLYFHMMVJG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001268
C1CCc2c(CC1)csc2	PC-id_23508066,SCHEMBL5560931	152.257	NTFUTNSKXAUQOD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001269
O1Cc2c(onc2)C=COC1	PC-id_45099063	153.135	VIUOPJDSWHGGCE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001270
c12c(CCCNC1=O)non2	EMOLS-id_781947,CHEMBL1313248,ZINC22_49756,CoCoCo_38218,NSC663951,MCULE-1501921936,ChEMBL-DNDi_CHEMBL1313248,PC-id_379409,STOCK1S-59518	153.139	HLLCOQBFTOLPAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001271
C1CC(=O)Nc2c(O1)[nH]nc2	PC-id_145225037	153.139	IUAWATOEPYCSBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001272
O1CCNC(=O)c2[nH]cnc12	SCHEMBL8310467,PC-id_22086951	153.139	XGARMGOSZQVWLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001273
o1nc2CNC(=O)CNc2c1	PC-id_82373304	153.139	LITPUVYEIQBWDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001274
O=C1NCCOc2c1[nH]nc2	SCHEMBL21247744,PC-id_139391868	153.139	CYGZDCKREOUHPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001275
OC1c2[nH]cnc2NC=[NH+]C1	PC-id_72457304	153.162	YFIDCUXYXQUPSM-UHFFFAOYSA-O	00000000100000000111000000000010000000000000000000000000	31-01-001276
O[C@H]1c2[nH]cnc2NC=[NH+]C1	PC-id_58899184	153.162	YFIDCUXYXQUPSM-SCSAIBSYSA-O	00000000100000000111000000000010000000000000000000000000	31-01-001277
C1=CN=NSc2n[nH]nc12	PC-id_136454697	153.165	HMYZZPKTMPBXNJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001278
C1CCc2c(CC1)oc(=O)[nH]2	PC-id_134914959	153.178	VTKCIWACBCVJHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001279
C1CCOc2c(cc[nH]2)OC1	SCHEMBL14358729,PC-id_89315453	153.178	YMOWIPSLSPDHEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001280
C1CCOc2c(OC1)c[nH]c2	PC-id_22672963,SCHEMBL182729	153.178	OVNKRTGDQPWPGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001281
C1CCOOc2c[nH]cc2C1	PC-id_87075594,SCHEMBL181680	153.178	RALRVDASKQHIHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001282
CC1CCOc2c(O1)c[nH]c2	PC-id_69245395,SCHEMBL4930861	153.178	XBINXFJTIRBYJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001283
CC1COc2c(OC1)c[nH]c2	PC-id_66616050,SCHEMBL181708	153.178	RATGTOHXIKANMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001284
CC1COOc2c(C1)c[nH]c2	SCHEMBL181707,PC-id_22672967	153.178	BXDLZGCQZKNFNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001285
Cn1cc2c(c1)CCCOO2	PC-id_22672954,SCHEMBL182197	153.178	JDIFDLSYIPZNLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001286
Cn1cc2c(c1)OCCCO2	PC-id_11062582,SCHEMBL182198	153.178	LEYLAPFKYOTAHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001287
o1c2c(C(O)CCNC2)cc1	PC-id_68411564,SCHEMBL2840441	153.178	YCTJERQVUOVKTL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001288
o1c2C(O)CCNCc2cc1	PC-id_83679557	153.178	NVJMKJNPKGUYJY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001289
o1[nH]c2CCCCCc2c1=O	EMOLS-id_114359353,PC-id_29947995	153.178	CLEKKYHKUSVQGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001290
Oc1c2CCCCCc2on1	MCULE-6577180570,PC-id_12387424,EMOLS-id_49835179,EMOLS-id_323883720	153.178	UJYRNWXAKZKIOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001291
Oc1onc2c1CCCCC2	EMOLS-id_107847834	153.178	BEGRYGSHNSVWLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001292
c1cc2-c(ccc(cc2)C#N)c1	PC-id_91533837	153.18	DZQSGPBWEZDPRN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001293
[C-]#[N+]c1c2-c(ccccc2)cc1	PC-id_86052653	153.18	JOIPPBXDQSSGAF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001294
[C-]#[N+]c1ccc2-c(ccc2)cc1	PC-id_85832065	153.18	ABAGTQPHQTZHRH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001295
[C-]#[N+]c1cccc2-c(c1)ccc2	PC-id_102397607	153.18	FFTCXGVIHBDTCC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001296
N#Cc1c2-c(cc1)ccccc2	PC-id_11217357,SCHEMBL151224	153.18	NOUOSAZUOXMSHD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001297
[N+](#[C-])c1c2-c(ccc2)cccc1	PC-id_86052657	153.18	GPCVFDSZCHDJIG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001298
N#Cc1cc2-c(c1)ccccc2	PC-id_21587529,SCHEMBL16050408	153.18	AIKGVEUVGAOLGL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001299
[N+](#[C-])c1cc2-c(c1)ccccc2	PC-id_86052655	153.18	SBCXMEMYSIZVHO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001300
c12C(CCCCn1cnn2)O	PC-id_102548708,MCULE-3810130700,EMOLS-id_49181742	153.182	NKEIENFAPPVCPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001301
c12CCNCCc1[nH]nc2O	MCULE-9530984393,PC-id_51072221,ZINC22_28603460,EMOLS-id_32234629	153.182	WUOZWHQSSQVLPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001302
C1CCc2n(CC1)c(O)nn2	ZINC22_6504607,SCHEMBL3521506,CoCoCo_6373293,MCULE-4710008265,CT-id_2207966,CHEMBL1407722,SPECS-id_AN-153/NB12883,SPECS-id_AT-687/NB01742,2207966_OpenMolecule,TIMTEC279931,PC-id_658233,STOCK1S-39339,EMOLS-id_2585935,EMOLS-id_2870959,CoCoCo_5792864,CoCoCo_5792865	153.182	LBVMECGJURCSOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001303
C1CCNc2c(C1)[nH]c(=O)[nH]2	PC-id_90244220,SCHEMBL15828407	153.182	LUSQTOCZJCSQTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001304
Cc1nnc2CCOCCn12	SCHEMBL12510366,EMOLS-id_337777486,PC-id_68301643	153.182	IBMAYECNFMOEAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001305
Cc1nnc2n1CCCOC2	SCHEMBL12824126,PC-id_68389997	153.182	JJGXFJCZGPZTMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001306
Cc1nnc2n1COCCC2	SCHEMBL15314288,PC-id_89847554	153.182	BRCMUBGGGNAFJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001307
Cn1cc2c(n1)OCCNC2	PC-id_118463830,SCHEMBL17196077	153.182	NJQCWRFOZMUDHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001308
CN1CCNc2c(C1)cno2	PC-id_136965951	153.182	WVNXARWEGRXQCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001309
Nc1cnc2CCOCCn12	EMOLS-id_317672091,MCULE-4270527702,PC-id_138991167	153.182	BAAYRLPQYMEVTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001310
NC1CNCCc2c1con2	PC-id_144812853	153.182	VJFZXLQPMXTAGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001311
Nc1cnn2CCCCOc12	EMOLS-id_331107401	153.182	RLZUNNFCUKWDHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001312
NC1COc2n(CC1)ncc2	SCHEMBL18365820	153.182	WOYWCRCMOAUDAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001313
Nc1nc2c(o1)CCNCC2	PC-id_84649760,SCHEMBL14990584	153.182	WLURPUFWHRATRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001314
o1c2CCCNCc2nc1N	PC-id_83670443	153.182	UFMBKLXUXAYQNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001315
O1CCc2c([nH]nc2N)CC1	PC-id_83862842	153.182	HXBXMKJHSLAVIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001316
o1nc2c(CCNCC2)c1N	PC-id_83862805	153.182	QRVBJPAKTGFOTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001317
o1nc(N)c2CCNCCc12	PC-id_82416892	153.182	ICXJXDMDZIKUIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001318
OC1CCCNc2nc[nH]c12	PC-id_85764857	153.182	BVTLAPGNUCDSHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001319
OC1Cn2c(ccn2)CNC1	MCULE-7297220768	153.182	OYQUWKOHGKRZJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001320
O=c1[nH][nH]c2c1CCCNC2	PC-id_105429887	153.182	XULIKIHPZJPFJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001321
O[C@H]1CCCCn2cnnc12	PC-id_97617281,ZINC22_96509919	153.182	NKEIENFAPPVCPB-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-001322
O[C@@H]1CCCCn2cnnc12	PC-id_97617282,ZINC22_96509920	153.182	NKEIENFAPPVCPB-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001323
On1nc2c(n1)CCCCC2	PC-id_101995616	153.182	WFFQMSNNGNFJGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001324
C1CCNc2nnnn2CC1	PC-id_137199341	153.185	NBKDXXIHGZXKQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001325
N1CCc2nn(nc2CC1)N	PC-id_19985981,SCHEMBL9871140	153.185	TUFQCLYYJDUITI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001326
NC1CCc2nnnn2CC1	MCULE-7169957962,EMOLS-id_303144434,PC-id_121553616	153.185	BYKLNTQRIPXGGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001327
Nc1nnc2n1CCCNC2	PC-id_117274076	153.185	BPQZBZZUKCTBOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001328
N[C@@H]1CCc2nnnn2CC1	ZINC22_307068335	153.185	BYKLNTQRIPXGGX-RXMQYKEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001329
N[C@H]1CCc2nnnn2CC1	ZINC22_307068336	153.185	BYKLNTQRIPXGGX-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001330
C1CN=c2c(=CS1)cn[nH]2	SCHEMBL15813979,PC-id_90233717	153.205	RLFHXPJWCNMVCE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001331
n12nn[n+](c1CCCCC2)C	PC-id_15304957	153.205	NKELQXFMFNPYPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001332
[n+]12nn(nc1CCCCC2)C	PC-id_21671893	153.205	VEDFIYVRHFQISK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001333
c12CCNCCc1ccs2	PC-id_11513777,EMOLS-id_43440262,ZINC22_34604205,MCULE-9002185876,SCHEMBL997292	153.245	JUPMBVNRFXPRCB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001334
c12CNCCCc1ccs2	MCULE-4231310121,ZINC22_82407233,PC-id_21471860,EMOLS-id_301195369,SCHEMBL6511764	153.245	YDHBMPBDDNCJDO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001335
C1Cc2c(ccs2)CNC1	EMOLS-id_300491828,PC-id_13072089,MCULE-2421873407,SCHEMBL3581219,ZINC22_39386927	153.245	QCMKVZZHNHJLAQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001336
C1Cc2c(CSC1)cc[nH]2	SCHEMBL15828460,PC-id_90244269	153.245	JVZVPVVLAOPYKV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001337
C1Cc2c(CSC1)[nH]cc2	SCHEMBL15828429,PC-id_90244241	153.245	AVOVZXGUOUCILY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001338
c1cc2c(s1)CCCCN2	EMOLS-id_31708094,MCULE-5093220705,PC-id_11804971,SCHEMBL4114428,ZINC22_36447927	153.245	BXQBADSCRTXJPX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001339
C1CCc2ccc(CN1)s2	PC-id_140022252	153.245	ZNRNXOCONWVKFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001340
C1CCc2c(NC1)scc2	PC-id_59710020,SCHEMBL14181104	153.245	WZAUPJZEKZYHDK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001341
C1CCc2ncsc2CC1	ZINC22_140530851,SCHEMBL3534256,MCULE-6886770348,PC-id_20079596,EMOLS-id_49866186	153.245	UMWKPIKCOCKMIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001342
C1CNCc2cscc2C1	PC-id_82416750,EMOLS-id_324123601	153.245	HMWUMLICQMOZDI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001343
N1CCc2c(CC1)csc2	PC-id_139981180	153.245	WHTRJRQEJFYZSW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001344
s1nc2CCCCCc2c1	PC-id_12335108	153.245	YSMVIGYJNJEGCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001345
s1ncc2CCCCCc12	PC-id_12339571	153.245	GOWGJDMYUYKTDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001346
O1Cc2n(C=CC1)c(=O)on2	PC-id_57256041	154.123	SKBXCFGJZUFDET-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001347
O=C1NCCOc2c1[nH]nn2	PC-id_139451832,SCHEMBL21315728	154.127	DTROXNKNWJHCHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001348
CC1OCc2c(CO1)coc2	PC-id_101220565	154.163	JTPHKUFAFLOAGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001349
O=c1oc2c(o1)CCCCC2	PC-id_140345580	154.163	PFWQOKUCNYXPIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001350
C1Cc2c(COC1)[nH]c(=O)[nH]2	PC-id_90244225,SCHEMBL15828413	154.166	SYQFLIRHBQWJFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001351
O1CCc2c(noc2N)CC1	PC-id_83862804	154.166	ITYVUTJDOZAREM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001352
O1CCc2c(onc2N)CC1	PC-id_82416673	154.166	VOHLSBYJXDUKET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001353
o1[nH]c(=O)c2c1CCCNC2	SCHEMBL7412192,PC-id_127837	154.166	SUVBRZKUTWNOCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001354
o1[n+]([O-])c2CCCCCc2n1	PC-id_12219476	154.166	NSQFQONCXSKGRR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001355
Nc1cnn2c1NCOCC2	PC-id_141299162	154.17	MUZCNDLQVOTCQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001381
O=c1c2c(CCNCC2)o[nH]1	BindingDB_PC-id_44313325,EMOLS-id_84833510,PC-id_44313325,ZINC22_13859296,BindingDB_PC-id_171289,SCHEMBL7412843,MCULE-7073741738,EMOLS-id_96339451,CHEMBL309689	154.166	KHTRGFVHYPWHIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001356
OC1NCCc2c(C1)con2	PC-id_54440177	154.166	WNNUYXYVYYLACX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001357
O=c1[nH][nH]c2c1CCOCC2	PC-id_117274344	154.166	QXFJZFBTDCHFKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001358
c12CCCNCc1o[nH]c2=O	MCULE-3292729888,EMOLS-id_84833554,PC-id_12383657,SCHEMBL7414071,EMOLS-id_96410133	154.167	HYBBVAMRGGFGKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001359
C1COCCc2c1cnn2O	PC-id_137400024,SCHEMBL20631711	154.167	XWMSFVXZBUWDLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001360
o1c2CCCNCc2[nH]c1=O	PC-id_83670442	154.167	PGTVUGMNWMLHKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001361
O1CCn2n(CC1)ccc2=O	PC-id_12401237	154.167	PNOPMTASWISKTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001362
o1nc2n(CCCCC2)c1=O	PC-id_9793874,SCHEMBL6796060	154.167	NKTALRNVXOLOSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001363
o1[nH]c2c(CCCNC2)c1=O	BindingDB_PC-id_44313245,PC-id_44313245	154.167	ZWENEPORMGLCFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001364
o1[nH]c2CCCNCc2c1=O	PC-id_127199,BindingDB_PC-id_127199	154.167	KZHXNBMVECAIKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001365
o1[nH]c2CCNCCc2c1=O	BindingDB_PC-id_3047783,PC-id_3047783	154.167	HJYDVFJJXSVJQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001366
o1n[n+]2CCCCCc2c1[O-]	PC-id_58625036,SCHEMBL2531156	154.167	LOPCUBDUAMSLAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001367
Oc1onc2c1CCCNC2	PC-id_44313244,CHEMBL74364	154.167	NAHLHBDKXMWWOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001368
Oc1onc2c1CCNCC2	PC-id_44313324,CHEMBL292757	154.167	ADCZCHGZOJHXPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001369
Oc1onc2c1CNCCC2	CHEMBL305673,PC-id_44313370	154.167	QERHSYDLCONEQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001370
n1c2-c(cc(ccc2)C#N)cc1	PC-id_70357429,SCHEMBL10389736	154.168	KNTKAMCRMBLEDZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001371
c12CCCCCn1nn(=O)n2	PC-id_46217780,CT-id_4025398,4025398_OpenMolecule	154.17	HERHZCJRQOXJQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001372
C1Cc2nnnn2CCC1O	SCHEMBL13730609,PC-id_89156965	154.17	QVTWGOJYTUEXBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001373
C1CNc2c(CN1)[nH]c(=O)[nH]2	PC-id_90244219,SCHEMBL15828406	154.17	BXZPPBGAXMMNRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001374
C1COC(Nc2ccnn12)N	PC-id_136386940,SCHEMBL1933372	154.17	BWZQKZFZFGFGKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001375
CC1CNc2nonc2CN1	PC-id_137234994	154.17	QTLNFQXZHYDNNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001376
C[C@H]1CNc2nonc2CN1	PC-id_136305540	154.17	QTLNFQXZHYDNNI-BYPYZUCNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001377
C[C@@H]1CNc2nonc2CN1	PC-id_137263662	154.17	QTLNFQXZHYDNNI-SCSAIBSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001378
CN1CCNc2nonc2C1	PC-id_136920745	154.17	QWJXASBIFFJXGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001379
n12CCNCCc1n[nH]c2=O	PC-id_45158733,EMOLS-id_43633641,SCHEMBL399412,ZINC22_20445365,MCULE-2217622913	154.17	NXARAJDGBBUYRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001380
O1CCCn2c(nnc2N)C1	PC-id_84649934	154.17	LQDXKLSGECHCKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001382
O1CCn2c(nnc2N)CC1	PC-id_84649933	154.17	NGJYHIOPCQRPAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001383
OC1CNCCn2nncc12	PC-id_82416643	154.17	FBNWISVYILHERH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001384
O=c1[nH]nc2n1CCCNC2	PC-id_117274075	154.17	KWUWJSAWORMPAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001385
C1=COc2c(OC1)csc2	SCHEMBL5730351,PC-id_22222142	154.186	NFUNBGGWFCGFOP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001386
C1OOc2c(C=C1)scc2	PC-id_140292163	154.186	JINAZFUIBIQDAU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001387
O=c1[nH][nH]c2CC[NH2+]CCc12	PC-id_51653409	154.19	WUOZWHQSSQVLPW-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-001388
c12-c(ccc1)ccccc2C=C	PC-id_13199310	154.208	QFVFITZAEFFRLU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001389
c12-c(ccc1=C)cc(=C)ccc2	PC-id_85643857	154.208	HYABKYXQPLJOMG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001390
c12-c(ccc1=C)cccc(=C)c2	PC-id_85643860	154.208	LBLMADXNAUIJJG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001391
c12-c(cc(=C)c1)ccccc2=C	PC-id_85643867	154.208	GODFGOFRALRRPA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001392
c12-c(cc(=C)c1)ccc(=C)cc2	PC-id_71332961	154.208	MTAMADSBCQBVCW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001393
c12-c(cc(=C)c1=C)ccccc2	PC-id_85835368	154.208	ITRQSSOPSBKOTF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001394
C=Cc1cc2-c(c1)ccccc2	PC-id_101376061	154.208	KQMZHQYGWTVOER-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001395
C1CCc2c(CO1)ccs2	SCHEMBL18723792	154.229	JXRXUMQFWFIBTR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001396
C1CCc2c(OC1)csc2	PC-id_145652919	154.229	XZXNAHAENNYJGW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001397
s1c2c(CCOCC2)cc1	PC-id_83815426	154.229	WHMWBBQDEPYSBG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001398
S1CCc2c(CC1)coc2	PC-id_24977595	154.229	ZHUHPHJFFSWXEQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001399
c12CNCCNc1ccs2	PC-id_50986279,MCULE-7201811667,EMOLS-id_31708328,SCHEMBL6512096	154.233	XHVSEUAVFGBJMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001400
C1Cc2c(CSC1)cn[nH]2	SCHEMBL15828455,PC-id_90244266	154.233	OIIGBTKBBFPDAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001401
C1Cc2c(CSC1)[nH]nc2	PC-id_90244228,SCHEMBL15828416	154.233	VIZAHFPWSYAQKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001402
C1CCc2c(CN1)ncs2	SCHEMBL3533710,PC-id_68679711	154.233	UZDSSCBDDNFAMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001403
C1CCc2c(CN1)scn2	PC-id_68701703,SCHEMBL3582148	154.233	VBIOYCONZMLRDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001404
C1CCc2c(NC1)scn2	PC-id_19092722,SCHEMBL3581414	154.233	VJCQMWMITJQMGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001405
C1CCc2n(CS1)ccn2	PC-id_142514454	154.233	WQDMOZSXHQHJEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001406
C1Cn2cncc2CSC1	PC-id_90244262,SCHEMBL15828451	154.233	UBTQALSKNZDOOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001407
C1CNc2c(CN1)ccs2	SCHEMBL17081014,PC-id_118369214	154.233	UKKKJMKYEFFKIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001408
C1CNc2c(CS1)cc[nH]2	SCHEMBL15828418,PC-id_90244230	154.233	JROAIYJRQHTPIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001409
C1CNc2c(CS1)[nH]cc2	PC-id_90244267,SCHEMBL15828456	154.233	WLHRDZOJZLFDKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001410
C1CNc2c(NC1)ccs2	PC-id_96223346	154.233	GIVHYXJXJNMUQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001411
C1CSc2n(CC1)cnc2	PC-id_142514465	154.233	YSNLQSAUKYUKMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001412
C1CSc2n(CC1)ncc2	PC-id_142514435	154.233	ATWVFPMQIYYYEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001413
c1nc2c(s1)CCNCC2	PC-id_22620747,MCULE-4831717901,SCHEMBL550241,ZINC22_39134663	154.233	UEPDSFGZZGGLJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001414
S1CCn2c(ncc2)CC1	PC-id_12397481	154.233	CVMZYSMRUJZOGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001415
S1NCCCc2c1c[nH]c2	PC-id_54317530	154.233	SPHCHMRCEYAWJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001416
s1nnc2CCCCCc12	PC-id_12206277	154.233	HIXPLVOMHRLZAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001417
C1CCc2c(CC1)sc[nH+]2	PC-id_144585416	154.253	UMWKPIKCOCKMIH-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-001418
s1c2CCCC[NH2+]c2cc1	PC-id_51731079	154.253	BXQBADSCRTXJPX-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-001419
s1c2CCC[NH2+]Cc2cc1	PC-id_51901836	154.253	QCMKVZZHNHJLAQ-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-001420
CC1=CC=c2c(=C(C1)[B])cc[nH]2	PC-id_145528773	155.004	ZWIWWPRTCIMHMR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001421
C1=CC=NC2=CC(=NC2=C1)C#N	PC-id_162368560	155.048	PYHZBPAYUQFNDN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001422
C1=CN=CC=C2C1=CN=C2C#N	PC-id_151056707	155.048	MFHDJYVRQWEAKD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001423
C1COCc2c(N1)[nH]c(=O)[nH]2	SCHEMBL15828415,PC-id_90244227	155.155	PTGIYDQFHGWHDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001424
o1nc2n(CCNCC2)c1=O	PC-id_82651823	155.155	FUWJNAOQMCWURA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001425
O=c1n2c(COCCC2)n[nH]1	EMOLS-id_317490909,SCHEMBL20112527,MCULE-3559177589,PC-id_134474256	155.155	JTJHSGSQNANCOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001426
FC1CCn2c(CC1)ncn2	SCHEMBL18501336	155.173	IOMFGKDVDUOGPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001427
FC1CCn2c(CC1)nnc2	SCHEMBL16253535,PC-id_117709823	155.173	SPLAGDFENUJMTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001428
FN1CCCn2c(C1)cnc2	SCHEMBL16373622,PC-id_117801716	155.173	SLMGHMGFPQGGBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001429
o1[nH][n+]2CCCCCc2c1=O	PC-id_58625037	155.174	LOPCUBDUAMSLAA-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-001430
C=c1[n-]c(=C)c2c1c[cH+]ccc2	PC-id_138480659	155.196	WZUCCWUVEQXZJG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001431
C=c1[nH]c(=C)c2=CC=C=CC=c12	SCHEMBL20827728	155.196	VZNCMBCZZGUHBZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001432
n1c2-c(cc(ccc2)C=C)cc1	PC-id_18917787	155.196	FZAZGIMMXDGBCK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001433
C1Cc2c(CSC1)cno2	PC-id_90244243,SCHEMBL15828431	155.217	ZAQNWWAGKDGXBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001434
C1CCc2c(OC1)scn2	SCHEMBL3535524,PC-id_68680357	155.217	GLEWKUMWAWXYCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001435
C1CNc2c(CO1)ccs2	PC-id_57824624,SCHEMBL8253986	155.217	KHXRPVVTSSFICH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001436
C1COc2c[nH]cc2SC1	SCHEMBL13357771,PC-id_89067390	155.217	STXOVDJCBAUAIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001437
C1CCNc2c(C1)nns2	PC-id_136305537	155.221	RFODALXOYNAOFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001438
C1CNc2c(CS1)c[nH]n2	SCHEMBL15813456,PC-id_136348413	155.221	DXSQTDLEZHBWIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001439
C1CNc2c(CS1)[nH]nc2	SCHEMBL15828441,PC-id_90244252	155.221	FYTJXSAVGJLGGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001440
s1nnc2CCCNCc12	PC-id_84650218	155.221	QEBVNNJQHXTEKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001441
s1c2c([NH2+]CCNC2)cc1	PC-id_52420970	155.241	XHVSEUAVFGBJMH-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-001442
c1ccc2-c(c(cc2)[Si])cc1	PC-id_89543935	155.248	JLZCFJUWQBDVOB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001443
C1=Cc2c(C#CC1C#N)nco2	PC-id_163845791	156.032	OQALXZKSORSXFF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001444
C1CC2=C([NH2+]NC1)SC=N2	PC-id_163975755	156.059	STYZDQGMOVMRIL-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-001445
CC1=C2C(=CC=CC=C2C=C1)C	PC-id_154244266	156.094	SDRIKXQKXNOTNQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001446
CC1OCc2nonc2CO1	ZINC22_196209425,PC-id_12721394	156.139	ADVFXGNKIIQNHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001447
FC1CCn2c(CC1)nnn2	PC-id_71467863,SCHEMBL13895514	156.161	LGMKOIGGMJTTTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001448
O=C1CC([2H])([2H])n2c(C(C1)([2H])[2H])nnn2	PC-id_117709862,SCHEMBL16253577	156.179	TUXUFSNMWGDQKP-BYUTVXSXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001449
c12-c(ccccc1)ccc2C=O	ZINC22_36404150,EMOLS-id_68864240,PC-id_11744870,SCHEMBL224642,MCULE-1370315909	156.181	CZRXLQPVJOJLML-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001450
c1ccc2-c(ccc2)c(=O)cc1	PC-id_89941205,SCHEMBL15437890	156.181	HUXOZERAUUVCBS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001451
o1c2ccc1CC#CCC#CC2	PC-id_11093806	156.181	MFEJPONHLZMBEZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001452
O=c1ccc2=c1cccccc2	PC-id_141049957	156.181	HDQHAWGBLFVYRV-UHFFFAOYSA-N	00000001100000000110000000000010000000000000000000000000	31-01-001453
O=Cc1c2-c(ccc2)cccc1	PC-id_13624219,SCHEMBL5711323	156.181	CTGDIWHSILYUNQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001454
O=Cc1cc2-c(c1)ccccc2	SCHEMBL5446914,PC-id_12674012	156.181	MOIKTCZDRKBPGR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001455
O=Cc1cc2-c(ccc2)ccc1	PC-id_17855262	156.181	PIMSCHPMEIWQFS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001456
O=Cc1ccc2-c(cc1)ccc2	SCHEMBL5711166,PC-id_13624221	156.181	FNAUNNJXVNJAGT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001457
N(=N)c1cc2-c(ccc2)ccc1	PC-id_70614103,SCHEMBL11576185	156.184	ZJJZXPJIMHATDT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001458
C1CCc2c(OO1)csc2	SCHEMBL5419781	156.202	NTITVTFNENQQNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001459
C1COc2c(OC1)ccs2	PC-id_101271924	156.202	DCUUTXVMQBWAFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001460
C1COc2cscc2OC1	MCULE-5091204615,SCHEMBL3397264,ZINC22_39017304,PC-id_87787320,EMOLS-id_528247	156.202	WNOOCRQGKGWSJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001461
C=c1[nH]c(=C)c2c1c[cH+]ccc2	PC-id_138480660	156.204	MCSCWFWUBAJXHH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001462
C1CNc2c(CS1)cno2	PC-id_136634635,SCHEMBL15828427	156.206	ZZEWWGYOASTIQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001463
S1CCCCn2nnnc12	PC-id_85803001	156.209	WHZRIZOZBKZUDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001464
CC1CC([2H])([2H])n2c(C(C1)([2H])[2H])nnn2	SCHEMBL16253563,PC-id_117709850	156.222	HYYZEIAQXFMFAG-JAJFWILCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001465
c12-c(ccc1C)ccc(cc2)C	PC-id_10855725	156.224	LHUAPYYTVFDUKN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001466
c12-c(ccc1C)cc(ccc2)C	PC-id_20679754	156.224	FXQCXIAQAQJXOM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001467
c12-c(cc(c1)C)ccccc2C	PC-id_22415589	156.224	RMUYNPJYBVUSOU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001468
c12-c(ccc1C)cccc(c2)C	PC-id_53967649	156.224	JPJPFFGHPBEDNS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001469
c12-c(cc(c1)C)ccc(cc2)C	PC-id_59815343	156.224	JSEKRQGOYPFGKE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001470
c12-c(c(cc1C)C)ccccc2	PC-id_11040938	156.224	PLBSJUFRXQHZSB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001471
c12-c(c(cccc1C)C)ccc2	PC-id_138958	156.224	YSKMWUCVEPTNQM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001472
c12-c(ccc(c(c1)C)C)ccc2	PC-id_139185	156.224	VHVMFXXBOBUTCJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001473
c12-c(cc(ccc1C)C)ccc2	PC-id_142670	156.224	PLMWFCWWHSUWGR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001474
c12-c(cc(cc(c1)C)C)ccc2	PC-id_143378	156.224	UOMIRMOUTXPRSR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001475
c12-c(cccc(c1C)C)ccc2	PC-id_143379	156.224	IAELMJNZFTWGJV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001476
c12-c(ccc(cc1C)C)ccc2	PC-id_143380	156.224	QWYAXWAVQWVDEX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001477
c12-c(ccc(CC)cc1)ccc2	PC-id_85898902	156.224	PDYKLHAGPRONDB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001478
c1(c2-c(cc1)ccccc2)CC	PC-id_10261329	156.224	JJIWDEGOZQOSJU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001479
c1(c2-c(cc1C)ccccc2)C	PC-id_12463691	156.224	JEHYYWCGRPCFEF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001480
c1(cc2-c(c1)ccccc2)CC	PC-id_12571420	156.224	FFJMBSDTSVGLBH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001481
Cc1ccccc2-c1ccc2C	UNPD34888,OSADHI_2308,PC-id_6429347	156.224	FKBGSRCZHMNHGG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001482
CCc1ccccc2-c1ccc2	PC-id_121006578	156.224	VIBQUVPILDEQQH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001483
CC1(C)C=Cc2c(C=C1)cb[nH]2	PC-id_145099309	157.02	YRGIFLJZKWLESA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001484
C1C[OH+]C2=CSC=C2OC1	PC-id_164069066	157.032	WNOOCRQGKGWSJE-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-001485
Cn1ccc2=CC=CC=CC=c12	PC-id_164142693	157.089	YXQZWIFSXVDQOU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001486
c1ccc2-c(nc(c2)C=O)cc1	SCHEMBL6692350,PC-id_88029239	157.169	NWVAYUWZVKSZDB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001487
O=Cc1c2-c(nc1)ccccc2	PC-id_20030505,SCHEMBL6692347	157.169	LAHVCKMDBFXDEI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001488
O=Cc1cc2-c(ncc2)ccc1	SCHEMBL9665633,PC-id_23049656	157.169	WFJUDVPBGIJMOZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001489
C#Cc1cnc2n1N=CC=CC2	PC-id_144647370	157.172	WETALCIVPCWZKZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001490
N#CC1=CCc2c(C=C1)nc[nH]2	PC-id_143673786	157.172	WDIYTUPESYDGBA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001491
N#CC1=CN=c2c(=CC1)cc[nH]2	PC-id_143712605	157.172	VLAMMZDRXJZDPH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001492
[2H]C1COc2c(OC1)csc2	SCHEMBL5150792	157.208	WNOOCRQGKGWSJE-MICDWDOJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001493
Cc1cc2-c(c1N)ccccc2	PC-id_139949700	157.212	JGFZRBPDUWFXOQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001494
CC1=Cc2c(C=CC=C1)[nH]cc2	PC-id_89821530,SCHEMBL15280188	157.212	HCQXHIRLUXUKAD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001495
CC1=CC=c2c(=CC=C1)cc[nH]2	SCHEMBL18850114,PC-id_137218571	157.212	GYHDJPNHLVIGRD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001496
Cc1cccc2-c(c1)ncc2C	SCHEMBL13680761,PC-id_57834178	157.212	GRLTZTMODUHCQP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001497
C=CC1=Cc2c(C=CC1)[nH]cc2	PC-id_91606398	157.212	DPXDDNKCFHELQO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001498
Cn1cc(c2=CC=C=CC=c12)C	PC-id_143387311	157.212	BXSRPTHTSRELLM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001499
CNc1ccc2-c1ccccc2	PC-id_67119545,SCHEMBL1680278	157.212	YQGDFGKFYCUXGX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001500
[B]C1=Cc2ccsc2CC=C1	PC-id_145670501	158.028	DNFWOIDDZUULOL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001501
o1occ2-c(cp1)coo2	SCHEMBL17513145,PC-id_118878626	158.049	CPODPYQEGYLOCE-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001502
C1C=C(C=Cc2ncnn12)C#N	PC-id_164142908	158.059	YXVWVTLKWMCRSA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001503
C1C=N/C=CC=CC2=CC=CN21	PC-id_165430302	158.084	XHFLYXSLDQQWPR-YHMZNZJLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001504
CCC1=CN2CC#CC=CC2=N1	PC-id_165134037	158.084	JGPKEEUGLFJFBL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001505
P1OCc2c(CO1)coc2	PC-id_139631704	158.092	UPWRQLBXUJESDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001506
O=Cc1cc2-c(n1)cccnc2	PC-id_140602366	158.157	PLHQBQIZNXWQFL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001507
O=Cc1nc2-c(c1)ncccc2	PC-id_142153633	158.157	WERYVIFJBMYUNY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001508
C1N=CC(=Cc2n1cnc2)C#N	PC-id_57231318,SCHEMBL11039594	158.16	QYHPXYUTDYVBKO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001509
C1COc2c(OO1)ccs2	PC-id_87893274,SCHEMBL5800071	158.175	OVZWOOXCXAUCJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001510
OC1CC([2H])([2H])n2c(C(C1)([2H])[2H])nnn2	PC-id_117709861,SCHEMBL16253576	158.194	QVTWGOJYTUEXBO-BYUTVXSXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001511
C1=CC=Cc2c(C(=C1)C)cco2	PC-id_90482445,ZINC22_45070849,MCULE-8833149376	158.196	GXSGZMFMXSPQJQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001512
Oc1cc2-c(c1C)ccccc2	PC-id_139949725	158.196	DEQVDYZWLSXLER-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001513
Oc1cccc2-c(c1C)ccc2	PC-id_139949735	158.196	SWECRXLMMQICHC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001514
c1cc2-c(ccc2)cc(c1)CO	OSADHI_2366,SCHEMBL18297788	158.197	YTJZRHVGZOVOMX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001515
Cc1c2C=CC=CC=Cc2co1	SCHEMBL5794774,PC-id_87892234	158.197	WWBIPEVEIXKDQQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001516
Cc1cc2c(o1)C=C=CC=CC2	PC-id_142891709	158.197	SSVNJTIKPUSIDD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001517
COc1ccc2-c1ccccc2	SCHEMBL1680715,PC-id_56622101	158.197	MDXRQPIMRFEFKI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001518
COc1cccc2-c(c1)ccc2	SPECS-id_AS-970/QB07907	158.197	DAYYHOFBUNDIQA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001519
Oc1c2-c(cc1)ccc(cc2)C	PC-id_85785832	158.197	PBSVLCLCKQTSAS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001520
Oc1c2-c(cc1C)ccccc2	PC-id_85785826	158.197	UKSVHIMRMONSPG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001521
O(c1c2-c(ccc2)cccc1)C	PC-id_12739712	158.197	HSDSVHFKESVWSR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001522
O(c1cc2-c(c1)ccccc2)C	PC-id_10909835	158.197	GZNQLJUHQULRFL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001523
O(c1ccc2-c(ccc2)cc1)C	PC-id_15417643	158.197	LGNDAKHEIBTRFL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001524
Oc1ccc2-c(ccc2C)cc1	PC-id_86148604	158.197	VWERRNUKQYEQKV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001525
OCc1c2-c(cc1)ccccc2	PC-id_17963516,SCHEMBL2046926	158.197	JWCLLPIFLOXQEY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001526
OCc1cc2-c(c1)ccccc2	PC-id_15313838,SCHEMBL5698111	158.197	ZTPJNXPTLDLZNP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001527
OCc1ccc2-c(cc1)ccc2	PC-id_15496573	158.197	ZPXZOEVYONAFBG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001528
c1cc2c(cc[nH]cc1)[nH]cc2	PC-id_91296825	158.2	XMSMPAUUWHJEKX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001529
C1=CC=Cc2n(CC=N1)ccc2	PC-id_45088578,SCHEMBL2400042	158.2	XHFLYXSLDQQWPR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001530
C
=C/C=Cc2n(CC=N1)ccc2	PC-id_97303724	158.2	XHFLYXSLDQQWPR-RVPUZFOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001531
C
=CC=Cc2n(CC=N1)ccc2	PC-id_98079338	158.2	XHFLYXSLDQQWPR-YLKXOLTASA-N	00000000100000000111000000000010000000000000000000000000	31-01-001532
Cc1ccc2-c(cc1)nc(n2)C	PC-id_20064366,SCHEMBL9865288	158.2	AYMCGQDOGNSISA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001533
CC1=C=Cc2n(C=C1)c(cn2)C	PC-id_144457028	158.2	DQWMOYCLTFWVIK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001534
CC1=Cn2ccnc2C=CC=C1	PC-id_91396576	158.2	RKXQVENSQULIFC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001535
Cc1c[nH]c2c1ccccc2=N	PC-id_137197514	158.2	RHCZEIADAANXMJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001536
Cn1cnc2=CC=CC=CC=c12	PC-id_91175773	158.2	DLAOKEFTDOCTIJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001537
Nc1c2-c(cc1N)ccccc2	PC-id_67858407,SCHEMBL9471963	158.2	ZDEVOQAFGGZPJO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001538
Nc1c2-c(c(N)c1)ccccc2	PC-id_57310158,SCHEMBL10336396	158.2	QHISIUNVGDPPEY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001539
Nc1cc2-c(cc(N)c1)ccc2	PC-id_85699321	158.2	FXCVSGIWFWOPHG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001540
Nc1cccc(c2-c1ccc2)N	PC-id_140147507	158.2	SGUJCZGHOJAVGP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001541
N=Cc1c[nH]c2c1CC=CC=C2	PC-id_143340598	158.2	IBRISGHZPBYNHK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001542
[nH]1nc2c(c1C)C=CC=CC=C2	PC-id_13948672	158.2	ITGPKOVPWMABIG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001543
N(N)c1cc2-c(c1)ccccc2	PC-id_55280491	158.2	RAJSUQNLGUOBIV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001544
c1ccc2-c(c(cc2)[SiH3])cc1	PC-id_137330754	158.272	IYSIOHLAFGOKPL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001545
CC1=CC=C2N1C=CC(=O)C=C2	PC-id_154722017	159.068	UNLWRHRLPKLYNJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001546
C/1C=C/C=C/2C(=C/C=C1)N=NN2	PC-id_164038829	159.08	VOJSYEYCKDFZBM-ITSLSSCFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001547
CCC1=CN2C=CN=C2C=C=N1	PC-id_155160987	159.08	IZGBPPLCCCFINZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001548
c1cn2C=COC=C(c2n1)C#N	SCHEMBL13858979,PC-id_89188817	159.145	JCWRLHAZPLLRSC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001549
Cc1c[nH]c2c1ccccc2=O	PC-id_122376370	159.185	LVIRFJPFPPILEQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001550
CCC1=c2ccoc2=CN=C=C1	PC-id_138722166,SCHEMBL21100534	159.185	QCRQMXKSRVVWJF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001551
CCC1=Cc2occc2N=C=C1	PC-id_138722307,SCHEMBL21100681	159.185	QHWNMKXMVOKDFB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001552
o1[nH]cc2-c1ccccccc2	PC-id_45099186	159.185	SIGSHFLWZQBCRL-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001553
O=c1c2-n(c(c1)C)ccccc2	PC-id_85553194	159.185	HUAGUBTUBGWNSQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001554
O=c1ccc2c(cn(c2)C)cc1	PC-id_13464306	159.185	CHQNPEOONFUXEO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001555
O(c1ccc2-c(nc1)ccc2)C	PC-id_13486332	159.185	OANFLYUKLQEUGH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001556
O=c1ccc2n(ccc2cc1)C	PC-id_21827907	159.185	ZLVFMRBCUNTDMP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001557
Oc1cccc2-c(c1)cnc2C	PC-id_144188633	159.185	FGBJXQYGTMAUJH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001558
O=c1n2c(ccc(c1)C)ccc2	PC-id_12422660	159.185	POIDUYXNBSYJTD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001559
O=c1n(c2-c(c1)ccccc2)C	PC-id_14088581	159.185	UDVIANBLGNJHHX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001560
O(c1nc2-c(c1)ccccc2)C	PC-id_85981974	159.185	IGEZRJFXQBBMST-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001561
O=CC1=Cc2c([nH]cc2)C=CC1	PC-id_57101984	159.185	KPWXDNWLEJXYFS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001562
O=Cn1c2c(CC=CC=C2)cc1	PC-id_57213406	159.185	WEGOVOABVNJXGV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001563
Cc1nc2c([nH]1)ccccc2=N	PC-id_135578032	159.188	BHRWQKBNOLATFX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001564
Cc1nc2c([nH]1)ccc(=N)cc2	PC-id_137219207	159.188	UTSIWPUUBVLYQR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001565
C#Cc1cnc2n1NCCC=C2	PC-id_139502771,SCHEMBL21372324	159.188	FDXHZJLIJJEBRT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001566
n1c2-c(cc1NN)ccccc2	PC-id_13551348	159.188	ARPVNKJCMVRJKJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001567
n1c2-c(nc1C)ccccc2N	PC-id_14735945	159.188	LULLQOUIVWHCRT-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001568
n1(N)c2-c(cc1=N)ccccc2	PC-id_10534962	159.188	XGKBKPUAVVPQPA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001569
N#C[C@H]1CC=c2c(=CC1)cn[nH]2	SCHEMBL16326625,PC-id_117766047	159.188	UHWDQIPVEFGLJN-SSDOTTSWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001570
[o+]1c2-c(cc(cc(c2)C)C)cc1	PC-id_85788084	159.204	PSSXTCQHXHYODO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001571
CC1=Cc2ccn(c2C=CC1)C	PC-id_143221505	159.228	FFLDYTCMQMGXLX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001572
CC1=Cc2[nH]cc(c2CC=C1)C	PC-id_142246274	159.228	PLYSQKWGZDXLFL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001573
CC1C=Cc2c(C(=C1)C)cc[nH]2	PC-id_143554716	159.228	ZYKQCQNSFMZCPX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001574
CC1C=Cc2c(C=C1)ccn2C	PC-id_143529590	159.228	CWQCFYITDYOFAW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001575
CC1C=Cc2c(C=C1)cc([nH]2)C	PC-id_144735538	159.228	FMUSBTAYCYALBP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001576
CC1=CC=c2c(=C(C1)C)[nH]cc2	PC-id_142105307	159.228	NMVTURNEPAKVKI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001577
CC1=CC=c2c(=CC1)[nH]c(c2)C	PC-id_141790723	159.228	RXBWKDMTTQWTQI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001578
CC1C=Cc2c(C=C1)[nH]cc2C	PC-id_142246481	159.228	DODGZAPXNDDSHE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001579
CC1(C=Cc2c(C=C1)[nH]cc2)C	PC-id_88999318,SCHEMBL13005242	159.228	OVRCEENZRZJPDU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001580
CC1C=CC(=c2c(=C1)[nH]cc2)C	PC-id_142152425	159.228	TUTAGHPTTFHVRE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001581
CC1(C=CC=c2cc[nH]c2=C1)C	PC-id_91236791	159.228	KDWLCJUMWPCNRN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001582
CC1C=C(C=c2cc[nH]c2=C1)C	SCHEMBL20405826,PC-id_135246104	159.228	BGIPQFXIMMCNAM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001583
CC1C=CC=Cc2c1[nH]cc2C	PC-id_142246408	159.228	RGDQSILFPOOADQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001584
CC1(C)C=CC=c2c(=C1)cc[nH]2	SCHEMBL18411492	159.228	PCGVUVOYSLUIFV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001585
CC1CC=CC=c2c(=C1)[nH]cc2	PC-id_142928072	159.228	HEBXGWNZCOJHFB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001586
CC1(C)C=Cn2c(C=C1)ccc2	PC-id_142191165	159.228	ZIBBRLFVYPABHY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001587
Cc1cn(c2c1C=CC=CC2)C	PC-id_143323479	159.228	CYTUCRNGSQBXDM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001588
Cc1cn(c2=CC=CCC=c12)C	SCHEMBL14625444,PC-id_89385099	159.228	ZECJFQZOYYDUFA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001589
CCc1c[nH]c2c1CC=CC=C2	PC-id_134427039,SCHEMBL20060681	159.228	IUTDMUQTECAKJF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001590
CCc1c[nH]c2c1C=CCC=C2	PC-id_141891042	159.228	AEXGVEVWMIXLSR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001591
CCc1c[nH]c2c1C=CC=CC2	PC-id_143040113	159.228	SVULHZJUEYIGHF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001592
CCc1c[nH]c2=CC=CCC=c12	PC-id_144381566	159.228	OSBJYNVIWLVRBK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001593
C[C@H]1C=CC=c2c(=C1C)[nH]cc2	SCHEMBL19122705	159.228	OUIOWCGFKIVFMY-QMMMGPOBSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001594
Cn1c(C)cc2=CC=CCC=c12	PC-id_143096868	159.228	VQQXIKIZHLUZPK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001595
C1=CC=CC2=C(C=C1)C=CS2	PC-id_153786711,PC-id_144405533	160.035	QIVQJVRPPVOQEP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001596
C1=CC2=CC=C(N2C=CC1=O)N	PC-id_154344703	160.064	DYQRMCFYWGMOEL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001597
CC1=CC=CC=C2C1=NC(=O)N2	PC-id_154201423	160.064	KPIBJSQRWHHUAT-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001598
CC1=C2C(=NC=CN=C2N=N1)C	PC-id_154337581	160.075	NWAWIPMEHXBYNK-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001599
CCC1=CN2C(=NC=N2)N=C=C1	PC-id_155161005	160.075	ZHJZHFUIRQHFHG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001600
CCC1=CC2=C(O1)C=CCC=C2	PC-id_153343903	160.089	PVHQSSCEKPQGPS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001601
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o1c2c(c(c1)C)ccccc2=O	PC-id_12558278	160.169	ZGUCNCLUHBEDQT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001604
o1c2-c(cc1=O)ccccc2C	PC-id_12320100	160.169	PUQRBEBACCYQPM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001605
o1c2-c(c(c1=O)C)ccccc2	PC-id_12868284	160.169	HZWBFGJYRINBRE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001606
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CCC1=C=NC=Nc2c1occ2	PC-id_138745454,SCHEMBL21126938	160.173	UEOFGUZLEDHRAW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001619
Cn1c(=O)nc2-c1ccccc2	PC-id_142157695	160.173	XAWHVSGYWDPIPY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001620
COc1nc2-c(n1)ccccc2	SCHEMBL9866066,PC-id_20064381	160.173	RSTCFFCDNAHPBK-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001621
o1[nH]cc2-c1ccncccc2	PC-id_45099196	160.173	RLMPDSWTUMIDLR-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001622
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O=c1[nH]c2-c(c1N)ccccc2	SCHEMBL13042312,PC-id_59563848	160.173	BDLOVGVSPQWPBH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001626
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O=Cc1n[nH]c2=CCC=CC=c12	PC-id_144413633	160.173	MFKNIFHUHJSCEB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001629
c1cc2c(ccc1=N)nc([nH]2)N	PC-id_137186655	160.176	ZDSGFKVABDIJJX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001630
c1cc2c(c(=N)cc1)nc([nH]2)N	PC-id_135578034	160.176	LNUMRFGPPGKRTP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001631
c1cc(=N)cc2c(c1)nc([nH]2)N	PC-id_137180945	160.176	VSBKWBZGCKEWQL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001632
C1=N/C=C/n2c(CN=N1)ccc2	PC-id_98073915	160.176	DNPQNNNBTVWBCM-VSMDRULRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001633
Cc1cc2n[nH]nc2ccc1=N	PC-id_137180901	160.176	DKEFUUYXFWPTQK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001634
n12c(CN=NC=NC=C1)ccc2	PC-id_45088642	160.176	DNPQNNNBTVWBCM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001635
n1c2-c(nc1N)ccccc2N	PC-id_14735947	160.176	ZDBLCRHYMAGSMV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001636
n1c2-c(nc1N)ccc(N)cc2	PC-id_86255767	160.176	WCXTVAVIFJCVLK-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001637
n1c2-c(nc1NN)ccccc2	PC-id_55279849	160.176	RORDYAOCQRPGPH-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001638
n1(N)c2-c(nc1=N)ccccc2	PC-id_10583089	160.176	GMZSEJLCUISOSC-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001639
N#C[C@H]1CC=c2c(=CC1)nn[nH]2	SCHEMBL16326501,PC-id_117765963	160.176	OSJVGSBXIZJUQG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001640
Fc1c2-c(cc1C)ccccc2	PC-id_15257560	160.188	NKISQHKIFQXFPM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001641
Fc1c2-c(c(c1)C)ccccc2	PC-id_15257567	160.188	IFIWXFQWXMPQPI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001642
CC[n+]1nc2-c(ncccc2)c1	PC-id_137147165	160.196	MLSQMURWLFVDDF-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001643
[n+]1(N)c2-c(cc1N)ccccc2	PC-id_10713491	160.196	XGKBKPUAVVPQPA-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-001644
CC1=Cc2ccoc2C(C=C1)C	SCHEMBL8283184,PC-id_70332895	160.212	WOLQLJYPAOORBT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001645
CC1C=Cc2c(C=C1)cc(o2)C	PC-id_143157668	160.212	RSTHEVZVMLMXSZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001646
CC1C=Cc2c(C=C1)occ2C	PC-id_143542563	160.212	KJTKMOSVOFXKFA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001647
CC1C=CC=c2c(=C1)cc(o2)C	PC-id_141956043	160.212	XQGKFDWFDPVBTL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001648
CC1(C)C=Cc2c(C=C1)cco2	SCHEMBL18520160	160.212	VXCMFPWVADIDAL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001649
CC1(C)C=Cc2c(C=C1)coc2	SCHEMBL21447912,PC-id_139569467	160.212	RCFKHPVDLSRNAC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001650
CC1(C)C=CC=c2c(=C1)cco2	PC-id_141904829	160.212	IRSJIEGLUMSLHT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001651
Cc1oc2c(c1)C(=CCC=C2)C	PC-id_142164489	160.212	TWSYFSNWASBCCF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001652
o1c2c(CC(=CC(=C2)C)C)cc1	PC-id_71380194	160.212	MTXZQGDKHQXKKW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001653
o1c2c(C=C(CC(=C2)C)C)cc1	PC-id_71380195	160.212	JGLPJQRTIZSUHK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001654
CC1=c2ncn(c2=CCC=C1)C	PC-id_144897686	160.216	BBLCLGMFMSGJRR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001655
CC1=Cc2c(CN=C1)[nH]c(c2)C	SCHEMBL15966119,PC-id_90352605	160.216	FIUNYNGVKRDIPM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001656
CC1C=Cc2c(C(=C1)C)nc[nH]2	PC-id_143044076	160.216	XOJSWDLQXRXUTO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001657
CC1C=Cc2c(C=C1)nc([nH]2)C	PC-id_141783953	160.216	YETVXFOBEAGASO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001658
CC1=CCc2c(C=C1)nc([nH]2)C	PC-id_145657590	160.216	XXUWLWCYPCNSCG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001659
CC1(C=Cc2c(C=C1)nc[nH]2)C	SCHEMBL13574508,PC-id_89121404	160.216	FVDRGBSQLUTTAA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001660
CC1=CC=c2c(=CC1)nc([nH]2)C	SCHEMBL20706985,PC-id_137466708	160.216	KKKSVZWNNDVSHI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001661
CC1=CCc2c(C=C1)nn(c2)C	PC-id_143224015	160.216	BYBAPBGYAPWHPG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001662
CC1C=Cc2c(C=C1)n[nH]c2C	PC-id_142907795	160.216	SIRPMBGDRPAUCY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001663
CC1C=CC=c2c(=C1)ccn2N	PC-id_143854676	160.216	CGXUXBDTENYCSS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001664
CC1C=CC=c2c(=C1)cnn2C	PC-id_144029857	160.216	RDCCJSMZMWNCHJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001665
CC1C=C(C=c2c(=C1)nc[nH]2)C	PC-id_135246009,SCHEMBL20405730	160.216	FZUWJVHSMRHBDW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001666
CC1C=CC=c2c(=C1)nc([nH]2)C	PC-id_137466736,SCHEMBL20707015	160.216	URSNDQPDLBAKKB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001667
CC1(C)C=Cc2c(C=C1)cn[nH]2	SCHEMBL18435062	160.216	CAXQEPUTRSXRFF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001668
CC1(C)C=Cc2c(N=C1)cc[nH]2	PC-id_144168316	160.216	LSRKIVWFTRBQIX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001669
CC1(C)C=CC=c2c(=C1)cn[nH]2	PC-id_141996151	160.216	GXQFVYCJDLRNBH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001670
CC1(C)C=CC=c2c(=C1)[nH]nc2	PC-id_142875348	160.216	RRKCSRMUSARMTI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001671
CC1C=C(C)C=c2c(=C1)[nH]nc2	PC-id_144104038	160.216	QLBLVJNNEOPNAU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001672
CC1(C)C=CC=c2c(=N1)cc[nH]2	PC-id_70309809,SCHEMBL8226411	160.216	HORNZQBFQYSINX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001673
CC1(C)C=Cn2c(C=C1)ccn2	PC-id_142116655	160.216	HRPICLARENHFQM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001674
CC1CC=Cn2c(C=C1)ncc2	PC-id_144615332	160.216	JXOAWWCDHJHBAP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001675
CC1(C)C=Cn2c(C=C1)ncc2	SCHEMBL20937511	160.216	SIOUAZBZWDWVKA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001676
CC1(C)C=CN=c2c(=C1)cc[nH]2	PC-id_143500219	160.216	QXHFHAHWGPAEIS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001677
CC1=CCC=Nc2n1c(C)cc2	PC-id_143942473	160.216	MBHARKSXZNMGGJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001678
CC1(C)C=NC=c2c(=C1)cc[nH]2	PC-id_143248711	160.216	QECBKWINTWKQBV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001679
Cc1cn2CCC#CCCc2n1	SCHEMBL15025646,PC-id_89624196	160.216	SDIPBHPWKKHISA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001680
CC1=Cn2c(C)ncc2CC=C1	PC-id_145356876	160.216	YYKLUMLIBFKEID-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001681
Cc1cnc2n1CCC#CCC2	SCHEMBL15033115,PC-id_89630255	160.216	GUGXBZDGXUXREH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001682
CC1(C)N=CC=c2c(=C1)cc[nH]2	PC-id_143253514	160.216	DSKKIGHADACFIB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001683
Cc1nc2c([nH]1)CCC=CC=C2	PC-id_142919005	160.216	DWHJAUCXTCFKJG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001684
CC1(N)C=Cc2c(C=C1)cc[nH]2	PC-id_143776073	160.216	SBIFAYOVPRBSNS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001685
CC1(N)C=CC=c2c(=C1)cc[nH]2	PC-id_143288856	160.216	WRBSBWAMYIJUCA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001686
CC1(N)C=Cn2c(C=C1)ccc2	PC-id_143776090	160.216	HVAMXUJHVDKISQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001687
Cc1nn2c(c1C)C=CCC=C2	PC-id_143130042	160.216	DNJDUQQCIRQELK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001688
CCC1=Cc2c(CC=C1)cn[nH]2	PC-id_143345978	160.216	SRWSFGIPVOBJQV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001689
CCC1=Cc2cn[nH]c2CC=C1	PC-id_143342252	160.216	HJKRKRUPBJAQFW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001690
CCC1=Cc2nccn2C=CC1	PC-id_142447745	160.216	VXSULORTCJGERU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001691
CCC1C=CC=c2c(=C1)nc[nH]2	PC-id_90804615	160.216	MEYFYKLRZJPPJJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001692
CCC1=CCC=Cc2c1cn[nH]2	PC-id_142610325	160.216	REEHHEBEJUOLAA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001693
CCc1nc2c([nH]1)CC=CC=C2	PC-id_143106719	160.216	PABWYWMIRHZZFL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001694
CCn1cc2c(n1)CC=CC=C2	PC-id_143736409	160.216	OCCZCVZLHCRRQX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001695
Cn1c(C)nc2c1C=CC=CC2	PC-id_138509496,SCHEMBL20860629	160.216	NBCCIIYUJUBPKJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001696
Cn1c(C)nc2c1C=CCC=C2	PC-id_144710572	160.216	UQYASTVILLIEOL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001697
Cn1c(C)nc2=CC=CCC=c12	PC-id_143326537	160.216	RXSPKZOQOAUWAI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001698
n12CCCCC(c1ccc2)C#N	PC-id_12795081,SCHEMBL11201084	160.216	XOLAYCCGJGTLAC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001699
n12CCCCCc1cc(c2)C#N	PC-id_82652212	160.216	LPHVDGGMNKTRDT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001700
n12c(CCNC(=C1)C=C)ccc2	PC-id_59807166	160.216	WHVHCCVTZWROJN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001701
n12c(CNC(=CC1)C=C)ccc2	PC-id_59807183	160.216	NKKKOEBIKSOSTN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001702
NC1=CC=c2c(=CC1)ccn2C	PC-id_142426374	160.216	QUTCIYOEYQAQDF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001703
CC1=CC=c2c(=C=C1)ccs2	PC-id_144346651	160.236	BRJLNXPTGLAWQV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001704
CC1=CC=c2c(=C=C1)scc2	SCHEMBL18433317	160.236	GSIGEEGYFHXWHL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001705
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[B]C1CCNc2c(C1=O)cn[nH]2	PC-id_145612913	160.969	FCINVOMYWPXTFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001709
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[N+]1(CCCn2c(C1)ccc2)(C)[B-]	PC-id_44890014	161.032	RKTGEGFLEDIBRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001711
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o1nc(c2c1c(=O)cccc2)C	PC-id_12778085	161.157	LWANMFZDCCIVHI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001728
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O=Cc1cnn2c1N=CCC=C2	PC-id_144446135	161.161	ZRHAMCMLJPEYIH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001730
[n+]1(N)c2-c(nc1N)ccccc2	PC-id_10784755	161.184	GMZSEJLCUISOSC-UHFFFAOYSA-O	00000010100000000111000000000010000000000000000000000000	31-01-001731
CC1C=Cc2c(C=C1)noc2C	SCHEMBL13939556,PC-id_89204055	161.2	QDQQDJSEMMJMPB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001732
CC1=CCc2c(C=C1)oc(n2)C	PC-id_143070371	161.2	KFDNWMQMFRCRIJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001733
CC1C=Cc2c(C=C1)onc2C	PC-id_141811706	161.2	SPNGUDDVQLIVKR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001734
CC1=CCC=c2c(=C1)nc(o2)C	PC-id_143307504	161.2	IHMLJMLJPWZGBZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001735
CC1(C)C=Cc2c(C=C1)cno2	PC-id_143776082	161.2	OSKWSMOQGUSHHH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001736
CC1(C)C=Cc2c(C=C1)con2	SCHEMBL21447909,PC-id_139569464	161.2	TZNLPIATKQCPRX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001737
CC1C=CC=C(c2c1cno2)C	PC-id_143996327	161.2	DIAJONKXQNESPD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001738
CC1(C)C=CC=c2c(=C1)nco2	PC-id_141904833	161.2	MARASWHUENXOKL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001739
CC1(C)C=CC=c2c(=N1)cco2	PC-id_70308181,SCHEMBL8222437	161.2	OQQVSQONYDHPSG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001740
CC1(C)C=NC=c2c(=C1)cco2	PC-id_143253872	161.2	LXBVWWVUWYZLQH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001741
CC1(C)N=CC=c2c(=C1)cco2	PC-id_143253858	161.2	SGLINPKTYJMDOG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001742
Cc1nc2c(o1)C(C)C=CC=C2	PC-id_143667610	161.2	KEGRFRXWBUEASO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001743
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CC1(O)C=CC=c2c(=C1)cc[nH]2	PC-id_143306256	161.2	SVENQCPWVKZOAJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001745
CCC1=Cc2oncc2C=CC1	PC-id_143587884	161.2	AUXOGBKHNBUTHP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001746
CCC1=CCc2c(C=C1)ocn2	PC-id_143587649	161.2	USXFNVUFBAXKIZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001747
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CC1=c2c(C)n[nH]c2=CCC=N1	PC-id_144055162	161.204	OFKPYKGBOBRQKR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001753
CC1C=Cc2c(C=C1)[nH]nc2N	PC-id_143232963	161.204	ASPBKVKDKOISPV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001754
CC1C=Cc2c(C=C1)nnn2C	PC-id_141796861	161.204	FIHVCMQDPZGQNF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001755
CC1C=Cc2c(C=C1)nn(n2)C	PC-id_143454829	161.204	VDUNLTIOTSFTSL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001756
CC1C=Cc2c(N=C1)nc([nH]2)C	PC-id_142966414	161.204	CMMPPKCVDMEVKW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001757
CC1C=Cc2n(C=N1)ncc2C	PC-id_144888960	161.204	AMWWQZRYTFOWLO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001758
CC1(C=Cc2nncn2C=C1)C	PC-id_134515466,SCHEMBL20158964	161.204	PPUDRLOMXGOVNA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001759
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CC1(C)C=Cc2c(C=C1)n[nH]n2	PC-id_142129739	161.204	GPPGOTOGHVEPHS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001762
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CC1C=Cn2c(C=C1)nc(n2)C	PC-id_145675767	161.204	SOLMFVLHZMOOCX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001765
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CC1(C)C=Nc2n(C=C1)ncc2	PC-id_145030251	161.204	DJNOPUGGIAJJHA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001767
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CC1(N)C=c2cc[nH]c2=CN=C1	PC-id_143260133	161.204	ZQIGAGZEOYLTOU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001771
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CCC1C=Cn2c(C=C1)ncn2	PC-id_145141566	161.204	ABCXTKDEZDDZBF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001774
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Cn1c(N)nc2c1C=CC=CC2	PC-id_143900745	161.204	ILGHOVPMKZAKGY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001777
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C1=CC=c2c(=NC=C1)ccs2	PC-id_137210187	161.224	PCLRGAHHHMYWTR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001784
C1=NC=c2c(=CC=C1)scc2	PC-id_139776980	161.224	HZXGDXKNCMYXBX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001785
CC1=Cc2ccsc2N=C=C1	PC-id_138722114,SCHEMBL21100477	161.224	BMOXQQPJBGVUTL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001786
CC1=CC=C=c2c(=C1)ncs2	PC-id_143108303	161.224	DFCJEVWCRVGINO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001787
Cc1nc2c(s1)C=C=CC=C2	PC-id_143946246	161.224	AXOOGUMTIVUHOG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001788
Cc1nc2c(s1)C#CCC=C2	PC-id_144512221	161.224	NIHSUEBZRQCONU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001789
Cc1nc2c(s1)C=CC=C=C2	SCHEMBL19352683	161.224	CZXZUCRVMFBXQQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001790
Cc1sc2=CC=CC=C=c2n1	PC-id_144347596	161.224	RBKHCMRYDMXISQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001791
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C=C1CCCc2c(C1)n(C)cc2	PC-id_89270212,SCHEMBL14195908	161.244	MGQJRRGKHXIYNO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001793
CC1(C)CC=c2c(=CC1)cc[nH]2	PC-id_118401085,SCHEMBL17120781	161.244	SHYOOVRVWJLMBT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001794
CC1(C)CCc2c(C=C1)[nH]cc2	PC-id_141895571	161.244	PFGAIQZZFVDWPW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001795
n1(c2CCCCCc2cc1)C=C	PC-id_12332160	161.244	AMLGVBCJGKQIBX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001796
[B]n1cnc2c1NC=NCC2O	PC-id_89261426	161.957	ACLQIDOHBVPRHQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001797
C1=CC2=C(C(=O)C=C1)SC=C2	PC-id_153916346	162.014	JLONHBWQISQJTG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001798
C1=CC2=C(C(=O)C=C1)OC(=C2)O	PC-id_165357701	162.032	SWFTUOLIGNKHOX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001799
C1=CC2=C(C=NN2)N=[N+](C=C1)[O-]	PC-id_153768723	162.054	MPUPIASSORNEJM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001800
CC1=CC=NN=C2C1=NNC2=O	PC-id_153856177	162.054	NWEPLBZSXJHELH-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001801
CN1C2=NC(=O)C=NC=C2C=N1	PC-id_154267866	162.054	NAMDIOXPSKURFU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001802
CC1C=Cc2nnc(n2C=C1)[O-]	PC-id_163957090	162.067	SEHOVIADZAHAGW-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-001803
CC1(C=C2C(=CN=C1)N=CO2)C	PC-id_154936779	162.079	HJAUFCGBJLOKAT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001804
CC1=CCC2=C(C=C1)NC(=O)N2	PC-id_153633544	162.079	ZAZUEXCMWWIZDC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001805
CN1C2=C(CC=CC=C2)NC1=O	PC-id_155112445	162.079	NSICXUNMJQSUCH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001806
CC1(C=CC2=NN=NN2C=C1)C	PC-id_155030322	162.091	UOYHEONQDPCGMD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001807
CC1(C=CC=C2C(=C1)N=NN2)N	PC-id_163837994	162.091	OJMCLYKFSBPUMV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001808
CC1(C=CC=CC2=NN=NN21)C	PC-id_164876361	162.091	ATBACGADIRTGAO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001809
CC1(C=CN2C(=NC=N2)C=N1)C	PC-id_154936778	162.091	NZFQMLHIIDLFQU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001810
CC1=NN(C2=C1C=NC=CN2)C	PC-id_162265281	162.091	BVXKSHZXMOSIKA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001811
CCC1=NN2C(=N1)C=CCC=N2	PC-id_165133886	162.091	MQHWEEGCYQGSEE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001812
CC1(CCC2=C(C=C1)C=NN2)C	PC-id_154982219	162.116	GIBKJIGMPZPEOY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001813
CNC1=CNC2=C1CCC=CC2	PC-id_153353401	162.116	AZGOVMDKEKKJKX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001814
c1cc2c(cco2)c(=O)c(c1)O	PC-id_137184791	162.142	AWGFLMQSLYQADK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001815
C1=COC=Cn2c1nc(c2)C=O	PC-id_88850688,SCHEMBL11897015	162.145	BGXYWTZQGWQQPV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001816
Oc1c(=O)cc2c([nH]nc2)cc1	PC-id_21825226	162.145	UMIQREWUXXHPDO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001817
O=c1n2c([nH]c(=O)cc1)ccc2	PC-id_13249290	162.145	DITAWLQAQWCRBL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001818
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CC1(N)C=Cc2c(C=C1)nco2	PC-id_143791276	162.189	DIQLUYRGRPWVCY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001846
CC1(N)C=CC=c2c(=C1)nco2	PC-id_145045448	162.189	FIBHVFYQWQTUTC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001847
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CC1(C)C=NC=c2c(=C1)nn[nH]2	PC-id_143288935	162.192	DJHRLJNECPFKDB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001856
CC1C=Nc2n(C=C1)nc(n2)C	PC-id_145675769	162.192	VCEGDGQCNHJKKO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001857
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CC1(N)C=Cc2c(C=C1)n[nH]n2	PC-id_143776092	162.192	DGQWKHSQRKWYIL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001860
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Cn1cnc2c1N=CCC=C2N	SCHEMBL13573359,PC-id_89120892	162.192	DTSGLQGORXLSHP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001862
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O=C1C#CCCc2c1scc2	PC-id_117640825,SCHEMBL16161288	162.208	YXZRIYYMKXPHKG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001867
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C1=Cc2c(ccs2)N=NC=C1	SCHEMBL9204704,PC-id_91871011	162.212	JEJFALIIORVECL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001873
C1=CC=Cc2c(C=N1)scn2	SCHEMBL16380360,PC-id_119077353	162.212	FQAQYYLWSRZXST-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001874
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Sc1nc2-c(n1)ccccc2	SCHEMBL9864898,PC-id_20064365	162.212	OMZDHZMTBMQDGB-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001877
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C1CC/C=Cc2c(CC1)cco2	PC-id_102302912	162.228	JHLSMLGTKJZIQP-ALCCZGGFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001879
CC1(C)CCc2c(C=C1)cco2	PC-id_143533215	162.228	HAZFHEZRRMMMAT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001880
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CC1=CCc2n(CC1)nc(c2)C	PC-id_144863342	162.232	CFQRQHCDGWQFDR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001883
CC1CC=Cc2c(C1)n(cn2)C	PC-id_91050631	162.232	PUTSAGXGDJXWRY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001884
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CC1CCC=c2c(=N1)n(C)cc2	PC-id_141789635	162.232	RJVMTBHXYCFGPL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001887
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CC1=Cc2c(C=CC1)ccs2	SCHEMBL14959636,PC-id_89574925	162.251	WRERVIRNFLDMNJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001890
CC1=Cc2ccsc2CC=C1	PC-id_144512287	162.251	WJWJAJLZLONYLY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001891
Cc1cc2c(s1)C=CCC=C2	PC-id_143798331	162.251	RSJWFGBPOGHWDK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001892
Cc1cc2c(s1)C=CC=CC2	SCHEMBL18433380	162.251	XZAIBJIGODLHIK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001893
CC1C=Cc2c(C=C1)ccs2	PC-id_68056426,SCHEMBL10183523	162.251	AONMFKUIVOWGLJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001894
CC1C=CC=c2c(=C1)scc2	PC-id_143678792	162.251	ZIZCIESEHMAXSG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001895
CC1=CCC=c2c(=C1)scc2	PC-id_145639539	162.251	XIYQQJZEOQMZGO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001896
Cc1csc2c1C=CCC=C2	PC-id_117634150,SCHEMBL16153148	162.251	NMVRZLNZJGNAEC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001897
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Clc1c2-c(cc1)ccccc2	PC-id_641162,SCHEMBL9636468	162.616	QCJVDXMGGFIJEP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001900
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C1C=CC(=CC2=C1C=CN2)S	PC-id_153570639	163.046	ODUWYZXYHJBVTJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001904
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C1CN=CC2=C(C1=NO)C=CN2	PC-id_161394372	163.075	VTKCAEIMYPBJAK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001907
CC1C=CC2=NNC(=O)N2C=C1	PC-id_163957091	163.075	SEHOVIADZAHAGW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001908
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Cc1c(n2CCCC=Cc2n1)N	PC-id_163544123	163.111	FDOIBTJUSPNHEJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001911
CC1=C(N2CCCN=CC2=N1)C	PC-id_153331029	163.111	GNQLZDDCTSVPMP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001912
Cn1c2c(C=CCCCC2)nn1	PC-id_163816794	163.111	NSAIHYWXTQSILO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001913
c1cc2c(cno2)c(=O)c(c1)O	PC-id_136274612	163.13	DLAWIMDABQVRRE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001914
o1[nH]cc2-c1cccc(=O)c2=O	PC-id_45099234	163.13	CPRPRHYZMRNXEA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001915
O=CC1=COC=Cc2c1onc2	PC-id_144186952	163.13	YZAJNARWWCEZFK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001916
c1cc2n[nH]nc2c(=O)c(c1)O	PC-id_136702863	163.133	PGAGYMWUTRHMKB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001917
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c1cc(=O)c(cc2n[nH]nc12)O	PC-id_136702864	163.133	KQLAFAPIERDWAD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001919
Cn1c2c(C=C=NC=N2)oc1=O	SCHEMBL19772759,PC-id_134171515	163.133	WBEMYYOKOXTFSK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001920
Cn1c2c(C=NC=C=N2)oc1=O	SCHEMBL19772774,PC-id_134171526	163.133	AWIBBMMQCJWWHI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001921
O=c1cn[nH]c(=O)c2n1ccc2	PC-id_22637244,SCHEMBL5666343	163.134	SOBPFSDDHGRTKN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001922
O=c1[nH]nc(nc2-c1ncn2)C	PC-id_72795949	163.137	OKBBIPBIJVZZLV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001923
CC1=CCc2c(C=C1)[nH]c(=O)o2	PC-id_141871374	163.173	LTWFDFXWVIJUOG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001924
CC1C=CC=c2c(=C1)oc(=O)[nH]2	PC-id_142969706	163.173	MKJWSCVDVLPVEF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001925
Cc1oc2c(n1)C(=CCC=C2)O	PC-id_142101919	163.173	FLPIEIKCKUOLRS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001926
o1c2CN(C(=O)C=Cc2cc1)C	PC-id_11789539	163.173	KPPSEFDWPLWIJC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001927
O1Cc2n(ccc2)C=COC=C1	PC-id_45088789	163.173	UWLIDKLSXFJZKR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001928
O1/C=COCc2n(/C=C/1)ccc2	PC-id_97303725	163.173	UWLIDKLSXFJZKR-DEQVHDEQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001929
O1/C=C/OCc2n(/C=C
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O1/C=C/OCc2n(/C=C/1)ccc2	PC-id_98091165	163.173	UWLIDKLSXFJZKR-YTXTXJHMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001931
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CC1=CCC(=O)Nc2c1cn[nH]2	PC-id_137195653,EMOLS-id_97196909	163.177	IJLVQKYJJPZMFS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001933
CC1C=CN=c2c(=N1)nc(o2)C	PC-id_143200161	163.177	ZKJCBAXAZIPMKJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001934
CC1(N)C=Cc2c(C=C1)non2	PC-id_143207415	163.177	MENQTGUQXOKJHR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001935
Cn1cc2C(=O)C=CCNc2n1	PC-id_136600765,SCHEMBL15307198	163.177	KAOUDMXGNFLXDN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001936
NC1=Cc2[nH]c(=O)[nH]c2C=CC1	PC-id_142973556	163.177	BUEAHGDTDQUQLB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001937
O1CCCCn2c1nc(c2)C#N	PC-id_82652320	163.177	IFAKKLYILJFTJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001938
O1CCCCn2nc(cc12)C#N	PC-id_82652321	163.177	FFCKLXRAALTZIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001939
OC1c2ncn(c2N=CC=C1)C	PC-id_76723646	163.177	KFFYXFAZSYZVJT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001940
O=C1N(n2c(ccc2)C=NC1)C	PC-id_56613838	163.177	IPNVAYYXRYIURG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001941
O=C1NN=C(Cn2c1ccc2)C	PC-id_71723095	163.177	LUPVJCREHOLXSD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001942
O[C@H]1c2ncn(c2N=CC=C1)C	PC-id_57880827,SCHEMBL13646013	163.177	KFFYXFAZSYZVJT-ZCFIWIBFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001943
C1CCn2c(c(nn2)C#N)NC1	PC-id_137184898	163.18	WBCVYKWSPLKRHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001944
CC1=c2c(=NN(N=C1)C)nc[nH]2	PC-id_137235248	163.18	ALKIRMHSZDRKIF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001945
CC1(N)C=NC=c2c(=N1)nc[nH]2	PC-id_142608902	163.18	OKELQDCISVUCJN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001946
CN=C1Cc2cn[nH]c2N=CN1	PC-id_143312049	163.18	PNJWXXPCRFFEEO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001947
CC1=CC=c2c(=CC1)[nH]cc2F	PC-id_145311612	163.192	QLCISUOCHHYEOB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001948
CC1(F)C=CC=c2c(=C1)cc[nH]2	PC-id_142064678	163.192	UMQNKDYCFHWECL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001949
FC1C=Cc2c(C=C1)ccn2C	PC-id_141793222	163.192	GWPKQYYGVGDQNP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001950
O=c1cc2-c(s1)cccnc2	PC-id_21263376,SCHEMBL7247428	163.196	OZFMLLRRFDOROC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001951
O=c1ccc2c(nc1)ccs2	PC-id_141142291	163.196	DLJURFYGAXCLSI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001952
O=c1cccc2c(n1)ccs2	SCHEMBL19207945	163.196	ROXVHVBMVDBVTA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001953
O=C1C#CCc2c(N1)scc2	PC-id_143122521	163.196	KSIHUMQWSXWLTA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001954
O=c1cccnc2c1scc2	PC-id_140983477	163.196	USGLNXQBKGGOJB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001955
O=c1ccncc2c1ccs2	SCHEMBL4047112,PC-id_68891797	163.196	MSMIKCZIOLNQBY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001956
O=c1nc2-c(s1)ccccc2	NSC44691,PC-id_239540,CoCoCo_5348076,LI_106779	163.196	RMCAUKPOUZTMOV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001957
O=c1ncccc2c1ccs2	SCHEMBL18555874	163.196	BZFOUMLACDGDAV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001958
O=c1scc2-c1ccccn2	PC-id_141142290	163.196	QRQJRXNVJNMAQP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-001959
S=c1oc2-c(n1)ccccc2	PC-id_11286643	163.196	ISJVVIREVZCPLN-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001960
[NH2+]1CCCn2nc(cc2C1)C#N	PC-id_44141768	163.2	YQICKJMTEQUZDM-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-001961
C1CC=CCCc2onc(C)c12	MS2_L159808,ZINC22_2518859,MCULE-5045777617,SCHEMBL20507213,SCHEMBL20507214,PC-id_4393047	163.216	IMOIIHXEFQLCEV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001962
CC1CC=Cc2c(C1)oc(n2)C	PC-id_143503577	163.216	MZWFFBOVJQZCRM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001963
CC1CCCn2c(C1=O)ccc2	SCHEMBL14249861,PC-id_89287999	163.216	NKTWLWYLMOZMOW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001964
Cn1cc2c(c1)CCCCC2=O	PC-id_83207591,EMOLS-id_96577312	163.216	ZDYNKSFWCVEVAY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001965
O=C1c2c([nH]cc2C)CCCC1	PC-id_85766924	163.216	APXVTERPKHRECZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001966
O=C1CCCc2[nH]ccc2CC1	PC-id_11954640	163.216	JWBCKSQOTAHBID-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001967
O=C1CCCCc2c1cc([nH]2)C	PC-id_142166598	163.216	HWFIRTGONLZWQD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001968
O=C1CC(CCn2c1ccc2)C	PC-id_60200803	163.216	BEBWBIMYDOANJG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001969
O=Cc1cn2CCCCCc2c1	PC-id_83480409	163.216	CEFSDMIPYCCJGW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001970
O=Cc1n2CCCCCc2cc1	PC-id_15313502	163.216	WPZFXKZNQUGQBK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001971
O=Cc1[nH]c2CCCCCc2c1	PC-id_84013607	163.216	HCLKLBPBJDVYEB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001972
[2H]c1ccc2-c(cc1)nc(=S)[nH]2	PC-id_101072527	163.218	OMZDHZMTBMQDGB-MICDWDOJSA-N	00000010100000000111000000000010000000000000000000000000	31-01-001973
C
=CCCc2c(CCC1)[nH]nn2	SCHEMBL18761573	163.22	VBSJIWPNVNLKRK-UPHRSURJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001974
CC1(CCc2n[nH]nc2C=C1)C	PC-id_91313728	163.22	TVZZAKKBZQJHBI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001975
CC1CCCc2c(C1=N)cn[nH]2	PC-id_137104540	163.22	OJMYSNUNCFAVJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-001976
Cn1c2c(CCCC=CC2)nn1	SCHEMBL14984405,PC-id_89594605	163.22	FUBISTWYEFLSNW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001977
CN1CCC=Cn2c1nc(c2)C	PC-id_144175168	163.22	WJIVYJDIINRGIK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001978
Cn1nnc2c1C=CCCCC2	SCHEMBL17346539,PC-id_118585343	163.22	TUCOMVIUYXWJIV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001979
Cn1nnc2c1CCCC=CC2	SCHEMBL19576177	163.22	GOZQPLXJDRIICG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001980
CC1=Cc2c(C=CC1)ncs2	SCHEMBL14959635,PC-id_89574924	163.239	AXMLQGHEEORZDG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001981
Cc1cc2c(s1)C=CCC=N2	PC-id_143900440	163.239	NHRGRTOUBQCXPJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001982
CC1C=Cc2c(C=C1)cns2	SCHEMBL19202463	163.239	WUBQUVPCPWGPOS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001983
CC1=CCc2c(C=C1)cns2	SCHEMBL19337373	163.239	GYZFELYYYJGLQV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001984
CC1C=Cc2c(C=C1)ncs2	PC-id_143950585	163.239	SYQYAQNBPXPPLK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001985
CC1=CCC=Cc2c1ncs2	PC-id_145219774	163.239	XXPWMQRJRHYKBJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001986
CC1=CCC=Cc2c1scn2	PC-id_145127761	163.239	ZQJLCZNKNTZDLX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001987
Cc1nc2=CC=CCC=c2s1	PC-id_142811939	163.239	PZTHYDXJJYXKBA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001988
Cc1nc2=CCC=CC=c2s1	PC-id_143075322	163.239	ISXYCBPJQRVEAL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001989
Cc1nc2c(s1)C=CC=CC2	PC-id_142986995	163.239	BJLNACNJEFXOSO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001990
CC1=NC=CCc2c1ccs2	PC-id_143740759	163.239	HWGACPVGIBRZIY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001991
Cc1nsc2c1C=CCC=C2	PC-id_144466575	163.239	MDTPIVJDGRFNCK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001992
Cc1nsc2=CCC=CC=c12	PC-id_145296574	163.239	UUZWTQFBNQEIBH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-001993
s1c2c(CC(=CC=C2)N)cc1	PC-id_70606548	163.239	RLDCRZCJNPVHON-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001994
SC1=Cc2[nH]ccc2C=CC1	PC-id_141861939	163.239	AVVJPFPGIITYNX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-001995
C1CCCc2[nH]cc(CCC1)c2	PC-id_18177033,SCHEMBL3876981	163.259	NQMBJXLPQUOEAP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001996
CC1CCc2c(CC1)[nH]cc2C	SCHEMBL20929809,PC-id_138571753	163.259	WXZIPUSHCFTGTL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001997
Cc1[nH]c2c(c1)CCCCCC2	PC-id_139425129,SCHEMBL21284842	163.259	FKSAKZQMCBNBFB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001998
Cn1ccc2c1CCCCCC2	PC-id_143055398	163.259	ATTBGJGZDCYJIF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-001999
[nH]1c2c(CCCCC2)cc1CC	PC-id_70680087	163.259	GRNAUCNPMIKKPA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002000
Clc1nc2-c(c1)ccccc2	PC-id_12269599	163.604	GGYZUNREKFJCBU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002001
O[C@@H]1CNC=Nc2c1ncn2B	SCHEMBL14149384	163.973	WALCIVCLSIGPDL-SCSAIBSYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002002
C1=C2C(=CC(=O)S2)C=NN=C1	PC-id_153735510	164.004	BQNXDAWTLNETIO-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-002003
C1=CSC2=CN=CC(=O)N=C21	PC-id_153826446	164.004	LJKNSZUTDOUDBQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002004
C1=NC2=C(C(=S)N=C1)NN=C2	PC-id_150487073	164.016	HVABOVAKQLJRRD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002005
C1C(=O)N=C2C=NNC2=NC1=O	PC-id_153932322	164.033	HWAAFJQJFZAWLK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002006
C1CC(=O)C2=C(C(=O)C1)OC=C2	PC-id_161952872	164.047	VZGMDVVIBOXBJC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002007
[N+]1(CCCn2c(C1)ccc2)(C)[BH3-]	PC-id_3709661	164.056	HAANAZCSVVSIMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002008
s1c2CC[B]CCc2nc1C	PC-id_58164879	164.056	OAORCAMDAQEBIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002009
C1OC=CC2=C(C=CO1)N=CN2	PC-id_154445953	164.059	UBUJDNDLAJZVIP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002010
CC1=NCN=c2c(=C1)onc2N	PC-id_164106811	164.07	XTMOZCAQJFFQRZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002011
Cn1cnc2c1N=CNC(=O)C2	PC-id_164044095	164.07	VSTCVKHLUBSLDN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002012
CC1=Cn2c(ncn2)[N-]N(C1)C	PC-id_164080524	164.094	OOKFGWVYMIOHIM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002013
C1CC2=C(CNC1)C=C(N2)C=O	PC-id_153838940	164.095	OOHNODRAFPDGTH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002014
Cc1nn2CC(=C)CCNc2n1	PC-id_163756696	164.106	LURJOEUDFNZEOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002015
O=c1c2[nH]cnc2[nH]c(=O)nc1	PC-id_70107320,SCHEMBL7487801	164.122	NMDZKLDOZQLREH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002016
O=c1cnc(=O)c2c([nH]1)nc[nH]2	PC-id_69933262,SCHEMBL6904582	164.122	KWSJNJLDLVQJFZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002017
O=c1[nH]cnc(=O)c2c1nc[nH]2	PC-id_139562761,SCHEMBL21440777	164.122	MTPHUSHIFQEMQV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002018
CC1CCC2=CN(N=C2CC1)C	PC-id_153352085	164.131	HOOZTPLPSGBESA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002019
CN1CCCC2=C(C1)C=CN2C	PC-id_165355016	164.131	VLCXVSCSYARBLP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002020
Fc1c2-c(cc(=O)o2)cccc1	PC-id_86188455	164.133	YYZDEGHCGVCVFQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002021
Fc1c2-c(oc(=O)c2)cccc1	PC-id_86188446	164.133	JMKIHSXSMKTQEO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002022
Fc1cc2-c(cc(=O)o2)ccc1	PC-id_86188459	164.133	UWWNJMYJZYPNKT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002023
Fc1cc2-c(oc(=O)c2)ccc1	PC-id_86188450	164.133	IASNZHUVFBXPSV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002024
Fc1ccc2-c(oc(=O)c2)cc1	PC-id_86188453	164.133	ILNSOGLCMBMZJN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002025
c1ccc2-c(c(cc2F)F)cc1	OSADHI_2533,PC-id_11446520	164.151	QRLFAXXSBBEEED-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002026
Fc1cc2-c(c1F)ccccc2	PC-id_139326291,SCHEMBL21173041	164.151	MTYOTOGUIMKZFG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002027
c12C(=O)NCCC(=O)c1cc[nH]2	MCULE-5395684009,CMNPD1937,SCHEMBL7844916,CHEMBL357047,EMOLS-id_44228997,CNP0128300,UNPD134772,BindingDB_PC-id_3085877,ZINC22_13310235,PC-id_3085877,TT-id_D0TF0V	164.161	AAPGLCCSVSGLFH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002028
Cn1cc2C(=O)C=CCOc2n1	PC-id_89819493,SCHEMBL15277579	164.161	VZHYEJQISPNTAU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002029
O=C1CCCC(=O)c2nc1[nH]c2	SCHEMBL11575371,PC-id_54076126	164.161	MJUOIBWIKOJJDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002030
O=C1CCNC(=O)c2c1c[nH]c2	PC-id_10725693,SCHEMBL6773859	164.161	GNKQFFWJIZXFNJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002031
O=C1CCNC(=O)c2c1[nH]cc2	SCHEMBL6891945,PC-id_10797097	164.161	PSFUOKYMPKHBKE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002032
OCC1=CCC=Cc2c1non2	PC-id_143013957	164.161	JHHUPTVFRZCLEM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002033
CC1=Nc2[nH]cnc2C(=O)CN1	PC-id_15216440,SCHEMBL6617230	164.165	QMKDEGULNBHLKD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002034
CC1=Nc2nonc2N=C(C1)C	CoCoCo_6348987,PC-id_17653246	164.165	NPXUPNWJQAJPAX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002035
CC1NC=Nc2c(C1=O)nc[nH]2	PC-id_19688431,SCHEMBL6619634	164.165	PRCUFDKDCFFKGM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002036
CC1=NN=C(c2c(C1)non2)C	PC-id_143987517	164.165	DZNZJMGCJSGANZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002037
Cn1cnc2c1N=CN=CC2O	PC-id_89975957	164.165	DWTVOOXSGNFCRI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002038
N=c1[nH]c2c([nH]1)C=CCNC2=O	PC-id_11593489,SCHEMBL3591503	164.165	LHRYQVBHNWOMOH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002039
O1CCCCn2nc(nc12)C#N	PC-id_82652352	164.165	IQGABYRIEDPINW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002040
OC1=CNC(=C)Nc2c1[nH]cn2	PC-id_57022657	164.165	HFFGOALUCRMWDO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002041
O=C1NCC=Nc2c1[nH]c(n2)C	PC-id_139713994	164.165	VXGXSOYYWQWDMM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002042
O=C1NCC=Nc2n(cnc12)C	PC-id_86153225	164.165	KDQWBHUDSSAWJT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002043
O[C@@H]1C=NC=Nc2c1ncn2C	SCHEMBL15482187	164.165	DWTVOOXSGNFCRI-RXMQYKEDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002044
CC1=Nn2nnnc2N=C(C1)C	PC-id_333966,CoCoCo_5608516,NSC338126	164.168	WCZKZDCMQKWNEO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002045
N/N=C/1NN=CCn2c1ccn2	PC-id_146037674	164.168	RLFSFIKKEZKJNT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002046
FC1C=Cc2c(C=C1)nc([nH]2)C	PC-id_144069593	164.18	ODTVEHUUZIBBBF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002047
O=c1cc2-c(s1)nccnc2	PC-id_140354882	164.184	YXFPIDNOEPUSJN-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-002048
O=c1ccnnc2c1scc2	PC-id_67403490,SCHEMBL2426599	164.184	CAJARUSTDLHZHE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002049
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c1c[nH]c2cc(=S)nnnc12	PC-id_137178319	164.188	GSQNZPGQIVTHRK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002054
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Cc1nn2c(c1)C(=O)CCCC2	PC-id_58563723,SCHEMBL13423900	164.204	OYYUTPZTTYEYGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002068
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o1nc2c(CCC=CCC2)c1N	PC-id_5370190	164.204	VYOVLIPTRLLMFI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002076
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O=C1CCCCc2c1nc([nH]2)C	PC-id_22401429,SCHEMBL9077277	164.204	RAMLXABWXGXRGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002084
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O=C1CCNC(n2c1ccc2)C	PC-id_144490770	164.204	POVNDUYUKHUFPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002086
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O=C1NCCCc2c1c([nH]c2)C	PC-id_82596626	164.204	JCTWKNRDQGJSNM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002091
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O=C1NCCCc2c1[nH]c(c2)C	PC-id_82414910	164.204	IKDOHDGEANTELG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002093
O=C1NCCC(n2c1ccc2)C	EMOLS-id_96521060	164.204	XFLLJGDPGZLPSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002094
O=Cc1cc2c([nH]1)CCCCN2	PC-id_96633627	164.204	JDYIRPVHOSNSFR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002095
O=Cc1cn2CCCCCc2n1	PC-id_21941335,MCULE-4148846887,ZINC22_39081965,SCHEMBL2928791,EMOLS-id_81843618	164.204	OGVQBBOERFBNJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002096
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Cc1nc2n(n1)CCCC(=C)N2	PC-id_135988896,SCHEMBL12796805	164.208	RQFSWDQGBFMTOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002102
CC1=NCc2n(CC1)c(nn2)C	PC-id_144853133	164.208	MMJGIVHFXXUERF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002103
C[C@@H]1CN=CNc2c1ncn2C	PC-id_144592413	164.208	GRXNKFPUJRFPBG-ZCFIWIBFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002104
Cn1ncc2c1NC(=C)CNC2	PC-id_143189027	164.208	SHKFVFBLQYDHMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002105
n12nnnc1C=C(C(CC2)C)C	PC-id_15720282	164.208	CSWOMBUYWBNKNL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002106
n12nnnc1C=CCC(C2)(C)C	PC-id_85846186	164.208	BNFWMUCNDIVFJJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002107
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Cc1nc2c(s1)C=CCN=C2	PC-id_141990192	164.228	PJFHLWAMFDKYFI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002117
Cc1nc2c(s1)C=CN=CC2	PC-id_143946573	164.228	ZJXWPGHBKROWSY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002118
Cc1nc2c(s1)N=CCC=C2	PC-id_143096908	164.228	MXUHFJGYLDIKOG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002119
CN1C=Cc2c(C=C1)ncs2	PC-id_143729077	164.228	XXIOITUCDKNXHB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002120
Nc1nc2c(s1)C=CCC=C2	PC-id_145130219	164.228	JJNTXIJNIBXWIR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002121
NC1=NC=Cc2c(C1)ccs2	PC-id_23355040,SCHEMBL8931630	164.228	RWXASCHMCLVLHC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002122
NC1=NC=Cc2c(C1)scc2	PC-id_19048695,SCHEMBL8931382	164.228	DNRJMZIHSIHRNJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002123
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CC1(C)CCc2c(CC1)coc2	PC-id_142000426	164.244	UHNHXWDOFWIUBC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002125
Cc1oc2c(c1)CCCCCC2	PC-id_121221558	164.244	UECFJBIFAVHGGY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002126
o1c2c(CCCCCC2)c(c1)C	PC-id_13414164	164.244	DUCIBVWGPOJJLO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002127
o1c2CCCCCCCc2cc1	PC-id_13414162	164.244	WATFBVDVNLTZJO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002128
o1cc2CCCCCCCc2c1	PC-id_13660112	164.244	GLKUFZGUKHOOKG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002129
C1CCCc2ncc(CCC1)[nH]2	PC-id_140968879	164.247	SNAWFNZSOKDGDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002130
C1CCCn2c(CCC1)ncc2	PC-id_10103483,SCHEMBL12604725	164.247	TYPJDTYXNVZKMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002131
Cc1c2CCCCCCc2n[nH]1	PC-id_91189309	164.247	CGTZWKYGQABNAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002132
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CC1(CCCc2c(C1)cn[nH]2)C	SCHEMBL19979226,PC-id_134353035	164.247	SMFGIGPFFGLQKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002134
CC1CCCc2c(C1)[nH]c(n2)C	PC-id_91338335	164.247	WJVLCNLSMQJHFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002135
CC1(C)CCCc2n(C1)cnc2	PC-id_141848163	164.247	DSZAAUOCJCELBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002136
CC1CCCn2c(C1)nc(c2)C	PC-id_144045931	164.247	JKAULHIGHDCWNY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002137
Cc1c(C)nc2n1CCCCC2	SCHEMBL10239182,PC-id_68074456	164.247	ARJNLCHQFATACC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002138
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Cc1ncc2n1CCCCCC2	SCHEMBL10281377,PC-id_59299758	164.247	LTBOTXZHUMPSCT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002140
Cc1nn2c(c1C)CCCCC2	SCHEMBL16920699,PC-id_118243968	164.247	QEWURFYVQNSZPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002141
CCc1cn2CCCCCc2n1	SCHEMBL13455878,PC-id_89090372	164.247	PDESRUVBBVLNHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002142
CCc1cnc2n1CCCCC2	PC-id_68072617,SCHEMBL10235437	164.247	ZXHOKJISQHOGFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002143
Cn1cc2c(c1)CCCCC2N	EMOLS-id_96577318,PC-id_83207854	164.247	QWOZAZIOJHLECR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002144
Cn1cnc2CCCCCCc12	MCULE-9069702682,EMOLS-id_49866210,PC-id_99989054	164.247	LRNZPYKREXZZHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002145
Cn1nc2c(c1C)CCCCC2	PC-id_23279523,SCHEMBL16920677	164.247	IDCVXFKSWOOBEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002146
Cn1nc(c2c1CCCCC2)C	PC-id_23279520,SCHEMBL14752431	164.247	FFAQQFPGGSPGSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002147
CNC1CCCCc2c1c[nH]c2	EMOLS-id_96577321,PC-id_83208086	164.247	NZEDZWYMSKBSCT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002148
n12CCCCCc1ccc2CN	PC-id_82596704	164.247	PEZLIRGMTBCJHK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002149
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n1(c2c(CCCNC2)cc1C)C	PC-id_83480493	164.247	IKUWLFNJJLKOPM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002152
n1(c2c(C(CNCC2)C)cc1)C	PC-id_83480498	164.247	PJQKQTWPNZMJBC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002153
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n1(nc2CCCCCCc2c1)C	PC-id_86238306	164.247	FIFQSJCWUJTPMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002156
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[nH]1c2c(CCCCC2)cc1CN	PC-id_84764832	164.247	CIEFTONLQXHMOW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002158
[nH]1c2c(CCNCC2)cc1CC	PC-id_84651984	164.247	UGRIOEOBXKIGAP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002159
[nH]1nc2CCCCCCCc1c2	PC-id_24976519	164.247	KIFREZFNFFCDNY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002160
C1CCC=c2c(=CC1)scc2	PC-id_139564189,SCHEMBL21442294	164.267	ACBDTTSRLGPILA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002161
Cc1cc2c(s1)CCCC=C2	PC-id_143531265	164.267	GOKVTYZVMKDEMD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002162
CC1CCc2c(C=C1)scc2	SCHEMBL18873459	164.267	HBYZYJXRONSMKP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002163
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o1c2c(C(CNCC2)(C)C)cc1	PC-id_82414529	165.232	VAJGSPLAVCNIPD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002280
o1c2c(C(NCCC2)C)cc1C	PC-id_83682409	165.232	HYTJUYKIENLGFZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002281
o1ncc2CCCCCC(c12)C	PC-id_45099275	165.232	UCARUKRTVHVXNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002282
c12CC(CCCc1cn[nH]2)CN	MCULE-1060002637,EMOLS-id_75547552	165.235	XVSWOAWNYXYGCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002283
c12CCCCCc1n[nH]c2NC	MCULE-2548608376,EMOLS-id_39559676,PC-id_63049336	165.235	PZVNFPMURQTHOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002284
C1CCCc2c(CCC1)nn[nH]2	SCHEMBL18761546	165.235	JEADPWMZAPTWOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002285
CC1CCCc2c(CC1)[nH]nn2	SCHEMBL19569841	165.235	FJHSMWXEXDPIOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002286
CC1CCCCCc2c1nn[nH]2	SCHEMBL15850358,PC-id_90261503	165.235	JDBMDHUJGOBHET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002287
CC1CCCn2c(C1)nc(c2)N	PC-id_144045964	165.235	UBIMSRPFRGVIRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002288
CC1CCn2c(C(C1)C)nnc2	PC-id_68199445,SCHEMBL12150501	165.235	QDZHRBTZQFGZCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002289
Cc1c(C)nc2n1CCNCC2	PC-id_58063954,SCHEMBL7887912	165.235	XGXBHPHSJXWSFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002290
CC1(C)NCCc2c(C1)cn[nH]2	PC-id_142576667	165.235	JZJJSQGUSRXECM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002291
CCC1CCCCc2c1n[nH]n2	PC-id_142363853	165.235	UCNZPIOLHZRCSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002292
CC[C@H]1Cc2nc[nH]c2CCN1	SCHEMBL18408017	165.235	NHAOVFKPWAQILY-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002293
CCn1cc2c(n1)CCCNC2	PC-id_135182612,SCHEMBL20333665	165.235	KMIOZLKLZPVBOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002294
CCN1CCc2c(CC1)nc[nH]2	PC-id_143498985	165.235	DLUFYJAZMLGRLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002295
CCN1CCCn2c(C1)cnc2	PC-id_144767487	165.235	CZMYOMHTFIKUBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002296
Cn1c2c(CCCCCC2)nn1	SCHEMBL14963603,PC-id_89578378	165.235	XLJOALNZSSKRJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002297
CN1CCCn2c(C1)cnc2C	SCHEMBL14088681,PC-id_60039208	165.235	UDKKGEZHNHCYIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002298
CN1CCCNc2c1n(C)cc2	PC-id_141782254	165.235	WRYWGDSYOITAEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002299
Cn1nc2c(c1C)CCNCC2	PC-id_59008410,SCHEMBL12749910	165.235	PWXYJWWHWRNFMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002300
Cn1nc2c(n1)CCCCCC2	SCHEMBL19193819	165.235	MVKNSNPOBXOMHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002301
n1(c2CCNCCc2nc1C)C	PC-id_83864771	165.235	KJYOHWYEDFAYJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002302
n1(nc(c2c1CCNCC2)C)C	PC-id_84652260	165.235	KGHOHJITAILNGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002303
NC[C@@H]1CCCc2c[nH]nc2C1	ZINC22_575425838	165.235	XVSWOAWNYXYGCX-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002304
NC[C@H]1CCCc2c[nH]nc2C1	ZINC22_575425839	165.235	XVSWOAWNYXYGCX-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002305
c12CC(CCCc1cnn2C)N	EMOLS-id_75547630,MCULE-2328948380	165.236	RXVKRAJEDYRBHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002306
c12C(CCCCc1n(nc2)C)N	PC-id_84652211,MCULE-4179006282,EMOLS-id_96572934	165.236	GWEFQQCMQCZYDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002307
c12CCCCCc1n(nc2N)C	EMOLS-id_50078439,MCULE-1670416829,PC-id_84220983	165.236	KRTJQRRJYJSQIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002308
c1nnc2n1CCCCCCC2	PC-id_91401093,ZINC22_231266512,MCULE-9900860868	165.236	NLEAPRSFYOMSSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002309
CC1(Cc2c(cn[nH]2)CNC1)C	EMOLS-id_303450515,MCULE-5628883968,ZINC22_536948777	165.236	WTRISRPFOHFYNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002310
CC1CCc2c(CN1)c([nH]n2)C	PC-id_112489741	165.236	XFNNUXYPJKNYRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002311
CC1CCCCc2c1nnn2C	SCHEMBL21336127,PC-id_139470170	165.236	AZCQBFNYNXCXAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002312
CC1CCCCn2c1nnc2C	SCHEMBL8555097,PC-id_67623332	165.236	SQASAGAPUHLFTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002313
CC1CCCCn2c(C1)ncn2	PC-id_144045976	165.236	OBHIBTJCVZCEHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002314
CC1NCCCn2cc(C)nc12	MCULE-4419972387,EMOLS-id_208139427	165.236	FZLABWPKCTVGDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002315
CC1NCCn2c(C1)nc(c2)C	PC-id_144045932	165.236	RISPCEFIAOORGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002316
Cc1[nH]c2c(n1)CCNCCC2	PC-id_142966419	165.236	OENSOWUTNHNYGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002317
Cc1nn2CCCN(Cc2c1)C	PC-id_90267846,SCHEMBL15857860	165.236	SGGCUHREMSOPJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002318
Cc1nn(c2c1CNCCC2)C	PC-id_118491666,SCHEMBL17232683	165.236	KTASZQFHCPLMAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002319
Cc1nnc2n1CCCCCC2	PC-id_68166022,SCHEMBL11918822	165.236	QYLVIRNQPUOORT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002320
CCc1cnc2n1CCCCN2	SCHEMBL10233434,PC-id_136423170	165.236	XITAYHUTEFEXTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002321
CCc1nnc2CCCCCn12	MCULE-1405510734,EMOLS-id_114390851	165.236	SQCPAZNDLPNHFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002322
C[C@@H]1NCCCn2cc(C)nc12	EMOLS-id_208139451,MCULE-5963158144	165.236	FZLABWPKCTVGDD-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002323
C[C@H]1NCCCn2cc(C)nc12	MCULE-4771388225,EMOLS-id_208139484	165.236	FZLABWPKCTVGDD-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002324
CCN1CCc2nccn2CC1	SCHEMBL14879199,PC-id_89514097	165.236	BNBUQDIDQFCRTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002325
CCn1cnc2c1CCNCC2	PC-id_68672725,SCHEMBL3515534	165.236	VLFXOOPAPAFATG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002326
CN1CCc2c(CC1)ncn2C	SCHEMBL12082578,PC-id_57819749	165.236	BVCDGCNSLFYDGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002327
CN1CCc2c(CC1)nc([nH]2)C	SCHEMBL12082584,PC-id_57819780	165.236	KLNDURANTXHYEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002328
CN1CCCc2c(C1)c(C)[nH]n2	PC-id_118491638,SCHEMBL17232654	165.236	XQYRSQIUHWIRMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002329
CN1CCn2c(CC1)nc(c2)C	PC-id_145589068	165.236	WAWVGYBAQONGLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002330
Cn1nc2c(c1N)CCCCC2	PC-id_83815882,EMOLS-id_114390688	165.236	QLUIBBAGUMIYCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002331
Cn1ncc2c1C[C@H](N)CCC2	ZINC22_575425246	165.236	RXVKRAJEDYRBHE-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002332
Cn1ncc2c1C[C@@H](N)CCC2	ZINC22_575425247	165.236	RXVKRAJEDYRBHE-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002333
Cn1ncc2c1[C@H](N)CCCC2	ZINC22_1875331431	165.236	GYSZUOMSEUBXMG-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002334
Cn1ncc2c1[C@@H](N)CCCC2	ZINC22_1875331432	165.236	GYSZUOMSEUBXMG-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002335
Cn1ncc2CCCCC(N)c12	EMOLS-id_330815759	165.236	GYSZUOMSEUBXMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002336
CNC1CCCCc2c1cn[nH]2	EMOLS-id_96572931,PC-id_107384292	165.236	KECUBWSUKVVYHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002337
CNC1CCn2c(CC1)ncc2	PC-id_104970001	165.236	KGHQMHKEPORIGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002338
n12CCCCCc1nc(c2)CN	PC-id_82596992	165.236	DLUKSOSTWMGOBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002339
n12CCCCCc1ncc2CN	PC-id_82597001	165.236	MLGMXGUTFFVVQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002340
n12CC(CNCc1cnc2)(C)C	PC-id_83679109	165.236	MSQWVOLMZBGBLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002341
n12nc(cc1CCCCC2)CN	PC-id_82652457	165.236	RZGGSXRTQLRBER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002342
n12nc(cc1CCNCC2)CC	PC-id_83873407	165.236	KZULHFJJWKWAFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002343
n12nc(cc1CNCCC2)CC	PC-id_83873406	165.236	GXYKUZNTPKMBJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002344
N1c2c([nH]c(c2)CN)CCCC1	PC-id_82596998	165.236	ANNYQKOOAUXTJI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002345
N1c2c([nH]nc2CC)CCCC1	PC-id_83679002	165.236	WVVXCYHRNJJQOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002346
N1c2c(nn(c2C)C)CCCC1	PC-id_83679004	165.236	AHTGQGHFJRQVEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002347
N1C(c2nc[nH]c2CCC1)CC	PC-id_86143694	165.236	JUHPIPCNMMEGER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002348
N1CCc2[nH]c(nc2CC1)CC	PC-id_84652261	165.236	LGGHVIJRBUPGAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002349
N1CCCc2nc([nH]c2C1)CC	PC-id_83670455	165.236	BGZYOAKZTOAZAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002350
n1c(CN)c2c(CCCCC2)[nH]1	CoCoCo_6857441,EMOLS-id_15212001,EMOLS-id_53844307,ZINC22_19088453,PC-id_25220453,CoCoCo_6857442,MCULE-5451000657	165.236	UVLMQESMQZYYNE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002351
Nc1[nH]c2c(n1)CCCCCC2	EMOLS-id_41777879,PC-id_66202492	165.236	BBRHIQMOCIINSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002352
NCc1nc2c([nH]1)CCCCC2	PC-id_63927199,EMOLS-id_40130415	165.236	ZSMSGYHFGYODBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002353
[nH]1c2c(CCNCC2)cc1CN	PC-id_84764962	165.236	BZWOKNVNLPMZNQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002354
[nH]1ncc2c1C(CCCC2)CN	PC-id_82414454	165.236	WEAUIPCROIPEFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002355
Cc1nc2c(s1)CCC=CC2	PC-id_142256770	165.255	ZIURVDXQYQSOGF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002356
Cc1nc2c(s1)C=CCCC2	PC-id_143799204	165.255	DZYQHFIYGGPDQN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002357
[NH+]1(CCCn2c(C1)ccc2)CC	PC-id_40641480	165.255	QJANUJZODNZORR-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-002358
C1=C[Si]=COc2cscc12	PC-id_90809708	165.264	NMNKUKHXPWSUMG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002359
C=C1CCCOC2=CSC=C12	PC-id_165145907	166.045	XGXPJDRNFXNLJG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002360
C1C(NC=CC2=C1SC=C2)N	PC-id_164149473	166.056	ZDJSIPDDJPNNDZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002361
CN1C2=C(C=N1)C(CNN=C2)O	PC-id_152771708	166.085	JZUVFBITRRIAOH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002362
C1CCC2=CC(=NN2CC1)CO	EMOLS-id_324187450,PC-id_155019607	166.111	NKPIRDPNEUQAPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002363
CC1(CC2=C(CCO1)C=NN2)C	PC-id_154021300	166.111	JUVMXDWJWSUNQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002364
CC1=NOC2=C1CCN(CC2)C	PC-id_165089061	166.111	ULHBUKJVZLNIQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002365
CCC1=C2N(CCCCO2)N=C1	PC-id_153588642	166.111	VYDLMEVHZKSXBJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002366
CN1C2=C(C=N1)NCC(CC2)N	PC-id_155145673	166.122	SDJAMWRMNMLGJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002367
CN1C2=C(C=N1)NC[C@H](CC2)N	PC-id_155145670	166.122	SDJAMWRMNMLGJF-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-002368
CN1C=C2C(=N1)CCC(CN2)N	PC-id_155145788	166.122	CSFAPHUQEIEIQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002369
CN1C=C2C(=N1)CC[C@@H](CN2)N	PC-id_155145785	166.122	CSFAPHUQEIEIQI-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-002370
CN1CCC2=CC(=NN2CC1)N	PC-id_165017770	166.122	LRUPOZPKEWOONV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002371
CN1C[C@H](CCN2C1=CC=N2)N	PC-id_154021087	166.122	OIRAGKDUPHGABG-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002372
c12nonc1NC=C(C)C(=O)N2	ZINC22_5730832,PC-id_724828,MCULE-8668892689	166.137	XVIDEBAPXBKWSM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002373
c12nonc1NC(=CC(=O)N2)C	EMOLS-id_31796207,PC-id_947388,CoCoCo_5951261,ZINC22_100020409,CoCoCo_1654015,EMOLS-id_2723025,STOCK3S-00083,MCULE-2995691906	166.137	QBABPLHQURZLIX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002374
c12nonc1N=C(C=C(O)N2)C	ZINC22_5956989,EMOLS-id_48650805,MCULE-9880095580	166.137	GSNOOOLELCUXTQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002375
C1C(=O)Nc2c(cn[nH]2)C(=O)N1	PC-id_136965966	166.137	NARTVNPCDQRYOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002376
o1nc(c2c1CCCNC2)CC	PC-id_83679466	166.22	LYPJXBJTEAPGAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002479
C1(=O)Nc2nc[nH]c2C(=O)NC1	PC-id_362126,CoCoCo_5683415,SCHEMBL5746031,CB5633150,CoCoCo_5683416,NSC625659,MCULE-2854765468,EMOLS-id_933957,ZINC22_8652863	166.137	FXQGXBGGCANVFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002377
O=C1c2[nH]cnc2NC(=O)NC1	SCHEMBL5745555,PC-id_15121438	166.137	OSHGFPDIPWJEEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002378
OC1=CNC(=O)c2c(N1)nc[nH]2	PC-id_53868110	166.137	IOUMPEMOPUENJB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002379
O=C1NCc2c(C(=O)N1)[nH]cn2	SCHEMBL8310124,PC-id_70342938	166.137	WRUPDJSTXAIVHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002380
O=C1NCC(=O)c2n(C1)nnc2	PC-id_96633179	166.137	SDDRJYRJWAXNAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002381
CC1=Nn2c(nnn2)NC(=O)C1	PC-id_135409917	166.141	YPQPPKRPISQBGL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002382
PN1Cc2n(CC=C1)ccc2	PC-id_21054575	166.16	VPGYRJQGGQJMTP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002383
Cc1noc2c1CCCC(=O)N2	PC-id_135453811	166.177	KDWDDSZYSFYQHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002384
Cn1cc2C(=O)CCCOc2n1	SCHEMBL15277578,PC-id_89819492	166.177	KBZVKDDRBBZNEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002385
Nc1cc2c(o1)C(=O)NCCC2	PC-id_98774375	166.177	DMKMZUDWABYZCX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002386
Nc1nc2c(CCCCC2=O)o1	EMOLS-id_317676950,MCULE-7197484873,PC-id_138991052,ZINC22_1772799841	166.177	SDKKUZGIDJPYIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002387
o1c2CCCNC(=O)c2nc1C	PC-id_10725722	166.177	YZNPMJDXMDTHDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002388
o1c2C(N)CCC(=O)Nc2cc1	PC-id_82414325	166.177	QZMXCVXNAWGKDU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002389
O1CCCCn2c1nc(c2)C=O	PC-id_83480628	166.177	ODJKZVWVDZETAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002390
O1CCCCn2nc(cc12)C=O	PC-id_83480629	166.177	XJQZZHYLIBSHNH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002391
o1nc2n(C(=C)CCCC2)c1=O	PC-id_22901408	166.177	MOQSGXFCOCXMTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002392
o1nc(c2c1CCCNC2=O)C	PC-id_83679462	166.177	PRKCIHCPKUSRMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002393
o1nc(c2NC(=O)CCCc12)C	PC-id_83678990	166.177	LFPKLOADNFUCDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002394
O=C1CCC(c2c(N1)occ2)N	PC-id_112489735	166.177	IIQDGBLEDGRMKR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002395
O=C1Nc2ocnc2CCC1C	PC-id_142177611	166.177	JAUPSYZLYKMLJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002396
O=C1NCCc2c(C1C)ocn2	PC-id_142177653	166.177	YCWAREOFVWNKJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002397
O=C1NCCc2c(C1)oc(c2)N	PC-id_98760321	166.177	DZYDYSAUFFSOMF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002398
O=Cc1c2n(CCCCO2)nc1	EMOLS-id_337175000,MCULE-9137255408	166.177	HOAIABLVZREIJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002399
O=Cc1n[nH]c2c1CCOCC2	PC-id_112711165	166.177	VFLFUXWIBOSKQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002400
c12C(=NO)CCCCn1cnn2	PC-id_137176332,MCULE-9037617000	166.18	VTAUBIZCHCGWJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002401
c12[nH]ncc1CCC(N)C(=O)N2	MCULE-5636745017,SCHEMBL18365800,EMOLS-id_320449309,PC-id_137052800	166.18	QSVVAPWHWQZYEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002402
C1CCn2cnnc2/C(=NO)/C1	PC-id_136875025	166.18	VTAUBIZCHCGWJP-POHAHGRESA-N	00000000100000000101000000000010000000000000000000000000	31-01-002403
Cc1c2c(n[nH]1)NCCC(=O)N2	PC-id_136300237	166.18	VBTSTKDWFWHIOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002404
CC1CC(=O)Nc2cn[nH]c2N1	EMOLS-id_324009382,PC-id_136922334	166.18	RYSKCAOOIHZHGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002405
Cc1nnc2n1CCC(=O)NC2	PC-id_88991592,SCHEMBL12967143	166.18	LMLJCNKTNALKSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002406
Cn1c2c(cn1)C(CN=CN2)O	PC-id_135747197	166.18	AHAQTMORPIXIHY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002407
Cn1c2c(cn1)[C@H](CN=CN2)O	PC-id_136144647	166.18	AHAQTMORPIXIHY-LURJTMIESA-N	00000000100000000111000000000010000000000000000000000000	31-01-002408
Cn1c2c(cn1)C(=O)NCCN2	PC-id_137211297	166.18	LEOADTIKXKZZSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002409
Cn1c2c(cn1)NC(=O)CCN2	PC-id_136300238	166.18	MLIAQXJTPNKMQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002410
CN1CCNC(=O)c2c1nc[nH]2	PC-id_20872210,SCHEMBL9881684	166.18	OEXJYSVHISHLAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002411
Cn1cnc2c1NC=NCC2O	PC-id_90087839	166.18	JNNSCOWHGUCTKG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002412
Cn1cnc2[C@@H](O)CN=CNc12	NSC300893,CoCoCo_5586579,LI_66878	166.18	JNNSCOWHGUCTKG-YFKPBYRVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002413
O=C1c2c(n(nc2)C)CNNC1	PC-id_57268844	166.18	BHZACANWHBQFPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002414
O=C1CCCCCn2c1nnn2	SCHEMBL13482142,PC-id_58992821	166.18	MPZPSANFCRMHIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002415
O=C1CCNc2c(N1)n(C)cn2	PC-id_145339589	166.18	HWKQLZPWCFRAIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002416
O=C1Nc2cn[nH]c2CCC1N	SCHEMBL18365760	166.18	FTOOEHZRRDQNOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002417
O=C1NCCc2n(C1)nc(c2)N	PC-id_142447862	166.18	SEYRSXRHWTXMLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002418
O=C1NCCCc2c1[nH]nc2N	PC-id_12437808	166.18	YHZPACQZBLMSGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002419
O=C1NCCCc2c1nnn2C	PC-id_143308226	166.18	RYGRPQQCARKZEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002420
O=C1NCN(Cc2[nH]cnc12)C	PC-id_60012774	166.18	RAJXVLSBNLXANO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002421
O[C@@H]1CNC=Nc2c1ncn2C	SCHEMBL15628193,CoCoCo_5586580	166.18	JNNSCOWHGUCTKG-RXMQYKEDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002422
O/N=C/1CCCCn2cnnc12	PC-id_136920503,ZINC22_96509918,EMOLS-id_49181740	166.18	VTAUBIZCHCGWJP-UXBLZVDNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002423
O=C1Nc2cncn2CCC1N	PC-id_145225738	166.181	KATFOUKVSUTPFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002424
C1C=Nc2c(NC1=O)csc2	PC-id_122508765,SCHEMBL18039673	166.2	PSXRPRFOFNCLGH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002425
Nc1nc2=CC=COC=c2s1	PC-id_144313235	166.2	NOUNEOCCBHWWNR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002426
O=C1CC=CSc2c1[nH]nc2	SCHEMBL10971365,PC-id_70483996	166.2	JSPVMVJJYDKSHA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002427
O=C1CC=NSc2c1c[nH]c2	PC-id_141956877	166.2	YINODVLAFYZPIY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002428
O=C1CN=Cc2c(N1)scc2	PC-id_21693045,SCHEMBL4435837	166.2	MVTJEEZBMQUWRA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002429
O=C1NCC=Nc2c1ccs2	SCHEMBL2423612,PC-id_58446012	166.2	UJKCRFMWTGYWEV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002430
O=s1cc2c(n1)C=CC=CN2	PC-id_138676996	166.2	MHXCBAWBTHULKZ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-002431
O=S1C=CC=Cc2c1c[nH]n2	SCHEMBL10971366,PC-id_70483997	166.2	JPILTRLYKRWGGE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002432
S1NC=CC(=O)c2c1c[nH]c2	PC-id_57278171	166.2	VAPBISDZJWXUQF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002433
S1NC=CC(=O)c2[nH]ccc12	PC-id_57039356	166.2	XGIZUTSNLLBHTF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002434
C1C=NNC(=S)c2n1ncc2	PC-id_146037671	166.204	DFLKMFOXDDNPKJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002435
Cc1oc(c2c1OCCCC2)C	PC-id_117948307,SCHEMBL16562349	166.217	ZACOQTUMKQIMGL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002436
o1c2CCCCCC(O)c2cc1	PC-id_13414166	166.217	RMKGPPKICPQPFS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002437
o1c2CCCCC(O)c2cc1C	PC-id_13976164	166.217	DTYODGOHMOLYRP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002438
o1c2c(C(O)CCCC2)c(c1)C	PC-id_13414171	166.217	NKMPDUPSHIPDCM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002439
c12CC(CCCc1cn[nH]2)CO	EMOLS-id_75547556,MCULE-9303710897	166.22	WYUKYHVOGKIUBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002440
c12CC(CCCc1cno2)CN	EMOLS-id_75547968,MCULE-9042032146	166.22	GGUHEAXNNJANLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002441
C1Cc2ncc(CO)n2CCC1	MCULE-4530064935,ZINC22_20358130,PC-id_51063952,EMOLS-id_25040527	166.22	JOELJKIHLYITCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002442
CC1(C)CCOc2n(C1)ccn2	PC-id_145086200	166.22	AMIGJLFFYTWHAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002443
CC1(C)CNCCc2c1con2	PC-id_144812784	166.22	NKPVSOBIBXBNKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002444
CC1(C)COCc2n(C1)ncc2	PC-id_138510203,SCHEMBL20861371	166.22	MTDKJTKGTSOSSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002445
CC1(C)OCCc2c(C1)cn[nH]2	SCHEMBL18366151	166.22	NOWGIRYVJUTVBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002446
Cc1nn2c(c1C)OCCCC2	PC-id_118243957,SCHEMBL16920688	166.22	GWLZLDUMPFNICQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002447
Cc1nn(c2c1CCCCO2)C	SCHEMBL16920680,PC-id_118243950	166.22	MLSOGJVFBLHYRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002448
CCC1Cn2cncc2CCO1	PC-id_118619678,SCHEMBL17387079	166.22	YNRMDWLCUWPHEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002449
CCc1ncn2c1CCOCC2	SCHEMBL17387076,PC-id_118619677	166.22	GKBCZYWYDYPKMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002450
C[C@@H]1CCCn2c(cc(n2)C)O1	PC-id_135246359,SCHEMBL20406090	166.22	DYUMHQXCJNBPEY-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002451
CN1CCc2c(CC1)nc(o2)C	PC-id_145589027	166.22	GIYOQPAYIQHVMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002452
Cn1c(=O)[nH]c2c1CCCCC2	SCHEMBL21414634	166.22	WYZPAFNHGWYJMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002453
Cn1nc2c(c1C)CCCCO2	PC-id_118243946,SCHEMBL16920675	166.22	CQFPSPLHVBZCPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002454
Cn1nc2c(c1O)CCCCC2	EMOLS-id_41628986	166.22	GMUONJJZTFTIMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002455
Cn1nc(c2c1CCOCC2)C	PC-id_145770035	166.22	UIOWILBDZUPJGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002456
Cn1ncc2c1[C@H](O)CCCC2	ZINC22_1875354309	166.22	UWLYUHRGRIACHI-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002457
Cn1ncc2c1[C@@H](O)CCCC2	ZINC22_1875354310	166.22	UWLYUHRGRIACHI-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002458
Cn1ncc2CCCCC(O)c12	EMOLS-id_330816271	166.22	UWLYUHRGRIACHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002459
Cn1[nH]c2c(c1=O)CCCCC2	SCHEMBL15867515,PC-id_66020642	166.22	YCZJNVBDSPWJCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002460
CNC1CCCCc2c1cno2	EMOLS-id_96572946,PC-id_107384342	166.22	AEHNNKNYNSAGQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002461
n1c2CCCCCc2c(CO)[nH]1	ZINC22_230982262,EMOLS-id_53844272,PC-id_91811739,MCULE-1542309401	166.22	LXGOMNGSBWXZRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002462
n1oc2c(CCCCC2)c1CN	PC-id_80461712,EMOLS-id_96533210,MCULE-7505197648	166.22	XGHSOUVFYMJHIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002463
NCc1cn2c(c1)OCCCC2	PC-id_96849776	166.22	AXLKNKGXQUFFPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002464
NC[C@@H]1CCCc2cnoc2C1	ZINC22_575423543	166.22	GGUHEAXNNJANLH-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002465
NC[C@H]1CCCc2cnoc2C1	ZINC22_575423544	166.22	GGUHEAXNNJANLH-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002466
o1c2CCCCCc2nc1CN	PC-id_82414169	166.22	YULPWTKOOUHTOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002467
o1c2C(CCCNc2cc1)CN	PC-id_83672636	166.22	ZNNPCNNTDNJBFS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002468
o1c2CC(CCNc2cc1)CN	PC-id_83672638	166.22	SPHDAUDIBNAXDC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002469
o1c2c(CCNCC2)cc1CN	PC-id_84765100	166.22	FLYNFRRSJLVHEM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002470
o1c2CCCNCc2nc1CC	PC-id_83670439	166.22	JYWXBFOGSIBBFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002471
o1c2CCNCCc2nc1CC	PC-id_84652465	166.22	BBVWSQONKRHPLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002472
O1CCc2[nH]c(cc2CC1)CN	PC-id_84765088	166.22	SBQBAMJCMTWHEW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002473
o1nc2c(CCCCC2)c1CN	PC-id_83845886	166.22	ZZLRHTCEWCMWAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002474
o1nc2CCCCCc2c1NC	PC-id_83862801	166.22	KRWWJQGWADJILD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002475
o1nc2CCCCCCc2c1N	PC-id_578878	166.22	RGDCUMCBNAUEOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002476
o1nc2CCC(NCc2c1C)C	PC-id_82414122	166.22	GIHBAGNXWOMUQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002477
o1ncc2c1C(CCCC2)CN	PC-id_82414145	166.22	NYTGERKRQVVYDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002478
o1nc(c2NCCCCc12)CC	PC-id_83678995	166.22	VTZPXTIROXLDNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002480
Oc1c(C)nc2n1CCCCC2	PC-id_713758,CoCoCo_1974769	166.22	ONLCGBIHXIHJOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002481
O=c1[nH]c2CCCCCCc2[nH]1	PC-id_45158658	166.22	AFIVNQSXCWSYSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002482
O=c1[nH]n(c2CCCCCc12)C	PC-id_83845874	166.22	ZZMDALXAWXRLBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002483
Oc1[nH]nc2CCCCCCc12	CoCoCo_5460739,PC-id_12034716,EMOLS-id_337928911,CoCoCo_5460738,CT-id_2227434,2227434_OpenMolecule	166.22	WFCPAAMZZQCTAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002484
OCc1nc2c([nH]1)CCCCC2	EMOLS-id_40130189,PC-id_63926786	166.22	IDBWAINTOXBJKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002485
OC[C@@H]1CCCc2c[nH]nc2C1	ZINC22_575425801	166.22	WYUKYHVOGKIUBI-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002486
OC[C@H]1CCCc2c[nH]nc2C1	ZINC22_575425802	166.22	WYUKYHVOGKIUBI-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002487
c12C(CCCCn1cnn2)CN	MCULE-6239632528,PC-id_102548710,EMOLS-id_49181748	166.224	AQMKHHMBFZETQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002488
c12NC(C)CCNc1c(n[nH]2)C	PC-id_136922337,MCULE-9632848522	166.224	JZCGJTXBJCTUKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002489
C1CCCc2c(CC1)nnn2N	PC-id_134884696	166.224	PBNZYTFGYMIEHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002490
CC1(C)CCCCc2n1nnn2	SCHEMBL13482147,PC-id_58992712	166.224	IEGGKDYKZINTDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002491
CC1CCCn2c(C1)nc(n2)N	PC-id_144511397	166.224	MGRNBUDBALANSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002492
CC1C(CCn2c(ccn2)N1)N	PC-id_137052802,SCHEMBL18365817	166.224	FUNVCUZGYKABOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002493
CC1CCCn2c(N1)nc(n2)C	PC-id_144045909	166.224	IPBYBXHEXAHFOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002494
CC1CCNc2c(N1)n(nc2)C	PC-id_136922338	166.224	LHQDQQDOFDBTPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002495
CC1CN(C)Cc2n(C1)cnn2	PC-id_142450037	166.224	OAMUEPQWOSFGHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002496
Cc1nc2n(n1)CCCCCN2	SCHEMBL12668359,PC-id_135988899	166.224	BILALLRMHVJXNL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002497
CC1NCCn2c(C1)nc(n2)C	PC-id_144045940	166.224	MINMWLYMEOURCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002498
Cc1nn(c2c1NCCCN2)C	PC-id_136278885,EMOLS-id_96447321	166.224	SOKWRUZDUIWXIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002499
Cc1nnc2CCC(N)CCn12	PC-id_91910726,EMOLS-id_50590193,MCULE-8087833133	166.224	AJWJCJMBNOJLBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002500
CCc1nnc2n1CCCCN2	PC-id_137176334	166.224	QLOQPIUMNPXJGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002501
CCN1CCCn2c(C1)nnc2	EMOLS-id_114394338	166.224	ROCGPLJKKHCYTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002502
CCN1CCCn2c(cnn2)C1	PC-id_91293140	166.224	ILUFVPNZXKYCMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002503
CN1CCc2n(CC1)c(nn2)C	SCHEMBL13209049,PC-id_59006437	166.224	ODUBTNJZCBKTLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002504
CN1CCCCc2c(C1)nn[nH]2	SCHEMBL19049771	166.224	MDWVEKJGFFGGDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002505
CN1C(C)CCNc2c1[nH]nc2	PC-id_112708660	166.224	VURHTHKMUNVJDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002506
CN1CCCn2c(C1C)nnc2	EMOLS-id_114394435	166.224	JWOJAHQNRHIMQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002507
CN1CCCn2c(C1)nnc2C	EMOLS-id_114394371	166.224	DGYQYQCIXBRHRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002508
CN1CCCn2nc(N)cc2C1	EMOLS-id_337707316	166.224	HHLKMBZVDNMBDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002509
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NC1CCn2c(N(C1)C)cnc2	SCHEMBL18365858	166.224	WAGIHROZGRROLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002523
NC1CCn2c(N(C1)C)ncc2	PC-id_145225437	166.224	SAVXPPUHXQMVIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002524
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NCc1n[nH]c2c1CCNCC2	PC-id_112711148	166.224	QLRPRRLMZIMUMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002526
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NC[C@@H]1CCCCn2cnnc12	ZINC22_96509925,PC-id_97617287	166.224	AQMKHHMBFZETQI-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002528
c12CC(=O)CCCc1ccs2	EMOLS-id_317743223,MCULE-2990186939	166.24	XAMXLRXCOCIBPP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002529
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C1Cn2cccc2SC=CN1	PC-id_90309902,SCHEMBL15911901	166.243	VQCYSIWXTUDPLM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002533
C1Cn2cccc2SCC=N1	PC-id_90309903,SCHEMBL15911902	166.243	WSWXMLDJGCMTQN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002534
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CN1CCN=c2c(=C1)ccs2	PC-id_141549455	166.243	XSWWPAMGMPVRFL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002536
NC1=NCCCc2c1ccs2	PC-id_53823193,SCHEMBL8195065	166.243	FXFFEWBXUKSYGS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002537
[nH]1nc(c2CCCCCc12)C[NH3+]	PC-id_28063322	166.243	UVLMQESMQZYYNE-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-002538
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C1=CSc2c(C=C1)ccs2	PC-id_54554744	166.263	ZMJRBJBSRQDQCR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002540
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C1CCCc2c(CC1)scc2	PC-id_71670763,SCHEMBL15281530	166.283	YOOWXIKXDPHYOH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002543
Cc1cc2c(s1)CCCCC2	SCHEMBL17970195,PC-id_12717962	166.283	IKYNPEPRLBCWKV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002544
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C1=CSC=CC2=C1N=CS2	PC-id_154451643	166.986	VUUGDSDYPXEYRB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002549
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C1C2=C(C(=O)NC(=O)[NH2+]1)N=CN2	PC-id_153242955	167.056	WRUPDJSTXAIVHY-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-002551
CC1=CC2=C(S1)CCCCN2	EMOLS-id_324123857,PC-id_149095990	167.077	QTPMTZWVYYXEFH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002552
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o1[nH]nc2-c(nnn2)c(=O)c1=O	SCHEMBL7531325,PC-id_70120006	167.082	IADXAOMPXQLPEE-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-002555
CC1=NOC2=C1CC(CNC2)N	PC-id_155145983	167.106	RIQGCGOPJJBQIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002556
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CC1=NOC2=C1CNCC(C2)N	PC-id_155145904	167.106	YLBMBTUVUQXGQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002558
CC1=NOC2=C1CNC[C@H](C2)N	PC-id_155145901	167.106	YLBMBTUVUQXGQE-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-002559
CN1C2=C(CCNCC2O)C=N1	PC-id_165098587	167.106	ISRSHKILJWGYSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002560
CN1C=C2CCNCC(C2=N1)O	PC-id_165028404	167.106	SNCOQDDQAOZRIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002561
CNc1c2COCCCn2nc1	PC-id_163913920	167.106	QUOVEUMTFIHLTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002562
CC1(CNCCN2C1=NN=C2)N	PC-id_164876278	167.117	QHGOSQQCYUOCKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002563
C1C(=O)Nc2c(cno2)C(=O)N1	PC-id_136965968	167.122	GZMUXDDUFFJMPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002564
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O=C1NNC(=O)Nc2nc[nH]c12	PC-id_503443	167.125	CFDSAXCIZZLOQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002567
C1c2c(NC(=O)CN1[O-])[nH]nc2	PC-id_136446709	167.145	FRESTEJTHFIBOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002568
O1CCc2c(noc2C=O)CC1	PC-id_83862985	167.162	YEBSDUOBVKIYHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002569
O1CCc2c(onc2C=O)CC1	PC-id_83863034	167.162	PNTCWPXQVMUYRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002570
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CC1CC(=O)Nc2c[nH]nc2O1	EMOLS-id_324009894	167.165	UMNQKNKIGWYHSK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002572
Cc1n[nH]c2c1NC(=O)OCC2	ZINC22_5462682,NSC345652,CoCoCo_5613109,CoCoCo_5613108,PC-id_335530	167.165	KMBUBFZYSQSCDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002573
Cc1noc2c1C(=O)NCCN2	PC-id_136274620	167.165	IYEDNQYXBIGKQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002574
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o1nc2c(NCC(=O)NC2)c1C	PC-id_82373309	167.165	MBXRRXLYBDPSSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002576
o1nc2c(NC(C(=O)NC2)C)c1	PC-id_82373303	167.165	JZZGRJXBMIGYBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002577
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C1C(N=C(c2c(N1)nc[nH]2)N)O	PC-id_135535877	167.169	YVPJZXRSECSHRW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002581
Cn1c2c([C@@H](CN=CN2)O)nn1	PC-id_136417521,SCHEMBL13415334	167.169	JOXJYCWDCNLONB-SCSAIBSYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002582
COC1Cn2c(nnn2)C=CN1	PC-id_137197599	167.169	KUPJLXOLFXRTJG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002583
OC1NC(=c2[nH]cnc2=NC1)N	PC-id_10080751	167.169	HBXPJWBSHJWCNN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002584
O=C1NNCc2c(N1)ncn2C	PC-id_117617936,SCHEMBL16131587	167.169	BRYXGDHFDIYWPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002585
Fn1nc2c(c1)C(=C)CCCN2	PC-id_144315327	167.184	ABQVTOCKWWRFLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002586
C1=Cc2c(cnn2O)SN=C1	PC-id_90242455	167.188	CCTJSARTMPCZJA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002587
C1=Cc2c(cn[nH]2)S(=O)N=C1	PC-id_90241611	167.188	IEZHGACITIZAAC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002588
C1C(=O)NC=Nc2c1scn2	PC-id_143561806	167.188	GNSFOQJOIOMPON-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002589
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c12CC(CCCc1cno2)CO	EMOLS-id_75547972,MCULE-8360903148	167.205	GDJJEIVPBRZRKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002593
Cc1cc2c(o1)CNCCC2O	SCHEMBL2836961,PC-id_68410069	167.205	PCUDGGSMZYNYBK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002594
CC1(C)COc2c(OC1)c[nH]c2	SCHEMBL182692,PC-id_66616229	167.205	QGZDBCZIEBZVGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002595
CC1(C)COOc2c(C1)c[nH]c2	PC-id_22672961,SCHEMBL182691	167.205	BEJAKEGLGWEBOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002596
Cc1[nH]c(c2c1OCCCO2)C	PC-id_59538675,SCHEMBL9971683	167.205	ABOPLJRCCMYTCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002597
CN1CCc2c(C(C1)O)cco2	PC-id_68410519,SCHEMBL2837984	167.205	MZBVLGQQYHHRPJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002598
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CN1CCC(c2c(C1)occ2)O	SCHEMBL2836018,PC-id_68409696	167.205	QDGRBYYKNNEQBQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002600
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o1n(c(=O)c2CCCCCc12)C	PC-id_12387425	167.205	TUDMZOWTSRLCPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002603
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c12CNCCCn1cnc2CO	MCULE-7454772174,ZINC22_20445361	167.208	GMXXYZDQIVKNDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002614
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CC1OCCCn2c1nnc2C	PC-id_67623369,SCHEMBL8555190	167.208	HFXHHSIKQWSODB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002618
CCc1nnc2n1CCCOC2	PC-id_89233345,SCHEMBL14048203	167.208	WSUBFBDFJFTOFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002619
CCc1nnc2n1CCOCC2	SCHEMBL14048188,PC-id_89233336	167.208	BTTSUCDSHDSFIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002620
CCc1nnc2n1COCCC2	SCHEMBL14048196,PC-id_89233341	167.208	GOWPZDIVMDIWSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002621
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OCc1c[nH+]c2n1CCCCC2	PC-id_28875905,GD-id_ZINC20358130	167.228	JOELJKIHLYITCO-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-002674
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Cc1nn(c2c1CCCCC2)C([2H])([2H])[2H]	PC-id_145769710	167.266	FFAQQFPGGSPGSL-BMSJAHLVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002685
C1CCCc2scnc2CC1	ZINC22_32206873,MCULE-1120391403,PC-id_597461,EMOLS-id_49866202	167.271	CWLNBODXGYKWKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002686
Cc1cc2c(s1)CCCNC2	PC-id_68317851,SCHEMBL12563256	167.271	IDTYPNMAHQCMLM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002687
Cc1cc2c(s1)CCNCC2	PC-id_82413533,SCHEMBL13560077	167.271	KRXLMXRCZHXXAQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002688
Cc1cc2c(s1)CNCCC2	SCHEMBL12563262,PC-id_68317853	167.271	KQBLMCRJSWFHKG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002689
CC1CCc2c(NC1)ccs2	SCHEMBL20852901,PC-id_138502876	167.271	VFVNXGZBJDRLBW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002690
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CC1CNCCc2c1ccs2	SCHEMBL5086491,PC-id_69305891	167.271	IXPIVMJIOYFAII-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002692
Cc1csc2c1CCNCC2	SCHEMBL2996134,PC-id_55264873	167.271	CJPHGEUQJLYFHT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002693
Cc1nc2CCCCCc2s1	PC-id_21529491,ZINC22_146931174,SCHEMBL11772242,EMOLS-id_49866188,MCULE-1974564475	167.271	JHATYWPKPMGKAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002694
CN1CCc2c(CC1)ccs2	SCHEMBL10193190,PC-id_54337558	167.271	TWOSMDPEAFHBJM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002695
CN1CCCc2c(C1)scc2	PC-id_141953485	167.271	KGMHBKPDRWWXLU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002696
CN1CCCCc2c1ccs2	EMOLS-id_114399929	167.271	NKNLSOOMDWPFOK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002697
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NC1CCCc2sccc2C1	MCULE-7101581325,EMOLS-id_277413646	167.271	OFNYILHJIKYHNN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002700
NC1CCCCc2c1ccs2	PC-id_21319846,SCHEMBL11535250	167.271	YDLQZCYIDSIOFN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002701
Nc1csc2c1CCCCC2	EMOLS-id_96203231,PC-id_53862322	167.271	GXIGZEYYZFPFML-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002702
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Clc1nc2c(o1)C=CC=CC2	PC-id_142275710	167.592	VGAPLTCXBDKEQV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002710
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CC1(CCOC2=CNC=C2O1)N	PC-id_163994727	168.09	UDRMNRADJUGROH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002714
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c12n[nH]cc1OCC(N)C(=O)N2	PC-id_137052798,MCULE-9302530323,SCHEMBL18365746,EMOLS-id_320449053	168.153	YNIPUNFBUIRRBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002724
C1c2c(NC(=O)C[NH+]1[O-])[nH]nc2	SCHEMBL11161092,PC-id_136446708	168.153	FXSVBUNXJZXVKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002725
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OC1c2[nH]cnc2NC(=O)NC1	PC-id_85741327	168.153	FAYDIVOFOOYLHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002727
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PN1CCCn2c(C1)ccc2	PC-id_20790287,SCHEMBL14525199	168.176	MVWHDPSDFVNHSX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002731
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Oc1cc2-c(c1)ccc(cc2)C#C	PC-id_21063110	168.191	QUNQYZOGKGMYOY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002735
C[C@H]1CCCCc2n1c(=O)on2	PC-id_142113431	168.193	YMEYTQGDEZOQID-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-002736
Cn1[nH]c(=O)c2c1CCOCC2	PC-id_142458377	168.193	VQVKKSDORBJQKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002737
Cn1oc2c(c1=O)CCNCC2	BindingDB_PC-id_14515722,PC-id_14515722	168.193	IQPWSMRSMWNRRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002738
COc1noc2c1CCNCC2	BindingDB_PC-id_14515726,PC-id_14515726	168.193	XOQMGSWBFVDATG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002739
COc1noc2c1CNCCC2	PC-id_10442081,CHEMBL304142,SCHEMBL10460428,BindingDB_PC-id_10442081	168.193	MMAAVQKZYQKTJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002740
NC1CCCCc2c1c(O)no2	PC-id_12387434,MCULE-9649595451	168.193	SMFAFWLXWPBZCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002741
O1Cc2[nH]c(cc2NCC1)CO	PC-id_55279897	168.193	YKFQLCQDGJWNQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002742
O1CCc2c(noc2CN)CC1	PC-id_83862817	168.193	GTXQUYPFCMVXBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002743
O1CCc2c(noc2NC)CC1	PC-id_83862800	168.193	DNRYAZHUDFFXBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002744
O1CCc2c(onc2CN)CC1	PC-id_82413331	168.193	GLMWRBPZBPQZTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002745
o1nc(OC)c2CCCNCc12	PC-id_10012294	168.193	MOJTYBHOMNMHRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002746
o1[nH]c(=O)c2c1C(CCNC2)C	PC-id_10080765	168.193	OKDCALFAUOOLAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002747
o1[nH]c(=O)c2CCCCC(N)c12	PC-id_12387431	168.193	FEPHMEAZZUGDKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002748
OC1NCCC(O)c2cc[nH]c12	CNP0199184	168.193	YHCFUCOJODCSDB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002749
O[C@H]1CCN[C@@H](c2c1cc[nH]2)O	UNPD141704	168.193	YHCFUCOJODCSDB-POYBYMJQSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002750
[O-][n+]1onc2c1CCCCCC2	PC-id_101002550	168.193	QJZCJQNAFYKVDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002751
n12c(ccc1)C=CC=CC2=CC#N	PC-id_71361813	168.195	IJJCGVCVLWVCBF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002752
Nc1c(c2-c(c1)ccccc2)C#N	PC-id_13409899	168.195	JEQMJFWXUNJASD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002753
N#Cc1ccc2-c1cccc(c2)N	PC-id_100950029	168.195	SZLIDZZOGORNBU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002754
N#Cc1cccc2-c(c1)ccc2N	PC-id_100950030	168.195	HROSJMPDARIQOE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002755
[N-]=[N+]=Cc1ccc2-c1ccccc2	PC-id_102580242	168.195	ARHJDTKDAJSYFJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002756
c12NCC(NCc1non2)CC	MCULE-4212996606,PC-id_136922870	168.196	SIWCIZHGYQFPMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002757
CC1(CNc2nonc2CN1)C	PC-id_136305461	168.196	PETRPBAXLCZWMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002758
Cn1nc2CCNCCn2c1=O	MCULE-6009709594,PC-id_86820548,EMOLS-id_49750257	168.196	DLPULPXLALGJHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002759
Cn1nc2n(c1=O)CCCNC2	PC-id_117274017	168.196	NFMAPEADKQLODU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002760
n12CCC(CCc1n[nH]c2=O)N	MCULE-5460702847,EMOLS-id_50590486,PC-id_91910804	168.196	CZLDWNKBFHYKJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002761
CN1CCCc2c(S1)cc[nH]2	PC-id_141005192	168.259	QAWJVIUJZMJXAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002814
n12CCNCCc1nnc2CO	MCULE-6269255085,EMOLS-id_337671124,ZINC22_2100542643	168.196	CAJVEBJXHQAZFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002762
NC1c2n[nH]c(=O)n2CCCC1	EMOLS-id_96363337,MCULE-3377827897	168.196	LPBAXEROBBEYHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002763
NCc1nnc2CCOCCn12	ZINC22_253185987,MCULE-4734536854,EMOLS-id_313099209,PC-id_121597575	168.196	QTGVOUYXCJAQDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002764
NCc1nnc2n1CCCOC2	PC-id_121597495	168.196	VJCQZTVQPKOLBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002765
N[C@@H]1CCCCn2c1n[nH]c2=O	ZINC22_238581558	168.196	LPBAXEROBBEYHX-RXMQYKEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002766
N[C@H]1CCCCn2c1n[nH]c2=O	ZINC22_39082624	168.196	LPBAXEROBBEYHX-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002767
O1CCCCn2nc(nc12)CN	PC-id_82652901	168.196	QCBOPEDHEHSJBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002768
OC1c2ncn(c2NCNC1)C	PC-id_54065877	168.196	MCXYENAWOLXRHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002769
OCC1CCc2nnnn2CC1	EMOLS-id_84833699,PC-id_122151360,MCULE-8924307102	168.196	CYLRMVXIQZFBIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002770
OC[C@H]1CCc2nnnn2CC1	ZINC22_307359277	168.196	CYLRMVXIQZFBIV-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-002771
OC[C@@H]1CCc2nnnn2CC1	ZINC22_307359278	168.196	CYLRMVXIQZFBIV-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002772
c12CC(CCCc1cn[nH]2)CF	MCULE-2839789433,EMOLS-id_170746002	168.211	UJMRHZDVQAVKHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002773
O=C1Cn2nccc2CCN1C([2H])([2H])[2H]	PC-id_140921629	168.211	CFKMLVZOAOPYRH-FIBGUPNXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002774
C1=CCOc2c(OC1)csc2	PC-id_101809742	168.213	AIAZHMMNSWRXOY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002775
C=C1COc2c(OC1)csc2	PC-id_102393410	168.213	JZZOMNCNGWOWSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002776
O=C1CCc2c(CO1)csc2	PC-id_101754666	168.213	PERNNJFDIUDGOK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002777
O=C1CCCSc2c1cco2	SCHEMBL9865613,PC-id_14450469	168.213	MBNCIEININHPQU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002778
s1c2c(CCOCC2=O)cc1	PC-id_83816056	168.213	YIIRVGMJYHWYJB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002779
s1c2CCOCC(=O)c2cc1	PC-id_82413256	168.213	RKPBWPDMUCKZSV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002780
C1CNSc2c(C1=O)[nH]cc2	PC-id_91165941	168.216	FEDVFGNQLIRXEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002781
C1CNSc2c[nH]cc2C1=O	PC-id_91609191	168.216	JWMIYWGSCDMCSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002782
NC1=NCCOc2c1scc2	SCHEMBL8197502,PC-id_24894152	168.216	NZHZTEBAKPIRJP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002783
O=C1c2c(ccs2)NCCN1	ZINC22_57218770,MCULE-3966433183,PC-id_50990322,EMOLS-id_32444539,SCHEMBL504352	168.216	DBHYNUPWRUCSDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002784
O=C1CCSc2n(N1)ccc2	PC-id_145339587	168.216	HUZHVSKTEPVOMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002785
O=C1NCCCc2c1ncs2	PC-id_69025462,SCHEMBL4388765	168.216	SNOKMSHVQIKGPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002786
c1(CCC)c2-c(cc1)ccccc2	PC-id_10397225	170.25	HYJHGLNFNVGVBH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002974
OCc1nn2c(c1)C[NH2+]CCC2	GD-id_ZINC43827407,PC-id_52194466	168.216	OMXZUACVERIOMC-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-002787
s1c2c(nc1)CCCNC2=O	PC-id_6424587	168.216	ZTNXJGYKODNHIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002788
s1c2NC(=O)CCCc2nc1	PC-id_82652902	168.216	PMUAIOSPGPOFIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002789
c12-c(ccc(cc1)C=CC)ccc2	PC-id_11816090	168.234	PDGWRRUDFBZYIP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002790
c12-c(ccc(cc1)CC=C)ccc2	PC-id_85970798	168.234	WCGBJDUPPYPAMY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002791
c1(cc2-c(c1)ccccc2)CC=C	PC-id_85970802	168.234	IVFHCPGYUJQUOV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002792
CC(=C)c1ccc2-c1ccccc2	PC-id_144228351	168.234	IFBOZHIOZHWVGO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002793
C1CCN(c2c(C1)scc2)[O-]	PC-id_88403549	168.236	BZYIIGBRWLCLMO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002794
O=[N+]1CCCCc2c1ccs2	PC-id_19881114,SCHEMBL9037858	168.236	UERSNPIMKHTTOS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002795
C1=NSc2c(C=C1)ncs2	SCHEMBL1763319,PC-id_67152758	168.239	QKTBRXJFVRACBV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002796
[S-]c1n2CCCCCc2nn1	PC-id_51567514	168.239	LHTDDLHSHLGVMC-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-002797
[S-]c1nn2CCCCCc2n1	PC-id_59609031	168.239	LSCHHNBPEMGLBC-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-002798
Cc1nn(c2c1CCNCC2)C([2H])([2H])[2H]	PC-id_145769838	168.254	KGHOHJITAILNGG-BMSJAHLVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002799
c12CC(CCCc1ccs2)O	MCULE-9298891474,EMOLS-id_317743479	168.256	AJWIRRVAYQVSBA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002800
Cc1c2CCCCOc2cs1	SCHEMBL15693297,PC-id_90137711	168.256	NHLFFMQDTBXNTF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002801
CC1CCc2c(OC1)csc2	PC-id_89667830,SCHEMBL15082553	168.256	NNJJCTHLXYOHOV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002802
OC1Cc2c(scc2)CCC1	MCULE-9520118454,EMOLS-id_276897518	168.256	UPZJZAPDNUFZMW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002803
O[C@H]1CCCc2sccc2C1	EMOLS-id_337226070	168.256	UPZJZAPDNUFZMW-QMMMGPOBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002804
S1CCCCc2c1oc(c2)C	PC-id_12347443	168.256	LVFNKSQGBGNGPK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002805
c12C(CCCCc1scn2)N	MCULE-5927233729,EMOLS-id_316752168	168.259	JIWHJQKYJMAPLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002806
C1CN(CCc2c1ccs2)N	SCHEMBL13068414,PC-id_89009724	168.259	NOGDVYODKWHYJE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002807
Cc1nc2CCCCNc2s1	ZINC22_34179564,EMOLS-id_313490035,MCULE-6087162049,PC-id_10080776	168.259	SVIMKDGJMCRXGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002808
Cc1nc2CCNCCc2s1	SCHEMBL6436015,MCULE-2283208593,PC-id_22620750,EMOLS-id_324783142	168.259	IJOXCYHYKMSECI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002809
Cc1[nH]nc2c1CCCCS2	PC-id_144597602	168.259	LMFZJVBAJRXKCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002810
Cc1nn2c(c1)SCCCC2	PC-id_144597642	168.259	VFUSTEKVRWLWMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002811
Cc1n[nH]c2c1CSCCC2	SCHEMBL18798848	168.259	FWNGJSJIWWQMHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002812
CN1CCc2c(CC1)ncs2	SCHEMBL12363792,PC-id_58386430	168.259	MJHMGCDKKDCKSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002813
n1c2CCCCCc2sc1N	CoCoCo_406289,SPECS-id_AO-080/43379320,STOCK6S-99659,EMOLS-id_299983015,MCULE-8979532788,MS2_ST095515,SPECS-id_AN-153/I164748,CHEMBL1178745,PC-id_4362935,SCHEMBL1670074,ZINC22_2533979	168.259	RTUODTFOELDCNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002816
n1c(C)sc2c1CCCNC2	MCULE-2409369382,SCHEMBL21451979,PC-id_21139057	168.259	RYHJOQNWGGVJKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002817
Nc1cc2c(s1)CCCNC2	SCHEMBL12810740,PC-id_68383594	168.259	SOUXJMPQBARUFQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002818
Nc1cc2c(s1)CNCCC2	PC-id_98012197	168.259	ASEYQQZXRIGWQA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002819
Nc1scc2c1CCCNC2	PC-id_98012192	168.259	IJTQJKFQDQQGRZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002820
Nc1scc2c1CNCCC2	PC-id_98012191	168.259	GZISOVHFQTWHAV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002821
s1c2CCCCNc2nc1C	PC-id_21139048	168.259	DFLPIGHATHMORT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002822
s1c2CCCNCc2nc1C	PC-id_21139053	168.259	QMIFZBOUPLVGTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002823
s1c2NCCC(Cc2nc1)C	PC-id_82652935	168.259	RWVUHACLFAAFIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002824
s1cc2NC(CCNc2c1)C	PC-id_14967321	168.259	JGOJEVFARMBAGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002825
s1nnc2CCCCCCc12	PC-id_12206276	168.259	XHCCCLGWQOWEFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002826
Sc1nc2c([nH]1)CCCCC2	EMOLS-id_114404760,SPECS-id_AT-225/JK06484,PC-id_51056151	168.259	LXFIEMOCCLEXQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002827
S1CCc2c(C=C1)csc2	PC-id_86255535	168.279	ARIYTCJQRQMQNF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002828
C1CC=Cc2c(C1)[nH]c(n2)Cl	PC-id_90965557	168.623	RFNCXDINFPXQKO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002829
ClC1CCN=c2c(=C1)cc[nH]2	PC-id_143712040	168.623	ULLIPJHNQQIHJY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002830
C1C(=O)C2=C(NCS1)NN=C2	PC-id_154157222	169.031	SAFRAOLXBRDVMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002831
C1CC2=C(CNC1)C=NN2S	PC-id_154685679	169.067	FCIWCXSBVZNQKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002832
O=C1OC(=O)Oc2c(O1)c[nH]c2	SCHEMBL7266292	169.092	MIUXGJNXEBWHQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002833
CN1C2=C(CCNCC2F)C=N1	PC-id_165098586	169.102	OJKFDIDOHMDXOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002834
CN1C=C2CCNCC(C2=N1)F	PC-id_165028403	169.102	KGIRJEHEVZAIGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002835
[2H]C([2H])([2H])N1C2=C(CCOCC2)C(=N1)C	PC-id_153487598	169.129	UIOWILBDZUPJGE-BMSJAHLVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002836
[n+]1([O-])onc2C(=O)NCCCc12	MCULE-8633237342,PC-id_549251,EMOLS-id_1192276,CHEMBL1302873,CoCoCo_38254,STOCK1S-58896,ZINC22_51204,BAS-00318847,SCHEMBL9306430	169.138	DLNXQWKSSBBFKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002837
C1CC(=O)c2cn(nc2NC1)F	PC-id_137029839	169.156	DYCCPMPBPJADPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002838
C1CN(CCc2c1cn[nH]2)P	PC-id_89066497,SCHEMBL13356229	169.164	TZYAOUOEZBDAKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002839
c1ccc2-c(c(cc2)N=C=O)cc1	PC-id_91278138	169.179	WTUJQOHUZWUIPG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002840
Oc1c(c2-c(c1)ccccc2)C#N	PC-id_85560130	169.179	UXOCTEGFZYOCRL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002841
Oc1cc2-c(c1)ccc(cc2)C#N	PC-id_85630654	169.179	CJTVBOSGBNWURD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002842
Oc1ccc2-c(ccc2C#N)cc1	PC-id_10749648	169.179	LAXOSSBECPJOOC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002843
O=CC1=C=c2cc[nH]c2=C=CC=C1	PC-id_143564481	169.179	LVJNNGDGVNEBEN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002844
CN1COOCc2c1ncn2C	PC-id_121279262,SCHEMBL17682133	169.181	VXKMEQQHYQXVDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002845
Cn1nc(c2c1OCCCO2)N	PC-id_96632046	169.181	PTABKIQNPRPMMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002846
O=c1n2n(CCCCC2)c(=O)[nH]1	PC-id_70449503,SCHEMBL10813802	169.181	DKGBQKBYTPZLLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002847
OCc1n2c(CCOCC2)nn1	ZINC22_521399395,MCULE-3383970553,EMOLS-id_95493408	169.181	CHMIIDAKGWNKAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002848
OCC1OCc2[nH]nnc2CC1	MCULE-3827318219	169.181	CQDLUGRLGIQAFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002849
C#Cn1nnc2c1C=CC=CC=C2	PC-id_102581289	169.183	BJNJVSUOCSXCNP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002850
n1c2-c(c(c1N)C#N)ccccc2	PC-id_10057924	169.183	DQCISQCTHJFVAZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002851
N#CC1=CC=Cc2c(C=C1)cn[nH]2	PC-id_142707764	169.183	BWFLGYVDXWNSFL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002852
N#CCn1ccc2c1N=CC=C=C2	PC-id_144664270	169.183	DSWGFJPBSIKWDZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002853
N(=[N+]=[N-])c1cc2-c(c1)ccccc2	PC-id_85691376	169.183	CFRNIZZEYMBMCS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002854
[N-]=[N+]=Nc1ccc2-c1ccccc2	PC-id_118629049,SCHEMBL11966877,SCHEMBL17398936	169.183	VEEWAGOFSPNKSX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002855
OC1NC(N)c2[nH]cnc2NC1	PC-id_45120894	169.184	UTMRAKFSZSIJMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002856
O[C@H]1CNc2c([C@H](N1)N)[nH]cn2	PC-id_93512553	169.184	UTMRAKFSZSIJMY-UCORVYFPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002857
O[C@@H]1CNc2c([C@H](N1)N)[nH]cn2	PC-id_93512554	169.184	UTMRAKFSZSIJMY-WUJLRWPWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002858
O[C@H]1CNc2c([C@@H](N1)N)[nH]cn2	PC-id_93512555	169.184	UTMRAKFSZSIJMY-WVZVXSGGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002859
O[C@@H]1CNc2c([C@@H](N1)N)[nH]cn2	PC-id_93512556	169.184	UTMRAKFSZSIJMY-NQXXGFSBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002860
c12CC(CCCc1cno2)CF	MCULE-7748391967,EMOLS-id_170746023	169.196	HWFINPJBNYQCQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002861
C[n+]1c(c2c(o1)CCNCC2)O	PC-id_88610968	169.201	IQPWSMRSMWNRRG-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-002862
s1c2c(OCCNC2=O)cc1	PC-id_85717726	169.201	QQQJWRRASQLINP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002863
s1c2OCCNC(=O)c2cc1	PC-id_85717721	169.201	NVVAHDMJDWGAEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002864
s1cc2c(OCCNC2=O)c1	PC-id_85717724	169.201	MDSKRMASYVTWGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002865
C1c2c(NC(=O)CS1)[nH]nc2	SCHEMBL11883856,PC-id_136427744	169.204	VEGJYAZYLIZDDK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002866
s1nnc2CCCNC(=O)c12	PC-id_84653471	169.204	SXXLVMOLLNBMOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002867
N(=Cc1cc2-c(c1)ccccc2)C	PC-id_12121412	169.222	RCDSJIOTAJEMPG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002868
C1CC[NH+](c2c(C1)scc2)[O-]	PC-id_88403548,SCHEMBL9037861	169.244	ZVHBSQWUZDVIRB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002869
c1csc2CCNCC(O)c12	MCULE-8882858379,EMOLS-id_43440260,SCHEMBL2835154,PC-id_11636878	169.244	DDPZHHCKZWIJJB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002870
Cc1nc2c(s1)COCCC2	PC-id_143436367	169.244	BZWKXGIBYSYJJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002871
OC1CCNCc2c1ccs2	SCHEMBL2841868,PC-id_68412204	169.244	JKWIGRZYSSMUDQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002872
O=c1[nH]c2CCCCCc2s1	ZINC22_34669803,PC-id_43286722,MCULE-4832041808,EMOLS-id_32442125	169.244	VGXLWHYMJAQRHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002873
O[C@@H]1CNCCc2sccc12	SCHEMBL3044542,ZINC22_35975659,PC-id_68491133	169.244	DDPZHHCKZWIJJB-SSDOTTSWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002874
O[C@H]1CNCCc2sccc12	ZINC22_35975661,PC-id_68491132,SCHEMBL3044539	169.244	DDPZHHCKZWIJJB-ZETCQYMHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002875
s1c2c(C(N)COCC2)cc1	PC-id_82598055	169.244	BAMXEVWDUXTCJA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002876
s1c2C(O)CCNCc2cc1	PC-id_83679560	169.244	AZBRLDNNEUYVRU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002877
Sc1nc2c(o1)CCCCC2	EMOLS-id_97112299,EMOLS-id_114408652,PC-id_13226146	169.244	IYRSBXIGWTTZKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002878
C1Cc2c(CNC1)nc(s2)N	PC-id_87958717,SCHEMBL6224294	169.247	UARBIAFCEREHDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002879
Cc1nnc2CCSCCn12	MCULE-7004742451,PC-id_68301575,SCHEMBL12510210,EMOLS-id_337792285	169.247	AVEHAJIJDWFJMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002880
Cc1nnc2n1CCCSC2	PC-id_68301576,SCHEMBL12510211	169.247	WQZORBNIKATRFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002881
Cc1nnc2n1CSCCC2	PC-id_143209031	169.247	WGNNZPBLNQXWJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002882
n12CCCCCc1nc(S)n2	SCHEMBL2491342,PC-id_5110413,MCULE-4365585479,ZINC22_396056,SPECS-id_AT-225/JK19178	169.247	LSCHHNBPEMGLBC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002883
N1CCc2sc(N)nc2CC1	ZINC22_22047189,MCULE-5937423676,PC-id_19985785,EMOLS-id_8318814,SCHEMBL3307726	169.247	HJMYDEARHJTQRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002884
Nc1nc2c(s1)CNCCC2	MCULE-3658489469,SCHEMBL12101179,PC-id_23087977	169.247	UDHXZPSZRDIEIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002885
Nc1nc2NCCCCc2s1	MCULE-2108065005,EMOLS-id_317470313	169.247	HUQFGATYFKWYLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002886
NN1CCc2c(CC1)ncs2	SCHEMBL9871027,PC-id_67946697	169.247	HHFFRQOTEVDNPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002887
s1c2CNCCNc2nc1C	PC-id_21139051	169.247	AWKVSMPOCRNWTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002888
s1c2NCCNCc2nc1C	PC-id_21139054	169.247	NAZYBGONVUDXSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002889
S1CCc2c([nH]nc2N)CC1	PC-id_83871649	169.247	VHXFBNLLMKHVJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002890
Sc1n2c(CCCCC2)nn1	SCHEMBL14204046,EMOLS-id_33399612,PC-id_3750322,EMOLS-id_829103,CoCoCo_3705377,MCULE-3338857005,ZINC22_16776872,CoCoCo_3705378	169.247	LHTDDLHSHLGVMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002891
C1C(=COC2=CSC=C2O1)O	PC-id_153947398	170.004	BOMPFWYQNBJWIP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002892
C1CCOc2c(cnn2C1)S	PC-id_164001625	170.051	UJKZDFVEENTOOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002893
O=C1OC(=O)Oc2c(O1)coc2	SCHEMBL8651781	170.076	XOOUPHNKXSMXMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002894
O=c1oc(=O)oc2oc(o1)cc2	SCHEMBL7175614	170.076	NHYRRWAFQDYCRJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002895
CC1=C2C=CNC2=CCC(=C1)C#N	PC-id_153582650	170.084	ZGKNXJSSCIYBIF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002896
C1COC(CN2C1=CN=C2)CF	PC-id_153937394	170.086	BOEZBZFNIDMEQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002897
CCC1=CC2=CC=CC=C(C2=C1)C	PC-id_154376639	170.11	UFBYZINNXJQMJP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002898
CC1(C)OCc2nonc2CO1	ZINC22_409021926	170.166	ALWKKIVTHJVHOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002899
O1CCn2n(CC1)c(=O)cc2O	SCHEMBL5998971,PC-id_69630851	170.166	UZEKNHYNGUWERU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002900
c1ccc2-c([nH]c(=O)c2C#N)cc1	MCULE-6054880082,PC-id_10080801,SCHEMBL9156941	170.167	OSDCMRIMJQMSNC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002901
[C-]#[N+]c1c(=N)oc2-c1ccccc2	SCHEMBL13042320,PC-id_59563865	170.167	NMJJYKQUQJWRPI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002902
[C-]#[N+]c1c(=O)[nH]c2-c1ccccc2	PC-id_59563902,SCHEMBL13042319	170.167	YDBLCZIWOUONCG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002903
N#Cc1c(=N)oc2-c1ccccc2	PC-id_12693488,SCHEMBL13078193	170.167	IKFLJENABIPDKX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002904
N#[N+]c1cc2-c(c1)ccccc2[O-]	PC-id_101012448	170.167	NRJRLTPDZSTFJT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002905
N#[N+]c1cc2-c(c1)ccc(cc2)[O-]	PC-id_101012450	170.167	LNZNXFHDGCBOQW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002906
N#[N+]c1ccc2-c1ccccc2[O-]	PC-id_101012438	170.167	OIKFJTKDPIBGSN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002907
N#[N+]c1ccc2-c1cccc(c2)[O-]	PC-id_101012440	170.167	YNSDRBRUCKLPCE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002908
N#[N+]c1ccc2-c1ccc(cc2)[O-]	PC-id_101012442	170.167	JJILOHJWIZEVAN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002909
N#[N+]c1ccc2-c1cc([O-])ccc2	PC-id_101012444	170.167	UKRPFVJQCAAMTO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002910
N#[N+]c1ccc2-c1c([O-])cccc2	PC-id_101012446	170.167	QJKGSUBWKGDDPC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002911
N#[N+]c1ccc(cc2-c1ccc2)[O-]	PC-id_101012434	170.167	NEVWQTZBQWOJOT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002912
N#[N+]c1c([O-])cc2-c1ccccc2	PC-id_101012436	170.167	XEBLMYJGMQNTBJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002913
N#[N+]c1c([O-])cccc2-c1ccc2	PC-id_101012452	170.167	IBAONPXJQLBZHY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002914
OC1(O)CCCc2n(C1)nnn2	PC-id_144470743	170.169	SGQCIPXVRZQWJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002915
OC1(O)CCCCc2n1nnn2	PC-id_144470742	170.169	NEBWCYDDXPPLBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002916
OC1(O)CCCCn2c1nnn2	PC-id_144470738	170.169	PFFDZMQTEXWZAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002917
OC1(O)CCn2c(CC1)nnn2	PC-id_144470727	170.169	FZPANDSXZIKLSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002918
n1c2-c(cc1N=[N+]=[N-])ccccc2	PC-id_85691379	170.171	WPBNIKUOKLFRPL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002919
FCc1ncn2c1CCOCC2	PC-id_141409072	170.184	FTWZDOBCFBMTEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002920
C1COC(=O)c2c(O1)ccs2	PC-id_135379810,SCHEMBL20561610	170.186	YWYIFZQCPGKURD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002921
C1c2c(NC(=O)CS1)onc2	SCHEMBL11884604,PC-id_136427767	170.189	HXMWTJBKSUNOCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002922
O=C1CCSc2nncn2N1	PC-id_50850166,ZINC22_45920972	170.192	OVMHCYBFNCNLCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002923
c1cc2-c(cc(ccc2)CC=O)c1	PC-id_87410071,SCHEMBL2586836	170.207	IORWFNMVXLYWQK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002924
c1ccccc2c(ccc1)occ2	PC-id_141004407	170.207	JWRLCKXARXMZRH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002925
CC(=O)c1ccc2-c1ccccc2	SCHEMBL3852134,PC-id_11182880	170.207	ZHXBSSXNKXXLOK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002926
CC(=O)c1ccc2-c(cc1)ccc2	PC-id_102071709	170.207	PAMDHSDRWJUUFK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002927
CC(=O)c1cccc2-c(c1)ccc2	PC-id_12550082,SCHEMBL2586835	170.207	ZCZQTBSUHUDEPA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002928
[N-]=[N+]=Cc1ccc2-c1c([2H])cccc2[2H]	PC-id_122221731	170.207	ARHJDTKDAJSYFJ-KFRNQKGQSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002929
O=Cc1c2-c(c(c1)C)ccccc2	SCHEMBL13324712,PC-id_13924933	170.207	LDAPUEFZPIBCCV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002930
O=C(c1cc2-c(c1)ccccc2)C	PC-id_15255141	170.207	ZCAOSPBJAKKOFV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002931
O=Cc1ccc2-c1ccccc2C	CNP0191132,PC-id_21703125,UNPD11950,SCHEMBL5711185	170.207	XFIJHAZBIDZQAB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002932
O=Cc1c(C)cc2-c1ccccc2	SCHEMBL15676174	170.207	BEYFIUDRAQBYIB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002933
C=Cc1cc2=NC=CC=CC=c2[nH]1	PC-id_137210134	170.21	VWUFNWRFJCCGTC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002934
N#CC1(C)C=CC=c2c(=C1)cc[nH]2	PC-id_142223700	170.21	SYCFBRWOOCAUMO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002935
[nH]1c2c(nc1)C#CCCCCC#C2	PC-id_10241228	170.21	WQIQGJVOYFRXAQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002936
NN=c1cc2-c(c1)cccccc2	PC-id_102219417	170.21	YHHDSARHTVKGMA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002937
c1ccc2cc[nH]c2ccncc1	PC-id_90975726	170.211	XFKNJZFIBAFQAH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002938
NC(=N)c1c2-c(cc1)ccccc2	PC-id_54401861,SCHEMBL7151686	170.211	VNZBKOMHHNBFPS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002939
C1CCOc2c(OC1)scc2	PC-id_67074947,SCHEMBL1556649	170.229	BYNQIMLJJZEXBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002940
C1CCOOc2cscc2C1	PC-id_87075641,SCHEMBL182363	170.229	KYYJWPMQOJXKRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002941
C1COc2cscc2OCC1	SCHEMBL3396627,MCULE-1295255496,PC-id_68626850	170.229	NGDQARFGFFQENN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002942
CC1CCOc2c(O1)csc2	PC-id_22486045,SCHEMBL4853891	170.229	QWLOQTFTGVXUQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002943
CC1COc2c(OC1)csc2	PC-id_22486051,SCHEMBL3395322	170.229	ZPNBZMUFFHCECY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002944
C1Cc2c(CSC1)[nH]c(=O)[nH]2	SCHEMBL15828414,PC-id_90244226	170.232	FSGLMWLNGKSJOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002945
C1CNCCc2c1[nH]c(=O)s2	SCHEMBL15283096,PC-id_86697866	170.232	FMCBVVINOIICMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002946
Oc1nsc2c1CCNCC2	BindingDB_PC-id_44382989,CHEMBL170753,PC-id_44382988	170.232	FMGALWVOSRWVLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002947
s1c2NCCCCc2[nH]c1=O	PC-id_82653212	170.232	WZWMXAKPOITUTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002948
S1CCc2c(noc2N)CC1	PC-id_83871642	170.232	QNANNMMTQZGDSN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002949
S1CCc2c(onc2N)CC1	PC-id_82412384	170.232	NVSGXQPHZGQLGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002950
S1NCCC(O)c2[nH]ccc12	PC-id_53772424	170.232	DPOIKCKICSVDFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002951
S=c1[nH]cc2n1CCOCC2	PC-id_142514480	170.232	JAKOTMRDPPSBEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002952
S=c1oc2c([nH]1)CCCCN2	PC-id_141847633	170.232	HTUOVBLNACKWLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002953
n1c(N)nn2CCCCSc12	EMOLS-id_53895631,ZINC22_137641337,PC-id_11321211,MCULE-1654798854	170.235	SCUCYKCVRGQOIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002954
Nc1nnc2n1CCCCS2	EMOLS-id_107078550,PC-id_11423826	170.235	BQWLHZRLQPVETE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002955
S1CCn2c(nnc2N)CC1	PC-id_84653834	170.235	VWNGVFIIGWSYAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002956
S=c1n2CCCNCc2n[nH]1	PC-id_83874040	170.235	RHRGOQXMVXLUQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002957
S=c1n2CCNCCc2n[nH]1	PC-id_83874039	170.235	XDUUAGAUZUAFHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002958
Fc1cc2c(s1)CCCCC2	PC-id_143781073	170.247	XHTRAWZLDQKKJJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002959
[c-]12c(ccc1)C(=C[C-](C=C2C)C)C	PC-id_21945265	170.25	PQJWPDQHSQNJHG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002960
c12-c(ccc1C)cc(ccc2C)C	PC-id_15402461	170.25	QSJCRTNARCGJKG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002961
c12-c(ccc1C)ccc(cc2C)C	PC-id_19996714	170.25	LNVZUOFXRPANBA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002962
c12-c(cc(c1)C)ccc(cc2C)C	PC-id_21703121	170.25	USIZVNMBBQNENG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002963
c12-c(cc(c1C)C)ccc(cc2)C	PC-id_14961867	170.25	OGHIDGWNQJAUOH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002964
c12-c(cc(c1C)C)cccc(c2)C	PC-id_19245295,CoCoCo_6311656	170.25	SUKAVBUFDHKUKZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002965
c12-c(c(cccc1C)C)ccc2C	PC-id_13609823	170.25	RPYZMWVYCHVMBL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002966
c12-c(c(ccc(c1)C)C)ccc2C	PC-id_15402460	170.25	SYANQWVVSQGSJF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002967
c12-c(c(cc(cc1C)C)C)ccc2	EMOLS-id_590767,STOCK1N-11515,CHEBI:87304,PC-id_70333,TIMTEC436252,SPECS-id_AS-970/QB07879,MCULE-3364280907,CoCoCo_5391702,SPECS-id_AT-225/NB64235,LI_120869,NSC79580	170.25	RUNBRXWUHPOTOO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002968
c12-c(ccc(cc1C)CC)ccc2	PC-id_85898904	170.25	MRDCHGHLRCTSEF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002969
c12-c(cc(c(cc1C)C)C)ccc2	PC-id_85898911	170.25	PSYGLJMJPAMTDK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002970
c1(c(c2-c(c1)ccccc2)C)CC	PC-id_12571409	170.25	BSAGGMVLHUPPBJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002971
c1(cc2-c(c1)ccc(cc2)C)CC	PC-id_58795168	170.25	MBTAGLOCTFLMDX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002972
c1(c(c2-c(c1C)ccccc2)C)C	PC-id_19913328	170.25	RHAUWYPYSGQECH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002973
C(c1c2-c(cc1)ccccc2)(C)C	PC-id_10329741	170.25	PGMUWFCRDIIWCB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002976
C(c1c2-c(ccc2)cccc1)(C)C	PC-id_56623641	170.25	UCJHBCQEBRMMNE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002977
Cc1c2-c(cc(c2)C)c(ccc1)C	PC-id_91600715	170.25	HSKHSSWDZSMFMX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002978
C(c1cc2-c(c1)ccccc2)(C)C	PC-id_21956165	170.25	SGXXWHQQGCFGPM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002979
C(c1cc2-c(ccc1)ccc2)(C)C	PC-id_15602626	170.25	DIRVKNYGBKMFEJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002980
Cc1ccc2-c(cc1)c(cc2C)C	PC-id_101680223	170.25	RPQJNEXKDNQOQM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002981
C(c1ccc2-c(cc1)ccc2)(C)C	PC-id_13849082	170.25	BBGWKYCWKNERBV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002982
Cc1ccccc2-c1cc(c2C)C	PC-id_102576493	170.25	UCKHEJRTKGVEGN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002983
s1c2CC[NH2+]CCc2nc1N	PC-id_29970719	170.255	HJMYDEARHJTQRX-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-002984
S1CCc2c(N=N1)ccs2	SCHEMBL19114859	170.255	VPKCROKSSZBHCZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002985
Clc1ccc2n1CCNCC2	PC-id_96850868	170.639	MEBNUMWTLWRHEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002986
Clc1nc2c([nH]1)CCCCC2	PC-id_14997477,SCHEMBL9443478	170.639	OYBKSIIYPYKASD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002987
Clc1nc2n(CCCCC2)c1	PC-id_82412219	170.639	NNWIIVLFXIUAEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002988
Clc1[nH]nc2c1CCCCC2	EMOLS-id_41630274,PC-id_66020121	170.639	JCBPHYGYIIKCIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002989
C1=CC2=CC=CC(=CC2=C1)C(=O)[O-]	PC-id_154198673	171.045	DITZKPGGPGEQCE-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-002990
C1=CC2=CC=C(C=CC2=C1)C(=O)[O-]	PC-id_164173894	171.045	ZXUDREQRIKKTDF-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-002991
C1=CC=C2C=C(C=C2C=C1)C(=O)[O-]	PC-id_148242539	171.045	USGSIOLMWXWKQP-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-002992
C1=CC=C(C2=CC=CC2=C1)C(=O)[O-]	PC-id_154489856	171.045	PSMKKHUJRQHZJZ-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-002993
C1CC2=C(CNC1)C=C(S2)F	PC-id_152687525,EMOLS-id_324124369	171.052	ZOWSARNKOBYVBP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002994
C1CC2=C(CNC1)SC(=C2)F	PC-id_150454617	171.052	HONDTLQSMMSMQP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-002995
[B]c1cnc2n1NC(=O)C=CC=C2	PC-id_163629033	171.06	MBHINPXXVCELQG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-002996
CC1(C=CC=C2C=CNC2=C1)C=C	PC-id_153619983	171.105	GFWKURFKIJWXNV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-002997
o1c2-c(c(c1=O)C#N)ccccc2	PC-id_12571405	171.152	DWPQWYVZRTZELM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-002998
O1CCn2n(CC1)c(=O)[nH]c2=O	PC-id_69912987,SCHEMBL6839157	171.154	FSYRXKNFLVTFAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-002999
Fc1ccc2-c(ccc2C#N)cc1	PC-id_10583305	171.17	XHPGHVKJXZPFGQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003000
c1ccc2-c(c(cc2)C=NO)cc1	CT-id_2201829,PC-id_87209050,HMDB0248823	171.195	LHPJANNUQBDRNT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003001
c1ccc2-c(c(c(c2)N)C=O)cc1	PC-id_87505535,SCHEMBL3288294	171.195	CYKBHQOGGHYEEL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003002
c1ccc2-c(c(cc2)NC=O)cc1	SCHEMBL4233553,PC-id_85790602	171.195	INAVJZQJAQEPQX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003003
N#CC1=CC(C)C=Cc2c1cco2	SCHEMBL21236335,PC-id_139381693	171.195	NOJCKQLHSNEZMX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003004
NC(=O)c1cc2-c(c1)ccccc2	PC-id_67061252,SCHEMBL1516770	171.195	NAKHLHGIRYQKOY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003005
NC(=O)c1ccc2-c1ccccc2	SCHEMBL656983,PC-id_66759323	171.195	UKQGRFHJKRMHOB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003006
NC(=O)c1ccc2-c(cc1)ccc2	PC-id_142572645	171.195	QPHFSIQADBRMJG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003007
NC(=O)c1cccc2-c(c1)ccc2	SCHEMBL6999225,PC-id_69956619	171.195	GGALNBJCICGQNL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003008
NC(=O)c1ccccc2-c1ccc2	SCHEMBL16149659,PC-id_117631454	171.195	ZKPLTKJWUZOJDL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003009
O=Cc1cn(c2c1C=CC=C=C2)C	PC-id_145512482	171.195	IHYZBJAYBRMVHJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003010
O=Cc1nc2-c(c1C)ccccc2	PC-id_102075909	171.195	FVGWFKQMLQPDGQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003011
OC#Cc1cc2=CC=CCC=c2[nH]1	PC-id_143581928	171.195	JGYZFGMQIZOSED-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003012
O=CNc1c2-c(ccc2)cccc1	PC-id_86052650	171.195	WEEJLFKKBJMQRM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003013
O=CNc1cc2-c(c1)ccccc2	PC-id_86052644	171.195	NIKGHNFMISTCOE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003014
O=CNc1ccc2-c(ccc2)cc1	PC-id_85832058	171.195	DNBMVXMLDDTXGS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003015
O=NCc1c2-c(cc1)ccccc2	PC-id_54295077	171.195	SAFQPSLAXCGQHA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003016
ON=Cc1c2-c(ccc2)cccc1	PC-id_86112968	171.195	CAFQATZRFAGKPC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003017
O/N=C/c1ccc2-c1ccccc2	2201829_OpenMolecule	171.195	LHPJANNUQBDRNT-XYOKQWHBSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003018
O/N=Cc1ccc2-c1ccccc2	PC-id_139065741,2201939_OpenMolecule	171.195	LHPJANNUQBDRNT-WQLSENKSSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003019
O/N=C/c1ccc2-c(ccc2)cc1	PC-id_13545276	171.195	WYHIKSGNVGHONN-XYOKQWHBSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003020
ON=Cc1ccc2-c(ccc2)cc1	PC-id_73184151	171.195	WYHIKSGNVGHONN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003021
[O-][NH+]=Cc1ccc2-c1ccccc2	SCHEMBL1176992	171.195	CRKVAFFTMGUPQE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003022
c1cccc2n[nH]nc2cccc1	SCHEMBL20445532,PC-id_135280907	171.199	SNAJXLJVGAJWFF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003023
c1cccnc2c(ccc1)cn[nH]2	PC-id_144007439	171.199	MKRGUTSKEOJGRS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003024
N#Cc1c[nH]c2c1CC=C(C=N2)C	PC-id_142858086	171.199	IHJYFZRHIHHVQS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003025
C1CSCc2c(N1)[nH]c(=O)[nH]2	SCHEMBL15828426,PC-id_90244238	171.22	UXTWLKBDUBKWNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003026
Fc1nc2CCCCCc2s1	EMOLS-id_49866190,MCULE-6370353756,PC-id_99989040	171.235	DCSXZGJKVXQFEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003027
s1c2C(F)CCNCc2cc1	PC-id_71306221	171.235	MLJFSJFTDDGILB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003028
CC1=CC=c2c(=CC1)c(=C)c(=C)[nH]2	SCHEMBL19604173	171.238	SPIPWAKMINXFBZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003029
CC1=CC=c2c(=CC=C1)ccn2C	PC-id_143819012	171.238	IMNYPAATANPMOP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003030
CC(c1ccc2-c1ccccc2)N	SCHEMBL3852918,PC-id_57834058	171.238	MABIXIYVZACDND-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003031
n1c(c(c2-c1ccccc2)C)CC	PC-id_15305007	171.238	HKCWPWDMZMQWIA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003032
n1c(C(C)C)cc2-c1ccccc2	PC-id_45096508	171.238	ZEEKYYVXNIZNDE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003033
N(c1c2-c(cc1)ccccc2)(C)C	PC-id_85565010	171.238	IJRAAYMCDPNVCJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003034
N(c1c2-c(ccc2)cccc1)(C)C	PC-id_14983221	171.238	SFARQRSIVCPMTK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003035
N(c1cc2-c(c1)ccccc2)(C)C	PC-id_11332728	171.238	BIKLAHPLZSRSFT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003036
Nc1c(c2-c(c1C)ccccc2)C	PC-id_21063073	171.238	SZTJNRHKOVXHQQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003037
N(c1ccc2-c(cc1)ccc2)(C)C	PC-id_15468902	171.238	PAPKSPMVQCNFHF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003038
NCCc1c2-c(cc1)ccccc2	PC-id_13435108	171.238	WHLCRURVSONBEK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003039
c1ccc2-c(c(cc2)[Si]=O)cc1	PC-id_89544123	171.247	UBRDDNHCQBJEOP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003040
C1Cc2c[nH]cc2SSC1	PC-id_86186391,SCHEMBL14582977	171.283	FICYXBRODCWGTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003041
C1CCc2c(SN1)ccs2	SCHEMBL8871757,PC-id_67713548	171.283	QFQURQKPTYEFEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003042
C1CSc2c(CN1)scc2	SCHEMBL10369268,PC-id_70352522	171.283	LJIKZMCWFICFTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003043
Clc1noc2CCCCCc12	PC-id_13395798	171.624	TVAXCLFMNLVZQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003044
Clc1oc2CCCCNc2c1	PC-id_83816331	171.624	HZWZUJXFHGPKKM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003045
Clc1n2CCCNCc2cn1	PC-id_83874119	171.627	PKBXTQUAMQUOJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003046
Clc1n2CCNCCc2cn1	PC-id_83874118	171.627	LCDGFYQXUNZTKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003047
Clc1nn2CCCCCc2n1	PC-id_84654257	171.627	DGYALCIEQHHGIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003048
Clc1nnc2CCCCCn12	EMOLS-id_208143113,MCULE-4568548370	171.627	MSQAHLIVEOIXRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003049
B(c1c2-c(ccccc2)cc1)(O)O	PC-id_91132920	171.988	NPLODLHCEBCTBI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003050
OB(O)c1cc2-c(c1)ccccc2	PC-id_57416374	171.988	GLWPXMJSTASIDU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003051
CCC1(C)C=Cc2c(C=C1)bn[nH]2	PC-id_144276060	172.035	XDHBBGGYWSDXHI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003052
C1=CC=C2C=C(N=C2C=C1)C(=O)[O-]	PC-id_154499331	172.04	AHDBKMBQARQFKI-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-003053
C1=NC2=C(C(=NC#N)N=C1)NN=C2	PC-id_153676492	172.05	KTTRGMWLAZGWEY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003054
CC1=CC=C2C1=CC=CC(=C2)CO	PC-id_153947035	172.089	MDDJWHKUYMEGSM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003055
CC1(C=CC2=C(CC#C1)C=NN2)C	PC-id_163990726	172.1	UAKKTVBDTSQMAJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003056
c12OCC(=O)COc1nsn2	MCULE-6675249564,PC-id_121210524	172.162	QCEYKEDLVBAVRE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003057
Oc1c(c2-c(c1C)ccccc2)C	PC-id_21063074	172.223	XCUUNGTYZABZQM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003086
c1(C(=O)O)ccc2-c1ccccc2	PC-id_47237,SCHEMBL1479704,EMOLS-id_982960,MCULE-9798696942,CNP0447819,ZINC22_1997953	172.18	HGLFWLLFPGIKOT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003058
N#Cc1c(=N)oc2-c1cc([2H])cc(c2)[2H]	PC-id_101163309	172.18	IKFLJENABIPDKX-PBNXXWCMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003059
O(c1c2-c(cc1)ccccc2)C=O	SCHEMBL1533468,PC-id_53970117	172.18	JRAHCNLDERCSCL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003060
Oc1ccc2-c(ccc2C=O)cc1	PC-id_10535195	172.18	ANXHFANZVXEGMA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003061
OC(=O)c1c2-c(ccc2)cccc1	PC-id_17855255,SCHEMBL7407371	172.18	PSMKKHUJRQHZJZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003062
OC(=O)c1cc2-c(c1)ccccc2	PC-id_16721003,SCHEMBL1516884	172.18	USGSIOLMWXWKQP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003063
OC(=O)c1cc2-c(ccc2)ccc1	PC-id_13545271,SCHEMBL437537	172.18	DITZKPGGPGEQCE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003064
OC(=O)c1ccc2-c(ccc2)cc1	PC-id_15496570	172.18	ZXUDREQRIKKTDF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003065
c1cc(cc2-c(ncc2)c1)/C=NO	SCHEMBL10389909,PC-id_136467086	172.183	UNCNILQCUPTOCH-GHXNOFRVSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003066
c1cc(cc2-c(ncc2)c1)C=NO	SCHEMBL10389910,PC-id_136467087	172.183	UNCNILQCUPTOCH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003067
C1=CC(=CN=O)C=c2cc[nH]c2=C1	PC-id_88603916	172.183	KDCSFQABKHFLHX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003068
N#Cc1nc2c(o1)C=CC(C=C2)C	PC-id_143776074	172.183	SOCSIZNFYSXRRP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003069
NC(=O)c1cnc2-c1ccccc2	PC-id_142654183	172.183	FZORYZWSOORCGE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003070
O=Cc1c2-c(nc1N)ccccc2	SCHEMBL3284737,PC-id_15141510	172.183	CGUSEFWRHJVEKE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003071
O=NCc1cc2-c(ncc2)ccc1	PC-id_54315572	172.183	SNXMHDWXKCYIHI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003072
C1C=CC=c2c(=C1)n(nn2)CC#N	SCHEMBL19848474,PC-id_134239543	172.187	SMYFXTNIVOXMCO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003073
N#CC1=NCc2c(C=C1C)cn[nH]2	PC-id_138460141,SCHEMBL20804436	172.187	NMDCOJFGNRTLCC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003074
OC1COc2c(OC1)csc2	PC-id_21958363,SCHEMBL1632969	172.202	NDVHIVXONKKUGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003075
C1CS(=O)Cc2n[nH]nc2N1	PC-id_137182518	172.208	YPXWRSZPAFHVKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003076
CC(c1cc2=CC=CC=C=c2o1)C	PC-id_142960641	172.223	ACYLUOQACBHTSQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003077
CC(c1ccc2-c1ccccc2)O	SCHEMBL3854616,PC-id_68814812	172.223	JHOKCEKMCYWJQM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003078
CCOc1ccccc2-c1ccc2	PC-id_134994835	172.223	JGQUHNGOJGQEAU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003079
COc1ccccc2-c1c(C)cc2	PC-id_10241260,SCHEMBL9876280	172.223	IWBGMFOOYGBBOU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003080
COCc1ccc2-c1ccccc2	PC-id_121006664	172.223	JIRCELUMOXUQRH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003081
Fc1n[nH]c2c1CSCCC2	PC-id_144954912	172.223	QMZIWUYCTOZHTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003082
O(c1c2-c(cc1)ccccc2)CC	PC-id_24974886	172.223	OHUXQEDQUWRRLA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003083
Oc1c2-c(c(ccc1)C)ccc2C	PC-id_11557365	172.223	QFMMPMIAQLXLHA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003084
O(c1ccc2-c(ccc2C)cc1)C	PC-id_86148574	172.223	WOTKQABUFIVVBQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003088
Oc1ccc2-c(ccc2CC)cc1	PC-id_86148581	172.223	NSZHZWMPMFFZSB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003089
Oc1cc(C)c2-c(c(c1)C)ccc2	PC-id_110174499	172.223	OCBWZOQRCZMPKQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003090
OCc1c2-c(c(c1)C)ccccc2	PC-id_13728058,SCHEMBL10824756	172.223	NXECPULUCJREII-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003091
O(Cc1c2-c(ccc2)cccc1)C	PC-id_13349661	172.223	CEZYNJNHBWMXCB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003092
OCc1cc2-c(c1)ccc(cc2)C	PC-id_85895223	172.223	KQDVWNARUYAXQD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003093
OCc1ccc2-c(cc(c2)C)cc1	PC-id_85870943	172.223	DVQNXDBCHJNZIV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003094
OCCc1c2-c(cc1)ccccc2	SCHEMBL10609360,PC-id_14545177	172.223	SFUFRTNWICZWHD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003095
OCCc1c2-c(ccc2)cccc1	PC-id_139647	172.223	NUNNFXWRAPYHDM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003096
OCCc1ccc2-c(cc1)ccc2	PC-id_71436497	172.223	PIALBGANEASKIO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003097
Cc1cc2=CC(=CCC=c2[nH]1)C=N	PC-id_144008482	172.226	AIUOGUGQQNWHBS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003098
Cc1c[nH]c2c1ccccc2=NC	PC-id_137167918	172.226	VCKSDJAGBSQIMO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003099
Cc1c([nH]c2c1ccccc2=N)C	PC-id_137219466	172.226	YBGOZAXZVAXJOB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003100
Cc1nc2=CC=CC=CC=c2n1C	PC-id_142616291	172.226	MWQMWSZRAAXEBT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003101
CC(c1cnc2-c1ccccc2)N	SCHEMBL13680765,PC-id_57833728	172.226	BWGKNVCWCHLPOD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003102
CCc1c[nH]c2c1ccccc2=N	PC-id_137197517	172.226	KNZDGTJSZSEMCK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003103
CCc1nc2c(n1C)C=C=CC=C2	PC-id_142910506	172.226	FAWNUTTXTIOGEM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003104
CC(c1nn2c(c1)C=C=CC=C2)C	PC-id_143595174	172.226	UENFEFLHHFCMNU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003105
N(c1nc2-c(c1)ccccc2)CC	PC-id_15210844	172.226	WWGDBZJRPUGYQX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003106
N(c1ncc2-c(cc1)ccc2)(C)C	PC-id_24977638	172.226	CVQFVRWCUAGXHF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003107
N(c1ncccc2-c1ccc2)(C)C	PC-id_12588739	172.226	BKUPYQGBIRAOQX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003108
c1ccc2-c(c(cc2)[SiH]=O)cc1	SCHEMBL14919914,PC-id_137331068	172.255	WXPOVXBKHVGMCH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003109
C1CSc2c(SC1)c[nH]n2	SCHEMBL4948968,PC-id_69252772	172.271	ZCJXMROAYWKBJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003110
ClC1CCCc2n(nnn2)C1	PC-id_71356499	172.615	IJSYIKMNBJIQMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003111
Clc1n2CCCNCc2nn1	PC-id_72213344	172.615	ZINBUSJDRFIHSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003112
Clc1nn2CCCNCc2n1	PC-id_72213346	172.615	NQZWNNFZNLUKBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003113
C1C=CC=CC2=C1C=C(S2)C#N	PC-id_154449408	173.03	BIKWDCLQHZZXQO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003114
C1=CC2=CN=NC2=CC=C1C(=O)[O-]	PC-id_153970950	173.036	VENKCKZOWGKHPF-UHFFFAOYSA-M	00000010100000000111000000000010000000000000000000000000	31-01-003115
C1=CC=C2C(=NC(=N2)C(=O)[O-])C=C1	PC-id_162139071	173.036	ZJRMWUHARILZAZ-UHFFFAOYSA-M	00000010100000000111000000000010000000000000000000000000	31-01-003116
C1=CC=C2C(=NN=C2C(=O)[O-])C=C1	PC-id_153788256	173.036	JXNILWHNMQZAIM-UHFFFAOYSA-M	00000010100000000111000000000010000000000000000000000000	31-01-003117
C1=CC=C(C2=NN=CC2=C1)C(=O)[O-]	PC-id_148245419	173.036	NLWOLFNMAZDVBE-UHFFFAOYSA-M	00000010100000000111000000000010000000000000000000000000	31-01-003118
C1=CC=NC2=NC=C(C2=C1)C(=O)[O-]	PC-id_148995397	173.036	OAKILCOXVLLHDI-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-003119
C1=CN=CC2=CN=CC2=C1C(=O)[O-]	PC-id_153998214	173.036	KLDXRAVKUUATFT-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-003120
C1C=C2C(=CC=C1C#N)NC(=O)N2	PC-id_154552737	173.059	SHYZUIBOULRZMK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003121
C1=CN=CC2=CN=CC2=C1C(=O)N	PC-id_154124575	173.059	ZUMJEPXKIFHBAQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003122
CC1(C=CC=C2C(=C1)N=NN2)C=C	PC-id_152969171	173.095	USCRZEBKYYCMKM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003123
CCC1=C2C(=CC(=CC1)C)C=CN2	PC-id_163868745	173.12	PIYAVJBAEIMKCC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003124
FC1CCCC(c2n1cnn2)F	PC-id_117709822,SCHEMBL16253534	173.163	WELYNOBLTCDLKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003125
FC1CCCC(c2n1ncn2)F	SCHEMBL18501345	173.163	NTOLKVFULPLGIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003126
FC1(F)CCCc2n(C1)cnn2	SCHEMBL18501363	173.163	LZXKCAVUQHLIDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003127
FC1(F)CCCc2n(C1)ncn2	PC-id_117709828,SCHEMBL16253540	173.163	LLOGUZNLRLHQDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003128
FC1(F)CCCCc2n1cnn2	SCHEMBL18501357	173.163	VWLFUHQMTWHXTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003129
FC1(F)CCCCc2n1ncn2	PC-id_117709849,SCHEMBL16253562	173.163	DDSSSLGFZQMJRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003130
FC1(F)CCCn2c(C1)ncn2	PC-id_117709845,SCHEMBL16253558	173.163	BRFOLNOZZNACIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003131
FC1(F)CCCn2c(C1)nnc2	SCHEMBL18501348	173.163	NBEHSHNZYNFJDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003132
FC1(F)CCn2c(CC1)ncn2	SCHEMBL18501341	173.163	AVVOVPSTCYVGAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003133
FC1(F)CCn2c(CC1)nnc2	SCHEMBL16253533,PC-id_117709821	173.163	MLLNNQCLHVQRIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003134
C1C=c2[nH]c(=O)oc2=CC(=C1)C#C	PC-id_141988285	173.168	GNVHCDRHYZTPPI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003135
O=c1[nH]c2-c(c1C=O)ccccc2	PC-id_10035068,SCHEMBL3723678	173.168	LNCAPUMBOGHPHX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003136
OC(=O)c1cc2-c(c1)ccncc2	PC-id_118394520,SCHEMBL17112959	173.168	VVBRVJPORADGPA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003137
OC(=O)c1cc2-c(n1)ccccc2	PC-id_140971778	173.168	AHDBKMBQARQFKI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003138
OC(=O)c1cc2-c(ncc2)ccc1	PC-id_23049688,SCHEMBL9665770	173.168	NQOFUTIVGVYQCF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003139
[O-][N+](=O)c1c2-c(cc1)ccccc2	SCHEMBL11792031,PC-id_12288467	173.168	ANMVHJPIGPTCSG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003140
[O-][N+](=O)c1c2-c(ccc2)cccc1	PC-id_85565013	173.168	BVYCSQOYGRRPLC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003141
[O-][N+](=O)c1cc2-c(c1)ccccc2	PC-id_13082872	173.168	WLJQSKHBXAWLRN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003142
[O-][N+](=O)c1cc2-c(ccc2)ccc1	PC-id_12550079	173.168	INVOLQIVYRLRPT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003143
[O-][N+](=O)c1ccc2-c(ccc2)cc1	PC-id_85565016	173.168	KQVLJXVHFIDADW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003144
NC(=O)c1nc2-c(n1)ccccc2	PC-id_141378442	173.171	YTHZGTBOMVANCI-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003145
NC(=O)c1nnc2-c1ccccc2	PC-id_67529053,SCHEMBL2773648	173.171	WWAFSLUZQOZZNF-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003146
C1N=CC(=Cc2cncn12)NC#N	PC-id_88713283,SCHEMBL11042944	173.175	XNELFPAAPSFVDL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003147
n12c(C/C(=N/C#N)/C=NC1)cnc2	PC-id_57167145	173.175	QKJGCUXQHFYIKP-GHXNOFRVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003148
o1c2-c(c(c1=N)C#N)c(cc(cc2[2H])[2H])[2H]	PC-id_60153594	173.186	IKFLJENABIPDKX-NHPOFCFZSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003149
c12c(OCC(N)CO1)nsn2	PC-id_121210526,MCULE-6039313416	173.193	CKAQCFKTODPNJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003150
Cc1c(C)cc2-c([nH]c1=O)ccc2	PC-id_144188636	173.211	PZQDAMSNXXWYQO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003151
Cc1[nH]c(C)c2ccc(=O)ccc12	ZINC22_1590667,PC-id_143438,CoCoCo_5633915	173.211	INRROICIHSZSAW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003152
CC(C1=c2ccoc2=CC=C=N1)C	PC-id_134590895,SCHEMBL20244027	173.211	NJTJOBUFKQXUBD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003153
CC(C1=c2occc2=CC=C=N1)C	SCHEMBL20244025,PC-id_134590893	173.211	SMFAZZSJMOTCFD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003154
CC(C1=c2occc2=CN=C=C1)C	PC-id_138722306,SCHEMBL21100680	173.211	HIHUDICHMMQJGI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003155
CC(C1=Cc2ccoc2N=C=C1)C	PC-id_138722252,SCHEMBL21100624	173.211	YTJDFCCKFYRPTM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003156
CC(C1=Cc2ncoc2C=C=C1)C	PC-id_145127687	173.211	ZRPSZAAYOSPSBF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003157
CC(C1=Cc2ocnc2C=C=C1)C	PC-id_145127698	173.211	YROIOWKEXXNJMW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003158
CCC1=CC=C=Cc2c1c(C)no2	PC-id_145265717	173.211	TZJPVLIROUYPSG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003159
CCc1c(=O)[nH]c2-c1ccccc2	SCHEMBL11278926,PC-id_12852675	173.211	CKGJZQIXZIBOJC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003160
COc1ccccc2-c1ncc2C	PC-id_121218592	173.211	SFSPKHAWVDDUMY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003161
O=c1c(cc2c(cn(c2)C)cc1)C	PC-id_13464305	173.211	HPCSYLORSPBEML-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003162
O(c1nc2-c(c1)ccccc2)CC	PC-id_85653990	173.211	HUOOHNOMWZBEGA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003163
O=c1n(c2-c(c1C)ccccc2)C	PC-id_14809924	173.211	DRWINFJLMZICCX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003164
O=Cc1cc2=CC(C)C=CC=c2[nH]1	PC-id_143113750	173.211	TVROEOCCHIWDJS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003165
O=Cc1cc2c(n1C)C=CCC=C2	PC-id_144620683	173.211	VLTNHLFTQUXTMT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003166
O=CC1(C)C=Cc2c(C=C1)cc[nH]2	PC-id_142246453	173.211	FMCCWCREKUGKRK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003167
O=Cc1c(C)[nH]c2=CC=CCC=c12	PC-id_142979565	173.211	MEYYNKJQUYRQSK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003168
O=Cc1cn(c2c1C=CCC=C2)C	PC-id_145488460	173.211	YBHLMAYLFJQSJV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003169
Cc1c2ccccc(=NC)c2n[nH]1	PC-id_135746958	173.214	QVMIBJZUSLAVRK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003170
CC(C1=Cn2ccnc2C=C=N1)C	PC-id_138725318,SCHEMBL21103952	173.214	QFJSDIPYESNKLO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003171
CC(C1=Cn2ccnc2N=C=C1)C	SCHEMBL21103825,PC-id_138725202	173.214	NYMNVNHJTKHBIF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003172
C=CCn1nc2c(n1)C=CCC=C2	PC-id_144328514	173.214	QXVRNAJZAPFCCS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003173
N(c1c2-c(c(nn2)C)cccc1)C	PC-id_12830383	173.214	VJEWOJBMVSQBOO-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003174
N(c1nc2-c(n1)ccccc2)(C)C	PC-id_16545	173.214	MUSSAIHTXTYOSV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003175
N(c1ncc2-c(ccc2)cn1)(C)C	PC-id_5248315	173.214	AECFCZCJXFNDRC-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003176
Cc1cc2-c(cc[o+]2)cc(c1C)C	PC-id_85543508	173.231	YRCMSCQUGIYIOU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003177
[o+]1c2-c(cc(cc(c2C)C)C)cc1	PC-id_85911967	173.231	PVKJVXICASMGMK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003178
[o+]1cc2-c(cc(c(c(c2)C)C)C)c1	PC-id_85543511	173.231	VMLZODJKQVZWOR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003179
CC1=c2cc[nH]c2=CC(C=C1)(C)C	PC-id_142152419	173.254	BUUDZNDZJXCLED-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003180
Cc1cc2=CC(C=CC=c2[nH]1)(C)C	PC-id_90887070	173.254	QDHLNUXFVMVDRQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003181
CC1=CC=c2c(=CC1)c(C)c([nH]2)C	PC-id_143060902	173.254	LRBWZAFEOHDHPB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003182
CC1C=CCc2c(C=C1)[nH]cc2C	PC-id_134604083,SCHEMBL20258572	173.254	YDLSCYRYRUEEPC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003183
CCC1C=c2c(=CC=C1C)cc[nH]2	SCHEMBL14873061,PC-id_89509470	173.254	BDBFZELURRWTGP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003184
CCC1(C)C=Cc2c(C=C1)cc[nH]2	PC-id_139483045,SCHEMBL21350103	173.254	FYHUQMDDDSKNPS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003185
CCC1=CC=CCc2c1cc([nH]2)C	PC-id_142166597	173.254	MVXWYUOMXZNCLI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003186
C#Cc1cn(c2c1CCCCC2)C	PC-id_145769807	173.254	XUWZNXQWUHHDNN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003187
CCCc1c[nH]c2=CC=CCC=c12	PC-id_142862472	173.254	QMRZEEUJHVNIND-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003188
CCCn1ccc2c1C=CC=CC2	PC-id_144102928	173.254	UVWLMHXBPWAESV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003189
CCn1c(C)cc2=CC=CCC=c12	SCHEMBL18976300	173.254	WQIUZGKTFOXHKY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003190
Cn1ccc2c1C=CC(C=C2)(C)C	SCHEMBL18688409	173.254	VQVHLPDRKJYLNG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003191
C1CSc2[n+](CC1)ncs2	PC-id_139207331	173.279	LBHKFSQCXAZPKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003192
C1=CC2=CN=NC2=CC=C1C(=O)O	PC-id_153970951	174.043	VENKCKZOWGKHPF-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003193
C1=CC=C2C(=NC(=N2)C(=O)O)C=C1	PC-id_162139072	174.043	ZJRMWUHARILZAZ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003194
C1=CC=NC2=NC=C(C2=C1)C(=O)O	PC-id_148995398	174.043	OAKILCOXVLLHDI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003195
C1=CN=CC2=CN=CC2=C1C(=O)O	PC-id_153998215	174.043	KLDXRAVKUUATFT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003196
C1=CN=CC=C2C1=CN=C2C(=O)O	PC-id_153942350	174.043	KTCFXPKJDLMCKT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003197
C1=CN=C(C=C2C1=CN=C2)C(=O)O	PC-id_161414258	174.043	WRUBKWMIJYFVMU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003198
C1CCn2c(nnn2)C(C1)(F)F	PC-id_163817858	174.072	NSVWVGPPQYTGBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003199
C1C=C(C=C2C=CNC2=C1)C(=O)N	PC-id_163951736	174.079	RZXNLQSCMBQDMV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003200
CC(C)C1=NC=CN=C2C1=NC=N2	PC-id_155223994	174.091	TVGFZWWQBKMLFH-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003201
CC1=Cn2ccnc2C=CC1(C)C	PC-id_163792451	174.116	MXYQMESQZSEJFM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003202
CC1=CN=C2N1C=CC(C=C2)(C)C	PC-id_148263978	174.116	KSEWFSUHIYLCIK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003203
CCC1(C=CC2=CC=NN2C=C1)C	PC-id_153378854	174.116	UPAIJIAAYMNELM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003204
CCC1(C=CC=CC2=C1NN=C2)C	PC-id_153570681	174.116	LBKNCVBVIMPUKK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003205
CCn1c(nc2c1C=CC=CC2)C	PC-id_163968610	174.116	SOAFZAIUYAFFRP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003206
FC1CCCC(c2n1nnn2)F	PC-id_71467956,SCHEMBL16255487	174.151	PIISFVOUGPHZNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003207
FC1(F)CCCc2n(C1)nnn2	SCHEMBL16255520,PC-id_117711209	174.151	AJEKXQUGJNTRMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003208
FC1(F)CCCCc2n1nnn2	PC-id_117711210,SCHEMBL16255521	174.151	SXPWBAIVFVVQDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003209
FC1(F)CCn2c(CC1)nnn2	PC-id_71467862,SCHEMBL13730488	174.151	XSDFHVKIBQXNAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003210
c1ccc2=c(ccc1)c(=O)oc2=O	PC-id_91231637	174.153	YVJSWSCZAGZEQJ-UHFFFAOYSA-N	00000001100000000110000000000010000000000000000000000000	31-01-003211
o1c2-c(c(c1=O)C=O)ccccc2	PC-id_10397266	174.153	XOZHQQKOONCYJU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003212
OC(=O)c1c2-c(cnn2)cccc1	PC-id_68528156,SCHEMBL3145728	174.156	NLWOLFNMAZDVBE-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003213
OC(=O)c1cc2-c(n1)ccncc2	PC-id_145799429	174.156	BHKNXTLTNNVUIV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003214
OC(=O)c1nnc2-c1ccccc2	PC-id_68654188,SCHEMBL3467730	174.156	JXNILWHNMQZAIM-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003215
NC(=O)c1nnc2-c(cc1)ncc2	SCHEMBL18797671	174.159	XHYJRHBZCFJMQK-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003216
Fc1c2-c(cc1)ccc(cc2)C=O	PC-id_85831381	174.171	DMPLRPUOXSBWBT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003217
Fc1c2-c(c(c1)C=O)ccccc2	PC-id_15257569	174.171	CGOSWEXWQHLPDH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003218
c12OCC(COc1nsn2)O	PC-id_121210523,MCULE-6107449405	174.178	HKABBYMUKLEMDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003219
FC1CCOc2c(O1)csc2	SCHEMBL5730755,PC-id_17973840	174.193	JCAZESCGKNTQOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003220
FC1COc2c(OC1)csc2	PC-id_17973843,SCHEMBL5731729	174.193	ARQYYYJFJHIHMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003221
o1c2c(c(c1)C)cc(ccc2=O)C	PC-id_14616508	174.196	FVACIIKISZCKKZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003222
o1c2c(cc(c(=O)c(c2)C)C)cc1	PC-id_15921149	174.196	MGQUJLSNJNHHBA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003223
o1cc2c(cc(c(=O)c(c2)C)C)c1	PC-id_15921152	174.196	ALZQJTPLYDWVFY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003224
O=CC1=CCc2c(C=C1)occ2C	PC-id_142850066	174.196	UXNZUCOHKRDVHF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003225
O=CC1=CCC=c2c(=C1)c(C)co2	PC-id_144840826	174.196	BAFHNHSTXNGCGI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003226
C1C=CC(=Cc2cccn12)C(=O)N	PC-id_91154325	174.199	SCWBFMHYOZKNIA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003227
Cc1cccc2-c(c1C)[nH]c(=O)n2	SCHEMBL9337220,PC-id_56617590	174.199	RDNFOXDDCPDMTP-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003228
CC(C1=c2ccoc2=NC=C=N1)C	PC-id_138722308,SCHEMBL21100682	174.199	QTLIYKRAUUOIAI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003229
CC(C1=c2ncoc2=CC=C=N1)C	SCHEMBL21126940,PC-id_138745455	174.199	TWVMNPHFCYINKI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003230
CC(C1=c2ncoc2=CN=C=C1)C	SCHEMBL21100532,PC-id_138722164	174.199	BNFYWJHGEOVALN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003231
CC(C1=c2occc2=NC=C=N1)C	SCHEMBL20244022,PC-id_134590890	174.199	IWBWATAQYYARKD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003232
CC(C1=c2ocnc2=CC=C=N1)C	PC-id_134590894,SCHEMBL20244026	174.199	YRBSSDAJYWHOKQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003233
CC(C1=c2ocnc2=CN=C=C1)C	SCHEMBL21100535,PC-id_138722167	174.199	VAFNHVPYBMKBNI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003234
CC(C1=C=NC=Nc2c1occ2)C	SCHEMBL21100623,PC-id_138722251	174.199	ZRTUOVMDVKZBEA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003235
CCc1[nH]c2c(n1)c(=O)cccc2	PC-id_102179654	174.199	GAPNDSLQDMLCHO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003236
CCOc1ccccc2-c1ncn2	PC-id_89854578,SCHEMBL15323226	174.199	IGZPXYZUEUOMKC-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003237
CC(=O)c1c[nH]c2=NC=CCC=c12	PC-id_143712730	174.199	OWVHIHACMSYHJZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003238
CC(=O)c1nc2c([nH]1)CC=CC=C2	PC-id_143028310	174.199	CXFDOJZIZQVMPJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003239
NC(=O)c1cc2c([nH]1)CC=CC=C2	PC-id_144935988	174.199	DZLCMTFOXMBCNW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003240
O=c1c2n(nc(c2cccc1)C)C	PC-id_12621631	174.199	ZKYMWDKETZJOOD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003241
O=c1c2nn(c(c2cccc1)C)C	PC-id_12621632	174.199	KFWHOAYFXATEIP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003242
O(c1nc2-c(n1)ccccc2)CC	PC-id_85524040	174.199	PKINNEQAJUDVPX-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003243
Cc1c2cccc/c(=N/N)/c2n[nH]1	PC-id_135837363	174.202	DGWOEOURIOUYGB-FLIBITNWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003244
Cc1[nH]nccc2c(cc1)[nH]nc2	PC-id_144007409	174.202	HAILAEDKTAHTSF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003245
CC(C1=Cn2ncnc2N=C=C1)C	SCHEMBL21103834,PC-id_138725208	174.202	DWAUOXDJBNUPNV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003246
CC(c1nc2=CN=C=CN=c2[nH]1)C	SCHEMBL18857349	174.202	YSMPOWSJRCPXRU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003247
CC(c1nccnc2-c1cnn2)C	PC-id_138725321	174.202	CCQVVRWIUAZSTK-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003248
CC(C1=NC=C=Nc2c1cn[nH]2)C	SCHEMBL21103956	174.202	NPLRKPQLNPEUNG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003249
CC(C)c1nc2-c(cnccn2)n1	PC-id_137213471	174.202	XOMGTSPTPYSLPR-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003250
CN=c1ccc2c(cc1)nc([nH]2)N	PC-id_137197360	174.202	MIVXOTYEVJNAAT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003251
n1c2-c(nc1NN)cccc(c2)C	PC-id_55280365	174.202	LIDYUZDPDGUSMJ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003252
n1nc(c2-c1c(NN)cccc2)C	PC-id_12529612	174.202	QPQAXRKCIVZBNG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003253
CC1=Nn2cc[n+](c2C=CC=C1)C	PC-id_91154750	174.222	SVNPDXZHQFMAET-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003254
O(c1cc2-c(c1)cc(cc(c2)[2H])[2H])CC	PC-id_10511429	174.235	WAVNIIACMSBMKI-KFRNQKGQSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003255
C1CCCCc2c(C#CC1)coc2	PC-id_102302916	174.239	UTFSJEMKICGRJB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003256
C1CCCCc2cc(C#CC1)oc2	PC-id_102302915	174.239	KVPWVCPTOABLCD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003257
C1CCCCc2oc(C#CC1)cc2	PC-id_102302914	174.239	SPOMATZVNKBTJI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003258
Cc1cc2c(o1)C=CC(C=C2)(C)C	PC-id_143699129	174.239	VSDGTYYLOKRGKD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003259
CC1C=C(C)C=c2c(=C1)oc(c2)C	PC-id_143106562	174.239	DKOVXRKAFVSBRW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003260
CC1C=CC=CC(c2c1cco2)C	PC-id_143306183	174.239	KMCKIMGRXZXLHB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003261
CC1C=CCC(=Cc2c1cco2)C	PC-id_90723484	174.239	LQKOYLGZFIIBBU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003262
CCC1(C)C=Cc2c(C=C1)cco2	PC-id_142022774	174.239	GLCUIWXTVIHVKF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003263
CCc1coc2c1CC=C(C=C2)C	PC-id_143372513	174.239	HMPMLRYFDFNRMT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003264
o1c2CC(=C(C(=Cc2cc1)C)C)C	PC-id_15921156	174.239	PSDHKCBZXDEKCO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003265
o1c2C(=C(CC(=Cc2cc1)C)C)C	PC-id_85911960	174.239	LBJKWUUCGHMLBF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003266
o1c2C(C(=CC(=Cc2cc1)C)C)C	PC-id_85911964	174.239	WYMXPYRWPWQEFR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003267
o1c2c(CC(=C(C(=C2)C)C)C)cc1	PC-id_15921155	174.239	HEZXEIJFGPRXHC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003268
o1c2c(C=C(C(C(=C2)C)C)C)cc1	PC-id_15921157	174.239	OIHOUEZMEITKLM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003269
o1c2c(CC(=CC(=C2C)C)C)cc1	PC-id_85911963	174.239	QQTASWQYTVSZJK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003270
o1c2c(CCCCCCC#C2)cc1	PC-id_85810004	174.239	ZOOXQYXOVWBYKS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003271
o1cc2CC(=C(C(=Cc2c1)C)C)C	PC-id_15921158	174.239	RJXUGLUCHBBRSM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003272
o1cc2C=C(C(C(=Cc2c1)C)C)C	PC-id_15921159	174.239	UPGYYCIUCCKLLW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003273
CC1=Cc2nc(n(c2C=CC1)C)C	PC-id_145270577	174.242	KNAZMYPKAORDPP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003274
CC1=Cc2[nH]ncc2C(C=C1)(C)C	SCHEMBL10331935,PC-id_68112464	174.242	GLXKWVWXLHQCET-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003275
CC1C=CC=c2c(=C1)nc(n2C)C	PC-id_141840669	174.242	DKSMKFRQEJSKFH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003276
CC1(C=CC=c2cc[nH]c2=C1)NC	PC-id_91057039	174.242	BBZRONOHPFSWAO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003277
CC1(CC)C=c2cc[nH]c2=NC=C1	PC-id_144407266	174.242	WRTBWPNGBIFFLB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003278
CC1=CCC=C(c2c1ncn2C)C	PC-id_143996306	174.242	AVCPELHXQCNRJI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003279
CC1C=C(C)C=c2c(=C1)nc([nH]2)C	PC-id_144400737	174.242	SULAMSZXQGUILK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003280
CC1(C)C=CCc2c(C=C1)nc[nH]2	PC-id_143422469	174.242	SNXWCRVJMUSVPS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003281
CC1=CC(C)(C)c2c(C=C1)nc[nH]2	PC-id_144266415	174.242	ZHRABVQWGJQGOS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003282
CC1C=CC(C)C=c2c(=C1)[nH]cn2	PC-id_141930001	174.242	UGTODGLPBVNDHO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003283
CC1=CC(C)(C)C=Nc2c1cc[nH]2	PC-id_145332053	174.242	PYBDQERQNXVGKS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003284
CC1CC=CN=C(c2c1cc[nH]2)C	SCHEMBL20245527,PC-id_137286974	174.242	SDSOPYXDHZUIGI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003285
Cc1nc2c([nH]1)C=CC(C=C2)(C)C	PC-id_142092051	174.242	DYCLXFSARPQCTN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003286
Cc1nc2n(c1)C=CC(C=C2)(C)C	SCHEMBL19720902	174.242	DESUDUUMNXSHGQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003287
Cc1[nH]c2=CC=CC(C=c2n1)(C)C	PC-id_143038768	174.242	XSQCRUOXYCBQRW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003288
CCC1=CCc2c(C=C1)cnn2C	PC-id_143587787	174.242	IPSNJEVIRPDTSZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003289
CCC1=CCc2c(C=C1)n(C)nc2	PC-id_143343801	174.242	YXRJTYBAQZOFTG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003290
CC(C1C=CC=c2c(=C1)nc[nH]2)C	PC-id_145130299	174.242	RKOSXWUZVWRPDU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003291
CCC1(C)C=Cc2c(C=C1)cn[nH]2	PC-id_142022779	174.242	IONFKGDZSAVFTG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003292
CCC1(C)C=Cc2c(C=C1)nc[nH]2	PC-id_145086194	174.242	WCZJRKLEHXQDOW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003293
CCC1(C)C=CC=c2c(=C1)cn[nH]2	PC-id_142447430	174.242	MBYOFVWOCNXBAE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003294
CCC1(C)C=CC=c2c(=C1)[nH]nc2	PC-id_144603221	174.242	CXQSHASUHLAPSK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003295
CCC1(C)C=Cn2c(C=C1)ncc2	PC-id_144796047	174.242	PDJSHRMVGWDJMH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003296
CCc1cnc2n1C=CC(C=C2)C	PC-id_143688222	174.242	YWPAPNLYNZCYRB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003297
C#Cc1nn(c2c1CCCCC2)C	PC-id_145769792	174.242	SSVRYPXTJSEECO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003298
CCCC1=CCc2c(C=C1)[nH]nc2	PC-id_143588039	174.242	ZBQPQJJHZGVPHK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003299
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COc1c(=O)oc2-c1ccccc2	PC-id_101634974	176.169	KXRAZATUPOYORP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003414
o1c2c(c(c1)C(=O)O)C=CC=CC2	PC-id_57262455	176.169	IZZOJLQYYPATEP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003415
o1c2-c(c(c1=O)CO)ccccc2	PC-id_10464823	176.169	RTNSKYCCXURYAE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003416
C1C=CC=Cc2ncc(n12)C(=O)O	PC-id_91302882	176.172	MJGVLAQHYKCWPR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003417
Cc1c2cccc/c(=N/O)/c2no1	PC-id_135604766	176.172	WSRGKDRZVVWFGM-NTMALXAHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003418
Cc1c2ccccc(=NO)c2no1	PC-id_137224928	176.172	WSRGKDRZVVWFGM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003419
Cc1noc2c1cccc/c/2=N/O	PC-id_135604764	176.172	HOWANRDVESRDKW-NTMALXAHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003420
Cc1noc2c1ccccc2=NO	PC-id_137224927	176.172	HOWANRDVESRDKW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003421
o1nc2c(CC=CC=C2)c1C(=O)N	PC-id_57487268	176.172	XBYYOEBUHXUKBD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003422
O(c1cc2c([nH]nc2)ccc1=O)C	PC-id_21825224	176.172	OHPMLNDJDVCLNH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003423
OC(=O)c1ccc2n1CC=CN=C2	PC-id_141751295	176.172	QMWMQJNDAYBVPX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003424
OC(=O)c1nc2n(c1)C=CCC=C2	PC-id_144083354	176.172	CQQFUVSJSKTWQZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003425
OC(=O)C1=NC=CCn2c1ccc2	PC-id_142291352	176.172	CFTKJKZITFXGPS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003426
[O-][N+](=O)C1C=Cc2c(C=C1)cc[nH]2	PC-id_143413991	176.172	STMWKZCMBHIPCT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003427
[O-][N+](=O)C1=CCC=c2c(=C1)[nH]cc2	PC-id_143161639	176.172	ONUNIGRVIIXVCS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003428
NC(=O)c1ncn2c1C=NC=CC2	PC-id_142784880	176.175	GGIZGUBDZIKWQV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003429
NC(=O)n1cnc2c1C=CNC=C2	SCHEMBL17075295,PC-id_118364550	176.175	YRKCDJSNIIXJSK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003430
NC(=O)n1cnc2=CC=CNC=c12	PC-id_118364569,SCHEMBL17075321	176.175	WZDJLUFFBKGGDB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003431
O=C1c2[nH]cnc2NC(=CC)N=C1	PC-id_76141579	176.175	COTXJUBLJFOCSJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003432
CC1C=Cc2c(C=C1)cc([pH]2)C	PC-id_142193102	176.195	WNNLONXYWNMWBZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003433
c12-c(ccc1)cc(cc(c2)C#C)C#C	PC-id_11446642	176.213	NXOVZHVNEZSRDN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003434
c12-c(cc(c1C#C)C#C)ccccc2	PC-id_85773790	176.213	INYUODVRCOWDHA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003435
c12-c(c(cc1C#C)C#C)ccccc2	PC-id_85773792	176.213	KEGZTIJJHVXMAC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003436
CC1=c2ncoc2=C(N=CCC1)C	PC-id_143987376	176.215	DRTLIACMNGNACI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003437
CC1(Cc2nonc2C=CC=C1)C	PC-id_91214418	176.215	WHZOPAJOBLKMGM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003438
CC1C=Cc2c(C=C1)[nH]c(=O)n2C	PC-id_142981278	176.215	ACMFKXZLQZKPSD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003439
CC1C=Cc2c(C(=O)C1)cnn2C	PC-id_121457962,SCHEMBL17895788	176.215	PDWUABTVJUETME-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003440
CC1C=Cc2n(C=C1)n(c(=O)c2)C	PC-id_145505113	176.215	ILXXENLZWUVJJI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003441
CC1C=CC=c2c(=C1)[nH]c(=O)n2C	PC-id_141865681	176.215	WBYDRPQTOQXWSA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003442
CC1=CC(C=Cc2nonc12)(C)C	PC-id_91252486	176.215	ISSOZFSYJGAFNY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003443
Cc1cn2c(n1)C=CC=CC2(C)O	PC-id_145050646	176.215	VCZAQLTWHSXYPD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003444
Cc1nc2c([nH]1)C=CC(C=C2)(C)O	PC-id_143156641	176.215	DKPONPWLGTVCSK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003445
Cc1[nH]c2c(c1C)C=CCNC2=O	PC-id_20647891,ZINC22_75761017	176.215	NRJGYBWBFUBKKE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003446
CCC1=Cc2nonc2C=CC1C	PC-id_144770941	176.215	MZTLNFOJVLTIBM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003447
CCC1(C)C=Cc2c(C=C1)non2	SCHEMBL18560004	176.215	IYYYXTRPFYNWEO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003448
C#Cc1nn(c2c1CCOCC2)C	PC-id_145769748	176.215	YKEKQQVOIQUUBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003449
C[C@H]1C=Cc2c(C(=O)C1)cnn2C	SCHEMBL17895785,PC-id_121457960	176.215	PDWUABTVJUETME-ZETCQYMHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003450
CCn1c(=O)[nH]c2c1C=CC=CC2	PC-id_144467117	176.215	NIZMUKKGNJDGOJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003451
CCn1[nH]c2=CC=CCC=c2c1=O	PC-id_145219586	176.215	QVPZORZWTAHFQF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003452
CC(=O)c1cnn2c1CCCC=C2	PC-id_143263344	176.215	NTHBODAVXHINOT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003453
Cn1cc2C(=O)CCCC=Cc2n1	PC-id_89819525,SCHEMBL15277613	176.215	MWBHHRMDJSPEPC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003454
CNc1cc2c(o1)C=CC(C=N2)C	SCHEMBL19362310	176.215	HDZZQADDPYPCFW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003455
CNc1cc2c(o1)N=CC(C=C2)C	PC-id_145372036	176.215	PBXUSYBXKLXFQO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003456
Nc1noc2c1C=CC(C=C2)(C)C	PC-id_141996553	176.215	ZLZYRAMDXINCEP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003457
N#Cc1cn(c2c1CCOCC2)C	PC-id_145769744	176.215	ZNRZPQRPRKSVOO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003458
N#CCN1CCCc2c(C1)cco2	EMOLS-id_114432830	176.215	DATXZLGTAXTJBB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003459
o1c2CCCCCc2c(c1N)C#N	PC-id_83448107	176.215	LKAJDOUNVUJITD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003460
o1c2CCCCCc2nc1CC#N	PC-id_82410838	176.215	ZDMIREKNSQADTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003461
O1c2n(CCCC1)cc(c2)CC#N	PC-id_84767118	176.215	RQKMDIKAZYYUOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003462
O=C1C(C)C=Cc2c(N1C)cc[nH]2	PC-id_142177607	176.215	FPKXUUKSNDIEMI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003463
O=C1NCC=CCc2c1c(C)c[nH]2	PC-id_141868677	176.215	YTNBPTJZXACKME-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003464
O=c1[nH]c2=CC=CC(C=c2[nH]1)(C)C	PC-id_142064672	176.215	WFENLNZKINIYQD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003465
O=c1[nH]c2c([nH]1)C(C)(C)C=CC=C2	SCHEMBL18874566	176.215	NXGCDPFTIPUOGI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003466
O=C=Nc1cn2CCCCCc2c1	PC-id_83914763	176.215	GXDFSBNDWCVUMW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003467
CC1(CC(=N)C=c2c(=C1)nn[nH]2)C	PC-id_137035248	176.218	FXPAPDOXBOXFKY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003468
Cc1nn2c(n1)N=CC(C=C2)(C)C	SCHEMBL19560716	176.218	OXOJCFSUXJGAEH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003469
CC(C1=NC=CNc2c1nc[nH]2)C	PC-id_138725324,SCHEMBL21103959	176.218	CRFMWBMBMZAURR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003470
C#CCN1CCCn2c(C1)nnc2	EMOLS-id_107157152	176.218	BPNXAAVQWFYSEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003471
CN1CCCn2c(cc(n2)C#N)C1	PC-id_90267792,SCHEMBL15857798	176.218	MGNOXNBUPWVNEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003472
n12CCCCCc1nc(c2N)C#N	PC-id_82410770	176.218	YDAQZRKUAXLVGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003473
n12CCCCCc1nc(N)c2C#N	PC-id_15062529	176.218	VLPHWRGINFEFJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003474
n12CCCCCc1nnc2CC#N	CoCoCo_653440,PC-id_2849424,EMOLS-id_2357748,ZINC22_3885173,MCULE-2229422030	176.218	PSFLXSYUOJMEQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003475
n12CCCCN(c1nc(c2)C#N)C	PC-id_82653764	176.218	RKZIYOUCYOZRHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003476
n12nc(nc1CCCCC2)C[N+]#[C-]	PC-id_83481919	176.218	BLVJSVNLSMKMCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003477
N1(CCCCn2nc(cc12)C#N)C	PC-id_82653765	176.218	JJTZEAOPALVYCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003478
n1c(CC#N)nn2CCCCCc12	EMOLS-id_9871258,MCULE-1445530357,CoCoCo_6600761,ZINC22_28527310,PC-id_16458593	176.218	PKDREKZISDWHAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003479
Cc1cc2sccc2c(=O)cc1	NSC294745,LI_181806,CoCoCo_5582137,PC-id_325652	176.235	IIJTWTQNHRADAI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003480
OCc1cc2=CC=CC=C=c2s1	PC-id_143234861	176.235	DSEFLYLEPUQVIU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003481
s1c2c(cc1C)ccccc2=O	PC-id_15914496	176.235	FWGJBICYTYTGBS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003482
s1c2c(cc1C)c(=O)cccc2	PC-id_12344641	176.235	AGVZEJPQLOEZBP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003483
s1cc2c(ccc(=O)c(c2)C)c1	PC-id_15561621	176.235	WUJSSJMQWXOHDL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003484
Cc1ccc2-c(cc1)nc(n2)S	SCHEMBL9864593,PC-id_20064369	176.238	NDMMCVVHHSKDHZ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003485
CCc1nc2c(s1)N=C=CC=C2	PC-id_139522420,SCHEMBL21395494	176.238	OAEVTJRZGWUWSC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003486
CSc1nc2-c(n1)ccccc2	SCHEMBL9864937,PC-id_15123038	176.238	ACHKEORJBJGXBW-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003487
o1c2c(CCCCCCC=C2)cc1	PC-id_85810007	176.255	ZJINVRPYRIQLRK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003488
CC1=c2c(=CCCC1)n(c(n2)C)C	PC-id_134288755,SCHEMBL19904846	176.258	VOYDNSRPYOAHKK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003489
CC1Cc2c(C=C(C1C)C)nc[nH]2	PC-id_91578619	176.258	DJFWXZLJCJTIHD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003490
CC1C=Cc2c(CC1C)nc([nH]2)C	PC-id_118422912,SCHEMBL17146831	176.258	YZFFZGIWFMTWGY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003491
CC1CC(=Cc2c(C1)ncn2C)C	SCHEMBL13376593,PC-id_89075768	176.258	XALNFUUMJRGNLB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003492
CC1C=CCCn2c(CC1)ncc2	SCHEMBL12150120,PC-id_68199384	176.258	NPTMURYGMCGEDA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003493
CC(=C1CCCCn2c1ncc2)C	SCHEMBL12408131,PC-id_58259691	176.258	ABXNJVLYYFDFQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003494
N1(CCCn2c(C1)ccc2)CC=C	PC-id_3775472	176.258	CXKRLOSDJOREHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003495
CC1=c2ccsc2=C(CC=C1)C	PC-id_143987388	176.278	ZTBSQASPADCUJU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003496
CC1C=Cc2c(C=C1)cc(s2)C	PC-id_141783959	176.278	LWDGBDZBZWFKMR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003497
CC1=CC=c2c(=CC1)cc(s2)C	PC-id_90360695,SCHEMBL15976658	176.278	WEKSPOREANNAPE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003498
CC1C=Cc2c(C=C1)scc2C	PC-id_142541325	176.278	JRHIUENLLAWIHF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003499
CC1(C)C=Cc2c(C=C1)ccs2	SCHEMBL4436511,PC-id_69043624	176.278	LXPXESRWPRXACD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003500
CC1(C)C=Cc2c(C=C1)csc2	SCHEMBL21447911,PC-id_139569466	176.278	KOPPRBGGLIVGNO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003501
CC1(C)C=CC=c2c(=C1)ccs2	PC-id_143253894	176.278	STYNRRBXKNFOEB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003502
CC1C=CCC=c2c(=C1)scc2	PC-id_142140965	176.278	STVHCDRXKGLDLU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003503
Cc1sc2c(c1C)C=CCC=C2	PC-id_144190900	176.278	KEVFYQLZYSVOGJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003504
CCC1=CC=c2c(=CC1)ccs2	PC-id_139516229,SCHEMBL21388512	176.278	PHRNSVHTZIYQDF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003505
CCC1C=CC=Cc2c1scc2	SCHEMBL20830558,PC-id_138482995	176.278	LJHREEOPSRJBTI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003506
s1c(c2c(c1C)C=CCC=C2)C	PC-id_12332989	176.278	NUZZBHITXJWVBR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003507
s1c(c2c(c1C)C=CC=CC2)C	PC-id_12332993	176.278	QXGGJMUCSJCMPA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003508
Clc1c2-c(cc1C)ccccc2	PC-id_11073944	176.642	ZDRDPKAFSOYXLF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003509
Clc1cc(c2-c1ccccc2)C	PC-id_101768724	176.642	PVHRXEVUPWSSOE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003510
Clc1ccc2-c1ccccc2C	PC-id_102576491	176.642	HMSWADRLDMGFGN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003511
ClCc1c2-c(ccc2)cccc1	PC-id_13199308	176.642	RCMJSNOQFAICIT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003512
ClCc1cc2-c(c1)ccccc2	PC-id_58786145,SCHEMBL14590080	176.642	BSJGFUQAUZBOJH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003513
ClCc1ccc2-c(cc1)ccc2	PC-id_13545272	176.642	VYWRBGAECZCAGJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003514
C1=CC2=C(C=CS2)C(=NO)C=C1	PC-id_163759536	177.025	LWZXUDTXRSIAEP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003515
C1=CN2C=COC=C(C2=N1)C(=O)[O-]	PC-id_154189107	177.031	XMPHASWMCOOSMY-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-003516
C1=COC=CN2C1=NC(=C2)C(=O)[O-]	PC-id_154340404	177.031	HRJLIWBREFRNEA-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-003517
[B]c1nn2CC(=S)NCCc2c1	PC-id_164124967	177.053	QWQLBTYYSYAZDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003518
C1CNC=C(C2=C1C=CN2)C(=O)[O-]	PC-id_152746639	177.067	IQWAUJDHSYGHBU-UHFFFAOYSA-M	00000000100000000110000000000010000000000000000000000000	31-01-003519
C1=NC2=C(N1)C(=N)N=C(N=C2N)N	SCHEMBL5745701,PC-id_135438585,PC-id_154733839	177.076	XVKXPQNAFRQJKC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003520
CC1=CC=c2c(=CC1)oc(=O)n2C	PC-id_163863006	177.079	PEENZVHRKNKXPI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003521
CC1C(CC=CN2C1=NC=N2)C=O	PC-id_155020224	177.09	BHQAOQNYBMJGGS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003522
Cc1nn2C=CC=C(Cc2n1)CO	PC-id_163965750	177.09	SLOUYUNTWMBBJS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003523
CC1CN=CC2=NC(=C(N2C1)C)C	PC-id_153331075	177.127	PEVNJHFHNVTHFP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003524
CN1CCC2=CN(N=C2C(=C)C1)C	PC-id_165006837	177.127	ZAHJCIWLUKCOMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003525
C1=COC=Cc2c1c(n[nH]2)C(=O)N	SCHEMBL20542374,PC-id_135363543	177.16	KUYJBEUQUUQIOB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003526
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CC1=Cn2cnnc2CC(C1)(C)C	PC-id_91340879	177.246	RKLJZHPWPYXXDT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003583
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CC1C=Cc2c(C=C1)nc(s2)C	PC-id_67963106,SCHEMBL9912683	177.266	FSHGNQYTVOBJCT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003589
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CC1=CC=c2c(=CC1)sc(n2)C	PC-id_141971980	177.266	OXQKKYRLESFPRJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003591
CC1(C=Cc2c(C=C1)scn2)C	SCHEMBL18435059,PC-id_91043091	177.266	RBSYDYCNDOXABE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003592
CC1C=Cc2c(N=C1)cc(s2)C	PC-id_143309039	177.266	BKNQBVWLSZWXHP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003593
CC1C=Cc2c(N=C1)sc(c2)C	PC-id_142193113	177.266	ZJWNWSMPRFAXMX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003594
CC1C=CC=c2c(=C1)nc(s2)C	PC-id_141840667	177.266	AYFODQSZIOUHSK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003595
CC1=CCC=c2c(=C1)sc(n2)C	PC-id_141971942	177.266	OGMYPEMXUCVIQZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003596
CC1(C)C=Cc2c(C=C1)cns2	PC-id_141841979	177.266	SIAJPHBQDOMQRD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003597
CC1(C)C=Cc2c(C=C1)csn2	SCHEMBL21447795,PC-id_139569359	177.266	DBDPDEBUMAGVTA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003598
CC1(C=CC=c2cnsc2=C1)C	SCHEMBL20074261,PC-id_134439469	177.266	VAHHBCHFNGDBPL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003599
CC1C=C(C)C=c2c(=C1)cns2	PC-id_142411218	177.266	FSNYRPWMUIRHHZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003600
CC1(C)C=CC=c2c(=C1)ncs2	PC-id_141904836	177.266	DLYUBOJPVKMCQQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003601
CC1C=C(C)C=c2c(=C1)scn2	PC-id_143657117	177.266	YVJKLIBGJMBSHL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003602
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CC1(C)C=NC=c2c(=C1)ccs2	PC-id_143248532	177.266	JXGABKKGUXFVEJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003605
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CC1(N)C=CC=c2c(=C1)ccs2	PC-id_143260204	177.266	QMYSRCVDUIGFDP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003609
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[NH+]1(CCCn2c(C1)ccc2)CC=C	PC-id_40641195	177.266	CXKRLOSDJOREHY-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-003617
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[nH]1c2c(CCCCC2)cc1C(C)C	PC-id_70680080	177.286	PPFKJDPAMAZABI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003622
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CSC1=C2C=NC=CN=C2N=N1	PC-id_154385599	178.031	RYESEPXIPGIZBG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-003626
C1=CNC(=C2C(=C1)C=NO2)C(=O)O	PC-id_150508811	178.038	FSXFTSMJXAWTDF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003627
C1=COC=CN2C1=NC(=C2)C(=O)O	PC-id_153918197	178.038	HRJLIWBREFRNEA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003628
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c1coc2c1c(=O)c(ccc2O)O	PC-id_137222289	178.142	XNZWVUQGVFIFJE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003637
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OC(=O)c1ncn2c1C=COC=C2	PC-id_141409070	178.145	FTWFQYSBDCCPRC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003639
Cc1[nH]c(=O)c2c(c(=O)n1)[nH]cn2	SCHEMBL18050875,PC-id_122517676	178.148	VAZZGVJJXBMKKU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003640
C1=CN=Cc2nn(nc2N1)C(=O)N	PC-id_136456079	178.151	HDOVURZJKMMLQC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003641
O=Cc1oc2c(c1)C(=CCC=C2)F	PC-id_143954333	178.16	BWSOHSIRPZIWNH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003642
FC1(F)CC([2H])([2H])n2c(C(C1)([2H])[2H])nnn2	SCHEMBL16253584,PC-id_71467957	178.176	XSDFHVKIBQXNAK-RUKOHJPDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003643
Fc1c2-c(c(F)c1C)ccccc2	PC-id_15257561	178.178	DHBAYMLWWLGSMS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003644
CC1(C)C=Cc2c(C=C1)oc(=O)o2	PC-id_142432646	178.185	MQUMAZUFVFUIEV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003645
c12CCCCCc1noc2N=C=O	MCULE-2268507518,PC-id_83802864	178.188	ASLXUDOAVZMCAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003646
C1CN=CC(c2c1cc[nH]2)C(=O)O	PC-id_91599558	178.188	RDKNNFFHDZNYMY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003647
CC1=CC=C(Cc2c1[nH]c(=O)[nH]2)O	SCHEMBL18761370	178.188	ODJOAOZXFLYDSR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003648
CC1CC(=O)c2c(C(=O)N1)[nH]cc2	PC-id_68639083,SCHEMBL3429346	178.188	UGWNRINKBOVFSJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003649
Cc1[nH]c2c(c1)C(=O)CCNC2=O	PC-id_102158951	178.188	ZENXZXWPKYPGLT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003650
Cn1c2C(=O)NCCC(=O)c2cc1	MCULE-5565899091,EMOLS-id_76733326,PC-id_10487546,CT-id_2205383,2205383_OpenMolecule,SCHEMBL6991480,ZINC22_38949841	178.188	QCNQUCLPAAQEIX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003651
Cn1cc2c(c1)C(=O)CCNC2=O	SCHEMBL6774972,PC-id_10702457	178.188	INDBEBHTPTXJCE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003652
Cn1cc2c(n1)CC(=O)CCC2=O	SCHEMBL15277587,PC-id_89819501	178.188	IZJIICBHWPIGLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003653
CN1CCC(=O)c2c(C1=O)cc[nH]2	SCHEMBL6990574,PC-id_15521711	178.188	PNFLOSGCPODHFA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003654
CN1CCC(=O)c2c(C1=O)c[nH]c2	SCHEMBL6994521,PC-id_22011266	178.188	HZVRAPZCIHIAPD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003655
CN1CCC(=O)c2c(C1=O)[nH]cc2	PC-id_11137687,SCHEMBL6986617	178.188	GVLAPXCEGZFQBK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003656
CNC1C=C(O)C=c2c(=C1)ocn2	PC-id_143264670	178.188	ONESHYMSRVOHBD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003657
o1nc(N=C=O)c2CCCCCc12	PC-id_83914873	178.188	NXERVNDLLCPYOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003658
O=C1c2n(ccc2C(=O)NCC1)C	SCHEMBL6652434,PC-id_10678882	178.188	JGAUQTYWXRCJCH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003659
O=C1c2[nH]cc(c2C(=O)NCC1)C	PC-id_12146430,SCHEMBL6652262	178.188	RNLGGWCYQSHSBU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003660
O=C1C(C)C=Cc2c(N1C)ocn2	PC-id_142177796	178.188	HMJHCPPVIPMFQR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003661
O=C1CCCCC(=O)c2nc1c[nH]2	PC-id_54558443,SCHEMBL9066507	178.188	ZOVNTLIUTPZIQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003662
O=C1Nc2c([nH]c(c2)C=O)CCC1	PC-id_82410114	178.188	QZTJNUYOSDUDGY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003663
O=C1NCCCc2c1[nH]c(c2)C=O	PC-id_82410153	178.188	HSJFIVPUDHLSGF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003664
O=Cc1[nH]cc2c1CCCNC2=O	PC-id_96742191	178.188	KEQVKZUEJOQUKJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003665
O=Cc1[nH]cc2c1C(=O)NCCC2	PC-id_96742192	178.188	OXKQBIUDNJVOLI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003666
OC(=O)C1=CNCCc2c1[nH]cc2	PC-id_68965445,SCHEMBL4228590	178.188	IQWAUJDHSYGHBU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003667
OC(=O)c1n2c(CNC=CC2)cc1	PC-id_21054576	178.188	JZAHCKNDWROYPH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003668
OC(=O)c1nn2c(c1)CCC=CC2	PC-id_102529961	178.188	QGMYHIHFQROZCK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003669
c1cc2-c(cc(c(cc2)C#N)C#N)c1	PC-id_89977596,SCHEMBL15484269	178.189	UKVSPHKRFGOICF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003670
[C-]#[N+]c1cc2-c(ccccc2)c1[N+]#[C-]	PC-id_91022958	178.189	WZDLUKYGCWYNNX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003671
[C-]#[N+]c1ccc2-c(cc(c2)[N+]#[C-])cc1	PC-id_91176491	178.189	PNXVSUVUJBIAKO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003672
N#Cc1c2-c(cc1)c(cccc2)C#N	PC-id_12027249	178.189	YFOLAICCRSGCFS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003673
N#Cc1c2-c(cc1)ccccc2C#N	PC-id_12027251	178.189	BQBBSWDFZGJPJP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003674
N#Cc1c2-c(cc1)ccc(cc2)C#N	PC-id_12027252	178.189	LPJWEOPIRDXIKG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003675
N#Cc1c2-c(c(c1)C#N)ccccc2	PC-id_12027257,SCHEMBL819559	178.189	IXUAEWBMMPNJQO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003676
N#Cc1c2-c(cc1C#N)ccccc2	SCHEMBL819196,PC-id_54407711	178.189	LSUGBGQAPPFQQS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003677
N#Cc1c2-c(ccc2)cccc1C#N	PC-id_66809762,SCHEMBL820505	178.189	XDWHFGXPYSSKKM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003678
N#Cc1cc2-c(c1)c(C#N)cccc2	PC-id_141988739	178.189	XEFLBWNQFNEIQY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003679
N#Cc1ccc2-c(cc1[N+]#[C-])ccc2	PC-id_140696339	178.189	OMJIGADTPWSWHF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003680
N#Cc1cc(C#N)cc2-c(c1)ccc2	PC-id_121006723	178.189	BZRXMGBGOWEJRS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003681
C1CNC=C(c2c1cn[nH]2)C(=O)N	SCHEMBL19642986,PC-id_137254992	178.191	QCQGKXSMXFFFPJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003682
O1CCCCn2nc(nc12)CC#N	PC-id_84767591	178.191	WAQLMSSALMMCEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003683
O1CCCCn2nc(nc12)C[N+]#[C-]	PC-id_83482123	178.191	YIMBAAKDSXGVOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003684
O=C1c2n(CC)cnc2NC=NC1	PC-id_10797406	178.191	OTAIENJZTFIHRR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003685
O=C1c2ncn(c2NC=NC1)CC	PC-id_10607408	178.191	UOOQTDVYMSHUOC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003686
O=C1c2[nH]cnc2NC(=NC1)CC	PC-id_45120893	178.191	XVSZTZNYDVRZLF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003687
OC1=CNC(=CC)Nc2c1[nH]cn2	PC-id_54480838	178.191	XOWVXNSOKFZHHS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003688
O=C=Nc1nn2CCCCCc2n1	PC-id_83914877	178.191	GMJVBUAYAFSTQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003689
NC1=CC(C)(N)C=Nc2c1n[nH]n2	PC-id_142042109	178.194	DILVAVKVTKLFTF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003690
CC1=Cc2[nH]c(nc2C=C(C1)F)C	PC-id_145516564	178.206	CDPVJOKIXYDYCB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003691
[O-]C(=O)C1CCCCn2c1ccc2	PC-id_20483886	178.208	UTZRHJRBTYMFAB-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-003692
s1c2c(ccc(O)c(=O)c2)cc1	PC-id_21853046	178.208	BWIPYYKCCGAGGI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003693
s1c2c(cc(=O)c(O)cc2)cc1	PC-id_21853045	178.208	UVKDGHQLUOZJOW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003694
O=C1c2c([n+]([nH]c2)C)NC(=CC1)C	PC-id_51397439	178.211	SKIHKPOHBCPOBQ-UHFFFAOYSA-O	00000000100000000111000000000010000000000000000000000000	31-01-003695
CC1(CCCc2c(C1=O)cco2)C	PC-id_137479473,SCHEMBL20721152	178.228	OMKBAEMDCAKGML-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003696
o1c(c2CCCCC(=O)c2c1C)C	PC-id_53356084,SCHEMBL17895827	178.228	BUGRLTSIQNCBDJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003697
O=C1CCCCc2c1c(C)c(o2)C	SCHEMBL17895743,PC-id_121457921	178.228	IDHDGEQYFPCRQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003698
c12C(=O)CCCCc1n(nc2)CC	MCULE-5028944601,PC-id_103847240,SCHEMBL17895891,EMOLS-id_96674889	178.231	ILGGBFCGBJGVCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003699
c12NC(=O)CCCc1n(cc2C)C	MCULE-9594656885,SCHEMBL19031639,EMOLS-id_96157367	178.231	AFSWRPUFKDITML-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003700
CC1C=Cc2c(CC1(C)C)non2	PC-id_143379970	178.231	PEIFICBYKAXKQM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003701
CC1CCc2c(C(=O)C1)cnn2C	SCHEMBL17901964,PC-id_121463348	178.231	ALKCDTSTWIXQFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003702
CC1CCc2c(C(=O)C1)nc([nH]2)C	PC-id_121457931,SCHEMBL17895756	178.231	YVFRWLOXEZKCLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003703
Cc1ccc2n1[C@H](C)C(=O)NCC2	PC-id_138983906	178.231	FUAHUXQIEKIMAW-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003704
CC1NC(=O)c2n(CC1C)ccc2	EMOLS-id_96767952	178.231	OVFAZNNAQUYQOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003705
CCC1CCn2c(C(=O)N1)ccc2	EMOLS-id_96798905	178.231	IPUMCVWGGCISGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003706
CC(=C1OCCCn2c1ncc2)C	PC-id_58259652,SCHEMBL12408123	178.231	WRCXBMALWINNGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003707
C[C@H]1CCc2c(C(=O)C1)cnn2C	SCHEMBL17901904,PC-id_121463291	178.231	ALKCDTSTWIXQFR-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003708
CCn1cc2c(CCCCC2=O)n1	EMOLS-id_337432536	178.231	VMTXKAPLEYWPLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003709
CC(=O)c1cnn2CCCCCc12	EMOLS-id_324310373	178.231	KFKSOAMJKJBGTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003710
CC(=O)c1n[nH]c2c1CCCCC2	PC-id_105437571	178.231	OTWDQZQYGUDEIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003711
Cn1c2CCCCCc2nc1C=O	PC-id_99988214,MCULE-8636045526,EMOLS-id_49837924,ZINC22_217695984	178.231	LGKIAHMZOZCUKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003712
Cn1cc2c(n1)CCCCCC2=O	SCHEMBL15277612,PC-id_89819524	178.231	GNNJUOXXONJQOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003713
NC(=O)C1CCCn2c(C1)ccc2	PC-id_68852601,SCHEMBL3953359	178.231	HCEVJKSULPFSLJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003714
NC(=O)c1c[nH]c2c1CCCCC2	PC-id_140422955	178.231	SDFDKKZWRHKDIR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003715
O=C1c2c(CCN(C1)C)cn(c2)C	PC-id_15324712	178.231	JYVCRGPPDGJZOD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003716
O=C1c2c(CC(NC1)C)cn(c2)C	PC-id_83482150	178.231	QJIZOJRQKBAVKH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003717
O=C1c2c(n(cc2)C)CC(NC1)C	PC-id_83482142	178.231	KZTLHCUXZBVPJS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003718
O=C1c2c(nn(c2C)C)CCCC1	SCHEMBL10191404,PC-id_68059391	178.231	RFAPCMOTBCBWEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003719
O=C1c2n(ccc2CC(NC1)C)C	PC-id_83482143	178.231	VYQLCJOUHDFVIK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003720
O=C1Cc2c(n(nc2C)C)CCC1	SCHEMBL9535353,PC-id_20146586	178.231	BAMKZMLRSHRZIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003721
O=C1CCCCc2c1nc(n2C)C	PC-id_121457987,SCHEMBL17895819	178.231	MNRVKMPHBFLFAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003722
O=C1C(C)CCc2c(N1C)cc[nH]2	PC-id_142177728	178.231	CHBVMKJKHWTDFB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003723
O=C1CCCCc2[nH]c(nc12)CC	PC-id_10176362	178.231	KIWTWPCJBJRAMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003724
O=C1CCCCCCc2[nH]c1nc2	PC-id_141017056	178.231	VRAGPVMDUYFEJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003725
O=C1Nc2ccn(c2CCC1C)C	PC-id_145339607	178.231	YICXVJJNUMOZHZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003726
O=C1NCCc2n(C1C)c(cc2)C	PC-id_73129095	178.231	FUAHUXQIEKIMAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003727
O=C1NCCc2n([C@H]1C)c(cc2)C	PC-id_11858508	178.231	FUAHUXQIEKIMAW-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003728
O=C1NCCC(c2c1c[nH]c2)(C)C	PC-id_141918512	178.231	XTGUCCLEPHPNPY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003729
O=C1NCCCc2c1n(c(c2)C)C	PC-id_83482146	178.231	RAWVCRWCYLTWRK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003730
O=Cc1n(c2CCCCNc2c1)C	PC-id_83482151	178.231	CCCXKRPBRXGZQN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003731
O=C(c1nc2n(CCCCC2)c1)C	PC-id_82653990	178.231	BQFAAMFQOAFCOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003732
O=Cc1[nH]c2c(c1C)NCCCC2	PC-id_96629564	178.231	FMZPXJHSIBRWMX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003733
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O=C(c1nn2CCCCCc2c1)C	PC-id_82653991	178.231	PLRNPGAAQFXGOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003735
O=Cc1n(nc2c1CCCCC2)C	PC-id_83862987	178.231	LSHAAIFAFVVHOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003736
O=Cc1nn(c2CCCCCc12)C	PC-id_83863036	178.231	FAMNRTCOLQSLFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003737
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c12CC(CCCc1cn[nH]2)C(=N)N	EMOLS-id_75547550,MCULE-9222447195	178.234	MWGVFFJPVRUUOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003740
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CC(=C1CCCCn2c1nnn2)C	PC-id_58259746,SCHEMBL12408133	178.234	VCSDHWVPCKRDKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003743
C=CCN1CCCn2c(C1)nnc2	EMOLS-id_114443041	178.234	HCAZIMHRBPQQKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003744
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n12nc(cc1CCCCC2)C(=N)N	PC-id_83677862	178.234	JWTIDVXUAMPUSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003747
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n12nnnc1C=C(CC(C2)(C)C)C	PC-id_15720280,CT-id_2201965	178.234	JLRARGZFUOCWJU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003748
N=C(N)[C@H]1CCCc2c[nH]nc2C1	ZINC22_575424783	178.234	MWGVFFJPVRUUOS-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-003749
N=C(N)[C@@H]1CCCc2c[nH]nc2C1	ZINC22_575424784	178.234	MWGVFFJPVRUUOS-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003750
CC1(S)C=CC=c2c(=C1)occ2	PC-id_144790123	178.251	LUHGOUQUMQNQPW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003751
C1CCc2c(C(C1)C#N)scn2	SCHEMBL15903441,PC-id_90303350	178.254	PKBDMNNSNUVMFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003752
CC1C=Cc2c(C=C1)nc(s2)N	PC-id_143542969	178.254	CYFADZGNJJSZRX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003753
CC1C=Cc2c(C=C1)[nH]c(=S)[nH]2	PC-id_142357795	178.254	CYATWVDCKGGCQL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003754
CC1(C=Cc2c(C=C1)snn2)C	PC-id_134567714,SCHEMBL20217973	178.254	ZUJYDVIMSLNZKI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003755
CC1C=CC=c2c(=C1)nc([nH]2)S	SCHEMBL18830209	178.254	BHQNMFABCKIKKF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003756
CC1(C)C=Cc2c(C=C1)nsn2	PC-id_139471962,SCHEMBL21337965	178.254	ONIRZMSRAIOMAO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003757
CC1(C)C=Cc2c(N=C1)cns2	PC-id_144249331	178.254	IGMQTHHECQTPIN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003758
CC1(C)C=Cc2c(N=C1)ncs2	PC-id_143533234	178.254	UJVLECAJDROVOM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003759
CC1(C)C=Cc2c(N=C1)scn2	PC-id_143533166	178.254	NZTYMGLLNBMJSZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003760
CC1=CCC=C(c2c1nsn2)C	PC-id_145049465	178.254	XVGMHGKDGSAYDM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003761
CC1(C)C=CC=Cc2c1nsn2	PC-id_142051508	178.254	BRSAXTZVDAUQTA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003762
CC1=CC(=NNc2c1ccs2)C	PC-id_136229944	178.254	HHMBDFDBNWDPTC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003763
CC1=CN=c2c(=CC1)nc(s2)C	PC-id_143556045	178.254	HRCXCTBXPNGKTH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003764
CC1C=Nc2c(C=N1)sc(c2)C	PC-id_145372069	178.254	TWKOGQWMETYNAM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003765
CC1(C)N=CN=c2c(=C1)ccs2	PC-id_142045386	178.254	CEJUNDSHIWJIAO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003766
CC1(C)N=CN=c2c(=C1)scc2	PC-id_142045396	178.254	QDVQFSJKRCQSRH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003767
CC1(S)C=c2cc[nH]c2=CN=C1	PC-id_145598073	178.254	BIOOKPHXCNZKLM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003768
CC1(S)C=CC=c2c(=C1)nc[nH]2	PC-id_144790114	178.254	JSUVVLYJTYKGDK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003769
CC1(S)C=CC=c2c(=C1)[nH]nc2	PC-id_144790115	178.254	ADUGASFULKOWGN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003770
CC1(S)C=CN=c2c(=C1)[nH]cc2	PC-id_144883647	178.254	AMCWVDOECUHMNH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003771
CC1(S)C=NC=c2c(=C1)[nH]cc2	PC-id_145598056	178.254	JDUFDCZMLLCKKI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003772
CCC1=CCc2c(C=C1)nsn2	PC-id_143502350	178.254	BCSFSIOZOSLATO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003773
Cn1c(=S)[nH]c2=CC=CCC=c12	PC-id_143326538	178.254	YGMKJCAETFGFOB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003774
CNc1nc2c(s1)CC=CC=C2	PC-id_143224703	178.254	YNHHRQPGFKKKHJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003775
s1c2=NNC(=CC(=c2cc1)C)C	PC-id_12630158	178.254	GZMLUNKAHNNFAW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003776
s1cc2N=C(CC(=Nc2c1)C)C	PC-id_71430467	178.254	LSQJPHAIZMBLTI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003777
CC1(CCCc2ccc(o2)CC1)C	SCHEMBL20690829,PC-id_137451977	178.271	ZLGSSDIXYSGBCT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003778
o1c2C(CC(CCc2cc1)(C)C)C	PC-id_11008501	178.271	YSFCEJDVAIIDRP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003779
o1c2c(CCCCC2)cc1CCC	PC-id_13128880	178.271	ZTKBGASHOATDRQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003780
o1c2CCCCCCCCc1cc2	PC-id_53440372	178.271	KYZKWIKPIMXSTE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003781
o1c2CCCCCCCCc2cc1	PC-id_13414163	178.271	YICTZUWRIRXIHF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003782
o1c(c2CCCCCc2c1)CCC	PC-id_13780477	178.271	WZTXIPARNZFVSP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003783
C1CCCCc2c(CCC1)[nH]cn2	PC-id_121221906	178.274	MPVXZWRDBFBNRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003784
C1CCCCc2n(CCC1)ncc2	PC-id_89276684,SCHEMBL14218587	178.274	LKNAMNMQGOXBFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003785
Cc1c2CCCCCCCn2nc1	PC-id_90980500	178.274	GUWIJRLYMGJIFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003786
Cc1cnn2c1CCCC(C2)(C)C	PC-id_142233364	178.274	ABPAWKCOVYFBLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003787
Cc1nc2n(c1)CCC(CC2)(C)C	PC-id_143632354	178.274	OIUZITDOCKJBND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003788
Cc1nc2n(c1C)CCCCCC2	SCHEMBL19006734	178.274	KCWARQPEHXOPIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003789
CC(c1n[nH]c2c1CCCCC2)C	PC-id_91064811,SCHEMBL17229753	178.274	AEFOHXRUDXDPPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003790
CCCc1cnn2c1CCCCC2	PC-id_68402351,SCHEMBL12844538	178.274	AQTANYZXKNAGDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003791
CCCc1n[nH]c2c1CCCCC2	SCHEMBL20631708,PC-id_137400021	178.274	FXFMXXWIZMDJTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003792
CCn1cc2c(c1)CCCCC2N	EMOLS-id_96642220,PC-id_83208518	178.274	YNGHBNCGWFPEPI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003793
CC(N1CCc2c(CC1)cc[nH]2)C	PC-id_59868001,SCHEMBL13999439	178.274	WYOSLPOMEPKJJP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003794
CC(N1CCCn2c(C1)ccc2)C	PC-id_140700445	178.274	JNFVCCGWUAANPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003795
CCNC1CCCCc2c1c[nH]c2	PC-id_83213243,EMOLS-id_96642232	178.274	GRBGYYWXBWGWIS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003796
Cn1c2c(CCCCCCC2)cn1	PC-id_135266946,SCHEMBL20430016	178.274	FNSVNGGGUVPJDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003797
CNC1CCCCc2c1cn(c2)C	PC-id_83208348,EMOLS-id_96642229	178.274	OHNIBWWDNBOVCS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003798
n12c(CCCCC1)cc(c2)CCN	PC-id_82654014	178.274	CDODJSNOCDRSGY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003799
n12c(CCCCC1)cc(c2)CNC	PC-id_82654007	178.274	VULWIKGLMSHBSV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003800
n12c(CCCCC1)cc(c2)C(N)C	PC-id_82654013	178.274	ZNSXXOBPNODQCU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003801
n12c(C(CCCC1)CN)cc(c2)C	PC-id_82654012	178.274	LPYMIXPSDNYPAJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003802
n12CCCCCc1ncc2C(C)C	PC-id_83814371	178.274	WTFVBVCYPOPFLU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003803
N1CC(c2c(n(cc2)C)CC1)(C)C	PC-id_83482172	178.274	YMVGEALVZHLPMY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003804
n1(nc2c(CCCCC2)c1)C(C)C	PC-id_59050178	178.274	RMZFUVJWOSOWNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003805
[nH]1c2c(CCCCC2)cc1CCN	PC-id_84767713	178.274	QFXZCLRQRPBCOM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003806
[nH]1c2c(CCNCC2)cc1C(C)C	PC-id_84656698	178.274	ORYCGMTUBPTWHX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003807
[nH]1ncc2CCCCCCCCc12	PC-id_36705	178.274	PZXPQVGDXXZALA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003808
s1c2-c(cc1=S)ccccc2	PC-id_85903463	178.274	BRWRZSFWKINHQD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003809
CC1(CCc2c(C=C1)scc2)C	PC-id_89012184,SCHEMBL13074350	178.294	LXLVGRXGUWGEKU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003810
s1c2CCC(=CCc2cc1C)C	PC-id_44614249	178.294	UWXPAYLETSFAJV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003811
Clc1c2-c(c(O)cc2)cccc1	PC-id_85785828	178.615	ITWFCTCKDYOWJD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003812
Clc1ccc2-c(ccc2O)cc1	PC-id_85785830	178.615	LLXXDCIRIFKUTB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003813
c1cc2c(ccc1=N)[nH]c(c2)Cl	PC-id_137180920	178.618	JOYUBJMQMNCFFO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003814
Cc1ccnc2-c(ccn2)c1Cl	PC-id_136487024	178.618	XXZAZZKYPFJLHO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-003815
C1CN2C(=NC=N2)C=CN1C(=O)[O-]	PC-id_153969683	179.057	KFSRRIMBVUWOBI-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-003816
C1C=CN2C(=CC=N2)CN1C(=O)O	PC-id_153324714	179.069	NZKCSZVWEYMHMO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003817
C1C=CN(CC2=CN=CN21)C(=O)O	PC-id_153764600	179.069	JFZVILOOTVDDCS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003818
C1C/C(=NO)/C(=O)C2=NC=CN2C1	PC-id_152776218	179.069	SRHSIMDTIPEVTF-UXBLZVDNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003819
C1CC(C2=NN=NN2C=C1)C(=O)N	PC-id_155090229	179.081	YRBKVUJFJAKRKZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003820
C1CNCC(C2=C1C=CN2)C(=O)[O-]	PC-id_152746633	179.083	UOPPAVXYNSCRJN-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-003821
CCc1nc2c(s1)CCBCC2	SCHEMBL12797411	179.09	MBOUXKICUUBKOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003822
C1CC2=C(CCC1C(=O)N)NN=C2	PC-id_153994953	179.106	JJUUBRCXEFVYNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003823
C1CNC(C2=CC=CN2C1)C(=O)N	PC-id_153791223	179.106	HFUZWQPMGNFAGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003824
CCC1=NN2CC(=O)NCCC2=C1	PC-id_153397881	179.106	JLWJIXRKWQYCFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003825
CCN1CCCN2C(=CC=N2)C1=O	PC-id_155137457	179.106	VFPDLUMLIDFKBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003826
CN1CCC2=C(C(=O)C1)N(N=C2)C	PC-id_165062591	179.106	YAKCZWQIKVBJTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003827
CN1CCC2=CN(N=C2C(=O)C1)C	PC-id_165006835	179.106	FZKVBZFULMSHGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003828
c1coc2c1C=C(ON=C2)C(=O)O	PC-id_91809553	179.13	UOGIVCIYWZMVLA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003829
O=C1C=CC(=O)Oc2n(O1)ccc2	PC-id_140360411	179.13	SVNGJONSSKEOSZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003830
c1cc2no[n+](c2cc/c/1=NO)[O-]	PC-id_136208153	179.133	UHDFQTHWABUFTH-YVMONPNESA-N	00000000100000000111000000000010000000000000000000000000	31-01-003831
OC(=O)C1=NOC=Cn2c1ccn2	PC-id_141759905	179.133	SDYXNCHLUJIXIJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003832
N=c1[nH]c(=O)c2c(c(=O)[nH]1)nc[nH]2	SCHEMBL5747328,PC-id_503440	179.136	OBUMKYUZIHSFTQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003833
O=C1NN=CC(=O)c2c(N1)nc[nH]2	PC-id_101704923	179.136	DEHLSMVHEVWZGC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003834
O=c1nnc(=O)[nH]c2ncn(c12)C	PC-id_77397765	179.136	SZBDSXOISLMAKY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003835
C1CC2=C(CN(C1)CCN)C=CN2	PC-id_154134768	179.142	SQLOOLYXMGMVIQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003836
CC1(CNCCC2=CN(N=C21)C)C	PC-id_165006838	179.142	KRPLAHWLWLWIIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003837
CC1=NN(C2=C1CCN(CC2)C)C	PC-id_164967232	179.142	FLWCYPDZIJHOPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003838
CCC1CCCCC2=C1N=NN2C	PC-id_153369902	179.142	BVFSMMMPLIXAGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003839
CPC1C=CC=c2c(=C1)nco2	PC-id_145130252	179.156	BQBIMWUXDPTIHS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003840
C1C=CN=C(c2c1cc[nH]2)NP	SCHEMBL14107041,PC-id_89248589	179.159	PVSOFWYFRDGWTN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-003841
Pn1nc2c(c1)C(=C)C=CCN2	PC-id_144315334	179.159	DPQRTALYFBZLJV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003842
o1c2c(CCCNC2=O)cc1C=O	PC-id_82409777	179.173	KOACLDKVJLNFIA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003843
o1c(c2c(CCCNC2=O)c1)C=O	PC-id_82600006	179.173	CCMAULNSCWXMPA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003844
o1c(c2CCCNC(=O)c2c1)C=O	PC-id_82600005	179.173	VWZIWJCNSCFFPP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003845
O1CCc2[nH]c(cc2C(=O)C1)C=O	PC-id_82409778	179.173	VGZFILKNPCUQNL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003846
C1CC=Cc2cc(nn2C1)[N+](=O)[O-]	SCHEMBL20150221,PC-id_134507940	179.176	LFSAMEPPMFDTBQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003847
C1CC(C(=O)c2nccn2C1)N=O	PC-id_91179048	179.176	VBNAWZXDPXQDCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003848
C1CCNC(=O)c2n1nc(c2)C=O	PC-id_89860214,SCHEMBL15332872	179.176	GMCJVQUSSCKHSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003849
C1CNC=C(c2c1cn[nH]2)C(=O)O	PC-id_137254999,SCHEMBL19643622	179.176	CAQOLVSSQKNVLV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003850
C1CNC(=O)c2c(/C/1=N/O)cc[nH]2	PC-id_136217482	179.176	DJDZZCQLICINQP-IZZDOVSWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003851
C1COCCc2c1c(nn2O)C#N	PC-id_137400019,SCHEMBL20631706	179.176	NFELPELXOKPDJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003852
Cc1c2CC(=O)NC=Nn2cc1O	PC-id_143164648	179.176	HQSRERCXNJUFGT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003853
C=C1NCc2c(C(=O)N1C)cno2	PC-id_59502228,SCHEMBL12260103	179.176	DYNVVBYNDYSNPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003854
O1CCCCn2c1nc(N=C=O)c2	PC-id_83914906	179.176	KYSQBQJBUDDQGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003855
O1CCCCn2nc(N=C=O)cc12	PC-id_83914907	179.176	SCOFTMQIGZDIHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003856
O=C1c2n(CCCC1=NO)ccn2	PC-id_76835865	179.176	SRHSIMDTIPEVTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003857
O=C1c2n(CCC/C/1=N/O)ccn2	SCHEMBL12809193,PC-id_58603210	179.176	SRHSIMDTIPEVTF-POHAHGRESA-N	00000000100000000101000000000010000000000000000000000000	31-01-003858
[O-][N+](=O)C1Cc2c([nH]nc2)C=CC1	PC-id_68390877,SCHEMBL12825751	179.176	FYZHZHQMGDTIRE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003859
CC1=CC(=O)Nn2c(nnc2N1)C	PC-id_137219425	179.179	HBMUHTMXYDODDF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003860
CC1C(=Nn2cnnc2NC1=O)C	PC-id_135697353	179.179	QCTAFLGFZJDRNN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003861
CC1=Nn2c(nnc2NC(=O)C1)C	PC-id_135590628	179.179	ZAHDYJFBJQPZIX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-003862
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c12CC(CCCc1cno2)C(=N)N	MCULE-1459473260,EMOLS-id_75547966	179.219	VSSNJDKELWFVBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003896
c12CCN(CCc1n[nH]c2C=O)C	MCULE-8785171880,PC-id_112711164	179.219	QRQNOHLXDPOUCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003897
Cc1c2c(CCCNC2=O)nn1C	EMOLS-id_337732988	179.219	BAKYGXIBKYBYPX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003898
CC1(Cc2c(cn[nH]2)C(=O)NC1)C	MCULE-7954476467,ZINC22_536952230,EMOLS-id_106498895	179.219	OWGZQLBPFZABQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003899
CC1(C)CNC(=O)c2nc[nH]c2C1	MCULE-3924641120,EMOLS-id_178072970	179.219	HIYPGLOIGMKOTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003900
CC1C(=O)NCCc2c1nc([nH]2)C	PC-id_59488622,SCHEMBL7597486	179.219	CUJWMYSEHVADQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003901
Cc1nn2c(c1)C(=O)N(CCC2)C	PC-id_141914422	179.219	PKCWOWGKCADXAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003902
CCc1c2CCC(=O)NCn2cn1	SCHEMBL14048099,PC-id_89233294	179.219	GKKBUMFNTAMZPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003903
CCc1c2CNC(=O)CCn2cn1	SCHEMBL14048101,PC-id_89233296	179.219	GRGJFLDHWDUBFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003904
CCc1nc2c([nH]1)CCCNC2=O	SCHEMBL17269709,PC-id_118521474	179.219	XQUFOUCPKKSHID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003905
CC(=C1OCCCn2c1ncn2)C	SCHEMBL12408125,PC-id_58259718	179.219	WNKWSXJCSFVDPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003906
CC(=C1OCCCn2c1nnc2)C	SCHEMBL12408132,PC-id_58259733	179.219	FAYCEACBHOFKCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003907
CCn1nc2c(n1)CCCCC2=O	SCHEMBL17895848,PC-id_121458016	179.219	DFTREBPJGCQAFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003908
CC(=O)N1CCCc2c(C1)c[nH]n2	MCULE-6003710374	179.219	JWVIOHOZLCRAQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003909
Cn1cc2c(n1)CCCC(=O)N2C	SCHEMBL20262345,PC-id_134607463	179.219	BCFLPUNSBUCZLU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003910
CN1C(=O)CCCn2c1cc(n2)C	SCHEMBL18366163	179.219	HDSVJBALTAGFSX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003911
CNc1cc2c([nH]1)CCCNC2=O	PC-id_145632225	179.219	QUOMRYAPMQIWLA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003912
CNC1CCc2n(NC1=O)ccc2	PC-id_145339585	179.219	UHKWJLVDMAGWNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003913
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NCc1cc2c([nH]1)CCCC(=O)N2	PC-id_96743129	179.219	NIFIYSYZGRDCEG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003915
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NC(=O)c1ccc2n1CCCNC2	SCHEMBL1938851,PC-id_67218579	179.219	UERAUKQJMDAHHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003918
NC(=O)c1cn2c(c1)CCCCN2	SCHEMBL1938134,PC-id_67218296	179.219	KULZZRPRKWYROS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003919
NC(=O)c1cn2c(c1)CNCCC2	PC-id_67440256,SCHEMBL2528702	179.219	OHBGTJGBOXGIKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003920
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CC(N1CCCc2c(C1)cco2)C	EMOLS-id_102606949	179.259	FWUHOWLCFBDATE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003976
o1c2c(CCCCC2)cc1CCN	PC-id_82600288	179.259	AMMYYNVPSROVFG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003977
o1c2c(CCCCC2)c(CCN)c1	PC-id_83482270	179.259	DFOGGXHLFOZOKV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003978
o1c2C(C(C)C)CCNCc2cc1	PC-id_83683482	179.259	RJSABFFOSSHSOQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003979
o1c2c(C(NCCC2)C(C)C)cc1	PC-id_83683483	179.259	YGLCMMMYWVKUGE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003980
OCCC1CCCCn2c1ccc2	PC-id_76023092	179.259	LEGOGWMPXDPFOV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003981
OCCc1cn2c(CCCCC2)c1	PC-id_83674601	179.259	YTDKXLQLVXVNCS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003982
OCC[C@H]1CCCCn2c1ccc2	PC-id_53360446	179.259	LEGOGWMPXDPFOV-SNVBAGLBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-003983
c12CC(CCCc1cnn2C)CN	EMOLS-id_75547644,MCULE-7665171132	179.262	IMBRBCJHQUAGEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003984
c12CC(CCCc1cnn2CC)N	EMOLS-id_75547726,MCULE-7123878379	179.262	NSMPRIFZKFDABQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003985
c12C(CCCCc1n(nc2)CC)N	PC-id_107384388,MCULE-6901875874,EMOLS-id_96605990	179.262	ARKMBTRSQOHJRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003986
c12CC(C)(C)CNCc1cnn2C	ZINC22_536948710,EMOLS-id_106489294,MCULE-9349274174	179.262	GJSDCRGCOQJFRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003987
C1CCCCc2c(CCC1)[nH]nn2	PC-id_54014817,SCHEMBL8012316	179.262	KUWWZONNTPHMOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003988
CC1CCCc2c(CC1)n(C)nn2	PC-id_144787975	179.262	ACMGAMRFHFXVQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003989
CC1CCCc2c(CC1)nnn2C	PC-id_118697215,SCHEMBL17481275	179.262	QJGLEWWACPBTFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003990
CC1CC(C)Cc2c(C1)n(C)nn2	SCHEMBL19655579	179.262	BWRCQXKUJFNQTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003991
CC1CCCCc2c(C1)nnn2C	PC-id_118697216,SCHEMBL17481276	179.262	AEMMGUKWYRZRPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003992
CC1CCCCCc2c1nnn2C	SCHEMBL17481273,PC-id_118697213	179.262	WDEHLVRRIJTERB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003993
CC1(C)CCCCCc2c1nn[nH]2	SCHEMBL19259057	179.262	MXOIBWRASAFFMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003994
CC1CCn2c(C(C1)(C)C)nnc2	PC-id_68186931,SCHEMBL11983344	179.262	HWBGWLUPEHYLAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003995
Cc1cn2CCCNC(C)(C)c2n1	MCULE-3606877593,EMOLS-id_208139442	179.262	RDFJLNTUCMZPJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003996
Cc1cn2CCNC(Cc2n1)(C)C	PC-id_90882667	179.262	PIOXAKCQXUJXGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003997
CC(C1CCCCc2n1ncn2)C	PC-id_134492261,SCHEMBL20132558	179.262	GPHFHLXFOKUFMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003998
CC(C1CCn2c(CC1)ncn2)C	SCHEMBL17132536,PC-id_118410741	179.262	QCLMZMYFVQWKDK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-003999
CCc1cn2CCCNC(C)c2n1	EMOLS-id_208139568,MCULE-2346463884	179.262	CDOSHFLTFHZUFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004000
CCc1cn2CCCN[C@H](C)c2n1	EMOLS-id_208139631,MCULE-8915399311	179.262	CDOSHFLTFHZUFN-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004001
CCc1cn2CCCN[C@@H](C)c2n1	MCULE-2995244502,EMOLS-id_208139601	179.262	CDOSHFLTFHZUFN-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004002
CCc1nc2c([nH]1)CCN(CC2)C	SCHEMBL12989184,PC-id_59613186	179.262	JTKXIWHTYCAFCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004003
CCC1NCCCn2cc(C)nc12	EMOLS-id_208139433,MCULE-9263954681	179.262	RIQZIJHNZFAHSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004004
CC(C1NCCn2c(C1)ccn2)C	SCHEMBL21267634,PC-id_139410230	179.262	CGPZGWOPNKDSLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004005
CCc1nn(c2c1CNCCC2)C	PC-id_138592655,SCHEMBL20952911	179.262	RTVGTGZALVYZMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004006
CCc1nnc2n1CCCCCC2	SCHEMBL14048244,PC-id_89233371	179.262	PUFNPMJLNRVDMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004007
CC(c1n[nH]c2c1CNCCC2)C	SCHEMBL16127994,PC-id_83679457	179.262	RDDDIIJIDYJXTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004008
CCc1n[nH]c2c1CN(C)CCC2	SCHEMBL20952906	179.262	CLFWIKYQSSWDPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004009
CC(C)c1cc2CNCCCn2n1	EMOLS-id_317749483,PC-id_83875292	179.262	WIONZCYSONWQBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004010
CC(C)c1cnc2n1CCCCN2	PC-id_136510734	179.262	PPIFZLZPZQJTJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004011
CCCc1nnc2CCCCCn12	EMOLS-id_324798731,MCULE-8195368484	179.262	WVWOTFPEJMXGOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004012
CC(C)c1nnc2CCCCCn12	SCHEMBL12427780,PC-id_58783807,MCULE-9617508560,EMOLS-id_114450083	179.262	QWTWETWTAHXQRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004013
CC[C@H]1CCCn2c(C1)cc(n2)N	SCHEMBL20461089,PC-id_135294555	179.262	YVFPIQFFVDZCDC-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004014
CC[C@@H]1NCCc2c(C1)nc([nH]2)C	SCHEMBL18408191	179.262	ZYUPLWGTIPGYRY-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004015
CC[C@@H]1NCCCn2cc(C)nc12	EMOLS-id_208139478,MCULE-7789154254	179.262	RIQZIJHNZFAHSW-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-004016
CC[C@H]1NCCCn2cc(C)nc12	MCULE-9472230107,EMOLS-id_208139493	179.262	RIQZIJHNZFAHSW-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004017
CCCn1cc2c(n1)CCNCC2	PC-id_141193708	179.262	KMNOOIFMGBJGQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004018
C[C@@H](N)c1cnn2CCCCCc12	EMOLS-id_324309861	179.262	LURATKULSOTGQR-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004019
CCn1c2c(CCCCCC2)nn1	PC-id_89578398,SCHEMBL14963623	179.262	IQAMOZNCDBJGOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004020
CC(N1CCc2c(CC1)cn[nH]2)C	SCHEMBL12120610,PC-id_58499242	179.262	QZFWFYFFTNKHRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004021
CC(N1CCc2c(CC1)nc[nH]2)C	SCHEMBL13999400,PC-id_59867976	179.262	ISBSIJBOEDFONY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004022
CCN1CCCc2c(C1)c(C)[nH]n2	PC-id_118491640,SCHEMBL17232656	179.262	ZAQNZXGEYMZYBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004023
CC(N1CCCn2c(C1)ccn2)C	PC-id_140700463	179.262	PIFLEIDLLNLWJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004024
CCN1CCCn2c(C1)cc(n2)C	PC-id_144656785	179.262	HPCVHKYBUVENIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004025
CC(N1CCCn2c(C1)cnc2)C	PC-id_121367713,SCHEMBL17788531	179.262	WHTMBGYGMWCKOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004026
CC(N1CCCn2c(C1)ncc2)C	PC-id_57531010,SCHEMBL13937969	179.262	PXYJSCPWIWWNNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004027
CC(N1CCn2c(CC1)ncc2)C	PC-id_140700417	179.262	PHKMGJIYFUBOLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004028
CCn1cnc2c1CCN(CC2)C	SCHEMBL12989985,PC-id_59613184	179.262	YIDIPFICECINLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004029
CCn1ncc2c1C[C@H](N)CCC2	ZINC22_575424805	179.262	NSMPRIFZKFDABQ-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004030
CCn1ncc2c1C[C@@H](N)CCC2	ZINC22_575424806	179.262	NSMPRIFZKFDABQ-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-004031
CCNC1CCCCc2c1cn[nH]2	PC-id_107384294,EMOLS-id_96605966	179.262	SKFAQJCBNSXCHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004032
CCNc1[nH]nc2c1CCCCC2	PC-id_63047612,EMOLS-id_39559862	179.262	NDAWUCHZQCMXSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004033
CN1Cc2cncn2CCC1(C)C	SCHEMBL18947726	179.262	QEPQPMWNEIJPEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004034
CN1CCCc2c(C1)c(C)nn2C	SCHEMBL17469553,PC-id_118687434	179.262	MKHGHFLXUNTRHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004035
CN1CCCCn2c(C1)cnc2C	PC-id_143390357	179.262	KDAUWEIWTQGBAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004036
Cn1nc2c(n1)CCCCCCC2	SCHEMBL19192878	179.262	PGDKRQXODNGBHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004037
Cn1ncc2c1CC(C)(C)CCN2	SCHEMBL5461638,PC-id_23120088	179.262	BYCUHIUBQWYEKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004038
Cn1ncc2c1CCC(CN2)(C)C	PC-id_144407230	179.262	JJFICKBTTJEAFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004039
Cn1ncc2c1C[C@H](CN)CCC2	ZINC22_575423970	179.262	IMBRBCJHQUAGEZ-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004040
Cn1ncc2c1C[C@@H](CN)CCC2	ZINC22_575423971	179.262	IMBRBCJHQUAGEZ-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004041
CNC1CCCCc2c1cnn2C	PC-id_107384258,EMOLS-id_96605960	179.262	OGZHLEHEFQDMGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004042
CN(C1CCCCn2c1ncc2)C	EMOLS-id_114449848	179.262	QFVSUKZFWBMLKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004043
CN(C1CCn2c(CC1)ncc2)C	EMOLS-id_114449761	179.262	WFQXYIIUTNJIEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004044
CNc1[nH]nc2c1CCCCC2C	MCULE-6161438831	179.262	IHMVJPQOGIYPRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004045
CNc1[nH]nc2c1CCCCCC2	PC-id_63048993,EMOLS-id_39559660	179.262	VEKBHUMJPXXCCY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004046
CNCc1nc2c([nH]1)CCCCC2	PC-id_63927587,EMOLS-id_40130447	179.262	PDXLFOGIQWQIEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004047
CNCc1n[nH]c2c1CCCCC2	CHEMBL4546352,EMOLS-id_114449892,ZINC22_19088479,PC-id_17998749,MCULE-2586919766,EMOLS-id_3725334	179.262	SFPCZJNCDYVBQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004048
n12CCCCCc1ncc2CCN	PC-id_82600400	179.262	GFYWLFVFQXJHMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004049
n12CCCCCc1nc(c2)CCN	PC-id_82654227	179.262	PNAATMPNAIOSMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004050
n12CCCCCc1nc(c2)CNC	PC-id_82654169	179.262	PANXNZALDXYTRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004051
n12CCCCCc1nc(c2)C(N)C	PC-id_82654222	179.262	ZNMYDIAPTPXZSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004052
n12CCN(CCc1nc(c2C)C)C	PC-id_59442886	179.262	UCSAXYFGMUHPJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004053
n12nc(cc1CCCCC2)CCN	PC-id_82654228	179.262	XKAOMLIKFSMVOV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004054
n12nc(cc1CCCCC2)CNC	PC-id_82654170	179.262	KVEQKXDXHXOJJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004055
n12nc(cc1CCCCC2)C(N)C	PC-id_82654223	179.262	ICJNGERKKNHRHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004056
n12nc(C(C)C)cc1CCNCC2	PC-id_83875293	179.262	NEZSXFZZKRUKKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004057
n1(c2CCNCCc2nc1)C(C)C	PC-id_83864772	179.262	FFERNHMLTKFQAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004058
N1c2c([nH]nc2C(C)C)CCCC1	PC-id_83679005	179.262	QGSWOFDCMRRSMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004059
N1CCc2c([nH]nc2C(C)C)CC1	PC-id_84657182	179.262	YKSWQRPMHWRYLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004060
N1(CCc2[nH]c(cc2CC1)CN)C	PC-id_84768005	179.262	RROORQBQTGUOIY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004061
n1(nc2c(CCCCC2)c1CN)C	PC-id_83862834	179.262	FYMPAIQUSVBVNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004062
n1(nc2c(CCCCC2)c1NC)C	PC-id_83862826	179.262	MWGURERCHLJEJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004063
n1(nc2c(CCNCC2)c1)C(C)C	PC-id_83863182	179.262	GXCVJZQDHOTPGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004064
NCc1[nH]c2c(n1)CCCCCC2	PC-id_63927384,EMOLS-id_40130383	179.262	YJJFQQONCYFLMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004065
[nH]1c2c(CCNCC2)cc1CCN	PC-id_84768004	179.262	LHDGUJMBPWPXKV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004066
[nH]1c2c(nc1C(C)C)CCCNC2	PC-id_83670457	179.262	AIAFTJXYODUMJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004067
[nH]1c2c(nc1C(C)C)CCNCC2	PC-id_83864765	179.262	OINYGIMGGUJCFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004068
[nH]1nc(c2CCCCCc12)CCN	PC-id_82409366	179.262	ITCFZLNMCHYYBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004069
[nH]1nc(c2CCCCCc12)[C@@H](N)C	PC-id_82409362	179.262	DSJSQFYRHDTALD-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004070
[nH]1nc(c2CCCCCc12)C(N)C	PC-id_83846438	179.262	DSJSQFYRHDTALD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004071
S=c1nc2-c(s1)ccccc2	PC-id_101443249	179.262	VPTUSUSFYLYCRV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-004072
CC1=Cc2sccc2N(CC1)C	SCHEMBL19454613	179.282	QAGMSELQERXODG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004073
CCc1nc2c(s1)CCC=CC2	PC-id_143108349	179.282	GAJZQFQXADJSON-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004074
CCC1=NCCCc2c1ccs2	PC-id_143740732	179.282	QCJBWTGIHSWIHQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004075
SC1CC=c2c(=CC1)[nH]cc2C	PC-id_142009985	179.282	KRGZKAXBLJIWNI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004076
c1cc2c(ccc1=N)nc([nH]2)Cl	PC-id_137180982	179.606	KALNCBLSQOMNLT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004077
ClC1=CCC=c2c(=C1)[nH]c(c2)C	PC-id_144936101	179.646	KUBBXLIKZQNZNB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004078
C1=C2C(=CC(=S)S2)C=NN=C1	PC-id_153894268	179.982	XQPIPZOTFKBGJI-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-004079
C1=CSC2=C1NC(=O)C=NC2=O	PC-id_153681652	179.999	TYULYXJPWNARRE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004080
C1=CN(N=C2C=CSC2=C1)NN	PC-id_153881320	180.047	BWQYVHZSYJNLNK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004081
CC1C=CC2=C(NC(=S)N2)N=N1	PC-id_153336340	180.047	LIFYPSUIYJHOAO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004082
C1CN2C(=NC=N2)C=CN1C(=O)O	PC-id_153969684	180.065	KFSRRIMBVUWOBI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004083
Cc1noc2c1C(=O)N(NC=N2)C	PC-id_163594476	180.065	GSFOTBQPRVTJAA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004084
C1CN(CCC2=C1C=CO2)C(=O)[O-]	PC-id_153800392	180.067	XCBXFXCZVPCRBE-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-004085
CCC1=CC2=C(S1)NCCN=C2	PC-id_154376726	180.072	HVXSAGUVUZSUNO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004086
CCN1CCN=CC2=C1SC=C2	PC-id_154209506	180.072	BTWBVYOCEIRYFN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004087
C1CN(CC2=CC=NN2C1)C(=O)[O-]	PC-id_154072538	180.078	NZWIRPHQRYRFOO-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-004088
C1CN(CCC2=C1NC=N2)C(=O)[O-]	PC-id_163870844	180.078	PKQOHWKEUHQPTF-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-004089
CN1C(CCN2C=CC=C2C1=O)O	PC-id_152548574	180.09	YMZRIYAVCQYBET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004090
c1ccccc2-c(ccc2)cccc1	PC-id_163645817	180.094	IICXULNOJNZQOV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004091
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C1CNCC2=C(N=CN2C1)C(=O)N	PC-id_154058884	180.101	ZOPNTZCGKHWJSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004093
CN1CCC2=CC(=NN2CC1=O)N	EMOLS-id_337852262,PC-id_146774438	180.101	RSLIYPGNLSSGGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004094
O=C1C=CC(=O)Oc2n(O1)ccn2	PC-id_140347551	180.118	YIOLHRZQUDQPTQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004095
CC1(CCC2=NC(=CN2CC1)N)N	PC-id_146873825	180.137	SOVIUVWQOZBDDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004096
CC1=NN2CCC(CN(C2=C1)C)N	PC-id_154021399	180.137	OBYGADAQVDGBDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004097
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o1c2c(OC=CC(OC=C2)O)cc1	PC-id_86161464	180.157	MYVTXEUFHHDKGQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004099
O1CCc2c(C(=O)C1)coc2C=O	PC-id_82409249	180.157	WQZQGQACQCRSDX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004100
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Cn1c2c(cn1)C(=O)NCC(=O)N2	PC-id_136966001	180.164	ILUVBIJXNADMMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004102
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O=C1CN(C)c2c(C(=O)N1)[nH]cn2	SCHEMBL9881675,PC-id_20872211	180.164	OWSJEFGYPFRKKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004106
O=C1CNC(=O)c2c(N1C)nc[nH]2	PC-id_14860059,SCHEMBL9881673	180.164	JIGPAFCOQQTZTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004107
O=C1N(Cc2[nH]cnc2C(=O)N1)C	SCHEMBL9881681,PC-id_20872116	180.164	CHVTZFDMAWAFPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004108
O=C1N(CC(=O)c2n(nnc2)C1)C	PC-id_82409206	180.164	AZRYLNCCPGPBPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004109
O=C1NCC(=O)Nc2ncn(c12)C	PC-id_14739439	180.164	AOJKSEXXSIOMEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004110
O=C1NCC(=O)Nc2n(cnc12)C	PC-id_14914646	180.164	RYZZNVGPCPOMED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004111
CC1=Nn2c(N)nnc2NC(=C1)O	ZINC22_5296713,MCULE-6630944660,TIMTEC224253	180.167	IRYBNIZMHFJBBP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004112
o1nc(c2CCCCCc12)C(=O)[O-]	PC-id_7017672	180.181	IOXIIOUTRNRNQM-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-004113
[O-]C(=O)c1n2CCCCCc2nn1	PC-id_28063107	180.184	FLFCMTLBRUFPTL-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-004114
c1(C(=O)O)occ2CCCCCc12	PC-id_75481475,MCULE-7907641866,EMOLS-id_48597191	180.2	DXQHKTBCLVXEQB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004115
o1c2CCCCCc2c(c1)C(=O)O	PC-id_82409160	180.2	AAMWMZBIMBWXPQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004116
o1c2CCCCCc2cc1C(=O)O	PC-id_84013963	180.2	AGGGZIZJDAHFEB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004117
O1CC(c2c(oc(c2)C=O)CC1)C	PC-id_82409169	180.2	HOAADUJHNSGCDC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004118
OC(=O)C1CCCc2occc2C1	MCULE-9205899394,EMOLS-id_276897533	180.2	JUIXBBCYCUAVIA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004119
C#CC(=O)c1cc2-c(c1)ccccc2	PC-id_122398530	180.202	IYGJSXYELUXSKU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004120
O=Cc1c2-c(c(c1)C#C)ccccc2	PC-id_46185810	180.202	AGHMKEGCYNZSFU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004121
c12CC(CCCc1cn[nH]2)C(=O)O	MCULE-6018989530,EMOLS-id_75547542	180.204	RJAINHZAZYVTMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004122
c12CC(CCCc1cno2)C(=O)N	MCULE-8840539054,EMOLS-id_75547962	180.204	HTGPKRFNDQVRKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004123
c12c(C(=O)NCCC1OC)[nH]cc2	CNP0434381,CMNPD29444	180.204	TYNSUAUKOPSTEO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004124
c12C(=O)CCCOc1n(nc2C)C	EMOLS-id_320447775,MCULE-9085558988	180.204	NWBKTKPYVBONRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004125
c1(C(=O)O)cnc2CCCCCn12	ZINC22_16124668,MCULE-7142100533,PC-id_26967338,EMOLS-id_11474135	180.204	KENUGPLNQCEXAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004126
CC1CC(O)c2c(C(=O)N1)[nH]cc2	SCHEMBL3425743,PC-id_59789217	180.204	QMRXHKQISFVVKD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004127
CC(=O)c1n[nH]c2c1CCOCC2	PC-id_105438649	180.204	GVAOYCXRFSHYIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004128
CC(=O)N1CCCNc2c1cco2	PC-id_96628855	180.204	JVYRNRKOMSYDRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004129
CC(=O)N1CCCNc2c1coc2	PC-id_96628852	180.204	MOXWRZPMEOLLKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004130
CC(=O)N1CCCNc2c1occ2	PC-id_96628858	180.204	SHBJVUSRGIUMFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004131
Cn1cc2c(n1)CC(CCC2=O)O	SCHEMBL15277581,PC-id_89819495	180.204	GLAGWFPYPJDESF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004132
CNC1C(=O)NCCc2c1occ2	SCHEMBL14171276,PC-id_23554468	180.204	WLYISFBONQSGKD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004133
NC(=O)c1noc2c1CCCCC2	EMOLS-id_96799661	180.204	FBCWOYXSRGTDOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004134
NC(=O)c1onc2c1CCCCC2	PC-id_142673150	180.204	VXXFJSBPABYFSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004135
NC(=O)[C@H]1CCCc2cnoc2C1	ZINC22_575423956	180.204	HTGPKRFNDQVRKS-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-004136
NC(=O)[C@@H]1CCCc2cnoc2C1	ZINC22_575423957	180.204	HTGPKRFNDQVRKS-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004137
NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_96844709	180.204	ADSDFKXERKTVHI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004138
o1c2C(N)CCC(=O)Nc2cc1C	PC-id_82409099	180.204	QAPGMBQNJHDPRH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004139
o1c2N(C(=O)CCC(c2nc1)C)C	SCHEMBL14075318,PC-id_59801869	180.204	FNJXZQBCPDBUHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004140
o1cc2CCN(C(N)C(=O)c2c1)C	PC-id_82409004	180.204	RKHXOMKRGKMPLZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004141
O1CCCCn2c1nc(c2)C(=O)C	PC-id_82654258	180.204	RPEPXZPLFZSMRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004142
O1CCCCn2nc(cc12)C(=O)C	PC-id_82654259	180.204	LQMVIRGOHWDMIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004143
o1nc2CCN(CCc2c1C=O)C	PC-id_83862984	180.204	IPMUMJINDMGCCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004144
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o1ncc2C(CCC(=O)N(c12)C)C	SCHEMBL14075323,PC-id_59801888	180.204	PCVSEMFSAWNYOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004146
o1nc(c2CCN(CCc12)C)C=O	PC-id_83863033	180.204	SROMEKNEVKTJTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004147
o1nc(c2NC(=O)CCCc12)CC	PC-id_83678994	180.204	URUIWYRHKLLWLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004148
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OC1CCNC(=O)c2c1n(C)cc2	PC-id_142647778	180.204	JAHWODGQHCNSRB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004151
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O=Cc1n(C)nc2c1CCOCC2	PC-id_112711163	180.204	CNSHJAILWFJIQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004154
O=Cc1nn(c2c1CCOCC2)C	PC-id_112711177	180.204	SMUMCJZDUFBHIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004155
OC(=O)c1c2c(CCCCC2)[nH]n1	BAS-15420831,CHEMBL1528446,SCHEMBL1149868,CoCoCo_428063,SPECS-id_AT-687/PE32862,EMOLS-id_835734,SPECS-id_AT-687/NB01854,CoCoCo_4169938,STOCK7S-49151,ZINC22_5052891,MCULE-1988156871,PC-id_655343,CoCoCo_428062,EMOLS-id_1555188,CoCoCo_4169939	180.204	NFNLJMOKEMQHAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004156
OC(=O)C1c2[nH]ccc2CCNC1	PC-id_68931252,SCHEMBL4146834	180.204	UOPPAVXYNSCRJN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004157
OC(=O)c1cc2CNCCCc2[nH]1	EMOLS-id_331187432	180.204	ZCODCJLEHDBYBB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004158
OC(=O)c1cc2c([nH]1)CCCCN2	PC-id_96628837	180.204	PQISCGDNKYYNTD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004159
OC(=O)c1ccc2n1CCCNC2	SCHEMBL14525196,PC-id_20790289	180.204	DLDIAVXKDNCLGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004160
OC(=O)C1CCc2nccn2CC1	MCULE-9798554848,PC-id_145913289,EMOLS-id_320403362	180.204	VQXPGJYVWDHTIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004161
OC(=O)C1CCCCc2c1[nH]nc2	PC-id_82600579	180.204	KPVPQUHTPDSFOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004162
OC(=O)C1CCCCc2[nH]ncc12	PC-id_84657295	180.204	LMJKBDDAIOQNRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004163
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OC(=O)c1nc2n(CCCCC2)c1	PC-id_82409151	180.204	PXDPEZDTVHOBDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004165
OC(=O)c1ncn2CCCCCc12	EMOLS-id_324527226	180.204	AALRKRHPXIXTCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004166
OC(=O)c1[nH]c2CCCCCc2n1	PC-id_82409128	180.204	QBKCNTLMVITXAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004167
OC(=O)c1[nH]c2c(CCNCC2)c1	PC-id_84768108	180.204	RCGQDSFISXRZJV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004168
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c12n(C)ncc1CCC(N)C(=O)N2	SCHEMBL18365787,EMOLS-id_320449565,PC-id_137052799,MCULE-6203131322	180.207	LYHKKBVOGYGASU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004172
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CC1CC(=O)Nc2c(N1)n(nc2)C	PC-id_136922343	180.207	TWSHLMGQPHCFPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004176
CC1CC(=O)Nc2c([nH]nc2N1)C	PC-id_136922342	180.207	AHJZBNLQZVGCGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004177
CC1CNC(=O)Cn2c1cc(n2)N	PC-id_142448103	180.207	OHUSRISSAPFRMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004178
CC1CNC(=O)Nc2c1n(C)cn2	PC-id_112489327	180.207	IRSMWXIKMXNQDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004179
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O=C1C(N)CCn2c(N1C)ccn2	SCHEMBL18366155	180.207	DERLXWUBMUHKJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004200
O=C1C(N)CCn2c(N1C)cnc2	SCHEMBL18365841	180.207	IIOHLMZNYNUAFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004201
O=C1C(N)CCn2c(N1C)ncc2	SCHEMBL18365833	180.207	IFAPGOOZCXTBEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004202
O=C1Nc2cn(nc2CCC1N)C	SCHEMBL18365763	180.207	UECDDPYTOJGTDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004203
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O=C1NCCN(c2ncn(c12)C)C	PC-id_601908	180.207	OMHQVJRZHJHBEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004206
O=Cc1nn2CCCCN(c2n1)C	PC-id_83482340	180.207	CAKRBJGYADOXBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004207
CC1C=Cc2c(C=N1)oc(=S)[nH]2	PC-id_142357789	180.227	FKIQLSVAVJQVSS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004208
CC1C=Cc2c(N=C1)oc(=S)[nH]2	PC-id_142318038	180.227	NGUBRYNLDZHNDZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004209
CC1=NCC(=O)Nc2c1scc2	PC-id_137219268	180.227	WDXYMNIAJZJZDX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004210
CC1(S)C=Cc2c(C=C1)non2	SCHEMBL21099422,PC-id_138721118	180.227	KJWTUZCYXPRTGL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004211
OC1=CCC=c2c(=C1)[nH]c(=S)[nH]2	PC-id_144739657	180.227	ZGHOQBMIDCKOFE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004212
O=C1CC(=Nc2c(N1)csc2)C	SCHEMBL19846240,PC-id_14967316	180.227	AJZYFOIZVBZBEL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004213
O=C1Nc2scnc2C=CC1C	PC-id_142177792	180.227	DZAFAPFJQYANCB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004214
CC1C=Cc2c(N=C1)nn(n2)S	PC-id_142405147	180.23	WJEVUBQBGAPSDC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004215
CC1(S)C=NC=c2c(=N1)nc[nH]2	PC-id_142608910	180.23	LYOIWLTYWYUNKX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004216
CSC1=NN=CCn2c1ccn2	PC-id_146037681	180.23	MRYLMPQMICLJAQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004217
S1CCCCn2nc(nc12)C#N	PC-id_82654315	180.23	LBORBEHSPODTEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004218
FC1=CC=c2c(=CC1)scc2C	PC-id_142164216	180.242	GLNSGOZWGYDRDV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004219
o1c2CCCCCCC(O)c2cc1	PC-id_13414167	180.244	REQRFLSFQRQRRX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004220
o1c2c(C(O)CCCCC2)c(c1)C	PC-id_13414172	180.244	RBGLEQLBYPANOB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004221
c12-c(ccccc1CC=C=C)ccc2	PC-id_24976645	180.245	VEASCJYTZXQGAL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004222
c12CC(CCCc1cnn2C)CO	MCULE-6250683931,EMOLS-id_75547648	180.247	VCHHBDFIHDSXMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004223
Cc1nc2c(o1)C(C)(C)CCNC2	PC-id_144812682	180.247	FNMUOLIKHVHNAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004224
CC(c1cnn2c1OCCCC2)C	PC-id_142561602	180.247	BNYYPNXYIHKTGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004225
CC(c1nn2c(c1)COCCC2)C	SCHEMBL15293674,PC-id_89831188	180.247	UYFWKBVCLCELBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004226
CC(c1nn2c(c1)OCCCC2)C	PC-id_138579610,SCHEMBL20938172	180.247	AAHJEWQGDJHDTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004227
CC(c1n[nH]c2c1COCCC2)C	SCHEMBL17229741,PC-id_118489268	180.247	KNOYNRUPQKIOTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004228
CCn1nc2c(c1O)CCCCC2	EMOLS-id_41629268	180.247	RDAGBRLSHOGZJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004229
CCNC1CCCCc2c1cno2	EMOLS-id_96605984,PC-id_107384344	180.247	ZNDKDAPAGVRMIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004230
Cn1c(CO)nc2c1CCCCC2	PC-id_99988210,EMOLS-id_49837922,MCULE-6143120929,ZINC22_217695876	180.247	ZDOGVQXYXSQFAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004231
Cn1nc2CCCCCCc2c1O	EMOLS-id_337914112	180.247	FASZYJYKCSQNNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004232
Cn1ncc2c1C[C@H](CO)CCC2	ZINC22_575425627	180.247	VCHHBDFIHDSXMJ-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004233
Cn1ncc2c1C[C@@H](CO)CCC2	ZINC22_575425628	180.247	VCHHBDFIHDSXMJ-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004234
CNCc1cn2c(c1)OCCCC2	PC-id_96852249	180.247	HDRDVGVTVPYAEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004235
CNCc1noc2c1CCCCC2	EMOLS-id_96698497,PC-id_80463099	180.247	DNXBROCUJINQSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004236
NCc1c(O)cc2n1CCCCC2	PC-id_98721993	180.247	BOTQZRMFUOAJCQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004237
NCc1noc2c1CCCCCC2	PC-id_80461704,EMOLS-id_96698452	180.247	ZQVMMSMJOYDGGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004238
o1c2CCCCCc2nc1CCN	PC-id_82408882	180.247	XGHBIQFCWQXELR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004239
o1c2CCCCCc2nc1[C@@H](N)C	PC-id_82408883	180.247	FDKKTPJJJUGIQU-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004240
o1c2C(CCCNc2cc1)CCN	PC-id_83672670	180.247	WDIVLRCBUSMBEW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004241
o1c2CC(CCNc2cc1)CCN	PC-id_83672672	180.247	IFDJYWXDGYCGFU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004242
o1c2c(CCNCC2)cc1CCN	PC-id_84768214	180.247	VDJIVCWDRYHMFC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004243
o1c2CCN(CCc2cc1CN)C	PC-id_82600710	180.247	NLIQSODQGJQRGV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004244
o1c2c(nc1C(C)C)CCCNC2	PC-id_84657569	180.247	PGVNDPOLEIDYGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004245
o1c2c(nc1C(C)C)CCNCC2	PC-id_84657570	180.247	NWZTUSMKCVMWHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004246
O1CCc2[nH]c(cc2CC1)CCN	PC-id_84768200	180.247	IQFSSZWQLLNBFS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004247
o1nc2c(CCCCC2)c1CCN	PC-id_83846530	180.247	RQVBZKZJZBOMIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004248
o1nc2c(CCCCC2)c1C(N)C	PC-id_83846524	180.247	RSMNULGUTKQMDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004249
o1nc2c(CCCCC2)c1CNC	PC-id_83846537	180.247	NOOIDEUKOZROJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004250
o1nc(c2c1CCCNC2)C(C)C	PC-id_83679468	180.247	GCVZZIOSQJNDPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004251
o1nc(c2NCCCCc12)C(C)C	PC-id_83678993	180.247	HDIAZMVDDGVXTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004252
O=c1n(c2c(n1C)CCCCC2)C	PC-id_10749885	180.247	YRBZNXAPCCEJPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004253
O=c1n([nH]c2c1CCCCC2)CC	PC-id_66022320	180.247	FIOYVBAQGVFEPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004254
OCc1[nH]c2CCCCCCc2n1	PC-id_63926990,EMOLS-id_40130263	180.247	PGLZBOIQPTXZOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004255
OCCc1nn2CCCCCc2c1	PC-id_83674602	180.247	GLMPXYXRQSTUPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004256
c12N(CCCCn1nc(CN)c2)C	PC-id_96852357,MCULE-8368716336	180.25	CJOSBXNHAGSJRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004257
O=Cc1ccc2-c1ccccc2C#N	PC-id_101466947	181.19	XFGSUQSWYRWGSS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004385
c12N(C)CCCNc1c(n(C)n2)C	PC-id_112708737,MCULE-5097983890	180.25	NYGVKELFWHQVNA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004258
c1(C(C)N)nnc2CCCCCn12	PC-id_16227530,EMOLS-id_2872671,MCULE-5133652265	180.25	WQCTXDFTGIHMRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004259
CC1(C(CCn2c(ccn2)N1)N)C	PC-id_137052803,SCHEMBL18365825	180.25	FERAQVXCCTWVEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004260
CC1CCNc2c(N1C)n(C)nc2	PC-id_112708735	180.25	NXONHHYLXCDABS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004261
CC1CCNc2c(N1C)n[nH]c2C	PC-id_112708734	180.25	QVYGKRCDZZFFLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004262
CC1CCNc2c(N1)n(C)nc2C	PC-id_136278905,EMOLS-id_96679523	180.25	KBEJZQOXFNVMDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004263
CC1CCNc2c(n(nc2N1)C)C	PC-id_136922347	180.25	VYEAYRXVEGEVRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004264
Cc1cn2CCNC(Cc2n1)(C)N	PC-id_91297751	180.25	JHPWYENAMNYVOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004265
CC1CNc2c(NC1)c(nn2C)C	EMOLS-id_96679271,PC-id_136278922	180.25	UFDAGNGMNAOYHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004266
Cc1nn2c(n1)NCCC(C2)(C)C	PC-id_143770151	180.25	UDOJHFFAIPGDNE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004267
CCc1nn2c(n1)CC(NCC2)C	PC-id_144045971	180.25	IEIBZBABWOYWLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004268
CCc1nn(c2c1NCCCN2)C	EMOLS-id_96673590,PC-id_136278936	180.25	WGJHDUGIVHQIOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004269
CC(C)C1CCNc2c(N1)[nH]nc2	PC-id_136922346	180.25	RPCRBDQEWFFWMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004270
CC(C)c1nnc2CCNCCn12	ZINC22_95762357,EMOLS-id_68918676,MCULE-7688484539,PC-id_72213350	180.25	WJRLHQFGRRXEEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004271
CC(C)c1nnc2n1CCCCN2	PC-id_136122475,MCULE-6359268106,EMOLS-id_42778070,ZINC22_79387662	180.25	DRMIPGQITNMMFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004272
CCCN1CCCn2c(C1)nnc2	EMOLS-id_114455666	180.25	VVCMKTGCWJHVIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004273
C[C@H](N)c1nnc2CCCCCn12	EMOLS-id_337420892,ZINC22_12505211,CoCoCo_4951086,PC-id_25323483	180.25	WQCTXDFTGIHMRX-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004274
C[C@@H](N)c1nnc2n1CCCCC2	PC-id_16391434,ZINC22_9953657,CoCoCo_4951085	180.25	WQCTXDFTGIHMRX-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004275
CCn1c2c(c(n1)C)NCCCN2	PC-id_136278929,EMOLS-id_96673587	180.25	HJQMWAOHSDFNJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004276
CC(N1CCCn2c(C1)cnn2)C	PC-id_140700412	180.25	TUUYWRQDKJYXDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004277
CCN1CCCn2c(C1C)nnc2	EMOLS-id_114455663	180.25	SUFBJXUACNVVGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004278
CCN1CCCn2c(C1)nnc2C	EMOLS-id_114455845	180.25	BZTKKHAUUOJZNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004279
CC(N1CCCn2c(C1)nnc2)C	EMOLS-id_114455863	180.25	PBMWBBKUBIVVDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004280
CN1Cc2cnc(n2CCC1C)N	SCHEMBL18947685	180.25	OSNGNALJDYVSOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004281
CN1CCCCn2c1nc(c2N)C	PC-id_96628672	180.25	VIGNYGRCKBCWCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004282
CN1CCCn2c(C1C)nnc2C	EMOLS-id_114455875	180.25	NAGCCXQBAORTEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004283
CN1CCCNc2c1n(C)nc2C	PC-id_80195610,EMOLS-id_96679184	180.25	KJIWWJAIRAIZQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004284
CNC1CCc2nnc(C)n2CC1	CHEMBL4581346,EMOLS-id_300494815,PC-id_91910787,MCULE-7886888132	180.25	ZEEAHWSDVHBWEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004285
CNCc1n2c(CCCCC2)nn1	ZINC22_12505095,PC-id_16227378,EMOLS-id_300113527,MCULE-7990226050	180.25	ONIBARNLHAWNMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004286
CNCc1n[nH]c2c1CCNCC2	PC-id_112711145	180.25	GFPQHJXJOWBMJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004287
CN[C@@H]1CCc2n(CC1)c(nn2)C	PC-id_99766466	180.25	ZEEAHWSDVHBWEJ-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004288
CN[C@H]1CCc2n(CC1)c(nn2)C	PC-id_99766467	180.25	ZEEAHWSDVHBWEJ-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004289
n12CCCCN(c1nc(c2)CN)C	PC-id_82654384	180.25	WIEATBLBMWMZAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004290
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n12nnnc1CC(CC(C2)(C)C)C	PC-id_12143311	180.25	SHWIMLPRLHUFKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004295
n12nnnc1CCC(C(C)C)CC2	PC-id_24846476	180.25	QTSACWQQMIBSEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004296
N1(CCc2c([nH]nc2N)CC1)CC	PC-id_83914971	180.25	ITRUZEOJHWVGFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004297
N1(CCc2c([nH]nc2NC)CC1)C	PC-id_83862838	180.25	MAFSTIRASFCCRR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004298
N1CCc2c([nH]nc2N(C)C)CC1	PC-id_83863201	180.25	WFRFKZGKZVDGFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004299
N1(CCc2c(nn(c2N)C)CC1)C	PC-id_83862828	180.25	MDBNQIUWFPHIEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004300
N1CCc2c(nn(c2NC)C)CC1	PC-id_83862827	180.25	BBBMXSNGFJJYIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004301
N1(CCc2n(nc(N)c2CC1)C)C	PC-id_83914967	180.25	WFOBBVGDTSPIGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004302
n1(nnc2c1CCNCC2)C(C)C	PC-id_83864781	180.25	RHYOLPJXOGGVQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004303
NC1CCn2c(N(C1C)C)ccn2	SCHEMBL18365824	180.25	NQKNNFXWDNCMFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004304
NC1CCn2c(N(C1)C)c(nc2)C	SCHEMBL18365853	180.25	KLJBCMUIYHHJCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004305
NC1CCn2c(N(C1)C)cnc2C	SCHEMBL18372183	180.25	XHNHIVQRIHREOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004306
NC1CCn2c(N(C1)C)nc(c2)C	SCHEMBL18365845	180.25	LWKQIACPLXDXEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004307
NC1CCn2c(N(C1)C)ncc2C	SCHEMBL18365847	180.25	RPRQNISYDPJXOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004308
Nc1ncc2n1CCC(NC2)(C)C	SCHEMBL18947687	180.25	PPIZETWRWWWVSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004309
NCc1n(C)nc2c1CCNCC2	PC-id_112711136	180.25	DBQOIWRLSRKQTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004310
NCc1n[nH]c2c1CCN(CC2)C	PC-id_112711146	180.25	HMHRIFWSOYVRED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004311
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CC1CC=c2c(=NC1)sc(n2)C	PC-id_142981542	180.27	LNJNJHJVPHGCEA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004326
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[nH]1nc(c2CCCCCc12)C[NH2+]C	PC-id_28063332	180.27	SFPCZJNCDYVBQT-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-004328
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Cc1sc2c(c1)CCCCCC2	SCHEMBL21093837,PC-id_12717963	180.31	WOSRFXGSGHXKLT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004335
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C1CC(=O)CCC2=C(C1)N=CS2	PC-id_164141676	181.056	YWTZXQGFAFGCHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004346
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C1CN(CC2=CC=NN2C1)C(=O)O	PC-id_151288231	181.085	NZWIRPHQRYRFOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004348
C1CN(CCC2=C1C=NN2)C(=O)O	PC-id_154017139	181.085	IMCANKNNMVZFIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004349
C1CN(CCC2=C1NC=N2)C(=O)O	PC-id_163870845	181.085	PKQOHWKEUHQPTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004350
C1CN(CCN2C1=NC=C2)C(=O)O	PC-id_150987564	181.085	LRKGNTPZPAQMGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004351
CC1=CC(=C2C1=CC=CC=C2)CC#N	PC-id_154192297	181.089	ULBTYMWHDLNJFK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004352
O=C1C=CC(=O)Oc2c(O1)noc2	PC-id_141797885	181.102	PJIUXRCLUCEFJB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004353
O=C1/C=C/C(=O)Oc2nc(O1)oc2	PC-id_145826996	181.102	VSQBYMIHALNXRB-OWOJBTEDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004354
C[C@@H]1CCCN2C(=CC(=O)N2C1)N	PC-id_147944911	181.122	IMMBMFVXAHTRMT-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004355
CN1CCC2=CN(N=C2C(C1)O)C	PC-id_165028406	181.122	JHNVDNFPYVYCPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004356
O=C1C=CCNc2c1cnn2P	PC-id_145612938	181.132	CLQODWUYLAFYQR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004357
o1ccn2-c(cn([nH]2)C(=O)O)cc1	PC-id_68155625,SCHEMBL11898254	181.149	LIDKGMZNEOGYKC-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-004358
Nc1[nH]nc2CC(=O)NNC(=O)c12	EMOLS-id_336488944	181.152	HXEOBBDFWGCEPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004359
O=C1Nc2nc[nH]c2C(=O)NC1N	PC-id_10702536	181.152	QLBDXBQUNUONBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004360
O=C1NNC(=O)c2c(N1)ncn2C	SCHEMBL10104855,PC-id_68035674	181.152	YWWCGYVVCMABSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004361
Cn1c2c(CN(CC(=O)N2)[O-])cn1	PC-id_136419559	181.172	REEGCKWAGSLDNA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004362
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[O-]C(=O)C1CCCCn2nnnc12	PC-id_74498548	181.172	UCVHFOGXOVXTGF-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-004364
[O-]C(=O)[C@@H]1CCCCn2nnnc12	PC-id_26342375	181.172	UCVHFOGXOVXTGF-RXMQYKEDSA-M	00000000100000000101000000000010000000000000000000000000	31-01-004365
[O-]C(=O)[C@H]1CCCCn2nnnc12	PC-id_26342379	181.172	UCVHFOGXOVXTGF-YFKPBYRVSA-M	00000000100000000101000000000010000000000000000000000000	31-01-004366
Pn1nc2c(c1)C(=C)CCCN2	PC-id_144315339	181.175	XIGQWCGIFCESMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004367
c12CC(CCCc1cno2)C(=O)O	EMOLS-id_75547958,MCULE-1285107109	181.189	RCYMVTVBEVXQLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004368
c1(C(=O)O)c2CCCCCc2on1	ZINC22_2537693,BAS-17119197,SCHEMBL20507181,EMOLS-id_851764,CoCoCo_430086,TIMTEC221509,MCULE-8104300408,PC-id_7017673,STOCK6S-85816	181.189	IOXIIOUTRNRNQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004369
o1c2CCCCCc2nc1C(=O)O	PC-id_82408601	181.189	ABASSGZWMJYJFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004370
o1c2CCCCC(c2nc1)C(=O)O	PC-id_84657782	181.189	KXEDRLWZYMVVSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004371
o1c2C(CCCNc2cc1)C(=O)O	PC-id_83672559	181.189	UBEWLHBQBFKOMU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004372
o1c2CCC(NCc2cc1)C(=O)O	PC-id_69133615,SCHEMBL4661484	181.189	ACQWPXOPRZNDLF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004373
o1c2c(CCNCC2)cc1C(=O)O	PC-id_84768334	181.189	MVQVKGHKSKOUGS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004374
o1c2c(CC(NCC2)C(=O)O)cc1	PC-id_83683745	181.189	KDWZEGVGSHWVNQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004375
O1CCc2[nH]c(cc2CC1)C(=O)O	PC-id_84768335	181.189	XYTJCBNALNQWFK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004376
o1nc2C(CCCCc2c1)C(=O)O	PC-id_82600861	181.189	SHWDIWVKWDHAEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004377
o1nc2CCCCCc2c1C(=O)O	PC-id_83862797	181.189	XPNLDFVJBFVCIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004378
o1nc(OC)c2c1CCCCC2=O	PC-id_12387427	181.189	LAJFEHXIVJUAHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004379
o1nc(OC)c2CCCCC(=O)c12	PC-id_12387428	181.189	OUESXKABSODEMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004380
OC(=O)c1cc2CNCCCc2o1	EMOLS-id_329988108	181.189	UDPMCLWQGVQBFS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004381
OC(=O)c1coc2CCCNCc12	MCULE-6174982830,EMOLS-id_195324201	181.189	IBRYXZOLZFPSRR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004382
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O=Cc1c(C#N)cc2-c1ccccc2	PC-id_121006724	181.19	OSFQFKORRXMRMW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004386
c12nncn1CCCCC2C(=O)O	PC-id_102548709,EMOLS-id_49181746,MCULE-3433317991	181.192	UQRXZJMFQURUQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004387
CC1CC(=O)Nc2c(onc2N1)C	PC-id_136922348	181.192	HGLZLAXSMSDMRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004388
Cc1[nH]nc2c1NC(=O)O[C@H](C)C2	PC-id_92266919,ZINC22_5503850,CoCoCo_5613112,CoCoCo_5613110	181.192	VSYRZLGAIXLZRM-SCSAIBSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004389
Cc1n[nH]c2c1NC(=O)O[C@@H](C)C2	PC-id_92341395,CoCoCo_5613113,ZINC22_8667342,CoCoCo_5613111	181.192	VSYRZLGAIXLZRM-BYPYZUCNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004390
CN1CCC(=O)Nc2c1cc(o2)N	PC-id_98753079	181.192	IARZKRKGZCWVEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004391
CN1CCC(=O)Nc2c1c(N)oc2	PC-id_98753084	181.192	OURYQNLMMNOQQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004392
CN1CCC(=O)Nc2c1oc(c2)N	PC-id_98753086	181.192	RURUDJAHEWIUSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004393
CNC1C(=O)NCCc2c1ocn2	PC-id_23554467,SCHEMBL14171199	181.192	NIUYWFCEJDIFJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004394
O1C(Cc2n[nH]c(c2NC1=O)C)C	PC-id_335531	181.192	VSYRZLGAIXLZRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004395
O1CCCCn2nc(nc12)C(=O)C	PC-id_82654458	181.192	KQJNOEBHPJWRLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004396
o1nc2c(NC(CC)C(=O)NC2)c1	PC-id_82373306	181.192	NDBFOLAIRAQXCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004397
o1nc2c(NCC(=O)NC2)c1CC	PC-id_82373312	181.192	AXIANDHCVRVPJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004398
o1nc2c(NC(C(=O)NC2)C)c1C	PC-id_82373308	181.192	VRFHZEACWBEEDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004399
o1nc2c(NC(C(=O)NC2)(C)C)c1	PC-id_82373302	181.192	JHEOEQDYUKBEEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004400
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O=C1NOCc2n(C1)nc(c2C)C	PC-id_140921616	181.192	GFUOYNQUSJWSMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004405
OC(=O)c1cc2CNCCCn2n1	EMOLS-id_329963476,ZINC22_238636301	181.192	TVDUCYSXZIDQRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004406
OC(=O)C1CCc2nncn2CC1	MCULE-6710378673,EMOLS-id_303623807	181.192	ZIEDBEUNEFOFHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004407
OC(=O)C1Cn2c(ccn2)CNC1	EMOLS-id_317452091,MCULE-3249280231	181.192	HDQZRSHOZIDTOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004408
OC(=O)C1CNCc2nccn2C1	MCULE-9222779280,EMOLS-id_317023574	181.192	UEAJNPYBMAPPTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004409
SC1C=CC=c2c(=C1)scn2	SCHEMBL19140063	181.278	NSUFXRHHYRSOTQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004536
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OC(=O)c1n2CCCNCc2cn1	PC-id_83875693	181.192	LRHOVRSDJQHXMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004411
OC(=O)c1n2CCNCCc2cn1	PC-id_83875694	181.192	VHMLAWOUKROTEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004412
OC(=O)C1NCc2n(CC1)ccn2	PC-id_69174154	181.192	OBBBZKHVYDCECW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004413
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OC(=O)c1n[nH]c2c1CCNCC2	PC-id_83862837	181.192	UXPXGNPPQXLIOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004417
OC(=O)c1nnn2CCCCCc12	EMOLS-id_330808073,PC-id_84657820	181.192	PJRJIOJVWBHXMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004418
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O=C(O)[C@@H]1CNCc2nccn2C1	ZINC22_1772716158	181.192	UEAJNPYBMAPPTB-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004426
OC(=O)N1CCn2c(CC1)ccn2	PC-id_118394495,SCHEMBL17112928	181.192	XFAWZAOWIPUBQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004427
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O=C(N)c1n2CCNCCc2nn1	PC-id_45158732	181.195	UORXVMFTDNRXSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004431
c12ccsc1C(=O)CCC(=O)N2	NSC641165,MCULE-7845223010,SCHEMBL5025454,CoCoCo_5701838,ZINC22_1626612,EMOLS-id_70104662,PC-id_369400	181.212	JQIAMULIXYHWGW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004432
c12sccc1C(=O)CCC(=O)N2	PC-id_82408438,MCULE-5971297855	181.212	RHDIXPCEISXDFK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004433
s1c2c(C(=O)CCNC2=O)cc1	PC-id_83679525	181.212	DOPHWKUOKPMEJM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004434
s1c2c(C(=O)NCCC2=O)cc1	PC-id_83679554	181.212	JBWNOHRPHZDCJI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004435
CCn1cnc2c1NC=[NH+]C[C@H]2O	GD-id_ZINC13807423	181.215	RJFJJQASHHXPGH-ZCFIWIBFSA-O	00000000100000000111000000000010000000000000000000000000	31-01-004436
s1c2c(NC(=O)CN=C2)nc1C	PC-id_21139050	181.215	VCBNKIPVSJWRDV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004437
C1(=S)CC(=Nn2cnnc2N1)C	CT-id_1543755,PC-id_135713012	181.218	YPGZHNYBQXHCDV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004438
Cc1cc2c(s1)N=CCC(=C2)F	SCHEMBL19677300	181.23	VPZIGRMMPAJSQI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004439
CCCn1cc2c(c1)CCCOO2	SCHEMBL182878,PC-id_22672968	181.232	UHBLMCJVVSTCQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004440
CCCn1cc2c(c1)OCCCO2	SCHEMBL182879,PC-id_11084497	181.232	WXQVRVMSDPNSRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004441
CN1CCc2c(C(C1)O)cc(o2)C	PC-id_68409883,SCHEMBL2836589	181.232	OSSWEGAJRLNRSO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004442
CN1CCC(c2c(C1)oc(c2)C)O	SCHEMBL2837063,PC-id_68410119	181.232	PRUXDUFFMFTYQO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004443
o1c2c(CCOCC2)cc1CCN	PC-id_84768431	181.232	ZVJWODMMMIDFKM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004444
o1nc(c2CCCCCCc12)CO	PC-id_80462580,EMOLS-id_107796170	181.232	NWJQUEXDSSUNHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004445
OCCN1CCCc2c(C1)cco2	EMOLS-id_114460113	181.232	BFSFOSBTLSZZHA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004446
N#Cc1c(cc2-c1ccccc2)CC	PC-id_71420582	181.233	AZKDLQMYJJXOJO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004447
N#CCc1c2-c(c(cccc2)C)cc1	PC-id_85915683	181.233	BULFQTABMODRQN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004448
c12C(CCCOc1n(nc2C)C)N	EMOLS-id_320448287,MCULE-3099519075	181.235	DBLGYVAJKVUNPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004449
c12CN(C)CCCn1cnc2CO	MCULE-2629796081,ZINC22_238306695	181.235	LAMCXBADLMSIKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004450
c1cn2c(n1)CCNCCOCC2	ZINC22_1857783373,EMOLS-id_324262327,PC-id_154872291	181.235	ITLAAQIAOXVWEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004451
CC1CCNc2c(N1C)noc2C	PC-id_112708754	181.235	HJDJKFBIZPQIFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004452
Cc1cn2CCOC(Cc2n1)(C)N	PC-id_91052669	181.235	RQNHDYOEMJPAEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004453
CC(c1nnc2n1CCCOC2)C	PC-id_58784028,SCHEMBL11914655	181.235	UOVULMFTHMMWQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004454
CC(c1nnc2n1CCOCC2)C	PC-id_58783595,SCHEMBL11914671	181.235	FLYXATSVKFYZCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004455
CC(c1nnc2n1COCCC2)C	SCHEMBL11914681,PC-id_58783890	181.235	HHTHGBBPZIZEFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004456
CCCc1nnc2CCOCCn12	MCULE-6673307858,EMOLS-id_337773142,ZINC22_2356155728	181.235	KZWUDHZWIGWKAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004457
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CCn1nc2n(c1=O)CCCCC2	EMOLS-id_114460700	181.235	CXXOQXABWNJKHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004459
CCn1[nH]c2c(c1=O)CCNCC2	PC-id_117273351	181.235	ZPAIWXKJQJRXLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004460
CCn1[nH]c(=O)c2c1CCNCC2	PC-id_117273350	181.235	GJGWPYQZXMFOKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004461
Cn1c2c(C(CCCC2)OC)nn1	PC-id_134488432,SCHEMBL20128257	181.235	DBVWBPHDHXVLNE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004462
Cn1c(c2CNCCCc2n1)OC	EMOLS-id_323937255,PC-id_136589964	181.235	ZAGZGSVCGJXQSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004463
CNCc1n[nH]c2c1CCOCC2	PC-id_112711144	181.235	HYKOGLYLWUIZQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004464
COCC1CNCc2ccnn2C1	EMOLS-id_50370422	181.235	BTKZRGIGMQPSQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004465
COC[C@@H]1CNCc2ccnn2C1	ZINC22_105475565	181.235	BTKZRGIGMQPSQD-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004466
COC[C@H]1CNCc2ccnn2C1	ZINC22_105475567	181.235	BTKZRGIGMQPSQD-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004467
COC[C@@H]1CNCc2nccn2C1	ZINC22_107492381	181.235	WMVKGATVSVFMMT-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004468
COC[C@H]1CNCc2nccn2C1	ZINC22_107492384	181.235	WMVKGATVSVFMMT-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004469
NC1CCn2c(OC1(C)C)ccn2	SCHEMBL18365822	181.235	YKXICMOVJSAOAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004470
NCc1n(C)nc2c1CCOCC2	PC-id_112711135	181.235	JBAXYCNJCJEGKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004471
NCCc1n[nH]c2c1CCOCC2	PC-id_112711138	181.235	AYLJJUMMQHZCHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004472
NCCN1CCc2c(CC1)nco2	PC-id_70456652,SCHEMBL10855918	181.235	GCQVNEZBHYYFBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004473
O1c2n(CCCC1)cc(n2)CCN	PC-id_82654646	181.235	HJMQNHMYCFHPTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004474
O1c2n(CCCC1)cc(n2)C(N)C	PC-id_82654640	181.235	DDGTURDEWHVRRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004475
O1c2n(nc(c2)CCN)CCCC1	PC-id_82654647	181.235	RSQPCNYYXVOCCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004476
O1c2n(ncc2CNCC1)C(C)C	PC-id_46941729	181.235	ZDTXQTXASAVUJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004477
O1c2n(nc(c2)CNC)CCCC1	PC-id_82654570	181.235	WRKMNMRZVNARLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004478
O1c2n(nc(C(N)C)c2)CCCC1	PC-id_82654641	181.235	UTVLZOVONDWISP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004479
O1CCc2c(nn(c2NC)C)CC1	PC-id_83862825	181.235	IKQRWRUXRLMTMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004480
O1CCCCn2c1nc(c2)CNC	PC-id_82654569	181.235	WDVXGLJKMRPSRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004481
o1nc2c(CCNCC2)c1CCN	PC-id_83862808	181.235	OVMDPDPTUFDMGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004482
o1nc2c(CCNCC2)c1CNC	PC-id_83862815	181.235	QAZOMDDBVJHFSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004483
o1nc2c(CCNCC2)c1N(C)C	PC-id_83863187	181.235	ZKOUBOCFJAATDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004484
s1c2c(C(NCCC2)CC)cc1	PC-id_83696470	181.298	YKLTZZQWGAMAIL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004563
o1nc2c(CCN(CC2)C)c1CN	PC-id_83862816	181.235	RXMNBTJKRORICD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004485
o1nc2CCN(CCc2c1NC)C	PC-id_83862799	181.235	OLSAHTKCNVPKNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004486
o1nc2CCN(CCc2c1N)CC	PC-id_83915016	181.235	NYJOSTSLIVSOKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004487
o1nc(c2CCN(CCc12)C)CN	PC-id_82408283	181.235	DJZXZAZPRCREHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004488
OC1CCCCCc2c1nnn2C	SCHEMBL16976975,PC-id_118281969	181.235	WOCBIWGNLCEMMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004489
O=c1[nH]n(c2CCN(CCc12)C)C	PC-id_83846682	181.235	ALFCIZPUDXMVGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004490
OCn1nc2c(n1)CCCCCC2	PC-id_102266788	181.235	UWLNRGMOKWIWHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004491
ONCc1nc2n(CCCCC2)c1	PC-id_82654635	181.235	YWZCCPKPXMZXIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004492
ONCc1nn2CCCCCc2c1	PC-id_82654636	181.235	FVKLAZKDCLXDLU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004493
c1(C(C)N)nnc2CCNCCn12	EMOLS-id_44696973,MCULE-1603485705,PC-id_70777646	181.238	PDWSPASWSRKZCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004494
Cc1nn2CCNC(Cc2n1)(C)N	PC-id_90735726	181.238	OIYITGZFXIMCOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004495
CCc1nnc2n1CC(N)CNC2	PC-id_144812758	181.238	FJTVMMMCQNEBTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004496
C[C@@H](N)c1nnc2n1CCNCC2	PC-id_97150423,ZINC22_91987420	181.238	PDWSPASWSRKZCZ-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004497
C[C@H](N)c1nnc2n1CCNCC2	ZINC22_91987417,PC-id_97150422	181.238	PDWSPASWSRKZCZ-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-004498
n12CCNCCc1nnc2CCN	PC-id_70718602,ZINC22_91410661,MCULE-4056510148,EMOLS-id_44696969	181.238	VLQIDZRAQCXZSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004499
N1(CCCCn2nc(nc12)CN)C	PC-id_82654687	181.238	FIIIVEVUOQISAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004500
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c12ccsc1CCCCC2=NO	MCULE-8243764685,ChEMBL-DNDi_CHEMBL1442365,PC-id_12919199	181.255	IXIDLXSEAAKLNE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004502
c12ccsc1CCCCC(=O)N2	MCULE-6313901412,SCHEMBL9038779,PC-id_668226,ZINC22_28298	181.255	IIHIKGGLTXNOAN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004503
C1CN(CCc2c1ccs2)C=O	PC-id_88945866,SCHEMBL12671871	181.255	XBJDEMYUXTWTLV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004504
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Cc1cc2c(s1)NCCCC2=O	PC-id_137387914,SCHEMBL20618465	181.255	QUPMGUVRYWZVIA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004506
CC1CCc2c(NC1=O)csc2	PC-id_143122237	181.255	WUCKFAOYYSZRPS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004507
CC1CC(=O)Nc2c(C1)scc2	PC-id_143122677	181.255	LNGXHAPYXRHQJP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004508
Cc1nc2c(s1)C(=O)CCCC2	SCHEMBL6118325,PC-id_69671070	181.255	FDXBDBCGCFVLML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004509
Cc1sc2c(c1)C(=O)NCCC2	SCHEMBL8917048,PC-id_21471960	181.255	DDGSWOPKNDPJPE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004510
CN1CCc2c(C(=O)C1)ccs2	SCHEMBL12886658,PC-id_53896455	181.255	HUAMBJAVIDMBBD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004511
CN1CCc2c(C(=O)C1)scc2	SCHEMBL13266265,PC-id_89047507	181.255	AMKHAJCGYUOBJS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004512
n1c(C=O)sc2CCCCCc12	EMOLS-id_36503433,ZINC22_20441880,MCULE-5338164475,PC-id_46784947	181.255	CLVZYLOEIINUOV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004513
NC1CCCC(=O)c2c1ccs2	SCHEMBL11533655,PC-id_21319845	181.255	WFQBNSGVEWMLJN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004514
O=C1CCC(c2c(C1)scc2)N	PC-id_21319847,SCHEMBL11536678	181.255	QMMODXPRXUAYJC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004515
O=C1NCCc2c(C1C)scc2	PC-id_141979100	181.255	ZFGORXUGLWHDGK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004516
O=C1NCCCCc2c1ccs2	SCHEMBL9038503,PC-id_19881136	181.255	DAQOQJMFKXWHDZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004517
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s1c2c(CCCNC2=O)cc1C	PC-id_82408196	181.255	YUENGOCSPHIXJX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004523
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s1c2CC(NCC(=O)c2cc1)C	PC-id_82408175	181.255	UTBJJSFRKVKPRD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004525
s1c2CCN(C(=O)Cc2cc1)C	PC-id_54173066	181.255	OWJJASQGPKBUAQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004526
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n12CCCCCc1nnc2[C@H]([NH3+])C	PC-id_41292607	181.258	WQCTXDFTGIHMRX-SSDOTTSWSA-O	00000000100000000101000000000010000000000000000000000000	31-01-004533
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c12CC(CCCc1ccs2)CN	MCULE-7844134540,EMOLS-id_317743735	181.298	RCZOKHRXYINHGY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004537
c12CC(CCCc1scc2)CN	MCULE-3395353383,EMOLS-id_317746806	181.298	GWTZDKPKHDKJCX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004538
c12CCCCCc1scc2CN	PC-id_71670802,EMOLS-id_96535312,MCULE-9307862884	181.298	FVOXKVBDAKEHTO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004539
Cc1cc2c(s1)C(C)CNCC2	SCHEMBL13266270,PC-id_89047511	181.298	AUBWGWQKKTUSIP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004540
Cc1cc2c(s1)CCNCC2C	SCHEMBL13881344,PC-id_89192664	181.298	UWPUVZWFCDZXCT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004541
CC1(C)CCCc2c(C1)ncs2	PC-id_143590710	181.298	KDAUIRPGPLXWKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004542
Cc1c(sc2c1CCNCC2)C	SCHEMBL13560094,PC-id_89116472	181.298	GGXULKGYSKZBFZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004543
Cc1nc2CCCCCCc2s1	MCULE-8414415711,ZINC22_217717667,PC-id_86112973,EMOLS-id_49866204	181.298	ZVKPJTWOJJEJFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004544
CC1NCCc2c(C1)cc(s2)C	PC-id_68317852,SCHEMBL12563257	181.298	OPKFAFUCOXIAJR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004545
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CN1CCc2c(C(C1)C)ccs2	PC-id_69174489,SCHEMBL4751918	181.298	ZTFHGHWEEWDYFL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004549
CN1CCc2c(C(C1)C)scc2	PC-id_57423977,SCHEMBL3314475	181.298	KFCBMIUWGICHNP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004550
CN1CCCc2c(CC1)scc2	PC-id_143122026	181.298	VGQLRDJQVRISQX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004551
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Nc1csc2c1CCCCCC2	EMOLS-id_96535309,PC-id_121599869	181.298	WCKDFXROPGGTHE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004553
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NCc1cc2CCCCCc2s1	EMOLS-id_31414487,PC-id_28388420,MCULE-7364667728	181.298	VWJIEAGHFCHGJA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004555
NCC1CCCCc2c1ccs2	SCHEMBL19674159	181.298	BFMXFQSTKMBLJN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004556
s1c2CCCCN(Cc2cc1)C	PC-id_13810982	181.298	FDOZTQJLRWIMKH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004557
s1c2CC(CNCc2cc1)(C)C	PC-id_83679440	181.298	VMVYEXUFNCYRQU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004558
s1c2C(CCNCc2cc1C)C	PC-id_83683857	181.298	HDJDORNUFOICJP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004559
s1c2c(C(CNCC2)(C)C)cc1	PC-id_82408068	181.298	UUJYKMMSYFYFRW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004560
s1c2CCN(CCc2cc1)CC	PC-id_13072076	181.298	VFPZIBFXQRMOAJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004561
s1c2c(C(NCCC2)C)cc1C	PC-id_83683858	181.298	DZJPVQMGEZISBC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004562
s1c2CN(CCCCc2cc1)C	PC-id_13810980	181.298	OVEYPKSYUGOQCY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004564
s1c2NCCCCc2c(c1C)C	PC-id_18378666	181.298	ITMSTOGGYYCGFF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004565
C1C=CSC2=C(C1=O)C=CS2	PC-id_153828187	181.986	OEEFEWFAKNNFEH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004566
C1=CC2=C(C=CS2)N[N+](=C1)[S-]	PC-id_153825840	181.997	VCCBVDKUSMARPT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004567
C1C=CC2=NSN=C2C=C1S	PC-id_153336363	181.997	WNBQGMXBSIVGLK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004568
C1=CSC=CC2=C1N=C(S2)N	PC-id_154451379	181.997	HZPKQFMVLQQSHF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004569
C1COC(=O)C2=COC(=C2)C(=O)O1	PC-id_155074747	182.022	TVNNAYBJBXUYPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004570
C1CC(C2=C(C=CS2)OC1)C=O	PC-id_165145654	182.04	YAXNSEDJEWOKOM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004571
C=C(C=O)c1c2-c(ccccc2)cc1	PC-id_163802601	182.073	NGHHTTGVFMAIBH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004572
O=C1C=CC(=O)Oc2c(O1)onn2	PC-id_140380202	182.09	JFNMRICNSKIGAK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004573
O=C1/C=C/C(=O)Oc2nc(O1)on2	PC-id_139642006	182.09	UZZLPOHBJSYXTD-OWOJBTEDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004574
O=c1ccc(=O)oc2oc(o1)nn2	PC-id_143040946	182.09	UTLKMANNEQPNDF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004575
O=C1C=CC(=O)Oc2n(O1)nnn2	PC-id_145783483	182.094	LVUQSCHKIQDXST-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004576
Cc1ccc(cc2-c1ccc2)C(=C)C	PC-id_163975941	182.11	SUCWHYCEAGQGIN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004577
O=C1NCC=Cc2c1n(P)nn2	PC-id_142224380	182.12	LARDSSUHTHWGAD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004578
C1COC(=O)c2cocc2C(=O)O1	PC-id_89657602,SCHEMBL15069658	182.13	CUMQNYNQYNNJOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004579
o1c2ccc1C(=O)OCCOC2=O	PC-id_68227560,SCHEMBL12273859	182.13	DVVGBNZLQNDSPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004580
O=C1CCC(=O)Oc2c(O1)occ2	PC-id_140759470	182.13	WDYSUDDBIPBSNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004581
O=C1OCCOC(=O)c2c1cco2	SCHEMBL17078001,PC-id_118366627	182.13	DGJKAGRTYAPHJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004582
OC1NC(=O)c2c(NC1=O)[nH]cn2	SCHEMBL5745004,PC-id_23448718	182.137	FWRUTCVDDIDJIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004583
O1CCc2c(oc(c2)C(=O)O)CC1	PC-id_84768660	182.173	LYQOKSXXAVYKDM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004584
c12CCCCOn1nc(C(=O)O)c2	MCULE-9502039126,ZINC22_258839689,EMOLS-id_54870346,PC-id_122237015	182.177	WHVADAQFLPIYGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004585
c1(C(=O)O)cc2n(CCCCO2)n1	MCULE-8283208283,PC-id_82654763,EMOLS-id_50383196,ZINC22_83274623	182.177	MZAIAVJLRZRTPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004586
c1(C(=O)O)cnn2CCCCOc12	MCULE-7185544349,EMOLS-id_50383206,ZINC22_108369764,PC-id_84039122	182.177	JBBJTLCJMYTHLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004587
O1CCc2c([nH]nc2C(=O)O)CC1	PC-id_83862836	182.177	INQZWUVSWSBDMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004588
O1CCCCn2c1nc(c2)C(=O)O	PC-id_82654762	182.177	VXKSFRCYSJGYJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004589
o1nc2c(CCNCC2)c1C(=O)O	PC-id_83862798	182.177	AOGGTWDVPZKETP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004590
o1nc2n(C(CCCC2)C=O)c1=O	PC-id_22901384	182.177	OHFIOSXQECOBRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004591
o1nc(c2CCNCCc12)C(=O)O	PC-id_82407961	182.177	ACXLTZXFCWVMRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004592
c12cnn(C)c1OCC(N)C(=O)N2	MCULE-4746887732,SCHEMBL18365780,EMOLS-id_320448286	182.18	VYTBCEPJLPDTAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004593
c12n(C)ncc1OCC(N)C(=O)N2	PC-id_137052796,EMOLS-id_320447517,SCHEMBL18365743,MCULE-8163175189	182.18	AAJMGPRAMJCGDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004594
c12nn(cc1OCC(N)C(=O)N2)C	MCULE-8189671772,SCHEMBL18365745,PC-id_137052797,EMOLS-id_320448285	182.18	OQIQWWJJZHENIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004595
C1CCCn2c(nnn2)C1C(=O)O	SPECS-id_AN-153/J118019,EMOLS-id_23738915,PC-id_16767458,MS2_ST095778,MCULE-9003487123	182.18	UCVHFOGXOVXTGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004596
C1CCn2c(c(nn2)C(=O)O)NC1	PC-id_136743939	182.18	XRAARNJAOKIFIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004597
Cc1noc2c1C(=O)N(NCN2)C	PC-id_135926448	182.18	BRCGALWMKALQRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004598
Cn1c2c(cn1)C(=O)NCC(N2)O	PC-id_137186858	182.18	GLTMTNFDYMORDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004599
Cn1c2c(C[NH+](CC(=O)N2)[O-])cn1	PC-id_136419558,SCHEMBL11258487	182.18	SKJXWWIRFRCCCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004600
O=C1[C@@H](N)COc2c(N1C)cn[nH]2	SCHEMBL18366002	182.18	OPWYLPUUCMMQBW-BYPYZUCNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004601
O=C1C(N)COc2c(N1C)cn[nH]2	SCHEMBL18365775	182.18	OPWYLPUUCMMQBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004602
O=C1C(N)COc2c(N1C)[nH]nc2	SCHEMBL18365798	182.18	AIKGGCUFUPGYLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004603
O=C1Nc2cn(nc2OCC1N)C	SCHEMBL18365761	182.18	CYUQZGHUVNWTRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004604
O=C1Nc2cnn(c2OC[C@@H]1N)C	SCHEMBL18366354	182.18	VYTBCEPJLPDTAX-BYPYZUCNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004605
OC(=O)C1CCc2nnnn2CC1	MCULE-7846689143,EMOLS-id_75508936,PC-id_121553354	182.18	BARXHIOTWFVOAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004606
OC(=O)c1nc2n(n1)CCNCC2	SCHEMBL17112979,PC-id_118394539	182.18	OLQUXJDXIKJZHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004607
O=C(O)[C@@H]1CCc2nnnn2CC1	ZINC22_306815818	182.18	BARXHIOTWFVOAL-RXMQYKEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004608
O=C(O)[C@H]1CCc2nnnn2CC1	ZINC22_306815819	182.18	BARXHIOTWFVOAL-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004609
O=C(O)[C@@H]1CCCCn2nnnc12	PC-id_26342376,CoCoCo_1114972,ZINC22_14987830	182.18	UCVHFOGXOVXTGF-RXMQYKEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004610
O=C(O)[C@H]1CCCCn2nnnc12	PC-id_26342380,ZINC22_14987833,CoCoCo_1114971	182.18	UCVHFOGXOVXTGF-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004611
OC(=O)N1CCn2c(CC1)nnc2	SCHEMBL1497560,PC-id_67054519	182.18	LOWZKIONJLDVIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004612
s1cc2CCCNC(=S)c2c1	PC-id_85717770	183.294	RMSOIRWENSVORB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004841
O=C1CNC(=O)c2sccc2N1	PC-id_16122349,EMOLS-id_32445226,MCULE-1235729996,ZINC22_35307277	182.2	XNNDUYCDMJNOMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004613
s1c2NC(=O)CC(=O)Nc2cc1	PC-id_15833198	182.2	IZKQIVNJFAZCQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004614
c12nonc1N=C(C=C(S)N2)C	ZINC22_6201256,TIMTEC409691,MCULE-1368718735	182.203	QQTKJXIAKUAKTI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004615
CCN1CCNc2c([N+]1=O)cn[nH]2	PC-id_137083995	182.203	APHSXAAVWSLABQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004616
O=C(N)c1n2CC[NH2+]CCc2nn1	PC-id_51900756	182.203	UORXVMFTDNRXSR-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-004617
CC1=CC(C=Cc2nsnc12)F	PC-id_137399230,SCHEMBL20630831	182.218	ROUCQXXXRAEZOR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004618
O=C/C=C/c1c2-c(cc1)ccccc2	PC-id_23257839,SCHEMBL9244312	182.218	LIEAZMDVOGYATG-GQCTYLIASA-N	00000010100000000110000000000010000000000000000000000000	31-01-004619
O=CC=Cc1c2-c(cc1)ccccc2	PC-id_54034813	182.218	LIEAZMDVOGYATG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004620
O=CC=Cc1c2-c(ccc2)cccc1	PC-id_86108942	182.218	KBROIUQFLFAZES-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004621
O=C/C=C/c1cc2-c(c1)ccccc2	PC-id_101033450	182.218	ZOZCLEZQPMXCMC-SNAWJCMRSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004622
O=CC=Cc1ccc2-c(cc1)ccc2	PC-id_86108946	182.218	APJBNZILVZURRO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004623
c12C(CCCOc1n(nc2C)C)O	EMOLS-id_320448031,MCULE-4423968176	182.22	BMEOLPXPMKELNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004624
CC1COCCn2c1c(C)c(=O)[nH]2	SCHEMBL19429599	182.22	ZQYJGSSRUJKNRR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004625
CCC1CCCCc2n1c(=O)on2	PC-id_9815424,SCHEMBL6799506	182.22	IRPANEYAVMXKAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004626
CCC1CCCCn2c1noc2=O	SCHEMBL6803150,PC-id_10154330	182.22	SDPAJMQSZTYXCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004627
CCn1oc2c(c1=O)CCNCC2	BindingDB_PC-id_14515723,PC-id_14515723,SCHEMBL10436608	182.22	UDEDSOFOOGPVRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004628
CCOc1noc2c1CCNCC2	PC-id_20026449,BindingDB_PC-id_20026449	182.22	CBAZYOHUXOJCOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004629
CCOc1noc2c1CNCCC2	SCHEMBL10459676,BindingDB_PC-id_10442337,CHEMBL69305,PC-id_10442337	182.22	JGSYDDJSPMMTRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004630
CN1CCc2c(CC1)c(=O)n(o2)C	PC-id_14515727,BindingDB_PC-id_14515727	182.22	SQYHUFHKJCFSNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004631
COc1noc2c1CCN(CC2)C	BindingDB_PC-id_71562662,PC-id_71562662	182.22	CDQYOYMCJUJUGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004632
O1c2n(nc(c2)CCO)CCCC1	PC-id_83674604	182.22	NXCJTKMWZQCHGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004633
O1CCc2c(noc2CCN)CC1	PC-id_83862807	182.22	JOVZLIZRYXLBBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004634
O1CCc2c(noc2CNC)CC1	PC-id_83862814	182.22	IVOQFFQTMNKJJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004635
o1nc(OC)c2c1C(CCNC2)C	PC-id_10081044	182.22	WDPWMDYOYHHFSX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004636
o1nc(OC)c2CCCCC(N)c12	PC-id_12387430	182.22	DQZWVXUXCVUOIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004637
OC1(CCCNc2c1occ2)CN	PC-id_83672355	182.22	FMSFAQUJWVBBLO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004638
OC1(CCNc2c(occ2)C1)CN	PC-id_83672357	182.22	SUCOMWNWCIPTOL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004639
OC1C(NC)CNCc2occc12	PC-id_82407776	182.22	ZYHHRNVQDAINNW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004640
O=c1n(C)c2c(n1C)CCOCC2	PC-id_145769970	182.22	QWLBMBNAUZBDSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004641
O=c1n(C)c2c(n1C)COCCC2	PC-id_145769741	182.22	JEQFIERDUSZSPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004642
n12c(C=CC(=CC1=CC#N)C)ccc2	PC-id_85954829	182.221	ZAENHFCTNWANRJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004643
CCCC1CNc2nonc2CN1	PC-id_136313006	182.223	KULSUTYRCDVQCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004644
CC(C)C1CNc2nonc2CN1	PC-id_137234991	182.223	KERKVAHMMPTWOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004645
CC(C)[C@H]1CNc2nonc2CN1	PC-id_136313007	182.223	KERKVAHMMPTWOH-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004646
CC(C)[C@@H]1CNc2nonc2CN1	PC-id_137267802	182.223	KERKVAHMMPTWOH-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-004647
Cn1nc2CCC(N)CCn2c1=O	MCULE-7866916399,PC-id_90488132,EMOLS-id_50251662	182.223	LOWXWMHQETURCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004648
CNCc1n2c(CCOCC2)nn1	MCULE-8271055408,EMOLS-id_313478004,ZINC22_1535545209	182.223	PBFFMYFCXIALTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004649
COc1nn2c(c1N)NCCCC2	SCHEMBL1075859,PC-id_136337853	182.223	ITLQDJNTXIUGDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004650
n12CCOCCc1nnc2CCN	EMOLS-id_337654760,MCULE-2089016457,ZINC22_2100554922	182.223	IANHRTMJTOMAOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004651
N[C@H]1CCn2c(CC1)nn(c2=O)C	PC-id_99728162	182.223	LOWXWMHQETURCL-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004652
N[C@@H]1CCn2c(CC1)nn(c2=O)C	PC-id_99728163	182.223	LOWXWMHQETURCL-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-004653
O1CCCCn2nc(nc12)CCN	PC-id_82654890	182.223	WNQAFGRLUBNDGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004654
O1CCCCn2nc(nc12)CNC	PC-id_82654879	182.223	PKHZCJGDGCEUKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004655
O1CCCCn2nc(nc12)C(N)C	PC-id_82654889	182.223	ROEXFSVMHMIBLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004656
OCCN1CCCn2c(C1)nnc2	EMOLS-id_114467388	182.223	PTOIZVDDMSGKRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004657
ONCc1nn2CCCCCc2n1	PC-id_82654887	182.223	DCPBEWSEFQCEKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004658
c12CC(CCCc1cnn2C)CF	MCULE-8816916055,EMOLS-id_170746005	182.238	UPMCOWYOJQGDOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004659
s1c(c2c(CCOCC2)c1)C=O	PC-id_82407708	182.239	CJRWVKRGMDRMCH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004660
CC1CSc2c(C(=O)C1)cco2	PC-id_14450470,SCHEMBL9865054	182.24	RUVIKBFKSICFSF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004661
C=Cc1scc2c1COCCO2	PC-id_142992157	182.24	PTFVOSKDDRWSEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004662
S1CCCC(=O)c2c1oc(c2)C	PC-id_12347424	182.24	XUOXVFXCQHCSGQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004663
c12ccsc1C(N)CCC(=O)N2	MCULE-1889775167,PC-id_82407688	182.243	ZJUPBXDPJMHBDD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004664
c12C(=O)NCCCc1nc(C)s2	MCULE-3872889825,SCHEMBL8197486,PC-id_602703	182.243	XMHMGGACWIVVNV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004665
c1c2O[C@@H](C)CN=C(N)c2sc1	PC-id_24894153,SCHEMBL8194872,BindingDB-id_64094,DB07003,BindingDB_PC-id_24894153,PD005701,CHEMBL1221702	182.243	TUOXPJFCQDMQOX-YFKPBYRVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004666
Cc1nc2c(s1)CCCC(=O)N2	SCHEMBL18366027	182.243	RZKOHPHJUVHLOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004667
Cc1nc2c(s1)NC(=O)CCC2	EMOLS-id_96199445	182.243	VWZBCNJCAVOXBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004668
C[C@@H]1CN=C(c2c(O1)ccs2)N	SCHEMBL8216436,PC-id_54334650	182.243	TUOXPJFCQDMQOX-RXMQYKEDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004669
CC[N@H+]1CCc2c(CC1)nc(o2)N	PC-id_86294942,GD-id_ZINC17119779,GD-id_ZINC00000982	182.243	ZNXAJGZPUQOEDZ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-004670
Cn1cc2C(=O)CCNSc2c1	PC-id_91042261	182.243	DZCCMJXLCZFENM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004671
CN1CCC(=O)c2c[nH]cc2S1	PC-id_91039580	182.243	FKKAFQKSHIGULU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004672
CN1CCC(=O)c2c(S1)cc[nH]2	PC-id_91459952	182.243	UGOMPNBRYDYEMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004673
N1C(=O)C(N)CCc2sccc12	EMOLS-id_300831908,SCHEMBL8623465,CHEMBL4586983,MCULE-4947457042,PC-id_19067054	182.243	WXHZHKVGSYYDGJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004674
Nc1cc2c(s1)C(=O)NCCC2	PC-id_98774181	182.243	LRLTZIKMGOFBJB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004675
Nc1nc2CCCCC(=O)c2s1	PC-id_25130828,SCHEMBL691842,MCULE-4847599678,EMOLS-id_313487737	182.243	NFAOGEPIABIIAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004676
Nc1sc2c(n1)C(=O)CCCC2	SCHEMBL13125950,PC-id_59549559	182.243	KPMFCTCIJUYRKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004677
N[C@H]1CCC(=O)Nc2c1scc2	PC-id_96627897	182.243	ZJUPBXDPJMHBDD-YFKPBYRVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004678
N[C@@H]1CCC(=O)Nc2c1scc2	PC-id_96627898	182.243	ZJUPBXDPJMHBDD-RXMQYKEDSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004679
O=C1CCC(c2c(N1)scc2)N	PC-id_112489160	182.243	WASHLEKMUVUFQC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004680
O=C1CCSc2n(N1C)ccc2	PC-id_145339586	182.243	SAHGYIFFAPZEEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004681
O=C1Nc2ccsc2CC[C@H]1N	PC-id_97184570	182.243	WXHZHKVGSYYDGJ-RXMQYKEDSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004682
O=C1Nc2ccsc2CC[C@@H]1N	PC-id_97184571	182.243	WXHZHKVGSYYDGJ-YFKPBYRVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004683
O=C1NCc2c(CC1C)ncs2	PC-id_142177636	182.243	CKHOLNKWEMVDHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004684
O=C1NCCc2c(C1)sc(c2)N	PC-id_98760427	182.243	VMKWDXYBFHUOBK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004685
O=C1NCCCc2c1c(N)sc2	PC-id_98774179	182.243	YCVXJGROYCMORY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004686
O=C1NCCCc2c1csc2N	PC-id_98774180	182.243	IIIDIROJXAWEEE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004687
O=Cc1n[nH]c2c1CCSCC2	PC-id_112711792	182.243	RBRJNQUDYDMLER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004688
s1c2CNCCC(=O)c2nc1C	PC-id_22217617	182.243	IGZFSOYCXKSPBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004689
s1c2c(OC(CN=C2N)C)cc1	PC-id_54334651	182.243	TUOXPJFCQDMQOX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004690
s1c2N(CCNC(=O)c2cc1)C	PC-id_85717741	182.243	WADAVMGIPBMTMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004691
S1CCCCn2c1ncc2C=O	PC-id_82407679	182.243	AZLWKPWMTNHVON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004692
S1CCCCn2c1nc(c2)C=O	PC-id_83482609	182.243	LSJIIQHGBDLMRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004693
S1CCCCn2nc(cc12)C=O	PC-id_83482610	182.243	JMMZBCSKSNPJJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004694
S1NCCC(=O)c2n(ccc12)C	PC-id_21028219	182.243	PSMKQDMDWSDDQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004695
S=C1NCCCc2oc(nc12)C	PC-id_10726118	182.243	WUWXKOKCOFBYMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004696
c1(c2-c(c(c1C)C=C)ccccc2)C	PC-id_71343593	182.261	SNZUJWIMSLYNFT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004697
c1(c2-c(ccc2)cccc1)CCC=C	PC-id_24976644	182.261	DJNWUNGQLJFYOJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004698
Cc1c2-c(c(cc2)C)cc(cc1)C=C	PC-id_91727833	182.261	RDXQLYFNEFLBQI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004699
OC1=CC=CSc2c1ccs2	PC-id_145797274	182.263	USVGWRCRIKGCQF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004700
S1(=O)C=Cc2c(C=C1)csc2	PC-id_24972661	182.263	SESGJIMVTBPJBT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004701
CC1=Cc2scnc2SN=C1	SCHEMBL19594776	182.266	VYSWBJCILCZPLV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004702
n1cccc2c(s[nH]1)ccs2	PC-id_67793623,SCHEMBL9202988	182.266	YTTOOQFCNSTYQS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004703
c12CCCCCc1scc2CO	MCULE-2257569530,PC-id_28318283,EMOLS-id_114469594	182.283	HFMKTCZJPWUIDD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004704
c12CC(CCCCc1ccs2)O	EMOLS-id_320426262,MCULE-4664685107	182.283	WYXFQGREEZMKNX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004705
c12CC(CCCCc1scc2)O	EMOLS-id_320427798,MCULE-2990313412	182.283	QTDWWXBRQQFGNE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004706
Cc1cc2c(s1)CCCCC2O	PC-id_122448231,SCHEMBL17970208	182.283	ASVVWVSAUHMYRR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004707
Cc1cc2c(s1)C(CCCC2)O	PC-id_89057564,SCHEMBL13303500	182.283	ZCTGYMMXISSIPT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004708
OCc1cc2c(s1)CCCCC2	EMOLS-id_37563257,PC-id_43350830	182.283	XMQTZNZCAOBVSE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004709
S1CCC(Cc2c1oc(c2)C)C	PC-id_12347444	182.283	PZYUMJDXYHZKKV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004710
c12C(CCCCc1sc(C)n2)N	MCULE-9046073830,EMOLS-id_316752424	182.286	BVYIAEROFOJWDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004711
C1c2sc(CN)nc2CCCC1	EMOLS-id_2721671,ZINC22_336240,MCULE-5724094261,SPECS-id_AN-919/40988740,PC-id_820066	182.286	HOXOBYOSXFZYKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004712
CC1Cc2c(CCN1)nc(s2)C	SCHEMBL15001564,PC-id_86686067	182.286	JFVQOGRSOLGGAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004713
CC1CCc2c(CN1)sc(n2)C	SCHEMBL15001580,PC-id_86686068	182.286	DLOIZORNWWLJQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004714
CC1CNCCc2c1sc(n2)C	SCHEMBL15024207,PC-id_86686503	182.286	MPAGIVOZNSWDRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004715
Cc1nn2c(c1C)SCCCC2	SCHEMBL16920691,PC-id_118243960	182.286	MRVSYMMJNQTAPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004716
Cc1nn(c2c1CCCCS2)C	SCHEMBL16920700,PC-id_118243969	182.286	QXYKIERTQZMXHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004717
CCc1nc2c(s1)CCNCC2	PC-id_84658684,SCHEMBL15024187	182.286	MCFSQHUHKNINNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004718
CCc1ncc2n1CCCSC2	PC-id_142514470	182.286	HQINAPFLINGGRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004719
CCc1n[nH]c2c1CSCCC2	SCHEMBL19413428	182.286	BMNUTOYVCOUCDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004720
CN1CCc2c(CC1)nc(s2)C	PC-id_21139027,SCHEMBL14111064	182.286	TUVBCKCISMLAJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004721
Cn1nc2c(c1C)CCCCS2	SCHEMBL16920696,PC-id_118243965	182.286	VCIOJAMQFYFOQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004722
Cn1nc(c2c1CCSCC2)C	PC-id_145769934	182.286	ZOMVQNMSHBXWCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004723
n1c2CCCCCCc2sc1N	ZINC22_2533978,CoCoCo_406288,BAS-12767609,EMOLS-id_299996074,PC-id_3833816,MCULE-7827262247	182.286	WGULVBTUKIEYSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004724
s1c2CCCCCc2nc1NC	PC-id_60734453	182.286	KHWUVYNRVVUJEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004725
s1c2C(CCCNc2cc1)CN	PC-id_83672637	182.286	IFTGUXACNCUJBY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004726
s1c2CC(CCNc2cc1)CN	PC-id_83672639	182.286	MSOLYGOMXHBGBJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004727
s1c2CCCCN(c2nc1C)C	PC-id_21139008	182.286	LISXCWUHKKRDLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004728
s1c2CCCN(Cc2nc1C)C	PC-id_21139019	182.286	OLJQAVIVSVAIGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004729
s1c2c(C(N)CCCC2)c(N)c1	PC-id_57140846	182.286	FPXWIRSLTYCDON-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004730
s1c2c(nc1)C(CCCC2)CN	PC-id_82407555	182.286	IXYNSUVSCMLXJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004731
s1c2c(nc1CC)CCCNC2	PC-id_84658678	182.286	SGMSCFFEWFRKEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004732
s1c2CN(CCCc2nc1C)C	PC-id_21139030	182.286	KVCLAXPEXGTHEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004733
s1c2NCCCCc2nc1CC	PC-id_15069533	182.286	QUCPAOVVTSYLGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004734
s1c2N(CCCCc2nc1C)C	PC-id_21139034	182.286	XFJTWFUKZBSSMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004735
s1cc2NC(C(CNc2c1)C)C	PC-id_14967322	182.286	YWNFBGUFTLIILD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004736
S1CCc2[nH]c(cc2CC1)CN	PC-id_84768837	182.286	OXXZXGYSORYEGP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004737
s1ncc2c1C(CCCC2)CN	PC-id_82407540	182.286	XEJUDQMHWZAWHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004738
S=c1[nH]c2CCCCCCc2[nH]1	SCHEMBL18780517,PC-id_80121957,EMOLS-id_114469942	182.286	BEDNPIPLMNKHHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004739
C1CCC[n+]2c(CCC1)csc2	SCHEMBL6154525,PC-id_19842187	182.306	PBXPOEPLFVQXAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004740
[NH3+]Cc1cc2c(s1)CCCCC2	GD-id_ZINC19835249,PC-id_28388419	182.306	VWJIEAGHFCHGJA-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-004741
Cc1cc2=CCCC(N=c2[nH]1)Cl	PC-id_134375817,SCHEMBL20004521	182.65	YSMLPPRVEWKAQY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004742
C1=CPC=NC2=CN(N=C21)S	PC-id_153336348	183.002	JWGJRRLVHKYTAM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004743
C1CC2=C([C@@H](OC1)CN)SC=C2	PC-id_164146826	183.072	ZBDVLCXKJJAMFQ-QMMMGPOBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004744
C1CC(C2=C(C=CS2)OC1)CN	PC-id_165145766	183.072	UVCOKBMWNHWNEK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004745
C1CC(C2=CSC=C2OC1)CN	PC-id_165145918	183.072	MOBUBWBJEAVOET-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004746
C1CCC2=C(C=NN2CC1)SN	PC-id_153396100	183.083	XHBBVPYTMDMTKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004747
CN1CCC2=C(C(C1)F)N(N=C2)C	PC-id_165098588	183.117	KTTNVHULYMYHMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004748
CN1CCC2=CN(N=C2C(C1)F)C	PC-id_165028405	183.117	DADSWOUFQXAIIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004749
O=C1OC(=O)Oc2c(O1)cn(c2)C	SCHEMBL7266796	183.118	FZSBFHZEGZVPBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004750
[B]C1=CC(CC=C2C(=C1)C=C(N2)C)C	PC-id_163588490	183.122	DKVGXWDBNWTPHB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004751
Pn1nc2c(c1)C(=O)CCCN2	PC-id_144315311	183.148	HDHRCNWPKQYZIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004752
O1CCc2c(noc2C(=O)O)CC1	PC-id_83862796	183.161	SLKSXSBJBNLDHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004753
O1CCc2c(onc2C(=O)O)CC1	PC-id_82407403	183.161	NHQFTEBHXWMQST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004754
O1C(CCc2n[nH]nc2C1)C(=O)O	EMOLS-id_49999019,PC-id_55279181	183.165	KGQRQWZOKDQZGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004755
O1CCCCn2nc(nc12)C(=O)O	PC-id_82655008	183.165	FEWDFVXCOWZMBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004756
OC(=O)c1nnc2CCOCCn12	MCULE-6485577949,EMOLS-id_277308942	183.165	JHDTYDVUKZZPRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004757
O=C1NOc2c(CC1=O)scc2	PC-id_142673683	183.184	UOHSECKELODGEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004758
O=C1CCCCC[n+]2noc(O)c12	ZINC22_138772277,PC-id_16762645	183.185	DQGUCSAVSQBXQZ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-004759
O=C1CNC(=O)c2c(N1)ncs2	PC-id_142739034	183.188	KCBQBCOPKMJKOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004760
Cc1nc2c(o1)CCC(CC2)(O)O	PC-id_68207145,SCHEMBL12175931	183.204	HZQSBTRDDWXMQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004761
O1c2c(OCCC1)cn(c2)CCO	PC-id_57738867,SCHEMBL3250243	183.204	CWXPMTRUHGDHTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004762
COc1cc(c2-c1ccccc2)C#N	PC-id_121006726	183.206	FNXQOYKTTSWCTN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004763
O(c1c(c2-c(c1)ccccc2)C#N)C	PC-id_15082575	183.206	WOPNHKKJNLOYPO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004764
CCN1COOCc2c1ncn2C	SCHEMBL18256699	183.208	CBMHBMJPAHAYTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004765
COc1cn2c(c1N)NCOCC2	SCHEMBL16966303,PC-id_118273092	183.208	AKFDVBUZPYSXKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004766
NCC1CCCCc2n1c(=O)on2	SCHEMBL6906348,PC-id_22901402	183.208	SOLTTWNLHDNINM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004767
O1CCCCn2nc(cc12)CNO	PC-id_82655057	183.208	WCVTVMPAOBXSQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004768
O=c1n2n(CCCCCC2)c(=O)[nH]1	PC-id_70449464,SCHEMBL10813637	183.208	QHGWRMYFTROOME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004769
Nc1c2-c(c(c1N)C#N)ccccc2	PC-id_13409901	183.209	AHTYFQAUVKPARH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004770
N#Cn1c(=N)cc2-c1ccc(cc2)C	PC-id_121006107	183.209	YWKOQKMYBWVBCJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004771
FCCN1CCCc2c(C1)cco2	EMOLS-id_114473228	183.223	ROQNFQAYUBHCNY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004772
FC1CCCCCc2c1nnn2C	PC-id_118281968,SCHEMBL16976974	183.226	NSGZOPLFNSCUNV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004773
c12ccsc1C(O)CCC(=O)N2	MCULE-2637409129,PC-id_85714231	183.228	KGWMNINOMKGYCT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004774
c12sccc1C(O)CCC(=O)N2	MCULE-4846687542,PC-id_121207227	183.228	AAJGARAXWOKSIY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004775
Cc1cc2c(s1)NC(=O)COC2	SCHEMBL19273818	183.228	HRSALGWDVBUUBJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004776
CCOc1noc2c1C[NH2+]CCC2	GLL_PC-id_10442337	183.228	JGSYDDJSPMMTRM-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-004777
CN1CCc2c(CC1)o[n+](c2O)C	PC-id_88610961	183.228	SQYHUFHKJCFSNM-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-004778
OC1CCNC(=O)c2sccc12	BindingDB_PC-id_134611913,PC-id_134611913,BindingDB-id_343755	183.228	WCZALYZRJFCJLB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004779
s1c2c(OCCNC2=O)cc1C	PC-id_85717731	183.228	FNUZXHAOSZPMBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004780
s1c2OCCNC(=O)c2c(c1)C	PC-id_23383283	183.228	BFJNGJIDCBLEAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004781
S1CCc2c(noc2C=O)CC1	PC-id_83871761	183.228	APWNIHHVUHRKIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004782
S1CCc2c(onc2C=O)CC1	PC-id_83871781	183.228	PSDQAENIINLVEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004783
c12C(=O)NCCCc1nc(N)s2	PC-id_602966,SCHEMBL12938269,EMOLS-id_4602346,MCULE-2210140740,STOCK4S-51863,ZINC22_243040	183.231	FUEGOTSBXHYYIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004784
Cc1csc2c1N=CNCON2	SCHEMBL19073291	183.231	BEGOOWHBHBBDKI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004785
Nc1cc2c(s1)NC(=O)NCC2	PC-id_98774173	183.231	KLQLKWGPHYXTRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004786
O=C1NCCCc2c1[nH][nH]c2=S	PC-id_142943353	183.231	ZQFHVRAYECGMMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004787
O=C1Nn2cccc2SCC1N	SCHEMBL19031532	183.231	IXDKNIXIVRYRAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004788
O=C1Nn2cccc2SC[C@@H]1N	SCHEMBL19031530	183.231	IXDKNIXIVRYRAK-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004789
s1c2CCCNC(=O)c2nc1N	PC-id_12410019	183.231	RSOMBJKPHBHNIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004790
s1c2CNCCC(=O)c2nc1N	PC-id_22217641	183.231	XSNIQHJAWLHMRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004791
S1CCCCn2nc(nc12)C=O	PC-id_83482728	183.231	WDCFNTXRUXWIMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004792
Cc1cc2c([nH]1)cccccccc2	PC-id_139425130,SCHEMBL21284843	183.249	QKJVSJRZIKGOEC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004793
C=C1/C=CC=C/Cc2c(/C=C
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C[C@H]1C[NH+]=C(c2c(O1)ccs2)N	GD-id_ZINC00026310	183.251	TUOXPJFCQDMQOX-YFKPBYRVSA-O	00000000100000000111000000000010000000000000000000000000	31-01-004795
O=C1NC=CSc2c1ccs2	PC-id_140362263	183.251	WCRVQMRTSMGIRH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004796
S=C1NN=Cc2c(N1)scc2	PC-id_140981898	183.254	NGCPOAUPJIDGGO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004797
C1Cc2c(ccs2)C(OC1)CN	PC-id_89532751,SCHEMBL14903701	183.271	NKVVYDCRTLSAJQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004798
CC1NCCc2c(C1O)ccs2	PC-id_68413266,SCHEMBL2844252	183.271	PTLUGCAAXSPKLZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004799
CN1CCc2c(C(C1)O)ccs2	SCHEMBL2836823,PC-id_68409998	183.271	POWJXZUOFVHDBX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004800
CN1CCC(c2c(C1)ccs2)O	PC-id_68410490,SCHEMBL2837935	183.271	BHBOJESLUDFBKQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004801
CN1CCC(c2c(C1)scc2)O	SCHEMBL2839500,PC-id_68411137	183.271	VANOUWXYSQAKRX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004802
Cn1c(=O)sc2c1CCCCC2	EMOLS-id_102612803	183.271	KNKSJPSOZFZKGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004803
COc1csc2c1CCNCC2	TT-id_D0YO2O	183.271	RYPJBVSHWONNPO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004804
n1c(CO)sc2CCCCCc12	PC-id_46784948,EMOLS-id_36503435,ZINC22_45205942,MCULE-5864311890	183.271	BFZRRWYKJHJXJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004805
Nc1cc2c(s1)C(O)CCCC2	PC-id_143997164	183.271	JTQNSMZOJBMIAH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004806
NC1CCCC(c2c1ccs2)O	PC-id_21322970,SCHEMBL11532360	183.271	PZFXIXAWXDAVGG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004807
N[C@@H]1CCC[C@H](c2c1ccs2)O	PC-id_54216041,SCHEMBL11533314	183.271	PZFXIXAWXDAVGG-HTQZYQBOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004808
N[C@@H]1CCC[C@@H](c2c1ccs2)O	SCHEMBL11534449,PC-id_54216042	183.271	PZFXIXAWXDAVGG-SFYZADRCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004809
O=c1[nH]c2c(s1)CCCCCC2	PC-id_43286734,EMOLS-id_37606458	183.271	PBRQGGNBCDIYFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004810
ONC1CCCCc2c1ccs2	PC-id_144431064	183.271	AIPUGMYRYNHNFY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004811
ONC1CCCCc2c1scc2	PC-id_144431063	183.271	RKPYOFMXPIMOHZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004812
S1CCc2c(oc(c2)CN)CC1	PC-id_84769186	183.271	ASBSIMYAGBBKCF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004813
s1n(c(=O)c2CCCCCc12)C	PC-id_85767337	183.271	TUIBTCDDVDWNQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004814
S=c1[nH]c2c(o1)CCCCCC2	PC-id_121602498,EMOLS-id_97112310	183.271	RKGMPDFUFFGHAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004815
S(c1onc2CCCCCc12)C	PC-id_84022687	183.271	BSOYBGGYZYLGTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004816
SCc1noc2CCCCCc12	EMOLS-id_259607267,MCULE-6736159453	183.271	QLQARDAHPNXIML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004817
Cc1nn(c2c1NCCCS2)C	PC-id_114827373,EMOLS-id_96114741	183.274	CYAUYTZABWZMSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004818
CCc1nnc2n1CCCSC2	PC-id_89233347,SCHEMBL14048205	183.274	LJZQDJPVANDSAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004819
CCc1nnc2n1CSCCC2	PC-id_89233337,SCHEMBL14048189	183.274	YRJQTNJKADTRGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004820
CN1CCc2c(sc(n2)N)CC1	MCULE-5042112559,ZINC22_168510727,EMOLS-id_241292197,SCHEMBL3312231,PC-id_57804645	183.274	RXKFHYWAXLITAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004821
CN1CCCc2c(C1)nc(s2)N	PC-id_145534772	183.274	LROGAHXAXIWKRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004822
CN1CCCc2c(C1)sc(n2)N	PC-id_23087924,SCHEMBL3312725	183.274	ZFBQSXPWAWLZEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004823
Cn1nc(c2c1CCSCC2)N	PC-id_105440788	183.274	BFQITYMJLIVICW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004824
CNc1nc2c(s1)CCNCC2	SCHEMBL15001453,MCULE-3968463119,ZINC22_224627077,PC-id_89607449	183.274	XUOGRIUPTQPCSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004825
CNc1n[nH]c2c1CCSCC2	PC-id_112711783	183.274	QEDRTBNLSWVXEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004826
CSc1nc2c([nH]1)CCNCC2	PC-id_143603211	183.274	HCLUJJKPUMTQPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004827
CSc1nnc2n1CCCCC2	EMOLS-id_114475769	183.274	BRSPXGZFLSIIOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004828
n12CCCCCc1nnc2CS	PC-id_66489701,MCULE-6239352211,EMOLS-id_50075322	183.274	KMUSBCDKHCYYFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004829
n1c2CCSCCc2c(CN)[nH]1	PC-id_112711787,MCULE-3932687871	183.274	JWEWQBWAPXLICK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004830
NNc1nc2c(s1)CCCCC2	EMOLS-id_38517521,PC-id_61701024	183.274	ZELBNZXYLSTJSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004831
S1CCc2c(nn(c2N)C)CC1	PC-id_83871648	183.274	VXDZUCMKYVTAGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004832
S1CCCCn2c1nc(c2)CN	PC-id_82655212	183.274	JZCUJZZBTCVMNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004833
S1CCCCn2nc(cc12)CN	PC-id_82655213	183.274	IVKYBKQOCIBEAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004834
S(c1n2CCCNCc2cn1)C	PC-id_83679102	183.274	JQSKNONNXJUTIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004835
S(c1[nH]c2c(n1)CCCNC2)C	PC-id_83670446	183.274	YQXWCUNSNRPFAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004836
S(c1n[nH]c2c1CCNCC2)C	PC-id_83871828	183.274	BHDFPKOTMBJUIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004837
[NH3+]Cc1nc2c(s1)CCCCC2	GD-id_ZINC00336240,PC-id_6946806	183.294	HOXOBYOSXFZYKJ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-004838
s1c2c(CCCNC2=S)cc1	PC-id_19020493,SCHEMBL9336427	183.294	WVTMTXPARYJAKR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004839
s1c2CCCNC(=S)c2cc1	PC-id_12376836	183.294	GNIYFKYHNOFPSJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004840
ClC1CCc2c(CC1)cc([nH]2)C	PC-id_144129312	183.678	SHUKWXSTWORDJD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004842
C1CC(C2=CSC=C2OC1)CO	PC-id_165145698	184.056	MOJQOQFWYVIPGL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004843
C1C(COc2cn(cc2O1)[O-])(N)N	PC-id_163953349	184.073	NKUONNWFUGXHIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004844
CC1=Cc2c(C=CC=C1)cc(o2)C=C	PC-id_164058235	184.089	WEOSJWDLOPDWAT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004845
CC1=C(C(=C2C1=CC=CC=C2)C=O)C	PC-id_154295585	184.089	ZJGMASPAIODZCI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004846
CON1COCCN2C1=C(C=N2)N	PC-id_153864769	184.096	LRWKEPPPTBNPJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004847
O=c1ccc(=O)on2n(o1)occ2	PC-id_140380204	184.106	TYZASNAYVHYDDD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004848
CC1=CC2=CC=CC=CC2=C1C(C)C	PC-id_154133604	184.125	NFSKAGHRZCYASJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004849
Cc1cc(c2-c1ccccc2)C(C)C	PC-id_164165147	184.125	ZQKLLFPOUZCRDX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004850
CCC1=CC(=C2C=CC=C2C(=C1)C)C	PC-id_154113204	184.125	ABUPMTAJQGKXCD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004851
CC(C)(C)C1=CC2=CC=CC2=CC=C1	PC-id_165371991	184.125	BWBUBINKFXKQSO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004852
CCCCC1=CC=CC=C2C1=CC=C2	PC-id_154111286	184.125	FMGBWWJLLURWFM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004853
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o1nc2n(C(CCCC2)CO)c1=O	SCHEMBL6797763,PC-id_10154341	184.192	YVVXGDNWKJEMPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004859
OC1CC(O)Cn2c(C1O)cnc2	PC-id_73322319	184.192	MZWJFLGPETVICV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004860
OC1C(O)Cn2c(C(O)C1)cnc2	PC-id_85401102	184.192	MDOQTRXTGAMONW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004861
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O[C@@H]1C[C@H](O)Cn2c([C@@H]1O)cnc2	PC-id_16752915	184.192	MZWJFLGPETVICV-ARDNSNSESA-N	00000000100000000101000000000010000000000000000000000000	31-01-004863
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O[C@@H]1C[C@@H](O)Cn2c([C@@H]1O)cnc2	PC-id_16754759	184.192	MZWJFLGPETVICV-NJUXHZRNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004865
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N#Cc1c2-c(n(c1=O)C)ccccc2	PC-id_15078652,SCHEMBL9158144	184.194	ZQFWSDKXDHACGX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004868
O=c1[nH]c2-c(c1CC#N)ccccc2	PC-id_10442379	184.194	MXMDWQHOOPFOQZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004869
COc1nn2c(c1N)NCOCC2	SCHEMBL728916,PC-id_136017419	184.196	CGZXLRHQCXFFAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004870
O1CCCCn2nc(nc12)CNO	PC-id_82655289	184.196	YXAHDYYOKYFDMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004871
s1c(c2OCCCOc2c1)C=O	PC-id_82406703	184.212	HFLCQOXDCMNXSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004872
FCCN1CCCn2c(C1)nnc2	EMOLS-id_114479179	184.214	XPJCTHJPKNCFKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004873
C1C=CS(=O)(=O)Cn2c1ccn2	SCHEMBL20525194,PC-id_135349722	184.216	CCLZMQKXJYYKPC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004874
C1C(Nc2c(cn[nH]2)C(=O)N1)S	PC-id_137224181	184.219	JBKVPURKBKNZIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004875
Cc1nnc2n1NC(=O)CCS2	ZINC22_45920975,PC-id_50850167	184.219	XEQUXEWHUMZDRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004876
SN1CCNC(=O)c2c1nc[nH]2	PC-id_142250678	184.219	ZNNBGOISMXUXMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004877
c1ccc2-c(c(cc2)CC=CO)cc1	PC-id_88334947,SCHEMBL8627012	184.234	IULNLPGWVNRXJH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004878
C=CC(c1ccc2-c1ccccc2)O	PC-id_67644600,SCHEMBL8627009	184.234	RTEFTDJWCPHSIT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004879
C=CCc1c(O)cc2-c1ccccc2	PC-id_67644601,SCHEMBL8627011	184.234	PBGSSJYKFMTZTF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004880
CC(=O)c1c2-c(ccccc2)cc1C	EMOLS-id_44469368,ZINC22_85223654,MCULE-9001808129,PC-id_14545169	184.234	LAEMMWWSHFJJFS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004881
O=C(c1c2-c(c(c1)C)ccccc2)C	PC-id_14615746	184.234	OCTPRTOSLVEMCQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004882
O=Cc1c2-c(cc(cc(c2)C)C)cc1	PC-id_71346188	184.234	OQGYZENKAMDKRJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004883
O=Cc1c(c2-c(c1C)ccccc2)C	SCHEMBL13324764,PC-id_59301663	184.234	ADYXVINDZDKUAR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004884
O=Cc1cc2-c(c(cc2C)C)ccc1	PC-id_13924940,SCHEMBL3834329	184.234	YZNATRYHDXGWLW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004885
O=C(c1ccc2-c1ccccc2)CC	CNP0474283,PC-id_71674261	184.234	XJIYKUMNCSJNFK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004886
O=Cc1cc(c2-c1c(cccc2)C)C	PC-id_85646916,CNP0153059,UNPD192251	184.234	FUYQZVHTGPRRKD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004887
O=Cc1cc(c2-c(c(c1)C)ccc2)C	PC-id_71328525	184.234	MNBVKOJLLNGVOF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004888
OCC(=C)c1c2-c(cc1)ccccc2	PC-id_11332871	184.234	ZOGQFIUYTRKIAR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004889
N#Cc1ccn2c1C=CC(C=C2)(C)C	PC-id_144063340	184.237	UBIQXXABCVZLOM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004890
C1CCOc2c(OCC1)csc2	SCHEMBL10025621,PC-id_11830103	184.255	MVKYGIQQSBPLFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004891
CC1CC(C)Oc2c(O1)csc2	SCHEMBL1800218,PC-id_57822890	184.255	HDKIDSKJUYNAFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004892
CC1(C)COc2cscc2OC1	MCULE-9655236630,PC-id_9834140,ZINC22_33975312,EMOLS-id_13732716,SCHEMBL972430	184.255	PUEUIEYRIVFGLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004893
CC1Oc2cscc2OCC1C	PC-id_69224270,SCHEMBL4872162	184.255	DAOVDVOWGQZTNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004894
Cc1sc(c2c1OCCCO2)C	SCHEMBL10025599,PC-id_58446339	184.255	YDALIOMIBLDNQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004895
CCC1CCOc2c(O1)csc2	PC-id_68011863,SCHEMBL10025617	184.255	ATTDIURACSPLOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004896
s1c(c2c(c1C)COCOC2)C	PC-id_15749503	184.255	ORJNGTFJDQEJDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004897
S1CCCC(O)c2c1oc(c2)C	PC-id_12347426	184.255	OPWGIHOCHIGAAD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004898
Cn1c2c(CCCSC2)[nH]c1=O	PC-id_137437079,SCHEMBL20673900	184.259	OAIIRFMUAPLWAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004899
Cn1c(=O)[nH]c2c1CCCSC2	PC-id_142514474	184.259	URJZQDKUNQETLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004900
CNc1onc2c1CCSCC2	PC-id_112711776	184.259	CQOOIFCCOZYCDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004901
COc1nc2c(s1)CCNCC2	PC-id_89607568,SCHEMBL15001593	184.259	ISFJARDSKKWOCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004902
OCN1CCCNc2c1scc2	PC-id_102317848	184.259	MKHWRQKPXDHCKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004903
O=S1CCCc2c(C1)c(C)n[nH]2	SCHEMBL19413424	184.259	ZQZPZLCJQMXAJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004904
s1c2CCCCCc2n(O)c1=N	PC-id_597600	184.259	JPUWCHYEFWFCER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004905
s1c2NCCC(Cc2[nH]c1=O)C	PC-id_82655339	184.259	FSFBXWYNEKYMJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004906
S1CCc2c(noc2CN)CC1	PC-id_83871646	184.259	FKTJIXFAXVZWKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004907
S1CCc2c(onc2CN)CC1	PC-id_82406535	184.259	VZTASVGPHXBFMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004908
S(c1onc2c1CCNCC2)C	PC-id_83871826	184.259	CSAWFDZFOCBGPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004909
NN1CCc2c(CC1)nc(s2)N	SCHEMBL17591539,PC-id_118946167	184.262	LRHNPVHTNUVJGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004910
S1CCCCn2nc(nc12)CN	PC-id_82655352	184.262	RHBGSESNBMDXOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004911
S(c1n2CCCNCc2nn1)C	PC-id_83876444	184.262	VHIPLFANSDWSNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004912
S=c1n2CCCN(Cc2n[nH]1)C	PC-id_83876442	184.262	WOZKWIQPJRJTOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004913
S(c1n2CCNCCc2nn1)C	PC-id_83876443	184.262	IFQZNCFEXFMJTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004914
c1ccc2-c(c(cc2)[Si]C=O)cc1	PC-id_89544072	184.266	LUHGBJLALFRBJD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004915
Cc1cc2c(s1)C(CCCC2)F	PC-id_134355399,SCHEMBL19981792	184.274	JMIDPQTZPGTLHX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004916
c12-c(c(c(c1)C)C)ccc(cc2C)C	PC-id_10910225	184.277	GNWWYYXMJWZBTQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004917
c12-c(ccc1CC)ccc(cc2)CC	PC-id_11240860	184.277	XWBLJNSZJGKZAW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004918
c12-c(cc(c1C)C)ccc(cc2C)C	PC-id_14961868	184.277	ZGPIFUYZUWQOJN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004919
c12-c(c(cc1C)C)c(cccc2C)C	PC-id_23256999	184.277	AJZYOZJKSMZQJE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004920
c12-c(c(cc(cc1C)C)C)ccc2C	PC-id_10943142	184.277	XAEZWHYYUCDIAT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004921
c12-c(c(cc(cc1C)C)C)cc(c2)C	PC-id_638089	184.277	PCNXCKDWPBNUET-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004922
c12-c(c(c(cc(c1C)C)C)C)ccc2	PC-id_21608020	184.277	BJMBXPDQZXTQGT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004923
c12-c(c(cc(cc1CC)C)C)ccc2	PC-id_86255905	184.277	LJZHJPOKGQFLEI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004924
c1(c(c2-c(c1)ccc(cc2)C)C)CC	PC-id_19815766	184.277	HRXGWRGJTPZMHE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004925
c1(c(c(c2-c1ccccc2)C)C)CC	PC-id_86177773	184.277	YEVNGPFKFOATCK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004926
C(c1c2-c(cc1)ccccc2)CCC	PC-id_10261804	184.277	OGEYPWSTJOLXTL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004927
Cc1c2-c(c(c(c2)C)C)c(ccc1)C	PC-id_134995320	184.277	JUQJGFHCVBCFBS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004928
C(c1cc2-c(c1)ccccc2)CCC	PC-id_85970818	184.277	MRKQFFYRANYCEI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004929
C(c1cc2-c(c(cc1)C)ccc2)(C)C	PC-id_12053213	184.277	OHJGXPGLNASSEM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004930
C(c1cc2-c(cc(c2)C)ccc1)(C)C	PC-id_10986971	184.277	NCYASJPJXZZJDE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004931
C(c1cc2-c(c(cc2)C)ccc1)(C)C	PC-id_9989937	184.277	WMTFUXVIGMHHKL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004932
C(c1cc2-c(ccc2C)ccc1)(C)C	UNPD10236,PC-id_10954218	184.277	PWQIHFCYTPFUME-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004933
Cc1cc2-c(c(cccc2)C(C)C)c1	PC-id_87146356	184.277	JLSIQCHYUZNLEB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004934
C(c1ccc2-c(cc1)ccc2C)(C)C	PC-id_13849045	184.277	CLOACKZHHMHKGV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004935
C(c1ccc2-c(cc1)cc(c2)C)(C)C	PC-id_15195204	184.277	JVRMLEOLKRMHCU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004936
C(c1ccc2-c(cc1)ccc2)(C)(C)C	PC-id_15641209	184.277	MPJYKRFPXJPYTD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004937
Cc1ccc2-c(cc1C)cc(c2C)C	PC-id_145268835	184.277	SBWWTHZCEXKJJH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004938
Cc1cccc2-c(c1)ccc2C(C)C	PC-id_53673126	184.277	BBHAXSGGUHGJDK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004939
Cc1ccc(c2-c(c1)c(C)cc2C)C	PC-id_144405413	184.277	ZADDZGUUSIREMU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004940
Cc1cc(C)cc2-c(c1)c(C)cc2C	PC-id_101670329	184.277	QFQLXEBERFAQJZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004941
CCc1c2-c(c(cccc2C)C)cc1	PC-id_134995054	184.277	ATKLKKLILQLDAT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004942
C(Cc1cc2-c(c1)ccccc2)(C)C	PC-id_71420583	184.277	DZCNBZDNTITKRT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004943
CCc1cc2-c(ccc2C)c(cc1)C	CHEBI:3573,LipidBank_75237,CHEMBL495665,PC-id_10719,OSADHI_3368,LipidBank_33131,NP_7991,HMDB0036470,UNPD150706,NP_4599,LI_14211,EMOLS-id_31265310	184.277	GXGJIOMUZAGVEH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004944
CCc1cccc2-c(c1)c(C)c(c2)C	PC-id_142709145	184.277	SJAXSHBLTDDWMT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004945
CC(c1ccccc2-c1ccc2)(C)C	PC-id_140042002	184.277	MONXCVJPZPCAID-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004946
C(CCC)c1ccc2-c(cc1)ccc2	PC-id_85970812	184.277	MJMSZIBYLKPUOZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004947
O=C1CCCSc2c1ccs2	SCHEMBL10513879,PC-id_13911625	184.279	CMEVPDGGHYOFHK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004948
O=C1CCCSc2c1scc2	SCHEMBL10514854,PC-id_20194717	184.279	ZUVMMORKQRPIBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004949
S1(=O)CCc2c(C=C1)csc2	PC-id_24972660	184.279	HZROOZYCMYGFGO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004950
NC1=NCCSc2c1scc2	SCHEMBL8216378,PC-id_10154347	184.282	DEDBHNHCZKRZHU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004951
S1CCCc2sccc2CC1	PC-id_12383586	184.322	OCSHOMZNVDFIEA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004952
Sc1cc2c(s1)CCCCC2	PC-id_144012893	184.322	FURUVTUOWNYPPF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004953
Clc1c(C)cc2n1CCNCC2	PC-id_96854207	184.666	HFOTWAMNCALEFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004954
Clc1n(nc2CCCCCc12)C	PC-id_66020314,EMOLS-id_41629962	184.666	CITGBVHPFZKBFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004955
Clc1nn(c2CCCCCc12)C	PC-id_83846943	184.666	RURNHIZSGSUICG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004956
ClCc1[nH]nc2CCCCCc12	EMOLS-id_96528731,PC-id_91811756,EMOLS-id_302090009,MCULE-8809670912	184.666	IMLTYYAFVXFAMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004957
Cl[C@H]1CNc2c(C(C1)C)cc[nH]2	SCHEMBL18629197	184.666	FMZJLQAMPLUMMT-COBSHVIPSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004958
C1C=CC2=C(C=CN2O)SS1	PC-id_154204653	184.997	FTXUZEKZBWVDSB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004959
C1=CC=C2C=CC(=C2C=C1)CC(=O)[O-]	PC-id_150105665	185.061	DWEMMGUDIGPPPE-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-004960
CC1=CC2=CC=CC=CC2=C1C(=O)[O-]	PC-id_154227592	185.061	JOWUSBDLSYTMKV-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-004961
C[C@@]1(CCOC2=CNC=C2O1)P	PC-id_164063941	185.061	WJHXNARILADKCG-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004962
C1CCOC2=C(C=NN2C1)SN	PC-id_153589919	185.062	BJOZGIHHXVLGOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004963
C1CNCC(C2=NN(C=C21)S)O	PC-id_154685692	185.062	DIJSHNKUDPXFGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004964
O=C1NCCNc2c1n(P)nn2	PC-id_142224404	185.124	SLRYPMARACAPDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004965
O=Cc1c(C=O)nc2-c1ccccc2	PC-id_101439653	185.179	SLMOALMFXNMWMT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004966
C(C#C)Nc1cncc2-c(n1)nnc2	PC-id_135674269,SCHEMBL11650752	185.185	CBKMPZNMXWRYRS-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-004967
c1(NC(=O)C)ccc2-c1ccccc2	PC-id_2826851,ZINC22_4947417,MCULE-2525013211,CNP0029340,EMOLS-id_20859301	185.222	OPTYZGOQGODAGF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004968
CC(=O)c1ccc2-c(cc1)cc(c2)N	PC-id_121006728	185.222	RXBCNNQHKHBJNR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004969
Nc1cc2-c(c1)cc(ccc2)C(=O)C	PC-id_121006727	185.222	WHDSCDFWGSARQR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004970
NC(=O)c1cc2-c(c1C)ccccc2	SCHEMBL7311563,PC-id_53808025	185.222	FNCJQYAXKFHNMY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004971
NC(=O)Cc1ccc2-c1ccccc2	PC-id_23273811,SCHEMBL7311559	185.222	YUPYZRDZGWEPOD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004972
O=C(N)c1c2-c(c(c1)C)ccccc2	PC-id_19840217	185.222	LQXZMKXABLJARL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004973
O=C(N)c1c2-c(cc1C)ccccc2	PC-id_603838	185.222	OZIKVYHPEYGDBM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004974
O=C(Nc1cc2-c(c1)ccccc2)C	PC-id_10330044	185.222	MDSSFBYPYSVTIN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004975
O=C(Nc1ccc2-c(cc1)ccc2)C	PC-id_10631384	185.222	TUQBSDLSNBDKAS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004976
O=C(NC)c1c2-c(cc1)ccccc2	PC-id_45118089	185.222	DVSCVHHNIKUUFC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004977
O(N=Cc1c2-c(ccc2)cccc1)C	PC-id_86112831	185.222	RFVCDPPMNDXURO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004978
Cc1cccccnc2c(c1)cn[nH]2	PC-id_144007444	185.225	MANYIWHDEKCLHR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004979
n1c2-c(ccccc2C(=C)C)nc1N	PC-id_14948670	185.225	HPVYJLVKTVWLOF-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-004980
Nc1nc2-c(n1)cc(ccc2)C(=C)C	PC-id_121219890	185.225	KNZVMMFLJLQJPP-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-004981
N#CC1=CC=CCc2c1cnn2CC	PC-id_143148038	185.225	PBXKNZOPWFFAEW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004982
N#CC1=CC(C)(C)C=c2c(=C1)cn[nH]2	PC-id_145497359	185.225	HHMCLOXJMXJKKW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-004983
PN1CCc2c(CC1)ccs2	PC-id_143164804	185.226	DOZKWZKPEFEPIV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004984
PN1CCCCc2c1ccs2	SCHEMBL19454435	185.226	XJALAWAMVBNHPK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004985
N#Cc1cc2=CC=C=C(C=c2s1)C	SCHEMBL18433473	185.245	ILWKAIYXLLUPHQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004986
S(c1c2-c(cc1)ccccc2)C#N	PC-id_24972850	185.245	ZXYHASYVZIGCGJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004987
S=C=Nc1cc2-c(c1)ccccc2	PC-id_85864890	185.245	WBCONSZXWWSFIB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004988
Fc1nc2CCCCCCc2s1	PC-id_99989051,EMOLS-id_49866206,MCULE-2095358727	185.262	XEWRLQUEOMGPPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-004989
s1c2C(CCNCc2cc1)CF	PC-id_71306194	185.262	JFWVHPVKVJTRGE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-004990
Cc1cccc2-c(c1)ccc2C(N)C	PC-id_57833730,SCHEMBL13680766	185.265	VKILSKMOGBFMID-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004991
Cc1n(C)c2c(c1C)C=CC=CC=C2	PC-id_142616600,SCHEMBL20850690	185.265	GCASXXLZWVFSPE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004992
C=c1[nH]c2c(c1=C)C=CC(C=C2)(C)C	PC-id_141817673	185.265	FNZIYPQIZCOIEU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004993
CC(c1c[nH]c2c1C=CC=C=C2)(C)C	SCHEMBL19262279	185.265	YJMOCNSQWCFXTR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004994
C/C=Cc1c[nH]c2c1C=CC(C=C2)C	SCHEMBL20685599,PC-id_137447198	185.265	SBPUHBJMDWAIKF-ARJAWSKDSA-N	00000000100000000110000000000010000000000000000000000000	31-01-004995
CC(C)(C)c1cnc2-c1ccccc2	PC-id_137216828	185.265	MYUZOTUTKUAUPU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004996
n1c(C(C)(C)C)cc2-c1ccccc2	PC-id_11735576	185.265	TZKKCXDCYOEOLX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004997
N(c1c2-c(ccc(c1)C)ccc2)(C)C	PC-id_85898920	185.265	NSZHZLXNCHFDCN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004998
Nc1c(c2-c(c1C)ccc(cc2)C)C	PC-id_54430059	185.265	WGVTTXDPQJDNFH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-004999
N(Cc1c2-c(cc1)ccccc2)(C)C	PC-id_14043866	185.265	NIFURVQURQLXPM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005000
N(C(C)C)c1cc2-c(c1)ccccc2	PC-id_85886104	185.265	HYIZHNJZGHQWLZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005001
c12ccsc1SCCNC2=O	EMOLS-id_42974767,SCHEMBL8991845,ZINC22_5949506,PC-id_4365942,MCULE-9276220871	185.267	ZDUUGJVJFSJHKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005002
O=C1CCSc2ccsc2N1	EMOLS-id_277190817,MCULE-4244536137	185.267	UIKHQEPCIICNJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005003
O=C1NCCSc2c1scc2	PC-id_11469493,SCHEMBL9336180	185.267	NYLKZRGPMIPVSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005004
s1c2c(OCCNC2=S)cc1	PC-id_85717788	185.267	BOGIHRQLWQQZFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005005
s1c2OCCNC(=S)c2cc1	PC-id_85717781	185.267	MAKRRKOYUVOYFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005006
s1cc2c(OCCNC2=S)c1	PC-id_85717785	185.267	DYDAKDRRKLWTHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005007
S1CCC(=O)Nc2c1scc2	PC-id_14943689	185.267	OFFAFUGYWPWHDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005008
S1CCNC(=O)c2c1csc2	PC-id_85717717	185.267	IWVSOMNOUDPEOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005009
Cc1nn(c2c1CCSCC2)C([2H])([2H])[2H]	PC-id_145769749	185.304	ZOMVQNMSHBXWCA-BMSJAHLVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005010
s1c2CCCCCc2nc1S	PC-id_12621669,MCULE-3843323317	185.31	IEKFBQIZEBMGJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005011
Clc1oc2CCNC(=O)Cc2c1	PC-id_84660315	185.608	RYJUEYMOFBEITO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005012
Clc1oc2C(CCNCc2c1)C	PC-id_83684348	185.651	SWCYSGRIGIHFKE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005013
Clc1oc2c(C(NCCC2)C)c1	PC-id_83684349	185.651	NUWXPJCNODLEKT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005014
ClCc1c2c(CCCCC2)on1	MCULE-6736295859,EMOLS-id_96533260,PC-id_80463414	185.651	VLFUDBLNXYNUBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005015
Cc1nc(n2c1CNCCC2)Cl	PC-id_145538831	185.654	IABWOFDWLIUNFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005016
ClCc1nnc2CCCCCn12	EMOLS-id_301169523,MCULE-9369845158,PC-id_66489687	185.654	WEJVBYRWGNPQGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005017
C1=CC=C2C=CC(=C2C=C1)[SiH2]C=O	PC-id_148242543	186.05	UBTIYOPLLPIONZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005018
C1=CC=C2C=C(N=C2C=C1)CC(=O)[O-]	PC-id_154476659	186.056	YBEQSHYUJJKJCE-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-005019
C1CN(CCC2=C1C(=O)NO2)P	PC-id_154685725	186.056	UZZOMJRANZRIOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005020
CC(C1(C)C=Cc2c(C=C1)bn[nH]2)C	PC-id_144276080	186.061	HJMKITUETLLBGZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005021
O=C1NCCOc2c1n(P)nn2	PC-id_142224343	186.108	CJVQQFCZEOFVIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005022
CC1=CC2=C(C=NN2)C(C=C1)(C)C=C	PC-id_163896390	186.116	QFZIYZOFMHEECL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005023
[2H]CC1=C2C=CC(=C2C(=CC=C1)C[2H])CC	PC-id_153854679	186.138	ATKLKKLILQLDAT-PBNXXWCMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005024
O=C1OC(=O)Oc2c(O1)csc2	SCHEMBL9043268	186.142	PTHAHUZOIFICAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005025
O=C1OC(=O)Oc2c(O1)scc2	SCHEMBL9412277	186.142	OJGODBZRDVWVST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005026
O=c1oc(=O)oc2sc(o1)cc2	SCHEMBL7520252	186.142	UBSWNFGSLMIZLJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005027
c1cc2c(c(=O)cc1)[nH]c(c2C#N)O	PC-id_137219254	186.167	PZPUZFKSSSQRKY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005028
o1c2c(c(c1N)C#N)ccc(=O)cc2	PC-id_85623507	186.167	YBKCHENVPMOOJU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005029
c1ccc2-c(ccc2C(=O)OC)cc1	SCHEMBL5700615,CNP0068310,SPECS-id_AT-225/JK19614,MCULE-4998552523,TIMTEC207233,ZINC22_154482,PC-id_3693997	186.207	HZDXGIMPRKMFDE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005030
Cc1ccc2-c(cc1)cc(c2)C(=O)O	SCHEMBL7823500,PC-id_57055895	186.207	VYIQCKXWBWMWSP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005031
CC(=O)c1cc2-c(c1O)ccccc2	PC-id_102018735	186.207	BYEHATYYZITQNN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005032
CC(=O)Oc1cc2-c(c1)ccccc2	PC-id_121006598	186.207	XRECQXKLZAWCDP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005033
CC(=O)Oc1ccc2-c(cc1)ccc2	SCHEMBL4960001,PC-id_12858521	186.207	XXIASJVGYJGMFS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005034
COc1cc(c2-c1ccccc2)C=O	SCHEMBL17229426	186.207	XNWUPQMRUFEEAJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005035
COC(=O)c1ccccc2-c1ccc2	PC-id_144160258	186.207	GGYKLTOERSZHON-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005036
Oc1ccc2-c(cc(c2C=O)C)cc1	PC-id_85667445	186.207	KKNOEGNIMGVMGE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005037
O=C(c1c2-c(cc1)ccc(O)cc2)C	PC-id_86148597	186.207	PFCALDANBQOJAL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005038
OC(=O)c1c2-c(c(c1)C)ccccc2	PC-id_13924938,SCHEMBL9534481	186.207	FZZVRWQKRNCMBP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005039
OC(=O)c1c2-c(cc1C)ccccc2	SCHEMBL10729814,PC-id_15195188	186.207	JOWUSBDLSYTMKV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005040
O(C(=O)c1cc2-c(c1)ccccc2)C	PC-id_12121405	186.207	QIIMNRLVMLMOMO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005041
O(C(=O)c1cc2-c(ccc2)ccc1)C	PC-id_15356217	186.207	LJDMYRNJYQKQFD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005042
O=C(O)c1ccc2-c1ccccc2C	UNPD66518,CNP0197682,PC-id_92014708	186.207	GIIAQRGVDJDTLD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005043
O(C(=O)c1ccc2-c(ccc2)cc1)C	PC-id_15356218	186.207	NJHREQHBKHAYTE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005044
OC(=O)c1ccc2-c(cc(c2)C)cc1	PC-id_85895215	186.207	UYZKFVYQDWBCKC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005045
OC(=O)Cc1c2-c(cc1)ccccc2	SCHEMBL8645744,PC-id_12079319,MCULE-8392444359	186.207	DWEMMGUDIGPPPE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005046
OC(=O)Cc1ccc2-c(cc1)ccc2	PC-id_122403810	186.207	XLHFKAYZTIUPLQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005047
C=CCc1nc2c([nH]1)c(=O)cccc2	PC-id_67799658,SCHEMBL9228130	186.21	SLKJOZDOPHZRCA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005048
C=CCn1c(=O)nc2-c1ccccc2	PC-id_121217845	186.21	ZDPSWUYGUKHAMD-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005049
N#Cc1c(C#N)oc2c1CCCCC2	PC-id_121005879	186.21	CLMPVYOVLDJTAG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005050
N#Cc1nc2c(o1)C=CC(C=C2)(C)C	PC-id_143791242	186.21	ZCCSVHKNLCDMJG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005051
O=Cc1c2-c(n(c1=N)C)ccccc2	PC-id_15141516	186.21	SVRVYZFDVUGAHR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005052
O=C(NN)c1c2-c(cc1)ccccc2	PC-id_45118106	186.21	SPAJMVRVTLHNPU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005053
n1c2-c(c(c1N)C=NN)ccccc2	PC-id_85634819	186.213	NLWMUOZMUJDYRY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005054
N/N=Cc1c(N)nc2-c1ccccc2	PC-id_101616820	186.213	NLWMUOZMUJDYRY-MLPAPPSSSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005055
C1C(COc2cscc2O1)CO	SCHEMBL15326954,PC-id_89857167	186.228	KPUHBZKDYLABOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005056
CC1(O)COc2c(OC1)csc2	PC-id_142739302	186.228	KSRQHSBMSYXIAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005057
COC1CCOc2c(O1)csc2	SCHEMBL17853288,PC-id_121422651	186.228	QEWGMBCDHXQTQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005058
COC1COc2c(OC1)csc2	SCHEMBL14781421,PC-id_89441734	186.228	NDSPOFFOKYDPPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005059
O1CCOc2c(OCC1)csc2	SCHEMBL14587292,PC-id_58807327	186.228	TVELHPABJYRNDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005060
OC1CCOc2c(OC1)csc2	PC-id_22590341,SCHEMBL5730275	186.228	QBISWZSOWBFUQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005061
OCC1CCOc2c(O1)csc2	PC-id_22590344,SCHEMBL5729433	186.228	RXMVGVCCISDWNH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005062
C1Cc2c(CSC1)n(c(=O)[nH]2)O	PC-id_137399522,SCHEMBL20631158	186.231	PGPDEAHGWUGNRR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005063
C1Cc2cncn2CS(=O)(=O)C1	SCHEMBL20674574,PC-id_137437695	186.232	YSSLWUFIVDYCPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005064
S1(=O)CCc2c(onc2N)CC1	PC-id_83483232	186.232	HRVORUYISUSGDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005065
CCc1ccc2-c1c(OC)cccc2	PC-id_10352417,SCHEMBL9876094	186.25	SVLMVVJUQWVHEQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005066
CC(CO)c1c2-c(ccccc2)cc1	PC-id_91999685	186.25	STBURMJCTJQGGE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005067
COc1cc(C)c2-c(c(c1)C)ccc2	SCHEMBL9748717,PC-id_23270131	186.25	WQLIRTJMAPFXDR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005068
Oc1c2-c(cc(C(C)C)ccc2)cc1	PC-id_86019067	186.25	MAFAIZJYKONGCR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005069
O(c1ccc2-c(ccc2CC)cc1)C	PC-id_86148589	186.25	MRHRORYMJZBBRY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005070
Oc1ccc2-c(ccc2CCC)cc1	PC-id_86148585	186.25	YVPAROCZCWLJLU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005071
OCc1c(c2-c(c1)ccc(cc2)C)C	PC-id_14961863	186.25	RGPINRBBAXHTED-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005072
O(CCc1c2-c(cc1)ccccc2)C	PC-id_15316635	186.25	FPIODUHOLLXMAU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005073
OCCc1c2-c(cc1)ccc(cc2)C	PC-id_85856827	186.25	VNDUJJSHTRQWGR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005074
OCCc1c2-c(cc1)c(cccc2)C	PC-id_85915654	186.25	MYMGOHOCRFNOLF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005075
OCCc1c2-c(cc1)cc(ccc2)C	PC-id_85915794	186.25	ZYBLGFFIOOSNHC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005076
OCCc1c2-c(cc1C)ccccc2	PC-id_14545180	186.25	NYXMBVOOAPKNEB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005077
OCCc1c2-c(c(c1)C)ccccc2	PC-id_85856815	186.25	KAZUYRGBQYQJDE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005078
OCCCc1cc2-c(c1)ccccc2	PC-id_14545184	186.25	YLRGSPJZACJCDI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005079
Cc1cccc2-c(c1)ncc2C(N)C	SCHEMBL13680767,PC-id_57833852	186.253	WSXFNCIICGGCDS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005080
Cc1cc(cc2-c(c1)ncn2)C(C)C	PC-id_121010552	186.253	FMRSAPLRKICCEC-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005081
Cc1c([nH]c2c1ccccc2=NC)C	PC-id_137219467	186.253	QSUFODCMBRHAQX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005082
CC(c1ccc2-c(cc1)ncn2)(C)C	PC-id_121007910	186.253	GUVFEAIPSVMVJP-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005083
CC(C1=CC=c2c(=CC=C1)cn[nH]2)C	PC-id_137306063,SCHEMBL20193910	186.253	QXFONQPMLYVPDE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005084
CCc1c[nH]c2c1ccccc2=NC	PC-id_137190306	186.253	WMLJGGTURYKFMR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005085
CC(c1[nH]c2=CC=CC=CC=c2n1)C	PC-id_146032469,SCHEMBL20643769,PC-id_137410710	186.253	ZVZGKBQJHDJHHW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005086
CCCCc1nc2-c(n1)ccccc2	PC-id_20077156,SCHEMBL7441513	186.253	TWSHKCBUVXPOHS-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005087
CC(C)n1cnc2=CC=CC=CC=c12	PC-id_90771815	186.253	IXQKJTRGJOOSJC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005088
N/C=C
/C=CC=Cc2c1[nH]cc2CC	PC-id_121001150	186.253	QNWGFCVFOUYMMM-YFHOEESVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005089
N(C(C)C)c1nc2-c(c1)ccccc2	PC-id_15210845	186.253	LIBWTCAGJBLBKW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005090
[n+]1(c(c2-c(c1C)ccc(cc2)C)C)C	PC-id_21205915	186.273	IKSJNLLTMWJIJG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005091
CC1CCSc2c(O1)csc2	PC-id_143515443	186.294	UIMZTJQNCKCJMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005092
OC1CCCSc2c1scc2	SCHEMBL10798603,PC-id_13911644	186.294	VTNQEYHVSKKMBO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005093
S1CCCSc2n[nH]c(c12)C	PC-id_86216249	186.298	GKTUCTBUJNTWEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005094
C1CCn2c(c(c(n2)Cl)N)NC1	SCHEMBL1072773,PC-id_136414928	186.642	JAJUYYIZNGQHTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005095
C1=CC=C2C=CC(=C2C=C1)C(=O)[S-]	PC-id_154064946	187.022	NIXWEQZPUWFGRK-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-005096
C1=CN2C(=CC=C2C(=O)[O-])C=CN=C1	PC-id_154015282	187.051	MTHYGVXOKWAOAN-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-005097
C1=CC(=CC2=CC=NC2=C1)CC(=O)O	PC-id_162178470	187.063	ZORZJXHCVCKHHQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005098
Cn1c(=O)c2=c(c1=O)cccccc2	PC-id_163878137	187.063	PQSFMRZSNXVRRS-UHFFFAOYSA-N	00000001100000000110000000000010000000000000000000000000	31-01-005099
C1=CC=CC2=C(C=C1)C(=NN2)C(=O)N	PC-id_141172619,PC-id_154001010	187.075	NEGAIKCMOMCCPG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005100
C1=CN2C(=CC=C2C(=O)N)C=CN=C1	PC-id_154015279	187.075	UXBQHRSCJDCQLI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005101
C/C=C/C1=NC2=C(O1)C=CC(C=C2)C	PC-id_154662575	187.1	ZFDLQHDWUSZEMZ-ONEGZZNKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005102
FC1(F)CCCCCc2c1n[nH]n2	PC-id_122204653	187.19	OJTIHBZKQLHWMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005103
Cc1cc(c2-c1ccccc2)[N+](=O)[O-]	PC-id_121216313	187.195	ROZCAKMLBVXDNL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005104
CC(=O)c1c(=O)[nH]c2-c1ccccc2	PC-id_10352434,SCHEMBL11274279	187.195	NCHSDYMHAWPQJP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005105
O=Cc1[nH]c(c2c1ccc(=O)cc2)C	SCHEMBL13324758,PC-id_59301632	187.195	RYHKMNMHRSKCNJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005106
O=C(NO)c1c2-c(cc1)ccccc2	PC-id_54184294	187.195	PEAHDVKWSNZAKI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005107
OC(=O)c1c(N)cc2-c1ccccc2	PC-id_139642161	187.195	IFKZQSDZAOECBW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005108
OC(=O)Cc1c2-c(ccn2)cccc1	SCHEMBL10639318,PC-id_20229471	187.195	INIGEVPHKBUTIS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005109
OC(=O)Cc1cc2-c(n1)ccccc2	PC-id_141541851	187.195	YBEQSHYUJJKJCE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005110
OC(=O)n1cc2c(c1)C=CC=CC=C2	PC-id_142627549	187.195	ACXMMYXIAFATFN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005111
c1ccc2-c(c(c(=O)[nH]2)/C=NN)cc1	PC-id_137219471	187.198	CSNDRQLOSHSHNS-SDQBBNPISA-N	00000010100000000110000000000010000000000000000000000000	31-01-005112
c1ccc2-c(c(c(=O)[nH]2)/C=N/N)cc1	PC-id_137275605	187.198	CSNDRQLOSHSHNS-WUXMJOGZSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005113
N#CC1CC=Nc2c(C=C1)nc(o2)C	PC-id_101996761	187.198	FSDFBJLTBAMHRE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005114
N#C[C@@H]1CC=CC=Nc2c1nc(o2)C	PC-id_101996758	187.198	LIUNPVHMCNBLMH-QMMMGPOBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005115
O=C(c1c2-c(nc(n2)N)cccc1)C	PC-id_12909228	187.198	NNDCNMRPUKSQML-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005116
O=C(c1cc2-c(nc(n2)N)ccc1)C	PC-id_604446	187.198	KAJVFYZCKRTFCW-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005117
CC1=Nc2c(C#N)ncn2N=C(C)C1	PC-id_382626,ZINC22_5501497,NSC670267,CoCoCo_5736738	187.201	DJGSKPIYTNUABV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005118
C#CCNC1=CN=Cc2c(N1)[nH]nc2	PC-id_136082438	187.201	JNVFJXKSXVBRRE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005119
Cc1c(c2-c(ccccc2)[o+]1)C(=O)C	PC-id_85929981	187.215	PWRJOVHENCCOOA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005120
S1(=O)(=O)CCCNc2c1[nH]nc2	PC-id_83817675	187.22	GZYBADUMZMCJKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005121
Cc1c2ccc(=O)ccc2c(C)n1C	MCULE-5224525703,CoCoCo_6598063,ZINC22_4263156,PC-id_143439,EMOLS-id_5480260,CB6211676	187.238	LXIPJXZIVRJLCM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005122
CCC(C1=c2ncoc2=CC=C=C1)C	PC-id_145127788	187.238	GZMLYCVUKJAUFD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005123
CCC(C1=c2ocnc2=CC=C=C1)C	PC-id_145127702	187.238	JDBOYEIGURNPTJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005124
CCC(C1=C=Nc2c(C=C1)occ2)C	PC-id_138722250,SCHEMBL21100622	187.238	YYANSDZBZOLLPT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005125
C#CCn1cc2c(c1)CCCCC2=O	PC-id_83207173,EMOLS-id_114497335	187.238	SCXKZKGHZWRLOG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005126
CC(=O)Cc1c[nH]c2c1C=CCC=C2	PC-id_143096422	187.238	NUAGKQLIYFFELK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005127
O=c1c(cc2c(cn(c2)C)cc1C)C	PC-id_13464304	187.238	JHYVVEWGLYCIQR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005128
O=c1c(cc2n(ccc2cc1C)C)C	PC-id_21827910	187.238	NWZDIQWWQXVJAA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005129
O=c1n(c2-c(c1C)ccc(cc2)C)C	PC-id_10943212	187.238	BUPNEDNELGNYFR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005130
O=c1n(C(C)C)c2-c(c1)ccccc2	PC-id_14810431	187.238	NFJRCUATJZINFL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005131
O=c1[nH]c2-c(cccc(c2)C(C)C)c1	PC-id_10352440	187.238	KOYJWWKPGUZIAF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005132
O(C(C)C)c1nc2-c(c1)ccccc2	PC-id_14810435	187.238	VRPUGTYPJSHQCX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005133
CC1C=Cc2c(C=C1)nn(n2)C(=C)C	PC-id_145321309	187.241	UKXBZPWJQWFAHF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005134
n1c2-c(ccccc2C(C)C)nc1N	PC-id_14948667	187.241	AITCJWVXDSBWIS-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005135
n1c2-c(cccc(c2)C(C)C)nc1N	PC-id_85922991	187.241	WXZYGAXFKOZNAZ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005136
n1(N)c2-c(cc1=NCC)ccccc2	PC-id_5251908	187.241	HIOXMHASHHFBGO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005137
s1c2c(nc1)cccccccc2	PC-id_86046938	187.261	JYOOVHDJQRRMLE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005138
CC1=Cc2[nH]cc(c2C(=CC1C)C)C	PC-id_143554638	187.281	AQMUWWZORIFPDB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005139
CC1C=Cc2c(C(=C1)C(C)C)[nH]cc2	PC-id_142558193	187.281	ATCQPDITZKUKQV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005140
CC1C=CC(C)(C)C=Cc2c1cc[nH]2	PC-id_142458879	187.281	FGISTUGHUZCPSV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005141
CCC1=c2[nH]c(c(c2=CCC=C1)C)C	PC-id_143482300	187.281	LUGYWXWORXZROW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005142
CC(C1C=CC=c2c(=C1)n(C)cc2)C	PC-id_89595395,SCHEMBL14985352	187.281	YPIXFSSKKMLHSE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005143
CC(C1(C)C=Cc2c(C=C1)cc[nH]2)C	PC-id_139482994,SCHEMBL21350051	187.281	WUJZSXZVBOTKMQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005144
CC(C1=CC=CCc2c1[nH]cc2C)C	PC-id_144034798	187.281	CMHWPJODVDYWML-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005145
CC(C1(C)C=CC=c2c(=C1)cc[nH]2)C	PC-id_144344725	187.281	VHJPUSWYITUVEE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005146
CCn1ccc2c1C=CC(C=C2)(C)C	PC-id_142138675	187.281	UYCISLOFYNPXAU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005147
CC(n1ccc2=CC=CCC=c12)(C)C	PC-id_142923344	187.281	POAHREQDFNJQFM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005148
CCn1c(C)cc2c1CC(=CC=C2)C	SCHEMBL19135848	187.281	UYKGSLSBANIZBM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005149
C#Cc1c(Cl)nc2-c1ccccc2	PC-id_102074474	187.625	DDSRCWZVHNFHQB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005150
Clc1ccc2-c(ccc2C#N)cc1	PC-id_10583758	187.625	OTFUBVPWXOJAPM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005151
ClCc1n2c(CCOCC2)nn1	MCULE-7870630663,PC-id_121597562,EMOLS-id_313484914	187.627	LDSIOEWUNRVSTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005152
ClCc1nnc2n1CCCOC2	PC-id_121597522	187.627	HYWMJLZIIQGWQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005153
Clc1c2CCNCCc2sc1	SCHEMBL2991516,PC-id_55264872	187.69	GTEPTIDVSQWXRJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005154
Clc1cc2c(s1)CCCNC2	SCHEMBL3586535,PC-id_68703402	187.69	MLYIIICSFAJHRR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005155
Clc1cc2c(s1)CCNCC2	PC-id_11694031,SCHEMBL3004190	187.69	ZHIUIUIKCXHLKW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005156
Clc1nc2CCCCCc2s1	EMOLS-id_39469511,PC-id_9942345	187.69	KAEIHGMOPYMKAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005157
Clc1sc2c(CCCNC2)c1	PC-id_83679208	187.69	GZBYWNRWPXOWDF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005158
Clc1sc2CCCCNc2c1	PC-id_83817764	187.69	KLFZKRJMZHQOKO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005159
ClN1CCCCc2c1ccs2	SCHEMBL19454438	187.69	FSLGHCBAANDWLO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005160
C1=CC=CC2=C(C=C1)C(=NN2)C(=O)O	SCHEMBL3517469,PC-id_87537020,PC-id_152748960	188.059	KSUQAFKBHILJIG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005161
C1=CN2C(=CC=C2C(=O)O)C=CN=C1	PC-id_154015281	188.059	MTHYGVXOKWAOAN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005162
C1=CN=CC2=CN=CC2=C1C(=O)NN	PC-id_153935277	188.07	ZPDSQPHSJBLZEM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005163
CC1(C=CC=C2C(=C1)NN=C2C=O)C	PC-id_155155522	188.095	PXFLEOQUEIZXLA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005164
CC(C)C1=CC=CC2=NC(=O)NC2=C1	PC-id_154146277	188.095	ABVROIRTWSQDIP-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005165
CC1=CCC2=C(C=C1)N(N=C2)C(C)C	PC-id_155073271	188.131	MFQWBCVKXHDXBH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005166
CC(C)C1(C=CC2=CC=NN2C=C1)C	PC-id_153354450	188.131	LYTZXMVXPCNDND-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005167
CC(C)C1(C=CC=CN2C1=NC=C2)C	PC-id_164876486	188.131	RUJUKFLLLHECBM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005168
c12-c(ccccc1)oc(=O)c2C(=O)C	PC-id_5324003,MCULE-5700050823,SCHEMBL8407323,ZINC22_19909050	188.179	BJIJSMSRDUPLIK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005169
O=CC1=Cc2cocc2C=C(C1)C=O	PC-id_102030222	188.179	ZZITVHGBQMFYEK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005170
OC(=O)c1c(O)cc2-c1ccccc2	PC-id_102298844	188.179	DHHOLAUDKFSILK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005171
C1C=c2[nH]cc(c2=CN=C1)C(=O)C=O	PC-id_142081960	188.183	BWKGCPCDGVMQNM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005172
c1ccc2-c(c(c(=O)[nH]2)/C=NO)cc1	PC-id_137219472	188.183	ZRPATXGIKWBSOX-WDZFZDKYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005173
c1ccc2-c(c(c(=O)[nH]2)/C=N/O)cc1	PC-id_137262264	188.183	ZRPATXGIKWBSOX-IZZDOVSWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005174
Nc1ccc2-c1cccc(c2)[N+](=O)[O-]	PC-id_100950031	188.183	BCPKTZIAMUVVHV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005175
Nc1cccc2-c(c1)ccc2[N+](=O)[O-]	PC-id_100950032	188.183	OCIJFGFCGOXVKT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005176
o1c2CC(C(=O)NC=Cc2cc1)C#N	PC-id_10679152	188.183	OOBSPUQMTZPIBL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005177
OC(=O)c1c2-c(nc1N)ccccc2	PC-id_45089183	188.183	GBCOBUVQXBTMIJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005178
OC(=O)C1=c2[nH]c(=C)nc2C=CC=C1	SCHEMBL4792025	188.183	HXQBWMXMDMLLGL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005179
OC(=O)C1=CC=CC=c2c1nc(=C)[nH]2	PC-id_69192423	188.183	CJIJLKCILOPQME-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005180
OC(=O)c1[nH]c2c(n1)C=CC=CC=C2	PC-id_143348443	188.183	ZZPQDFGQMSSANP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005181
OC(=O)C=c1nc2c(=CC=CC=C2)[nH]1	PC-id_69193429,SCHEMBL4794140	188.183	IYMYPOSBCZYACX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005182
OC(=O)Cc1nc2-c(n1)ccccc2	PC-id_54289116	188.183	RWGHKAAHHCJEKG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005183
N#CC1=CN=C([C@H](c2c1n[nH]n2)C)N	PC-id_142042110	188.189	SNVQETSYKIBPDE-BYPYZUCNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005184
Cc1cc2c(cccco1)oc(c2)C	SCHEMBL20366436,PC-id_135211111	188.222	MLJCEYSAVHPFLJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005185
CC1C=Cc2c(C=C1)cc(o2)C(=O)C	PC-id_143769698	188.222	UJSXSDRYEIDOAB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005186
Cc1cc(C)c2-c(c(c1)C)cc(=O)o2	NSC291560,PC-id_324821,CoCoCo_5579748	188.222	SCYHRIRGAZRVCJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005187
CC1=CC(=C)C=Cc2c(O1)oc(c2)C	PC-id_143692475	188.222	VULOHIXAEQQTHQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005188
CC(c1cc2c(o1)c(=O)cccc2)C	PC-id_101994745	188.222	SKIOFTCLTWYALW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005189
CCCc1c(=O)oc2-c1ccccc2	PC-id_140986558	188.222	BIJBZVPEATYUGA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005190
o1c2-c(ccc(C(C)C)cc2)cc1=O	PC-id_14928226	188.222	AAPNFVMCHBPNOD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005191
o1c2-c(cc(C(C)C)ccc2)cc1=O	PC-id_15082596	188.222	YRAGMCFEFZOYPS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005192
o1c2c(c(c(=O)c(cc2cc1)C)C)C	PC-id_85911948	188.222	NNUBRGMHWYAQOG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005193
O(c1c2-c(ccc2)cccc1)CCO	NSC716774,PC-id_402618,CoCoCo_5785215	188.222	AHQGWIWQJFYMOG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005194
O(c1c2-c(c(O)c1)ccccc2)CC	PC-id_85768104	188.222	MFQMFOSJRFJVJC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005195
O(c1cc2-c(c1)ccc(O)cc2)CC	PC-id_85903447	188.222	IETRIYXCXIZIQV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005196
O(c1cc2-c(c1)ccc(OC)cc2)C	PC-id_85903453	188.222	OHQWCRRJDOOMAC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005197
OCc1c2-c(c(c1)CO)ccccc2	PC-id_44552059	188.222	VNNDNBDOHDRBQH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005198
CC1C=CC=c2c(=C1)nc([nH]2)C(=O)C	PC-id_141840666	188.226	JCBHBUQTOTYICC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005199
CC(c1nc2c([nH]1)c(=O)cccc2)C	PC-id_11687025,SCHEMBL2509341,SCHEMBL12199232	188.226	PDAISCLGYXDMOW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005200
CCCc1nc2ccccc(=O)c2[nH]1	SCHEMBL4366276,EMOLS-id_89941308,MCULE-7870083253,PC-id_11586420	188.226	XISRXWWPTFOXPO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005201
CCCn1c(=O)nc2-c1ccccc2	PC-id_121218114	188.226	GDLOOUYBUDGCGO-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005202
CC(n1c(=O)nc2-c1ccccc2)C	PC-id_121218933	188.226	COMWNBQETDUSRU-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005203
CCNc1nc(c2-c1ccccc2)O	SCHEMBL19117667	188.226	XNPFSGKTLBJTNY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005204
CCN(c1noc2c1C=CC=C=C2)C	PC-id_143320983	188.226	OBOZRFIYVRHZGJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005205
N#CCn1cc2c(c1)CCCCC2=O	EMOLS-id_107537661,PC-id_83206847	188.226	LYOHYJCKQOKUKK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005206
O=c1c2n(nc(c2cccc1)C)CC	PC-id_13290627	188.226	VQIZMZUTJGNLIT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005207
O=c1c2nn(c(c2cccc1)C)CC	PC-id_13290628	188.226	DHQWSDKOBWUPRA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005208
O=c1c2n(nc(c2cc(cc1)C)C)C	PC-id_15025740	188.226	JUYZOPFDJBBPOS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005209
O=c1c2nn(c(c2cc(cc1)C)C)C	PC-id_15025742	188.226	VMIZXRCUCGXFCG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005210
O=c1c(cc2n(cnc2cc1C)C)C	PC-id_13862678,SCHEMBL9335217	188.226	CRUSRYBZBIOBOW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005211
CC1C=Cc2c(C=C1)[nH]nc2C(=N)N	PC-id_144714205	188.229	WSDYYVUUHQTTNH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005212
n1c(C(C)C)c2-c(nc(n2)N)ccc1	PC-id_46236859	188.229	QHZKPDJBYAGUKR-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005213
N(CCN)c1nc2-c(n1)ccccc2	PC-id_85672470	188.229	AQSFEXSKCHRICY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005214
N(Nc1nc2-c(n1)ccccc2)(C)C	PC-id_85672462	188.229	QIRCNFJBSHKSNL-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005215
Cc1cc(C)c2-c(c(c1)C)c(cc2)F	PC-id_101946074	188.241	SDTKUHVSJZYBFS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005216
CC(c1ccc2-c(cc1)c(cc2)F)C	PC-id_101946073	188.241	RVCHWNBSZKOGBX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005217
c1ccc2-c(c(cc2)C(=O)S)cc1	SCHEMBL1478854,PC-id_87248815	188.246	NIXWEQZPUWFGRK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005218
[n+]1(N)c2-c(cc1NCC)ccccc2	PC-id_10572299	188.249	HIOXMHASHHFBGO-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-005219
N#CCc1nc2c(s1)C=CCC=C2	PC-id_144596659	188.249	XPGPTGOGCIYMFO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005220
CC1=C(c2c(cc(o2)C)C(=CC1)C)C	PC-id_89368950,SCHEMBL14553260	188.266	JLNMRLKSDGQDRK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005221
CC1C=CC(C)(C)C=Cc2c1cco2	PC-id_142458853	188.266	JQTQFZJKHLQIEI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005222
CC1Cc2cscc2SOO1	SCHEMBL17536614,PC-id_118898641	188.267	OCZHDUHDPNSINW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005223
CC1C=Cc2c(C=C1)nc([nH]2)C(C)C	PC-id_145372041	188.269	PAUSBHMOTNKHED-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005224
CC1C=Cc2c(N=C1)[nH]c(c2)C(C)C	SCHEMBL19362523	188.269	XCCFIGIPJMQIAB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005225
CC1C=CC=c2c(=C1)nc([nH]2)C(C)C	PC-id_145537374	188.269	LTNTVHSVRBERAV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005226
CC1=CC(C)(C)C=c2c(=C1)n(C)nc2	PC-id_142411220	188.269	CBAPHXFFHKXXIU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005227
CC1=CC(C)(C)C=c2c(=C1)[nH]c(n2)C	PC-id_143261895	188.269	OMZMFGNIAMQUDG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005228
CC1=CC[C@H](Cc2c1cn[nH]2)C(=C)C	PC-id_134970185	188.269	QYUGIFGOLATEGP-SNVBAGLBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005229
Cc1c(C)nc2n1C=CC(C=C2)(C)C	PC-id_143500793	188.269	VPAQCHYCQMJJFD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005230
CC(C1C=CC=c2c(=C1)nc[nH]2)(C)C	PC-id_145130250	188.269	UPKFAPIADXUXAQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005231
CCC1(C)C=Cc2c(C=C1)cn(n2)C	PC-id_142382800	188.269	YWAKKTWIXJAXFH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005232
CC(C1(C)C=Cc2c(C=C1)cn[nH]2)C	PC-id_142144998	188.269	XRQWYFKHSYQZRW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005233
CC(C1(C)C=Cc2c(C=C1)nc[nH]2)C	PC-id_145030261	188.269	DQSMCWJCRFNDAM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005234
CC(C1(C)C=CC=c2c(=C1)nc[nH]2)C	PC-id_142447843	188.269	QKLBIHXOBUYFJH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005235
CC(C1(C)C=Cn2c(C=C1)ncc2)C	PC-id_138578379,SCHEMBL20936883	188.269	LMHYMCSFOMYDMB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005236
CCc1cnc2n1C=CC(C=C2)(C)C	PC-id_145022660	188.269	RPWLBZAXMNUFKM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005237
CCc1nn2c(c1)C(C)(C)C=CC=C2	PC-id_145476654	188.269	LTZGCKKDZUVPQL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005238
CCCC1C=Cc2c(C=C1)nc([nH]2)C	PC-id_90765215	188.269	VTNQUIPHNBMHSW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005239
C/C=CC1=C(C)NCc2n(C1)ccc2	PC-id_141891175	188.269	ZZPRSYPDJDWVEI-HYXAFXHYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005240
CC(C)Cc1nc2c([nH]1)C=CCC=C2	PC-id_91482501	188.269	TWJRSLQEFRGCIE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005241
Cn1c(C)nc2c1C=CC(C=C2)(C)C	PC-id_142254630	188.269	OUORGSWZEZXRFZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005242
Cn1c(C)nc2c1C(C)(C)C=CC=C2	PC-id_143667625	188.269	IFQDJUJSJZMILB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005243
CNCCc1c[nH]c2c1C=CC=CC2	PC-id_143040154	188.269	YBPNRQYEMTVURI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005244
n12c(CCCCC1)cc(c2)CC[N+]#[C-]	PC-id_83483580	188.269	SQHMBZCWPYJMKE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005245
NC1=CC(C)(C)C=Cc2c1[nH]cc2C	PC-id_141823411	188.269	AQMNORRWWGRHGZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005246
C=Cc1sc2c(c1C)CC=CC=C2	PC-id_142399261	188.289	MTWVYUCXSOGDKT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005247
S(Cc1c2-c(ccc2)cccc1)C	PC-id_13349657	188.289	VDTUDCUFZRTGQD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005248
C1CCSc2c(csc2)S1	CT-id_1519729,PC-id_101765607,1519729_OpenMolecule	188.333	PEKOYZJXHIZOCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005249
Clc1nc2-c(c1C#N)ccccc2	PC-id_10261891,SCHEMBL9153744	188.613	IVTPWEBLVRHEGJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005250
Clc1cc2c(s1)CCNNC2	SCHEMBL5557141,PC-id_69486666	188.678	CZOCXCNEPBWHLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005251
Clc1nc2c(s1)CCNCC2	PC-id_105443384	188.678	NSUAPBMMYFKCFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005252
Clc1sc2c(n1)CCCNC2	PC-id_84661799	188.678	QFZQBWFUPAKAEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005253
C1C=CC(=CC2=CC=CN21)NC(=O)[O-]	PC-id_154065304	189.067	ZRRHNLPWISVIQG-UHFFFAOYSA-M	00000000100000000110000000000010000000000000000000000000	31-01-005254
CC1C=Cc2c(C=C1C)cc(o2)N=O	PC-id_163653396	189.079	IODDFOKQCXCJQO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005255
CC1C=CC2=NC(=CN2N=C1)C(C)C	PC-id_153343961	189.127	WGAZRAIZOLATRW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005256
CC1C=CN2C(=CC(=N2)C(C)C)N=C1	PC-id_153343910	189.127	GMSKNOPGEHAQRL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005257
CC(C)C1(C=CC2=C(NN=C2)N=C1)C	PC-id_153597022	189.127	LIKBFAINTQGCNG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005258
CN(C)/C/1=C/C2=C(CCC=C1)NC=N2	PC-id_154932180	189.127	AQAUNCRQXWLPHT-UCFJBRMLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005259
C1=CC=Cc2c(C=C1)c(no2)C(=O)O	PC-id_91872074	189.167	NBLBXEHZRXRBGU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005260
o1c2-c(c(c1=O)C(=O)N)ccccc2	PC-id_12693496	189.167	MWKDCTCLAKLNLH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005261
O(c1cc2-c(ncc2)ccc1)C(=O)O	SCHEMBL9665778,PC-id_67901823	189.167	TUMYXZPJKAVJAH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005262
Oc1ccc2-c(ccc2[N+](=O)[O-])cc1	PC-id_10726308	189.167	VMGJFZCFUGDWOE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005263
O=c1n2c(ccc2C(=O)O)cccc1	PC-id_54168598	189.167	OTKIMVGDSXKKRO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005264
O(c1nc2-c(c1)ccccc2)C(=O)O	PC-id_70471941	189.167	ZBKSBCRBJRPSLG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005265
O=c1[nH]c2-c(c1C(=O)O)ccccc2	PC-id_10442485	189.167	CHFXPHLJAMAUCS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005266
O([N+](=O)[O-])c1c2-c(cc1)ccccc2	PC-id_23218319,SCHEMBL8698272	189.167	MLXVOJOJGZGZAU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005267
CC(=O)Oc1ncc2-c(nc1)cnc2	SCHEMBL10963485,PC-id_54041816	189.171	LMWSZIOBAYQHHH-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005268
OC(=O)C1=CC=CC=Cc2c1n[nH]n2	PC-id_118296252,SCHEMBL16993747	189.171	YLISTWMEVSHFLV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005269
CC1=Nn2cnc(c2NC(=O)C1)C#N	CT-id_2016898,2016898_OpenMolecule	189.174	RQGLVVXYDCYQHK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005270
O=CN(c1ccc2-c(nc1)nnn2)C	PC-id_141387498	189.174	MGJRYTPTFODOPN-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005271
c1ccc2-c(c(cc2)C(=O)NF)cc1	SCHEMBL12832621,PC-id_88966614	189.186	LPUKVLNKUBXMCA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005272
OC#Cc1cc2c([nH]1)CC=CC(=C2)F	PC-id_144935793	189.186	KJCMVCGQXRTNGG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005273
CC1(F)C=Cc2n(C=C1C#N)ccn2	SCHEMBL19355018	189.189	JRFZQOMFZSQVBR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005274
CC1C=CC=c2c(=C1)cc([nH]2)C(=O)O	PC-id_89302417,SCHEMBL14310357	189.211	OZOONJKAFVGUKO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005275
CC1C=CC=c2c(=C1)[nH]c(c2)C(=O)O	PC-id_145367459	189.211	HKVTXKXVJJKENJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005276
CCOc1ccccc2-c1cc(=O)[nH]2	PC-id_121218366	189.211	LTQSFZKKWHTTGL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005277
CCOc1ccccc2-c1[nH]c(=O)c2	PC-id_121218367	189.211	QAEWKTRYFCEMLL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005278
COC1=c2[nH]cc(c2=CCC=C1)C=O	PC-id_142212738	189.211	NCCGXWHRUQGVOU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005279
O(Cc1c2-c([nH]c1=O)ccccc2)C	PC-id_10081196	189.211	PGQGTWUIFWHWDM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005280
OC(=O)CC1=c2[nH]ccc2=CC=CC1	PC-id_57199289	189.211	GMKYLDYLPJLTQO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005281
CC(CC1=C=Nc2c(C=C1)non2)C	SCHEMBL19403246	189.214	CHBBJHOSLLSNLN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005282
C#CC(=O)N1CCCc2c(C1)cn[nH]2	MCULE-6510359059	189.214	XCNOYKZXNPMJAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005283
CC(=O)N1C=Cc2c[nH]cc2C(=N1)C	EMOLS-id_8272792,CoCoCo_6954193,ZINC22_381737,MCULE-2012896464,SPECS-id_AO-079/14332047	189.214	VFOWECQDHIIHEL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005284
O=c1n(CCN)c2-c(n1)ccccc2	PC-id_21483620	189.214	KJWUHTKENYPGHS-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005285
O=CC1=Cn2ncnc2C=CC1(C)C	SCHEMBL21447900,PC-id_139569457	189.214	RIFGABZLEXPKHZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005286
n12c(ncc1)CCCCN=C2NC#N	PC-id_13290811	189.217	DOSDPUXFEMIRJC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005287
n12c(nc(c1)C)CCCN=C2NC#N	PC-id_13290815	189.217	YZWUWCDUTFWDOC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005288
N1(CCn2c(N=C1)c(nc2)C#N)CC	PC-id_85622558	189.217	LLWOFXCFMAFPQZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005289
s1c2C(F)(F)CCNCc2cc1	PC-id_71306179	189.226	XWMYCIKLBXWVTM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005290
O=S=Nc1cc2-c(c1)ccccc2	PC-id_101250327	189.234	NFPFZWCERZMSPL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005291
CC1C=Cc2c(C=C1)nc(o2)C(C)C	PC-id_145372099	189.254	YPKKTOQHJLJULU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005292
CC1C=Cc2c(C=C1)noc2C(C)C	PC-id_143198827	189.254	IMGWLLIVDIMLNC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005293
CC1C=CC(C)(C)C=Cc2c1nco2	PC-id_142458861	189.254	HZWSVBDWMLLTLN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005294
CC(C1=CC=c2c(=CC1)ocn2)(C)C	PC-id_143171932	189.254	CQGWGAIQWKDCHM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005295
CC(C1(C)C=NC=c2c(=C1)occ2)C	PC-id_144979173	189.254	FUYHVAIUAFPEKK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005296
C=CCn1cc2c(c1)CCCCC2=O	EMOLS-id_107541188,PC-id_83205579	189.254	NKBISJBBRHGODE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005297
C#CCn1cc2c(c1)CCCCC2O	PC-id_83209079,EMOLS-id_107403873	189.254	MLABJHNYWZNKIT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005298
COC1=c2cc[nH]c2=CC(C=C1)(C)C	PC-id_141944433	189.254	JGZCSEYYPFOILE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005299
OCc1cc2c([nH]1)C=CC(C=C2)(C)C	PC-id_143533214	189.254	IWPZMFNNTNBNSS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005300
c12CC(CCCc1cnn2CC)C#N	EMOLS-id_75547742,MCULE-2127771908	189.257	CGDFXBFOBVHXGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005301
CC1C=CC(C)(N)C=Cc2c1cn[nH]2	PC-id_142541338	189.257	OPRDFQNCNAGEIM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005302
CC1C=Cn2c(C=C1)nc(n2)C(C)C	SCHEMBL19560712	189.257	NSJTWQJIEOUGEA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005303
CC(C1(C)C=CC=c2c(=C1)nn[nH]2)C	PC-id_144344718	189.257	FRWOYHWCLAFHER-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005304
CC(C1(C)C=Cn2c(C=C1)ncn2)C	SCHEMBL21099492,PC-id_138721191	189.257	YDUBPKFJJWORLT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005305
C=C=C1CCCn2c(N1C)cc(n2)C	SCHEMBL19659445	189.257	HDMVOBLPHAGWIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005306
CC(C1(C)C=Nc2n(C=C1)ccn2)C	PC-id_145030287	189.257	OQKOHOIANCTENZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005307
CC(C1(C)C=Nc2n(C=C1)ncc2)C	PC-id_145030248	189.257	QMEWJUQSCIHMOO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005308
CCc1cnc2n1C=CC(N=C2)(C)C	PC-id_145022652	189.257	HBMFYZGIIPXSID-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005309
CC(C1(C)N=Cc2n(C=C1)ccn2)C	PC-id_145030285	189.257	FNBGDVNJIHRHPT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005310
C#CCn1nnc2CCCCCCc12	EMOLS-id_114310795,MCULE-2479706453	189.257	UXTNDSLAYOFOKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005311
CCn1ncc2c1C[C@H](C#N)CCC2	ZINC22_575422732	189.257	CGDFXBFOBVHXGC-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005312
CCn1ncc2c1C[C@@H](C#N)CCC2	ZINC22_575422754	189.257	CGDFXBFOBVHXGC-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-005313
CCn1nnc2=CC(C=CC=c12)(C)C	SCHEMBL21416521,PC-id_139541005	189.257	BHLDBTJGTYECEZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005314
CCN=C1C(CC=Cn2c1ncc2)C	PC-id_90898579	189.257	QXNYNYBWOVCIFC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005315
CCC1=NC/2=C(S1)CCC=C/C=C2	PC-id_155183020	191.077	QZXFNYSRXWMJMJ-YFPBZNGSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005446
CN(C1=c2cc[nH]c2=NC=CCC1)C	PC-id_134322095,SCHEMBL19943890	189.257	LYAOPFNNSHJOTL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005316
CNc1nc2=CC(C)(C)C=CC=c2[nH]1	PC-id_142036781	189.257	LNEOVNAPXNGRBW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005317
n12CCCCCc1nc(c2)CC[N+]#[C-]	PC-id_83483677	189.257	FIHGKMHPBFYLLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005318
n12CCCCN(c1cc(c2)CC#N)C	PC-id_84771231	189.257	KQPJVFOHUFHENH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005319
n12nc(cc1CCCCC2)CC[N+]#[C-]	PC-id_83483678	189.257	VOPMEQPVJBUTHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005320
n1(cc2C(N)CCCCc2c1)CC#N	PC-id_83208428,EMOLS-id_107409447	189.257	ILRMFZMXFGEBGE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005321
NCc1nc2c([nH]1)C=CC(C=C2)(C)C	SCHEMBL20935091,PC-id_138576803	189.257	RDRSFVPRMPJNMA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005322
NCCc1nc2c(n1C)C=CC=CC2	PC-id_144069641	189.257	BPNSCEQMSLPCJA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005323
CC(C1=c2ccsc2=CC=C=N1)C	SCHEMBL20244055,PC-id_134590916	189.277	VVUPDMWDPNHLKB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005324
CC(C1=c2ccsc2=CN=C=C1)C	SCHEMBL21100541,PC-id_138722173	189.277	XMHVQNGDSNTKMC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005325
CC(C1=c2sccc2=CC=C=N1)C	PC-id_138722120,SCHEMBL21100483	189.277	DAYHFOACBZRMJW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005326
CC(C1=c2sccc2=CN=C=C1)C	PC-id_138722175,SCHEMBL21100543	189.277	ZJLCQLFKSJQYRM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005327
CC(C1=Cc2ncsc2C=C=C1)C	PC-id_145127770	189.277	BNUBOEPLKCRIEY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005328
CC(C1=Cc2sccc2N=C=C1)C	SCHEMBL21100478,PC-id_138722115	189.277	KWZLCQBVTWEIAJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005329
CC(C1=C=Nc2c(C=C1)ccs2)C	SCHEMBL21100484,PC-id_138722121	189.277	TWXNSPCIQNYXEV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005330
CCc1c[nH]c2c1ccccc2=S	PC-id_121219240	189.277	ZUWDAUNLAHIIGG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005331
CC(=C)c1nc2c(s1)C=CCC=C2	PC-id_144565752	189.277	QBWTYMHHZRMGCY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005332
CC(=C)C1=NC=CCc2c1ccs2	PC-id_143740806	189.277	XQVPCJLTEQUYJA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005333
n12c(C(CCC=C1C)(C)C)ccc2C	PC-id_85531834	189.297	WWXRWLAIKCRQEU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005334
[nH]1c2C(CCC=C(c2cc1C)C)(C)C	PC-id_21606051	189.297	SHBYTVQGJYIVRJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005335
[S+](c1c2-c(cc1)ccccc2)(C)C	PC-id_24822915	189.297	GIRMVKDKFJOIMM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005336
S1SCc2c(CS1)c[nH]c2	PC-id_139913238	189.321	BTNRBYCKVVCWDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005337
Clc1nn2CCCCSc2n1	PC-id_84662349	189.666	WSOGCACLYJUBHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005338
C1COC2=CSC(=C2OC1)Cl	PC-id_164734480	189.986	CAMYXGRDRDFUEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005339
C1=CC2=CC=CC(=CC2=C1)C(=O)Cl	PC-id_152627040	190.019	ZCSRKFMGOAXWHP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005340
C1C#CC=CC2=C1N=C(S2)NC=O	PC-id_163811020	190.02	NNGFYHSJQQWUSS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005341
C1C=CC=C(C2=NC=CN21)NC(=O)[O-]	PC-id_153846550	190.062	CVCOOUPQLZZBIO-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-005342
C1=CC2=CC=CN2N(C=C1)CC(=O)O	PC-id_153862098	190.074	FAEZPZNNRCRSDR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005343
COCn1c2-c(ccccc2)nc1=O	PC-id_164018834	190.074	UXQAMMYAMVOCDO-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005344
CC1=C2C(=NNC2=NC(=O)C(=N1)C)C	PC-id_154394972	190.085	OATNXASQRJEUFB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005345
CC1(C=CC=C2C(=C1)N(C(=O)N2)C)C	PC-id_153165486	190.111	WDEDUVILCRDGFF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005346
CC1=NC2=C(N1C)C=CC(C=C2)(C)O	PC-id_148115640	190.111	JSEGBCCGNNIZNX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005347
CC(C)C1(C=CC2=NNN=C2N=C1)C	PC-id_148293909	190.122	KXVAKRXESSURLO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005348
CC(C)C1(C=CC=CC2=NN=NN21)C	PC-id_164876605	190.122	VJWGILHKONCYJY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005349
C[C@H]1C=Nc2c(C(=C1C)N)ncn2C	PC-id_164129983	190.122	YMWLFCCRURLLTD-LURJTMIESA-N	00000000100000000111000000000010000000000000000000000000	31-01-005350
o1c2-c(c(c1=O)C(=O)O)ccccc2	PC-id_10261911	190.152	LGKJMCYTZAWEGQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005351
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[O-][N+](=O)c1ccc2-c(nc(n2)N)cc1	PC-id_605334	190.159	KCUSVPOUSXEBLO-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005354
FOC(=O)c1c2-c(cc1)ccccc2	PC-id_53804244	190.17	FKOKOORBARHRTH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005355
Oc1ccc2-c(cc1)c(cc2)[N+](=O)O	PC-id_101008599	190.175	WKXVIVIYRGABJH-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-005356
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c1c(O)c2c(c(C)oc2C)c(=O)cc1	PC-id_804397,MCULE-2881665358,CB4104421,EMOLS-id_49398649,ZINC22_313122	190.195	UHUVMZAZSQBMOV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005358
o1c2c(c(CC)c1)cc(=O)c(O)cc2	PC-id_12581917	190.195	KDWKEOLMHVDOIU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005359
C1C=CC(=Cc2cccn12)NC(=O)O	PC-id_90972840	190.199	ZRRHNLPWISVIQG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005360
CCOc1nc2c([nH]1)ccc(=O)cc2	PC-id_19102856,SCHEMBL9339588	190.199	BASKVJGYUBQLHI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005361
COC(=O)C1=Cc2cn[nH]c2C=CC1	PC-id_145125422	190.199	RZSQEBMAKUAASI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005362
O(c1c(=O)c2n(ncc2ccc1)C)C	PC-id_605409	190.199	SNAFEBHLNJJSRI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005363
O=CC1=CCN(C(=O)c2c1cc[nH]2)C	PC-id_145081253	190.199	WLCURKSRTPGCTN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005364
O=Cc1c(O)nc2n1C=CC(C=C2)C	PC-id_143305902	190.199	XSVVJFDFMVFODO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005365
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s1c2c(c(c1)C=O)ccccc2=O	PC-id_15122349	190.218	RIZGWVULIKBUTG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005369
CC(=O)c1c(C)oc2c1CC=CCC2	PC-id_122371059	190.238	UBNWISNKOPOWGE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005370
CC(=O)c1oc(c2c1CCCC=C2)C	PC-id_100917914	190.238	PSBYOGMNLTYAMQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005371
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CC1=Cc2c(CCCC=C1)[nH]c(=O)[nH]2	PC-id_91607428	190.242	LRIBIDRFMLLCPY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005373
CC1C=Cc2c(C=C1)c(=O)n(n2C)C	PC-id_142069507	190.242	VDNZZWXCQXHCHM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005374
Cc1ccc2n1C(=C(C(=O)NC2)C)C	PC-id_134856159	190.242	CJTDKFIJJFDBIT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005375
CC1CC=CC=c2c(=C1)[nH]c(=O)n2C	PC-id_144076723	190.242	VCJWNOQDNQIFHQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005376
CC1=CC(C)(C)C=C(c2c1non2)C	PC-id_142886797	190.242	PAFMQRDPEGYLDS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005377
CCC1(C)C=Cc2c(C(=C1)C)non2	PC-id_143608597	190.242	WDTRHJHAEGRCRC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005378
CC(C1(C)C=Cc2c(C=C1)non2)C	SCHEMBL18676681	190.242	AMCDACSXFYRPIK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005379
CCc1nc2c([nH]1)C=C(CC=C2)CO	PC-id_91489751	190.242	FYSRSIHEZGGQFR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005380
C=CCC1CCc2c(C(=N1)N)cco2	PC-id_53791117,SCHEMBL8193628	190.242	FBWWYLYZMDVFBF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005381
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CCn1cc2c(c1)CC=CCNC2=O	PC-id_141868671	190.242	YBTPJLDICLKJSL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005384
CCOC1=c2c(n[nH]c2=CC=CC1)C	PC-id_90917967	190.242	UNFIIIUJOKNWTE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005385
COCc1nc2c([nH]1)CC=CCC=C2	PC-id_143712833	190.242	PXBOABLYTBCHMH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005386
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OCc1cc2c([nH]1)N=CC(C=C2)(C)C	PC-id_143533175	190.242	ZXEXAMWNGINOMG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005389
OCc1nc2c([nH]1)C=CC(C=C2)(C)C	PC-id_143533252	190.242	GSYKKTPNSPNMTG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005390
CC1CC=CN=C(c2c1n(C)cn2)N	PC-id_142226694	190.245	ZWXDLJAKGNDOIY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005391
CC(C)C1=NCC=Cc2c1nc([nH]2)N	PC-id_137177484	190.245	ILOHKVYXAUXJNZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005392
FC(F)(F)c1ccc2-c(cc1)ccc2	PC-id_15668048	196.168	ZAFYDRKHAQUKCG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006521
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CC(C1=c2ccsc2=NC=C=N1)C	SCHEMBL21100480,PC-id_138722117	190.265	MFJIDFQIGYEVBK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005402
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CC(C1=c2ncsc2=CN=C=C1)C	PC-id_134590915,SCHEMBL20244054	190.265	RAXRZJYFHDKAFJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005404
CC(C1=c2sccc2=NC=C=N1)C	SCHEMBL21127658,PC-id_138746138	190.265	WJZJJWMGJZKHAB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005405
CC(C1=c2scnc2=CC=C=N1)C	PC-id_138745833,SCHEMBL21127342	190.265	CTAGOKZKJQRWJK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005406
CC(C1=c2scnc2=CN=C=C1)C	PC-id_138722174,SCHEMBL21100542	190.265	CMIIMYOJHXNSPI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005407
CC(c1cc2c(s1)N=C=CC=N2)C	SCHEMBL20229536,PC-id_134578094	190.265	UBSLRLLCVKULGP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005408
CC(C1=C=NC=Nc2c1ccs2)C	SCHEMBL21100516,PC-id_138722152	190.265	AONCMAOBTRAMOB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005409
CC(C1=C=NC=Nc2c1scc2)C	PC-id_138722151,SCHEMBL21100515	190.265	KYQHSNDRUNLIEC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005410
CC(c1nc2c(s1)C=C=NC=C2)C	SCHEMBL21395319,PC-id_139522259	190.265	LNRIEVDFMJPQJE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005411
CC(c1nc2c(s1)N=C=CC=C2)C	SCHEMBL21395322,PC-id_139522261	190.265	SOWGMQMGHWCQIR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005412
CSc1nc2-c(n1)ccc(cc2)C	PC-id_20064375,SCHEMBL9864818	190.265	NESKPRMXOXPOHL-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005413
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CC1=CCc2c(C(C1)(C)C)oc(c2)C	PC-id_101553903	190.281	DSJHFGXTRZTTFG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005415
CCCCC1=CCCCc2c1cco2	PC-id_102274450	190.281	MTSUQOKURDEUTO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005416
o1c2c(C(CCC=C2C)(C)C)cc1C	PC-id_85840973	190.281	RCRNXIOZOWCQMZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005417
Cc1nn(c2c1CCCCCC2=C)C	PC-id_68029385,SCHEMBL10080606	190.285	FJVOHMGQPNENAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005418
CC(C1C=c2cn[nH]c2=CCC1C)C	PC-id_68058514,SCHEMBL10188540	190.285	VRMOLEWWUKMDBX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005419
Cn1c(C)nc2c1CCC(C=C2)(C)C	PC-id_141770092	190.285	KLDYTDSOHOMJSZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005420
CNCCc1c[nH]c2=CCCCC=c12	PC-id_142861922	190.285	QYRNFKZLSCOQAI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005421
n12c(C(N=CCC1)C(C)(C)C)ccc2	PC-id_22972729	190.285	RTCWZZLSEBJZLZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005422
[S-]c1cc2-c(c1[S-])ccccc2	PC-id_102314786	190.285	MKADFRXGAHHRNA-UHFFFAOYSA-L	00000010100000000110000000000010000000000000000000000000	31-01-005423
CC1=c2scc(c2=C(C=CC1)C)C	PC-id_143987809	190.305	NAKMJCXGSDTUDF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005424
CC1=c2sccc2=CC=C(CC1)C	PC-id_145639532	190.305	XEANSTNJKVAFCZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005425
Cc1cc2c(s1)C=CC(C=C2)(C)C	PC-id_143699167	190.305	HIFPLYQKKNMLMJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005426
CC1C=Cc2c(C=C1)c(c(s2)C)C	PC-id_143295637	190.305	KAOOOOFRYALFAR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005427
CC1C=Cc2c(C=C1)c(sc2C)C	SCHEMBL20366894,PC-id_135211529	190.305	JSFWZYBTDUAHOL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005428
CC1=CC=CC(c2c1ccs2)(C)C	PC-id_142420221	190.305	YLWXDZUFWYMVJI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005429
CC1=CC(C)(C)C=Cc2c1scc2	PC-id_142150731	190.305	ADJDHPSTOJXDFL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005430
Cc1sc2=CC=CC(C=c2c1)(C)C	PC-id_143624669	190.305	QPPXQADFDMQYPT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005431
CCC1=CCc2c(C=C1)sc(c2)C	PC-id_143342910	190.305	RBJNTFFTRIBAKB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005432
CCC1(C)C=Cc2c(C=C1)ccs2	PC-id_142022777	190.305	LDIJFGLAUFFISG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005433
CCC1(C)C=CC=c2c(=C1)ccs2	PC-id_142005289	190.305	MEVPAWMJGMQFFF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005434
O1CSc2c(SC1)csc2	PC-id_138750304,SCHEMBL21132144	190.306	QOFDMZAXXFBTIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005435
ClC(=O)c1c2-c(cc1)ccccc2	PC-id_19840219,SCHEMBL9532086,EMOLS-id_81810418	190.626	XNVRMEHUFFMGMX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005436
Cc1cc(C)c2-c(c(c1)Cl)ccc2	PC-id_101095605	190.669	AEFSSBMUAPKFQE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005437
Cc1ccccc2-c1cc(c2Cl)C	PC-id_102576498	190.669	SPZJOTLJEFYMQA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005438
Clc1c(c2-c(c1C)ccccc2)C	PC-id_21063078	190.669	BXTVIICOJDDKED-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005439
ClCc1cc(c2-c1ccccc2)C	PC-id_140217080	190.669	GWMOCZHOOSHEPQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005440
C1=CC2=NC(=O)NC2=CC=C1[N+](=O)[O-]	PC-id_154123757	191.033	DPTZWKQSDCZVSZ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005441
Cn1c2c(C=CC(=CC2)C(=O)O)nn1	PC-id_164070039	191.069	WOJFZXVZBQCIOB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005442
CN1C=C2CC=CC(=CC2=N1)[N+](=O)[O-]	PC-id_154554015	191.069	GNKDGHHGXKEAGP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005443
CC1=CC2=C(C=CC1(C)C)SN=C2	PC-id_163730676	191.077	KZGYCZUUOPNREF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005444
CC1=NC/2=C(S1)/C=C/CCC/C=C2	PC-id_155276532	191.077	HNZDNDNIRQWERS-CGXWXWIYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005445
CCC1(C=CC=C2C(=C1)OC(=O)N2)C	PC-id_153397780	191.095	YSAVCWDCJIXXIA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005447
C1C=CC=C(c2nccn12)NC(=O)O	PC-id_91133645	191.187	CVCOOUPQLZZBIO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005448
CNC(=O)C1=Cc2nonc2CC=C1	SCHEMBL19496750	191.187	PACDVPSETMWYAI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005449
NC(=O)c1[nH]n2c(c1)cccocc2	PC-id_141794932	191.187	FTHBFNQWLXEOOK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005450
O=c1[nH]nc(nc2-c1ncn2)CCC	PC-id_85427495	191.19	CXHBINACDRWUFM-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005451
N=c1nc(N)c2c(c(n1)N)n(cn2)C	SCHEMBL16131578,PC-id_117617930,SCHEMBL16918588	191.193	LWAMUOVCFQHHJT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005452
C=CCC1CCc2c(C(=O)N1)cco2	SCHEMBL8195074,PC-id_70299446	191.226	IJIWSUIIGBIQSN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005453
CCn1c(=O)oc2c1C=CC(C=C2)C	PC-id_145369363	191.226	UQHJSKCQNNAIPY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005454
CC(=O)C1CCCc2c(C1=O)cc[nH]2	PC-id_141050485	191.226	VWGQSTPQRBUIRV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005455
Cn1c2C=C(CC)C=CCc2oc1=O	PC-id_143342596	191.226	KQTWMTMPAMRRFL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005456
O=C1c2c([nH]cc2C(=O)C)CCCC1	PC-id_59059684	191.226	YNMFRONCDKRBFX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005457
OCc1nc2c(o1)C=CC(C=C2)(C)C	PC-id_143533169	191.226	UYPDPGDLGKOGGZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005458
S(=O)([O-])c1c2-c(cc1)ccccc2	PC-id_66760056	191.226	PJKMIHSXBOMSSC-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-005459
CC1=CCC(=O)Nc2c1c(nn2C)C	PC-id_137219281	191.23	BVSLRSGAKQVSJL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005460
C=CC(=O)N1CCCc2c(C1)cn[nH]2	MCULE-1616434974	191.23	NTDZTPBEOCOUHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005461
CNc1nc2=CCC=CC=c2n1CO	PC-id_141790731	191.23	SZFKYWDQUKIPIU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005462
NC(=O)C1=c2scnc2=CC=C[CH]1	SCHEMBL15903676	191.23	QIBDSDDUALWXOI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005463
O1c2n(nc(c2)CC[N+]#[C-])CCCC1	PC-id_83483972	191.23	BVRUVBOAXSVXBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005464
O1CCCCn2c1nc(c2)CC[N+]#[C-]	PC-id_83483971	191.23	JQDFKDGNDQHIDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005465
O=C1N(CC=Cc2c1n(nc2C)C)C	PC-id_59908906	191.23	GKYXRFSISCJXNZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005466
OCc1nc2c([nH]1)C=CC(C=N2)(C)C	PC-id_143533134	191.23	WFFHOLAGXNJDFS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005467
OCc1nc2n(c1C)C=CC(=NC2)C	PC-id_59932307	191.23	GJEKVYFXEZYSHG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005468
O=C=Nc1n(nc2CCCCCc12)C	PC-id_83915512	191.23	CXKLKAFBWBCIIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005469
Cc1nn(c2c1NC(=NC)CN=C2)C	PC-id_137197499	191.233	KGXYHFWLGDLDRP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005470
N1(CCCCn2nc(nc12)CC#N)C	PC-id_84771944	191.233	WWSXHHYJBXNDOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005471
N1(CCCCn2nc(nc12)C[N+]#[C-])C	PC-id_83483980	191.233	BFOQEDUJSHUJHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005472
C1C=CC=Cc2c1scc2C(=O)N	PC-id_91348800	191.25	VHXRCRNBDYFNDU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005473
NC(=O)c1cc2c(s1)C=CC=CC2	PC-id_68729693,SCHEMBL3651831	191.25	GGEGTHTVRMCCIM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005474
NC(=O)c1cc2c(s1)CC=CC=C2	SCHEMBL1204027,PC-id_66941054	191.25	AAPBGMOKIJYMQB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005475
NC(=O)c1csc2c1CC=CC=C2	SCHEMBL6037004,PC-id_57455124	191.25	LXKIGLHRZKXSLJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005476
Oc1c[n+](c2n1C=CC(C=C2)(C)C)C	PC-id_142451840	191.25	SFUMRGWGQWRQNF-UHFFFAOYSA-O	00000000100000000111000000000010000000000000000000000000	31-01-005477
O=c1sc2=CC=CC=CC=c2n1C	PC-id_142615710,SCHEMBL20845865	191.25	WRWLWVTZORKRKY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005478
O=CC1(C)C=Cc2c(C=C1)ncs2	PC-id_143058959	191.25	DQHVUCSGAATFKP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005479
CSc1nc2cccc(=N)cc2[nH]1	PC-id_137180947	191.253	RWJOMXDKSGISSZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005480
CSc1nc2c([nH]1)ccccc2=N	PC-id_135578035	191.253	QITQDRNXCYSWGV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005481
S(c1nc2-c(n1)ccccc2N)C	PC-id_14735951	191.253	CMYMWDFPCCJLCT-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005482
C=CCn1cc2c(c1)CCCCC2O	EMOLS-id_107504799,PC-id_83208156	191.269	QMOWWRBGTYBJIZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005483
CCCn1cc2c(c1)CCCCC2=O	PC-id_83207160,EMOLS-id_114541296	191.269	XGBZTCBJZULRGW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005484
Cn1c(C)c2c(c1C)C(=O)CCCC2	SCHEMBL17895844,PC-id_121458013	191.269	GSKOCDJFIBFRMF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005485
O=C1CCc2cc[nH]c2CC(C1)(C)C	PC-id_101410845	191.269	WTBQDCCZTCUVSM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005486
O=C1CCCCCCCc2[nH]c1cc2	PC-id_23258030	191.269	KLHRPBSFRBXXLK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005487
O=C(Cc1cn2c(CCCCC2)c1)C	PC-id_82656266	191.269	GSLHXHWADGOMNT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005488
c1(NC2CC2)[nH]nc2CCCCCc12	EMOLS-id_39560340,MCULE-3538094533,PC-id_63048852	191.273	GABFCPGLUVIRMJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-005489
c1[nH]nc2c1CN(CC1CC1)CCC2	ZINC22_664863801,MCULE-9146634871,EMOLS-id_313133391	191.273	VKMZECDLMHRZOQ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-005490
C=C1CCn2c(C(C1)(C)C)nc(n2)C	PC-id_144028709	191.273	KQVHZQMFBCLKNA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005491
C/C=C(/c1nnc2n1CCCCC2)C	PC-id_144605419	191.273	GCTWRVOXEKRRGI-YCRREMRBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005492
n12c(CCCCC1)cc(c2)CC(=N)N	PC-id_83676848	191.273	WCQWODWITFMKJT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005493
n12c(ncc1)C(N=CCC2)C(C)(C)C	PC-id_22972727	191.273	DOYGNDRTITYVPT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005494
S(c1[n+](c2-c(n1)ccccc2)C)C	PC-id_14438749	191.273	DGPYXHXSUWFVPY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-005495
CC1=Cc2cc(sc2C=CN1C)C	PC-id_142065845	191.293	SBXXFKVTXKCYPB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005496
CC1=CCC(=c2c(=C1)sc(n2)C)C	PC-id_144275486	191.293	QKTMURXVCCWFHS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005497
CC1=CC(C)c2c(C=C1)sc(n2)C	PC-id_143777884	191.293	ZSLPNNUCNIJTAJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005498
CC1=CC(C)(C)C=c2c(=C1)ncs2	PC-id_142240545	191.293	XPCRQGLHDRKCJV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005499
Cc1nc2c(s1)C=CC(C=C2)(C)C	PC-id_134356134,SCHEMBL19982607	191.293	KDRZSHCFEOEGAZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005500
Cc1nc2c(s1)C(C)(C)C=CC=C2	PC-id_143667578	191.293	BYSZIMQWOSMELT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005501
Cc1nsc2c1C=CC=CC2(C)C	PC-id_142420092	191.293	BMDRQIPEHVOXEH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005502
Cc1sc2c(n1)CCC#CCC2C	PC-id_145588906	191.293	CIMQUJMRWBCHJC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005503
CCC1(C)C=Cc2c(C=C1)ncs2	PC-id_145030274	191.293	PWWCWHQYRCOSOM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005504
CC(C1=NC=CCc2c1ccs2)C	PC-id_143740820	191.293	BDXCVIGBPRZVTJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005505
CCCc1nc2c(s1)C=CCC=C2	PC-id_91303074	191.293	WRPGWHHGUUPSJW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005506
C#CCN1CCCCc2c1ccs2	EMOLS-id_114544857	191.293	CJESIEFXVZWFAJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005507
N#Cc1c(C)sc2c1CCCCC2	SCHEMBL18499677	191.293	ZWKITXKAOLISFN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005508
C1CCCCc2ccc(CCCC1)[nH]2	SCHEMBL21371740,PC-id_139502256	191.313	MEIVERFAVGOZBC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005509
C1CCCCc2[nH]cc(CCCC1)c2	SCHEMBL7223711,PC-id_12407968	191.313	BUMZSDMACBQPRF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005510
Cc1cc2c([nH]1)CCCCCCCC2	PC-id_138669727,SCHEMBL21040050	191.313	QPCIFRLQMVRGSD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005511
CC(c1ccc2n1CCCCC2)(C)C	PC-id_58137625,SCHEMBL12857421	191.313	DBAZJJUUGNPSKR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005512
CCC1CCCCCCc2cc1c[nH]2	SCHEMBL3885809,PC-id_12050038	191.313	KYRDIXLOJLICTD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005513
CCn1c(C)c(c2c1CCCCC2)C	PC-id_143174423	191.313	HBVKLKCSMUPZRZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005514
Cn1c2CCCCCCCCc1cc2	PC-id_100999601	191.313	GKKFCNFGMQCXDP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005515
n12c(C(C(C)(C)C)CCCC1)ccc2	PC-id_22972735	191.313	FSFDHZFNFJPMPE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005516
n1(c2c(CCCCC2)cc1CCC)C	PC-id_13128878	191.313	AMUYSNGWIMYBSS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005517
[nH]1c2c(CCCCC2)cc1C(CC)C	PC-id_70680078	191.313	BDWOTXVKHPZDNA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-005518
Clc1nc2-c(c1C=O)ccccc2	PC-id_12654813	191.614	FYIGCSDCDCVGIZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005519
O=Cc1ccccc2-c1nc(c2)Cl	PC-id_102076174	191.614	WIMZIQXERYDFAX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005520
Clc1ccc2-c(c(nc2C)C)cc1	PC-id_71430699	191.657	OVOLMCRRRZUOMB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-005521
C1=CN(C=CC2=C1C=CS2)C(=O)[O-]	PC-id_154260328	192.012	DORFESZYNZMCSX-UHFFFAOYSA-M	00000000100000000110000000000010000000000000000000000000	31-01-005522
C1=CN2C(=CC=C2SC=C1)C(=O)N	PC-id_150167249	192.036	FIQSPEVJWIBAPM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005523
C1=CSC(=CC2=CNC=C21)C(=O)N	PC-id_154507629	192.036	CYYKRGSZKBPSEV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005524
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NC(=O)c1cc2=CC=CNC=c2s1	PC-id_121272536,SCHEMBL17674113	192.238	VJHGTKDQXNOYRW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-005575
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CC(C)C1(CCc2nncn2CC1)C	PC-id_163849527	193.158	OTDFCBGSSRQSRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-005688
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CCN1C(=O)CC(=Nn2c1nnc2)C	PC-id_139049376,CT-id_1544771	193.206	OBNSUVSSHGCRGE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-005708
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c12N(C)C(C)CCNc1c(nn2C)C	PC-id_112708872,MCULE-2493328065	194.277	HKDFBAIBZDFBTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006113
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Cc1nn(c2c1NCCC(N2)(C)C)C	PC-id_136278944,EMOLS-id_114588378	194.277	DTVXCQZJAKXCLU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006121
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CCc1nn(c2c1NCC(CN2)C)C	PC-id_136278999,EMOLS-id_107581258	194.277	OGJTZGANTXHHSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006127
CCc1nn(c2c1NCCCN2C)C	PC-id_80196729,EMOLS-id_107738055	194.277	YZYFYEYSIWCDJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006128
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CC(C)C1CCNc2c(N1)n(nc2)C	PC-id_136926523	194.277	RZQVSQZVAHJBHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006130
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CCCc1nn(c2c1NCCCN2)C	EMOLS-id_107752546,PC-id_136278879	194.277	AYGPQHJLTAJMNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006132
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CCN1CCCNc2c1n(C)nc2C	EMOLS-id_107440441,PC-id_80196625	194.277	ZPGUSJBVJXBXKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006141
CCn1nc(c2c1N(C)CCCN2)C	PC-id_80195951,EMOLS-id_107737666	194.277	XJCWHSNCNLSJCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006142
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CCNCc1nnc2n1CCCCC2	EMOLS-id_37316103,PC-id_60695480	194.277	KSEGJYNTFAFBRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006144
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NC1CCn2c(N(C1)C)c(nc2C)C	SCHEMBL18365850	194.277	VCTFEMZBLPOLTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006184
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[S-][n+]1c2-c([n+]([S-])c1)ccccc2	PC-id_67948176,SCHEMBL9877771	194.277	PRUREWYVEKJHEG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-006189
CC1CCC(=O)c2c(C1)c(C)sc2	PC-id_135179122,SCHEMBL20329850	194.293	VNZJKFNRVNDQGY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006190
CCc1cc2c(s1)C(=O)CCCC2	SCHEMBL11987813,PC-id_68188144	194.293	NYKPRWQRQUPYQH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006191
CC(=O)c1cc2c(s1)CCCCC2	PC-id_71670790,SCHEMBL13908042,EMOLS-id_48602689	194.293	GRGJYECQDQRRAA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006192
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s1c(c2CCCCCc2c1)C(=O)C	PC-id_82400778	194.293	GSDJUJJUIUHIAH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006196
C/C=C/1CNCCc2c1nc(s2)C	PC-id_143189005	194.297	JHHXJPZSWICTAR-FPYGCLRLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006197
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CC1(S)C=CC=c2c(=C1)scc2	PC-id_144790118	194.316	YUQPLOWENPYGJB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006199
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C1CCCCc2c(CCC1)ccs2	SCHEMBL15276726,PC-id_89818778	194.336	WWMSIXYNHCWZGD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006201
Cc1cc2c(s1)CCCCCCC2	PC-id_89535435,SCHEMBL14907201	194.336	INHIQSXQZQCVOY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006202
Cc1sc2c(c1C)CCCCCC2	SCHEMBL13169597,PC-id_13265909	194.336	YJWYVCMAGXZQHD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006203
CCc1c(c2c(s1)CCCCC2)C	SCHEMBL13029606,PC-id_89002597	194.336	YJLMRKQCFFYFSE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006204
CC(c1cc2c(s1)CCCCC2)C	SCHEMBL13351708,PC-id_89064634	194.336	QWRGYHSQGXIPBE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006205
CCc1sc2c(c1)CCCCCC2	SCHEMBL11987816,PC-id_68188146	194.336	ONSSCFFRWRJRTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006206
s1c2CCCCCCCc(c2)c1C	PC-id_24976517	194.336	RFTNTHGKHIOQRG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006207
s1c(c2C(CCCCc2c1C)C)C	PC-id_20737318	194.336	LJZATVGCSDESDO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006208
ClCc1c2-c(oc1=O)ccccc2	PC-id_10442636	194.614	OIHKIGRQUGWCHS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006209
CC1=CCC(=Cc2c1nc([nH]2)Cl)C	PC-id_143063129	194.661	YXMQKSYSIWPARK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006210
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CC1=CC=CC2=C(S1)N=C(S2)C	PC-id_164075890	195.018	WTIHHBWPPXFOEC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006212
CC1C=NC2=C(C=C1O)NC(=S)N2	PC-id_153544970	195.047	GXMCKTBUYTWGLS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006213
C1CCCC2=C(CC1)N=C(S2)[AlH2]	PC-id_163887641	195.066	PYUQFDRWRVMKIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006214
CC1=CC2=C(S1)CCN(CC2=O)C	PC-id_165012035	195.072	XPQJAQPIDOZFTJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006215
Cn1cnc2c1C(=O)NC(=NC2O)N	PC-id_163535911	195.076	DWXYMURGABOKKA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006216
CC1=NC2=C(O1)CCN(CC2)C(=O)[O-]	PC-id_154153622	195.078	IMVNUSHPKSLJPR-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-006217
C1CN(CC2=CC(=NN2C1)N)C(=O)[O-]	PC-id_160863455	195.089	SKUHSAFRIXWLOQ-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-006218
CC1=CN=C2N1CCC(NC2)C(=O)O	PC-id_154318442	195.101	DBUCLCIYODSEQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006219
COC(=O)N1CCCC2=C(C1)C=NN2	MCULE-5061538473,PC-id_164647328	195.101	CSIXQJJBFOEIAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006220
CC1=CSC2=C1CCCC[C@@H]2CN	PC-id_153680340	195.108	GAECXPWDMRTHCY-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006221
CNC[C@H]1CCCCC2=C1C=CS2	PC-id_149155956	195.108	ROVCJYIWKJSJLI-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006222
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CC(C)N1CCC2=C(CC1)OC(=N2)N	PC-id_154346034	195.137	SBORZAVOKSPZHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006225
CCCN1CCc2c(CC1)oc(n2)N	PC-id_163920669	195.137	RADNKSNGLWILLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006226
CN(C)n1c2c(CCCNCC2)nn1	PC-id_163557638	195.148	FOMIPYBVHBXIOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006227
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C1CCC(=O)c2noc(c2C1)C(=O)O	SCHEMBL15386622,PC-id_89903232	195.172	DYOHQLZMGFUUBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006229
C1CC(=O)c2c([nH]c(c2C(=O)C1)O)O	PC-id_136638606	195.172	ZRQBDLNDWBKSAQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006230
O1CCc2[nH]c(cc2C(=O)C1)C(=O)O	PC-id_84014624	195.172	BLTFQPIVBZCSRJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006231
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o1nc(c2c1CCCCC2=O)C(=O)O	PC-id_82400675	195.172	YWDJSJSPTPGWMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006233
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Cc1noc2c1C(=O)N(NC(=N2)N)C	PC-id_135409919	195.179	MMFZDWMRIDTDDV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006239
CCn1cnc2c1C(=O)NNC(=O)N2	PC-id_68364825,SCHEMBL12724278	195.179	AISCWMBBMWXSMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006240
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C1=C(SC=c2cn[nH]c2=N1)C(=O)O	PC-id_91009704	195.198	VMKBBAIACZDOKO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006242
c12CC(CCCc1cno2)C(=O)OC	EMOLS-id_75547960,MCULE-5216605655	195.215	QFARCLFLNLYYSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006243
c1(C(=O)O)c2CCCCCc2oc1N	PC-id_83448110,MCULE-1947516030	195.215	XBEVVKHGZFJCDQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006244
c1(C(=O)OC)c2CCCCCc2on1	PC-id_75481641,MCULE-5446756152,EMOLS-id_48609539,ZINC22_95884050	195.215	VIGBXLIIAKWBCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006245
COC(=O)c1cc2CNCCCc2o1	EMOLS-id_329988364	195.215	ZLVJLGWZZHECAU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006246
COC(=O)[C@@H]1CCCc2cnoc2C1	ZINC22_575425192	195.215	QFARCLFLNLYYSU-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006247
COC(=O)[C@H]1CCCc2cnoc2C1	ZINC22_575425193	195.215	QFARCLFLNLYYSU-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006248
o1c2CCCCCc2nc1CC(=O)O	PC-id_83847549	195.215	KUKVLPZUUIQKJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006249
o1c2CCCCC(c2nc1C)C(=O)O	PC-id_84665953	195.215	FGYBLJTWNFWACO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006250
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o1c2c(CC(NCC2)C(=O)O)cc1C	PC-id_83685636	195.215	JICBWXODGRWYCX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006252
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Oc1c(n2CCCCCc2c1)C(=O)O	PC-id_82400524	195.215	RKNRRHMVQKENGQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006260
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CC1NCc2n(CC1)cc(n2)C(=O)O	PC-id_68590520,SCHEMBL3308706	195.218	BPGMMOXKYBAQHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006272
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CC(C)c1n[nH]c2c1CNOC(=O)C2	PC-id_134420854,SCHEMBL20053823	195.218	UXUYMLYWCHZLSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006276
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CN1C(=O)CCCn2c1cc(n2)CO	SCHEMBL19658884	195.218	RYQVXDQREVINCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006280
CNC1C(=O)N(C)CCc2c1ocn2	SCHEMBL14171184,PC-id_23554916	195.218	FXHTZOKPTMOARX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006281
COC(=O)c1cn2CCNCCc2n1	PC-id_91666221	195.218	IKZJIMHAKOOBAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006282
COC(=O)c1cn2c(n1)CNCCC2	SCHEMBL3307470,PC-id_68590068	195.218	FNWVUGMLKZJPBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006283
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O=C1OCCCOC(=O)c2cc1co2	PC-id_141452777	196.157	ZEAGRPUWIQKHDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006510
O=C1OCCCOC(=O)c2oc1cc2	PC-id_141375796	196.157	BJAWGBDQPSDLTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006511
C1Cc2c(cc(o2)[N+](=O)[O-])C(=O)NC1	PC-id_85872393	196.16	MYDOIEOBQMKYGC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006512
o1nc(c2c1CCCNC2=O)C(=O)O	PC-id_83679461	196.16	YEQDQQZNIGKHHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006513
C1CC(=O)Nc2c(nnn2C1)C(=O)O	PC-id_136693541	196.163	UUXCWLKAOHXBCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006514
c1(C(=O)O)nnn2CCCNC(=O)c12	MCULE-3857189923,EMOLS-id_49426301,PC-id_86775269	196.163	YFXYFNMCCYZQKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006515
O=C1NC(CO)C(=O)Nc2[nH]cnc12	BindingDB_PC-id_44419607,PC-id_44419607,CHEMBL220699	196.163	LPXWHZOPSHICBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006516
OC1N(C(=O)Cn2nncc2C1=O)C	PC-id_82606522	196.163	LWGBDIMQFUPMHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006517
CC1=NNc2nc(nn2CC1)[N+](=O)[O-]	PC-id_135778843	196.167	UQPWDADDHVJWCT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006518
FC(c1ccc2-c1ccccc2)(F)F	PC-id_15668045,SCHEMBL15913258	196.168	JHFRTVPGJFJJIJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006519
FC(F)(F)c1cc2-c(c1)ccccc2	PC-id_15668046	196.168	MJJWSQLJGYYNAR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006520
o1c2c(CCOCC2)cc1CC(=O)O	PC-id_84773877	196.2	HJCCLJUOLHGGFS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006522
c12occc1NCCC(N)(C(=O)O)C2	MCULE-3716760277	196.203	DEEAAXOCZBAXGL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006523
c1(C(=O)O)nn2c(OCCCC2)c1C	PC-id_100010788,EMOLS-id_50383202,MCULE-2401872532,ZINC22_218297144	196.203	FSIYCPYTMYADAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006524
c1(C(=O)O)n[nH]c2CCOC(C)Cc12	EMOLS-id_320449564,MCULE-1507694123,SCHEMBL18365759	196.203	MSKMZFOMIFAJOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006525
CC1CCc2c(CO1)[nH]nc2C(=O)O	SCHEMBL18366125	196.203	KPHPMMVVJDTXDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006526
Cc1noc2c1NC(=O)OC(C)(C)C2	CoCoCo_5618357,ZINC22_1582487,NSC353675,PC-id_337055	196.203	SSZRWCKRZZYAAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006527
CC1OCCc2c(C1)[nH]nc2C(=O)O	SCHEMBL18365755	196.203	KNOFAQIBHAFSLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006528
COC(=O)c1cc2n(n1)CCCCO2	EMOLS-id_50901310,ZINC22_258830320,PC-id_122237374,MCULE-7589368470	196.203	FRZYFPLSQAEMSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006529
COn1c(=O)[nH]c2c1CCC(=CO2)C	SCHEMBL19118350	196.203	WDTUYXSWURPTMH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006530
o1c2CCCCC(c2nc1N)C(=O)O	PC-id_84666777	196.203	JKCKXVCRBUPPJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006531
o1c2C(N)(CCCNc2cc1)C(=O)O	PC-id_83672498	196.203	AHRSURYAYMTADV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006532
O1CCCCn2c1nc(c2)CC(=O)O	PC-id_82657544	196.203	DRUKVBZSUMBKAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006533
O1CCCCn2c(CC(=O)O)cnc12	PC-id_82399707	196.203	BIHOEAUQHYZGBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006534
O1CCCCn2nc(cc12)CC(=O)O	PC-id_82657545	196.203	SHLWRBHAMVFUMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006535
o1nc2C(CCNCc2c1C)C(=O)O	PC-id_82399760	196.203	XWXPGDUVNXKJDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006536
o1nc2c(CCNCC2)c1CC(=O)O	PC-id_83862812	196.203	BUAPTRCVZJTWID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006537
o1nc2CCN(CCc2c1C(=O)O)C	PC-id_83862795	196.203	BCVDJWBVFFRZBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006538
o1nc2n(C(CCCC2)CC=O)c1=O	SCHEMBL6796338,PC-id_9837040	196.203	KBOGIPOVWOZHGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006539
o1nc(c2CCN(CCc12)C)C(=O)O	PC-id_82399750	196.203	BCWYHNFNOULSCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006540
o1nc(c2C(N)CCCCc12)C(=O)O	PC-id_82399741	196.203	SFNGHMBMLGWMIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006541
o1nc(OC)c2c1CCCCC2=NO	PC-id_85925045	196.203	KKBBHGQEJSZOCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006542
OC1CCCCc2[nH]nc(c12)C(=O)O	PC-id_83879756	196.203	RRFAKVSJNRSVFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006543
O=Cc1nn(c2c1OCCCO2)CC	PC-id_96622238	196.203	FYELLRLCHTTYET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006544
OC(=O)C1CCCCc2c1[nH][nH]c2=O	PC-id_82606565	196.203	XUNNSYIVDJMIMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006545
OC(=O)c1n(C)nc2c1CCOCC2	PC-id_112711125	196.203	VFPPMZQRYRORAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006546
OC(=O)c1n[nH]c2c1CCCOC2C	SCHEMBL18377637	196.203	SJKAZNQVDGBSRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006547
OC(=O)Cc1n[nH]c2c1CCOCC2	PC-id_112711141	196.203	RWGZRDANEJWRDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006548
[C-]#[N+]c1ccc2-c(cc(c2)NC=O)cc1	PC-id_91556531	196.205	LDPDKGVHQKNXLT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006549
C1Cn2ccnc2OCCN1C(=O)N	SCHEMBL14966089,PC-id_89580393	196.206	XWLZTRYKEQILEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006550
CC1NCCCn2c1nnc2C(=O)O	MCULE-7385699723,EMOLS-id_208139808	196.206	GXPQWWURRFSDRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006551
C[C@H]1NCCCn2c1nnc2C(=O)O	MCULE-6844813772,EMOLS-id_208139838	196.206	GXPQWWURRFSDRU-RXMQYKEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006552
C[C@@H]1NCCCn2c1nnc2C(=O)O	MCULE-9682967285,EMOLS-id_208139823	196.206	GXPQWWURRFSDRU-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006553
CN1CCn2c(CC1)nc(n2)C(=O)O	SCHEMBL18372190	196.206	ZTOBGNBVZLJDED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006554
COC(=O)c1c2NCCCCn2nn1	PC-id_136693548	196.206	AJTPATHPEVFAEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006555
O1CCCCn2nc(nc12)C(=O)CN	PC-id_82657602	196.206	PNJDOGGYVYBZEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006556
OC1c2n(CCO)cnc2NC=NC1	PC-id_10584040	196.206	XMOIDCPGYIJYSK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006557
O=C1[C@@H](N)COc2c(N1C)cnn2C	PC-id_140764910	196.206	SDTNLWAXSKTJGY-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006558
O=C1C(N)COc2c(N1C)cn(n2)C	SCHEMBL18365769	196.206	FYPORIHKJBAFFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006559
O=C1C(N)COc2c(N1C)cnn2C	SCHEMBL18365770	196.206	SDTNLWAXSKTJGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006560
O=C1C(N)COc2c(N1C)nn(c2)C	SCHEMBL18365782	196.206	GVAXTJFRNXKRLU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006561
OCCn1cnc2c1NC=NCC2O	PC-id_10631733,BindingDB_PC-id_10631733,CHEMBL36879	196.206	GKYZNVMIMBRQBH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006562
OC(=O)c1nn2CCCCN(c2n1)C	PC-id_82657607	196.206	NPGVZNGAKHCGGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006563
OC(=O)CN1CCCn2c(C1)nnc2	EMOLS-id_107757601	196.206	YAQMAFXJQKAVQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006564
OC(=O)N1CCCn2c(C1)cc(n2)N	PC-id_142796708	196.206	SKUHSAFRIXWLOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006565
NC(=O)NC1CCc2nnnn2CC1	PC-id_146082389,MCULE-9555150011,EMOLS-id_324008983	196.21	KAAGZPGYEJHIMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006566
Nc1c(c2-c(c1C#N)c(cc(cc2[2H])[2H])[2H])C#N	PC-id_60153592	196.223	YNZJVRSNCQQZDY-NHPOFCFZSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006567
s1c2CCOCC(=O)c2cc1C=O	PC-id_82399649	196.223	GCDRZIIWZDLPRT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006568
s1c(c2CCOCC(=O)c2c1)C=O	PC-id_82399648	196.223	WQDMVZJYFVHCLP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006569
CN1CC(=O)Nc2ccsc2C1=O	SCHEMBL7271386,PC-id_53845717,MCULE-5851939261,EMOLS-id_97207219	196.226	GMFLMEHAXIVZLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006570
CN1CC(=O)Nc2sccc2C1=O	MCULE-5077070054,EMOLS-id_96112151,PC-id_21289974,SCHEMBL9375538	196.226	WXPVJHWBSNEEJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006571
O=C1CN(C)C(=O)c2c(N1)csc2	PC-id_20515337,SCHEMBL7278846	196.226	VVPPUEDQOCSLSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006572
O=C1CNC(=O)c2c(N1C)ccs2	PC-id_101479254	196.226	AXMQMMVAGDJNFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006573
s1c2c(NC(=O)[C@H](NC2=O)C)cc1	PC-id_16122262	196.226	WVAJJGITFIPZQL-SCSAIBSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006574
s1c2c(NC(=O)[C@@H](NC2=O)C)cc1	PC-id_16122266	196.226	WVAJJGITFIPZQL-BYPYZUCNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006575
S1CCCCn2nc(nc12)N=C=O	PC-id_83915791	196.23	NBNPCLXPFDHREA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006576
C
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C
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C1=CC=CC=Cc2cocc2C=CC=C1	PC-id_85819284	196.244	YGNZZZVYSAMPQP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006579
C/C=Cc1c(C=C)oc2=CC=C=CC=c12	PC-id_145128683	196.244	LZKLMDFKOBGDFR-BAQGIRSFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006580
C/C=Cc1oc2=CC=C=CC=c2c1C=C	PC-id_144820065	196.244	NRTGNUFNDMXQMI-BAQGIRSFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006581
CC(=O)/C=C/c1ccc2-c1ccccc2	PC-id_102254774	196.244	LRVKITSXHIACJE-BQYQJAHWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006582
o1c2c(cc1)C=CC=CC=CC=CC=C2	PC-id_85786520	196.244	DENBEQPKUHYDFH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006583
O=CC=C(c1c2-c(cc1)ccccc2)C	PC-id_85807728	196.244	USSUXTZCECPXMO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006584
O=CC=C(c1cc2-c(c1)ccccc2)C	PC-id_85807741	196.244	YNWOXVAUVIVNJX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006585
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CCCn1oc2c(c1=O)CCNCC2	BindingDB_PC-id_14515724,PC-id_14515724,SCHEMBL10436744	196.246	WGBUQJHROJPRNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006587
CC(C)Oc1noc2c1CNCCC2	BindingDB_PC-id_10465280,SCHEMBL10460362,CHEMBL305264,PC-id_10465280	196.246	XTTVTDWUFDGHOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006588
CCCOc1noc2c1CNCCC2	SCHEMBL10460418,PC-id_22163558	196.246	MICSOMXOHNHQLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006589
CCn1oc2c(c1=O)CCN(CC2)C	PC-id_14515728,BindingDB_PC-id_14515728,SCHEMBL10436564	196.246	WRCNQANFUPAVON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006590
CCOc1noc2c1CCN(CC2)C	BindingDB_PC-id_71562663,PC-id_71562663	196.246	KWOCARMIOVZKHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006591
O1c2n(nc(CC(O)C)c2)CCCC1	PC-id_83675658	196.246	RMJJJBCPQQWDMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006592
o1nc2c(CCCCC2)c1C(N)CO	PC-id_83879851	196.246	OZYAJWIRHHOPJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006593
o1nc2c(CCCCC2)c1C(O)CN	PC-id_83879850	196.246	BGHFUQASTODTGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006594
o1nc2n(C(CCCC2)CCC)c1=O	PC-id_59974966	196.246	IUAHBRDDVFHASO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006595
o1nc2n([C@@H](CCCC2)CCC)c1=O	PC-id_59974975	196.246	IUAHBRDDVFHASO-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006596
o1nc2n([C@H](CCCC2)CCC)c1=O	PC-id_59974976	196.246	IUAHBRDDVFHASO-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006597
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[O-][n+]1onc2c1CCCCCC2(C)C	PC-id_101002551	196.246	NOZDIWSEKYHPSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006600
c1(CN(C)C)nnc2CCOCCn12	ZINC22_2100556707,MCULE-6421780555,EMOLS-id_337666790	196.25	PVLGPGFEVVWLRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006601
Cc1c2N(C(C(CCn2nc1)N)O)C	PC-id_134267390,SCHEMBL19880654	196.25	UOYSQPODBZEQCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006602
Cc1nn(c2c1NCC(CN2)OC)C	EMOLS-id_266063640,PC-id_136704088	196.25	UQQDOWGOISKWKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006603
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CCOCc1nnn2c1CNCCC2	EMOLS-id_50369703,ZINC22_306139861	196.25	UCTLDXPWIVNEGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006605
CNC1CCc2nn(C)c(=O)n2CC1	MCULE-9180367491,PC-id_90488130,EMOLS-id_50251658	196.25	GGPVYXFBIKJTGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006606
CN[C@H]1CCn2c(CC1)nn(c2=O)C	PC-id_99728160	196.25	GGPVYXFBIKJTGX-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006607
CN[C@@H]1CCn2c(CC1)nn(c2=O)C	PC-id_99728161	196.25	GGPVYXFBIKJTGX-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006608
COc1nn2c(c1N)N(C)CCCC2	SCHEMBL1074855,PC-id_66897180	196.25	JNNIPIRZLGDTTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006609
COCCc1nnc2CCNCCn12	ZINC22_2100482923,MCULE-9950922736,EMOLS-id_337701303	196.25	GKZSXCDEYXXAEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006610
NCC(c1nnc2n1CCCCC2)O	PC-id_66165257,EMOLS-id_41747705	196.25	JTFWAPYMFYWFFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006611
N[C@@H](CO)c1nnc2n1CCCCC2	ZINC22_26471702	196.25	UOTSWTKVOGGIJE-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006612
N[C@H](CO)c1nnc2n1CCCCC2	ZINC22_26471710	196.25	UOTSWTKVOGGIJE-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006613
O1CCCCn2nc(nc12)CCCN	PC-id_82657658	196.25	NSKSAWJNCXVGFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006614
O1CCCCn2nc(nc12)CCNC	PC-id_82657657	196.25	QVQANHNGFAYWJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006615
O=c1n2CCCCCc2nn1CCN	PC-id_82505592	196.25	WGHBHQODPQNLDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006616
OCC(c1nnc2n1CCCCC2)N	EMOLS-id_37528501,PC-id_43142830	196.25	UOTSWTKVOGGIJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006617
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c12-c(c(ccc(c1)C(=C)C)C)ccc2C	PC-id_3083592,HMDB0038162,UNPD12567	196.288	KFLXZUPIDNPCSD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006666
c12-c(c(ccc(c1)C=CC)C)ccc2C	PC-id_85602300	196.288	YJCSPZZGLRQJCL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006667
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CCc1cc2c(s1)CCCCC2O	SCHEMBL11987806,PC-id_68188139	196.309	JASVFAWYBZCRLV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006673
CCc1cc2c(s1)C(O)CCCC2	SCHEMBL11987814,PC-id_68188145	196.309	ISCLNMKRGXMTIN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006674
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s1c(c2C(O)CCCCc2c1C)C	PC-id_85771221	196.309	TZUDRILHSLYDMO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006681
Cc1nc2c(s1)CC(NCC2)(C)C	PC-id_142576330	196.312	RQNDHOKSFIHDEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006682
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CC(c1n[nH]c2c1CSCCC2)C	SCHEMBL18798860	196.312	LWFAUXGRQFPVCY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006685
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CCCc1nc2c(s1)CCNCC2	PC-id_105450284	196.312	HZOGKUNPPJXGOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006687
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CNc1nc2c(s1)CC(CCC2)C	PC-id_144510011	196.312	YEHUSRMNPCVFAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006694
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CNc1sc2c(n1)CCCCCC2	PC-id_638997,EMOLS-id_39469624	196.312	XEVGBYWJEAWWPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006696
CNCc1nc2c(s1)CCCCC2	PC-id_3249912,EMOLS-id_36503441	196.312	VQPGEMOOEQUMTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006697
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[NH3+]CCc1csc2c1CCCCC2	GD-id_ZINC49454872	196.332	GFBFBYWDOKEPHA-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-006713
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Clc1cc2-c(ccc2)ccc1Cl	PC-id_13739844	197.061	VGRBHHLODQBLJZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006730
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C1=CC=CC=CC2=C(C=CC=C1)N=CO2	PC-id_154412641	197.084	LOZGGLDYASALMX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006732
C1CCOC(C2=C(C1)C=CS2)CN	PC-id_164089609	197.087	XEXUOYNHRFITDA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006733
C1CCO[C@@H](C2=C(C1)C=CS2)CN	PC-id_164089608	197.087	XEXUOYNHRFITDA-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006734
CC1=CC2=C(S1)C(OCCC2)CN	PC-id_163744171	197.087	LKJLUMIRVFZFDQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006735
CC1=CSC2=C1CCCO[C@@H]2CN	PC-id_146877068	197.087	SQSNGCXBBGLGOF-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006736
CNCC1CCCOC2=C1SC=C2	PC-id_165145631	197.087	BIGSWRDJZSIXNU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006737
Cn1nc2CCC=S(=Cc2n1)(C)C	PC-id_163725049	197.099	KUVUAKYSPKEDMM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006738
CSc1nnc2n1CCCCCC2	PC-id_164120786	197.099	YFHBPECIEVSWSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006739
NN1CC=Cc2c(C1=O)n(P)nn2	PC-id_142250011	197.134	AFZZYJSNKJXKIP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006740
O1c2c(OCCC1)cn(c2)CC(=O)O	SCHEMBL3241096,PC-id_57738873	197.188	BBPKEAHATRQICE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006741
o1c2C(O)(CCCNc2cc1)C(=O)O	PC-id_83672447	197.188	NLPIUVGJPFQAKN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006742
O1CCc2c(noc2CC(=O)O)CC1	PC-id_83862810	197.188	BQHOBCANERSYOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006743
o1nc(c2C(O)CCCCc12)C(=O)O	PC-id_83880018	197.188	FARHXOAWRSNVQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006744
o1[nH]c2C(CCCCc2c1=O)C(=O)O	PC-id_82606872	197.188	OFOAKLDUUACHLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006745
C1COCCc2c1c(nn2O)C(=O)N	SCHEMBL20631709,PC-id_137400022	197.191	KVKMGXZARDTSGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006746
CC1CCCn2c(O1)c(cn2)[N+](=O)[O-]	PC-id_141657192	197.191	YJQWHXZOXGREGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006747
COC(=O)c1nnc2CCOCCn12	EMOLS-id_337789609	197.191	SKDMOVHGTSOQRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006748
O1CCCCn2nc(nc12)CC(=O)O	PC-id_82657823	197.191	BRLWBNFLKDGZRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006749
o1nc(OC)c2CCCN(N=O)Cc12	PC-id_10352671	197.191	PKBLRQQQRGOWMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006750
OC1CCCCn2nc(cc12)[N+](=O)[O-]	EMOLS-id_324055037	197.191	BQNODXXUAFOVKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006751
O(c1nc2n(CCCNC2)c1)C(=O)O	PC-id_69042938,SCHEMBL4435022	197.191	FKACFWJVCHDZFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006752
O=c1[nH][nH]c2CCN(CCc12)C(=O)O	SCHEMBL6028872,PC-id_69641822	197.191	NAMBSPNLHCBFGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006753
O=C1N(C)OCc2c(N1C)ncn2N	SCHEMBL17210393,PC-id_118476137	197.195	PGPGYCFERHEYJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006754
COC1=NCCCn2c1cc(n2)CF	SCHEMBL13612070,PC-id_89128778	197.209	HOIFLNQRRAKGIZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006755
O=Cc1sc2c(c1)C(=O)NCCO2	PC-id_145818522	197.211	WRBCAPSXQCNTQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006756
S1CCC(=O)Nc2c1oc(c2)C=O	PC-id_83831320	197.211	WCAPMOQNHRJCHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006757
c12ccsc1NC(=O)CN(O)C2=N	SPECS-id_AI-942/13331074,MCULE-6491317459,PC-id_135422426,CoCoCo_6910495,ZINC22_4419516,CoCoCo_6910496,TIMTEC40180,EMOLS-id_8236314	197.214	CEZSDDLGILLWNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006758
NC1=[N+]([O-])CC(=O)Nc2sccc12	EMOLS-id_3801320,SPECS-id_AI-942/25034426,ZINC22_2026937	197.214	ORIZYNTWIFWNSS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006759
OCCn1cnc2c1NC=[NH+]C[C@H]2O	GD-id_ZINC13807440	197.214	GKYZNVMIMBRQBH-ZCFIWIBFSA-O	00000000100000000111000000000010000000000000000000000000	31-01-006760
s1c2=NC(=O)CN(O)C(=c2cc1)N	PC-id_901426	197.214	QMUNWACXGFGPDS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006761
COCCn1cc2c(c1)OCCCO2	SCHEMBL3251038,PC-id_57738875	197.231	MKUDTVSYIHJZFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006762
C=C(c1ccc2-c1ccccc2)C(=O)N	PC-id_118453509,SCHEMBL17183808	197.233	TZEGTYFCLLKIHO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006763
NC(=O)C=Cc1ccc2-c1ccccc2	SCHEMBL17183809,PC-id_118453510	197.233	BSYAXVBTOYYAMS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006764
OCCc1c2-c(cc1)cc(ccc2)C#N	PC-id_85915704	197.233	BITVWPHPQGUWBC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006765
OCCc1c2-c(cc1)cccc(c2)C#N	PC-id_85915706	197.233	FBJAUXGNRQWRNU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006766
c12OCC(NCc1c(nn2C)C)CO	EMOLS-id_264817706,MCULE-3955847115	197.234	MQBDXBSVYOWVOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006767
n12CCOCCc1nnc2CCCO	ZINC22_2356168083,MCULE-6792527050,EMOLS-id_337805699	197.234	OPTXMXYJTNUGBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006768
NCCC1CCCCc2n1c(=O)on2	SCHEMBL6795244,PC-id_9796742	197.234	KYHUGCUQSSZZTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006769
O1c2n(nc(C(N)CO)c2)CCCC1	PC-id_82657878	197.234	CNLDKOCPVQXNMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006770
O1CCCCn2nc(nc12)CC(O)C	PC-id_83675666	197.234	HZEHCKCHGWJSQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006771
o1nc2CCN(CCc2c1N)CCO	PC-id_83915842	197.234	TVEZVBREDKOLNF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006772
O=c1n2CCCCCc2nn1CCO	SCHEMBL9485950,PC-id_19745985	197.234	AKZYLZAVYCLHCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006773
OCCC1CCCCn2c1n[nH]c2=O	SCHEMBL10437083,PC-id_70366807	197.234	VAOZAIAIIHUVSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006774
OCCn1[nH]c2c(c1=O)CCNCC2	PC-id_117274343	197.234	QSZABXRRXDBHPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006775
s1c2CCN(CCc2nc1)C(=O)[O-]	PC-id_57448116	197.234	PAIQOEHFGYMFCN-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-006776
CC1=Cc2sccc2N(CC1)P	PC-id_145380107	197.237	LEMGKAUKDBQMCR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006777
CN1CCn2n(CC1)c(c(c2=O)N)N	PC-id_57578056,SCHEMBL13680161	197.238	LZBJICYYOFSDHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006778
ONCc1nn2CCCCN(c2n1)C	PC-id_82657944	197.238	KDYLVLAGNCMVPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006779
Cc1cn2CCCNC(CCF)c2n1	EMOLS-id_208139526,MCULE-9158311211	197.253	LQQJHMURXPTCGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006780
Cn1nnc2c1CCCCCC2(C)F	SCHEMBL16188461,PC-id_117662049	197.253	HEDYQHIJUBXUCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006781
C1CCc2c(C(C1)C(=O)O)scn2	SCHEMBL15903626,PC-id_90303485	197.254	OZYVUMHKFRDYOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006782
C1CN(CCc2c1ccs2)C(=O)O	PC-id_91255439	197.254	CDSVGYDZQLTWRD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006783
Cc1cc2c(s1)C(=O)N(CCO2)C	PC-id_144346294	197.254	WBNAFMDPZSTDCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006784
CC(=O)c1cc2c(s1)NCCCO2	PC-id_96621484	197.254	GLAZIOGDYQMMPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006785
CC(=O)c1cc2c(s1)OCCCN2	PC-id_98011437	197.254	STIRKTKXWMWVIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006786
CC(Oc1noc2c1C[NH2+]CCC2)C	GLL_PC-id_10465280	197.254	XTTVTDWUFDGHOL-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-006787
OC(=O)c1cc2CNCCCc2s1	PC-id_18377411,SCHEMBL6421249,EMOLS-id_330022413	197.254	RCTKBWSGKTWLFI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006788
OC(=O)c1cc2c(s1)CCNCC2	PC-id_20481343,SCHEMBL11174836,EMOLS-id_266153461	197.254	PZFNOEKEHXAARL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006789
OC(=O)c1cc2c(s1)CNCCC2	SCHEMBL6424933,PC-id_22449328	197.254	GVLUAKKYTJQALV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006790
OC(=O)c1nc2c(s1)CCCCC2	PC-id_46784950,EMOLS-id_36503439	197.254	HLWQFWFCDADGIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006791
OC(=O)N1CCCc2c(C1)ccs2	SCHEMBL12810928,PC-id_68383685	197.254	HUYGABWQXXNVLL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006792
s1c2CCCCC(c2nc1)C(=O)O	PC-id_82398856	197.254	ZJUKSFCWGYPLHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006793
s1c2c(CCCNC2)c(c1)C(=O)O	PC-id_82398820	197.254	LMDHUKBTQMPWKJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006794
s1c2C(CCCNc2cc1)C(=O)O	PC-id_83672560	197.254	XEYIKDHCHYCJIP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006795
s1c2c(CC(NCC2)C(=O)O)cc1	PC-id_53837160	197.254	GGMMXVWWGMRHON-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006796
s1c2CCCNC(=O)c2cc1CO	PC-id_85717752	197.254	RGKFBGQDNGYFLE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006797
s1c2OCCNC(=O)c2c(c1C)C	PC-id_23383282	197.254	HQTXWWMHJCPIIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006798
s1c(c2c(CCCNC2)c1)C(=O)O	PC-id_84014740	197.254	WNDFVHQDXQMYQC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006799
s1c(c2CCCNCc2c1)C(=O)O	PC-id_84014741	197.254	IADHUKHJJVHCGB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006800
S1CCc2[nH]c(cc2CC1)C(=O)O	PC-id_84774529	197.254	UMQSGJHSYUQWRK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006801
CNC1C(=O)NCCc2c1scn2	PC-id_23554469,SCHEMBL14171120	197.257	BNMJVTXLBKCVKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006802
NC(=O)c1nc2CCNCCc2s1	ZINC22_96146985,PC-id_97442509,EMOLS-id_44303938	197.257	JXSDGVXLXIQCLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006803
O=C1CCSc2c(N1)c(C)nn2C	EMOLS-id_97207428,PC-id_114827325	197.257	XSKBHWVWDQDETB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006804
O=C1[C@@H](N)CSc2n(N1C)ccc2	SCHEMBL19031651	197.257	GSMRMXWZTCJHBX-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-006805
O=C1C(N)CSc2n(N1C)ccc2	SCHEMBL19031652	197.257	GSMRMXWZTCJHBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006806
O=C1Nc2nc(sc2CCC1N)C	SCHEMBL18365765	197.257	SLLLGJQLWGVKHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006807
O=C1Nc2nc(sc2CC[C@@H]1N)C	SCHEMBL18366029	197.257	SLLLGJQLWGVKHO-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006808
O=C1Nc2sc(nc2CCC1N)C	SCHEMBL18365771	197.257	FUZOZUCOUDXVTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006809
s1c2c(nc1CN)CCCNC2=O	PC-id_83679449	197.257	AVYPSIRZSFVEOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006810
s1c2c(nc1NC)CCCNC2=O	PC-id_15414501	197.257	DULPTMBEQMRGDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006811
s1c2c(OC(CN=C2N)CN)cc1	PC-id_54245280	197.257	QSVROANNTHKRGB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006812
S1CCCCn2nc(nc12)C(=O)C	PC-id_82657959	197.257	DVXKSVFNKWMMLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006813
CSC1=NC(N)c2n(CC1)cnn2	PC-id_144181567	197.261	UPKZJLVANNGBFQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006814
S1CCCCn2nc(nc12)C(=N)N	PC-id_83677874	197.261	XWLSBYCYLVBWAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006815
C/C=Cc1c(c2c([nH]1)CC=CC=C2)C=C	PC-id_137469172,SCHEMBL20709594	197.276	OEJPGBAMEARXLP-BAQGIRSFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006816
CC=CC=Cc1cc2c([nH]1)C=CCC=C2	PC-id_89199596	197.276	VMYUMRGUNBDGIP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006817
C/C=CC=C/c1cc2c([nH]1)C=CCC=C2	SCHEMBL13907565	197.276	VMYUMRGUNBDGIP-RWFDEGICSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006818
N(=Cc1cc2-c(c1)ccccc2)C(C)C	PC-id_12121411	197.276	KIERVVCKJCXTQN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006819
CSC1=Nc2sccc2C=NN1	PC-id_140981899	197.281	FWFNAVADOLVBIY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006820
c12CCNCCc1sc(C)c2OC	MCULE-6118362073,SCHEMBL3009125,PC-id_46849914	197.297	HOKWXOHJLNXCOA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006821
Cc1cc2c(s1)CCCOC2CN	SCHEMBL14903703,PC-id_89532752	197.297	RUFPLQIAUJXMEK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006822
CCc1csc2c1OC(C)CNC2	SCHEMBL9903555,PC-id_67959305	197.297	GRNYEXVNYWEZSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006823
CC(c1csc2c1OCCNC2)C	PC-id_50925148,SCHEMBL9902107	197.297	NXJAWIBASFLLFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006824
CCN1CCc2c(C(C1)O)ccs2	SCHEMBL2836553,PC-id_68409876	197.297	XQZKGIKGBGACFN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006825
CCn1c(=O)sc2c1CCCCC2	EMOLS-id_114626389	197.297	ZAARCXQDYGIXMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006826
CN1CCc2c(CC1)scc2OC	PC-id_89047533,SCHEMBL13266314	197.297	AJPAYDYARUOESV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006827
CN1CCC(c2c(C1)cc(s2)C)O	SCHEMBL2837067,PC-id_68410122	197.297	KGLJBINRZQUJJE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006828
CN1CCCc2c(C1O)cc(s2)C	SCHEMBL2845448,PC-id_68413850	197.297	CKQYFEDKRVRVRH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006829
CN1CCC(c2c(C1)sc(c2)C)O	SCHEMBL2836592,PC-id_68409884	197.297	DYFCIMBEISWMBF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006830
CNc1cc2c(s1)C(O)CCCC2	PC-id_143997196	197.297	FREKRIDCKRSVAI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006831
CNCC1c2c(CCCO1)scc2	PC-id_89532750,SCHEMBL14903702	197.297	APIGZRUGKPZFFI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006832
CNC[C@H]1OCCCc2c1ccs2	PC-id_53238977,SCHEMBL14903697	197.297	APIGZRUGKPZFFI-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006833
CNC[C@@H]1OCCCc2c1ccs2	SCHEMBL14903700	197.297	APIGZRUGKPZFFI-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-006834
COC1CN(C)CCc2c1ccs2	PC-id_57423978,SCHEMBL3304815	197.297	OEMCMOYMFHBQTD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006835
COC1CN(C)CCc2c1scc2	SCHEMBL4752619,PC-id_69174810	197.297	RGYFGSOQHINVQL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006836
COCc1nc2c(s1)CCCCC2	EMOLS-id_114625886	197.297	DMJMQQIQMCCAMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006837
CO[C@H]1CN(C)CCc2c1ccs2	SCHEMBL4751245,PC-id_69174162	197.297	OEMCMOYMFHBQTD-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-006838
CONC1CCCCc2c1scc2	SCHEMBL15443229,PC-id_89945317	197.297	XPZRYALROAZYEJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006839
n1c2CCCCCc2sc1C(C)O	PC-id_46784960,MCULE-2943931135	197.297	WCTSTDSLYBYQHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006840
OCc1sc2c(n1)CCCCCC2	EMOLS-id_39474340,PC-id_62922707	197.297	FRHLKBSPAOUISB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006841
OCCN1CCCCc2c1ccs2	EMOLS-id_114626348	197.297	LVXSAYZONKPKSS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006842
S1CCc2c(oc(c2)CCN)CC1	PC-id_84774587	197.297	ATUZLVGHRNVTRE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006843
SCc1noc2CCCCCCc12	MCULE-9767015272,EMOLS-id_259607356	197.297	SMYJBJYSCVYTHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006844
c1(NC)n(C)nc2CCSCCc12	PC-id_112711778,MCULE-3393254657	197.3	REVQFRWFBSEFSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006845
CC1CCNc2c(S1)n(C)nc2C	EMOLS-id_96702571,PC-id_105356360	197.3	ONHPTFLIIGGFPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006846
CC1CNc2c(SC1)n(nc2C)C	EMOLS-id_96702475,PC-id_105356318	197.3	TYOWOTFPWSBBBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006847
CC(c1nnc2n1CCSCC2)C	PC-id_58783633,SCHEMBL11914662	197.3	GKSVBXGYSNGWKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006848
CC(c1nnc2n1CSCCC2)C	SCHEMBL11914670,PC-id_58783792	197.3	OPNXNUUJHZDHMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006849
CSc1nc2c([nH]1)CCN(CC2)C	PC-id_57819762,SCHEMBL12082622	197.3	UZHRHOMBTORERD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006850
n1c2CCCCCCc2sc1NN	EMOLS-id_38517509,PC-id_61700653,MCULE-9405794585	197.3	HOLAOIWIFYWQES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006851
n1c2CCSCCc2c(CN)n1C	MCULE-6892465379,PC-id_112711781	197.3	FVOQUSXONVOYLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006852
NN1CCc2c(C(C1)C)sc(n2)C	SCHEMBL17613239,PC-id_118964279	197.3	VYIFYTMNMIXOIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006853
s1c2CN(CCN(c2nc1C)C)C	PC-id_21138998	197.3	NIMKQRCZXBRJTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006854
S1c2n(CCCC1)cc(n2)CCN	PC-id_82658048	197.3	SPOYTNRJTIGMEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006855
S1c2n(CCCC1)cc(n2)C(N)C	PC-id_82658046	197.3	UCSBNNYWAJDHEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006856
s1c2N(CCN(Cc2nc1C)C)C	PC-id_21139016	197.3	ZTYXXPJWSVOOEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006857
S1CCCCn2c1nc(c2)CNC	PC-id_82658010	197.3	GIWNVVWNLZFEJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006858
S(c1n(c2CCCNCc2n1)C)C	PC-id_83670447	197.3	KCUQVLKDFRYGBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006859
S(c1n(nc2c1CCNCC2)C)C	PC-id_83871827	197.3	IEUIURWBALXARQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006860
CCc1nn(c2c1NCCCS2)C	EMOLS-id_96664388,PC-id_114827360	197.301	HKWFEZSNGWYTIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006861
CC(c1nnc2n1CCCSC2)C	PC-id_58783620,SCHEMBL11914657	197.301	CICGWILQNKGFRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006862
CC(C)n1c2c(CSCCN2)cn1	PC-id_136414197,SCHEMBL5579325	197.301	WAJYATFBROZHIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006863
CCN1CCc2c(sc(n2)N)CC1	EMOLS-id_303439027,MCULE-6132876172,PC-id_215695,ZINC22_5422406,SCHEMBL563307	197.301	RCHRZZVXKQKIQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006864
CCn1nc(c2c1SCCCN2)C	EMOLS-id_96664408,PC-id_114827370	197.301	RJLPZJREWKPIIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006865
CCSc1nnc2n1CCCCC2	EMOLS-id_114625946	197.301	DXCZSZDPFNZIST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006866
CNCc1n[nH]c2c1CCSCC2	PC-id_112711786	197.301	FYFABPGVTSBLHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006867
CSc1n[nH]c2c1CN(C)CCC2	SCHEMBL19297272	197.301	QSCGDPJQMQWNEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006868
CSCc1nnc2n1CCCCC2	EMOLS-id_107174881	197.301	SYQICLGHOJOKGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006869
n1c2CCSCCc2c(CCN)[nH]1	MCULE-8063402789,PC-id_112711784	197.301	GRDPVQMFOTYRBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006870
n1c(CNN)sc2CCCCCc12	MCULE-6787925444,PC-id_53275147	197.301	LAWGGEASOWUDQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006871
s1c2NCCCCc2nc1CCN	PC-id_15069551	197.301	NFNXOUAVXPAMQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006872
S1c2n(nc(c2)CCN)CCCC1	PC-id_82658049	197.301	ZHSBGHOCEHNUOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006873
S1c2n(nc(c2)CNC)CCCC1	PC-id_82658011	197.301	RHIVRXMPNXBWEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006874
S1c2n(nc(C(N)C)c2)CCCC1	PC-id_82658047	197.301	HPCFADBRMAQXRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006875
CC1=CCc2c(SC1)nc(s2)C	SCHEMBL21242013,PC-id_139386833	197.32	LFUXMZYBVDQFTH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006876
Cc1sc2c(c1)C(=S)NCCC2	PC-id_141859756	197.32	FUHNGCCAGXZZKV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006877
s1c2c(CCCN=C2SC)cc1	PC-id_85717848	197.32	AEMPUFQTLZFFFB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006878
s1c2CCC[N+](Cc2nc1C)(C)C	PC-id_21139012	197.32	VAMAZTZXSVVAQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006879
s1c2CCCN=C(SC)c2cc1	PC-id_14978128	197.32	AOAUWPSCARBDTM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006880
s1c2CC[N+](CCc2nc1C)(C)C	PC-id_21139023	197.32	NNTMMODVWCRTKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006881
s1c2C[N+](CCCc2nc1C)(C)C	PC-id_21139028	197.32	QRFSEDNEEYOEAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006882
s1cc2CCCN=C(SC)c2c1	PC-id_85717845	197.32	NIWPXTDWNMJRGR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006883
O=Cc1c(Cl)cc2n1CCCCC2	PC-id_117273054	197.661	KENOTKYTNUXOLT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006884
C[S-]1=CC(=Cc2c(C=1)ocn2)S	PC-id_163537446	198.005	UVTOOSPEHRNWMX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006885
CC1(COC2=CSC=C2OC1)C=O	PC-id_154700599	198.035	DWAFHPVLGSQFIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006886
[B](N)OC1COC2=CSC=C2OC1	PC-id_149154474	198.04	DFNFSQFDQAUWMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006887
CCCC1COC2=CSC=C2OC1	PC-id_153697169	198.071	SLRQVMYZGITBTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006888
CC1=C(C2=CC(=CC=CC2=C1)C(C)C)C	PC-id_148247410	198.141	VQFLDYMYDQTOTE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006889
CC1=CC=CC=C2C1=CC=C2C(C)(C)C	PC-id_154491974	198.141	SBFYYSDSNYWFDW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006890
CCC1=CC2=C(C=CC2=C(C=C1C)C)C	PC-id_154221754	198.141	HRVCWJPCOWVATR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006891
CCC1=CC2=C(C(=CC2=C(C=C1)C)C)C	PC-id_154310555	198.141	UXZFYNCBWKQGAD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006892
O=C1NCCNc2c1n(P)c(n2)C	PC-id_142224394	198.162	MSIWIYABBXTYFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006893
o1c2CCCOC(=O)c2cc1COO	PC-id_11769461	198.173	GJCIKLHDWPCUOA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006894
O1CCCOc2c1c(oc2C(=O)O)C	PC-id_83668318	198.173	PKKVXQFPXHGZPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006895
o1nc2n(C(CCCC2)C(=O)O)c1=O	SCHEMBL6795661,PC-id_23500565	198.176	MADVNKQQBCLQQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006896
o1[nH]c(=O)c2CCCNC(c12)C(=O)O	PC-id_10241830	198.176	UPDCUBRAXUVPSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006897
o1[nH]c(=O)c2CN(CCCc12)C(=O)O	SCHEMBL10460494,PC-id_22163575	198.176	OMWCYEWCMVPJFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006898
o1[nH][n+]2CCCCC(c2c1=O)C(=O)[O-]	PC-id_67455252,SCHEMBL2568211	198.176	BLIHJJUASOTTTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006899
OC(=O)c1[nH]c(=O)n2c1CCOCC2	PC-id_141409075	198.176	YRONSONHYDWWSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006900
OC(=O)[C@@H]1NCCCc2c1o[nH]c2=O	PC-id_101657205	198.176	UPDCUBRAXUVPSE-RXMQYKEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006901
OC(=O)[C@H]1NCCCc2c1o[nH]c2=O	PC-id_101657206	198.176	UPDCUBRAXUVPSE-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006902
O=C(O)N1CCc2onc(O)c2CC1	CHEMBL170821,PC-id_44382129	198.176	IDWNOLBZCQVLKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006903
N#Cc1cc(c2-c1ccccc2)[N+](=O)[O-]	PC-id_121216290	198.178	AJGISNJGZJUDAW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006904
O1c2n(CCNCC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965567,PC-id_71569175	198.179	SASDSURPVWKTQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006905
OC(=O)c1c(F)nn2CCCCCc12	EMOLS-id_337771046	198.194	KTDVAOWCDNKXCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006906
O=C1CNC(=O)c2c(N1S)nc[nH]2	PC-id_142833007	198.202	SBUZCPCKCUDCKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006907
O=C1CN(S)c2c(C(=O)N1)[nH]cn2	PC-id_142833050	198.202	FWJQLJQWYLVLLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006908
O=C1NC(=O)c2c(CN1S)[nH]cn2	PC-id_142224263	198.202	GRVMYLOEHOCVIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006909
Cc1cccc2-c(c(cc2C=O)C=O)c1	PC-id_85552312,SCHEMBL10718100	198.217	ABLWBCSMWKOLKY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006910
O=Cc1c2-c(c(c1C)C=O)ccccc2	PC-id_145572871	198.217	NSLHKIVSBYNHRU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006911
O=Cc1cc(c2-c1ccccc2)C(=O)C	PC-id_101220276	198.217	ZSBKPJXVNBZMDW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006912
OC(=O)/C=C/c1c2-c(cc1)ccccc2	PC-id_11424163	198.217	KQUHFYXVRUJLIZ-CMDGGOBGSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006913
OC(=O)C=Cc1c2-c(cc1)ccccc2	PC-id_71376491	198.217	KQUHFYXVRUJLIZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006914
OC(=O)/C=C/c1cc2-c(c1)ccccc2	PC-id_102191451	198.217	AVMKJKZLIYDHBD-VOTSOKGWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006915
o1nc2n(C(CCCC2)CCO)c1=O	SCHEMBL6791205,PC-id_10130371	198.219	ULTMEUJAOICWPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006916
o1nc2n([C@H](CCCC2)CCO)c1=O	PC-id_59924276	198.219	ULTMEUJAOICWPA-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006917
CCOc1ncc2-c(cc1C#N)ccc2	PC-id_110180344	198.221	CSLYSRNLZGPZNJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006918
CN1CNc2c(CO1)n(cn2)CCO	PC-id_89662416,SCHEMBL15075702	198.222	CLIIEISLTTZVPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006919
COc1nn2c(c1N)N(C)COCC2	PC-id_143895706	198.222	CNPMVNOQKKKBHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006920
O1CCCCn2nc(nc12)C(N)CO	PC-id_82658110	198.222	FGZUPCXZNFGLHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006921
O1CCCCn2nc(nc12)CNOC	PC-id_82658108	198.222	XWHYHESRBMMYAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006922
O=C1CN(O)C(=[NH2+])c2c(N1)scc2	GD-id_ZINC04419516	198.222	CEZSDDLGILLWNP-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-006923
s1c2NC(=O)C[N+](=C(N)c2cc1)O	PC-id_7230604	198.222	SRSRUHDMJSCUHU-UHFFFAOYSA-O	00000000100000000111000000000010000000000000000000000000	31-01-006924
n12c(ccc1)/C=N/C=CN=CC=NC=C2	PC-id_69303541	198.224	SOVBPCRNBORPCZ-IXSQEDPZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006925
n12c(ccc1)/C=N/C=CN=CC=N/C=C/2	PC-id_69303542	198.224	SOVBPCRNBORPCZ-ZRURBVMKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006926
n12c(ccc1)C=NC=CN=CC=NC=C2	SCHEMBL5077506,PC-id_69303543	198.224	SOVBPCRNBORPCZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-006927
N
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N
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C1Cc2c(COC1)cc(s2)C(=O)O	PC-id_134421023,SCHEMBL20054010	198.239	UFSAXJGUSCGXTL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006930
OC(=O)c1cc2c(s1)CCOCC2	EMOLS-id_266229886,PC-id_83818999	198.239	ZCLRVFCWMUKGBG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006931
s1c(c2OCCCOc2c1C=O)C	PC-id_83668253	198.239	FLXUXBUAAUMDQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006932
S1CCc2c(oc(c2)C(=O)O)CC1	PC-id_84774917	198.239	CXJVGMBNJJYXBX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006933
c1(C(=O)O)c2CCSCCc2n[nH]1	MCULE-2784693968,PC-id_112711782	198.242	ROBRQFLFUHVULY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006934
Cc1nc2c(s1)C(=O)N(CCO2)C	PC-id_144346563	198.242	AHZRQBUWYJRCAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006935
COc1nc2c(s1)C(=O)NCCC2	PC-id_3239305,ChEMBL-DNDi_CHEMBL1451948,CHEMBL1451948	198.242	ANODHMFMMDDYQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006936
OC(=O)c1nc2CCCCNc2s1	EMOLS-id_330934263	198.242	UTJPPJGKOCPGNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006937
s1c2CCN(CCc2nc1)C(=O)O	PC-id_22620760	198.242	PAIQOEHFGYMFCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006938
s1c2CCNNCc2cc1C(=O)O	PC-id_69486637	198.242	CZTCXQBDIAJYPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006939
S1CCCCn2c1nc(c2)C(=O)O	PC-id_82658118	198.242	OZIDRYOLAIWMOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006940
S1CCCCn2nc(cc12)C(=O)O	PC-id_82658119	198.242	UACXBVNAXDUEIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006941
s1c2c(nc1NN)CCCNC2=O	PC-id_607693	198.245	XHOFCYPRJNBDRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006942
s1c2CNCCC(=O)c2nc1NN	PC-id_22294472	198.245	LRCHNYNWXDBRIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006943
CCc1nnc2n1NC(=O)CCS2	PC-id_50850086,ZINC22_45920978	198.246	UZBFTJLRSTVWOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006944
c12-c(ccc1C=O)c(ccc(c2)CC)C	UNPD3734,CNP0277696,PC-id_155308,HMDB0302735	198.26	XFHWXYVBANNUFH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006945
Cc1cc(C)c2-c(cc(c2)C=O)c(C)c1	PC-id_289826,LI_149821,NSC152127,CoCoCo_5487956	198.26	SVTPBQPTOWKLDP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006946
C=Cc1c(C=C)oc2c1C=CC(C=C2)C	PC-id_142995488	198.26	AKSGANVKNWXRHL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006947
O=Cc1c2-c(c(c1)C)c(cccc2C)C	PC-id_23256998	198.26	XCGOPWVGSATZMB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006948
O=Cc1c2-c(c(c1)C)cc(cc(c2)C)C	PC-id_85690038	198.26	ZFPXJLHXRXSYEN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006949
O=C(c1c2-c(c(c1)CC)ccccc2)C	PC-id_15255142	198.26	CVCHQXVCIYUGHD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006950
O=Cc1c2-c(cccc(c2)C(C)C)cc1	PC-id_10608024	198.26	ZCZIDHLRDDQIKT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006951
O=Cc1c2-c(c(cc(cc2C)C)C)cc1	PC-id_607778,SCHEMBL13324701	198.26	OOTGBYOIRRXHHB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006952
O=Cc1c2-c(cc(C(C)C)ccc2)cc1	PC-id_10726633	198.26	LLORLRZCEYBPBN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006953
O=Cc1c2-c(ccc(C(C)C)cc2)cc1	PC-id_15639778	198.26	GHOPLOYIRMKHMF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006954
O=Cc1cc2-c(c1)ccc(cc2)C(C)C	PC-id_14921706,SCHEMBL5273559	198.26	YQGRPUJTMSZJBJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006955
O=C(c1ccc(c2-c(c(cc2)C)c1)C)C	PC-id_15109166,UNPD34844,CNP0243555,NP_12879	198.26	ZZVZGSYEPXXGHA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006956
S1(=O)(=O)C=Cc2c(C=C1)csc2	PC-id_24972662	198.262	VRWIKAMUHQEKKB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006957
Cc1c2c(cccccnc1C)cc[nH]2	PC-id_91156074	198.264	VFZVDNUSFIXFMM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006958
CC1COc2c(OC1)c(sc2C)C	PC-id_58766155,SCHEMBL17319380	198.282	WGKZBOMYZIKNRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006959
CC1COc2cscc2OCC1C	PC-id_68011865,SCHEMBL10025619	198.282	PYBPUNPHENPGFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006960
CCCC1CCOc2cscc2O1	PC-id_91051559	198.282	NWUUIYYKKPMORO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006961
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C=Cc1c(sc2c1C=C=CC=C2)C=C	PC-id_91130052	198.284	JZKBPTWRWXBJOK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-006963
Cc1sc2c(n1)C(C)(O)CNCC2	PC-id_145050712	198.285	OEUATVWUFKDOQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006964
CCC1CCCCc2n1c(=S)on2	PC-id_23500577,SCHEMBL6795172	198.285	UBCBDHWSIWWOSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006965
CN1CCCc2c(CO1)nc(s2)C	PC-id_141971029	198.285	ZXGNWTSFGYCGGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006966
COc1nc2c(s1)CCN(CC2)C	PC-id_145589104	198.285	KNVDQHJBALZLCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006967
COCc1nc2c(s1)CCNCC2	SCHEMBL15292447,PC-id_89830269	198.285	TUYJBHHYSVKHMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006968
NCc1cc2c(s1)N(C)CCCO2	PC-id_97705838	198.285	LNKJBEPCRHHHSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006969
NCc1cc2c(s1)OCCCN2C	PC-id_97705839	198.285	CQBCMYOLYXKZFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006970
O=c1n(C)c2c(n1C)CCSCC2	PC-id_145769917	198.285	MRMWLRKGBRQZII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006971
O=c1n(C)c2c(n1C)CSCCC2	PC-id_145769974	198.285	BCTHNAWAFXQKIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006972
s1c2CC(O)(CCNc2cc1)CN	PC-id_83672358	198.285	CPWQSFPXMQKXLM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006973
s1c2C(O)(CCCNc2cc1)CN	PC-id_83672356	198.285	YGTLRCKVYUHJNR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006974
S1c2n(nc(c2)CCO)CCCC1	PC-id_83674605	198.285	LOPOZTBWLRIYMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006975
S1CCc2c(noc2CCN)CC1	PC-id_83871643	198.285	SDRUTIOCKJSGPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006976
S1CCc2c(noc2CNC)CC1	PC-id_83871645	198.285	PWIWCHVHECIFQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006977
S1CCCCn2nc(nc12)CCN	PC-id_82658193	198.289	AOLFMVSPRPOYRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006978
S1CCCCn2nc(nc12)C(N)C	PC-id_82658192	198.289	LHIWIDVDQGFNIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006979
S1CCCCn2nc(nc12)CNC	PC-id_82658197	198.289	XRYSSOYZFZSONF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006980
S(c1n2CCCN(Cc2nn1)C)C	PC-id_83880363	198.289	WZWNLQYDPNTYLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-006981
CCc1c(c2c(s1)CCCCC2)F	SCHEMBL12894329,PC-id_88975950	198.3	USXZSUNHBCNYPX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-006982
c12-c(cc(c1C)C)c(cc(cc2C)C)C	PC-id_15652201	198.303	MVQMUQBJJIHQGS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006983
c12-c(cc(c1)CC)c(cc(cc2C)C)C	PC-id_23246672	198.303	WCIRYLSQNFOORG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006984
c12-c(c(c(c1C)C)C)ccc(cc2C)C	PC-id_14961869	198.303	JMCUCRNZVMMDSL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006985
c12-c(ccc1CC)cccc(C(C)C)c2	PC-id_14515746	198.303	KNUQXUBRMDQOAY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006986
c12-c(c(cc(cc1C)C)C)ccc2CC	PC-id_12670437	198.303	BZNHSJMRSNXVEF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006987
c12-c(c(c(cc(c1C)C)C)C)ccc2C	PC-id_21608021	198.303	OUQWTQALXJPDIB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006988
c12-c(c(c(c(c(c1C)C)C)C)C)ccc2	PC-id_15530403	198.303	KRGYBLFBKRMXCH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006989
c12-c(c(ccc(CCC)c1)C)ccc2C	PC-id_14844222	198.303	UOVMKMWCBMJXMO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006990
c1(C(C)C)c2-c(cc1C)ccccc2C	PC-id_54467578	198.303	FBJXVSWUGXRCRO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006991
c1(C(C)C)cc2-c(c1)c(cccc2C)C	PC-id_68253,Vetivazulene,UNPD172371	198.303	APVKGMMYGFJZHY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006992
c1(C(C)C)c(c(c2-c1ccccc2)C)C	PC-id_21893772	198.303	PXGILEVFPBXLEB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006993
C(c1c2-c(cc1)ccccc2)(CC)(C)C	PC-id_22272306	198.303	KNLRWYUYZNEKFZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006994
Cc1c2-c(c(cc2)C)cc(cc1)C(C)C	LI_14253,SD002827,Chemmine_53761,LI_17370,HMDB0036648,LipidBank_33135,MCULE-9349286347,OSADHI_3890,PC-id_3515,NP_34397,EMOLS-id_515625,LipidBank_75241,DC-id_3272,ChEMBL-DNDi_CHEMBL1408759,CoCoCo_3705263,NSC4714,LI_1557,KG-id_D01037,UNPD76544,DB13329,CHEBI:5550,CHEMBL1408759	198.303	FWKQNCXZGNBPFD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006995
Cc1cc2-c(c1)c(cccc2)C(C)(C)C	PC-id_139888687	198.303	JJCWJIHEJKMGFN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006996
Cc1cc2-c(c1)c(C)ccc(c2)C(C)C	PC-id_10976461,UNPD100040	198.303	LGDCTSUJSMKPMP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006997
C(c1cc2-c(c(cc1)C)c(cc2)C)(C)C	NSC218450,LI_58729,CoCoCo_5541543,PC-id_311905	198.303	GVZPERDKIUXRKG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006998
C(c1cc2-c(cc(c2)CC)ccc1)(C)C	PC-id_22634767	198.303	FPVOFGICKPDFIA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-006999
C(c1cc2-c(c(CC)cc2)ccc1)(C)C	PC-id_10397844	198.303	CMAGYTOIFYNWGH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007000
C(c1ccc2-c(cc1)ccc2C)(C)(C)C	PC-id_86068678	198.303	LQKCBGMFCSPRRF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007001
C(c1cc(c2-c(c(c1)C)ccc2)C)(C)C	PC-id_19815710	198.303	SMTFPHVCHJSAMU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007002
C(c1cc(c2-c(c(cc2)C)cc1)C)(C)C	PC-id_19861187	198.303	FYFFYYQOKUTVLJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007003
C(c1ccc2-c(ccc2CC)cc1)(C)C	PC-id_13849048	198.303	PTIJIZXEQFLUQP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007004
Cc1ccc(c2-c(c1)ccc2C)C(C)C	UNPD73548	198.303	DBZHHRPNWDNKNX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007005
CCc1cc2-c(c1)ccc(cc2)C(C)C	PC-id_142858200	198.303	IGDUKEALTQYIHB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007006
CC(c1c(C)cc2-c1ccccc2C)C	PC-id_139715347	198.303	ABHSYGOAYIJVPB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007007
CC(c1cccc(c2-c1c(C)cc2)C)C	UNPD148283	198.303	CPISDFWUQFUCIX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007008
CCC(c1ccc2-c(cc1)ccc2)(C)C	PC-id_144228444	198.303	GUZRCWAACBTVIH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007009
CCCCc1ccccc2-c1cc(c2)C	PC-id_140042001	198.303	BCMBCSUKTSFAMU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007010
C(CCCC)c1c2-c(cc1)ccccc2	PC-id_15602617	198.303	XLJJJKOYFVUTFC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007011
C1CCC(=O)c2c(C1)cc(s2)S	PC-id_90782125	198.305	XDTODPNRIBKIHN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007012
Cc1sc2c(c1)C(=O)CCCS2	SCHEMBL7298799,PC-id_70048914	198.305	UGNOKBVRFPUEBH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007013
S1CCc2c(scc2)C(=O)CC1	PC-id_12383580	198.305	MHHKRVLUUUQFKR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007014
s1c2N(CCNC(=S)c2cc1)C	PC-id_85717838	198.308	KCNZMGDJTWYPRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007015
C=C1Sc2ccsc2SC=C1	SCHEMBL19526428	198.328	MZFZUHFMOHWAQH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007016
CSc1cc2c(s1)CCCCC2	PC-id_91283536	198.348	VIDQOCMHTXZUIU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007017
S1C(CCc2sccc2CC1)C	PC-id_12383587	198.348	FSHIIARSTBDZBM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007018
s1c(SC)c2CCCCCc2c1	PC-id_23254576	198.348	KRXYTLUCNBNACR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007019
c1(cnc2CCCCCn12)C(=O)Cl	PC-id_26967371,MCULE-4628424310,EMOLS-id_11474177	198.649	ZYWRMULGNXBMRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007020
CC1CCn2c(C(=O)N1)cc(c2)Cl	EMOLS-id_96746681	198.649	VMJDSNFTKRSTTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007021
Clc1cn2c(c1)C(=O)NCCC2C	EMOLS-id_96735830	198.649	AICLHBPBDPEYJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007022
Clc1n2CCCCCc2nc1C=O	PC-id_84048372	198.649	KCCLPFCWFQTULG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007023
Clc1nc2n(CCCCC2)c1C=O	PC-id_82398001	198.649	RIMQHJOFYOEYRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007024
CCn1nc2c(c1Cl)CCCCC2	PC-id_66021597,EMOLS-id_41630894	198.692	CPMFUJIJWPCHTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007025
BCC(=O)c1c(=O)[nH]c2-c1ccccc2	SCHEMBL13076934	199.014	LJUURJJFIBOZNI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007026
Cc1c(n2CCCC(=O)Nc2n1)Cl	PC-id_163857747	199.051	OZUIJJLIASNKPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007027
C1=CC=C2C=CC(=C2C=C1)CCC(=O)[O-]	PC-id_153753487	199.076	DZFOYUKETLEICD-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-007028
CS(=O)N1CCCC2=C(C1)C=NN2	MCULE-3524614786,PC-id_164656573	199.078	HKWVKDAEFSREJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007029
O=C1CNC(=O)c2c(N1)nnn2P	PC-id_142224254	199.107	ARYPNOUEOCBWGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007030
NN1CCCc2c(C1=O)n(P)nn2	PC-id_142250071	199.15	DZDBRDHRVXMIFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007031
c1nc(c2n1C(=N)C(=C=[N-])NN=N2)C#N	PC-id_135778396	199.152	XSBJHXLPFKYBHF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007032
n12c(=NN=NC(=C1N)C#N)c(=C=[N-])nc2	PC-id_21782896	199.152	JDFYPNKFCNMBGS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007033
o1[nH][n+]2CCCCC(c2c1=O)C(=O)O	PC-id_67455253	199.184	BLIHJJUASOTTTA-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-007034
s1nc2N(C(=O)COC(=O)c2n1)C	PC-id_10655599	199.187	MSLGOHYODBFHDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007035
FC(F)n1cc2CCCCC(=O)c2c1	PC-id_83208925,EMOLS-id_107323018	199.197	PEBRLNQAGIVOJL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007036
CC1CCC(c2c(C1=N)cn[nH]2)(F)F	PC-id_137148522	199.201	ZPLVTXLMGIANLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007037
COC(=O)C1=C=c2cc[nH]c2=C=CC=C1	PC-id_143564475	199.205	FZDUBUMJDZQLPJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007038
O=Cc1c2-c(c(c1N)C=O)ccccc2	PC-id_121007092	199.205	QIAQBQBWVQPTBO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007039
[O-][N+](=O)C=Cc1c2-c(cc1)ccccc2	PC-id_86126395	199.205	YGHVKDZTUVWVIZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007040
CCOc1nc2-c(n1)c(C#N)cccc2	PC-id_121220269	199.209	HJQVUCADERKZPR-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-007041
PN1CCCC(=O)c2c1ccs2	SCHEMBL19454436	199.21	VQFMJTRTBQEQDH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007042
OC(=O)c1cc2c(s1)NCCCO2	PC-id_96620675	199.227	DGJFWTJFYWOPJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007043
OC(=O)c1cc2c(s1)OCCCN2	PC-id_98011399	199.227	PDHKVTZHODYAAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007044
S1CCc2c(noc2C(=O)O)CC1	PC-id_83871641	199.227	SWNWXBGSUQQSFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007045
S1CCc2c(onc2C(=O)O)CC1	PC-id_82397876	199.227	OALPNGCOHODOCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007046
S1CCCCn2nc(nc12)C(=O)O	PC-id_82658273	199.23	BHGFEXDZZRVNMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007047
FC(c1cn(c2c1CCCCC2)C)F	PC-id_145769723	199.24	VLGASNFNXNMRAT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007048
C=CC(=O)n1ccc2=CC(C=CC=c12)C	SCHEMBL20912392,PC-id_138556034	199.248	ZZGYLNYFFXICBF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007049
CN(C(=O)c1cc2-c(c1)ccccc2)C	PC-id_102027631	199.248	WJHNZTMVZMRVEP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007050
O=C(N)c1c(cc2-c1ccccc2)CC	PC-id_45098931	199.248	DVIFOZWODHTIFF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007051
O=C(Nc1ccc2-c1ccccc2)CC	PC-id_71674262,CNP0455998	199.248	LYXUJCINNRZZDJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007052
O=C(N)Cc1c2-c(c(cccc2)C)cc1	PC-id_85915648	199.248	RDRRRGYNULMMRX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007053
FSn1nc2c(c1)C(=C)CCCN2	PC-id_144315305	199.249	RPDZWALGJKGSFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007054
C=C1/C=CC=C/Cc2c(/C=C
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Cc1ccccccc2c(c1)ncn2N	PC-id_143786610	199.252	YDZWYKAEZJMHSG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007056
CC1(CC(=N)C=c2c(=C1)c(c[nH]2)C#N)C	PC-id_136499844	199.252	ULYNCCLWQTXYNI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007057
n1c2-c(c(c1N)/C=N/CC)ccccc2	PC-id_15141519	199.252	TXSRRVACQYOZGZ-RIYZIHGNSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007058
n1c2-c(ccccc2C(=C)C)nc1NC	PC-id_14948671	199.252	WUHZUIZGWOPFGY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-007059
N#Cc1c(C)nc2n1C=CC(C=C2)(C)C	SCHEMBL18510203	199.252	SHLMOTRLLBPTMT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007060
N#Cc1c[nH]c2c1C=CC(C=C2N)(C)C	PC-id_141823407	199.252	ZEAYPVPPZAHTCI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007061
[Si]OC(=O)c1c2-c(cc1)ccccc2	PC-id_67048271	199.258	RENMVLPQPOUKBO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007062
FSc1nc2=CCC=CC=c2s1	PC-id_142992123	199.268	ZYSVPONLHHLRBS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007063
CSc1ccc2-c1ccccc2C#N	PC-id_102299529	199.272	PMBUHKRLLADJPK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007064
S(Cc1ccc2-c(cc1)ccc2)C#N	PC-id_13545275	199.272	MICAGXADIDIBHE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007065
CC1(CO)Cc2nncn2CCS1	PC-id_143707956	199.273	XCTVXSSSOGBHRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007066
COCc1nnc2CCSCCn12	ZINC22_2100534310,EMOLS-id_337697482,MCULE-7158567898	199.273	CFIKJPGAUCAAIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007067
S1CCCCn2c1nc(c2)CNO	PC-id_82658328	199.273	ZFCJERNOXLGLTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007068
S1CCCCn2nc(cc12)CNO	PC-id_82658329	199.273	BHRLRUODQJUULL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007069
FCCN1CCCc2c(C1)ccs2	EMOLS-id_114640608	199.288	JSRBPJSLEZVMKN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007070
FCCN1CCCCc2c1ccs2	EMOLS-id_114640617	199.288	HEBMRFYBNRSNNC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007071
s1c2C(CCNCc2cc1)CCF	PC-id_71306140	199.288	TXGCABFWFCDSGH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007072
Cc1c2-c(cc(c2)N)cc(cc1)C(C)C	PC-id_89350579,SCHEMBL14484282	199.291	LYJRVQQVWUCKLJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007073
CC(c1ccc(c2-c(c1)c(C)cc2)N)C	PC-id_101779955	199.291	BHGKWSUYTFHQGI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007074
CCCC(c1c2-c(ccccc2)cc1)N	PC-id_92015781	199.291	JFOXSDUXCHWUKN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007075
CCCCCc1ccccc2-c1cnc2	SCHEMBL8907651,PC-id_67722851	199.291	XWLAXLNUVZURMB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007076
CCN(c1ccc2-c(cc1)ccc2)CC	PC-id_102387708	199.291	VUYFMYWKEJDSJS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007077
Cn1c(=C)c2=CC(C)(C)C=CC=c2c1=C	SCHEMBL19019703	199.291	HCOMYSNGQREITA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007078
n1c(c(c2-c1ccccc2)CC)CCC	PC-id_10987250	199.291	ZFDMOCAIVRFGGK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007079
N(c1c2-c(ccc(c1)CC)ccc2)(C)C	PC-id_85898925	199.291	YIEJIAIUBQZVTO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007080
N(c1cc2-c(c1)ccccc2)(CC)CC	PC-id_85886089	199.291	PYNBTYVGXGHTIU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007081
N(Cc1c2-c(cc1)c(cccc2)C)(C)C	PC-id_13062544	199.291	MUICNRNIWHEXBK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007082
N(Cc1c2-c(cc1)ccccc2C)(C)C	PC-id_85915697	199.291	HDUDETRPSVUDPI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007083
N(Cc1ccc2-c(cc(c2)C)cc1)(C)C	PC-id_85870941	199.291	MDXWTRHLZSCLTH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007084
N(CCc1c2-c(ccc2)cccc1)(C)C	PC-id_13062542	199.291	NUQBOFBYFFDSRZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007085
NCCCCc1c2-c(cc1)ccccc2	PC-id_71422787	199.291	GCWYTGUWOPNTAZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007086
c12ccsc1SCCN(C)C2=O	EMOLS-id_42974769,MCULE-3387713037,ZINC22_5913848,PC-id_4365943	199.293	ISOXTERRCLJWJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007087
Cc1sc2c(c1)C(=O)NCCS2	PC-id_19881083,SCHEMBL9040253	199.293	GJKOLGWGLASDJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007088
Cc1sc2c(n1)C[OH+]N(CCC2)C	PC-id_141971028	199.293	ZXGNWTSFGYCGGZ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-007089
s1c2c(OCCNC2=S)cc1C	PC-id_85717793	199.293	KDETUHDIXCBXMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007090
s1c2c(OCCN=C2SC)cc1	PC-id_85717861	199.293	YGNIHNICTNKSGM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007091
s1c2OCCN=C(SC)c2cc1	PC-id_85717856	199.293	GHJHQDJWIPCLJD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007092
s1cc2c(OCCN=C2SC)c1	PC-id_85717860	199.293	UVUWHIOEBIAEKZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007093
S1CCC(=O)Nc2c1sc(c2)C	PC-id_85635337	199.293	FZRXPGYLYZWBCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007094
S1CCN=C(NN)c2c1scc2	PC-id_10726677	199.296	OLDCPDSFWHRPKK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007095
CSc1cc2c(s1)CCCNC2	SCHEMBL3581479,PC-id_68701435	199.336	SQSXQSFCCJRTNJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007096
s1c2CCCCCCc2[nH]c1=S	EMOLS-id_40428542,PC-id_12532280	199.336	IRGMRJOTGDZNIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007097
S1c2[nH]cc(c2CSCCC1)C	PC-id_20737236	199.336	WIWPOLBLXPBQCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007098
CC1=Nn2cnnc2NC(=O)C1Cl	PC-id_135697354	199.598	XOINNTLQIYBYMS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007099
ClC(=O)c1noc2CCCCCc12	PC-id_71476242	199.634	MKGGQOFUPHICLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007100
O=C1CCCn2c(N1C)c(Cl)nc2	SCHEMBL18366997	199.638	IQUCMVDUPHIVSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007101
O=C1CCCn2c(N1C)ncc2Cl	SCHEMBL18366920	199.638	WLRXWDKBBQRMAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007102
C1C=C(C=c2c(=C1)oc(=S)[nH]2)Cl	SCHEMBL20403472,PC-id_135243940	199.657	ASBTVIMXMYMFGS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007103
ClCc1noc2c1CCCCCC2	PC-id_80463581,EMOLS-id_96698593	199.677	JXFPPXDVNXHCSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007104
CC(c1nnc2n1CCCCC2)Cl	EMOLS-id_37401593,PC-id_24696087	199.681	DAZDNCJKXRJIIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007105
Clc1n2CCCCCc2nc1CN	PC-id_84052112	199.681	PBWGPZQUOMFZKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007106
ClCn1nnc2c1CCCCCC2	PC-id_101504285	199.681	UZDQEDWZPGGEGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007107
CC1=CC=c2c(=CC1)n(C)c(n2)C(O)[B]	PC-id_145549936	200.045	SMJDBSCTQMDNGB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007108
CN1CCCC2=CNC=C2S1(=O)=O	PC-id_154021889	200.062	QGZDAKQEVSTLLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007109
C1=CC=C(C2=CC=CC2=C1)CNC(=O)[O-]	PC-id_153896897	200.072	MBJLLBOYUIWDDH-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-007110
COC(=O)CC1=CC2=CC=CC=CC2=C1	PC-id_154061963	200.084	PMRBEWFLICCCBW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007111
NN1CCNc2c(C1=O)n(P)nn2	PC-id_142250133	200.138	LTSYULQSSLBSPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007112
O1CCn2[nH]c(=O)c([N+](=O)[O-])c2NC1	PC-id_57957921,SCHEMBL1076681	200.152	AIDXCAJYJVXDFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007113
[2H]CC1=C2C=CC(=C2C(=CC=C1)C[2H])CCC	PC-id_153854680	200.153	OFJGRHDFVOEBIF-PBNXXWCMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007114
c1nc(c2n1C(=N)C(=NNN2)C#N)C#N	PC-id_135412687	200.16	FMGNTNDYNQWKSR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007115
c1nc(c2n1c(=N)c(nnn2)C#N)C=N	PC-id_135746198	200.16	SOVFLGOXFSZKNZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007116
c1nc(c2n1c(=N)c(nnn2)C=N)C#N	PC-id_135778397	200.16	JNUPZRXIMCHIQY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007117
n12c(=NN=NC(=C1N)C#N)c(=C=N)nc2	PC-id_15966288	200.16	PCGQROFBKXHJEJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007118
n12c(N=NNC(=C1N)C#N)c(nc2)C#N	PC-id_10060109	200.16	ITMXVAHZOVINIC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007119
Cn1cc2C(=O)CCC(Cc2n1)(F)F	PC-id_89819499,SCHEMBL15277585	200.185	PFMMFAODHAMGKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007120
O=C(c1ccc2-c1ccccc2)C(=O)O	PC-id_121007095	200.19	FCWZDDXZTFRYET-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007121
O=Cc1ccc2-c1ccc(cc2)C(=O)O	PC-id_145980306	200.19	DNAGBWCXWOOKLH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007122
C1C=C(/C=CC#N)C=c2c(=C1)[nH]c(=O)o2	PC-id_142272085	200.193	GNQWEBKORGQXDB-RQOWECAXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007123
s1c(c2OCCCOc2c1)C(=O)O	PC-id_24208765	200.212	KTFIDMGWTZTUHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007124
O=C1CCNS(=O)(=O)c2c1c[nH]c2	SCHEMBL5853602,PC-id_22065904	200.215	YMQLYQDNPGFEMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007125
O=C1CCNS(=O)(=O)c2c1[nH]cc2	SCHEMBL5851674,PC-id_22065882	200.215	ZCYFNMVBSKELTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007126
FC(c1nn(c2c1CCCCC2)C)F	PC-id_145769957	200.228	KVDQWUUFAALPRE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007127
FC(F)n1cc2C(N)CCCCc2c1	EMOLS-id_107482979,PC-id_83209038	200.228	WZKPBBRFBJPMIN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007128
c1(C(=O)OCC)ccc2-c(ccc2)cc1	TIMTEC393822,PC-id_4192293,ZINC22_154483,MCULE-6423088168,SCHEMBL5556244	200.233	PZACHSXAQGBGQE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007129
Cc1c(C)c(c2-c1ccccc2)C(=O)O	PC-id_54352550,SCHEMBL8166676	200.233	UGUHMJSVYVBYRR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007130
Cc1ccccc2-c1cc(c2C(=O)O)C	SCHEMBL2267128,PC-id_67340993	200.233	STYLPESHUZVKOU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007131
CC(c1ccc2-c1ccccc2)C(=O)O	PC-id_19606539,SCHEMBL8479916	200.233	JTLKKCOVEIJGPP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007132
CCOC(=O)c1cc2-c(c1)ccccc2	PC-id_56629126,SCHEMBL6208075	200.233	QUXMQIOEVUMQCT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007133
CCOC(=O)c1cccc2-c(c1)ccc2	PC-id_68950101,SCHEMBL4193217	200.233	MLCULQQMJPLFBE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007134
CC(=O)Oc1ccc2-c1ccc(cc2)C	PC-id_101135350	200.233	RQFGEZZBFAVRSC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007135
CC(=O)Oc1c(C)cc2-c1ccccc2	PC-id_101135347	200.233	ZPZYBIDXRIKRPA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007136
CC(=O)OCc1cc2-c(c1)ccccc2	PC-id_140114872	200.233	PPFFKOYUCSNVKL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007137
CC(=O)OCc1ccc2-c(ccc2)cc1	PC-id_92012927	200.233	ZFRWSBSVAVKPQC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007138
COC(=O)c1c2-c(ccccc2)cc1C	PC-id_11264110,SCHEMBL6053412,ZINC22_85223651,MCULE-7701905726,EMOLS-id_44469364	200.233	XUKZGJCCXHLQBP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007139
COC(=O)c1cc2-c(c1)ccc(cc2)C	PC-id_139386067,SCHEMBL21241138	200.233	CBVJTUAAJVCHBA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007140
O(c1c(c2-c(c1)ccccc2)C(=O)C)C	PC-id_11333128	200.233	UIULAKHUDZCEIM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007141
O=C(c1c2-c(cc1C)ccc(O)cc2)C	PC-id_85667448	200.233	XGPXRQJICBATHC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007142
O=C(c1c2-c(c(c1)C)ccc(O)cc2)C	PC-id_86148603	200.233	HIHSJIIEXSDNJG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007143
O(C(=O)c1c2-c(c(c1)C)ccccc2)C	PC-id_10104242	200.233	QLBHKORJFQBBFT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007144
O(C(=O)c1c2-c(ccc2)cccc1)CC	PC-id_56609350	200.233	FLTDSRFNBLQAEJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007145
OC(=O)c1c2-c(c(CC)c1)ccccc2	PC-id_10035678	200.233	GCMRYCLFZXCECP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007146
OC(=O)Cc1c2-c(c(c1)C)ccccc2	SCHEMBL10802848,PC-id_23317596	200.233	ZSHDTSXPNKXXAV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007147
OC(=O)Cc1c2-c(c(cccc2)C)cc1	PC-id_85915722	200.233	NZERHEYJTYNFRC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007148
O=C(OC)c1ccc2-c1ccccc2C	CNP0152961,SCHEMBL2267132,UNPD178797,PC-id_14262771	200.233	VECUFUHSQSGXTO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007149
O(C(=O)Cc1ccc2-c(cc1)ccc2)C	PC-id_54175105	200.233	OXSZFSYBHOWINA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007150
OC(=O)CCc1c2-c(cc1)ccccc2	SCHEMBL8479912,PC-id_53787028	200.233	DZFOYUKETLEICD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007151
OC(=O)CCc1c2-c(ccc2)cccc1	PC-id_13349655,SCHEMBL6053663	200.233	JSSYTGXRJHBWOV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007152
O=C(OCC)c1ccc2-c1ccccc2	SCHEMBL1665510,CNP0151651,PC-id_12947893	200.233	UWZLZRMWZHMWKH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007153
c12-c(c(c(c1C#C)C#C)C#C)ccccc2	PC-id_85773795	200.235	HSPFIQWDDZPVBT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007154
CC(=O)Cn1cnc2c1C(=C=CC=C2)C	PC-id_141911908	200.236	JUTKGXOIFAKOBP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007155
CC(=O)Nc1cc2-c(c1N)ccccc2	PC-id_121006863	200.236	RVFZKXGIERVJJU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007156
CN(C)c1c(c2-c(ccccc2)n1)C=O	SCHEMBL3286339,PC-id_86620348	200.236	LFCOBBDCYJSPBM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007157
O=c1nc2-c(n1CC1CC1)ccccc2	EMOLS-id_318802260	200.236	KPKLTRDXOVJTGS-UHFFFAOYSA-N	00100010100000000111000000000010000000000000000000000000	31-01-007158
O=C(NC)c1c2-c(c(N)c1)ccccc2	PC-id_45118083	200.236	FFTDSXXAZDVXFK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007159
O=C(NN)c1c2-c(c(c1)C)ccccc2	PC-id_42645702	200.236	HYCXMPKPNDNCKM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007160
C1CCC(=N)c2c([nH]cc2C#N)N=CC1	PC-id_137163077	200.24	HAHORDSBENJCNR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007161
CC(=NNc1nc2-c(n1)ccccc2)C	PC-id_121220969	200.24	AOVMYRRVJBUMDZ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-007162
CCOC1COc2c(OC1)csc2	SCHEMBL13701413,PC-id_57838392	200.255	MSQXWPGDZZXDGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007163
COCC1CCOc2c(O1)csc2	PC-id_121422656,SCHEMBL17853293	200.255	NTZRTBVZRBXCDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007164
COCC1COc2c(OC1)csc2	PC-id_121422652,SCHEMBL17853289	200.255	PKSOMFPXRCIYON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007165
OCC1(C)COc2c(OC1)csc2	SCHEMBL5804097,PC-id_24766154	200.255	ZSULUYYIFZYMIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007166
s1c(c2OCC(O)COc2c1C)C	PC-id_58766154	200.255	WPGHMPNZXTXBFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007167
Cn1c2c(CSCCC2)n(c1=O)O	PC-id_137399523,SCHEMBL20631160	200.258	MPHSSRAPCFFAKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007168
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COc1cc(c2-c1cc(C)ccc2C)C	PC-id_144405414	200.276	ICDFHRQOGILFDO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007170
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[N+](Cc1c2-c(cc1)ccccc2)(C)(C)C	PC-id_12484569	200.299	HXFIGQYCWJLNDT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007186
C1CCc2c(C(C1)O)sc(c2)S	PC-id_91205769,SCHEMBL19981500	200.321	ZCZSNAIXIJPKNA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007187
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[Si](c1cc2-c(c1)ccccc2)(C)(C)C	PC-id_11321599	200.352	BQTYRBMTZRIOGK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007197
C[C@H]1OCCc2n(C1)c(Cl)nc2C	PC-id_141409065	200.665	NFOJPLNSPUDQRS-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007198
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COC1=CC2=CC=CC=CC2=C1C(=O)[O-]	PC-id_162220714	201.056	ZUBUVCXABDBMHA-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-007202
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[B]C1=CCN=C2C(=C1)NC(=O)N2C(C)C	PC-id_164021538	201.107	KVIKRENTVVZJLZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007206
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CCCCC1=CCCCc2c1cc(o2)C	PC-id_102274449	204.308	HHSSSWQJYBHKMD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007488
FC(C1=CCn2c(C=C1)nnc2)(F)F	SCHEMBL19292587	201.149	PVSMKXGZDWCORI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007209
CC(C)C1=CC2=C(N1)C=CC(C=C2)(C)C	PC-id_153343935	201.152	IZVCLQJGDTWJDA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007210
CC(C)(C)C1=CC=C2C=CN(C2=CC1)C	PC-id_153553418	201.152	INEOIAYJBWYOSZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007211
o1c2-c(c(c1=O)C#N)ccccc2OC	PC-id_14972960	201.178	RQSVWTMSMPUZND-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007212
o1c2-c(c(c1=O)C#N)ccc(OC)cc2	PC-id_85623349	201.178	JJDQXYYNRZXZRI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007213
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FC(c1cn(c2c1CCOCC2)C)F	PC-id_145769769	201.213	HXXUBQIZONSJPY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007216
FC(F)n1cc2C(O)CCCCc2c1	EMOLS-id_107565998,PC-id_83207973	201.213	IROXXJXKNSWWQL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007217
Cn1nnc2c1CCCCCC2(F)F	PC-id_101481176,SCHEMBL17326667	201.216	FHQQMUBPJAARFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007218
Cn1nnc2c1C(F)(F)CCCCC2	PC-id_101481177,SCHEMBL17326665	201.216	OJFSZQKWOUTDKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007219
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CCOC(=O)c1cc2-c(n1)ccccc2	PC-id_101173217	201.221	AGZUYGQIICAZOP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007222
CCOC(=O)c1cnc2-c1ccccc2	SCHEMBL11198158,PC-id_12852664	201.221	GCFOBGSDWCZFSG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007223
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O=C(c1c2-c(nc(n2)N)ccc(c1)C)C	PC-id_14948690	201.225	XETNZJYDWVLXOJ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-007233
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Nc1n[nH]c2c1CCS(=O)(=O)CC2	PC-id_105453527	201.246	LZKQKERUDAQROR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007237
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CC(c1cccc2-c(c1)cc(=O)n2C)C	PC-id_20763159,SCHEMBL14288819	201.264	IRBGPIHCGBORQH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007241
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s1c2[n+]([nH]c1=S)CCCC(=O)C2	PC-id_33777987	201.289	GZVYTSNVARHUAQ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-007255
CC1(C=CC=c2c(=C1)cc[nH]2)C(C)(C)C	PC-id_66695453,SCHEMBL469673	201.307	KTEWRADUPWBWGZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007256
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Cc1cnc2n1C=CC(C#C2)/C(=NO)/N	PC-id_163721892	202.085	KSGRSXVAGOMOET-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007278
CC1(C=CC=C2C(=C1)C=NN2)C(C)(C)C	PC-id_153397797	202.147	VLHUACJKMZDTTB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007279
Nc1cc2n(CC(=O)NCC2(F)F)n1	EMOLS-id_324312163	202.161	LAEXAJSEKGTDQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007280
OC1(O)CCc2n(CC1(O)O)nnn2	PC-id_144470734	202.168	OSGOMDHCYCDASE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007281
OC1(O)CCC(c2n(C1)nnn2)(O)O	PC-id_144470732	202.168	DRDXJDXRBZYZPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007282
OC1(O)CCCC(c2n1nnn2)(O)O	PC-id_144470725	202.168	IZZACLSZYPLBNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007283
OC1(O)Cn2nnnc2CC(C1)(O)O	PC-id_144470739	202.168	XJMRXNWOQQYTDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007284
n12c([nH][nH][nH]c(c1N)C#N)c(nc2)C#N	PC-id_85107196	202.176	MMPJIRMXNHOFBB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007285
FC(c1nn(c2c1CCOCC2)C)F	PC-id_145769716	202.201	BMWLVJSHPMLHLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007286
Cc1nn(c2c1NCC(CN2)(F)F)C	PC-id_137205423,EMOLS-id_266166711	202.204	ZYULKXIZUCZNGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007287
NC1CCCCc2c(C1(F)F)n[nH]n2	PC-id_145215716	202.204	ABAWAQMLSZRFTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007288
CCC(=O)c1c(=O)oc2-c1ccccc2	PC-id_22634769,SCHEMBL6906776	202.206	DWTHAZYISYYHGC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007289
o1c2c(c(c1C)C(=O)C)ccccc2=O	PC-id_10921576	202.206	GDODGEGNVSJCCW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007290
Oc1c(c2-c(c1)ccccc2)C(=O)OC	PC-id_85560129	202.206	HTARQZYXQYTJDM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007291
CCC(=O)n1c(=O)nc2-c1ccccc2	PC-id_121218988	202.209	BDVXFBJWJAMWPR-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-007292
C/C(=NO)/c1c2-c(ccccc2)[nH]c1=O	PC-id_137167905	202.209	BVHLPRINBKHDIK-NTUHNPAUSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007293
CC(=NO)c1c2-c(ccccc2)[nH]c1=O	PC-id_137205390	202.209	BVHLPRINBKHDIK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007294
CC(=O)Nn1c(=O)cc2-c1ccccc2	PC-id_121221638	202.209	DOUHJVOQWDOAIQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007295
o1c2CC(C(=O)N(C=Cc2cc1)C)C#N	PC-id_10512289	202.209	JRNJWCMVDIBXIP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007296
OC(=O)/C=CC1=CC=Cn2c(C1)ncc2	PC-id_142170088	202.209	OYPDJYMXNQHYCB-ARJAWSKDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007297
CC(=O)N=c1ccccc2c1nc([nH]2)N	PC-id_136823056	202.213	YWPXOUJIIXWHAL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007298
NC(=O)c1c[nH]ccncc2n1ccc2	SCHEMBL17768966,PC-id_121351327	202.213	XDLORJXNFNTCNM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007299
s1cc2OCC(O)C(O)COc2c1	PC-id_60127760	202.228	IGRWTRFDCGWXPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007300
CCOC(=O)[n+]1ccc2-c1ccccc2	PC-id_69852603,SCHEMBL6649791	202.229	QVXGZUJTWWHCRE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007301
Nc1onc2c1CCS(=O)(=O)CC2	PC-id_105454253	202.231	QJHJUNOBTMOYEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007302
S1(=O)(=O)CCCNc2c1noc2C	PC-id_83819484	202.231	SQSBNGPWDNKGBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007303
S1(=O)(=O)CCn2c(nnc2N)CC1	PC-id_84670653	202.234	YVDFUZCXDNBCCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007304
CC1=CC(C)c2c(C=C1)oc(c2)C(=O)C	PC-id_143777900	202.249	XQKILBIMLFFOGE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007305
Cc1cc(=O)c2c(c(c1)C)c(oc2C)C	PC-id_144323424	202.249	XGLHGYDILXXFBL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007306
COC(c1cc2-c(c1)ccccc2)OC	PC-id_101900778	202.249	OZGQSCCYBAGFAN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007307
o1c2-c(cc(cc(CC)c2)CC)cc1=O	PC-id_11401433	202.249	QXYBUPCLWJAFKQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007308
o1c2c(cc(C(C)C)ccc2=O)c(c1)C	PC-id_14616509	202.249	VFSCIISSEKGNRP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007309
O(c1c2-c(c(CCO)c1)ccccc2)C	PC-id_85856813	202.249	QLJXJDGCAQQLLB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007310
O(c1c(c2-c(c1)ccccc2)CCO)C	PC-id_85856818	202.249	VHCLGFKSWYFYOJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007311
O=c1ccccc2c1oc(c2)C(C)(C)C	PC-id_101994746	202.249	SWOYYZQGSVPBSU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007312
Oc1c(C)cc(c2-c(c1C)ccc2O)C	PC-id_101618055	202.249	UYNMLOQGFXASNF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007313
O(c1c(c(O)c2-c1ccccc2)CC)C	PC-id_85768101	202.249	QQPHHBKVAGPOFC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007314
OCc1c(c(cc2-c(c1)ccc2)CO)C	PC-id_10899689	202.249	OIVLZDRXCSPUAN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007315
OCCc1c2-c(cc1)ccc(OC)cc2	PC-id_24974560	202.249	SDKUSXPKVHPMAK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007316
CC1C=Cc2c(C=C1)nc(n2C(=O)C)C	PC-id_142620444	202.252	AOLNZTDUTRJOBL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007317
CC1C=CC=c2c(=C1)nc(n2C)C(=O)C	PC-id_141840676	202.252	HQJBOPSSMQTBKO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007318
C/C=CC1=C(C)CNC(=O)c2n1ccc2	PC-id_143717882	202.252	LGEJAYZCFHBIKP-HYXAFXHYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007319
CCCc1nc2c(n1C)c(=O)cccc2	SCHEMBL11923711,PC-id_57774243	202.252	UWESAPUXAYMONF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007320
CCCCc1nc2c([nH]1)ccc(=O)cc2	PC-id_19102839,SCHEMBL9339148	202.252	YYDPYDLGWAOOBW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007321
CCCCn1c(=O)nc2-c1ccccc2	EMOLS-id_318790824	202.252	SPIQKTZEBRBGQV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-007322
CCCCOc1nc2-c(n1)ccccc2	PC-id_121007234	202.252	QESUVNIJHALLAR-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-007323
CC(=O)C1=Cc2c(C=NC1)[nH]c(c2C)C	PC-id_142848379	202.252	TXHZXZLXLQZTCN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007324
O=c1c2nc([nH]c2cccc1)CCCC	PC-id_11492142	202.252	UNGYYNNOOOXPQR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007325
O=c1c2nc([nH]c2cccc1)CC(C)C	PC-id_11658481	202.252	BGHSKFRLXLRNCT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007326
O=c1c2nc([nH]c2cccc1)C(C)(C)C	PC-id_58460232,SCHEMBL2508265,SCHEMBL12199282	202.252	UVHQUVCZRSEYEP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007327
O=c1c2n(nc(c2cc(cc1)C)C)CC	PC-id_15025744	202.252	YUGDITMWXNLYRK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007328
O=c1c2nn(c(c2cc(cc1)C)C)CC	PC-id_15025746	202.252	HUJQWBIVQUOWIK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007329
O=CN1Cc2cccn2CC(=C1C=C)C	PC-id_143333332	202.252	NBCMEIAYRKXGHF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007330
Cc1cn2c(n1)/C=C/CC/C=C/N=C2N	PC-id_144188833	202.256	VUCPSLALTQKBFU-YDFGWWAZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007331
CCCCCc1cccc2-c(n1)nnn2	SCHEMBL15640192,PC-id_90096367	202.256	XVJIVHPQFAFEHV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-007332
n12ncnc1C(CC(=C(C2)C)C)CC#N	PC-id_21827472	202.256	LXBYQPFZDAOQBV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007333
n1c(CC(C)C)c2-c(nc(n2)N)ccc1	PC-id_46236860	202.256	YXHAGUGXERLKMC-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-007334
n1(nc(c2c1c(=NNC)cccc2)C)C	PC-id_85995086	202.256	LEGTXXKRPIUDLY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007335
Cc1cc2c(s1)C(F)(F)CCCC2	SCHEMBL13330871,PC-id_70881293	202.264	FLDWQFKVIQRNDQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007336
Cc1sc2c(c1)C(F)(F)CCCC2	PC-id_122448232,SCHEMBL17970209	202.264	WLWLLAPPKWZPJL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007337
S(c1c2-c(c(c1)C=O)ccccc2)C	PC-id_25172568	202.272	QASWUIWTVAMPNW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007338
S(C(=O)c1ccc2-c(ccc2)cc1)C	PC-id_15496569	202.272	XSMSZEBWXULJEP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007339
C=CCSc1nc2-c(n1)ccccc2	PC-id_121217904	202.275	BFAQBZQMGRPQLR-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-007340
[SiH3]OC(=O)c1ccc2-c1ccccc2	SCHEMBL1478969	202.281	RIEOSCKZAKHMKD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007341
CC1C=Cc2c(C(=C1)C(C)(C)C)occ2	SCHEMBL18800524	202.292	HHXCYVFTWUZTTL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007342
C/C/1=CCc2ccoc2C/C(=C/CC1)/C	PC-id_101418179	202.292	RUZBTTZSTSBRAW-HFQMJBPSSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007343
CC(C1=CC(C)(C)c2c(C=C1)cco2)C	PC-id_142419857	202.292	NWAPWCOAMWCCSJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007344
CC(c1coc2c1C=CC=CC2(C)C)C	PC-id_142420147	202.292	CEMSLAKANBJWNW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007345
CCC(C1(C)C=Cc2c(C=C1)cco2)C	PC-id_145018103	202.292	OEWIJDVNKGRBHQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007346
CC1(C=Cc2c(C=C1)nc[nH]2)C(C)(C)C	PC-id_145086180	202.295	DKWOZAIVGRQXHV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007347
C/C/1=CCCNC/C(=c/c(=C1)/cc[nH]2)/C	PC-id_143553125	202.295	TTZICBKUSKTCFN-JUCDMGETSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007348
CCC1(C)C=Cc2c(C=C1)nc(n2C)C	PC-id_145161998	202.295	MXICZDOMGFRRON-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007349
C/C=c/1c(=C/C=C)c2c([nH]1)NCCCC2	PC-id_134267447,SCHEMBL19880720	202.295	NBSWSTWBSXUFBA-SLKLWNSISA-N	00000000100000000100000000000010000000000000000000000000	31-01-007350
CC(C1=CC(C)(C)C=Cc2c1[nH]nc2)C	PC-id_142558329	202.295	IFSJZBDINREVDK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007351
CC(C1(C)C=Cn2c(C=C1)ncc2)(C)C	SCHEMBL21130259,PC-id_138748560	202.295	LGZKWVFESVMSSC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007352
CC(c1c[nH]c2c1C=CN=CC2(C)C)C	PC-id_142610617	202.295	PVBNKXDGRXCXOO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007353
C=Cc1[nH]c2c(c1C=C)CCN(CC2)C	PC-id_143985565	202.295	ZBIMUMWVOVFMNT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007354
CC(C)C1(C=c2c(=CCC1=N)cc[nH]2)C	PC-id_90810251	202.295	RZRGJYGSHLOEBX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007355
CCCC1=Cn2cncc2C=C(C1)CC	PC-id_90822321	202.295	UOCNMLPGCGBDND-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007356
C[C@H](Cc1c[nH]c2=CC=CC(C=c12)C)N	PC-id_145426492	202.295	IQWIIWPITTXZFF-QVDQXJPCSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007357
CCn1c(nc2c1C=CC(C=C2)(C)C)C	PC-id_91439974	202.295	ZMFIXCSPOZANFT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007358
CC(n1ncc2c1C=CC(C=C2)(C)C)C	PC-id_142335218	202.295	TXWALBQKCQNLNC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007359
CCNCCc1c[nH]c2=CCC=CC=c12	PC-id_142861953	202.295	GNQIVCODMITJSD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007360
CNC1(C)C=CC(C)c2c(C=C1)[nH]cc2	PC-id_142541333	202.295	UYEQSBSJWQIYJK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007361
NCCc1c[nH]c2c1C=CC(C=C2)(C)C	PC-id_142191161	202.295	LGGHWKDBQAYRNY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007362
CC(C1=Cc2ccsc2C=C=C1)CC	PC-id_145127823	202.315	GBJUAXFJYAJTLY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007363
CCCc1ccc2-c1cc(S)ccc2	PC-id_17776169,SCHEMBL8336193	202.315	KHPXOVLXGUQPKD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007364
S1CCCSc2sccc2C1	PC-id_20737207	202.36	IASBAKYATQCSRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007365
s1sc2c(c1=S)CCCCC2	PC-id_9899146,CHEMBL1170051	202.36	RDSWYYMWWCLJQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007366
ClC1CCCCCc2oc(=O)oc12	SCHEMBL11095471,PC-id_20497967	202.635	ZPUYAIZHRIRQNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007367
Clc1nc2-c(c1C#N)ccccc2C	PC-id_12412705	202.64	VPHPTBHFBDSHJV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007368
Clc1nc2c(s1)C(=O)NCCC2	SCHEMBL2073986,PC-id_558817	202.661	VWTCSJKGUYWMIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007369
OB(n1c2CCC=CC(=O)c2c(c1)C)C	PC-id_59059681	203.045	UVJJBJKLCAJSMR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007370
C/C=C/C1=NC2=C(S1)C=CC(C=C2)C	PC-id_154662567	203.077	JWKBKPXNQKUFRV-ONEGZZNKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007371
[se]1cc2OCCCOc2c1	PC-id_59566418	203.097	GIPQWJGFBJUPNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007372
[B]C(CC)c1nn2CCCC(=O)Nc2c1	PC-id_163544984	203.123	CMNFMURRELEJBC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007373
COCCN
C=C/C/2=C/CC=CC/C=C21	PC-id_155073397	203.131	WHMSWHJLKCDHHZ-KQARBOBRSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007374
CC1(C=CC2=NN=CN2C=C1)C(C)(C)C	PC-id_153553681	203.142	IELQGOZYAMHVOM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007375
CC1(C=CC=C2C(=C1)N=NN2)C(C)(C)C	PC-id_149038527	203.142	QHCIVFCNOSGPFG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007376
CC(C)C1=NC(C2=CN=CN2C=C1)(C)C	PC-id_153348959	203.142	UHBKTIBAVSLTQT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007377
CC(C)C1=NN=C2N1C=CC(C=C2)(C)C	PC-id_149402577	203.142	YPRLREILTAUPEM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007378
c1ccc2-c([nH]c(=O)c2CC(=O)O)cc1	EMOLS-id_49437182,MCULE-5919360153,PC-id_91811034,ZINC22_238664755	203.194	YXZUAYZADHCSPX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007379
COc1cc(c2-c1ccccc2)[N+](=O)[O-]	PC-id_121216357	203.194	FEBMLRQPAMOTFU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007380
O=c1n(c2-c(c1)ccccc2)CC(=O)O	PC-id_12852668,SCHEMBL11272994	203.194	HKMVLKCUUVXOKJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007381
CCOC(=O)c1cnccc2-c1ncn2	PC-id_140089898	203.197	NTEPDLNCZNLZIM-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-007382
N#Cc1c2-c(cc1)c(cccc2C#N)C#N	PC-id_12027250	203.199	LOSUWMXEPZJVGJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007383
N#Cc1c2-c(c(c1)C#N)ccccc2C#N	PC-id_12027253	203.199	RMCIFMCBFRUNKZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007384
N#Cc1c2-c(c(c1)C#N)ccc(cc2)C#N	PC-id_12027254	203.199	GSHLWUZHMXBNFV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007385
N#Cc1c2-c(c(c1C#N)C#N)ccccc2	PC-id_24977287	203.199	ZSGBNXYUODEPRC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007386
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C1CCn2cc(nc2NC1)C(F)(F)F	SCHEMBL3843155,PC-id_136452134	205.18	AHDJSIRIRGKREW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007512
c1(C(F)(F)F)nnc2CCCCCn12	MCULE-5128592569,PC-id_135031721,EMOLS-id_324797199	205.18	VQMDWTAGSYMPIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007513
FC(c1cn2c(n1)CCCCN2)(F)F	PC-id_68811007,SCHEMBL3843153	205.18	AWAJMDRSGIXMFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007514
FC(c1cn2c(n1)CNCCC2)(F)F	SCHEMBL3840066,PC-id_68809854	205.18	AGOAPHYQDDGBND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007515
FC(F)(F)c1cc2CNCCCn2n1	MCULE-7683076538,EMOLS-id_303956611,PC-id_83882205	205.18	PHVGHJKUUQXOBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007516
FC(F)(F)c1nn2c(CCNCC2)c1	PC-id_83882206	205.18	YUDKNRZSMQVQTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007517
FC(F)(F)c1n[nH]c2c1CCNCC2	PC-id_84672973	205.18	GIMROOFIDGKXAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007518
FC(F)(F)c1n[nH]c2CCCNCc12	PC-id_83679456	205.18	FPWBTHRLVQAWRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007519
FCC(=O)c1c(=O)[nH]c2-c1ccccc2	PC-id_144080620	205.185	SRLMCHMCEVJXDM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007520
O(C(=O)c1nc2n(c1)C=CC(=NC2)C)C	PC-id_59932317	205.213	COPPABAPZWFQJK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007521
[N-]=[N+]=NC1CCc2c(NC1=O)ccn2C	SCHEMBL19037372	205.217	MFHJHCDZPVRKRA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007522
CCN=c1nc(c2c(c(n1)N)nc[nH]2)N	PC-id_135939021	205.22	XEMQVBAZGNEOSI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007523
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OC(=O)c1csc2c1C=CC=CN=C2	PC-id_69916492,SCHEMBL6849423,SCHEMBL6849431	205.233	VNRGKPJCJVCZEA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007525
CC(=O)C1=C(C)c2coc(c2CNC1)C	PC-id_101789540	205.253	PNVBVENEIIVHKK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007526
COC(=O)c1[nH]cc2c1CCC=CCC2	PC-id_122500440,SCHEMBL18030292	205.253	OHPVWGKHYLVAHC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007527
O1C(C(C)(C)C)C(=O)c2n(C=C1)ccc2	SCHEMBL9910967,PC-id_67962407	205.253	IZKIWHKFETVSFA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007528
OC(=O)c1n(C)cc2c1CCC=CCC2	PC-id_122480370,SCHEMBL18007263,SCHEMBL18007262	205.253	GPZZGTBMASKBNL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007529
Nc1c(c2-c(c1C#C)ccc(cc2)C)C#C	PC-id_54251302	205.255	QWYJCVMGVQDEPM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007530
S1(=O)(=O)NCOCc2c1scc2	PC-id_10655853	205.255	PKULBTTXXTWQIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007531
CC1CC(C(=O)c2c(C1=N)cn[nH]2)(C)C	PC-id_137156170	205.256	QEBDAYXXOUFRII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007532
CC1CC=Nc2c(C1=O)ncn2C(C)C	PC-id_91576366	205.256	DPVQQUVLWPACDC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007533
C=CCc1nn2c(c1)N(C)C(=O)CCC2	SCHEMBL18366953	205.256	LATMYAYRIXVNKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007534
CC=CC(=O)N1CCCc2c(C1)cn[nH]2	MCULE-3703622655	205.256	NOAKYJPMNFBKQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007535
C=CC(=O)N1CCCc2c(cnn2C)C1	ZINC22_585141565,MCULE-5693634114	205.256	VUOHFAXNBRDOGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007536
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O=c1n([nH]c2c1CCCCC2)CCC#N	PC-id_66022515	205.256	KRBHCTZUQNXHAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007538
O(Cc1nc2n(c1C)C=CC(=NC2)C)C	PC-id_59932302	205.256	DPVHIQHTPQPUGA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007539
C1=CC(C=C1)[CH+]c1ccc2-c(cc1)ccc2	PC-id_102300583	205.274	MWKDYFHQFKDBFI-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-007540
s1c2CCCC(C(=O)c2cc1C)C#N	PC-id_10058784	205.276	OCAYLXBBHSMMNC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007541
s1c2CCCC(C(=O)c2cc1)CC#N	PC-id_10726932	205.276	LYDHBZFOUNYSOT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007542
C=CCCn1cc2c(c1)CCCCC2O	EMOLS-id_313664457,PC-id_83208072	205.296	MNBGAQQCFDHFQR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007543
CCCCn1cc2c(c1)CCCCC2=O	PC-id_83205728,EMOLS-id_107615153	205.296	HOWUOVNTEUDNHU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007544
CC(=C)Cn1cc2c(c1)CCCCC2O	PC-id_83207774,EMOLS-id_313667528	205.296	UXHTYGWBSOULAK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007545
CC(Cn1cc2c(c1)CCCCC2=O)C	EMOLS-id_107663105,PC-id_83206678	205.296	LDRFRXKQKBUWKD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007546
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C[S+](Oc1cc2-c(c1)ccccc2)C	PC-id_139727587	205.296	ITESBEAGVZEVBW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007548
O=C1CCCCc2c1cc([nH]2)C(C)(C)C	PC-id_118520358,SCHEMBL17268376	205.296	KHHOWQQBDRYQQN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007549
OC1CCCCc2c1cn(c2)C/C=C/C	PC-id_83208340	205.296	FPLYLECAODHHAE-NSCUHMNNSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007550
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OCCc1c[nH]c2c1C(C)CC=CCC2	PC-id_117998035,SCHEMBL16622954	205.296	RZGWCUAJTMMTEH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007553
C1CCc2c(CC1)nc([nH]2)CNC1CC1	PC-id_63927613,EMOLS-id_40130533	205.299	ZPLGAVSSSMGBRZ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-007554
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C1CCCc2c(CC1)c([nH]n2)NC1CC1	PC-id_63048683,EMOLS-id_39560326	205.299	XETKRMRCGAWARE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-007556
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Cc1cn2CCCNC(CC3CC3)c2n1	MCULE-8871677359,EMOLS-id_303899568	205.299	BDQIKWLFXXGSQO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-007558
Cc1cn2CCCN[C@@H](CC3CC3)c2n1	MCULE-9065322309,EMOLS-id_208139511	205.299	BDQIKWLFXXGSQO-NSHDSACASA-N	00100000100000000101000000000010000000000000000000000000	31-01-007559
CC1CNCCc2c1n(nc2)CCC=C	SCHEMBL13971216,PC-id_89214020	205.299	HSKULVXOWHIVMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007560
CC1CN(CC(=C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319633404	205.299	SUSLZPDNIQOZFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007561
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CC1C=Cc2c(C=C1)nc(s2)C(C)C	SCHEMBL19362333	205.319	ISGYMIDFPABKCS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007564
CC1C=Cc2c(C=N1)sc(c2)C(C)C	PC-id_145372059	205.319	NQURZKLWHTZHET-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007565
CC1C=Cc2c(N=C1)cc(s2)C(C)C	SCHEMBL19362483	205.319	UDHPTSRPSGPISM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007566
CC1C=CC(C)C=c2c(=C1)sc(n2)C	SCHEMBL18958937	205.319	ILRCVDSOMYRTME-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007567
CC1=CC(C)(C)C=c2c(=C1)snc2C	PC-id_142411219	205.319	YJRXTRWQPKFNDR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007568
CC1C=CC(C)(C)C=Cc2c1ncs2	PC-id_142541330	205.319	YBVPZTAAYCTAAK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007569
CC(C1=CCC=c2c(=C1)scn2)CC	PC-id_144512963	205.319	WZEMFRWVYVFQSL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007570
CC(C1(C)C=CC=c2c(=C1)scn2)C	PC-id_143877838	205.319	UNGJRTIXTWHGNI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007571
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CNC1(C)C=CC=Cc2c1sc(c2)C	PC-id_142420258	205.319	JWIQNHOYRLGIQU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007573
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C1CCCCCc2cc(CCCC1)[nH]c2	SCHEMBL7475042,PC-id_13113257	205.339	DZNDJPUMMCCPRN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007575
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[nH]1c2CCCCCCC(C(C)C)c(c2)c1	PC-id_22081391	205.339	WHWXMEIBJBDBMQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007581
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CCC/C=C/1CCCCc2c1ccs2	SCHEMBL6992142	206.347	FYJWOVNHMRSVDW-IZZDOVSWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007713
s1c2CN(CCCCC=Cc2cc1)C	PC-id_85221862	207.335	FJHRKALBNBNCKT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007935
CCCC=C1CCCCc2c1ccs2	SCHEMBL6992144,PC-id_21712693	206.347	FYJWOVNHMRSVDW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007714
s1cc2c(CSSSC2)c1	PC-id_16742043	206.372	DQJJXMXILTUOMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007715
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OC(=O)c1c(Cl)cc2-c1ccccc2	PC-id_121216320	206.625	LIYLHGZFBUELAJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007718
Clc1c(c2-c(c1)ccccc2)CCO	PC-id_85856821	206.668	BNVDVBFAYALDAC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007719
Clc1cc2-c(c1)ccccc2OCC	PC-id_13465566	206.668	YQHKYNHZJAXCGS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007720
Clc1cc2-c(c1)ccc(OCC)cc2	PC-id_13465565	206.668	CKMHKZJZOJHLGU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007721
Clc1cc2-c(n1)ccc(cc2)N(C)C	PC-id_121222585	206.671	ZQRIHLCUZYRLQI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007722
C1=CC2=CC=CC(=CC2=C1)S(=O)(=O)N	PC-id_153948362	207.035	INJMRMUQLWYGNQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007723
COC(=O)C1=CC2=CNC=C2C=CS1	PC-id_153735060	207.035	BBHUPSAOGRBNMW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007724
C=CCn1nc2CC=CC(=Cc2n1)Cl	PC-id_163810810	207.056	NNBFVJLYOJKKGX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007725
ClC1(Cl)CCCc2n(nnn2)C1	PC-id_85769055	207.061	LBFFWYVHNMDHIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007726
ClC1(Cl)CCCCn2nnnc12	PC-id_21819678	207.061	VFINUJBRJMSGPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007727
CN1C(=O)C2=C(N1)CC=C(C=C2)[N+](=O)[O-]	PC-id_149486041	207.064	DTHKHHWMWLMNBS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007728
Brc1c2-c(cc1)ccccc2	PC-id_12288465	207.067	XMCRFNZRJRMLHL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007729
Brc1cc2-c(c1)ccccc2	EMOLS-id_262569053,PC-id_11310277	207.067	ODMXMWPTFILDLI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007730
Brc1cc2-c(ccc2)ccc1	PC-id_85915769	207.067	GNWZXRILMFSZRD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007731
Brc1ccc2-c(cc1)ccc2	PC-id_15468900,SCHEMBL6349081	207.067	GQZXUIWAOBMRRV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007732
C1=CSC=CC2=C(NC=C21)CCCO	PC-id_153717241	207.072	OIEVUDMSRKOCKY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007733
C1=CSC=CC2=CN(C=C21)CCCO	PC-id_153717242	207.072	MRBHOGASOFVVMM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007734
CC1=CCCC2=C(C1)SC=C2C(=O)N	PC-id_165143595	207.072	UTPYTAZEPDWXLU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007735
COC(=O)C1=C2CCCCC(=O)C2=CN1	PC-id_153617023	207.09	LEPPGSSTJTZLSU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007736
CNCC1C(=C)CCCC2=C1C=CS2	PC-id_163535572	207.108	DWRGXUGCHXRCFJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007737
C1CC1CC2=CC3=C(O2)CNCCC3O	PC-id_153838448	207.126	USAZOCYFCRYKPD-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-007738
C1CCCC2=C(CCC1)NC(=C2)C(=O)O	PC-id_163697908	207.126	JYMCZABTOKDQHZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007739
CC1(CCCC2=C(C1)C=C(N2)C(=O)O)C	PC-id_163878260	207.126	PQUUMLYAQGCHOJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007740
CC1CCCN2C=C(C=C2C1)C(=O)OC	PC-id_161821867	207.126	JYMKUBPURNQJRQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007741
Cc1nn2CC(=O)N(C(Cc2c1)(C)C)C	PC-id_164156337	207.137	ZJAUWSJNNHKUND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007742
CC(C)C1CCn2c(ccn2)N(C1=O)C	PC-id_163665455	207.137	IYARRPINMRYSAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007743
CCCC1=NN2CCCC(=O)N(C2=C1)C	PC-id_149630190	207.137	AEXYWCFWOVGMMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007744
CC1(CCCCCC2=C(C1)N(N=N2)C)C	PC-id_147102339	207.174	BKWYMOMWWMUYEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007745
CCCC1CCCCCC2=C1N=NN2C	PC-id_149230745	207.174	XKGFDOUQEVLVNL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007746
CC(C)C1CCCCCc2c1n(nn2)C	PC-id_163909598	207.174	QQYIQDCUNYQVBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007747
CC(C)C1=NN=C2N1CCCCCCC2	PC-id_155157557	207.174	YEOPECQUWRKGQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007748
CC(C)CN1C2=C(CCCCCC2)N=N1	PC-id_153311840	207.174	HXHUPRLXAZHIFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007749
CC(C)(C)N1C=C2CN(CCCC2=N1)C	PC-id_155175795	207.174	RPGJGXWMYXAIRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007750
CCN1CCCC2=NN(C=C2C1)C(C)C	PC-id_155175794	207.174	OGSKCQYMTPEPSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007751
c1(C=O)oc(C=O)c2CCCNC(=O)c12	PC-id_82610787,MCULE-5373795906	207.183	CDIOXDQHEOHWFZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007752
O=Cc1cc2c([nH]1)NCCC(=C2)[N+](=O)[O-]	PC-id_144038848	207.186	AOFIZJDIMXVGLW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007753
CCn1cnc2c1c(=O)[nH]c(nc2=O)N	SCHEMBL12724340,PC-id_68364841	207.189	DFAWSOLOXHUOCC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007754
O=c1nnc(=O)[nH]c2ncn(C(C)C)c12	PC-id_72243571	207.189	FLZRQOUKHDAOGZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007755
PC1=CCc2c(C=N1)nc([nH]2)C(C)C	PC-id_144046703	207.212	NFJNZCNOZURFBM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007756
COC(=O)c1c[nH]c2c1CCCCC2=O	SCHEMBL12466440,PC-id_68276400	207.226	OKPVPFPGNKYYLX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007757
o1c2CCCN(C(=O)c2c(c1)C)C(=O)C	PC-id_71398440	207.226	WOUAVBVTSBDFTG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007758
O=C1c2c([nH]cc2C(=O)OC)CCCC1	PC-id_20605660	207.226	HWIVMLFZLGYIOJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007759
O=C1CCCCc2c1c(C)c([nH]2)C(=O)O	EMOLS-id_313579257	207.226	APCUBTYOEGPOMV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007760
O=C1CC(CCc2[nH]cc(c12)C(=O)O)C	PC-id_22563910	207.226	FKOAHSGTBZWFQI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007761
O=Cc1cc2c(o1)CCN(CC2)C(=O)C	PC-id_96616936	207.226	QDDOHPWTHWSQIU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007762
S(=O)(Oc1c2-c(cc1)ccccc2)[O-]	PC-id_57166521	207.226	MUHPFGJDRPKVGU-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-007763
C=CN1CCCn2c(C1)cc(n2)C(=O)O	PC-id_144720923	207.229	QVBQEAVESAVGJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007764
CCOC(=O)C1C=NCCc2c1nc[nH]2	PC-id_91280053	207.229	DXYPEXAQPHWFRX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007765
CCOC(=O)C1=CNCCc2c1[nH]cn2	PC-id_58795742,SCHEMBL5420105	207.229	ZILKYTUHKAJMTH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007766
CC(=O)Nc1nn2c(c1)C(=O)CCCC2	PC-id_58563639,SCHEMBL13423938	207.229	SQKQNXPCGIMUCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007767
n12CCCCCc1nnc2C=CC(=O)O	MCULE-6044848985	207.229	UQAFPNTWVVHGIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007768
O=C1c2n(nc(c2CNC(=O)C1C)C)C	PC-id_59908933	207.229	NSPYYMYAJPNHSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007769
O=C1CCCn2c(N1C)cc(n2)C(=O)C	SCHEMBL19659203	207.229	ATMLLTUOROQRSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007770
O=C1C(CC(=O)Nc2c1n(nc2C)C)C	PC-id_59908927	207.229	RGABBNHPIRDGPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007771
O=C1[C@H](C)NC(=O)c2c(N1C)ccn2C	PC-id_101879179	207.229	HFGLUBYLUJYTEO-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-007772
O=C1C(O)N=Cc2c(N1C)cn(c2C)C	PC-id_141546558	207.229	CAENOTGTBVQDNA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007773
OCc1n2c(nc1CO)CN=C(C=C2)C	PC-id_59932313	207.229	RBOVNIMXJRUKIQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007774
O=CN1CCCn2c(C1)cc(n2)C(=O)C	PC-id_144720889	207.229	GWNYVYAJVABJKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007775
OC(=O)/C=C/c1nnc2CCCCCn12	ZINC22_96509940,EMOLS-id_49181766,PC-id_97617296	207.229	UQAFPNTWVVHGIN-AATRIKPKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007776
O/N=C/1CCN(C(=O)c2c1n(C)cc2)C	PC-id_141918514	207.229	JUCORUMGRCSHGA-DHZHZOJOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007777
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C=CC(=O)N[C@@H]1CCc2nnnn2CC1	ZINC22_863970171	207.232	CDIWRQFWTMBUSV-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007779
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O=C(N)c1ncn2CCN(CC)C=Nc12	PC-id_24976076	207.232	ITFYSZKUUIJHST-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007781
CCCn1nc(c2=CC(=CCC=c12)N)F	PC-id_144306076	207.247	KHPDJHQVAJADHA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007782
CC#CCOc1noc2c1C[NH2+]CCC2	GLL_PC-id_22163559	207.249	CSZKGNGJTIBXTD-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-007783
C#CCOc1noc2c1C[NH2+]CC[C@@H]2C	GLL_PC-id_10081715	207.249	YUAXCMATZNBPLK-QMMMGPOBSA-O	00000000100000000101000000000010000000000000000000000000	31-01-007784
COC1=c2cc(sc2=NC=CC1)C=O	PC-id_143488113	207.249	HQDZDAKZJKBVLP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007785
NS(=O)(=O)c1ccc2-c1ccccc2	PC-id_140726796	207.249	NVSSQBZDPYENQP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007786
OC(=O)c1sc2c(c1N)CC=CC=C2	PC-id_141847968	207.249	XXKFNCMNRPJHPS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007787
CNC(=O)N1N=CC=Cc2c1ccs2	SCHEMBL11741522,PC-id_68121948	207.252	OJHNWVYEKJWCTN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007788
CC(c1c[nH]c2c1CCCCC2)C(=O)O	PC-id_69867886,SCHEMBL6691774	207.269	AAYFCXMDHNOZRA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007789
Clc1c2-c(c([N+](=O)[O-])c1)ccccc2	PC-id_17123446	207.613	HRSBLQORLJSZDA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007936
CC(Cn1cc2c(c1)CCCCC2=O)O	EMOLS-id_266302668,PC-id_83207490	207.269	DEIVGTCLNWAWLG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007790
CC(C(=O)c1onc2c1CCCCC2)C	PC-id_112713525	207.269	JYLOBPAPCJHSEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007791
CCOCn1cc2c(c1)CCCCC2=O	EMOLS-id_266302354,PC-id_83206546	207.269	NEEWJKQOSZSAPJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007792
CCOC(=O)c1cc2CCCCCc2[nH]1	PC-id_139035185,EMOLS-id_323906954,MCULE-7427550731,ZINC22_259860007	207.269	AGGVUKQHUDLYRA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007793
CCOC(=O)C1CCCCn2c1ccc2	PC-id_20484078,SCHEMBL11199992	207.269	LLBJXHLSKLXOCE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007794
COCCn1cc2c(c1)CCCCC2=O	EMOLS-id_266302232,PC-id_83206845	207.269	RMDTUUUSCSZKRO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007795
C[S+](c1c(=O)oc2-c1ccccc2)C	PC-id_102393733	207.269	PECCLBBQVLMYIY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007796
o1c2CN(CC3CC3)CCC(O)c2cc1	SCHEMBL2841889,PC-id_68412220	207.269	XNSCSNLVHNNBED-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-007797
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OC(=O)c1c2c([nH]c1CC)CCCCC2	PC-id_82395618	207.269	MDRCKBGUCXXISU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007799
O(C(=O)c1c2n(CCCCC2)cc1C)C	PC-id_13864186	207.269	QRXQYVCKBPMIIS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007800
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O(C(=O)Cc1[nH]c2c(CCCCC2)c1)C	PC-id_23249894	207.269	SXTRILWCIOVMNY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007802
OC(=O)CCc1c2CCCCCc2[nH]c1	PC-id_60113751,SCHEMBL6691776	207.269	XRYDVNBBHXXOLW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007803
OC(=O)CCc1cn2c(CCCCC2)c1	PC-id_82659617	207.269	GOPVIOVEKICMPY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007804
c12CC(CCCc1cnn2CC)C(=O)N	EMOLS-id_75547734,MCULE-4046135146	207.272	SVXNVGSOQKJTOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007805
c1(C(=O)NC)c2CCCCCCc2[nH]n1	MCULE-2647002621,EMOLS-id_33046564,SCHEMBL18131065,PC-id_53017390	207.272	ZAPVETAGTYXLAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007806
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CC1CCn2c(N(C1=O)C)c(nc2C)C	SCHEMBL19659312	207.272	PLFTUQXIZXGCAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007808
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Cc1nn2CCCCCc2c1C(=NO)C	PC-id_88278079	207.272	YQJXWNMYMGUQNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007810
CC(c1cc2n(n1)CCCC(=O)N2C)C	SCHEMBL19658978	207.272	PEUJXHVHMLALBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007811
CC(c1ncn2c1CNC(=O)CC2)(C)C	PC-id_59825801,SCHEMBL14030434	207.272	UQPXABSZIBPJSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007812
CCc1n[nH]c2c1CN(CCC2)C(=O)C	PC-id_134420840,SCHEMBL20053806	207.272	UMAFDHRGBGEMHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007813
CC(C)(C)c1cc2C(=O)NCCCn2n1	EMOLS-id_317749995,MCULE-2025515823,PC-id_154702929	207.272	VPUWUEFBOKUMHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007814
CCCCn1cc2c(n1)CCCNC2=O	EMOLS-id_177342057,ZINC22_585123061,MCULE-6263076297	207.272	SQDWPDXEKCCZAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007815
C=CCN1CCCc2c(C1)c(OC)[nH]n2	EMOLS-id_316185970,PC-id_136589801	207.272	QAMHLAIZESVYEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007816
CCCN1CCCC(=O)c2c1nn(c2)C	PC-id_89842216,SCHEMBL15307206	207.272	WOACNRPXCJMXGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007817
C=CCOCc1ncn2c1CNCCC2	EMOLS-id_50369651,ZINC22_306140858	207.272	VFLSMFXIRAZLTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007818
CCC(=O)N1CCCc2c(C1)c(C)[nH]n2	SCHEMBL17518082,PC-id_118882455	207.272	BEGFSWHNVYELJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007819
CCC(=O)N1CCCc2c(C1)cnn2C	PC-id_92585314	207.272	FRGHAQZXBZAFNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007820
CCn1ncc2c1C[C@H](C(=O)N)CCC2	ZINC22_575425579	207.272	SVXNVGSOQKJTOU-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007821
CCn1ncc2c1C[C@@H](C(=O)N)CCC2	ZINC22_575425580	207.272	SVXNVGSOQKJTOU-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007822
CC(=O)Cc1nn2c(c1)N(C)CCCC2	PC-id_96862866	207.272	OASOGUUOARNKBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007823
CC(=O)N1CCCc2c(C1)c(C)nn2C	SCHEMBL17232686,PC-id_118491669	207.272	GVBJONOHULVYFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007824
CNC(=O)c1nn(c2c1CCCCC2)C	PC-id_137437365,SCHEMBL20674215	207.272	RAKHOSRXKZUQES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007825
CNC(=O)CC1CNCc2cccn2C1	EMOLS-id_313810735	207.272	WXOVWKYOUORHAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007826
CNC(=O)C[C@@H]1CNCc2cccn2C1	ZINC22_585099233	207.272	WXOVWKYOUORHAT-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007827
CNC(=O)C[C@H]1CNCc2cccn2C1	ZINC22_585099234	207.272	WXOVWKYOUORHAT-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-007828
CNC(=O)Cn1cc2c(n1)CCCCC2	ChEMBL-DNDi_CHEMBLC881-1078,PC-id_53298259	207.272	OUYYKESIFNFULH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007829
NC(=O)Cn1cc2c(c1)CCCCC2N	PC-id_83208043,EMOLS-id_313565381	207.272	AAHJHXAQWHGQKT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007830
NC(=O)Cn1nc2c(c1)CCCCCC2	EMOLS-id_44157114,MCULE-5609830327,PC-id_53015635	207.272	ZKKMBMFWCLWGMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007831
O=C1Cc2ncn(C(C)(C)C)c2CNC1	PC-id_58226955	207.272	CQEHWMSEDPGWQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007832
O=C1CCc2n(CN1)cnc2C(C)(C)C	SCHEMBL14030435,PC-id_59825794	207.272	DVVITDURHHVJHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007833
O=C1C(C)CCn2c(N1C)c(C)c(n2)C	SCHEMBL19659258	207.272	VSIPRBMQZZFCGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007834
O=C1Cn2nc(cc2CCN1C)C(C)C	SCHEMBL21334689,PC-id_139468825	207.272	IKDWKNXSDCBBPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007835
O=C1Nc2c(CCC1N)n(c(c2C)C)C	SCHEMBL19037566	207.272	LSZCESCAYOPJNO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007836
O=C1Nc2c([nH]c(c2C)CCN)CCC1	PC-id_82611136	207.272	MLDDZTKDCANNNH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007837
O=C(N1CCc2[nH]c(cc2CC1)CN)C	PC-id_82611137	207.272	ZJRHZPJRHWUPRM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007838
O=CN1CCCn2c(C1)cc(n2)C(C)C	PC-id_144720845	207.272	KMPCYCUDNGBRBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007839
O=C(NC)c1cn2CCCN(Cc2c1)C	PC-id_58465861	207.272	BBBQTKHWNBJFKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007840
O/N=C(c1c(C)nn2c1CCCCC2)/C	SCHEMBL8312127	207.272	YQJXWNMYMGUQNZ-LCYFTJDESA-N	00000000100000000101000000000010000000000000000000000000	31-01-007841
n12nc(cc1N(CCCC2)C)CC(=N)N	PC-id_83676850	207.275	MVGHFXLXSXYCJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007842
C=CC(=O)N1CCCc2sccc2C1	ZINC22_1353213860,PC-id_134274817,SCHEMBL19889035,MCULE-1986701596	207.292	DPYDPNLDDJPNMY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007843
C=CC(=O)N1CCCCc2sccc12	MCULE-3820129093,ZINC22_952884926	207.292	SHIASNRJPNPSSO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007844
CNSc1cc2c(o1)C=CC(C=C2)C	PC-id_143585766	207.292	VAHUURVCVRQUKD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007845
COC1(C)C=Cc2c(C=C1)nc(s2)C	PC-id_143249558	207.292	XHSOSOFYGARNTR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007846
OCc1nc2c(s1)C=CC(C=C2)(C)C	PC-id_143294089	207.292	PANRZGSJRVVTHZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007847
CC1=Cc2nn(cc2C=NC(C1)C)S	PC-id_134408641,SCHEMBL20040535	207.295	XCQIHLYWRITTCY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007848
CC1=CC(C)N=Cc2c(C1)nn(c2)S	PC-id_145446037	207.295	QEYXJAFJALTHTE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007849
C#CCN1CCc2c(CC1)nc(s2)N	PC-id_19985967,SCHEMBL7291516	207.295	WRXGGGQMTDDGGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007850
C#CCSc1nnc2n1CCCCC2	EMOLS-id_37185806,PC-id_60626199	207.295	AKJQUCFVTYLRTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007851
CSCCn1cnc2c1N=CCC=C2	PC-id_142116358	207.295	OMVYWBKZFXWORH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007852
C1CCCCCc2c(CCCC1)noc2	PC-id_102187055	207.312	UXEPAFJZAGUKRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007853
CCCCn1cc2c(c1)CCCCC2O	EMOLS-id_260987628,PC-id_83207863	207.312	KDOCXPHSIOSSJP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007854
CC(Cn1cc2c(c1)CCCCC2O)C	PC-id_83208552,EMOLS-id_260771098	207.312	QGDFZDYYUSRLHO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007855
o1c2CCCCCCCCCc1nc2C	PC-id_12637119	207.312	XMDTWOOASNPIRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007856
o1c2nc(CCCCCCCCCC2)c1	PC-id_11629827	207.312	UUHZBAYGFLZLMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007857
o1cnc2c1CCCCCCCCCC2	PC-id_162297,MCULE-8869507719,SCHEMBL717035	207.312	LUVGCXAXOHXTEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007858
CC1CCCCc2ncnn2CCCC1	PC-id_90714680	207.315	JDWBWYPHZJJRLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007859
CC1CCC(C)CCCc2c(C1)[nH]nn2	SCHEMBL17662387,PC-id_121263347	207.315	OMZSIIMLSBCQMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007860
CC1CC[C@H](C)CCCc2c(C1)[nH]nn2	SCHEMBL17664781,PC-id_121265033	207.315	OMZSIIMLSBCQMM-YHMJZVADSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007861
ClC(=O)c1c2-c([nH]c1=O)ccccc2	PC-id_10375751	207.613	CTBRUVSPFQTFHT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007937
Cc1cn2CCCNC(c2n1)C(C)(C)C	EMOLS-id_208139448,MCULE-7204785427	207.315	NPXNHZHRIJRYJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007862
Cc1cn2CCCN[C@@H](c2n1)C(C)(C)C	MCULE-5451326060,EMOLS-id_208139481	207.315	NPXNHZHRIJRYJA-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-007863
Cc1[nH]nc2c1CN(CCC2)C(C)(C)C	SCHEMBL17232660,PC-id_118491644	207.315	JLZBZHMAVXVERR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007864
Cc1nnc2CCC(CCn12)C(C)(C)C	MCULE-1133104619,EMOLS-id_337831438	207.315	VBYXTUZREPOALV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007865
Cc1nnc2n1CC[C@@H](C(C)(C)C)CC2	ZINC22_2356139626	207.315	VBYXTUZREPOALV-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-007866
Cc1nnc2n1CC[C@H](C(C)(C)C)CC2	ZINC22_2356139628	207.315	VBYXTUZREPOALV-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007867
CC(C1CCCCCc2c1nnn2C)C	PC-id_138461473,SCHEMBL20805965	207.315	LTTXPTIZQBSTKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007868
CCC1(C)CCCCc2c(C1)nnn2C	PC-id_118680753,SCHEMBL17461907	207.315	KDELWIZFDXWSNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007869
CCC1(C)CNCCc2c1c(C)n(n2)C	PC-id_144812732	207.315	IXYRCNMDNJQFEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007870
CCc1cn2CCCNC(C(C)C)c2n1	MCULE-2686660304,EMOLS-id_208139562	207.315	AMEVDHZMTGFMFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007871
CCc1cn2CCCN[C@H](C(C)C)c2n1	MCULE-2407411405,EMOLS-id_208139616	207.315	AMEVDHZMTGFMFR-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007872
CCc1cn2CCCN[C@@H](C(C)C)c2n1	MCULE-3713702477,EMOLS-id_208139607	207.315	AMEVDHZMTGFMFR-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-007873
CC(CC1CCCCn2c1nnc2)(C)C	SCHEMBL18576832	207.315	IIBKGUKNVHDOQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007874
CC(CC1CCCn2c(C1)nnc2)(C)C	SCHEMBL18573826	207.315	ULOGFKHRDFISRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007875
CCCc1cn2CCCNC(CC)c2n1	EMOLS-id_208139694,MCULE-9286871904	207.315	MZRVLEHOZOEZRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007876
CCCc1cn2CCCNC(C)(C)c2n1	MCULE-7866737649,EMOLS-id_208139703	207.315	CKPRYNKULWNDMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007877
CCCc1cn2CCCN[C@@H](CC)c2n1	EMOLS-id_208139736,MCULE-5563484499	207.315	MZRVLEHOZOEZRG-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-007878
CCCc1cn2CCCN[C@H](CC)c2n1	MCULE-2213807768,EMOLS-id_208139745	207.315	MZRVLEHOZOEZRG-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007879
CCCC1NCCCn2cc(CC)nc12	MCULE-2055502370,EMOLS-id_208139577	207.315	NSKUQFLFLDQBPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007880
CCC(c1nnc2n1CCCCCC2)C	MCULE-4084362709,EMOLS-id_324054131,PC-id_146108399	207.315	VRUMXVDGOZEQRR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007881
CCC(C)C1NCCCn2cc(C)nc12	EMOLS-id_208139430,MCULE-2517402920	207.315	JKKRPTPXWIHLBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007882
CC(C)CC1NCCCn2cc(C)nc12	MCULE-6471397787,EMOLS-id_208139415	207.315	PRNLISKVSDINQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007883
CCCCC1NCCCn2cc(C)nc12	MCULE-8471868933,EMOLS-id_208139424	207.315	JYHZLFCZKAMORJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007884
CC(C)(C)c1nnc2n1CCCCCC2	MCULE-7800934227,SCHEMBL14030255,EMOLS-id_317730464,ZINC22_202802045,PC-id_59825841	207.315	WNGKBDNRTWHJQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007885
CC(C)C[C@H]1NCCCn2cc(C)nc12	EMOLS-id_208139469,MCULE-7921047212	207.315	PRNLISKVSDINQX-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007886
CC(C)C[C@@H]1NCCCn2cc(C)nc12	MCULE-3605555515,EMOLS-id_208139460	207.315	PRNLISKVSDINQX-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-007887
CCC[C@H]1NCCCn2cc(CC)nc12	MCULE-1720879225,EMOLS-id_208139622	207.315	NSKUQFLFLDQBPI-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007888
CCCCn1c2c(CCCCCC2)nn1	PC-id_89988976,SCHEMBL15498458	207.315	HOPQTYGPXMXQKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007889
CC(C)(C)n1c2c(CCCCCC2)nn1	SCHEMBL15498239,PC-id_89988862	207.315	KTUYCOCECPCDIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007890
CCCCn1ncc2c1CCCCC2N	PC-id_107384405	207.315	QJCIXQGSIQGDMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007891
CC[C@H](C)c1nnc2n1CCCCCC2	ZINC22_630952070	207.315	VRUMXVDGOZEQRR-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-007892
CC[C@@H](C)c1nnc2n1CCCCCC2	ZINC22_630952071	207.315	VRUMXVDGOZEQRR-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007893
CC[C@H](C)[C@@H]1NCCCn2cc(C)nc12	EMOLS-id_208139454,MCULE-3875926649	207.315	JKKRPTPXWIHLBU-ONGXEEELSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007894
CC(CN1CCCc2c(C1)c(C)[nH]n2)C	PC-id_118491642,SCHEMBL17232658	207.315	VJZKISUEFWUCMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007895
CC(Cn1ncc2c1CCCCC2N)C	PC-id_107384338	207.315	NRESJXANDIAMNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007896
CCCn1ncc2c1CCCCC2NC	PC-id_107384389	207.315	TVGGCEDJCKOWKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007897
CCC(n1ncc2c1CCCCC2N)C	PC-id_107384409	207.315	OZLSKNYEPMPLJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007898
CC(C)n1ncc2c1C[C@@H](CN)CCC2	ZINC22_575424768	207.315	MMAUIXWSPLVZIP-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-007899
CC(C)n1ncc2c1C[C@H](CN)CCC2	ZINC22_575424769	207.315	MMAUIXWSPLVZIP-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007900
CC(C)n1ncc2CCCC(CN)Cc12	MCULE-3074275592,EMOLS-id_75547834	207.315	MMAUIXWSPLVZIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007901
CC(C)n1ncc2CNCC(C)(C)Cc12	MCULE-1642206012,EMOLS-id_317478358	207.315	UPSWDQOANQDAPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007902
CCCNC1CCCCc2c1cnn2C	PC-id_107384259	207.315	XTVCJBJCBQFING-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007903
CC(CNc1[nH]nc2c1CCCCC2)C	EMOLS-id_39560554,PC-id_63049553	207.315	KPPKBNZFMNYQSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007904
CCCNc1[nH]nc2c1CCCCCC2	EMOLS-id_39560006,PC-id_63048145	207.315	URMUONQNNCGNQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007905
CCCNCc1nc2c([nH]1)CCCCC2	EMOLS-id_40130493,PC-id_63927410	207.315	KAMPQUBSSXFCLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007906
CCCNCc1n[nH]c2c1CCCCC2	PC-id_62113178,EMOLS-id_38796925	207.315	ASXWQBFKVAUWRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007907
CCN1CCCc2c(C1)c(n[nH]2)C(C)C	PC-id_118489262,SCHEMBL17229735	207.315	QGQASJLRHVFYEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007908
CCNC1CCCCc2c1cnn2CC	PC-id_107384387	207.315	FMOBSUSYHGTCBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007909
CC(Nc1[nH]nc2c1CCCCC2)(C)C	EMOLS-id_39560456,PC-id_63049211	207.315	OAZZPBODOATGGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007910
CC(Nc1[nH]nc2c1CCCCCC2)C	PC-id_63048495,EMOLS-id_39560166	207.315	IQIYHGZLPVVNGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007911
CC(NCc1nc2c([nH]1)CCCCC2)C	EMOLS-id_40130513,PC-id_63927415	207.315	BAEJPDYJTRWDCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007912
CCNCc1[nH]c2c(n1)CCCCCC2	EMOLS-id_40130451,PC-id_63927206	207.315	SMNNAHYXMBHTHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007913
CC(NCc1[nH]nc2c1CCCCC2)C	PC-id_62113179,EMOLS-id_313768589,EMOLS-id_38796927	207.315	DQOKRSJCNDLLGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007914
CN1CCCc2c(C1)c(C)nn2C(C)C	SCHEMBL17469548,PC-id_118687429	207.315	ILADYGQWCQNTRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007915
CN1CCCn2c(C1)cc(n2)C(C)(C)C	SCHEMBL12024993,PC-id_58540360	207.315	ZGFVRRPMZKWLCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007916
Cn1nnc2c1CCCCC2C(C)(C)C	PC-id_139470208,SCHEMBL21336170	207.315	AONPEIYGFFLJDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007917
Cn1nnc2c1CCCCCC(C2)(C)C	SCHEMBL17987654,PC-id_122463065	207.315	PPHVMOQNAOWESV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007918
Cn1nnc2c1CCCCC(CC2)(C)C	SCHEMBL19576178	207.315	XMCRBQGNNZYQAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007919
CNC1CCCCc2c1cnn2C(C)C	PC-id_107384381	207.315	GKEHSYORXKBJTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007920
n1(c2CCCCCc2nc1CC(N)C)C	PC-id_83848563	207.315	AISFQNUBKFEGJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007921
n1(nc2c(CCCCC2)c1NC)C(C)C	PC-id_83862790	207.315	IQFAWCFTWYDLTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007922
n1(nc(C(C)(C)C)c2c1CCCNC2)C	PC-id_84675629	207.315	RZNCFEGAJASSOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007923
n1(nc(C(C)(C)C)c2c1CCNCC2)C	PC-id_84675628	207.315	SQOSQUJGEMRRAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007924
NC1CCCCc2c1cnn2C(C)(C)C	PC-id_107384301	207.315	URRYXNFFXTXJOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007925
NCc1c2CCCCCc2nn1C(C)C	PC-id_112711123	207.315	DREUXOFNDONTTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007926
[nH]1nc(c2CCCCCc12)C(N)C(C)C	PC-id_83848555	207.315	UNFPQCIBJVBEEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007927
C=CC(c1cc2c(s1)CCCCC2)N	PC-id_105001070,EMOLS-id_266307735	207.335	JLRMYQRMNCIDPM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007928
CNC[C@H]1C(=C)CCCc2c1ccs2	SCHEMBL18723791	207.335	DWRGXUGCHXRCFJ-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-007929
[n+]12CCCCCCCCCCn(c1)cc2	PC-id_86214726	207.335	SMDCJAJOXPBFPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007930
[NH+]1(CCCn2c(C1)ccc2)CCCCC	PC-id_40600980	207.335	UCUWWLKYFVZCMH-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-007931
s1c2c(CN(CCCC/C=C/2)C)cc1	PC-id_10679851	207.335	YXMGDOWKQWHNTO-GQCTYLIASA-N	00000000100000000110000000000010000000000000000000000000	31-01-007932
s1c2c(CN(CCCCC=C2)C)cc1	PC-id_85230560	207.335	YXMGDOWKQWHNTO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007933
s1c2CN(CCCC/C=C/c2cc1)C	PC-id_10655952	207.335	FJHRKALBNBNCKT-GQCTYLIASA-N	00000000100000000110000000000010000000000000000000000000	31-01-007934
CCOc1ccc2-c(cc1)cc(n2)Cl	PC-id_121218712	207.656	AHPPASPUZFNJIE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007938
CCOc1ccccc2-c1cc(n2)Cl	PC-id_121218713	207.656	MODYOQDNPMOEKL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007939
Clc1ccc2-c(c(c(=O)n2C)C)cc1	PC-id_10976671	207.656	RUEWZCKQOMEXGC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007940
COc1nc2-c(c1Cl)ccccc2C	PC-id_101768723	207.656	QNHIZUFYKIVZSB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007941
C1C2=C(C=CN=C1C(=O)NO)SC=C2	PC-id_153721281	208.031	MMOSZXPIZXFKCL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007942
C1=COC=CC2=C1C=C(S2)C(=O)NN	PC-id_153994455	208.031	JCTAODDLVUJJHA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007943
CC1=C(C2=C(C=CO2)C(=O)OC1=O)OC	PC-id_153362052	208.037	HHJGLUVFPKUUBJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007944
CCOC1=NC2=CC=C(C=CC2=N1)Cl	PC-id_154381146	208.04	DHOKWDIQXBOLMP-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-007945
C1=CSC2=C1N(C=CN=C2)C(=O)NN	PC-id_153919154	208.042	HIONDCFPEGCONC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007946
Brc1c2-c(ccccn2)cc1	PC-id_13486334	208.055	ZHBDSZCZYFYKRF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007947
Brc1c2-c(ncccc2)cc1	PC-id_13486335	208.055	XXOLNNJHZZYBKG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007948
Brc1cc2-c(ncc1)ccc2	PC-id_13486331	208.055	OZHSLWHYABYUOM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007949
Brc1nc2-c(c1)ccccc2	PC-id_71307722	208.055	BINBOBVHXSKLTQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007950
C1C=CC=CC2=C1N=C(S2)NCCO	PC-id_163850310	208.067	OTUMBHLLCORAGD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007951
CC1(C=CC=C2C(=C1)N(C(=O)N2)C)S	PC-id_164159048	208.067	ZLINTBBHNDOIRI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007952
CC1=C(N=C2N1CCCC(=O)N2)C(=O)N	PC-id_154021317	208.096	QQGMJDVSNIJRGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007953
CC(C)N1CC(=O)NC2=C(C1=O)NN=C2	PC-id_153373159	208.096	IEOIZGUHKWUPIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007954
COC1CCCN2C=C(C=C2C1)C(=O)N	PC-id_153364341	208.121	UPTUJCATFLYPRX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007955
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CCC1CCC2=C(SC(=C2CC1)C)C	PC-id_155032307	208.129	PBDVGGGDUHTCSC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007957
CC1CCN2C(=C(C=N2)C(C)(C)C)OC1	PC-id_160950555	208.158	CTKILPDWNVYKDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007958
CC1CCOC2=C(C=NN2C1)C(C)(C)C	PC-id_160950556	208.158	RYGOITWIMAYUIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007959
CCC1=C2N(C(CCCO2)(C)C)N=C1C	PC-id_153396083	208.158	KUKOMLIEZQJYRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007960
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C[C@H]1CCOC2=C(C=NN2C1)C(C)(C)C	PC-id_160453717	208.158	RYGOITWIMAYUIC-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-007962
COC(=O)C1CCCc2c(C1=O)cco2	SCHEMBL3147488,PC-id_68528872	208.211	XCIGFZXCPBWWBB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007963
COC(=O)C1CCCc2c(C1=O)occ2	SCHEMBL3135266,PC-id_68524508	208.211	FSRBQKYZEUGLIN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007964
CC(N1C(=O)NCc2c(C1=O)cco2)C	PC-id_102501632	208.214	PJDBRZDEQMHWTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007965
COC(=O)C1CCCn2c(C1=O)ccn2	SCHEMBL18338636	208.214	BOMWNCJWQMDQRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007966
O=C1c2n(nc(c2CCCC1)C(=O)O)C	SCHEMBL12498411,PC-id_68294870	208.214	JYPXCNJPIJLLFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007967
O=C1CCCCc2[nH]nc(c12)C(=O)OC	PC-id_83883653	208.214	XYAAHCJKFCTNNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007968
O=C1C(CCCn2c1cnc2)C(=O)OC	PC-id_46835272	208.214	AJIFRQNEBFZQON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007969
O=C1Nc2c([nH]c(c2C)C(=O)O)CCC1	PC-id_82395442	208.214	PNGMWYRHYHFMMZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007970
O=C1Nc2c([nH]c(c2)CC(=O)O)CCC1	PC-id_82611484	208.214	PLMBSYQOBUMIJD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007971
OC(=O)Cn1ncc2c1CCCCC2=O	PC-id_107384243,EMOLS-id_107770937	208.214	CPEUZHJMBCZVQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007972
c12C(=O)N(C)CCCn1nc(C(=O)N)c2	ZINC22_211384160,EMOLS-id_331282554,MCULE-3837554999,PC-id_83290604	208.217	WMYCDVHYQCJAIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007973
c12ncn(C)c1C(=O)N(CC(=O)N2C)C	BindingDB_PC-id_610377,ZINC22_517207,PC-id_610377,STOCK1N-00340,MCULE-5959551069,EMOLS-id_4781864,CHEMBL94681,CNP0360285	208.217	JBCCCARXTWCXQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007974
CCCN1C(=O)CNC(=O)c2[nH]cnc12	BindingDB_PC-id_363269,CoCoCo_5686169,CHEMBL94771,PC-id_363269,CoCoCo_5686170,NSC628051	208.217	DJDLYCZLNSHLER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007975
CCn1nc(C)c2c1C(=O)NCC(=O)N2	PC-id_377439,ZINC22_1636791,CoCoCo_5723659,NSC658892	208.217	LHAKBWLTJSZAGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007976
CN1CC(=O)N(c2c(C1=O)cnn2C)C	PC-id_101623996	208.217	BANDIJZUQJRCTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007977
O=C1N(c2n(cnc2C(=O)N(C1)C)C)C	PC-id_610339	208.217	QMOLPNVHUORRQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007978
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OCCCn1c2c(nc1)NC=NCC2=O	PC-id_10560288	208.217	CAXCOTUMZMCGKB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007980
OCCCn1c2NC=NCC(=O)c2nc1	PC-id_10846030	208.217	ILSPERZIVBGKFX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007981
CCC1=C(O)Nc2nnc(N)n2N=C1C	ZINC22_105823113	208.22	UGOXFMBFGXCQBX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007982
C1=CC(c2c(C=C1)c(cs2)C(=O)O)O	PC-id_91350613	208.234	WXPHOLRIRCDZHV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-007983
CS(=O)c1c(=O)oc2-c1ccccc2	PC-id_102393735	208.234	IKSHNFJMOULVDS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007984
O=c1oc2-c(c1)c(cccc2)S(=O)C	PC-id_101475883	208.234	AGQJCWPEQHHFGV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007985
OS(=O)(=O)c1ccc2-c1ccccc2	SCHEMBL140117,PC-id_9834293	208.234	KKEMWYNNTBRYMR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007986
O=S(=O)Oc1ccc2-c1ccccc2	SCHEMBL21177745	208.234	SWMCZYAPVZPCAD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007987
S(=O)(Oc1c2-c(cc1)ccccc2)O	PC-id_57166522	208.234	MUHPFGJDRPKVGU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007988
S(=O)(=O)(O)c1cc2-c(c1)ccccc2	PC-id_10285933	208.234	QASXHIYQHKPGHX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007989
Cc1c2C=C(C=CCc2ns1)[N+](=O)[O-]	PC-id_134270738,SCHEMBL19884340	208.237	YZGCXFBGDHMMAU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007990
COC#Cc1cc2c(s1)NOCC=N2	PC-id_143525461	208.237	YUQVAWCAJDTVCD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-007991
N#CSn1nc2c(c1)C(=O)CCCN2	PC-id_140232398	208.24	PTOBNACBDQJYTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007992
o1c2c(CCCCC2)c(c1C)CC(=O)O	PC-id_82395380	208.254	ZLEYSNGTNCKQEY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007993
o1c2C(CCCCc2cc1)C(=O)OCC	PC-id_11206572	208.254	PUGAZRKTSZXDSY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007994
OC(=O)CCc1cc2c(o1)CCCCC2	PC-id_121003683	208.254	ZRKINKLEPQWRGF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-007995
O=CC=CC=Cc1c2-c(cc1)ccccc2	PC-id_54059798	208.255	LYWBAVXCODULAP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007996
O=C/C=C/C=C/c1c2-c(cc1)ccccc2	SCHEMBL9246500,PC-id_12033011	208.255	LYWBAVXCODULAP-JHMJBTLWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-007997
c12CC(CCCc1cnn2CC)C(=O)O	MCULE-3858753360,EMOLS-id_75547730	208.257	BBILPYJDUZDRAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007998
c12CC(CCCc1cnn2C)C(=O)OC	EMOLS-id_75547636,MCULE-7867744878	208.257	SVXZPRPVHRJABF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-007999
c12C(=O)CCCOc1n(nc2C(C)C)C	MCULE-4410477614,EMOLS-id_320451090	208.257	AHMBGBVLDIPBBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008000
c12OCCCC(=O)c1c(nn2C(C)C)C	EMOLS-id_320449055,MCULE-7649211498	208.257	RYOUMKKYZRETHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008001
c1(C(=O)OCC)c2CCCCCc2n[nH]1	SCHEMBL1149314,EMOLS-id_27335842,EMOLS-id_49835642,CoCoCo_6858271,PC-id_20094653,CoCoCo_6858272,SCHEMBL9148813,ZINC22_34928963,MCULE-7386598645	208.257	JWDQKFKVGKGCCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008002
Cc1nn2CCCCCCc2c1C(=O)O	EMOLS-id_337769254	208.257	WNPVKTRCHIRYAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008003
C=CCCC1CCCCc2n1c(=O)on2	SCHEMBL6793359,PC-id_23500527	208.257	ODNMDLHRNTTYPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008004
CCC(=C)n1c(=O)[nH]c2c1COCCC2	SCHEMBL19117429	208.257	DLAPYTRIPYBESK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008005
CC(Cn1ncc2c1CCCCC2=O)O	EMOLS-id_304037259	208.257	XOXHPHTYADJTPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008006
CC(N1CCc2c(C(C1=O)C)cno2)C	PC-id_142177695	208.257	XQAHTENLBYZHGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008007
CCn1ncc2c1C[C@H](C(=O)O)CCC2	ZINC22_575422293	208.257	BBILPYJDUZDRAV-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008008
CCn1ncc2c1C[C@@H](C(=O)O)CCC2	ZINC22_575422294	208.257	BBILPYJDUZDRAV-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008009
CCOC1CCNC(=O)c2c1n(C)cc2	PC-id_142626507	208.257	XYVMFCLYAVWFPW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008010
CCOC(=O)c1cc2CCCCCn2n1	PC-id_22605345,EMOLS-id_324189754,SCHEMBL6379433	208.257	YHONYZHGXMXXKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008011
CCOC(=O)c1cc2CNCCCc2[nH]1	EMOLS-id_331210984	208.257	WKQGSDPAGHIUTQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008012
CCOC(=O)c1cc2CNCCCn2c1	ZINC22_95725628,MCULE-8176432443,PC-id_58465794,EMOLS-id_44390420,SCHEMBL12211189	208.257	LSFWTZYBADLVSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008013
Cn1nc2CCCCCc2c1CC(=O)O	PC-id_83862832,MCULE-9904294229,EMOLS-id_259658927	208.257	MVMWBBRFGSGOFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008014
CNC1C(=O)N(CC)CCc2c1occ2	SCHEMBL14171300,PC-id_23554895	208.257	ZWLFIIHGQCFCBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008015
CNC(=O)c1cn(c2c1CCCCC2)O	SCHEMBL20673851,PC-id_137437033	208.257	PWZIXODYRYZPAV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008016
CNC(=O)c1cn(c2c1CCOCC2)C	PC-id_137437366,SCHEMBL20674216	208.257	RWUCGDMNPQGSTE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008017
COCc1nc2c(n1C)CCCCC2=O	PC-id_121458194,SCHEMBL17896041	208.257	BTEZQEUKMOMOTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008018
COC(=O)C1CCc2ncc(C)n2CC1	PC-id_137703981,EMOLS-id_106531357,MCULE-2592029692	208.257	JZTMGPLPKXFVRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008019
COC(=O)c1nc2c([nH]1)CCCCCC2	PC-id_134570310,SCHEMBL20220794	208.257	MGNAIQRULGXXRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008020
COC(=O)[C@@H]1CCCc2cnn(C)c2C1	ZINC22_575425581	208.257	SVXZPRPVHRJABF-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008021
COC(=O)[C@H]1CCCc2cnn(C)c2C1	ZINC22_575425582	208.257	SVXZPRPVHRJABF-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008022
n1c2CCCCCc2n(CCC(=O)O)c1	PC-id_99988206,ZINC22_217695759,EMOLS-id_49837920,MCULE-7969065332	208.257	MVRDANQLRJMTDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008023
n1(C(C)C)c2CCOCCc2c(C=O)n1	MCULE-9146402535,PC-id_112711174	208.257	CIOGPCWXUFGCDH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008024
n1(CC(=O)O)cnc2CCCCCCc12	ZINC22_217717953,MCULE-5483045995,EMOLS-id_49866212,PC-id_99989058	208.257	WDGOHQXMRBNWBC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008025
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OCCn1cc2c(c1)CCCCC2NC	PC-id_83208554,EMOLS-id_313667272	208.3	DJPOCDONRYJKDK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008133
OC(Cn1cc2C(N)CCCCc2c1)C	PC-id_83208534	208.3	QMLSWQKAUXGZNZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008134
c12CCN(CCc1nn(C)c2CCN)C	MCULE-5648876144,PC-id_112711126	208.303	QLVRYRQBXVUANY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008135
c1(C(C(C)C)N)nnc2CCCCCn12	EMOLS-id_37528505,PC-id_43142834,MCULE-5582661571	208.303	RURJDLZFAVONEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008136
c1(CN(C)CC)nnc2CCCCCn12	ZINC22_1962685914,MCULE-7579885715,EMOLS-id_337665203	208.303	CBSCXVLNZORSCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008137
Cc1nn(c2c1NCCC(N2)C(C)C)C	EMOLS-id_313684380,PC-id_136316716	208.303	AWTPTLVDLUGFMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008138
Cc1nn(c2c1NCC(CN2)C(C)C)C	PC-id_136298102,EMOLS-id_313685772	208.303	XTVJBVVCAANVBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008139
Cc1nnc2n1CC(C)(CNC2)C(C)C	PC-id_144812747	208.303	VGCRRHAJGDUFLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008140
CCC1CCNc2c(N1)n(CC)nc2C	PC-id_136316698,EMOLS-id_313686420	208.303	RQABBAKXHMKHBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008141
CCC1CCNc2c(N1)n(C)nc2CC	PC-id_136316700,EMOLS-id_313559005	208.303	BVEYDRXTZRJDTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008142
CCC1(C)CNc2c(NC1)c(nn2C)C	EMOLS-id_313676188,PC-id_136322357	208.303	REORIXSKALAZRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008143
CCC1CNc2c(NC1)n(nc2CC)C	EMOLS-id_313538390,PC-id_136278914	208.303	JIRDTNFSBJTERX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008144
CCC1CNc2c(NC1)n(nc2C)CC	PC-id_136278993,EMOLS-id_313687307	208.303	AGPZOFTZENBBAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008145
CCc1nn(c2c1NCCC(N2)(C)C)C	PC-id_136278876,EMOLS-id_313576407	208.303	MWUBOJLBZBHPNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008146
CCc1nn(c2c1NCC(C(N2)C)C)C	PC-id_136829804	208.303	XCPBYYAJTSZTGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008147
CCc1nn(c2c1NCC(CN2)(C)C)C	PC-id_137012515,EMOLS-id_313560633	208.303	SNDATEBZUIAWCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008148
CCCC1CCNc2c(N1)n(C)nc2C	EMOLS-id_313549248,PC-id_136316688	208.303	QUKFAHAMWBCAIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008149
CCCC1CNc2c(NC1)c(nn2C)C	EMOLS-id_313684236,PC-id_136298115	208.303	DHRZJQNKCIOLFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008150
CCCc1nn(c2c1NCCCN2C)C	EMOLS-id_313565879,PC-id_80196621	208.303	WAIRBODXRTWNHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008151
CCCc1nn(c2c1NCCC(N2)C)C	EMOLS-id_313566141,PC-id_136278974	208.303	RZABGRRHQOCALS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008152
CCCc1nn(c2c1NCC(CN2)C)C	EMOLS-id_313685765,PC-id_136278998	208.303	LTMBEOZZYKUECE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008153
CCC(c1nnc2n1CCCCC2)CN	EMOLS-id_41101029,PC-id_65221283	208.303	CNJHBFIWXXSZCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008154
CC(C(c1nnc2n1CCCCC2)C)N	PC-id_104475653	208.303	SHGKBDRSZBWYPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008155
CCC(c1nnc2n1CCCCC2)NC	EMOLS-id_38599801,PC-id_61817117	208.303	HRHYHWKLLKTHLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008156
CCC(c1nnc2n1CCCCC2)(N)C	EMOLS-id_42525365,PC-id_79799307	208.303	RCURJAMXAMSCRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008157
CC(Cc1nnc2n1CCCCC2)(N)C	PC-id_64672613,EMOLS-id_40693004	208.303	XJNOLCDPBCPBCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008158
CCC(C)C1Cc2nc(nn2CCN1)C	PC-id_90873767	208.303	ZVSQFDCBQDCKQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008159
CCCC(c1nnc2n1CCCCC2)N	EMOLS-id_37761782,PC-id_43630111	208.303	CMHGLZAMEXXIMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008160
CC(CCc1nnc2n1CCCCC2)N	EMOLS-id_40253184,PC-id_64095294	208.303	MYMOWBLZYFDHNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008161
CCC(Cc1nnc2n1CCCCC2)N	PC-id_81970009,EMOLS-id_313569766	208.303	KXKCHWVOOVZZOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008162
CC(C)CCN1CCc2nncn2CC1	ZINC22_12040740,MCULE-2282456590,PC-id_42371733,CoCoCo_1266971,EMOLS-id_20497057,CoCoCo_1266970	208.303	HUBMSKXPIXIBMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008163
CC(C)CNc1cc2CNCCCn2n1	EMOLS-id_259828658,MCULE-6898604263	208.303	XMNORIJIMHODQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008164
CC(C)CNc1nnc2CCCCCn12	MCULE-4580588476,PC-id_7131155,EMOLS-id_300112503,ZINC22_4218592	208.303	WZPFBPNBGXDYEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008165
CC([C@@H](c1nnc2n1CCCCC2)N)C	PC-id_93257453	208.303	RURJDLZFAVONEE-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-008166
CCCNCc1nnc2n1CCCCC2	PC-id_61817116,EMOLS-id_38599799	208.303	WNJSJVAFRXIYIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008167
CCn1c2c(c(n1)C)NCCC(N2)(C)C	PC-id_136278967,EMOLS-id_313687046	208.303	JURSTJJCLWHPHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008168
CCn1c2c(c(n1)C)NCC(C(N2)C)C	PC-id_136829805	208.303	PDUAMMDYOYXWKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008169
CCn1c2c(c(n1)C)NCC(CN2)(C)C	PC-id_137012517,EMOLS-id_313664129	208.303	DRZRVODNNRBLPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008170
CCN1C(C)CCNc2c1n(C)nc2C	EMOLS-id_313583183,PC-id_80196076	208.303	OMTUJQLDXJJHDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008171
CCN1CC(C)CNc2c1n(C)nc2C	PC-id_80195736,EMOLS-id_313530995	208.303	WNWCAOJHCVSJFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008172
CCN1CCCNc2c1n(CC)nc2C	EMOLS-id_313684744,PC-id_80196959	208.303	VHTVDRZMSFEGLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008173
CCN1CCCNc2c1n(C)nc2CC	PC-id_80195724,EMOLS-id_313683976	208.303	IRTFJNWNGQHOBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008174
CC(N1CCCNc2c1n(C)nc2C)C	PC-id_80197144,EMOLS-id_313687044	208.303	HPDVXLDXSGVBDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008175
CC(NCc1nnc2n1CCCCC2)C	EMOLS-id_37316101,MCULE-1568487317,PC-id_60695479	208.303	HZMKYDCIVFRNTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008176
CCNC(c1nnc2n1CCCCC2)C	PC-id_43426006,EMOLS-id_37389873	208.303	XDOVWDYILDTKFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008177
CCNCCc1nnc2n1CCCCC2	PC-id_60730441,EMOLS-id_37389863	208.303	BMUXQHBOVKOKGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008178
c12-c(c(CC)ccc(C(C)C)c1)ccc2C	PC-id_85977554	212.33	GDSYXYWBPGHRSU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009012
CNCc1n(C)nc2c1CCN(CC2)C	PC-id_112711131	208.303	DFQSBAKLXPNEAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008179
CNC(c1nnc2n1CCCCC2)(C)C	PC-id_62818859,EMOLS-id_39400235	208.303	VSJACRHZHPUWLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008180
CNCCc1nn2c(c1)N(C)CCCC2	PC-id_96863849	208.303	ULJXBHMZRNKJQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008181
CNCCCc1nnc2n1CCCCC2	EMOLS-id_37535259,PC-id_43152026	208.303	FFGCCAJZDWXTCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008182
n12CCCCCc1nnc2CCCCN	EMOLS-id_40214669,PC-id_64060601	208.303	AQECVWRGWNNMKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008183
n12CCCCCc1nnc2C(CCN)C	PC-id_80539939,EMOLS-id_313565365	208.303	PHFJBZHTPMUQSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008184
n12CCCCCc1nnc2CC(CN)C	PC-id_81073410,EMOLS-id_313537733	208.303	XHBQDVKMGREIJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008185
n12nnnc1CCC(C(CC)(C)C)CC2	PC-id_24846475	208.303	LBGIONJIWFWRKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008186
N1(CCc2c(nn(c2N)C)CC1)C(C)C	PC-id_83916664	208.303	PBELZNFBTSRZHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008187
N1(CCc2c(nn(c2N)C)CC1)CCC	PC-id_83916665	208.303	GBMZWSGTVPCUNE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008188
N1(CCc2c(nn(c2N)C(C)C)CC1)C	PC-id_83862792	208.303	WCPWGHVLDJTTPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008189
N1(CCc2n(nc(N)c2CC1)C)C(C)C	PC-id_83916662	208.303	LAWYRHOCZIXTEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008190
N1(CCc2n(nc(N)c2CC1)C)CCC	PC-id_83916663	208.303	RXCVMKPENHCYDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008191
n1(C(C)C)c(CN)c2c(CCNCC2)n1	MCULE-3220279482,PC-id_112711124	208.303	FYMNFKTXIQDTCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008192
n1(nc2c(CCNCC2)c1NC)C(C)C	PC-id_83862791	208.303	WDGDUSNYPXDTNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008193
N(c1n[nH]c2c1CCNCC2)(CC)CC	PC-id_83863202	208.303	RIZNYWOAPJQOHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008194
NCC(c1nnc2n1CCCCC2)(C)C	PC-id_115428040,EMOLS-id_313659790	208.303	YSUIHUQQGCACOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008195
NCCCc1nn2c(c1)N(C)CCCC2	PC-id_96863851	208.303	SQSGEXJRCLBGSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008196
NCCNCc1n[nH]c2c1CCCCC2	EMOLS-id_313690598,PC-id_104375126	208.303	HGPRTCLPOIURQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008197
C=CC(c1cc2c(s1)CCCCC2)O	PC-id_115814806,EMOLS-id_266320987	208.32	NECMLIZKIUOKOD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008198
CC(=C)CC1CCc2c(OC1)csc2	PC-id_143481581	208.32	CDSQROOOPLXWOT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008199
CCC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_107250405,PC-id_114962129	208.32	QGPTVACEWGKLEF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008200
O=C1CCCCc2c1sc(c2)C(C)C	SCHEMBL13351653,PC-id_70885106	208.32	RHNVZPTUPACUCX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008201
s1c2CCCCCCc2c(c1)C(=O)C	PC-id_71670769	208.32	FOVNLQONDWDUKY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008202
s1c2CCCCCCc2cc1C(=O)C	PC-id_71670770	208.32	GVEMFGYJKNEWTL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008203
C1CCc2c(CC1)nc(s2)NC1CC1	EMOLS-id_37412643,PC-id_60734455	208.323	CPQOPCKCFUDURN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-008204
C=CCC1CCc2c(CC1)nc(s2)N	PC-id_58879824,SCHEMBL14507252	208.323	VVONYRKMIOATPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008205
CCCC1CCc2c(C(=N1)N)ccs2	SCHEMBL8195082,PC-id_54427700	208.323	WFHCISFKRJJCBO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008206
C=CCN1CCc2c(CC1)cc(s2)N	PC-id_13072067,SCHEMBL11296333	208.323	LGTUOEGWVOVKGQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008207
C=CCNc1nc2c(s1)CCCCC2	EMOLS-id_114685679	208.323	JOHAQTBIKDOSRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008208
C1CCCCc2ccc(CCCC1)s2	PC-id_102277171	208.363	NFSPKEKJADVZCK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008209
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Cc1cc2c(s1)CCCCCCCC2	SCHEMBL15426775,PC-id_89932141	208.363	LQNKNWJIELUZFX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008211
CC1CCCc2c(CC1)sc(c2C)C	PC-id_142101497	208.363	WFMXCEQABSGWCZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008212
CC(c1cc2c(s1)CCCCC2)(C)C	PC-id_57625086,SCHEMBL11987732	208.363	MZDQTPFYVUHVQR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008213
CC(c1sc2c(c1C)CCCCC2)C	SCHEMBL13360484,PC-id_70888590	208.363	OXITYBAABONUTP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008214
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ClC1=Cc2cc([nH]c2C=CC1)C(=O)N	PC-id_142213829	208.644	ZCOHFJRIYURORY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008216
ClC1=CCc2c(C=C1)[nH]c(c2)C(=O)N	PC-id_142197797	208.644	CEJRVOGMEFKZMJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008217
ClC1=CCC=c2c(=C1)cc([nH]2)C(=O)N	PC-id_144935858	208.644	NPMZAJVKRKTHKC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008218
NC(=O)C1=Cc2[nH]cc(c2C=CC1)Cl	PC-id_142943537	208.644	VBMTXFHUDDSWRS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008219
C1=COC=CC2=C1C=C(S2)C(=S)N	PC-id_153994461	208.997	ADAAUINXALYRLP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008220
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C1CC(C2=CSC=C2OC1)CN=[N+]=[N-]	PC-id_165145867	209.062	AESFUANRGAUFIR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008222
CC1C/C=C/C(=C(N=C1Cl)/C)/N=CN2	PC-id_155119801	209.072	VWBXWNLGUDFVQZ-DROOONPTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008223
C1CCN2C(=CC(=N2)NC(=O)O)C(=O)C1	PC-id_154461004	209.08	AOPLAEXPZOIHKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008224
CC1CCC(=O)NC2=C(C1=O)NC(=O)N2	PC-id_163718728	209.08	KPPSADYDZDYTES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008225
C1CCC2=C(CCCC(=O)C1)SC=N2	PC-id_147361330	209.087	DHIDQQSGSYOLAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008226
CC1(CC2=C(CCO1)C(=NN2)C(=O)[O-])C	PC-id_154505172	209.093	RVPVCZOLRVFKCR-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-008227
CC1(CC2=C(CCO1)NN=C2C(=O)[O-])C	PC-id_154505168	209.093	IJLGHFILADRFAP-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-008228
CC1(CCC2=C(CO1)NN=C2C(=O)[O-])C	PC-id_154505173	209.093	LFEYDOCQOJBWMP-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-008229
C1=CC=Cc2c(C=C1)nn[se]2	PC-id_134881417	209.107	PFDRNBUMXAWLPM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008230
CCC1CCCN2C(=CC(=N2)[N+](=O)[O-])C1	PC-id_154017568	209.116	RBWOAKDTZHBFKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008231
O=c1n([N+](=O)[O-])c2c([nH]nc2)c(=O)nc1	PC-id_57507074	209.119	UHDJWPSHDKRUFB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008232
CC1=CC2=C(S1)CCCCC2CNC	PC-id_149449315	209.124	YXHSGENPCMPDKT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008233
CCC1=CC2=C(S1)CCN(CC2)CC	PC-id_160606917	209.124	REZKGGJZCFQJIO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008234
CCC1=C(SC2=C1CNCCC2)CC	PC-id_154281215	209.124	VSFZEUJJNZQCNZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008235
FC1(F)CCc2n(C(C1)(F)F)cnn2	SCHEMBL18501346	209.144	UTALHMBTBKATSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008236
FC1(F)CCc2n(CC1(F)F)cnn2	SCHEMBL18501365	209.144	CSBNXDMNNFVTIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008237
FC1(F)CCc2n(CC1(F)F)ncn2	SCHEMBL16253546,PC-id_117709834	209.144	XOZMTIJXSOYPEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008238
FC1(F)CCc2n(C(C1)(F)F)ncn2	SCHEMBL16253557,PC-id_117709844	209.144	MFYOMTXPONXRJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008239
FC1(F)CCCc2n(C1(F)F)cnn2	SCHEMBL18501350	209.144	OUODAQCFVNMKJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008240
FC1(F)CCCc2n(C1(F)F)ncn2	PC-id_117709829,SCHEMBL16253541	209.144	DCPNRCKRZMKSHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008241
FC1(F)CCC(c2n(C1)ncn2)(F)F	PC-id_117709859,SCHEMBL16253572	209.144	MEIVFRQEFFZVCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008242
FC1(F)CCCC(c2n1cnn2)(F)F	PC-id_117709816,SCHEMBL16253528	209.144	JJZLSUFTLKDXPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008243
FC1(F)CCCC(c2n1ncn2)(F)F	SCHEMBL18501343	209.144	MABXUTRPXWOWJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008244
FC1(F)CCCn2c(C1(F)F)ncn2	SCHEMBL16253545,PC-id_117709833	209.144	JHULDTCDISEABX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008245
FC1(F)CCCn2c(C1(F)F)nnc2	SCHEMBL18501351	209.144	KXUZIIOCWJFWGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008246
FC1(F)CCC(n2c(C1)ncn2)(F)F	SCHEMBL16253549,PC-id_117709837	209.144	VMYGLKWVUCCIDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008247
FC1(F)CCC(n2c(C1)nnc2)(F)F	SCHEMBL18501339	209.144	AWRHNPHNSISPGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008248
FC1(F)CCn2c(CC1(F)F)ncn2	PC-id_117709846,SCHEMBL16253559	209.144	ISQOFPROWPGTSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008249
FC1(F)CCn2c(C(C1)(F)F)ncn2	PC-id_117709858,SCHEMBL16253571	209.144	VMXGQKLCFWPQDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008250
FC1(F)CCn2c(CC1(F)F)nnc2	SCHEMBL18501352	209.144	TUYHAOSOFYMXEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008251
FC1(F)Cn2cnnc2CC(C1)(F)F	SCHEMBL18501344	209.144	DLSPDLCPEMGDFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008252
FC1(F)Cn2ncnc2CC(C1)(F)F	SCHEMBL16253543,PC-id_117709831	209.144	AYAQXXOPIVUBSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008253
CCCCN1CCC2=C(CC1)OC(=N2)N	PC-id_161221296	209.153	VBFWBNIVZZSIDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008254
c1(C(=O)OC)coc2CCCC(=O)Nc12	SCHEMBL5234893,ZINC22_72319850,PC-id_19699091,MCULE-5405569874,EMOLS-id_43298790	209.199	MPVXNDOJMBNNMX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008255
c1(C(=O)OC)coc2CCCNC(=O)c12	EMOLS-id_70088020,MCULE-7261751955,PC-id_119087093,ZINC22_261494755	209.199	DCMZFEKXKWCMJK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008256
CN1c2c(CCCC1=O)occ2C(=O)O	ZINC22_1772716963,EMOLS-id_317516550,MCULE-7390823788	209.199	JJRZUOURHUWQKY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008257
COC(=O)c1coc2c1CC(=O)CCN2	PC-id_140129247	209.199	NAJAXMHNMUUIEQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008258
o1c2c(CCCNC2=O)c(c1C)C(=O)O	PC-id_12410020	209.199	HAXKYKAKTHWKGN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008259
o1c2C(CCC(=O)Nc2cc1)CC(=O)O	PC-id_82395202	209.199	MHEHFLUSABJLHQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008260
o1nc(c2c1CCCCC2=O)C(=O)OC	PC-id_82395196	209.199	HXUNJLCZMYCJQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008261
OC(=O)Cc1cc2c([nH]1)CCOCC2=O	PC-id_97707148	209.199	NVPUHSVDWPZIPH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008262
OC(=O)CC1CCC(=O)Nc2c1cco2	PC-id_112487383	209.199	WHZVTZHGMNJTTH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008263
c12C(=O)N(C)CCCn1nc(C(=O)O)c2	EMOLS-id_31512462,ZINC22_49454662,PC-id_53213598,MCULE-2229695312	209.202	OQSCVKMTZQQIKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008264
c12C(=O)NCCCn1nc(C(=O)OC)c2	EMOLS-id_36797032,SPECS-id_AT-687/PE33813,SCHEMBL3127245,SPECS-id_AT-687/NB06901,MCULE-5002806094,ZINC22_4050300,PC-id_2767855	209.202	VWXQPZYUOQXYLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008265
C1Cn2cc(nc2CNC1C(=O)O)C=O	PC-id_90855424	209.202	MTADEMTUHQSJJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008266
O1Cc2c(n(nc2C)C)C(=O)N(C1=O)C	PC-id_59908887	209.202	GJMFGWBSQLBRJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008267
O=C1NCCCc2c1[nH]c(c2N)C(=O)O	PC-id_83679430	209.202	NXWTZVNPBHJOCQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008268
O=C1NCCCc2n(nc(c12)C(=O)O)C	PC-id_83679460	209.202	GNHNYNGOPMTKRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008269
O=CN1CCCn2c(C1)cc(n2)C(=O)O	PC-id_144720911	209.202	ULDXQLCUIZBSGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008270
OC(=O)c1cc2C(=O)NCCCCn2n1	EMOLS-id_259671306,MCULE-7881293698	209.202	IJFCVUFPVJDUCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008271
OC(=O)c1cc2NC(=O)CCCCn2n1	MCULE-9781950792,EMOLS-id_259824839	209.202	QOFADNXHMMNUNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008272
OC(=O)C(=O)N1CCCc2c(C1)cn[nH]2	MCULE-2489549976	209.202	LEZNMASNOBHKNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008273
c12C(=O)NCCCn1nc(/C(=N/O)/N)c2	PC-id_136307798,EMOLS-id_331282810,ZINC22_227463594,MCULE-2144173158	209.205	RBSNURFCMORZKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008274
O=C1NNC(=O)c2c(N1)ncn2C(C)C	PC-id_59248137,SCHEMBL10101245	209.205	WDEMWSAVQXMVOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008275
OCCn1c2c(nc1)C(=O)NC(=NC2)N	PC-id_10727104	209.205	HYZQKYRVTPRTLZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008276
OC(=O)c1ccc2n1C=CC=CS2=O	PC-id_140390485	209.222	AHTULHGMTALMLU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008277
OC(=O)c1ccc2n1C(=O)C=CCS2	PC-id_142666778	209.222	WCCKWHGEDCVEHM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008278
OC(=O)Cc1csc2=CC=NOC=c12	PC-id_141051332	209.222	MSJMGKUIBDHHMV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008279
OC(=O)Oc1cc2c(s1)C=CNC=C2	SCHEMBL4441628,PC-id_69045946	209.222	FUIPURRYGLVGHP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008280
NC(=O)c1[pH]cc2c1CCCCCC2	SCHEMBL10456213	209.225	HRSHVPFTARVYHH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008281
CCOC(=O)c1c2c(CCCCC2)on1	CoCoCo_5465133,PC-id_281512,MCULE-1064012420,EMOLS-id_252309894,NSC134329,LI_142984	209.242	OFDPZVSYFCGQOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008282
CCOC(=O)c1cc2CNCCCc2o1	EMOLS-id_329988620	209.242	GQVGVIGHPBHSSZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008283
o1c2CCCCCc2nc1CCC(=O)O	PC-id_82395140	209.242	RYHMFHXHADNVPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008284
o1c2CCN(CCc2cc1CC(=O)O)C	PC-id_82612048	209.242	TZTCPSRLVNSJHE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008285
o1nc2c(CCCCC2)c1C(C)C(=O)O	PC-id_83884290	209.242	HICCBDZTYZOZBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008286
o1nc(OC(C)C)c2c1CCCCC2=O	PC-id_11095857	209.242	QBZDFHLHZUWULK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008287
o1nc(OC(C)C)c2CCCCC(=O)c12	PC-id_10932703	209.242	CVIDOWQIQZNJLI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008288
O=C(c1c2-c(c(c1C)C#N)ccccc2)C	PC-id_11333273	209.243	XDPDJDXFGAFMEV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008289
O=CCCc1c2-c(c(c1)C#N)ccccc2	PC-id_14545190	209.243	DXFYDSXGYXXTII-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008290
c12c(C)onc1NC(CC(=O)N2)C(C)C	MCULE-6115959309,PC-id_136926532	209.245	OKUDINLQBSCYBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008291
c12C(=O)NCC(C)(C)Cc1[nH]c(CO)n2	MCULE-4039562133,ZINC22_65408420,PC-id_50966191,EMOLS-id_46061367	209.245	NUMVJCCFIVDBTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008292
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CO	MCULE-5292733579,EMOLS-id_319888964	209.245	NHVCUOPGNAMYTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008293
Cc1nnc2n1CCC(CC2)C(=O)OC	MCULE-3253536738,PC-id_136557184,EMOLS-id_316956225	209.245	VOHWSVPKWJJWCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008294
CCC[C@H]1COc2c(N(C1=O)C)cn[nH]2	PC-id_145225506	209.245	VTMLBXQUAJYOFE-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008295
CCC[C@H]1COc2c(NC1=O)cnn2C	SCHEMBL19658574	209.245	XCIRUCNHTCEKDB-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008296
CC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_37476159,PC-id_60747080	209.245	KWFKFBRUEZFSDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008297
CCOC(=O)c1cc2CNCCCn2n1	ZINC22_95630210,EMOLS-id_300739436,SCHEMBL2519257,MCULE-7167788613,PC-id_58465821	209.245	RPKMBFPJNNQVRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008298
CCOC(=O)c1cc2n(n1)CCNCC2	SCHEMBL4751934,PC-id_69174499	209.245	HRKIYPULRBSEFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008299
CCOC(=O)C1Cn2c(ccn2)CNC1	EMOLS-id_50368698,MCULE-8939154851	209.245	DJAPDPRZECTJFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008300
CCOC(=O)c1cnc2CCNCCn12	ZINC22_238296436,EMOLS-id_50368684,MCULE-9964793098,PC-id_121229330	209.245	AGHJAIPFKLDWPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008301
CCOC(=O)C1CNCc2nccn2C1	EMOLS-id_329926633	209.245	BXDNUQDCGIMAKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008302
CCOC(=O)c1ncn2c1CNCCC2	PC-id_121229790,ZINC22_238284492,MCULE-9949132486	209.245	TYHDOXQTZXLAKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008303
CCOC(=O)c1nnc2CCCCCn12	PC-id_63355804,MCULE-3620453927,EMOLS-id_39770786	209.245	BVSOMTYDRTWJPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008304
CCOC(=O)[C@H]1CNCc2ccnn2C1	EMOLS-id_337374638,ZINC22_238275370	209.245	DJAPDPRZECTJFE-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008305
CCOC(=O)[C@@H]1CNCc2ccnn2C1	ZINC22_238796977	209.245	DJAPDPRZECTJFE-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008306
CN1CCc2c(CC1)[nH]nc2CC(=O)O	PC-id_112711140	209.245	HFOSNJFKIIDFHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008307
CN1COOCc2c1ncn2CC1CC1	PC-id_121279300,SCHEMBL17682176	209.245	CWKLIUGJEJNPEP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-008308
CNC1CCCCn2nc(cc12)C(=O)O	MCULE-3818286979,EMOLS-id_259824767	209.245	JOJJUPZTZZBOGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008309
CNC1C(=O)N(CC)CCc2c1ocn2	SCHEMBL14171187,PC-id_23554894	209.245	RQCDPYDJCGICDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008310
COC(=O)C1CCc2c(C)nnn2CC1	PC-id_137703985,MCULE-4091879980,EMOLS-id_106531369	209.245	GAOKDXOGVGZQJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008311
COC(=O)c1cn2c(n1)CNC(CC2)C	SCHEMBL3308269,PC-id_68590366	209.245	CDKRVWOYVHDHRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008312
COC(=O)C1CNCc2cc(C)nn2C1	MCULE-9074206884,EMOLS-id_317464596	209.245	JAUXDNPWPJAZBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008313
COC(=O)c1nnc2CCCCCCn12	EMOLS-id_337789353	209.245	DRRZIRXKOZSYSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008314
COC(=O)Cc1nnc2n1CCCCC2	EMOLS-id_42304799,PC-id_79471890	209.245	UKWFKLXLDIGSEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008315
COC(=O)[C@@H]1CCc2nnc(C)n2CC1	ZINC22_601045337	209.245	VOHWSVPKWJJWCJ-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008316
COC(=O)[C@H]1CCc2nnc(C)n2CC1	ZINC22_601045341	209.245	VOHWSVPKWJJWCJ-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008317
n12CCCCCc1nnc2CCC(=O)O	PC-id_62874676,ZINC22_61448272,MCULE-4743756143,EMOLS-id_39421454	209.245	UDDPHFARPBPQDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008318
Nc1nn2CCCCCCc2c1C(=O)O	EMOLS-id_337771045	209.245	PBTMRBCSYOYSNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008319
NC(=O)c1n[nH]c2c1CC(C)(C)OCC2	SCHEMBL19659030	209.245	FTGFCOCTJOVAPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008320
NC(=O)c1n[nH]c2c1CCC(OC2)(C)C	SCHEMBL19659446	209.245	QXBPFMFQRHNSSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008321
NC(=O)c1n[nH]c2c1CCOC(C2)(C)C	SCHEMBL19658768	209.245	GVIHXZOYPOXFAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008322
c1(c2-c(cc1)c(cc(cc2C)C)C)C(C)C	PC-id_23246673	212.33	LSAZPRHUPHYIEI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009013
o1nc2c(CCCCC2)c1C/C(=N/O)/N	PC-id_83884355	209.245	JFVODKIAVYNLPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008323
O=C1CCOc2c(N1C)cnn2C(C)C	SCHEMBL19659156	209.245	RZTDBSCGVACREF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008324
O=c1n2CCCCCc2nn1CCC=O	PC-id_63039833,EMOLS-id_39552994	209.245	HPMVYKDYBQEFLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008325
OCCc1nn2c(c1)N(C)C(=O)CCC2	SCHEMBL19658914	209.245	YORHRTJMZGPJHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008326
OC(=O)c1n(nc2c1CCN(CC2)C)C	PC-id_83862821	209.245	GCKRARPHZDWLOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008327
OC(=O)c1nn(c2CCN(CCc12)C)C	PC-id_83916708	209.245	UNBYPQVKUFMFJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008328
OC(=O)c1n[nH]c2CCN(CCc12)CC	PC-id_83916704	209.245	VFWPBZRYBAQKPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008329
OC(=O)Cc1n(C)nc2c1CCNCC2	PC-id_112711130	209.245	JSLXSRWISQPYHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008330
OC(=O)Cc1nn2CCCCN(c2c1)C	PC-id_82660072	209.245	RSURGZQNUJMBSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008331
OC(=O)CCc1nn2CCCCCc2n1	PC-id_82660107	209.245	BCOCRFBMOZCJLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008332
OC(=O)Cn1ncc2c1CCCCC2N	PC-id_107384497	209.245	KFRJBMHUVSSQAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008333
OC(=O)C(N)c1nc2n(CCCCC2)c1	PC-id_82660101	209.245	MWWOMZOWHXWTEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008334
OC(=O)C(N)c1nn2c(CCCCC2)c1	PC-id_82660102	209.245	VWKIOATXEDSTEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008335
N#CC(C1=CC=CCc2c1cc([nH]2)C)C#N	PC-id_142166599	209.247	RDJYFLLKSURISA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008336
CC(=O)NCc1nnc2CCNCCn12	ZINC22_67757803,MCULE-2145643353,EMOLS-id_36449697,PC-id_56714737	209.248	BITMAVDGIMDTFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008337
CC(=O)NCc1nnn2c1CNCCC2	ZINC22_306142049,EMOLS-id_50370859	209.248	WNVGIBWGLSUKNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008338
CN(C)C(=O)N1CCCn2nncc2C1	ZINC22_885554200,EMOLS-id_313179716,MCULE-7074215736	209.248	AMXYLOVVDAUOKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008339
CPc1nc2c(s1)C=CC(C=C2)C	PC-id_142544789	209.248	DBPUAONTCHOKRN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008340
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O=C(NC)c1nn2CCCN(Cc2n1)C	PC-id_58465598	209.248	LIUIHNMJPKPGMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008343
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PC1=CC(C)(C)C=Cc2c1snc2	PC-id_142420217	209.248	UGTGSEGJEUBWPE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008345
CN1C(N)N=C(c2c(C1N)n(C)cn2)N	PC-id_138631783,SCHEMBL20998660	209.252	LOYXEWVZMMULHF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008346
CC1C=Cc2c(C=C1)n(c(=O)s2=O)C	PC-id_142458895	209.265	QQRYKGWBOOTIDH-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-008347
CC1C(=O)c2c(CCN1C=O)scc2	PC-id_88975018,SCHEMBL12886560	209.265	FPWJQVRDKHDZGY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008348
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s1c2CCCC(=O)N(c2cc1)C(=O)C	PC-id_71398438	209.265	QKXBPUPENSSWEG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008351
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s1c2CCCNC(=O)c2cc1C(=O)C	PC-id_85717747	209.265	RWBYNLMBOOGSBE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008353
s1c2CN(CCC(=O)c2cc1)C(=O)C	PC-id_82395085	209.265	ZFCVPKIVQZYZOL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008354
s1c(c2c(CCCNC2=O)c1C=O)C	PC-id_82612141	209.265	HJKKDMSEKGVCHQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008355
CCCCn1cnc2c1NC=[NH+]C[C@H]2O	GD-id_ZINC13807432	209.268	LEIRTXFZIOCKDF-MRVPVSSYSA-O	00000000100000000111000000000010000000000000000000000000	31-01-008356
CCOCn1cc2c(c1)CCCCC2O	EMOLS-id_313663689,PC-id_83209081	209.285	HDUJPYHNTACXBC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008357
Cn1c(C)c2c(c1C)OCC(CO2)(C)C	SCHEMBL681365,PC-id_58511442	209.285	KYIJYNNKZNVQEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008358
COCCn1cc2c(c1)CCCCC2O	PC-id_83208162,EMOLS-id_260089402	209.285	TVBWJIRIOCUSCW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008359
o1nc(OC(C)C)c2CCCCC(c12)C	PC-id_44222314	209.285	MNZWBQQYMNDGQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008360
OC1c2c(CCCC1)cn(c2)CCCO	PC-id_83208231,EMOLS-id_313666504	209.285	CZBKOXXXNKYACO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008361
OC1c2c(CCCC1)cn(c2)CC(O)C	PC-id_83208344	209.285	NJFDTVJAQXKMGS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008362
s1c2CCCCCc2cc1CC(=O)[O-]	PC-id_7197296	209.285	RNQWKOBGLXVDNI-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-008363
s1c2CCCCCCc2cc1C(=O)[O-]	PC-id_7063407	209.285	XKWUEZYMRWQSOI-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-008364
N#CCc1c2-c(c(cc(cc2C)C)C)cc1	PC-id_606706,TIMTEC40151	209.286	QGQKCBSGQCYJAM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008365
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c12C(CCCOc1n(nc2C(C)C)C)N	EMOLS-id_320451858,MCULE-8219943253	209.288	RHCTXOLKJSSGQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008368
c12OCCCC(N)c1c(nn2C(C)C)C	EMOLS-id_320449823,MCULE-4742687592	209.288	LECVHQMKGLODSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008369
CC1CCc2c(N(C1O)C(C)C)cn[nH]2	PC-id_142177641	209.288	KVZNDPPNVADLKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008370
CC1CN(C[C@@H](O)C)Cc2c(C1)[nH]nc2	EMOLS-id_319588819	209.288	DQUBXQNCGWPUMD-GKAPJAKFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008371
Cc1nn(c2c1CN(CCC2)C(C)O)C	SCHEMBL20343856,PC-id_135191332	209.288	GMIMYPZUBIBAPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008372
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CCOCc1nnc2n1CCCCCC2	EMOLS-id_324052851,PC-id_146108394,ZINC22_630950276,MCULE-4400741349	209.288	AKIIBLSKTJZAIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008375
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CNc1c2CCOCCc2nn1C(C)C	PC-id_112711120	209.288	HWPABXPMPRBJOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008377
COC1CCCc2c(CC1)n(CC)nn2	SCHEMBL12284135,PC-id_68230647	209.288	YGQPMIIVFPWAML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008378
COc1n(C)nc2c1CNCCCCC2	EMOLS-id_323879672,PC-id_138391935	209.288	UTOZMMKAZHKHCT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008379
COCCc1nc2c([nH]1)CCN(CC2)C	PC-id_59613177,SCHEMBL12989408	209.288	IJSVKMJFMFDDNB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008380
COCCC1NCCCn2cc(C)nc12	MCULE-2407709109,EMOLS-id_208139496	209.288	ZEBVXQIQBCJEAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008381
COCCN1CCCc2c(C1)c(C)[nH]n2	PC-id_118491654,SCHEMBL17232671	209.288	IZFKUVGUCQVDOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008382
COCCNc1[nH]nc2c1CCCCC2	EMOLS-id_39560658,PC-id_63048845	209.288	DFVWSGFXOQBXKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008383
COCN1CCCc2c(C1)c(CC)n[nH]2	PC-id_144718796	209.288	VIDXFAMAAFCKLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008384
Nc1n2CCCCOc2nc1C(C)(C)C	PC-id_96615092	209.288	AKHPJSGASMYPJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008385
NCc1c2CCOCCc2nn1C(C)C	PC-id_112711122	209.288	PHSCLXVNGWMTHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008386
NCCC1CCCc2c(CC1)nc(o2)N	PC-id_145589073	209.288	MQUKRAVBEJISIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008387
O=c1[nH]n(c2CCN(CCc12)C(C)C)C	PC-id_83848735	209.288	OWLRIMFYEPYZKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008388
OC(Cc1nn2CCCCN(c2c1)C)C	PC-id_83675657	209.288	LEEZSKODOAIJHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008389
OCCn1ncc2c1CCCCC2NC	PC-id_107384313	209.288	OFBWIOXMCDAPQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008390
OCCNCc1n[nH]c2c1CCCCC2	PC-id_104374957,EMOLS-id_313543255	209.288	GRZRMWUPUXLFCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008391
c1(C(C(C)C)N)nnc2CCNCCn12	EMOLS-id_44696971,MCULE-3045479307,PC-id_70747127	209.291	ZGAYXWYNWCZLND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008392
CC(C)[C@H](N)c1nnc2n1CCNCC2	ZINC22_91657013,PC-id_97132676	209.291	ZGAYXWYNWCZLND-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-008393
CC(C)[C@@H](N)c1nnc2n1CCNCC2	ZINC22_91657014,PC-id_97132677	209.291	ZGAYXWYNWCZLND-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008394
n12nc(nc1N(CCCC2)C)CCCN	PC-id_82660191	209.291	RMGIZHHXGJZZBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008395
n12nc(nc1N(CCCC2)C)CC(N)C	PC-id_82660189	209.291	ZOUIVNXWAZVTQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008396
n12nc(nc1N(CCCC2)C)CCNC	PC-id_82660190	209.291	UWEXPAVQXAGIKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008397
c12cc(sc1CCCCC(=O)N2)CC	GD-id_ZINC05719356,STOCK7S-75620,MCULE-9605243072,PC-id_4918549,ZINC22_5719356,EMOLS-id_33587893	209.308	DCNBRBDFZVGERF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008398
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Cc1cc2c(o1)CC(CNC2=S)(C)C	PC-id_10330719,CT-id_2001388	209.308	RPNITEYQJPDONW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008400
CCC(=O)N1CCCCc2sccc12	PC-id_100655259,MCULE-5294761698,EMOLS-id_53822310,ZINC22_225496092	209.308	WPQRGKBGECWIEQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008401
CC(=O)c1c(N)sc2c1CCCCC2	EMOLS-id_41195783,PC-id_65354630	209.308	AZXOTJCMXLRXQM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008402
CC(=O)c1sc2c(n1)CCCCCC2	EMOLS-id_39855218,PC-id_63524567	209.308	KSVZMFLPOLFRET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008403
CC(=O)NC1CCCCc2c1ccs2	SCHEMBL11535854,PC-id_3885859	209.308	NLRTWCGSPUFWMQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008404
CNC(=O)c1cc2c(s1)CCCCC2	MCULE-4518209401,PC-id_8180143,ASN-28260781,ZINC22_7038904,EMOLS-id_3632540	209.308	XDBLSYIGBZGLSA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008405
CNC(=O)c1csc2c1CCCCC2	MCULE-5628026979,EMOLS-id_44156690,PC-id_53015429	209.308	JPEBJHXJSFTUTB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008406
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NC(=O)c1c(C)sc2c1CCCCC2	PC-id_59672057,SCHEMBL12632686	209.308	FFMXZXVNLQJPQD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008408
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c1(c2-c(cc1)ccc(C(C)C)cc2)CCC	PC-id_13849049	212.33	UVQXQQBUTHUXHU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009014
CCC(c1cc2c(s1)CCCCC2)N	EMOLS-id_114694002,PC-id_114980073	209.351	WPFNQRGJWIQXBW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008444
CCCc1sc2c(n1)CCCCCC2	EMOLS-id_107498430	209.351	NIHYJWRCTOLOCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008445
CC(CN1CCc2c(CC1)ccs2)C	PC-id_59691611,SCHEMBL13683484	209.351	RDIJVWIZGQHJPO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008446
C[C@@H]([C@H]1CCCCCc2c1ccs2)N	SCHEMBL18723841	209.351	NBHWOHYGJBFPFM-VHSXEESVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008447
CC(N1CCc2c(CC1)ccs2)(C)C	SCHEMBL10204992,PC-id_57643277	209.351	ZDODBRCNICJXPJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008448
CC(N1CCCCc2c1ccs2)(C)C	SCHEMBL19754373	209.351	BVLZDLXYVFFCGM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008449
CC(N1CCCCc2c1scc2)(C)C	SCHEMBL19754378	209.351	ZAIDYVWJXFMLNO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008450
CCNCc1cc2c(s1)CCCCC2	EMOLS-id_37550046,PC-id_43163698	209.351	JYPZNBJILRXRMB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008451
CCNCC1CCCCc2c1scc2	SCHEMBL18723969	209.351	URCLIEWTKFDHTD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008452
CCNCc1csc2c1CCCCC2	PC-id_114748766,EMOLS-id_266339030	209.351	VRYMCGWITUKPMG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008453
CCNC[C@H]1CCCCc2c1scc2	SCHEMBL18723966	209.351	URCLIEWTKFDHTD-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008454
CNC(c1cc2c(s1)CCCCC2)C	EMOLS-id_114694039,PC-id_115781175	209.351	PHVUMFNMSGHRLF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008455
CN(CC1CCCCc2c1scc2)C	SCHEMBL18723718	209.351	QZQYTQSBXMRZID-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008456
CNCC1CCCCc2c1sc(c2)C	SCHEMBL18723816	209.351	XKJWZDCLEGCVQQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008457
CNCc1csc2c1CCCCCC2	PC-id_114748715,EMOLS-id_266338876	209.351	HUXHXDLSJCTDNV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008458
CNC[C@H]1CCCCc2c1scc2C	SCHEMBL18723941	209.351	GIRQZFOOFGTTTG-SNVBAGLBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008459
CNC[C@@H]1CCCCc2c1scc2C	SCHEMBL18723946	209.351	GIRQZFOOFGTTTG-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-008460
CNC[C@H]1CCCCCc2c1scc2	SCHEMBL18723645	209.351	HKVZARQSFXZYMO-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008461
CNC[C@@H]1CCCCCc2c1scc2	SCHEMBL18723880	209.351	HKVZARQSFXZYMO-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-008462
CN[C@H]([C@@H]1CCCCc2c1ccs2)C	SCHEMBL19674162	209.351	BSDLKCBIQSKFKV-UWVGGRQHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008463
CN[C@H]([C@@H]1CCCCc2c1scc2)C	SCHEMBL18723824	209.351	LXXGPTROTWQYNF-ONGXEEELSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008464
NCC1CCCCc2c1c(CC)cs2	SCHEMBL18723783	209.351	SYLJRKWEYDIJMM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008465
NC[C@@H]1CCCCc2c1c(CC)cs2	SCHEMBL18723757	209.351	SYLJRKWEYDIJMM-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-008466
NC[C@@H]1CCCCc2c1cc(s2)CC	SCHEMBL18723592	209.351	HKJNETXKKFHFQI-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-008467
NC[C@H]1CCCCc2c1cc(s2)CC	SCHEMBL18723911	209.351	HKJNETXKKFHFQI-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008468
s1c2c(CCCCC2)cc1CC(N)C	PC-id_71670831	209.351	QLDMFCCHAUABCY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008469
s1c2c(CCCCC2)c(CC(N)C)c1	PC-id_71670830	209.351	KTHHOKXLOUSZJR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008470
s1c2CCCCCCc2cc1CCN	PC-id_71670719	209.351	PVKRIJBDAFKWFH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008471
s1c2CCCCCCc2cc1CNC	PC-id_71670711	209.351	CTFDSZMUNLYYNK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008472
s1c2c(CCCCCC2)cc1C(N)C	PC-id_71670712	209.351	KEVVDMXXUVPZJJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008473
s1c2c(CCCCCC2)c(CCN)c1	PC-id_71670728	209.351	QBBRANJUSVUSBQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008474
s1c2C(C(C)C)CCNCc2cc1C	PC-id_83688546	209.351	NQGZDPCVBOCWPR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008475
s1c2c(C(NCCC2)C(C)C)cc1C	PC-id_83688547	209.351	VYWSPIXFWKMPDE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008476
s1c2c(C(NCCC2)CC(C)C)cc1	PC-id_83702737	209.351	LUORYYXTNSHURO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008477
s1c2c(C(NCCC2)C(C)(C)C)cc1	PC-id_83702738	209.351	MWBUZQPQKQLTJA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008478
ClC(=O)Cc1noc2=CC=CCC=c12	PC-id_142975007	209.629	FXZQCXVCHVNQOB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008479
[O-][NH+](O)c1cc(Cl)c2-c1ccccc2	CNP0474605	209.629	XOKQHRIIXBIGHH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008480
ClC1=Cc2nc([nH]c2CC=C1)C(=O)N	PC-id_142213666	209.632	CYBORFSPQGPGNE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008481
Clc1c(OC)cc2-c(nc(n2)N)cc1	PC-id_85993669	209.632	HGKOUJBUAXBWHF-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-008482
CC(C)C1=CCC(=Nc2ccnn12)Cl	PC-id_91171619	209.675	PBUCHYCYOIGILH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008483
Clc1n2CCCCCc2nc1CC#N	PC-id_84781054	209.675	OBQSMPKNKVCAED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008484
ClCc1nc2n(c1C)C=CC(=NC2)C	PC-id_59932304	209.675	SMNIWOTUMQLXHZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008485
CC1=C=C(Cl)c2c(N=C1)scc2C	PC-id_89332774,SCHEMBL14414246	209.695	OHGKHVHUHMIXBP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008486
C1=CC2=C(C=C[Se]2)C(=O)C=C1	PC-id_161218200	209.958	UXDRNCVZMRWDFT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008487
C=C1CCCOC2=C(SC=C12)C(=O)O	PC-id_165145509	210.035	WYNJEPPIVZZHON-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008488
CC1=NC2=CC=CC(N=C2S1)(C)P	PC-id_163574996	210.038	GCRVDGFTQGAREK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008489
BrC1=Cc2cc[nH]c2CC=C1	PC-id_144816074	210.071	RETNGGJVMPISJP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008490
BrC1=Cc2[nH]ccc2C=CC1	PC-id_143196070	210.071	YKTVMQQTSXWXIR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008491
BrC1=CCC=c2c(=C1)cc[nH]2	PC-id_144159317	210.071	RBZIRKMNPWGNPA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008492
BrC1=CCC=c2c(=C1)[nH]cc2	PC-id_144264083	210.071	ZTGLRYQINULKQG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008493
CC1(CC2=C(C(=NC1)[O-])SC(=N2)N)C	PC-id_154434576	210.071	KRPZAWRISMXVDQ-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-008494
C1CCC2=C(CC1)SC(=C2)NC(=O)N	PC-id_154325683	210.083	JIDMWGVOSVNMNN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008495
CC(=O)CC1=NC2=C(S1)CCNCC2	PC-id_148944702	210.083	PORYZZQWCYYIAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008496
N=C(N)Nc1nc2c(s1)CCCCC2	SCHEMBL13314773,PC-id_10420653,PD128540	210.09	UFTXCRWHCXBQKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008497
CCC1CC2=C(CCN1)C=C(S2)NC	PC-id_164027186	210.119	VEQKUSGMRJTCFV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008498
CC(C)(C)C1CCC2=C(CN1)SC=N2	PC-id_153056042	210.119	VINBYOJEORPSLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008499
C[Si](C)(C)C1=NNC2=C1CCOCC2	PC-id_153520896	210.119	UQZNXLGVTCRCSN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008500
C1CC(C(c2nnnn2C1)(F)F)(F)F	PC-id_89197479,SCHEMBL13895595	210.132	VRTQXSJNGRXXHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008501
C1CC(C(Cn2c1nnn2)(F)F)(F)F	PC-id_89197472,SCHEMBL13895588	210.132	MKTVNDFEEZUCPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008502
FC1(F)CCc2n(C(C1)(F)F)nnn2	SCHEMBL16255523,PC-id_117711212	210.132	OHVJYJWQUQVOLI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008503
FC1(F)CCCc2n(C1(F)F)nnn2	PC-id_117711206,SCHEMBL16255517	210.132	UMHDYSBXBVCQQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008504
FC1(F)CCC(c2n(C1)nnn2)(F)F	PC-id_117711191,SCHEMBL16255496	210.132	POGGKFWAXCLULR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008505
FC1(F)CCCC(c2n1nnn2)(F)F	PC-id_71467861,SCHEMBL16255485	210.132	ADEZLLQSXQNBMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008506
FC1(F)CCC(n2c(C1)nnn2)(F)F	PC-id_117711187,SCHEMBL16255492	210.132	UICZKAVKWSTMRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008507
FC1(F)CC(F)(F)Cc2n(nnn2)C1	SCHEMBL13895601,PC-id_71023109	210.132	JJMJYXLYQKPJFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008508
FC1(F)CCn2c(C(C1)(F)F)nnn2	PC-id_117711190,SCHEMBL16255495	210.132	HJKDWEUBKTWMJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008509
FC1(F)CCn2c(CC1(F)F)nnn2	SCHEMBL16255522,PC-id_117711211	210.132	FRDSIVBGXDJUCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008510
CC(C)c1c2n(CCC(CO2)OC)nc1	PC-id_164172007	210.137	ZWENDELNCFILGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008511
CC1COC(=O)c2ccc(C(=O)OC1)o2	PC-id_141735156	210.183	BENUUJHHZVNNMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008512
CC1OC(=O)c2ccc(C(=O)OC1C)o2	PC-id_141430482	210.183	NDXVQKGMZZSFCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008513
CC1OC(=O)c2occc2C(=O)OC1C	PC-id_141430481	210.183	DCDUUUJNVHRDJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008514
o1c2CCCCC(=O)c2c(OC(=O)O)c1	PC-id_69944739,SCHEMBL6948730	210.183	PIDMZOKHSWXNHS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008515
O1CCCCOC(=O)c2oc(C1=O)cc2	PC-id_68299391,SCHEMBL12506162	210.183	UHVMKWLQGQBLFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008516
Cc1c([N+](=O)[O-])oc2c1C(=O)NCCC2	CoCoCo_5578879,NSC290307,ZINC22_1565460,PC-id_324513	210.187	WDKROQKNZOYXFR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008517
COC(=O)c1nn2c(c1)C(=O)OCCC2	PC-id_101253190	210.187	PCKAEQHPBOFIIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008518
O=C1CC[C@@H](N)C(=O)On2c(O1)ccc2	PC-id_141098872	210.187	CWXRBQYSOAWPLL-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008519
COC(=O)c1c2NC(=O)CCCn2nn1	PC-id_136866614	210.19	SLCHYPHTESGENZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008520
COC(=O)c1nnn2c1C(=O)NCCC2	EMOLS-id_331109702,ZINC22_308782263	210.19	YDVJMSVHESRCQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008521
O=C1Nc2n(CCC1)c(nc2[N+](=O)[O-])C	PC-id_21819664	210.19	DIUIRQLZGPROEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008522
OC(=O)c1cc2CN(CCCn2n1)N=O	EMOLS-id_330765075	210.19	RURXQLJUXOLIIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008523
OC(=O)C1CN(Cc2ccnn2C1)N=O	EMOLS-id_330764570	210.19	NCSHQMGYGYJGCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008524
OC(=O)C1CN(Cc2nccn2C1)N=O	EMOLS-id_330766873	210.19	LFRVQHRRRZUDLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008525
ONC(=O)c1nn2c(c1)C(=O)NCCC2	PC-id_144264885	210.19	PDOSXYICPHVVDH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008526
c1(N(=O)=O)nn2c(N(C)N=C(C)CC2)n1	MCULE-3337271466,PC-id_12809601,EMOLS-id_233010312,ZINC22_16513256,CoCoCo_631520	210.193	YRDDYDAEEANXJF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008527
O=c1n2CCCCCc2nn1CC(=O)[O-]	PC-id_25490767	210.21	MJUSVNLNPPZGSP-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-008528
OC(=O)Oc1nc2c(s1)C=CNC=C2	SCHEMBL4441604,PC-id_69045935	210.21	HJNGUVUDQPGFFO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008529
O=Cc1c2-c(cc1/C=C/C=O)ccccc2	PC-id_10398192	210.228	BWPIQDYBZBRCMA-GQCTYLIASA-N	00000010100000000110000000000010000000000000000000000000	31-01-008530
O=Cc1c2-c(cc1C=CC=O)ccccc2	PC-id_85132331	210.228	BWPIQDYBZBRCMA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008531
O(C(=O)c1c2-c(cc1C#C)ccccc2)C	PC-id_10899869	210.228	IMVVPONSZAFSTM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008532
O(C(=O)c1c2-c(c(c1)C#C)ccccc2)C	PC-id_86041251	210.228	KTPDDIOFXQTPGT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008533
c1(C(=O)O)nn2c(OCCCC2)c1CC	ZINC22_218297219,EMOLS-id_50383204,MCULE-6440482697,PC-id_100010792	210.23	QCVUXVSAXCMARB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008534
C/C=C/CC1CCOCc2n1c(=O)on2	SCHEMBL6795967,PC-id_9837208	210.23	GJQBTESCWJFZDM-NSCUHMNNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008535
CC=CCC1CCOCc2n1c(=O)on2	SCHEMBL6795971,PC-id_69898113	210.23	GJQBTESCWJFZDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008536
CCOC(=O)c1cc2c([nH]1)COCCN2	EMOLS-id_313692515	210.23	GDWIDUGWSLBIFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008537
CCOC(=O)c1cc2OCCCCn2n1	EMOLS-id_324138032,PC-id_153545606,MCULE-5942204573	210.23	GZHZNWKSSHHHMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008538
CCOC(=O)c1n[nH]c2c1CCOCC2	PC-id_135362756,SCHEMBL20541441	210.23	AWVOFSRSUHGRGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008539
COC(C1CCCn2c(C1=O)ccn2)O	SCHEMBL19719174	210.23	LGJBGPDMCAZNPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008540
O1c2n(nc(c2)CCC(=O)O)CCCC1	PC-id_82660284	210.23	LOOQCHFIPVWWEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008541
o1nc2c(CCCCC2)c1C(N)C(=O)O	PC-id_83884885	210.23	WJZOJCDYEQXIJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008542
o1nc2c(CCN(CC2)C)c1CC(=O)O	PC-id_83862809	210.23	ZZEQTKPGFYQYSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008543
o1nc2n(C(CCCC2)CCC=O)c1=O	SCHEMBL6797403,PC-id_23500548	210.23	JUIQXDZBBLAAJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008544
o1nc(c2CCN(CCc12)CC)C(=O)O	PC-id_83916744	210.23	CEEGPUQADJUTBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008545
o1nc(c2C(N)CCCCc12)C(=O)OC	PC-id_82612387	210.23	VMZWTWOVRDJCCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008546
O=c1n([nH]c2c1CCCCC2)CC(=O)O	PC-id_66023180	210.23	UCCIAJHKIZVOFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008547
O=c1n([nH]c2C(CCCCc12)C(=O)O)C	PC-id_82612377	210.23	XQYILXXDXHLPMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008548
OC(=O)c1n[nH]c2c1CC(C)(C)OCC2	SCHEMBL18365778	210.23	IJLGHFILADRFAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008549
OC(=O)c1n[nH]c2c1CCC(OC2)(C)C	SCHEMBL18377638	210.23	LFEYDOCQOJBWMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008550
OC(=O)c1n[nH]c2c1CCOC(C2)(C)C	SCHEMBL18365756	210.23	RVPVCZOLRVFKCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008551
OC(=O)Cc1n(C)nc2c1CCOCC2	PC-id_112711129	210.23	UTJFFGRJJBZGHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008552
OC(=O)CCc1cn2c(n1)OCCCC2	PC-id_96865161	210.23	SZSARVDMTOJLPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008553
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O=C(Nc1ccc2-c(ccc2C#N)cc1)C	PC-id_10560383	210.231	FBIZIWMYXVRMAT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008555
c12c(OCC(N)C(=O)N1)cnn2C(C)C	MCULE-4437389065,EMOLS-id_320447773	210.233	PECKSTZZUPXLOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008556
c12NC(=O)C(COc1cn(C(C)C)n2)N	EMOLS-id_320448541,MCULE-5534367362,PC-id_162342549	210.233	VOYKAIUAWQWNIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008557
c12OCC(C(=O)Nc1cnn2C(C)C)N	MCULE-4336966659,EMOLS-id_320448542,SCHEMBL19658568	210.233	RUUZRNRITAEKSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008558
CC1(C)NCCCn2c(nnc12)C(=O)O	EMOLS-id_208139820,MCULE-1250175604	210.233	UIQNGYCYLQLZLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008559
Cc1nn(c2c1NC(=O)C(CN2)OC)C	PC-id_136704084	210.233	OWMCTLPGCJTTAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008560
Cc1noc2c1C(=O)N(NC(N2)(C)C)C	PC-id_135926439	210.233	VOYAYRHSEHSYRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008561
CCC1NCCCn2c1nnc2C(=O)O	EMOLS-id_208139811,MCULE-7343158162	210.233	RWNXDZIRMPJBHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008562
CC[C@@H]1NCCCn2c1nnc2C(=O)O	MCULE-5844884849,EMOLS-id_208139835	210.233	RWNXDZIRMPJBHK-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-008563
CC[C@H]1NCCCn2c1nnc2C(=O)O	MCULE-9543415593,EMOLS-id_208139841	210.233	RWNXDZIRMPJBHK-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008564
CCOC(=O)c1c2NCCCCn2nn1	PC-id_137218359	210.233	YGEZJLLMFYSGIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008565
CCOC(=O)c1nc2n(n1)CCNCC2	PC-id_118394560,SCHEMBL17112999	210.233	OJKBEUCZNTXIRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008566
CCOC(=O)c1nnc2n1CCNCC2	SCHEMBL15240404,PC-id_89791002	210.233	VZLCMPGDOMYGFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008567
CC(=O)N1CCc2nn(C)c(=O)n2CC1	PC-id_110197880,MCULE-8228949066,EMOLS-id_96925671,CHEMBL4513245	210.233	NDLGRDVAZOSBPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008568
CNC1COc2c(N(C1=O)C)cnn2C	SCHEMBL19659139	210.233	ZAASDNGFVSGXIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008569
NC(=O)O[C@H]1CCCCCc2c1n[nH]n2	PC-id_139592446	210.233	OLDRDADIZCGEMW-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008570
O1CCNC(=O)CCCn2nnc(c2)C1	PC-id_71760431	210.233	PTVBJQGJMXWPFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008571
O1Cn2nncc2CCCC(=O)NCC1	PC-id_71760885	210.233	DUIBQBMMTDQICP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008572
OC1c2n(CCCO)cnc2NC=NC1	PC-id_10846120	210.233	FFHVBXJBXMUAHX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008573
O=C1Nc2cnn(c2OC[C@@H]1N)C(C)C	SCHEMBL18365868	210.233	RUUZRNRITAEKSV-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-008574
O=C1Nc2cn(nc2OC[C@@H]1N)C(C)C	SCHEMBL18365869	210.233	YRGGLMVFCYLUFE-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-008575
OCCCn1cnc2c1NC=NCC2O	CHEMBL288438,PC-id_10608513,BindingDB_PC-id_10608513	210.233	IXBBWYNDLMSGON-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008576
OC(=O)Cc1nn2CCCCN(c2n1)C	PC-id_82660304	210.233	WKDKZUMVPHZKLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008577
O=C(OCC)c1nnn2CCCNCc12	MCULE-6053983281,PC-id_121229798	210.233	VIUPDKKZODEAKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008578
OC(=O)C(N)c1nn2CCCCCc2n1	PC-id_82660299	210.233	OQXIXOXUZBCSHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008579
O(C(=O)N1CCc2c([nH]nc2N)CC1)C	PC-id_83916759	210.233	NSDWCBOOIPXKAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008580
OC(=O)c1scc2OCCCC(=C)c12	EMOLS-id_337719451	210.25	OPDCNRVVBXOWNF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008581
C[C@H]1C(=O)Nc2c(C(=O)N1C)ccs2	PC-id_102035522	210.253	ACLVHQFIFQMGGA-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008582
C[C@H]1C(=O)Nc2c(C(=O)N1C)scc2	PC-id_135038855	210.253	SEPCHUXOTCWUJA-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008583
CCN1C(=O)c2ccsc2CNC1=O	PC-id_102501638	210.253	DSNGUBXHQZFZND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008584
CS(=O)(=O)C1=Cn2ccnc2CC=C1	SCHEMBL12595886,PC-id_68322781	210.253	AQCRODQNIVVEEJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008585
S=C1NCCCc2[nH]cc(c12)C(=O)O	PC-id_22318834	210.253	HPAOGSYHTVOJFW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008586
N#Cc1c2-c(c(c1S)C#N)ccccc2	PC-id_101534643	210.254	VACPQVPUCPNCFX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008587
S=C1N(c2nc[nH]c2C(=O)N(C1)C)C	PC-id_610927	210.256	CXOUZRFTQJSKBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008588
S=C1NCC(=O)N(c2ncn(c12)C)C	PC-id_5375965	210.256	LHXDBTKZYPQMOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008589
o1c2C(CCCCc2cc1)C(OC)OC	PC-id_10488655	210.27	YMMHRXRIJCHTDK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008590
C=C(C)c1ccc(C)c2-c(c1)c(cc2)C=O	UNPD181011,SCHEMBL2546632,CHEBI:6350,CNP0162574,HMDB0035896,LI_14274,PC-id_123595	210.271	PUEUPUYRYIOTKZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008591
C/C=C(c1oc2=CC=CC=C=c2c1C=C)/C	PC-id_143232256	210.271	PWOWLAQCWFESKI-WCIBSUBMSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008592
c12C(CCCOc1n(nc2C(C)C)C)O	MCULE-5233691178,EMOLS-id_320451346	210.273	ODAPWUBJYMXJBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008593
c12OCCCC(O)c1c(nn2C(C)C)C	MCULE-2114373366,EMOLS-id_320449311	210.273	PJBKNOXYXLTALM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008594
CCCCOc1noc2c1CNCCC2	PC-id_22163553,SCHEMBL10460548	210.273	WWBXTELEWWVSJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008595
CN1CCC(c2c(C1O)c(C)cn2C)O	PC-id_141868672	210.273	FEPAPGOKSFTGGK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008596
C=[O+]C(=O)c1cc2c(s1)CNCCC2	PC-id_90784336	210.273	MKWDLLIYCIQFKG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008597
o1n(c(=O)c2CCN(CCc12)C)CCC	PC-id_14515729	210.273	DSRMSJANZUKBKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008598
CC1C(C(Cn2c(c(cn2)N)N1)(C)C)O	PC-id_136613875,SCHEMBL14388366	210.276	GOUVYCLNNKUPOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008599
CCc1nn(c2c1NCC(CN2)OC)C	PC-id_136704086	210.276	UKUUTHMMVOZKGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008600
CC(C)Cn1nc2CCNCCn2c1=O	EMOLS-id_97031739,MCULE-7097738119	210.276	CLANKANNCSQEIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008601
CCCCOC1CCn2c(CC1)nnn2	SCHEMBL13895558,PC-id_71023093	210.276	GQDBFJRUOSGIMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008602
CCn1c2c(c(n1)C)NCC(CN2)OC	PC-id_136704085	210.276	XWTKHBXYYMGMQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008603
COCc1nnc2CC(C)N(C)CCn12	EMOLS-id_313742523	210.276	UJQIIRQLNMVECJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008604
COCc1nnc2n1CCN(C)[C@H](C)C2	ZINC22_585098504	210.276	UJQIIRQLNMVECJ-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008605
COCc1nnc2n1CCN(C)[C@@H](C)C2	ZINC22_585098506	210.276	UJQIIRQLNMVECJ-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008606
COCC(c1nnc2n1CCCCC2)N	PC-id_81078919,EMOLS-id_313707320	210.276	WLEGNAHZFIPTLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008607
NCC(c1nnc2n1CCCCC2)OC	PC-id_106109118	210.276	ZABGVWSETQLIRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008608
NCCC(c1nnc2n1CCCCC2)O	PC-id_107836598	210.276	PJIYRFZMSVRWAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008609
NCCOCc1nnc2n1CCCCC2	EMOLS-id_42299967,PC-id_79456956	210.276	DJGTXKGXZHXJKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008610
O=c1n2CCCCCc2nn1CCCN	PC-id_82508125	210.276	WQXNEGQNJNRVSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008611
OC(Cc1nn2CCCCN(c2n1)C)C	PC-id_83675665	210.276	QJPUIARPMVFSKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008612
OCCC(c1nnc2n1CCCCC2)N	EMOLS-id_38146529,PC-id_61228738	210.276	UKWKQSOAMNJTEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008613
OCCN1CCc2c(nn(c2N)C)CC1	PC-id_83916772	210.276	PIIWZFMWMYHNPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008614
OCCN1CCc2n(nc(N)c2CC1)C	PC-id_83916771	210.276	BHRGDYXYPZUAID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008615
OC(C(N)c1n2CCCCCc2nn1)C	PC-id_43142836	210.276	VOGMIVHLSHZGPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008616
OCC(N)c1nn2CCCCN(c2c1)C	PC-id_82660316	210.276	XQQJAALRWHBUMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008617
CC(C)n1ncc2CCCC(CF)Cc12	MCULE-7300228601,EMOLS-id_170746017	210.291	JJJIRFXRMRHYLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008618
c1(C(=O)O)cc2c(CCCCCC2)s1	CoCoCo_3701545,ZINC22_3887524,EMOLS-id_859405,PC-id_5183659,TIMTEC549580,MCULE-6042385158	210.293	XKWUEZYMRWQSOI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008619
c1(C(=O)OC)cc2c(CCCCC2)s1	SCHEMBL12883525,ZINC22_4088376,CoCoCo_6798934,MCULE-7847256715,TIMTEC381828,SPECS-id_AI-942/13331551,PC-id_3506281,EMOLS-id_3963147	210.293	PLQMUBVWWLPTGG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008620
C[C@H]1CCCCc2c1sc(c2)C(=O)O	PC-id_143892426	210.293	ANDOWAYAYPHLRH-ZETCQYMHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008621
COC(=O)c1csc2c1CCCCC2	EMOLS-id_114700105,SCHEMBL18430419,PC-id_114748261	210.293	AWFMRPHFUYDFCF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008622
OC(=O)c1c2c(CCCCCC2)sc1	EMOLS-id_114700025,PC-id_71670767,MCULE-4275749149,ZINC22_111849183	210.293	QIGYQCPBQLYULG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008623
OC(=O)C1CCCCc2c1cc(s2)C	PC-id_140052660	210.293	FRUVPNOTFJFHHU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008624
s1c2c(cc1CC(=O)O)CCCCC2	CHEMBL1468410,PC-id_658125	210.293	RNQWKOBGLXVDNI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008625
c12ccsc1C(NC)CCC(=O)N2C	MCULE-4081099754,PC-id_121207181	210.296	DNKUFMWWOMEQKQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008626
c1(CC(=O)N)sc2c(CCCCC2)n1	MCULE-2234574703,EMOLS-id_44454154,PC-id_97035707,ZINC22_85397220	210.296	AZALLDLSEWONPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008627
c1(C(=O)N)c2CCCCCc2sc1N	CHEMBL1493884,ChEMBL-DNDi_CHEMBL1493884,PD040584,BindingDB_PC-id_2997881,CoCoCo_3780603,PC-id_2997881,TIMTEC296500,BindingDB-id_59068,STOCK2S-65088,SCHEMBL8290416,ZINC22_3684478,SPECS-id_AN-153/I125563,EMOLS-id_815651,NSC727447,SPECS-id_AG-690/10005008,MCULE-2267198370	210.296	LULYZYNTDPUEKK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008628
c1(C(=O)NN)cc2c(CCCCC2)s1	CoCoCo_3806938,PC-id_3470425,MCULE-5134585610,TIMTEC57452,EMOLS-id_2855119	210.296	APDQSPXWVVODJE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008629
CC1CCc2c(CC1)nc(s2)C(=O)N	PC-id_142198102	210.296	ZXXFMNXAMZNUPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008630
Cc1sc2c(n1)CC(CNC2=O)(C)C	PC-id_143952633	210.296	SGAKFVSDGGPIQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008631
CCCC1COc2c(C(=N1)N)scc2	PC-id_53956964,SCHEMBL8214849	210.296	JIIBOYBTIWHZFJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008632
CCC[C@@H]1COc2ccsc2C(=N1)N	BindingDB-id_64097,PC-id_24894154,CHEMBL1221703,BindingDB_PC-id_24894154	210.296	JIIBOYBTIWHZFJ-SSDOTTSWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008633
CCNc1nc2c(s1)C(=O)CCCC2	PC-id_91499739	210.296	YAONMIYJMBPRKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008634
CC(=O)c1n(C)nc2c1CCSCC2	PC-id_105464368	210.296	PYFHKBBSHCFQCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008635
CC(=O)c1nn(c2c1CCSCC2)C	PC-id_105464367	210.296	LRVBLPPYCCXMSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008636
CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319558853,PC-id_10262542	210.296	GCFVWRSWBSCGON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008637
CC(=O)Nc1nc2c(s1)CCCCC2	PC-id_29331669,ZINC22_21138218,MCULE-3904639772,CoCoCo_4546013,EMOLS-id_31870193	210.296	CLXJBPBHHVGPMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008638
CNC1C(=O)N(C)CCc2c1scc2	SCHEMBL14171023,PC-id_23554919	210.296	KWUAYWHMKCYPHI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008639
CNCc1sc2c(c1)C(=O)NCCC2	PC-id_139776022	210.296	VLQHKTXACDPRCC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008640
NC(=O)NC1CCCCc2c1ccs2	PC-id_21319843,SCHEMBL11533034	210.296	JKAVHVCEZAOPGC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008641
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s1c2c(C(N)CCN(C2)C(=O)C)cc1	PC-id_82612493	210.296	OWMFCTBFCKGQGC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008646
s1c2C(N(C)C)CCC(=O)Nc2cc1	PC-id_85714233	210.296	UNKNSSFHGASMRU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008647
s1c2C(N)CCC(=O)Nc2c(c1C)C	PC-id_82394823	210.296	BNUKSPJHBDLEFI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008648
s1c2C(N)CCC(=O)Nc2cc1CC	PC-id_82394824	210.296	CJUYCSQWVAZAES-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008649
s1c2c(OC[C@@H](N=C2N)CCC)cc1	PC-id_24941263,BindingDB_PC-id_24941263,DB07001,SCHEMBL21067490,PD005703,CHEMBL1230023	210.296	JIIBOYBTIWHZFJ-ZETCQYMHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008650
s1c2c(OC(C(N=C2N)CC)C)cc1	PC-id_71440204	210.296	ZLRUVIWRLAACGF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008651
s1c(c2c(CCCNC2=O)c1)CCN	PC-id_82612494	210.296	FWZVQPOUKXJLRN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008652
s1c(c2CCCNC(=O)c2c1)CCN	PC-id_82612495	210.296	UUBNOYORTDAPGG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008653
S1CCCCn2c1nc(c2)CC(=O)C	PC-id_82660330	210.296	FFOIJRGBFBZITA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008654
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C=CCN1Cc2sc(N)nc2CCN1	PC-id_29987192,MCULE-7962234433	210.299	KBPAMSXLJSCGFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008657
CNC(=S)N1CCCc2c(C1)c[nH]n2	MCULE-8047583823	210.299	MIODNZHGFOZBQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008658
NC(=S)c1c(N)nc2n1CCCCC2	PC-id_101924799	210.299	MFQUBNNOSHPFGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008659
NC(=S)Cc1n2c(CCCCC2)nn1	PC-id_5045487,ZINC22_4205923,MCULE-5377017757,CoCoCo_3733074,EMOLS-id_2866220	210.299	UMNVTKLSSGIMAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008660
S1c2n(nc(c2)CC(=N)N)CCCC1	PC-id_83676852	210.299	RDACWKLBHOXNMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008661
c1(c2-c(cc(C(C)C)ccc2)cc1)CCC	PC-id_10443177	212.33	PNQINAJJDMCAGM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009015
S1CCCCn2c1nc(c2)CC(=N)N	PC-id_83676856	210.299	QIQMLOXFVBHHEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008662
c1(c2-c(c(cc(c1)C)C)ccc2)CCC=C	PC-id_85652147	210.314	XAYQSBYXFOXFIS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008663
c1(CCCC=C)c2-c(c(c1)C)ccccc2	PC-id_85575583	210.314	ZUXOUZNDWYMSTB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008664
CCCCC(=C)c1ccc2-c1ccccc2	PC-id_142734113	210.314	BPROUZANORKCQY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008665
C=CC[N@@H+]1CCc2c(CC1)nc(s2)N	PC-id_25271910,GLL_PC-id_104870,GLL_PC-id_5374	210.319	DHSSDEDRBUKTQY-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-008666
SC1=C(N)C=c2c(=CC1)c(S)c[nH]2	PC-id_143161709	210.319	YHADQISPLUFLQB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008667
C1CCCCc2c(CCOC1)ccs2	SCHEMBL19674177	210.336	PQELILIXCBJKRM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008668
CCC(c1cc2c(s1)CCCCC2)O	PC-id_115787759,EMOLS-id_114702489	210.336	BOCAITXVWQIYLX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008669
OC1CCCCc2c1cc(s2)C(C)C	SCHEMBL13363416,PC-id_70889941	210.336	RTOAMSZZDCRYLH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008670
s1c2CCCCCCc2cc1CCO	PC-id_71670721	210.336	BJIXKULTAQJRIJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008671
s1c2CCCCCCc2cc1C(O)C	PC-id_71670717	210.336	YQBMTMWJTZBIMQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008672
s1c2c(CCCCCC2)c(CCO)c1	PC-id_71670729	210.336	LDIVTPLFAVNJAQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008673
s1c2c(CCCCCC2)c(C(O)C)c1	PC-id_71670725	210.336	XZYJFUJMCIDXLQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008674
c1(NC(C)C)sc2c(CCCCC2)n1	MCULE-3828409167,PC-id_60734335	210.339	OZDWXOFHJNERGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008675
CC(c1nc2c(s1)CCCCC2)(N)C	EMOLS-id_38234390,PC-id_61336867	210.339	ZGFWGZRCWFAVRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008676
CC(c1sc2c(n1)CCCCCC2)N	EMOLS-id_38233774,PC-id_3250067	210.339	KOHUEUKKAGAOMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008677
CCC(c1nc2c(s1)CCCCC2)N	EMOLS-id_38233966,PC-id_61338200	210.339	UGEUROPDGIRZMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008678
CC(Cc1nc2c(s1)CCCCC2)N	PC-id_62651950,EMOLS-id_39251864	210.339	JVQDNNXNACNUBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008679
CC(Cc1nc2c(s1)CCNCC2)C	PC-id_105464512	210.339	VNHTZORSUXSOAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008680
C[C@H](c1sc2c(n1)CCCCCC2)N	MCULE-3158136845	210.339	KOHUEUKKAGAOMG-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008681
C[C@@H](c1sc2c(n1)CCCCCC2)N	PC-id_82673253,EMOLS-id_114702511	210.339	KOHUEUKKAGAOMG-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008682
CCNc1sc2c(n1)CCCCCC2	PC-id_62943294,EMOLS-id_39469722	210.339	YQLILOGMCVRIMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008683
CNCc1sc2c(n1)CCCCCC2	PC-id_3249911,EMOLS-id_39152321	210.339	AJYGWHCBNBWLNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008684
CNCCc1nc2c(s1)CCCCC2	EMOLS-id_39153013,PC-id_4263933	210.339	OHLIMPBQGUBPEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008685
CSn1c2c(CCCCCCC2)cn1	PC-id_135267548,SCHEMBL20430654	210.339	QZQLXOGSEDMQHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008686
n1c(CNCC)sc2CCCCCc12	EMOLS-id_39152395,MCULE-1833750015,PC-id_46784951	210.339	VPOMQOYPAXMUGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008687
NCC(c1nc2c(s1)CCCCC2)C	PC-id_24274515,EMOLS-id_39250034	210.339	QUDLUWZBALNVSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008688
NCCc1sc2c(n1)CCCCCC2	PC-id_4040153,EMOLS-id_37407537	210.339	RTXVJTOMVHWJMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008689
NCCCc1nc2c(s1)CCCCC2	PC-id_24274516,EMOLS-id_39247176	210.339	LNHGRFXBOAHPTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008690
NNC(c1cc2c(s1)CCCCC2)C	EMOLS-id_50841580,PC-id_105282535	210.339	XUPBBHYMXSJXNM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008691
s1c2CCCCCc2nc1[C@H](N)CC	PC-id_82673257	210.339	UGEUROPDGIRZMP-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008692
s1c2CCCCCc2nc1C(NC)C	PC-id_4546170	210.339	OHQJGVNHOYJMHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008693
s1c2CCCCCc2nc1NCCC	PC-id_60734413	210.339	OOMLNKSXLNOUER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008694
s1c2c(CCCN(C2)C)cc1CCN	PC-id_82612549	210.339	OCOIKMBPPAQVLA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008695
s1c2CCN(CCc2cc1N)C(C)C	PC-id_20244825	210.339	CPSGKEBBOKBXPS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008696
s1c2CCN(CCc2cc1N)CCC	PC-id_20244893	210.339	MVZBSSPSABXJDH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008697
s1c2CC(N(C(Cc2nc1C)C)C)C	PC-id_20672123	210.339	JCMRUTZMDAJPQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008698
s1c2c(sc1=S)C=CC=CC=C2	PC-id_85723989	210.339	SBWDBTFCQQCZCL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008699
s1c(c2CCCN(Cc2c1)C)CCN	PC-id_82612548	210.339	KTBUSOUDJFMBRG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008700
s1c(c2CN(CCCc2c1)C)CCN	PC-id_82612547	210.339	AEYKKLOINUCPIC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008701
S1CC(c2[nH]ncc2C(C1)(C)C)(C)C	PC-id_86183430	210.339	SEVKYCWMHRUWNB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008702
s1c(nc2CCCNCc12)C(C)(C)C	PC-id_84677943	210.339	LHLDHYHRGJDHFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008703
s1c2c(C[N+](CCCCC2)(C)C)cc1	PC-id_13790928	210.359	CEMNIVAVCWQSJA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008704
s1c2C[N+](CCCCCc2cc1)(C)C	PC-id_13790930	210.359	FGJFWDCYMUJEMB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008705
CC1CC=C(Cl)N=C(c2c1[nH]cn2)N	PC-id_136591257,SCHEMBL15759739	210.663	CXHOUWQUXHNKEW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008706
ClC1=CCc2c(C=C1)sc(c2C)C	PC-id_142193089	210.723	KHVOWDDUZOCGPF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008707
C1=CC2=C(C(=S)SC=C1)SC=N2	PC-id_164174794	210.958	ZYOUHRREUPSULS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008708
BrC1=CCC=Cc2c1occ2	PC-id_142170042	211.055	BLUSJJYFBWXHEM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008709
BrC1=CN=c2c(=CC1)cc[nH]2	PC-id_143020055	211.059	ITJBOWGETANEFL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008710
CC1=CC2=C(S1)CCCCN2C(=O)O	PC-id_162348842	211.067	SFLJKYZLZWJWQN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008711
CC1=CC2=C(S1)CCCN(C2)C(=O)O	PC-id_162348844	211.067	XEWGFCQOVJOIAT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008712
CC(N1CCCn2c(ccn2)C1=O)S	PC-id_163791088	211.078	MWUFSDVDPQCLMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008713
CC(=O)N1CCC2=C(CC1)SC(=N2)N	PC-id_163938852	211.078	RPFCNJZLBMNNPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008714
CN1CC/C(=NO)/C2=C(S1)C=CN2C	PC-id_149057298	211.078	QLCBEEOZVROYSF-JXMROGBWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008715
Cc1ccc2-c(c(cc2Cl)Cl)cc1	PC-id_134857885	211.087	ATBMWSCCNLDRGB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008716
Clc1cc2-c(c(cc1Cl)C)ccc2	PC-id_85898914	211.087	ABXXEVHAIKROOG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008717
C1C(CN2C=NC=C2CN1C(=O)O)CO	PC-id_153991440	211.096	CAWBBVRALPVWQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008718
CN(C)CC1CCCOC2=CSC=C12	PC-id_165145755	211.103	ITPAJSBNDZITBV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008719
CNC[C@H]1C2=C(CCCCO1)C=CS2	PC-id_163857537	211.103	OZPNZPVIRXAEMK-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-008720
CC(C)N1CC(c2ccnn2CC1=O)F	PC-id_164102875	211.112	JOVCXLQJGZVFFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008721
CN1CCCCNCC2=C(C1)SC=N2	PC-id_153654532	211.114	VTSJEUXWCCICFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008722
[se]1nnc2c1C=CCCC=C2	PC-id_5369378	211.123	RKDXZLMBMPUYOI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008723
[se]1nnc2c1CCC=CC=C2	PC-id_86119463	211.123	FMAYPVYZNYXVKB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008724
[se]1nnc2CCC=CC=Cc12	PC-id_13358526	211.123	MHAMTLHYKDOCHE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008725
[se]1nnc2CC=CCC=Cc12	PC-id_86119432	211.123	MOXTYHAULMJNRG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008726
NC(=O)C1C(=O)Oc2n(OC1=O)ccn2	PC-id_141897609	211.132	RTWKXVAWBIHIHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008727
C1CC(=O)c2c(n(c(c2C(=O)C1)O)O)O	PC-id_136655727	211.171	PFVDOGGGFBKVBT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008728
o1nc(c2c1CCCC(O)C2=O)C(=O)O	PC-id_82612646	211.171	MSRYTXPRTWJLOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008729
o1[n+]([O-])c2CCCN=C(OC(=O)C)c2n1	PC-id_611047	211.175	UEJQIRYKHREBFO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008730
o1c2CCCNC(=O)c2c(c1N(O)[O-])C	PC-id_21140774	211.195	URZZFGHADBGNBN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008731
COC(=O)Cn1cc2c(c1)OCCCO2	PC-id_57738874,SCHEMBL3241038	211.215	VLVZZXGXUKMKKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008732
N#Cc1ccccc2-c1ccc2OC(=O)C	PC-id_102228888	211.216	YTQJVDNFCNDTDZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008733
O(c1c2-c(cc1)ccc(cc2)C#N)C(=O)C	PC-id_85785833	211.216	ZTYRFJBLWJBEDP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008734
O(c1cc2-c(c1)ccc(cc2)C#N)C(=O)C	PC-id_85630652	211.216	AOSMZZFTQRQYCA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008735
OC(=O)c1c2-c(c(c1C)C#N)ccccc2	PC-id_10889185	211.216	ATVDRSKWFOVVCR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008736
C1CC[C@@H](c2n[nH]nc2CC1)OC(=O)O	PC-id_137349165	211.218	ZBJGIWFCJONVKZ-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008737
CC1NCc2n(CC1)cc(n2)OC(=O)O	SCHEMBL4430930,PC-id_69041058	211.218	AEJDIVBLBLMOII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008738
COC(=O)Oc1cn2c(n1)CNCCC2	PC-id_70893712,SCHEMBL13372883	211.218	ZVPNGHYNIRQRTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008739
O1c2n(nc(c2)C(N)C(=O)O)CCCC1	PC-id_82660430	211.218	IGUSIZGXEXWHTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008740
O1CCCCn2nc(nc12)CCC(=O)O	PC-id_82660433	211.218	HEGNAMWAQFCRTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008741
o1nc2CCN(CCc2c1N)C(=O)OC	PC-id_83916795	211.218	HTZMGGUZIZZSKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008742
O=c1[nH][nH]c2CCN(CCc12)C(=O)OC	PC-id_83848840	211.218	FHOMPOVMYIMPDH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008743
OC(=O)Cn1c(=O)n2c(CCCCC2)n1	MCULE-5656332881,EMOLS-id_16784445,CoCoCo_4673241,PC-id_25490768,ZINC22_12760855	211.218	MJUSVNLNPPZGSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008744
On1c(=O)n2n(c1=O)CC(C=CC2)(C)C	PC-id_141834059	211.218	VSQIMORXTFPHIC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008745
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O=CC1(F)CCCCCc2c1nnn2C	PC-id_144371688	211.236	ZAVIZBZMEMGASY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008747
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OC(=O)N1CCCC(=O)c2c1ccs2	PC-id_138489619,SCHEMBL20837891	211.238	HKDCFXNNLHQWAN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008749
s1c2c(CCCNC2=O)c(c1)C(=O)O	PC-id_82394635	211.238	FRXFXSUCXLYNTF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008750
s1c2CCOC(N)C(=O)c2cc1C=O	PC-id_82612701	211.238	AQHDVUCFAAGDLV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008751
s1c2OCCNC(=O)c2c(c1C=O)C	PC-id_23383284	211.238	LJPULHSMVGWPJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008752
s1c(c2c(CCCNC2=O)c1)C(=O)O	PC-id_84015672	211.238	MMSSYYRNBSMYHP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008753
s1c(c2CCCNC(=O)c2c1)C(=O)O	PC-id_84015673	211.238	JKOONJJNBVKUKV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008754
N#CC(=c1nc2c(=CC=CC=C2)s1)C#N	PC-id_101376311	211.242	HHWVGIRZRWAIFV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008755
CCCCOn1cc2c(c1)OCCCO2	SCHEMBL10068943,PC-id_68025048	211.258	WBKBJBFMQBFTJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008756
COCCN1CCC(c2c(C1)occ2)O	SCHEMBL2841248,PC-id_68411922	211.258	QDPCKXOCSPXONY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008757
O1c2c(OCCC1)cn(CCCCO)c2	PC-id_85973493	211.258	YUNJHLTVWHHAIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008758
C/C(=Cc1ccc2-c1ccccc2)/C(=O)N	PC-id_141678256	211.259	AWXWIQPINULZHQ-MDZDMXLPSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008759
O(c1c(c2-c(c1C#N)ccccc2)C)CC	PC-id_15082579	211.259	LUVXBSIWGVDFDC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008760
O=C=c1cc2-c(c1=CN(C)C)ccccc2	PC-id_141531103	211.259	CHVHXYAGTJLCAO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008761
O=C(C(=C)C)Nc1ccc2-c1ccccc2	PC-id_140293536	211.259	AZILIJUXSVWQAN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008762
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S1c2n(CCCC1)cc(n2)CCCN	PC-id_82660525	211.327	AGCLPHBZXUWIKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008875
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[O-][N+](=O)C1=CCc2c(C=C1)nc([nH]2)Cl	PC-id_143030612	211.605	HUIVXHXIPYAECC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008885
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CNCC1=NCC(=Nc2c1[nH]cn2)Cl	PC-id_136619828	211.651	AIKIRFZOAJWMTH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008887
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CC#CC(=O)N1C2=CC=CC=CC2=NC1=O	PC-id_154177418	212.059	IRAGFIRSIZRCCX-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-008891
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CC1CC2=C(C(=O)N(C1)SC)OC=N2	PC-id_155030238	212.062	ZEYWDBPAYOYIHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008894
CN1CCCC2=C(C1=O)SC(=N2)CO	PC-id_163943961	212.062	RTLMMFFXJUNHOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008895
Clc1c2-c(c(Cl)c1)ccc(N)cc2	PC-id_11322627	212.075	NDHIMECFYBLFBW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008896
Clc1c2-c(c(Cl)c1N)ccccc2	PC-id_12039474	212.075	JXZDZBMJPYRCTI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008897
CC(C)C1=NN2CS(=O)CCCC2=C1	PC-id_161971878	212.098	UQJVLAZRXSTGSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008898
CC1CCCCCC2=C1C(=C(S2)F)C	PC-id_148037087	212.103	JDSMVIASEZPEJD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008899
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Cc1nc2c(n1P)C(=O)NCC(=O)N2	PC-id_142833054	212.146	FTJBOLQHXAKYDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008901
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CCCCC1=CC(=C2C=CC=C2C(=C1)C)C	PC-id_154095697	212.157	JXIOKGZJLHLWHY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008905
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FC(F)(F)c1cc2-c(c(O)cc2)ccc1	PC-id_85785837	212.168	NXFJDKQYXMQDSD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008907
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COC(=O)c1c2CCOCCn2c(=O)[nH]1	SCHEMBL15969051,PC-id_90354810	212.203	PGTKMBIHNHHATO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008909
COC(=O)C1CCCCc2n1c(=O)on2	PC-id_9859173,SCHEMBL6803281	212.203	XXBYKEXFXAWKQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008910
c12-c(c(c(c1)CC)C)cccc(C(C)C)c2	PC-id_19815704	212.33	WTGUCYPZQOIAEZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009009
COC(=O)N1CCCc2c(C1)c(O)no2	PC-id_12383656,SCHEMBL10460218	212.203	ZAWNGCPCBZJPHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008911
NC1(C(=O)O)CCCCc2onc(O)c12	PC-id_10465771,CHEMBL325096	212.203	QYAGGDNSESWXHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008912
o1c2CCCNC(=O)c2c(c1[NH+](O)[O-])C	PC-id_21140773	212.203	CYZQGRXILKZOPY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008913
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o1[nH]c(=O)c2CCCNC(c12)C(=O)OC	PC-id_10465770	212.203	WGIJTHPUVFYRQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008915
o1[nH]c(=O)c2CCN(CCc12)C(=O)OC	PC-id_54330222	212.203	SXUVJRUYURNBOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008916
OC(=O)[C@@]1(N)CCCCc2c1c(=O)[nH]o2	PC-id_101675673	212.203	QYAGGDNSESWXHI-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008917
OC(=O)[C@]1(N)CCCCc2c1c(=O)[nH]o2	PC-id_101675674	212.203	QYAGGDNSESWXHI-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-008918
OC(=O)c1c2-c(c(c1N)C#N)ccccc2	PC-id_13409898	212.204	LBHHVJROGICNQQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008919
CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965372,PC-id_71569173	212.206	DGIBNTLWCQBADG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008920
CN1COOCc2c1ncn2CC(=O)N	PC-id_89901362,SCHEMBL15384481	212.206	UHPAROIAFIOSRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008921
NC(=O)Cn1nc(c2c1OCCCO2)N	PC-id_96613309	212.206	BQFKERCBJHFQJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008922
O1CCCCn2nc(nc12)C(N)C(=O)O	PC-id_82660558	212.206	VCFVJSYBEVEQQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008923
OC(=O)c1c(CF)nn2CCCCCc12	EMOLS-id_337770534	212.221	WQRWRGIXIOKKSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008924
OC(=O)c1c(F)nn2CCCCCCc12	EMOLS-id_337768998	212.221	KRCJNEHVUQUGEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008925
O=Cc1sc(c2c1OCCCO2)C=O	PC-id_144891825	212.222	YOYVFNKBMKOFGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008926
OC(=O)c1scc2OCCCC(=O)c12	EMOLS-id_337723290	212.222	AZNMTGJJAANXAM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008927
s1c2CCOCC(=O)c2cc1C(=O)O	PC-id_84015720	212.222	CPKQZBQHZPWIHT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008928
s1c2CCOC(O)C(=O)c2cc1C=O	PC-id_82612957	212.222	WXHMVVYFMPRTSD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008929
C1Cc2c(ccs2)C(=O)N(C1)[N+](=O)[O-]	PC-id_85872384	212.226	HEQKBPIKPGHDQA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008930
C1Cc2c(cc(s2)[N+](=O)[O-])C(=O)NC1	PC-id_91621117	212.226	VDQOWLMJHQXIMB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008931
c1(sc2c(NC(=O)CCC2)c1)N(=O)=O	EMOLS-id_2342671,MCULE-8111087294,ZINC22_4007162,PC-id_2837708,CoCoCo_613760	212.226	QBKFYJWVRSZVGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008932
NC(=O)C1COc2c(C(=O)N1)scc2	PC-id_71161592,SCHEMBL14397766	212.226	PMDQILGVUHTVFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008933
s1c2c(NCCNC2=O)c(c1)C(=O)O	PC-id_49830989	212.226	XUWWMFMANNCOKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008934
s1c2c(NC(=O)[C@@H](NC2=O)CO)cc1	PC-id_16122352	212.226	NMMHFMCZLLATJE-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008935
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s1nc2N(C(=O)CN(C(=O)c2n1)C)C	PC-id_10584637	212.229	WOQRXGHXCDCHQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008937
CS(=O)c1cc2c(o1)C=CCC=C2F	PC-id_134566732,SCHEMBL20216890	212.241	MODUGZCSECHZBX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008938
C#Cc1c(=O)oc2-c1cc(ccc2)C(C)C	PC-id_101952417	212.244	JHHTXXUZLQYPCH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008939
CC(=O)c1ccc2-c(cc1)ccc2C(=O)C	PC-id_102071710	212.244	MWRUYVRTESRGSZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008940
CC(=O)c1cccc2-c(c1)ccc2C(=O)C	PC-id_102378808	212.244	UZNPNUYUCQNWON-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008941
COC(=O)c1c(=C)c(=C)c2-c1ccccc2	PC-id_102329964	212.244	DCZOHXSKCARPME-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008942
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OC(=CC(=O)C)c1c2-c(cc1)ccccc2	PC-id_86081807	212.244	OAUTZDNZQWSXFY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008947
OC(=O)C=Cc1c2-c(c(c1)C)ccccc2	PC-id_70404907	212.244	GBFVYPGOWRTXOP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008948
OC(=O)/C=C/c1c2-c(c(c1)C)ccccc2	SCHEMBL10615581,PC-id_70404905	212.244	GBFVYPGOWRTXOP-BQYQJAHWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008949
CCOCC1CCCCc2n1c(=O)on2	PC-id_23500526,SCHEMBL6797789	212.246	OKGMRMIQAZKIAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008950
o1nc2n(C(CCCC2)CCCO)c1=O	PC-id_9815732,SCHEMBL6797133	212.246	DJNVUEYJGDQQQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008951
Oc1cccc(=S)c2c1c(=O)os2	CHEBI:29694,UNPD90992,SCHEMBL455699,EMOLS-id_337888397,CNP0186911	212.246	DQGOJKVIMNNGAH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-008952
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Cc1noc2c1C(SCC(=O)N2)(C)C	PC-id_137219288	212.269	PVINIVBARHVOAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008961
CN1CCc2c(CC1)nc(s2)C(=O)O	PC-id_57804594,SCHEMBL3300620	212.269	YUGWCLUMMQTEGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008962
CN1CCCc2c(C1)sc(n2)C(=O)O	SCHEMBL13394459,PC-id_23087912	212.269	FPOIWXWSLMTWLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008963
COC(=O)c1nc2CCCCNc2s1	EMOLS-id_316793096,MCULE-6662799741,PC-id_10375889,SCHEMBL8314044,ZINC22_38673389	212.269	NPTNZDAKRVZNDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008964
OCc1nc2c(s1)C(=O)NCC(C2)C	PC-id_144202800	212.269	MDVGEYWRLZPEJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008965
OC(=O)c1c(N)sc2c1CCNCC2	SCHEMBL10851877,PC-id_20244831	212.269	YWXJNWJCMUDQFB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008966
OC(=O)c1n(C)nc2c1CCSCC2	PC-id_112711777	212.269	YBLIPHHWHNKUCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008967
OC(=O)Cc1n[nH]c2c1CCSCC2	PC-id_112711785	212.269	VTMQNGIXGPYLDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008968
s1c2c(CC(NCC2)C(=O)NO)cc1	PC-id_57251327	212.269	NGAIVKDMZIXBEF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008969
s1c2C(N)(CCCNc2cc1)C(=O)O	PC-id_83672499	212.269	IWPCMLKSRDHYSG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-008970
S1CCCCn2c1nc(c2)CC(=O)O	PC-id_82660589	212.269	AKSPMOJTMIKVSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008971
S1CCCCn2nc(cc12)CC(=O)O	PC-id_82660590	212.269	HMYVCSQGUUCBAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008972
Cc1nsc2c1N(C(=O)C(CN2)N)C	SCHEMBL19031538,PC-id_137199980	212.272	FXBVFAXOZWYTPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008973
Cc1nsc2c1N(C(=O)[C@H](CN2)N)C	PC-id_137199979,SCHEMBL19031536	212.272	FXBVFAXOZWYTPU-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008974
S1CCCCn2nc(nc12)C(=O)CN	PC-id_82660591	212.272	GXPQMSMDGWECHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008975
c12-c(c(cc(cc1C)C)C)ccc2C(=O)C	CNP0076832,SPECS-id_AE-641/02452031,MCULE-4037146600,ZINC22_32233969,PC-id_607590,EMOLS-id_58033917	212.287	JUOAKPCWAPSQLK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008976
Cc1cccccccc2c1c(C)c(o2)C	PC-id_141004408	212.287	QBAORXGSEJMTGV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008977
CCc1c2-c(c(c1C=O)CC)ccccc2	PC-id_102378833	212.287	FYXWDGYRLGQDMK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008978
CC(c1ccc(c2-c(c1)ccc2)C(=O)C)C	PC-id_101747557	212.287	ODGZOOADASBLNA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008979
CC(c1cccc2-c(c1)ccc2C(=O)C)C	PC-id_13669812,SCHEMBL10414059	212.287	IFUKFUPDMNQBBT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008980
CC(c1cccc2-c(c1)c(cc2)C(=O)C)C	PC-id_14515745,SCHEMBL10414624	212.287	CVGKYTLEECDRSD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008981
CC(C)c1ccc(C)c2-c(c1)c(cc2)C=O	HMDB0035736,CNP0218956,UNPD189756,PC-id_11117364	212.287	VAMFCHMEVQNLHP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008982
C=C(C)c1ccc(C)c2-c(c1)c(cc2)CO	HMDB0041460,PC-id_154186,CNP0195242,UNPD100957	212.287	UELYVRHCROBZCL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008983
C/C=C(c1oc2=CC=CCC=c2c1C=C)/C	PC-id_143232109	212.287	NBXQRKNZAWESHA-WCIBSUBMSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008984
CCCC(=O)c1ccc2-c1ccc(cc2)C	PC-id_101676369	212.287	YUOYGMMDSXJWMC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008985
O=Cc1c2-c(c(c1)C)c(cc(cc2C)C)C	PC-id_15652202	212.287	YORAJRPAGBCTSB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008986
O=C(c1c2-c(c(CCC)c1)ccccc2)C	PC-id_15255143	212.287	JXCPZXYSXSBVNT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008987
O=Cc1c2-c(ccc(C(C)(C)C)cc2)cc1	PC-id_11830759	212.287	XVJFYHFANFQQFK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008988
O=C(c1cc2-c(ccc2CC)c(cc1)C)C	PC-id_66556190	212.287	LKEVVTDLGUTSES-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008989
O=C(c1cc2-c(c(cc(cc2C)C)C)c1)C	PC-id_10899937	212.287	HLZFRUJZISSHKT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-008990
O=C1CCC[n+]2csc(CCO1)c2C	PC-id_101920835	212.289	NKOJYHASXAVAOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008991
C/C(=CC(=C)N)/C1=c2cc[nH]c2=CCC=C1	SCHEMBL18696309	212.29	FRXQBWOIFDGADI-MDZDMXLPSA-N	00000000100000000110000000000010000000000000000000000000	31-01-008992
s1c2c([nH+]c1N)CC(CNC2=O)(C)C	PC-id_3258277	212.292	KRPZAWRISMXVDQ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-008993
CC1(C)CC(C)(C)Oc2c(O1)csc2	SCHEMBL1799753,PC-id_57822891	212.309	FYEZICHAHZZFNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008994
Cc1sc(c2c1OCC(CO2)(C)C)C	SCHEMBL9971681,PC-id_20726170	212.309	HXGZRCHSJLPXNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008995
CCC1(CC)COc2cscc2OC1	ZINC22_36373136,SCHEMBL2754120,PC-id_11736003,EMOLS-id_13732726,MCULE-2030253073	212.309	HMKHKPKUPVRLOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008996
CCCC1(C)COc2c(OC1)csc2	PC-id_68974053,SCHEMBL4248064	212.309	WXZLBVPOHSKEMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008997
c1([C@@H](CO)N)sc2c(CCCCC2)n1	PC-id_82673796,MCULE-6318945563	212.312	IBQDHJALFAGYGF-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008998
CC1(CSCC(c2c1nno2)(C)C)C	PC-id_135052632	212.312	XFBJDMQIVUQQHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-008999
s1c2CCCCCc2nc1[C@@H](O)CN	PC-id_82673803	212.312	LHYJFKVQVFSBHZ-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009000
s1c2c(n(CCN)c1=O)CCCCC2	PC-id_82508527	212.312	CLPYBSQVNNVEGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009001
S1c2n(CCCC1)cc(n2)CC(O)C	PC-id_83675662	212.312	JWQCTNAFXJPKEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009002
S1c2n(nc(CC(O)C)c2)CCCC1	PC-id_83675659	212.312	XKFZUOVMMAFAKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009003
NCCSc1nnc2n1CCCCC2	EMOLS-id_37225767,PC-id_28374294	212.315	NOONPVKRNCBRGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009004
S1CCCCn2nc(nc12)CCCN	PC-id_82660638	212.315	PNLXDPJBJYRATM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009005
S1CCCCn2nc(nc12)CCNC	PC-id_82660637	212.315	UITCPGXYWFZGGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009006
c12-c(c(c(c1C)C)C)c(cc(cc2C)C)C	PC-id_12054882	212.33	LCTCWSICHNKOAU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009007
c12-c(c(cc1C)C)c(ccc(C(C)C)c2)C	PC-id_12822774	212.33	QMENLZUTKYTOKT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009008
c1(C(C)C)c2-c(cc(C(C)C)ccc2)cc1	PC-id_19815705	212.33	DLEQNBODWPNWPE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009016
Cc1cc(c2-c1ccc(cc2)C(C)(C)C)C	PC-id_101680224	212.33	RCHSFKFUSGJEIU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009017
C(c1cc(c2-c(c(c1)C)ccc2)C)(C)(C)C	PC-id_10899943	212.33	OTVQGUCHBOCKBP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009018
Cc1cc(c2-c(cc(c2)C(C)C)c(c1)C)C	PC-id_134983227	212.33	CMTOALUCRMAADM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009019
C(Cc1c2-c(cc1)ccccc2)CCCC	PC-id_15152012	212.33	JDZLNGJBJGFTTK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009020
C(C(C)C)c1c2-c(c(cc(c1)C)C)ccc2	PC-id_85604026	212.33	SFBHZCVBCWJLHC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009021
CCCCCCc1cc2-c(c1)ccccc2	PC-id_101406192	212.33	HNHMCSUEESCFCW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009022
CSc1cc2c(s1)C(=O)CCCC2	PC-id_90964420	212.332	FOGUJMKLJZVGMW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009023
S1C(CC(=O)c2sccc2CC1)C	PC-id_12383581	212.332	DNADMXRTVHOELV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009024
CCC1CSc2c(C(=N1)N)scc2	PC-id_53935217,SCHEMBL8193587	212.335	ITWQXHNTLCDDDY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009025
CC[C@@H]1CSc2c(C(=N1)N)scc2	SCHEMBL8194863,PC-id_53935218	212.335	ITWQXHNTLCDDDY-ZCFIWIBFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009026
CC[C@H]1CSc2c(C(=N1)N)scc2	SCHEMBL8218288,PC-id_57179921	212.335	ITWQXHNTLCDDDY-LURJTMIESA-N	00000000100000000111000000000010000000000000000000000000	31-01-009027
NCc1sc2c(c1)C(=S)NCCC2	PC-id_141859733	212.335	KOUGZHJCZSNYRN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009028
s1c2c(nc1)CC(CNC2=S)(C)C	PC-id_6425360	212.335	BTMUGQSWLJSBJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009029
s1c2N(CCN=C(SC)c2cc1)C	PC-id_85717678	212.335	SDVOZGJSNNEJCU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009030
s1c2c(sc1=S)C=CCCC=C2	PC-id_85723988	212.355	OGUCZYVKHMSIBP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009031
CSc1cc2c(s1)CCCCCC2	PC-id_91257596	212.375	QLWAMTFPTRCQSG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009032
s1c(c2c(CCSCCC2)c1C)C	PC-id_12383588	212.375	AIEYRSJHWWLHLG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009033
s1c(SC)c2CCCCCCc2c1	PC-id_23254577	212.375	UAYWSEXHBCGFQT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009034
Cc1nn2CCCCCc2c1C(=O)Cl	EMOLS-id_337772068	212.676	KHGQBUXCAZCJSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009035
Clc1n2CCCCCc2nc1C(=O)C	PC-id_84679422	212.676	BBCXLHZGPZRTHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009036
ClC1=C(OC)c2c(scc2)CC=C1	PC-id_24974439	212.696	DQJSQLFFPXQOCY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009037
CCCn1nc2c(c1Cl)CCCCC2	EMOLS-id_41630948,PC-id_66022838	212.719	HZINKPCXJQHEAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009038
CC(n1nc2c(c1Cl)CCCCC2)C	EMOLS-id_41630846,PC-id_66020365	212.719	FXFYZIHUGVRYOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009039
Clc1c2-c(sc1=S)ccccc2	PC-id_71380908	212.719	RDJZCMXCVZOTCJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009040
C1=CC(=NN=C2C1=NN=N2)S(=O)(=O)O	PC-id_153882419	212.996	WGVQWZBIYVQCOH-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009041
Clc1c2-c(c(Cl)c1)ccc(O)cc2	PC-id_10656206	213.06	IDZSHRKBGIUFPW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009042
Clc1c2-c(c(Cl)c1O)ccccc2	PC-id_85886103	213.06	CMHTWXWVADSLSC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009043
Clc1cc2-c(c(O)cc2)ccc1Cl	PC-id_86018987	213.06	SDUOGUMKZUTMOF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009044
[se]1nnc2c1CCCCC=C2	PC-id_5370870	213.138	FKQQHVZSHAQOJY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009045
[se]1nnc2CCCCC=Cc12	PC-id_12579026	213.138	ASNWQHHMLSKIRY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009046
[se]1nnc2CCCC=CCc12	PC-id_12579029	213.138	UKJIEOQKBDJNRA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009047
[se]1nnc2CCC=CCCc12	PC-id_12579030	213.138	XUTXEKODRRBPHC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009048
Cc1nc2c(n1P)C(=O)N(CCN2)N	PC-id_142250042	213.177	QMGIUSDGJVDPAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009049
O1c2c(OCCC1)c(oc2CN)C(=O)O	PC-id_83668319	213.187	UVQVKKZMYUKGHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009050
O=C1NCC=Cc2c1n(P)[nH]c2=S	PC-id_142224345	213.197	PEEMIZJIPLXCLK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009051
NC(=O)C1COc2c(C(=O)N1)scn2	SCHEMBL5318824,PC-id_69402842	213.214	MESGWYMLLUFZDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009052
s1nc2N(C(=O)C(OC(=O)c2n1)C)C	PC-id_10632375	213.214	RDNUCQRGXWCYFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009053
FC(Cn1cc2c(c1)CCCCC2=O)F	PC-id_83207495,EMOLS-id_260622200	213.224	FGXULIIDSVARCR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009054
o1c2-c(cccc(c2)C(C)C)c(c1=O)C#N	PC-id_85599812	213.232	WIGRQSLMQNQNPU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009055
o1c2-c(cc(C(C)C)ccc2)c(c1=O)C#N	PC-id_14545192	213.232	XOKKPUGDXIPMOQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009056
NC(=O)N/N=C/c1ccc2-c1ccccc2	PC-id_121009165	213.235	DCRYHELOENSOFK-RIYZIHGNSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009057
O=C(c1nnc2-c1ccccc2)NC1CC1	PC-id_68961916,SCHEMBL4220995	213.235	TXNYEKFAUUDJQG-UHFFFAOYSA-N	00100010100000000111000000000010000000000000000000000000	31-01-009058
CN1CCCOc2c1cc(s2)C(=O)O	PC-id_98010994	213.254	GCLDEEHMYNCBGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009059
CN1CCCOc2c1sc(c2)C(=O)O	PC-id_96612602	213.254	GLXKBJQWCGVBES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009060
OC(=O)c1c(N)sc2c1CCOCC2	PC-id_70297976,SCHEMBL8189546	213.254	MKKJOKJDADCVQP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009061
OC(=O)N1CCc2c(C(C1)O)ccs2	SCHEMBL3307502,PC-id_68590082	213.254	FGFXPHAJBNLCGM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009062
OC(=O)N1CCc2c([C@@H](C1)O)ccs2	PC-id_68590080,SCHEMBL3307496	213.254	FGFXPHAJBNLCGM-SSDOTTSWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009063
OC(=O)N1CCc2c([C@H](C1)O)ccs2	PC-id_69174506,SCHEMBL4751946	213.254	FGFXPHAJBNLCGM-ZETCQYMHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009064
OC(=O)Oc1cc2c(s1)CCCNC2	SCHEMBL11289658,PC-id_70555045	213.254	CSKZGIMFABOQQS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009065
s1c2c(CCCNC2)c(O)c1C(=O)O	PC-id_83668294	213.254	AEFJYKKUUJHMNO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009066
s1c2C(O)(CCCNc2cc1)C(=O)O	PC-id_83672448	213.254	RCARILYVZKSFMN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009067
S1CCc2c(noc2CC(=O)O)CC1	PC-id_83871644	213.254	KEIUJAXAUPNMIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009068
Cn1ncc2c1CC=CCNS2(=O)=O	PC-id_102495677	213.257	RSSIVWFQRJXFIG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009069
O=C1CCS(=O)c2c(N1)c(C)nn2C	EMOLS-id_114725148,PC-id_105357024	213.257	XFAWENDDIRUQMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009070
S1CCCCn2nc(nc12)CC(=O)O	PC-id_82660669	213.257	KPYWMJOENWTJQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009071
C/C/1=C/C(=C)N=c2/c(=CC/C=C1)/cc(o2)C	PC-id_144459955	213.275	LJAONQRYFFSWAK-OODTWJGISA-N	00000000100000000110000000000010000000000000000000000000	31-01-009072
CC/C=Cc1c(C=N)oc2c1C=CCC=C2	SCHEMBL19937473,PC-id_134316561	213.275	BGDOPFHNKGKTNS-YTPXHGLMSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009073
FSn1nc2c(c1)C(=C)C(CCN2)C	PC-id_144315322	213.275	WDGHHUPISMESAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009074
NC(=O)Cc1cc(C)cc(c2-c1ccc2)C	PC-id_110181317	213.275	CJXVITGWCIQFMO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009075
O=C(N(C)C)c1ccc2-c(cc(c2)C)cc1	PC-id_85895219	213.275	PWEDIYCOQNXRPH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009076
N(c1nc2-c(ccccc2C(=C)C)n1)(C)C	PC-id_14948672	213.278	KGQBCVUBGMPSEG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009077
C
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s1c2c(nc1)C=CC=CC=CC=CC=C2	PC-id_85875562	213.298	XLWGKJVECSZGPZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009079
CCS(=O)N1CCCc2c(C1)c[nH]n2	MCULE-5349071279	213.3	WLAMBRQCNUUYPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009080
OCCSc1nnc2n1CCCCC2	PC-id_43391374,EMOLS-id_37233269	213.3	WTQRDNVFFJPFQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009081
s1c2CCN(CCc2nc1N)CCO	PC-id_215686	213.3	KVJFXKYWTONAPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009082
S1c2n(CCCC1)cc(n2)C(N)CO	PC-id_82660721	213.3	FGAAOILUDPIFME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009083
S1c2n(nc(C(N)CO)c2)CCCC1	PC-id_82660722	213.3	VBGXBLHYHMHTEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009084
S1CCCCn2nc(nc12)CC(O)C	PC-id_83675667	213.3	XHSPGJATEOUKIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009085
CNC[C@@H]1CCCCc2c1cc(s2)F	PC-id_144197619	213.315	XAHBNGMXPIMMBN-QMMMGPOBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009086
CCc1c(n(c2c1C=CCC=C2)C)C=CC	PC-id_90912283	213.318	NWAPOCSWBHXQEN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009087
CCCc1c2CC=CC=Cc2n(c1C=C)C	PC-id_143620477	213.318	JQJOIWAGCNELLS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009088
CC/C=c/1c(=C/C)[nH]c2=CCC(=CC=c12)C	PC-id_144942655	213.318	OREVQBZPKDTUID-BCXMZLAXSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009089
CC/C=Cc1c(C)c2c(n1C)C=CC=CC2	PC-id_143324279	213.318	NKYPFDGRWVIKGG-YHYXMXQVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009090
N(Cc1ccc2-c(cc1)ccc2)(CC)CC	PC-id_13545273	213.318	VGIRREPRMYBRBC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009091
N(CCCCC)c1cc2-c(c1)ccccc2	PC-id_85886106	213.318	LXAIWXKUUYWXDM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009092
c12ccsc1SCCN(CC)C2=O	EMOLS-id_42972080,PC-id_2765781,MCULE-2625251913,ZINC22_4013696	213.32	CCTGONYYLHRNRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009093
CC(=O)c1cc2c(s1)NCCCS2	PC-id_96612386	213.32	FMRBZJSNGRIWMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009094
CC(=O)c1cc2c(s1)SCCCN2	PC-id_96612387	213.32	XNJWGFINODNHSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009095
OCc1sc2c(c1)C(=S)NCCC2	PC-id_139776108	213.32	TZBVVHUKGMTPSA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009096
s1c2CCCNC(=O)c2cc1SC	PC-id_85717761	213.32	ZZHGYXKKXVZEIM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009097
s1c2c(OCCN=C2SC)cc1C	PC-id_85717863	213.32	FVXACMRDMKXWSR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009098
s1c2SCCNC(=O)c2cc1CC	PC-id_85718149	213.32	KOJXWCRKCPELIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009099
S1CCc2c(scc2)C(=NO)CC1	PC-id_85923193	213.32	BJBIOCVTUUHFTI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009100
CCc1c[nH]c2c1CSCCCS2	PC-id_20731389,SCHEMBL13864450	213.363	AWYCYJFKOBAHCT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009101
CC1=Nn2cnnc2NC(=O)C1(C)Cl	PC-id_135697356	213.624	PULHFABDRJOZIX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009102
ClC1C(=O)N(c2n(N=C1C)cnn2)C	PC-id_12554229	213.624	YGINMDRLTGYWKK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009103
Cc1ccc2n1CC(OC(=O)C2)CCl	PC-id_89484255	213.661	DJBYPCJBPDUBCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009104
ClC[C@H]1OC(=O)Cc2n(C1)c(C)cc2	SCHEMBL14838666	213.661	DJBYPCJBPDUBCA-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009105
OC(=O)c1c(Cl)cc2n1CCCCC2	PC-id_117273053	213.661	ZIDNYCOFNOZFTB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009106
ClCC(=O)N1CCCc2c(C1)cn[nH]2	MCULE-2513537168	213.664	NOVVGDMOHSVNPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009107
O=C1CCCn2c(N1C)c(Cl)nc2C	SCHEMBL18367000	213.664	IWHGWJFGJSEWTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009108
O=C1CCCn2c(N1C)nc(c2Cl)C	SCHEMBL18366921	213.664	WZFZMSOMSUKJRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009109
Clc1oc2C(C(C)C)CCNCc2c1	PC-id_83689432	213.704	YCFKBRCDOFMCGT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009110
Clc1oc2c(C(NCCC2)C(C)C)c1	PC-id_83689433	213.704	XTNMTOVEQWBXNE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009111
Clc1n2CCCCCc2nc1CCN	PC-id_84054359	213.707	XZOQNQBALPSKLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009112
Clc1n2CCCCCc2nc1CNC	PC-id_84054357	213.707	DBICVXZBGARYAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009113
Clc1n2CCCCCc2nc1C(N)C	PC-id_84054358	213.707	AXLRWUHWSSIIIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009114
CC1=C(Cl)c2sccc2N(CC1)C	SCHEMBL19454463	213.727	SDORMYXDYZAWEC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009115
C1=CC(=C(C2=NC(=O)NC2=C1)Cl)Cl	PC-id_161231175	213.97	UYTPCXNTCIRASG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009116
C1=CSC2=C1C=NC=CNS2(=O)=O	PC-id_154262935	213.987	RWEVPKLKQWUDSK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009117
CSCC1CCCCC2=NOC(=O)N12	PC-id_147863935	214.078	HXGGFLFKIJHTDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009118
CC1=C2C=CC(=C2C=C(C=C1)C(C)O)C=O	CNP0456951,PC-id_146682598	214.099	MMOCNRWMQYLWLE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009119
Brc1[nH]c2CCCCCc2c1	PC-id_83821403	214.102	FVXFDVKFVWRZRB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009120
O=C1CN(N)C(=O)c2c(N1)nnn2P	PC-id_142250012	214.122	SVKNEKVJKWRRJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009121
Cc1nc2c(n1P)C(=O)N(CCO2)N	PC-id_142250119	214.162	RUKXCZJIGQSSGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009122
O=C1CC=C(c2c(O1)n[nH]c2C(F)F)C	PC-id_144019697	214.169	IJKXLQBQEVKYKS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009123
O1c2c(OCCC1)c(oc2CO)C(=O)O	PC-id_83668317	214.172	SBUWCVLNEMXLJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009124
[O-]C(=O)c1c2-c(cc1C(=O)[O-])ccccc2	PC-id_22342344	214.174	DKKOLTVSTUXVIV-UHFFFAOYSA-L	00000010100000000110000000000010000000000000000000000000	31-01-009125
[O-]C(=O)c1cc(c2-c1ccccc2)C(=O)[O-]	PC-id_140764257	214.174	FRYVITLFHRLVKD-UHFFFAOYSA-L	00000010100000000110000000000010000000000000000000000000	31-01-009126
COc1nn2c(c1[N+](=O)[O-])NCOCC2	SCHEMBL1075857,PC-id_136017417	214.179	VOVDPHMKLOCKLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009127
Cc1nc2c([nH]1)C=CCC=C2C(F)(F)F	PC-id_142985998	214.187	MTNYVBDPLYJKAU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009128
O=C1NCCOc2c1cc(s2)[N+](=O)[O-]	PC-id_145818524	214.199	XTHOVRAYPVEIET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009129
PCC[C@H]1CCCCc2n1c(=O)on2	PC-id_142831826	214.201	RKLCNFKLYNAEIZ-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009130
CC(=O)c1cc(c2-c1ccccc2)C(=O)O	SCHEMBL18364471	214.217	LEOJBZRQZIBFLC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009131
COC(=O)c1cc(c2-c1ccccc2)C=O	PC-id_15732044,SCHEMBL3283746	214.217	HYZVHLRYYQSQNA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009132
COC(=O)c1ccc2-c(cc1)c(cc2)C=O	PC-id_145992395	214.217	HCHATDHOBYZYLT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009133
COC(=O)C(=O)c1ccc2-c1ccccc2	PC-id_102296777	214.217	BBPCPUGIJRZHRM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009134
O=Cc1ccccc2-c1ccc2C(=O)OC	PC-id_611787,UNPD186227,CNP0149255	214.217	JGADTJRHGIFPNG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009135
c1ccc2-c(c(c(c2)C=NO)C=NO)cc1	PC-id_136349652	214.22	QYJUFQCOPNHVKJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009136
c1ccc2-c(cc(=CN=O)c2=CNO)cc1	PC-id_87882168	214.22	NRKCTRMCFCZYIL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009137
N#Cc1c(oc2c1ccccc2=O)N(C)C	PC-id_121002376	214.22	CAAABRVIRYOYTI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009138
O=Cc1c2-c(nc1NC(=O)C)ccccc2	PC-id_15141515	214.22	LRQQWPBKRVRPSK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009139
O=C(N)c1c2-c(c(c1)C(=O)N)ccccc2	PC-id_85890760	214.22	BMQYBURLSGODLL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009140
O=C(N)c1cc2-c(cc(c1)C(=O)N)ccc2	PC-id_85890765	214.22	XRAQYVQTGDAXSM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009141
O=NCc1c2-c(cc1CN=O)ccccc2	PC-id_53780790	214.22	DVCVUDGPQZSLGJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009142
O(C(=O)c1c2-c(cc1C)ccccc2)CC	PC-id_14545168	214.26	OZCSAPDNTSNYTQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009169
[O-][NH+]=Cc1cc2-c(c1C=[NH+][O-])ccccc2	SCHEMBL5711335	214.22	QIWDQZXCUQXZQK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009143
s1c(c2OCCCOc2c1C(=O)O)C	PC-id_83668252	214.238	LPXFSFXSHXTDEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009144
Cn1cc2c(c1)S(=O)(=O)NCCC2=O	PC-id_22065901,SCHEMBL5851672	214.242	GHRDZPZYXWNWHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009145
O=C1CCN(S(=O)(=O)c2c1cc[nH]2)C	PC-id_102241502	214.242	PEMMZGNIDCSDQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009146
O=C1CCN(S(=O)(=O)c2c1c[nH]c2)C	PC-id_12037820,SCHEMBL6830012	214.242	LQCLDMYQQFHLFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009147
O=C1CCNS(=O)(=O)c2c1n(C)cc2	PC-id_12094993,SCHEMBL5852657	214.242	UINTXNYKPGNNFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009148
O=C1CCN(S(=O)(=O)c2c1[nH]cc2)C	PC-id_12037819,SCHEMBL6832068	214.242	HASXAJZXJXGYCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009149
O=Cc1n[nH]c2c1CCS(=O)(=O)CC2	PC-id_105467523	214.242	JWHVFZGEFAJABM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009150
CNC1CCCCc2c1cn(c2)C(F)F	PC-id_83208562,EMOLS-id_261073519	214.255	PZFNZUTXRCSSQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009151
FC(Cn1cc2c(c1)CCCCC2N)F	PC-id_83208624,EMOLS-id_313565893	214.255	BWAHUZUHNJYZGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009152
CC(c1c2-c(ccccc2)cc1)OC(=O)C	PC-id_91022794	214.26	RMZBFRKLAUMSFN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009153
CC(c1cccc2-c(c1)c(cc2)C(=O)O)C	SCHEMBL10415503,PC-id_14515744	214.26	DTMKXNXQOLTSDE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009154
CC(C(=O)Oc1ccc2-c(cc1)ccc2)C	SCHEMBL3729383,PC-id_68764167	214.26	YDHURGNRGRTUQV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009155
CCOC(=O)c1ccc2-c1ccc(cc2)C	PC-id_102235721	214.26	FIECIELWORGDFZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009156
CCOC(=O)c1ccc(c2-c(ccc2)c1)C	PC-id_134993430	214.26	OOAQZCGFRDNHAR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009157
CCOC(=O)c1ccc(cc2-c1ccc2)C	PC-id_134982945	214.26	QXCLQNSEAIPMIA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009158
COC(=O)C(c1ccc2-c1ccccc2)C	PC-id_67599601,SCHEMBL8486754	214.26	MGJVDQPOJIJVLG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009159
COC(=O)C(c1ccc2-c(cc1)ccc2)C	SCHEMBL3729385,PC-id_68764169	214.26	QDQMBIQTZWEJMW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009160
COC(=O)CCc1ccc2-c1ccccc2	SCHEMBL8486751,PC-id_54062427	214.26	MAQYKPDHXWTOEG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009161
O(c1ccc2-c(cc1)ccc2)C(=O)CCC	PC-id_85631072	214.26	QWXORZQOMYZGEA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009162
O(c1ccc2-c(c(cc2C)C(=O)C)cc1)C	PC-id_86148578	214.26	WEJFVOLQOKAKBU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009163
O=C(c1c2-c(c(c1)CC)ccc(O)cc2)C	PC-id_86148594	214.26	URQBNCUFFLJRNF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009164
O=C(c1c2-c(cc1)ccc(O)cc2)CCC	PC-id_86148601	214.26	DLMMBARNMCNABO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009165
O(CCc1c2-c(cc1)ccccc2)C(=O)C	PC-id_588184	214.26	OQHFEANZFBAIMT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009166
O(CCc1c2-c(ccc2)cccc1)C(=O)C	PC-id_611784	214.26	XWYZBOKGSRUTAI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009167
O(CCc1ccc2-c(cc1)ccc2)C(=O)C	PC-id_593065	214.26	YANCJLLEBAFUAW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009168
O(C(=O)c1c2-c(c(CC)c1)ccccc2)C	PC-id_10036171	214.26	KPEXJFOZZXBINY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009170
O(C(=O)c1c(c(c2-c1ccccc2)C)C)C	PC-id_14615749	214.26	KFTSYJQSJDGFCD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009171
O(C(=O)c1ccc2-c(cc(c2)C)cc1)CC	PC-id_85867601	214.26	JKKXETPTCOOWTN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009172
OC(=O)Cc1c2-c(c(cc(c1)C)C)ccc2	PC-id_85770398	214.26	PNWKMRWGIKQRGT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009173
OC(=O)CCc1c2-c(cc(c2)C)cccc1	PC-id_58667483	214.26	NQPPWNQMRLWYCO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009174
C/C=CC1=C(C=C)CNC(=O)c2n1ccc2	PC-id_143717899	214.263	WIBPGYNSOZLHJT-UTCJRWHESA-N	00000000100000000111000000000010000000000000000000000000	31-01-009175
CN=Cc1cn(c2c1C=CCC=C2)C(=O)C	PC-id_143533425	214.263	NWEWGDSBAIYVSU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009176
N1CC(Nc2nc3-c(n2)ccccc3)CC1	PC-id_85672505	214.266	QYTRMUKWVQCPTM-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009177
Cc1c2c(c(s1)C)OCC(CO2)OC	SCHEMBL15946398,PC-id_90337334	214.281	BOGWVHIZHAXMRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009178
COCC1(C)COc2c(OC1)csc2	PC-id_143322850	214.281	HHYUSFZJOFDZQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009179
s1c(c2c(COC(OC2)OC)c1C)C	PC-id_20758014	214.281	PSHKOILPMNNTLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009180
CS(=O)(=O)c1n[nH]c2CCCCCc12	EMOLS-id_337903904	214.285	CAFICLSDBUNQDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009181
S1(=O)(=O)CCc2[nH]c(cc2CC1)CN	PC-id_84783491	214.285	AYHCCBGPDDPAGV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009182
CSCC[C@H]1CNc2nonc2CN1	PC-id_136921491	214.288	RDEALDRREWGFFU-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-009183
CS(=O)(=N)N1CCCc2c(C1)c[nH]n2	MCULE-5378262123	214.288	QLJSUDDTXSIHLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009184
S1CCCCn2nc(nc12)C(N)CO	PC-id_82660779	214.288	MVYWUZCTZRLBIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009185
c12c(C)coc2C/C(=C/CCC(=C)/C=C/1)/C	PC-id_14587116,CMNPD4447,UNPD65527	214.303	RUCGLEIOAIGXFL-GEMHQFTISA-N	00000000100000000110000000000010000000000000000000000000	31-01-009186
c12c(coc1CC(=C)CC/C=C(C=C/2)/C)C	CMNPD1459,UNPD9830	214.303	RYMNYQJCUJGMFN-RNNYEWFJSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009187
C
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C=C1CCC=C(C)/C=Cc2c(C1)occ2C	UNPD222079	214.303	RYMNYQJCUJGMFN-PIWWBUMESA-N	00000000100000000110000000000010000000000000000000000000	31-01-009189
CC(c1ccc(c2-c(c1)c(C)c(c2)O)C)C	PC-id_611841,SCHEMBL3836014	214.303	GYTYRDSGJDMKCK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009190
COc1cc(ccc2-c1c(C)cc2)C(C)C	PC-id_139620330	214.303	CYXHZYFOSVOMIP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009191
o1c2CC(=C)CC/C=C(C=Cc2c(c1)C)/C	PC-id_14587117	214.303	RYMNYQJCUJGMFN-AGLPEERDSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009192
o1cc(c2/C=C/C(=CCCC(=C)Cc12)/C)C	PC-id_72733152,CNP0245032	214.303	RYMNYQJCUJGMFN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009193
o1cc(c2/C=C/C(=C)CC/C=C(/C)Cc12)C	PC-id_72733151,CNP0317779	214.303	RUCGLEIOAIGXFL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009194
O(c1c2-c(ccc2CCCC)cccc1)C	PC-id_15602640	214.303	IYQUDDGPLYVWDZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009195
O(c1c2-c(cc(C(C)C)cc1)ccc2C)C	PC-id_15602643	214.303	GRZGVKKDUDBNDX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009196
Oc1c2-c(cc(C(C)C)ccc2C)c(c1)C	PC-id_14446366	214.303	GRCUHRNSSQDAMT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009197
OCc1c(c2-c(c1)c(cc(cc2C)C)C)C	PC-id_14961861	214.303	ZRIHJKYJJFQYFH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009198
OCc1c(c2-c(c1C)ccc(cc2C)C)C	PC-id_14961865	214.303	IGCINUFKZOKXIO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009199
OCc1ccc2-c1cc(ccc2C)C(C)C	PC-id_14927025,CNP0356301	214.303	JMMCSYVFNQHKDV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009200
OCCc1c2-c(cc1)cccc(C(C)C)c2	SCHEMBL9627861,PC-id_19914767	214.303	LECQKQLSTYRIFL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009201
OCCc1c2-c(cc(C(C)C)ccc2)cc1	PC-id_15020220,SCHEMBL9627854	214.303	PGTYVBNDALCWGE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009202
OCCCc1c2-c(c(cc(c1)C)C)ccc2	PC-id_14401346,SCHEMBL9697118	214.303	YHECFCJCPBYDPJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009203
CC/C=C/Cn1ccc2c1C=C(N)C=CC2	SCHEMBL19339198	214.306	MOTZYTPXSWJQKF-ONEGZZNKSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009204
CCCCCNc1cc2-c(n1)ccccc2	PC-id_101931774	214.306	UHIOJKNIUOLZRR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009205
Cc1c(sc2c1C=CCC=C2)C=CC=C	PC-id_91418200	214.326	UJXQGDZZNWPMEV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009206
C/C=Cc1c(C=C)sc2c1C=CCC=C2	PC-id_145283751	214.326	YBYVXGCZEKNABO-BAQGIRSFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009207
[N+](Cc1c2-c(cc1)ccc(cc2)C)(C)(C)C	PC-id_11142385	214.326	DYQINSKCLLQOON-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009208
[N+](Cc1c2-c(cc1)c(cccc2)C)(C)(C)C	PC-id_85915717	214.326	WIAHTCOSRYUOEO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009209
[N+](Cc1ccc2-c(cc1)cc(c2)C)(C)(C)C	PC-id_85867600	214.326	IADITAPLCHVGIB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009210
CSc1cc2c(s1)C(O)CCCC2	PC-id_144012938	214.348	XHTVEKJTSGNPSO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009211
Clc1n2CCCCCc2nc1C(=O)O	PC-id_84054541	214.649	MLRKPWQTPQRBFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009212
Clc1nc2n(CCCCC2)c1C(=O)O	PC-id_84015857	214.649	PRVIRHYECNVAHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009213
FC1=CC=c2c(=CC1)sc(c2C)Cl	PC-id_142164276	214.687	JAEUFXSGEPPWJF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009214
Clc1n2CCCCCc2nc1C(O)C	PC-id_84680703	214.692	YOQQJMXTJQZJTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009215
c1(C(=O)Cl)cc2c(CCCCC2)s1	EMOLS-id_29817771,PC-id_28776564,MCULE-6068203779	214.712	YPRCPTYRZQKXEV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009216
c1(C(=O)Cl)csc2CCCCCc12	PC-id_82341868,MCULE-7996159203	214.712	ZVQARVDNRAWZOU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009217
ClCc1c2CCCCCCc2sc1	PC-id_71670723	214.755	HIIYGSMRWDIEKO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009218
ClCc1sc2CCCCCCc2c1	PC-id_71670715	214.755	FFWIHZVFTIDDIK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009219
C1C=CC2=C(C=C1Cl)SC(=S)N2	PC-id_153375273	214.963	KVZDPQOLAGTQCC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009220
C1CC2=C(CN(C1)C(=O)O)C=C(S2)F	PC-id_162348834	215.042	JXDOEVMZQQRFTB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009221
C1CC2=C(CN(C1)C(=O)O)SC(=C2)F	PC-id_162348833	215.042	JQKDBCZMPVJEME-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009222
C1=CC=C2C=CC(=C2C=C1)OC(=O)C(=O)N	PC-id_154388270	215.058	MNRIXUCPKZIEST-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009223
Cc1nn2CS(=O)(=O)N(CCc2c1)C	PC-id_164083287	215.073	WZOMOWGTFRJDMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009224
CS(=O)(=O)N1CCCC2=C(C1)C=NN2	EMOLS-id_114738380,PC-id_164656574,MCULE-3958334902	215.073	FRRYXVXUCFJUDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009225
ClC1=Cc2[nH]c(nc2C=CC1Cl)C	PC-id_143428039	215.079	HUAIFKCZWSBVTK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009226
ClCc1nc2=CCC(=CC=c2[nH]1)Cl	PC-id_143713108	215.079	IQTSGUPUDPJZIJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009227
BrC1CCCc2occc2C1	MCULE-8802560399,EMOLS-id_276897542	215.087	PYBKGYWZFIEWOV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009228
Brc1oc2CCCCCc2c1	PC-id_84783681	215.087	KJXWIQWYZJIMDV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009229
Brc1c2CCCNCc2[nH]c1	PC-id_83679431	215.09	UACUHXDNNDWICK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009230
Brc1cc2CNCCCn2c1	MCULE-3014860304,EMOLS-id_316736383	215.09	IQNHCBREIDXNKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009231
Brc1cnc2CCCCCn12	SCHEMBL950413,MCULE-9584476493,PC-id_26967386,TIMTEC490632,EMOLS-id_11474193,ZINC22_16124759	215.09	UWZONBZFTQTRBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009232
Brc1cnn2CCCCCc12	PC-id_83821485,EMOLS-id_49835653,MCULE-4119234096	215.09	OPRWCYVUVUXVOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009233
Brc1n2c(CCNCC2)cc1	PC-id_82660843	215.09	DWIXMVBPLJTVES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009234
Brc1n2CCCNCc2cc1	PC-id_84027168	215.09	YVYVMCFPVYBXLU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009235
Brc1nc2n(CCCCC2)c1	PC-id_83681555	215.09	GKPAQLDYGFJNOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009236
Brc1[nH]c2CCCCNc2c1	PC-id_82393913	215.09	HHDJNVDCTICSBJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009237
Brc1[nH]c2c(CCCNC2)c1	PC-id_82393914	215.09	UTOZTCVVRUALJW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009238
Brc1[nH]c2c(CCNCC2)c1	PC-id_84783687	215.09	BPTMKEZOTOIHFE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009239
Brc1[nH]cc2c1CCCNC2	PC-id_96779648	215.09	ZFFQQZFFEDAJRS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009240
Brc1[nH]cc2c1CNCCC2	PC-id_96779649	215.09	XWNLZZADBWWHNU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009241
Brc1n[nH]c2c1CCCCC2	PC-id_105468247	215.09	GVPIMLLASSJJMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009242
CC(=O)C1(C=CC=C2C(=C1)C=C(N2)C=O)C	PC-id_153559389	215.095	VVFUPFPZDVTPPI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009243
C=NC(=N)n1ccc2c1CN=C[N+]#CC2N	PC-id_163643313	215.104	UBLDVVMXLFAFNC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009244
[se]1nnc2CCCCCCc12	PC-id_623638	215.154	TUSGQZDPAZUMGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009245
CCC1=CC(C=CC2=C1NC=C2)(C)C(C)C	PC-id_164591717	215.167	VQTHZPFCWITBIO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009246
O=C(C1=C(n2c(=NN=N1)c(=C=[N-])nc2)C)C	PC-id_21782893	215.191	TZRIROFRRAHHBD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009247
c1ccc2-c(c(c(c2)C(=O)O)C(=O)N)cc1	SCHEMBL15192768,PC-id_89754686	215.205	VPTZQROJVWZFML-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009248
CC(=O)c1cc(c2-c1ccccc2)[N+](=O)[O-]	PC-id_121006700	215.205	GESYNMYJHFCHDF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009249
O=C(c1cc2-c(cc([N+](=O)[O-])c1)ccc2)C	PC-id_12454513	215.205	UPFPCKXXBYWSOT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009250
O=C1NCCCc2c1n(P)c(=S)[nH]2	PC-id_142833170	215.213	PIMVMAJYLSYQCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009251
O=C1NCCCc2c1n(P)[nH]c2=S	PC-id_142833091	215.213	SIAIYWBFTZIAAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009252
FC(c1[nH]cc2c1CCC=CCC2)(F)F	PC-id_138968949	215.215	JRNKGTHEXQGZTK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009253
FOn1[nH]c2c(c1=O)C(C)CN(CC2)C	PC-id_145046758	215.225	SBRSQVIKURXZLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009254
O=Cc1nnc2CCS(=O)(=O)CCn12	EMOLS-id_277308926,MCULE-2021501316	215.23	ZSSJOCMVWPQHCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009255
FC(Cn1cc2c(c1)CCCCC2O)F	PC-id_83208817,EMOLS-id_313565637	215.24	WLXORJKIPQKHOS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009256
CC1CCc2nnn(c2C(CC1)(F)F)C	SCHEMBL18665029	215.243	ZXNPJFRUKZAMJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009257
CC1CCCCc2c(C1(F)F)n(C)nn2	SCHEMBL18272796	215.243	NPZFWLKCPABCLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009258
CC1CCCCc2c(C1(F)F)nnn2C	PC-id_118697214,SCHEMBL17481274	215.243	XQDOXNWQTQQSLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009259
CC1CCC(F)(F)c2c(CC1)n(C)nn2	PC-id_122674782,SCHEMBL18211427	215.243	CJDIYKGKWWOFCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009260
Cc1cn2CCCNC(CC(F)F)c2n1	MCULE-8399093635,EMOLS-id_208139505	215.243	PJUOWILCKHUPOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009261
CC(c1c2-c(ccccc2)cc1)(C(=O)O)N	PC-id_90906352	215.248	DPFDFOPARWMQCI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009262
CC(C(=O)O)Nc1ccc2-c1ccccc2	SCHEMBL21315704,PC-id_139451817	215.248	FBVNXVRKPZUNPZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009263
C[C@H](Nc1ccc2-c1ccccc2)C(=O)O	EMOLS-id_324279405	215.248	FBVNXVRKPZUNPZ-VIFPVBQESA-N	00000010100000000110000000000010000000000000000000000000	31-01-009264
CCN(c1c2-c(ccccc2)cc1)C(=O)O	SCHEMBL16050329,PC-id_90419471	215.248	SFXBJAVCIKQVBH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009265
CCOC(=O)c1ccc2-c(cc1)cc(c2)N	PC-id_102001512	215.248	MTHRDKJXKPPPMN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009266
COC(=O)CC1=c2[nH]ccc2=CC=CC=C1	PC-id_88643887,SCHEMBL10640999,SCHEMBL10639609	215.248	LWXZXSVLTIPBBN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009267
COC(=O)Cn1ccc2c1C=CC=CC=C2	SCHEMBL10640996,PC-id_91870083	215.248	MSQURYKAWUMRKA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009268
N[C@@H](Cc1c2-c(ccccc2)cc1)C(=O)O	PC-id_54147442,MCULE-3041525822,MCULE-6617395034	215.248	OFJOITXZODXNIG-LBPRGKRZSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009269
N[C@@H](C(=O)O)Cc1ccc2-c1ccccc2	MCULE-8756365758,PC-id_99916051	215.248	OFJOITXZODXNIG-GFCCVEGCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009270
O(C(=O)c1c2-c(cc1N)ccccc2)CC	PC-id_11458568	215.248	CTJOAWXUOKKKNM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009271
OC(=O)C(N)Cc1c2-c(cc1)ccccc2	PC-id_76107040	215.248	OFJOITXZODXNIG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009272
O=C(c1c2-c(nc(n2)NC)ccc(c1)C)C	PC-id_14948691	215.251	QUTCBNUJZFNSHO-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009273
O=C(c1c2-c(nc(n2)N(C)C)cccc1)C	PC-id_14948689	215.251	BNUFBBMZPURVBH-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009274
S1(=O)(=O)CCc2c(oc(c2)CN)CC1	PC-id_84784028	215.269	ACEFGESVSWTROY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009275
c1(cnc2CCCCCn12)S(=O)(=O)N	MCULE-6860191004,PC-id_122199028,EMOLS-id_50279338	215.273	LNIDTIRZFGHCAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009276
C1COCCn2c(SCCO1)ncn2	2010860_OpenMolecule,PC-id_139057667,CT-id_2010860	215.273	NRZKLPMANVEXBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009277
Cc1nn(c2c1NCCCS2(=O)=O)C	PC-id_83821543,EMOLS-id_114738474	215.273	QALALLJBTPTEQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009278
CCc1nnn2CCS(=O)(=O)CCc12	MCULE-8337376804,EMOLS-id_106529890	215.273	NVYOCVTUVLMFNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009279
Cn1nc2c(c1N)CCS(=O)(=O)CC2	PC-id_105468730	215.273	OBYOPIKRUBJWCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009280
Cn1nc(c2c1CCS(=O)(=O)CC2)N	PC-id_105468729	215.273	WTSKOBMZHAGNOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009281
CS(=O)(=O)c1nnc2n1CCCCC2	PC-id_43163668,EMOLS-id_37549971	215.273	FNGUXLMGIBRCEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009282
S1(=O)(=O)CCCCn2c1nc(c2)CN	PC-id_82660886	215.273	UKNFDUGKHWUMSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009283
S1(=O)(=O)CCCNc2c1nn(c2C)C	PC-id_83821542	215.273	ORIFMZNJBGPHKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009284
S(=O)(=O)(c1n2CCCNCc2cn1)C	PC-id_83679103	215.273	CBNRMHRNMYWGKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009285
S(=O)(=O)(c1[nH]c2c(n1)CCCNC2)C	PC-id_83670454	215.273	RENJOVSREXIGMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009286
CCCc1c[nH]c2c1C=C(C=CC2)C(=O)C	SCHEMBL19254371	215.291	PLAYUDMVWLOMTE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009287
C#CCCCn1cc2c(c1)CCCCC2=O	PC-id_104090472,EMOLS-id_315880228	215.291	MCNJRWJZQHYCHZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009288
CC#CCCn1cc2c(c1)CCCCC2=O	PC-id_104809183	215.291	HRRDGGNTSDLFGN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009289
CCCC(=O)c1c[nH]c2=C(C)C=CCC=c12	PC-id_142246331	215.291	XVCXBEIEMVLEBE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009290
O=C1CCCCc2c(/C=CC1=C)n(C)cc2	PC-id_118889067,SCHEMBL17525585	215.291	GTRSVGWWTYTCNX-FPLPWBNLSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009291
O(NCCC)Cc1cc2-c(c1)ccccc2	PC-id_17956351	215.291	CASVRWSHISZGGK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009292
OC(=O)c1cc2c(s1)NCCCS2	PC-id_96611482	215.293	JGTWJKILJGTOKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009293
OC(=O)c1cc2c(s1)SCCCN2	PC-id_96611483	215.293	UBCHSEUDTUQNAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009294
O=S1(=O)NCC=CCc2c1ccs2	PC-id_102495675	215.293	TUFLBBIVPIEWJF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009295
c1ccc(cc1)Nc1nc2-c(c1)ccccc2	PC-id_102340326	220.269	OGEXVGKFXCFCPO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-009787
Cc1c(c2c([nH]1)c(=NC)cccc2)CCN	PC-id_136262363	215.294	LDAUBDWSWAEVFU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009296
CN/C=Cc1c(CC)[nH]c2=CCN=CC=c12	PC-id_143295815	215.294	STKWDHSSXWORBZ-DAXSKMNVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009297
n1c2-c(ccccc2C(C)C)nc1N(C)C	PC-id_14948669	215.294	FFFFGWPYGFPFBW-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009298
n1c2-c(c(CCN)c1C)ccccc2NC	PC-id_45097428	215.294	PKVNPORHFIQMQN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009299
c1ccc2-c(c(cc2)C(=S)O[Si])cc1	PC-id_87248750	215.323	YEKSAWFCEQHXLR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009300
CC1(C)C=Cc2c(C=C1)cc([nH]2)C(C)(C)C	PC-id_142036035	215.334	MODMRGZKSISVGB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009301
CC1=CC(C)(C)C=Cc2c(C1)n(C)cc2C	PC-id_143039008	215.334	RASVRODPMLBRMK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009302
CCC(C1(C)C=Cc2c(C=C1)cc[nH]2)(C)C	PC-id_144692017	215.334	REOLJBLXVPJRSP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009303
CCC(C1(C)C=CC=c2c(=C1)cc[nH]2)CC	PC-id_144344743	215.334	CUPNQQOHWWBWIK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009304
CCC(C1=CC(C)(C)C=Cc2c1[nH]cc2)C	PC-id_142558454	215.334	INJBXIDHVCHVGM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009305
CCCc1c(CCC)[nH]c2=CCC=CC=c12	SCHEMBL20145441,PC-id_134503768	215.334	CMUNBGBWQMOFOY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009306
Cn1ccc2=CC(C=CC(C=c12)(C)C)(C)C	PC-id_142205638	215.334	VSMHQFLMOBKVTG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009307
CSC1NCCOc2c1sc(c2)C	PC-id_139776096	215.336	MJDSTEYXJZXOLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009308
S1CCN=C(SC)c2c1csc2	PC-id_85717852	215.359	RYFBXVMZFORZIR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009309
S1CCN=C(SC)c2c1scc2	PC-id_10488875	215.359	CJMCGIOYSIFFPQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009310
S1CCN=C(SC)c2sccc12	PC-id_85717855	215.359	PJRXHEUSSZFBQK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009311
Clc1oc2c(CC(NCC2)C(=O)O)c1	PC-id_83689716	215.634	XJMPKHSRLJHQBN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009312
ClCCn1nc2n(c1=O)CCCCC2	PC-id_15105336,SCHEMBL9378019,EMOLS-id_107102226	215.68	NADSSAXWDNXAHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009313
ClC1=NCCOc2sc(c(c12)C)C	PC-id_23383281	215.7	GNLVAKTWXPRDGK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009314
Clc1sc2c(c1N)CCCCCC2	EMOLS-id_96637260,PC-id_114749341	215.743	XACZUSSGQKQNPN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009315
Clc1sc2C(CN(CCc2c1)C)C	PC-id_70936921,SCHEMBL13560091	215.743	FOYBBOUJDSWXNF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009316
ClCc1sc2CCCCCCc2n1	EMOLS-id_39474585,PC-id_62923782	215.743	SSMFKOXCDMJASC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009317
NCc1c(Cl)sc2c1CCCCC2	PC-id_114748553,EMOLS-id_96637429	215.743	WAJOSPXRDZPIBR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009318
Brc1cc2CNCCCc2o1	PC-id_83679561,EMOLS-id_304207724,MCULE-1977165587	216.075	OZFQEKNJQJEZKK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009319
Brc1cc2c([nH]1)CCOCC2	PC-id_98010737	216.075	BVZKWKDPPOSPBA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009320
Brc1cc2c(o1)CCNCC2	SCHEMBL3009165,PC-id_59302567	216.075	INYQVXQDZNAANG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009321
Brc1oc2CCCCCc2n1	PC-id_83821583	216.075	GRTHNTZVRCUPKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009322
Brc1oc2c(CCCNC2)c1	PC-id_82393729	216.075	XCZRWLVZWFMFIZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009323
Brc1oc2CCCCNc2c1	PC-id_83821584	216.075	UWTXHLBLNVFGBG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009324
Brc1occ2c1CCCNC2	PC-id_82613881	216.075	GJHQJHXNHOWBDD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009325
Brc1occ2CCCNCc12	PC-id_82613882	216.075	JBLICFUAGHBWLY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009326
Brc1c2n(nc1)CCCNC2	PC-id_83886944	216.078	ZBDWOTZGQXAUOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009327
Brc1c2n(nc1)CCNCC2	PC-id_83886943	216.078	YOCXBASTXIXABH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009328
Brc1cc2n(n1)CCNCC2	PC-id_135342894,SCHEMBL20517214	216.078	GXHKTXWPOHAVRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009329
Brc1n2CCCNCc2cn1	PC-id_83679110	216.078	YVVSAUYEQIVDPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009330
Brc1n2CCNCCc2cn1	PC-id_83886932	216.078	IFEKLYBUGSIJTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009331
Brc1nn2CCCCCc2n1	PC-id_84681524	216.078	RIFPCSVTAWROSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009332
Brc1nnc2CCCCCn12	PC-id_83681505,MCULE-7448183332,EMOLS-id_49862757	216.078	XHYFKXLYHPYMOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009333
C1CCn2c(cnc2NC1)Br	PC-id_136866689	216.078	UBXRLAQYEMSOEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009334
CC(C)N=C1N(/C/2=C/C=CC=C/C=C2/O1)C	PC-id_155188772	216.126	YQQWLNQZRWRMSG-KJWXGNBDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009335
CC1C=CC2=NC(=C(N2C=C1)C)C(C)(C)C	PC-id_154957930	216.163	MTSNQYLIUCADAJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009336
CC(C)C1=CCC=CC2=C1N=C(N2)C(C)C	PC-id_165134538	216.163	ZIEXFQMETPSRLE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009337
c1([nH]c2c(CCCCC2)n1)P(=O)(O)O	MCULE-8582538661,PC-id_99988223,EMOLS-id_49837930	216.174	QUOZGLHQZDXEGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009338
CC1/C=c/[nH]cn/c2=C/COC(O1)(F)F	PC-id_145689563	216.185	JSWJHMNRZRIAHU-XJUTULCQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009339
c1cc2-c(cc(c2)C(=O)O)ccc1C(=O)O	PC-id_86082137	216.19	VHPBQPNTHKSNOR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009340
OC(=O)c1c2-c(c(c1)C(=O)O)ccccc2	PC-id_12592193,SCHEMBL17040205	216.19	FRYVITLFHRLVKD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009341
OC(=O)c1c2-c(cc1C(=O)O)ccccc2	PC-id_22342345,SCHEMBL6344561	216.19	DKKOLTVSTUXVIV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009342
OC(=O)c1cc2-c(c1)cccc(c2)C(=O)O	PC-id_68009431,SCHEMBL10012987	216.19	RPLXOOYQCLBWSX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009343
OC(=O)c1ccc2-c(cc1)ccc2C(=O)O	PC-id_102183763	216.19	AQWKFBAREYBWAC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009344
OC(=O)c1c(cccc2-c1ccc2)C(=O)O	PC-id_101590221	216.19	UYYZCAWBGDXTJL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009345
O=C(O)c1ccccc2-c1ccc2C(=O)O	UNPD102980,PC-id_85646908,CNP0235680	216.19	QJTOJIHPAGBWAT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009346
c1ccc(cc1)Oc1nc2-c(c1)ccccc2	PC-id_102583360	221.254	JPOMCOLXWPTAQE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-009935
O=C(C1=C(n2c(=NN=N1)c(=C=N)nc2)C)C	PC-id_15966014	216.199	MKRQKGSGJPNXKQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009347
O=C(C1=C(n2c(N=NN1)c(nc2)C#N)C)C	PC-id_10015177	216.199	SELPSPORWQDWGP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009348
Cc1ccc2n1CCCN=C2C(F)(F)F	PC-id_91735094	216.203	CMADDQBFZDSUQU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009349
N#CC1(C)C=CC=c2c(=C1)ccn2CP	PC-id_142911112	216.219	YCJJWZIBXSPZGM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009350
o1c2-c(cc(C(C)C)ccc2)c(c1=O)C=O	PC-id_10104736	216.233	XDCPTXKNEJIOEB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009351
o1c2-c(c(C(=O)CCC)c1=O)ccccc2	PC-id_71420588	216.233	OSXBVQJJYRUQGD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009352
o1c2-c(c(C(=O)C(C)C)c1=O)ccccc2	PC-id_71420589	216.233	VUMKPHHJOTXYAD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009353
O(c1c2-c(cc1)ccc(OC)cc2)C(=O)C	PC-id_21720788	216.233	ZLZLHOKXICUUQJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009354
O(c1cc2-c(ccc2C(=O)OC)ccc1)C	PC-id_12794367	216.233	ATVGXAFYNGUKJS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009355
OCCc1c2-c(c(c1)C(=O)O)ccccc2	PC-id_9990879	216.233	CACXXHHGFCPDMN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009356
OCCOC(=O)c1ccc2-c1ccccc2	PC-id_101223599	216.233	AEYNSGMTCHSJCD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009357
O(C(=O)c1c2-c(cc1O)ccccc2)CC	PC-id_15353721	216.233	RPIFNIFSFBJRBV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009358
O=C(O)c1ccc2-c1ccccc2COC	UNPD94436,CNP0329052,PC-id_85646903	216.233	UKGQIHIDHDFWNT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009359
O=C(OC)c1ccc2-c1ccccc2CO	CNP0228793,UNPD10569,PC-id_85822405	216.233	DEUFUBQEEUFSGW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009360
NC(C(=O)O)Cc1cnc2-c1ccccc2	PC-id_145470571	216.236	UWLNQNDZOYRJDI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009361
o1c2CC(C(=O)N(C=Cc2cc1)C)(C)C#N	PC-id_10727442	216.236	GCLZPTUBZZUTPT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009362
O(C(=O)c1c2-c(nc1N)ccccc2)CC	PC-id_13144405	216.236	NTRPSMJMUPZQSQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009363
[O-][N+](=O)c1cc2-c(c1)ccc(N(C)C)cc2	PC-id_85565019	216.236	MMFBAZQTHRQNMC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009364
[O-][N+](=O)c1ccc2-c(cc(N(C)C)c2)cc1	PC-id_85565024	216.236	MXCNCQIKXXFPJU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009365
COC1(COc2cscc2OC1)OC	PC-id_89423998,SCHEMBL14748873	216.254	GNSLUZNVPDGIGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009366
OCC1(CO)COc2c(OC1)csc2	PC-id_60127755,SCHEMBL181788	216.254	ZVPWKJJDFNEZGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009367
NCc1nnc2CCS(=O)(=O)CCn12	MCULE-3753128733,EMOLS-id_277308901	216.261	GKWXNWNNGWICSN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009368
NS(=O)(=O)N1CCCc2c(C1)c[nH]n2	MCULE-8548805480	216.261	IBAKMWJHTXCDRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009369
S1(=O)(=O)CCCCn2nc(nc12)CN	PC-id_82660973	216.261	WONGZVLTDPTQON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009370
S(=O)(=O)(c1n2CCCNCc2nn1)C	PC-id_83887116	216.261	AZCMDEHFLUACAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009371
S(=O)(=O)(c1n2CCNCCc2nn1)C	PC-id_83887115	216.261	MQWJQBJAJLDUBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009372
CC(CCc1cc2c(o1)c(=O)cccc2)C	PC-id_101994743	216.276	KHHJWUGXQFESGY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009373
FCCOc1nc2c(s1)CCNCC2	PC-id_145451807	216.276	SEFGKPUYELJOKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009374
o1c2C/C(=C/CC/C=C/C(=O)c2c(c1)C)/C	PC-id_56591308	216.276	MNPMVLQATCXUCL-YLNKAEQOSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009375
o1c2CC(=CCCC=CC(=O)c2c(c1)C)C	PC-id_76370193	216.276	MNPMVLQATCXUCL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009376
O(Cc1cc2-c(cc(c1)COC)ccc2)C	PC-id_13971562	216.276	NRCPHTHDRJFLFU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009377
OCCc1c2-c(c(c1)CCO)ccccc2	PC-id_85788620	216.276	LZZUFSNRAVBPAC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009378
C1=CC(C=C1)C#Cc1cc2-c(c1)ccccc2	PC-id_101439448	216.277	WWDCJZZTBQZDAU-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-009379
C1=CC(C=C1)C#Cc1ccc2-c(cc1)ccc2	PC-id_101439445	216.277	YDUNACPSKZIFSC-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-009380
CC1(C=Cc2c(C=C1)non2)CC1CCC1	PC-id_143207412	216.279	UXPYODOSRRMUQO-UHFFFAOYSA-N	00001000100000000111000000000010000000000000000000000000	31-01-009381
CCCC1=Cn2c(c(cn2)C(=O)C)C=CC1	PC-id_91561818	216.279	XYGGBVBQMAOMEV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009382
CCCCCc1nc2c([nH]1)ccc(=O)cc2	SCHEMBL9335268,PC-id_19102859	216.279	FFCIGZCINNEITM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009383
CC(CCn1c(=O)nc2-c1ccccc2)C	EMOLS-id_319718937	216.279	WFAIDOMKRDFWFA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009384
CCOc1cccc(=N)c2c([nH]c(c12)C)C	PC-id_135524998	216.279	HCNUJTHEADHTSP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009385
N#CCCCn1cc2c(c1)CCCCC2=O	PC-id_83207904,EMOLS-id_315762326	216.279	ZTIHNTCFXROEJD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009386
O(c1c2-c(c(nc2C)C)c(N)ccc1)CC	PC-id_4138694	216.279	GRPQHUVRWXMNHI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009387
O=c1c2n(nc(c2cc(C(C)C)cc1)C)C	PC-id_15025741	216.279	YXCBSESFLMYKGP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009388
O=c1c2nn(c(c2cc(C(C)C)cc1)C)C	PC-id_15025743	216.279	JGOOJKROTRFWTJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009389
c1ccn(Cc2ncn3c2CNCCC3)c1	EMOLS-id_50370933,ZINC22_101144992	216.282	SYUGSIVOXKLQLQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-009390
C/C=CC1=C(C=C)Nc2c(CN1)cnn2C	PC-id_143188644	216.282	GAFYEZCIDKMGQL-XQRVVYSFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009391
N(CCNc1nc2-c(n1)ccccc2)(C)C	PC-id_85672452	216.282	WJVHIYMPEMOEEA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009392
N(CCNc1nc2-c(n1)ccccc2)CC	PC-id_85672475	216.282	SCZHGNYAOYXCFW-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009393
N(CCNC)(c1nc2-c(n1)ccccc2)C	PC-id_85672458	216.282	VQAVNXQDXQOMHU-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009394
N(CCN)(CC)c1nc2-c(n1)ccccc2	PC-id_85672447	216.282	OEHUGEZXHJTWFI-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009395
CCc1cc2c(s1)C(F)(F)CCCC2	PC-id_68188149,SCHEMBL11987824	216.291	YTPVWMZWBKAHKW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009396
CCc1sc2c(c1)C(F)(F)CCCC2	SCHEMBL11987802,PC-id_68188137	216.291	JJIAIRQILKBGNM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009397
CC(c1ccc(c2-c(c1)c(C)cc2C)F)C	SCHEMBL18884945	216.294	QWMIPSVLYUTGKK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009398
CC(c1ccc(c2-c(c1)c(C)c(c2)F)C)C	PC-id_101540509	216.294	KJOYSZIJAFHRAW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009399
Fc1c2-c(cc(C(C)C)ccc2C)c(c1)C	PC-id_10932855	216.294	LMKAZPOBRSQKAT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009400
c12c(coc1CC(=C)CCC/C(=C/C2)/C)C	UNPD105202,CMNPD1275,PC-id_23424704	216.319	LERPGQQOFGFUDQ-YRNVUSSQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009401
CC1=CCc2c(CC(=CCC1)C)occ2C	CNP0118220,PD158557,ZINC22_255273251,PC-id_171597,UNPD227029,EMOLS-id_301162422,OSADHI_4761,HMDB0253643,MCULE-3948914437	216.319	VMDXHYHOJPKFEK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009402
C/C/1=C/Cc2c(C/C(=CCC1)/C)occ2C	EMOLS-id_337912265,PC-id_5317424,OSADHI_4760	216.319	VMDXHYHOJPKFEK-ADUATRDFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009403
C/C/1=CCc2c(C/C(=CCC1)/C)occ2C	OSADHI_4759,CHEBI:80824,UNPD93237,PC-id_9601230	216.319	VMDXHYHOJPKFEK-RZWYOFBOSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009404
C/C/1=CCc2c(C/C(=C/CC1)/C)occ2C	PC-id_636458,CHEMBL324514,UNPD90417,CMNPD1274,HMDB0036769,OSADHI_4758,NP_29908,NP_26363,SPECS-id_AT-358/LC02356	216.319	VMDXHYHOJPKFEK-IAVOFVOCSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009405
C/C/1=C/Cc2c(C/C(=C/CC1)/C)occ2C	PC-id_99117375,UNPD80077	216.319	VMDXHYHOJPKFEK-HZAVHUKASA-N	00000000100000000110000000000010000000000000000000000000	31-01-009406
CC1CC=CC=C(c2c1cco2)C(C)(C)C	PC-id_144918202	216.319	BXFVDNRIFMBWQL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009407
C/C/1=C/C/C=C(C)/Cc2c(CC1)c(C)co2	UNPD125089	216.319	LLMABWLTETUQQS-JTAXDKCCSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009408
Cc1oc2c(c1)C(=CCC(=C2C(C)C)C)C	PC-id_117639857,SCHEMBL16160054	216.319	ZGJGRVGRIBDAHG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009409
C[C@@H]1CC/C=C(C)/Cc2c(/C=C/1)c(C)co2	UNPD177594	216.319	NLHPQWPJVWJJPS-YIDAHTIISA-N	00000000100000000110000000000010000000000000000000000000	31-01-009410
o1c2CCCCC=C=CCCCCc1cc2	PC-id_25105367	216.319	GTNDENZCIMFZNT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009411
o1cc(c2c1C/C(=CC/C=C(/C)CC2)/C)C	CNP0173431	216.319	LLMABWLTETUQQS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009412
o1cc(c2c1CC(=C)CCC/C(=C/C2)/C)C	PC-id_74051237,CNP0405575	216.319	LERPGQQOFGFUDQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009413
o1cc(c2/C=C/C(C)CC/C=C(/C)Cc12)C	CNP0154311	216.319	NLHPQWPJVWJJPS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009414
s1c2C(O)COCCSCc2cc1	PC-id_10560693	216.32	IVKSAKGUBYZNGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009415
S1Cc2sccc2C(O)COCC1	PC-id_10536709	216.32	JADYRZUWRHQUSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009416
CC1(CNCCn2c1ccc2)/C=C/C1CC1	PC-id_122380922	216.322	TUONNCHVRPWDER-VOTSOKGWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-009417
CC(CCC1=Cc2cnn(c2C=CC1)C)C	PC-id_143344523	216.322	FWSVFDRQNQMVFP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009418
CCn1ccc2c1C(=C)NCC=C2C(C)C	PC-id_141835853	216.322	ZZJOLHBCQUIFQJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009419
CN(Cc1c[nH]c2=CC=CCCC(=c12)C)C	PC-id_142258464	216.322	QSLCGSJXZFAULF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009420
CC(Cc1ccc2-c1cc(S)ccc2)C	PC-id_17776075,SCHEMBL8335585	216.342	KEMJLRHSNMRLNP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009421
C/C=CC1=C(C)CCc2c(C1=C)ccs2	PC-id_142906706	216.342	PETICDHRGMQQED-PLNGDYQASA-N	00000000100000000110000000000010000000000000000000000000	31-01-009422
C/C=CC1=C(C=C)CCc2c(C1)ccs2	PC-id_142139424	216.342	AXAGJZZEIHKMRN-HYXAFXHYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009423
CCC=Cc1c(c2c(s1)CC=CC=C2)C	PC-id_91250244	216.342	SKTZBKVIXCMIAN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009424
CCCCc1ccc2-c1cc(S)ccc2	PC-id_17776161,SCHEMBL8332541	216.342	PTHYPGFCMPVFMJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009425
C1CCCc2c(CC1)sc(=S)s2	PC-id_134848230	216.387	NRSKMADPOJJPNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009426
CC1(C)CSc2c(SC1)csc2	PC-id_143776867	216.387	QHTIHUWYRBEAEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009427
Cc1sc(c2c1SCCCS2)C	SCHEMBL18932303	216.387	JWDYJTFQRNHXIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009428
s1sc2c(c1=S)CCCCCC2	PC-id_9834380,CHEMBL1173270	216.387	KAQBHCWMTKLONY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009429
c1(C(=O)O)nn2c(OCCCC2)c1Cl	ZINC22_218297008,MCULE-2882755552,PC-id_100010780,EMOLS-id_50383198	216.622	NTHFBTULSKSQFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009430
ClC(=O)C1CCCCc2n1c(=O)on2	PC-id_22901385,SCHEMBL6803501	216.622	USIGTDRAFLMBHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009431
Clc1sc2CC(=O)NC(=O)Nc2c1	PC-id_16639211	216.645	OFYJJWWDBQMOPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009432
ClC1CN(C)C(=O)c2c(N1)ccs2	SCHEMBL9371717,PC-id_21289985	216.688	CCAUVSGBQNJQGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009433
Clc1sc2c(n1)CCCN(C2=O)C	PC-id_58168664,SCHEMBL2074118	216.688	HNRTUFYHUMQKAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009434
NC1CCc2c(N(C1)C)cc(s2)Cl	SCHEMBL19228586	216.731	RLVOXXKOVZYBAS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009435
C1=CC=C2C(=NC(=C2C(=O)O)C(=O)O)C=C1	PC-id_153812806	217.038	SCTPHNZIFJJRFA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009436
C1CCOC2=C(C=NN2C1)S(=O)(=O)N	PC-id_148706713,EMOLS-id_324139316	217.052	NWKPTORVVVUYPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009437
Brc1oc2c(CCOCC2)c1	PC-id_84785020	217.06	SKVWQZHEKFRYGG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009438
Brc1occ2c1CCOCC2	PC-id_82393562	217.06	IYSWBYBWAVEAKK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009439
Brc1cnn2CCCCOc12	EMOLS-id_324139572,PC-id_84041501	217.063	XMXOCSGQQNMPLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009440
Brc1cnn2CCCOCc12	EMOLS-id_324309092	217.063	SQFPJGYFDXURKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009441
Brc1cnn2CCOCCc12	EMOLS-id_324312419	217.063	KLYHCOPTXZEIAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009442
Brc1n[nH]c2CCOCCc12	MCULE-5121282284,EMOLS-id_320449308,SCHEMBL20541222,PC-id_105470555	217.063	NOMNENYZSTUTTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009443
Brc1n2CCCNCc2nn1	PC-id_72212993	217.066	ZTOPKKFPJUDPCT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009444
Brc1nn2CCCNCc2n1	PC-id_72213347	217.066	JMUFDOPMLPKCDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009445
Brc1nnc2CCNCCn12	EMOLS-id_303907680,ZINC22_237979571,MCULE-5161482981	217.066	IWPPXUSYIQUQQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009446
Brc1ccc2-c(nc(n2)N)cc1	PC-id_614064	224.057	WSCAMOBZKFDDGP-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-010627
Brc1nnn2c1CNCCC2	PC-id_105470575	217.066	DURMNMRXLVCEPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009447
CCOC(=O)N1C=CC2=C1C(=O)C=CC=C2	PC-id_154233485	217.074	HWUJJHFKBVQMSG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009448
CCC(=O)C1=CCC(C(=O)C2=C1C=CN2)C	PC-id_164125411	217.11	YJEFYPVXMIDOJA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009449
[se]1nnc2c1CCCCOC2	PC-id_14594286	217.127	HOUJGUKVRDYNNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009450
[se]1nnc2CCCCCOc12	PC-id_639124	217.127	OJYGPAUBHPXADT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009451
OC(=O)c1cc(c2-c1ccccc2)[N+](=O)[O-]	PC-id_121217503	217.178	MTTPVZREVPQDDI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009452
O=C1NCCOc2c1n(P)c(=S)[nH]2	PC-id_142832887	217.185	DBPSIUZCYNVTAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009453
C1CCc2c(C(C(C1)N)(F)F)nnn2N	SCHEMBL20349687,PC-id_135196440	217.219	MDQOYHQWGHLJTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009454
CCOC(=O)c1c(=O)[nH]c2-c1ccccc2	SCHEMBL11277059,PC-id_10353288	217.221	PJOLVSCMENMWFF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009455
COc1ccccc2-c1c(C(=O)C)c(=O)[nH]2	PC-id_121013831	217.221	ZIPLSQUWAQWOFC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009456
O=c1n(c2-c(c1C(=O)OC)ccccc2)C	PC-id_11127701	217.221	SLGSLBBFWOUNAZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009457
CNc1nc(=O)ccc2c1c(N=C)n(n2)C	PC-id_143737147	217.227	RMMFHLGIAXEFOF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009458
O=C1c2n(CCCC#N)cnc2NC=NC1	PC-id_10536742	217.227	GFXZTPVHPQLWCN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009459
O=C1c2ncn(CCCC#N)c2NC=NC1	PC-id_10798812	217.227	VARFIQGFFCDWIX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009460
Cn1cc(c2c1CCCCC2)C(F)(F)F	PC-id_145770030	217.231	VHRYDLBHNCDEGQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009461
FSC1CCNc2c(C1=C)cn(n2)F	PC-id_144315329	217.239	RCAIZDVBTPNHBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009462
OCc1nnc2CCS(=O)(=O)CCn12	EMOLS-id_277308851,MCULE-2651172425	217.246	ONRYKLGOGYVPPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009463
c12ccc(=O)ccc1c(n(CCO)c2C)C	PC-id_100029135,ZINC22_218891916,MCULE-1861011699,EMOLS-id_50607591	217.264	VTLSBVNBGNGSAQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009464
c12c(OCC)cccc(=O)c1c([nH]c2C)C	BindingDB-id_746346,CK1528670,CoCoCo_113619,CNP0396603,EMOLS-id_1258114,SCHEMBL14907785,BindingDB_PC-id_794664,MCULE-6188264930,PC-id_794664,STOCK1N-15596,ZINC22_297696,TOSLab_8764	217.264	CPWPSLFCBWJPTL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009465
CCC1=CC=c2c(=C(C1)C)cc([nH]2)C(=O)O	PC-id_144048425	217.264	BLQMFKQNPALUMH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009466
CCC1=C(C)C=c2c(=CC1)cc([nH]2)C(=O)O	PC-id_144048411	217.264	XMMOIXFOGIXXNG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009467
CCn1c(cc2=CC(C=CC=c12)C)C(=O)O	PC-id_143113601	217.264	WGYFKQYAEHCOOI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009468
CCOC(c1[nH]c2=CC=CC=CC=c2c1)O	SCHEMBL21310069,PC-id_139447028	217.264	OSENPGKTZRYAHJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009469
COC1=c2n(CC)cc(c2=CCC=C1)C=O	PC-id_143503221	217.264	GAZKPIVZTAMPMP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009470
COc1cccc(=O)c2c1c(C)n(c2C)C	EMOLS-id_1448851,CoCoCo_316882,MCULE-7114478463,CHEMBL1531305,EMOLS-id_33579595,PC-id_804120,CK3087326,ZINC22_312641,CNP0142776,BAS-04358851,ChEMBL-DNDi_CHEMBL1531305,STOCK1N-32701	217.264	NNDJOLZOKXFLEA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009471
o1c(c2c(c1C)c(=N)cccc2OCC)C	PC-id_49965563	217.264	KOXDKFXLEAQTTP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009472
OC(=O)CCc1cn(c2c1C=CCC=C2)C	SCHEMBL18458074	217.264	FUDNAEBDDJEJML-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009473
OC(=O)C[C@H](c1c[nH]c2c1C=CCC=C2)C	PC-id_142898450	217.264	FUWCHCQLOOEQBO-SECBINFHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009474
c1(NC(=O)C)[nH]c2c(CCCCC2)c1C#N	MCULE-9613222345,PC-id_670431,ZINC22_31234,EMOLS-id_2742956,CoCoCo_6700544	217.267	SMOMDJYDGQVOKB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009475
CC/C=C
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CCOc1nc2-c(n1)ccc(cc2)N(C)C	PC-id_121014711	217.267	BRTJUUWJROYGFA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009477
CCOc1nc2-c(n1)c(cccc2)N(C)C	PC-id_121014712	217.267	JINJZSWRMSVGDN-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009478
CN(C)CCn1c2-c(ccccc2)nc1=O	EMOLS-id_337841552,PC-id_192732	217.267	QHXNPDVYJSMEJJ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009479
O=c1c2n(nc(c2cccc1)CN(C)C)C	PC-id_10376052	217.267	JZRWNOFCWQWCQC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009480
c1ccn(Cc2nnc3n2CCCNC3)c1	ZINC22_306141819,EMOLS-id_50370815	217.27	WHFRAQZSZYONRG-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-009481
c1ccn(Cc2nnc3n2CCNCC3)c1	ZINC22_306125768,EMOLS-id_50370032	217.27	DBVSWUHIMNNZHY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-009482
c1cn(Cc2ncn3c2CNCCC3)cn1	ZINC22_96259475,PC-id_97519558,EMOLS-id_44370502	217.27	MGMDIRSNPBLHBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009483
c1cnn(Cc2cnc3n2CCNCC3)c1	EMOLS-id_50370346,ZINC22_101146256	217.27	QWDUCBKPNUDVFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009484
c1cnn(Cc2ncn3c2CNCCC3)c1	ZINC22_101186216,EMOLS-id_50370418	217.27	QMGFSNGRPDOTBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009485
c1cnn(C[C@@H]2CNCc3nccn3C2)c1	ZINC22_107488304	217.27	KJAYCFITAZBBBD-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009486
c1cnn(C[C@H]2CNCc3nccn3C2)c1	ZINC22_107488307	217.27	KJAYCFITAZBBBD-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-009487
C(C1CNCc2nccn2C1)n1cccn1	EMOLS-id_50370925	217.27	KJAYCFITAZBBBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009488
[nH]1nc(c2CCCCCc12)Cn1cnnc1	PC-id_50966058	217.27	GXOSYHHYCNEHDH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009489
s1c2C(CCNCc2cc1)CC(F)F	PC-id_71306091	217.279	CUPHKFAMZRWXSH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009490
C=CCc1c[nH]c2=CCC(=C(C=c12)F)CC	PC-id_145640922	217.282	MICFIEWCHOOAFK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009491
C=C1NC=N/C=C/c2c(/C=C/1C)scn2	PC-id_141830474	217.29	UQYZBBTYXDTZCM-SALQQRKASA-N	00000000100000000111000000000010000000000000000000000000	31-01-009492
C#CCCCn1cc2c(c1)CCCCC2O	EMOLS-id_315881508,PC-id_104090488	217.307	YGGJOSGVHYXZDJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009493
CC#CCCn1cc2c(c1)CCCCC2O	PC-id_104809220	217.307	ZKEQTGILHGZNJC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009494
CC(=C)CCn1cc2c(c1)CCCCC2=O	PC-id_114473442	217.307	PMZUDXGVWCJJRU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009495
C=CCCCn1cc2c(c1)CCCCC2=O	PC-id_83207387,EMOLS-id_315764373	217.307	XJBAWIAYRFPSDY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009496
CCC(=C)Cn1cc2c(c1)CCCCC2=O	PC-id_83207492,EMOLS-id_315764629	217.307	POKPWPUCLFTFAG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009497
CC(=CCn1cc2c(c1)CCCCC2=O)C	EMOLS-id_315762835,PC-id_83205867	217.307	LHXNBVFLUGLTJD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009498
CCC1=NC=Nn2c(C1)c(C)c(c2)C(C)C	PC-id_142854505	217.31	HETPTDZZTROBIN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009499
C/C=CC=C(C1NCCCn2c1ccn2)/C	PC-id_143686435	217.31	IGAZFZHYDJTYHD-KXLXTGLCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009500
CCNC1CCCCc2c1cn(c2)CC#N	EMOLS-id_314405311,PC-id_83212830	217.31	YFCQWWIPGVABCU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009501
n1(cc2C(N)CCCCc2c1)CCCC#N	PC-id_83208690,EMOLS-id_315761305	217.31	UYFQJGJLFMJEQC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009502
c12ccc(=S)ccc1c(n(CC)c2C)C	MCULE-9895976458,ZINC22_218891617,EMOLS-id_50607585,PC-id_100029125	217.33	BJWQIDQSLFJXOI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009503
C/C=C/c1nc2=CC=CC(C=c2s1)(C)C	PC-id_145436630	217.33	BQAATXGPYMXQAF-GQCTYLIASA-N	00000000100000000111000000000010000000000000000000000000	31-01-009504
CSc1ccc2-c1ccc(cc2)N(C)C	PC-id_102220170	217.33	QTHZQQIDMWZRSV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009505
[Si](n1c2-c(cc1=O)ccccc2)(C)(C)C	PC-id_86112730	217.339	IMNWNSHGXSHJCS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009506
CC1CC(=C(c2c(ccn2C1)C(C)C)C)C	PC-id_91382140	217.35	AIVZFGRGBFYTRB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009507
C=CCn1c2ccc1CCCCCCCC2	PC-id_134982884	217.35	APOXQPLYSWWYLW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009508
C[Si](C[n+]1cnc2-c1ccccc2)(C)C	PC-id_102149972	217.362	XONVBMCRZXUPNB-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009509
CSC1NCCSc2c1csc2	PC-id_139776063	217.375	QZYSMNPUZAONLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009510
CSC1NCCSc2c1scc2	PC-id_139776080	217.375	VMYMUNOBSZXGKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009511
Clc1sc2c(CCNCC2)c1OC	PC-id_59302542,SCHEMBL2995797	217.716	OWOXBMCFBQQEKP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009512
Clc1sc2c(C(O)CCN(C2)C)c1	SCHEMBL2838576,PC-id_68410743	217.716	UUYRVWMGYUQNGC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009513
Clc1sc2c(C(OC)CNCC2)c1	PC-id_11708337,SCHEMBL3004645	217.716	SRIKOUZCKBDPFF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009514
ClCSc1nnc2n1CCCCC2	EMOLS-id_96090092,PC-id_104606844	217.719	FZPQPGFGCKNXKQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009515
Clc1sc2CCCNC(=S)c2c1	PC-id_85717681	217.739	DRQJECNNHWAATQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009516
C1=CN=CC(=C2C1=CC(=N2)C(=O)O)C(=O)O	PC-id_161084983	218.033	UGJRJYVZKNZKRC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009517
Brc1n2c(CCOCC2)nn1	PC-id_84683356,EMOLS-id_227564801,MCULE-8932856738	218.051	WLNSMVZKTJRJBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009518
Brc1n2CCCOCc2nn1	PC-id_84683357	218.051	AQGASGBWJZXFRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009519
CC1=C2C(=CC(=CCC1)[N+](=O)[O-])C=CN2C	PC-id_164999226	218.106	HZNVIBQTPJWQPF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009520
C1=CC=C(C=C1)CC2=CC=CC=C3C2=CC=C3	PC-id_165359308	218.11	MZQOHBSRGCLJOP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-009521
CN1C=CC2=C1C(=O)C(=CN(C)C)CCC2	PC-id_154499323	218.142	IRYIVXPVGLXRPG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009522
[O-][N+](=O)c1c2-c(c([N+](=O)[O-])c1)ccccc2	PC-id_85737454	218.166	UPNYGAWICCLLRE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009523
c1(C(F)(F)F)nn(c2OCCC=Cc12)C	MCULE-2775550264,EMOLS-id_320454417	218.176	AZKNEUGZGRXLQW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009524
CC(=O)Oc1c(C)cccc2-c1oc(=O)c2	PC-id_121012024	218.205	BSXVIACVVBMIST-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009525
COCC(=O)c1c(=O)oc2-c1ccccc2	PC-id_139790786	218.205	MUYFFOTWIUFZHO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009526
o1c2c(c(c1C)C(=O)C)cc(=O)c(O)cc2	PC-id_13011748	218.205	RKVXJZNFRUXEBN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009527
o1c2-c(c(c1=O)C(=O)C)ccccc2OC	PC-id_14972959	218.205	CIAFGDINQLNVQF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009528
o1c2-c(c(c1=O)C(=O)OCC)ccccc2	PC-id_589812	218.205	JULPYSSLWYDUIT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009529
O=NCCC1=Cn2ncc(c2N=CC1)C=O	PC-id_144446433	218.212	MMSXLIWEESCJLB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009530
[O-][N+](=O)c1ccc2-c(nc(n2)N(C)C)cc1	PC-id_86205141	218.212	GLFJYLNVMJFFJV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009531
Cn1c2c(CCCCC2)c(n1)C(F)(F)F	PC-id_90167947,SCHEMBL15730538	218.219	RFCQUARSEOAFTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009532
Cn1cnc2CCC(CCc12)C(F)(F)F	MCULE-7102249847,EMOLS-id_207822210	218.219	GHOGSUNTLIWKID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009533
FC(F)(F)c1n[nH]c2CCCCCCc12	PC-id_42647092	218.219	LCUFGFNPQDOVOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009534
Fc1c2-c(c(c1C)C(=O)OC)ccccc2	PC-id_15257564	218.224	MVEWXLGHLNGKTA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009535
c12c(OCC)cccc(=O)c1c(oc2C)C	CHEMBL1519796,CoCoCo_89064,CK1935272,STOCK2S-30373,ChEMBL-DNDi_CHEMBL5469812,ZINC22_313119,BAS-00888263,MCULE-6569816023,PC-id_539959,EMOLS-id_1237873	218.248	JGARVUDPDZXBGL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009536
o1c2c(c(c1C)C(=O)OCC)C=CCC=C2	PC-id_21728717	218.248	CPJOWWKCWDWPSW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009537
o1c2-c(cc(C(C)C)ccc2)c(c1=O)CO	PC-id_11820671	218.248	SICOVLYVUZTXGX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009538
FS(=O)(=O)c1cnc2CCCCCn12	EMOLS-id_208135350,MCULE-7600050005	218.249	PQSHZKYSARRLTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009539
C1C=c2c(=CC=C1O)[nH]cc2CCNC=O	SCHEMBL20648061,PC-id_137414389	218.252	UNFNCTCBAKOYEU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009540
CCOc1ccc2-c(cc1)nc(n2)OCC	PC-id_121008018	218.252	ZKFUTFRVXMQLQY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009541
CCOCCn1c(=O)nc2-c1ccccc2	EMOLS-id_319167644	218.252	QIIKYXWVHZSOIP-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009542
CCOC(=O)c1cc2=CCC(=NC=c2[nH]1)C	PC-id_142971397	218.252	JWOZBKJQJUHSRN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009543
CCOC(=O)c1n[nH]c2c1C=CC(C=C2)C	PC-id_144006896	218.252	ZLVZPJMXFPCFAH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009544
COCCCn1c(=O)nc2-c1ccccc2	EMOLS-id_319799791	218.252	HZZOTWABELTTTG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009545
COC(Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_317016609,MCULE-1485853279	218.252	RKPHSFIWFARPCL-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009546
CO[C@H](C)Cn1c2-c(ccccc2)nc1=O	ZINC22_1615552150	218.252	RKPHSFIWFARPCL-SECBINFHSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009547
CO[C@@H](C)Cn1c2-c(ccccc2)nc1=O	ZINC22_1615552159	218.252	RKPHSFIWFARPCL-VIFPVBQESA-N	00000010100000000111000000000010000000000000000000000000	31-01-009548
NC(C(=O)O)Cc1c[nH]c2c1CC=CC=C2	PC-id_143525290	218.252	BZRYMXUJSGJKRW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009549
c1cc(CN2CCc3nncn3CC2)co1	ZINC22_200485325,EMOLS-id_232703275,MCULE-9022627619,PC-id_56852120	218.255	GDSLICKDPWXQTD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-009550
c1coc(c1)CN1CCn2c(CC1)nnc2	CoCoCo_1118815,CoCoCo_1118814	218.255	YDOGLIJJAYYSRZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-009551
CC1=CC=c2c(=CC1)nc([nH]2)NC(=O)NC	PC-id_90816828	218.255	SRAYVFQUBWODDJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009552
CC(=C(c1n2c(CCCCC2)nn1)C#N)O	MCULE-4575510840,EMOLS-id_44489487	218.255	PRXUHHPZFCLMQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009553
C/C(=C(/C#N)c1nnc2CCCCCn12)/O	CoCoCo_2593230,EMOLS-id_45797322,PC-id_135675992	218.255	PRXUHHPZFCLMQM-CMDGGOBGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009554
CC(=O)[C@@H](C#N)c1nnc2n1CCCCC2	CoCoCo_2593233,ZINC22_15987000	218.255	ZYQLUAQZRVDRQV-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009555
CC(=O)[C@H](C#N)c1nnc2n1CCCCC2	ZINC22_15987001,PC-id_51553755,CoCoCo_2593232	218.255	ZYQLUAQZRVDRQV-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-009556
N#C/C(=C(/O)C)/c1nnc2n1CCCCC2	CoCoCo_2593231,ChEMBL-DNDi_CHEMBL1376050,CHEMBL1376050	218.255	PRXUHHPZFCLMQM-HJWRWDBZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009557
N#CCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320029293,MCULE-4154485230	218.255	XROUGZHWFZVUOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009558
O=c1c2n(nc(c2cccc1)CN(N)C)C	PC-id_21782760	218.255	KTMDNKPPMAHSGM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009559
O=C(C(c1n2CCCCCc2nn1)C#N)C	PC-id_7064232	218.255	ZYQLUAQZRVDRQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009560
C1CCn2c(CC1)nnc2Cn1ccnn1	EMOLS-id_100799954,MCULE-1274076643	218.258	KTRWLTDUVNIRFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009561
C1CCn2c(CC1)nnc2Cn1ncnc1	EMOLS-id_100806656	218.258	XYHNCJJNXKIXGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009562
c1cn(Cc2nnn3c2CNCCC3)cn1	EMOLS-id_50369523,ZINC22_306127985	218.258	GNAXOOMLRLEGCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009563
c1cnn(Cc2nnc3n2CCCNC3)c1	EMOLS-id_50370901,ZINC22_101144699	218.258	LSODUTLDLAVBLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009564
c1cnn(Cc2nnc3n2CCNCC3)c1	ZINC22_306142066,EMOLS-id_50370833	218.258	WOLZEUIMHDIVGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009565
c1cnn(Cc2nnn3c2CNCCC3)c1	PC-id_97519702,ZINC22_96259620,EMOLS-id_44370788	218.258	PQEYGFSEJGMPQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009566
[N-]=[N+]=NC1=CN(C)c2n(CC1)nc(c2C)C	PC-id_145225435	218.258	ZLIDTMXXYQATJS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009567
COc1cccc(O)c2-c1c([n+](c2C)C)C	ZINC22_17163272,PC-id_27552272,GD-id_ZINC17163272	218.272	NNDJOLZOKXFLEA-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-009568
S(=O)(=O)(c1c2-c(cc1)ccccc2)C=C	PC-id_85916713	218.272	FCFVGGYWCFGFRI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009569
CC(=O)CSc1nc2-c(n1)ccccc2	PC-id_121221365	218.275	MIYSGRUFLARMSU-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-009570
O=C=Nc1sc2c(c1C#N)CCCCC2	PC-id_20186683,SCHEMBL10711930	218.275	AOEZPNUVALUTGU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009571
CC1CCC=C(Cc2c(CC1=O)cco2)C	PC-id_91746706	218.292	PXPRMUBMIABVNL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009572
CC1CC/C=C/Cc2c(C(=O)C1)c(C)co2	SCHEMBL12978354,PC-id_59875656	218.292	OUKUFNBCECBRES-HWKANZROSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009573
o1c2c(C(=O)CC(CCC=CC2)C)c(c1)C	PC-id_71362325	218.292	OUKUFNBCECBRES-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009574
O=C1CCCCCCc2cc(/C(=C
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c1(Cc2ccccc2)c2-c(cc1)ccccc2	PC-id_10911024	218.293	PJSGODDUASAWIF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-009576
c1(Cc2ccccc2)cc2-c(c1)ccccc2	PC-id_22634770	218.293	PEUSJKBVIPGAFJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-009577
CC1(N)C=Cc2c(C=C1)nc(o2)C(C)(C)C	PC-id_145076273	218.295	LICKLOZFPYIGBP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009578
Cc1n[nH]c2=CC=CCC(=c12)OCC(C)C	PC-id_91048941	218.295	PQRKGAOOGFXRNN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009579
CCC(C1(C)C=CC=c2c(=C1)[nH]c(=O)[nH]2)C	PC-id_142064673	218.295	RDQLBXHFXRQGBU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009580
CCC(C)OC1=c2c(n[nH]c2=CC=CC1)C	PC-id_91317543	218.295	QQMCKNFGOMXAQJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009581
N#CCCCn1cc2c(c1)CCCCC2O	EMOLS-id_315762077,PC-id_83209165	218.295	VXMYMJSSABEFFQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009582
O=C1CCCCc2c1cnn2C(C1CC1)C	PC-id_107384222	218.295	YCTJUQBQWVJYTJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-009583
O=C=Nc1n(c2CCCCCc2c1)C(C)C	PC-id_83917422	218.295	CFOMBYWJNYNDCO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009584
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C/C=C(C=C
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CCC(C)c1nnc2n1C(=C)C(=C)CNC2	PC-id_91182544	218.298	YIDWPMZERDPFQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009587
CCC(C)N1CCCn2c(cc(n2)C#N)C1	SCHEMBL19941844,PC-id_134320202	218.298	WGFKFZVGDAJVFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009588
C#CCNC(c1nnc2n1CCCCC2)C	EMOLS-id_40150730,PC-id_63951888	218.298	JGZIAWUNOWLVGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009589
CNC1CCCCc2c1cnn2CCC#N	PC-id_107384339	218.298	GNEULYMKUAGWGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009590
n12nc(C(C)(C)C)cc1N=C(CC(=N2)C)C	PC-id_11183570	218.298	PAQVZSCOLRRARM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009591
N#CCCCN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318946455	218.298	DSKBIWLTMVNAQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009592
C#CCC(=O)c1cc2c(s1)CCCCC2	PC-id_114962008,EMOLS-id_266445010	218.315	KIZJCMADRPPHNB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009593
s1c2c(cc(C(C)C)ccc2=O)cc1C	PC-id_15914508	218.315	LPZKWQQBVSFPIL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009594
s1c2c(ccc(C(C)C)cc2=O)cc1C	PC-id_15914509	218.315	SQUXZOPEUUSPBM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009595
s1c(c2c(c1C)cc(c(=O)c(c2)C)C)C	PC-id_13067840	218.315	BMRAWDFNHIVQSI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009596
S(c1c2-c(c(CCO)c1)ccccc2)C	PC-id_85784462	218.315	RQDDCNUTNPHZFO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009597
CC1(C=CC=c2c(=C1)sc(n2)/C=C/N)C	SCHEMBL19863182,PC-id_134252694	218.318	RXIYDUFHSPHSLZ-FNORWQNLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009598
Cc1nc2c(s1)CCN/C(=C/C=C)/C2=C	PC-id_143188891	218.318	MITHNDHKQOUMAP-BJMVGYQFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009599
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C=Cn1c(=S)[nH]c2c1C=CC(C=C2)(C)C	PC-id_144782382	218.318	PGFMERRWHIXPIJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009601
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C[C@H]1CC/C=C(C)/Cc2c(CC1)c(C)co2	UNPD108399	218.335	ZTKVJHVJKDVVES-DREKTBMASA-N	00000000100000000110000000000010000000000000000000000000	31-01-009603
o1cc(c2c1C/C(=CCCC(C)CC2)/C)C	CNP0235138	218.335	ZTKVJHVJKDVVES-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009604
CC(C1=C(C)CCC(c2n1cnc2)(C)C)C	SCHEMBL20803392,PC-id_138459212	218.338	USRAJJCDMZHUHZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009605
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NC1(CCc2cc3n(c2)CCCCC3)CC1	PC-id_105473361	218.338	ZWWAQKJJIUTFQI-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-009608
[SiH3]OC(=S)c1ccc2-c1ccccc2	SCHEMBL1478548	218.347	JEZDMXXWQQWUSY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009609
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C1Cc2c(CSC1)c(n[nH]2)SS	SCHEMBL20695995,PC-id_137456586	218.363	TYNHZLZIIZBHHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009612
ClC(C(=O)c1c2-c(cc1)ccccc2)C	PC-id_45081178	218.679	GUBSHVZBENRGMH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009613
Clc1sc2c(CNNCC2)c1OC	PC-id_69486718,SCHEMBL5557315	218.704	PYVKKTLOKBQVNF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009614
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CCCCC1CCCCCCc2cc1c[nH]2	PC-id_11009477,SCHEMBL3874221	219.366	MWNUYJYLSHPECH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009720
CCCC[C@H]1CCCCCCc2cc1c[nH]2	PC-id_134964920	219.366	MWNUYJYLSHPECH-ZDUSSCGKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009721
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[nH]1c2c(C(CCCCCC2)CCCC)cc1	PC-id_72704083	219.366	KIKAVVUDUUXUIK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009723
[nH]1c2CCCCCCCCC(c(c2)c1)CC	PC-id_11096121	219.366	TYLZWBLMUCADIX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009724
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[nH]1c2CCCCCC[C@@H](CCCC)c(c2)c1	PC-id_53243674	219.366	MWNUYJYLSHPECH-CYBMUJFWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009726
CC(=O)Nc1cc(c2-c1ccccc2)Cl	PC-id_102146383	219.667	FCEHFJRKMRQHAD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009727
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c1(Cc2[nH]nnn2)nnc2CCNCCn12	EMOLS-id_337650647,ZINC22_2100539704,MCULE-7459255973	220.234	VCBRXGIIYDAOFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009770
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c1(C(=O)NC2CC2)c2CCCCCc2on1	TIMTEC177931,GD-id_ZINC20160669,MCULE-5363354619,ZINC22_20160669,PC-id_17254374,EMOLS-id_21980677	220.268	GSGKIKAVHCGLJO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-009774
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CCOC(=O)c1nn2c(c1)C(=C)CCCC2	PC-id_22605332,SCHEMBL6380218	220.268	CRULRUYOSJJJOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009777
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CN(CCn1cc2c(c1)CCCCC2=O)C	PC-id_83206842,EMOLS-id_260763725	220.311	IAIAQVIPLOHATI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009816
NC1(CC1)CCc1cn2c(c1)OCCCC2	PC-id_105476511	220.311	VDRSXEOMQCWDLF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-009817
o1nc2c(c1CC1CCNC1)CCCCC2	PC-id_83849577	220.311	JLXGXHLOUABHCX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-009818
o1nc2c(c1CC1NCCC1)CCCCC2	PC-id_83849575	220.311	HFMVBPGYXAWMAN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-009819
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C1CCn2c(CC1)nnc2CCNC1CC1	EMOLS-id_37876914,PC-id_60836558	220.314	FGKZVHFVYASJOF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-009823
C1CCn2c(CC1)nnc2CNC1CCC1	PC-id_104004677	220.314	GGIZJJKOHSFJQB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-009824
C1CCn2c(CC1)nnc2CNCC1CC1	EMOLS-id_37777211,PC-id_43655455	220.314	QTCQGDUGIBVKPO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-009825
c1c(CN2CCCC2)nn2c1CNCCC2	MCULE-9306774834,ZINC22_309368245	220.314	QEVZQTTVOLLNMA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-009826
c1(CN2CCCC2)ncn2CCCNCc12	MCULE-5434193958,ZINC22_309356368	220.314	ILBDUTRXJCHOTR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-009827
c1cn2c(n1)CNC[C@H](CN1CCCC1)C2	ZINC22_96066954,PC-id_97389284	220.314	IWOPLAJLHFLLBG-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-009828
c1cn2c(n1)CNC[C@@H](CN1CCCC1)C2	ZINC22_96066955,PC-id_97389285	220.314	IWOPLAJLHFLLBG-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-009829
c1nc2n(c1CN1CCCC1)CCNCC2	ZINC22_306140652,EMOLS-id_50370134	220.314	UZQXGKNBAIGJAT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-009830
C(C1CNCc2nccn2C1)N1CCCC1	EMOLS-id_46160571	220.314	IWOPLAJLHFLLBG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-009831
CC(c1nnc2n1CCCCC2)C1CNC1	PC-id_116682418	220.314	DGIBXXQMAFSFGF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-009832
CC(c1nnc2n1CCCCC2)NC1CC1	PC-id_103439144	220.314	SSUMPLRFAMVMFB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-009833
CC(C)n1ncc2c1C[C@H](C(=N)N)CCC2	ZINC22_575425836	220.314	XSYXPXXSJQOZME-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009834
CC(C)n1ncc2c1C[C@@H](C(=N)N)CCC2	ZINC22_575425837	220.314	XSYXPXXSJQOZME-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-009835
CC(C)n1ncc2CCCC(Cc12)C(=N)N	MCULE-6962960199,EMOLS-id_75547832	220.314	XSYXPXXSJQOZME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009836
n12c(nnc1CCCCC2)CC1CCNC1	PC-id_65977285	220.314	NBBMXNBZLUNWEO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-009837
n12c(nnc1CCCCC2)C(N)(C1CC1)C	PC-id_64669273	220.314	AHUQCFBCRMUHFO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-009838
n12nc(nc1CCCCC2)C(C1CC1)CN	PC-id_82661810	220.314	ARHUTYIQWNWHSM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-009839
N1C(CCC1)Cc1n2CCCCCc2nn1	PC-id_61371343	220.314	ZDKHKEOYSSRTOU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-009840
NC1(CCC1)Cc1n2CCCCCc2nn1	EMOLS-id_42560327,PC-id_79846173	220.314	BTOPXLGYYSGZIT-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-009841
NC1(CCc2nc3n(n2)CCCCC3)CC1	PC-id_105476637	220.314	KBEUPZDHTYHGOA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-009842
NC(C1CC1)Cc1n2CCCCCc2nn1	PC-id_81995218	220.314	UDHBAYNVPOUGHS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-009843
C#CCC(c1cc2c(s1)CCCCC2)O	PC-id_115840095	220.331	BVZUXBKNWZNSCC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009844
C=CCC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_313776143	220.331	XHIUJHPNZNWLPS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009845
CC(=C)C(=O)c1cc2c(s1)CCCCC2	PC-id_115780984,EMOLS-id_107594749	220.331	XLXIKIUGWSMVTK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009846
O=C(c1cc2c(s1)CCCCC2)C1CC1	PC-id_114977635,EMOLS-id_313779204	220.331	KVPIJBQGTXSKQU-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-009847
CC1COSc2c(SO1)csc2	SCHEMBL17536615,PC-id_118898642	220.332	KNEDUCPUJRWJFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009848
C1CCc2c(C=N1)cc(s2)CNC1CC1	PC-id_141859856	220.334	ZAHDYEIYXRCOQS-UHFFFAOYSA-N	00100000100000000110000000000010000000000000000000000000	31-01-009849
CCNC1=C(NC)C=CCc2c1scc2	PC-id_142897824	220.334	SGZOMEANGAMBCK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009850
CCNc1sc2c(c1C#N)CCCCC2	EMOLS-id_39588058,PC-id_63091988	220.334	ZZEYRPZVRXBXNV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009851
n1c2CCCCCc2sc1[C@H](CC#C)N	MCULE-8340800627,PC-id_82676688	220.334	KYISJYQTLSIIOI-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-009852
N=CC1=C(N)c2c(C)sc(c2CCC1)C	PC-id_141976258	220.334	ABAVCQVXUVWOQC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009853
N#CC(c1nc2c(s1)CCCCC2)(C)C	PC-id_103097231	220.334	IKXZKPOJKTUTPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009854
NNC(c1cc2c(s1)CCCCC2)C#C	PC-id_105315436	220.334	QEXXXVWFAGUBFA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009855
s1c2CC(=NC=Cc2cc1)N(CC)CC	PC-id_13125346	220.334	HMBRUZZVEUWEJE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009856
s1c2CN=C(N(CC)CC)C=Cc2cc1	PC-id_13125347	220.334	FHKPYSSWPAAEEI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-009857
S1CCSc2nonc2SCC1	PC-id_23651225	220.336	CLYJVHHULDUNHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009858
CCC(C)(C)c1cc2c(o1)CCCCCC2	PC-id_90927070	220.35	CILRTAXITXRJMV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009859
o1c2c(CCCCCC2)cc1CCCCC	PC-id_44132930	220.35	RLEVHOOLVYOMMC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009860
o1c2CCCCCCCCCCc2c(c1)C	PC-id_12409167	220.35	VLOWJEUNNXOQPW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009861
o1c(c2CCCCCc2c1)CCCCCC	PC-id_13780479	220.35	GUXLCFLDJKUSIB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009862
C1CCCCCn2c(CCCCC1)ncc2	SCHEMBL3310781,PC-id_25115819	220.354	MOSSQTRNQUITKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009863
CC1(C)CCCCCCc2n(CC1)ccn2	SCHEMBL18071839,PC-id_122535920	220.354	TWJYEJJBWJKDGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009864
CC1CCCCC(n2c1c(nc2)C(C)C)C	PC-id_144531683	220.354	BOWRKWYGIJEHKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009865
Cc1[nH]c2c(n1)CCCCCCCCCC2	SCHEMBL17128162,PC-id_118407331	220.354	ZTBWSKSATGWUSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009866
CCC1CCCc2cc(nn2C1C(C)C)C	PC-id_91368595	220.354	DEWMSTJMDSSRBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009867
CC(c1nc2n(c1C(C)C)CCCCC2)C	PC-id_140931297	220.354	LBAUGRUKCGPKLI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009868
CC(c1[nH]c2c(n1)CCCCCCC2)(C)C	SCHEMBL19012501	220.354	QTSSNPJIVRPVES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009869
CCCCCc1c(C)nc2n1CCCCC2	SCHEMBL19006736	220.354	ZDOARACLKPLHQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009870
CCCCCn1cc2c(c1)CCCCC2N	EMOLS-id_261649289,PC-id_83208403	220.354	YQNPCMVEOQJJOZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009871
CCCCCn1nc2c(c1C)CCCCC2	SCHEMBL11667474,PC-id_70630898	220.354	QGEXBSWLUAQWFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009872
CC(C)(C)n1c2c(CCCCCCC2)cn1	SCHEMBL19788790,PC-id_134186191	220.354	GLSWBHYUVWKJRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009873
CCCCn1cc2c(c1)CCCCC2NC	EMOLS-id_314390961,PC-id_83208725	220.354	YCJIWVGIIZGWKV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009874
CC(CCn1cc2c(c1)CCCCC2N)C	PC-id_83207828,EMOLS-id_261000596	220.354	FYRPFNZBQVITQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009875
CCCNC1CCCCc2c1cn(c2)CC	PC-id_83213331,EMOLS-id_315766673	220.354	PXNKNADCQPZVNS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009876
CCNC1CCCCc2c1cn(c2)CCC	EMOLS-id_315768208,PC-id_83212913	220.354	FLRZZCCDIWBHFO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009877
Cn1c2CCCCCCCCCCc1nc2	PC-id_101403939	220.354	YCYILVNCURSLTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009878
CNC1CCCCc2c1cn(c2)CC(C)C	PC-id_83207960,EMOLS-id_261127593	220.354	IXVOKPAZQSIPSG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009879
CN(CCCc1c[nH]c2c1CCCCC2)C	SCHEMBL6697504,PC-id_60113759	220.354	AOLLVBYKHVWZQZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009880
CSc1cc(c2-c1ccccc2)SC	PC-id_101841962	220.354	WFHDVDBFZMEUCX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009881
CSc1c(SC)cc2-c1ccccc2	PC-id_101739098	220.354	RZUZSZGEMCAZJR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009882
n1(c2nc(CCCCCCCCC2)c1C)C	PC-id_12637123	220.354	WHOMLQUUQDJPMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009883
n1(CC(CC)C)cc2C(N)CCCCc2c1	PC-id_83207924	220.354	AIYVOWVOILYJTC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009884
n1[nH]c(c2CCCCCCCCCCc12)C	PC-id_8209113	220.354	GUXXMXZWGRSQFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009885
[nH]1nc2C(CCCCCCCCc1c2)CC	PC-id_85880333	220.354	RYFZKOWYZWFIQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009886
CC(=Cc1cc2c(s1)CCCC[C@@H]2C)C	SCHEMBL12515956,PC-id_68304029	220.374	YPXVPHUJAYLZKT-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-009887
s1c2c(C(CCCC2)C)cc1C=C(C)C	PC-id_77473147	220.374	YPXVPHUJAYLZKT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009888
CC(=O)Oc1ccc2-c1ccccc2Cl	PC-id_101135348	220.652	ADVMEVQERBIFCX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009889
CC(=O)Oc1ccc2-c1ccc(cc2)Cl	PC-id_101135349	220.652	JWPJDSWNXSCVKX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009890
Clc1c(c2-c(c1)ccccc2)C(=O)OC	SCHEMBL5270840,PC-id_22107186	220.652	NEGWKGRSCUPKQG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009891
O=C(OC)c1cc(Cl)c2-c1ccccc2	PC-id_15257572,CNP0041971	220.652	HEUOHXSHPVULTJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009892
Clc1c(NC(C)C)nc2-c1ccccc2	PC-id_10560916	220.698	VQNKTEDRQLBFBQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009893
CC1=CC(=C2C1=CC=CC=C2)S(=O)(=O)[O-]	PC-id_152767590	221.028	PYFOYMZNMLUXBA-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-009894
[B]1OCCCCC(=O)C2=CC=C(O2)C(=O)O1	PC-id_149261251	221.062	HUUNNUVUKNLAEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009895
ClC1(Cl)CCCCc2n(nnn2)C1	PC-id_85774236	221.087	IWRFZEOFGKIEBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009896
ClC1(Cl)CCCCCn2nnnc12	PC-id_21819680	221.087	XJPBHMOVZYDHPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009897
Brc1c2-c(c(c1)C)ccccc2	PC-id_11218302	221.093	DSORTCLJQDJIPL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009898
BrCc1cc2-c(c1)ccccc2	PC-id_10513162	221.093	AEFCFRXIAHDVLR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009899
C1=CC=C(C=C1)NC2=NC3=CC=CC=CC3=N2	PC-id_154177614	221.095	SDBQBXXTQWMGSU-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-009900
C=CC(C(=O)N1CCCC2=C(C1)C=NN2)O	MCULE-9515168457,PC-id_154763844,EMOLS-id_317275639	221.116	PVKMYLBBNNJBNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009901
CC/C=CCC1=C(C2=CC=CC=CC2=N1)C#C	PC-id_155072830	221.12	FPSJVDOKEZNIDL-ALCCZGGFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-009902
C1COc2c([Se]O1)csc2	PC-id_87815554,SCHEMBL5325089	221.136	ATINWUJDKPQSER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009903
CCC1CC(=O)C(CCC2=C1C=NN2C)N	PC-id_147819022	221.153	HOWIDOLVFHBENS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009904
CC(C)(C)C1=NN2CC(C=NCC2=C1)CO	PC-id_153988673	221.153	XVXLWLCZHPDYAN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009905
CN1C2=C(C=N1)C(C(=O)CCC2)CN(C)C	PC-id_161837415	221.153	XXHQWTDWEMNNEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009906
C[C@H](C=N)[C@@H]1CCCc2c(CC1)n(nn2)N	PC-id_163584150	221.164	GKBFLGYRMQHFDE-RKDXNWHRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009907
C1COCCc2c1c(cn2O)C(F)(F)F	SCHEMBL20631714,PC-id_137400027	221.176	NEXFRNALPCNEPY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009908
CCC1(CCCC(Cn2cnnc2C1)C)C	PC-id_163709292	221.189	KHTYGXRNBWAHER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009909
CC(C)C1=NN=C2N1CCCCCCCC2	PC-id_155157952	221.189	ZXKQSSIJCGHWCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009910
CC(C)(C)C1CCCCCC2=C1N=NN2C	PC-id_164777219	221.189	APIORXJBGUVXRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009911
CCN1CCCC2=C(C1)C=NN2C(C)(C)C	PC-id_155175849	221.189	KTHDLUCKVSBHFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009912
CCN1CCCC2=NN(C=C2C1)C(C)(C)C	PC-id_155175797	221.189	DULQQPQVJKNRJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009913
Oc1c2-c(c(c([N+]#N)c2C#N)C#N)cccc1	PC-id_10798936	221.194	OXPOSZGZVUPFPS-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-009914
Oc1ccc2-c(c(c([N+]#N)c2C#N)C#N)cc1	PC-id_11138630	221.194	MOQCKDDDIANYHN-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-009915
OS(=O)(=O)N1CNc2nonc2NC1	EMOLS-id_49398283,ZINC22_98086437,MCULE-4204902662,PC-id_135635239	221.194	BUHDDQAVYVMXMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009916
O=C1N(n2c(C=CC1N)ccc2)CC(=O)O	PC-id_77768519	221.213	WIEMEWFVSDOHNQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009917
O=C1N(n2c(C=C[C@@H]1N)ccc2)CC(=O)O	PC-id_70062113,SCHEMBL7349168	221.213	WIEMEWFVSDOHNQ-QMMMGPOBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009918
Nc1nc(=O)c2c(c(=O)[nH]1)ncn2C(C)C	PC-id_59248130,SCHEMBL10101246	221.216	RBFWZPKROFAARL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009919
O=c1nnc(=O)[nH]c2ncn(C(C)(C)C)c12	PC-id_77469902	221.216	XWNJGHXKLYTGFN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009920
O=C(NNC1=Nc2n(N=C(C1)C)cnn2)C	PC-id_12341565	221.219	XQOCBNNKDBDGCI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-009921
C(F)(F)(F)C1CCc2c(ncs2)CC1	MCULE-5055697600,EMOLS-id_207822213	221.243	CWPZXGRDDFNWRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-009922
FC(c1cc2c(s1)CCNCC2)(F)F	PC-id_59302560,SCHEMBL2998332,TT-id_D0MQ7F	221.243	LGAITTJTPTXJJS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009923
FC(N1CCc2c(CC1)ccs2)(F)F	SCHEMBL3040227,PC-id_11651462	221.243	PTKBTHMDEDYXQN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009924
Cc1c2c(CCCCC2=O)c(C(=O)O)n1C	EMOLS-id_336466418	221.252	VHFAWJPNMISVEO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009925
CCOC(=O)c1cc2CCCCC(=O)c2[nH]1	PC-id_122705226,MCULE-7659350958,SCHEMBL18250045,ZINC22_1772715287,EMOLS-id_317465533	221.252	PPHLXUGBYPBUDO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009926
CCOC(=O)c1cc2CC(=O)CCCn2c1	PC-id_68226468,ZINC22_204577846,EMOLS-id_317474245,MCULE-1465345021,SCHEMBL12271733	221.252	ZUIQXIYKUBCVAI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009927
CCOC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_18696565,SCHEMBL6305765,ZINC22_44126833	221.252	PQLOIWYFDWGKSQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009928
COC(=O)c1cn(c2c1CCCCC2=O)C	PC-id_68276332,SCHEMBL12466304	221.252	NAQLWRMLPFZICL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-009929
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CCCCC1NCCCn2cc(CC)nc12	MCULE-3290141267,EMOLS-id_208139565	221.342	BTUWIBCLHJRXAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010034
CCC(C)C1NCCCn2cc(CC)nc12	MCULE-8111003417,EMOLS-id_208139571	221.342	SFHUNVOZQDKJHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010035
CCC(C)(C)C1NCCCn2cc(C)nc12	MCULE-4515902144,EMOLS-id_208139520	221.342	QZVLLDFGXZGRBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010036
CCC(C)CC1NCCCn2cc(C)nc12	MCULE-7362021168,EMOLS-id_208139541	221.342	ADNZMCJUYZQTFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010037
CC(C)(C)Cc1nnc2n1CCCCCC2	PC-id_146137274,ZINC22_630951133	221.342	IYYUIECCXAEBDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010038
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CCC[C@H]1NCCCn2cc(CCC)nc12	EMOLS-id_208139733,MCULE-3269658434	221.342	LEZWONZDJBKTLU-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010040
CC(CCN1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319597496	221.342	KOSKTQBTLZLZBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010041
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CC(CCn1ncc2c1CCCCC2N)C	PC-id_107384416	221.342	YXEFLQVRZGCIPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010043
CC(C)(C)n1ncc2CNCC(C)(C)Cc12	MCULE-2895376972,EMOLS-id_317478102	221.342	WGRUHFQJQLIBLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010044
CCCCNCc1n[nH]c2c1CCCCC2	PC-id_62113037,EMOLS-id_38796935	221.342	XERXQTHWUQPUMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010045
CC[C@H](C)[C@@H]1NCCCn2cc(CC)nc12	MCULE-1295412812,EMOLS-id_208139604	221.342	SFHUNVOZQDKJHG-JQWIXIFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010046
CCC(n1ncc2c1CCCCC2NC)C	PC-id_107384406	221.342	ZNKINELZPMHQPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010047
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CCC(n1nnc2c1CCCCCC2)CC	PC-id_138599225,SCHEMBL20960432	221.342	ZSYIYBOSWLNOSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010049
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CC(CNc1[nH]nc2c1CCCCCC2)C	PC-id_63049716,EMOLS-id_39560542	221.342	GMOIGRHLYPZDNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010051
CC(CNCc1nc2c([nH]1)CCCCC2)C	EMOLS-id_40130613,PC-id_63955089	221.342	GKIVQGXIPURZLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010052
CCCNCc1[nH]c2c(n1)CCCCCC2	PC-id_63927781,EMOLS-id_40130477	221.342	XWLBXQZOOQJSHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010053
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CCC(NCc1n[nH]c2c1CCCCC2)C	EMOLS-id_38796943,PC-id_62113042	221.342	RKNSOALJWKUXIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010055
CC(N1CCCc2c(C1)c(n[nH]2)C(C)C)C	PC-id_118489321,SCHEMBL17229802	221.342	KSQMFNDMXWPAFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010056
CCNC1CCCCc2c1cnn2C(C)C	PC-id_107384383	221.342	CKABHGFSXGDJNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010057
CCNC1CCCCc2c1cnn2CCC	PC-id_107384391	221.342	FBNNQJOEYOXDJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010058
CC(Nc1[nH]nc2c1CCCCCC2)(C)C	PC-id_63049363,EMOLS-id_39560444	221.342	FHCIKIDHFLHUIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010059
CC(NCc1nc2c([nH]1)CCCCC2)(C)C	EMOLS-id_40130571,PC-id_63927995	221.342	BMCMRIKQALUBDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010060
CC(NCc1[nH]c2c(n1)CCCCCC2)C	EMOLS-id_40130497,PC-id_63927602	221.342	MXCQKXJYZVKZBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010061
CNC1CCCCc2c1cnn2C(C)(C)C	PC-id_107384298	221.342	CZSCASHDAHWHQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010062
CNC1CCCCc2c1cnn2CC(C)C	PC-id_107384336	221.342	WHNQVGGICRCKDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010063
CN(CCn1cc2c(c1)CCCCC2N)C	EMOLS-id_314390449,PC-id_83207838	221.342	WLYQEMZDKRMDIZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010064
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Nc1[nH]c2c(n1)CCCCCCCCCC2	PC-id_66203071,EMOLS-id_41777771	221.342	JKARCKRCXQYWMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010066
C1CCc2c(CC1)c(cs2)CNC1CC1	PC-id_114748993	221.362	ZWMCQHPBDBDWIM-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-010067
C1CCc2c(CC1)cc(s2)CNC1CC1	PC-id_43163815,EMOLS-id_37550319	221.362	JBEMIKBXECTETI-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-010068
C1CCc2c(C(C1)CNC1CC1)ccs2	SCHEMBL18723581	221.362	OPVQJNVQNYTADQ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-010069
Cc1n2CCCCCCCCCC[n+]1cc2	PC-id_101208344	221.362	VDARNEOGGBCDOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010070
CC(=C)C(c1cc2c(s1)CCCCC2)N	PC-id_105005609	221.362	ZJNPWXXIXXCTCQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010071
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C[n+]1c2CCCCCCCCCCc1[nH]c2	PC-id_139181059	221.362	YCYILVNCURSLTN-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-010073
CNC(c1cc2c(s1)CCCCC2)C=C	PC-id_105000947	221.362	QXWUDGDSLUVSKP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010074
NC(c1cc2c(s1)CCCCC2)C1CC1	PC-id_104994334	221.362	BFHNWJMCCDQSJJ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-010075
C[Si](OC1=CCCCc2c1cc[nH]2)(C)C	PC-id_141050494	221.371	GJFMMARRVSGYNG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-010076
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Clc1cc2-c(c(c(=O)[nH]2)C(=O)C)ccc1	PC-id_85649818	221.64	KCUQEKHWCAOEJP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010078
Clc1ccc2-c(cc1)cc(=O)n2C(=O)C	PC-id_121221383	221.64	VEOULUOMVXQAHQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010079
Clc1ccc2-c(cc1)[nH]c(=O)c2C(=O)C	PC-id_20534011,SCHEMBL11270014	221.64	KZLNZAJOZPKUOU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010080
Clc1nc2-c(c1C(=O)OC)ccccc2	PC-id_21721114	221.64	GKPXETRBDUZOCW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010081
ClCC(=O)c1c2-c([nH]c1=O)ccccc2	PC-id_85517835	221.64	VLPNYSLDHQBEDA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010082
O=Cc1c(Cl)[nH]c2c1C=CC(C=C2)(C)C	PC-id_143839411	221.683	NWONZYBWDCWJQF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-010083
C1=CC=C2C=NC(=C2C=C1)CS(=O)(=O)[O-]	PC-id_160277625	222.023	PQEDHNRPAIOPCN-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-010084
CS(=O)(=O)OC1=CC=CC=C2C1=CC=C2	PC-id_153896896	222.035	CZMWADRUWVQDLA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010085
Brc1ccc2-c(cc(N)c2)cc1	PC-id_85998639	222.081	GCZVKRUTTWHKDI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010086
C1CCC2=C(CC1)N(N=C2C(=O)O)CC=O	PC-id_153600256	222.1	HANYSYABVYVOFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010087
CCCN1C(=O)CN(C(=O)C2=C1N=CN2)C	PC-id_165343527	222.112	AUGZBZWARAAABB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010088
Clc1c2CCNCCc2sc1Cl	TT-id_D0UL9W,PC-id_11528662,SCHEMBL3000284	222.135	HDVAWYQRAINQIT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010089
CC1=C2CNCCCN2N=C1C(=O)N(C)C	PC-id_164799003	222.148	HMQMOYFTSMFJTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010090
O1C(=Cc2[nH]ncc2C=C1C(=O)O)C(=O)O	PC-id_21825223	222.154	JKBYOYRXDNMBFH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010091
CN1C2=C(CCCCC2)C(=N1)[Si](C)(C)C	PC-id_165027237	222.155	MBXAXBJZXWRGDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010092
C1COCCc2c1c(nn2O)C(F)(F)F	SCHEMBL20631707,PC-id_137400020	222.164	XVPMNVCFNPPRMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010093
CCC1CCOC2=C(C=NN2C1)C(C)(C)C	PC-id_161076860	222.173	SNKSVZHESOXUFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010094
CC[C@H]1CCOC2=C(C=NN2C1)C(C)(C)C	PC-id_160453719	222.173	SNKSVZHESOXUFB-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-010095
O=c1cc2oc(cc2c(c(O)c1O)CO)C	CNP0349071	222.194	JYECSTONKXULDC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-010096
c12c([nH]cc1C(=O)OC)C(=O)NCCC2=O	MCULE-9817635892	222.197	LTTYQCXJOOZKNB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010097
COC(=O)C1=NC=Cc2c(C1)c(OC)no2	PC-id_70366616,SCHEMBL10436563	222.197	CLYCUMNFLWLKDE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010098
O=C1NC(=O)Cc2c(C1)c([nH]c2C)C(=O)O	PC-id_96249389	222.197	DYGHKFXINUNJKL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010099
OC(=O)C1=CNCCc2c1[nH]c(c2)C(=O)O	PC-id_140089896	222.197	ASJQILXAZSMTSN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-010100
OC(=O)C1n2c(CNC(=O)C1)cc(c2)C=O	PC-id_42614007	222.197	ZXFRKLHHQIEYIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010101
CCOC(=O)N1C=Cc2c(C=N1)[nH]c(=O)[nH]2	PC-id_137187619	222.201	JMPOAMNNGIRPHN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010102
CC(=O)N1CC(=O)Nc2c(C1=O)cnn2C	PC-id_137175912	222.201	ONESIKRLNXRBAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010103
CC1=Nn2c(/N=C(/C)O)nnc2NC(=C1)O	ZINC22_6591429	222.204	VDFHKQGGARZPGY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010104
CC(=O)Nc1nnc2n1[nH]c(=C)cc([nH]2)O	PC-id_136152237	222.204	JGGAGUZEUWFPTI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010105
CCOC(=O)c1cc2c(CCCCC2=O)o1	EMOLS-id_337711493	222.237	ZWZIBOORDHQKQV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010106
CCOC(=O)c1coc2c1C(=O)CCCC2	PC-id_18696560,SCHEMBL7371057	222.237	BBJCQMZMOAMYME-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010107
COC(=O)C1CCCc2c(C1=O)cc(o2)C	PC-id_68527474,SCHEMBL3143570	222.237	ZVGQJRKJDUCTEV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010108
c12C(=O)NCCCn1cc(C(=O)OCC)c2	MCULE-3754498715,EMOLS-id_44833796,ZINC22_95642842,PC-id_58465644,SCHEMBL2521094	222.24	QRDHVZAUSZYHAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010109
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CC=CC(=O)C1CCCCc2noc(=O)n12	PC-id_91099753	222.24	KIVXTPSCTFIXNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010111
CCOC(=O)c1cc2C(=O)CCCCn2n1	SCHEMBL6381453,EMOLS-id_324186171,PC-id_22605301	222.24	HDWNIXJUYBJLJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010112
CCOC(=O)c1n[nH]c2c1CCCCC2=O	PC-id_68295474,SCHEMBL12499437	222.24	IGQVDQVVUTVGCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010113
CC(=O)N1CCCc2[nH]c(cc2C1)C(=O)O	EMOLS-id_331170803	222.24	UAWJRPLCQKWOTJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010114
COC(=O)C1CCCc2c(C1=O)cnn2C	SCHEMBL3143484,PC-id_68527440	222.24	HHCWHYMPLCMKFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010115
COC(=O)Cn1ccc2c1CCCNC2=O	PC-id_101862665	222.24	KMLNFZMVSADZRX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010116
O=C(N1CCc2[nH]c(cc2CC1)C(=O)O)C	PC-id_84016651	222.24	INJPKCWFQUUXIN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010117
OC(=O)Cc1[nH]c2c(c1C)NC(=O)CCC2	PC-id_96793154	222.24	HYMVDQVYZIFHRD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010118
Cc1nn(C)c2c1C(=O)N(C)CC(=O)N2C	ZINC22_1636790,PC-id_377438,CoCoCo_5723658,NSC658891	222.244	DGXZMTNZDDJDDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010119
CCN1CC(=O)N(CC)c2[nH]cnc2C1=O	CHEMBL328682,PC-id_14739438,GD-id_ZINC26673328,BindingDB_PC-id_14739438	222.244	UOOLFHMFMNMKLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010120
CCn1nc(C)c2c1C(=O)N[C@@H](C)C(=O)N2	ZINC22_1636792,CoCoCo_5723661,PC-id_92153577	222.244	RQNHVUFILDKNCT-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-010121
CCn1nc(C)c2c1C(=O)N[C@H](C)C(=O)N2	ZINC22_5854055,CoCoCo_5723660,NSC658893,PC-id_92282790	222.244	RQNHVUFILDKNCT-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010122
O=C1N(CCCn2c1nc(c2)C(=O)NC)C	PC-id_58465802	222.244	YRUZAPWLHBLYPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010123
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OCCCCn1c2c(nc1)NC=NCC2=O	PC-id_10727735	222.244	YBGWGPRPCGUQBY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010130
OCCCCn1c2NC=NCC(=O)c2nc1	PC-id_10799044	222.244	AHYYTEAKBDUDGQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010131
Cc1cc2-c(c1S(=O)(=O)O)ccccc2	PC-id_141549267	222.26	XKBXUTYAVWOWRC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010132
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OC(=O)/C=C
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S(=O)(Oc1c2-c(c(c1)C)ccccc2)O	PC-id_57293689	222.26	JXZLLHMEAUHOCV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010137
S(=O)(=O)(c1c2-c(cc1O)ccccc2)C	PC-id_85886101	222.26	CHKJHVGLJCDKJA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010138
S(=O)(=O)(O)c1c2-c(c(c1)C)ccccc2	PC-id_10082271	222.26	PYFOYMZNMLUXBA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010139
S(=O)(=O)(OC)c1c2-c(cc1)ccccc2	PC-id_12344136	222.26	NYBUNJVXVOHHSZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010140
c1cc[n+](cc1)Oc1cc2-c(c1)ccccc2	PC-id_139731537	222.262	WMCMHOVDAVGYJU-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-010141
C=CC(=O)N1CCNC(=O)c2c1ccs2	MCULE-3637559640	222.264	TVTWBNJNPIBCRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010142
[N-]=[N+]=NC1CCc2c(NC1=O)cc(s2)C	SCHEMBL19037368	222.267	QRDSXSLMWHTQMH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010143
o1c2C(CCCCCc2cc1)C(=O)OCC	PC-id_11229790	222.28	SJWZKZKBGORFRJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010144
o1c2c(cc1)cccccccccccc2	PC-id_86208290	222.282	WIPQCOKCAPRJOX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-010145
o1cc2c(c1)cccccccccccc2	PC-id_85773484	222.282	QXNKPQXOOPBLEM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-010146
O=CC=C(C=Cc1c2-c(cc1)ccccc2)C	PC-id_85766460	222.282	KLIJYTJGAWLOCU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010147
O=C/C=C(/C=C/c1cc2-c(c1)ccccc2)C	PC-id_101033451	222.282	DXLJCXTZNYKZLR-NJHPPEEMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010148
O=CC=C(C=Cc1cc2-c(c1)ccccc2)C	PC-id_85807744	222.282	DXLJCXTZNYKZLR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010149
O=C/C=C(/C=C/c1ccc2-c1ccccc2)C	PC-id_101033449	222.282	KLIJYTJGAWLOCU-IGOCJVNJSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010150
c12CC(CCCc1cnn2CC)C(=O)OC	MCULE-7396629465,EMOLS-id_75547732	222.284	XJSGBLUJQYYTNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010151
c12OCCCC(=O)c1c(nn2C(C)(C)C)C	EMOLS-id_320450335,MCULE-8615948905	222.284	UKBCZVMNQFQZPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010152
c12OCCCC(=O)c1c(nn2C(C)C)CC	EMOLS-id_320453650,MCULE-7905446470	222.284	PRHIDHQLZRUHQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010153
c1(C(=O)NC(C)C)c2CCCCCc2on1	EMOLS-id_21980629,MCULE-8405286728,PC-id_17254347,TIMTEC148195,ZINC22_20549693	222.284	FLALNSSPFXAZLU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010154
c1(C(=O)NCCC)c2CCCCCc2on1	ZINC22_20595248,EMOLS-id_21980655,PC-id_17254362,MCULE-4094628447,TIMTEC216931	222.284	IJXAJLKIMXERDH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010155
Cc1nn2CCCCCCCc2c1C(=O)O	EMOLS-id_337770533	222.284	QUWGUVWGNJAYQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010156
CCc1cnc2CCC(CCn12)C(=O)OC	PC-id_137703982,MCULE-3191423315,EMOLS-id_106531360	222.284	RBCRTGWXHCIKQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010157
C=CCCC1CCCCCc2n1c(=O)on2	PC-id_141976391	222.284	PZGTUCXRPXCSGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010158
CCCN1CCC(c2c(C1=O)ccn2C)O	SCHEMBL8476151,PC-id_18335519	222.284	IRFZTNNKGZZKCM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010159
CC(C)n1ncc2c1C[C@H](C(=O)O)CCC2	ZINC22_575424042	222.284	JUIHVOBXTYCHOF-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010160
CC(C)n1ncc2c1C[C@@H](C(=O)O)CCC2	ZINC22_575424043	222.284	JUIHVOBXTYCHOF-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-010161
CC(C)n1ncc2CCCC(Cc12)C(=O)O	MCULE-8218550842,EMOLS-id_75547824	222.284	JUIHVOBXTYCHOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010162
CC(C(=O)O)c1c2CCCCCc2nn1C	MCULE-5561083374,EMOLS-id_259658930	222.284	MXQMSRZUNDKJFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010163
CCn1ncc2c1C[C@H](C(=O)OC)CCC2	ZINC22_575425821	222.284	XJSGBLUJQYYTNC-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010164
CCn1ncc2c1C[C@@H](C(=O)OC)CCC2	ZINC22_575425822	222.284	XJSGBLUJQYYTNC-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-010165
CCN(C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_102371833	222.284	UFJZCKAVWZIETJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010166
CCOC(=O)c1cc2c(n1C)CCNCC2	SCHEMBL11178069,PC-id_20481327	222.284	SCMOMCAOXKOYMO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010167
CCOC(=O)c1[nH]c2c(c1N)CCCCC2	EMOLS-id_317465787,ZINC22_1772715295,MCULE-1452074369	222.284	QNUIVDOJSYEMLL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010168
CCOC(=O)c1nn2c(c1)C(C)CCCC2	PC-id_22605330,SCHEMBL6380305	222.284	KEKNIFGPZBTYOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010169
CCOC(=O)c1n[nH]c2CCCCCCc12	EMOLS-id_337791656,PC-id_102278399	222.284	HVTQJTAEIWOLHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010170
Cn1nc2CCCCCc2c1CCC(=O)O	MCULE-5222581942,EMOLS-id_259658933	222.284	JTZRFANKSALIKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010171
CNC1C(=O)N(CCc2c1occ2)C(C)C	SCHEMBL14171301,PC-id_23554908	222.284	RIXUCGPDWCGSKF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010172
CNC(=O)Cn1cc2c(c1)CCCCC2O	EMOLS-id_314406079,PC-id_83207782	222.284	PLJQRNUDQMZJFH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010173
COCc1nc2c(n1CC)CCCCC2=O	PC-id_121457978,SCHEMBL17895809	222.284	HEYKUMGSYMVYAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010174
COCCn1c(C)nc2c1CCCCC2=O	SCHEMBL17895836,PC-id_121458004	222.284	IOQVWDYHOOJOOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010175
COC(=O)Cc1n(N)cc2c1CCCCC2	PC-id_122383517	222.284	VNGZWYIJDANMEX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010176
COC(=O)Cn1cc2c(c1)CCCCC2N	EMOLS-id_315764632,PC-id_83208599	222.284	WVJYCHJNYHHNMZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010177
n12CCCCCc1cc(CC(N)C(=O)O)c2	MCULE-6295792181	222.284	VOWHCCJEMOZRFZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010178
NC(=O)CCn1cc2c(c1)CCCCC2O	PC-id_83208331,EMOLS-id_315764637	222.284	QCWMIWPSDFVKTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010179
o1c2c(CCN(CC2)C(=O)C)cc1CCN	PC-id_82617222	222.284	NCTGFPFYRCKYOX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010180
o1c2C(NC)C(=O)N(CCc2cc1)CCC	PC-id_20590199	222.284	JYJXNNGOGSQZBM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010181
O(C1C(CNC(=O)c2[nH]c(c(c12)C)C)C)C	PC-id_59966304	222.284	NKFWYSLVFBUWJR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010182
O[C@H]1CCN(C(=O)c2c1n(cc2)C)CCC	PC-id_59101146	222.284	IRFZTNNKGZZKCM-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-010183
OC(=O)c1n(c2CCCCCc2n1)C(C)C	PC-id_83849837	222.284	UIHPNUAPVPDMSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010184
OC(=O)c1n(nc2c1CCCCC2)C(C)C	PC-id_83862788	222.284	NWXJPFMGXZDVPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010185
OC(=O)c1nn(c2C(CCCCCc12)C)C	PC-id_59551053	222.284	MBSQRIIHZLSYLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010186
C#CC1/C=C/c2c(=C)[nH]c(=C)c2/C=C/C(=C)N1	PC-id_141784222	222.285	RUDPSBYZFMJVOG-CDJQDVQCSA-N	00000000100000000110000000000010000000000000000000000000	31-01-010187
c12CC(CCCc1cnn2CC)C(=O)NN	MCULE-6197497285,EMOLS-id_75547746	222.287	XWCHGYCMPNEVGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010188
c12c(CCC(N)C(=O)N1C)cn(C(C)C)n2	EMOLS-id_320447262,MCULE-5109849149	222.287	KIYOOPHZJUZYQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010189
c12c(CCC(N)C(=O)N1)cnn2C(C)(C)C	EMOLS-id_320450077,MCULE-3253615227	222.287	IQTZXOGTZUTLST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010190
c12NC(=O)C(CCc1cn(C(C)(C)C)n2)N	MCULE-1261091412,EMOLS-id_320446750	222.287	XUKHSWJGOLTEGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010191
C1Cc2nnc(COCC3CC3)n2CCN1	EMOLS-id_46182233,ZINC22_96084613,PC-id_97405436	222.287	CZTQKUZMJGUHIE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-010192
C1CNCc2c(COCC3CC3)nnn2C1	EMOLS-id_50369697,ZINC22_306134913	222.287	OBMYLESKDKREAU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-010193
c1(C(=O)NCCC)cn2c(CCNCC2)n1	MCULE-7747863492,ZINC22_1875246081,EMOLS-id_331108644	222.287	HTDAXKQHNJWIPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010194
c1(C(=O)N)cn2c(CCN(CCC)CC2)n1	ZINC22_1875245404,EMOLS-id_331133209,MCULE-2714769328	222.287	YDFXOLAZBMNGPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010195
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)N)C	EMOLS-id_318777402	222.287	NCHMOFHIOQGTEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010196
CC1CN(Cc2c(C1)[nH]nc2)C(=O)N(C)C	EMOLS-id_319001161	222.287	GXPBSFRPIVDCMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010197
Cc1nn(c2c1NC(=O)C(CN2)C(C)C)C	EMOLS-id_42159668,PC-id_136288535	222.287	KDZSERZIACFEKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010198
Cc1nn(c2c1NC(=O)CC(N2)C(C)C)C	PC-id_136316715,EMOLS-id_315740287	222.287	BMXHXLWUCHBSHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010199
CCC1(C)CNc2c(NC1=O)c(nn2C)C	PC-id_136322354,EMOLS-id_314369079	222.287	SURPFASBNKROTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010200
CCC1CC(=O)Nc2c(N1)n(CC)nc2C	EMOLS-id_314821851,PC-id_136316693	222.287	FBCCIEMFGDAYJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010201
CCC1CC(=O)Nc2c(N1)n(C)nc2CC	EMOLS-id_315735930,PC-id_136316697	222.287	IFWHMIXKRJSQHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010202
CCC1CNc2c(c(nn2C)CC)NC1=O	EMOLS-id_42161820,PC-id_136290741	222.287	NCBSVNHVXCNRAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010203
CCC1CNc2c(c(nn2CC)C)NC1=O	PC-id_136280690,EMOLS-id_42162266	222.287	QEJGILJWGCMEKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010204
CCc1nn(c2c1NC(=O)C(CN2)(C)C)C	EMOLS-id_315659919,PC-id_137012511	222.287	AYUDEKBMNONQML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010205
CCc1nn(c2c1NC(=O)CC(N2)(C)C)C	EMOLS-id_42161848,PC-id_136290747	222.287	SZZUZPSYFICLDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010206
CCc1nn(c2c1NC(=O)C(C(N2)C)C)C	PC-id_136829801	222.287	RTTOKVYUUXCDDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010207
CCCC1CC(=O)Nc2c(N1)n(C)nc2C	EMOLS-id_315739775,PC-id_136316685	222.287	CROALJPRTWNXMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010208
CCCC1CNc2c(c(nn2C)C)NC1=O	PC-id_136288539,EMOLS-id_42159672	222.287	QEIKZCSIXQIHSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010209
CCCc1nn(c2c1NC(=O)CC(N2)C)C	EMOLS-id_42161954,PC-id_136290798	222.287	OHUCDYGNZNHJJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010210
CCCc1nn(c2c1NC(=O)C(CN2)C)C	EMOLS-id_42161968,PC-id_136290791	222.287	MZVQJOYSGNBWIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010211
CCCc1nn(c2c1NC(=O)CCN2C)C	PC-id_79305513,EMOLS-id_42161984	222.287	VRRLEFMPHVRSQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010212
CC(C)NC(=O)C1CNCc2ccnn2C1	EMOLS-id_50369711	222.287	MJVXQZVWNARREL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010213
CC(C)NC(=O)[C@@H]1CNCc2ccnn2C1	ZINC22_306133375	222.287	MJVXQZVWNARREL-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010214
CC(C)NC(=O)[C@H]1CNCc2ccnn2C1	ZINC22_306133376	222.287	MJVXQZVWNARREL-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-010215
CC(C)NC(=O)N1CCCn2cncc2C1	ZINC22_72169616,MCULE-7832110310,EMOLS-id_43175081,PC-id_56915305	222.287	NRWNZVFCTXHLGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010216
CCn1c2c(c(n1)C)NC(=O)C(CN2)(C)C	EMOLS-id_315014615,PC-id_137012512	222.287	YICBTBHAYLRGGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010217
CCn1c2c(c(n1)C)NC(=O)CC(N2)(C)C	PC-id_136290818,EMOLS-id_42162294	222.287	VXRBWBOGGQJPAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010218
CCn1c2c(c(n1)C)NC(=O)C(C(N2)C)C	PC-id_136829802	222.287	BNXKJOFCWOAFNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010219
CCN1CC(C)C(=O)Nc2c1n(C)nc2C	EMOLS-id_42159656,PC-id_79288126	222.287	IVUDIFRKBAXJBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010220
CCN1C(C)CC(=O)Nc2c1n(C)nc2C	PC-id_79288198,EMOLS-id_42159660	222.287	SXBVONVSKFXTMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010221
CCN1CCC(=O)Nc2c1n(CC)nc2C	PC-id_79307640,EMOLS-id_42162244	222.287	NJKAAAGSUBTMQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010222
CCN1CCC(=O)Nc2c1n(C)nc2CC	EMOLS-id_42161798,PC-id_79300297	222.287	BXXXFKDPKFBGCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010223
CCN1CCN(c2c(C1=O)n(C)cn2)CC	SCHEMBL18134852,PC-id_122607081	222.287	QJEHQQHRAGFCQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010224
CCNC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319083340	222.287	CBZNPIJHGNQZNH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010225
CC(=O)NC(c1nnc2n1CCCCC2)C	EMOLS-id_315017193,PC-id_60707835	222.287	OFJJXARXAUAASD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010226
Cn1ncc2c1N(CCCN)CCCC2=O	PC-id_117715192,SCHEMBL16260506	222.287	HYRXSYPCIUKSDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010227
CNC(=O)c1nc(n2c1CN(C)CCC2)C	PC-id_145538555	222.287	YCVPSJORWRZHMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010228
CNC(=O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319535956	222.287	ZAQNKYWXJWUNOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010229
CNC(=O)N1CCCc2c(C1)c(CC)n[nH]2	SCHEMBL21334029,PC-id_139468233	222.287	CJKYSTUOMHNOBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010230
n12CCC(CCc1nn(CC1CC1)c2=O)N	PC-id_90488133,EMOLS-id_50251664,MCULE-7812331637	222.287	OSHPGRCDWVSTSM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-010231
NC1(CC1)CCc1nn2c(n1)OCCCC2	PC-id_105479401	222.287	NKAVPNPXOKOVCG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-010232
N[C@H]1CCn2c(CC1)nn(c2=O)CC1CC1	PC-id_99728164	222.287	OSHPGRCDWVSTSM-SECBINFHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-010233
N[C@@H]1CCn2c(CC1)nn(c2=O)CC1CC1	PC-id_99728165	222.287	OSHPGRCDWVSTSM-VIFPVBQESA-N	00100000100000000101000000000010000000000000000000000000	31-01-010234
O1c2n(nc(n2)C(C2CC2)CN)CCCC1	PC-id_82662150	222.287	JJZKLAQGQUFHET-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-010235
O=C1CCCn2c(CN1)nnc2C(C)(C)C	SCHEMBL14030472,PC-id_59825857	222.287	XFNHIECANKNQCY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010236
O=C1CCN(c2c(N1)c(C)nn2C)C(C)C	EMOLS-id_42159630,PC-id_79288049	222.287	BNROFBJSOKJDTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010237
O=C1N(CCc2n(C1CC)c(nn2)C)CC	PC-id_59872530	222.287	OGFNZLDDDWVOOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010238
O=C(NCc1n2CCCCCc2nn1)CC	PC-id_24646572	222.287	PIILIDCKZRIKJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010239
CN=C(NCc1nnc2n1CCCCC2)N	PC-id_119117483	222.29	GIGGMXLGMGEMAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010240
Cc1c2CCCC(C(=O)c2c(s1)C)C=O	SCHEMBL8010478,PC-id_88236050	222.303	LPQYTTLMXCYAFA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010241
OC(=O)/C=C/c1cc2CCCCCc2s1	EMOLS-id_276931580	222.303	WOFYIYHBKUZWRI-VOTSOKGWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010242
OC(=O)C=Cc1cc2c(s1)CCCCC2	MCULE-5483369861	222.303	WOFYIYHBKUZWRI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010243
OC(=O)C=CC1CCCc2c(C1)ccs2	MCULE-3805774872	222.303	NYIFGQXTKLNTOX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010244
[se]1cc2SCCCSc2c1	PC-id_59566410	235.228	VDKOJKUYHAOPGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012212
OC(=O)/C=C/C1CCCc2sccc2C1	EMOLS-id_276897527	222.303	NYIFGQXTKLNTOX-SNAWJCMRSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010245
C=CC1CCCCc2c(C1=O)sc(n2)N	SCHEMBL13884489,PC-id_89193550	222.307	YMHSXMPUKSWRDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010246
CCCC1=C(S)NC(=O)c2n(C1)ccc2	PC-id_141847616	222.307	VHJPTKYYIWCSFO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010247
C=CC(=O)N1CCCCc2nc(C)sc12	MCULE-1350402735,PC-id_139015411,ZINC22_1776003461	222.307	RAFWUACLDHNFJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010248
C=CC(=O)Nc1nc2c(s1)CCCCC2	MCULE-5466561325	222.307	AYCXDXYBVWRTRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010249
Cc1nnc2n1N=CC=C(C(C)(C)C)S2	EMOLS-id_1536183,TIMTEC497787,ZINC22_4283273,PC-id_666780,STOCK5S-47777,MCULE-1150530084,CHEMBL1495641,CoCoCo_401598	222.31	VEXWGFSTMBBMBK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010250
N#CCCSc1nnc2n1CCCCC2	PC-id_28403816,EMOLS-id_37185818	222.31	BQLSSVRNNRTBHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010251
N#CC(Sc1nnc2n1CCCCC2)C	EMOLS-id_37185804,PC-id_55028557	222.31	XVFQOJHCRHUJOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010252
[N-]=[N+]=NC1CNc2c(CC1)c(sc2C)C	SCHEMBL19031607	222.31	KPGRJGTVHJGOES-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010253
C1CCC(CCCCc2ccc(o2)CC1)O	PC-id_135040150	222.323	GJCGUVRLFWPPGV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010254
CCCCc1cc2c(o1)CCC[C@H](C2)OC	PC-id_101525611	222.323	XZXTZIHQLOMSRO-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010255
CCCCc1cc2c(o1)CCC[C@@H](C2)OC	PC-id_101525612	222.323	XZXTZIHQLOMSRO-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010256
o1c2CCCCCCCCCC(O)c2cc1	PC-id_13414169	222.323	LACFRYLAMIHNLX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010257
CC1CCCn2c(C1)c(c(=O)[nH]2)C(C)(C)C	SCHEMBL19429598	222.327	DNDWSEBNFYJMTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010258
CCC1CC(C)(C)COCc2n1cnc2C	PC-id_143209095	222.327	CWRHTSZGPVNUTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010259
CC(C)CCNc1noc2CCCCCc12	EMOLS-id_207622524,MCULE-2416567364	222.327	BQMXBVSHIAWAGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010260
CCC(C)CNc1noc2CCCCCc12	MCULE-9597748587,EMOLS-id_207622554	222.327	UBAILIAHKLPDIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010261
CC(CCn1cc2c(c1)CCCCC2N)O	PC-id_104318945	222.327	OKYJHWGMMIEFKB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010262
CC(CCn1nc2c(c1O)CCCCC2)C	EMOLS-id_315287151	222.327	AEGBFTSHXXYAAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010263
CC(C)(C)n1nc2CCCCCCc2c1O	EMOLS-id_337914624	222.327	MQVSFDWVPHBSFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010264
CC(C)Cn1nc2CCCCCCc2c1O	EMOLS-id_337914880	222.327	YSWDAFUBHIHLLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010265
CC(C)n1c2c(CCCCCCC2)c(=O)[nH]1	PC-id_137483080,SCHEMBL20725318	222.327	HZDXRHBMFMXMGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010266
CCC(n1nc2c(c1O)CCCCC2)CC	EMOLS-id_315350237	222.327	DITVFPXLAOQNBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010267
CC(CNCc1noc2c1CCCCC2)C	PC-id_80462591,EMOLS-id_315246210	222.327	GALZYHUHXKNYGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010268
CCCNCc1noc2c1CCCCCC2	EMOLS-id_314315349,PC-id_80463113	222.327	SUTLVBIAWJXZHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010269
CC(NCc1noc2c1CCCCC2)(C)C	PC-id_80462351,EMOLS-id_314434909	222.327	CKELEQBQRNEJHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010270
CC(NCc1noc2c1CCCCCC2)C	EMOLS-id_314833084,PC-id_80462071	222.327	IJGQHTAOPDWQRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010271
CCOCCn1cc2c(c1)CCCCC2N	EMOLS-id_315117194,PC-id_83207738	222.327	YNGMKRFRCAHEMG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010272
CCOCn1cc2c(c1)CCCCC2NC	EMOLS-id_315979259,PC-id_83208350	222.327	ZZKCZAYPDIGXFT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010273
CN(CCn1cc2c(c1)CCCCC2O)C	PC-id_83208640,EMOLS-id_315763613	222.327	XESUPUKFWMAEAW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010274
COCCCn1cc2c(c1)CCCCC2N	EMOLS-id_315761561,PC-id_83209125	222.327	CLUCMEQFTINUSG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010275
COCCn1cc2c(c1)CCCCC2NC	EMOLS-id_315764126,PC-id_83209088	222.327	QLDYFPQNXIWVRC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010276
COC(Cn1cc2c(c1)CCCCC2N)C	PC-id_104168677	222.327	VZPMTQXRMHSIJB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010277
COCn1cc2c(c1)CCCCC2NCC	EMOLS-id_260112998,PC-id_83213004	222.327	FQRCGPTVNCKKTK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010278
o1nc2c(c1C(C(C)C)CN)CCCCC2	PC-id_83890841	222.327	TXXBTCFTOXFNHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010279
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O=c1n([nH]c2c1CCCCC2)CCC(C)C	PC-id_66020266	222.327	IJPCNXOOXAWLDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010281
O=c1n([nH]c2c1CCCCC2)C(CC)CC	PC-id_66021705	222.327	YDPCFJOBPKXMLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010282
OCCCCn1cc2c(c1)CCCCC2N	PC-id_83208434,EMOLS-id_315762331	222.327	ZWVJOCDLUPWZOJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010283
OCCCn1cc2c(c1)CCCCC2NC	EMOLS-id_314366560,PC-id_83208337	222.327	JEQZAQJNALXITO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010284
OCC(Cn1cc2c(c1)CCCCC2N)C	PC-id_116493750	222.327	UWDJUGJROMHCDF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010285
OCCn1cc2c(c1)CCCCC2NCC	PC-id_83208361,EMOLS-id_315764639	222.327	DRVQCLYHSXSEMP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010286
OC(Cn1cc2C(NC)CCCCc2c1)C	PC-id_83208177	222.327	SGFNBFOYNXRRQI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010287
O(C(n1nc2c(CCCCCC2)c1)C)CC	PC-id_86238308	222.327	VVKIKAKKMBGQRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010288
O(C(n1ncc2c1CCCCCC2)C)CC	PC-id_86238307	222.327	RWJKARCXFKPNKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010289
c1(C(C(C)CC)N)nnc2CCCCCn12	PC-id_43142831,MCULE-4612079360	222.33	RJDBVEMMCJBBOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010290
c1(C(C)(C)NCC)nnc2CCCCCn12	PC-id_62818858,MCULE-5951461699,EMOLS-id_39400233	222.33	AJBXOTKYIWSKPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010291
c1(CN(CC)CC)ncn2CCCNCc12	MCULE-4894297882,ZINC22_390619833	222.33	FHNWHWGYIXGUCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010292
CC1=[N+](c2c(sc(c2C(=NC1)C)C)N)C	PC-id_91358844	222.33	CONVGXCZEOANED-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010293
Cc1nn(c2c1NCC(CN2)CC(C)C)C	EMOLS-id_315398886,PC-id_136298091	222.33	OYZOLFSYSBJMHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010294
Cc1nn(c2c1NCC(C(N2)(C)C)(C)C)C	PC-id_136278935,EMOLS-id_314313098	222.33	KICYKEQOKBVELW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010295
Cc1nn(c2c1NCCC(N2)C(C)(C)C)C	PC-id_136316722,EMOLS-id_315746932	222.33	VQPLUELJIMJEHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010296
CCC1(CC)CNc2c(NC1)c(nn2C)C	PC-id_137012530,EMOLS-id_315662467	222.33	QGCXHWBORSVESG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010297
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CCc1nn(c2c1NCCC(N2)C(C)C)C	EMOLS-id_314277887,PC-id_136316714	222.33	DKFNKPCVPAZIEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010300
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CCc1nn(c2c1NCC(CN2)(C)CC)C	EMOLS-id_315739730,PC-id_136322355	222.33	XHWBWGXJJMLESD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010302
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CCCC1CCNc2c(N1)n(C)nc2CC	PC-id_136316686,EMOLS-id_314405302	222.33	VPTBIEMGWZEQTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010305
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CCCc1nn(c2c1NCC(CN2)(C)C)C	PC-id_137012514,EMOLS-id_315661967	222.33	RTWKSOPHOYWZNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010313
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CCC(Cc1nnc2n1CCCCC2)CN	EMOLS-id_315023079,PC-id_81073313	222.33	QVPQRQFTMRXHNL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010316
CCCC(c1nnc2n1CCCCC2)CN	PC-id_65221281,EMOLS-id_41101027	222.33	LIVJDYVJSLDTMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010317
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CCCC(Cc1nnc2n1CCCCC2)N	EMOLS-id_315737463,PC-id_81978732	222.33	FAEUAZWEISVISP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010321
CCCCC(c1nnc2n1CCCCC2)N	EMOLS-id_37659681,PC-id_43470334	222.33	PPOKGQIRUVINDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010322
CC(CCCc1nnc2n1CCCCC2)N	PC-id_82846913,EMOLS-id_314370159	222.33	JIPUTIBISQSDJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010323
CCC(C)CNc1cc2CNCCCn2n1	MCULE-1090332858,EMOLS-id_259828661	222.33	OHNBRCAQAFPNQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010324
CC(C)CCNc1cc2CNCCCn2n1	MCULE-9659422518,EMOLS-id_259828655	222.33	WREZIOHFUAZXBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010325
CCC(CN1CCn2c(CC1)nnc2)CC	CoCoCo_1303466,PC-id_42367349,CoCoCo_1303467	222.33	HEIAUEZIDDWASO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010326
CCCNC(c1nnc2n1CCCCC2)C	EMOLS-id_37389877,PC-id_43426010	222.33	WUWQKBDQRGLKSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010327
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CCC(NCc1nnc2n1CCCCC2)C	PC-id_60837399,EMOLS-id_37876922	222.33	YXJCQBCBFJSNRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010329
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CCN1CC(C)CNc2c1n(CC)nc2C	EMOLS-id_315246978,PC-id_80196077	222.33	LLABKEHXKRZKSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010333
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CC(NC(c1nnc2n1CCCCC2)C)C	PC-id_43426007,EMOLS-id_37389875	222.33	HHXDEBKOAGGNOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010339
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CC(=C)C(c1cc2c(s1)CCCCC2)O	PC-id_115817386	222.346	QWAWMDRLHONDFM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010363
CCCC(=O)c1cc2c(s1)CCCCC2	PC-id_114962247,EMOLS-id_313618532	222.346	BEDNWJBLNPRCQF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010364
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CC1Cc2c(C)sc(c2CC(C1)(C)C)C	SCHEMBL18765080	222.389	YETBRJBBPYZARK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010376
Cc1cc2c(s1)CCCCCCCCC2	SCHEMBL15276752,PC-id_89818801	222.389	YUGGAAXAXSWWKM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010377
CCc1c2CCCCCc2sc1C(C)C	PC-id_68074570,SCHEMBL10239408	222.389	OEWZJVSDELIIQJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010378
CC(c1sc2c(c1)CCCCCC2)(C)C	SCHEMBL11987742,PC-id_57625088	222.389	ISUGACNZRUSGDP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010379
CCCCC[C@@H]1CCCCc2c1ccs2	PC-id_144197482	222.389	VSWZEFMLWMOPBQ-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010380
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[Si](c1occ2c1CCCCCC2)(C)(C)C	PC-id_15054840	222.399	HDWRBYYPQZBWEN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010382
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ClC(=O)c1cc2n(n1)C=CC(C=C2)(C)C	PC-id_144956241	222.671	CDMWJZKXQWMPPY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010384
ClC1=CCC=c2c(=C1)n(C)c(n2)C(C)C	PC-id_142911712	222.714	JJXBTGFMALSMPX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010385
C1=CC=C2C=NC(=C2C=C1)CS(=O)(=O)O	PC-id_160277626	223.03	PQEDHNRPAIOPCN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010386
CC1=CC(C=C2C(=C1)N=C(S2)C)(C)P	PC-id_163611735	223.058	HGMVPSKAZGRSCH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010387
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Brc1cc2-c(c(O)cc2)ccc1	PC-id_85785835	223.066	KKXUNRYXGOYBGE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-010389
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C1CC(=O)NCC2=CN(CC(=O)NC1)N=N2	PC-id_160274715	223.107	QABUKZDBUVXRKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010392
CC(C)N1C=C(C2=C1CCOCC2)C(=O)O	PC-id_154931526	223.121	FLWKASHRFNZOJQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010393
Cc1nn2CC(=O)N(CCc2c1)CCOC	PC-id_164092662	223.132	XHNLIROZZFIOCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010394
CC(C)C(=O)N1CCc2c(CC1)oc(n2)N	PC-id_163813650	223.132	NPLFRNMEUPYDCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010395
CC(=O)COC1CCCCCc2n[nH]nc12	PC-id_164145852	223.132	ZAILZNFWNVXZME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010396
CCC1=CC2=C(S1)CCCCC2CNC	PC-id_152920456	223.139	UIZHRTSQGYHQBY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010397
CCCN1CCC2=C(CC1)SC(=C2)CC	PC-id_161610355	223.139	WUOSOFJBUPCJMS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010398
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CC(C)(C)C1=C2N(CCC(CO2)NC)N=C1	PC-id_161076859	223.168	QBFVZEVLIMLCMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010401
CC(C)(C)C1=C2N(CC[C@H](CO2)NC)N=C1	PC-id_160453718	223.168	QBFVZEVLIMLCMB-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010402
CC1(Cc2c(c(C(=O)O)co2)C(=O)NC1)C	ZINC22_584880223,MCULE-4479820245,EMOLS-id_114922529	223.225	LYXVYRMRZCHSSF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010403
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CCOC(=O)c1noc2c1CCCCC2=O	PC-id_68295481,SCHEMBL12499447	223.225	OHQGKIDJIDADOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010405
CCOC(=O)c1onc2c1CCCCC2=O	PC-id_68294859,SCHEMBL12498389	223.225	MPLJMPNUNAZBFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010406
CCOC(=O)N1CCC(=O)c2c(C1)occ2	PC-id_68409591,SCHEMBL2835727	223.225	RASHHYIHEPVWGX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010407
CC(=O)N1CCCc2oc(cc2C1)C(=O)O	EMOLS-id_331171578	223.225	NOBJYOXXGJNHHD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010408
COC(=O)C1CCCc2c(C1=O)c(C)no2	SCHEMBL3139058,PC-id_68525967	223.225	ZXLSFMSPBNVMPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010409
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c12C(=O)N(CC)CCCn1nc(C(=O)O)c2	MCULE-4629167005,EMOLS-id_31512464,ZINC22_49454663,PC-id_53213599	223.229	HWXOYVMLGCXTCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010417
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CCOC(=O)C1CNC(=O)c2n(C1)ncc2	PC-id_146012751	223.229	NKENVCBFFXYVRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010419
CC(=O)N1CC(Cn2ccnc2C1)C(=O)O	EMOLS-id_331171069	223.229	ZHZVKYRAIPETIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010420
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COC(=O)c1cc2n(n1)CCCN=C2OC	PC-id_57973807,SCHEMBL3129684	223.229	LPKLHAGWGBBVGI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-010424
COC(=O)C1CCc2nnc(C=O)n2CC1	MCULE-2698902607,EMOLS-id_277308932	223.229	ZFSWDKQMQSVTON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010425
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CCOC(=O)c1n[nH]c2c1CCC(OC2)C	PC-id_140764623	224.256	YAAOLCKNGXLTDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010657
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CCOC(=O)c1n[nH]c2c1CC(C)OCC2	SCHEMBL18366123	224.256	CHFBPTPEHFSOLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010659
CCOC(=O)c1n[nH]c2c1CCOC(C2)C	SCHEMBL18366121	224.256	MKTYBZSPHYISQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010660
CCOC(=O)c1n[nH]c2c1C(C)OCCC2	SCHEMBL18366120	224.256	IKJXWOCQRZNNDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010661
CNC(=O)c1cn(c2c1CCOCC2)OC	SCHEMBL20631710,PC-id_137400023	224.256	LJLRDKXXONMLED-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010662
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c12NC(=O)C(COc1cn(C(C)(C)C)n2)N	EMOLS-id_320448797,MCULE-3446374474	224.26	FYTCQSMCCWHFOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010671
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CCc1nn(c2c1NC(=O)C(CN2)OC)C	PC-id_136704082	224.26	GVLXPDDRIFRDGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010673
CC(C)C1NCCCn2c1nnc2C(=O)O	MCULE-2167777366,EMOLS-id_208139805	224.26	YDCFGWDPOZGHCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010674
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o1c2C(CCCCCc2cc1)C(OC)OC	PC-id_10585236	224.296	WTTCWWOHWXCAPM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-010709
C/C=CC=C/Cc1coc2c1C#CC(C=C2)C	PC-id_144601016	224.298	OVYJZEAJIMEWRT-OUPQRBNQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-010710
c12OCCCC(O)c1c(nn2C(C)(C)C)C	EMOLS-id_320450576,MCULE-6738857572	224.299	FQVYAGHPNDCLNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010711
c12OCCCC(O)c1c(nn2C(C)C)CC	EMOLS-id_320453906,MCULE-8033752719	224.299	TWBOZSPPEJNLQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-010712
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CC(C)(C=Cc1ccc2-c(ccc2)cc1)N[O-]	PC-id_87882126	226.294	OROUVXYRJOVODR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011068
CC(C)(C=Cc1ccccc2-c1ccc2)N[O-]	PC-id_87882159	226.294	LMLSORZGYSZHDU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011069
CCOC(=O)c1cnn2c1CCCSC2	PC-id_142827189	226.295	BDFZHWTWGIRTCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011070
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CCOC(=O)c1nc2c(CCNCC2)s1	EMOLS-id_301145585,PC-id_121229175,ZINC22_306130349,MCULE-6187245685	226.295	JDDPNLYPUACRJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011072
CCOC(=O)N1CCc2c(CC1)ncs2	PC-id_58117542,SCHEMBL550104	226.295	ZQOYYOZHWSAXEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011073
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NC(=O)N[C@@H]1CCC[C@H](c2c1ccs2)O	PC-id_22798611,SCHEMBL11535138	226.295	SWLFQTZVRMAHOD-HTQZYQBOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011077
NC(=O)N[C@@H]1CC[C@H](Cc2c1ccs2)O	SCHEMBL11571259,PC-id_70612789	226.295	FOTHQGCPZUPEDD-HTRCEHHLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011078
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s1c(c2c(CCCN(C2)C)c1N)C(=O)O	PC-id_84016941	226.295	MWEWGFUQPMFHBZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011085
CC(=O)Nc1nc2c(s1)CCN(CC2)N	PC-id_89623778,SCHEMBL15025136	226.299	ATDUTXGAEWOPOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011086
NC(=O)CSc1nnc2n1CCCCC2	EMOLS-id_37185814,PC-id_7877352	226.299	UPJTZVDFAGUJJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011087
Cc1cc(C=O)c2-c1cc(ccc2C)C(C)C	PC-id_639851,CNP0212921,ZINC22_2564968,MCULE-1201798578,UNPD214018,SCHEMBL1101926,CoCoCo_3807637,EMOLS-id_930421	226.314	CDVRGGMPPUFSFH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011088
CC(c1ccc(c2-c(c1)c(cc2)C(=O)C)C)C	PC-id_102042063	226.314	JXSZLSLRZYWKJO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011089
C=C/C=C/1C(=Cc2c(C=C1C)occ2C)CC	PC-id_141772704	226.314	WLZFMLGGWYNCRW-AUWJEWJLSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011090
C/C=Cc1oc2c(c1C=C)C=CC(C=C2)(C)C	PC-id_143456700	226.314	SZKCLQRPLAUVPA-ALCCZGGFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011091
CC(C(C(=O)C)C)c1ccc2-c(cc1)ccc2	PC-id_102342917	226.314	NVEYMZRLRRVILC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011092
CC(=O)c1cc(c2-c1ccccc2)C(C)(C)C	PC-id_101074828	226.314	LUSNNMIDTWQSNR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011093
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CC(=O)CC(c1ccc2-c1ccccc2)(C)C	PC-id_140174625	226.314	VEIYOKRQKXMACU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011095
CC(=O)CC(c1ccc2-c(cc1)ccc2)(C)C	PC-id_101475877	226.314	QAVOPHMHZOJBGR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011096
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O=Cc1c2-c(c(c1)CC)ccc(C(C)C)cc2	PC-id_15639779	226.314	JCLAQXOBIRTOEZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011099
O=Cc1c2-c(c(ccc(c2)C(C)(C)C)C)cc1	PC-id_66556191	226.314	QGOXKLCQGJGLHG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011100
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s1c2c([n+](CCCCC(=O)OCC2)c1)C	PC-id_10402871	226.315	BGMWTWQILJKUKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011105
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C1CCn2c(C(N1)Cc1ccccc1)ccc2	SCHEMBL4047339,PC-id_25215734	226.317	PPQIGYUHHIDXKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011107
C(c1n[nH]c2CCCCCc12)c1ccccc1	EMOLS-id_337935122	226.317	ZGHMRGCNAXHMLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011108
N1(CCCn2c(C1)ccc2)Cc1ccccc1	PC-id_5167425	226.317	ORHGCWADMCRTPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011109
CC(c1pc2c(s1)CCCCC2)(C)C	PC-id_101680226	226.318	QTQQZFXBSXLABD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011110
NC1=NCc2nc(sc2/C=CCS1)N	PC-id_144384281	226.322	PCXLEXOFGBXQLW-UPHRSURJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011111
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CC1C(C(Oc2cscc2OC1C)C)C	PC-id_89857190,SCHEMBL16553045	226.335	CWVHFSQLJWXDJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011114
COCC(c1cc2c(s1)CCCCC2)O	PC-id_115819078	226.335	ABDOLVAYBOVJFX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011115
CC#C/C=Cc1sc2=CC=CCC=c2c1C	SCHEMBL19061548	226.337	BLEPECNLCGGDQH-POHAHGRESA-N	00000000100000000110000000000010000000000000000000000000	31-01-011116
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n1c(CNCCO)sc2CCCCCc12	PC-id_46784954,MCULE-3943607585	226.338	BGIIKCSASNKCHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011118
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c12-c(c(cc1C)C)c(cc(cc2C)CCC)C	PC-id_15652207	226.357	YXXCPCGIDFFOMV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011135
c12-c(ccc1C(C)C)c(c(cc(c2C)C)C)C	PC-id_23246674	226.357	VXSQOZVSXUJXBO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011136
c12-c(c(cc1CC)C)cc(C(C)C)ccc2C	PC-id_12667280	226.357	CQOUSGYMQMOYKN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011137
c12-c(c(c(c1C)C)C)c(ccc(C(C)C)c2)C	PC-id_12822794	226.357	HZKPDZVMBSJOIX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011138
c12-c(cc(C(C)C)c1)c(c(cc(c2C)C)C)C	PC-id_23246671	226.357	COAZUFAXDHCYND-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011139
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c1(c2-c(cc(C(C)C)cc1)c(cc2)C)C(C)C	PC-id_85977555	226.357	KONTWWLATOHDQB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011141
c1(CCCC)c2-c(cc(C(C)C)ccc2)cc1	PC-id_10059606	226.357	CJFZLCGYALCCDI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011142
C(c1c2-c(cc1)c(cc(cc2C)C)C)(C)(C)C	PC-id_85785796	226.357	YCKZBBNUFOANEY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011143
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CCC(c1cc2-c(c(cc1C)C)ccc2C)C	PC-id_141772705	226.357	ZRLXHKDDSLXJAV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011146
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s1c2CCCSCCc2cc1C(=O)C	PC-id_12383590	226.358	DQTJDOVTQZQPGB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011148
s1c(c2c(c1C)C(=O)CCSCC2)C	PC-id_12383582	226.358	DVENBEQQHOGGHE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011149
CC(C1CSc2c(C(=N1)N)scc2)C	PC-id_54425973,SCHEMBL8193120	226.362	WECIZVMVUOQSKE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011150
CCCC1CSc2c(C(=N1)N)scc2	SCHEMBL8193125,PC-id_54185377	226.362	PESVKKPNXCVKSP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011151
CC(NC1=NCCSc2c1scc2)C	SCHEMBL8193122,PC-id_70298888	226.362	UUEIKTDDVWQBTQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011152
CNCc1sc2c(c1)C(=S)NCCC2	PC-id_139776053	226.362	QYQORCPXBXYYOY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011153
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S1C(CCc2c(CC1)c(sc2C)C)C	PC-id_12383589	226.401	LAOPSRYXCNLXDC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011156
c1c2-c(c(c[s+]2)C(=O)[O-])ncnc1Cl	PC-id_137137298	226.64	CXYJVGPDLSUIOA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-011157
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c12C(=O)NCC=Cc1c(c[nH]2)Br	MCULE-2076887026	227.058	HOJIIHVANYSSHW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011171
CNC1=NC2=C(S1)CCN(CC2)C(=O)O	PC-id_154379610	227.073	ZJSGFRYKEGZWIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011172
BrC1=Cc2ccsc2CC=C1	PC-id_145670412	227.121	HEJBJAUIPCEZMQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011173
C1CC2=CN(N=C2CNC1)CC3=CC=CC=C3	PC-id_153839949	227.142	BZILDIVMXRJYAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011174
O=C1CN(N)C(=O)c2c(N1)nc(n2P)C	PC-id_142250148	227.16	YJLKIRZQFWFQPX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011175
C1CC/C=Cc2c(CC1)[se]nn2	PC-id_134885295	227.165	LSLLMZHDKRUCCI-XQRVVYSFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011176
CC1=CC(=C2C=CC(=C2C(=C1)C)CN(C)C)C	PC-id_154099386	227.167	BPGYQUSABYQMPG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011177
O=C(O)c1[nH]c(C(=O)O)c2c1OCCCO2	PC-id_16217737,SCHEMBL17211752,ZINC22_12956274	227.171	OKRDNNPDIXBDDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011178
O=CN1CCCn2c(C1)cc(n2)C(=O)OF	PC-id_144720908	227.192	CFEBOTZVUSXZNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011179
Oc1c2-c(c(cc2C#N)C(=O)OC)cccc1	PC-id_11775901	227.215	LTXBMVUDXLBGSH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011180
O(C(=O)c1c2-c(c(c1)C#N)ccc(O)cc2)C	PC-id_15305858	227.215	ATXAKSYXATWTMA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011181
o1nc2n(C(CCCC2)CC[N+](=O)[O-])c1=O	SCHEMBL6792276,PC-id_10130760	227.217	LBIOBBOTWKFWMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011182
o1nc2n([C@H](CCCC2)CC[N+](=O)[O-])c1=O	PC-id_59923000	227.217	LBIOBBOTWKFWMY-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011183
o1nc2n([C@@H](CCCC2)CC[N+](=O)[O-])c1=O	PC-id_59923009	227.217	LBIOBBOTWKFWMY-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011184
N#Cc1c(NCC(=O)O)nc2-c1ccccc2	PC-id_10421266,SCHEMBL9153821	227.219	WULYTRJRLUWQFW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011185
c1(N(=O)=O)ncn2C(OCC)NCCNc12	EMOLS-id_8334308,TOSLab_8746,PC-id_5214933,MCULE-3327928354	227.221	YFNLWJSMZSZSEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011186
CCO[C@@H]1NCCNc2c([N+](=O)[O-])ncn12	PC-id_92823311,ZINC22_25179078	227.221	YFNLWJSMZSZSEA-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011187
CCO[C@H]1NCCNc2c([N+](=O)[O-])ncn12	PC-id_92823312,ZINC22_25179087	227.221	YFNLWJSMZSZSEA-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011188
CN1COc2c(NCO1)ncn2CC(=O)N	PC-id_122642897,SCHEMBL18175068	227.221	UZXVFYCJUUROEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011189
O=c1[nH]c2-c(c1Cc1n[nH]nn1)ccccc2	PC-id_9991316	227.222	IFCGYZINSFFSQI-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-011190
OC(=O)NC1CSc2n(NC1=O)ccc2	SCHEMBL19031654	227.24	BZTCGVFDGDFDLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011191
s1nc2N(C(=O)C(OC(=O)c2n1)CC)C	PC-id_10775672	227.24	VURZHMYIKWEQPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011192
S1(=O)(=O)CCCCn2c1nc(N=C=O)c2	PC-id_83918118	227.24	XJGNODRHPZOERG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011193
S1(=O)(=O)CCCCn2nc(N=C=O)cc12	PC-id_83918119	227.24	MNFUFBGUNZHNKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011194
N#CC(=C1C=Cc2c(C=C1)sc(=O)[nH]2)C#N	PC-id_101376312	227.242	UAMCKPCELURHCZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011195
N#Cc1c(=O)oc2-c1c(C)ccc(c2)C(C)C	PC-id_102009591	227.259	XWBKLOGNMCCWDU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011196
O=C(N)c1c(cc2-c1ccccc2)CC(=O)C	PC-id_85644979	227.259	JISARLHIQZRTNN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011197
c1ccc(cc1)/C=C
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c1ccc(cc1)/C=C/1COCc2n(C1)nnc2	PC-id_101526004	227.262	GNXWWEHUGVZXIJ-SDQBBNPISA-N	00000000100000110101000000000010000000000000000000000000	31-01-011199
N#CC1=CC=c2c(=CC1(C)C)cc([nH]2)C(=O)N	PC-id_143191826	227.262	NKAPKZOAFCNXEQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011200
O=C(c1nnc2-c1ccccc2)NC1CCC1	SCHEMBL3466484,PC-id_68653684	227.262	RKKLMPOTJREKLD-UHFFFAOYSA-N	00001010100000000111000000000010000000000000000000000000	31-01-011201
C/C/1=CC=Cc2[nH]ccc2/C=CC=C(/C=C1)F	SCHEMBL18900009	227.277	JTGMSVDBGSGDPO-IGEXZNERSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011202
CN1CCc2c(CC1)cc(s2)OC(=O)O	PC-id_69042053,SCHEMBL4433208	227.28	ZZKULGSPSJLSJC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011203
COC1CN(CCc2c1ccs2)C(=O)O	SCHEMBL3302736,PC-id_68587844	227.28	RQPBLWYBMOVBPR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011204
CO[C@@H]1CN(CCc2c1ccs2)C(=O)O	PC-id_68587842,SCHEMBL3302731	227.28	RQPBLWYBMOVBPR-MRVPVSSYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011205
CO[C@H]1CN(CCc2c1ccs2)C(=O)O	SCHEMBL4749248,PC-id_69173324	227.28	RQPBLWYBMOVBPR-QMMMGPOBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011206
COC(=O)Oc1cc2c(s1)CCNCC2	SCHEMBL4435195,PC-id_69043000	227.28	FGEJRQQSJITJIG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011207
O1CCOCCn2cc[n+](CCOCC1)c2	PC-id_101362796	227.28	HNQOAOROGMCZBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011208
O=Cc1sc(c2c1OCCCO2)N(C)C	PC-id_142701756	227.28	GKPRJTYGPUOWRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011209
OCC(=O)c1cc2c(s1)N(C)CCCO2	PC-id_97710241	227.28	VBXDORCSYVMNCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011210
OCC(=O)c1cc2c(s1)OCCCN2C	PC-id_97710242	227.28	SAYMMXDNBMCRTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011211
OC(=O)Cc1cc2c(s1)N(C)CCCO2	PC-id_97710247	227.28	GTHXKYVHWDFTMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011212
OC(=O)Cc1cc2c(s1)OCCCN2C	PC-id_97710248	227.28	QASVAFASQPCPCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011213
OC(=O)Cn1c(=O)sc2c1CCCCC2	PC-id_43286837,EMOLS-id_37606636	227.28	KJPFEGPXMOOZLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011214
s1c2c(CCCNC2)c(OC)c1C(=O)O	PC-id_83668293	227.28	WSFUUZJWVBALTB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011215
s1c(c(c2c1OCCNC2=O)C)C(O)C	PC-id_20676183	227.28	ICVDZWGDYMGIJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011216
CCc1nn(c2c1NC(=O)CCS2=O)C	PC-id_105357026	227.283	ZMDNSDCSWQPXHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011217
CCn1nc(c2c1S(=O)CCC(=O)N2)C	PC-id_105357049	227.283	BIFBMIHCWIGDFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011218
COC(=O)c1nnn2c1SCCCCC2	PC-id_146167040	227.283	QNQYNATWEKONRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011219
O=C1Nc2c(C)nn(c2S(=O)CC1C)C	PC-id_105357187	227.283	WRFNEKYCPGSVAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011220
OC(=O)CSc1nnc2n1CCCCC2	EMOLS-id_37228083,PC-id_16781444	227.283	YPVPYIZGCSXPKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011221
S1c2n(CCCC1)cc(n2)C(N)C(=O)O	PC-id_82662666	227.283	NZEBUVXNWCDJCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011222
S1c2n(nc(c2)C(N)C(=O)O)CCCC1	PC-id_82662667	227.283	ZLFZIRROLFVBJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011223
S1CCCCn2nc(nc12)CCC(=O)O	PC-id_82662668	227.283	DQRZSGOFOKRFBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011224
c1ccc2-c(c(cc2)CN2CCOCC2)cc1	PC-id_3711286,MCULE-2134137210,ZINC22_20247314	227.302	SVEKBBIZLJGEQF-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-011225
c1ccc(cc1)CC1CCc2c(CN1)cco2	PC-id_69181409,SCHEMBL4768294	227.302	ORJKKIYQDJIIHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-011226
c1ccc(cc1)CN1CCc2c(CC1)cco2	SCHEMBL986160,PC-id_19600185	227.302	RFQKAYVCJSNGKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-011227
C1COCCN1Cc1cc2-c(ccccc2)c1	PC-id_134832511	227.302	XNYMHUNRVFVWAG-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-011228
CC(c1ccccc2-c1c(C(=O)N)c(c2)C)C	PC-id_101076915	227.302	ZVGIOWIAVZUMFT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011229
CCCCc1cc2-c(c1C(=O)N)ccccc2	PC-id_139617761	227.302	BSMRRXWOYTVODX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011230
CC(C=Cc1ccc2-c(cc1)ccc2)([NH2+][O-])C	PC-id_87882125,SCHEMBL5711164	227.302	VUVFUDSREAJHBO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011231
CC(C)(C=Cc1c2-c(ccccc2)cc1)[NH2+][O-]	SCHEMBL5711256,PC-id_87882150	227.302	ONLJABNQRITRLY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011232
CC(C)(C=Cc1ccccc2-c1ccc2)[NH2+][O-]	SCHEMBL5711306,PC-id_87882158	227.302	SGCMXASMGRWDGR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011233
CC(C)(C)[N+](=Cc1c2-c(ccccc2)cc1)[O-]	SCHEMBL5711248,PC-id_87882145	227.302	WIBQIBLKJCOKDO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011234
CC(C)(C)[N+](=Cc1ccc2-c(ccc2)cc1)[O-]	PC-id_87882123,SCHEMBL5711161	227.302	GDAZGBFAUZETCC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011235
CC(C)(C)[N+](=Cc1ccccc2-c1ccc2)[O-]	PC-id_87882155,SCHEMBL5711300	227.302	OQLZWHLYMZAZGJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011236
CC(C)CNC(=O)c1cc2-c(ccccc2)c1	SCHEMBL16105693,PC-id_90465432	227.302	RCMUPHMPKCLGBC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011237
CC(C)N(C)C(=O)c1cc2-c(ccccc2)c1	PC-id_90465433,SCHEMBL16105694	227.302	XAKOKYUKJHAPDV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011238
O=Cc1c2-c(c(c1)C)cc(N(C)C)ccc2C	PC-id_20660073	227.302	ITSFZDFNZQHJGU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011239
O=CCN1CCSc2c(C1=O)ccs2	SCHEMBL9040280,PC-id_19881141	227.303	MBMNXQHCWUMMKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011240
S1CCC(=O)Nc2c1sc(c2)C(=O)C	PC-id_15643315	227.303	UUGYZDCOVJEWAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011241
c12CCN(CCc1[nH]nc2)Cc1ccccc1	SCHEMBL1171272,EMOLS-id_76754007,PC-id_57355945,MCULE-2124050164	227.305	PEJXGIXLNJDHNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011242
c1ccc(cc1)CC1CCc2c(CN1)n[nH]c2	PC-id_69206580,SCHEMBL4828422	227.305	YLTBKHMEWKXRLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011243
c1ccc(cc1)Cc1nc2n(n1)CCCCC2	TIMTEC36756,PC-id_1202888,CoCoCo_5204149	227.305	CKVSJXAKZDANMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011244
c1ccc(cc1)Cc1nnc2n1CCCCC2	ZINC22_494244,EMOLS-id_4374633,CK2065999,MCULE-7718688695,CoCoCo_4966904,CHEMBL1373500,STOCK1S-09762,PC-id_657668	227.305	DGKKYIGBOVQCRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011245
c1ccc(cc1)CN1CCCc2c(C1)n[nH]c2	SCHEMBL1171381,PC-id_66930847	227.305	LHHSJRJGCQXOIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011246
c1ccc(cc1)Cn1nnc2c1CCCCC2	PC-id_122379886	227.305	IBTLMFBJMWIUGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011247
c1ccc(Cn2cc3c(n2)CCNCC3)cc1	BindingDB_PC-id_45484727,PC-id_45484727,CHEMBL568005	227.305	TVPVLONBSRPTBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011248
c1ccc(CN2CCc3nc[nH]c3CC2)cc1	ZINC22_114071980,MCULE-4159374932,EMOLS-id_50241897,PC-id_22390902,SCHEMBL550151	227.305	PYAKDZTUKYUQDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011249
C/C=CC=C(C1=NCCCn2c1ncc2)/C=C	PC-id_143686440	227.305	GWKSFYUUGSDHRN-OIVCMARKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011250
N1CCc2c(CC1)cnn2Cc1ccccc1	PC-id_45484741,BindingDB_PC-id_45484741,CHEMBL565536	227.305	ZGIWZGNMDGBKKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011251
N1(CCn2c(CC1)cnc2)Cc1ccccc1	PC-id_16727526	227.305	SKHFMSOIAFJXIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011252
N(=Cc1c2-c(nc1N)ccccc2)C(C)(C)C	PC-id_15141521	227.305	PKEXPBYLFZLORE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011253
OCCCn1c(=O)sc2c1CCCCC2	PC-id_109982987	227.323	IIWXCRQTIBLRMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011254
c1ccc(cc1)C[N@@H+]1CCCn2c(C1)ccc2	GD-id_ZINC15778647,PC-id_26791716	227.325	ORHGCWADMCRTPU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-011255
Cc1cc(C)c2-c(c(cc2)SC#N)c(C)c1	LI_130986,CoCoCo_5424139,NSC104305,PC-id_266448	227.325	MBXPJQHUYHHLOR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011256
c1(C(C)OCC)nnc2CCSCCn12	EMOLS-id_317896125,MCULE-8824432021	227.326	GCVVMUAEDTXGGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011257
CC(CSc1nnc2n1CCCCC2)O	EMOLS-id_37914000,PC-id_60878045	227.326	WGFCOIXWBFYECU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011258
C[C@H](CSc1nnc2n1CCCCC2)O	PC-id_106933277	227.326	WGFCOIXWBFYECU-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011259
C[C@@H](CSc1nnc2n1CCCCC2)O	PC-id_106933278	227.326	WGFCOIXWBFYECU-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011260
CCO[C@H](C)c1nnc2n1CCSCC2	ZINC22_1772812344	227.326	GCVVMUAEDTXGGA-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011261
CCO[C@@H](C)c1nnc2n1CCSCC2	ZINC22_1772812345	227.326	GCVVMUAEDTXGGA-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011262
COCCN1CCCc2c(C1)c(S)n[nH]2	SCHEMBL19413423	227.326	MNDMHXVMGNOXLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011263
CSC(n1nc2n(c1=O)CCCCC2)C	PC-id_143847882	227.326	DFFDRIUOROHSQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011264
OCCCSc1nnc2n1CCCCC2	EMOLS-id_37185810,PC-id_43388628	227.326	FERSOJRPCINZAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011265
CNCC1CCCCCc2c1sc(c2)F	SCHEMBL18723821	227.341	XLGJJCRFSWWFNS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011266
CNC[C@@H]1CCCCc2c1c(C)c(s2)F	PC-id_144197522	227.341	NQLHKGVJDDAZFS-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-011267
CCCn1cc(c2=CCC=CC=c12)C(=C)CC	PC-id_143502555	227.345	JGSFYEBKCBAUSO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011268
N(Cc1cc2-c(c1)c(cc(cc2C)C)C)(C)C	PC-id_13062552	227.345	WLUJXNDXPLVMAV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011269
N(CCc1c2-c(c(cc(c1)C)C)ccc2)(C)C	PC-id_13062548	227.345	KBYDDLQPGGVKKO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011270
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c12ccsc1SCCN(CCC)C2=O	ZINC22_5793357,EMOLS-id_42975018,MCULE-3973879021,PC-id_3825382	227.346	CVTHLOAPDWGWCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011272
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Cc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	PC-id_101231845	228.286	ZHXCWJHMIAOKCP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011335
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COc1cc(c2-c1c(C)cc(cc2C)C)C=O	PC-id_118489035,SCHEMBL17229428	228.286	NGBVNVZYBNZMHZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011339
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C1CCn2c(nnc2NC1)Cc1ccccc1	PC-id_135465847	228.293	VAIPSCHMBHFXOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011376
C1CNc2c(CN1)cnn2Cc1ccccc1	PC-id_137211324	228.293	NZXXRKLZDYVIKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011377
C1CN(CCn2c1nnc2)Cc1ccccc1	PC-id_91184851	228.293	YYWRPVHJTXEBQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011378
C(N1CCCn2ncnc2C1)c1ccccc1	EMOLS-id_316041996	228.293	TZRSQRGBWCBWEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011379
N1CCC(Nc2nc3-c(n2)ccccc3)CC1	PC-id_85672378	228.293	KXNZBBFBOGPBFD-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-011380
N1CC(Nc2nc3-c(n2)ccccc3)CCC1	PC-id_85672405	228.293	CGJINEIRGUPSFF-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-011381
c1ccc2-c(cc1)c(cc2)C[NH+]1CCOCC1	GD-id_ZINC00154489,PC-id_40432391	228.31	SVEKBBIZLJGEQF-UHFFFAOYSA-O	00000010100010000111000000000010000000000000000000000000	31-01-011382
Cc1c[nH]c2c1CN(CCC2)S(=O)(=O)C	SCHEMBL17232652,PC-id_118491636	228.311	SQIKYHZKVOFVCR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011383
CCSCC1CCCCc2n1c(=O)on2	PC-id_23500525,SCHEMBL6792551	228.311	YMNHYRHHNRIQGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011384
Cn1nc(c2CCCCCc12)S(=O)(=O)C	EMOLS-id_337968671	228.311	UKIVCKQIDLNMQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011385
CS(=O)(=O)c1n[nH]c2CCCCCCc12	EMOLS-id_337904160	228.311	NDIUWBUSLHFEOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011386
S1(=O)(=O)CCc2[nH]c(cc2CC1)CCN	PC-id_84792286	228.311	UXRCXXXHQXZNKX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011387
c1ccc(cc1)Cn1ncc2c1CC[NH2+]CC2	GD-id_ZINC45253442	228.313	ZGIWZGNMDGBKKJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-011388
N1(CC[n+]2c(CC1)c[nH]c2)Cc1ccccc1	PC-id_10847022	228.313	SKHFMSOIAFJXIQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-011389
C/C/1=C/C(=C)c2c(C/C(=C/CC1)/C)occ2C	PC-id_144014905	228.329	DTBOOUIEVSBVGC-MVOOLVRYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011390
COc1cc(c2-c1c(C)ccc(c2)C(C)C)C	SCHEMBL17229431	228.329	RVMLMNJNCDINSZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011391
O(c1c2-c(ccc2CCCCC)cccc1)C	PC-id_15602641	228.329	RDMUPBOWNHTQNP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011392
O(c1c2-c(cc(C(C)C)cc1)ccc2CC)C	PC-id_10466335	228.329	GJSCAZLAUPEASP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011393
O(Cc1c2-c(c(ccc(C(C)C)c2)C)cc1)C	PC-id_15503772	228.329	PDVBWCVMJNSQAG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011394
O(C(c1cc2-c(c(cc1)C)ccc2C)(C)C)C	PC-id_14293203	228.329	VXGKUDGBIYUDGK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011395
OCc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_101501666	228.329	CLFXLRSQQYUDBX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011396
OCCc1c2-c(cc(C(C)C)cc1)c(cc2)C	PC-id_11557665	228.329	IKCSTPCYLTYEQG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011397
OCCc1ccc2-c1ccc(cc2)C(C)(C)C	PC-id_100988879	228.329	NLOGUAIOJUREJS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011398
OCCCCc1c2-c(c(cc(c1)C)C)ccc2	PC-id_85604082	228.329	IHAKIOXEAJQFAC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011399
CC/C=Cc1c(N)[nH]c2=CC(C=C(C=c12)C)C	SCHEMBL18888875	228.333	GUWPIBQKSJWLHK-WAYWQWQTSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011400
N(c1ccc2-c(c(nc2C)C)cc1)(CC)CC	PC-id_85653991	228.333	MWPRAOLQPFVFPJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011401
CN1c2scc(C)c2SC[C@H](N)C1=O	EMOLS-id_336485629	228.334	DIHNIOYTYWPHEH-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-011402
O=C1N(C)CC(c2c(C1C)ncs2)S	PC-id_142177764	228.334	SEVDADLSBICQED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011403
C=Cc1c(C=C)sc2c1C=CC(C=C2)(C)C	PC-id_141824391	228.353	DRLJNFBISTZBDE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011404
[n+]1(CCCC)c(c2-c(c1C)ccc(cc2)C)C	PC-id_44190023	228.353	SQVTZMMORSDSLD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011405
CC1(CSCC(c2c1nns2)(C)C)C	PC-id_135049800	228.377	WWMGBZFXORAAOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011406
s1c2CCCCCc2nc1[C@@H](N)CS	PC-id_82680769	228.377	QEIZGSOUQOZIPI-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011407
Cc1c2-c(ccccc2)c(c1[Si](C)(C)C)C	PC-id_134995134	228.405	OZTHCWPJUMCVGO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011408
Clc1n(c2c(N(C(=O)CNC2=O)C)n1)C	PC-id_615072	228.636	BVVKMTLMOGBVJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011409
Clc1n2CCCCCc2nc1CC(=O)O	PC-id_84056871	228.675	PKSRLBMCAHDHNF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011410
Clc1n(nc2CCCCCc12)CC(=O)O	EMOLS-id_41631890,PC-id_66015111	228.675	GSIBXJUIPVXKKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011411
C[C@H]1OCCc2n(C1)c(Cl)nc2C(C)C	SCHEMBL17399943,PC-id_118629863	228.718	DIMXOTSRQULHNQ-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011412
Clc1n2CCCCCc2nc1C(O)(C)C	PC-id_84692302	228.718	ZRJIRMFVKWSLHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011413
c1(C(=O)Cl)cc2c(CCCCCC2)s1	PC-id_46779639,EMOLS-id_29818697,MCULE-2583682285	228.738	ROHVXDURUHBXHM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011414
ClCC(=O)c1cc2c(s1)CCCCC2	PC-id_80146799,EMOLS-id_48602867	228.738	IXAJJSVWWVWLKQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011415
COC(=O)C1=C2C=CC=CC=C2C(=C1)C(=O)[O-]	PC-id_153815653	229.051	DKOCINGMBNRXAV-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-011416
C1CC2=C(NC=C2S(=O)(=O)NC1)C(=O)N	PC-id_153997612	229.052	GJDNSPBRPMIZFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011417
Clc1cc2n(cnc2cc(Cl)c1=O)C	SCHEMBL9335518,PC-id_12826220	229.063	CULAWCLVZZWELC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011418
Brc1c2CCCNC(=O)c2[nH]c1	SCHEMBL5558439,PC-id_69487147	229.074	JCZXLLZBSCZAKV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011419
Brc1c2n(nc1)CCCCC2=O	PC-id_83840149	229.074	ZYDFNDMYLGMXHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011420
Brc1cc2c(CCCNC2=O)[nH]1	PC-id_89793700,EMOLS-id_317763679,MCULE-1867065546,SCHEMBL15243774	229.074	GVANRQYIVWRRCC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011421
Brc1cc2C(=O)CCCCn2n1	EMOLS-id_337799145	229.074	NMSGXSQTPOZOJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011422
Brc1cc2C(=O)NCCCn2c1	EMOLS-id_49266903,PC-id_75525000,MCULE-9575108662	229.074	YNMQXAHMVNPYRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011423
Brc1cc2n(c1)CCCC(=O)N2	SCHEMBL19228460	229.074	PBAOZLJVEPZESZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011424
BrC1CCCc2c(C1=O)cn[nH]2	PC-id_144313247	229.074	RTLMRRVECQMCIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011425
Brc1[nH]c2c(CCCNC2=O)c1	PC-id_53658931,SCHEMBL5553646	229.074	ARVZVOUSOPAYGT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011426
Brc1[nH]c2CCCC(=O)Nc2c1	PC-id_82391122	229.074	KEBUDQRJGHCXEA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011427
Brc1[nH]c2CCC(=O)NCc2c1	PC-id_82391125	229.074	BOJJOKAWROABKT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011428
Brc1[nH]c2c(CNCCC2=O)c1	PC-id_83679552	229.074	JZWCERNMVHWOIL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011429
Brc1[nH]c2CNCCC(=O)c2c1	PC-id_83679521	229.074	UBHXGWDAWVRTPS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011430
Brc1[nH]cc2c1CCCNC2=O	PC-id_82618706	229.074	QDRWFXVODCHAQW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011431
Brc1[nH]cc2CCCNC(=O)c12	PC-id_82618707	229.074	LBWPAPJSCGUZSL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011432
Brc1cnc2CCCCCCn12	EMOLS-id_42767793,ZINC22_67802426,PC-id_53256692,MCULE-5409485263	229.117	CAZAWBMVQUOTOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011433
Brc1n2CCCCCc2nc1C	PC-id_83681525	229.117	FALMACSYSIZOJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011434
Brc1n2c(CCNCC2)cc1C	PC-id_82662834	229.117	VFYYXABJLCIJRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011435
Brc1n(c2c(CCCNC2)c1)C	PC-id_83487089	229.117	WARAXIGDJVWKFV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011436
Brc1n(c2CCCCNc2c1)C	PC-id_83487090	229.117	OJULHQFGLLBTNL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011437
Brc1[nH]c2CCCCNc2c1C	PC-id_82391109	229.117	PAJYZXFIDKJKOH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011438
Brc1[nH]c2CCCN(Cc2c1)C	PC-id_82391112	229.117	MRSQPKVNOQFLPZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011439
Brc1[nH]c2CCN(CCc2c1)C	PC-id_84792524	229.117	VYLFEKCKGKCRNE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011440
BrCc1n[nH]c2c1CCCCC2	EMOLS-id_96528737,PC-id_103027309	229.117	OIFWMHKAHANPLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011441
CC1CNCCc2c1cc([nH]2)Br	PC-id_112484341	229.117	NCOBNZSOVMKBND-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011442
Cc1[nH]c(c2c1CNCCC2)Br	PC-id_96802018	229.117	OAVNGTQFXCRHJJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011443
Cn1nc2c(c1Br)CCCCC2	PC-id_105486180	229.117	BKCAMRWCMJGFER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011444
Cn1nc(c2c1CCCCC2)Br	PC-id_105486179	229.117	AAZOEBLCUXVGPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011445
CC=CC1(C=CC(=C2C(=C1)C=NN2)C(=O)N)C	PC-id_163781768	229.122	MPEHVPZHSYTAKD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011446
[se]1nnc2CCCC(=O)CCc12	PC-id_12447378	229.138	BHGDSMXMHUTFFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011447
CCN1C2=C(CCCCC(C2(F)F)C)N=N1	PC-id_153102588	229.139	VRJCMYFFLKWARL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011448
CC1/C=CC(/C=CC2=C1C=CN2)(C)C(C)(C)C	PC-id_153554030	229.183	KUBBLTTWQCAFEK-LFPVQMOXSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011449
N#Cc1c(=O)oc2-c1ccccc2OC(=O)C	PC-id_121012516	229.188	NGHPLFAHAURSKO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011450
NCC1=c2nc[nH]c2=CC(=CC1)C(F)(F)F	PC-id_142937788	229.202	GRYAJOMNBYSPBJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011451
FC(n1nc2n(c1=O)CCCCC2)C(=O)O	EMOLS-id_314430842,PC-id_81297476	229.208	UTSYUBINLURYAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011452
O(C(=O)c1c2-c(cc1)c(cccc2)C(=O)[O-])C	PC-id_85646906	229.208	NKQJRPOPJCWLRG-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-011453
CN1C(=O)CCCn2c1cc(n2)C(F)(F)C	PC-id_145225096	229.227	OTYWWVLCTUDEKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011454
NC(=O)c1c2-c(c(c1N)C(=O)N)ccccc2	PC-id_121012971	229.235	RVXZGBXUUXIITJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011455
c1(cc2-c(ccccc2)c1)/C(=C(C#N)/C#N)/C#N	MCULE-9409031381,PC-id_1834521,EMOLS-id_4671137,STOCK5S-32728	229.236	BHIFZXRBSUMEGZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011456
c1(ccc2-c1ccccc2)/C(=C(C#N)/C#N)/C#N	SPECS-id_AT-225/NB30461,STOCK1S-57991,EMOLS-id_1951424,PC-id_915090,MCULE-1351551498	229.236	HXSRLVKNIRLNDI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011457
S1(=O)(=O)CCc2[nH]c(cc2CC1)C(=O)O	PC-id_84792705	229.253	WPDHQVZXVARYMJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011458
COC(=O)c1nnn2c1SCCOCC2	PC-id_146167039	229.256	LSYZIYCZVSANTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011459
O=C1CCS(=O)(=O)c2c(N1)c(C)nn2C	PC-id_105357067	229.256	MRMGDGQBCQWCQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011460
S1(=O)(=O)CCCCn2nc(nc12)C(=O)C	PC-id_82662843	229.256	PFVBMVBYGLRQPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011461
N#CC(C1C=Cc2c(C=C1)sc(=O)[nH]2)C#N	PC-id_101376314	229.258	OHIPKYJHEMONRU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011462
ONC(=O)c1nn2c(n1)CN(CCC2)S	PC-id_144264817	229.26	ZRJWBHQKLFZHAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011463
S1(=O)(=O)CCCCn2nc(nc12)C(=N)N	PC-id_83677875	229.26	UNEYWIPGFRVXPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011464
CCC1CCCCc2c(C1(F)F)n(C)nn2	SCHEMBL18665019	229.27	YWZPOIHKEJJJDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011465
CCC1CCCCc2c(C1(F)F)nnn2C	SCHEMBL18653311	229.27	SFUTZLOWTMYVEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011466
CCC1CCC(F)(F)c2c(CC1)n(C)nn2	SCHEMBL18653312	229.27	PQVHYONKDVDSQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011467
CCc1cn2CCCNC(CC(F)F)c2n1	MCULE-4521412071,EMOLS-id_208139643	229.27	GKVOFGMUDGTBIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011468
CC(n1nnc2c1CCCCCC2(F)F)C	SCHEMBL17322926,PC-id_118565722	229.27	ZXVDRUJVXYXWRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011469
CC(n1nnc2c1C(F)(F)CCCCC2)C	PC-id_118565720,SCHEMBL17322924	229.27	WYBKFAWQHJARLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011470
FC(CNCc1n[nH]c2c1CCCCC2)F	EMOLS-id_315648392	229.27	RAUKPRRRGCTOAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011471
Cc1nc2c(o1)C(=CC=C=C2)CC(=O)C(C)C	PC-id_91014112	229.274	AOLKFKWCSVCQPB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011472
CCCc1ccc2-c1cc(ccc2)C(=O)NO	PC-id_141580549	229.274	LIVYIRYSUQISOL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011473
CCOC(=O)c1ccc2-c(cc1)cc(c2)NC	PC-id_102001514	229.274	CYFLSCHDWGVQPI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011474
CNC(C(=O)O)Cc1ccc2-c1ccccc2	PC-id_59475591,SCHEMBL13139745	229.274	JEOINCOJMNZNSJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011475
O=C(c1ccc2-c(cc1)ccn2)OC(C)(C)C	PC-id_141114047	229.274	VQAFVWTUIVOUJD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011476
O=C(c1ncc2-c1ccccc2)OC(C)(C)C	PC-id_141114041	229.274	DNTXCTUIMQJAIJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011477
O(C(=O)c1c2-c(cc1NC)ccccc2)CC	PC-id_56628722	229.274	BMNAQEPHUVBBIZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011478
O(C(=O)c1c2-c(c(CCN)c1)ccccc2)C	PC-id_9991421	229.274	FGRHAVBILXLROW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011479
ON(c1cc2-c(ccc2CCC)ccc1)C=O	PC-id_57192960	229.274	UQBGSOCFWUFFSW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011480
ONC(=O)Cc1cc(C)cc(c2-c1ccc2)C	PC-id_110180341	229.274	SSYSVOGNCSUSNP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011481
c1ccc(cc1)C#Cc1nc2-c(c1)ccccc2	PC-id_102074476	229.276	ZTFCFKYNNNAEAG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-011482
S1CCC(=O)Nc2c1sc(c2)C(=O)O	PC-id_83840192	229.276	KCMQSHYHGNUBSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011483
C1C(COCc2cnnn12)Cc1ccccc1	PC-id_134857949	229.278	XMDZBLKGCPCNPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-011484
CN=CN(C1=Cc2cc[nH]c2C=CC1)CC=O	PC-id_143487599	229.278	TYQOKTRLNGZWTI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011485
O=C(c1c2-c(nc(n2)N(C)C)ccc(c1)C)C	PC-id_14948692	229.278	CTFKQNVIGGKIOA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-011486
S1(=O)(=O)CCc2c(oc(c2)CCN)CC1	PC-id_84792867	229.296	MBRNRAOFXBEOFG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011487
c12CCS(=O)(=O)CCn1nnc2C(C)C	EMOLS-id_106529893,MCULE-8440668893	229.299	KVCYNXGTYXYEOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011488
c1(c(C)nc2CCCCCn12)S(=O)(=O)N	MCULE-1392280750,PC-id_122199027,EMOLS-id_50279336	229.299	PBGFFAHBNUQNBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011489
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)C	EMOLS-id_319038477	229.299	LOLNAKAQUXAIIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011490
CC1CCN(Cc2n1ccn2)S(=O)(=O)C	SCHEMBL13565774,PC-id_70939627	229.299	GGYDPOJUEMJJML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011491
CC1CNc2c(S(=O)(=O)C1)n(nc2C)C	PC-id_105357405	229.299	SZWQPSJVFHDFEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011492
Cc1[nH]nc2c1CN(CCC2)S(=O)(=O)C	PC-id_118882448,SCHEMBL17518075	229.299	GVWRFOJMTFYTSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011493
CCc1nn(c2c1NCCCS2(=O)=O)C	PC-id_105357328	229.299	FKMQXFXKYDOXCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011494
CCn1nc(c2c1S(=O)(=O)CCCN2)C	PC-id_105357334	229.299	WOLHGYPVQJMRAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011495
CCS(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_111004275,ZINC22_125286709,MCULE-4478040637,PC-id_136577015	229.299	RQTUINXNMSIQPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011496
S1(=O)(=O)CCCCn2c1nc(c2)CNC	PC-id_82662865	229.299	FBQFDWRDBLEAML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011497
CCc1[nH]c2c(c1C(=O)C)C=CC(C=C2)(C)C	PC-id_142048691	229.317	YPQSWECMGMJIHQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011498
CCN=Cc1c(CCC)oc2c1C=CCC=C2	PC-id_144220205	229.317	KKSJYTKFMSEMPA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011499
O=c1ccc2c(n(CCCC)c(c2cc1)C)C	PC-id_12264434	229.317	HWCRODFGIXRNSQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011500
CN1CCCSc2c1cc(s2)C(=O)O	PC-id_96601108	229.319	RRHCZZKQEIFNGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011501
CN1CCCSc2c1sc(c2)C(=O)O	PC-id_96601109	229.319	QDYGVXGPLRXCMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011502
OC(=O)c1c(N)sc2c1CCCSC2	SCHEMBL8199267,PC-id_70300808	229.319	MFYCZAZIVORQLS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011503
Cc1c2C(=NC3CCC3)CCC=CCc2n[nH]1	PC-id_136641650	229.321	UREVWVZUHFBQJA-UHFFFAOYSA-N	00001000100000000111000000000010000000000000000000000000	31-01-011504
C=C/C(=CC(=C)C)/c1n[nH]c2c1CNCCC2	PC-id_145116766	229.321	VPNXRTCBSWYZMD-DHZHZOJOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011505
C[C@@H](C1CC1)NC1=c2c(C)n[nH]c2=CC=CC1	PC-id_144055366	229.321	RRBNTTKDVSTTKA-VIFPVBQESA-N	00100000100000000111000000000010000000000000000000000000	31-01-011506
Cc1c(sc2c1C=C=CC=C2)C=CCCN	PC-id_90975191	229.341	DVLGOWWCNWSABL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011507
CC/C=Cc1c(C=N)sc2c1C=CCC=C2	PC-id_134409490,SCHEMBL20041431	229.341	RCNDRBDMFDMWNJ-YTPXHGLMSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011508
CCC1NCCc2c(C1)n(S)c(n2)S	SCHEMBL18408475	229.365	OHNKDSLEIRZHQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011509
S(c1n2CCCCCc2nn1)CCS	EMOLS-id_107523029,PC-id_80040379	229.366	USOVTPUEXGCDEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011510
s1c2CCCNC(=S)c2cc1SC	PC-id_85717829	229.385	OEJAILUDRDKSNE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011511
s1c2SCCNC(=S)c2cc1CC	PC-id_85717691	229.385	CRYNUGRXNPCXKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011512
S1CC(NC(=S)c2sccc12)CC	PC-id_53661798	229.385	ATUGEHXWAYJGSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011513
C1CC(=O)Nc2nc(c(n2C1)Cl)C(=O)O	PC-id_137232207	229.62	PMAXEFYDILLALQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011514
[O-][N+](=O)C1=C(Cl)C=Cc2c(C1)nsn2	PC-id_141999019	229.644	QMWICYXSOBENBZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011515
ClCOC(=O)N1CCCc2c(C1)cn[nH]2	MCULE-3999878193	229.663	HETMWSTWSOFZNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011516
CN1CCCn2c(C1)c(Cl)c(n2)C(=O)O	PC-id_144720732	229.663	CVMJCWZWDXZIBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011517
Clc1n2CCCCCc2nc1C(N)CO	PC-id_84057123	229.707	XEKGCQAJZQEGBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011518
Clc1n2CCCCCc2nc1C(O)CN	PC-id_84057124	229.707	KUOBNNJSRFAEJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011519
ClCCCn1nc2n(c1=O)CCCCC2	SCHEMBL9381651,PC-id_15105342,EMOLS-id_107804202	229.707	HNFRNNLSIRVRFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011520
ClCCc1cc2c(s1)CCCC(=O)N2	SCHEMBL8917940,PC-id_21472012	229.726	SKMVGLDXVHBUAF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011521
ClCCc1cc2c(s1)C(=O)NCCC2	PC-id_21471776,SCHEMBL8918437	229.726	FLDJVNLYEALKPS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011522
ClCCN1C(=O)CCCc2c1ccs2	EMOLS-id_114775800	229.726	GXCGKBUCAIIXQS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011523
s1c(C(=O)CCl)nc2CCCCCc12	MCULE-7179369726,PC-id_71670505	229.726	MEBVQNHWABBHQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011524
Clc1sc2C(C(C)C)CCNCc2c1	PC-id_83692344	229.769	GJKAGIOMMRHFMS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011525
Clc1sc2c(C(NCCC2)C(C)C)c1	PC-id_83692345	229.769	ODVVVHCJXKYGQH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011526
NCc1c(Cl)sc2c1CCCCCC2	EMOLS-id_114776288,PC-id_114748575	229.769	YZLDFTYACJHHOA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011527
FC1=CCc2c(C(=C1)Br)n[nH]n2	PC-id_143457415	230.037	DLLWMTQTCURELR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011528
Brc1cc2-c(ccc2CCO)ccc1	PC-id_85915657	251.119	GRJPOJJHXFVJQG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015552
Brc1cc2c(CCCNC2=O)o1	EMOLS-id_276805612,MCULE-9522282687	230.059	YBLQELIDJVTXAV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011529
Brc1[nH]c2CCOCC(=O)c2c1	PC-id_82390979	230.059	RGFBQDYQFVDWNU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011530
Brc1oc2c(CCCNC2=O)c1	PC-id_82390971	230.059	DBCXIFNDPKSVSQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011531
Brc1oc2CCC(=O)NCc2c1	PC-id_82390976	230.059	NMMSBMUZSGYVLY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011532
Brc1oc2c(CNCCC2=O)c1	PC-id_83679551	230.059	JTBAFEMVZLSKHZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011533
Brc1oc2CCNC(=O)Cc2c1	PC-id_84693226	230.059	ZEGOUTBZNQRDLL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011534
Brc1oc2CNCCC(=O)c2c1	PC-id_83679529	230.059	XXWBVDSMJRUGIG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011535
Brc1occ2c1CCCNC2=O	PC-id_82618996	230.059	IYYDZKKUFDAYHX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011536
Brc1occ2CCCNC(=O)c12	PC-id_82618997	230.059	RJYXKYUZYJQVSN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011537
Brc1cc2CCNC(=O)Cn2n1	PC-id_135343094,EMOLS-id_317749584,MCULE-8898762950,SCHEMBL20517433	230.062	JGPKEAXWRNIQLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011538
C1CNc2c(cn[nH]2)C(=O)C1Br	PC-id_137128616	230.062	OCEKWXAIKBHNHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011539
O=C1CCCn2c(N1)ncc2Br	PC-id_105487422	230.062	LVTYQXPRLNNGTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011540
CC1(CCC2=C(C=C1)OC(=C2)C(F)(F)F)C	PC-id_148857721	230.092	OYRWJGQWSJMUAX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011541
CC1=CC(=Nn2cc(nc2C1)CCl)Cl	PC-id_91505431	230.094	QLFXNBVPQVVEKU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011542
Brc1n(c2c(CCOCC2)c1)C	PC-id_83487158	230.102	LWNRMVBCRRTVJJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011543
Brc1oc2CCCN(Cc2c1)C	PC-id_82390960	230.102	QAQBVBOZVACZCL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011544
Brc1oc2C(CCNCc2c1)C	PC-id_83692356	230.102	JHUQUUMUJFASRH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011545
Brc1oc2c(C(CNCC2)C)c1	PC-id_82390952	230.102	URWXWQUIWWTFIO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011546
Brc1oc2CCN(CCc2c1)C	PC-id_82390961	230.102	REDXXLCDBOUCEL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011547
Brc1oc2c(C(NCCC2)C)c1	PC-id_83692357	230.102	CELQHWDHIGIMDE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011548
Brc1oc(c2c1CCCNC2)C	PC-id_82619029	230.102	ZMMCZFHUZNDHGI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011549
BrCc1noc2c1CCCCC2	EMOLS-id_96533288,PC-id_80463262	230.102	XMNBMFNNNWNVAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011550
CC1COCCc2c1cc([nH]2)Br	PC-id_112484171	230.102	QZRWEHKNPOIQME-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011551
Brc1c2n(nc1C)CCCNC2	PC-id_83894057	230.105	HCHAFNHEPVYATD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011552
Brc1c2n(nc1C)CCNCC2	PC-id_83894056	230.105	NAMRMMOISXYZMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011553
Brc1n2CCN(CCc2cn1)C	PC-id_83894052	230.105	YICGIUVWEDGVQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011554
CN1CCc2cc(nn2CC1)Br	PC-id_135343113,SCHEMBL20517452	230.105	LYLGSHHCDQHIMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011555
Nc1[nH]c(c2c1CCCNC2)Br	PC-id_98762196	230.105	LKGPNXNJIQCXHV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011556
Nc1[nH]c(c2c1CNCCC2)Br	PC-id_98762195	230.105	GGEAAKLHXWPAPL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011557
Brc1cc2c(s1)CCN=CC2	PC-id_143164827	230.125	TYQCBYYCWDTCGP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011558
CC=CC1(C=CC(=C2C(=C1)C=[NH+]N2)C(=O)N)C	PC-id_163781767	230.129	MPEHVPZHSYTAKD-UHFFFAOYSA-O	00000000100000000111000000000010000000000000000000000000	31-01-011559
C/C/1=CC(=O)C2=C(CC(=CCC1)C)OC=C2C	PC-id_153274529	230.131	XVOHELPNOXGRBQ-XRZHMTSOSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011560
CC1/C=CC(/C=NC2=C1C=CN2)(C)C(C)(C)C	PC-id_153553948	230.178	CFLSHMDMGGQQBK-YXNSXFCHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011561
FC(OC1=Cc2n(C)cnc2C=CC1)(F)F	PC-id_143306662	230.186	CBCJITJGKVNPNF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011562
[se]1n[n+](c2CCCCCCc12)C	PC-id_639963	230.189	PLFKAVRBQWXVQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011563
[se]1[n+](nc2CCCCCCc12)C	PC-id_639966	230.189	ZSDRSWQMSTZIPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011564
c1(P(=O)(O)O)n(C)c2c(CCCCC2)n1	MCULE-4514502396,EMOLS-id_49837928,PC-id_99988219	230.201	WJXLZALVXCBFHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011565
COC(=O)c1cc(c2-c1ccccc2)C(=O)O	PC-id_142671277	230.216	DKOCINGMBNRXAV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011566
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CNC(=O)c1cc(c2-c1ccccc2)[N+](=O)[O-]	PC-id_139996499	230.219	LGWKVUIGLNCVCC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011568
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c12-c(ccccc1)c(cc2SC#N)N(=O)=O	PC-id_4517428,MCULE-6097923165,SCHEMBL3414285	230.243	YPYXEKNGAIHKJC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011570
N#Cc1c(C)[nH]c2=CC(=CCC=c12)[N+](=O)OC	PC-id_143184809	230.243	ZZDJJMXNQCRQCK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011571
CC(C)(C)C(=O)c1c2-c(ccccc2)oc1=O	PC-id_134897035	230.259	RJKQBUIONZYOGF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011572
FSn1nc(c2c1CCCCC2)C(=O)O	PC-id_144567296	230.259	JHZWFKPQNLDXQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011573
o1c2-c(c(c1=O)C(=O)C)cccc(C(C)C)c2	PC-id_85599813	230.259	JDTXUOCPTRVDCD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011574
o1c2-c(cc(C(C)C)ccc2)c(c1=O)C(=O)C	PC-id_14545191	230.259	GLSQZLQDBBBZPO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011575
o1c2-c(c(C(=O)CC(C)C)c1=O)ccccc2	PC-id_71420587	230.259	YESURMWYVATJKB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011576
O(c1c2-c(c(OC(=O)C)c1)ccccc2)CC	PC-id_10775800	230.259	DREIWEYNTYZUIP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011577
O(c1c(c2-c(c1)ccccc2)C(=O)OCC)C	PC-id_14116445	230.259	JAYLPVXDYWZROF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011578
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OCCc1c2-c(c(c1)C(=O)OC)ccccc2	PC-id_10036820	230.259	IOZPEFCAMWIAOD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011581
CCOC(=O)c1ccc2-c1ccccc2NN	PC-id_102043364	230.262	AVCUEZGNBRAGNR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011582
CNC(C(=O)O)Cc1cnc2-c1ccccc2	SCHEMBL13139746,PC-id_59475588	230.262	HHQOTBMBPURAHU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011583
O=C1c2c(CCCC1)cn(c2)Cc1conc1	PC-id_83207283	230.262	JOCGPTMDTQPQJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011584
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O=c1nc2-c(n1CC1CCCO1)ccccc2	EMOLS-id_319150548	230.262	BNYKTZMESYCGMJ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-011586
O=c1nc2-c(n1CC1(C)COC1)ccccc2	EMOLS-id_319106077	230.262	XLCKOCAGUCOHLO-UHFFFAOYSA-N	00001010100000000111000000000010000000000000000000000000	31-01-011587
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COC(=O)c1c2CCOCCn2c(n1)Cl	SCHEMBL15969589,PC-id_90355248	230.648	MBDXJQUMUDGKKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011652
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OB(n1c2CCC=CC(=O)c2c(c1)C(=O)C)C	PC-id_59059683	231.055	LMFOIQGMWMYZHC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011663
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BrC#Cc1cc2-c(c1)ccccc2	PC-id_12122193	231.088	WMRLPVVNJBWFKS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011665
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CC1CCOc2c(Br)cnn2C1	EMOLS-id_324312931	231.09	OVENPSHLFJOSCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011668
CCOC(=O)C1=C(NC2=C1C=CC=CC2=O)C	PC-id_164025953	231.09	VDQFWSNRDGNLAD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011669
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[se]1nnc2CCCCC(O)Cc12	PC-id_11009789	231.154	VKPXMTMMWWKOIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011684
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[se]1nnc2[C@H](O)CCCCCc12	PC-id_641600	231.154	BLMTZBROUHLTAE-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011687
[se]1nnc2C(O)CCCCCc12	PC-id_78201070	231.154	BLMTZBROUHLTAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011688
O=C1NCCOc2c1nn(c2)CC(F)(F)C	PC-id_141137012	231.199	TYNPKPKUPXPHDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011689
CC(=O)Oc1ccc2-c1ccc(cc2)[N+](=O)[O-]	PC-id_101135351	231.204	XZRWLROQMWERPO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011690
COC(=O)c1cc(c2-c1ccccc2)[N+](=O)[O-]	PC-id_121013467	231.204	DRNRLKUBTXNYPA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011691
Nc1c(C(=O)O)c2-c(ccccc2)c1C(=O)O	EMOLS-id_337893928,MCULE-4339136158	231.204	SOYIWSGGFYHBSQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011692
OC1C(n2nncc2C(O)C(O)C1O)CO	PC-id_85272309	231.206	DJIDGUQBJUQBPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011693
O[C@@H]1[C@H](n2nncc2[C@@H](O)[C@H](O)[C@H]1O)CO	PC-id_10799505	231.206	DJIDGUQBJUQBPY-YQXRAVKXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011694
FC(F)(F)Cn1cc2CCCCC(=O)c2c1	PC-id_83207006,EMOLS-id_314387647	231.214	SNJWGTWWHVXMHO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011695
c1(C(=O)O)nnn2CCS(=O)(=O)CCc12	MCULE-1594886496,EMOLS-id_106529899	231.229	WLLOJFLDOCFOSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011696
OC(=O)c1nnc2CCS(=O)(=O)CCn12	EMOLS-id_277308945,MCULE-8110245696	231.229	LDFDHISIPASMAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011697
CCc1c2-c(n(c1=O)CC(=O)O)ccccc2	SCHEMBL11275635,PC-id_12852673	231.247	NMCDRUQQMMWHRA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011698
CCOC(=O)c1c(OC)nc2-c1ccccc2	PC-id_101063453	231.247	MGWIDNBOKZUVQQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011699
CCOC(=O)Cn1c(=O)cc2-c1ccccc2	SCHEMBL11277508,PC-id_56633212	231.247	BQSDXHNORYVQQI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011700
o1c2-c(cc(C(C)C)ccc2)c(c1=O)C(=O)N	PC-id_85644968	231.247	DSNZPIAKNKZONP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011701
CCNC(=O)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_320333334,MCULE-7616245030	231.251	IWRSDPMWOUHZLN-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-011702
N#Cc1cc2c([nH]1)C(=CNCC2(C)C)C(=O)O	PC-id_68928992,SCHEMBL4141477	231.251	SMQOCLKXNHXGHT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011703
O=C1c2c(CCCC1)cn(c2)Cc1ncon1	EMOLS-id_315762582,PC-id_83208002	231.251	NAPKFSYNXGIYPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011704
O=C(c1ccc2-c(cc1)nnn2)OC(C)(C)C	PC-id_67390829,SCHEMBL2394071	231.251	TTWZMVIBIYFRCS-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-011705
O=C(c1cccc2-c(c1)nnn2)OC(C)(C)C	PC-id_141114052	231.251	QGCJXJAAYXPUGF-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-011706
O(C(=O)c1c2-c(nc1NN)ccccc2)CC	PC-id_13551350	231.251	PZQSOKBJPQMGEY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011707
OC(=O)C(Cc1ccc2-c(cc1)nnn2)(C)C	PC-id_142775200	231.251	SNPNAZKQLYQAIY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-011708
O=C1c2n(CCCCC#N)cnc2NC=NC1	PC-id_10585608	231.254	FPNFRBVHDOWRBE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011709
O=C1c2ncn(CCCCC#N)c2NC=NC1	PC-id_10585607	231.254	VZKVBFSCVXBFFF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011710
CNS(=O)(=O)N1CCCn2c(C1)cnn2	MCULE-2498360095,EMOLS-id_319939853	231.275	TVVJONNZXQINNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011711
c12c(OCC)cccc(=O)c1c(n(C)c2C)C	PC-id_659814,PD117106,MCULE-1953349622,ChEMBL-DNDi_CHEMBL1343718,EMOLS-id_4443538,CHEMBL1343718,STOCK2S-47167,ZINC22_141877	231.29	XXPKVYVZDYHEMD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011712
CCCC(C(=O)c1cc2c(o1)CC=CC=C2)N	PC-id_142090481	231.29	IDBPZMAJFOQJCO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011713
CCOc1cc(C)cc(=O)c2c1c(C)[nH]c2C	PC-id_100987042	231.29	IBTZPCDTZFTLIG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011714
CCOC(=O)C(c1cc2=CC=CCC=c2[nH]1)C	SCHEMBL18213579,PC-id_122676775	231.29	FQKXAXLZHMZOLY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011715
COC(=O)c1cc2=CCC(=C(C=c2[nH]1)C)CC	PC-id_144048432	231.29	ONLGAVSDFAXMQB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011716
O=C(N1CCCc2c(C1)cco2)C1CC=CC1	EMOLS-id_102575040	231.29	LNKRLYIUQAENGL-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-011717
O=C(N1CCCc2c(C1)cco2)C1=CCCC1	EMOLS-id_102883520	231.29	WFBPPSXNNVVXFN-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-011718
n1c2-c(cc1/C=C/c1ccccc1)ccccc2	PC-id_11241729	231.292	MGHHCTRYKWPIHY-VAWYXSNFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-011719
n1c2-c(cc1C=Cc1ccccc1)ccccc2	PC-id_72765711	231.292	MGHHCTRYKWPIHY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-011720
n1ccc(/C=C/c2c3-c(cc2)ccccc3)cc1	PC-id_11458898	231.292	KEAYFIVLHJFCHP-VOTSOKGWSA-N	00000010100000101110000000000010000000000000000000000000	31-01-011721
n1ccc(C=Cc2c3-c(cc2)ccccc3)cc1	PC-id_71376498	231.292	KEAYFIVLHJFCHP-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-011722
N(=Cc1c2-c(cc1)ccccc2)c1ccccc1	PC-id_15514717	231.292	GVODNLXOZUTWEZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-011723
N(=Cc1cc2-c(c1)ccccc2)c1ccccc1	PC-id_12121407	231.292	ILRLDUAKIXZMAN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-011724
C/C=CC1=c2c(CCN(C1=O)C)n[nH]/c/2=C/C	PC-id_144122606	231.294	VFAHHSXHZDYLJH-KNVSICBPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011725
CNC(=O)NCCc1c[nH]c2c1CC=CC=C2	PC-id_143020559	231.294	VRGZGRJACCTZSC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011726
o1nccc1Cn1cc2C(N)CCCCc2c1	PC-id_83209047	231.294	PTOKHPMTBAMVNY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011727
O=c1c2n(nc(c2cccc1)C)CCN(C)C	PC-id_15025748	231.294	WANUMXLQLZAXQM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011728
c1(C(C)n2cccn2)nnc2CCCCCn12	EMOLS-id_337833257,MCULE-4726448024	231.297	ACFYSWHAXCWLDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011729
C1Cn2c(CCC1)nnc2Cn1ccc(C)n1	EMOLS-id_27336224,MCULE-3839206976,ZINC22_36644391,PC-id_45923660	231.297	ZHVXOJYWOUXZNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011730
c1cnn(CCc2nnc3n2CCCCC3)c1	MCULE-4607856154,EMOLS-id_337807106,ZINC22_2356137863	231.297	CJDXLJNLPGZHIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011731
Cc1ccnn1Cc1nnc2CCCCCn12	EMOLS-id_27336076,ZINC22_35655653,PC-id_45602139,MCULE-9141921118,CoCoCo_6788359	231.297	WHWREMNNCHGABA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011732
Cc1cn2CCCN[C@H](Cc3c[nH]cn3)c2n1	MCULE-2506663444,EMOLS-id_208139472	231.297	DXRUKTLUUHNMCA-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011733
C[C@@H](c1nnc2n1CCCCC2)n1cccn1	ZINC22_2356146915	231.297	ACFYSWHAXCWLDY-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-011734
C[C@H](c1nnc2n1CCCCC2)n1cccn1	ZINC22_2356146916	231.297	ACFYSWHAXCWLDY-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011735
CSC=NC(=C)c1nc2=CCC=CC=c2[nH]1	PC-id_143997214	231.317	SEUUNMNALAMPOK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011736
N#CNCc1c[nH]c2c1C=CC(C=C2)(C)S	PC-id_143263067	231.317	WYTYLYDFWNMVOS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011737
O=C1c2c(cn(CC3CCCC3)c2)CCCC1	PC-id_83207013,EMOLS-id_315762325	231.333	HTRQDYHKYMAJDR-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-011738
S1SOCc2c(cn(CCC)c2)CO1	PC-id_16081505	231.335	XWXNHHNVHLWSSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011739
S(=O)(=O)(c1snc2c1CCCCC2)C	PC-id_82390522	231.335	NASLIQLLYFJLTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011740
Cc1c2c(n[nH]1)CCC=CC2=NC(C)C(C)C	PC-id_136647908	231.337	QRDSVBMMJSSDGC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011741
CCCCN(c1n[nH]c2=CCCC=CC=c12)C	PC-id_144552525	231.337	WEVUMNRQSPPFRC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011742
CC(C(NC1=c2c(C)n[nH]c2=CC=CC1)C)C	PC-id_144055105	231.337	CLGSRRLVLBDTTN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011743
CCCNC1CCCCc2c1cn(c2)CC#N	EMOLS-id_315110280,PC-id_83213504	231.337	QOHXEBLBXGENPH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011744
n1(cc2C(N)CCCCc2c1)CCCCC#N	EMOLS-id_315762332,PC-id_83207761	231.337	RCNIVHAHXOCULT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011745
n1(cc2C(NC)CCCCc2c1)CCCC#N	PC-id_83209170,EMOLS-id_315087165	231.337	LPCYOTHBKTXPEQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011746
CCCc1sc2c(c1C=NC)C=CCC=C2	PC-id_144299717	231.356	LJZMHXKJFMGTCK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011747
CCC/C=C/1CCCCc2c1cc(s2)C#N	SCHEMBL6994809	231.356	FNLRZDRIKQWRSZ-IZZDOVSWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011748
CCCC=C1CCCCc2c1cc(s2)C#N	SCHEMBL6994819,PC-id_88072567	231.356	FNLRZDRIKQWRSZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011749
Nc1ccc2-c(cc1)ccc2O[Si](C)(C)C	PC-id_102215208	231.366	RLEZXFXLEJGFPI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011750
Nc1ccccc2-c1ccc2O[Si](C)(C)C	PC-id_102215209	231.366	XMCBDALWKMNBAA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011751
Cc1cc(C)c2-c(c(c1)C)ccc2[S+](C)C	LI_130990,GD-id_ZINC04946553,CoCoCo_5424144,PC-id_4023641	231.376	DIMRPCQZHXDFIJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011752
Clc1c2-c(c(Cl)c1Cl)ccccc2	PC-id_71360823	231.506	WTENQJCEWBPHDJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011753
Clc1sc2c(CC(NCC2)C(=O)O)c1	PC-id_83692506	231.699	JZJATZLASSAYQF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011754
ClCCSc1n2CCCCCc2nn1	EMOLS-id_37644436,PC-id_43445901	231.746	RXJOCSUZUKITAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011755
Clc1sc2CCCN=C(SC)c2c1	PC-id_85717684	231.765	OISZMAVITBTCFN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011756
B/B=N/C1Cn2cc(CC(C1=O)C(=O)O)nn2	SCHEMBL13254574	231.812	DTUQYJSEXHPVHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011757
CC1=NN=C2N1CCN(CC2)S(=O)(=O)O	PC-id_153816473	232.063	IQPFNOLBBZFVBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011758
Brc1oc2c(C(O)CCNC2)c1	PC-id_83679528	232.075	NCEUENMUXYQINZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011759
Brc1oc2C(O)CCNCc2c1	PC-id_83679558	232.075	JWIUHFNUFWASDD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011760
Brc1c2-c(cc1)cc(ccc2)C#N	PC-id_13465571	232.076	POTJHPXZDBEPSI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011761
Brc1cc2-c(c(cc2)C#N)ccc1	PC-id_13465572	232.076	UGPFOSKETRCZRY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011762
Brc1ccc2-c(ccc2C#N)cc1	PC-id_10775912	232.076	YEHJTLQEMWRQQR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011763
BrCc1nnc2CCOCCn12	EMOLS-id_277308879,MCULE-1421910210	232.078	IBSLAXSPAZJVLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011764
CNC(=O)C1=C2CCCCC(=O)C2=C(N1)C=C	PC-id_163940156	232.121	RQHIYBYFKAPLHO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011765
ClC1=Cc2sc(nc2C=CC1Cl)C	PC-id_143726019	232.13	GBIBPANVOYZFQJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011766
CC(C)N1C(=CC=Cc2c(C1=O)n(cn2)C)N	PC-id_164041006	232.132	VQEUCPTZSJYAFS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011767
Brc1cc2CCCNCc2s1	EMOLS-id_324304472,PC-id_82390492,MCULE-5450522013	232.141	LPWQSXQPVYPNPB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011768
Brc1cc2CNCCCc2s1	PC-id_83679212,MCULE-4699487187,EMOLS-id_313091798,ZINC22_84305698	232.141	NDLOBGGONRHMDX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011769
Brc1cc2c(s1)CCCCN2	ZINC22_211711306,PC-id_83823997,EMOLS-id_316740727,MCULE-1955454255	232.141	LFEYYTVROGKFCO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011770
Brc1cc2c(s1)CCNCC2	SCHEMBL2989351,TT-id_D0AJ0O,PC-id_11535969,TT-id_D0AI8S	232.141	MCKWBRANODTGNH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011771
Brc1nc2CCCCCc2s1	EMOLS-id_97268270,SCHEMBL17028600,PC-id_9834551,MCULE-1801964503	232.141	NTZSXLNKZILSFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011772
Brc1[nH]c2c(CCSCC2)c1	PC-id_84795227	232.141	NBPGYZQICFFTIE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011773
Brc1scc2c1CCCNC2	PC-id_82390487	232.141	QOJPOGKOFZCKAV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011774
Brc1scc2CCCNCc12	PC-id_82619605	232.141	GKTVWWXAJNPCJT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011775
CC1CC/C=C(CC2=C(C(=CO2)C)C(=O)C1)/C	PC-id_154702721	232.146	DSKCIJFGYRMPRF-WDZFZDKYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011776
[O-]C(=O)c1cc2occc2cc(c1=O)C(=O)[O-]	PC-id_145921900	232.146	TVJYRMIDNPUBHQ-UHFFFAOYSA-L	00000000100000000110000000000010000000000000000000000000	31-01-011777
CCCN1C2=C(C(=N1)C)C(=C(CCC=N2)C)N	PC-id_153693796	232.169	MMJLPSCADQFLFK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011778
FC(F)(F)C(=O)c1n2CCCCCc2nc1	CoCoCo_5206374,PC-id_3452503	232.202	HULNHMXYQQRBFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011779
Cc1nc2c(s1)NC=C(C=C2)C(F)(F)F	SCHEMBL19427179	232.225	PCMHLETTWPYLJQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011780
FS(=O)(=O)c1cc2C(=O)NCCCn2c1	MCULE-7567553551,EMOLS-id_208133113	232.232	ADUDMIPJTVKSGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011781
o1c2c(c(c1C)C(=O)OCC)ccccc2=O	PC-id_21608174	232.232	XDKCQNZWMWJMEK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011782
o1c2-c(c(c1=O)C(=O)OCC)ccc(cc2)C	PC-id_10561532	232.232	ORLVBPJVFKPCAB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011783
o1c2-c(cc(C(C)C)ccc2)c(c1=O)C(=O)O	PC-id_10059805	232.232	VPBNXEVGMMMEFY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011784
CCOc1nc2-c(n1)c(cccc2)C(=O)OC	PC-id_121002777	232.235	NGAGRBMZVUMYCE-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-011785
CCOC(=O)Cn1c(=O)nc2-c1ccccc2	PC-id_121002435	232.235	HJGNSTMFFTUTOG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-011786
COC(=O)c1cc2n(c1)CCCC(C2=O)C#N	PC-id_70937307,SCHEMBL13560862	232.235	UXRIFUTWJYFDDD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011787
CCn1nc(c2c1CCCCC2)C(F)(F)F	SCHEMBL17066937,PC-id_118357701	232.245	BAGIKSYRVLSEIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011788
FC(F)(F)Cn1cc2C(N)CCCCc2c1	EMOLS-id_315763354,PC-id_83208312	232.245	USBDQNRFGHNICI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-011789
s1c2OCCOCCOCCOc1nn2	PC-id_11579538	232.257	ODDREFCQSWPDLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011790
CS(=O)(=O)N1CCc2n[nH]c(=O)n2CC1	EMOLS-id_49731317,MCULE-8932759999,PC-id_110197873	232.26	UWUGFNIHOOULEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011791
Cc1nc2CCCCCn2c1S(=O)(=O)F	EMOLS-id_208133682,MCULE-2154105653	232.275	DHWGCJWKHDYHTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011792
FS(=O)(=O)c1cnc2CCCCCCn12	MCULE-4250771250,EMOLS-id_208136544	232.275	MEURYVOGPBTOEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011793
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CCOC(=O)c1n[nH]c2c1C=CC(C=C2)(C)C	PC-id_91116395	232.278	JUEQHNVHRYAAEO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011796
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c1ccc(cc1)N=Nc1cc2-c(c1)ccccc2	PC-id_102216964	232.28	VSBVYKQZDYYEOO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-011803
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CC/C(=C(/c1nnc2n1CCCCC2)C#N)/O	ChEMBL-DNDi_CHEMBL1576517,PC-id_135485048,CoCoCo_2593235,CHEMBL1576517	232.282	IUDCNAWTVIASTO-KTKRTIGZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011809
CC/C(=C(/C#N)c1nnc2CCCCCn12)/O	EMOLS-id_45797324,CHEMBL1485244,CoCoCo_2593234	232.282	IUDCNAWTVIASTO-MDZDMXLPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011810
CC#CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320037766,MCULE-1195077910	232.282	ALXWALFPVZAYJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011811
CC#CC(=O)NCc1nnc2n1CCCCC2	MCULE-6232645648	232.282	XSVDOHVASOXQDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011812
C#CCNCC(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_317920123	232.282	OQAQTXBWQPJONM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011813
CCC(=O)[C@@H](C#N)c1nnc2n1CCCCC2	CoCoCo_2593237,PC-id_51404898,ZINC22_4635872	232.282	YEAVSMLHAOISBE-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011814
CCC(=O)[C@H](C#N)c1nnc2n1CCCCC2	ZINC22_4635877,CoCoCo_2593236	232.282	YEAVSMLHAOISBE-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-011815
CCn1nc(c2c1CCC=CC(=C2)N)C(=O)N	PC-id_143113995	232.282	ZLERRYZERGPJFX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011816
o1nc(nc1)Cn1cc2C(N)CCCCc2c1	PC-id_83209017	232.282	MNWMOPDELNGFIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011817
O=C(C(c1n2CCCCCc2nn1)C#N)CC	PC-id_7064233	232.282	YEAVSMLHAOISBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011818
c1cnn(CCc2nnc3n2CCNCC3)c1	MCULE-5524508474,EMOLS-id_337646282,ZINC22_2100483543	232.285	CLDPKMQDXOVNEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011819
CC1CN(Cc2n[nH]cn2)Cc2c(C1)[nH]nc2	MCULE-2856861188,EMOLS-id_320036673	232.285	GYSVOCIZVPDJCY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011820
Cc1cnnn1Cc1ncn2c1CNCCC2	PC-id_97519559,EMOLS-id_44370504,ZINC22_96259476	232.285	MYBWWQLTXIYOEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011821
Cc1nc(N)c2c(c(=N)n1)ncn2C(C)(C)C	PC-id_58226927,SCHEMBL12702620	232.285	OSGOOJFTAYGADG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011822
C(c1nnc2CCCCCn12)n1nc(N)cc1	PC-id_45602157,ZINC22_35655673,MCULE-5163834486,EMOLS-id_27336116,CoCoCo_6788385	232.285	CBWDNHQTPRJTKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011823
C(n1cc(N)cn1)c1nnc2CCCCCn12	PC-id_45602132,CHEMBL4557002,MCULE-6676569700,CoCoCo_6788350,ZINC22_35655644,EMOLS-id_27336062	232.285	NLGKYSAHOKLYJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011824
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C#CCC1(COc2c(OC1)csc2)CC#C	PC-id_143322847	232.298	IQWWFIOCCBIKAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011826
C/C/1=CCc2c(C/C(=C/C(C1)O)/C)occ2C	OSADHI_5718	232.318	KWALLIHRTCHEFS-ATTFBSEUSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011827
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CC1CC/C=C(Cc2c(CC1=O)c(co2)C)/C	PC-id_13118283,OSADHI_5723	232.318	ZLESWHXADLWJPV-YHYXMXQVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011829
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o1c2c(CC(=O)C(CC/C=C(/C2)C)C)c(c1)C	PC-id_10353886	232.318	ZLESWHXADLWJPV-BJMVGYQFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011833
o1c2C(=O)C(CCCC(=CCc2c(c1)C)C)C	PC-id_192088	232.318	BFHPKXLIWLFVOZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011834
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OC/C/1=CCc2c(C)coc2C/C(=C/CC1)/C	UNPD162898	232.318	OFGSMCKPLONCAV-OCQZDXRCSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011839
OC/C/1=CCc2c(occ2C)C/C(=CCC1)/C	CNP0178600	232.318	OFGSMCKPLONCAV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011840
c1(c2-c(cc1)cc(ccc2)C)Cc1ccccc1	PC-id_19996674	232.32	IDOGKLYBAHFRNW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-011841
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Cc1cc2-c(c1Cc1ccccc1)ccccc2	PC-id_139771657	232.32	SBTAAXDRZMYNMC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-011843
C(c1ccc2-c(cc1)c(cc2C#C)C#C)(C)(C)C	PC-id_12022936	232.32	DQBSRFRLFMMSIQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011844
Cc1cccc(c1)Cc1cc2-c(c1)ccccc2	PC-id_143166147	232.32	DZPWWWTZGNQIJJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-011845
C(C1C=CC=CC=C1)c1cc2-c(c1)ccccc2	PC-id_85689712	232.32	FJZXFXNOWATYRV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-011846
Cc1n[nH]c2=CC=CCCC(=c12)OCC(C)C	PC-id_91460153	232.321	ITLYDJGQCXAFEA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011847
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Cc1c(c2c(n1CO)C=C=CC=C2)S[AlH2]	PC-id_163828344	233.045	OBMKBRDHTHRUIX-UHFFFAOYSA-M	00000000100000000110000000000010000000000000000000000000	31-01-011866
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CCOC(=O)C1=C2CCC=CC(=O)C2=C(N1)C	PC-id_153617021	233.105	FTWFVVCGHWOPTF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011869
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c1cnn(CCc2nnc3n2CCOCC3)c1	MCULE-8794894235,ZINC22_2356137179,EMOLS-id_337784322	233.27	RFFDLYAAFDMUKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-011923
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O=C(c1c2c(CCCCC2)[nH]n1)N1CCCC1	MCULE-9834116829,EMOLS-id_323251646	233.309	LUOBXYIXEULQDU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-011968
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c12ccc(=S)ccc1c(n(CCO)c2C)C	PC-id_100029132,EMOLS-id_50607589,MCULE-9482260939,ZINC22_218891832	233.329	WONRQOCCGSPMOY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011971
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CNC1CCCCc2c1cnn2C(C1CC1)C	PC-id_113952787	233.353	AUTYSQRXHLCOSV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-011996
n1c(CNC2CCCC2)c2c(CCCCC2)[nH]1	MCULE-1327664197,EMOLS-id_38796937,PC-id_62113180	233.353	LDQPYAPRBXZXRK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-011997
CC1(C)C=Cc2c(C=C1)nc(s2)C(C)(C)C	PC-id_145076323	233.372	YFYVJZCWUCGGIQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-011998
C/C/1=CCCCCc2c(/C=N1)sc(c2C)C	SCHEMBL19097919	233.372	WXCMBWTVFMYFGS-CQWBZUIQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-011999
C#CCC(c1cc2c(s1)CCCCC2)NC	PC-id_114977695	233.372	HWJZCUXPXLUPGI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012000
CC#CCC(c1cc2c(s1)CCCCC2)N	PC-id_115820002	233.372	ONSASRJAOCKWAF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012001
C#CCCC(c1cc2c(s1)CCCCC2)N	PC-id_115859612	233.372	CSPFMTSZGCHCJD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012002
CCCSC#Cn1ccc2c1CCCCC2	PC-id_134920730	233.372	RFOQJXBPZVVSPJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012003
CCNC(c1cc2c(s1)CCCCC2)C#C	PC-id_104995330	233.372	ONGAOXHMTUELDT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012004
[nH]1c2c(C(CCCCCC2)CCCCC)cc1	PC-id_72704482	233.392	MXZOHYNSTWBICP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012005
[nH]1c2CCCCCCCCC(c(c1C)c2)CC	PC-id_75041291	233.392	FMFQBFQHXUVWAW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012006
[nH]1c2CCCCCCC(CCCCC)c(c2)c1	PC-id_72704285	233.392	FCEJPDUFLGBUJR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012007
[nH]1c2CCCCCCCC[C@H](c(c1C)c2)CC	PC-id_44521127	233.392	FMFQBFQHXUVWAW-CQSZACIVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012008
F[B-](F)(F)Cn1nc2n(CCCCC2)c1=O	PC-id_63701796	234.007	RWXCDQLXCFJHAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012009
C1C=CC2=NC(=CN2C=C1C(F)(F)F)Cl	PC-id_155183218	234.017	SBXDPZSZAIHSNZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012010
CC1=Nn2cnnc2NC(=O)C1(Cl)Cl	PC-id_135697349	234.043	LIIXDTDEKUKSFW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012011
CN1CC(=O)N2C=NC(=C2N=N1)C(=O)N=C=O	PC-id_155107430	234.05	PIOFOSIHGCBIJD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012012
CN1C(=O)Cn2cnc(c2N=N1)C(=O)N=C=O	PC-id_163564910	234.05	FUJRTNUIYGGWNL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012013
C1CNC(=O)C2=NN(C=C2N1)CC(F)(F)F	PC-id_153729068	234.073	VRVDYHDNRKSUQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012014
CCOC(=O)/C=C/1CCCC(=O)C2=C1OC=C2	PC-id_161952873	234.089	UHYVRCLYESCENR-CMDGGOBGSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012015
CC(C)(C)OC(=O)N1C2=C(C=CC=N1)NC=N2	PC-id_153881538	234.112	PYUYYZKDWSTMOX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012016
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Brc1nn2CCCCSc2n1	SCHEMBL21064280,PC-id_84697345	234.117	VDONEWGPQYNHFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012020
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c1(C(F)(F)F)nn(c2OCCCC(=O)c12)C	EMOLS-id_320453905,MCULE-6051033136	234.175	HEFSGRTWTZKXMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012027
C1CCn2c(nnc2C(F)(F)F)/C(=NO)/C1	PC-id_136875026	234.178	NGOOXFITLWGHSI-RZNTYIFUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012028
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FC(F)(F)Cc1[nH]c2c(NCCNC2=O)n1	SCHEMBL5747638,PC-id_69552709	234.178	PHKWXHXJVIYQEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012030
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CCOC(=O)c1c(oc2c1ccccc2=O)O	PC-id_135503677	234.205	XVQICUQHCQETIO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-012033
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FC1(P)COc2c(OC1)c(sc2C)C	SCHEMBL19073390	234.228	KOFQSKYTJJJMAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012039
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CC1CN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102937778	234.294	PDCAZPYBUSDTJH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-012062
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CCNC(=O)Cn1cc2c(c1)CCCCC2=O	PC-id_83206265,EMOLS-id_315761300	234.294	UESOEOZGZNOJGD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012066
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o1nc(c2CCCCCc12)C(=O)N1CCCC1	PC-id_20923843,MCULE-6862036051,EMOLS-id_32809234	234.294	FEHAJBMDILDBSC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-012070
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CCOc1cccc(=O)c2c1c(C)sc2C	PC-id_100987045	234.314	HAJRDSUMQLSERB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-012099
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COC(=O)C#Cc1cc2c(s1)CCCCC2	EMOLS-id_40595686,PC-id_64534559	234.314	KKNUBEWVJCSJBY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012101
CSc1c(=O)oc2-c1cc(ccc2)C(C)C	PC-id_101450989	234.314	CIDNZTXALMPXTP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-012102
c1ccc2-c(cc1)cc(c2)C#Cc1cccs1	PC-id_101570260	234.316	NHNHTSUMMSONCV-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-012103
c1(C(=O)NCC#N)cc2c(CCCCC2)s1	EMOLS-id_314110589,MCULE-5156711419,PC-id_60893766	234.317	ARJJLYVJVIPYLC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012104
c1(NC(=O)C)sc2c(CCCCC2)c1C#N	EMOLS-id_936502,ZINC22_4344422,BindingDB-id_77148,BindingDB_PC-id_645308,CHEMBL1389553,STOCK1S-88701,MCULE-1656360492,PC-id_645308,ChEMBL-DNDi_CHEMBL1389553	234.317	QNTQEXMSNPNQKP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012105
CC1C=Cc2c(C=C1)nc(s2)C(=O)N(C)C	PC-id_143585798	234.317	VTZUQXCGVNXMQC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012106
CC[C@@]1(C)C=CC(=c2c(=C1)ncs2)C(=O)N	SCHEMBL8357102,PC-id_67562652	234.317	HHVJZRUNNVMKFQ-LBPRGKRZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012107
CN=CC1CC(=C)CNC(=O)c2c1scc2	PC-id_142853545	234.317	FKBYDQOSTLNJDL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012108
COC(=C)C1(C)C=CC=c2c(=C1)[nH]c(=S)[nH]2	PC-id_143293982	234.317	HGCOMABDQZIQHW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012109
N#CNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_315414349,PC-id_79193789	234.317	PLFTVOLMURBYNP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012110
s1c2=C(C=CC(CC)(C=c2nc1)C)C(=O)N	PC-id_77314330	234.317	HHVJZRUNNVMKFQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012111
c1cc(CN2CCc3nncn3CC2)cs1	ZINC22_14882655,MCULE-5604194915,EMOLS-id_20453059,CoCoCo_1204543,PC-id_26278528,CoCoCo_1204544	234.321	CEQKMGMBSQDZGQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-012112
N#Cc1c(NC(=N)N)sc2c1CCCCC2	PC-id_145946284,CHEMBL4300085	234.321	YHJBJKFOSWLGCU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012113
CSc1sc2c(c1)C(F)(F)CCCC2	PC-id_144012961	234.329	FPEGHWMKHASQRS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012114
CCC(C(=O)c1occ2c1CCCCC2)CC	PC-id_122230274	234.334	HVYJUHKSNBOOCO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012115
c12C=CCCOc1n(nc2C(C)C)C(C)(C)C	EMOLS-id_320453392,MCULE-9500889275	234.337	JFRSPLMOVXHEKZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012116
CC1C(C=C(c2c(N1)onc2)C(C)C)C(C)C	PC-id_137199165,SCHEMBL19249960	234.337	BBPXGCDFXNBLQV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012117
CCCc1nn(c2OCCC=Cc12)C(C)(C)C	EMOLS-id_320451347,MCULE-5935759529	234.337	CLLVBKAIYPGUQJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012118
CC(CC(=O)N1CCCc2c(C1)c(C)c[nH]2)C	SCHEMBL17232672,PC-id_118491655	234.337	ZBOCAPWRBZWKIF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012119
CCC(=O)N1CCCc2c(C1)c(c[nH]2)C(C)C	SCHEMBL17229712,PC-id_118489239	234.337	JHRBSWVZZJJVKJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012120
CNCCCc1c[nH]c2c1CCC(C=C2)OC	PC-id_143596414	234.337	YCMSTOHYIVUXQA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-012121
CN(CCCn1cc2c(c1)CCCCC2=O)C	PC-id_114526138	234.337	JMKWDXNQSWEUSM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012122
NC1CCCCc2c1cn(c2)COCC1CC1	PC-id_113894511	234.337	QXOUHDCJHQIHCB-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-012123
O1C(Cn2cc3C(N)CCCCc3c2)CCC1	PC-id_83208208	234.337	UHJGZGIJURUSRO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-012124
O=Cc1[nH]c2CCCCCCCCCCc2n1	PC-id_63925370,EMOLS-id_40129995	234.337	CRDIOSNNMZXKCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012125
O=C(C(C)(C)C)N1CCCc2c(C1)c(C)c[nH]2	SCHEMBL17232661,PC-id_118491645	234.337	UNSVCOYREHMCKG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012126
O=C(n1c(c2CC(N(C(Cc2c1)C)C)C)C)C	PC-id_20672118	234.337	JSSSPYJNLVTLBQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012127
C1CCCc2c(CC1)c(n[nH]2)NC1CCNC1	PC-id_113618871	234.341	YSBONHDMOUXMEJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-012128
C1CCn2c(CC1)nnc2CNC1CCCC1	MCULE-8501486700,PC-id_60664034,EMOLS-id_37256934	234.341	SOXIPKMDJQRMNB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-012129
c1c(CN2CCCCC2)nn2c1CNCCC2	ZINC22_601013352,MCULE-3819099055	234.341	PCNHHANLKNLINB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-012130
C1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_102568093	234.341	MPWWIKNDVJEKAU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-012131
c1(CN2CCCCC2)ncn2CCCNCc12	MCULE-2841438133,ZINC22_601013420	234.341	XSMYCYIBPDBEEF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-012132
c1(CN2CCNCC2)c2CCCCCc2[nH]n1	MCULE-4662087297,EMOLS-id_39109879,PC-id_62487643	234.341	ZYMHGCGMWFEVON-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-012133
c1nc2n(c1CN1CCCCC1)CCNCC2	ZINC22_306138700,EMOLS-id_50370148	234.341	SERPHXLRFSNECG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-012134
CC1CCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_102595541	234.341	SBHCDUHCORZZJQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-012135
CCCC1(C)C=Cc2c(C=C1)sc(=N)n2C	PC-id_145365742	234.36	XMZCDNOPTMWJKP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012160
Cc1nnc2n1CCN(C/C=C/C(C)C)CC2	CoCoCo_1165404,PC-id_42166790,ZINC22_11786535,CoCoCo_1165402,EMOLS-id_44851399	234.341	NIBFCHILZKEPQI-SNAWJCMRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012136
CC(/C=CCN1CCn2c(CC1)nnc2C)C	CoCoCo_1165403,CoCoCo_1165401	234.341	NIBFCHILZKEPQI-PLNGDYQASA-N	00000000100000000101000000000010000000000000000000000000	31-01-012137
CC(=CCNCc1nnc2n1CCCCC2)C	PC-id_120285290	234.341	DBLIRMSNKAHQCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012138
C=C(C)CNCCc1nnc2n1CCCCC2	EMOLS-id_44524143,PC-id_71898695,ZINC22_84670843,MCULE-8866800785	234.341	ARALCGMIXLZGBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012139
CN1CCCCn2c1cc(n2)CCC1(N)CC1	PC-id_105495288	234.341	YVQIMELJYLBISI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-012140
CN1CCCCn2c1nc(c2)CCC1(N)CC1	PC-id_105495289	234.341	WCIVFEDNABZGAO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-012141
n12CCN(CCc1nnc2C)CC=CC(C)C	MCULE-5902696047,PC-id_74780417	234.341	NIBFCHILZKEPQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012142
n12c(nnc1CCCCC2)CC1(CCC1)CN	PC-id_81160925,EMOLS-id_314899573	234.341	VWIKVKQQGUUDPD-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-012143
n12c(nnc1CCCCC2)CC1CCCNC1	PC-id_62690292	234.341	SKZNRXZUBPJTAE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-012144
n12c(nnc1CCCCC2)CC1CCNCC1	EMOLS-id_42394855,PC-id_79608224	234.341	XUYUVCDOWBQABV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-012145
N1CC(CC1)CCc1n2CCCCCc2nn1	PC-id_81717666	234.341	NACJJLSFCGDLGI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-012146
N1CCC(CC1)Nc1n[nH]c2c1CCCCC2	PC-id_114698097	234.341	YVQXPQHQEMXLSD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-012147
N(C1CCC1)C(c1n2CCCCCc2nn1)C	PC-id_61776785	234.341	WYSRBXQHJPVUDX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-012148
NC1(CCCC1)Cc1n2CCCCCc2nn1	PC-id_64672614,EMOLS-id_40693006	234.341	QTKYCGDCZPBBOX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-012149
N(CC1CC1)C(c1n2CCCCCc2nn1)C	PC-id_43746965	234.341	BTETWMLUGWPNFP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-012150
C=CCC1(CCc2cscc2OC1)CC=C	SCHEMBL14494121,PC-id_89351980	234.357	WGMQADVHMSPOST-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012151
CC#CCC(c1cc2c(s1)CCCCC2)O	PC-id_115779926	234.357	FMKOHYLTSLXXBY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012152
C#CCCC(c1cc2c(s1)CCCCC2)O	PC-id_115799428	234.357	LHWQZPYGVGOYKQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012153
C=CCCC(=O)c1cc2c(s1)CCCCC2	PC-id_114974953	234.357	MFLKBQXVIRRQTD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012154
CC(=C)CC(=O)c1cc2c(s1)CCCCC2	PC-id_115780519	234.357	HTLWYTDTBRLRDI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012155
CC(=CC(=O)c1cc2c(s1)CCCCC2)C	PC-id_115780782	234.357	NOKCVSROAXOUJP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012156
O=C(c1cc2c(s1)CCCCC2)C1CCC1	PC-id_115811511	234.357	CSLDIPLVUPRDIH-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-012157
O=C(c1cc2c(s1)CCCCC2)CC1CC1	PC-id_114974680	234.357	AGTWOZACFKKAFO-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-012158
CC1(N)C=Cc2c(C=C1)nc(s2)C(C)(C)C	PC-id_145076269	234.36	AUGKAURLULFQMX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012159
CCCC1CCCCc2c1c(C#N)c(s2)N	PC-id_143045825	234.36	LAZQQLLMTXOJEY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012161
C#CCC(c1cc2c(s1)CCCCC2)NN	PC-id_105281414	234.36	KZENEMLIKCNCCL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012162
CCCNc1sc2c(c1C#N)CCCCC2	PC-id_63091989,EMOLS-id_39588060	234.36	RDHBIDANNCLNSN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012163
n1c2CCC=CCCC=CCCc2sc1N	PC-id_4595976,ZINC22_254414540,MCULE-3023918831	234.36	KQROCJGCMSQLJO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012164
Nc1nc2c(s1)CC/C=CCC/C=CCC2	ZINC22_5260543,TIMTEC269956	234.36	KQROCJGCMSQLJO-GLIMQPGKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012165
N#Cc1c(N)sc2c1CCCCCCCC2	EMOLS-id_315999714,PC-id_43831467	234.36	RWXLJFUVAWRJIT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012166
N#CC(c1sc2c(n1)CCCCCC2)(C)C	PC-id_103097208	234.36	ZQKZMJANIGJMPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012167
s1c2CCCCCCc2nc1[C@@H](N)CC#C	PC-id_83293043	234.36	NQWZFHHWAZMIIO-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-012168
C1CCC(c2c(C1)sc(c2)S)(F)S	PC-id_134355481,SCHEMBL19981890	234.377	UYLPSFYZZZGORA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012169
o1c(c2CCCCCc2c1)CCCCCCC	PC-id_13780480	234.377	LSVUIYJICZXZJK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012170
Cc1cc2c(s1)C=CC(C(=CC2)S)C=C	SCHEMBL20726531,PC-id_137484217	234.38	GEVZLFJDANYXCE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-012171
C/C/1=C/C(=C)/C=Cc2c(CS1)sc(c2)C	PC-id_135211158,SCHEMBL20366484	234.38	SBVXFBVEDSEBDV-ARSRRCBKSA-N	00000000100000000110000000000010000000000000000000000000	31-01-012172
CC1CCCCC(CCc2ncc([nH]2)CC1)C	PC-id_91064175	234.38	YOAXXWWXFZEBJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012173
Cc1cnn2c1CCCCCCC(CC2)(C)C	SCHEMBL19370465	234.38	IJDWGVCWTXUJQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012174
Cc1sccc2c(cc(c1)C)sc(c2)C	PC-id_144588040	234.38	DXIJOJNBXFQBSE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-012175
CCCCCCn1cc2c(c1)CCCCC2N	PC-id_83207835,EMOLS-id_315763865	234.38	ZZCFLSNEJYGODC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012176
CC(CCCn1cc2c(c1)CCCCC2N)C	EMOLS-id_260297393,PC-id_83209029	234.38	VMUJFWQXMZCERO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012177
CCCCCn1cc2c(c1)CCCCC2NC	EMOLS-id_314868509,PC-id_83208965	234.38	COFGMYVQYPHPBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012178
CCC(Cn1cc2c(c1)CCCCC2N)CC	PC-id_83208861,EMOLS-id_314478194	234.38	DQODSTBQLYBUCT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012179
CCCCn1cc2c(c1)C(NCC)CCCC2	PC-id_83209002,EMOLS-id_314868765	234.38	LSAZYYQKCNRNIJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012180
CCCNC1CCCCc2c1cn(c2)CCC	EMOLS-id_314476122,PC-id_83213505	234.38	YPEQFRBPPSDDIZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012181
Cn1nc(c2c1C(C)(C)CCCC2)C(C)(C)C	PC-id_121387049,SCHEMBL17811625	234.38	YJUVZDYDFPAIOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012182
CNC1CCCCc2c1cn(c2)CCC(C)C	EMOLS-id_315764125,PC-id_83208642	234.38	RLIWOWSTWSIHIF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012183
n1(cc2C(NC)CCCCc2c1)CC(CC)C	PC-id_83208061	234.38	HNWFJSADQQRINV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012184
n1(cc2C(NCC)CCCCc2c1)CC(C)C	PC-id_83207701	234.38	UJHIQTBVTXUJMJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012185
n1(c(c2nc1CCCCCC2)CCC)CCC	PC-id_10977394	234.38	KWMIVSCTNSWIAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012186
n1(CCC(C)(C)C)cc2C(N)CCCCc2c1	EMOLS-id_314475635,PC-id_83208511	234.38	OZVLGNSHDABCHA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012187
n1(CC(CCC)C)cc2C(N)CCCCc2c1	PC-id_83208950	234.38	FJRZCNIRVLUSJZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012188
S(C(SC)c1c2-c(ccc2)cccc1)C	PC-id_13349670	234.38	IEYJAIQOMGWNFC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-012189
S1CC=CCSc2sc(=O)sc12	PC-id_85598521	234.382	UQDXTROGYHDXBH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012190
Cc1sc(c2c1SCSCS2)C	SCHEMBL18932300	234.425	NTZVHXUVIHWXFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012191
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c1(S(=O)(=O)Cl)cnc2CCCCCn12	TIMTEC276901,PC-id_44119805,EMOLS-id_11474220,MCULE-7305442468	234.703	KYMGLAHHJPRFFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012195
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O=Cc1cc(c2-c1ccccc2)Br	PC-id_121216868	235.077	RZBPFKONJPCXKA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-012197
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C1=CC=C(C=C1)CNC2=NC3=CC=CC=CC3=N2	PC-id_154196091	235.111	XBXVTRPPRLTWLG-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-012199
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CCC(=C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319082890	235.286	LXJCMNMSKDKVJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012258
n12CCNCCc1nnc2CNC(=O)C1CC1	PC-id_118760320,ZINC22_299802964,EMOLS-id_68933112,MCULE-3760423675	235.286	SXAYGWBIIRPOPJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-012259
c1ccc(cc1)C#Cc1cc2n(c1)CCCCC2	SCHEMBL14248884,PC-id_71117486	235.324	DPKBOEZWAIKUIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-012284
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CCOC(=O)c1c(sc2c1C=CC=CC2)N	PC-id_90794826	235.302	QRAMMISASMMYAW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-012261
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C1CCCc2c(C(=O)OCC)[nH]c(C)c2CC1	MCULE-1060134871,PC-id_4328826,ZINC22_2519428	235.322	DCKGEWDAJCANSE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012266
CCCCOC(=O)C1CCCCn2c1ccc2	PC-id_20484254,SCHEMBL11195356	235.322	FAURASVLHISJLE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012267
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CCOC(=O)Cn1c(C)cc2c1CCCCC2	PC-id_58564110,SCHEMBL13417154	235.322	GDOJEPKMISUFDW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012274
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CC1OC(O1)CCc1nc2n(c1)CCCCC2	PC-id_71090689,SCHEMBL14160168	236.31	PHDNWDZMBGZMPE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-012509
CCc1nn2CCCCCCCc2c1C(=O)O	EMOLS-id_337770277	236.31	NSFAAUOUIDZNKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012510
CC(C)(C)OC(=O)c1cc2CNCCCc2[nH]1	EMOLS-id_331205119	236.31	KIJACPSVQKLZBE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012511
CCCC(=O)N1Cc2cccn2C[C@@H](OC)C1	ZINC22_575405958	236.31	VVVSGROZUDYIJH-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012512
CCCC(=O)N1Cc2cccn2C[C@H](OC)C1	ZINC22_575405963	236.31	VVVSGROZUDYIJH-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012513
CCCC(=O)N1CC(Cn2cccc2C1)OC	EMOLS-id_55750529	236.31	VVVSGROZUDYIJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012514
CCNC(=O)Cn1cc2c(c1)CCCCC2O	PC-id_83208812,EMOLS-id_315762846	236.31	OZSMNRMKRKSNNG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012515
CC(N(C(=O)N1CCCc2c(C1)cco2)C)C	EMOLS-id_102569866	236.31	MZEGDMSKKZULGK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012516
CCOC(=O)Cn1cc2c(c1)CCCCC2N	PC-id_83209036,EMOLS-id_314458538	236.31	JJFBPXNZZXFLEM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012517
CNC1C(=O)N(CCc2c1occ2)C(C)(C)C	PC-id_23555087,SCHEMBL14171294	236.31	XBQKAHLNYCEWMD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012518
CNC1C(=O)N(CCc2c1occ2)CC(C)C	SCHEMBL14171277,PC-id_23554899	236.31	UNLLGDFABUOTKB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012519
CNC(=O)CCn1cc2c(c1)CCCCC2O	PC-id_83208954,EMOLS-id_314459562	236.31	BMGLXNANISITIX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012520
CN(C(=O)Cn1cc2c(c1)CCCCC2O)C	PC-id_83208897,EMOLS-id_314475610	236.31	VZXWCNAPRSJWNP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012521
COC1CN(Cc2cccn2C1)C(=O)C(C)C	EMOLS-id_55751117	236.31	REQKTCHQWXYJIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012522
COCc1nc2c(n1CC)CC[C@@H](CC2=O)C	PC-id_121463349,SCHEMBL17901966	236.31	FMNRCDONDLQGLJ-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-012523
COCCCn1c(C)nc2c1CCCCC2=O	SCHEMBL17895739,PC-id_121457919	236.31	HQQWQXVQWUAVRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012524
CO[C@H]1CN(C(=O)C(C)C)Cc2cccn2C1	ZINC22_575405282	236.31	REQKTCHQWXYJIJ-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012525
CO[C@@H]1CN(C(=O)C(C)C)Cc2cccn2C1	ZINC22_575405285	236.31	REQKTCHQWXYJIJ-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012526
COC(=O)C1CCc2ncc(C(C)C)n2CC1	MCULE-2233454189,EMOLS-id_106531363,PC-id_137703983	236.31	SSDRXKKYXQNHFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012527
COC(=O)C1CCCc2cnn(C(C)C)c2C1	MCULE-1730561047,EMOLS-id_75547826	236.31	INLSLFKOGXETJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012528
COC(=O)CCn1cc2c(c1)CCCCC2N	PC-id_83208134,EMOLS-id_314886922	236.31	ABOJDNSIQUNQAY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012529
COC(=O)[C@H]1CCCc2cnn(C(C)C)c2C1	ZINC22_575423972	236.31	INLSLFKOGXETJV-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-012530
COC(=O)[C@@H]1CCCc2cnn(C(C)C)c2C1	ZINC22_575423973	236.31	INLSLFKOGXETJV-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012531
COC(=O)Cn1cc2c(c1)CCCCC2NC	EMOLS-id_315763869,PC-id_83207867	236.31	HOAIWZYGHNBQRB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012532
o1nc2n(C(CCCC2)C=CCC(C)C)c1=O	PC-id_59974972	236.31	BKXAYZDRAATZNH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012533
OC1c2c(CCCC1)cn(c2)CC(C)C(=O)N	PC-id_83208242	236.31	FNIYEEAKXLFBML-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012534
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OC(=O)Cc1n(c2CCCCCc2n1)C(C)C	PC-id_83850879	236.31	BPWFGJSDINTVEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012536
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c12OCCCCn1cc(CN1CCNCC1)n2	MCULE-7611709587	236.313	YSTMCJDVOKVPHR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-012538
C1CC(Cc2nnc3n2CCOCC3)CCN1	MCULE-2203937172,EMOLS-id_337671856,ZINC22_2100477563	236.313	BFPXOJIYRFMRFF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-012539
c1c(CN2CCOCC2)nn2c1CNCCC2	MCULE-5598584589,ZINC22_601013348	236.313	NFXVBJXVJMDXER-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-012540
c1(CN2CCOCC2)ncn2CCCNCc12	ZINC22_601013421,MCULE-2720524295	236.313	ZGFOJPABOKUROF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-012541
c1(C(=O)NCC(C)C)cn2c(CCNCC2)n1	MCULE-7621387123,EMOLS-id_331147834,ZINC22_1875250898	236.313	PHPHOYQLEAZESA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012542
c1(C(=O)N)cn2c(CCN(CC(C)C)CC2)n1	MCULE-1467704103,ZINC22_1875248520,EMOLS-id_331146274	236.313	VOJMMRBUBNIFNH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012543
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Cc1nn(c2c1NC(=O)C(CN2)CC(C)C)C	EMOLS-id_315477083,PC-id_136287930	236.313	PPYPORXQGKRIRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012546
Cc1nn(c2c1NC(=O)C(C(N2)(C)C)(C)C)C	EMOLS-id_42159666,PC-id_136291223	236.313	PAXZJRYWPLRNMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012547
Cc1nn(c2c1NC(=O)CC(N2)C(C)(C)C)C	PC-id_136316726,EMOLS-id_315725212	236.313	BXDNNGBBXKAMKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012548
CCC1(CC)CNc2c(NC1=O)c(nn2C)C	PC-id_137012528,EMOLS-id_315631356	236.313	KNBDROKRZRQETL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012549
CCC1(CNc2c(c(nn2CC)C)NC1=O)C	PC-id_136322359,EMOLS-id_315711101	236.313	FSAGRIJYVYUHBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012550
CCc1nn(c2c1NC(=O)C(CN2)(C)CC)C	EMOLS-id_314889281,PC-id_136322352	236.313	RAYSQLILTFOITL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012551
CCc1nn(c2c1NC(=O)C(CN2)C(C)C)C	PC-id_136290740,EMOLS-id_42161818	236.313	YDLJIAXFPDTTGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012552
CCc1nn(c2c1NC(=O)CC(N2)C(C)C)C	PC-id_136316711,EMOLS-id_314459205	236.313	DJGWWARMIGUHBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012553
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CCCC1CC(=O)Nc2c(N1)n(CC)nc2C	EMOLS-id_315711901,PC-id_136316687	236.313	LHKXVRHHYPPFHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012555
CCCC1CC(=O)Nc2c(N1)n(C)nc2CC	EMOLS-id_315715228,PC-id_136316680	236.313	FVCUBEXWCZRTTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012556
CCCC1CNc2c(c(nn2C)CC)NC1=O	EMOLS-id_42161822,PC-id_136290745	236.313	MDOPIOLMGITWKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012557
CCCC1CNc2c(c(nn2CC)C)NC1=O	PC-id_136290816,EMOLS-id_42162268	236.313	ZLTSKSDZAXLONE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012558
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CCCc1nn(c2c1NC(=O)CC(N2)(C)C)C	EMOLS-id_42161986,PC-id_136290777	236.313	SAFMOXSVMUELLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012560
CCCc1nn(c2c1NC(=O)C(CN2)CC)C	PC-id_136290811,EMOLS-id_42161974	236.313	ZBZPHGQCJIUWPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012561
CCCc1nn(c2c1NC(=O)CC(N2)CC)C	PC-id_136316694,EMOLS-id_314442802	236.313	RLNQATGWGRNEMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012562
CCCc1nn(c2c1NC(=O)C(CN2)(C)C)C	PC-id_136927741,EMOLS-id_314485545	236.313	YVKSBUQOANWKMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012563
CCCc1nn(c2c1NC(=O)C(C(N2)C)C)C	PC-id_137012923	236.313	WFGNAFILOBDOTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012564
CCCc1nn(c2c1NC(=O)CCN2CC)C	PC-id_79305240,EMOLS-id_42161964	236.313	SRRVOGLFUVICKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012565
CCCCCCn1cnc2c1NC=NCC2O	PC-id_10513995,CHEMBL37246,BindingDB_PC-id_10513995	236.313	STMONNTYIUSYFY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012566
s1c(/C=C/c2c3-c(cc2)ccccc3)ccc1	PC-id_11447713	236.331	INRQTFVTRNREFY-ZHACJKMWSA-N	00000010100100000110000000000010000000000000000000000000	31-01-012613
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CCCC(=O)NCc1nnc2n1CCCCC2	CoCoCo_4625709,PC-id_24646571	236.313	UQNRCTKFJWBQCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012568
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CC(C)NC(=O)c1nnc2n1CCCCCC2	EMOLS-id_320357803,MCULE-7156800971,ZINC22_630950483	236.313	CJPWAHMHGHZFCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012570
CCC(=O)NC(c1nnc2n1CCCCC2)C	PC-id_60707563,EMOLS-id_315253484	236.313	FBVYJKWJIZTCOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012571
CCn1c2c(c(n1)C)NC(=O)CC(N2)C(C)C	EMOLS-id_315721625,PC-id_136316704	236.313	AOTUBOVTRIXVAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012572
CCn1c2c(c(n1)C)NC(=O)C(CN2)C(C)C	PC-id_136280689,EMOLS-id_42162264	236.313	RMJFRMOPFSXHID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012573
CCN1C(C)CC(=O)Nc2c1n(CC)nc2C	EMOLS-id_42162258,PC-id_79308343	236.313	RCVZWXWOAOKGMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012574
CCN1CC(C)C(=O)Nc2c1n(CC)nc2C	PC-id_79308243,EMOLS-id_42162254	236.313	KUAZMVXOWAMJAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012575
CCN1CC(C)C(=O)Nc2c1n(C)nc2CC	PC-id_79299609,EMOLS-id_42161808	236.313	MPSRZGZIVQQLTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012576
CCN1C(C)CC(=O)Nc2c1n(C)nc2CC	PC-id_79299678,EMOLS-id_42161812	236.313	IHLKPJZJWSTRFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012577
CCn1nc(c2c1N(CCC(=O)N2)C(C)C)C	EMOLS-id_42162236,PC-id_79308040	236.313	FKAUEDLIMCGAJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012578
CCN(C(=O)C1CCn2c(CC1)nnc2)CC	EMOLS-id_319133832	236.313	NORWBDGEBLKAHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012579
CC(NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101727822	236.313	VWRAGOTUJAQGJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012580
CC(=O)N1CCc2ncc(CN(C)C)n2CC1	EMOLS-id_313779404,ZINC22_2055772236	236.313	LMYVFRALCOBODA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012581
CN1CCCn2c(C1)c(nc2C(C)C)C(=O)N	PC-id_145538500	236.313	HPAYMOHFZQUFDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012582
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COCCN1CCCc2c(C1)c(n[nH]2)C(C)C	SCHEMBL17229731,PC-id_118489258	237.341	OHIAKVSXFOURIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012914
COCCNCc1[nH]c2c(n1)CCCCCC2	PC-id_63955902,EMOLS-id_40130621	237.341	LDBCPTQZYHTPBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012915
CSc1sc(c2c1C(=O)CCCC2)C#N	SCHEMBL7397395,PC-id_21184500	237.341	PBNBMSQRPAZLRF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012916
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CC(C)N1CCCn2c(CN(C)C)nnc2C1	PC-id_97405571,EMOLS-id_46182523,ZINC22_96084748	237.345	GZUVONXEPPAVHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012919
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c12NC(=O)CCCCc1sc(C(C)(C)C)c2	EMOLS-id_4685717,CoCoCo_613753,MCULE-4985222561,ZINC22_5230019,PC-id_4893395	237.361	YZWRNLCDHCBXRM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012923
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CCCNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_314257343,PC-id_60655458	237.361	BIHOXAXAEZHCPZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012926
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CCn1sc2=CC(C)(C)CCC(=c2c1=O)C	PC-id_142554622	237.361	OFDWEERGYVVLDI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012929
CC(NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_7678018,EMOLS-id_314403371	237.361	YQSZCTBDTVFPQC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012930
CCNC(=O)c1cc2c(s1)CCCCCC2	PC-id_17533002,CoCoCo_3337971,ZINC22_12812491,EMOLS-id_16774488,MCULE-3922443647	237.361	URCLGJBGDNWBRX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012931
CC(=O)c1c(N)sc2CCCCC(C)(C)c12	EMOLS-id_337900074	237.361	WIXQEEWRCYXSOF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012932
CCSCCn1cc2c(c1)CCCCC2=O	PC-id_116099320	237.361	KXMZAFXTDNFGEG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012933
CSCCCn1cc2c(c1)CCCCC2=O	PC-id_116099321	237.361	AWIZRIGSWXCOPE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012934
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s1c2CCCCCCc2cc1C(=O)N(C)C	PC-id_60653120	237.361	MJLJJFJINVHJBX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012937
s1c2CCCC(CN(C)C)C(=O)c2cc1C	PC-id_10823802	237.361	SOAAYTCBRYYXFK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012938
s1c2CCCC=C(NO)c2cc1CCCC	PC-id_1882591	237.361	FSZBFOMXSQTBGB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-012939
s1c2N(CCCCc2cc1C(C)C)C(=O)C	PC-id_14172055	237.361	ZWOFHSJXAGPYEE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012940
s1c(CC(C)C)c(c2c1OCCN=C2C)C	PC-id_20676170	237.361	SSPTXAGUHREPLR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012941
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CC1CN1Cc1cc2c(s1)CCCNC2N	PC-id_141859826	237.364	GHIZWDHXXJXHRK-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-012943
CC(C)n1ncc2c1C[C@H](C(=S)N)CCC2	ZINC22_575425605	237.364	UGDMXPMVBOOXJG-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012944
CC(C)n1ncc2c1C[C@@H](C(=S)N)CCC2	ZINC22_575425606	237.364	UGDMXPMVBOOXJG-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-012945
CC(C)n1ncc2CCCC(Cc12)C(=S)N	MCULE-2580220664,EMOLS-id_75547830	237.364	UGDMXPMVBOOXJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012946
NC1(CC1)CCc1cn2c(n1)SCCCC2	PC-id_105499619	237.364	LHGGMUQRQNRQLO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-012947
NC1(CC1)CCc1nn2c(c1)SCCCC2	PC-id_105499618	237.364	OJUGNDJOZGZKGJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-012948
s1c2CCCCCc2cc1/C(=N/CC)/NN	PC-id_61363047	237.364	LYLYVXVWLJPOPV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012949
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s1c2CCCCCCc2nc1N=CN(C)C	PC-id_72601671	237.364	VEWSFNQESFJAEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012951
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CSC1=C(C=C)CCc2c(N1C)scc2	PC-id_142244703	237.384	HRVBUNCWILVUAG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-012953
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CCC(C(c1cc2c(s1)CCCCC2)N)C	PC-id_105017583	237.404	PVBJAQBHWGDJQY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012956
CCCC(c1cc2c(s1)CCCCC2)NC	PC-id_114982349	237.404	DZZJAUNUHOXWJQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012957
CC(CC(c1cc2c(s1)CCCCC2)N)C	PC-id_115782851	237.404	UGWNPZCGMJBOKI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012958
CCCCC(c1cc2c(s1)CCCCC2)N	PC-id_115833024	237.404	FNDMRYFSYWWIOH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012959
CC(CNCc1cc2c(s1)CCCCC2)C	EMOLS-id_37993611,PC-id_60985601	237.404	BSADQAUHQBBPLM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012960
CCCNC(c1cc2c(s1)CCCCC2)C	PC-id_115780103	237.404	RJDBIEUCGICXMC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012961
CCC(NCc1cc2c(s1)CCCCC2)C	PC-id_61023084,EMOLS-id_38031228	237.404	VDNAZHFDDMFBGT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012962
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CCNC(c1cc2c(s1)CCCCC2)CC	PC-id_114979211	237.404	DPKOXBHDHYXCGV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012965
Brc1ccc2-c(ccc2CCO)cc1	PC-id_85856829	251.119	CWAJYFLDDFMOKM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015554
CC(NCC1CCCCCc2c1scc2)C	SCHEMBL18723965	237.404	BMGYBSJYUIFWCA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012966
CC(NCc1csc2c1CCCCCC2)C	PC-id_114748943	237.404	GNBGGJLDYXSXHA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012967
CNC(c1cc2c(s1)CCCCC2)C(C)C	PC-id_114978753	237.404	XBILGVMTWTWZNR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012968
CNCC1CCCCCCc2c1cc(s2)C	SCHEMBL18723768	237.404	WAUNVQUYNKAJBI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012969
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Nc1sc(c2c1CCCCC2)CC(C)(C)C	PC-id_98771522	237.404	HGDLWLBMMHSYCR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012971
NC(C(C)(C)C)c1cc2c(s1)CCCCC2	PC-id_115854457	237.404	BPQZJEAEFQBHGH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012972
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ClC1=NCCCn2nc(cc12)C(F)(F)F	PC-id_72210844	237.609	QYCGWYBBBJSDAO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-012976
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Clc1c2-c(c(Cl)c1N=[N+]=[N-])ccccc2	PC-id_12039471	238.073	VODFWQSUPIIIIT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-012981
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C1CCCOC(=O)C2=CC=C(O2)C(=O)OCC1	PC-id_154499013	238.084	XRIOPVWKWONDKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-012983
CC1=NON=C1N=NC2=C3C=CC=CC=C3C=C2	PC-id_154574029	238.085	YLUFDEAAWALJNH-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-012984
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CCC1CCC2=C(CC1)SC(=C2)C(C)OC	PC-id_165142947	238.139	ZEXDDUVOZNQIEE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-012988
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CCOCc1nn2CCCCCc2c1C(=O)O	EMOLS-id_337769766	238.283	WETPUMXRDYYTLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013014
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CCOC(=O)c1n[nH]c2c1CC(C)(C)OCC2	SCHEMBL18377506	238.283	ZEQRQHOVHRNIOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013016
CCOC(=O)c1n[nH]c2c1CCC(OC2)(C)C	SCHEMBL18377504	238.283	MCYVUKFTLNQGFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013017
CCOC(=O)c1n[nH]c2c1CCOC(C2)(C)C	SCHEMBL18377503	238.283	MDSYPSSJGDITHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013018
CCOC(=O)Cn1nc2c(c1O)CCCCC2	EMOLS-id_315352788	238.283	MJQAALVZAWGQOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013019
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COCc1nn2CCCCCCc2c1C(=O)O	EMOLS-id_337771301	238.283	FAFGKUNUEXRXAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013021
COCCN1CCc2c(C(C1=O)NC)occ2	PC-id_23554786,SCHEMBL14171290	238.283	IPMIODHTNCAFNT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013022
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CCCC(C(=O)N1CCCn2c(C1)cnn2)O	EMOLS-id_319104365	238.286	AILUFLQMNNGFSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013026
CC(C)(C)OC(=O)N1CCc2nncn2CC1	MCULE-6588812780,EMOLS-id_44196357,SCHEMBL1497458,PC-id_67054482	238.286	KZIKIXQLGMNAHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013027
CCCC(=O)NCc1nnc2n1CCOCC2	ZINC22_2325756006	238.286	LNNGHVNECFGLJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013028
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CN1CCOCc2nnn(CCCCC1=O)c2	SCHEMBL13040302,PC-id_49819127,CT-id_1503897,1503897_OpenMolecule	238.286	FKQJOWRCZVRMTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013030
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COCCc1cnn2c1N(C)C(=O)C(CC2)N	SCHEMBL18365863	238.286	BVDTZHRWOWINKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013032
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COCCNC(=O)[C@@H]1CNCc2ccnn2C1	ZINC22_306143347	238.286	XZYMNPPGLNNKSC-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013035
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CONc1cnn2c1C(=O)N(CCC2)C(C)C	PC-id_145428367	238.286	BMPPRGJJKUNRAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013037
O1Cc2n(nnc2)CCC[C@H](C(=O)NCC1)C	PC-id_71759936	238.286	LVSOCWXOMDNYMU-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013038
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O1CCCN(C(=O)CCCn2nncc2C1)C	SCHEMBL13040285,PC-id_49818980	238.286	SOLYORWMLODKMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013041
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CCOC(=O)N1C=Cc2c(N(C1)C)scc2	SCHEMBL11404217,PC-id_70580040	238.306	SQPUBJKLHXFBQB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013054
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CC(C)c1cc2-c(ccc2C=O)c(cc1)CC=C	SCHEMBL8850553,PC-id_88375194	238.324	QXLDGPHVBOXDGF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013064
c12OCCCC(O)c1c(nn2C(C)(C)C)CC	EMOLS-id_320451856,MCULE-1388321547	238.326	YQSRVGFXWWQIOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013065
c12OCCCC(O)c1c(nn2C(C)C)C(C)C	MCULE-4273462216,EMOLS-id_320452626	238.326	PGJBQTIACKMUCK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013066
COCCNCc1noc2c1CCCCCC2	PC-id_80462690,EMOLS-id_315042365	238.326	KEDTZSOFRFKRFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013067
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CCOC(Cc1nnc2n1CCCCC2)CN	PC-id_114227084	238.329	NKDWGHLERYELRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013076
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c1(C(=O)N(C)C)c2CCCCCc2sc1N	EMOLS-id_37577372,PC-id_43174823,MCULE-4931793835	238.349	ITEDCRWBEOUOQS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013086
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c1([C@H]([C@@H](C)CC)N)sc2c(CCCCC2)n1	PC-id_83296553,MCULE-2611901226	238.392	QXRZDMOMNXCHMR-CABZTGNLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013115
c1(C(N)C(C)(C)C)sc2c(CCCCC2)n1	PC-id_61339055,MCULE-8598638610,EMOLS-id_38234781	238.392	HVDYYCGPHPTULG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013116
CCC(c1nc2c(s1)CCCCC2)(CC)N	PC-id_61336500,EMOLS-id_38234546	238.392	KERSXXIHTSQXNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013117
CCC(c1sc2c(n1)CCCCCC2)(N)C	PC-id_61337070,EMOLS-id_38234462	238.392	QZPADZSNKBETAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013118
CCCC(c1cc2c(s1)CCCCC2)NN	PC-id_105282162	238.392	PEAYLBXYHHEERU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013119
CCCC(c1sc2c(n1)CCCCCC2)N	EMOLS-id_38234040,PC-id_61338404	238.392	RCJPDUAXSFLPLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013120
CCC(Cc1sc2c(n1)CCCCCC2)N	EMOLS-id_39254462,PC-id_62645897	238.392	HJRQOZPTVIAFFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013121
CC(CNc1sc2c(n1)CCCCCC2)C	PC-id_63472814,EMOLS-id_39842391	238.392	CAUJPLOXTLEQPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013122
CC(CNCc1nc2c(s1)CCCCC2)C	PC-id_62921626,EMOLS-id_39474210	238.392	ITQDYWKAONOJLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013123
CC(Nc1sc2c(n1)CCCCCC2)(C)C	EMOLS-id_39470060,PC-id_62942927	238.392	NAKCACIOIWQSMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013124
CC(NCc1nc2c(s1)CCCCC2)(C)C	EMOLS-id_39152869,PC-id_62543044	238.392	GPXOZBFDZIDLAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013125
CC(NCc1sc2c(n1)CCCCCC2)C	EMOLS-id_39152823,PC-id_62543711	238.392	JXXWCSFTYAZWEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013126
CCSCCn1cc2c(c1)CCCCC2N	PC-id_116099743	238.392	WJMPBESXRWGNQU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013127
CNCC(c1sc2c(n1)CCCCCC2)C	PC-id_104513353,EMOLS-id_261640170	238.392	KWNYKGLMNXCNAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013128
CNCCNCc1cc2c(s1)CCCCC2	EMOLS-id_261514700,PC-id_104377293	238.392	KPJFVCXCXIGMHA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013129
CSCCCn1cc2c(c1)CCCCC2N	PC-id_116099745	238.392	TWYBVKOODXCRJV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013130
CSCCn1cc2c(c1)CCCCC2NC	PC-id_116099747	238.392	TZNPQHXXNGXBQO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013131
n1c2CCCCCCCCCCc2sc1N	CHEMBL1481410,ZINC22_553652,BindingDB-id_150825,PC-id_950890,STOCK3S-56761,BindingDB_PC-id_950890,SPECS-id_AN-153/I188079,EMOLS-id_3810325,TIMTEC527890,ChEMBL-DNDi_CHEMBL1481410,MCULE-9623228885	238.392	WMOHSPSQAUUNFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013132
n1c(CNCCC)sc2CCCCCCc12	MCULE-3517772390,PC-id_62543025,EMOLS-id_39152617	238.392	RSFQJHKOOILXEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013133
NC(c1sc2c(n1)CCCCCC2)C(C)C	EMOLS-id_38234136,PC-id_61336455	238.392	BLJXAJRPULKMRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013134
NCC(c1sc2c(n1)CCCCCC2)(C)C	PC-id_103097117	238.392	QPRRRKYJJYNMQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013135
NCCCCc1sc2c(n1)CCCCCC2	EMOLS-id_41450552,PC-id_65721342	238.392	KFFMDDHFGVYIES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013136
NCCCNCc1cc2c(s1)CCCCC2	EMOLS-id_315883398,PC-id_104422041	238.392	ULGKAVSOZVKYSQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013137
NC[C@@H](NCc1cc2c(s1)CCCCC2)C	PC-id_104867821	238.392	FESNCCABCOPPKB-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-013138
NC[C@H](NCc1cc2c(s1)CCCCC2)C	PC-id_104868267	238.392	FESNCCABCOPPKB-SNVBAGLBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013139
NCC(NCc1cc2c(s1)CCCCC2)C	EMOLS-id_314281420,PC-id_104394782	238.392	FESNCCABCOPPKB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013140
NCCN(Cc1cc2c(s1)CCCCC2)C	PC-id_104412663,EMOLS-id_315874184	238.392	BCTWWRMWJFJTDT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013141
NNC(c1cc2c(s1)CCCCC2)C(C)C	PC-id_105281634	238.392	WTTQNVDYVMKYLV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013142
s1c2CCCCCc2nc1CCCCCN	PC-id_83296558	238.392	WPJBWQJWOUACJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013143
s1c2CCCCCc2nc1[C@@H](N)CC(C)C	PC-id_83296546	238.392	WCJBOHBIGKWTIJ-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-013144
s1c2CCCCCc2nc1[C@H](N)CCCC	PC-id_83296563	238.392	ZXIFHIVZYCCGLJ-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013145
s1c2CCCCCc2nc1C(N)CCCC	PC-id_83296550	238.392	ZXIFHIVZYCCGLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013146
s1c2CCCCCCc2nc1[C@@H](N)C(C)C	PC-id_83296549	238.392	BLJXAJRPULKMRG-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013147
s1c2CCCCCCc2nc1[C@H](N)CCC	PC-id_83296556	238.392	RCJPDUAXSFLPLN-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013148
s1c(nc2c1CCCCC2)[C@H](N)C(C)(C)C	PC-id_83296566	238.392	HVDYYCGPHPTULG-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-013149
S=c1[nH]c2CCCCCCCCCCc2[nH]1	PC-id_80121668,EMOLS-id_315246890	238.392	YPOZAOUYOSZOBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013150
Cc1s[n+](c2c1CC(C)(C)CC(C2)(C)C)C	PC-id_144659240	238.412	LDMVPBZXYQXVMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013151
S1CCCSc2ssc(=S)c12	PC-id_13903518	238.437	GEPGHYCWMBKWDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013152
s1c(=S)sc2SCCCSc12	CoCoCo_1943491,SCHEMBL15357318,EMOLS-id_6762657,TIMTEC127759,PC-id_695724,ZINC22_70390,MCULE-2322014688,CT-id_2013572	238.437	DOEVIAQPIMUTRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013153
Clc1cc2-c(oc(=O)c2C(=O)OC)ccc1	PC-id_13129286	238.624	AUQMNSQNFCDENF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013154
Clc1ccc2-c(oc(=O)c2C(=O)OC)cc1	PC-id_13129285	238.624	KGDVPDGUKSHPPV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013155
ClCC(=O)c1c2c(sc1)c(=O)cccc2	PC-id_15122356	238.69	IATHJJFWVNKDDZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013156
C=C1CCCCCc2c1n(C)nc2C(=O)Cl	SCHEMBL10080625,PC-id_88563731	238.713	UIIZVLHJENXMAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013157
ClCCCN1CC=Cc2n(ccc2C1=O)C	SCHEMBL6775519,PC-id_22737879	238.713	AFLSAXDHXWAMAH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013158
Clc1n(nc2c1CCCCC2)C(C1CC1)C	PC-id_66022851	238.756	FGFRHGHIRHEKFL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-013159
CCC1=NN2C(=NC=C2Br)CC=C1	PC-id_155110965	239.006	SQPGYOCONZALEK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013160
Brc1c(=O)c2occ(c2ccc1)C	PC-id_15162456	239.065	IUCGFULDBXPNSJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013161
Brc1c(=O)c2oc(cc2ccc1)C	PC-id_327307,CoCoCo_5587097,LI_183080,NSC301765	239.065	RDXFNCODLIWZIY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013162
Brc1oc2c(c1C)ccccc2=O	PC-id_14616521	239.065	VLTXHRFIHWFAAP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013163
Cc1oc2c(c1Br)ccccc2=O	PC-id_102239182	239.065	CWYILNAMGXPYLE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013164
CC(=O)c1cccc2-c(c1)c(Cl)cc2Cl	PC-id_121007141	239.097	ZUEPRWXMYGLMAF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013165
ClC(Cl)C(=O)c1c2-c(cc1)ccccc2	PC-id_85756772	239.097	MHTDUDWOOIOOPQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013166
O=Cc1c2-c(cc1C(Cl)Cl)ccccc2	PC-id_141536847	239.097	NXIFNPIUBXMQMU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013167
Cc1cc(C)c2-c(c(c1)C)c(cc2Cl)Cl	SCHEMBL17229432	239.14	GHUOUEPIWWRMNS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013168
CCCN1CCC2=C(CC1)SC(=N2)NCC	PC-id_154386153	239.146	DEFQULRUMNNRKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013169
CCCNC1=NC2=C(S1)CCN(CC2)CC	PC-id_163950503	239.146	FSPNHVVFBRAPIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013170
N#Cc1c(N)[se]c2c1CCCCC2	PC-id_139210632	239.176	PCBRCNQLJLMWJC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013171
CBc1sc2c(c1)SC(=C)C=C(S2)N	SCHEMBL12437848	239.188	OZNVNCACIDRSCD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013172
COC(=O)C1(N)NC(=O)c2c(NC1=O)nc[nH]2	PC-id_11776376,SCHEMBL5744479	239.188	ZFFMDETXXLMZNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013173
FC(F)(F)/C(=N/O)/c1c2-c(cc1)ccccc2	PC-id_71674230	239.193	NDMYRYUNYRRRGK-LFIBNONCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013174
FC(F)(F)C(=NO)c1ccc2-c1ccccc2	PC-id_78146354,CNP0458067	239.193	NDMYRYUNYRRRGK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013175
CC1CCCCn2c1c([N+](=O)[O-])c(n2)C(=O)O	PC-id_22605304,SCHEMBL6381208	239.228	PGJFBVHBZNQKDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013176
CN1c2c(CON(C1=O)C)c(co2)CC(=O)N	SCHEMBL14981260,PC-id_89592027	239.228	HXLROPVLFPPXJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013177
COC(=O)C1CCc2nnc(C(=O)O)n2CC1	EMOLS-id_277308951,MCULE-5578397806	239.228	QJDBABXYVYFUMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013178
O(C(=O)N1CCc2c([nH]nc2C(=O)O)CC1)C	PC-id_83919330	239.228	CTXNQOUJLFRWPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013179
CN1CON(c2c(C1=O)n(cn2)CC(=O)N)C	SCHEMBL15384428,PC-id_89901313	239.231	QZVFFAHEEMVICW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013180
o1c2c(C(=CC(C=C2[2H])(C(C#N)C#N)[2H])[2H])c(c1N)C#N	PC-id_60153596	239.247	JBOIFPVPDXZCHX-NEXYTSFSSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013181
o1c2c(C(C(C#N)C#N)(C=C(C=C2[2H])[2H])[2H])c(c1N)C#N	PC-id_60153595	239.247	VVOBDKATEKILRM-IYFCWVTDSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013182
C/C=CC1=C(C)CCCC(c2c1[nH]nn2)(F)F	SCHEMBL14725490	239.264	QSOMGADHQWLYIS-SREWNSDNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013183
FC1(F)CCCC(=C(c2n[nH]nc12)C=CC)C	PC-id_71273368	239.264	QSOMGADHQWLYIS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013184
CCOC(=O)CN1CCC(c2c(C1)occ2)O	SCHEMBL2835756,PC-id_68409600	239.268	QJLLYQKXEAPODI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013185
CCOC(=O)N1CCC(c2c(C1)oc(c2)C)O	SCHEMBL2835764,PC-id_68409605	239.268	NCNJXUPAODSADP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013186
O1C(OCc2c(C1)c([nH]c2)C(=O)OCC)(C)C	PC-id_23726664	239.268	ALYHVGBVSHNOMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013187
O(C(C)(C)C)C(=O)N1OCc2c(occ2)CC1	PC-id_11310977	239.268	HHJLPFOKBSHGJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013188
C1CNC(=O)c2c(/C/1=Cc1ccccc1)cco2	PC-id_134840753	239.269	SUJVDUTVKMWDGF-BENRWUELSA-N	00000000100000110100000000000010000000000000000000000000	31-01-013189
N#C/C=C/c1c(=O)oc2-c1cc(ccc2)C(C)C	PC-id_102312866	239.269	SGKZDCTTWZJLTI-GQCTYLIASA-N	00000010100000000110000000000010000000000000000000000000	31-01-013190
N#C/C=Cc1c(=O)oc2-c1cc(ccc2)C(C)C	PC-id_102312867	239.269	SGKZDCTTWZJLTI-XQRVVYSFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013191
O(CCc1c2-c(cc1)cc(ccc2)C#N)C(=O)C	PC-id_85915691	239.269	CWGAZOYBSSQZHL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013192
O(CCc1c2-c(cc1)cccc(c2)C#N)C(=O)C	PC-id_85915701	239.269	ZIBOUWSSOPDVFQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013193
O(C(=O)c1c2-c(c(cccc2)CC#N)cc1)CC	PC-id_85742803	239.269	PGPWWSHTGCHRTH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013194
OC(=O)c1c(CCC)c(c2-c1ccccc2)C#N	PC-id_71420585	239.269	OTPDHTBTSCXRCL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013195
OC(=O)c1c(C(C)C)c(c2-c1ccccc2)C#N	PC-id_71420586	239.269	BPLFFUWCVWEGCS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013196
CNC1C(=O)N(CCc2c1ocn2)CC(O)C	SCHEMBL14171179,PC-id_23554781	239.271	SQAWFRZVNMBMPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013197
COCCN1CCc2c(C(C1=O)NC)ocn2	PC-id_23554785,SCHEMBL14171204	239.271	RSYBGSBAEMOWCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013198
COCC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_107507720	239.271	CNEPJCICBVLENK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013199
O=c1n2CCCCCc2nn1CCCC(=O)O	PC-id_43664771,EMOLS-id_37782498	239.271	BDYQWCSHAMHQTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013200
O=c1n2CCCCCc2nn1CCC(=O)OC	PC-id_43664777	239.271	BYOASKYDRUAWBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013201
O=c1n2CCCCCc2nn1C(C(=O)O)(C)C	PC-id_114994536	239.271	HBOBXPFQDBCAQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013202
O=c1n2CCCCCc2nn1CC(=O)OCC	PC-id_43426028	239.271	WVAYJMLMBWBYEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013203
OCCN1CCc2c(nn(c2C(=O)O)C)CC1	PC-id_83919347	239.271	IFECYLNQHVRXCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013204
OCCN1CCc2n(nc(c2CC1)C(=O)O)C	PC-id_83919348	239.271	GPBLCAJPVCXILH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013205
OCCNC1CCCCn2nc(cc12)C(=O)O	EMOLS-id_259824800,MCULE-9216578502	239.271	QXGQOUJDYSGQEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013206
N#CC1(CCC1)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_318860485	239.273	XNERGTAFPAFERG-UHFFFAOYSA-N	00001010100000000111000000000010000000000000000000000000	31-01-013207
N#CCC1(CC1)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_318984431	239.273	HLSPMDGFAWTQIN-UHFFFAOYSA-N	00100010100000000111000000000010000000000000000000000000	31-01-013208
CC(C)(C)OC(=O)N1CCNc2n[nH]nc2C1	PC-id_137234148	239.274	PVPAFORJAMWZFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013209
NC(C(=O)N)Cn1nc2n(c1=O)CCCCC2	PC-id_81941229,EMOLS-id_315065098	239.274	NUCCLUMQRIKWTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013210
NNC(=O)CCn1nc2n(c1=O)CCCCC2	EMOLS-id_39889512,PC-id_63578500	239.274	DOBQDCJRKUAUID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013211
O=c1n2CCCCCc2nn1C(C)C(=O)NN	PC-id_63578501	239.274	CBAOBULILKCEEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013212
OC(=O)C(N)Cc1nn2CCCCN(c2n1)C	PC-id_82664031	239.274	JOKCETYSZTWKAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013213
C/C(=CC1=CCc2c(N=C1)[nH]cc2)/n1cncn1	PC-id_143020076	239.276	KFKAGEYTVFBGDX-UXBLZVDNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013214
CCC(=O)C1(F)CCCCCc2c1nnn2C	SCHEMBL18665014	239.289	SQQNYTRPFPHLDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013215
CCn1nnc2c1CCCCCC2(F)C(=O)C	SCHEMBL18653325	239.289	VCPHSDPENNJGLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013216
C1CN(CC(c2c1scc2)CC(=O)O)C=O	PC-id_89065972,SCHEMBL13354815	239.291	BEULOOCYQBRXGA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013217
CCc1noc2=CCC=C(C=c12)S(=O)(=O)C	PC-id_142509150	239.291	DLGCWYLVFJEDJD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013218
CCc1sc2c(c1)C(=O)CN(CC2)C(=O)O	SCHEMBL19638431	239.291	FPOXGHPDGSCYAQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013219
CCOC(=O)C1CCc2c(C(=O)N1)ccs2	SCHEMBL4791960,PC-id_69192395	239.291	XOGNCBNGWSDUKO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013220
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CCCc1cn2CCCNC(CSC)c2n1	MCULE-9548639513,EMOLS-id_208139700	239.38	XVBZZGPHRVBZGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013336
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o1nc(c2CCN(CCc12)C(=O)OC)C(=O)O	PC-id_83919408	240.213	ANLUEQIYPSFURE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013353
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CCOc1noc2c1CN(CCC2)C(=O)OC	PC-id_10037282,SCHEMBL10460250	240.256	PULHFQIIUPBXRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013355
CCOC(=O)c1cc2OCC(CO)CCn2n1	EMOLS-id_324312162	240.256	RSQXZRSLDJVXFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013356
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o1nc(OCC)c2CCN(CCc12)C(=O)OC	PC-id_71562916	240.256	TZEDVLYXUQNSAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013359
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CCOCC(=O)N1CCc2n[nH]c(=O)n2CC1	PC-id_91910587,EMOLS-id_50585809,MCULE-7769846296	240.259	KEOKFAFWLUCEOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013361
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Oc1n2CCCCCCn(c2=O)c1NC(=O)N	PC-id_54459167	240.259	XAJRPRZYPOUOOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013363
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CC(=O)c1sc(c2c1OCCCO2)C(=O)C	SCHEMBL14241019,PC-id_71113188	240.276	KOSPKSOAJLGUKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013367
CN1C(=O)C(N)CCn2c1cc(n2)C(CF)C	SCHEMBL19658820	240.277	APXOQXMPTUYBFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013368
CC(=O)N1CCCCc2nc(sc12)C(=O)O	EMOLS-id_331222022	240.279	VEWBPYZWWUTAHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013369
COC(=O)/C=c/1sc2=NCCCCn2c1=O	PC-id_6283170,ZINC22_1588298,CoCoCo_5629225,NSC371815	240.279	FFJQMYBKIGAYTN-SREVYHEPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013370
COC(=O)/C=c
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COC(=O)Nc1nc2c(s1)C(=O)CCCC2	PC-id_58256650,SCHEMBL691361	240.279	ZPEHEQZFFPWUCT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013372
Nc1nc2c(o1)C=CC(C=C2)(C)S(=O)(=O)C	PC-id_142807087	240.279	HGLTWGHGMSTULZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013373
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s1nc2N(C(=O)C(N(C(=O)c2n1)C)CC)C	PC-id_10538017	240.282	UPJKCLQBBJRKRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013378
CCc1cc2c(s1)NC(=O)CN=C2CCF	PC-id_135720345	240.297	PZYSTLFXGQELJY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013379
CCOC(=O)c1cc(c2-c1ccccc2)C(=C)C	PC-id_102043372	240.297	JQBHXJZDXSPUTM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013380
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OC/C=C/C=C/c1c(OC)cc2-c1ccccc2	PC-id_102332097	240.297	ZIVVRCFNUNCPDA-ASVGJQBISA-N	00000010100000000110000000000010000000000000000000000000	31-01-013385
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s1c2=NC(=O)CNC(=c2cc1CC)CCF	PC-id_21139353	240.297	NYFLLXGYFYIFSM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013387
COC1(C)CCCCC(c2c1[n+]([O-])on2)(C)C	PC-id_101002552	240.299	GGHBCUJERXPRIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013388
o1nc2n(C(CCCC2)CCCCCO)c1=O	PC-id_22901396	240.299	YCNLSASKIQFEAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013389
O(CC1n2c(noc2=O)CCCC1)CCCC	PC-id_22901403	240.299	SYFDTGLTUYKTSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013390
c1ccc(cc1)/C=C/c1nc2c(o1)CCNCC2	SCHEMBL158134,PC-id_66608942	240.3	XIVLJAJGNIXVER-VOTSOKGWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013391
c1ccc(cc1)C=Cc1nc2c(o1)CCNCC2	SCHEMBL158135,PC-id_66608943	240.3	XIVLJAJGNIXVER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013392
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CC1C(CC(n2c(cc(n2)C)N1)N)C(O)OC	PC-id_136608935	240.302	LMMSCBATUFDBBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013404
C1CCC(=Cc2ccccc2)c2n(CC1)nnn2	SCHEMBL13482976,PC-id_58993070	240.304	ZMKUEBQZIVMBMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013405
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CCOC(=O)c1sc2c(c1O)CCCCC2	PC-id_101623197	240.319	PMHBDBVNKLLHHH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013407
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CCOC(=O)c1c(N)sc2c1CCNCC2	PC-id_11715674,SCHEMBL2999543	240.322	VPUADHMUXYQKID-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013412
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c1ccc(cc1)CC1=CNc2c(ccs2)C=N1	PC-id_136347593,SCHEMBL3528499	240.323	PJVXLRLXTCZVOZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-013422
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CCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)C	PC-id_139664598	240.34	CLFNIRGECUFVMF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013436
CCc1cc(c2-c1cc(ccc2)C(C)C)C(=O)C	PC-id_139664603	240.34	YKRJTCGAHWGNOK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013437
CCc1cc(c2-c1cccc(c2)C(C)C)C(=O)C	SCHEMBL10518502,PC-id_70385087	240.34	AFXUBKZVVZNFDB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013438
CC(c1ccc(c2-c(c1)c(C)cc2C(=O)C)C)C	SCHEMBL17229430,PC-id_12657491	240.34	OENZLQNHORQIRM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013439
C/C=CCc1c(C=CCC)oc2c1C=CCC=C2	SCHEMBL18678287	240.34	MYYCAFLWAQAMBI-JBJCKUAGSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013440
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O(CC(=C)c1cc2-c(c(cc1)C)ccc2C)CC	PC-id_14293220	240.34	PYGXIUBZDLXDDE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013443
s1c2c([n+](CCCCCC(=O)OCC2)c1)C	PC-id_10041665	240.342	XBKBHLLERCOFTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013444
c1ccc(cc1)NCC1CCCn2c(C1)ccc2	PC-id_143775164	240.343	WPRLTDVQGBTIBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-013445
Cn1ccc2c1CCN(CC2)Cc1ccccc1	SCHEMBL11289139,PC-id_20481308	240.343	PQJMMODERAJANI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-013446
n1(cc2C(N)CCCCc2c1)Cc1ccccc1	PC-id_83208211,EMOLS-id_96819200	240.343	QUSNLBDBOAKOCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-013447
N1(CCCn2c(C1)ccc2)Cc1ccc(cc1)C	PC-id_3329317	240.343	JPMBLFYWSCCMRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013448
N1(CCCn2c(C1)ccc2)CCc1ccccc1	PC-id_3813638	240.343	USWGMNOFAXQNTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013449
s1c2CCC[N+](Cc2nc1C)(CC(=O)N)C	PC-id_21138993	240.345	QQOQOJGKHQUNCE-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-013450
s1c2CC[N+](CCc2nc1C)(CC(=O)N)C	PC-id_21138996	240.345	KHNWWQNTCMUCKJ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-013451
s1c2C[N+](CCCc2nc1C)(CC(=O)N)C	PC-id_21138997	240.345	OHOGBQDMPCTWFT-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-013452
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CC1(C)Oc2cscc2OC(C1(C)C)(C)C	PC-id_71142955,SCHEMBL14330252	240.362	IGUQSVCUOUKNNB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013454
CCC1(CC)COc2c(OC1)c(sc2C)C	PC-id_89842528,SCHEMBL15307579	240.362	XEXUKZBVIKFPPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013455
CC(C1CC(Oc2c(O1)csc2)C(C)C)C	PC-id_101791091	240.362	ILGAZYICHKCNLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013456
CC(c1sc(c2c1OCCCO2)C(C)C)C	SCHEMBL19901769,PC-id_134285890	240.362	QLXJUINTBJDZFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013457
CCCCC1(CC)COc2c(OC1)csc2	PC-id_142726282	240.362	BVXCLOQRIKQFFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013458
CCCCCCC1CCOc2c(O1)csc2	PC-id_69220663,SCHEMBL4861592	240.362	XVNJJMCTNPGYFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013459
CCOCC(c1cc2c(s1)CCCCC2)O	PC-id_115818744	240.362	XHMQEQNVSSEKSF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013460
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Cc1cc(C)c2-c(c(c1)C)ccc2C(=[N+](C)C)C	PC-id_110174498	240.363	IUFWAEVWIATWCG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013462
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COCCNc1sc2c(n1)CCCCCC2	EMOLS-id_39470206,PC-id_62942560	240.365	VUUAOHJJXWRWPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013464
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c1(SC(C)CCN)nnc2CCCCCn12	MCULE-8970766947,PC-id_60915052,EMOLS-id_37924058	240.368	KSBRWGGZPOWUBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013471
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c12-c(c(cc1CCC)C)cc(C(C)C)ccc2C	PC-id_12822775	240.383	FYRNWPHMMYOQGZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013487
c12-c(c(c(c1CC)C)C)cc(C(C)C)ccc2C	PC-id_12822795	240.383	CYJZHBXTAZGFMI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013488
c1(c(CCC)cc2-c1cccc(c2)C(C)C)CC	PC-id_19815684	240.383	XKPKRMSSFYCJQB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013489
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Cc1ccc(cc2-c1c(cc2C)C(C)C)C(C)C	PC-id_140787976	240.383	BPFQVNKJZRIYHD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013498
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CC1(Br)C=CC=c2c(=C1)ccs2	PC-id_142005295	241.147	BCQHMCCNLWPROJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013530
CCN/C(=CC=C)/C1=NC2=CC(C=CC=C2N1)C	PC-id_163938052	241.158	RONOJSRQDKXJSB-QPEQYQDCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013531
o1c2CCCN([N+](=O)[O-])C(=O)c2cc1[N+](=O)[O-]	PC-id_71398443	241.158	BOGARUOVCKATCQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013532
O=C1Oc2cc(n(c2OC(=O)C(C1O)O)C)C	PC-id_141167928	241.197	PHKMLROLPMAUCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013533
O=C(C1CC1(F)F)N1CCCc2c(C1)cco2	EMOLS-id_102831940	241.234	QGEMRZZTAQSZOY-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-013534
CCOC(=O)c1c(O)c(c2-c1ccccc2)C#N	CoCoCo_5544151,NSC225265,LI_171345,PC-id_312937	241.242	VMDVGKVVEKUNRQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013535
O(c1c2-c(c(cc2C#N)C(=O)OC)cccc1)C	PC-id_10060233	241.242	FFEAPIXQSJUYLH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013536
O(C(=O)c1c2-c(c(c1)C#N)c(O)cccc2)CC	PC-id_10466861	241.242	VPXLTVDLEHHVFI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013537
o1nc2n(C(CCCC2)CCNC(=O)O)c1=O	PC-id_18546034	241.244	JQZTWKXWSWFZHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013538
o1nc2n(C(CCCC2)C(=O)N(OC)C)c1=O	PC-id_22901446	241.244	HBEULZCKXQPJJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013539
N#Cc1c(NC(C(=O)O)C)nc2-c1ccccc2	PC-id_10014560,SCHEMBL9157057	241.245	DKAKVUKLFDETEA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013540
C#CC[C@@H]1C(=Nn2c(N(C1=O)CC#C)nnc2)C	PC-id_139048907	241.249	YEXABGIZWQVBSL-SNVBAGLBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013541
NC(=O)c1ccn2c1C=N/C=CN=CC=N/C=C	PC-id_141630121	241.249	MENQHFPIVJLMSX-XTJWMGBQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013542
O=C1N(c2n(N=C(C)C1CC#C)cnn2)CC#C	CT-id_1543778	241.249	YEXABGIZWQVBSL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013543
Brc1ccc2-c(c(c(O)c2C)C)cc1	PC-id_21063104	251.119	KUNBDTAHQDJTBS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015555
OC(=O)NC1CSc2n(N(C1=O)C)ccc2	SCHEMBL19031649	241.267	QSMFCQFOWFZXPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013544
N#CC(=C1C=Cc2c(C=C1)sc(=O)n2C)C#N	PC-id_101376313	241.268	SMNIJTZFDOBONQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013545
CC1OCCCOc2c(OCCCO1)c[nH]c2	PC-id_67512821,SCHEMBL2721879	241.284	FPUHUYOAMWVGOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013546
C1CCc2c(onc2CC1)C(=O)c1ccccc1	PC-id_134984735	241.285	QLGGBJCOZFLLFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013547
C=CCNC(c1ccc2-c1ccccc2)C(=O)O	PC-id_122388573	241.285	RGQUWXMHLYZEQB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013548
O(c1c(c2-c(c1C#N)ccccc2OC)CC)C	PC-id_15082606	241.285	SWZATOYEMUDDCC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013549
O(c1c(c2-c(c1)c(OCC)cccc2)C#N)CC	PC-id_15082600	241.285	ZFDQLSILFSPSQF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013550
Cc1nc2=CC=C=C(C=c2s1)S(=O)(=O)O	SCHEMBL20962163,PC-id_138600837	241.287	LKZSAVQWGHEQJG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013551
O=c1n2CCCCCc2nn1CC(OC)OC	PC-id_66221063	241.287	RVUAJUYZNJJXDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013552
Cc1ccc(cc1)/C=C
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Cc1ccc(cc1)/C=C/1Cn2c(cnn2)COC1	PC-id_134857938	241.288	UKZIPZCVCNPUQZ-AWNIVKPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013554
C/C(=CC=C)/C(=O)NC1=Cc2c(C=CC1)cn[nH]2	PC-id_141935041	241.288	YZGZOTXSYDSFIR-BJMVGYQFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013555
N#CC(CCn1c(=O)nc2-c1ccccc2)(C)C	EMOLS-id_319114304	241.288	NDLNAUYZWOJKTL-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-013556
O=C1c2c(CCCC1)cn(c2)Cc1ncccn1	PC-id_83208278,EMOLS-id_315761046	241.288	KPBLOBBNADXGGJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-013557
O=C1CCn2c(ccn2)CN1Cc1ccccc1	PC-id_118798786,EMOLS-id_56770854,ZINC22_261508842,MCULE-8517463498	241.288	XNFYEECRWZPUEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013558
O=C(c1nnc2-c1ccccc2)NC1CCCC1	PC-id_68958239,SCHEMBL4213286	241.288	KFBHJFOZZPUQDI-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-013559
O=C(N1CCc2[nH]cnc2CC1)c1ccccc1	PC-id_10130997	241.288	WGBMPCZYPUOQNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013560
Cc1nccc(c1)NC1=NCCCn2c1ncc2	PC-id_143460887	241.292	BWGVEBZJDRCHRY-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-013561
CC1CN(Cc2c(O1)c(CC)cs2)C(=O)O	SCHEMBL9903873,PC-id_67959438	241.307	GRKUZJKTNKUIFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013562
Cc1n2CCOCCOCCOCC[n+]1cc2	PC-id_101362797	241.307	ZMGCWXBEJNFNOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013563
CCN1CCc2c(CC1)cc(s2)OC(=O)O	SCHEMBL11305663,PC-id_70559999	241.307	HGJIWACDFRACTO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013564
CCN1CCCc2c(C1)cc(s2)OC(=O)O	SCHEMBL11303242,PC-id_70559303	241.307	DQQUASNLABCBBK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013565
CCOC(=O)c1c(N)sc2c1CCOCC2	PC-id_59379477,SCHEMBL8203239	241.307	FSPMWNRMQLNAQR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013566
CCOC(=O)c1nc2c(s1)C(O)CCCC2	PC-id_59738060,SCHEMBL14172831	241.307	RPFXAMHJWLDYLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013567
CCOC(=O)N1CCc2c(C(C1)O)ccs2	PC-id_68469869,SCHEMBL2994354	241.307	LQGVTHXTDQITNP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013568
CCOC(=O)N1CCc2c(C(C1)O)scc2	SCHEMBL4751951,PC-id_69174511	241.307	GNWNLALSQXWKFP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013569
CCOC(=O)N1CCc2c([C@H](C1)O)ccs2	PC-id_68469871,SCHEMBL2994358	241.307	LQGVTHXTDQITNP-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-013570
CCOC(=O)N1CCc2c([C@@H](C1)O)ccs2	SCHEMBL2994360,PC-id_68469873	241.307	LQGVTHXTDQITNP-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013571
CCOC(=O)Oc1csc2c1CCNCC2	PC-id_70921866,SCHEMBL13504681	241.307	QRBWMUWOPKPTLF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013572
CN1CCc2c(C(C1)C)sc(c2)OC(=O)O	SCHEMBL4432464,PC-id_69041723	241.307	LGFUJASFXOWWOQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013573
COC1CN(C)CCc2c1cc(s2)C(=O)O	SCHEMBL3310259,PC-id_68591109	241.307	LQBPGAWTMPXLRF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013574
COC1CN(C)CCc2c1sc(c2)C(=O)O	PC-id_69173117,SCHEMBL4748891	241.307	GQZOGDBELFGFAM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013575
COc1c(sc2c1CCN(CC2)C=O)CO	PC-id_89047532,SCHEMBL13266313	241.307	NEAMOISSWXSMFN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013576
CO[C@H]1CN(C)CCc2c1cc(s2)C(=O)O	PC-id_69174827,SCHEMBL4752664	241.307	LQBPGAWTMPXLRF-QMMMGPOBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013577
CO[C@H]1CN(C)CCc2c1sc(c2)C(=O)O	PC-id_69173118,SCHEMBL4748892	241.307	GQZOGDBELFGFAM-QMMMGPOBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013578
COC(=O)Oc1cc2c(s1)CCN(CC2)C	SCHEMBL4582601,PC-id_69102084	241.307	IDZODBXKACXGAE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013579
OC(=O)c1c(N)sc2c1CC(C)(C)OCC2	PC-id_143679427	241.307	JVYLODDHHUIQQJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013580
OC(=O)CCn1c(=O)sc2c1CCCCC2	EMOLS-id_37606682,PC-id_43286900	241.307	PQUFEINDHOYOHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013581
OC(=O)Cn1c(=O)sc2c1CCCCCC2	PC-id_43286846,EMOLS-id_37606648	241.307	ROROMVRTCJEKBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013582
OC(=O)N1CCOc2c(C1)scc2C(C)C	SCHEMBL9903600,PC-id_67959318	241.307	QCJKGPIODWBRSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013583
O=S(=O)(N1CCCc2c(C1)cco2)C1CC1	EMOLS-id_102371836	241.307	GPBNPCJQMCOWCV-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-013584
s1c(C(O)(C)C)c(c2c1OCCNC2=O)C	PC-id_20676182	241.307	SVGYOYVGTBUGLF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013585
O=C1C=Cc2n(C/C/1=Cc1cccs1)ccc2	PC-id_101582951	241.308	HQOAGHNUUGKYSC-PKNBQFBNSA-N	00000000100100000110000000000010000000000000000000000000	31-01-013586
CCc1nn(c2c1NC(=O)C(CS2=O)C)C	PC-id_105357189	241.31	YIOOQBRNWVVGQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013587
CCCc1nn(c2c1NC(=O)CCS2=O)C	PC-id_105357031	241.31	FXKSDGXZQBTBBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013588
CC(C(=O)O)Sc1nnc2n1CCCCC2	EMOLS-id_37228085,PC-id_16794213	241.31	QARQUFUIFZHDLU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013589
CCn1nc(c2c1S(=O)CC(C(=O)N2)C)C	PC-id_105357213	241.31	JOISMBVCPXKXSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013590
CCOC(=O)C1Cc2c(CCN1)sc(n2)N	PC-id_92019200	241.31	DAZKBAKSLWKZJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013591
CCOC(=O)N1CCc2nc(N)sc2CC1	EMOLS-id_8319197,MCULE-2582594070,PC-id_29971963,ZINC22_22048923	241.31	DUEWMTQRCZUXNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013592
CCOC(=O)N1CCCc2nc(N)sc2C1	MCULE-5098821553,PC-id_29971966,EMOLS-id_8319199,ZINC22_22048928	241.31	YIPBUARZMSWVJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013593
COC(=O)CSc1nnc2n1CCCCC2	ZINC22_20297733,MCULE-8323427990,PC-id_28825592,EMOLS-id_29683832,CoCoCo_3082105	241.31	MHFFSFLNDAYVJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013594
NC(=O)CN1CCCc2c(CO1)nc(s2)C	PC-id_141971027	241.31	KTIHRSQVDXQHIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013595
OC(=O)CCSc1nnc2n1CCCCC2	PC-id_16786716,EMOLS-id_37267506	241.31	NIMKOOMGLPXCHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013596
OC(=O)CSCc1nnc2n1CCCCC2	EMOLS-id_314335383,PC-id_104571085	241.31	FKFUQUPAADWGGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013597
s1c2=CN=CC(Nc3ccccc3)N=c2cc1	PC-id_57045296	241.312	XQSLWJWKMJPBRY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-013598
s1c2c(N=C(Nc3ccccc3)CN=C2)cc1	PC-id_57104077	241.312	WJDUDYDPHQRNLF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-013599
NNC(=O)CSc1nnc2n1CCCCC2	PC-id_63581158,EMOLS-id_39890746	241.313	UBEOLAZAOIWENI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013600
S(c1n2CCCCCc2nn1)C/C(=N/O)/N	PC-id_43176867	241.313	GDCNMVMQUYKIHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013601
Cc1cc(c2-c1ccccc2)CN1CCOCC1	PC-id_101178025	241.328	JHGQEOUOQSAOIQ-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-013602
CCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)N	PC-id_139664597	241.328	MCCBDNVETHBQON-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013603
CCc1cc(c2-c1cccc(c2)C(C)C)C(=O)N	PC-id_139664600	241.328	HVWBOCXDNGGIJP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013604
C/C=C/C=c/1c(=C/N)oc2c1C=CC(C=C2)(C)C	PC-id_142910940	241.328	JCIDGARSPPRBLJ-BAGUFKFTSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013605
OC1c2c(CCCC1)cn(c2)Cc1ccccc1	PC-id_83208641,EMOLS-id_107529970	241.328	LIDFWCMPGUBCGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-013606
CC(=O)c1c(C)sc2c1OCCNC2=S	PC-id_139776037	241.33	LKBPDFCDBDKZGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013607
S1c2c(scc2)C=C(NC1)C(=O)OCC	PC-id_12812220	241.33	CBIMIXPZKFHDHJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013608
C1CC(CCC1Cc1c2-c(ncc2)cccn1)N	PC-id_137094461	241.331	VCHIRSPJGKZVAY-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-013609
c1ccc(cc1)NCc1n[nH]c2c1CCCCC2	PC-id_55035701,EMOLS-id_315210464	241.331	YMOHWUNKOQLCRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013610
c1ccc(Cn2nnc3c2CCCCCC3)cc1	SCHEMBL11913655,PC-id_57552507,MCULE-5054430941,EMOLS-id_49251462,ZINC22_96032199	241.331	ASEWZJKKRTXARW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013611
C1CCCn2c(CC1)nnc2Cc1ccccc1	PC-id_22722132,SCHEMBL5638587	241.331	DPYXLRGXSJPBIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013612
C/C=Cc1c(N=CC)c2c(n1C)C=C[C@@H](C=N2)C	PC-id_144591089	241.331	IXFIAQUQJRWIPN-YJNDVJJHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013613
O=C(Nc1cc2-c(cc(NC(=O)C)c1)ccc2)C	PC-id_85699325	242.273	OCSHDPIOPSWZOB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013687
C=C/C=CC1=C(C)N(N)Cc2c(C1=C)n(C)cc2	PC-id_145694941	241.331	MCWMBSNIVNFEPW-SREVYHEPSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013614
C[C@@H]1CC(C1)N(C1=c2cc[nH]c2=C=CCC=N1)C	SCHEMBL19944099	241.331	IVZPEADGUINAMP-NQGVJZDGSA-N	00001000100000000110000000000010000000000000000000000000	31-01-013615
n1(cc2C(N)CCCCc2c1)Cc1cccnc1	PC-id_83208636	241.331	HTUZZGHWSCGGNL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-013616
n1(cc2C(N)CCCCc2c1)Cc1ccncc1	PC-id_83207936	241.331	SFAVDHCIFVJVBW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-013617
n1(cc2C(N)CCCCc2c1)Cc1ncccc1	PC-id_83208548	241.331	RFBPGFCWFFKAGE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-013618
NC1CCCCc2c1cnn2Cc1ccccc1	PC-id_107384270	241.331	GMQUECSVMXRXSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013619
Nc1ccc(Cc2n[nH]c3CCCCCc23)cc1	EMOLS-id_337935897	241.331	XFWWOSNJTVEHLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013620
Nc1cccc(Cc2n[nH]c3CCCCCc23)c1	EMOLS-id_337933593	241.331	NOOYWBUDMYNKEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013621
[NH+]1(CCCn2c(C1)ccc2)Cc1ccc(cc1)C	PC-id_26791715	241.351	JPMBLFYWSCCMRK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-013622
[NH+]1(CCCn2c(C1)ccc2)CCc1ccccc1	PC-id_26791717	241.351	USWGMNOFAXQNTH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-013623
CC(CCSc1nnc2n1CCCCC2)O	EMOLS-id_315861616,PC-id_104318653	241.353	OWIHYMKJOFGDAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013624
CCC(CSc1nnc2n1CCCCC2)O	PC-id_60878046,EMOLS-id_37914002	241.353	KHZACRIGXUXENB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013625
CC(CSc1nnc2n1CCCCC2)(O)C	PC-id_60489821,EMOLS-id_37914004	241.353	WBCQHMGSDSBFOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013626
OCCCCSc1nnc2n1CCCCC2	EMOLS-id_37681633,PC-id_43510105	241.353	KWMFGTMVGJNIQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013627
OCC(CSc1nnc2n1CCCCC2)C	PC-id_115870827	241.353	CSOWMQONJGZDKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013628
S(c1n2CCCCCc2nn1)CCCOC	PC-id_60457071	241.353	URJRMBVFSSPJII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013629
S(c1n2CCCCCc2nn1)C(C(O)C)C	PC-id_80076660	241.353	OWBCHVJDROXXKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013630
CC/C=Cc1c(C=C)c2=CCCC(C=c2n1C)C	PC-id_142373876	241.371	XYYOXOSNORBAFB-XFFZJAGNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013631
NCCc1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_13435109	241.371	WGQDWJSSWJKOHH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013632
CCSc1cc2c(s1)CCN(CC2)C=O	SCHEMBL12671870,PC-id_88945865	241.373	SYLRFGWZRREBDR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013633
CSC1=NCCCc2c1cc(s2)C(O)C	PC-id_139776167	241.373	LCHQKHDRCJMHKA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013634
S1CCC(CN(C)C)C(=O)c2c1scc2	PC-id_10800167	241.373	OHUTXCANIOWXFA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013635
[2H]c1cc(c2-c1ccc(cc2)C(C)(C)C)C(C)(C)C	PC-id_101344330	241.389	ZHWDGFMZAAFMPU-BNEYPBHNSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013636
CC(c1nc2c(s1)CSCC(C2)(C)C)C	PC-id_142563233	241.416	XYEWSJNZILFACO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013637
CCSc1cc2c(s1)CCN(CC2C)C	PC-id_70793621,SCHEMBL12886566	241.416	MEKUOOWXHOHOCJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013638
Brc1c2-c(cc1)cc(Cl)ccc2	PC-id_13465556	241.512	SCHDKOFZGVRSEB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013639
Brc1cc2-c(c1)ccc(Cl)cc2	PC-id_13465558	241.512	XJNBCMNOGWNCBY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013640
Brc1cc2-c(c(Cl)cc2)ccc1	PC-id_13465557	241.512	KPKWWJRTLPGVAN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013641
Brc1cc(c2-c1ccccc2)Cl	PC-id_122206700	241.512	GLSQXFAJIDCYTE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013642
Brc1ccc2-c(cc(Cl)c2)cc1	PC-id_13465559	241.512	PZUVUVYRRZWTFJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013643
ClCC(=O)NC1CCNC(=O)c2c1cc[nH]2	MCULE-2170237021	241.674	KNCDVPOBIVRBNC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013644
Clc1n2CCCCCc2nc1C(=O)CNC	PC-id_84059355	241.717	WUXVHWJRIMCEPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013645
Clc1n2CCCCCc2nc1C(=O)C(N)C	PC-id_84059356	241.717	MKWNNDKKVPWRQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013646
O=C(N1CCCc2c(C1)cnn2C)C(Cl)C	PC-id_145906876,MCULE-1776887196	241.717	FPSXEZKJFBYVPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013647
CCN1CCC(=C(c2c1ccs2)Cl)C=O	SCHEMBL19454611	241.737	GOAFOGCQUNZGTC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013648
Clc1n(nc2c1CCCCC2)CCN(C)C	PC-id_66022853	241.76	DBRINRVIGYHGOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013649
[B]N1CCc2c(CC1)sc(c2)Br	PC-id_89065995	241.944	SPNZFNLTMMCMGU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013650
C1=CN=NC2=CNN=C2C(=C1)C(=O)C(F)(F)F	SCHEMBL11881107,PC-id_154043634,PC-id_136427672	242.042	JMYMESDCMHEPPD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013651
Brc1cc2C(=C)CNC(=O)Cn2n1	PC-id_135343133,MCULE-8166732094,EMOLS-id_336520315,SCHEMBL20517475	242.073	DOPWCIILNQBJCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013652
O=c1[nH]nc2n1C=CC(C=C2)(C)Br	PC-id_145579679	242.073	SPWTUJBLKWBFGS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013653
OB(C1=CCC=c2c(=C1)c(/C=CC=C)c(o2)C)O	PC-id_144713831	242.078	SUAYPWNEAOMBAY-DAXSKMNVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013654
CCC1(C=C(C=C2C=C(NC2=C1)C(=O)O)C#N)C	PC-id_163760592	242.106	LXVNJKQPMJGJSZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013655
Brc1[nH]c2CCCCC(=O)c2c1C	PC-id_85766925	242.112	HGJDXWCHHVXRNZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013656
CCC1=CSC/2=C1C(=C)C=C/C=CCC/C=C2	PC-id_163619073	242.113	HMNKTPIPQDQSNQ-JGAHUKDCSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013657
BrC1=CCCc2c(CC1)n(C)nn2	PC-id_118281970,SCHEMBL16976977	242.116	VPDIRODYJLJYHM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013658
CC1=C2CC(=O)N/C(=C/C=C)/C(=CC=C)/N2N=N1	PC-id_153378916	242.117	NBSZVZXFEXMFPF-JMQWPVDRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013659
CC(c1ccc(c2-c(c1)c(C)c(c2)B(O)O)C)C	PC-id_144350584	242.121	NXPOKBIDVYKYNO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013660
CC(C)(C)C1=CC=C2C=C(C=C2C=C1)C(=O)OC	PC-id_165372156	242.131	VXZAPMKWIMMHFU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013661
CC1C=Nc2c(C=C1)scc2Br	PC-id_143306206	242.136	NLWRGCWGPQZUSO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013662
O=C1OC(=O)c2occc2OC(=O)C(C1O)O	PC-id_142790569	242.139	MZVQHRCRRZORTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013663
O=c1oc2-c(c1C(=O)C(F)(F)F)ccccc2	PC-id_139790785	242.151	OTZGAAYZCKJPJY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013664
OC1C(O)C(O)C(=O)C(=O)c2[nH]c(C1O)cn2	PC-id_54099157	242.185	MZHZRFPWIIGERJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013665
OC1C(=O)c2c[nH]c(n2)C(=O)C(C(C1O)O)O	PC-id_67162858,SCHEMBL1792667	242.186	LWERVCAZMDFIPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013666
FC1(F)COc2cscc2OCC1(F)F	SCHEMBL5731762,PC-id_22222149	242.191	NGJWJEDHNUQKAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013667
s1c(c2OCC=COc2c1C(=O)O)C(=O)O	PC-id_22222151	242.205	DANYDBQXNCJVQN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013668
CSc1nn2CC(=O)C(=NNc2n1)[N+](=O)[O-]	PC-id_137181481,SCHEMBL19301140	242.215	LEPKYZAANDWBNB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013669
O1C(CNc2n(C1)cnc2C(=O)N)C(O)CO	PC-id_77399892	242.232	VNMOHTZGZYSEJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013670
O1[C@H](CNc2n(C1)cnc2C(=O)N)C(O)CO	PC-id_68043828,SCHEMBL10135725	242.232	VNMOHTZGZYSEJK-PRJDIBJQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013671
CCOC(=O)c1c2-c(c(c1O)C#N)ccc(cc2)[2H]	PC-id_102010372	242.248	VMDVGKVVEKUNRQ-WFVSFCRTSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013672
FCCNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_318911057	242.253	OSRVQNJACLLYTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013673
Cc1nsc2c1NC(=O)C(CN2)NC(=O)O	SCHEMBL19031540,PC-id_137199981	242.255	HJEMOSZAGURAFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013674
ONC(=O)c1cn2c(n1)C(=O)N(CCC2)S	PC-id_144264909	242.255	VSZSWWDMDUUABK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013675
COc1c2CCOCCOCCc(c1OC)o2	PC-id_101341339	242.268	MHNRNADHPURUBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013676
O(c1c2-c(c(c1C(=O)C)C)ccccc2)C(=O)C	PC-id_11096785	242.27	IHBNFTXIIQJDKD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013677
O=C(CCCC(=O)O)c1c2-c(cc1)ccccc2	PC-id_72712757	242.27	GPWDFCULBDATHN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013678
O(C(=O)c1c2-c(c(c1)C(=O)C)ccccc2)CC	PC-id_10728859	242.27	KUMOLQSBKSJENO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013679
OC(=O)c1c2-c(c(c1)C=O)cccc(C(C)C)c2	PC-id_10705328	242.27	WNSKTDVKJKPHMD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013680
O(C(=O)c1c(cc2-c1ccccc2)CC(=O)C)C	PC-id_14972937	242.27	RHJCEGYGICOIAB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013681
O(C(=O)c1c(c(c2-c1ccccc2)C(=O)C)C)C	PC-id_11425019	242.27	AJIYNAHTSPGSON-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013682
O(C(=O)c1c(c(c2-c1ccccc2)C=O)CC)C	PC-id_85906962	242.27	WVZIQEGIPDERIU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013683
O(C(=O)Cc1c(c2-c(c1)ccccc2)C(=O)C)C	PC-id_14972946	242.27	NBOFUKNAJKEMSW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013684
CNC(=O)c1cc(c2-c1ccccc2)C(=O)NC	PC-id_101438975	242.273	OQNRIBAFUVYHSS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013685
O=C(Nc1c2-c(c(NC(=O)C)c1)ccccc2)C	PC-id_86151929	242.273	DIDQXRGKNNZZJF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013686
O=C(N(C)C(=O)NC)c1c2-c(cc1)ccccc2	PC-id_85756755	242.273	CBXGQZMDBIFZAT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013688
O/N=C(c1c2-c(c(c1)C(=NO)C)ccccc2)/C	PC-id_71674244	242.273	AIUOUPSTDGMTBT-HDGREHCUSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013689
O/N=C(/c1c2-c(c(c1)/C(=N/O)/C)ccccc2)C	PC-id_71675981	242.273	AIUOUPSTDGMTBT-KAVGSWPWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013690
O/N=C(/c1cc(C(=NO)C)c2-c1ccccc2)C	CNP0316661,PC-id_78146363	242.273	AIUOUPSTDGMTBT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013691
c12C(=O)NCCCc1[nH]c(Cc1ccncc1)n2	ZINC22_65503898,EMOLS-id_32429104,PC-id_50980382,CHEMBL4580684,MCULE-6452256206	242.276	CNASWQIOGWYDRR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-013692
C1CNC(=O)c2c(N1)n(nc2)Cc1ccccc1	PC-id_137211396	242.276	LSBQZRHBUWXAMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013693
OC1c2n(Cc3ccccc3)cnc2NC=NC1	PC-id_10562129	242.276	BAYCMBABPJGMTC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-013694
OC1CN=CNc2c1ncn2Cc1ccccc1	BindingDB_PC-id_327151,PC-id_327151,CHEMBL37640	242.276	ZHXZKSYUECAEFG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-013695
O=C1NCCc2c(N1)ncn2Cc1ccccc1	PC-id_97777106	242.276	YLOMDWWHWNYSOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013696
O[C@H]1CNC=Nc2c1ncn2Cc1ccccc1	CoCoCo_5586581,LI_66879,NSC300894	242.276	ZHXZKSYUECAEFG-NSHDSACASA-N	00000000100000110111000000000010000000000000000000000000	31-01-013697
O[C@@H]1CNC=Nc2c1ncn2Cc1ccccc1	CoCoCo_5586582	242.276	ZHXZKSYUECAEFG-LLVKDONJSA-N	00000000100000110111000000000010000000000000000000000000	31-01-013698
CC(=O)Oc1coc2c1O[Si]O[Si]OC2	PC-id_91430032	242.29	ZHSLGTYJAHAOLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013699
CC(=O)c1n(C)nc2c1CCS(=O)(=O)CC2	PC-id_105503738	242.295	JMOHWLBQGOZVGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013700
CCOC(=O)ON1CCc2c(CC1)ncs2	PC-id_68443077,SCHEMBL2925057	242.295	LFJUDHMURGEEBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013701
Cn1nc(c2c1CCS(=O)(=O)CC2)C(=O)C	PC-id_105503737	242.295	BCVVHBJXXSYHJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013702
s1c2c(CCNCC2)c(OC(=O)OC)c1N	PC-id_70464152	242.295	WXFCZKYDLYWURZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013703
CSCC1NCCCn2c1nnc2C(=O)O	MCULE-2779193692,EMOLS-id_208139817	242.298	SPRKSIBNVPMCRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013704
S1(=O)(=O)CCCCn2c1nc(c2)CC(=N)N	PC-id_83676857	242.298	DKILLXQKLHZLFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013705
S1(=O)(=O)CCCCn2nc(cc12)CC(=N)N	PC-id_83676853	242.298	ZIOYGFWGWXHQAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013706
CCCNC1CCCCc2c1cn(c2)C(F)F	EMOLS-id_314476634,PC-id_83212922	242.308	QEAICVVORQPQKF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013707
CCNC1CCCCc2c1cn(c2)CC(F)F	PC-id_83212751,EMOLS-id_315765905	242.308	LKEFLNWKDVZWON-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013708
CCc1cc(c2-c1cccc(c2)C(C)C)C(=O)O	PC-id_14515740,SCHEMBL10414618	242.313	PMOJFVOXNUWSHW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013709
CCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	SCHEMBL10415527,PC-id_14515738	242.313	OZHLDQZFSKXNFX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013710
CCCCc1ccc2-c1cc(ccc2)C(=O)OC	PC-id_141580595	242.313	LKGRPBYXNWWVLA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013711
CCOC(=O)c1cc(c2-c1ccccc2)C(C)C	PC-id_134859776	242.313	YIARNRGUWRFVGA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013712
CCOC(=O)CCCc1ccc2-c1ccccc2	PC-id_53695641,SCHEMBL9381508	242.313	BQIKVZVMSSXSHJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013713
CC(=O)Oc1ccc(cc2-c1ccc2C)C(C)C	PC-id_70520761,SCHEMBL11127561	242.313	QXMYFSFSLKIRTJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013714
COC(=O)c1cc2-c(c1C)c(C)cc(cc2C)C	PC-id_122228107	242.313	CMMXGKYSZJKYLN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013715
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)C	PC-id_139631366	242.313	WHQLNZXIXYEDSX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013716
COC(=O)c1c(C)cc2-c1ccc(cc2)C(C)C	PC-id_22634768,SCHEMBL6914035	242.313	HGZZHABSWJXDNL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013717
COC(=O)c1c(C)cc2-c1cc(ccc2)C(C)C	SCHEMBL8849316,PC-id_10857654	242.313	CNURRDGUSKKATA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013718
COC(=O)c1cccc2-c(c1)c(cc2)CC(C)C	PC-id_141580585	242.313	BSMFEWXPYYAFQY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013719
COC(=O)[C@@H](C)c1ccc(C)c2-c(c(cc2)C)c1	PC-id_11842693,CHEMBL497089	242.313	YOHSPPFBWCCIPD-LBPRGKRZSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013720
O=C(c1c2-c(c(c1)C)ccc(OC)cc2)CCC	PC-id_86148599	242.313	LHJYCJKLCACVLO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013721
O=Cc1ccc2-c1cc(ccc2C)C(OC)(C)C	PC-id_46844470,CNP0180596	242.313	DJCNUNUWHBAFMB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013722
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O(C(C)(C)C)C(=O)c1c2-c(cc1)ccc(cc2)C	PC-id_12065880	242.313	BPBPXQLJCBLIQZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013724
O(C(C)(C)C)C(=O)c1c2-c(c(c1)C)ccccc2	PC-id_12065882	242.313	SDJSWUJMABBUNX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013725
O(C(=O)c1c2-c(c(c1)C)cccc(C(C)C)c2)C	PC-id_10263775	242.313	YUEYTJDHNYOEOJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013726
OC(=O)c1c2-c(c(c1)CC)cc(C(C)C)ccc2	PC-id_14515747	242.313	VCPQILMGCXWHQT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013727
O(C(=O)c1c2-c(c(cc(cc2C)C)C)cc1)CC	PC-id_86169985	242.313	PXMRSKBNDNRZPA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013728
O(C(=O)c1c2-c(c(CCCC)c1)ccccc2)C	PC-id_10354387	242.313	ZMJXAFJFLVMNNB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013729
O(C(=O)c1c2-c(c(C(C)C)ccc1)ccc2)CC	PC-id_56610421	242.313	ZRSAWVYJDBPVSH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013730
O(C(=O)c1c2-c(cc(C(C)C)cc1)ccc2)CC	PC-id_56619612	242.313	LMUJMVCROPQQCU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013731
O(C(=O)c1c2-c(ccc(C(C)C)cc2)cc1)CC	PC-id_56612041	242.313	GCNNVAFVIBMGMY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013732
O(C(=O)c1c2-c(cc(C(C)C)ccc2)cc1)CC	PC-id_56626098	242.313	ZMYPYGBSTAGQMY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013733
O(C(=O)c1c2-c(c(C(C)C)cccc2)cc1)CC	PC-id_56627868	242.313	CRXBTRSHAWVVNY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013734
O(C(=O)c1c2-c(ccc(C(C)(C)C)cc2)cc1)C	PC-id_15440521	242.313	PRXIPSIXSOETRK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013735
O(C(=O)c1cc2-c(c1)cccc(C(C)C)c2)CC	PC-id_56621819	242.313	CHHOFHJTCARHTK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013736
O(C(=O)c1cc2-c(ccccc2C(C)C)c1)CC	PC-id_56629771	242.313	GYUPURMUQDAFPD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013737
OC(=O)Cc1c2-c(cc(C(C)C)cc1)c(cc2)C	SCHEMBL11127559,PC-id_70520759	242.313	VXMZNADVUKJXQV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013738
O(C(=O)C(c1cc2-c(c(cc1)C)ccc2C)C)C	PC-id_73122656	242.313	YOHSPPFBWCCIPD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013739
O(C(=O)CCc1c2-c(c(cc(c1)C)C)ccc2)C	PC-id_85604034	242.313	DMRYHZWZFDFTAL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013740
OC(=O)CCc1c2-c(cc(C(C)C)ccc2)cc1	PC-id_85570903	242.313	FROMBZVDOPMILA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013741
OC(=O)CCCc1c2-c(c(cc(c1)C)C)ccc2	PC-id_85604064	242.313	VVIQNOLIJMHHIS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013742
OC(=O)CCCCCc1c2-c(cc1)ccccc2	PC-id_85570899	242.313	TXYORLHHSPPPEC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013743
C#CC(c1ccc2-c1ccccc2)c1ccccc1	PC-id_101206964	242.314	NDWKTBJANGVVFN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-013744
OC(=O)CC1CCSc2c(C1=O)ccs2	SCHEMBL7288669,PC-id_10633928	242.315	MFXYPSPUVYOJPA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013745
CNC(=O)C(Cc1ccc2-c1ccccc2)NC	SCHEMBL13139744,PC-id_59475586	242.316	HZSDIRAJZNMNDJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013746
N#CCC1(CC1)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_315108142,PC-id_83207486	242.316	YZXZOGHGMZZSPQ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-013747
o1c(C(=N)c2c3n(CCCCC3)c(c2)C)ccc1	PC-id_10847755	242.316	AWLUXHGLCUWIJR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-013748
OC1c2c(CCCC1)cn(c2)Cc1cccnc1	PC-id_83208801	242.316	PPBKXAHHDRWBFF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-013749
OC1c2c(CCCC1)cn(c2)Cc1ccncc1	PC-id_83208054	242.316	ARFMVMXVTUZSRO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-013750
OC1c2c(CCCC1)cn(c2)Cc1ncccc1	PC-id_83209086	242.316	CKOOCVZSVXIOHI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-013751
O=c1nc2-c(n1CC1CC(C1)(C)C)ccccc2	EMOLS-id_320202283,MCULE-1157032075	242.316	RQDKEBWMHGGKID-UHFFFAOYSA-N	00001010100000000111000000000010000000000000000000000000	31-01-013752
O=c1nc2-c(n1CCC1CCCC1)ccccc2	EMOLS-id_319294552	242.316	RITUGDBBJXQMFQ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-013753
Oc1n(Cc2ccccc2)nc2c1CCCCC2	EMOLS-id_114798412	242.316	KGESTBYQXYGOMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013754
O=c1n([nH]c2c1CCCCC2)Cc1ccccc1	PC-id_66021060	242.316	ZFQFDTRNCNYMCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013755
C1CCC(=O)c2c(C1)nc(s2)NC(=O)S	SCHEMBL692482,PC-id_87142591	242.318	FXQYEBLZNMUVKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013756
c1ccc(CCc2nc3n(n2)CCNCC3)cc1	ZINC22_2356160177,EMOLS-id_337807205,MCULE-1764126634	242.32	HAMSJHXZNODRFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013757
c1ccc(CCc2nnc3n2CCNCC3)cc1	PC-id_56704789,MCULE-9666754267,EMOLS-id_36428976,ZINC22_67654668	242.32	JVSCBIIONGKQLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013758
c1ccc(CNc2nnc3n2CCCCC3)cc1	PC-id_1538868,ZINC22_1468180,MCULE-6808270864	242.32	RRALQPNFJGLEIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013759
c1ccc(NCc2nc3n(n2)CCCCC3)cc1	MCULE-3764751143,ZINC22_28527219,PC-id_16458551,EMOLS-id_32193168,CoCoCo_6600678	242.32	ORVQUDDUNVVKBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013760
c1ccc(NCc2nnc3n2CCCCC3)cc1	EMOLS-id_829387,ZINC22_3171849,BindingDB-id_77906,CoCoCo_5791795,MCULE-1193502519,BindingDB_PC-id_2310790,PC-id_2310790,CHEMBL1876849	242.32	OOJNELXWRKRYSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013761
Cc1ccccc1CN1CCn2c(CC1)nnc2	CoCoCo_1383555,PC-id_26347002,CoCoCo_1383554	242.32	FCLJBPXQNSTZLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013762
Cc1ccc(CN2CCc3nncn3CC2)cc1	MCULE-8230142193,CoCoCo_1371055,CoCoCo_1371056,ZINC22_14988600,EMOLS-id_20568663,PC-id_26343135	242.32	WXGSNJJUBBVUQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013763
CC1CN(Cc2cccnc2)Cc2c(C1)[nH]nc2	EMOLS-id_319426943	242.32	LEKKDDUKXVOJRP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-013764
CC1CN(Cc2ccncc2)Cc2c(C1)[nH]nc2	EMOLS-id_319007638	242.32	BAUIKYCAIANIQR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-013765
n12CCCCCc1nnc2Cc1ccc(cc1)N	MCULE-6447083249,EMOLS-id_46573989,PC-id_43142824	242.32	NCPHHZCFNVXBJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013766
n12CCCCCc1nnc2Cc1cc(N)ccc1	PC-id_65345287,EMOLS-id_315345506	242.32	KFOLNLXLUKCLKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013767
n12CCCCCc1nnc2Cc1c(N)cccc1	EMOLS-id_315237902,PC-id_55086095	242.32	OUFOYKDVQDRQOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013768
n12CCCCCc1nnc2C(N)c1ccccc1	PC-id_43142829	242.32	HFOYHUCYFVEBCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013769
n1(cc2C(N)CCCCc2c1)Cc1ncccn1	PC-id_83208148	242.32	PKNWEWOHFUTCEE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-013770
N1(CCc2c([nH]nc2N)CC1)Cc1ccccc1	PC-id_83870740	242.32	TZTAWBYWPDWALU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013771
N1CCC(CC1)CNc1nc2-c(n1)ccccc2	PC-id_85672388	242.32	KSCSQLVDDJUEBK-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-013772
N1C(CCCC1)CNc1nc2-c(n1)ccccc2	PC-id_85672392	242.32	DTKCNIGLNAZDQK-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-013773
N1CC(CCC1)CNc1nc2-c(n1)ccccc2	PC-id_85672413	242.32	FRONLBRQWNAHGK-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-013774
N1(CCN(Cn2c1ncc2)C)Cc1ccccc1	PC-id_21788614	242.32	AVAWHTVKRNCQHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013775
Nc1cc2CN(Cc3ccccc3)CCCn2n1	EMOLS-id_259712259,MCULE-9040077711,ZINC22_685939329	242.32	VLMMATOFNNHYJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013776
N(C1CCC(N)CC1)c1nc2-c(n1)ccccc2	PC-id_85672409	242.32	VEHAZJSHGRLNAW-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-013777
N(C1CC(N)CCC1)c1nc2-c(n1)ccccc2	PC-id_85672398	242.32	PXLAQGFLAZAKQU-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-013778
Cc1cn(c2c1CN(CCC2)S(=O)(=O)C)C	SCHEMBL19297258	242.338	SGPCOPFUIGFJHI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013779
CC(C)S(=O)(=O)c1cnc2n1CCCCC2	PC-id_135209478,SCHEMBL20364518	242.338	TZDRIIBCQGITGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013780
CCS(=O)(=O)N1CCCc2c(C1)c(C)c[nH]2	SCHEMBL17232657,PC-id_118491641	242.338	NSCRCNVNYVUGQR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013781
Cn1nc(c2CCCCCCc12)S(=O)(=O)C	EMOLS-id_337968927	242.338	VWRJCPMXAAPBLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013782
O=S1(=O)CCCn2c(C1)cc(n2)C(C)(C)C	PC-id_58540241,SCHEMBL12024996	242.338	FOELQESZDBIIAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013783
C1CCc2c(C=C1)sc(n2)Nc1ccccc1	PC-id_122225934	242.339	KREVDJFEKVSDIL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-013784
NCC(CSc1nnc2n1CCCCC2)O	PC-id_43188121,EMOLS-id_37419085	242.341	SBGAFIOBFLIOKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013785
Cc1nn(c2c1sssc(n2)C#N)C	PC-id_86346593,CT-id_4029993	242.344	UGDLVMNYEKWLCQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013786
CCC(c1ccc(c2-c(c1)ccc2)O)(C(C)C)C	SCHEMBL9697113,PC-id_19913334	242.356	MRYMMFQLFNRSQV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013787
CCC(c1ccccc2-c1c(cc2)CC(C)C)O	PC-id_140359428	242.356	LNZYTFSTCMDROU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013788
CCOCc1ccc2-c1cc(ccc2C)C(C)C	PC-id_101663903	242.356	YLQFWRIVRZGTQP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013789
FCCN1CCc2c(CC1)nc(s2)C(C)C	SCHEMBL18375021	242.356	NJEQMQOPMANEKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013790
O(c1c2-c(ccc2CCCCCC)cccc1)C	PC-id_15602642	242.356	QXUPWLYRYMYQHV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013791
O(c1c2-c(ccc2CCC)cc(C(C)C)cc1)C	PC-id_15602644	242.356	FNHKTYIFWKMQGH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013792
O(c1c2-c(cc(C(C)C)cc1)ccc2)CCCC	PC-id_56619507	242.356	AVEMDIIGVFPPCR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013793
OCCCc1c2-c(cc(C(C)C)cc1)c(cc2)C	SCHEMBL9323202,PC-id_14401345	242.356	KHROQMALYLYJLI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013794
CCCC1(CC)N/C=C/C=CC=C\n2c1ccc2	PC-id_144114222	242.359	VUJBEFWSPVBHID-YWOCLXOXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013795
CN(Cc1cc(CN(C)C)cc2-c(c1)ccc2)C	CoCoCo_5632869,PC-id_341998,NSC376742,LI_74868	242.359	QQEFTYRIWMUMAG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013796
N(Cc1c2-c(c(c1)CN(C)C)ccccc2)(C)C	PC-id_85799453	242.359	SXDMDVCOMLQIBT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013797
N/C=Cc1c(C)[nH]c2=CC(C=C(C=c12)C(C)C)C	SCHEMBL18889873	242.359	MYGBAIQUMRDMTN-WAYWQWQTSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013798
S(CCC1N=C(N)c2sccc2OC1)C	PC-id_53827779	242.361	GAHSBXTYYMNHGJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013799
CC(/C=CC(=C)c1cc2c(s1)CC=CC=C2)C	PC-id_144512233	242.379	LPGLNYDTQBFEEB-KTKRTIGZSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013800
s1c2C(CCCC(c2sc1=O)(C)C)(C)C	PC-id_85866631	242.401	IKIZEMIFLURMCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013801
s1c2CCCCCCc2nc1[C@@H](N)CS	PC-id_83299784	242.404	PMZLKMPOWUOQFB-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013802
CC[Si](c1cc2-c(c1)ccccc2)(CC)CC	PC-id_122222400	242.431	AKGOSUUMNMBDGG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013803
s1c2SSSSSc2cc1	PC-id_406616,NSC724856	242.449	HRHNOZVOGOMOPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013804
s1cc2SSSSSc2c1	PC-id_13479557	242.449	XEYWALSCYSYBJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013805
Brc1nc2-c(c1Cl)ccccc2	PC-id_102074473	242.5	JSNDQBZLELYGRC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013806
Clc1nc2-c(c1Br)ccccc2	PC-id_101450301	242.5	RDDGWBMJWKICRA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013807
Clc1n(c2c(N(C(=O)CN(C2=O)C)C)n1)C	PC-id_611678	242.662	YKPDJKWJYIVUSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013808
Clc1n2CCCCCc2nc1CCC(=O)O	PC-id_84059442	242.702	SENAGBMJBKAUMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013809
Brc1cc2c([nH]1)C(=O)NCCC2=O	ZINC22_13310237,EMOLS-id_4359122,PC-id_11064594,BindingDB_PC-id_11064594,CMNPD1938,SCHEMBL7837428,CNP0119961,MCULE-7514941089,UNPD178483,CHEMBL440356	243.057	INYSELGLAAADNH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013810
Brc1c[nH]c2c1C(=O)CCNC2=O	PC-id_11806834,MCULE-2627533454,EMOLS-id_28326363,CMNPD16957,NP_16617,CNP0254477,SCHEMBL7845370,UNPD213775	243.057	ZKHBJGRWURQUKB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013811
Brc1[nH]c2c(C(=O)NCCC2=O)c1	PC-id_21575432	243.057	CPGYDEXLNYRVHA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013812
CN1CCCC2=C(NC=C2S1(=O)=O)C(=O)N	PC-id_163973898	243.068	SSKABQHTVKBMKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013813
CC1(COC2=CSC=C2OC1)CNCCO	PC-id_165154607	243.093	YHLYOCXMHMUUBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013814
Brc1n(c2c(CCCNC2=O)c1)C	PC-id_83488066	243.1	YFKWQTXDFAVICR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013815
Brc1n(c2CCCC(=O)Nc2c1)C	PC-id_83488067	243.1	YAMXRGBZTKBECT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013816
Brc1n(c2CCC(=O)NCc2c1)C	PC-id_83488065	243.1	GAGCAPVFBPILDC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013817
Brc1[nH]c2CCCC(=O)Nc2c1C	PC-id_82386648	243.1	QPTRUSVZHRVWMM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013818
Brc1[nH]c2c(CCN(CC2=O)C)c1	PC-id_82386649	243.1	ZSTMVZBPVFTNBO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013819
Brc1[nH]c(c2c1CCCNC2=O)C	PC-id_82622231	243.1	JUSLPYNSGBZHKM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013820
C=C1CCC(Cn2c1cc(n2)Br)O	SCHEMBL20517183,PC-id_135342865	243.1	XCYGVFMQGIYIBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013821
CC1CCn2cc(Br)cc2C(=O)N1	MCULE-8747091985,EMOLS-id_96746519	243.1	RWWHNWAGXCAWFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013822
CC1CCNC(=O)c2cc(Br)cn12	EMOLS-id_96735827,MCULE-1580461760	243.1	GQZDGCQYYQCXIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013823
C[C@H]1CCn2cc(Br)cc2C(=O)N1	ZINC22_307745450	243.1	RWWHNWAGXCAWFB-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-013824
C[C@@H]1CCn2cc(Br)cc2C(=O)N1	ZINC22_307745451	243.1	RWWHNWAGXCAWFB-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013825
C[C@H]1CCNC(=O)c2cc(Br)cn12	ZINC22_306227111	243.1	GQZDGCQYYQCXIO-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-013826
C[C@@H]1CCNC(=O)c2cc(Br)cn12	ZINC22_306227113	243.1	GQZDGCQYYQCXIO-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013827
CN1C(=O)CCCn2c1cc(c2)Br	SCHEMBL19224566	243.1	MPSQVBKLCNGXCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013828
C/C=CC(=C/C)C1=NC2=C(S1)C=CC(C=C2)C	PC-id_154662544	243.108	AFVXGXWKYBFFJK-GLNLJRCCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013829
OC(=O)CC(c1c[nH]c2c1ccb(cc2)C)(C)C	PC-id_143239357	243.109	RDPRAQBEZNZRBY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013830
CC(C)C1=NN2CC(=O)N(CC(C2=C1)(F)F)C	PC-id_153397760	243.118	IPZODTCUQOZWAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013831
CC(C)C(=O)C1(C=C(C=C2C=CNC2=C1)C=O)C	PC-id_153559403	243.126	BKEUNUBDXQBHJA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013832
C1CCN(C1)CCN2C3=CC=CC=CC3=NC2=O	PC-id_154211084	243.137	YCPMVSIEAPJIFC-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-013833
C1CN(CCC2=C1N=C(O2)N)CC3=CC=CC=C3	PC-id_160562905	243.137	UVXGNNOWQGTGBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013834
Brc1n(c2CCCCNc2c1C)C	PC-id_83488074	243.143	GFJLIQUOYRXBKG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013835
Brc1n(c2CCCN(Cc2c1)C)C	PC-id_83488070	243.143	YAQFOAOKCVHEBH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013836
Brc1n(c2c(C(CNCC2)C)c1)C	PC-id_83488073	243.144	ZOCFJERLSWPWHF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013837
Brc1[nH]c2c(C(CN(CC2)C)C)c1	PC-id_82386635	243.144	JSYMHDCUYDUWOE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013838
CC1(CCCCC(C2=C(C1)N=NN2C)(F)F)C	PC-id_155181527	243.155	SZTYZCAVXVUEHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013839
CC(C)CN1C2=C(C(CCCCC2)(F)F)N=N1	PC-id_153311838	243.155	GSXWKYNWBHMVGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013840
CCOC(=O)c1ccc2-c(cc1)cc(c2)C(=O)[O-]	PC-id_101434282	243.235	QAMSDVVCYRKBMH-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-013841
O(C(=O)c1c2-c(c(c1C)C(=O)[O-])ccccc2)C	PC-id_86005066	243.235	DKVVTQOIRWBSDB-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-013842
OC(=O)C(N1C(=O)CCCc2c1ccs2)F	EMOLS-id_315197192,PC-id_81297486	243.255	FCLOYBGFAFJAKL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013843
COC(=O)c1cc(c2-c1ccccc2)/C(=NO)/C	PC-id_101430787	243.258	DEFDWQAWCIUHPF-DHDCSXOGSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013844
O(C(=O)c1c2-c(cc1NC(=O)C)ccccc2)C	PC-id_85682872	243.258	GUNBOSRSNYKJFU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013845
O(C(=O)Cc1c(c2-c(c1)ccccc2)C(=O)N)C	PC-id_85645017	243.258	MTIZMDKQTPNOBE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013846
O1CCOCCOCc2nc([nH]n2)COCC1	PC-id_21792760	243.26	PNXVRXDFKQOAAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013847
C=C/C=C(/C1=NC(N)C(=O)Nc2c1cco2)C=C	PC-id_141827829	243.261	SCFNTMDGFVZZTG-VMPITWQZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013848
O=C1NCC(C1)Cn1c(=O)nc2-c1ccccc2	MCULE-3874357247,EMOLS-id_319967663	243.261	RWNINHBLSJWSCU-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-013849
O(C(=O)/C=C/N=c
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O(C(=O)C=C/N=c
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C1C(NC(=O)Cn2c1nnn2)Cc1ccccc1	PC-id_91443787	243.265	NXRPVOXUEGLVAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013852
O=C1NCCCc2n(Nc3ccccc3)nnc12	PC-id_12453476	243.265	HWAGEZJDMOUXBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013853
S1(=O)(=O)CCc2[nH]c(cc2CC1)CC(=O)O	PC-id_84801986	243.28	IGESDKGAKVVHBU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013854
CCc1nn(c2c1NC(=O)CCS2(=O)=O)C	PC-id_105357069	243.283	QXDCRPUFWYWCJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013855
CCn1nc(c2c1S(=O)(=O)CCC(=O)N2)C	PC-id_105357092	243.283	SGTADRKKKFGCBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013856
O=C1Nc2c(C)nn(c2S(=O)(=O)CC1C)C	PC-id_105357232	243.283	JXYRODSQYLRKTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013857
S1(=O)(=O)CCCCn2c1nc(c2)C(=O)CN	PC-id_82664474	243.283	BMTLHJPGERNAJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013858
O[C@@H]1C[NH+]=CNc2c1ncn2Cc1ccccc1	GD-id_ZINC05607088	243.284	ZHXZKSYUECAEFG-LLVKDONJSA-O	00000000100000110111000000000010000000000000000000000000	31-01-013859
S1(=O)(=O)CCCCn2nc(nc12)CC(=N)N	PC-id_83676862	243.286	UOUCWPROBWRRJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013860
CCC1CCc2n(CC)nnc2C(CC1)(F)F	SCHEMBL18653326	243.296	KPDROHKASSHMQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013861
CCC1CCc2nnn(c2C(CC1)(F)F)CC	SCHEMBL18665015	243.296	FHQJIHZOWCQXBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013862
CCCc1cn2CCCNC(CC(F)F)c2n1	MCULE-5019296683,EMOLS-id_208139751	243.296	RLKZYSNEKGZKIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013863
CCCn1nnc2c1CCC(C)CCC2(F)F	PC-id_142361960	243.296	ABDYDAYDHQGJHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013864
Cc1n(Cc2ccccc2)cc2c1OCCCO2	PC-id_143584906	243.301	XRXALPMUDSFFEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013865
CCCCc1ccc2-c1cc(ccc2)C(=O)NO	PC-id_141580627	243.301	RPIIGEPMOIGDSF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013866
CCOCCNC(=O)c1ccc2-c1ccccc2	SCHEMBL17398959,PC-id_118629068	243.301	ZJAVDYAEGIBVLC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013867
Nc1ccc2-c(cc1)cc(c2)C(=O)OC(C)(C)C	PC-id_102001513	243.301	XWTCPHQBSOHEPJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013868
O(C(=O)c1c2-c(c(CCCN)c1)ccccc2)C	PC-id_10444460	243.301	FLVVDRPBYVYRRF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013869
ON(c1cc2-c(ccc2CC(C)C)ccc1)C=O	PC-id_57142215	243.301	QWIWRAAKVUHINN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013870
ON(c1cc2-c(ccc2CCCC)ccc1)C=O	PC-id_57229883	243.301	VGSQXOWKDNRIOB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013871
ONC(=O)c1cccc2-c(c1)c(cc2)CC(C)C	PC-id_141580572	243.301	FCAARCZJMKRYAU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013872
[O-][N+](=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_15315862	243.301	VAPHXIPZGMSCMU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013873
c12CN(CCCn1cnc2)CC=Cc1ccco1	MCULE-7206034736,PC-id_72075197	243.304	IOEWUZJKPQGIGQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-013874
c1ccc(CCc2nnc3n2CCOCC3)cc1	ZINC22_594639185,MCULE-7966989831,EMOLS-id_337641684	243.304	FUFIQSPVVKJHSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013875
c1ccc(COc2n[nH]c3c2CCNCC3)cc1	BindingDB_PC-id_45484742,PC-id_45484742,CHEMBL577903	243.304	CYLKRPQMFCYULW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013876
c1ccc(OCc2nnc3n2CCCCC3)cc1	EMOLS-id_4342513,ZINC22_4518196,MCULE-6920772987,ChEMBL-DNDi_CHEMBL1376465,CHEMBL1376465,PC-id_3720205,CoCoCo_6271288	243.304	XECMHUREYFJTSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013877
c1(C(O)c2ccccc2)nnc2CCCCCn12	EMOLS-id_324804614,MCULE-4642285850	243.304	ANXQWSCLOGKBHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013878
C1NCc2n(CC1)nc(c2)OCc1ccccc1	SCHEMBL16309555,PC-id_117751951	243.304	PKEVNCWIKWZPSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013879
C(=Cc1ccco1)/CN1CCCn2cncc2C1	PC-id_56906167,EMOLS-id_44856572,ZINC22_72153224	243.304	IOEWUZJKPQGIGQ-DAFODLJHSA-N	00000000101000000101000000000010000000000000000000000000	31-01-013880
Cn1ccc(n1)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_315763348,PC-id_83206395	243.304	SRILRYLWFLRQOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013881
Cn1ncc(c1)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_315761043,PC-id_83206142	243.304	KJPJYTNMFJFZRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013882
CNC(=O)C(Cc1cnc2-c1ccccc2)NC	PC-id_59475585,SCHEMBL13139743	243.304	OSUHBRUIDRWOBH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013883
N1CCC(CC1)OCC1=Cn2ccnc2C=C=C1	PC-id_144440726	243.304	VKHFJQRURDXYGD-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-013884
o1nc2CCN(CCc2c1N)Cc1ccccc1	PC-id_83870732	243.304	FMGROPQXXHKHAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013885
OC1c2c(CCCC1)cn(c2)Cc1ncccn1	PC-id_83208256	243.304	UUGUKHDAMINGBH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-013886
O=C1c2c(CCCC1)cn(c2)Cc1n(ccn1)C	PC-id_83207377,EMOLS-id_315763349	243.304	IUUHZRJZDPYZEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013887
O=C1c2c(CCCC1)cn(c2)Cc1n(cnc1)C	EMOLS-id_315761557,PC-id_83206687	243.304	WZOSXJFUAJFEHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013888
O=C1c2c(CCCC1)cn(c2)CCn1ccnc1	EMOLS-id_314747802,PC-id_83206269	243.304	KBFUQZXBVUZKJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013889
O=C1c2c(CCCC1)cn(c2)CCn1nccc1	EMOLS-id_315762581,PC-id_83207016	243.304	RXUPJGBLKXRUSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013890
O=c1c2c([nH]n1Cc1ccccc1)CCNCC2	CHEMBL577693,BindingDB_PC-id_45484708,PC-id_45484708	243.304	HPTRPGKTBJNXBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013891
OC1CCCNc2n(Cc3ccccc3)cnc12	PC-id_85764856	243.304	WVKABZGYWJHCAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013892
O=c1[nH]n(Cc2ccccc2)c2c1CCNCC2	BindingDB_PC-id_45484701,PC-id_45484701,CHEMBL568693	243.304	AQEVTTPQORHLEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013893
CSc1nc2c(s1)C(=O)N(CC(=O)N2)C	PC-id_142739082	243.306	BBYTVTPKPWRUHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013894
c1ccc(NCc2cnc3n2CCNCC3)nc1	PC-id_121229683,ZINC22_101142534,EMOLS-id_50370328	243.308	NQPUVIMZYVMANE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-013895
c1(nnc2CCCCCn12)/C(=C/1CCCN1)/C#N	MCULE-8225455916,EMOLS-id_25981087,PC-id_135413881	243.308	PLALTEPOKYWEEH-ZHACJKMWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-013896
c1(nnc2CCCCCn12)C(=C1CCCN1)C#N	PC-id_136245700,MCULE-9773757482	243.308	PLALTEPOKYWEEH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-013897
Cn1ncc2c1CCCN(C2)Cc1nccnc1	EMOLS-id_318805883	243.308	SRZPXBBGILIKCX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-013898
N12CCCCCC1=NNC2=C(C1=NCCC1)C#N	PC-id_28460724	243.308	BXSISGFJGDAQAV-UHFFFAOYSA-N	00000011000000000111000000000010000000000000000000000000	31-01-013899
N12CCCCCC1=NN/C/2=C(/C1=NCCC1)C#N	PC-id_6324300	243.308	BXSISGFJGDAQAV-RAXLEYEMSA-N	00000011000000000111000000000010000000000000000000000000	31-01-013900
n12CCCCCc1nnc2C(C1=NCCC1)C#N	PC-id_78470559	243.308	QSRQVHYQLICXCT-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-013901
n12CCCCCc1nnc2[C@H](C1=NCCC1)C#N	PC-id_7306133	243.308	QSRQVHYQLICXCT-JTQLQIEISA-N	00000011100000000101000000000010000000000000000000000000	31-01-013902
c1ccc(cc1)/C=C/[CH+]c1ccc2-c1ccccc2	PC-id_101377979	243.322	LGWIBJISHXRMCN-JXMROGBWSA-N	00000010100000110110000000000010000000000000000000000000	31-01-013903
s1c(CN(C)C)c2OCCOCCOc2c1	PC-id_10857695	243.323	FJGKMRSANOHIAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013904
Cc1nn(c2c1CN(CCC2)S(=O)(=O)C)C	SCHEMBL17232790,PC-id_118491753	243.326	LNXVCKBEQKMLRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013905
CC(c1nn2c(c1)CCN(S(=O)(=O)C2)C)C	PC-id_140921489	243.326	UIKBLNZXAOHQQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013906
CCc1nn(c2c1NCC(CS2(=O)=O)C)C	PC-id_105357389	243.326	JLEGUOCQWIWCQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013907
CCCc1nn(c2c1NCCCS2(=O)=O)C	PC-id_105357343	243.326	QOTVWLRWGZQHDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013908
CCC(c1nnc2n1CCS(=O)(=O)CC2)C	PC-id_136557096,MCULE-6281775516,EMOLS-id_316951371	243.326	ANWLHOCVMRNWHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013909
CCCCc1nnc2n1CCS(=O)(=O)CC2	EMOLS-id_316950859,PC-id_136557094,MCULE-8131538036,ZINC22_1616040519	243.326	DLMNYYBGCWJWMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013910
CC(C)Cc1nnc2n1CCS(=O)(=O)CC2	ZINC22_630950301,PC-id_136557087,EMOLS-id_316948555,MCULE-3859478257	243.326	ALYCSTNKDNRCHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013911
CC[C@@H](C)c1nnc2n1CCS(=O)(=O)CC2	ZINC22_630950311	243.326	ANWLHOCVMRNWHV-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013912
CC[C@H](C)c1nnc2n1CCS(=O)(=O)CC2	ZINC22_630950312	243.326	ANWLHOCVMRNWHV-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013913
CCn1nc(c2c1S(=O)(=O)CC(CN2)C)C	PC-id_105357402	243.326	XFKZGMJKYDLFGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013914
CCS(=O)(=O)N1CCCc2c(C1)c(C)[nH]n2	PC-id_118882451,SCHEMBL17518078	243.326	RCXYGQXPZVQPNB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013915
CS(=O)(=O)NCc1n[nH]c2c1CCCCC2	EMOLS-id_222788903,MCULE-8073671906,ZINC22_670469955	243.326	CGNJALFXWKQFEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013916
S1(=O)(=O)CCCCn2nc(cc12)CCNC	PC-id_82664517	243.326	DZVJXPRVAXXBQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013917
S1(=O)(=O)CCCCn2nc(cc12)CC(N)C	PC-id_82664518	243.326	JPNJIOPZGVNQBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013918
S(c1n2CCCCCc2nn1)CC(O)CO	PC-id_78912005	243.326	DBZNOYHUMBNLNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013919
CN(CCCOc1ccccc2-c1ccc2C)C	PC-id_71101654,SCHEMBL14216238	243.344	PNNAHXAZRUEOPZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013920
O=c1n(C(C(C)C)C(C)C)c2-c(c1)ccccc2	PC-id_14810429	243.344	JVUADHLCJOQCBH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013921
OC(=O)CSc1nc2c(s1)CCCCC2	PC-id_64306867,EMOLS-id_40428816	243.346	BFQIYQFKJBWMAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013922
n1(CC2(CC2)CC#N)cc2c(c1)CCCCC2N	PC-id_83208963	243.347	ZILIWFDRGUCYDR-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-013923
CCC1=C(C(=c2ccsc2=CC1)C#N)C(C)C	PC-id_91225307	243.367	XYQSQBFVCXUUHH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013924
CC/C=Cc1c(C=N)sc2c1C=CC(C=C2)C	SCHEMBL20041429,PC-id_134409488	243.367	PWRHKTDCEIJBRE-XPOPEFDLSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013925
s1c2CCN(CCc2cc1)Cc1ccccc1	PC-id_13072071	243.367	LVNZREQLJPCRFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-013926
CCCC(c1cc2c([nH]1)C=CC(C=C2)(C)C)(C)C	PC-id_142036074	243.387	UGUFOEAGPFQBPE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013927
CSC1NCCOc2c1sc(c2CC)C	PC-id_139776097	243.389	HLOAHUMZWFZIJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013928
CSCCn1c2c(sc1=O)CCCCC2	PC-id_91648311,MCULE-6708299850,EMOLS-id_50348737,ZINC22_170595990	243.389	HSANWOBDRIAEDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013929
S(c1n2CCCCCc2nn1)CCCS	PC-id_80041073,EMOLS-id_313644018	243.392	SDAAEUKUTHCDAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013930
CSc1csc2c1C(=NCCC2)SC	PC-id_139776078	243.412	BFBAXKGLFDTIBS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013931
s1c2CCCN=C(SC)c2cc1SC	PC-id_85717669	243.412	GATAMALQBVXZNZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013932
s1c(cc2c1SCCN=C2SC)CC	PC-id_85717687	243.412	CWKRRRCRMBRYAM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013933
S1SSc2c(SS1)csn2	SCHEMBL10492110,PC-id_20324515	243.437	GGOAMRLMHPTIIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013934
Clc1n2CCCCCc2nc1C(N)C(=O)O	PC-id_84059572	243.69	BWLZLGZUQCQLSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013935
COC(=O)C1CCc2nnc(CCl)n2CC1	EMOLS-id_277308838,MCULE-7157111043	243.69	INOLAFZUIMHCFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013936
ClCC(=O)c1cc2c(s1)C(=O)NCCC2	SCHEMBL8915748,PC-id_21472076	243.71	OBUQLXLWVQKIOF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013937
ClC(=O)c1c2NC(=O)CCCCc2sc1	PC-id_71398664	243.71	QZJUKDRHZYKGTJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013938
CON1CCC(=C(c2c1ccs2)Cl)C=O	SCHEMBL19454612	243.71	TYVHAJFZJHNTGN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013939
Clc1n2CCCCCc2nc1C(N)CCO	PC-id_84059631	243.733	RDWGTCJLOPYPSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013940
Clc1n2CCCCCc2nc1C(O)CCN	PC-id_84059632	243.733	YDEWJMHGQUNHLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013941
Clc1n2CCCCCc2nc1C(O)CNC	PC-id_84059630	243.733	JQTPYPSGMFTKEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013942
ClCCCN1C(=O)CCCc2c1ccs2	EMOLS-id_263221644	243.753	ZAHPJJJWWORRNC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013943
ClC(=C)CSc1n2CCCCCc2nn1	PC-id_47096083	243.756	CWOVGVJCBFQTQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013944
ClC=CCSc1n2CCCCCc2nn1	PC-id_72092343,EMOLS-id_36619417,MCULE-9442826153	243.756	DBWKGNNLQGYSIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013945
Cl/C=C/CSc1nnc2n1CCCCC2	PC-id_47096087,ZINC22_47821908	243.756	DBWKGNNLQGYSIS-GQCTYLIASA-N	00000000100000000101000000000010000000000000000000000000	31-01-013946
Cl/C=CCSc1nnc2n1CCCCC2	PC-id_97534473	243.756	DBWKGNNLQGYSIS-XQRVVYSFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013947
Clc1c2CCNCCc2sc1C(C)(C)C	PC-id_59302571,SCHEMBL2989319	243.796	PBNPGNXAZNVGCP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013948
C1=C=C=CSC2=C1SC(=C2Cl)CS	PC-id_163656684	243.924	IQUXOMBTJYUHBB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-013949
C1C(=O)NC2=C(C=C(S2)Br)C=N1	PC-id_148240245	243.931	BSHMWGSSJNDXMU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013950
C1=CN2C=CI=C=CC2=N1	PC-id_146972869	243.95	AMTWRDKVEYZWJT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-013951
BN1CCc2c(CC1)cc(s2)Br	SCHEMBL13354868	243.96	XOIGORWNVLDYJV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013952
c1ccc(cc1)Cc1c2-c(ccccc2)c(c1)C=O	PC-id_134924364	246.303	PJVDOPNIXRSXBE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014382
Brc1oc2c(C(=O)CCNC2=O)c1	PC-id_83679524	244.042	PZELGBFSOOMQCI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013953
Brc1oc2c(C(=O)NCCC2=O)c1	PC-id_83679555	244.042	AZEKTOBYHGSXLB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013954
COC(=O)C1=C2CCCNS(=O)(=O)C2=CN1	PC-id_154021892	244.052	FYEHXRFTJURESC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013955
COc1cc2-c(c(cc1Cl)Cl)nc(n2)N	PC-id_101634976	244.077	KHAWCNUASHPRCZ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-013956
Brc1n(c2CCOCC(=O)c2c1)C	PC-id_83488103	244.085	LVRFNHJLVZWZRA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013957
Brc1oc2c(CCN(CC2=O)C)c1	PC-id_82386048	244.085	YBELGXDUNNDANO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013958
Brc1oc2CCC(=O)N(Cc2c1)C	PC-id_82386047	244.085	HWMDSOKBZABPGT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013959
Brc1oc2CCN(CC(=O)c2c1)C	PC-id_82386039	244.085	LSJKCCCMWFBNMO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013960
Brc1oc2CN(CCC(=O)c2c1)C	PC-id_82386040	244.085	FYYSJLFMVSYYBM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013961
Brc1oc(c2c1CCCNC2=O)C	PC-id_82622357	244.085	KUEXGJVTTGTZEE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013962
O=C1C(Br)CCn2c(N1C)ccn2	SCHEMBL18366154	244.088	NLSYVTUKQSSQHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013963
CN1CCc2cc(Br)nn2CC1=O	PC-id_135342709,EMOLS-id_330547108,SCHEMBL20517013	244.089	UHGOMTXTXNVDFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013964
CN1CCn2cc(Br)nc2CC1=O	PC-id_135343149,SCHEMBL20517491,EMOLS-id_337767466	244.089	LWBAHOPEHDASAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013965
CN1C(=O)CCCn2c1cc(n2)Br	SCHEMBL18366463	244.089	IVKBNWWRXMPFGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013966
C/C=C/1C(=C/C=C)NC(=O)CC2=C(N=NN21)C=O	PC-id_153378914	244.096	ZOTWCWVRLQQKFF-TVXUUACXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013967
C1CNCCC2=C1N=C(S2)CC3=CC=CC=C3	PC-id_154353641	244.103	WSKWFBSHBKZCKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013968
C1CN(CCC2=C1C(=O)ON2)CC3=CC=CC=C3	PC-id_165339619	244.121	MMWOHDKHJCPLPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-013969
Brc1n(c2c(C(COCC2)C)c1)C	PC-id_83488106	244.128	UVNZYLBSULEDHX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013970
Brc1oc2c(C(CN(CC2)C)C)c1	PC-id_82386015	244.128	DJFDPPAJDBXLAS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013971
Brc1oc2C(CN(CCc2c1)C)C	PC-id_82386019	244.128	HLEUDFREDYYXBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-013972
BrCc1noc2c1CCCCCC2	EMOLS-id_96698653,PC-id_80463399	244.128	DCSWUZPMGKOAOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013973
Brc1c2n(nc1CC)CCCNC2	PC-id_83899831	244.132	OTEMSGWAIOWQNY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013974
Brc1c2n(nc1CC)CCNCC2	PC-id_83899830	244.132	QQCYUDJQWDEZOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013975
BrCn1nnc2c1CCCCCC2	PC-id_101504286	244.132	RCVZMVWAZGVGRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013976
CC(C)C1=NN2CC(=C)N(CCC2=C1)C(C)C#N	PC-id_160669088	244.169	CGFYGUGWPQPGBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013977
O=C(O)c1sc(C(=O)O)c2c1OCCCO2	ZINC22_34483854,MCULE-5424994041,PC-id_10800308	244.221	MCLQXEPXGNPDHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013978
O=S(C(F)(F)F)c1ccc2-c1ccccc2	PC-id_101478158	244.233	ZQUMMLGGPJSVGH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013979
c1(C(F)F)c2CCCCCc2n(CC(=O)O)n1	EMOLS-id_317498059,MCULE-1073271769	244.238	BPTMSKYUKWQOHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013980
OC(=O)c1c(nn2CCCCCCc12)C(F)F	EMOLS-id_337771813	244.238	NMGFZHNHMIJUGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-013981
CCOC(=O)c1c2-c(c(c1O)C=O)ccccc2	PC-id_101915784	244.243	MZVIAOYUEVWROG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013982
CCOC(=O)c1cc(c2-c1ccccc2)C(=O)O	PC-id_142671278	244.243	UXPBYORMKMMRHB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013983
CCOC(=O)c1ccc2-c(cc(c2)C(=O)O)cc1	PC-id_90906304	244.243	QAMSDVVCYRKBMH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013984
CC(=O)Oc1ccc2-c(cc(c2)OC(=O)C)cc1	PC-id_92012804	244.243	RKTIXKGKYKQDJA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013985
O(c1c2-c(cc1)cccc(OC(=O)C)c2)C(=O)C	PC-id_13303233	244.243	CXLKOKZBRPXVLR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013986
O(c1c2-c(cc1)ccc(OC(=O)C)cc2)C(=O)C	PC-id_13301472	244.243	SIMBBDXIGIAQLE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013987
O(c1c2-c(cc1)cc(OC(=O)C)ccc2)C(=O)C	PC-id_13303234	244.243	WEAVOUOLZNMGER-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013988
O(c1c2-c(cc1)c(OC(=O)C)cccc2)C(=O)C	PC-id_13301471	244.243	OCYYRXGTHRPNAM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013989
Oc1c(c2-c(c1C(=O)OC)ccccc2)C(=O)C	PC-id_12683672	244.243	SUVLXLSFTXRTIP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013990
O(C(=O)c1c2-c(c(c1C)C(=O)O)ccccc2)C	PC-id_12683673	244.243	DKVVTQOIRWBSDB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013991
O(C(=O)c1c2-c(cc1C(=O)OC)ccccc2)C	PC-id_12500912	244.243	LDARGPDMZHRTOI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013992
O(C(=O)c1c2-c(c(c1)C(=O)OC)ccccc2)C	PC-id_86221382	244.243	ZRTLPNKYGWBUAF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013993
O(C(=O)c1c2-c(ccc2)cccc1C(=O)OC)C	PC-id_13113194	244.243	KJHQTCNXUQVCIA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013994
O(C(=O)c1c2-c(ccc2)ccc(c1)C(=O)OC)C	PC-id_15356216	244.243	XCLGZKJZROEFDK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013995
O(C(=O)c1cc2-c(cc(c1)C(=O)OC)ccc2)C	PC-id_13971561	244.243	OTYSXHGABNQBIR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013996
O(C(=O)c1cc2-c(ccc1C(=O)OC)ccc2)C	PC-id_15356215	244.243	IOXXLCYZLXYTMN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013997
OC(=O)Cc1c2-c(c(c1)CC(=O)O)ccccc2	PC-id_12079887	244.243	ZTUHEYWXPIZOCW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013998
O=C(OC)c1ccccc2-c1ccc2C(=O)OC	PC-id_14262772,CNP0373242,UNPD114594	244.243	SJKWHMYKQXMFMI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-013999
s1(=O)oc(=O)c2c1c(=S=O)cccc2O	PC-id_86248311	244.244	VOFJECJNWJSYKV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-014000
O(C(=O)c1c2-c(c(c1N)C(=O)N)ccccc2)C	PC-id_51051572	244.246	ZNZVKNSMPMDTPW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014001
ONC(=O)CNC(=O)c1ccc2-c1ccccc2	PC-id_141289556	244.246	GEGPFABVZDMKPP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014002
CC(=O)Nc1nc2cccc(=NC(=O)C)cc2[nH]1	PC-id_137143128	244.249	QPLZLQGIARWUPX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014003
CC(=O)Nc1nc2c([nH]1)ccccc2=NC(=O)C	PC-id_135401574	244.249	MHBHSCFQUOWNFS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014004
O=C(Nc1c2-c(nc(n2)NC(=O)C)cccc1)C	PC-id_10037456	244.249	AKZMZOOZAMIXPF-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-014005
CC1Cc2ncc(n2C=C(C1C)C)C(F)(F)F	PC-id_91009614	244.256	XTJRANCLDCBPEW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014006
S1(=O)(=O)CCc2c(oc(c2)CC(=O)O)CC1	PC-id_84802587	244.264	QOEFZMUHQVQZER-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014007
S1(=O)(=O)CCCCn2c1nc(c2)CC(=O)O	PC-id_82664576	244.268	JOTMETGTDBFYRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014008
S1(=O)(=O)CCCCn2nc(cc12)CC(=O)O	PC-id_82664577	244.268	ZUJGFYPKHPNIDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014009
C=C1CC/C=C(/C)C(=O)c2c(C(=O)C1)c(C)co2	UNPD2813	244.286	KELZYRMOEAISJM-POHAHGRESA-N	00000000100000000110000000000010000000000000000000000000	31-01-014010
C=C1CC/C=C(C)/C(=O)c2occ(C)c2C(=O)C1	PC-id_102279302,CHEMBL516311	244.286	KELZYRMOEAISJM-UXBLZVDNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014011
CCCc1ccc2-c1cc(ccc2)OC(=O)OC	SCHEMBL8335505,PC-id_17776153	244.286	XZTFTNQJHCLJPG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014012
CCCOc1cc(ccc2-c1ccc2)CC(=O)O	SCHEMBL8332987,PC-id_67554086	244.286	FKFBALVLJXCZSF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014013
CCC(=O)c1c(=O)oc2-c1cc(ccc2)C(C)C	PC-id_139790790	244.286	VZFMQQYNWYLVHQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014014
O(c1c2-c(c(cc2)C(=O)OCC)cccc1)CC	PC-id_14615780	244.286	BFXSZFZGJNGQQK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014015
O=C1c2occ(c2C(=O)CC(=C)CC/C=C
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O(c1c(c2-c(c1)ccccc2)C(=O)OCC)CC	PC-id_15271829	244.286	GKCKPAIBHSSYIA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014017
Oc1c(c2-c(c1)cccc(C(C)C)c2)C(=O)OC	PC-id_10354464	244.286	YPTXYDRCQRAMFW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014018
O(c1c(c(OC(=O)C)c2-c1ccccc2)CC)C	PC-id_10681733	244.286	HLTPQNWWFCISEY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014019
O=Cc1ccc2-c1cc(ccc2C)[C@](CO)(O)C	UNPD40218	244.286	RZWPHZPNMHFTTR-HNNXBMFYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014020
O=Cc1ccc2-c1cc(ccc2C)C(O)(C)CO	PC-id_102251630,CNP0108036	244.286	RZWPHZPNMHFTTR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014021
OC(c1ccc2-c(cc1)ccc2C(=O)OC)(C)C	PC-id_24976120	244.286	BOOIDJVFNOHPIX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014022
OCCCc1c2-c(c(c1)C(=O)OC)ccccc2	PC-id_11776577	244.286	SEMGMCXTINDKMU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014023
O(C(=O)c1c2-c(c(c1)CC)ccccc2)CCO	PC-id_10037466	244.286	ZBKACFBLVXFTKD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014024
Oc1ccc(cc1)C#Cc1cc2-c(c1)ccccc2	PC-id_86099731	244.287	GUMFGBZSKDXIKE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014025
Oc1ccc(cc1)C#Cc1ccc2-c(ccc2)cc1	PC-id_86099738	244.287	YHIFDRFRUIDODZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014026
C1CCc2c(CN1)oc(n2)COc1ccccc1	SCHEMBL173436,PC-id_66613334	244.289	XUSFFYIYYYBWCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014027
Cc1noc(c1)Cn1cc2c(c1)CCCCC2=O	PC-id_83206027,EMOLS-id_315761812	244.289	DOWSIJKNCMJWOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014028
Cc1onc(c1)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_314931191,PC-id_83205865	244.289	UZJMSRFXGPFBFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014029
C#CCNC(=O)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_314915251,PC-id_83209004	244.289	LHMSSWPZJKXAOV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014030
N1CCc2c(CC1)onc2OCc1ccccc1	PC-id_71562661,BindingDB_PC-id_71562661	244.289	AOJGVZWGPGBNHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014031
N#CC1(CCC1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_102662257	244.289	SPFAUBNMIVGFCF-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-014032
o1n(c(=O)c2c1CCCNC2)Cc1ccccc1	BindingDB_PC-id_71562667,PC-id_71562667	244.289	HELJFKWOTDEVFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014033
o1n(c(=O)c2CCNCCc12)Cc1ccccc1	BindingDB_PC-id_14515725,PC-id_14515725,SCHEMBL10436754	244.289	BWAFYEDXZXBSIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014034
O=c1nc2-c(n1CC1CCOCC1)ccccc2	MCULE-9409202507,EMOLS-id_320266389	244.289	CLIWQIXQXZMCRO-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-014035
O=c1nc2-c(n1CCC1CCOC1)ccccc2	EMOLS-id_320232066,MCULE-8062587935	244.289	PHHWKDHAYLXBOQ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-014036
O=c1nc2-c(n1CCC1(O)CCC1)ccccc2	EMOLS-id_319804589	244.289	QPUDVZQYLUDDIS-UHFFFAOYSA-N	00001010100000000111000000000010000000000000000000000000	31-01-014037
O=c1nc2-c(n1CCOCC1CC1)ccccc2	EMOLS-id_320064153,MCULE-6202711991	244.289	FXBCIZOCVHICFU-UHFFFAOYSA-N	00100010100000000111000000000010000000000000000000000000	31-01-014038
O(C(=O)c1c2-c(nc1NCC)ccccc2)CC	PC-id_15014747	244.289	YBMXJOLBBKPOOI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014039
n1c2-c(c(c1N)C#Cc1ccccc1)ccccc2	PC-id_86216995	244.291	VJZJMPHQZNJBPU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014040
c1ccc(cc1)COC1CCn2c(CC1)nnn2	SCHEMBL16241433,PC-id_117700706	244.292	NKDIEVBTBMXXIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014041
c1ccc(OC[C@@H]2CNCc3cncn3C2)nc1	PC-id_97476047,ZINC22_96207920	244.292	WQOULANHPLLWGG-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-014042
c1ccc(OC[C@H]2CNCc3cncn3C2)nc1	ZINC22_96207921,PC-id_97476048	244.292	WQOULANHPLLWGG-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-014043
c1cncc(OCc2ncn3c2CNCCC3)c1	EMOLS-id_50370781,ZINC22_306127014	244.292	FLMAHLKWZOZSEY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-014044
c1cncc(OC[C@@H]2CNCc3cncn3C2)c1	ZINC22_306124465	244.292	BQNIHKBWZGVAEJ-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-014045
c1cncc(OC[C@H]2CNCc3cncn3C2)c1	ZINC22_306124466	244.292	BQNIHKBWZGVAEJ-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-014046
c1(C(O)c2ccccc2)nnc2CCNCCn12	MCULE-1451858330,EMOLS-id_337790064	244.292	OXAIZLMLWXYZIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014047
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c[nH]cc1	EMOLS-id_319580576	244.292	BQTXMZWFRIVHGK-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-014048
C[C@@H]1C[C@]1(C#N)C(=O)N1CCCc2n[nH]cc2C1	ZINC22_952892540	244.292	OKTZWYKMODVIDX-NOZJJQNGSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014049
C[C@@H]1C[C@@]1(C#N)C(=O)N1CCCc2n[nH]cc2C1	ZINC22_952892549	244.292	OKTZWYKMODVIDX-RNCFNFMXSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014050
C[C@H]1C[C@]1(C#N)C(=O)N1CCCc2n[nH]cc2C1	ZINC22_952892550	244.292	OKTZWYKMODVIDX-TVQRCGJNSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014051
C[C@H]1C[C@@]1(C#N)C(=O)N1CCCc2n[nH]cc2C1	ZINC22_952892551	244.292	OKTZWYKMODVIDX-ZANVPECISA-N	00100000100000000101000000000010000000000000000000000000	31-01-014052
Cn1nnc(c1)Cn1cc2c(c1)CCCCC2=O	PC-id_107045412	244.292	YWOFEYLBACIPAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014053
C(Oc1ccccn1)C1CNCc2cncn2C1	EMOLS-id_49230877	244.292	WQOULANHPLLWGG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-014054
C(Oc1cccnc1)C1CNCc2cncn2C1	EMOLS-id_50370254	244.292	BQNIHKBWZGVAEJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-014055
n12CCNCCc1nnc2Cc1ccc(cc1)O	EMOLS-id_337826059,MCULE-8999577689,ZINC22_2356139985	244.292	OXMVBQFWGUCYSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014056
N#CC1(CC1C)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_316185943,MCULE-6884451990	244.292	OKTZWYKMODVIDX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014057
N#CC1(CC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-2646187562,EMOLS-id_320245629	244.292	SGSUGEFNHJXWMN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014058
N#CC(c1nnc2n1CCCCC2)C(=O)C1CC1	MCULE-9615236761,PC-id_71902203,EMOLS-id_44516503	244.292	MDEUXFDDIUZEFW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014059
N#C[C@@H](C(=O)C1CC1)c1nnc2n1CCCCC2	PC-id_94870560,ZINC22_60851544	244.292	MDEUXFDDIUZEFW-JTQLQIEISA-N	00100000100000000101000000000010000000000000000000000000	31-01-014060
N#C[C@H](C(=O)C1CC1)c1nnc2n1CCCCC2	PC-id_95901245,ZINC22_72678771	244.292	MDEUXFDDIUZEFW-SNVBAGLBSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014061
O=C1c2c(CCCC1)cn(c2)Cc1n(cnn1)C	PC-id_83207494,EMOLS-id_315142483	244.292	ZQYBOLYZLDNEIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014062
O=C1c2c(CCCC1)cn(c2)Cc1n(ncn1)C	EMOLS-id_315762323,PC-id_83207583	244.292	PWSGMXKASPHYQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014063
O[C@H](c1ccccc1)c1nnc2n1CCNCC2	ZINC22_2356163004	244.292	OXAIZLMLWXYZIT-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014064
O[C@@H](c1ccccc1)c1nnc2n1CCNCC2	ZINC22_2356163005	244.292	OXAIZLMLWXYZIT-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014065
c1cncc(NCc2nnn3c2CNCCC3)c1	ZINC22_306143979,EMOLS-id_50370849	244.296	YSNAVYKLHBQSSK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-014066
c1cnc(NCc2ncn3c2CNCCC3)nc1	ZINC22_306127538,EMOLS-id_44370500	244.296	GBGJJEXAIAJCIN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-014067
c1ncnc(NCc2n[nH]c3c2CCCCC3)n1	PC-id_91767380,ZINC22_219029560,EMOLS-id_55623566,MCULE-5634080956	244.296	ACWXOUOMHVGZLH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-014068
Cc1cc2c(o1)CCC(CC2)OS(=O)(=O)C	PC-id_135014134	244.307	VLNOBKVRLNZQCE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014069
COCC1(COC)COc2c(OC1)csc2	SCHEMBL12144201,PC-id_70673029	244.307	DEMVAOXUPQYKRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014070
COCCOCC1COc2c(OC1)csc2	PC-id_71286998,SCHEMBL14748825	244.307	HBLYQPDXBLZNKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014071
Fc1ccccc1Cc1n[nH]c2CCCCCc12	EMOLS-id_337935636	244.307	ZDDGJTQKUBFNNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014072
Fc1cccc(c1)C[C@H]1CCCCc2c1[nH]nc2	PC-id_141220689	244.307	QCBHWQSDZQVNIQ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014073
Fc1ccc(Cc2n[nH]c3CCCCCc23)cc1	EMOLS-id_337936149	244.307	CZNKXKFPYKABJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014074
Fc1cccc(Cc2n[nH]c3CCCCCc23)c1	EMOLS-id_337933845	244.307	BJLVCQIEFVITPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014075
OCC1(CO)COc2c(OC1)c(sc2C)C	SCHEMBL13104075,PC-id_59512634	244.307	KYIFGUNLLFJIMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014076
OCCC1(CCO)COc2c(OC1)csc2	SCHEMBL2019930,PC-id_67250259	244.307	NSWFHOMBVGHUQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014077
CCNS(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_102296325	244.311	JFRPZXRTEUBFIQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014078
CCS(=O)CC1CCCCc2n1c(=O)on2	SCHEMBL6802475,PC-id_23500545	244.311	COBSZZQJBJDKAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014079
CN(S(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_102569773	244.311	WETORYKTMRZXGS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014080
S1(=O)(=O)CCCCn2c1nc(c2)CC(O)C	PC-id_83675663	244.311	WECABCIOXWGNIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014081
S1(=O)(=O)CCCCn2nc(cc12)CC(O)C	PC-id_83675660	244.311	BNPJVTZQFLUXHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014082
Cc1cc2c(s1)N/C(=C/C=CC#C)/CNC2=O	PC-id_142859853	244.312	UYJILHIOUOYASW-VWJYOPCBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014083
N#CC(C(=O)c1cc2c(s1)CCCCC2)C#N	PC-id_79169023,EMOLS-id_42071742	244.312	GQVPOZISVZQVGA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014084
Oc1nn(c2c1CC[NH2+]CC2)Cc1ccccc1	GD-id_ZINC45261258	244.312	AQEVTTPQORHLEG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-014085
CNS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950893	244.314	WXBMYNUAUYGWND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014086
CS(=O)(=O)NCc1cnc2CCNCCn12	ZINC22_106693237,EMOLS-id_50370758,PC-id_121229753	244.314	XYJNQYXUMVHJMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014087
CS(=O)(=O)NCc1ncn2c1CNCCC2	EMOLS-id_50369437,ZINC22_306142437	244.314	WZHLSBSGBBWBLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014088
S1(=O)(=O)CCCCn2nc(nc12)CCNC	PC-id_82664671	244.314	AEFOXLWLDWTERQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014089
n12CCCCCc1nnc2C(C1=[NH+]CCC1)C#N	PC-id_78470558	244.316	QSRQVHYQLICXCT-UHFFFAOYSA-O	00000011100000000101000000000010000000000000000000000000	31-01-014090
n12CCCCCc1nnc2[C@H](C1=[NH+]CCC1)C#N	PC-id_7306132,GD-id_ZINC04626342	244.316	QSRQVHYQLICXCT-JTQLQIEISA-O	00000011100000000101000000000010000000000000000000000000	31-01-014091
CC1C=CC(CC(=CCc2c1occ2C)C)C=O	PC-id_89168175	244.329	LGQFTHCWRLNUFG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014092
CC(=C)[C@H]1[C@@H](O)C#CCCCCc2oc1cc2C	PC-id_101660177	244.329	OCDADJQDGCXARY-BBRMVZONSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014093
o1c2CCCCC#CCOC/C(=C/c1cc2C)/C	PC-id_10037476	244.329	NYSLODYBOVNPGK-JLHYYAGUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014094
o1c2CCCCC#CCOCC(=Cc1cc2C)C	PC-id_85100206	244.329	NYSLODYBOVNPGK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014095
o1c2C(C(O)C#CCCCCc1c(c2)C)C(=C)C	PC-id_85100205	244.329	OCDADJQDGCXARY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014096
o1c2[C@@H]([C@@H](O)C#CCCCCc1c(c2)C)C(=C)C	PC-id_10037475	244.329	OCDADJQDGCXARY-XJKSGUPXSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014097
o1c2[C@@H]([C@H](O)C#CCCCCc1c(c2)C)C(=C)C	PC-id_10354480	244.329	OCDADJQDGCXARY-CZUORRHYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014098
O(c1c2-c(cc(C(C)C)cc1)ccc2)CCOC	PC-id_56636994	244.329	HNMGAIPNHXUTPD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014099
O=CC1/C=C/C(C)c2occ(c2C/C=C(/C1)C)C	SCHEMBL13772706	244.329	LGQFTHCWRLNUFG-AORIPKDHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014100
O(CCc1c2-c(c(c1)CCOC)ccccc2)C	PC-id_86259375	244.329	CAQUBVJCKFMBLY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014101
CC(C1=Cc2oc(nc2C=C=N1)C(C)(C)C)(C)C	SCHEMBL20047472,PC-id_134415023	244.332	FRSOGNZGMUCTMA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014102
CCCCC(=O)Cc1c[nH]c2=CCC(=CC=c12)N	PC-id_145642997	244.332	BZDOKNIPMDOFON-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014103
N#CC(CCn1cc2c(c1)CCCCC2=O)(C)C	EMOLS-id_314995485,PC-id_83209112	244.332	FUCTUULDYQVUEU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014104
o1c(C(N)c2c3n(CCCCC3)c(c2)C)ccc1	PC-id_10562281	244.332	OJOULXUCDBJUDZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-014105
OC1c2c(cn(CC3(CC3)CC#N)c2)CCCC1	PC-id_83208658	244.332	MOCRGAAVIKELTN-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-014106
n1(cc2C(N)CCCCc2c1)Cc1cn(nc1)C	PC-id_83207749	244.335	QKCMQTSHYIYPFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014107
n1(cc2C(N)CCCCc2c1)Cc1n(ccn1)C	PC-id_83208787	244.335	PHLSMEPISCVJGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014108
n1(cc2C(N)CCCCc2c1)Cc1n(cnc1)C	PC-id_83208146	244.335	BZFKPIWZABLBIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014109
n1(cc2C(N)CCCCc2c1)Cc1nn(cc1)C	PC-id_83208706	244.335	KISFDGDTVRGALM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014110
n1(cc2C(N)CCCCc2c1)CCn1ccnc1	PC-id_83208873	244.335	SRRVMIBRTBMBTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014111
n1(cc2C(N)CCCCc2c1)CCn1nccc1	PC-id_83208937	244.335	PDPGUZCRZVYLJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014112
N#CC1=Cc2c(C)sc(c2C=C(S1)C#N)C	PC-id_44725210,SPECS-id_AT-225/JK24787	244.335	NMZLZIANFKIKSZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014113
N#CCC1(CC1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318809512	244.335	JJPWSOBOGOXHMA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014114
N(CCNc1nc2-c(n1)ccccc2)(CC)CC	PC-id_85672455	244.335	DPHKPVHFYYKCND-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-014115
CCC(C)c1cc2c(s1)C(CCCC2)(F)F	PC-id_91299207	244.344	YNTZBACXCCCLNB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014116
FC1(F)CCCCc2c1cc(s2)C(C)(C)C	SCHEMBL11987726,PC-id_57625087	244.344	BYGKVMQGWWEWHP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014117
FC1(F)CCCCc2c1sc(c2)C(C)(C)C	SCHEMBL11987738,PC-id_57625152	244.344	BACPPTUOHBVKTO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014118
Fc1ccc(cc2-c1c(cc2C)C(C)C)C(C)C	SCHEMBL18878419	244.347	VXLZNZHQIALUPU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014119
c1ccc(cc1)CC1CNc2c(CN1)ccs2	SCHEMBL6633595,PC-id_18422896	244.355	QGXWEYXPCBIQKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014120
c1ccc(cc1)CN1CCc2c(CC1)ncs2	PC-id_58117543,SCHEMBL549197	244.355	MKSXIWLQEZTQHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014121
c1ccc(cc1)CN1CCCNc2c1scc2	PC-id_102317849	244.355	XEKGBSXOVXOSGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014122
s1c2CCCCNc2nc1Cc1ccccc1	PC-id_28908493	244.355	NNORXNYKKWHQFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014123
CC1=C(C)c2c(C(=C(C1)C)C(C)C)oc(c2C)C	PC-id_117639859,SCHEMBL16160056	244.372	WEDZWKLPBKWYPD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014124
CCc1cc2c(o1)C(=C(CC=C2CC)C)C(C)C	SCHEMBL16160057,PC-id_117639860	244.372	SKEYGMUAKRGWLO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014125
CCC1=CCC(=C(c2c1cc(o2)CC)C)C(C)C	PC-id_144503159	244.372	GYSDSTXXHSUCAQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014126
Cc1n[nH]c2=CC=CCC(=c12)CCCCC(C)C	PC-id_91010072	244.375	GBHPDACDCJGHSR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014127
CCCCNC1=Cc2[nH]c(cc2CCC1C=C)C	PC-id_144089777	244.375	AKAAQGYYXJCFAE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014128
c12-c(c(ccc(c1)CC)C)c(cc2C)SCC	STOCK1N-19786,MCULE-5961259878,EMOLS-id_4790995,PC-id_1757292,CNP0128866,ZINC22_2101788	244.395	ZVYRHTCNNPCOGF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014129
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CSc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_118489036,SCHEMBL17229433	244.395	YHINHHCTSUGNRS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014132
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CC1Cn2c(c(nc2Cl)C(=O)OC)CCO1	SCHEMBL15969024,PC-id_90354788	244.675	IHFGRZPNJOVSNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014136
COC(=O)c1nc(n2c1CCO[C@@H](C2)C)Cl	SCHEMBL15969025	244.675	IHFGRZPNJOVSNU-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014137
OC(=O)c1c(Cl)sc2CCCCCCc12	EMOLS-id_259566350,MCULE-9919148822,PC-id_114748482	244.738	OHCRRRHQAMIKNQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014138
c1(NC(=O)CCl)sc2c(CCCCC2)n1	MCULE-7845085748,EMOLS-id_50077144,PC-id_66490681	244.741	OAIYTQLFVSTWFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014139
Clc1nc2c(s1)C(=O)N(CC(C2)(C)C)C	SCHEMBL2071153,PC-id_58168639	244.741	FTWINJDXJIKGML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014140
C1=C[I]=C=Cc2ncnn12	PC-id_163579229	244.945	GGCWFJYPOLKUAW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014141
C1C=C2C(=CC=I1)C=CN2	PC-id_163950920	244.97	RZFVXETVLMTGSG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014142
CN1C=C2C(=C1C(=O)N)OCCNS2(=O)=O	PC-id_153997611	245.047	LCSRKWOUJDDCCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014143
c12c(C(=O)NCCC1O)[nH]c(c2)Br	CNP0465384,CMNPD29445	245.073	RJBUUAPHWOFATA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014144
Cn1cc2c(n1)OCCC(C2=O)Br	SCHEMBL15277577,PC-id_89819491	245.073	HDRJVODQZBKDHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014145
CN1CCC(=O)Nc2c1oc(c2)Br	PC-id_96257712	245.073	OVWHAKULIXEIHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014146
CC1CNc2cc(nn2NC1=O)Br	PC-id_137287929,SCHEMBL20525212	245.077	UCSDOHLCGCXTEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014147
Brc1cc2c(s1)N=CNC(=O)C2	PC-id_142220548	245.096	NJJFGALNJISJKF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014148
C/C=CC=C
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FC1(F)CCc2n(C(C1(F)F)(F)F)cnn2	SCHEMBL18501354	245.125	KDEBLKMGDRMIDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014150
FC1(F)CCc2n(C(C1(F)F)(F)F)ncn2	PC-id_117709865,SCHEMBL16253580	245.125	GJASXQPMPGQVHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014151
FC1(F)CCC(C(c2n1cnn2)(F)F)(F)F	SCHEMBL18501355	245.125	WABHYLKNMQUMDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014152
FC1(F)CCC(C(c2n1ncn2)(F)F)(F)F	PC-id_117709836,SCHEMBL16253548	245.125	RFEYIBHOSFUSRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014153
FC1(F)CC(F)(F)C(Cc2n1cnn2)(F)F	SCHEMBL18501369	245.125	UAHPVGSPIGCEBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014154
FC1(F)CC(F)(F)C(Cc2n1ncn2)(F)F	PC-id_117709832,SCHEMBL16253544	245.125	UFVHSWSRPZEKQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014155
FC1(F)CCn2c(C(C1(F)F)(F)F)ncn2	SCHEMBL16253542,PC-id_117709830	245.125	SMFAKXRPKIODNY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014156
FC1(F)CCn2c(C(C1(F)F)(F)F)nnc2	SCHEMBL18501347	245.125	CGIXHWBCGKFGHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014157
FC1(F)Cn2cnnc2C(C(C1)(F)F)(F)F	SCHEMBL18501366	245.125	IVJZZQVLPYSYDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014158
FC1(F)Cn2ncnc2C(C(C1)(F)F)(F)F	SCHEMBL16253547,PC-id_117709835	245.125	IPRJZCZCPASFRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014159
C1CNCCC2=C1C(=[N+](O2)CC3=CC=CC=C3)O	PC-id_160775063	245.128	BWAFYEDXZXBSIK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-014160
BrC1CCCc2sccc2C1=O	PC-id_12344638	245.136	NZNHNBUYCOGCTE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014161
Brc1sc2c(c1)C(=O)CCCC2	SCHEMBL3138935,PC-id_68525908	245.136	ICCYCKXPHKRPEA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014162
CN=C(C1=C2CCNCCC2=NN1C)N=CC=C	PC-id_154685795	245.164	PMBJYKVLLNURGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014163
Brc1sc2CCCCCCc2c1	PC-id_71670764	245.179	YTZONUTXPBVRFO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014164
BrCc1c2CCCCCc2sc1	PC-id_71670732	245.179	LFVBBNBBUWPMFH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014165
BrCc1cc2c(s1)CCCCC2	PC-id_62727519,EMOLS-id_39326040	245.179	KACZNXSTUSKJAU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014166
CC1(O)CCCc2c(CC1)nn[se]2	PC-id_101481905	245.18	LOZYTXNENLWOTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014167
OC1CCCc2c(CCC1)nn[se]2	PC-id_101481906	245.18	ZBOBLDHFYRKHGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014168
OC1CCCCc2c(CC1)[se]nn2	PC-id_101481907	245.18	PWSRFQGISZTLDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014169
O=C1CN(N)C(=O)c2c(N1)[nH]c(=S)n2P	PC-id_142250138	245.199	ZSFDFYZPGUUZMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014170
O(C(=O)C1=C(n2c(=NN=N1)c(=C=[N-])nc2)C)CC	PC-id_21782895	245.217	OFXYNDNAULUMSD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014171
c1(C(F)F)c2CCC(CCn2nn1)C(=O)OC	MCULE-3141272611,EMOLS-id_106531384,PC-id_137703990	245.226	PSCUEXINDXWMRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014172
COC(=O)c1ccc2-c1ccccc2C[N+](=O)[O-]	PC-id_139611117	245.231	ZMIOCPSQFYHWSC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014173
O=c1n(c2-c(c1C(=O)C)ccccc2)CC(=O)O	PC-id_12852671,SCHEMBL11265517	245.231	OWRZWJTZQWNVJS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014174
o1c(CN2c3c([nH]cc3)C(=O)NCC2=O)ccc1	PC-id_11379578	245.234	PRTNUWHIMTTWCO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014175
N#CC(=C(c1c(O)cc2-c1ccccc2)C#N)C#N	PC-id_102381428	245.236	FGJSDNPJYIBENW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014176
FC(F)(F)CCn1cc2CCCCC(=O)c2c1	PC-id_83206153,EMOLS-id_315762836	245.241	OUROEQBTDROUFA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014177
CC1CN(CCOC(F)F)Cc2c(C1)[nH]nc2	EMOLS-id_319107584	245.269	IPZMTNUHGJNBPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014178
c12c(cccc(=O)c1c([nH]c2C)C)C(=O)OCC	CoCoCo_6281797,MCULE-6584124732,TIMTEC314752,PC-id_1503448,ZINC22_1422508,EMOLS-id_6803650	245.274	MOTGTQFBXGHRIH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014179
Cc1nc2c(o1)C(=O)C(C)/C=CC=C/C(C2=O)C	PC-id_142285104	245.274	HTGBHJBBVWTRBK-PEPZGXQESA-N	00000000100000000111000000000010000000000000000000000000	31-01-014180
CCCc1ccc2-c1cc(ccc2)OC(=O)NO	SCHEMBL8333169	245.274	KREBNWDZUURSCY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014181
CCOC(=O)Cn1cc(c2c1c(=O)cccc2)C	SCHEMBL11276410,PC-id_54425475	245.274	WDTUYMNJQBTFAU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014182
FC(C(=O)O)Sc1nnc2n1CCCCC2	PC-id_79356867,EMOLS-id_42216239	245.274	PGSUNGJGXLJWRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014183
o1c2c(CCCCC2)c(c1N)C(=O)c1occc1	PC-id_83448074	245.274	NFMOTCMHYVGZJV-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-014184
O1CCN(CC1)Cc1c2-c(oc1=O)ccccc2	PC-id_10105915	245.274	GPCWSLFUOWKVAS-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-014185
c12cnn(C)c1CCCN(C(=O)c1ccco1)C2	ART-15417162,ZINC22_72398447,EMOLS-id_43234761,PC-id_95857707,MCULE-6165305886	245.277	OMKJOGKVVZPGKT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014186
c12C(=O)NCCCc1[nH]c(Cc1ccc(C)o1)n2	PC-id_50952095,ZINC22_65375048,MCULE-5843659101,EMOLS-id_32375656	245.277	WGTPXRNPEFAGAR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014187
c12C(=O)NCCCc1[nH]c(CCc1ccco1)n2	MCULE-1003266357,ZINC22_65406888,PC-id_50965288,EMOLS-id_32400622	245.277	SCLMMZXAKIDNGG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014188
c1(C(O)c2ccccc2)nnc2CCOCCn12	MCULE-6713574199,EMOLS-id_337791540	245.277	JQPYVMHQBKHNCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014189
Cc1ccoc1C(=O)N1CCCn2cncc2C1	MCULE-9042110668,ZINC22_72159079,EMOLS-id_43154689,PC-id_56908355	245.277	XORJNDBGLRLTOW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014190
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cocc1	EMOLS-id_319371201	245.277	WRHYHLKMLATLGU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014191
Cc1coc(c1)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_317954963	245.277	LKJYWGHREGTIQN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014192
Cc1nnc(o1)Cn1cc2c(c1)CCCCC2=O	PC-id_83206145,EMOLS-id_315763603	245.277	BZWXYESEVKRSCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014193
Cc1noc(n1)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_315763347,PC-id_83206023	245.277	BAPYXDKCDDHAFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014194
Cc1onc(n1)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_315760789,PC-id_83206397	245.277	XYYIMZFCQJJUIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014195
CCCNC(=O)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_319824405	245.277	GYRNEVFGAAACRW-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-014196
CC=NCCNC(=O)c1cc2c(o1)C=NC=CC2	PC-id_145629105	245.277	OWYUGLQVOABGLP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014197
CC(NC(=O)Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_318840800	245.277	HLCIOXSYVDZVHW-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-014198
N#CCNC(=O)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_314747546,PC-id_83207009	245.277	ROTRQXLXGOZDNL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014199
O=C1c2c(CCCC1)cn(c2)Cc1nonc1C	EMOLS-id_314730438,PC-id_83209007	245.277	QVRGYFYQUJUNSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014200
O[C@H](c1ccccc1)c1nnc2n1CCOCC2	ZINC22_2356148640	245.277	JQPYVMHQBKHNCQ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014201
O[C@@H](c1ccccc1)c1nnc2n1CCOCC2	ZINC22_2356148641	245.277	JQPYVMHQBKHNCQ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014202
O=C(N1CCCc2c(C1)cco2)Cc1c[nH]nc1	EMOLS-id_318936792	245.277	HHFYIXRUSZSXQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014203
c1ccc(OCc2nnc3n2CCNCC3)nc1	ZINC22_306138682,EMOLS-id_50370068	245.28	SEEAXHJHPDJUCH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-014204
c1cncc(OCc2nnn3c2CNCCC3)c1	ZINC22_96084394,EMOLS-id_46181795,PC-id_97405221	245.28	IYRKIQASYOLIGL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-014205
c1(C(=O)Nc2[nH]ccn2)c2CCCCCc2n[nH]1	EMOLS-id_50403646,EMOLS-id_49246603,ZINC22_96224322,MCULE-7601392540,STOCK7S-46049,PC-id_75356982	245.28	VGCILXCBUNFCCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014206
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]cnc1	EMOLS-id_320290071,MCULE-1852232125	245.28	UNZBZWAGDCHATK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014207
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1n[nH]cc1	EMOLS-id_320154510,MCULE-9793685441	245.28	XFNHWIPGITULBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014208
CC1=Nn2cnnc2N(C(=O)C1CC=C)CC=C	PC-id_90917244,CT-id_2223239	245.28	ZNLVUONHEWBASN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014209
C=CC[C@@H]1C(=Nn2c(N(C1=O)CC=C)nnc2)C	2223239_OpenMolecule	245.28	ZNLVUONHEWBASN-SNVBAGLBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014210
Cn1nnc(n1)Cn1cc2c(c1)CCCCC2=O	PC-id_107045411	245.28	VUUNFTDVJULDFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014211
n12CCN(CCc1n[nH]c2=O)Cc1cccnc1	EMOLS-id_96925500,MCULE-6649318946,PC-id_110197866	245.28	UKXRWASFFSYCNZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-014212
n12CCN(CCc1n[nH]c2=O)Cc1ccncc1	PC-id_110197868,EMOLS-id_49731309,MCULE-4020613714	245.28	OHSUYEJOTMOUEL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-014213
O=C1CCCn2c(N1C)cc(n2)Cn1cncc1	SCHEMBL19659326	245.28	HMRNCIZDSQIJAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014214
O=c1cccnn1CC1CNCc2nccn2C1	EMOLS-id_50370921	245.28	IHDWBRKJVFADIG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-014215
O=c1cccnn1Cc1nnc2n1CCCCC2	EMOLS-id_111781239	245.28	KIAARMFMJCOKCG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-014216
O=c1cccnn1C[C@@H]1CNCc2nccn2C1	ZINC22_109670906	245.28	IHDWBRKJVFADIG-SNVBAGLBSA-N	00000000100000100101000000000010000000000000000000000000	31-01-014217
O=c1cccnn1C[C@H]1CNCc2nccn2C1	ZINC22_109670909	245.28	IHDWBRKJVFADIG-JTQLQIEISA-N	00000000100000100101000000000010000000000000000000000000	31-01-014218
O=c1cnccn1Cc1nnc2n1CCCCC2	EMOLS-id_98497527,ZINC22_329197327,MCULE-8097716293	245.28	UDZYKVHQUVMKNK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-014219
O=C(N1CCCc2c(C1)c[nH]n2)Cc1cn[nH]c1	EMOLS-id_319852055	245.28	BORLDORGRGRVIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014220
Fc1ccc(Cc2nnc3CCCCCn23)cc1	EMOLS-id_320457484,MCULE-9846858783	245.295	AGEOWBRUDBTJNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014221
CS(=O)(=O)N1CCCn2c(cc(n2)CO)C1	PC-id_91828362	245.299	SKOFDTNTQMZDRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014222
O=S(=O)(CCO)c1nnc2n1CCCCC2	EMOLS-id_111452865,ZINC22_408306295,MCULE-6228944058	245.299	POTSOMBGSWFZDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014223
S1(=O)(=O)CCCCn2nc(nc12)CC(O)C	PC-id_83675668	245.299	PABZUZWWHUSILQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014224
c12-c(c(cccc1OCC)OCC)c(nc2C)C	ZINC22_54457,EMOLS-id_17418561,CoCoCo_800342,SCHEMBL14345869,PC-id_686809,MCULE-2117257165,TIMTEC302860,CK2061379,STOCK2S-54699	245.317	MBQYKDRORDKJIU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014225
CC1=C(CCC1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_102725254	245.317	UBQSVMMDBQIGBT-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-014226
CC(C)(C(C)(C)Oc1cnc2-c1ccccc2)O	PC-id_91281757	245.317	OMIVMTRXEQJCPF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014227
CCC(=O)c1cn(c2=CC(=CCC=c12)OC)CC	PC-id_143183955	245.317	PTYMAPARICOUDC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014228
o1c2CCC=CCCCCNC(=O)C=Cc(c2)c1	PC-id_71763940	245.317	FPJOSFYXJLHZFB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014229
o1c2-c(c(CN(C)C)c1=O)cc(C(C)C)ccc2	PC-id_10105925	245.317	SDPMJUDACYEZMK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014230
O=C(N1CCCc2c(C1)cco2)C1=CCCCC1	EMOLS-id_102257365	245.317	LQHRIEAXKMOBCQ-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-014231
O=C(N1CCCc2c(C1)cco2)C1CCC=CC1	EMOLS-id_102599505	245.317	NQJZXBTWSKKGQY-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-014232
Cc1c(/C=C/c2ccccc2)nc2-c1ccccc2	PC-id_101450299	245.318	YVLJLGDNBIWNII-OUKQBFOZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014233
N(=Cc1c2-c(cc1)ccccc2)c1ccc(cc1)C	PC-id_11425103	245.318	ZCKHPUFSNYKKBG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014234
N(=Cc1c2-c(c(c1)C)ccccc2)c1ccccc1	PC-id_10681813	245.318	NFNRZNCHFHMMEN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014235
N#CC=C(C=CC=Cc1c2-c(cc1)ccccc2)C	PC-id_54338089,SCHEMBL9247720	245.318	TWYPOHRIXXYTGW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014236
C1CCc2c(CC1)[nH]nc2CNCc1ccco1	EMOLS-id_314123176,PC-id_62113039	245.32	WTICTIGUAAXHCI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014237
Cc1coc(CN2CCCc3c(cnn3C)C2)c1	EMOLS-id_313178191,ZINC22_894988337,MCULE-5259351321	245.32	XYRSPPZBTVTTOS-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014238
Cc1nc2c([nH]1)CC=CC(=C2)/C=C/CC(C)NO	SCHEMBL20145735,PC-id_134504029	245.32	RXHLPVWOGNCMQE-ZZXKWVIFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014239
Cc1nc2c([nH]1)CC=CC(=C2)CN1CCOCC1	PC-id_143600882	245.32	QJZAVICIVCVXFC-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-014240
CC(C)C#CC(=O)N1CCCc2c(cnn2C)C1	EMOLS-id_316175445,MCULE-3318938271,ZINC22_952895687	245.32	VXPOZZITCOSHFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014241
CO/C(=C/Cc1cnc2n1C=CC(N=C2)(C)C)/C	PC-id_142111822	245.32	ZBGAOPRUABNDGG-VZUCSPMQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014242
o1nc(cc1Cn1cc2C(N)CCCCc2c1)C	PC-id_83208532	245.32	UMRRBDLFKSPDRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014243
o1nccc1Cn1cc2C(NC)CCCCc2c1	PC-id_83207783	245.32	WABJGPJYNVMVTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014244
o1nc(Cn2cc3C(N)CCCCc3c2)cc1C	PC-id_83207954	245.32	WGJNGNNPLORSSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014245
OC1c2c(CCCC1)cn(c2)Cc1cn(nc1)C	PC-id_83209166	245.32	CXSVQLAEBXMHPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014246
OC1c2c(CCCC1)cn(c2)Cc1n(ccn1)C	PC-id_83208970	245.32	HVRJNELRXXOTEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014247
OC1c2c(CCCC1)cn(c2)Cc1n(cnc1)C	PC-id_83208644	245.32	HUUAEKXEMYXXKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014248
OC1c2c(CCCC1)cn(c2)Cc1nn(cc1)C	PC-id_83208448	245.32	HOFVHTSASXTEIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014249
OC1c2c(CCCC1)cn(c2)CCn1ccnc1	PC-id_83207775	245.32	QVNOTUNQEOUOHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014250
OC1c2c(CCCC1)cn(c2)CCn1nccc1	PC-id_83208439	245.32	MFHMKECGKFEVKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014251
O=c1c2n(nc(c2cccc1)C)CCCN(C)C	PC-id_15025750	245.32	LCZSFZYIXAONKI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014252
CC1CN(Cc2c(C1)[nH]nc2)Cc1nccn1C	EMOLS-id_318924918	245.323	MGKGNNNDVDESOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014253
CC1CN(Cc2c(C1)[nH]nc2)Cc1[nH]cc(n1)C	EMOLS-id_319846184	245.323	MCDJYNRQXCIBPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014254
CC1CN(Cc2ccn(n2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319351671	245.323	FZYNKAQCGJBWAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014255
CC1CN(CCn2cncc2)Cc2c(C1)[nH]nc2	EMOLS-id_319190078	245.323	DWGXVILVCJRNDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014256
Cn1ccnc1CN1CCCc2c(C1)cnn2C	EMOLS-id_318983018	245.323	OLUCPCZBZOIFCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014257
Cn1cncc1CN1CCCc2c(C1)cnn2C	EMOLS-id_319927227,MCULE-1549870784	245.323	QADYTYKZJIAZJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014258
Cn1ncc(c1)CN1CCCc2c(C1)cnn2C	EMOLS-id_320226559,MCULE-7759893125	245.323	BLRGYKPFCSLDDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014259
Cn1nnc(c1)Cn1cc2c(c1)CCCCC2N	PC-id_107045593	245.323	LDIRCNDBRSKGLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014260
n1(cc2C(N)CCCCc2c1)Cc1n(cnn1)C	PC-id_83209067	245.323	WQTCBFQIWSHILG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014261
n1(cc2C(N)CCCCc2c1)Cc1n(ncn1)C	PC-id_83208692	245.323	WKBHRQLUEKYBJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014262
N#CCN(C1CC1)Cc1nnc2n1CCCCC2	EMOLS-id_99171877	245.323	FLIRWBNPEGSEID-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014263
FC(CNCc1cc2c(s1)CCCCC2)F	EMOLS-id_314804199	245.332	PSMXJXJJSBFXLV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014264
FC(CNCc1csc2c1CCCCC2)F	PC-id_114749066	245.332	NFWYKNBAZHVZGU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014265
c1ccc(cc1)CN1CCOc2c(C1)scc2	PC-id_101492443	245.34	QLTMRLDWMFQTFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014266
O=C1CCCCc2c1cn(c2)Cc1cccs1	PC-id_83207010,EMOLS-id_315764372	245.34	LADPYFVPTIKZHC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-014267
O=C1CCCCc2c1cn(c2)Cc1ccsc1	EMOLS-id_315761299,PC-id_83206143	245.34	XHGFWBPEQILRBZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-014268
O=C(c1ccc[nH]1)c1cc2c(s1)CCCCC2	EMOLS-id_39989405,PC-id_63749613	245.34	SKZUNHIPXGSBGV-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-014269
O=C(c1c[nH]cc1)c1cc2c(s1)CCCCC2	PC-id_63749089,EMOLS-id_39989737	245.34	RKIOEMWYLPOMBP-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-014270
NS(=O)(=O)c1cc2c(s1)C=CC=CS2	PC-id_140346440	245.342	ZKLRTYGCLYZURQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014271
c1ccc(Cc2nnc3n2CCSCC3)cc1	MCULE-5156926068,EMOLS-id_317890002,PC-id_138807455,ZINC22_1775980241	245.343	VVJOUQZZVMMATM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014272
CC1=Cc2ccc(n2CCCC1)C(=O)C(C)(C)C	PC-id_101173854	245.36	VYYCSQISMCJGDA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014273
CCCCCC(C1=CCc2c(C=C1)onc2)(C)C	PC-id_139385034,SCHEMBL21239993	245.36	SFPXAQDQRWJGRQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014274
C=CCCCCCn1cc2c(c1)CCCCC2=O	PC-id_107008120	245.36	GTIAUFNRNLFPDZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014275
O=C1c2c(cn(CC3CCCCC3)c2)CCCC1	EMOLS-id_315760787,PC-id_83207485	245.36	KBASRVVULQAFJU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-014276
O=C1CCCCc2c1cn(c2)CCC1CCCC1	PC-id_114191638	245.36	VWZKHTDSFJZNHN-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-014277
CCS(=O)(=O)c1cc2c(s1)CCNCC2	PC-id_24782857,SCHEMBL1181609	245.362	FOIXJIRKUYJBOI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014278
NS(=O)(=O)Cc1cc2c(s1)CCCCC2	EMOLS-id_50799079,PC-id_112639921	245.362	WUMJHEUQPMAFQX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014279
CCC/C=C/c1nn2c(c1)N(C)C(=C)C(CC2)C	SCHEMBL19659131	245.363	PJCWOUHLOYMAIG-BQYQJAHWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014280
CCCCC(Cc1c[nH]c2=CCC(=CC=c12)N)N	PC-id_145642994	245.363	BXCMDQMHKJRBLF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014281
CCNC1CCCCc2c1cn(c2)CCCC#N	EMOLS-id_315764383,PC-id_83209100	245.363	YFSCMXGQVBQGDV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014282
n1(cc2C(N)CCCCc2c1)CCC(C)(C)C#N	EMOLS-id_315762845,PC-id_83208800	245.363	ZDKDFRFFQSOMTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014283
n1(cc2C(NC)CCCCc2c1)CCCCC#N	EMOLS-id_315764638,PC-id_83207690	245.363	GBPRNWLKDJRDGB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014284
S=c1ccc2c(n(CCCC)c(c2cc1)C)C	PC-id_12493585	245.383	BJYJWMVVBRRAMU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014285
O=CC1=C(Cl)c2sccc2N(CC1)P	SCHEMBL19454386	245.666	KDPBFZRSULJLGL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014286
ClCCCCC#Cc1cc2=CC=CCC=c2[nH]1	PC-id_143581894	245.747	LCVFHLAXNSKIDB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014287
ClCCCSc1n2CCCCCc2nn1	PC-id_43445899,EMOLS-id_37644432	245.772	ILEBXZSNFGQHAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014288
s1c2c(nc1N)CCN(CC2)CC=C.Cl	CHEMBL1504869	245.772	AFOGLDDNZFXNPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014289
C1[C@@H](CN2C=C(C=C2C(=O)N1)Br)F	PC-id_165375791	245.98	KOGBKRXYQZNYIB-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-014290
C1CC(COC2=CSC=C21)(CS)CS	PC-id_164994722	246.021	HJOWREABQXFHHE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014291
[I]1=CC=c2c(=CC1)occ2	PC-id_142017336	246.045	XPBVAPLOSNQFGD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014292
C1CNC=C(C2=NNC(=C21)C(F)(F)F)C(=O)[O-]	PC-id_153716440	246.05	PUKZGNPZEWSZKX-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-014293
C[C@@H]1CN2C(=C(N=C2Cl)C(O)OC)CCO1	PC-id_149344490	246.077	YEUNPLOEWTYILY-VJSCVCEBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014294
[se]1nc2N(C(=O)COC(=O)c2n1)C	PC-id_10800421	246.082	PEDDOLFIJARDPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014295
Brc1c2-c(c(c1C)C#N)ccccc2	PC-id_11334073	246.103	OCDYMXRUZQNGIW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014296
BrCc1cc(c2-c1ccccc2)C#N	PC-id_121009278	246.103	RNYMOEFTBSLPCV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014297
FC1(F)CCc2n(C(C1(F)F)(F)F)nnn2	SCHEMBL16255514,PC-id_117711203	246.113	ZMQDREOSHNZIBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014298
FC1(F)CCC(C(c2n1nnn2)(F)F)(F)F	SCHEMBL16255493,PC-id_117711188	246.113	ZGSHOZDAZILEOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014299
FC1(F)CC(F)(F)C(Cc2n1nnn2)(F)F	SCHEMBL16255518,PC-id_117711207	246.113	HFWCXXXFXOHRKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014300
FC1(F)CCn2c(C(C1(F)F)(F)F)nnn2	PC-id_117711205,SCHEMBL16255516	246.113	DPGLBGGRKAURAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014301
FC1(F)Cn2nnnc2C(C(C1)(F)F)(F)F	SCHEMBL16255494,PC-id_117711189	246.113	LGZDUHOLOYUPMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014302
Brc1cc2c(CCCNC2=O)s1	MCULE-6940393944,PC-id_83679213,EMOLS-id_316740629,SCHEMBL18304962,ZINC22_211320204	246.124	AHGGZYAEMZORKU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014303
Brc1sc2c(CCCNC2=O)c1	PC-id_82384744	246.124	OWFORQPUZTYUAE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014304
Brc1sc2CCCC(=O)Nc2c1	PC-id_17389499	246.124	NFITZFCFYRFSAW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014305
Brc1sc2CCC(=O)NCc2c1	PC-id_82384745	246.124	QUAVHFYPFVXHGU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014306
Brc1sc2c(CNCCC2=O)c1	PC-id_83679550	246.124	XHBWOKMZUKTKPF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014307
Brc1sc2CCNC(=O)Cc2c1	PC-id_84049146	246.124	DKEYEGFRCWIUBR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014308
Brc1sc2CNCCC(=O)c2c1	PC-id_83679527	246.124	FLSFWMCQZFXXEC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014309
Brc1scc2c1CCCNC2=O	PC-id_82622719	246.124	PRCVLYTUIHADEZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014310
Brc1scc2CCCNC(=O)c12	PC-id_82622720	246.124	IZFSMNVAPCVZJS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014311
O=C1c2c(c(cs2)Br)CCCN1	MCULE-3702894154	246.124	UVXPWEMZBGUYDS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014312
C1CNC(=S)Cn2c1cc(n2)Br	PC-id_135343280,SCHEMBL20517629	246.128	XOPDQZBNVXBSSN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014313
CC(C)C1=NN2CC(=O)N(CCC2=C1)C(C)C#N	PC-id_153397765	246.148	NQVKRXIHXSGDHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014314
CC(C#N)C(=O)N1CC2=C(CC(C1)(C)C)NN=C2	EMOLS-id_317274871,PC-id_154763841,MCULE-5888084228	246.148	NMSNSPZERWMEBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014315
Brc1cc2c(s1)C(C)CNCC2	PC-id_11694443,SCHEMBL3007383	246.167	UMPXRMVBGTUSCG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014316
Brc1cc2c(s1)CCNCC2C	PC-id_11521619,SCHEMBL2998073	246.167	AVFJQVSPBXNQBF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014317
Brc1sc2c(c1C)CCNCC2	SCHEMBL2998320,PC-id_11550523	246.167	OEQMDAVDPZDCCR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014318
Brc1sc2c(c1N)CCCCC2	EMOLS-id_96535303,PC-id_121599867	246.167	ISQPYEKONKYFDR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014319
Brc1sc2c(C[C@@H](NCC2)C)c1	PC-id_24783365,SCHEMBL1181676	246.167	AOULVEPYFIKKNU-LURJTMIESA-N	00000000100000000100000000000010000000000000000000000000	31-01-014320
Brc1sc2c(C[C@H](NCC2)C)c1	SCHEMBL1181674,PC-id_24783364	246.167	AOULVEPYFIKKNU-ZCFIWIBFSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014321
Brc1sc2CCCN(Cc2c1)C	PC-id_82384737	246.167	HAUYINBOHGLSTK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014322
Brc1sc2C(CCNCc2c1)C	PC-id_83693133	246.167	PBBCAJXVTNFRNE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014323
Brc1sc2c(CC(NCC2)C)c1	PC-id_58256116,SCHEMBL1181673	246.167	AOULVEPYFIKKNU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014324
Brc1sc2CCN(CCc2c1)C	SCHEMBL13354876,PC-id_70886789	246.167	UHGNCVYEYBJATB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014325
Brc1sc2c(C(NCCC2)C)c1	PC-id_83693134	246.167	OGWMMZZJXGSRAV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014326
Brc1sc2c(n1)CCCCCC2	EMOLS-id_97270748,PC-id_112623621	246.167	VCRGSKZPSRVTKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014327
Brc1sc2CN(CCCc2c1)C	PC-id_82384726	246.167	YGEDMWIZZLLRBO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014328
Brc1sc(c2c1CCCNC2)C	PC-id_82622722	246.167	FRTFCCGLYGAHBE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014329
Brc1scc2CCN(CCc12)C	PC-id_82384728	246.167	XTSPKFBNPHVXGY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014330
[B](C)N1C2=C(CCCC(CC2)CC(=O)CC)N=N1	PC-id_147547591	246.178	WXFLYYHZQMAIQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014331
C=CNCCCCC1=NN2CCCNC(=C)C2=C1	PC-id_165140127	246.184	ABFBQDMPXCHDRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014332
o1c2-c(c(c1=O)C(=O)C)ccccc2OC(=O)C	PC-id_85595805	246.216	DVHBBXQTMRIVAQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014333
CC(=O)Oc1ccc2-c(cc1)nc(n2)OC(=O)C	PC-id_121008335	246.219	LXZYBUSGLHVPEU-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-014334
O=c1n(c2-c(c1C(=O)N)ccccc2)CC(=O)O	SCHEMBL11270472,PC-id_12852685	246.219	UZMRTZFXLDUDBY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014335
O(C(=O)C1=C(n2c(=NN=N1)c(=C=N)nc2)C)CC	PC-id_15967636	246.225	GERJTSYUXORHAH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014336
O(C(=O)C1=C(n2c(N=NN1)c(nc2)C#N)C)CC	PC-id_10401614	246.225	QPUDKARUFWSKHX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014337
c1(C(F)(F)F)nn(c2OCCC=Cc12)C(C)C	EMOLS-id_320453137,MCULE-3229992397	246.229	ZZBFMMVQJZFPRM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014338
CC1(C)CN[Se]c2c(C1)ccs2	PC-id_143004380	246.231	BNPZKYCSLKQMRR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014339
COC(=O)c1c2-c(cccc(c2)C(C)C)oc1=O	SCHEMBL10416090,ZINC22_34147371,PC-id_10060462,EMOLS-id_28204518,MCULE-1427120306	246.259	HOVPKDFNWCKKGB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014340
COC(=O)c1c(=O)oc2-c1cccc(c2)C(C)C	PC-id_139715346	246.259	LFDFRTPEMHWPNI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014341
COC(=O)c1c(=O)oc2-c1ccc(C(C)C)cc2	SCHEMBL10415293,PC-id_14515736,MCULE-7925433502	246.259	AIUSVDWWUJHIOV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014342
c1(C(=O)c2ccco2)n(O)c2c(CCCCC2)n1	CHEMBL1306527,MCULE-4807467248,CoCoCo_1842178,ZINC22_210494,EMOLS-id_2021783,ChEMBL-DNDi_CHEMBL1306527,PC-id_755648	246.262	HPKFQCUDOHZVAZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014343
CCOC(=O)c1cn2c(c1)C(=O)C(CCC2)C#N	PC-id_67228645,SCHEMBL1961025	246.262	JLNNBDZFZKTGIL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014344
OCC1(COC1)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_319856234	246.262	NKTZOFBWRUGSQZ-UHFFFAOYSA-N	00001010100000000111000000000010000000000000000000000000	31-01-014345
O=C(c1conc1C)N1CCCc2c(C1)cco2	EMOLS-id_319965341,MCULE-8263153298	246.262	SEWKQCLJOASHCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014346
O(C(c1[nH]c2c(n1)c(=O)cccc2)CC)C(=O)C	PC-id_11492493	246.262	JSMPKXIZUPIDAD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014347
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cocn1	EMOLS-id_320072696,MCULE-7517008902	246.265	KLCUDDGXNDANCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014350
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nocc1	MCULE-3877208908,EMOLS-id_320089776	246.265	YMOBPEUUHRQSKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014351
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ocnc1	EMOLS-id_319556269	246.265	WMDHGKVJWSGFDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014352
Cn1cnc(n1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99608503	246.265	AKFDFRPFYXDSHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014353
o1c(C(=O)N2CCn3c(nnc3)CC2)c(cc1)C	PC-id_56856637	246.265	UVIXYLSTFKQURM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014354
O=C(c1conc1C)N1CCCc2c(C1)c[nH]n2	EMOLS-id_317954690	246.265	RUASLWOXZHONPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014355
N#Cc1c(Nc2ccccn2)nc2-c1ccccc2	PC-id_101580632	246.267	KVEKMRJKNSLICW-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-014356
c1(C(=O)Nc2n[nH]cn2)c2CCCCCc2n[nH]1	EMOLS-id_50402317,STOCK7S-47186,PC-id_75490238,ZINC22_96231931,EMOLS-id_49248805,MCULE-7873051990	246.268	HQUHSNKGZLFROS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014357
O=C(c1n[nH]c2c1CCCCC2)Nn1ccnn1	EMOLS-id_278867239	246.268	RNDUYBZVORHFPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014358
O=C(Nc1cnn[nH]1)c1cnc2n1CCCCC2	EMOLS-id_316988328,MCULE-2964175902,ZINC22_935595925	246.268	XPXNKTAMKACZRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014359
CC(C)n1c2c(CCCCC2)c(n1)C(F)(F)F	SCHEMBL15723804,PC-id_90162210	246.272	JGDPXVLQMYTSIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014360
CNC1CCCCc2c1cn(c2)CC(F)(F)F	PC-id_83208461,EMOLS-id_314475354	246.272	YMIIXKQKNICJDE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014361
FC(F)(F)CCn1cc2C(N)CCCCc2c1	PC-id_83209146,EMOLS-id_314886410	246.272	IZTBCCVABBQHSE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014362
C(#Cc1cc2-c(ccccc2)c1)c1ccc(cc1)F	1507184_OpenMolecule,CT-id_1507184,PC-id_139039958	246.278	PIIWFXJOKKZCSW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014363
CNC(=O)C(Cc1ccc2-c1ccccc2)NF	SCHEMBL13139752,PC-id_59475590	246.28	SRJXJFDQRSUDLQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014364
Fc1cccnc1CN1CCCc2c(C1)cco2	EMOLS-id_318863410	246.28	TVFVAARCPRTWEE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-014365
Fc1ccc(cc1)CN1CCn2c(CC1)nnc2	CoCoCo_1329132,PC-id_29217251,CoCoCo_1329131	246.283	IDAOHHVWYNPIEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014366
Fc1ccccc1CN1CCn2c(CC1)nnc2	PC-id_28101078,CoCoCo_1414157,CoCoCo_1414156	246.283	OIJJYEJQIKIABR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014367
Fc1cc(CN2CCn3c(nnc3)CC2)ccc1	PC-id_56853264	246.283	OMIMHHZYNNUDHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014368
Fc1ccc(Nc2n3CCCCCc3nn2)cc1	PC-id_20873283	246.283	VDUAQVVIWDXRMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-014369
S(=O)(=O)(CC1n2c(noc2=O)CCCC1)C	PC-id_23516878	246.283	RMHDNVQIWBECBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014370
N#Cc1c(sc2=CC=CC(C=c12)(C)C)[N+](=O)[O-]	PC-id_142812505	246.285	CBEKBICZDLXMOP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014371
S(=O)(=O)(Nc1nc2-c(c1C#C)ccccc2)C	PC-id_86217005	246.285	RSPBXWCVVGUJMA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014372
CCS(=O)(=O)N1CCc2n(CC1)c(=O)[nH]n2	PC-id_110197871	246.287	CPFKKJYGORHJFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014373
Cn1nc2n(c1=O)CCN(S(=O)(=O)C)CC2	MCULE-2589318465,CHEMBL4581190,PC-id_110197891,EMOLS-id_49731343	246.287	CKHPYFTXMWECRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014374
CS(=O)(=O)NCc1n2c(CCOCC2)nn1	MCULE-8770179516,EMOLS-id_313476031	246.287	GVWYMINOUCBYCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014375
O(c1c(c2-c(c1)cc(cc(c2)[2H])[2H])C(=O)OCC)CC	PC-id_10490640	246.298	GKCKPAIBHSSYIA-QFIQSOQBSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014376
C/C/1=CCC/C(=C/Cc2c(C1)occ2C)/C(=O)O	UNPD10348	246.302	MQTBVBAENOJOHV-HJLNXPQNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014377
C/C/1=CCC/C(=CCc2c(C1)occ2C)/C(=O)O	UNPD84826	246.302	MQTBVBAENOJOHV-PHFXQHTASA-N	00000000100000000110000000000010000000000000000000000000	31-01-014378
o1c2c(C(=O)CC(CC(=O)C=C(C2)C)C)c(c1)C	PC-id_76463640	246.302	QXAXOEDQAYACSD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014379
o1c2c(C(=O)C[C@H](CC(=O)/C=C(C2)/C)C)c(c1)C	PC-id_56935768	246.302	QXAXOEDQAYACSD-QFQXNISHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014380
O=C(O)/C/1=CCc2c(occ2C)C/C(=CCC1)/C	PC-id_90471497,CNP0217646	246.302	MQTBVBAENOJOHV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014381
o1cc2c(C=CC=C(C)C#CC#CC(=CC=C2)C)c1	PC-id_85851722	246.303	HXSNOWSLOXPLGR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014383
O=C(c1c2-c(cc1)ccccc2)Cc1ccccc1	PC-id_12231635	246.303	BHDSPAXKEVAMLS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014384
O=C(c1c2-c(cc1C)ccccc2)c1ccccc1	PC-id_11010250	246.303	FNZLTGPGCZRDRF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014385
O=C(c1cc2-c(c1)ccccc2)Cc1ccccc1	PC-id_23269971	246.303	FBIUUMOUCKRQQL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014386
CC1C=c2c(CC(C(=O)O)N)c[nH]c2=CCC=C1	PC-id_143858659	246.305	FJABMUCBANPZHL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014387
C=CCNC(=O)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_314707894,PC-id_83206837	246.305	GHAHEUUUTJKLLD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014388
C#CCNC(=O)Cn1cc2c(c1)CCCCC2O	PC-id_83208711,EMOLS-id_315764380	246.305	UVGZESSEYMLJAY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014389
OC1c2c(CCCC1)cn(c2)Cc1noc(c1)C	PC-id_83208810	246.305	NRTSCYIBGUIWCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014390
OC1c2c(CCCC1)cn(c2)Cc1onc(c1)C	PC-id_83209063	246.305	FJULJFLSCCDGEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014391
O=C(Cn1cc2c(c1)CCCCC2=O)NC1CC1	EMOLS-id_315762069,PC-id_83206843	246.305	ZMGBHJSRLHHCIS-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-014392
ONC(=O)Cc1c[nH]c2c1C=CC(C)(C)C=CC2	PC-id_143263052	246.305	NUWCEYPPUIJJOV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014393
N(=Nc1ccc(cc1)C)c1c2-c(cc1)ccccc2	PC-id_15498285	246.306	VZMNIDRNETZGSR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014394
c1(Cc2c(C)noc2C)nnc2CCCCCn12	ZINC22_2356141705,MCULE-9846156005,EMOLS-id_337792284	246.308	MGZUDRJSJDALMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014395
C1CCn2c(CC1)nnc2CNCc1ccco1	MCULE-2534484722,PC-id_121846672,EMOLS-id_50952520	246.308	TUWWXKXBPJKXOD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014396
CC1CN(Cc2c(C1)[nH]nc2)Cc1nocc1C	EMOLS-id_319209652	246.308	CLHGZOUKXOQXCT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014397
CC1CN(Cc2ncc(o2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319058851	246.308	YUZTUYVEQQLJKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014398
CC1CN(Cc2noc(c2)C)Cc2c(C1)[nH]nc2	EMOLS-id_318930386	246.308	VIZACOGJKPRARZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014399
CCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C#N	EMOLS-id_319688216	246.308	ACRQQZAZQKZKIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014400
C#CCNCC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319146231	246.308	LVJUNEDDVWWFFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014401
Cn1nnc(c1)Cn1cc2c(c1)CCCCC2O	PC-id_107045448	246.308	XAKNOVPQXPRHPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014402
N#CCCCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319625583	246.308	KYJQOGQJTASOSK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014403
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N#CCNC(=O)Cn1cc2c(c1)CCCCC2N	EMOLS-id_314749670,PC-id_83208710	246.308	BNZOZMILSHCOHD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014405
o1c(nnc1C)Cn1cc2C(N)CCCCc2c1	PC-id_83209141	246.308	UHUHKPFSJJPGRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014406
o1nc(Cn2cc3C(N)CCCCc3c2)c(n1)C	PC-id_83207860	246.308	JEFICMSOFLLBGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014407
o1nc(nc1C)Cn1cc2C(N)CCCCc2c1	PC-id_83208155	246.308	ZWIGDWDAUCPQNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014408
o1nc(nc1Cn1cc2C(N)CCCCc2c1)C	PC-id_83207845	246.308	XVHIHFGAVMYMEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014409
o1nc(nc1)Cn1cc2C(NC)CCCCc2c1	PC-id_83208330	246.308	XKWUCPZEKZSMPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014410
OC1c2c(CCCC1)cn(c2)Cc1n(cnn1)C	PC-id_83208234	246.308	QETQPVBUKMFGJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014411
OC1c2c(CCCC1)cn(c2)Cc1n(ncn1)C	PC-id_83209062	246.308	HEUJOGLSYDHSQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014412
O=C(N(CC#N)C)Cn1nc2CCCCCc2c1	PC-id_53015701	246.308	AHWNPGHKAGJWMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014413
C1Cn2c(CCC1)nnc2Cn1cc(N)c(C)n1	CoCoCo_6788289,TIMTEC24807,MCULE-1436532344,ZINC22_35655618,EMOLS-id_27335962,PC-id_45602110	246.312	AAIIFQOGONQCIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014414
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CC1CN(Cc2c(C1)[nH]nc2)Cc1ncnn1C	MCULE-9106800418,EMOLS-id_319934906	246.312	UOIQIPVWPDMNNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014416
CC1CN(Cc2cnn(n2)C)Cc2c(C1)[nH]nc2	EMOLS-id_318768254	246.312	ACGPOEIBEJBADX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014417
CC1CN(Cc2cnnn2C)Cc2c(C1)[nH]nc2	EMOLS-id_318892316	246.312	BHCTYXSFWWZBMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014418
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Cc1nc(C)n(C[C@@H]2CNCc3nccn3C2)n1	ZINC22_306143955	246.312	YRVPFFHFXDGFHD-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014420
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CC#CCCC(=O)c1cc2c(s1)CCCCC2	PC-id_115801623	246.368	FVFAURCRXDOCHK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014475
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CCOC(=O)CCn1nc2C=CC(C=Cc2n1)C	PC-id_163540816	247.132	FAYDKHYZONXVRD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014507
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COC1CN(Cc2ccco2)Cc2ccnn2C1	EMOLS-id_50009194	247.293	HLHPYJGJBGTTLB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014549
CO[C@@H]1CN(Cc2ccco2)Cc2ccnn2C1	ZINC22_247830421	247.293	HLHPYJGJBGTTLB-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014550
CO[C@H]1CN(Cc2ccco2)Cc2ccnn2C1	ZINC22_247830423	247.293	HLHPYJGJBGTTLB-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014551
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OC1c2c(CCCC1)cn(c2)Cc1oc(nn1)C	PC-id_83208977	247.293	CRHBTWJEVKQNFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014555
OC1c2c(CCCC1)cn(c2)Cc1onc(n1)C	PC-id_83208956	247.293	GECLUNWFMBMEGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014556
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OC[C@H]1CCn2cncc2CN1Cc1ccco1	ZINC22_585096879	247.293	DYYJUSJTSJWXGT-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014560
OC[C@@H]1CCn2cncc2CN1Cc1ccco1	ZINC22_585096882	247.293	DYYJUSJTSJWXGT-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-014561
OC[C@H]1CCn2nccc2CN1Cc1ccco1	ZINC22_585097119	247.293	HPHJFGOWYRIUFT-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014562
OC[C@@H]1CCn2nccc2CN1Cc1ccco1	ZINC22_585097122	247.293	HPHJFGOWYRIUFT-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014563
OC[C@H]1CCn2nccc2CN1Cc1ccoc1	ZINC22_585096690	247.293	AIRFWXZKLGJDIR-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014564
OC[C@@H]1CCn2nccc2CN1Cc1ccoc1	ZINC22_585096691	247.293	AIRFWXZKLGJDIR-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014565
OC(=O)/C=C/C=C/n1nnc2c1CCCCCC2	PC-id_102105349	247.293	CWHCYTROMOAJMM-NXZHAISVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014566
c1ccc(cc1)/C=NNc1nc2-c(c1)ccccc2	PC-id_101006075	247.295	RIMFBPIAPMNVFF-ATVHPVEESA-N	00000010100000110110000000000010000000000000000000000000	31-01-014567
N(=Nc1ccncc1)c1c2-c(c(c1)C)ccccc2	PC-id_11032202	247.295	IOHDYJRTZZSIFV-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-014568
c1(Cc2c(C)n[nH]c2C)nnc2CCOCCn12	MCULE-9912545037,EMOLS-id_337820428,ZINC22_2356139936	247.296	NADRERJSQXXAJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014569
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CC1CN(Cc2onc(n2)C)Cc2c(C1)[nH]nc2	EMOLS-id_318842661	247.296	USLGDZYDTFVPEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014573
Cn1cccc1CN1CCc2n[nH]c(=O)n2CC1	PC-id_91922375	247.296	BQSMNBNJODXSQP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-014574
Cn1nnc(n1)Cn1cc2c(c1)CCCCC2O	PC-id_113909539	247.296	BWJZLBHSOKTGHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014575
N#CCNC(=O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319369883	247.296	FFFMQNUUZQYEBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014576
OCC1CCn2nccc2CN1Cc1cn[nH]c1	EMOLS-id_313816623	247.296	RRYPBGRENMPBRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014577
OCc1nccn1Cc1nnc2n1CCCCC2	ZINC22_2325879778	247.296	HWCQBHJMZCMNGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014578
OC[C@H]1CCn2nccc2CN1Cc1cn[nH]c1	ZINC22_585097838	247.296	RRYPBGRENMPBRI-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014579
OC[C@@H]1CCn2nccc2CN1Cc1cn[nH]c1	ZINC22_585097839	247.296	RRYPBGRENMPBRI-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014580
NCc1nnn(c1)Cc1nnc2n1CCCCC2	EMOLS-id_315681529,PC-id_113313953	247.3	BGTLTMKXFDNIOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014581
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CC1CCC(O1)Cn1cc2c(c1)CCCCC2=O	PC-id_113779597	247.333	PULCKXGYOHRVSW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-014585
CC(CC(=C)C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_319803088	247.333	PQJAWSOTUPTPAD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014586
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O=CCC1CCCCc2c1n(C)cc2C(C)(C)C	PC-id_143132615	247.376	IFYAUBPKZUCVQT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014641
C=C1CCn2c(C(C1)(C)C(C)C)nc(n2)C(C)C	PC-id_58110006,SCHEMBL136491	247.379	YFWCQBPBTDQDGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014642
Cc1ncc2n1CCCN(C2)CC1CCCCC1	SCHEMBL21240752,PC-id_139385741	247.379	PQGOQDOMYHCGGX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014643
CCNC1CCCCc2c1cnn2C(C1CC1)C	PC-id_113952788	247.379	ZTJGAUBNPUJYJM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014644
N1(CCCC1)CCn1cc2C(N)CCCCc2c1	PC-id_83208936	247.379	DGSVVAVQIRHFEZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-014645
n1c(CNC2CCCCC2)c2c(CCCCC2)[nH]1	EMOLS-id_314122920,MCULE-1666530090,PC-id_62113181	247.379	VQPUAHOBCIIZOW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014646
CC#CCC(c1cc2c(s1)CCCCC2)NC	PC-id_115819844	247.399	XTWNJDGPVHARDY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014647
C#CCCC(c1cc2c(s1)CCCCC2)NC	PC-id_115859467	247.399	PFQSZLPRNRGEFF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014648
C#CCCCC(c1cc2c(s1)CCCCC2)N	PC-id_105034146	247.399	QSBNOFVONOTLFA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014649
CC#CCCC(c1cc2c(s1)CCCCC2)N	PC-id_113673583	247.399	CKOGSZVSQKTPNQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014650
CCCCCC(c1nc2c(s1)CC=CC=C2)C	PC-id_145551067	247.399	LPQOIDUZXWGGCV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014651
CCCNC(c1cc2c(s1)CCCCC2)C#C	PC-id_104995505	247.399	XZHVDGJKMSRGJC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014652
CCNC(c1cc2c(s1)CCCCC2)CC#C	PC-id_114976899	247.399	QUKVTFVRXAFLHE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014653
s1c2c(CCCCC2)cc1C(N)C1=CCCC1	PC-id_62080345	247.399	DSINUEKQYZNWLT-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-014654
C1C(COC2=CSC=C2O1)(CS)CS	PC-id_164734476	248	QIIQCMKPBKZVIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014655
CC1(C=Cc2c(C=C1)n(c(n2)C#N)S(=O)[O-])C	PC-id_164090066	248.05	YHSWDLITEFPKDA-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-014656
s1c2CCCC(=O)N(c2cc1)C[B-](F)(F)F	PC-id_63749510	248.053	FIFJYFXQLOEGCB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014657
CC1=Nn2c(nnc2Cl)NC(=O)C1(C)Cl	PC-id_135697351	248.069	WPABTZJOMLNZKE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014658
ClC1(Cl)C(=O)N(c2n(N=C1C)cnn2)C	PC-id_12554233	248.069	HBBWXFNAJJOJDC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014659
COC1=CC(=CC2=C(C=C(C2=C1)OC)OC)OC	PC-id_153979003	248.105	JVXNLXHAASTWTG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014660
CCC1(CNCc2nnc(n2C1)C(F)(F)F)C	PC-id_163591004	248.125	GPNMAZNBWOLSEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014661
CCC1(C=CC2=[N+](C(=C(N2)C)C(=O)OC)N=C1)C	PC-id_153553671	248.139	AHFCOBWQYBMNPH-UHFFFAOYSA-O	00000000100000000111000000000010000000000000000000000000	31-01-014662
Brc1sc2c(C(O)CCNC2)c1	PC-id_83679526	248.14	AWQFVVXAJNDUET-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014663
Brc1sc2C(O)CCNCc2c1	PC-id_83679559	248.14	KHOSLPXFWMKTMA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014664
CC1CCC=C2C(=C1)C(=CN2)CC(C)(C(=O)O)N	PC-id_163858842	248.152	PASUJAKCPLNNQT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014665
O=c1c(cc2n(cnc2cc1C(=O)O)C)C(=O)O	PC-id_13123538	248.192	QUABPXUYHIELOM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014666
OCc1[nH]c2c(c1C(F)(F)F)C(=O)NCCC2	PC-id_143515091	248.202	ACEUBXJVXHNAHQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014667
OC(=O)c1c2CCCCCn2nc1C(F)(F)F	EMOLS-id_337770790	248.202	UVNAVXAKQCBZBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014668
NC1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18365790	248.205	IZMRDRWWEOHAFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014669
Nc1nc2=CCC=C(C=c2s1)OC(F)(F)F	SCHEMBL18949823	248.225	BQSLHKKVTDAHDT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014670
CCOC(=O)c1c(oc2c1ccc(cc2=O)C)O	PC-id_135471348	248.231	WXGDWKIPGALDKR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014671
o1c2-c(c(c1=O)C(=O)OC)ccccc2OCC	PC-id_10106044	248.231	QZEVNRGODUEMFI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014672
o1c2-c(c(c1=O)C(=O)OCC)ccccc2OC	PC-id_10399749	248.231	DOTJTYBYSQDQSO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014673
o1c2-c(c(c1=O)C(=O)OCC)ccc(cc2O)C	PC-id_54680401	248.231	RSUADPXWHRAHKP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014674
O(C1=CCN(C(=O)c2[nH]ccc12)C(=O)C)C(=O)C	PC-id_14666664	248.235	AMYOJMBKNFDVLN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014675
C1CN(CCn2c1n[nH]c2=O)C(=O)c1ccco1	PC-id_91922359	248.238	FSEDTLWSNAFKGZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014676
CN(C1=NC(=O)Cc2c(N1)[nH]c(=O)[nH]2)/C=CN=C	PC-id_137220664,SCHEMBL19074077	248.241	HJXLJLBATUROCD-ARJAWSKDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014677
n12CCN(CCc1n[nH]c2=O)C(=O)c1cc[nH]n1	EMOLS-id_96925435,MCULE-4508302258,PC-id_110197863	248.241	QPECTLUYDGVHDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014678
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FC(CNCc1nnc2n1CCCCC2)(F)F	EMOLS-id_42140794,PC-id_79258501	248.248	FJVVEWJWPXWYMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014681
FC(F)(F)CN1CCc2c(nn(c2N)C)CC1	PC-id_83919698	248.248	SNGCWUULDJXBNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014682
FC(F)(F)CN1CCc2n(nc(N)c2CC1)C	PC-id_83919697	248.248	MTWNLWHVOGZCQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014683
Nc1nc2c(CC(CCC2(F)F)C(=O)O)s1	EMOLS-id_330022155	248.25	QERBXEHGYBZVDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014684
CC1=C/C=Cc2ccc(o2)C(=O)OCCCCO1	SCHEMBL19223195	248.274	GDXKXENWVZKBTR-RXNMKLAZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014685
O=C(c1c2-c(cc1)ccc(O)cc2)c1ccccc1	PC-id_10848144	248.276	ADEQACXWEYDOPT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014686
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c1ccc2-c(c(cc2)N=Nc2ccc(cc2)O)cc1	PC-id_136185844	248.279	NJJFDUAMZCFKBS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014689
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O=C(c1ccc2-c1ccccc2)Nc1ccncc1	SCHEMBL7020626,PC-id_69962666	248.279	JUDZGOBBBGNFMI-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-014693
c12C(=O)NCCCc1[nH]c(C(=O)N1CCCC1)n2	MCULE-5911351115,ZINC22_95524150,EMOLS-id_48643754,PC-id_72916811	248.281	GVJDXLVALDAZSZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-014694
c1(Cc2c(C)noc2C)nnc2CCOCCn12	MCULE-1353766719,ZINC22_2356145576,EMOLS-id_337810479	248.281	QWBUEVFEQQJAKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014695
c1(C(=O)N2CCCC2)nn2c(C(=O)NCCC2)c1	SCHEMBL3134476,PC-id_68524201,ZINC22_143393420,EMOLS-id_320304291,MCULE-2840192569	248.281	AWPQMQFVBNOPEF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-014696
CCOC(=O)c1nn2c(c1)/C(=C/C=N)/NCCC2	SCHEMBL19737284	248.281	ITAUCMWPEILOKC-BJJOBZLESA-N	00000000100000000101000000000010000000000000000000000000	31-01-014697
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OCc1nnc2n1CCN(CC2)Cc1cocc1	PC-id_97519273	248.281	MSAVKQVELZVJKH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-014702
Cc1cnc(o1)CNC1CCn2c(CC1)nnn2	EMOLS-id_316659550	248.284	PJXOZCZLRFVPDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014703
Cc1coc(n1)CNC1CCn2c(CC1)nnn2	EMOLS-id_319060838	248.284	UFTLTENBLZGXAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014704
Cn1cnn(Cc2nnc3n2CCCCC3)c1=O	MCULE-8941054004,EMOLS-id_316188702,ZINC22_577015762	248.284	CKIYSSQMNOLWIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014705
O=c1n(C)ncn1Cc1nnc2n1CCCCC2	EMOLS-id_99212382	248.284	BOBOEYKMDVYFNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014706
CCOC(=O)CSc1nc2-c(n1)ccccc2	PC-id_121001352	248.301	YEOUIPJPEPOXEU-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-014707
[n+]1(ccc(/N=N/c2c3-c(cc2)ccccc3)cc1)C	PC-id_10904860	248.302	XKCHWMWRHPHGRH-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-014708
[n+]1(cc(/N=N/c2c3-c(cc2)ccccc3)ccc1)C	PC-id_11100834	248.302	WGZIEZNRXKXFBW-ISLYRVAYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-014709
[n+]1(c(/N=N/c2c3-c(cc2)ccccc3)cccc1)C	PC-id_85875432	248.302	NBUQVSLQNXSKRX-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-014710
O=C1NCCCc2c1cn(n2)Cc1ccns1	EMOLS-id_279158217	248.304	GLQLYEVXYXBJFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014711
o1c(c2c(c1C)C(=CCC=C2OCC)OCC)C	PC-id_23731564	248.317	JMVFEHWMJYJQPR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014712
CC(c1cc2-c(c1)ccccc2)(c1ccccc1)O	PC-id_102217140	248.319	NBYWZCYZNWOUGN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014713
CC(c1ccccc1)(c1ccc2-c(cc1)ccc2)O	PC-id_102217141	248.319	RCCVIWSBPLDTOG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014714
Oc1ccc(Cc2c3-c(c(c2)C)ccccc3)cc1	PC-id_10514709	248.319	SIUYKSDSVWUHNM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014715
OC(c1ccccc1)Cc1ccc2-c(cc1)ccc2	PC-id_122403808	248.319	AVGMFZLPGQDVEH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014716
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c1(C(=O)N2CCCCC2)c2CCCCCc2on1	EMOLS-id_32809242,MCULE-5852394777,PC-id_20923859	248.321	BGQGADXNFGJYKK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014720
CC1CC(C1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101015406	248.321	GJEKZBQIWLVNIC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-014721
CC1CCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102691365	248.321	AHIDERIOWDMESE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-014722
CC1CN(C1C)C(=O)c1noc2c1CCCCC2	EMOLS-id_102719716	248.321	SXBMFQWZKWITSC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-014723
C=CCNC(=O)Cn1cc2c(c1)CCCCC2O	EMOLS-id_314996253,PC-id_83208901	248.321	ASEUEIFFDSPCLM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014724
CCCNC(=O)Cn1cc2c(c1)CCCCC2=O	PC-id_83206829,EMOLS-id_315764116	248.321	YMHTTZOQBQCADV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014725
C[C@@H]1CCC=c2c(=C1)c(c[nH]2)CC(C(=O)O)(N)C	PC-id_143858657	248.321	PASUJAKCPLNNQT-UCWRFOARSA-N	00000000100000000110000000000010000000000000000000000000	31-01-014726
CCNC(=O)CCn1cc2c(c1)CCCCC2=O	PC-id_83208196,EMOLS-id_314707638	248.321	BXWRBHGIUKGTMS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014727
CC(NC(=O)Cn1cc2c(c1)CCCCC2=O)C	EMOLS-id_315107886,PC-id_83207374	248.321	FAHBRMMGVZWLAP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014728
CCN(C(=O)Cn1cc2c(c1)CCCCC2=O)C	EMOLS-id_315761558,PC-id_83208840	248.321	PXXDOEWWUWTQSA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014729
CCOC(=O)c1n(C)nc2c1CCCCCC2=C	SCHEMBL10080622,PC-id_68029387	248.321	HQZOSAHUGIXQBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014730
CCOC(=O)c1nn(c2c1CCCCCC2=C)C	PC-id_68029388,SCHEMBL10080623	248.321	XMUVGOPMBWTMNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014731
CN1CCCC1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_102586949	248.321	IAPBFZHGRQHZAU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-014732
CNC1C(=O)N(CCc2c1occ2)CC1CCC1	PC-id_20593846,SCHEMBL14171347	248.321	KEBDZWOHKJZVGP-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-014733
CN(C(=O)CCc1c[nH]c2c1C(=O)CCCC2)C	SCHEMBL6692185,PC-id_60113743	248.321	TXBPGDQYFJDYDX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014734
CNC(=O)CCCn1cc2c(c1)CCCCC2=O	PC-id_83208487,EMOLS-id_315010463	248.321	SFPUXPDRMYOQLU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014735
CN(C(=O)CCn1cc2c(c1)CCCCC2=O)C	EMOLS-id_315762068,PC-id_83206151	248.321	UKNHZEAJTFSCLQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014736
COC1CN(Cc2cccn2C1)C(=O)C1CC1C	EMOLS-id_55750707	248.321	WOMPYYRGTFQJSC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014737
CO[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)Cc2cccn2C1	ZINC22_575406291	248.321	WOMPYYRGTFQJSC-DRZSPHRISA-N	00100000100000000101000000000010000000000000000000000000	31-01-014738
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CC1CCCCN1Cc1nnc2n1CCCCC2	EMOLS-id_102270264	248.367	MFIXPUGSBPAEOG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014838
CC1C(C)CCN1Cc1nnc2n1CCCCC2	EMOLS-id_102753962	248.367	NUQQDHIABDCZMU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-014839
CC1CCC(N1Cc1nnc2n1CCCCC2)C	EMOLS-id_102684977	248.367	PDVSQJVCHNFWTN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-014840
CC1CCCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_102595759	248.367	WIBDNMRZMBNCNG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014841
CC1(C)CCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_102676662	248.367	BYEVIKIDWXDDBN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-014842
CC1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_102441260	248.367	HZBVAHUUQRSWCM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014843
CC1CCN(Cc2cc3n(n2)CCCNC3)CC1	MCULE-9570380498,ZINC22_601013353	248.367	PGKVGAUNADOKPV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014844
CC1CN(CC2CCCN2C)Cc2c(C1)[nH]nc2	EMOLS-id_319425305	248.367	FQHCVZFQIIMFSL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-014845
CC(C1(C)CC1)NCc1nnc2n1CCCCC2	MCULE-5174674734,PC-id_75382449	248.367	ZJVMIKAMNHTRJN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014846
CCC1CCc2nnc(CN3CCCC3)n2CC1	EMOLS-id_337808478	248.367	MVEKCZPBNAIOCF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-014847
CC#CCCC(c1cc2c(s1)CCCCC2)O	PC-id_115833693	248.384	BCXUAXJLNNXNRA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014871
CC[C@@H]1CCc2nnc(CN3CCCC3)n2CC1	ZINC22_2356157708	248.367	MVEKCZPBNAIOCF-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-014848
CC[C@H]1CCc2nnc(CN3CCCC3)n2CC1	ZINC22_2356157709	248.367	MVEKCZPBNAIOCF-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-014849
C[C@H](NCc1nnc2n1CCCCC2)C1(C)CC1	PC-id_97229232,ZINC22_95419396	248.367	ZJVMIKAMNHTRJN-NSHDSACASA-N	00100000100000000101000000000010000000000000000000000000	31-01-014850
C[C@@H](NCc1nnc2n1CCCCC2)C1(C)CC1	ZINC22_95419397,PC-id_97229233	248.367	ZJVMIKAMNHTRJN-LLVKDONJSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014851
CCN1CCN(C(=C)c2c1ncn2C)C(C)(C)C	PC-id_143803012	248.367	PBNSQRSMUHBXHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014852
C(NCc1n[nH]c2c1CCCCC2)CNC1CC1	EMOLS-id_315866614,PC-id_104378597	248.367	GMLAUFLOWAZBOL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014853
CN(C)Cc1cnc2CCN(CC3CC3)CCn12	PC-id_97466961,ZINC22_96196816,EMOLS-id_44328563	248.367	IFGNWEIUEKYSQS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014854
CN(C)CC1CN(CC2CC2)Cc2nccn2C1	EMOLS-id_46148537	248.367	RJYKWIKFRHPLFY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014855
CN(C)C[C@H]1CN(CC2CC2)Cc2nccn2C1	PC-id_97381840,ZINC22_96059187	248.367	RJYKWIKFRHPLFY-ZDUSSCGKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014856
CN(C)C[C@@H]1CN(CC2CC2)Cc2nccn2C1	PC-id_97381841,ZINC22_96059188	248.367	RJYKWIKFRHPLFY-CYBMUJFWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014857
n12CCCCCc1nnc2CCC1CCNCC1	MCULE-5973281556,PC-id_62215549,EMOLS-id_314160309	248.367	RAUSSRFSZGUWBT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014858
n12c(nnc1CCCCC2)C(N)C1CCCCC1	PC-id_54901542	248.367	OWKHHOQVUMYLEE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014859
N1(CCCC1)CCCc1n2CCCCCc2nn1	PC-id_52423765	248.367	DTKAFFLWLGBZOW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-014860
N1C(CCCC1)CCc1n2CCCCCc2nn1	PC-id_55049798	248.367	UJOLRUOHNSGKJW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014861
N1CC(CCC1)CCc1n2CCCCCc2nn1	PC-id_61705585	248.367	FSOLMVXUVGVHEW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014862
N1CCC(CC1)Nc1n[nH]c2c1CCCCCC2	PC-id_113618888	248.367	WNBUXJDDWDOEPE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014863
N(C1CCCC1)C(c1n2CCCCCc2nn1)C	PC-id_43746924	248.367	GTFVTARZWVQGQX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-014864
NC1(CCCCC1)Cc1n2CCCCCc2nn1	PC-id_64672805,EMOLS-id_315299342	248.367	IZQPZTLTFJCEFF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014865
Nc1ncc2n1CCCN(C2)CC1CCCCC1	SCHEMBL16835418,PC-id_118173761	248.367	SZEBZNYJDCWBSE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014866
N(C(C1CC1)C)C(c1n2CCCCCc2nn1)C	PC-id_43746956	248.367	NTNKWPWOJOATRH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014867
N(CC1CCC1)C(c1n2CCCCCc2nn1)C	PC-id_80485865	248.367	FVTZJBGWBGASSP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-014868
N#Cc1c(NC=[N+](C)C)sc2c1CCCCC2	PC-id_28407209,GD-id_ZINC19854140	248.367	JEIAUYARXNNCFA-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-014869
C#CCCCC(c1cc2c(s1)CCCCC2)O	PC-id_113664850	248.384	UHRRDEDWZACIBC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014870
C=CCCCC(=O)c1cc2c(s1)CCCCC2	PC-id_114974814	248.384	ORASYPMNQHFODQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014872
CCC(=C)CC(=O)c1cc2c(s1)CCCCC2	PC-id_115781236	248.384	OPEQFGZLOYQKKX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014873
CC(=C)CCC(=O)c1cc2c(s1)CCCCC2	PC-id_115802921	248.384	IWLFDHXATUKDSG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014874
O=C(c1cc2c(s1)CCCCC2)C1CCCC1	PC-id_114962316	248.384	DFHHOZGWGGUUES-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-014875
O=C(c1cc2c(s1)CCCCC2)CC1CCC1	PC-id_114974010	248.384	TUTLOKSVWZIPMV-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-014876
O=C(c1cc2c(s1)CCCCC2)CCC1CC1	PC-id_114978248	248.384	AGTMGBYLSPEBDP-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-014877
s1c2c(CCCCC2)cc1C(O)C1=CCCC1	PC-id_55033988	248.384	GSMMGFBUJXOUEZ-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-014878
CC#CCC(c1cc2c(s1)CCCCC2)NN	PC-id_105290536	248.387	LFOLSBJUVVKUJT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014879
C#CCCC(c1cc2c(s1)CCCCC2)NN	PC-id_105307764	248.387	RDWFGHTXRYYTOR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014880
s1c2CCCCC(=CCCC)c2cc1C(=N)N	PC-id_21712673	248.387	ILFAITCCZKXHAL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014881
CC1CCCc2n(C1C)c(C(C)C)c(n2)C(C)C	PC-id_140931311	248.407	DGMHHUWTRNAYQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014882
CC(c1c(nc2n1CC(C)(C)CCC2)C(C)C)C	PC-id_140931301	248.407	PJRMBOHCKISNRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014883
CC(c1c(nc2n1C(C)(C)CCCC2)C(C)C)C	PC-id_140931306	248.407	KOXLCYFJQTUWBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014884
CCCCCCCn1cc2c(c1)CCCCC2N	PC-id_83208295,EMOLS-id_315763864	248.407	ZAFBQYQWDCXLLF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014885
CCCCCCn1cc2c(c1)CCCCC2NC	EMOLS-id_315118897,PC-id_83208892	248.407	NVTJHORHPKAPRO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014886
CCCCCn1cc2c(c1)CCCCC2NCC	EMOLS-id_315764127,PC-id_83208912	248.407	FMAFWZOKTBMELT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014887
CCC(Cn1cc2c(c1)CCCCC2NC)CC	EMOLS-id_315128389,PC-id_83208557	248.407	KKWTXCOGMMZDRK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014888
CCCNC1CCCCc2c1cn(c2)CCCC	EMOLS-id_314972699,PC-id_83213330	248.407	MMFJNKMOFRWZGK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014889
CCCNC1CCCCc2c1cn(c2)CC(C)C	PC-id_83212424,EMOLS-id_314749414	248.407	QMKMEVJUVDTEJZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014890
CCNC1CCCCc2c1cn(c2)CCC(C)C	EMOLS-id_315763871,PC-id_83208668	248.407	WGXPMQFAXFSEGK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014891
Cn1c2CCCCCCCCCCCCc1cn2	PC-id_101754920	248.407	GHLKQZCKQHULER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014892
CNC1CCCCc2c1cn(c2)CCC(C)(C)C	PC-id_83207777,EMOLS-id_315762078	248.407	SYVPLFNXRVGKSW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014893
CNC1CCCCc2c1cn(c2)CCCC(C)C	PC-id_83208645,EMOLS-id_315761310	248.407	ONXQDYDWTBPDMK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014894
CSC(c1ccc(cc2-c1ccc2)C)SC	PC-id_100994301	248.407	YEENBKSFNHYPHS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014895
COc1ccc(cc1)Nc1cccc2-c(c1)ccc2	PC-id_101270414	249.307	RTWRKBKKSYDKOU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-014969
n1(cc2C(NCC)CCCCc2c1)CC(CC)C	PC-id_83207702	248.407	IYCSCCFYDQFPHP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014896
n1(CC(CCC)C)cc2C(NC)CCCCc2c1	PC-id_83208172	248.407	NLRGMPXMUDEINF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014897
n1(N(C)C)c2CCCCCCCCCCc2cc1	PC-id_11096955	248.407	RDBHYSQYQQDZFQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014898
NC1CCCCc2c1cn(c2)CCCC(C)(C)C	PC-id_114209708	248.407	ZMRDSJWILVDOCI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014899
[nH]1nc2CCCCCCCCCCCCCc1c2	PC-id_12420376	248.407	FAZYQAOSLOBQBJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014900
CCCCC(=C)c1c(C)sc2c1CCCCC2	PC-id_142930007	248.427	MRIWPWCIYPCTCT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014901
ClC1=Cc2nc([nH]c2CC(=C1)C(F)(F)F)C	PC-id_142985992	248.632	SIPGTULQPFCWIL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014902
ClC1=C(Cc2c(C=C1)nc([nH]2)C)C(F)(F)F	PC-id_142985985	248.632	NFGWRTYHVWYPAK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014903
c1(cn2c(C(=O)NCCC2)c1)S(=O)(=O)Cl	EMOLS-id_49266907,MCULE-8003861460,PC-id_75525001	248.687	HCRYOQHKHDRXGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014904
Clc1c2-c(c(c(c2)C)C(=O)OCC)cccc1	PC-id_85743030	248.705	XTJVCVRUOFEISF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014905
c1(c(C)nc2CCCCCn12)S(=O)(=O)Cl	PC-id_121605274,EMOLS-id_50279334,MCULE-8183917987	248.73	LOHJJNDWGFWLOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014906
c1(cnc2CCCCCCn12)S(=O)(=O)Cl	MCULE-7734444214,EMOLS-id_106501231	248.73	QNVLESGPGHRTDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014907
Clc1ccc2-c(c([n+](c2C)CCCC)C)cc1	PC-id_12493584	248.771	KXLIGUSUHFXPTJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014908
CC1(C=Cc2c(C=C1)n(c(n2)C#N)S(=O)O)C	PC-id_164090067	249.057	YHSWDLITEFPKDA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014909
BrCC(=O)c1c2-c(cc1)ccccc2	PC-id_10966877	249.103	NDGOYRXUYNVSBL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014910
O=C(c1cc(Br)c2-c1ccccc2)C	CNP0065618,PC-id_9942938	249.103	BMZNJYNWCPSPPE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014911
Brc1sc(c2OCCCOc12)C	PC-id_83668254	249.125	GGJLESVOHKSNTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014912
BrCC1COc2c(OC1)csc2	SCHEMBL10078759,PC-id_68028631	249.125	PMUUOUYBKUSMGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014913
C1CC=C2C=C(NC2=NC1)C#CC3=CC(=CC=C3)N	PC-id_155197908	249.127	ZZOXVBHKZSKUKI-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-014914
CCCC1=C2C(=C(N1)C(=O)OC)CCCCC2=O	PC-id_153617046	249.136	JQWZBQYUEVIWRH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014915
CCCCC1=C2C(=C(N1)C(=O)O)CCCCC2=O	PC-id_153617047	249.136	UDXGJDVXYSCPEO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014916
Brc1c2-c(c(CCC)c1)ccccc2	PC-id_11436595	249.146	KHWXUQKSKSOYDI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014917
Brc1ccc2-c(c(c(c2C)C)C)cc1	PC-id_21063102	249.146	VOFXENBLNHCGIE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014918
Cc1cc(c2-c(c(cc2)Br)c(c1)C)C	PC-id_135058534	249.146	GKMGZMLVXMGJRE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014919
C1CC(=O)NC2=CC(=NN2C1)CC3CCOCC3	PC-id_154021426	249.148	NBTFMNMCDCJJJH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014920
OC(C1CCCCCCc2n(cc1c2)B(O)C)C	PC-id_22081366	249.157	NNPKOBVWKJYORQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014921
C1CCC(CC1)CN1CCc2c(CC1)oc(n2)N	PC-id_163602500	249.184	MHURAEJJHWIKQT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-014922
C1CN(Cc2c(C1O)cco2)C(=O)C(F)(F)F	PC-id_86639226,SCHEMBL2840851	249.187	VJAPWDHWCWSVKA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-014923
CC(C)C1=NC2=C(O1)CC(CCC(C2)(C)C)(C)C	PC-id_155020367	249.209	VAFHJKJKGVVMBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014924
COC(=O)C1(C)C=Cc2c(C=C1)cn(n2)[N+](=O)[O-]	PC-id_143675803	249.223	LCAQVOMFNZQVRQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-014925
Cn1c(c2CNCCCc2n1)OCC(F)(F)F	PC-id_136590252	249.233	NDZUWPYHBYXHPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014926
[O-]C(=O)C1c2n(CCCC1)c(c(c2C(=O)[O-])C)C	PC-id_20484000	249.262	FFUKHLLBALNHNZ-UHFFFAOYSA-L	00000000100000000100000000000010000000000000000000000000	31-01-014927
N#C/C(=CC=Cc1ccc2-c1ccccc2)/C(=O)O	PC-id_102401287	249.264	DOAPYYNHCCTBNE-BOGGDHRQSA-N	00000010100000000110000000000010000000000000000000000000	31-01-014928
o1nc(c2c1c(=O)cccc2)/C=C/c1ccccc1	PC-id_14415380	249.264	MATFSBYFAXCSTJ-ZHACJKMWSA-N	00000000100000110111000000000010000000000000000000000000	31-01-014929
o1nc(c2c1c(=O)cccc2)C=Cc1ccccc1	PC-id_72731140	249.264	MATFSBYFAXCSTJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-014930
c12C(=O)N(CCCn1nc(C(=O)O)c2)CC1CC1	MCULE-2701540974,EMOLS-id_49189825,ZINC22_96516663,PC-id_97619915	249.266	NFRLVEJJBJCTIQ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-014931
C#CCOC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_42946676,PC-id_72053883,MCULE-4181001241,ZINC22_72274597	249.266	VRYRXASCMDUXIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014932
CCOC(=O)CN1C(=O)[C@@H](N)C=Cc2n1ccc2	PC-id_139631496	249.266	KWCWZAZFCVQNMD-JTQLQIEISA-N	00000000100000000111000000000010000000000000000000000000	31-01-014933
CN(/C=C/1CCCc2c(C1=O)[nH]nc2C(=O)O)C	SCHEMBL15377437	249.266	WOCCTGCJQOJHRJ-VOTSOKGWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014934
CN(C=C1CCCc2c(C1=O)[nH]nc2C(=O)O)C	SCHEMBL15377439,PC-id_89895509	249.266	WOCCTGCJQOJHRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014935
o1nc2n(C(CCCC2)CC(=O)CCC#N)c1=O	PC-id_22901415	249.266	YHPCXWMHHWOIBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-014936
O=C(c1ccc2-c1ccccc2)Nc1cccnn1	SCHEMBL7020708,PC-id_69962685	249.267	DUBXSDVSJHBFAH-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-014937
O=C(c1ccc2-c1ccccc2)Nc1nccnc1	SCHEMBL7022703,PC-id_69963153	249.267	XSTRGQGKRCDLOV-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-014938
O=C(Nc1nc2-c(n1)ccccc2)c1ccccc1	PC-id_85672440	249.267	MSDOXPUKPATOBN-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-014939
[O-][n+]1ccc(/N=N/c2c3-c(cc2)ccccc3)cc1	PC-id_85875428	249.267	GIFNFBYXIIKCRP-WUKNDPDISA-N	00000010100000101110000000000010000000000000000000000000	31-01-014940
[O-][n+]1cc(/N=N/c2c3-c(cc2)ccccc3)ccc1	PC-id_85875426	249.267	CJGBAXHFJALMNJ-WUKNDPDISA-N	00000010100000101110000000000010000000000000000000000000	31-01-014941
[O-][n+]1c(/N=N/c2c3-c(cc2)ccccc3)cccc1	PC-id_85875425	249.267	JHMBUIGJPUXRHY-WUKNDPDISA-N	00000010100000101110000000000010000000000000000000000000	31-01-014942
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1COCC1	EMOLS-id_319316279	249.309	ADBNDAHALAHVSF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-014974
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CC[C@H](C1(O)CC1)[C@H]1[C@H](O)CCCn2c1ccc2	PC-id_138984393	249.349	LJBDYZYPZIEQBP-IACUBPJLSA-N	00100000100000000100000000000010000000000000000000000000	31-01-015043
CC(COCCn1cc2c(c1)CCCCC2=O)C	PC-id_113836409	249.349	BSVVVSHESFHWOR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015044
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O1C(CCn2cc3c(CCCCC3O)c2)CCC1	PC-id_83208793	249.349	YDQLONJFYOOLKJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-015047
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OCCCCCCn1cc2c(c1)CCCCC2=O	PC-id_107705750	249.349	QXWQEVGHTJQJMG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015049
CCc1ccc(cc1)Cc1c[nH]c2c1CC=CC=C2	PC-id_142995839	249.35	GBSQZULTCZINHV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-015050
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C1CCc2[nH]nc(CN[C@H]3CCCOC3)c2CC1	ZINC22_584887100	249.352	XYFIZLVBFSGMFG-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-015056
c1(C(=O)NC(C)CC)c2CCCCCCc2[nH]n1	MCULE-8111955681,PC-id_53017395,EMOLS-id_33046578	249.352	CKSPMVOYVWTZSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015057
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CC1(CCCCO1)CN1CCCc2c(C1)c[nH]n2	EMOLS-id_319484597	249.352	LODLTLQWNSIABG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-015059
CC1CCC(O1)CN1CCCc2c(C1)cnn2C	EMOLS-id_102830106	249.352	NMZTUGIIMDPLIQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-015060
CCCC(CN1CCCn2c(C1)cnc2)CCC	PC-id_144865863	249.395	FQAKKXJSXLLACL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015153
CC1CCNCCCc2c(C1=O)n(nc2)C(C)C	PC-id_134602641,SCHEMBL20256978	249.352	GEGSLERBFSZMMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015061
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(C(C)C)C	EMOLS-id_319250788	249.352	VXBFUTBUEXYNLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015062
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(C)(C)C	EMOLS-id_319741466	249.352	ZFSNNWVODNLCOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015063
CC1CN(CCC2CCCO2)Cc2c(C1)[nH]nc2	EMOLS-id_318819651	249.352	AGMRKVWKZFWTDX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-015064
CC1CN(CCC2COCC2)Cc2c(C1)[nH]nc2	EMOLS-id_320040096,MCULE-5621697717	249.352	MJCHXVYRRIPFCX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-015065
CC1CN(CCC2(O)CCC2)Cc2c(C1)[nH]nc2	EMOLS-id_319094639	249.352	CEUOTXLHTOLZFI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-015066
CC1CN(CCOC2CCC2)Cc2c(C1)[nH]nc2	EMOLS-id_319048701	249.352	WBHRRTUKSQWAAZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-015067
CC1CN(CCOCC2CC2)Cc2c(C1)[nH]nc2	EMOLS-id_319826085,MCULE-1579467733	249.352	UEIDVBUYEZKASF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-015068
Cc1nn(c2c1CCCNCCCC2=O)C(C)C	SCHEMBL19928409,PC-id_134308865	249.352	RUHVICIJJPIVNH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015069
CCc1n[nH]c2c1CN(CCC2)C(=O)C(C)(C)C	PC-id_118493339,SCHEMBL17234776	249.352	QRQOTOQHKXEQDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015070
CCc1n[nH]c2c1CN(CCC2)C(=O)CC(C)C	PC-id_138592645,SCHEMBL20952900	249.352	MWBHBEMYEILCGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015071
C=CCCC(CN1CC(C)Cc2c(C1)cn[nH]2)O	MCULE-4452041503,EMOLS-id_319994954	249.352	AWAWUCIQOLOZSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015072
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CCCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319321776	249.352	BHWOIGMSSZKXLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015076
CC(CCC(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	MCULE-1922856702,EMOLS-id_320088715	249.352	OEWSIFMZVPOLBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015077
CC(C)(C)n1c2c(CCCNCCCC2=O)cn1	SCHEMBL19928387,PC-id_134308846	249.352	NNCPIBXXICGUJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015078
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CCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)(C)C	EMOLS-id_318864797	249.352	AJBVRJBIZJRXBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015080
CC[C@H](NC(=O)c1n[nH]c2c1CCCCCC2)C	PC-id_97046544	249.352	CKSPMVOYVWTZSQ-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015081
CC[C@@H](NC(=O)c1n[nH]c2c1CCCCCC2)C	PC-id_97046545	249.352	CKSPMVOYVWTZSQ-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-015082
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CCNC1CCCCc2c1cn(c2)CC(=O)NC	PC-id_83212414,EMOLS-id_315767952	249.352	ZZOHYACPBVPWRH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015088
CCN(C(=O)c1cc2n(c1)CCN(CC2)C)CC	SCHEMBL18372195	249.352	YJZSBMMVLDPZRE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015089
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CCN(C(=O)Cn1cc2c(c1)CCCCC2N)C	EMOLS-id_314729158,PC-id_83207752	249.352	JWNZEEATMCQOCF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015091
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CNC1CCCCc2c1cn(c2)CC(=O)N(C)C	EMOLS-id_314995229,PC-id_83207965	249.352	SUJBAXBHLQNJSP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015098
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c1(C(C)N2CCNCC2)nnc2CCCCCn12	PC-id_62310052,MCULE-5446394710	249.355	PCHNWISWBPYPEU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-015112
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C[C@@H](CCC1CC1)N[C@H]1CCc2nnnn2CC1	ZINC22_333588780	249.355	UYNXJUHOCLRVOL-JQWIXIFHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-015122
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NC(c1cc2c(s1)CCCCC2)C1=CCCO1	PC-id_113720962	249.372	FGBJJIXIJGEHDV-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-015140
O=C(NC1CC1)c1cc2c(s1)CCCCCC2	MCULE-5884354781,CoCoCo_3361144,PC-id_9210076,EMOLS-id_43416995,ZINC22_8077184	249.372	XLVSXRRXXUMVQL-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-015141
s1c2c(CCCCCC2)cc1C(=O)N1CCC1	PC-id_60520241	249.372	CHVXRNMOZREGFZ-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-015142
[NH+]1(CCCC1)CCCc1n2CCCCCc2nn1	PC-id_52423764	249.375	DTKAFFLWLGBZOW-UHFFFAOYSA-O	00000010100000000101000000000010000000000000000000000000	31-01-015143
s1c2c(CCCCC2)cc1/C(=N/C1CC1)/NN	PC-id_61362704	249.375	CWFJJRSLDRBIFS-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-015144
C1CCCCCCc2c(CCCCCC1)nco2	SCHEMBL2943805,PC-id_68452176	249.392	LUJNJZLQKOQEOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015145
CCCCCCCn1cc2c(c1)CCCCC2O	PC-id_83209162,EMOLS-id_314915507	249.392	LIMGZOYVHCUSTC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015146
OC1CCCCc2c1cn(c2)CCCC(C)(C)C	PC-id_114209692	249.392	KGEOGCHLSYZSFH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015147
CC(C1CCc2nnn(c2CCC1C)C(C)C)C	SCHEMBL19147027	249.395	ZGNQGKQOVPFEKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015148
CC(C1CCCCc2c1nnn2C(C)(C)C)(C)C	SCHEMBL20230547,PC-id_134578920	249.395	BMQUVOOBJNZVGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015149
CC(C1CCCCCc2c1nnn2C(C)(C)C)C	SCHEMBL18807022	249.395	OBTKRIKIJKXAFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015150
CCC1(C)CCCCCCc2c(CC1)nnn2C	SCHEMBL19387268	249.395	MMBMOUXVPSDDLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015151
CC(CC1CCCCc2c(C1)nnn2C(C)C)C	PC-id_139439855,SCHEMBL21302157	249.395	HXOQEQQMEAOVCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015152
S(Cc1ccc2-c(cc1)ccc2)c1ccccc1	PC-id_13545274	250.358	OPSCOOUNKHMZOM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-015431
CCCNC1CCCCc2c1cnn2C(C)(C)C	PC-id_107384299	249.395	ZOEVDTYLXXNANW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015154
CCCNC1CCCCc2c1cnn2CCCC	PC-id_107384404	249.395	HYQOCKHXTZYCMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015155
CCCNC1CCCCc2c1cnn2C(CC)C	PC-id_107384407	249.395	DMPLCAWTWFHFAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015156
CCCNC1CCCCc2c1cnn2CC(C)C	PC-id_113952777	249.395	XWYUEOCDEYOLAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015157
CC(n1nnc2c1CCCC(CC2)C(C)(C)C)C	SCHEMBL17480771,PC-id_118696751	249.395	GGSYKRXJOQUICK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015158
CCNC1CCCCc2c1cn(c2)CCN(C)C	PC-id_83208484,EMOLS-id_260518602	249.395	ZDKOLZKGDRJUFE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015159
CCNC1CCCCc2c1cnn2CCC(C)C	PC-id_107384415	249.395	JWKYVSCLQCBNFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015160
CCNC1CCCCc2c1cnn2C(CC)CC	PC-id_113952786	249.395	JYCRAJQFBSLAGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015161
CCNc1[nH]nc2c1CCCCCCCCCC2	EMOLS-id_314203115,PC-id_55225428	249.395	BIEJUDBSTLBRIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015162
CCN(CCn1cc2c(c1)CCCCC2N)CC	PC-id_83208705,EMOLS-id_315118641	249.395	YTJYOHXASWSXPS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015163
CNC1CCCCc2c1cn(c2)CCCN(C)C	EMOLS-id_315965897,PC-id_113596178	249.395	ULPXCGMYHYTFQN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015164
CNCc1[nH]c2c(n1)CCCCCCCCCC2	PC-id_63927585,EMOLS-id_314853295	249.395	WCQVSCGJRBDWTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015165
C1CCc2c(CC1)cc(s2)CNC1CCCC1	EMOLS-id_37993754,PC-id_54884431	249.415	FZHSVUPLZPIANW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-015166
C1CCN(CC1)C[C@H]1CCCCc2c1ccs2	SCHEMBL18723616	249.415	PCDUQRIKIBNYLA-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-015167
C1CCN(CC1)C[C@@H]1CCCCc2c1ccs2	SCHEMBL18723777	249.415	PCDUQRIKIBNYLA-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-015168
Cc1c[n+]2c(n1CCCCCCCCCCC2)C	PC-id_101362800	249.415	AAAPWDIUQDMJKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015169
C=CCC(c1cc2c(s1)CCCCC2)NCC	PC-id_113663149	249.415	KJQYUYNTWBDHPL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015170
C=CCCC(c1cc2c(s1)CCCCC2)NC	PC-id_104987613	249.415	QSFFDUIMVZNGFB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015171
C=CCCCC(c1cc2c(s1)CCCCC2)N	PC-id_104987148	249.415	SQRATIRUIODDIX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015172
CCC(=C)CC(c1cc2c(s1)CCCCC2)N	PC-id_105006203	249.415	BDALRMIJLYRBTH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015173
CC(=C)CCC(c1cc2c(s1)CCCCC2)N	PC-id_105039763	249.415	STYMEPFXYVPAIF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015174
CCCNC(c1cc2c(s1)CCCCC2)C=C	PC-id_105000741	249.415	LGMJYEUEEKPGKB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015175
CCNC(c1cc2c(s1)CCCCC2)C1CC1	PC-id_104994049	249.415	MLZGWFQRRVFSAH-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-015176
CCNC(c1cc2c(s1)CCCCC2)C(=C)C	PC-id_105005038	249.415	BJAXAZHWGPKKQP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015177
CNC(c1cc2c(s1)CCCCC2)C1CCC1	PC-id_105049533	249.415	ZVNRLLXNFWKBAB-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-015178
CNC(c1cc2c(s1)CCCCC2)CC1CC1	PC-id_104986496	249.415	GLPOWUGEUYXVKI-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-015179
CNC(c1cc2c(s1)CCCCC2)CC(=C)C	PC-id_105004176	249.415	GXIFNJUEWSBNAO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015180
CNC(c1cc2c(s1)CCCCC2)C=C(C)C	PC-id_113670225	249.415	WRQLNBMLGLMPNX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015181
NC(c1cc2c(s1)CCCCC2)C1CCCC1	PC-id_113658708	249.415	KEAFJAHCPBRHOB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-015182
NC(c1cc2c(s1)CCCCC2)CC1CCC1	PC-id_113668373	249.415	VKNSAJYDOOLMJX-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-015183
NC(c1cc2c(s1)CCCCC2)CCC1CC1	PC-id_104995238	249.415	ISKZALGKEUSQMJ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-015184
Brc1nc2n(CCCCC2)c1Cl	PC-id_84707043	249.535	SHEALXHZAMWRAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015185
ClC(C(=O)c1c2-c(n(c1=O)C)ccccc2)C	PC-id_85517843	249.693	RGZYHGNTUZHKJP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015186
ClS(=O)(=O)Cc1c2c(CCCCC2)on1	PC-id_137698804,EMOLS-id_259608018,MCULE-7200488635	249.714	FSPIPBLXXZZTKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015187
ClCS(=O)(=O)N1CCCc2c(C1)cn[nH]2	MCULE-6401235337	249.718	SKFQNQHIOWFAHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015188
ClC1=CCc2c(C=C1)n(nc2CNC1CC1)C	SCHEMBL18508721	249.739	WLZYWHLWZQIZKB-UHFFFAOYSA-N	00100000100000000111000000000010000000000000000000000000	31-01-015189
CCCC(c1c[nH]c2c1C=C(Cl)CC=C2)CC	PC-id_143396111	249.779	RHMAKDWGHWGHIC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-015190
CC(C)C1=CC2=CC=CC=CC2=C1S(=O)(=O)O	PC-id_153725798	250.066	XUOHWSOBJJTUBT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015191
CC(C)OS(=O)(=O)C1=C2C=CC=CC=C2C=C1	PC-id_154190789	250.066	XPHJYMIUOKMPLC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015192
S(c1n2CCCCCc2nn1)C[B-](F)(F)F	PC-id_63703671	250.072	RPMCOIYPGLUMNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015193
CC(=O)c1c(Br)nc2-c1ccccc2	PC-id_101545512	250.091	MUUWSPCBPQSOCH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015194
CC1(CNC=C(C2=C1C=C(N2)C(=O)O)C(=O)O)C	PC-id_152771361	250.095	PJODBMUNNNUOLZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-015195
C1=CC=CC=CC=CC2=NON=C2C=CC=CC=C1	PC-id_153854132	250.111	NUILSKKWIYTZDC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-015196
CC1=CC=C(C=C1)CN2C3=CC=CC=CC3=NC2=O	PC-id_165348380	250.111	PQYJROBYWLUMET-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-015197
COC1=CC=C(C=C1)CC2=NC3=CC=CC=CC3=N2	PC-id_154177770	250.111	BSMVKSACLFITIH-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-015198
Brc1sc(c2c1OCCCO2)N	PC-id_98771119	250.113	OGVXMHSELFOIKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015199
Brc1ccc2-c(c(c(N)c2C)C)cc1	PC-id_21063103	250.134	WCUZCUGJBFLHGZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015200
CCC1(C)C=CC(C)(C)C=c2c(=C1)sob2O	PC-id_143267077	250.165	JNHDYGKZBRYHAC-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-015201
C1CCC2=CC(=NN2CC1)COC3CCCCO3	PC-id_155019613	250.168	ULFMHBLVNUBUBK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-015202
CC(=O)NCCCN1C2=C(CCCCCC2)N=N1	PC-id_155186756	250.179	NDYVQZTWPUJDBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015203
O=C1C=C(C(=O)N)C(=O)Oc2c(O1)c(C)n(c2)C	PC-id_141172947	250.207	UEPDGIMWYFPVEX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-015204
O=C1NCC=C(c2c1[nH]cc2)C(C(=O)O)C(=O)O	PC-id_15687117	250.208	FYZJCYFWYKZNLH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-015205
FC(F)(F)C(=CC=O)c1c2-c(cc1)ccccc2	PC-id_54176240	250.216	OYOJVMVWNRZODC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015206
FC(F)(F)/C(=C/C=O)/c1c2-c(cc1)ccccc2	SCHEMBL9244918,PC-id_11096983	250.216	OYOJVMVWNRZODC-MDWZMJQESA-N	00000010100000000110000000000010000000000000000000000000	31-01-015207
OC1C(N)CCn2c(N1C)cc(n2)C(F)(F)F	SCHEMBL19641635	250.221	RAUODRRKFODIQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015208
O=c1nc2-c(n1CC1CC(C1)(F)F)ccccc2	EMOLS-id_318922379	250.244	XJWQYCQAGSRSSI-UHFFFAOYSA-N	00001010100000000111000000000010000000000000000000000000	31-01-015209
O=c1oc2-c(c1C(=O)c1ccccc1)ccccc2	PC-id_139790791	250.249	ZSDTZHNTZWEQMB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-015210
CC1(CN=CC(c2c1cc([nH]2)C(=O)O)C(=O)O)C	PC-id_91081732	250.251	OIOLOLKVNBHJJF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-015211
CN(C=C1CCCc2c(C1=O)noc2C(=O)O)C	PC-id_88925111,SCHEMBL12499170	250.251	BKNQQHGGPMVYPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015212
CN(/C=C/1CCCc2c(C1=O)noc2C(=O)O)C	SCHEMBL12499167	250.251	BKNQQHGGPMVYPO-VOTSOKGWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015213
CN(C=C1CCCc2c(C1=O)onc2C(=O)O)C	PC-id_89895669,SCHEMBL15377658	250.251	GDWHJUZRWLRBAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015214
CN(/C=C/1CCCc2c(C1=O)onc2C(=O)O)C	SCHEMBL15377655	250.251	GDWHJUZRWLRBAV-VOTSOKGWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015215
O=C1CC(CCc2[nH]cc(c12)C(=O)C)C[N+](=O)[O-]	PC-id_20762206	250.251	ZMYIMVOZRDJFJZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015216
O=C(c1ccc2-c1ccccc2)Oc1ncccn1	SCHEMBL7148688,PC-id_70004423	250.252	ZFGRUMZHEXQXJM-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-015217
CN1C(=O)C(CCn2c1cc(n2)C=C)NC(=O)O	SCHEMBL19641557	250.254	XEBDAESRLFRITE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015218
O=C1c2n(CCCCC(=O)O)cnc2NC=NC1	PC-id_10516309	250.254	SVUFDZUARAGENR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-015219
O=C1c2ncn(CCCCC(=O)O)c2NC=NC1	PC-id_10778550	250.254	UQSKRVXZRMMBDE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-015220
O=c1[nH]c(=O)c(=O)[nH]c2c(nn(c12)CC)CCC	PC-id_11322653	250.254	YJKZONONDQQIOI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-015221
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCc2n[nH]cc2C1	EMOLS-id_316182616,MCULE-7977485722,ZINC22_952893000	250.254	QSQMJEUFXRFPHZ-PSASIEDQSA-N	00100000100000000101000000000010000000000000000000000000	31-01-015222
c1ccc2-c(nnc2C(=O)Nc2ccccn2)cc1	PC-id_91174957	250.255	MLRHDSTYHIYUDZ-UHFFFAOYSA-N	00000010100000101111000000000010000000000000000000000000	31-01-015223
c1ccc2-c(nnc2C(=O)Nc2ccncc2)cc1	PC-id_91203714	250.255	HXNCGOACOPHBKW-UHFFFAOYSA-N	00000010100000101111000000000010000000000000000000000000	31-01-015224
Nc1ccc(cc1)C(=O)c1nnc2-c1ccncc2	PC-id_140984147	250.255	SIFQZHWBFUMZDF-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-015225
Brc1c(c2-c(c1)ccccc2)CCO	PC-id_85856823	251.119	NYVCYENNBCSYSR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015551
[O-]N1CC=CC=C1N=Nc1ccc2-c1ccccc2	PC-id_101244824	250.275	UOBYMDHOAMRRKH-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-015226
s1c2CCCCC(=O)Nc2c(c1)C(=O)N=[N+]=[N-]	PC-id_71442677	250.277	PWJVVOWQPYWPSO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015227
O=c1ccccc2c1oc(c2)CCc1ccccc1	PC-id_101994744	250.292	BKSOICGXEUFTHR-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-015228
c1(C(=O)N2CCOCC2)c2CCCCCc2on1	CHEMBL1308746,ChEMBL-DNDi_CHEMBL1308746,PC-id_3236660,MCULE-4817679312,TIMTEC535368,EMOLS-id_6678508,ZINC22_426551	250.294	WVBIFKJVEJLTDX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-015229
CCn1c(COC(=O)C)nc2c1CCCCC2=O	SCHEMBL17895744,PC-id_121457922	250.294	NVLKAOVFRAWWPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015230
CCOC(=O)c1c(C)[nH]c2c1CCC(C)NC2=O	EMOLS-id_336564755	250.294	SYJPYPKRUDMCRX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015231
CCOC(=O)c1[nH]c(C)c2c1CCC(C)NC2=O	EMOLS-id_336565011	250.294	GSZXOLDNYZKWJP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015232
CNC1C(=O)N(CCc2c1occ2)CC1CCO1	SCHEMBL14171352,PC-id_23554576	250.294	BREVWUSPODSRCY-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-015233
CNC1C(=O)N(CCc2c1occ2)CC1COC1	SCHEMBL14171375,PC-id_23554580	250.294	BPVYPEDOXQAMTN-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-015234
COC1CN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100991278	250.294	ZRMCANJSPSUIEJ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-015235
o1n(c2CCCCCc2c1=O)C(=O)N1CCCC1	PC-id_22946392	250.294	BCDWJZPBPWYGOS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-015236
O=C1CC(CCc2[nH]cc(c12)C(=O)O)CN(C)C	PC-id_22563922	250.294	DRNUVYVTLHHORS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015237
OCC1CN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_101041843	250.294	AVGRVILBUGPAIY-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-015238
O=C(c1noc2c1CCCCC2)N1CC(C1)(C)O	EMOLS-id_102665073	250.294	SGOROBNOJRALMH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-015239
O=C(c1noc2c1CCCCC2)N1CCCCO1	EMOLS-id_102811839	250.294	QKZOPZPKZWYFSR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-015240
O=C(c1noc2c1CCCCC2)N1CCCOC1	EMOLS-id_102839918	250.294	TZLULYORSOWVGK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-015241
O[C@H]1CCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102818691	250.294	CIPCRQTZLPRFQZ-VIFPVBQESA-N	00000010100000000101000000000010000000000000000000000000	31-01-015242
O=C(N1CCCc2c(C1)cco2)N1CCOCC1	EMOLS-id_102303636	250.294	ICWJRMWECNVXGO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-015243
Cc1ccc(cc1)Nn1c(=O)cc2-c1ccccc2	PC-id_101621712	250.295	SSCXLEIMXOHFAI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-015244
O=C1NCCCn2c1cc(c2)C#Cc1ccccc1	PC-id_71117596,SCHEMBL14249035	250.295	YKPKYCCJJMDGBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-015245
OCc1cn(c2=C=CC=CC=c12)Cc1cccnc1	PC-id_144978885	250.295	NRMNGDYMMCKGQD-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-015246
c12n(C)nc(CC)c1NC(=O)C(CC)N(C)C2=O	EMOLS-id_177490110,PC-id_122570481,MCULE-8236295563	250.297	RSUKPYFITZLNDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015247
c1(C(=O)N2CCOCC2)cc2n(CCCNC2)n1	ZINC22_67935419,PC-id_56720753,EMOLS-id_36462015,MCULE-1153795125	250.297	YRBROLVOKHSRRB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-015248
c1(C(=O)NC2COCC2)cn2c(CCNCC2)n1	MCULE-3634507106,EMOLS-id_331115560	250.297	YNDQQEZJDZDLML-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-015249
c1(C(=O)NCC)cn2c(CCN(C(=O)C)CC2)n1	MCULE-8533690890,EMOLS-id_331132196,ZINC22_1875245475	250.297	BEPONXHXRQWNKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015250
c1(C(=O)N(C)C)cn2c(CCN(C(=O)C)CC2)n1	ZINC22_2100483033,EMOLS-id_337699770,MCULE-9562250775	250.297	NLWMMKLUZDOILY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015251
CC1CCC(O1)C(=O)N1CCCn2c(C1)cnn2	EMOLS-id_318824330	250.297	CNRZWGYXFZFVKM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-015252
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CNC(=O)C	EMOLS-id_319003690	250.297	CMOFIWIOSQFFIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015253
CCc1nn(C)c2c1NC(=O)[C@@H](CC)N(C)C2=O	ZINC22_534667011	250.297	RSUKPYFITZLNDP-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015254
CCc1nn(C)c2c1NC(=O)[C@H](CC)N(C)C2=O	ZINC22_534667012	250.297	RSUKPYFITZLNDP-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015255
CCCCc1nc2c(n1C)C(=O)N(CC(=O)N2)C	PC-id_141815963	250.297	DPYHGBWMANELNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015256
CCCCNC(=O)c1cc2n(n1)CCCNC2=O	PC-id_112708018	250.297	ZQTQNCFHGQOOSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015257
Cn1ncc2c1CCCN(C(=O)C1(O)CNC1)C2	ZINC22_952892683,MCULE-7301519231,EMOLS-id_316166488	250.297	BRSZPJBXCJCTPI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-015258
O=C1C(N)CCn2c(N1C)cc(n2)CC1COC1	SCHEMBL18365814	250.297	KOTSKNNKPZWEGE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-015259
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OCc1ncn2c1CN(CCC2)C(=O)NC1CC1	PC-id_97413665	250.297	ORBUMGDVNGTSSS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-015261
OCCCCCCn1c2c(nc1)NC=NCC2=O	PC-id_10824574	250.297	VSZAEDKVWJDEKP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-015262
OCCCCCCn1c2NC=NCC(=O)c2nc1	PC-id_10514827	250.297	KLGZTOSRKTYNIY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-015263
O(C(C)(C)C)C(=O)N1CC(c2[nH]cnc2N=C1)C	PC-id_57859684,SCHEMBL13697307	250.297	IQXTVFNVXXVPPQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-015264
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O=C([C@@H]1CNCc2ccnn2C1)N1CCOCC1	ZINC22_306140274	250.297	UOPVDLGXKMHCIX-SNVBAGLBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-015266
O=C(N1CCn2c(C=C1)cc(n2)N)OC(C)(C)C	PC-id_138671258,SCHEMBL21041634	250.297	BMKHYGWQQPWYOC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-015267
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CCc1c(C)c2-c(c1S(=O)(=O)O)ccccc2	PC-id_13488772,SCHEMBL10806770	250.313	ASPOZXHAVRKMJA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015270
CC(c1cccc2-c(c1)c(cc2)S(=O)(=O)O)C	PC-id_15602628,SCHEMBL7792242	250.313	HOCRLVXEJKYABH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015271
CC(c1cccc2-c(c1)ccc2S(=O)(=O)O)C	SCHEMBL10806000,PC-id_13559081	250.313	PDDCVQJUFDCEJZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015272
CCCc1cc(c2-c1ccccc2)S(=O)(=O)O	PC-id_10377430,SCHEMBL10805333	250.313	UBYDVNOUPZBYGU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015273
OS(=O)Oc1ccc2-c1cc(ccc2)C(C)C	PC-id_139330318	250.313	WXIYAHZUBPXZOG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015274
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S(=O)(c1c2-c(cccc(c2)C(C)C)oc1=O)C	PC-id_24798917	250.313	HZHCWOHUYDUCBA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015276
S(=O)(=O)(O)c1c2-c(c(C(C)C)c1)ccccc2	PC-id_10399860	250.313	JJZBXECQFHAAIC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015277
c1(NC(=O)OC)sc2c(CCCCC2)c1C#N	TIMTEC327715,ZINC22_5526232,CoCoCo_6803329,MCULE-8807081908,PC-id_3649250,EMOLS-id_3969453	250.317	NDDUMFPYRZDPBD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015278
O=c1sc2c(n1Cc1ccon1)CCCCC2	PC-id_72003383,MCULE-9634223925,EMOLS-id_316806210,ZINC22_98012989	250.317	NTFVSXQNFLQWQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015279
c12CN(CCCn1nc(C#N)c2)C(=O)CSC	ZINC22_584904189,MCULE-2201751233,EMOLS-id_177512020	250.32	ZJJOEEIVZAMAKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015280
O=c1[nH]nc2n1CCN(CC2)Cc1ccsc1	PC-id_110197896	250.32	DAZOFZXZHXUXFF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-015281
O=c1sccn1Cc1nnc2n1CCCCC2	MCULE-9444528095,EMOLS-id_99761513	250.32	MPVZRBNLBXCJLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015282
c1n[nH]c(SCc2nnc3n2CCCCC3)n1	CoCoCo_5871735,ZINC22_32637871,CoCoCo_5871736,PC-id_24001532,CoCoCo_5871734,EMOLS-id_32184694,MCULE-3436838286	250.323	XGOZCNMFDLFZKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015283
S(c1n2CCCCCc2nn1)c1c([nH]nc1)N	PC-id_78969103	250.323	IGXKCOPBOMWQOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015284
COCO[C@H]1/C=CCCCc2oc(CC1)cc2C	PC-id_101625714	250.333	PIYVNSBFOUOIFT-AGLBCWCQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-015285
COCO[C@H]1/C=CCCCc2oc(CC1)c(C)c2	CoCoCo_5725116	250.333	LFFNVBCSKXQBKU-AGLBCWCQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-015286
COCO[C@@H]1/C=CCCCc2oc(CC1)c(C)c2	CoCoCo_5725117	250.333	LFFNVBCSKXQBKU-RYWCDNDXSA-N	00000000100000000110000000000010000000000000000000000000	31-01-015287
COCO[C@@H]1/C=C/CCCc2oc(CC1)c(C)c2	CoCoCo_5725118	250.333	LFFNVBCSKXQBKU-DIECRNLCSA-N	00000000100000000110000000000010000000000000000000000000	31-01-015288
COCO[C@H]1/C=C/CCCc2oc(CC1)c(C)c2	CoCoCo_5725119,NSC659812	250.333	LFFNVBCSKXQBKU-BPJJOFIESA-N	00000000100000000110000000000010000000000000000000000000	31-01-015289
COCO[C@H]1/C=CCCCCc2oc(C1)cc2C	CoCoCo_5723655	250.333	SDRSFTOWEYDHAW-VGVVRCBHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-015290
COCO[C@H]1/C=C/CCCCc2oc(C1)cc2C	CoCoCo_5723656	250.333	SDRSFTOWEYDHAW-IYNGYCSASA-N	00000000100000000110000000000010000000000000000000000000	31-01-015291
COCO[C@@H]1/C=CCCCCc2oc(C1)cc2C	CoCoCo_5723657	250.333	SDRSFTOWEYDHAW-SCXUMTSISA-N	00000000100000000110000000000010000000000000000000000000	31-01-015292
COCO[C@@H]1/C=C/CCCCc2oc(C1)cc2C	NSC658887,CoCoCo_5723654	250.333	SDRSFTOWEYDHAW-VUDGCMKMSA-N	00000000100000000110000000000010000000000000000000000000	31-01-015293
o1c2CCCCC=CC(OCOC)Cc1cc2C	PC-id_377437	250.333	SDRSFTOWEYDHAW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-015294
o1c2CCCC/C=C/C(OCOC)Cc1cc2C	PC-id_5467770	250.333	SDRSFTOWEYDHAW-FNORWQNLSA-N	00000000100000000110000000000010000000000000000000000000	31-01-015295
o1c2CCC(C(=O)CC[C@@](O)(c(c2C)c1)C)(C)C	PC-id_11736815	250.333	PSPCWVARFQOSAJ-OAHLLOKOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015296
o1c2CCC(C(=O)CCC(O)(c(c2C)c1)C)(C)C	PC-id_17747806	250.333	PSPCWVARFQOSAJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015297
o1c2CCC(OCOC)C=CCCCc1cc2C	PC-id_378079	250.333	LFFNVBCSKXQBKU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-015298
o1c2CCC(OCOC)/C=C/CCCc1cc2C	PC-id_5467892	250.333	LFFNVBCSKXQBKU-GQCTYLIASA-N	00000000100000000110000000000010000000000000000000000000	31-01-015299
c12OCCCC(=O)c1c(nn2C(C)(C)C)CCC	MCULE-1130743410,EMOLS-id_320450835	250.337	CWMLIBWCMWNRFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015300
c12OCCCC(=O)c1c(nn2C(C)(C)C)C(C)C	MCULE-6940124984,EMOLS-id_320452880	250.337	POXDJTVNQJHCLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015301
CCc1nn2CCCCCCCCc2c1C(=O)O	EMOLS-id_337769765	250.337	GTXBLQICPCYUHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015302
CC(C)(C)c1nn2CCCCCCc2c1C(=O)O	EMOLS-id_337768742	250.337	BKPYOXIROWBKLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015303
CC(C(C)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111824458	250.337	LRRRKKPSGMZKRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015304
CCCCN(C(=O)c1noc2c1CCCCC2)C	PC-id_45106642,CoCoCo_2401394	250.337	NSIJWFIJNCQXTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015305
CCCC(=O)N1Cc2cccn2C[C@@H](OCC)C1	ZINC22_575406875	250.337	WRCLSZVURBRTDC-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015306
CCCC(=O)N1Cc2cccn2C[C@H](OCC)C1	ZINC22_575406876	250.337	WRCLSZVURBRTDC-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015307
CCCC(=O)N1CC(Cn2cccc2C1)OCC	EMOLS-id_55751911	250.337	WRCLSZVURBRTDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015308
CCC(NC(=O)c1noc2c1CCCCC2)(C)C	EMOLS-id_111824419	250.337	SEGUUVXBIDEOQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015309
CCCNC(=O)Cn1cc2c(c1)CCCCC2O	PC-id_83208458,EMOLS-id_315762334	250.337	YAZNYVNZSMZCEW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015310
CCNC1CCCCc2c1cn(c2)CC(=O)OC	EMOLS-id_315103768,PC-id_83208359	250.337	SDWGBKRXVOJIJS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015311
CCNC(=O)CCn1cc2c(c1)CCCCC2O	PC-id_83208961,EMOLS-id_315761309	250.337	UQIZEFDKICMVRL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015312
CC(NC(=O)Cn1cc2c(c1)CCCCC2O)C	EMOLS-id_315152768,PC-id_83208628	250.337	ZBSLNGLQXXJQAZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015313
CCN(C(=O)Cn1cc2c(c1)CCCCC2O)C	EMOLS-id_315763868,PC-id_83208546	250.337	IDKIMISUDPRZJH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015314
CCOC1CN(Cc2cccn2C1)C(=O)C(C)C	EMOLS-id_55751709	250.337	LUGYGOMIDVXERU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015315
CCO[C@H]1CN(C(=O)C(C)C)Cc2cccn2C1	ZINC22_575406003	250.337	LUGYGOMIDVXERU-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015316
CCO[C@@H]1CN(C(=O)C(C)C)Cc2cccn2C1	ZINC22_575406011	250.337	LUGYGOMIDVXERU-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015317
CCOC(=O)Cn1cc2c(c1)CCCCC2NC	EMOLS-id_314752741,PC-id_83208723	250.337	PCKFNJQEBQOHMZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015318
CC(OC(=O)Cn1cc2c(c1)CCCCC2N)C	PC-id_83207946,EMOLS-id_315150976	250.337	RMXSDCFAULRRLU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015319
CNC1C(=O)N(CCc2c1occ2)C(CC)(C)C	PC-id_23554694,SCHEMBL14171296	250.337	VZYJJTACJKCUOZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015320
CNC1C(=O)N(CCc2c1occ2)CC(C)(C)C	SCHEMBL14171284,PC-id_23555083	250.337	BEMQSFOHPBWPFZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015321
CNC(=O)CCCn1cc2c(c1)CCCCC2O	EMOLS-id_315761054,PC-id_83208062	250.337	XEASCYZHHHCJGG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015322
CN(C(=O)CCn1cc2c(c1)CCCCC2O)C	PC-id_83207971,EMOLS-id_260884916	250.337	KVIOGPMRGZRIAR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015323
COC1CN(Cc2cccn2C1)C(=O)CC(C)C	EMOLS-id_55752105	250.337	YGAPQSKVXDQSGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015324
CO[C@H]1CN(C(=O)CC(C)C)Cc2cccn2C1	ZINC22_575406927	250.337	YGAPQSKVXDQSGA-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015325
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COC(=O)CCCn1cc2c(c1)CCCCC2N	EMOLS-id_315121465,PC-id_83208422	250.337	SECCLSQTRBPQHB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015327
COC(=O)CCn1cc2c(c1)CCCCC2NC	EMOLS-id_314725330,PC-id_83208647	250.337	XFUXJIWMNQDNGR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015328
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o1nc2n(C(CCCC2)CC=CCC(C)C)c1=O	PC-id_59974990	250.337	CEPDGTXDUMNPTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015330
o1nc2n([C@H](CCCC2)CC=CCC(C)C)c1=O	PC-id_59072743	250.337	CEPDGTXDUMNPTE-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015331
o1nc2n([C@H](CCCC2)C/C=C/CC(C)C)c1=O	PC-id_59072769	250.337	CEPDGTXDUMNPTE-PCAWENJQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015332
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O(C(=O)c1n(c2CCN(CCc2c1)CC)C)CC	PC-id_20481332	250.337	YZZRXIOEMRHHKO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015334
O(C(=O)c1nn(c2C(CCCCCc12)C)C)CC	PC-id_59551052	250.337	IQGYVJULPQTLDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015335
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C#CCNCCSc1nnc2n1CCCCC2	PC-id_55091931,EMOLS-id_39187911	250.363	NNRJEDLPVPIIND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015451
CNC1=CC(=CC(C(n2c1nc(=S)[nH]2)C)C)C	PC-id_145617640	250.363	BXTJUPRZRCIVRR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-015452
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CC(c1cnc2n1CC(C)(CCCC2)C(O)C)C	SCHEMBL18464429	250.38	QMAUJVHPBQTYEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015455
CCCCOCCn1cc2c(c1)CCCCC2N	PC-id_83209058,EMOLS-id_315761052	250.38	DWBHSOIWGAZORH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015456
CCCNC1CCCCc2c1cn(c2)CCCO	EMOLS-id_315766417,PC-id_83212921	250.38	FKWZPAJLBZIUGL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015457
CCCNC1CCCCc2c1cn(c2)CCOC	EMOLS-id_315766929,PC-id_83212673	250.38	JYHOPWAVIQMZAY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015458
CCCOCCn1cc2c(c1)CCCCC2NC	PC-id_106455367	250.38	BBGNVKWSHYRJRS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015459
CC(COCCn1cc2c(c1)CCCCC2N)C	PC-id_113836439	250.38	YOUULESFLJAVPZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015460
CCNC1CCCCc2c1cn(c2)CCC(O)C	PC-id_104318947	250.38	UGCIRBCQTKILFX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015461
CCNC1CCCCc2c1cn(c2)CC(CO)C	PC-id_116493752	250.38	UOISZWFGWXFGMW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015462
CCNC1CCCCc2c1cn(c2)CC(OC)C	PC-id_104168678	250.38	AWXVWRBYTHVFPO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015463
CCN(CCn1cc2c(c1)CCCCC2O)CC	EMOLS-id_314729926,PC-id_83208806	250.38	XTKABVFMPTVIHZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015464
CCOCCCn1cc2c(c1)CCCCC2NC	EMOLS-id_314972955,PC-id_83208975	250.38	ZIDCSGKCQQCCJV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015465
CCOCCn1cc2c(c1)CCCCC2NCC	PC-id_83208366,EMOLS-id_315103512	250.38	SVWLVLBBIZVJCB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015466
CCOCn1cc2c(c1)C(NCCC)CCCC2	PC-id_83213332,EMOLS-id_314719109	250.38	NVWAZQLNXCPAPG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015467
CNC1CCCCc2c1cn(c2)CC(C(C)C)O	PC-id_114249912	250.38	YOYVZOUVSYGJAC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015468
CNC1CCCCc2c1cn(c2)CCC(O)(C)C	PC-id_83208979,EMOLS-id_259898658	250.38	XYOBCCYIVHJUOZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015469
CNC1CCCCc2c1cn(c2)CCOC(C)C	PC-id_83208718,EMOLS-id_314749926	250.38	GZDXNVCQZSRIQA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015470
CNCc1noc2c1CCCCCCCCCC2	PC-id_80463006,EMOLS-id_315016599	250.38	MRNVVSGGXQFKJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015471
COc1ccc2-c(cc1)c(cc2SC)SC	PC-id_102220171	250.38	JBVIKTYAHSOHQU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015472
COCCCCn1cc2c(c1)CCCCC2NC	PC-id_104648726,EMOLS-id_314779951	250.38	IOKYRKCBLQDHOB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015473
COCCCn1cc2c(c1)CCCCC2NCC	EMOLS-id_315120009,PC-id_83208269	250.38	RHCSEVZKAZXSMU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015474
COC(CCn1cc2c(c1)CCCCC2N)(C)C	PC-id_103035008	250.38	MSYPBHYOUCLJBK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015475
NC1CCCCc2c1cn(c2)CCOC(C)(C)C	EMOLS-id_315769571,PC-id_112591112	250.38	AURYNFXYLCXKID-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015476
OCCCCCCn1cc2c(c1)CCCCC2N	PC-id_113991773	250.38	NTAIRUKWICPOMP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015477
OCCCCCn1cc2c(c1)CCCCC2NC	EMOLS-id_314972443,PC-id_83208163	250.38	GYGZBWKLGIOOSG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015478
OCCCCn1cc2c(c1)CCCCC2NCC	EMOLS-id_315768720,PC-id_83212831	250.38	YWUNPDGTUSPKET-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015479
OC(Cn1cc2C(NCCC)CCCCc2c1)C	PC-id_83213246	250.38	PDESNQSEKJDRKX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015480
CCc1nn(c2c1NCC(CN2)CC(C)(C)C)C	PC-id_136858011	250.383	GDUWQVOTXKCCOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015481
CCc1nn(c2c1NCCC(N2)CC(C)(C)C)C	PC-id_137001906,EMOLS-id_315987715	250.383	GPYDIQVBXHYZKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015482
CC(c1nnc2n1CCCCC2)NCC(C)(C)C	PC-id_61325147,EMOLS-id_314058977	250.383	VVXYCFHNTPSARX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015483
CCCc1nn(c2c1NCCC(N2)C(C)(C)C)C	EMOLS-id_260224362,PC-id_136327384	250.383	QRZOYLJIBUHTSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015484
CCCc1nn(c2c1NCC(C(N2)(C)C)(C)C)C	PC-id_136278992,EMOLS-id_315056114	250.383	DEXRUSULSUWXBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015485
CCCc1nn(c2c1NCC(CN2)CC(C)C)C	PC-id_136298113,EMOLS-id_315443067	250.383	NHHWRKCHOWXZEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015486
CCCc1nn(c2c1NCC(CN2)(CC)CC)C	PC-id_136927745,EMOLS-id_314743924	250.383	GMNHJBPWAKMMCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015487
CCCCCNC(c1nnc2n1CCCCC2)C	PC-id_43746912,EMOLS-id_314086743	250.383	QMNMRYMTRHBCDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015488
CC(CCNC(c1nnc2n1CCCCC2)C)C	EMOLS-id_315085402,PC-id_43426020	250.383	RHMUUCOBBYIBJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015489
CC(CCNCc1nnc2n1CCCCC2)(C)C	PC-id_120285289,MCULE-1497907148,EMOLS-id_50980490	250.383	YUMOKFCRHFGOPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015490
CCC(NC(c1nnc2n1CCCCC2)C)CC	PC-id_43746955,EMOLS-id_314087255	250.383	BOAKHGGPGHXQMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015491
CCCNCCNCc1n[nH]c2c1CCCCC2	PC-id_113405254,EMOLS-id_315864050	250.383	ZUGXYIODKLUERF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015492
CCn1c2c(c(n1)C)NCC(CN2)CC(C)(C)C	PC-id_136932112	250.383	ZMTPFONTNQTCOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015493
CCn1c2c(c(n1)C)NCCC(N2)CC(C)(C)C	PC-id_137001907,EMOLS-id_315988739	250.383	DHFRMZLSQSEZSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015494
CC(N1CCn2c(CC1)nnc2C(C)(C)C)(C)C	SCHEMBL10166261,PC-id_68051254	250.383	JRGFFABPMNUYJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015495
CCNC1CCCCc2c1cnn2CCN(C)C	PC-id_113952792	250.383	MZAMNYFBPIIZDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015496
CCNCCCNCc1n[nH]c2c1CCCCC2	EMOLS-id_315922948,PC-id_104422625	250.383	KASKWUBYKCKHLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015497
CC(NCCNCc1n[nH]c2c1CCCCC2)C	EMOLS-id_315186773,PC-id_104378284	250.383	UJDQURDORAZJNB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015498
CCNCC(NCc1n[nH]c2c1CCCCC2)C	PC-id_104395565,EMOLS-id_315142111	250.383	FAZJQHFVBWDGJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015499
CCNCCN(Cc1n[nH]c2c1CCCCC2)C	PC-id_104413106,EMOLS-id_315909121	250.383	MABOAPUWSHLPOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015500
CCN(CCNCc1n[nH]c2c1CCCCC2)C	PC-id_105985611	250.383	XYXNIJQYKJXKGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015501
CN(CCCNCc1n[nH]c2c1CCCCC2)C	EMOLS-id_314926074,PC-id_104433280	250.383	DRPJNROXCUCEDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015502
CN(CC(NCc1n[nH]c2c1CCCCC2)C)C	PC-id_104406806,EMOLS-id_315900679	250.383	WWCPOFVZQIBAQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015503
n12CCCCCc1nnc2CCC(CCN)CC	EMOLS-id_315255482,PC-id_64348844	250.383	AAHXJWSPRPKDPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015504
n12CCCCCc1nnc2C(NCC(CC)C)C	PC-id_43746917	250.383	APTSBFGDPLQWDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015505
n12CCCCCc1nnc2C(NC(CCC)C)C	PC-id_43746948	250.383	UGVNNWKJLLEFCK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015506
n12CCCCCc1nnc2C(NC(C(C)C)C)C	PC-id_43746950	250.383	LMFSGDRNIOZAAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015507
n12c(nnc1CCCCC2)CC(CC(C)C)CN	PC-id_65526830,EMOLS-id_315309707	250.383	IRNAOURSKZJQMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015508
n12c(nnc1CCCCC2)C(CCCC(N)C)C	PC-id_65285573	250.383	IBFDLMYMYMWVFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015509
n12c(nnc1CCCCC2)CCC(CCN)(C)C	PC-id_65285620,EMOLS-id_314923817	250.383	MIWGHHFVGJDOME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015510
NCC(c1nnc2n1CCCCC2)CC(C)(C)C	PC-id_113963418	250.383	VLQRRUOQMLFWCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015511
NC(CC(C)(C)C)Cc1nnc2n1CCCCC2	PC-id_116273329	250.383	YBNUVZHKVVSXSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015512
NCC(C(C)C)NCc1n[nH]c2c1CCCCC2	PC-id_106345217	250.383	DLGAAOHPUNKYLF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015513
C=CCCCC(c1cc2c(s1)CCCCC2)O	PC-id_115804347	250.4	YSNAWJPDFXSCEK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015514
CCC(=C)CC(c1cc2c(s1)CCCCC2)O	PC-id_115817606	250.4	SJYCBHZXGFQUMW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015515
CC(=C)CCC(c1cc2c(s1)CCCCC2)O	PC-id_115834508	250.4	XDFRZBKMRVHAKM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015516
CCCCCC(=O)c1cc2c(s1)CCCCC2	PC-id_114966966	250.4	YSDGTPBLTNDUQS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015517
CCCC(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_107891393	250.4	ZCABIQPGSNWLBM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015518
CC(CCC(=O)c1cc2c(s1)CCCCC2)C	PC-id_114966776	250.4	KFNZCRYSOFMLIK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015519
CCC(CC(=O)c1cc2c(s1)CCCCC2)C	PC-id_114969014	250.4	SOCSLYSAYUZWKI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015520
CCC(C(=O)c1cc2c(s1)CCCCC2)CC	PC-id_115785616	250.4	GQRHJPQMXOQNMK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015521
OC(c1cc2c(s1)CCCCC2)C1CCCC1	PC-id_115840619	250.4	KYJDTGTYVMILDK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-015522
OC(c1cc2c(s1)CCCCC2)CC1CCC1	PC-id_115802456	250.4	YQYIOTRZAMYHSX-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-015523
OC(c1cc2c(s1)CCCCC2)CCC1CC1	PC-id_113662771	250.4	WAIFZQBJUKKWOB-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-015524
s1c2CCC(CCCCC)(CC(=O)c2cc1)C	PC-id_12337268	250.4	LYIFNZPCBZJYKE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015525
C1CCCc2c(CC1)sc(n2)CNCC1CC1	EMOLS-id_40503315,PC-id_64436003	250.403	IHCJCBKSQFCDCS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-015526
C=CCCC(c1cc2c(s1)CCCCC2)NN	PC-id_105311446	250.403	MNMCHXPABZPKTM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015527
N1CCN(CC1)Cc1cc2c(s1)CCCCC2	PC-id_62489209,EMOLS-id_39109832	250.403	UXXPOEKFUXLXPH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-015528
NNC(c1cc2c(s1)CCCCC2)C1CCC1	PC-id_105340040	250.403	SWMZQDYIMJRBFR-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-015529
NNC(c1cc2c(s1)CCCCC2)CC1CC1	PC-id_105310985	250.403	HHXLTVLXCHHDGC-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-015530
NNC(c1cc2c(s1)CCCCC2)CC(=C)C	PC-id_105319444	250.403	VDHVJQBJIRQSKE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015531
NNC(c1cc2c(s1)CCCCC2)C=C(C)C	PC-id_105319706	250.403	YOMSUPVWRFQIFV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015532
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s1c(nc2c1CCCCCC2)CC1NCCC1	PC-id_62542328	250.403	CFRONTWYLJACEC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-015534
s1c(nc2c1CCCCCC2)[C@H](N)CC1CC1	PC-id_83309263	250.403	QKMNYFBCJVVIMG-LLVKDONJSA-N	00100000100000000101000000000010000000000000000000000000	31-01-015535
[S+](c1c2-c(c([S+](C)C)c1)ccccc2)(C)C	PC-id_24822744	250.423	QGEHVNICSNXLGZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015536
C1Cc2c(CSC1)c(n[nH]2)SSS	SCHEMBL20053814,PC-id_134420847	250.428	KMEFTEXVWDXMIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015537
S1Sc2c(SSC1(C)C)nn(c2)C	PC-id_13729598	250.428	DIZHGSYUOAESJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015538
CCCCCc1sc2c(c1)CCCCCCC2	PC-id_102477778	250.443	CITBYNKJRUZAKN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015539
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S1CC=CCSc2sc(=S)sc12	PC-id_85598517	250.448	QMOQBJAKDDNQGU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-015541
ClS(=O)(=O)c1c2CCCCCc2sc1	PC-id_71670733	250.765	NYPRCPQVDAPHPV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015542
ClS(=O)(=O)c1sc2CCCCCc2c1	PC-id_71670743	250.765	CTQQKGHFOJPYKB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-015543
Clc1cc2-c(ccc(SCCCC)cc2)c1	PC-id_13465567	250.787	NVQMIXGKOCGDFG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015544
C1=CC=C2C(=C(C(=O)N2)CCBr)C=C1	PC-id_163817640	250.995	NSRSEEFQNWJBRP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015545
OC(=O)c1c(Br)cc2-c1ccccc2	PC-id_121217341	251.076	BKOLKKICVSGGHB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-015546
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CC(C)(C)OC(=O)N[C@H]1CCCc2cnoc2C1	ZINC22_575423527	252.31	GBRCWJJGEDALRF-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-015868
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c1nnn2c1CN(CCO[C@@H]1CCOC1)CCC2	ZINC22_931745143	252.313	YBTNHCJSJNQIMY-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-015876
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C1OCC(C1)OCCN1CCCn2c(C1)cnn2	PC-id_146139461	252.313	YBTNHCJSJNQIMY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-015878
CC1Cc2nncn2CCN1C(=O)OC(C)(C)C	EMOLS-id_295412784,MCULE-4735078079	252.313	FHQQJNOMJNOHOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015879
CC(C)(C)OC(=O)N1CCc2ncc(N)n2CC1	EMOLS-id_330354638,ZINC22_1875353969	252.313	MRQXDIZRBLNHBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015880
CC(C)(C)OC(=O)N1CCCn2nc(N)cc2C1	SCHEMBL16794266,MCULE-2321311859,EMOLS-id_49433431,PC-id_118139606,ZINC22_97759005	252.313	KULRMNOOJXWOOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015881
CC(C)(C)OC(=O)N1CC(N)Cn2ccnc2C1	EMOLS-id_317470054,MCULE-8469686892	252.313	AVGZCFBTQOOPIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015882
CC(C)(C)OC(=O)N1CC(N)Cn2nccc2C1	PC-id_138991444,MCULE-7955560005,EMOLS-id_317671572	252.313	XJIHOWQDWQYNKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-015883
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CC(C)Cn1nc2CCCCC(C(=O)O)n2c1=O	EMOLS-id_317418335,MCULE-9887867331	253.298	QDVDDCXGVMFYEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016120
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CC(C)(C)OC(=O)N1Cc2ccnn2C[C@H](O)C1	ZINC22_306131154,EMOLS-id_331052716	253.298	JXWHEDYCAWSYQE-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016123
CC(C)(C)OC(=O)N1CCCc2c(O)n[nH]c2C1	EMOLS-id_195848086,PC-id_118798372,ZINC22_95698607,EMOLS-id_45956897,MCULE-3571216726	253.298	WXSKAYBWLLDOBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016124
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CC(CO)NC1CCCCn2nc(cc12)C(=O)O	MCULE-7704728721,EMOLS-id_259824803	253.298	QBOILQXSAKJFIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016127
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ClC(Cl)(Cl)c1n[nH]c2c1CCCCC2	PC-id_10912054	253.556	STGRWQLJCBCGEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016339
CN(C(=O)c1c(Cl)sc2=CC=CCC=c12)C	PC-id_145504872	253.748	YUZUVIOCGJIJMD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-016340
C1CN(CCC2=C1C(=C(S2)N)C(=O)[O-])C(=O)[O-]	PC-id_153914515	254.037	HHTQXMQGGUOHGD-UHFFFAOYSA-L	00000000100000000100000000000010000000000000000000000000	31-01-016341
C1=CC=C(C=C1)CC2=NC3=C(S2)C(=O)N=CC=C3	PC-id_154462888	254.051	PYFPXGFHKYKOIN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-016342
Ic1c2-c(cc1)ccccc2	SCHEMBL15484734,PC-id_11149465	254.067	BQAWYQMUMXTWIG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016343
Ic1cc2-c(c1)ccccc2	SCHEMBL14153190,PC-id_11507114	254.067	XASHWDKOJUHIRT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016344
Ic1ccc2-c(ccc2)cc1	PC-id_15668047	254.067	GQHQNTFHIMYMRF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016345
BrC1C=Cc2c(C=C1)cc([nH]2)C(=O)O	SCHEMBL20614450,PC-id_137384184	254.08	GYCHWOBBRCRPFC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-016346
[O-][NH+](O)c1cc(Br)c2-c1ccccc2	CNP0452630	254.08	JZVKCJNZLBODMT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016347
C=CCCCCOC1COC2=CSC=C2OC1	PC-id_153494062	254.098	INFNZPDNTPYLRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016348
C1=CC=C2C=CC(=C2C=C1)C[C@H](C(=O)OCC#N)N	PC-id_162342348,MCULE-1999340434	254.106	DLFBAAUKIGXIOV-CQSZACIVSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016349
Clc1c2-c(ccc(NC(=O)C)cc2)c(Cl)c1	PC-id_10848514	254.112	YZXFSJXUKLHHDY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016350
CC(C)(C)C(=O)OC1=CC(=O)N2N1CCOCC2	PC-id_154513160	254.127	BTMKRJQTIQPGMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016351
CCC1=C2C(=C(S1)C(C)C(C)C)OCCCO2	PC-id_153577427	254.134	BKMGBSQRNKXCPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016352
C1CN2C=CC=C2C(NC1=O)CCC3=CC=CC=C3	PC-id_153917670	254.142	XLRDGDMXFQDWLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016353
Cc1ccc2n1C(C(=O)NCC2)Cc1ccccc1	PC-id_163885844	254.142	PXFXKSAKPCJGOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016354
[O-][N+](=O)C1=CCC=c2c(=C1)cc([se]2)C	PC-id_145554292	254.144	PSCNULJTAXCAPO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-016355
Cl.C1CN(CCc2c1nc(o2)N)CC.Cl	CHEMBL1335356	254.157	HBLPYIOKPJVFQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016356
COC(=O)C1(OC)NC(=O)c2c(NC1=O)nc[nH]2	PC-id_9992460,SCHEMBL5745188	254.199	OIAAUWKVHSIXSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016357
CC(=O)Oc1ccc2-c1cccc(c2)C(F)(F)F	PC-id_101135353	254.205	IERJNQBBGOVRJS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016358
COc1cc2-c(c1C(=O)C(F)(F)F)ccccc2	PC-id_102326248	254.205	PBUFXYQPLAYGJX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016359
O(c1c2-c(c(c([N+]#N)c2C#N)C(=O)O)cccc1)C	PC-id_10243961	254.221	UJEFKNMDFXCHMO-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-016360
Oc1c2-c(c(c([N+]#N)c2C#N)C(=O)OC)cccc1	PC-id_10467426	254.221	DUMVKBXMTXNSCY-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-016361
FC(COCCn1c(=O)nc2-c1ccccc2)F	EMOLS-id_319222814	254.233	NXYRQMXCAWBXOQ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-016362
CCC(=O)N1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580237,SCHEMBL14965869	254.243	XIWKZFMAPKCTBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016363
O=c1cnc2c(ncn2Cc2ccccc2)c(=O)[nH]1	CHEMBL120006,PC-id_9992468,BindingDB_PC-id_9992468	254.244	PLBWRGKEENCFBR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-016364
O=c1n(Cc2ccccc2)cnc(=O)c2nc[nH]c12	PC-id_511379	254.244	FCLQFPIMKJBRRE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-016365
N#CC(=c1cc2-c(c1)ccccc2=C(C#N)C#N)C#N	PC-id_101223284	254.246	IQTHPXFCHHVAJB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016366
Cc1ccccc2-c1c(cc2C)[C@H](C(F)(F)F)O	PC-id_101151977	254.248	NTDYHVZFEVHGJV-CYBMUJFWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016367
s1c2CCCN(C(=O)c2cc1[N+](=O)[O-])C(=O)C	PC-id_85872391	254.262	XHIIOJSLLGEPIV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016368
s1nc2N(CCN(C(=O)c2n1)C(=O)C)C(=O)C	PC-id_598536	254.266	XLJMBLFOJQHALZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016369
CC(=O)c1cc(c2-c1cc(ccc2)C(=O)C)C(=O)C	PC-id_102378809	254.281	JKVQTNWNIMBZNK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016370
CC(=O)c1ccc2-c(cc1)c(cc2C(=O)C)C(=O)C	PC-id_101269896	254.281	BQYRGXMPXFJIII-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016371
O1C(OCC1)/C=C/c1c(c2-c(c1)ccccc2)C=O	PC-id_10083643	254.281	UCDOGQCLRGZSDL-VOTSOKGWSA-N	00000010100000000111000000000010000000000000000000000000	31-01-016372
CCOC(=O)c1cc2OCC(O)(CC)CCn2n1	EMOLS-id_337761226	254.282	RQNLONRFFWGYRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016373
COC(=O)N1CCCc2c(C1)c(no2)OC(C)C	SCHEMBL10458517,PC-id_10400056	254.282	ZVUJXDFIMYLVGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016374
o1n(c(=O)c2c1CCCN(C2)C(=O)OC)C(C)C	PC-id_9992476	254.282	GRQVMOOYAXLKOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016375
o1n(c(=O)c2CCN(CCc12)C(=O)OC)CCC	PC-id_71562797	254.282	AQWVVKNYLPAICL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016376
o1nc(OCCC)c2CCN(CCc12)C(=O)OC	PC-id_71562917	254.282	UDALQVFOIKNAIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016377
O(C(C)(C)C)C(=O)N1CCCc2o[nH]c(=O)c2C1	PC-id_10422432,SCHEMBL10458514	254.282	LNLKZLWCXVJYTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016378
OC[C@@H](CNC(=O)c1noc2c1CCCCC2)O	EMOLS-id_320251845,MCULE-4416894135	254.282	PRQHGVIYBGFQDC-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016379
N#CC(CCC(=O)n1c(=O)cc2-c1ccccc2)C	PC-id_102442116	254.284	ILWFHMPIKJWLIZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016380
O=C1c2n(Cc3ccccc3)ccc2C(=O)NCC1	SCHEMBL6779501,PC-id_10562887	254.284	CWPUWHUJQPWCIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016381
O=C1CCNC(=O)c2c1ccn2Cc1ccccc1	SCHEMBL6993235,CHEMBL1796852,PC-id_20083199	254.284	GZILYUUJAJXDBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016382
O=C1CCNC(=O)c2c1cc([nH]2)Cc1ccccc1	PC-id_102158952	254.284	AWEQKHNDTZKLLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016383
O=C1N(CCC(=O)c2c1[nH]cc2)Cc1ccccc1	SCHEMBL6991554,PC-id_10538869	254.284	JSFSFJJWASNZPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016384
O=C(c1c2-c(cc(C(C)C)ccc2C)c(c1)C=O)C	PC-id_15315856	254.324	VFARTSIOSOWNQK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016408
CC(C)(C)OC(=O)N1CCc2nnc(O)n2CC1	MCULE-6713637179,PC-id_112547126,ZINC22_258056235,EMOLS-id_177873200	254.286	SAAPLFFMNGHWEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016385
OC1CN(Nc2c(C1)[nH]nc2)C(=O)OC(C)(C)C	PC-id_141493540	254.286	SQCCYHGXMLSFNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016386
O=c1n2CCCCCc2nn1CC(=O)NCCO	PC-id_78854365	254.286	XVMCYKFKAVYJIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016387
N#C/C(=Cc1ccco1)/c1nnc2n1CCCCC2	PC-id_5976329,GD-id_ZINC05444698	254.287	TZGQFNXDVTZXEN-PKNBQFBNSA-N	00000000101000000101000000000010000000000000000000000000	31-01-016388
o1c(C=C(c2n3CCCCCc3nn2)C#N)ccc1	PC-id_3980012	254.287	TZGQFNXDVTZXEN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-016389
O=C(NC1=NCCCc2n1cnc2)c1ccccc1	PC-id_13111990	254.287	RLKHMFXIHVNYEX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-016390
c1(C(=Cc2cnc[nH]2)C#N)nnc2CCCCCn12	MCULE-6834894910	254.29	GZTYQQWHKZTGKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016391
N#C/C(=Cc1[nH]cnc1)/c1nnc2n1CCCCC2	PC-id_146025234	254.29	GZTYQQWHKZTGKE-UXBLZVDNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016392
OC(=O)c1c(CF)nn2CCCCCCCCc12	EMOLS-id_337768741	254.301	OBHJFBPUFMFRLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016393
CC1(COC(=O)C=C)COc2cscc2OC1	ZINC22_2102762460,EMOLS-id_337757557,MCULE-5043013941,PC-id_102232917	254.302	BFMHIHVWAMXXHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016394
O[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@H]1F	MCULE-3053198899,ZINC22_1875281822,EMOLS-id_320366985,PC-id_145904395	254.304	ZHKGRYFQJVPOOI-NXEZZACHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-016395
c1(C(=O)OCC)c2CCCNC(=O)c2sc1N	PC-id_16486717,EMOLS-id_13195812,TIMTEC405305,ZINC22_9193769,MCULE-9445939435,CoCoCo_6561031	254.305	QLUMDUCGPQTOJS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016396
COC(=O)Nc1csc2c1NC(=O)CCCC2	LI_180188,BindingDB-id_191567,ZINC22_5430677,CoCoCo_5576274,BindingDB_PC-id_323637,NSC285669,ChEMBL-DNDi_CHEMBL1710639,PC-id_323637	254.305	NOOJZWMVYKXTHJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016397
OC(=O)C(CN1C(=O)CCCc2c1ccs2)N	PC-id_65441644,EMOLS-id_41264523	254.305	LAAIAROFYZKAPI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016398
s1c2c(CCCNC2=O)c(N)c1C(=O)OCC	PC-id_24074714	254.305	ADXXFQZHFHQHRH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016399
s1c(N)c2CCCN(Cc2c1C(=O)O)C(=O)C	PC-id_84018821	254.305	KPTFMVAHXXRELF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016400
O=C1/C(=C/c2ccccc2)/N=C2N1C=CC=CS2	PC-id_101709688	254.307	UJHYGEYUWHFBGU-BENRWUELSA-N	00000011000000110111000000000010000000000000000000000000	31-01-016401
CCNC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625562	254.309	USKBVHDYVACJAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016402
CNC(=O)N1CCc2c(CC1)nc(s2)C(=O)N	PC-id_97442518	254.309	YIHBUSAVVFXZPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016403
N#Cc1nn(c2c1CCCN(C2)S(=O)(=O)C)C	PC-id_97404569	254.309	DVTWZWOIJCXTKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016404
CCOC(=O)c1cc(c2-c1ccccc2)/C(=C/C)/C	PC-id_102043373	254.324	YDNCTNOMAFTCEA-UUILKARUSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016405
CCOC(=O)c1cc(c2-c1ccccc2)/C(=CC)/C	PC-id_102043374	254.324	YDNCTNOMAFTCEA-QCDXTXTGSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016406
O(C(=O)c1c2-c(c(CCCCC)c1)ccccc2)C	PC-id_15602609	256.339	FEXJENUYWLYJHX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016787
O=C(c1occ2c1CCCCCC2)c1ccccc1	PC-id_102169214	254.324	DEGDYFZJVAJJFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016409
OC(=O)C=Cc1c2-c(c(c1)C)cccc(C(C)C)c2	PC-id_85570845	254.324	HXLCVEFUGXRLPC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016410
OC(=O)C=Cc1c2-c(c(CCCC)c1)ccccc2	PC-id_85570837	254.324	ONRGLSJKXORHFD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016411
C1(=Cc2c3-c(cc2)ccccc3)c2c(C=C1)cccc2	PC-id_11184375	254.325	UCOSLMAVNUVIHQ-UHFFFAOYSA-N	00000011100000100110000000001010000000000000000000000000	31-01-016412
CCCCOCC1CCCCCc2n1c(=O)on2	PC-id_141976381	254.325	ZZCFWFMELBXQRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016413
Cc1ccc2n1[C@@H](Cc1ccccc1)C(=O)NCC2	PC-id_101400836	254.327	PXFXKSAKPCJGOE-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016414
Cc1ccc(cc1)Cn1ncc2c1CCCCC2=O	PC-id_107384210	254.327	OOOXDYGRUGZXCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016415
Cc1ccccc1Cn1ncc2c1CCCCC2=O	PC-id_107384235	254.327	APHSAGJWGTWAIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016416
Cc1cccc(c1)Cn1ncc2c1CCCCC2=O	PC-id_107384236	254.327	JKWIFORUEPGIAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016417
Cc1cncc(c1)Cn1cc2c(c1)CCCCC2=O	PC-id_102877918	254.327	NVZCTOFLLUQFPH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016418
O=C1c2c(CCCC1)cn(c2)Cc1nc(ccc1)C	PC-id_83206033	254.327	JUTQUOVXJKMDGZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016419
O=C1c2c(CCCC1)cn(c2)CCc1cccnc1	PC-id_83207007	254.327	PKPXULJIBRCKRT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016420
O=C1c2c(CCCC1)cn(c2)CCc1ccncc1	PC-id_83208098	254.327	IRRNNFXRPDUSTJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016421
O=C1c2c(CCCC1)cn(c2)CCc1ncccc1	PC-id_83206685	254.327	NUISYPJTVVHLFT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016422
O=C1CCCCc2c1cn(c2)Cc1ncccc1C	PC-id_112651039	254.327	RHVUYIZDRKHUEM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016423
O=c1nc2-c(n1CC13CCC(C1)CC3)ccccc2	EMOLS-id_320311447	254.327	FEUSODMYWLECMN-UHFFFAOYSA-N	00000010100010000111000000000110000000000000000000000000	31-01-016424
O=C1N(Cc2n(CC1)ccc2)CCc1ccccc1	PC-id_73443000	254.327	XBPVQDICUSQCMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016425
O=C1N[C@@H](Cc2ccccc2)Cc2n([C@H]1C)ccc2	PC-id_101400834	254.327	NCGPZRHOXFBFEF-JSGCOSHPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016426
O=C(c1ccc2-c1ccccc2)NN1CCCCC1	PC-id_67310125,SCHEMBL2187506	254.327	HUPPSABEZIUMED-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-016427
O=C(c1ccccc1)NC1CCCn2c(C1)ccc2	PC-id_143775166	254.327	GBXHKJAUBXRXMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016428
O=C(N1CCCn2c(C1)ccc2)c1ccc(cc1)C	PC-id_20790288	254.327	LSCQMHZTFKUIJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016429
O=C(N1CCN(CC1)C)c1c2-c(cc1)ccccc2	PC-id_3042904	254.327	PKNQFCIBYGOKQP-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-016430
c1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2	CoCoCo_1285312,CoCoCo_1285314	254.33	NUMHQIRCKHWKQO-DAXSKMNVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016431
c1ccc(cc1)/C=C/CN1CCn2c(CC1)nnc2	CoCoCo_1285315,PC-id_42274845,CoCoCo_1285313	254.33	NUMHQIRCKHWKQO-QPJJXVBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016432
CC1(C)CCCC(=Cc2ccccc2)c2n1nnn2	SCHEMBL13483019,PC-id_70917613	254.33	UFJSMLHTQJCIMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016433
n12nnnc1/C(=C/c1ccccc1)/CCCC2(C)C	PC-id_58992813	254.33	UFJSMLHTQJCIMD-ACCUITESSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016434
N1(CCn2c(nnc2)CC1)CC=Cc1ccccc1	PC-id_74787021	254.33	NUMHQIRCKHWKQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016435
s1c([n+](cc1)C)/N=N/c1c2-c(cc1)ccccc2	PC-id_21583823	254.33	AUPPZVQINJLZGO-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-016436
CCOC(=O)c1sc2c(c1O)CCCCCC2	PC-id_101623198	254.345	UFSDDEJJHLIKRM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016437
S(c1oc(c2CCCCCc12)C(=O)OCC)C	PC-id_23255508	254.345	PBSQSRNITVTTNT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016438
c12N(CCCCc1cc(C(=O)N)s2)CCOC	EMOLS-id_97026625,MCULE-2872680473	254.349	DNNXWOSGXHJWFE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016439
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CC(C)(C)OC(=O)N1CCc2ncsc2CC1	MCULE-3381127775,PC-id_69780513,EMOLS-id_64088729,SCHEMBL6436553,ZINC22_141174679	254.349	GJLSIQSGXGCADC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016442
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COCCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320288121,MCULE-5355155903	254.349	MAOWOFWJILIBDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016446
COCCC(=O)Nc1nc2CCCCCc2s1	EMOLS-id_50314626,MCULE-4148693979,ZINC22_170620493,PC-id_99803571	254.349	XRMIHTJKOLKPQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016447
COCCN1CCc2c(C(C1=O)NC)scc2	PC-id_23554788,SCHEMBL14171050	254.349	DSOOXDHZNXKXTR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016448
COC(C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_318934086	254.349	AZNPFHJZYVKRQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016449
COCNC(=O)NC1CCCCc2c1ccs2	PC-id_21319850,SCHEMBL11534693	254.349	LMMHHAMTFSIFHI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016450
NCC(CC(=O)N1CCCc2c(C1)ccs2)O	EMOLS-id_319248750	254.349	VUYHKGZNVDVOJI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016451
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s1c2CCCCCc2nc1[C@@H](N)CCC(=O)O	PC-id_83314384	254.349	OPCDIOPOTKEARB-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016454
s1c2CCCCCCc2nc1C[C@H](N)C(=O)O	PC-id_83314376	254.349	OEMXKMOSDQAOFU-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016455
s1c2CCCCCCc2nc1[C@@H](N)CC(=O)O	PC-id_83314375	254.349	NBYDNIPBNQDGEA-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016456
s1c2CC(NC(Cc2nc1CC(=O)OC)C)C	PC-id_20672145	254.349	TZZLYCYKRFORFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016457
c1(CN2CCOCC2)nnc2CCSCCn12	ZINC22_2100539743,EMOLS-id_337651664,MCULE-9625519932	254.352	WNWODUHMGNFAKW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-016458
CCC(C(=O)N)Sc1nnc2n1CCCCC2	PC-id_62901830,EMOLS-id_315135099	254.352	DHPHDXMEBAJPPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016459
O[C@H]1CNC[C@@H]1Sc1nnc2n1CCCCC2	PC-id_114203482	254.352	WONIIPBDQPTWNF-IUCAKERBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-016460
S(C1C(O)CNC1)c1n2CCCCCc2nn1	PC-id_63703171	254.352	WONIIPBDQPTWNF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-016461
S(c1n2CCCCCc2nn1)CCNC(=O)C	PC-id_8320334	254.352	ZJKHHUVQUVJKTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016462
CCCCc1cc(c2-c1cccc(c2)C(C)C)C=O	PC-id_13923033,SCHEMBL10729054	254.367	QZAVTDDVDBXJDL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016463
CCC(=O)c1cc(c2-c1cc(ccc2)C(C)C)CC	PC-id_139664596	254.367	FYTPIDQQSXPEBT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016464
CCC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CC	PC-id_139664602	254.367	IVGWIOPYWWBGLE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016465
CO/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_118489034,SCHEMBL17229427	254.367	MGAMANSNMVWRPR-CMDGGOBGSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016466
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CC(C)(c1n[nH]c2CCCCCc12)c1ccccc1	EMOLS-id_337936146	254.37	LSYDCHCVDVSHBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016468
CNC1CCCCc2c1cn(c2)Cc1ccccc1	EMOLS-id_107466731,PC-id_83209173	254.37	OTLMCMSQEVKPHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016469
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n1(cc2C(N)CCCCc2c1)Cc1c(cccc1)C	PC-id_83209016	254.37	OXKPCNFTBQWSAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016472
n1(cc2C(N)CCCCc2c1)CCc1ccccc1	PC-id_83208236	254.37	DMMMXFNNGHFOOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016473
CC(c1sc(c2c1OCCCCO2)C(C)C)C	SCHEMBL18857781	254.388	MEWVTLZWTSURCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016474
CCCCC(C1(C)COc2c(OC1)csc2)C	SCHEMBL14748874,PC-id_71287035	254.388	JPPLEDWBVBJARK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016475
CCCOCC(c1cc2c(s1)CCCCC2)O	PC-id_115818909	254.388	JNUZAYPGVGHPSQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016476
CC(OCC(c1cc2c(s1)CCCCC2)O)C	PC-id_115821494	254.388	MXHWXWXWAFBNHP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016477
COCCCC(c1cc2c(s1)CCCCC2)O	PC-id_113665689	254.388	VXRSKIUHHQDTOS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016478
CCC(=[N+](C)C)c1ccc2-c1c(C)cc(cc2C)C	PC-id_110174509	254.39	ABAMVUIDIJJRRZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016479
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CC(CCCSc1nnc2n1CCCCC2)N	EMOLS-id_40655779,PC-id_64649115	254.395	QURHLCLIWNHLHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016483
CCCC(CSc1nnc2n1CCCCC2)N	PC-id_64649898,EMOLS-id_40655781	254.395	LSAHKAXUKSPGEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016484
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CCCNCCSc1nnc2n1CCCCC2	EMOLS-id_38272204,PC-id_61386424	254.395	RBQSLLPTOZDGBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016486
CCNCCCSc1nnc2n1CCCCC2	PC-id_61386453,EMOLS-id_38272212	254.395	IXLPEPCLTUELOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016487
CC(NCCSc1nnc2n1CCCCC2)C	PC-id_61386451,EMOLS-id_38272210	254.395	HWXOFHRYDAEYEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016488
CCNCC(Sc1nnc2n1CCCCC2)C	PC-id_62577719,EMOLS-id_39187909	254.395	YLQQEIJDKLZJMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016489
CCNC(CSc1nnc2n1CCCCC2)C	PC-id_64647945,EMOLS-id_40655791	254.395	RMTWKINOMXIHOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016490
CNCCCCSc1nnc2n1CCCCC2	EMOLS-id_39187913,PC-id_62576695	254.395	HATPFXTXDUKTMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016491
CNCC(CSc1nnc2n1CCCCC2)C	EMOLS-id_40370670,PC-id_64231791	254.395	ORPRROJTFXMBSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016492
CNC(CCSc1nnc2n1CCCCC2)C	EMOLS-id_40655789,PC-id_64647750	254.395	KGQCSNGZHKTPCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016493
NCCCCCSc1nnc2n1CCCCC2	PC-id_54966592,EMOLS-id_38367689	254.395	UXVJFZCCNDDWTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016494
NCCC(Sc1nnc2n1CCCCC2)CC	EMOLS-id_37696604,PC-id_43530503	254.395	ZHHQUDDRRDJNJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016495
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S(C(C(NC)C)C)c1n2CCCCCc2nn1	PC-id_64650483	254.395	SRTYOEZXDDEAGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016499
S(CC(N)C(C)C)c1n2CCCCCc2nn1	PC-id_80451095	254.395	KEEXVAYOJFGEOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016500
c1(c2-c(c(c1C)C)cc(C(C)C)ccc2C)CCC	PC-id_12822796	254.41	YSUVYGFCOWKPMN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016501
c1(c(C(C)C)cc2-c1cccc(c2)C(C)C)C(C)C	PC-id_19815748	254.41	DQYVTPYJYCDJGS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016502
c1(CCCCC)c2-c(cc(C(C)C)cc1)c(cc2)C	PC-id_85603916	254.41	BPFPDWQQYBMXAF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016503
CCC(c1cc2-c(c1)ccc(cc2)C(C)(C)C)(C)C	PC-id_144228206	254.41	HZBPBQNGKBTCBZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016504
CCC(c1cc(c2-c1ccccc2)C(C)(C)C)(C)C	PC-id_144236874	254.41	YHJORRIBYYOYHC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016505
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CSC1=NCCCc2c1cc(s2)CN(C)C	PC-id_139776017	254.415	RATCAOHIABPOEH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-016508
c12SCC(CSc1sc(=S)s2)O	EMOLS-id_5829751,TIMTEC429003,MCULE-1814531833,PC-id_2818497,ZINC22_3667070	254.436	RMKIFSTWGLVGAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016509
CCn1cc2c(n1)SSSSS2	PC-id_12952528,SCHEMBL11349756	254.44	JZJBAWXXBOCYTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016510
ClC(Cl)(Cl)c1onc2CCCCCc12	PC-id_86091420	254.541	QHWXMMVWNORQCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016511
[N-]=[N+]=NC1CCn2c(N(C1=O)C)c(nc2C)Cl	SCHEMBL18367033	254.676	XLLFDVKEBVPZSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016512
[N-]=[N+]=NC1CCn2c(N(C1=O)C)nc(c2Cl)C	SCHEMBL18366922	254.676	ISEMOZLKOFZZRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016513
ClCCCCn1c2c(cc1)C(=O)CCNC2=O	PC-id_10729664,SCHEMBL9040763	254.713	OJJYAOURNFVDTL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016514
ClCCCn1c2c(C(=O)CCN(C2=O)C)cc1	PC-id_10848585,SCHEMBL9041444	254.713	XSKUAJJLWZONSJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016515
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ClCCCN1CCC(=O)c2n(ccc2C1=O)C	SCHEMBL6621027,PC-id_10753483	254.713	LCVCDNPJMNXJOB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016518
CC1=Nn2c(c(c(n2)C(C)(C)C)Cl)NC(=O)C1	PC-id_135518227	254.716	CJFDHUHBEXDPEQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016519
ClS(=O)(=O)c1c2-c(c(c1)CC)ccccc2	PC-id_10422476	254.733	SQZPNCMKWMFFSC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016520
ClC1CCCCc2oc(CCCCC1=O)cc2	PC-id_49840099	254.752	MPDZFSOJAUGUCN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016521
ClCCCCn1c2c(CCCN(C2=O)C)cc1	PC-id_10611004	254.756	BBVYHRWMZCAPJF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016522
ClCCCN1CCC(c2n(ccc2C1=O)C)C	PC-id_21304045	254.756	REXCIXHHDPAZLR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016523
CCCC(c1cnn2c1N=C(Cl)CCC2N)C	PC-id_142869994	254.759	AUSCNUJEFPOHFL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016524
CCCCCC1=c2ccsc2=NC(=CN1)Cl	SCHEMBL5468776	254.779	QJUYADNRMXGLTB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016525
CCCCCC1=NC=C(Nc2c1ccs2)Cl	SCHEMBL5468771,PC-id_69453341	254.779	CNFPRNOSOKPEJH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016526
Ic1cc2-c(n1)ccccc2	PC-id_102082539	255.055	RUDPPVBOKHFEJX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016527
Brc1cc(=O)c(c2c(c1)cc(o2)C)O	PC-id_102239184	255.065	DYURZLFZMSLDAW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-016528
Clc1cc2-c(c(OC(=O)C)cc2)ccc1Cl	PC-id_11299804	255.097	AGFVKWFPOCPRPU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016529
CCOC(=O)C1=CC2=C(N1P)CC(CCC2)O	PC-id_147276571	255.102	CRMGDSILYVIOMG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016530
CC(=[N+]=C)c1nn2CC(=O)N(CC(c2c1)(F)F)C	PC-id_163832673	255.105	MZBHDQJPOTZYKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016531
CCOC(C1=C(SC2=C1CCCCCC2)N)O	PC-id_163986263	255.129	TWPWPBQWVTURFE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016532
CC(C1C=c2cn[nH]c2=CCC1Br)C	PC-id_89234206,SCHEMBL14049975	255.154	UOUDHJDOTSWUTB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016533
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N=Cc1oc2c(c1/C=CC(C)C)C=CC(C=C2)(C)C	SCHEMBL19486450	255.355	YVHRUZAFZJZARE-YKAIFJKNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-016642
NC(=O)C(c1ccc(cc2-c1ccc2C)C(C)C)C	SCHEMBL9641213,PC-id_13146051	255.355	GJJFFCHQOCRVQM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016643
NC(=O)CCc1ccc(cc2-c1ccc2C)C(C)C	PC-id_21692935,SCHEMBL9340065	255.355	DEJIMVCPKNRLJN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016644
OC1c2c(CCCC1)cn(c2)Cc1c(cccc1)C	PC-id_83207781	255.355	OMEMMYPNCGAEKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016645
OC1c2c(CCCC1)cn(c2)Cc1ccc(cc1)C	PC-id_83208249	255.355	FACXVNPMGJZTJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016646
OC1c2c(CCCC1)cn(c2)Cc1cc(ccc1)C	PC-id_83208976	255.355	OXRGEDVTMCGHBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016647
OC1c2c(CCCC1)cn(c2)CCc1ccccc1	PC-id_83208167	255.355	JGPVAHHYSLPRFO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016648
O/N=C(c1cc(c2-c1c(C)ccc(c2)C(C)C)C)/C	PC-id_101070340	255.355	FFURLDOUORJZFJ-AQTBWJFISA-N	00000010100000000110000000000010000000000000000000000000	31-01-016649
c1ccc(cc1)CNCc1n[nH]c2c1CCCCC2	EMOLS-id_313636792,PC-id_62113182	255.358	JQWODDOANZCGDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016650
c1ccc(CCc2nnc3n2CCCCCC3)cc1	MCULE-9310948452,ZINC22_630951493,EMOLS-id_320397415	255.358	KZPNMZVSKCQOKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016651
Cc1ccccc1Cc1nnc2n1CCCCCC2	MCULE-6292558253,ZINC22_630950846,PC-id_139021511,EMOLS-id_317737132	255.358	GFWALQMWYGEXSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016652
Cc1ccc(cc1)Cn1ncc2c1CCCCC2N	PC-id_107384357	255.358	CVCLAUSSJCMOJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016653
Cc1ccccc1Cn1ncc2c1CCCCC2N	PC-id_107384463	255.358	AVICWABGWQKDFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016654
Cc1cccc(c1)Cn1ncc2c1CCCCC2N	PC-id_107384466	255.358	ATUJMFWOBIQMCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016655
CC1CN(Cc2ccccc2C)Cc2c(C1)[nH]nc2	EMOLS-id_318860820	255.358	CZXJQAXSTFFRLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016656
CC1CN(Cc2ccc(cc2)C)Cc2c(C1)[nH]nc2	EMOLS-id_320039451,MCULE-2022837075	255.358	YWLGNVNASHZVNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016657
Cc1cncc(c1)Cn1cc2c(c1)CCCCC2N	PC-id_102878058	255.358	LEKIHSGVOWNFKM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016658
CC(c1n[nH]c2CCCCCc12)c1cccc(N)c1	EMOLS-id_337934361	255.358	REGWDDDOFMYMDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016659
CC(c1n[nH]c2CCCCCc12)c1ccc(N)cc1	EMOLS-id_337932570	255.358	ZTNFAHRWZRHCIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016660
C/C=CC=C/C(c1cnc2n1C=CC(N=C2)(C)C)C	PC-id_142111820	255.358	BNNIDYKDTHGFBE-ISTTXYCBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016661
CC[C@H]1Cc2nc[nH]c2CCN1Cc1ccccc1	SCHEMBL18408202	255.358	GBPUACBTNAKAAY-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016662
C[C@H](c1nnc2n1CCCCCC2)c1ccccc1	PC-id_10332609,SCHEMBL14587255	255.358	SYAQGQMPBCAEAY-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016663
C[C@@H](c1nnc2n1CCCCCC2)c1ccccc1	SCHEMBL14587259,PC-id_10355017	255.358	SYAQGQMPBCAEAY-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016664
CNC1CCCCc2c1cnn2Cc1ccccc1	PC-id_107384267,EMOLS-id_261927786	255.358	ZIWAUOKKSBPLBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016665
n12CCCCCCc1nnc2C(c1ccccc1)C	PC-id_20724872	255.358	SYAQGQMPBCAEAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016666
n1(cc2C(N)CCCCc2c1)Cc1nc(ccc1)C	PC-id_83209129	255.358	JKODXHZWXHZRLH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016667
n1(cc2C(N)CCCCc2c1)CCc1cccnc1	PC-id_83207939	255.358	DXAPXUOYLNIXHL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016668
n1(cc2C(N)CCCCc2c1)CCc1ccncc1	PC-id_83208310	255.358	RPWOGRLDCVJAET-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016669
n1(cc2C(N)CCCCc2c1)CCc1ncccc1	PC-id_83208303	255.358	LRFGLBCGIXTIDK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016670
n1(cc2C(NC)CCCCc2c1)Cc1cccnc1	PC-id_83207794	255.358	HEJPDEHWPYRDCG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016671
n1(cc2C(NC)CCCCc2c1)Cc1ccncc1	PC-id_83208066	255.358	CYVXBUKVZOATEP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016672
n1(cc2C(NC)CCCCc2c1)Cc1ncccc1	PC-id_83209095	255.358	LPJQIYFUNDZYER-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016673
NC1CCCCc2c1cn(c2)Cc1ncccc1C	PC-id_112651107	255.358	NJRARYCGIDTFHO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016674
NCC1Cc2cc(sc2CCCP1C)CC	PC-id_142603337	255.359	ALLZJFMFCKWKBA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016675
O=c1sc2c(n1CCCCCO)CCCCC2	EMOLS-id_53773154,ZINC22_225550186,PC-id_100674952,MCULE-3882953062	255.376	JXZRENWEGCXRCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016676
N#CSc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_118491511,SCHEMBL17232524	255.378	IZJPWYCGGNVIEO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016677
S=C=Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_140298295	255.378	NWKLUIMSCQEVDE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016678
c1(C(CC)OC(C)C)nnc2CCSCCn12	EMOLS-id_317854906,MCULE-7062937281	255.38	GRGFIVKSBWYJTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016679
CC(CCSc1nnc2n1CCCCC2)(O)C	EMOLS-id_42207471,PC-id_79360891	255.38	YQOHKXZKTSYEMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016680
CCC(CSc1nnc2n1CCCCC2)(O)C	PC-id_113592408,EMOLS-id_316011447	255.38	LKGUABPWKVJWAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016681
CC[C@H](OC(C)C)c1nnc2n1CCSCC2	ZINC22_1772809898	255.38	GRGFIVKSBWYJTQ-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-016682
CC[C@@H](OC(C)C)c1nnc2n1CCSCC2	ZINC22_1772809899	255.38	GRGFIVKSBWYJTQ-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016683
OCCCCCSc1nnc2n1CCCCC2	EMOLS-id_38872941,PC-id_62229189	255.38	VXZQLIGQMQNKGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016684
c1cc(c2-c(cc1C(C)C)c(cc2CN(C)C)C)C	PC-id_13062555,CNP0108517,UNPD37941,CMNPD2057	255.398	MMRMNHRLGPLGDM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016685
N(CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)(C)C	PC-id_13062556	255.398	HQJWSQDFSKOYBX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016686
NCCCCc1c2-c(cc(C(C)C)cc1)c(cc2)C	SCHEMBL9636050,PC-id_19807611	255.398	LOYMBUONADFDNB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016687
S1CCC(CN(C)C)C(=O)c2c1sc(c2)C	PC-id_10611052	255.399	JJSQBHOYUQXRRC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016688
S1CCC(N(C)C)C(=O)c2c1sc(c2C)C	PC-id_70047195	255.399	PWYLDBWKSYHLEH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016689
S(c1n2CCCCCc2nn1)CC=CCS	PC-id_80041189,EMOLS-id_315424717	255.403	HHZRXFSPVGMLOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016690
SCC(=C)CSc1nnc2n1CCCCC2	PC-id_103074156	255.403	IHIIDRARVFYKJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016691
s1c2CCCCCCCCCCc2[nH]c1=S	EMOLS-id_40428680,PC-id_12532283	255.443	OKVVDZKOMXGJKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016692
Cc1s[s+]c2c1CCCCCCCCCC2	PC-id_101607837	255.462	GLCMMQSKIGUUFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016693
Clc1c2CCNCCc2sc1C(F)(F)F	PC-id_46849913,SCHEMBL3000350	255.688	OXKFQXLVSGDHLR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016694
CC(C(=O)N1CC(C)(C)Cc2c(C1)cco2)Cl	MCULE-9943689907	255.741	MFSSEGZIIAOIKH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016695
N#CC1=C(Cl)Cc2c(N=C1)nc(s2)SC	PC-id_143202063	255.747	APPDSWAXLBAHMM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016696
CC(=C)C(=O)c1c(c2c(s1)CCNCC2)Cl	PC-id_89340478,SCHEMBL14452989	255.764	GUMFGVCMFSQKPI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016697
ClCc1noc2c1CCCCCCCCCC2	PC-id_80463231,EMOLS-id_314857261	255.784	FRPCAJBHODTFSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016698
C1CN(CCC2=C1C(=C(S2)N)C(=O)O)C(=O)O	PC-id_153879474	256.052	HHTQXMQGGUOHGD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016699
CN1CC(=C)c2cc(nn2CC1=O)Br	PC-id_135342961,SCHEMBL20517290	256.099	ASXSAUCGUKGDOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016700
[B]c1nc2c(n1CC#CC)CC(=O)N/C(=CO)/N2C	PC-id_163954955	256.113	TXARDBJNZMUKOP-VQHVLOKHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016701
CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C(=O)OC)C	PC-id_165353812	256.146	JFWAMOKVVOOMEN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016702
Brc1sc2CCCCCc2c1C#N	PC-id_68396500,SCHEMBL12835960	256.162	DMYCVPPQMRQBRY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016703
CC1C=Cc2c(N=C1)c(c(s2)C)Br	PC-id_143306213	256.162	ZJGQSAFEXCMMHM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-016704
O1CCN(CCn2c1nc([N+](=O)[O-])c2)CC(=O)O	PC-id_71569322,SCHEMBL14965582	256.215	RHPXGNDRVKSXQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016705
O=c1[nH]c2-c(c1C(=O)Nc1n[nH]nn1)ccccc2	PC-id_9992554	256.22	NMJBPEIAEPPDFG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-016706
OC(=O)c1sc(c2c1OCC=CCO2)C(=O)O	PC-id_139253897	256.232	VDGYSPSSOARGHT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016707
S1c2n(nc(n2)N)C(=C(C(=C1C#N)C#N)C#N)N	PC-id_10538977	256.247	PIJBHRHVBNXFJC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016708
OC(=O)CCOCC1CCCCc2n1c(=O)on2	PC-id_141976393	256.255	YQNSBXRMXUUWLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016709
CCOC(=O)Cn1c(=O)c(c2-c1ccccc2)C#N	PC-id_12852682,SCHEMBL11283121	256.257	CQLPYNLHFJPTQL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016710
O(c1c2-c(c(c(N)c2C#N)C(=O)OC)cccc1)C	PC-id_5325258	256.257	ALFKURGUPVPDHH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016711
c12CN(CCCn1nc(C#N)c2)C(=O)c1ccoc1	MCULE-4551139893,EMOLS-id_177444774,ZINC22_584895457	256.26	XKBYSIRCPFQZDM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-016712
C1C(=O)Nc2c(cnn2Cc2ccccc2)C(=O)N1	PC-id_137211346	256.26	ZYBAMOBCWBABKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016713
N#Cc1cn[nH]c1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319101636	256.26	FRLQCESUCHSUQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016714
c12-c(ccc1C=Cc1ccc3-c(cc1)ccc3)ccccc2	PC-id_86108921	280.362	OTUFYRMARVAYNE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025197
O=C1c2ncn(c2NC(=O)NC1)Cc1ccccc1	SCHEMBL5744489,PC-id_15121437	256.26	WBKVVYBFYMPSCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016715
O=C1CNC(=O)c2c(N1)ncn2Cc1ccccc1	PC-id_752441,CK1350553	256.26	SBNLKYIPZPJXAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016716
O=C1NCC(=O)Nc2n(Cc3ccccc3)cnc12	PC-id_10890510	256.26	HPBGKWAUXHDEHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016717
CC1NS(=O)(=O)c2cn(C)c(C(=O)O)c2C=C1	EMOLS-id_317492950	256.278	JSGGHZFRIQLWFE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016718
COC(=O)c1n(C)cc2c1C=CCNS2(=O)=O	PC-id_140762719	256.278	UPLQDUFNVBOUCE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016719
Cc1nsc2c1N(C(=O)C(CN2)NC(=O)O)C	PC-id_137199978,SCHEMBL19031508	256.282	HBHUFLCMHWQXSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016720
CCOC(=O)c1c(CC(=O)C)cc2-c1ccccc2	PC-id_102293859	256.296	CLPXNPJKYXYPLJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016721
CCOC(=O)CCC(=O)c1ccc2-c1ccccc2	PC-id_53869187,SCHEMBL9385255	256.296	HBWWYKMAAYNABB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016722
O=Cc1cc(c2-c1cc(ccc2C)C(C)C)C(=O)O	PC-id_57288087,SCHEMBL6534726	256.296	DWGZYFRICVARFM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016723
O=C(C(C)(C)C)c1cc2-c(c1)ccc(cc2)C(=O)O	PC-id_86082157	256.296	DPBHVMAARSKACI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016724
O(C(=O)c1c2-c(c(c1)C=O)cccc(C(C)C)c2)C	PC-id_86179269	256.296	YRDNMCGQUNYIMT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016725
O(C(=O)c1c(c(c2-c1ccccc2)C)CC(=O)C)C	PC-id_14972942	256.296	TWBCZEMEIXMMBP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016726
O(C(=O)c1c(c(c2-c1ccccc2)C(=O)CC)C)C	PC-id_86216987	256.296	WKZXLRVALAYIRS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016727
O(C(=O)c1c(CC(=O)CC)cc2-c1ccccc2)C	PC-id_14972940	256.296	BEMTVEIDWADFHO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016728
c1(C(=O)c2ccccc2)n(O)c2c(CCCCC2)n1	CHEBI:109467,CHEMBL1374522,MCULE-5046414613,ChEMBL-DNDi_CHEMBL1374522,EMOLS-id_2151171,CoCoCo_786034,ZINC22_210497,PC-id_755651	256.3	MTUBOZOUYQCLOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016729
c1(C(=O)c2ccncc2)c2CCCCCc2oc1N	PC-id_83448079,MCULE-4364371117	256.3	ZFNUDVQRJARITI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016730
c1(C(=O)Nc2ccccc2)c2CCCCCc2on1	PC-id_52902793,STOCK7S-16616,ZINC22_61721876,MCULE-9307389005,EMOLS-id_35790823	256.3	FTUGLCCYHGGXQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016731
Cc1ccnc(c1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319480921	256.3	ONWOZFPQMXUSDR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016732
Cc1cnccc1C(=O)N1CCCc2occc2C1	EMOLS-id_177255556,ZINC22_288971732,MCULE-4323358585	256.3	ATEKBWLBLAIROX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016733
CNC(=O)c1cc(c2-c1ccccc2)C(=O)N(C)C	PC-id_101438976	256.3	CRMCDGVIDVYKET-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016734
o1c2c(CCCCC2)c(c1N)C(=O)c1cccnc1	PC-id_83448078	256.3	WURDGVOVMAPGOK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016735
o1c2c(CCCCC2)c(c1N)C(=O)c1ncccc1	PC-id_83448077	256.3	MYWPCJAKPBFJRR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016736
O1CCN(NC(=O)c2c3-c(cc2)ccccc3)CC1	SCHEMBL5065614,PC-id_69298966	256.3	DPLJJYPLMHNNPS-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-016737
o1nc2CCN(CCc2c1C=O)Cc1ccccc1	PC-id_83870794	256.3	XJUYSDGBVOPESA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016738
o1nc(c2CCN(CCc12)Cc1ccccc1)C=O	PC-id_83870806	256.3	VMKDHIOWUIEZHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016739
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c12C(=O)NCCCc1[nH]c(CCc1ccncc1)n2	MCULE-5637621316,EMOLS-id_46638808,PC-id_72915227,ZINC22_95382543	256.303	JJCMZWVCWJRIQN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016745
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccncc1	EMOLS-id_318926450	256.303	WFLFWNNQCTYPDN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016747
Cn1cc2c(n1)N(CCCC2=O)Cc1ccncc1	SCHEMBL15307212,PC-id_89842222	256.303	KXYHVLXYFFRINS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016748
Cn1nc(C#N)c2c1CN(Cc1ccco1)CCC2	EMOLS-id_44366540,PC-id_97515455,ZINC22_96254403	256.303	MHAOKOULDFIWFL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-016749
CN/C=C(/c1n[nH]c2c1C=NC(=CC2)C)C=C/C=O	PC-id_145569633	256.303	MDSAYPPJWDIBMA-PRTWDDKSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016750
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O=C(c1c2c(CCCCC2)[nH]n1)Nc1ccncc1	EMOLS-id_323251896,MCULE-9513791633	256.303	HPGPOTPRVSZHNS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016752
O=C(c1c2c(CCCCC2)[nH]n1)Nc1cnccc1	EMOLS-id_323249335,MCULE-7054937124	256.303	RONUAANCBHPGPE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016753
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O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1	MCULE-6536608178,EMOLS-id_319897101	256.303	LEMGGUAPCGGPTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016755
O=Cc1ccnc(c1)CN1CCCn2c(C1)ncc2	PC-id_118421302,SCHEMBL17145009	256.303	NAMIKPOGIYJWRC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016756
O=C(c1nnc2-c1ccccc2)NN1CCCCC1	PC-id_68959155,SCHEMBL4215251	256.303	PUXWDTNJJTXKPO-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-016757
O=C(N1CCc2c(CC1)nc[nH]2)Nc1ccccc1	PC-id_142022547	256.303	LDRBMFQPLGFZOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016758
c12CN(CCCn1nc(C#N)c2)Cc1nccn1C	MCULE-8663614104,ZINC22_670436330,EMOLS-id_222753197	256.306	ALJFYOUSVLREKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016759
C/C/1=c/2c(=C/NCN/C=C1)[nH]c(n2)Cc1c[nH]nc1	SCHEMBL20290029,PC-id_135142935	256.306	YVNRUAZGZIMGJX-FTHIFYNFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016760
N#Cc1cn(nc1C)Cc1nnc2n1CCCCC2	EMOLS-id_111166319	256.306	DRNCNOZFQBXDPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016761
CCCC(=O)OCC1COc2c(OC1)csc2	PC-id_121258925,SCHEMBL17656932	256.318	WONIMFDCYMQWOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016762
Fc1cccc(c1)C=C1CCCCc2c1n(C)nc2	PC-id_141172634	256.318	PZYZABQLYYYIPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016763
Fc1cccc(c1)/C=C/1CCCCc2c1n(C)nc2	PC-id_141220688	256.318	PZYZABQLYYYIPE-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016764
O=C1CCCCc2c1cnn2CCS(=O)(=O)C	PC-id_107384244	256.321	MIEXCOWAHUFNFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016765
OCC1C(N(C)CCc2c1ccs2)C(=O)NO	PC-id_141940979	256.321	FOHQWCXJMMTVNI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016766
O=S(=O)(N1CCCc2c(C1)cco2)N1CCC1	EMOLS-id_102457669	256.321	WSAMGZYRDBZOFD-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-016767
C=CCCS(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316708093	256.325	LOYUOZBYLUZQAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016768
NCC(C(=O)O)Sc1nnc2n1CCCCC2	PC-id_64695468,EMOLS-id_40705659	256.325	PFOCDVWBRSCELZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016769
NC(C(=O)O)CSc1nnc2n1CCCCC2	EMOLS-id_38690460,PC-id_61935636	256.325	DWOQWNHOUOFQHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016770
CCCNC1CCCCc2c1cn(c2)CC(F)F	EMOLS-id_315124785,PC-id_83212756	256.335	HJZRTLSOGGGCKD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016771
CCCCc1cc(c2-c1ccc(cc2)C)C(=O)OC	PC-id_101676367	256.339	BXNQJSROMGAHLF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016772
CCCCCc1ccc2-c1cc(ccc2)C(=O)OC	PC-id_141580589	256.339	FSLICESWFUBONF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016773
CCC(=O)Oc1ccc(cc2-c1ccc2C)C(C)C	SCHEMBL9641546,PC-id_57068403	256.339	MYMVWYMHVRZBGX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016774
CCOC(=O)c1cc2-c(cc(c1)C(C)(C)C)ccc2	PC-id_102235729	256.339	DUWRJORWVYMYFW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016775
CCOC(=O)c1ccc2-c1ccc(cc2)C(C)(C)C	PC-id_102235722	256.339	MEHRUAXHDXBCFR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016776
CCOC(=O)c1cc(c2-c1ccccc2)C(C)(C)C	PC-id_102235724	256.339	RCUHTCXSBPHJJL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016777
CCOC(=O)c1cc(ccc2-c1ccc2)C(C)(C)C	PC-id_102235727	256.339	YTSVMJTYMQTPGR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016778
CCOC(=O)CCc1cc(C)cc(c2-c1ccc2)C	PC-id_67908306,SCHEMBL9697501	256.339	AKQBJPJKGKESQV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016779
COC(=O)c1ccc2-c1cccc(c2CC)C(C)C	PC-id_139676922	256.339	QTKYSEISKAXBPJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016780
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CC	PC-id_14515737,SCHEMBL10414062	256.339	RKXDBBSILRGMLE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016781
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)CC	SCHEMBL10414616,PC-id_10467606	256.339	CLOCEZNXEJNGTM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016782
COC(=O)c1cc(c2-c1cccc(c2)C(C)C)CC	SCHEMBL10415290,PC-id_14515748	256.339	XCWIACSMMLOCJS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016783
COC(=O)c1cc(C)c2-c1c(ccc(c2)C(C)C)C	PC-id_15638514,MCULE-4452848946,ZINC22_40456618,EMOLS-id_45480567	256.339	ZBFWLEOAFONVHI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016784
OC(c1ccc2-c(cc1)ccc2C(=O)CCC)(C)C	PC-id_11128933	256.339	YGISFUUYWOEXLQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016785
O(C(=O)c1c2-c(cc1C)cccc(C(C)C)c2)CC	PC-id_85725023	256.339	UDFBXZGFHUZYME-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016786
OC(=O)C(c1c2-c(cc(C(C)C)cc1)c(cc2)C)C	PC-id_23171711,SCHEMBL9344445	256.339	PHQONIJOGQAZHL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016788
O(C(=O)Cc1c2-c(cc(C(C)C)cc1)c(cc2)C)C	PC-id_85603922	256.339	ZCDOJUCXNQHBSJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016789
OC(=O)CCc1c2-c(cc(C(C)C)cc1)c(cc2)C	PC-id_14401342,SCHEMBL9344448	256.339	KELUCADBIHCFQS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016790
O(C(=O)CCCc1c2-c(c(cc(c1)C)C)ccc2)C	PC-id_85604068	256.339	ATGGHMLTUMJFOI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016791
CC(Cc1ccc2-c1c(cccc2)C(C(=O)O)C)C	PC-id_140359431	256.34	YBONFVFPAWWEKG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016792
COC(=O)c1cccc2-c(c1)c(CCC(C)C)cc2	PC-id_141580516	256.34	PCTAFNDKNXPDBG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016793
o1c2C(CCCCc2cc1)C(OC)c1ccccc1	PC-id_10491311	256.34	HTOOSOHXZSKVEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016794
O=C(c1c2-c(c(CCC)c1)ccc(O)cc2)CCC	PC-id_86148587	256.34	DGQUUQWQTHXHRQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016795
c12-c(cc(c1)C)ccc(cc2)C#Cc1ccc(cc1)C	PC-id_58676058	256.341	VEUGTWFUMWYALX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-016796
Cc1cc2c(s1)SCCC(C2=O)CC(=O)O	SCHEMBL7289455,PC-id_10658745	256.341	XLGOQNPRRPNDPC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016797
Cc1cncc(c1)Cn1cc2c(c1)CCCCC2O	PC-id_102877947	256.343	IBRHBFFGXCZQDO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016798
Cc1n[nH]c2=CC=CCC(=c12)O[C@H]1CC2CC1CC2	PC-id_144055353	256.343	NCRDYCWKZZKJRI-QOZQQMKHSA-N	00000010100010000111000000000110000000000000000000000000	31-01-016799
CCC1CC1C(=O)NCC1=c2[nH]ccc2=CCC=C1	PC-id_143581149	256.343	NXKAXFLQQBKZNW-UHFFFAOYSA-N	00100000100000000110000000000010000000000000000000000000	31-01-016800
COc1ccc(Cc2n[nH]c3CCCCCc23)cc1	EMOLS-id_337934871	256.343	IFLWNIWZAZDBIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016801
OC1c2c(CCCC1)cn(c2)Cc1nc(ccc1)C	PC-id_83207969	256.343	JWRRMNLPKMMSBM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016802
OC1c2c(CCCC1)cn(c2)CCc1cccnc1	PC-id_83208149	256.343	ZEFDZXPBAQUWAN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016803
OC1c2c(CCCC1)cn(c2)CCc1ccncc1	PC-id_83207680	256.343	WZSIVCQMHNHUEW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016804
OC1c2c(CCCC1)cn(c2)CCc1ncccc1	PC-id_83208730	256.343	CBSZRABBYMHLLV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016805
OC1CCCCc2c1cn(c2)Cc1ncccc1C	PC-id_112651055	256.343	QKFMLXJDNHCKJZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-016806
Oc1ccc(Cn2cc3C(N)CCCCc3c2)cc1	PC-id_83208210	256.343	NECBASFZDGIGDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016807
Oc1cc(Cn2cc3C(N)CCCCc3c2)ccc1	PC-id_83208300	256.343	KHDDYHAEJPMVAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016808
O=c1n([nH]c2c1CCCCC2)Cc1c(cccc1)C	PC-id_66020696	256.343	YNZUMOKPHPDCFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016809
O=c1n([nH]c2c1CCCCC2)Cc1cc(ccc1)C	PC-id_66021936	256.343	RZAXDNBFOWOZJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016810
O=c1n([nH]c2c1CCCCC2)Cc1ccc(cc1)C	PC-id_66023335	256.343	ZSFILYYIKINFTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016811
CCCC1CS(=O)c2c(C(=N1)N=O)scc2	SCHEMBL8194884,PC-id_88262506	256.344	VJXFZQLGJOMXHG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016812
CSCCC1C(=O)Nc2c(C(=O)N1)scc2	PC-id_135007680	256.344	BPLCTEGPIZUYON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016813
s1c2c(NC(=O)[C@@H](NC2=O)CCSC)cc1	PC-id_16120117	256.344	BPLCTEGPIZUYON-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016814
c12CN(CCCn1nc(C#N)c2)CC1=CCCCC1	EMOLS-id_222769200,ZINC22_670451673,MCULE-1026543852	256.346	BMEKTROWOATDON-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-016815
c1ccc(NCCc2nnc3n2CCCCC3)cc1	PC-id_54924396,MCULE-8060894002,ZINC22_37605144,EMOLS-id_317913768	256.346	UBJYBRJFZGJGEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016816
c1ccc(NCC[C@@H]2CNCc3cccn3C2)nc1	ZINC22_585095295	256.346	OJHHPKFPSNSJEL-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016817
c1ccc(NCC[C@H]2CNCc3cccn3C2)nc1	ZINC22_585095296	256.346	OJHHPKFPSNSJEL-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016818
Cc1ccc(c(c1)C)CN1CCn2c(CC1)nnc2	PC-id_29084877,CoCoCo_1254734,EMOLS-id_20488459,MCULE-8416792685,CoCoCo_1254733	256.346	MEQLAWQDXNHLTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016819
Cc1ccc(c(c1)CN1CCn2c(CC1)nnc2)C	ChEMBL-DNDi_CHEMBL27476574,CoCoCo_1268640,CoCoCo_1268639	256.346	HAYGXILZIOWIMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016820
Cc1ccccc1CNc1nnc2n1CCCCC2	PC-id_1538775,ZINC22_1468072,MCULE-2139530673	256.346	HAZAYEZRBVZGDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016821
Cc1ccccc1NCc1nc2CCCCCn2n1	MCULE-3738705532,CoCoCo_6600429,PC-id_16458429,EMOLS-id_32192786,ZINC22_28526946	256.346	GMVSCJWUKVFJCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016822
Cc1ccccc1NCc1nnc2CCCCCn12	TIMTEC415945,PC-id_853537,CHEMBL1427253,EMOLS-id_543065,MCULE-1386404325,CoCoCo_5790881,ZINC22_392225	256.346	QXPOSYFPGYAEHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016823
Cc1cccc(NCc2nnc3CCCCCn23)c1	MCULE-7065796538,CoCoCo_5792802,EMOLS-id_5677802,ZINC22_3880987,PC-id_4282587	256.346	WQFRTRRGWMOCGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016824
Cc1ccc(NCc2nnc3CCCCCn23)cc1	MCULE-3584251788,CHEBI:111401,ZINC22_3171855,EMOLS-id_829421,PC-id_2310793,CHEMBL1454834,ChEMBL-DNDi_CHEMBL1454834,CoCoCo_6269492	256.346	OPHPDLOQUPTISP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016825
CC1CN(Cc2c(C1)[nH]nc2)C(c1ccccn1)C	EMOLS-id_319137755	256.346	LCXVLVJVUZFYLY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016826
CC1CN(Cc2c(C1)[nH]nc2)C(c1cccnc1)C	EMOLS-id_320128740,MCULE-8248973049	256.346	OZESWCDPVTWVSG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016827
CC1CN(Cc2ccc(cn2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319137528	256.346	WVWXVUXUTGXQGB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016828
CC1CN(Cc2ccnc(c2)C)Cc2c(C1)[nH]nc2	EMOLS-id_318844858	256.346	ACWBDYOFJLSSDS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016829
CC1CN(Cc2ccncc2C)Cc2c(C1)[nH]nc2	EMOLS-id_319566146	256.346	BQHRSXNFQAKROZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016830
CC1CN(Cc2cncc(c2)C)Cc2c(C1)[nH]nc2	MCULE-7215482050,EMOLS-id_319869643	256.346	FFLQBNUNKRYFMT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016831
CC1CN(Cc2ncccc2C)Cc2c(C1)[nH]nc2	EMOLS-id_318843146	256.346	IUYKDXWHJKXALP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016832
CC1CN(CCc2cccnc2)Cc2c(C1)[nH]nc2	EMOLS-id_319774588	256.346	KKOILYKGOBAGSA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016833
CCc1ccc(CN2CCc3nncn3CC2)cc1	EMOLS-id_20551759,PC-id_29256447,ZINC22_20996285,MCULE-4788029472,CoCoCo_1346246,CoCoCo_1346247	256.346	IDTBRQGXHWMTSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016834
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C/C=CC(=C/Cc1cnc2n1C=CC(N=C2)(C)C)N	PC-id_142111814	256.346	OPOFHDOXFYQKBP-QENXGIAESA-N	00000000100000000111000000000010000000000000000000000000	31-01-016836
Cn1nc(c2c1N(CCCN2)Cc1ccccc1)C	MCULE-7686452051	256.346	ZMFIMEOCQKUSNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016837
n12CCCCCc1nnc2Cc1c(CN)cccc1	PC-id_81318281	256.346	MYGYDLYJJOXRET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016838
n12CCCCCc1nnc2CC(N)c1ccccc1	PC-id_43325959	256.346	NWELYXHJLDKDRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016839
n12CCCCCc1nnc2C(CN)c1ccccc1	PC-id_55128911	256.346	YNTJLTBBFBVNEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016840
n12CCCCCc1nnc2C(N)(c1ccccc1)C	PC-id_62489737	256.346	URFJTNUDCRQVRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016841
n12CCCCCc1nnc2C(N)Cc1ccccc1	PC-id_43325962	256.346	OGXSRGKNGYCWOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016842
n12CCCCCc1nnc2Nc1ccc(cc1)CC	PC-id_20873297	256.346	ZPXMKMSHZPLKAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016843
n12CCCCCc1nnc2NCc1ccc(cc1)C	PC-id_1039960	256.346	LUOVBFIHBAEKDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016844
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N1(CCc2c([nH]nc2NC)CC1)Cc1ccccc1	PC-id_83870739	256.346	XHJKNQSXONIMEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016846
N1(CCc2c(nn(c2N)C)CC1)Cc1ccccc1	PC-id_83870737	256.346	RNTDOQMIINXHMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016847
N1(CCc2n(nc(N)c2CC1)C)Cc1ccccc1	PC-id_83920023	256.346	IPASYJPHBZARDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016848
N1(CCC(Nc2nc3-c(n2)ccccc3)CC1)CC	PC-id_85672521	256.346	IRROOLHKFVBKLE-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-016849
Nc1ccccc1CCc1nnc2n1CCCCC2	PC-id_107273690	256.346	REUOGQNTAUXUNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016850
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s1cc2OCC(COCCCC)(COc2c1)C	PC-id_86245542	256.361	BGGIGXRXEMNYGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016854
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Cc1c[nH]c2c1CN(CCC2)S(=O)(=O)C(C)C	PC-id_118491635,SCHEMBL17232651	256.364	PDDPRWWYQHGCGF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016857
CC(c1c[nH]c2c1CN(CCC2)S(=O)(=O)C)C	SCHEMBL17229700,PC-id_118489229	256.364	YMBOSFFZSQTEDC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016858
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CCn1cc(c2c1CCCN(C2)S(=O)(=O)C)C	SCHEMBL19297259	256.364	KRWVNCBBDOZKIW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016860
NC1CCCCc2c1cn(c2)CCS(=O)(=O)C	PC-id_83208050,EMOLS-id_314458794	256.364	QFILWGDERVNCJC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016861
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s1c2CCCCC(=NNc3ccccc3)c2cc1	PC-id_86125042	256.366	NLLBIVPAFSSFIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016863
s1c2CCCCNc2nc1/C=C/c1ccccc1	PC-id_11777190	256.366	RIRCLGSTTGRREO-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016864
s1c2CCCCNc2nc1C=Cc1ccccc1	PC-id_73097135	256.366	RIRCLGSTTGRREO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016865
s1c2NCCCCc2nc1C=Cc1ccccc1	PC-id_54451068	256.366	WUZXJLZBJILJFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016866
CNCC(CSc1nnc2n1CCCCC2)O	EMOLS-id_37419087,PC-id_43188122	256.368	JCWHZWUQRTXCHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016867
COCC(CSc1nnc2n1CCCCC2)N	PC-id_107511297	256.368	JDEAVDMWSDHBAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016868
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S(C(C(N)C)CO)c1n2CCCCCc2nn1	PC-id_64900699	256.368	QBGHAJFPIKQRIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016871
CCCCc1ccc2-c1c(OC)ccc(c2)C(C)C	PC-id_15602645,SCHEMBL9876460	256.383	BHRNLBVFIXQXGU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016872
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OCc1c(c2-c(c(cc(C(C)(C)C)cc2C)C)c1)C	PC-id_14961862	256.383	YKYIZWZYWSMIMN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016874
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C1CCC(CC1)NCCc1c[nH]c2c1CC=CC=C2	PC-id_143244693	256.386	LOVQMZAQRWRNOH-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-016878
Cn1c(CN2CCCCCC2)cc2c1C=CC=CC2	PC-id_144372460	256.386	UCKOVDNUNFMMRH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-016879
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c12-c(ccccc1C=Cc1c3-c(ccc3)cccc1)ccc2	PC-id_86109523	280.362	HSVPREPOXQSWCZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025198
CN(CC1CCSc2c(C1=O)cc(s2)N)C	PC-id_139806856	256.388	NEMMPJXBFQDHKY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016882
S1CCC(C[N+](C)(C)C)C(=O)c2c1scc2	PC-id_10524011	256.407	BAVCPRWOPJXLGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016883
n1c2CCCCCc2sc1[C@@H](CCSC)N	MCULE-5664043802,PC-id_83317034	256.431	YVZZWPJYMLJSLE-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016884
s1c2CCCCCc2nc1C(N)CCSC	PC-id_83317029	256.431	YVZZWPJYMLJSLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016885
[Si](C(C)(C)C)(c1c(c2-c(c1)ccccc2)C)(C)C	PC-id_85575575	256.458	DJYYIPUTVNDGTH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016886
s1c(=S)sc2SCSCSc12	TIMTEC150321,PC-id_3509761,ZINC22_5185475,MCULE-2174731461	256.475	FNJMUDIOIVOUGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016887
Clc1c2CNNCCc2sc1C(F)(F)F	SCHEMBL5552513,PC-id_69484731	256.676	ZYANFNZVYZADDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016888
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Clc1n(nc2CCCCCc12)CC(=O)OCC	PC-id_66016898	256.729	YOFSQBPQYNJSSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016890
ClCCCN1CC[C@H](O)c2n(ccc2C1=O)C	PC-id_15511797,SCHEMBL7249653	256.729	OCHHDHVOCPMWFV-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-016891
ClCCCN1CCC(O)c2n(ccc2C1=O)C	SCHEMBL6769967,PC-id_10777510	256.729	OCHHDHVOCPMWFV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016892
ClCC(=O)NC(c1n2CCCCCc2nn1)C	EMOLS-id_37356252,PC-id_43424772	256.732	SYUUYHFOFCYWEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016893
N#CC(CSc1nnc2n1CCCCC2)Cl	EMOLS-id_314438539,PC-id_104309209	256.755	JJRRHJQMHGBMON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016894
C1CN(CCC2=C1C(=C(S2)C(=O)O)O)C(=O)O	PC-id_153817965	257.036	BXSXMCQMSYZFAC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016895
Ic1c[nH]c2c1CC=CC=C2	PC-id_142224434	257.071	IYIRAMMNDVVZNQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-016896
Brc1c2C(=O)CCNC(=O)c2n(c1)C	PC-id_139070904,2211444_OpenMolecule,CT-id_2211444	257.084	VUOMLVXMVSKYRN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016897
Brc1n(c2c(C(=O)CCNC2=O)c1)C	PC-id_9992605	257.084	YRINYVSNAFJTJT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016898
Brc1[nH]c(c2c1CCCNC2=O)C=O	PC-id_82623479	257.084	SMGIKVLEWMTSII-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016899
Brc1[nH]c(c2CCCNC(=O)c12)C=O	PC-id_82623478	257.084	OTVJJPWCSZOARR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016900
NC(=O)c1c(Br)nn2CC=CCNc12	EMOLS-id_324021962	257.087	NZWYWHHJUYIAAV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016901
C1CN(CCc2c1nc(o2)N)C(=O)c1ccccc1	PC-id_163564242	257.116	YRZTULCIQBEAGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016902
Brc1n(c2c(CCN(CC2=O)C)c1)C	PC-id_83488571	257.127	MYZOTHMQLBYSCT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016903
Brc1[nH]c2CCN(CCc2c1)C(=O)C	PC-id_82380524	257.127	NIVFEQXJJFAAGM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016904
Brc1[nH]c2CC(N(CC(=O)c2c1)C)C	PC-id_82380518	257.127	BLHLHIFXLCQQHY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016905
CC(=O)N1CCc2c(CC1)c[nH]c2Br	PC-id_97751479	257.127	BZWJNYVCTUUPDB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016906
COC1CCC(=C)c2cc(nn2C1)Br	PC-id_135343362,SCHEMBL20517718	257.127	MSWQYSYVHIPLFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016907
O=C1CCCc2c(N1)c(C)c(n2C)Br	PC-id_96259550	257.127	OSSIFFJOJYGGPG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016908
CC(C)C(=O)C1(C=C(C=C2C=CN(C2=C1)C)C=O)C	PC-id_153559371	257.142	KHFGRVCHZJLMIW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-016909
CC(C)N(CCO)C(=O)C1=CC2=CC=CC=CC2=C1	PC-id_153911395	257.142	MYABFGKNYDTKFJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016910
C1CCN(C1)CCCN2C3=CC=CC=CC3=NC2=O	PC-id_154370449	257.153	MDZFSWYBCWIEQY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-016911
O=C1Oc2occc2OC(=O)C(C1O)(O)C(=O)N	PC-id_141897595	257.154	TZOBWAGPTLBESL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016912
Brc1n2CCCCCc2nc1C(C)C	PC-id_83681534	257.17	FVILUKNGQNYOSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016913
Brc1n(c2c(C(CN(CC2)C)C)c1)C	PC-id_83488572	257.17	SYEZRWJYLHAVSL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016914
CN1CCc2c(C(C1)(C)C)cc([nH]2)Br	PC-id_97751438	257.17	YKALEVCAHRNCQR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016915
C=C1CCCCc2c1sc(c2Br)C	PC-id_138977428	257.19	CKYDTDGSRMSESO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016916
o1c2CCCN(N(O)O)C(=O)c2c(c1N([O-])[O-])C	PC-id_54695433	257.2	RVBFFHSPJGJMDF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016917
s1c2CCCN([N+](=O)[O-])C(=O)c2cc1[N+](=O)[O-]	PC-id_71398442	257.223	UVPXRWWJSXFVDO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016918
OCC(Nc1nc2-c(c1C#N)ccccc2)C(=O)O	PC-id_11777214	257.245	ZBTGTTCJLOBMQW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016919
C1C(=O)Nc2c(NC1=O)n(nn2)Cc1ccccc1	PC-id_135511832	257.248	LXKIHHHHSDTHPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016920
O=C1NCC(=O)Nc2nnn(c12)Cc1ccccc1	PC-id_561268	257.248	HUVSJNCFQLMTON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016921
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FC(n1nc2n(CCCCC2)c1=O)C(=O)OCC	PC-id_81297597	257.261	YXFHQPDBAPKTCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016923
C1CN(C=Cc2c1[nH]cn2)C(=O)c1ccc(cc1)F	PC-id_90883466	257.263	CAIVDUXRGSEVKN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-016924
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CC(C(F)F)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319665530	257.28	YPMMADCLAJPTPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016926
OC1CCCn2c(N1C)cc(n2)C[C@H]1CC1(F)F	SCHEMBL19659849	257.28	VKIKEPHLFAJRIQ-YMNIQAILSA-N	00100000100000000101000000000010000000000000000000000000	31-01-016927
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O=C(N[C@@H](C)C(=O)O)c1c2-c(c(cccc2)C)cc1	PC-id_9795090	257.284	JKKHFKUVDBNCCY-JTQLQIEISA-N	00000010100000000110000000000010000000000000000000000000	31-01-016931
C1CCC(=O)c2c(C1)nc(o2)COc1ccccc1	SCHEMBL15277206,PC-id_89819218	257.285	KLUQCRSSFGGBKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016932
CC(C)OC(=O)c1cc2-c(ccccc2)c1C(=O)N	SCHEMBL16105695,PC-id_90465434	257.285	FIMRBAXPGVXFLM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016933
CCOC(=O)c1c(N)c(c2-c1ccccc2)C(=O)C	PC-id_102009727	257.285	KRKAFVNLXDTACM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016934
o1c2c(n(c1=O)C(=O)c1ccccc1)CCCCC2	PC-id_85918863	257.285	GMGXYIFDWWCIIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016935
OC(=O)[C@@H](N(c1c2-c(cc1)ccccc2)C(=O)C)C	PC-id_53793444	257.285	FDLFNWBHSXTDJH-JTQLQIEISA-N	00000010100000000110000000000010000000000000000000000000	31-01-016936
OC(=O)C(N(c1c2-c(cc1)ccccc2)C(=O)C)C	PC-id_76069519	257.285	FDLFNWBHSXTDJH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016937
c12C(=O)NCCCc1[nH]c(Cc1ccc(cc1)O)n2	MCULE-8589861985,EMOLS-id_46621574,PC-id_72881315,ZINC22_95369060	257.288	KIOSJAHUXALBKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016938
c12C(=O)NCCCc1[nH]c(COc1ccccc1)n2	PC-id_72857408,MCULE-8711866665,EMOLS-id_46609328,ZINC22_95359600	257.288	KHMVLCMPTROZDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016939
C1CNC(=O)c2cc(nn2C1)COc1ccccc1	PC-id_86706500	257.288	PYNYNFRUSDTRCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016940
c1(C(=O)Nc2ccccn2)c2CCCCCc2on1	MCULE-6194699941,EMOLS-id_29923601,STOCK6S-88756,PC-id_45492361,ZINC22_36357487	257.288	GNHFLINCKNITJZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016941
c1(C(=O)Nc2cccnc2)c2CCCCCc2on1	CHEMBL1467184,ChEMBL-DNDi_CHEMBL1467184,TIMTEC454015,PC-id_3244722,MCULE-4171719693,CHEBI:116967,ZINC22_426580,EMOLS-id_2594006,BindingDB-id_118565,BindingDB_PC-id_3244722,STOCK6S-93326	257.288	SODSBCFRVVPIKS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016942
c1(C(=O)Nc2ccncc2)c2CCCCCc2on1	STOCK7S-16205,ZINC22_61721555,PC-id_52902373,EMOLS-id_35790244,MCULE-1991326509	257.288	AIUYCKUJYLBQGK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016943
Cc1ccc(C(=O)N2CCCc3occc3C2)nn1	ZINC22_333988459,EMOLS-id_101676041,MCULE-3948687374	257.288	IDWRTRADCBYDGC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-016944
CN(C(=O)Cn1c(=O)nc2-c1ccccc2)C1CC1	EMOLS-id_319752737	257.288	XCSLYGCTAWFOMO-UHFFFAOYSA-N	00100010100000000111000000000010000000000000000000000000	31-01-016945
O=C1NCCCn2c1cc(n2)OCc1ccccc1	SCHEMBL16270079,PC-id_72714886	257.288	DAXIMGSWGOGTPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016946
O=C(N1CCc2c(CC1)nc[nH]2)Oc1ccccc1	PC-id_142022553	257.288	HFWGZEWIJGVUQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016947
Cc1ccnc(c1)C(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319507479	257.291	SSEXNXDDJKVDEZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016948
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncnc1	EMOLS-id_319756460	257.291	RHPKHSSJESDBBK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-016949
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncccn1	EMOLS-id_319628974	257.291	GQIXJRMYQMUTDT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-016950
O=C1N(CCCc2n1nc(n2)Nc1ccccc1)C	PC-id_555103	257.291	XMTSILSPIDIUFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016951
O=C(c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102171533	257.291	CNNLACGPBJKJEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016952
Fc1ccc(Cn2cc3CCCCC(=O)c3c2)cc1	PC-id_83206825	257.303	GUFVFMDZZSVUBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016953
Fc1cc(Cn2cc3CCCCC(=O)c3c2)ccc1	PC-id_83205722	257.303	NWGLLXVGASBSHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016954
Fc1c(Cn2cc3CCCCC(=O)c3c2)cccc1	PC-id_83207808	257.303	GSTORGOTCRUVLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016955
CCOC(=O)ON1CCc2c([C@@H](C1)O)ccs2	PC-id_69041034,SCHEMBL4430893	257.306	HFYAXRTVKMTNEI-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016956
COc1c(CO)sc2c1CCN(CC2)C(=O)O	PC-id_70886743,SCHEMBL13354788	257.306	RUKZDSFZUHOLHR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016957
COC1CN(C)CCc2c1cc(s2)OC(=O)O	PC-id_69043285,SCHEMBL4435809	257.306	BWOXQCPKJIGRGM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016958
O=S(=O)(C1COC1)N1CCCc2occc2C1	MCULE-1925157354,EMOLS-id_102882874,ZINC22_288301373	257.306	DENWGDKDOBZEFZ-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-016959
s1c2c(C(O)CN(OC(=O)OCC)CC2)cc1	PC-id_77593641	257.306	HFYAXRTVKMTNEI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-016960
CCc1nn(c2c1NC(=O)C(CS2(=O)=O)C)C	PC-id_105357234	257.309	PIJYNTQMFQGNNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016961
CCCc1nn(c2c1NC(=O)CCS2(=O)=O)C	PC-id_105357073	257.309	VCGUPERNNKTVKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016962
C[C@H]1OC=Cc2c(C1)n(nc2)S(=O)(=O)N(C)C	PC-id_142592563	257.309	GFBUJTHIVYYLFN-MRVPVSSYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016963
CCn1nc(c2c1S(=O)(=O)CC(C(=O)N2)C)C	PC-id_105357254	257.309	BUEBBLYJLILHRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016964
O=C1NCCCn2c1cc(c2)S(=O)(=O)N(C)C	PC-id_53182845	257.309	OTZRYQYDUXVOKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016965
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)C	EMOLS-id_112056917	257.309	SOGPVGGPBRELNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016966
CCCCCc1ccc2-c1cc(ccc2)C(=O)NO	PC-id_141580575	257.328	SAZPFUOIDYUYMF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016967
CNc1ccc2-c(cc1)cc(c2)C(=O)OC(C)(C)C	PC-id_102001515	257.328	BIJRMZWPZBDABW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016968
CN(CCCOC(=O)c1cc2-c(c1)ccccc2)C	SCHEMBL6208445,PC-id_69704510	257.328	KNCXKKSLIGMYEM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016969
OC1c2c(CCCC1)cn(c2)Cc1ccc(O)cc1	PC-id_83208251	257.328	JLJHCZJBONXUAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016970
OC1c2c(CCCC1)cn(c2)Cc1cc(O)ccc1	PC-id_83208241	257.328	XYPVYPDFRSUJTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-016971
O(C(=O)c1c2-c(c(CCCCN)c1)ccccc2)C	PC-id_10244204	257.328	FPGQZGUADCSWEB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016972
ON(c1cc2-c(ccc2CCCCC)ccc1)C=O	PC-id_57136095	257.328	NQCPYDHCBUBSGW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016973
ON(c1cc2-c(ccc2CCC(C)C)ccc1)C=O	PC-id_57186995	257.328	IHUIBLBHDYPGRM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016974
ONC(=O)c1cccc2-c(c1)c(CCC(C)C)cc2	PC-id_141580596	257.328	MHSYZEZNAKEEKC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-016975
N1=CC=CC1=CC=CC=Cc1c2-c(cc1)ccccc2	PC-id_85530909	257.329	CPLMNIXMANHLNI-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-016976
Cc1ccccc1Cn1nc2n(c1=O)CCCCC2	PC-id_110876295	257.331	AQNGCENTAAYLJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016977
Cc1cccc(Cn2nc3CCCCCn3c2=O)c1	PC-id_110876296,MCULE-3179699950,EMOLS-id_48461809	257.331	RFKMHPYKGPSSBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016978
Cc1cccc(OCc2nnc3CCCCCn23)c1	EMOLS-id_31846229,ZINC22_2656412,PC-id_2120112,MCULE-3111729283	257.331	DGJMKCZEWGEXGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016979
Cc1ccc(OCc2nc3CCCCCn3n2)cc1	CoCoCo_6601921,ZINC22_28527816,MCULE-1411596688,PC-id_35754636,EMOLS-id_32194837	257.331	ZRZHTKCPWSSEOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016980
Cc1ccc(OCc2nnc3CCCCCn23)cc1	MCULE-9835416913,ZINC22_4518194,EMOLS-id_4981413,CoCoCo_5871691,PC-id_7267321	257.331	QVEMGAVIMNXGRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016981
Cn1c2c(c(=O)n1Cc1ccccc1)CCNCC2	PC-id_45484726,BindingDB_PC-id_45484726,CHEMBL576912	257.331	UMCHVGPMZOXWPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016982
CN1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_248140149	257.331	QABPXBSHNGWTSY-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016983
CN1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_248140151	257.331	QABPXBSHNGWTSY-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016984
CN1CCCn2c(C1)cc(n2)OCc1ccccc1	PC-id_145687990	257.331	QRUQPCFANGHXGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016985
CN1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_50007964	257.331	QABPXBSHNGWTSY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-016986
Cn1ncc(c1)CCn1cc2c(c1)CCCCC2=O	PC-id_113763505	257.331	ODVLNJPNCLNJSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016987
COc1ccc(Cc2nnc3CCCCCn23)cc1	MCULE-8848143668,EMOLS-id_324810764	257.331	JKXPJZAZFLOCIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016988
n12CCCCCc1nnc2CCc1ccccc1O	ZINC22_1772807996,MCULE-1197921649,EMOLS-id_317910183	257.331	DTYMVLPXECEALI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016989
N/C=CC=CC1C/C=CNCCn2c1cc(c2)C=O	PC-id_144264864	257.331	SKFDQNGSDUKDDN-FVUYKIACSA-N	00000000100000000111000000000010000000000000000000000000	31-01-016990
o1nc2CCN(CCc2c1CN)Cc1ccccc1	PC-id_83870735	257.331	FZOVCJSTWLRVOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016991
o1nc2CCN(CCc2c1NC)Cc1ccccc1	PC-id_83870731	257.331	GQPCHGLDNFEPDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-016992
O=C1c2c(CCCC1)cn(c2)Cc1cn(nc1)CC	PC-id_83205590	257.331	BVBCXKZJHGEOIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016993
O=C1c2c(CCCC1)cn(c2)Cc1n(CC)ccn1	PC-id_83208372	257.331	FYYIQNPYXUCTDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016994
O=C1c2c(CCCC1)cn(c2)Cc1n(CC)cnc1	PC-id_83206535	257.331	HZDHREITIOVFCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016995
O=C1c2c(CCCC1)cn(c2)Cc1n(nc(c1)C)C	PC-id_83206393	257.331	VMUOCEHLJSKLQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016996
O=C1c2c(CCCC1)cn(CCCn1ccnc1)c2	PC-id_83207709	257.331	BEYSGFBOONTECC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016997
O=C1c2c(CCCC1)cn(CCn1c(ncc1)C)c2	PC-id_83207383	257.331	KUTFHVXSZHVJOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016998
O=C1CCCCc2c1cn(c2)CCc1ccnn1C	PC-id_103005405	257.331	HXZZMSLJVLRSIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-016999
O=C1CCCCc2c1cn(c2)CCc1nccn1C	PC-id_113596622	257.331	RRXTVSRRTVLGRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017000
O(Cc1n2CCCCCc2nn1)c1c(cccc1)C	PC-id_33701871	257.331	BBNUKIICAZQTEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017001
c1ccc(NCCc2nnc3n2CCNCC3)cc1	EMOLS-id_337822082,MCULE-7824345390,ZINC22_2356168926	257.334	HVNCADSQEHJLKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017002
C1CN(Cc2ncn(c2)C2CC2)Cc2c(C1)n[nH]c2	EMOLS-id_319607828	257.334	UQVHPEJDSRXEQE-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-017003
c1(nnc2CCCCCn12)C(=C1CCCCN1)C#N	MCULE-7263888639	257.334	AMBHGIWMAVNVCP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017004
Cc1cccc(NCc2nnc3n2CCCCC3)n1	ZINC22_156952145,EMOLS-id_50350327,MCULE-7668817119,PC-id_91648826	257.334	JTHUPIHFDNOIRY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017005
Cc1ccc(nn1)CN1CCCc2c(C1)cnn2C	MCULE-7038570181,EMOLS-id_319971534	257.334	RKBBTWAYXUIUNB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017006
Cc1ccnc(c1CN1CCCc2c(C1)c[nH]n2)N	EMOLS-id_278259437	257.334	FEGPYZSSAFFWSW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017007
CC1CN(Cc2cccc(n2)N)Cc2c(C1)[nH]nc2	EMOLS-id_319120985	257.334	DJNIIQBZGNGZTC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017008
CC1CN(Cc2ccnc(c2)N)Cc2c(C1)[nH]nc2	EMOLS-id_319626566	257.334	QGDHPGYFYNREHQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017009
Cc1cncc(NCc2n[nH]c3c2CCCCC3)n1	EMOLS-id_316248345,ZINC22_1506400537,MCULE-7396744371	257.334	VSDAROJNAISVHZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017010
Cc1ncc(c(n1)C)CN1CCCc2c(C1)c[nH]n2	EMOLS-id_320094683,MCULE-1115229751	257.334	KFQGQYBKKWLECK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017011
Cc1nccnc1NCc1n[nH]c2c1CCCCC2	PC-id_56858377,EMOLS-id_232770181,MCULE-5023189048,ZINC22_200590935	257.334	TVBFEHKSLQHFET-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017012
CN1CCc2ncc(CNc3ccccn3)n2CC1	ZINC22_96197118,EMOLS-id_44329159,PC-id_97467261	257.334	OANDGRJIDWGRAM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017013
CN(c1ncccn1)Cc1[nH]nc2c1CCCCC2	CoCoCo_1600616,PC-id_39834210,CoCoCo_1600617	257.334	NRQRBPXQXDZKIT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017014
C(#N)/C(=C/1CCCCN1)/c1nnc2CCCCCn12	EMOLS-id_206919624,MCULE-9394133502	257.334	AMBHGIWMAVNVCP-QXMHVHEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017015
N12CCCCCC1=NN/C/2=C(C1=NCCCC1)/C#N	PC-id_6096438	257.334	KOOIRGWYYJLWFW-SDNWHVSQSA-N	00000011000011000111000000000010000000000000000000000000	31-01-017016
N12CCCCCC1=NN/C/2=C(/C1=NCCCC1)C#N	PC-id_6229078	257.334	KOOIRGWYYJLWFW-KAMYIIQDSA-N	00000011000011000111000000000010000000000000000000000000	31-01-017017
N12CCCCCC1=NNC2=C(C1=NCCCC1)C#N	PC-id_6840297	257.334	KOOIRGWYYJLWFW-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-017018
n12CCCCCc1nnc2C(C1=NCCCC1)C#N	PC-id_78460183	257.334	HDSHQVSCIVEECN-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-017019
n12CCCCCc1nnc2[C@H](C1=NCCCC1)C#N	PC-id_7200795	257.334	HDSHQVSCIVEECN-NSHDSACASA-N	00000000100011000101000000000010000000000000000000000000	31-01-017020
N1(CCNCC1)CCNc1nc2-c(n1)ccccc2	PC-id_85672415	257.334	WEDSVZMDSNHBAY-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-017021
N#C/C(=C
/CCCCN1)/c1nnc2CCCCCn12	PC-id_135648664,EMOLS-id_46441230	257.334	AMBHGIWMAVNVCP-VAWYXSNFSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017022
OC1CCCCc2c1cn(c2)CCS(=O)(=O)C	EMOLS-id_316006877,PC-id_83207949	257.349	ZZVJLMZKQWVIEY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017023
O=C(c1cc2c(s1)CCCCC2)c1cccnc1	PC-id_113655997	257.351	PDTMBGKKHNYTKS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-017024
O=C(N1CCCCc2c1ccs2)c1ccccc1	PC-id_140983481	257.351	CKSQMBXKUTYXFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-017025
s1c2CCCCCc2nc1C(=O)c1ccccc1	PC-id_55167881	257.351	YXCJJVUMONJCGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017026
CC1CN(CCS(=O)(=O)C)Cc2c(C1)[nH]nc2	EMOLS-id_319724209	257.352	MIASEMNYUDPJJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017027
Cc1[nH]nc2c1CN(CCC2)S(=O)(=O)C(C)C	SCHEMBL17518080,PC-id_118882453	257.352	UEYXOVKPROENER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017028
CC(c1n[nH]c2c1CN(CCC2)S(=O)(=O)C)C	SCHEMBL17465955,PC-id_118684210	257.352	RTVZEURYKJSNGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017029
CCc1n[nH]c2c1CN(CCC2)S(=O)(=O)CC	SCHEMBL20053807,PC-id_134420841	257.352	AFKVDPFXYRUKEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017030
CCCc1nn(c2c1NCC(CS2(=O)=O)C)C	PC-id_105357414	257.352	DUSQDPIIINXCBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017031
CCCS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319481190	257.352	HKTNDJDTVYVPDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017032
CCn1nc(c2c1CCCN(C2)S(=O)(=O)C)C	SCHEMBL17232786,PC-id_118491750	257.352	MIEQGZKQQMSXIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017033
COCC(CSc1nnc2n1CCCCC2)O	EMOLS-id_40113763,PC-id_63931314	257.352	SCQDKWJXBQSDBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017034
NC1CCCCc2c1cnn2CCS(=O)(=O)C	PC-id_113952795	257.352	HVVTYMWBPHNOEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017035
OCCOCCSc1nnc2n1CCCCC2	EMOLS-id_38062106,PC-id_61076064	257.352	QLHCMBVQEMNSRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017036
S(c1n2CCCCCc2nn1)CC(OC)OC	PC-id_66223651	257.352	OKDLLKNNDXEPPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017037
s1c2CCCN=C(NNc3ccccc3)c2cc1	PC-id_10355119	257.354	JHYCHYUOHWTVOE-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-017038
s1c2NCCCCc2nc1C=Cc1ncccc1	PC-id_85624888	257.354	XHQVJOCTWTXFSF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017039
CN(CCCOc1ccccc2-c1c(C)cc2C)C	PC-id_59301617,SCHEMBL3291558	257.371	JPRCFHRPDZKGRI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017040
O=C1c2cn(CC3C4CC(C3)CC4)cc2CCCC1	PC-id_83206689	257.371	UWZLGLGFJPCLNH-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-017041
CCOC(=O)c1c(N)sc2c1CCCSC2	SCHEMBL8199434,PC-id_59379492	257.372	JTYKKCXMXZMIAT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017042
CSC1NCCOc2c1sc(c2C(=O)C)C	PC-id_139776170	257.372	IEUSNHUQJATCIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017043
OC(=O)CSc1sc2c(n1)CCCCCC2	PC-id_64307070,EMOLS-id_40428820	257.372	JKEDDUXHHFBVRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017044
s1c2c(n(CCCCC(=O)OCC2)c1=S)C	PC-id_11777245	257.372	OQJRHEJGTMTNTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017045
n1(CC2(CC2)CC#N)cc2c(c1)CCCCC2NC	PC-id_83207796	257.374	AGGGPWQIBAUONG-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-017046
c1ccc(cc1)NCc1cc2c(s1)CCCCC2	EMOLS-id_314065809,PC-id_54888681	257.394	PHAJUJQSIZPGDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-017047
c1ccc(CNC2CCc3ccsc3CC2)cc1	CHEMBL4574247	257.394	SOHPJHUUWFSKDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-017048
s1c2c(CCCCC2)cc1C(N)c1ccccc1	PC-id_43384322	257.394	PODGSVUBIMKPFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-017049
CCC(C1=CC(C)(C=Cc2c1[nH]cc2)C(CC)C)C	SCHEMBL20910510,PC-id_138554348	257.414	VKVCIFJBZFVBRA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017050
C=C/C=c/1c(=C/C)[nH]c2c1CCCC(CC2(C)C)C	PC-id_138718072,SCHEMBL21095934	257.414	BMPYRXHMKFVVGN-NWGGLNEHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017051
CCCCCc1c(c2=CC(C=CC=c2[nH]1)(C)C)CC	PC-id_91244010	257.414	XXHSMHFSYUIUHI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017052
CC1CCSCc2c(CS1)nn(n2)C(C)C	SCHEMBL19841571,PC-id_134233192	257.419	SRPQQTDSSZGGJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017053
S(c1n2CCCCCc2nn1)CCCCS	PC-id_80041072,EMOLS-id_314365842	257.419	UFGKRYMALQCCRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017054
S(c1n2CCCCCc2nn1)CC(CS)C	EMOLS-id_314311761,PC-id_80040955	257.419	FXCMTVOLNFDMRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017055
CC(=O)N1CCCc2c(C1)sc(c2)C(Cl)C	PC-id_21471891,SCHEMBL8991811	257.78	YYQZRAHGMXJJAD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017056
ClCCc1cc2c(s1)CN(CCC2)C(=O)C	PC-id_53791231,SCHEMBL8918612	257.78	FBZGJPJDSUDOSN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017057
ClCCc1sc2c(c1CC)NC(=O)CCC2	PC-id_21472022,SCHEMBL8916870	257.78	UXRAVRCGUXFJBS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017058
ClCCCCN1c2c(scc2)CCCC1=O	PC-id_19881072,SCHEMBL9037866	257.78	RILFMVHXCQKAAL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017059
ClCCCCN1CCCc2c(C1=O)ccs2	PC-id_19881152,SCHEMBL9039750	257.78	OGFFTFRHKDPOAM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017060
ClCCNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_38192706,PC-id_61289085	257.78	UPJXNIXSRBWRHI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017061
ClCC=CCSc1n2CCCCCc2nn1	EMOLS-id_40701559,PC-id_77051562	257.783	UQERZNBRDYKMFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017062
ClC/C=C/CSc1n2CCCCCc2nn1	PC-id_64681895	257.783	UQERZNBRDYKMFB-HWKANZROSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017063
ClCC(=C)CSc1nnc2n1CCCCC2	PC-id_103066260	257.783	ODYPQIXJHOIMBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017064
Clc1sc2CCCCCCCCCCc2n1	PC-id_63520657	257.823	QRXBQTGFOLVYAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017065
C1CN(CCC2=C1C=C(O2)Br)C(=O)[O-]	PC-id_153800394	257.977	KVZVGFZSOUKYHX-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-017066
COC1=NC[C@H](CN2C1=CC(=C2)Br)O	PC-id_165375760	258	WSHJSYGIYUEBQA-SSDOTTSWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017067
Brc1oc(c2c1CCCNC2=O)C=O	PC-id_82623536	258.069	MNOXRJKNEWXCJK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017068
Brc1oc(c2CCCNC(=O)c12)C=O	PC-id_82623535	258.069	QKBWFQKMTLFZBU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017069
CN1CC(=O)c2cc(Br)nn2CC1=O	PC-id_135342731,EMOLS-id_330546852,SCHEMBL20517037	258.072	BOOKXGVJFRZZLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017070
BrC1C(=O)N(c2n(N=C1C)cnn2)C	PC-id_12554230	258.075	LSEURYOZXHGOKI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017071
Brc1n2N=C(CC(=O)N(c2nn1)C)C	PC-id_12554243	258.075	MPCDGHNVKJFSBG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017072
C1=CC=C2C=CC(=C2C=C1)/C=C/C(=O)C3=CC=CC=C3	PC-id_165348842	258.104	NOGKDDMRYHDZBS-BUHFOSPRSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017073
Brc1cc2n(CCCCC2C(=O)O)c1	PC-id_82665418	258.112	IDUWZSHGPQGTIJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017074
Brc1oc2c(CC(N(CC2=O)C)C)c1	PC-id_82380424	258.112	ANWPTJROICUCMT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017075
Brc1oc2CCN(CCc2c1)C(=O)C	PC-id_82380427	258.112	PKRCKXOJVQZMAD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017076
Brc1oc2CC(N(CC(=O)c2c1)C)C	PC-id_82380423	258.112	RRHXJRAZBCYDRV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017077
BrCC1=CCCCc2c1onc2OC	PC-id_86246811	258.112	HWIUGDGEOFVNAO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017078
BrCC1=CCCCc2onc(OC)c12	PC-id_86246812	258.112	BNOASFVYANCACD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017079
C1CN(CCc2c1nc(o2)N)C(=O)c1ccncc1	PC-id_164059559	258.112	GGVZSHOXFCUNBP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017080
Brc1cn2c(c1)N(C)C(=O)C(CC2)N	SCHEMBL19224565	258.115	LIGWBRASIHLISO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017081
BrCC(=O)N1CCCc2c(C1)cn[nH]2	MCULE-8198184666	258.115	RGRGDCVGMKZJFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017082
CC1(C)Cc2cc(Br)nn2CC(=O)N1	EMOLS-id_336520059,PC-id_135342897,SCHEMBL20517217,MCULE-4882048228	258.115	MUPAPWASXGZNFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017083
CCN1CCc2cc(nn2CC1=O)Br	SCHEMBL20517168,PC-id_135342851	258.115	SDCFDICWMOWFHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017084
CN1CCCn2c(c(nc2Br)C=O)C1	SCHEMBL12883198,PC-id_88974588	258.115	CIWIYJMXKGGUJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017085
CN1C(=O)C(C)CCn2c1cc(n2)Br	SCHEMBL19658693	258.115	UFZDGZRCOFEXQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017086
O=C1CCCn2c(N1C)c(C)nc2Br	SCHEMBL18367149	258.115	IIHNPYURWCPBLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017087
CC1C=Cc2c(N=C1)c(c(s2)O)Br	PC-id_143306211	258.135	SWFNRKQEQUECAL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017088
CC(/C=C/C1=CC=CC=C1)C2=C3C=CC=CC=C3C=C2	PC-id_164669404	258.141	WTDAPLVBHKCSQD-OUKQBFOZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017089
Cl/C(=C/Cl)/Cn1cc2CCCCC(=O)c2c1	PC-id_83206384	258.144	WUTLICRDZRJQOJ-BJMVGYQFSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017090
ClC=C(Cn1cc2c(c1)CCCCC2=O)Cl	EMOLS-id_315760788	258.144	WUTLICRDZRJQOJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017091
Brc1oc2C(C(C)C)CCNCc2c1	PC-id_83693489	258.155	WGPPZSWLRXMGTM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017092
Brc1oc2c(C(CN(CC2)C)(C)C)c1	PC-id_82380405	258.155	PLTMTGJFWNFVMR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017093
c12-c(ccc(cc1)C=Cc1ccc3-c(cc1)ccc3)ccc2	PC-id_86109527	280.362	PQZOVBDRLXTHTN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025199
Brc1oc2c(C(NCCC2)C(C)C)c1	PC-id_83693490	258.155	DUNXPUUCUSGLAS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017094
Brc1c2n(nc1C(C)C)CCCNC2	PC-id_83901688	258.158	NUCZNLPGNJSPRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017095
Brc1c2n(nc1C(C)C)CCNCC2	PC-id_83901687	258.158	AKHJEJOJSBHLJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017096
Brc1cc2n(n1)CCN(CC2)C(C)C	PC-id_135349700,SCHEMBL20525164	258.158	CULGMZCYQSPWCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017097
CCOC(=O)c1c(C)c(=O)cnc2c(C#N)cnn12	NSC348735,ZINC22_1580593,CoCoCo_5614503,PC-id_335971	258.233	LKYFEMNLYPYDQF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017098
O=C(CC(=O)O)OC1COc2c(OC1)csc2	SCHEMBL17169074,PC-id_118440862	258.248	AQWRGVTYXGJCCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017099
s1c(c2OCCCCOc2c1C(=O)O)C(=O)O	PC-id_85768690	258.248	PYAXKOAEQBPBIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017100
FC(C(=O)NC(c1nnc2n1CCCCC2)C)F	PC-id_103515063	258.268	XXZMSUUDKFHWCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017101
CCOC(=O)c1c(C)c(c2-c1ccccc2)C(=O)O	PC-id_139790788	258.269	KZNIHCKLFDBVBE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017102
CCOC(=O)c1cccc2-c(c1)c(cc2)C(=O)OC	PC-id_141580515	258.269	PJBSTJHBQNMMMK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017103
CCOC(=O)c1cccc2-c(c1)ccc2C(=O)OC	PC-id_141580538	258.269	YOAFZSXTPLCKAN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017104
O(C(=O)c1c2-c(c(c1C)C(=O)OC)ccccc2)C	PC-id_12683674	258.269	IFZOLTWWICPHKX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017105
O(C(=O)c1c2-c(cc1C(=O)OC)ccc(cc2)C)C	PC-id_14961859	258.269	XTTAOZKERKPCSN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017106
O(C(=O)c1c(c2-c(c1C(=O)OC)ccccc2)C)C	PC-id_14003807	258.269	JRMORIINCADAOK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017107
O(C(=O)c1c(cc2-c1ccccc2)CC(=O)OC)C	PC-id_14972945	258.269	CMUKVZKKXGLVQH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017108
o1c2c(nc1COc1ccccc1)CCCNC2=O	PC-id_71730759,SCHEMBL15229219	258.273	FCEQNRSYFJHXBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017109
O(C(=O)c1c2-c(c(c1N)C(=O)N)ccccc2)CC	PC-id_12693492	258.273	WMKLDALXLYBTNJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017110
O(C(=O)c1c2-c(nc1NC(=O)C)ccccc2)CC	PC-id_15014746	258.273	FREOGZDTRDNUEY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017111
C1C(Nc2c(cnn2Cc2ccccc2)C(=O)N1)O	PC-id_137211363	258.276	MISBUDZEYGDYFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017112
N/C(=Nc1nc2c(o1)C=CCC=C2)/NC(=O)C1CC1	PC-id_143204720	258.276	NZLIOTCFDRGMAS-UHFFFAOYSA-N	00100000100000000111000000000010000000000000000000000000	31-01-017113
O1CCN(NC(=O)c2nnc3-c2ccccc3)CC1	PC-id_68963766,SCHEMBL4224936	258.276	XSQQPVSRYTYSRW-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-017114
OC1Nc2n(Cc3ccccc3)cnc2C(=O)NC1	PC-id_71770019	258.276	QIRQRPZTAMAHEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017115
O=C1NCC(c2c(N1)n(cn2)Cc1ccccc1)O	PC-id_101713084	258.276	ZHFYBXZLCZGWOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017116
c12CN(CCCn1nc(C#N)c2)Cc1c(C)non1	ZINC22_670461324,EMOLS-id_222780985,MCULE-6655793976	258.279	XDSHEQSGLZMPMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017117
C/C=C(C=C/C(=C)n1ncc2=CC(=CCC=c12)O)/F	PC-id_143701134	258.291	OIGMICQYBVOSNJ-VAEYCCDYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017118
Fc1cccc(c1)Cn1ncc2c1CCCCC2=O	PC-id_107384237	258.291	HXIZDOFYOIRUCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017119
Fc1ccc(cc1)Cn1ncc2c1CCCCC2=O	PC-id_113952764	258.291	XSTSYNUJPNDUIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017120
Fc1cncc(c1)Cn1cc2c(c1)CCCCC2=O	PC-id_105571001	258.291	JJMYRFDDGYOMLX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-017121
Fn1cc2c(n1)N(CCCC2=C)Cc1ccncc1	PC-id_144315306	258.294	IQSZXGFIGIEAHP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017122
O=C(c1noc2c1CCCCC2)NS(=O)(=O)C	EMOLS-id_112071976	258.294	ZIEUREHHAWVJBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017123
O=C1NC(=O)/C(=C/c2c[nH]c3c2C=CC=CC3)/S1	PC-id_143165845	258.296	ATNKHMWKHXHUQL-WDZFZDKYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-017124
CC(C(F)F)NC(c1nnc2n1CCCCC2)C	PC-id_113746932	258.311	FLGQPEOJIDOGJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017125
CC1(C)OC[C@@H](O1)COc1ccc2-c1ccccc2	PC-id_102296778	258.312	RGGJMDOOJAQABV-ZDUSSCGKSA-N	00000010100000000111000000000010000000000000000000000000	31-01-017126
CC(C)c1cccc2-c(c(c(c2)OC)C(=O)OC)c1	PC-id_85990393	258.312	NDFOYMCEPCAIIF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017127
CCCCc1ccc2-c1cc(ccc2)OC(=O)OC	SCHEMBL8332171,PC-id_17776156	258.312	SUCRFXNUUFSXPB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017128
CCCCOc1cc(ccc2-c1ccc2)CC(=O)O	SCHEMBL8336168,PC-id_67555279	258.312	LIVGMKIOIDIHIJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017129
CCOC(=O)c1c(O)cc2-c1cc(ccc2)C(C)C	PC-id_101915789	258.312	FWPDNRPABROVHP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017130
CCOC(=O)c1c(O)cc2-c1cccc(c2)C(C)C	PC-id_101915790	258.312	SVNQWABORXCQQT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017131
COC(=O)Oc1cccc2-c(c1)c(cc2)CC(C)C	PC-id_17776077,SCHEMBL8332363	258.312	VGQPYMPJIQWFMH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017132
o1c(CC/C=C/C(=O)OCC)cc2c1C=CCC=C2	PC-id_24978092	258.312	SQFYRPYRGHHIOO-YRNVUSSQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017133
o1c(CCC=CC(=O)OCC)cc2c1C=CCC=C2	PC-id_74378275	258.312	SQFYRPYRGHHIOO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017134
O(c1c2-c(c(cc2CC)C(=O)OCC)cccc1)C	PC-id_10015377	258.312	GTHAPICTEGIRSA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017135
OCCCCc1c2-c(c(c1)C(=O)OC)ccccc2	PC-id_10106569	258.312	DPJIPVAVGCOQKK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017136
O(C(C)(C)C)C(=O)c1c2-c(cc1)ccc(OC)cc2	PC-id_11230656	258.312	CZMMSPBRCCGODC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017137
OCCOC(=O)c1ccc2-c1cc(ccc2)C(C)C	PC-id_101223600	258.312	AGOBABZUWPJBNZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017138
O(c1ccc(cc1)C#Cc1cc2-c(c1)ccccc2)C	PC-id_86099736	258.314	FXJKHOUAXRAWII-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017139
O(c1ccc(cc1)C#Cc1ccc2-c(ccc2)cc1)C	PC-id_86099740	258.314	KIIYGJRTWYEIMH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017140
O=Cc1c2-c(c(c1)/C=C/c1ccccc1)ccccc2	PC-id_11311465	258.314	PRMQWDURXZRENS-VAWYXSNFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017141
O=Cc1c2-c(c(c1)C=Cc1ccccc1)ccccc2	PC-id_71376494	258.314	PRMQWDURXZRENS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017142
CCOC1=Cc2c(C=CC1O)c(cn2C(C)C)C#N	PC-id_143184326	258.316	ZGBLUQXNSHMAFF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017143
CCOC1CC(C1)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_318859976	258.316	CHPFWMMRGSBHTA-UHFFFAOYSA-N	00001010100000000111000000000010000000000000000000000000	31-01-017144
COC1(CCC1)CCn1c(=O)nc2-c1ccccc2	EMOLS-id_319734897	258.316	CENUNNPGEFBPHW-UHFFFAOYSA-N	00001010100000000111000000000010000000000000000000000000	31-01-017145
N#CC1(CCCC1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_102709650	258.316	JGVAXPUFWKQCEQ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017146
O=C1c2c(CCCC1)cn(c2)Cc1c(onc1C)C	PC-id_83205719	258.316	YWTSJNRXVIJANF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017147
Oc1ccc(Cc2n[nH]c3CCCCCc23)cc1O	EMOLS-id_337934358	258.316	KQRPUYXJPZLIIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017148
OC(CN1CCCC1)c1c2-c([nH]c1=O)ccccc2	PC-id_85517862	258.316	SIYYABYUXFDNJQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017149
c1ccc(CNCc2nnc3n2CCOCC3)cc1	EMOLS-id_337688763,ZINC22_1923722211,MCULE-2080554933	258.319	UGKXSRYUDDMYSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017150
c1ccc(COC[C@@H]2CNCc3cncn3C2)nc1	ZINC22_306140527	258.319	UWIKDJDHMBKVOV-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017151
c1ccc(COC[C@H]2CNCc3cncn3C2)nc1	ZINC22_306140528	258.319	UWIKDJDHMBKVOV-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017152
c1ccc(COC[C@@H]2CNCc3nccn3C2)nc1	PC-id_97381806,ZINC22_96059153	258.319	NNCJSRDJVIMQSQ-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017153
c1ccc(COC[C@H]2CNCc3nccn3C2)nc1	ZINC22_96059154,PC-id_97381807	258.319	NNCJSRDJVIMQSQ-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017154
c1ccc(NCCc2nnc3n2CCOCC3)cc1	ZINC22_2356165918,MCULE-2940589207,EMOLS-id_337773963	258.319	QXCPLBHKMFCADA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017155
c1cncc(COC[C@H]2CNCc3nccn3C2)c1	PC-id_97381787,ZINC22_96059134	258.319	MLLWBXZUICHFIT-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017156
c1cncc(COC[C@@H]2CNCc3nccn3C2)c1	ZINC22_96059133,PC-id_97381786	258.319	MLLWBXZUICHFIT-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017157
Cc1ccc(OCc2nnc3n2CCCCC3)nc1	EMOLS-id_99844589,MCULE-6312216247,ZINC22_329796343	258.319	DSEZXINYNFZPBD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017158
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccn1C	EMOLS-id_319567648	258.319	HNZXOMUJJLLWCW-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-017159
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn(c1)C	MCULE-8295847861	258.319	CCUYRADROSJXFB-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-017160
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc[nH]c1C	MCULE-4976087609,EMOLS-id_319954115	258.319	PQKSPIHXKGLAKM-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-017161
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]ccc1C	EMOLS-id_319268839	258.319	RWZUVKQGEVZQPJ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-017162
C[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nnc2n1CCCCC2	PC-id_94870555,ZINC22_60851174	258.319	QZRRLBSCSLZDHO-GMTAPVOTSA-N	00100000100000000101000000000010000000000000000000000000	31-01-017163
C[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nnc2n1CCCCC2	PC-id_95901242,ZINC22_72678690	258.319	QZRRLBSCSLZDHO-OUAUKWLOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-017164
C[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nnc2n1CCCCC2	ZINC22_241739074	258.319	QZRRLBSCSLZDHO-VWYCJHECSA-N	00100000100000000101000000000010000000000000000000000000	31-01-017165
C[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nnc2n1CCCCC2	ZINC22_250117074	258.319	QZRRLBSCSLZDHO-MXWKQRLJSA-N	00100000100000000101000000000010000000000000000000000000	31-01-017166
Cn1c(c2CNCCCc2n1)OCc1ccccn1	PC-id_136590246	258.319	LKOCLRIKXMUSIY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017167
Cn1c(c2CNCCCc2n1)OCc1ccncc1	PC-id_136590243	258.319	JAMIXNSLTKHVLO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017168
Cn1c(c2CNCCCc2n1)OCc1cnccc1	PC-id_136590247	258.319	QEQRFUVXTSETMS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017169
Cn1nc(C#N)c2c1CN(C(=O)CC1CC1)CCC2	PC-id_97404575,ZINC22_96083736	258.319	QMPJABQDZIWEAK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-017170
COc1cccc(c1)CN1CCn2c(CC1)nnc2	CoCoCo_1345850,MCULE-8679639281,EMOLS-id_20551499,CoCoCo_1345851,PC-id_29256373	258.319	XMUNHZORRQUHFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017171
COc1cccc(c1)/N=c/1[nH]nc2n1CCCCC2	PC-id_20873295,CoCoCo_2150880,CoCoCo_2150877,CoCoCo_2150876,CoCoCo_2150879,CoCoCo_2150878	258.319	ITQRXAHJOZMQES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017172
C(OCc1ccccn1)C1CNCc2cncn2C1	EMOLS-id_50370284	258.319	UWIKDJDHMBKVOV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017173
C(OCc1ccccn1)C1CNCc2nccn2C1	EMOLS-id_46148503,PC-id_118738895	258.319	NNCJSRDJVIMQSQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017174
C(OCc1cccnc1)C1CNCc2nccn2C1	PC-id_118738896,EMOLS-id_46148483	258.319	MLLWBXZUICHFIT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017175
n12CCNCCc1nnc2CCc1ccccc1O	EMOLS-id_337826703,MCULE-1452539089,ZINC22_2356169741	258.319	XVUBAOMTKAUBKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017176
N#CC1(CCC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319089055	258.319	WFEPGPFTFHHUSW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-017177
N#CC(c1nnc2n1CCCCC2)C(=O)C1CC1C	MCULE-7053035387,EMOLS-id_45632488,PC-id_71944394	258.319	QZRRLBSCSLZDHO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-017178
O=C1c2c(CCCC1)cn(c2)Cc1n(c(nn1)C)C	PC-id_83206253	258.319	WPVRBQOOGZPXLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017179
O=C1c2c(CCCC1)cn(c2)Cc1n(ncn1)CC	PC-id_83207809	258.319	PDCPUBWSNAGKBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017180
Oc1ccc(NCc2n3CCCCCc3nn2)cc1	PC-id_54924444	258.319	YQUNILAINHXKBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017181
OCC1CCn2cncc2CN1Cc1cccnc1	EMOLS-id_313815333	258.319	LKPUOOZGLQOLMA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017182
OCC1CCn2nccc2CN1Cc1ccccn1	EMOLS-id_313821216	258.319	IZUAXLQMXCVTCA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017183
OCC1CCn2nccc2CN1Cc1cccnc1	EMOLS-id_313820960	258.319	TUWYOHMDFDYDSV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017184
OCC1CCn2nccc2CN1Cc1ccncc1	EMOLS-id_313820704	258.319	VQZFZTNKPUZRRP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017185
OCc1ccnc(c1)CN1CCCn2c(C1)ncc2	PC-id_118421155,SCHEMBL17144820	258.319	ZJPMVKFZJTTXCX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017186
O(Cc1n2CCCCCc2nn1)c1ccc(N)cc1	PC-id_63771344	258.319	ABZBFKQOPGBVAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017187
O(Cc1n2CCCCCc2nn1)c1cc(N)ccc1	PC-id_63771343	258.319	CIPOZIGSYNQONS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017188
O(Cc1n2CCCCCc2nn1)c1c(N)cccc1	PC-id_63746042	258.319	WLUGXBUJPAUFFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017189
OC[C@H]1CCn2cncc2CN1Cc1cccnc1	ZINC22_585097412	258.319	LKPUOOZGLQOLMA-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017190
OC[C@@H]1CCn2cncc2CN1Cc1cccnc1	ZINC22_585097413	258.319	LKPUOOZGLQOLMA-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017191
OC[C@@H]1CCn2nccc2CN1Cc1ccccn1	ZINC22_585097237	258.319	IZUAXLQMXCVTCA-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017192
OC[C@H]1CCn2nccc2CN1Cc1ccccn1	ZINC22_585097238	258.319	IZUAXLQMXCVTCA-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017193
OC[C@@H]1CCn2nccc2CN1Cc1cccnc1	ZINC22_585098070	258.319	TUWYOHMDFDYDSV-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017194
OC[C@H]1CCn2nccc2CN1Cc1cccnc1	ZINC22_585098072	258.319	TUWYOHMDFDYDSV-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017195
OC[C@@H]1CCn2nccc2CN1Cc1ccncc1	ZINC22_585098291	258.319	VQZFZTNKPUZRRP-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017196
OC[C@H]1CCn2nccc2CN1Cc1ccncc1	ZINC22_585098293	258.319	VQZFZTNKPUZRRP-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017197
C1CCC2=NNC(=C(C#N)C3=NCCCN3)N2CC1	PC-id_86819397	258.322	SIHZXEAEWYUKJG-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-017198
C1CCc2nnc(n2CC1)C(=C1NCCCN1)C#N	PC-id_136344913,EMOLS-id_49979570,MCULE-6812597844	258.322	UBYJYLRURVOPPB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017199
Cc1c2c(cn([nH]cc1)C)nc(n2C)/C(=C/N)/C=N	SCHEMBL20290171,PC-id_135143075	258.322	UPRPCOMUFNDQKT-LRSDPCLOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017200
Cc1ccc(NCc2cnc3CCNCCn23)nn1	EMOLS-id_46148845,ZINC22_96059399,PC-id_97382052	258.322	RWBNOZUSLPCQOG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017201
CC1CN(Cc2nccc(n2)N)Cc2c(C1)[nH]nc2	EMOLS-id_318777178	258.322	LIEIVPAPOCWOHL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017202
O(C(=O)c1c2-c(c(c1)[14CH2]C)cccc(C(C)C)c2)C	PC-id_9992665	258.332	CLOCEZNXEJNGTM-RHRFEJLCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017203
Cc1c2c(c(s1)C)OCC(CO2)(CO)COC	PC-id_89843623,SCHEMBL15308769	258.334	NPRAQBZRFAWCGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017204
CC(c1n[nH]c2CCCCCc12)c1ccccc1F	EMOLS-id_337932309	258.334	HCZKMUFOAKGXKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017205
CC(c1n[nH]c2CCCCCc12)c1cccc(F)c1	EMOLS-id_337934613	258.334	QJYWGMUXDJTZNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017206
CC(c1n[nH]c2CCCCCc12)c1ccc(F)cc1	EMOLS-id_337932822	258.334	MWKVIJCGYKLEFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017207
Fc1ccc(Cn2cc3C(N)CCCCc3c2)cc1	PC-id_83208318	258.334	VJXFAOAEKGWKOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-017208
Fc1cc(Cn2cc3C(N)CCCCc3c2)ccc1	PC-id_83208026	258.334	AXUOBADRFHOROU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-017209
Fc1c(Cn2cc3C(N)CCCCc3c2)cccc1	PC-id_83207848	258.334	PSJAKDMVTLMVIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-017210
OCCCOCC1(C)COc2c(OC1)csc2	SCHEMBL5806106,PC-id_69573800	258.334	RDXZCOWXESGNMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017211
CCCS(=O)CC1CCCCc2n1c(=O)on2	PC-id_141976382	258.337	NNBRIOSSODVKDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017212
CCN(S(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_102722208	258.337	PTRFXDOLXORXQS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017213
Oc1n(CCS(=O)(=O)C)nc2c1CCCCC2	EMOLS-id_315354580	258.337	FCIPLYXLMKGCEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017214
S(=O)(=O)(CCn1[nH]c2c(CCCCC2)c1=O)C	PC-id_66021949	258.337	CAIIQHIHWNUNEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017215
C/C=C(C1=CC=C=Cc2c1c(N)c(s2)C(=O)N)/C	SCHEMBL18848998	258.339	WKKJXMFNCMUECI-BAQGIRSFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017216
C/C=C(/C)c1ccccc2-c1c(c([s+]2)C(=O)[NH-])N	PC-id_137218525	258.339	MKAAZZBUJPSKSF-BAQGIRSFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017217
O=C1NCCN(c2c1ccs2)Cc1ccccc1	PC-id_139776111	258.339	CRXFHLSTOGYAIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017218
O=C(c1cc2c(s1)CCCCC2)c1cnccn1	PC-id_113657368	258.339	DIUVJXRQKSNSRN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017219
O=C(c1cc2c(s1)CCCCC2)c1cncnc1	PC-id_113656405	258.339	XPEYYOVKEFMWJP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017220
CCNS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948487	258.341	GRGXVJDLRSPEPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017221
CN(S(=O)(=O)C)Cc1nnc2n1CCCCC2	EMOLS-id_110982591	258.341	MHJCMKJCAWFJGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017222
S(=O)(=O)(NC(c1n2CCCCCc2nn1)C)C	PC-id_60765517	258.341	RYGDEQSZZYYPEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017223
S1CC(F)(F)CSc2sc(=O)sc12	PC-id_10801207	258.352	LMZTZYGHMZMLLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017224
o1c(CCCCCCCC)cc2c1c(=O)cccc2	PC-id_10868977	258.355	KDFKJRRSSGVVOM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017225
O(c1c2-c(c(C(C)C)cc2)cccc1)CCOCC	PC-id_56629203	258.355	UZGLWFRRMSYJEQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017226
O(c1c2-c(cc(C(C)C)cc1)ccc2)CCOCC	PC-id_56616146	258.355	PUXXPATWRZVTQD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017227
c12-c(c(cc(cc1C=Cc1ccccc1)C)C)ccc2	PC-id_85944467	258.357	LPEMNKYSHKHVAB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017228
CC1CCC(CC1)OC1=c2c(n[nH]c2=CC=CC1)C	PC-id_91556413	258.359	IPSDURNFOFRFRB-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-017229
Cc1n[nH]c2=CC=CCC(=c12)OC1CCCCCC1	PC-id_91231507	258.359	OTSBIKFQGHYWKS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017230
O=C1c2c(CCCC1)cn(CCCC(C)(C)C#N)c2	PC-id_83206545	258.359	HWEKPMPSUORUMA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017231
CCCC1N=C(N)c2c(S(=O)(=O)C1)ccs2	SCHEMBL8207387,PC-id_53640522	258.36	AFSJWBKPAFRPQW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017232
C1CCn2c(CC1)nnc2CNC1C[C@H]2[C@@H]1CC=C2	EMOLS-id_319796153	258.362	FUEIVIGQVHYZTD-VYAYZGMFSA-N	00001011100000000101001000000010000000000000000000000000	31-01-017233
Cn1ncc(c1)CCn1cc2c(c1)CCCCC2N	PC-id_103005642	258.362	MDMFQDWIFSSZQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017234
n1(cc2C(N)CCCCc2c1)Cc1cn(nc1)CC	PC-id_83208871	258.362	MLYDVDCFTFDCIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017235
n1(cc2C(N)CCCCc2c1)Cc1n(CC)ccn1	PC-id_83208057	258.362	ZQJQGSKNTLPLMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017236
n1(cc2C(N)CCCCc2c1)Cc1n(CC)cnc1	PC-id_83208635	258.362	FEVUFBXLGBFVCT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017237
n1(cc2C(N)CCCCc2c1)Cc1n(nc(c1)C)C	PC-id_83208696	258.362	VMNGJDBWCJULQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017238
n1(cc2C(N)CCCCc2c1)CCCn1ccnc1	PC-id_83208941	258.362	YXHJRDXINHHVNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017239
n1(cc2C(N)CCCCc2c1)CCn1c(ncc1)C	PC-id_83208637	258.362	BHSWRHNVQACODM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017240
n1(cc2C(NC)CCCCc2c1)Cc1cn(nc1)C	PC-id_83208070	258.362	FADREKLFQYEPIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017241
n1(cc2C(NC)CCCCc2c1)Cc1n(ccn1)C	PC-id_83208818	258.362	UCIMDXQEJIPORZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017242
n1(cc2C(NC)CCCCc2c1)Cc1n(cnc1)C	PC-id_83208816	258.362	NXKDVRWDOMKGHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017243
n1(cc2C(NC)CCCCc2c1)Cc1nn(cc1)C	PC-id_83207688	258.362	QMPOVYGTOLLCEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017244
n1(cc2C(NC)CCCCc2c1)CCn1ccnc1	PC-id_83208980	258.362	LFXYOTYRJHAOGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017245
n1(cc2C(NC)CCCCc2c1)CCn1nccc1	PC-id_83208967	258.362	QUXUGKKRTSJEES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017246
NC1CCCCc2c1cn(c2)CCc1ccnn1C	PC-id_103005643	258.362	FTFCUCUGISUKSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017247
NC1CCCCc2c1cn(c2)CCc1nccn1C	PC-id_114528962	258.362	XEZBVZZYQSIFCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017248
N(CCCNc1nc2-c(n1)ccccc2)(CC)CC	PC-id_85672489	258.362	VSVXNWUTQIVFNW-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-017249
N(CCN(c1nc2-c(n1)ccccc2)C)(CC)CC	PC-id_85672479	258.362	RJGWHUOTZHLBNA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-017250
s1c2c(CCCCC2)cc1C(O)c1ccccc1	PC-id_61100210	258.379	CFDIFZFGQUKTFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-017251
S(C(=O)Cc1c2-c(c(cc(c1)C)C)ccc2)CC	PC-id_85868698	258.379	DCIWVAXUWGCCMY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017252
Nc1cc2c(s1)CCN(CC2)Cc1ccccc1	PC-id_13072069,SCHEMBL11293719	258.382	AJHSUADRTSFMDL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-017253
Nc1ccc(cc1)Cc1nc2c(s1)CCCCC2	PC-id_65721929,EMOLS-id_314940358	258.382	OMYCXCABYKTCOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017254
NC(c1cc2c(s1)CCCCC2)c1cccnc1	PC-id_115799816	258.382	KYKXNDCKYDHHSX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-017255
s1c2CCCCCc2nc1C(N)c1ccccc1	PC-id_61330062	258.382	KOEMLIAFBJQOFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017256
s1c(C(=N)c2c3n(CCCCC3)c(c2)C)ccc1	PC-id_11821281	258.382	SRNPTYBTDCDDKW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-017257
n1(CC2C3CC(C2)CC3)cc2c(c1)CCCCC2N	PC-id_83208872	258.402	ATGRHNLDOPOLJQ-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-017258
CCc1c(SC(C)(C)C)c(c2-c1ccccc2)C	PC-id_145572864	258.422	JQLRXOBSBJDABF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017259
CCCC/C=c
/sc2c(c1=C)C=CC(C=C2)(C)C	PC-id_144484051	258.422	UPUMZUHVYCEGJE-OVCLIPMQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017260
Clc1cccc2-c(c1)c(C(=C)Cl)c(n2)Cl	PC-id_121223319	258.531	DYFNDNVKURDCKO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017261
Clc1cc2-c(c1C(=O)C(F)(F)F)ccccc2	PC-id_121007621	258.624	QXGPTLQGWICTJR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017262
O=C(c1cc(Cl)c2-c1ccccc2)C(F)(F)F	PC-id_24974947,CNP0023084	258.624	JMIZCKROPAKSFW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017263
CC(Cl)C(=O)N1CCc2nn(C)c(=O)n2CC1	EMOLS-id_317418107,MCULE-6750366008	258.705	BCSCOTAWBXEQOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017264
C1CCC(=Cc2cc(ccc2)Cl)c2c(C1)cn[nH]2	PC-id_91036482	258.746	QZQUQCXFGBICRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017265
C1CCC(=Cc2ccc(cc2)Cl)c2c(C1)cn[nH]2	PC-id_91231467	258.746	PBBKBVLUKOCTKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017266
c1(NC(=O)CCCl)sc2c(CCCCC2)n1	EMOLS-id_50077146,MCULE-2377671962,PC-id_66490682	258.768	LJOUFDBMHTZKHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017267
Clc1c2OCC(N=C(N)c2sc1)CCCC	PC-id_54342454	258.768	TZXNRIPGVMFTRP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017268
ClCCCN1Sc2c(n(cc2)C)C(=O)CC1	PC-id_21028215	258.768	APZMGHPJYGGULA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017269
CCC1=C2C(=C([C@@H](C=C1Cl)C)Cl)N=CS2	PC-id_163975424	258.999	STRPHWALZOEBTE-ZCFIWIBFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017270
CCC1C=CN=CC2=C1N(C(=O)N2)CC(F)(F)F	PC-id_148620291	259.093	NGDDXSNEENKJEZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017271
BrC1COC(c2c(C1=O)cn[nH]2)(C)C	PC-id_144315269	259.1	QIKQMZUZCZNCEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017272
Brc1n(c2c(C(O)CCNC2=O)c1)C	PC-id_9992688	259.1	LSEJBMNKJPZWQM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017273
CO[C@@H]1CNC(=O)c2cc(Br)cn2C1	EMOLS-id_330937799	259.1	YFZDFLVHDASROR-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017274
OCC1CNC(=O)c2cc(Br)cn2C1	EMOLS-id_330940103	259.1	IQYXBBWLEBSCCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017275
CN1C(=O)C(N)CCn2c1cc(n2)Br	SCHEMBL18367275	259.103	KXPMJBLTCJEXLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017276
CN(CC1=NN=C2N1CCNCC2)S(=O)(=O)C	PC-id_165417482	259.11	UKOIPGFXIJSXGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017277
[se]1nc2N(C(=O)CN(C(=O)c2n1)C)C	PC-id_10753738	259.124	NEUCVEOTPVFYMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017278
C1COCCN1CCN2C3=CC=CC=CC3=NC2=O	PC-id_154356126	259.132	BWXFRPNYBQZHGL-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-017279
CC(C)[C@@H](CO)NC(=O)C1=NN=C2C1=CC=CC=C2	PC-id_160176110	259.132	PDQYXEOQQPWVCJ-GFCCVEGCSA-N	00000010100000000111000000000010000000000000000000000000	31-01-017280
Brc1c2OCCCCn2nc1C(C)C	PC-id_84045792	259.143	VWXWQKCQQNEBFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017281
ClCc1c2c(sc1CCl)c(=O)cccc2	PC-id_15122357	259.152	LZUSAPWEGOVEDE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017282
O=c1c(C)cc2c(cc1C)c(sc2Cl)Cl	PC-id_121223601	259.152	PXVWOYLWGKRVKY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017283
Brc1c2CCCCCc2sc1C=O	PC-id_71670778	259.163	QVTOFKZMAQLNDL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017284
BrC1CCCc2sc(cc2C1=O)C	PC-id_12344649	259.163	XETIXHJFPKIDOI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017285
Brc1sc(c2CCCCCc12)C=O	PC-id_82380276	259.163	KZIRUZQTLMCTCJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017286
O=C1CCCCc2c1sc(c2Br)C	PC-id_138977427	259.163	BBPMTQKNOYGHPE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017287
CC(C)C#CC(=O)N1CC2=C(CC(C1)(C)C)NN=C2	EMOLS-id_317778874,PC-id_154784650,MCULE-5937572711	259.168	JHTOUBMLGDQHEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017288
CC(C)C1=CN(N=C1)CC2=NN=C3N2CCCCC3	PC-id_154795013	259.18	MHLYJBDMDUFBOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017289
CC(C)(C)C#CC1=C2C/C(=C/N)/N(CCN2C=N1)N	PC-id_153378929	259.18	DZPGYOXKLXSKMF-LUAWRHEFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017290
[se]1cc2OCC(CC)(CC)COc2c1	PC-id_59566411	259.204	XESFOPCXGHVBGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017291
[se]1c(c2OCC(COc2c1C)(C)C)C	PC-id_59566415	259.204	KKKUFEMAQHBIHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017292
BrC(c1c2CCCCCc2sc1)C	PC-id_71670745	259.206	ZXFUYEMWZIFPSA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017293
BrCc1c2CCCCCCc2sc1	PC-id_71670724	259.206	KMTIUFWQZDGASM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017294
BrC(c1sc2CCCCCc2c1)C	PC-id_71670741	259.206	XPNAZIKZNPWTGH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017295
BrCc1sc2CCCCCCc2c1	PC-id_71670714	259.206	YTGCQSGHARZWPL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017296
OC1CCCCc2c(CCC1)[se]nn2	PC-id_101481908	259.207	XYUGZMGAMKFFOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017297
[se]1nnc2C[C@@H](OCC)CCCCc12	PC-id_640240	259.207	MAVABOLGVIQMMF-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017298
[se]1nnc2CC(OCC)CCCCc12	PC-id_22298295	259.207	MAVABOLGVIQMMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017299
o1c2CCCN([NH+](O)[O-])C(=O)c2c(c1[NH+](O)[O-])C	PC-id_21140771	259.216	WGKCJCKJGNZCQA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017300
CC(C(F)F)NC(=O)C1CCn2c(CC1)nnn2	EMOLS-id_319009061	259.256	KOBRBKBKAPRGPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017301
COCc1cccc(c2-c1oc(=O)c2C#N)COC	PC-id_101618202	259.257	REIDKTNDNOMATR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017302
COC(=O)c1c2-c(ccccc2)c(C(=O)OC)c1N	LI_171347,NSC225267,PC-id_312939,CoCoCo_5544153,ZINC22_1757123	259.257	BONLJWTZXGQUCT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017303
OC(=O)CONC(=O)Cc1ccc2-c1ccccc2	PC-id_141009981	259.257	YKFQETJRTUOPCN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017304
o1[n+]([O-])c2CCCN(Cc3ccccc3)C(=O)c2n1	PC-id_18957949,SCHEMBL9308057	259.261	IYEIEDAOAWHVTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017305
c1(Br)sc2c(CCCNC2)c1OC	MCULE-9167187358	262.167	PPDFLRSMLDFLJX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018040
O=C1NC(=O)C(N1)Cc1cc2c(o1)C=CC(=NC2)C	PC-id_143989331	259.261	HQPWQCVAYBUGFZ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-017306
O=C(c1ccc(=O)[nH]n1)N1CCCc2c(C1)cco2	EMOLS-id_99370615	259.261	VGDUTNXAASRNDE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017307
C1CN(CCn2c1n[nH]c2=O)C(=O)c1ccccn1	PC-id_91922358	259.264	KWURZUJJYYULEB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017308
FC(F)(F)CCCn1cc2CCCCC(=O)c2c1	PC-id_83208198,EMOLS-id_315763350	259.267	LDVUWJIHRLQJLQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017309
c12C(=O)NCCCc1[nH]c(Cc1cccc(F)c1)n2	PC-id_72887740,EMOLS-id_46624828,MCULE-9495933527,ZINC22_95371753	259.279	PHVDUZHHRCVYCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017310
Fc1ccc(Cc2[nH]c3CCCNC(=O)c3n2)cc1	PC-id_72842605	259.279	KZRHWXBCPNYCKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017311
Cn1ncc2c1CCCN(CCOCC(F)F)C2	MCULE-3494960241,ZINC22_411851239,EMOLS-id_316193070	259.296	KWDOIUNTPMGJCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017312
c12cc(c(=O)ccc1c(n(C)c2C)C)C(=O)OCC	PC-id_5192536,ZINC22_5598585,TIMTEC369685,MCULE-4535238864	259.3	OYCAPUXOUSBXHD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017313
CCCCc1ccc2-c1cc(ccc2)OC(=O)NO	SCHEMBL8332937	259.3	YLFPWVGLTYQCNQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017314
CCOC(=O)Cn1c(=O)c(c2-c1ccccc2)CC	SCHEMBL11272196,PC-id_12852674	259.3	VDGJFMMKGBNZFL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017315
O=CC1C=Cc2c(C=C1)ccn2C(=O)OC(C)(C)C	PC-id_142246436	259.3	TZEPISWZQSOIBO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017316
ONC(=O)Oc1cccc2-c(c1)c(cc2)CC(C)C	SCHEMBL8333483	259.3	VAQUGFQWSNVOQG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017317
O=Cc1c(/C=C/c2ccccc2)nc2-c1ccccc2	PC-id_101450300	259.302	PBAGJKJXZMCNTP-VAWYXSNFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017318
s1c2=NC(Nc3ccc(F)cc3)C=NC=c2cc1	PC-id_57252273	259.302	OJTAHHJCEWEJBX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-017319
c1cc2c(o1)CCCN(Cc1nc(C3CC3)no1)C2	EMOLS-id_177309685,MCULE-9043390262,ZINC22_288827712	259.304	NQXUJBQZXSPENP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-017320
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(o1)C	EMOLS-id_318861487	259.304	VXOBWXXSJNKZOH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017321
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cocc1C	EMOLS-id_318809997	259.304	RJZHGQSJWMFRPJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017322
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc(c1)C	EMOLS-id_319577601	259.304	UWPWACAMVVGIMG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017323
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1occ(c1)C	EMOLS-id_319568778	259.304	LZBKLTHJEGYNFT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017324
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1occc1C	EMOLS-id_320014647,MCULE-9088514437	259.304	CIVJPQWXWLOZFT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017325
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccco1	EMOLS-id_319153389	259.304	WPJRJGKKTAGWKR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017326
Cc1cnn(c1)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_99372586	259.304	XDGCKSIFNUTQQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017327
CCc1nc[nH]c1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_278814199	259.304	PQDGAQRDUDJTNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017328
Cn1cc(c(n1)C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_101676047	259.304	JEUHUAKQAWCVDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017329
COc1ccc(Cc2nnc3CCOCCn23)cc1	EMOLS-id_337661117,MCULE-7476623977,ZINC22_2100473391	259.304	KTWUUYBIZXRSPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017330
n1c(CNC(=O)c2ccoc2)c2c(CCCCC2)[nH]1	MCULE-2962886570,ZINC22_584886211,EMOLS-id_177373617	259.304	MNRYABKSZYYXSS-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017331
N#CC1(C)CN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102753035	259.304	ZEZHYIBLZYIWRP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-017332
O=C1c2c(CCCC1)cn(c2)Cc1nc(on1)CC	PC-id_83207487	259.304	BJCDYVWJEKPMBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017333
O=C1c2c(CCCC1)cn(c2)Cc1oc(nn1)CC	PC-id_83206020	259.304	XDROVTUXRXOARO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017334
O=C1c2c(CCCC1)cn(c2)Cc1onc(n1)CC	PC-id_83206853	259.304	SFAZHVXQHAUBQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017335
O=C1c2c(CCCC1)cn(c2)CC(=O)NCCC#N	PC-id_83207589	259.304	SKMHVACPRMUHNI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017336
O=C(c1c2c(CCCCC2)[nH]n1)NCc1occc1	MCULE-2816278606,EMOLS-id_323252150	259.304	ZZJSZVKSFFDDIO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017337
O=C(c1cnc(n1C)C)N1CCCc2c(C1)cco2	EMOLS-id_278814190	259.304	TUGKJXOHCXHETC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017338
O=C(N1CCCc2c(C1)cco2)CCc1[nH]ncc1	EMOLS-id_319032350	259.304	YZAMEDIFCZVBMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017339
O=C(N1CCCc2c(C1)cco2)Cn1ccnc1C	EMOLS-id_101543509	259.304	FNRDZXTZNYHKOV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017340
O(C(OC)C/N=C/c1c2-c(nc1N)ccccc2)C	PC-id_15141522	259.304	YHQMDSGZBOPPEL-LZYBPNLTSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017341
c12CN(CCCn1nc(C#N)c2)CC(=O)NC1CC1	EMOLS-id_222789324,MCULE-6689431175,ZINC22_670470278	259.307	NEVKTGSIIUHLHX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-017342
c12C(=O)NCCCc1[nH]c(CCc1cnn(C)c1)n2	MCULE-4965073835,CHEMBL4578735,PC-id_77079674,EMOLS-id_49868356,ZINC22_215040550	259.307	GHPXJTUUAUQNDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017343
c12C(=O)NCCCc1[nH]c(CCn1ccc(C)n1)n2	MCULE-6477324131,ZINC22_95522780,PC-id_72912458,EMOLS-id_48642578	259.307	WTTGPSAYQNFWSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017344
c12C(=O)NCCCc1[nH]c(CCn1cc(cn1)C)n2	ZINC22_95510499,PC-id_72881106,MCULE-6081754472,EMOLS-id_48634310	259.307	HOXGGNFRZKDWHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017345
C1CN(Cc2onc(c2)C2CC2)Cc2n(C1)nnc2	EMOLS-id_319426910	259.307	HFFBFCMZISESRQ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-017346
c1(C(=O)Nc2cnn(C)c2)c2CCCCCc2n[nH]1	EMOLS-id_49247987,EMOLS-id_50400456,MCULE-4278299997,PC-id_75489874,ZINC22_96231469,STOCK7S-46766	259.307	LTJNTMNTURNDRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017347
Cc1ccc(=O)n(n1)Cc1nnc2n1CCCCC2	EMOLS-id_110441881	259.307	HIJRWVASLOCXON-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017348
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnn1C	EMOLS-id_319784334	259.307	SHWMUDBODKRHPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017349
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c[nH]c(n1)C	EMOLS-id_320238730,MCULE-9901788920	259.307	ZWJXNKXSKXJVAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017350
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1)C	EMOLS-id_319425906	259.307	ORYURWQPPHFRNY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017351
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncn(c1)C	EMOLS-id_320091303,MCULE-3938050482	259.307	YZNOSIZFMSJXPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017352
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nc[nH]c1C	EMOLS-id_319596726	259.307	AUSRGKPOZALQDH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017353
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cn[nH]c1	EMOLS-id_319134391	259.307	XYGATTWCZAASMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017354
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ncc[nH]1	EMOLS-id_319288454	259.307	DJXNQQXBVWNANM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017355
Cc1cncc(=O)n1Cc1nnc2n1CCCCC2	MCULE-6406786837,EMOLS-id_98514021	259.307	VDKSWJFYCMMBSW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017356
Cc1cnn(Cc2nnc3n2CCCCC3)c(=O)c1	PC-id_121578508,EMOLS-id_76042314,ZINC22_328595750,MCULE-6723629526	259.307	DFPOJIQNTNXHOG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017357
CN1CCCn2nnc(COc3cccnc3)c2C1	PC-id_97519089,ZINC22_96258999,EMOLS-id_44369546	259.307	CGHQJDAXEFYQQI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017358
Cn1ccc(NC(=O)c2n[nH]c3CCCCCc23)n1	EMOLS-id_323249085,MCULE-1625889173	259.307	CZSAYQRFJYGXRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017359
COc1ccc(cn1)CN1CCCn2c(C1)cnn2	MCULE-6563318005,EMOLS-id_320153498	259.307	DHCVHMQTULYQNF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017360
O=C1c2n(CCCCCCC#N)cnc2NC=NC1	PC-id_10635026	259.307	TVUWKZLPLNPKEA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017361
O=C1c2ncn(CCCCCCC#N)c2NC=NC1	PC-id_10491517	259.307	ISIXKVJNGSIQOK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017362
O=c1ccccn1CCN1CCCn2c(C1)cnn2	EMOLS-id_319099607	259.307	QOPAIXFWCPVETG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017363
OCc1nnc2n1CCN(CC2)Cc1cccnc1	PC-id_97405384	259.307	QYGSVGBUISXNHW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017364
OCc1nnc2n1CCN(CC2)Cc1ccncc1	PC-id_97519274	259.307	MAWUGHFFUPFESR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017365
OCc1nnn2c1CN(CCC2)Cc1cccnc1	PC-id_97413546	259.307	HEWBXLLMIQPUNQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017366
Cc1cc(NC2CCn3c(CC2)nnn3)nc(n1)C	MCULE-6206307607,EMOLS-id_102032831	259.31	LIOXNBITOBJFLM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017367
Cc1cc(N[C@H]2CCc3nnnn3CC2)nc(C)n1	PC-id_164639296,ZINC22_333841818	259.31	LIOXNBITOBJFLM-JTQLQIEISA-N	00000000100000100101000000000010000000000000000000000000	31-01-017368
Cc1cc(N[C@@H]2CCc3nnnn3CC2)nc(C)n1	ZINC22_333841838	259.31	LIOXNBITOBJFLM-SNVBAGLBSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017369
Nc1ncnc(c1)NCc1nnc2n1CCCCC2	EMOLS-id_319008654	259.31	PBUJROROBDWNHR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017370
Fc1ccc(Cn2cc3C(O)CCCCc3c2)cc1	PC-id_83208716	259.319	WKSHVRYKPPCPFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-017371
Fc1cc(Cn2cc3C(O)CCCCc3c2)ccc1	PC-id_83208717	259.319	FEUUDSVNFSXJBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-017372
Fc1c(Cn2cc3C(O)CCCCc3c2)cccc1	PC-id_83208547	259.319	PDUFGRRKIYZVHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-017373
CC1CN(Cc2ccccc2F)Cc2c(C1)[nH]nc2	EMOLS-id_316974206,MCULE-1682365192	259.322	STJBRXUQOJROEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017374
CC1CN(Cc2cccc(c2)F)Cc2c(C1)[nH]nc2	EMOLS-id_320146173,MCULE-2190350662	259.322	ZIZXWIZRMAHWED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017375
C[C@@H]1Cc2n[nH]cc2CN(Cc2ccccc2F)C1	ZINC22_952994670	259.322	STJBRXUQOJROEY-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017376
C[C@H]1Cc2n[nH]cc2CN(Cc2ccccc2F)C1	ZINC22_952994671	259.322	STJBRXUQOJROEY-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-017377
COCC1(COC)COc2c(OC1)csc2N	PC-id_70797696,SCHEMBL12919548	259.322	QTXPTQIXYVMYDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017378
Fc1ccccc1Cc1nnc2n1CCCCCC2	PC-id_139021507,EMOLS-id_317746605,MCULE-7232856961,ZINC22_630952115	259.322	XTGXDZKWTLQUKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017379
Fc1ccc(cc1)Cn1ncc2c1CCCCC2N	PC-id_107384469	259.322	NKARRRHMMWBMNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017380
Fc1cccc(c1)Cn1ncc2c1CCCCC2N	PC-id_107384472	259.322	BPJZEUXWMNBGCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017381
FC1CCCCCc2c1n(nn2)Cc1ccccc1	PC-id_101481178	259.322	VYYMBTOZKKGSLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017382
Fc1cncc(c1)Cn1cc2c(c1)CCCCC2N	PC-id_105571084	259.322	FHSDJSKRZPHKJG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-017383
FC(c1n2CCCCCCc2nn1)c1ccccc1	SCHEMBL4536414,PC-id_20724877	259.322	JIKBWFACTAERTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017384
C[C@H]1OCCc2c(C1)n(nc2)S(=O)(=O)N(C)C	PC-id_142592612	259.325	UMTXUMQQSJACGB-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017385
COCC1CCn2nccc2CN1S(=O)(=O)C	EMOLS-id_313743287	259.325	VUMQKFKLHAGCHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017386
COC[C@@H]1CCn2nccc2CN1S(=O)(=O)C	ZINC22_585098302	259.325	VUMQKFKLHAGCHP-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-017387
COC[C@H]1CCn2nccc2CN1S(=O)(=O)C	ZINC22_585098308	259.325	VUMQKFKLHAGCHP-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017388
OCCCS(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_110954629	259.325	WVBUYLUGDNFJSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017389
c12C(=O)NCCCc1nc(Nc1ccccc1)s2	MCULE-5904946802,EMOLS-id_233037799,PC-id_845573,CoCoCo_207271,ZINC22_377463	259.327	AAXWYZNDRJAVHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017390
C/C=C/N=CNc1c(C=O)sc2=NC=CCC=c12	PC-id_143487873	259.327	CNBBGPYDDAFXQH-QHHAFSJGSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017391
S=C1NC(C(=O)N1)Cc1c[nH]c2c1CC=CC=C2	PC-id_143030512	259.327	BOQDEBWHBNJFRA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-017392
CC(c1nnc2n1CCCCC2)NS(=O)(=O)N	PC-id_112573639,EMOLS-id_50797441	259.329	AENLSMRBBVQHAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017393
CC1CCC(=CC1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_102843615	259.343	LXLXBTZHZCCMQC-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-017394
CCOC(=O)C1=C(C=c2c(=CC1)cc[nH]2)C(CC)C	PC-id_143161682	259.343	DEFFZEQBNLBOFF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017395
O=C(C1(C)CCC=CC1)N1CCCc2c(C1)cco2	EMOLS-id_102801779	259.343	DVQFACVOWLKUAT-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-017396
Cc1cc(c2-c1ccccc2)C=NC1=CC=CCC=C1	PC-id_144236773	259.345	QTBXKSVZLRFBIB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017397
C=C1CC(C1)(C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318807002	259.347	VEVWELDWXTYAAY-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-017398
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@]12CCC[C@@H]1C2	EMOLS-id_318799610	259.347	UEVUZCJWZXWXGP-QOBVVAFRSA-N	00100010100010000101010000000010000000000000000000000000	31-01-017399
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(C)CC=CC1	EMOLS-id_318902497	259.347	IKTPCXPBRYFBPD-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-017400
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1C=CCC1	EMOLS-id_319395742	259.347	YSDBZPIDPXQSDV-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-017401
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1C[C@H]2[C@@H](C1)C2	EMOLS-id_318836487	259.347	XQYPZVNXGFSSRH-KVMUQPTRSA-N	00100010100010000101010000000010000000000000000000000000	31-01-017402
Cc1nn(c(c1CN1CCCc2c(C1)cco2)C)C	MCULE-8154539257,EMOLS-id_317296083	259.347	ZSAYQMGYUJQVSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017403
C/C=C(/C)c1ccccc2-c1c(c([s+]2)C(=O)N)N	PC-id_137218526	259.347	MKAAZZBUJPSKSF-BAQGIRSFSA-O	00000010100000000110000000000010000000000000000000000000	31-01-017404
C=CCN(CC=C)C(=O)c1n[nH]c2CCCCCc12	MCULE-8384481403,EMOLS-id_323253940	259.347	CVUUCUBYUWDVBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017405
Cn1ncc(c1)CCn1cc2c(c1)CCCCC2O	PC-id_103005449	259.347	FFVBKYQAQZNGCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017406
N[C@@H]1CCCC(C1)(O)Cn1ncc2c1CC=CC=C2	PC-id_144407194	259.347	OCXHUCPFWAIUPY-AFYYWNPRSA-N	00000000100010000111000000000010000000000000000000000000	31-01-017407
o1nc(cc1Cn1cc2C(NC)CCCCc2c1)C	PC-id_83208732	259.347	XCVKRDAWUSNDFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017408
o1nccc1Cn1cc2C(NCC)CCCCc2c1	PC-id_83213411	259.347	CVGNYWHTGNPXOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017409
o1nc(c(Cn2cc3C(N)CCCCc3c2)c1C)C	PC-id_83208854	259.347	FKZOUUCSGBNXEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017410
o1nc(Cn2cc3C(NC)CCCCc3c2)cc1C	PC-id_83208738	259.347	RJMQULHRSLNKIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017411
OC1c2c(CCCC1)cn(c2)Cc1cn(nc1)CC	PC-id_83208798	259.347	NLHHQBZXRCHWMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017412
OC1c2c(CCCC1)cn(c2)Cc1n(CC)ccn1	PC-id_83208233	259.347	BXPVRLOAAUYCLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017413
OC1c2c(CCCC1)cn(c2)Cc1n(CC)cnc1	PC-id_83209089	259.347	SDTRWWJYGBUBQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017414
OC1c2c(CCCC1)cn(c2)Cc1n(nc(c1)C)C	PC-id_83208457	259.347	GMWZXYSYIHBOSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017415
OC1c2c(CCCC1)cn(c2)CCCn1ccnc1	PC-id_83207861	259.347	JSAVIQRNPJRMPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017416
OC1c2c(CCCC1)cn(c2)CCn1c(ncc1)C	PC-id_83207787	259.347	PZLILMFCRYEOEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017417
O=c1c2n(nc(c2cccc1)C)CCN(CC)CC	PC-id_15025749	259.347	KCCMWUGWXPFWDW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017418
OC1CCCCc2c1cn(c2)CCc1ccnn1C	PC-id_103005450	259.347	MUCSYLGTHAMSDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017419
OC1CCCCc2c1cn(c2)CCc1nccn1C	PC-id_114528899	259.347	TYORGIAAFDKWLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017420
Cc1cc(C)n(Cc2nnc3n2CCCCCC3)n1	MCULE-9752315867,ZINC22_630950674,EMOLS-id_316949066	259.35	DYQFQYFYSUIXFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017421
CC1CN(Cc2c(C1)[nH]nc2)Cc1c(C)cnn1C	EMOLS-id_318804403	259.35	XNEVRYJCZSJHDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017422
CC1CN(Cc2[nH]c(c(n2)C)C)Cc2c(C1)[nH]nc2	MCULE-3306335265,EMOLS-id_320153833	259.35	NRTIEHFATOHPKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017423
CC1CN(CCc2ccnn2C)Cc2c(C1)[nH]nc2	EMOLS-id_319288248	259.35	ZXGLXFFKUNUZDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017424
CCn1nccc1CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320150379,MCULE-1854721537	259.35	RCSQIDXRZNRLOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017425
CC=N/C=C(C=C(c1nnc2n1CCCCN2)/C)/C	PC-id_143576892	259.35	PTYPISDILPWCEJ-UMBZKCRKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017426
Cn1cccc1CNCc1nnc2n1CCCCC2	PC-id_119141349	259.35	QPBRYNZAZIMHTP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-017427
CNC1CCCCc2c1cn(c2)Cc1nnn(c1)C	PC-id_107045595	259.35	XRTBOTBCMWKEJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017428
n12CCCCCc1nnc2C(NCc1c[nH]cc1)C	PC-id_66408528	259.35	QIRZUGMASRJFFW-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-017429
n12CCCCCc1nnc2C(NCc1[nH]ccc1)C	PC-id_62339233	259.35	YUGMQNLCOZUMML-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-017430
n1(cc2C(N)CCCCc2c1)Cc1n(c(nn1)C)C	PC-id_83208013	259.35	USPDSLPTLJHSOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017431
n1(cc2C(N)CCCCc2c1)Cc1n(ncn1)CC	PC-id_83208856	259.35	PZOONQUNQNMTBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017432
n1(cc2C(NC)CCCCc2c1)Cc1n(cnn1)C	PC-id_83208353	259.35	OHRIWKGRJGRALE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017433
n1(cc2C(NC)CCCCc2c1)Cc1n(ncn1)C	PC-id_83208891	259.35	WPLJASBQAMEBKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017434
n1nc2n(n1)CCC(CC2)NCC1CC2CC1C=C2	EMOLS-id_102026221	259.35	SFYXFBDQOPVHAJ-UHFFFAOYSA-N	00000011100000000101000000000110000000000000000000000000	31-01-017435
N#CC1CCC(C1)NCc1nnc2n1CCCCC2	EMOLS-id_101069959	259.35	DQZQDFGZRJGJFA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-017436
N#CC1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_110955492	259.35	MZBQLVMDYVARQP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017437
FC(CNCc1csc2c1CCCCCC2)F	PC-id_114749090	259.358	TZQICIWRWBMNPY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017438
O=C1CCCCc2c1cn(c2)CCc1cccs1	EMOLS-id_315014665,PC-id_83207386	259.367	DCGVRROIBOVBLD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-017439
O=C1CCCCc2c1cn(c2)CCc1ccsc1	PC-id_83207269,EMOLS-id_315762067	259.367	PLOMKGGZTWNGLQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-017440
OC(c1cc2c(s1)CCCCC2)c1cccnc1	PC-id_113658232	259.367	ZCHKGIKCQPRBSV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-017441
s1c2c(CCCCC2)c(c1)C(=O)c1n(ccc1)C	PC-id_16638518	259.367	WYKPBLXMTAQAAE-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-017442
s1c2CCCCCc2nc1C(O)c1ccccc1	PC-id_63346946	259.367	UBFDHFUCXHPACX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017443
s1c(C(=O)c2c3n(CCCCC3)c(c2)C)ccc1	PC-id_10848888	259.367	CBGGLNVCKAPLSF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-017444
c1ccc(SCc2nnc3n2CCCCC3)cc1	CoCoCo_5840733,PC-id_4232890,ZINC22_3881039	259.37	BOQKCJYNHCKPNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017445
CCC1=C(C)N=c2c(=C(C1)C)c(C#N)c(s2)NC	PC-id_143185668	259.37	CYGIRDFDHGQKJA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017446
C[C@H]1Sc2nc[nH]c2CCN1Cc1ccccc1	SCHEMBL18880432	259.37	KUDINFMGSJJQFQ-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017447
Nc1ccc(cc1)CN1CCc2c(CC1)ncs2	SCHEMBL3154322,PC-id_68531662	259.37	RXCPWBWDGCMNMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017448
Nc1nc2c(s1)CCN(CC2)Cc1ccccc1	SCHEMBL7284169,PC-id_19985880	259.37	ZXYTWCOGVQEDAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017449
NC(c1cc2c(s1)CCCCC2)c1cnccn1	PC-id_115860619	259.37	NXOVURGBHAIOLQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017450
NC(c1cc2c(s1)CCCCC2)c1cncnc1	PC-id_115827672	259.37	UFTNNHVTMYPWCR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017451
S=c1n2CCN(CCc2c[nH]1)Cc1ccccc1	PC-id_10467756	259.37	RBOBBTVSGOGVLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017452
CC1=Cc2ccc(n2CC(C1)(C)C)C(=O)C(C)(C)C	PC-id_101173864	259.386	XYJIQWHXZYAEKN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017453
CC1=Cc2ccc(n2C(CC1)(C)C)C(=O)C(C)(C)C	PC-id_101173862	259.387	GTPPBMRYYJSXQU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017454
OC1c2cn(CC3C4CC(C3)CC4)cc2CCCC1	PC-id_83208656	259.387	KIUBGHKSZPNRTE-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-017455
CCS(=O)(=O)c1cc2c(s1)CCNCC2C	SCHEMBL12636616,PC-id_58256120	259.388	ZFKSMIRZEDYUMJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017456
CC1(C=Cc2c(N=C1)nc([nH]2)C(C)(C)C)C(C)(C)C	PC-id_91567169	259.39	SRANFQYRNVYAFM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017457
C=C1CCCn2c(N1C)cc(n2)CC1CCCCC1	SCHEMBL19659314	259.39	KAEYEVIRUQFFHM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017458
n1(cc2C(N)CCCCc2c1)CCCC(C)(C)C#N	PC-id_83208235	259.39	DMTCXKNYHIKPNZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017459
n1(cc2C(NC)CCCCc2c1)CCC(C)(C)C#N	PC-id_83207697	259.39	KRMKNYNMXPVVMD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017460
n1(cc2C(NCC)CCCCc2c1)CCCCC#N	PC-id_83212752	259.39	NCOSALCSEDMQKN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017461
n1(cc2C(NCCC)CCCCc2c1)CCCC#N	PC-id_83212337	259.39	PVDZGZWDSJLJLC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017462
C1CC(=c2c(=NC=C1)c(c[nH]2)Br)Cl	PC-id_137103462	259.53	VWTXIFNVZFFNPK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017463
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CCl	PC-id_90625316	259.713	OSEWTTZBJKZMMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017464
CCOC(=O)N1CCc2c(CC1)scc2Cl	PC-id_68471487,SCHEMBL2998360	259.752	LACKJZLDXVHGNA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017465
ClCCCCSc1n2CCCCCc2nn1	PC-id_61750583,EMOLS-id_38539284	259.799	GGQHPTZSQYZKQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017466
ClCC(CSc1n2CCCCCc2nn1)C	EMOLS-id_40372342,PC-id_64231190	259.799	OGDAJVMDWKRPJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017467
Clc1nc2-c(c1C#C[Si](C)(C)C)ccccc2	PC-id_86216993	259.806	ZXJOUZPVFNUTPZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017468
O=C1C(N[B][B])Cn2nnc(CC(NC1)C(=O)O)c2	PC-id_59397693	259.845	PMETUXXFYVQOJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017469
CC1C=NC2=C(C=CN2)I=C1	PC-id_146820682	259.981	SBZBVUJXXMKFAR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017470
CP1C=CC=c2c(=C1)c(c(o2)/C=CC=C)C=P	PC-id_163692984	260.052	JUNNUGMOJKRIJP-XQRVVYSFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017471
Brc1cc2c(o1)CCN(CC2)C(=O)O	PC-id_66867811,SCHEMBL985827	260.085	KVZVGFZSOUKYHX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017472
Brc1oc2CCC(NCc2c1)C(=O)O	SCHEMBL4765842,PC-id_69180335	260.085	VRHHMQWUWOPRHP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017473
Brc1oc2c(CC(NCC2)C(=O)O)c1	PC-id_83693547	260.085	DEZXUTSBHVTQIA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017474
CN1CC(c2cc(nn2CC1=O)Br)O	PC-id_135343192,SCHEMBL20517536	260.088	LWWAUKYIFCIPQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017475
Brc1sc2c(C(=O)CCNC2=O)c1	PC-id_83679523	260.108	JDZGZYCHTQZXRN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017476
Brc1sc2c(C(=O)NCCC2=O)c1	PC-id_83679553	260.108	FMFIERXBEPETGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017477
C1CCC2=C([C@@H](C1)CC3=CC(=CC=C3)Cl)NN=C2	PC-id_154357096	260.108	ZMNLYLIVEXLPRV-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017478
[se]1nc2N(C(=O)C(OC(=O)c2n1)C)C	PC-id_10706441	260.109	BMPNRYKYKPUPEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017479
CC1(C=CC=c2c(=C1)cc(o2)CCSC)CC=C	PC-id_164023442	260.123	VBMMUUMDONEKMF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017480
BrCCn1nc2n(c1=O)CCCCC2	EMOLS-id_114841255	260.131	YDVZLPRAWWXGOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017481
BrC1CCCc2nc(sc2C1=O)C	SCHEMBL6120479,PC-id_69672329	260.151	CBWSBADEAGSUNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017482
Brc1sc2c(CC(NCC2=O)C)c1	PC-id_82380146	260.151	ITVQTPULPPYADO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017483
Brc1sc2c(CCN(CC2=O)C)c1	PC-id_82380148	260.151	GQFFAELDTLOCEM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017484
Brc1sc2CCC(=O)N(Cc2c1)C	PC-id_82380155	260.151	TZLJCGRKKZBTKM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017485
Brc1sc2CC(NCC(=O)c2c1)C	PC-id_82380145	260.151	WBCPVCXYZNQOKF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017486
Brc1sc2CN(CCC(=O)c2c1)C	PC-id_82380156	260.151	WMFILYXUJSWAMZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017487
Brc1sc(c2c1CCCNC2=O)C	PC-id_82623854	260.151	YATXXBDOQOACSQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017488
Brc1sc(c2CCCNCc12)C=O	PC-id_82380144	260.151	IHYRHSIIEJVYBQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017489
C1CN(CCc2c1c(cs2)Br)C=O	SCHEMBL12671868,PC-id_88945863	260.151	LXNDOEHQAZKAID-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017490
ClC(=CCl)Cn1cc2C(O)CCCCc2c1	EMOLS-id_314823668,PC-id_83207763	260.16	YZRIHDOAMWMPNI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017492
CC1CN(CC=C(Cl)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319993762,MCULE-7578712507	260.163	DRXYSRXAINJMQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017493
Brc1c2CCNCCc2sc1CC	SCHEMBL12636651,PC-id_58256107	260.194	RBNRQOKGLHCBSP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017494
Brc1cc2c(s1)C(C)(C)CNCC2	SCHEMBL2996169,PC-id_59302550	260.194	CKMHDPWWFFDUFD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017495
Brc1sc2c(c1N)CCCCCC2	EMOLS-id_96637321,PC-id_114749229	260.194	SIWGJIWIGYBKQZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017496
Brc1sc2c(C(CNCC2)C)c1C	SCHEMBL3004353,PC-id_59302548	260.194	NACLCPIKYIKMDL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017497
Brc1sc2c(C(CNCC2)CC)c1	PC-id_59302549,SCHEMBL2997082	260.194	LXGXMMOHTQFMDG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017498
Brc1sc2c(C(CN(CC2)C)C)c1	PC-id_69173175,SCHEMBL4748999	260.194	ADTAYWBUTYTQSV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017499
Brc1sc2c([C@H](CNCC2)CC)c1	PC-id_68470951,SCHEMBL2997083	260.194	LXGXMMOHTQFMDG-ZETCQYMHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017500
Brc1sc2c([C@@H](CNCC2)CC)c1	PC-id_68470952,SCHEMBL2997085	260.194	LXGXMMOHTQFMDG-SSDOTTSWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017501
Brc1sc2C(CN(CCc2c1)C)C	PC-id_68590039,SCHEMBL3307395	260.194	LREDBHBYSJPHBY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017502
NCc1c(Br)sc2c1CCCCC2	PC-id_114748626,EMOLS-id_96637456	260.194	IJJQFSXMOWXWRT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017503
CC(=O)OC(=O)c1cccc2=c(cc1)c(=O)oc2=O	PC-id_142547160	260.199	ZMVVYZGOODLYOD-UHFFFAOYSA-N	00000001100000000110000000000010000000000000000000000000	31-01-017504
OC(=O)c1c2-c(cccc1C(=O)O)cc(c2)C(=O)O	PC-id_139797236	260.199	YSYSHVFUCHJYPX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017505
OC(=O)c1cc2-c(c1)cc(cc(c2)C(=O)O)C(=O)O	PC-id_139786342	260.199	VTLFSRXRHZKMDK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017506
OC(=O)c1ccc2-c(cc1)c(cc2C(=O)O)C(=O)O	PC-id_101374468	260.199	LKKBXCAAWIUZGZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017507
OC1COc2c(OC1)c(sc2C(=O)O)C(=O)O	PC-id_21958360,SCHEMBL4984511	260.221	NJPLDVZZEPDJMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017508
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(=O)O	PC-id_140106505	260.242	CAJDZOUMXUXOLA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017509
CCOC(=O)CC(=O)c1c(=O)oc2-c1ccccc2	PC-id_102009737	260.242	LXOPETIJELWEED-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017510
COC(=O)c1c2-c(c(c1O)C(=O)OC)ccccc2	PC-id_102009202	260.242	XAJVSQQYQWDOIC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017511
Oc1c2-c(c(cc2C(=O)OC)C(=O)OC)cccc1	PC-id_10682741	260.242	DBBMHAWXVJOPED-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017512
O(C(=O)c1c2-c(c(c1)C(=O)OC)ccc(O)cc2)C	PC-id_15305866	260.242	BUPNVELXEQBYRY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017513
c1(C(F)(F)F)nn(c2OCCC=Cc12)C(C)(C)C	EMOLS-id_320451857,MCULE-6433218911	260.256	OEEOUOVUEPUHKY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017514
CCOC(=O)c1c(OCC)cc2-c1ccccc2O	PC-id_101223287	260.285	FDRXJHRGWUFKEA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017515
FSn1nc(c2c1CCOC(C2)(C)C)C(=O)O	PC-id_144567220	260.285	KAEBJERZNDSCFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017516
o1c2-c(cc(C(C)C)ccc2)c(c1=O)C(=O)OCC	PC-id_10264575	260.285	KYRKRVHHPYDNEC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017517
O(c1c(c(OC(=O)OC)c2-c1ccccc2)CC)C	PC-id_10753816	260.285	PBWKAWCOLVYNJS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017518
OCCOC(=O)c1cc(c2-c1ccccc2)CCO	PC-id_139248719	260.285	RSMFUSIDEGDDTJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017519
c1(C(=O)NCc2ccco2)c2CCCCCc2on1	PC-id_3241644,STOCK6S-87217,TIMTEC327313,ChEMBL-DNDi_CHEMBL1426739,ZINC22_426542,MCULE-5781480673,CHEMBL1426739,EMOLS-id_6685396	260.288	NCSLUESBWHJBMI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017520
CCc1onc(c1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_278168110	260.288	PGGZJGOLRDKIHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017521
CNC1C(=O)N(CCc2c1occ2)Cc1ccoc1	SCHEMBL14172444,PC-id_23554806	260.288	ALFXZFIOFXKCRP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-017522
O=c1nc2-c(n1CCOC1CCOC1)ccccc2	EMOLS-id_318823658	260.288	DUTWFXUCPHXBHG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-017523
Cc1cc2cc(cc(ccc1)C)c(=O)c2=C(C#N)C#N	PC-id_88881392,SCHEMBL12114056	260.29	ZAOBKMNHHSYYHE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017524
N#Cc1c2-c(n(c1=O)Cc1ccccc1)ccccc2	PC-id_15078665,SCHEMBL9157389	260.29	QWFJBCNJKWATAB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017525
N#C/C(=c/1c2cc(C)cccc(cc(c1=O)c2)C)/[N+]#[C-]	SCHEMBL12109885	260.29	XKHZFYIUAYPMMJ-COWYESDMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017526
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc(n1)C	MCULE-8631311326,EMOLS-id_320214452	260.292	PCJXXHPYJVGWSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017527
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1conc1C	EMOLS-id_320037725,MCULE-8680157366	260.292	HJGZGSOLPQBIGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017528
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nocc1C	EMOLS-id_318971642	260.292	DLAFVSOTKWMLBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017529
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ocnc1C	MCULE-2078537738,EMOLS-id_320119244	260.292	QEOOIFAUTIDGQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017530
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cnoc1	EMOLS-id_319736827	260.292	BYIQVSCHTAVUDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017531
Cc1cnc([nH]1)NC(=O)c1noc2c1CCCCC2	PC-id_86803562	260.292	MRCKMWCJIRVPSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017532
Cc1nnc2CCC(CCn12)NC(=O)c1ccoc1	EMOLS-id_50590171,MCULE-5026479196,PC-id_91910718	260.292	YNZJPJNIMHCNSJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017533
Cc1n[nH]c(c1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111940552	260.292	DIWVVUWFJAQQDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017534
Cc1noc(c1)C(=O)N1CCCc2c(C1)cnn2C	PC-id_92438036	260.292	XQLCNMFPXUGQIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017535
Cc1nocc1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_316782351	260.292	ILZWYUWBRVEVCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017536
CCc1onc(c1)C(=O)N1CCCc2c(C1)c[nH]n2	MCULE-3793347831,EMOLS-id_320321318	260.292	XSIPFSUWCIPJOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017537
CNC1C(=O)N(CCc2c1occ2)Cc1ncc[nH]1	PC-id_23554766,SCHEMBL14172435	260.292	FIUOZXPYQCKFJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017538
O=C(C1CCn2c(CC1)nnc2)NCc1ccco1	EMOLS-id_319675478	260.292	YUPWWIFCIAHJMG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017539
O=C(c1conc1C)N1CCCc2c(C1)cnn2C	EMOLS-id_316717330	260.292	UZYCOCRTBUYOST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017540
O=C(c1nn(c(n1)C)C)N1CCCc2c(C1)cco2	MCULE-1067945428,EMOLS-id_320171958	260.292	SCGZEWJOPNNPCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017541
O=C(c1n[nH]c2c1CCCCC2)Nc1conc1C	EMOLS-id_319288146	260.292	QRRCOLKTSMVAGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017542
O=C(c1noc2c1CCCCC2)Nc1ccnn1C	EMOLS-id_100979899	260.292	OHIDGZVATQKYLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017543
O=C(c1noc2c1CCCCC2)NCc1nc[nH]c1	EMOLS-id_101036035	260.292	VVBFMHZLEUKERH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017544
O=C(N1CCCc2c(C1)cco2)Cn1nccc1N	EMOLS-id_319125212	260.292	RBWCXTPHJBTOOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017545
O=C(NCc1ncc[nH]1)c1noc2c1CCCCC2	PC-id_86803061,MCULE-2784686769,ZINC22_97103138,EMOLS-id_49966436	260.292	IUFSNHXZFRIDQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017546
O=C(NCc1nnc2n1CCCCC2)c1ccoc1	EMOLS-id_30717787,CHEMBL4578048,ZINC22_48331787,PC-id_47019785,MCULE-7123270119	260.292	YNBWBGHGCDVCDX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017547
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(n1)C	EMOLS-id_319497421	260.295	HHZTYQQIQNSOCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017548
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1n[nH]nc1C	EMOLS-id_318823266	260.295	MOIFYYGWBCOMGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017549
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1n[nH]cn1	EMOLS-id_318925883	260.295	SLQGPTIHBCZNKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017550
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1nncc1	EMOLS-id_319493734	260.295	PIZMLBMCRSSMKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017551
Cc1nc(NC(=O)c2n[nH]c3c2CCCCC3)n[nH]1	STOCK7S-67746,EMOLS-id_188945319,EMOLS-id_323901673,ZINC22_190295770,MCULE-3325540265	260.295	BTGUQOJKGURZDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017552
Cc1nn[nH]c1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_278192175	260.295	XUGHGYBDSMUBOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017553
Cn1cccc1C(=O)N[C@@H]1CCc2nnnn2CC1	ZINC22_585130114	260.295	IIWPKYZDXMWKQK-SECBINFHSA-N	00000000110000000101000000000010000000000000000000000000	31-01-017554
Cn1cccc1C(=O)N[C@H]1CCc2nnnn2CC1	ZINC22_585130115	260.295	IIWPKYZDXMWKQK-VIFPVBQESA-N	00000000110000000101000000000010000000000000000000000000	31-01-017555
NC(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	PC-id_97389399,ZINC22_96067076	260.295	BSOHWXKIYRTRTR-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017556
NC(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1	ZINC22_96067077,PC-id_97389400	260.295	BSOHWXKIYRTRTR-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-017557
NC(=O)N1CC(Cn2cccn2)Cn2ccnc2C1	EMOLS-id_46160703	260.295	BSOHWXKIYRTRTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017558
Oc1cc(NCc2nnc3n2CCCCC3)ncn1	EMOLS-id_320375672,ZINC22_891555852,PC-id_145906028,MCULE-4955698919	260.295	UNNGJVRFZMZLMQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017559
O=C(c1cccn1C)NC1CCn2c(CC1)nnn2	MCULE-9336395837,EMOLS-id_177287299	260.295	IIWPKYZDXMWKQK-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-017560
O=C(c1n[nH]c2c1CCCCC2)Nc1[nH]nnc1C	EMOLS-id_258018818,MCULE-8447717735	260.295	AIRQRIQVHAPEDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017561
O=C(NCc1n2CCCCCc2nn1)c1[nH]ncc1	PC-id_60458457	260.295	IQOLLPGFQNMZOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017562
CC(C)n1c2c(CCCCCC2)c(n1)C(F)(F)F	PC-id_137483098,SCHEMBL20725338	260.299	SCJFUOAMQQUFPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017563
CCNC1CCCCc2c1cn(c2)CC(F)(F)F	EMOLS-id_315767440,PC-id_83208752	260.299	YRGVGQWHTTYYCU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017564
Cn1nc(c2c1CCCCCCCC2)C(F)(F)F	SCHEMBL18328249	260.299	RLPXICYKJDAJJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017565
CNC1CCCCc2c1cn(c2)CCC(F)(F)F	EMOLS-id_260342033,PC-id_83208465	260.299	HQZUTYYMXAQSPA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017566
FC(F)(F)CCCn1cc2C(N)CCCCc2c1	PC-id_83208509,EMOLS-id_315763609	260.299	HRVDUPDNPVHZGX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017567
Fc1ccc(Cn2[nH]c3c(CCCCC3)c2=O)cc1	PC-id_66023169	260.307	IFJDIUICIVPJKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017568
Fc1cc(Cn2[nH]c3c(CCCCC3)c2=O)ccc1	PC-id_66020906	260.307	HHMLOVWHTHDWII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017569
Fc1cncc(c1)Cn1cc2c(c1)CCCCC2O	PC-id_105571020	260.307	WSEGMGPMXDLOCM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-017570
C1n2c(CNc3cc(F)ccc3)nnc2CCCC1	PC-id_4913009,ZINC22_4343303,MCULE-8899365301,EMOLS-id_2721986,CoCoCo_5142777	260.31	KCMCWKVVYPPGFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017571
CC1CN(Cc2ccc(cn2)F)Cc2c(C1)[nH]nc2	EMOLS-id_316492158,MCULE-5377932791	260.31	PJWVDNZGMQWMBU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017572
CC1CN(Cc2ccncc2F)Cc2c(C1)[nH]nc2	EMOLS-id_318936921	260.31	IYFKVHGPEPLIOH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017573
CC1CN(Cc2ncccc2F)Cc2c(C1)[nH]nc2	EMOLS-id_318845100	260.31	DIWANOSULWOCQO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017574
C[C@H]1Cc2n[nH]cc2CN(Cc2ccc(F)cn2)C1	ZINC22_952883750	260.31	PJWVDNZGMQWMBU-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-017575
C[C@@H]1Cc2n[nH]cc2CN(Cc2ccc(F)cn2)C1	ZINC22_952883758	260.31	PJWVDNZGMQWMBU-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017576
CCS(=O)(=O)CC1CCCCc2n1c(=O)on2	SCHEMBL6797813,PC-id_23500591	260.31	JSYBMOCENIUCRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017577
Fc1ccccc1CNc1nnc2n1CCCCC2	EMOLS-id_33382691,PC-id_4752690,MCULE-9525551934,ZINC22_16769829	260.31	TYCSMTGKAQBPAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017578
Fc1ccccc1NCc1nc2n(n1)CCCCC2	CoCoCo_6602057,ZINC22_28527870,PC-id_35754638	260.31	RYTILBVXHVSEMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017579
Fc1ccccc1NCc1nnc2CCCCCn12	EMOLS-id_2854013,PC-id_3737374,ZINC22_3885553,CoCoCo_6271323,MCULE-6840356686	260.31	WYSRPGBDMWSSKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017580
Fc1cccc(CNc2nnc3n2CCCCC3)c1	PC-id_4752599,MCULE-6516747454,ZINC22_16769777	260.31	BNJCRQYRZSZSKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017581
Fc1ccc(CNc2nnc3n2CCCCC3)cc1	ZINC22_16769585,PC-id_4752345,MCULE-3587586514	260.31	ILCPNHLCUIMHQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017582
Fc1cccc(NCc2nc3n(n2)CCCCC3)c1	CoCoCo_6601914,ZINC22_28527803,PC-id_35754635	260.31	RQEJXBVJXHUZAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017583
Fc1cccnc1CN1CCCc2c(C1)cnn2C	EMOLS-id_319774880	260.31	YJNXPVVYQMFYAR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017584
Fc1ccc(NCc2nnc3CCCCCn23)cc1	MCULE-5255889376,EMOLS-id_2933150,CoCoCo_6270039,PC-id_3398336,CHEMBL1426033,ZINC22_3881049	260.31	LAGREOKOUPDZHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017585
c12C(=O)NCCCc1nc(Oc1ccccc1)s2	ZINC22_265886,CHEMBL1372827,MCULE-5688368309,ChEMBL-DNDi_CHEMBL1372827,PC-id_776318,EMOLS-id_42657645	260.312	SWHLSNROQDBUCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017586
c1(CN(C)S(=O)(=O)C)nnc2CCOCCn12	ZINC22_2356148025,MCULE-3638239211,EMOLS-id_337787967	260.313	CXMKYQQUOZUFDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017587
CCCS(=O)(=O)N1CCc2n[nH]c(=O)n2CC1	EMOLS-id_50585847,CHEMBL4540103,MCULE-7812772798,PC-id_91910604	260.313	UDQKEIJCTYPELZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017588
C
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C1/C=C(C)/Cc2occ(c2C/C=C(/C1)C(=O)OC)C	UNPD78894,PC-id_21669862,CMNPD1461	260.328	JTPNVTVKRKPGBJ-RKLIXYOZSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017590
C/C/1=C/CCC(=CCc2c(C1)occ2C)C(=O)OC	PC-id_134742333	260.328	JTPNVTVKRKPGBJ-PLGDOWEJSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017591
C=C1/C=C/[C@H](OC)[C@@H](C)CC(=O)c2c(C)coc2C1	CHEMBL448134,NP_65148,UNPD46643,PC-id_10923274,NP_34518	260.328	KYVMPRMAGALGDM-CCJKYYKNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017592
CC1C(OC)C=CC(=C)Cc2occ(C)c2C(=O)C1	MCULE-1731665634,CNP0376235,PC-id_91136251	260.328	KYVMPRMAGALGDM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017593
CC(=O)O/C/1=CCc2c(C)coc2C/C(=C/CC1)/C	PC-id_44559117,CHEMBL464405,ChEMBL-DNDi_CHEMBL464405,UNPD167361	260.328	QPQKXXMTYHEMTK-ZOGITPQLSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017594
CC(=O)O/C/1=C/Cc2c(C)coc2C/C(=C/CC1)/C	UNPD58151,PC-id_44559118,CHEMBL464614,ChEMBL-DNDi_CHEMBL464614	260.328	QPQKXXMTYHEMTK-MGWWGBHMSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017595
CC(=O)OC1CCCc2ccc(o2)CCCCC#C1	PC-id_102163406	260.328	LUTCZZDCSRBNLA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017596
CO[C@H]1/C=CC(=C)Cc2c(C(=O)C[C@@H]1C)c(C)co2	NP_65147,NP_65145,UNPD183012,PC-id_101149319,NP_65146	260.328	KYVMPRMAGALGDM-NCETYUCASA-N	00000000100000000110000000000010000000000000000000000000	31-01-017597
CO[C@@H]1/C=CC(=C)Cc2c(C(=O)C[C@H]1C)c(C)co2	PC-id_101149320	260.328	KYVMPRMAGALGDM-WLFDKREMSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017598
CO[C@@H]1/C=C/C(=C)Cc2c(C(=O)C[C@@H]1C)c(C)co2	UNPD150058	260.328	KYVMPRMAGALGDM-YNVXZPTESA-N	00000000100000000110000000000010000000000000000000000000	31-01-017599
CO[C@@H]1/C=C/C(=C)Cc2occ(C)c2C(=O)C[C@H]1C	EMOLS-id_337868380	260.328	KYVMPRMAGALGDM-VYBLIETJSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017600
COC(=O)/C/1=CCc2c(C)coc2CC(=CCC1)C	UNPD220188	260.328	JTPNVTVKRKPGBJ-PNXBHFPTSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017601
o1c2c(C/C=C(CC/C=C(C2)/C)/C(=O)OC)c(c1)C	PC-id_5370080	260.328	JTPNVTVKRKPGBJ-BJRDOJSTSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017602
O=C(O/C/1=CCc2c(occ2C)C/C(=CCC1)/C)C	PC-id_75069343,CNP0136057	260.328	QPQKXXMTYHEMTK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017603
O=C(OC)/C/1=CCc2c(occ2C)C/C(=CCC1)/C	CNP0318586,PC-id_572816	260.328	JTPNVTVKRKPGBJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017604
OC1c2c(CCCC1)cn(c2)Cc1c(onc1C)C	PC-id_83208255	260.331	QBQJNHKMFIPYOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017605
CC1=CCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102627763	260.332	KZCHICINJJSPEB-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-017606
C=C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102768889	260.332	AXDZNMZQDOKEQV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017607
CC1=CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102773538	260.332	INTYNNNPFQPMFG-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-017608
CCCC1=Cc2nc(cn2C=C(C1)C)C(=O)OCC	PC-id_91014975	260.332	FNXPCMBLOXGHLW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017609
COC(Cn1c(=O)nc2-c1ccccc2)CC(C)C	EMOLS-id_319085304	260.332	XNMZMCVZHCZLOA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-017610
O=c1nc2-c(n1CCCOC(C)(C)C)ccccc2	EMOLS-id_318819442	260.332	KPZYXJVQULAAMP-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-017611
O=Cc1cn2c(c1)CN(CCC2)C(=O)C1CCCC1	PC-id_144264894	260.332	OYJIBTIKVFVDES-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-017612
O=C(c1noc2c1CCCCC2)NC1CC2C(C1)C2	EMOLS-id_102241490	260.332	DRKWUUPDJNYLRN-UHFFFAOYSA-N	00100010100010000101010000000010000000000000000000000000	31-01-017613
O=C(c1noc2c1CCCCC2)NC1CCCC=C1	EMOLS-id_100996061	260.332	MTZHPYOOFZMTOA-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-017614
O=C(N1CCCC1)Cn1cc2CCCCC(=O)c2c1	PC-id_83209111	260.332	UQCZWPKROMCFMV-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017615
O=C(N1CCCc2c(C1)cco2)NC1CCC=CC1	EMOLS-id_102491007	260.332	ZBFFJDLTPSWHHY-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-017616
O=C(N1CCCc2c(C1)cco2)NC1CCCC=C1	EMOLS-id_102733350	260.332	HIVOKKBRVHKSGZ-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-017617
O=C(N(C1CC1)C)Cn1cc2CCCCC(=O)c2c1	PC-id_83206024	260.332	JSXQZHPYZYYJOE-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-017618
O=C(NC1CC1)CCn1cc2CCCCC(=O)c2c1	PC-id_83206674	260.332	CBTPJKBOLCLVNB-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-017619
O=C(NCC1CC1)Cn1cc2CCCCC(=O)c2c1	PC-id_83207158	260.332	XEXVWODNWYCHAI-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-017620
N(=Nc1ccc(cc1)C)c1c2-c(c(c1)C)ccccc2	PC-id_10801329	260.333	SDJYQCPGKQNVFY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017621
c12CN(CCCn1nc(C#N)c2)CC1CCCOC1	MCULE-7160826562,EMOLS-id_222761994	260.335	DBTIWLFWUOSXQY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017622
c1coc(CNCCc2nnc3n2CCCCC3)c1	MCULE-2438933613,ZINC22_67698258,EMOLS-id_36945186,PC-id_56824282	260.335	ZZABBBHPEHPRHT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017623
CC1=CCCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319975852,MCULE-7423641476	260.335	BQZYTTOBUKCOHB-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-017624
Cc1ccc(o1)CNCc1nnc2n1CCCCC2	PC-id_121846674,MCULE-4893867987,EMOLS-id_50952502	260.335	MLIICYDDFQRYAW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017625
C=C1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320030254,MCULE-8965876776	260.335	SPKZTUDCBPIUMV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017626
CC1CN(Cc2c(C1)[nH]nc2)C(c1ncc(o1)C)C	EMOLS-id_319492289	260.335	SIEZEOJCOGWBLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017627
CCc1ncc(o1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319473666	260.335	YLQBBDBBTCPJDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017628
CC(c1nnc2n1CCN(CC2)Cc1cocc1)C	CoCoCo_1548832,CoCoCo_1548831,PC-id_42398869	260.335	PFROAQVLHFDKIU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017629
CCc1nocc1CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318856640	260.335	KKDNMJFKOBUOHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017630
CC#CCCNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101705753	260.335	YXSZLTNTPBTXFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017631
CC(C)n1c2c(CCCNCCCC2=O)c(n1)C#N	PC-id_134308850,SCHEMBL19928391	260.335	GBRSQSPHDVUUGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017632
C#CCNCC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319551440	260.335	BCCHMOMJWXPNAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017633
CCC(NC(=O)C1CCn2c(CC1)nnc2)(C#C)C	EMOLS-id_316595267	260.335	GNBSZYPJYSCMGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017634
CCN(C1=NN(C)C(=O)n2c(C=C1C)ccc2)CC	PC-id_101042615	260.335	GUYJULYOZGBNKD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017635
CNc1[nH]c2=C(C)CC=C(N=c2n1)C(=O)CC(C)C	PC-id_143720532	260.335	KFQGJJMNLFEHID-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017636
CN(Cc1ccco1)C1CCc2nnc(C)n2CC1	EMOLS-id_97080854,MCULE-2230354129	260.335	NREPGFWQHLACER-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017637
N#Cc1cc2n(n1)CCCN(C[C@H]1CCCOC1)C2	ZINC22_670445000	260.335	DBTIWLFWUOSXQY-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017638
N#Cc1cc2n(n1)CCCN(C[C@@H]1CCCOC1)C2	ZINC22_670445001	260.335	DBTIWLFWUOSXQY-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017639
o1cc(CNC(c2n3CCCCCc3nn2)C)cc1	PC-id_55138048	260.335	GQXOSENGMGPTQK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017640
o1c(CNC(c2n3CCCCCc3nn2)C)ccc1	PC-id_43746933	260.335	SJILFYAWRPXCDI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017641
o1c(nnc1CC)Cn1cc2C(N)CCCCc2c1	PC-id_83208319	260.335	KFJKOGJSZLSIMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017642
o1c(nnc1C)Cn1cc2C(NC)CCCCc2c1	PC-id_83207878	260.335	LSURCTAALWLSKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017643
o1nc(Cn2cc3C(NC)CCCCc3c2)c(n1)C	PC-id_83208735	260.335	PDOIUPFBUUNJJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017644
o1nc(nc1CC)Cn1cc2C(N)CCCCc2c1	PC-id_83208433	260.335	MDWSSOZVAGIEBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017645
o1nc(nc1C)Cn1cc2C(NC)CCCCc2c1	PC-id_83208909	260.335	AFWAJYZZHQEKSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017646
o1nc(nc1Cn1cc2C(N)CCCCc2c1)CC	PC-id_83208029	260.335	GTCPITUTJCHADJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017647
o1nc(nc1Cn1cc2C(NC)CCCCc2c1)C	PC-id_83208895	260.335	LLIXZFCHRQSIAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017648
o1nc(nc1)Cn1cc2C(NCC)CCCCc2c1	PC-id_83208088	260.335	GMRIYBZAUADJHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017649
OC1c2c(CCCC1)cn(c2)Cc1n(c(nn1)C)C	PC-id_83208059	260.335	SVEMMFOJFNEQJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017650
OC1c2c(CCCC1)cn(c2)Cc1n(ncn1)CC	PC-id_83208881	260.335	PLOAQNPXSOYJJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017651
O=C(C1CCn2c(CC1)nnc2)NC1(CC1)C1CC1	EMOLS-id_320284174,MCULE-5729318992	260.335	UPSFCRRYFRSHNA-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-017652
O=C(C1CCn2c(CC1)nnc2)NC1(C)CC=CC1	EMOLS-id_278183706	260.335	WDQKCUDCZQMQPN-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-017653
O=C(C=C1CCNCC1)N1CCCc2n[nH]cc2C1	ZINC22_952894559,EMOLS-id_316170071,MCULE-5803842013	260.335	NZGRJHJKOBHAJO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017654
O=C(NCCC#N)Cn1cc2C(N)CCCCc2c1	PC-id_83208885	260.335	FZMLQBQBNXJJOJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017655
O=C(N(CC#N)C)Cn1nc2CCCCCCc2c1	PC-id_53015702	260.335	ROLKKIUPRKSNMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017656
O=C(NCC#N)Cn1cc2C(NC)CCCCc2c1	PC-id_83208470	260.335	XGXOUSQUHJANCS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017657
c1(C(CC)n2ncc(N)c2)nnc2n1CCCCC2	EMOLS-id_27336120,MCULE-3933503002,PC-id_45602159	260.338	OUPZKERTYMBJLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017658
c1(C(C)(C)n2ncc(N)c2)nnc2n1CCCCC2	EMOLS-id_27336240,MCULE-2259821525,ZINC22_36644401,PC-id_45923665	260.338	HEUVGAYRDPMCHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017659
c1(CCn2nc(C)c(N)c2)nnc2n1CCCCC2	PC-id_45602150,EMOLS-id_27336102,ZINC22_35655666,MCULE-2460870709,CoCoCo_6788374	260.338	QQMOKMQWDRSUGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017660
C1Cn2c(CCn3nc(N)cc3C)nnc2CCC1	EMOLS-id_27336088,MCULE-8222948776,ZINC22_35655658,CoCoCo_6788365,PC-id_45602144	260.338	VUMRJAIDQDZSHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017661
CC1CN(CCc2nnn(c2)C)Cc2c(C1)[nH]nc2	MCULE-7584179510,EMOLS-id_320100920	260.338	YKGGVWQHNZTLSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017662
Cc1nn([C@H](C)c2nnc3n2CCCCC3)cc1N	CoCoCo_6788353,ZINC22_35655648,PC-id_51698683	260.338	KYMJIONEPWWIIS-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017663
Cc1nn([C@@H](C)c2nnc3n2CCCCC3)cc1N	ZINC22_35655647,PC-id_51698682,CoCoCo_6788354	260.338	KYMJIONEPWWIIS-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-017664
CCc1nc(CN2CCCc3c(cnn3C)C2)n[nH]1	EMOLS-id_101742817,MCULE-7146562669,ZINC22_333191027	260.338	VBAZRYMJPIAJBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017665
CC(c1nnc2CCCCCn12)n1cc(N)c(C)n1	PC-id_45602135,MCULE-3995971291,EMOLS-id_27336068	260.338	KYMJIONEPWWIIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017666
CC[C@H](c1nnc2n1CCCCC2)n1cc(N)cn1	CoCoCo_6788389,PC-id_51698695,ZINC22_35655676	260.338	OUPZKERTYMBJLK-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017667
CC[C@@H](c1nnc2n1CCCCC2)n1cc(N)cn1	CoCoCo_6788390,PC-id_51698694,ZINC22_35655675	260.338	OUPZKERTYMBJLK-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-017668
C#CCNC(=NC)NCc1nnc2n1CCCCC2	PC-id_119149044	260.338	SBTRSOMYUMFCDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017669
CCn1ncnc1CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319244679	260.338	BGMCLZISTLLDAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017670
CNC1CCCCc2c1cn(c2)Cc1nnn(n1)C	PC-id_107045594	260.338	GYRODORTODMYQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017671
c1(c2-c(cc1)ccccc2)C=Cc1c2-c(cc1)ccccc2	PC-id_71330255	280.362	AWIHACLPIMKXFT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025200
CN(Cc1cc2CNCCCn2n1)Cc1ncc[nH]1	MCULE-6471590276,PC-id_56892080,ZINC22_72145404,EMOLS-id_43098043	260.338	VAFQTXFAJLTJGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017672
n12CCCCCc1nnc2C(NCc1[nH]ccn1)C	PC-id_61558286	260.338	PWLRTVQYUBOGLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017673
n12CCCCCc1nnc2C(NCc1[nH]cnc1)C	PC-id_62761405	260.338	XFWBCYYWJZHUGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017674
n12CCCCCc1nnc2C(NCc1[nH]ncc1)C	PC-id_43746966	260.338	PVNGVLXPBAHABS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017675
Cc1ccc(o1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_314557120,PC-id_61713732	260.351	SIWKJFMDBLUQHJ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-017676
CCOc1cccc(OCC)c2-c1c([n+](c2C)C)C	MCULE-3838081260,SCHEMBL14345871,PC-id_750356,CoCoCo_1811359,EMOLS-id_4447685,CK3023675	260.351	ACAYZFDPYPUZOJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017677
O=C(c1cc2c(s1)CCCCC2)Cc1ccco1	PC-id_113660834	260.351	MISWASXRWFBRIK-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-017678
O=C(c1cc2c(s1)CCCCC2)Cc1cocc1	PC-id_113660850	260.351	WBVQYCOAATVMOB-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-017679
S(CCc1c2-c(c(c1)C(=O)O)ccccc2)CC	PC-id_85570890	260.351	ATCSAHKORWDZIB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017680
CC(=C)Cc1[pH]c(c2c1CCCCC2)CC(=C)C	PC-id_101497420	260.354	CHYQUJYJYAANDU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017681
C1CCc2c(CN1)sc(n2)COc1ccccc1	PC-id_66608941,SCHEMBL158128	260.355	FNMZJSJAUFJXTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017682
c1(NC(=O)C2CC2)sc2c(CCCCC2)c1C#N	MCULE-1132137651,EMOLS-id_2368034,ZINC22_43173,ChEMBL-DNDi_CHEMBL1568689,CoCoCo_682188,CHEMBL1568689,PC-id_679001	260.355	APBMWRVOIVNADD-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-017683
Cc1csc(n1)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_315763092,PC-id_83206158	260.355	XCZICSDBEHPJKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017684
Cc1ncc(s1)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_315761045,PC-id_83206543	260.355	JDDNGSXYGGYQQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017685
Cc1scc(n1)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_314915254,PC-id_83205871	260.355	QFNHXCYZJKGPQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017686
CC=CC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_73010524,EMOLS-id_315052471	260.355	FQMJLARYYSOGTH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017687
C/C=CC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_97304960	260.355	FQMJLARYYSOGTH-KXFIGUGUSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017688
CCCC(=O)N(Cc1nc2=CC=C=CC=c2s1)C	PC-id_144658381	260.355	XICUAFIFRQESNS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017689
Cn1ccc(n1)C(=O)c1cc2c(s1)CCCCC2	PC-id_103133873	260.355	RSDNLFNXKBROSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017690
Cn1ccnc1C(=O)c1cc2c(s1)CCCCC2	PC-id_61314191,EMOLS-id_314558350	260.355	OVCTXDSJGRYFHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017691
Cn1nccc1C(=O)c1cc2c(s1)CCCCC2	PC-id_114972615	260.355	YCELUEWEWZZNCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017692
OC(c1cc2c(s1)CCCCC2)c1cnccn1	PC-id_113661360	260.355	WPXZYHOYFJMPEV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017693
OC(c1cc2c(s1)CCCCC2)c1cncnc1	PC-id_115781606	260.355	FVHAYEKFPURBTQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017694
O=C(c1cc2c(s1)CCCCC2)Cc1ncc[nH]1	EMOLS-id_314070810,PC-id_43463668	260.355	QNPOGRSKZVAPAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017695
s1c2CCCCCc2cc1C(=O)c1cn(nc1)C	PC-id_43463303	260.355	VMQFLKOTVBIJEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017696
s1c2CCCCCc2c(c1NC(=O)/C=C/C)C#N	PC-id_71627613	260.355	FQMJLARYYSOGTH-QHHAFSJGSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017697
s1c2CCCCNc2nc1COc1ccccc1	PC-id_28904011	260.355	LQNUECNQDKOFJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017698
Nc1ccccc1Sc1nnc2n1CCCCC2	EMOLS-id_314027489,PC-id_28401615	260.358	PWGQHARZFXYPPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017699
Nc1ccc(cc1)Sc1nnc2n1CCCCC2	PC-id_28401612,EMOLS-id_314027233	260.358	QDYGHXMXZLFFDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017700
Nc1cccc(c1)Sc1nnc2n1CCCCC2	PC-id_60877475,EMOLS-id_314593284	260.358	QHJUFWCTLUOVGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017701
S(c1n2CCCCCc2nn1)Cc1ncccc1	PC-id_60354756	260.358	YWKMHPWHIPJEBJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017702
O=C1CCCCCCCCCc2cc(/C(=C
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O=C(C1=C(C)c2coc(c2CCC1)C(C)C)C(C)C	PC-id_101789547	260.371	TVRYODRPGMLNIU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017704
O=C(c1occ2c1CCCCCC2)C1CCCCC1	PC-id_122230283	260.371	NSSIRVOSIWBEKY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-017705
c12-c(ccc1Cc1ccccc1)ccc(C(C)C)cc2	PC-id_13849076	260.373	GTSMEEJMBDUBLQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017706
c12-c(ccc1Cc1ccccc1)cc(C(C)C)ccc2	PC-id_15602625	260.373	ACWPUNONHDFCNW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017707
c12-c(cc(c1)Cc1ccccc1)cccc(C(C)C)c2	PC-id_22634760	260.373	SWRDNSNPQBNYAC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017708
c1(CCc2ccccc2)c2-c(c(cc(c1)C)C)ccc2	PC-id_86111765	260.373	WLRRSRLATOVNSW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017709
CCCc1c(c2=NC=CC(C=c2n1C)(C)C)CCO	PC-id_91454451	260.375	WPLRGXGSBSOCKE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017710
CCCN(c1nc2c(o1)C=CC(C=C2)(C)C(C)C)C	PC-id_142555361	260.375	YYJRYNGEGGFFLA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017711
OC1c2c(CCCC1)cn(CCCC(C)(C)C#N)c2	PC-id_83208244	260.375	DRHJZIYPMPVZNN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017712
O=C1c2c(CCCC1)cn(CCCN1CCCC1)c2	PC-id_83208680	260.375	GGLXNTLENCUOQQ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017713
O=C1c2c(CCCC1)cn(CCN1CCCCC1)c2	PC-id_83207011	260.375	MFGMRUPTQRTJSW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-017714
CN(S(=O)(=O)c1cc2c(s1)CCNCC2)C	PC-id_11529035,TT-id_D0KO2E,SCHEMBL3007345	260.376	XGZVJOHASHFUBE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017715
CS(=O)(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_102266702	260.376	XLSWBJVQKFOXFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017716
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CC(C)C1C=CCN1Cc1cc2CNCCCn2n1	EMOLS-id_49874052,PC-id_77082925,MCULE-5047550778	260.378	HZXJBHKVVUVUJI-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-017719
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CC(C)[C@H]1C=CCN1Cc1cc2n(n1)CCCNC2	PC-id_99930069,ZINC22_215306220	260.378	HZXJBHKVVUVUJI-OAHLLOKOSA-N	00000011100000000101000000000010000000000000000000000000	31-01-017721
CC(C)[C@@H]1C=CCN1Cc1cc2n(n1)CCCNC2	ZINC22_215306180,PC-id_99930068	260.378	HZXJBHKVVUVUJI-HNNXBMFYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-017722
n12CCCCCc1nnc2NCCC1=CCCCC1	PC-id_20873278	260.378	UNVMSNXOKBVMCL-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-017723
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s1cc(CCn2cc3C(N)CCCCc3c2)cc1	PC-id_83207764	260.398	CQGRQOXLWSVHNY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-017727
s1c(CCn2cc3C(N)CCCCc3c2)ccc1	PC-id_83208209	260.398	RLONTIPHABPESC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-017728
s1cc(Cn2cc3C(NC)CCCCc3c2)cc1	PC-id_83208820	260.398	YIYCKTIHKSZFHX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-017729
s1c(Cn2cc3C(NC)CCCCc3c2)ccc1	PC-id_83208258	260.398	OXMXKFDTFRVDPZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-017730
n1(CC2CCCC2)cc2C(NCC)CCCCc2c1	PC-id_83208581	260.418	LCPNVOGKRGTBIK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017731
n1(CC2CCCCC2)cc2C(NC)CCCCc2c1	PC-id_83208468	260.418	JDGCBHWQLSQSSP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-017732
S(c1ccc2-c(c([n+](c2C)CCCC)C)cc1)C	PC-id_12493587	260.418	BXWHYMTZIJGIBJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017733
ClC1=Cc2c(Br)cn(c2N=CC1)N	SCHEMBL18634151	260.518	OHABWZSNGNLMIW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017734
Clc1cc2-c(c1C(C(F)(F)F)O)ccccc2	PC-id_101740552	260.64	DMUNDADVOKDLQZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017735
Clc1cc2-c(c1[C@H](C(F)(F)F)O)ccccc2	PC-id_101362047	260.64	DMUNDADVOKDLQZ-LLVKDONJSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017736
Clc1cc2-c(c1[C@@H](C(F)(F)F)O)ccccc2	PC-id_101362048	260.64	DMUNDADVOKDLQZ-NSHDSACASA-N	00000010100000000110000000000010000000000000000000000000	31-01-017737
Clc1cc(c2-c1ccccc2)C(C(F)(F)F)O	PC-id_101720474	260.64	NQBWQDBSUWAWOW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017738
Clc1cc(c2-c1ccccc2)[C@H](C(F)(F)F)O	PC-id_102509615	260.64	NQBWQDBSUWAWOW-LLVKDONJSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017739
Clc1cc(c2-c1ccccc2)[C@@H](C(F)(F)F)O	PC-id_102509616	260.64	NQBWQDBSUWAWOW-NSHDSACASA-N	00000010100000000110000000000010000000000000000000000000	31-01-017740
ClC(=O)CCCC(=O)c1c2-c(cc1)ccccc2	PC-id_72712756	260.716	NKOAWUJHNZNLBY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017741
ClC(=O)c1c2-c(c(c1)CC)ccc(C(C)C)cc2	PC-id_85564944	260.759	KBQCQBGLALYHIN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017742
C1CCc2c(C(C1)Cc1cc(ccc1)Cl)[nH]nc2	PC-id_91159229	260.762	ZMNLYLIVEXLPRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017743
Clc1ccccc1Cc1n[nH]c2CCCCCc12	EMOLS-id_337933332	260.762	UGEJWNXEBBCQIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017744
Clc1ccc(Cc2n[nH]c3CCCCCc23)cc1	EMOLS-id_337932819	260.762	QFEFGEWKFZYZDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017745
Clc1cccc(Cc2n[nH]c3CCCCCc23)c1	EMOLS-id_337935123	260.762	JYTGXNQYXPARDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017746
Clc1n(Cc2ccccc2)nc2c1CCCCC2	EMOLS-id_114842291,PC-id_66023000	260.762	FEYKDTYMVRTWJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017747
C1=CN(I=C2C=CNC2=C1)[O-]	PC-id_152815295	260.953	SSGJLQIUPWQQRX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017748
c1(C(=O)O)nn2c(OCCCC2)c1Br	MCULE-4793110600,PC-id_100010784,ZINC22_218297082,EMOLS-id_50383200	261.073	KNZGOJCEOAVIFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017749
Brc1n2CCN(CCc2nn1)C(=O)O	SCHEMBL1497210,PC-id_67054378	261.076	SMKDWCGXXWMKFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017750
O(C(=O)c1c2c(n(c1)B(O)C)CCC=CC2=O)CC	PC-id_20762199	261.081	HBDNQIAAEUFKFT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017751
C1=CC=C(C=C1)NN2C3=CC=CC=CC3=C(C2=O)C#N	PC-id_165345105	261.09	CYJGNOUXYAHDME-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017752
C1=CC=C(C=C1)CNC(=O)C2=C3C=CC=CC=C3C=C2	PC-id_154060742	261.115	QKBZLVSNQDCWRV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017753
C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=CC3=C2	PC-id_153935843	261.115	PCFAZYJOQLHOJE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017754
BrCCC1CCCCc2n1c(=O)on2	PC-id_23500581,SCHEMBL6793212	261.116	NGISQCDLIMTOPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017755
BrCCC1CCCCn2c1noc2=O	PC-id_139916162	261.116	PIZKIMDCEIMUPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017756
BrCC[C@@H]1n2c(noc2=O)CCCC1	PC-id_59924260	261.116	NGISQCDLIMTOPW-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017757
O(C(=O)c1c2c(n(c1)B(O)C)CCCC=C2C)CC	PC-id_20762197	261.125	JZBFZKQSDIRYCB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017758
CCC1/C=CC=C/CNC2=C(C=C(S2)C)C(=N1)N	PC-id_163743327	261.13	LJRCISKESPECAZ-PEPZGXQESA-N	00000000100000000111000000000010000000000000000000000000	31-01-017759
CC[C@@H](C=O)[C@H]1C=CCCN2C1=CC=C2C(=O)OC	PC-id_164675410	261.136	AAWGPZIRSKVXTD-NWDGAFQWSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017760
BrC1CCCc2nc(sc2C1=O)N	SCHEMBL3802844,PC-id_25130494	261.139	UABZXHDSLZRWKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017761
BrC1CCCc2sc(nc2C1=O)N	PC-id_59549573,SCHEMBL13125946	261.139	STCAYRMRYJSYOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017762
CN1CCC(=O)Nc2c1sc(c2)Br	PC-id_96259971	261.139	FMAXLLNYYICRLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017763
OC(=O)On1nnc2c1C=C(C=CC2)C(F)(F)F	PC-id_142934878	261.157	XWGINAWLEYWLDV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017764
CC(C)(C)C1C=CC2=C(N(C1=O)C(C)(C)C)OC=C2	PC-id_161706048	261.173	OBVJWZMNZNNKJQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017765
Brc1cc2c(s1)C(C)(C)CNNC2	SCHEMBL5552232,PC-id_69484631	261.182	IDJFNUSTDVVGLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017766
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)[O-]	PC-id_7174634	261.22	DFMVUFNGENZIPQ-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-017767
O([N+](=O)[O-])Cc1c2-c(c(cc2)C(=O)OC)cccc1	PC-id_85646911	261.23	UWINJTBGIAANOX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017768
c1(C(=O)O)c2CCCCCc2n(C)c1C(F)(F)F	MCULE-2015236556,EMOLS-id_324784570	261.24	WXDSWCDDIRLQPP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017769
FC(F)(F)OCCn1cc2CCCCC(=O)c2c1	EMOLS-id_315764627,PC-id_83206383	261.24	ZTXWYIWQUVBRSW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017770
O=C1CCCCc2c1cn(c2)COCC(F)(F)F	PC-id_106705425	261.24	KACCRTLTOCNJHN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017771
[N-]=[N+]=Nc1nn2c(c1)N(C)C(=O)C(CCC2)N=[N+]=[N-]	PC-id_140764743	261.243	RTTIMFZHZFRMHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017772
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(F)(F)F	EMOLS-id_318777836	261.244	WBZQQMJKCOYJLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017773
CNC1CCn2c(N(C1=O)C)cc(c2)C(F)(F)F	SCHEMBL19255645	261.244	HTLFXEVSDRKDBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017774
NC(=O)C1CCc2c(CC1)cn(n2)CC(F)(F)F	PC-id_140903844	261.244	CNFLZILCNHNLME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017775
O=C(N1CCCc2c(C1)c(C)[nH]n2)CC(F)(F)F	SCHEMBL17232680,PC-id_118491663	261.244	JHHUIISZBIMCQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017776
CNC1C(=O)N(CCc2c1occ2)Cc1ccno1	PC-id_23554913,SCHEMBL14172461	261.276	KUMNZKOZIOTIBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017777
CNC1C(=O)N(CCc2c1occ2)Cc1cocn1	PC-id_23554564,SCHEMBL14172418	261.276	PPVISIRLRBGOKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017778
CNC1C(=O)N(CCc2c1occ2)Cc1ncco1	PC-id_23554556,SCHEMBL14172439	261.276	GQNOKYWMKYULPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017779
CNC1C(=O)N(CCc2c1occ2)Cc1ocnc1	PC-id_23554568,SCHEMBL14172436	261.276	DVDZCMLGYYYETH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017780
CNC1C(=O)N(CCc2c1ocn2)Cc1cocc1	SCHEMBL14172379,PC-id_23554805	261.276	ZVCQWIOJMFMMNM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017781
CO[C@@H]1CN(C(=O)c2ccco2)Cc2ccnn2C1	ZINC22_247888631	261.276	SKZDWSAXTXRJKC-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017782
CO[C@H]1CN(C(=O)c2ccco2)Cc2ccnn2C1	ZINC22_247888633	261.276	SKZDWSAXTXRJKC-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-017783
CO[C@@H]1CN(C(=O)c2ccoc2)Cc2ccnn2C1	ZINC22_247829340	261.276	HBCJJMRCJFGPFG-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017784
CO[C@H]1CN(C(=O)c2ccoc2)Cc2ccnn2C1	ZINC22_247829345	261.276	HBCJJMRCJFGPFG-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017785
O=c1n2CCCCCc2nn1CC(=O)c1occc1	PC-id_62022881	261.276	XZIAJKCIDCIKND-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017786
c1(C(=O)Nc2cc(on2)C)c2CCCCCc2on1	EMOLS-id_2594008,ZINC22_426581,PC-id_3241508,TIMTEC585559,MCULE-7285296073,ChEMBL-DNDi_CHEMBL1402437,CHEMBL1402437	261.277	YYWRQNSDIUABGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017787
Cc1cc(NC(=O)N2CCCc3occc3C2)on1	ZINC22_1875259067	261.277	UJBIRWOSWMDRQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017788
c1(cc2-c(c1)ccccc2)C=Cc1cc2-c(c1)ccccc2	PC-id_71353011	280.362	BSJNSOUVLZAKAA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025201
COC1CN(Cc2ccnn2C1)C(=O)c1ccco1	EMOLS-id_50011446	261.277	SKZDWSAXTXRJKC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017789
COC1CN(Cc2ccnn2C1)C(=O)c1ccoc1	EMOLS-id_50011344	261.277	HBCJJMRCJFGPFG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017790
COc1[nH]nc(c1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319721357	261.277	HYWFWLOGFYXRAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017791
Oc1nn(c(c1)C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_319190121	261.277	XBBBKNVFKGPVLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017792
O=Cc1ccc(o1)Cn1nc2n(c1=O)CCCCC2	PC-id_104071872	261.277	WEDLSQYZYUUCPE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017793
O=C(c1c[nH]c(=O)n1C)N1CCCc2c(C1)cco2	EMOLS-id_319846918	261.277	OIHVTGRXADNKDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017794
O=C(N1CCCc2c(C1)cco2)Cc1nnc(o1)C	EMOLS-id_99401790	261.277	KBHMWWJGGRMLOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017795
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH][nH]c(=O)c1	PC-id_145909784,EMOLS-id_319701710,MCULE-9449699091	261.28	PLYFFPNRGPJAPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017796
Cc1[nH]nc(n1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111829181	261.28	NTZHIGMEFDFQIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017797
Cc1nnc2n1CCC(CC2)NC(=O)c1cnco1	MCULE-2507368780,EMOLS-id_50590367,PC-id_91922612	261.28	HYAOGDGSSDZOCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017798
Cc1noc(n1)CN1CCCC(=O)c2c1n(C)nc2	SCHEMBL16260504,PC-id_117715190	261.28	XIAMVBXMMRRPNV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017799
C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2cc(O)n[nH]2)C1	ZINC22_1875392711	261.28	PLYFFPNRGPJAPF-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017800
C[C@H]1Cc2n[nH]cc2CN(C(=O)c2cc(O)n[nH]2)C1	ZINC22_1875392712	261.28	PLYFFPNRGPJAPF-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017801
Cn1cc(C(=O)N2CCCc3n[nH]cc3C2)nc1O	MCULE-4802751980,ZINC22_708419844,EMOLS-id_316190544	261.28	MTJKLGWDTIEHFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017802
Cn1cnc(n1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_110878646	261.28	LDIUAQDMJYCTHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017803
CNC1C(=O)N(CCc2c1ocn2)Cc1[nH]ccn1	SCHEMBL14172373,PC-id_23554765	261.28	OFAYSYUDXMUASP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017804
C(=O)(c1cnccc1)O.n1nn2c(n1)CCCCC2	CHEMBL350551	261.28	AXVUGLQPHRGNJY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017805
O=C(c1cnc2n1CCCCC2)NCc1cnon1	EMOLS-id_318908985	261.28	AYVPDAAUAKMHJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017806
O=C(c1noc2c1CCCCC2)Nc1ncnn1C	EMOLS-id_97693750	261.28	FEAPSCMQZWFIGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017807
O=C(CCc1nn[nH]n1)N1CCCc2occc2C1	ZINC22_633121529,EMOLS-id_319516925	261.28	PSUWQYYCGWQIIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017808
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1nncn1	EMOLS-id_319908836,MCULE-6001103324	261.283	IGNPYHZASGQOQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017809
CN(C(=O)c1cnc2n1CCCCC2)c1[nH]nnn1	EMOLS-id_319957474,MCULE-5252175071	261.283	NZIRTUMFVOFVIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017810
FC(F)(F)CCCn1cc2C(O)CCCCc2c1	EMOLS-id_315763357,PC-id_83208328	261.283	BJVORAWRZLTBFY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017811
NC(=O)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	PC-id_97463099,ZINC22_96188666	261.283	UUVHXMDTTFVUQT-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017812
NC(=O)N1Cc2nccn2C[C@H](Cn2cncn2)C1	PC-id_97463100,ZINC22_96188667	261.283	UUVHXMDTTFVUQT-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-017813
NC(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_44326507	261.283	UUVHXMDTTFVUQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017814
CC(c1n[nH]c2c1CN(CCC2)CC(F)(F)F)C	SCHEMBL19413393	261.287	IFTJCKKIXSFZIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017815
Fc1ccccc1OCc1nnc2CCCCCn12	PC-id_2349002,EMOLS-id_31846235,MCULE-7644636477,ZINC22_3230883	261.295	NQGXAHMNLQQLBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017816
Fc1ccc(Cn2nc3CCCCCn3c2=O)cc1	PC-id_75526869,EMOLS-id_48461807,MCULE-5009033786,ZINC22_98211214,SPECS-id_AT-687/NB01747	261.295	GHEDRRJOJGYYIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017817
Fc1cccc(OCc2nnc3CCCCCn23)c1	MCULE-9064871570,PC-id_2513553,ZINC22_3395045,EMOLS-id_31846231	261.295	DBWHWXRXOUKRIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017818
Fc1ccc(OCc2nnc3CCCCCn23)cc1	EMOLS-id_324814085,MCULE-3436973269,PC-id_33701874	261.295	YJFBREFMXJLUNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-017819
S(=O)(=O)(O)CCCn1cc2OCCCOc2c1	PC-id_11822129	261.295	RDFLNECOQMHKBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017820
Fc1cccnc1NCc1nnc2n1CCCCC2	PC-id_84591025,ZINC22_96482665,EMOLS-id_49116968,MCULE-3221202045	261.298	OFPNTGFNENIBOJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017821
S(=O)(=O)(NCC1n2c(noc2=O)CCCC1)C	PC-id_22901430	261.298	DWRYIKMDFJHGPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017822
S(=O)(=O)(NC)CC1n2c(noc2=O)CCCC1	PC-id_22901447	261.298	YEMUDVVGJLMYRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017823
N#CC(c1nsc2=CC=CC(C=c12)[N+](=O)[O-])(C)C	PC-id_141946210	261.3	IONQREZXVNTOJS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017824
CCC(=O)C1(CC1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_101307918	261.316	ORDBNHJWOXZRIE-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-017825
CCn1c(cc2=C(C=CC(C=c12)(C)C)OC)C(=O)O	PC-id_91473790	261.316	OZSCXVLKWYFBOR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017826
O=S(=O)(CCCF)N1CCCc2n[nH]cc2C1	MCULE-4338606579,EMOLS-id_316175967,ZINC22_1330606791	261.316	SDKBHYLJOBNAHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017827
CC1CSc2c(C(=O)C1)cc(o2)S(=O)(=O)N	SCHEMBL9864692,PC-id_15165688	261.318	NYHUVFVBQAIOJM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017828
FC1=CCC=Cc2c1n(cc2)Cc1c[nH]c(=S)[nH]1	PC-id_143208339	261.318	PLDPKKWEIJPJQF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017829
O(c1c2-c(c(c1)/C=N/c1ccccc1)ccccc2)C	PC-id_10515562	261.318	ZHRONOGUYNUDOD-CPNJWEJPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017830
O(c1ccc(/N=C/c2c3-c(cc2)ccccc3)cc1)C	PC-id_11173041	261.318	YIFUULCEVDGNKW-CPNJWEJPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017831
O(c1ccc(/N=C/c2cc3-c(c2)ccccc3)cc1)C	PC-id_12121409	261.318	SFCCWOSOYKELSV-CPNJWEJPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017832
ON=C(c1c2-c(cc1)ccccc2)c1ccc(cc1)C	PC-id_85756781	261.318	NJLSUTUKBLAKMM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017833
Cc1ccc(CN2Cc3ccnn3CCC2CO)o1	EMOLS-id_313821728	261.32	GMUIWFQMZXWRCQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017834
Cc1ccc(CN2Cc3ccnn3CC[C@@H]2CO)o1	ZINC22_585096997	261.32	GMUIWFQMZXWRCQ-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017835
Cc1ccc(CN2Cc3ccnn3CC[C@H]2CO)o1	ZINC22_585096998	261.32	GMUIWFQMZXWRCQ-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017836
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@]12COC[C@@H]1C2	EMOLS-id_319769340	261.32	MBINQLCIRGXFFM-PSADTEFUSA-N	00100010100000000101010000000010000000000000000000000000	31-01-017837
CCc1nnc(o1)C(N1CCCc2c(C1)cco2)C	EMOLS-id_99341938	261.32	KZTAHZCHZIOHML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017838
COc1nn(c2c1CCCN(C2)Cc1ccco1)C	PC-id_97404576	261.32	CHGMQUWVVKDVOA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017839
COc1nn(c2c1CCCN(C2)Cc1cocc1)C	PC-id_97515470	261.32	REGOHPQMKWHOPJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017840
COCC1CN(Cc2ccco2)Cc2nccn2C1	EMOLS-id_46148411	261.32	KEEZUMXVLSLHIX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017841
COCC1CN(Cc2ccoc2)Cc2nccn2C1	EMOLS-id_46148415	261.32	QWMBXLXSCJKWHZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017842
COCc1ncn2c1CN(CCC2)Cc1ccco1	PC-id_97405849	261.32	QRZQFBRZGQYKJL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017843
COC[C@@H]1CN(Cc2ccco2)Cc2nccn2C1	PC-id_97381715,ZINC22_96059062	261.32	KEEZUMXVLSLHIX-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017844
COC[C@H]1CN(Cc2ccco2)Cc2nccn2C1	ZINC22_96059061,PC-id_97381714	261.32	KEEZUMXVLSLHIX-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017845
COC[C@H]1CN(Cc2ccoc2)Cc2nccn2C1	PC-id_97381718,ZINC22_96059065	261.32	QWMBXLXSCJKWHZ-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017846
COC[C@@H]1CN(Cc2ccoc2)Cc2nccn2C1	PC-id_97381719,ZINC22_96059066	261.32	QWMBXLXSCJKWHZ-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017847
OC1c2c(CCCC1)cn(c2)Cc1nc(on1)CC	PC-id_83208338	261.32	IUMPPLBKEXSEHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017848
OC1c2c(CCCC1)cn(c2)Cc1oc(nn1)CC	PC-id_83207959	261.32	IVHNNDJEXWGWIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017849
OC1c2c(CCCC1)cn(c2)Cc1onc(n1)CC	PC-id_83208973	261.32	SUKKPLLQKWMFRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017850
OC1c2c(CCCC1)cn(c2)CC(=O)NCCC#N	PC-id_83207877	261.32	XWGCZAGNBHSADL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017851
O=Cc1cc2c([nH]1)CCCCN2C(=O)C1CCCN1	SCHEMBL6765868,PC-id_22562030	261.32	YOSJICHIMWMYFJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017852
O=Cc1cc2c([nH]1)CCCCN2C(=O)[C@@H]1CCCN1	SCHEMBL6322526,PC-id_20611469	261.32	YOSJICHIMWMYFJ-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017853
O=C(C1=CCCC1)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585097447	261.32	LTJHPANPHDVIBL-CYBMUJFWSA-N	00000011100000000101000000000010000000000000000000000000	31-01-017854
O=C(C1=CCCC1)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585097449	261.32	LTJHPANPHDVIBL-ZDUSSCGKSA-N	00000011100000000101000000000010000000000000000000000000	31-01-017855
O=C(Nc1nc2-c(c1)ccccc2)Cc1ccccc1	PC-id_10682906	262.306	JEKDCPOSWRJKST-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-018108
OCc1ccc(o1)CN1CCCc2c(C1)cnn2C	EMOLS-id_318874215	261.32	GNDCFRQTKKCHOO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-017856
OCC1CCn2nccc2CN1C(=O)C1=CCCC1	EMOLS-id_313818926	261.32	LTJHPANPHDVIBL-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-017857
CS(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625580	261.321	DXUQAWRYKIZLNF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017858
Nc1nc2-c(c1C=NCc1ccccc1)ccccc2	PC-id_102184117	261.321	XDUDSRZYGPBSMG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-017859
N(=Nc1ccncc1)c1c2-c(c(cccc2C)C)cc1	PC-id_11043533	261.321	GPCJODQWLHAXGX-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-017860
c12CN(CCCn1nc(C#N)c2)C(=O)C(C)N(C)C	PC-id_119067806,EMOLS-id_82724523,MCULE-6007342109	261.323	NDXIIUAACYASMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017861
c12CN(CCCn1nc(CO)c2)CCn1cccn1	MCULE-5984371012,PC-id_91770390,EMOLS-id_55632200	261.323	NTNVCEAZSIFNLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017862
C1CN(Cc2cc(nn2C1)CO)CCn1ccnc1	PC-id_91776536,MCULE-8221474220,EMOLS-id_55649693	261.323	FPEGURJWOBBYPX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017863
Cc1cc(CN2Cc3ccnn3CCC2CO)[nH]n1	EMOLS-id_313817135	261.323	KMVKVXIUBTWHAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017864
Cc1cc(CN2Cc3ccnn3CC[C@@H]2CO)n[nH]1	ZINC22_585097378	261.323	KMVKVXIUBTWHAI-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017865
Cc1cc(CN2Cc3ccnn3CC[C@H]2CO)n[nH]1	ZINC22_585097379	261.323	KMVKVXIUBTWHAI-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017866
Cc1c(nc[nH]1)COc1c2CNCCCc2nn1C	PC-id_136590249	261.323	JQGPOPFJNKVSOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017867
Cc1nn(Cc2nnc3CCOCCn23)c(C)c1C	ZINC22_2356147762,EMOLS-id_337777722,MCULE-8465336417	261.323	NPORGYFDNXVXBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017868
Cc1nocc1CNCc1nnc2n1CCCCC2	EMOLS-id_316845887,MCULE-4428558773,ZINC22_339174401	261.323	UEEHHWZTHZFDQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017869
CCc1nnc(o1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318889423	261.323	RHEYCYQBLLFLOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017870
CCc1noc(n1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319814627	261.323	IAIMPJOYNUQVQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017871
CCc1onc(n1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319569222	261.323	MUBSRZDANREHHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017872
C=C=CCNC(=O)NCc1nnc2n1CCCCC2	EMOLS-id_319751946	261.323	CXDDZUSLNRKLNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017873
C[C@@H](C(=O)N1CCCn2nc(C#N)cc2C1)N(C)C	ZINC22_426535168	261.323	NDXIIUAACYASMT-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-017874
C[C@H](C(=O)N1CCCn2nc(C#N)cc2C1)N(C)C	ZINC22_426535169	261.323	NDXIIUAACYASMT-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017875
CCn1cc(OCc2nnc3n2CCCCC3)cn1	EMOLS-id_316190237,ZINC22_278546705,MCULE-3850480939	261.323	ATRXJAUKYQNIPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017876
Cn1c(c2CNCCCc2n1)OCCn1cccn1	PC-id_136590248	261.323	PCBGZNVICZVKIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017877
CN(Cc1cc2CNCCCn2n1)Cc1ccno1	PC-id_56906885,MCULE-2273629285,EMOLS-id_43150300,ZINC22_72155903	261.323	IIEFNOGPACVYGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017878
COCC1CCn2cncc2CN1Cc1cn[nH]c1	EMOLS-id_313816614	261.323	VRIMBFOZNSDYDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017879
COC[C@H]1CCn2cncc2CN1Cc1cn[nH]c1	ZINC22_585098295	261.323	VRIMBFOZNSDYDE-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017880
COC[C@@H]1CCn2cncc2CN1Cc1cn[nH]c1	ZINC22_585098297	261.323	VRIMBFOZNSDYDE-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017881
N#CC1OCCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_111807706	261.323	CEDHCOVKZWFBMJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017882
N#CCCCCCCn1cnc2c1NC=NCC2O	CHEMBL36937,BindingDB_PC-id_10753895,PC-id_10753895	261.323	GYJDZFSPZKEWOT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017883
o1c(CNC(c2n3CCCCCc3nn2)C)cnc1	PC-id_65966351	261.323	IXZDVDRTLMGXEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017884
OC1c2n(CCCCCCC#N)cnc2NC=NC1	PC-id_10849005	261.323	ZLRBMOXTVGGYIW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017885
O=C(C1=C(C)CCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102182400	261.323	PUZGATMRGHCNOJ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-017886
OCCc1cnn(Cc2nnc3n2CCCCC3)c1	EMOLS-id_316188446,MCULE-2889045623,ZINC22_581049074	261.323	BRRRLWWQXOKTOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017887
O=C(N1CC=CC1)NCc1nnc2n1CCCCC2	EMOLS-id_320045794,MCULE-1188731779	261.323	YUVMLSFKOASUOZ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-017888
O=C(N1CCCn2nncc2C1)[C@]12CC[C@H]1CNC2	EMOLS-id_316776635,MCULE-4752817175,ZINC22_1342378818	261.323	HAYWBGVVAMLPLP-GWCFXTLKSA-N	00001010100000000101001000000010000000000000000000000000	31-01-017889
s1c2CCCCCc2cc1C(=Nc1[nH]ncn1)[O-]	PC-id_30865869	261.323	JBRHLNWAHDYDMG-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-017890
CC(N1CCCn2c(C1)nnc2Cn1cnnc1)C	PC-id_97405607	261.326	PSAKYNHRXXMKEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017891
O=C(c1csc2=CN=CC=CC=c12)OC(C)(C)C	PC-id_142200060	261.339	QVNYIMDEQBBSRA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017892
c12cnn(C)c1CCCN(C(=O)c1cccs1)C2	PC-id_73945502,MCULE-9580767438,ART-15417161,EMOLS-id_320380411,ZINC22_101279550	261.343	JFQXKPDZZTVMHU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-017893
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cscc1	EMOLS-id_318849793	261.343	DBBUQLBFVCVKCD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-017894
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc[nH]1	EMOLS-id_320223764,MCULE-6401343874	261.343	KYYIIPFLFFMHHZ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-017895
CC(c1nnc2n1CC[N@@H+](CC2)Cc1cocc1)C	GD-id_ZINC12080048	261.343	PFROAQVLHFDKIU-UHFFFAOYSA-O	00000000101000000101000000000010000000000000000000000000	31-01-017896
Cn1nncc1C(=O)c1cc2c(s1)CCCCC2	PC-id_115806776	261.343	VKINVSGIWKSVFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017897
O=C(c1cc2c(s1)CCCCC2)Nc1c[nH]nc1	PC-id_43429535,MCULE-6713518263,EMOLS-id_35702424	261.343	SMAFWLUMHSPAAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017898
O=C(c1cc2c(s1)CCCCC2)Nc1ncc[nH]1	PC-id_55027755,EMOLS-id_314227433	261.343	AGYCZMWRVGLMSX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017899
O=C(c1cc2c(s1)CCCCC2)Nc1n[nH]cc1	EMOLS-id_314096636,PC-id_61393890	261.343	ZVKIJJPUBPTRRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017900
s1c(C(=O)N2CCCc3[nH]cnc3CC2)ccc1	PC-id_20803061	261.343	SBUHOAUJYXBPHG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-017901
Cc1ccnc(n1)Sc1nnc2n1CCCCC2	EMOLS-id_111053557	261.346	DBXDYLXLCNZWLG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017902
Cc1nccc(n1)Sc1nnc2n1CCCCC2	EMOLS-id_111176392	261.346	NLXSVCFOFRJLQE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017903
Cc1ncnc(c1)Sc1nnc2n1CCCCC2	EMOLS-id_110847696	261.346	RNDYTAVGVGJRDM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-017904
Nc1ccc(cn1)Sc1nnc2n1CCCCC2	EMOLS-id_315216214,PC-id_28412371	261.346	XPXALUZPSMMATJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017905
Nc1cccc(n1)Sc1nnc2n1CCCCC2	PC-id_80652575,EMOLS-id_260418173	261.346	AJSSALJLDXJADH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017906
Nc1ccc(nc1)Sc1nnc2n1CCCCC2	EMOLS-id_314026977,PC-id_28401608	261.346	HCGGJEUFDVTSIF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017907
Nc1cccnc1Sc1nnc2n1CCCCC2	EMOLS-id_314884530,PC-id_28401609	261.346	KCUGMFCILIFMTJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017908
Nc1ccnc(c1)Sc1nnc2n1CCCCC2	PC-id_61710934,EMOLS-id_314158914	261.346	SLNNLNKUOYAEMT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017909
Nc1cnccc1Sc1nnc2n1CCCCC2	EMOLS-id_314104333,PC-id_28890504	261.346	BKAKVGYXKWPPMY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017910
Nc1nccc(c1)Sc1nnc2n1CCCCC2	EMOLS-id_316010484,PC-id_104037205	261.346	BMLAWCPPNZVZBY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-017911
CC1CCCC1(C)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_102801776	261.359	PVMCRQGVDIYKFL-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017912
CC1CCCC1CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_177165105,MCULE-7287612860	261.359	PGNKCVOZERANAW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017913
CC1CCCC(C1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_102723352	261.359	FVTVANGEZKMWIF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-017914
CC1CCCCC1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_102904390	261.359	QRLJETBOVQIJFA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-017915
C[C@@H]1CCC[C@@H]1CC(=O)N1CCCc2occc2C1	ZINC22_377408058	261.359	PGNKCVOZERANAW-CHWSQXEVSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017916
C[C@@H]1CCC[C@H]1CC(=O)N1CCCc2occc2C1	ZINC22_377408059	261.359	PGNKCVOZERANAW-OLZOCXBDSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017917
C[C@H]1CCC[C@@H]1CC(=O)N1CCCc2occc2C1	ZINC22_377408060	261.359	PGNKCVOZERANAW-QWHCGFSZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017918
C[C@H]1CCC[C@H]1CC(=O)N1CCCc2occc2C1	ZINC22_377408170	261.359	PGNKCVOZERANAW-STQMWFEESA-N	00000010100000000100000000000010000000000000000000000000	31-01-017919
o1c2c(c(C(=O)C3CCCCC3)c1N)CCCCC2	PC-id_83448081	261.359	RTJANNOPKLUZFZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-017920
O1C(CCCn2cc3CCCCC(=O)c3c2)CCC1	PC-id_83206267	261.359	GPGQOUBPNRSESK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017921
O=C1CCCCc2c1cn(c2)CC1CCC(O1)(C)C	PC-id_116522939	261.359	HFOUJWIHMLAEHA-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017922
O=C(C1=C(C)c2coc(c2CNC1)C(C)C)C(C)C	PC-id_101789541	261.359	AZEIDZPQDOVLSI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017923
O=C(C1CCCC1(C)C)N1CCCc2c(C1)cco2	EMOLS-id_102573384	261.359	NIBGQDPGSAYBCU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017924
O=C(C1(C)CCCCC1)N1CCCc2c(C1)cco2	EMOLS-id_102588957	261.359	UMHJVCQYXLOWSQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-017925
O=C(N1CCCc2c(C1)cco2)C1CCC(C1)(C)C	EMOLS-id_102536498	261.359	WVLYILTVHUAMIC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017926
O=C(N1CCCc2c(C1)cco2)C1CCCCCC1	EMOLS-id_102574947	261.359	XAYFIHGNNIKLBM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017927
S(=O)([O-])c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_29920580	261.359	PWNYTKWZEVOWAZ-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-017928
C=C(c1c[nH]c2=CC=CCC=c12)C(c1ccccc1)C	SCHEMBL21228436,PC-id_139374371	261.361	YYFZGXRMPRJGPW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-017929
C/C=CC=C(N=Cc1cc(c2-c1ccccc2)C)/C=C	PC-id_144236911	261.361	LAVAQUYCLCUCPU-ZOZHDAHXSA-N	00000010100000000110000000000010000000000000000000000000	31-01-017930
CC1CCC(C1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_102920515	261.363	NSRLFKWFDIAXEF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-017931
CC1CCCCN1C(=O)c1n[nH]c2CCCCCc12	EMOLS-id_334726573,MCULE-3398393519	261.363	PTCVUXZWYFFUGD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017932
CC1CCCN(C1)C(=O)c1n[nH]c2CCCCCc12	MCULE-3722943452,EMOLS-id_323255988	261.363	SBRWHYVSEFOYMX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017933
CC1CCN(CC1)C(=O)c1n[nH]c2CCCCCc12	EMOLS-id_323252661,MCULE-3009516372	261.363	WQJZHWROCJOMCX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017934
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCC1(C)C	EMOLS-id_319299620	261.363	UQCBRQCMACTZCK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-017935
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCCC1	EMOLS-id_318769361	261.363	ODSIZSXRQOUVPW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017936
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(C)CCCC1	EMOLS-id_320035437,MCULE-3469056989	261.363	RIWSGWXGRDPJPU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-017937
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1CCCC1	MCULE-9882189864,EMOLS-id_320235327	261.363	CYELEVXQXNWGRQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-017938
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(C1CC1)C	EMOLS-id_319941916,MCULE-9961561870	261.363	HQBOLSZWCMZQKC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-017939
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(C(=C)C)(C)C	EMOLS-id_319350070	261.363	ZMWXMYRYIQNTNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017940
Cc1c[nH]c2c1C(=O)N(CCC2)CCN1CCCC1	PC-id_86702108	261.363	QEVTVJYFXIKBSW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017941
CC(CC(=C)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_319684763	261.363	WESVOUQFOXXNJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017942
CCC(=C)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319708909	261.363	LRIGBKRJXAHFQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017943
CCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)(C=C)C	MCULE-9821977763,EMOLS-id_319943608	261.363	XVFIDQVUIWWZRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017944
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CN1Cc2cccn2C[C@H](CC(=O)NCC2CC2)C1	ZINC22_585099201	261.363	UIAICESIJKTZFS-CYBMUJFWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-017947
CN1Cc2cccn2C[C@@H](CC(=O)NCC2CC2)C1	ZINC22_585099202	261.363	UIAICESIJKTZFS-ZDUSSCGKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-017948
CN1CC(CC(=O)NCC2CC2)Cn2cccc2C1	EMOLS-id_313812771	261.363	UIAICESIJKTZFS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-017949
CN1CCN(CC1)C(=O)c1cc2c([nH]1)CCCCC2	SCHEMBL13562344,PC-id_70937803	261.363	MFJORAXYBJDCLB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017950
O=C(c1c2c(CCCCC2)[nH]n1)N1CCCCCC1	MCULE-7364296797,EMOLS-id_323253939	261.363	YDCQZSJHWHZZQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017951
O=C(c1c2c(CCCCC2)[nH]n1)NC1CCCCC1	PC-id_25161455,EMOLS-id_42605373,ChEMBL-DNDi_CHEMBL1394527,MCULE-5192486273,CHEMBL1394527	261.363	IOBGHWZIFFRNNV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017952
O=C(C1(C)CCCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_102859120	261.363	VTSGSJZXPZCVBH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-017953
O=C(N1CCc2c(CC1)nc[nH]2)CC1CCCCC1	PC-id_142022570	261.363	ZFVHBYLQVHPNNH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017954
O=C(N1CCCC1)Cn1cc2C(N)CCCCc2c1	PC-id_83208301	261.363	STGRKKQBCSNGTE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-017955
O=C(N1CCCC1)Cn1nc2c(CCCCCC2)c1	PC-id_20892477	261.363	LGIGAKQXODWVDR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-017956
O=C(N1CCCc2[nH]cnc2CC1)C1CCCCC1	PC-id_20803091	261.363	DUBAVAMRSIAXBM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017957
O=C(N1CCCCC1)Cn1cc2c(n1)CCCCC2	CoCoCo_2192247,CHEMBL1502812,ChEMBL-DNDi_CHEMBL1502812,PC-id_5308516	261.363	XNYPKIYCKGWICS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-017958
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O=C(NC1CC1)Cn1cc2C(NC)CCCCc2c1	PC-id_83208078	261.363	WKEXGRUBQLZINP-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-017961
O=C(NC1CCCC1)Cn1nc2c(CCCCC2)c1	PC-id_53015600	261.363	KFTJYTRKINRCRT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-017962
O=C(NCC1CC1)Cn1cc2C(N)CCCCc2c1	PC-id_83208510	261.363	WRJUNKIACDRIPR-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-017963
n1nc2n(n1)CCC(CC2)NCC1CC2CC1CC2	EMOLS-id_102000447	261.366	FQVVODHEKVGKLC-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-017964
C1CCc2c(CC1)cc(s2)CNCc1ccco1	PC-id_54884480,EMOLS-id_314065553	261.382	HKAHLBSOLVNIMI-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-017965
CC#CCCNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_315925399,PC-id_113357464	261.382	LTRZQPDZMDRUBQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017966
C#CCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_113245114	261.382	OEWXCFVDKSDSCK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017967
CCCC(C(=O)c1cc2c(s1)CCCCC2)C#N	EMOLS-id_315420775,PC-id_79404839	261.382	FJTXABVIPKOLEY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017968
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CCC(NC(=O)c1cc2c(s1)CCCCC2)C#C	PC-id_103579149	261.382	AJZSKSDZNYGMHK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017971
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CNC(c1cocc1)c1cc2c(s1)CCCCC2	PC-id_113667245	261.382	MHLSPGXYWHVVLZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-017973
CN(CCc1sc2=CCC=CC=c2c1C(=O)C)C	PC-id_143183643	261.382	INCXGLXFMSGNNU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-017974
NC(c1cc2c(s1)CCCCC2)Cc1ccco1	PC-id_113672713	261.382	WEPFDLCLABAQJW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-017975
NC(c1cc2c(s1)CCCCC2)Cc1cocc1	PC-id_113672802	261.382	QPBYGRWXHRAWQT-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-017976
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s1c2c(CCCCC2)cc1C(N)c1oc(cc1)C	PC-id_61714366	261.382	OESYGKMURVHMTN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-017978
s1c2c(CCCCC2)cc1C(NC)c1occc1	PC-id_61713073	261.382	SKWYWLQYHOVNDQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-017979
s1cc(CCn2cc3C(O)CCCCc3c2)cc1	PC-id_83207966	261.382	YVWSMXDHNDNYQJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-017980
s1c(CCn2cc3C(O)CCCCc3c2)ccc1	PC-id_83208058	261.382	MUGYLSXHPLRJDC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-017981
CCCCC1=CC(=[N+](Cc2n1ccc2)CCC)OC	PC-id_100964890	261.383	DJXRUHROZVVTRL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-017982
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c1cn(CCCN2CCCc3sccc3C2)cn1	EMOLS-id_53773075,PC-id_100674361,MCULE-5422683000,ZINC22_225548506	261.386	YXYXFRMPSYCFKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017984
CC1CN(Cc2csc(c2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319108723	261.386	YNMWCIKGAZXIRC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-017985
Cn1ccc(n1)C(c1cc2c(s1)CCCCC2)N	PC-id_103135253	261.386	DWVMSXHVSJHINI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017986
Cn1nccc1C(c1cc2c(s1)CCCCC2)N	PC-id_115858836	261.386	DKWLQQWBUFRYOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017987
CNC1CCCCc2c1cn(c2)Cc1scnc1	PC-id_112641731	261.386	PEPOENCBUSDLGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017988
s1c2c(CCCCC2)cc1C(N)c1cn(nc1)C	PC-id_43384476	261.386	STBSIONNFCIHEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017989
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s1c2c(CCCCC2)cc1C(N)Cc1[nH]ccn1	PC-id_43384506	261.386	GKYDFMJGPVOFIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017991
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s1cc(nc1C)Cn1cc2C(N)CCCCc2c1	PC-id_83209046	261.386	RTXDLDAKIVVYNL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017993
s1cc(nc1)Cn1cc2C(NC)CCCCc2c1	PC-id_83208807	261.386	HMRZGVBXHATZHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017994
s1c(nc(c1)C)Cn1cc2C(N)CCCCc2c1	PC-id_83207858	261.386	RRBSZZGOUKDSBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017995
s1c(ncc1)Cn1cc2C(NC)CCCCc2c1	PC-id_83208068	261.386	SBWYJIFMHSYBQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-017996
O1CCCC(CC1)CCc1ccc2n1CCCCC2	PC-id_143834123	261.402	WZLCQKUAMAOGPQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017997
O=C1c2c(CCCC1)cn(CCCCCCCC)c2	PC-id_83205874	261.402	BCMLOYUXAXLQQM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017998
O=C1c2c(CCCC1)cn(CC(CCCC)CC)c2	PC-id_83207488	261.402	IWEHWOFHONKZIL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-017999
CC(CCC(=C)C)NCc1n[nH]c2CCCCCc12	MCULE-3803408469,PC-id_50952872,EMOLS-id_32377130	261.406	UAEGGZMEFMDPMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018000
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CCCCN(CCCC)[C@H]1CC=c2c(=CC1)nc[nH]2	SCHEMBL20458713,PC-id_135292429	261.406	WSSHIEXHXIDBCS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-018003
CCCNC1CCCCc2c1cnn2C(C1CC1)C	PC-id_107384412	261.406	OUKSQPPDLZUILC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-018004
N1(CCCC1)CCCn1cc2C(N)CCCCc2c1	PC-id_83209128	261.406	VSHFTPOECLUWCA-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018005
N1(CCCC1)CCn1cc2C(NC)CCCCc2c1	PC-id_83208243	261.406	HIWULNYNYMIVFD-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018006
N1(CCCCC1)CCn1cc2C(N)CCCCc2c1	PC-id_83209032	261.406	QTBRMRWZYDVVGZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-018007
N(C1CC1)c1n[nH]c2c1CCCCCCCCCC2	PC-id_55222775	261.406	RZNRROLRRPHNBY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-018008
N(C1CCCCCC1)Cc1n[nH]c2c1CCCCC2	PC-id_55035700	261.406	HNGGAZZCBWGQBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018009
CC#CCC(c1cc2c(s1)CCCCC2)NCC	PC-id_113663646	261.426	YVVDAHONVXGFGJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018010
C#CCCC(c1cc2c(s1)CCCCC2)NCC	PC-id_113667754	261.426	MJZJBSJBMDTWDK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018011
C#CCCCC(c1cc2c(s1)CCCCC2)NC	PC-id_105034004	261.426	VRUNZQWEJBKGCD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018012
CC#CCCC(c1cc2c(s1)CCCCC2)NC	PC-id_113673562	261.426	NLDZANVLTVRBCX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018013
CCCNC(c1cc2c(s1)CCCCC2)CC#C	PC-id_114977283	261.426	TXIKSBZKVNUNPW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018014
CN(CCc1sc2=CCC=CC=c2c1C(C)C)C	PC-id_143183641	261.426	VRNCSVUFKVNOLN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018015
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s1c2c(CCCCC2)cc1C(NC)C1=CCCC1	PC-id_62078344	261.426	FLAMHBURNBKNQQ-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-018017
FC[C@H]1OCCc2n(C1)c(Cl)cc2C(=O)OC	PC-id_140703899	261.677	TXIHPTZYDIQWDY-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018018
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ClCC(CSc1nnc2n1CCCCC2)O	EMOLS-id_315759294,PC-id_112560979	261.772	SYFQUQRZGYFWHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018022
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CN1CCN(C(=O)C2=NN(C=C21)C)CC(F)(F)F	PC-id_153884442	262.104	ODPXYWIJUFJJJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018031
CN(C)CCN1C2=CC=C(C=CC2=NC1=O)[N+](=O)[O-]	PC-id_154241668	262.107	XFMRDCNOWMQAAI-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-018032
Brc1c2OCCNC(=O)c2sc1C	PC-id_85717768	262.124	DYMRPMQVUKYHOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018033
O=C1COCc2c(N1)sc(c2Br)C	SCHEMBL19260441	262.124	MEFBEANVNDSZQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018034
CC1CC(/C=C(/CC2=C(C(=CO2)C)C(=O)C1)C)OC	PC-id_154831640	262.157	JUFDIKOOORFASQ-IZZDOVSWSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018035
Brc1sc2c(CCNCC2)c1OC	PC-id_11715881,TT-id_D00YRD,SCHEMBL2994809	262.167	BOKXAMNVBPSCER-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018036
Brc1sc2c([C@H](OC)CNCC2)c1	PC-id_68474277,SCHEMBL3004706	262.167	DBCHBBXFVRFHMN-SSDOTTSWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018037
Brc1sc2c([C@@H](OC)CNCC2)c1	SCHEMBL3004703,PC-id_68474276	262.167	DBCHBBXFVRFHMN-ZETCQYMHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018038
Brc1sc2c(C(OC)CNCC2)c1	PC-id_59302553,SCHEMBL3004702	262.167	DBCHBBXFVRFHMN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018039
CC(C)(C)C1=CC2=C(CN(C1=O)C(C)(C)C)N=CO2	PC-id_161650951	262.168	RGLKVAGZXZIKPS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-018041
CC(C)(C)C1=CC2=C(CN(C1=O)C(C)(C)C)OC=N2	PC-id_161650950	262.168	KGXIYFCISSSOJY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-018042
CC(C)(C)C1=CC2=C(CN(C1=O)C(C)(C)C)ON=C2	PC-id_161706047	262.168	YZVHKDJRIKJTDO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-018043
CC(C)(C)C1C=CC2=C(N(C1=O)C(C)(C)C)OC=N2	PC-id_161650949	262.168	UHSXEKYBVZUIOL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-018044
CCCCCN1CCCC2=C(C1=O)C(=C(N2)C=O)C	PC-id_160222671	262.168	DHXSYPKEUAAVIN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018045
CC1(CC2=C(CN(C1)CCOCCC#N)C=NN2)C	MCULE-8689593075,PC-id_154786850,EMOLS-id_317765576	262.179	CVWYEZACSGYAAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018046
Brc1sc2CCCNC(=S)c2c1	PC-id_85717799	262.19	GLEIUTHSZQQKML-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018047
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)O)n1	PC-id_648619,MCULE-5242025672,EMOLS-id_845437,CHEMBL1413287,BindingDB_PC-id_648619,SCHEMBL15708803,BAS-14355644,ZINC22_4294572,CoCoCo_422395,BindingDB-id_75933	262.228	DFMVUFNGENZIPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018048
c1(C(F)(F)F)nn(c2OCCCC(=O)c12)C(C)C	EMOLS-id_320452625,MCULE-3885698598	262.228	LUGHXQHFDBYWPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018049
FC(F)(F)c1n[nH]c2c1C(CCCC2)CC(=O)O	PC-id_71185301,SCHEMBL14484985	262.228	BHEQBEJTLXCXSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018050
OC(=O)c1c2CCCCCCn2nc1C(F)(F)F	EMOLS-id_337772325	262.228	ZSKFLIARHOPVKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018051
OC(=O)c1c(CC(F)(F)F)nn2CCCCCc12	EMOLS-id_337770278	262.228	SUVYGDRRSCOHEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018052
S1(=O)(=O)C(F)(F)CCCn2nc(nc12)CC#N	PC-id_84807065	262.237	VVHUDPSEKKVVOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018053
o1c2-c(c(c1=O)C(=O)OCC)ccccc2OCC	PC-id_10038330	262.258	KDLXBIPJEDTCIX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018054
Cc1occc1C(=O)N1CCc2n[nH]c(=O)n2CC1	EMOLS-id_50590117,PC-id_91910710,MCULE-6347703267	262.265	BBCQXIPEBOOXPY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-018055
Cn1nc2CCN(CCn2c1=O)C(=O)c1ccco1	MCULE-6571485506,EMOLS-id_239628345	262.265	MVOQTMHZVYQELM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-018056
CNC1C(=O)N(CCc2c1occ2)Cc1nocn1	PC-id_23554472,SCHEMBL14172428	262.265	MTLQZLAILWUAFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018057
CNC1C(=O)N(CCc2c1occ2)Cc1ocnn1	PC-id_23554480,SCHEMBL14172462	262.265	JBIQBBGKMSFVCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018058
CNC1C(=O)N(CCc2c1ocn2)Cc1ccno1	PC-id_23554912,SCHEMBL14172395	262.265	VDEQSIIGKSITPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018059
CNC1C(=O)N(CCc2c1ocn2)Cc1ncco1	SCHEMBL14172376,PC-id_23554555	262.265	VBMFHKFFKJMPNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018060
CNC1C(=O)N(CCc2c1ocn2)Cc1ncoc1	PC-id_23554563,SCHEMBL14172358	262.265	NICWOLYPQMVQSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018061
CNC1C(=O)N(CCc2c1ocn2)Cc1ocnc1	PC-id_23554567,SCHEMBL14172371	262.265	MVHUMCNIFRBOOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018062
O=C(c1ccoc1)NC1CCn2c(CC1)n[nH]c2=O	PC-id_110197897,MCULE-4159675692,EMOLS-id_96925992	262.265	SXNJTXOGERVXKK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-018063
O=C(c1noc2c1CCCCC2)NCc1cnon1	EMOLS-id_318942117	262.265	XVFTVRYURWIBDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018064
O=C(N1CCCc2c(C1)c[nH]n2)COc1nocc1	EMOLS-id_319385226	262.265	DTORADBMIZMWIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018065
C1CCCn2c(Cn3ncc(N(=O)=O)c3)nnc2C1	MCULE-9627675355,TIMTEC35341,EMOLS-id_32216860,ZINC22_72334099,PC-id_71668836	262.268	AFYYRLQUTPSZJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018066
Cc1cc(n[nH]1)C(=O)N1CCc2n[nH]c(=O)n2CC1	PC-id_91922364	262.268	UORDYZAXEGGRKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018067
Cn1nnc(n1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_320017243,MCULE-3759816194	262.268	BURMMWPNCLDBOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018068
COc1[nH]nc(c1)C(=O)N1CCCn2c(C1)cnn2	MCULE-6330947813,EMOLS-id_320050827	262.268	UUZXGSSDBBKBGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018069
n12CCN(CCc1nn(C)c2=O)C(=O)c1cc[nH]n1	PC-id_110197878,MCULE-7909691489	262.268	YBVGKHWPUIJTKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018070
O=C(c1cc[nH]n1)N1CCCn2nnc(CO)c2C1	ZINC22_96084331,PC-id_97405158,EMOLS-id_46181669	262.268	ZVUQKKHSZOPIBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018071
FC(F)(F)OCCn1cc2C(N)CCCCc2c1	PC-id_83208443,EMOLS-id_315761053	262.271	FVDIYIHNCISNNT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018072
NC1CCCCc2c1cn(c2)COCC(F)(F)F	PC-id_113867377	262.271	TXYRDKZKACVMAC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018073
O=C(NCc1nc[nH]n1)[C@@H]1CCc2nnnn2CC1	ZINC22_1542356614	262.271	RKYBXCARGSDBRG-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018074
O=C(NCc1nc[nH]n1)[C@H]1CCc2nnnn2CC1	ZINC22_1542356615	262.271	RKYBXCARGSDBRG-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018075
COC(=O)C1CCC(F)(F)c2nc(N)sc2C1	EMOLS-id_330976525	262.276	VMLLZFHVEUBUFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018076
C1CN(CCn2c1n[nH]c2=O)Cc1ccccc1F	PC-id_91922370	262.283	VQULPURXFTVXAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-018077
Fc1cccnc1OCC1CCn2cncc2CN1	EMOLS-id_313818149	262.283	ZLANUOPAZPAQBW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-018078
Fc1cccnc1OCC1CCn2nccc2CN1	EMOLS-id_313743286	262.283	IRKNKZSAGGAICW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-018079
Fc1cccnc1OCC1CNCc2cncn2C1	EMOLS-id_49236275	262.283	DJNFIHVQPVUDCW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-018080
Fc1cccnc1OC[C@@H]1CCn2cncc2CN1	ZINC22_585098578	262.283	ZLANUOPAZPAQBW-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-018081
Fc1cccnc1OC[C@H]1CCn2cncc2CN1	ZINC22_585098580	262.283	ZLANUOPAZPAQBW-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-018082
Fc1cccnc1OC[C@@H]1CCn2nccc2CN1	ZINC22_585097200	262.283	IRKNKZSAGGAICW-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-018083
Fc1cccnc1OC[C@H]1CCn2nccc2CN1	ZINC22_585097201	262.283	IRKNKZSAGGAICW-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-018084
Fc1cccnc1OC[C@@H]1CNCc2cncn2C1	PC-id_97484743,ZINC22_96217691	262.283	DJNFIHVQPVUDCW-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-018085
Fc1cccnc1OC[C@H]1CNCc2cncn2C1	PC-id_97484744,ZINC22_96217692	262.283	DJNFIHVQPVUDCW-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-018086
S(=O)(=O)(OCC1n2c(noc2=O)CCCC1)C	PC-id_22901409	262.283	DPHJHUDBFBMUCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018087
s1c2c(NC(=O)[C@@H](NC2=O)Cc2[nH]cnc2)cc1	PC-id_16122264	262.288	UCSZFNIQFRNBRC-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018088
O=C(c1ccc2-c1ccccc2)OCc1ccccc1	PC-id_141193706	262.303	PVTVMIBAGHWIJK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-018089
Cc1c(c2c([nH]1)C(=CCNCCC2=C)O)C(=O)OC	PC-id_89198014	262.304	YHKZHMDQJXHHNT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018090
CC1C(=CN(C)CCn2c1ccc2C=O)C(=O)OC	PC-id_142757278	262.304	CIXFPHWNQCUVOX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-018091
CC/C(=C
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CCC(C1=CCNC(=O)c2c1cc[nH]2)C(=O)OCC	PC-id_70955846,SCHEMBL13636668	262.304	JLQCUKBIHDKDEQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018093
Cn1cc(c2c1C(=O)C(=CN(C)C)CCC2)C(=O)O	SCHEMBL12466077,PC-id_88919447	262.304	YJPVKONRDFJDBW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018094
CNC1C(O)N(CCc2c1occ2)Cc1ccoc1	PC-id_141979165	262.304	IFLPVHQOXIWZIM-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-018095
CN(/C=C/1CCCc2c(C1=O)n(C)cc2C(=O)O)C	SCHEMBL12466074	262.304	YJPVKONRDFJDBW-VQHVLOKHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018096
COC(=O)c1c(C)[nH]c2c1C(=C)CCNC/C=C/O	SCHEMBL13897312	262.304	YHKZHMDQJXHHNT-BJMVGYQFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018097
COC(=O)c1c[nH]c2c1C(=O)/C(=C/N(C)C)/CCC2	PC-id_142114880	262.304	TZPBRYISIBGEPI-CMDGGOBGSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018098
O=C1CCC[C@@H](N1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99400242	262.304	CPNGQYAQFQIOCQ-LLVKDONJSA-N	00000000100010000100000000000010000000000000000000000000	31-01-018099
O=C1CCC(CN1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99370654	262.304	FCJROUMJIZSWDS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-018100
O=C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100950531	262.304	CADFKEJILPDLRC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018101
O=C1NCCC(C1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_102573465	262.304	HADKXWTVOZTPKC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-018102
O=C(C1CCC(=O)N1C)N1CCCc2c(C1)cco2	EMOLS-id_102732155,MCULE-1476661315	262.304	SWYBMKLWNGDPIJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018103
O=C(N1CCCc2c(C1)cco2)C1CC(=O)N(C1)C	EMOLS-id_102552524	262.304	VEROPLZGYPVNKU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018104
O=C(N1CCCc2c(C1)cco2)C1CN(C1)C(=O)C	EMOLS-id_102491445	262.304	WLQQLDYTDRHERQ-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-018105
O(C(=O)C(=C1CCNC(=O)c2[nH]ccc12)CC)CC	PC-id_77969152	262.304	QBBNAOPTSQWTDS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018106
O(c1ccc(/N=N/c2c3-c(cc2)ccccc3)cc1)C	PC-id_11086567	262.306	WNSVDYIZGGJEIE-VHEBQXMUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-018107
c12CN(CCCn1nc(CO)c2)Cc1cc(no1)C	EMOLS-id_55669895,PC-id_91783479,MCULE-2138003467	262.308	RLDUBYSHWAIQMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018109
C1(C)(CC(=NO1)C)C(=O)N1CCCn2cncc2C1	EMOLS-id_43112999,MCULE-6245322998,PC-id_56895666	262.308	KUPDRDPGIQVTEJ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-018110
Cc1cc(CN2Cc3ccnn3CCC2CO)no1	EMOLS-id_313743029	262.308	LNGNQXTZFQJKFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018111
Cc1cc(CN2Cc3ccnn3CC[C@@H]2CO)no1	ZINC22_585097422	262.308	LNGNQXTZFQJKFE-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018112
Cc1cc(CN2Cc3ccnn3CC[C@H]2CO)no1	ZINC22_585097423	262.308	LNGNQXTZFQJKFE-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018113
Cc1ccc(o1)CN1CCn2c(CC1)nn(c2=O)C	PC-id_110197883,MCULE-3528461111,EMOLS-id_96925740	262.308	HTUWHYSXAOGBOF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-018114
CC1CC(=O)N(C1=O)Cc1nnc2n1CCCCC2	EMOLS-id_100808297	262.308	REDGBYWTNWBHSL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018115
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCNC1=O	EMOLS-id_318922717	262.308	XNXYQMNYCQYZIU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018116
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CNC(=O)C1	EMOLS-id_319474441	262.308	JQTDXPOWDJMQLS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018117
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@H]1CCC(=O)N1	EMOLS-id_319227135	262.308	MUVIEQGIGHCHFV-LHIURRSHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018118
Cc1nnn2c1COC[C@@H](CNCc1ccco1)C2	PC-id_97383742,ZINC22_96061110	262.308	RPSPYSKZTUQFGZ-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-018119
Cc1nnn2c1COC[C@H](CNCc1ccco1)C2	PC-id_97383743,ZINC22_96061111	262.308	RPSPYSKZTUQFGZ-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-018120
Cc1nnn2c1COC[C@@H](CNCc1ccoc1)C2	PC-id_97469378,ZINC22_96199305	262.308	YGLGQFHHAYSJTE-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-018121
Cc1nnn2c1COC[C@H](CNCc1ccoc1)C2	ZINC22_96199306,PC-id_97469379	262.308	YGLGQFHHAYSJTE-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-018122
Cc1nnn2CC(CNCc3ccco3)COCc12	EMOLS-id_46150905	262.308	RPSPYSKZTUQFGZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-018123
Cc1nnn2CC(CNCc3ccoc3)COCc12	EMOLS-id_44332533	262.308	YGLGQFHHAYSJTE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-018124
CC1=NO[C@@](C)(C(=O)N2CCCn3cncc3C2)C1	PC-id_95720195,ZINC22_72153593	262.308	KUPDRDPGIQVTEJ-CYBMUJFWSA-N	00000011100000000101000000000010000000000000000000000000	31-01-018125
CC1=NO[C@](C)(C(=O)N2CCCn3cncc3C2)C1	ZINC22_72153594,PC-id_95720196	262.308	KUPDRDPGIQVTEJ-ZDUSSCGKSA-N	00000011100000000101000000000010000000000000000000000000	31-01-018126
CC(C(=O)N/C/1=CCCCc2c(C(=O)N1)nc[nH]2)C	PC-id_142470352	262.308	ZJRBCLDDEWGWGR-UXBLZVDNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-018127
CC(C(=O)NC1=CCC(C)c2c(C(=O)N1)nc[nH]2)C	SCHEMBL18519484	262.308	ZFWYZLQQWRQADF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-018128
C=CC(=O)NCCC(=O)N1CCCc2n[nH]cc2C1	MCULE-5569620204,ZINC22_1327628830	262.308	HURDAHVWUVAGFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018129
CO[C@@H]1C[C@H](C)CC(=O)c2c(C/C(=C
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CC(=O)Nc1nn2c(c1)C(=O)C(=CN(C)C)CCC2	SCHEMBL15477976,PC-id_58563713	262.308	OTPJWSDTYKPJCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018130
Cn1c2c(CCCC(=CN(C)C)C2=O)c(n1)C(=O)N	SCHEMBL12499456,PC-id_88925154	262.308	BQONBNFGGNMQGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018131
CN(/C=C/1CCCc2c(C1=O)n(C)nc2C(=O)N)C	SCHEMBL12499454	262.308	BQONBNFGGNMQGP-BQYQJAHWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018132
CN(C)c1noc(CN2CCCc3occc3C2)n1	EMOLS-id_177197307,MCULE-4454927746,ZINC22_367993044	262.308	HZPCFIKHCIFXGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018133
COC1=NCCCn2c1cc(n2)C(=O)N1CCCC1	PC-id_57973815,SCHEMBL3123917	262.308	BAAGSLNIVGUUII-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-018134
COCc1ccc(CN2CCc3nncn3CC2)o1	PC-id_56854216,EMOLS-id_232728658,MCULE-7780429058,ZINC22_11910792	262.308	OLCNPIKHFKXJER-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-018135
COCCC(=O)N1CCCc2c(C#N)nn(C)c2C1	PC-id_97515468,EMOLS-id_44366556,ZINC22_96254416	262.308	SWQMBDLQUJQCHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018136
NC(=O)C1CN(C1)C(=O)c1cnc2n1CCCCC2	EMOLS-id_319627105	262.308	NYAWEPKCNGARFQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-018137
NC(=O)C1CN(C1)C(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319380868	262.308	UPGOQHXFUBGKGG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-018138
O=C1NCCCC1C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318315916	262.308	MZISNTZAPQSNFF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018139
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n1c2-c(c(c1N)C=NNc1ccccc1)ccccc2	PC-id_85634820	262.309	MFMOQPZXQQFGPO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-018141
Nc1nc2-c(c1C=Nc1ccccc1N)ccccc2	PC-id_101455495	262.309	TVROVTRUZKTELC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-018142
Nc1nc2-c(c1/C=NNc1ccccc1)ccccc2	PC-id_101616821	262.309	MFMOQPZXQQFGPO-WQRHYEAKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-018143
Cc1cc(CN2CCc3n[nH]c(=O)n3CC2)n(C)n1	EMOLS-id_50590123,PC-id_91922534	262.311	WSZMVQQZKYJLRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018144
CC1CN(Cc2c(C1)[nH]nc2)Cc1nn(c(=O)[nH]1)C	EMOLS-id_318944259	262.311	ZVTKTXPINNAQDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018145
C(c1nnc2CCCCCn12)n1cc(N)c(OC)n1	MCULE-4234204344,ZINC22_35655646,PC-id_45602134,EMOLS-id_27336066,CoCoCo_6788352	262.311	RFALDUPZPJLZSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018146
Cc1nn(C)cc1CN1CCc2n[nH]c(=O)n2CC1	PC-id_91910712,EMOLS-id_50586003,MCULE-8286890334	262.311	FIINRNJZFGPXKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018147
CC(c1noc(n1)CN1CCCn2c(C1)cnn2)C	EMOLS-id_320229685,MCULE-8147838455	262.311	MMDVRJQUAGBQSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018148
Cn1cc(CN2CCc3nnc(CO)n3CC2)cn1	ZINC22_96084559,PC-id_97405385,EMOLS-id_46182123	262.311	BSPFYLCEBJAKHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018149
Cn1ccnc1CN1CCCn2nnc(CO)c2C1	ZINC22_96084330,EMOLS-id_46181667,PC-id_97405157	262.311	MGUFJXLZDBXKGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018150
CO[C@H]1C[C@H](C)CC(=O)c2c(CC(=C1)C)occ2C	UNPD215753	262.344	JUFDIKOOORFASQ-GWCFXTLKSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018196
n1c(CNc2nnc(CN)o2)c2c(CCCCC2)[nH]1	MCULE-9800177112,EMOLS-id_317465731,ZINC22_1772702719,PC-id_137342890	262.311	AGRVGWSLDFKPBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018151
OCc1nnc2n1CCN(CC2)Cc1nccn1C	PC-id_97410147	262.311	WDWQQWQAXROVCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018152
s1cc2OCC(OCc3ccccc3)COc2c1	PC-id_85678249	262.324	VVYPXOJQSYQEHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-018153
c1(cc2c(CCCCC2)s1)C(=O)Nc1ccon1	PC-id_17217754,ZINC22_13745852,EMOLS-id_14094816,TIMTEC345301,CoCoCo_1072323,MCULE-3492025404	262.327	NWVLFXMNIIGBFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018154
c1(C(=O)c2cccs2)n(O)c2c(CCCCC2)n1	PC-id_882470,MCULE-7291770695,EMOLS-id_177539924,ZINC22_453531	262.327	WWUOWMMGMKCOKP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-018155
c1(C(=O)c2cscn2)c2CCCCCc2oc1N	PC-id_83448082,MCULE-7905042046	262.327	WHPWISWINUNDIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018156
Cc1nc2c(s1)N(CCCC2)C(=O)c1cocc1	EMOLS-id_319607619	262.327	OMHYNKIHAMNTSB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-018157
C(C#C)NC(=O)NC1CCCC(=O)c2c1ccs2	SCHEMBL11542258,PC-id_21319856	262.327	KTERLNLDNGBNLR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018158
O=C1N(CCc2c(C1C)occ2)Cc1cscn1	PC-id_141979093	262.327	AQRIODWDZMUYFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018159
O=C(c1occc1)Nc1sc2c(CCCCC2)n1	CoCoCo_4546024,PC-id_17456996,ZINC22_14164057,EMOLS-id_13495481,MCULE-3394906067	262.327	DYOJMQPKURSYAZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-018160
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N(=Nc1cc[n+](cc1)C)c1c2-c(c(c1)C)ccccc2	PC-id_10971144	262.329	PODIPYWWNMSLCN-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-018162
c1(cc2c(CCCCC2)s1)C(=O)Nn1cnnc1	CHEBI:116977,MCULE-4582639572,TIMTEC113163,CHEMBL1578877,PC-id_1245136,ChEMBL-DNDi_CHEMBL1578877,EMOLS-id_2041316,ZINC22_1053485,CoCoCo_540657	262.331	CXWWUJNVIVTUIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018163
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nccs1	EMOLS-id_318996043	262.331	HDWDJGLAHFFRGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018164
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nscc1	EMOLS-id_319116819	262.331	LQKGMYYESLEUHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018165
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1scnc1	EMOLS-id_319446881	262.331	RASJAHJFEOVUEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018166
Cc1nc2c(s1)N(CCCC2)C(=O)c1c[nH]nc1	EMOLS-id_320007780,MCULE-5258161646	262.331	QWCPTOZRGUXXHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018167
Cc1nc2c(s1)N(CCCC2)C(=O)c1n[nH]cc1	EMOLS-id_319357737	262.331	ZBXLNZZIXBLNFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018168
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O=C(c1cnc2n1CCCCC2)Nc1ccns1	EMOLS-id_278221230	262.331	VPXANXPCNYWHER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018174
O=C(c1nscc1)N1CCCc2c(C1)cnn2C	EMOLS-id_101678402	262.331	XYBUNHIOQJUHIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018175
O=C(Nc1nc[nH]n1)c1cc2c(s1)CCCCC2	ZINC22_23142381,CoCoCo_4792247,CoCoCo_4792246,MCULE-6050211008,EMOLS-id_30014772,PC-id_30865870,CoCoCo_4792248	262.331	JBRHLNWAHDYDMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018176
Nc1ccc(nn1)Sc1nnc2n1CCCCC2	PC-id_116456913,EMOLS-id_315018027	262.334	KSBZXLCCOSHBLK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-018177
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Nc1cnc(nc1)Sc1nnc2n1CCCCC2	EMOLS-id_314052300,PC-id_61146618	262.334	NQGSSKNKWMJYBS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-018180
Nc1nccc(n1)Sc1nnc2n1CCCCC2	PC-id_80882453,EMOLS-id_315582751	262.334	PUQWTDOKYGAMOI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-018181
Nc1nccnc1Sc1nnc2n1CCCCC2	PC-id_102988730	262.334	CDXKITRTMUEVLT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-018182
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Nc1ncnc(c1)Sc1nnc2n1CCCCC2	PC-id_80882562,EMOLS-id_314934701	262.334	GOTPRPXVDOTQBD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-018184
CC1CC(=O)c2c(C)coc2CC(=CC(OC)C1)C	MCULE-9972567255,CNP0292393,PC-id_90832169	262.344	JUFDIKOOORFASQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018185
CCCCc1oc2c(c1)C[C@H](CCC2)OC#CCO	PC-id_101525617	262.344	OQDMHPLZNNEGCB-AWEZNQCLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018186
CCCCc1oc2c(c1)C[C@@H](CCC2)OC#CCO	PC-id_101525618	262.344	OQDMHPLZNNEGCB-CQSZACIVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018187
C[C@@H]1C[C@@H](OC)C=C(C)Cc2occ(C)c2C(=O)C1	MCULE-9562893642,PC-id_44576244,ZINC22_299807022	262.344	JUFDIKOOORFASQ-ZWNOBZJWSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018188
COC1C[C@H](C)CC(=O)c2c(C/C(=C/1)/C)occ2C	PC-id_102418734	262.344	JUFDIKOOORFASQ-GSVLHGSQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018189
CO[C@H]1/C=C(C)/Cc2occ(C)c2C(=O)C[C@H](C)C1	EMOLS-id_323973674,NP_65140,NP_65138,NP_65141,NP_65139,PC-id_11747425,CHEMBL492208	262.344	JUFDIKOOORFASQ-WCXSNEHCSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018190
CO[C@H]1C[C@@H](C)CC(=O)c2c(C/C(=C/1)/C)occ2C	NP_34514,UNPD26029	262.344	JUFDIKOOORFASQ-JGLCCLGMSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018191
CO[C@@H]1C[C@@H](C)CC(=O)c2c(C/C(=C
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CO[C@H]1C[C@H](C)CC(=O)c2c(C/C(=C
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CO[C@H]1C[C@H](C)CC(=O)c2c(C/C(=C/1)/C)occ2C	UNPD17030,PC-id_122234753	262.344	JUFDIKOOORFASQ-ROLIVCDNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018194
O=C/C=C(/C=C/C=C/c1c2-c(cc1)ccccc2C)C	PC-id_58048877,SCHEMBL10001481	262.346	YQMWBKSTDMWQNK-XDAQCPPBSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018197
O=CC=C(C=CC=Cc1c2-c(cc1)ccccc2C)C	PC-id_76672876	262.346	YQMWBKSTDMWQNK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018198
O=C/C=C(/C=C/C=C(c1cc2-c(c1)ccccc2)/C)C	PC-id_101033448	262.346	CPQJZQUXADETKL-ITAGZONCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018199
c12C(C(C)C)CN(CCc1cn(C)c2C=O)C(=O)C	EMOLS-id_324739779,MCULE-2495472785	262.347	XZLPOANZBZDSSR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018200
c1(C(=O)N2CCCCCC2)c2CCCCCc2on1	CoCoCo_2401408,EMOLS-id_16234819,PC-id_20923861,MCULE-4330256383	262.347	CACCUKBZSUSAMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018201
CC1CCCC1NC(=O)c1noc2c1CCCCC2	EMOLS-id_110225812	262.347	VZUHNZMBRGZXEI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018202
CC1CCCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_102659834	262.347	FVHFEXJQUORCSZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018203
CC1CCC(N1C(=O)c1noc2c1CCCCC2)C	EMOLS-id_102542638	262.347	AGHOXYHLNNWHCH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018204
CC1CCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102769435	262.347	WPIDTBXBNANCTB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018205
CC1CCN(C1C)C(=O)c1noc2c1CCCCC2	EMOLS-id_102593438	262.347	CYXIWEUWXWOOOO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018206
CC1CCN(C1)CC(=O)N1CCCc2c(C1)cco2	MCULE-3821845531,EMOLS-id_316884429	262.347	QISUNVZNKBIOMB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018207
CC1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102630679	262.347	JBDVKBHDKLYCMK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018208
CC1CN(CC1C)C(=O)c1noc2c1CCCCC2	EMOLS-id_102457034	262.347	PBUOFPRANKLEIO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018209
CCC1(CCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111931300	262.347	FXCHVDBNDNKOHI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-018210
C=CCC(C(=O)N1CCCc2c(C1)cco2)N(C)C	EMOLS-id_320322826,MCULE-8101630534	262.347	QPEYBDNQMGAECZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018211
CC[C@@H]1C[C@H]1CNC(=O)c1noc2c1CCCCC2	EMOLS-id_101302194	262.347	JKMNMLAVLRASIS-MNOVXSKESA-N	00100000100000000101000000000010000000000000000000000000	31-01-018212
C[C@@H]1CCN(CC(=O)N2CCCc3occc3C2)C1	ZINC22_576648753	262.347	QISUNVZNKBIOMB-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018213
C[C@H]1CCN(CC(=O)N2CCCc3occc3C2)C1	ZINC22_576648754	262.347	QISUNVZNKBIOMB-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018214
CCOC1CN(Cc2cccn2C1)C(=O)C1CC1C	EMOLS-id_55751939	262.347	VWYXLGKYVIYQSJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-018215
CCOC1CN(Cc2cccn2C1)C(=O)C1CCC1	EMOLS-id_55751651	262.347	FMHLUVLEYQIBHA-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-018216
CCO[C@@H]1CN(C(=O)C2CCC2)Cc2cccn2C1	ZINC22_575404882	262.347	FMHLUVLEYQIBHA-AWEZNQCLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-018217
CCO[C@H]1CN(C(=O)C2CCC2)Cc2cccn2C1	ZINC22_575404883	262.347	FMHLUVLEYQIBHA-CQSZACIVSA-N	00001000100000000101000000000010000000000000000000000000	31-01-018218
CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C)Cc2cccn2C1	ZINC22_575406852	262.347	VWYXLGKYVIYQSJ-FPMFFAJLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-018219
CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)Cc2cccn2C1	ZINC22_575406853	262.347	VWYXLGKYVIYQSJ-KWCYVHTRSA-N	00100000100000000101000000000010000000000000000000000000	31-01-018220
CCO[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)Cc2cccn2C1	ZINC22_575406854	262.347	VWYXLGKYVIYQSJ-UBHSHLNASA-N	00100000100000000101000000000010000000000000000000000000	31-01-018221
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O1C(CCn2cc3C(NC)CCCCc3c2)CCC1	PC-id_83208894	262.39	PCXMSKJSZBRYJG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018355
O1C(Cn2cc3C(NCC)CCCCc3c2)CCC1	PC-id_83208270	262.39	COBIIOLJAZNMHX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018356
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OC1c2c(CCCC1)cn(CCN1CCCCC1)c2	PC-id_83208466	262.39	CTFJPWGDSQWGGE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-018359
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n1(cc2C(NCC)CCCCc2c1)CCCCCC	PC-id_83208481	262.434	XJZMQQDHRLVLNL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018423
n1(cc2C(NCCC)CCCCc2c1)CCCCC	PC-id_83212252	262.434	NYLYOLUDPHQICA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018424
n1(cc2C(NCCC)CCCCc2c1)CCC(C)C	PC-id_83213502	262.434	CXVSWAAMOINWFS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018426
n1(CC(CC)CC)cc2C(NCC)CCCCc2c1	PC-id_83207994	262.434	YQINXVLJSYAGBO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018427
n1(CCC(C)(C)C)cc2C(NCC)CCCCc2c1	PC-id_83208273	262.434	NHXGSEZYGKIPBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018428
n1(CC(CCC)C)cc2C(NCC)CCCCc2c1	PC-id_83213497	262.434	PXHRHZRVAPVXHB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018429
n1(CC(CCCC)CC)cc2C(N)CCCCc2c1	PC-id_83208886	262.434	PZZFAXRLODKLBK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018430
c1cc2sc1CSCCSCCSC2	MCULE-8340841884,NSC650649,ZINC22_389720,CoCoCo_5714913,PC-id_373749,SCHEMBL676834,SPECS-id_AT-225/NB99264,TIMTEC166287	262.478	GFFSEQUFOHFBGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018431
Cc1sc(c2c1SCCSCCS2)C	SCHEMBL18932344	262.478	DHYHBLITXDDYNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018432
COC(=O)c1c2CCOC(Cn2c(n1)Cl)CF	SCHEMBL15969534,PC-id_90355203	262.665	VXCFHXVDRRSYIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018433
FCC1OCCc2n([C@H]1C)c(Cl)nc2C(=O)O	PC-id_141409076	262.665	ACUJKXIUUGGTKR-DSEUIKHZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018434
FC[C@H]1OCCc2n(C1)c(Cl)nc2C(=O)OC	SCHEMBL15969535	262.665	VXCFHXVDRRSYIF-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018435
Clc1c2-c(c(ccc(C(C)C(=O)OC)c2)C)cc1	PC-id_25068473	262.731	JKJUMODUKABIJP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018436
Clc1ccc2-c(ccc2C(=O)OC(C)(C)C)cc1	PC-id_11471028	262.731	HUDGCNYTZBCFHQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018437
Clc1ccnc(c1)CN1CCCc2c(C1)cco2	EMOLS-id_318972054	262.735	KHUGHTGJMJVGEU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-018438
c12cncn1CCCN(Cc1ccc(nc1)Cl)C2	MCULE-5908649541,EMOLS-id_43168290,PC-id_56912959,ZINC22_72167326	262.738	XAWQYOMTUOWFED-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-018439
Clc1ccccc1CN1CCc2nncn2CC1	PC-id_31015878,CoCoCo_1364665,MCULE-5546873469,EMOLS-id_20564267,CoCoCo_1364664,ZINC22_23337660	262.738	JWRHXVNMNBEBMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-018440
Clc1cccc(c1)Nc1nnc2n1CCCCC2	GD-id_ZINC09857837	262.738	VJUPJJCVFCWITO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-018441
Clc1nc2CN(Cc3ccccc3)CCCn2n1	EMOLS-id_316040972	262.738	PNDVNLZHQJHHPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-018442
BBNC1Cn2cc(nn2)CC(NCC1=O)C(=O)O	SCHEMBL13254588	262.869	GDGFATMULOKMMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018443
C1CN(CCC2=C1C=NN2)I	PC-id_154470853	262.992	YXKBLLVPMHSERA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018444
C1COCNc2c(c(nn12)Br)[N+](=O)[O-]	PC-id_136017418,SCHEMBL1077112	263.049	RGHDWUGOKPUXMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018445
Ic1n[nH]c2c1CNCCC2	SCHEMBL16123840,PC-id_117611730	263.079	GRRPPQFOVVZSOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018446
C=C1CCC(Cn2c1cc(n2)Br)(F)F	SCHEMBL20517839,PC-id_135343466	263.082	XCNHBEYRZZFEEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018447
O=C1c2c(n(cc2C(=O)OCC)B(O)C)CCCC1	PC-id_20762200	263.097	REYJPNWNDLOCLS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018448
Brc1sc(c2OCCCOc12)C=O	PC-id_82379994	263.108	PBDWRGRNSTVIOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018449
CC1=NC(=NO1)C(C)N2CCCC3=C(C2)C=CS3	EMOLS-id_317299411,PC-id_154758544,MCULE-3659371670	263.109	VZUFGVLDRDTDPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018450
Brc1cc2n(n1)CS(=O)(=O)CC=C2	PC-id_135343093,SCHEMBL20517432	263.112	NSHMUQQQAZNNIY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-018451
CCN1C2=C(C(=N1)C)N=C(CNC2=O)CCC(=O)[O-]	PC-id_154328937	263.115	KQLCBTNTHNLNLT-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-018452
CCOC(=O)C1=CC2=C(N1C)C(=O)C(=CO)CCC2	PC-id_154499332	263.116	FGTZWZOELFIUMV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018453
BrCC(=O)c1c2-c(c(c1)C)ccccc2	PC-id_11832242	263.13	LMLOBQNUEHVNJY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018454
N#Cc1cn(c2=CC=C(CC=c12)Br)CC	PC-id_143184436	263.133	KZYPEJKAMNIXIG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018455
COCC1=NOC(=N1)CN2CCCC3=C(C2)C=NN3	EMOLS-id_317272311,PC-id_154763832,MCULE-6648870342	263.138	QOSOIRINYYVORX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018456
CC1(CC(C2=C(CNC1)SC(=C2C#N)N)(C)C)C	PC-id_155180994	263.146	QIXUNPJNSRGMMD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018457
CC1(CBr)COc2cscc2OC1	MCULE-2903081535,EMOLS-id_313109203	263.151	JAUXNDYCQQIFQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018458
CCCCC1=C2C(=C(N1)C(=O)OC)CCCCC2=O	PC-id_153617034	263.152	MEKHFFZBPCDIMM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018459
Brc1c2-c(c(c1)C)cccc(C(C)C)c2	PC-id_14293212	263.173	BCONKKJYUOLBBZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018460
OC(C1CCCCCCc2n(cc1c2)B(O)C)(C)C	PC-id_22081365	263.183	WYKIPOADKHBSKX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018461
c1(C(F)(F)F)c2CCC(CCn2nn1)C(=O)OC	EMOLS-id_106531381,PC-id_137703989,MCULE-1827503157	263.216	AHIGPSYYNKGLHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018462
FC(F)(F)CNC(=O)C1CCCCn2nnnc12	PC-id_74230819	263.22	MAANYQMTQYBOSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018463
CC(C)(C)C1CCCCCC2=C1N(N=N2)C(C)(C)C	PC-id_153320425	263.236	DVMJEUWJFJHSSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018464
CC(C)(C)C1CCCCCC2=C1N=NN2C(C)(C)C	PC-id_153320434	263.236	QXAAIZWGYHQZDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018465
CNC1C(=O)N(CCc2c1ocn2)Cc1ncon1	PC-id_23554471,SCHEMBL14172363	263.253	NWCINWFDFKSVTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018466
CNC1C(=O)N(CCc2c1ocn2)Cc1ocnn1	SCHEMBL14172400,PC-id_23554479	263.253	CVGMQUFTYBIVDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018467
FC(F)(F)OCCn1cc2C(O)CCCCc2c1	PC-id_83208335,EMOLS-id_314725074	263.256	GFQLTXZEYLGCOM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018468
OC1CCCCc2c1cn(c2)COCC(F)(F)F	PC-id_106705439	263.256	AUZBHZNWESUWNO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018469
c1(C(F)(F)F)nn(c2OCCCC(N)c12)C(C)C	EMOLS-id_320453393,MCULE-9396588761	263.259	DIXOQSSUPINERM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018470
OC(=O)C(Sc1nnc2n1CCCCC2)(F)F	PC-id_81217144,EMOLS-id_315613537	263.264	QXNXOKPVYLIHLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018471
OC(=O)Cn1c(=S)c(c2-c1ccccc2)C(=O)O	PC-id_12852670,SCHEMBL11280487	263.269	YWIYBXCYSFWUTG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018472
NN/N=C(/C1(C)C=CC=c2c(=C1)ccn2CP)N	PC-id_142938442	263.279	VMVZEMHMSZGBFW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018473
[se]1c(c2SCCCSc2c1C)C	PC-id_59566402	263.282	PTUCDESWJVTMHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018474
[se]1cc2SCC(CSc2c1)(C)C	PC-id_59566421	263.282	KSQBYEUSTPRFTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018475
C=CCOC(=O)C1CCCCn2c1c(cc2)C(=O)O	PC-id_70540745,SCHEMBL11217569	263.289	PHYFWSJVXXHCGX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018476
CCOC(=O)c1cc2c(n1C)C(=O)/C(=C/O)/CCC2	PC-id_122705236,SCHEMBL18250059	263.289	FGTZWZOELFIUMV-CSKARUKUSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018477
O=C1C(CCCc2[nH]cc(c12)C(=O)OCC)C(=O)C	PC-id_20605648	263.289	RRLQXBQVXHVDSW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018478
o1nc(c2c1c(=O)cccc2)C=Cc1cc(ccc1)C	PC-id_76383844	263.291	KJEIJTXMQDTOPX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-018479
Oc1c(c2-c(c1)ccccc2)C(=O)Nc1ccccc1	PC-id_85573861	263.291	LTDPVXBLVNENON-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-018480
c1(C(=O)O)cc2n(CCCN(C(=O)CC=CC)C2)n1	PC-id_72082636,MCULE-4170870525	263.292	GPMIXHXEQMDHNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018481
C/C=C/CC(=O)N1CCCn2nc(cc2C1)C(=O)O	PC-id_50949755,EMOLS-id_44851355,ZINC22_65371721	263.292	GPMIXHXEQMDHNZ-NSCUHMNNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018482
Cn1c2c(CCCC(=CN(C)C)C2=O)c(n1)C(=O)O	PC-id_88925152,SCHEMBL12499450	263.292	KPXRGBVTIQCZJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018483
Cn1c(c2CCCC(=CN(C)C)C(=O)c2n1)C(=O)O	SCHEMBL12498348,PC-id_88925024	263.292	XPEYKHTWBLKTIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018484
CN1CN(CC1=O)C(=O)c1noc2c1CCCCC2	EMOLS-id_101039227	263.292	HDXCWBGHWOCEIX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018485
CN(/C=C/1CCCc2c(C1=O)n(C)nc2C(=O)O)C	SCHEMBL12499446	263.292	KPXRGBVTIQCZJL-BQYQJAHWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018486
CN(/C=C/1CCCc2c(C1=O)nn(c2C(=O)O)C)C	SCHEMBL12498347	263.292	XPEYKHTWBLKTIO-BQYQJAHWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018487
COCc1noc(CN2CCCc3occc3C2)n1	ZINC22_367321618,MCULE-3257673950,EMOLS-id_177278086	263.292	IKNHHKWHXNNTPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018488
COC(=O)C1(Cn2cc3c(n2)CCCNC3=O)CC1	EMOLS-id_177340645,ZINC22_585122853,MCULE-5473195100	263.292	CAWHXNNFRXGGOF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-018489
NC(=O)C1CN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_319308413	263.292	OCLRGLUIHUGCDW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-018490
O=C1NCC(C1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101034106	263.292	NHXPJPSRLKURLJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018491
O=C1NCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102540259	263.292	HGBWTIAXBDTNGM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018492
CN(C(=O)c1ccc2-c1ccccc2)c1cccnn1	SCHEMBL7174135,PC-id_70012396	263.294	VMCMLDLGZSGKNC-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-018493
O=C(c1nnc2-c1ccccc2)NCc1ccccc1	PC-id_68961570,SCHEMBL4220324	263.294	MSWQZROXUWWTBC-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-018494
O=C(Nc1nc2-c(c1)ccccc2)Nc1ccccc1	PC-id_10635275	263.294	NFBYTNJEFRPXHY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-018495
C[C@H]1NC(=O)N(C1=O)Cc1nnc2n1CCCCC2	EMOLS-id_110865209	263.296	ALJOBCJNYNQLGB-MRVPVSSYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018496
CN1C(=O)C(CCCn2c1cnc2)NC(=O)C(=N)C	PC-id_145225429	263.296	ZYVSOGVHUZSQAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018497
O=C1c2n(CCCCCC(=O)N)cnc2NC=NC1	PC-id_10682968	263.296	DKXCMYMWQKLQDC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-018498
O=C1c2ncn(CCCCCC(=O)N)c2NC=NC1	PC-id_10611581	263.296	OJSWXUNAMSWIKB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-018499
C#CCOC(=O)CN1CCCc2sccc2C1=O	MCULE-5332090781,EMOLS-id_42964760,PC-id_72043466,ZINC22_75134383	263.312	UVCNDABFBJBNQC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018500
FCCn1cc(CN2CCCc3n[nH]cc3C2)cn1	ZINC22_931083813,EMOLS-id_316973969,MCULE-2915625265	263.314	HYNYQOBOKSHJGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018501
c1(C(=O)Nc2sccn2)c2CCCCCc2on1	EMOLS-id_35791122,ZINC22_61722060,PC-id_52903027,STOCK7S-16824,MCULE-5448259637	263.316	XKLYDEOOWAIWSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018502
Cc1nc2c(s1)N(CCCC2)C(=O)c1cocn1	EMOLS-id_319397724	263.316	HPUIOROYUORVBC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018503
Cc1nc2c(s1)N(CCCC2)C(=O)c1nocc1	MCULE-1298412312,EMOLS-id_320253443	263.316	XOIFEVMUVRMJNL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018504
O=Cc1ccc(o1)Sc1nnc2n1CCCCC2	EMOLS-id_314264379,PC-id_63803881	263.316	AAXVQWQQWLAIMA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-018505
O=C(c1noc2c1CCCCC2)Nc1ccns1	EMOLS-id_257983886,MCULE-1565841737	263.316	ZUCNOSUQBCPPEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018506
O=C(c1noc2c1CCCCC2)Nc1ccsn1	EMOLS-id_318768622	263.316	WRLRRFIHRKQRJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018507
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnns1	EMOLS-id_319505214	263.319	DUSXWAGGABRFMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018508
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1csnn1	EMOLS-id_318797406	263.319	NPNWOTHUQLPBJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018509
Cn1nnc(n1)C(=O)N1CCCc2c(C1)ccs2	MCULE-6506616450,EMOLS-id_320050155	263.319	IIMWEBPKKCMFJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018510
O=C1NCCCc2c1cn(n2)Cc1snnc1C	EMOLS-id_258061388,MCULE-1995377647	263.319	IBTYQSKOJOJRQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018511
O=C(c1c2c(CCCCC2)[nH]n1)Nc1scnn1	EMOLS-id_323250870,MCULE-3061714044	263.319	UOWXHXHCHIPZDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018512
O=C(c1cccs1)NC1CCn2c(CC1)nnn2	EMOLS-id_102170024	263.319	JZCMMWZDQKBQQY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-018513
O=C(c1ccsc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102168211	263.319	KOTCWZLRJLZTDA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-018514
O=C(c1c[nH]nn1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110483519	263.319	JQAIXNLNPFFICT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018515
O=C(c1n[nH]cn1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110973189	263.319	SSNZNSNNUHPUJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018516
FC(C(c1cc2c(s1)CCNCC2)(C)C)(F)F	SCHEMBL1181444,PC-id_24783106	263.322	IYMPPKWUUVYFPJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018517
FC(CNCc1cc2c(s1)CCCCC2)(F)F	PC-id_54893045,EMOLS-id_38008118	263.322	AZZPZBCELLNCQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018518
FC(CNCc1csc2c1CCCCC2)(F)F	PC-id_114749142	263.322	YUCJDQQTKBRXCV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018519
CC1OCCC(C1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_102574818	263.332	VCMNVFWQNCICDP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-018520
CC1OCCCC1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_102723496	263.332	RJKKCUGMXKCDCX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-018521
CCOC(=O)c1c[nH]c2c1C(=O)CC(CC2)C(C)C	PC-id_20762218,SCHEMBL6507421	263.332	DTTJBOPQGRXSSU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018522
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CC1CC(CC1NC1CCn2c(CC1)nnn2)(C)C	EMOLS-id_102000579	263.382	UISNJXZAWZKVLU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018721
CC1CCC(C(C1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102000438	263.382	JNIXQBPHWBMARD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018722
CC1CCCCC1CNC1CCn2c(CC1)nnn2	EMOLS-id_102000441	263.382	VVFWPXDVQVHXME-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018723
CC1CC(CCC1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102000504	263.382	BTLGTLJORJGADR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018724
CC1CCC(C(C1)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102002586	263.382	HRAZALJWPXRGDT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018725
CC1C(C)CCCC1NC1CCn2c(CC1)nnn2	EMOLS-id_102000435	263.382	IETXZDBAJXZMPQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018726
CC1CC(NC2CCn3c(CC2)nnn3)CC(C1)C	EMOLS-id_102028181	263.382	JWRYLTCGQOIGCU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018727
CCC1CCC(CC1)NC1CCc2n(CC1)nnn2	EMOLS-id_102028148	263.382	AFLACRMKGOHUEG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018728
CC(C1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102000546	263.382	WIFFMBHINZCFEL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018729
CCC1CCCC(C1)NC1CCn2c(CC1)nnn2	EMOLS-id_102028214	263.382	QCPMHVGJJVGYRZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018730
CC(c1nnc2n1CCCCC2)NCC1CCCN1	PC-id_106637731	263.382	JTVIPLXZJHGNIZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018731
CCC(C1CC1(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102179024	263.382	SKYQNYIYEWIVPP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-018732
CCC(C1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102002601	263.382	FNWOVCONJYZHOK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018733
CCCC(C1CCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102178985	263.382	GSVWYOKXAIXORZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-018734
CC(C)N1CCCn2nnc(CN3CCCC3)c2C1	PC-id_97405513,EMOLS-id_46182403,ZINC22_96084690	263.382	TWPQZTIXRQXRHE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018735
CN1CCN(CC1)Cc1cc2n(n1)CCCN(C2)C	SCHEMBL16129787,PC-id_117616597	263.382	XRGHIXNVCWVKGC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018736
CN1CCN(CC1)CCc1nnc2n1CCCCC2	CK1232958,PC-id_2316790	263.382	WRMJDAMWYYDRPB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018737
CN1CCN(CC2CN(C)Cc3nccn3C2)CC1	EMOLS-id_46160647	263.382	QABOUCZZNUNQAQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018738
CN1CCN(C[C@H]2CN(C)Cc3nccn3C2)CC1	PC-id_97389352,ZINC22_96067026	263.382	QABOUCZZNUNQAQ-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018739
CN1CCN(C[C@@H]2CN(C)Cc3nccn3C2)CC1	ZINC22_96067027,PC-id_97389353	263.382	QABOUCZZNUNQAQ-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018740
CN(C)C1CCN(Cc2cc3CNCCCn3n2)C1	PC-id_56895724,MCULE-7126285687,EMOLS-id_43113231	263.382	ZBKPZGCHKLLZLW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018741
CN(C)[C@H]1CCN(Cc2cc3n(n2)CCCNC3)C1	PC-id_95720236,ZINC22_72153658	263.382	ZBKPZGCHKLLZLW-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018742
CN(C)[C@@H]1CCN(Cc2cc3n(n2)CCCNC3)C1	ZINC22_72153657,PC-id_95720235	263.382	ZBKPZGCHKLLZLW-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018743
N1(CC(NC(c2n3CCCCCc3nn2)C)CC1)C	PC-id_62976721	263.382	LTCLMCBEXSLAMC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018744
N(C1CCCNC1)C(c1n2CCCCCc2nn1)C	PC-id_61637760	263.382	BFGYZZPTYGAPDA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018745
N(C1CCNCC1)C(c1n2CCCCCc2nn1)C	PC-id_54906894	263.382	JDCMZGUABSTZSJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018746
N(C1CC(N)CC1)C(c1n2CCCCCc2nn1)C	PC-id_79462641	263.382	HAFPEUDGRMYYIY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-018747
c1(cc2c(CCCCC2)s1)C(=O)N1CCCCC1	TIMTEC248261,PC-id_25236022,ZINC22_16604308,EMOLS-id_16623410,CoCoCo_1072855,MCULE-9890400077	263.398	JSTLSGZVBQZTTR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-018748
c1(csc2CCCCCc12)C(=O)NC1CCCC1	PC-id_20881833,MCULE-8013853466,EMOLS-id_16062755	263.398	PCHKJTQGLMYBGB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018749
CC12OCC(C1)(C2)CN1CCCc2c(C1)ccs2	EMOLS-id_318804112	263.398	DMFJXYMSJZBDBN-UHFFFAOYSA-N	00001010100000000100001000000010000000000000000000000000	31-01-018750
CC(CC(=C)C(=O)N1CCCc2c(C1)ccs2)C	EMOLS-id_319025870	263.398	UMWTVFODZKRZQJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018751
C/C=C/CCNC(=O)c1cc2c(s1)CCCCC2	PC-id_86811996	263.398	WXHSITQGMIENPD-NSCUHMNNSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018752
CC(=C)CNC(=O)c1sc2c(c1)CCCCCC2	PC-id_113608835	263.398	RFBSPHMNDZPISD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018753
C=CCCNC(=O)c1sc2c(c1)CCCCCC2	PC-id_116037119	263.398	YTLZYOGZZODTSO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018754
CNC(c1cc2c(s1)CCCCC2)C1=CCCO1	PC-id_113720885	263.398	VDEWZBKLZSTTCL-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-018755
NC(c1cc2c(s1)CCCCC2)C1=CCCCO1	PC-id_113720581	263.398	FCZIDONRENRQKY-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-018756
NC(c1cc2c(s1)CCCCC2)C1=COCCC1	PC-id_113673138	263.398	JGIZFBKHJZLLGH-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-018757
O=C(NC1CCCC1)c1cc2c(s1)CCCCC2	CoCoCo_3647440,ZINC22_8076116,EMOLS-id_43418981,PC-id_9208950,MCULE-1491638665	263.398	NXXBWRURMBKMHW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018758
s1c2c(CCCCCC2)cc1C(=O)N1CCCC1	PC-id_60629332	263.398	NIPMYNVKLHPDTF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018759
s1c2c(CCCCCC2)cc1C(=O)NCC1CC1	PC-id_46543397	263.398	PLNIXHRDKMPSFH-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-018760
OC1c2c(CCCC1)cn(CC(CCCC)CC)c2	PC-id_83207881	263.418	JAFUSZGUKOHRGI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018761
OC1c2c(CCCC1)cn(CCCCCCCC)c2	PC-id_83208056	263.418	WXFHDDBGPSLZHD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018762
NC(c1cscc1)c1cc2c(s1)CCCCC2	PC-id_104988549	263.421	YMQSDZGMWAOSEO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-018763
s1c2c(CCCCC2)cc1C(N)c1sccc1	PC-id_43464008	263.421	NMDPOSDOKRNVLB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-018764
S(c1c2-c(c(SC)c1)ccc(N(C)C)cc2)C	PC-id_57337304	263.421	ITBRVHRIVIWTSX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018765
CC1(CCCc2c(C1)nnn2C(C)(C)C)C(C)(C)C	PC-id_134572181,SCHEMBL20222842	263.422	XMRWVPVLBZLOFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018766
S(=O)(=O)(O)c1c(c2-c(c1)c(ccc(c2)CC)C)C	PC-id_10125333	264.34	XPULRRZCRMEPHE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018974
CC1CC(C)(C(C)C)c2n(CC1C)nc(n2)C(C)C	SCHEMBL138812,PC-id_58109982	263.422	NOAJUIRXXHXFAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018767
CC1CC(C)(C(C)C)n2c(CC1C)nc(n2)C(C)C	SCHEMBL138811,PC-id_58109992	263.422	DDTSAPKGMWIICS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018768
CC(C1CCCc2c(CC1)n(nn2)C(C)(C)C)(C)C	PC-id_139404894,SCHEMBL21261834	263.422	IZRXUPVALNIZIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018769
CC(C1CCCc2c(CC1)nnn2C(C)(C)C)(C)C	SCHEMBL18807021	263.422	PBXORJQZUIMSSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018770
CC(C1CCCCc2c(C1)nnn2C(C)(C)C)(C)C	SCHEMBL17480773,PC-id_118696753	263.422	LBQGBSXGBIASMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018771
CC(C1(C)CC(C)(C)CCn2c1nc(n2)C(C)C)C	SCHEMBL137797,PC-id_58109988	263.422	PLIYFKHLGDDPPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018772
CC(CC1CCCCc2c(C1)n(nn2)C(C)(C)C)C	SCHEMBL20228074,PC-id_134576723	263.422	LPFGPQNMJFLFIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018773
CCC(Cc1ncc2n1CCC(N(C2)C)(C)C)(C)C	SCHEMBL21241172,PC-id_139386092	263.422	MEKHXFHNHNZOLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018774
CCCC(CN1CCCn2c(C1)cnc2C)CCC	PC-id_144865862	263.422	VNPYATNLGAEQJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018775
CCCNC1CCCCc2c1cnn2C(CC)CC	PC-id_107384410	263.422	AVWVNYHHHJKRJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018776
CCCNC1CCCCc2c1cnn2CCC(C)C	PC-id_107384414	263.422	MVDFLGANLZFNHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018777
CC(n1nnc2c1CC(CCCC2)CC(C)(C)C)C	SCHEMBL19604362	263.422	WTVYLIPTDSAJCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018778
CCNC1CCCCc2c1cn(c2)CCCN(C)C	PC-id_114526231	263.422	KXJFAXMDSZPPFF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018779
n1(cc2C(NC)CCCCc2c1)CCN(CC)CC	PC-id_83208657	263.422	SWQHERWSEYNSNI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018780
n1(cc2C(NCCC)CCCCc2c1)CCN(C)C	PC-id_83212755	263.422	CKTIIYTYHQXRIB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018781
N1(CCCCn2c1nc(c2)C)CCCCCCCC	PC-id_54173781	263.422	OWVMRVSEOMWCLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018782
[nH]1c2CCCCCCCCCCc2nc1CNCC	PC-id_63927399	263.422	QVBMZFPLEVKAFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018783
[nH]1nc(NC(C)C)c2CCCCCCCCCCc12	PC-id_55222774	263.422	WZXFPPVBYUQARN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018784
[nH]1nc(NCCC)c2CCCCCCCCCCc12	PC-id_63529761	263.422	WOGLSWIXXORCPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018785
O=c1[nH]c(c2-c1ccccc2)SC[Si](C)(C)C	PC-id_101455521	263.431	DQKRSESPQLIAAP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018786
C1CCC(CC1)NCc1cc2c(s1)CCCCC2	EMOLS-id_314186728,PC-id_55197043	263.441	VNMOEAJFKIYQCK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-018787
C=CCCC(c1cc2c(s1)CCCCC2)NCC	PC-id_113668648	263.441	NQLJCQYFYSXVCH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018788
C=CCCCC(c1cc2c(s1)CCCCC2)NC	PC-id_104987010	263.441	WEQZGIFELJNDSH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018789
CCC(=C)CC(c1cc2c(s1)CCCCC2)NC	PC-id_105006062	263.441	DJDJRWSMCPXQHU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018790
CCCNC(c1cc2c(s1)CCCCC2)C1CC1	PC-id_104994146	263.441	JBXIGAQTQSAKMX-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-018791
CCCNC(c1cc2c(s1)CCCCC2)C(=C)C	PC-id_113670258	263.441	DGKPOLQYTMNQKF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018792
CCCNC(c1cc2c(s1)CCCCC2)CC=C	PC-id_115814198	263.441	FLYHBFQMLJAIMC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018793
CCNC(c1cc2c(s1)CCCCC2)C1CCC1	PC-id_113674583	263.441	GJYXMVMIDOJQGJ-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-018794
CCNC(c1cc2c(s1)CCCCC2)CC1CC1	PC-id_113668521	263.441	WOXKBMIHCXVMGN-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-018795
CCNC(c1cc2c(s1)CCCCC2)CC(=C)C	PC-id_105003771	263.441	JNVUPHQKAQVHSX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018796
CCNC(c1cc2c(s1)CCCCC2)C=C(C)C	PC-id_113670186	263.441	BNNLDIDETUVWEX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018797
CNC(c1cc2c(s1)CCCCC2)C1CCCC1	PC-id_113658665	263.441	YQZMELIQUKECRY-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018798
CNC(c1cc2c(s1)CCCCC2)CC1CCC1	PC-id_113668351	263.441	KEOVHFHQFXCVEX-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-018799
CNC(c1cc2c(s1)CCCCC2)CCC1CC1	PC-id_104995097	263.441	XZPJKLRUSUSUPB-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-018800
CNC(c1cc2c(s1)CCCCC2)CCC(=C)C	PC-id_105039610	263.441	PHECWFPUHOUGTB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018801
NC(c1cc2c(s1)CCCCC2)C1CCCCC1	PC-id_113658492	263.441	RASFGWRAIIRLGE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-018802
NC(c1cc2c(s1)CCCCC2)CC1CCCC1	PC-id_113666494	263.441	FQKAGODYZGHHOB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-018803
Clc1c(Br)cn2CCCNC(=O)c12	EMOLS-id_330937287	263.519	JNUIFMKVPNWNPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018804
CCOC(=O)c1c(Cl)nc2-c1ccccc2C=O	PC-id_102076175	263.676	ZOCQSPPJAPFALR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018805
Clc1c(C#Cc2ccccc2)nc2-c1ccccc2	PC-id_102074477	263.721	CUWYJBAHAHPKIY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-018806
Clc1nc2-c(c1C#Cc1ccccc1)ccccc2	PC-id_102074475	263.721	ILBOVXAPNSKSFA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-018807
Clc1nc2-c(c1)ccccc2C#Cc1ccccc1	PC-id_12013288	263.721	FWLDRJVPUZREPK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-018808
ClS(=O)(=O)Cc1noc2CCCCCCc12	EMOLS-id_259608110,MCULE-8906780257	263.741	IEJUSFLDYLTNEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018809
Clc1nc2c([nH]1)C(CCCC2)CN1CC=CC=C1	SCHEMBL9443372,PC-id_19738159	263.766	UYIVMRKIQZYHGH-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-018810
CC1=NN=C2N1C[I-]CCC2	PC-id_146784752	264	XCUWWIBTKRKLCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018811
IC1CCCc2n(nnn2)C1	PC-id_11334547	264.067	VVFYSDVZRRZPAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018812
COC(c1c2CCOC(Cn2c(n1)Cl)CF)O	PC-id_163872761	264.068	PMGVZCYTOOEQNL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018813
CN(CC1=NN=C2N1CCOCC2)S(=O)(=O)F	PC-id_154880365,MCULE-7471026408	264.069	ZGIATGVWVSTWDK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018814
CCC1=C2C(=C(SC2=NC=CCC1)C(=O)OC)N	PC-id_163840316	264.093	OLKKUUZEPGQHGN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018815
CN(C)CCCN1C(=CC2=C1C(=O)C=CC=C2)Cl	PC-id_154374667	264.103	VQROZJWADBAJGE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-018816
CC(=O)Nc1cc2-c(c1)ccc(cc2)Br	PC-id_101588840	264.118	RKMSXWPQOQCNOT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-018817
Cc1c2C(C=C(C(CCn2nc1)O)S)C=C(C)C	PC-id_163972073	264.13	SQVXLMZVMRVBOA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-018818
Brc1[nH]c2CCS(=O)(=O)CCc2c1	PC-id_84807360	264.14	SFUYOJNYQMUCNI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018819
CC1/C(=C(SCN2C(=NN=C2CN=C1C)C)/C)/C	PC-id_155002270	264.141	MUKGEHMNBJOGAF-FRVKFHADSA-N	00000000100000000111000000000010000000000000000000000000	31-01-018820
FC1(F)Oc2cscc2OC(C1(F)F)(F)F	PC-id_17973842,SCHEMBL5729927	264.145	GFRXVXFRVFTQPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-018821
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C[C@H]1COCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_102800150	264.32	WNFYUVIHSVCDQW-JTQLQIEISA-N	00000000100010000101000000000010000000000000000000000000	31-01-018871
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C[C@@H]1OCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102538324	264.32	OUUNLIWEYVEMHM-JTQLQIEISA-N	00000000100010000101000000000010000000000000000000000000	31-01-018874
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CCn1c(COC2COC2)nc2c1CCCCC2=O	PC-id_121458034,SCHEMBL17895866	264.32	UFVGWJAYPMWQQD-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-018876
CCOC(=O)c1c2CCC(C)NC(=O)c2c(C)n1C	EMOLS-id_336564499	264.32	JOLIIIXIPWHSHV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018877
CCOC(=O)c1c(C)n(C)c2c1CCC(C)NC2=O	EMOLS-id_336564243	264.32	MZJQHUKTTUFTOD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-018878
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CN1CCOCC1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_102732062	264.32	YDOKHDBYVPRVBH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-018882
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c12c(CCCCN1CC1CC1)cc(C(=O)NC)s2	MCULE-6442815393,EMOLS-id_168571923	264.386	BPKWPAANOSPMHR-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-019123
c1(c2CCCCCCc2sc1N)C(=O)NC1CC1	EMOLS-id_29552648,PC-id_3314535,CoCoCo_6801428,TIMTEC261511,MCULE-2758692118,ZINC22_6293135	264.386	KHJWXZXJBCNUNT-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-019124
c1(sc2c(CCCCC2)n1)NC(=O)C1CCCC1	MCULE-3790227460,SPECS-id_AN-153/J102776,CoCoCo_1094712,PC-id_17233964,EMOLS-id_13191532,ZINC22_12343590	264.386	YUZDBLQUANAFRX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-019125
CC[C@@H]1C[C@H]1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319183263	264.386	ACDNFEDMKJQLOB-GHMZBOCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-019126
CNC1CC(C1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318977170	264.386	KIFLSKWSNPZWBM-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-019127
CNC1(CCC1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319781999	264.386	QYJAYIJJIXIFHK-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-019128
CNC1C(=O)N(CCc2c1scc2)CC1CCC1	SCHEMBL14171075,PC-id_22985016	264.386	KMOBUUHIXBIICE-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-019129
CN(C(=O)c1cc2c(s1)CCCCC2)C1CNC1	PC-id_66186393,EMOLS-id_302630641	264.386	SSFUGIHROXLCKU-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-019130
NC1CC(C1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_43594866,EMOLS-id_315113388	264.386	ROSNJKJTYQDNQV-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-019131
NC1CCN(C1)C(=O)c1cc2c(s1)CCCCC2	MCULE-8944108352,PC-id_62069039,EMOLS-id_301299123	264.386	CYOAEIYFZBNYGA-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-019132
CCN1C=CC(=N1)NC(=O)C2=C3C=CC=CC=C3C=C2	PC-id_161855228	265.122	XZOWHQBPPUPKSJ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-019253
Nc1sc2c(c1C(=O)N1CCCC1)CCCCC2	PC-id_20109789,EMOLS-id_315956975	264.386	GWBKAKLNTXYHOH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-019133
NCC=CCNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_315907357	264.386	VYNWCNRBEUFBOS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019134
NC/C=C/CNC(=O)c1cc2c(s1)CCCCC2	PC-id_113414849	264.386	VYNWCNRBEUFBOS-SNAWJCMRSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019135
N[C@@H]1CCN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_301523563,MCULE-5470262231,PC-id_81469860	264.386	CYOAEIYFZBNYGA-LLVKDONJSA-N	00000010100000000100000000000010000000000000000000000000	31-01-019136
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NC(=O)c1c(NC2CCC2)sc2c1CCCCC2	PC-id_143029555	264.386	OTTXMIKLYQAMBL-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-019138
NNC(c1cc2c(s1)CCCCC2)C1=CCCO1	PC-id_102654424	264.386	VGCRERVAUUKBKK-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-019139
O=C(C1CC1(C)C)N1CCCCc2c1sc(n2)C	EMOLS-id_319409084	264.386	HEBOVDNXRDAHAL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-019140
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O=C(c1cc2c(s1)CCCCC2)NC1CNCC1	PC-id_55068410,EMOLS-id_301287111,MCULE-1515342853	264.386	CWBMQHGLDBKJCE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-019142
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O=C(c1cc2c(s1)CCNCC2)NC1CCCC1	PC-id_46849910,SCHEMBL3002439	264.386	DNFBQUPVJWMOOH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-019144
O=C(N1CCCCc2c1sc(n2)C)C1CCCC1	EMOLS-id_319396158	264.386	HDMPPYVOLCNNNJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-019145
O=C(N1CCCCc2c1sc(n2)C)CC1(C)CC1	EMOLS-id_320058464,MCULE-1143319985	264.386	PJYKPVUEYUPRPR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-019146
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s1c2c(CCCCC2)cc1C(=O)N[C@@H]1CCNC1	PC-id_79685200	264.386	CWBMQHGLDBKJCE-LLVKDONJSA-N	00000010100000000100000000000010000000000000000000000000	31-01-019148
s1c2c(CCCCC2)cc1C(=O)N[C@H]1CCNC1	PC-id_79689715	264.386	CWBMQHGLDBKJCE-NSHDSACASA-N	00000010100000000100000000000010000000000000000000000000	31-01-019149
s1c2CCCCCc2cc1C(=O)NN=C(CC)C	PC-id_78620829	264.386	DAMMDAJIHSVCLS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019150
s1c2CCCCCc2cc1C(=O)N/N=C(CC)/C	PC-id_8159584	264.386	DAMMDAJIHSVCLS-GDNBJRDFSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019151
s1c2CCCCCCc2nc1NC(=O)CCC=C	PC-id_56387754	264.386	IOGXJIWXEFZYEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019152
CC1NCC(Sc2c1ccs2)S(=O)(=O)N	PC-id_19106458,SCHEMBL9429493	264.388	UZQSPWKNLNLQLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019153
CC1NCCSc2c1cc(s2)S(=O)(=O)N	SCHEMBL9429886,PC-id_57146766	264.388	WLYHNDJINFOGBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019154
C[C@@H]1NC[C@H](Sc2c1ccs2)S(=O)(=O)N	SCHEMBL9429496,PC-id_22849730	264.388	UZQSPWKNLNLQLL-CAHLUQPWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019155
C[C@H]1NCCSc2c1cc(s2)S(=O)(=O)N	PC-id_67849898,SCHEMBL9429889	264.388	WLYHNDJINFOGBB-RXMQYKEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019156
C[C@@H]1NCCSc2c1cc(s2)S(=O)(=O)N	PC-id_67849899,SCHEMBL9429893	264.388	WLYHNDJINFOGBB-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019157
s1c2nnc1C(O)(CSSCC2(O)C)C	PC-id_22757102	264.388	ITKCDVGZSOPBAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019158
S1CCOCCOCCSc2sc1nn2	PC-id_641384	264.388	UDDSBZJTRHKBFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019159
CCCCCC1=NCC(=Nc2c1c(C)nn2C)S	PC-id_136476105,SCHEMBL11664500	264.39	UELUWPGYPJVZQM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-019160
CCC(C(=N)N1CCCc2c(C1=N)ccs2)CN	PC-id_141859849	264.39	NRPJUVPSRFOAAJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019161
C#CCNCC(Sc1nnc2n1CCCCC2)C	PC-id_62577716,EMOLS-id_314219008	264.39	BHHBADZMSKBFTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019162
N#CC(CCSc1nnc2n1CCCCC2)(C)C	EMOLS-id_314618367,PC-id_65256976	264.39	LHJAOWXGCHUVBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019163
CCCCc1cc2c(o1)CCC[C@H](C2)OC(C)(C)C	PC-id_101525613	264.403	ATCJBGCYXXJPTD-OAHLLOKOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019164
CCCCc1cc2c(o1)CCC[C@@H](C2)OC(C)(C)C	PC-id_101525614	264.403	ATCJBGCYXXJPTD-HNNXBMFYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019165
C(CCCc1ccc2-c(cc1)cc(c2)C#C)CCCC	PC-id_11230859	264.405	CUSQAXAGQKXDNJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019166
CCCNC1CCCCc2c1cn(c2)CCC(O)C	PC-id_104318948	264.406	PEBASNOXUHIWEE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019167
CCCNC1CCCCc2c1cn(c2)CC(CO)C	PC-id_116493753	264.406	UDVLLMHIDZUGNS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019168
CCCNC1CCCCc2c1cn(c2)CC(OC)C	PC-id_104168679	264.406	DEMUQDSVXLAXGK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019169
CCCOCCn1cc2c(c1)CCCCC2NCC	PC-id_106455369	264.406	HTIMPASXNHFSIP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019170
CNC1CCCCc2c1cn(c2)CCC(OC)(C)C	PC-id_103035009	264.406	CQQWCMDRUYTASS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019171
CNC1CCCCc2c1cn(c2)CCOCC(C)C	PC-id_106455366	264.406	HBRQYMIRFZESHE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019172
CNC1CCCCc2c1cn(c2)CCOC(C)(C)C	PC-id_112591113	264.406	VSCXFGUXFMXOBB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019173
COCCCCn1cc2c(c1)CCCCC2NCC	PC-id_104648727	264.406	ZLAKANIGGHLSQG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019174
o1nc(c2CCCCCCCCCCc12)CNCC	PC-id_80463132	264.406	IOLDGMSKFZSIGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019175
OC(c1cscc1)c1cc2c(s1)CCCCC2	PC-id_115805589	264.406	YLTHCJQLRSXIBT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-019176
OCCCCCCn1cc2c(c1)CCCCC2NC	PC-id_107705911	264.406	AJERQBJEQLVYOP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019177
OCCCCCn1cc2C(NCC)CCCCc2c1	PC-id_83207895	264.406	UESXIMRTPDVGOH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019178
OCCCCn1cc2C(NCCC)CCCCc2c1	PC-id_83212426	264.406	NKMOHMJIAYORLQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019179
OC(CCn1cc2C(NCC)CCCCc2c1)(C)C	PC-id_83212915	264.406	JWBACSAWIFKIQA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019181
O(CCCn1cc2C(NCCC)CCCCc2c1)C	PC-id_83212591	264.406	VWYWNEQTWYICPL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019182
O(CCn1cc2C(N)CCCCc2c1)CCC(C)C	PC-id_83208326	264.406	FZGHCDIIPNQMQF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019183
O(CCn1cc2C(NC)CCCCc2c1)CCCC	PC-id_83207975	264.406	DSDONWKTXAEFDK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019184
O(CCn1cc2C(NCC)CCCCc2c1)C(C)C	PC-id_83208479	264.406	YKFKONBOBZESND-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019185
O(CCn1cc2C(NCCC)CCCCc2c1)CC	PC-id_83212672	264.406	WUBKGGPRYJLTLY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019186
s1c2c(CCCCC2)cc1C(O)c1sccc1	PC-id_61087875	264.406	ZULMHFCICDNSTK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-019187
c12SC(C)C(=O)C(C)Sc1sc(=O)s2	MCULE-2308622520,PC-id_4998542,TIMTEC204111	264.408	HVUHBUIUDMPIEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019188
C[C@@H]1Sc2sc(=O)sc2S[C@H](C)C1=O	PC-id_27235056,ZINC22_16608020	264.408	HVUHBUIUDMPIEE-ZXZARUISSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019189
C[C@H]1Sc2sc(=O)sc2S[C@H](C)C1=O	PC-id_40541654,ZINC22_5515730	264.408	HVUHBUIUDMPIEE-QWWZWVQMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019190
C[C@@H]1Sc2sc(=O)sc2S[C@@H](C)C1=O	ZINC22_5533087,PC-id_40543953	264.408	HVUHBUIUDMPIEE-IMJSIDKUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019191
CCCc1nn(c2c1NCC(CN2)CC(C)(C)C)C	PC-id_136858010	264.41	PLYGIERSOGSJLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019192
CCCc1nn(c2c1NCCC(N2)CC(C)(C)C)C	PC-id_136952853	264.41	SAFJIGNPKBDAPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019193
CCCC(NC(c1nnc2n1CCCCC2)C)CC	PC-id_103920945	264.41	GRIBSLNTVGGWQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019194
CCCNC1CCCCc2c1cnn2CCN(C)C	PC-id_107384438	264.41	XTMUNBAEMNPTSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019195
CCCNCCCNCc1n[nH]c2c1CCCCC2	PC-id_104422986	264.41	VOTKLTKGTHYTOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019196
CC(CNCCNCc1n[nH]c2c1CCCCC2)C	PC-id_104379287	264.41	GCRPFDATYAVMKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019197
CCCNCC(NCc1n[nH]c2c1CCCCC2)C	PC-id_104395943	264.41	VRBAJXPWVWNNSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019198
CCCNCCN(Cc1n[nH]c2c1CCCCC2)C	PC-id_104413359	264.41	YJIZKQLCHDGXCK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019199
CC(N1CC(C)(C)Cn2c(C(CC1C)C)nnc2)C	PC-id_139407918,SCHEMBL21265215	264.41	UECGMERCPOJIOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019200
CC(NCc1n[nH]c2c1CCCCC2)CNC(C)C	PC-id_104396318	264.41	UYCDTCAOAZFTLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019201
CC(NCCCNCc1n[nH]c2c1CCCCC2)C	PC-id_104423316	264.41	HCZSSHRMTMNWSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019202
CCN(CC(NCc1n[nH]c2c1CCCCC2)C)C	PC-id_103110126	264.41	LWONBMYIZUCCHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019203
CC(NCCNCc1n[nH]c2c1CCCCC2)(C)C	PC-id_104378921	264.41	AMYBZAOJJLNRCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019204
CCN(CCNCc1n[nH]c2c1CCCCC2)CC	PC-id_104384925	264.41	PHIONCOBRZAEAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019205
CC(NCCN(Cc1n[nH]c2c1CCCCC2)C)C	PC-id_104413605	264.41	WHTRPJXRTFDGAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019206
n12CCCCCc1nnc2C(NCC(CCC)C)C	PC-id_43746910	264.41	QDQDWRMNCHGOOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019207
n12CCCCCc1nnc2C(NCCCCCC)C	PC-id_43746920	264.41	ZVPLNFCRMJXAGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019208
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n12CCCCCc1nnc2C(NC(CC(C)C)C)C	PC-id_43746951	264.41	HOLVVMCMDKEVNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019210
n12CCCCCc1nnc2C(NC(CCCC)C)C	PC-id_43791288	264.41	FMOUYAIXXAEEKQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019211
n12CCCCCc1nnc2C(NCCC(C)(C)C)C	PC-id_55155424	264.41	LDOKRKQNPHHPEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019212
n12c(nnc1CCCCC2)CCC(CCC)CCN	PC-id_64344745	264.41	YBIUSSWWUZWHKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019213
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n12c(nnc1CCCCC2)C(NC(C(CC)C)C)C	PC-id_43746913	264.41	AIXBCKDZOBFIHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019215
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C=CCCCC(c1cc2c(s1)CCCCC2)NN	PC-id_105311191	264.429	MDZGWXONQGBGQF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019225
CCC(=C)CC(c1cc2c(s1)CCCCC2)NN	PC-id_105320230	264.429	GJEBFATWPMQAJZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019226
C(NCc1cc2c(s1)CCCCC2)CNC1CC1	PC-id_113405351,EMOLS-id_315863287	264.429	KRSVJQKUSOYWNW-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-019227
NNC(c1cc2c(s1)CCCCC2)C1CCCC1	PC-id_105282364	264.429	NAAFSYNFRWJZQG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-019228
NNC(c1cc2c(s1)CCCCC2)CC1CCC1	PC-id_105309957	264.429	DWGCPVUWWPYTBL-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-019229
NNC(c1cc2c(s1)CCCCC2)CCC1CC1	PC-id_105315000	264.429	AJAGSPHTXHUMJI-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-019230
NNC(c1cc2c(s1)CCCCC2)CCC(=C)C	PC-id_105335770	264.429	MGEONQPYESYNIX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019231
s1c(nc2c1CCCCC2)[C@@H](N)C1CCCCC1	PC-id_83331048	264.429	IJPPXQGRYCZPQA-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-019232
s1c(nc2c1CCCCCC2)[C@@H](N)C1CCCC1	PC-id_83331051	264.429	LNECNOVCSLSQPC-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-019233
S=c1sc2c(s1)S/C=CO/C=CS2	PC-id_101940045	264.431	CWGMHVRUHPFFNB-CCAGOZQPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-019234
Cc1c(sc2c1CC(CCCC(C2)(C)C)(C)C)C	PC-id_91035385	264.469	KROSVQVUUVQIGG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019235
CC(C1CCCc2c(C1)sc(c2)C(C)(C)C)(C)C	SCHEMBL21234759,PC-id_139380205	264.469	ASTKPSOCASLEHB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019236
CCCCCCc1sc2c(c1)CCCCCCC2	PC-id_142757666	264.469	JBSGRPMRAXNWFT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019237
ClCC#CCn1c2c(C(=O)CCN(C2=O)C)cc1	SCHEMBL9039661,PC-id_15291633	264.708	PQQMYUPPYOPTIG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019238
Clc1cc2c([n-]1)C(C=CC=C2)C#Cc1ccccc1	PC-id_101208352	264.729	CDGURFKSJYJQJT-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-019239
Clc1ccc(/C=C/c2c3-c(cc2)ccccc3)cc1	PC-id_11817940	264.749	DQYBHLPLFWGYJI-RMKNXTFCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-019240
Clc1ccc(C=Cc2c3-c(cc2)ccccc3)cc1	PC-id_71376502	264.749	DQYBHLPLFWGYJI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-019241
ClCC(=O)c1c2-c(c(CSC)cccc2)cc1	PC-id_13349671	264.77	JKPNSYVGKUMIGK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019242
ClS(=O)(=O)c1c2CCCCCCc2sc1	PC-id_71670731	264.792	HIICDTRNFQHVCO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019243
ClS(=O)(=O)c1sc2CCCCCCc2c1	PC-id_71670744	264.792	RQSZLSMXUGHJCX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019244
ClS(=O)(=O)Cc1cc2c(s1)CCCCC2	PC-id_112639720,EMOLS-id_50798619	264.792	IWWNPCGDAUYWPW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019245
C1C[I-]CCC2=C1C=CS2	PC-id_163859322	264.955	AAMZCKGOMYIXJT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019246
Ic1nnc2n1CCOCC2	PC-id_143209082	265.052	HFIISFOAEFWKAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019247
CCOC(=O)N1CCC2=C(CC1)SC(=C2)C=C=O	PC-id_153817966	265.077	VOVOFAVORAATHQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019248
Brc1c(c2-c(c1)ccccc2)C(=O)OC	PC-id_10967405	265.103	UFJHSVSHEABXRK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019249
Brc1ccc2-c(cc(OC(=O)C)c2)cc1	SCHEMBL9780981,PC-id_67926659	265.103	LIDHSVBTAYIZJZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019250
CC(=O)Oc1ccc2-c1cccc(c2)Br	PC-id_101135352	265.103	XPZJARDKVJFWMU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019251
O=C(OC)c1cc(Br)c2-c1ccccc2	PC-id_11173117,CNP0030944	265.103	RBMQCGKCVFCASV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019252
Brc1oc2CCS(=O)(=O)CCc2c1	PC-id_84807535	265.124	VISQREFFXQEAML-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019254
Brc1nn2c(c1)CCCS(=O)(=O)C2	SCHEMBL20516617,PC-id_135342341	265.128	IYZMVUJZOMKVNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019255
Brc1n[nH]c2c1CCS(=O)(=O)CC2	PC-id_105515285	265.128	XEMKPOILZGJFAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019256
CC(C)(CN1CCc2cc(nn2CC1=O)C(=N)N)O	PC-id_164005477	265.154	UMRLNNVKAIMSOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019257
CC(C)(C)OC(=O)N1CC(CN2C=CC=C2C1)CN	PC-id_165367486	265.179	ACYFDLCLOCUIEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019258
CC(C)(C)CC(C)(C)C1=CC2=C(S1)CCNCC2	PC-id_154484484	265.186	VGDJOBKDGJBHGU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019259
Cc1c2c(=O)ccc(c(c2c(o1)C)[O-])C=C(C#N)C#N	PC-id_135041555	265.244	MUDKEEPVNKZAQR-UHFFFAOYSA-M	00000000100000000110000000000010000000000000000000000000	31-01-019260
C1CN(CCc2c1nc(s2)N)C(=O)C(F)(F)F	SCHEMBL3881858,PC-id_86621189	265.255	CXRDZSYYRXWCQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019261
OC(=O)c1cc2CN(CCCc2o1)C(=O)OCC=C	EMOLS-id_331241237	265.262	VMTTVYDYSZLDDR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019262
OC(=O)c1cc2CN(CCCn2n1)C(=O)OCC=C	EMOLS-id_331241241	265.265	RWSUWRJAQLGRRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019263
OC(=O)C1CN(Cc2ccnn2C1)C(=O)OCC=C	EMOLS-id_331240474	265.265	DSBWNKVSRHDWEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019264
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o1c2c(nc1)cc(/N=N/c1ccc(cc1)C)ccc2=O	PC-id_14042914	265.267	ANNDVZBARDHMCB-ISLYRVAYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-019266
o1nc(c2c1c(=O)ccc(/N=N/c1ccccc1)c2)C	PC-id_13812964	265.267	CERGVTGAZXAYKI-WUKNDPDISA-N	00000000100000110111000000000010000000000000000000000000	31-01-019267
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C1C(c2c(NC=N1)n(cn2)CCCCCC(=O)[O-])O	BindingDB_PC-id_91931325,PC-id_91931325	265.288	DCNRYQVPBLIOAY-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-019272
C1CN(CCn2c1n[nH]c2=O)C(=O)c1cscn1	MCULE-2402038089,EMOLS-id_50586839,PC-id_91922530	265.292	BJNBBZDPHHEPLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019273
C[C@H]1CNCc2c(O1)c(cs2)C(C(F)(F)F)C	SCHEMBL9902326,PC-id_50925299	265.295	CITOZSHAMSETLG-PKPIPKONSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019274
s1c2c(OC(CNC2)C)c(C(C(F)(F)F)C)c1	PC-id_75583214	265.295	CITOZSHAMSETLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019275
CCCOC(=O)C1CCCCn2c1c(cc2)C(=O)O	PC-id_20484216,SCHEMBL11201446	265.305	LRICCABGTAPCIW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019276
CC(OC(=O)C1CCCCn2c1c(cc2)C(=O)O)C	SCHEMBL11195505,PC-id_20483826	265.305	NAFVLXIZRHJQNU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019277
COC(=O)C1CCCCn2c1c(C(=O)OC)c(c2)C	PC-id_70535859,SCHEMBL11200619	265.305	AFRNYUDAODUXPU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019278
COC(=O)c1[nH]c2c(c1C(=O)OC)CCCCCC2	PC-id_102486731	265.305	LBALIBRBUWISTL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019279
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COc1cccc(c1)/C=C/1Cn2cccc2C=CC1=O	PC-id_101582956	265.306	AYHZUWUMMPCYEZ-GXDHUFHOSA-N	00000000100000110110000000000010000000000000000000000000	31-01-019283
Cc1ccc(cc1)NC(=O)c1cc2=CC=CCC=c2o1	PC-id_142812088	265.307	NTTDMLYECSGDRM-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-019284
c12nn(cc1C(=O)CCCN2C(=O)OC(C)(C)C)C	MCULE-1348113389,CoCoCo_2523505,PC-id_46344475,EMOLS-id_24404742	265.308	BZJMJVGRYVIQDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019285
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1COCCO1	EMOLS-id_319243764	265.308	FRTKARSAZLTIEH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-019288
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(O)COCC1	MCULE-3473698544,EMOLS-id_319876480	265.308	JZLMGAUHRBXOBX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-019289
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1OCCO1	EMOLS-id_319187553	265.308	PDNUICFLOBOBES-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-019290
CC(C)(C)OC(=O)C1CCn2c(CN1)ncc2C=O	EMOLS-id_76733147,PC-id_118798364,MCULE-7551854364	265.308	LWJQXBNVBVAWOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019291
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CC(C)(C)OC(=O)N1CCCn2ncc(C=O)c2C1	EMOLS-id_317748459	265.308	SKNCALYGTAVRST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019293
CC(C)(C)OC(=O)N1CCCn2nc(C=O)cc2C1	PC-id_112547178,ZINC22_95630214,MCULE-3528899316,EMOLS-id_44390422	265.308	QJLVWVNICAJEQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019294
CNC1C(=O)N(CCc2c1ocn2)CC1CCCO1	SCHEMBL14171235,PC-id_23554615	265.308	AQUUXZMAKRUUJR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-019295
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CN(CCOC)C(=O)c1c2CCCCC(=O)c2n[nH]1	PC-id_89903234,SCHEMBL15386624	265.308	XRIJPENLZWTFTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019297
COC(=O)CCNC(=O)c1c2c(CCCCC2)[nH]n1	EMOLS-id_323253424,MCULE-1864602538	265.308	XMLYACPLJFTVLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019298
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Fc1cnc(nc1)Sc1nnc2n1CCCCC2	EMOLS-id_111960632	265.31	BYGACZIEYUZXEW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-019314
Fc1ncnc(c1)Sc1nnc2n1CCCCC2	PC-id_113305738	265.31	YKLJUPHFODRBMO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-019315
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c12c(n(cn1)CCCCCC(=O)N)NC=NCC2O	CHEMBL36951,PC-id_10778095,BindingDB_PC-id_10778095	265.312	ADIOEIGEIGORIL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-019321
CC(C)NC(=O)C1CN(Cc2ccnn2C1)C(=O)N	PC-id_118739721,EMOLS-id_44326609	265.312	IMGJFQKZMYBHMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019322
CC(C)NC(=O)[C@@H]1CN(C(=O)N)Cc2ccnn2C1	PC-id_97463194,ZINC22_96188763	265.312	IMGJFQKZMYBHMF-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019323
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O=C1CCCCC1Sc1nnc2n1CCCCC2	PC-id_43413556,EMOLS-id_102278565	265.374	ZEMOXDBTGBSSAZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-019519
O=C(C1CCCN1)Nc1nc2c(s1)CCCCC2	PC-id_102554241	265.374	IGUWXRCSBQEPNN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-019520
O=C(C1(C)CNC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_102122161	265.374	CPGSHHXSTCPWND-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-019521
O=C(C1CNCC1)Nc1nc2c(s1)CCCCC2	PC-id_119700483,MCULE-4355116096,EMOLS-id_301829302	265.374	OQVXZODISGLLRU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-019522
O=C(c1nc2c(s1)CCNCC2)N1CCCCC1	ZINC22_96146997,EMOLS-id_44303962,PC-id_97442521	265.374	YGPUKIOCTLGRBB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-019523
O=C(C1(N)CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_302125103,MCULE-2910289905,PC-id_119743791	265.374	HKANSXKOWVGASG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-019524
O=C(N1CCCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_102534857	265.374	CBUQMWKJASUSDS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-019525
O=C(NC1CC1C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110460009	265.374	HKJMLYAWPJEWTP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-019526
O=C(Nc1nc2c(s1)CCCCC2)NC1CCC1	EMOLS-id_110239137	265.374	VFPRWMJRLUKQAD-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-019527
O=C(Nc1nc2c(s1)CCCCC2)NCC1CC1	EMOLS-id_110278595	265.374	VMYSXNJFLAUIGA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-019528
O=C(Nc1sc2c(n1)CCCCCC2)NC1CC1	EMOLS-id_101101052	265.374	KEWNOWCZBXGIDL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-019529
S(C1CCCC(=O)C1)c1n2CCCCCc2nn1	PC-id_64715867	265.374	HZNSPPGMIWHZSW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-019530
S(C1C(C(=O)CC1)C)c1n2CCCCCc2nn1	PC-id_64905490	265.374	SVTIUMBLWTXDHT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-019531
CCNC(CSc1nnc2n1CCCCC2)C#N	PC-id_61920090,EMOLS-id_315115265	265.378	NJLJGUPRJLZHNB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019532
CN1CCCn2c(C1)cc(n2)CNC1=NCCS1	PC-id_144720870	265.378	SVQJOZOABQEQDK-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-019533
CNC(CCSc1nnc2n1CCCCC2)C#N	PC-id_63054429,EMOLS-id_314626720	265.378	HQSOXDICCJGGIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019534
CNC(CSc1nnc2n1CCCCC2)(C#N)C	PC-id_61927768,EMOLS-id_314890935	265.378	UPNUBOLOGFLPFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019535
N#CC(CCSc1nnc2n1CCCCC2)(N)C	PC-id_61928177,EMOLS-id_314140531	265.378	OYUCKYQWTJBDQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019536
OC1c2c(CCCC1)cn(c2)CCOCCC(C)C	PC-id_83208342	265.391	PPNCGLIWSYMDHA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019537
s1c2CCCCCCCCCCc2cc1C(=O)[O-]	PC-id_27460146	265.391	LNSQBMPERJWUBR-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-019538
CC(=C)c1ccc(c2-c(c1)c(cc2)C=NC(C)(C)C)C	PC-id_67702769,SCHEMBL8821558	265.393	SSTSRSIBSIOMIZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019539
[N+](#[C-])c1cc2-c(c(cc2C(C)(C)C)C(C)(C)C)ccc1	PC-id_86052658	265.393	PTHRBMXELZQIJN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019540
NC(C=Cc1c2-c(c(ccc(c2)C(=C)C)C)cc1)(C)C	PC-id_57131532	265.393	KXSPAWSHPVYABB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019541
N#CC(CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)C	SCHEMBL9635870,PC-id_21751378	265.393	ARGPVGDHBHVERW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019542
N#CCCCCc1c2-c(cc(C(C)C)cc1)c(cc2)C	PC-id_85664762	265.393	OMINQJMLCQNLMK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019543
c12OCCCC(N)c1c(nn2C(C)(C)C)C(C)(C)C	MCULE-2843623025,EMOLS-id_320450833	265.394	JVFBWTNVYWIKAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019544
CC/C=CC1=C(C=C)OCCc2c1[nH]c(=S)s2	PC-id_142037376	265.394	WVJTUJOUPNOLQT-WAYWQWQTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-019545
S1CCC(C(=O)c2c1sc(c2)CCC)CC#N	PC-id_10778118	265.394	YAMMWJSERDFJHT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019546
[NH+]1(CC[NH+](CC1)C)CCc1n2CCCCCc2nn1	PC-id_2316789	265.398	WRMJDAMWYYDRPB-UHFFFAOYSA-P	00000000100010000101000000000010000000000000000000000000	31-01-019547
s1c2CCCCCc2nc1Cc1nc(sc1)N	PC-id_83332857	265.398	PHDXCIROIVEHMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019548
c12C(=NO)CCCCc1sc(CCCCCC)c2	PC-id_2837712,MCULE-4007105374	265.414	SRUCTOBEZMNROB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019549
CCCCCCc1cc2c(CCCC/C/2=NO)s1	CoCoCo_613771,CK1917832,ZINC22_4977292,EMOLS-id_25848901	265.414	SRUCTOBEZMNROB-JQIJEIRASA-N	00000000100000000100000000000010000000000000000000000000	31-01-019550
CCCCCCc1sc2c(c1)/C(=NO)/CCCC2	CoCoCo_613772,PC-id_5719937	265.414	SRUCTOBEZMNROB-PEZBUJJGSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019551
CC(CCNC(=O)c1csc2c1CCCCC2)C	PC-id_16193881,ChEMBL-DNDi_CHEMBLC760-0955,CHEMBL1330267	265.414	AJMSAWCTPSTGOD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019552
CC([C@H]1COCCCCCCCC[n+]2cn1cc2)C	PC-id_102392320	265.414	LEKHRXNSLVSMII-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019553
CC[C@H](NC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_95358356	265.414	AAUUPEAILLIKII-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019554
CC[C@@H](NC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_95358357	265.414	AAUUPEAILLIKII-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-019555
CCC(NC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_60629228,EMOLS-id_314913913	265.414	AAUUPEAILLIKII-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019556
CC(CNC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_60631286,EMOLS-id_314604480	265.414	YMLPUIWSFCNCFU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019557
CC(=O)c1sc2c(n1)CCCCCCCCCC2	PC-id_63526328,EMOLS-id_315126076	265.414	NIPIHPBXJYUVHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019558
CNC(c1cc2c(s1)CCCCC2)C1COCC1	PC-id_115856608	265.414	FGECKRMHGUZPKT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-019559
Nc1sc2c(c1C(=O)C(C)(C)C)CCCCCC2	EMOLS-id_315347809,PC-id_65355294	265.414	XFFFGTYLHRVOKS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019560
NC(c1cc2c(s1)CCCCC2)C1CCCOC1	PC-id_107139051	265.414	AITONMVNZBGGQK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-019561
NC(c1cc2c(s1)CCCCC2)C1CCOCC1	PC-id_113667305	265.414	FBPVIHFVBYIGPO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-019562
OC1(CN2CCCc3sccc3C2)CCCCC1	EMOLS-id_50317533,MCULE-7226097034,PC-id_99773945,ZINC22_169981630	265.414	KRATWWABCIZCML-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-019563
O=C(c1sc2c(c1)CCCCCC2)NC(C)(C)C	PC-id_30780728,EMOLS-id_315235567	265.414	JHOPZQSRSPCKFF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019564
s1c2c(CCCCC2)cc1CNCC1OCCC1	PC-id_54884239	265.414	SEUKWAOXXGDIOU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-019565
s1c2CCCCCCc2cc1C(=O)N(CC)CC	PC-id_60629704	265.414	QSIURSFFJJZJQR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019566
s1c2CCCC=C(NO)c2cc1CCCCCC	PC-id_2057018	265.414	UJESHBWNRZTDCY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-019567
N1CCN(CC1)Cc1sc2c(n1)CCCCCC2	PC-id_63333143,EMOLS-id_314217142	265.418	KTVYWQMSNOSBPR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-019568
s1c2CCCCCc2cc1C(=NC(C)(C)C)NN	PC-id_61361717	265.418	PPXOMLYYFAEJKL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019569
s1c(nc2c1CCCCC2)C(N1CCNCC1)C	PC-id_63342251	265.418	HOFROXLHXCVTER-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-019570
S(CC1CCCCC1)c1n2CCCCCc2nn1	PC-id_47096082	265.418	PQDYVRUFUMQSOE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-019571
Cn1c(c2c(n1)SSSSS2)C#N	SCHEMBL10492105,PC-id_86134263	265.422	QKGBYDZWHDWPNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019572
CCC(CC(c1cc2c(s1)CCCCC2)N)CC	PC-id_105028448	265.457	WPWWKNHBNVPVLX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019573
CCCCC(c1cc2c(s1)CCCCC2)NCC	PC-id_113664946	265.457	MYGCJVFMRXBXMT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019574
CCCC(C(c1cc2c(s1)CCCCC2)NC)C	PC-id_114013535	265.457	DRXAHKNDHGAAQB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019575
CCC(CC(c1cc2c(s1)CCCCC2)NC)C	PC-id_115846332	265.457	ZJMPQELHGFSPNF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019576
CC(CCCC(c1cc2c(s1)CCCCC2)N)C	PC-id_105029031	265.457	XEBAECOZKOVJFI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019577
CCCCCC(c1cc2c(s1)CCCCC2)NC	PC-id_115837471	265.457	OBWKWYNMJHQILA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019578
CCCC(CC(c1cc2c(s1)CCCCC2)N)C	PC-id_115845705	265.457	YPLLUPKKTNIYRI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019579
CCCCCCC(c1cc2c(s1)CCCCC2)N	PC-id_115833797	265.457	BTIRWAVCBLHIQR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019580
CCCNC(c1cc2c(s1)CCCCC2)CCC	PC-id_113658533	265.457	MVRGKROIEWZGDZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019581
CCCNC(c1cc2c(s1)CCCCC2)C(C)C	PC-id_114978395	265.457	MKHRJWZWEZYAIJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019582
CCNC(c1cc2c(s1)CCCCC2)C(CC)C	PC-id_105017258	265.457	GCJUXCJAPHCDDW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019583
CCNC(c1cc2c(s1)CCCCC2)CC(C)C	PC-id_115781972	265.457	VNYBYLDQSVPRNK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019584
CCNC(C(C)(C)C)c1cc2c(s1)CCCCC2	PC-id_115854172	265.457	MIQKHZWSGSBPBD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019585
CNC(c1cc2c(s1)CCCCC2)C(CC)CC	PC-id_105013956	265.457	UUOTWMCWUAJWDQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019586
CNC(c1cc2c(s1)CCCCC2)CCC(C)C	PC-id_113665192	265.457	PPXKSVMJGBVBMU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019587
CNCc1csc2c1CCCCCCCCCC2	PC-id_114748732	265.457	HNVWBGBNAIPRJE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019588
CNCC(c1c(CCC)sc2c1CCCCC2)C	PC-id_68334769,SCHEMBL12644149	265.457	MGBDIZITIWJWOU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019589
NC(c1cc2c(s1)CCCCC2)CCC(C)(C)C	PC-id_115850194	265.457	DWOVKSXBVMQTSF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019590
CC1CCc2n(C(=C1)SC[Si](C)(C)C)ccc2	PC-id_102345159	265.49	CEIVTGWDYVJRAX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-019591
Clc1cnc(nc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102032897	265.702	YHLSDGNQFOZBTC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-019592
Clc1c2-c(c(c1)/C=N/c1ccccc1)ccccc2	PC-id_10801672	265.737	UPXAKIOXRNCCDF-XDHOZWIPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-019593
Clc1cc2c([nH]1)C(C=CC=C2)C#Cc1ccccc1	PC-id_101208353	265.737	FTJXQLICDFRFNN-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-019594
C1CCC(c2c(CC1)cc([nH]2)C=CCCCl)C=O	PC-id_89210601	265.778	IMWNQUQARBRXNY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019595
ClCC/C=Cc1[nH]c2c(c1)CCCCCC2C=O	SCHEMBL13962397	265.778	IMWNQUQARBRXNY-YWEYNIOJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019596
CCC(=C(c1cc2c(s1)CCCCC2)Cl)C#N	EMOLS-id_38580933,PC-id_76922655	265.802	XJNVYFKSSOHRCS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019597
Cl/C(=C(CC)/C#N)/c1sc2CCCCCc2c1	PC-id_61779369	265.802	XJNVYFKSSOHRCS-GXDHUFHOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019598
Clc1c2-c(ccc2)cc(Cl)c(Cl)c1Cl	PC-id_15053926	265.951	IZVVLALOXPPCFG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019599
CC1=NC2=C(S1)N(CCCC2)CC3=CSN=N3	PC-id_154789078,EMOLS-id_317755094,MCULE-1845080478	266.066	ANESOAYWLOCEFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019600
Brc1cccc2-c(c1)n(C(=O)C)c(=O)c2	PC-id_101833959	266.091	PPBFAYHWWFIEOX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019601
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c1ccc(cc1)COCn1c2-c(ccccc2)nc1=O	PC-id_164084023	266.106	XAEIYWTZBCBRNL-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-019603
CC1=C(C=C2C(=CC1)N=C(N2)CC(O)SOC)C	PC-id_163579361	266.109	GGEZIKYQUAGAQD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-019604
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C1CNC(=O)C2=CC(=CN2C1)C#CC3=NC(=CC=C3)N	PC-id_154339367	266.117	MVONNGURXRFAJG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-019606
Brc1cc2-c(cc(n2)OC(C)C)ccc1	PC-id_85649811	266.134	PRYSHHZFUWYOTN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019607
Brc1cc2-c(cc(=O)n2C(C)C)ccc1	PC-id_85649809	266.134	GXKFZPALQYADRP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019608
Clc1c2CCN(CCc2sc1Cl)C(=O)O	PC-id_70886741,SCHEMBL13354786	266.144	UPUYHGLEJOCXPQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019609
CC1(CC1Cc1nn2CCC(C(=O)N(c2c1)C)N)F	PC-id_163847050	266.154	ORCDXEUXNNCVPE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-019610
CC(C)(C)OC(=O)N1CCCN2C(=C(C=N2)CN)C1	EMOLS-id_317747434,PC-id_165367461	266.174	WBNYEQIQRYLATH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019611
CC(C)(C)OC(=O)N1CC(CN2C=NC=C2C1)CN	PC-id_165367494	266.174	YJZSMXLMPWIHMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019612
CCCOCCc1nn2CCC(C(=O)N(c2c1)C)N	PC-id_163680918	266.174	JKTJDFICANTXMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019613
OC(=O)c1cc2OCC(CCn2n1)OC(F)(F)F	EMOLS-id_337760715	266.174	DQKUVCQERMXOTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019614
CC1=C2C(=NN1C(C)C)C(CSCC2(C)C)(C)C	PC-id_160215627	266.182	RRLMYHWCBPTKBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019615
c1(c2C(=O)CCNC(=O)c2[nH]c1)C(=O)OCCOC	MCULE-7356381246	266.25	YKMNRRXGFVYGQZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019616
O(Cn1c2c(nc1)NC=NCC2=O)CCCC(=O)O	PC-id_10565253	266.253	BZYNXDKFSWTHIB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-019617
O(Cn1c2NC=NCC(=O)c2nc1)CCCC(=O)O	PC-id_10541333	266.253	XNHGVVLBUDVLDQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-019618
FC(F)(F)C(=O)c1c2-c(c(cc(cc2C)C)C)cc1	PC-id_12481014	266.258	BVMQFQANLPCDTD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-019619
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C/C=C/C=C(/c1nc2n(c1)C=CC(C=C2)(C)C)C=C/C	PC-id_142233450	266.381	CQAJWUOOEVNUAK-YRJLEWIDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-019823
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CCNCCCNCc1cc2c(s1)CCCCC2	PC-id_104422641,EMOLS-id_315923204	266.445	DXTXJPWHPRYXLJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019933
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CCSCCCn1cc2c(c1)CCCCC2NC	PC-id_116099748	266.445	SQHANLQNRZMZQY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019938
CCSCCn1cc2c(c1)CCCCC2NCC	PC-id_113473976,EMOLS-id_315020409	266.445	AUJKDZXCRNZWSL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019939
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CNCc1sc2c(n1)CCCCCCCCCC2	EMOLS-id_314187013,PC-id_3249914	266.445	KRRWUWATCXQUDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-019941
CN(CCCNCc1cc2c(s1)CCCCC2)C	EMOLS-id_315934471,PC-id_113411430	266.445	DWGMMLLIJCXJME-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019942
CN(CC(NCc1cc2c(s1)CCCCC2)C)C	PC-id_104406817,EMOLS-id_260004354	266.445	BWCWOXQWRGWYNP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019943
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NNC(c1cc2c(s1)CCCCC2)C(CC)CC	PC-id_105323968	266.445	DGZLOCWZRABYIW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-019948
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Clc1c2-c(c(/N=N/c3ccccc3)c1)ccccc2	PC-id_4492015	266.725	YHULWJAIJGGMEE-VHEBQXMUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-019961
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CN([C@@H](C(=O)N1CCCCc2c1sc(n2)C)C)C	EMOLS-id_318937647	267.39	CYBSDARCGTVHFV-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020202
CN([C@H](C(=O)N1CCCCc2c1sc(n2)C)C)C	EMOLS-id_319744917	267.39	CYBSDARCGTVHFV-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-020203
NCCCC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_301457714,PC-id_119300575,MCULE-6210630088	267.39	UMNOLBFILRHQHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020204
NCC(C(=O)Nc1sc2c(n1)CCCCCC2)C	MCULE-2135813642,PC-id_121727923,EMOLS-id_303003325	267.39	XSUUQQPESAMHLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020205
OC1(CCCC1)CSc1nnc2n1CCCCC2	PC-id_65213070,EMOLS-id_315309138	267.39	VIIVZWACWYMWLY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-020206
O=C(C(C)(C)C)CSc1nnc2n1CCCCC2	EMOLS-id_314079054,PC-id_43413555	267.39	PMYMJGORBRQPOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020207
O=C([C@@H](N)C)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319913297,MCULE-5632302687	267.39	VGKBDLCSGGILRI-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-020208
O=C([C@H](N)C)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319993188,MCULE-4272015856	267.39	VGKBDLCSGGILRI-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020209
O=C(C(N)(C)C)Nc1sc2c(n1)CCCCCC2	PC-id_119300547,MCULE-7635960538,EMOLS-id_301459760	267.39	XYSQVKQYUZWQDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020210
O[C@@H]1CCCC[C@H]1Sc1nnc2n1CCCCC2	PC-id_102732753	267.39	SPZJGXTYODTHBS-GHMZBOCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-020211
O[C@H]1CCCC[C@@H]1Sc1nnc2n1CCCCC2	PC-id_113729845	267.39	SPZJGXTYODTHBS-QWRGUYRKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-020212
O=C(NC(C)(C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110343336	267.39	WKXAKAJIEFIRDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020213
s1c2CCCCCc2cc1/C(=N/CCOC)/NN	PC-id_62544143	267.39	DFUYOKUPOXBEBH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020214
s1c2c(nc1N(CC)CC)CC(CNC2=O)(C)C	PC-id_781004	267.39	NTZOUJJCRUXENE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020215
S(C1C(O)CCCC1)c1n2CCCCCc2nn1	PC-id_60714890	267.39	SPZJGXTYODTHBS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-020216
CCC(Sc1nnc2n1CCCCC2)CC(=N)N	EMOLS-id_314554019,PC-id_43369056	267.394	OGKGUTVHOLDVQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020217
CSC1(CCC1)CNC1CCn2c(CC1)nnn2	EMOLS-id_102002520	267.394	OERGFALYBUKYDV-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-020218
NC(=N)CCCCSc1nnc2n1CCCCC2	EMOLS-id_315165900,PC-id_54965700	267.394	PUMSDNZXSSTSGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020219
C[NH+](CCNC(=O)c1cc2c(s1)CCCCC2)C	PC-id_27233604,GD-id_ZINC16605105	267.41	DHBVCHVCDFGGDJ-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-020220
C[NH+](CCNC(=O)c1csc2c1CCCCC2)C	GD-id_ZINC05070320	267.41	LYUYPWXCLYCPNC-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-020221
O=C([C@H]1CCCS1)N1CCCc2sccc2C1	PC-id_97580640,ZINC22_96436397	267.41	LQMPDAYMZNXGKC-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-020222
O=C([C@@H]1CCCS1)N1CCCc2sccc2C1	ZINC22_96436396,PC-id_97580639	267.41	LQMPDAYMZNXGKC-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-020223
O=C(N1CCCc2c(C1)ccs2)C1CCCS1	PC-id_84585131,EMOLS-id_49065278,MCULE-1287569909	267.41	LQMPDAYMZNXGKC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-020224
S=c1n(n2CCCCCc2n1)C[NH+]1CCCCC1	PC-id_41097273	267.414	WLAXTACKSFQLSL-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-020225
S=c1n(nc2n1CCCCC2)C[NH+]1CCCCC1	PC-id_2338522	267.414	VDAWJHVRHOQBSD-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-020226
S(C[NH+]1CCCCC1)c1n2CCCCCc2nn1	PC-id_51700857	267.414	ZDWKTGWGTLWZHH-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-020227
CC(c1sc2c(n1)CCCCCCCCCC2)O	PC-id_63524744,EMOLS-id_314965656	267.43	NKTCRRQGPAONEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020228
CCCNC(c1cc2c(s1)CCCCC2)COC	PC-id_105008790	267.43	IVUTWSDMPDRMRC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020229
CCCOCC(c1cc2c(s1)CCCCC2)NC	PC-id_105008525	267.43	LHVNEYKFKOYUGY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020230
CCOC(c1c(C)sc2c1CCCCC2)CNC	PC-id_142603331	267.43	HIGAQLKFFBULBT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020231
CCOCC(c1cc2c(s1)CCCCC2)NCC	PC-id_105007807	267.43	GYFUVCOKAASTAI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020232
CNC(c1cc2c(s1)CCCCC2)COC(C)C	PC-id_113671091	267.43	BFQCKDOKAQEWCD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020233
COCCCC(c1cc2c(s1)CCCCC2)NC	PC-id_105055018	267.43	OUERRMIEEZBCQL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020234
COCCC(C(c1cc2c(s1)CCCCC2)N)C	PC-id_113674247	267.43	HAUJVEZMKBODEK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020235
s1c(C(O)C(C(C)C)CN)cc2c1CCCCC2	PC-id_65185443	267.43	VDWOOYOWXYELQB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020236
s1c(C(O)C(CCC)CN)cc2c1CCCCC2	PC-id_79412860	267.43	VDHZCEFERIDFIG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020237
CC(C)(CS)c1nn2CCCCN(CCc2c1)C	PC-id_134355495,SCHEMBL19981906	267.433	KZVDOJINMKKRHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020238
c12SC/C(=N/O)/CSc1sc(=S)s2	CoCoCo_126048,EMOLS-id_1268524,BAS-00733185,PC-id_3117131,ZINC22_4492040,MCULE-8843478039	267.435	BLDUVAZGBWBJBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020239
S1CC(=CSc2sc(=S)sc12)NO	PC-id_1649809	267.435	PZWPFOJBLDUDOW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020240
CCC1=c2nc(sc2=C(CC(CC1)C)CC)S	PC-id_138653715,SCHEMBL21022422	267.453	MEFGWEQSDSBPGQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020241
S1SSSSc2c1c(n(c2)C)CC	PC-id_85929269	267.478	QPOBPCJFUAJEGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020242
S1SSSSc2c1n(C(C)C)cc2	PC-id_86011606	267.478	AZCFMEIXGYTQCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020243
S1SSSSc2c(n(c(c12)C)C)C	PC-id_86088094	267.478	QSYCZSGWAOLIBC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020244
C1CCCc2c(CC1)[nH]c(n2)C(Cl)(Cl)Cl	SCHEMBL20220763,PC-id_134570282	267.583	MFNPOFNYCOZMAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020245
ClC(C1CCCCCCc2n(cc1c2)B(O)C)C	PC-id_22081364	267.603	KFKJJNIRSUSJPQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020247
Cn1cnc2c1C(C=CN=C(C2)Cl)C(=O)OCC	PC-id_143405138	267.711	PQEFTMGUYWRXBK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020248
NC(=O)c1c(=O)oc2-c1ccccc2Br	PC-id_121215828	268.064	KCHZLAYYWZYXOV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020249
Ic1cc2-c(c1C)ccccc2	SCHEMBL21172871,PC-id_139326127	268.094	UFCAKLWZLNGRCQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020250
Ic1ccc2-c1ccccc2C	PC-id_139618085	268.094	JBKAMQVBSVHXJC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020251
Ic1cccc2-c(c1C)ccc2	PC-id_139326126,SCHEMBL21172870	268.094	LGQQCRKVNLCVNC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020252
ICc1c2-c(ccc2)cccc1	PC-id_2763040	268.094	FGSKQLOAIUDGNE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020253
CC1=CC(=C2C=CC(=C2C(=C1)C)C(C(F)(F)F)O)C	PC-id_163812623	268.107	NOPLFWAZZKTNLM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020254
BrC#CC(=O)N1CCCc2c(C1)cn[nH]2	MCULE-8566518539	268.11	LPIVWUDDHOEFIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020255
CN(C(=O)OC(=O)N1CCCN2C(=CC=N2)C1)OC	PC-id_154465448	268.117	WFMOIJKBIBODKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020256
BrC(=C)Cn1cc2c(c1)CCCCC2=O	PC-id_83206257,EMOLS-id_107259259	268.15	ASILJXOPJGTBGX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020257
CC1=CN=C(c2c(cc(n2CC1)C)Br)N	PC-id_91544935	268.153	GZLVGXPMNOZQAR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020258
CC(=O)OC(C(F)(F)F)c1ccc2-c1ccccc2	PC-id_101472882	268.231	FTTUOQOSBWFPKO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020259
FC(F)(F)[C@@H](OC(=O)C)c1cc2-c(c1)ccccc2	PC-id_11437095	268.231	LERPTQOJDSYZIM-ZDUSSCGKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020260
FC(F)(F)C(=O)c1c2-c(cc1OCC)ccccc2	PC-id_10778287	268.231	NBWIZAYTUOSDHF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020261
FC(F)(F)C(OC(=O)C)c1cc2-c(c1)ccccc2	PC-id_72961250	268.231	LERPTQOJDSYZIM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020262
Fc1ccc(cc1)C(=O)c1c(=O)oc2-c1ccccc2	PC-id_139790792	268.239	APBDTSAIHLRDQR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-020263
O(c1c2-c(c(c([N+]#N)c2C#N)C(=O)O)cccc1)CC	PC-id_10423079	268.248	DAOZEOIZNUNVGX-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-020264
O(C(=O)c1c2-c(c(c1[N+]#N)C#N)c(O)cccc2)CC	PC-id_10355608	268.248	OXZAIUANMJNDMQ-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-020265
C1C=Cc2c(C(=O)CO1)c(co2)C(=O)c1ccccc1	PC-id_91381474	268.264	BHLSONHATZEYIK-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-020266
c12c(n(cn1)COCCCC(=O)O)NC=NCC2O	CHEMBL1206644,PC-id_10541489	268.269	MBGXSXWOCNCYTQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020267
CN1C(=O)C(CCn2c1cc(n2)CCO)OC(=O)N	PC-id_145225332	268.269	FIXQDHZXXLSMDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020268
O(c1n(c2c(N(C(=O)CN(C2=O)C)C)n1)C)CCO	PC-id_558299	268.269	CDUDXONAQZZAAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020269
O(Cn1c2C(O)CN=CNc2nc1)CCCC(=O)O	PC-id_10803413	268.269	GMQAEMSCVSILHZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020270
O=C(OC(C)(C)C)N[C@H]1COc2c(NC1=O)cn[nH]2	SCHEMBL18366003	268.269	UIBDNQKGCUMXFK-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020271
O=c1nc2-c(ccccc2)n1Cc1noc(C2CC2)n1	MCULE-6839136496,EMOLS-id_317016865,ZINC22_1615548299	268.271	CZHXCWXMXGHBCP-UHFFFAOYSA-N	00100010100000000111100000000010000000000000000000000000	31-01-020272
O=c1nc2-c(n1Cc1nnc(o1)C1CC1)ccccc2	MCULE-6003861903,EMOLS-id_319965991	268.271	CUXCSCZJOHWBEB-UHFFFAOYSA-N	00100010100000000111100000000010000000000000000000000000	31-01-020273
CC1C/C(=C(C(=O)OCC)/N)/N(c2c(N1)non2)N	PC-id_143009020	268.272	RSNGVEFQOQAECX-SREVYHEPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020274
Cc1cc(C)c2-c(c(c1)C)ccc2[C@H](C(F)(F)F)O	PC-id_102509621	268.274	NOPLFWAZZKTNLM-CQSZACIVSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020275
Cc1cc(C)c2-c(c(c1)C)ccc2[C@@H](C(F)(F)F)O	PC-id_102509622	268.274	NOPLFWAZZKTNLM-AWEZNQCLSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020276
F[C@@H]1COC[C@@H]1NC(=O)c1noc2c1CCCCC2	EMOLS-id_318777755	268.284	BJBOFFCBOABOCR-ZJUUUORDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-020277
O=S(=O)(c1cocc1)N1CCCn2c(C1)cnn2	MCULE-7379418514,EMOLS-id_319994728	268.292	DDZCJZFNVLVTLU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-020278
COC(=O)c1cc(c2-c1ccc(cc2)C(=C)C)C(=O)C	PC-id_101269895	268.307	XIUMPJADBUTHIQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020279
O(C(=O)/C(=C/c1c2-c(cc1)ccccc2)/C(=O)C)CC	PC-id_11346200	268.307	TWJODEPRVKLONO-LFIBNONCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020280
O(C(=O)C(=Cc1c2-c(cc1)ccccc2)C(=O)C)CC	PC-id_71376488	268.307	TWJODEPRVKLONO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020281
o1[nH]c(=O)c2c1C(CCN(C2)C(=O)OC(C)(C)C)C	SCHEMBL10458518,PC-id_10061566	268.309	IPBVLDGISIXWOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020282
O=C(OC(C)(C)C)NC1CCCCc2c1c(O)no2	MCULE-7530863638	268.309	PBYPNTUXPRNOIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020283
C1CCC(=O)c2c(C1)[nH]cc2N(C=O)c1ccccc1	PC-id_88138197,SCHEMBL7404319	268.31	UOWHLCWCIVMESW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020284
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCC=C2	SCHEMBL365701,PC-id_66667278	268.31	RCVFJJZGSURPPK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-020285
O=C1c2c([nH]cc2C(=O)Nc2ccccc2)CCCC1	PC-id_9816838,SCHEMBL7360053	268.31	PYYASPIHGYQLMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020286
O=C1c2n(Cc3ccccc3)cc(c2C(=O)NCC1)C	PC-id_59897839	268.31	QSCNNQRKXSLWNG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020287
CC(C)(C)OC(=O)N1CCc2nnc(CO)n2CC1	PC-id_71305785,ZINC22_91303664,EMOLS-id_32233860,MCULE-6339064199	268.312	HLQJVHQCQPXTAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020288
CC(C)(C)OC(=O)N1CCCn2nnc(CO)c2C1	EMOLS-id_32233856,PC-id_71305788,ZINC22_91303672,MCULE-6621909802	268.312	QCLNGWUNMVHGGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020289
CC(CNC(=O)Cn1nc2n(c1=O)CCCCC2)O	PC-id_110886642	268.312	PXYOIEKEGWGVPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020290
CN1C(=O)C(N)CCn2c1cc(n2)CCOCCO	SCHEMBL18373007	268.312	ZWWMMRSMADYJDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020291
COC1CN(CCc2c(C1OC)n(C)nn2)C(=O)C	SCHEMBL17326668,PC-id_118568948	268.312	GOWBNCGYEYKESK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020292
COC1C(OC)CN(CCc2c1nnn2C)C(=O)C	SCHEMBL17326669,PC-id_118568949	268.312	SRCPHANELMVMQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020293
COCCC(=O)NCC1COCc2c(C)nnn2C1	EMOLS-id_44332607	268.312	YWLGXRLAIHBZQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020294
COCCC(=O)NC[C@@H]1COCc2c(C)nnn2C1	ZINC22_96199359,PC-id_97469430	268.312	YWLGXRLAIHBZQD-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-020295
COCCC(=O)NC[C@H]1COCc2c(C)nnn2C1	ZINC22_96199360,PC-id_97469431	268.312	YWLGXRLAIHBZQD-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020296
O=c1n2CCCCCc2nn1CC(=O)NCCCO	PC-id_78854547	268.312	NCNZJAXIZTZUHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020297
OCc1nnc2n1CCCN(C2)C(=O)OC(C)(C)C	PC-id_71305787,EMOLS-id_32233891	268.312	BFFSLGFEWJRSSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020298
OCCN(C(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_110885954	268.312	GVILTPSPKUYVAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020299
OCC(NC(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_110887311	268.312	GGPWSSADQUCICN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020300
O(C(=O)N1CC(Cn2ncnc2C1)CO)C(C)(C)C	PC-id_71305784	268.312	FCDLULDRRVQYMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020301
O(C(=O)NC(c1n2CCCCCc2nn1)C)CCO	PC-id_79346432	268.312	BRKNZNSXSKHHMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020302
O(NO)CC1C(C(=O)NC(Cc2ncn(C1)c2)C)C	PC-id_20681300	268.312	XTDYOPKFTKNQAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020303
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C1COCCn2c1nnc2Cn1ccc2ccccc12	PC-id_136551595	268.314	WIMDUJLEUOZTMA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-020305
CC(n1ccc(n1)Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_319807765	268.314	RWDMGOUREFAMLJ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-020306
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O=c1nc2-c(n1CCCc1cncn1C)ccccc2	EMOLS-id_319041188	268.314	JTQMHDXUMYXTRY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-020311
c12CN(CCCn1nc(C#N)c2)Cc1cnc(cn1)C	MCULE-9420825287,ZINC22_1506427518,EMOLS-id_316275551	268.317	JXXLDTFGGOJIGG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-020312
c1(nnc2CCCCCn12)C(=Cc1cnn(C)c1)C#N	PC-id_52461015,MCULE-9906704948	268.317	RKZJTDKADAHVPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020313
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COC(=O)CC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_278735265	268.332	TUZJOTZLMKOFKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020327
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OC(=O)C(C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_122099615,EMOLS-id_72895119,MCULE-7434410890	268.332	GNZCQFUGNIBLAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020330
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N#C/C(=C/C1=C(C)CCc2c(C1=O)cc(s2)C#N)/C	PC-id_70319586,SCHEMBL8250590	268.334	QIDAXMRNWXJWPB-WEVVVXLNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-020332
s1c2CCC(=C(C(=O)c2cc1C#N)C=C(C)C#N)C	PC-id_77821337	268.334	QIDAXMRNWXJWPB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-020333
CCCCNc1nc2c(s1)C(=O)N(CC(=O)N2)C	PC-id_142739083	268.335	AQLDDSLXVFKMOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020334
CC(C)NC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625561	268.335	IIRYJFHBKSWIBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020335
CCCNC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625571	268.335	ZEXNIJDYVDCHIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020336
N#CCCCS(=O)(=O)c1nnc2n1CCCCC2	PC-id_75510273,MCULE-5874981060,EMOLS-id_49324565,ZINC22_97164093	268.335	XVKAAHSZWOEUEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020337
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c1ccc2c(c1)n(nn2)C[N@H+]1CCCn2c(C1)ccc2	GD-id_ZINC15779686	268.337	FEZOMEYYQNPVKF-UHFFFAOYSA-O	00000000100000100101000001000010000000000000000000000000	31-01-020338
s1c2CCCCCc2c(c1NC=C(C#N)C#N)C#N	PC-id_8198642	268.337	XIUXVQXQRPFEMK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020339
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CCC(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C=O	PC-id_102042037	268.35	MBCUARDOXNWSHW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020341
C=CCOC(=O)c1c2-c(c(c1C)C(C)C)ccccc2	SCHEMBL8849463,PC-id_67708677	268.35	AVOPNFISRVKJGJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020342
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OC(=O)C=Cc1c2-c(c(c1)CC)cccc(C(C)C)c2	PC-id_85570846	268.35	GVCFCXNQVXJNRA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020347
OC(=O)C=Cc1c2-c(c(CCCCC)c1)ccccc2	PC-id_85570839	268.35	QMAHTYKFVDXPII-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020348
C(c1c2-c(cc1)ccccc2)c1c2-c(cc1)ccccc2	PC-id_12484572	268.352	KGYFUYNJDCMBAO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020349
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O=C1CCCCc2c1cnn2CCCc1ccccc1	PC-id_107384233	268.354	OHKBGPVOWGNQTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020352
O(C(OC)CNC(c1n2CCCCCc2nn1)C)C	PC-id_63696537	268.355	FVZPEFFCLFYFHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020353
C/C(=Cc1ccccc1)/CN1CCc2nncn2CC1	PC-id_26350821,ZINC22_14995295,CoCoCo_1395127,CoCoCo_1395125,EMOLS-id_44853045	268.357	WQDYFVRBFVODKY-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020354
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[Si]1(OC(c2c([nH]nc2)C(=O)O1)C)(C(C)C)C(C)C	PC-id_11230972	268.384	SXJPJPPVVAAUJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020400
Cc1c2-c(c(ccc(c2)C(C)C)/C=C(/C)C(C)O)cc1	PC-id_134981848	268.393	DEUVVVJXDKFIDJ-UVTDQMKNSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020401
CCc1c2-c(c(c1C(C(C)(C)C)C)C=O)ccccc2	PC-id_145572860	268.393	KUEBMZDMPFGQAG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020402
CC(C(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C)C	PC-id_102042036	268.393	FHVQVRXRKHGQLW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020403
O=Cc1c2-c(cc1C(C)(C)C)ccc(cc2)C(C)(C)C	PC-id_101761613	268.393	ZGGJEVZUNGIWJS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020404
O=Cc1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2	PC-id_15641204	268.393	CBKWLJOBFWXEEM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020405
O=Cc1c(c2-c(c1C)cc(C(C)C)ccc2C)CCC	PC-id_12822782	268.393	DZCXFHKBXHTEAR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020406
O=Cc1cccc2-c(c1)c(cc2C(C)(C)C)C(C)(C)C	PC-id_102273039	268.393	POHYSPXTURZATL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020407
OC(C(=Cc1c2-c(cc(C(C)C)cc1)c(cc2)C)C)C	PC-id_86017834	268.393	DEUVVVJXDKFIDJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020409
Cn1cc(c2=C=CC=CC=c12)CNCC1CCCCC1	PC-id_142230248	268.397	YBEAVRKCNBKTSR-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-020410
n1(cc2C(N)CCCCc2c1)Cc1ccc(cc1)CC	PC-id_83207733	268.397	UFOHZROYBOKFBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020411
n1(cc2C(N)CCCCc2c1)Cc1cc(c(cc1)C)C	PC-id_83207853	268.397	QZYCQFWARZUENV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020412
n1(cc2C(N)CCCCc2c1)Cc1c(ccc(c1)C)C	PC-id_83207859	268.397	DXHKCESURRIZPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020413
n1(cc2C(N)CCCCc2c1)Cc1c(cccc1C)C	PC-id_83208158	268.397	CDQLTIDFUGFKRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020414
n1(cc2C(N)CCCCc2c1)Cc1cc(cc(c1)C)C	PC-id_83209161	268.397	IFBBQFWKHIMIJX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020415
n1(cc2C(N)CCCCc2c1)CCCc1ccccc1	PC-id_83207922	268.397	PXOVAEZEIQLTRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020416
n1(cc2C(NC)CCCCc2c1)Cc1ccc(cc1)C	PC-id_83208160	268.397	WAFPIOPHAIRZIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020417
n1(cc2C(NC)CCCCc2c1)Cc1c(cccc1)C	PC-id_83208329	268.397	OFJXBVYUXXQJHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020418
n1(cc2C(NC)CCCCc2c1)Cc1cc(ccc1)C	PC-id_83208986	268.397	XDHLSZSPOQODLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020419
n1(cc2C(NC)CCCCc2c1)CCc1ccccc1	PC-id_83208908	268.397	WTUMBUKSFRWUCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020420
n1(cc2C(NCC)CCCCc2c1)Cc1ccccc1	PC-id_83208673	268.397	WCZNKRIVBKEQTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020421
N(C(=N)c1c2-c(c(c1)C)cc(C(C)C)ccc2C)(C)C	PC-id_85710972	268.397	CCOOUCRQNSPPTF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020422
NC(=S)CNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_38081764,PC-id_61127097	268.398	ICLWGHTZEHIWBH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020423
CC(C1CC(Oc2c(O1)csc2)C(C)(C)C)(C)C	PC-id_89941112,SCHEMBL15437703	268.415	WUTOSSYFWVDAAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020424
CC(c1sc(c2c1OCC(CO2)(C)C)C(C)C)C	SCHEMBL18748376	268.415	IDLYMLRBRYKWKQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020425
CCCC1(CCC)COc2c(OC1)c(sc2C)C	SCHEMBL14750522,PC-id_71287979	268.415	GKYXKCVTRZZIHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020426
CCCCC1(CCCC)COc2c(OC1)csc2	PC-id_57797199,SCHEMBL4857662	268.415	GXYAIYZYGLBPSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020427
CCCCCCCCC1CCOc2c(O1)csc2	SCHEMBL4855145,PC-id_69218568	268.415	NUYMADFNYQOFGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020428
COCCC(C(c1cc2c(s1)CCCCC2)O)C	PC-id_115836175	268.415	HFONXWMODIENBC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020429
C[N+](=C(c1cc(c2-c1c(C)ccc(c2)C(C)C)C)C)C	PC-id_110174501	268.416	PIGUSANZIYDEDD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020430
CCCOCC(c1cc2c(s1)CCCCC2)NN	PC-id_105321351	268.418	CWVKQIRQEOXBPP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020431
COCCCC(c1cc2c(s1)CCCCC2)NN	PC-id_105342438	268.418	NXPAQCMMHJZHEF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020432
NNC(c1cc2c(s1)CCCCC2)COC(C)C	PC-id_105323647	268.418	XVZBOBAXQQEDTK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020433
CC(CCCCSc1nnc2n1CCCCC2)N	EMOLS-id_315274228,PC-id_64649314	268.421	TUBMVJVBEAYWHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020434
CCC(CCCSc1nnc2n1CCCCC2)N	PC-id_106808263	268.421	HMRLVCOTLZVROD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020435
CCCC(CSc1nnc2n1CCCCC2)NC	PC-id_64648334,EMOLS-id_314302364	268.421	XLMVFYOYBVNUKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020436
CCCCNCCSc1nnc2n1CCCCC2	PC-id_62579433,EMOLS-id_315022858	268.421	PSTLVQHLUFZDOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020437
CCCNCCCSc1nnc2n1CCCCC2	PC-id_61386452,EMOLS-id_314929670	268.421	PVQLLBVIAKPSJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020438
CCCNC(CSc1nnc2n1CCCCC2)C	EMOLS-id_314301852,PC-id_64650680	268.421	TVHJCSSUYPKLSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020439
CC(CNCCSc1nnc2n1CCCCC2)C	EMOLS-id_314917379,PC-id_62579438	268.421	CFNZYZJDTDIPJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020440
CCC(NCCSc1nnc2n1CCCCC2)C	PC-id_55092637,EMOLS-id_315251201	268.421	PMUBZTKWWBCORF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020441
CCCNCC(Sc1nnc2n1CCCCC2)C	PC-id_62576894,EMOLS-id_314218752	268.421	MSZOGJNMNVAOQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020442
CCN(CC)CCSc1nnc2n1CCCCC2	MCULE-8683953074,PC-id_86791769,ZINC22_97377187,EMOLS-id_49939404	268.421	VOBHTDOUAOFRPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020443
CCNCCCCSc1nnc2n1CCCCC2	PC-id_55091983,EMOLS-id_315251713	268.421	GQRWBABQNCWWMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020444
CC(NCCCSc1nnc2n1CCCCC2)C	EMOLS-id_314087934,PC-id_61386425	268.421	GIELOZZPJQXELN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020445
CCNCC(CSc1nnc2n1CCCCC2)C	EMOLS-id_314256882,PC-id_64231792	268.421	HBVHPGZGQJZDET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020446
CCNC(CCSc1nnc2n1CCCCC2)C	EMOLS-id_314298525,PC-id_64649510	268.421	IHEMNDRUAUKUEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020447
CC(NCCSc1nnc2n1CCCCC2)(C)C	EMOLS-id_314088190,PC-id_55071032	268.421	BNUPQAZCWGGBBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020448
CCNC(CSc1nnc2n1CCCCC2)CC	EMOLS-id_314585767,PC-id_64650482	268.421	XTLTXCUEYKNEFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020449
CC(NCC(Sc1nnc2n1CCCCC2)C)C	PC-id_55091930,EMOLS-id_314219264	268.421	ZETDIPFRACGQKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020450
CNC(C(C)C)CSc1nnc2n1CCCCC2	PC-id_80450965,EMOLS-id_315468484	268.421	TXKAQQCUQNXESR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020451
CNC(CCCSc1nnc2n1CCCCC2)C	EMOLS-id_314579918,PC-id_64650095	268.421	RXPBUDHFGWKVAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020452
CSCCCNC(c1nnc2n1CCCCC2)C	EMOLS-id_314086999,PC-id_43746916	268.421	PWEDYIKZHKHCBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020453
NCC(C(C)(C)C)Sc1nnc2n1CCCCC2	EMOLS-id_314866849,PC-id_61631850	268.421	IFQMFVBCMRRPGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020454
NC(C(C)(C)C)CSc1nnc2n1CCCCC2	PC-id_64649506,EMOLS-id_315194700	268.421	DKCZRQRZMUJQKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020455
NCC(CCSc1nnc2n1CCCCC2)(C)C	PC-id_65248539,EMOLS-id_314648378	268.421	ZIRBKQPYZQYFCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020456
S(C(CC(NC)C)C)c1n2CCCCCc2nn1	PC-id_64704834	268.421	ZKLMYQXYLJQEKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020457
S(C(C(NCC)C)C)c1n2CCCCCc2nn1	PC-id_64648140	268.421	FMGKRLVSFUUISY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020458
S(C(C(NC)CC)C)c1n2CCCCCc2nn1	PC-id_64649315	268.421	XSYIAFGKAJHJKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020459
S(CC(N)C(CC)C)c1n2CCCCCc2nn1	PC-id_80450991	268.421	LHCQGSLIGVOTHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020460
S=CNCC1(C)C=Cc2c(C=C1)sc(=S)[nH]2	PC-id_142897807	268.421	JTCQRNXWTOMUJD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020461
c1(c(CCCC)cc2-c1cccc(c2)C(C)C)CCC	PC-id_19815678	268.436	YJGRGMAHEJKKQE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020462
CCC(c1cc2-c(c1)ccc(cc2)C(C)(C)C)(CC)C	PC-id_144228336	268.436	SLYDETNPNSSGLW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020463
CCC(c1ccc2-c(cc1)cc(c2)C(CC)(C)C)(C)C	PC-id_144244062	268.436	GOFAXIDNTVKCPK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020464
C(CCCCCC)CCCc1c2-c(cc1)ccccc2	PC-id_71425242	268.436	PBZUDXGQAGCLJG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020465
s1c2CCCCCc2nc1[C@@H](N)CSCC=C	PC-id_83338699	268.441	CESLVEVURHZNNH-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-020466
S1SSSSc2nsc(c12)C#N	PC-id_12683699	268.446	HPQDBUZWHYZCRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020467
OCC1CSc2c(SC1)sc(=S)s2	PC-id_101097807	268.463	VPIRIPSBJWMXEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020468
S1CCOCCSc2sc(=S)sc12	PC-id_15044105	268.463	HESFUOGZWARVQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020469
S1CC(OC)CSc2sc(=S)sc12	PC-id_15322645	268.463	ZAMIUUMGCVVRFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020470
S1CCSc2sc(=O)sc2SCC1	PC-id_15787473	268.463	AHJYXFWWUIINNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020471
s1c(SC)c2CCCCCCCCCCc2c1	PC-id_23254578	268.481	XDTIIVKQQJFKGE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020472
ClC(Cl)(Cl)c1onc2CCCCCCc12	PC-id_86091423	268.567	BRAYINYRYDGGRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020473
ClCCCCn1c2c(C(=O)CCN(C2=O)C)cc1	SCHEMBL6982789,PC-id_10707051	268.739	BAKWLJXWYNVGNY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020474
ClCCCCn1c2c(C(=O)N(CCC2=O)C)cc1	SCHEMBL6998066,PC-id_15521712	268.739	BECGZANWIHNVRO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020475
ClCCCCn1cc2c(c1)C(=O)CCN(C2=O)C	PC-id_22011298,SCHEMBL6997957	268.739	HXBVIJLRGRFFLG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020476
ClCCCCN1CCC(=O)c2n(ccc2C1=O)C	PC-id_10612005,SCHEMBL6774144	268.739	RBKMHSRVGVRKTH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020477
ClCCCN1CCC(=O)c2c(C1=O)c(C)cn2C	SCHEMBL6651765,PC-id_12146432	268.739	AMVCIURXQWNJCC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020478
ClCCCN1CCC(=O)c2c(C1=O)ccn2CC	SCHEMBL6773167,PC-id_10730656	268.739	GJNSBXPCLQVVJH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020479
ClCCCN1CCC(=O)c2c(C1=O)n(CC)cc2	PC-id_20083197,SCHEMBL6994951	268.739	NBIYOQVWAHDQIV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020480
ClS(=O)(=O)c1c2-c(c(C(C)C)c1)ccccc2	PC-id_10015881	268.759	KUHLZPIWDZRRHL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020481
ClS(=O)(=O)c1c2-c(c(CCC)c1)ccccc2	PC-id_10423187	268.759	ZORORUSKDVQYSI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020482
c1(NC(=O)CCl)sc2c(CCCCC2)c1C#N	PC-id_3822593,PD159962,MCULE-4339287970,EMOLS-id_841929,SCHEMBL6246144,CoCoCo_3781438,TIMTEC283445	268.762	LFUMGIOQKSBEQA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020483
CC[C@@H]1CN(CCC2=C1C=C(S2)Cl)C(=O)C=C	PC-id_155141107	269.064	MPDUZPJGJROJQX-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020484
CCOC(=O)NC1=CCC(=Nn2c1nnc2C)Cl	PC-id_163838792	269.068	OKCFHGDBJRCUNQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020485
COc1cc(Br)cc2c(c1=O)oc(c2)C	PC-id_102239188	269.091	IPXGFUOHJMMCTB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-020486
Brc1c2nc([nH]c2cc(OC)c(=O)c1)C	PC-id_86160204	269.095	DXBNMRQWCVNKLL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020487
Clc1n2CCCCCc2nc1S(=O)(=O)Cl	PC-id_84712418	269.148	NPCGWUIPMREJBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020488
CC(C)(C)OC(=O)N1CC(CN2C(=NN=N2)C1)CO	PC-id_165367346	269.149	KHJJGEZCHKZCJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020489
[O-][N+](=O)c1cc(c2-c1ccccc2)C(=O)C(F)(F)F	PC-id_121008078	269.176	LYOYXIJNMRLWLF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020490
O=C1CCC(=O)Oc2n(O1)c(cn2)CC(C(=O)O)N	PC-id_140228226	269.211	IRTZFUMRTUUCJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020491
CCC1CN(CCn2cc(nc2O1)[N+](=O)[O-])C(=O)[O-]	SCHEMBL14966228,PC-id_89580496	269.234	XVASAFMPICBYRS-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-020492
Clc1c([Si](C)(C)C)c(Cl)c2-c1ccccc2	PC-id_12039470	269.242	JHUBQZQGHAMWEK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020493
Cn1c2c(CNCCS2(=O)=O)c(n1)C(F)(F)F	PC-id_136589833,EMOLS-id_316183667	269.244	PFJMPESHEGPPBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020494
C1CCCCc2c(/C=CCCC1)[se]nn2	PC-id_134897556	269.245	YVVAQXZCIRUZOU-NTMALXAHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020495
[se]1nnc2c1CCCCCCCCC=C2	PC-id_86009460	269.245	ZNPDLEPUHOIRSO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020496
O(c1c2-c(c(cc2C#N)C(=O)OC)cccc1)C(=O)C	PC-id_10061607	269.252	HWFGZKIWSZVROP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020497
O=C(n1c(=O)oc2c1C=CCC=C2)Oc1ccccc1	PC-id_144506243	269.252	YYBOPNVSJCHQPE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-020498
O(C(=O)c1c2-c(c(cc2)C#N)ccc(c1)C(=O)OC)C	PC-id_23257784	269.252	JLRWVOFJQQVSEF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020499
O(C(=O)c1cc2-c(cc(c1)C(=O)OC)ccc2C#N)C	PC-id_23257785	269.252	OFJWZIFZVGSACQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020500
O(C(=O)c1cc2-c(cc(c1)C(=O)OC)cc(c2)C#N)C	PC-id_86188254	269.252	NACYIABUQYAKMG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020501
O(C(=O)c1cc2-c(c(cc2)C#N)ccc1C(=O)OC)C	PC-id_23257783	269.252	PYEKFDIJJRTCDK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020502
o1nc2n(C(NC(=O)CCC(=O)O)CCCC2)c1=O	PC-id_22901410	269.254	ZBJQZGUMNKQLEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020503
O=C1Nc2nc[nH]c2C(=O)C=NN1Cc1ccccc1	PC-id_101704926	269.259	WTNBUVOAQNABQU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-020504
O=C1NN=CC(=O)c2c(N1)ncn2Cc1ccccc1	PC-id_101704925	269.259	JPLQDNBUYCPUPN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-020505
O=C(N1CCCc2c(C1)cco2)C1CCC(C1)(F)F	EMOLS-id_102573468	269.287	AITJTNOBOZFLOX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-020506
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(C)CC1(F)F	EMOLS-id_319218098	269.29	ZHEJMCPFJLQATO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-020507
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CC(C1)(F)F	EMOLS-id_319923236,MCULE-9759545808	269.29	NHLYBBIDZHZJPR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-020508
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@H]1C[C@@H]1C(F)F	EMOLS-id_319704024	269.29	KAEGCHPMMDHTGC-IVNRZZHDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-020509
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1[C@H](C1(F)F)C	EMOLS-id_319066203	269.29	WNVZOPMQEFOFOT-VOXUXLNDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-020510
O=C1C(C)CCn2c(N1C)cc(n2)CC1CC1(F)F	SCHEMBL19659469	269.29	JROSPNXXUGODBG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-020511
COC(=O)c1c2-c(c(c1O)C#N)cccc(c2)C(C)C	PC-id_102009222	269.295	WIMRWLXOJKKCLS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020512
o1nc2n(C(CCCC2)CNCC(C)C(=O)O)c1=O	PC-id_72611602	269.297	GYBIYUHVXYROAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020513
o1nc2n(C(CCCC2)CNC[C@H](C)C(=O)O)c1=O	PC-id_59974970	269.297	GYBIYUHVXYROAW-IENPIDJESA-N	00000000100000000101000000000010000000000000000000000000	31-01-020514
OC(Cn1nc2n(CCCCC2)c1=O)(C)C(=O)OC	PC-id_64471415	269.297	MVIGBHVGLARGNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020515
OC(=O)CCNCC1CCCCCc2n1c(=O)on2	PC-id_141976384	269.297	QVXLQEPWVGLSFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020516
C1CNC(=O)c2c(/C/1=N/OCc1ccccc1)cc[nH]2	PC-id_136217483	269.298	MTTKEWKWQYDZTL-QGOAFFKASA-N	00000000100000110100000000000010000000000000000000000000	31-01-020517
COc1ccc(cc1)Cn1cc2C(=O)C=CCNc2n1	PC-id_136378642,SCHEMBL367728	269.298	JBQHFDFAOPHKFA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-020518
COc1cccc(c1)COC1=c2cc[nH]c2=NC=NC1	PC-id_143082732	269.298	ZNQOIARWTAZKKU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-020519
N#Cc1c(NCC(=O)O)nc2-c1cc(ccc2)C(C)C	PC-id_10265075,SCHEMBL9155478	269.299	NEOPQFWZSQFUQB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020520
N#Cc1c(NCC(=O)O)nc2-c1cccc(c2)C(C)C	SCHEMBL9153551,PC-id_11777857	269.299	LKTBTKBOWWJJIH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020521
O=C1c2c([nH]cc2C(=O)Nc2cccnc2)CCCC1	SCHEMBL8038852,PC-id_18696540	269.299	RSBLDQVMYQFMDH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020522
O=C1c2c([nH]cc2C(=O)Nc2ccncc2)CCCC1	PC-id_18696557,SCHEMBL8049526	269.299	BFTBIEDBZIFLQA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020523
COCCNC(=O)N1CCc2nn(C)c(=O)n2CC1	MCULE-5204693359,PC-id_91910635,EMOLS-id_50586707	269.3	LDQZXGRBSYJVDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020524
c12cc(CN3CCCn4cncc4C3)ccc1non2	ZINC22_72134466,EMOLS-id_43081389,MCULE-6841404042,PC-id_56888022	269.302	KEIOVMKZRNKLLP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-020525
c1(nnc2CCCCCn12)C(=Cc1cnc(C)o1)C#N	MCULE-1267317797	269.302	RRTSIODQBOORTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020526
CC1C=C(c2c(C(=O)N1)[nH]cc2)NNc1ccccn1	PC-id_91298427	269.302	YNWSGVYWZNPFDA-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-020527
CC1CC(=NNc2ccccn2)c2c(C(=O)N1)[nH]cc2	PC-id_136602013	269.302	KHMBXKMRXAUELU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020528
CC1C/C(=NNc2ccccn2)/c2c(C(=O)N1)[nH]cc2	SCHEMBL13341125,PC-id_135538029	269.302	KHMBXKMRXAUELU-WOJGMQOQSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020529
CC1C/C(=N/Nc2ccccn2)/c2c(C(=O)N1)[nH]cc2	SCHEMBL3426138,PC-id_136383997	269.302	KHMBXKMRXAUELU-WQRHYEAKSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020530
CC1=Nc2c(NC(=O)C1)n(nn2)CCc1ccccc1	PC-id_135503549	269.302	IELIYOKFHJQDMW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-020531
C=C/C=C/1C(=C)N/C(=C(/CO)N)/Cc2n1cnc2C#N	PC-id_145214226	269.302	MYRYKKYGIAIGLI-GRDXPDJJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020532
CCCn1ncnc1Cn1c(=O)nc2-c1ccccc2	EMOLS-id_318831489	269.302	OBKTUXDVNCJTKB-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-020533
CCn1nc(c(n1)C)Cn1c(=O)nc2-c1ccccc2	MCULE-3531163355,EMOLS-id_319984786	269.302	YDSNYOPRQHCMAM-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-020534
CCn1nnc(c1Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_319808585	269.302	IFPGRZCXXCSURO-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-020535
CN=C1NCc2c(C(=O)N1)ncn2Cc1ccccc1	PC-id_135456699	269.302	GRCYRISMUWXNJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020536
n12CCN(CCc1n[nH]c2=O)Cc1cccc(c1)C#N	EMOLS-id_49731301,PC-id_91910598,MCULE-7122055802	269.302	AKUBCOUIAFOMII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020537
N#Cc1ccc(CN2CCc3n[nH]c(=O)n3CC2)cc1	PC-id_91922371,CHEMBL4566377	269.302	GEXIJCXMRXBCJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020538
N#Cc1cccn(c1=O)Cc1nnc2n1CCCCC2	EMOLS-id_111259735	269.302	GDKSZLWFWUKTLE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020539
N#Cc1ccc([nH]1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319179554	269.302	VJVVCMIJNJODIC-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-020540
N#Cc1c[nH]c(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319793038	269.302	RQPMCZMTTJQOEV-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-020541
N#C/C(=C/c1cnc(o1)C)/c1nnc2n1CCCCC2	PC-id_146025254	269.302	RRTSIODQBOORTO-XFFZJAGNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020542
O=C1N(c2n(nnc2N=C(C1)C)Cc1ccccc1)C	PC-id_10015901	269.302	KQSWNRSJHBAKRQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-020543
n1(c2c(nc1)C(N=C(N=C2N)N)N)Cc1ccccc1	PC-id_69552199,SCHEMBL5746239	269.305	KXCKRWAFSMEDLI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-020544
n1(c2=C(NC(=NC(=c2nc1)N)N)N)Cc1ccccc1	PC-id_54491379	269.305	FVOZDBKIANXODD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-020545
CCOC(=O)N1CCc2c(CC1)cc(s2)C(=O)O	SCHEMBL11180673,PC-id_13072041	269.317	MTKMUMWFQUEEMD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020546
CCOC(=O)N1CCCc2c(C1)cc(s2)C(=O)O	SCHEMBL11174437,PC-id_20481335	269.317	JUHVZNGBMBSSQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020547
COC(=O)C1CCCCc2c1c(C(=O)O)c(s2)N	PC-id_143679411	269.317	ROWKEIKHCCQUQN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020548
O=C1CCCc2c(N1CC(C(=O)O)(O)C)ccs2	PC-id_64470996,EMOLS-id_314960455	269.317	FRCHEQYZZATPFM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020549
O=C(C1CCS1(=O)=O)N1CCCc2c(C1)cco2	EMOLS-id_319738427	269.317	ODMBPRARZSHBDC-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-020550
OC(CN1C(=O)CCCc2c1ccs2)CC(=O)O	EMOLS-id_314978407,PC-id_82776008	269.317	XJBBTFUQYOOLSZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020551
OC(=O)CONC(=O)c1cc2c(s1)CCCCC2	PC-id_60668110,EMOLS-id_314637843	269.317	SGTMKIHFRSVYEE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020552
CCOCC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625314	269.32	HOWNDZGCVJCDHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020553
CNC1C(=O)N(CCc2c1scn2)CC(=O)OC	PC-id_23555099,SCHEMBL14171114	269.32	RIPMJIDRETVJEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020554
s1c2CCCC(=O)N(c2cc1)CCC(=O)ONN	PC-id_66339163	269.32	JBJPNSMSBPWBQZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020555
S1C[C@H](N)C(=O)N(n2c1ccc2)CC(=O)OCC	PC-id_10901641	269.32	AFPHHFIYGTWQSN-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020556
S1CC(N)C(=O)N(n2c1ccc2)CC(=O)OCC	PC-id_23252871	269.32	AFPHHFIYGTWQSN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020557
S=CN/C(=C/C)/c1c(O)n2n(c1=O)CCOCC2	PC-id_142986222	269.32	VVEYCGULQRWXLQ-KRXBUXKQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020558
S(c1n2CCCCCc2nn1)CC(=O)NC(=O)N	PC-id_7876975	269.323	KDVPCYCTZDGOET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020559
COCCOCCn1c(C)c2c(c1C)OCCCO2	PC-id_59273700,SCHEMBL13410125	269.337	KORUGMGDMNIVGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020560
COC(=O)c1cc(c2-c1ccccc2)CN1CCCC1	PC-id_101178023	269.338	OYVXQYQAFKRGNH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020561
O=C1c2c(CCCC1)cn(c2)Cc1ccc(OC)cc1	PC-id_83205870	269.338	WCROQGGYJKIOBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020562
O=C1c2c(CCCC1)cn(c2)Cc1cc(OC)ccc1	PC-id_83206533	269.338	YMBKOAJBSYGQSH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020563
O=C1c2c(CCCC1)cn(c2)Cc1c(OC)cccc1	PC-id_83206676	269.338	WFNXVMTWEVYGFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020564
O=C1c2c(CCCC1)cn(c2)CCOc1ccccc1	PC-id_83208001	269.338	IZYUYRFKVOCNGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020565
O=C1CCCCc2c1cn(c2)COCc1ccccc1	PC-id_102940063	269.338	WOFFSYRRRLQIFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020566
OCc1ccc(cc1)Cn1cc2c(c1)CCCCC2=O	PC-id_104017507	269.338	RHQUVCGAGFBBHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020567
O=C(N)c1c2-c(cc1CC(=O)C)cccc(C(C)C)c2	PC-id_85645035	269.338	QLODVNZDHZVZLG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020568
[O-][N+](=O)/C=C/c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_11054715	269.338	KWVHAVHMCGMCGT-BQYQJAHWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020569
[O-][N+](=O)C=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_71331619	269.338	KWVHAVHMCGMCGT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020570
c1ccc2-c(cc1)c(cc2)Nc1ccc2-c1ccccc2	PC-id_69819980,SCHEMBL6541890	269.34	YZGSECVAXJVRDP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020573
c1ccc2-c(c(c1)Nc1ccccc3-c1ccc3)ccc2	PC-id_140213890	269.34	YBSOHRHYOBJADL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020574
c1cc(Nc2cccc3-c(c2)ccc3)cc2-c(c1)ccc2	PC-id_140213892	269.34	AEAIOAOHUOYQCE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020575
O(C(OCC)Cn1nc2n(CCCCC2)c1=O)CC	PC-id_63630099	269.34	RRHSJYXBXUTVND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020576
c12cncn1CCCN(C(=O)Cc1ccccc1C)C2	PC-id_56889907,MCULE-6882834891,SCHEMBL16100518,EMOLS-id_43089181,ZINC22_72140079	269.342	GRYBCGUJCLKZQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020577
c12cnn(C)c1CCCN(C(=O)c1ccc(cc1)C)C2	MCULE-1669196653,ZINC22_72398445,PC-id_95857705,ART-15417158,EMOLS-id_43234757	269.342	QWDLCGHTWAAQMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020578
c12cnn(C)c1CCCN(C(=O)Cc1ccccc1)C2	ART-15417160,ZINC22_19289646,MCULE-8297760392,PC-id_92566457,EMOLS-id_43234759	269.342	SRVVFYLIBCDPLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020579
c12C(=O)NCCCc1[nH]c(Cc1ccc(cc1)CC)n2	EMOLS-id_48644012,ZINC22_95524451,PC-id_72917781,MCULE-7383679302	269.342	XMDYTWAUDQJSDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020580
c12C(=O)NCCCc1[nH]c(CCc1cccc(C)c1)n2	PC-id_72902975,MCULE-8344289468,ZINC22_95519795,EMOLS-id_48640040	269.342	UDBYQIFGACUYPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020581
c12C(=O)NCCCc1[nH]c(CCCc1ccccc1)n2	PC-id_72927483,EMOLS-id_48646590,ZINC22_95527477,MCULE-3912205842	269.342	VECYNYOPMAXVTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020582
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1ccccc1)n2	EMOLS-id_32382718,ZINC22_65384753,MCULE-1706654994,PC-id_50955820	269.342	YVHAHLDEKGLEDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020583
c1(C(=O)Nc2ccccc2)c2CCCCCCc2[nH]n1	ZINC22_85380557,MCULE-6800478941,PC-id_53017362,BDD-25691819,EMOLS-id_161503	269.342	SFJRMCILFDNSEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020584
Cc1ccccc1NC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_323256244,MCULE-4628322795	269.342	KGZMDDGZJVGWLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020585
Cc1ccc(CCn2cc3c(n2)CCCNC3=O)cc1	EMOLS-id_276241611,ZINC22_585140492,MCULE-1237738422	269.342	FVKGJCWHHOJKNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020586
Cc1cccc(NC(=O)c2n[nH]c3CCCCCc23)c1	EMOLS-id_323255475,MCULE-2564149093	269.342	FOVVLSFCUQJHBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020587
Cc1ccc(NC(=O)c2c3c(CCCCC3)[nH]n2)cc1	MCULE-3120107205,EMOLS-id_323254708	269.342	FHCXHTCLRNKVAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020588
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1C	EMOLS-id_318999781	269.342	NDIMIASVUOAKCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020589
C/C=CC(=C(/C=CC)O)\n1nc2c(n1)C=CC(C=C2)C	PC-id_142845568	269.342	KNMCCDGILNKSGD-RCLFFBIISA-N	00000000100000000111000000000010000000000000000000000000	31-01-020590
CC[C@H]1Cc2nc[nH]c2CC(=O)N1Cc1ccccc1	SCHEMBL18408062	269.342	PGRAJWLQDKFIJR-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020591
COc1ccc(cc1)/C=C/c1nnc2n1CCCCC2	PC-id_101335049	269.342	NKQPZIUASAFTRL-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020592
O=C1c2c(CCCC1)cn(Cc1n(C3CC3)cnc1)c2	PC-id_83206833	269.342	ACNUSKWLBYSMKC-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-020593
O=C(c1c2c(CCCCC2)[nH]n1)NCc1ccccc1	EMOLS-id_323251126,ZINC22_189651762,MCULE-5265146457	269.342	LRYILISLYUIXOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020594
O=C(N1CCCc2[nH]cnc2CC1)Cc1ccccc1	PC-id_20803058	269.342	BCQLDZWJTSZMHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020595
c1ccc2c(c1)CC(C2)NC1CCn2c(CC1)nnn2	EMOLS-id_102028244	269.345	VUFRGFCZNORJHV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-020596
CC(CONC(=O)c1cc2c(s1)CCCCC2)O	EMOLS-id_318852109	269.36	AINNXIUVAALLRS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020597
C[C@H]1CN(Cc2c(O1)c(C(C)C)c(s2)C)C(=O)O	PC-id_67959367,SCHEMBL9903724	269.36	GDGMGGLRPLQOSL-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020598
CCOC(=O)c1c(N)sc2c1CC(C)(C)OCC2	PC-id_59379346,SCHEMBL13154923	269.36	ARUXGEZIBYNYRW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020599
CCS(=O)(=O)CCn1cc2c(c1)CCCCC2=O	PC-id_83208003,EMOLS-id_315762838	269.36	ODHRLPZFDLKWMD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020600
O=C1CCCCc2c1cn(c2)CCCS(=O)(=O)C	EMOLS-id_315764371,PC-id_83206025	269.36	GAUIOGPNXBBULP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020601
OCC1(COC1)Cn1c(=O)sc2c1CCCCC2	PC-id_112290746	269.36	LAADDMJKDCGWQQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-020602
OCC(CNC(=O)c1cc2c(s1)CCCCC2)O	EMOLS-id_314651480,PC-id_66176030	269.36	HQRODZMZJZPTQR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020603
O=C(C(C(O)(C)C)O)N1CCCc2c(C1)ccs2	EMOLS-id_316703592	269.36	CLJLFAOEZGMYKM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020604
OC[C@@H](CNC(=O)c1cc2c(s1)CCCCC2)O	EMOLS-id_318802720	269.36	HQRODZMZJZPTQR-SNVBAGLBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020605
OCC(NC(=O)c1cc2c(s1)CCCCC2)CO	EMOLS-id_315320943,PC-id_65315455	269.36	KVEAHWVDETXMPO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020606
OC(=O)CCCn1c(=O)sc2c1CCCCCC2	EMOLS-id_314018047,PC-id_43286972	269.36	BQRRIXIXQVNFPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020607
s1c2CCCCCc2cc1C(=O)NOCCOC	PC-id_79675675	269.36	ISTOTULNCXEMJB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020608
s1c2c(OC(CN(C2)C(=O)O)C)c(C(C)C)c1C	PC-id_77438631	269.36	GDGMGGLRPLQOSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020609
s1c2C(O)CCN(Cc2cc1)C(=O)OC(C)(C)C	PC-id_71305763	269.36	BPVNLCTYZMCMDW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020610
s1c(C(O)(C(C)C)C)c(c2c1OCCNC2=O)C	PC-id_20676181	269.36	NPMNXKBFPQBFKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020611
Cc1cc2-c(ccccc2)c1C(c1nc(cs1)C)O	PC-id_86718316,SCHEMBL15675989	269.361	UWKWAIVZPDJCRY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-020612
Cc1ccccc1Cn1c(=O)sc2c1C=CC=CC2	PC-id_142172525	269.361	YIJOPJTWSXPLCZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-020613
CCc1ccc(cc1)Oc1nc2c(s1)CC=CC=C2	PC-id_142996987	269.361	RAPLLKRMIABTTE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-020614
c12N=C(O)CSC(C(C)C)c1c(nn2C(C)C)O	EMOLS-id_44209320,EMOLS-id_93423325,EMOLS-id_44237586,PC-id_60176290,MCULE-8390018218,STOCK7S-32894	269.363	OWRRYUBOEGFTKA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020615
CCCC(C(=O)O)Sc1nnc2n1CCCCC2	PC-id_83038460,EMOLS-id_315078338	269.363	JKTQJOAGGAROOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020616
CC(C)[C@H]1SCC(=Nc2c1c(O)nn2C(C)C)O	PC-id_96557515,ZINC22_79483370	269.363	OWRRYUBOEGFTKA-SNVBAGLBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020617
CC(C)[C@@H]1SCC(=Nc2c1c(O)nn2C(C)C)O	ZINC22_79483374,PC-id_96557516	269.363	OWRRYUBOEGFTKA-JTQLQIEISA-N	00000000100000000111000000000010000000000000000000000000	31-01-020618
CC(C)(C)OC(=O)N1CCc2nc(N)sc2CC1	PC-id_84712457,SCHEMBL15001583,MCULE-2763734855,EMOLS-id_49829506	269.363	CIEFBAXZZCPNLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020619
CC(C)(C)OC(=O)N1CCCc2nc(N)sc2C1	EMOLS-id_259718037,MCULE-6494145869	269.363	WYLSTEDECFYPRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020620
CC(C(C(=O)O)Sc1nnc2n1CCCCC2)C	PC-id_18072775,EMOLS-id_314002153	269.363	LOPZSIJZWIWKLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020621
CC=CCS(=O)(=O)Cc1nnc2n1CCCCC2	MCULE-6191558996,EMOLS-id_316186653	269.363	RPTIAKNZRMYBRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020622
C/C=C/CS(=O)(=O)Cc1nnc2n1CCCCC2	ZINC22_278827402	269.363	RPTIAKNZRMYBRH-NSCUHMNNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020623
CC(=C)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950827	269.363	BLVFKTDSNURUSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020624
C=CCCS(=O)(=O)N1CCCc2c(cnn2C)C1	MCULE-6242290714,ZINC22_333141225,EMOLS-id_101948655	269.363	DATQCDODPBJFBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020625
CC(=C)CS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319350739	269.363	PACZPKZQMMYLGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020626
C=CCCS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319421096	269.363	FWLWUZFAOZQVKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020627
CCCN1CCc2c(CC1)cc(s2)OC(=O)NN	PC-id_70464318,SCHEMBL10880234	269.363	OPBCKORYPXQBFE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020628
CCC(Sc1nnc2n1CCCCC2)CC(=O)O	EMOLS-id_314582461,PC-id_63098231	269.363	GAOSSIXSXJCWRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020629
COCC(C(=O)Nc1nc2c(s1)CCCCC2)N	PC-id_120984604,MCULE-6288215205,EMOLS-id_303037756	269.363	QUZFBGRPVSQYIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020630
NC1(CC1)CCc1cn2c(n1)S(=O)(=O)CCCC2	PC-id_105518052	269.363	UTMCPXWAHTVHOS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-020631
NC1(CC1)CCc1nn2c(c1)S(=O)(=O)CCCC2	PC-id_105518051	269.363	RKIVZOGJLPAWCJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-020632
NNC(=O)Oc1cc2c(s1)CCN(CC2)C(C)C	PC-id_70555998,SCHEMBL11292607	269.363	USEGZMHQLGXPFG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020633
OCC1(COC1)CSc1nnc2n1CCCCC2	PC-id_112232074	269.363	GEALBMQXINWPJJ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-020634
OC(=O)CCCCSc1nnc2n1CCCCC2	EMOLS-id_315176293,PC-id_28971683	269.363	OHBYUFXWCNEGKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020635
OC(=O)CCC(Sc1nnc2n1CCCCC2)C	PC-id_62213800,EMOLS-id_314165424	269.363	CJTAODBFYNEDPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020636
OC(=O)C(CSc1nnc2n1CCCCC2)(C)C	PC-id_79623234,EMOLS-id_314359991	269.363	MDNPGTABSXYDPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020637
O=S1(=O)CCc2nnc(CC3CCCC3)n2CC1	MCULE-4431619293,ZINC22_630951962,EMOLS-id_316952395,PC-id_136557100	269.363	SBWANUKZNQRDMA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-020638
O=S(=O)(Cc1nnc2n1CCCCC2)CC1CC1	EMOLS-id_99699773	269.363	KEHSBNAFGVDIPH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-020639
S(c1n2CCCCCc2nn1)CCCC(=O)OC	PC-id_43378282	269.363	OXHKHCCHMPZZGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020640
S(c1n2CCCCCc2nn1)CC(C)C(=O)OC	PC-id_43400761	269.363	VPSBDKXPYWIGTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020641
S(c1n2CCCCCc2nn1)CCC(=O)OCC	PC-id_43242898	269.363	RWZPCDKEGNXKDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020642
S(c1n2CCCCCc2nn1)C(CC(=O)OC)C	PC-id_43536309	269.363	QEHUPABSAJFZHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020643
S(c1n2CCCCCc2nn1)C(C)C(=O)OCC	PC-id_61722939	269.363	JOKRGKUYHGLXKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020644
S(c1n2CCCCCc2nn1)CC(=O)OC(C)C	PC-id_47096079	269.363	KKAQPVGSSUPEFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020645
S(C(C(C)C(=O)O)C)c1n2CCCCCc2nn1	PC-id_79392000	269.363	ZBZYAQYYFIIZJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020646
CNC(C(=O)N)CSc1nnc2n1CCCCC2	PC-id_61933184,EMOLS-id_314537176	269.366	NUYKJFDEXMLWGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020647
NC(C(=O)N)CCSc1nnc2n1CCCCC2	PC-id_63033965,EMOLS-id_314219636	269.366	GBZDIFCNWNBFAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020648
NC(=O)C(CSc1nnc2n1CCCCC2)(N)C	PC-id_61932976,EMOLS-id_314166897	269.366	ZXMHLIGJEKUAGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020649
NNC(=O)CCCSc1nnc2n1CCCCC2	PC-id_63581346,EMOLS-id_314188283	269.366	RWEWSTCZGGBGEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020650
NNC(=O)C(CSc1nnc2n1CCCCC2)C	EMOLS-id_314607257,PC-id_63582092	269.366	VBOIDCIGYVCILH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020651
NNC(=O)CC(Sc1nnc2n1CCCCC2)C	PC-id_63582091,EMOLS-id_314940286	269.366	DTCABACTUGOSOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020652
S(c1n2CCCCCc2nn1)CCC/C(=N/O)/N	PC-id_43187767	269.366	FLXSPJKNBXREFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020653
S(c1n2CCCCCc2nn1)CC(C)/C(=N/O)/N	PC-id_43369015	269.366	ZSAHMZJFUZTQIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020654
S(c1n2CCCCCc2nn1)C(CC)/C(=N/O)/N	PC-id_61698088	269.366	NOEOCOBQMDPTBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020655
S(c1n2CCCCCc2nn1)C(CC)C(=O)NN	PC-id_63581159	269.366	OMWHDHBVJOMSDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020656
S(c1n2CCCCCc2nn1)C(C/C(=N/O)/N)C	PC-id_54945046	269.366	ZZROYHHLQCTLFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020657
OC1c2c(CCCC1)cn(c2)Cc1cc(c(cc1)C)C	PC-id_83208154	269.381	LGEGEIUHFLHLNO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020658
OC1c2c(CCCC1)cn(c2)Cc1cc(cc(c1)C)C	PC-id_83208171	269.381	ZXTJUTODOIKBDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020659
OC1c2c(CCCC1)cn(c2)Cc1c(cccc1C)C	PC-id_83208323	269.381	AULPTAMOUAYTHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020660
OC1c2c(CCCC1)cn(c2)Cc1c(ccc(c1)C)C	PC-id_83208902	269.381	AQMDWOMFHREUEQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020661
OC1c2c(CCCC1)cn(c2)Cc1ccc(cc1)CC	PC-id_83209077	269.381	OFXTVBRBJGZITH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020662
OC1c2c(CCCC1)cn(c2)CCCc1ccccc1	PC-id_83207955	269.381	RPOQADCGGCKMDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020663
O(c1c(NC2CCCCC2)c2-c(c1)ccccc2)CC	PC-id_15744093	269.381	BRJBGBDAFXDHDH-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-020664
O=C(N(c1c2-c(c(c1)C)cc(C(C)C)ccc2C)C)C	PC-id_86108599	269.381	QVJYSVRHRSFRMW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020665
c12CN(CCCn1cnc2)CCC(C)c1ccccc1	PC-id_56891219,EMOLS-id_43094585,MCULE-3821807734	269.385	HNTCWAOUWAITFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020666
CCC1CCc2nnc(CCc3ccccc3)n2CC1	MCULE-6851047842,EMOLS-id_317867449	269.385	SYZNRWORJJPTIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020667
CC(c1nnc2n1CCCCCC2)(c1ccccc1)C	SCHEMBL4539384,PC-id_10038735	269.385	FIVMIEUFOIJKOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020668
CC(C)(c1n[nH]c2CCCCCc12)c1cccc(N)c1	EMOLS-id_337935129	269.385	WFBRTVWZDFFLCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020669
CC(C)(c1n[nH]c2CCCCCc12)c1ccc(N)cc1	EMOLS-id_337933338	269.385	OPTZRMRPVGCJNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020670
CC[C@H]1Cc2nc([nH]c2CCN1Cc1ccccc1)C	SCHEMBL18408250	269.385	JDAHRMFSGCJXNM-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020671
CC[C@H]1CCc2nnc(CCc3ccccc3)n2CC1	ZINC22_1772811336	269.385	SYZNRWORJJPTIE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020672
CC[C@@H]1CCc2nnc(CCc3ccccc3)n2CC1	ZINC22_1772811338	269.385	SYZNRWORJJPTIE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020673
CC[C@H](c1nnc2n1CCCCCC2)c1ccccc1	SCHEMBL14587256,PC-id_10107132	269.385	MOLXVAGRBWDAFN-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020674
CC[C@@H](c1nnc2n1CCCCCC2)c1ccccc1	SCHEMBL14587260,PC-id_9970318	269.385	MOLXVAGRBWDAFN-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020675
C[C@@H](CCN1CCCn2cncc2C1)c1ccccc1	PC-id_95714252,ZINC22_72143773	269.385	HNTCWAOUWAITFS-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020676
C[C@H](CCN1CCCn2cncc2C1)c1ccccc1	PC-id_95714253,ZINC22_72143774	269.385	HNTCWAOUWAITFS-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020677
CCNC1CCCCc2c1cnn2Cc1ccccc1	PC-id_107384269	269.385	RYLJFFDIGPTIBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020678
CNC1CCCCc2c1cn(c2)Cc1cncc(c1)C	PC-id_102878059	269.385	BADPSSFZDSYHJV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020679
CNC1CCCCc2c1cn(c2)Cc1ncccc1C	PC-id_115982278	269.385	VDMCKROLVWPEKW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020680
CNC1CCCCc2c1cnn2Cc1ccc(cc1)C	PC-id_107384355	269.385	XQYHPLIKJNCJTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020681
CNC1CCCCc2c1cnn2Cc1ccccc1C	PC-id_107384461	269.385	MHVSCYGMPTYJIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020682
CNC1CCCCc2c1cnn2Cc1cccc(c1)C	PC-id_107384464	269.385	AZWPOOAVRGJBLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020683
n12CCCCCCc1nnc2C(CC)c1ccccc1	PC-id_20724873	269.385	MOLXVAGRBWDAFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020684
n1(cc2C(NC)CCCCc2c1)Cc1nc(ccc1)C	PC-id_83209172	269.385	OHAWTDOVYAWWFD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020685
n1(cc2C(NC)CCCCc2c1)CCc1cccnc1	PC-id_83208896	269.385	GRWDAHDLEHLSSX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020686
n1(cc2C(NC)CCCCc2c1)CCc1ccncc1	PC-id_83207779	269.385	SPYVOZPFVARHSD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020687
n1(cc2C(NC)CCCCc2c1)CCc1ncccc1	PC-id_83209174	269.385	ZAFUBZMDUBSGMV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020688
n1(cc2C(NCC)CCCCc2c1)Cc1cccnc1	PC-id_83212753	269.385	DAWJQXPYIRESSG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020689
n1(cc2C(NCC)CCCCc2c1)Cc1ccncc1	PC-id_83208749	269.385	WQOCSPDSGNTMLN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020690
n1(cc2C(NCC)CCCCc2c1)Cc1ncccc1	PC-id_83212670	269.385	WRNHJAXBEPPDPU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020691
NC1CCCCc2c1cnn2CCCc1ccccc1	PC-id_107384459	269.385	RDPVKZOOFMWPMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020692
CCSC(=O)Nc1nc2c(s1)C(=N)CCCC2	PC-id_136508537	269.386	UZXPOKMVEYMSGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020693
s1c2CCCCCc2cc1C(=O)NNC(=S)N	PC-id_65216693	269.386	CMDMOANBOYFFHH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020694
S=c1n(C[NH+]2CCOCC2)nc2n1CCCCC2	GD-id_ZINC04619022,PC-id_7304145	269.386	BYSDBDWTRVKFGT-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-020695
CCC(CSc1nnc2n1CCCCC2)(CC)O	PC-id_109985121	269.406	DNIVYAFREYGWLF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020696
CC(C(CSc1nnc2n1CCCCC2)(O)C)C	PC-id_114398881	269.406	XMYSGDIOYMFDAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020697
CSCCCN1CCCn2nc(cc2C1)C(C)O	EMOLS-id_50549135,MCULE-8178121654,PC-id_90653675	269.406	ZWRWQZXEZRJPDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020698
CSCCCN1CCCn2nc([C@H](C)O)cc2C1	ZINC22_221419281,PC-id_100067871	269.406	ZWRWQZXEZRJPDV-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-020699
CSCCCN1CCCn2nc([C@@H](C)O)cc2C1	ZINC22_221419332,PC-id_100067872	269.406	ZWRWQZXEZRJPDV-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020700
OCCCCCCSc1nnc2n1CCCCC2	PC-id_103735028	269.406	DTWYPSWHHSLJAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020701
CCc1c(/C=CC=C(C)C)[nH]c2=CCCC(C=c12)(C)C	PC-id_145018167	269.424	YRCCOXPWAZVQHZ-YFHOEESVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-020702
C=C/C=c
/[nH]c2c(/c1=C/C=C)CCCC(CC2(C)C)C	PC-id_139452804,SCHEMBL21316864	269.424	FIJLJJRXPSJEHP-NQZUYODNSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020703
NCCCCCc1c2-c(cc(C(C)C)cc1)c(cc2)C	PC-id_85664765	269.424	YWDFTUFYDNIPML-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020704
CCSc1c(c2c(s1)CCN(CC2C)C=O)C	PC-id_88975021,SCHEMBL12886565	269.426	XXBFZIFLXZHBCJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020705
S1CCC(CN(C)C)C(=O)c2c1sc(c2)CC	PC-id_10516142	269.426	LSNOAGQLXDZQBB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020706
S(CC1(CC1)CS)c1n2CCCCCc2nn1	EMOLS-id_315446084,PC-id_80041310	269.429	CPKAHYSBHMZYSP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-020707
Brc1ccc2-c(c(c(Cl)c2C)C)cc1	PC-id_59096318	269.565	XFHAPVYNDZZQPU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020708
Clc1ccc(cc1)/C=C/1Cn2cccc2C=CC1=O	PC-id_101582944	269.726	POTMXYDAJCJSBI-JLHYYAGUSA-N	00000000100000110110000000000010000000000000000000000000	31-01-020709
ClCCCCn1c2c(/C(=N/O)/CCNC2=O)cc1	PC-id_10707122	269.727	HXMYHBYOQASUPV-XNTDXEJSSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020710
ClCCCCn1c2c(C(=NO)CCNC2=O)cc1	SCHEMBL9040387,PC-id_85240010	269.727	HXMYHBYOQASUPV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020711
ClCCCn1c2c(/C(=N/O)/CCN(C2=O)C)cc1	PC-id_10588073	269.727	YMHGGPZHHPVHKR-GXDHUFHOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020712
ClCCCn1c2c(C(=NO)CCN(C2=O)C)cc1	SCHEMBL9039276,PC-id_85196354	269.727	YMHGGPZHHPVHKR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020713
ClCCCN1CC/C(=N/O)/c2c(C1=O)n(C)cc2	PC-id_20083212,SCHEMBL6997468	269.727	BMMNPCNLPAZNHS-UVTDQMKNSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020714
ClCCCN1CCC(N=O)c2c(n(cc2)C)C1=O	PC-id_54208552	269.727	PUGYXIJSBQWHNE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020715
ClCCCN1CCC(=NO)c2c(n(cc2)C)C1=O	PC-id_73658803	269.727	BMMNPCNLPAZNHS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020716
ClC1=CCC=C(C=C1)Cn1ccc2c1CC=CC=C2	PC-id_142219575	269.769	IGYSOUASLZNIPP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-020717
ClC(=C)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_115636529	269.79	KDYZXTMDSGMSEP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020718
C1C(OC(=O)C2=C(C(=O)OOC1=O)OC=C2)C(=O)O	PC-id_165175698	270.001	HBNIYQXATLNFPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020719
COC(=O)C1=C2C(=C(S1)C(=O)OC)OC=CCO2	PC-id_160567357	270.02	RACFJBSUTDBPJT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020720
C1CO/C(=NN=N/N)/C(=P)C2=C1NC(=C2N)P	PC-id_161333089	270.055	VLRGGHAQNUKHLF-GHXNOFRVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020721
Ic1c2-c(c(O)cc2)cccc1	PC-id_86019065	270.066	PLHKVTMDHRJUIW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020722
Nc1nc2-c(c1I)ccccc2	PC-id_101208351	270.07	OPATUEXTWWCGQN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020723
CC(C)(C1CCC2=C(NC=C2SN1)C(=O)OC)O	PC-id_154021890	270.104	LVQVYNHNJQSVJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020724
CCC([C@@H]1CN2C(=NC(=C2CCO1)C(=O)OC)C)F	PC-id_162230934	270.138	ZVKMOFLCXMNFOZ-UMJHXOGRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020725
CC(C)(C)[Si](C)(C)C1=CC2=CC=CC=CC2=C1C=O	PC-id_154440333	270.144	DBSJZPGICMSFPA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020726
BrC(=C)Cn1cc2c(c1)CCCCC2O	EMOLS-id_313664201,PC-id_83207784	270.166	OKIVRZRNNYQYQW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020727
CN1C2=C(CN(CCC2)CC3=CC=CN3C4CC4)C=N1	PC-id_154796347	270.184	WBMFCQUZODKXLX-UHFFFAOYSA-N	00100000110000000101100000000010000000000000000000000000	31-01-020728
CCC1CN(CCn2cc(nc2O1)[N+](=O)[O-])C(=O)O	PC-id_89580497	270.242	XVASAFMPICBYRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020729
CCOC(=O)N1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14966116,PC-id_89580413	270.242	NLKLGBOGPLWNQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020730
O1C(CN(c2n(C1CO)cnc2C(=O)N)C=O)CO	PC-id_72780629	270.242	OYFARFFPMCSSDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020731
O1[C@H](CN(c2n([C@H]1CO)cnc2C(=O)N)C=O)CO	PC-id_11277231	270.242	OYFARFFPMCSSDG-RNFRBKRXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020732
FCC(C(=O)O)NC(=O)c1noc2c1CCCCC2	PC-id_121945193	270.257	OVBRZUJHUGDIRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020733
F[C@@H]1CN(C[C@@H]1F)C(=O)c1noc2c1CCCCC2	EMOLS-id_102811036	270.275	URDORLPBFWFNHH-AOOOYVTPSA-N	00000010100000000101000000000010000000000000000000000000	31-01-020734
O=C(c1noc2c1CCCCC2)N1CCC(C1)(F)F	EMOLS-id_102413827	270.275	RMAALLIZNTWSEM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-020735
O=C1C(N)CCn2c(N1C)cc(n2)CC1CC1(F)F	SCHEMBL18365893	270.278	MKJTYCLVDFDHFP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-020736
COC(=O)c1cc(c2-c1ccc(cc2)C(=O)C)C(=O)C	PC-id_101269897	270.28	PCVVAYIQMMFHPY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020737
COC(=O)/C=C(c1ccc2-c1ccccc2)/C(=O)OC	PC-id_100953698	270.28	BJURABVOGFWVQF-GXDHUFHOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020738
O(c1c2-c(c(cccc2)/C=C/C(=O)OC)cc1)C(=O)C	PC-id_11254229	270.28	PMYVBCXUGGCKIQ-JXMROGBWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020739
O(c1c2-c(c(cccc2)C=CC(=O)OC)cc1)C(=O)C	PC-id_72770986	270.28	PMYVBCXUGGCKIQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020740
O(C(=O)C(=CC(=O)OC)c1c2-c(cc1)ccccc2)C	PC-id_85855694	270.28	BJURABVOGFWVQF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020741
O(CC1n2c(noc2=O)CCCC1)CC(C)C(=O)O	PC-id_22901405	270.282	PXDFDBGGYWZAKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020742
O(CC1n2c(noc2=O)CCCC1)C[C@H](C)C(=O)O	PC-id_59923008	270.282	PXDFDBGGYWZAKG-IENPIDJESA-N	00000000100000000101000000000010000000000000000000000000	31-01-020743
COc1ccc(cc1)Cn1nc2c(c1)C(=O)C=CCO2	PC-id_66666978,SCHEMBL365091	270.283	AHLNJNZSDUDIIF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-020744
O(c1c2-c(c(c(N)c2C#N)C(=O)OC)cccc1)CC	PC-id_10061665	270.283	USUASPUWNTUVOX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020745
O(c1c2-c(c(c(N)c2C#N)C(=O)OCC)cccc1)C	PC-id_10107156	270.283	QIOXMWNFYJBTRG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020746
O=C(C1CC1)NNOC(=O)c1ccc2-c1ccccc2	SCHEMBL5068217,PC-id_69300047	270.283	PTHJSFKUQCDCBW-UHFFFAOYSA-N	00100010100000000110000000000010000000000000000000000000	31-01-020747
CO[C@@H]([C@H](Cn1cnc2c1NC=NC[C@H]2O)O)CO	PC-id_144781305	270.285	WVJQCCMVDCKSJF-HRDYMLBCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020748
CC(c1nnc(o1)Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_318820225	270.287	ZTWDUEPICYWCNQ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-020749
CC(c1noc(n1)Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_319015924	270.287	DMXPQUXHCZAZFZ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-020750
CC(c1onc(n1)Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_318855861	270.287	STPFDJHMVGAZBI-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-020751
CCCc1onc(n1)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_318922691	270.287	NJWLJUTYNGEEGC-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-020752
N#Cc1nn(c2c1CCCN(C2)C(=O)c1ccco1)C	PC-id_97515462	270.287	LXSXCBNNJAXECZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-020753
N#Cc1occ(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319669712	270.287	SIYILLGZADSHHE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-020754
O=C1N(CC(=O)Nc2n(Cc3ccccc3)cnc12)C	PC-id_14914651	270.287	VBTUQRYGODAEEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020755
N#Cc1cn[nH]c1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319432196	270.29	BWEAAJXOUFOOKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020756
N#Cc1nn(c2c1CCCN(C2)C(=O)c1cnc[nH]1)C	PC-id_97410065	270.29	IJGZIYSVWCFJRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020757
N#Cc1c(NC(=O)C(F)F)sc2c1CCCCC2	PC-id_103515376	270.298	FGNDFICWDCCOLF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020758
C1C(COc2cscc2O1)(CCC=O)COC=O	PC-id_89152281,SCHEMBL13708438	270.302	LFJHFOINAXPNOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020759
CCOC(=O)N1CC(=O)N(c2c(C1)ccs2)OC	PC-id_101261062	270.305	ZTMPMJVXBTWPOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020760
CCOC(=O)N1CC(=O)N(c2c(C1)scc2)OC	PC-id_101261060	270.305	UVAVXMJWFUTDQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020761
COC(=O)c1n(C)cc2c1C=CC(NS2(=O)=O)C	SCHEMBL21327934,PC-id_139462798	270.305	HHZGMUNSXCRRKQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020762
COC(=O)c1n(C)cc2c1C=CN(CS2(=O)=O)C	SCHEMBL21327936,PC-id_139462800	270.305	MXPZRADWQMVUEP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020763
c1(C(=O)C(=O)OCC)ccc2-c1c(cc(cc2C)C)C	ZINC22_239562972,SPECS-id_AO-840/42717701,MCULE-4764333325,PC-id_91824557,EMOLS-id_194769422	270.323	NVZSJNLZCOHECQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020764
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)C(=O)C	PC-id_101269894	270.323	PDFJLXBSNCFGRU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020765
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C(=O)C	PC-id_13669811,SCHEMBL10824451	270.323	KRSQRLFKVZGQPY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020766
O(C(=O)c1c2-c(ccc(C(C)(C)C)cc2)c(c1)C=O)C	PC-id_15440525	270.323	FGABRLSMBYOSIB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020767
c1(C(=O)c2ccc(cc2)C)n(O)c2c(CCCCC2)n1	PC-id_755652,EMOLS-id_2255909,ZINC22_210500,GD-id_ZINC00210500,CoCoCo_786800,MCULE-1877778165,Chemmine_10233	270.326	YDVDIQAYFJPJFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020768
c1(C(=O)Nc2ccc(cc2)C)c2CCCCCc2on1	BindingDB-id_92349,EMOLS-id_6688175,CHEMBL1495119,PC-id_3243693,ChEMBL-DNDi_CHEMBL1495119,BindingDB_PC-id_3243693,MCULE-2914941698,ChEMBL-DNDi_CHEMBLC226-3508	270.326	PELRDEHUTROUKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020769
c1(C(=O)Nc2ccccc2C)c2CCCCCc2on1	PC-id_17254379,ZINC22_20418861,MCULE-4274972214,TIMTEC409208,EMOLS-id_21980685	270.326	QQFAOAUYOGLPLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020770
c1(C(=O)NCc2ccccc2)c2CCCCCc2on1	MCULE-9101450412,ChEMBL-DNDi_CHEMBL1414737,TIMTEC431415,EMOLS-id_6686910,CHEMBL1414737,PC-id_3242747,ZINC22_426547	270.326	RPDOWDKUVZFMTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020771
CCc1cnccc1C(=O)N1CCCc2occc2C1	ZINC22_377510757,MCULE-6884615943,EMOLS-id_177263631	270.326	ZWMUAULZKWRPCS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020772
CNC1C(=O)N(CCc2c1occ2)Cc1ccccc1	PC-id_23554834,SCHEMBL14172420	270.326	QSEABNJJSLBLLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020773
CN(C)C(=O)c1cc(C(=O)N(C)C)cc2-c(ccc2)c1	LI_193307,PC-id_341997,NSC376741,ZINC22_1590239,CoCoCo_5632868	270.326	NZLBEYVOASTDPU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020774
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCCC2	PC-id_53388364,SCHEMBL6837301	270.326	DOPLHSDNRHJWMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020775
O=C1c2c(CCCC1)cn(c2)Cc1c(OC)nccc1	PC-id_83205721	270.326	SYNUFITTXAMPIG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020776
O=C1c2c(CCCC1)cn(c2)Cc1nc(OC)ccc1	PC-id_83205873	270.326	OIRJAZFHCGFAPE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020777
O=C1c2c(CCCC1)cn(c2)CCn1c(=O)cccc1	PC-id_83207585	270.326	SKPBMEWPOFBHLP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-020778
OC(=O)c1[nH]c2c(c1Nc1ccccc1)CCCCC2	SCHEMBL8922247,PC-id_21479702	270.326	JUCHGXCRNUNLEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020779
OC(=O)c1nn(c2c1CCCCC2)Cc1ccccc1	SCHEMBL300478,PC-id_66647503	270.326	GTTNSLUQUOMRHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020780
N#CC(=Cc1ccc2-c(cc1)ccc2)c1ccc(cc1)N	PC-id_141486111	270.328	UFAFAQPCVORQQP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-020781
c12CN(CCCn1nc(C#N)c2)C(=O)CC1CCC=C1	MCULE-2039254512,EMOLS-id_177501281	270.33	LIQJFOMOMUYPEN-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-020782
c12C(=O)NCCCc1[nH]c(CCCc1ccccn1)n2	MCULE-3145227134,PC-id_50953169,ZINC22_65380441,EMOLS-id_32377730	270.33	BUAAVRNSRXQKCJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020783
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1ccncc1)n2	MCULE-9989953487,PC-id_72911339,ZINC22_95380812,EMOLS-id_46636766	270.33	UCVPFLUHMXCUEL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020784
c1cc2c(cc1CN1CCc3nncn3CC1)CCO2	MCULE-5648179197,ZINC22_200518114,PC-id_56854020,EMOLS-id_232726435	270.33	XJZRQLDVDJSNTF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-020785
C1CCN(CC1)NC(=O)c1n[nH]c2=CC=CC=CC=c12	PC-id_91576660	270.33	NHAYRNYENGRXCX-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-020786
c1(C(=O)NCc2ccccc2)cn2c(CCNCC2)n1	ZINC22_1875245487,MCULE-6279784035,EMOLS-id_331130146	270.33	BTMJPZPBQMNFKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020787
c1(C(=O)NCc2ccccn2)c2CCCCCc2n[nH]1	MCULE-1423458272,ZINC22_96223218,PC-id_75488798,STOCK7S-45492,EMOLS-id_49245527,EMOLS-id_50402444	270.33	WTCXMTWSZLEIML-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020788
c1(C(=O)NCc2ccncc2)c2CCCCCc2[nH]n1	EMOLS-id_49250112,MCULE-1598482573,ZINC22_96232692,STOCK7S-47867,EMOLS-id_54882002,PC-id_75490826	270.33	CGIVGLNBEVTESW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020789
c1(C(=O)N)cn2c(CCN(Cc3ccccc3)CC2)n1	MCULE-2655710476,EMOLS-id_331133199,ZINC22_1875241287	270.33	TUARPOLCKUZHHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020790
Cc1ccccc1C(=O)N1CCn2c(CC1)nnc2C	CoCoCo_1191286,ChEMBL-DNDi_CHEMBL17956265	270.33	WBGVCGOFWAPEGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020791
Cc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319683024	270.33	FCLNVOQSAQPXQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020792
Cc1ccc(cn1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101669266	270.33	AMKIJOZRVDIZBQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020793
Cc1cccc(n1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101669311	270.33	VYHMDFYDKODGCC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020794
Cc1cccc(NC(=O)c2n[nH]c3CCCCCc23)n1	EMOLS-id_323249079,MCULE-9779954293	270.33	QVIOCZRATBUTBE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020795
Cc1cccnc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101673086	270.33	RFGJXRJWMUTQGO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020796
Cc1cccnc1NC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_323249343,MCULE-9769545738	270.33	SUGBXRODBMCRBI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020797
Cc1ccncc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101673032	270.33	XOKMITXGZIABIN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020798
Cc1ccnc(NC(=O)c2n[nH]c3CCCCCc23)c1	EMOLS-id_323251382,MCULE-1830199256	270.33	RUJXMVFKOOWUHW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020799
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cn1)C	EMOLS-id_318868788	270.33	JMRUDJQVWLCWOP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020800
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(n1)C	EMOLS-id_319342520	270.33	YIOKBZXXOANMFD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020801
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1)C	EMOLS-id_318958865	270.33	CNCWMKUFQUHXCZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020802
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccnc1C	EMOLS-id_319753899	270.33	OOBBZCFITNKJEY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020803
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc(c1)C	EMOLS-id_319723929	270.33	BOFQHBOAHQTGKE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020804
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nccc(c1)C	EMOLS-id_319185578	270.33	KSIGPZCQIFANLK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020805
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cccnc1	EMOLS-id_318784659	270.33	JNLMONSQNGDMKO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020806
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccncc1	EMOLS-id_318857452	270.33	RWQICPRCOWDGGS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020807
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Nc1ccccc1	EMOLS-id_319152210	270.33	REVBDFCXMNWMDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020808
Cc1cncc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101673038	270.33	FOZNWGXCEUXOCB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020809
Cc1cnccc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101676506	270.33	JVZDTHZJCBPUTO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020810
Cc1nccc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101676593	270.33	AAVFECVMXLTFNJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020811
CN(C(=O)C1CCn2c(CC1)nnc2)c1ccccc1	EMOLS-id_257960023	270.33	VTXOEUMUPKMDCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020812
N#Cc1cc2n(n1)CCCN(C(=O)C[C@@H]1C=CCC1)C2	ZINC22_584902741	270.33	LIQJFOMOMUYPEN-GFCCVEGCSA-N	00000011100000000101000000000010000000000000000000000000	31-01-020813
N#Cc1cc2n(n1)CCCN(C(=O)C[C@H]1C=CCC1)C2	ZINC22_584902742	270.33	LIQJFOMOMUYPEN-LBPRGKRZSA-N	00000011100000000101000000000010000000000000000000000000	31-01-020814
O=C1CCN(c2c(N1)c(C)nn2C)Cc1ccccc1	MCULE-7286321694	270.33	IVBCXMYCTRGMQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020815
O=C(c1c2c(CCCCC2)[nH]n1)NCc1cnccc1	MCULE-5821589076,EMOLS-id_323249598	270.33	KTDYNRCWZPKPRO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020816
O=C(c1cccnc1C)N1CCCc2c(C1)cnn2C	EMOLS-id_101671445	270.33	UCZFPRHHBOAOMX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020817
O=C(C(c1ccncc1)C)N1CCCc2c(C1)c[nH]n2	EMOLS-id_316408097,MCULE-5473134507	270.33	FNLMEJAPGSGWJY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020818
O=C(N1CCc2c(CC1)nc[nH]2)NCc1ccccc1	PC-id_142022574	270.33	COTLIOYZNZSFEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020819
O=C(N1CCCc2c(C1)c[nH]n2)NCc1ccccc1	MCULE-7462190335	270.33	QLWBISRAFWZXNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020820
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1	EMOLS-id_101847157	270.33	WEEFIVKTMWPENW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020821
O=C(N1CCCc2[nH]cnc2CC1)Nc1ccccc1	PC-id_20803154	270.33	BUTOFSDISUIAPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020822
O=C(N1CCn2c(nnc2)CC1)Cc1c(cccc1)C	PC-id_56860094	270.33	ZFIVPXLDPTZWLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020823
O=C(Nc1n[nH]c2CCCCCc12)c1c(N)cccc1	PC-id_12211783	270.33	NDQHZQZBEOLBHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020824
N1(CCc2nn(nc2CC1)N)C/C=C/c1ncccc1	PC-id_19985866,SCHEMBL9872485	270.333	OUFWKSBGIYZOLS-HWKANZROSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020825
N1(CCc2nn(nc2CC1)N)CC=Cc1ncccc1	PC-id_54169839	270.333	OUFWKSBGIYZOLS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020826
N#Cc1nn(c2c1CCCN(C2)Cc1cnn(c1)C)C	PC-id_97404567	270.333	VUJZVUNHFAMQFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020827
N#Cc1nn(c2c1CCCN(C2)Cc1nccn1C)C	PC-id_97515460	270.333	JOCYNKTXEIXBSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020828
FC(=O)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_101540510	270.341	ACFZBBCWEHALBY-BQYQJAHWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020829
S(CCc1c2-c(c(c1)C(=O)O)ccccc2)CC#C	PC-id_85570865	270.346	QHTITLYYGNSRGA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020830
CC(C)(C)OC(=O)ON1CCc2c(CC1)scn2	PC-id_91149520	270.348	DXUCPEQTAZRJDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020831
CCS(=O)(=O)CCn1ncc2c1CCCCC2=O	PC-id_107384246	270.348	ZITKSWIJJVJGIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020832
COC1CN(Cc2cccn2C1)S(=O)(=O)C1CC1	EMOLS-id_50012958	270.348	FKZLNWZNBWMYTE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-020833
COC(C(=O)N1CCCCc2c1sc(n2)C)OC	EMOLS-id_319614184	270.348	OYSMPCYZDYBMCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020834
COC(C(=O)Nc1nc2c(s1)CCCCC2)OC	MCULE-1694226584,EMOLS-id_316430251	270.348	TYPBRGDOZYTGGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020835
CO[C@H]1CN(S(=O)(=O)C2CC2)Cc2cccn2C1	ZINC22_247825227	270.348	FKZLNWZNBWMYTE-LLVKDONJSA-N	00100000100000000101000000000010000000000000000000000000	31-01-020836
CO[C@@H]1CN(S(=O)(=O)C2CC2)Cc2cccn2C1	ZINC22_247825229	270.348	FKZLNWZNBWMYTE-NSHDSACASA-N	00100000100000000101000000000010000000000000000000000000	31-01-020837
OCCC1C(N(C)CCc2c1ccs2)C(=O)NO	PC-id_141940982	270.348	PAJNQQNWIGKSRV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020838
O=S(=O)(N1CCCc2c(C1)cco2)N1CCCC1	EMOLS-id_102594560	270.348	DVOKGIHSPLKBLU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-020839
c1(C#N)c2CCCCCc2sc1N=Cc1ccco1	MCULE-3327057131,ChEMBL-DNDi_CHEMBL1414531,PC-id_658815,BindingDB-id_73697	270.349	QWMRXFGGEHXIIP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-020840
N#Cc1c2CCCCCc2sc1/N=C/c1ccco1	BindingDB_PC-id_9568645,STOCK1S-77511,PC-id_9568645,ZINC22_13116081,EMOLS-id_26257316	270.349	QWMRXFGGEHXIIP-LICLKQGHSA-N	00000000101000000100000000000010000000000000000000000000	31-01-020841
C[C@@H]1C[C@@]1(C)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319328790	270.351	UBKXZYHHLPGSPW-MWLCHTKSSA-N	00100000100000000101000000000010000000000000000000000000	31-01-020842
CNC(C(=O)O)CSc1nnc2n1CCCCC2	PC-id_61935645,EMOLS-id_314167153	270.351	IRJWVHJBNROVFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020843
COC(=O)C(CSc1nnc2n1CCCCC2)N	EMOLS-id_315151053,PC-id_61933182	270.351	UYWXXLPXALBWPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020844
O(C(=O)c1c2-c(c(C(C)C)c1)cccc(C(C)C)c2)C	PC-id_13559249	270.366	FXNUYTZSMXJAKR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020868
NCCC(C(=O)O)Sc1nnc2n1CCCCC2	EMOLS-id_314603415,PC-id_64695469	270.351	MDRDVBFJCDPQPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020845
NC(C(=O)O)CCSc1nnc2n1CCCCC2	EMOLS-id_314913106,PC-id_63034845	270.351	BXDJEHGJQLYYCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020846
OCCNC(=O)CSc1nnc2n1CCCCC2	PC-id_43510104,EMOLS-id_314067503	270.351	PMYNDKTYKZPZRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020847
OC(=O)C(CSc1nnc2n1CCCCC2)(N)C	PC-id_61933179,EMOLS-id_314617616	270.351	IVOVDRCGGUYHIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020848
O=S1(=O)CCCN1Cc1nnc2n1CCCCC2	EMOLS-id_99195622	270.351	CDDKDYMWKGUUIB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-020849
N#Cc1cccc(c1)Sc1nnc2n1CCCCC2	PC-id_102818348	270.353	HVMQQGLHCLTBSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020850
N#C/C(=Cc1cccs1)/c1nnc2n1CCCCC2	CoCoCo_3456281,PC-id_6264966	270.353	AEYGJIDPTJWZEH-PKNBQFBNSA-N	00000000100100000101000000000010000000000000000000000000	31-01-020851
N#C/C(=C/c1cccs1)/c1nnc2n1CCCCC2	CoCoCo_3456282,PC-id_7064228	270.353	AEYGJIDPTJWZEH-LUAWRHEFSA-N	00000000100100000101000000000010000000000000000000000000	31-01-020852
N#C/C(=C/c1ccsc1)/c1nnc2n1CCCCC2	CoCoCo_3456380,PC-id_75460353	270.353	NQVSHLVUXUYKKJ-WQLSENKSSA-N	00000000100100000101000000000010000000000000000000000000	31-01-020853
N#CC(=Cc1ccsc1)c1nnc2n1CCCCC2	MCULE-4508243857,EMOLS-id_26092897,PC-id_4154320	270.353	NQVSHLVUXUYKKJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-020854
N#C/C(=Cc1ccsc1)/c1nnc2n1CCCCC2	PC-id_6022942,CoCoCo_3456379	270.353	NQVSHLVUXUYKKJ-XYOKQWHBSA-N	00000000100100000101000000000010000000000000000000000000	31-01-020855
N#CC(=Cc1sccc1)c1n2c(CCCCC2)nn1	PC-id_5080700,EMOLS-id_300309909,MCULE-3125955655	270.353	AEYGJIDPTJWZEH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-020856
S(c1n2CCCCCc2nn1)c1ccc(cc1)C#N	PC-id_28411376	270.353	OOIYZAPQHQBQSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020857
S(c1n2CCCCCc2nn1)c1c(cccc1)C#N	PC-id_28602380	270.353	WIDOOOWALBPJQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020858
CCCCCCc1ccc2-c1cc(ccc2)C(=O)OC	PC-id_141580583	270.366	UFMSQWVFVHCNRB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020859
CCOC(=O)c1cc(c2-c1cc(ccc2)C(C)C)CC	SCHEMBL10414054,PC-id_14515741	270.366	SQHNNSQWXZVFRG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020860
CCOC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CC	SCHEMBL10414702,PC-id_14515739	270.366	HVJGQWNBVILYRQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020861
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)C(C)C	PC-id_14551199,SCHEMBL10415529	270.366	SORUPLBTZMITRG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020862
O(c1c(c2-c(c1C)cccc(C(C)C)c2)C(=O)C)CC	PC-id_15082590	270.366	DOQGGSLSLUCBCE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020863
OCCc1c2-c(c(c1C)C(=O)C)cc(C(C)C)ccc2	PC-id_14545195	270.366	HHKRYDBPUBFAPY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020864
O(CCCC)C(=O)Cc1c2-c(c(cc(c1)C)C)ccc2	PC-id_85604031	270.366	KMURNSCBJDBKLD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020865
O(C(=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C)CC	PC-id_10901685	270.366	JJMAQHQXRUNUKM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020866
O(C(=O)c1c2-c(c(CCC)c1)cccc(C(C)C)c2)C	PC-id_10038791	270.366	BVOFNYRLJJYUIP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020867
OC(=O)CCc1c2-c(cc1C)c(ccc(c2)C(C)C)C	PC-id_85950780	270.366	GOGASFVOXIVYFA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020870
OC(=O)CCc1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_611240	270.366	LSXYBKRCYYVNNW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020871
O(C(=O)CCc1c2-c(c(cc(c1)C)C)ccc2)CCC	PC-id_85604044	270.366	AHXCYXWDPQROLR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020872
O(C(=O)CCc1c2-c(c(cc(c1)C)C)ccc2)C(C)C	PC-id_85604049	270.366	JIJCCNGBCJBFGZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020873
O(C(=O)CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)C	PC-id_14401343	270.366	WSEYSDUXAZMHHH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020874
O(C(=O)CCCc1c2-c(cc1)ccc(C(C)C)cc2)C	PC-id_86168107	270.366	VCWCEGKEXGHFGH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020875
O(C(=O)CCCc1c2-c(c(cc(c1)C)C)ccc2)CC	PC-id_85604071	270.366	IWESVYQVESRYCT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020876
OC(=O)CCCc1c2-c(cc(C(C)C)cc1)c(cc2)C	PC-id_85603936	270.366	BVPPJLUFWHAHHE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020877
OC(=O)CCCCCc1c2-c(c(cc(c1)C)C)ccc2	PC-id_85604085	270.366	RAEHTBVMHKJRSL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020878
CCc1cc2c(s1)SCCC(C2=O)CC(=O)O	SCHEMBL7289143,PC-id_10659682	270.368	UZTSAUPWGRWKRE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020879
CCC1(CCSc2c(C1=O)ccs2)CC(=O)O	SCHEMBL7289152,PC-id_70046661	270.368	RSYLEAMKAONLRC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020880
CCCn1cc(c2c1C=CC=CC2)CN(C1CC1)C=O	SCHEMBL18508970	270.369	CAOULOVWNNGIDM-UHFFFAOYSA-N	00100000100000000110000000000010000000000000000000000000	31-01-020881
C/C(=C(/n1cnc2c1C=CCC=C2)C=CC(C)(C)C)/O	PC-id_144527171	270.369	BNWCQKPDUWWMMI-JXIMYUQQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020882
COc1ccc(cc1)C(C)c1n[nH]c2CCCCCc12	EMOLS-id_337935639	270.369	OLYVKEDVDPZQOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020883
NC1CCCCc2c1cn(c2)COCc1ccccc1	PC-id_102940148	270.369	IXLMJZFWQZPULY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020884
O=C1CCCC(C1)Cn1cnc2c1C=CC(C=C2)(C)C	PC-id_144512834	270.369	QEYXYQDQDJSQEB-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-020885
O(c1ccc(Cn2cc3C(N)CCCCc3c2)cc1)C	PC-id_83208441	270.369	VZGQJSMBHOFFHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020886
Oc1ccc(Cn2cc3C(NC)CCCCc3c2)cc1	PC-id_83207963	270.369	DNGVPHILTRZDEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020887
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OCc1ccc(cc1)Cn1cc2c(c1)CCCCC2N	PC-id_104017581	270.369	ZABSSXLMUIXSCF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020892
O(CCn1cc2C(N)CCCCc2c1)c1ccccc1	PC-id_83209070	270.369	NINVVIWRRWUJDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020893
O=C(Nc1c2-c(cc1)ccccc2)CCN(CC)CC	PC-id_207972	270.369	OBRICEALOGMYSD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020894
O=C(NCCN(CC)CC)c1c2-c(cc1)ccccc2	PC-id_41185	270.369	GLHUCUQJSHOOBH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020895
CCSC(=O)Nc1nc2c(s1)C(=O)CCCC2	SCHEMBL1770434,PC-id_58256579	270.371	VRRBIQALBMDFSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020896
N#Cc1c(sc2c1CCCCC2)NS(=O)(=O)C	PC-id_64593134,EMOLS-id_314288272	270.371	DCMWMVNSWPKQDB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020897
c12CCN(CCc1n[nH]c2CNC)Cc1ccccc1	MCULE-9509378768	270.373	WSDQVEYUCHTDDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020898
c1(C(C)Nc2ccc(cc2)C)nnc2CCCCCn12	EMOLS-id_44678009,PC-id_71700259,MCULE-8267619025	270.373	BZHLJBLWKSKVBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020899
c1(CN(C)Cc2ccncc2)c2CCCCCc2[nH]n1	MCULE-3435866857,ZINC22_215014368,PC-id_77079343,EMOLS-id_49867778	270.373	ABPWEJFHGTUKGB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020900
Cc1cc(C)c(cc1CN1CCn2c(CC1)nnc2)C	PC-id_28313365,CoCoCo_1167432,CoCoCo_1167431,ChEMBL-DNDi_CHEMBL15315776	270.373	OERZQUWHYMSJMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020901
Cc1cccc(C)c1CNc1nnc2n1CCCCC2	CoCoCo_6601086,CoCoCo_6601084,MCULE-3023443017,ZINC22_16776967,CoCoCo_6601085,CoCoCo_6601082,CoCoCo_6601083,PC-id_16442370	270.373	QGZQPMPDZNSRRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020902
Cc1cccc(C)c1NCc1nnc2CCCCCn12	EMOLS-id_6446431,CoCoCo_6270350,MCULE-1729401074,PC-id_5303210,ZINC22_4708951	270.373	CFNGTDIZJYQZKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020903
Cc1ccc(C)c(CNc2nnc3n2CCCCC3)c1	MCULE-3081526766,ZINC22_8549709,PC-id_4752695	270.373	OXVFFRRBUCHLJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020904
Cc1cc(C)cc(CNc2nnc3n2CCCCC3)c1	PC-id_4752691,ZINC22_8549027,MCULE-1586407467	270.373	FFKOVAPOZHNPFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020905
Cc1cccc(CNc2nnc3n2CCCCC3)c1C	PC-id_4752596,ZINC22_16769773,MCULE-2056476909	270.373	TUXHFJACBLXJDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020906
Cc1cc(C)cc(NCc2nc3n(n2)CCCCC3)c1	PC-id_35754639,CoCoCo_6602058,ZINC22_28527871	270.373	GZBNTTZWNQGQQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020907
Cc1ccc(C)c(NCc2nc3n(n2)CCCCC3)c1	ZINC22_28527878,CoCoCo_6602093,PC-id_35754641	270.373	ZHYRFAYPTOISOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020908
Cc1cc(C)cc(NCc2nnc3CCCCCn23)c1	MCULE-7664922818,ZINC22_4303640,EMOLS-id_2701532,PC-id_7177814,CoCoCo_2580259,CHEMBL1456832	270.373	BWNVQUPBWXLJDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020909
Cc1ccc(C)c(NCc2nnc3CCCCCn23)c1	PC-id_7177813,MCULE-7155352346,CoCoCo_6271369,EMOLS-id_2701530,ZINC22_4303639	270.373	RDHOXRJTCCYRBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020910
Cc1ccc(CNc2nnc3n2CCCCC3)c(C)c1	MCULE-3915754556,ZINC22_1468153,PC-id_1538843	270.373	SHXJZZPTIGLXNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020911
Cc1c(C)cc(NCc2n3c(CCCCC3)nn2)cc1	CoCoCo_3821283,ZINC22_12618555,EMOLS-id_6446526,MCULE-8151868332,PC-id_17390796	270.373	USDSQMRIMNRWHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020912
Cc1cccc(NCc2nnc3CCCCCn23)c1C	CoCoCo_6271195,CHEMBL1395725,EMOLS-id_2701520,PC-id_7177807,MCULE-3249791853,ZINC22_4303633	270.373	DAKZICZXTMCLIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020913
Cc1ccc(NCc2nc3CCCCCn3n2)c(C)c1	MCULE-9651929811,PC-id_16458506,ZINC22_28527138,EMOLS-id_32193054,CoCoCo_6600608	270.373	HHJHFQHTFBNDLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020914
Cc1ccc(NCc2nnc3CCCCCn23)c(C)c1	MCULE-5671402203,EMOLS-id_2703939,PC-id_706636,ZINC22_93112,CoCoCo_2593240	270.373	BLAXMAWNVJIGDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020915
Cc1ccc(N[C@@H](C)c2nnc3n2CCCCC3)cc1	ZINC22_94992706	270.373	BZHLJBLWKSKVBY-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020916
Cc1ccc(N[C@H](C)c2nnc3n2CCCCC3)cc1	ZINC22_94992707	270.373	BZHLJBLWKSKVBY-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020917
CC1CN(CCCc2ccncc2)Cc2c(C1)[nH]nc2	EMOLS-id_320187056,MCULE-2709757591	270.373	YEFXJYJBFQGIJP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020918
CCc1ccccc1CNc1nnc2n1CCCCC2	PC-id_4752652,ZINC22_8338779,MCULE-3610177799	270.373	VHPKKROWRKAQCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020919
CCc1ccccc1NCc1nc2n(n1)CCCCC2	PC-id_16458783,CoCoCo_6601994,ZINC22_28527846,MCULE-5068979692	270.373	PYZVVJUAISQIAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020920
CCc1ccccc1NCc1nnc2CCCCCn12	CoCoCo_2580290,PC-id_7177821,EMOLS-id_2701544,MCULE-4938534549,CHEMBL1326715,ZINC22_4303647	270.373	RIUFGRZTWXZIDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020921
CC(c1ccccc1)NCc1nnc2n1CCCCC2	MCULE-2815947055,EMOLS-id_318054673	270.373	KCGJJHOOFMRJGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020922
CCc1ccc(CNc2nnc3n2CCCCC3)cc1	PC-id_4752574,ZINC22_8338002,MCULE-4173905744	270.373	YZSMLPLCEQUPLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020923
CCc1cccc(NCc2nc3n(n2)CCCCC3)c1	PC-id_35755011,CoCoCo_6602634,ZINC22_28534858	270.373	PEYVYCRDZHUVCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020924
CCc1cccc(NCc2nnc3CCCCCn23)c1	ZINC22_4303634,CoCoCo_2580216,EMOLS-id_2701522,PC-id_7177808,MCULE-5403216959	270.373	RIUHYSFDXCRCCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020925
CCc1ccc(nc1)CN1CC(C)Cc2c(C1)cn[nH]2	MCULE-4221256559,EMOLS-id_320027657	270.373	NXSJFIUSMBROKT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-020926
CCc1ccc(NCc2nnc3CCCCCn23)cc1	MCULE-1370924742,CoCoCo_2580228,ZINC22_4303635,EMOLS-id_2701526,PC-id_7177809	270.373	XDUCNGBYEXJSDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020927
CCc1nn(c2c1NCCCN2Cc1ccccc1)C	MCULE-3479777566	270.373	HTDRAVHBTTUYEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020928
C[C@H](c1ccccc1)NCc1nnc2n1CCCCC2	EMOLS-id_318054417,MCULE-6505194811	270.373	KCGJJHOOFMRJGW-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020929
C[C@@H](c1ccccc1)NCc1nnc2n1CCCCC2	EMOLS-id_318288483,MCULE-4219891830	270.373	KCGJJHOOFMRJGW-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020930
CCn1nc(c2c1N(CCCN2)Cc1ccccc1)C	MCULE-7800173503	270.373	GTXOAFLUYMEPAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020931
n12CCCCCc1nnc2CCCNc1ccccc1	PC-id_60836907	270.373	PWASKLVNGWTUOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020932
n12CCCCCc1nnc2CCC(N)c1ccccc1	PC-id_60837397	270.373	IMFTUEOAYARPIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020933
n12CCCCCc1nnc2CCNc1ccc(cc1)C	PC-id_60836721	270.373	UTUITRKBVVBCEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020934
n12CCCCCc1nnc2CCNc1c(cccc1)C	PC-id_60836906	270.373	WPRAAKSYWWSKQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020935
n12CCCCCc1nnc2C(NCc1ccccc1)C	PC-id_43426009	270.373	IPNFLFZZRCVPCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020936
n12c(nnc1CCCCC2)C(c1ccc(N)cc1)(C)C	PC-id_80555849	270.373	CSWNVVVQPXPHLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020937
ClS(=O)(=O)c1c2-c(c(c1)C)c(OC)cccc2	PC-id_10468388	270.732	BWHMHHLWAWGKAT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020985
n1(C2CC2)c(Cn2cc3C(N)CCCCc3c2)cnc1	PC-id_83209444	270.373	JYECMGJLLUZVKT-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-020938
N1(CCc2c(nn(c2NC)C)CC1)Cc1ccccc1	PC-id_83870736	270.373	VSDLHDRWRZOCTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020939
Nc1ccc(cc1)C(Cc1nnc2n1CCCCC2)C	PC-id_104503130	270.373	OYGKNBDJMPWTIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020940
N(C1CCCCc2c1cn(c2)Cc1ncccn1)CC	PC-id_83212249	270.373	ZTBMLHJGZAIIQM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-020941
NC(c1nnc2n1CCCCC2)CCc1ccccc1	PC-id_114917853	270.373	WENFGDUPRUQLIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020942
CCCC1(COC)COc2c(OC1)c(sc2C)C	SCHEMBL13862843,PC-id_71016309	270.388	ULYNBHGXQZUOGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020943
Cc1cccc(c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_114962642	270.389	AADAKKLQOUNOPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020944
Cc1ccccc1C(=O)c1cc2c(s1)CCCCC2	PC-id_114962933	270.389	LSLLGMVYLRTJNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020945
s1c2CCCCCc2cc1C(=O)c1ccc(cc1)C	PC-id_43463035	270.389	QOFOTZLUFIJWGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020946
s1c2CCCCCc2cc1C(=O)Cc1ccccc1	PC-id_55223374	270.389	JSXMFNUMAAFMDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020947
CC(c1cn(c2c1CN(CCC2)S(=O)(=O)C)C)C	SCHEMBL19294045	270.391	RILLVUFFQZGXAJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020948
CC(C)n1nc(c2CCCCCCc12)S(=O)(=O)C	EMOLS-id_337905184	270.391	HYBSMCDEYCDJNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020949
CC(CS(=O)(=O)N1CCCc2c(C1)c(C)c[nH]2)C	SCHEMBL17232666,PC-id_118491650	270.391	JNPQVHJTNWQXIW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020950
CCS(=O)(=O)CCn1cc2c(c1)CCCCC2N	PC-id_83208034,EMOLS-id_315762075	270.391	LQXZQSVHIYEXDY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020951
CCS(=O)(=O)N1CCCc2c(C1)c(c[nH]2)C(C)C	SCHEMBL17229772,PC-id_118489295	270.391	ZIHDAJREOCFKAT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020952
CNC1CCCCc2c1cn(c2)CCS(=O)(=O)C	PC-id_83207884,EMOLS-id_314752485	270.391	KMRZPYLFHQATRA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020953
NC1CCCCc2c1cn(c2)CCCS(=O)(=O)C	PC-id_83207745,EMOLS-id_315762330	270.391	MANHNHBYAYQHRE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020954
Cc1ccc(cc1)/C=C/c1nc2c(s1)NCCCC2	PC-id_15069486,SCHEMBL8316004	270.393	KKDXUYRDKLNILF-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020955
CC(=Cc1ccccc1)c1nc2c(s1)NCCCC2	PC-id_70344538,SCHEMBL8316471	270.393	DEASRUXVEXLHKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020956
C/C(=Cc1ccccc1)/c1nc2c(s1)NCCCC2	SCHEMBL8316465,PC-id_15069542	270.393	DEASRUXVEXLHKX-VAWYXSNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020957
CC(=Cc1nc2c(s1)NCCCC2)c1ccccc1	PC-id_54041155,SCHEMBL8316468	270.393	LMLGCISMPRXFES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020958
C/C=CC=C/C=C/n1c(S)nc2c1CC=CCC=C2	SCHEMBL19055271	270.393	UYJPZADPLAVGEV-DMRVDDNJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020959
s1c2CCCCC(=NNc3ccccc3)c2cc1C	PC-id_13402095	270.393	VUIZCCAHCZGTCT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-020960
Brc1ccc2-c(c(c(N)c2C#N)C#N)cc1	PC-id_623254	272.1	LTPMFSWHJMHISK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021285
s1c2NCCCCc2nc1C=Cc1ccc(cc1)C	PC-id_53998991	270.393	KKDXUYRDKLNILF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-020961
CCC(C(Sc1nnc2n1CCCCC2)CO)N	PC-id_104842240	270.394	YUTXXFZZFKOJHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020962
CCNCC(CSc1nnc2n1CCCCC2)O	EMOLS-id_315077987,PC-id_43166374	270.394	NDCUKVXROVRWQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020963
CCOC(CSc1nnc2n1CCCCC2)CN	PC-id_63070639,EMOLS-id_314240114	270.394	RCDSVDKGNQEHGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020964
COCC(CSc1nnc2n1CCCCC2)NC	PC-id_107511300	270.394	LPXVGVVUTJTBBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020965
COCCNCCSc1nnc2n1CCCCC2	PC-id_62579439,EMOLS-id_314219776	270.394	YJWQAJFWHXGDLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020966
OCCC(CSc1nnc2n1CCCCC2)NC	EMOLS-id_315354132,PC-id_64927547	270.394	NDBFNECKZIIERZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020967
CCC(Cc1ccc(cc2-c1ccc2C)C(C)C)CO	PC-id_19807612,SCHEMBL9661235	270.409	BOCVIEOFBDKSAF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020968
CCC(C(c1ccccc2-c1c(cc2)CC(C)C)O)C	PC-id_140359430	270.409	ZKJSFPDDDIBZIY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020969
O(c1c2-c(ccc2CCCCC)cc(C(C)C)cc1)C	PC-id_15602646	270.409	RDDCFPUPDNTNQE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020970
O(c1cc2-c(ccc(CCCCCCCC)cc2)c1)C	PC-id_11425708	270.409	BLRLUWNJRDJVEM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020971
OCCC(c1c2-c(cc(CC(C)C)cc1)c(cc2)C)C	PC-id_19690313,SCHEMBL8567594	270.409	WELOZTWKPAOWQO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020972
S1CCN(CCCCN)C(=O)c2c1sc(c2)C	PC-id_54517654	270.414	YNNLKILJLWUUAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020973
S1CCC(C[N+](C)(C)C)C(=O)c2c1sc(c2)C	PC-id_10548817	270.434	JQJNXZBOEWPACF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020974
O=[S@]1C[C@H](O)CSc2sc(=S)sc12	PC-id_25916360,ZINC22_13999738	270.436	UYSZOZDXBPDEDS-HINNDVQASA-N	00000000100000000101000000000010000000000000000000000000	31-01-020975
O=[S@@]1C[C@H](O)CSc2sc(=S)sc12	PC-id_25916364,ZINC22_13999744	270.436	UYSZOZDXBPDEDS-AODSDOGZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020976
O=[S@@]1C[C@@H](O)CSc2sc(=S)sc12	PC-id_25916366,ZINC22_13999747	270.436	UYSZOZDXBPDEDS-RQBMIVISSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020977
O=[S@]1C[C@@H](O)CSc2sc(=S)sc12	ZINC22_13999741,PC-id_25916362	270.436	UYSZOZDXBPDEDS-BTUNWJCISA-N	00000000100000000101000000000010000000000000000000000000	31-01-020978
S1(=O)CC(O)CSc2sc(=S)sc12	PC-id_18525285	270.436	UYSZOZDXBPDEDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020979
s1c2CCCCCCc2nc1[C@H](N)CCSC	PC-id_83341459	270.457	RKASHIXXRNBJCD-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020980
s1c2CCCCCCc2nc1C(N)CCSC	PC-id_83341457	270.457	RKASHIXXRNBJCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020981
[Si](C(C)(C)C)(c1c(c2-c(c1C)ccccc2)C)(C)C	PC-id_10468384	270.485	HXPDBAMHFQBJDN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020982
O=Cc1ccccc2-c1nc(c2Br)Cl	PC-id_101450302	270.51	ZQIKORSTCGCXKR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020983
Clc1c2-c(n(Nc3ccccc3)c1=O)ccccc2	PC-id_15743690	270.714	IAOICBJXXHIRKF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-020984
CC1CN(CCCCl)C(=O)c2c(C1OC)[nH]cc2	SCHEMBL8471337,PC-id_21842194	270.755	DSZBYDXXJVQJBE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020986
ClCCCCn1c2c(C(O)CCN(C2=O)C)cc1	PC-id_10516246	270.755	KORVPMLFMFEBIQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020987
ClCCCCn1c2C(O)CCN(C(=O)c2cc1)C	SCHEMBL6996849,PC-id_22011264	270.755	ZLKUGECUPOTBPK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020988
ClCCCN1CCC(c2c(C1=O)ccn2CC)O	PC-id_101028466	270.755	NEUIMQPLDBXEHM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020989
ClCCCN1CCC(c2c(C1=O)ccn2C)OC	PC-id_22738114,SCHEMBL6774885	270.755	BVCSKEIWLCXMHC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020990
Cn1ccc2c1C(O)CCN(C2=O)CCCCCl	PC-id_101028465	270.755	SGLFNYWDXWEHCJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-020991
CC(C(=O)NCCc1nnc2n1CCCCC2)Cl	MCULE-5231113437,PC-id_145887756	270.758	JWGXSFMRSBILAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020992
ClCCC(=O)NC(c1n2CCCCCc2nn1)C	PC-id_43700645,EMOLS-id_314059094	270.758	ZJRZIIFTDIYFHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020993
ClC(C(=O)NC(c1n2CCCCCc2nn1)C)C	PC-id_43700647	270.758	PPLRSVXBULHGNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020994
ClCC(=O)NC(c1nnc2n1CCCCC2)CC	MCULE-9769065356	270.758	ASGVTVNDYUISHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-020995
CC1(C=CC=C2C(=C1)C=CN2)I	PC-id_147143855	270.986	BSQNJKCSTFFNFJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-020996
Brc1c(=O)c2ocnc2cc([N+](=O)[O-])c1	PC-id_14042913	271.024	AUBALFWGQRZEEF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020997
Ic1c2-c([nH]c1=O)ccccc2	PC-id_59563904,SCHEMBL13042314	271.055	SCWAJFCGHSFZCX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-020998
Cn1nc(c2=CC=C=NC=c12)I	SCHEMBL18938886	271.058	DYLRQOGDUFSWIS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-020999
CC1(I)C=Cc2c(C=C1)cc[nH]2	PC-id_143791324	271.098	PWBILQTVSUWMJI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021000
CC(C)(C)C1=C(SC2=C1CCCN(C2)C(=O)O)F	PC-id_151737154	271.104	RLTQDWUFSVJWCM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021001
Brc1[nH]c2c(CCN(CC2=O)C(=O)C)c1	PC-id_82379160	271.111	VUSINSTYGVRKPD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021002
Brc1[nH]c2CCN(CC(=O)c2c1)C(=O)C	PC-id_82379153	271.111	WFLJQEXDMKTMTB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021003
Brc1[nH]cc2c1CCN(CC2=O)C(=O)C	PC-id_82379155	271.111	LEHAOEFPTDMLMM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021004
C1CN(CCC2=C1C=NN2CC3=CC=CC=C3)C(=O)O	PC-id_153797006	271.132	DGCYOEPBNBMQQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021005
CCC1=NNC2=C1CN(CCC2)S(=O)(=O)C(C)C	PC-id_155148604	271.135	TZEHVHSJPGLJRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021006
CCC1=CC2=C(S1)CN(CCC2)CC3=CC=CC=C3	PC-id_160728563	271.139	RUAKSOKUHCCZPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021007
Brc1n(c2CCN(CCc2c1)C(=O)C)C	PC-id_83488994	271.154	LCCDVUVAGUHRBT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021008
Brc1n(cc2c1CCN(CC2)C(=O)C)C	PC-id_83488996	271.154	CUZMTYAONLIZNR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021009
C1CCCN2C(=NN=C2CCOC3=CC=CC=C3)CC1	EMOLS-id_317766816,MCULE-4311439768,PC-id_154780886	271.168	IYAPODCSHMQFRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021010
CC1=C(C=CC(=C1)OC)CN2C3=C(CCNCC3)C=N2	PC-id_161998813	271.168	YRXSMCKOEUBIIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021011
CCOC1=C(Br)C=CCc2c1ccs2	PC-id_121220129	271.173	SVEFUXWXXUHDBD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021012
CCn1c2c(CCC(CCC2(F)F)C(C)(C)C)nn1	PC-id_163660689	271.186	IUDANDSLJVDGFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021013
Brc1n(c2c(C(CN(CC2)C)(C)C)c1)C	PC-id_83488997	271.197	TXEXVDNVSANPEC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021014
Clc1c2-c(c(c1[Si](O)(C)C)Cl)ccccc2	PC-id_101956317	271.215	SQTRNCPQNBECAL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021015
[se]1nnc2CCCCCCCCCCc12	PC-id_21826015	271.261	DKOZEYLRGKKDDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021016
O1c2n(CCCC1=O)c(cc2)C(=O)c1c(O)cccc1	PC-id_23275371	271.268	GVEKURASIUGRSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021017
O=C1Nc2cc[nH]c2C(=O)NC1Cc1ccc(cc1)O	PC-id_101879188	271.271	RSDTWSSPGSQNAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021018
C1C(=O)Nc2c(NC1=O)n(nn2)CCc1ccccc1	PC-id_135474252	271.275	QWCJXNBNDZJBGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021019
CC1C(=O)Nc2c(NC1=O)n(nn2)Cc1ccccc1	PC-id_135410275	271.275	RYUYKDAGQCCXSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021020
N#Cc1ncn(n1)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_100663859	271.275	FFOLBJKQUSGAEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021021
N#Cc1nn(c2c1CCCN(C2)C(=O)c1ccno1)C	PC-id_97413462	271.275	GOMPNYFXOQECPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021022
N#Cc1nn(c2c1CCCN(C2)C(=O)c1ncn[nH]1)C	PC-id_97410066	271.278	BIEBOVUWCJQSSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021023
FCCn1c2CC(OC)CCC(c2[nH]c1=O)C(=O)N	PC-id_77982810	271.288	FQAHMRPRKXCMRE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021024
FCCn1c2CC(OC)CC[C@@H](c2[nH]c1=O)C(=O)N	PC-id_71018961,SCHEMBL13883030	271.288	FQAHMRPRKXCMRE-MQWKRIRWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021025
COc1c2CCN(CCc2sc1C(=O)O)C(=O)O	SCHEMBL13354793,PC-id_70886747	271.29	ZRNTXSQOXQVFHZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021026
CC1CN(CCOC2CC2(F)F)Cc2c(C1)[nH]nc2	EMOLS-id_319359950	271.306	ZZWZTCAMIDNCFX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-021027
s1c2CCCC(=O)N(c2cc1)C(F)C(=O)OCC	PC-id_81297618	271.308	JMCMPJYPBQVYST-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021028
O1c2c(OCCC1)cn(CCOCCOCCO)c2	PC-id_10989364,SCHEMBL2721504	271.31	ADTDJGYWWFUUAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021029
O1OCCCc2c1cn(c2)CCOCCOCCO	SCHEMBL6684160,PC-id_22672957	271.31	ZFDIMBRQFAVHAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021030
Cc1c2-c(c(cc2C(=O)O)C=NO)cc(cc1)C(C)C	PC-id_88264758	271.311	CMIJYECPMUPYKA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021031
C/C=CC=C(c1nc2c(o1)CC=C(C=C2)C(=O)O)/CC	PC-id_143217989	271.311	REOQSBHYOURFSJ-GGKXIICKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021032
NC(=O)c1nc2CCN(CCc2s1)C(=O)CCF	EMOLS-id_313793078,ZINC22_1565555137	271.311	TVOOQVKRGKTART-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021033
o1c2c(n(c1=O)C(=O)c1ccc(cc1)C)CCCCC2	PC-id_85918867	271.311	VREDTGIEAQBFEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021034
Oc1ccc(c(c1)C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_319349584	271.311	AFFNEVBMMFRGOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021035
OC(=O)c1cccc(c1)CN1CCCc2c(C1)cco2	EMOLS-id_72772589,PC-id_122034496,MCULE-1262288856	271.311	BDLFGEHOLVLQMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021036
OC(=O)c1ccc(cc1)CN1CCCc2c(C1)cco2	PC-id_122034495	271.311	UPDXRBLWWOOBNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021037
c1ccc2NC(=O)C(=Cc3ccc4-c3ccccc4)c2c1	SCHEMBL3284018,PC-id_57390079,CHEMBL1257560	271.313	JASLPUAXLBHAQT-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-021038
N#CC(=Cc1ccc2-c1ccccc2)c1ccc(cc1)O	PC-id_141454297	271.313	ONHHXDRFJISUDX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-021039
N#CC(=Cc1ccc2-c(cc1)ccc2)c1ccc(cc1)O	PC-id_141486110	271.313	MPUDQCJJSKWLPB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-021040
O=C1Nc2c(/C/1=C/c1c3-c(cc1)ccccc3)cccc2	BindingDB_PC-id_52941420,PC-id_52941420,SCHEMBL3285276	271.313	JASLPUAXLBHAQT-ATVHPVEESA-N	00000010100000100110000000001010000000000000000000000000	31-01-021041
O=C1Nc2c(C1=Cc1cc3-c(c1)ccccc3)cccc2	PC-id_59301619	271.313	LPFIMDKGLDOSRH-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-021042
O=C1Nc2c(/C/1=Cc1cc3-c(c1)ccccc3)cccc2	SCHEMBL13324614	271.313	LPFIMDKGLDOSRH-SFQUDFHCSA-N	00000010100000100110000000001010000000000000000000000000	31-01-021043
O=C1Nc2c(/C/1=C/c1cc3-c(c1)ccccc3)cccc2	SCHEMBL3284695,PC-id_59301631	271.313	LPFIMDKGLDOSRH-ATVHPVEESA-N	00000010100000100110000000001010000000000000000000000000	31-01-021044
O=C1Nc2c(/C/1=Cc1ccc3-c1ccccc3)cccc2	SCHEMBL3284013	271.313	JASLPUAXLBHAQT-SFQUDFHCSA-N	00000010100000100110000000001010000000000000000000000000	31-01-021045
O=C(c1c2-c(c(c1C)C#N)ccccc2)c1ccccc1	PC-id_12008220	271.313	WGOSCBHJJUOMSZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-021046
c1(C(=O)Nc2cc(C)ccn2)c2CCCCCc2on1	ZINC22_20426656,TIMTEC557340,PC-id_17254349,MCULE-1783283506,EMOLS-id_20815053	271.314	XTPGDTNPPYYQET-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021047
c1(C(=O)Nc2c(cccn2)C)c2CCCCCc2on1	PC-id_45491085,ZINC22_36353440,EMOLS-id_29920671,STOCK6S-86784,MCULE-9079043881	271.314	CFMLPRJGWUUSNG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021048
c1(C(=O)NCc2ccncc2)c2CCCCCc2on1	MCULE-8102283609,STOCK6S-93093,ZINC22_36364937,EMOLS-id_29930015,PC-id_45495124	271.314	YRLCGDGLYDGYOQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021049
c1(C(=O)O)cc2n(CCCN(Cc3ccccc3)C2)n1	MCULE-3466171560,ZINC22_67742052,EMOLS-id_36448505,PC-id_56714159	271.314	AIERBRBAJXZIKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021050
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1O	EMOLS-id_319963250,MCULE-7805078783	271.314	TUSHCDKCTHGAEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021051
Cc1nn(c2c1C=NC(CO2)COc1ccccc1)C	EMOLS-id_316181119	271.314	NTIKUNVAXXORND-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-021052
Cc1nn(c2c1C=NCC(O2)COc1ccccc1)C	PC-id_136590502,EMOLS-id_323940840	271.314	DSXQVBWVPLYQQE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-021053
CNc1ccc(nc1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_318936783	271.314	FRKFGWXIZQPIKP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021054
CNC1C(=O)N(CCc2c1occ2)Cc1ccccn1	PC-id_23554504,SCHEMBL14172449	271.314	CGJSCJWYRAWINV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021055
CNC1C(=O)N(CCc2c1occ2)Cc1cccnc1	PC-id_23554516,SCHEMBL14172451	271.314	LIBKVBDNPHBABQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021056
CNC1C(=O)N(CCc2c1occ2)Cc1ccncc1	SCHEMBL14172446,PC-id_23554532	271.314	OGPGQQLWFIFVQV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021057
CNC1C(=O)N(CCc2c1ocn2)Cc1ccccc1	PC-id_23554833,SCHEMBL14172354	271.314	AUBREPDEWHCYNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021058
COc1ccc(cc1)Cn1c2c(cn1)C(=O)CCCN2	PC-id_136378641,SCHEMBL15130217	271.314	GNCNHRMUVZFSCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021059
COc1ccc(cc1)Cn1cc2C(=O)CCCNc2n1	PC-id_136378640,SCHEMBL366198	271.314	OCUBPLPHYUMUAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021060
o1nc(c2c1CCCCC2)C(=O)NCc1cnccc1	PC-id_3237086,CHEMBL1556622,ChEMBL-DNDi_CHEMBL1556622	271.314	CTTLSKBWJFMOOP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021061
o1nc(nc1C1CC1)Cn1cc2CCCCC(=O)c2c1	PC-id_83206531	271.314	XDUVFNLJSDFNHY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-021062
o1nc(nc1Cn1cc2CCCCC(=O)c2c1)C1CC1	PC-id_83206400	271.314	OORZHOQECNIJCZ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-021063
Oc1ccc(c(c1)C(=O)N1CCCc2c(C1)c[nH]n2)C	EMOLS-id_278991256	271.314	SVHFFVAXONYLAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021064
Oc1ccccc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101668217	271.314	XTXIYCRDGNOWCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021065
Oc1ccccc1NC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_334960906,MCULE-8017457001	271.314	HTDKANVJKRMJPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021066
Oc1cccc(NC(=O)c2n[nH]c3CCCCCc23)c1	EMOLS-id_323252913,MCULE-6837540429	271.314	GPBFGCGVPWYEOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021067
Oc1ccc(NC(=O)c2c3c(CCCCC3)[nH]n2)cc1	EMOLS-id_323254192,MCULE-1590507887	271.314	IJBIKSHLOLAGNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021068
O=c1n2CCCCCc2nn1CC(=O)c1ccccc1	PC-id_60747026	271.314	QIPLTEOKVFHNPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021069
O=C1NCCCc2c1nc([nH]2)CCOc1ccccc1	EMOLS-id_32383098,MCULE-7673676138,PC-id_50956019	271.314	OYALBCJNPZTKIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021070
O=C1N(CCCc2[nH]ncc12)Cc1ccc(OC)cc1	PC-id_46941743	271.314	XQIGIFXLLLIWJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021071
O=C(Cn1c(=O)nc2-c1ccccc2)NC1CCCC1	EMOLS-id_318810833	271.314	UPHLFQUIVUUKEC-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-021072
O(Cn1c2c(nc1)CCNC(=O)C2)Cc1ccccc1	PC-id_73292798	271.314	RIXKXXNBGNGUOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021073
OC(=O)c1ncn2c1CN(CCC2)Cc1ccccc1	PC-id_71047669,SCHEMBL14002060	271.314	GUGSGLSGEIHNAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021074
OC(=O)c1n[nH]c2CCN(CCc12)Cc1ccccc1	PC-id_83870738	271.314	AKZDOWPGSAOKAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021075
O(C(=O)N1CCCc2[nH]cnc2CC1)c1ccccc1	PC-id_20803161	271.314	ILNUJXIINIXSOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021076
c1ccc2-c(cc1)cc(n2)Nc1cc2-c(n1)ccccc2	PC-id_102419816	271.316	AMBCJRFVCSWECQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021077
N/C=C/C(=CC=C(C#N)C#N)/c1ccc2-c1ccccc2	PC-id_102138878	271.316	RTMFUQHJDJWPGI-XVCWLYTKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021078
N(=Nc1ccc(cc1)C)c1c2-c(c(c1)C#N)ccccc2	PC-id_85955945	271.316	XZEBQSZCNFVMKT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-021079
c12CN(CCCn1nc(C)c2)C(=O)Nc1cccnc1	MCULE-3641363498,PC-id_118780284,ZINC22_299786121,EMOLS-id_68910911	271.318	IVASFTVTKBRNHH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021080
Cc1cccc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102170012	271.318	SLBOPWOGBKBNQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021081
Cc1ccc(cc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102171512	271.318	FULHIGKNOFFQIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021082
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc(c1)N	EMOLS-id_319229386	271.318	JFCIYYGUMVLPFG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021083
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(cn1)C	EMOLS-id_320252702,MCULE-2816634468	271.318	DJQVJGGOGLKFGO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021084
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncnc1C	EMOLS-id_319117488	271.318	NRKWJLOTVGQOPP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021085
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncccc1N	EMOLS-id_319624208	271.318	UNLZASZSOJJXKL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021086
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nccc(n1)C	EMOLS-id_319040844	271.318	HSGSKLYYWKMXKV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021087
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncnc(c1)C	MCULE-7851601366,EMOLS-id_319991804	271.318	KNZIEASFRVMNSC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021088
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cncnc1	EMOLS-id_320014860,MCULE-4174690065	271.318	IEDRNBXKOZIKNW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021089
Cc1cnc(C(=O)N2CCCn3nncc3C2)cc1C	PC-id_136565789,MCULE-7528598224,ZINC22_829601143,EMOLS-id_316972212	271.318	ALYHADNLUSUMAX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021090
CNc1ccc(nc1)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_317958795	271.318	LJYITYIXOIDXRP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021091
n1c(CNC(=O)c2ccnnc2)c2c(CCCCC2)[nH]1	EMOLS-id_232874114,ZINC22_885939059,MCULE-9624054276	271.318	PNIXCSUGSMNOCR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021092
O=C1NCCCc2[nH]c(nc12)CCNc1cccnc1	PC-id_72852217	271.318	HFQNKUYKTWFBDR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021093
O=C(c1ccccc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102170039	271.318	RMPVGHKGZITWNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021094
O=C(c1cccc(c1N)C)N1CCCn2c(C1)cnn2	MCULE-7416673257,EMOLS-id_319881259	271.318	XPAZKAAYVGYYGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021095
O=C(C1CCCCn2c1nnn2)NCc1ccccc1	MCULE-7476848838,PC-id_74249504,EMOLS-id_49678472	271.318	QXCZCAOQAISSEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021096
O=C(c1cccnc1)NCc1nnc2n1CCCCC2	MCULE-6956972199,EMOLS-id_257872524	271.318	UONSOUYBKZNUGL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021097
O=C(C1CCn2c(CC1)nnc2)Nc1cnccc1C	EMOLS-id_257965285,MCULE-3821684083	271.318	PIHMJDYPVLLKHB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021098
O=C(c1n[nH]c2c1CCCCC2)N1CCn2c1ncc2	EMOLS-id_319846114,MCULE-5309886823	271.318	USHSCCFNWMCVHY-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-021099
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccccc1	MCULE-2862537492,EMOLS-id_320130604	271.318	ZYDRTZGREWQHKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021100
O=C(Nc1ccccn1)c1nnc2n1CCCCCC2	MCULE-4565902364,EMOLS-id_320400998,ZINC22_630951661	271.318	NDPLWINAEFWUAI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021101
O=C(NCc1ccccc1)[C@@H]1CCCCn2nnnc12	PC-id_97940239,ZINC22_97785170	271.318	QXCZCAOQAISSEH-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021102
O=C(NCc1ccccc1)[C@H]1CCCCn2nnnc12	PC-id_97940240,ZINC22_97785171	271.318	QXCZCAOQAISSEH-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021103
O=C(NCc1nnc2n1CCCCC2)c1ccccn1	ZINC22_67507905,MCULE-2126060473,EMOLS-id_36261873,PC-id_53521032	271.318	PMADQDCICJQNBC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021104
O=C(NCc1nnc2n1CCCCC2)c1ccncc1	PC-id_47019764,MCULE-2107211540,EMOLS-id_30682592,ZINC22_48288340	271.318	YHNVEWPXFOMRIU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021105
c12CN(CCCn1nc(C#N)c2)Cc1n[nH]c(CC)n1	ZINC22_670464643,EMOLS-id_222784228,MCULE-7268402604	271.321	RJUVRPWPQBLWQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021106
Fc1ccc(c(c1)C)Cn1cc2c(c1)CCCCC2=O	PC-id_114346618	271.329	PDIDHDVMMSJHGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021107
Fc1ccc(c(c1)Cn1cc2c(c1)CCCCC2=O)C	PC-id_105372610	271.329	RSZCAAHHOUUKOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021108
CCOC(=O)ON1CCc2c(C(C1)OC)ccs2	PC-id_91388150,SCHEMBL4431768	271.333	MXFGRUNYPPEGNA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021109
COC1CN(C)CCc2c1cc(s2)OC(=O)OC	SCHEMBL4431719,PC-id_69041389	271.333	HFSOKPQWZJLKNI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021110
C1=CC=CC=c2c(=CC=CC=C1)sc(c2C(=O)O)N	PC-id_90845078	271.334	CJNVDNWHLRGEOI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021111
CCCc1nn(c2c1NC(=O)C(CS2(=O)=O)C)C	PC-id_113707051	271.336	BMOVCBFRWNVHDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021112
CCCNS(=O)(=O)c1cc2C(=O)NCCCn2c1	MCULE-7783224596,EMOLS-id_33086140,PC-id_53182756	271.336	PTMZMNLGBJPYCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021113
CCS(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_112056956	271.336	MKHZHWCUCQTQFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021114
COCC(C(=O)O)Sc1nnc2n1CCCCC2	PC-id_103224202	271.336	YDWMGTGCNHIVEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021115
NC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C	PC-id_138391926,EMOLS-id_323943405	271.336	XNJJGDKMUCWTRH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021116
OCc1cc2CN(CCCn2n1)S(=O)(=O)C1CC1	EMOLS-id_55677217,MCULE-6661893626,PC-id_91786038	271.336	IVZTTZVFWMSVBV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-021117
OCC1CCn2nccc2CN1S(=O)(=O)C1CC1	EMOLS-id_313815599	271.336	SQTIAZOEJYQIRJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-021118
OC(=O)CC(CSc1nnc2n1CCCCC2)O	EMOLS-id_315006762,PC-id_82775224	271.336	ZCBMNDDXRWTAHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021119
OC(=O)C(CSc1nnc2n1CCCCC2)(O)C	EMOLS-id_315230938,PC-id_64470527	271.336	HGTQBHOGAKVGPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021120
O=S(=O)(C1CC1)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585098047	271.336	SQTIAZOEJYQIRJ-JTQLQIEISA-N	00100000100000000101000000000010000000000000000000000000	31-01-021121
O=S(=O)(C1CC1)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585098049	271.336	SQTIAZOEJYQIRJ-SNVBAGLBSA-N	00100000100000000101000000000010000000000000000000000000	31-01-021122
S(c1n2CCCCCc2nn1)CCC(=O)ONN	PC-id_66336963	271.339	AAAZNBJZDGRXAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021123
N#Cc1ccc(cn1)Sc1nnc2n1CCCCC2	PC-id_115489930	271.341	HVTLJCKCKHIDQB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021124
N#Cc1cccnc1Sc1nnc2n1CCCCC2	PC-id_18125999,MCULE-4078492076,EMOLS-id_44013398,CoCoCo_4402845	271.341	BOTYSUPDXHSXEP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021125
N#Cc1ccc(Sc2nnc3n2CCCCC3)nc1	PC-id_28402575,MCULE-8245031278,EMOLS-id_50301687,ZINC22_19846612	271.341	LCBQNONREWFLJB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021126
N#CC(=Cc1scnc1)c1n2c(CCCCC2)nn1	MCULE-8997904580	271.341	BGKOULUGQPSDQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021127
N#C/C(=Cc1scnc1)/c1nnc2n1CCCCC2	PC-id_146025192	271.341	BGKOULUGQPSDQI-UXBLZVDNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021128
S(c1n2CCCCCc2nn1)c1cccnc1C#N	PC-id_81603452	271.341	RJQSNOCPBZTTFZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021129
S(c1n2CCCCCc2nn1)c1c(ccnc1)C#N	PC-id_81748421	271.341	HTRHNSPPJFVBGG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021130
S(c1n2CCCCCc2nn1)c1cc(ncc1)C#N	PC-id_62936259	271.341	WRJMRJKEMJBFMO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021131
S(c1n2CCCCCc2nn1)c1nccc(c1)C#N	PC-id_28402574	271.341	VBNSXWRMJCLFMI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021132
S(c1n2CCCCCc2nn1)c1nc(ccc1)C#N	PC-id_64594214	271.341	SBNJIDJBICOHBF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021133
CC(C1CCc2nnn(c2C(CC1)(F)F)C(C)C)C	PC-id_145751259	271.349	IYKSMPXTKFCXAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021134
CC(C1CCc2n(nnc2C(CC1)(F)F)C(C)C)C	SCHEMBL18211357,PC-id_122674719	271.349	ZFSJMJVGVJBIAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021135
CC(C1CCCCc2c(C1(F)F)nnn2C(C)C)C	PC-id_140907582	271.349	QHFXFQJMFAJTHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021136
CC(C1CCCCc2c(C1(F)F)n(nn2)C(C)C)C	PC-id_140907590	271.349	BTSMMUJVBFMEKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021137
Cc1c2-c(ccccc2OCCCN(C)C)c(c1)C=O	SCHEMBL3284036,PC-id_87504684	271.354	AUQLTVUVGZSSKA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021138
CCCCCCC1c2c([nH]nc2NC(=O)CS1)F	PC-id_136646138	271.354	HNQZEGITHIOGQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021139
CCCCCCc1ccc2-c1cc(ccc2)C(=O)NO	PC-id_141580577	271.354	DQRASICXENOSSM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021140
FCCNC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890481	271.354	QFHYLUKARZBIKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021141
OC1c2c(CCCC1)cn(c2)Cc1ccc(OC)cc1	PC-id_83208170	271.354	OLIFDBMKGLZQAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021142
OC1c2c(CCCC1)cn(c2)Cc1cc(OC)ccc1	PC-id_83208712	271.354	HDXSSTRXZZGYRM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021143
OC1c2c(CCCC1)cn(c2)Cc1c(OC)cccc1	PC-id_83207866	271.354	XIIWTKRSUVCEEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021144
OC1c2c(CCCC1)cn(c2)CCOc1ccccc1	PC-id_83208561	271.354	IVWTZXKUTMMPDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021145
OC1CCCCc2c1cn(c2)COCc1ccccc1	PC-id_102940082	271.354	BMDPFZUHTVTCRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021146
OCc1ccc(cc1)Cn1cc2c(c1)CCCCC2O	PC-id_104017523	271.354	FMTMNBUKGOYHEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021147
OCC(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102159998	271.354	HVSUUWKFEFCDMT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021148
O(C(=O)c1c2-c(c(CCCCCN)c1)ccccc2)C	PC-id_9993345	271.354	ZWQSCQPDDPTBAW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021149
O(C(=O)c1c2-c(c(CCN)c1)ccc(C(C)C)cc2)C	PC-id_10468428	271.354	NHKXYEHIMKNWIX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021150
O(C(=O)c1c2-c(c(CCN)c1)cccc(C(C)C)c2)C	PC-id_11777978	271.354	CTDCGFAXIORHFZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021151
ON(c1cc2-c(ccc2CCCCCC)ccc1)C=O	PC-id_57135750	271.354	FEJPXGZISXSQNW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021152
[O-][N+](=O)CCc1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_13435106	271.354	GGBYOWQTRYEGPI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021153
N#CCc1c(C)c(c2-c1ccccc2)Cc1ccccc1	PC-id_139771638	271.356	QWRYLEFRUMKUDV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-021154
c1ccc(COCc2nnc3n2CCCCCC3)cc1	ZINC22_630950668,EMOLS-id_324053107,MCULE-2491614774,PC-id_146108397	271.357	DURFYEIWTITEHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021155
Cc1c(C)cc(OCc2n3c(CCCCC3)nn2)cc1	MCULE-3016108256,EMOLS-id_48742851,PC-id_2358842,ZINC22_3241387	271.357	BRLCCCBMUIOKEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021156
C[C@@H]1c2c(n(nc2C)C)OC[C@@H](N1)Cc1ccccc1	PC-id_136590381	271.357	VIBXGVIXNGLAOI-RISCZKNCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021157
Cn1c(c2CNCCCc2n1)OCCc1ccccc1	PC-id_136590244	271.357	MAVGNUOBSNULPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021158
COc1ccccc1Cc1nnc2n1CCCCCC2	EMOLS-id_324054643,PC-id_146108401,MCULE-8686695395,ZINC22_630950350	271.357	AVWGIFXCUFYSHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021159
COC1CCCCCc2c1n(nn2)Cc1ccccc1	PC-id_101481180	271.357	VGRSVGRPGUIUJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021160
COC1CN(Cc2cccc(C)n2)Cc2cccn2C1	EMOLS-id_50012930	271.357	ZAHMXYYEOWUDBL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021161
COC1CN(CCc2ccccc2)Cc2ccnn2C1	EMOLS-id_50010688	271.357	QJAVIZPYMQJTAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021162
COC(c1nnc2n1CCCCCC2)c1ccccc1	PC-id_10061754,SCHEMBL4528109	271.357	XVYQQMXVHUVVAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021163
CO[C@H]1CN(Cc2cccc(C)n2)Cc2cccn2C1	ZINC22_247901444	271.357	ZAHMXYYEOWUDBL-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021164
CO[C@@H]1CN(Cc2cccc(C)n2)Cc2cccn2C1	ZINC22_247901448	271.357	ZAHMXYYEOWUDBL-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021165
CO[C@H]1CN(CCc2ccccc2)Cc2ccnn2C1	ZINC22_247881911	271.357	QJAVIZPYMQJTAS-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021166
CO[C@@H]1CN(CCc2ccccc2)Cc2ccnn2C1	ZINC22_247881914	271.357	QJAVIZPYMQJTAS-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021167
o1nc2c(CCN(CC2)Cc2ccccc2)c1CCN	PC-id_83870733	271.357	VHZNIXOZRTZMAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021168
o1nc2CCN(CCc2c1CNC)Cc1ccccc1	PC-id_83870734	271.357	OYOQMVAHELWDIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021169
O=C1c2c(CCCC1)cn(c2)Cc1n(nc(c1)CC)C	PC-id_83205720	271.357	BNSPTGYCUACDHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021170
O=C1c2c(CCCC1)cn(c2)Cc1nn(C(C)C)cc1	PC-id_83208679	271.357	BIKGGTJDNOTFNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021171
OC1c2c(CCCC1)cn(Cc1n(C3CC3)cnc1)c2	PC-id_83209643	271.357	XRTPZYZMGBNQHX-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-021172
O=C1c2c(CCCC1)cn(Cc1n(C(C)C)cnc1)c2	PC-id_83206677	271.357	YSPSMGZBBQWTQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021173
O=C1c2c(CCCC1)cn(Cc1n(CCC)cnc1)c2	PC-id_83207172	271.357	ORKQFTAUXWQXOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021174
O=C1c2c(CCCC1)cn(Cc1n(nc(c1)C)CC)c2	PC-id_83207171	271.357	YYQIKLALMVGHEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021175
O(c1ncccc1Cn1cc2C(N)CCCCc2c1)C	PC-id_83208883	271.357	AYASQKWEHZVDLK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021176
O(c1nc(Cn2cc3C(N)CCCCc3c2)ccc1)C	PC-id_83208213	271.357	UDJLIHYYRCTYAT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021177
O=c1n(CCn2cc3C(N)CCCCc3c2)cccc1	PC-id_83208224	271.357	HBIZKBWDJIYTJV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021178
OCC1CCn2nccc2CN1CCc1ccccc1	EMOLS-id_313818159	271.357	KOVSWBFZOVPGIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021179
O(Cc1n2CCCCCc2nn1)c1ccc(CC)cc1	PC-id_7566122	271.357	HPGMNKYLYDZJQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021180
OC[C@@H]1CCn2nccc2CN1CCc1ccccc1	ZINC22_585097386	271.357	KOVSWBFZOVPGIX-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021181
OC[C@H]1CCn2nccc2CN1CCc1ccccc1	ZINC22_585097387	271.357	KOVSWBFZOVPGIX-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021182
CCCSc1nc2c(s1)C(=O)N(CC(=O)N2)C	PC-id_142739097	271.359	SZTOIHGBFLTHRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021183
N#Cc1c(sc2c1CCCCC2)NS(=O)(=O)N	PC-id_45117528,EMOLS-id_50796969	271.359	KQJNFUMXCLOBJM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021184
C1CC/C(=C(C#N)/c2nnc3n2CCCCC3)/NCC1	CoCoCo_648959,PC-id_135576442	271.361	RXLGCDURRDYQSF-SEYXRHQNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021185
c1ccn(Cc2nnc3n2CCCN(CC2CC2)C3)c1	EMOLS-id_44370818,ZINC22_96259635,PC-id_97519717	271.361	BMULRNPHUOXWEY-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-021186
c1(nnc2CCCCCn12)C(=C1CCCCCN1)C#N	EMOLS-id_300206395,MCULE-2135709477	271.361	RXLGCDURRDYQSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021187
Cc1ccc(c(c1)C)CNC1CCn2c(CC1)nnn2	EMOLS-id_102024388	271.361	IYGZSGQOEPEXNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021188
Cc1c(cccc1C)CNC1CCn2c(CC1)nnn2	EMOLS-id_102024397	271.361	VMEUDSGQNJTSSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021189
Cc1ccc(c(c1)CNC1CCn2c(CC1)nnn2)C	EMOLS-id_102024385	271.361	KUSWLHMIHODHAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021190
Cc1cccc(c1CNC1CCn2c(CC1)nnn2)C	EMOLS-id_102028229	271.361	CFYXGTOJOUTGMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021191
Cc1cc(CNC2CCn3c(CC2)nnn3)ccc1C	EMOLS-id_102024394	271.361	NYDSJGJAZDRMGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021192
Cc1cc(CNC2CCn3c(CC2)nnn3)cc(c1)C	EMOLS-id_102026251	271.361	RZANMMLAJSCXJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021193
Cc1ccnc(CN2Cc3c[nH]nc3CC(C)(C)C2)n1	ZINC22_952891815,EMOLS-id_316181342,MCULE-9393232807	271.361	IQSZARLVWXJTJA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021194
CC1CN(Cc2nn3c(c2)CCC3)Cc2c(C1)[nH]nc2	EMOLS-id_318899423	271.361	BIVAUAGLFFYIQF-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-021195
Cc1ncc(c(n1)C)CN1CCCc2c(C1)cnn2C	EMOLS-id_319038761	271.361	OLFZTCHHJADXTF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021196
Cc1nn2C=CCC(=Cc2n1)C(=NC)/C(=C(C)/NC)/C	PC-id_134567652	271.361	GHYLZDQRKFQHRR-ZPHNGDMXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021197
CC(c1ccccn1)NCc1nnc2n1CCCCC2	EMOLS-id_318279529,MCULE-5532823092	271.361	OFQOPUNEZNTATP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021198
CC(c1cccnc1)NCc1nnc2n1CCCCC2	MCULE-1404659753,EMOLS-id_318061527	271.361	JXOAOYVTWYDSLP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021199
CC(c1ccncc1)NCc1nnc2n1CCCCC2	EMOLS-id_318300587,MCULE-8693303853	271.361	VCNBTHVOQACTLM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021200
CCc1nccc(c1)NCc1nnc2n1CCCCC2	MCULE-9662347154,EMOLS-id_318333239	271.361	XUSIBEZMKZAOSD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021201
Cn1ncc2c1CCCN(C2)Cc1ncn(c1)C1CC1	EMOLS-id_319246256	271.361	IWZQXVWNGPFYDY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-021202
CN(C1CCn2c(CC1)nnc2C)Cc1ccncc1	EMOLS-id_97080824,MCULE-7436084002	271.361	YBRCJVGKIVFPQI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021203
CN(Cc1cccnc1)CC1CNCc2n(C1)ccn2	PC-id_118740950	271.361	IIDGSEKLAAHMHZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021204
C/N=C(C(=C(NC)/C)C)/C1=Cc2nc(nn2C=CC1)C	SCHEMBL20217906	271.361	GHYLZDQRKFQHRR-FQBHYKLYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021205
N12CCCCCC1=NN/C/2=C(/C1=NCCCCC1)C#N	PC-id_5721981	271.361	XZJHWCWZIYYBHF-QINSGFPZSA-N	00000011000000000111000000000010000000000000000000000000	31-01-021206
N12CCCCCC1=NN/C/2=C(C1=NCCCCC1)/C#N	PC-id_6097894	271.361	XZJHWCWZIYYBHF-NTCAYCPXSA-N	00000011000000000111000000000010000000000000000000000000	31-01-021207
N12CCCCCC1=NNC2=C(C1=NCCCCC1)C#N	PC-id_6799733	271.361	XZJHWCWZIYYBHF-UHFFFAOYSA-N	00000011000000000111000000000010000000000000000000000000	31-01-021208
n12CCCCCc1nnc2C(C1=NCCCCC1)C#N	PC-id_78442991	271.361	FKUJQTMEDOONCE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021209
n12CCCCCc1nnc2[C@@H](C1=NCCCCC1)C#N	PC-id_7065470	271.361	FKUJQTMEDOONCE-GFCCVEGCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021210
n12CCCCCc1nnc2C(NCc1cccnc1)C	PC-id_43426023	271.361	XNNMOBIMSXCCPU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021211
n12CCCCCc1nnc2C(NCc1ccncc1)C	PC-id_43433189	271.361	VQAGYOPIHLTIBK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021212
n12CCCCCc1nnc2C(NCc1ncccc1)C	PC-id_43426022	271.361	NUOJQSWRNKZUJX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021213
N1(CC(NCC1)C)CCNc1nc2-c(n1)ccccc2	PC-id_85672420	271.361	HHCFETPLHFTTGB-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-021214
N#C/C(=C
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CCS(=O)(=O)CCn1cc2c(c1)CCCCC2O	EMOLS-id_315763614,PC-id_83208567	271.376	DAOPVTZSCSLMCA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021216
OC1CCCCc2c1cn(c2)CCCS(=O)(=O)C	PC-id_83208633,EMOLS-id_315763100	271.376	RQOPUUXIWBXDDV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021217
Cc1ccc(cn1)C(=O)c1cc2c(s1)CCCCC2	PC-id_114971557	271.377	MJNCTXOCIWCGLJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021218
Cc1ccncc1C(=O)c1cc2c(s1)CCCCC2	PC-id_115781425	271.377	GMSIOFCUVOYOTN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021219
Cc1cncc(c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_113660274	271.377	CSXKLSWJULTZGR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021220
Nc1sc2c(c1C(=O)c1ccccc1)CCCCC2	GD-id_ZINC13558667,PC-id_44301744,CHEMBL303818,SCHEMBL5851585	271.377	LSYRTPSVHOYMRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021221
O=C(c1cc2c(s1)CCCCC2)Cc1cccnc1	PC-id_113661195	271.377	LTDBSHGFQTXKOG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021222
O=C(Nc1ccccc1)c1cc2c(s1)CCCCC2	PC-id_7946209,CoCoCo_3243635,ZINC22_6338523,MCULE-6173091900,EMOLS-id_43819619	271.377	FHYWBKGIFCLZSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021223
s1c2CCCCCc2cc1C(=O)c1ccc(N)cc1	PC-id_64193454	271.377	SKLVNKNHDDYJFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021224
s1c2CCCCCc2cc1C(=O)Cc1ccncc1	PC-id_65582322	271.377	MMAMCTJYTPTXFK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021225
s1c2CCCCCc2cc1C(=O)Cc1ncccc1	PC-id_28935159	271.377	JBVRSPFMRCHUEC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021226
s1c2CCCCCCc2nc1C(=O)c1ccccc1	PC-id_63346427	271.377	ZIVWWIMKRIIFQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021227
CC1CN(CCCS(=O)(=O)C)Cc2c(C1)[nH]nc2	EMOLS-id_319855430	271.379	YOBPSYWAAJLKNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021228
Cc1[nH]nc2c1CN(CCC2)S(=O)(=O)C(C)(C)C	PC-id_118882450,SCHEMBL17518077	271.379	AZLIIWSAJUUNLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021229
CC(c1nn(c2c1CN(CCC2)S(=O)(=O)C)C)C	SCHEMBL17229746,PC-id_118489272	271.379	MNEBRSYRVQDACY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021230
CCCCS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319164908	271.379	VQPPPHRGVOJKGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021231
CC(CS(=O)(=O)N1CCCc2c(C1)c(C)[nH]n2)C	PC-id_118882452,SCHEMBL17518079	271.379	MQWKYIZTIUFYKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021232
CC(CS(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101948394	271.379	HXEVFFOZZNVNGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021233
CCOCC(CSc1nnc2n1CCCCC2)O	EMOLS-id_314254968,PC-id_63934212	271.379	LIHYXEVQJYDHFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021234
CCS(=O)(=O)CCn1ncc2c1CCCCC2N	PC-id_107384509	271.379	HJEIYUQKWHVAQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021235
CCS(=O)(=O)N1CCCc2c(C1)c(n[nH]2)C(C)C	SCHEMBL17465954,PC-id_118684209	271.379	SDZGEPSYZCMMOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021236
CNC1CCCCc2c1cnn2CCS(=O)(=O)C	PC-id_107384501	271.379	KMRFVBKCPYADAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021237
S(c1[nH]c2=CCN(CC=c2n1)Cc1ccccc1)C	PC-id_11832511	271.381	CXVPJEVNHVOVRA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-021238
S=c1[nH]c2c(n1C=Cc1ccccc1)NCCCC2	PC-id_139632617	271.381	HFSIACMCQOHATL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021239
s1c2c(n(CCCCCC(=O)OCC2)c1=S)C	PC-id_11777984	271.399	CMROJNJTWLBHOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021240
Cc1ccc(cc1)Sc1nc2c(s1)C=CCC=C2	PC-id_142096312	271.4	MRSIPZNIKFUQAO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-021241
n1(CC2(CC2)CC#N)cc2c(c1)CCCCC2NCC	PC-id_83213328	271.401	JUMRDJYPJDKOEH-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-021242
c1ccc(cc1)CNCc1cc2c(s1)CCCCC2	EMOLS-id_313612514,PC-id_54888964	271.42	KWCMEJQFKIVWNW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021243
Cc1cccc(c1)C(c1cc2c(s1)CCCCC2)N	PC-id_115790456	271.42	LAXFNQCIYLLQET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021244
Cc1ccccc1C(c1cc2c(s1)CCCCC2)N	PC-id_115795105	271.42	FVPMIQYGBUIYSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021245
Cc1sc2c(c1C)CCN(CC2)Cc1ccccc1	SCHEMBL13560085,PC-id_70936916	271.42	RZLMWCANBLMEES-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021246
CC(=C/C=Cc1c(C)sc2c1N=CC(C=C2)(C)C)C	PC-id_145008581	271.42	GTOPWZMZTDKJCE-VURMDHGXSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021247
CC(C)/C=Cc1c(sc2c1C=CC(C=C2)(C)C)C=N	SCHEMBL20040502,PC-id_134408613	271.42	OTKVQTIHSGJLIW-YKAIFJKNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021248
s1c2c(CCCCC2)cc1C(N)c1ccc(cc1)C	PC-id_43463988	271.42	JIJJVEXNQZIWJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021249
s1c2c(CCCCC2)cc1C(NC)c1ccccc1	PC-id_43481493	271.42	GDXKJLLKQQJCBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021250
s1c2c(CCCCC2)cc1C(N)Cc1ccccc1	PC-id_61078272	271.42	WWCSVZNKULOBTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021251
CSc1sc(c2c1C(=O)CCCC2)C(=S)N	SCHEMBL7464487,PC-id_21184543	271.422	RCYKASBNCVNROT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021252
CCC(CSc1nnc2n1CCCCC2)CS	EMOLS-id_315446596,PC-id_80039910	271.445	YHTKOOVCPMKLLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021253
S(c1n2CCCCCc2nn1)CCCCCS	PC-id_80040722,EMOLS-id_314455832	271.445	GSLMKKXUDLWKJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021254
SCC(CSc1nnc2n1CCCCC2)(C)C	EMOLS-id_314455576,PC-id_80040606	271.445	GCUZEVQYQYNINS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021255
ClCCCC(=O)c1cc2c(s1)C(=O)NCCC2	PC-id_21471762,SCHEMBL8916133	271.763	XIYSKVVRTMVHIK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021256
ClCCCC(=O)c1sc2c(c1)C(=O)NCCC2	PC-id_21472038,SCHEMBL8917631	271.763	SJJVNMFDSTWVJZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021257
ClCCC(=O)c1c2NC(=O)CCCc2sc1C	PC-id_21471943,SCHEMBL8917337	271.763	PQHMKHNEVKUPGP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021258
ClCC(=O)c1cc2c(s1)CN(CCC2)C(=O)C	SCHEMBL8917193,PC-id_21472015	271.763	WIPVNKIUBFRVBV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021259
Cc1cc2c(s1)CCCN(C2=O)CCCCCl	PC-id_19881100,SCHEMBL9039140	271.806	GUEMBBQUGQSRRB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021260
OCCCCCc1c2-c(c(c1)C(=O)OC)ccccc2	PC-id_10038887	272.339	FZGBLGMXMONGHQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021423
CC(CNC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_114296355,EMOLS-id_315663687	271.806	LLEOPXZLKYHRPN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021261
Clc1c2CCNCCc2sc1C(=O)C(C)(C)C	SCHEMBL1181972,PC-id_24783369	271.806	OTZXXKKKCYMAFM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021262
ClCCCCN1c2c(scc2)CCCCC1=O	PC-id_19881040,SCHEMBL9039763	271.806	VCWLOXRXNVJPSM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021263
ClCCCCN1c2c(sc(c2)C)CCCC1=O	PC-id_19881127,SCHEMBL9041061	271.806	DGARCMSZSXQWLR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021264
ClCCCCN1CCCCc2sccc2C1=O	PC-id_85635590	271.806	GTWUBFVWHNAMEM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021265
ClCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_17167555,EMOLS-id_37516286	271.806	SERJFKNYZRWYGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021266
ClCC(NC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_315674948,PC-id_114299460	271.806	CODCUTFFCVLFDB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021267
ClCCN(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_63391613,EMOLS-id_39811957	271.806	ARXJLSINQYUVGS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021268
Clc1sc2c(c1N)CCCCCCCCCC2	PC-id_114749384	271.849	RVHIAHZUPANSIB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021269
ClCc1sc2CCCCCCCCCCc2n1	PC-id_55222728,EMOLS-id_39850914	271.849	MPULLUXKIIWSOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021270
CC1=CC2=NC=C(N2C=CC1)I	PC-id_155163914	271.981	IAPSEGKEJLBYRH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021271
CO[C@@H]1CN=C(C2=CC(=CN2C1)Br)OC	PC-id_165375748	272.016	KGIQBWYJLXYNRZ-MRVPVSSYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021272
CC1(COC2=CSC=C2OC1)COC(=O)C(=O)O	PC-id_146783510	272.035	RUDCGZBYDSZNET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021273
c1cc2c(c(=O)cc1)nc([nH]2)I	SCHEMBL20363021,PC-id_135208143	272.043	GQXWIKPLILHPOI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021274
IC1=NC=CC=Cc2c1noc2	SCHEMBL12560640,PC-id_68317331	272.043	NPWAJKBQZJSKIK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021275
CN1C=C2C(=C1C(=O)O)OC[C@@H](NS2(=O)=O)C=C	PC-id_155253504	272.047	IUYLJNCHRHOIDB-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-021276
CC1(CC(CSC2=CSC=C2SC1)(C)C)C	PC-id_163636758	272.073	IAUDYZSPIQEXTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021277
CC1(I)C=Cc2c(C=C1)cco2	PC-id_143791290	272.082	VIJYYYAZFJXGEQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021278
CC1(I)C=Cc2c(C=C1)nc[nH]2	PC-id_144062020	272.086	MDLRTHOIHRXCPI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021279
C[C@]1(I)C=CC=c2c(=N1)cc[nH]2	PC-id_143590964	272.086	YVGPIYVSFZXWPI-SECBINFHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021280
CCC1(NN(C(=S)NC2=NC(=NN21)SC)C)C	PC-id_154216995	272.088	FODVHCXAESAYKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021281
Brc1oc2c(CCN(CC2=O)C(=O)C)c1	PC-id_82379083	272.095	QEHJCWREDUHEPM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021282
Brc1oc2CCN(CC(=O)c2c1)C(=O)C	PC-id_82379084	272.095	LJIFCQPQGBEZAQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021283
Brc1oc2CN(CCC(=O)c2c1)C(=O)C	PC-id_82379085	272.095	GPTJBMDJZREQNB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021284
BrC1(C(=Nn2c(N(C1=O)C)nnc2)C)C	PC-id_12554246	272.102	QGTAIYYJVRWDAF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021286
Brc1n2N=C(C(C(=O)N(c2nn1)C)C)C	PC-id_12554242	272.102	GPGMFTOZCAMZDH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021287
CC(=O)CCc1ccc2n1B(F)/N=C(C)/C=C(C=C)/C	PC-id_143031739	272.126	CZBMBFINFIEMKP-ZMCMXCHUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021288
C1CNCCC2=C1C=NN2CC3=CC(=CC=C3)[N+](=O)[O-]	PC-id_162027621	272.127	YVPCWDUVUTXYEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021289
CC(C1=NN=C2N1CCCCCC2)NS(=O)(=O)C	PC-id_154742032,EMOLS-id_317779611,MCULE-9041559509	272.131	OVGOOMANAQHHNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021290
Brc1oc2c(C(CN(CC2)C(=O)C)C)c1	PC-id_82379058	272.138	BAKIPSLYHPTWKP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021291
BrC1CCN(C(=O)c2n(nc(c12)C)C)C	PC-id_59908909	272.142	JKZDKKDOODNYCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021292
BrCCC(=O)N1CCCc2c(C1)cn[nH]2	MCULE-8665582779	272.142	FAXFPINZEMYCJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021293
CC(C)N1CCc2cc(Br)nn2CC1=O	MCULE-7551158581,PC-id_135342626,EMOLS-id_317748816,SCHEMBL20516926	272.142	DCIDAHJQZTYCHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021294
CC(C)N1CCn2nc(Br)cc2CC1=O	EMOLS-id_337792937	272.142	DAGJWSRXJWXVDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021295
CN1C(=O)Cn2nc(Br)cc2CC1(C)C	EMOLS-id_337733785,PC-id_135343374,SCHEMBL20517732	272.142	YIUYTRWVVQLLKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021296
O=C(N1CCCc2c(C1)cn[nH]2)C(Br)C	MCULE-1305028494	272.142	QHWCELSZECLNRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021297
Brc1c2n(nc1CC(C)C)CCCNC2	PC-id_83903877	272.185	BAPCURXSMZVTTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021298
Brc1c2n(nc1CC(C)C)CCNCC2	PC-id_83903875	272.185	OIBKGLNXNXXYIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021299
Brc1c2n(nc1C(C)(C)C)CCNCC2	PC-id_83903876	272.185	STKDNOIJTOAMCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021300
Brc1c(nn2c1CNCCC2)C(C)(C)C	PC-id_83903878	272.185	VLWJHJSBSDRJRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021301
C1CCc2nnc(n2CC1)/C(=C(/C(F)(F)F)O)/C#N	CoCoCo_3741838,PC-id_135466060,CK2061036	272.226	SIFLMJWHXCRURS-CLFYSBASSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021302
FC(F)(F)C(=O)C(C#N)c1nnc2CCCCCn12	BindingDB-id_131237,BindingDB_PC-id_40459545,PC-id_40459545	272.226	TZFBKUYPCSKGRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021303
FC(F)(F)C(=O)[C@H](c1n2CCCCCc2nn1)C#N	PC-id_51892468,CoCoCo_3741841	272.226	TZFBKUYPCSKGRO-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021304
FC(F)(F)C(=O)[C@@H](c1n2CCCCCc2nn1)C#N	PC-id_7713750,CoCoCo_3741840	272.226	TZFBKUYPCSKGRO-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021305
OC(=C(c1n2c(CCCCC2)nn1)C#N)C(F)(F)F	MCULE-6746582823	272.226	SIFLMJWHXCRURS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021306
O/C(=C(C#N)/c1nnc2CCCCCn12)/C(F)(F)F	EMOLS-id_45972700,CoCoCo_3741839,PC-id_135439829	272.226	SIFLMJWHXCRURS-VQHVLOKHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021307
[O-][N+](=O)CCc1c2-c(c(c1)C=C[N+](=O)[O-])ccccc2	PC-id_86126394	272.256	IURUBTRKWIYVRW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021308
OC1=C(NC(=O)c2c(N1)n(Cc1ccccc1)cn2)O	PC-id_10468449	272.259	UVFUHAGVJQJVFY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-021309
OC1NC(=O)c2ncn(c2NC1=O)Cc1ccccc1	PC-id_10016058	272.259	XDQQBFPSSVEQIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021310
C1C(COc2cscc2O1)(CC(=O)O)CC(=O)O	PC-id_89672494,SCHEMBL15088217	272.274	XUSJCSOJQCYFPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021311
NNC(=O)c1sc(c2c1OCCCO2)C(=O)NN	PC-id_101228155	272.281	CXSPYHGOPWFJTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021312
CCOC(=O)c1c(CC(=O)OC)cc2-c1ccccc2	PC-id_102293861	272.296	WMKYNPNUHQCXOH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021313
O(c1c2-c(c(c(c2)CC(=O)OC)C(=O)C)cccc1)C	PC-id_14972963	272.296	UJNMOOXMUOBVKM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021314
O(C(=O)c1c2-c(cc1C(=O)OC)ccc(cc2C)C)C	PC-id_14961860	272.296	NLLSLZQRSDZRJJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021315
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccccc2)CC	PC-id_11334768	272.296	RVUQIDQFWHDMPK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021316
O(C(=O)c1c2-c(c(cc(cc2)C)C)cc1C(=O)OC)C	PC-id_11032990	272.296	FFGPGGCGRNKZLM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021317
OC(=O)CCc1c2-c(c(c1)CCC(=O)O)ccccc2	PC-id_5248365	272.296	VIEQLEBQKZBONT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021318
Oc1ccc(ccc1=O)C#Cc1cc2-c(c1)ccccc2	PC-id_101403872	272.297	XPFLFWXJXWEQEB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021319
Oc1ccc(ccc1=O)C#Cc1ccc2-c1ccccc2	PC-id_101438903	272.297	PTKJSWMOYOBIBJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021320
Oc1ccc(ccc1=O)C#Cc1ccc2-c(cc1)ccc2	PC-id_101403871	272.297	IKIVPDKRWDIYDK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021321
Cc1ccnc(O)c1C(=O)N1CCCc2occc2C1	ZINC22_952846154,EMOLS-id_316821231,MCULE-6375124159	272.299	MOGKJDKNGKIDHZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021322
CN1CCCc2c(C1=O)oc(n2)COc1ccccc1	PC-id_89795929,SCHEMBL15246691	272.299	ARJBPCAGYPEFIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021323
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCCO2	SCHEMBL366615,PC-id_66667678	272.299	OUXQMALRTJKJTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021324
COc1ccc(C(=O)N2CCCc3occc3C2)nc1	EMOLS-id_316808441,MCULE-3853122754,ZINC22_1614997506	272.299	UEADEFMKXVUMHF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021325
O1CCN(CC1)CC(=O)c1c2-c([nH]c1=O)ccccc2	PC-id_85517854	272.299	UNLJTDSYTWWYPP-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-021326
o1nc2CCN(CCc2c1C(=O)O)Cc1ccccc1	PC-id_83870730	272.299	IZYOETLMOBJMRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021327
o1nc(c2CCN(CCc12)Cc1ccccc1)C(=O)O	PC-id_83920464	272.299	FHTLCKOESPHRGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021328
Oc1cccc(NC(=O)c2noc3CCCCCc23)c1	CHEMBL1303835,BindingDB_PC-id_4053939,BindingDB-id_90612,PC-id_4053939,ChEMBL-DNDi_CHEMBL1303835	272.299	NGIDRSHKVCGPBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021329
Oc1ccc(nc1)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_319859302	272.299	MJBMKTGANNTOOP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021330
O=c1onc2n1C(COCc1ccccc1)C=CCC2	PC-id_9860290,SCHEMBL6797895	272.299	MUKNLHPQMJFMTD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-021331
OCc1ccc(cn1)C(=O)N1CCCc2c(C1)cco2	MCULE-8546317727,EMOLS-id_319818882	272.299	MIQIMQUJFQJBGO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021332
O=C(c1cncc(c1O)C)N1CCCc2c(C1)cco2	EMOLS-id_99615922	272.299	QSROAGONTANBGC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021333
OCc1nccc(c1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_320331110,MCULE-3390470218	272.299	HUROCLIRSFITOI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021334
O=C(c1ncoc1C1CC1)N1CCCc2c(C1)cco2	EMOLS-id_98651358	272.299	FQXKAKSYJTVKEZ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-021335
O=C(N1CCCc2c(C1)cco2)COc1cccnc1	EMOLS-id_99615925	272.299	CXOAMLFOQNWDSZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021336
OC(=O)C1CCCCn2c1ccc2C(=O)c1ccc[nH]1	SCHEMBL11201532,PC-id_70536148	272.299	KVSXMGUNSLAUFN-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-021337
ON=C(c1c2-c(cc1)ccccc2)c1ccc(cc1)C#N	PC-id_85756777	272.301	VSEVVQXNZKNJKU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-021338
c12C(=O)NCCCc1[nH]c(CCOc1cccnc1)n2	ZINC22_65490710,EMOLS-id_32424310,PC-id_50977831,MCULE-3029608244	272.302	MALVPDNWZMIQLU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021339
C1Oc2c(O1)ccc(c2)CN1CCn2c(CC1)nnc2	CoCoCo_1374643,PC-id_26344267,CoCoCo_1374644	272.302	FSFBPGXQXQBTQZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-021340
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(=O)[nH]1	MCULE-1031149323,EMOLS-id_320102353	272.302	IOIDOXIQOABRQW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021341
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nccc(c1)O	EMOLS-id_319296492	272.302	PADWTMSQELGDET-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021342
Cc1ncc(cn1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100964268	272.302	MWONNKVPFBUZCF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021343
Cc1nccc(n1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101145242	272.302	AZQRAESAQPAQRK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021344
Cc1nn(c2c1C=NC(CO2)COc1cccnc1)C	EMOLS-id_316183410,PC-id_136589788	272.302	KIEFELMPHRBVNI-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-021345
Cn1c(C(=O)N2CCCc3n[nH]cc3C2)cccc1=O	ZINC22_952894200,MCULE-1436628727,EMOLS-id_316182870	272.302	XJEKROQMCOBWTG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021346
CNC1C(=O)N(CCc2c1occ2)Cc1cccnn1	PC-id_23554604,SCHEMBL14172447	272.302	MKWKDOUTJVUMBM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021347
CNC1C(=O)N(CCc2c1occ2)Cc1ccncn1	SCHEMBL14172443,PC-id_23554612	272.302	ZRRQWBDRQSYLPX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021348
CNC1C(=O)N(CCc2c1occ2)Cc1cnccn1	PC-id_23554596,SCHEMBL14172445	272.302	LSVMLTZSVYLOFB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021349
CNC1C(=O)N(CCc2c1ocn2)Cc1ccccn1	PC-id_23554503,SCHEMBL14172388	272.302	DXVIDOMRZBDQCH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021350
CNC1C(=O)N(CCc2c1ocn2)Cc1cccnc1	PC-id_23554515,SCHEMBL14172389	272.302	PSERVIYOVHGVCM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021351
CNC1C(=O)N(CCc2c1ocn2)Cc1ccncc1	PC-id_23554531,SCHEMBL14172381	272.302	SEBWSMAMRRFBKD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021352
CN(C(=O)c1noc2c1CCCCC2)c1ncccn1	EMOLS-id_111028854	272.302	VPNXWSYZFXIQQE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021353
COc1ccc(cc1)C(=O)N1CCn2c(CC1)nnc2	ChEMBL-DNDi_CHEMBL16618443,PC-id_42372793,CoCoCo_1179315	272.302	XIGVWMAOVBFXND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021354
COc1cccc(n1)Cn1nc2c(c1)C(=O)NCCC2	EMOLS-id_319577671	272.302	SKMIPDGVRXEZAY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021355
COc1cccnc1C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318156772	272.302	SAIYKXCXPIQRSR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021356
COc1ccnc(c1)Cn1nc2c(c1)C(=O)NCCC2	EMOLS-id_319130117	272.302	VIYCYUMJNVACAJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021357
COC1CN(Cc2cccn2C1)C(=O)c1ccnnc1	EMOLS-id_50013748	272.302	DKHOSVCSQVVJJO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021358
CO[C@H]1CN(C(=O)c2ccnnc2)Cc2cccn2C1	ZINC22_247822193	272.302	DKHOSVCSQVVJJO-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021359
CO[C@@H]1CN(C(=O)c2ccnnc2)Cc2cccn2C1	ZINC22_247822199	272.302	DKHOSVCSQVVJJO-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021360
Oc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319777595	272.302	OUARVCJMCSLRFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021361
Oc1ccc(cn1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101668248	272.302	JVUIJJCRBFMKMU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021362
Oc1cccnc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671343	272.302	YYKDXFCTEVKMPI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021363
Oc1cncc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671469	272.302	BLNKRYWMDXNFAU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021364
O(C1Nc2n(Cc3ccccc3)cnc2C(=O)NC1)C	PC-id_46866595	272.302	RJASPXXLZRDQAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021365
O(C1N(Cc2ccccc2)c2nc[nH]c2C(=O)NC1)C	PC-id_71770154	272.302	ZXGPGINCDPYONQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021366
OCc1ccc(cn1)C(=O)N1CCCc2c(C1)c[nH]n2	MCULE-8103391803,EMOLS-id_320184823	272.302	YZKCJPXSBYRAEO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021367
O=C(c1ccccn1)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585096676	272.302	AACKPOUCZAGVAN-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021368
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OCC1CCn2nccc2CN1C(=O)c1ccncc1	EMOLS-id_313743541	272.302	ITIOGPXASDNXHU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021372
O=C(c1ccncc1)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585097206	272.302	ITIOGPXASDNXHU-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021373
O=C(c1ccncc1)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585097208	272.302	ITIOGPXASDNXHU-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021374
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OCc1nccc(c1)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319390556	272.302	ZEAXSZLKIYJPDS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021376
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O=C(c1noc2c1CCCCC2)NCc1ccncn1	EMOLS-id_102246810	272.302	OLYWTRXWAYUMSP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021378
O=C(N1CCCc2c(C1)cco2)Nc1ccnc(n1)C	EMOLS-id_99350737	272.302	JQRHAPFJVXYYHX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021379
O=C(N1CCCc2c(C1)cco2)Nc1ccnnc1C	EMOLS-id_99352567	272.302	DKJSAGFICMXGRD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021380
O=C(N1CCCc2c(C1)cco2)Nc1nccc(n1)C	EMOLS-id_318774475	272.302	NMXSNCZSJBNFPY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021381
OC(=O)c1ccnc(c1)CN1CCCn2c(C1)ncc2	PC-id_118421091,SCHEMBL17144722	272.302	FYCIIOYJXJBIBL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021382
[O-][n+]1cccc(c1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_278976084	272.302	GKELJQFMWCSJGV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021383
[O-][n+]1cccc(c1)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_258131998,MCULE-5292199716	272.302	HQLNCQMCYBLLBX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021384
Cc1cccc(n1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166369	272.306	PWZNFKMAQBZDHU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021385
Cc1ccnc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_318997177	272.306	BDOAJCGXMGYAAL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021386
Cc1nnc2CCC(CCn12)NC(=O)c1ccncn1	MCULE-5256706641,EMOLS-id_97080737	272.306	FNILVNZMNJAHES-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021387
Cc1nnc2n1CCC(CC2)NC(=O)c1cnncc1	PC-id_91922610	272.306	KXYSHYSZCRSTCN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021388
Cc1nnc2n1CCC(NC(=O)c1cnccn1)CC2	EMOLS-id_50590183,PC-id_91922568,CHEMBL4532564,MCULE-2871761346	272.306	WQFAZILWACTDCM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021389
CN(C(=O)C1CCn2c(CC1)nnn2)c1cccnc1	MCULE-3811845421,EMOLS-id_316880054	272.306	XBCMMWMUQDMKKP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021390
n12CCNCCc1nnc2CNC(=O)c1ccncc1	MCULE-6887859839,EMOLS-id_68922201,PC-id_118760070,ZINC22_299800019	272.306	YUCWVKBEYXNVDX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021391
O=C(c1nccnc1)NCc1nnc2n1CCCCC2	PC-id_46524800,MCULE-4404645243,EMOLS-id_30745885	272.306	FGGJCPXBFMDJBR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021392
O=C(Nc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102023824	272.306	CYLGKGPXGMQFES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021393
O=C(NCC1CNCc2nccn2C1)c1ccnnc1	EMOLS-id_46148551	272.306	KFKQPXBPDSXRQK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021394
O=C(NCC1CNCc2nccn2C1)c1cnccn1	PC-id_121229452,EMOLS-id_46148549	272.306	BNCGNGFKUVDLCZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021395
O=C(NC[C@@H]1CNCc2nccn2C1)c1ccnnc1	PC-id_97381854,ZINC22_96059201	272.306	KFKQPXBPDSXRQK-JTQLQIEISA-N	00000000100000100101000000000010000000000000000000000000	31-01-021396
O=C(NC[C@H]1CNCc2nccn2C1)c1ccnnc1	ZINC22_96059202,PC-id_97381855	272.306	KFKQPXBPDSXRQK-SNVBAGLBSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021397
O=C(NC[C@@H]1CNCc2nccn2C1)c1cnccn1	PC-id_97381852,ZINC22_96059199	272.306	BNCGNGFKUVDLCZ-JTQLQIEISA-N	00000000100000100101000000000010000000000000000000000000	31-01-021398
O=C(NC[C@H]1CNCc2nccn2C1)c1cnccn1	ZINC22_96059200,PC-id_97381853	272.306	BNCGNGFKUVDLCZ-SNVBAGLBSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021399
O=C(C1CC1(F)F)N1CCCCc2c1sc(n2)C	EMOLS-id_319266234	272.314	DAABOCBUGKDYQC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-021400
O(C(=O)c1c2-c(c(c1)[14C](=O)C)cccc(C(C)C)c2)C	PC-id_9993391	272.316	KRSQRLFKVZGQPY-OZUIXNLOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021401
O=Cc1n[nH]c2c1CCCCC2Cc1ccc(cc1)F	PC-id_145479827	272.317	PQOLLYMZCPKVKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021402
CCS(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_112072663	272.321	QXWVLCSZQKFOFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021403
COC(=O)c1n(C)cc2c1CC[C@@H](NS2(=O)=O)C	PC-id_140762626	272.321	QDLDMGFZGKNNPE-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021404
OC(=O)CCSCC1CCCCc2n1c(=O)on2	PC-id_141976386	272.321	DSQPNLBBZUUQIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021405
[O-][N+](=O)c1cn2c(c1CS(=O)(=O)C)CCCCC2	PC-id_102139692	272.321	KAPRCRQIUKNGEC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021406
c1ccc(cc1)CC1C(=O)Nc2c(C(=O)N1)scc2	PC-id_135007679	272.322	KIHYZNZZOMNSOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021407
C1C(=O)Nc2c(C(=O)N1Cc1ccccc1)scc2	PC-id_135039010	272.322	PDKRXWIZXRRGPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021408
O=C1CN(Cc2ccccc2)C(=O)c2c(N1)scc2	PC-id_102035521	272.322	BYKDWXJNJADKAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021409
O=C1Nc2sccc2C(=O)NC1Cc1ccccc1	SCHEMBL6633350,PC-id_18422658	272.322	MEGRCPBDGTUOLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021410
s1c2c(NC(=O)[C@@H](NC2=O)Cc2ccccc2)cc1	PC-id_16122351	272.322	KIHYZNZZOMNSOO-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-021411
s1c2N(Cc3ccccc3)C(=O)CC(=O)Nc2cc1	PC-id_15833197	272.322	HWNPOXXWSLTBPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021412
CN(C)S(=O)(=O)Cc1nc2c(CCCNC2=O)[nH]1	ZINC22_65383778,MCULE-5473184912,PC-id_50955283,EMOLS-id_32381722	272.324	QJUBVFGQSJQXEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021413
N#Cc1cn[nH]c1C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_320337173,MCULE-7150292852	272.326	YSETVCCRIPCDHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021414
N#Cc1ccnc(n1)Sc1nnc2n1CCCCC2	PC-id_107551329	272.329	QNZXZWKAXKZFDL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021415
N#Cc1cnc(Sc2nnc3n2CCCCC3)cn1	PC-id_64271748,ZINC22_71179384,EMOLS-id_110169136	272.329	AXZHKEHIURRSKA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021416
S(c1n2CCCCCc2nn1)c1nccnc1C#N	PC-id_62684729	272.329	WTDURXIYTMDJHG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021417
S(c1n2CCCCCc2nn1)c1nnccc1C#N	PC-id_80514312	272.329	BWYVTYRFKCIBSV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021418
CCCCCc1ccc2-c1cc(ccc2)OC(=O)OC	PC-id_17776168,SCHEMBL8335075	272.339	XAVHQILXFCGMBZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021419
CCCCCOc1cc(ccc2-c1ccc2)CC(=O)O	SCHEMBL8333440,PC-id_67554261	272.339	BVMPFSAMDDVIKL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021420
COC(=O)Oc1cccc2-c(c1)c(CCC(C)C)cc2	SCHEMBL8337547,PC-id_17776148	272.339	NCDPCXXDDGKYQB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021421
OCCc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2	PC-id_10084626	272.339	LAHHKNQZKMHRGA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021422
O(C(=O)c1c2-c(c(c1)CCO)cccc(C(C)C)c2)C	PC-id_10378543	272.339	GDEWANYOYHHNDJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021424
O(C(=O)c1c2-c(c(CCCC)c1)ccccc2)CCO	PC-id_10038888	272.339	XFODNGDTWKLSAR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021425
OC(=O)C(Cc1ccc(cc2-c1ccc2C)C(C)C)O	PC-id_101798386	272.339	SHWBFLKGLYMVHN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021426
CC(c1n[nH]c2CCCCCc12)c1ccc(O)c(O)c1	EMOLS-id_337935126	272.342	QNEXNNYXFWEAGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021427
CCN(CCn1c(=O)c(c2-c1ccccc2)C=O)CC	SCHEMBL13042318,PC-id_59563861	272.342	HXGCIVISPPOMEX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021428
N#CC1(CCCCC1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_102573447	272.342	RLSIHXNZOKOQKU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-021429
OC1c2c(CCCC1)cn(c2)Cc1c(OC)nccc1	PC-id_83208152	272.342	VXVFKUUVKWFDST-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021430
OC1c2c(CCCC1)cn(c2)Cc1nc(OC)ccc1	PC-id_83208544	272.342	KCVBNQVJJQYHTR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021431
OC1c2c(CCCC1)cn(c2)CCn1c(=O)cccc1	PC-id_83209175	272.342	HFOFUPLNEKWMAC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021432
OCCC(n1[nH]c2c(c1=O)cccccccc2)CC	PC-id_144145790	272.342	GYJDSAHSMKXAFZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021433
OC(CN1CCCCC1)c1c2-c([nH]c1=O)ccccc2	PC-id_85517864	272.342	JWRCGHIBXMLYRE-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-021434
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)ccn1C	MCULE-8869909626,EMOLS-id_319986008	272.345	DVFJEIBRLPJUCD-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-021435
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn(c1C)C	EMOLS-id_318895362	272.345	CJLKSESSUYJNEY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-021436
CC1CN(Cc2ccn(c(=O)c2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319134853	272.345	IOQOAOMIZRJRPF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021437
CC1CN(Cc2nc(C)ccc2O)Cc2c(C1)[nH]nc2	EMOLS-id_319954601,MCULE-1456518486	272.345	DJHIROFNXHNCSZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021438
COc1nn(c2c1CCCN(C2)Cc1ccncc1)C	PC-id_97515477	272.345	JOGVVTASIKVXJK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021439
COc1nn(C)c2c1CCCN(Cc1ccccn1)C2	PC-id_97413463,ZINC22_96094509,EMOLS-id_46194464	272.345	XIQILQJWZDNNMJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021440
COc1nn(C)c2c1CCCN(Cc1cccnc1)C2	EMOLS-id_44366568,ZINC22_96254425,PC-id_97515476	272.345	VXFLMEZXQLAYDS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021441
COCC1CN(Cc2ccccn2)Cc2nccn2C1	EMOLS-id_46148425	272.345	DDSNQZXLARIRNR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021442
COCC1CN(Cc2cccnc2)Cc2nccn2C1	EMOLS-id_46148427	272.345	VSPIAIQDGXGGNY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021443
COCC1CN(Cc2ccncc2)Cc2nccn2C1	EMOLS-id_46148429	272.345	LGIDBKLAKMKGJK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021444
COC[C@H]1CN(Cc2ccccn2)Cc2nccn2C1	PC-id_97381728,ZINC22_96059075	272.345	DDSNQZXLARIRNR-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021445
COC[C@@H]1CN(Cc2ccccn2)Cc2nccn2C1	PC-id_97381729,ZINC22_96059076	272.345	DDSNQZXLARIRNR-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021446
COC[C@H]1CN(Cc2cccnc2)Cc2nccn2C1	PC-id_97381730,ZINC22_96059077	272.345	VSPIAIQDGXGGNY-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021447
COC[C@@H]1CN(Cc2cccnc2)Cc2nccn2C1	ZINC22_96059078,PC-id_97381731	272.345	VSPIAIQDGXGGNY-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021448
COC[C@H]1CN(Cc2ccncc2)Cc2nccn2C1	PC-id_97381732,ZINC22_96059079	272.345	LGIDBKLAKMKGJK-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021449
COC[C@@H]1CN(Cc2ccncc2)Cc2nccn2C1	ZINC22_96059080,PC-id_97381733	272.345	LGIDBKLAKMKGJK-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021450
O=C1c2c(CCCC1)cn(c2)Cc1n(ncn1)C(C)C	PC-id_83205576	272.345	AARGNCHINLVLNB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021451
c12CN(CCCn1nc(CO)c2)Cc1cccc(C)n1	MCULE-8730704335,ZINC22_221421338,PC-id_90653697,EMOLS-id_50549217	272.346	BDMQMNMGVOVUKE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021452
c1(C(=O)NCc2cccn2C)c2CCCCCc2n[nH]1	STOCK7S-45774,MCULE-7778722572,PC-id_75489039,EMOLS-id_49246078,EMOLS-id_50400486,ZINC22_96223777	272.346	YTEAJZHVYIKRIR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-021453
c1(C(=O)NCCn2cccc2)c2CCCCCc2[nH]n1	MCULE-2897110818,EMOLS-id_323253680	272.346	OCFRLCSNRLVVPT-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-021454
C1n2c(nnc2CCCC1)CNc1cc(OC)ccc1	PC-id_2386043,EMOLS-id_2701514,MCULE-2438620238,CoCoCo_2580173,ZINC22_3269721,CHEMBL1570133	272.346	KSGAOOFLLRQUFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021455
Cc1cccc(CN2Cc3ccnn3CCC2CO)n1	EMOLS-id_313820448	272.346	XMQVMGGHGIPGJK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021456
Cc1cccc(CN2Cc3ccnn3CC[C@H]2CO)n1	ZINC22_585098398	272.346	XMQVMGGHGIPGJK-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021457
Cc1cccc(CN2Cc3ccnn3CC[C@@H]2CO)n1	ZINC22_585098400	272.346	XMQVMGGHGIPGJK-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021458
Cc1ccc(c(n1)CN1CCCc2c(C1)cnn2C)O	EMOLS-id_101844715	272.346	QEPUDEGRXGYEKB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021459
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(n1cccc1)C	MCULE-6063102201,EMOLS-id_320243116	272.346	DAUAHQTZOGGCBX-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-021460
CC1CN(Cc2coc(n2)C2CC2)Cc2c(C1)[nH]nc2	EMOLS-id_319181518	272.346	BDZCKUQDHRTSPY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-021461
CC1CN(Cc2onc(c2)C2CC2)Cc2c(C1)[nH]nc2	EMOLS-id_319710966	272.346	JZPRHCLZGNGPEG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-021462
CCc1cccn(c1=O)Cc1nnc2n1CCCCC2	EMOLS-id_318767594	272.346	MUXKYDZERZUKSF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021463
CCc1cn(ccc1=O)Cc1nnc2n1CCCCC2	EMOLS-id_318806009	272.346	UISSQKGGLJUNKI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021464
CC(C)N1Cc2cccn2C[C@H](Oc2ncccn2)C1	ZINC22_585112960	272.346	XDQXLZWDOQMTBV-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021465
CC(C)N1Cc2cccn2C[C@@H](Oc2ncccn2)C1	ZINC22_585112963	272.346	XDQXLZWDOQMTBV-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021466
C[C@@H](NCc1nnc2n1CCOCC2)c1ccccc1	ZINC22_1614994719,MCULE-5456535498,EMOLS-id_320297934	272.346	GYYODYPCYLRFMQ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021467
S(CCc1c2-c(c(c1)C(=O)O)ccccc2)CC=C	PC-id_85570893	272.362	KTBKUBONDLTRAO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021511
Cn1ncc2c1CCCN(C(=O)CC1(C#N)CCC1)C2	ZINC22_952887280,EMOLS-id_316157265,MCULE-7250626488	272.346	MMZHNVIFWCEOBL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-021468
COc1ccccc1CNc1nnc2n1CCCCC2	PC-id_4752572,ZINC22_8496025,MCULE-7674243737	272.346	IOSLXRXUWZYQKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021469
COc1ccccc1NCc1nc2n(n1)CCCCC2	ZINC22_28527791,PC-id_16458759,MCULE-8969527166,CoCoCo_6601908	272.346	ZYJQXBIIMBRVKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021470
COc1ccccc1NCc1nnc2CCCCCn12	EMOLS-id_2701512,PC-id_7177804,CoCoCo_2580170,ZINC22_4303630,CHEMBL1363039,MCULE-2671106855	272.346	CKZRPVHYDZCOPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021471
COc1cccc(CNc2nnc3n2CCCCC3)c1	PC-id_4752598,ZINC22_8494685,MCULE-4609851116	272.346	DGJPZJNHVARWQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021472
COc1ccc(CNc2nnc3n2CCCCC3)cc1	ZINC22_1468166,PC-id_1538855,MCULE-7207823380	272.346	FMUYMOBWEIBUCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021473
COc1cccc(NCc2nc3n(n2)CCCCC3)c1	ZINC22_28527801,MCULE-3844427462,PC-id_16458764,CoCoCo_6601913	272.346	JTFHBGVVBFFZCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021474
COc1ccc(NCc2n3c(CCCCC3)nn2)cc1	CoCoCo_3698816,PC-id_2311140,MCULE-4674563295,ZINC22_3172605,EMOLS-id_829403	272.346	AWKXJCLYDTZUDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021475
COc1ccc(NCc2nc3CCCCCn3n2)cc1	PC-id_16458526,MCULE-8186122186,CoCoCo_6600632,ZINC22_28527171,EMOLS-id_32193098	272.346	SLHYMVIJYGOCHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021476
N#CC1(CCCC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318778865	272.346	KDLRBQNNJOLTSA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-021477
NCc1ccc(cc1)OCc1nnc2n1CCCCC2	EMOLS-id_318167954,MCULE-4501372921	272.346	VGPLWESUXJTGMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021478
NCc1cccc(c1)OCc1nnc2n1CCCCC2	MCULE-3427770805,EMOLS-id_318366390	272.346	JWPKYGBKYZIQRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021479
N#CCC1(CC1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	MCULE-5372828186,EMOLS-id_320268364	272.346	FSLQHGBZACGNCD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-021480
o1nc(nc1C1CC1)Cn1cc2C(N)CCCCc2c1	PC-id_83209633	272.346	GNRLRPZYDMLREG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-021481
o1nc(nc1Cn1cc2C(N)CCCCc2c1)C1CC1	PC-id_83209242	272.346	SUCKNXFYNBQABS-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-021482
O=C1c2c(CCCC1)cn(c2)Cc1n(ncn1)CCC	PC-id_83206149	272.346	DGGIKRXUFMNEQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021483
Oc1ccc(CC(N)c2n3CCCCCc3nn2)cc1	PC-id_43325961	272.346	OPDPIJOVZNTGGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021484
O(c1ccc(CN2CCn3c(nnc3)CC2)cc1)CC	PC-id_56853495	272.346	RQOSPHXGPNRMKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021485
OCc1ncn2c1CN(CCC2)Cc1cccc(n1)C	PC-id_97405847	272.346	JTBFOWKSSBPOMU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021486
C1CCn2c(CC1)nnc2CN1CCc2c(C1)cn[nH]2	EMOLS-id_110739028	272.349	ZOHDLUYVZQKTGF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-021487
C1CCn2c(CC1)nnc2CN1CCc2c(C1)[nH]cn2	EMOLS-id_318330920	272.349	NWIRPICDOGKBQC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-021488
N(CCN(CC)c1nc2-c(n1)ccccc2)(CC)CC	PC-id_85672483	272.389	BSQSKPLHNIIYLW-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-021579
C1CCn2c(CC1)nnc2CN1CCCc2c1c[nH]n2	EMOLS-id_100957332	272.349	CZCBMVHDBMMTIC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-021489
c1cnn(Cc2nnc3n2CCCN(CC2CC2)C3)c1	PC-id_97519739,ZINC22_96259657,EMOLS-id_44370858	272.349	JSCOYWPJIAMGEV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-021490
c1cnn(Cc2nnn3c2CN(CC2CC2)CCC3)c1	ZINC22_96259534,PC-id_97519616,EMOLS-id_44370616	272.349	WOSSPOHAPNEUDM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-021491
Cc1cc(C)nc(NCc2nnc3CCCCCn23)n1	ZINC22_32547778,CoCoCo_1385467,EMOLS-id_25612183,MCULE-6732261443,PC-id_39791155	272.349	KIAXTGWDRUXKNU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021492
Cc1cnc(c(n1)NCc1nnc2n1CCCCC2)C	EMOLS-id_318122702,MCULE-6474148678	272.349	YBIRLFQWZWYEMT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021493
Cc1nc(ncc1C)NCc1nnc2n1CCCCC2	EMOLS-id_318095970,MCULE-7083824073	272.349	JCYHCDAIQQRSON-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021494
C=Cn1cc(CNCc2nnc3n2CCCCC3)cn1	ZINC22_194177399,MCULE-9434804498,EMOLS-id_73054063,PC-id_121534890	272.349	RZFKBICTTGEYHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021495
CNc1ccccc1CNC1CCc2nnnn2CC1	MCULE-3594277625,PC-id_136569689,EMOLS-id_316939511	272.349	IHZAJJRMUALAQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021496
CNc1ccccc1CN[C@@H]1CCc2nnnn2CC1	ZINC22_902600934	272.349	IHZAJJRMUALAQZ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021497
CNc1ccccc1CN[C@H]1CCc2nnnn2CC1	ZINC22_902600935	272.349	IHZAJJRMUALAQZ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021498
n12CCCCCc1nnc2C(NCc1cncnc1)C	PC-id_62761008	272.349	TVBQBRIVHZPYNO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021499
n12CCCCCc1nnc2C(NCc1nccnc1)C	PC-id_62762010	272.349	NRCZGABXUVMESH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021500
n12CCCCCc1nnc2C(NCc1ncncc1)C	PC-id_62748009	272.349	NBGHBUHSWCKQLT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021501
CC(C)(c1n[nH]c2CCCCCc12)c1ccccc1F	EMOLS-id_337933077	272.36	UBHIRAYTWCUKGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021502
CC(C)(c1n[nH]c2CCCCCc12)c1cccc(F)c1	EMOLS-id_337935381	272.36	RWBBOBSWESVJMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021503
CC(C)(c1n[nH]c2CCCCCc12)c1ccc(F)cc1	EMOLS-id_337933590	272.36	CTGJQVIDQPFCEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021504
Fc1ccc(c(c1)C)Cn1cc2c(c1)CCCCC2N	PC-id_114346689	272.36	UGRCOWIQLMXMMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021505
Fc1ccc(c(c1)Cn1cc2c(c1)CCCCC2N)C	PC-id_105372684	272.36	MEBGQEZSXJIJFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021506
Fc1ccc(Cn2cc3C(NC)CCCCc3c2)cc1	PC-id_83208467	272.36	XAYBTMHYPAGXPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021507
Fc1cc(Cn2cc3C(NC)CCCCc3c2)ccc1	PC-id_83208893	272.36	ZNFBVCNNELGPCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021508
Fc1c(Cn2cc3C(NC)CCCCc3c2)cccc1	PC-id_83207970	272.36	PWIFEJYGBNPNRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021509
s1cc2OCC(OCCCCCCO)COc2c1	PC-id_85730264	272.361	ZUJSYCRJQLLWKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021510
CCS(=O)(=O)CCn1nc2c(c1O)CCCCC2	EMOLS-id_314643011	272.364	QNLLAYNHNPNWEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021512
S(=O)(=O)(CCn1[nH]c2c(CCCCC2)c1=O)CC	PC-id_66020917	272.364	SSLLDFDADUFQNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021513
c1(cc2c(CCCCC2)s1)C(=O)Nc1cccnc1	TIMTEC189730,EMOLS-id_20383618,CoCoCo_1070450,PC-id_25237035,ZINC22_15096840,MCULE-4397577956	272.365	HFOUWVBAAYWMHG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021514
c1(cc2c(CCCCC2)s1)C(=O)Nc1ccncc1	EMOLS-id_14094140,CoCoCo_1066951,ZINC22_16580011,PC-id_17248970,MCULE-3317950432,TIMTEC108678	272.365	CSWMCUBGPYYGTD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021515
C1CCc2cs[n+](c2CC1)/N=C(/c1ccccc1)[O-]	PC-id_134908059	272.365	PBLLDJLWERPZQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021516
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccccc1	EMOLS-id_320217515,MCULE-6219906700	272.365	YQNCEZIYBCAJGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021517
CCC(=CC)c1ccccc2-c1c(c([s+]2)C(=O)[NH-])N	PC-id_137218529	272.365	ZNOPLBAHUSJBIQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021518
CC/C(=C/C)/C1=CC=C=Cc2c1c(N)c(s2)C(=O)N	SCHEMBL18849154	272.365	HRYSLIXLFVZQTM-OQFOIZHKSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021519
Nc1ccccc1C(=O)N1CCCCc2c1ccs2	PC-id_67694218,SCHEMBL8797210	272.365	APSHWPHLGGWINT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021520
Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	SCHEMBL6985203,PC-id_21467142	272.365	KHWSNGDQWFONLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021521
O=C(c1ccccc1)Nc1sc2c(CCCCC2)n1	CoCoCo_4546038,PC-id_25540945,MCULE-5085606377,ZINC22_12828286,EMOLS-id_24134964	272.365	BHCGTNMXYWFROE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021522
O=C(C1CCNCc2c1ccs2)Nc1ccccc1	SCHEMBL4871377,PC-id_69223998	272.365	ONXGERGFRPGJRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021523
O=C(Nc1ccccn1)c1cc2c(s1)CCCCC2	ZINC22_27653660,EMOLS-id_24965729,MCULE-6814254557,CoCoCo_3917366,PC-id_35034850	272.365	JRALFXFCTWWALI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021524
s1c2CCCCN(c2cc1)C(=O)Nc1ccccc1	PC-id_85857749	272.365	MIWHPRGNGQHJKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021525
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)NC(C)C	EMOLS-id_319887932,MCULE-7613088061	272.367	BJDVRWDENLZEHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021526
CC1CN(CCNS(=O)(=O)C)Cc2c(C1)[nH]nc2	MCULE-8113332149,EMOLS-id_319922742	272.367	RSBNRXGFJBMPEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021527
CCCNS(=O)(=O)N1CCCc2c(cnn2C)C1	ZINC22_333382075,EMOLS-id_101951019,MCULE-6270628901	272.367	NQFLAJNGXIZRBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021528
CC(NS(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101950773	272.367	HJMHNGQTUNOIAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021529
CCN(S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_318771044	272.367	NIMSACGJQJCRCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021530
CN(C)CC1CCn2nccc2CN1S(=O)(=O)C	EMOLS-id_313818924	272.367	GGKPCTDEWUNSEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021531
CN(C)Cc1cnc2CCN(CCn12)S(=O)(=O)C	EMOLS-id_46161787,ZINC22_96067875,PC-id_97390181	272.367	MCJOQPGZHMLVOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021532
CN(C)C[C@H]1CCn2nccc2CN1S(=O)(=O)C	ZINC22_585096972	272.367	GGKPCTDEWUNSEE-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021533
CN(C)C[C@@H]1CCn2nccc2CN1S(=O)(=O)C	ZINC22_585096973	272.367	GGKPCTDEWUNSEE-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-021534
NC(c1nnc2n1CCCCC2)CCS(=O)(=O)C	EMOLS-id_314632733,PC-id_43142844	272.367	OFOVBCXPZMSBPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021535
S(=O)(=O)(NC(c1n2CCCCCc2nn1)C)CC	PC-id_64585331	272.367	DLCHXEPLVMSFFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021536
Cn1nc(C#N)c2c1CN(Cc1ccsc1)CCC2	ZINC22_96254402,EMOLS-id_44366538,PC-id_97515454	272.369	GFXDSWYSJOTMAK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-021537
c12-c(c(cc(cc1C)C)C)ccc2/C=C/c1ccccc1	LI_149831,CoCoCo_5487965,PC-id_5980359	272.384	VLWBSTNHVDOSMJ-MDZDMXLPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-021538
c12-c(c(cc(cc1C)C)C)ccc2C=Cc1ccccc1	PC-id_289833	272.384	VLWBSTNHVDOSMJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-021539
Cc1cc(C)c2-c(c(c1)C)ccc2/C=Cc1ccccc1	NSC152137,CoCoCo_5487964	272.384	VLWBSTNHVDOSMJ-KTKRTIGZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-021540
CC(c1cc(c2-c1ccccc2)C#CC1C=CC=C1)(C)C	PC-id_101439446	272.384	QWGKGUSKEACGDN-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-021541
CC1CCC(CC1)OC1=c2c(n[nH]c2=CC=CC1C)C	PC-id_91600958	272.385	NPOFJHHYOSNWEM-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-021542
Cc1n[nH]c2=CC=CCCC(=c12)OC1CCCCCC1	PC-id_144055319	272.385	KPRMZSVFRHEIMT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021543
N#CC(CCCCn1cc2c(c1)CCCCC2=O)(C)C	PC-id_106713502	272.385	HELSRRMFKHBSJM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021544
O=C(c1ccccc1)C[n+]1c2c(CCCCC2)sc1	ZINC22_90225645,MCULE-2411598994,PC-id_71758757	272.385	KEBYGQCUUMQXDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021545
C1=CC[C@H]2CN(Cc3cc4n(n3)CCCNC4)C[C@H]2C1	ZINC22_72156679,PC-id_56907306,EMOLS-id_43151514,MCULE-2492413002	272.389	MJZXMDIEYOKELN-OKILXGFUSA-N	00000010100011000101000000000110000000000000000000000000	31-01-021546
C1CCn2c(CC1)nnc2CCNC1C[C@H]2[C@@H]1CC=C2	EMOLS-id_319189100	272.389	XJLYOTPBCLEHPP-RFHHWMCGSA-N	00001011100000000101001000000010000000000000000000000000	31-01-021547
C1CCn2c(CC1)nnc2CNCC1CC2CC1C=C2	PC-id_119109261,EMOLS-id_50960559,MCULE-7541215605	272.389	SYMCYAQVHICYFG-UHFFFAOYSA-N	00000011100000000101000000000110000000000000000000000000	31-01-021548
CC1(C)[C@@H]2CC=C([C@H]1C2)CN1CCn2c(CC1)nnc2	CoCoCo_1312559,CoCoCo_1312560	272.389	XWXUJQOBJGHUBV-ZIAGYGMSSA-N	00001000100011000101001000000010000000000000000000000000	31-01-021549
CC1(C)[C@H]2CC=C(CN3CCc4nncn4CC3)[C@@H]1C2	CoCoCo_1312561,MCULE-5435260419,CoCoCo_1312562,ZINC22_12124548,EMOLS-id_26001907,PC-id_42418690	272.389	XWXUJQOBJGHUBV-KBPBESRZSA-N	00001000100011000101001000000010000000000000000000000000	31-01-021550
CC(=C)[C@H]1CCC(=CC1)CN1CCc2nncn2CC1	PC-id_42449719,CoCoCo_1163774,ZINC22_12185121,CoCoCo_1163776,EMOLS-id_232708129,MCULE-9951169742	272.389	AUPQFNAHBBDRMM-OAHLLOKOSA-N	00000000100011000101000000000010000000000000000000000000	31-01-021551
CC(=C)[C@@H]1CCC(=CC1)CN1CCn2c(CC1)nnc2	CoCoCo_1163775,CoCoCo_1163777	272.389	AUPQFNAHBBDRMM-HNNXBMFYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-021552
CN1CCCN(C(C1)C)Cc1n[nH]c2c1C=CC=CC2	PC-id_144144911	272.389	HRMKTRDOSJYYNY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021553
CNC1CCCCc2c1cn(c2)CCc1ccnn1C	PC-id_103005645	272.389	IOMKMLIXDWEPGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021554
CNC1CCCCc2c1cn(c2)CCc1cnn(c1)C	PC-id_103005644	272.389	QFOTXEFZVHWCSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021555
CNC1CCCCc2c1cn(c2)CCc1nccn1C	PC-id_114528963	272.389	GZZYZNBPABAZIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021556
N1(CC2C(C1)CC=CC2)Cc1nn2c(c1)CNCCC2	PC-id_76437897	272.389	MJZXMDIEYOKELN-UHFFFAOYSA-N	00000010100011000101000000000110000000000000000000000000	31-01-021557
N1(CC2=CCC3C(C2C3)(C)C)CCn2c(nnc2)CC1	PC-id_74801623	272.389	XWXUJQOBJGHUBV-UHFFFAOYSA-N	00001000100011000101001000000010000000000000000000000000	31-01-021558
N1(CC2=CCC(CC2)C(=C)C)CCn2c(nnc2)CC1	PC-id_74804116	272.389	AUPQFNAHBBDRMM-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-021559
n1(cc2C(N)CCCCc2c1)Cc1n(CCC)cnc1	PC-id_83208782	272.389	ZDMBKBMJKGUYRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021560
n1(cc2C(N)CCCCc2c1)Cc1n(C(C)C)cnc1	PC-id_83208946	272.389	COCMFUYTFODABQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021561
n1(cc2C(N)CCCCc2c1)Cc1n(nc(c1)CC)C	PC-id_83208864	272.389	FRFPTHCYPMFJAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021562
n1(cc2C(N)CCCCc2c1)Cc1n(nc(c1)C)CC	PC-id_83208938	272.389	KNCCHRCKJSIQND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021563
n1(cc2C(N)CCCCc2c1)Cc1nn(C(C)C)cc1	PC-id_83208299	272.389	CWPHRUIJFBJINP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021564
n1(cc2C(NC)CCCCc2c1)Cc1cn(nc1)CC	PC-id_83208071	272.389	IOKQSDQHYPEVTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021565
n1(cc2C(NC)CCCCc2c1)Cc1n(CC)ccn1	PC-id_83208828	272.389	TUXUYKFIZNZYJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021566
n1(cc2C(NC)CCCCc2c1)Cc1n(CC)cnc1	PC-id_83207888	272.389	NXQSYAXATSRQMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021567
n1(cc2C(NC)CCCCc2c1)Cc1n(nc(c1)C)C	PC-id_83209078	272.389	GPSKIKOJJMGYHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021568
n1(cc2C(NC)CCCCc2c1)CCCn1ccnc1	PC-id_83208065	272.389	UAJOKPMIAMITKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021569
n1(cc2C(NC)CCCCc2c1)CCn1c(ncc1)C	PC-id_83207987	272.389	OZDRDDDGNXSMFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021570
n1(cc2C(NCC)CCCCc2c1)Cc1cn(nc1)C	PC-id_83212416	272.389	VNIGXBFYXKFGEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021571
n1(cc2C(NCC)CCCCc2c1)Cc1n(ccn1)C	PC-id_83212419	272.389	GUKPOSAYMNBNDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021572
n1(cc2C(NCC)CCCCc2c1)Cc1n(cnc1)C	PC-id_83212665	272.389	AOCDAECWYSTVCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021573
n1(cc2C(NCC)CCCCc2c1)Cc1nn(cc1)C	PC-id_83213002	272.389	MXNCUAQUHUQTIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021574
n1(cc2C(NCC)CCCCc2c1)CCn1ccnc1	PC-id_83212587	272.389	WLOXCBMPGWONKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021575
n1(cc2C(NCC)CCCCc2c1)CCn1nccc1	PC-id_83208832	272.389	JXDPWSWCGWQFAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021576
N(C1C2C(C1)CC=C2)C(c1n2CCCCCc2nn1)C	PC-id_43791292	272.389	RXKLBMKEQZJYLJ-UHFFFAOYSA-N	00001011100000000101001000000010000000000000000000000000	31-01-021577
N(CCCCNc1nc2-c(n1)ccccc2)(CC)CC	PC-id_85672496	272.389	IMENTCZIYZDBCE-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-021578
CCC1(Nc2nc(nn2C(=S)N(N1)C)SC)C	PC-id_135798412	272.394	CZBMTAICOCBAMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021580
Cc1cccc(c1)C(c1cc2c(s1)CCCCC2)O	PC-id_114978022	272.405	OLMRZBWBLVPJMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021581
Cc1ccccc1C(c1cc2c(s1)CCCCC2)O	PC-id_114979202	272.405	JQRNTYRPUSTEGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021582
s1c2c(CCCCC2)cc1C(O)c1ccc(cc1)C	PC-id_61101595	272.405	MCHFMGWYIWSDSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021583
s1c2c(CCCCC2)cc1C(O)Cc1ccccc1	PC-id_63016232	272.405	VCFNEYHIXACOOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021584
S(c1oc(c2CCCCCc12)CC)c1ccccc1	PC-id_24976165	272.405	VMMLBPBULZHMDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021585
S(C(=O)Cc1c2-c(c(cc(c1)C)C)ccc2)C(C)C	PC-id_85868704	272.405	VOHUZIADZHTCKW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021586
c1ccc(cc1)CNc1sc2c(n1)CCCCCC2	EMOLS-id_96717077	272.408	ZBHJGYVLQRIXRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021587
c1(C(N)c2ccc(cc2)C)sc2c(CCCCC2)n1	MCULE-7719056277,PC-id_83342865	272.408	ADLWMZZDXCNARP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021588
Cc1ccc(cn1)C(c1cc2c(s1)CCCCC2)N	PC-id_115855038	272.408	KNHYBXJXYKVUQZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021589
Cc1ccncc1C(c1cc2c(s1)CCCCC2)N	PC-id_105006609	272.408	MCOJTKQWIKDCDU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021590
Cc1cncc(c1)C(c1cc2c(s1)CCCCC2)N	PC-id_105023258	272.408	FVXWGDLIXWHPAR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021591
CCC(c1nc2c(s1)NCCCC2)c1ccccc1	SCHEMBL8313628,PC-id_15069523	272.408	SLLKONTZQXTCJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021592
CNC(c1cc2c(s1)CCCCC2)c1cccnc1	PC-id_115799545	272.408	KABOBCDTAULJEG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021593
n1c2CCCCCc2sc1Cc1ccc(cc1)CN	PC-id_83342862,MCULE-8365983312	272.408	BRSVGCYAKKAXLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021594
n1c(CNCc2ccccc2)sc2CCCCCc12	MCULE-7341334412,PC-id_46784956	272.408	ZEUOBFCJSWWXTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021595
NC(c1cc2c(s1)CCCCC2)Cc1cccnc1	PC-id_105034747	272.408	ASCKOUKUZWMUJB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021596
NNC(c1cc2c(s1)CCCCC2)c1ccccc1	PC-id_105282868	272.408	KOGBCBYZXCJPIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021597
s1c2c(CCCCC2)cc1C(N)Cc1ccncc1	PC-id_65582326	272.408	JIHLVTWMRDONKY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021598
s1c2c(CCCCC2)cc1C(N)Cc1ncccc1	PC-id_43118804	272.408	CQUSYCLICFAOAX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021599
s1c2CCCCCc2nc1CC(N)c1ccccc1	PC-id_83342854	272.408	QCYJICJFRDTMIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021600
s1c2CCCCCc2nc1[C@@H](N)Cc1ccccc1	PC-id_83342859	272.408	GNUVLMIOMJQTMT-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021601
s1c2CCCCCc2nc1C(N)c1c(cccc1)C	PC-id_83342868	272.408	XBJGHCWTRSSVTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021602
s1c2CCCCCc2nc1C(N)c1cc(ccc1)C	PC-id_83342871	272.408	YCZJHZTVNULLHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021603
s1c2CCCCCCc2nc1Cc1ccc(N)cc1	PC-id_65720595	272.408	KVPSQDGAHUXUOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021604
s1c2CCCCCCc2nc1C(N)c1ccccc1	PC-id_61337304	272.408	IQVZZRFPYHKEEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021605
CCC(c1cnc2n1C=CC(C=C2)(C)C(C)(C)C)(C)C	PC-id_143322098	272.428	RDPPYVDVMCRNPQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021606
n1(CC2C3CC(C2)CC3)cc2c(c1)CCCCC2NC	PC-id_83209255	272.428	LCEYKTLBNMXFIX-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-021607
[N+](Cc1c2-c(c(C[N+](C)(C)C)c1)ccccc2)(C)(C)C	PC-id_12396170	272.428	MXIKREYBPDBLNN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021608
[N+](Cc1cc(C[N+](C)(C)C)cc2-c(c1)ccc2)(C)(C)C	PC-id_12948820	272.428	ZFLTYSHQFJQDKK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021609
NC1CCCCn2c(=S)sc(CCOC1)c2C	PC-id_101926073	272.43	WUJNRISWJZRYLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021610
S(Cc1c2-c(c(cc(C(C)(C)C)c1)C)c(cc2)C)C	PC-id_11832544	272.448	JWEDYFOEHHTUOP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021611
s1sc(=S)c2CCCCCCCCCCc12	PC-id_23274435	272.493	KFPUMFIAEZRTJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021612
C[Si](c1cc(c2-c1ccccc2)[Si](C)(C)C)(C)C	PC-id_102276992	272.533	ZOBBOYQXCHMZQW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021613
CC(C)(C)OC(=O)N1CCCn2nc(Cl)nc2C1	EMOLS-id_316042247	272.731	GUTFAIJXWGMQNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021614
O=C(C(Cl)C)NC1CCc2c(NC1=O)ccs2	MCULE-3478686140	272.751	SXDKTRWLNYAVPM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021615
ClCC(=O)NC(c1nc2c(s1)CCCCC2)C	MCULE-9854443792	272.794	HVKSTYLRXHOZRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021616
ClCC(=O)NCCc1nc2c(s1)CCCCC2	MCULE-5695313727	272.794	BCBHZZNBBQDDHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021617
CN1CCC(=O)c2cn(cc2S1)CCCCCl	PC-id_91361126	272.794	PTKUNVMTQFUFAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021618
CN1CCC(=O)c2c(S1)ccn2CCCCCl	PC-id_90891214	272.794	CGOKLBIODPALFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021619
ClC1CSc2sc(=S)sc2SC1	PC-id_85748251	272.882	IOLLKCXUHDIVLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021620
CC1(C=CC=C2C(=C1)N=NN2)I	PC-id_164122321	272.976	YGQRZNBNDYJAOM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021621
c1cc(=O)c2ncc(n2nc1)I	PC-id_137226739	273.031	QPVIDMPJVHNFGN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021622
OC1=CC=C=Nn2c1ncc2I	SCHEMBL18781598	273.031	XXVHQBCMYUAZHE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021623
CC1(I)C=c2ccoc2=CN=C1	PC-id_143335443	273.07	NKJRATQOXAKASX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021624
CN1C=CC2=C1/C(=NO)/CCN(S2)CCCCl	PC-id_160820488	273.07	OBQJHKQEOZKDJP-LCYFTJDESA-N	00000000100000000101000000000010000000000000000000000000	31-01-021625
IC1=CC=c2c(=CC1)nc(o2)C	SCHEMBL18597593	273.07	XDNQVYYIDOSDAP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021626
Brc1c2CCCNC(=O)c2[nH]c1C(=O)O	PC-id_83679432	273.083	XFYNXGXIOOCQDF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021627
OC(=O)C1CNC(=O)c2cc(Br)cn2C1	EMOLS-id_330939847	273.083	LXWKWKOXASQZSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021628
Brc1n(c2c(N(C(=O)CNC2=O)C)n1)C	PC-id_623414	273.087	FKHDBXPXQXTQRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021629
Brc1[nH]c2c(N(C(=O)CN(C2=O)C)C)n1	PC-id_618354	273.087	YSKJSPADTMESBJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021630
C1CNCCC2=C1N=C(S2)NC(=O)C3=CC=CC=C3	PC-id_163559601	273.094	QMUONSSPBQXTNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021631
C1CN(CCC2=C1N=C(S2)N)C(=O)C3=CC=CC=C3	PC-id_164040457	273.094	VPTFDEUYEHTHDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021632
BrC1COC(c2c(C1=O)cn(n2)C)(C)C	PC-id_89819477,SCHEMBL15277562	273.126	GTVHHUNGCWRAAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021633
C1CN(CCC2=C1N=C(S2)N)CCC3=CC=CC=C3	PC-id_154318758	273.13	ZRLKJUOWZFPRHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021634
CC1=CC=C(C=C1)CN2CCC3=C(CC2)SC(=N3)N	PC-id_154173443	273.13	GBQLRACMWOCCOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021635
CC1=CC=CC=C1CN2CCC3=C(CC2)SC(=N3)N	PC-id_162049524	273.13	ABCANEPIPRQPPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021636
CN1CCCn2c(C1)c(nc2Br)C(=O)N	PC-id_89797022,SCHEMBL15247949	273.13	KLHWCCFSORHERT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021637
CNC1=NC2=C(S1)CCN(CC2)CC3=CC=CC=C3	PC-id_154160005	273.13	DYAVCPODANMGPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021638
NC(=O)c1c(Br)nn2CCCCCNc12	EMOLS-id_336464054	273.13	BEKNUPGOMATINP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021639
CC(C)(C)OC(=O)n1cc(c2=CC=CCC=C=c12)CO	PC-id_163992733	273.136	UCAXWBIFAGVXAR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021640
[se]1nc2N(C(=O)C(N(C(=O)c2n1)C)C)C	PC-id_10612280	273.151	SKBAHTPBQQAKNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021641
Brc1c(nn2CCCCOc12)C(C)(C)C	PC-id_84046350	273.169	APCALSDQHNUGNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021642
Brc1c2CCCCCCc2sc1C=O	PC-id_71670766	273.189	QWPYPPLNNFAMPG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021643
BrCC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_48603137,PC-id_80147535	273.189	PHQPXKBPUACHIG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021644
O=C1CCCCc2c(C1)sc(c2Br)C	PC-id_138976519	273.189	ZUHNQILXAQOYAS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021645
[se]1nnc2CCCC(OC(=O)C)CCc12	PC-id_21721758	273.19	SUNLSTRQLCFILL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021646
BrC(c1c2CCCCCCc2sc1)C	PC-id_71670726	273.232	BAUHOTAKZMVDJK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021647
BrC(c1sc2CCCCCCc2c1)C	PC-id_71670718	273.232	AEPXYPSRYISTGA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021648
C1C=CC=CC=CC(=O)C=c2c(=COC1=O)oc(=O)[nH]2	PC-id_88031088,SCHEMBL6701955	273.241	VHGYZPVCPDXGIG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021649
o1/c/2=C/OC(=O)CC=CC=CC=CC(=O)/C=c2/[nH]c1=O	PC-id_22631278	273.241	VHGYZPVCPDXGIG-PKEOBGSGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021650
o1/c/2=C/OC(=O)C/C=C/C=CC=CC(=O)C=c2[nH]c1=O	PC-id_69871793	273.241	VHGYZPVCPDXGIG-FZOCFOHFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021651
O=C1C/C=CC=C/C=CC(=O)/C=c/2c(=C/O1)oc(=O)[nH]2	SCHEMBL6701947	273.241	VHGYZPVCPDXGIG-RJQQCQLTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021652
O=C1C/C=C/C=CC=CC(=O)/C=c/c(=CO1)/oc(=O)[nH]2	SCHEMBL6701951	273.241	VHGYZPVCPDXGIG-CGRCUDBYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021653
OC(=O)ON1CCc2c(CC1)cc(s2)OC(=O)O	PC-id_70555745,SCHEMBL11291870	273.262	OTZMAGBWJZEMTP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021654
OC(=O)ON1CCCc2c(C1)cc(s2)OC(=O)O	SCHEMBL11289143,PC-id_70554882	273.262	HMENSNUZTZYXDF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021655
Pn1cc2c(n1)N(CCCC2=O)Cc1ccccc1	SCHEMBL19363974	273.27	XTWSHELPGVJMIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021656
CC(C)(C)OC(=O)N1Cc2ccnn2CC(F)(F)C1	EMOLS-id_324007332	273.279	FXXPVBSYVBOSMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021657
COC(=O)CC1CCCCc2c(C1(F)F)nnn2C	PC-id_118287912,SCHEMBL16984258	273.279	PZMBWMNVTINIBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021658
FC(COCC(=O)N1CC(C)Cc2c(C1)cn[nH]2)F	EMOLS-id_319618284	273.279	RHRUHHMFRWDSFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021659
CCOC(=O)Cn1c(=O)c(c2-c1ccccc2)C(=O)C	PC-id_12852672,SCHEMBL11277993	273.284	FZBCOIDGVUQLNP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021660
O=C1CCCC(=O)c2c1c(CNCc1ccco1)oc2	PC-id_145095176	273.284	QTKPEGDNHVQAEJ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-021661
OC(=O)C1CCCCn2c1ccc2C(=O)c1ccco1	SCHEMBL11200566,PC-id_20483942	273.284	MALUYKJBERSYRQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-021662
OC(=O)C1CCCCn2c1ccc2C(=O)c1ccoc1	SCHEMBL11197022,PC-id_20483911	273.284	RJEDNVMBQLPMDZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-021663
O(C(=O)c1c2-c(n(N)c1=NC(=O)C)ccccc2)CC	PC-id_10730951	273.287	ANHUOWDFPKHJOO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021664
CNC1C(=O)N(CCc2c1occ2)Cc1ncncn1	SCHEMBL14172442,PC-id_23554488	273.29	NMITVMFNJNJIPY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021665
CNC1C(=O)N(CCc2c1ocn2)Cc1cccnn1	SCHEMBL14172384,PC-id_23554603	273.29	KXVNCJIVVVJMOS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021666
CNC1C(=O)N(CCc2c1ocn2)Cc1ccncn1	PC-id_23554611,SCHEMBL14172383	273.29	LKWNFMYYLMGEKN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021667
CNC1C(=O)N(CCc2c1ocn2)Cc1cnccn1	PC-id_23554595,SCHEMBL14172385	273.29	NGJNJBYRZQUSFY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021668
CO[C@@H]1CN(C(=O)c2ccncn2)Cc2ccnn2C1	ZINC22_247838391	273.29	JZGTYHLPPBUZDX-LLVKDONJSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021669
CO[C@H]1CN(C(=O)c2ccncn2)Cc2ccnn2C1	ZINC22_247838394	273.29	JZGTYHLPPBUZDX-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-021670
O=C(c1ccccc1O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166324	273.29	MKPPOEXIMKQLQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021671
O=C(C1CCn2c(CC1)nnc2)Nc1cccnc1O	EMOLS-id_319867878,MCULE-7747385111	273.29	NXQJPLKGWKTKNN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021672
O=C(c1nnc(o1)C1CC1)N1CCCc2c(C1)c[nH]n2	EMOLS-id_320118119,MCULE-9190434746	273.29	APSUXSHPDISTPP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-021673
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnncc1O	EMOLS-id_318932380	273.291	UTZXRQACIVPAPW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021674
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OC(=O)c1cccnc1CN1CCCn2c(C1)cnn2	EMOLS-id_316321427,MCULE-8090655053	273.291	COVUVLJLNMVMID-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021676
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Cc1cc(C)n(c(=O)n1)Cc1nnc2n1CCCCC2	EMOLS-id_278703090	273.334	IFSGVMIAJYEPDQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021749
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o1nccc1Cn1cc2C(NCCC)CCCCc2c1	PC-id_83212254	273.373	JOVAMTIWUAESCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021861
o1nc(c(Cn2cc3C(NC)CCCCc3c2)c1C)C	PC-id_83208161	273.373	VTLYZVNQNJSHAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021862
o1nc(Cn2cc3C(NCC)CCCCc3c2)cc1C	PC-id_83212919	273.373	WJCQGKMCRCBOIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021863
OC1c2c(CCCC1)cn(c2)Cc1n(C(C)C)cnc1	PC-id_83207856	273.373	QTFMIJSLKOJTMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021864
OC1c2c(CCCC1)cn(c2)Cc1n(CCC)cnc1	PC-id_83208566	273.373	JXARYGZCBDGEQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021865
OC1c2c(CCCC1)cn(c2)Cc1n(nc(c1)C)CC	PC-id_83208819	273.373	RKABCKSMPBMBAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021866
OC1c2c(CCCC1)cn(c2)Cc1n(nc(c1)CC)C	PC-id_83209082	273.373	CNGPUTVTUVOLRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021867
OC1c2c(CCCC1)cn(c2)Cc1nn(C(C)C)cc1	PC-id_83208568	273.373	PJZBXNGQISRQAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021868
O=C(C[C@@H]1C=CCC1)NCc1n[nH]c2c1CCCCC2	ZINC22_584899378	273.373	NEXBUJVDHCCEBQ-GFCCVEGCSA-N	00000011100000000101000000000010000000000000000000000000	31-01-021869
O=C(C[C@H]1C=CCC1)NCc1n[nH]c2c1CCCCC2	ZINC22_584899379	273.373	NEXBUJVDHCCEBQ-LBPRGKRZSA-N	00000011100000000101000000000010000000000000000000000000	31-01-021870
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CC=CCC1	CoCoCo_1581196,ZINC22_20537604,CoCoCo_1581198	273.373	DBWXQBWDDQELIC-GFCCVEGCSA-N	00000000100011000101000000000010000000000000000000000000	31-01-021871
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c12CN(CCCn1nc(C#N)c2)CC1CCCN1CC	EMOLS-id_222764899,MCULE-7395939373	273.377	XQPUFPCQAVJGGR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-021873
c1(CN(C)Cc2[nH]cnc2C)c2CCCCCc2[nH]n1	MCULE-3856725877,PC-id_50953241,ZINC22_67588514,PD148477,EMOLS-id_32377856	273.377	CIAPXFWTKUNEBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021874
CC1CCc2nnc(CCc3c(C)n[nH]c3C)n2CC1	EMOLS-id_317905841,MCULE-3338340105	273.377	DRBYTFLILDCPFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021875
CC1CN(Cc2ccn(n2)C(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_318846695	273.377	QFHWSKCSBVBTSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021876
CC1CN(CCn2nc(cc2C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319613876	273.377	AOQLDPPELCKJIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021877
Cc1n[nH]c(C)c1CCc1nnc2n1CC[C@@H](C)CC2	ZINC22_1772813992	273.377	DRBYTFLILDCPFC-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-021878
Cc1n[nH]c(C)c1CCc1nnc2n1CC[C@H](C)CC2	ZINC22_1772813993	273.377	DRBYTFLILDCPFC-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021879
CC(C)(C)C1CCc2nnc(Cn3ccnc3)n2CC1	EMOLS-id_337667517,MCULE-5923733632	273.377	GVRDPZILPPDCHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021880
CC(C)(C)[C@@H]1CCc2nnc(Cn3ccnc3)n2CC1	ZINC22_2100477116	273.377	GVRDPZILPPDCHT-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021881
CC(C)(C)[C@H]1CCc2nnc(Cn3ccnc3)n2CC1	ZINC22_2100477117	273.377	GVRDPZILPPDCHT-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021882
C#CCN1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_51075937,MCULE-6240544421,ZINC22_42596785	273.377	PBYODZGTCZTDGZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-021883
CC(C)n1cncc1CN1CCCc2c(cnn2C)C1	MCULE-3874202422,ZINC22_335546219,EMOLS-id_316874155	273.377	CXBCOVQFPROISX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021884
CCN1CCC[C@H]1CN1CCCn2nc(C#N)cc2C1	ZINC22_670448111	273.377	XQPUFPCQAVJGGR-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-021885
CCN1CCC[C@@H]1CN1CCCn2nc(C#N)cc2C1	ZINC22_670448112	273.377	XQPUFPCQAVJGGR-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-021886
CCNC1CCCCc2c1cn(c2)Cc1nnn(c1)C	PC-id_107045597	273.377	KHORWUYBVJOKRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021887
CN(C1CCn2c(CC1)nnc2C)Cc1cccn1C	MCULE-4092869516,EMOLS-id_97080811	273.377	YCRQQTYQQNGPFJ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-021888
n12CCCCCc1nnc2C(NCc1cn(cc1)C)C	PC-id_66397480	273.377	BJDOCMNOMBLDSX-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-021889
n12CCCCCc1nnc2C(NCc1n(ccc1)C)C	PC-id_62132230	273.377	VJDCBDKJJAPBBB-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-021890
n1(cc2C(N)CCCCc2c1)Cc1n(ncn1)CCC	PC-id_83208437	273.377	PSBOBCCRHOSFAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021891
n1(cc2C(N)CCCCc2c1)Cc1n(ncn1)C(C)C	PC-id_83208531	273.377	VEIYAECCSRKOEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021892
n1(cc2C(NC)CCCCc2c1)Cc1n(c(nn1)C)C	PC-id_83208888	273.377	VENWVCXYGBNSLF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021893
n1(cc2C(NC)CCCCc2c1)Cc1n(ncn1)CC	PC-id_83208969	273.377	IPNIYPAVYKDDMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021894
n1(cc2C(NCC)CCCCc2c1)Cc1n(cnn1)C	PC-id_83212590	273.377	GPFZQWINTJEOKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021895
n1(cc2C(NCC)CCCCc2c1)Cc1n(ncn1)C	PC-id_83208746	273.377	LKSOHRKINDUUSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021896
Cc1ccc(cn1)C(c1cc2c(s1)CCCCC2)O	PC-id_115796772	273.393	ZKASHQKAPVWJSX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021897
Cc1ccncc1C(c1cc2c(s1)CCCCC2)O	PC-id_115817788	273.393	RZSBXEMPUHTENB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021898
Cc1cncc(c1)C(c1cc2c(s1)CCCCC2)O	PC-id_115827969	273.393	XDLOGPJDUUNQGW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021899
C/C=CC=C(c1sc2c(c1)CCCNC2=O)/C=CC	PC-id_144365756	273.393	TXWDZBFUPWHPBS-RAEMRTJTSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021900
CN1C2=C(S/C/1=C(c1ccccc1)/O)CCCCC2	PC-id_102223898	273.393	MDNYGNBQCXVBLA-FOCLMDBBSA-N	00000011000000110111000000000010000000000000000000000000	31-01-021901
OC1CC(NCc2ccccc2)CCc2sccc12	CHEMBL4513837	273.393	GSSRNSHXCDBXPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021902
OC(c1cc2c(s1)CCCCC2)Cc1cccnc1	PC-id_115832121	273.393	SSUNCQVOSPDBRO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021903
[O-][C@H](c1sc2c([n+]1C)CCCCC2)c1ccccc1	PC-id_102223896	273.393	OVJKQVNTKMNICE-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021904
s1c2c(CCCCC2)cc1C(O)Cc1ccncc1	PC-id_66460297	273.393	RBFRDWFHBLQEJH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021905
s1c2c(CCCCC2)cc1C(O)Cc1ncccc1	PC-id_66460092	273.393	NBPKFQDJIZQGMW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021906
s1c2CCCCCCc2nc1C(O)c1ccccc1	PC-id_55201616	273.393	ZFSMGXDMXLYAFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021907
s1c(Cn2cc3CCCCC(=O)c3c2)ccc1CC	PC-id_83207161	273.393	SSGDCYGFUOCYPC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-021908
c1(C#N)c2CCCCCc2sc1N=CN1CCCC1	MCULE-2218949623,PC-id_741875	273.396	AIXMVRYALUKSMI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-021909
CC(c1ccccc1)Sc1nnc2n1CCCCC2	MCULE-9838554600,PC-id_45838185,EMOLS-id_29624789	273.396	OTGKAGOMQDAVTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021910
C[C@H](Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_40159038,PC-id_51968139,CoCoCo_3081488	273.396	OTGKAGOMQDAVTD-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021911
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CNC(c1cc2c(s1)CCCCC2)c1cnccn1	PC-id_115860525	273.396	MYLSWQLCSWENCN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021913
CNC(c1cc2c(s1)CCCCC2)c1cncnc1	PC-id_115827458	273.396	FMBXLTCGTFMWMM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021914
N#Cc1c(/N=CN2CCCC2)sc2c1CCCCC2	CoCoCo_789415	273.396	AIXMVRYALUKSMI-BOPFTXTBSA-N	00000010100000000100000000000010000000000000000000000000	31-01-021915
N#Cc1c(/N=C/N2CCCC2)sc2c1CCCCC2	ZINC22_180770,STOCK2S-35671,PC-id_9586678,CK3021847,CoCoCo_789414,TIMTEC41350,EMOLS-id_25915600	273.396	AIXMVRYALUKSMI-GZTJUZNOSA-N	00000010100000000100000000000010000000000000000000000000	31-01-021916
NNC(c1cc2c(s1)CCCCC2)c1cccnc1	PC-id_113699637	273.396	GTSDEQYMUXRMOE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-021917
s1c2CCCCCc2nc1C(N)c1ccc(N)cc1	PC-id_83343849	273.396	YSNFOBXSYZSVLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021918
S(c1n2CCCCCc2nn1)Cc1c(cccc1)C	PC-id_47096085	273.396	HKZLNROHJJUYOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021919
S(c1[nH]c2CCN(CCc2n1)Cc1ccccc1)C	PC-id_10956686	273.396	DBIJHVDAFUFXFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-021920
CC1(C)[C@H]2CC=C([C@@H]1C2)C[N@@H+]1CCn2c(CC1)nnc2	GD-id_ZINC12124548	273.397	XWXUJQOBJGHUBV-KBPBESRZSA-O	00001000100011000101001000000010000000000000000000000000	31-01-021921
CCS(=O)(=O)c1sc2c(c1C)C(C)CNCC2	SCHEMBL1181171,PC-id_24783108	273.415	XWFKEAIQURRVEH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021922
NCCSCCCC1COc2c(OC1)csc2	SCHEMBL10328442,PC-id_68111187	273.415	QAQYQJPDISNTQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021923
CNCCC1(CC)N/C=C/CCC/C=C/n2c1ccc2	PC-id_144114272	273.416	OYSSFIAZAOCWRP-BKKXBQFWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021924
n1(cc2C(NC)CCCCc2c1)CCCC(C)(C)C#N	PC-id_83208907	273.416	JATUHAIIMLIJEL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021925
n1(cc2C(NCC)CCCCc2c1)CCC(C)(C)C#N	PC-id_83213242	273.416	VRLLQVYHAONFCG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021926
n1(cc2C(NCCC)CCCCc2c1)CCCCC#N	PC-id_83213088	273.416	NHDHCYBFUHKZEQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021927
N#CC(CCCCn1cc2c(c1)CCCCC2N)(C)C	PC-id_106713583	273.416	DOWJGHGGJUJKFM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021928
S(c1n2CCCCCc2nn1)CCOCCS	EMOLS-id_315445572,PC-id_80040605	273.418	KTLGDTYIKBEFSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021929
CCNSc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_144494365	273.436	XBNKBEMAUDIHAE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021930
O=C(c1ccc2-c1ccccc2)C(Cl)(Cl)Cl	PC-id_71675980,CNP0067331	273.542	ZZWMEUCSRJURHD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021931
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CCCl	PC-id_90625317	273.739	CYRJIPPUUAHCLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021932
CC(C(=O)Nc1nc2c(s1)C(=O)NCCC2)Cl	PC-id_90625319	273.739	HWIRXMWYTUJBOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021933
Clc1c2-c(c(/N=N/c3sccn3)c1)ccccc2	PC-id_21583820	273.741	FDCSJUYZYJIIKF-WUKNDPDISA-N	00000010100000000111000000000010000000000000000000000000	31-01-021934
Clc1sc(/N=N/c2c3-c(cc2)ccccc3)nc1	PC-id_12104205	273.741	HDYFKJKAHYVTPB-WUKNDPDISA-N	00000010100000000111000000000010000000000000000000000000	31-01-021935
Clc1ccc(Cn2cc3CCCCC(=O)c3c2)cc1	PC-id_83207499	273.757	NUHPAQSCGQORIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021936
Clc1cc(Cn2cc3CCCCC(=O)c3c2)ccc1	PC-id_83206144	273.757	HBKFVHBAOMVPJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021937
Clc1c(Cn2cc3CCCCC(=O)c3c2)cccc1	PC-id_83207903	273.757	IJMXJKYBCKLIKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021938
ClCCCN1Sc2c(n(cc2)C)C(=NO)CC1	PC-id_58648715	273.782	OBQJHKQEOZKDJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021939
Cn1ccc2c1C(CCN(S2)CCCCl)N=O	PC-id_91037630	273.782	RGAGYVVESOQXAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021940
Clc1ccc(cc1)Cn1c(C)cc2c1CCCCC2	PC-id_67236968,SCHEMBL1983516	273.8	YZZKTPBYBVNQRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-021941
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CO[N-]C1CCCCC2=C1SC(=C2)Br	PC-id_152756962	273.991	MGWIPMNHWPBSCC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021944
PN1CC(=C)c2n(CC1=O)nc(c2)Br	PC-id_139468776,SCHEMBL21334639	274.054	HSNUWXTVJRWXBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021945
CN1CCC=c2c(=C1)cc([nH]2)I	SCHEMBL20005067,PC-id_134376335	274.102	RQGUURMOZZTHSH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021946
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Brc1sc(c2CCCNC(=O)c12)C=O	PC-id_82626080	274.134	XNDDMGPZPPSBDO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021949
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BrCCCn1nc2n(c1=O)CCCCC2	SCHEMBL3517370,EMOLS-id_262166493,PC-id_57927365	274.158	YMAUKQCVPPFKMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021951
CC1CC(=CC=C2C(=C1)C(=CN2)CC(C)(C(=O)O)N)C	PC-id_149105636	274.168	QVPHLVUGGDQGCW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021952
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Brc1sc2CCN(CCc2c1)C(=O)C	PC-id_82378884	274.177	SYOULLFAOIMVQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021954
Brc1sc2CC(N(CC(=O)c2c1)C)C	PC-id_82378881	274.177	ZJFCZQUJDYSYMU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021955
Brc1sc2CN(CCCc2c1)C(=O)C	PC-id_82378887	274.177	PGJNOZPDUNRDHY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021956
Brc1sc(c2CCCN(Cc12)C)C=O	PC-id_82378880	274.177	CBRGYOCLJUFQHI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021957
Brc1scc2CCN(CCc12)C(=O)C	PC-id_82378883	274.177	YOTNWGGVRFXJRJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021958
Brc1sc(c2CN(CCCc12)C)C=O	PC-id_82378886	274.177	YJBDCCFFZHTYGN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021959
BrCCN1C(=O)CCCc2c1ccs2	EMOLS-id_107286903	274.177	LFTWETAJMXJJLT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021960
CC1(C)CNC(=O)c2cc(Br)sc2C1	EMOLS-id_337127148	274.177	BWESCBPLTXTHEU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021961
CC1CN(CCc2c1cc(s2)Br)C=O	PC-id_88975019,SCHEMBL12886561	274.177	YLJPOTURJIGCLL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021962
Cc1c(sc2c1CCN(CC2)C=O)Br	PC-id_88945862,SCHEMBL12671867	274.177	FTSBBLHOFQSKJW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021963
CCOC(=O)C1CNCc2c(C1)nn[se]2	PC-id_101606474	274.178	JWURVTZGSXANCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021964
CC1CN(CC2CC2(Cl)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319494235	274.189	CNDUGVYBHSFBIE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-021965
CCN1C(=C(N=N1)C)CN2C[C@H](CC3=C(C2)C=NN3)C	ZINC22_952884042,PC-id_164640064	274.191	SEYKCEGZTCMNLZ-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-021966
CN1C(=O)C(CCn2c1cc(n2)C(F)(F)F)N=[N+]=[N-]	SCHEMBL18372670	274.203	ZXNZSABMVYQKJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021967
Brc1c2C(CNCCc2sc1CC)C	SCHEMBL12636668,PC-id_58256119	274.22	JUHWPWFZKSLHLY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021968
Brc1sc2C(C(C)C)CCNCc2c1	PC-id_83694067	274.22	IMCXPYQSKFOICK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021969
Brc1sc2c(C(CN(CC2)C)(C)C)c1	PC-id_82378873	274.22	ZGVXUYTZEBCGDH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021970
Brc1sc2c(C(NCCC2)C(C)C)c1	PC-id_83694068	274.22	AEIXBRQPESFYEN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021971
NCc1c(Br)sc2c1CCCCCC2	PC-id_114748647,EMOLS-id_114861409	274.22	IDDGFTZZAPTYMK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-021972
CC1(CNC=C(c2n[nH]c(c12)C(F)(F)F)C(=O)N)C	PC-id_137350862,SCHEMBL20574687	274.242	RKOTVKREKHUOBD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-021973
COC(=O)c1sc(c2c1OCC(CO2)O)C(=O)O	SCHEMBL6206667,PC-id_69703743	274.247	VDLDUOARJOLGBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021974
OCC1CCOc2c(O1)c(sc2C(=O)O)C(=O)O	PC-id_140278273	274.247	SFFCHCYIEKSJSX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021975
[Na+].c12c(n(cn1)CCCCC(=O)[O-])NC=NCC2O	CHEMBL36488	274.252	GRVDCPRCHFAABC-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-021976
COc1ccccc2-c1c(c(c2C(=O)OC)OC)C=O	SCHEMBL3282663,PC-id_87504523	274.269	MHMKAYQIXRUBQK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021977
COC(=O)c1c2-c(c(c1OC)C(=O)OC)ccccc2	PC-id_141346781	274.269	IUBYTMJTDZGHQE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021978
O(c1c2-c(c(c1)C(=O)OC)cccc(OC)c2)C(=O)C	PC-id_12794370	274.269	AYKDPDBDTZXEBE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021979
O(c1c2-c(c(c1)C(=O)OC)cc(OC)ccc2)C(=O)C	PC-id_12794368	274.269	FPYFMOUBGZQPQU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021980
O(c1c2-c(c(c(c2)C(=O)OC)C(=O)OC)cccc1)C	PC-id_85612914	274.269	OLACUWXWKQUGMZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021981
OCc1c2-c(c(c1C(=O)OC)C(=O)OC)ccccc2	PC-id_14003804	274.269	PVMGULAVPAVYNQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021982
O(C(=O)c1c2-c(cc1O)ccc(OC(=O)C)cc2)CC	PC-id_85903444	274.269	CESFDJJKRCNMJM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021983
FC(CN(C(=O)NC1CCn2c(CC1)nnn2)C)F	EMOLS-id_319383768	274.27	QRERRWVIVMMYPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021984
c1c(=O)c2c(CC(NC(=O)C)C(=O)O)c[nH]c2ccc1	CNP0348689,PC-id_75368798,EMOLS-id_44821927,MCULE-6124892467	274.272	BNQKFYXFHDIERD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021985
CCOC(=O)c1cc2-c(n1)c(cncc2)C(=O)OCC	PC-id_142993814	274.272	ZXHXVQKVSGCGRH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021986
CCOC(=O)Cn1c(=O)c(c2-c1ccccc2)C(=O)N	SCHEMBL11279025,PC-id_12852684	274.272	KMEKCFWHWPENLR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021987
CC(=O)N[C@@H](Cc1c[nH]c2ccccc(=O)c12)C(=O)O	ZINC22_96295989	274.272	BNQKFYXFHDIERD-NSHDSACASA-N	00000000100000000110000000000010000000000000000000000000	31-01-021988
CC(=O)N[C@H](Cc1c[nH]c2ccccc(=O)c12)C(=O)O	ZINC22_96295990	274.272	BNQKFYXFHDIERD-LLVKDONJSA-N	00000000100000000110000000000010000000000000000000000000	31-01-021989
[O-][N+](=O)C(Cc1c2-c(cc1)ccccc2)CC[N+](=O)[O-]	PC-id_13435101	274.272	RPHVYDRNIAVURO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021990
[O-][N+](=O)CCc1c2-c(c(c1)CC[N+](=O)[O-])ccccc2	PC-id_13435102	274.272	KWTCSIROKXJSLO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-021991
CN(C(=O)c1cc2c(o1)CCCNC2=O)c1cn[nH]c1	ZINC22_2325771271	274.275	UENFJASQYADJRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021992
Cc1ncc(nc1)C(=O)N1CCc2n[nH]c(=O)n2CC1	PC-id_91922354	274.279	UGHUNWAHWQETCT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021993
Cn1nc2CCN(CCn2c1=O)C(=O)c1ccncn1	PC-id_91922537,MCULE-4891622324,EMOLS-id_50590129	274.279	HIYIKEJGDBPTSF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021994
Cn1nc2CCN(CCn2c1=O)C(=O)c1ccnnc1	PC-id_91922535,EMOLS-id_50590125	274.279	SNPILYZJYNKFRQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021995
CNC1C(=O)N(CCc2c1ocn2)Cc1ncncn1	SCHEMBL14172380,PC-id_23554487	274.279	GWFHDGYABZOKRN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-021996
O=C1Nc2ccn(c2CCC1NC(=O)c1nnc[nH]1)C	SCHEMBL19031663	274.279	SBSHTZISCBMSDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-021997
O=C(c1cccnc1O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166348	274.279	CDBGCDGGCUZITD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021998
O=C(c1ncccc1O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179654	274.279	MCBXZAVWTBUGRP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-021999
c1(C(=O)c2ccc(cc2)F)n(O)c2c(CCCCC2)n1	ZINC22_210505,EMOLS-id_2155585,PC-id_755655,ChEMBL-DNDi_CHEMBL5794-0827,MCULE-3955227708,CoCoCo_785724	274.29	OCHVFWFXFGDXQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022000
c1(C(=O)Nc2ccc(cc2)F)c2CCCCCc2on1	ZINC22_20478507,EMOLS-id_21980623,TIMTEC199505,PC-id_17254341,STOCK6S-89228,MCULE-4956986340	274.29	HQOXALQRDGLVCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022001
c1(C(=O)Nc2ccccc2F)c2CCCCCc2on1	ZINC22_20508124,MCULE-5288249596,PC-id_17254340,EMOLS-id_21980621,STOCK6S-89365,TIMTEC399549	274.29	QFLYQUZRRXTGOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022002
Fc1ccc(cc1)C(=O)C1CCCn2c(C1)cc(n2)O	SCHEMBL16704548,PC-id_118065834	274.29	YNFLJBOXFWUJGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022003
c1(C(=O)Nc2cccc(F)c2)cn2c(CCNCC2)n1	MCULE-3559709185,EMOLS-id_331132953,ZINC22_1875245221	274.294	QBIJIXNOSKJXCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022004
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cn1)F	MCULE-5948791722,EMOLS-id_319920741	274.294	LFFUOUPIDSEKCE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-022005
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccncc1F	EMOLS-id_319400432	274.294	BFUTWJSBEFZTSG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-022006
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncc(c1)F	MCULE-5833445575,EMOLS-id_319886706	274.294	KWFOSJIQUFLQCA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-022007
CCOC(=O)c1n(C)cc2c1OCCNS2(=O)=O	PC-id_140762779	274.294	LKANHJUZTOEUNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022008
Fc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319838162,MCULE-3134128040	274.294	HQSLDJOQWCSTIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022009
Fc1c(CC(=O)N2CCn3c(nnc3)CC2)cccc1	PC-id_42368387,CoCoCo_1174895	274.294	YLXORPJZJSWGJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022010
O(C(=O)c1c2-c([n+](N)c1NC(=O)C)ccccc2)CC	PC-id_10624310	274.295	ANHUOWDFPKHJOO-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-022011
CC(=CCO/C/1=c/2ccoc2=CCOC(=O)/C=CC1)C	PC-id_143436867	274.312	VGBVGJVNKHFPAE-BRRUEZRUSA-N	00000000100000000110000000000010000000000000000000000000	31-01-022012
O=C(c1c2-c(cc1)ccccc2)CC(=O)c1ccccc1	PC-id_86081800	274.313	KVZILGJVMXWSMT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022013
O=C(c1c2-c(cc1)ccccc2)C=C(O)c1ccccc1	PC-id_86081808	274.313	OLQWDVCVPZGKFQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022014
OC(=O)c1ccc(C=Cc2c3-c(cc2)ccccc3)cc1	PC-id_54125618	274.313	NQTCFJMUTPBQKW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022015
O=C(O)c1ccc(/C=C/c2ccc3-c2ccccc3)cc1	CHEMBL104486,PC-id_23257926	274.313	NQTCFJMUTPBQKW-RMKNXTFCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022016
c1(C(=O)N(C)Cc2ccco2)c2CCCCCc2on1	EMOLS-id_32809244,PC-id_20923880,MCULE-8037218382	274.315	IKPXHQUFUGVUKI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-022017
CCc1noc(c1C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99398103	274.315	KPYFQBHFYHTTJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022018
CCCC(C(=O)N)NC(=O)c1cc2c(o1)CC=CC=C2	PC-id_143083476	274.315	YYMWBGXFZGCXRF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-022019
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O1CCN(CC(O)c2c3-c([nH]c2=O)ccccc3)CC1	PC-id_85517867	274.315	ARJQDIDIEXOPEY-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-022021
O=C1c2c(CCCC1)cn(c2)Cc1noc(c1)COC	PC-id_83207493	274.315	DHDOROKZROQKGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022022
O=c1nc2-c(n1CCOC1CCCCO1)ccccc2	EMOLS-id_319256683	274.315	JCOPFRBLOVIIIP-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-022023
c12CN(CCCn1nc(C#N)c2)C(=O)CC1CCOC1	EMOLS-id_82743449,MCULE-7460256492,PC-id_119074835	274.318	DVYYMJFXMFARMT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022024
c12OCC(NCc1c(nn2C)C)COc1cccnc1	EMOLS-id_264817415,MCULE-5709349327	274.318	FHAKVSMUAGADJY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-022025
c1(cc(no1)CC)C(=O)N1CCCc2n(ncc2C1)C	ART-19598570,ZINC22_12276654,PC-id_92431140,EMOLS-id_370932,MCULE-1213568457	274.318	GMVWTCWYIPUOGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022026
c1(c(C)ocn1)C(=O)NCc1c2CCCCCc2[nH]n1	EMOLS-id_177375085,MCULE-4263780210,ZINC22_584886405	274.318	IJEQOVJMLSKSGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022027
Cc1cc(n(n1)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100944480	274.318	AKPUCPIUBSQMRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022028
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)noc1C	EMOLS-id_319734072	274.318	DLZUNODFNYDPLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022029
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1oc(nc1C)C	MCULE-1044471384,EMOLS-id_320054328	274.318	HCOOMXMQPTXHFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022030
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1noc(c1)C	MCULE-8273090926,EMOLS-id_320089994	274.318	NAXBFWDJKJNJKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022031
Cc1c[nH]c(n1)CNC(=O)c1noc2c1CCCCC2	MCULE-2775950286,EMOLS-id_320041012	274.318	ZSHUIZHBJLNWJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022032
Cc1conc1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316669272	274.318	RERDTYZJSPFRFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022033
Cc1ncc(o1)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_316689125	274.318	LSOVJVZUNIWFFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022034
Cc1occc1C(=O)NCc1nnc2n1CCCCC2	CoCoCo_4625756,PC-id_30547214,MCULE-1761114939,ZINC22_22701167,EMOLS-id_24054314	274.318	QPAWKIBIFYVOKN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-022035
Cc1onc(c1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318097747	274.318	CGCHVLSRWGPWJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022036
CCC1c2nccn2CCCN1C(=O)c1ocnc1C	MCULE-6597891616,CHEMBL4579413,EMOLS-id_55717324	274.318	RGPJHBQGEUVYGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022037
CCc1ncoc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-9112571090,EMOLS-id_320125220	274.318	WFDBOASQMGQVHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022038
CCc1[nH]ncc1NC(=O)c1noc2c1CCCCC2	EMOLS-id_318918389	274.318	BQQCCLLBHUOREY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022039
CCc1nocc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319610576	274.318	UQOWMTREHFAICW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022040
CCc1occ(n1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319928184,MCULE-9428784117	274.318	GVTGWZWJBLKOSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022041
CCc1onc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318891265	274.318	HNWTUGJEGXCVIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022042
CCCC1c2nccn2CCCN1C(=O)c1cnco1	CHEMBL4533223	274.318	DWMQFDBEAJRMSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022043
CC(C)C1c2nccn2CCCN1C(=O)c1cnco1	MCULE-9907707010,EMOLS-id_55717386,CHEMBL4558814	274.318	ZPHXJCUBJODWFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022044
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C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCCCC2	ZINC22_29902063	274.318	DJICADGWCBQHQR-SNVBAGLBSA-N	00000000101000000101000000000010000000000000000000000000	31-01-022048
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COc1cc(NCc2nnc3n2CCCCC3)ncn1	MCULE-4517686125,ZINC22_132999491,EMOLS-id_313176854,PC-id_136531389	274.322	OUENJUYDXPVOMV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-022095
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FC(F)(F)CCCn1cc2C(NC)CCCCc2c1	PC-id_83208454	274.325	SSJAOPIXKLKEAM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022105
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FC(CCC(=O)N1CCCCc2c1sc(n2)C)F	EMOLS-id_320153090,MCULE-7259381192	274.33	TZJIMLRHAPADOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022108
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Cc1ccc(c(c1)F)NCc1nnc2n1CCCCC2	EMOLS-id_318309423,MCULE-4944988667	274.337	MEKVSZPAWIVTTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022114
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Fc1c(cccc1C)NCc1nnc2n1CCCCC2	EMOLS-id_318250252,MCULE-7828275552	274.337	IGJIBNRBSSRDCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022119
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c1(Cn2cncn2)nnc2CCC(CCn12)C(C)(C)C	MCULE-7962071018,EMOLS-id_337776395	274.365	OQUXBYDKAMOGMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022247
c1(C(n2nc(C)c(N)c2C)C)nnc2n1CCCCC2	TIMTEC161786,MCULE-3940429757,PC-id_45602147,EMOLS-id_27336094	274.365	GADWJGZYNFCJID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022248
Cc1cc(N)nn1C[C@@H](C)c1nnc2n1CCCCC2	ZINC22_36644381,PC-id_51861550	274.365	JWZDKAWUGKPCBP-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022249
Cc1cc(N)nn1C[C@H](C)c1nnc2n1CCCCC2	ZINC22_36644383,PC-id_51861551	274.365	JWZDKAWUGKPCBP-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-022250
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Cc1nn([C@@H](C)c2nnc3n2CCCCC3)c(C)c1N	ZINC22_35655661,PC-id_51698688,CoCoCo_6788369	274.365	GADWJGZYNFCJID-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-022253
Cc1nn([C@H](C)c2nnc3n2CCCCC3)c(C)c1N	ZINC22_35655662,CoCoCo_6788368,PC-id_51698689	274.365	GADWJGZYNFCJID-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022254
CC(c1ncn(n1)Cc1nnc2n1CCCCC2)(C)C	EMOLS-id_101993912	274.365	RMGFNIOEUQNDFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022255
CC(c1[nH]nc(n1)CN1CCCc2c(C1)cnn2C)C	EMOLS-id_101742841	274.365	FVIIUQMGLKOIPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022256
CCc1n[nH]c(n1)C(N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319176481	274.365	VMIWGJQKAIMGGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022257
CCC(c1nnc2CCCCCn12)n1nc(N)cc1C	TIMTEC553359,EMOLS-id_27336110,PC-id_45602154,MCULE-3571085404	274.365	XPASYKRTTCTJMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022258
C(CCc1nnc2n1CCCCC2)NCc1[nH]ccn1	MCULE-5232413928,EMOLS-id_51758257,PC-id_119126084	274.365	JCMHSQZZSNCJPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022259
CC(C)(C)[C@@H]1CCc2nnc(Cn3cncn3)n2CC1	ZINC22_2356137023	274.365	OQUXBYDKAMOGMR-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022260
CC(C)(C)[C@H]1CCc2nnc(Cn3cncn3)n2CC1	ZINC22_2356137024	274.365	OQUXBYDKAMOGMR-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-022261
CC[C@H](c1nnc2n1CCCCC2)n1nc(N)cc1C	CoCoCo_6788378,PC-id_51698693,ZINC22_35655671	274.365	XPASYKRTTCTJMN-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022262
CC[C@@H](c1nnc2n1CCCCC2)n1nc(N)cc1C	ZINC22_35655670,CoCoCo_6788379,PC-id_51698692	274.365	XPASYKRTTCTJMN-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-022263
CC(Cn1cncn1)NCc1n[nH]c2CCCCCc12	MCULE-1040224499,PC-id_50976800,EMOLS-id_32422342	274.365	ONTQMMPMPKGDGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022264
C#CCNC(=NCc1nnc2n1CCCCC2)NCC	PC-id_111849868	274.365	NELSHZFLPHNQAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022265
C#CCNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_119149172	274.365	BSMCDMKGDVHURV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022266
C[C@@H](Cn1cncn1)NCc1n[nH]c2c1CCCCC2	PC-id_95220604,ZINC22_67878577	274.365	ONTQMMPMPKGDGX-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-022267
C[C@H](Cn1cncn1)NCc1n[nH]c2c1CCCCC2	ZINC22_67878580,PC-id_95220606	274.365	ONTQMMPMPKGDGX-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022268
CCn1nc(c(n1)CN1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_320181577,MCULE-8800645683	274.365	MQHGJINMJFGEOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022269
CCn1nnc(c1CN1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_316287428,MCULE-2710591351	274.365	SEYKCEGZTCMNLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022270
CCn1nnc(C)c1CN1Cc2c[nH]nc2C[C@@H](C)C1	ZINC22_952884043	274.365	SEYKCEGZTCMNLZ-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022271
CCNC1CCCCc2c1cn(c2)Cc1nnn(n1)C	PC-id_107045596	274.365	UAMFNZOHVOGNMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022272
CCNC(=C(c1nnc2n1CCCCC2)C#N)NCC	EMOLS-id_49967160,PC-id_86803236,MCULE-3962607091	274.365	UBEYCENHZTWUBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022273
CN(C)Cc1cnc2CCN(Cc3cn[nH]c3)CCn12	ZINC22_2055772666,EMOLS-id_313780940	274.365	LLQBJUBILZIOGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022274
n12CCCCCc1nnc2C(NCc1c([nH]nc1)C)C	PC-id_43746963	274.365	YFDBRFPUGKJQJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022275
n12CCCCCc1nnc2C(NCc1cn(nc1)C)C	PC-id_43426019	274.365	HUXAJDAKYZOYAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022276
n12CCCCCc1nnc2C(NCc1n(ccn1)C)C	PC-id_62351706	274.365	RUXXSIROXPJUPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022277
n12CCCCCc1nnc2C(NCc1n(cnc1)C)C	PC-id_63001240	274.365	DYGDFFCWZXYRSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022278
n12CCCCCc1nnc2C(NCc1nc[nH]c1C)C	PC-id_62743034	274.365	JNGRKOMDXHIXGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022279
n12CCCCCc1nnc2C(NCc1[nH]c(nc1)C)C	PC-id_62741247	274.365	MARLRQAIZCBHGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022280
n12CCCCCc1nnc2C(NC(c1[nH]ncc1)C)C	PC-id_60971297	274.365	DZFNPGJZNPWSMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022281
n12CCCCCc1nnc2C(NCc1n(ncc1)C)C	PC-id_43746964	274.365	GNJQVALRXISUKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022282
[N-]=[N+]=Nc1ncc2n1CCCN(C2)CC1CCCCC1	SCHEMBL16835401,PC-id_118173746	274.365	SGLVYDGAOYQNOI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022283
CCOC(=O)c1cc(c2-c1cccc(c2)S)CCC	PC-id_141580551	274.378	DSMHQTFAIUYDQA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-022284
s1c2CCCCCc2cc1C(=O)c1c(oc(c1)C)C	PC-id_63490458	274.378	RFJRQZLALAODHI-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-022285
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S(CCc1c2-c(c(c1)C(=O)OC)ccccc2)CC	PC-id_85570924	274.378	YEMMMKPZDOOAEF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-022288
c1(NC(=O)C2CC2)sc2c(CCCCCC2)c1C#N	PC-id_3636903,ZINC22_2755352,CoCoCo_6803020,EMOLS-id_3977606,TIMTEC80085,MCULE-3434522830	274.381	BMYFJJCYLBLXII-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-022289
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CCn1ncc(c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_114964440	274.381	QOODHZHCROKQSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022291
Cn1ccc(n1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_113660511	274.381	CVQKEOZDTBFOLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022292
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COc1nc2c(s1)CCN(CC2)Cc1ccccc1	SCHEMBL15001626,PC-id_89607597	274.381	MZZUPRGMHNZSBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022294
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s1c2c(CCCCC2)cc1C(=O)NC(C1CC1)C#N	PC-id_63820688	274.381	RHBWIWVSXLJKOY-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-022302
s1c2CCCCCc2nc1[C@H](N)c1ccc(O)cc1	PC-id_83344513	274.381	XGMWJCBWELJHPV-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022303
s1c2CCCCCc2nc1C(N)c1cc(O)ccc1	PC-id_83344519	274.381	ZBDAWJYBEAOZMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022304
s1c2CCCCCc2nc1C(N)c1c(O)cccc1	PC-id_83344523	274.381	QDVFPYTYFZMNAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022305
s1c(CCn2cc3CCCCC(=O)c3c2)c(nc1)C	PC-id_83207385	274.381	KRTHOCDDWUDJIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022306
s1cc(nc1CC)Cn1cc2CCCCC(=O)c2c1	PC-id_83205589	274.381	JXOSQNWDADPVAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022307
s1c(nc(c1C)C)Cn1cc2CCCCC(=O)c2c1	PC-id_83205578	274.381	HHRZFKXUHLZABD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022308
CC(C)(N1CCc2c(CC1)sc(n2)N)S(=O)[O-]	PC-id_134587454	274.383	XWDFBXWIVVDNOC-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-022309
c1ccc(CNCc2nnc3n2CCSCC3)cc1	MCULE-7559481671,ZINC22_1772806818,EMOLS-id_317886631	274.385	GCVRSOKWTVTPBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022310
c1ccc(NCCc2nnc3n2CCSCC3)cc1	ZINC22_1775981105,MCULE-9055562583,PC-id_138808355,EMOLS-id_317905883	274.385	ORSNABJFIHNMHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022311
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Cc1nc2c(s1)N(CCCC2)Cc1nccnc1C	PC-id_146081638,MCULE-2930304255,EMOLS-id_320350852	274.385	SASWIBCIXHWQRH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-022315
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NCc1cccc(c1)Sc1nnc2n1CCCCC2	PC-id_102818657	274.385	DAPHLWPNVHLXCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022317
NNC(c1cc2c(s1)CCCCC2)c1cnccn1	PC-id_105308595	274.385	BYGNTNVHYCSCQR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-022318
NNC(c1cc2c(s1)CCCCC2)c1cncnc1	PC-id_105292053	274.385	PYLHDAYEAXDEHI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-022319
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S(c1n2CCCCCc2nn1)c1c(c(N)ccc1)C	PC-id_63061904	274.385	WJATUBWWDDXLQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022325
S(c1n2CCCCCc2nn1)c1c(CN)cccc1	PC-id_43528915	274.385	VYDFOBIYAVLNIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022326
S(c1n2CCCCCc2nn1)c1c(N)cc(cc1)C	PC-id_43349618	274.385	CIFDBWUASFIURV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022327
S(c1n2CCCCCc2nn1)c1c(N)ccc(c1)C	PC-id_80068744	274.385	FALWFQYRKOHFNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022328
S(c1n2CCCCCc2nn1)Cc1ccc(N)cc1	PC-id_28402343	274.385	WHUUGEVDLGNFOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022329
S(c1n2CCCCCc2nn1)Cc1cc(N)ccc1	PC-id_28402342	274.385	TUXDYSUSGHNWGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022330
S(c1n2CCCCCc2nn1)Cc1c(N)cccc1	PC-id_28402341	274.385	KCPPYKNOTSSGMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022331
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c12-c(ccc1Cc1ccc(cc1)C)cc(C(C)C)ccc2	PC-id_19815694	274.399	LKAGEOJKPDYTJH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022334
c1(c2-c(cc(C(C)C)ccc2)cc1)CCc1ccccc1	PC-id_19815740	274.399	VAQNIQIRSACULZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022335
COCCOCOC1CCCSc2c1scc2	SCHEMBL10513483,PC-id_20194721	274.4	GOYAKIYSRLNKGB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022336
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CN1CCCCC1CCn1cc2c(c1)CCCCC2=O	PC-id_107913028	274.401	PZPOAXDQJNLDLN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-022338
N#CC(CCCCn1cc2c(c1)CCCCC2O)(C)C	PC-id_106713520	274.401	JRPXIXOTTWHUFK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022339
Cc1c2CCNCCc2sc1S(=O)(=O)N(C)C	SCHEMBL3004328,PC-id_11536391,TT-id_D09EPG	274.403	BTPRLHMJUURWQO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022340
Cc1nc2c(s1)CCN(CC2)S(=O)(=O)C(C)C	SCHEMBL19296079	274.403	PYEHIBCSVZWDPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022341
CCS(=O)(=O)c1sc2c(c1C)C(C)NNCC2	PC-id_69308627,SCHEMBL5094257	274.403	QKNRNVZHLAEWGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022342
c1cc2n(n1)C[C@@H](CN1CCCC1)CN(CC1CC1)C2	ZINC22_253604087	274.404	SWZIHYYWPLGKQV-HNNXBMFYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-022343
c1cc2n(n1)C[C@H](CN1CCCC1)CN(CC1CC1)C2	ZINC22_253604088	274.404	SWZIHYYWPLGKQV-OAHLLOKOSA-N	00100010100000000101000000000010000000000000000000000000	31-01-022344
C1CCc2nnc(CCNC(C3CC3)C3CC3)n2CC1	EMOLS-id_48265965,PC-id_75382555,ZINC22_95419793,MCULE-5297640413	274.404	ILHJEBZHYLKAAS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022345
C#CCCCC(c1cc2c(s1)CCCCC2)NCC	PC-id_105033615	275.452	GEJSQQNWMCYRIF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022838
C1CCc2nnc(CCN[C@@H]3C[C@H]4CC[C@H]3C4)n2CC1	PC-id_98793585,ZINC22_107527613	274.404	GLYTUZWGCLBYLT-MELADBBJSA-N	00000010100010000101000000000110000000000000000000000000	31-01-022346
C1CCc2nnc(CCN[C@H]3C[C@H]4CC[C@H]3C4)n2CC1	PC-id_98793586,ZINC22_107527617	274.404	GLYTUZWGCLBYLT-IHRRRGAJSA-N	00000010100010000101000000000110000000000000000000000000	31-01-022347
C1CCn2c(CC1)nnc2CCNC1CC2CC1CC2	PC-id_71914722,EMOLS-id_45679211,MCULE-4479339033	274.404	GLYTUZWGCLBYLT-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-022348
C1CCn2c(CC1)nnc2CNC1CC[C@H]2[C@@H]1CCC2	EMOLS-id_318969110	274.404	AUHDASRXHDLHBO-RFHHWMCGSA-N	00000010100000000101000000000110000000000000000000000000	31-01-022349
C(C1CN(CC2CC2)Cc2ccnn2C1)N1CCCC1	EMOLS-id_50377029	274.404	SWZIHYYWPLGKQV-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-022350
n12CCCCCc1nnc2C(NCC1CCC=CC1)C	PC-id_43746915	274.404	BWGSECJBDUJBGB-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-022351
N(C1C2CC(C1)CC2)C(c1n2CCCCCc2nn1)C	PC-id_61309176	274.404	JWIPZNUJWIPYEO-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-022352
NC1=N[C@H](CSc2c1scc2)Cc1ccccc1	SCHEMBL8186402,PC-id_57090175	274.404	YINIDNUQRSGLJK-NSHDSACASA-N	00000000100000110111000000000010000000000000000000000000	31-01-022353
N(C(C1CC1)C1CC1)C(c1n2CCCCCc2nn1)C	PC-id_43746958	274.404	PNMMCPNFLCSRCO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022354
S1CC(N=C(N)c2sccc12)Cc1ccccc1	PC-id_54510144	274.404	YINIDNUQRSGLJK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-022355
S=C1NCCN(c2c1ccs2)Cc1ccccc1	PC-id_139776038	274.404	FBOUQHILKQISCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022356
S1CC(F)(F)CSc2sc(=S)sc12	PC-id_10492582	274.418	PIMCLLRCNQPVKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022357
O=C(C1CC2CC1CC2)c1cc2c(s1)CCCCC2	PC-id_114247127	274.421	WIAIDIWBNPAUNV-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-022358
s1c2c(CCCCC2)cc1C(=O)C1=CCCCCC1	PC-id_63497304	274.421	XTMOBPBFDWRJQF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-022359
s1cc(CCn2cc3C(NC)CCCCc3c2)cc1	PC-id_83208573	274.424	MTGGACHRYYARFA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-022360
s1c(CCn2cc3C(NC)CCCCc3c2)ccc1	PC-id_83208453	274.424	ALDOFBWBNOLIJG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-022361
s1cc(Cn2cc3C(NCC)CCCCc3c2)cc1	PC-id_83212589	274.424	MXSNMQLRGSSRQT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-022362
s1c(Cn2cc3C(N)CCCCc3c2)ccc1CC	PC-id_83208784	274.424	IEFQDLWVYWHPAA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-022363
s1c(Cn2cc3C(NCC)CCCCc3c2)ccc1	PC-id_83212250	274.424	LVLUWPOCLJKGGZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-022364
C/C=c/1c(=C/CC(CC(C)C)C)[nH]c2c1CNCCC2	SCHEMBL13862051	274.444	BHKTUMNJYYFCBH-MEWBZEBMSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022365
n1(CC2CCCC2)cc2C(NCCC)CCCCc2c1	PC-id_83212838	274.444	YBLPRRBMJOXPQK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-022366
n1(CC2CCCCC2)cc2C(NCC)CCCCc2c1	PC-id_83212422	274.444	GJSYCAKHYFTQAU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-022367
[nH]1c2c(/c(=C/C)/c1=CCC(CC(C)C)C)CNCCC2	PC-id_71015999	274.444	BHKTUMNJYYFCBH-PWLFLCKYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022368
[nH]1c2c(c(=CC)c1=CCC(CC(C)C)C)CNCCC2	PC-id_77981999	274.444	BHKTUMNJYYFCBH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022369
Oc1ccc(cc1)Cc1nnc2n1N=C(Cl)CC=C2	PC-id_143496110	274.706	SRIRGWHMBKZSPQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-022370
CCCC(=O)c1nc(n2c1CCO[C@@H](C2)CF)Cl	SCHEMBL17399939,PC-id_118629859	274.719	JZIMCHOYKKKZED-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022371
Clc1ccc(cc1)Cn1ncc2c1CCCCC2=O	PC-id_107384238	274.745	WZGPUWWHHJXZSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022372
Clc1ccccc1Cn1ncc2c1CCCCC2=O	PC-id_107384239	274.745	AZVXNSLSYJVRBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022373
Clc1cccc(c1)Cn1ncc2c1CCCCC2=O	PC-id_113952765	274.745	HSAZKWXRTVQBAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022374
Clc1c(Cn2cc3CCCCC(=O)c3c2)ccnc1	PC-id_83206264	274.745	MQMIXFNGXJBXHL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-022375
C1CCC(c2c(CC1)cn[nH]2)Cc1cc(ccc1)Cl	PC-id_91803081	274.788	GXUSSNKKLQPTLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022376
CC(c1n[nH]c2CCCCCc12)c1ccccc1Cl	EMOLS-id_337934100	274.788	CUEVWKRMOJKEMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022377
CC(c1n[nH]c2CCCCCc12)c1cccc(Cl)c1	EMOLS-id_337935891	274.788	QOIPPNRKNKPMEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022378
CC(c1n[nH]c2CCCCCc12)c1ccc(Cl)cc1	EMOLS-id_337933587	274.788	AIMLMWYRUWNJRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022379
Clc1ccc(Cn2cc3C(N)CCCCc3c2)cc1	PC-id_83207921	274.788	WHWNMOGTNORDAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022380
Clc1ccc(CN2CCc3n(ccc3CC2)C)cc1	PC-id_20481361	274.788	OCTNHAXKXOWIFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022381
Clc1cc(Cn2cc3C(N)CCCCc3c2)ccc1	PC-id_83209069	274.788	FWMWTIPJEBTEMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022382
Clc1c(Cn2cc3C(N)CCCCc3c2)cccc1	PC-id_83208601	274.788	XEYUIRJDUHVKAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022383
Clc1c(CN2CCc3n(ccc3CC2)C)cccc1	PC-id_20481349	274.788	KSZWKEJUYJUHOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022384
Clc1n(nc2c1CCCCC2)Cc1cc(ccc1)C	PC-id_66014495	274.788	VMUFKCWPJLFDCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022385
Clc1n(nc2c1CCCCC2)Cc1c(cccc1)C	PC-id_66015899	274.788	ZHEDSSKSPGSBEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022386
Clc1n(nc2c1CCCCC2)Cc1ccc(cc1)C	PC-id_66020760	274.788	BJYKTKDVVCOQAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022387
CC1=NC2=C(S1)C=C=IC=C2	PC-id_153653321	274.927	YRYGXRZGYWFWHC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-022388
C1CC2=C(CN(C1)C(=O)O)C=C(S2)Br	PC-id_162348841	274.962	KCIZHDQFMIVIIM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022389
C1CCN(C2=C(C1)SC(=C2)Br)C(=O)O	PC-id_162348845	274.962	UVQCLKRDTBKPDR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022390
C1CN(CCC2=C1C=C(S2)Br)C(=O)O	PC-id_153817963	274.962	LYPLBCNUGCUYQT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022391
CN1C2=CC=CI(C=C2N=N1)C	PC-id_154029801	274.992	ZQNVOQIDDMFWPP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-022392
CCC(N1C/2=NC(=C=CC/C=C2/C=N1)C(=O)C#C)(F)F	PC-id_153353917	275.087	IPFNJCYWXMXBKA-OIAJVEJOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-022394
COC(=O)c1c2CCOCCn2c(n1)Br	SCHEMBL15968716,PC-id_90354561	275.099	ARFHAJWJHSXURO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022395
BrCCCC1CCCCc2n1c(=O)on2	PC-id_23500559,SCHEMBL6798426	275.142	IEVOPZCUDQADFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022396
C1CCCN2C(=NN=C2COC3=CC=CC=C3F)CC1	PC-id_154782419,MCULE-8719653854,EMOLS-id_317726653	275.143	BILHXFKYFIMKQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022397
CC1=NN2CCC(CN(C2=C1)C)NC(=O)C3=NC=NN3	PC-id_154021336	275.149	PJKHHYFHVUUQBJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022398
CN1C=C(C=N1)N(C)C(=O)[C@H]2CCC3=NN=NN3CC2	ZINC22_570520569,PC-id_164631297	275.149	ZGBXCFWRYJFLKN-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-022399
OC(=O)c1c2c(CCCCC2)sc1Br	MCULE-3425604594,PC-id_82374906,EMOLS-id_114863779	275.162	FFHYOVMCRHAREF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022400
BrC1CCCCc2nc(sc2C1=O)N	PC-id_59549562,SCHEMBL13125933	275.165	XNXKBSIJNOOQBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022401
Brc1nc2c(s1)C(=O)NC(CC2)(C)C	SCHEMBL2477036,PC-id_67422862	275.165	MRWPRZFEAPUOTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022402
CC1(C)CNC(=O)c2sc(Br)nc2C1	MCULE-1920364217,EMOLS-id_49842497,PC-id_59557796,SCHEMBL302929	275.165	BZLQZQYZAQEKDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022403
C1C[C@@H]2[C@](C1)(CCN2)C(=O)N3CCCN4C(=CN=N4)C3	MCULE-1172998841,EMOLS-id_317731268,PC-id_154807785	275.175	LUSWJRSZGYZEAC-OCCSQVGLSA-N	00000010100000000101000000000110000000000000000000000000	31-01-022404
BrC=C(c1cc2-c(c(cc1)C)ccc2C)C	PC-id_85602317	275.184	JDSXEFHXVHJIKU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-022405
BrCC(=C)c1cc2-c(c(cc1)C)ccc2C	PC-id_14293219	275.184	IJZXBWNONVDASS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-022406
CC(C)N1CCCc2c(C1)sc(n2)Br	PC-id_91666239	275.208	IVAJUQHHCHGZOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022407
CCOC(=O)c1c2-c(n(c1=O)CC(=O)O)ccccc2	SCHEMBL11282506,PC-id_12852669	275.257	XAJPDAFPEBAZTG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-022408
O=c1c(cc2n(ccc2cc1C(=O)OC)C)C(=O)OC	PC-id_21827908	275.257	QCWCRNFIFPURLF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-022409
FC(F)(F)COCCn1cc2CCCCC(=O)c2c1	PC-id_83208590	275.267	DSSZBWXBQBNCQI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022410
O=C1C(CCn2c(N1C)ccn2)NC(=O)c1ncn[nH]1	PC-id_140764667	275.267	DOUWOVNCDCZNHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022411
O=C1C(CCn2c(N1C)cnc2)NC(=O)c1n[nH]cn1	SCHEMBL18372667	275.267	XIUWRGUYEHTNLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022412
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1nnc[nH]1	SCHEMBL18372805	275.267	DOUWOVNCDCZNHB-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022413
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCC(F)(F)F	EMOLS-id_319637680	275.27	JMPLSVRXNUEKSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022414
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC	PC-id_19523844	275.27	CSAVDDQHKAKBBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022415
CC#CCCC(c1cc2c(s1)CCCCC2)NCC	PC-id_105037058	275.452	WSMWRFRTUVZIGP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022839
c12C(=O)NCCCc1[nH]c(COc1ccccc1F)n2	EMOLS-id_46638374,MCULE-2118720102,PC-id_72914416,ZINC22_95382242	275.278	KSZSRNBMTIOVCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022416
C1CN(Cc2cc(=O)[nH]n2C1)C(=O)c1ccc(cc1)F	SCHEMBL16309499,PC-id_86706494	275.278	VVTHNYHKMMAWAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022417
O=C(c1cccc(c1F)O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319009927	275.278	XEKKKSCAMHJQFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022418
O=C(c1ccc(c(c1)O)F)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318893319	275.278	SNUYBGNKWJJRHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022419
Fc1cccc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102171497	275.282	SOWUVNOXCGXMRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022420
Fc1ccc(cc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102171542	275.282	IJUZTQYQZIIOEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022421
Fc1cncc(c1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-4742933608,EMOLS-id_319895687	275.282	UZLGTGZSKDSMRP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-022422
O=C(c1ccccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102171527	275.282	MKMPGJUMCLOTFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022423
Fc1cc(Cn2cc3CCCCC(=O)c3c2)ccc1F	PC-id_83206690	275.293	KCGZSTBMHFZQGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022424
Fc1cc(F)cc(c1)Cn1cc2c(c1)CCCCC2=O	PC-id_105405026	275.293	AQNDUEGIPVFYBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022425
Fc1c(Cn2cc3CCCCC(=O)c3c2)cccc1F	PC-id_83207598	275.293	VSFDLUBXYZRHHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022426
Fc1c(Cn2cc3CCCCC(=O)c3c2)ccc(F)c1	PC-id_83205876	275.293	CXFCVNUBPCAYMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022427
Fc1c(Cn2cc3CCCCC(=O)c3c2)cc(F)cc1	PC-id_83206381	275.293	PAWJSGNFNOKLTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022428
O=C1CCCCc2c1cn(c2)Cc1c(F)cccc1F	PC-id_114930861	275.293	AMJXSYDZDOFPLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022429
O(c1ccc2-c(ccc2C#N)cc1)c1ccc(OC)cc1	PC-id_10731092	275.301	PZKNOAJOPJDDLY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022430
O=C(c1ccc2-c1ccc(cc2)C(=O)N)c1ccccc1	PC-id_145991172	275.301	VBELKVMIBQOQGY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022431
[O-][N+](=O)c1c(/C=C/c2c3-c(cc2)ccccc3)cccc1	PC-id_11231182	275.301	JGPJBPBOZAAAAH-OUKQBFOZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022432
[O-][N+](=O)c1c(C=Cc2c3-c(cc2)ccccc3)cccc1	PC-id_71376503	275.301	JGPJBPBOZAAAAH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022433
[O-][N+](=O)c1ccc(cc1)/C=Cc1ccc2-c1ccccc2	PC-id_102507044	275.301	HEQBUUPDCZXJIW-TWGQIWQCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022434
[O-][N+](=O)c1ccc(/C=C/c2c3-c(cc2)ccccc3)cc1	PC-id_11242824	275.301	HEQBUUPDCZXJIW-RMKNXTFCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022435
[O-][N+](=O)c1ccc(C=Cc2c3-c(cc2)ccccc3)cc1	PC-id_71358277	275.301	HEQBUUPDCZXJIW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022436
[O-][N+](=O)c1ccc(C=Cc2cc3-c(c2)ccccc3)cc1	PC-id_86005071	275.301	LRUBJUPZMXMDBQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022437
CNC1C(=O)N(CCc2c1occ2)Cc1cnc(o1)C	SCHEMBL14172456,PC-id_23555063	275.303	SPNNVVJELFAPMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022438
COc1ccc(o1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319382889	275.303	GGSPYEPRDDOEBE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-022439
COc1cc(nn1C)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99400245	275.303	KPDWEMPCPNSKID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022440
COc1nn(cc1C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_316790789	275.303	SWHLKTSQBLZHJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022441
COCC1CN(Cc2nccn2C1)C(=O)c1ccco1	PC-id_118740970,EMOLS-id_46148431	275.303	OJBIOTAVYQBBDN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-022442
COCC1CN(Cc2nccn2C1)C(=O)c1ccoc1	EMOLS-id_46148433	275.303	HZCZGZCRYMSSKC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-022443
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C1CCN(CC1)C(CC=O)N1CCCCc2c1cc[nH]2	SCHEMBL7009072,PC-id_88073867	275.389	UIHNMVDDHGMDQV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-022734
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c1(C(=O)NC2CCCCCC2)c2CCCCCc2[nH]n1	EMOLS-id_334971672,MCULE-2247025159	275.389	BFRVNNFFXMEWKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022736
c1nc(COCC2CC2)c2n1CCCN(CC1CC1)C2	ZINC22_96059028,EMOLS-id_46148347,PC-id_97381681	275.389	GDKFBLQTNBSZBM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022737
CC1CCCC1CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_102858539	275.389	XNDWNPPQKXHMIW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022738
CC1CCC(C1)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_102858843	275.389	CVCRUYLWAJASFT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022739
CC1CC(C)CN(C1)C(=O)c1n[nH]c2CCCCCc12	EMOLS-id_334724025,MCULE-6840061729	275.389	WHXXPOJGDYIZQN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022740
CC1CCN(CC1)C(=O)Cn1cc2c(n1)CCCCC2	CoCoCo_2192238,PC-id_20892413	275.389	OGYBRBXYWQZHDH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022741
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1C(C1(C)C)(C)C	EMOLS-id_319065818	275.389	SVNVVTPQQADYNI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022742
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCC1(C)C	EMOLS-id_318800327	275.389	WHVUIRJWFNPULG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022743
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(C)CCCCC1	EMOLS-id_319640518	275.389	HDLVVPUDBQYWEM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022744
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCCCC1	EMOLS-id_319680309	275.389	UCEIXKUZJFKCGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022745
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(C1CCCC1)C	MCULE-1612733526,EMOLS-id_319818742	275.389	VQWNFXFDSSDUCW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022746
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1CCCCC1	EMOLS-id_319729521	275.389	NDNRTHJMQZTOTJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022747
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1(C)CCCC1	MCULE-4754169681,EMOLS-id_320248079	275.389	HYJDRLOWMFYUQC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022748
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(C1CC1)(C)C	EMOLS-id_319134758	275.389	ZOQSWZSPMJWWIK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022749
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCC1CCCC1	EMOLS-id_318852837	275.389	YYLUHWKQLLZIJJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022750
Cc1c[nH]c2c1C(=O)N(CCC2)CCN1CCCCC1	PC-id_68524831,SCHEMBL3136269	275.389	UGLDMSASAOFSFK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-022751
CC(C)[C@]1(C)C[C@H]1C(=O)N1CCCc2c(cnn2C)C1	ZINC22_335186394	275.389	XKWRKZYTUKSUDH-BBRMVZONSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022752
CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCCc2c(cnn2C)C1	ZINC22_335186395	275.389	XKWRKZYTUKSUDH-CJNGLKHVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022753
CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCCc2c(cnn2C)C1	ZINC22_335186396	275.389	XKWRKZYTUKSUDH-CZUORRHYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022754
CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCCc2c(cnn2C)C1	ZINC22_335186397	275.389	XKWRKZYTUKSUDH-XJKSGUPXSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022755
C/C=Cc1nn2c(c1C=C)C(OCCC2)CN(CC)C	SCHEMBL19335043	275.389	QXNQXENKZVBVFV-UITAMQMPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022756
CCCCC1(CC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319679220	275.389	IIGIAPZIYAEOKU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022757
CC(C)CC1N(CCCn2ccnc12)C(=O)C1CCC1	EMOLS-id_97038850,MCULE-1139538999	275.389	LFIZKOPIAFTEQF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-022758
CC(CC(=C)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)C	EMOLS-id_319842869	275.389	QNYYGBKXQPMENT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022759
C[C@@H]1CC[C@H](CC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319165809	275.389	DBNSHYDLABNBJO-DHKXFDHISA-N	00000000100010000101000000000010000000000000000000000000	31-01-022760
CC(N1CCCn2c(C1)ccc2C(=O)N1CCCC1)C	EMOLS-id_317416031,MCULE-3442269376	275.389	BUZDJDQNJUSIMW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022761
CN(C1CCCCC1)C(=O)c1n[nH]c2CCCCCc12	EMOLS-id_334734008,MCULE-8557564324	275.389	GSCKKIFHZPZDNU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022762
N=Cc1[nH]c2c(c1)CCCCCCCCCC2C(=O)N	PC-id_143751722	275.389	YSSPKHUINPOEAR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022763
O=C1c2c(CCCC1)cn(CCN1CCN(CC1)C)c2	PC-id_83205591	275.389	MOHMBPIHPLJDRH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022764
O=C1N(CCCc2c1ccn2C)CCN1CCCCC1	PC-id_141172407	275.389	WPGPLZUEGWQOLA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-022765
O=C1N[C@H](CSc2c1scc2)Cc1ccccc1	PC-id_142023484	275.389	NVEUZSUZKFPXCM-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-022766
O=C(C1CC1(C)C(C)C)N1CCCc2c(C1)cnn2C	MCULE-7657426756,EMOLS-id_102915405	275.389	XKWRKZYTUKSUDH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022767
O=C(C1CCCC1(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_102915402	275.389	WNGCMUSIARQAHF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022768
O=C(N1CCc2c(CC1)nc[nH]2)CCC1CCCCC1	PC-id_142022572	275.389	GVPNUGNYXDRKSF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022769
O=C(N1CCCC1)Cn1cc2C(NC)CCCCc2c1	PC-id_83207872	275.389	TWYLHBGCPQYOKL-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-022770
O=C(N1CCCc2c(C1)cnn2C)C1CCC(C1)(C)C	EMOLS-id_102920527	275.389	ZGGCBVAWQBMCMT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022771
O=C(N1CCCc2c(C1)cnn2C)C1CCCCCC1	EMOLS-id_102856764	275.389	MRKNPTHEFCYQID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022772
O=C(N1CCCc2c(C1)cnn2C)CC1CCCCC1	EMOLS-id_102855668	275.389	QJQYQZZAIWEGDI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022773
O=C(N1CCCc2[nH]cnc2CC1)CC1CCCCC1	PC-id_20803050	275.389	QFRDQLVFENNFSC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022774
O=C(N1CCCCC1)Cn1cc2C(N)CCCCc2c1	PC-id_83209136	275.389	QJIWCVUIKJZKOH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-022775
O=C(N1CCCCc2c1cc[nH]2)CCN1CCCCC1	SCHEMBL6319520,PC-id_22561894	275.389	KFRXCIPANUVVIA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-022776
O=C(N(C1CC1)CC)Cn1cc2C(N)CCCCc2c1	PC-id_83208771	275.389	XXDVQGDICTVAHD-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-022777
O=C(N(C1CC1)C)Cn1cc2C(NC)CCCCc2c1	PC-id_83208067	275.389	MZKDYIVRNQKWBP-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-022778
O=C(NC1CC1)CCn1cc2C(NC)CCCCc2c1	PC-id_83208262	275.389	FOJVVEGQUMQZCV-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-022779
O=C(NC1CC1)Cn1cc2C(NCC)CCCCc2c1	PC-id_83213327	275.389	MARZDCPLXSTETN-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-022780
O=C(NC1CCCC1)Cn1cc2C(N)CCCCc2c1	PC-id_83208230	275.389	MXEQHMXTXQWYES-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-022781
O=C(NC1CCCC1)Cn1nc2c(CCCCCC2)c1	PC-id_20892482	275.389	DLVKILXJGAZDKR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022782
O=C(NCC1CC1)Cn1cc2C(NC)CCCCc2c1	PC-id_83208165	275.389	OUAVYUNGGOJWNA-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-022783
CC(C)(N1CCc2c(CC1)sc(n2)N)S(=O)O	PC-id_134587455	275.391	XWDFBXWIVVDNOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022784
Nc1nc2c(s1)CCN(CC2)C(S(=O)=O)(C)C	SCHEMBL20239930	275.391	WMXBTIOCINYMTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022785
Nc1nc2c(s1)CCN(CC2)S(=O)(=O)C(C)C	PC-id_118980787,SCHEMBL17632225	275.391	DHDUVZXFILALDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022786
C1CC(NC2CCn3c(CC2)nnn3)CC(C1)C1CC1	EMOLS-id_102028211	275.392	LMQZATHPROCJDG-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-022787
CC1CCC=C(C1CNC1CCn2c(CC1)nnn2)C	EMOLS-id_102000513	275.392	UXXVAZCQAOFVIO-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-022788
C1CCN(C1)Cc1nnc2n1CCCN(C2)CC1CC1	PC-id_97519707	275.393	XMCPCCJOGOXICQ-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-022789
C1CCN(Cc2nnn3c2CN(CC2CC2)CCC3)C1	ZINC22_96259482,PC-id_97519565,EMOLS-id_44370514	275.393	VVRPHLKUVJLOIQ-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-022790
Cn1ccc(n1)CC(c1cc2c(s1)CCCCC2)N	PC-id_105025698	275.412	ITFAEIGEYAQQSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022814
C=CCN1CCN(Cc2nnc3n2CCCCC3)CC1	CoCoCo_4642489,PC-id_45805773,EMOLS-id_29685081,MCULE-1675399716,CoCoCo_4642488,ZINC22_40489665	275.393	QGTOVEJXIOBAGS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022791
C#CCCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_113256121	275.409	PKEFLIGCQMRUOR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022792
C#CC(C(C)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_114202453	275.409	VKQBZPKXXIMHLS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022793
CCCC(NC(=O)c1cc2c(s1)CCCCC2)C#C	PC-id_106228599	275.409	HJVJPODWUMPBCI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022794
C#CCC(NC(=O)c1cc2c(s1)CCCCC2)CC	PC-id_115647372	275.409	WGWPYVLJCQOWQM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022795
CCNC(c1cocc1)c1cc2c(s1)CCCCC2	PC-id_115855378	275.409	JBMZPXHNZBGKHU-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-022796
CNC1/C=CCc2sc(cc2CCC(=C)C1)C(=O)C	PC-id_142995494	275.409	MSQIZGXBDPIGPZ-PLNGDYQASA-N	00000000100000000110000000000010000000000000000000000000	31-01-022797
CNC(c1cc2c(s1)CCCCC2)Cc1ccco1	PC-id_105029473	275.409	UFJJSLHXNLOZQW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-022798
CNC(c1cc2c(s1)CCCCC2)Cc1cocc1	PC-id_105030057	275.409	KLOATHJLYFEQBC-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-022799
s1c2c(CCCCC2)cc1C(N)c1c(oc(c1)C)C	PC-id_61714826	275.409	BZWPCJUATKUVFH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-022800
s1c2c(CCCCC2)cc1C(N)c1oc(cc1)CC	PC-id_55061551	275.409	PKXDASWVRBXBKU-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-022801
s1c2c(CCCCC2)cc1C(NC)c1oc(cc1)C	PC-id_61712451	275.409	YYSDMHMJYVZLOV-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-022802
s1c2c(CCCCC2)cc1C(NCC)c1occc1	PC-id_61712018	275.409	ACBCZXUNDNNYQC-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-022803
s1c2c(CCCCC2)cc1C(=O)C(CC(C)C)C#N	PC-id_61647510	275.409	MRXJVGVHUTXYTL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022804
s1c2CCCCCc2cc1C(=O)N(CCC)CC#C	PC-id_78970310	275.409	ITEMKVPMPRHZKL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022805
s1c(Cn2cc3C(O)CCCCc3c2)ccc1CC	PC-id_83208564	275.409	FNWBITDUHGEBLQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-022806
c1(C#N)c2CCCCCc2sc1N=CN(CC)CC	ChEMBL-DNDi_CHEMBL1499920,PC-id_3656901,MCULE-7756380820	275.412	PPVOJXPATLBXCS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022807
Cc1nccn1CCCN1CCCc2c(C1)ccs2	PC-id_75433484,EMOLS-id_48753298	275.412	BMZCZMKAGAVICL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022808
CCn1ncc(c1)C(c1cc2c(s1)CCCCC2)N	PC-id_115816365	275.412	QUZDRJPKQYVXJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022809
CCn1nccc1C(c1cc2c(s1)CCCCC2)N	PC-id_115858281	275.412	DARBIIMBYAYYJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022810
CCNC1CCCCc2c1cn(c2)Cc1cncs1	PC-id_112641732	275.412	DOFGQNNAHSHYAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022811
CCN(CC)/C=N/c1sc2CCCCCc2c1C#N	PC-id_9629838,STOCK2S-40715,EMOLS-id_3742882,TIMTEC385613,CK3022508,ZINC22_18324785,CoCoCo_1767834	275.412	PPVOJXPATLBXCS-GZTJUZNOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022812
CCN(/C=Nc1sc2c(c1C#N)CCCCC2)CC	CoCoCo_1767835	275.412	PPVOJXPATLBXCS-BOPFTXTBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022813
Cn1ncc(c1)CC(c1cc2c(s1)CCCCC2)N	PC-id_115821974	275.412	UKFZLCUTYLTVEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022815
CNC(c1ccn(n1)C)c1cc2c(s1)CCCCC2	PC-id_103134682	275.412	HOCGNMJJTFLWAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022816
CNC(c1ccnn1C)c1cc2c(s1)CCCCC2	PC-id_115858701	275.412	ASEMONOOJBRRSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022817
NC(c1cc2c(s1)CCCCC2)Cc1nccn1C	PC-id_105011640	275.412	PYLPISWXBXVUCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022818
s1c2c(CCCCC2)cc1C(N)c1n(CC)ccn1	PC-id_61314587	275.412	JMHWCIGOWIXMPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022819
s1c2c(CCCCC2)cc1C(NC)c1cn(nc1)C	PC-id_43485855	275.412	VZFGEAWPWKZRKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022820
s1c2c(CCCCC2)cc1C(NC)c1n(ccn1)C	PC-id_61316504	275.412	NCOXSFKEZFENIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022821
s1c2c(CCCCC2)cc1C(NC)Cc1[nH]ccn1	PC-id_43487052	275.412	BIMRVLDFQHPDOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022822
s1c(CCn2cc3C(N)CCCCc3c2)c(nc1)C	PC-id_83207923	275.412	YJBNNHILEGJSGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022823
s1c(Cn2cc3C(NC)CCCCc3c2)cnc1C	PC-id_83208076	275.412	SDERHTKHXCKACI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022824
s1cc(nc1CC)Cn1cc2C(N)CCCCc2c1	PC-id_83208879	275.412	FINWWHOUVXOZHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022825
s1cc(nc1C)Cn1cc2C(NC)CCCCc2c1	PC-id_83209084	275.412	JCUVWPLAHOITLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022826
s1cc(nc1)Cn1cc2C(NCC)CCCCc2c1	PC-id_83207803	275.412	PNSFJZDRLKTCPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022827
s1c(nc(c1C)C)Cn1cc2C(N)CCCCc2c1	PC-id_83207847	275.412	CIFFMBYANMZKFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022828
s1c(nc(c1)C)Cn1cc2C(NC)CCCCc2c1	PC-id_83207790	275.412	UUWYKAQPEXGRNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022829
s1c(ncc1)Cn1cc2C(NCC)CCCCc2c1	PC-id_83208370	275.412	RIEFWJNTLQVMEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022830
O=C1c2c(CCCC1)cn(CCCCCCCCC)c2	PC-id_83207277	275.429	CSMIIOGMRZROJE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022831
CN1CCCCC1CCn1cc2c(c1)CCCCC2N	PC-id_107913110	275.432	DEDMYLNSLBTPHC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-022832
N1(CCCC1)CCCn1cc2C(NC)CCCCc2c1	PC-id_83209074	275.432	GEAMTCZXFOKUNM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-022833
N1(CCn2cc3C(NC)CCCCc3c2)CCCCC1	PC-id_83208646	275.432	QWFPDWDPUVDJBQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-022834
N1(CCn2cc3C(NCC)CCCCc3c2)CCCC1	PC-id_83207992	275.432	DUNNIJJFPGIDHJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-022835
N(C1CC1)Cc1[nH]c2c(n1)CCCCCCCCCC2	PC-id_63927610	275.432	PMEIPMLCERDNRC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022836
C#CCCC(c1cc2c(s1)CCCCC2)NCCC	PC-id_115859234	275.452	GYMPFPOAIPRMFU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022837
s1c2c(CCCCC2)cc1C(N)C1=CCCCCC1	PC-id_63506965	275.452	YALWSHHBZCGSCU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-022841
s1c2c(CCCCC2)cc1C(NC)C1=CCCCC1	PC-id_63502629	275.452	NOJVYBTZZDVTPS-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-022842
s1c(C(NCC)C2=CCCC2)cc2c1CCCCC2	PC-id_63506630	275.452	NPTZDMLNFKNZHN-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-022843
CCC(c1c(C)c2[nH]c1C(C)(C)CCCC2(C)C)(C)C	PC-id_145557009	275.472	VLNZXVLIARUDIX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022844
Clc1c2-c(cc(OCC)c2)cc(Cl)cc1Cl	PC-id_10826283	275.558	CZNHFOQOORKCRH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-022845
c12C(=O)NCCCc1[nH]c(Cc1cccc(Cl)c1)n2	MCULE-3327889135,PC-id_50951648,EMOLS-id_32374796,ZINC22_65374280	275.733	VNFDBGBQKOLSTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022846
Clc1ccc(C(=O)N2CCc3[nH]cnc3CC2)cc1	PC-id_22390920	275.733	JQUQNDDOPHASSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022847
ClC(C(=O)O)CSc1nnc2n1CCCCC2	PC-id_104310003	275.755	PHMPIIYPSBBFHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022848
Clc1ccc(Cn2cc3C(O)CCCCc3c2)cc1	PC-id_83208336	275.773	MVFQIDSAZMWTQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022849
Clc1cc(Cn2cc3C(O)CCCCc3c2)ccc1	PC-id_83208560	275.773	RFVDHIPFTMGEBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022850
Clc1c(Cn2cc3C(O)CCCCc3c2)cccc1	PC-id_83207770	275.773	HCIMEUCZLGIGRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022851
Clc1ccc(cc1)Cn1ncc2c1CCCCC2N	PC-id_107384475	275.777	HNLPJPXLJIXBPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022852
Clc1cccc(c1)Cn1ncc2c1CCCCC2N	PC-id_107384478	275.777	WOCHYPJGTVTAGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022853
Clc1ccccc1Cn1ncc2c1CCCCC2N	PC-id_107384481	275.777	KSCKFTMJDSPOGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022854
Clc1c(Cn2cc3C(N)CCCCc3c2)ccnc1	PC-id_83208623	275.777	YVTXJSVKRQCZMY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-022855
ClCCOCCSc1n2CCCCCc2nn1	EMOLS-id_39942863,PC-id_63665867	275.798	UFUURVZBCLUXCY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022856
ClCCCCN1CCSc2c(C1=O)ccs2	SCHEMBL9040624,PC-id_19881109	275.818	KHHDXAYOGGRZPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022857
C1=CC=C(C2=CC=CC2=C1)OS(=O)(=O)C(F)(F)F	PC-id_153896902	276.007	LWTKBZMVMLLQHL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-022858
CC1=C2C(=C(S1)C)OCC(CO2)(CS)CS	PC-id_164734474	276.031	SNCYXUVQDGAELH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022859
c12C(=O)NCCCn1cc(I)c2	EMOLS-id_49266905,SCHEMBL14250261,MCULE-1235688712,PC-id_71118544	276.074	UMKZVJBIUNNZPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022860
IC1CCc2[nH]ccc2NC1=O	PC-id_19067056,SCHEMBL8623203	276.074	XLSOIGHRQMQLJQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022861
CNC(=O)C(C#N)C(=O)C1=CC2=C(S1)CCCCC2	MCULE-2690358833,EMOLS-id_48217086,PC-id_154774649	276.093	CNMLFUPTSPGJTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022862
Brc1c2OC(C(=O)NC(=O)c2sc1)C	PC-id_67958927,SCHEMBL9902213	276.107	RDLWTWDFDRCSPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022863
n1(cc2C(NCCC)CCCCc2c1)CCCC(C)C	PC-id_83213419	276.46	JASYXXYUQHYBFM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023421
C=C([B-](F)(F)F)CSc1nnc2n1CCCCC2	PC-id_106746938	276.109	PZIHUSKCEIIABY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022864
COC(=O)C(C1=CC=CC=C1)C2=C3C=CC=CC=C3C=C2	PC-id_150502621	276.115	HYDCVUGXFPGADY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022865
Cn1c2c(CCCCC2)c(I)n1	MCULE-4127150421,PC-id_71279463,EMOLS-id_317682138,SCHEMBL14737125	276.117	CLLGHAWJSOENRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022866
Cn1c(I)c2c(CCCCC2)n1	PC-id_71280229,SCHEMBL14738139,EMOLS-id_262193228,MCULE-1110028478	276.117	GEBQYHWMMVMHCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022867
CN1C=CN=C1C(=O)N[C@H]2CCC3=NNC(=O)N3CC2	PC-id_164636829	276.133	UBZSSLPQNOLUKF-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022868
C[C@@]1(CCC(=O)NC1)C(=O)N2CCCC3=C(C2)C=CO3	PC-id_164639568,ZINC22_289803691	276.147	RRTFNQUDKBJNKG-HNNXBMFYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-022869
Brc1sc2c(CCCN(C2)C(=O)O)c1	PC-id_68383663,SCHEMBL12810891	276.15	MJEAFJDJLVLXLE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022870
Brc1sc2c(CC(NCC2)C(=O)O)c1	PC-id_83694114	276.15	MYAURHRITFGIRB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022871
Brc1sc(c2CCCNCc12)C(=O)O	PC-id_84019620	276.15	PXUBNDYXTKZGCI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022872
CC1=CC(=C2C=CC(=C2C(=C1)C)C(C3=CC=CC=C3)O)C	PC-id_153795031	276.151	ZVBICUDOCHZJSM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022873
Brc1sc2C(CCCCc2c1)CON	SCHEMBL12485146,PC-id_68286787	276.193	SMMDOVQLERRSMA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022874
Brc1sc2c([C@@H](OC)CN(CC2)C)c1	PC-id_69173128,SCHEMBL4748908	276.193	JNTIAMDQFDROAU-QMMMGPOBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022875
Brc1sc2c(C(OC)CN(CC2)C)c1	SCHEMBL3308477,PC-id_68590439	276.193	JNTIAMDQFDROAU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022876
Brc1sc2C(OC)CN(CCc2c1)C	PC-id_69174503,SCHEMBL4751943	276.193	PFUQLCZSOCUYPT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022877
CONC1CCCCc2c1sc(c2)Br	SCHEMBL15443378,PC-id_89945419	276.193	VSNPDHDBPQQDOC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022878
C1CCCC2=C(CC1)C(=NN2)C(=O)NN3CCCCC3	PC-id_154048820	276.195	RSHDZUWTLKHSIY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022879
BrCCSc1n2CCCCCc2nn1	EMOLS-id_37644442,PC-id_43445904	276.197	SYBRFUQOYDLOPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022880
OC(=O)c1cc2CN(CCCc2[nH]1)C(=O)C(F)(F)F	EMOLS-id_331220009	276.212	SOYSVTTWJLBZEF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022881
Brc1sc2CCCN=C(SC)c2c1	PC-id_85717868	276.216	VAQPIEYKLPNWGQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-022882
c1ccc2-c(c(cc2)OS(=O)(=O)C(F)(F)F)cc1	PC-id_85785838	276.232	QQLMYXHYQAFIMR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-022883
S(=O)(=O)(Oc1cc2-c(c1)ccccc2)C(F)(F)F	PC-id_11471373	276.232	SSONNJWCUUGJCN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-022884
o1c2-c(c(c1=O)C(=O)OCC)ccccc2OC(=O)C	PC-id_616446	276.241	MJIOLDIQOMOVRC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-022885
O=C(O)c1ccc(Cn2cnc3c2NC=NCC3O)o1	PC-id_44284661,CHEMBL36385,BindingDB_PC-id_44284661	276.248	KGOSOHNEXZQBFQ-UHFFFAOYSA-N	00000000101000000111000000000010000000000000000000000000	31-01-022886
O(C(=O)c1n2ncc(c2ncc(=O)c1C)C(=O)N)CC	PC-id_12680698	276.248	IXBDHXNXTHZPJZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-022887
O=C(c1c[nH]nc1[N+](=O)[O-])N1CCCc2n[nH]cc2C1	EMOLS-id_316183127,ZINC22_952892531,MCULE-1929472929	276.251	OJCVIJSHUULXDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022888
n1nc2-c(n1)ccc(cc2)Oc1ccc2-c(cc1)nnn2	PC-id_142775199	276.253	HTSFMLSKRCECDD-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-022889
c1(C(F)(F)F)nn(c2OCCCC(=O)c12)C(C)(C)C	EMOLS-id_320451345,MCULE-4656835804	276.255	PUCSXSAYZZUESR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022890
OC(=O)c1c(CC(F)(F)F)nn2CCCCCCc12	EMOLS-id_337771557	276.255	LTFVADJJRPSLOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022891
c1(cn2c(CCNCC2)n1)C(=O)N(C)CC(F)(F)F	EMOLS-id_331153200,MCULE-1511093247,ZINC22_1875251228	276.258	ZSFQFPDROLSTHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022892
c1(C(=O)NC(C)C(F)(F)F)cn2c(CCNCC2)n1	MCULE-3935591559,EMOLS-id_331093282	276.258	VPCGBILXZRAXON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022893
CC(c1nnc2n1CCCCC2)NC(=O)C(F)(F)F	PC-id_60707584,EMOLS-id_107065621	276.258	OXXIOTMRPDXIOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022894
C[C@@H](NC(=O)c1cn2c(n1)CCNCC2)C(F)(F)F	ZINC22_1875247933	276.258	VPCGBILXZRAXON-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022895
C[C@H](NC(=O)c1cn2c(n1)CCNCC2)C(F)(F)F	ZINC22_1875247934	276.258	VPCGBILXZRAXON-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022896
CN1C(=O)CCCn2c1cc(n2)CNCC(F)(F)F	PC-id_145225255	276.258	MXQFCXPJPKRXQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022897
O=C(C1CCn2c(CC1)nnc2)N[C@H](C(F)(F)F)C	EMOLS-id_319831919	276.258	OITRFCWBTJPJGW-JAMMHHFISA-N	00000000100000000101000000000010000000000000000000000000	31-01-022898
Fc1ccccc1C(=O)N1CCc2n[nH]c(=O)n2CC1	EMOLS-id_50589885,MCULE-9557127430,PC-id_91922342	276.266	DWKVCVCSYFYJDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022899
O=C(c1ccc(c(c1)O)F)N1CCCn2c(C1)cnn2	EMOLS-id_319013837	276.266	VGGIGUJNMHWYOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-022900
[O-][N+](=O)c1cn2c(n1)OCCN(CC2)S(=O)(=O)C	PC-id_71571175,SCHEMBL14965846	276.27	FCGOKONDXVQQAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022901
CCOC(=O)c1c(oc2c1cc(ccc2=O)C(C)C)O	PC-id_135516692	276.285	YAMZQSNDKWFGNX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-022902
CCOC(=O)c1c(oc2c1ccc(cc2=O)C(C)C)O	PC-id_137229710	276.285	PMEIUGXLJPEQNJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-022903
o1c2-c(cc(C(C)C)ccc2O)c(c1=O)C(=O)OCC	PC-id_54718967	276.285	VUGQIEDWXJFVTO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-022904
O=C(c1cc(c2-c1ccccc2)C(=O)O)c1ccccc1	PC-id_139771645	276.286	KLBUHIMQMRPMES-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022905
O=C(c1ccc2-c1ccc(cc2)C(=O)O)c1ccccc1	PC-id_145987531	276.286	BIVIZHDMMVXLLG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022906
O=C1NC(=O)C(C1)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_316630273	276.288	FWMKRSZVPGSZKW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-022907
O=C(C(=O)c1c(N)nc2-c1ccccc2)c1ccccc1	PC-id_101457277	276.289	DJKOJFHKXDLHKE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022908
[O-][N+](=O)c1ccc(/N=C/c2c3-c(cc2)ccccc3)cc1	PC-id_15514719	276.289	YNYYSDGCYSZLEK-LDADJPATSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022909
Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2CO)on1	ZINC22_585097465	276.291	LZAICCMNGMOZMV-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022910
Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2CO)on1	ZINC22_585097467	276.291	LZAICCMNGMOZMV-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-022911
Cc1cc(on1)C(=O)N1Cc2ccnn2CCC1CO	EMOLS-id_313741749	276.291	LZAICCMNGMOZMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022912
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1nocc1	EMOLS-id_319642809	276.291	BMEKJMBBPNGVCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022913
Cc1nnn2c1COC[C@@H](CNC(=O)c1ccoc1)C2	PC-id_97469394,ZINC22_96199321	276.291	MDQNSHNBIARYMW-JTQLQIEISA-N	00000000101000000101000000000010000000000000000000000000	31-01-022914
Cc1nnn2c1COC[C@H](CNC(=O)c1ccoc1)C2	PC-id_97469395,ZINC22_96199322	276.291	MDQNSHNBIARYMW-SNVBAGLBSA-N	00000000101000000101000000000010000000000000000000000000	31-01-022915
Cc1nnn2CC(CNC(=O)c3ccoc3)COCc12	EMOLS-id_44332553	276.291	MDQNSHNBIARYMW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-022916
Cc1noc(COC(=O)c2n[nH]c3c2CCCCC3)n1	PC-id_91652078,EMOLS-id_50358453,ZINC22_195578979,MCULE-5347938456	276.291	ROIUKCHBZIRVRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022917
Cc1noc(n1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100948611	276.291	YJAFKYZYDIFBCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022918
CCc1noc(n1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_101466568	276.291	WDRSKLREVCUYNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022919
CCO[C@@H]1CN(C(=O)c2cocn2)Cc2ccnn2C1	ZINC22_253384854	276.291	QJRQPPQTHRGDCJ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022920
CCO[C@H]1CN(C(=O)c2cocn2)Cc2ccnn2C1	ZINC22_253384855	276.291	QJRQPPQTHRGDCJ-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-022921
CNC1C(=O)N(CCc2c1ocn2)Cc1cnc(o1)C	SCHEMBL14172404,PC-id_23555062	276.291	CWCBHMOAVDEHOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022922
COc1nn(C)c2c1CCCN(C(=O)c1ccno1)C2	PC-id_97404580,ZINC22_96083741,EMOLS-id_46180483	276.291	CASAGLXSZLFPOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022923
CO[C@@H]1CN(C(=O)c2ocnc2C)Cc2ccnn2C1	ZINC22_248046814	276.291	QPXQNPQSYZBIHQ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022924
CO[C@H]1CN(C(=O)c2ocnc2C)Cc2ccnn2C1	ZINC22_248046829	276.291	QPXQNPQSYZBIHQ-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-022925
OCc1onc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319461623	276.291	YBRHIXVAOMWYLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022926
O=C(N1CCCc2c(C1)cco2)NCc1nonc1C	MCULE-6318611559,EMOLS-id_319835807	276.291	VIMVWPMTAWFMGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022927
O=C(N1CCCc2c(C1)cnn2C)COc1nocc1	MCULE-2564932137,EMOLS-id_320224756	276.291	YCIAXIPHFNOSNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022928
C1CCCn2c(C(C)n3ncc(N(=O)=O)c3)nnc2C1	TIMTEC223177,MCULE-7939137340,EMOLS-id_32216864,PC-id_71668837	276.294	IQSQOGBESYJNQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022929
C1CCCn2c(Cn3nc(N(=O)=O)cc3C)nnc2C1	PC-id_71833105,MCULE-7647398231,EMOLS-id_32216878,TIMTEC322056,ZINC22_72334106	276.294	MWWXCNDZUWESAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022930
C1Cn2c(CCC1)nnc2Cn1cc(N(=O)=O)c(C)n1	PC-id_71668832,EMOLS-id_32217484,ZINC22_72334159,MCULE-1961910088,TIMTEC156552	276.294	FUGGNVATCHQBRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022931
c1(C(=O)NCc2c(C)non2)nnc2CCCCCn12	EMOLS-id_177433967,ZINC22_584894088,MCULE-5154598134	276.294	QWHZIZLNTZDMAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022932
Cc1cc([nH]n1)C(=O)N1CCc2nn(C)c(=O)n2CC1	PC-id_110197879,EMOLS-id_96925635,MCULE-8687287009	276.294	KLYTYPXIULMXFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022933
Cc1nc(cn1Cc1nnc2CCCCCn12)[N+](=O)[O-]	MCULE-1462801789,PC-id_71833101,TIMTEC109462,EMOLS-id_32216946,ZINC22_72334130	276.294	CTUDJFRSSBLGGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022934
CCc1onc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_278364113	276.294	MDYURQGLLPVPKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022935
C[C@@H](c1nnc2n1CCCCC2)n1cc([N+](=O)[O-])cn1	ZINC22_72334101,PC-id_95796913	276.294	IQSQOGBESYJNQB-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-022936
C[C@H](c1nnc2n1CCCCC2)n1cc([N+](=O)[O-])cn1	ZINC22_72334102,PC-id_95796914	276.294	IQSQOGBESYJNQB-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022937
Cn1cc2c(n1)CC[C@@H](C(=O)N2C)NC(=O)C(=N)N=C	SCHEMBL20282724,PC-id_135136260	276.294	SVHVWHBALLQZEQ-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022938
Cn1ccnc1C(=O)N1CCc2nn(C)c(=O)n2CC1	PC-id_110197882,MCULE-7178176787,EMOLS-id_96925734	276.294	KHQFWZGDAFMHTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022939
Cn1ccnc1C(=O)NC1CCc2n[nH]c(=O)n2CC1	MCULE-6109147672,EMOLS-id_97099917	276.294	UBZSSLPQNOLUKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022940
COCc1nnn2c1CN(CCC2)C(=O)c1cnc[nH]1	PC-id_97410128	276.294	PHDCALFTBFNXOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022941
Nc1[nH]c(=O)c2c(c(=O)n1)ncn2CCN1CCCC1	PC-id_102232695	276.294	OKTQBCUKQNFNTI-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-022942
O=C(C1CCn2c(CC1)nnn2)NCc1cnoc1C	EMOLS-id_319298562	276.294	YBWPNZVSXRDPKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022943
O=C(c1noc2c1CCCCC2)NCCn1ncnn1	EMOLS-id_101039089	276.294	QPVMOYWRRPZGTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022944
OCC(=O)N1CCCn2nnc(Cn3cccn3)c2C1	ZINC22_96259621,EMOLS-id_44370790,PC-id_97519703	276.294	IFXKZRBXCDZCHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022945
c1(C(=O)NCc2n[nH]c(N)n2)nnc2CCCCCn12	ZINC22_534657574,MCULE-7614399701,PC-id_122568297,EMOLS-id_177470029	276.298	YMFDQFJHWUKPLI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022946
Cn1nnc(n1)NC(=O)N1CCCc2c(C1)cnn2C	MCULE-1769317284,EMOLS-id_320137057	276.298	SMMPIKOXFFMYFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022947
CNC1CCCCc2c1cn(c2)COCC(F)(F)F	PC-id_106705511	276.298	NSALMJJVIHEVPS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022948
FC(F)(F)COCCn1cc2C(N)CCCCc2c1	PC-id_83208955	276.298	PBXZDOFPYZGTNU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022949
FC(F)(F)OCCn1cc2C(NC)CCCCc2c1	PC-id_83209094	276.298	MCWIEKMXPXBQPX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022950
O=C(NC(c1n2CCCCCc2nn1)C)c1n[nH]nn1	PC-id_80373641	276.298	LWFKELRPQOUEOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022951
CCOC(=O)C1Cc2c(nc(s2)N)C(F)(F)CC1	MCULE-9818290228,EMOLS-id_315251088	276.303	VZZKPEXBNXLDIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022952
CCOC(=O)[C@H]1CCC(F)(F)c2nc(N)sc2C1	ZINC22_1536220169	276.303	VZZKPEXBNXLDIW-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-022953
CCOC(=O)[C@@H]1CCC(F)(F)c2nc(N)sc2C1	ZINC22_1536220177	276.303	VZZKPEXBNXLDIW-ZCFIWIBFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022954
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C1Cn2c(=Nc3ccccn3)sc(=O)n2CCC1=O	PC-id_88155802,SCHEMBL7530085	276.314	OXGSWJWHCIMKPI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-022956
O=C(c1cc2c(s1)CCCCC2)CCC(F)(F)F	PC-id_114976563	276.318	QKVWVEMPDGVAGK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022957
Fc1cc(Cn2cc3C(N)CCCCc3c2)ccc1F	PC-id_83208693	276.324	ZILBOXQRYMORPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022958
Fc1cc(F)cc(c1)Cn1cc2c(c1)CCCCC2N	PC-id_105405197	276.324	LAXOMNAVIYMIJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022959
Fc1c(Cn2cc3C(N)CCCCc3c2)cccc1F	PC-id_83208212	276.324	ICWSOYUIGAZLDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022960
Fc1c(Cn2cc3C(N)CCCCc3c2)ccc(F)c1	PC-id_83208027	276.324	ZLWASJJTHMSSKD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022961
Fc1c(Cn2cc3C(N)CCCCc3c2)cc(F)cc1	PC-id_83208048	276.324	VMTLIVNBXQLHHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022962
NC1CCCCc2c1cn(c2)Cc1c(F)cccc1F	PC-id_114930935	276.324	UZRVUXFAWJXXGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-022963
CC1=CCCC(CC(=O)c2c(C1)occ2C)C(=O)OC	PC-id_90473525	276.328	RJIWBMJRJHCDMZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-022964
o1c2c(C(=O)CC(CC/C=C(C2)/C)C(=O)OC)c(c1)C	PC-id_5374461	276.328	RJIWBMJRJHCDMZ-YHYXMXQVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-022965
CC(=O)Oc1ccc(cc1)Cc1cc2-c(c1)ccccc2	PC-id_141130848	276.329	DDEXTMCOMQSCNP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022966
O(C(=O)c1c2-c(c(Cc3ccccc3)c1)ccccc2)C	PC-id_11011257	276.329	AJHCVDQPLFBRIJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022967
OC(=O)c1c2-c(c(C(c3ccccc3)C)c1)ccccc2	PC-id_56941716	276.329	WJDSAGMFBJJWME-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022968
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OC(=O)c1c2-c(c([C@H](c3ccccc3)C)c1)ccccc2	PC-id_56941718	276.329	WJDSAGMFBJJWME-ZDUSSCGKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022970
CC1CN(CCC1=O)C(=O)c1noc2c1CCCCC2	EMOLS-id_102347704	276.331	KFGWZBFEVIBJFR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022971
C[C@@]1(C(=O)N2CCCc3occc3C2)CCC(=O)NC1	ZINC22_289803696	276.331	RRTFNQUDKBJNKG-OAHLLOKOSA-N	00000000100010000100000000000010000000000000000000000000	31-01-022972
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CCOC(=O)c1c[nH]c2c1C(=O)C(=CN(C)C)CCC2	SCHEMBL6302715,PC-id_20605650	276.331	FIQUGFFMSFBIHK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-022976
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OC1c2c(CCCC1)cn(c2)Cc1noc(c1)COC	PC-id_83207948	276.331	ZGQFNCDTKQQXAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-022979
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O(c1c2-c(c(/N=N/c3ccc(cc3)C)c1)ccccc2)C	PC-id_10660089	276.332	CIAAQZOLTZVELI-FMQUCBEESA-N	00000010100000110110000000000010000000000000000000000000	31-01-022986
O=C(c1c2-c(nc1NCC)ccccc2)c1ccccc1	PC-id_10778842	276.332	JGWVJMLTVGAARL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022987
O=C(N(c1nc2-c(c1)ccccc2)CC)c1ccccc1	PC-id_10636189	276.332	UPIMBOVWPDIWMN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-022988
c12CN(CCCn1nc(C#N)c2)CCC1COCCO1	MCULE-6316029527,EMOLS-id_317878750,PC-id_138807202	276.334	IVWVRDZISRVMBF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022989
c1(C(=O)NCC2CC2)cn2c(CCN(C(=O)C)CC2)n1	MCULE-5052840428,ZINC22_1875242836,EMOLS-id_331150595	276.334	DVVFAMAJTYNHQH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022990
c1(C(=O)NC)cn2c(CCN(C(=O)C3CCC3)CC2)n1	EMOLS-id_331121703,ZINC22_1875246712,MCULE-5703253327	276.334	KPJNMGMRPWHTMX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-022991
Cc1ccc(CNCC2COCc3c(C)nnn3C2)o1	EMOLS-id_46150909	276.334	AHMBGTXDXFAAPG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-022992
Cc1ccc(CNC[C@H]2COCc3c(C)nnn3C2)o1	PC-id_97383746,ZINC22_96061114	276.334	AHMBGTXDXFAAPG-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-022993
Cc1ccc(CNC[C@@H]2COCc3c(C)nnn3C2)o1	ZINC22_96061115,PC-id_97383747	276.334	AHMBGTXDXFAAPG-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-022994
CC1(C)CNC(=O)c2cn(CC(=O)NC3CC3)nc2C1	ZINC22_634559463	276.334	SNSLGQMBCOIDLN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-022995
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@]1(C)CCC(=O)N1	EMOLS-id_319090384	276.334	FWVFKAXVGXYYOV-RJSPSEDBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022996
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCN(C1=O)C	EMOLS-id_319428373	276.334	ZCYYKTUMAOHHPU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022997
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCNC(=O)C1	EMOLS-id_318954610	276.334	FSRUKWBIUMJWBB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-022998
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(C)CNC(=O)C1	EMOLS-id_319720454	276.334	FKGNKRNTLXRCKR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-022999
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CC(=O)N(C1)C	EMOLS-id_319070088	276.334	JBQRCDINOXSYGC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023000
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CN(C1)C(=O)C	EMOLS-id_319351188	276.334	ZZIJIUHRLIWQEN-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-023001
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1CCNC1=O	MCULE-9562467093,EMOLS-id_320113877	276.334	QRUQGQKJZIYREQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023002
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(=O)NC1CC1	EMOLS-id_319280743	276.334	UCFWXYMDALUCOA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-023003
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1CCC(=O)N1C	MCULE-4128797251,EMOLS-id_319948020	276.334	HLQFGUORRXJQDS-ACGXKRRESA-N	00000010100000000101000000000010000000000000000000000000	31-01-023004
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CN1CCCC1=O	MCULE-9581416450,EMOLS-id_320085558	276.334	ILICTWUKIIOSNB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023005
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CNC(=O)C1CC1	EMOLS-id_319523228	276.334	IQXUXNIKAJQZEF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-023006
CC1C(=O)N(C(=O)C1C)Cc1nnc2n1CCCCC2	EMOLS-id_111778372	276.334	MGOAXOTYANWYAS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023007
Cc1noc(c1)CN1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_100225366	276.334	VZGWOIKRCBMCQJ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023008
Cc1noc(c1)CN1CCCn2c(cc(n2)C(C)O)C1	PC-id_91791656	276.334	VZGWOIKRCBMCQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023009
Cc1noc(C)c1CN1Cc2ccnn2CCC1CO	EMOLS-id_313821472	276.334	BECPWETWKAZMOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023010
Cc1noc(C)c1CN1Cc2ccnn2CC[C@@H]1CO	ZINC22_585096720	276.334	BECPWETWKAZMOI-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023011
Cc1noc(C)c1CN1Cc2ccnn2CC[C@H]1CO	ZINC22_585096721	276.334	BECPWETWKAZMOI-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023012
CCCCCN1C(=O)NCC(=O)c2c1ncn2CC=C	SCHEMBL19677248	276.334	MNMAOALIPPXKJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023013
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COCc1nnc2n1CCN(Cc1ccco1)[C@@H](C)C2	ZINC22_585097094	276.334	FQQOGILJRPCNFV-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-023027
COCc1nnc2n1CCN(CC2)C(=O)C1CC=CC1	PC-id_97405389	276.334	NFGRZNAAZWBEAP-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-023028
COCc1onc(c1)CN1CCCc2c(C1)cnn2C	EMOLS-id_319209087	276.334	UQPDTTJOHIGDSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023029
COC[C@@H]1CCn2nccc2CN1Cc1cc(C)on1	ZINC22_585097059	276.334	HAIGWAWMHMWPIB-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023030
COC[C@H]1CCn2nccc2CN1Cc1cc(C)on1	ZINC22_585097060	276.334	HAIGWAWMHMWPIB-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023031
COC[C@H]1CN(Cc2cc(C)on2)Cc2cncn2C1	PC-id_97477293,ZINC22_96209166	276.334	IHJUDWAKHLVNBI-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023032
COC[C@@H]1CN(Cc2cc(C)on2)Cc2cncn2C1	ZINC22_96209165,PC-id_97477292	276.334	IHJUDWAKHLVNBI-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023033
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N#Cc1cc2n(n1)CCCN(CC[C@@H]1COCCO1)C2	ZINC22_1775979170	276.334	IVWVRDZISRVMBF-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023035
O=C1CC(C(=O)N1Cc1nnc2n1CCCCC2)(C)C	EMOLS-id_111778285	276.334	XJZPRRFCXBIYIV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023036
O=C([C@]12CNC[C@H]1CCO2)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319802255	276.334	KQHQKDLMKYKLPN-RISCZKNCSA-N	00000010100000000101000000000110000000000000000000000000	31-01-023037
Cc1cc(CN2CCc3nn(C)c(=O)n3CC2)n(C)n1	PC-id_110197895,MCULE-6985267976,EMOLS-id_96925941	276.337	UGYCSLVJBXABGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023038
CC1=CCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102169036	276.337	JBANYOKNCHQEON-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-023039
CC1=CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166918	276.337	OILHRMZSMZYAAB-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-023040
n1(cc2C(NCCC)CCCCc2c1)CCCCCC	PC-id_83213503	276.46	WKCYKJOVSDYXIW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023422
Cc1c(c(n[nH]1)C)CN1CCc2nn(c(=O)n2CC1)C	MCULE-8837585209,PC-id_91922539,EMOLS-id_50590133	276.337	SJHOQXHXZMMVRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023041
Cc1nnn2c1COC[C@@H](CNCc1cnn(C)c1)C2	PC-id_97383744,ZINC22_96061112	276.337	RBTGJBSWKLXHOX-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023042
Cc1nnn2c1COC[C@H](CNCc1cnn(C)c1)C2	PC-id_97383745,ZINC22_96061113	276.337	RBTGJBSWKLXHOX-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023043
Cc1nnn2CC(CNCc3cnn(C)c3)COCc12	EMOLS-id_46150907	276.337	RBTGJBSWKLXHOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023044
C[C@H](c1nn2c(c1)CN(CCC2)CCn1cncn1)O	PC-id_99978701	276.337	NQIQKDLRNUAYKL-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023045
C[C@@H](c1nn2c(c1)CN(CCC2)CCn1cncn1)O	PC-id_99978703	276.337	NQIQKDLRNUAYKL-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-023046
CC(O)c1cc2CN(CCn3cncn3)CCCn2n1	MCULE-4513891817,EMOLS-id_55666529,PC-id_91782324	276.337	NQIQKDLRNUAYKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023047
CN(CC#CCNC(=O)C1CCn2c(CC1)nnn2)C	EMOLS-id_279035483	276.337	LTWSRRVVPVQPEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023048
COCc1nnc2CC(C)N(Cc3cn[nH]c3)CCn12	EMOLS-id_313826088	276.337	JZTSXGRZSOYQJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023049
COCc1nnc2n1CCN(Cc1cn[nH]c1)[C@@H](C)C2	ZINC22_585097429	276.337	JZTSXGRZSOYQJC-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-023050
COCc1nnc2n1CCN(Cc1cn[nH]c1)[C@H](C)C2	ZINC22_585097434	276.337	JZTSXGRZSOYQJC-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023051
COCc1nnn2c1CN(CCC2)Cc1nccn1C	PC-id_97410127	276.337	GBVPIQTVVLHCTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023052
O=C(NC1CC2C(C1)C2)NC1CCn2c(CC1)nnn2	EMOLS-id_102217003	276.337	ODQJLJKDMVMJJH-UHFFFAOYSA-N	00100010100010000101010000000010000000000000000000000000	31-01-023053
O=C(NC1CCC=CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102179772	276.337	FFRHQTZKEIIVOK-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-023054
s1c2CCCCCCc2cc1C(=Nc1n[nH]nn1)[O-]	PC-id_52466983	276.337	FMCYAMDLJFOLQV-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-023055
c1(C(C)n2nc(OC)c(N)c2)nnc2n1CCCCC2	PC-id_45602149,TIMTEC146550,MCULE-5054506968,EMOLS-id_27336100	276.338	FJCGDHXGWLEZIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023056
CC(C)c1noc(NCc2nnc3n2CCCCC3)n1	PC-id_71913839,EMOLS-id_45680953,MCULE-7595365853,ZINC22_89893684	276.338	AELSVNKXURQVGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023057
CC(C)n1cc(CN2CCc3n[nH]c(=O)n3CC2)cn1	PC-id_110197892,CHEMBL4555078	276.338	QCLYSIJFOGYZND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023058
CNCc1nnc(NCc2n[nH]c3c2CCCCC3)o1	ZINC22_1772709478,EMOLS-id_317485978,PC-id_137340721,MCULE-9676052460	276.338	PXJQHBNLNLZZPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023059
COc1nn([C@@H](C)c2nnc3n2CCCCC3)cc1N	CoCoCo_6788373,PC-id_51698690,ZINC22_35655664	276.338	FJCGDHXGWLEZIT-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-023060
COc1nn([C@H](C)c2nnc3n2CCCCC3)cc1N	ZINC22_35655665,CoCoCo_6788372,PC-id_51698691	276.338	FJCGDHXGWLEZIT-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023061
N#CC(CNC(=O)N1CCCn2c(C1)cc(n2)N)(C)C	EMOLS-id_318998406	276.338	SUVLJUOQTVEFFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023062
O=C(N1CC2CC1CC2)NC1CCn2c(CC1)nnn2	EMOLS-id_319467885	276.338	IMAYQUBZRNGNEF-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-023063
n12nnnc1C(CCCC2)CCCCCc1n[nH]nn1	PC-id_53971075	276.341	JRQPHVAFPDNXCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023064
CC(c1sc(c2c1OCC(CO2)(F)F)C(C)C)C	PC-id_145767323	276.343	MQRRKVKTYZPFCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023065
c1(cc2c(CCCCC2)s1)C(=O)Nc1cc(on1)C	TIMTEC578572,ZINC22_13744275,EMOLS-id_14095136,PC-id_17217302,MCULE-2285133497,CoCoCo_1074384	276.354	YRCQBAOFBUXZGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023066
c1(cc2c(CCCCCC2)s1)C(=O)Nc1ccon1	PC-id_2971043,CHEMBL1407088,EMOLS-id_2497245,TIMTEC367184,BindingDB-id_143589,CoCoCo_542321,ChEMBL-DNDi_CHEMBL1407088,ZINC22_4195926,MCULE-8478957460,BindingDB_PC-id_2971043	276.354	OVJKSYILENMGJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023067
c1(sc2c(CCCCC2)n1)NC(=O)c1ccoc1C	MCULE-9962998606,SPECS-id_AN-153/J102777,CoCoCo_1093161,PC-id_17233965,ZINC22_12372530,EMOLS-id_13191534	276.354	FLMUOVZBYPRIKZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023068
Cc1ccc(o1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110529243,PC-id_46699266	276.354	RCCXDFYZFUEHPH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023069
Cc1ccoc1C(=O)Nc1nc2c(s1)CCCCC2	ZINC22_22312256,MCULE-9371733930,EMOLS-id_30733415,PC-id_30208410	276.354	UNHIWWCGWFHLDT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023070
Cc1coc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319074938	276.354	HGJIENWAIBKFCH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023071
Cc1occ(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319364102	276.354	BIRQACQFPDTBHE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023072
Cc1occ(c1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111825270	276.354	WBLKXBQNVMOYRB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023073
Cc1sc2c(n1)CCCCN2C(=O)c1occc1C	EMOLS-id_318901438	276.354	IJZKDJMYKVFOII-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023074
Cn1cc(OC(=O)c2cc3c(s2)CCCCC3)cn1	PC-id_99780631,EMOLS-id_50564814,ZINC22_170591386,MCULE-7154323752	276.354	KRQXUMZSPVKMRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023075
CNC1C(=O)N(CCc2c1occ2)Cc1ccsc1	SCHEMBL14172438,PC-id_23554524	276.354	SERVQXXATLTEBC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-023076
CNC1C(=O)N(CCc2c1scc2)Cc1ccoc1	SCHEMBL14172213,PC-id_23554808	276.354	RHDAPMUUEOWETO-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-023077
N=C/C(=C/1N(C)CCC(=O)c2c1cc(s2)C(=O)C)/C	SCHEMBL20926082,PC-id_138568244	276.354	VOBJBLSVSDKRJN-FPJQKESLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023078
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O=C(c1ccco1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644754	276.354	RISMJODWNQYSDB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023080
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O=C(c1noc2c1CCCCC2)Nc1cscc1C	EMOLS-id_111879829	276.354	PULSJWHHVWRRRZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-023082
BrC[C@@H](c1ccc(c2-c(c1)c(C)cc2)C)C	UNPD71691	277.199	FOUNKNBLWLIMAS-LBPRGKRZSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023470
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c12C(=O)NCCCc1[nH]c(CCc1scnc1C)n2	EMOLS-id_46608008,ZINC22_95358675,PC-id_72854740,MCULE-7415189151	276.357	FYVGEMFUJFIOSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023087
c1(C(=O)Nc2scc(C)n2)c2CCCCCc2[nH]n1	EMOLS-id_49246964,MCULE-7203189629,ZINC22_96230868,EMOLS-id_50403806,PC-id_75489421,STOCK7S-46240	276.357	MUAFTNKYUOBOHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023088
c1(sc(nc1C)C)C(=O)N1CCCn2cncc2C1	PC-id_56890641,MCULE-7223779906,ZINC22_72141968,EMOLS-id_43092183	276.357	BVUHQBDVLJCMOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023089
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(s1)C	EMOLS-id_319487231	276.357	HDBALRCHQQJAFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023090
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1csnc1C	EMOLS-id_319705112	276.357	GMZHMKDYEFKJIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023091
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nsc(c1)C	MCULE-9972397119,EMOLS-id_319835249	276.357	HHDHREOGLHHDNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023092
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1scnc1C	EMOLS-id_318888394	276.357	SVEWKSCHVNYFFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023093
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cscn1	EMOLS-id_319025484	276.357	IFMLECMADXJRSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023094
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Cc1nc2c(s1)N(CCCC2)C(=O)c1cncn1C	EMOLS-id_319440284	276.357	YCOPMPIAEGCCPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023096
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CC1CCCC(C1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111825508	276.374	XFPCOXBAWSGAPU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023164
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NNC(c1cc2c(s1)CCCCC2)C1=CCCCC1	PC-id_113860115	276.44	UZENQRDYIRAATG-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-023415
C1CCCCCc2ccc(n2CCCCN)CCCC1	PC-id_134982885	276.46	DVNAVVFJAMXKAI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023416
CSC(c1cc(C)cc(c2-c1ccc2C)C)SC	PC-id_100994298	276.46	PYPNLHXMBHOUJL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023417
n1(cc2C(N)CCCCc2c1)CCCCCCCCC	PC-id_83208205	276.46	MIVMUWJVMCPCIO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023418
n1(cc2C(NC)CCCCc2c1)CCCCCCCC	PC-id_83209168	276.46	PZARAXDMOFTBEX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023419
n1(CCC(C)(C)C)cc2C(NCCC)CCCCc2c1	PC-id_83212508	276.46	QAPZQWXNADFZIV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023423
n1(CC(CCC)C)cc2C(NCCC)CCCCc2c1	PC-id_83212509	276.46	ZTOOISWZKYJLLP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023424
n1(CC(CC)CC)cc2C(NCCC)CCCCc2c1	PC-id_83213244	276.46	GUOQUZMSEVJMDB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023425
n1(CC(CCCC)CC)cc2C(NC)CCCCc2c1	PC-id_83208266	276.46	BUNHHJWTFWZWMZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023426
S(c1c2-c(ccc(C(C)(C)C)cc2)c(SC)c1)C	PC-id_24822571	276.46	OSENTVPZSLVNMC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023427
O=c1sc2c(s1)SSSSS2	PC-id_391275,NSC690229,CoCoCo_5756924	276.486	JLRCUCDYZVYOBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023428
Clc1c(c2-c(c1C(=O)OCC)ccccc2)C(=O)C	PC-id_10588533	276.715	IUOLBTIEUOPXMH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023429
C1CCn2c(c(nn2)C(=O)c2ccc(cc2)Cl)NC1	PC-id_135924052	276.722	CSYUYJUPCPRMEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023430
C#CC(c1ccc2-c1ccccc2)c1ccc(cc1)Cl	PC-id_101206950	276.76	HRQGGYVBRLLYMK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-023431
Clc1ccccc1OCC1CCCCc2c1nc[nH]2	PC-id_9921706,SCHEMBL6961211	276.761	ZJXBSGCEMLOKTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023432
Clc1ccc(Cn2[nH]c3c(CCCCC3)c2=O)cc1	PC-id_66022147	276.761	ZTNDTQDHBOYUDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023433
Clc1cc(Cn2[nH]c3c(CCCCC3)c2=O)ccc1	PC-id_66023372	276.761	NOVWYZVDXFLBNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023434
Clc1c(Cn2cc3C(O)CCCCc3c2)ccnc1	PC-id_83209064	276.761	LOWXLYPHYRCUMF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-023435
Clc1c(Cn2[nH]c3c(CCCCC3)c2=O)cccc1	PC-id_66021112	276.761	FSVHEQISISOTOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023436
CC1CN(Cc2ccncc2Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319327074	276.765	SKIXSXHOUCMHSS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-023437
CC1CN(Cc2nccc(c2)Cl)Cc2c(C1)[nH]nc2	MCULE-7912752588,EMOLS-id_319854261	276.765	LLWQVMKRGPLIPQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-023438
Clc1ccccc1NCc1nnc2n1CCCCC2	EMOLS-id_318208230,PC-id_7565981,MCULE-5677826595	276.765	VWRAOBPWPHZJKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023439
Clc1ccc(cc1)NCc1nnc2n1CCCCC2	PC-id_659545,SPECS-id_AT-225/JK18788,CoCoCo_411137,ZINC22_390646,EMOLS-id_708370,STOCK2S-31579,TOSLab_5362,TOSLab_2873,MCULE-8568144885	276.765	YQKRIMJFYVFGDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023440
Clc1cccc(CNc2nnc3n2CCCCC3)c1	PC-id_4752552,MCULE-2574042168,ZINC22_16769738	276.765	YLKWNBMBGDASDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023441
Clc1ccc(CNc2nnc3n2CCCCC3)cc1	ZINC22_1468085,PC-id_1538788,MCULE-5293980453	276.765	BRGDSKILOJGRLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023442
Clc1cccc(NCc2nc3n(n2)CCCCC3)c1	PC-id_16458757,ZINC22_28527783,CoCoCo_6601590,MCULE-3210094923	276.765	BFZLNKQGZWGEDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023443
Clc1cccc(NCc2nnc3CCCCCn23)c1	ZINC22_1432705,ChEMBL-DNDi_CHEMBL1379567,CoCoCo_1985162,EMOLS-id_2584149,CHEMBL1379567,MCULE-2694499811,TIMTEC114861,PC-id_1512170	276.765	CZVBAGFPAHGMNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023444
Clc1cccnc1NCc1cnc2n1CCCCC2	MCULE-1271019608,EMOLS-id_318565293	276.765	SQUCDAOVILIAIE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-023445
Clc1ccc(nc1)NCc1cnc2n1CCCCC2	MCULE-4090469520,EMOLS-id_318644438	276.765	DMWDALDMNIUKAH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-023446
Clc1cccnc1NCc1n[nH]c2c1CCCCC2	MCULE-4900604990,EMOLS-id_316239935,ZINC22_1506412476	276.765	YVWGNQTZYVWKHV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-023447
Clc1ccc(NCc2nc3n(n2)CCCCC3)cc1	CoCoCo_6600460,ZINC22_28526985,PC-id_35754468	276.765	LDLZSNDOKCZEEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023448
Clc1ccnc(c1)NCc1cnc2n1CCCCC2	EMOLS-id_318533931,MCULE-4558410961	276.765	QNLAAJVBJVAWFV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-023449
Clc1cncc(c1)NCc1cnc2n1CCCCC2	EMOLS-id_318712075,MCULE-9360818574	276.765	PQORWHBBXDJGKY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-023450
Clc1n(nc2c1CCCCC2)CCS(=O)(=O)C	PC-id_66015114	276.783	YOZPQWVKENBUJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023451
Clc1ccc(cc1)Nc1nc2c(s1)C=CCCC2	PC-id_122225933	276.784	IUOYXHITPYSPQR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-023452
ClC(c1sc2CCCCCc2c1)c1ccccc1	PC-id_63429142	276.824	UYJKLQALGDTSHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-023453
C1CCCC2=C(CC1)N=NN2I	PC-id_147101920	277.008	BKUYNYNZNNIHEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023454
CC1=CC=CC=C2C1=C(C=C2C(C)(C)C)S(=O)(=O)[O-]	PC-id_154481998	277.09	LKWXQRRAPUJKFA-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-023455
C1CN(CCC2=C1N=C(S2)N)CC3=CC=C(C=C3)F	PC-id_163935682	277.105	SNLDSSYNIVAHDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023456
CC1CCCCc2c1nnn2I	PC-id_134571173,SCHEMBL20221776	277.105	DPDSNOFHCBYLQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023457
CC(CO)C1CCc2c(C(CC1)(F)F)n(nn2)S	PC-id_163536498	277.106	DXKSOUYRZKNLLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023458
CN1C=Cc2c(C=[I]1)ccs2	PC-id_143301288	277.125	CCEFROAGXWOAFO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-023459
COC(=O)C1=C(c2cccn2CCCCCCC1=O)O	PC-id_163840565	277.131	KVUOENWJWMKGBE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-023460
Brc1sc(c2OCCCOc12)C(=O)C	PC-id_82378763	277.135	TUWQEUKWGZUFGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023461
C1CCN(C2=C(C1)NC=C2)C(=O)[C@@H]3CCCN3C(=O)O	PC-id_153818121	277.143	REMXCPXDENPKSZ-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-023462
OC(=O)c1c(nn2CCCCCCc12)C(Cl)Cl	EMOLS-id_337768486	277.147	GOQQOYOGQDSVSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023463
BrCC(=O)c1c2-c(c(c1)CC)ccccc2	PC-id_11780811	277.156	OLSRYTJFUBERRQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023464
BrC(=O)c1c2-c(c(cc(cc2C)C)C)cc1	PC-id_86170003	277.156	KUTHKWHOPXKJLD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023465
OC(=O)c1cc2CN(CCCc2o1)C(=O)C(F)(F)F	EMOLS-id_331224610	277.197	WWRNLVCXBHWLRS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023466
Brc1c2-c(cc(C(C)C)ccc2C)c(c1)C	PC-id_14293218,UNPD171485	277.199	VJIVSYPFUBBXEU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023467
BrC(c1cc2-c(c(cc1)C)ccc2C)(C)C	PC-id_14844228	277.199	MAVUKJXDQJSXCD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023468
BrCC(c1cc2-c(c(cc1)C)ccc2C)C	PC-id_185007	277.199	FOUNKNBLWLIMAS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023469
CC(c1ccc(c2-c(c1)c(C)c(c2)Br)C)C	PC-id_102327646	277.199	LXUSSEVVWRFWEU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023471
OC(=O)c1cc2CN(CCCn2n1)C(=O)C(F)(F)F	EMOLS-id_331224104	277.2	CIHZEHZYTKOJRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023472
OC(=O)C1CN(Cc2ccnn2C1)C(=O)C(F)(F)F	EMOLS-id_331225382	277.2	JGKHKALYSSCGHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023473
OC(=O)C1CN(Cc2nccn2C1)C(=O)C(F)(F)F	EMOLS-id_331224870	277.2	NGJGRCQKFPMLQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023474
CCOC(=O)C1=C2CCCCCCCCCCC2=CN1	PC-id_155195606	277.204	LYSXQEGJQQBSQC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023475
CCCC(CCC)C1C2=CC=C(N2CCCN1)C(=O)N	PC-id_153675054	277.215	HZHKTMJSCYIVBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023476
Brc1sc2c(c1)CCCCCCS2	PC-id_138979475	277.244	IYZBKRRRXXIMMP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023477
O=C(CN1CCCn2c(C1)cnn2)NCC(F)(F)F	EMOLS-id_320007103,MCULE-2422772923	277.246	CUNRUIRSLZXWPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023478
CC[C@]1(CCCCC2=C(C1)N=NN2C(C)(C)C)C(C)C	PC-id_147851887	277.252	HUZBUBZWWPIXLF-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023479
O=C(C1=C(n2c(=NN=N1)c(=C=[N-])nc2)C)c1ccccc1	PC-id_21782894	277.261	QPMZTPLEWLTWGY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-023480
NN/N=C(/C1(C)C=CC=c2c(=C1)ccn2C(=O)P)N	PC-id_142938352	277.262	GURDAYAQIZISBN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-023481
O=c1n2CCCCCc2nn1Cc1c(occ1)C(=O)O	PC-id_43426897	277.276	WRDOYESQBQDALU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023482
O=c1n2CCCCCc2nn1Cc1occc1C(=O)O	PC-id_43426896	277.276	FAAUXMVOLWBAJE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023483
O=c1n2CCCCCc2nn1Cc1oc(cc1)C(=O)O	PC-id_43426898	277.276	BTTUZEBJCBOGBE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023484
O=c1n2CCCCCc2nn1Cc1occ(c1)C(=O)O	PC-id_62268522	277.276	HHUAUDKTJPOBDY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023485
O=C(N1CCCc2c(C1)cco2)Cn1nc(oc1=O)C	EMOLS-id_319291379	277.276	QFRZSRKONBJUIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023486
c1ccc2-c(c(c(=O)[nH]2)N=Cc2ccccc2N=O)cc1	PC-id_89014024	277.277	DDGACOMDJKDAIU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-023487
O=C(N(c1c(c2-c(c1C#N)ccccc2)C#N)C(=O)C)C	PC-id_85628698	277.277	WOKWESCKUQVVQZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023488
O=Nc1ccccc1/C=N/c1c(=O)[nH]c2-c1ccccc2	SCHEMBL13078191	277.277	DDGACOMDJKDAIU-LICLKQGHSA-N	00000010100000110110000000000010000000000000000000000000	31-01-023489
[O-][N+](=O)c1ccc(/N=N/c2c3-c(cc2)ccccc3)cc1	PC-id_85777167	277.277	IZAGYWSFWXUYOR-ISLYRVAYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-023490
C1CCc2c(CC1)onc2C(=O)NCc1n[nH]c(=O)[nH]1	PC-id_137223542,EMOLS-id_100996037	277.279	LYCYRBGZLOVKSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023491
c1(c(C)non1)C(=O)N1CCCn2nc(CO)cc2C1	PC-id_91787715,MCULE-9877683146,EMOLS-id_55682095	277.279	HGXGRQXLNJFICB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023492
O=Cc1cc(c2-c1c(C)cc(cc2C)C)OS(=O)[O-]	PC-id_139330162	277.316	PNDOCFKIDRHNCL-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-023515
C1CN(Cc2cc(nn2C1)CO)C(=O)c1c[nH]c(=O)[nH]1	PC-id_91772797	277.279	FQOHBLUPUXCYHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023493
C1CN(CCn2c1n[nH]c2=O)C(=O)NCc1ccco1	PC-id_91910603,EMOLS-id_50585843,MCULE-1187298354	277.279	LLNCYMIBYHMJLV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023494
O=C1NC(=O)N[C@@H](C1)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_316156242	277.279	RTLJBKXAPGMONB-VIFPVBQESA-N	00000000100010000101000000000010000000000000000000000000	31-01-023495
FC(F)(F)COCCn1cc2C(O)CCCCc2c1	PC-id_83208555	277.283	LRFNFYHTTMWMLT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023496
c1(C(F)(F)F)nn(c2OCCCC(N)c12)C(C)(C)C	EMOLS-id_320452113,MCULE-6704120755	277.286	OZCNRLLSESLKCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023497
CC1CN(CCOCC(F)(F)F)Cc2c(C1)[nH]nc2	EMOLS-id_320041437,MCULE-6748726674	277.286	LFTHTRXYYYTUCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023498
S(c1n2CCCCCc2nn1)C(F)(F)C(=O)NN	PC-id_55213501	277.294	XPLKSUKNYMNIAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023499
c1ccc2-c(c(cc2C(=O)O)CCN=S(=O)=O)cc1	PC-id_88510979	277.296	DZHZMCKCNFGVNT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023500
Cn1c(=O)n2CCN(CCc2n1)Cc1c(cncc1)F	MCULE-7497209349,PC-id_91910632,EMOLS-id_50589955	277.297	OBIGCNCKWFMWKO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-023501
S(=O)(=O)(N(O)C)CC1n2c(noc2=O)CCCC1	PC-id_22901440	277.298	ZUUSPDQTMQDYSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023502
c12C(=O)NCCCc1nc(NC(=O)c1ccoc1)s2	ZINC22_211130573,MCULE-3235442391,EMOLS-id_50139245,PC-id_72720003	277.299	DMJCDLPKNHJDIP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023503
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccco1	PC-id_90625409	277.299	PKFJCOLYGQRMFK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023504
O=C1CCCCc2c1cn(c2)CCSC(F)(F)F	PC-id_116617009	277.306	RYNRTOVXFWZHAI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023505
Fc1cc(Cn2cc3C(O)CCCCc3c2)ccc1F	PC-id_83207766	277.309	SIGVUTRJVVWOCF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-023506
Fc1cc(F)cc(c1)Cn1cc2c(c1)CCCCC2O	PC-id_105405059	277.309	YDKIZROREJXDDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-023507
Fc1c(Cn2cc3C(O)CCCCc3c2)cccc1F	PC-id_83207684	277.309	CYWNXBMILNEDKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-023508
Fc1c(Cn2cc3C(O)CCCCc3c2)ccc(F)c1	PC-id_83208074	277.309	KUIMLCNTJVGBSG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-023509
Fc1c(Cn2cc3C(O)CCCCc3c2)cc(F)cc1	PC-id_83208650	277.309	RLVJJXZQQMKPMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-023510
OC1CCCCc2c1cn(c2)Cc1c(F)cccc1F	PC-id_114930876	277.309	LTFAAADNOJZCFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-023511
CC1CN(Cc2ccc(c(c2)F)F)Cc2c(C1)[nH]nc2	EMOLS-id_318804413	277.312	BQTRPTITQATCBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023512
CC1CN(Cc2cc(F)ccc2F)Cc2c(C1)[nH]nc2	EMOLS-id_319937049,MCULE-9556081294	277.312	QYMBDYSUVFIQGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023513
O=C1c2c([nH]c(c2CCC(=O)OCC)C=O)CCCC1	PC-id_46914015	277.316	RSTSJTDEBPNBGP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023514
O(c1ccc(C(=NO)c2c3-c(cc2)ccccc3)cc1)C	PC-id_85756684	277.317	MXDLQJHNUDQXDH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-023516
c12CN(CCCn1nc(CO)c2)Cc1ccc(CO)o1	PC-id_91787654,MCULE-1871052745,EMOLS-id_55681903	277.319	NZCYTNRWHJTCNN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-023517
C1CCc2c(CC1)[nH]nc2C(=O)OCC1CC(=O)NC1	MCULE-8278107655,EMOLS-id_50358531,PC-id_91652118	277.319	RPVKTUZOMMHUEQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023518
CC1C(=O)NCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_102746111	277.319	NYLYVPULVLFRMH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023519
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s1c2CCCCCc2cc1C(=O)NCc1n[nH]nn1	PC-id_61855144	277.345	ZCGXVUCKBBXMTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023619
s1c2CCCCCCc2cc1C(=O)Nc1n[nH]nn1	PC-id_52466984	277.345	FMCYAMDLJFOLQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023620
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NC(c1cc2c(s1)CCCCC2)CCC(F)(F)F	PC-id_104992935	277.349	ZRIIPDUOLFXNSB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023622
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S(c1n2CCCCCc2nn1)c1nc(NN)cnc1	PC-id_80930767	277.349	MKEUIRRIGDCKHH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-023626
Fc1cncc(c1)C(c1cc2c(s1)CCCCC2)O	PC-id_114981098	277.357	CDEGQDGAMMGTKM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-023627
Fc1cnccc1C(c1cc2c(s1)CCCCC2)O	PC-id_115833986	277.357	FOMILUXUYXYTCO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-023628
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[O-]S(=O)Oc1cc2-c(c1C)cc(ccc2C)C(C)C	PC-id_139333924	277.359	JAFZGUJQCAZHCE-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-023630
[O-]S(=O)OCCc1ccc2-c1cccc(c2)C(C)C	PC-id_139330419	277.359	VNWZAEWHOKGPDF-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-023631
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S(=O)(=O)([O-])c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_24848281	277.359	VIZXMHCBZLGUET-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-023633
CC(c1c2-c(n(c1=O)Cc1ccccc1)ccccc2)C	SCHEMBL10430392,PC-id_88609841	277.36	NZTSDMYJVXIVFS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-023634
CC(C)n1c2-c(ccccc2)c(c1=O)Cc1ccccc1	SCHEMBL10430497,PC-id_88609886	277.36	CYJQENRPQVZDLS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-023635
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CC1(CCCO1)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-5391768053,EMOLS-id_82726951,PC-id_119068683	277.362	IDGPKGFTVSCGEL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023645
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(O)CCCCC1	MCULE-5762578063,EMOLS-id_320007303	277.362	YAQVBQZRHZUMCU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023651
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(C1CC1)(O)C	EMOLS-id_319559636	277.362	CJTOVVVKBSFTHU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-023655
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CCN1CCC(C1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101675894	277.362	LOUVOOLYYKNBBG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023668
CCN1CCN(CC1)C(=O)c1noc2CCCCCc12	PC-id_53003767,EMOLS-id_32809240,MCULE-7365875158	277.362	GMEQAQHMSURJPV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023669
CCOC1CC(C1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318815284	277.362	XILKEIRDTVYOQB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-023670
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CC1CN(Cc2c(C1)[nH]nc2)C(c1nnc(s1)C)C	EMOLS-id_319645490	277.388	RQHIPUHVRSTHEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023813
Cc1nn(Cc2nnc3CCSCCn23)c(C)c1C	EMOLS-id_317869510,MCULE-7838704160,ZINC22_1772816705	277.388	ZGJRLUGHUNMVLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023814
Cc1sc(nc1C)NCc1nnc2n1CCCCC2	EMOLS-id_318555816,MCULE-8433635305	277.388	ARQPDFPXHGYJGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023815
CCc1ccc(s1)CNC1CCn2c(CC1)nnn2	MCULE-2498001990,EMOLS-id_318316474	277.388	YAYSSZAQOWZHFA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-023816
CC(c1ccsn1)NCc1nnc2n1CCCCC2	EMOLS-id_318848618	277.388	MGFPOZOFBGBVQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023817
CC(c1nccs1)NCc1nnc2n1CCCCC2	EMOLS-id_318281657,MCULE-9734107792	277.388	IFYOYAJKWFKXCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023818
CC(c1ncsc1)NCc1nnc2n1CCCCC2	EMOLS-id_318028239,MCULE-4419511220	277.388	PYUIKUNBFZRPIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023819
Cn1nnc(n1)CC(c1cc2c(s1)CCCCC2)N	PC-id_107065190	277.388	ZUVGQNUKVOPMQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023820
NNC(c1cnnn1C)c1cc2c(s1)CCCCC2	PC-id_113704863	277.388	XWECDQPLWWHVRR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023821
s1cc(nc1)CNC(c1n2CCCCCc2nn1)C	PC-id_60730932	277.388	QZYXCYDGRNXMQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023822
s1cc(nc1N)CCCc1n2CCCCCc2nn1	PC-id_80655974	277.388	WNZMJNZDOSCSJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023823
s1c(CNC(c2n3CCCCCc3nn2)C)cnc1	PC-id_62759265	277.388	GEQDPECGFNOOTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023824
s1c(ncc1)CNC(c1n2CCCCCc2nn1)C	PC-id_63001124	277.388	NOBFLSYCWBAKND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023825
S(CC(NC1CC1)C#N)c1n2CCCCCc2nn1	PC-id_61920300	277.388	IGAWTNHTZVTJSZ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-023826
S(CC(N)(C1CC1)C#N)c1n2CCCCCc2nn1	PC-id_63905537	277.388	WHUWMBPIMYQEKR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-023827
CCCCc1cn2c(c1)C(CCCC2)C(=O)OC(C)C	PC-id_20484006,SCHEMBL11195349	277.402	HYHLKVGPHFNATD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023828
CCOC(=O)C1CCCCCCCCCc2c1[nH]cc2	SCHEMBL3933083,PC-id_11185010	277.402	BDBRNPFSWDYSLV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023829
COCc1[nH]c(c2c1CCCCCCCCCC2)C=O	PC-id_102351736	277.402	JBDRIBLSXWHYQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023830
[nH]1c(Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)ccc1	PC-id_86074363	277.403	YAVLXHPUFHTNPC-UHFFFAOYSA-N	00000010110000000110000000000010000000000000000000000000	31-01-023831
c1(ccc2CN(CCCn12)C(C)C)C(=O)N(CC)CC	MCULE-6162838766,EMOLS-id_317416287	277.405	HQZFYIKDDSVXED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023832
c1(CN(C)CC2CCOCC2)c2CCCCCc2[nH]n1	CoCoCo_1531535,CoCoCo_1531536,ZINC22_20149596,CoCoCo_1531537,PC-id_28685549,CoCoCo_1531538,EMOLS-id_232771464,MCULE-8548690409	277.405	SLUXVOYGKINPBV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023833
CC1CCC(CC1)(O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318890707	277.405	GDXHRAHTBRMEFB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023834
CC1CN(CCOCC2CCCC2)Cc2c(C1)[nH]nc2	EMOLS-id_319542805	277.405	SVZGBBMSHGBQTL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023835
CC/C=CCCCN1CCCn2nc(cc2C1)C(C)O	EMOLS-id_50547437	277.405	BDCOJKPIGAGNJA-PLNGDYQASA-N	00000000100000000101000000000010000000000000000000000000	31-01-023836
CC/C=CCCCN1CCCn2nc([C@@H](C)O)cc2C1	PC-id_100067492,ZINC22_221374902	277.405	BDCOJKPIGAGNJA-ZRUQZJFASA-N	00000000100000000101000000000010000000000000000000000000	31-01-023837
CC/C=CCCCN1CCCn2nc([C@H](C)O)cc2C1	PC-id_100067493,ZINC22_221374960	277.405	BDCOJKPIGAGNJA-WSNITJDQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023838
CCCC(CCC)NC(=O)c1ccc2n1CCCNC2	PC-id_91233106	277.405	QKJHDFMDYQXDIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023839
CC(CC(CC(=O)N1CC(C)Cc2c(C1)cn[nH]2)C)C	EMOLS-id_319279238	277.405	QKORUJCSFICMFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023840
CCCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C(C)C	EMOLS-id_320200657,MCULE-6570902038	277.405	DMRYDFYPYFEFKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023841
CCCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)CCC	MCULE-1025261058,EMOLS-id_319943754	277.405	CEJJQNCJRZWGLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023842
CC[C@@H](O)c1cc2n(n1)CCCN(CCC=C(C)C)C2	PC-id_100029782,ZINC22_218923888	277.405	IKTHTOYLDVPXKN-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023843
CC[C@H](O)c1cc2n(n1)CCCN(CCC=C(C)C)C2	ZINC22_218923956,PC-id_100029784	277.405	IKTHTOYLDVPXKN-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023844
CCC(O)c1cc2CN(CCC=C(C)C)CCCn2n1	EMOLS-id_55620398,MCULE-1708007465,PC-id_91766276	277.405	IKTHTOYLDVPXKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023845
CCO[C@@H]1CCC[C@H]1NCc1cnc2n1CCCCC2	PC-id_146145246,ZINC22_1875284233	277.405	RGZIRJJDFWYUMY-HUUCEWRRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023846
COC(C1CCCC1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319564801	277.405	HSESYVVKEBMWCA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023847
COCC1CN(CC2CCCCC2)Cc2ccnn2C1	EMOLS-id_44326827	277.405	SXKGFLMBAFVEDV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023848
COC[C@H]1CN(CC2CCCCC2)Cc2ccnn2C1	ZINC22_96188916,PC-id_97463341	277.405	SXKGFLMBAFVEDV-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023849
COC[C@@H]1CN(CC2CCCCC2)Cc2ccnn2C1	ZINC22_96188917,PC-id_97463342	277.405	SXKGFLMBAFVEDV-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023850
n1c(C(C)O)cc2CN(CCCn12)CCCC=CCC	MCULE-2903770765,PC-id_90653211	277.405	BDCOJKPIGAGNJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023851
O1C(Cn2cc3C(N)CCCCc3c2)CN(CC1)CC	PC-id_83209160	277.405	IFQUHOFGTIOGQU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023852
O1C(Cn2cc3C(NC)CCCCc3c2)CN(CC1)C	PC-id_83207780	277.405	DNQSITLBUXTYFD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023853
O1CCN(CCn2cc3C(NC)CCCCc3c2)CC1	PC-id_83208253	277.405	KZGIWIJUUVTZAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023854
OC1c2c(CCCC1)cn(CCN1CCN(CC1)C)c2	PC-id_83209075	277.405	OANOWJFKEHYAQE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023855
O=C1N(CCCCc2[nH]cc(c12)C)CCN(CC)CC	PC-id_49840465	277.405	JBAXOLNNWRFUQG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023856
O=C1N(CCCCCCCC)c2n(CCC1)cc(n2)C	PC-id_54519798	277.405	YOZBXXLDOUHEGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023857
O=C(c1cc2c(s1)CCCCC2)Cc1cncs1	PC-id_115796070	277.405	ZCIVKKBGCHNQMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023858
O=C(c1cc2c(s1)CCCCC2)Cc1nccs1	PC-id_113659580	277.405	ZGTXDIFFPHHUPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023859
OC(CC1CCCC1)CN1CC(C)Cc2c(C1)cn[nH]2	MCULE-5589449851,EMOLS-id_320012114	277.405	NZRVIKSMQUAFEP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023860
O=C(NC(CC)(C)C)Cn1cc2C(N)CCCCc2c1	PC-id_83208515	277.405	HGYCARXUNMUMFM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023861
O=C(NC(CC)CC)Cn1cc2C(N)CCCCc2c1	PC-id_83208609	277.405	DYDIJRQTFYZFGR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023862
O=C(NCCC(C)C)Cn1cc2C(N)CCCCc2c1	PC-id_83208691	277.405	JLCZILCBGMKFRH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023863
O=C(NC(C(C)C)C)Cn1cc2C(N)CCCCc2c1	PC-id_83208778	277.405	QRDKDEDWLUMILI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023864
O=C(NC(CCC)C)Cn1cc2C(N)CCCCc2c1	PC-id_83209156	277.405	IYSIJSJIUIULDB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023865
O=C(NCCCC)Cn1cc2C(NC)CCCCc2c1	PC-id_83207795	277.405	CLPZWONIISREQZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023866
O=C(N(C(C)C)C)Cn1cc2C(NC)CCCCc2c1	PC-id_83207880	277.405	DDTFUFGTVVDGEW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023867
O=C(N(CC)CC)Cn1cc2C(NC)CCCCc2c1	PC-id_83207958	277.405	PGNSRMAYSHLWED-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023868
O=C(NC(C)C)CCn1cc2C(NC)CCCCc2c1	PC-id_83208080	277.405	KCDWOEDHSGMPAE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023869
O=C(NCC(C)C)Cn1cc2C(NC)CCCCc2c1	PC-id_83208173	277.405	YIHIOPDBRAYLTA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023870
O=C(NC(CC)C)Cn1cc2C(NC)CCCCc2c1	PC-id_83208649	277.405	PAQFXBGFNGWWCF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023871
O=C(N(C)C)CCCn1cc2C(NC)CCCCc2c1	PC-id_83208906	277.405	HTNAOGWIBJYZFS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023872
O=C(NC(C)(C)C)Cn1cc2C(NC)CCCCc2c1	PC-id_83209083	277.405	KCSGRAYGIQRHNF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023873
O=C(NC)CCCn1cc2C(NCC)CCCCc2c1	PC-id_83212251	277.405	VXWRQQQZMFPLKH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023874
O=C(N(C)C)CCn1cc2C(NCC)CCCCc2c1	PC-id_83212669	277.405	DODGKDZVWDHADL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023875
O=C(NC(C)C)Cn1cc2C(NCC)CCCCc2c1	PC-id_83212837	277.405	RUBNZPSQODJDKH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023876
O=C(N(CC)C)Cn1cc2C(NCC)CCCCc2c1	PC-id_83213159	277.405	RWQZCMFQFQKQMW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023877
O=C(NCCC)Cn1cc2C(NCC)CCCCc2c1	PC-id_83213500	277.405	AZUBCRYYPSPLRU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023878
O=C(NCC)CCn1cc2C(NCC)CCCCc2c1	PC-id_83213501	277.405	OHNNTJMGJHRBKZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023879
O=C(N(C)C)Cn1cc2C(NCCC)CCCCc2c1	PC-id_83212253	277.405	UYPJCHNRLCMJTL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023880
O=C(NCC)Cn1cc2C(NCCC)CCCCc2c1	PC-id_83213421	277.405	HUDGRYIPWFFXGD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023881
O=C(NC)CCn1cc2C(NCCC)CCCCc2c1	PC-id_83213506	277.405	RENLFYMOOOLCGT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023882
O=C(N)C(Cn1cc2C(NCCC)CCCCc2c1)C	PC-id_83212840	277.405	BFNNSEDIJDJTHM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023883
C1CCCC(CC1)CCNC1CCn2c(CC1)nnn2	MCULE-3771364378,EMOLS-id_102000621	277.408	ZTMURQCQYHNUKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023884
CC1CC(C)(C)CCC1NC1CCn2c(CC1)nnn2	EMOLS-id_102000432	277.408	REQQTHIIALENHH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023885
CC1CC(CNC2CCn3c(CC2)nnn3)CC(C1)C	EMOLS-id_320246948,MCULE-7064020134	277.408	AUXWQGKPYDODNT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023886
CCC1CCCC(C1)CNC1CCn2c(CC1)nnn2	EMOLS-id_102028307	277.408	MZIMQRBSPWLLTP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023887
CC(C1CCC(CC1)NC1CCc2n(CC1)nnn2)C	EMOLS-id_102028178	277.408	RWMAFTOWTWUCHD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023888
CC(C1CCCC(C1)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102000603	277.408	ZRUFAFFGERFALL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023889
CC(c1nnc2n1CCCCC2)NC1CCNCCC1	PC-id_103981479	277.408	MHCIMXJIEAITKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023890
CC(c1nnc2n1CCCCC2)NCC1CCCCN1	PC-id_106633550	277.408	BRESYZZJYLPMLX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023891
CC(c1nnc2n1CC[N@@H+](CC2)Cc1cccs1)C	GD-id_ZINC11838945	277.408	REJMARPWYIGOAB-UHFFFAOYSA-O	00000000100100000101000000000010000000000000000000000000	31-01-023892
CCCC1CCC(CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102028136	277.408	QUSJHALJVSBAFF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023893
CCCC(C1CC1(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102179021	277.408	SLMUQXLMBQZWSJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-023894
CCCC(C1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102002616	277.408	PEUNEYCDNAXKTG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023895
CC([C@H]1CCCCN1)NCc1nnc2n1CCCCC2	EMOLS-id_102120229	277.408	PSQBXPJOMIQHBK-ZGTCLIOFSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023896
CC([C@@H]1CCCCN1)NCc1nnc2n1CCCCC2	EMOLS-id_102120232	277.408	PSQBXPJOMIQHBK-ABLWVSNPSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023897
CCCN1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_31970848,PC-id_51081598,MCULE-1997460877	277.408	PXCBKYCGZGXIRC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023898
CC(C)N(C)Cc1nnc2CCN(CC3CC3)CCn12	ZINC22_96058960,EMOLS-id_46148217,PC-id_97381616	277.408	HKNZOECKHOEOSN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-023899
C[C@H](c1nnc2n1CCCCC2)[NH2+]Cc1cccs1	GD-id_ZINC35255271	277.408	IADXQOFADCFRLM-LLVKDONJSA-O	00000000100100000101000000000010000000000000000000000000	31-01-023900
N1(C(CC(NC(c2n3CCCCCc3nn2)C)C1)C)C	PC-id_81297216	277.408	ATBYFYZPERNJEN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023901
N1(CCN(CC1)C)CCCc1n2CCCCCc2nn1	PC-id_52423762	277.408	BTHJTPCHLVQLHH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023902
N(C1C(CCC1)CN)C(c1n2CCCCCc2nn1)C	PC-id_65834721	277.408	ZRBGWIKVHPGXBL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-023903
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N(C1CCC(N)CC1)C(c1n2CCCCCc2nn1)C	PC-id_79731442	277.408	KZNQASJYSURRFK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023905
N(C1CCN(CC1)C)C(c1n2CCCCCc2nn1)C	PC-id_43746925	277.408	YHEWRLALLLTNIP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023906
N(C1CC(N)CCC1)C(c1n2CCCCCc2nn1)C	PC-id_79458478	277.408	AXDQQQZKISOZKU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023907
N(CC1CCCNC1)C(c1n2CCCCCc2nn1)C	PC-id_80554135	277.408	PEPKATUUYQTHFZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023908
N(CC1CCNCC1)C(c1n2CCCCCc2nn1)C	PC-id_79707836	277.408	JDOKWQHNSSQRTL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-023909
c1(cc2c(CCCCC2)s1)C(=O)N1CCC(CC1)C	MCULE-3882779054,EMOLS-id_16623145,CoCoCo_1070076,ZINC22_16602901,PC-id_25236381	277.425	FFSHZFBEFOGJPB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-023910
c1(cc2c(CCCCCC2)s1)C(=O)N1CCCCC1	ZINC22_16603211,CoCoCo_1070649,PC-id_25236082,EMOLS-id_16623182,TIMTEC171491,MCULE-6038567396	277.425	GLACDLTZZCRIIR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-023911
CC1CCC(C1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_114549905	277.425	YWZCCRORHGVQJP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-023912
CC1CCN(C1)C(=O)c1sc2c(c1)CCCCCC2	PC-id_86877317	277.425	MYFDVWWMRHITOO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-023913
CCC/C=C/1CCCCc2c1cc(s2)C(=N)OCC	SCHEMBL7974066	277.425	KXXKDIYPPINYQL-MAHQRJDRSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023914
CC(C)(C)C#Cc1cc2c(s1)C(CCCC2)CON	PC-id_89945133,SCHEMBL15442970	277.425	VNDGLGPQHDRDAU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023915
C/C=C/CCNC(=O)c1sc2c(c1)CCCCCC2	PC-id_116036732	277.425	TZWYIXSDGZRRRW-NSCUHMNNSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023916
CCNC(c1cc2c(s1)CCCCC2)C1=CCCO1	PC-id_102653263	277.425	DKDZGZNGAXIKKI-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-023917
CNC(c1cc2c(s1)CCCCC2)C1=CCCCO1	PC-id_102648819	277.425	TWCFVRIWXVZRQW-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-023918
CNC(c1cc2c(s1)CCCCC2)C1=COCCC1	PC-id_105033398	277.425	YRLYDEFVXSERRL-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-023919
CONC1CCCCc2c1sc(c2)C#CC(C)(C)C	SCHEMBL16390753,PC-id_117815286	277.425	XWKAUXOGBLKNPF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023920
O=C(NC1CCCC1)c1cc2c(s1)CCCCCC2	ZINC22_8076172,MCULE-7037188100,PC-id_9209010,CoCoCo_3365990,EMOLS-id_43417026	277.425	BWPJPNCIVWWQMI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-023921
s1c2c(CCCCC2)cc1C(=O)N1CCCCCC1	PC-id_60642945	277.425	NAIIOGCFNYKNAT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023922
s1c2c(CCCCC2)cc1C(=O)NC1CCCCC1	PC-id_27670766	277.425	SLGITXZOGSLFLV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-023923
s1c2CCCCC(=CCCC)c2cc1C(=N)OCC	PC-id_21712671	277.425	KXXKDIYPPINYQL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023924
s1c2c(CCCCC2)cc1/C(=N/C1CCCC1)/NN	PC-id_61361316	277.428	QOAUTYWKWVPRQT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-023925
C1CCCCCc2ccc(n2CCCCO)CCCC1	PC-id_134982776	277.445	WHDRNAJAWAKAIO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023926
CCC(C)(c1cc2c(o1)CCCCC(CC2)(C)C)NC	PC-id_91556916	277.445	DDSGZRKXNKOTOV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023927
OC1c2c(CCCC1)cn(CCCCCCCCC)c2	PC-id_83207874	277.445	RRABDGGECXJVSJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023928
C1CCc2c(CC1)cc(s2)CNCc1cccs1	PC-id_54888392,EMOLS-id_315193444	277.448	OZVVXYSGPWRSBA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-023929
CC1(CCCCc2c(C1)nnn2C(C)(C)C)C(C)(C)C	PC-id_134308833,SCHEMBL19928373	277.448	MMTARZZCSQKLLI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023930
Cc1sccc1C(c1cc2c(s1)CCCCC2)N	PC-id_102841512	277.448	ZFWUHMAEKDBJKN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-023931
Cc1scc(c1)C(c1cc2c(s1)CCCCC2)N	PC-id_104991626	277.448	HAAPTVSBHAJMME-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-023932
CC(CC1CCCc2c(CC1)nnn2C(C)(C)C)(C)C	SCHEMBL18811862	277.448	FWEWZZCSQMCGRE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023933
CC(CC1CCCc2c(CC1)n(nn2)C(C)(C)C)(C)C	SCHEMBL19704419	277.448	GECJGJKVGKLXSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023934
CC(CC1CCCCc2c(C1)nnn2C(C)(C)C)(C)C	PC-id_138630697,SCHEMBL20997386	277.448	YXAFNTFHBUXOIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023935
CC(CC1CCCCc2c(C1)n(nn2)C(C)(C)C)(C)C	SCHEMBL18594652	277.448	PIOYVLPDWHBTQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023936
CC(CC1CCCCCc2c1n(nn2)C(C)(C)C)(C)C	SCHEMBL18594678	277.448	GSCSPVRPJKPJMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023937
CCCNC1CCCCc2c1cn(c2)CCCN(C)C	PC-id_114526232	277.448	YJSKBVMRJBITNH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023938
CNC(c1cscc1)c1cc2c(s1)CCCCC2	PC-id_104988465	277.448	SRYOHKVAAKJBSC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-023939
n1(cc2C(NCC)CCCCc2c1)CCN(CC)CC	PC-id_83212332	277.448	BSEKRMPVBZEIBY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023940
N(c1n[nH]c2c1CCCCCCCCCC2)C(C)(C)C	PC-id_63531625	277.448	QZBOBKVYZMHHAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023941
[nH]1c2CCCCCCCCCCc2nc1CNC(C)C	PC-id_63927412	277.448	YAJQGITWWKTSLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023942
[nH]1c2CCCCCCCCCCc2nc1CNCCC	PC-id_63927597	277.448	BNOGLUBVVREUKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023943
[nH]1nc(NCC(C)C)c2CCCCCCCCCCc12	PC-id_63531116	277.448	HZWJNBFFZUNQEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023944
s1c2c(CCCCC2)cc1C(N)c1sc(cc1)C	PC-id_43384402	277.448	HDLOZIIXMPSKHH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-023945
s1c2c(CCCCC2)cc1C(N)c1sccc1C	PC-id_55006959	277.448	REIUJLGTLFHDHU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-023946
s1c2c(CCCCC2)cc1C(N)Cc1ccsc1	PC-id_61078288	277.448	IVAIQAVROKTAKD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-023947
s1c2c(CCCCC2)cc1C(NC)c1sccc1	PC-id_43483395	277.448	LPWHLKWPOLIYDO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-023948
s1c2c(CCCCC2)cc1C(N)Cc1sccc1	PC-id_61079604	277.448	OIZSXFKWVRTPCV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-023949
Cc1ccccc2-c1c([nH]c2=O)SC[Si](C)(C)C	PC-id_134997435	277.457	WKSLDPMTFRPCNA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023950
CC1CCC(CC1)C(c1cc2c(s1)CCCCC2)N	PC-id_104988191	277.468	XWOJZKPLFIUGRP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-023951
CC1CCCC(C1)C(c1cc2c(s1)CCCCC2)N	PC-id_104992203	277.468	DEQRECGAIAFDFD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-023952
C=CCCC(c1cc2c(s1)CCCCC2)NCCC	PC-id_104987382	277.468	OWOGFQCDAVKZAK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023953
C=CCCCC(c1cc2c(s1)CCCCC2)NCC	PC-id_104986633	277.468	LQMDJHADPJKBBT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023954
C=CCCCCCC(c1cc2c(s1)CCCCC2)N	PC-id_107011729	277.468	REXYJDOXTFLRJL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023955
CCCNC(c1cc2c(s1)CCCCC2)C1CCC1	PC-id_105049409	277.468	FIKKXRKWBOJBNO-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-023956
CCCNC(c1cc2c(s1)CCCCC2)CC1CC1	PC-id_104986376	277.468	NQOIBOGWUHBTTP-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-023957
CCCNC(c1cc2c(s1)CCCCC2)CC(=C)C	PC-id_105003941	277.468	GJVLVKTUKURBSV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023958
CCCNC(c1cc2c(s1)CCCCC2)C=C(C)C	PC-id_105004570	277.468	DLUZJYZDGIURMS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023959
CCNC(c1cc2c(s1)CCCCC2)C1CCCC1	PC-id_115778349	277.468	HPNFTLDOFIPAST-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-023960
CCNC(c1cc2c(s1)CCCCC2)CC1CCC1	PC-id_115863356	277.468	DVSQCWKFDYUTEC-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-023961
CCNC(c1cc2c(s1)CCCCC2)CCC1CC1	PC-id_104994715	277.468	URWZCMNNAMQSJF-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-023962
CCNC(c1cc2c(s1)CCCCC2)CC(=C)CC	PC-id_105005683	277.468	LSEDDPWDRXYKEP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023963
CCNC(c1cc2c(s1)CCCCC2)CCC(=C)C	PC-id_105039185	277.468	MFXRDCOKLNYGHK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023964
CNC(c1cc2c(s1)CCCCC2)C1CCCCC1	PC-id_114981410	277.468	HYQWCVMHXGBYIU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-023965
CNC(c1cc2c(s1)CCCCC2)CC1CCCC1	PC-id_115847379	277.468	UJPFDABHUCOXCT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-023966
NC(c1cc2c(s1)CCCCC2)C1CCCCCC1	PC-id_105027889	277.468	VNJCMMNNSNUPHB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023967
NC(c1cc2c(s1)CCCCC2)CC1CCCCC1	PC-id_115842233	277.468	JVMPFLWBTRAGTE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-023968
s1c2c(CCCCC2)cc1CNC1CCCCCC1	PC-id_63505424	277.468	HEGVJKSUEXBNOS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-023969
Clc1c(OC2CCN(Cc3occc23)C)cccc1	PC-id_68411753	277.746	SRKRLUSPRKQJDS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-023970
Clc1ccccc1Cn1nc2CCCCCn2c1=O	ZINC22_98211248,PC-id_75526909,MCULE-2569012802,EMOLS-id_48463971,SPECS-id_AT-687/NB01989	277.749	TUOAUOUWGXMXKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023971
Clc1ccccc1OCc1nnc2CCCCCn12	EMOLS-id_31846233,ChEMBL-DNDi_CHEMBL1716098,ZINC22_3394866,PC-id_2513355,MCULE-3598325365	277.749	JPDKIGZTZUQTLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023972
Clc1ccc(OCc2nc3n(n2)CCCCC3)cc1	CoCoCo_6600623,ZINC22_28527157,PC-id_16458518,MCULE-2327619900	277.749	CDLQQYMLOFKXSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023973
Clc1ccc(OCc2nnc3CCCCCn23)cc1	CoCoCo_5791646,PC-id_1563811,MCULE-6669787794,EMOLS-id_5677817,ZINC22_1771994	277.749	MDTIFFVGGXFAKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023974
Clc1n(c(nc1)Cn1cc2CCCCC(=O)c2c1)C	PC-id_83207582	277.749	YRWFPBLSDVNGPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023975
Clc1ccccc1CNC1CCn2c(CC1)nnn2	EMOLS-id_318059840,MCULE-7315458382	277.753	GJBPTLZKFFEKPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023976
Clc1ccc(cc1)CNC1CCn2c(CC1)nnn2	MCULE-3715364546,EMOLS-id_318125414	277.753	OMZMDJULSNJRJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023977
Clc1cccc(c1)CNC1CCn2c(CC1)nnn2	MCULE-4621247043,EMOLS-id_318314428	277.753	JRUGDSAUDOQJPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-023978
Clc1ccc(nc1)NCc1nnc2n1CCCCC2	EMOLS-id_317951425,MCULE-2163511915	277.753	CYPMZSDJDMMMJE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-023979
Clc1cccnc1NCc1nnc2n1CCCCC2	MCULE-2828974579,EMOLS-id_317935817	277.753	DMADWFWAWLKWLE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-023980
Clc1ccc(nn1)NCc1cnc2n1CCCCC2	EMOLS-id_318632769,MCULE-8089360100	277.753	UPADWJRQBXVUDD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-023981
Clc1ccnc(c1)NCc1nnc2n1CCCCC2	MCULE-9035112252,EMOLS-id_318761582	277.753	GAPARKZNCSPVBG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-023982
Clc1cnccc1NCc1nnc2n1CCCCC2	MCULE-7957719049,EMOLS-id_100805672	277.753	TYJXZZOTLMAEGB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-023983
Clc1cncc(n1)NCc1cnc2n1CCCCC2	MCULE-1663710565,EMOLS-id_318624005	277.753	QBIGVUJDJYMPAG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-023984
Clc1cnc(NCc2n[nH]c3c2CCCCC3)nc1	ZINC22_952869972,MCULE-4197828492,EMOLS-id_290016907	277.753	RPULVNKZBMQMGU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-023985
CC1(C)CCCCc2c(CS(=O)(=O)Cl)noc12	MCULE-6851368696,EMOLS-id_259608311	277.768	UNTAOMBYSSRIMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023986
C1CCc2c(CC1)sc(c2)Nc1ccc(cc1)Cl	PC-id_90947534	277.812	QUACHCZYNFFXCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-023987
Clc1ccccc1CN1CCc2c(CC1)ccs2	SCHEMBL11292627,PC-id_13072072	277.812	QXTCKMZUINXLDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-023988
Clc1c(CN2CCCc3sccc3C2)cccc1	PC-id_13072090	277.812	AGYJFQCSPDOIAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-023989
CC1=NC2=C(O1)CCN(CC2)I	PC-id_147481982	277.992	FDVHWTFYXNDNKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023990
C1=CN=CC2=CN=CC2=C1OS(=O)(=O)C(F)(F)F	PC-id_154269630	277.997	GUPJYGJDGICBGU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-023991
CN1C2=C(CCC[I-]CC2)N=N1	PC-id_149598104	278.016	MILNKYQAGWLBFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023992
FC1CC=Cc2c(C1)[nH]nc2I	SCHEMBL19250516	278.065	QDNNKSSGDMJCOT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-023993
CC1Cc2[nH]nc(I)c2CCO1	EMOLS-id_324106195,PC-id_142592420	278.09	DHGHICPRGUXWPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023994
Cc1nn2c(c1I)OCCCC2	PC-id_135246360,SCHEMBL20406091	278.09	XERWJAUNFHVYRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023995
C[C@@H]1Cc2[nH]nc(I)c2CCO1	EMOLS-id_324106707,PC-id_142592534	278.09	DHGHICPRGUXWPQ-RXMQYKEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023996
C[C@H]1Cc2[nH]nc(I)c2CCO1	PC-id_142592616,EMOLS-id_324106451	278.09	DHGHICPRGUXWPQ-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023997
CCCN(C(=O)C1=CC2=C(C=CS2)N=CC1)OCC	PC-id_164883530	278.109	IMGQWOOVOWWWSD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-023998
COC(=O)C=CCNC(=O)C1=NOC2=C1CCCCC2	MCULE-4481835614,PC-id_154796388	278.127	PPGGDJSAOMCQTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-023999
Cn1cnc2c1N=C(CC=C2NC1CCCCC1)Cl	PC-id_163639080	278.13	ICQDGYIUGBGLRH-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-024000
CC(C)C1=CC2=NC(=O)N(C2=CC=C1)CC3=CC=CC=C3	PC-id_154145496	278.142	IMARTUQASMGRNM-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-024001
CC(C)(C)C1=CC2=C(CN(C1=O)C(C)(C)C)N=CS2	PC-id_161650954	278.145	VWBVGWJJYQHHFW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024002
CC(C)(C)C1=CC2=C(CN(C1=O)C(C)(C)C)SC=N2	PC-id_161650953	278.145	KGAJYAPLYAAQKG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024003
CC(C)(C)C1C=CC2=C(N(C1=O)C(C)(C)C)SC=N2	PC-id_161650952	278.145	WRDKCAQDDKULIL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024004
FC1(F)C(F)(F)Oc2cscc2COC1(F)F	PC-id_142879825	278.172	SNKJJNUWZJQSCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024005
CCC1=NN2CC(=O)N(CCC2=C1)CCN3CC(C3)O	PC-id_153397757	278.174	UYTJKDUWNZXTSK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024006
Cc1ccc2-c(cc1)c(cc2C(F)(F)F)C(F)(F)F	SCHEMBL15931134,PC-id_90325340	278.193	MNMBBCDRAAQWDU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024007
Cc1cccc2-c(c1)c(cc2C(F)(F)F)C(F)(F)F	PC-id_90325339,SCHEMBL15931132	278.193	KMYLAOHPHVRUML-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024008
CC(C)C(=O)NCCCN1C2=C(CCCCCC2)N=N1	PC-id_164779248	278.211	TUQIDKKTPNJKFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024009
Fc1ccc(c(c1)C(=O)N1CCn2c(CC1)nnc2)F	PC-id_42372303,CoCoCo_1178700	278.257	WYSIPYIGLOPGOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024010
Fc1cncc(c1C(=O)N1CCCc2c(C1)c[nH]n2)F	EMOLS-id_320118912,MCULE-1458956682	278.257	DWYAVHYNZKEYSZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-024011
O=c1n2CCCCCc2nn1Cc1onc(c1)C(=O)O	PC-id_61397437	278.264	PQMOXXBYXBBWFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024012
O=Nc1ccccc1/N=N/c1c(=O)[nH]c2-c1ccccc2	SCHEMBL13078194	278.265	PAJHVZUZDKTURY-ISLYRVAYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-024013
c1ccc2-c(c(c(=O)[nH]2)N=Nc2ccccc2N=O)cc1	PC-id_136478364	278.266	PAJHVZUZDKTURY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-024014
[N-]=[N+]=NCCCN1CCCn2c(C1=O)cc(n2)C(=O)O	PC-id_141814995	278.267	FCCHLFZMAVQWIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024015
O=C(C1=C(n2c(=NN=N1)c(=C=N)nc2)C)c1ccccc1	PC-id_15967511	278.269	RKVJMEOHHSUIOM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-024016
O=C(C1=C(n2c(N=NN1)c(nc2)C#N)C)c1ccccc1	PC-id_10381041	278.269	SSJUEUSAIUYIAK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-024017
c1(C(F)(F)F)nn(c2OCCCC(O)c12)C(C)(C)C	MCULE-3465752041,EMOLS-id_320451601	278.271	USKLGNHMBLMSTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024018
Fc1ccc(Cn2c3-c(c(c2=O)C#N)ccccc3)cc1	PC-id_15078676,SCHEMBL9155489	278.28	DVSZUFHESQOKNP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-024019
P(=O)(OCC)(OCC)Cc1c2-c(ccc2)cccc1	PC-id_13624210	278.283	HVISBAVALGAIGB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024020
P(=O)(OCC)(OCC)Cc1ccc2-c(cc1)ccc2	PC-id_13624211	278.283	WVRDKRORMZSTMQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024021
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccno1	PC-id_90625255	278.287	YAIQZZUCEUCVPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024022
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ncn[nH]1	PC-id_90625511	278.29	MQKLWQQDEQUVSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024023
O=C1Nn2cccc2SCC1NC(=O)c1nnc[nH]1	SCHEMBL19031681	278.29	KKJGCYQWIOWVPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024024
O=C(CC(F)(F)F)Nc1nc2c(s1)CCCCC2	ZINC22_44612569,MCULE-2840050557,EMOLS-id_45747525,PC-id_71898447	278.294	IRIDWYGIFCELJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024025
Fc1ccc(c(c1)F)OCC1CCCCc2c1nc[nH]2	SCHEMBL6966007,PC-id_9835345	278.297	WYBIZRONADHCBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024026
O=c1nc2-c(n1CC1CCC(CC1)(F)F)ccccc2	EMOLS-id_319229656	278.297	XMXBXTWVYLHRBW-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-024027
O=c1nc2-c(n1CC1CCCCC1(F)F)ccccc2	EMOLS-id_319472853	278.297	HNJWSIUWHUHFSX-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-024028
O=c1nc2-c(n1CCC1CCCC1(F)F)ccccc2	EMOLS-id_320292618,MCULE-9963182350	278.297	DUHURJUOSFUFNZ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-024029
Fc1cc(ccc1F)NCc1nnc2n1CCCCC2	EMOLS-id_318110700,MCULE-9430246129	278.3	WNEVPJQRVHRHJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024030
Fc1c(cccc1F)NCc1nnc2n1CCCCC2	EMOLS-id_318310959,MCULE-8024807521	278.3	WEFZTNVERWGJEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024031
Fc1ccc(c(c1)NCc1nnc2n1CCCCC2)F	MCULE-5043556502,EMOLS-id_318028066	278.3	JTHPQTPDOIQXTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024032
Fc1cccc(c1NCc1nnc2n1CCCCC2)F	MCULE-9641434178,EMOLS-id_318056861	278.3	SENMKKNBTIMKEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024033
Fc1cc(NCc2nnc3n2CCCCC3)cc(c1)F	MCULE-3505794376,EMOLS-id_318047801	278.3	UNFFHKUXPHNURU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024034
C[C@@H]1OCC[C@@H]1NC(=O)c1coc2c1C(=O)NCCC2	EMOLS-id_318910649	278.304	VKWQNLIWLMOJCG-WPRPVWTQSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024035
CCOC(=O)c1noc2c1CCC/C(=CN(C)C)/C2=O	PC-id_140621619	278.304	SHAVOSCYJRYBSD-CMDGGOBGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024036
CCOC(=O)c1onc2c1CCC/C(=CN(C)C)/C2=O	PC-id_140621618	278.304	FNFWBLZYECESAJ-CMDGGOBGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024037
COC(=O)/C=C/CNC(=O)c1noc2c1CCCCC2	ZINC22_1875311943,PC-id_146099736,EMOLS-id_324045391	278.304	PPGGDJSAOMCQTL-VMPITWQZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024038
O=C(c1noc2c1CCCCC2)NC1(CCC1)C(=O)O	PC-id_120530942,MCULE-6250044309,EMOLS-id_72340536	278.304	XAVOUTSKGZODIU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024039
O=C(c1noc2c1CCCCC2)NCC1(CC1)C(=O)O	PC-id_121872800,MCULE-6037553645,EMOLS-id_72457746	278.304	KBNJTJMWCPIPFN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024040
O=C(C1OCCN(C1=O)C)N1CCCc2c(C1)cco2	EMOLS-id_319259072	278.304	SAGRNABEPSCJNF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024041
O=C(NC1CC(C(=O)O)C1)c1cc2c(o1)CCCNC2	ZINC22_1875279937,PC-id_146143662	278.304	LZTVRRINCRTHTC-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-024042
OC(=O)C1CC(C1)NC(=O)c1noc2c1CCCCC2	PC-id_121985894	278.304	MYIBAUQFZDXMTE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024043
OC(=O)C1CCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_303095109,PC-id_121869982,MCULE-9251215972	278.304	XMBMTPQMQBNXDY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024044
OC(=O)C1CCN(C1)C(=O)c1noc2c1CCCCC2	PC-id_120533911,MCULE-2667917602,EMOLS-id_72339810	278.304	CXXGBGGRYVKRFM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024045
OC(=O)C(C1CC1)NC(=O)c1noc2c1CCCCC2	MCULE-6073771879,EMOLS-id_72330816,PC-id_120521191	278.304	ZIXVORHRHWYRNE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024046
OC(=O)[C@H]1CCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_72127710,PC-id_121771270,MCULE-4225356630	278.304	XMBMTPQMQBNXDY-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024047
OC(=O)[C@@H]1CCCN1C(=O)c1noc2c1CCCCC2	PC-id_121897951,MCULE-3251680876,EMOLS-id_72506024	278.304	XMBMTPQMQBNXDY-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-024048
OC(=O)[C@@H]1C[C@@H](C1)NC(=O)c1noc2c1CCCCC2	MCULE-1960721042,EMOLS-id_72677335	278.304	MYIBAUQFZDXMTE-DTORHVGOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024049
OC(=O)CN(C(=O)c1noc2c1CCCCC2)C1CC1	PC-id_120517615,MCULE-7865086732,EMOLS-id_57594047	278.304	GTMYUHCURWADKZ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024050
c1(CN2CC(CC2=O)C(=O)O)nnc2CCCCCn12	PC-id_50975843,EMOLS-id_32420524,MCULE-6860447458	278.307	BAMZRSPVSHHGOC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024051
c1(C(=O)N2CC(C2)O)cc2n(CCCN(C(=O)C)C2)n1	PC-id_56742989,ZINC22_67674752,MCULE-9957442385,EMOLS-id_36575480	278.307	IURPFWASLYLFLQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024052
CC1(C)Cc2n[nH]cc2CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	EMOLS-id_316183130,MCULE-9277846507,ZINC22_952892209	278.307	LLHCYBNFDNKBOA-MWLCHTKSSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024053
CC(C(O)C)OC(n1cnc2c1N=CNCC2=O)C=C	SCHEMBL19242615	278.307	XBOGWUXPSIGQMS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024054
CCn1nc(c2c1C(=O)NCC(=N2)CC(C(=O)O)C)C	PC-id_69845531,SCHEMBL6630634	278.307	ULDOJIXWGZYOTQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024055
CNC1C(=O)N(CCc2c1occ2)C(=N)NC(=O)CC	PC-id_141978821	278.307	RZRRRICMCCAIGC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024056
COCCn1nc2CCN(CCn2c1=O)C(=O)C#CC	PC-id_146072744,MCULE-7130574308,EMOLS-id_324055226	278.307	IANHDVDHISBTSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024057
COC(=O)CCC1=Nc2c(C)nn(c2C(=O)NC1)CC	PC-id_9856873,SCHEMBL5407333	278.307	FNYPCWKXSRFKFY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024058
O=C1c2n(CCCCCCC(=O)O)cnc2NC=NC1	PC-id_10564536	278.307	KPUREXRXDNSAOT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024059
O=C1c2ncn(CCCCCCC(=O)O)c2NC=NC1	PC-id_10588646	278.307	JWVMSGYLYOYYNW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024060
O=C1NC(Cc2ncn(CC/C=N/CCC1)c2)C(=O)O	PC-id_85960265	278.307	KIIIUQYEZHDBEN-LHHJGKSTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024061
O=C1N(CCCC(=O)C)CC(=O)N(c2ncn(c12)C)C	PC-id_60140997	278.307	OJRCYIOQMWBHGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024062
O=C1OCC[C@@H]1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319556759	278.307	YDBOEUGVUXNSBN-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-024063
O=C(C1OCCN(C1=O)C)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319835650	278.307	SJNZSDANZRESKM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024064
O=CN1CCCn2c(C1)cc(n2)C(=O)N1CCOCC1	PC-id_144720903	278.307	WMYQFSNAQKYYQF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024065
O=C(NC(c1n2CCCCCc2nn1)C)/C=C/C(=O)O	PC-id_60941045	278.307	VADDEQIQGNVOTG-VOTSOKGWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024066
O=C(NC(c1n2CCCCCc2nn1)C)C=CC(=O)O	PC-id_76864242	278.307	VADDEQIQGNVOTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024067
O=C(O)[C@@H]1CC(=O)N(Cc2nnc3n2CCCCC3)C1	ZINC22_65464436	278.307	BAMZRSPVSHHGOC-SECBINFHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024068
O=C(O)[C@H]1CC(=O)N(Cc2nnc3n2CCCCC3)C1	ZINC22_65464443	278.307	BAMZRSPVSHHGOC-VIFPVBQESA-N	00000010100000000101000000000010000000000000000000000000	31-01-024069
Cc1ccc(cc1)N=Nc1cc2c([nH]nc2c(=O)cc1)C	PC-id_135703728	278.309	NLUNLPZNZJEPDF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-024070
CC(c1ccccn1)NC(=O)c1nnc2-c1ccccc2	PC-id_90684800	278.309	JOBIGHXWOKSTSP-UHFFFAOYSA-N	00000010100000101111000000000010000000000000000000000000	31-01-024071
O=C(c1nnc2-c1ccccc2)NCCc1ccccn1	PC-id_140524660	278.309	RHFCJIOVZAUDSV-UHFFFAOYSA-N	00000010100000101111000000000010000000000000000000000000	31-01-024072
Cn1c2c(cn1)N(C(=O)[C@H](CC2)NC(=O)C(N)N=C)C	PC-id_135136324,SCHEMBL20282793	278.31	PUUGCHDVHCQGEP-BYDSUWOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024073
n12CCNCCc1nnc2CNC(=O)C1CCC(=O)N1	EMOLS-id_68884295,PC-id_118759231,MCULE-6592107811	278.31	NTAKDLARPQYRQZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024074
O=C1CC[C@H](C(=O)NCc2nnc3n2CCNCC3)N1	ZINC22_299769141	278.31	NTAKDLARPQYRQZ-MRVPVSSYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024075
O=C1CC[C@@H](C(=O)NCc2nnc3n2CCNCC3)N1	ZINC22_299769142	278.31	NTAKDLARPQYRQZ-QMMMGPOBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024076
CCOC(=O)c1cc2c(s1)C=C(C=CC2)C(=O)OC	PC-id_143033339	278.324	BCKZWFSDCHLUCN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-024077
O=Cc1cc(c2-c1c(C)cc(cc2C)C)OS(=O)O	PC-id_139330163	278.324	PNDOCFKIDRHNCL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024078
O=Cc1cc(c2-c1c(C)cc(cc2C)C)OS(=O)=O	SCHEMBL21177494	278.324	HVIAMXGQXRTEEB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024079
O=Cc1cc(c2-c1c(C)cc(cc2C)C)S(=O)(=O)O	SCHEMBL7788601,PC-id_22003076	278.324	SOXLKQIQUASHMG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024080
CC1(C(=CC(=C)c2c(ccs2)C(=O)N1)C(=O)N)OC	PC-id_137399152,SCHEMBL20630736	278.327	ORBZHOIRNRVOOC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-024081
OCc1onc(c1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_316424002,MCULE-3484281341	278.327	UOAHOHFWERBHHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024082
O=C(N1CCCc2c(C1)cco2)COc1ccsn1	EMOLS-id_318963546	278.327	ZGCJDENENZXOQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024083
O=C(N1CCCc2c(C1)ccs2)COc1ccon1	EMOLS-id_319379073	278.327	PWLHOZNVSQDMHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024084
OC(=O)c1noc(c1)CN1CCCc2c(C1)ccs2	EMOLS-id_318512144,MCULE-9446407858	278.327	RDSNVPYTNJYCHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024085
O=S(=O)(N1CCCc2c(C1)cco2)c1ccccn1	EMOLS-id_99301744	278.327	GWXKJYPVCAAIRL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-024086
s1c2CCCCCc2c(c1NC(=O)CC(=O)O)C#N	PC-id_62230393	278.327	SRPDEJQSPYHTCZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024087
FCCn1ncnc1CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319356847	278.329	NAMHIULVMGXTCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024088
C1CN(CCn2c1n[nH]c2=O)C(=O)Cc1cccs1	PC-id_91922346	278.33	CUAXSAKAGRJDAE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-024089
c1(C(=O)/N=c/2[nH]nc(C)s2)c2CCCCCc2on1	PC-id_45491601,STOCK6S-87581,ZINC22_36354588,MCULE-4479257781,EMOLS-id_29921871,EMOLS-id_46526775	278.33	JABAXEQPPNGIEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024090
Cc1ccsc1C(=O)N1CCc2n[nH]c(=O)n2CC1	PC-id_91922344,EMOLS-id_50585801,MCULE-4960509181	278.33	ODWQLOOKBHJCET-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-024091
Cc1nsc(n1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111932539	278.33	KBLUWVHFQSQIMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024092
Cn1nc2CCN(CCn2c1=O)C(=O)c1ccsc1	MCULE-6775080246,EMOLS-id_96925559,PC-id_110197877	278.33	SEHAWYUKHISDMY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-024093
CNC1C(=O)N(CCc2c1occ2)Cc1nncs1	SCHEMBL14172457,PC-id_23554484	278.33	BGBOHNFCRNZHQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024094
CNC1C(=O)N(CCc2c1occ2)Cc1nscn1	SCHEMBL14172417,PC-id_23554476	278.33	VXZFJDGQTRGWQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024095
CNC1C(=O)N(CCc2c1ocn2)Cc1cncs1	PC-id_23554671,SCHEMBL14172378	278.33	JTMSSUCAOXEMNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024096
CNC1C(=O)N(CCc2c1ocn2)Cc1nccs1	SCHEMBL14172377,PC-id_23554659	278.33	SKKIBEJZCXXGOV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024097
CNC1C(=O)N(CCc2c1ocn2)Cc1ncsc1	PC-id_23554667,SCHEMBL14172355	278.33	GPBVFOXAEJCMIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024098
CNC1C(=O)N(CCc2c1scc2)Cc1nnco1	PC-id_23554482,SCHEMBL14172225	278.33	VRUFXOBNSQBNLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024099
CNC1C(=O)N(CCc2c1scc2)Cc1nocn1	PC-id_23554474,SCHEMBL14172233	278.33	PUFWPGIAKBGRJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024100
CNC1C(=O)N(CCc2c1scn2)Cc1ccno1	PC-id_23554914,SCHEMBL14172324	278.33	LLXOHDLWRAAYGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024101
CNC1C(=O)N(CCc2c1scn2)Cc1cnco1	SCHEMBL14172308,PC-id_23554569	278.33	PKXSNSMUDIKXIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024102
CNC1C(=O)N(CCc2c1scn2)Cc1ncco1	PC-id_23554557,SCHEMBL14172316	278.33	QXFUUVURHZQKGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024103
CNC1C(=O)N(CCc2c1scn2)Cc1ncoc1	PC-id_23554565,SCHEMBL14172293	278.33	DHWMVBSYXHEDDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024104
Nc1ncc(o1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-3519441930,EMOLS-id_320289179	278.33	ZVLKGJNBPUIYCT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024105
O=C(c1ccsc1)NC1CCn2c(CC1)n[nH]c2=O	EMOLS-id_96926026,MCULE-5024483911,PC-id_110197900	278.33	DDOWAGRGWICLSY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-024106
OCc1nnn2c1CN(CCC2)C(=O)c1cscc1	PC-id_97413547	278.33	OJXKOAWZEPASPK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-024107
O=C(N1CCCc2c(C1)cco2)Cc1nnc(s1)N	EMOLS-id_319523935	278.33	YCXINFFOPLFTCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024108
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CC=CC(C(=O)NCCc1nnc2n1CCCCC2)O	EMOLS-id_316483581	278.35	JXPRUZNBIQXHTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024208
CCC(=O)NC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319198231	278.35	PCLGJTRGDMGDLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024209
CCO[C@@H]1CN(C(=O)N2CCCC2)Cc2ccnn2C1	ZINC22_306127624	278.35	GDRLOFLHRKNCPM-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024210
CCO[C@H]1CN(C(=O)N2CCCC2)Cc2ccnn2C1	ZINC22_306127625	278.35	GDRLOFLHRKNCPM-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024211
CC(=O)NCC(=O)N1CCCn2c(C1C(C)C)ncc2	MCULE-4723821170,EMOLS-id_97057054	278.35	WVOHPNZYSGNTHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024212
Cn1ncc2c1CCCN(C(=O)COC1(C)CNC1)C2	MCULE-7121449449,ZINC22_1775960658,EMOLS-id_316167000	278.35	YWBVSDFJWUACHI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024213
COC1(CCC1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316634714	278.35	RERRXMXQRFHFSX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024214
COC1CN(C1)CCc1cc2n(n1)CCCC(=O)N2C	PC-id_145225318	278.35	LANFJWVKLWVUIP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024215
COC1CN(CC(=O)N2CCCC2)Cc2ccnn2C1	EMOLS-id_50011426	278.35	KHCWXKOHHMWZRU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024216
COCC1(CCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316635228	278.35	VJXSRCMLKFKFNI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024217
COCC1CN(Cc2cncn2C1)C(=O)N1CCCC1	EMOLS-id_49229735	278.35	ORLNAOTWSCAYKJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024218
COCC1CN(Cc2nccn2C1)C(=O)N1CCCC1	EMOLS-id_44325817	278.35	CBLIPDKVCUMMCS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024219
COC[C@H]1CN(C(=O)N2CCCC2)Cc2cncn2C1	ZINC22_96207160,PC-id_97475292	278.35	ORLNAOTWSCAYKJ-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024220
COC[C@@H]1CN(C(=O)N2CCCC2)Cc2cncn2C1	ZINC22_96207162,PC-id_97475294	278.35	ORLNAOTWSCAYKJ-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024221
COC[C@@H]1CN(C(=O)N2CCCC2)Cc2nccn2C1	PC-id_97462238,ZINC22_96187785	278.35	CBLIPDKVCUMMCS-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024222
COC[C@H]1CN(C(=O)N2CCCC2)Cc2nccn2C1	ZINC22_96187784,PC-id_97462237	278.35	CBLIPDKVCUMMCS-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024223
CO[C@@H]1CCC[C@H]1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319488548	278.35	CNEAGOJCSVICIW-PQDIPPBSSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024224
CO[C@@H]1C[C@@H](C1)N(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319891976,MCULE-9976714099	278.35	QSYGZPFEBAUFQN-YOGCLGLASA-N	00001000100000000101000000000010000000000000000000000000	31-01-024225
CO[C@@H]1CN(CC(=O)N2CCCC2)Cc2ccnn2C1	ZINC22_247839133	278.35	KHCWXKOHHMWZRU-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024226
CO[C@H]1CN(CC(=O)N2CCCC2)Cc2ccnn2C1	ZINC22_247839136	278.35	KHCWXKOHHMWZRU-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024227
n12CCCCCc1nn(CC(=O)NC1CCCC1)c2=O	SPECS-id_AT-687/NB01932,MCULE-1705381991,EMOLS-id_48461795,PC-id_36282924,ZINC22_29108336	278.35	CANBBRYNFIDNFT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024228
NCC1(CCCOC1)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_317952945	278.35	PDHYQPKIYLPPRJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024229
NC(=O)CN1CCCn2nc([C@@H](O)C3CCC3)cc2C1	ZINC22_220706911,PC-id_100063767	278.35	RORDMDVPXSHYRT-AWEZNQCLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024230
NC(=O)CN1CCCn2nc([C@H](O)C3CCC3)cc2C1	ZINC22_220706981,PC-id_100063769	278.35	RORDMDVPXSHYRT-CQSZACIVSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024231
S(=O)(Oc1c2-c(c(c1)CC)cccc(C(C)C)c2)O	PC-id_57076720	278.367	HKUQJKVDGVTPTI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024322
O1C(CCC1)C(=O)NC(c1n2CCCCCc2nn1)C	EMOLS-id_35688578,MCULE-9375241569,PC-id_53502960	278.35	ZLZPEMHKMODRLD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024232
O1C(CCC1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_47137278,EMOLS-id_303852663	278.35	YMBIARRHRZZTRF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024233
OC1CN(C(C1)(C)C(=O)N1CCCc2c(C1)c[nH]n2)C	EMOLS-id_319501200	278.35	YAQNUISHSXZDEO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024234
O=C1C(N)CCn2c(N1C)cc(n2)CC1CCOCC1	SCHEMBL18367458	278.35	XYEQDMAMPCYCLZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024235
O=C1NCCCc2[nH]c(CCN3CCC[C@H](O)C3)nc12	ZINC22_65490949	278.35	ITDFVAZKXKRQIS-JTQLQIEISA-N	00000000100010000101000000000010000000000000000000000000	31-01-024236
O=C1NCCCc2[nH]c(CCN3CCC[C@@H](O)C3)nc12	ZINC22_65490952	278.35	ITDFVAZKXKRQIS-SNVBAGLBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024237
O=C(C1(C)CCCO1)NCc1nnc2n1CCCCC2	EMOLS-id_111946932	278.35	BJRDRQMZTMNLTD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024238
O=C(C1CCn2c(CC1)nnc2)NC1(C)CCCOC1	EMOLS-id_320222650,MCULE-9934731474	278.35	UJERRVLRSQKYSX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024239
O=C(C1CCn2c(CC1)nnc2)NC1CCOC1(C)C	MCULE-4678487053,EMOLS-id_320101801	278.35	IRNKWTWPWPHFFT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024240
O=C(C1CCn2c(CC1)nnc2)NCC1(C)CCCO1	EMOLS-id_319350606	278.35	ZPBDNFPYRBGQPI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024241
O=C(C1CCn2c(CC1)nnc2)NOC1CCCCC1	EMOLS-id_319617177	278.35	XVDUHXMCFLYDOL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024242
O=C(Cn1nc2n(c1=O)CCCCC2)N1CCCCC1	PC-id_40089703,MCULE-3834636888,EMOLS-id_45739956,ZINC22_32855932,CoCoCo_4406403	278.35	XLUCQEAHUJSRTO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024243
O=C(COCC1CC1)NCc1nnc2n1CCCCC2	EMOLS-id_33306973,ZINC22_58431350,MCULE-1966206711,PC-id_51081130	278.35	YWORETCBFKQSMQ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024244
O=C(COCC1CNCc2nccn2C1)N1CCCC1	EMOLS-id_46148481	278.35	HWVBFWFOAQKYGY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024245
O=C(COC[C@H]1CNCc2nccn2C1)N1CCCC1	PC-id_97381784,ZINC22_96059131	278.35	HWVBFWFOAQKYGY-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024246
O=C(COC[C@@H]1CNCc2nccn2C1)N1CCCC1	PC-id_97381785,ZINC22_96059132	278.35	HWVBFWFOAQKYGY-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024247
O=C(N1CCc2n(CC1)c(nn2)C(C)C)[C@@H]1CCCO1	CoCoCo_1421776	278.35	TZTJRJYXSGOZDA-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-024248
O=C(N1CCc2n(CC1)c(nn2)C(C)C)[C@H]1CCCO1	CoCoCo_1421777	278.35	TZTJRJYXSGOZDA-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024249
O=C(N1CCCc2c(C1)c[nH]n2)CC1(O)CCCNC1	EMOLS-id_319185933	278.35	NBFKTVOVJDNWQS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024250
O=C(N1CCCc2c(C1)cnn2C)NCC1CCCO1	EMOLS-id_303386552	278.35	MPDVERWNBXZLBW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024251
O=C(N1CCCc2c(C1)cnn2C)NC[C@H]1CCCO1	EMOLS-id_101693933	278.35	MPDVERWNBXZLBW-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024252
O=C(N1CCCc2c(C1)cnn2C)N[C@@H]1CCCOC1	EMOLS-id_101708324	278.35	FNUJDTMFBSGTTC-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024253
O=C(N1CCOCC1(C)C)C1CCn2c(CC1)nnc2	EMOLS-id_316482185	278.35	OHNJXUNSNJQCFO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024254
O=C(N1CCOC(C1)(C)C)C1CCn2c(CC1)nnc2	MCULE-9703385308,EMOLS-id_320015401	278.35	XSLZJZLBVHVWFR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024255
O=C(NCC1CCOCC1)c1cn2c(n1)CCNCC2	ZINC22_1857721474	278.35	QJHLTCDNXXCBNK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024256
O=C(NC(c1n2CCCCCc2nn1)C)CCC(=O)C	PC-id_65416979	278.35	OEODTBKCEIEUTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024257
O=C(NCCc1nnc2n1CCCCC2)[C@@H]1CCCO1	EMOLS-id_189695209,MCULE-2106165803,ZINC22_48421696	278.35	YMBIARRHRZZTRF-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-024258
O=C(NC[C@H]1CCCCO1)c1cn2c(n1)CCNCC2	ZINC22_1875244984	278.35	FFEWBLHTMIJZTF-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024259
O=C(NC[C@@H]1CCCCO1)c1cn2c(n1)CCNCC2	ZINC22_1875244985	278.35	FFEWBLHTMIJZTF-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-024260
n12CCCCCc1nnc2/C(=C/c1cc(ccc1)C)/C#N	CoCoCo_3456377,PC-id_6163917	278.352	JLVJOHLBVVABOL-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024261
n12CCCCCc1nnc2C(=Cc1cc(ccc1)C)C#N	MCULE-8898401481,PC-id_4611903	278.352	JLVJOHLBVVABOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024262
n12CCCCCc1nnc2C(=Cc1c(cccc1)C)C#N	MCULE-9346196552,EMOLS-id_300760118,PC-id_71903542	278.352	XITDOSYLPYNVKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024263
n12CCCCCc1nnc2/C(=C/c1c(cccc1)C)/C#N	PC-id_25574613,CoCoCo_3456363	278.352	XITDOSYLPYNVKS-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024264
n12CCCCCc1nnc2C(=Cc1ccc(cc1)C)C#N	PC-id_3692121,EMOLS-id_26092885,MCULE-6268636283	278.352	KHPALQIRUSTTOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024265
n12CCCCCc1nnc2/C(=C/c1ccc(cc1)C)/C#N	PC-id_5896276,CoCoCo_3456367	278.352	KHPALQIRUSTTOT-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024266
N#C/C(=C/c1ccccc1C)/c1nnc2n1CCCCC2	CoCoCo_3456364	278.352	XITDOSYLPYNVKS-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024267
N#C/C(=C/c1ccc(cc1)C)/c1nnc2n1CCCCC2	CoCoCo_3456368,ChEMBL-DNDi_CHEMBLF0784-0140	278.352	KHPALQIRUSTTOT-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024268
N#C/C(=C/c1cccc(c1)C)/c1nnc2n1CCCCC2	CoCoCo_3456378	278.352	JLVJOHLBVVABOL-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024269
c12C(CCCCn1nnn2)C(=O)NCCN1CCCC1	MCULE-9899572021,EMOLS-id_49664334,PC-id_74242565	278.353	KOURREFFXYCGPC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024270
CC1CCCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183093	278.353	PBOTXGJDKTXSEC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024271
CC1CCCCN1NC(=O)C1CCn2c(CC1)nnn2	EMOLS-id_278958851	278.353	RCODHXNBTZAMQI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024272
CC1CCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028598	278.353	RCAZKXAOTVXDPI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024273
CC1CCN(C1C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164998	278.353	ZCJSXPMRUQAMPJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024274
CC1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028601	278.353	KQVIEXFZIUREBC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024275
CC1CN(CC1C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164929	278.353	GIVPHZCBVMAMTB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024276
CCC1(CCC1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164989	278.353	TWDABWCSVMSRLC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024277
CC(C1CCN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102167026	278.353	QAUOHEZHEMEVFF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024278
CCC1(C)CN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161242	278.353	MWVONZSVRYRTFE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024279
CCC1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165082	278.353	IXKBJGIWIGRQEJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024280
CCC1(CNC(=O)NC2CCn3c(CC2)nnn3)CC1	EMOLS-id_102182817	278.353	FFYIKFCFVGSIQN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024281
CC[C@@H]1C[C@H]1CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182883	278.353	LQQZACBQLKFYAL-JKIOLJMWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024282
CCCN(C(=O)NC1CCn2c(CC1)nnn2)C1CC1	EMOLS-id_102163168	278.353	OGWHXPDWWKQLMV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024283
CC(N(C(=O)NC1CCn2c(CC1)nnn2)C1CC1)C	EMOLS-id_102165019	278.353	MDNUGLBGUMTDMM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024284
CCN(C(=O)NC1CCn2c(CC1)nnn2)CC1CC1	EMOLS-id_102163285	278.353	NYDVGCSDLIHVJS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024285
CN1CCC(C1)C(=O)NCc1nnc2CCNCCn12	MCULE-7969149014,PC-id_118759795,EMOLS-id_68910285	278.353	QTDMJTNBIVSIBY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024286
CN1CCCC[C@H]1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319733108	278.353	YALRNACWIBAXDE-DTIOYNMSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024287
CN1CC[C@H](C(=O)NCc2nnc3n2CCNCC3)C1	ZINC22_299783113	278.353	QTDMJTNBIVSIBY-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-024288
CN1CC[C@@H](C(=O)NCc2nnc3n2CCNCC3)C1	ZINC22_299783127	278.353	QTDMJTNBIVSIBY-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024289
CN(C(=O)NC1CCn2c(CC1)nnn2)C1CCCC1	EMOLS-id_102028589	278.353	KALLEWCXLGSFAF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024290
CN(C(=O)NC1CCn2c(CC1)nnn2)CCC1CC1	EMOLS-id_102166894	278.353	LGWMNZQUWADJRT-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024291
NC(=NCc1nnc2n1CCCCC2)N1CCOCC1	PC-id_111031884	278.353	KYKIIRPFJOZLLD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024292
O=C(N1CCCC1(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102163153	278.353	AUEYUJPNIPXXMG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024293
O=C(N1CCC(C1)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102164914	278.353	NWAVRZOEFOLSPC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024294
O=C(N1CCCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183045	278.353	DZBIKLWCBUVLHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024295
O=C(NC1(CC1)C(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102161320	278.353	MFLBBVCRTCOJDX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024296
O=C(NC1CCCC1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102176618	278.353	CINWEBQDNPRPLO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024297
O=C(NC1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102180414	278.353	ISIVAPQSOGQSNG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024298
O=C(NC1CCn2c(CC1)nnn2)NCC1CC1(C)C	EMOLS-id_102178052	278.353	BYGNTGIHKAYUCP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024299
O=C(NC1CCn2c(CC1)nnn2)NCC1CCCC1	EMOLS-id_102017050	278.353	PNHGGGFYLCVWPB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024300
O=C(NC1CCn2c(CC1)nnn2)NCCC1(C)CC1	EMOLS-id_102174488	278.353	PBFLYDPACXWNFN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024301
O=C(NCCN1CCCC1)[C@@H]1CCCCn2nnnc12	ZINC22_97638061	278.353	KOURREFFXYCGPC-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024302
O=C(NCCN1CCCC1)[C@H]1CCCCn2nnnc12	ZINC22_97638062	278.353	KOURREFFXYCGPC-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-024303
O=C(N[C@@H]1C[C@H]1C(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102158782	278.353	GRGRPELYFJBXSR-QXXIUIOUSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024304
Cc1ccccc2-c1c(cc2C(C)(C)C)S(=O)(=O)O	PC-id_140339352	278.367	LKWXQRRAPUJKFA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024305
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CCC(C)(C)c1cc2-c(ccccc2)c1S(=O)(=O)O	PC-id_88094749	278.367	ZTWOFYXRLGNFLQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024314
CCCCCc1cc(c2-c1ccccc2)S(=O)(=O)O	SCHEMBL10805038,PC-id_13559079	278.367	DVZPWBGVLUZTQJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024315
CCCC(C)c1cccc2-c(c(cc2)S(=O)(=O)O)c1	PC-id_88671547	278.367	BZFOHSPJJILETO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024316
CCC(OS(=O)(=O)c1ccc2-c1ccccc2)CC	PC-id_141553210	278.367	RTBMXYXYMCFKDN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024317
OS(=O)Oc1cc2-c(c1C)cc(ccc2C)C(C)C	PC-id_139333925	278.367	JAFZGUJQCAZHCE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024318
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OS(=O)OCCc1ccc2-c1cccc(c2)C(C)C	PC-id_139330420	278.367	VNWZAEWHOKGPDF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024320
O=S(=O)OCCc1ccc2-c1cccc(c2)C(C)C	SCHEMBL21177848	278.367	LWGAFWCPFZUEIP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024321
S(=O)(=O)(O)c1c2-c(c(c1)CC)ccc(C(C)C)cc2	PC-id_13488763	278.367	CKQIMBUNZODOSI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024323
S(=O)(=O)(O)c1c(c2-c(c1C)cccc(C(C)C)c2)C	PC-id_22357400	278.367	ZQTCKTMNIFSJAH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024324
S(=O)(=O)(OC)c1c2-c(c(ccc(C(C)C)c2)C)cc1	PC-id_152962	278.367	YCNOCVINSKLZHY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024325
c1(NC(=O)C2CC2)sc2c(CCCCC2)c1C(=O)N	PC-id_757855,EMOLS-id_2096147,SCHEMBL8288845,ZINC22_218396,MCULE-4981002514,CoCoCo_684204	278.37	PYJCCEGBKUTGKU-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-024326
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Cc1nc2c(s1)N(CCCC2)C(=O)[C@@]12COC[C@@H]1C2	EMOLS-id_320259889,MCULE-1250759687	278.37	PJYWUTDGWXDVSB-HZMBPMFUSA-N	00100010100000000101010000000010000000000000000000000000	31-01-024328
C/C(=C(/C=N/c1nc2c(s1)CCCCC2)C(=O)C)/O	PC-id_135672205	278.37	DCJZNXWWJMZRDV-SNRFMIGTSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024329
CCOC(=O)C1(C)CCCCc2c1c(C#N)c(s2)N	PC-id_100988074	278.37	JIGWIAKDDIKERW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024330
CNC1C(=O)N(CCc2c1occ2)CC1C=CSC1	SCHEMBL14178810,PC-id_71094728	278.37	JXLZEOYLCYZLEG-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-024331
COC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	PC-id_112685558	278.37	VTYCXWWBRLGBOF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024332
NC(=O)C1CN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_319688115	278.37	KDJGLVAQUAFVIW-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-024333
O=C1CN(CN1C)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_102616307	278.37	ITVBEADLUVVFKC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024334
O=C1CN(C(=O)c2cc3c(s2)CCCCC3)CCN1	PC-id_31096316,CoCoCo_3916177,EMOLS-id_24481659,MCULE-1818940134,ZINC22_23419823	278.37	FJSPCUNMQRTSRT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024335
O=C1NCC(C1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_99034044	278.37	KHTRJTMJAAZVJO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024336
O=C(C1CC1)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-5634111075,EMOLS-id_13521501,PC-id_17461855,CoCoCo_3430038	278.37	QTVWEDBNVBRCDQ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-024337
O=C(N1CCCCc2c1sc(n2)C)[C@@H]1[C@@H]2[C@H]1COC2	EMOLS-id_319358487	278.37	WCNTWZVAZDZUOC-IAZYJMLFSA-N	00100010100000000101010000000010000000000000000000000000	31-01-024338
s1c2CCCCCc2c(c1NC(=O)CCCO)C#N	PC-id_79192313	278.37	VBEXNNPNOMJDJK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024339
s1c2CCCCCc2c(c1NC(=O)COCC)C#N	PC-id_60718437	278.37	DBASJBYIQUUVIY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024340
s1c2CCCCCc2nc1NC=C(C(=O)C)C(=O)C	PC-id_21236048	278.37	KILXOERRJQNFDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024341
CC1CNC(=O)c2c(S1)sc(c2)S(=O)(=O)N	PC-id_19106459,SCHEMBL9429738	278.372	UODNNEHNKDEOFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024342
CC1CSc2c(C(=O)N1)cc(s2)S(=O)(=O)N	PC-id_19106464,SCHEMBL9429777	278.372	ORLMZSLXBNAXNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024343
C[C@H]1CNC(=O)c2c(S1)sc(c2)S(=O)(=O)N	PC-id_67849841,SCHEMBL9429618	278.372	UODNNEHNKDEOFC-BYPYZUCNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024344
C[C@@H]1CNC(=O)c2c(S1)sc(c2)S(=O)(=O)N	SCHEMBL9429518,PC-id_22849724	278.372	UODNNEHNKDEOFC-SCSAIBSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024345
C[C@@H]1CSc2c(C(=O)N1)cc(s2)S(=O)(=O)N	PC-id_22849727,SCHEMBL9429779	278.372	ORLMZSLXBNAXNW-SCSAIBSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024346
C[C@H]1CSc2c(C(=O)N1)cc(s2)S(=O)(=O)N	PC-id_67849877,SCHEMBL9429782	278.372	ORLMZSLXBNAXNW-BYPYZUCNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024347
c12CN(CCCn1nc(CO)c2)Cc1c(C)scn1	EMOLS-id_55696021,PC-id_91792436,MCULE-5256307840	278.373	BBCAHCJZVMXZPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024348
c12CN(CCCn1nc(CO)c2)Cc1scnc1C	PC-id_91782460,MCULE-8366284243,EMOLS-id_55666957	278.373	OLWCLUKQHDXJCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024349
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Cc1c(scc1)CN1CCc2nn(c(=O)n2CC1)C	PC-id_91922410	278.373	PUWOKJSDMPAEPV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-024351
Cc1nc(COCC2CNCc3ccnn3C2)cs1	EMOLS-id_50370038	278.373	YEKCCRBKRUTUDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024352
Cc1nc(COCC2CNCc3nccn3C2)cs1	PC-id_118738887,EMOLS-id_46148501	278.373	CEFYNIYSYDXNSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024353
Cc1nc(COC[C@@H]2CNCc3ccnn3C2)cs1	ZINC22_306143514	278.373	YEKCCRBKRUTUDM-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024354
Cc1nc(COC[C@H]2CNCc3ccnn3C2)cs1	ZINC22_306143515	278.373	YEKCCRBKRUTUDM-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-024355
Cc1nc(COC[C@H]2CNCc3nccn3C2)cs1	PC-id_97381805,ZINC22_96059152	278.373	CEFYNIYSYDXNSF-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-024356
Cc1nc(COC[C@@H]2CNCc3nccn3C2)cs1	ZINC22_96059151,PC-id_97381804	278.373	CEFYNIYSYDXNSF-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024357
Cc1nc(CSc2nnc3n2CCCCC3)oc1C	ZINC22_49517019,MCULE-1213912275,EMOLS-id_36931957	278.373	FWPUKYSUKKNLBJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024358
Cc1nnn2c1COC[C@H](CNCc1cccs1)C2	PC-id_97469377,ZINC22_96199304	278.373	WKHFVIKYQPBUDO-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-024359
Cc1nnn2c1COC[C@@H](CNCc1cccs1)C2	ZINC22_96199303,PC-id_97469376	278.373	WKHFVIKYQPBUDO-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-024360
Cc1nnn2c1COC[C@@H](CNCc1ccsc1)C2	PC-id_97469380,ZINC22_96199307	278.373	YLZHLCKTTWEUJA-LBPRGKRZSA-N	00000000100100000101000000000010000000000000000000000000	31-01-024361
Cc1nnn2c1COC[C@H](CNCc1ccsc1)C2	ZINC22_96199308,PC-id_97469381	278.373	YLZHLCKTTWEUJA-GFCCVEGCSA-N	00000000100100000101000000000010000000000000000000000000	31-01-024362
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Cc1nnn2CC(CNCc3ccsc3)COCc12	EMOLS-id_44332535	278.373	YLZHLCKTTWEUJA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-024364
Cc1noc(C)c1CSc1nnc2n1CCCCC2	ZINC22_13137679,CoCoCo_3081740,MCULE-2006184942,EMOLS-id_15245671,PC-id_17391390	278.373	DQWHKYDIAWZEOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024365
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CC(c1ncc(s1)CN1CCCc2c(C1)c[nH]n2)O	EMOLS-id_316186202,MCULE-3804949200	278.373	SIDJGCTUAGWQCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024366
C[C@@H](O)c1ncc(CN2CCCc3n[nH]cc3C2)s1	ZINC22_952893153	278.373	SIDJGCTUAGWQCW-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024367
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CCn1nncc1Cn1c(=O)sc2c1CCCCC2	MCULE-2984388607,EMOLS-id_101975917	278.373	ZWONWPUUDWBHRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024369
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COc1nsc(c1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319220290	278.373	UOCCRRPTVWMXPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024371
COCC1CN(Cc2nccs2)Cc2ccnn2C1	EMOLS-id_44326787	278.373	BJKFICUOLDMVFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024372
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COCc1nnc2n1CCN(CC2)Cc1cscc1	PC-id_97519276	278.373	BVYONKRDZPSBCE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-024374
COC[C@H]1CN(Cc2nccs2)Cc2ccnn2C1	PC-id_97463313,ZINC22_96188888	278.373	BJKFICUOLDMVFB-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-024375
COC[C@@H]1CN(Cc2nccs2)Cc2ccnn2C1	ZINC22_96188889,PC-id_97463314	278.373	BJKFICUOLDMVFB-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024376
COC[C@H]1CN(Cc2nccs2)Cc2nccn2C1	ZINC22_96059067,PC-id_97381720	278.373	QMLTWEONRMJZRA-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-024377
COC[C@@H]1CN(Cc2nccs2)Cc2nccn2C1	ZINC22_96059068,PC-id_97381721	278.373	QMLTWEONRMJZRA-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024378
NCc1ccc(o1)CSc1nnc2n1CCCCC2	PC-id_104073373	278.373	IMUKRDYMEPGLKV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-024379
s1c2CCCCCc2cc1C(=O)NCCCN=[N+]=[N-]	PC-id_61343623	278.373	MFVOAOCXGHCZCH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024380
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CCc1nsc(n1)NCc1nnc2n1CCCCC2	MCULE-4678193886,EMOLS-id_318271932	278.377	IMWOHODWCSYLEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024382
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s1nnc(CNC(c2n3CCCCCc3nn2)C)c1	PC-id_43746967	278.377	SKHIENINCSAULG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024384
S(c1n2CCCCCc2nn1)c1n(nc(c1N)C)C	PC-id_43554525	278.377	VJBQEXSYOHXSOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024385
S(c1n2CCCCCc2nn1)CCn1ncc(N)c1	PC-id_55039255	278.377	FGCJRCUDWDBHDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024386
S(c1n2CCCCCc2nn1)CCn1nc(N)cc1	PC-id_63316082	278.377	QTLHOLBZVWCEQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024387
COCO[C@H]1CCCc2cc(c(o2)CCCC/C=C
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o1c2CCCCCCCCC=Cc2c(c1CCO)CO	PC-id_85439205	278.387	LBPZVHGNYHEQAD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-024390
o1c(Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)ccc1	PC-id_86074357	278.388	ZANUQHOMDBDFHH-UHFFFAOYSA-N	00000010101000000110000000000010000000000000000000000000	31-01-024391
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CCN(C(=NCCc1nnc2n1CCCCC2)N)CC	PC-id_111039145	278.396	KAIVMWLFYXALMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024501
CC(NC(=NCCCc1nnc2n1CCCCC2)N)C	PC-id_111093729	278.396	AYHNPMAZUSSZEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024502
CC/N=C(NCC)/NCCc1nnc2n1CCCCC2	PC-id_53591915,ZINC22_69656080	278.396	MEXRLLHKKLSDNH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024503
CN=C(NCc1nnc2n1CCCCC2)NCC(C)C	PC-id_111180133	278.396	JGEFGTNWQRYDBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024504
CN(C(=NCCc1nnc2n1CCCCC2)N(C)C)C	PC-id_111039173	278.396	VSIPPTBCHSQZML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024505
CN=C(NC(C)(C)C)NCc1nnc2n1CCCCC2	PC-id_110966576	278.396	YONFTFGWLGQAMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024506
CN=C(NC(C)C)NCCc1nnc2n1CCCCC2	PC-id_111126818	278.396	OPICFPHQPVLDMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024507
NC1CN(N(C1)C)CC(c1nnc2n1CCCCC2)C	TIMTEC235364	278.396	OBQLXJGYSQFOAZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024508
NC(=NCCc1nnc2n1CCCCC2)NC(C)(C)C	PC-id_111039141	278.396	NNMFGESCDQDGKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024509
c12C(=O)CCCCCCCCCCC(=O)c(s1)cc2	ZINC22_35325343,PC-id_13224043,MCULE-5535830406,TIMTEC350901,EMOLS-id_11524748	278.41	ODBUSOJDFGSMTM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024510
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O=C(c1cc2c(s1)CCCCC2)CCC1CCCO1	PC-id_113657902	278.41	XJHOWNMDIHSWLN-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024512
S(c1c2-c(c(cc(cc2C)C)C)cc1)c1ccccc1	PC-id_85774578	278.411	LOPCCTHFPBMDEA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-024513
c1(cc2c(CCCCC2)s1)C(=O)N1CCN(CC1)C	CoCoCo_1071687,EMOLS-id_15800685,TIMTEC69324,PC-id_17250041,ZINC22_16603715,MCULE-8695892972	278.413	BBDMERHXFZDEBW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024514
CC1CCC(C1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319697503	278.413	FNHRWHRVKKBNAN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024515
CC1CCCC1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320006558,MCULE-7805443840	278.413	ZZKORZULXYSOCU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024516
CC1CN(CC1N)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_71267286,MCULE-4340296742,PC-id_103575927	278.413	PKHSEWZPRIJCQD-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024517
CC1CNCCN1C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_301315791,MCULE-6946164158,PC-id_62672604	278.413	NDDAWBUZWWSMAH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024518
CC1NCCN(C1)C(=O)c1cc2c(s1)CCCCC2	PC-id_65448039,EMOLS-id_301399093,MCULE-6967430441	278.413	KQGVSNZVRXSVEG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024519
CC(C1CC1)CC(=O)N1CCCCc2c1sc(n2)C	MCULE-2320706281,EMOLS-id_320094465	278.413	JDYDCSIMZUKDHK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024520
CCC1(C)CC1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319157017	278.413	QKBIURDBFCZVQK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024521
C=CCC(C(=O)N1CCCc2c(C1)ccs2)N(C)C	MCULE-5812285686,EMOLS-id_320265013	278.413	QLYCYAUTTBHYIO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024522
CCC[C@@H]1C[C@H]1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320054718,MCULE-6107168300	278.413	YVGPDZKALZLDGZ-VXGBXAGGSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024523
C[C@@H]1CNCCN1C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_302686570,PC-id_82705744,MCULE-3829192902	278.413	NDDAWBUZWWSMAH-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024524
C[C@H]1CNCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_82704573,EMOLS-id_302688879,MCULE-1631681857	278.413	NDDAWBUZWWSMAH-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-024525
C[C@@H]1NCCN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_302693705,PC-id_81435813,MCULE-4422685802	278.413	KQGVSNZVRXSVEG-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-024526
C[C@H]1NCCN(C1)C(=O)c1cc2c(s1)CCCCC2	PC-id_81426426,EMOLS-id_301388243,MCULE-3146551067	278.413	KQGVSNZVRXSVEG-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024527
CNC1CCN(C1)C(=O)c1cc2c(s1)CCCCC2	PC-id_81466263,EMOLS-id_302676334,MCULE-2331175319	278.413	YPBLOLQZZWLEMH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024528
CNC1C(=O)N(CCc2c1scc2)CC1CCCC1	PC-id_23554875,SCHEMBL14171076	278.413	SFPPLBXWAPMLFG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024529
CN(C)C(=O)c1cc2CCCCN(CC3CC3)c2s1	EMOLS-id_97027041,MCULE-4706095906	278.413	RELWKFWRGKHTTM-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-024530
CN(C(=O)c1cc2c(s1)CCCCC2)C1CNCC1	MCULE-2260585023,PC-id_63297928,EMOLS-id_301309178	278.413	UBVQMSKWWZZEIQ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024531
NC1CCCN(C1)C(=O)c1cc2c(s1)CCCCC2	MCULE-3327505482,EMOLS-id_301277706,PC-id_61296644	278.413	LHAOQNIHBDZDKE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024532
NC1CCN(C1C)C(=O)c1cc2c(s1)CCCCC2	MCULE-2334098134,EMOLS-id_71277104,PC-id_121685380	278.413	QLWPYYGBTVHJRD-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024533
NC1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	PC-id_43556244,MCULE-9933418693,EMOLS-id_301233278	278.413	VKPZZQIBDXZDLT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024534
Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2	PC-id_20109791,SCHEMBL12057608	278.413	VVUBKLDOTYWXCF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024535
NC(C1CC1)CNC(=O)c1cc2c(s1)CCCCC2	MCULE-7074340166,EMOLS-id_302191122	278.413	RUTRNWLHXWVSRJ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-024536
NCC1CCCN1C(=O)c1cc2c(s1)CCCCC2	MCULE-2862769076,EMOLS-id_301785813,PC-id_81483620	278.413	ZFHAJHHSPHNLIF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024537
NCC1CCN(C1)C(=O)c1cc2c(s1)CCCCC2	PC-id_62069445,MCULE-1574409963,EMOLS-id_301303209	278.413	RVHCIKGQDJHGKB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024538
NCC(C1CC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_65188897,MCULE-9945336243,EMOLS-id_301367339	278.413	JZBYYKIIZWUVIX-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-024539
N[C@@H]1CCCN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_302666615,PC-id_102978527,MCULE-6866631619	278.413	LHAOQNIHBDZDKE-GFCCVEGCSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024540
N[C@H]1CCN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_102695237	278.413	USLQDJOMTJCYKL-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024541
N[C@@H]1CCN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_301527395,MCULE-5073467813,PC-id_119410412	278.413	USLQDJOMTJCYKL-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024542
NC(=O)c1c(NC2CCC2)sc2c1CCCCCC2	PC-id_143029672	278.413	KAVHDVFZLRLRPJ-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-024543
NNC(c1cc2c(s1)CCCCC2)C1=CCCCO1	PC-id_102650238	278.413	CKYATGGUSDZZOW-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-024544
NNC(c1cc2c(s1)CCCCC2)C1=COCCC1	PC-id_105333061	278.413	YEERGLKAZGBGEY-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-024545
O=C(c1cc2c(s1)CCCCC2)N1CCCNCC1	MCULE-5730419559,PC-id_28388263,EMOLS-id_301226594	278.413	OOLQMUPCOKFDPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024546
O=C(c1cc2c(s1)CCCCC2)NC1CCCNC1	MCULE-9449111736,PC-id_63321593,EMOLS-id_301326574	278.413	IWWUFYMWNXLEEY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024547
O=C(c1cc2c(s1)CCCCC2)NC1(C)CNCC1	PC-id_107422684	278.413	SHOWYTIJYUALPG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024548
O=C(c1cc2c(s1)CCCCC2)NC1CCNCC1	PC-id_43345748,EMOLS-id_301265762,MCULE-8277567608	278.413	LTRZCGMELYCDDN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024549
O=C(c1cc2c(s1)CCCCC2)NCC1CCCN1	EMOLS-id_301284302,PC-id_55084864,MCULE-2333444986	278.413	YKVGOSQAIQAODA-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024550
O=C(c1cc2c(s1)CCCCC2)NCC1CNCC1	PC-id_80563148,MCULE-1763980949,EMOLS-id_302686286	278.413	ZKJUJVLNZRVEIB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024551
O=C(c1cc2c(s1)CCCCC2)NCC1(N)CCC1	PC-id_104439752,EMOLS-id_302687075,MCULE-7236375973	278.413	OLFKXXNVTQROFW-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-024552
O=C(c1cc2c(s1)CCCCC2)N[C@H]1CCCNC1	EMOLS-id_302698085,PC-id_103866713,MCULE-1146639785	278.413	IWWUFYMWNXLEEY-LBPRGKRZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024553
O=C(c1cc2c(s1)CCCCC2)N[C@@H]1CCCNC1	PC-id_104645345,MCULE-8715011010,EMOLS-id_302698065	278.413	IWWUFYMWNXLEEY-GFCCVEGCSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024554
O=C(c1sc2c(c1)CCCCCC2)N1CCNCC1	PC-id_119401139,EMOLS-id_301217630,MCULE-7228250269	278.413	WCRIKYFINJWFSU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024555
O=C(c1sc2c(c1)CCCCCC2)NC1CCNC1	MCULE-6141609097,EMOLS-id_301554819,PC-id_119450809	278.413	YLYJRFGWMQGWEJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024556
O=C(c1sc2c(c1)CCCCCC2)NCC1CNC1	PC-id_120115797	278.413	LNNUKYSZNQFPLE-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-024557
O=C(CC1CCCC1)Nc1nc2c(s1)CCCCC2	MCULE-6704755565,PC-id_45864700,EMOLS-id_30242428,ZINC22_40034659	278.413	ZLMVLUCNHYSAKX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024558
O=C(N1CCCc2c(C1)ccs2)C[C@H]1CCCNC1	MCULE-2412447791,EMOLS-id_320106762	278.413	YCENOJBPTZHHSZ-GFCCVEGCSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024559
O=C(N1CCCCc2c1sc(n2)C)C1CC(C1)(C)C	MCULE-7601408563,EMOLS-id_319995739	278.413	XXTMUZFKJXDGCO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024560
O=C(N1CCCCc2c1sc(n2)C)C1CCCCC1	EMOLS-id_319163105	278.413	DOPVCTGNBJTAJF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024561
O=C(N1CCCCc2c1sc(n2)C)C(C1CCC1)C	MCULE-7615544327,EMOLS-id_320154367	278.413	CNGCOWWAQIZHFH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024562
O=C(N1CCCCc2c1sc(n2)C)CC1CCCC1	EMOLS-id_319245872	278.413	SETWWOXVHXQMTK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024563
O=C(N1CCCCc2c1sc(n2)C)CCC1(C)CC1	EMOLS-id_319111798	278.413	NXHHMYFXYFMFOV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024564
s1c2c(CCCCC2)cc1C(=O)N(C1CNC1)CC	PC-id_66183396	278.413	XDMJITWOVWFCJX-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-024565
s1c2c(CCCCC2)cc1C(=O)NC1C(N)CCC1	PC-id_63251594	278.413	ZYSGOYZUDIAIHH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024566
s1c2CCCCCc2cc1C(=O)NCCNC1CC1	PC-id_55100632	278.413	WMEUROMAAPYMIC-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-024567
s1c2c(CCCCC2)c(C(=O)NC2CCCC2)c1N	PC-id_82056750	278.413	AZDWTLSKBVZHTI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024568
s1c2CCCCCc2nc1NC(=O)CC(C1CC1)C	PC-id_56101922	278.413	FNHYKCXYTGKQFV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024569
s1c2c(CCCCCC2)c(C(=O)N2CCCC2)c1N	PC-id_43367344	278.413	MKNWSVQWOPBKKC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024570
s1c2CCCCCCc2nc1NC(=O)C(=CCC)C	PC-id_56060697	278.413	VOGVLAITAPFBCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024571
C=C(CSc1nnc2n1CCCCC2)CNC1CC1	PC-id_103068264	278.416	NUFTYUBLXQRSQX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024572
[NH+]1(CCN(CC1)CCCc1n2CCCCCc2nn1)C	PC-id_52423761	278.416	BTHJTPCHLVQLHH-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-024573
S(c1n2CCCCCc2nn1)CCCC(C)(C)C#N	PC-id_65257659	278.416	JPOHDITZJZUSNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024574
Cc1scc(c1)C(c1cc2c(s1)CCCCC2)O	PC-id_113662406	278.433	CNFWSNGUTXBMLV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-024575
Cc1sccc1C(c1cc2c(s1)CCCCC2)O	PC-id_113743773	278.433	VTYUSIUTHGJSCY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-024576
CCCNC1CCCCc2c1cn(c2)CCCCOC	PC-id_104648728	278.433	GHUDEEOJIQOIFG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024577
CCCOCCn1cc2c(c1)C(CCCC2)NCCC	PC-id_106455371	278.433	GCQPKCWEVJBLKQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024578
CCNC1CCCCc2c1cn(c2)CCC(OC)(C)C	PC-id_103035010	278.433	YWDDHAIZDHQCMX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024579
CCNC1CCCCc2c1cn(c2)CCOCC(C)C	PC-id_106455368	278.433	XACFGCIXMMPYSD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024580
CCNC1CCCCc2c1cn(c2)CCOC(C)(C)C	PC-id_115943234	278.433	WHZDQVGOKBMCMH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024581
COCc1n(nc2c1CCCCCC2)C(CC(C)C)C	SCHEMBL19335042	278.433	KQBOLPICJWKBSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024582
o1nc(c2CCCCCCCCCCc12)CNC(C)C	PC-id_80462148	278.433	BGVAKDUTSIQWQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024583
o1nc(c2CCCCCCCCCCc12)CNCCC	PC-id_80462815	278.433	NKCNVUBXNJYGEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024584
OCCCCCCn1cc2c(c1)CCCCC2NCC	PC-id_107705912	278.433	YBJCFZCDEZGAHS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024585
OCCCCCn1cc2C(NCCC)CCCCc2c1	PC-id_83213006	278.433	LPQXFGMZSNYCAK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024586
O(CCCn1cc2C(NCCC)CCCCc2c1)CC	PC-id_83213007	278.433	LITQBIQTYSMXIL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024587
OC(CCn1cc2C(NCCC)CCCCc2c1)(C)C	PC-id_83213329	278.433	QHZFRUPRKXXGTG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024588
O(CCn1cc2C(NC)CCCCc2c1)CCC(C)C	PC-id_83209096	278.433	FFPDBOKBLGERMM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024589
O(CCn1cc2C(NCC)CCCCc2c1)CCCC	PC-id_83212916	278.433	BZVDGEYJZUUMEF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024590
O(CCn1cc2C(NCCC)CCCCc2c1)C(C)C	PC-id_83212754	278.433	CVFFCEYKYFBDCF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024591
s1c2c(CCCCC2)cc1C(O)c1sccc1C	PC-id_55006538	278.433	ASTZOXNCMYNMAE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-024592
s1c2c(CCCCC2)cc1C(O)c1sc(cc1)C	PC-id_61099130	278.433	XVRVUDLQUFJTDM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-024593
s1c2c(CCCCC2)cc1C(O)Cc1ccsc1	PC-id_55151762	278.433	BRFRRQUKDFPGAS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-024594
s1c2c(CCCCC2)cc1C(O)Cc1sccc1	PC-id_63017865	278.433	UFJKVXZWVNPESR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-024595
C[C@@H]1Sc2sc(=O)sc2SC(C)(C)C1=O	CoCoCo_126055,ZINC22_66388,PC-id_693874	278.434	WFQCCVCOFCCMMN-BYPYZUCNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024596
C[C@H]1Sc2sc(=O)sc2SC(C)(C)C1=O	ZINC22_66390,PC-id_693875,CoCoCo_126054	278.434	WFQCCVCOFCCMMN-SCSAIBSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024597
c12SC(C)(C)C(=O)C(C)Sc1sc(=O)s2	CK1982794,TIMTEC521723,PC-id_3117132,MCULE-3465454976	278.435	WFQCCVCOFCCMMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024598
CC(CC(Cc1ncc2n1CCC(N(C2)C)C)(N)C)C	SCHEMBL18947718	278.436	QENVTTVBTJWYGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024599
CC(CNC(C)(C)C)NCc1n[nH]c2c1CCCCC2	PC-id_104397062	278.436	VNTKKLNXVHHBLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024600
CC(CNCCCNCc1n[nH]c2c1CCCCC2)C	PC-id_104424260	278.436	HCMQEIUWXAPFDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024601
CC(CNCCN(Cc1n[nH]c2c1CCCCC2)C)C	PC-id_104414358	278.436	LFLCEQVCFCIWJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024602
CC(NCc1n[nH]c2c1CCCCC2)CNCC(C)C	PC-id_104397448	278.436	LXWJVVZUWAFSOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024603
CC(NCCCNCc1n[nH]c2c1CCCCC2)(C)C	PC-id_104423900	278.436	NCFUEEZEXIMGPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024604
CCN(CCCNCc1n[nH]c2c1CCCCC2)CC	PC-id_104433428	278.436	GSYCFOVUISHEJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024605
CCN(CC(NCc1n[nH]c2c1CCCCC2)C)CC	PC-id_104406981	278.436	WSOFVYLKSFLIOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024606
CNC1CCN(C1)Sc1cc2c(s1)C=CC=CC2	PC-id_143369341	278.436	CJYAKYZZQRSIIS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024607
CN(Cc1n[nH]c2c1CCCCC2)CCNC(C)(C)C	PC-id_104414105	278.436	VBAUFTUXXIXAEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024608
n12CCCCCc1nnc2C(NC(CCCCC)C)C	PC-id_43746911	278.436	DSCJOACSSRUFSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024609
n12CCCCCc1nnc2C(NC(CCC(C)C)C)C	PC-id_43746938	278.436	PFMZLNOIJQEYSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024610
n12CCCCCc1nnc2C(NCCCCCCC)C	PC-id_43746942	278.436	NDLFWJDZYYZSGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024611
n12CCCCCc1nnc2C(NC(CCC)CCC)C	PC-id_43746947	278.436	NNQKAHFCAHSDNA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024612
n12CCCCCc1nnc2C(NC(CCCC)CC)C	PC-id_63944565	278.436	AALGIFJUAITBOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024613
n12c(nnc1CCCCC2)CCC(C(C)(C)C)CCN	PC-id_64358748	278.436	SVBQJHFMLOXNJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024614
NC(c1cc2c(s1)CCCCC2)Cc1cncs1	PC-id_105030775	278.436	RIMBWUYAZPEWAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024615
NC(c1cc2c(s1)CCCCC2)Cc1nccs1	PC-id_105015337	278.436	SSNUSKYLCFLJKQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024616
NNC(c1cccs1)c1cc2c(s1)CCCCC2	PC-id_105287481	278.436	RPSMFWHFXDGMIO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-024617
NNC(c1cscc1)c1cc2c(s1)CCCCC2	PC-id_105311929	278.436	HUTLDGOAJKPSTK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-024618
s1c2CCCCCc2nc1C(N)Cc1sccc1	PC-id_83348933	278.436	YLLPKMVVLYBMED-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-024619
CC1CCC(CC1)C(c1cc2c(s1)CCCCC2)O	PC-id_115805346	278.453	NCWVKKJGMNHOJY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024620
CC1CCCC(C1)C(c1cc2c(s1)CCCCC2)O	PC-id_115808343	278.453	QTMNLPWOBWOPFZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024621
C=CCCCCCC(c1cc2c(s1)CCCCC2)O	PC-id_107012143	278.453	LBLNBANWSRFXRL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024622
CCCCCCCC(=O)c1cc2c(s1)CCCCC2	PC-id_114966531	278.453	XQVXALIUZOKTNS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024623
CC(C(=O)C(c1scc2c1CCCCCC2)(C)C)C	PC-id_101181412	278.453	IHPQYJXJJKORNC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024624
OC(c1cc2c(s1)CCCCC2)C1CCCCCC1	PC-id_115829513	278.453	WDWIXILDEHHVTC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024625
OC(c1cc2c(s1)CCCCC2)CC1CCCCC1	PC-id_115786226	278.453	BHZLSALGYBJCIF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024626
O=C(c1cc2c(s1)CCCCC2)CCCC(C)(C)C	PC-id_114210793	278.453	IYHBRVRKFICULW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024627
C1CCc2c(CC1)cc(s2)CNCCN1CCCC1	PC-id_104385078	278.456	XEHSRZOYSYJCCA-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024628
Cc1nc2c(s1)CCN(CC2)CCC1CCCCC1	PC-id_145451872	278.456	ODTKOTVYXAFUOC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024629
C(CNC1CC1)CNCc1cc2c(s1)CCCCC2	PC-id_104423670	278.456	PYFDSCHNMVQUSO-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-024630
CC(NCc1cc2c(s1)CCCCC2)CNC1CC1	PC-id_104396712	278.456	YVPCJWSDQAZNQD-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-024631
CN(Cc1cc2c(s1)CCCCC2)CCNC1CC1	PC-id_104413866	278.456	NEFAHLZFUYAQRG-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-024632
NNC(c1cc2c(s1)CCCCC2)C1CCCCC1	PC-id_105281980	278.456	XLQNEOGCDSJNSO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024633
NNC(c1cc2c(s1)CCCCC2)CC1CCCC1	PC-id_113700856	278.456	LCNHGAVHNWQTTQ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024634
s1c(nc2c1CCCCC2)CC1(CCCCC1)CN	PC-id_83348942	278.456	CHBAGVVQTFXIDV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024635
s1c(nc2c1CCCCCC2)[C@@H](N)C1CCCCC1	PC-id_83348945	278.456	IZWQFCYTBJDBNN-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024636
s1c(NC2CC2)nc2c1CCCCCCCCCC2	PC-id_63471092	278.456	OHUKTSWNNILOON-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-024637
CC(c1sc(c2c1CCCCCC2)C(C)(C)C)(C)C	PC-id_144799887	278.496	NHXVOASDGYDZEV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024638
S1CC(=C(CSc2sc(=S)sc12)C)C	PC-id_86192668	278.501	VNIAHSKIXKMYPQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024639
CN1C(=O)C(Br)CCn2c1c(Cl)nc2	PC-id_142742589	278.534	FWRSKCGORXQWQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024640
O=C1CCCn2c(N1C)c(Cl)nc2Br	SCHEMBL18366999	278.534	RKMRXZAQOIKSGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024641
O=C1CCCn2c(N1C)nc(c2Cl)Br	SCHEMBL18366919	278.534	VISBVMZEGPVUOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024642
ClCC=CCOc1cc2c(CC)coc2ccc1=O	PC-id_85918428	278.731	GIMBWUZSOLGNBV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-024643
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]cc(c1)Cl	EMOLS-id_318886002	278.737	UQLOFTICONUVSH-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-024644
Clc1ccccc1OCc1nnc2CCNCCn12	ZINC22_2356134498,EMOLS-id_337730295,MCULE-1686170525	278.737	PMZMGSPLJUVMQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024645
Clc1cncc(n1)NCc1nnc2n1CCCCC2	EMOLS-id_318437634,MCULE-6433626867	278.741	WGAARYYMZIQDPK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-024646
Clc1cncnc1NCc1nnc2n1CCCCC2	MCULE-2397677636,EMOLS-id_318290685	278.741	AZMMSNKZDWSBGU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-024647
Clc1n(nc2CCCCCc12)Cc1ccc(F)cc1	PC-id_66016101	278.752	CRQPTBRGEWUOGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024648
Clc1n(nc2CCCCCc12)Cc1cc(F)ccc1	PC-id_66014700	278.752	AKQFEOMFTHQOGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024649
Clc1c2-c(c(c1)C)ccccc2C=Cc1ccccc1	PC-id_85674337	278.775	GBFCGXDVLMFTNY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-024650
Clc1n(c(nc1)Cn1cc2C(N)CCCCc2c1)C	PC-id_83208049	278.78	CYMUBOWSECBHPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024651
C1CN(CCc2c1nc(s2)Cl)Cc1ccccc1	SCHEMBL15001603,PC-id_89607577	278.8	YRIMSPHODPRMRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024652
Clc1ccc(Cc2sc3CCCCNc3n2)cc1	PC-id_28904014	278.8	QWQXHXVBCXLDNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024653
Clc1ccnc(c1)CN1CCCc2c(C1)ccs2	EMOLS-id_318846168	278.8	AIGMUQBVONTGQB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-024654
C1=CI=C=CC2=NC(=NN21)Cl	PC-id_147571684	278.906	FUQQEEJGUWPALY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024655
C1=C[I]=C=Cc2nnc(n12)Cl	PC-id_163816084	278.906	NRLKMIYJCYUTOY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024656
Ic1ccc2-c(ccc2C#N)cc1	PC-id_10540602	279.077	LIVIQNWFFQAPCU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024657
CC1=NC=C(S1)CN2CCC3=C(CC2)SC(=N3)C	PC-id_165013618	279.086	KBNCHRSTOIGCGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024658
Brc1c2-c(c(c1C)C(=O)OC)ccccc2	PC-id_11231284	279.129	QEVPJSGHBLGGBR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024659
BrCc1c2-c(c(cc2)C(=O)OC)cccc1	PC-id_71344198	279.129	VKOCBRIWTZEKNW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024660
CCOC(=O)c1cccc2-c(c1)ccc2Br	SCHEMBL17399043,PC-id_118629152	279.129	IUCVBJHSHVTMTF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024662
O=C(OCC)c1cc(Br)c2-c1ccccc2	CNP0284413,PC-id_12947895	279.129	MJBHSARKFNODNW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-024663
C1CCC(CC1)C(=O)N2CCC3=C(CC2)SC(=N3)N	PC-id_153741290	279.141	HKRLXMIBYNVBJJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024664
Ic1nc2c(s1)CCCCC2	SCHEMBL2747663,PC-id_67520443	279.141	ZSMTYTGFOXSUDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024665
Ic1sc2CCNCCc2c1	PC-id_72213193	279.141	BWEUFQURBMXRSV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024666
IN1CCc2c(CC1)ccs2	PC-id_142889906	279.141	CAKLLGJHMQUYMM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024667
O[N+](=O)N1CN([N+](=O)O)c2c(N(C1)[N+](=O)O)non2	PC-id_101921975	279.148	WHMXAPIZCRHLHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024668
Cn1nc2c(c1Br)CCS(=O)(=O)CC2	PC-id_105521134	279.154	HCZUQZDHQLEBGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024669
Cn1nc(c2c1CCS(=O)(=O)CC2)Br	PC-id_105521133	279.154	ZEACQYLOBOLSBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024670
CC(C)C1=NN=C2N1[C@@H](CCCC2)C(=O)NCC(=O)N	PC-id_164640172	279.17	GXGBVKQMDWRCEH-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-024671
CCn1c2c(CCCCCC2OCC(=O)C(C)C)nn1	PC-id_163619677	279.195	HNAMLFMZIYJKLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024672
O=C1C(CCCc2n(cc(c12)C(=O)O)C(=O)O)C(=O)C	PC-id_22318871	279.245	KPUKTBPEKZUWED-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024673
c12N=C(O)CSC(C(F)(F)F)c1cnn2C(C)C	PC-id_135634596,EMOLS-id_44215409,STOCK7S-36121,EMOLS-id_44238908,MCULE-7402381006	279.282	QGSBCYPYPSUXJP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024674
CC(C)n1ncc2c1N=C(O)CS[C@@H]2C(F)(F)F	PC-id_136669930,ZINC22_79502167	279.282	QGSBCYPYPSUXJP-QMMMGPOBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024675
CC(C)n1ncc2c1N=C(O)CS[C@H]2C(F)(F)F	ZINC22_79502165,PC-id_136669929	279.282	QGSBCYPYPSUXJP-MRVPVSSYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024676
Cn1c2c(C=NC(CO2)CSC)c(n1)C(F)(F)F	PC-id_136589774,EMOLS-id_316182642	279.282	OEAOCFJLGNRFQG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024677
Fc1cc(OC2CCN(Cc3occc23)C)ccc1F	PC-id_68410809	279.282	NDEOWWBHICXQOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-024678
Fc1c(OC2CCN(Cc3occc23)C)cccc1F	PC-id_68413268	279.282	ABYNNNGLDGAUQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-024679
Fc1c(OC2CCN(Cc3occc23)C)ccc(F)c1	PC-id_68410615	279.282	XESWHSBSTJOHMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-024680
Fc1cc(F)cc(Cn2nc3CCCCCn3c2=O)c1	EMOLS-id_48461803,PC-id_110876297,MCULE-3002005849	279.285	OPPHPTNTBFRTGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-024681
FC(F)n1c(ncc1)Cn1cc2CCCCC(=O)c2c1	PC-id_83205875	279.285	STBVRYDTTFQKHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024682
CC1(COC(=O)c2cc3c(o2)CCCNC3=O)COC1	ZINC22_1875287685	279.288	UVHIZZNDROUWTL-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-024683
o1nc(c2c1c(=O)cccc2)C=Cc1cc(OC)ccc1	PC-id_5080319	279.29	KNSLKZJSJFGJHO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-024684
o1nc(c2c1c(=O)cccc2)/C=C/c1cc(OC)ccc1	PC-id_6264868	279.29	KNSLKZJSJFGJHO-MDZDMXLPSA-N	00000000100000110111000000000010000000000000000000000000	31-01-024685
o1nc(c2c1c(=O)cccc2)C=Cc1c(OC)cccc1	PC-id_3657132	279.29	DWFRNSFECHLUOM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-024686
o1nc(c2c1c(=O)cccc2)/C=C/c1c(OC)cccc1	PC-id_5887506	279.29	DWFRNSFECHLUOM-ZHACJKMWSA-N	00000000100000110111000000000010000000000000000000000000	31-01-024687
c12C(=O)N(CCCn1nc(C(=O)O)c2)CC1CCCO1	EMOLS-id_49189827,MCULE-9281049953,PC-id_102549274	279.292	KQOQLXMMKHXQPT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024688
O=C(O)c1cc2n(n1)CCCN(C[C@@H]1CCCO1)C2=O	PC-id_97619916,ZINC22_96516665	279.292	KQOQLXMMKHXQPT-VIFPVBQESA-N	00000010100000000101000000000010000000000000000000000000	31-01-024689
O=C(O)c1cc2n(n1)CCCN(C[C@H]1CCCO1)C2=O	PC-id_97619917,ZINC22_96516667	279.292	KQOQLXMMKHXQPT-SECBINFHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024690
Cc1ncnc(c1N=Cc1c(=O)[nH]c2-c1ccccc2)N	PC-id_144080643	279.297	XOVQPMQROAYWJM-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-024691
CC1=Nn2cnnc2N(C(=O)C1(CC#C)CC#C)CC#C	2223240_OpenMolecule,CT-id_2223240,PC-id_91005263	279.297	WRHYPEIEJDTFCW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024692
O(c1ccc(/N=N/c2ccc3-c(nc(n3)N)cc2)cc1)C	PC-id_85835084	279.297	BUBXXKAXIZMUKD-FMQUCBEESA-N	00000010100000110111000000000010000000000000000000000000	31-01-024693
S1C(=Cc2c(cn(c2)C)C=C1C(=O)OC)C(=O)OC	PC-id_13211062	279.312	MBLDXJRJUMCSSD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-024694
S(c1n2CCCCCc2nn1)c1oc(cc1)C(=O)O	PC-id_62204260	279.315	RXNYVDDMBPOVGZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-024695
C1CCc2c(CC1)sc(n2)NC(=O)c1n[nH]c(=O)[nH]1	PC-id_136908391	279.318	BICQUDBLOMAYBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024696
Cn1nc2CCN(CCn2c1=O)C(=O)c1cscn1	EMOLS-id_50590131,MCULE-9203752127,PC-id_91910713	279.318	ZQBITAOYHIBSKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024697
CNC1C(=O)N(CCc2c1ocn2)Cc1ncsn1	PC-id_23554475,SCHEMBL14172353	279.318	IUHCEJLLEZITCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024698
CNC1C(=O)N(CCc2c1ocn2)Cc1nncs1	SCHEMBL14172393,PC-id_23554483	279.318	ALLFELPYQUSNLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024699
CNC1C(=O)N(CCc2c1scn2)Cc1ncon1	PC-id_23554473,SCHEMBL14172296	279.318	PYWGNTDSUKQLAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024700
CNC1C(=O)N(CCc2c1scn2)Cc1nnco1	PC-id_23554481,SCHEMBL14172332	279.318	YMZYPRGJECCUAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024701
n12CCC(CCc1n[nH]c2=O)NC(=O)c1cscn1	MCULE-5457610646,EMOLS-id_97080989	279.318	OSRZOQSHMLMDEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024702
OC(=O)c1csc(n1)CN1CCCn2c(C1)cnn2	MCULE-6064250357,EMOLS-id_316321683	279.318	GIJBQGFAXRZFTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024703
OC1CCCCc2c1cn(c2)CCSC(F)(F)F	PC-id_113544085,EMOLS-id_315122253	279.322	UBUUTGBNDDZIAV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024704
O=C(Nc1nccs1)NC1CCn2c(CC1)nnn2	EMOLS-id_102025348	279.322	FKSUFEAROPLBNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024705
Cc1c2c(n[nH]1)CCC=CC2=NC1CCC(CC1)(F)F	PC-id_136644935	279.328	QJYPLDQYGBBUSE-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-024706
CCCCOC(=O)C1CCCCn2c1c(cc2)C(=O)O	PC-id_20484150,SCHEMBL11197402	279.332	VCGQVZVVEPCJTB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024707
CCOC(=O)C1CCCCn2c1c(cc2)C(=O)OCC	SCHEMBL11201215,PC-id_70536042	279.332	SPOAVEILTANMSN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024708
CC(OC(=O)C1CCCCn2c1c(C(=O)O)c(c2)C)C	SCHEMBL11193133,PC-id_20483970	279.332	QRQIWMDJTXNKSO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024709
o1nc(OC(C)C)c2C(=CC(=O)OCC)CCCCc12	PC-id_10858849	279.332	AWURRFFLRVEOBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024710
o1nc(OC(C)C)c2/C(=C/C(=O)OCC)/CCCCc12	PC-id_10945798	279.332	AWURRFFLRVEOBG-PKNBQFBNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024711
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(O)CCOCC1	EMOLS-id_319579657	279.335	MGXFMWXAEMNECV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024712
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1OCCCO1	MCULE-4947613499,EMOLS-id_320024799	279.335	IPEHYYKMAOJILN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024713
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1(O)COCC1	EMOLS-id_318831657	279.335	GLBBJFUDMULJOY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024714
CCN(C(=O)O)CCN1CCCc2c(C1=O)c(C)c[nH]2	PC-id_140167840	279.335	JILRSQIFYLUKIE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024715
CCOC(=O)CN(C)C(=O)c1n[nH]c2CCCCCc12	MCULE-8894459159,EMOLS-id_334729164	279.335	UBGIXVFGYMNDNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024716
CNC1C(=O)N(CCc2c1ocn2)CC1CCCCO1	PC-id_23554623,SCHEMBL14171238	279.335	HRUDGMKXEBBHCX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024717
CNC1C(=O)N(CCc2c1ocn2)CC1CCCOC1	PC-id_23554627,SCHEMBL14171264	279.335	HMSQTTOTZKAZSM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024718
CNC1C(=O)N(CCc2c1ocn2)CC1CCOCC1	SCHEMBL14171252,PC-id_23554631	279.335	GNLXQGNMVLQSDK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024719
COc1nn(C)c2c1CCN(C(=O)C1CC(O)C1)CC2	ZINC22_1565554201,EMOLS-id_313850926	279.335	UARVWCOXUOBDLH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024720
COCCN(C(=O)c1nn(c2c1CCCCC2=O)C)C	SCHEMBL17751319,PC-id_121336424	279.335	GDGGGGVMLGIMLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024721
COC(=O)CCCNC(=O)c1c2c(CCCCC2)[nH]n1	EMOLS-id_323252664,MCULE-3525705104	279.335	HULDTDKRNACGMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024722
COC(=O)/C=CSc1nc2c(s1)c(=O)cccc2	PC-id_102069925	279.335	OSNWVZFSFOWUFM-SREVYHEPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024723
NC(=O)CCCCNC(=O)c1noc2c1CCCCC2	PC-id_99703424,MCULE-7981251616,EMOLS-id_53781719,ZINC22_157243113	279.335	JKFSNFHVWMHNKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024724
NC(=O)N[C@H](C(=O)N1CCCc2c(C1)cco2)C(C)C	MCULE-5869464201,EMOLS-id_320243520	279.335	JHSNJHRVXBMJJQ-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024725
O=c1n2CCCCCc2nn1C/C=C(CC)/C(=O)OC	PC-id_65819996	279.335	LYIXJVAGCXZPIE-DHZHZOJOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024726
O=c1n2CCCCCc2nn1CC=C(CC)C(=O)OC	PC-id_77100731	279.335	LYIXJVAGCXZPIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024727
O=C(c1noc2c1CCCCC2)NCC1OCCNC1	EMOLS-id_102110867	279.335	GBYLSDVGFOACME-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024728
O=C(C1(O)COC1)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_318850441	279.335	AAPABAYIUMHIIL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024729
O(C(C)(C)C)C(=O)N1CCc2c(nn(c2C=O)C)CC1	PC-id_83866819	279.335	IHDZRXWONPZQOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024730
O(C(C)(C)C)C(=O)N1CCc2n(nc(c2CC1)C=O)C	PC-id_83866827	279.335	GMFZJJARTOWSGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024731
O=CCCC(=O)OC1CCCc2c(CC1)n(CC)nn2	SCHEMBL19268149	279.335	QUTSNHXGFNCCSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024732
O[C@@H]1CC(C[C@@H]1O)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_318813674	279.335	DHHUOYSKVZCEAS-FOGGPMGISA-N	00000010100000000101000000000010000000000000000000000000	31-01-024733
O[C@@H]1C[C@@H](C[C@@H]1O)NC(=O)c1cnc2n1CCCCC2	MCULE-5662695641,EMOLS-id_320060579	279.335	CTMIFWOHXSESPU-YHPBZONMSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024734
O[C@@H]1C[C@@H](C[C@@H]1O)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_318901039	279.335	DHHUOYSKVZCEAS-ZSPDNNCOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024735
c12CCCCCn1c(C(=O)c1ccccc1)c(N)c2C#N	TIMTEC336309,PC-id_24020919,ZINC22_5772713,MCULE-1690775168,EMOLS-id_25582603	279.336	NMVZKDYVKBBPTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-024736
O=C1c2c(CCCC1)cn(c2)Cc1nc2n(c1)cccc2	PC-id_83207256	279.336	ZLTIAKXCTZWMTA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-024737
O=c1c2n(nc(c2cccc1)C)CNc1c(cccc1)C	PC-id_9970842	279.336	RCRPSHPEIOEYTP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-024738
c12C(=O)N(CCN(C)C)CC(=O)Nc1c(nn2C)CC	MCULE-4553799506,PC-id_122571056,EMOLS-id_177495631,ZINC22_534669377	279.338	UCMPTNKSQKALAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024739
c12nnnn1CCCCC2C(=O)N1CCOC(C)(C)C1	EMOLS-id_177399921,MCULE-6830288403	279.338	NTPJRKDTTYVWFS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024740
CC1CC(C(O1)C)NC(=O)C1CCn2c(CC1)nnn2	EMOLS-id_319898542,MCULE-3113410724	279.338	KQVGRDNZGJPQLW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024741
CC1(C)CN(C(=O)[C@H]2CCCCn3nnnc23)CCO1	ZINC22_584889679	279.338	NTPJRKDTTYVWFS-JTQLQIEISA-N	00000000100010000101000000000010000000000000000000000000	31-01-024742
CC1(C)CN(C(=O)[C@@H]2CCCCn3nnnc23)CCO1	ZINC22_584889680	279.338	NTPJRKDTTYVWFS-SNVBAGLBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024743
CC(C)c1nnc2CCCCC(C(=O)NCC(=O)N)n12	EMOLS-id_96055993,MCULE-6422136500	279.338	GXGBVKQMDWRCEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024744
CCC(=O)N1CCn2nnc(c2)CN(CC1)C(=O)CC	SCHEMBL14927149,PC-id_89549888	279.338	LPKUACMPWNMLST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024745
CCOC1CC(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102176531	279.338	ZBBRZACERJOOAU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-024746
CN1CCNC(=O)CCCc2cn(CCCC1=O)nn2	ZINC22_1704322879,PC-id_135109483,MCULE-1373612827,EMOLS-id_317345942	279.338	RFRLOMQBBWQMBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024747
CNC(=O)NCCNC(=O)c1cnc2n1CCCCC2	EMOLS-id_316541046	279.338	JLLBBILTDASNPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024748
n12CCNCCc1nnc2CCNC(=O)C1CCCO1	MCULE-2759112525,EMOLS-id_68932008,PC-id_118760287	279.338	ZLZASXBVAKVENT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024749
s1c2CCCC(=O)N(c2cc1)C/C=C(C)/C(=O)OC	PC-id_65649655	279.355	BVQMHTFDJSHGTN-UXBLZVDNSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024772
n12CCN(CCc1n[nH]c2=O)C(=O)NC1CCCCC1	MCULE-8063417911,PC-id_110197869,EMOLS-id_49731311	279.338	TYZVTSVZKQTWGX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024750
NC(=O)C1COCCN1Cc1nnc2n1CCCCC2	EMOLS-id_110679729	279.338	NLSKEOREJICNNP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024751
NC(=O)C1OCCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_110955459	279.338	YUXNRPOYQXIQBW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024752
OC1CN(C(C1)(C)C)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_319452237	279.338	STCOICUQCHQSPC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024753
O=C1C(N)CCn2c(N1C)cc(n2)CN1CCOCC1	SCHEMBL19658976	279.338	UDWHYZPAKYIFAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024754
O=C(C1(O)CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102182511	279.338	PNIAERUCRYDZGJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-024755
O=C(C[C@@H]1CCC[C@H]1O)NC1CCn2c(CC1)nnn2	EMOLS-id_320002228,MCULE-5443237216	279.338	SEWPZBCSEHVLLA-KHUXNXPUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024756
O=C(COCc1nnn2c1CNCCC2)N1CCCC1	PC-id_97405228,EMOLS-id_46181811,ZINC22_96084401	279.338	OZFPVFKEYSXPKM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024757
OCC(=O)N1CCCn2c(CN3CCCC3)nnc2C1	ZINC22_96259716,PC-id_97519798,EMOLS-id_44370978	279.338	ZVSIPESPOSZNOR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024758
O=C(NCCc1n2CCCCCc2nn1)CNC(=O)C	PC-id_60389588	279.338	ABWWSYHDUJVGRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024759
O=C(NCCc1nnc2n1CCNCC2)[C@@H]1CCCO1	ZINC22_299802576	279.338	ZLZASXBVAKVENT-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-024760
O=C(NCCc1nnc2n1CCNCC2)[C@H]1CCCO1	ZINC22_299802577	279.338	ZLZASXBVAKVENT-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024761
[O-][N+](=O)/C(=C/C=C/c1nc2=CCN=CC=c2s1)/S	PC-id_143409944	279.338	XODFBDLOHOBCFG-YUTSCENRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-024762
c1(NC(=O)C2CC2)sc2c(CCCCC2)c1C(=O)O	PC-id_28860366,MCULE-9731303832	279.355	GRBXBLZMUWQVGW-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-024763
C=CCC1(COCCC#N)COc2c(OC1)csc2	PC-id_69582652,SCHEMBL5823484	279.355	RLJOGMLVLJGYFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024764
O=C1CC=C(c2c(N1)ccs2)C(C(C)(C)C)C(=O)O	PC-id_17958937,SCHEMBL5029854	279.355	MEMIGRYLOUDBFC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-024765
O=C(c1cc2c(s1)CCCCC2)NC1(CC1)C(=O)O	MCULE-1587412758,EMOLS-id_51865822,PC-id_65451009	279.355	BUVIPGUWRZCFTF-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-024766
O=C(C1COCC1)CN1C(=O)CCCc2c1ccs2	PC-id_104751430	279.355	FSUBTKOMDBDFHZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024767
s1c2c(CCCCC2)cc1C(=O)N1CC(C1)C(=O)O	PC-id_64260246	279.355	LJSIWQQJHIYMIZ-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-024768
s1c2c(CCCCC2)c(c1NC(=O)C=C)C(=O)OC	PC-id_43616665	279.355	LFLFCKWQELHFOD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024769
s1c2CCCC(=O)N(c2cc1)C/C=C(CC)/C(=O)O	PC-id_65822066	279.355	UXXJCLGADXVNBF-UXBLZVDNSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024770
s1c2CCCC(=O)N(c2cc1)CC=C(CC)C(=O)O	PC-id_77101850	279.355	UXXJCLGADXVNBF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024771
s1c2CCCC(=O)N(c2cc1)CC=C(C)C(=O)OC	PC-id_77075157	279.355	BVQMHTFDJSHGTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024773
s1c2CCCC(=O)N(c2cc1)CC(=C)C(=O)OCC	PC-id_64115238	279.355	KPLWGFVIISSJOW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024774
s1c2CCCC(=O)N(c2cc1)C/C=C/C(=O)OCC	PC-id_80546356	279.355	SUPNHFVTNPAASH-QPJJXVBHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024775
c12C(=O)NCCCc1nc(NC(=O)C1CCCC1)s2	MCULE-6901180673,EMOLS-id_50139191,PC-id_72719972,ZINC22_211128687	279.358	IQLMYKWRCOVSBQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024776
CCc1nc(Cn2c3c(sc2=O)CCCCC3)no1	PC-id_72015596,EMOLS-id_316835151,MCULE-4963410004,ZINC22_98010015	279.358	DRMNURFBLNNLAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024777
CNC1C(=O)N(CCc2c1occ2)CC1=CNCS1	PC-id_141978842	279.358	DQHZWXLYDCWGDA-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-024778
CNC1C(=O)N(CCc2c1occ2)CC1CSC=N1	SCHEMBL14178814,PC-id_71094731	279.358	KGAFNMUBFQPNKR-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-024779
CNC1C(O)N(CCc2c1occ2)Cc1nccs1	PC-id_141978890	279.358	WAOGVXYKDHEKFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024780
CNC1C(=O)N(CCc2c1ocn2)CC1C=CSC1	PC-id_71094722,SCHEMBL14178794	279.358	FLZUGIZIFCXMEZ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-024781
O=C1CCC(N1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-2136632708,EMOLS-id_319875522	279.358	DQXSUHGOYCJZIG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024782
O=C1NCC(C1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-6844766810,EMOLS-id_320270799	279.358	UUCKRBJFURBTMA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-024783
c12CN(CCCn1nc(CO)c2)Cc1sc(nn1)C	EMOLS-id_55628408,MCULE-5624748029,PC-id_91769054	279.361	BRWKFBJDZAZWNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024784
Cc1nnn2c1COC[C@@H](CNCc1nccs1)C2	PC-id_97469382,ZINC22_96199309	279.361	QBCFREARWJOXAB-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-024785
Cc1nnn2c1COC[C@H](CNCc1nccs1)C2	PC-id_97469383,ZINC22_96199310	279.361	QBCFREARWJOXAB-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024786
Cc1nnn2CC(CNCc3nccs3)COCc12	PC-id_118744800,CHEMBL3551227,EMOLS-id_44332539	279.361	QBCFREARWJOXAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024787
n12CCN(CCc1nn(C)c2=O)Cc1scnc1C	MCULE-2748991276,PC-id_110197885,EMOLS-id_96925771	279.361	QYCTZIBMHNJVJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024788
OCc1nnn2c1CN(CCC2)Cc1csc(n1)C	PC-id_97405156	279.361	BLEIOSVASJSZSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024789
S(c1n2CCCCCc2nn1)CC(=O)NCCC#N	PC-id_7876736	279.361	OQTLBGMBVJYXKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024790
Nc1nnc(n1C)SCc1nnc2n1CCCCC2	EMOLS-id_111778303	279.365	FDHNQTIVSZJCOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024791
CCOC(=O)c1onc2c1CCCCCCCCCC2	PC-id_101416853	279.375	YDTQRAOFEMDQHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024792
CC1=Cc2ccc(n2CC(C1)(C)C)C(=O)c1ccccc1	PC-id_101173863	279.376	CBUIAJRBAJRIAV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-024793
CC(c1ccc2-c1ccccc2)NCCCc1ccco1	PC-id_68817140,SCHEMBL3859968	279.376	LOKKQHYWOUZNEJ-UHFFFAOYSA-N	00000010101000000110000000000010000000000000000000000000	31-01-024794
CC(c1ccc2-c1ccccc2)NCCCc1ccoc1	PC-id_68816837,SCHEMBL3859258	279.376	ZGMQHHSDPULKGN-UHFFFAOYSA-N	00000010101000000110000000000010000000000000000000000000	31-01-024795
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S=c1n(nc2n1CCCCC2)C[N@H+]1C[C@@H]2C[C@H]1CC2	GD-id_ZINC48835497	279.424	OFIYXZDVVBZGAI-NWDGAFQWSA-O	00000010100010000101000000000110000000000000000000000000	31-01-024993
Cc1[n+]2CCCCCCCCOC[C@H](n1cc2)C(C)C	PC-id_101415593	279.441	LIMUMMPZKLMINW-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024994
Cc1[n+]2CCCCCCCCOCC(n1cc2)C(C)C	PC-id_102331830	279.441	LIMUMMPZKLMINW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-024995
CCC(CNC(=O)c1cc2c(s1)CCCCC2)CC	PC-id_116374487	279.441	UUKMWAMIBGFQEB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-024996
CCNC(c1cc2c(s1)CCCCC2)C1COCC1	PC-id_115856388	279.441	GYNMYPKIWJOGTR-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-024997
CNC(c1cc2c(s1)CCCCC2)C1CCCOC1	PC-id_107138927	279.441	KUIYLGBBQQHPFZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024998
CNC(c1cc2c(s1)CCCCC2)C1CCOCC1	PC-id_115855954	279.441	CSBDDIBFTYEUQN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-024999
NC(c1cc2c(s1)CCCCC2)CC1CCOCC1	PC-id_115847060	279.441	JOGPXOSRRPAFJJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-025000
NC(c1cc2c(s1)CCCCC2)CCC1CCCO1	PC-id_104993812	279.441	UGCINMHCVXELJO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-025001
s1c2c(CCCCCCCCCC2)c(c1N)C(=O)C	PC-id_65355081	279.441	IHPGTXSNXACGSE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025002
s1c2C(C(NC(C(=O)c2c(c1C)C)(C)C)(C)C)(C)C	PC-id_18719733	279.441	OSWWCULYFFCMQY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025003
s1c(nc2c1CCCCC2)C(N1CCNCC1)CC	PC-id_63342173	279.444	WHIYMVKMTXFYQN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025004
s1c(nc2c1CCCCC2)C(N1CCNCC1)(C)C	PC-id_63342302	279.444	LHKUJYQLPPZTPB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025005
s1c(nc2c1CCCCCC2)C(N1CCNCC1)C	PC-id_63342336	279.444	OJJJKASIBRUKAI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025006
CCC(CC(c1cc2c(s1)CCCCC2)NC)CC	PC-id_105028308	279.484	WCNGPWBKRLMHPA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025007
CCCC(C(c1cc2c(s1)CCCCC2)NCC)C	PC-id_107893908	279.484	JULZSJBUDFWTKW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025008
CCCCC(c1cc2c(s1)CCCCC2)NCCC	PC-id_115832731	279.484	OXCNNAJBOAOECV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025009
CCCCCC(c1cc2c(s1)CCCCC2)NCC	PC-id_115836966	279.484	SBDVPUCSMGMVNX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025010
CCCC(CC(c1cc2c(s1)CCCCC2)NC)C	PC-id_115845568	279.484	XXMBYAGDIWAIBI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025011
CCCCCCC(c1cc2c(s1)CCCCC2)NC	PC-id_115833589	279.484	COGAVBJZUOAXCF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025012
CCCCCCCC(c1cc2c(s1)CCCCC2)N	PC-id_115832475	279.484	CNSURBVOXBRGOK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025013
CCCNC(c1cc2c(s1)CCCCC2)C(CC)C	PC-id_105017359	279.484	PEWSRPWZCAXIJJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025014
CCCNC(c1cc2c(s1)CCCCC2)CC(C)C	PC-id_115782218	279.484	LQCUGQBWTUGSQL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025015
CCCNC(C(C)(C)C)c1cc2c(s1)CCCCC2	PC-id_115854264	279.484	KPTLPQHAKGBGEH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025016
CCNC(c1cc2c(s1)CCCCC2)C(CC)CC	PC-id_105013720	279.484	ZKRVIGXAAOZKLF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025017
CCNC(c1cc2c(s1)CCCCC2)CCC(C)C	PC-id_115834060	279.484	XHKLDOJSLQDPAQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025018
CCNC(c1cc2c(s1)CCCCC2)CC(CC)C	PC-id_115846066	279.484	VCFDFPIQARPRSB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025019
CCNCc1csc2c1CCCCCCCCCC2	PC-id_114748812	279.484	DVQKDBANDTWKEJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025020
CNC(c1cc2c(s1)CCCCC2)CCCC(C)C	PC-id_105028893	279.484	FWIKMUGSFIVHRZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025021
CNC(c1cc2c(s1)CCCCC2)CCC(C)(C)C	PC-id_115850058	279.484	MPAWNBTTYMUARY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025022
C[Si](CSC1=CC(C)(C)CCc2n1ccc2)(C)C	PC-id_102345163	279.516	MIDIRKNQVCMMKS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-025023
Clc1ccc2-c(c(c(=O)n2CC(=O)O)C(=O)C)cc1	SCHEMBL11279182,PC-id_12852680	279.676	RFFSSBPBQZBPAO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025024
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(o1)Cl	EMOLS-id_319254830	279.722	QLLGGLUMRIAFRB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-025025
Clc1ccccc1OCc1nnc2CCOCCn12	EMOLS-id_337829951,MCULE-5117790279,ZINC22_2356151525	279.722	MAUZMQNAFVQTHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025026
O=C(c1c(Cl)[nH]nc1C)N1CCCc2c(C1)cco2	EMOLS-id_316571213	279.722	HWZARRIFGBSVHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025027
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]ncc1Cl	EMOLS-id_319446635	279.725	LJWWOWYAMFZZLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025028
Clc1cn[nH]c1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318818610	279.725	UDNBPSDBZRFATO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025029
Clc1[nH]nc(c1C(=O)N1CCCc2c(C1)c[nH]n2)C	EMOLS-id_316543405	279.725	FVARSCIRDSBFIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025030
Clc1c2-c(c(c1)/C=N/c1ccc(cc1)C)ccccc2	PC-id_10707828	279.763	GIKFYTOPUXVASI-UDWIEESQSA-N	00000010100000110110000000000010000000000000000000000000	31-01-025031
Clc1n(c(nc1)Cn1cc2C(O)CCCCc2c1)C	PC-id_83208653	279.765	SHDJKVPDUFYUTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025032
CCc1n[nH]c(c1CN1CCCc2c(C1)c[nH]n2)Cl	EMOLS-id_279153203	279.769	MUTNVYAQHMYAPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025033
Clc1ccc(s1)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_260842412,PC-id_83207282	279.785	YJAUMSTYRKCUFK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-025034
CCCC(=C(c1cc2c(s1)CCCCC2)Cl)C#N	EMOLS-id_314932399,PC-id_79404671	279.828	QTVPGRWKJPIGPO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025035
C1CCc2noc(=O)n2[C@H](C1)I	PC-id_163713100	279.971	KKZVXCNJNXFAEZ-RXMQYKEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025036
CC1=C(C2=C(N1)C(=O)C(=CC=C2)Br)CCN	PC-id_161664108	280.021	MZYGWGYMMLAFKP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-025037
C1COC2=CSC=C2OC1CC3=CC=C(C=C3)Cl	PC-id_154018954	280.032	LPIFHSOIDOUSNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025038
C1CCC2=C(C(C1)NC(=O)OC(F)(F)F)SC=N2	PC-id_154463570	280.049	UVXIOQKVFVSZSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025039
OB(c1cc2=CC(=CC=C=c2o1)OC1=CC=CC=CC1)O	PC-id_143545305	280.083	PFJYNLFNRZMQSS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-025040
CCOP(=O)(O)OCCC1=C2C=CC=CC=C2C=C1	PC-id_149820247	280.086	BQZWTLOHBXCGNS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025041
CC1=C(SC2=C1C(=N[C@H](C(=O)N2)CC(=O)OC)C)C	PC-id_147975252	280.088	ISDOQNNOFAHLGR-VIFPVBQESA-N	00000000100000000111000000000010000000000000000000000000	31-01-025042
Brc1nc2-c(c1C(=O)OCC)ccccc2	PC-id_86231047	280.117	IHGQSKSORWXPFJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025043
BrCCn1c2-c(c(c1=O)C=O)ccccc2	SCHEMBL13042316,PC-id_59563897	280.117	YOANAIAJUITLIF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025044
COC(=O)c1c(N)cc2-c1cc(Br)ccc2	PC-id_102239332	280.117	FHSXWKQJYLGJKE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025045
COC(=O)c1c(N)cc2-c1ccc(cc2)Br	PC-id_102370904	280.117	UWUGXNRVSZNJSE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025046
C1CC2=C(CN(C1)C(=O)C3=C4C=CNC4=CC=C3)C=CO2	MCULE-2160117405,PC-id_154758763,EMOLS-id_257914063	280.121	QKHQLODQTWXHDS-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-025047
Ic1nc2c(s1)CCNCC2	SCHEMBL3878797,PC-id_68824314	280.129	ZSPHQFZPSFCXIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025048
BrCc1nnc2CCS(=O)(=O)CCn12	MCULE-9954919936,EMOLS-id_277308882	280.142	IHTDVAHJEWHBAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025049
CN1CCN(CC1)CC2C3=C(CCCCO2)SC=C3	PC-id_153680353	280.161	UOFSOHWLEPMZFX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025050
CN1C2=C(CN(CCC2)CCC3=CC=C(C=C3)C#N)C=N1	EMOLS-id_317270009,PC-id_154763695,MCULE-8439823695	280.169	QEKJFOGCBOZOGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025051
C1CCC(CC1)CCC2=NN=C3N2CCSC[C@H]3N	PC-id_153803547	280.172	SJMOYUZNYOLMLA-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025052
CC1=NN=C2N1CCN(C(C2)(C)C)C(=O)OC(C)(C)C	PC-id_154785956,MCULE-9578809172,EMOLS-id_317743813	280.19	UUVGCGVDWMAWCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025053
OC(=O)c1cc2OCC(CCn2n1)OCC(F)(F)F	EMOLS-id_337760459	280.201	PVBQUDAQAGSFPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025054
OC(=O)c1sc(c2c1OCC(CO2)(F)F)C(=O)O	SCHEMBL5730433,PC-id_22222144	280.202	KZTIORFVAVITKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025055
O=C(c1nnc2-c1ccncc2)c1ccc(cc1)[N+](=O)[O-]	PC-id_140984144	280.238	FEBVQWYDFDIOIE-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-025056
CCOP(=O)(Oc1ccc2-c1ccccc2)OCC	PC-id_23218317,SCHEMBL8698261	280.256	ULDUJKOISNVMRO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025057
Fc1ccc(CN2CCc3n[nH]c(=O)n3CC2)cc1F	MCULE-7418105422,EMOLS-id_49731299,PC-id_91910597	280.273	MEIHYMYPZBDFCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025058
COc1ccc(cc1)C(=O)c1c(=O)oc2-c1ccccc2	PC-id_139790787	280.275	RVDWSQPYADBTEF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-025059
O=C(c1c(C)c(c2-c1ccccc2)C(=O)O)c1ccco1	PC-id_139771647	280.275	PZRJNFCYSUOOKP-UHFFFAOYSA-N	00000010101000000110000000000010000000000000000000000000	31-01-025060
c1(c2C(=O)CCNC(=O)c2n(C)c1)C(=O)OCCOC	MCULE-1205618512	280.277	OXTQWHCQAFPSEV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025061
CCOC(=O)c1c[nH]c2c1C(=O)CC(CC2)C[N+](=O)[O-]	SCHEMBL6498125,PC-id_69801762	280.277	ULYMREBYIJBBRG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025062
O=C1c2c(n(cc2C(=O)O)C)CN(CC1)C(=O)OCC	PC-id_624386	280.277	ZZVKJIJAZKZLIP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025063
O=C1c2c(N(CCC1)C(=O)OCC)n(cc2C(=O)O)C	PC-id_12710450	280.277	DGJZRVCRFAXNIQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025064
O=C1C=Cc2n(C/C/1=Cc1cccc(c1)[N+](=O)[O-])ccc2	PC-id_101582955	280.278	ITDDQAXGPYWGPD-UKTHLTGXSA-N	00000000100000110110000000000010000000000000000000000000	31-01-025065
C1CC(C1)C(=O)N1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965559,PC-id_89580009	280.28	HPUGZARSCZBFGO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-025066
o1nc2n(C(CCCC2)CC([N+](=O)[O-])CCC#N)c1=O	PC-id_22901414	280.28	SRBBAZCDOIKRDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025067
O=C(N1C=Cc2n(CC1)nc(c2)[N+](=O)[O-])OC(C)(C)C	PC-id_141676549	280.28	GRSOCACTBWCVHX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-025068
FC(F)(F)C(=O)c1c2-c(c(c1)C)cccc(C(C)C)c2	PC-id_86252807	280.285	QVAXGHBXPJZQBG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025069
FC(F)(F)C(=O)c1c2-c(cc1C)ccc(C(C)C)cc2	PC-id_86252810	280.285	HUMQLJDTOPEAAD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025070
FC(F)(F)C(=O)c1c2-c(ccc(C(C)(C)C)cc2)cc1	PC-id_15440524	280.285	PCJUJQYJIZTBFE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025071
O=C(c1c(n2c([nH][nH][nH]1)c(nc2)C#N)C)c1ccccc1	PC-id_85127229	280.285	BTMFNTYTJGNCFB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-025072
Fc1ccc(c(c1)N=Cc1c(=O)[nH]c2-c1ccccc2)C	PC-id_144080664	280.296	FEUURLVHWWHMEJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-025073
FC1=CCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102167140	280.301	VIMRLUPQYDUWSH-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-025074
OC(=O)c1coc(n1)Sc1nnc2n1CCCCC2	PC-id_104114686	280.303	OODXDRHCBVEAHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025075
NCC(C(F)(F)F)Sc1nnc2n1CCCCC2	EMOLS-id_315086938,PC-id_43753018	280.313	PMGRXJDVMLFRLF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025076
FC(F)n1c(ncc1)Cn1cc2C(N)CCCCc2c1	PC-id_83208940	280.316	HLDSOCXFPZIFCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025077
OC1C=CCC(c2c(C1)c(oc2)CC1(C)OCCO1)O	PC-id_101550458	280.316	HJPIVQFXKSKDHB-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-025078
O=C1OCCCCCCCCCOC(=O)c2oc1cc2	PC-id_122376126	280.316	SIQNJQSGEXYGAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025079
Cc1cc2=CC=C[C@H](C=c2o1)Cc1cc2c(cc1)OCO2	SCHEMBL19820205,PC-id_134214380	280.318	XWWRQZIBQIDEKQ-ZDUSSCGKSA-N	00000010100000100111000000001010000000000000000000000000	31-01-025080
CCCC(C(=O)O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_72346424,PC-id_120534647,MCULE-6533978952	280.32	UEEBHHPLLGQZPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025081
CC(C)(C)OC(=O)N1Cc2cccn2C[C@H](C(=O)O)C1	ZINC22_379476697	280.32	VPSLWYNQRHKRMF-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-025082
CC(C)(C)OC(=O)N1Cc2cccn2C[C@@H](C(=O)O)C1	ZINC22_379476698	280.32	VPSLWYNQRHKRMF-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025083
CC(C)(C)OC(=O)N1CCCc2[nH]c(cc2C1)C(=O)O	EMOLS-id_330922993	280.32	HKXPONNEQACALQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025084
CC(C)(C)OC(=O)N1CC(Cn2cccc2C1)C(=O)O	EMOLS-id_50368926,MCULE-7141031674	280.32	VPSLWYNQRHKRMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025085
CCC(C(=O)O)(NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_72328056,MCULE-8620651750,PC-id_120518529	280.32	ZGIKHMMVRYAAML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025086
CC(C(C(=O)O)NC(=O)c1noc2c1CCCCC2)C	PC-id_120513285,MCULE-8178305449,EMOLS-id_57585977	280.32	LJKGQADZIMHEBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025087
CC([C@@H](C(=O)O)NC(=O)c1noc2c1CCCCC2)C	PC-id_121897589,EMOLS-id_72505320,MCULE-7037203540	280.32	LJKGQADZIMHEBX-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-025088
CC([C@H](C(=O)O)NC(=O)c1noc2c1CCCCC2)C	PC-id_121898120,EMOLS-id_72506368,MCULE-8355278874	280.32	LJKGQADZIMHEBX-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025089
CCCN(C(=O)c1noc2c1CCCCC2)CC(=O)O	EMOLS-id_57597567,PC-id_120519565,MCULE-4231681179	280.32	OMIOJEVMJASOPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025090
CC(C(NC(=O)c1noc2c1CCCCC2)C)C(=O)O	EMOLS-id_72458486,MCULE-4692530724,PC-id_121873170	280.32	HXSHLNHEIIRXBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025091
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NC(=O)c1nn2c(c1)C(NCCC2)OC1CCCCO1	SCHEMBL2578064,PC-id_67459989	280.323	RHDUSANYRCKVBH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025126
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O[C@@H]1CCN(C1)C(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_111561611	280.323	KMCUGMVPIIYYCH-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025133
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C1C=CC2C1CN(C2)NC(=O)c1nnc2-c1ccccc2	PC-id_90775190	280.324	JHMDESWIAGRGBA-UHFFFAOYSA-N	00000011100000000111000000000110000000000000000000000000	31-01-025136
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C1CCc2nnc(n2CC1)/C(=C(/c1ccccc1)O)/C#N	PC-id_135432506,CoCoCo_3719776	280.324	JUIYKGYJGKIMPD-SQFISAMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025140
C1CCc2nnc(n2CC1)/C(=C/c1ccccc1O)/C#N	PC-id_135877803	280.324	VQCYPRNSEREKDD-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025141
C1CCc2nnc(n2CC1)C(=Cc1ccccc1O)C#N	PC-id_136259054	280.324	VQCYPRNSEREKDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025142
c1(C(=O)Nc2ccc(cc2)C#N)c2CCCCCc2[nH]n1	EMOLS-id_334963503,MCULE-3956450255	280.324	AFUOIEYNKIQUGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025143
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CCC/C(=C/N)/C1=NCCOc2c1cc(s2)C(=O)O	PC-id_138568029	280.343	GLNIFDBQMCTGER-FPLPWBNLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-025184
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CNC1C(=O)N(CCc2c1scc2)C(=N)NC(=O)C	PC-id_141978820	280.346	NGGAXAMNBFSJNX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025188
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Cn1c(=O)[nH]c(n1)CSc1nnc2n1CCCCC2	PC-id_137232259	280.349	OWKWLRPZRBQBRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025191
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CC(C)c1ccc(C)c2-c(c(cc2S(=O)(=O)F)C)c1	MCULE-2713486926,EMOLS-id_208131938,PC-id_86123483	280.358	RGASEITZCBOSJE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025193
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CC(C)(C)OC(=O)N1Cc2cccn2C[C@@H](CCO)C1	ZINC22_503841503	280.363	LBVREACQBHRHOW-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025205
CC(C)(C)OC(=O)N1Cc2cccn2C[C@H](CCO)C1	ZINC22_503841505	280.363	LBVREACQBHRHOW-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025206
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CC/C=C(C=C/Cn1cc(c2=CC=CCC=c12)C#N)/OC	PC-id_143184834	280.364	GADCHSXVSKMXAE-KQGIKXCNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-025214
CC(C)n1c2ccccccccccccc2c(=O)[nH]1	PC-id_137483081,SCHEMBL20725319	280.364	YKNYRKNSYTXDDO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-025215
C[C@@H](OC1=c2c(C)n[nH]c2=CC=CC1)Cc1ccccc1	PC-id_144055395	280.364	XKBZTXJMOQZCKA-CYBMUJFWSA-N	00000000100000110111000000000010000000000000000000000000	31-01-025216
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Cc1cc2n(n1)CCCN(C[C@@]1(O)CNCCOC1)C2	ZINC22_77487740,PC-id_96403479	280.366	CIYAZKIUNBLTAW-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025222
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CC(C)CCNC(=O)Cn1nc2CCCCCn2c1=O	SPECS-id_AT-687/NB01993,MCULE-1249330503,PC-id_75526911,ZINC22_98211250,EMOLS-id_48467459	280.366	NXYKVZYMDCSVTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025224
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CC(C[C@H]1COCn2nncc2CC[C@@H](C(=O)N1)C)C	PC-id_54649864,CHEBI:127391	280.366	VOLROSYWCQLQCQ-RYUDHWBXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025228
CCC[C@@H](C)NC(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_24463595	280.366	UIZGNCLKPZKLLE-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025229
CCC[C@H](C)NC(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_24463600	280.366	UIZGNCLKPZKLLE-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-025230
CCCC(NC(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_53536754,EMOLS-id_36626063,MCULE-3647697868	280.366	UIZGNCLKPZKLLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025231
CCC(CNC(=O)N1CCCc2c(C1)cnn2C)OC	EMOLS-id_101690000	280.366	KIPOBYZQRXNBHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025232
CC(C)(C)OC(=O)N1Cc2ccnn2C[C@H](CCN)C1	ZINC22_306124640	280.366	BVRPPUHRPACTET-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025233
CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](CCN)C1	ZINC22_306124641	280.366	BVRPPUHRPACTET-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-025234
CC(C)(C)OC(=O)N1CCCCCn2c(cc(n2)N)C1	SCHEMBL20053913,PC-id_134420935	280.366	XZZIZVQGJFVXCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025235
CC(C)(C)OC(=O)N1CC(CCN)Cn2nccc2C1	EMOLS-id_50578833	280.366	BVRPPUHRPACTET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025236
CC(C)OCc1ncn2c1CN(C(=O)N(C)C)CCC2	EMOLS-id_46148407,ZINC22_96059058,PC-id_97381711	280.366	KZURDFHLQCFUPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025237
C[C@@H]1CN(Cn2nc3n(c2=O)CCCCC3)C[C@@H](C)O1	PC-id_29899171,ZINC22_21958849	280.366	ZNSYYDGUOQWBKX-VXGBXAGGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025238
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CCOCC1CCn2nccc2CN1CC(=O)N(C)C	EMOLS-id_313821475	280.366	KOBZLZQTSSCJCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025241
CCOC[C@H]1CCn2nccc2CN1CC(=O)N(C)C	ZINC22_585097384	280.366	KOBZLZQTSSCJCN-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025242
CCOC[C@@H]1CCn2nccc2CN1CC(=O)N(C)C	ZINC22_585097385	280.366	KOBZLZQTSSCJCN-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025243
CCOC[C@@H](NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101711789	280.366	PVSUWXYUEAKUKN-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-025244
CCOCC(=O)N1Cc2ccnn2C[C@H](CN(C)C)C1	ZINC22_248074439	280.366	BQGLMJSAUCTMQD-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025246
CCOCC(=O)N1Cc2ccnn2C[C@@H](CN(C)C)C1	ZINC22_248074440	280.366	BQGLMJSAUCTMQD-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025247
CCOCC(=O)N1CC(CN(C)C)Cn2c(C1)ncc2	PC-id_118739501	280.366	URPUUMHGIDHSNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025248
CCOCC(=O)N1CC(CN(C)C)Cn2nccc2C1	EMOLS-id_50376169	280.366	BQGLMJSAUCTMQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025249
Cn1c(c2CNCCCc2n1)OCCN1CCOCC1	PC-id_136590257	280.366	ZXOPEXNCSQVDNT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025250
Cn1c(=O)n2CCC(CCc2n1)N(C)C1CCOCC1	PC-id_91922717	280.366	OJZUWHWMPMNBFU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025251
CN(Cc1cc2n(n1)CCCNC2)C[C@@H]1COCCO1	ZINC22_72154531,PC-id_95720773	280.366	BFPHGCUFXHXYME-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025252
CN(Cc1cc2n(n1)CCCNC2)C[C@H]1COCCO1	ZINC22_72154532,PC-id_95720774	280.366	BFPHGCUFXHXYME-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025253
CN(CC1COCCO1)Cc1cc2CNCCCn2n1	EMOLS-id_43114231,PC-id_56895978,MCULE-5377962194	280.366	BFPHGCUFXHXYME-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025254
CNCC(CN(C(=O)c1cnc2n1CCCCC2)C)O	EMOLS-id_319118744	280.366	BZIXNEHWKRSOMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025255
COCC1OCCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_111150187	280.366	UWAOZDKKBWREDH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025256
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COCC(CNC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101723415	280.366	VQDYJXJYMOYDBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025259
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c1(CN2CCCn3cncc3C2)c[nH]c2cc(C)ccc12	PC-id_56888402,EMOLS-id_43082945,MCULE-9968832851,ZINC22_72135227	280.367	XJRRUJCSTGMXPV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-025286
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N#Cc1cc(ccc1C)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319244153	280.367	CLJDHYAQSQNHJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025288
OC(c1cc2c(s1)CCCCC2)CC1CCOCC1	PC-id_115789622	280.426	FBHGTDQPFFXRDA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-025402
c1ccc2c(c1)ccn2Cc1nnc2n1CCCCCC2	PC-id_146137269,ZINC22_630951199	280.368	JNNDJOQMDUCOQJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-025289
C=CC=CC=C(C(=N)C)NCc1nc2c([nH]1)CC=CC=C2	PC-id_143210256	280.368	QQQOTEQEWRPLNA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-025290
n12nnnc1CCCCCCC2=CC=Cc1ccccc1	PC-id_21580117	280.368	DBPSNMOHUYICMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025291
n1(cc2C(N)CCCCc2c1)Cc1nc2n(c1)cccc2	PC-id_83209447	280.368	MWCOKYYNWAVCNN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-025292
n1(cc2C(NC)CCCCc2c1)Cc1cccnc1C#N	PC-id_83210225	280.368	SZAJRZDDIDFPME-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-025293
N#Cc1cc(NCc2cnc3n2CCCCC3)cc(c1)C	EMOLS-id_318393985,MCULE-4913405610	280.368	BSNQNUPNXIXEIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025294
N#CCc1ccc(cc1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319629843	280.368	QCWLHIODBHUNEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025295
Cc1nc2c(s1)N(CCCC2)C(=O)c1csnn1	EMOLS-id_318841963	280.369	GBQSGVDCCJSNGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025296
Cc1nc2c(s1)N(CCCC2)C(=O)c1nsnc1	EMOLS-id_318815190	280.369	UGYRFIQIZVLIJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025297
COCC(NC(=NCc1nnc2n1CCCCC2)N)C	PC-id_111031968	280.369	NBXDAJXERXRNAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025298
COCCN=C(NCCc1nnc2n1CCCCC2)N	PC-id_110914518	280.369	BWSHEUZLPYEELW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025299
COCCNC(=NC)NCc1nnc2n1CCCCC2	PC-id_110941886	280.369	UMSDCLKXPNKGTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025300
O=C(c1cnns1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110280454	280.369	SBBOHSXPYJXEPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025301
O=C(c1csnn1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110529248	280.369	DPBFGWSQZUYVNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025302
C=C/C(=CC1=CNc2c(C(=S)N1)cc(s2)CC)/F	PC-id_142812517	280.384	RZYOXSRWYYVVIV-VMPITWQZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-025303
c1(NC(=O)C(C)C)sc2c(CCCCC2)c1C(=O)N	PC-id_2862863,ZINC22_4476469,BAS-07537499,MCULE-1034272549,CoCoCo_370576,EMOLS-id_1501726	280.386	YKVYCEMSGXHUHO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025304
c1(sc2c(CCCCCC2)n1)NC(=O)C1CCCO1	EMOLS-id_303300390,MCULE-5655378081	280.386	JRMQHATXLYMHST-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025305
CC1CCC(O1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_303342075	280.386	UYSUHTXHUSHNGZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025306
CC1COC(C1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320032311,MCULE-3323225507	280.386	OICWBVCOCBLXIR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025307
CC1CSCC1NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_102532729	280.386	ZFQKDUSUXNNSQE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-025308
CC1CSCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_102667562	280.386	XAPPNXZIGDHYPG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025309
CC1OCCC1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318900066	280.386	WIIQKUXHBSKVTD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025310
CC1OCC(C1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-5474934825,EMOLS-id_320142932	280.386	LHRRJWQXIXKWQV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025311
CC1OCC(C1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_101129469	280.386	NABFUQVJIUWIFT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025312
CC1OCCC1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98645115	280.386	BANWZJGQQBXBLC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025313
CC1SCC(C1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101684048	280.386	MOIDPJWOGGSBMQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025314
CC1SCC(C1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_102817554	280.386	QEYQIGUDLGELEH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-025315
C=CC(CC(=O)N1CCCCc2c1sc(n2)C)(O)C	EMOLS-id_318840438	280.386	PPQCRZWYJCFXPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025316
CCCC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_4476471,CoCoCo_370588,PC-id_3156680,MCULE-6916085463	280.386	DVBKRSWLPPCBIZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025317
C=CCN1CCc2c(CC1)sc(c2C(=O)OCC)N	PC-id_20244866,SCHEMBL10861085	280.386	NFGOQDXZRNKVSO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025318
CCC(=O)NNC(=O)c1sc2c(c1)CCCCCC2	CoCoCo_3218306,MCULE-6449121992,PC-id_17470469,EMOLS-id_13543594	280.386	RCWWNZQFRWNCPI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025319
CC(NS(=O)(=O)C1(C)C=CC=c2c(=C1)ccn2C)C	PC-id_144480772	280.386	QXEHJEULKRQUMR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-025320
CCOC1CC1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318815953	280.386	DREHGBURDTUXES-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-025321
CNC1C(=O)N(CCc2c1occ2)CC1CCCS1	SCHEMBL14171372,PC-id_23554636	280.386	PELYVCICEHDSHS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-025322
CNC1C(=O)N(CCc2c1occ2)CC1CSCC1	SCHEMBL14171369,PC-id_23554640	280.386	SQHJKEVEKBXTMI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-025323
CNC1C(=O)N(CCc2c1scc2)CC1CCCO1	SCHEMBL14171111,PC-id_23554618	280.386	ZBAHHMRRDKQDGQ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-025324
CNC1C(=O)N(CCc2c1scc2)CC1COCC1	SCHEMBL14171097,PC-id_23554622	280.386	XLRIEBGQDJHVHY-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-025325
CN(CCCC(=O)c1cc2c(s1)CCCC(=O)N2)C	SCHEMBL8916424,PC-id_21471887	280.386	RGSVDVRVUDQCEA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025326
CN(CCCC(=O)c1sc2c(c1)C(=O)NCCC2)C	PC-id_21471942,SCHEMBL8917854	280.386	BJZOPZQTKAMEOS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025327
CNC(=O)CCNC(=O)c1cc2c(s1)CCCCC2	ZINC22_49176251,MCULE-1111723643,PC-id_47356144,EMOLS-id_33312221	280.386	CEVPTXLAKFCPHF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025328
CN(C(=O)Cn1c(=O)sc2c1CCCCC2)C1CC1	MCULE-1690266796,PC-id_71931455,EMOLS-id_45649654	280.386	IEZFGMOWRVFBEM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-025329
COC1CC(C1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320052102,MCULE-1705721547	280.386	NTVQUESSLBNXCC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-025330
COC(C(=O)N1CCCCc2c1sc(n2)C)C1CC1	EMOLS-id_319654815	280.386	WFIHSEPKQMNIFX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-025331
NC(=O)CCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_45819621,EMOLS-id_31938462,ZINC22_40523763,CoCoCo_4882528,MCULE-6224952049	280.386	VDYKFVHERXHMNS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025332
OC(C1CC1)CC(=O)N1CCCCc2c1sc(n2)C	MCULE-6117323798,EMOLS-id_320229822	280.386	WGOVLXRPXSKMJG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-025333
OCC1(CCC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_320281650,MCULE-6255551133	280.386	XULRSRIJDRYWDS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-025334
O=C(C1CCCCO1)Nc1nc2c(s1)CCCCC2	EMOLS-id_111813269	280.386	YHTDSVUTDUTNSH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025335
O=C(C1(C)CCCO1)Nc1nc2c(s1)CCCCC2	EMOLS-id_111947613	280.386	WQMPHSFAOSSDMP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025336
O=C(C1(C)COC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99242460	280.386	PWAMMEIMGLOOST-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-025337
O=C(C1(C)COCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_99439575	280.386	DNJTTYGRJXHWEW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025338
O=C(C1COCC1)Nc1sc2c(CCCCCC2)n1	MCULE-9278221367,EMOLS-id_110761966	280.386	MCERGXJEWZMRDL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025339
O=C(c1noc2c1CCCCC2)N1CCSCCC1	EMOLS-id_102746039	280.386	IJEUTWDTWRIUQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025340
O=C(c1noc2c1CCCCC2)NCC1CCCS1	EMOLS-id_100098282	280.386	PDQIOMHWDGIFMB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025341
O=C(c1noc2c1CCCCC2)NCC1CCSC1	EMOLS-id_99880544	280.386	DLWASXGVHFPHNE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025342
O=C(C1(O)CCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111062767	280.386	TUWWCYLMRBBSGH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-025343
O=C(C1(O)CCCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110780433	280.386	HWRLOCQVPHTEIL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025344
O=C(CC(C1CC1)O)Nc1nc2c(s1)CCCCC2	EMOLS-id_319418461	280.386	XHTPVJFUFDOXTN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-025345
O[C@@H]1CNC[C@@H]1NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_319439133	280.386	OHNISDZKKOEMSA-WDEREUQCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-025346
O=C(N1CCCc2c(C1)cco2)NC1CCCSC1	EMOLS-id_102523544	280.386	BAMDETFXGZTXCQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-025347
O=C(N1CCCc2c(C1)cco2)NC1CCSCC1	EMOLS-id_102461305	280.386	PYZZQJUKZHEBRH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-025348
O=C(N1CCCCc2c1sc(n2)C)C1CCCCO1	EMOLS-id_319032143	280.386	FCNYQQRPZJVING-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025349
O=C(N1CCCCc2c1sc(n2)C)C1CCOCC1	EMOLS-id_319494033	280.386	KSKXXKVNOXGOPT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025350
O=C(N1CCCCc2c1sc(n2)C)C(C1CCC1)O	EMOLS-id_319352098	280.386	UVLURLCHNABLEW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-025351
O=C(N1CCCCc2c1sc(n2)C)CC1CCCO1	EMOLS-id_319673925	280.386	QPNHSAXWRFFEOF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025352
O=C(N1CCCCc2c1sc(n2)C)CC1COCC1	EMOLS-id_319683342	280.386	QHYCJNFCIQZRQO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025353
O=C(N1CCCCc2c1sc(n2)C)COCC1CC1	EMOLS-id_320089624,MCULE-9247299697	280.386	WSHLNAGITHJDPY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-025354
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O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1CCCO1	ZINC22_48925968,EMOLS-id_110504820	280.386	JRMQHATXLYMHST-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-025358
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n1(cc2C(N)CCCCc2c1)Cc1cc2CCCc2cc1	PC-id_83209237	280.407	HFOARZCOXXHQKN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-025387
S1CC(OC(=O)C)CSc2sc(=O)sc12	PC-id_3402531	280.407	WLBDANJNKSFVRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025388
CC(=O)C[n+]1c(sc2c1CCCCC2)/N=C/N(C)C	SCHEMBL8801347,PC-id_136092773	280.409	ZHLIWRXIPDKFHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025389
COC(CCNC(c1nnc2n1CCCCC2)C)(C)C	PC-id_106675335	280.409	NKPNAEBTWXDIRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025390
COCCN1CCCn2c(C1)c(nc2)CN(C(C)C)C	PC-id_97405439	280.409	JVSRKFWZRRNUOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025391
COCCNCCCNCc1n[nH]c2c1CCCCC2	PC-id_104424633	280.409	MJGJSJMGIQFBBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025392
COCCNCC(NCc1n[nH]c2c1CCCCC2)C	PC-id_104397814	280.409	NTKLUGKFWCRXIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025393
COCCNCCN(Cc1n[nH]c2c1CCCCC2)C	PC-id_104414611	280.409	DKLUKVSAEIUNNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025394
OCC(CNC(c1n2CCCCCc2nn1)C)(CC)C	PC-id_81413239	280.409	ACHKNWOXFIGYAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025395
O(CC(NC(c1n2CCCCCc2nn1)C)C(C)C)C	PC-id_80408224	280.409	POEOAQWQFGJULF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025396
O=C(NC1=NCCS1)c1cc2c(s1)CCCCC2	MCULE-2429032486,EMOLS-id_3693449,CoCoCo_3327065,ZINC22_5173975,PC-id_7536203	280.409	CAKIOMGWRWRXGP-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-025397
s1c2CCCCCc2c(c1NC(=O)CSC)C#N	PC-id_47098531	280.409	MGRZIBQOAXFTLN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025398
C1CNCCCNCc2[nH]nc(CNCCCNC1)c2	PC-id_102496716	280.412	XYWNYOGOESZUKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025399
COC(CCC(=O)c1cc2c(s1)CCCCC2)(C)C	PC-id_103024756	280.426	ARAVCOPTPNNNPA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025400
COC(=O)c1csc2c1CCCCCCCCCC2	PC-id_114748230	280.426	CMGZKGZEXVBYCO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025401
OC(c1cc2c(s1)CCCCC2)CCC1CCCO1	PC-id_115809348	280.426	FJOQTVZGMKGBPR-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-025403
c12N(CCCCc1cc(C(=O)N(CC)C(C)C)s2)C	EMOLS-id_97022638,MCULE-8779203101	280.429	ZBFGFUQQEPPOEX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025404
c12N(CCCCc1cc(C(=O)NC(C)CCC)s2)C	MCULE-6218644665,EMOLS-id_97025390	280.429	LKRNDKMCQMGCHY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025405
c12N(CCCCc1cc(C(=O)NC(C)(C)C)s2)CC	EMOLS-id_97027116,MCULE-6411720683	280.429	XVUBAYYVZVTWGJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025406
c1(C(=O)N)c2CCCCCCCCCCc2sc1N	ZINC22_4651416,EMOLS-id_837303,CHEMBL1479796,CoCoCo_743947,TIMTEC606936,SPECS-id_AK-968/41024518,PC-id_2887407,MCULE-8847543974	280.429	ZWYJGZBVZUJYQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025407
c1(C(=O)N(CC)CC)c2CCCCCCc2sc1N	PC-id_43367322,MCULE-7970963280	280.429	WGRYSTDSHLXVMO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025408
c1(C(=O)NCCN(C)C)cc2c(CCCCCC2)s1	ZINC22_16605486,CoCoCo_1074986,MCULE-6932284759,PC-id_17249165,TIMTEC222093,EMOLS-id_14095228	280.429	IPPAAFFFDWUNEC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025409
c1(NC(=O)C)sc2c(CCCCCCCCCC2)n1	ZINC22_521120,EMOLS-id_4531028,STOCK3S-79058,PC-id_930096,MCULE-6641561803	280.429	LUEUUBBSRSGQPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025410
CCCCC(N1CCc2c(NC1=O)csc2)CCC	PC-id_143122241	280.429	GNYNQDHORLPCJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025411
CC(CCNC(=O)c1sc2c(c1)CCCCCC2)N	MCULE-7725088268,PC-id_119496147,EMOLS-id_301617495	280.429	RVFFZSSZPXUEKH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025412
CCNCCNC(=O)c1sc2c(c1)CCCCCC2	MCULE-6502174399,EMOLS-id_301648005,PC-id_119505957	280.429	IUHFVASKGQAKST-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025413
CCN[C@@H](CNC(=O)c1cc2c(s1)CCCCC2)C	PC-id_120653791,EMOLS-id_302398369,MCULE-3855692251	280.429	KAWKAKLOFGOSRM-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025414
CN(CCCNC(=O)c1cc2c(s1)CCCCC2)C	PC-id_86978394	280.429	YYRNBAPWCZUAGS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025415
CNCCCNC(=O)c1sc2c(c1)CCCCCC2	PC-id_119430784	280.429	KSDBJLNDWPSHNI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025416
CNCCN(C(=O)c1sc2c(c1)CCCCCC2)C	MCULE-1573463299,EMOLS-id_302019276,PC-id_120177009	280.429	UJRULJRTNDVRGX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025417
CNC(CNC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_120830637,MCULE-6656010445,EMOLS-id_302782012	280.429	VZGROHCQIJODLT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025418
n1c2CCCCCc2sc1C(C)NCC1CCCO1	PC-id_46784964,MCULE-3385814366	280.429	ZOPOUAHEHIASTN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025419
NCCCCNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_302226330,PC-id_120295369,MCULE-4143423478	280.429	YZIPVVXOYBLOHB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025420
NCC(CNC(=O)c1sc2c(c1)CCCCCC2)C	MCULE-1063973447,EMOLS-id_302004569,PC-id_119998134	280.429	HTSICGUMXIROKR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025421
NCC(N(C(=O)c1sc2c(c1)CCCCCC2)C)C	EMOLS-id_301673209,PC-id_119582392,MCULE-6043435823	280.429	YOQZCHHQCJHKGC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025422
NCC(NC(=O)c1sc2c(c1)CCCCCC2)(C)C	MCULE-9269769694,EMOLS-id_301644001,PC-id_119522394	280.429	NLDRQYQENDOCSM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025423
S=c1sc2c(s1)S/C=CS/C=CS2	PC-id_101940044	280.497	GRCVYYFGRPRXGN-CCAGOZQPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-025518
NNC(c1cc2c(s1)CCCCC2)C1CCCOC1	PC-id_107139835	280.429	JNQXEPPHCUQGFJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-025424
NNC(c1cc2c(s1)CCCCC2)C1CCOCC1	PC-id_113701721	280.429	WQKXPICWFOHUKJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-025425
O=C(c1sc2c(c1)CCCCCC2)NCC(N)(C)C	PC-id_119627101,MCULE-3544307919,EMOLS-id_301755865	280.429	SREDDMUDRVEASR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025426
O=C(C(N1CCCc2c(C1)ccs2)C)NC(C)(C)C	EMOLS-id_318077901	280.429	SEJQSFYOYDKBTI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025427
s1c2CCCCCc2cc1C(=O)NC(CCC)CN	PC-id_65191084	280.429	YCSJQGYXUFGDST-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025428
s1c2c(CCCCC2)cc1C(=O)NC(C(C)C)CN	PC-id_65191225	280.429	SYVFKLNOWJELMB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025429
s1c2CCCCCc2cc1C(=O)NCCCNCC	PC-id_43601516	280.429	LQWANKRYYKBWFU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025430
s1c2CCCCCc2cc1C(=O)N(CCCNC)C	PC-id_80396847	280.429	BTPUYJSRYODMQM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025431
s1c2CCCCCc2cc1C(=O)NCC(CNC)C	PC-id_81478668	280.429	JIUFCJYDISDMAR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025432
s1c2CCCCCc2cc1C(=O)NCCNCCC	PC-id_55100577	280.429	QTXRFHKPIMVZJB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025433
s1c2CCCCCc2cc1C(=O)NCCNC(C)C	PC-id_62664005	280.429	DGJSUNMMXBTRGR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025434
s1c2CCCCCc2cc1C(=O)NCC(N)C(C)C	PC-id_64175493	280.429	RAROPJDQCVIDCQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025435
s1c2CCCCCCc2nc1NC(=O)C(CC)(C)C	PC-id_56402509	280.429	DRUXBFFLJWAQQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025436
s1c2CCC(C(C)(C)C)C(=O)N(C(C)(C)C)c2nc1	PC-id_60109399	280.429	JZRJKJFVQZDDES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025437
s1c2CC(C(C)(C)C)C(=O)N(C(C)(C)C)Cc2nc1	PC-id_60109381	280.429	UXAKSZXOPUDMGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025438
s1c2C(C(C)(C)C)C(=O)N(C(C)(C)C)CCc2nc1	PC-id_60109375	280.429	XWNQCRQLANMJBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025439
s1c2c(nc1)C(C(C)(C)C)C(=O)N(C(C)(C)C)CC2	PC-id_60109468	280.429	ZVNZQASDUSQOCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025440
s1c2CN(C(C)(C)C)C(=O)C(C(C)(C)C)Cc2nc1	PC-id_60109406	280.429	MQMZLRLXSWSQKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025441
s1c2N(C(=O)C(C(C)(C)C)CCc2nc1)C(C)(C)C	PC-id_60109444	280.429	ZOGRUKOLBGEZDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025442
CC1(C)CN(Cc2nnc3n2CCCCC3)CCS1	PC-id_100641638,ZINC22_225460596,EMOLS-id_53763818,MCULE-5980508476	280.432	SMRXOSLLXLWXGO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025443
CC1C(C)SCCN1Cc1nnc2n1CCCCC2	EMOLS-id_102521973	280.432	KBNWFUNUWDWCPI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025444
CC1CCSCCN1Cc1nnc2n1CCCCC2	EMOLS-id_102653053	280.432	MXOLVSSLSZEHNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025445
CC1CSCCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_102756086	280.432	MPUKWNYIWIHVQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025446
CC1SCCC1NC(c1nnc2n1CCCCC2)C	PC-id_102671512	280.432	YHRWVLZYSMNJOY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025447
CC1SC(C)CN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_102276509	280.432	BYYWUMDUOBTVGJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025448
CC1SCCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_102758983	280.432	AENAPLNVROCDJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025449
CC(c1nnc2n1CCCCC2)NCC1CCSC1	PC-id_107131773	280.432	OYNWZVIHPGPDND-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025450
CCCNCC(=C)CSc1nnc2n1CCCCC2	PC-id_103068265	280.432	DTSHKMNCPUPSNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025451
CC(NCC(=C)CSc1nnc2n1CCCCC2)C	PC-id_103068266	280.432	FJZUNICJJHSUTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025452
N1CCC(CC1)CCSc1nnc2n1CCCCC2	PC-id_105061289	280.432	LPGCPUBQSZUSHJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025453
NC(C1CCCC1)CSc1nnc2n1CCCCC2	PC-id_104755308	280.432	SSJCPQVWNWSBBL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025454
s1c2CCCC(CCCCC)Cc2nc1N=C(N)N	PC-id_10016538	280.432	GKOJQXMFBMSSCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025455
S1C(CC(NC(c2n3CCCCCc3nn2)C)C1)C	PC-id_79942010	280.432	XZSNEDOFIUHORL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025456
S1CCC(NC(c2n3CCCCCc3nn2)C)CC1	PC-id_43746970	280.432	XPCGIMPBGCEZPW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025457
S1CC(NC(c2n3CCCCCc3nn2)C)CCC1	PC-id_62871623	280.432	IOKKUSCPJONRQL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025458
S(C1C(CCCC1)CN)c1n2CCCCCc2nn1	PC-id_43530515	280.432	HXGBBJBFNLGKCU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025459
S(C1C(C(NC)CC1)C)c1n2CCCCCc2nn1	PC-id_64904937	280.432	OLOVQUOAROZPHE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025460
S(C1CC(NC)CCC1)c1n2CCCCCc2nn1	PC-id_64718216	280.432	JMBSPFRSLGAOHB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025461
S(C1CC(NCC)CC1)c1n2CCCCCc2nn1	PC-id_64724902	280.432	XEPSTVCNLUSMPR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025462
S(C1C(N)C(CC1)(C)C)c1n2CCCCCc2nn1	PC-id_79862763	280.432	HSPWYMSAWZBEQO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025463
S(C1C(N)CCC(C1)C)c1n2CCCCCc2nn1	PC-id_64649116	280.432	FHYQQVXCIBMIBV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025464
S(C1C(N)CCCCC1)c1n2CCCCCc2nn1	PC-id_64647943	280.432	HZKZKFVOOYAXRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025465
S(C1C(NCC)CCC1)c1n2CCCCCc2nn1	PC-id_64647944	280.432	XZWZCAWNWZGQQV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025466
S(C1C(NC)CCCC1)c1n2CCCCCc2nn1	PC-id_64648528	280.432	FDNUJGKXIIVJEA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025467
S(CCC1CCCNC1)c1n2CCCCCc2nn1	PC-id_62356020	280.432	QLMRWZKVOGWZJE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025468
S(CCC1C(N)CCC1)c1n2CCCCCc2nn1	PC-id_79576783	280.432	CSTXUSVRASOJKW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025469
S(CCC1NCCCC1)c1n2CCCCCc2nn1	PC-id_61684289	280.432	OORLYGLWGCWCSU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025470
S(CCCC1NCCC1)c1n2CCCCCc2nn1	PC-id_55075991	280.432	SMEPKGVPZUDSEB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025471
S(CCCCNC1CC1)c1n2CCCCCc2nn1	PC-id_55092686	280.432	MECGLNDWCSXCHV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-025472
S(CC(CNC1CC1)C)c1n2CCCCCc2nn1	PC-id_64231793	280.432	GKLMLOJAHUWMNS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-025473
S(CCNC1CCCC1)c1n2CCCCCc2nn1	PC-id_55091982	280.432	ZUIUEPKASLXRFE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025474
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C(c1c2-c(cc1)cc(C(C)C)ccc2)(CCC=C(C)C)C	PC-id_15602622	280.447	PPWOTQXEFVWLEN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025477
C(c1c2-c(c(c1)CC=C)ccc(C(C)(C)C)cc2)(C)(C)C	PC-id_85970805	280.447	HWVXMWJCVLJZIT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025478
CCCCC(=C)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_142734104	280.447	ZQLHUZISGGHDAK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025479
S1C(CCC1)(C(=O)c1sc2c(CCCCC2)c1)C	PC-id_81451030	280.449	DXNRWZNLGDQYDO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-025480
S1C(CCCC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80594699	280.449	UYBMMJCODOSRJY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-025481
CCCCCCCC(c1cc2c(s1)CCCCC2)O	PC-id_115783138	280.469	KFUYQUTZGCRRFM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025482
CCC(CC(c1cc2c(s1)CCCCC2)NN)CC	PC-id_105330949	280.472	KUKHCRVDIURGTA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025483
CCCC(CC(c1cc2c(s1)CCCCC2)NN)C	PC-id_113700784	280.472	CVQMGRQYDGTAOF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025484
CCCCCCC(c1cc2c(s1)CCCCC2)NN	PC-id_113700346	280.472	PCSIWKJBRXPARL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025485
CCCNC1CCCCc2c1cn(c2)CCCSC	PC-id_116099753	280.472	JAYZMEISNCJKBH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025486
CCCNCCCNCc1cc2c(s1)CCCCC2	PC-id_104423006	280.472	WSOCMIADENUEAE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025487
CC(CNCCNCc1cc2c(s1)CCCCC2)C	PC-id_104379307	280.472	QMRHBEQSCUOALK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025488
CCCNCC(NCc1cc2c(s1)CCCCC2)C	PC-id_104395962	280.472	HILIHZQAQCJBAR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025489
CCCNCCN(Cc1cc2c(s1)CCCCC2)C	PC-id_104413372	280.472	OOZYDOCHMUCPOM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025490
CC(NCc1cc2c(s1)CCCCC2)CNC(C)C	PC-id_104396339	280.472	JEDXXEUHLODTRJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025491
CC(NCCCNCc1cc2c(s1)CCCCC2)C	PC-id_104423337	280.472	BKYXVDYHFFMQJE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025492
CCN(CC(NCc1cc2c(s1)CCCCC2)C)C	PC-id_103110109	280.472	DYVANNRLISADJH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025493
CC(NCCNCc1cc2c(s1)CCCCC2)(C)C	PC-id_104378940	280.472	LDMOAFSIOUNPCZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025494
CCN(CCNCc1cc2c(s1)CCCCC2)CC	PC-id_104384932	280.472	ZZQGDEVAAXIADD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025495
CC(NCCN(Cc1cc2c(s1)CCCCC2)C)C	PC-id_104413618	280.472	NXAJOWVRRUFDAC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025496
CCSCCCn1cc2c(c1)CCCCC2NCC	PC-id_116099750	280.472	POUIWPWSXVXNOU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025497
CCSCCn1cc2c(c1)C(NCCC)CCCC2	PC-id_116099751	280.472	OFCQFJOVIZOGCJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025498
NNC(c1cc2c(s1)CCCCC2)CCC(C)(C)C	PC-id_105299900	280.472	BLFALMSLQGIVSV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025499
NNC(c1cc2c(s1)CCCCC2)CCCC(C)C	PC-id_105331193	280.472	UYYMTKKNLGOWLZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025500
NNC(c1cc2c(s1)CCCCC2)C(CC(C)C)C	PC-id_114285084	280.472	ZPAPFGAOULNDFN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025501
s1c2CCCCCCCCCCc2nc1CCCN	PC-id_63524166	280.472	CWTNCVHFFNSGMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025502
s1c2CCCCCCCCCCc2nc1CCNC	PC-id_3548450	280.472	CPROFLLZMNTOPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025503
s1c2CCCCCCCCCCc2nc1CC(N)C	PC-id_63518743	280.472	AOXRHTGMOXCGAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025504
s1c2CCCCCCCCCCc2nc1C(CN)C	PC-id_63524167	280.472	ZJUFFTIHMOHQMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025505
s1c2CCCCCCCCCCc2nc1C(NC)C	PC-id_5152860	280.472	APAKKLAFOOIYLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025506
s1c2CCCCCCCCCCc2nc1CNCC	PC-id_55222540	280.472	PAIIQYSXLBVJSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025507
s1c2CCCCCCCCCCc2nc1C(N)(C)C	PC-id_55222989	280.472	SEODRGCZACDUJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025508
s1c2CCCCCCCCCCc2nc1C(N)CC	PC-id_63526065	280.472	YUEZIXZEJBOKRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025509
s1c2CCCCCCCCCCc2nc1NC(C)C	PC-id_55192837	280.472	KMGATPSQHSEYNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025510
s1c2CCCCCCCCCCc2nc1NCCC	PC-id_63470518	280.472	NZWZBDUNOHIAMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025511
S(C(SC)(SC)c1ccc2-c(cc1)ccc2)C	PC-id_23244830	280.472	YSSQPUBHZNUWAU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025512
C[C@H]1Sc2sc(=S)sc2S[C@@H](C1=O)C	CoCoCo_1665622,PC-id_7233028	280.474	GOKOLZHGEQEQRQ-QWWZWVQMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025513
C[C@@H]1Sc2sc(=S)sc2S[C@H](C1=O)C	CoCoCo_1665623,PC-id_7233027	280.474	GOKOLZHGEQEQRQ-IMJSIDKUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025514
C[C@@H]1Sc2sc(=S)sc2S[C@@H](C1=O)C	CoCoCo_1665624,PC-id_7233026	280.474	GOKOLZHGEQEQRQ-ZXZARUISSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025515
S1C(C(=O)C(Sc2sc(=S)sc12)C)C	PC-id_3917935	280.474	GOKOLZHGEQEQRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025516
[Si](C)(C)(C)C#Cc1c2-c(ccc(C(C)(C)C)cc2)cc1	PC-id_85773801	280.479	DULAFSFYPDPOEL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025517
S1CCCCCCSc2sc(=S)sc12	PC-id_9993843	280.517	PZOZUKKTBPRHBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025519
Clc1c(CN2CCn3c(nnc3)CC2)c(F)ccc1	CoCoCo_1394572,PC-id_26350635,EMOLS-id_232747249,CoCoCo_1394573,MCULE-6443517177	280.728	JFNVWLSIRMZBRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025520
Clc1cc(Nc2n3CCCCCc3nn2)ccc1F	PC-id_20873284	280.728	PIEQJKSRBMAGIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025521
ClC(C(=O)c1c2-c(cc1)ccccc2)c1ccccc1	PC-id_85756771	280.748	IVLGZLPQYLYCMZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-025522
Clc1c2-c(c(/N=N/c3ccc(cc3)C)c1)ccccc2	PC-id_15500212	280.752	SGRIBKZFWWNLAD-FMQUCBEESA-N	00000010100000110110000000000010000000000000000000000000	31-01-025523
Clc1ccc(o1)CNCc1nnc2n1CCCCC2	EMOLS-id_318188902,MCULE-1985291756	280.753	VUDIJBKQUNELOO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-025524
c1(CCn2nc(N)c(Cl)c2)nnc2n1CCCCC2	ZINC22_36644413,TIMTEC591931,MCULE-4679692442,PC-id_45923670,EMOLS-id_27336250	280.757	ZFZRBLZIFKTKMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025525
Cc1c(Cl)c(N)nn1Cc1nnc2CCCCCn12	CoCoCo_6788380,PC-id_45602155,EMOLS-id_27336112,MCULE-7340131242,TIMTEC454278,ZINC22_35655672	280.757	SOLXOVBEVOPTRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025526
Clc1cccc(n1)Sc1nnc2n1CCCCC2	EMOLS-id_314613440,PC-id_60726337	280.776	DBBOYZSDYDIAQD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-025527
Clc1ccc(Sc2n3CCCCCc3nn2)nc1	PC-id_66218885	280.776	MTBZOBHVZXHSIC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-025528
Clc1nccc(c1)Sc1nnc2n1CCCCC2	PC-id_63778832,EMOLS-id_314252857	280.776	PGNLAADFUBOVFH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-025529
ClCC/C=Cc1[nH]c2c(c1)CCCCCC2C(=O)N	PC-id_143751734	280.793	ILTPRFOQMRRABM-DAXSKMNVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025530
ClCC/C=Cc1[nH]c(c2c1CCCCC2)CC(=O)N	PC-id_143751699	280.793	RENIXDHBMCZSOM-YWEYNIOJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025531
Clc1sc(Cn2cc3C(N)CCCCc3c2)cc1	PC-id_83208032	280.816	KVAGJLJJZIELAQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-025532
ClC(c1sc2c(CCCCC2)c1)Cc1[nH]ccn1	PC-id_61085665	280.816	QZSRXZMSPXNYIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025533
C1=CC=C(C=C1)CN2C3=CC=C(C=CC3=NC2=O)[N+](=O)[O-]	PC-id_154114954	281.08	LLHXFCPZFXPZQI-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-025534
FC1(F)Cc2ncnn2C(C(C1(F)F)(F)F)(F)F	SCHEMBL16253561,PC-id_117709848	281.106	VGXWVSPUXPWFDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025535
FC1(F)Cc2nncn2C(C(C1(F)F)(F)F)(F)F	SCHEMBL18501342	281.106	RYWUEUSPFYCKOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025536
FC1(F)CC(F)(F)C(C(c2n1cnn2)(F)F)(F)F	SCHEMBL18501340	281.106	BMOUCGMTRKROPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025537
FC1(F)CC(F)(F)C(C(c2n1ncn2)(F)F)(F)F	SCHEMBL16253579,PC-id_117709864	281.106	VASOIQYPTLEKIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025538
FC1(F)Cn2cnnc2C(C(C1(F)F)(F)F)(F)F	SCHEMBL18501356	281.106	CPLMPVCRTUGWQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025539
FC1(F)Cn2ncnc2C(C(C1(F)F)(F)F)(F)F	SCHEMBL16253560,PC-id_117709847	281.106	ADOZUXUFNGODFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025540
CC1CC2=C(C=CS2)N(C(=O)C1)C(=O)OC(C)(C)C	PC-id_164078906	281.109	WVYQULNZIQWPBA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025541
CN1C/C(=CC#N)/c2cc(Br)nn2CC1=O	EMOLS-id_337791146	281.109	OIJXTPSMNFZNAR-FARCUNLSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025542
Brc1cc(C(C)C)cc2c(occ2C)c1=O	PC-id_14616511	281.145	UGHVEWRUEFOURV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-025543
CC(c1ccc2c(c(=O)c1)oc(c2Br)C)C	PC-id_102239292	281.145	JGWVJGZKRPNHKB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-025544
CCn1cc(c2=CCC(=CC=c12)Br)C(=O)N	PC-id_143503472	281.148	NJLSGPZVIBHMKS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-025545
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCO	PC-id_155203704	281.174	ODXBQLSMVGOAQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025546
CC(C)N1C2=C(C(CCCCC2)OCC(=O)OC)N=N1	PC-id_155054488	281.174	MLRSODZLFHRFMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025547
c1(C(=O)C(Cl)Cl)ccc2-c1c(cc(cc2C)C)C	SPECS-id_AO-840/42717698,MCULE-2525955302,EMOLS-id_194769419,PC-id_91824556	281.177	LXMJFZXQWKLLJJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025548
FC(c1[nH]c(c2c1CCC#CCC2)C(F)(F)F)(F)F	PC-id_138968733	281.197	BIHARUIEEQFKBK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-025549
O=C(O/N=C(/c1ccc2-c1ccccc2)C(F)(F)F)C	PC-id_71674231,CNP0454237	281.23	KXKIMWFCXLCHQC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025550
CCOC(=O)c1[nH]c(c2c1OC=CCO2)C(=O)OCC	PC-id_69854192,SCHEMBL6655176	281.261	ANGKFRJFWPVNCH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-025551
C1CCc2noc(=O)n2C(C1)CC1C=C(NO1)C(=O)O	PC-id_90919418	281.265	BPYARXFLCIBJNK-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-025552
O1N=C(CC1CC1n2c(noc2=O)CCCC1)C(=O)O	PC-id_9795719,SCHEMBL6798741	281.265	BILPJRXGKUEXOV-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-025553
Fc1cccc(c1)CC(=O)c1c(=O)[nH]c2-c1ccccc2	PC-id_59563874,SCHEMBL3796533	281.281	KTSILVHPZOHWOW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-025554
CC(=O)OC1N=C(NC(=O)C)c2c(NC1=O)scc2	TIMTEC27561	281.288	ANBHSQDKNOJJES-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-025555
c1(C(F)(F)F)nn(c2OCC(CSC)NCc12)C	EMOLS-id_264817801,MCULE-2999478834	281.298	KUWYOKRTOFYOJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025556
OC(C(F)(F)F)CSc1nnc2n1CCCCC2	PC-id_63901458,EMOLS-id_314630986	281.298	WGPUSZMPTUDZEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025557
FC(F)n1c(ncc1)Cn1cc2C(O)CCCCc2c1	PC-id_83209076	281.301	CAVAQOPIJGFIAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025558
CC(C)(C)OC(=O)N1CCCc2oc(cc2C1)C(=O)O	MCULE-4594306692,EMOLS-id_277374082	281.304	WDVVOFQWNNNNMR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025559
CC(C)(C)OC(=O)N1CCCc2occ(C(=O)O)c2C1	MCULE-7493847686,EMOLS-id_195323280	281.304	GLZZBRKTAFSEBM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025560
o1c2CCN(CCc2cc1C(=O)O)C(=O)OC(C)(C)C	PC-id_84812090	281.304	MZRJRWZRQHTJQS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025561
OC(=O)c1cc2c([nH]1)C=CC(=CC2)OCc1ccccc1	PC-id_142936243	281.306	PBHOIDMDPZTOQO-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-025562
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)COC	ZINC22_91434903,EMOLS-id_46039197,MCULE-5707892671,PC-id_72857211	281.308	JYKZVHVXKVGHKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025563
CC(C)(C)OC(=O)C1CCn2c(CN1)ncc2C(=O)O	MCULE-1192519058,EMOLS-id_76733145,PC-id_118798361	281.308	OZGROJYUEPNWNL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025564
CC(C)(C)OC(=O)N1Cc2ccnn2CCC1C(=O)O	EMOLS-id_50578996	281.308	BRPQHDOIQJBWEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025565
CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](C(=O)O)C1	PC-id_97111610,ZINC22_91303448	281.308	NIRFFGUWLCEYLP-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-025566
CC(C)(C)OC(=O)N1Cc2ccnn2C[C@H](C(=O)O)C1	ZINC22_91303447,PC-id_97111609,EMOLS-id_331051436	281.308	NIRFFGUWLCEYLP-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025567
CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](C(=O)O)C1	ZINC22_687765554	281.308	NLRRXBCRISPKTR-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025568
CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](C(=O)O)C1	ZINC22_687765555	281.308	NLRRXBCRISPKTR-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-025569
CC(C)(C)OC(=O)N1CCc2cc(nn2CC1)C(=O)O	EMOLS-id_337805311	281.308	OOKOZOIARWNYCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025570
CC(C)(C)OC(=O)N1CCc2c(C(=O)O)ncn2CC1	EMOLS-id_49999017,MCULE-6419181088,ZINC22_306134558	281.308	NRQFIFUIXXHARO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025571
CC(C)(C)OC(=O)N1CCc2ncc(C(=O)O)n2CC1	EMOLS-id_44478094,PC-id_71305679,MCULE-4597790966,ZINC22_91303444	281.308	UAUXLRRLJMCBCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025572
CC(C)(C)OC(=O)N1CCC(C(=O)O)n2nccc2C1	EMOLS-id_337804799	281.308	UYBUTAIRJPNJEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025573
CC(C)(C)OC(=O)N1CC(Cn2ccnc2C1)C(=O)O	EMOLS-id_317396800,MCULE-3072715744	281.308	NLRRXBCRISPKTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025574
CC(C)(C)OC(=O)N1CCCn2cnc(C(=O)O)c2C1	PC-id_57635635,MCULE-8637861682,EMOLS-id_336522618,SCHEMBL1175786	281.308	YYSWUNYOMMQLLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025575
CC(C)(C)OC(=O)N1CC(Cn2nccc2C1)C(=O)O	MCULE-2722559744,EMOLS-id_44478352,PC-id_71305681	281.308	NIRFFGUWLCEYLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025576
CC(C)(C)OC(=O)N1CCCn2nc(cc2C1)C(=O)O	PC-id_90462660,SCHEMBL16102411,MCULE-2698196579,EMOLS-id_43472268,ZINC22_95628348	281.308	BAOVIKKQYWXNLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025577
CC(C)(C)OC(=O)N1CCCn2ncc(C(=O)O)c2C1	EMOLS-id_317748715	281.308	AQSCSKNABOUXCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025578
CCC(NC1CCCCn2nc(cc12)C(=O)O)C(=O)O	EMOLS-id_259824794,MCULE-7830689247	281.308	NSJDDIQYBKXZAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025579
COC(=O)CCCn1cc2c(n1)CCN(CC2)C(=O)O	PC-id_141114039	281.308	KGWIDJKZQZGPMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025580
COC(=O)COCC(=O)N1CCCc2c(cnn2C)C1	ZINC22_952892947,MCULE-4080756306,EMOLS-id_316178260	281.308	GQYZZBWAPCXEIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025581
O1C(CCC1C(=O)O)Cn1nc2n(CCCCC2)c1=O	PC-id_62299055	281.308	VQXWMBBHBNFKMW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025582
o1nc2n(C(CCCC2)CC/C=C/C(N)C(=O)O)c1=O	PC-id_22901401	281.308	VTJQOOAWCOFLIJ-XVNBXDOJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025583
o1nc2n(C(CCCC2)C/C=C/CC(N)C(=O)O)c1=O	PC-id_23500534,SCHEMBL6796801	281.308	PKOHTXGALAOQLK-HNQUOIGGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025584
o1nc2n(C(CCCC2)CC=CCC(N)C(=O)O)c1=O	PC-id_59908784	281.308	PKOHTXGALAOQLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025585
o1nc2n(C(CCCC2)CCC=CC(N)C(=O)O)c1=O	PC-id_59923017	281.308	VTJQOOAWCOFLIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025586
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CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccco1	EMOLS-id_319570326	281.331	FZYTUVAYBTXMFF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-025640
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cocc1	MCULE-6037245011,EMOLS-id_320197177	281.331	ONDHWDVWWVROJL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-025641
CC(=O)CCC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625489	281.331	LVEBCYJPROGBAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025642
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O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1C[C@H]1[N+](=O)[O-]	PC-id_94137832,ZINC22_47297394	281.331	SMERGAXTSKZJEE-VXNVDRBHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-025645
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O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1C[C@@H]1[N+](=O)[O-]	ZINC22_47297392,PC-id_94137830	281.331	SMERGAXTSKZJEE-APPZFPTMSA-N	00100000100000000101000000000010000000000000000000000000	31-01-025647
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[O-][N+](=O)C1CC1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_35711110,MCULE-5126488422,PC-id_47213260	281.331	SMERGAXTSKZJEE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-025649
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1c[nH]cn1	EMOLS-id_319550384	281.334	PLDINUPGIQXIMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025650
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CCOC(=O)[C@@](C)(O)CN1CCCc2c(cnn2C)C1	ZINC22_411859718	281.351	VEEZNOMRKIWSNP-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025665
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CCC(NC(=O)Nc1nc2c(s1)CCCCC2)CC	PC-id_112825091	281.417	LKMKQCRNNWQJEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025871
CC(C(=O)Nc1sc2c(n1)CCCCCC2)C(N)C	MCULE-6791977376,EMOLS-id_302317611,PC-id_120499131	281.417	QNLKHKMAGQNXQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025872
CCN(CC(=O)Nc1nc2c(s1)CCCCC2)CC	PC-id_94407205	281.417	OLZWAWSUEWLWNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025873
CNCCCC(=O)Nc1sc2c(n1)CCCCCC2	PC-id_119743801	281.417	XTGAJJNIPALTMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025874
CNCC(C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_301898306,PC-id_119743819,MCULE-8845654390	281.417	PEODEXSHQLGEFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025875
N[C@H](C(=O)Nc1sc2c(n1)CCCCCC2)C(C)C	MCULE-4481379882,EMOLS-id_301460529,PC-id_119300573	281.417	ADKKHJLWVIMCTR-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025876
O=C([C@H](C(C)(C)C)N)Nc1nc2c(s1)CCCCC2	PC-id_119700453,MCULE-5402374351,EMOLS-id_301830069	281.417	AOOVOFVAXWJVNE-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025877
O=C(C(N)(C)C)NCCc1nc2c(s1)CCCCC2	EMOLS-id_320181073,MCULE-5047087971	281.417	FGLYQODYIYMDDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025878
O=C(NC(C(C)C)C)Nc1nc2c(s1)CCCCC2	PC-id_112825184	281.417	JZTKTCZLYBIALW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025879
s1c2C(NC)C(=O)N(CCc2cc1)CN(CCC)C	PC-id_20590189	281.417	DTHMVHIFLNFKDH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025880
S(C1C(O)CCCCC1)c1n2CCCCCc2nn1	PC-id_65684866	281.417	PNTUUNIYVKHMTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025881
S(CC1(O)CCCCC1)c1n2CCCCCc2nn1	PC-id_61518967	281.417	VBVISPFTKVMRGV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025882
CC(C1SCC(C1)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102000567	281.42	RTDJJXIMGSGLHV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-025883
S(CCC(C)(C)C(=N)N)c1n2CCCCCc2nn1	PC-id_65251411	281.42	HHRYARWEERMROX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025884
S(CCN1CCNCC1)c1n2CCCCCc2nn1	PC-id_61684563	281.42	DYUKRTMOTFVITG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025885
C[Si](C)(C)CCOCn1cc2C(=O)CCCNc2n1	PC-id_136378645,SCHEMBL15303770	281.426	UKKMKKSPEIOVML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025886
Cc1cc(C)c(cc2-c1ccc2C=NC(C)(C)C)C(C)C	PC-id_67702770,SCHEMBL8821571	281.435	VDNBVHYDAAVRPS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025887
C[NH+](CCNC(=O)c1sc2c(c1)CCCCCC2)C	GD-id_ZINC16605486,PC-id_27233784	281.437	IPPAAFFFDWUNEC-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-025888
C[NH+]([C@@H](CNC(=O)c1cc2c(s1)CCCCC2)C)C	GD-id_ZINC46275105	281.437	ZBVJBJCAQWOTFP-LLVKDONJSA-O	00000000100000000100000000000010000000000000000000000000	31-01-025889
O=C(c1cc2c(s1)CCCCC2)N1CCSCC1	PC-id_86996412	281.437	PKJMEHHNIVCGOP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025890
CCCNC(c1cc2c(s1)CCCCC2)COCC	PC-id_105007926	281.457	TZZDYKBRVOGMRA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025891
CCCOCC(c1cc2c(s1)CCCCC2)NCC	PC-id_105008253	281.457	MYIHHGUYXMQDCP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025892
CCNC(c1cc2c(s1)CCCCC2)COC(C)C	PC-id_105012960	281.457	LWFKMIPGYLTOAE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025893
COC(CCC(c1cc2c(s1)CCCCC2)N)(C)C	PC-id_103031985	281.457	TXOGAFDWWKHPCX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025894
COCCC(C(c1cc2c(s1)CCCCC2)NC)C	PC-id_105044607	281.457	ALNKIGYGBHLEGL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025895
COCCCC(c1cc2c(s1)CCCCC2)NCC	PC-id_105054736	281.457	SEQLSIDZJTYSKB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025896
s1c(C(O)C(CC(C)C)CN)cc2c1CCCCC2	PC-id_65188300	281.457	LEAHKQHPFDUEIC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-025897
S1CCN(CCSc2sc(=S)sc12)C	PC-id_10379011	281.505	XPCVZNZMXQABDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025898
S1SSSSc2c1n(C(C)(C)C)cc2	PC-id_86011609	281.505	PUYBEIJAKJJIEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025899
S1SSSSc2c(n(c(c12)C)CC)C	PC-id_6425456	281.505	NHEIEGSJABYDNF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025900
Clc1ccc2-c(c(c(=O)n2CC(=O)O)C(=O)O)cc1	PC-id_12852676,SCHEMBL11279146	281.649	RGQOMBSAOXGDPF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025901
Clc1ccc(C(=NO)c2c3-c(cc2)ccccc3)cc1	PC-id_85756774	281.736	LURSWJHBKBTXAF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-025902
Clc1c(NC(=O)c2c3-c(cc2)ccccc3)cccc1	SCHEMBL7100072,PC-id_69988828	281.736	UAQYMBVOOSVWRN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-025903
Clc1nc2-c(c1C=Nc1ccccc1N)ccccc2	PC-id_102393570	281.74	QVRNGGFGFFWWHX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-025904
CCOC(=N)c1nn2c(c1)/C(=C(/C=N)Cl)/NCCC2	SCHEMBL19737283	281.741	YLQGGQCBPQHCSU-RQBSZVOSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025905
ClC1=CCCN(C1)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_316596859	281.741	KCDKOOOMSSHIHM-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-025906
C=N/C(=CC(=C(F)/C)c1cnn2c1CCCCC2)/Cl	SCHEMBL19719280	281.756	WWOVWRGLXJFAOP-CONYBLHQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025907
Clc1ccc(nn1)Sc1nnc2n1CCCCC2	PC-id_43243244,EMOLS-id_313983477	281.764	YMROPRDJKGZEDR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-025908
Clc1cncc(n1)Sc1nnc2n1CCCCC2	PC-id_43243245,EMOLS-id_313983733	281.764	YNKHGYMMYZSMNR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-025909
Clc1cnc(nc1)Sc1nnc2n1CCCCC2	EMOLS-id_48248882,PC-id_75376365	281.764	MUUHXXAOANORMT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-025910
Clc1nccc(n1)Sc1nnc2n1CCCCC2	PC-id_60726336,EMOLS-id_314521815	281.764	NXYLBFMWHMLQOC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-025911
Clc1nccnc1Sc1n2CCCCCc2nn1	EMOLS-id_314150726,PC-id_61696447	281.764	KAKLJLRHMNMQDM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-025912
Clc1ncnc(c1)Sc1nnc2n1CCCCC2	PC-id_60726366,EMOLS-id_314922051	281.764	ZAKCCTVXPULEEU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-025913
ClC1CCC(CC1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319163486	281.778	FMEFMVGJLWUTSI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-025914
ClC1CCC(CC1)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319478795	281.781	OAHUDBBKJOYOBE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-025915
Clc1sc(Cn2cc3C(O)CCCCc3c2)cc1	PC-id_83208966	281.801	WZVYIXALLJJBPR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-025916
CC1CN(Cc2c(C1)[nH]nc2)Cc1sccc1Cl	EMOLS-id_318811626	281.804	NMGZNSNKNGZCJA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-025917
C1CCC2=NN=C(N2CC1)S(=O)(=O)CC3=NOC=C3	EMOLS-id_317274044,PC-id_154736544,MCULE-1255323980	282.079	ZRYSUTWDKVQXSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025919
CN1C(=CN=N1)S(=O)(=O)N2CCCC3=C(C2)C=NN3	MCULE-1325296655,EMOLS-id_317740230,PC-id_154785793	282.09	HLIYDHOTNNMPNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025920
CC1(COC2=CSC=C2OC1)COC(=O)CCC=C	PC-id_148495875	282.093	MJRDDNVILJJLBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025921
FC1(F)Cc2nnnn2C(C(C1(F)F)(F)F)(F)F	SCHEMBL16255524,PC-id_117711213	282.094	VPGPMNLYUNICCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025922
FC1(F)CC(F)(F)C(C(c2n1nnn2)(F)F)(F)F	SCHEMBL16255519,PC-id_117711208	282.094	AHGNNINPAHUBQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025923
FC1(F)Cn2nnnc2C(C(C1(F)F)(F)F)(F)F	PC-id_117711204,SCHEMBL16255515	282.094	LNQITHRATGWKRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025924
CC(C)(C)c1ccc2-c(ccc2C(C(F)(F)F)O)cc1	PC-id_163647991	282.123	IJWODFSLWIDOLA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025925
CCCCc1ccc2-c(ccc2C(C(F)(F)F)O)cc1	PC-id_164109239	282.123	XVLQGFHSRDLVOP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025926
CN1c2cc(nn2CCC(C1=O)N=C)CC1CC1(F)F	PC-id_163783336	282.129	MQMBZZGLWOUZGE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-025927
c1ccc2-c(c(c(=O)[nH]2)COCCBr)cc1	PC-id_91589782	282.133	QSIXMNOIGVSTRC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025928
CCc1nc2n(c1NC)C=C(C=C(C2)C)Br	SCHEMBL19189847	282.18	MGIZTFXHUHEMOA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-025929
FC(Cn1nc(c2c1CC=CC=C2)C(F)(F)F)(F)F	PC-id_101927545	282.185	WEWSTHAXNXAYIQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-025930
CCn1c2c(C(C(CN(CC2)C(C)C)OC)OC)nn1	PC-id_164167209	282.206	ZSEKFMMFAMJSDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025931
CCN1C2=C(C(C(N(CCC2)C(C)C)OC)OC)N=N1	PC-id_153545509	282.206	UUZCLIUSWKZTMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025932
CCC(=O)O[C@H](C(F)(F)F)c1ccc2-c1ccccc2	PC-id_101151970	282.258	ZSHGDGPKGRWPIV-AWEZNQCLSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025933
CCOC(=O)[C@@H](C(F)(F)F)c1ccc2-c1ccccc2	PC-id_101362049	282.258	SCFHUXCZTHMOGG-ZDUSSCGKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025934
Fc1ccc(NC(=O)Nc2nc3-c(n2)ccccc3)cc1	PC-id_85672438	282.272	VTLOPIZWLSGQHT-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-025935
COCC(C(=O)O)NC(=O)c1noc2c1CCCCC2	PC-id_121877390,MCULE-9109506317,EMOLS-id_72466928	282.292	YHFIFHKWCSKIIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025936
COC(C(=O)O)CNC(=O)c1noc2c1CCCCC2	PC-id_121859614	282.292	ZEQBEMFDDIIYMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025937
OC(=O)COCCNC(=O)c1noc2c1CCCCC2	EMOLS-id_72448352,MCULE-2464473601,PC-id_121868107	282.292	XPQZFNRAELIORI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025938
O=C(c1onc2c1cccc2)N1CCCc2c(C1)cco2	EMOLS-id_320200858,MCULE-8305094621	282.294	MUCAMWYKRNGSQA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-025939
OC(=O)/C/1=C/C=CO/C=CC=C/C=C\n2c(C=N1)ccc2	PC-id_143382219	282.294	DCYRFFHRVJDNEC-NOYIFGHCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-025940
CC(C)(C)OC(=O)N1CCCn2nnc(C(=O)O)c2C1	PC-id_71305670,EMOLS-id_44477726,ZINC22_91303424,MCULE-1859398181	282.296	AOKLVSZATRRRDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025941
O1C(CC(O)C1CO)Cn1c2NC=NC[C@@H](O)c2nc1	PC-id_53966205	282.296	JOKLQZXBFFHSKL-OWTMBLHMSA-N	00000010100000000111000000000010000000000000000000000000	31-01-025942
O1C(CC(O)C1CO)Cn1c2NC=NCC(O)c2nc1	PC-id_76088266	282.296	JOKLQZXBFFHSKL-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-025943
O=c1n2CCCCCc2nn1CC(NC(=O)C)C(=O)O	PC-id_64581107	282.296	UESTUPNHMGLOJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025944
O=C1Nc2cnn(c2OC[C@@H]1N(C(C)(C)C)C(=O)O)C	SCHEMBL19641552	282.296	QBKGEZSTYMIHBF-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025945
O(C(C)(C)C)C(=O)N1CCCn2c(nnc2C(=O)O)C1	PC-id_84083031	282.296	WXOVUQDJZBOFED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025946
O(C(C)(C)C)C(=O)N1CCn2c(nnc2C(=O)O)CC1	PC-id_84083030	282.296	OUKNEMWKOXSTDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025947
O=C(N1CCn2c(CC1)nc(n2)C(=O)O)OC(C)(C)C	SCHEMBL17112958,PC-id_118394519	282.296	ICYVZBGCDILIDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025948
O=C(OC(C)(C)C)N[C@H]1COc2c(NC1=O)cnn2C	SCHEMBL18366357	282.296	URAHVMAGXPEIPW-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025949
OC(=O)NC1CCn2c(N(C1=O)C)cc(n2)C(O)(C)C	SCHEMBL19641536	282.296	FCBMZWPHMGOBHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025950
COc1ccc(cc1)Cc1c(=O)nccc2c1nc([nH]2)N	PC-id_118899489	282.297	PMTNFLZMPSXFCM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-025951
COc1ccc(cc1)Cc1c(=O)[nH]ccc2-c1nc(n2)N	SCHEMBL17537650	282.297	ACXFVWYXVPNVKY-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-025952
O=C(c1ccc2c(n1)cn[nH]2)N1CCCc2c(C1)cco2	EMOLS-id_319663660	282.297	AVZFOWYZQPPTHW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-025953
O=C(c1ccc2n(c1)ncn2)N1CCCc2c(C1)cco2	EMOLS-id_320005580,MCULE-3423002268	282.297	WDQIKXJETULMPJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-025954
O=C(c1cccc2c1[nH]nn2)N1CCCc2c(C1)cco2	EMOLS-id_177231231,MCULE-5872801000	282.297	YXPFJYIRBOWIEV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-025955
O=C(c1cccc2n1cnn2)N1CCCc2c(C1)cco2	EMOLS-id_319960349,MCULE-3524894422	282.297	QJMMHRQWIONGDP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-025956
O=C(c1cccn2c1nnc2)N1CCCc2c(C1)cco2	EMOLS-id_320068649,MCULE-9269491683	282.297	IKQSCZQMKFQMND-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-025957
O=C(c1ccnc2c1cn[nH]2)N1CCCc2c(C1)cco2	EMOLS-id_319874637	282.297	TURBCSVBRWZEIM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-025958
O=C(c1onc2c1cccc2)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318945089	282.297	FTWSMAXITYZEJJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-025959
c12CN(CCCn1nc(C#N)c2)C(=O)c1ccc(nc1)N	ZINC22_584890024,EMOLS-id_177402723,MCULE-6092980871	282.301	APJYRYAOPNWNHE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-025960
Cn1nc(C#N)c2c1CN(C(=O)c1ccnnc1)CCC2	EMOLS-id_44366552,PC-id_97515465,ZINC22_96254413	282.301	GAIBVEFAVKEDQP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-025961
N#Cc1cccc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102169961	282.301	WKTUIBBJMVEPSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025962
N#Cc1ccc(cc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102170036	282.301	LPLUZAZANAHAIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025963
O=C(c1ccc2c(n1)cn[nH]2)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318826349	282.301	PIGKHYYOCQGOOD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-025964
O=C(c1ccc2n(c1)ncn2)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319416999	282.301	BSAIOKUFGUQRQY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-025965
O=C(c1cccc2n1ncc2)N1CCCn2c(C1)cnn2	EMOLS-id_318853247	282.301	BATQQCDEXWWGGG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-025966
O=C(c1cccn2c1nnc2)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319597041	282.301	NEIXZHVSKCYWDY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-025967
Cc1cccc(/C=N/NC2=NNC(=N)Cc3ncnn23)c1	TOSLab_4818,ZINC22_3772477,EMOLS-id_207352765,PC-id_17037418,TOSLab_7307	282.304	NKMVAJFSHHZLKR-FRKPEAEDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-025968
n12c(nnc1)CC(=NN=C2NN=Cc1cc(ccc1)C)N	PC-id_3410575	282.304	OMHRLCOFYMHJKS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-025969
n12ncnc1CC(=N)NN=C2NN=Cc1cccc(C)c1	MCULE-5022603975,PC-id_1493518	282.304	NKMVAJFSHHZLKR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-025970
C/C(=C(/F)C(=O)O)/C=C/C=C/c1ccc2-c1ccccc2	CHEMBL106632	282.309	GMOIUNOGGRBLDV-ZYGGPICOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025971
F/C(=C(C=CC=Cc1c2-c(cc1)ccccc2)/C)/C(=O)O	PC-id_23257924	282.309	GMOIUNOGGRBLDV-OGOQYJORSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025972
F/C(=C(/C=C/C=C/c1c2-c(cc1)ccccc2)C)/C(=O)O	PC-id_23257925	282.309	GMOIUNOGGRBLDV-SIILBTGWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025973
FC(=C(C=CC=Cc1c2-c(cc1)ccccc2)C)C(=O)O	PC-id_53846233	282.309	GMOIUNOGGRBLDV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025974
Fc1cc(Cn2cc3CCCCC(=O)c3c2)cc(c1)C#N	PC-id_83206256	282.312	ZASFDUJSILHWNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-025975
Fc1c(Cn2cc3CCCCC(=O)c3c2)ccc(c1)C#N	PC-id_83206672	282.312	YIEMWUANQUFYSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-025976
Fc1c(Cn2cc3CCCCC(=O)c3c2)cc(cc1)C#N	PC-id_83206681	282.312	OEYCQEJGRWKSRC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-025977
N#Cc1ccc(cc1Cn1cc2c(c1)CCCCC2=O)F	PC-id_107906579	282.312	CTQDBOIUQIWZBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-025978
N#Cc1cccc(c1F)Cn1cc2c(c1)CCCCC2=O	PC-id_107119093	282.312	PYOYUAIPWBUOKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-025979
N#Cc1cc(ccc1F)Cn1cc2c(c1)CCCCC2=O	PC-id_107883214	282.312	RZXNCEAXDMEGDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-025980
Fc1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1	PC-id_51167036	282.316	GPMPYHMILQMYGJ-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025981
Fc1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1	PC-id_75619601	282.316	GPMPYHMILQMYGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025982
Fc1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1	MCULE-1845166026,PC-id_72036148,EMOLS-id_43879278	282.316	HYYVLNJHSGUTND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025983
Fc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1	PC-id_8275299,CoCoCo_3456347	282.316	HYYVLNJHSGUTND-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025984
Fc1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	CoCoCo_3456301,PC-id_6031754	282.316	XSBJEEJWXFSGTA-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025985
Fc1ccc(C=C(c2n3c(CCCCC3)nn2)C#N)cc1	MCULE-9823559514,EMOLS-id_26450204,PC-id_4187873	282.316	XSBJEEJWXFSGTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025986
Fc1ccc(/C=C(/C#N)c2nnc3CCCCCn23)cc1	ChEMBL-DNDi_CHEMBLF1252-0058,PC-id_21176664,CoCoCo_3456302,EMOLS-id_45530289	282.316	XSBJEEJWXFSGTA-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-025987
N#C/C(=C/c1cccc(c1)F)/c1nnc2n1CCCCC2	CoCoCo_3456348,PC-id_97965722	282.316	HYYVLNJHSGUTND-LCYFTJDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-025988
NCCOCCSC1=CC(=O)c2c(CC1=O)cno2	PC-id_144380239	282.316	KFXJCTAIZFHZBP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-025989
OC(=O)c1nc2CCCCN(C(=O)OCC=C)c2s1	EMOLS-id_331249195	282.316	MHPKRNXMXZRVRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025990
OC(=O)[C@H](C/C=C/C[C@H]1CCCCc2n1c(=O)on2)[NH3+]	PC-id_142113408	282.316	PKOHTXGALAOQLK-MRSNMJRISA-O	00000000100000000101000000000010000000000000000000000000	31-01-025991
c12C(=O)NCCCc1nc(NC(=O)CNC(=O)C)s2	PC-id_72720008,MCULE-4845859190,ZINC22_96124398,EMOLS-id_48619048	282.319	XDDMXIMSBMKKON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025992
Cc1ccc(o1)S(=O)(=O)N1CCCn2c(C1)cnn2	MCULE-2837186941,EMOLS-id_319832945	282.319	SDMBATFXFLAUQY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-025993
Cn1nnc(c1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_318805595	282.319	GLWHNVYFQNTEMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025994
Cn1nncc1S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99309029	282.319	CMVIWLGZAABNHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025995
Cc1[nH]cnc1S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_318788024	282.322	LWBQFTIRJVHNHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-025996
c1ccc2-c(c(cc2)/C=C/2C=C(c3ccccc23)C=O)cc1	PC-id_134940604	282.335	WHQAJXWJDWSAAO-SFQUDFHCSA-N	00000011100000100110000000001010000000000000000000000000	31-01-025997
O=C(c1c2-c(cc1)ccccc2)c1c2-c(cc1)ccccc2	PC-id_14043869	282.335	ACUIVHNSIWCAFR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025998
O=C(c1c2-c(cc1)ccccc2)c1ccc2-c(cc1)ccc2	PC-id_15496571	282.335	LQBIHMBVYBDCDF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-025999
O=C(c1cc2-c(c1)ccccc2)c1cc2-c(c1)ccccc2	PC-id_101223559	282.335	NMMPWTCISIOGRW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026000
O=Cc1cc(c2-c1ccccc2)/C=C/1C=Cc2c1cccc2	PC-id_101565321	282.335	IOYQIWIOYPVFJF-FOWTUZBSSA-N	00000011100000100110000000001010000000000000000000000000	31-01-026001
S1C(=Cc2c(C=C1C(=O)OC)csc2)C(=O)OC	PC-id_86135536	282.335	JCQDNWAYALNKIV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026002
c1(c2CCCCCc2on1)C(=O)N1CCc2ccccc12	TIMTEC211384,MCULE-2015235365,PC-id_17254342,CoCoCo_2401380,EMOLS-id_16234763,ZINC22_6999993	282.337	IDTGAMWXZANNES-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026003
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCCC=C2	SCHEMBL366028,SCHEMBL366029,PC-id_66667426	282.337	VRUOQJKPGVPBQB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-026004
O=C1c2c(CCCC1)cn(c2)CC(=O)Nc1ccccc1	PC-id_83206671	282.337	QWDQKAGHZCPLAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026005
O=C(N1CCCC1)CNC(=O)c1c2-c(cc1)ccccc2	PC-id_67117073,SCHEMBL1672799	282.337	JNOTUQHJGOQSCI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026006
c12CCN(CCc1[nH][nH]c2=O)CC1(COCCNC1)O	PC-id_70761866,MCULE-6590622075,EMOLS-id_43589673	282.339	UJGJJRSDLUZNKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026007
s1c2c(CCCCCC2)c(c1N)C(=O)c1ccccc1	PC-id_54581559	285.404	FYFFGISRQPBPCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027308
CC1Cc2nnc(CO)n2CCN1C(=O)OC(C)(C)C	EMOLS-id_266611481,MCULE-5842368660	282.339	GUFJCXKDGXYNPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026008
CC(CCNC(=O)Cn1nc2n(c1=O)CCCCC2)O	PC-id_111433813	282.339	NSYKDXGEEULVCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026009
CCC(NC(=O)Cn1nc2n(c1=O)CCCCC2)CO	PC-id_110886262	282.339	AFPTZIJULFPUKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026010
C[C@@H]1Cc2nnc(CO)n2CCN1C(=O)OC(C)(C)C	ZINC22_503852587	282.339	GUFJCXKDGXYNPK-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026011
C[C@H]1Cc2nnc(CO)n2CCN1C(=O)OC(C)(C)C	ZINC22_503852588	282.339	GUFJCXKDGXYNPK-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-026012
CN1C(=O)C(N)CCn2c1cc(n2)CCOCCOC	SCHEMBL18367394	282.339	MHVNESDWETWFKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026013
CN(Cc1nnc2CCOCCn12)C(=O)OC(C)(C)C	EMOLS-id_336517826	282.339	WHRXNKPGJFJTGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026014
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(CC(=O)O)C2	PC-id_100282942,ZINC22_223629712	282.339	NFNDCXRDGOOQKM-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026015
CN(C)C[C@H](O)c1cc2n(n1)CCCN(CC(=O)O)C2	ZINC22_223629762,PC-id_100282952	282.339	NFNDCXRDGOOQKM-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026016
CN(C)CC(O)c1cc2CN(CC(=O)O)CCCn2n1	EMOLS-id_55703868,PC-id_91795088,MCULE-3228822099	282.339	NFNDCXRDGOOQKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026017
N#CC(c1ccc2-c(cc1)ccc2C#N)(c1ccccc1)C	PC-id_10564844	282.339	ZHOPTLBPXAOHTA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-026018
O=c1n2CCCCCc2nn1CC(=O)N(CCO)CC	PC-id_78855385	282.339	KFDXPGUMDAGDKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026019
Oc1n[nH]c2c1CCN(C[C@]1(O)CNCCOC1)CC2	PC-id_96401308,ZINC22_77470172	282.339	UJGJJRSDLUZNKY-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026020
Oc1n[nH]c2c1CCN(C[C@@]1(O)CNCCOC1)CC2	PC-id_96401309,ZINC22_77470173	282.339	UJGJJRSDLUZNKY-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026021
OCCC(NC(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_112314219	282.339	IBTHONULFSQMHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026022
OCC(CNC(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_112371935	282.339	BZLWDFXZPFMYQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026023
OCC(N(C(=O)Cn1nc2n(c1=O)CCCCC2)C)C	PC-id_109906614	282.339	CZWOUNFUHVKKEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026024
OCC(NC(=O)Cn1nc2n(c1=O)CCCCC2)(C)C	PC-id_110000553	282.339	SGMGELAENCYMKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026025
c12CN(CCCn1nc(C#N)c2)C(=O)[C@H]1C[C@H]2C[C@@H]1C=C2	ZINC22_584884537,MCULE-9429812401,EMOLS-id_313127009	282.34	PLKXULMONYSMOF-XUJVJEKNSA-N	00000011100000000101000000000110000000000000000000000000	31-01-026026
c12CN(CCCn1nc(CO)c2)Cc1cccc(c1)C#N	ZINC22_216958174,EMOLS-id_55608732,MCULE-4448082636,PC-id_91762103	282.34	PMWRLWFIGRDEPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026027
Cn1ncc2c1CCCN(Cc1cc3cccnc3o1)C2	EMOLS-id_316904847,MCULE-1575117280,ZINC22_414475658	282.34	HWBUTOAQGBOXDQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026028
N1(Cc2c(cccn2)C1=O)Cc1c2CCCCCc2[nH]n1	MCULE-1032745077,PC-id_50948040,EMOLS-id_32367684,ZINC22_67640943	282.34	QGZHAWXEFJPFHI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026029
O=C(c1nnc2-c1ccccc2)NN1CC2C(C1)CCC2	PC-id_145735113	282.34	KZQPXGILZJPYOT-UHFFFAOYSA-N	00000010100000000111000000000110000000000000000000000000	31-01-026030
O=C(N1Cc2c(C1)cccc2)C1CCn2c(CC1)nnc2	EMOLS-id_320013226,MCULE-2147573898	282.34	CVEZJVBJBXRLMW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026031
c1cc2ccc(NCc3nnc4n3CCCCC4)nc2[nH]1	PC-id_56910076,ZINC22_72163915,MCULE-1114451830,EMOLS-id_43159852	282.344	PNJMKSUAYSGITC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026032
c1ccc2[nH]c(CCc3nnc4n3CCNCC4)nc2c1	EMOLS-id_337824063,MCULE-7349294587,ZINC22_2356151214	282.344	XQKUZPFWANUTSH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026033
C1CCn2c(CC1)nnc2Cn1ncc(c1)n1cccc1	MCULE-2326045323,EMOLS-id_257923709	282.344	WCIZUNOAPBRZPE-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-026034
Cc1ccc(C#N)c(NCc2nnc3CCCCCn23)n1	MCULE-3663655110,EMOLS-id_25614269,ZINC22_32576225,CoCoCo_1491655,PC-id_39817562	282.344	MQTALNFPHITYMQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026035
CN(Cc1nnc2n1CCCCC2)c1ncccc1C#N	PC-id_45822022,ZINC22_44936466,MCULE-3632338272,EMOLS-id_31951087	282.344	WSZHQOAKTNANFN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026036
N#Cc1cccnc1NCCc1nnc2n1CCCCC2	EMOLS-id_30201178,MCULE-4213166537,ZINC22_44908344,PC-id_45809312	282.344	LNCYZVKKCLGOHI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026037
N#CC(=Cc1c(C)n[nH]c1C)c1nnc2n1CCCCC2	MCULE-3397798400,EMOLS-id_301203164	282.344	YJQVNLGMXBHRFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026038
N#C/C(=C/c1c(C)n[nH]c1C)/c1nnc2n1CCCCC2	PC-id_99806921	282.344	YJQVNLGMXBHRFF-WQLSENKSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026039
CC(CC=CC(=C(C=O)F)C)c1c2-c(ccccc2)cc1	PC-id_89145493	282.352	GJSVOQTXYJPBGL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026040
O=C/C=C(/C=C/c1cc(c2-c1ccc(cc2)C(C)C)F)C	PC-id_102094970	282.352	FDTGTZFMLMDPBA-ONKXOGLGSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026041
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S(=O)(=O)(c1c2-c(cc1)ccccc2)c1ccc(cc1)C	PC-id_25111845	282.357	DMEOGSXNNHFROE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-026043
S(=O)(=O)(c1cc2-c(c1)ccccc2)c1ccc(cc1)C	PC-id_85921017	282.357	HKZBCWCJUDMYDJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-026044
c1(NC(=O)CN)sc2c(CCCCC2)c1C(=O)OC	PC-id_39177869,MCULE-9349769729	282.359	VSBZWCVBSPGBAY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026045
c1(NC(=O)N)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_1298156,BAS-01022412,CoCoCo_157395,PC-id_2876101,MCULE-7998850392,ZINC22_3683258,SPECS-id_AG-205/15425035	282.359	MPRMGZGZSJSWHC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026046
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c1(NC(=O)OC)sc2c(CCCCCC2)c1C(=O)N	MCULE-8282677205,SPECS-id_AK-968/11841275,ZINC22_2734150,CHEMBL1450174,BindingDB_PC-id_2162673,CoCoCo_683415,ChEMBL-DNDi_CHEMBL5695308,PC-id_2162673,EMOLS-id_2095413,TIMTEC578210,BindingDB-id_61305	282.359	YQSPUFXMVDAIMM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026048
CC(C)(C)OC(=O)Nc1nc2CCCCC(=O)c2s1	EMOLS-id_331248173	282.359	HWQJACSUACCVCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026049
CCOC(=O)c1c(N)sc2c1CC(C)(C)CNC2=O	SCHEMBL3760601,PC-id_68776047	282.359	WRUXFPLCOZKBFG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026050
CCOC(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-3136523980,PC-id_29757442,EMOLS-id_45631799	282.359	UJYRJUOBCDOOCQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026051
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COCC(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-7336955252,EMOLS-id_44513988,PC-id_47102161	282.359	PELCQDXZGJUPHO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026053
COC(=O)CCC(=O)Nc1nc2c(s1)CCCCC2	MCULE-6665121369,ZINC22_43481509,PC-id_53518482,EMOLS-id_35693659	282.359	IXTGVYDMMOTYKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026054
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CC(c1ccc2-c1ccccc2)NCCCN1CCCC1	PC-id_68816934,SCHEMBL3859475	282.423	SNBSGESEGFULCM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026155
CC(c1ccc(cc1)CC1NCCCn2c1ccc2)(C)C	SCHEMBL3959433,PC-id_25215975	282.423	PUKMUICYZIEXDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026156
CC=C1CCN(CC1)Cc1c[nH]c2c1C=CC(C=C2)(C)C	PC-id_141816209	282.423	KZAWCRIATKNEEB-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-026157
n1(cc2C(N)CCCCc2c1)Cc1c(cc(cc1C)C)C	PC-id_83209454	282.423	XKVJVOALDPCFEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026158
n1(cc2C(N)CCCCc2c1)Cc1ccc(C(C)C)cc1	PC-id_83210017	282.423	DXDFTUBWWJFCMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026159
n1(cc2C(NC)CCCCc2c1)Cc1cc(c(cc1)C)C	PC-id_83209651	282.423	MUJVJDHPUJDOIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026160
n1(cc2C(NC)CCCCc2c1)Cc1ccc(cc1)CC	PC-id_83210588	282.423	GZNZTIARGXLXGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026161
n1(cc2C(NC)CCCCc2c1)Cc1c(cccc1C)C	PC-id_83210939	282.423	GYOYJLMCEXRORS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026162
n1(cc2C(NC)CCCCc2c1)Cc1cc(cc(c1)C)C	PC-id_83211542	282.423	GFRBSTVMNCGISY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026163
Brc1c2-c(cc1)cc(Br)ccc2	PC-id_13465554	285.963	ZSTLFCWSSYJPEI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027379
n1(cc2C(NC)CCCCc2c1)Cc1c(ccc(c1)C)C	PC-id_83211543	282.423	VHGUWUKHLQYSDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026164
n1(cc2C(NC)CCCCc2c1)CCCc1ccccc1	PC-id_83210407	282.423	URFDQPDGJXBOHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026165
n1(cc2C(NCC)CCCCc2c1)Cc1cc(ccc1)C	PC-id_83211557	282.423	WHKAJDCCCDCJJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026166
n1(cc2C(NCC)CCCCc2c1)Cc1ccc(cc1)C	PC-id_83212098	282.423	KQRVOGYBQUAJIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026167
n1(cc2C(NCC)CCCCc2c1)Cc1c(cccc1)C	PC-id_83212099	282.423	DTLOVJBJWBZACP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026168
n1(cc2C(NCC)CCCCc2c1)CCc1ccccc1	PC-id_83211556	282.423	HHELAACBGHHPSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026169
N(C1CCCCc2c1cn(c2)Cc1ccccc1)CCC	PC-id_83209675	282.423	KGTJLBWVYXVIDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026170
NC1CCCCc2c1cn(c2)CCCCc1ccccc1	PC-id_114334333	282.423	WOSWQDYREMPHIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026171
OCC1(CO)CSc2c(SC1)sc(=O)s2	PC-id_142062158	282.423	FVZYGDINGSFVSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026172
NC(=S)CCNC(=O)c1cc2c(s1)CCCCC2	PC-id_62667443,EMOLS-id_314567115	282.425	ACPYHEBGMHLSMW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026173
NC(=S)C(NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_61120869,EMOLS-id_314078901	282.425	BYNTYLKTAGKENI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026174
s1c2CCCCCc2cc1C(=O)N(CC(=S)N)C	PC-id_61900634	282.425	FNQQOKHZJCRERS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026175
COC(CCC(c1cc2c(s1)CCCCC2)O)(C)C	PC-id_103028235	282.441	CIQYKTLCPPWWMD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026176
COCCC(C(c1cc2c(s1)CCCCC2)NN)C	PC-id_113704901	282.445	IACKRDVEXUFNSG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026177
COCCNCCNCc1cc2c(s1)CCCCC2	PC-id_104379625	282.445	HLNWLQLVJFKELN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026178
CCC(CCCSc1nnc2n1CCCCC2)NC	PC-id_106808264	282.448	OZVQUWSAHWSEKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026179
CCC(C(=[N+]1CCSc2c(C1=N)ccs2)N)CC	PC-id_141859760	282.448	IKWSPHGEFSNBFU-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-026180
CCSCCCNC(c1nnc2n1CCCCC2)C	PC-id_104178644	282.448	IVXWNDLOASUCNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026181
CSCCCCNC(c1nnc2n1CCCCC2)C	PC-id_103087741	282.448	JUELOQYLVZGTRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026182
s1c2CNCCCNCCNCCCNCc1cc2	PC-id_10850501	282.448	VTKFMEIWKFXDCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026183
S(c1n2CCCCCc2nn1)CCCCC(NC)C	PC-id_64648724	282.448	GOWMXBKTBBHVDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026184
S(c1n2CCCCCc2nn1)CCCCNCCC	PC-id_62577717	282.448	XNIMMUNMOSULKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026185
S(c1n2CCCCCc2nn1)CCCCNC(C)C	PC-id_62577926	282.448	SZAROCJLCFAJKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026186
S(c1n2CCCCCc2nn1)CCCC(NCC)C	PC-id_64649313	282.448	AOWMZILMDROPPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026187
S(c1n2CCCCCc2nn1)CCCNC(C)(C)C	PC-id_61386464	282.448	FSNVTINTSQRHCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026188
S(c1n2CCCCCc2nn1)CCCNCC(C)C	PC-id_62576484	282.448	MLSQYOONACJSBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026189
S(c1n2CCCCCc2nn1)CC(CNCCC)C	PC-id_64231570	282.448	AYKQHUKMLAXFGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026190
S(c1n2CCCCCc2nn1)CCC(NCCC)C	PC-id_64649705	282.448	UILQRPJNXJDEKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026191
S(c1n2CCCCCc2nn1)C(CNCCCC)C	PC-id_55092685	282.448	NSGPMKJIFBDUSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026192
S(c1n2CCCCCc2nn1)CCNC(CC)CC	PC-id_55092687	282.448	YEKAVBPJVTUNMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026193
S(c1n2CCCCCc2nn1)C(CNCC(C)C)C	PC-id_62576893	282.448	VKKVMBIGXUJTLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026194
S(c1n2CCCCCc2nn1)CCNC(C(C)C)C	PC-id_62578147	282.448	SYXSPGDPTNXQJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026195
S(c1n2CCCCCc2nn1)CCNC(CCC)C	PC-id_62578361	282.448	VZUHUYRODXJYAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026196
S(c1n2CCCCCc2nn1)CCNCCC(C)C	PC-id_62578362	282.448	JTGHYCJREGEEPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026197
S(c1n2CCCCCc2nn1)CCNCCCCC	PC-id_62578796	282.448	MGWNANAAGRPONQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026198
S(c1n2CCCCCc2nn1)CCNC(CC)(C)C	PC-id_62578998	282.448	XPUNJRKSKVAEJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026199
S(c1n2CCCCCc2nn1)CC(NCCC)CC	PC-id_64648139	282.448	RSMUWSXOSZGTLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026200
S(C(C(C)(C)C)C(N)C)c1n2CCCCCc2nn1	PC-id_61631852	282.448	QIVQZMAUCMXRCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026201
S(CCCC(CN)(C)C)c1n2CCCCCc2nn1	PC-id_65256132	282.448	BBOBARZHTIVFIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026202
S(CC(CNC(C)C)C)c1n2CCCCCc2nn1	PC-id_64232013	282.448	VROUGHVBDHVMRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026203
S(C(CC(NCC)C)C)c1n2CCCCCc2nn1	PC-id_64704638	282.448	NXMAEKYFVBJEHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026204
S(C(CNC(C)(C)C)C)c1n2CCCCCc2nn1	PC-id_62576691	282.448	AYXOJDIZXUWORU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026205
S(C(CNC(CC)C)C)c1n2CCCCCc2nn1	PC-id_62577100	282.448	LEDZAYOEUGUTGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026206
S(CC(NC)C(C)(C)C)c1n2CCCCCc2nn1	PC-id_64648332	282.448	PJBVZMYHIMNBHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026207
S(C(C(NCC)CC)C)c1n2CCCCCc2nn1	PC-id_64648721	282.448	WDGVBDKZSHGGHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026208
S(CC(NCC)CCC)c1n2CCCCCc2nn1	PC-id_64648917	282.448	WCGRCZVEHFBIBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026209
S(C(C(NCCC)C)C)c1n2CCCCCc2nn1	PC-id_64649310	282.448	TVYDWQLONHMDBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026210
S(C(C(N)CCC)CC)c1n2CCCCCc2nn1	PC-id_64650289	282.448	RSVOQPWLPXAIHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026211
S(CC(NC)C(CC)C)c1n2CCCCCc2nn1	PC-id_80451015	282.448	MBTKYFULFXNUQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026212
S(CC(NCC)C(C)C)c1n2CCCCCc2nn1	PC-id_80451069	282.448	SGXMLBGHKROLSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026213
C(CCc1c2-c(cc1)cc(C(C)C)ccc2)CCCCC	PC-id_13923034	282.463	DEAHIDDVKSGBBB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026214
C[Si]1(C)CSc2c(SC1)sc(=S)s2	PC-id_102452838	282.565	JDTPAEFBJFLIDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026215
Clc1ccc2-c(cc1)c(cc2)OC(=O)c1ccccc1	PC-id_145986994	282.721	DPUCLXXCLQIWHP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-026216
C=C1C(CNCC=C(c2c1c(c[nH]2)C(=O)O)O)CCl	PC-id_89079696	282.723	MJKWKLQVRCEYEM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026217
ClCC1CNC/C=C(c2c(C1=C)c(c[nH]2)C(=O)O)/O	SCHEMBL13405207	282.723	MJKWKLQVRCEYEM-WTDSWWLTSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026218
Clc1nc2-c(c1C=Nc1ccccc1O)ccccc2	PC-id_102393573	282.724	UETKIQBVTQSLPZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-026219
CCOC(=O)c1nn2c(c1)/C(=C(/C=N)Cl)/NCCC2	SCHEMBL20926086	282.726	IWVWUWMXXRRPQF-HPOQITGPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026220
CCOC(=O)c1nn2c(c1)C(=NCCC2)/C(=CN)/Cl	PC-id_138568248	282.726	HUWYKIAFVOKLOD-BQYQJAHWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-026221
ClCCCCCn1c2c(C(=O)CCN(C2=O)C)cc1	SCHEMBL9041754,PC-id_10850511	282.766	ZGBQYGTWLDKTKG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026222
ClCCCCCN1CCC(=O)c2c(C1=O)n(C)cc2	SCHEMBL7144008,PC-id_70002954	282.766	IWSNXAWQNSVYOO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026223
ClCCCCn1c2c(C(=O)CCN(C2=O)CC)cc1	SCHEMBL9040322,PC-id_10493210	282.766	BTFZSKXEMDJVQR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026224
ClS(=O)(=O)c1c2-c(c(c1)C)ccc(C(C)C)cc2	PC-id_10356445	282.786	ONJQRHGCGYPVOO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026225
ClS(=O)(=O)c1c2-c(c(c1)C)cccc(C(C)C)c2	PC-id_10446539	282.786	KFMPPJMFSXPEBY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026226
ClS(=O)(=O)c1c2-c(c(CCCC)c1)ccccc2	PC-id_11778555	282.786	HOQSYRJNOYDJMS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026227
c1(NC(=O)CCCl)sc2c(CCCCC2)c1C#N	PC-id_4684569,MCULE-4804039455,TIMTEC288910,EMOLS-id_829562,CoCoCo_3704884,ChEMBL-DNDi_CHEMBL1517107,CHEMBL1517107,SPECS-id_AK-968/11845507	282.789	LLWGECDSVWTFQA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026228
c1(NC(=O)CCl)sc2c(CCCCCC2)c1C#N	MCULE-3106374313,SPECS-id_AK-968/40292372,TIMTEC301860,EMOLS-id_3786648,PC-id_4662127,CoCoCo_6596422	282.789	MAMJKPWFXZFPDS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026229
CCCCC(=O)Nc1nc2=CCC=C(C=c2s1)Cl	SCHEMBL18700222	282.789	PDJCPKLZPHDAFK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-026230
CC(Cl)C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_16226996,EMOLS-id_2870607,MCULE-5543327747	282.789	ZTXAOUYXPATJLR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026231
Cl[C@H](C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_9167255,CoCoCo_4296136	282.789	ZTXAOUYXPATJLR-QMMMGPOBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026232
Cl[C@@H](C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_9167258,CoCoCo_4296135	282.789	ZTXAOUYXPATJLR-MRVPVSSYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026233
CC1CN(Cc2ncc(s2)Cl)Cc2c(C1)[nH]nc2	MCULE-4044277090,EMOLS-id_320080215	282.792	QPHYHYKJSLXPGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026234
ClC(c1sc2CCCCCc2c1)c1sccc1	PC-id_63433572	282.852	MPPJYSQROUGPBV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-026235
CN(C)C1=NC=C(S1)/C=C/C2=NC3=CC=C=CC=C3O2	PC-id_153537187	283.078	FOZKICFYSQLIHP-CMDGGOBGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-026236
CCOC(=O)c1cc2=CCC=CC(=c2o1)Br	PC-id_144116943	283.118	AMWAULRCPKJTIS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026237
CCOC(=O)C1=Cc2c(Br)[nH]nc2C=CC1	PC-id_144407111	283.121	QCYLYONQCKMZRI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-026238
[O-][N+](=O)C1=Cc2ccn(c2C=CC1(C)Br)C	PC-id_143310902	283.121	AJXURTMWXPUTJC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026239
CC(C)(C)OC(=O)NCC1CCCOC2=C1SC=C2	PC-id_165145692	283.124	PLMNBNPZUVYOHC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026240
CC(=C)CS(=O)(=O)N1CC2=C(CC(C1)(C)C)NN=C2	MCULE-6274676417,PC-id_154788712,EMOLS-id_316176735	283.135	BSCGNZLKUDFABW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026241
CC(C1=CC2=C(CCO2)C=C1)N3CCC4=C(CC3)NN=C4	PC-id_154685713	283.168	MYQATBFYAPHSNV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026242
CC(COC)OCC(CN1CCCC2=C(C1)C=NN2)O	MCULE-5728513879,PC-id_154763831,EMOLS-id_317276150	283.19	LAMGRXOGKBSPST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026243
S1(=O)(=O)C(=Cc2c(C=C1C(=O)O)cn(c2)C)C(=O)O	PC-id_13211064	283.257	VMBJWUWBPWEZSP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026244
S1(=O)(=O)C(=Cc2n(ccc2C=C1C(=O)O)C)C(=O)O	PC-id_13211067	283.257	YKEPILPPAJOOGM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026245
CC1(Cn2cc(nc2OCCN1CC(=O)[O-])[N+](=O)[O-])C	SCHEMBL14965867,PC-id_89580236	283.261	KTNHQVAJSGJWOJ-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-026246
Cn1c2c(CNCCCS2(=O)=O)c(n1)C(F)(F)F	EMOLS-id_323944423,PC-id_136590500	283.271	GRSNXBKCMBQGCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026247
FC(F)(F)CS(=O)(=O)N1CCCn2cncc2C1	EMOLS-id_43058470,MCULE-7909162118,PC-id_56882394	283.271	QBFHKJWSGKLPFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026248
Fc1ccc(c(c1)NC(=O)c1ccc2-c1ccccc2)F	PC-id_140473557	283.272	NMXTWECGTXNDHR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-026249
CC1CN(Cc2onc(n2)C(F)F)Cc2c(C1)[nH]nc2	EMOLS-id_318912307	283.277	ICMQZBYWXSOCDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026250
CCC1(CC)COc2c(OC1)c([nH]c2C(=O)O)C(=O)O	PC-id_68970543,SCHEMBL4240282	283.277	JQTLNVCFNXCJET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026251
CCOC(=O)c1[nH]c(C(=O)OCC)c2c1OCCCO2	PC-id_16217735,ZINC22_12956237	283.277	OSXOFGHIVBAAEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026252
FC(c1nnc(o1)NCc1cnc2n1CCCCC2)F	EMOLS-id_318637636,MCULE-5812491790	283.277	FSYSHFNHRINSMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026253
CCOC(=O)c1c(C#N)c2-c(c1C(=O)OC)ccccc2	PC-id_101076389	283.279	JBZDYSNCAFXYTG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026254
O(c1c2-c(c(cc2C#N)C(=O)OCC)cccc1)C(=O)C	PC-id_9993967	283.279	BFSSBDBDQYYMAB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026255
CCNC(=O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14966113,PC-id_89580411	283.284	FKOAJRCMEWXOLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026256
O1CCN(CCn2c1nc([N+](=O)[O-])c2)CC(=O)N(C)C	SCHEMBL14965791,PC-id_71571329	283.284	WENMUGPWAKRGRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026257
C1CN(CCn2c1n[nH]c2=O)C(=O)c1cccc(c1)C#N	EMOLS-id_50585807,PC-id_91922348,MCULE-2207049112	283.285	AXGUCNKMDCOULX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026258
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O=C(c1nccc2occc12)N1CCCn2nncc2C1	EMOLS-id_316988772,MCULE-7562962740,ZINC22_894243047,PC-id_136559951	283.285	FGDWGKRAHHAQTB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026260
O=C(c1ccc2c(n1)cn[nH]2)N1CCCn2c(C1)cnn2	EMOLS-id_320247197,MCULE-7526168201	283.289	CHXSYLWEZXIDIY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026261
O=C(c1cccc2n1nnc2)N1CCCn2c(C1)cnn2	MCULE-7282718276,EMOLS-id_320337251	283.289	NZZXAOUTXUWKOK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026262
O=C(c1cccn2c1nnn2)N1CCCc2c(C1)c[nH]n2	EMOLS-id_320101870,MCULE-4485280264	283.289	MCDPMHHQMVVDEA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026263
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CC/C=CCCC1=Nn2cc(nc2C=CC1)C(F)(F)F	SCHEMBL19525465	283.292	XWQJDVQYAOUYLG-ARJAWSKDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-026265
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CCOC(=O)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625315	283.304	JUTMYXPQXOQDRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026267
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n12c(nnc1)CC(=NN=C2N[NH+]=Cc1cc(ccc1)C)N	PC-id_26478057	283.312	OMHRLCOFYMHJKS-UHFFFAOYSA-O	00000000100000110111000000000010000000000000000000000000	31-01-026270
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)C(F)(F)C	EMOLS-id_319496568	283.317	CISLJSMCLGKZHR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-026273
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCC(C1)(F)F	EMOLS-id_319024157	283.317	HFQNYXDLEIXAQH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-026274
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(C)CC(C1)(F)F	MCULE-2643153938,EMOLS-id_320072313	283.317	OIAPNUJQCGIWPU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-026275
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1CC(C1)(F)F	EMOLS-id_320034791,MCULE-7136117679	283.317	MBWROIMIHDGGJF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-026276
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCC1CC1(F)F	EMOLS-id_319524136	283.317	SZMUENQCELNZHC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-026277
CCOC(=O)c1c2-c(c(c1O)C#N)cccc(c2)C(C)C	PC-id_101076912	283.322	KGHSQFCNQYTRTA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026278
COC(=O)c1cc(c2-c1ccccc2)C(=O)/C=C/N(C)C	PC-id_101430778	283.322	BTRYBRHWSOOLNM-MDZDMXLPSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026279
O=C1c2c(CCCC1)cn(c2)Cc1ccc(cc1)C(=O)O	PC-id_83206834	283.322	MXKBYFIOKNIQPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026280
O=C(c1cccc2c1COC2)N1CCCc2c(C1)cco2	EMOLS-id_319795660	283.322	YMELXHSSUKGPEX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-026281
O=C(c1ccccc1)c1ccc2n1CCCCC2C(=O)O	PC-id_13487085,SCHEMBL11196019,CHEMBL265091	283.322	DOMXFRXCOAUMKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026282
O=C(C1n2c(C(CCC1)C(=O)O)ccc2)c1ccccc1	PC-id_20483890,SCHEMBL11200980	283.322	ZDQLUUMQKOBVOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026283
c12CN(CCCn1nc(CCC(=O)O)c2)C[C@@H](CO)O	ZINC22_72410715,EMOLS-id_43088465,MCULE-7588275244,PC-id_56889723	283.324	RQAUXCAMIJGTIA-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026284
CCN(CC1CCCCc2n1c(=O)on2)CCC(=O)O	PC-id_141976392	283.324	AAQIFNVPISBKNB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026285
o1nc2n(C(CCCC2)CCNCC(C)C(=O)O)c1=O	PC-id_72611601	283.324	RHKMFXDTZZQZQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026286
o1nc2n(C(CCCC2)CCNC[C@H](C)C(=O)O)c1=O	PC-id_59974969	283.324	RHKMFXDTZZQZQL-RGURZIINSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026287
O=c1n2CCCCCc2nn1CC(O)CC(=O)OCC	PC-id_82778045	283.324	YXXVESITSXEERJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026288
OC(CN1CCCn2nc(cc2C1)CCC(=O)O)CO	PC-id_76424721	283.324	RQAUXCAMIJGTIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026289
CC1CCc2c(C(=O)C1)c(c[nH]2)C(=O)Nc1ccccn1	PC-id_20762205,SCHEMBL6502758	283.325	DUYUJMDCMUHDNB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-026290
CCCc1oc(c(n1)C)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_318894577	283.325	RIUZSUNCBTYWKW-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-026291
CN1CC=CC(=O)c2cn(nc12)Cc1ccc(cc1)OC	PC-id_86698337,SCHEMBL15303241	283.325	HEIQPGWWFAQYPX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-026292
O=c1nc2-c(n1Cc1noc(c1)C(C)(C)C)ccccc2	EMOLS-id_319026933	283.325	CRXIUKYMFWJNRY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-026293
O=C(c1ccc2c(c1)OCC2)N1CCCc2c(C1)c[nH]n2	EMOLS-id_320130776,MCULE-9679976273	283.325	SGUFAFZSEFFRBP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026294
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O=C(c1[nH]c2c(c1)n(cc2)C)N1CCCc2c(C1)cco2	EMOLS-id_319386629	283.325	LWAUKCWSHAOJFY-UHFFFAOYSA-N	00000000100000000100000100000010000000000000000000000000	31-01-026298
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O(/N=C
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O(N=C1c2c(n(cc2)C)C(=O)NCC1)Cc1ccccc1	PC-id_77915904	283.325	DLMHCZWCLBUPKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026302
O(/N=C
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O(N=C1CCCCn2c1ccc2)C(=O)Nc1ccccc1	PC-id_73816815	283.325	NDWAWGFPZCHNGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026304
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CC(Cn1ncnc1Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_319208259	283.328	OJFDBIVPOWCACK-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-026312
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CN1CC(COc2ccc(cn2)C#N)Cn2cncc2C1	EMOLS-id_49229151	283.328	FWCKGFRAXBCFNG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026315
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c1(NC(=O)OC)sc2c(CCCCC2)c1C(=O)OC	PC-id_3802846,ZINC22_5526396,MCULE-3978822383,CoCoCo_739675,TIMTEC264067,EMOLS-id_1991806	283.343	KKEOQEYUQPBUAW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026328
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)ccc1C	EMOLS-id_318868263	283.368	JXXPGFJXWORXFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026395
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cccc(c1)C	EMOLS-id_319131755	283.368	YAUVGEABIHNYKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026397
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CC(c1ccccc1)NC(=O)c1c2c(CCCCC2)[nH]n1	EMOLS-id_323248311,MCULE-5498095058	283.368	JVUOHDROAHFREZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026402
CC(C1CCCCC1)NC(=O)c1nnc2-c1ccccc2	PC-id_90760957	283.368	OQKFQPNMAVHKRH-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-026403
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OC1CCCCc2c1cn(c2)CCCCc1ccccc1	PC-id_114334285	283.408	ZUUCHWYEDRSNDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026505
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CCNC1CCCCc2c1cnn2Cc1cccc(c1)C	PC-id_107384465	283.411	HKSHTSCOJJVXPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026515
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CCn1ccc2c1C(=O)N(CCC2=NO)CCCCl	PC-id_88072444	283.754	BTVQWXFLZZFXLP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026545
ClCCCCc1cc2c([nH]1)C(=NO)CCN(C2=O)C	PC-id_141592198	283.754	TYCDSEGDCMBEGG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026546
ClCCCCc1cc2c([nH]1)/C(=NO)/CCN(C2=O)C	SCHEMBL6996179,PC-id_135706038	283.754	TYCDSEGDCMBEGG-WJDWOHSUSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026547
ClCCCCn1c2c(/C(=N/O)/CCN(C2=O)C)cc1	PC-id_10517124	283.754	XLWQZVFWUIDIJW-RVDMUPIBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026548
ClCCCCn1c2c(C(=NO)CCN(C2=O)C)cc1	PC-id_10850578	283.754	XLWQZVFWUIDIJW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026549
ClCCCCn1c2c(C(N=O)CCN(C2=O)C)cc1	PC-id_53831183	283.754	GCOHPQHKZXPREH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026550
ClCCCCn1c2c(C(=O)N(CC/C/2=N/O)C)cc1	PC-id_22011284,SCHEMBL7948424	283.754	YKGFYURWRNPWAF-PTNGSMBKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026551
ClCCCCn1c2c(C(=O)N(CCC2=NO)C)cc1	PC-id_59939355	283.754	YKGFYURWRNPWAF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026552
ClCCCCn1cc2c(c1)/C(=NO)/CCN(C2=O)C	SCHEMBL6992600,PC-id_22011280	283.754	VLLVBTASFAEGJQ-QINSGFPZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026553
ClCCCCn1cc2c(c1)C(=O)N(CCC2=NO)C	PC-id_59939356	283.754	VLLVBTASFAEGJQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026554
ClCCCCn1ccc2c1C(=O)N(C)CC/C/2=N/O	SCHEMBL6989871	283.754	XLWQZVFWUIDIJW-PTNGSMBKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026555
ClCCCN1CC/C(=N/O)/c2c(C1=O)n(CC)cc2	SCHEMBL6993447	283.754	BTVQWXFLZZFXLP-PTNGSMBKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026556
CN1CCC(c2c(C1=O)ccn2CCCCCl)N=O	PC-id_91043535	283.754	GQPBFDNHMOYRHV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026557
CN1CCC(c2cn(cc2C1=O)CCCCCl)N=O	PC-id_90843506	283.754	JVPRIBIPLJESRW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026558
CC1CN(Cc2c(C1)[nH]nc2)Cc1nnsc1Cl	EMOLS-id_319737160	283.78	ZANCVFKNYVOKEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026559
Clc1ccc(s1)CNC1CCn2c(CC1)nnn2	EMOLS-id_102026227,MCULE-6545416874	283.78	MWIJBISJLMCLPJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-026560
Clc1ccsc1CNC1CCn2c(CC1)nnn2	EMOLS-id_102000600,MCULE-4045176753	283.78	CRGILKVLRBHYCO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-026561
Clc1cnc(s1)NCc1nnc2n1CCCCC2	MCULE-3718337119,EMOLS-id_318152441	283.78	XFFBKMVUYLRNQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026562
Clc1cscc1CNC1CCn2c(CC1)nnn2	MCULE-1875192855,EMOLS-id_318046106	283.78	XPAWMFOPVOIGNE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-026563
Clc1csc(c1)CNC1CCn2c(CC1)nnn2	MCULE-4254738684,EMOLS-id_102000585	283.78	HUYCBLHOOZOFPM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-026564
Clc1sccc1CNC1CCn2c(CC1)nnn2	EMOLS-id_102000558,MCULE-8835915358	283.78	HKHDBVHXFPDCEI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-026565
ClC1CCN(C1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63394227	283.817	YQKBLZDRFHYZBY-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-026566
ClCC1(CC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_116349338,EMOLS-id_260399636	283.817	XTPIWXKBJRHGFB-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-026567
ClCC=CCNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_315156899	283.817	SDIVIHUCCKBQDK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026568
ClC/C=C/CNC(=O)c1sc2CCCCCc2c1	PC-id_81429068	283.817	SDIVIHUCCKBQDK-SNAWJCMRSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026569
ClC(=C)CNC(=O)c1sc2c(c1)CCCCCC2	PC-id_115636814	283.817	SPMZBZRQCCHBOF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026570
CC1(COC2=CSC=C2OC1)COC(=O)OCC=C	PC-id_147791150	284.072	HJQWYZQXUHKYFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026571
FC(F)(F)c1nn2CCCNCc2c1Br	EMOLS-id_317750251	284.076	RSQVYOBJURDLOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026572
CCOC(=O)C(=C(C1=C2C=CC=CC=C2OC1=O)N)C#N	PC-id_165344399	284.08	YQPMFVZDUIUDHQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026573
Brc1c(OC)cc2-c(nc(n2)N)c(OC)c1	PC-id_86160028	284.109	LMQFLXODCFBHLT-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-026574
C1CC2=C(CN(C1)CC3=CC(=O)N4C(=N3)C=CN4)C=CO2	PC-id_154798681	284.127	WABGKDDAHNQWTJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026575
CNC1CCn2c(cc(n2)CC2CC2(F)F)N(C1=O)C	PC-id_163565275	284.145	FUQPBYLBGUKFMT-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-026576
C1CC1CN1CCc2cc(nn2CC1=O)Br	SCHEMBL20516994,PC-id_135342689	284.152	WKNYNFAOEMSUCC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-026577
CC(C1=CC2=C(CCO2)C=C1)N3CCC4=C(CC3)ON=C4	PC-id_154685620	284.152	LPIFWERQCOPCLB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026578
CC(C)N1CC(=C)c2cc(nn2CC1=O)Br	SCHEMBL20516831,PC-id_135342541	284.152	DRWWZOYJCZVIOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026579
CCC1=CC(=CC2=C(C(=C(C2=C1)CC)C(=O)O)CC)CC	PC-id_153979004	284.178	DGFOAAAUEKATCT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026580
O=C1CC(N)C(=O)On2c(O1)ncc2CC(C(=O)O)N	PC-id_142675673	284.225	WBHYKKKSNGGKIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026581
FC(c1nnc(o1)NCc1nnc2n1CCCCC2)F	EMOLS-id_100700358	284.265	OPJWZIPMTAXYPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026582
CC1(Cn2cc(nc2OCCN1CC(=O)O)[N+](=O)[O-])C	PC-id_89580209,SCHEMBL14965833	284.269	KTNHQVAJSGJWOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026583
c12CN(CCCn1nc(C#N)c2)C(=O)c1ccccc1F	ZINC22_584887727,EMOLS-id_177384644,MCULE-2775281977	284.288	NGLRVNHJNNXOAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026584
s1c(/N=N/c2c3-c(cc2)ccccc3)ncc1[N+](=O)[O-]	PC-id_12104207	284.293	MRYWAKOCXLSXHR-FOCLMDBBSA-N	00000010100000000111000000000010000000000000000000000000	31-01-026585
FC(CN(C(=O)C1CCn2c(CC1)nnc2)C1CC1)F	EMOLS-id_316702923	284.305	QALSMAGEUAIEJA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-026586
O=C1CCCn2c(N1C)cc(n2)CCN1CC(C1)(F)F	PC-id_145225505	284.305	IIBXQAOXAQLUTP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-026587
O=C1CCCn2c(N1C)cc(n2)CN1CCC(C1)(F)F	SCHEMBL19659755	284.305	HAYIRRPBIXHCBS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-026588
O=C(N1CCCC(C1)(F)F)C1CCn2c(CC1)nnc2	EMOLS-id_319720947	284.305	ITCFVVQMDWOSIB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-026589
CCOC(=O)c1c2-c(c(c1CC(=O)C)C=O)ccccc2	PC-id_102293863	284.307	MSAQHVAUGFGQMG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026590
CCOC(=O)c1cc(c2-c1ccccc2)/C=C/C(=O)OC	PC-id_101588843	284.307	IGDBYLYHJOFFSG-MDZDMXLPSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026591
O(c1c2-c(c(c1C(=C)OC(=O)C)C)ccccc2)C(=O)C	PC-id_10859025	284.307	NXUXDXLMIKEGRZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026592
C1CCC(=O)c2c(C1)[nH]cc2N(C=O)c1ccc(cc1)O	PC-id_88137495,SCHEMBL7399447	284.31	JQMHJXPCBHEJHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026593
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCC(=O)C2	SCHEMBL366655,PC-id_66667690	284.31	UVSXIEPKLBGLIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026594
O=C1c2c(CCCC1)cn(c2)Cc1ccc([N+](=O)[O-])cc1	PC-id_83205868	284.31	VHGWMDJZFOOWAB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026595
O=C1c2c(CCCC1)cn(c2)Cc1cc([N+](=O)[O-])ccc1	PC-id_83207255	284.31	GCLVNLVVCJEQTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026596
O=C1c2c(CCCC1)cn(c2)Cc1c([N+](=O)[O-])cccc1	PC-id_83206682	284.31	BEVAQOAQONTJLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026597
O(c1c2-c(c(c(N)c2C#N)C(=O)OCC)cccc1)CC	PC-id_10446588	284.31	HEEQVJSBJXCFKH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026598
O=C1c2c([nH]cc2C(=O)Nc2ccc(O)cc2)CCCC1	SCHEMBL7363737,PC-id_56980921	284.31	QNQWPSMPLCOXBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026599
O=C(c1cc(c2-c1ccccc2)C(=O)N)ON1CCCC1	PC-id_69299795,SCHEMBL5067727	284.31	VRTVSTFJTRKHIX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026600
c12ncn(Cc3ccccc3)c1C(=O)N(CC(=O)N2C)C	MCULE-5544986428,ZINC22_275712,NSC625661,PC-id_362128,CHEMBL98398,EMOLS-id_752475,BindingDB_PC-id_362128,ChEMBL-DNDi_CHEMBL98398,CoCoCo_5683419,STOCK1S-46926	284.313	STFRRLZKHLYUIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026601
C1CCC(=O)c2n[nH]c(c2C1)C(=O)NCc1ccncc1	SCHEMBL15378110,PC-id_89896001	284.313	NGDLSLGHJWNPEB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026602
C1CCn2c(CC1)nnc2COc1cccc2c1ocn2	EMOLS-id_320186434,MCULE-7490454146	284.313	HULOGIQXNOGXQZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026603
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c([nH]1)cco2	EMOLS-id_319185767	284.313	TWSDBPYDFAEDHC-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-026604
CC(Cc1noc(n1)Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_319758218	284.313	QFEWSUBXBJALAY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-026605
N#Cc1oc(c(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_318838249	284.313	IFJSVGPEQZEROX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-026606
O=c1oc2ccccc2n1Cc1nnc2n1CCCCC2	ZINC22_264234949,EMOLS-id_316516453,MCULE-7414005433	284.313	YMRSGXPXIGQFBP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026607
O=C(c1cccc2c1COC2)N1CCCn2c(C1)cnn2	EMOLS-id_318940440	284.313	BOFFLDPYEIYSCI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026608
O=CC(NC(=O)N)C#CC1=Cn2cc(nc2CCC=C1)C	PC-id_143512505	284.313	QWZMHLDYDHRRMN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-026609
O=C(O)c1cnc(/C=C/c2cn3c(n2)CCCCC3)cn1	ZINC22_2325787739	284.313	UHXHWNZPOUOANP-AATRIKPKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-026610
OC(=O)c1ncc(nc1)C=Cc1cnc2n1CCCCC2	EMOLS-id_318567450,MCULE-9605814836	284.313	WCPOSCBPLOHPKF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-026611
OC(=O)c1ncnc(c1)C=Cc1cnc2n1CCCCC2	EMOLS-id_318560608,MCULE-1127148352	284.313	PGVJISQFLGCFKD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-026612
c12CN(CCCn1nc(C#N)c2)C(=O)C(C)n1cccn1	PC-id_119063614,MCULE-3434812607,EMOLS-id_82713413	284.316	JUYHSVKKUTXJSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026613
C[C@H](C(=O)N1CCCn2nc(C#N)cc2C1)n1cccn1	ZINC22_426470571	284.316	JUYHSVKKUTXJSP-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026614
C[C@@H](C(=O)N1CCCn2nc(C#N)cc2C1)n1cccn1	ZINC22_426470586	284.316	JUYHSVKKUTXJSP-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-026615
n12CCCNCc1cc(CNC(=O)c1cc(c[nH]1)C#N)n2	EMOLS-id_49677824,MCULE-6115430406,ZINC22_97784706,PC-id_74249185	284.316	GLSLATHAJBECEG-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-026616
N#Cc1n(C)ncc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318995834	284.316	GWORCPQOTJKPNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026617
O=c1c2cccn2cnn1Cc1nnc2n1CCCCC2	ZINC22_886068628,MCULE-5333348164,EMOLS-id_316187166	284.316	DKKGMNQSVLZTER-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026618
O=c1nc2-c(n1Cc1nnn(n1)C(C)(C)C)ccccc2	MCULE-3985446346,EMOLS-id_319979644	284.316	SCRNUVSICZPLMX-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-026619
O=c1nccc2n1ccn2Cc1nnc2n1CCCCC2	EMOLS-id_316725493	284.316	PBPZICPRHMZVJL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026620
O=C(c1[nH]c2c(c1)n(cc2)C)N1CCCn2c(C1)cnn2	EMOLS-id_319141186	284.316	ITAQORMCTGFJRF-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-026621
Fc1cc(Cn2cc3C(O)CCCCc3c2)cc(c1)C#N	PC-id_83209644	284.328	NPMQJJWNZFOAEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026622
Fc1c(Cn2cc3C(O)CCCCc3c2)cc(cc1)C#N	PC-id_83209257	284.328	RKHWWCHJUHSDMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026623
Fc1c(Cn2cc3C(O)CCCCc3c2)ccc(c1)C#N	PC-id_83211746	284.328	NOTKIKLXBNWJSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026624
N#Cc1ccc(cc1Cn1cc2c(c1)CCCCC2O)F	PC-id_107906614	284.328	QTPVYZDIERCJPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026625
N#Cc1cccc(c1F)Cn1cc2c(c1)CCCCC2O	PC-id_107119113	284.328	VICPAXWERZULCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026626
N#Cc1cc(ccc1F)Cn1cc2c(c1)CCCCC2O	PC-id_107883253	284.328	RQZQSRDYDHHOSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026627
CCOC(=O)N1CCc2c(CC1)sc(c2C(=O)O)N	PC-id_20244899,SCHEMBL10855842	284.331	RDHLEPVDONPIEG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026628
COC(=O)c1n(C)cc2c1CC=CC(NS2(=O)=O)C	PC-id_140762581	284.331	YNGPEFQIADVHTG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-026629
COC(=O)c1n(C)cc2c1C=CCC(NS2(=O)=O)C	PC-id_140762691	284.331	JICSGQDTPLJEOW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-026630
N#Cc1ccc(c(c1)CN1CC(C)Cc2c(C1)cn[nH]2)F	EMOLS-id_318805550	284.331	VGMFUZSKHUVMEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026631
N#Cc1cccc(c1F)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319393176	284.331	YDCLUZQFWQJZTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026632
N#Cc1cc(ccc1F)NCc1cnc2n1CCCCC2	MCULE-5644894919,EMOLS-id_318476373	284.331	XQUURCSHCXUVPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026633
N#Cc1cc(F)ccc1CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318936777	284.331	DNHCRSJDRUEBTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026634
N#Cc1cc(NCc2cnc3n2CCCCC3)cc(c1)F	EMOLS-id_318507828,MCULE-7366962277	284.331	FIFNFUZAEUAXCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026635
s1c2N(OC)C(=O)[C@@H](N(Cc2cc1)C(=O)OCC)C	PC-id_11426120	284.331	XRMFSOZPCCJTQB-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026636
s1c2N(OC)C(=O)C(N(Cc2cc1)C(=O)OCC)C	PC-id_72956981	284.331	XRMFSOZPCCJTQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026637
COCCNC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625564	284.335	DLJSYIFVQWUZAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026638
O=c1nc2-c(n1Cc1nnc(s1)C1CC1)ccccc2	EMOLS-id_319106839	284.336	UFFTUWUPUIOOPX-UHFFFAOYSA-N	00100010100000000111100000000010000000000000000000000000	31-01-026639
CC1CN(CCC1(F)F)Cc1nnc2n1CCCCC2	EMOLS-id_102424163	284.348	FVWKBPVFCMPMNQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-026640
FC1(F)CCC(CC1)NCc1nnc2n1CCCCC2	MCULE-5463325592,EMOLS-id_318178424	284.348	IRBKENCYQGYVIG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-026641
c1(cc2-c(ccc1)c(cc2C(=O)O)C(O)C1CC1)C(C)C	CHEMBL1205409,PC-id_44328285	284.35	ZUARCLPPMSRYAJ-UHFFFAOYSA-N	00100010100000000110000000000010000000000000000000000000	31-01-026642
CCOC(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C=O	SCHEMBL7169318,PC-id_15259226	284.35	STFWJQYMZPQAQS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026643
O=C(c1c2-c(cc1CC(=O)OC)cccc(C(C)C)c2)C	PC-id_14972958	284.35	XGJFPMIQDKQMCS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026644
O=C(c1c2-c(c(cc(cc2C)C)C)cc1)CCCC(=O)O	PC-id_72712758	284.35	CYFZYVTZKACMGW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026645
O=C(C(C)(C)C)c1cc2-c(c1)ccc(cc2)C(=O)OCC	PC-id_71413557	284.35	HDIZUXFECPYSJR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026646
O(C(=O)c1c2-c(c(c1)C(=O)C)c(cc(cc2C)C)C)CC	PC-id_86169987	284.35	ITGFBIRUSPACAU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026647
OC(c1cc2-c(c1)ccccc2)c1cc2-c(c1)ccccc2	PC-id_101223558	284.351	MRNNKOMYGIEADK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026648
c1(c2CCCCCc2on1)C(=O)N(C)c1ccccc1C	EMOLS-id_16234843,MCULE-5813120342,PC-id_20923871,CoCoCo_2401426	284.353	ONPDSCMBUNXUNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026649
c1(c2CCCCCc2on1)C(=O)N(CC)c1ccccc1	TIMTEC239984,EMOLS-id_16234761,CoCoCo_2401378,MCULE-5841160096,PC-id_17254339,ZINC22_20608694	284.353	JJQWAPDZBBSFAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026650
c1(C(=O)Nc2ccc(cc2)CC)c2CCCCCc2on1	CHEMBL1321410,EMOLS-id_6683890,ChEMBL-DNDi_CHEMBL1321410,TIMTEC108911,PC-id_3240580,MCULE-1241714671,ChEMBL-DNDi_CHEMBLC226-3480,ZINC22_3909308	284.353	CTDSBEMGTBNHDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026651
c1(C(=O)Nc2ccccc2CC)c2CCCCCc2on1	ZINC22_426557,MCULE-2650106038,TIMTEC435534,PC-id_4053928,EMOLS-id_11061205	284.353	RTSVOPGCLIXFHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026652
c1(C(=O)Nc2ccc(c(C)c2)C)c2CCCCCc2on1	MCULE-7972011283,TIMTEC392336,PC-id_3236688,ChEMBL-DNDi_CHEMBL1362370,ZINC22_426566,CHEMBL1362370,EMOLS-id_6678552	284.353	PXJFLFXWCJBMKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026653
c1(C(=O)Nc2cc(C)cc(C)c2)c2CCCCCc2on1	EMOLS-id_21980637,MCULE-1228209895,PC-id_17254352,TIMTEC81574,ZINC22_20345376	284.353	BOPGZCCSPDHTRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026654
c1(C(=O)Nc2cccc(CC)c2)c2CCCCCc2on1	PC-id_17254359,TIMTEC359819,EMOLS-id_21980649,MCULE-5241779941,ZINC22_20213355	284.353	ONACYNGKDPLEQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026655
c1(C(=O)NCc2ccc(cc2)C)c2CCCCCc2on1	MCULE-9209529888,PC-id_17254343,ZINC22_20367319,TIMTEC243956,EMOLS-id_21980625	284.353	JNZIUDZPWPFDFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026656
c1(C(=O)N(C)Cc2ccccc2)c2CCCCCc2on1	EMOLS-id_16234753,CoCoCo_2401374,PC-id_20923839,MCULE-8818360690	284.353	YLVANTSOXBXMJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026657
c1(C(=O)NC(C)c2ccccc2)c2CCCCCc2on1	MCULE-3960095534,PC-id_5307117,ChEMBL-DNDi_CHEMBL1483966,CHEMBL1483966,EMOLS-id_6836370,TIMTEC343873	284.353	NVHAZCNKNDVWBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026658
Brc1cc2-c(c1)ccc(Br)cc2	PC-id_13465555	285.963	RPXADBZJJHSWNR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027381
Cc1ccc(c(c1)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111823453	284.353	NAYDQHGUFQTHBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026659
Cc1ccc(c(c1)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_111823563	284.353	XZLJQBVXJQIGJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026660
C[C@H](NC(=O)c1noc2c1CCCCC2)c1ccccc1	ZINC22_3909302,PC-id_40468993	284.353	NVHAZCNKNDVWBC-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026661
C[C@@H](NC(=O)c1noc2c1CCCCC2)c1ccccc1	ZINC22_3909303,PC-id_40468994	284.353	NVHAZCNKNDVWBC-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026662
CC(=O)c1cccc(c1)OCC1CCCCc2c1nc[nH]2	PC-id_9878933,SCHEMBL6956552	284.353	FMHNPLJAZKGNLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026663
CC(=O)Nc1ccccc1CN1CCCc2c(C1)cco2	EMOLS-id_318498083	284.353	OLESHQZLGLUZKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026664
COc1ccc(cc1)Cn1cc2c(n1)CCCCCC2=O	SCHEMBL365659,PC-id_66667265	284.353	LZQHASUDLATIGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026665
COC1CN(Cc2cccn2C1)C(=O)c1cccc(C)c1	EMOLS-id_55751679	284.353	BUEOCMWFSHCSRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026666
COC1CN(Cc2cccn2C1)C(=O)Cc1ccccc1	EMOLS-id_50012912	284.353	QGSYABYQWIXXTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026667
CO[C@@H]1CN(C(=O)c2cccc(C)c2)Cc2cccn2C1	ZINC22_575404415	284.353	BUEOCMWFSHCSRT-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026668
CO[C@H]1CN(C(=O)c2cccc(C)c2)Cc2cccn2C1	ZINC22_575404418	284.353	BUEOCMWFSHCSRT-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026669
CO[C@@H]1CN(C(=O)Cc2ccccc2)Cc2cccn2C1	ZINC22_247881885	284.353	QGSYABYQWIXXTF-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026670
CO[C@H]1CN(C(=O)Cc2ccccc2)Cc2cccn2C1	ZINC22_247881887	284.353	QGSYABYQWIXXTF-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026671
O1CCN(CC1)CCC(=O)Nc1c2-c(cc1)ccccc2	PC-id_207974	284.353	BGDYJCXFFBKUIE-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-026672
o1nc(c2c1CCCCC2)C(=O)NCCc1ccccc1	CK3122550,ChEMBL-DNDi_CHEMBL1370627,PC-id_3244730,CHEMBL1370627	284.353	ACXJKRAYYKVWBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026673
O=C1c2c(CCCC1)cn(c2)Cc1nc(cc(OC)c1)C	PC-id_83206839	284.353	VDKYWLPRWJNCDK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-026674
OC1c2c(CCCC1)cn(c2)CC(=O)Nc1ccccc1	PC-id_83209645	284.353	BEVZPLICRNWGJY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026675
O=C1CCCCc2c1cnn2CCCOc1ccccc1	PC-id_107384234	284.353	SLPSKVSVIRYWIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026676
O=C(c1noc2c1CCCCC2)Nc1cccc(c1C)C	EMOLS-id_111823450	284.353	FLDVNFUQEYPMRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026677
O=C(C(N1CCCc2c(C1)cco2)C)Nc1ccccc1	EMOLS-id_318704610	284.353	UVJSCMJADFOYEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026678
O=C(C(N1CCCCC1)C)c1c2-c([nH]c1=O)ccccc2	PC-id_85517857	284.353	KXOJGARKLSPQQS-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-026679
O=C(n1nc(c2c1CCCCC2)C)OCc1ccccc1	SCHEMBL19646126	284.353	YCDKAHRGFYOUKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026680
OC(=O)c1cc2c(n1C)CCN(CC2)Cc1ccccc1	SCHEMBL11185338,PC-id_20481353	284.353	NCYHIYJRYFTZMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026681
OC(=O)c1ccc(Cn2cc3C(N)CCCCc3c2)cc1	PC-id_83209634	284.353	NWDPZHZVPVMYQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026682
c12C(=O)NCCCc1[nH]c(CCN(C)c1ccccc1)n2	PC-id_72852561,MCULE-8357453714,ZINC22_95357908,EMOLS-id_46606912	284.356	LAFKULXEONLVFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026683
c12C(=O)NCC(C)(C)Cc1[nH]c(CCc1ccccn1)n2	ZINC22_95379580,PC-id_72907792,MCULE-2880894828,EMOLS-id_46635030	284.356	ZPEOFRNLKJYXAQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026684
c12C(=O)NCC(C)(C)Cc1[nH]c(CCc1cccnc1)n2	EMOLS-id_46610374,MCULE-5324845480,PC-id_72859477,ZINC22_95360343	284.356	VPDLJQOCDRWCTJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026685
c12C(=O)NCC(C)(C)Cc1[nH]c(CCc1ccncc1)n2	PC-id_56756717,EMOLS-id_36608540,MCULE-7240537303,ZINC22_67909806	284.356	TUZMBUPRPVTCSP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026686
C1CCn2c(CC1)nnc2CNc1ccc2c(c1)COC2	MCULE-3510802357,EMOLS-id_318118996	284.356	DVFZWKIPXNNWLK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026687
C1CCn2c(CC1)nnc2CNc1cccc2c1CCO2	MCULE-3012336864,EMOLS-id_318353926	284.356	KREZUYQYMVHKNC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026688
C1CCn2c(CC1)nnc2CNc1cccc2c1OCC2	EMOLS-id_318349307,MCULE-2275103362	284.356	RWGPJIUUOCWPPF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026689
C1CCn2c(CC1)nnc2COc1ccc2c(n1)CCC2	EMOLS-id_319006093	284.356	WIIBEHIWBPIWSE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026690
c1(cn2c(CCNCC2)n1)C(=O)N(C)Cc1ccccc1	EMOLS-id_331102228,MCULE-4320804946,ZINC22_1875243503	284.356	JMSAMFXWEARMJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026691
c1(CN(C)C(=O)c2ccccc2)nnc2CCCCCn12	ZINC22_45057417,MCULE-3564213702,EMOLS-id_44676654,PC-id_52212318	284.356	GTTCJHBUHWLWBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026692
c1(C(=O)NCCc2ccncc2)c2CCCCCc2[nH]n1	EMOLS-id_323251389,MCULE-8186635556	284.356	DQUDZJUWZAXOJH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026693
Cc1ccc2c(c1)N(Cc1nnc3n1CCOCC3)CC2	EMOLS-id_320296909,ZINC22_1614994901,MCULE-9895457874	284.356	WOLBDSJICYVLIW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026694
Cc1ccc(cc1)CCC(=O)N1CCn2c(CC1)nnc2	ChEMBL-DNDi_CHEMBL10223317	284.356	DABZDGVKDZZTHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026695
Cc1ccc(cc1)CNC(=O)N1CCc2c(CC1)nc[nH]2	PC-id_142022566	284.356	QCKORVAXWSZQAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026696
Cc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_257959315,MCULE-3855617407	284.356	AYJJMDTZVVBQOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026697
Cc1ccc(cc1)N(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_278130589	284.356	JRHGNUMTBSGIAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026698
Cc1ccc(cc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101847130	284.356	YEWDXYYFXAMUGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026699
Cc1cccc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101847160	284.356	SOIVLWAUUBWUCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026700
Cc1cccc(C(=O)NCc2n[nH]c3c2CCCCC3)n1	EMOLS-id_50532233,ZINC22_219450801,PC-id_90649078,MCULE-4172137173	284.356	ZPDFQJURLHVADO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026701
Cc1cccc(n1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_316612750	284.356	KFHCTIODJOAKFQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026702
Cc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1	MCULE-4195815954,ZINC22_57531752,PC-id_24249626,EMOLS-id_31875402	284.356	VVWWNEHJKZRTJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026703
Cc1ccnc(c1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319429732	284.356	ZGVYMQOMLIZNPO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026704
CC1CN(Cc2c(C1)[nH]nc2)C(c1ccccc1)C(=O)N	EMOLS-id_319285151	284.356	TUCCVLVVLWRDKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026705
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1N)C	EMOLS-id_319897006,MCULE-7158647507	284.356	PVHMAXRAQRNEIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026706
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(n1)C)C	EMOLS-id_319901370,MCULE-2476151156	284.356	BYPZCTMCBWZHIJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026707
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)nc(c1)C	MCULE-8500022065,EMOLS-id_319956378	284.356	DHKRADDYUMHEGJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026708
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncc(c(c1)C)C	EMOLS-id_319469220	284.356	HANNYWJEGXIFNP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026709
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncc(cc1C)C	MCULE-7715708947,EMOLS-id_320263929	284.356	WSVZMGXAIPKWBA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026710
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(nc1)C	EMOLS-id_319353087	284.356	SBWUOOUGPSWTKH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026711
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1ccncc1)C	EMOLS-id_319921053,MCULE-8089038383	284.356	FXMXHVBVCLQZFL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026712
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cnccc1C	EMOLS-id_319530076	284.356	YEUPHAXNBDNONG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026713
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccncc1	EMOLS-id_319413461	284.356	OWDMZLBVCZZVML-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026714
Cc1cnc(C(=O)N2CCCc3c(cnn3C)C2)cc1C	MCULE-3876538722,PC-id_136565391,EMOLS-id_316944826,ZINC22_822605269	284.356	GLCUKJNHWUBDCE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026715
Cc1cnc(C(=O)N2CCCc3c(cnn3C)C2)c(C)c1	ZINC22_839803757,MCULE-1638076604,EMOLS-id_320396375,PC-id_136547634	284.356	OWCHJKZDWJLXAO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026716
Cc1nnc2CCN(Cc3ccc4OCCc4c3)CCn12	CoCoCo_1351596,ZINC22_12245457,CoCoCo_1351595,MCULE-2396222745,EMOLS-id_20555417,PC-id_42482768	284.356	XEHJYGLXWSMHNZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026717
CCc1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319898941,MCULE-1185226725	284.356	MFBGMLDRUMQBBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026718
CCc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319990655,MCULE-5414629524	284.356	ZHJSYNVMMBXKJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026719
CCc1cccc(n1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101679983	284.356	ODCYWKFDCFEDOT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026720
CCc1cccc(n1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-3339022951,EMOLS-id_319915459	284.356	GUKITIUUXWJBRA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026721
CCc1cccc(NC(=O)N2CCCn3cncc3C2)c1	EMOLS-id_43088193,PC-id_56889662,ZINC22_72138987,MCULE-7765097641	284.356	MXABSYGWBSHNLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026722
CCc1cccnc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674739	284.356	UZNLNZITEOVTIJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026723
Brc1cc2-c(ccc2)ccc1Br	PC-id_85770955	285.963	QAKAMKCOJWHSGJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027382
CCc1ccnc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674790	284.356	ODLXILITOHNZDV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026724
CCc1ccnc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318966378	284.356	QHQKJSRYCZHUCW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026725
CCc1cncc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101676605	284.356	PZACGQDANDTYMU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026726
CCc1cncc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319170610	284.356	OKQVWPKAHKRKSA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026727
CCc1nn(c2c1NC(=O)CCN2Cc1ccccc1)C	MCULE-2746888466	284.356	OTHMFTNYRCHVHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026728
C[C@@H](c1ccccc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319681626	284.356	WAXYUAJVXNERSA-NBFOIZRFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026729
C[C@H](c1ccncc1)NC(=O)c1n[nH]c2c1CCCCC2	MCULE-9905417769,EMOLS-id_320044511	284.356	VAFHVJVFQSKXTB-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026730
C[C@@H](NC(=O)c1cnc2n1CCCCC2)c1ccncc1	EMOLS-id_319953652,ZINC22_1875295907,MCULE-5846193080	284.356	UZNXKSIJNIAMEA-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026731
CCn1nc(c2c1N(CCC(=O)N2)Cc1ccccc1)C	MCULE-9554166822	284.356	CYTHYLDNRQEDTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026732
CN1Cc2cccn2C[C@@H](C(=O)NCc2cccnc2)C1	ZINC22_248149790	284.356	SWLNAXYLFHIWSB-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026733
CN1Cc2cccn2C[C@H](C(=O)NCc2cccnc2)C1	ZINC22_248149794	284.356	SWLNAXYLFHIWSB-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026734
CN1CC(Cn2cccc2C1)C(=O)NCc1cccnc1	EMOLS-id_50014136	284.356	SWLNAXYLFHIWSB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026735
CNc1ccccc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678228	284.356	VNHAGSAGDPRISZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026736
CNc1ccc(C)cc1C(=O)N1CCCn2cncc2C1	ZINC22_72142930,EMOLS-id_43131611,MCULE-5584245462,PC-id_56900529	284.356	IQJDCKGOAIXXGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026737
COc1ccccc1/C=CCN1CCn2c(CC1)nnc2	CoCoCo_1312829,CoCoCo_1312827	284.356	PUHHXOOHTIVTNA-XQRVVYSFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026738
COc1ccccc1/C=C/CN1CCn2c(CC1)nnc2	PC-id_42419046,CoCoCo_1312830,CoCoCo_1312828	284.356	PUHHXOOHTIVTNA-GQCTYLIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-026739
O=C1CCCCc2c1cn(c2)Cc1nnc2n1CCCC2	PC-id_107078466	284.356	ZKUPOZAMTQGUDQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-026740
O(c1c(C=CCN2CCn3c(nnc3)CC2)cccc1)C	PC-id_74801645	284.356	PUHHXOOHTIVTNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026741
O=C1NCC(Cc2c1cn(n2)Cc1cccnc1C)(C)C	EMOLS-id_318126774	284.356	VZRMQPWIDWBZJZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026742
O=C(c1c2c(CCCCC2)[nH]n1)NCCc1ncccc1	EMOLS-id_323251133,MCULE-1045167128	284.356	QETYCHIRYRGDRL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026743
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O=C(N1CCCc2c(C1)cnn2C)CNc1ccccc1	MCULE-3404479075,EMOLS-id_318344543	284.356	MIFLZIFUOYKYFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026748
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O=C(N1CCCc2[nH]cnc2CC1)NCc1ccccc1	PC-id_20803130	284.356	REAADQHXKLMEGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026750
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O=C(NC(c1n2CCCCCc2nn1)C)c1ccccc1	PC-id_60707565	284.356	YCSIYFXDKSUNDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026752
O=C(NCCc1nnc2n1CCCCC2)c1ccccc1	ZINC22_32876299,MCULE-8206177172,EMOLS-id_24010331,CoCoCo_4491026,PC-id_40111127	284.356	GLBHTPKCHUEJJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026753
O=S(=O)(c1nnc[nH]1)N1CCCc2c(C1)ccs2	EMOLS-id_319456085	284.358	AQEKBVJDQJEMIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026754
O=S(=O)(N1CCCn2c(C1)cnn2)c1cccs1	EMOLS-id_316710655	284.358	IKPSBAPCTBSHPW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-026755
c12CN(CCCn1nc(C#N)c2)Cc1nccn1CCC	EMOLS-id_222772432,ZINC22_670454118,MCULE-6900747369	284.359	GIYIBNJYANXUMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026756
NC(=NCc1nnc2n1CCCCC2)Nc1ccccc1	PC-id_110913392	284.359	NEZYICNYDXREOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026757
s1cc2CCOCCOCCOCCO/C=C/c2c1	PC-id_11778624	284.371	XWVZQFNIQVYUHQ-HNQUOIGGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-026758
s1cc2CCOCCOCCOCCOC=Cc2c1	PC-id_73097574	284.371	XWVZQFNIQVYUHQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-026759
Cc1ccc(cc1)OC(=O)C1=Cc2ccsc2CCC1	PC-id_140435506	284.373	WDBAYUBFYXSRTH-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-026760
S(CCc1c2-c(c(c1)C(=O)O)ccccc2)CCC#C	PC-id_85570871	284.373	GGZNEISZHADHSB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026761
S(CCc1c2-c(c(c1)C(=O)OC)ccccc2)CC#C	PC-id_85570918	284.373	WPEXATNVGQPYPI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026762
[n+]12c(C(=Cc3c4-c(cc3)ccccc4)C(=C1C)C)cccc2	PC-id_71333641	284.374	CSGMJQDPAVLGAI-UHFFFAOYSA-N	00000011100000100110000000001010000000000000000000000000	31-01-026763
O[C@@H]1CCC[C@@H](c2c1ncs2)NC(=O)OC(C)(C)C	PC-id_144473217	284.374	WAVLPZDVRWTBHQ-DTWKUNHWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026764
CC1CCN(C1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99299335	284.375	VAXDEXJIBUZVDZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-026765
CC(C)(C)OC(=O)N1CCc2c(CC1)sc(n2)OC	PC-id_86697864,SCHEMBL15282745	284.375	STARPMUCSHKIFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026766
COCC(C(=O)N1CCCCc2c1sc(n2)C)OC	EMOLS-id_319060579	284.375	BTOIMWKFJSBCIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026767
COCCOCC(=O)Nc1nc2CCCCCc2s1	EMOLS-id_334602877,MCULE-2733222545	284.375	BIGACEUROJAGIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026768
O=S1(=O)CCCN1CCN1CCCc2c(C1)cco2	EMOLS-id_99341962	284.375	NRPKTVNYROHLPJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-026769
O=S(=O)(N1CCCc2c(C1)cco2)N1CCCCC1	EMOLS-id_102594554	284.375	FTMZFBMZVPPSBL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-026770
Cc1ccc(/C=N/c2sc3c(c2C#N)CCCCC3)o1	PC-id_9568140,ZINC22_101273021,CoCoCo_3763223	284.376	LKJHUYQTJNIIFZ-VCHYOVAHSA-N	00000000101000000100000000000010000000000000000000000000	31-01-026771
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COCCNC(=O)CSc1nnc2n1CCCCC2	MCULE-1557994862,CHEMBL4560204,ZINC22_6097454,PC-id_7876898,EMOLS-id_33297057	284.378	GRPRJEMYYZSAHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026775
O=S1(=O)CCCCN1Cc1nnc2n1CCCCC2	EMOLS-id_100642802	284.378	VUEUDQRVHDUYRU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-026776
O=S1(=O)CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_98514567	284.378	JXLJIIJUEARPAW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-026777
S1(=O)(=O)CC(NCC1)Cc1n2CCCCCc2nn1	PC-id_80518913	284.378	JRWBGKXHAZBZER-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-026778
S1(=O)(=O)CC(NCc2n3CCCCCc3nn2)CC1	PC-id_54924395	284.378	NBXOOZMZXLUHJW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-026779
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S(c1n2CCCCCc2nn1)CCC(NC)C(=O)O	PC-id_63034502	284.378	VRVMNTVRLVONMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026781
S(c1n2CCCCCc2nn1)CCC(N)C(=O)OC	PC-id_55142825	284.378	PXLSPFDZJKFYCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026782
S(c1n2CCCCCc2nn1)CC(NC)(C)C(=O)O	PC-id_61935461	284.378	FNCHVYJWTOSDMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026783
S(c1n2CCCCCc2nn1)CC(NCC)C(=O)O	PC-id_61935646	284.378	CHMVMIGSVMBZJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026784
S(c1n2CCCCCc2nn1)CC(N)(C)C(=O)OC	PC-id_61932974	284.378	XUZSOJVKLXRIED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026785
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S(c1n2CCCCCc2nn1)CC(N)C(=O)OCC	PC-id_61935648	284.378	URNQFAFHSJGHLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026787
c1(Cc2c3ccccc3[nH]c2)nnc2CCSCCn12	EMOLS-id_317907920,ZINC22_1775980889,PC-id_138808417,MCULE-8086848893	284.379	KNBGMICZFDOUQR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-026788
C1CCc2n(CC1)c(nn2)Cc1nc2c(s1)cccc2	PC-id_2330315,EMOLS-id_42601176,MCULE-2352745904	284.379	ZBYKSJMWLZDUEX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026789
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Nc1nc2c(s1)CCN(CC2)CC#Cc1ccccn1	SCHEMBL9870469,PC-id_54289406	284.379	RWLFHZSMCKTVHY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026791
Nc1nc2c(s1)CCN(CC2)CC#Cc1cccnc1	PC-id_19985806,SCHEMBL9870631	284.379	PHMRDPWOULRUMH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026792
N#Cc1cccc(c1Sc1nnc2n1CCCCC2)C	PC-id_107110786	284.379	LFBXELWMOUUNBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026793
N#Cc1cc(C)ccc1Sc1nnc2n1CCCCC2	PC-id_107930930	284.379	RNQMRROKGOXVTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026794
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N#C/C(=C/c1sccc1C)/c1nnc2n1CCCCC2	CoCoCo_3456354	284.379	PJFPOUQOHKQYGA-XFXZXTDPSA-N	00000000100100000101000000000010000000000000000000000000	31-01-026800
N#CC(=Cc1sccc1C)c1nnc2n1CCCCC2	EMOLS-id_26092871,PC-id_4809592,MCULE-2866263308	284.379	PJFPOUQOHKQYGA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-026801
S(c1n2CCCCCc2nn1)c1c(cc(cc1)C#N)C	PC-id_60928812	284.379	SPBAPIOHZSXURJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026802
S(c1n2CCCCCc2nn1)c1cc(ccc1C#N)C	PC-id_62303657	284.379	JNGWCZWPNBRYDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026803
S(c1n2CCCCCc2nn1)c1cc(c(cc1)C#N)C	PC-id_81282618	284.379	XEFWUUUWSFXJRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026804
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CCc1cc(c2-c1cccc(c2)C(C)C)C(=O)OC(C)C	PC-id_14515742,SCHEMBL10415273	284.393	ZBAZWODOFYQNBB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026807
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O(C(=O)c1c2-c(c(CCCC)c1)cccc(C(C)C)c2)C	PC-id_9971136	284.393	RCFHLVIZVYDJRL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026825
O(C(=O)c1c2-c(c(CCCCCCC)c1)ccccc2)C	PC-id_15152010	284.393	ACJPZBWCNWYDTK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026826
O(C(=O)CCc1c2-c(c(cc(c1)C)C)ccc2)CCCC	PC-id_85604056	284.393	MCZCARZTNJSHDB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026827
O(C(=O)CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)CC	PC-id_85603928	284.393	HGKSTSKNKBQWCZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026828
O(C(=O)CCCc1c2-c(c(cc(c1)C)C)ccc2)C(C)C	PC-id_85604075	284.393	RXUXLTFYQQUQPD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026829
O(C(=O)CCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)C	PC-id_85603939	284.393	JYGXJQOPNFKSIM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026830
O(C(=O)CCCCCc1c2-c(c(cc(c1)C)C)ccc2)C	PC-id_85604088	284.393	KDBUOYYJPDSFBV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026831
OC(=O)CCCCCCc1c2-c(c(cc(c1)C)C)ccc2	PC-id_85604092	284.393	HAVGZNKIQLVVPD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026832
c12-c(c(cc(cc1C)C)C=CC=Cc1ccccc1)ccc2	PC-id_85944471	284.394	SDLPNBIONGNTCT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-026833
CCCc1sc2c(c1)C(=O)C(CCS2)CC(=O)O	SCHEMBL7287658,PC-id_10613078	284.394	GPQSARWDZKHLHF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026834
CCOC(=O)c1sc(c2c1CCCCC2=O)SC	SCHEMBL7244568,PC-id_70031969	284.394	YSAJDTCJGARLAJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026835
CNC1CCCCc2c1cn(c2)COCc1ccccc1	PC-id_102940149	284.396	QSDBAANBJCGLDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026836
c1cc2-c(c(cc(cc2)Br)Br)c1	PC-id_134982612	285.963	FLJQRXWMAIWKNH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027383
COc1ccc(cc1)C(C)(C)c1n[nH]c2CCCCCc12	EMOLS-id_337932312	284.396	DDFVPJISYXKMGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026837
O1CCN(Cc2c3-c(cc(C(C)C)cc2)cc(N)c3)CC1	PC-id_608036	284.396	XHYZCUKBLFIDJS-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-026838
O(c1ccc(CCn2cc3C(N)CCCCc3c2)cc1)C	PC-id_83210009	284.396	OVSKBBAQNHYRCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026839
O(c1ccc(Cn2cc3C(NC)CCCCc3c2)cc1)C	PC-id_83210933	284.396	APCSCTZKXSOGJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026840
Oc1ccc(Cn2cc3C(NCC)CCCCc3c2)cc1	PC-id_83211142	284.396	SKBQDJQMFBLGBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026841
O(c1cc(Cn2cc3C(NC)CCCCc3c2)ccc1)C	PC-id_83211536	284.396	WAWURWSXOSTMHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026842
Oc1cc(Cn2cc3C(NCC)CCCCc3c2)ccc1	PC-id_83211143	284.396	RJCUXCOSRUWUMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026843
O(c1c(Cn2cc3C(N)CCCCc3c2)cc(cc1)C)C	PC-id_83210760	284.396	QGSVFEOZFVMFND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026844
O(c1c(Cn2cc3C(NC)CCCCc3c2)cccc1)C	PC-id_83209248	284.396	HZYDHGJIIDWIJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026845
OCc1ccc(cc1)Cn1cc2c(c1)CCCCC2NC	PC-id_104017582	284.396	UYZLMVTURKHKEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026846
O(CCCn1cc2C(N)CCCCc2c1)c1ccccc1	PC-id_83209455	284.396	WABKMRKGINSVFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026847
O(CCn1cc2C(NC)CCCCc2c1)c1ccccc1	PC-id_83210607	284.396	ZZTSMXRXDKZSMM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026848
N#Cc1c(sc2c1CCCCC2)NS(=O)(=O)CC	EMOLS-id_315251699,PC-id_64593133	284.398	VWKBEFDRAGHZMM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026849
Cc1cccc(c1)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318064602,MCULE-2199623812	284.399	CRSYODXMQOKNGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026850
Cc1ccc(cc1)C(NCc1nnc2n1CCCCC2)C	MCULE-9551922092,EMOLS-id_318030699	284.399	REQRBNXLQLBXQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026851
Cc1ccccc1CNC(c1nnc2n1CCCCC2)C	PC-id_43426004,MCULE-5031048887	284.399	LIHBIDANLLPPOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026852
Cc1ccccc1CN[C@H](C)c1nnc2n1CCCCC2	CoCoCo_4689387,PC-id_93044299,ZINC22_35229464	284.399	LIHBIDANLLPPOC-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026853
Cc1ccccc1CN[C@@H](C)c1nnc2n1CCCCC2	CoCoCo_4689388,PC-id_93044297,ZINC22_35229462	284.399	LIHBIDANLLPPOC-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026854
Cc1cc(C)c(c(c1)C)NCc1nnc2n1CCCCC2	PC-id_7523867,MCULE-4501286434,EMOLS-id_318083287	284.399	KOTMCQWKTQHLRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026855
Cc1ccc(CN2CCc3nnc(C(C)C)n3CC2)cc1	PC-id_28312532,EMOLS-id_20422505,MCULE-3637617496,ZINC22_19744515,CoCoCo_1162122,CoCoCo_1162123	284.399	SUCBWOQKVZOGBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026856
CC1CN(Cc2cccc(c2)N(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_318769789	284.399	BXFPEXZPPHYRKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026857
CC1CN(Cc2cccc(n2)C(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319629840	284.399	FZAVLFBEGJFYIT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026858
CC1CN(CCc2ncc(cc2C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319287377	284.399	LUVBUSASQPSNJS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026859
Cc1nnc2n1CCN(Cc1ccc(C(C)C)cc1)CC2	PC-id_42321795,CoCoCo_1133964,EMOLS-id_20401596,MCULE-3746942750,CoCoCo_1133965,ZINC22_11969192	284.399	XCBBSTUFQAZDBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026860
CC(c1ccccc1)CNCc1nnc2n1CCCCC2	EMOLS-id_50952500,PC-id_121698386,MCULE-5164494311	284.399	CLJUGZRHLVKLDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026861
CC(c1ccccc1C)NCc1nnc2n1CCCCC2	MCULE-6343032373,EMOLS-id_318054243	284.399	NFVLJVPHFROKJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026862
CCc1ccc(cc1C)NCc1nnc2n1CCCCC2	MCULE-7181821268,EMOLS-id_318308397	284.399	CBEWZWXYWYQZHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026863
CC(c1ccccc1)(NCc1nnc2n1CCCCC2)C	EMOLS-id_318273245,MCULE-7363454985	284.399	HZIURAIEHVKVSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026864
CC(c1ccccc1NCc1nnc2n1CCCCC2)C	EMOLS-id_318297670,MCULE-9595936567	284.399	AWJZMSFWYTZDSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026865
CCc1cccc(c1NCc1nnc2n1CCCCC2)C	MCULE-3908850149,EMOLS-id_318309679	284.399	RSLDMRKLFCJDNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026866
CC(c1ccc(cc1)NCc1nnc2n1CCCCC2)C	MCULE-9424325793,PC-id_7523876,EMOLS-id_318296146	284.399	KSXCIPJYGFBKEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026867
CCc1ccc(nc1NCc1cnc2n1CCCCC2)C	MCULE-2167549088,EMOLS-id_318569845	284.399	GPMUGIWBCUJMQI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026868
CCCc1ccc(NCc2nc3n(n2)CCCCC3)cc1	MCULE-3203001357,ZINC22_28527795,PC-id_16458761,CoCoCo_6601910	284.399	UNWVQUOFWRODLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026869
C[C@@H](c1ccccc1C)NCc1nnc2n1CCCCC2	EMOLS-id_318627055,MCULE-5888891484	284.399	NFVLJVPHFROKJK-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026870
C[C@H](c1ccccc1C)NCc1nnc2n1CCCCC2	MCULE-3725154428,EMOLS-id_318053987	284.399	NFVLJVPHFROKJK-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026871
CC(Nc1ccc(cc1)Cc1nnc2n1CCCCC2)C	EMOLS-id_318287088,MCULE-6219655644	284.399	QPBFBUIDEGDYIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026872
CCNc1ccccc1CN1CCCc2c(C1)cnn2C	MCULE-3299151698,EMOLS-id_318505945	284.399	UHPVITPKEGZLLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026873
CNc1ccc(cc1CN1CCCc2c(C1)cnn2C)C	EMOLS-id_318701914,MCULE-9545960060	284.399	DWGWYIYXUUQNRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026874
CN(C)c1cccc(CN2CCCc3c(cnn3C)C2)c1	ZINC22_664863415	284.399	NTUVQOGFVYCCAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026875
CN(Cc1[nH]nc2c1CCCCC2)CCc1cccnc1	CoCoCo_1157293,CoCoCo_1157292,CoCoCo_1157294,CoCoCo_1157295	284.399	VNYIKVAWKIQCTA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-026876
CN(CCc1ccccc1)Cc1cc2CNCCCn2n1	EMOLS-id_43134668,ZINC22_72145112,MCULE-7858423475,PC-id_56901570	284.399	FAPAYTDDQRLKAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026877
CN(C)Cc1cnc2CCN(Cc3ccccc3)CCn12	ZINC22_96196782,EMOLS-id_44328495,PC-id_97466927	284.399	SLRBEJREWZWKGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026878
n12CCCCCc1nnc2C(NC(c1ccccc1)C)C	PC-id_43425997	284.399	DPWYWTUMLOCNRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026879
n12CCCCCc1nnc2C(NCc1ccc(cc1)C)C	PC-id_43425999	284.399	YZABZEBDTVEANI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026880
n12CCCCCc1nnc2C(NCc1cc(ccc1)C)C	PC-id_43426016	284.399	WTJLYPVLISVDPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026881
n12CCCCCc1nnc2C(NCCc1ccccc1)C	PC-id_43425998	284.399	COQMGJKVJNESHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026882
n1(C2CC2)c(Cn2cc3C(NC)CCCCc3c2)cnc1	PC-id_83209253	284.399	QDXYSWHHVWUDCU-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-026883
N1C(CC(Nc2nc3-c(n2)ccccc3)CC1(C)C)(C)C	PC-id_85672367	284.399	BGFHNTISBXWGFV-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-026884
N(C1CCCCc2c1cn(c2)Cc1ncccn1)CCC	PC-id_83210962	284.399	LQUJFICEDSGPEN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-026885
S(c1c2-c(c(cc(cc2C)C)C)c(SC#N)c1)C#N	PC-id_12285331	284.399	HQWMREUBRAHEAT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026886
C1CCc2c(CC1)sc(c2)C(=O)NNC(=S)NN	PC-id_137708395	284.401	HSCOGRWMCPMJNI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026887
CCCCCCCCOC1COc2c(OC1)csc2	PC-id_68011864,SCHEMBL10025618	284.414	LGRCVHZODQBLMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026888
Cc1cccc(c1C)C(=O)c1cc2c(s1)CCCCC2	PC-id_114970159	284.416	ZACBUEMLIIAYPC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026889
Cc1cc(C)cc(c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_114963018	284.416	HRMHVUCLCNUVTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026890
CCc1cccc(c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_115788831	284.416	WBCOLKLLPWRUPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026891
O=C(c1cc2c(s1)CCCCC2)CCc1ccccc1	PC-id_114962860	284.416	XGCOACSBJPQNLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026892
s1c2CCCCCc2cc1C(=O)c1c(ccc(c1)C)C	PC-id_43462513	284.416	HSOBJDUJOOPDCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026893
s1c2CCCCCc2cc1C(=O)c1c(cc(cc1)C)C	PC-id_43462717	284.416	WHCJFYMMHPWZDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026894
s1c2CCCCCc2cc1C(=O)c1ccc(cc1)CC	PC-id_43462871	284.416	REVHGTLQGFZMNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026895
s1c2CCCCCc2cc1C(=O)c1cc(c(cc1)C)C	PC-id_43463381	284.416	XIHUGUQCQYMAJF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026896
s1c2CCCCCc2cc1C(=O)Cc1c(cccc1)C	PC-id_63526475	284.416	HORHEWFORUOWBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026897
s1c2CCCCCc2cc1C(=O)Cc1ccc(cc1)C	PC-id_63527340	284.416	BKWPVCIWSRJUMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026898
s1c2CCCCCc2cc1C(=O)Cc1cc(ccc1)C	PC-id_63528387	284.416	PCWIAZRUQOZULY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026899
CC(c1c[nH]c2c1CN(CCC2)S(=O)(=O)C(C)C)C	PC-id_118489247,SCHEMBL17229720	284.418	YIEUWXSZBLBQHV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026900
CCCS(=O)(=O)CCn1cc2c(c1)CCCCC2N	PC-id_106717808	284.418	NMIXVLMVQMMPGT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026901
CCn1cc(c2c1CCCN(C2)S(=O)(=O)C)C(C)C	SCHEMBL19294048	284.418	HUFFHQRPMSIQAZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026902
NC1CCCCc2c1cn(c2)CCS(=O)(=O)C(C)C	PC-id_106717806	284.418	NNMDBYLCYSUXNJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026903
S(=O)(=O)(CCCn1cc2C(N)CCCCc2c1)CC	PC-id_83208638	284.418	CAYUTJNXPLMGME-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026904
S(=O)(=O)(CCCn1cc2C(NC)CCCCc2c1)C	PC-id_83208724	284.418	MNGJGUOPOOYPMD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026905
S(=O)(=O)(CCn1cc2C(NC)CCCCc2c1)CC	PC-id_83208464	284.418	ZRDYEAYCFYOCSI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026906
S(=O)(=O)(CCn1cc2C(NCC)CCCCc2c1)C	PC-id_83212836	284.418	PPRKFRYDRWEQQU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026907
Cc1ccc(cc1C)/C=C/c1nc2c(s1)NCCCC2	SCHEMBL8317056,PC-id_15069504	284.419	YJHHFTDGVPTDRX-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026908
CCC1=Cc2c(C=CC1)c(c([nH]2)C)[N+](=N)C1CCC(C1)C	PC-id_137153916	284.419	VMDSMWOZINVREI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026909
s1c2NCCCCc2nc1C=Cc1cc(c(cc1)C)C	PC-id_54511275	284.419	YJHHFTDGVPTDRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026910
CCCC(C(Sc1nnc2n1CCCCC2)CO)N	PC-id_114370147	284.421	SLPRWZYRGHDCSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026911
CCNC(CSc1nnc2n1CCCCC2)COC	PC-id_107511299	284.421	GJMAAFRLBLBEDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026912
OCC(C(C(C)C)N)Sc1nnc2n1CCCCC2	PC-id_114370145	284.421	OBTAQYKMDYGKKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026913
S(c1n2CCCCCc2nn1)CCCNCCOC	PC-id_62576485	284.421	DROIXJJWURIMLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026914
S(c1n2CCCCCc2nn1)CCC(OCC)CN	PC-id_63072014	284.421	FMYYNCSQPHBKKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026915
S(c1n2CCCCCc2nn1)CC(NCC)CCO	PC-id_64927350	284.421	QBYSMLYWSRSPBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026916
S(c1n2CCCCCc2nn1)CCNCCCOC	PC-id_62578363	284.421	HQINJSHVTUTRLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026917
S(c1n2CCCCCc2nn1)CCNC(COC)C	PC-id_62576275	284.421	YBJBCOOHIUNPHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026918
S(c1n2CCCCCc2nn1)C(CNCCOC)C	PC-id_62576690	284.421	RDEOJHDLUFWWLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026919
S(c1n2CCCCCc2nn1)CCNCCOCC	PC-id_62579436	284.421	GPWYFIFJEDUGBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026920
S(c1n2CCCCCc2nn1)CC(O)CNC(C)C	PC-id_43166373	284.421	UMZWHGLEDHYCEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026921
S(c1n2CCCCCc2nn1)CC(O)CNCCC	PC-id_43343278	284.421	CVDDFZZESVPHOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026922
O=c1oc2-c(c1C#C[Si](C)(C)C)cc(ccc2)C(C)C	PC-id_101952416	284.425	RSIGIYOZXGRCLG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026923
C/C/1=Cc2cc(c(o2)CC(CC/C(=CCC1)/C)C(=C)C)C	PC-id_101662970	284.436	SWPNVFAQQYRAQN-JJFKSMKPSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026924
C/C/1=Cc2cc(c(o2)C[C@H](CC/C(=CCC1)/C)C(=C)C)C	PC-id_101622336	284.436	SWPNVFAQQYRAQN-VFHHNJCYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026925
o1c2CC(CC/C(=C/CCC(=Cc1cc2C)C)/C)C(=C)C	PC-id_10107969	284.436	SWPNVFAQQYRAQN-HYDSQFRFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026926
o1c2CC(CCC(=CCCC(=Cc1cc2C)C)C)C(=C)C	PC-id_72742986	284.436	SWPNVFAQQYRAQN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026927
S1CCC(C[N+](C)(C)C)C(=O)c2c1sc(c2)CC	PC-id_10764098	284.461	GDMGBYVCQFOECJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026929
S1CCSc2sc(=S)sc2SCC1	PC-id_10334102	284.528	PBENYJQRNSFNJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026930
Cc1ccc(cc1)Nn1c(=O)c(c2-c1ccccc2)Cl	PC-id_101621713	284.74	UHPBQDLBUNAWKN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-026931
ClC1=C(Cc2c(sc(c2)C(=O)OC)CCC1)C=O	PC-id_330615,LI_185627,CoCoCo_5597575,NSC319696	284.759	UEQKXPXMBPDBQT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026932
ClS(=O)(=O)c1c2-c(c(c1)CC)c(OC)cccc2	PC-id_10085310	284.759	CBSKXCYCSZFKEL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026933
Clc1cnc(s1)CNC1CCn2c(CC1)nnn2	EMOLS-id_102000507	284.768	OZPVREOUUJJSCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026934
ClCCCC(=O)NC(c1n2CCCCCc2nn1)C	PC-id_55204253	284.785	CXGGVMXPOBBPGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026935
ClCC(C(=O)NC(c1n2CCCCCc2nn1)C)C	PC-id_62728317	284.785	AVVCNGNAXSEHQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026936
c1(C(=O)Cl)cc2c(CCCCCCCCCC2)s1	MCULE-6660685659,PC-id_46779640,EMOLS-id_29818699	284.845	SLEILXCAGLPUKS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026937
[N-]=[N+]=NC1CCn2c(N(C1=O)C)cc(n2)Br	SCHEMBL18367269	285.101	PXDPJHBTRXFLNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026938
CC1=CC=C(C=C1)NC(=O)C2=CSC3=C2CCCCC3	PC-id_154173540	285.119	DKZBEKUEZQKOQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026939
CC1=Cc2[nH]ccc2[C@@](C=C1)(C)I	PC-id_142152437	285.124	WUHYURVMNFODJF-NSHDSACASA-N	00000000100000000110000000000010000000000000000000000000	31-01-026940
CC(C1=CC2=C(C=C1)OCO2)N3CCC4=C(CC3)NN=C4	PC-id_154685593	285.148	AFZJOUNZTJCCKX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-026941
CS(=O)(=O)c1ccc(c2-c(ccc2)c1)Br	PC-id_134993731	285.157	IMXHWZMIBXVHKI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026942
CS(=O)(=O)c1ccc(cc2-c1ccc2)Br	PC-id_134983225	285.157	JCILMVKWQBDIRE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-026943
CC1=CC(=CC=C1)N(C)C(=O)[C@H]2CCC3=NN=NN3CC2	ZINC22_577736027,PC-id_164635180	285.159	ZYFBIERHOOJMQX-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026944
CC(C)N1C2=C(CCC(CCC2(F)F)C(C)(C)C)N=N1	PC-id_164740799	285.202	SJKIOBUIVLHPAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026945
Brc1c2c(sc1)CCC(N=C2N)CC=C	PC-id_53664147,SCHEMBL8195083	285.203	AVJUUPXARIWZHM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026946
Brc1sc2CCC(N=C(N)c2c1)CC=C	PC-id_54117147,SCHEMBL8195025	285.203	NLCQFAWSEYRDTI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026947
O1c2c(OCCC1)c(n(c2C(=O)O)CC(=O)O)C(=O)O	SCHEMBL3252815,PC-id_57738877	285.207	MUVUZVAQPQNBMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026948
O=S(=O)(C(F)(F)F)Oc1n[nH]c2c1CCNCC2	PC-id_141114059	285.244	DBDGJYWYUMDGIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026949
NCCc1cnc2n1OS(=O)(=O)OS(=O)(=O)O2	PC-id_139907463	285.255	AVRRNWYULCIJCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026950
C1C(c2c(NC=N1)n(cn2)Cc1ccc(cc1)C(=O)[O-])O	PC-id_91931328,BindingDB_PC-id_91931328	285.278	KBLFNXASTCIZAU-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-026951
c12nnnn1CCCCC2C(=O)N1CCC(CC1)(F)F	PC-id_74243979,EMOLS-id_49667222,MCULE-6902860724	285.293	YMBTVQHUNWYSOE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-026952
O=C([C@@H]1CCCCn2nnnc12)N1CCC(F)(F)CC1	ZINC22_97675343,PC-id_97934152	285.293	YMBTVQHUNWYSOE-SECBINFHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-026953
O=C([C@H]1CCCCn2nnnc12)N1CCC(F)(F)CC1	ZINC22_97675344,PC-id_97934153	285.293	YMBTVQHUNWYSOE-VIFPVBQESA-N	00000000100010000101000000000010000000000000000000000000	31-01-026954
O=C(N1CCCn2c(C1)cc(n2)N)NC1CC(C1)(F)F	EMOLS-id_319491104	285.293	BSAFLSRASKJEDN-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-026955
o1nc2n(C(CCCC2)CNCC(O)C(=O)OC)c1=O	PC-id_22901421	285.296	PSCXZYWEEWRFFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026956
c12C(=O)N(CCCn1nc(C(=O)O)c2)Cc1ccccc1	MCULE-2305382885,PC-id_53213602,ZINC22_49454666,EMOLS-id_31512470	285.298	BCJVXGGGZQLGSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026957
COc1ccc(cc1)CN1C(=O)CNC(=O)c2c1cc[nH]2	PC-id_101095151	285.298	AXMUITBXMATVHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026958
O=C(N1CCCCc2[nH]ccc12)c1ccc([N+](=O)[O-])cc1	PC-id_85714237	285.298	GQZUCJDSAZBXDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026959
CC1C(=O)Nc2c(NC1=O)n(nn2)CCc1ccccc1	PC-id_135516714	285.301	FFGLGFRCFPXREF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026960
Cc1oncc1C(=O)N1CCCc2c(C#N)nn(C)c2C1	EMOLS-id_46180469,ZINC22_96083733,PC-id_97404572	285.301	WEPCMRKNNUWPQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026961
N#Cc1cn(nc1NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_111948571	285.301	ZGSAENIOOOCDCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026962
N#CC(c1nnc2n1CCCCC2)C(=O)c1ncoc1C	EMOLS-id_98690615	285.301	BPJRMTUOBLMEND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026963
O=C1N(c2n(nnc2N(C(=O)C1)C)Cc1ccccc1)C	PC-id_10016772	285.301	OMUFGEVLDWUADO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026964
O=c1oc2c(n1Cc1nnc3n1CCCCC3)nccc2	EMOLS-id_111778369	285.301	FPUSGGIIJSOYOO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026965
N#CCC(=O)N1CCCn2c(nnc2Cn2cccn2)C1	ZINC22_96259669,PC-id_97519751,EMOLS-id_44370882	285.304	JKCACBWLWVEHRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026966
c12CN(CCCn1nc(C#N)c2)C(=O)NCc1[nH]ccn1	PC-id_119063623,MCULE-3620815444,EMOLS-id_82713433,ZINC22_426470803	285.305	LDWZNIVTCLJGLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026967
O=c1cc(CN2CCCn3nncc3C2)[nH]c2ccnn12	MCULE-8967977105,EMOLS-id_320358319,ZINC22_1262077775	285.305	OLGAWXNZNNIQSP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-026968
CCOC(=O)N1CCc2c(CC1)cc(s2)OC(=O)O	SCHEMBL11319187,PC-id_70562832	285.316	XTYDBDTWMIUECY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026969
CCOC(=O)N1CCCc2c(C1)cc(s2)OC(=O)O	SCHEMBL11316565,PC-id_70562328	285.316	XQSJCGDWNABOFL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026970
S1(=O)(=O)CCCCn2c1cc(c2)C(=O)CC(=O)OC	PC-id_82667624	285.316	FLJWMMNRRCSMHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-026971
O=C(n1c(=S)oc2c1C=CCC=C2)Oc1ccccc1	PC-id_144506254	285.318	LOYSAFDZMRJWNA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-026972
N#Cc1c(cccc1F)NCc1nnc2n1CCCCC2	MCULE-2847914029,EMOLS-id_318580568	285.319	PEPMXXKCRIWSTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026974
N#Cc1cc(ccc1F)NCc1nnc2n1CCCCC2	MCULE-5641451151,EMOLS-id_318377653	285.319	MSWYJXTYVHIYDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026975
N#Cc1ccc(c(c1)F)NCc1nnc2n1CCCCC2	MCULE-8794017167,EMOLS-id_318389778	285.319	NUKONHOPYKHVNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026976
N#Cc1cc(F)ccc1NCc1nnc2n1CCCCC2	EMOLS-id_318387731,MCULE-4854283267	285.319	WOEYNJJMYLETLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026977
N#Cc1cc(NCc2nnc3n2CCCCC3)cc(c1)F	EMOLS-id_318436986,MCULE-4747903501	285.319	FXRVEVNPUXLJQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-026978
[O-][N+](=O)c1ccc(cc1)Nc1nc2c(s1)C=CC=CC2	PC-id_143209354	285.321	BDRWWPBHCWWIOW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-026979
S(=O)(=O)(Nc1nc2-c(n1)ccccc2)c1ccccc1	PC-id_85672499	285.321	WJVDWKBICHATPB-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-026980
FCC(C(=O)O)NC(=O)c1cc2c(s1)CCCCC2	PC-id_121946398	285.334	QNDQIKOVYCUDDT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-026981
FC(C1CCC(CC1)NC1CCc2n(CC1)nnn2)F	EMOLS-id_102000633	285.336	ZBWGRTDGFKRLDR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-026982
c1(c2CCCCCc2oc1N)C(=O)c1ccccc1OC	PC-id_83448087,MCULE-3983245268	285.338	OYQFVKYALQWURT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026983
CCc1cc(ccc1O)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_100663805	285.338	GQTASKCDKRBDGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026984
CCc1ccc(c(c1)O)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_100970290	285.338	VNBXFXSAVJQCDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026985
COC1=CCCC=C(c2c1c(c[nH]2)C(=O)C(=O)C)C(=C)C	PC-id_142107608	285.338	HCFRJTKCZWHMBE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-026986
COc1ccc(C(=O)N2CCCc3occc3C2)c(C)c1	EMOLS-id_177259940,ZINC22_289652086,MCULE-1708492034	285.338	JYAHGWOGORHGSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026987
COC(=O)c1cc(c2-c1ccccc2)CN1CCOCC1	PC-id_101178021	285.338	WNSIFPAXACODMB-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-026988
o1c2c(CCCCC2)c(c1N)C(=O)c1ccc(OC)cc1	PC-id_83448086	285.338	XZCMDITVEHXRKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026989
o1c2c(CCCCC2)c(c1N)C(=O)c1cc(OC)ccc1	PC-id_83448088	285.338	FOHDQJXBNWGFLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026990
OC1c2c(CCCC1)cn(c2)Cc1ccc(cc1)C(=O)O	PC-id_83210414	285.338	YYERXTRUXKAUAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026991
Oc1cccc(c1)CCC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318705560	285.338	MNYKMHZZLPDTJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026992
Oc1ccc(c(c1)C)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_319695789	285.338	WLVJAJQMAFUDTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026993
Oc1cccc(c1)C(C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_279121460	285.338	FXGXXACGJMTPMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026994
O=C(N1CCCc2c(C1)cco2)c1cc2c(o1)CCCC2	EMOLS-id_319548367	285.338	SYGZSXRKBNCQEJ-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-026995
O=C(N1CCCc2c(C1)cco2)[C@H](Cc1ccccc1)O	EMOLS-id_318448529	285.338	SENBQQPEDFFJMQ-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-026996
c1(ccc2NC(=O)/C(=Cc3ccc4-c3ccccc4)/c2c1)C	PC-id_52948729,BindingDB_PC-id_52948729,CHEMBL1257682	285.339	MBPQUHCWDKKYGR-PDGQHHTCSA-N	00000010100000100110000000001010000000000000000000000000	31-01-026997
c1ccc2NC(=O)/C(=C/c3cc(c4-c3ccccc4)C)/c2c1	BindingDB_PC-id_52941426,SCHEMBL3283165,CHEMBL1257683	285.339	VPBCZAHOASOEIJ-LDADJPATSA-N	00000010100000100110000000001010000000000000000000000000	31-01-026998
c1ccc2NC(=O)/C(=Cc3cc(c4-c3ccccc4)C)/c2c1	BindingDB_PC-id_52945585,PC-id_52945585,SCHEMBL3283166,CHEMBL1257803	285.339	VPBCZAHOASOEIJ-PDGQHHTCSA-N	00000010100000100110000000001010000000000000000000000000	31-01-026999
C1OCCOCCCc2nnn(CCOCCOC1)c2	PC-id_139187393,CT-id_7119550	285.339	FGHPHCPZYONMBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027000
Cc1ccc2c(c1)C(=Cc1ccc3-c1ccccc3)C(=O)N2	PC-id_59301655,SCHEMBL3284992	285.339	MBPQUHCWDKKYGR-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-027001
Cc1ccc2c(c1)/C(=Cc1ccc3-c1ccccc3)/C(=O)N2	SCHEMBL3284988	285.339	MBPQUHCWDKKYGR-LDADJPATSA-N	00000010100000100110000000001010000000000000000000000000	31-01-027002
O=C1Nc2c(C1=Cc1c3-c(c(c1)C)ccccc3)cccc2	PC-id_52941426	285.339	VPBCZAHOASOEIJ-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-027003
O=C(c1c(c(c2-c1ccccc2)CC#N)C)c1ccccc1	PC-id_10902178	285.339	MUXOCFYUMLMLBX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-027004
c12cnn(C)c1CCCN(C2)C(=O)c1ccccc1OC	ZINC22_19289666,PC-id_92566466,EMOLS-id_43236753,MCULE-3297715733,ART-19035186	285.341	IFXHRXSTFVIRBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027005
c12C(=O)NCCCc1[nH]c(Cc1ccc(cc1)OCC)n2	MCULE-4116275188,EMOLS-id_48644794,ZINC22_95525358,PC-id_72920836	285.341	SQNKTWJDFQXSHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027006
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1ccc(cc1)O)n2	EMOLS-id_46620772,PC-id_72879652,ZINC22_95368505,MCULE-4956848418	285.341	FUUJMNILUFVKIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027007
c12C(=O)NCC(C)(C)Cc1[nH]c(C(O)c1ccccc1)n2	MCULE-9911803976,PC-id_72840592,EMOLS-id_46601020	285.341	QRZXTSZSXDNUSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027008
c12C(=O)NCC(C)(C)Cc1[nH]c(COc1ccccc1)n2	ZINC22_65455853,MCULE-4711483157,EMOLS-id_32416398,PC-id_50973654	285.341	PPKLXKBUNMVKRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027009
c1(C(=O)Nc2cccc(O)c2)c2CCCCCCc2[nH]n1	ZINC22_257260531,PC-id_110089354,BDD-25323787,EMOLS-id_46576495,MCULE-6317544780	285.341	LDGYCXQNCMRAMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027010
Cc1ccccc1C(=O)N1Cc2ccnn2CCC1CO	EMOLS-id_313819168	285.341	XSSVNGWYFGAECD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027011
Cc1ccccc1C(=O)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585098416	285.341	XSSVNGWYFGAECD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027012
Cc1ccccc1C(=O)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585098418	285.341	XSSVNGWYFGAECD-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027013
Cc1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)O	EMOLS-id_101667416	285.341	ZBOKABORDRGLSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027014
Cc1ccc(c(c1)O)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101667359	285.341	SOTSUUXZACYLTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027015
Cc1ccc(NC(=O)c2n[nH]c3CCCCCc23)c(O)c1	EMOLS-id_335019568,MCULE-2236958487	285.341	SVXYQESGKKAVOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027016
Cc1ccc(O)c(NC(=O)c2n[nH]c3CCCCCc23)c1	EMOLS-id_334985027,MCULE-4423690353	285.341	PGDDNZHTCFQQCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027017
CC1(C)CNC(=O)c2nc([C@H](O)c3ccccc3)[nH]c2C1	PC-id_97187375,ZINC22_95353504	285.341	QRZXTSZSXDNUSL-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027018
CC1(C)CNC(=O)c2nc([C@@H](O)c3ccccc3)[nH]c2C1	ZINC22_95353505,PC-id_97187376	285.341	QRZXTSZSXDNUSL-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027019
Cc1cc(O)ccc1NC(=O)c1n[nH]c2CCCCCc12	MCULE-1984786164,EMOLS-id_323255219	285.341	SNJCAIKPBJOYMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027020
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1O)C	EMOLS-id_318964789	285.341	WOEDXBXQUGKTFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027021
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1O)C	EMOLS-id_318994593	285.341	MOPMOBRSUQOYIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027022
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)ccc1O	EMOLS-id_318940513	285.341	VLJNMUVDTHJAPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027023
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1occ2c1CCC2	EMOLS-id_319472447	285.341	MXQTXKAYLUQZHN-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-027024
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1ccccc1)O	EMOLS-id_318912107	285.341	BKASOBOFXIQZML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027025
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H](c1ccccc1)O	EMOLS-id_319153067	285.341	BKASOBOFXIQZML-JOPIAHFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027026
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@H](c1ccccc1)O	MCULE-1548970809,EMOLS-id_320153658	285.341	BKASOBOFXIQZML-MHTVFEQDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027027
CCC1Cc2c(O)[nH]nc2CCN1C(=O)c1ccccc1	SCHEMBL13846884,PC-id_71011936	285.341	XJZNVMRWTUCIMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027028
CCc1ccncc1NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_319168203	285.341	XYWZAKRARMIAHU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027029
C#CCCC1(CCC(=O)N2CCCc3occc3C2)N=N1	EMOLS-id_316801305,ZINC22_888095951,MCULE-8784926921	285.341	GAZACCCHVNNLPC-UHFFFAOYSA-N	00110000100000000101000000000010000000000000000000000000	31-01-027030
CCNc1cccnc1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319754740	285.341	FICBKOHIRXWWGA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027031
CCN(C(=O)Cn1c(=O)nc2-c1ccccc2)CC(=C)C	EMOLS-id_318913711	285.341	HYWGWPXJAXWSQV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-027032
Cn1nc(c(c1)C(=O)N1CCCc2c(C1)cco2)C1CC1	EMOLS-id_99654567	285.341	IBUOEYNDSLUCBU-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027033
CN(c1ccncc1C(=O)N1CCCc2c(C1)cco2)C	MCULE-9005000702,EMOLS-id_316818926	285.341	ZHFDHUUWLHEYGK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027034
CNc1nc(C)ccc1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_278814193	285.341	PLFHNRQDTKOBKY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027035
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCCN2C	SCHEMBL367366,PC-id_66667954	285.341	KUKSRJDSMWKWEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027036
COc1ccc(cc1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318971670	285.341	FNXNPLOZSMPWCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027037
COc1ccccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319481640	285.341	LDIRISPZLYELKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027038
COc1ccccc1NC(=O)c1n[nH]c2CCCCCc12	MCULE-4773299776,EMOLS-id_323254711	285.341	QKIYSRULAPBUIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027039
COc1cccc(NC(=O)c2n[nH]c3CCCCCc23)c1	EMOLS-id_323250105,MCULE-7175810363	285.341	IHXPQRMJQWUQAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027040
COc1ccc(C(=O)N2CCCc3c(cnn3C)C2)cc1	ZINC22_72398444,PC-id_73945523	285.341	KIBLZVKPGYKNHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027041
COc1ccc(NC(=O)c2c3c(CCCCC3)[nH]n2)cc1	MCULE-6753393860,EMOLS-id_323249080	285.341	WZLXRRTXLYJJPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027042
COc1nn(C)c2c1CCCN(C(=O)c1ccccc1)C2	EMOLS-id_44366608,ZINC22_96254449,PC-id_97515500	285.341	WCHZPIHIXMLPCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027043
COC(=O)C1CCn2nccc2CN1Cc1ccccc1	MCULE-3467835924,EMOLS-id_266624890	285.341	DSLACVMBJYKHPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027044
COC(=O)C1CCN(Cc2ccccc2)Cc2ccnn12	EMOLS-id_266624888,MCULE-9970833277	285.341	AFXGTDJTYCFXSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027045
COC(=O)[C@@H]1CCn2nccc2CN1Cc1ccccc1	ZINC22_503852569,EMOLS-id_331057060	285.341	DSLACVMBJYKHPW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027046
COC(=O)[C@H]1CCn2nccc2CN1Cc1ccccc1	ZINC22_503852570	285.341	DSLACVMBJYKHPW-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027047
N1(CCCn2cncc2C1)C(=O)[C@@H](O)Cc1ccccc1	EMOLS-id_43168918,PC-id_56913179,MCULE-8901006334,ZINC22_72167524	285.341	HXGGTJBEWHEXNU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027048
Oc1cccc(c1)CCC(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319028000	285.341	LAFNFSZMOYQXLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027049
Oc1ccc(c(c1)C)CC(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319515805	285.341	CJYQUYIYWIKQEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027050
Oc1ccc(cc1)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101669293	285.341	HYPVSFJQVXCCAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027051
O=c1n2CCCCCc2nn1CC(=O)c1ccc(cc1)C	PC-id_60747073	285.341	IGVMVFKPYLACST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027052
O=c1n2CCCCCc2nn1CC(=O)c1c(cccc1)C	PC-id_62025644	285.341	CQNNSGRSTOHNRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027053
O=c1n2CCCCCc2nn1CC(=O)c1cc(ccc1)C	PC-id_62025645	285.341	XPBAQHNOYBBQND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027054
O=c1n2CCCCCc2nn1CC(=O)Cc1ccccc1	PC-id_62025466	285.341	ABKPKSOJRVVWBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027055
O=c1nc2-c(n1CCN1CC3CCC(C1)O3)ccccc2	EMOLS-id_318990754	285.341	XNEBKFLTIBKVPR-UHFFFAOYSA-N	00000010100010000111000000000110000000000000000000000000	31-01-027056
O=C1NCCCc2[nH]c(nc12)Cc1c(OCC)cccc1	PC-id_72839624	285.341	HMYGHHHLDIGGNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027057
O=C(c1cc2c(o1)CCCC2)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319499415	285.341	GKZJYUACBUHOTD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027058
O=C(c1cc2n(n1)CCCC2)N1CCCc2occc2C1	ZINC22_333031057,EMOLS-id_101307948,MCULE-9858736588	285.341	BVCBVERVLVRYTB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027059
O=C(c1ccccc1)CCn1nc2n(c1=O)CCCCC2	PC-id_116691903	285.341	YRDKIWMXVJEPPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027060
O=C(c1ccc(c(c1)C)O)N1CCCc2c(C1)cnn2C	EMOLS-id_101846329	285.341	GLGXXVGGKYIETE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027061
O=C(c1cccc(c1O)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101668251	285.341	CMOUWLNIVHXWDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027062
O=C(c1ccc(c(c1)O)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101846467	285.341	WZEWOPDMMDPBCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027063
O=C(c1ncc2n1CCCC2)N1CCCc2c(C1)cco2	EMOLS-id_316703518	285.341	YAPMSIGMTPXJAJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027064
O=C(c1nn(c(c1)C1CC1)C)N1CCCc2c(C1)cco2	EMOLS-id_99370774	285.341	QASDZJGRXPDDQF-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027065
O(CC(=O)N1CCCn2c(C1)cnc2)Cc1ccccc1	PC-id_56899609	285.341	BRZMTQLHBUTBRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027066
OC(C(=O)N1CCCn2c(C1)cnc2)Cc1ccccc1	PC-id_76439259	285.341	HXGGTJBEWHEXNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027067
O(Cn1c2c(nc1)CCN(C(=O)C2)C)Cc1ccccc1	PC-id_73292799	285.341	FWAKKSHRLSDHNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027068
O=C(N1CCc2c(CC1)nc[nH]2)OCCc1ccccc1	PC-id_142022562	285.341	DSQIXBIQFHPIFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027069
O=C(N1CCCc2c(C1)cco2)C1CCn2c(C1)cnc2	EMOLS-id_99615270	285.341	HCLPOJQQWPZNKH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027070
O=C(N1CCCc2c(C1)cco2)C1CCn2c(C1)ncc2	EMOLS-id_99615267	285.341	HYPJUTZSFLXNJQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027071
O=C(N1CCCc2c(C1)cco2)NCc1cccnc1C	EMOLS-id_316732690	285.341	DIJDOMNGAYQULK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027072
O=C(N1CCCc2c(C1)cco2)NCc1cnccc1C	EMOLS-id_101580960	285.341	HENWHSUHHZNHIB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027073
O=C(N1CCCc2c(C1)cco2)N[C@H](c1cccnc1)C	EMOLS-id_99684479	285.341	KICGKUQHCCRTJY-LBPRGKRZSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027074
O=C(N1CCCCCC1)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_319271567	285.341	DUCORBXGPWTVEE-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-027075
OC(=O)c1ccc(cc1)CC1CCCCCc2c1n[nH]n2	PC-id_144590191	285.341	ZFMZCIVGVAYQDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027076
OC(=O)c1ccc(cc1)CN1CCCc2c(C1)cnn2C	MCULE-1313910808,EMOLS-id_318453183	285.341	CMGOGPHKNFSBRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027077
OC(=O)c1cccc(c1)CN1CCCc2c(C1)cnn2C	MCULE-6169884533,EMOLS-id_318744715	285.341	FHMPPOKQOMPXGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027078
O(C(=O)N1CCCc2[nH]cnc2CC1)Cc1ccccc1	PC-id_20803089	285.341	MLJKXTBBXNONGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027079
[O-][N+](=O)c1ccc(Cn2cc3C(N)CCCCc3c2)cc1	PC-id_83209437	285.341	KMBQIXOBYHSVDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027080
[O-][N+](=O)c1cc(Cn2cc3C(N)CCCCc3c2)ccc1	PC-id_83206155	285.341	ARODQXZRTLKFJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027081
[O-][N+](=O)c1c(Cn2cc3C(N)CCCCc3c2)cccc1	PC-id_83211908	285.341	AXDBCFIHWWSHND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027082
c12CN(CCCn1nc(C#N)c2)Cc1coc(C(C)C)n1	MCULE-4644038595,EMOLS-id_177366130,ZINC22_584885237	285.344	UEHNGVOGQYQRMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027083
c1(c2CCCCCc2[nH]n1)C(=O)N1CCc2c([nH]cn2)C1	ZINC22_647736001,EMOLS-id_323250101,MCULE-2932999440	285.344	VBYRLGOYOQJRGB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027084
c1(C(=O)NC(C)c2cccnc2)nnc2CCCCCn12	PC-id_122559414,EMOLS-id_177389752,MCULE-7529673353	285.344	DGAXZDHSSZEVLV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027085
Cc1ccc(c(c1)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102170021	285.344	IPSAYMOJKXYTSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027086
Cc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102170057	285.344	SUVMZASZCNTTOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027087
Cc1cccc(c1)N(C(=O)C1CCn2c(CC1)nnn2)C	EMOLS-id_316880308,MCULE-8730260387	285.344	ZYFBIERHOOJMQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027088
Cc1cccc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318794545	285.344	GLVWSHYHFBMMEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027089
Cc1ccc(cc1)NC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-9777336008,EMOLS-id_320339759	285.344	PWLHYWCWLXNQSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027090
Cc1cc(C)cc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102171491	285.344	MKVIYUJIAJKUQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027091
Cc1cccc(C(=O)NCc2nnc3n2CCCCC3)n1	EMOLS-id_31880961,ZINC22_40493407,MCULE-8248124156,PC-id_45807073,CoCoCo_4682251	285.344	FQQFUFZMIMWHDU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027092
Cc1cccc(n1)N(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_320254380,MCULE-4024366013	285.344	DXGXVLIEIHFEBV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027093
Cc1cccc(N(C)C(=O)[C@@H]2CCc3nnnn3CC2)c1	ZINC22_577736026	285.344	ZYFBIERHOOJMQX-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027094
Cc1ccc(C(=O)NCc2nnc3n2CCCCC3)cn1	EMOLS-id_27388487,ZINC22_32902615,PC-id_40138846,CoCoCo_4625797,MCULE-8167264355	285.344	DKFAIJVOZHRNAN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027095
Cc1ccc(nc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945583	285.344	YCFVAQTXOKWRCG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027096
Cc1ccnc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945520	285.344	GNDXGTSVDQUGGT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027097
Cc1ccnc(n1)CNC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_278931167	285.344	TVNVFZKSPWZEJY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027098
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)n1cccn1	EMOLS-id_319040998	285.344	FRGWZBXJAQOISK-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027099
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)nnc1C	EMOLS-id_319023977	285.344	DDIIIBQQWBYMGV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027100
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn2c(n1)CCC2	EMOLS-id_319174391	285.344	WWELGGHGONTWSD-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-027101
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc2n1CCC2	EMOLS-id_318857167	285.344	NMEFCFIRDAKVEU-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-027102
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c[nH]c(n1)C1CC1	EMOLS-id_319290722	285.344	RLKWWJLMRPAGAC-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027103
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn2c1CCC2	EMOLS-id_318945759	285.344	IYUZCAWBTMQEED-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-027104
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nn2c(c1)CCC2	EMOLS-id_319846492	285.344	UAEGNVLSWGRLEQ-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-027105
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318832341	285.344	SCXABTSJYHAKIZ-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-027106
COCC1CN(Cc2nccn2C1)S(=O)(=O)C1CC1	EMOLS-id_46148457	285.363	RJHJCESXHGNLFQ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-027173
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1n[nH]c(c1)C1CC1	EMOLS-id_320201734,MCULE-5846431900	285.344	TZHSSQYPNSGVKF-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027107
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccncn1	EMOLS-id_319076827	285.344	RSEFRLKSDXUHLU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027108
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1cnccn1	MCULE-9054665194,EMOLS-id_320253895	285.344	KIWAUQZCPLSKJP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027109
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1cncnc1	EMOLS-id_319610141	285.344	ZCWSHGVMHISTGC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027110
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ncccn1	MCULE-7782872023,EMOLS-id_319997899	285.344	VZCIWEONDVSKJK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027111
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1	EMOLS-id_319743354	285.344	UEAWRZVZZWHWKZ-JZXPMDSESA-N	00100000100000000101100000000010000000000000000000000000	31-01-027112
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CC(c1ncccn1)NC(=O)c1n[nH]c2c1CCCCC2	MCULE-2523325069,EMOLS-id_320157121	285.344	IVOAKKCSTCSQRS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027114
CCC1N(CCCn2ccnc12)C(=O)c1cnc(C)cn1	MCULE-2509491599,EMOLS-id_55717332	285.344	KAXBUWREQVYKJO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027115
CCc1ncncc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319687653	285.344	VCGPUZZBJSKSPM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027116
C[C@@H](c1nccnc1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_319055739	285.344	KYTQCVNOIABCMA-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-027117
C[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCCCC2	PC-id_95130586,ZINC22_65418888	285.344	LPETYUPSCINJMV-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027118
C[C@H](NC(=O)c1ccccn1)c1nnc2n1CCCCC2	ZINC22_65418884,PC-id_95130585	285.344	LPETYUPSCINJMV-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-027119
C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCCCC2	ZINC22_29902068	285.344	QQCHOAZGBAZWNV-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027120
C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCCCC2	ZINC22_29902071	285.344	QQCHOAZGBAZWNV-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-027121
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CNc1ccc(cn1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101676590	285.344	BYIGTGKXZZOUNJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027126
CNc1ccc(cn1)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_318854418	285.344	VHRBREWMSKRHFA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027127
CNc1ccc(nc1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319945665,MCULE-2414735301	285.344	VGFLSFGXKFTHMJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027128
CNc1ncccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318784372	285.344	DBBJEHFCPQBOEK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027129
CN(C(=O)c1cnc2n1CCCCC2)Cc1ncccn1	EMOLS-id_319181763	285.344	CRVWMUNZEXNWHL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027130
CN(C(=O)c1n[nH]c2c1CCCCC2)Cc1ncccn1	EMOLS-id_319640193	285.344	VILGZMJVLAOVRB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027131
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n12CCNCCc1nnc2CNC(=O)Cc1ccccc1	PC-id_118759861,ZINC22_299782583,EMOLS-id_68913060,MCULE-7056693144	285.344	VFSPOLFABHKDLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027133
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Nc1ccc(cc1)C(=O)NCc1nnc2n1CCCCC2	PC-id_120295717	285.344	ZPBGUWHKVGVQPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027136
Nc1cccc(n1)CNC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319926318,MCULE-6601427494	285.344	WHPBMGNYCKCBIU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027137
N#Cc1ccc(o1)CNC(c1nnc2n1CCCCC2)C	PC-id_115651981	285.344	JIMFXJGLESQDSY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-027138
O(C1N(N(C=Nc2ncn(c12)Cc1ccccc1)C)C)C	PC-id_11449009	285.344	AICZOERFCFCJFW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-027139
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O=C(c1ccccc1N)NCc1nnc2n1CCCCC2	MCULE-7214219424,PC-id_119946228,EMOLS-id_301322643	285.344	AOAWZXAFLZCPGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027142
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O=C(c1n[nH]c2c1CCCCC2)N1CC(C1)c1[nH]ccn1	EMOLS-id_319172982	285.344	OUZFLNHEIVFMHD-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-027148
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O=C(c1n[nH]c(c1)C1CC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101669329	285.344	MHAHQXGOGJYNPW-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027151
O=C(Cc1ccncc1)NCc1nnc2n1CCCCC2	EMOLS-id_99098764	285.344	PDVNNGKQPZQWIJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027152
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(n1)C	EMOLS-id_101845897	285.344	OTTZMDJGFCHMTF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027153
O=C(N1CCCc2c(C1)cnn2C)Nc1ccnc(c1)C	EMOLS-id_101950407	285.344	LSTMFVPSORZIOW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027154
O=C(N1CCCn2c(C1)cc(n2)N)NCc1ccccc1	EMOLS-id_318840219	285.344	SRQHDTWOUUSJIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027155
O=C(NCc1nnc2n1CCCCC2)Nc1ccccc1	MCULE-1709312433,ZINC22_57159202,EMOLS-id_34844941,PC-id_51185983	285.344	PNNVKCKBAYUVKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027156
NC(=NCc1nnc2n1CCCCC2)Nc1ccccn1	PC-id_119117489	285.348	RKDPOBCBYRWEGF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027157
CCOC(=O)N1CCc2c(CC1)c(c(s2)CO)OC	SCHEMBL3008995,PC-id_59302564	285.359	CUAFXIGBZBXUJT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027158
COCC1(CC1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_101316028	285.359	MXIAVFPNGIZIQS-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-027159
C1NCc2c(C(C1)Oc1cccc3c1scc3)cco2	SCHEMBL10078515,PC-id_68028511	285.361	HYIOUNOLQLPNPZ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-027160
CC1=CC=c2c(=CC1)c(c[nH]2)S(=O)(=O)c1ccccc1	PC-id_117731940,SCHEMBL16283111	285.361	ITQVLKTUWBHJNZ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-027161
s1c2CCCC(=O)N(c2cc1)CC(=O)c1ccccc1	PC-id_63748107	285.361	MHTIZGXTSDNSBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027162
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(S(=O)(=O)C)C	EMOLS-id_319489176	285.363	PNQAQLRNDRMIDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027163
C=CCOC[C@@H]1CN(S(=O)(=O)C)Cc2ccnn2C1	PC-id_97463471,ZINC22_96189054	285.363	OREPGRKSMHCHII-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027164
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C[C@H](c1nn2c(c1)CN(CCC2)S(=O)(=O)C1CC1)O	PC-id_99973171	285.363	BCACCQIGMLCPBK-SECBINFHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-027166
C[C@@H](c1nn2c(c1)CN(CCC2)S(=O)(=O)C1CC1)O	PC-id_99973173	285.363	BCACCQIGMLCPBK-VIFPVBQESA-N	00100000100000000101000000000010000000000000000000000000	31-01-027167
CCNC(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317417054,MCULE-1867100437	285.363	UBSPSMXFDFSDBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027168
CC(O)c1cc2CN(CCCn2n1)S(=O)(=O)C1CC1	MCULE-4524815543,EMOLS-id_55622754,PC-id_91767096	285.363	BCACCQIGMLCPBK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-027169
CCS(=O)(=O)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319576205	285.363	YLVOLXZIGSMAJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027170
CN(C)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317418334,MCULE-2699737879	285.363	FUCPZKIAMPQJJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027171
COc1nn(C)c2c1CCCN(S(=O)(=O)C1CC1)C2	PC-id_97515482,ZINC22_96254431,EMOLS-id_44366580	285.363	AEGHGPMWEJSHMQ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-027172
COC[C@@H]1CN(S(=O)(=O)C2CC2)Cc2nccn2C1	PC-id_97381761,ZINC22_96059108	285.363	RJHJCESXHGNLFQ-JTQLQIEISA-N	00100000100000000101000000000010000000000000000000000000	31-01-027174
COC[C@H]1CN(S(=O)(=O)C2CC2)Cc2nccn2C1	ZINC22_96059107,PC-id_97381760	285.363	RJHJCESXHGNLFQ-SNVBAGLBSA-N	00100000100000000101000000000010000000000000000000000000	31-01-027175
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c1ccc2c(c1)sc(n2)CN1CCc2n(CC1)cnn2	CoCoCo_1350223,CoCoCo_1350222	285.367	OOBCQUKEKHIXDG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-027189
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OC1c2c(CCCC1)cn(c2)CCCOc1ccccc1	PC-id_83211529	285.381	LSWZUWACSCMWRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027206
O(C(=O)c1c2-c(c(CCCCCCN)c1)ccccc2)C	PC-id_10379204	285.381	QMFXHGXBNDUSSK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027207
O(C(=O)c1c2-c(c(CCCN)c1)ccc(C(C)C)cc2)C	PC-id_11778694	285.381	MMCZPRDWFOZFRF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027208
O(C(=O)c1c2-c(c(CCCN)c1)cccc(C(C)C)c2)C	PC-id_11778695	285.381	OVJHGDZAXOFLRF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027209
OC(=O)c1c(CCC(N)C)cc2-c1ccc(C(C)C)cc2	PC-id_19914774	285.381	YLAFLFXXRDJICW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027210
[O-][N+](=O)c1cc2-c(c(cc2C(C)(C)C)C(C)(C)C)ccc1	PC-id_86114128	285.381	SYYCZGXIMPDNEO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027211
O=C(C1CCS1(=O)=O)N1CCCc2c(C1)ccs2	MCULE-1144050366,EMOLS-id_320015730	285.382	CXPVMECJUQNTPE-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-027212
c12CN(CCCc3ccccc3)CCCn1nc(CO)c2	EMOLS-id_50547563,MCULE-7510922328,PC-id_90653246,ZINC22_221378236	285.384	YECWQTQZEJEECL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027213
c1(CN(C)CC=Cc2ccco2)c2CCCCCc2[nH]n1	PC-id_72074037,MCULE-5562348564	285.384	RQGSTTLHCOTHDK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-027214
CC1CN(CC(c2ccc(cc2)C)O)Cc2c(C1)[nH]nc2	EMOLS-id_319252859	285.384	VTEDZJWCXQSSFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027215
CC1CN(CC[C@@H](c2ccccc2)O)Cc2c(C1)[nH]nc2	EMOLS-id_319755123	285.384	NPPVOXJATNFTQC-RUINGEJQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027216
CC1CN(CC[C@H](c2ccccc2)O)Cc2c(C1)[nH]nc2	EMOLS-id_320025789,MCULE-3230555882	285.384	NPPVOXJATNFTQC-LRHAYUFXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027217
CC1CN(CCOCc2ccccc2)Cc2c(C1)[nH]nc2	MCULE-7865852979,EMOLS-id_319999047	285.384	UVZKFKGHGWAWGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027218
CC(C)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_248005552	285.384	PKADCLNMPYTTFH-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027219
CC(C)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_248005556	285.384	PKADCLNMPYTTFH-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027220
CC(C)N1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_50011610	285.384	PKADCLNMPYTTFH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027221
CC(N1CCCCC1Cn1c(=O)nc2-c1ccccc2)C	MCULE-8769789745,EMOLS-id_319939690	285.384	SDBSQUDWFWYIIX-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-027222
CCO[C@H]1CN(Cc2cccc(C)n2)Cc2cccn2C1	ZINC22_247860699	285.384	FVDQRKRDEYPXFH-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027223
CCO[C@@H]1CN(Cc2cccc(C)n2)Cc2cccn2C1	ZINC22_247860703	285.384	FVDQRKRDEYPXFH-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027224
CN1CCN(CC1)C(=O)c1c[nH]c2c1C=CCC(C=C2)C	PC-id_145587848	285.384	KWUHBOGNGXWUBH-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-027225
CN(C/C=C/c1ccco1)Cc1n[nH]c2c1CCCCC2	EMOLS-id_44853517,PC-id_50967236,ZINC22_67678313	285.384	RQGSTTLHCOTHDK-FNORWQNLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-027226
COc1ccc(cc1C)CN1CC(C)Cc2c(C1)cn[nH]2	MCULE-9595979204,EMOLS-id_319915649	285.384	XLFAGQVRSJMKSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027227
COc1ccc(cc1CN1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319499516	285.384	JMWBWOYXBZEHAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027228
COc1ccc(CCc2nnc3n2CCCCCC3)cc1	ZINC22_630950414,EMOLS-id_320401254,PC-id_139021515,MCULE-5578676261	285.384	BMDDQWJRCBFALW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027229
COC(c1ccccc1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318793981	285.384	BJNVZLRMRHQYME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027230
COCCC1CN(Cc2cccnc2)Cc2cccn2C1	EMOLS-id_313839401	285.384	AUODDEAGEXHJBP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027231
COCC[C@H]1CN(Cc2cccnc2)Cc2cccn2C1	ZINC22_585094635	285.384	AUODDEAGEXHJBP-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027232
COCC[C@@H]1CN(Cc2cccnc2)Cc2cccn2C1	ZINC22_585094636	285.384	AUODDEAGEXHJBP-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027233
n1c(CNC(=O)[C@H]2C[C@H]3C[C@@H]2C=C3)c2c(CCCCC2)[nH]1	EMOLS-id_177473432,ZINC22_584899163,MCULE-5348844135	285.384	PHAXWSRIOBVQCZ-DYEKYZERSA-N	00000011100000000101000000000110000000000000000000000000	31-01-027234
NC1CCCCc2c1cnn2CCCOc1ccccc1	PC-id_107384460	285.384	JRDBDWJLCCVUHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027235
O=C1c2c(CCCC1)cn(c2)Cc1nn(C(CC)C)cc1	PC-id_83205582	285.384	HERQFSJXTHZZNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027236
O=C1c2c(CCCC1)cn(Cc1n(nc(c1)CC)CC)c2	PC-id_83206849	285.384	ALANDMXZDVWIMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027237
Oc1cc(C(c2n3CCCCCCc3nn2)(C)C)ccc1	SCHEMBL4540367,PC-id_10039588	285.384	JTDDHFKDXZHLDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027238
O(c1cc(nc(c1)C)Cn1cc2C(N)CCCCc2c1)C	PC-id_83209445	285.384	PSVPIBOCGZQFPB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027239
O(c1ncccc1Cn1cc2C(NC)CCCCc2c1)C	PC-id_83209469	285.384	SWOUVOKXCVARFT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027240
O(c1nc(Cn2cc3C(NC)CCCCc3c2)ccc1)C	PC-id_83210413	285.384	MYGIPPCLUYPBOF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027241
O=c1n(CCn2cc3C(NC)CCCCc3c2)cccc1	PC-id_83211534	285.384	YDLYMGVWMPZGPS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027242
O[C@@H](Cc1ccccc1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319518291	285.384	SRSJPYMIJWXTHF-VYIIXAMBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027243
O[C@H](Cc1ccccc1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320303111	285.384	SRSJPYMIJWXTHF-FQNRMIAFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027244
CCCSc1nc2c(s1)C(=O)N(CC(=O)N2C)C	PC-id_142739045	285.386	OFYUBGZNBWTYIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027245
c1(CN(C)c2ncnc(C)c2C)c2CCCCCc2[nH]n1	PC-id_72873624,EMOLS-id_46050979,MCULE-8604517153,ZINC22_91574647	285.387	SOHMOZPRZHLASK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027246
c1(CN(C)Cc2cccnc2N)c2CCCCCc2[nH]n1	MCULE-8223378363,ZINC22_216526434,PC-id_77098197,EMOLS-id_49900521	285.387	UBXOOKIPJJCABY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027247
Cc1ccc(cc1)C(CNC1CCn2c(CC1)nnn2)C	MCULE-9508880827,EMOLS-id_318171299	285.387	JHKRAVGKWJWYOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027248
Cc1cc(C)c(c(c1)C)CNC1CCn2c(CC1)nnn2	EMOLS-id_102024406,MCULE-2926801647	285.387	VWCQWSQCBWHWGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027249
Cc1cc(C)c(cc1CNC1CCn2c(CC1)nnn2)C	MCULE-6098750423,EMOLS-id_102024403	285.387	WEYVYPHWGNZSRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027250
Cc1cccc(CN2CCc3nnc(C(C)C)n3CC2)n1	EMOLS-id_24860933,PC-id_31073620,CoCoCo_1443782,MCULE-4507449308,CoCoCo_1443783,ZINC22_23398112	285.387	QPSVYEFJROQAIT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027251
Cc1ccc(cn1)CNC(c1nnc2n1CCCCC2)C	PC-id_104748157	285.387	OFGXYVAHEJZFAX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027252
CC1CN(Cc2cc3n(n2)CCCC3)Cc2c(C1)[nH]nc2	EMOLS-id_319089189	285.387	GNXZABIICOYUKC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027253
Cc1cncc(c1)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318307423,MCULE-8538983234	285.387	PIJVOHHEJWXELM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027254
Cc1cnccc1CN(C)Cc1cc2n(n1)CCCNC2	EMOLS-id_43108135,ZINC22_72150620,MCULE-1856669682,PC-id_56894466	285.387	SDHQNYCXOUSYRX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027255
Cc1nc(=NCc2n[nH]c3c2CCCCC3)[nH]c(C)c1C	MCULE-9828182539,EMOLS-id_337722622,ZINC22_2356133977	285.387	QOSWMNJKBIGCDG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027256
CC(c1ccccc1)C(NC1CCn2c(CC1)nnn2)C	EMOLS-id_318229097,MCULE-3004305987	285.387	IQFABENSNMPRJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027257
CC(c1ccccc1CNC1CCn2c(CC1)nnn2)C	EMOLS-id_318823944,MCULE-9185902652	285.387	IRHHJXCABCCGAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027258
CC(c1ccc(cc1)CNC1CCn2c(CC1)nnn2)C	MCULE-8040895840,EMOLS-id_318196379	285.387	CCTKZFCCOJARCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027259
CC(c1cccc(c1)CNC1CCn2c(CC1)nnn2)C	MCULE-9040390012,EMOLS-id_318038700	285.387	XSRHVMDSONFXQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027260
CC(c1ccncc1C)NCc1nnc2n1CCCCC2	EMOLS-id_318464846,MCULE-2532626652	285.387	NZFRDVIZYGMDLH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027261
CCc1cc(NCc2cnc3n2CCCCC3)nc(n1)C	EMOLS-id_318499221,MCULE-2911972553	285.387	HZRLZBIOCDRLEI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027262
CC(c1cnccc1C)NCc1nnc2n1CCCCC2	EMOLS-id_317979314,MCULE-3884259864	285.387	USBGJJQCAKXZQC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027263
CC(c1ncccc1C)NCc1nnc2n1CCCCC2	MCULE-1393965996,EMOLS-id_318404850	285.387	PRUMAGNAIWSREM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027264
CC(c1ncc(cn1)NCc1cnc2n1CCCCC2)C	EMOLS-id_318719028,MCULE-5994375925	285.387	CDQDUWHYCWQQMK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027265
CC(c1ncnc(c1)NCc1cnc2n1CCCCC2)C	MCULE-4169570928,EMOLS-id_318628165	285.387	WUMSRHSGRUINSZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027266
CC(Cc1ccccc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_318195935,MCULE-7167095344	285.387	BWCPTGIMRRTIMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027267
CC(Cc1ccccn1)NCc1nnc2n1CCCCC2	EMOLS-id_320270282,MCULE-3585422537	285.387	RUNQDLHSSOPFQP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027268
CC(N1CCc2n(CC1)c(cn2)CNc1ccccn1)C	PC-id_97467262	285.387	WKNXDXBJIXSKAN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027269
CN(c1cccc(n1)NCc1cnc2n1CCCCC2)C	EMOLS-id_318475852,MCULE-1240867401	285.387	BFRCRGOFNSYCAG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027270
CN(c1cccnc1NCc1cnc2n1CCCCC2)C	EMOLS-id_318732271,MCULE-9724769881	285.387	YAEVYLBVTOLXRQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027271
CN(c1ccnc(c1)NCc1cnc2n1CCCCC2)C	MCULE-8092415105,EMOLS-id_318763459	285.387	FOBFJHQBVTZXGN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027272
CN(c1cncc(c1)NCc1cnc2n1CCCCC2)C	EMOLS-id_318396375,MCULE-1467445478	285.387	JETKHHYZXKYCOA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027273
CN(CCc1ccccn1)Cc1nnc2n1CCCCC2	MCULE-5278487100,ZINC22_225531751,PC-id_100668564,EMOLS-id_53771880	285.387	PWLZUIGTGIAIEV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027274
CN(C)CC1CN(Cc2ccccn2)Cc2nccn2C1	EMOLS-id_46148529	285.387	QBHKKWHHZXHFOS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027275
CN(C)CC1CN(Cc2cccnc2)Cc2nccn2C1	EMOLS-id_46148531	285.387	ANFOWCMZAZIUCK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027276
CN(C)CC1CN(Cc2ccncc2)Cc2nccn2C1	EMOLS-id_46183559	285.387	HHSHNBXVDBNCKT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027277
CN(C)C[C@H]1CN(Cc2ccccn2)Cc2nccn2C1	PC-id_97381832,ZINC22_96059179	285.387	QBHKKWHHZXHFOS-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027278
CN(C)C[C@@H]1CN(Cc2ccccn2)Cc2nccn2C1	ZINC22_96059180,PC-id_97381833	285.387	QBHKKWHHZXHFOS-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027279
CN(C)C[C@H]1CN(Cc2cccnc2)Cc2nccn2C1	PC-id_97381834,ZINC22_96059181	285.387	ANFOWCMZAZIUCK-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027280
CN(C)C[C@@H]1CN(Cc2cccnc2)Cc2nccn2C1	ZINC22_96059182,PC-id_97381835	285.387	ANFOWCMZAZIUCK-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027281
CN(C)C[C@H]1CN(Cc2ccncc2)Cc2nccn2C1	ZINC22_96086772,PC-id_97406086	285.387	HHSHNBXVDBNCKT-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027282
s1c2CCCCCc2cc1C(=O)Nc1c(cccc1)C	PC-id_9039294	285.404	FMUNIBGBYNKUFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027306
CN(C)C[C@@H]1CN(Cc2ccncc2)Cc2nccn2C1	ZINC22_96086773,PC-id_97406087	285.387	HHSHNBXVDBNCKT-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027283
n12CCCCCc1nnc2C(NC(c1cccnc1)C)C	PC-id_43746954	285.387	GJZPIBQQBWXZSB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027284
n12CCCCCc1nnc2C(NCc1c(ccnc1)C)C	PC-id_81746134	285.387	RCXUXAGJULKSPC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027285
n12CCCCCc1nnc2C(NC(c1ccncc1)C)C	PC-id_43746953	285.387	ZYBHWHIKNORKAL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027286
n12CCCCCc1nnc2C(NCc1c(N)cccc1)C	PC-id_66417079	285.387	RVVMEJAANFKCMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027287
n12CCCCCc1nnc2C(NC(c1ncccc1)C)C	PC-id_43746937	285.387	OKTCDLLJKHFORZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027288
n12CCCCCc1nnc2C(NCc1ncc(cc1)C)C	PC-id_80710661	285.387	PWTVKGFLSVQWPQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027289
NC1CCCCc2c1cn(c2)Cc1nnc2n1CCCC2	PC-id_107078538	285.387	HIGSNDBNGPZIRY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027290
CCCS(=O)(=O)CCn1cc2c(c1)CCCCC2O	PC-id_106717222	285.402	HZEMCMPZMGBCIB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027291
CC(OCC(Cn1c(=O)sc2c1CCCCC2)O)C	PC-id_109927749	285.402	YIERSMPWUWPYHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027292
OC1CCCCc2c1cn(c2)CCS(=O)(=O)C(C)C	PC-id_106717220	285.402	OSVALJJGUNTVCS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027293
S(=O)(=O)(CCCn1cc2c(CCCCC2O)c1)CC	PC-id_83208708	285.402	QDBWLNHEPDXSAZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027294
c1(C(=O)NCc2ccccc2)csc2CCCCCc12	MCULE-9889993395,PC-id_9550698,EMOLS-id_11330320	285.404	ABSNYKFFXSGOPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027295
Cc1ccc(cc1)C(=O)c1c(N)sc2CCCCCc12	MCULE-6800917329,EMOLS-id_6579865,ZINC22_413888,PC-id_858210,ASN-05338785,SCHEMBL135846	285.404	WBPZOTMZNUAFSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027296
Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1	PC-id_16372295,ZINC22_12577491,MCULE-3521509774,EMOLS-id_3703950,CoCoCo_3258336	285.404	ZUIASTINMXRGJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027297
O=C(c1cc2c(s1)CCCCC2)NCc1ccccc1	EMOLS-id_107076005,PC-id_7678119	285.404	FUXFDMJMKQWSTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027298
s1c2CCCCCc2cc1C(=O)c1c(cc(N)cc1)C	PC-id_64192930	285.404	AORKTICJLBNSMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027299
s1c2CCCCCc2cc1C(=O)c1cc(c(N)cc1)C	PC-id_64194411	285.404	OAYPGNPVEQWCEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027300
s1c2CCCCCc2cc1C(=O)C(c1ccncc1)C	PC-id_66471241	285.404	ALGCPHDGOGHWQC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027301
s1c2CCCCCc2cc1C(=O)Cc1ncccc1C	PC-id_66446654	285.404	SZRVQUZTAFXQLC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027302
s1c2CCCCCc2cc1C(=O)Cc1ncc(cc1)C	PC-id_66448072	285.404	APJMTAKKMISMDN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027303
s1c2CCCCCc2cc1C(=O)C(c1ncccc1)C	PC-id_66448745	285.404	IDWGOFXWYOPUAA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027304
s1c2CCCCCc2cc1C(=O)Nc1cc(ccc1)C	PC-id_18207693	285.404	ABXDOOBAJDEQFO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027305
S(CCn1cc2CCCCC(=O)c2c1)c1ccccc1	PC-id_83207008	285.404	PMJYZUQQQWZDJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027309
CC1CN(CCS(=O)(=O)C(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319013134	285.406	WRWDMURPHDGLBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027310
CC(c1n[nH]c2c1CN(CCC2)S(=O)(=O)C(C)C)C	PC-id_118684213,SCHEMBL17465958	285.406	VMZKKVWDSBFAGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027311
CCc1n[nH]c2c1CN(CCC2)S(=O)(=O)C(C)(C)C	PC-id_134224716,SCHEMBL19831876	285.406	WRFOWMZIDPWHLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027312
CC(C)[C@@H](C)S(=O)(=O)Cc1nnc2n1CCCCC2	ZINC22_683921715	285.406	DQJSOWRPORPQCH-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027313
CC(C)[C@H](C)S(=O)(=O)Cc1nnc2n1CCCCC2	ZINC22_683921716	285.406	DQJSOWRPORPQCH-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-027314
CC(CCS(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101948448	285.406	UPTIAONJBMEWBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027315
CCC(CS(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101948517	285.406	ZYUGIOMNLXHINI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027316
CCC(CS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_318792854	285.406	UFJCKZQLPXHMSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027317
CC(C(S(=O)(=O)Cc1nnc2n1CCCCC2)C)C	PC-id_146128925	285.406	DQJSOWRPORPQCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027318
CC(CS(=O)(=O)C)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318774254	285.406	ZDXVMCRYHAGWMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027319
CCn1nc(c2c1CCCN(C2)S(=O)(=O)C)C(C)C	SCHEMBL17229744,PC-id_118489270	285.406	NEHRPCVGEUALJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027320
CCNC1CCCCc2c1cnn2CCS(=O)(=O)C	PC-id_107384503	285.406	QXSUNGYCWXJUJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027321
Cn1ncc2c1CCCN(C2)S(=O)(=O)CC(C)(C)C	EMOLS-id_101948508	285.406	PPPGZHLIDAQHEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027322
CNC1CCCCc2c1cnn2CCS(=O)(=O)CC	PC-id_107384506	285.406	OWOGHGJVZSJIFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027323
S(c1n2CCCCCc2nn1)CC(OCC)OCC	PC-id_63628249	285.406	OXJHHPCGNLNSQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027324
S(c1n2CCCCCc2nn1)CC(O)COC(C)C	PC-id_60670812	285.406	YVVGUVUNQAUKGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027325
c1ccc(cc1)/C=CCSc1nnc2n1CCCCC2	CoCoCo_3082048	285.407	YYFFNDKSZICRLT-YFHOEESVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027326
c1ccc(cc1)C=CCSc1nnc2n1CCCCC2	EMOLS-id_29945643,PC-id_72092344,MCULE-2449108284	285.407	YYFFNDKSZICRLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027327
C1CN(CCc2c1nc(s2)N)CC=Cc1ccccc1	PC-id_88124534	285.407	PHWNJRQCFLLUMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027328
Cc1ccc(cc1N)C=Cc1nc2c(s1)CCCCN2	PC-id_140361277	285.407	KZNCCBHQLGIBGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027329
C(=Cc1ccccc1)/CSc1nnc2n1CCCCC2	ZINC22_40159044,PC-id_45838189,CoCoCo_3082047	285.407	YYFFNDKSZICRLT-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027330
Nc1nc2c(s1)CC(NCC2)CC=Cc1ccccc1	PC-id_139769138	285.407	YFKYSQYESBSPLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027331
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1	SCHEMBL7285804,PC-id_19985877	285.407	PHWNJRQCFLLUMN-QPJJXVBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027332
Nc1nc2c(s1)CCN(CC2)C/C=Cc1ccccc1	SCHEMBL7294700	285.407	PHWNJRQCFLLUMN-DAXSKMNVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027333
Nc1sc2c(n1)CC(CNC2)C/C=C/c1ccccc1	PC-id_19985777,SCHEMBL7292508	285.407	MDTYGBZXEFMUMF-QPJJXVBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027334
s1c2CCCCCc2cc1/C(=N/c1ccccc1)/NN	PC-id_61360736	285.407	AWFQBGMOICSNBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027335
s1c2c(nc1N)CC(CNC2)CC=Cc1ccccc1	PC-id_54067134	285.407	MDTYGBZXEFMUMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027336
s1c2NCCCCc2nc1/C=C/c1cc(N)c(cc1)C	PC-id_15069572	285.407	KQNAWWQAFVLFBZ-BQYQJAHWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027337
s1c2NCCCCc2nc1C=Cc1cc(N)c(cc1)C	PC-id_57289829	285.407	KQNAWWQAFVLFBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027338
CCOC(=O)N1CCc2c(CC1)cc(s2)SCC	PC-id_58256117,SCHEMBL1182686	285.425	QFQDGVVPLZYBRM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027339
n1(CC2(CC2)CC#N)cc2c(c1)CCCCC2NCCC	PC-id_83209287	285.427	KDNXBWLCNLCTLP-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-027340
c1ccc(CCCNC2CCc3ccsc3CC2)cc1	CHEMBL4634358	285.447	RNWBMEUYJXOGEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027341
Cc1cccc(c1C)C(c1cc2c(s1)CCCCC2)N	PC-id_115850558	285.447	APWVVKLQEPLQCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027342
Cc1cc(C)cc(c1)C(c1cc2c(s1)CCCCC2)N	PC-id_115797432	285.447	ZTTXBZTWQXVFQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027343
CCc1cccc(c1)C(c1cc2c(s1)CCCCC2)N	PC-id_105018884	285.447	ZBCYWWASRHRQRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027344
CNC(c1cccc(c1)C)c1cc2c(s1)CCCCC2	PC-id_115790265	285.447	FQAXBTLCITYFQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027345
CNC(c1ccccc1C)c1cc2c(s1)CCCCC2	PC-id_115795029	285.447	KYNBUIRYGNDUGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027346
CN(CCc1ccccc1)C1CCc2ccsc2CC1	CHEMBL4632628	285.447	OAKACACJLAKSFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027347
NC(c1cc2c(s1)CCCCC2)CCc1ccccc1	PC-id_115794423	285.447	HPXLFCWLYKLCSX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027348
s1c2c(CCCCC2)cc1C(N)c1ccc(cc1)CC	PC-id_43464185	285.447	CNOLAWOXFZYORX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027349
s1c2c(CCCCC2)cc1C(N)c1c(cc(cc1)C)C	PC-id_43464403	285.447	ZJGSDQCLFIVFKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027350
s1c2c(CCCCC2)cc1C(N)c1c(ccc(c1)C)C	PC-id_43464415	285.447	GROHBOAWPZSOIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027351
s1c2c(CCCCC2)cc1C(N)c1cc(c(cc1)C)C	PC-id_43464611	285.447	JZBMQVLWSDUQEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027352
s1c2c(CCCCC2)cc1C(NC)c1ccc(cc1)C	PC-id_43481727	285.447	CDAKGUUMRYGLPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027353
s1c2c(CCCCC2)cc1C(N)Cc1cc(ccc1)C	PC-id_63527258	285.447	IVNKIWIKYAWDQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027354
s1c2c(CCCCC2)cc1C(N)Cc1c(cccc1)C	PC-id_63527884	285.447	IGVOYZVRIWBXIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027355
s1c2c(CCCCC2)cc1C(N)Cc1ccc(cc1)C	PC-id_63528406	285.447	WMWKPTQOYACOBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027356
s1c2c(CCCCC2)cc1C(NCC)c1ccccc1	PC-id_43489054	285.447	DJVSYZMQNNXTHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027357
s1c2c(CCCCC2)cc1C(NC)Cc1ccccc1	PC-id_63528290	285.447	CQAPPUBTTNOMGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027358
CC1CCC(C)SCc2c(CS1)n(nn2)C(C)C	SCHEMBL19841572,PC-id_134233193	285.472	YOKYXTFRXUYCBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027359
CCCC(CSc1nnc2n1CCCCC2)CS	EMOLS-id_314992650,PC-id_80039909	285.472	QHZSPRFTZBSUIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027360
S(c1n2CCCCCc2nn1)CCCCCCS	EMOLS-id_315445828,PC-id_80041309	285.472	GRLFQOCRECXZBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027361
S(CC(C(C)C)CS)c1n2CCCCCc2nn1	EMOLS-id_315446340,PC-id_80039676	285.472	INOYNBMQMMXBHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027362
SCCC(CCSc1nnc2n1CCCCC2)C	EMOLS-id_314616825,PC-id_80040721	285.472	RHBFKTZDMNINIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027363
ClCCCN1CCCn2c(C1=O)cc(n2)C(=O)OC	SCHEMBL8690015,PC-id_67662739	285.727	SMWPDFFJMIHCAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027364
NC1=CC=c2c(=CC1)c(nn2Cc1ccc(cc1)C)Cl	PC-id_143227872	285.771	PAIZONMUQDSTQF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-027365
ClCCCC(=O)c1c2c(sc1C)CCCNC2=O	SCHEMBL8918044,PC-id_21471973	285.79	DZFHERRSCZALGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027366
CC(CCNC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_113272715,EMOLS-id_315680330	285.833	QPOAADXEPWWQKJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027367
CCC(CNC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_116244774	285.833	VQRQVZBMJXKWGC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027368
CCC(NC(=O)c1cc2c(s1)CCCCC2)CCl	EMOLS-id_315063485,PC-id_114294365	285.833	VJXKOFAZMDQWSZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027369
CC(CN(C(=O)c1cc2c(s1)CCCCC2)C)Cl	PC-id_55188180,EMOLS-id_315254073	285.833	BJGMOTSSLXZBGH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027370
ClCCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_113884207	285.833	KTJUNCBARMEFGB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027371
ClCCC(NC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_314959043,PC-id_83188295	285.833	KUUJZWKDHPIUIE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027372
ClCC(CNC(=O)c1cc2c(s1)CCCCC2)C	PC-id_113272829,EMOLS-id_315684675	285.833	OOYBUZAWBSPGLU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027373
ClCC(NC(=O)c1cc2c(s1)CCCCC2)(C)C	EMOLS-id_315001657,PC-id_113271234	285.833	XZONSRIZKHGUCG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027374
ClCC(N(C(=O)c1cc2c(s1)CCCCC2)C)C	EMOLS-id_315896124,PC-id_104555800	285.833	BNZBGKCNBCZWNJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027375
ClCCN(C(=O)c1cc2c(s1)CCCCC2)CC	PC-id_63395401,EMOLS-id_314238152	285.833	DBGGUNMRXCBMHX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027376
NCc1c(Cl)sc2c1CCCCCCCCCC2	PC-id_113626001	285.876	AVEZALSSMBXMJS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027377
Brc1c2-c(c(Br)c1)ccccc2	PC-id_139802,2205587_OpenMolecule,EMOLS-id_68864232,CT-id_2205587,SCHEMBL3830960,MCULE-9068157882	285.963	OEXLRDNVSRMWHO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027378
C1=CC=CC=C2C(=CC=C1)NC(=N2)C(Cl)(Cl)Cl	PC-id_164049758	285.983	VXLIBNPXBWKJBN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027384
CC1=NC2=C(N1)C=CC(C=C2)(C)I	PC-id_163670973	285.997	JCMHTLYXMKNHEL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027385
Ic1c(=O)c2n[nH]c(c2ccc1)C	PC-id_13812966	286.069	UNEJXDNFLWZRTA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027386
CC(C)(C)OC(=O)N1CC(OC2=C(C1)SC=N2)CO	PC-id_165367489	286.099	ONPSZOXVRWNAJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027387
C1CN(CCN1C(=O)C2=NC3=CC=CC=CC3=N2)C(=O)O	PC-id_154215256	286.107	HULMGQMYFKPKFX-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-027388
CC1C=Cc2c(C=C1)nc(n2I)C	PC-id_143839019	286.112	DWFXZYCHSKWIAZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027389
COC(=O)c1c[nH]c2c1C(=O)C(Br)CCC2	PC-id_142114825	286.122	VMYZDRZOLTUMIT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027390
BrCC(=O)N1CCCn2c(C1)cc(n2)C=O	PC-id_144720729	286.125	SQHZQYIFKZDOIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027391
CC(C1=CC2=C(C=C1)OCO2)N3CCC4=C(CC3)ON=C4	PC-id_154685672	286.132	GEJGYSUHCAZFGA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-027392
C1CCCC2=C(CC1)C(=NN2)CCSC3=CC=CC=C3	PC-id_165345285	286.15	MWPBPKWONZYHMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027393
CCC1=C(SC2=C1CCN(CC2)CC3=CC=CC=C3)N	PC-id_160158627	286.15	PBMLQSUQOADIMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027394
NCCNC(=O)c1cc2c([nH]1)C=C(CC=C2Cl)Cl	PC-id_143285495	286.157	GWLUMROABYKMCI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-027395
BrCC(=O)N1CCCn2c(C1)cc(n2)CC	SCHEMBL16100214,PC-id_90460891	286.168	ZNKPSUASQBGMTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027396
Cn1ncc2c1N(CCCBr)CCCC2=O	SCHEMBL16260502,PC-id_117715188	286.168	PPBQWZRNFIDVTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027397
Brc1sc2CCC(NC(=O)c2c1)CC=C	SCHEMBL8197512,PC-id_54269013	286.188	RIVMMRFJAAIONZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027398
BrCc1nc2c(s1)C=CC(C=C2)(C)OC	PC-id_143249567	286.188	ORMJTVGVGRXEMF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027399
FC(F)(F)c1oc(c2c1CCCCCC2)C(F)(F)F	PC-id_14088383	286.213	WCJSYTLVQWDUIV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027400
O(C(=O)c1c2-c(c(c1[N+]#N)C(=O)OC)ccccc2[O-])C	PC-id_10636923	286.24	VSVZFNIWOIDICF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027401
Fc1cccc(/C=N/NC2=NNC(=N)Cc3ncnn23)c1	TOSLab_7305,PC-id_17037416,EMOLS-id_207352761,TOSLab_4816,ZINC22_3772475	286.268	DMDURWDOGDMEQC-OMCISZLKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-027402
Fc1ccc(/C=N/NC2=NNC(=N)Cc3ncnn23)cc1	TOSLab_4817,EMOLS-id_207352763,ZINC22_3772473,PC-id_17037417,TOSLab_7306	286.268	QOIASOKYWVTUKV-OMCISZLKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-027403
n12ncnc1CC(=N)NN=C2NN=Cc1ccc(cc1)F	PC-id_1493513,MCULE-6030416511	286.268	QOIASOKYWVTUKV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-027404
n12ncnc1CC(=N)NN=C2NN=Cc1cccc(F)c1	MCULE-5223924830,PC-id_1493516	286.268	DMDURWDOGDMEQC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-027405
O(c1c2-c(c(OC(=O)C)c1C(=O)C)ccccc2)C(=O)C	PC-id_11129878	286.279	RMSCQMMMJDPXIS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027406
O(C(=O)c1c2-c(c(c1C(=O)OC)C(=O)C)ccccc2)C	PC-id_12453805	286.279	UGCLBRSNUCPSBF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027407
S1(=O)(=O)C(=Cc2c(scc2)C=C1C(=O)O)C(=O)O	PC-id_86135559	286.281	SCYBDLMXHBCBQR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-027408
COc1ccc(cc1)CN1C(=O)CNC(=O)c2c1cco2	PC-id_135007122	286.283	QNXZUSVCUQTTGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027409
COc1ccc(cc1)CN1C(=O)CNC(=O)c2c1occ2	PC-id_101095160	286.283	XYGXFUZVIOEXMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027410
o1c2CCCCN(c2cc1)C(=O)c1ccc([N+](=O)[O-])cc1	PC-id_85714235	286.283	RQHKEPMIEQIYBT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027411
O=C1CC(C(O1)O)NC(=O)c1ccc2n1C=CC=CC=C2	PC-id_142844001	286.283	JTHZUCBDPLNOBU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027412
C1CN(c2c(C(=O)N1)[nH]cn2)C(=O)OCc1ccccc1	PC-id_134524898,SCHEMBL20169438	286.286	RPQVLGWDKWIZBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027413
COC(c1noc(n1)Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_320218299,MCULE-2357876959	286.286	IAZZSOWEEYDDLX-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-027414
n12CCN(CCc1nnc2)C(=O)c1ccc2c(OCO2)c1	ZINC22_11838649,PC-id_42210152,EMOLS-id_30489300,CoCoCo_1115860,MCULE-1235005785	286.286	BJVKIFADZUMBTE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-027415
O=C1NC(CO)C(=O)Nc2c1ncn2Cc1ccccc1	CHEMBL374469,PC-id_16126716,BindingDB_PC-id_16126716	286.286	LXEWAHUCHFYGPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027416
O(C1NC(=O)c2ncn(c2NC1=O)Cc1ccccc1)C	PC-id_10016829	286.286	JXKYBGDBASUUQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027417
O=C(O)c1ccc(Cn2cnc3c2NC=NCC3O)cc1	PC-id_44284931,CHEMBL1206619	286.286	KBLFNXASTCIZAU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-027418
c12CN(CCCn1nc(C#N)c2)C(=O)[C@H](C)n1cnnn1	EMOLS-id_177485651,MCULE-3372227566,ZINC22_584900748	286.293	LRRDPJRPUIVLCM-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-027419
C1CCC(=O)c2c(C1)[nH]cc2N(C=O)c1ccc(cc1)F	PC-id_88137339,SCHEMBL7398576	286.301	GDPXCAWUMJLHCG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027420
C1CCC(=O)c2c(C1)[nH]cc2N(C=O)c1ccccc1F	PC-id_88137767,SCHEMBL7400994	286.301	VSZNSZRJRCUKAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027421
C1CCC(=O)c2c(C1)[nH]cc2N(C=O)c1cc(ccc1)F	PC-id_88137847,SCHEMBL7401495	286.301	DTABXIRQUWNOJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027422
Fc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL7361057,PC-id_54391051	286.301	VGQWVRUTLWYVDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027423
Fc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL7364197,PC-id_57193973	286.301	XKIKAQMXQDSBFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027424
Fc1c(NC(=O)c2c3c([nH]c2)CCCCC3=O)cccc1	PC-id_54053480,SCHEMBL7359535	286.301	LUOSTKNZGHERTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027425
O=C(OC1COc2c(OC1)csc2)CCCC(=O)O	SCHEMBL16542321,PC-id_117931069	286.301	VODVNSAZGKLFDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027426
O1CCOCCOCc2[n-]c(nn2)COCCOCC1	PC-id_21796199	286.304	DIFDJPARONKBFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027427
S1(=O)(=O)CCCCn2c1nc(c2)C(=O)CC(=O)OC	PC-id_82667633	286.304	ITSQQMKQKVDMQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027428
S1(=O)(=O)CCCCn2nc(cc12)C(=O)CC(=O)OC	PC-id_82667634	286.304	XYRLMPVBJXEHNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027429
P(=O)(OCC)(OCC)CN1CCCn2c(C1)ccc2	PC-id_3701738	286.307	NJYPGLNJJNCGOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027430
N#Cc1cnc(c(c1)F)NCc1nnc2n1CCCCC2	EMOLS-id_318409888,MCULE-3202729171	286.308	ZIQUCYKIGREIED-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027431
CC1(C)Cc2n[nH]cc2CN(CC(=O)NCC(F)F)C1	ZINC22_952894186,EMOLS-id_316181086,MCULE-5371994978	286.321	XDSRBTDPDOTURH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027432
CC(C)c1nnc2CCCCC(C(=O)NCC(F)F)n12	MCULE-9420344389,EMOLS-id_96055388	286.321	HHNWZIYJLFRPGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027433
CCCN(C(=O)C1CCn2c(CC1)nnc2)CC(F)F	EMOLS-id_320197631,MCULE-9058395130	286.321	REOSBYQHVAOQSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027434
o1c2COCCOCCOCCOCCOCc1cc2	PC-id_12220436,SCHEMBL14264223	286.321	UTHYKDXCUDXXSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027435
CCOC(=O)c1c2-c(c(c1O)C=O)cccc(c2)C(C)C	PC-id_101915785	286.322	RSOBUEIASLTXGJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027436
CCOC(=O)c1c2-c(c(c1O)C=O)cc(ccc2)C(C)C	PC-id_101915786	286.322	ZIVNVRWTTZMQNQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027437
CCOC(=O)c1cc(c2-c1ccccc2OCC)C(=O)C	PC-id_102528690	286.322	ZLULDOHSVMDTKE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027438
CCOC(=O)C(c1ccc2-c(cc1)ccc2)C(=O)OCC	PC-id_122403809	286.322	MPNZMPTUUYRFBO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027439
COC(=O)c1cc2-c(c1C(=O)OC)c(C)cc(cc2C)C	SCHEMBL6287086,PC-id_11748140	286.322	OXCORSCVCGZVJL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027440
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C(=O)OC	PC-id_101157104	286.322	ORUDUBFYSVRFJS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027441
COC(=O)c1ccccc2-c1cc(c2)C(=O)OC(C)(C)C	PC-id_139978690	286.322	FGAUZVPLRYHHGC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027442
O(C(=O)c1c2-c(c(c1C)C(=O)OCC)ccccc2)CC	PC-id_10731934	286.322	SRNUAHPBTSHGEN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027443
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccccc2C)CC	PC-id_10613202	286.322	IWYXNNWHRLLNMW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027444
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(cc2)C)CC	PC-id_10827064	286.322	HPKSOXVVARCJBS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027445
O(C(=O)c1c2-c(c(c1C(=O)OC)C)ccc(cc2C)C)C	PC-id_15652211	286.322	WHNNNUPVPXLGEE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027446
O(C(=O)c1c2-c(cc(C(C)C)ccc2)cc1C(=O)OC)C	PC-id_85657431	286.322	DSRMSTKQNOMAFI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027447
COc1ccc(ccc1=O)C#Cc1ccc2-c(cc1)ccc2	PC-id_102327171	286.324	WKKMRFXPVQSVKY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027448
COC(=O)c1cc(c2-c1ccccc2)C#Cc1ccccc1	PC-id_101134862	286.324	FADZPSRTQCSBNB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-027449
o1c(C(=O)c2c3-c(c(c2)C)ccccc3)cc2c1cccc2	PC-id_11055263	286.324	HRWLZVQOMHUQHQ-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-027450
c1(C(=O)c2ccc(cc2)OC)n(O)c2c(CCCCC2)n1	ZINC22_210508,EMOLS-id_2154063,CHEMBL1525889,PC-id_755657,ChEMBL-DNDi_CHEMBL5794-0828,CoCoCo_783733,MCULE-2042070256	286.326	PHQLIQXVYQWUAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027451
CN(C(=O)c1noc2c1CCCCC2)Cc1ncccn1	EMOLS-id_319840068	286.329	QRBNDPPMQXKUJB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027515
c1(C(=O)Nc2ccccc2OC)c2CCCCCc2on1	STOCK6S-89560,PC-id_17254380,MCULE-5534002747,EMOLS-id_21980687,ZINC22_20275014,TIMTEC393829	286.326	PZAIJYKRIUGLSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027452
c1(C(=O)Nc2ccc(cc2)OC)c2CCCCCc2on1	STOCK6S-91084,ChEMBL-DNDi_CHEMBL1468863,PC-id_4257438,EMOLS-id_15972068,ZINC22_426584,TIMTEC189766,ChEMBL-DNDi_CHEMBLC226-3510,CHEMBL1468863,MCULE-9174368692	286.326	HFQAHTHCTMCOSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027453
c1(C(=O)Nc2cc(C)ccc2O)c2CCCCCc2on1	PC-id_4053930,BindingDB-id_93111,BindingDB_PC-id_4053930,MCULE-6000441475,CHEMBL1398633,ChEMBL-DNDi_CHEMBLC226-3478,ZINC22_426559,TIMTEC450672,ChEMBL-DNDi_CHEMBL1398633,EMOLS-id_15972034	286.326	SKKDSNUNWDBIPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027454
c1(C(=O)Nc2cccc(OC)c2)c2CCCCCc2on1	ZINC22_20274460,MCULE-2230465083,TIMTEC448721,STOCK6S-90146,PC-id_17254332,EMOLS-id_21980607	286.326	SIGRUAOHVLAMPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027455
Cc1nc2c(o1)CCN(CC2)C(=O)OCc1ccccc1	SCHEMBL14990833,PC-id_86686083	286.326	ZBJWNMAOUWMLOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027456
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCC(C2)O	SCHEMBL366071,PC-id_66667442	286.326	YJITYBVWINQVFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027457
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCOC2C	SCHEMBL6837350,PC-id_69912365	286.326	YYPYFTWGWTUZAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027458
COC1CN(Cc2cccn2C1)C(=O)c1cccc(O)c1	EMOLS-id_55751919	286.326	UUCGYDQIJNRXEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027459
COc1nc(C)ccc1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99370693	286.326	PVJVWEBYABDVIN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027460
CO[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2cccn2C1	ZINC22_575406817	286.326	UUCGYDQIJNRXEF-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027461
CO[C@H]1CN(C(=O)c2cccc(O)c2)Cc2cccn2C1	ZINC22_575406818	286.326	UUCGYDQIJNRXEF-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027462
OC1c2c(CCCC1)cn(c2)Cc1ccc([N+](=O)[O-])cc1	PC-id_83211520	286.326	NRFYHZYSQCHPDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027463
OC1c2c(CCCC1)cn(c2)Cc1cc([N+](=O)[O-])ccc1	PC-id_83210023	286.326	IJJMMRZGWPCFFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027464
OC1c2c(CCCC1)cn(c2)Cc1c([N+](=O)[O-])cccc1	PC-id_83211524	286.326	YXAIEEXRXXTDAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027465
O(C1CCN(Cc2occc12)C)c1c(cccc1)C(=O)N	PC-id_68421465	286.326	OETOIFXGXZWYEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027466
OCc1ccc(cc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_258016672,MCULE-7059820979	286.326	KONMDTDYNRFAHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027467
OCc1ccc(cc1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_319263136	286.326	MAENELPKRDEALV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027468
O=C(n1nc(c2c1OCCCC2)C)OCc1ccccc1	SCHEMBL19646132	286.326	WWLQOYXPNAMRTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027469
OC(=O)C1c2n(CCCC1)c(c(c2)C)C(=O)c1[nH]ccc1	PC-id_70535080,SCHEMBL11197929	286.326	WQQCUQIHIPYISQ-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-027470
OC(=O)C1CCCCn2c1ccc2C(=O)c1cccn1C	PC-id_70535128,SCHEMBL11198095	286.326	BPUXOVFSROWNNV-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-027471
c12C(=O)NCC(C)(C)Cc1[nH]c(C(O)c1cccnc1)n2	PC-id_50957674,MCULE-9563269158,EMOLS-id_32386248	286.329	ZLQARSCUQWRNRL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027472
c1cc2c(cc1NCc1nc3n(n1)CCCCC3)OCO2	ZINC22_28527826,PC-id_35754637,CoCoCo_6601948	286.329	ITIKKXVZNFFUCP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-027473
c1cc2c(cc1NCc1nnc3n1CCCCC3)OCO2	MCULE-6791383485,PC-id_7177816,EMOLS-id_2703941,CoCoCo_6271266,ZINC22_4303642	286.329	KFZRLFXTDYERIB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-027474
c1(ccc(=O)[nH]c1)C(=O)NCc1c2CCCCCc2[nH]n1	EMOLS-id_36430342,MCULE-9372170683,PC-id_56705440,ZINC22_67674441	286.329	ZDJKYYPTNIDEMY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027475
C1CCn2c(CC1)nnc2CNc1cccc2c1OCO2	MCULE-3127901438,EMOLS-id_318343933	286.329	CMGMYNGPJBUOJK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-027476
c1(C(=O)Nc2ccc(cc2)OC)cn2c(CCNCC2)n1	ZINC22_1875250392,MCULE-5823333810,EMOLS-id_331131444	286.329	UWFZUUHJXZBRET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027477
c1(C(=O)Nc2cccc(OC)c2)cn2c(CCNCC2)n1	ZINC22_1875245642,EMOLS-id_331132710,MCULE-3161392058	286.329	JWNOFGAOZRVNHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027478
c1(C(=O)Nc2ccc(nc2)OC)c2CCCCCc2[nH]n1	MCULE-8921590515,EMOLS-id_49249541,ZINC22_96232368,EMOLS-id_50402468,PC-id_75490566,STOCK7S-47570	286.329	ILVCDLHLJCBRAP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027479
Cc1ccccc1CC(=O)N1CCc2n[nH]c(=O)n2CC1	MCULE-2426048879,EMOLS-id_168607809	286.329	ZJBYSYWDIIPIKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027480
Cc1cccc(C(=O)N2Cc3ccnn3CC[C@@H]2CO)n1	ZINC22_585096960	286.329	GAANHHJLLMXXDW-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027481
Cc1cccc(C(=O)N2Cc3ccnn3CC[C@H]2CO)n1	ZINC22_585096961	286.329	GAANHHJLLMXXDW-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027482
Cc1cccc(n1)C(=O)N1Cc2ccnn2CCC1CO	EMOLS-id_313819936	286.329	GAANHHJLLMXXDW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027483
Cc1ccc(NC(=O)c2nnc3n2CCOCC3)cc1C	PC-id_136551596,MCULE-7037296027,ZINC22_594639215,EMOLS-id_316913359	286.329	ISAMQBYRRDVXOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027484
Cc1ccnc(n1)CNC(=O)c1noc2c1CCCCC2	MCULE-1419477894,EMOLS-id_320022227	286.329	YPOARHWLBIHJGJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027485
CC1(C)CNC(=O)c2nc([C@@H](O)c3cccnc3)[nH]c2C1	PC-id_95124138,ZINC22_65387978	286.329	ZLQARSCUQWRNRL-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027486
CC1(C)CNC(=O)c2nc([C@H](O)c3cccnc3)[nH]c2C1	ZINC22_65387977,PC-id_95124137	286.329	ZLQARSCUQWRNRL-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027487
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(=O)n1C	PC-id_146104693,MCULE-5178901244,EMOLS-id_324031082	286.329	UMUCFGYBMKHIMX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027488
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc([nH]c1=O)C	EMOLS-id_320218298,MCULE-5976701978	286.329	URHKQKRQXSHAQV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027489
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(=O)n(c1)C	EMOLS-id_319086369	286.329	AJPVTVOYPUKTOF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027490
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(o1)C1CC1	EMOLS-id_318872003	286.329	TZQIBCVPPBDERV-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027491
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c[nH]c(cc1=O)C	EMOLS-id_319672503	286.329	QNSFDAFKAYADCA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027492
COc1ccccc1CC(=O)N1CCn2c(CC1)nnc2	CoCoCo_1144392	286.329	WEKAYYRKIYSFDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027516
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c[nH]c(=O)cc1C	MCULE-4644878557,EMOLS-id_319867356	286.329	XMFGHYMMEHNBJA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027493
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc(n1)C1CC1	EMOLS-id_318990567	286.329	SMZQLGBPXXXXJC-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027494
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1conc1C1CC1	EMOLS-id_320249783,MCULE-9751631680	286.329	NEWAOOPWLKACOP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027495
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1onc(c1)C1CC1	EMOLS-id_319922654,MCULE-1817326750	286.329	JFNDOJOCHOPWTN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027496
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ccccc1=O	EMOLS-id_318908623	286.329	BBVDMQCRJBPKES-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027497
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1cccnc1	EMOLS-id_319555031	286.329	HUTSYBCTHDKHGH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027498
Cc1nc2n(c1)CCN(CC2)Cc1nccc(c1)C(=O)O	BindingDB_PC-id_118421371,PC-id_118421371,SCHEMBL17145093	286.329	WFMDBDXXUSMLTJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027499
Cc1nccc(n1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100946604	286.329	KNZKYPCKIILBPM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027500
Cc1nc(nc(c1)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111198893	286.329	WRKFRXUKUPEDFQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027501
Cc1nc(O)cc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674802	286.329	IBSWYILQPHIWLD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027502
CC(c1nccnc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_320259515,MCULE-8466107335	286.329	UQTVIPVPRPTAGV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027503
CCc1nc(N)ncc1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_318962737	286.329	BBTMZNHPJCPURH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027504
C[C@H]1Cc2n[nH]cc2CN(C(=O)c2cccc(=O)n2C)C1	ZINC22_1455678164	286.329	UMUCFGYBMKHIMX-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-027505
C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2cccc(=O)n2C)C1	ZINC22_1455678167	286.329	UMUCFGYBMKHIMX-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027506
CCOC1CN(Cc2cccn2C1)C(=O)c1ccnnc1	EMOLS-id_50007866	286.329	PCDGWSNONRLUCU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027507
CCOC1CN(Cc2cccn2C1)C(=O)c1cnccn1	EMOLS-id_55750709	286.329	KVMKDEYJIKRXAZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027508
CCO[C@@H]1CN(C(=O)c2ccnnc2)Cc2cccn2C1	ZINC22_253384510	286.329	PCDGWSNONRLUCU-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027509
CCO[C@H]1CN(C(=O)c2ccnnc2)Cc2cccn2C1	ZINC22_253384511	286.329	PCDGWSNONRLUCU-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027510
CCO[C@H]1CN(C(=O)c2cnccn2)Cc2cccn2C1	ZINC22_575404003	286.329	KVMKDEYJIKRXAZ-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027511
CCO[C@@H]1CN(C(=O)c2cnccn2)Cc2cccn2C1	ZINC22_575404004	286.329	KVMKDEYJIKRXAZ-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027512
CC(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	EMOLS-id_50590103,MCULE-3147961553,PC-id_91922513	286.329	PRPSKXSGSFCFNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027513
CC(=O)OC(C1CCCCn2c1nnn2)c1ccccc1	SCHEMBL13482139,PC-id_16043490	286.329	OJMQJUFKLPCUSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027514
COc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319034008	286.329	IWPPQVWJLYQMGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027517
COc1ccc(cn1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101668303	286.329	SZOUYDKOLYQFRS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027518
COc1ccc(cn1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320161442,MCULE-8777138639	286.329	DZKKIQGPOYAAAQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027519
COc1ccc(nc1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319413189	286.329	UQIKOWUJNGUVDN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027520
COc1ncccc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101669320	286.329	NNGPOBUPZZCNRB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027521
COc1nccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320056293,MCULE-9059467438	286.329	MEYWWTIPSSXFEN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027522
COc1nn(c2c1CCCN(C2)C(=O)c1ccccn1)C	PC-id_97404588	286.329	SLNKDHAGLNQERQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027523
COc1nn(c2c1CCCN(C2)C(=O)c1cccnc1)C	PC-id_97515484	286.329	ZZOJPNVAHFVSKW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027524
COc1nn(c2c1CCCN(C2)C(=O)c1ccncc1)C	PC-id_97413464	286.329	PCDIQCSUPLECFU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027525
COCC1CN(Cc2n(C1)ccn2)C(=O)c1ccccn1	PC-id_118739334	286.329	CHUXZEBNEMAIGL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027526
COCC1CN(Cc2nccn2C1)C(=O)c1ccncc1	EMOLS-id_46148441	286.329	IOGIMONBUSKPNL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027527
COC[C@H]1CN(C(=O)c2ccncc2)Cc2nccn2C1	PC-id_97381744,ZINC22_96059091	286.329	IOGIMONBUSKPNL-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027528
COC[C@@H]1CN(C(=O)c2ccncc2)Cc2nccn2C1	ZINC22_96059092,PC-id_97381745	286.329	IOGIMONBUSKPNL-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027529
COC(=O)C1CCc2n(CC1)c(nn2)Cc1ccccn1	PC-id_136557119,MCULE-7715974935,EMOLS-id_316951117	286.329	CKDJHBANQFCUSA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027530
COC(=O)[C@@H]1CCc2nnc(Cc3ccccn3)n2CC1	ZINC22_601043520	286.329	CKDJHBANQFCUSA-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027531
COC(=O)[C@H]1CCc2nnc(Cc3ccccn3)n2CC1	ZINC22_601043521	286.329	CKDJHBANQFCUSA-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-027532
n12CCN(CCc1n[nH]c2=O)C(=O)CCc1ccccc1	MCULE-3802033397,EMOLS-id_239628690	286.329	RISSSRSJBBSLKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027533
n1c(Cc2ccccc2)nn2CCN(CC(=O)O)CCc12	EMOLS-id_337800074,ZINC22_2356167830,MCULE-5133309940	286.329	DYCHMELYTDZESE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027534
Nc1cccc(n1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_319924270,MCULE-9211221954	286.329	PEENXEKXOCMIEI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027535
N#CCN1CCCn2cnc(COCc3ccco3)c2C1	EMOLS-id_44371504,PC-id_97520066,ZINC22_96259986	286.329	PZMNTRGQVHTXOD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-027536
Oc1cccc(c1)CNC(=O)C1CCn2c(CC1)nnc2	MCULE-3244556118,EMOLS-id_320179101	286.329	YJZBBXOLMKRSFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027537
Oc1ccc(nc1)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319263484	286.329	ZWMVJVZOFPFSAN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027538
O=c1cc[nH]c(c1)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_278918259	286.329	WDDXNERBBZKXMO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027539
O(C1Nc2n(Cc3ccccc3)cnc2C(=O)NC1)CC	PC-id_71770020	286.329	ZPBCJZORYCFLKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027540
O=c1[nH]nc2CCN(Cc3ccc4OCCc4c3)CCn12	PC-id_91922377,EMOLS-id_50589921,MCULE-4776850753	286.329	VOIAUEQTKJJYAM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-027541
O=C(c1cc2c(o1)CCCC2)N1CCCn2c(C1)cnn2	EMOLS-id_319602394	286.329	DOLVURMOXNSWMD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027542
O=C(C1CCc2n(C1)cnn2)N1CCCc2c(C1)cco2	EMOLS-id_98651958	286.329	OZBGOAIKZVNPOS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027543
OCc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316535267	286.329	OCFXZZFTVVQKMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027544
OCc1ccc(cn1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319809504	286.329	OZVTTYOLBPEIIB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027545
O=C(C1CCCn2c1ncn2)N1CCCc2c(C1)cco2	EMOLS-id_319608603	286.329	NRDWBMLOCZFTNF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027546
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)C)O	EMOLS-id_316639837	286.329	PZKSLTNBSOHDQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027547
O=C(c1cncc(c1O)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101674772	286.329	ZDOFAFAMELBDMJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027548
O=C(c1conc1C1CC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101678198	286.329	COCHYOZPZUGAAW-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027549
OCc1nccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319343367	286.329	BDJQQHKGTQTPAY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027550
O=C(c1nnn(c1)CC1CC1)N1CCCc2c(C1)cco2	EMOLS-id_101307942	286.329	ZLZXYRFFZKBDRB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-027551
O=C(c1noc2c1CCCCC2)N1CC(C1)c1cc[nH]n1	EMOLS-id_319962311,MCULE-3277218786	286.329	FSZHQJRWZMWWCI-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-027552
O=C(c1noc2c1CCCCC2)N1CC(C1)c1[nH]ccn1	EMOLS-id_319504671	286.329	NUKALAZTEVOFFV-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-027553
O=C(c1noc2c1CCCCC2)N1CCc2c(C1)cn[nH]2	EMOLS-id_111417337	286.329	BILLHQCRLVACGZ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027554
O=C(c1noc2c1CCCCC2)NC1(CC1)c1[nH]ccn1	EMOLS-id_319793853	286.329	LGFNKNNWTVVCDI-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027555
O=C(c1noc2c1CCCCC2)Nc1[nH]cc(n1)C1CC1	EMOLS-id_99238160,MCULE-6789382275	286.329	GKINUGOIDMCFJZ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027556
O=C(c1noc2c1CCCCC2)NCCc1ncccn1	EMOLS-id_320149329,MCULE-2209042222	286.329	WYRZQDJQFXVUQC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027557
O=C(c1noc(c1)C1CC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101846476	286.329	RFGXFCLJDYCNTC-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027558
O=C(Cn1nc2CCCCCn2c1=O)Nc1ccccc1	ZINC22_9690885,MCULE-1248255362,EMOLS-id_31863524,PC-id_17407537,SPECS-id_AT-687/NB01954	286.329	FOTXQKODWAZIBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027559
O=C(N1CCCc2c1c[nH]n2)c1noc2c1CCCCC2	EMOLS-id_111966979	286.329	WRHRYDVFBUKSHH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027560
O=C(N1CCCc2c(C1)cco2)C1CCn2c(C1)ncn2	EMOLS-id_319270510	286.329	WPHPHBOTWLSGOW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027561
O=C(N1CCCc2c(C1)cco2)c1cnc(cn1)N(C)C	EMOLS-id_100663829	286.329	REDDJEUOYBBWEY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027562
O=C(N1CCCc2c(C1)cco2)Cc1n[nH]c(n1)C1CC1	EMOLS-id_319267742	286.329	SLZSMNGBIYEGPE-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027563
O=C(N1CCn2c(CC1)nnc2C)OCc1ccccc1	SCHEMBL13209046,PC-id_59006404	286.329	HTYODFULJBGKMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027564
O=C(NCc1cncc(O)c1)c1cnc2n1CCCCC2	MCULE-4521588421,PC-id_136566358,ZINC22_886273446,EMOLS-id_316989625	286.329	YOUFXLHHABLGSO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027565
O=C(NCc1nnc2n1CCCCC2)c1ccccc1O	EMOLS-id_30708352,MCULE-4244001898,PC-id_47019765,ZINC22_48324508	286.329	GAUHZAHUTSDQQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027566
O=C(NCc1n[nH]c2c1CCCCC2)C1C=CC(=O)N=C1	PC-id_76403595	286.329	WKAXXGQPZBTNIE-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-027567
OC(=O)c1cc(ccc1N)Cc1nnc2n1CCCCC2	PC-id_116418280	286.329	AKTFWSIFTQHZMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027568
OC(=O)c1ccnc(c1)CN1CCCCn2c(C1)ncc2	SCHEMBL19741663	286.329	PGJUQXAEYDOPMR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027569
N#CC(=Cc1c2-c(c(c1N)C#N)cccc(c2)C(C)C)C#N	PC-id_102312868	286.331	VOXRQSLXCXEYCN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027570
N(=Nc1ccc(cc1)C)c1c2-c(c(c1N)C#N)ccccc2	PC-id_13409900	286.331	DHRRNDDJFCETRZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-027571
c12C(CCCCn1nnn2)C(=O)NCc1cc(C)ccn1	MCULE-9428200102,EMOLS-id_177462410,PC-id_122567433	286.332	VLOCHERLOKPLCJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027572
c12CN(CCCn1nc(C#N)c2)Cc1nnc(C(C)C)o1	MCULE-4842217298,EMOLS-id_222786723,ZINC22_670468179	286.332	OHNXLWKMZLQPGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027573
c12nnnn1CCCCC2C(=O)Nc1cc(CC)ccn1	MCULE-3302062946,EMOLS-id_331108127	286.332	PHDZGXGBOVOOER-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027574
Cc1cccc(n1)N(C(=O)C1CCn2c(CC1)nnn2)C	MCULE-2663134108,EMOLS-id_316880823	286.332	JSMVCSVPJHFGEO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027575
Cc1cccc(N(C)C(=O)[C@@H]2CCc3nnnn3CC2)n1	ZINC22_651350162	286.332	JSMVCSVPJHFGEO-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027576
Cc1cccc(N(C)C(=O)[C@H]2CCc3nnnn3CC2)n1	ZINC22_651350163	286.332	JSMVCSVPJHFGEO-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-027577
Cc1ccc(nc1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320303756,MCULE-5185787479	286.332	RNXIPWBLTHTOEB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027578
Cc1ccnc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319031733	286.332	WWSLLIXOOZDOMX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027579
Cc1ccnc(CNC(=O)[C@@H]2CCCCn3nnnc23)c1	ZINC22_534654512	286.332	VLOCHERLOKPLCJ-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027580
Cc1ccnc(CNC(=O)[C@H]2CCCCn3nnnc23)c1	ZINC22_534654513	286.332	VLOCHERLOKPLCJ-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027581
O=C(N1CCCn2c(C1)cc(n2)N)Nc1cccc(n1)C	EMOLS-id_320176158,MCULE-1686529204	286.332	QWTVOPKEKALGFM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027603
Cc1cnc(cn1)C(=O)NCc1cc2CNCCCn2n1	ZINC22_82134275,EMOLS-id_44443299,MCULE-8906708860,PC-id_70761391	286.332	BLHQZBHFMRXWIG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027582
Cc1cnc(C(=O)NCc2nnc3n2CCCCC3)cn1	EMOLS-id_30687772,MCULE-6329006057,ZINC22_48291103,PC-id_47019769	286.332	HFRGKSCOJUBYJG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027583
CCc1ccncc1NC(=O)N1CCCn2c(C1)cnn2	EMOLS-id_318914249	286.332	SDQASIPPCCVZFH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027584
CCc1ccnc(NC(=O)[C@@H]2CCCCn3nnnc23)c1	ZINC22_1875244269	286.332	PHDZGXGBOVOOER-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027585
CCc1ccnc(NC(=O)[C@H]2CCCCn3nnnc23)c1	ZINC22_1875244270	286.332	PHDZGXGBOVOOER-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-027586
C=CCn1cc(C(=O)N2CCCc3c(cnn3C)C2)nn1	ZINC22_952886642,MCULE-8751852975,EMOLS-id_316157521	286.332	CZQFFLZXKHFNCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027587
C[C@H](NC(=O)c1cnccn1)c1nnc2n1CCCCC2	PC-id_94069850,ZINC22_45897624	286.332	GMNFVFKNIACWKP-JTQLQIEISA-N	00000000100000100101000000000010000000000000000000000000	31-01-027588
C[C@@H](NC(=O)c1cnccn1)c1nnc2n1CCCCC2	PC-id_94069851,ZINC22_45897625	286.332	GMNFVFKNIACWKP-SNVBAGLBSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027589
CC(=O)N1CCCn2cnc(CNc3ncccn3)c2C1	PC-id_97519509,EMOLS-id_44370402,ZINC22_96259425	286.332	VIHROXVWNZDOTB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027590
CNc1cnc(cn1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319700780	286.332	ZOPCWJMJSXXFFK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027591
n12CCCNCc1cc(CNC(=O)c1ccnc(N)c1)n2	ZINC22_82166345,EMOLS-id_44451861,MCULE-9463553272,PC-id_70785955	286.332	NZAGRRSSXIWIPH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027592
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O=C(N(C1CCn2c(CC1)nnc2C)C)c1ccncn1	EMOLS-id_97080971,MCULE-9144423166	286.332	MBEIAJIRDPTYRS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027609
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O=C(N(C1CCn2c(CC1)nnc2C)C)c1ncccn1	MCULE-7796043751,EMOLS-id_97080976	286.332	HVTYLOIJXPQVKJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027611
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S(CC1n2c(noc2=O)CCCC1)CC(C)C(=O)O	PC-id_72611615	286.347	SXYIUMOBKRJCSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027623
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Nc1ccc(cc1)C(=O)N1CCCC(=O)c2c1ccs2	PC-id_21467138,SCHEMBL5239857	286.349	TXCDKBUAJYAQRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027628
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CN(C(=O)CS(=O)(=O)c1nnc2n1CCCCC2)C	EMOLS-id_111004218	286.351	FKUUDVFVXUYLJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027631
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c1ccc2oc(Sc3nnc4n3CCCCC4)nc2c1	PC-id_47278897,EMOLS-id_35724442,MCULE-9826833139,ZINC22_48553314	286.352	RBUSGWVTALOLLI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-027636
CC(c1nnc(s1)Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_320251824,MCULE-4560758871	286.352	WKMCGSABYYPWFP-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-027637
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N#Cc1ccc(s1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319448659	286.352	ZCGHGIYFWBAMEK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-027640
N#Cc1cnc(nc1)Cn1c(=O)sc2c1CCCCC2	EMOLS-id_101975914,MCULE-9093953281	286.352	ZSCGGJPSLLQUJB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027641
N#Cc1csc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101673098	286.352	YNFCSLHIFBCSKJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-027642
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c1ccc2c(c1)sc(n2)NC1CCc2n(CC1)nnn2	EMOLS-id_102032807,MCULE-3373903716	286.355	DINJBTUEFIGLQT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-027660
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N#Cc1nc(nc(c1)C)Sc1nnc2n1CCCCC2	PC-id_107551330	286.355	GZENJNJZUGXEPI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027665
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CCCCCCc1ccc2-c1cc(ccc2)OC(=O)OC	SCHEMBL8335263,PC-id_17776112	286.365	HWSWPDIHGBLGLL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027668
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CC(=O)/C(=Cc1ccc2-c1ccccc2)/c1ccccc1C	SCHEMBL14216235	286.367	MWQNWZVMFYSCFF-KGENOOAVSA-N	00000010100000110110000000000010000000000000000000000000	31-01-027676
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c1(C(=O)NCC2CC3CC2C=C3)c2CCCCCc2on1	MCULE-5148302843,PC-id_71701103,STOCK7S-41631,EMOLS-id_48565274	286.369	QKIZAIYJFBRACR-UHFFFAOYSA-N	00000011100000000101000000000110000000000000000000000000	31-01-027678
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CCCC(CCC)[N-]C(=O)c1cc2-c(nc([o+]2)C)ccc1	PC-id_137427121	286.369	POLAOIPNQYAYMW-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-027680
CCCC(NC(=O)C1=Cc2oc(nc2C=C=C1)C)CCC	SCHEMBL20662775	286.369	RIENLFRKMABGKQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027681
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CNC1C(=O)N(CCc2c1occ2)CC1=CC=CC1(C)C	SCHEMBL14172455,PC-id_23554814	286.369	UTAWTFWQCMLKMM-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-027683
COc1ccc(cc1)Cn1nc(c2c1CCCCC2)CO	SCHEMBL1006441,PC-id_66874445	286.369	JYKHGQFDFJFNSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027684
COc1ccc(Cc2n[nH]c3CCCCCc23)cc1OC	EMOLS-id_337932567	286.369	SGYFHRAZGANDRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027685
COC(C1CCCCC1)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_320274849,MCULE-3144276763	286.369	QANSCRSUMCKDHG-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-027686
OC1c2c(CCCC1)cn(c2)Cc1nc(cc(OC)c1)C	PC-id_83211745	286.369	UHNSNEUSKSSNEQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027687
O=c1nc2-c(n1CCCCC1CCOCC1)ccccc2	MCULE-6821368754,EMOLS-id_320308502	286.369	FWCQKPCCNGXEFP-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-027688
O=c1n([nH]c2c1CCCCC2)CCCOc1ccccc1	PC-id_66022960	286.369	GIXMBNMEINGFGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027689
OC(C(N1CCCCC1)C)c1c2-c([nH]c1=O)ccccc2	PC-id_85517870	286.369	SAVLVGVZLCSRGK-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-027690
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1noc2c1CCCCC2	PC-id_98200287,ZINC22_101369823	286.369	QKIZAIYJFBRACR-AVGNSLFASA-N	00000011100000000101000000000110000000000000000000000000	31-01-027691
O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)c1noc2c1CCCCC2	ZINC22_101369826,PC-id_98200289	286.369	QKIZAIYJFBRACR-RWMBFGLXSA-N	00000011100000000101000000000110000000000000000000000000	31-01-027692
O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1noc2c1CCCCC2	ZINC22_95472655,PC-id_97263589	286.369	QKIZAIYJFBRACR-AGIUHOORSA-N	00000011100000000101000000000110000000000000000000000000	31-01-027693
O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1noc2c1CCCCC2	ZINC22_95472656,PC-id_97263590	286.369	QKIZAIYJFBRACR-FRRDWIJNSA-N	00000011100000000101000000000110000000000000000000000000	31-01-027694
C1CCCCn2c(nnc12)CNc1ccc(OCC)cc1	MCULE-7669244682,PC-id_1511982,ZINC22_1432474,TIMTEC314393,CoCoCo_5900415,EMOLS-id_829434	286.372	MOICGCWAIYTSHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027695
C1CCn2c(CC1)nnc2CNC1CCCc2c1cco2	EMOLS-id_318271320,MCULE-1820907310	286.372	VHANLQZNOJZLBL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027696
c1(CN(C)C(=O)c2cccn2C)c2CCCCCc2[nH]n1	PC-id_91763545,MCULE-8479513737,EMOLS-id_55612727	286.372	XSBJVHRDGINFLP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027697
c1(C(=O)NCc2c3CCCCCc3[nH]n2)ccn(C)c1C	ZINC22_584887531,EMOLS-id_177383141,MCULE-9850951764	286.372	UTKDEYQFXUBBQP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027698
Cc1ccc(CNC[C@H]2COCc3c(C)nnn3C2)cc1	PC-id_97469386,ZINC22_96199313	286.372	VCZSZHSRRYFTMA-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027699
Cc1ccc(CNC[C@@H]2COCc3c(C)nnn3C2)cc1	PC-id_97469387,ZINC22_96199314	286.372	VCZSZHSRRYFTMA-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027700
Cc1ccc(CO)cc1NCc1nnc2n1CCCCC2	MCULE-3513125387,ZINC22_297586195,EMOLS-id_257928448	286.372	HLGFQWAYEKKRCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027701
Cc1ccc(c(=O)n1C)NCc1cnc2n1CCCCC2	EMOLS-id_318379255,MCULE-6280979094	286.372	IGQJKIIKLPATQK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027702
Cc1cc(NCc2cnc3n2CCCCC3)c(=O)n(c1)C	EMOLS-id_318821134,MCULE-6946307325	286.372	IVBTUSHZWZHMPJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027703
Cc1ccn(c(=O)c1NCc1cnc2n1CCCCC2)C	EMOLS-id_318553822,MCULE-8984822190	286.372	GHFJYCQUONVPRX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027704
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(n(c1C)C)C	EMOLS-id_318886353	286.372	HGTABLQGVVDQBH-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027705
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCn1cccc1	EMOLS-id_319405971	286.372	PJMIGIBUUVMHMX-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027706
Cc1nnn2CC(CNCc3ccc(C)cc3)COCc12	EMOLS-id_44332543	286.372	VCZSZHSRRYFTMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027707
CC(c1ccc(cc1)OCc1nnc2n1CCCCC2)N	EMOLS-id_318579992,MCULE-4675941487	286.372	KNRCIAYGIFUZBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027708
CCc1n(C)ccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319717090	286.372	GUDDMWRZHJFUFH-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027709
CC(c1nnc2n1CCN(CC2)C/C=Cc1ccco1)C	CoCoCo_1539996,CoCoCo_1539998	286.372	FDZLERSUDNWEFB-HYXAFXHYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-027710
CCCC1N(CCCn2ccnc12)C(=O)c1cccn1C	MCULE-3265085443,EMOLS-id_55717280	286.372	KFHJXGLCJZPKIW-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027711
CCCc1[nH]ccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319985573,MCULE-7336369179	286.372	WOQVVWKCRUGREJ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027712
CC(C)c1nnc2CCN(C/C=C/c3ccco3)CCn12	EMOLS-id_44854289,PC-id_25294331,CoCoCo_1539997,ZINC22_59322779,CoCoCo_1539999	286.372	FDZLERSUDNWEFB-HWKANZROSA-N	00000000101000000101000000000010000000000000000000000000	31-01-027713
CCCC(C(=O)N1CCCn2cncc2C1)n1cccc1	PC-id_56897249,MCULE-4131896514,EMOLS-id_43119357	286.372	GVUMPAJOOZVWGR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027714
CCC[C@@H](C(=O)N1CCCn2cncc2C1)n1cccc1	PC-id_95721903,ZINC22_72157235	286.372	GVUMPAJOOZVWGR-HNNXBMFYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027715
CCC[C@H](C(=O)N1CCCn2cncc2C1)n1cccc1	PC-id_95721904,ZINC22_72157236	286.372	GVUMPAJOOZVWGR-OAHLLOKOSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027716
CC(C(=O)NCc1n[nH]c2CCCCCc12)n1cccc1	EMOLS-id_177399761,MCULE-8395588449	286.372	IXXHRDFIHRBVPE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027717
C[C@H](C(=O)NCc1n[nH]c2c1CCCCC2)n1cccc1	ZINC22_584889643	286.372	IXXHRDFIHRBVPE-GFCCVEGCSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027718
C[C@@H](C(=O)NCc1n[nH]c2c1CCCCC2)n1cccc1	ZINC22_584889644	286.372	IXXHRDFIHRBVPE-LBPRGKRZSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027719
CCn1cccc(c1=O)NCc1cnc2n1CCCCC2	MCULE-8859396724,EMOLS-id_318528602	286.372	CAYZRXUDAHFDGH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027720
CCOc1ccccc1CNc1nnc2n1CCCCC2	ZINC22_8325613,PC-id_4752662,MCULE-3200967597	286.372	SHVIZZOYYYUQNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027721
CCOc1ccccc1NCc1nnc2CCCCCn12	SCHEMBL17792802,ZINC22_4303638,CHEMBL1395307,MCULE-2095240795,PC-id_7177812,CoCoCo_2580233,EMOLS-id_2701528	286.372	QGQTXESMVYIPAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027722
CCOc1ccc(CNc2nnc3n2CCCCC3)cc1	PC-id_4752520,MCULE-7805914090,ZINC22_8324120	286.372	VWOADIUHLSOQAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027723
CCOc1ccc(NCc2nc3n(n2)CCCCC3)cc1	ZINC22_28527772,MCULE-5482083966,CoCoCo_6601520,PC-id_16458752	286.372	HALCRMKLTTUHOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027724
Cn1c(c2CNCCCc2n1)OC[C@@H](c1ccccc1)N	PC-id_136590251	286.372	UHIUDCVRAVXVHY-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027725
CN(Cc1ccccc1)Cn1nc2n(c1=O)CCCCC2	CoCoCo_4549598,PC-id_29899427,MCULE-1872531072,EMOLS-id_29989424,CoCoCo_4549597,ZINC22_21959089	286.372	ACDGQFAENOCQER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027726
COc1cccc(c1C)NCc1nnc2n1CCCCC2	MCULE-7798374083,EMOLS-id_318075993	286.372	PNBAKUOTFDOBFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027727
COc1cccc(c1NCc1nnc2n1CCCCC2)C	MCULE-4924177603,EMOLS-id_318512928	286.372	FOYVUQIUBAMTPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027728
COc1ccc(C)cc1CNc1nnc2n1CCCCC2	PC-id_4752649,ZINC22_8549710,MCULE-9352531180	286.372	YXGYSESWUIULFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027729
COc1ccc(C)cc1NCc1nc2n(n1)CCCCC2	PC-id_16458780,MCULE-5420273866,CoCoCo_6601991,ZINC22_28527840	286.372	SQTTYGBBNXUSQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027730
COc1ccc(C)cc1NCc1nnc2CCCCCn12	PC-id_7177817,ZINC22_4303643,CoCoCo_6271282,EMOLS-id_10085736,MCULE-6814074476	286.372	FGNYYVOYPMUOSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027731
COc1cc(C)ccc1NCc1nnc2n1CCCCC2	MCULE-8975341402,EMOLS-id_318119251	286.372	WYCKXOAOHGTGLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027732
COc1ccc(c(n1)C)NCc1cnc2n1CCCCC2	MCULE-9554345474,EMOLS-id_318597864	286.372	DFRBDFIFJOFXAD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027733
COc1cc(CN2CC(C)Cc3c(C2)cn[nH]3)nc(c1)C	MCULE-2670245850,EMOLS-id_320253177	286.372	YGGCOVXHLFKWBY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027734
COc1ccc(nc1NCc1cnc2n1CCCCC2)C	EMOLS-id_318525238,MCULE-6989080765	286.372	GHJHHKAXARIMQK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027735
COc1ccc(NCc2nnc3CCCCCn23)cc1C	EMOLS-id_10115518,PC-id_35136999,ZINC22_27752429,CoCoCo_6360380,MCULE-9950786441	286.372	HFZNFCOUHZXXIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027736
COc1ncc(cc1NCc1cnc2n1CCCCC2)C	MCULE-3186937239,EMOLS-id_318514431	286.372	ZQEITCUQZRGLED-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027737
COCC1CCn2nccc2CN1Cc1cccc(C)n1	EMOLS-id_313821733	286.372	RYBQCOQVBCLNGA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027738
COCC1CCn2nccc2CN1Cc1ncccc1C	EMOLS-id_313821988	286.372	PDWOHEHOKRJTIF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027739
COC[C@@H]1CCn2nccc2CN1Cc1cccc(C)n1	ZINC22_585097857	286.372	RYBQCOQVBCLNGA-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027740
COC[C@H]1CCn2nccc2CN1Cc1cccc(C)n1	ZINC22_585097858	286.372	RYBQCOQVBCLNGA-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027741
COC[C@@H]1CCn2nccc2CN1Cc1ncccc1C	ZINC22_585097661	286.372	PDWOHEHOKRJTIF-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027742
COC[C@H]1CCn2nccc2CN1Cc1ncccc1C	ZINC22_585097662	286.372	PDWOHEHOKRJTIF-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027743
n12CCN(CCc1nnc2C(C)C)CC=Cc1ccco1	PC-id_74416993,MCULE-6751281151	286.372	FDZLERSUDNWEFB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-027744
N#CC1(CCCCC1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670215	286.372	NPZVHIVKTITEMM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-027745
N#CC1(CCCCC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320061713,MCULE-6009452107	286.372	DBQPFIYXWRESFN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-027746
N#CC(c1nnc2n1CCCCC2)C(=O)C1CCCCC1	EMOLS-id_35682291,MCULE-7452553273,PC-id_53512196	286.372	JYYQTWINWSORMV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-027747
N#CCCCc1nc(c2n1CCCC(=CC2)CC)C(=O)N	SCHEMBL14002102,PC-id_71047683	286.372	CMAHJKWTFZUNQT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027748
N#C[C@@H](C(=O)C1CCCCC1)c1nnc2n1CCCCC2	PC-id_95148872,ZINC22_65533699	286.372	JYYQTWINWSORMV-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-027749
N#C[C@H](C(=O)C1CCCCC1)c1nnc2n1CCCCC2	PC-id_95148873,ZINC22_65533704	286.372	JYYQTWINWSORMV-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-027750
o1nc(nc1C1CC1)Cn1cc2C(NC)CCCCc2c1	PC-id_83209650	286.372	YZTZABNYSVDAMG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027751
o1nc(nc1Cn1cc2C(NC)CCCCc2c1)C1CC1	PC-id_83210606	286.372	UXGCJOMBDRQTHW-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027752
O=C1c2c(CCCC1)cn(Cc1n(ncn1)CC(C)C)c2	PC-id_83206844	286.372	BHCIIRNCMXULCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027753
Oc1ccccc1CN1CCn2c(CC1)nnc2C(C)C	PC-id_42324918,ChEMBL-DNDi_CHEMBL13795185	286.372	XPQYDCYMSJTIRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027754
OC1CCCCc2c1cn(c2)Cc1nnc2n1CCCC2	PC-id_107078486	286.372	WOOIDONUCVMJOL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027755
Oc1ccc(CNC(c2n3CCCCCc3nn2)C)cc1	PC-id_43746921	286.372	FFOZADWGZRUVGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027756
Oc1cc(CNC(c2n3CCCCCc3nn2)C)ccc1	PC-id_43746940	286.372	KTWQJJIDVFWHKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027757
Oc1c(CNC(c2n3CCCCCc3nn2)C)cccc1	PC-id_43746936	286.372	HCWGVICJGDQPTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027758
O=C(c1cc(n(c1C)C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_102920518	286.372	RCRJINQOEIGYIZ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027759
O=C(c1n[nH]c2c1CCCCC2)NCc1ccc(n1C)C	EMOLS-id_319145968	286.372	HPLVBXDZJKJGCJ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-027760
c12cncn1CCCN(Cc1cnc(nc1)NC(C)C)C2	ZINC22_72143813,EMOLS-id_43133197,PC-id_56901060,MCULE-1673805087	286.375	UYYIRKOKYTZPTH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027761
c1(Cc2nnc3CCCCCn23)nnc2CCCCCn12	Chemmine_63944,PC-id_625435,EMOLS-id_694537,SPECS-id_AT-225/JK09409,ZINC22_4076909,MS2_R914231,CoCoCo_1960609,MCULE-4246738142	286.375	GFYQDSGSXGEWGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027762
C1CCc2n(CC1)c(cn2)CNc1nn2c(n1)CCCC2	MCULE-7150610518,EMOLS-id_318459373	286.375	KHRGIDNUZUMAAX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027763
Cc1cc2CN(Cc3cc4CNCCCn4n3)CCn2n1	MCULE-5470047081,ZINC22_72138708,EMOLS-id_43087065,PC-id_56889379	286.375	QVTZURBNPPZVRL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027764
Cc1cc(N(C)Cc2nnc3n2CCCCC3)nc(C)n1	MCULE-9411102451,ZINC22_48250978,EMOLS-id_32028790,PC-id_47054089	286.375	QXNTVBIZUNINAF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027765
Cc1cc(NCCc2nnc3n2CCCCC3)nc(C)n1	PC-id_45809313,EMOLS-id_30201180,MCULE-3955980944,ZINC22_44908348	286.375	MKQGIYAVYQFWNW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027766
CC1CN(Cc2c(C1)[nH]nc2)Cc1nc(nn1C)C1CC1	EMOLS-id_318996640	286.375	RCJQJEQNKVKKHY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027767
CC1CN(Cc2c(C1)[nH]nc2)Cc1nnc2n1CCCC2	MCULE-9421780006,EMOLS-id_319952634	286.375	UGUABXHXLBGQJM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027768
Cc1cnnn1Cc1ncn2c1CN(CC1CC1)CCC2	ZINC22_96259471,EMOLS-id_44370492,PC-id_97519554	286.375	KXWZITBSTZSHDT-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-027769
Cc1nc(C2CCC2)nn1Cc1nnc2n1CCCCC2	MCULE-4388418400,EMOLS-id_316149047,ZINC22_418923909	286.375	NBLCXNGCTAVJFA-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-027770
Cc1nc(NCc2nnc3n2CCCCC3)c(c(n1)C)C	EMOLS-id_318241998,MCULE-7667462056	286.375	QCGPKIZRWLNACL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027771
CCc1cc(NCc2nnc3n2CCCCC3)nc(n1)C	EMOLS-id_317969870,MCULE-8074960618	286.375	LPLYFSGNOGPNJE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027772
CC(c1cncnc1C)NCc1nnc2n1CCCCC2	MCULE-7849378723,EMOLS-id_318204199	286.375	QSMOZHNVQFMMAA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027773
CC(c1nccc(n1)NCc1nnc2n1CCCCC2)C	EMOLS-id_318556512,MCULE-9665300424	286.375	SSLMFIJOFXBWDN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027774
CC(c1ncnc(c1)NCc1nnc2n1CCCCC2)C	EMOLS-id_317935821,MCULE-8349002891	286.375	PFNRVKXDSAARRK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027775
CCc1nc(NCc2nnc3n2CCCCC3)cc(n1)C	MCULE-8010975333,EMOLS-id_317999658	286.375	HSYQIVKKVWJEEN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027776
CCc1nc(NCc2nnc3n2CCCCC3)nc(c1)C	EMOLS-id_318257637,MCULE-8365376422	286.375	QUNARJJPZQYNPB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027777
CC(Cc1nccnc1)NCc1nnc2n1CCCCC2	EMOLS-id_316447334,MCULE-1889767855	286.375	WVAYCWWLPQZMNJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027778
CCCN1CCCn2nnc(CNc3cccnc3)c2C1	PC-id_97519587,ZINC22_96259504,EMOLS-id_44370556	286.375	OVBBECZXXXAUCQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027779
C=Cn1cc(CNCCc2nnc3n2CCCCC3)cn1	EMOLS-id_75986241,MCULE-4324905984,PC-id_121552175,ZINC22_194196447	286.375	MXQUNXKIPPVEGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027780
C=Cn1ncc(c1)CNC(c1nnc2n1CCCCC2)C	PC-id_106936381	286.375	SZUPQSXJNKXWNA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027781
Cn1nc(nc1CN1CCCc2c(C1)cnn2C)C1CC1	EMOLS-id_318328003	286.375	DHRMLXFSCQJKCA-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-027782
CN(c1ncc(cn1)CN1CCCc2c(C1)cnn2C)C	EMOLS-id_101844712	286.375	JJRQFOZQTFFYMQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027783
CN(C)Cc1nnc2CCN(Cc3ccccn3)CCn12	PC-id_97519944,ZINC22_96259863,EMOLS-id_44371266	286.375	DBNHQXJDTDRUBZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027784
CN(C)Cc1nnc2CCN(Cc3cccnc3)CCn12	EMOLS-id_46182931,ZINC22_96084955,PC-id_97405773	286.375	SXPQXRTVFGFEIR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027785
CN(C)Cc1nnn2c1CN(Cc1cccnc1)CCC2	ZINC22_96259478,EMOLS-id_44370508,PC-id_97519561	286.375	FGTDHZWGORAKNH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027786
n12CCCCCc1nnc2C(NCc1nc(ncc1)C)C	PC-id_62748061	286.375	NQNYETDEBVPQHO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027787
n12CCCCCc1nnc2C(NC(C)c1nccnc1)C	PC-id_64191314	286.375	PLVYNOSQKBCOHT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-027788
CNC1CCCCc2c1cn(c2)Cc1ccc(cc1C)F	PC-id_114346690	286.387	KGCJHLKJBNYGJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027789
CNC1CCCCc2c1cn(c2)Cc1cc(F)ccc1C	PC-id_105372685	286.387	TURNXNPQYHYFAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027790
Fc1ccc(Cn2cc3C(NCC)CCCCc3c2)cc1	PC-id_83210244	286.387	RPVOKCVIFHFQOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027791
Fc1cc(Cn2cc3C(NCC)CCCCc3c2)ccc1	PC-id_83209474	286.387	UXVZSPGZAZMVTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027792
Fc1c(Cn2cc3C(NCC)CCCCc3c2)cccc1	PC-id_83211149	286.387	OPTYOMJGQNHRMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027793
COc1cccc(c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_114962470	286.389	QTFIFGGUDRIILU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027794
COc1ccccc1C(=O)c1cc2c(s1)CCCCC2	PC-id_114962786	286.389	VGVFNTLOTLWRAB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027795
s1c2CCCCCc2cc1C(=O)c1ccc(OC)cc1	PC-id_43462897	286.389	SRWFYSAFJSWOTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027796
S(CCc1c2-c(c(c1)C=CC(=O)O)ccccc2)CC	PC-id_85570861	286.389	AMIBPLMDKXYKGH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027797
CCS(=O)(=O)N1Cc2cccn2C[C@@H](CCOC)C1	ZINC22_585095067	286.39	CNPVGWDGZZUTOA-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027798
CCS(=O)(=O)N1Cc2cccn2C[C@H](CCOC)C1	ZINC22_585095068	286.39	CNPVGWDGZZUTOA-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027799
CCS(=O)(=O)N1CC(CCOC)Cn2cccc2C1	EMOLS-id_313748661	286.39	CNPVGWDGZZUTOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027800
CN(CCCS(=O)(=O)N1CCCc2c(C1)cco2)C	MCULE-5603294277,EMOLS-id_319925818	286.39	BIUVTXFEYATETD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027801
c1(c2CCCCCc2sc1N)C(=O)Nc1ccccc1	MCULE-7202177389,EMOLS-id_3785188,PC-id_724227,ZINC22_130306,CoCoCo_5986899	286.392	HQJCSMZHFALGMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027802
c1(cc2c(CCCCCC2)s1)C(=O)Nc1cccnc1	EMOLS-id_2319915,CoCoCo_543653,MCULE-5415133626,PC-id_1247581,TIMTEC83519,ZINC22_1056452	286.392	BQRJFXPLXRQHHG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027803
c1(cc2c(CCCCCC2)s1)C(=O)Nc1ccncc1	CoCoCo_1067333,ZINC22_16580199,MCULE-3864025957,PC-id_17248971,EMOLS-id_14094164,TIMTEC276610	286.392	KYDPTVJYUQASOH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027804
c1(C(=O)NCc2ccccn2)cc2c(CCCCC2)s1	EMOLS-id_16622965,ZINC22_16580641,TIMTEC392068,MCULE-7875966369,CoCoCo_1068264,PC-id_25236247	286.392	PXBAWHDYZFZAEP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027805
c1(C(=O)NCc2cccnc2)cc2c(CCCCC2)s1	ZINC22_16602249,TIMTEC123364,CoCoCo_1068877,MCULE-7165601696,PC-id_25236257,EMOLS-id_16623033	286.392	DJGABEWNSIFODV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027806
Cc1cccc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318797137	286.392	GRBSBBMPAIVQSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027807
Cc1cccc(c1)C(=O)Nc1nc2CCCCCc2s1	CoCoCo_4546084,PC-id_17535777,EMOLS-id_16783501,MCULE-9568206564,ZINC22_12745331	286.392	AMZXRDZKQFFZOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027808
Cc1ccc(cc1)C(=O)Nc1nc2CCCCCc2s1	MCULE-5335458882,EMOLS-id_16728758,PC-id_17518169,ZINC22_12918315,CoCoCo_4546046	286.392	VJFMZAHVYDKTHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027809
Cc1ccccc1C(=O)Nc1nc2CCCCCc2s1	ZINC22_12791270,MCULE-9780668851,CoCoCo_4546054,EMOLS-id_16764634,PC-id_17530043	286.392	DOGATAUENGUFGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027810
Cc1cccnc1NC(=O)c1cc2c(s1)CCCCC2	ZINC22_12553840,CoCoCo_3880362,MCULE-1311933052,PC-id_17476253,EMOLS-id_13557427	286.392	LJPLJUBFMCWTQC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027811
Cc1ccnc(NC(=O)c2cc3c(s2)CCCCC3)c1	EMOLS-id_25006297,ZINC22_27647843,MCULE-3192381968,CoCoCo_3880130,PC-id_35029179	286.392	LULUHIZFWMFLCV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027812
C/C=CC=C/C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_3773601	286.392	QKAJYOQVVOGJDT-LGCJXHEPSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027813
C/C=CC=CC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_3773602	286.392	QKAJYOQVVOGJDT-IPIUBCRSSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027814
C/C=C/C=CC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_3773603	286.392	QKAJYOQVVOGJDT-GQICYRDHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027815
CC=CC=CC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_3484501,EMOLS-id_26181626	286.392	QKAJYOQVVOGJDT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027816
C/C=C/C=C/C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_5839813,ZINC22_5504796,CoCoCo_3773600	286.392	QKAJYOQVVOGJDT-XPQLPGEHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027817
CNC1C(=O)N(CCc2c1scc2)Cc1ccccc1	PC-id_23554836,SCHEMBL14172246	286.392	XRRCZBJCRPCJML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027818
COc1ccccc1/C=C/c1nc2c(s1)NCCCC2	PC-id_15069491,SCHEMBL8316364	286.392	JAJCXGSPULMTRB-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027819
COc1ccccc1/C=Cc1nc2c(s1)NCCCC2	SCHEMBL8316367	286.392	JAJCXGSPULMTRB-KTKRTIGZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027820
COc1ccc(cc1)/C=C/c1sc2c(n1)CCCCN2	SCHEMBL8317001,PC-id_15069485	286.392	GBYFHJUCZHXBQC-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027821
O=C(c1cc2c(s1)CCCCC2)NNc1ccccc1	EMOLS-id_50289350,PC-id_78774940,MCULE-1327047267	286.392	HMZIZAQIEIHHAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027822
O=C(c1csc2c1CCCCC2)NCc1ccccn1	PC-id_122176105	286.392	WCELWDCCVCELCG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027823
O=C(Cc1ccccc1)Nc1nc2CCCCCc2s1	EMOLS-id_257852541,MCULE-9940347076,CoCoCo_4546039,PC-id_24241170	286.392	HCGLNKHXPKGJKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027824
O=C(N1CCCc2c(C1)ccs2)CNc1ccccc1	EMOLS-id_318175823,MCULE-3731287879	286.392	QXEMOOIDZKYSLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027825
O=C(Nc1ccccn1)c1cc2c(s1)CCCCCC2	ZINC22_12543421,PC-id_17460055,MCULE-6425661116,EMOLS-id_13513628,CoCoCo_3829207	286.392	AAUXPCBVOHSTJK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027826
s1c2CCCCCc2cc1C(=O)Nc1ccc(N)cc1	PC-id_28388273	286.392	FYFOYPWXYLMJGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027827
s1c2CCCCCc2cc1C(=O)Nc1cc(N)ccc1	PC-id_28388267	286.392	LIPSWZIANMUYHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027828
s1c2CCCCCc2cc1C(=O)Nc1c(N)cccc1	PC-id_28388269	286.392	QABHUFZDUJJSFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027829
s1c2c(CCCCC2)c(c1)C(=O)NCc1cccnc1	PC-id_20881826	286.392	DTBGHRDKZRZTNM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027830
s1c2CCCCCc2cc1C(=O)NCc1ccncc1	PC-id_18107638	286.392	ANXMZOGXMGVXOF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027831
s1c2NCCCCc2nc1C=Cc1ccc(OC)cc1	PC-id_53830260	286.392	GBYFHJUCZHXBQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027832
s1c2NCCCCc2nc1/C=C/c1cc(OC)ccc1	PC-id_15069496	286.392	LAWCRDFWRCWULE-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027833
s1c2NCCCCc2nc1C=Cc1cc(OC)ccc1	PC-id_54023963	286.392	LAWCRDFWRCWULE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027834
s1c2NCCCCc2nc1C=Cc1c(OC)cccc1	PC-id_15069492	286.392	JAJCXGSPULMTRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027835
CC1CN(CCS(=O)(=O)N(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_318857716	286.394	JWPSUUDMCKLJAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027836
CCCN(S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_320236994,MCULE-9582998381	286.394	WWQUGVNYPLPNFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027837
CCN(CC)S(=O)(=O)N1Cc2c[nH]nc2C[C@H](C)C1	ZINC22_952993500	286.394	IAKDZFYKEQMRHT-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-027838
CCN(CC)S(=O)(=O)N1Cc2c[nH]nc2C[C@@H](C)C1	ZINC22_952993503	286.394	IAKDZFYKEQMRHT-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027839
CCN(S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)CC	EMOLS-id_316972659,MCULE-1854583249	286.394	IAKDZFYKEQMRHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027840
CCS(=O)(=O)N1Cc2nccn2C[C@H](CN(C)C)C1	PC-id_97381844,ZINC22_96059191	286.394	NOETUIRVZHUCBQ-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-027841
CCS(=O)(=O)N1Cc2nccn2C[C@@H](CN(C)C)C1	PC-id_97381845,ZINC22_96059192	286.394	NOETUIRVZHUCBQ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027842
CCS(=O)(=O)N1CC(CN(C)C)Cn2ccnc2C1	EMOLS-id_46148541	286.394	NOETUIRVZHUCBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027843
CCS(=O)(=O)NCCN1CC(C)Cc2c(C1)cn[nH]2	MCULE-4863145679,EMOLS-id_320221994	286.394	XRGNYKCFLNRRGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027844
COCC(C(Sc1nnc2n1CCCCC2)CO)N	PC-id_114370148	286.394	HSGVCVLGBUTBTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027845
S(=O)(=O)(NC(c1n2CCCCCc2nn1)C)C(C)C	PC-id_64585133	286.394	JRJORWGULLVDMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027846
S(=O)(=O)(NC(c1n2CCCCCc2nn1)C)CCC	PC-id_64585332	286.394	AKJVAZAFWGAOMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027847
C1CN(CCc2c1nc(s2)N)CC=Cc1ccccn1	SCHEMBL7286300,PC-id_88123858	286.395	MLGMKZOCEHLHBR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027848
C1CN(CCc2c1nc(s2)N)CC=Cc1cnccc1	PC-id_86745242,SCHEMBL7293451	286.395	SQLQALMDUYOXAJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027849
C1CSc2n(CC1)nc(n2)N[C@@H]1CCc2c1cccc2	SCHEMBL21052652,PC-id_138680421	286.395	KGRXRHYXKRTAHL-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-027850
Nc1nc2c(s1)CCN(CC2)C/C=Cc1ccccn1	SCHEMBL7286290	286.395	MLGMKZOCEHLHBR-HYXAFXHYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027851
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccn1	SCHEMBL7294825	286.395	MLGMKZOCEHLHBR-HWKANZROSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027852
Nc1nc2c(s1)CCN(CC2)C/C=Cc1cccnc1	SCHEMBL7293435	286.395	SQLQALMDUYOXAJ-RQOWECAXSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027853
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccnc1	SCHEMBL7293914	286.395	SQLQALMDUYOXAJ-DUXPYHPUSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027854
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccncc1	SCHEMBL7285026,PC-id_19985932	286.395	XUFRZEQSFSNPAH-OWOJBTEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027855
s1c2CCN(CCc2nc1N)CC=Cc1ccncc1	PC-id_54488723	286.395	XUFRZEQSFSNPAH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027856
s1c2n(cc(n2)Cn2cc3C(N)CCCCc3c2)cc1	PC-id_83206154	286.395	NGIRHZWOJPVLNK-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-027857
C/C/1=C/CC/C(=C/c2oc([C@@H]([C@H](CC1)C(=C)C)O)cc2)/C	PC-id_102056621	286.409	LQPSYEKOZCGSQV-NJABQKFZSA-N	00000000100000000110000000000010000000000000000000000000	31-01-027858
O=C1CCC(Cc2c1c(sc2C)S(=O)(=O)C)(C)C	PC-id_143162533	286.41	QRZQNYWQSJLOOI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027859
O=C(c1cc2c(s1)CCCCC2)CCS(=O)(=O)C	PC-id_114969621	286.41	VPWJWPZENNJDPC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027860
CC1=c2c(=C(CCCC1)OC1CC3CCC1C3)c(n[nH]2)C	PC-id_91334309	286.412	RWWGDMNNSQUIGS-UHFFFAOYSA-N	00000010100010000111000000000110000000000000000000000000	31-01-027861
O=c1c(CCC)cc2[nH]c(nc2cc1CCC)CCCC	PC-id_57310874	286.412	HFZLDFCHJPKTQI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027862
O=S(=O)(c1cc2c(s1)CCNCC2)N1CCCC1	PC-id_11659246,SCHEMBL2995500,TT-id_D00DFK	286.414	PNLIEWKBUHJNCB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-027863
C1=C[C@H]2C[C@H]1C[C@H]2CNCCc1nnc2n1CCCCC2	PC-id_98343289,ZINC22_102685734	286.415	VVSMNSJCMDQINQ-KKUMJFAQSA-N	00000011100000000101000000000110000000000000000000000000	31-01-027864
C1=C[C@H]2C[C@H]1C[C@@H]2CNCCc1nnc2n1CCCCC2	ZINC22_102685736,PC-id_98343290	286.415	VVSMNSJCMDQINQ-SOUVJXGZSA-N	00000011100000000101000000000110000000000000000000000000	31-01-027865
C1CCn2c(CC1)nnc2CCNCC1CC2CC1C=C2	MCULE-9308343927,EMOLS-id_49101740,PC-id_71973306	286.415	VVSMNSJCMDQINQ-UHFFFAOYSA-N	00000011100000000101000000000110000000000000000000000000	31-01-027866
c1(C#N)c2CCCCCc2sc1N=Cc1cccs1	MCULE-9778649271,BindingDB-id_69025,PC-id_658859,ChEMBL-DNDi_CHEMBL1449852	286.415	QLBWWLSFFUHUJQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-027867
C#CCN1CCC(CC1)NCc1n[nH]c2CCCCCc12	EMOLS-id_232853751,ZINC22_820365057,MCULE-2664717809	286.415	DYUXIYYETFJNHS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-027868
CCNC1CCCCc2c1cn(c2)CCc1ccnn1C	PC-id_103005647	286.415	XVBLFHLBFWVYMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027869
CCNC1CCCCc2c1cn(c2)CCc1cnn(c1)C	PC-id_103005646	286.415	CQYVNCSDLWRCPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027870
CCNC1CCCCc2c1cn(c2)CCc1nccn1C	PC-id_114528964	286.415	CFIFOKGZWHJZRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027871
n1(cc2C(N)CCCCc2c1)Cc1n(nc(c1)CC)CC	PC-id_83211302	286.415	LXJFPAGEBGLLFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027872
n1(cc2C(N)CCCCc2c1)Cc1nn(C(CC)C)cc1	PC-id_83211300	286.415	INSRZNCERCKDHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027873
n1(cc2C(NC)CCCCc2c1)Cc1n(CCC)cnc1	PC-id_83210929	286.415	CTGHEQHQELUVFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027874
n1(cc2C(NC)CCCCc2c1)Cc1n(C(C)C)cnc1	PC-id_83210930	286.415	VHYATMXIHDJLLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027875
n1(cc2C(NC)CCCCc2c1)Cc1n(nc(c1)C)CC	PC-id_83210765	286.415	OUHWTFKVIWWKFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027876
n1(cc2C(NC)CCCCc2c1)Cc1n(nc(c1)CC)C	PC-id_83211317	286.415	RZRJURAWHBPGGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027877
n1(cc2C(NC)CCCCc2c1)Cc1nn(C(C)C)cc1	PC-id_83210590	286.415	YCCRMGLHNYWWJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027878
n1(cc2C(NCC)CCCCc2c1)Cc1cn(nc1)CC	PC-id_83211768	286.415	NZZCLGXARVYSMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027879
n1(cc2C(NCC)CCCCc2c1)Cc1n(CC)ccn1	PC-id_83209276	286.415	IRGLXKSYRDPSOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027880
n1(cc2C(NCC)CCCCc2c1)Cc1n(CC)cnc1	PC-id_83211159	286.415	KSITXWPOHIGFJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027881
n1(cc2C(NCC)CCCCc2c1)Cc1n(nc(c1)C)C	PC-id_83209664	286.415	QOOHIHCAUJUFTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027882
n1(cc2C(NCC)CCCCc2c1)CCCn1ccnc1	PC-id_83209478	286.415	WEZUNTCYFMYRII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027883
n1(cc2C(NCC)CCCCc2c1)CCn1c(ncc1)C	PC-id_83209274	286.415	QRCAZMSUKHTXPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027884
n1(cc2C(NCCC)CCCCc2c1)Cc1n(cnc1)C	PC-id_83209673	286.415	BEQLUCWHXKRXDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027885
n1(cc2C(NCCC)CCCCc2c1)CCn1ccnc1	PC-id_83209678	286.415	ACKPDHYCOFSWPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027886
n1(cc2C(NCCC)CCCCc2c1)CCn1nccc1	PC-id_83209670	286.415	MGCKVFZCKWFOOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027887
N(C1CCCCc2c1cn(c2)Cc1cn(nc1)C)CCC	PC-id_83209281	286.415	QCLMYDLNKGSJAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027888
N(C1CCCCc2c1cn(c2)Cc1n(ccn1)C)CCC	PC-id_83209495	286.415	WTEPJPUNLVSQPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027889
N(C1CCCCc2c1cn(c2)Cc1nn(cc1)C)CCC	PC-id_83210963	286.415	HNRXBYPQSBVZIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027890
N(CC1C2CC(C1)C=C2)C(c1n2CCCCCc2nn1)C	PC-id_43791290	286.415	GVEXOXRWLUOSFO-UHFFFAOYSA-N	00000011100000000101000000000110000000000000000000000000	31-01-027891
N#Cc1c2CCCCCc2sc1/N=C/c1cccs1	EMOLS-id_26257434,BindingDB-id_208692,ZINC22_13116069,PC-id_9568647,BindingDB_PC-id_9568647,STOCK1S-77895	286.415	QLBWWLSFFUHUJQ-LICLKQGHSA-N	00000000100100000100000000000010000000000000000000000000	31-01-027892
Cc1cccc(c1C)C(c1cc2c(s1)CCCCC2)O	PC-id_115791632	286.432	XQCUMUURLQKMSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027893
Cc1cc(C)cc(c1)C(c1cc2c(s1)CCCCC2)O	PC-id_114979669	286.432	SFPXXDHVLWZEHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027894
CCc1cccc(c1)C(c1cc2c(s1)CCCCC2)O	PC-id_115823892	286.432	KWSHHOUOHAGQEQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027895
OC(c1cc2c(s1)CCCCC2)CCc1ccccc1	PC-id_114978985	286.432	JVUQKWBMVBHKBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027896
s1c2c(CCCCC2)cc1C(O)c1c(cc(cc1)C)C	PC-id_63425838	286.432	SZXACYNCFWJTHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027897
s1c2c(CCCCC2)cc1C(O)c1c(ccc(c1)C)C	PC-id_63425889	286.432	LEALQVBRABRKPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027898
s1c2c(CCCCC2)cc1C(O)c1ccc(cc1)CC	PC-id_63426749	286.432	FPACJTHYNOLGPJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027899
s1c2c(CCCCC2)cc1C(O)c1cc(c(cc1)C)C	PC-id_63427920	286.432	NLOPRDQHZGQGKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027900
s1c2c(CCCCC2)cc1C(O)Cc1ccc(cc1)C	PC-id_63518610	286.432	WTXBGDNLROBNDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027901
s1c2c(CCCCC2)cc1C(O)Cc1c(cccc1)C	PC-id_63520005	286.432	RYGYDAAGNHNYRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027902
s1c2c(CCCCC2)cc1C(O)Cc1cc(ccc1)C	PC-id_63520363	286.432	CJOHBPZJRUMGTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027903
S(c1oc(c2CCCCCc12)CCC)c1ccccc1	PC-id_13780469	286.432	XPITUMWIPBMKEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027904
S(Cc1c2-c(c(cc(C(C)(C)C)c1)C)ccc2C=O)C	PC-id_10979030	286.432	LPUFBCZQCOTGAC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027905
S(Cc1cc(C(C)(C)C)cc(c2-c1ccc2C=O)C)C	PC-id_11098141	286.432	SOAROBBZMUZJCM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027906
CCNC(c1cc2c(s1)CCCCC2)c1cccnc1	PC-id_115798927	286.435	UXDYPRIYEHAONO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027907
CNC(c1cc2c(s1)CCCCC2)c1ccc(nc1)C	PC-id_115854896	286.435	QFEFFRHZKULOJQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027908
CNC(c1cc2c(s1)CCCCC2)Cc1cccnc1	PC-id_105034657	286.435	ORNRHTDIPHUIHH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027909
CNC(c1cnccc1C)c1cc2c(s1)CCCCC2	PC-id_105006518	286.435	ANKBAMKVVBIGLV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027910
CNC(c1cncc(c1)C)c1cc2c(s1)CCCCC2	PC-id_105023133	286.435	SPWAJSPXVLTCCQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027911
n1c2CCCCCc2sc1C(C)NCc1ccccc1	MCULE-2577619349,PC-id_46784963	286.435	FZCPLPCWYWSLNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027912
NNC(c1cc2c(s1)CCCCC2)c1ccc(cc1)C	PC-id_105285297	286.435	XZTBIOWTUDUECE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027913
NNC(c1cc2c(s1)CCCCC2)Cc1ccccc1	PC-id_105283040	286.435	RJYWCEASKZZTDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027914
NNC(c1cccc(c1)C)c1cc2c(s1)CCCCC2	PC-id_105284808	286.435	XTPYDTBCKFLWSH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027915
NNC(c1ccccc1C)c1cc2c(s1)CCCCC2	PC-id_105285975	286.435	YLPHCEHGWXXZMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027916
s1c2c(CCCCC2)cc1C(N)C(c1ccncc1)C	PC-id_66446752	286.435	ZUIRAIRPTWCVJA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027917
s1c2c(CCCCC2)cc1C(N)Cc1ncc(cc1)C	PC-id_66445938	286.435	GYRRJAQVDGWCHW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027918
s1c2c(CCCCC2)cc1C(N)Cc1ncccc1C	PC-id_66448806	286.435	CRQQPXOWNIBKPZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027919
s1c2c(CCCCC2)cc1C(NC)Cc1ccncc1	PC-id_65580445	286.435	WEZRZMJAEOVGIP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027920
s1c2c(CCCCC2)cc1C(NC)Cc1ncccc1	PC-id_65582944	286.435	XLQILKCQHDPQLI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027921
s1c2c(CCCCC2)cc1C(N)C(C)c1ncccc1	PC-id_66447784	286.435	FLCKEHQFPQQADG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-027922
S(CCn1cc2C(N)CCCCc2c1)c1ccccc1	PC-id_83208796	286.435	GZYAMTQIQFPDDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027923
C1CCc2c(CC1)sc(c2)C(=O)NNC(=S)S	PC-id_137709846	286.437	BMCNRMRAEHAYFY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027924
c12c(coc1)[C@@H]([C@@H](C)CCC=C(C)C)CC/C(=C/CC2)/C	CMNPD500	286.452	GMTKEPFGCNZLDV-ZWAJWSPZSA-N	00000000100000000110000000000010000000000000000000000000	31-01-027925
c12c(coc1)[C@@H]([C@@H](C)CCC=C(C)C)CC/C(=CCC2)/C	CMNPD501	286.452	GMTKEPFGCNZLDV-BYDNTSKGSA-N	00000000100000000110000000000010000000000000000000000000	31-01-027926
CC(=CCC[C@H]([C@H]1CC/C(=C/CCc2c1coc2)/C)C)C	PC-id_23426809,UNPD101826	286.452	GMTKEPFGCNZLDV-YBFUFRCZSA-N	00000000100000000110000000000010000000000000000000000000	31-01-027927
CC(=CCC[C@H]([C@H]1CC/C(=CCCc2c1coc2)/C)C)C	UNPD184750	286.452	GMTKEPFGCNZLDV-BLUWKUTNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-027928
o1cc2c(c1)C(CC/C(=CCC2)/C)C(C)CCC=C(C)C	CNP0243972,PC-id_74052000	286.452	GMTKEPFGCNZLDV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-027929
o1cc2[C@@H]([C@@H](CCC=C(C)C)C)CCC(=CCCc2c1)C	PC-id_23426810	286.452	GMTKEPFGCNZLDV-IEBWSBKVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-027930
n1(CC2C3CC(C2)CC3)cc2c(c1)CCCCC2NCC	PC-id_83209271	286.455	SRADAVUCEGSUIY-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-027931
s1nc2SSSSSc2c1C(=O)N	PC-id_13479575	286.461	RUUHBVQUSHEQIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027932
c12CN(CCCn1nc(C#N)c2)Cc1cccc(Cl)c1	ZINC22_670447974,MCULE-1959027057,EMOLS-id_222764739	286.759	YQJRFKQYTQUJAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027933
c1(NC(=O)CCl)sc2c(CCCCC2)c1C(=O)N	CoCoCo_6803043,TIMTEC184918,PC-id_3659172,EMOLS-id_841931,MCULE-7480087974	286.778	HACJHOLURLQFBI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027934
CC1=C(CCCn2c1c(Cl)cn2)SC(C(=O)O)C	PC-id_138567997,SCHEMBL20925818	286.778	SWIJLECYMBKIMP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027935
O=C(N1CCC=Cc2c1nc(s2)Cl)OC(C)(C)C	PC-id_102430098	286.778	NNICRTVBPZLTSG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027936
O=C(N1CC=CCc2c1nc(s2)Cl)OC(C)(C)C	PC-id_102430103	286.778	NIJCNJGHODBFHB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027937
Clc1nc(Sc2n3CCCCCc3nn2)sc1	PC-id_83156626	286.804	WFJRXTIRQQGVKQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027938
Brc1c2-c(nc1Br)ccccc2	PC-id_86086806	286.951	PIYNCBFJLKFRQK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027939
Brc1c2-c(ncccc2)c(Br)c1	PC-id_13486333	286.951	ZUGMZVKTSJVYAK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027940
Brc1ccccc2-c1ncc2Br	PC-id_101157114	286.951	BZTKVLFADVWTJQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027941
Ic1c(=O)c2oc(nc2ccc1)C	PC-id_13812961	287.054	ADFSMFDDCMMMJR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027942
CC1=CC(C)(I)C=c2c(=C1)[nH]nn2	PC-id_143231065	287.1	PARFXVNVGUGAIS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027943
Ic1cnc2n1C=CC(N=C2)(C)C	PC-id_142111815	287.1	FQTKRMVSQKUAEH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027944
c12N(C)C(=O)CN(C)C(=O)c1n(c(Br)n2)C	EMOLS-id_4416658,ZINC22_504321,MCULE-3850047745,STOCK1S-94397,PC-id_549228	287.113	XVWZIGNGYDCYFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027945
C1CCc2nnc(n2CC1)/C(=C(/C(Cl)Cl)O)/C#N	PC-id_135615356	287.145	MZXXYEUXCGFROD-CLFYSBASSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027946
ClC(Cl)C(=O)C(c1n2CCCCCc2nn1)C#N	PC-id_78525195	287.145	HAROPSIZAVQPKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027947
ClC(Cl)C(=O)[C@H](c1n2CCCCCc2nn1)C#N	PC-id_7689894	287.145	HAROPSIZAVQPKP-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027948
CCNC1=NC2=C(S1)CCN(CC2)CC3=CC=CC=C3	PC-id_164129936	287.146	YMVIOJYYCBEICH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027949
CC1(CC2=C(CN(C1)C(=O)CC3=CN=CN3C)C=NN2)C	MCULE-7487690402,EMOLS-id_317275127,PC-id_154763842	287.175	YWDAXDVNOIOYEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027950
[se]1nc2N(C(=O)C(N(C(=O)c2n1)C)CC)C	PC-id_10541257	287.177	LCVDEMKXARMCRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027951
NC1=NCC=Nc2c1ncn2CCOCP(=O)(O)O	PC-id_144127457	287.212	FKEFWGTWSQEHCB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-027952
Oc1c2-c(c(c([N+]#N)c2C(=O)OC)C(=O)OC)cccc1	PC-id_10636924	287.248	VSVZFNIWOIDICF-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-027953
CC(C1CC(Oc2c(O1)c[se]c2)C(C)C)C	PC-id_140593254	287.257	JBUQUDFFKJRFID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027954
[se]1c(c2OCC(CC)(CC)COc2c1C)C	PC-id_59566420	287.257	ZNNDABNRGGSYEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027955
Brc1c2CCCCCCCCc1sc2C	PC-id_10613267	287.259	XHKCMKVQMISZLA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-027956
COC(=O)c1c2-c(c(c1N)C(=O)OC)ccc(cc2)C=O	PC-id_101826759	287.267	LIEVECVXOHXMLJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027957
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)C(F)(F)F	EMOLS-id_319126872	287.281	UPECZZZCSPVJKE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-027958
S1(=O)(=O)CCCCn2nc(nc12)C(=O)CC(=O)OC	PC-id_82667638	287.292	KWCJJAVPOBGXCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027959
CCC(C(F)F)NC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-5748248286,EMOLS-id_320107208	287.309	WDAZXBMFFAXZPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027960
CC1CCC(c2n(C1)c(cc2)C(=O)c1ccoc1)C(=O)O	SCHEMBL11195095,PC-id_20484074	287.31	OAQJFWVPTRFWLN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-027961
Cc1coc(c1)CNCc1occ2c1C(=O)CCCC2=O	PC-id_145095177	287.31	MKUCGDKHVAHBEN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-027962
CCOC(=O)c1c2-c(ccccc2)c(C(=O)OCC)c1N	PC-id_312940,NSC225268,ZINC22_1757124,CoCoCo_5544154,MCULE-3281850535,EMOLS-id_44469354,LI_171348	287.31	FKLMJXLPXBUJDE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027963
CCOC(=O)c1cc(c2-c1ccc(cc2)N)C(=O)OCC	NSC225264,PC-id_312936,LI_171344,CoCoCo_5544150	287.31	SWWKTHAAJLVXEN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027964
COc1cccc(c1C(=O)N1CCCc2c(C1)cco2)O	MCULE-1036350063,EMOLS-id_320115764	287.31	CDCDCVDFDVMXEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027965
O1c2c(OCCC1)cn(c2)CC(=O)OCc1ccccc1	PC-id_57738868,SCHEMBL3252810	287.31	UCXUOVPWMMNOLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027966
O=C(N1CCCc2c(C1)cco2)Cc1ccc(c(c1)O)O	EMOLS-id_318912615	287.31	VIXZZYWEYMTZPC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-027967
OC(=O)C1c2n(CCCC1)c(c(c2)C)C(=O)c1occc1	PC-id_20483681,SCHEMBL11194358	287.31	VSKNXLXBPAMRKZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-027968
OC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(o1)C	SCHEMBL11197897,PC-id_20483949	287.31	FWVLPEGTQPUOKP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-027969
OC(=O)C1CCCCn2c1ccc2C(=O)c1occc1C	PC-id_20483985,SCHEMBL11202168	287.31	ULZATSNVCMVSRF-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-027970
OC(=O)C1CCCCn2c1ccc2C(=O)c1occ(c1)C	SCHEMBL11198935,PC-id_20484018	287.31	ZWILWWKSPXMDKS-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-027971
OC(=O)C(c1c2-c(c(c1N)C(C)C(=O)O)ccccc2)C	SCHEMBL5873594,PC-id_22178347	287.31	QGMQCIHLBONJND-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027972
COC(=O)c1cc(c2-c1ccccc2)C#Cc1ccccn1	PC-id_101271580	287.312	QUQISHVNJIRJHM-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-027973
O1CCOCCOCc2[nH]nc(n2)COCCOCC1	PC-id_13905973	287.312	KGZKDAWIHUVEKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027974
OC[C@H]([C@H]([C@@H](C(c1nc2n(n1)CCCCC2)O)O)O)O	PC-id_102382685	287.312	LAEQPRDROCZVRU-ZCZLBPHLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027975
OC[C@H]([C@H]([C@@H]([C@@H](c1nc2n(n1)CCCCC2)O)O)O)O	PC-id_100996813	287.312	LAEQPRDROCZVRU-SNXWAXQRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027976
OC(C(O)c1nn2CCCCCc2n1)C(O)C(O)CO	PC-id_73321487	287.312	LAEQPRDROCZVRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027977
O[C@@H]([C@H](O)c1nn2CCCCCc2n1)[C@H](O)[C@H](O)CO	PC-id_16750842	287.312	LAEQPRDROCZVRU-WKJUBOCMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-027978
Cc1ccc(c(n1)NC(=O)c1noc2c1CCCCC2)O	EMOLS-id_111943454	287.314	IBDUIDPOGVLLQG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027979
Cc1ccc(c(n1)O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111935830	287.314	IQBWONMIAIPERB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027980
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1O)O	EMOLS-id_319696723	287.314	YAPCXXJWFFRRDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027981
CC1OCCN(C1)C(=O)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_319567340	287.314	GYWCCPHJEPTAHN-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-027982
CN(C(=O)ONC(=O)Cc1ccc2-c(cc1)cc(c2)N)C	PC-id_141055237	287.314	KPAYDPPZKTYWML-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-027983
COc1cccc(c1C(=O)N1CCCc2c(C1)c[nH]n2)O	EMOLS-id_257955644,MCULE-5168057285	287.314	MKSJKKBGAHQTNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027984
COc1ccccc1OC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316534137	287.314	SUPIVPVERVJVHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027985
Oc1cccc(c1C(=O)N1CCCc2c(C1)cnn2C)O	EMOLS-id_101673101	287.314	IAAHDYNZSNKTMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027986
Oc1ccc(c(c1)O)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101846335	287.314	SQSOZOVNUGZJIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027987
Oc1cc(ccc1O)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_319233449	287.314	OEEPNOIVDBWZKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027988
O=c1cc[nH]c(c1)CNC(=O)c1noc2c1CCCCC2	MCULE-9534909803,EMOLS-id_320209070	287.314	BOFBBRXSOWQTCY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-027989
O=c1n2CCCCCc2nn1Cc1c(cccc1)C(=O)O	PC-id_43426895	287.314	VVXFZCJRQXVELP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027990
O=c1n2CCCCCc2nn1Cc1ccc(cc1)C(=O)O	PC-id_43426901	287.314	JEFYCIQBMCFABA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027991
O=c1n2CCCCCc2nn1Cc1cc(ccc1)C(=O)O	PC-id_43426902	287.314	FKXVGJRJHCTGGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027992
Oc1n[nH]c2CCN(CCc12)C(=O)OCc1ccccc1	EMOLS-id_331269155	287.314	PMDUEFFZXLEQPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027993
O=C(c1nn2c(c1)OCCC2)N1CCCc2c(C1)cco2	EMOLS-id_99321871	287.314	XGHDXBKJBHOKPW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-027994
O=C(c1n[nH]c2c1CCCCC2)Nc1ccc(c(c1)O)O	EMOLS-id_319278815	287.314	WGQUDJPXOOFPOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027995
O=C(N1CCCc2c(C1)c[nH]n2)Cc1ccc(c(c1)O)O	EMOLS-id_319256781	287.314	PGBWUNWOBPAVTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027996
OC(=O)N1CCc2c(CC1)c(=O)[nH]n2Cc1ccccc1	PC-id_141114040	287.314	RBOZYZKCBNJSCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027997
OC(=O)N1CCc2c(CC1)[nH]nc2OCc1ccccc1	PC-id_141174209	287.314	LAIPVVDYZAQWBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-027998
CCOP(=O)(C[N@@H+]1CCCn2c(C1)ccc2)OCC	GD-id_ZINC06402395,PC-id_40611100	287.315	NJYPGLNJJNCGOM-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-027999
C1CN(Cc2cc(nn2C1)CO)C(=O)Cc1nccnc1	PC-id_91773107	287.317	OROOYTYFJZDONB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028000
s1c2c(C(Oc3ccc(cc3)CC)CN(CC2)C)cc1	PC-id_68409852	287.42	VQOIHMRCCGCFNG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028390
Cc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)O	EMOLS-id_102166342	287.317	UTBHPUQOKUTWMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028001
Cc1ccc(c(c1)O)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102181008	287.317	NSGCOSWWLBFYOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028002
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(=O)n(n1)C	EMOLS-id_318982936	287.317	BVDICJPRWRUOCX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028003
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1cccnc1=O	EMOLS-id_320012208,MCULE-6489040509	287.317	PKXLRAHGSHMOMN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028004
Cc1nnc2CCC(CCn12)NC(=O)c1ccc(O)nc1	EMOLS-id_50590231,PC-id_91922582,MCULE-3621489680	287.317	DOWCJUVEEYULOA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028005
Cn1c2CCCN(Cc2c(=O)n1C)C(=O)c1cnccn1	EMOLS-id_44335419,PC-id_97471108,ZINC22_96201044	287.317	NDAQXZIOMBVVFQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028006
COc1ccc(cn1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-4870492728,EMOLS-id_320007360	287.317	UXTHMAAJPQKMMB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028007
COc1ccncc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278129508	287.317	TXXQOODCRYYTTJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028008
COC1CN(Cc2ccnn2C1)C(=O)c1cnc(C)cn1	EMOLS-id_50008758	287.317	IFVJJCGNWNZQOY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028009
COc1cncc(n1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318862796	287.317	SOBHVEGCEFOVQB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028010
COc1cnc(nc1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318852248	287.317	KHHQNEBZPKKOFC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028011
COc1nccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316481426	287.317	SWPTXZJVBOISTC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028012
COc1ncccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319323455	287.317	USCMOMQLQRTKHO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028013
COc1nccc(n1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320188596,MCULE-7863844918	287.317	PZINUTZNKWOWTR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028014
COc1nn(c2c1CCCN(C2)C(=O)c1cnccn1)C	PC-id_97404581	287.317	WRIFEGXPCNKBFQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028015
COc1nn(C)c2c1CCCN(C(=O)c1ccnnc1)C2	ZINC22_96254434,PC-id_97515485,EMOLS-id_44366586	287.317	NQUHDHVUGHPXJX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028016
COCC1CN(Cc2cncn2C1)C(=O)c1ncccn1	EMOLS-id_49228893	287.317	BFKMWQVMZVHPFP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028017
COCC1CN(Cc2nccn2C1)C(=O)c1ccnnc1	EMOLS-id_46183557	287.317	RVLXYVGVZHHPER-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028018
COCC1CN(Cc2nccn2C1)C(=O)c1cnccn1	EMOLS-id_46148443	287.317	BECNCWUMRVMHSY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028019
COC[C@H]1CN(C(=O)c2ccnnc2)Cc2nccn2C1	ZINC22_96086770,PC-id_97406084	287.317	RVLXYVGVZHHPER-LLVKDONJSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028020
COC[C@@H]1CN(C(=O)c2ccnnc2)Cc2nccn2C1	ZINC22_96086771,PC-id_97406085	287.317	RVLXYVGVZHHPER-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-028021
COC[C@H]1CN(C(=O)c2cnccn2)Cc2nccn2C1	ZINC22_96059093,PC-id_97381746	287.317	BECNCWUMRVMHSY-LLVKDONJSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028022
COC[C@@H]1CN(C(=O)c2cnccn2)Cc2nccn2C1	ZINC22_96059094,PC-id_97381747	287.317	BECNCWUMRVMHSY-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-028023
COC[C@@H]1CN(C(=O)c2ncccn2)Cc2cncn2C1	PC-id_97474798,ZINC22_96206637	287.317	BFKMWQVMZVHPFP-LLVKDONJSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028024
COC[C@H]1CN(C(=O)c2ncccn2)Cc2cncn2C1	ZINC22_96206636,PC-id_97474797	287.317	BFKMWQVMZVHPFP-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-028025
CO[C@@H]1CN(C(=O)c2cnc(C)cn2)Cc2ccnn2C1	ZINC22_253601056	287.317	IFVJJCGNWNZQOY-GFCCVEGCSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028026
CO[C@H]1CN(C(=O)c2cnc(C)cn2)Cc2ccnn2C1	ZINC22_253601057	287.317	IFVJJCGNWNZQOY-LBPRGKRZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028027
n12C(CCCCc1n[nH]c2=O)C(=O)NCc1ccccn1	MCULE-7951668104,EMOLS-id_207869226	287.317	GKXRJBHDIPZPRV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028028
n1c(CNc2cnc(cn2)C(=O)O)c2c(CCCCC2)[nH]1	ZINC22_1506405829,EMOLS-id_316268332,MCULE-3724082625	287.317	CWZLPCQBRMFRPH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028029
Nc1ccnc(CNC(=O)c2noc3c2CCCCC3)n1	MCULE-5467751486,EMOLS-id_49966740,PC-id_86803176,ZINC22_97103232	287.317	UPXPTKXUEYILKV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028030
NC(=O)c1cnccc1OCc1nnc2n1CCCCC2	ZINC22_826848996,MCULE-8985730553,EMOLS-id_258061884	287.317	PRGFYMDRTRVGCV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028031
O=c1ccc(nn1C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_316495762	287.317	MAFFUIBHMDQXDW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028032
O=C(c1ccc(c(c1)C)O)NC1CCn2c(CC1)nnn2	EMOLS-id_102180942	287.317	RZYUNOUSBVEWCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028033
O=C(c1cccc(c1O)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102166333	287.317	WZDALSBZSHSLQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028034
O=C(c1ccc(c(c1)O)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102166345	287.317	JMOSGBXSDXFFJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028035
O=C(c1noc2c1CCCCC2)N1CC(C1)c1nc[nH]n1	EMOLS-id_319111035	287.317	UIFQOFAAOXGIRF-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-028036
O=C(c1noc2c1CCCCC2)N1CCn2c(C1)ncn2	EMOLS-id_100158153	287.317	VCCZGTFXKSKDCR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-028037
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccccn1	MCULE-5965375007,PC-id_31821742,ZINC22_24444845,EMOLS-id_35694570	287.317	CCMPLSSEXUAAFA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028038
OC(=O)c1cccc(n1)NCc1nnc2n1CCCCC2	PC-id_122052736,EMOLS-id_72810969,MCULE-8475616250	287.317	NJVULTIAWYIRFT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028039
O=[N+]([O-])c1ccccc1NCc1nnc2n1CCCCC2	ZINC22_60551619,EMOLS-id_44491399,PC-id_71944507,MCULE-7387809329	287.317	UCGWWWBNXJKKNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028040
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)n1cnnn1	EMOLS-id_319077958	287.32	PEKBDXPPYDUACA-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-028041
CNc1ccc(cn1)NC(=O)C1CCn2c(CC1)nnn2	EMOLS-id_320333339,MCULE-5770874114	287.32	YHYDMCCKWGCAFV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028042
Nc1nccnc1C(=O)NCc1nnc2n1CCCCC2	MCULE-8741497167,CoCoCo_4639261,PC-id_25488699,ZINC22_12758337,EMOLS-id_18829261	287.32	BEWIWZMASHVJBG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028043
NC(=O)N1CCCn2cnc(CNc3ncccn3)c2C1	PC-id_97405487,EMOLS-id_46182351,ZINC22_96084664	287.32	FGBUWHZZLWFMOW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028044
O=C(C1(CC1)n1cnnn1)N1CCCc2c(C1)cnn2C	EMOLS-id_316176213,MCULE-8586600343	287.32	OUCOUWVPJKFXRU-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-028045
O=C(c1cc2n(n1)CCNCC2)N1CCc2c(C1)n[nH]n2	PC-id_118394510,SCHEMBL17112947	287.32	IFRSQDDGEPCPCS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-028046
O=C(c1nc2n(c1)CCNCC2)N1CCc2c(C1)n[nH]n2	SCHEMBL17112962,PC-id_118394523	287.32	YLJFUIXRHZEXMA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-028047
O=C(C1=NN2CCCN=C2N1)N1CCCc2n[nH]cc2C1	PC-id_137247394,MCULE-9535205314,EMOLS-id_316169815,ZINC22_952894487	287.32	NMAPDIOOHYQMRA-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-028048
O=C(Nc1cccc(n1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102016603	287.32	NIPXWTKPIFSVFV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028049
O=C(Nc1ccc(cn1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102016615	287.32	NNDAJLCNGZFQCW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028050
O=C(NC1CCn2c(CC1)nnn2)NCc1cccnc1	EMOLS-id_319240391	287.32	UVUZFKIEDFCUFA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028051
O=C(Nc1ccnc(c1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102010551	287.32	UDWSMDLGAXXUPK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028052
O=C(Nc1nccc(c1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102016585	287.32	AHFJTDQMGMNBRH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028053
CC1(C)CN(Cc2c(C1)[nH]nc2)CC1(CC1)C(F)(F)F	MCULE-8436778469,EMOLS-id_320091580	287.324	MQGMURVVOZNJTK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-028054
COc1ccc(c(c1)F)Cn1cc2c(c1)CCCCC2=O	PC-id_102877919	287.329	FSAOKWZQDXDTFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028055
COc1cccc(c1F)Cn1cc2c(c1)CCCCC2=O	PC-id_104792917	287.329	PZZHHUUTLOGHTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028056
Fc1cc(Cn2cc3CCCCC(=O)c3c2)ccc1OC	PC-id_83207259	287.329	XGONNVSCQHOQMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028057
c12cnn(C)c1CCCN(C(=O)Cc1ccccc1F)C2	ZINC22_19289648,MCULE-5500690496,EMOLS-id_365256,ART-19177739,PC-id_92566458	287.332	PZHGZOQIFNKGNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028058
c12cnn(C)c1CCCN(C(=O)Cc1cccc(F)c1)C2	EMOLS-id_43237117,ART-19423356,MCULE-7680050914,ZINC22_19289644,PC-id_92566455	287.332	AQHMGEFKYXZEIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028059
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1ccccc1F)n2	ZINC22_95355685,EMOLS-id_46604110,MCULE-5844148009,PC-id_72846937	287.332	OXEZSFAKQCZPIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028060
c1(C(=O)Nc2cccc(F)c2)c2CCCCCCc2[nH]n1	ZINC22_257252874,EMOLS-id_46576599,MCULE-9924554488,BDD-25691826,PC-id_110089445	287.332	JWLSJXKMHVKEGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028061
CC1(C)CNC(=O)c2cn(Cc3ccccc3F)nc2C1	PC-id_139021801,EMOLS-id_320340853,ZINC22_634559584	287.332	XVEACCNUJFLJIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028062
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1C)F	EMOLS-id_318770304	287.332	XJDYFJSHPAVHJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028063
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1C)F	EMOLS-id_320057448,MCULE-2846911859	287.332	ZXTKIOFSPRBHMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028064
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1F)C	EMOLS-id_319159217	287.332	ABHFVNBPMHOJHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028065
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)ccc1F	EMOLS-id_320087764,MCULE-7230061014	287.332	ZOOUMWWMJXPJQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028066
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)cccc1F	MCULE-4489123948,EMOLS-id_320307993	287.332	XKZDKBDWSROPSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028067
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(F)ccc1C	EMOLS-id_320163951,MCULE-7401401754	287.332	OIYQDTARNUXGFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028068
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccccc1F	EMOLS-id_319068110	287.332	DFYXHVMVNQJEJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028069
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cccc(c1)F	EMOLS-id_319326117	287.332	GXVRCYJXSRNNJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028070
Fc1ccccc1CNC(=O)c1n[nH]c2CCCCCc12	MCULE-6479099473,EMOLS-id_323251130	287.332	FLWKJPOXSOBTLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028071
Fc1cccc(CNC(=O)c2n[nH]c3CCCCCc23)c1	MCULE-1239218479,EMOLS-id_323251898	287.332	YTDVSZPYKYZOBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028072
Fc1ccc(CNC(=O)c2c3c(CCCCC3)[nH]n2)cc1	MCULE-1095299658,EMOLS-id_323250878	287.332	DZFKSRUKJKKXFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028073
Fc1ccc(NC(=O)Cn2cc3CCCCCc3n2)cc1	EMOLS-id_16087217,MCULE-3878168762,PC-id_20892439,CoCoCo_2192268	287.332	LSJBCQANVRNNQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028074
OC1=CC=c2c(=CC1)c(c[nH]2)S(=O)(=O)c1ccccc1	PC-id_117731942,SCHEMBL16283113	287.334	TZJATBRXMDIMLR-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-028075
CO[C@H]1CN(C(=O)CS(=O)(=O)C)Cc2ccnn2C1	ZINC22_247545084	287.335	UDLJMSQXOZDLMI-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-028076
CO[C@@H]1CN(C(=O)CS(=O)(=O)C)Cc2ccnn2C1	ZINC22_247545090	287.335	UDLJMSQXOZDLMI-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028077
OC(=O)[C@H](CSCC1CCCCc2n1c(=O)on2)N	SCHEMBL6792565,PC-id_59922995	287.335	FLMBJYBFCINKTH-MQWKRIRWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028078
S(CC1n2c(noc2=O)CCCC1)CC(N)C(=O)O	PC-id_22901397	287.335	FLMBJYBFCINKTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028079
S(=O)(=O)(NCC=C)CC1n2c(noc2=O)CCCC1	PC-id_22901436	287.335	RYVYJXPCMAAELJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028080
Cc1n[pH]c2=CC=CCCC(=c12)OC1CC2CCC1C2	PC-id_91272283	287.336	XYROEEFTVRBNLA-UHFFFAOYSA-N	00000010100010000111000000000110000000000000000000000000	31-01-028081
c12C(=O)NCCCc1nc(NC(=O)c1ccccc1)s2	MCULE-2304590198,EMOLS-id_1497717,CoCoCo_366090,BAS-07338208,SCHEMBL3587041,PC-id_978306,ZINC22_621717,CK1986348	287.337	NNDYLNJPPOWVDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028082
c1(NC(=O)c2ccno2)sc2c(CCCCC2)c1C#N	PC-id_18587256,ZINC22_10253938,MCULE-8098771148,EMOLS-id_5627792,CoCoCo_5191996	287.337	RTOPYRJCLFXOHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028083
Nc1ccc(cn1)C(=O)C1CCCc2c(C1=O)scn2	PC-id_141283472	287.337	PGLATRPMUQJOPT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028084
N#Cc1occ(c1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-1189281255,EMOLS-id_320111579	287.337	KRGUHVIGIXEGRL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028085
c1ccc2-c(cc1)cc(n2)Sc1cc2-c(n1)ccccc2	PC-id_102418861	288.366	NFJPRCCQXXZCHK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028718
CNS(=O)(=O)NCC(=O)N1CCCc2c(C1)c[nH]n2	MCULE-5711075166,EMOLS-id_316185175	287.339	XYYSREAXSGCRCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028086
CS(=O)(=O)NCc1cnc2CCN(CCn12)C(=O)N	EMOLS-id_44328997,ZINC22_96197034,PC-id_97467178	287.339	XTDDUYVKOIWAAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028087
NC(=O)N1CCCn2c(C1)c(nc2)CNS(=O)(=O)C	PC-id_97519531	287.339	YVSOMVBVCZBVDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028088
c1(cn2c(scc2)n1)C(=O)N1CCCn2cncc2C1	ZINC22_91737390,EMOLS-id_44699557,PC-id_70708286,MCULE-9370509906	287.34	MEUKOQQEDDNJQV-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-028089
N#Cc1cnc(s1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_258216778,MCULE-6831351178	287.34	KLIPPYALCKOMBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028090
N#Cc1cn[nH]c1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_319694161	287.34	WEMDSIJLNOEVOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028091
O=C(c1cc2c(s1)[nH]nc2)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319323060	287.34	GDRLYLOOGBQZQG-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-028092
s1c2CCCCCc2c(c1NC(=O)c1[nH]ncn1)C#N	PC-id_80373889	287.34	ONTSRLPFWDSVIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028093
s1c2CCCCCc2c(c1NC(=O)c1n[nH]nc1)C#N	PC-id_80497945	287.34	HBCMOFRWCRYZSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028094
C1CCn2c(CC1)nnc2Sc1nccn2c1nnc2	EMOLS-id_110700681	287.344	CCPVTFCEVKTNOG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-028095
CCCCCCc1ccc2-c1cc(ccc2)OC(=O)NO	SCHEMBL8338500	287.354	HWFGZFYRUWJVEP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028096
O1CCN(Cc2c3-c(oc2=O)cccc(C(C)C)c3)CC1	PC-id_10401798	287.354	UJKRAAOOBAMCSK-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-028097
CC(=O)Nc1cc2-c(c1)ccc(cc2)/C=C/c1ccccc1	PC-id_101588841	287.355	GHWHDXOKIPGMMY-BQYQJAHWSA-N	00000010100000110110000000000010000000000000000000000000	31-01-028098
c12cncn1CCCN(Cc1ccc(c(OCC)c1)O)C2	PC-id_56911792,ZINC22_72166168,EMOLS-id_43164874,MCULE-3317870520	287.357	DKIJKMZNKYWOQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028099
c1(cc(oc1C)C)C(=O)NCc1c2CCCCCc2[nH]n1	MCULE-2093374466,ZINC22_584887338,EMOLS-id_177381693	287.357	PSTKBBQIPOFLBF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028100
c1(C(=O)NCCCc2ccco2)c2CCCCCc2n[nH]1	PC-id_95857374,EMOLS-id_321412,ART-14230882,MCULE-1734714857,ZINC22_72398020	287.357	AZLBVUDJSULKFW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028101
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccoc1C(C)C	EMOLS-id_319574171	287.357	JHFPTBYPSASNKH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028102
Cc1ncn(c1)C(C(=O)N1CCCc2c(C1)cco2)(C)C	MCULE-8140041636,EMOLS-id_258006230	287.357	DOHBUWVRIGPJJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028103
CCCC1N(CCCn2ccnc12)C(=O)c1ccoc1C	EMOLS-id_55717292,MCULE-6077880490	287.357	ZGBFBWCPIDIDHN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028104
CC(C)C1N(CCCn2ccnc12)C(=O)c1ccoc1C	MCULE-9045556012,EMOLS-id_97010620	287.357	KLKFURUFWVEKOE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028105
CCCC1N(CCCn2ccnc12)C(=O)c1occc1C	MCULE-3369603154,EMOLS-id_55717400	287.357	JEGTYMURBZDISW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028106
CC(C)C1N(CCCn2ccnc12)C(=O)c1occc1C	MCULE-7311979463,EMOLS-id_97016768	287.357	KDOREEQGTAZLRW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028107
CCCCn1c(COC(=O)C)nc2c1C=CC(CC2)C#N	PC-id_142258222	287.357	UWWCYZYWLZTFRR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-028108
C=CCOCC1CN(Cc2ccco2)Cc2ccnn2C1	EMOLS-id_46148567	287.357	GVCJSYCKXLBIGL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028109
C=CCOCC1CN(Cc2ccco2)Cc2nccn2C1	EMOLS-id_44325859	287.357	KHQCWFWAGSITTJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028110
C=CCOCC1CN(Cc2ccoc2)Cc2ccnn2C1	EMOLS-id_46148571	287.357	BXPTWANXDRQQQT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028111
C=CCOCc1ncn2c1CN(Cc1ccco1)CCC2	ZINC22_96058988,EMOLS-id_46148273,PC-id_97381644	287.357	VBDIGIFZLNPCHE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028112
C=CCOCc1ncn2c1CN(Cc1ccoc1)CCC2	PC-id_97381646,ZINC22_96058990,EMOLS-id_46148277	287.357	UGVFIMMMAAFXFA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028113
C=CCOC[C@H]1CN(Cc2ccco2)Cc2ccnn2C1	PC-id_97381870,ZINC22_96059217	287.357	GVCJSYCKXLBIGL-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028114
C=CCOC[C@@H]1CN(Cc2ccco2)Cc2ccnn2C1	PC-id_97381871,ZINC22_96059218	287.357	GVCJSYCKXLBIGL-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028115
C=CCOC[C@@H]1CN(Cc2ccco2)Cc2nccn2C1	PC-id_97462278,ZINC22_96187827	287.357	KHQCWFWAGSITTJ-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028116
C=CCOC[C@H]1CN(Cc2ccco2)Cc2nccn2C1	ZINC22_96187826,PC-id_97462277	287.357	KHQCWFWAGSITTJ-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028117
C=CCOC[C@H]1CN(Cc2ccoc2)Cc2ccnn2C1	ZINC22_96059221,PC-id_97381874	287.357	BXPTWANXDRQQQT-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028118
C=CCOC[C@@H]1CN(Cc2ccoc2)Cc2ccnn2C1	ZINC22_96059222,PC-id_97381875	287.357	BXPTWANXDRQQQT-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028119
CC(N(C(=O)Cn1c(=O)nc2-c1ccccc2)C(C)C)C	EMOLS-id_319290457	287.357	WEQWZMKTPFEPID-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-028120
CN1Cc2cccn2C[C@H](CC(=O)NCc2ccco2)C1	ZINC22_585099113	287.357	MTVAOTRLWPGJOW-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028121
CN1Cc2cccn2C[C@@H](CC(=O)NCc2ccco2)C1	ZINC22_585099114	287.357	MTVAOTRLWPGJOW-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028122
CN1CC(CC(=O)NCc2ccco2)Cn2cccc2C1	EMOLS-id_313807406	287.357	MTVAOTRLWPGJOW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028123
CNC1C(=O)N(CCc2c1ocn2)CC1=CC(C=C1)(C)C	PC-id_23554789,SCHEMBL14172401	287.357	WUJBGBUEZZLLIQ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-028124
CNC1C(=O)N(CCc2c1ocn2)CC1=CC=CC1(C)C	SCHEMBL14172402,PC-id_23554813	287.357	FFEJACUIDDMTNH-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-028125
COc1ccccc1CN1Cc2cncn2CCC1CO	EMOLS-id_313815077	287.357	DUBDTDKYZGPVGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028126
COc1ccccc1CN1Cc2cncn2CC[C@H]1CO	ZINC22_585096859	287.357	DUBDTDKYZGPVGI-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028127
COc1ccccc1CN1Cc2cncn2CC[C@@H]1CO	ZINC22_585096864	287.357	DUBDTDKYZGPVGI-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028128
COc1ccc(Cc2nnc3CCCCCn23)cc1OC	EMOLS-id_324837897,MCULE-5267786811	287.357	MOSGNUIHKADTON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028129
COc1cc(C)ccc1OCc1nnc2CCCCCn12	EMOLS-id_337682097,MCULE-1416578935,ZINC22_278720644	287.357	OTVMKDNOKLMNJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028130
COC1CN(Cc2cccnc2OC)Cc2cccn2C1	EMOLS-id_50019378	287.357	KXMWIBPVBRRLEC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028131
COc1ncccc1CN1Cc2cccn2C[C@@H](OC)C1	ZINC22_247841090	287.357	KXMWIBPVBRRLEC-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028132
COc1ncccc1CN1Cc2cccn2C[C@H](OC)C1	ZINC22_247841098	287.357	KXMWIBPVBRRLEC-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028133
O=C(c1nn(c(c1)C)C(C)C)N1CCCc2c(C1)cco2	EMOLS-id_101307912	287.357	QZERWQNBARFYDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028134
O=C(N1CCCc2c(C1)cco2)Cn1ccnc1C(C)C	MCULE-5353116274,EMOLS-id_319859933	287.357	ZPECHZIBCQWZDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028135
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)C1CC1	PC-id_90625629	287.359	QHBBZPRFSRVURV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-028136
c12CN(CCCn1nc(C#N)c2)CC1CCC(=O)N(C)C1	PC-id_139599055,MCULE-3407407195,EMOLS-id_323926400	287.36	XRSPTBRAZGXMIL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-028137
c12CN(CCCn1nc(CO)c2)Cc1cccnc1NC	PC-id_91796310,MCULE-7048627769,EMOLS-id_55707442	287.36	HSRWODACFJDABK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028138
c12nccn1CCCN(C(=O)Cn1ccnc1)C2C(C)C	MCULE-5164683190,EMOLS-id_96054878	287.36	YGUDSGIOHREJFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028139
c12nccn1CCCN(C(=O)Cn1ccnc1C)C2CC	MCULE-3705868605,EMOLS-id_97002620	287.36	ZUEORHZBCHRZHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028140
c1c([C@@H]2CCOC2)nnn1Cc1n[nH]c2c1CCCCC2	ZINC22_91987805,PC-id_97150487	287.36	DXOJMLDCCUQMFO-LLVKDONJSA-N	00000010100000000101100000000010000000000000000000000000	31-01-028141
c1c([C@H]2CCOC2)nnn1Cc1n[nH]c2c1CCCCC2	ZINC22_91987807,PC-id_97150488	287.36	DXOJMLDCCUQMFO-NSHDSACASA-N	00000010100000000101100000000010000000000000000000000000	31-01-028142
C1CCn2c(CC1)ncc2CNc1nnc(o1)C1CCC1	EMOLS-id_318520563,MCULE-5117401588	287.36	ARCCVFORYCCKNB-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-028143
C1CCn2c(CC1)nnc2COC1CCCc2c1n[nH]c2	EMOLS-id_100834650	287.36	BVAGGRZVMUVGFQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-028144
C1CCN=CNc2c(cnn2/C=CC1)C(=O)NCC1CC1	PC-id_137298476,SCHEMBL20016114	287.36	DUFJAWIRIOFNHJ-YWEYNIOJSA-N	00100000100000000111000000000010000000000000000000000000	31-01-028145
c1(Cn2cc(nn2)C2CCOC2)c2CCCCCc2[nH]n1	PC-id_72927460,EMOLS-id_46090203,MCULE-3200989556	287.36	DXOJMLDCCUQMFO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-028146
c1(CN(C)c2ncnc(OC)c2)c2CCCCCc2[nH]n1	EMOLS-id_32416108,PC-id_50973503,ZINC22_67819825,MCULE-1344149607	287.36	BFNDJVZGUOISFA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028147
c1(cnn(C(C)C)c1)C(=O)N1CCCn2nc(C)cc2C1	MCULE-1947688332,ZINC22_77389711,EMOLS-id_43574361,PC-id_70737417	287.36	YYNBCNGQGPDAIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028148
c1(C(=O)Nc2cn(nc2C)CC)c2CCCCCc2[nH]n1	MCULE-6447070386,PC-id_75488765,ZINC22_96223139,EMOLS-id_50402759,EMOLS-id_49245441,STOCK7S-45448	287.36	UXGIHKNJKHOXAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028149
c1(C(=O)NCc2c3CCCCCc3[nH]n2)c(C)ncn1C	ZINC22_584897365,EMOLS-id_177459481,MCULE-9936822409	287.36	VUJJHZJEUBVHGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028150
c1(C(=O)NCc2c(C)n[nH]c2C)c2CCCCCc2n[nH]1	ZINC22_12146876,CoCoCo_468223,CoCoCo_468224,MCULE-9314624611,CoCoCo_468222,CoCoCo_468225,PC-id_46961708,EMOLS-id_30428097,SYN-15346826,EMOLS-id_323255472	287.36	OKLQCEHSSTULHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028151
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O=C(c1n[nH]c2c1CCCCC2)NCCCc1cn[nH]c1	EMOLS-id_320106695,MCULE-7411215955	287.36	FQKASXOKBPXKEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028239
O=C(c1n[nH]c(c1)C(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101670082	287.36	XEHJIFDRGBXIOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028240
O=C([C@@H]1CCCCn2nnnc12)N1C[C@H]2CC=CC[C@H]2C1	PC-id_97941058,ZINC22_97813626	287.36	VLYXTZQDZRWLTB-FRRDWIJNSA-N	00000010100011000101000000000110000000000000000000000000	31-01-028241
O=C([C@H]1CCCCn2nnnc12)N1C[C@H]2CC=CC[C@H]2C1	ZINC22_97813627,PC-id_97941059	287.36	VLYXTZQDZRWLTB-XQQFMLRXSA-N	00000010100011000101000000000110000000000000000000000000	31-01-028242
O[C@@H]1CCc2cnn(Cc3nnc4n3CCCCC4)c2C1	ZINC22_330341308	287.36	ZBYNCQOQEFOQJJ-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-028243
O[C@H]1CCc2cnn(Cc3nnc4n3CCCCC4)c2C1	ZINC22_330341309	287.36	ZBYNCQOQEFOQJJ-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-028244
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Cc1c[nH]nc1	EMOLS-id_319364986	287.36	LTLHGIAYCRWYLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028245
O=C(N1CCCc2c(C1)c[nH]n2)Cn1ccnc1C(C)C	EMOLS-id_316441157,MCULE-3550302175	287.36	LRGFTRDDACXCNB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028246
O=C(N1CCCc2c(C1)cnn2C)CCc1[nH]nc(c1)C	EMOLS-id_319630424	287.36	MYPPQFSEQLBVRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028247
O=C(N1CCCc2c(C1)cnn2C)CC(n1cccn1)C	EMOLS-id_102132031	287.36	YZJIFOGLKSIAMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028248
O=C(N(Cc1n[nH]c(c1)C)C)c1n[nH]c2c1CCCCC2	PC-id_73945369	287.36	ISHZSVCGOMFTLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028249
O=C(NCCCc1nnc2n1CCCCC2)c1cc[nH]c1	MCULE-4845743850,EMOLS-id_316856215,ZINC22_69157301	287.36	URAUZHVKLMHWBI-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028250
CC1N(CCn2c1nnc2)Cc1nnc2n1CCCCC2	EMOLS-id_100457041	287.363	YGZHNSWPMDHFQR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-028251
CC(c1nnnn1C1CC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101742832	287.363	FCPFRAMOPXILPN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-028252
CN(C)c1cc(NCc2cnc3CCNCCn23)ncn1	ZINC22_96197145,EMOLS-id_44329211,PC-id_97467287	287.363	UTLMXMRAZFGLOL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028253
CCNC1CCCCc2c1cn(c2)Cc1cncc(c1)F	PC-id_105571086	287.375	LSRNHWLHLHXONK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028254
CCNC1CCCCc2c1cnn2Cc1ccc(cc1)F	PC-id_107384468	287.375	MXEMNFUADBYTSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028255
CCNC1CCCCc2c1cnn2Cc1cccc(c1)F	PC-id_107384471	287.375	QRPGBYXWLIUKRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028256
COCC(S(=O)(=O)N1CCCc2c(C1)cco2)CC	EMOLS-id_319588990	287.375	XCIUZVQOSDEADN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028257
CCCC(CCC)NC(=O)c1cc2-c(nc([o+]2)C)ccc1	PC-id_137427122	287.377	POLAOIPNQYAYMW-UHFFFAOYSA-O	00000010100000000111000000000010000000000000000000000000	31-01-028258
COc1cccnc1C(=O)c1cc2c(s1)CCCCC2	PC-id_108212272	287.377	YZYBUDQNHJZTIK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028259
COc1cncc(c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_115793489	287.377	MHBVDSMCXKPVLD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028260
O=C(N1CCCCc2c1ccs2)OCc1ccccc1	SCHEMBL19454437	287.377	YCMJTMNCXCLZEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028261
O=C(Nc1ccccc1O)c1cc2c(s1)CCCCC2	ZINC22_16483052,PC-id_24535612,MCULE-4378481779,EMOLS-id_43912403,CoCoCo_3880691	287.377	GXJBQRSLOXGQKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028262
OC(=O)c1cc2c(s1)CCN(CC2)Cc1ccccc1	PC-id_13072042,SCHEMBL11182445	287.377	INDPEJDGMUQEHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028263
OC(=O)c1ccccc1CN1CCCc2c(C1)ccs2	EMOLS-id_318093127,MCULE-2476167579	287.377	MJGLVHUMLCVFBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028264
OC(=O)c1cccc(c1)CN1CCCc2c(C1)ccs2	EMOLS-id_318224737,MCULE-5329485104	287.377	IVZAVGTYYLUCAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028265
OC(=O)c1ccc(cc1)CN1CCCc2c(C1)ccs2	EMOLS-id_318292741,MCULE-2259532466	287.377	HMFHMGADVMRFLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028266
OC(=O)C(N1CCCc2c(C1)ccs2)c1ccccc1	EMOLS-id_318092871,MCULE-4538731707	287.377	JKUSEQAGBAZIPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028267
s1c2CCCCCc2cc1C(=O)Nc1ccc(O)cc1	PC-id_28739635	287.377	HKJCVQVTEZLAQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028268
s1c2CCCCCc2cc1C(=O)Nc1cc(O)ccc1	PC-id_28739937	287.377	IQDSOMLNHXCEIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028269
CC(C)OCc1ncn2c1CN(S(=O)(=O)C)CCC2	PC-id_97381708,ZINC22_96059055,EMOLS-id_46148401	287.378	CVHHWVKIHKBSAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028270
CCCS(=O)(=O)N1Cc2cncn2C[C@H](COC)C1	PC-id_97475579,ZINC22_96207452	287.378	DJDCKKYLEASHCG-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-028271
CCCS(=O)(=O)N1Cc2cncn2C[C@@H](COC)C1	PC-id_97475580,ZINC22_96207453	287.378	DJDCKKYLEASHCG-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028272
CCCS(=O)(=O)N1CC(COC)Cn2cncc2C1	EMOLS-id_49230183	287.378	DJDCKKYLEASHCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028273
CCOC1CN(Cc2cccn2C1)S(=O)(=O)N(C)C	EMOLS-id_50010378	287.378	YJGPLCCNFKFUDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028274
CCO[C@H]1CN(S(=O)(=O)N(C)C)Cc2cccn2C1	ZINC22_247984123	287.378	YJGPLCCNFKFUDM-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028275
CCO[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cccn2C1	ZINC22_247984128	287.378	YJGPLCCNFKFUDM-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028276
CCS(=O)(=O)CCN1Cc2ccnn2C[C@H](OC)C1	ZINC22_253490137	287.378	HPRJNSFORHLSCM-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028277
CCS(=O)(=O)CCN1Cc2ccnn2C[C@@H](OC)C1	ZINC22_253490138	287.378	HPRJNSFORHLSCM-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028278
CCS(=O)(=O)CCN1CC(Cn2nccc2C1)OC	EMOLS-id_50008916	287.378	HPRJNSFORHLSCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028279
COCCCCS(=O)(=O)N1CCCc2n[nH]cc2C1	ZINC22_1775961472,EMOLS-id_316774820,MCULE-9351335271	287.378	CPDCYQZLDYUSJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028280
COCCCS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319899675,MCULE-5566725940	287.378	WXUODJVBNKMACQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028281
COC(CS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	MCULE-2230907965,EMOLS-id_320269495	287.378	LGMJINKMAVHFLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028282
c12cncn1CCCN(Cc1cc(cs1)C#CCO)C2	ZINC22_72131774,EMOLS-id_43074701,PC-id_56886367,MCULE-2618785726	287.38	VTRCHZSVEJBSLR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-028283
c12C(=O)NCCCc1[nH]c(CSc1ccc(cc1)C)n2	EMOLS-id_48637358,ZINC22_95516637,PC-id_72892535,MCULE-9432308022	287.38	HANWRTVQRAIAJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028284
c12C(=O)NCCCc1[nH]c(CSCc1ccccc1)n2	ZINC22_215368769,EMOLS-id_49875454,MCULE-4274265413,PC-id_77083718	287.38	GRKPUKNKNIDZKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028285
c1(cc2c(CCCCCC2)s1)C(=O)Nc1ncccn1	TIMTEC252249,PC-id_1246310,CoCoCo_542076,ZINC22_1054925,MCULE-3997604367,EMOLS-id_2265945	287.38	JXBYLGDAQBTRCU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028286
c1(NC(=O)Nc2ccccc2)sc2c(CCCCC2)n1	MCULE-8050430442,CoCoCo_2552405,EMOLS-id_16329832,PC-id_20966625	287.38	UHMTXSWUGBNZQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028287
Cc1ccc(cn1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110529163,PC-id_46513596	287.38	XTUYNPRUHUTNID-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028288
Cc1cccc(n1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110529186	287.38	OBNJZWUHOXXXJX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028289
Cc1ccc(nc1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318991827	287.38	KRZZKKZEYLIPCL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028290
Cc1ccnc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319539363	287.38	AVMVKOQRRHEJFA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028291
Cc1cncc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319684592	287.38	LAGXSSVFRAKDHA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028292
Cc1cncc(c1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111198085	287.38	XFDJYYNAHSRERK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028293
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccncc1C	MCULE-1043201130,EMOLS-id_320161565	287.38	QEUDALFZSRVFAE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028294
Cc1nc2c(s1)N(CCCC2)C(=O)c1ncccc1C	EMOLS-id_319199459	287.38	TYBPVGRMJGHRLR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028295
Cc1nccc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319951854,MCULE-3601788164	287.38	BHDXUMPJTKJARA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028296
Cc1nccc(c1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111830708	287.38	FYUDXLWASJKSKJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028297
Cc1nccc(n1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_99351289	287.38	ZTWSLOGMBNDQME-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028298
CNC1C(=O)N(CCc2c1scc2)Cc1ccccn1	SCHEMBL14172237,PC-id_23554506	287.38	RIIQDJAJOPIYKE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028299
CNC1C(=O)N(CCc2c1scc2)Cc1cccnc1	SCHEMBL14172235,PC-id_23554518	287.38	LEANTTJMMHIHMG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028300
CNC1C(=O)N(CCc2c1scc2)Cc1ccncc1	SCHEMBL14172238,PC-id_23554534	287.38	HMEVCBATNIXVLB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028301
CNC1C(=O)N(CCc2c1scn2)Cc1ccccc1	PC-id_23554835,SCHEMBL14172291	287.38	RYZCYVGLUUIGJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028302
Nc1ccc(cc1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_119700441	287.38	LBTAFXAGXFUAEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028303
Nc1cccc(c1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_119700461,MCULE-4615283294,EMOLS-id_301281696	287.38	QOLRKVYWZBDNGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028304
Nc1ccc(cn1)NC(=O)c1cc2c(s1)CCCCC2	MCULE-5938721780,EMOLS-id_301276627,PC-id_62900321	287.38	PMOALHXAHXUHDL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028305
N#CCN(CC#N)C(=O)c1cc2c(s1)CCCCCC2	ZINC22_57684092,MCULE-1280082145,PC-id_52467741,EMOLS-id_48768759	287.38	NUCRCXKCAALBDS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028306
NC(=O)c1nc2CCN(Cc3ccccc3)CCc2s1	CHEMBL3553226,EMOLS-id_44303958,PC-id_97442519,ZINC22_96146995	287.38	GBVIDBXFULRYKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028307
O=c1n2CCCCCc2nn1C[NH+](Cc1ccccc1)C	PC-id_29899426	287.38	ACDGQFAENOCQER-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-028308
O=C(c1cc2c(s1)CCCCC2)Nc1ccnnc1C	EMOLS-id_99473356	287.38	UHRUCIKKMKOUHZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028309
O=C(c1cc2c(s1)CCCCC2)Nc1ncccc1N	PC-id_104253975	287.38	DRKOHVBITZXMNW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028310
O=C(c1ccccc1)CSc1nnc2n1CCCCC2	CoCoCo_5902029,PC-id_33780003	287.38	MEDRGYOSJBYSIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028311
O=C(c1ccccc1N)Nc1nc2c(s1)CCCCC2	MCULE-2404273804,EMOLS-id_301288886,PC-id_119944112	287.38	HMKDNLWEEIGDRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028312
O=Cc1cc(C)ccc1Sc1nnc2n1CCCCC2	PC-id_108221738	287.38	YPJCPADZOWJKFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028313
O=C(c1ccccn1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644757	287.38	FVQSEMYLZPMGKK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028314
O=C(c1cccnc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644751	287.38	HADASJDUWNTJNU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028315
O=C(c1ccncc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644748	287.38	QUQXYVXNHXFPSB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028316
O=C(c1ncccc1C)Nc1nc2c(s1)CCCCC2	EMOLS-id_111707626	287.38	LZJMIMVZYSDUCN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028317
O=C(c1sc2c(c1)CCCCCC2)Nc1cncnc1	EMOLS-id_99818875	287.38	LEAXHKKFICHKNC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028318
O=C(c1sc2c(c1)CCCCCC2)Nc1nccnc1	EMOLS-id_110778452	287.38	QIAQISYNAFTYEY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028319
O/C(=CSc1nnc2n1CCCCC2)/c1ccccc1	CoCoCo_5902030,CoCoCo_5902033	287.38	FHTLRTGBZPPVTH-QBFSEMIESA-N	00000000100000110101000000000010000000000000000000000000	31-01-028320
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccccc1	CoCoCo_5902031,CoCoCo_5902032	287.38	FHTLRTGBZPPVTH-ACCUITESSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028321
O=C(N1CCCc2c(C1)ccs2)CNc1ccccn1	MCULE-7894517919,EMOLS-id_318702578	287.38	USNHGKSRFUKBHK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028322
O=C(N1CCCCc2c1ccs2)CNc1ccccn1	EMOLS-id_318489423,MCULE-2736934057	287.38	HQHDJBIGUYNVIA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028323
O=C(NCc1ccccc1)c1nc2CCNCCc2s1	EMOLS-id_44303834,ZINC22_96146933,PC-id_97442457	287.38	SMCDOVANZKRRDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028324
s1c2CCCCCc2cc1C(=O)Nc1c(N)cncc1	PC-id_63063457	287.38	YGHUHARRSXMVBG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028325
s1c2CCCCCc2cc1C(=O)Nc1ncc(N)cc1	PC-id_43327227	287.38	IWNDAMCYPYNOGN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028326
s1c2CCCCCc2c(c1NC(=O)CNCC#C)C#N	PC-id_78908675	287.38	URUFAXOFQQPYSM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028327
s1c2CCCCCc2c(c1NC(=O)C(N)CC#C)C#N	PC-id_81776172	287.38	GPMOXLXCJSMRFL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028328
s1c2c(CCCCC2)c(c1N)C(=O)Nc1ncccc1	PC-id_76332149	287.38	FNVLKGWRMNTDKR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028329
s1c2c(nc1Nc1ccccc1)CC(CNC2=O)(C)C	PC-id_625508	287.38	KSXYVJOFJTXOEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028330
s1c2n(cc(n2)Cn2cc3C(O)CCCCc3c2)cc1	PC-id_83210591	287.38	VCWGQNVQZSVLGP-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-028331
S(c1n2CCCCCc2nn1)c1ccc(cc1)C(=O)C	PC-id_28414893	287.38	FMYQEVZLTRUJLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028332
S(c1n2CCCCCc2nn1)c1c(cccc1)C(=O)C	PC-id_28414894	287.38	ZJKUASTZJWFGMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028333
S(c1n2CCCCCc2nn1)c1cc(c(cc1)C=O)C	PC-id_63803534	287.38	MRAKEPJSAUWHEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028334
S(c1n2CCCCCc2nn1)c1c(cc(cc1)C=O)C	PC-id_63803880	287.38	UOHLDQZHZXYQSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028335
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCNCCn12	MCULE-2405834545,EMOLS-id_68906771,PC-id_118759690	287.382	KTPZTUIEOLAQLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028336
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCNCC2	ZINC22_299785587	287.382	KTPZTUIEOLAQLW-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-028337
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCNCC2	ZINC22_299785590	287.382	KTPZTUIEOLAQLW-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028338
c12CN(CCCn1nc(C#N)c2)Cc1csc(CC)n1	ZINC22_670450467,MCULE-4588527617,EMOLS-id_222767484	287.383	PWDRYYWDPBFWKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028339
c12sccn1c(c(C)n2)CN1CCCn2cncc2C1	EMOLS-id_43072909,MCULE-5413788017,PC-id_56885938,ZINC22_72130660	287.383	WSEGMHRQSBEHKG-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-028340
Cc1[nH+]c(C)nc(c1)N(Cc1nnc2n1CCCCC2)C	GD-id_ZINC48250978	287.383	QXNTVBIZUNINAF-UHFFFAOYSA-O	00000000100000100101000000000010000000000000000000000000	31-01-028341
N#Cc1ccc(s1)CNCc1nnc2n1CCCCC2	MCULE-1862727552,EMOLS-id_318582325	287.383	JQWRJEOFWRSIBM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-028342
N#Cc1csc(c1)CNCc1nnc2n1CCCCC2	MCULE-2442830798,EMOLS-id_318552779	287.383	VLGLZSXJTMBHKU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-028343
S(c1n2CCCCCc2nn1)c1ccc(cc1)C(=N)N	PC-id_28410473	287.383	XCUXWDXJSRQNEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028344
S(c1n2CCCCCc2nn1)c1c(cccc1)C(=N)N	PC-id_28601997	287.383	BTEKSEMSWWNYOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028345
c12c(OCC)cccc(=O)c1c(n(CCCCC)c2C)C	CHEMBL1384972,MCULE-5619188399,ChEMBL-DNDi_CHEMBL1384972,CoCoCo_1811372,EMOLS-id_15930118,PC-id_3149364	287.397	SDWPXJUXCLOURP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-028346
CN=C/C=C(/C=C/C=C/C=C/c1cc2-c(c1)ccccc2)C	PC-id_101142352	287.398	NPIGECTVRHJNGV-FFKVCBDLSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028347
CN=C/C=C(/C=C/C=C/C=C/c1ccc2-c1ccccc2)C	PC-id_101142350	287.398	SYQSNHARSPSHEU-XAURFUODSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028348
CN(S(=O)(=O)C)C1=Cc2ccsc2C(CO1)(C)C	PC-id_102306226	287.398	FINXDXSMNLSSAA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-028349
CS(=O)(=O)CCC(=O)N1CCCc2sccc2C1	PC-id_84583670,EMOLS-id_316825892,ZINC22_95393146,MCULE-2462361899	287.398	QJYROYMVYVKFSG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028350
O=C(c1sc2c(c1)CCCCCC2)NS(=O)(=O)C	EMOLS-id_111942457	287.398	VUWXQUFQNZVYMP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028351
c1(C(=O)NCCC2=CCCCC2)c2CCCCCc2[nH]n1	MCULE-7186127597,EMOLS-id_323249846	287.4	BFRQNBKHZDLVPB-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-028352
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(C1CC1)C1CC1	EMOLS-id_319466709	287.4	JXACKBWFSUGCSO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-028353
o1nc(cc1Cn1cc2C(NCCC)CCCCc2c1)C	PC-id_83211779	287.4	VGRVENNYQUKNBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028354
o1nc(c(Cn2cc3C(NCC)CCCCc3c2)c1C)C	PC-id_83210945	287.4	QQNBVEUYZMMDOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028355
o1nc(Cn2cc3C(NCCC)CCCCc3c2)cc1C	PC-id_83210626	287.4	CHCOZQOZYHDQTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028356
OC1c2c(CCCC1)cn(c2)Cc1n(nc(c1)CC)CC	PC-id_83210928	287.4	HLOWWWWHAOSAQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028357
OC1c2c(CCCC1)cn(c2)Cc1nn(C(CC)C)cc1	PC-id_83210772	287.4	YNJLLGBUGZIOED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028358
O=C(N1CCCc2c(C1)cnn2C)C1CCC(=C(C1)C)C	EMOLS-id_102946151	287.4	SLSZABYTQLSWBI-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-028359
c1(CN(C)CCc2nccn2C)c2CCCCCc2[nH]n1	MCULE-8631635840,ZINC22_1506427506,EMOLS-id_316237404	287.403	NESSEOHHJWXWPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028360
Cc1cc(CN(C)Cc2[nH]nc3c2CCCCC3)nn1C	CoCoCo_1378268,CoCoCo_1378265,CoCoCo_1378266,CoCoCo_1378267,MCULE-8658079921,PC-id_28078570,EMOLS-id_23818710,ZINC22_19146628	287.403	FKMQKPLCOJRYLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028361
CC1CN(Cc2cnn(c2)C(C)(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_318768556	287.403	JCUFKTPZIOIOHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028362
Cc1nc(CN(C)Cc2n[nH]c3c2CCCCC3)cn1C	ZINC22_1857702711,PC-id_145943093,MCULE-7904345691,EMOLS-id_323996027	287.403	AOMAXTPCPDYRJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028363
CC(CCn1cccn1)NCc1n[nH]c2CCCCCc12	EMOLS-id_32432650,MCULE-4039751966,PC-id_50982298	287.403	ARCJOAPWPZDIEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028364
CCCNC1CCCCc2c1cn(c2)Cc1nnn(c1)C	PC-id_107045599	287.403	OMLTWXYTSFOPSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028365
C[C@@H](CCn1cccn1)NCc1n[nH]c2c1CCCCC2	PC-id_95228333,ZINC22_67955962	287.403	ARCJOAPWPZDIEK-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028366
C[C@H](CCn1cccn1)NCc1n[nH]c2c1CCCCC2	ZINC22_67955963,PC-id_95228334	287.403	ARCJOAPWPZDIEK-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028367
CCn1cnc(c1)CN1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319800021	287.403	HGFCWDRMVWSVKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028368
n12CCCCCc1nnc2C(NCc1cn(cc1)CC)C	PC-id_66416521	287.403	MXQJCLMKYBURKJ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028369
n12CCCCCc1nnc2C(NCc1n(CC)ccc1)C	PC-id_66411559	287.403	LNEGKIXZFUFDFP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028370
n1(cc2C(N)CCCCc2c1)Cc1n(ncn1)CC(C)C	PC-id_83211124	287.403	JKXZPOJXZZTNME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028371
n1(cc2C(NC)CCCCc2c1)Cc1n(ncn1)CCC	PC-id_83210030	287.403	OSDBNDDPGJPMMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028372
n1(cc2C(NC)CCCCc2c1)Cc1n(ncn1)C(C)C	PC-id_83210031	287.403	QSFSAROEZJWKGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028373
n1(cc2C(NCC)CCCCc2c1)Cc1n(c(nn1)C)C	PC-id_83211548	287.403	NIDXMGWMHPHQQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028374
n1(cc2C(NCC)CCCCc2c1)Cc1n(ncn1)CC	PC-id_83210614	287.403	OKIJICHUWGIHCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028375
N(C1CCCCc2c1cn(c2)Cc1n(cnn1)C)CCC	PC-id_83210059	287.403	YZKGWPJBDRPKON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028376
N(C1CCCCc2c1cn(c2)Cc1n(ncn1)C)CCC	PC-id_83209672	287.403	SJMXUUJHIANZQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028377
N#CC1CCC(C1)NC(c1nnc2n1CCCCC2)CC	EMOLS-id_101099717	287.403	QCZWENTZGSJJHZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-028378
CC(c1ccc(c2-c(c1)c(C)cc2[CH+]c1ccccc1)C)C	PC-id_101171603	287.418	STBUPQRMLCSOFY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-028379
CC(c1ccc(c2-c(c1)c(C)cc2[CH-]c1ccccc1)C)C	PC-id_102159080	287.418	POKDEFYOLNVGTP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-028380
C#CCN(C(=O)c1cc2c(s1)CCCCC2)CC1CC1	PC-id_115532428	287.42	GCHPGBMEWONXJE-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-028381
COc1cccc(c1)C(c1cc2c(s1)CCCCC2)N	PC-id_115785974	287.42	GFQBIWCBUFTNSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028382
COc1ccccc1C(c1cc2c(s1)CCCCC2)N	PC-id_115793383	287.42	MPPKBEJYONSJDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028383
s1c2c(CCCCC2)cc1C(N)c1ccc(OC)cc1	PC-id_43463975	287.42	YYQCPDXVESAFSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028384
s1c2CCCCCc2cc1C(=O)c1[nH]c(c(c1C)C)C	PC-id_63927060	287.42	BBBWUOLPFDYZFF-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-028385
s1c2c(CCCCC2)cc1C(O)C(c1ccncc1)C	PC-id_66460684	287.42	NCBTWICSDZYXKX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028386
s1c2c(CCCCC2)cc1C(O)Cc1ncccc1C	PC-id_66459696	287.42	NMOFZVIGBWRKSC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028387
s1c2c(CCCCC2)cc1C(O)Cc1ncc(cc1)C	PC-id_66460124	287.42	RYQSYOFOANWTGZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028388
s1c2c(CCCCC2)cc1C(O)C(C)c1ncccc1	PC-id_66461511	287.42	CTRWOUVVNMXUOY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028389
S(CCn1cc2C(O)CCCCc2c1)c1ccccc1	PC-id_83208232	287.42	KSOJNYTWRLFGFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028391
CSc1c2c(c(s1)SC(=O)N)CCCCC2=O	SCHEMBL7464492,PC-id_88147331	287.421	XZESBXJCOSLXIS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028392
c1(C#N)c2CCCCCc2sc1N=CN1CCCCC1	PC-id_741876,MCULE-8188731501	287.423	NGFTWYFGERSWNQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-028393
CC/C(=N/N=C(/SC1=Cc2[nH]ccc2C=CCC1)C)/C	PC-id_143519257	287.423	RTRMEPFBOYNPOA-BDTYQMQHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-028394
CCNC(c1cc2c(s1)CCCCC2)c1cnccn1	PC-id_115860276	287.423	JQQNNPDGHBTNFH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028395
CCNC(c1cc2c(s1)CCCCC2)c1cncnc1	PC-id_115826853	287.423	AYRWYPYLCYYAFH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028396
N#Cc1c(/N=CN2CCCCC2)sc2c1CCCCC2	CoCoCo_1767841	287.423	NGFTWYFGERSWNQ-PDGQHHTCSA-N	00000000100010000100000000000010000000000000000000000000	31-01-028397
N#Cc1c(/N=C/N2CCCCC2)sc2c1CCCCC2	ZINC22_180772,PC-id_9615765,EMOLS-id_26276078,STOCK2S-47766,TIMTEC330493,CoCoCo_1767840	287.423	NGFTWYFGERSWNQ-LDADJPATSA-N	00000000100010000100000000000010000000000000000000000000	31-01-028398
NNC(c1cc2c(s1)CCCCC2)c1ccc(nc1)C	PC-id_105305415	287.423	ABDJMAYKHNCVFT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028399
NNC(c1cc2c(s1)CCCCC2)Cc1ccccn1	PC-id_105315249	287.423	ONTABQXWAVHGMU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028400
NNC(c1cc2c(s1)CCCCC2)Cc1cccnc1	PC-id_105333627	287.423	QUYXODMHRMRODE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028401
NNC(c1cc2c(s1)CCCCC2)Cc1ccncc1	PC-id_105317437	287.423	FWMDBLRSILDQFP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028402
NNC(c1cnccc1C)c1cc2c(s1)CCCCC2	PC-id_105320479	287.423	VHSWBRKWWVXBIB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028403
NNC(c1cncc(c1)C)c1cc2c(s1)CCCCC2	PC-id_105328478	287.423	VILVVZPRRTYQOM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028404
s1c2CCN(CCc2nc1N)CCCc1ccccc1	PC-id_19985927	287.423	FJKXEUVAPGIYOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028405
NC(c1cc2c(s1)CCCCC2)CCS(=O)(=O)C	PC-id_115848671	287.441	KUNQIMHFNJNGRB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028406
CNC1CCCCc2c1cn(c2)CCCCC(C#N)(C)C	PC-id_106713584	287.443	CHRCVQPLTWMUPG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028407
n1(cc2C(NCC)CCCCc2c1)CCCC(C)(C)C#N	PC-id_83211157	287.443	USTSJEHZPFARSG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028408
n1(cc2C(NCCC)CCCCc2c1)CCC(C)(C)C#N	PC-id_83209286	287.443	NLVAXLIBYJVHAQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028409
s1nc2SSSSSc2c1C(=O)O	PC-id_13479576	287.446	UQLZKVIXZWXGDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028410
ClC(Cl)(Cl)C(=O)c1c2-c(c(c1)C)ccccc2	PC-id_86252813	287.569	NYFLJFRNNMPGBO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028411
ClC(Cl)(Cl)C(=O)c1c2-c(cc1C)ccccc2	PC-id_86252815	287.569	PWAMWJMFBVVBCB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028412
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CCCCl	PC-id_90625318	287.766	KOQPDAZKAVFOIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028413
Cc1ccc(c(c1)Cl)Cn1cc2c(c1)CCCCC2=O	PC-id_106865806	287.784	GOOUXSXSLMDFQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028414
Cl/C=C(\n1nnc2c1CCCCCC2)/c1ccccc1	PC-id_101516800,7111647_OpenMolecule,CT-id_7111647	287.787	WJSCSJZEHGODST-VBKFSLOCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028415
CSc1nc2=CCN=C(N=c2s1)CC(C=O)Cl	PC-id_121275247,SCHEMBL17677312	287.789	FSHAEXYRWXBWHK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-028416
Clc1nsnc1Sc1n2CCCCCc2nn1	PC-id_43427064	287.792	RKQKACTYOJQGHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028417
CCOC(=O)N1CCc2c(CC1)c(c(s2)Cl)CC	PC-id_143164821	287.806	PZKAIIZDAXPWAB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028418
Clc1cc2c(s1)CCN(CC2)C(=O)OC(C)(C)C	SCHEMBL3004109,PC-id_57354993	287.806	IHJLHMIJWYWBCD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028419
CN1CCC(c2c(S1)ccn2CCCCCl)N=O	PC-id_91283467	287.809	GZSLNULHMTZGKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028420
CN1CC/C(=NO)/c2c(S1)ccn2CCCCCl	PC-id_139804322	287.809	YYNYHLTXNCPSET-GXDHUFHOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028421
ClCCCCCCSc1n2CCCCCc2nn1	EMOLS-id_314175923,PC-id_62229126	287.852	NERFZODFNDYBCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028422
ClCCC(CCSc1n2CCCCCc2nn1)C	EMOLS-id_314689014,PC-id_65666648	287.852	CUPHTAALQDBRED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028423
Clc1n(CC)c2SSSSSc2c1	PC-id_11680822	287.897	PABCCTANPWITIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028424
ICC1(C)C=Cc2c(C=C1)non2	SCHEMBL19620853	288.085	RAWHJUIYUKBYTF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-028425
C[I]1C=C(C)C=c2c(=C1)nc([nH]2)C	PC-id_143261911	288.128	RQQMFMHQIZDXGW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-028426
CCOC(=O)Cn1cnc2=C(Cl)CC=C(N=c12)Cl	PC-id_144485368	288.13	KGUAAMKRIMMLEV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-028427
BrCc1c(c2-c(c1C#N)ccccc2)C(=O)C	PC-id_11312255	288.139	SXIJVKIPTKUKMY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028428
BrCC(=O)c1c2-c(c(c1C)C#N)ccccc2	PC-id_86216989	288.139	KXIGTNWRBIGXKI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028429
COCCN1CCc2cc(nn2CC1=O)Br	SCHEMBL20518023,PC-id_135343639	288.141	WGSWMOLUPZRSEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028430
COC(=O)C1CCc2nnc(CBr)n2CC1	MCULE-7318349718,EMOLS-id_277308888	288.141	MWKCNRIMMXOGRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028431
CC(=O)N1CCc2c(C(=O)C1)csc2Br	PC-id_97767018	288.161	WHGRVXYYYJFSAM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028432
BrCCCN1C(=O)CCCc2c1ccs2	EMOLS-id_262283813	288.204	SBTYPFYRINVCEM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028433
BrC(=C)CSc1nnc2n1CCCCC2	EMOLS-id_107245071	288.207	IUPRMWWHNQONEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028434
CC1CN(CCC2CC2(Cl)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_318774172	288.216	ZMTRBJLHYVMQIG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-028435
COC(=O)c1cc2-c(c1)cc(cc(c2)C(=O)OC)C(=O)O	PC-id_139786359	288.252	QUUAIQPIFZDXJI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028436
FC(F)(F)CNC(=O)Cn1cc2CCCCC(=O)c2c1	PC-id_83206148	288.266	OVRXNWRZKNCNGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028437
COC(=O)c1sc(c2c1OCC(CO2)O)C(=O)OC	SCHEMBL6206660,PC-id_11709035	288.274	MWKUPAUNASTOMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028438
[Na+].c12c(n(cn1)CCCCCC(=O)[O-])NC=NCC2O	CHEMBL37028	288.278	IARXKSDEVISTRQ-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-028439
c1(NC(=O)C(F)(F)F)sc2c(CCCCC2)c1C#N	ZINC22_4837437,PC-id_3751300,EMOLS-id_4396798,MCULE-4304085246,STOCK1S-57404	288.289	OJBFEJPFDPPTIL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028440
N#Cc1cc(CN2CCCc3c(C2)cco3)c(cc1F)F	EMOLS-id_319008100	288.292	FDYRMYPOBINEGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028441
CCOc1c(C(=O)OC)c2-c(c1C(=O)OC)ccccc2	PC-id_141346796	288.295	XMEAUKGRCRYNFA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028442
CCOC(=O)c1c(OC)c(c2-c1ccccc2)C(=O)OC	PC-id_141346773	288.295	VTYRGPFSWRCQIS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028443
O(c1c2-c(c(c(c2)CC(=O)OC)C(=O)OC)cccc1)C	PC-id_14972962	288.295	MFYWZKNVOPMJKG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028444
O(c1c2-c(c(c(c2C)C(=O)OC)C(=O)OC)cccc1)C	PC-id_85657443	288.295	YMIKMAIVFSZUCZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028445
Oc1c(c2-c(c1C(=O)OCC)ccccc2)C(=O)OCC	PC-id_12458732	288.295	SMBLZBIWJWFQMD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028446
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(O)cc2)CC	PC-id_11415003	288.295	JYQXGJYZNXYQGL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028447
OS(=O)(=O)c1cc(c2-c1ccccc2)S(=O)(=O)O	PC-id_22003097,SCHEMBL7788575	288.297	FRJCSXWHUBXLBB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028448
COc1c[nH]c(cc1=O)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319684916	288.299	QAPSRRXUNJJRND-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028449
O=C(c1noc2c1CCCCC2)Nc1ccc(c(c1)O)O	EMOLS-id_320210851,MCULE-3128731913	288.299	DPEFSCJYLJSIRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028450
c1ccc2-c(c(c(=O)[nH]2)C=C2c3ccccc3NC2=O)cc1	PC-id_87504796,SCHEMBL3284764	288.3	UJZZJRNPHVGHCK-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-028451
O=C1Nc2c(/C/1=Cc1c(=O)[nH]c3-c1ccccc3)cccc2	SCHEMBL13324612	288.3	UJZZJRNPHVGHCK-GXDHUFHOSA-N	00000010100000100110000000001010000000000000000000000000	31-01-028452
O=C1Nc2c(/C/1=C/c1c(=O)[nH]c3-c1ccccc3)cccc2	SCHEMBL3284761	288.3	UJZZJRNPHVGHCK-UVTDQMKNSA-N	00000010100000100110000000001010000000000000000000000000	31-01-028453
COc1ccccc1C(=O)N1CCc2n[nH]c(=O)n2CC1	EMOLS-id_239628696,MCULE-6996948695	288.302	UWVMTHXKUCWYOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028454
COc1ccnc(O)c1C(=O)N1CCCc2n[nH]cc2C1	ZINC22_952891887,MCULE-3150520640,EMOLS-id_316186454	288.302	KBEAZWLCUHRDPG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028455
COC(=O)c1ccc([nH]1)C(=O)N1CCCc2c(C1)c[nH]n2	MCULE-3242520028,EMOLS-id_316185431	288.302	BPOCESVREXARKF-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028456
n12CCCCCc1nnc2CNC(=O)C(=O)c1ccco1	ZINC22_219319286,MCULE-1227183362,PC-id_90648887,EMOLS-id_50531515	288.302	XYQLUJGQAUCHOO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028457
n12CCCCCc1nnc2COc1ccc(cc1)N(=O)=O	MCULE-3283736674,CoCoCo_5791612,EMOLS-id_1099479,PC-id_719734,ZINC22_120396	288.302	DZXDCQWISSAHAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028458
n1c2CCCCCn2nc1COc1ccc(cc1)N(=O)=O	PC-id_16458514,ZINC22_28527149,CoCoCo_6600619,MCULE-2152794006	288.302	CDCHPUOYXCTHMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028459
O1CCN(CCn2c1nc([N+](=O)[O-])c2)Cc1ccccc1	SCHEMBL14965773,PC-id_71569324	288.302	WINMIFZVWZZVBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028460
O=c1n2CCCCCc2nn1Cc1ncc(cc1)C(=O)O	PC-id_80148866	288.302	WRKTYVAXUDXQPS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028461
O=C(c1noc2c1CCCCC2)Nc1ccn(c(=O)n1)C	MCULE-3025392643,EMOLS-id_320271957	288.302	WUHGSHNCJHDKEW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028462
O=C(c1noc2c1CCCCC2)Nc1nccn(c1=O)C	EMOLS-id_111948562	288.302	FRVYYBIQUAMNST-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028463
OC(=O)c1cccc(n1)Cn1nc2n(c1=O)CCCCC2	PC-id_106903667	288.302	AJJGIXPLACYJPV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028464
c12nnnn1CCCCC2C(=O)N1CCc2c(con2)C1	EMOLS-id_177438617,MCULE-8520848992	288.305	MRVPVDZVFGEKHA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-028465
Cc1nc(O)cc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102180954	288.305	CPMOXXWGSRQOHA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028466
COCC1CN(Cc2n(C1)ncn2)C(=O)c1ccnnc1	PC-id_118739435	288.305	FBMSWNPYLTWRLZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028467
COCc1nnn2c1CN(C(=O)c1ccnnc1)CCC2	EMOLS-id_46181675,PC-id_97405161,ZINC22_96084334	288.305	XNOIWPFSCRALRO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028468
n12CCN(CCc1n[nH]c2=O)C(=O)c1cc([nH]n1)C1CC1	MCULE-5722146933,PC-id_91910711,EMOLS-id_50590121	288.305	VAMHZYPGZMYNMI-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-028469
NC(=O)N1CC(Cn2c(C1)ncc2)Cn1ncccc1=O	PC-id_118739350	288.305	CFRPVQBLGBXIHQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028470
O=C1Nc2c(C)cn(c2CCC1NC(=O)c1nnc[nH]1)C	SCHEMBL19031697	288.305	FDNZGGCHGVRWMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028471
O=C(c1ccnnc1)NCC1COCc2n(C1)nnc2C	PC-id_118739430	288.305	KSAXRQFKNAYZHN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028472
O=C(c1cncc(c1O)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102180978	288.305	BNOYTAPIFIGLIY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028473
O=C(c1cnc(o1)C1CC1)NC1CCn2c(CC1)nnn2	MCULE-9503297686,EMOLS-id_320014226	288.305	WZCCLQJIAWJQNQ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-028474
O=C([C@H]1CCCCn2nnnc12)N1CCc2nocc2C1	ZINC22_584894673	288.305	MRVPVDZVFGEKHA-JTQLQIEISA-N	00000000100010000101000000010010000000000000000000000000	31-01-028475
O=C([C@@H]1CCCCn2nnnc12)N1CCc2nocc2C1	ZINC22_584894674	288.305	MRVPVDZVFGEKHA-SNVBAGLBSA-N	00000000100010000101000000010010000000000000000000000000	31-01-028476
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccnnc1	ZINC22_1645835842	288.305	DKBNIOHLTPGSRH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028477
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cncnc1	ZINC22_1875261023,PC-id_146126833	288.305	JUMLKSZSQUYRJA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028478
O=C(NCc1n2CCCCCc2nn1)C1N=NC(=O)C=C1	PC-id_75133179	288.305	OJHVBHKUYSBCAK-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-028479
O=C(NCc1nnc2n1CCCCC2)c1ccc(=O)[nH]n1	CoCoCo_4625731,MCULE-3697582119,ZINC22_40489048,PC-id_45805014,EMOLS-id_31875416	288.305	YYVAWDNKDDWCGT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028480
OC(=O)c1ncc(nc1)NCc1nnc2n1CCCCC2	MCULE-9774716750,EMOLS-id_72810971,PC-id_122052737	288.305	XVTGBURGSNKHIN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028481
O=C1c2n(CCCCCc3n[nH]nn3)cnc2NC=NC1	PC-id_10637078	288.308	WUASWRDAQHUQLJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-028482
O=C1c2ncn(CCCCCc3n[nH]nn3)c2NC=NC1	PC-id_10708479	288.308	LBKPSPVXYXHGKQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-028483
O=C(c1nc2n(n1)CCNCC2)N1CCc2c(C1)nn[nH]2	SCHEMBL18372208	288.308	VMPAXHYSZUJPAJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-028484
[SeH]=c1sc2SCOCSc2s1	PC-id_13902534	288.313	CKRRPHWOROHADX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028485
c1(c2CCCCCc2on1)C(=O)N(C)c1ccccc1F	PC-id_20923872,CoCoCo_2401427,EMOLS-id_16234845,MCULE-2356385407	288.317	SROTVVSJWUIFLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028486
c1(C(=O)Nc2ccc(c(F)c2)C)c2CCCCCc2on1	PC-id_17254361,ZINC22_20395527,GD-id_ZINC20395527,EMOLS-id_21980653,TIMTEC66695,MCULE-8809516667	288.317	AYIUBFOPSATWLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028487
c1(C(=O)NCc2ccc(cc2)F)c2CCCCCc2on1	ChEMBL-DNDi_CHEMBL1608314,ZINC22_426544,EMOLS-id_6684443,STOCK7S-00054,PC-id_3240961,MCULE-8512056680	288.317	JSMADQHZSMCFFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028488
CCOC(=O)c1c(N)c(c2-c1ccc(cc2)[2H])C(=O)OCC	PC-id_101072535	288.317	FKLMJXLPXBUJDE-UICOGKGYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028489
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCC(C2)F	SCHEMBL7670133,PC-id_70158438	288.317	RCQTYMXRLLEKHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028490
Fc1cccc(c1)CC1CCCCc2c1[nH]nc2C(=O)O	PC-id_142780139	288.317	SZTCUAUVSKCZBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028491
Fc1ccc(cc1)CC1CCCCc2c1[nH]nc2C(=O)O	PC-id_66647633,SCHEMBL300675	288.317	ZPASZYMEYVMELI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028492
Fc1ccc(cc1)Cn1nc(c2c1CCCCC2)C(=O)O	SCHEMBL4218086,PC-id_68960531	288.317	GVWGKXQWKIKJCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028493
NC(=O)C(N1CCCc2c(C1)cco2)c1ccc(cc1)F	EMOLS-id_318760464	288.317	KLUFHBUKAJHAKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028494
Cc1ccc(c(c1)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319845218	288.32	AWURYWAZXNUWHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028495
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(N)cccc1F	EMOLS-id_319047685	288.32	PABBUFDWOQZVJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028496
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cn1)F	MCULE-8944632708,EMOLS-id_319898119	288.32	KLKAEWQODPTRDI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028497
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ncccc1F	EMOLS-id_318988905	288.32	JGIPEEYPEIFUGV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028498
CCOC(=O)c1n(C)cc2c1CC(O)CNS2(=O)=O	PC-id_140762639	288.32	XLDSRRKEZJHLNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028499
Fc1cccc(c1)CC(=O)N1CCn2c(CC1)nnc2C	PC-id_42246175,CoCoCo_1122509,SCHEMBL16100581	288.32	BOVCJDKFJQDTHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028500
Fc1ccc(cc1)C(=O)NCc1nnc2n1CCCCC2	CoCoCo_4625708,PC-id_25658646	288.32	QEXDXDWRCRNOOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028501
Fc1ccc(cc1)N(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319738612	288.32	BHJSSVJROZQOIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028502
Fc1cccc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845909	288.32	AMYHLRQAFLPBFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028503
Fc1ccc(cc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101847133	288.32	ZJLDLTFIRMHQEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028504
Fc1cncc(c1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_316616333	288.32	AMJXEHYNUFCWNM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028505
Nc1cccc(c1C(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_320058486,MCULE-6010104672	288.32	ZDVGBOPXRYIHMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028506
O=C(C1CCn2c(CC1)nnc2)Nc1c(C)cccc1F	EMOLS-id_316535949	288.32	INLPGFAHSIQCII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028507
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1F	EMOLS-id_101847154	288.32	CEKHPSYHODMRPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028508
O=C(NCc1nnc2n1CCCCC2)c1cccc(F)c1	MCULE-5424946398,ZINC22_57554136,PC-id_45836459,EMOLS-id_31875408	288.32	WOTVWKFWULSIBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028509
c12C(=O)NCCCc1nc(NC(=O)c1ccccn1)s2	PC-id_72719986,ZINC22_96124390,MCULE-4596640196,EMOLS-id_48619032	288.325	KFDRLHNGLMQWJT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028510
c12C(=O)NCCCc1nc(NC(=O)c1cccnc1)s2	ZINC22_96124389,PC-id_72719984,MCULE-9074405453,EMOLS-id_48619030	288.325	XKTOEYHDZQBXES-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028511
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccncc1	PC-id_90625452	288.325	IIPQIVCAWUVNFD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028512
N#Cc1ccc(s1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182550	288.328	TUQBYEPAOCBFDH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-028513
N#Cc1csc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182517	288.328	KPTQKAADJUYPCN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-028514
s1c2CCCCCc2c(c1NC(=O)c1n[nH]nn1)C#N	PC-id_80373809	288.328	UQJXAIHAMRHHJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028515
c1cc2nnnn2nc1Sc1nnc2n1CCCCC2	PC-id_17565127,ZINC22_14160747,EMOLS-id_13491269,MCULE-2728268167,CoCoCo_4471904	288.332	RFMZKJFEGSZWBD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-028516
O(C1C(CC(=O)c2c(occ2C)CC(=C)C=C1)C)C(=O)C	PC-id_76463644	288.338	HZCCFFLDLJBUFF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-028517
O([C@@H]1[C@H](CC(=O)c2c(occ2C)CC(=C)/C=C/1)C)C(=O)C	PC-id_56935772	288.338	HZCCFFLDLJBUFF-XFPBEJNWSA-N	00000000100000000110000000000010000000000000000000000000	31-01-028518
CC(c1cccc2-c(c1)c(C#Cc1ccccc1)c(=O)o2)C	PC-id_102264194	288.34	LTCSLRQYGRPDMA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-028519
O=C(c1c(C)c(c2-c1ccccc2)C(=O)C)c1ccccc1	PC-id_139771654	288.34	ZOAXFTRFUHMYSH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-028520
O(C(=O)c1c2-c(cc1C=Cc1ccccc1)ccccc2)C	PC-id_86004776	288.34	LTWNYNLVMQXQFC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-028521
C#CC1(O)CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_278476248	288.342	WXLVPLLWAVIVNM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-028522
CCOC1CN(Cc2cccn2C1)C(=O)c1occc1C	EMOLS-id_55748809	288.342	MUKRNLKLUDAUJG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028523
CCOC1CN(Cc2cccn2C1)C(=O)Cc1ccco1	EMOLS-id_50010376	288.342	KDLPIPVGPXRUSJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028524
CCO[C@@H]1CN(C(=O)c2occc2C)Cc2cccn2C1	ZINC22_575404231	288.342	MUKRNLKLUDAUJG-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028525
CCO[C@H]1CN(C(=O)c2occc2C)Cc2cccn2C1	ZINC22_575404235	288.342	MUKRNLKLUDAUJG-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028526
CCO[C@@H]1CN(C(=O)Cc2ccco2)Cc2cccn2C1	ZINC22_253383042	288.342	KDLPIPVGPXRUSJ-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028527
CCO[C@H]1CN(C(=O)Cc2ccco2)Cc2cccn2C1	ZINC22_253383043	288.342	KDLPIPVGPXRUSJ-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028528
FC[C@@H]1C[C@H]1CS(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319957141,MCULE-9262127893	288.342	ZWVSNJGKBMIDMV-UWVGGRQHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-028529
O=C1CC2CCC(C1)N2C(=O)c1noc2c1CCCCC2	EMOLS-id_111671270	288.342	KHRVDMDYIFHPHS-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-028530
N#Cc1cc(cc(c1)F)Sc1nnc2n1CCCCC2	PC-id_102818350	288.343	RUPLKXXMJLDGNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028531
N#Cc1c(F)cccc1Sc1nnc2n1CCCCC2	MCULE-2692085132,EMOLS-id_49290552,PC-id_51284290,ZINC22_71814400	288.343	CUIWWDQXOPYQQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028532
O=C(c1c2-c(c(/N=N/c3ccc(cc3)C)c1)ccccc2)C	PC-id_12098653	288.343	OHHZLQMXJRUHKV-QZQOTICOSA-N	00000010100000110110000000000010000000000000000000000000	31-01-028533
S(c1n2CCCCCc2nn1)c1c(cc(F)cc1)C#N	PC-id_63669737	288.343	FTWGIGZVYHSBLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028534
S(c1n2CCCCCc2nn1)c1c(F)cc(cc1)C#N	PC-id_43657548	288.343	IVJBREQGVWZJRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028535
c12CN(CCCn1nc(CO)c2)Cc1cccnc1OC	PC-id_91784351,MCULE-2514348094,EMOLS-id_55672421	288.345	SWZPEHZTLDBOQA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028536
c12CN(CCCn1nc(CO)c2)Cc1c(O)ccc(C)n1	PC-id_91763031,MCULE-3746700053,EMOLS-id_55611313	288.345	FYCMGKGSVRNQAG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028537
c1(C(=CC2COC(C)(C)O2)C#N)nnc2CCCCCn12	MCULE-9635129496	288.345	DVAYXFVUVCYXFX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-028538
c1(cnoc1C)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_221297799,EMOLS-id_50544361,MCULE-1412942204,PC-id_90652369	288.345	ILIGHUVXQYXDED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028539
c1(C(=O)NCc2c3CCCCCc3[nH]n2)oc(nc1C)C	MCULE-8423115916,ZINC22_584901205,EMOLS-id_177489205	288.345	OJSLUOXVZOOVLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028540
c1(C(=O)N(C)Cc2ccoc2)cc2n(CCCN(C)C2)n1	PC-id_50963572,MCULE-7768711532,ZINC22_65404595,EMOLS-id_32397410	288.345	OVLRPGRXYFWWTN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028541
c1(C(=O)OC)n2CCCCCc2c(C#N)c1N=CN(C)C	MCULE-2621366559	288.345	MWPJJDLUEAGQME-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028542
c1(onc(CC(C)C)c1)C(=O)N1CCCn2cncc2C1	ZINC22_91270388,EMOLS-id_44701537,PC-id_70711545,MCULE-4691258856	288.345	FTTXCMAMPCZEDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028543
Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)o1	ZINC22_29900419	288.345	CVVICQUECUOPNE-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028544
Cc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)o1	ZINC22_29900421	288.345	CVVICQUECUOPNE-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-028545
Cc1ccc(o1)C(=O)NC(c1nnc2n1CCCCC2)C	PC-id_53505355,EMOLS-id_35699512,MCULE-5386044176	288.345	CVVICQUECUOPNE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028546
Cc1cc(C(=O)NCc2nnc3n2CCCCC3)c(C)o1	ZINC22_57531749,PC-id_24249629,MCULE-2645178950,EMOLS-id_31875414	288.345	GDDXJUHKDUYJIA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028547
Cc1c(CNC(=O)c2c3c(CCCCC3)[nH]n2)c(C)on1	MCULE-1652189516,EMOLS-id_323249850	288.345	QEZJOZZRMHAJJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028548
Cc1cc(NC(=O)CN2CCCc3occc3C2)n(C)n1	ZINC22_288916975,MCULE-3007926319,EMOLS-id_177244188	288.345	UQYRSOUKIPPVIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028549
Cc1ccoc1C(=O)N[C@@H](C)c1nnc2n1CCCCC2	PC-id_94555513,ZINC22_54536955	288.345	KYPRYJOVVKGRCD-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-028550
Cc1ccoc1C(=O)N[C@H](C)c1nnc2n1CCCCC2	PC-id_94555514,ZINC22_54536957	288.345	KYPRYJOVVKGRCD-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028551
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnoc1C(C)C	EMOLS-id_319133916	288.345	DCDOYZIQIHOLLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028552
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1conc1C(C)C	EMOLS-id_319253874	288.345	AJVSHLJBPDMMJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028553
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1noc(c1)C(C)C	EMOLS-id_319538478	288.345	WFHUBHSWZXDFGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028554
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1onc(c1)C(C)C	EMOLS-id_318841787	288.345	WFPMFEUHDHKNAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028555
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1noc(c1)C	EMOLS-id_320182636,MCULE-9773621075	288.345	AGOMFNSERYBOIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028556
CC1CN(CC(=O)NCc2ccco2)Cc2c(C1)[nH]nc2	EMOLS-id_320096069,MCULE-7501384377	288.345	QQURMEWLZXFZRG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028557
Cc1cnn(CCNC(=O)N2CCCc3occc3C2)c1	MCULE-9401232729,EMOLS-id_316849384,ZINC22_291083382	288.345	UFXFJJHZOQNKRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028558
Cc1conc1C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_316669528	288.345	ZZVSGGQQOWJGBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028559
Cc1ncc(o1)CCNC(=O)c1cnc2n1CCCCC2	MCULE-7285310188,EMOLS-id_320018222	288.345	QORNRRBEKNIRGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028560
Cc1ncc(o1)CCNC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319289245	288.345	ACCSWXRRPDFQGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028561
Cc1[nH]c(c(n1)CNC(=O)c1noc2c1CCCCC2)C	EMOLS-id_319324115	288.345	DRJITNKKAFFBSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028562
Cc1n[nH]c(C)c1NC(=O)CN1CCCc2occc2C1	MCULE-4216911957,ZINC22_288718632,EMOLS-id_316839369	288.345	FTDGFYIUZIDDCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028563
CCc1ccc(C(=O)NCc2nnc3n2CCCCC3)o1	ZINC22_40511001,CoCoCo_4835513,PC-id_45813485,EMOLS-id_31902736,MCULE-6300596513	288.345	QMGRLPGGJMWQOP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028564
CCC1N(CCCn2c1ncc2)C(=O)c1c(C)noc1C	MCULE-9689851313,EMOLS-id_55717376	288.345	HFIXGKOFAYMOCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028565
CCc1nc(c(o1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101678327	288.345	FVMVPUXKSXWKFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028566
CCc1nc(c(o1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	MCULE-9737858564,EMOLS-id_320197776	288.345	IUOLRDZFWZKTKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028567
CCc1noc(c1C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101669287	288.345	XCCGQBZGHBREFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028568
CCc1noc(c1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319872554	288.345	HBSAMSZUUYWVNF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028569
CCc1onc(c1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316726574	288.345	NAHHRGRPSSWWTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028570
CCCC1N(CCCn2ccnc12)C(=O)c1cc(C)no1	EMOLS-id_55717402,MCULE-8227187677	288.345	YWHNWJJWYWWENI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028571
CC(C)C1N(CCCn2ccnc12)C(=O)c1coc(C)n1	MCULE-8486006590,EMOLS-id_97006388	288.345	JQNNLJCLCUUJAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028572
CC(C)C1N(CCCn2ccnc12)C(=O)c1conc1C	EMOLS-id_97022914,MCULE-9116808761	288.345	SIFXEDAJIYFKME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028573
CCCC1N(CCCn2ccnc12)C(=O)c1conc1C	MCULE-2540664265,EMOLS-id_55717410	288.345	IUPNQTSAJIHZPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028574
CCCC1N(CCCn2ccnc12)C(=O)c1ocnc1C	EMOLS-id_97006405,MCULE-8915613730	288.345	JGBODXFKRCMBLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028575
CCCc1occ(n1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845282	288.345	RQYWIVUNPMKDEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028576
CCCc1occ(n1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319404241	288.345	MEEMDSCZDMNZPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028577
CCCc1onc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678372	288.345	SSBSBVQDOLSIKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028578
CCCc1onc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319235963	288.345	FEGSTDUECFBLRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028579
CCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccoc1	MCULE-4650724300,EMOLS-id_319825369	288.345	SDINIJLVRRHMFE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028580
CC(NC(=O)c1noc2c1CCCCC2)Cn1cccn1	EMOLS-id_100932210	288.345	ADUGYEXNLYGITO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028581
CCOc1ccccc1CN1CCc2n[nH]c(=O)n2CC1	MCULE-4239958941,EMOLS-id_49731295,PC-id_110197864	288.345	VUIVFMDSGOOBNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028582
CCOC1CN(Cc2cccn2C1)C(=O)c1cnn(C)c1	EMOLS-id_50010566	288.345	VCATZJVNYWEPQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028583
CCOCC1CN(Cc2ccnn2C1)C(=O)c1ccc[nH]1	EMOLS-id_44326867	288.345	ZJAFIVKJYXIWEE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028584
CCOC[C@@H]1CN(C(=O)c2ccc[nH]2)Cc2ccnn2C1	PC-id_97463364,ZINC22_96188943	288.345	ZJAFIVKJYXIWEE-GFCCVEGCSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028585
CCOC[C@H]1CN(C(=O)c2ccc[nH]2)Cc2ccnn2C1	ZINC22_96188942,PC-id_97463363	288.345	ZJAFIVKJYXIWEE-LBPRGKRZSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028586
CCO[C@@H]1CN(C(=O)c2cnn(C)c2)Cc2cccn2C1	ZINC22_248153725	288.345	VCATZJVNYWEPQW-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028587
CCO[C@H]1CN(C(=O)c2cnn(C)c2)Cc2cccn2C1	ZINC22_248154250	288.345	VCATZJVNYWEPQW-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028588
Cn1ccc(CCNC(=O)N2CCCc3occc3C2)n1	EMOLS-id_316853997,ZINC22_570894869,MCULE-8134855307	288.345	VLQOZPLYOAGLLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028589
Cn1cc(CCOC(=O)c2n[nH]c3c2CCCCC3)cn1	EMOLS-id_49977626,ZINC22_195578982,PC-id_86819083,MCULE-7147264873	288.345	FWWBNHZZSGYOMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028590
Cn1ccc(n1)CCNC(=O)c1noc2c1CCCCC2	EMOLS-id_100151240	288.345	CEVLSITZBPVSAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028591
Cn1ccc(n1)C(NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_101519727	288.345	XZSGDFPLWFBZNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028592
Cn1ncc(c1)CN(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_100923054	288.345	JOVYKHABBKSLRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028593
CN(C)Cc1cnc2CCN(CCn12)C(=O)c1ccco1	ZINC22_96067867,PC-id_97390173,EMOLS-id_46161771	288.345	VJXIJGIPMGZHSN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028594
CN(C)CC1CN(Cc2nccn2C1)C(=O)c1ccco1	EMOLS-id_46148533	288.345	CYRZPFXQZHNPMZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028595
CN(C)C[C@@H]1CN(C(=O)c2ccco2)Cc2nccn2C1	PC-id_97381837,ZINC22_96059184	288.345	CYRZPFXQZHNPMZ-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028596
CN(C)C[C@H]1CN(C(=O)c2ccco2)Cc2nccn2C1	ZINC22_96059183,PC-id_97381836	288.345	CYRZPFXQZHNPMZ-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028597
CN(C)C(=O)C1CN(Cc2ccoc2)Cc2ccnn2C1	EMOLS-id_46160809	288.345	HDHDRKLYXBWDEZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028598
CN(C)C(=O)[C@@H]1CN(Cc2ccoc2)Cc2ccnn2C1	PC-id_97389498,ZINC22_96067179	288.345	HDHDRKLYXBWDEZ-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028599
CN(C)C(=O)[C@H]1CN(Cc2ccoc2)Cc2ccnn2C1	ZINC22_96067178,PC-id_97389497	288.345	HDHDRKLYXBWDEZ-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028600
COc1cccc(CN2CCCn3nnc(CO)c3C2)c1	ZINC22_2055718076,EMOLS-id_313734108	288.345	FOLOZQYSAKWOOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028601
COc1nn(C)c2c1CCCN(C(=O)c1cccn1C)C2	ZINC22_96254436,EMOLS-id_44366590,PC-id_97515487	288.345	ZZOFEMJYXZGDKB-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028602
COCC1CCn2nccc2CN1C(=O)c1cccn1C	EMOLS-id_313821477	288.345	HCMVLEYVBRYEDO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028603
COCC1CN(Cc2nccn2C1)C(=O)c1cccn1C	EMOLS-id_46148439,PC-id_118741172	288.345	LLYODMBVVNRCRJ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028604
COC[C@H]1CCn2nccc2CN1C(=O)c1cccn1C	ZINC22_585097065	288.345	HCMVLEYVBRYEDO-CYBMUJFWSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028605
COC[C@@H]1CCn2nccc2CN1C(=O)c1cccn1C	ZINC22_585097068	288.345	HCMVLEYVBRYEDO-ZDUSSCGKSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028606
COC[C@@H]1CN(C(=O)c2cccn2C)Cc2nccn2C1	ZINC22_96059089,PC-id_97381742	288.345	LLYODMBVVNRCRJ-LBPRGKRZSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028607
COC[C@H]1CN(C(=O)c2cccn2C)Cc2nccn2C1	ZINC22_96059090,PC-id_97381743	288.345	LLYODMBVVNRCRJ-GFCCVEGCSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028608
COC(=O)c1c(/N=C/N(C)C)c(C#N)c2CCCCCn12	PC-id_2834659,ChEMBL-DNDi_CHEMBL5219758,EMOLS-id_25845238,ZINC22_16134135,CoCoCo_604923	288.345	MWPJJDLUEAGQME-LICLKQGHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028609
COC(=O)c1n2CCCCCc2c(c1/N=CN(C)C)C#N	CoCoCo_604924	288.345	MWPJJDLUEAGQME-YVLHZVERSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028610
N#C/C(=CC1COC(O1)(C)C)/c1nnc2n1CCCCC2	PC-id_146025191	288.345	DVAYXFVUVCYXFX-DHZHZOJOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-028611
N#CCN1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111931039	288.345	UAFDAKLSEWTXPM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-028612
o1c(c(C(=O)NCCc2n3CCCCCc3nn2)cc1)C	PC-id_52371660	288.345	JXOPWFXTJJWZII-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028613
o1c(C(=O)NC(c2n3CCCCCc3nn2)C)c(cc1)C	EMOLS-id_35688594,MCULE-7320522265,PC-id_53503422	288.345	KYPRYJOVVKGRCD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028614
o1c(C(=O)NCCc2n3CCCCCc3nn2)c(cc1)C	PC-id_51307497	288.345	JXEYPSMJDQZOAK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028615
o1c(C(=O)NCCc2n3CCCCCc3nn2)ccc1C	PC-id_52181413	288.345	SCJRKTMDQLLEHL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028616
Oc1cc(CC(N)c2n3CCCCCc3nn2)ccc1O	PC-id_61072080	288.345	RPWARPRYELDBHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028617
O=c1n(CC2CC2)nc2CCN(Cc3ccco3)CCn12	PC-id_91922467,EMOLS-id_50590053,MCULE-1267680015	288.345	LGHSZUSKZXLSAB-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-028618
O=C1NCC(Cc2c1cn(n2)Cc1c(C)noc1C)(C)C	MCULE-6561635423,EMOLS-id_316458791	288.345	SZERYKQURWZVKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028619
O=C1NCC(Cc2c1cn(n2)Cc1oc(c(n1)C)C)(C)C	EMOLS-id_318330753	288.345	NEDUDVBKPOWQNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028620
O=C(c1conc1C)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_316665945	288.345	JYLQRXACRCDLJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028621
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O=C(c1noc2c1CCCCC2)NCCCc1cn[nH]c1	MCULE-5659646994,EMOLS-id_320270088	288.345	IWAWOQPMCHRYRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028625
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O=C(c1onc(c1)C(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101671484	288.345	QJMFXFNZWDHPMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028627
O=C(Cc1ccoc1)NCCc1nnc2n1CCCCC2	PC-id_136532391,EMOLS-id_316875796,MCULE-4605491348,ZINC22_119649755	288.345	YVSQJUWHNXOOAZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028628
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O=C(N1CCCc2c(C1)cnn2C)NCCc1ccco1	EMOLS-id_318360137	288.345	KXLSAUFCXUKHJI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028632
O=C(OCCCn1cccn1)c1n[nH]c2c1CCCCC2	PC-id_86819145,EMOLS-id_49977834,MCULE-2631431888,ZINC22_195579024	288.345	CZLBIYQXDOSNLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028633
c12CCN(CCc1[nH][nH]c2=O)Cc1cc2n(CCNC2)n1	ZINC22_72152542,PC-id_56895206,EMOLS-id_43111019,MCULE-1428350975	288.348	ZZZCUWSLGVAOOO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-028634
c1(C(=O)NC(C)c2[nH]cc(C)n2)nnc2CCCCCn12	MCULE-3333170242,EMOLS-id_177361550,PC-id_122556313	288.348	LAEZHCCCFXBINN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028635
Cc1ccc(CNC(=O)[C@@H]2CCc3nnnn3CC2)n1C	ZINC22_1647558616	288.348	KLUFIQLWKYZJSI-LLVKDONJSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028636
Cc1ccc(CNC(=O)[C@H]2CCc3nnnn3CC2)n1C	ZINC22_1647558618	288.348	KLUFIQLWKYZJSI-NSHDSACASA-N	00000000110000000101000000000010000000000000000000000000	31-01-028637
Cc1c(C(=O)NCc2nnc3n2CCCCC3)cnn1C	PC-id_71899505,EMOLS-id_45744331,MCULE-9978507174,ZINC22_41820753	288.348	XJWYIHANRVESAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028638
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1cnn(n1)C	EMOLS-id_319107328	288.348	HXOJSRCGYDNBAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028639
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCn1cncn1	EMOLS-id_320297306,MCULE-7081092783	288.348	YHDKGFBJHIROAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028640
Cc1cnc([C@H](C)NC(=O)c2nnc3n2CCCCC3)[nH]1	ZINC22_534577176	288.348	LAEZHCCCFXBINN-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-028641
Cc1cnc([C@@H](C)NC(=O)c2nnc3n2CCCCC3)[nH]1	ZINC22_534577177	288.348	LAEZHCCCFXBINN-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028642
CCc1cnc(NCC2COCc3c(C)nnn3C2)nc1	EMOLS-id_44332551	288.348	QOYNFFBIJKNTBE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028643
CCc1cnc(NC[C@H]2COCc3c(C)nnn3C2)nc1	PC-id_97469392,ZINC22_96199319	288.348	QOYNFFBIJKNTBE-GFCCVEGCSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028644
CCc1cnc(NC[C@@H]2COCc3c(C)nnn3C2)nc1	ZINC22_96199320,PC-id_97469393	288.348	QOYNFFBIJKNTBE-LBPRGKRZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028645
CC(C)c1nnc(NC(=O)c2n[nH]c3c2CCCCC3)[nH]1	EMOLS-id_50358791,MCULE-1595489988,PC-id_91652233,ZINC22_170609083	288.348	VKAJIYUBEBRDDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028646
CC(C(C(=O)N1CCCc2c(C1)c[nH]n2)n1cnnc1)C	EMOLS-id_318922336	288.348	FGYPTYVFKJHEBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028647
CC(C)N1CCc2nnc(COc3cncnc3)n2CC1	CHEMBL3551696,ZINC22_96259207,PC-id_97519292	288.348	MQZDTFDHPVRYAL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028648
C[C@H](C(=O)NCc1nnc2n1CCCCC2)n1cccn1	PC-id_94004251,ZINC22_44679809	288.348	PULMSNUSNBQFCI-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028649
C[C@@H](C(=O)NCc1nnc2n1CCCCC2)n1cccn1	ZINC22_44679807,PC-id_94004250	288.348	PULMSNUSNBQFCI-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-028650
C[C@H](NC(=O)Cn1cccn1)c1nnc2n1CCCCC2	PC-id_95133988,ZINC22_65443359	288.348	LOPFJSLRHKNBAC-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-028651
C[C@@H](NC(=O)Cn1cccn1)c1nnc2n1CCCCC2	ZINC22_65443362,PC-id_95133989	288.348	LOPFJSLRHKNBAC-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028652
CC(n1cccn1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_35695768,MCULE-7290219264,PC-id_53499865	288.348	PULMSNUSNBQFCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028653
CCn1nc(c(n1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319588623	288.348	ZQLVKUCAVBGJEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028654
CN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1	PC-id_97467220,EMOLS-id_44329077,ZINC22_96197076	288.348	RYZJUTYELPQDPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028655
CN1CCc2ncc(CNC(=O)c3nccn3C)n2CC1	EMOLS-id_44329091,PC-id_97467228,ZINC22_96197084	288.348	DNJKBMQSMURYDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028656
Cn1ccc(c1)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320086370,MCULE-6135106966	288.348	ZKKKDEHJNPPMLR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028657
CN(C)Cc1cnc2CCN(CCn12)C(=O)c1cc[nH]n1	ZINC22_1565552086,EMOLS-id_313783957	288.348	JMBKMGHPKGTJOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028658
COc1cc(NCc2cnc3n2CCN(C)CC3)ncn1	ZINC22_96197101,PC-id_97467244	288.348	BZFZQOJVWSIIRY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028659
n1c(CNC(=O)CCn2cncn2)c2c(CCCCC2)[nH]1	MCULE-2333680642,ZINC22_584900861,EMOLS-id_177486601	288.348	AAUHMCNUALFBQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028660
N#CC1CCCC1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319369959	288.348	RGALRQWUFAPIOL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-028661
OC1(CCC1)c1ncn(n1)Cc1nnc2n1CCCCC2	EMOLS-id_319830413,MCULE-6537000201	288.348	JNCKQIFEORVTRF-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-028662
O=C(C1CCn2c(CC1)nnn2)NCc1ccc(n1C)C	EMOLS-id_317027868,MCULE-1619794107	288.348	KLUFIQLWKYZJSI-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028663
O=C(c1cnc2n1CCCCC2)NC(c1[nH]cnn1)(C)C	MCULE-4790898814,EMOLS-id_320182465	288.348	MZBNZEGJCBCVEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028664
O=C(c1cnc2n1CCCCC2)NC(c1nn[nH]c1)(C)C	EMOLS-id_278375847	288.348	VCXYNQVJIVYCOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028665
O=C(c1nc[nH]c1C)NCCc1nnc2n1CCCCC2	EMOLS-id_320042744,MCULE-7842129192	288.348	UWYDWPPDLOJZTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028666
OC(c1ncn(n1)Cc1nnc2n1CCCCC2)C1CC1	EMOLS-id_318894369	288.348	GQASNRCMJMCIEC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-028667
O=C(c1n[nH]c2c1CCCCC2)NC(c1[nH]cnn1)(C)C	MCULE-8369450446,EMOLS-id_319961614	288.348	BJQQFPMHRQNQKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028668
O=C(c1n[nH]c2c1CCCCC2)NC(c1nn[nH]c1)(C)C	EMOLS-id_316730778	288.348	QDSUPOLSVHKYRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028669
O=C(CCn1cccn1)NCc1nnc2n1CCCCC2	EMOLS-id_35706042,MCULE-2246532816,ZINC22_42483164,PC-id_53520131	288.348	JWKGQMPDAJUMGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028670
OCCN1CCCn2cnc(CNc3ncccn3)c2C1	EMOLS-id_46182399,PC-id_97405511,ZINC22_96084688	288.348	RAIFEYOAPUTAMV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028671
O=C(N1CCCc2c(C1)cnn2C)NCc1cncn1C	EMOLS-id_319337190	288.348	DZINBNZIQZKLFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028672
O=C(N1CCCn2c(C1)cc(n2)N)NCCn1cccc1	EMOLS-id_320222619,MCULE-3359342528	288.348	ODSKTYLSOBMSMN-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-028673
O=C(NCc1cn(nc1)CC)c1n2CCCCCc2nn1	PC-id_56708373	288.348	AJPZFKJQPSQSJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028674
O=C(NC(c1n2CCCCCc2nn1)C)c1c([nH]nc1)C	PC-id_63998019	288.348	LMRDGWMRWPDDIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028675
O=C(NC(c1n2CCCCCc2nn1)C)Cn1nccc1	EMOLS-id_35706090,MCULE-9341786192,PC-id_53505257	288.348	LOPFJSLRHKNBAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028676
OC(=O)c1sc(c2c1OC[Si](CO2)(C)C)C(=O)O	SCHEMBL4240972,PC-id_68970879	288.349	DLZRJKUOWIQELQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028677
FC(F)(F)CCCn1cc2C(NCC)CCCCc2c1	PC-id_83207896	288.352	VTDLHJMHGYIOHH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028678
FC(F)(F)CCn1cc2C(NCCC)CCCCc2c1	PC-id_83213164	288.352	CYDLTSCWWRJMID-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028679
CCN1CCCCc2c1sc(c2)C(=O)NCC(F)F	MCULE-8515497096,EMOLS-id_97021628	288.357	QBVDRGVQCZOULS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028680
NCC(CNC(=O)c1cc2c(s1)CCCCC2)(F)F	MCULE-5297932716,PC-id_114383615,EMOLS-id_302307136	288.357	VPUZUHYGBUVHDR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028681
COc1ccc(c(c1)F)Cn1cc2c(c1)CCCCC2N	PC-id_102878057	288.36	NQWAMHMAJJVFNP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028682
COc1cccc(c1F)Cn1cc2c(c1)CCCCC2N	PC-id_104792980	288.36	XKFLGHRPFWRUGG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028683
Fc1cc(Cn2cc3C(N)CCCCc3c2)ccc1OC	PC-id_83211509	288.36	QSASZDCGULNCAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028684
S(CCc1c2-c(c(c1)C(=O)OC)ccccc2)C(=O)C	PC-id_85570915	288.361	SCBAFAHOKVOBQH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028685
Cc1cccc(c1CNCc1nnc2n1CCCCC2)F	MCULE-4812484893,EMOLS-id_318544474	288.363	ORMKHTXUJIXFGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028686
Cc1ccc(c(c1)F)CNCc1nnc2n1CCCCC2	EMOLS-id_318196709,MCULE-1733574696	288.363	JMKBFBUEWABZDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028687
CCc1cc(ccc1F)NCc1nnc2n1CCCCC2	EMOLS-id_318096909,MCULE-1074420758	288.363	UUEQUSPIJJDDAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028688
CC(c1ccccc1F)NCc1nnc2n1CCCCC2	EMOLS-id_318291645,MCULE-8549784185	288.363	MMGUUHIIDGFZRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028689
Fc1ccc(cc1)[C@@H](NCc1nnc2n1CCCCC2)C	EMOLS-id_318567575,MCULE-9358856540	288.363	OTFSEXRMEMILQA-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028690
Fc1cccc(c1)C(NCc1nnc2n1CCCCC2)C	MCULE-4614626970,EMOLS-id_318290876	288.363	KDEFXHBFJNQRSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028691
Fc1ccc(cc1)C(NCc1nnc2n1CCCCC2)C	MCULE-6769998790,EMOLS-id_318248498	288.363	OTFSEXRMEMILQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028692
Fc1ccc(CNC(c2n3CCCCCc3nn2)C)cc1	PC-id_43426015	288.363	JRFMLKHILZRJII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028693
Fc1cc(CNC(c2n3CCCCCc3nn2)C)ccc1	PC-id_43426000	288.363	GOKSDPWASWAIHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028694
Fc1c(CNC(c2n3CCCCCc3nn2)C)cccc1	PC-id_43426005	288.363	RSEJCVZJLDYLBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028695
Fc1c(CNCc2nnc3n2CCCCC3)cccc1C	MCULE-1185820987,EMOLS-id_318072311	288.363	GBLLEWREUZCXNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028696
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccccc1O	EMOLS-id_319764983	288.365	BYSFBIFMKPYJNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028697
CN1C(=O)c2c(nc(COc3ccccc3)s2)CCC1	SCHEMBL2014039,PC-id_53247097,MCULE-2126630182	288.365	YLPUVZWUHDFHCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028698
COc1nccnc1C(=O)c1cc2c(s1)CCCCC2	PC-id_115797162	288.365	SDOSOJNWUMKELS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028699
Oc1ccc(cc1)NC(=O)N1CCCCc2c1ccs2	PC-id_69221138,SCHEMBL4863182	288.365	XNCIDXZEQASIBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028700
O=C(/C=C/c1ccco1)Nc1nc2c(s1)CCCCC2	CoCoCo_4546031,EMOLS-id_45609104,PC-id_26157883,ZINC22_14554142	288.365	UQIBRQLQFOTCOF-CMDGGOBGSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028701
O=C(C=Cc1occc1)Nc1sc2c(CCCCC2)n1	PC-id_72058582,MCULE-7393215888,EMOLS-id_26229681	288.365	UQIBRQLQFOTCOF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028702
O=C(Nc1c[nH]ccc1=O)c1cc2c(s1)CCCCC2	PC-id_47176314,MCULE-7964932016,ZINC22_48597555,EMOLS-id_33347539	288.365	ISWXFAVXXXXVLB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028703
O=C(Nc1nc2c(s1)CCCCC2)/C=Cc1ccco1	CoCoCo_4546032	288.365	UQIBRQLQFOTCOF-HJWRWDBZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028704
O=C(O)c1cccc(CN2CCCc3sccc3C2)n1	ZINC22_902235116,MCULE-5905831898,EMOLS-id_318378611	288.365	UAMKYDYALBTZKO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028705
OC(=O)c1ccc(nc1)CN1CCCc2c(C1)ccs2	EMOLS-id_318500190,MCULE-1995758723	288.365	CNNASEAYGXKKOY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028706
O=C(O)c1cccnc1CN1CCCc2sccc2C1	PC-id_146076358,ZINC22_652410987,MCULE-9086641668,EMOLS-id_318373350	288.365	PWJCTAZATITYPR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028707
OC(=O)c1cncc(c1)CN1CCCc2c(C1)ccs2	MCULE-8110326902,EMOLS-id_318538246	288.365	CJEHFJUEQYIGCJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028708
OC(=O)C(N1CCCc2c(C1)ccs2)c1cccnc1	EMOLS-id_318154241,MCULE-7844384306	288.365	XYZRTUYPJWGDPK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028709
[O-][N+](=O)c1ccc(cc1)CN1CCCCc2c1ccs2	SCHEMBL19454419	288.365	JVFDEUCBHCFISD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028710
s1c2CCCCCc2cc1C(=O)Nc1ncccc1O	PC-id_18109461	288.365	XSKXVOAOVNGFLS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028711
s1c2CCCCCc2cc1C(=O)NN=Cc1occc1	PC-id_78620813	288.365	BWMXEDWIUPJXEK-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-028712
s1c2c(CCCCC2)c(c1N=Cc1occc1)C(=O)N	PC-id_23763490	288.365	AAIWWAFBEKBWMM-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-028713
s1c2CCCCCc2nc1NC(=O)c1c(O)cccc1	PC-id_46699136	288.365	SUHBVTJWAKRVPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028714
s1c2CCCC(=O)N(c2cc1)CC(=O)c1cn(cc1)C	PC-id_63749680	288.365	ZQCHNTSFWMLEBX-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-028715
s1c2CCCC(=O)N(c2cc1)CC(=O)c1n(ccc1)C	PC-id_63748287	288.365	GSGCFELWHZHANO-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-028716
s1c2c(nc1Oc1ccccc1)CC(CNC2=O)(C)C	PC-id_6426148	288.365	OYSQJJLLJOLWGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028717
CCOC1CN(Cc2ccnn2C1)S(=O)(=O)N(C)C	EMOLS-id_50011250	288.366	ZWMITFIDVWUSTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028719
CCO[C@@H]1CN(S(=O)(=O)N(C)C)Cc2ccnn2C1	ZINC22_247988351	288.366	ZWMITFIDVWUSTD-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028720
CCO[C@H]1CN(S(=O)(=O)N(C)C)Cc2ccnn2C1	ZINC22_247988354	288.366	ZWMITFIDVWUSTD-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-028721
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COC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cncn2C1	PC-id_97474679,ZINC22_96206517	288.366	MIMXXHXCWMYSQW-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-028723
COC[C@H]1CN(S(=O)(=O)N(C)C)Cc2cncn2C1	PC-id_97474680,ZINC22_96206518	288.366	MIMXXHXCWMYSQW-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028724
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COCC(CS(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_319347299	288.367	LXGFKDHEZDHRSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028726
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Cc1ccnc(n1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_99987199	288.368	IOHNUVKWOINSEN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028728
Cc1cnc(cn1)C(=O)Nc1nc2CCCCCc2s1	ZINC22_14164306,CoCoCo_4546068,PC-id_17456924,MCULE-9818460924,EMOLS-id_13494649	288.368	ZATPOPWNCHMLHJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028729
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccnnc1C	EMOLS-id_319572089	288.368	BOGQQKMPRJAXBJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028730
Cc1nc2c(s1)N(CCCC2)C(=O)c1ncccc1N	MCULE-8647528020,EMOLS-id_320205392	288.368	VDFFNNHZGDJEMR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028731
Cc1nnc2CCN(CCn12)C(=O)/C=C/c1cccs1	PC-id_26350475,EMOLS-id_26007645,ZINC22_14994996,CoCoCo_1394127	288.368	UNINGECIHLTDSL-SNAWJCMRSA-N	00000000100100000101000000000010000000000000000000000000	31-01-028732
Cc1nncc(c1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111290125	288.368	UHIDAFOSJBZFIP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028733
CC(=O)c1cccnc1Sc1nnc2n1CCCCC2	PC-id_108223217	288.368	ZRVVFELZGRKXNT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028734
CNC1C(=O)N(CCc2c1scc2)Cc1cccnn1	PC-id_23554606,SCHEMBL14172241	288.368	IXXHCVRPUHQDIJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028735
CNC1C(=O)N(CCc2c1scc2)Cc1ccncn1	SCHEMBL14172212,PC-id_23554614	288.368	HVPNEUNNBCGYPT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028736
CNC1C(=O)N(CCc2c1scc2)Cc1cnccn1	SCHEMBL14172211,PC-id_23554598	288.368	NIZIQXSVSHDPSK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-028737
CNC1C(=O)N(CCc2c1scn2)Cc1ccccn1	SCHEMBL14172314,PC-id_23554505	288.368	NDJSDJJRWUBJRS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028738
CNC1C(=O)N(CCc2c1scn2)Cc1cccnc1	SCHEMBL14172330,PC-id_23554517	288.368	VJFDFWWMVMXMLW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028739
CNC1C(=O)N(CCc2c1scn2)Cc1ccncc1	PC-id_23554533,SCHEMBL14172319	288.368	MDTHYSFYPURBTI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028740
n12CCN(CCc1nnc2C)C(=O)C=Cc1cccs1	MCULE-7252168981,PC-id_74500867	288.368	UNINGECIHLTDSL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-028741
Nc1nccc(c1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-1665665596,EMOLS-id_320025745	288.368	TWAJZMWTVMOIOP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028742
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S(c1n2CCCCCc2nn1)c1ccc(nc1)C(=O)C	PC-id_83120277	288.368	XJWRRDMHRGWGFY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028748
S(c1n2CCCCCc2nn1)c1ncc(cc1C)C=O	PC-id_80640450	288.368	WKIBYORPBSDJON-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028749
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S(c1n2CCCCCc2nn1)c1ncc(cc1)C(=O)C	PC-id_81897204	288.368	WMJAMIPZCNWFBO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028751
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NC(=N)c1ccc(cn1)Sc1nnc2n1CCCCC2	PC-id_115490111	288.371	GXDIBUILHSAJFI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028753
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S(c1n2CCCCCc2nn1)c1c(nccc1)C(=N)N	PC-id_81602870	288.371	DOWRHZLMRIGHJP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028756
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S(c1n2CCCCCc2nn1)c1ncc(cc1)C(=N)N	PC-id_28408278	288.371	HOAQOXOOGLWKQM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028758
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S(c1n2CCCCCc2nn1)c1n(nc(c1C#N)C)C	PC-id_63752170	288.371	LZMUUBHCGCDEEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028761
Cc1ccc(c(c1)C(=O)c1cc2c(s1)CCCCC2)F	PC-id_114970852	288.38	LZACXJTYZCJWBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028762
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Cc1cc(F)cc(c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_115787569	288.38	ZYZFGJLFMKHBKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028763
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Fc1ccc(c(c1)C(=O)c1cc2c(s1)CCCCC2)C	PC-id_114970620	288.38	PGSQNVIBSMZLGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028765
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s1c2CCCCCc2cc1C(=O)c1cc(c(F)cc1)C	PC-id_79735718	288.38	FSUAOEMUCHZGPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028767
s1c2CCCCCc2cc1C(=O)Cc1ccc(F)cc1	PC-id_63529074	288.38	GOLKQCJSVVCBTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028768
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s1c2CCCCCc2cc1C(=O)Cc1c(F)cccc1	PC-id_63528730	288.38	WRYSSXCPTYMCGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028770
O(c1c2-c(cc(C(C)C)cc1)ccc2)CC(OCC)OC	PC-id_56621318	288.381	GWKFYKBPPSAKGK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028771
Cc1ccc(cc2-c1c(cc2)C(=O)c1ccccc1)C(C)C	PC-id_102042064	288.383	LCMSYTFXMANETJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-028772
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OC(=O)CSCCCC1COc2c(OC1)csc2	SCHEMBL10328441,PC-id_68111186	288.383	VYLUXOBGWQZDGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028775
c1(C(=O)NCCC2=CCCCC2)c2CCCCCc2on1	PC-id_39343064,ZINC22_32097162,EMOLS-id_27454684,STOCK6S-82589,MCULE-8949300066	288.385	CHZOIRZNRRKMLZ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-028776
CCOC1CN(Cc2cccn2C1)C(=O)C1=CCCCC1	EMOLS-id_50010374	288.385	GATLXNLULJKGCB-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-028777
CCO[C@@H]1CN(C(=O)C2=CCCCC2)Cc2cccn2C1	ZINC22_306127529	288.385	GATLXNLULJKGCB-INIZCTEOSA-N	00000000100011000101000000000010000000000000000000000000	31-01-028778
CCO[C@H]1CN(C(=O)C2=CCCCC2)Cc2cccn2C1	ZINC22_306127530	288.385	GATLXNLULJKGCB-MRXNPFEDSA-N	00000000100011000101000000000010000000000000000000000000	31-01-028779
CNC1C(=O)N(CCc2c1occ2)CC1CC2CC1CC2	SCHEMBL14171340,PC-id_23554544	288.385	IOLOIYQRBKLEPW-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-028780
COCCC1CN(Cc2ccc(C)o2)Cc2cccn2C1	EMOLS-id_313746614	288.385	NGQJLOZRLFGLAV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028781
COCCC1CN(Cc2cccn2C1)C(=O)C1=CCCC1	EMOLS-id_313835816	288.385	MWKKEHVDFQWIHB-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-028782
COCC[C@H]1CN(Cc2ccc(C)o2)Cc2cccn2C1	ZINC22_585094653	288.385	NGQJLOZRLFGLAV-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028783
COCC[C@@H]1CN(Cc2ccc(C)o2)Cc2cccn2C1	ZINC22_585094654	288.385	NGQJLOZRLFGLAV-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028784
COCC[C@@H]1CN(C(=O)C2=CCCC2)Cc2cccn2C1	ZINC22_585095275	288.385	MWKKEHVDFQWIHB-AWEZNQCLSA-N	00000011100000000101000000000010000000000000000000000000	31-01-028785
COCC[C@H]1CN(C(=O)C2=CCCC2)Cc2cccn2C1	ZINC22_585095276	288.385	MWKKEHVDFQWIHB-CQSZACIVSA-N	00000011100000000101000000000010000000000000000000000000	31-01-028786
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O(C(=O)CCC=CCCc1n[nH]c2c1CCC=CCC2)C	PC-id_53493943	288.385	GHALUGZGLCYXIZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-028795
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c1(C(=O)NC(C)C2=CCCCC2)nnc2CCCCCn12	MCULE-3283428985,EMOLS-id_232855739	288.388	KVIKZWJWERINRL-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-028802
CC1(C)Cc2n[nH]cc2CN(C(=O)N[C@@H]2CC=CCC2)C1	ZINC22_952890930	288.388	NWBXVBGYZKARHG-CYBMUJFWSA-N	00000000100011000101000000000010000000000000000000000000	31-01-028803
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Cc1ccc(o1)CNCCCc1nnc2n1CCCCC2	EMOLS-id_51656334,MCULE-3463747806,PC-id_119110716	288.388	GCLLBSOAXDNATQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-028807
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CN(C)c1ncc(CN2CCCc3c(cnn3C)C2)n1C	EMOLS-id_316147037,MCULE-1080244554,ZINC22_425372098	288.391	RRBQOLDMTKMPDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028908
CN(C)CC1CCn2nccc2CN1Cc1cc(C)n[nH]1	EMOLS-id_313815341	288.391	GGXRAPDIARYIOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028909
CN(C)CC1CCn2nccc2CN1Cc1cnn(C)c1	EMOLS-id_313815086	288.391	XEHGKUDYGWVHHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028910
CN(C)Cc1cnc2CCN(Cc3cnn(C)c3)CCn12	ZINC22_96196776,EMOLS-id_44328483,PC-id_97466921	288.391	BOCCQCHKUNPSPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028911
CN(C)CC1CN(Cc2cnn(C)c2)Cc2nccn2C1	EMOLS-id_46148523	288.391	BSMYYCZMIIYUFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028912
CN(C)C[C@@H]1CCn2nccc2CN1Cc1cnn(C)c1	ZINC22_585098371	288.391	XEHGKUDYGWVHHY-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028913
CN(C)C[C@H]1CCn2nccc2CN1Cc1cnn(C)c1	ZINC22_585098375	288.391	XEHGKUDYGWVHHY-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028914
CN(C)C[C@@H]1CN(Cc2cnn(C)c2)Cc2nccn2C1	PC-id_97381826,ZINC22_96059173	288.391	BSMYYCZMIIYUFQ-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028915
CN(C)C[C@H]1CN(Cc2cnn(C)c2)Cc2nccn2C1	PC-id_97381827,ZINC22_96059174	288.391	BSMYYCZMIIYUFQ-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028916
CN=C(NC1CC=CC1)NCc1nnc2n1CCCCC2	PC-id_109768643	288.391	IZUNDEGUYGCXSO-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-028917
n12CCCCCc1nnc2C(NCc1c([nH]nc1C)C)C	PC-id_43746962	288.391	PEYXSAKHWHTJQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028918
n12CCCCCc1nnc2C(NC(c1cn(nc1)C)C)C	PC-id_61794357	288.391	UDQBOSUNOYYVCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028919
n12CCCCCc1nnc2C(NCc1c(n(nc1)C)C)C	PC-id_79570854	288.391	VHIXFGKQMDGHFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028920
n12CCCCCc1nnc2C(NCc1c(nn(c1)C)C)C	PC-id_81867621	288.391	CPIPGPQXPSNLKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028921
n12CCCCCc1nnc2C(NCc1n(CC)ccn1)C	PC-id_62351707	288.391	USXXVIHAFDERIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028922
n12CCCCCc1nnc2C(NCc1n(CC)cnc1)C	PC-id_66132989	288.391	UVUOUNZUXRYLKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028923
n12CCCCCc1nnc2C(NC(c1n(ccn1)C)C)C	PC-id_64182232	288.391	KMDCROQDZOTNLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028924
n12CCC(CCc1nnc2C)N(C)Cc1cnn(CC)c1	MCULE-7301549676,EMOLS-id_97080878	288.391	ZPNSZPBSEKCROS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028925
CCCc1cc(c2-c1ccc(cc2)CS)C(=O)OCC	PC-id_141580527	288.404	NHOKFJGRFZOCDS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028926
CCCCc1cc(c2-c1cc(S)ccc2)C(=O)OCC	PC-id_141580569	288.404	SQQWOUJCYSOMQR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028927
CCOC(=O)c1cc(c2-c1cccc(c2)S)CC(C)C	PC-id_141580576	288.404	QHILOAUEIMPADI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028928
COc1cccc(c1)C(c1cc2c(s1)CCCCC2)O	PC-id_114976801	288.404	GNMKZEOBTIPYQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028929
COc1ccccc1C(c1cc2c(s1)CCCCC2)O	PC-id_114978749	288.404	YIJNBJONQKTOHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028930
s1c2c(CCCCC2)cc1C(O)c1ccc(OC)cc1	PC-id_61099526	288.404	JXXYNNZOEDLESB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-028931
S(CCc1c2-c(c(c1)C(=O)O)ccccc2)CC(C)C	PC-id_85570888	288.405	WVXMOMABVZYVRM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-028932
c1(NC(=O)C2CCC2)sc2c(CCCCCC2)c1C#N	ZINC22_12343553,PC-id_17172917,CoCoCo_1067930,MCULE-5182292174,EMOLS-id_13329872,TIMTEC266107	288.408	KMLNGXTXEQXAHP-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-028933
Cc1nn(c(c1)CC(=O)c1cc2c(s1)CCCCC2)C	PC-id_114978948	288.408	HMJHKYNIPTXJDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028934
CCCn1ncc(c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_114963852	288.408	HHHDSJAOSCLACR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028935
CCCn1nccc1C(=O)c1cc2c(s1)CCCCC2	PC-id_114972314	288.408	GORLDTJFBPMJHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028936
CCn1ccnc1CC(=O)c1cc2c(s1)CCCCC2	PC-id_115783568	288.408	BENUJLCRPQNQBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028937
CCn1ncc(c1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_114965407	288.408	JXBRSPTXFCPUPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028938
CC(=O)/C=C(/C)Nc1sc2CCCCCCc2c1C#N	EMOLS-id_337889060	288.408	KGXDIJFUSCERKN-LUAWRHEFSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028939
Cn1ncc(c1)CCC(=O)c1cc2c(s1)CCCCC2	PC-id_103024117	288.408	OYJGSRXKBHNBLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028940
COc1ccc(cc1)CCc1sc2c(n1)CCCCN2	PC-id_10708510,SCHEMBL8311084	288.408	RGLWDXBEHPLBAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028941
COc1cccnc1C(c1cc2c(s1)CCCCC2)N	PC-id_108214223	288.408	SZZKMSZPZCGCIM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028942
COc1cncc(c1)C(c1cc2c(s1)CCCCC2)N	PC-id_105026208	288.408	JMRKXJLSSIQQDB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-028943
N#CC1(CCC1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110441894	288.408	ZLKLXSVZQZRPAB-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-028944
N#CC1CCCC1NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_110181593,PC-id_62961436	288.408	DXGRRDVUPFBGIS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-028945
N#CC1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	PC-id_49063489,EMOLS-id_102306015	288.408	JAJLOSMFLSKUCB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-028946
N#Cc1c(NC(=O)CC2CC2)sc2c1CCCCCC2	EMOLS-id_110969223	288.408	XZAPNXMTBORPEE-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-028947
O=C1N(CCc2c(C1C)scn2)CC1=CC=CC1(C)C	PC-id_141978853	288.408	ZVXZQQSAORMMEW-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-028948
O=C(c1cc2c(s1)CCCCC2)CCc1ccnn1C	PC-id_103024398	288.408	RYMYWMDJELARBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028949
O=C(c1cc2c(s1)CCCCC2)CCc1nccn1C	PC-id_115811831	288.408	ZOYRTPOGSNVFSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028950
O=C(c1sc2c(c1)CCCCCC2)NCc1cc[nH]c1	PC-id_106385526	288.408	RUCLGASMOCKYIT-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-028951
s1c2CCCCCc2cc1C(=O)c1n(CCC)ccn1	PC-id_61315139	288.408	CHTBXAUYYRSYEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028952
s1c2c(CCCCC2)cc1C(=O)N1C(CCCC1)C#N	PC-id_64412418	288.408	VLNWPLYFMORCPM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-028953
s1c2c(CCCCC2)cc1C(=O)N1CC(CCC1)C#N	PC-id_64442127	288.408	VWACWTCGYGZFPQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-028954
s1c2c(CCCCC2)cc1C(=O)NC1(CCCC1)C#N	PC-id_60704806	288.408	MHFFXTSRMHMYHF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-028955
s1c2c(CCCCC2)c(c1NC(=O)C1CCCC1)C#N	PC-id_4592569	288.408	SKIFOFPGFPKHNZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-028956
s1c2CCCCCCc2c(c1NC(=CC(=O)C)C)C#N	PC-id_16680686	288.408	KGXDIJFUSCERKN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-028957
s1c2CCCCNc2nc1COc1c(cc(cc1)C)C	PC-id_28904024	288.408	IILVRCSXCXISDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028958
s1c2CCCCNc2nc1COc1cc(c(cc1)C)C	PC-id_28904027	288.408	KMCJYBSWZIZEKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028959
s1c2CCCCNc2nc1COc1cc(cc(c1)C)C	PC-id_28904031	288.408	WLHSWQKDMIOXAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028960
s1c2CCCCNc2nc1COc1ccc(CC)cc1	PC-id_28904021	288.408	HPZXZGDJDQMBIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028961
s1c(C(=O)N(C2CC2)CCC#N)cc2c1CCCCC2	PC-id_61587107	288.408	LMHORHOUUUIOFP-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-028962
s1c(nc(Cn2cc3CCCCC(=O)c3c2)c1)C(C)C	PC-id_83205725	288.408	RGJFRCKMEAUKGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028963
s1c(nc(Cn2cc3CCCCC(=O)c3c2)c1)CCC	PC-id_83208279	288.408	NPENRIAWOWSPQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-028964
C1CCn2c(CC1)nnc2CNC1CCc2c1scc2	MCULE-7227705732,EMOLS-id_318707525	288.411	GYUBKNRXTNURJV-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-028965
Nc1nc2c(s1)CCN(CC2)CCCc1ccccn1	PC-id_19985766,SCHEMBL7292268	288.411	XBSAIGMENYRYJE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028966
Nc1nc2c(s1)CCN(CC2)CCCc1cccnc1	SCHEMBL7295141,PC-id_19985769	288.411	QOKMDMIHNWBJIH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-028967
NCc1cccc(c1Sc1nnc2n1CCCCC2)C	PC-id_107111269	288.411	RIILUJSFQRPXRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028968
NCc1cc(C)ccc1Sc1nnc2n1CCCCC2	PC-id_107931438	288.411	NCGSTPAXRXFXCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028969
[NH+](Cc1n[nH]c2c1CCCCC2)(Cc1nn(c(c1)C)C)C	PC-id_28078569	288.411	FKMQKPLCOJRYLV-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-028970
S(c1n2CCCCCc2nn1)c1c(cc(cc1)CN)C	PC-id_60930410	288.411	LEXQGUNMAFGFFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028971
S(c1n2CCCCCc2nn1)c1ccc(cc1)CNC	PC-id_63805808	288.411	GEKCBQXGYUIIQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028972
S(c1n2CCCCCc2nn1)c1cc(c(cc1)CN)C	PC-id_63806328	288.411	WPDUVQQHUGHWLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028973
S(c1n2CCCCCc2nn1)c1ccc(CCN)cc1	PC-id_63820472	288.411	RIANKNQGYYSTLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028974
S(c1n2CCCCCc2nn1)c1ccc([C@H](N)C)cc1	PC-id_28417966	288.411	QUGREUOYDOJCCX-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028975
S(c1n2CCCCCc2nn1)c1ccc([C@@H](N)C)cc1	PC-id_28417969	288.411	QUGREUOYDOJCCX-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-028976
S(c1n2CCCCCc2nn1)c1ccc(C(N)C)cc1	PC-id_43189331	288.411	QUGREUOYDOJCCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028977
S(c1n2CCCCCc2nn1)c1c(CCN)cccc1	PC-id_63820135	288.411	UFMWCXDEAFIHSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028978
S(c1n2CCCCCc2nn1)c1c([C@H](N)C)cccc1	PC-id_28417962	288.411	BSUYOBQDPCRRKB-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028979
S(c1n2CCCCCc2nn1)c1c([C@@H](N)C)cccc1	PC-id_28417964	288.411	BSUYOBQDPCRRKB-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-028980
S(c1n2CCCCCc2nn1)c1c(CN)ccc(c1)C	PC-id_62308348	288.411	NDTTVXNULBADBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028981
S(c1n2CCCCCc2nn1)c1c(C(N)C)cccc1	PC-id_43189330	288.411	BSUYOBQDPCRRKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028982
S(c1n2CCCCCc2nn1)c1c(CNC)cccc1	PC-id_63805637	288.411	IDZSKQQFCFHAGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028983
S(c1n2CCCCCc2nn1)Cc1cc(ccc1)CN	PC-id_43530505	288.411	ZPECUHUQPROTHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028984
S(c1n2CCCCCc2nn1)Cc1ccc(cc1)CN	PC-id_43530507	288.411	XJELYQZQBIXANU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028985
S(c1n2CCCCCc2nn1)C(c1ccccc1)CN	PC-id_61614477	288.411	LTGPVNWCWRCPGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028986
S(c1n2CCCCCc2nn1)C(c1ccc(N)cc1)C	PC-id_61263897	288.411	QQHLZMYMATVCPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028987
S(c1n2CCCCCc2nn1)Cc1c(c(N)ccc1)C	PC-id_43509447	288.411	UCXRECKEYVNQFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028988
S(c1n2CCCCCc2nn1)C(c1cc(N)ccc1)C	PC-id_61261843	288.411	XKFURIXKQMOBLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028989
S(c1n2CCCCCc2nn1)Cc1c(CN)cccc1	PC-id_43530506	288.411	WTIQJEQCHRUFSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028990
S(c1n2CCCCCc2nn1)CCc1ccc(N)cc1	PC-id_43519799	288.411	LUEFFUGUHOGZEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028991
S(c1n2CCCCCc2nn1)CCc1c(N)cccc1	PC-id_62497605	288.411	VRXDDNFVYGAFIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028992
S(c1n2CCCCCc2nn1)CCNc1ccccc1	PC-id_62576280	288.411	DUZDQGFRFYZSIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028993
S(c1n2CCCCCc2nn1)CC(N)c1ccccc1	PC-id_63773464	288.411	FKIWVERODRBGHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-028994
O=C1CCCCCCCCCCCc2cc(/C(=C
)/C)co2	PC-id_101365600	288.424	FEGQMMZDKDTUBX-SSZFMOIBSA-N	00000000100000000110000000000010000000000000000000000000	31-01-028995
c12-c(c(cc1Cc1ccccc1)C)cc(C(C)C)ccc2C	PC-id_85834629	288.426	BRRVWIPVLCXMNE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-028996
c12-c(cc(ccc1CCc1ccccc1)C(C)C)c(cc2)C	PC-id_85603918	288.426	BOVAGHIFGACNSX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-028997
c1(c2-c(cc1)ccc(C(C)C)cc2)CCc1ccc(cc1)C	PC-id_19815664	288.426	FTGWPAGSEDFCHA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-028998
Cc1c2-c(c(cc2C=C2CC=CC=C2)C)cc(cc1)C(C)C	PC-id_136836145	288.426	OAUVEXFRIHBYGZ-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-028999
Cc1c2-c(c(c(c2)Cc2ccccc2)C)cc(cc1)C(C)C	PC-id_90471994	288.426	WBBZCTGTXOZLMB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-029000
OC(c1cc2c(s1)CCCCC2)CCS(=O)(=O)C	PC-id_115790651	288.426	SVCKFSBQZOEWSQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029001
C1CCn2c(CC1)nnc2CCNC1C[C@H]2[C@@H]1CCCC2	EMOLS-id_318799536	288.431	CDNWHSDEJCPTGG-ZYOSVBKOSA-N	00001000100010000101001000000010000000000000000000000000	31-01-029002
CC1(C)[C@H]2CCC[C@H]2C1NCc1nnc2n1CCCCC2	MCULE-5445053074,EMOLS-id_319910650	288.431	SJHBVDRILSIBCJ-IMSGDLLMSA-N	00001010100000000101001000000010000000000000000000000000	31-01-029003
CCC(c1nnc2n1CCCCC2)NC1CCC[C@@H]2[C@H]1C2	EMOLS-id_318199738,MCULE-2519429292	288.431	QUXMZIILCGMBSA-ZUJMUWTESA-N	00100000100010000101010000000010000000000000000000000000	31-01-029004
CSC1=NCCN(c2c1ccs2)Cc1ccccc1	PC-id_139776074	288.431	RPGABWRKYFCVRJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-029005
O=Cc1c2-c(c(c1S(C(C)(C)C)(C)C)C)ccccc2	PC-id_145572875	288.448	PNOWRGTUOFSZOV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029006
O=C(c1cc2c(s1)CCCCC2)C1=CCCCCCC1	PC-id_106655759	288.448	IQMYXMLDIVXUQI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-029007
O=C(c1cc2c(s1)CCCCC2)CC1CC2CC1CC2	PC-id_115784967	288.448	ZQUFTOXDJQZBMH-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-029008
s1cc(CCn2cc3C(NCC)CCCCc3c2)cc1	PC-id_83212336	288.451	YGMNINFVPUHYQQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-029009
s1c(CCn2cc3C(NCC)CCCCc3c2)ccc1	PC-id_83208362	288.451	VOHGYBRRFSDYOY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-029010
s1cc(Cn2cc3C(NCCC)CCCCc3c2)cc1	PC-id_83213008	288.451	GCYVHTDDMSHSNS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-029011
s1c(Cn2cc3C(NC)CCCCc3c2)ccc1CC	PC-id_83208898	288.451	IHYCFJOLRCUNBE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-029012
s1c(Cn2cc3C(NCCC)CCCCc3c2)ccc1	PC-id_83212923	288.451	HPERUYNVPVVUCD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-029013
n1(CC2CCCCC2)cc2C(NCCC)CCCCc2c1	PC-id_83210966	288.471	AMUKQGQVHBJCNH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-029014
CCC(c1cc2=CC=C(CC=c2s1)C(C)(C)C)(CC)C	PC-id_143322061	288.491	UFZXWJHEDWYHQO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-029015
CCC(c1cc2=CCC(=CC=c2s1)C(C)(C)C)(CC)C	PC-id_143322112	288.491	SFMCMUYMDVCUPV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-029016
c1ccc2-c(c(cc2Cl)I)cc1	PC-id_134861421	288.512	UNNFMMFNNIACPI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029017
N#CC(=c1cccc2-c(c1)c(=C(C#N)C#N)cc2Cl)C#N	PC-id_101068670	288.691	JPVNJTOMDXFHJH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029018
N#CC(=c1cccc2-c(c1)c(Cl)cc2=C(C#N)C#N)C#N	PC-id_101068669	288.691	AJOLJVBNBAMIIA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029019
Clc1ccc2-c(cc1)ccc2OC(=O)c1cccs1	PC-id_145979299	288.749	MXLSHDRUBUVESS-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-029020
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)NCCCl	PC-id_90625568	288.754	OSNIBOSIUNJYOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029021
ClC(=Cc1c2-c(cc1)ccccc2)C(=O)OC(C)(C)C	PC-id_10880753	288.769	BYKVGJGOXOAYRU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029022
O=C(C1CCCn2c(C1)ccc2)Nc1ccc(cc1)Cl	PC-id_143775128	288.772	LUWTYIOGYWMBDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029023
Cc1ccc(c(c1)Cl)Cn1cc2c(c1)CCCCC2N	PC-id_106865961	288.815	TUTHSIXBTGDJLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029024
CC(C)(c1n[nH]c2CCCCCc12)c1ccccc1Cl	EMOLS-id_337934868	288.815	CGCSPDGYXXCFLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029025
CC(C)(c1n[nH]c2CCCCCc12)c1cccc(Cl)c1	EMOLS-id_337932564	288.815	VJEKHNJLIBSZNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029026
CC(C)(c1n[nH]c2CCCCCc12)c1ccc(Cl)cc1	EMOLS-id_337934355	288.815	DQKREZGHKQDQQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029027
Clc1ccc(Cn2cc3C(NC)CCCCc3c2)cc1	PC-id_83208802	288.815	BLQNFBAAODVCJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029028
Clc1cc(Cn2cc3C(NC)CCCCc3c2)ccc1	PC-id_83208184	288.815	UYMHNQNCWXUOAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029029
Clc1c(Cn2cc3C(NC)CCCCc3c2)cccc1	PC-id_83209073	288.815	QIENDZCDLYFAMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029030
Clc1n(nc2c1CCCCC2)CCCc1ccccc1	PC-id_66021009	288.815	MZDDPVBNSBWFBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029031
C1CCC(=O)C2=C(C1)C=CN2S(=O)(=O)C3=CC=CC=C3	PC-id_154499321	289.077	MYHWZUPENUUEKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029034
CC1CCC(=O)c2c(C1)n(I)cc2	PC-id_141993254	289.113	GFBDLDCBSAIZGP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029035
C1CCC2=C(CC1)SC(=C2C(=O)C3=CCCC(=C3)O)N	PC-id_163912582	289.114	QTLAKOAJPNKOJX-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-029036
BrC#Cc1c2-c(c(c1)C(=O)OC)ccccc2	PC-id_86041249	289.124	DXUJCPIBZIMQOR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029037
C[C@@H](C1=CNN=C1)NC(=O)C2=CC3=C(S2)CCCCC3	PC-id_164629414,ZINC22_229967429	289.125	JESRQZXEUUMEFP-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-029038
COC1=CC=C(C=C1)CN2CCC3=C(CC2)SC(=N3)N	PC-id_151789138	289.125	RWGBXPUPUBPMQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029039
CCOC(=O)c1c(Br)nn2CCCCOc12	EMOLS-id_337724031	289.126	QQKJHUNRYOVKEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029040
CN(C1=CC=C(C=C1)F)C(=O)C2CCC3=NN=NN3CC2	PC-id_154800895	289.134	CTIVRUYDQHEKEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029041
CN(C1=CC=C(C=C1)F)C(=O)[C@H]2CCC3=NN=NN3CC2	PC-id_164631194	289.134	CTIVRUYDQHEKEI-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-029042
CC(C)C1=NNC2=C1CN(CCC2)C(=O)CC(F)(F)F	PC-id_148895483	289.14	PFTWEKXZEXGGDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029043
C1CNC(=O)CCC2=CN(/C=CC=CC1C(=O)CN)N=N2	PC-id_160314841	289.154	YUXQKGVEHBESFQ-KYEMDCSASA-N	00000000100000000111000000000010000000000000000000000000	31-01-029044
C/C=CCn1cc(c2=CCC=C(C=c12)Br)C#N	PC-id_143184277	289.17	LFQKBRJMCQVZDR-IHWYPQMZSA-N	00000000100000000110000000000010000000000000000000000000	31-01-029045
OC(=O)c1c2c(CCCCCC2)sc1Br	EMOLS-id_259749445,MCULE-6952288087,PC-id_114748402	289.189	DMPATMNRLJVYFF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029046
CCC1=CN=C(O1)CN[C@H](C)C2=NN=C3N2CCCCC3	PC-id_154779312	289.19	QWLABCKJOKNHFY-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029047
CCC(C1=NN=C2N1CCCCC2)NCC3=NOC(=C3)C	PC-id_154743478,EMOLS-id_317271803,MCULE-3418881984	289.19	IYONFIKVNXDSRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029048
BrCC(=O)Nc1nc2c(s1)CCCCC2	MCULE-1805832531	289.192	BCPDQAIDJZPGLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029049
C1C=CC=CC(=O)C=c2c(=COC(=O)CC1=O)oc(=O)[nH]2	SCHEMBL2039733,PC-id_87327319	289.24	ULZOMKWMWYQDCK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029050
CCOC(=O)c1c2-c(c(c1O)C=O)ccc(cc2)[N+](=O)[O-]	PC-id_101915788	289.24	MHQKLAQLMPSQBK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029051
o1/c/2=C/OC(=O)CC(=O)CC=CC=CC(=O)/C=c2/[nH]c1=O	PC-id_67257628	289.24	ULZOMKWMWYQDCK-NWTGSELNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029052
o1c2=COC(=O)CC(=O)C/C=C/C=C/C(=O)/C=c/[nH]c1=O	PC-id_67257629	289.24	ULZOMKWMWYQDCK-JWNCVKDXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029053
O=C1O/C=c/oc(=O)[nH]/c2=C/C(=O)/C=CC=C/CC(=O)C1	SCHEMBL2039728	289.24	ULZOMKWMWYQDCK-JHHDNIJJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029054
O=C1O/C=c/2oc(=O)[nH]c2=CC(=O)/C=C/C=C/CC(=O)C1	SCHEMBL2039731	289.24	ULZOMKWMWYQDCK-UKEOOXRUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029055
FC(c1cnc(nc1)Nc1cccc2-c(c1)ccc2)(F)F	SCHEMBL4975786,PC-id_69264371	289.255	OLSOISFCBFGYCX-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-029056
FC(F)(F)c1nn(c2c1CCCCC2)CCCC(=O)[O-]	PC-id_4753179	289.274	MRDPUIPVAFRUGL-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-029057
COC(=O)COC1CCc2n(C)nnc2C(CC1)(F)F	SCHEMBL16984179,PC-id_118287833	289.278	MNQJCBHWGIWFPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029058
FOC(=O)N1CCc2c(CC1)c(c(s2)C(=O)O)OC	PC-id_143164826	289.28	PUAKEPFUZGDFDB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029059
c1(C(=O)OC)cc2c(C)[nH]c(C)c2cc(C(=O)OC)c1=O	PC-id_839279,MCULE-4838575471,ZINC22_8684342,CoCoCo_6950630,EMOLS-id_8270585,SPECS-id_AN-970/40920545	289.283	FLKQAIPLVLRCFN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-029060
COc1ccc2-c(cc1)c(c(c2C(=O)OC)N)C(=O)OC	PC-id_102239339	289.283	RYYWZJBUICTTFR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029061
COc1cccc2-c(c1)c(C(=O)OC)c(c2C(=O)OC)N	PC-id_102239306	289.283	OQAITCVUBSXJBC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029062
O(c1c2-c(c(c(N)c2C(=O)OC)C(=O)OC)cccc1)C	PC-id_15339949	289.283	KJHNEPHAANOOCM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029063
Oc1c(cc2-c(c(nc2C)C)cc1C(=O)OC)C(=O)OC	CHEMBL1580821	289.283	VRGCBZCIMZAZDP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029064
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)O)C1	PC-id_137638627	289.287	JPLBGLNFHLANTE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029065
O=C(c1coc2c1C(=O)NCCC2)NCc1cnoc1C	EMOLS-id_319510065	289.287	ALLVQAOLAGTKEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029066
O=C(N1CC[n+]2c(CC1)c(on2)[O-])OCc1ccccc1	PC-id_118394528,SCHEMBL17112969	289.287	MJQXIAKBQGGLKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029067
OC(=O)c1ccc(Nc2nc3-c(c2C#N)ccccc3)cc1	PC-id_10446881	289.288	IWAAOXOJIGVZLC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-029068
O1CCN(CCn2c1nc([N+](=O)[O-])c2)Cc1cccnc1	SCHEMBL14965590,PC-id_71569326	289.29	WKEWONMJKHBEDR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029069
O1CCN(CCn2c1nc([N+](=O)[O-])c2)Cc1ncccc1	SCHEMBL14965813,PC-id_71569325	289.29	VWLOZISFJKCXMO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029070
Oc1ccc(c(c1)O)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102181011	289.29	BTPHUWAZGTZMSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029071
O=C(c1c(O)cccc1O)NC1CCn2c(CC1)nnn2	EMOLS-id_102162775	289.29	IFPRYFWBNFKROY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029072
O=C(N1CCCc2n(nc(c2)C(=O)NO)C1)c1[nH]ccc1	PC-id_53475854	289.29	PDEUQCPJXNBHIU-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-029073
OC(=O)c1cncnc1Cn1nc2n(c1=O)CCCCC2	PC-id_102973927	289.29	CSLDOKMVNICPSI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-029074
FC(F)(F)COCCCn1cc2CCCCC(=O)c2c1	PC-id_83206266	289.293	DHKZOZSNEQQURZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029075
O=C1C(CCn2c(N1C)c(C)cn2)NC(=O)c1ncn[nH]1	PC-id_145225734	289.293	IFRHSOCLDJRZSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029076
O=C1C(CCn2c(N1C)cc(n2)C)NC(=O)c1n[nH]cn1	SCHEMBL18366483	289.293	JDQHTYOGTUCNJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029077
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1n[nH]cn1	SCHEMBL18366514	289.293	JDQHTYOGTUCNJI-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029078
O=C1[C@@H](CCn2c(N1C)cc(n2)C)NC(=O)c1n[nH]cn1	SCHEMBL18366520	289.293	JDQHTYOGTUCNJI-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029079
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCC(F)(F)F	MCULE-1251394128,EMOLS-id_319953196	289.297	QWDKBTDVJOGZOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029080
CCC(C(F)(F)F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_319028885	289.297	RZWYYNJLIDCQHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029081
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCC	PC-id_19523845	289.297	YNFSAYOYRQONJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029082
FC(F)(F)CNC(=O)Cn1cc2C(N)CCCCc2c1	PC-id_83207951	289.297	AGNSGRWDZPCZPO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029083
c1(ccc2NC(=O)/C(=Cc3ccc4-c3ccccc4)/c2c1)F	CHEMBL1257561,PC-id_52947505,BindingDB_PC-id_52947505,SCHEMBL3283702	289.303	GTINQHKPVMOROA-YVLHZVERSA-N	00000010100000100110000000001010000000000000000000000000	31-01-029084
Fc1cc2C(=Cc3c4-c(cc3)ccccc4)C(=O)Nc2cc1	SCHEMBL3283704,PC-id_59301615	289.303	GTINQHKPVMOROA-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-029085
Fc1cc2C(=Cc3c4-c(ccc4)cccc3)C(=O)Nc2cc1	PC-id_59301642	289.303	OVKRDQKYOCJHIY-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-029086
Fc1cc2/C(=C/c3c4-c(ccc4)cccc3)/C(=O)Nc2cc1	PC-id_68581582,SCHEMBL3286129	289.303	OVKRDQKYOCJHIY-YVLHZVERSA-N	00000010100000100110000000001010000000000000000000000000	31-01-029087
Fc1cc2/C(=C/c3cc4-c(c3)ccccc4)/C(=O)Nc2cc1	PC-id_59301618,SCHEMBL3283740	289.303	AEEOJVRJWZOUFU-YVLHZVERSA-N	00000010100000100110000000001010000000000000000000000000	31-01-029088
Fc1cc2C(=Cc3cc4-c(c3)ccccc4)C(=O)Nc2cc1	PC-id_59301635	289.303	AEEOJVRJWZOUFU-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-029089
Fc1cc2C(=Cc3ccc4-c(cc3)ccc4)C(=O)Nc2cc1	PC-id_59301634	289.303	WMCTZVGPVIEFDN-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-029090
Fc1cc2/C(=C/c3ccc4-c(cc3)ccc4)/C(=O)Nc2cc1	PC-id_68580327,SCHEMBL3283034	289.303	WMCTZVGPVIEFDN-YVLHZVERSA-N	00000010100000100110000000001010000000000000000000000000	31-01-029091
Fc1ccc2c(c1)/C(=Cc1cc3-c(c1)ccccc3)/C(=O)N2	SCHEMBL3283850	289.303	AEEOJVRJWZOUFU-LICLKQGHSA-N	00000010100000100110000000001010000000000000000000000000	31-01-029092
Fc1ccc2c(c1)/C(=Cc1ccc3-c(cc1)ccc3)/C(=O)N2	SCHEMBL3284863	289.303	WMCTZVGPVIEFDN-LICLKQGHSA-N	00000010100000100110000000001010000000000000000000000000	31-01-029093
Fc1ccc2c(c1)/C(=Cc1ccccc3-c1ccc3)/C(=O)N2	SCHEMBL3284156	289.303	OVKRDQKYOCJHIY-LICLKQGHSA-N	00000010100000100110000000001010000000000000000000000000	31-01-029094
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1F)O	EMOLS-id_320270729,MCULE-4204671338	289.305	SHJPBARZUXNCLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029095
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(O)cccc1F	EMOLS-id_318922598	289.305	JIDOIABPHSXBEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029096
Fc1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)O	EMOLS-id_101673056	289.305	GYNNJKUZZQPGOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029097
Fc1ccc(c(c1)O)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674682	289.305	XSJKUTABICSMGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029098
Fc1ccc(C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_60747072	289.305	NTAMZHRPBUCMQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029099
Fc1cc(C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_62022882	289.305	PNMOTAAMARDEKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029100
Fc1c(C(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_60746985	289.305	IRAIQDMRSGDITD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029101
Oc1cccc(c1C(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101676512	289.305	IRGFBNRYANOFJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029102
Oc1ccc(c(c1)F)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674781	289.305	NRPGRBLEHDKRDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029103
Oc1ccc(c(c1)NC(=O)c1cnc2n1CCCCC2)F	EMOLS-id_319693148	289.305	DRJPPXIAESSJCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029104
Oc1ccc(c(c1)NC(=O)c1n[nH]c2c1CCCCC2)F	EMOLS-id_319447642	289.305	WVCITHFADDYUCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029105
O=C(c1cccc(c1F)O)N1CCCc2c(C1)cnn2C	EMOLS-id_319531671	289.305	CORJKGUDQIXORA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029106
Cc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102160393	289.308	ROQAIEYICCMIED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029107
Cc1ccc(c(c1)F)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182529	289.308	UIAGKDAUAGPAIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029108
Cc1cc(F)cc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158296	289.308	YFZZUFXAHUJUBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029109
Fc1ccc(c(c1)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182418	289.308	RSVXWDHUZUABEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029110
Fc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102166438	289.308	SWIKQEIADHAVCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029111
Fc1cccc(c1)C(=O)NCc1nnc2CCNCCn12	MCULE-1284246680,PC-id_118759304,EMOLS-id_68887869,ZINC22_299761628	289.308	MBGXXGIGPRXQFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029112
Fc1cccc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319271332	289.308	BRKPMHQVKBYVSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029113
Fc1ccc(cc1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319607642	289.308	PGLODDBJVYACQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029114
Fc1ccc(nc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945601	289.308	JODWTLYDHVZROZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029115
Fc1cncc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101869263	289.308	XHYUMNPPYKCLPV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029116
O=C(c1ccc(c(c1)C)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102160357	289.308	HLHPPZIOMVNZHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029117
O=C(c1cccc(c1C)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102175364	289.308	CUILQJBICQZKJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029118
O=C(c1ccc(c(c1)F)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102168136	289.308	BWQXNTQPKHOKDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029119
O=C(c1cccc(c1F)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102182463	289.308	SJRULBSNVDVRKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029120
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccccc1F	EMOLS-id_319456158	289.308	XICSNQMMJBKZOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029121
O=C(NCc1nnc2n1CCCCC2)c1cncc(F)c1	ZINC22_165089257,EMOLS-id_316878849,MCULE-4045519646	289.308	XBJONIPOFMAOIG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029122
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1nccnc1	PC-id_90625451	289.313	FYQRICYUFJPQBE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-029123
N#Cc1c[nH]c(=NC(=O)N2CCCn3nncc3C2)s1	ZINC22_2325781772	289.316	KAUWKBUVFRXVRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029124
O=C1CCCCc2c1cn(c2)CC(c1ccccc1)(F)F	PC-id_116790121	289.32	BICAPDPTLKDFHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029125
CCOC(=O)c1c(N)c(c2-c1c([2H])cccc2[2H])C(=O)OCC	PC-id_101072533	289.323	FKLMJXLPXBUJDE-XETGXLELSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029126
CCOC(=O)c1c(N)c(c2-c1c([2H])cc(cc2)[2H])C(=O)OCC	PC-id_101072534	289.323	FKLMJXLPXBUJDE-VBCVTXNDSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029127
o1c2-c(ccccc2N(CC)CC)c(c1=O)C(=O)OCC	PC-id_10334349	289.326	ZKPBPXASHFVFLC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029128
Cc1ccc(C(=O)N2CCCc3c(c(=O)n(C)n3C)C2)o1	EMOLS-id_46164415,ZINC22_96070110,PC-id_97392157	289.33	MVDKXAJYEJCJNP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029129
Cc1ccoc1C(=O)N1CCCc2c(C1)c(=O)n(C)n2C	EMOLS-id_44335431,PC-id_97471114,ZINC22_96201050	289.33	PHCAUUZPKYFPMT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029130
Cc1ncc(o1)CCNC(=O)c1noc2c1CCCCC2	EMOLS-id_319039435	289.33	YJZFOWMJMLZZBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029131
CCc1noc(c1NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_101003398	289.33	HLRFSTLRBDKIIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029132
CCOC1CN(Cc2cccn2C1)C(=O)c1cc(C)no1	EMOLS-id_50007934	289.33	OZOCWYQMXARILO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029133
CCOC1CN(Cc2cccn2C1)C(=O)c1ocnc1C	EMOLS-id_50010372	289.33	OMYFSALRTIMQCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029134
CCOCC1CCn2nccc2CN1C(=O)c1ccco1	EMOLS-id_313743031	289.33	VNGXHCXAPSKFQY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029135
CCOC[C@H]1CCn2nccc2CN1C(=O)c1ccco1	ZINC22_585098170	289.33	VNGXHCXAPSKFQY-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029136
CCOC[C@@H]1CCn2nccc2CN1C(=O)c1ccco1	ZINC22_585098171	289.33	VNGXHCXAPSKFQY-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029137
CCO[C@H]1CN(C(=O)c2cc(C)no2)Cc2cccn2C1	ZINC22_253600418	289.33	OZOCWYQMXARILO-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029138
CCO[C@@H]1CN(C(=O)c2cc(C)no2)Cc2cccn2C1	ZINC22_253600419	289.33	OZOCWYQMXARILO-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029139
CCO[C@H]1CN(C(=O)c2ocnc2C)Cc2cccn2C1	ZINC22_248040042	289.33	OMYFSALRTIMQCH-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029140
CCO[C@@H]1CN(C(=O)c2ocnc2C)Cc2cccn2C1	ZINC22_248040046	289.33	OMYFSALRTIMQCH-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029141
Cn1ncc(c1)CCOC(=O)c1noc2c1CCCCC2	EMOLS-id_49326543,PC-id_75511285,MCULE-5400575681	289.33	YUUBNYKICAGSQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029142
COc1coc(cc1=O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320053301,MCULE-1815078668	289.33	MQUPZBLORXFQKH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-029143
COc1nn(c2c1CCCN(C2)C(=O)c1ccc(o1)C)C	PC-id_97404589	289.33	TUPLXCKEOBTVGX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029144
COCC1CN(Cc2cncn2C1)C(=O)Cc1ccco1	EMOLS-id_49228715	289.33	UGCRRNOXHSHRDQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029145
COCC1CN(Cc2nccn2C1)C(=O)c1ccc(C)o1	PC-id_118740962,EMOLS-id_46148449	289.33	GHVJNOGRBBHLNW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029146
COCC1CN(Cc2nccn2C1)C(=O)c1ccoc1C	PC-id_118741169,EMOLS-id_46148435	289.33	DXQIHUUVLOWHGK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029147
COC[C@@H]1CN(C(=O)c2ccc(C)o2)Cc2nccn2C1	ZINC22_96059099,PC-id_97381752	289.33	GHVJNOGRBBHLNW-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029148
COC[C@H]1CN(C(=O)c2ccc(C)o2)Cc2nccn2C1	ZINC22_96059100,PC-id_97381753	289.33	GHVJNOGRBBHLNW-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029149
COC[C@H]1CN(C(=O)c2ccoc2C)Cc2nccn2C1	PC-id_97381739,ZINC22_96059086	289.33	DXQIHUUVLOWHGK-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029150
COC[C@@H]1CN(C(=O)c2ccoc2C)Cc2nccn2C1	ZINC22_96059085,PC-id_97381738	289.33	DXQIHUUVLOWHGK-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029151
COC[C@H]1CN(C(=O)Cc2ccco2)Cc2cncn2C1	PC-id_97474675,ZINC22_96206513	289.33	UGCRRNOXHSHRDQ-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029152
COC[C@@H]1CN(C(=O)Cc2ccco2)Cc2cncn2C1	PC-id_97474676,ZINC22_96206514	289.33	UGCRRNOXHSHRDQ-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029153
COC(=O)C1CCc2n(CC1)c(nn2)CCc1ccco1	EMOLS-id_316948815,MCULE-8788186224,PC-id_136557142	289.33	KDKQUPGBFSZQDS-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029154
COC(=O)[C@@H]1CCc2nnc(CCc3ccco3)n2CC1	ZINC22_601043906	289.33	KDKQUPGBFSZQDS-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029155
COC(=O)[C@H]1CCc2nnc(CCc3ccco3)n2CC1	ZINC22_601043907	289.33	KDKQUPGBFSZQDS-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-029156
N[C@]12CC[C@H]1CN(C(=O)c1coc3c1C(=O)NCCC3)C2	EMOLS-id_316797372,ZINC22_1615546139,MCULE-9298543017	289.33	LVOALXBWRJVSPU-VFZGTOFNSA-N	00001010100000000100001000000010000000000000000000000000	31-01-029157
N#CC1(CCOCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111930349	289.33	XZOZNFIMKNDCOE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029158
O=C(N1CCCc2c(C1)cco2)Nc1noc(c1)C(C)C	EMOLS-id_99359047	289.33	LLLLHJAIWFSRFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029159
O=C(NC12CC(C(=O)O)(C1)C2)c1cnc2n1CCCCC2	ZINC22_1875286022	289.33	AQAJNJIMQPXQEB-UHFFFAOYSA-N	00001000100000000101001000000010000000000000000000000000	31-01-029160
OC(=O)c1cc(oc1C)CN1CCCc2c(C1)cnn2C	EMOLS-id_318666413,MCULE-1072419974	289.33	ATDUIYPCVCVPFH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029161
OC(=O)c1oc(cc1C)CN1CCCc2c(C1)cnn2C	EMOLS-id_318548221,MCULE-2375680172	289.33	XJIPNRVLRWMBQA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029162
s1c2CCCCCc2c(c1NC(=O)/C=C/C(=O)[O-])C#N	PC-id_7367730	289.33	QRNSSXVUTDETOC-VOTSOKGWSA-M	00000000100000000100000000000010000000000000000000000000	31-01-029163
s1c2CCCCCc2c(c1NC(=O)C=CC(=O)[O-])C#N	PC-id_78476354	289.33	QRNSSXVUTDETOC-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-029164
C=C=C1C=CC=C/C/1=N/N(c1c(=O)[nH]c2-c1ccccc2)C	SCHEMBL13077197	289.331	FZECXPRHTCTAQM-HKWRFOASSA-N	00000010100011000110000000000010000000000000000000000000	31-01-029165
CN(c1c2-c(ccccc2)[nH]c1=O)N=C1C=CC=CC1=C=C	PC-id_89013527	289.331	FZECXPRHTCTAQM-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-029166
C[N+](=Nc1ccccc1C=C)c1c(nc2-c1ccccc2)[O-]	PC-id_136478322	289.331	YZEKRNBAHKVLBH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-029167
O=C(c1nnc2-c1ccccc2)N[C@@H]1CCc2c1cccc2	PC-id_140524657	289.331	OTSKCTAKAHGSMP-OAHLLOKOSA-N	00000010100000100111000000001010000000000000000000000000	31-01-029168
c12CN(CCCn1nc(CO)c2)C(=O)Cn1c(C)ccn1	EMOLS-id_55705620,MCULE-8481657100,PC-id_91795697	289.333	YQHHDOMSKFDXSN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029169
C1CCN=CNc2c(cnn2/C=CC1)C(=O)N1CC(C1)O	PC-id_137298474,SCHEMBL20015880	289.333	CGGKOZXLRYVKAT-XQRVVYSFSA-N	00001000100000000111000000000010000000000000000000000000	31-01-029170
c1(c(C)noc1C)C(=O)NC1CCc2n(c(nn2)C)CC1	PC-id_91922577,EMOLS-id_50590217,MCULE-9983457172	289.333	WYVBGDZIHFNXQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029171
c1(cc(oc1C)C)C(=O)NCc1nnc2CCNCCn12	ZINC22_299778321,PC-id_118759751,MCULE-2693289686,EMOLS-id_68908711	289.333	QHIILTWIBBHHHL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029172
c1(c[nH]nc1C(=O)OCC)CN1CCCn2cncc2C1	EMOLS-id_43096025,ZINC22_72144251,MCULE-9145845149,PC-id_56891580	289.333	WISKJIFFBHBAKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029173
c1(coc(CN)n1)C(=O)NCc1c2CCCCCc2[nH]n1	MCULE-6164236652,ZINC22_670462624,EMOLS-id_222782791	289.333	RCFFJDSVOYFSDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029174
Cc1cc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)no1	ZINC22_42497394,PC-id_93866946	289.333	CGPZQUKLFKXLFV-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-029175
Cc1cc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)no1	ZINC22_42497395,PC-id_93866947	289.333	CGPZQUKLFKXLFV-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029176
Cc1cc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)on1	ZINC22_29896049	289.333	QBYFWMULWOZPCW-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029177
Cc1cc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)on1	ZINC22_29896053	289.333	QBYFWMULWOZPCW-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-029178
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(c(=O)n1C)C	MCULE-1019450576,EMOLS-id_320110985	289.333	YCAPTYRDOYRECY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029179
CC1CN(CC(=O)Nc2noc(c2)C)Cc2c(C1)[nH]nc2	EMOLS-id_318885852	289.333	SZBIQQKUIHEPIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029180
CC1CN(CC(=O)Nc2onc(c2)C)Cc2c(C1)[nH]nc2	MCULE-6142149469,EMOLS-id_320052890	289.333	GQAYZVCXZYYLRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029181
Cc1nc(CCNC(=O)c2c3c(CCCCC3)[nH]n2)on1	EMOLS-id_323250364,MCULE-1084686691	289.333	ZCKFMTQUHWAJMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029182
Cc1nc(cc(=O)[nH]1)CN1CCCn2c(cc(n2)CO)C1	PC-id_136664914,EMOLS-id_55699967,MCULE-8628252944	289.333	YRXYWFZBVDVUOG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-029183
Cc1noc(c1)C(=O)NC(c1nnc2n1CCCCC2)C	PC-id_53514623,MCULE-6490632082,EMOLS-id_35699490	289.333	QBYFWMULWOZPCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029184
Cc1nonc1CC(=O)NCc1n[nH]c2c1CCCCC2	EMOLS-id_232831054,MCULE-8553853249,ZINC22_827856045	289.333	HHFOOPIWAFVUFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029185
Cc1onc(c1)C(=O)NC(c1nnc2n1CCCCC2)C	PC-id_45818940,EMOLS-id_31935318,MCULE-3112366683	289.333	CGPZQUKLFKXLFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029186
CCOC(=O)Oc1cc(c2-c1cccc(c2)S)CCC	SCHEMBL8335032,PC-id_17776120	290.377	GWZPTMUVTABBIZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029994
CC(c1ncon1)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_319672297	289.333	NZCBXDJGEHJAAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029187
CC(c1ncon1)CNC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_320195673,MCULE-2816943008	289.333	ASOJMRZWSJSZKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029188
CCc1nnc(o1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	MCULE-6044597239,EMOLS-id_316445296	289.333	IDCOKRNPKWZSLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029189
CCc1onc(c1)C(=O)NCc1nnc2n1CCCCC2	MCULE-9283293363,EMOLS-id_257990844	289.333	CAJGUJVQGBUCRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029190
CCc1onc(n1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318098259	289.333	WVUAIXWAWOOBBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029191
C=CCc1c(cn2c1CC(=NC=N2)N)C(=O)NCCOC	PC-id_143155830	289.333	ZLPDRCXCHRDENZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029192
C=CCN1CC(=O)N(Cc2nnc3n2CCCCC3)C1=O	PC-id_99797213,MCULE-1675871882,ZINC22_170613702,EMOLS-id_50572319	289.333	DSXJEVGYDGPILT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-029193
CCn1ncnc1CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100292073	289.333	PRBKWTASEBNXIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029194
CC(n1ncnc1NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_101718471	289.333	OZSNUVKADGCYTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029195
CCn1[nH]c(C)nc1=NC(=O)c1noc2c1CCCCC2	MCULE-5989472657,EMOLS-id_101679683,ZINC22_333985682	289.333	GINQQMNFKBFOBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029196
CCOCc1ncn2c1CN(C(=O)c1cc[nH]n1)CCC2	PC-id_97519999,ZINC22_96259919,EMOLS-id_44371374	289.333	SXHZLCVBGADHRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029197
CCOCc1nnn2c1CN(C(=O)c1ccc[nH]1)CCC2	EMOLS-id_44369420,ZINC22_96256050,PC-id_97517006	289.333	LZXAHCWWTPNQAJ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-029198
CC(=O)NCc1nnn2c1CN(CCC2)Cc1cocc1	PC-id_97405530	289.333	MRPANVHHGPXAJV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029199
[C@H]12CN(C[C@H]1C(=O)NC2=O)Cc1cc2n(CCCNC2)n1	EMOLS-id_43098735,PC-id_56892250,MCULE-7597038755,ZINC22_72145573	289.333	YAAKTIHNENBKGK-TXEJJXNPSA-N	00000010100000000101000000000110000000000000000000000000	31-01-029200
Cn1cccc1C(=O)NC1CCc2nn(C)c(=O)n2CC1	MCULE-2610942186,EMOLS-id_50590494,PC-id_91910830	289.333	JXPWHOANKPMNQJ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-029201
CN(C(=O)c1cnc2n1CCCCC2)CCc1ncon1	EMOLS-id_318940266	289.333	QQQFNCHTBKHQGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029202
CN(C(=O)c1conc1C)Cc1nnc2n1CCCCC2	EMOLS-id_319929095,MCULE-3836375185	289.333	FQERZQNEHZVTAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029203
CN(C(=O)c1noc2c1CCCCC2)Cc1nncn1C	EMOLS-id_99232468	289.333	RIXNDQWUNGRCFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029204
COc1cccc(CN2CCc3nn(C)c(=O)n3CC2)n1	PC-id_91922413,MCULE-6178004811,EMOLS-id_50589957	289.333	MPLWKOJTLYUGRA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029205
COc1n(C)ncc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319976331,MCULE-3696602674	289.333	ZWYNRTBEMVTCAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029206
COc1[nH]nc(c1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319064898	289.333	VKFCOKXSMDDBBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029207
COCC1CN(Cc2n(C1)ncn2)C(=O)c1cccn1C	PC-id_118739737	289.333	KFHVGYUZBHCTSY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-029208
COCCn1ncc(c1)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318280737	289.333	GSUSOPFCTXKGNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029209
COCC(=O)N1CCCn2c(Cn3cccc3)nnc2C1	EMOLS-id_44370840,ZINC22_96259646,PC-id_97519728	289.333	PVXJSGYVGRWJJZ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-029210
COCC(=O)N1CCCn2nnc(Cn3cccc3)c2C1	ZINC22_96259513,EMOLS-id_44370576,PC-id_97519596	289.333	BXTQULAWVNVFGN-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-029211
COCn1ncc(c1)NC(=O)c1cnc2n1CCCCC2	MCULE-3065343841,EMOLS-id_258105885	289.333	JOHITWMMBOVBNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029212
COCn1ncc(c1)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319839838	289.333	SKVAJONDVUBWGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029213
n12CCC(CCc1nnc2C)NC(=O)NCc1ccco1	EMOLS-id_50590223,MCULE-9832777473,PC-id_91910732	289.333	ZXANCIAJYUOZNN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029214
N1=C(CCC(=O)N1)C(=O)NCc1c2CCCCCc2[nH]n1	MCULE-7565669422,EMOLS-id_49881736,ZINC22_215659143,PC-id_77087318	289.333	PKFLROVPLQOKJC-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-029215
N#CC1(NC(=O)Cn2nc3n(c2=O)CCCCC3)CCC1	MCULE-7074590612,ZINC22_84544112,EMOLS-id_44562657,PC-id_71880878	289.333	IQGJAUBNERZSSV-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-029216
o1nc(cc1C(=O)NCCc1n2CCCCCc2nn1)C	PC-id_52181440	289.333	IJHUXUNKKPCWRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029217
O=C1CN(C(=O)N1Cc1nnc2n1CCCCC2)C1CC1	EMOLS-id_98730109	289.333	MKTAFESWZVXUTD-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-029218
O=C1N2CCCC2C(=O)N1Cc1nnc2n1CCCCC2	EMOLS-id_98928118	289.333	YEFMLBLYTJNTRM-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-029219
O=C1N2CCC[C@@H]2C(=O)N1Cc1nnc2n1CCCCC2	EMOLS-id_100283851	289.333	YEFMLBLYTJNTRM-SNVBAGLBSA-N	00000010100000000101000000000110000000000000000000000000	31-01-029220
O=C1N2CCC[C@H]2C(=O)N1Cc1nnc2n1CCCCC2	EMOLS-id_98928151	289.333	YEFMLBLYTJNTRM-JTQLQIEISA-N	00000010100000000101000000000110000000000000000000000000	31-01-029221
O=c1n(Cc2nn3CCCCCCc3n2)cc(c(=O)[nH]1)C	PC-id_484689	289.333	BYOQKNMBHHRHCN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-029222
O=C1NC(=O)C2C1CN(C2)Cc1nn2c(c1)CNCCC2	PC-id_76425329	289.333	YAAKTIHNENBKGK-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-029223
O=C(c1c[nH]c(=O)n1C)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318094168	289.333	CHNHUNUMQQBLSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029224
O=C(c1noc2c1CCCCC2)NC(c1nn[nH]c1)(C)C	EMOLS-id_316518600	289.333	PEEGGSDJRUDMJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029225
O=C(c1ocnc1C)NCCc1nnc2n1CCCCC2	EMOLS-id_100136725	289.333	KNWVCAIVAGIVSK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029226
OCC(c1[nH]ccn1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318850964	289.333	HGHRIITZAJXOFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029227
O=C(Cc1noc(c1)C)NCc1nnc2n1CCCCC2	EMOLS-id_99398835	289.333	LIVOVLNCVPCMGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029228
OCCn1ncc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319251676	289.333	VKAULBPIGXJQNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029229
O=C(N1CCCc2c(C1)cco2)NC(c1ncn(n1)C)C	EMOLS-id_99675002	289.333	LKVYFWAZJCHYJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029230
O=C(N1CCCc2c(C1)cnn2C)NCc1nocc1C	EMOLS-id_318868440	289.333	FEODVFSIGXTQJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029231
O=C(N1CCCn2c(C1)cc(n2)N)NC(c1ccco1)C	MCULE-5468328390,EMOLS-id_320223154	289.333	JIECQSKXXLVPMX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029232
O=C(N1CCCn2c(C1)cc(n2)N)NCc1ccoc1C	EMOLS-id_318872528	289.333	UGFNSHGYRBGBBN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029233
O=C(NCc1ccco1)NCc1nnc2n1CCCCC2	PC-id_45799329,MCULE-3151314432,EMOLS-id_31859007,ZINC22_44889580	289.333	ALEWYOOFFBADBW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029234
O=C(NCc1ccoc1)NCc1nnc2n1CCCCC2	ZINC22_43779914,MCULE-3549788020,EMOLS-id_31998178,PC-id_51083704	289.333	NHHQPMHPPAZMGP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029235
n12CCCCCc1nnc2C(=Cc1ccc(cc1)C#N)C#N	EMOLS-id_26092887,PC-id_4998446,MCULE-1385843105	289.334	KGHXLOBTYFLCDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029236
n12CCCCCc1nnc2/C(=C/c1cc(ccc1)C#N)/C#N	PC-id_25978602	289.334	OFCIUPSNIMKSNV-XNTDXEJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029237
n12CCCCCc1nnc2/C(=C/c1ccc(cc1)C#N)/C#N	PC-id_6244217,CoCoCo_3456369	289.334	KGHXLOBTYFLCDC-XNTDXEJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029238
n12CCCCCc1nnc2C(=Cc1cc(ccc1)C#N)C#N	PC-id_74486104	289.334	OFCIUPSNIMKSNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029239
N#Cc1ccc(cc1)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3456370	289.335	KGHXLOBTYFLCDC-GDNBJRDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029240
C1COc2n(C1)nc(c2)CNC1CCn2c(CC1)nnn2	MCULE-9150703848,EMOLS-id_319891792	289.336	LPTJDAZTWLANHU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-029241
c1([nH]nc(N)n1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	PC-id_56880055,MCULE-5415008867,EMOLS-id_43209839,ZINC22_71767609	289.336	WIEUIIBGMSJYAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029242
CCC(n1ccnc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_320123799,MCULE-8954942626	289.336	XOKPTKMZWIQVCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029243
CC(C(=O)NC1CCn2c(CC1)nnn2)Cn1ccnc1	EMOLS-id_319397318	289.336	ALETUILFCXUVJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029244
CC(n1cnc(c1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102177866	289.336	VARWXGLEVGCOCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029245
CCn1nc(cc1C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_318946541	289.336	IMAGHTQEIQXKML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029246
CCn1nncc1C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_97974205	289.336	OWRNUDCYCOGVFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029247
CC(n1nnc(n1)NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_258158182	289.336	ALNNVJZGUYYMHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029248
CN(C)Cc1nnc2CN(CCCn12)C(=O)c1c[nH]cn1	EMOLS-id_46182525,ZINC22_96084749,PC-id_97405572	289.336	KRKFRHWXNFHZQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029249
n1ncn(CCC(=O)NCc2c3CCCCCc3[nH]n2)n1	EMOLS-id_68892431,MCULE-3044602393,PC-id_118771323,ZINC22_299762102	289.336	KYIGKRBGYLOXNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029250
O=C(c1n[nH]c(c1)C(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102164536	289.336	IJMMYVBPDHCDAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029251
O=C(N1CCCn2c(C1)cc(n2)N)NCCn1cccn1	MCULE-5088878731,EMOLS-id_320144742	289.336	PGSKYNWQADMMAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029252
O=C(NCc1cc[nH]n1)NCc1nnc2n1CCCCC2	PC-id_51083703,ZINC22_48301651,MCULE-6004893769,EMOLS-id_31998176	289.336	OCHLEKIWIHXXPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029253
O=C(NC(c1n2CCCCCc2nn1)C)c1nc([nH]n1)C	PC-id_80383735	289.336	CZDARBKVIPMZPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029254
O=C(NCCc1n2CCCCCc2nn1)Nc1c[nH]nc1	PC-id_52216003	289.336	NDFJPBCKPYFCQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029255
FC(C(CNC(=O)c1cc2c(s1)CCCCC2)O)F	PC-id_103770346	289.341	LVLJEMJYBXJLEL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029256
OCC(CNC(=O)c1cc2c(s1)CCCCC2)(F)F	PC-id_104858008	289.341	UAQUWGCXIHKTPH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029257
COc1ccc(c(c1)F)Cn1cc2c(c1)CCCCC2O	PC-id_102877946	289.345	HRPMGJCMKVJIQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029258
COc1cccc(c1F)Cn1cc2c(c1)CCCCC2O	PC-id_104792932	289.345	NKOYTSKZUAZONF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029259
Fc1cc(Cn2cc3C(O)CCCCc3c2)ccc1OC	PC-id_83211518	289.345	LKWURYWFURDMOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029260
FC(CNC(=O)Nc1sc2c(n1)CCCCCC2)F	EMOLS-id_111889877	289.345	HYFURONBTVCDSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029261
Cc1c2c(c(n1CCCS(=O)(=O)O)C)OCCCO2	PC-id_88543917,SCHEMBL9971710	289.348	NLBJIWSZWUABSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029262
CC1CN(CCOc2cccc(c2)F)Cc2c(C1)[nH]nc2	EMOLS-id_319225101	289.348	OZPKLIRJWQYWSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029263
COc1ccc(cc1CN1CC(C)Cc2c(C1)cn[nH]2)F	EMOLS-id_320072513,MCULE-2779414363	289.348	ZUGYUIBYTCBCOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029264
COc1ccc(cc1F)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319772469	289.348	KHYLUPRYAFFQSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029265
COCC1CN(Cc2cccc(F)c2)Cc2ccnn2C1	EMOLS-id_44326825	289.348	CCLPLEFHZONVAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029266
COCC1CN(Cc2ccc(F)cc2)Cc2ccnn2C1	EMOLS-id_44326789	289.348	ZVKVXYXIUUCQLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029267
COCC1CN(Cc2ccc(F)cc2)Cc2nccn2C1	EMOLS-id_46148423	289.348	DPQINHMCFUREST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029268
COC[C@H]1CN(Cc2cccc(F)c2)Cc2ccnn2C1	PC-id_97463339,ZINC22_96188914	289.348	CCLPLEFHZONVAB-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029269
COC[C@@H]1CN(Cc2cccc(F)c2)Cc2ccnn2C1	PC-id_97463340,ZINC22_96188915	289.348	CCLPLEFHZONVAB-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029270
COC[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccnn2C1	PC-id_97463316,ZINC22_96188891	289.348	ZVKVXYXIUUCQLD-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029271
COC[C@H]1CN(Cc2ccc(F)cc2)Cc2ccnn2C1	ZINC22_96188890,PC-id_97463315	289.348	ZVKVXYXIUUCQLD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029272
COC[C@H]1CN(Cc2ccc(F)cc2)Cc2nccn2C1	PC-id_97381726,ZINC22_96059073	289.348	DPQINHMCFUREST-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029273
COC[C@@H]1CN(Cc2ccc(F)cc2)Cc2nccn2C1	ZINC22_96059074,PC-id_97381727	289.348	DPQINHMCFUREST-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029274
FCCc1ccc(OCc2nnc3n2CCCCC3)cc1	MCULE-3527696789,ZINC22_1775993379,EMOLS-id_317051204	289.348	ZHDWSIMPFMTCBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029275
O=C1NC(=CCc2c1cc(s2)C(=O)O)CC1=CCCC1	PC-id_143692490	289.349	LOCYEJJAJQWKHA-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-029276
OC(=O)C1CCCCn2c1ccc2C(=O)c1cccs1	PC-id_20483783,SCHEMBL11196545	289.349	DKTHIVWMIZKEEZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-029277
s1c2CCCCCc2cc1C(=O)c1cc([nH]c1)C(=O)O	PC-id_43463461	289.349	TYBFYXWCTVWZLE-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-029278
O=C1CCCCc2c1ccn2S(=O)(=O)c1ccccc1	PC-id_142195881	289.35	QPPJPETUYWGWLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029279
CC(c1ncccc1F)NCc1nnc2n1CCCCC2	EMOLS-id_318680497,MCULE-9443255198	289.351	SGVZGCUNMBOPRE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029280
CC(Cc1ccccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_318247743,MCULE-6143426152	289.351	NGDTVSOXGXTECE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029281
CC(Cc1ccc(cc1)F)NC1CCn2c(CC1)nnn2	EMOLS-id_318251830,MCULE-2744681247	289.351	IHMBGHAKEHMHSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029282
CCCCCn1c(=O)n2n(c1=O)CCS(=O)(=O)CC2	SCHEMBL9836273,PC-id_67938205	289.351	FKGIIKNCUKWLFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029283
Fc1ccc(cc1)C(CNC1CCn2c(CC1)nnn2)C	EMOLS-id_318066859,MCULE-9004061483	289.351	ZVKYYHNLRKTYAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029284
Fc1ccc(nc1)C(NCc1nnc2n1CCCCC2)C	MCULE-9903130593,EMOLS-id_318062039	289.351	VXVPHLWIQSQCLT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029285
Fc1cncc(c1)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_317961161,MCULE-3243830858	289.351	ZMNZMEFKSVCINI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029286
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Oc1ccnc(c1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-4379029237,EMOLS-id_320328965	289.353	WQLHUFOEBRFGAZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029292
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O=C(c1cc2c(s1)CCCCC2)Nc1c(C)[nH]nc1C	EMOLS-id_110180228,PC-id_43546377	289.396	NUJRCMCLJXVIQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029483
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O=C(c1cc2c(s1)CCCCC2)NC(c1c[nH]nc1)C	MCULE-2647496318,EMOLS-id_313144085,PC-id_103856685	289.396	JESRQZXEUUMEFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029485
O=C(c1cc2c(s1)CCCCC2)NC(c1ncc[nH]1)C	PC-id_116337877	289.396	INICJFIWXBTQIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029486
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OCc1ccc(cc1)CSc1nnc2n1CCCCC2	PC-id_110005009	289.396	NZBLQSKPLHHPFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029489
OCc1cc(C)ccc1Sc1nnc2n1CCCCC2	PC-id_108220801	289.396	NWEDUMCWUKCCQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029490
O=C(c1cc[nH]c1C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111707779	289.396	VQCYBWSAYILKPR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-029491
O=C(c1[nH]ccc1C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111826033	289.396	UBRNJCLISAUCQP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-029492
O=C(c1sc2c(c1)CCCCCC2)Nc1[nH]ncc1C	PC-id_115629881	289.396	JBDIHVBINUPGSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029493
O=C/C(=C(CN(Nc1nc2c(s1)CC=CC=C2)C)/C)/C	SCHEMBL20880347,PC-id_138527423	289.396	LHAPTZFFCQYGLR-QXMHVHEDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029494
O=C(Cn1cc2c(n1)CCCCC2)NCc1cccs1	ChEMBL-DNDi_CHEMBL1718654,PC-id_5307450	289.396	WBLDLXHWLBZWIV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-029495
O=C(N1CCCc2c(C1)ccs2)CCc1nccn1C	EMOLS-id_319191491	289.396	DRCWWPVTGVBNNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029496
O=C(N1CCCc2c(C1)ccs2)CC(n1cncc1)C	EMOLS-id_318119842	289.396	ZQFBFILJXKMBCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029497
O=C(N1CCCCc2c1sc(n2)C)CCn1cccc1	EMOLS-id_319170919	289.396	YYSKCFWYNPSFFA-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-029498
O=C(N1CCCCc2c1sc(n2)C)C(n1cccc1)C	EMOLS-id_320212565,MCULE-9474954976	289.396	JHLHUZONGRJRHO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-029499
O=C(NCCn1ccnc1)c1cc2c(s1)CCCCC2	EMOLS-id_35692146,PC-id_47143591,MCULE-1502683675,ZINC22_41979428	289.396	YIHWAPVPYLVGTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029500
s1c2c(CCCCC2)cc1C(=O)N1C(CNCC1)C#N	PC-id_79085179	289.396	ZRXYFHLGVSBOPS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029501
s1c2CCCCCc2cc1C(=O)NCc1c([nH]nc1)C	PC-id_60768056	289.396	UHNSFGAPLWGWRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029502
s1c2CCCCCc2cc1C(=O)N(Cc1c[nH]nc1)C	PC-id_64054605	289.396	GBQCIXCHXSUJGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029503
s1c2CCCCCc2cc1C(=O)NCCc1[nH]cnc1	PC-id_64195664	289.396	GEPIHQBZWWDOAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029504
s1c2c(CCCCC2)c(c1NC(=O)C1CCNC1)C#N	PC-id_63005480	289.396	SMVJTDMPJCEDHM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-029505
s1c2c(CCCCC2)c(c1NC(=O)C1NCCC1)C#N	PC-id_60710475	289.396	SRLMNXXQZOWDSK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-029506
s1c2c(CCCCC2)c(c1NC(=O)C1(N)CCC1)C#N	PC-id_81171932	289.396	HVXNZRMPHMHEPM-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-029507
s1c2c(CCCCC2)c(c1NC(=O)CC1CNC1)C#N	PC-id_64611623	289.396	TVODWJRNVLSZBE-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-029508
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1NCCC1)C#N	PC-id_61260946	289.396	SRLMNXXQZOWDSK-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-029509
s1c2c(CCCCC2)c(c1NC(=O)CNC1CC1)C#N	PC-id_60647166	289.396	ZTVKALCQSYQGSR-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-029510
s1c2CCCCCc2c(c1NC(=O)CNCC=C)C#N	PC-id_78908505	289.396	AWFQVHKWDXEKIJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029511
s1c2CCCCCc2c(c1NC(=O)C(N)CC=C)C#N	PC-id_81775823	289.396	OUPDDGODYFBLGV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029512
s1c2CCCCCCc2cc1C(=O)Nc1n[nH]c(c1)C	PC-id_47215992	289.396	GVQREWAUYOALEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029513
s1c2CCCCCCc2cc1C(=O)NCc1c[nH]nc1	PC-id_60736196	289.396	NGQZKOIYQYPXBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029514
s1c2CCCCCCc2cc1C(=O)NCc1[nH]ccn1	PC-id_64176829	289.396	JTARRKGUIOPFTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029515
s1c2CCCCCCc2cc1C(=O)NCc1[nH]cnc1	PC-id_65690202	289.396	ACMDWRZFXCAUST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029516
s1c2CCCCCCc2cc1C(=O)NCc1[nH]ncc1	PC-id_47205292	289.396	RFSHMPUBTCKLPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029517
s1c2CCCCCCc2nc1NC(=O)c1n(ccc1)C	PC-id_56022745	289.396	IIWKFPSQWOIFPX-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-029518
S(c1n2CCCCCc2nn1)c1cc(c(cc1)CO)C	PC-id_63813537	289.396	PDCFOSQSFVEEGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029519
S(c1n2CCCCCc2nn1)c1c(cc(cc1)CO)C	PC-id_63814596	289.396	NMBYQQVQIFWSDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029520
S(c1n2CCCCCc2nn1)c1ccc([C@H](O)C)cc1	PC-id_63813993	289.396	QOPMDJAKMRMRSJ-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029521
S(c1n2CCCCCc2nn1)c1ccc([C@@H](O)C)cc1	PC-id_78951998	289.396	QOPMDJAKMRMRSJ-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-029522
S(c1n2CCCCCc2nn1)c1ccc(C(O)C)cc1	PC-id_63814456	289.396	QOPMDJAKMRMRSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029523
S(c1n2CCCCCc2nn1)c1c([C@@H](O)C)cccc1	PC-id_63814300	289.396	QBEXCAUGOVGRME-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-029524
S(c1n2CCCCCc2nn1)c1c([C@H](O)C)cccc1	PC-id_78951856	289.396	QBEXCAUGOVGRME-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029525
S(c1n2CCCCCc2nn1)c1c(C(O)C)cccc1	PC-id_63813536	289.396	QBEXCAUGOVGRME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029526
S(c1n2CCCCCc2nn1)CC(O)c1ccccc1	PC-id_60670793	289.396	PQTXUJIYERCEHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029527
C1CCn2c(CC1)ncc2CNc1nnc(s1)C1CC1	MCULE-5591319909,EMOLS-id_318638496	289.399	PEVCGGLPUZCZLD-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-029528
C1CCn2c(CC1)ncc2CNc1snc(n1)C1CC1	MCULE-4592785307,EMOLS-id_318402700	289.399	SAYUXHCSFHJGSX-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-029529
CC(c1cccnc1Sc1nnc2n1CCCCC2)N	PC-id_108229765	289.399	OYTLMHDMYTXJPP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029530
C[C@@H](c1cccnc1Sc1nnc2n1CCCCC2)N	PC-id_108229768	289.399	OYTLMHDMYTXJPP-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-029531
C[C@H](c1cccnc1Sc1nnc2n1CCCCC2)N	PC-id_108229770	289.399	OYTLMHDMYTXJPP-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029532
CCNc1nccc(c1)Sc1nnc2n1CCCCC2	PC-id_104037204	289.399	JENBWJAKULDDJU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029533
CNCc1cccnc1Sc1nnc2n1CCCCC2	PC-id_108233346	289.399	IJLHZRVOORGAFD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029534
NCc1cc(nc(c1)C)Sc1nnc2n1CCCCC2	PC-id_114769858	289.399	TVFVRMXUMHRMDV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029535
NCCc1cccnc1Sc1nnc2n1CCCCC2	PC-id_108236120	289.399	XXMQAYCHMWCIFS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029536
S(c1n2CCCCCc2nn1)c1ccc(nc1)[C@H](N)C	PC-id_83123562	289.399	GRIKPGFTBYHXHR-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029537
S(c1n2CCCCCc2nn1)c1ccc(nc1)[C@@H](N)C	PC-id_83123644	289.399	GRIKPGFTBYHXHR-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-029538
S(c1n2CCCCCc2nn1)c1ccc(nc1)C(N)C	PC-id_83123723	289.399	GRIKPGFTBYHXHR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029539
S(c1n2CCCCCc2nn1)c1ncc(cc1C)CN	PC-id_80640217	289.399	GXYWUMONYRZGSQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029540
S(c1n2CCCCCc2nn1)c1nc(ccc1CN)C	PC-id_61655810	289.399	JKUUEGBLSZXFCI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029541
S(c1n2CCCCCc2nn1)c1nccc(c1CN)C	PC-id_81747017	289.399	HNWODXUNOBQBTC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029542
S(c1n2CCCCCc2nn1)c1nccc([C@H](N)C)c1	PC-id_80339613	289.399	DGOUXRNTUQILEJ-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029543
S(c1n2CCCCCc2nn1)c1nccc([C@@H](N)C)c1	PC-id_80339761	289.399	DGOUXRNTUQILEJ-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-029544
S(c1n2CCCCCc2nn1)c1nccc(C(N)C)c1	PC-id_80339474	289.399	DGOUXRNTUQILEJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029545
S(c1n2CCCCCc2nn1)c1ncc(CCN)cc1	PC-id_80651048	289.399	LFEJFVBOMQJINC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029546
S(c1n2CCCCCc2nn1)c1ncc([C@H](N)C)cc1	PC-id_81900478	289.399	AVRNAZYHMGWCFT-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029547
S(c1n2CCCCCc2nn1)c1ncc([C@@H](N)C)cc1	PC-id_81900498	289.399	AVRNAZYHMGWCFT-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-029548
S(c1n2CCCCCc2nn1)c1ncc(CNC)cc1	PC-id_80640117	289.399	OCMNPJHTHARKIM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029549
S(c1n2CCCCCc2nn1)c1ncc(C(N)C)cc1	PC-id_81900517	289.399	AVRNAZYHMGWCFT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029550
S(c1n2CCCCCc2nn1)c1nc(NCC)ccc1	PC-id_80882874	289.399	QHDXDOSXJUXKPF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029551
S(c1n2CCCCCc2nn1)Cc1ccc(nc1)NC	PC-id_62188055	289.399	BJHGPVNPEGRXPG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029552
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S(c1n2CCCCCc2nn1)Cc1cc(ncc1)NC	PC-id_62467128	289.399	POCJCZNWJYVYQG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029554
S(c1n2CCCCCc2nn1)Cc1c(nccc1)CN	PC-id_62894376	289.399	IWPBBRSXQBNFFD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029555
S(c1n2CCCCCc2nn1)Cc1c(NC)nccc1	PC-id_62466953	289.399	OVSFYTFBQFGEPL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029556
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S(c1n2CCCCCc2nn1)Cc1nc(NC)ccc1	PC-id_79239911	289.399	BEYJNFRLWJEKBX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029558
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S(c1n2CCCCCc2nn1)C(CN)c1ccncc1	PC-id_61646480	289.399	XKCCBCRHIFNWAO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029560
S(c1n2CCCCCc2nn1)C(CN)c1ncccc1	PC-id_61640973	289.399	CGKGAOXTTFDZRP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029561
Cc1ccc(c(c1)C(c1cc2c(s1)CCCCC2)N)F	PC-id_115852906	289.411	ZRORUWREAXXXDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029562
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CNC(c1ccccc1F)c1cc2c(s1)CCCCC2	PC-id_115828100	289.411	HEJKKPGYIALRHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029565
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c12ccsc1SCCN(Cc1ccccc1C)C2=O	PC-id_1488894,MCULE-6142662775,EMOLS-id_42620041,ChEMBL-DNDi_CHEMBL1499458,CHEMBL1499458,ZINC22_1403647	289.416	RGVLMVWXXSUQOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029577
c12ccsc1SCCN(Cc1cccc(C)c1)C2=O	CHEMBL1542476,ChEMBL-DNDi_CHEMBL1542476,ZINC22_1403645,EMOLS-id_42620043,MCULE-9360492155,PC-id_1488893	289.416	JJQWKNIRKNHYAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029578
C1CCN(CC1)CCCN1CCCCc2c1cc([nH]2)C=O	SCHEMBL6766463,PC-id_88039544	289.416	YWHXRDQDKOADQD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-029579
c1(C(=O)NC2CCCCCCC2)c2CCCCCc2[nH]n1	MCULE-3365796102,EMOLS-id_323249087	289.416	BJHAEAWNFIKXII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029580
CC1CCCCC1CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_102856758	289.416	DNZXHWGYIMYAID-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029581
CC1CCC(CC1)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318873813	289.416	FLXGKROVUROIOR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029582
CC1CC(C)CC(C1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_102920521	289.416	KLAKZJODMBFHGV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029583
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(C)CCCCCC1	EMOLS-id_318781519	289.416	FLKWZOHWXCEZPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029584
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCCCCC1	EMOLS-id_320131884,MCULE-3719899652	289.416	ALWSPPKIZXURDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029585
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(C1CCCC1)(C)C	EMOLS-id_318820041	289.416	NSRFFMZOCJFGRZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-029586
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1CCCCC1C	MCULE-6801153628,EMOLS-id_316960114	289.416	LWVWYNFQLDBTGT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029587
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1(C)CCCCC1	MCULE-9536885046,EMOLS-id_320245046	289.416	OMOZACUQFUTHLW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029588
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCC1CCCCC1	EMOLS-id_320265860,MCULE-4281483119	289.416	FQLXEKUCLDVYBQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029589
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1C[C@H]1CC(C)(C)C	EMOLS-id_318812506	289.416	KFMQWSCHYVUGAM-VBVNFKHJSA-N	00100000100000000101000000000010000000000000000000000000	31-01-029590
CCC1(CCCCC1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_102858536	289.416	SRPHCOJOCQRKKF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029591
CC(CC1(CCC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319525671	289.416	BXYZLHDDRVXXMA-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-029592
CC(CC(=C)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C)C	EMOLS-id_319393625	289.416	RSQVVNDJFPIBHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029593
CC[C@@H]1CC[C@H](CC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319319006	289.416	ZAHZLGXHGSWEJK-KAOCOCSGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029594
C[C@@H]1Cc2n[nH]cc2CN(C(=O)C[C@@H]2CCCC[C@H]2C)C1	ZINC22_952993937	289.416	LWVWYNFQLDBTGT-MCIONIFRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029595
C[C@@H]1Cc2n[nH]cc2CN(C(=O)C[C@H]2CCCC[C@H]2C)C1	ZINC22_952993939	289.416	LWVWYNFQLDBTGT-MGPQQGTHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029596
C[C@H]1CCCC[C@@H]1CC(=O)N1Cc2c[nH]nc2C[C@@H](C)C1	ZINC22_952993936	289.416	LWVWYNFQLDBTGT-HZSPNIEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029597
C[C@H]1CCCC[C@H]1CC(=O)N1Cc2c[nH]nc2C[C@@H](C)C1	ZINC22_952994072	289.416	LWVWYNFQLDBTGT-RDBSUJKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029598
CCn1ccc2c1CCCN(C2=O)CCN1CCCCC1	PC-id_140547642	289.416	XXMWSEFHVGQQET-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-029599
O=C(C1(C)CCCCCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_102920524	289.416	INEJCZDSZYYLFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029600
O=C(C(C1CCCC1)(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_102920512	289.416	QQBWWHTVIPGMCM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-029601
O=C(Cn1cc2c(n1)CCCCC2)NC1CCCCCC1	ChEMBL-DNDi_CHEMBL1422074,CHEMBL1422074,PC-id_5309486	289.416	RIQRFNSVNTUXAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029602
O=C(N1CCc2c(CC1)nc[nH]2)CCCC1CCCCC1	PC-id_142022568	289.416	BADUBZKKWIKVHS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029603
O=C(N1CCCC1)Cn1cc2C(NCC)CCCCc2c1	PC-id_83211928	289.416	HQYPUBWKULPGCX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-029604
O=C(N1CCCc2c(C1)cnn2C)C1CCC(CC1)(C)C	EMOLS-id_102858852	289.416	QVNZCTQBNRWQJF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029605
O=C(N1CCCc2c(C1)cnn2C)C1CCCC(C1)(C)C	EMOLS-id_102920509	289.416	QHMWPEHIXAIISC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029606
O=C(N1CCCc2c(C1)cnn2C)CC1CCCCCC1	EMOLS-id_102858840	289.416	ZZAVGBWCEQEWGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029607
O=C(N1CCCc2c(C1)cnn2C)CC1(C)CCCCC1	EMOLS-id_102920506	289.416	DYDINDSDJZJGGN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029608
O=C(N1CCCc2[nH]cnc2CC1)CCC1CCCCC1	PC-id_20803067	289.416	MHGFOPIICSAOQD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029609
O=C(N1CCCCC1)Cn1cc2C(NC)CCCCc2c1	PC-id_83210595	289.416	QBUMILVWTUXTCB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-029610
O=C(N1CCCCCC1)Cn1cc2C(N)CCCCc2c1	PC-id_83211910	289.416	FMUPVWCMPDCQHN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029611
O=C(N(C1CC1)CC)Cn1cc2C(NC)CCCCc2c1	PC-id_83210586	289.416	FVZDLJHMKCOIDS-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-029612
O=C(N(C1CC1)C)Cn1cc2C(NCC)CCCCc2c1	PC-id_83209846	289.416	SSVTVFJFGIJZGI-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-029613
O=C(NC1CC1)CCn1cc2C(NCC)CCCCc2c1	PC-id_83211156	289.416	URKKLMRCPRRRCA-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-029614
O=C(NC1CC1)Cn1cc2C(NCCC)CCCCc2c1	PC-id_83211949	289.416	BKZAEGKATNRBPV-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-029615
O=C(NC1CCCC1)Cn1cc2C(NC)CCCCc2c1	PC-id_83210222	289.416	IRYKZTUNSWKAKQ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-029616
O=C(NC1CCC(CC1)C)Cn1nc2c(CCCCC2)c1	PC-id_20892460	289.416	YINYORPPMGKABT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029617
O=C(NC1C(CCCC1)C)Cn1nc2c(CCCCC2)c1	PC-id_6620425	289.416	ZMUAOXACVACFQF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-029618
O=C(NC1CCCCC1)Cn1cc2C(N)CCCCc2c1	PC-id_83212083	289.416	PLJMXHWPHOUHJC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-029619
O=C(NCC1CC1)Cn1cc2C(NCC)CCCCc2c1	PC-id_83211929	289.416	SFDXYESNPVZRKT-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-029620
C1CCC(C1)NCc1nnc2n1CCCN(C2)CC1CC1	PC-id_97405590	289.419	MFRBXNXHNQDYCB-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-029621
CC(c1nnc2n1CCCCC2)NC1CCN2CC1CC2	PC-id_105364287	289.419	JSPJTJHHXFTSQQ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-029622
CN1[C@H]2CC[C@@H]1CCN(Cc1cc3n(n1)CCCNC3)C2	ZINC22_75918632	289.419	UCHWMERQPLVHJA-CABCVRRESA-N	00000010100000000101000000000010000000000000000000000000	31-01-029623
CN1[C@H]2CC[C@@H]1CN(Cc1cc3CNCCCn3n1)CC2	MCULE-3843477717,ZINC22_72130775,PC-id_56886042,EMOLS-id_43073391	289.419	UCHWMERQPLVHJA-LSDHHAIUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-029624
N12C(C(NC(c3n4CCCCCc4nn3)C)CC1)CCC2	PC-id_82824223	289.419	SSYGEXMDTKJLCC-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-029625
N1(C2CC2)CC(NC(c2n3CCCCCc3nn2)C)CC1	PC-id_62981310	289.419	NLWKQKBUWSLXRZ-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-029626
N1(C2CCC1CN(CC2)Cc1nn2c(c1)CNCCC2)C	PC-id_76423794	289.419	UCHWMERQPLVHJA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-029627
N#CCCC(CNC(c1nnc2n1CCCCC2)C)(C)C	PC-id_116222264	289.419	TZVASWIULVOPQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029628
CCCNC(c1cc2c(s1)CCCCC2)c1cocc1	PC-id_115855474	289.436	BAOUZDLOSVONNZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-029629
CCNC(c1cc2c(s1)CCCCC2)Cc1ccco1	PC-id_105029104	289.436	DFSLIXYQEXOVHI-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-029630
CCNC(c1cc2c(s1)CCCCC2)Cc1cocc1	PC-id_105029676	289.436	FWDAEJZICVFCMG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-029631
s1c2c(CCCCC2)cc1C(NC)c1c(oc(c1)C)C	PC-id_61717509	289.436	AAEGQELXASVMKB-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-029632
s1c2c(CCCCC2)cc1C(NC)c1oc(cc1)CC	PC-id_62344801	289.436	ZZYCLUFBHAUJKS-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-029633
s1c2c(CCCCC2)cc1C(NCC)c1oc(cc1)C	PC-id_61716477	289.436	LJMNJAVPRGSYTJ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-029634
s1c2c(CCCCC2)cc1C(NCCC)c1occc1	PC-id_61713301	289.436	LPJODZJVPLHUOD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-029635
s1c2c(CCCCC2)cc1C(O)c1[nH]c(c(c1C)C)C	PC-id_63926881	289.436	ROVCLKRYTDVXTO-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-029636
s1c2c(CCCCCC2)cc1C(=O)N1CCC(=C)CC1	PC-id_56537847	289.436	MBQVVJASOGFTHV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-029637
s1c(C(=O)N(C2CC2)CC2CC2)cc2c1CCCCC2	PC-id_56486907	289.436	YJTCQYFWAQNDKX-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-029638
O=C(n1cc2c(c1)CSSSC2)OC(C)(C)C	PC-id_139913239	289.437	SIVOVZQXRMHDLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029639
Cc1nn(c(c1)CC(c1cc2c(s1)CCCCC2)N)C	PC-id_104996430	289.439	BKQMYVJHPGWTRR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029640
CCCn1ncc(c1)C(c1cc2c(s1)CCCCC2)N	PC-id_115808209	289.439	KDYNRXLAAYRNPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029641
CCCn1nccc1C(c1cc2c(s1)CCCCC2)N	PC-id_115857738	289.439	ZZZOTZIXOZVDPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029642
CCCNC1CCCCc2c1cn(c2)Cc1cncs1	PC-id_115979125	289.439	GVLVZLXUDTZCFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029643
CCn1ccnc1CC(c1cc2c(s1)CCCCC2)N	PC-id_105009510	289.439	CDKBTHHBUBIGMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029644
CCn1ncc(c1)C(c1cc2c(s1)CCCCC2)NC	PC-id_115816166	289.439	WDXIRXZWYWUJLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029645
CCn1nccc1C(c1cc2c(s1)CCCCC2)NC	PC-id_115858157	289.439	HGAZZENOZJROOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029646
CCn1ncc(c1)CC(c1cc2c(s1)CCCCC2)N	PC-id_115822894	289.439	QAYXOFRXEKSFDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029647
CCNC(c1ccn(n1)C)c1cc2c(s1)CCCCC2	PC-id_103134959	289.439	PSFRQLKHAQERRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029648
CCNC(c1ccnn1C)c1cc2c(s1)CCCCC2	PC-id_115858345	289.439	RIYPBRZEKXDESO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029649
Cn1ncc(c1)CCC(c1cc2c(s1)CCCCC2)N	PC-id_103030055	289.439	MTBFXBDACSHKHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029650
CNC(c1cc2c(s1)CCCCC2)Cc1ccn(n1)C	PC-id_105025571	289.439	YVWUJYUCZBAQBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029651
CNC(c1cc2c(s1)CCCCC2)Cc1cnn(c1)C	PC-id_115821761	289.439	VLRJCWKUPAWZQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029652
CNC(c1cc2c(s1)CCCCC2)Cc1nccn1C	PC-id_105011528	289.439	JTDKZBDTJPABIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029653
NC(c1cc2c(s1)CCCCC2)CCc1ccnn1C	PC-id_103030832	289.439	VJZQHHWSNOIIKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029654
NC(c1cc2c(s1)CCCCC2)CCc1nccn1C	PC-id_105050128	289.439	SRJWGQZQMSBCHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029655
s1c2c(CCCCC2)cc1C(N)c1n(CCC)ccn1	PC-id_61314217	289.439	KVQXDSRBHNUSOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029656
s1c2c(CCCCC2)cc1C(NC)c1n(CC)ccn1	PC-id_61316904	289.439	VWZCRUGWQKXNON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029657
s1c2c(CCCCC2)cc1C(NCC)c1cn(nc1)C	PC-id_43492382	289.439	HRGPPROYIDNTRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029658
s1c2c(CCCCC2)cc1C(NCC)c1n(ccn1)C	PC-id_61315955	289.439	RXDVOJKBZYPLMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029659
s1c2c(CCCCC2)cc1C(NCC)Cc1[nH]ccn1	PC-id_43493325	289.439	AIZVJZTVMTUSMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029660
s1c(CCn2cc3C(NC)CCCCc3c2)c(nc1)C	PC-id_83207961	289.439	SJFZQUCOHFATDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029661
s1c(Cn2cc3C(NCC)CCCCc3c2)cnc1C	PC-id_83212918	289.439	IICUYAYOYMIWPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029662
s1cc(nc1CCC)Cn1cc2C(N)CCCCc2c1	PC-id_83208445	289.439	JWOLKACEXSRTTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029663
s1cc(nc1CC)Cn1cc2C(NC)CCCCc2c1	PC-id_83208982	289.439	HYQYEEKHGMBSKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029664
s1cc(nc1C)Cn1cc2C(NCC)CCCCc2c1	PC-id_83213236	289.439	CGKFVKGFCMVKJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029665
s1cc(nc1)Cn1cc2C(NCCC)CCCCc2c1	PC-id_83212338	289.439	YCSFTYKQCOCFQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029666
s1c(nc(c1C)C)Cn1cc2C(NC)CCCCc2c1	PC-id_83207876	289.439	CNEZWFBJYDGYQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029667
s1c(nc(c1)C)Cn1cc2C(NCC)CCCCc2c1	PC-id_83213162	289.439	IOLNSMKNKMLSGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029668
s1c(ncc1)Cn1cc2C(NCCC)CCCCc2c1	PC-id_83213087	289.439	FPCWVWDIBCZHRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029669
s1c(nc(Cn2cc3C(N)CCCCc3c2)c1)C(C)C	PC-id_83208507	289.439	LAFCYLAEJKIVNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029670
O=C1c2c(CCCC1)cn(CCCCCCCCCC)c2	PC-id_83206838	289.456	XWQOKSANSQTMRC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029671
CNC1CCCCc2c1cn(c2)CCC1CCCCN1C	PC-id_107913111	289.459	AJYQHXGLACSKCC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-029672
N1(CCCC1)CCCn1cc2C(NCC)CCCCc2c1	PC-id_83210948	289.459	VKODTDZNNUPZBS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-029673
N1(CCn2cc3C(NCC)CCCCc3c2)CCCCC1	PC-id_83209266	289.459	ZWPJBSLROZZJCW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-029674
N1(CCn2cc3C(NCCC)CCCCc3c2)CCCC1	PC-id_83209669	289.459	WAJMQSVJQYOLPI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-029675
C#CCCCC(c1cc2c(s1)CCCCC2)NCCC	PC-id_105033779	289.479	QUFPKYYBRQEFBX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029676
CCCNC(c1cc2c(s1)CCCCC2)CCC#CC	PC-id_105037225	289.479	SDMNNVSMDXBGKU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029677
NC(c1cc2c(s1)CCCCC2)C1=CCCCCCC1	PC-id_106656354	289.479	MGPGAQOXPBHSKV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-029678
NC(c1cc2c(s1)CCCCC2)CC1CC2CC1CC2	PC-id_105012912	289.479	JISAVANDIWUKRE-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-029679
s1c(C(NC)C2=CCCCCC2)cc2c1CCCCC2	PC-id_63504521	289.479	AVVMQOVNKYAMBQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-029680
s1c(C(NCC)C2=CCCCC2)cc2c1CCCCC2	PC-id_63506460	289.479	HCRRAYQHIMHUMR-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-029681
s1c(C(NCCC)C2=CCCC2)cc2c1CCCCC2	PC-id_63506143	289.479	LAZUZPPHMNJJNC-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-029682
Ic1c2-c(nc1Cl)ccccc2	PC-id_71442460	289.5	UKVULMWRAVIGDW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029683
Clc1ccc(cc1)CN1C(=O)CNC(=O)c2c1cc[nH]2	PC-id_101095153	289.717	AYUFYQKJZXSFRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029684
c1(C(=O)Nc2cccc(Cl)c2)c2CCCCCc2[nH]n1	MCULE-2129172209,EMOLS-id_323251639	289.76	COIWAPXFZZVFQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029685
Cc1ccc(cc1Cl)C(=O)N1CCCn2cncc2C1	ZINC22_72125268,PC-id_56883193,MCULE-2899682612,EMOLS-id_43061722	289.76	MZOLDKCKALKJPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029686
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)Cl	EMOLS-id_319796669	289.76	JOTPNRGCUUEKSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029687
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)Cl	EMOLS-id_320259438,MCULE-9591993583	289.76	WDZABVVIQRLDIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029688
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1Cl	EMOLS-id_320319256,MCULE-9680497428	289.76	KKKSRXOMJRZADR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029689
Clc1ccccc1NC(=O)c1n[nH]c2CCCCCc12	MCULE-5553473359,EMOLS-id_323255731	289.76	XWLHJRIYRBVMFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029690
Clc1ccc(C(=O)N2CCCc3[nH]cnc3CC2)cc1	PC-id_20803076	289.76	JSDYNZCEANQCRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029691
Clc1ccc(NC(=O)c2n[nH]c3CCCCCc23)cc1	TIMTEC70373,EMOLS-id_6825595,MCULE-2426165182,PC-id_5300661,ZINC22_4625935	289.76	BCGSWRRLMUHCGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029692
O=Cc1nn2c(c1)CN(CCC2)Cc1ccc(cc1)Cl	PC-id_144720784	289.76	XFSKEJVERBIHGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029693
CCOC(=O)N1CCc2c(CC1)sc(c2OC)Cl	PC-id_68469876,SCHEMBL2994362	289.778	VLLSWIBDVANRPX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029694
ClCc1nc2c([nH]1)C=C(CC=C2)S(N(C)C)(O)O	PC-id_143712619	289.782	ZXRTUQXDHZLPBL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029695
Cc1ccc(c(c1)Cl)Cn1cc2c(c1)CCCCC2O	PC-id_106865858	289.8	PLDVSEUKJCOOMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029696
ClCCCC(=O)c1sc2c(c1)C(=O)NCCS2	SCHEMBL8991820,PC-id_21472056	289.801	IMRKPABGEWLZPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029697
Clc1c(Cn2cc3C(NC)CCCCc3c2)ccnc1	PC-id_83208981	289.803	FPMYPMPNIOBMQP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-029698
CNC1CCCCc2c1cnn2Cc1ccc(cc1)Cl	PC-id_107384473	289.803	ONSRNPSYDSURGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029699
CNC1CCCCc2c1cnn2Cc1cccc(c1)Cl	PC-id_107384476	289.803	OBOIAZPRLNUNOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029700
CNC1CCCCc2c1cnn2Cc1ccccc1Cl	PC-id_107384479	289.803	UBEGDXJSBOSHDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029701
Cc1cc2c(s1)SCCN(C2=O)CCCCCl	PC-id_19881050,SCHEMBL9039373	289.845	SIVJSHQWSFBYAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029702
CC1CCn2c(C(=O)N1)cc(c2)I	EMOLS-id_96746684	290.101	KRDAVOIPPUOUKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029703
CN1CCCn2c(C1=O)cc(c2)I	SCHEMBL14249297,PC-id_71117808	290.101	UQUIUVABSRBSJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029704
Ic1cn2c(c1)C(=O)CCNC2C	PC-id_144490755	290.101	QYPPWETXDJLAOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029705
O=C1Nc2ccn(c2CCC1I)C	SCHEMBL19037366	290.101	NFGQHFREVGFRKY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029706
CC1=NN2CC[C@@H](C(=O)N(C2=C1)C)NC(=O)C3=NNN=N3	PC-id_161612684	290.124	WUWMUEOAZUAFEC-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029707
CCC1=C(C=C(O1)C(=O)O)CN2CCCN3C(=CN=N3)C2	PC-id_154781754,EMOLS-id_317777325,MCULE-4268376703	290.138	NSOWTCODZJYSNQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029708
CCOC(=O)c1cnc2n1NCCC(C=C2Cl)Cl	SCHEMBL18405500	290.146	QLWUGPVMKGWKDX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029709
C1CCC2=NNC(=O)N2[C@@H](C1)C(=O)NCCN3C=CC=N3	PC-id_164640835	290.149	WORANRXJKATNIV-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-029710
ClC(=CCNC(=O)C1CCn2c(CC1)nnn2)Cl	EMOLS-id_316688323	290.149	YGOWFDXDESOHNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029711
C/C=C/C1C(CCNC(=O)CCC2=CN1C=N2)C(=O)CN	PC-id_160414768	290.174	FVRRBAGEYRNNFL-NSCUHMNNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029712
Brc1sc2C(CN(CCc2c1)C(=O)O)C	SCHEMBL4748987,PC-id_69173166	290.177	AXTHAWRNCOCKCA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029713
CC(C)CCCN1C2=C(C=N1)N=C(CNC2=O)C(C)(C)C	PC-id_154397939	290.211	IXZPMZUNXIZINA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029714
BrCCCSc1n2CCCCCc2nn1	EMOLS-id_37644440,PC-id_43445903	290.223	BOKWYAFMANSSIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029715
CC(C)(C)C(=C)N1CCCC2=C(CC1)N(N=N2)C(C)(C)C	PC-id_153316047	290.247	PJKLVTYLYGREOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029716
[Na+].c12c(n(cn1)COCCCC(=O)[O-])NC=NCC2O	CHEMBL290418	290.251	RZVPKWBIUQYEFP-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-029717
O(C1=CCN(C(=O)c2n(ccc12)C(=O)C)C(=O)C)C(=O)C	PC-id_14666663	290.271	AJMLCHNBWOFHGU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-029718
O=c1[nH]c(=O)c(c([nH]1)C(=O)N1CCCc2c(C1)cco2)N	EMOLS-id_100663814	290.275	XKVMZJTYDCMHTD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-029719
N#Cc1c(nc2-c1ccccc2)Nc1ccccc1[N+](=O)[O-]	PC-id_101582104	290.276	HPYHEOQYDDRPMV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-029720
c1(C(F)(F)F)c2CCCCCc2n(CCCC(=O)O)n1	CHEMBL1324993,PC-id_654323,EMOLS-id_845435,ZINC22_810960,CoCoCo_372735,MCULE-2796382606,TIMTEC316909	290.281	MRDPUIPVAFRUGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029721
CCC(C(F)(F)F)NC(=O)c1noc2c1CCCCC2	EMOLS-id_319339828	290.281	ROEHPTIZLNLFCY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029722
FC(F)(F)CNC(=O)Cn1cc2C(O)CCCCc2c1	PC-id_83208558	290.281	FMHBFZFRIHBLJC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029723
OC(=O)c1c2CCCCCCCCn2nc1C(F)(F)F	EMOLS-id_337768997	290.281	QZCHWLSRJNFQQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029724
CCC(C(F)(F)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319720864	290.285	RCDNKPZMNJZUOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029725
O=C(N1CCCc2c(C1)cnn2C)N[C@H](C(F)(F)F)C	EMOLS-id_102212944	290.285	IOBCUBDEWMLLFZ-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029726
CC(=O)Nc1nc2c(CC(CCC2(F)F)C(=O)O)s1	EMOLS-id_331280170	290.286	CBPDWEGZQMMWQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029727
Fc1ccc(C(=O)N2CCc3oc(nc3CC2)CO)cc1	SCHEMBL157831,PC-id_66608863	290.29	ZNEZAOASHJIBGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029728
Oc1ccc(c(c1)NC(=O)c1noc2c1CCCCC2)F	EMOLS-id_318863789	290.29	GHIXDHICDKYMLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029729
C1CN(Cc2cc(nn2C1)CO)C(=O)c1c(cncc1)F	EMOLS-id_55646624,MCULE-8599727451,PC-id_91775493	290.293	GNEVXSNKGSLMNI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029730
Cc1ccc(cc1F)C(=O)N1CCc2n[nH]c(=O)n2CC1	MCULE-5310116110,PC-id_91922356,EMOLS-id_49731291	290.293	WTIVFQDJMNWCSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029731
COc1ccc(cc1F)C(=O)N1CCc2nncn2CC1	EMOLS-id_20575987,PC-id_26346640,ZINC22_14991682,CoCoCo_1382402,MCULE-2345160927	290.293	BOXYIYXXTVPWAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029732
Fc1ccc(Cn2c3NC(OC)CNC(=O)c3nc2)cc1	PC-id_71770024	290.293	ZMIXCECILFUWSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029733
Oc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_319268225	290.293	ZMXCQYJOSGDJPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029734
O=C(O)c1ccc(CN2CCCn3nncc3C2)cc1F	MCULE-6125876500,EMOLS-id_317362437,PC-id_145882142,ZINC22_903622772	290.293	IUHNWJOHCPBYEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029735
O=C(N1CC[n+]2c(CC1)c(on2)O)OCc1ccccc1	PC-id_118394529,SCHEMBL17124824	290.295	MJQXIAKBQGGLKZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-029736
COS(=O)(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102493962	292.393	VYBNYBJOXKYFSF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-031796
Fc1ccc(c(c1)N)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319956848,MCULE-9501060514	290.296	ZJPAEDQSJQVBQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029737
Fc1cncc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319850337	290.296	SZYVRELZINOYKQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029738
O=C(c1c(N)cccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_319698036	290.296	BWXMXXFPOWROPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029739
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccncc1F	EMOLS-id_318879299	290.296	RPWRTCREYGMOIX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029740
O=C(Nc1ccc(cc1)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102023914	290.296	KOAWDCPTNIRBMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029741
O=C(Nc1cccc(c1)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102025300	290.296	CILYAKUHJZZZPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029742
O=C(Nc1ccccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102025384	290.296	GANPSELHJJBNID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029743
N#CC(C(F)(F)F)CSc1nnc2n1CCCCC2	PC-id_103371185	290.308	DEJOXAOJPOKAGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029744
O=C(C1CCCn2c(C1)ccc2)Nc1ccc(cc1F)F	PC-id_143775132	290.308	NNCNQFZKRUMYQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029745
O=C(C1CCCn2c(C1)ccc2)Nc1ccc(c(c1)F)F	PC-id_143775161	290.308	QIWUWYHNCGSHEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029746
o1c2-c(cc(C(C)C)ccc2OC)c(c1=O)C(=O)OCC	PC-id_9971451	290.311	CHOXFCZRNPBSGX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029747
O(CCCC)c1c2-c(c(c(=O)o2)C(=O)OCC)cccc1	PC-id_10469461	290.311	IVIWUDILEWNKGO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029748
COC(=O)c1ccc2-c(cc1)ccc2C(=O)c1ccccc1	PC-id_145989608	290.313	NDNOMIKOZRYMKX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-029749
Fc1ccc(cn1)C(=O)C1CCCc2c(C1=O)scn2	PC-id_141283469	290.313	DTJSXXVIMILYDU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029750
O=C(c1c2-c(c(c1C)C(=O)O)ccccc2)c1ccccc1	SCHEMBL8642139,PC-id_67649128	290.313	DANFABBXVKDCSU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-029751
OC(=O)c1c2-c(c(/N=N/c3ccc(cc3)C)c1)ccccc2	PC-id_12098651	290.316	QIVFGNJGQWFVKQ-FMQUCBEESA-N	00000010100000110110000000000010000000000000000000000000	31-01-029752
c12CN(CCCn1nc(CO)c2)C(=O)NCc1ccco1	EMOLS-id_55689101,PC-id_91790096,MCULE-2971859038	290.318	QEYXGJCRCOVXKS-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029753
Cc1ccc(CNC(=O)C2CCCCc3n[nH]c(=O)n23)o1	EMOLS-id_239609022,MCULE-8971248834	290.318	ILCKWAVMDKNDHG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029754
Cc1cc([C@H](C)N2CCCn3nncc3C2)oc1C(=O)O	ZINC22_903623290	290.318	NXNMHSZQYRIPBQ-JTQLQIEISA-N	00000000101000000101000000000010000000000000000000000000	31-01-029755
Cc1cc([C@@H](C)N2CCCn3nncc3C2)oc1C(=O)O	ZINC22_903623307	290.318	NXNMHSZQYRIPBQ-SNVBAGLBSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029756
Cc1noc(n1)C(NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_100975909	290.318	VUDPDRVPJMFWCT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029757
Cc1occc1C(=O)NC1CCc2nn(C)c(=O)n2CC1	MCULE-4996780894,EMOLS-id_50586269,PC-id_91910905	290.318	YVHWAHNPSCVWLS-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029758
BrCCCCCCn1ccc2c1C=CCC=C2	PC-id_142874452	294.23	HNTMCVOQPDQOTD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-032749
CC(c1cc(c(o1)C(=O)O)C)N1CCCn2c(C1)cnn2	MCULE-5481589670,EMOLS-id_316317831	290.318	NXNMHSZQYRIPBQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029759
CC(c1ncon1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_318946660	290.318	FCDWIGXSCUSBNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029760
CCOc1noc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319808930	290.318	DNEPBNISDGZUAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029761
CNC(=O)Cc1noc(CN2CCCc3occc3C2)n1	MCULE-7741617158,EMOLS-id_177278119,ZINC22_377597393	290.318	IMUSSCDCIUPBDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029762
COc1nn(C)c2c1CCCN(C(=O)c1cc(C)on1)C2	EMOLS-id_46180497,ZINC22_96083748,PC-id_97404587	290.318	BXRKFOZVRLNEIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029763
COCC1CCn2nccc2CN1C(=O)c1cc(C)on1	EMOLS-id_313820965	290.318	WNMZPABJJBPQTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029764
COCC1CN(Cc2cncn2C1)C(=O)c1cc(C)no1	EMOLS-id_49229751	290.318	LAIJNEJGWNYEEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029765
COCc1nnc2CCC(CCn12)NC(=O)c1ccco1	MCULE-6668414532,EMOLS-id_50590335,PC-id_91910768	290.318	QJMWSMWJWGNCAI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029766
COCc1nnc2CCC(CCn12)NC(=O)c1ccoc1	EMOLS-id_50590313,PC-id_91910762,MCULE-9372542085	290.318	BVVDTWGEAYKPPR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-029767
COCc1ocnc1CN[C@H]1CCNC(=O)c2[nH]ccc12	ZINC22_1875346853	290.318	NUSLZLWVIWXDMB-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-029768
COCc1ocnc1CN[C@@H]1CCNC(=O)c2[nH]ccc12	ZINC22_1875346855	290.318	NUSLZLWVIWXDMB-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029769
COC[C@H]1CCn2nccc2CN1C(=O)c1cc(C)on1	ZINC22_585098341	290.318	WNMZPABJJBPQTI-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029770
COC[C@@H]1CCn2nccc2CN1C(=O)c1cc(C)on1	ZINC22_585098344	290.318	WNMZPABJJBPQTI-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029771
COC[C@@H]1CN(C(=O)c2cc(C)no2)Cc2cncn2C1	PC-id_97475307,ZINC22_96207180	290.318	LAIJNEJGWNYEEN-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029772
COC[C@H]1CN(C(=O)c2cc(C)no2)Cc2cncn2C1	ZINC22_96207181,PC-id_97475308	290.318	LAIJNEJGWNYEEN-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-029773
OCc1onc(c1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316667224	290.318	CSKJKCOLMLHQTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029774
OCCn1ncc(c1N)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319649981	290.318	QGQHWKBDDVIBBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029775
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)COc1nocc1	EMOLS-id_319445107	290.318	ULKJMTJNFKCQOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029776
O=C(N1CCCc2c(C1)cco2)Nc1onc(n1)C(C)C	EMOLS-id_278121817	290.318	PUMFEBLDJZSRAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029777
C1Cn2c(CCC1)nnc2C(C)n1cc(N(=O)=O)c(C)n1	TIMTEC128383,EMOLS-id_32217510,MCULE-3647213519,PC-id_71668831	290.321	DOXJGTDWCFOOQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029778
C1Cn2c(CCn3nc(C)c(N(=O)=O)c3)nnc2CCC1	EMOLS-id_32217512,PC-id_71833085,TIMTEC273035,ZINC22_72334167,MCULE-2499996154	290.321	KUCOXIRQEHKBDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029779
C1Cn2c(CCn3nc(N(=O)=O)cc3C)nnc2CCC1	TIMTEC304187,EMOLS-id_32217508,PC-id_71833086,ZINC22_72334164,MCULE-4952393751	290.321	MDFJANIOHLYVOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029780
c1(nnc2CCCCCn12)C(C)(C)n1ncc(N(=O)=O)c1	EMOLS-id_337769241,MCULE-5685053377	290.321	XDFJSEOFJRVWJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029781
Cc1cc(NC(=O)Cn2nc3CCCCCn3c2=O)[nH]n1	EMOLS-id_48461799,ZINC22_71962835,MCULE-8592776283,SPECS-id_AT-687/NB01947,PC-id_60519194	290.321	NLWSKEPPSWEPOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029782
Cc1cc([nH]n1)C(=O)NC1CCc2nn(C)c(=O)n2CC1	MCULE-7218065979,PC-id_91922668,EMOLS-id_50586101	290.321	ULIIVRKEERPCBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029783
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ncn(c1=O)C	EMOLS-id_318885188	290.321	KZRCKWKQOJISKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029784
Cc1cn(nc1)CCC(=O)N1CCc2n[nH]c(=O)n2CC1	PC-id_91922532	290.321	FLLXUZMZKHJCRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029785
Cc1cnn(c1)CC(=O)N1CCn2c(CC1)nn(c2=O)C	EMOLS-id_96925908,MCULE-8170985360,PC-id_110197894	290.321	UTZARMNMNQUOMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029786
Cc1nn([C@@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-]	PC-id_95796919,ZINC22_72334165	290.321	DOXJGTDWCFOOQX-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-029787
Cc1nn([C@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-]	PC-id_95796920,ZINC22_72334166	290.321	DOXJGTDWCFOOQX-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029788
CCc1cc(CNC(=O)[C@H]2CCc3nnnn3CC2)on1	PC-id_164640207,ZINC22_577380494	290.321	ZPVIJMPSXJTUSR-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-029789
CCc1cc(CNC(=O)[C@@H]2CCc3nnnn3CC2)on1	ZINC22_577380493	290.321	ZPVIJMPSXJTUSR-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029790
CCc1noc(c1)CNC(=O)C1CCn2c(CC1)nnn2	MCULE-7478908312,EMOLS-id_316882872	290.321	ZPVIJMPSXJTUSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029791
CC(c1noc(c1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102160309	290.321	BAXGWUMAUIIDTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029792
CC(c1onc(c1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102181029	290.321	HYEAUDBCDOCPMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029793
CCC(c1nnc2CCCCCn12)n1cc(cn1)[N+](=O)[O-]	PC-id_71833102,MCULE-2846462648,TIMTEC372598,EMOLS-id_32216890	290.321	PBKKEKIWJHIQQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029794
CC[C@H](c1nnc2n1CCCCC2)n1cc([N+](=O)[O-])cn1	PC-id_95796918,ZINC22_72334113	290.321	PBKKEKIWJHIQQO-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029795
CC[C@@H](c1nnc2n1CCCCC2)n1cc([N+](=O)[O-])cn1	ZINC22_72334112,PC-id_95796917	290.321	PBKKEKIWJHIQQO-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-029796
CC(n1nnc(n1)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_319625048	290.321	JVGRECNKWMGNTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029797
CCNC(=O)O/N=c/1c(C)nc2c(nc1C)n(nc2C)C	PC-id_102003426	290.321	IHCCWEUYQPTDCF-VCHYOVAHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029798
CCOCc1nnc2CCN(CCn12)C(=O)c1cc[nH]n1	PC-id_97405390,EMOLS-id_46182131,ZINC22_96084564	290.321	SMWQYYBHTVRMIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029799
O(CCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)C(=O)C=C	PC-id_85618715	296.403	BBXCZACMQKGICL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034067
CCOCc1nnn2c1CN(CCC2)C(=O)c1ccn[nH]1	PC-id_97410130	290.321	XNUPQKOZIRTCBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029800
CN1c2cc(nn2CCC(C1=O)N=[N+]=[N-])CC1CCOC1	PC-id_134607450,SCHEMBL20262330	290.321	RWEUWZQXHAWCLE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-029801
Cn1cnn(CCC(=O)N2CCCc3n[nH]cc3C2)c1=O	EMOLS-id_316185687,ZINC22_952893537,MCULE-5214766244	290.321	UPHZUDCBVQVGFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029802
CN(Cc1nc(O)n[nH]1)C(=O)c1cnc2n1CCCCC2	PC-id_145903747,MCULE-7619024242,EMOLS-id_320335236,ZINC22_1875396637	290.321	PMNWKMPNLKHRAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029803
COc1nn(C)c2c1CCN(C(=O)c1ncn(C)n1)CC2	EMOLS-id_313850670,ZINC22_1565553988	290.321	NWICWTVAFCQCJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029804
COCC(=O)N1CCc2ncc(Cn3cncn3)n2CC1	EMOLS-id_46161883,ZINC22_96067921,PC-id_97390227	290.321	MJCYAGQDGNWJNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029805
n12C(CCCCc1n[nH]c2=O)C(=O)NCCn1cccn1	EMOLS-id_207869316,MCULE-8388337880	290.321	WORANRXJKATNIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029806
n12CCC(CCc1n[nH]c2=O)NC(=O)CCn1cccn1	EMOLS-id_168607920,MCULE-5281425921	290.321	OROIBWFBGVGKSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029807
Nc1[nH]c(=O)c2c(c(=O)n1)ncn2CCN1CCCCC1	PC-id_102232693	290.321	NWYWPVQEGVMLDZ-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-029808
[nH]1c(=O)[nH]nc1CC(=O)NCc1c2CCCCCc2[nH]n1	EMOLS-id_177490922,PC-id_137025338,ZINC22_426668521,MCULE-4549010555	290.321	ZMPBEMDCKLCTAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029809
OCCn1nnc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-1812292361,EMOLS-id_320067884	290.321	BHBSCOYSIKLXTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029810
O=C(Nc1noc(c1)C)NCc1nnc2n1CCCCC2	MCULE-4601806070,EMOLS-id_257839509	290.321	FOSMAMQTUNCPIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029811
O(/N=c/1c(nc2n(nc(c2nc1C)C)C)C)C(=O)NCC	PC-id_10637235	290.321	IHCCWEUYQPTDCF-ZDLGFXPLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029812
O(N=c1c(nc2n(nc(c2nc1C)C)C)C)C(=O)NCC	PC-id_85214678	290.321	IHCCWEUYQPTDCF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029813
CCn1nnnc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_278115592	290.324	DQMPQXNRSIRWER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029814
OC1c2n(CCCCCc3n[nH]nn3)cnc2NC=NC1	PC-id_10517607	290.324	XUEMNIGLIQBRFE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029815
OC1CN=CNc2c1ncn2CCCCCc1nnn[nH]1	BindingDB_PC-id_10708618,PC-id_10708618,CHEMBL36046	290.324	GKPQNAANOGZWGV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-029816
O=C(NC(c1n2CCCCCc2nn1)C)c1[nH]nc(n1)N	PC-id_62808265	290.324	KVESGIPMFGGHMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029817
CCNC1CCCCc2c1cn(c2)COCC(F)(F)F	PC-id_106705512	290.325	MRUDDKBGUHECTR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029818
FC(F)(F)COCCCn1cc2C(N)CCCCc2c1	PC-id_83208775	290.325	LSDRQVRAYDKHAW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029819
FC(F)(F)COCCn1cc2C(NC)CCCCc2c1	PC-id_83209091	290.325	XGNFURSXDUXOMZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029820
FC(F)(F)OCCn1cc2C(NCC)CCCCc2c1	PC-id_83212506	290.325	QKSBDDRKYWZUIJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029821
CCC(C(F)(F)F)(NCc1nnc2n1CCCCC2)C	MCULE-4401289521,EMOLS-id_318049013	290.328	ADMXPPPTMNXWHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029822
CCOC(=O)c1c(N)c(c2-c1c([2H])cc(cc2[2H])[2H])C(=O)OCC	PC-id_101072531	290.329	FKLMJXLPXBUJDE-KCDOEIBVSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029823
FC(COCC(=O)N1CCCCc2c1sc(n2)C)F	EMOLS-id_319964887,MCULE-2102392368	290.329	WTNYQMRRXMXHDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-029824
O=C(c1ccccc1)OCC1COc2c(OC1)csc2	PC-id_102022895	290.334	GSXCZUVZMOVNRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029825
O=C(c1ccc(o1)C(=O)O)c1cc2c(s1)CCCCC2	PC-id_106946648	290.334	FQIHGBIHZJSRAO-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-029826
S(CCc1c2-c(c(c1)C(=O)O)ccccc2)CC(=O)O	PC-id_85570884	290.334	KUZGAYLUUCTCIC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-029827
COc1cccc(c1F)NCc1nnc2n1CCCCC2	MCULE-2758748770,EMOLS-id_318740588	290.336	ZNXIDZIBQVOLRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029828
COc1cc(ccc1F)NCc1nnc2n1CCCCC2	MCULE-3553893298,EMOLS-id_318179544	290.336	LGXZMHLMYHYLPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029829
COc1c(cccc1F)NCc1nnc2n1CCCCC2	MCULE-5185196833,EMOLS-id_318758161	290.336	NHCRLIGKNXVBLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029830
COc1ccc(cc1NCc1nnc2n1CCCCC2)F	EMOLS-id_318139278,MCULE-9861841767	290.336	UWQLTYZVYPQFFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029831
COc1cc(F)ccc1NCc1nnc2n1CCCCC2	MCULE-5492740994,EMOLS-id_318032527	290.336	ZZRANJKNXNRJGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029832
COc1cc(NCc2nnc3n2CCCCC3)cc(c1)F	MCULE-6099999962,EMOLS-id_318570011	290.336	COOLNHKYLYXHKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029833
c1(NC(=O)C=CC(=O)O)sc2c(CCCCC2)c1C#N	MCULE-2284418032,PC-id_3748580	290.338	QRNSSXVUTDETOC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029834
N#Cc1c(NC(=O)/C=CC(=O)O)sc2c1CCCCC2	CoCoCo_6564484	290.338	QRNSSXVUTDETOC-SREVYHEPSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029835
N#Cc1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCC2	EMOLS-id_26276638,PC-id_5912002,ZINC22_4812488,STOCK2S-49391,CoCoCo_6564483,TIMTEC410411	290.338	QRNSSXVUTDETOC-VOTSOKGWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029836
Cc1nc(NCc2nnc3n2CCCCC3)c(c(n1)C)F	MCULE-9011838480,EMOLS-id_318017886	290.339	AKMVNKVMAGJLDM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-029837
CCc1ncnc(c1F)NCc1nnc2n1CCCCC2	MCULE-8919058700,EMOLS-id_318161455	290.339	DWFHSERYVGRJAB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-029838
C[N+](=Nc1ccccc1C=C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478323	290.339	YZEKRNBAHKVLBH-UHFFFAOYSA-O	00000010100000110110000000000010000000000000000000000000	31-01-029839
c12C(=O)NCCCc1nc(NC(=O)Cn1cccc1)s2	MCULE-7590120898,EMOLS-id_48619046,PC-id_72720007,ZINC22_96124397	290.341	AZPAURIIJOTYON-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-029840
Cc1nc2c(s1)N(CCCC2)C(=O)c1cn[nH]c(=O)c1	EMOLS-id_318837495	290.341	DBRZPDLXPPYUNU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-029841
Cc1nc2c(s1)N(C(=O)c1cnncc1O)CCCC2	PC-id_145909666,EMOLS-id_324051037,ZINC22_1875370319,MCULE-6306522658	290.341	KAXLHEXVRLYHFG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-029842
COc1ccc(cc1)Cn1nnc2c1SCCNC2=O	PC-id_146167096	290.341	LFKSXUNBKWDTPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029843
OC(=O)c1ccc(cn1)Sc1nnc2n1CCCCC2	PC-id_115491192	290.341	BHCNISRMKDFRPX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029844
OC(=O)c1ccncc1Sc1nnc2n1CCCCC2	PC-id_114288982	290.341	FBENSMQGXBASJQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029845
s1c2CCCCCc2nc1NC(=O)C1N=NC(=O)C=C1	PC-id_75198030	290.341	YQPHLHCTFHQALC-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-029846
s1c2CCCCCc2nc1NC(=O)c1n[nH]c(=O)cc1	PC-id_46525125	290.341	WSHPGJJNKCCYQD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-029847
S(c1n2CCCCCc2nn1)c1cc(ncc1)C(=O)O	PC-id_43143109	290.341	YROCJPWMOINUBX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029848
S(c1n2CCCCCc2nn1)c1c(cncc1)C(=O)O	PC-id_81238675	290.341	SFFCNOQJIJUQOO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029849
S(c1n2CCCCCc2nn1)c1c(nccc1)C(=O)O	PC-id_81600972	290.341	LKVYIIHYIBPGAR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029850
S(c1n2CCCCCc2nn1)c1c([N+](=O)[O-])cccc1	PC-id_47130809	290.341	FFSARGVMTPOJLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029851
S(c1n2CCCCCc2nn1)c1ncccc1C(=O)O	PC-id_25744967	290.341	MBIFEOLOXLBDBL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029852
S(c1n2CCCCCc2nn1)c1nccc(c1)C(=O)O	PC-id_28401423	290.341	XCUWRKPINILVFN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029853
S(c1n2CCCCCc2nn1)c1ncc(cc1)C(=O)O	PC-id_28401425	290.341	OBWFOWOVMBLBBJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029854
S(c1n2CCCCCc2nn1)c1nc(ccc1)C(=O)O	PC-id_62240410	290.341	RIMIMCHDUDGKLH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-029855
CNC1C(=O)N(CCc2c1scn2)Cc1ncncn1	SCHEMBL14172310,PC-id_23554489	290.344	CJKCQIQDYJRPOH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-029856
O=C(c1cc2c(s1)CCCCC2)CCCC(F)(F)F	PC-id_115792266	290.344	QIBQQQKYGOZSAW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-029857
CNC1CCCCc2c1cn(c2)Cc1cc(F)cc(c1)F	PC-id_105405199	290.351	RIBXRITVZSIWFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029858
CNC1CCCCc2c1cn(c2)Cc1c(F)cccc1F	PC-id_114930936	290.351	HGMQLOQPHSHCRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029859
Fc1cc(Cn2cc3C(NC)CCCCc3c2)ccc1F	PC-id_83211523	290.351	OXQTXMAOQNDXKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029860
Fc1c(Cn2cc3C(NC)CCCCc3c2)cccc1F	PC-id_83211528	290.351	DAHRPGMVMUHEAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029861
Fc1c(Cn2cc3C(NC)CCCCc3c2)ccc(F)c1	PC-id_83209249	290.351	NGRXZFDPLWYKRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029862
Fc1c(Cn2cc3C(NC)CCCCc3c2)cc(F)cc1	PC-id_83209652	290.351	UKWYHIBKQFYBAB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029863
NC1CCCCc2c1cn(c2)CC(c1ccccc1)(F)F	PC-id_116790185	290.351	GKHSWLRCWPNZJL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-029864
Fc1cccc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319463332	290.356	YOPGHOGCVWTKJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029865
Fc1ccc(cc1)C(=O)N1CCCCc2c1sc(n2)C	PC-id_15069603,EMOLS-id_318981895,SCHEMBL8312102	290.356	HCKNXOQOXUUADG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029866
Fc1ccccc1C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_16745154,ZINC22_12754695,MCULE-6938746866,PC-id_17524015,CoCoCo_4546037	290.356	ACKQFZCIWCGFPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029867
Fc1cccc(c1)C(=O)Nc1nc2CCCCCc2s1	GD-id_ZINC12902552,CoCoCo_4546066,ZINC22_12902552,MCULE-6231323936,EMOLS-id_16720226,PC-id_17515142	290.356	HFKSWKKYSPLNNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029868
Fc1ccc(cc1)C(=O)Nc1nc2CCCCCc2s1	MCULE-2573214863,EMOLS-id_16737460,PC-id_17521314,ZINC22_12828228,CoCoCo_4546020	290.356	LJOMLDVNLZHOQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-029869
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S(c1n2CCCCCc2nn1)c1nc(ncc1C)NC	PC-id_80882347	290.387	YDQRSKKNBANYIE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030151
S(c1n2CCCCCc2nn1)c1nc(nc(c1)C)NC	PC-id_80882875	290.387	GPRVRPXDLFWUCK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030152
S(c1n2CCCCCc2nn1)c1nc(NCC)cnc1	PC-id_78990311	290.387	HTIMEPYZWXPYQB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030153
S(c1n2CCCCCc2nn1)c1nc(NCC)ncc1	PC-id_80883081	290.387	NJRPTCVWDZXWMZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030154
S(c1n2CCCCCc2nn1)c1nc(nc(N)c1C)C	PC-id_80883277	290.387	ZLIRARQSJBZVOC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030155
S(c1n2CCCCCc2nn1)c1ncnc(N)c1CC	PC-id_80883278	290.387	PGVDNVPHHYCBNL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030156
S(c1n2CCCCCc2nn1)c1nc(nc(N)c1)CC	PC-id_80937407	290.387	UJECEBHXSZEAJT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030157
S(c1n2CCCCCc2nn1)c1ncnc(NC)c1C	PC-id_80882563	290.387	QNCRLFCSCLYHIX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030158
S(c1n2CCCCCc2nn1)c1nc(nc(NC)c1)C	PC-id_80883178	290.387	OZPVDZBYWFPNHD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030159
S(c1n2CCCCCc2nn1)c1ncnc(NCC)c1	PC-id_80882964	290.387	KKXGFVDBTBLRDV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030160
S(c1n2CCCCCc2nn1)Cc1ccc(nc1)NN	PC-id_62245098	290.387	VKJDXNRZMCLBJQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030161
S(c1n2CCCCCc2nn1)Cc1cc(ncc1)NN	PC-id_62465761	290.387	FHXXPFHOXRMAIL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030162
S(c1n2CCCCCc2nn1)Cc1c(nccc1)NN	PC-id_62465760	290.387	ODZLSSSFJHDURN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030163
S(c1n2CCCCCc2nn1)Cc1nc(cc(n1)N)C	PC-id_80654714	290.387	YPQGMXCQUYXPRN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030164
S(c1n2CCCCCc2nn1)Cc1nccc(NN)c1	PC-id_79259217	290.387	QQKGONCRUNTCAO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030165
S(c1n2CCCCCc2nn1)Cc1nc(NN)ccc1	PC-id_79232648	290.387	GLXQQHKXCVVDNK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030166
Cc1ccc(c(c1)C(c1cc2c(s1)CCCCC2)O)F	PC-id_115794467	290.396	IGEOJFCKLNJAAK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030167
Cc1cc(F)cc(c1)C(c1cc2c(s1)CCCCC2)O	PC-id_115823122	290.396	OGRUVKITADKQLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030168
Fc1ccc(c(c1)C(c1cc2c(s1)CCCCC2)O)C	PC-id_115793682	290.396	YJWVOKKBUIUXMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030169
Fc1ccc(c(c1)C)C(c1cc2c(s1)CCCCC2)O	PC-id_115794174	290.396	HSYBUCXWUKMSHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030170
OC(c1ccc(c(c1)F)C)c1cc2c(s1)CCCCC2	PC-id_107130676	290.396	AEZBPPWOTDCDJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030171
s1c2c(CCCCC2)cc1C(O)c1cc(c(F)cc1)C	PC-id_79747225	290.396	DPDRHMSMKFSUHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030172
s1c2c(CCCCC2)cc1C(O)Cc1ccc(F)cc1	PC-id_63016940	290.396	POVRVBHEVZVFHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030173
s1c2c(CCCCC2)cc1C(O)Cc1cc(F)ccc1	PC-id_63018081	290.396	LFFPFOQQJKAUDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030174
s1c2c(CCCCC2)cc1C(O)Cc1c(F)cccc1	PC-id_63016222	290.396	VGCVPOQVKLNWSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030175
CCCCC(=O)C1=C(C)c2coc(c2COC1)CCCC	PC-id_101789548	290.397	USOHUQPBYXRITH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-030176
CCCCC(=O)C1COCc2c(C1=C)coc2CCCC	PC-id_101789549	290.397	ZSZLNZVGRCBJHC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030177
CC(c1ccc(c2-c(c1)c(C)cc2/C=C/c1ccco1)C)C	PC-id_101512705	290.399	VPUSAYYRWYDGJY-MDZDMXLPSA-N	00000010101000000110000000000010000000000000000000000000	31-01-030178
CC(c1ccc(c2-c(c1)c(C)cc2/C=C/c1ccoc1)C)C	PC-id_102454801	290.399	PFJWEKSZGYTFNO-SOFGYWHQSA-N	00000010101000000110000000000010000000000000000000000000	31-01-030179
CNC(c1ccncc1F)c1cc2c(s1)CCCCC2	PC-id_105038329	290.399	JUNMBANHJAMLSP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-030180
CNC(c1cncc(c1)F)c1cc2c(s1)CCCCC2	PC-id_115805060	290.399	FMXKHUFYQMXLBO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-030181
COc1ccc(cc1)Cc1ccc2-c1c(C)cc(cc2C)C	SCHEMBL9695470,PC-id_14942184	290.399	UWLJELBCUSONGT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-030182
NNC(c1cc2c(s1)CCCCC2)c1ccc(cc1)F	PC-id_113699251	290.399	QLPDZEKGLRBAQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030183
NNC(c1cccc(c1)F)c1cc2c(s1)CCCCC2	PC-id_105285470	290.399	AUIGKXQAPBQYIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030184
NNC(c1ccccc1F)c1cc2c(s1)CCCCC2	PC-id_105292273	290.399	FQLAERCIVXXLGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030185
C1CCc2c(CC1)n(c(c2)C=O)CCCN1CCOCC1	PC-id_90699907	290.401	KHIJDZIMBSNNSN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030186
CNC1C(=O)N(CCc2c1occ2)CC1CCCCCC1	SCHEMBL14171320,PC-id_23554849	290.401	RCQSEZYYDGXHHM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030187
O1C(CN(CC1)C(C)C)Cn1cc2c(c1)C(=O)CCCC2	PC-id_83206832	290.401	ZBFPTYWIDJOEDG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030188
O1CCN(CCCc2c3c([nH]c2C=O)CCCCC3)CC1	PC-id_60113716,SCHEMBL6696857	290.401	BDFKVYLKIMRCQW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030189
OC1c2c(CCCC1)cn(c2)CC(=O)N1CCCCCC1	PC-id_83211125	290.401	FXYZTXMPYSUGLN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030190
OC1c2c(CCCC1)cn(c2)CC(=O)NC1CCCCC1	PC-id_83209831	290.401	BZAAAICJKASWDP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-030191
O=C1CCC(C)c2n(CCC1C)nc(c2)CC1COCC1	PC-id_142375326	290.401	UWTNCPBUMJFCRS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030192
CC(c1ccc2-c1ccccc2)NCCCc1cccnc1	PC-id_68816746,SCHEMBL3859059	290.402	QOGPIPRZHYLKQO-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-030193
N#Cc1cc2-c(ccc1C#N)c(cc2C(C)(C)C)C(C)(C)C	4102518_OpenMolecule,CT-id_4102518,PC-id_101512222	290.402	JPFWVHGIWHUYNN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-030194
c12cncn1CCCN(C(=O)CCC(C)N1CCCC1)C2	PC-id_56888257,MCULE-8498126572,EMOLS-id_43082401	290.404	DFAQCQIUAYXZEQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030195
c12cncn1CCCN(C(=O)CN1CCCCCCC1)C2	MCULE-9177443245,EMOLS-id_43120697,PC-id_56897589,ZINC22_72157899	290.404	PSZPXZPRGGVMBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030196
c12C(=O)NCCCc1[nH]c(CC1CCN(CC1)CCC)n2	ZINC22_95363216,EMOLS-id_46614232,PC-id_86284862,MCULE-2434147482	290.404	ZFRGBUQFWFKVCE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030197
c12C(=O)NCC(C)(C)Cc1[nH]c(CC1CCN(CC1)C)n2	PC-id_72878772,ZINC22_95368181,EMOLS-id_46620310,MCULE-2665371251	290.404	AZTLFXDLYYWRJF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030198
c12C(=O)NCC(C)(C)Cc1[nH]c(CC(C)N1CCCC1)n2	MCULE-3022983654,EMOLS-id_32409866,PC-id_50970174	290.404	TXTHDBKKUWTCPS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030199
c12C(=O)NCC(C)(C)Cc1[nH]c(CCCN1CCCC1)n2	ZINC22_65492474,PC-id_50978366,MCULE-3285549040,EMOLS-id_32425294	290.404	LQJIMMCNOGFQFQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030200
c1(CN(C)CCN2CCCC2=O)c2CCCCCc2[nH]n1	EMOLS-id_55694719,ZINC22_240203828,MCULE-7325462245,PC-id_91841698	290.404	JTTQHSYZNBLIKG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030201
c1(C(=O)NCC2CCCN2CC)c2CCCCCc2n[nH]1	PC-id_75357079,STOCK7S-47620,EMOLS-id_49249635,MCULE-9480194462,EMOLS-id_50403122	290.404	HIWMYSYXJQDMCB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030202
c1nc2n(c1CN1CCOCC1)CCN(CC1CC1)CC2	ZINC22_96196915,EMOLS-id_44328761,PC-id_97467059	290.404	CLAURQTWWRGEHM-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-030203
CC1CCC(CC1)(C)NC(=O)C1CCn2c(CC1)nnc2	MCULE-5712620588,EMOLS-id_257964103	290.404	RUVFXBNBFQVGBC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030204
CC1CCCC(C1NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316610657	290.404	YSLJTWCXRGADQI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030205
CC1CCCCC1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101715143	290.404	OEBSSGYQOPORQE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030206
CC1CCCC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101723091	290.404	IFCIALXAHGVUDT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030207
CC1CCCCN1C(=O)CN1CCCc2c(C1)cnn2C	EMOLS-id_102829582	290.404	KSMNAZCEARLELI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030208
CC1CCCN(C1)C(=O)CN1CCCc2c(C1)cnn2C	EMOLS-id_102914043	290.404	LEXPSZIBCDHKGY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030209
CC1(C)C(C(=O)NCc2nnc3n2CCCCC3)C1(C)C	ZINC22_81238309,MCULE-8038219349,PC-id_71867014,EMOLS-id_45762796	290.404	FDDYGTUNZYMVMT-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030210
CC1CCN(CC1)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_102858846	290.404	QYFUMXFJMGJSSR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030211
CC1CCN(CC1)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318928243	290.404	BAIPBGHHKXFPCL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030212
CC1CCN(CC1)C(=O)CN1CCCc2c(C1)cnn2C	EMOLS-id_102829585	290.404	KCECRFADKKHIGJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030213
CC1(C)C(NCc2nnc3n2CCCCC3)C2C1OCC2	EMOLS-id_99606697	290.404	CBUCCQGRKAWUNE-UHFFFAOYSA-N	00001010100000000101001000000010000000000000000000000000	31-01-030214
CC1CN(CC(C1)(C)C)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319106317	290.404	JGBWPUVKYPNSGH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030215
CC1CN(CCC(=O)N2CCCC2C)Cc2c(C1)[nH]nc2	EMOLS-id_319056199	290.404	IJYZMDYIPUEAHP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030216
CC1CN(CCC(=O)N2CCCCC2)Cc2c(C1)[nH]nc2	EMOLS-id_318873373	290.404	CSHDPJRVLANLOX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030217
CC1CN(CC(=O)N2CCCC(C2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319804811	290.404	XUXKMTVCWHJYPK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030218
CC1CN(CC(=O)N2CCCCCC2)Cc2c(C1)[nH]nc2	EMOLS-id_319671273	290.404	STQWVXRHFFPBPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030219
CCC1(CCCC1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_318998676	290.404	GYHNRQLPKBSRMW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030220
CCC1CCCC1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101715893	290.404	LNFUFGFTTFFSRE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030221
CCC1CCCC(C1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-4603589956,EMOLS-id_320266307	290.404	UGLCRFXULRJTOH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030222
CCC1(CC)CCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320202968,MCULE-9832107279	290.404	UPYMOGZPDZZDBF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030223
CC(C1CCCNC1)CC(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_316155986	290.404	ANWLKDMXIPDXAI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030224
CCC1CCCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319391783	290.404	QSSBOPRLBAKYOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030225
CC(C1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319840628,MCULE-5220411140	290.404	PVFDHLSAWQOKPW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030226
C=Cc1nc(c2n1CCCN(C2)C)C(=O)NCC(C)(C)C	SCHEMBL13878298,PC-id_89192041	290.404	WDHXYUWAUFXVLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030227
CCCC1CNCCN1C(=O)c1cnc2n1CCCCC2	EMOLS-id_318127390	290.404	ZEIOVVZQFAJQPJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030228
CCCC1(CNC(=O)N2CCCc3c(C2)cnn3C)CC1	EMOLS-id_101719311	290.404	YUKOEPZNKHHUMU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030229
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CC(CC(=C)C(=O)N(Cc1nnc2n1CCCCC2)C)C	EMOLS-id_319866160	290.404	MARYZTZMUVZYAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030231
CC(C[C@@H]1C[C@H]1NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101690153	290.404	QUAKMOMDIGNBBS-TZMCWYRMSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030232
CC(CCN(C(=O)C1CCn2c(CC1)nnc2)C1CC1)C	EMOLS-id_319815129	290.404	QOQVBCUFKBKCOO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030233
CC[C@@H]1CCC[C@@H](N1C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316481196	290.404	BTSXRRROCWHGBV-SMEJFCCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030234
CC(C)N1CCc2ncc(CNC(=O)C3CCC3)n2CC1	ZINC22_2055772739,EMOLS-id_313780680	290.404	VWSBKMWXRKGULF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-030235
CCCN1CCCC(C1)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_316546988	290.404	ULOCGHUZGIOFGS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030236
CCCN1CCN(CC1)C(=O)c1n[nH]c2CCCCCc12	EMOLS-id_334719701,MCULE-9618828211	290.404	PSFQQUDNDAAYTI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030237
CC(C)N1CCN(CC1)C(=O)c1n[nH]c2CCCCCc12	EMOLS-id_334729437,MCULE-5571403889	290.404	KILAPYWASGSCKP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030238
CCCn1nc(c2c1C(=O)NCC(=N2)C(C)(C)C)C(C)C	PC-id_22281559,SCHEMBL5411853	290.404	DPCZJJQUOLGDOQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-030239
CCC(N(C(=O)C1CCn2c(CC1)nnc2)C1CC1)CC	EMOLS-id_278113079	290.404	WVVUHIFDNGSCMB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030240
C[C@@H]1CC[C@H](CC1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101717853	290.404	JKFPOEZQQVIOGH-MQMHXKEQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030241
C[C@H]1CCCN([C@@H](C)C(=O)N2CCCn3cncc3C2)C1	PC-id_95729996,ZINC22_72172991	290.404	WRVXAEMEHRWOKH-KBPBESRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030242
C[C@@H]1CCCN([C@H](C)C(=O)N2CCCn3cncc3C2)C1	PC-id_98771635,ZINC22_107014595	290.404	WRVXAEMEHRWOKH-ZIAGYGMSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030243
C[C@H]1CCCN([C@H](C)C(=O)N2CCCn3cncc3C2)C1	PC-id_98771636,ZINC22_107014598	290.404	WRVXAEMEHRWOKH-UONOGXRCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030244
C[C@@H](C1CCCC1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101710559	290.404	FJMFLHBFSYYAOX-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030245
C[C@@H](Cc1nc2c([nH]1)CC(C)(C)CNC2=O)N1CCCC1	ZINC22_65428486,PC-id_95132022	290.404	TXTHDBKKUWTCPS-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-030246
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CCNC(=NCCc1nnc2n1CCCCC2)NC1CC1	PC-id_110989331	290.407	IHMXRGBSELMMEY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030319
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CCCN(CC#N)C(=O)c1cc2c(s1)CCCCCC2	PC-id_52729841,MCULE-7090625370,EMOLS-id_36645586,ZINC22_59934325	290.424	CKPGBZJTNHYMKJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030342
CCn1ccnc1CC(c1cc2c(s1)CCCCC2)O	PC-id_115819274	290.424	ZRUQUUGKYNHCJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030343
CCn1ncc(c1)CC(c1cc2c(s1)CCCCC2)O	PC-id_115780642	290.424	BPEMBRFBSUDZJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030344
Cn1ncc(c1)CCC(c1cc2c(s1)CCCCC2)O	PC-id_103027802	290.424	FOPASIVUXZGVEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030345
CNC1C(=O)N(CCc2c1scc2)CC1CCC2C1C2	PC-id_23554812,SCHEMBL14171052	290.424	AYMQYFNXVGBINT-UHFFFAOYSA-N	00100010100010000100010000000010000000000000000000000000	31-01-030346
COCCC1CN(Cc2cccs2)Cc2cccn2C1	EMOLS-id_313837098	290.424	BVZLFNAXKMZELZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030347
COCCC1CN(Cc2ccsc2)Cc2cccn2C1	EMOLS-id_313836842	290.424	VQCXPAFUUVJXDH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030348
COCC[C@H]1CN(Cc2cccs2)Cc2cccn2C1	ZINC22_585094637	290.424	BVZLFNAXKMZELZ-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030349
COCC[C@@H]1CN(Cc2cccs2)Cc2cccn2C1	ZINC22_585094638	290.424	BVZLFNAXKMZELZ-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030350
COCC[C@H]1CN(Cc2ccsc2)Cc2cccn2C1	ZINC22_585094665	290.424	VQCXPAFUUVJXDH-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030351
COCC[C@@H]1CN(Cc2ccsc2)Cc2cccn2C1	ZINC22_585094666	290.424	VQCXPAFUUVJXDH-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030352
N#C[C@@H](C(C)C)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_111205018	290.424	QNJOOUNMBRHLPT-ZDUSSCGKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030353
OC(c1cc2c(s1)CCCCC2)CCc1ccnn1C	PC-id_103027985	290.424	DCXWTAZPMDCMRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030354
OC(c1cc2c(s1)CCCCC2)CCc1nccn1C	PC-id_115838009	290.424	PLRYDSZMAJCETO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030355
O=C(c1cc2c(s1)CCCCC2)N1C[C@@H]2[C@H](C1)CNC2	EMOLS-id_302413549,PC-id_108123849,MCULE-6329211968	290.424	GBKFTNMAPMLOQF-BETUJISGSA-N	00000010100000000100000000000110000000000000000000000000	31-01-030356
O=C(c1cc2c(s1)CCCCC2)NCC1=CCNCC1	MCULE-1739032803,EMOLS-id_302292073,PC-id_114693771	290.424	PIWOZRZIQLLXCZ-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-030357
O=C(N1CCCCc2c1sc(n2)C)C1CCCC2C1C2	EMOLS-id_318968999	290.424	LXVSUMYEUUNDOX-UHFFFAOYSA-N	00100000100010000101010000000010000000000000000000000000	31-01-030358
O=C(N1CCCCc2c1sc(n2)C)C1CCC=CCC1	EMOLS-id_318837664	290.424	VHBUIJOZKWTSPJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-030359
O=C(N1CCCCc2c1sc(n2)C)CC1CCC=CC1	EMOLS-id_320100171	290.424	NHWJMSOWZGSNCZ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-030360
O=C(N1CCCCc2c1sc(n2)C)CC1CCCC=C1	MCULE-5428812660,EMOLS-id_320220578	290.424	BAWMZSDHWIOMHB-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-030361
s1c2c(CCCCC2)cc1C(O)c1n(CCC)ccn1	PC-id_61315540	290.424	HZFLSMUAPFSVIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030362
s1c2CCCCCc2cc1C(=O)NC(CC)(CC)C#N	PC-id_61120221	290.424	BRVJRKKKCDDGSM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030363
s1c2c(CCCCC2)cc1C(=O)N(C(C)C)CCC#N	PC-id_61586076	290.424	LCLJUKUQVIMHPK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030364
s1c2CCCCCc2cc1C(=O)N(CC(C)C#N)CC	PC-id_61381740	290.424	WOIVGBLLYYLTIE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030365
s1c2CCCCCc2cc1C(=O)NN=C1CCCCC1	PC-id_8159609	290.424	JZSJPSJWFHROGD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-030366
s1cc(nc1CCC)Cn1cc2C(O)CCCCc2c1	PC-id_83207968	290.424	MKARGJIQRMHSHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030367
s1c(C(=O)N2C3C(CC2)CNC3)cc2c1CCCCC2	PC-id_74883611	290.424	BIXZWMPXYJFGNS-UHFFFAOYSA-N	00000010100000000100000000000110000000000000000000000000	31-01-030368
s1c(C(=O)N2CC3C(C2)CNC3)cc2c1CCCCC2	PC-id_66210839	290.424	GBKFTNMAPMLOQF-UHFFFAOYSA-N	00000010100000000100000000000110000000000000000000000000	31-01-030369
s1c(C(=O)N2[C@H]3[C@@H](CC2)CNC3)cc2c1CCCCC2	PC-id_43594573	290.424	BIXZWMPXYJFGNS-QWHCGFSZSA-N	00000010100000000100000000000110000000000000000000000000	31-01-030370
s1c(nc(Cn2cc3C(O)CCCCc3c2)c1)C(C)C	PC-id_83208565	290.424	MWDNMDFNOYIHPX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030371
s1c(NC(=O)C2C3CC(C2)CC3)nc2c1CCCCC2	PC-id_43041609	290.424	NMDCCHDNPGABLI-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-030372
Cc1ccc(CNCCc2nnc3n2CCCCC3)s1	MCULE-5688275626,PC-id_72024230,EMOLS-id_48998106,ZINC22_67698118	290.427	JQEQXAOLTSBJSV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030373
Cc1ccc(s1)C(NCc1nnc2n1CCCCC2)C	MCULE-2926702379,EMOLS-id_318338812	290.427	KAZGPCOJSDUFQT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030374
CC1CN(Cc2csc(n2)C(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319780946	290.427	VPQIGDUNPATTDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030375
Cc1scc(c1)C(NCc1nnc2n1CCCCC2)C	MCULE-9747551987,EMOLS-id_318185956	290.427	NOACVPYJPOIGAE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030376
CC(c1cccs1)(NCc1nnc2n1CCCCC2)C	MCULE-8182781106,EMOLS-id_318016382	290.427	MCEOTXSSCHMICB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030377
CC(c1sccc1C)NCc1nnc2n1CCCCC2	MCULE-2561459207,EMOLS-id_318225390	290.427	YQXXSJHCSUPLEA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030378
CCCn1nncc1C(c1cc2c(s1)CCCCC2)N	PC-id_105038925	290.427	CAYBABLYHALPFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030379
CCn1ccnc1C(c1cc2c(s1)CCCCC2)NN	PC-id_113701925	290.427	LEHATRUPBURZMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030380
CCn1ncc(c1)C(c1cc2c(s1)CCCCC2)NN	PC-id_105289724	290.427	AFGQNJJXBOKGFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030381
CCn1nccc1C(c1cc2c(s1)CCCCC2)NN	PC-id_113701812	290.427	RELXKENYIMLVFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030382
CCn1ncnc1CC(c1cc2c(s1)CCCCC2)N	PC-id_105002264	290.427	DALHIIQTLHUCKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030383
CCNC(c1cnnn1C)c1cc2c(s1)CCCCC2	PC-id_105043352	290.427	AKTRYWFKHGZMLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030384
CNC(c1cc2c(s1)CCCCC2)Cc1ncnn1C	PC-id_104997841	290.427	KUZLZCBVDDUSJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030385
CNC(c1cc2c(s1)CCCCC2)Cc1nnn(c1)C	PC-id_107064135	290.427	KPFQKUIFRBSILU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030386
CN(Cc1cnc2n1CCN(CC2)Cc1cscc1)C	PC-id_97466920	290.427	DWCXZHRLPMPVQL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030387
CN(C)Cc1cnc2CCN(Cc3cccs3)CCn12	EMOLS-id_44328477,ZINC22_96196773,PC-id_97466918	290.427	MWRXMUIJGXHPDQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030388
CN(C)CC1CN(Cc2cccs2)Cc2nccn2C1	EMOLS-id_44326061	290.427	IUFDWEBPTJSSMQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030389
CN(C)CC1CN(Cc2ccsc2)Cc2nccn2C1	PC-id_118746952,EMOLS-id_44326063	290.427	WKXARTMTHDZVOX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030390
CN(C)C[C@H]1CN(Cc2cccs2)Cc2nccn2C1	PC-id_97462617,ZINC22_96188174	290.427	IUFDWEBPTJSSMQ-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030391
CN(C)C[C@@H]1CN(Cc2cccs2)Cc2nccn2C1	PC-id_97462620,ZINC22_96188177	290.427	IUFDWEBPTJSSMQ-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030392
CN(C)C[C@@H]1CN(Cc2ccsc2)Cc2nccn2C1	PC-id_97462628,ZINC22_96188185	290.427	WKXARTMTHDZVOX-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030393
CN(C)C[C@H]1CN(Cc2ccsc2)Cc2nccn2C1	ZINC22_96188182,PC-id_97462625	290.427	WKXARTMTHDZVOX-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030394
N#CC(C1CCCCC1)Sc1nnc2n1CCCCC2	EMOLS-id_172305079,MCULE-3776302630,PC-id_122136843	290.427	WWQPWZWOQBYVRK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030395
N#C[C@H](Sc1nnc2n1CCCCC2)C1CCCCC1	ZINC22_115185315	290.427	WWQPWZWOQBYVRK-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030396
N#C[C@@H](Sc1nnc2n1CCCCC2)C1CCCCC1	ZINC22_115185317	290.427	WWQPWZWOQBYVRK-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030397
NNC(c1cc2c(s1)CCCCC2)Cc1ccn(n1)C	PC-id_105329432	290.427	DHQDYRKPMJGBMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030398
NNC(c1cc2c(s1)CCCCC2)Cc1cnn(c1)C	PC-id_105291038	290.427	JTBISQWLARUDQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030399
NNC(c1cc2c(s1)CCCCC2)Cc1nccn1C	PC-id_105322835	290.427	WEJCMTVOVHEWIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030400
NNC(c1c(C)cnn1C)c1cc2c(s1)CCCCC2	PC-id_112742908	290.427	QZGKDOAAMHCCNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030401
s1cc(C(NC(c2n3CCCCCc3nn2)C)C)cc1	PC-id_62091760	290.427	WINNFJMAHMQQDN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030402
s1c(CNC(c2n3CCCCCc3nn2)C)ccc1C	PC-id_43433186	290.427	SIQVPHVFTXRKDM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030403
s1c(CNC(c2n3CCCCCc3nn2)C)c(cc1)C	PC-id_43433188	290.427	RXZZSKUUHUCXTN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030404
s1c(C(NC(c2n3CCCCCc3nn2)C)C)ccc1	PC-id_43746952	290.427	FLAIMKHOPNBDHM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030405
S(C1CC(CCC1C#N)C)c1n2CCCCCc2nn1	PC-id_43293111	290.427	WTWAHMMFIAGDPM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030406
S(C1C(CCCCC1)C#N)c1n2CCCCCc2nn1	PC-id_43293112	290.427	GBKNPXSIGDQBJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030407
CCCNC1CCCCc2c1cn(c2)CC1CCC(O1)C	PC-id_103136375	290.444	QFTYDAPMJOWIIW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-030408
CCNC1CCCCc2c1cn(c2)CC1CCC(O1)(C)C	PC-id_116523017	290.444	CGHKNLPLDNGNLB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-030409
O1C(CCCn2cc3C(NCC)CCCCc3c2)CCC1	PC-id_83209660	290.444	YDPMTMRTHWZEIC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-030410
O1CCC(Cn2cc3C(NCCC)CCCCc3c2)CC1	PC-id_83211955	290.444	QGKGMRVASNNGGU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-030411
O1C(CCn2cc3C(NCCC)CCCCc3c2)CCC1	PC-id_83210049	290.444	MYCZJLCRHMGAEF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-030412
O=C(c1cc2c(s1)CCCCC2)CCc1cccs1	PC-id_114973243	290.444	YWDADGMDEJKUOM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-030413
O=C(c1cc2c(s1)CCCCC2)CCc1cscc1	PC-id_113657258	290.444	MCGSSJMAKMCSKK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-030414
s1c2CCCCCc2cc1C(=O)c1c(sc(c1)C)C	PC-id_43463243	290.444	FXDMBBRBLQHRTM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-030415
s1c2CCCCCc2cc1C(=O)c1sc(cc1C)C	PC-id_81155576	290.444	QCTXRJBHFIZIPW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-030416
s1c2CCCCCc2cc1C(=O)c1sc(CC)cc1	PC-id_43463053	290.444	FGVSDOFWGNWWBI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-030417
c12CN(CCCn1nc(CNC1CCCC1)c2)CC(C)C	ZINC22_82121794,PC-id_70753887,MCULE-9649158577,EMOLS-id_44440761	290.447	QYLYJBZOTQJCDB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030418
C1CCCCCc2c(CCCC1)c(n[nH]2)NC1CCNC1	PC-id_114697996	290.447	XIDVPRUGMNXRBD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030419
C1CCN(CC1)CCCNCc1n[nH]c2c1CCCCC2	PC-id_104433755	290.447	ZQNAKNUSJIIJBE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030420
c1(CN(C)CC[C@H]2CCCN2C)c2CCCCCc2[nH]n1	EMOLS-id_55710992,ZINC22_244773913,MCULE-5951475337	290.447	PIQYMKFKWMTQQK-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030421
CC1CC(CC1NC(c1nnc2n1CCCCC2)C)(C)C	PC-id_106662206	290.447	AGWHCPZEURQXNE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030422
CC1CC(CC1NCCc1nnc2n1CCCCC2)(C)C	MCULE-7078613011,EMOLS-id_318051126	290.447	ZEKWPSVSSSDWHT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030423
CC1CCCC(C1)[C@@H](NCc1nnc2n1CCCCC2)C	MCULE-1442312716,EMOLS-id_318146555	290.447	VNIGWJFTEARHCA-SLTAFYQDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030424
CC1CCCC(C1NCCc1nnc2n1CCCCC2)C	EMOLS-id_318150979,MCULE-1601404778	290.447	YLISDLNICHOAOB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030425
CC1CCC(C(C1)NCCc1nnc2n1CCCCC2)C	MCULE-2979527551,EMOLS-id_318168205	290.447	MHRGXJROKYFXGO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030426
CC(C1CCCCC1C)NCc1nnc2n1CCCCC2	EMOLS-id_318315066,MCULE-3815138446	290.447	DHFNQDIQUZDKQQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030427
CC(C1CCCC(C1)NCc1nnc2n1CCCCC2)C	MCULE-7410378491,EMOLS-id_318164340	290.447	SIFGXLHZKQEGIK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030428
CCC1CC(C)CCC1NCc1nnc2n1CCCCC2	MCULE-5345566790,EMOLS-id_318261681	290.447	MBWFBTUBLMFJSN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030429
CC(C)(C)C1CCc2nnc(CC3CCNCC3)n2CC1	MCULE-7112485973,EMOLS-id_337739772	290.447	DBQNWGRCCQTDCP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030430
CC(C)(C)[C@H]1CCc2nnc(CC3CCNCC3)n2CC1	ZINC22_2356134814	290.447	DBQNWGRCCQTDCP-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030431
CC(C)(C)[C@@H]1CCc2nnc(CC3CCNCC3)n2CC1	ZINC22_2356134815	290.447	DBQNWGRCCQTDCP-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030432
CC(CN1CCCCC1)NCc1n[nH]c2c1CCCCC2	PC-id_104407323	290.447	HACSUADQQXOUTN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030433
CCN(CC)CCC1CN(CC2CC2)Cc2ccnn2C1	EMOLS-id_50375919	290.447	ZTMGBISVDVQJKI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030434
CCN(CC)CC[C@H]1CN(CC2CC2)Cc2ccnn2C1	ZINC22_248278476	290.447	ZTMGBISVDVQJKI-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030435
CCN(CC)CC[C@@H]1CN(CC2CC2)Cc2ccnn2C1	ZINC22_248278478	290.447	ZTMGBISVDVQJKI-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030436
CCS/C=C(/C1=Cc2nccn2C(C#C1)SCC)C	PC-id_142094645	290.447	MJZMYKAJFBMVMK-VAWYXSNFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-030437
CN1CCCC1CCN(C)Cc1n[nH]c2c1CCCCC2	PC-id_91844047	290.447	PIQYMKFKWMTQQK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030438
CN(C)Cc1cnc2CCN(CC3CCCCC3)CCn12	EMOLS-id_313781196,ZINC22_2055772644	290.447	IVFDBUGYYVASGT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030439
N1(CCn2cc3C(NC)CCCCc3c2)CCN(CC1)C	PC-id_83209256	290.447	QILYAEIYDOPZNE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030440
N(C1CCC(CC1)CC)C(c1n2CCCCCc2nn1)C	PC-id_43746927	290.447	WERWWQVVAVUPNQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030441
N(C1C(CCCC1C)C)C(c1n2CCCCCc2nn1)C	PC-id_43746932	290.447	VYPLSURDXBREDN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030442
N(C1CC(CCC1)CC)C(c1n2CCCCCc2nn1)C	PC-id_64244951	290.447	UUUVTVNCDCKRHF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030443
N(C1C(CCCC1)CC)C(c1n2CCCCCc2nn1)C	PC-id_64253352	290.447	LHJFLSHMDVVFER-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030444
N(C1CCC(CC1)(C)C)C(c1n2CCCCCc2nn1)C	PC-id_64416360	290.447	OEPCDCHLTKVWNW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030445
N(C1CC(CCC1)(C)C)C(c1n2CCCCCc2nn1)C	PC-id_64468063	290.447	DQMKZSGLHHDUIZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030446
N(C1CC(C(CC1)C)C)C(c1n2CCCCCc2nn1)C	PC-id_64745802	290.447	QNXJCANQGKZRSB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030447
N(C1CC(CC(C1)C)C)C(c1n2CCCCCc2nn1)C	PC-id_64752987	290.447	VSCGVVXCKXZIHH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030448
N(C1C(C(CCC1)C)C)C(c1n2CCCCCc2nn1)C	PC-id_64761465	290.447	LPKGVISOVXIUFM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030449
N(C1C(CC(CC1)C)C)C(c1n2CCCCCc2nn1)C	PC-id_64761666	290.447	IOHZQAQUDSLPTD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030450
N(C1C(CCC(C1)C)C)C(c1n2CCCCCc2nn1)C	PC-id_64761668	290.447	XCGCQCACLDEVHB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030451
N(C1C(CCCC1)(C)C)C(c1n2CCCCCc2nn1)C	PC-id_79837071	290.447	MLDIAKQMTBVXIO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030452
N(C1CCC(CCC1)C)C(c1n2CCCCCc2nn1)C	PC-id_65079814	290.447	QPWXPMUVLAYWBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030453
N(C1CCCCCCC1)C(c1n2CCCCCc2nn1)C	PC-id_43746926	290.447	KMSAVSXYWYWDCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030454
N(C(C1CCCCC1)C)C(c1n2CCCCCc2nn1)C	PC-id_43791291	290.447	HFZJOJRWHDOTCD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030455
N(CC1CCC(CC1)C)C(c1n2CCCCCc2nn1)C	PC-id_65912058	290.447	ZACQVKWCASJYPS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030456
N(CC1CC(CCC1)C)C(c1n2CCCCCc2nn1)C	PC-id_65921616	290.447	ROHODZUFWLUSGQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030457
N(CC1CCCCCC1)C(c1n2CCCCCc2nn1)C	PC-id_65909307	290.447	ALRQXDWNVNYPEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030458
N(CCC1CCCCC1)C(c1n2CCCCCc2nn1)C	PC-id_80396927	290.447	LXJYOXVOSUYOTL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030459
CC1CCC(CC1C)C(=O)c1cc2c(s1)CCCCC2	PC-id_114975462	290.463	HZTVHKIWEKPPBM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-030460
CC1CC(C)CC(C1)C(=O)c1cc2c(s1)CCCCC2	PC-id_114975325	290.463	DCWCDNWZFRMGDD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-030461
CCC1CCCCC1C(=O)c1cc2c(s1)CCCCC2	PC-id_114973753	290.463	YBUIFPFDNIUXMZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-030462
CCC1CCC(CC1)C(=O)c1cc2c(s1)CCCCC2	PC-id_114975925	290.463	HBPBIOKCWOGBBF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-030463
CCC1CCCC(C1)C(=O)c1cc2c(s1)CCCCC2	PC-id_114976463	290.463	HFDBFZPCDUIIPU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-030464
OC(c1cc2c(s1)CCCCC2)C1=CCCCCCC1	PC-id_106657675	290.463	IZHSDNOMEBESNF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-030465
OC(c1cc2c(s1)CCCCC2)CC1CC2CC1CC2	PC-id_115821291	290.463	GBSDQIVHWUJDEQ-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-030466
N#CC(c1sc2c(n1)CCCCCCCCCC2)(C)C	PC-id_103097258	290.467	CJGQINLTYNCPHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030467
NNC(c1cc2c(s1)CCCCC2)C1=CCCCCC1	PC-id_106650381	290.467	XVAKSDQWILSDEG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-030468
n1(cc2C(N)CCCCc2c1)CCCCCCCCCC	PC-id_83209453	290.487	LXQCLNNNYWHDIC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030469
n1(cc2C(NC)CCCCc2c1)CCCCCCCCC	PC-id_83210021	290.487	PREDQLIOCBDVOT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030470
n1(cc2C(NCC)CCCCc2c1)CCCCCCCC	PC-id_83211549	290.487	ZOTXMVUMUNPFNE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030471
n1(cc2C(NCCC)CCCCc2c1)CCCCCCC	PC-id_83209278	290.487	GHIDKYHOZJCNAO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030472
n1(CC(CCCC)CC)cc2C(NCC)CCCCc2c1	PC-id_83209275	290.487	WVJASHQSICNOJU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030473
S(c1c2-c(c(cc(cc2C)C)C)c(SCC)c1)CC	PC-id_12285332	290.487	DUAOZBLVHTWMLO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-030474
Clc1ccc(cc1)CN1C(=O)CNC(=O)c2c1occ2	PC-id_101095152	290.702	XKJUUQDXJPDGNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030475
Clc1ccc(CN2c3c(occ3)C(=O)NCC2=O)cc1	PC-id_11380748	290.702	CVLWJJVHKZGXRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030476
COC(=O)c1cc(c2-c1ccccc2)CCCC(=O)Cl	PC-id_140092822	290.742	JBMFONMSEICTAC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-030477
c1(C(=O)c2ccc(cc2)Cl)n(O)c2c(CCCCC2)n1	PC-id_755654,MCULE-1111921122,ZINC22_210502,ChEMBL-DNDi_CHEMBL5794-0824,CoCoCo_780587,EMOLS-id_2151477	290.745	HVHLJYGYVWYFHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030478
c1(C(=O)Nc2ccccc2Cl)c2CCCCCc2on1	PC-id_17254335,TIMTEC106139,ZINC22_20508121,STOCK7S-16679,MCULE-9963964687,EMOLS-id_21980613	290.745	CPZPNFZWWWZABX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030479
O=C1Nc2cn(nc2CCC1I)C	SCHEMBL19228591	291.089	METUKBFQXFHTIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030524
c1(C(=O)Nc2ccc(cc2)Cl)c2CCCCCc2on1	STOCK6S-91006,ZINC22_20478504,MCULE-5678819853,PC-id_17254336,TIMTEC121679,EMOLS-id_21980615	290.745	DHHWNAFTRQVFJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030480
c1(C(=O)Nc2cccc(Cl)c2)c2CCCCCc2on1	MCULE-5287917374,PC-id_4053740,EMOLS-id_15972024,ZINC22_426554,STOCK6S-94285,TIMTEC114756	290.745	CZSBGORNEHWFDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030481
c1(C(=O)Nc2ccc(cn2)Cl)c2CCCCCc2[nH]n1	MCULE-7907481012,EMOLS-id_323248567	290.748	RETNGXPOQLYLJU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030482
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccncc1Cl	EMOLS-id_319419694	290.748	IZMRBFPVIVGTFR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030483
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncccc1Cl	EMOLS-id_319783762	290.748	JVPDPIOVABTKEM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030484
Clc1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316730090	290.748	DZBUEENWHQABAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030485
Clc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319357000	290.748	NSWQWGGOQIAWCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030486
Clc1ccc(nc1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101672963	290.748	FINGKTAWCHEBNS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030487
Clc1ccc(NC(=O)c2n[nH]c3CCCCCc23)cn1	MCULE-1478084771,EMOLS-id_323251642	290.748	UBHGIRIAHAPPQT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030488
Clc1ccnc(NC(=O)c2n[nH]c3CCCCCc23)c1	EMOLS-id_323251387,MCULE-4770483109	290.748	VZYXIYGXJFPJAU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030489
Clc1cnccc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101673062	290.748	OLYHAASSMPNIGW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030490
Clc1cncc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101679980	290.748	SPFAEQYZHNGYHZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030491
O=C(N1CCn2c(CC1)nnc2)Cc1ccccc1Cl	CoCoCo_1174431	290.748	TTZZMCDXPBKTKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030492
c12CN(CCCn1nc(C#N)c2)CCn1cc(cn1)Cl	ZINC22_1506418372,EMOLS-id_316239430,MCULE-3521957073	290.751	HMYCIYIHULWDDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030493
CC(OC(=O)N1CCc2c(CC1)sc(n2)OC)Cl	PC-id_89607586,SCHEMBL15001614	290.766	QKHYFJUWQXEQAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030494
ClCCCN1CCC(=O)c2c(S1(=O)=O)ccn2C	SCHEMBL5853519,PC-id_22065888	290.766	JZTFLDSORNFVJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030495
Cc1ccc(c(c1)Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318056605,MCULE-5738141633	290.791	FDUAITWSRAVTBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030496
Cc1cc(ccc1Cl)NCc1nnc2n1CCCCC2	MCULE-2686511141,EMOLS-id_318025888	290.791	TYGQMJQKLZCHMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030497
Cc1cccc(c1NCc1nnc2n1CCCCC2)Cl	EMOLS-id_318056093,MCULE-9393381331	290.791	ZXVVPOCYDBJUDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030498
Cc1ccc(Cl)cc1NCc1nc2n(n1)CCCCC2	MCULE-7722683183,PC-id_16458984,CoCoCo_6602636,ZINC22_28534861	290.791	LEEAIDLTUIWONB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030499
Cc1ccc(Cl)cc1NCc1nnc2CCCCCn12	CoCoCo_2580220,MCULE-7709137454,PC-id_7267280,ZINC22_4518137,EMOLS-id_2701524,GD-id_ZINC04518137	290.791	XCSUQDJOLFKVCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030500
CCC(c1ccccc1)NC(=O)c1nnc2-c1ccccc2	PC-id_90746910	291.347	LHJNCNQPXMZYIQ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-030677
Cc1ccc(Cl)c(NCc2nnc3CCCCCn23)c1	EMOLS-id_30308032,PC-id_52102216,ZINC22_41105044,MCULE-4561213303	290.791	YOHFHUSEBVOFQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030501
Cc1ccc(CNc2nnc3n2CCCCC3)cc1Cl	ZINC22_8550813,MCULE-8777469567,PC-id_4752692	290.791	JSEMOOXHIYWPEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030502
Cc1ccc(NCc2nc3n(n2)CCCCC3)cc1Cl	CoCoCo_6602059,PC-id_35754640,ZINC22_28527873,GD-id_ZINC28527873	290.791	DBCDWWPABLGUNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030503
Cc1ccc(NCc2nnc3CCCCCn23)cc1Cl	MCULE-1245988134,CoCoCo_2580303,EMOLS-id_2701548,CHEMBL1396421,PC-id_7267332,ZINC22_4518210	290.791	BLXWYMVNDUBDDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030504
Cc1c(Cl)cccc1CNc1nnc2n1CCCCC2	MCULE-2111996472,ZINC22_8548462,PC-id_4752270	290.791	GXAWXZJFYOEZFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030505
Cc1c(Cl)cccc1NCc1nc2CCCCCn2n1	GD-id_ZINC28527603,EMOLS-id_32193708,CoCoCo_6601026,PC-id_16458698,ZINC22_28527603,MCULE-9225141042	290.791	MJFJWHXRUJSCNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030506
Cc1c(Cl)cccc1NCc1nnc2CCCCCn12	TIMTEC134745,CoCoCo_6269946,MCULE-5193544815,ZINC22_94456,PC-id_707309,EMOLS-id_5678087	290.791	DWBHCWFXVAPZHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030507
Cc1c(cncc1Cl)NCc1cnc2n1CCCCC2	MCULE-6381628472,EMOLS-id_318727165	290.791	XZXIZNQKXKUHCZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030508
Clc1ccc(c(c1)C)NCc1nnc2n1CCCCC2	EMOLS-id_318057885,MCULE-8177516686	290.791	CBGKQAXVMOKVHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030509
Clc1c(cccc1C)NCc1nnc2n1CCCCC2	MCULE-7671079340,EMOLS-id_318628392	290.791	VFWJGWQFTDTOLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030510
Clc1c(ccnc1C)NCc1cnc2n1CCCCC2	MCULE-2660039929,EMOLS-id_318766059	290.791	QJNQICLGTNPVEM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030511
Clc1cnc(c(c1)C)NCc1cnc2n1CCCCC2	MCULE-3091959448,EMOLS-id_318461038	290.791	JFTDFUDYEOPATJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030512
Clc1cccc(c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_113656184	290.808	CIPHAGHSWPRLDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030513
Clc1ccccc1C(=O)c1cc2c(s1)CCCCC2	PC-id_114963339	290.808	MMUCCRYGPZLVTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030514
Clc1ccc(C(=O)c2sc3CCCCCc3c2)cc1	PC-id_43462850	290.808	UEWHGKXMRSCHET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030515
Clc1n(nc2c1CCCCC2)CCS(=O)(=O)CC	PC-id_66015118	290.809	HLIVQBHQECNJGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030516
Clc1ccc(cc1)/C=C/c1nc2c(s1)NCCCC2	PC-id_15069484,SCHEMBL8313753	290.811	XZBZPCBDCPTAFZ-RMKNXTFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030517
Clc1ccc(C=Cc2sc3NCCCCc3n2)cc1	PC-id_54495913	290.811	XZBZPCBDCPTAFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030518
ClC(c1sc2c(CCCCC2)c1)c1ccc(cc1)C	PC-id_63428617	290.851	UXDBQKBXSALHJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030519
ClC(c1sc2c(CCCCC2)c1)Cc1ccccc1	PC-id_63543897	290.851	GCZNZWCQGVRMLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030520
CC1=C2N(CC(CCN2N=C1)I)C	PC-id_150473868	291.023	HSJMBNCBCXUGQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030521
C1CN(CCc2c1nc(o2)N)C(=O)c1ccc(cc1)Cl	PC-id_163993794	291.077	PKGZFKHHIGOCEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030522
C1N=CC(=CN1NC2=CC3=CC=CC3=CC=C2)C(F)(F)F	PC-id_153731748	291.098	NRLHULSZMUJZBR-UHFFFAOYSA-N	00000010100011000111000000000010000000000000000000000000	31-01-030525
CC(=O)NC1=NC=C(S1)CN2CCC3=C(CC2)NN=C3	PC-id_154685694	291.115	IAGVZVZIGQFMEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030526
CC(=O)NC1=NC=C(S1)CN2CCC3=NC=CN3CC2	PC-id_154685804	291.115	AYFLEXZHJBXKHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030527
CN1CC(CCc2nn(cc12)C)I	PC-id_135136075,SCHEMBL20282526	291.132	QBFZVQUIGBPCHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030528
CC1=C(C(=NO1)C)C(=O)N[C@H]2CCC3=NNC(=O)N3CC2	PC-id_164637440	291.133	DRUQKUWPIIITLX-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-030529
C[C@@H](C1=CC=CC=C1)NC(=O)C2=C3C=CC=CC=CC3=NN2	PC-id_140514678,PC-id_160291121	291.137	PRVOQQHITYDFIX-ZDUSSCGKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-030530
C[C@H](C1=CC=CC=C1)NC(=O)C2=C3C=CC=CC=CC3=NN2	PC-id_140514681,PC-id_160291120	291.137	PRVOQQHITYDFIX-CYBMUJFWSA-N	00000000100000110111000000000010000000000000000000000000	31-01-030531
CCC#CC(=O)c1c[nH]c2=NC=C(CC=c12)Br	PC-id_143919983	291.143	UHUGAOJNGFSPGH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-030532
C1CCC2=NN(C(=O)N2CC1)CC(=O)NCC3=NNN=C3	PC-id_154749760,EMOLS-id_317282998,MCULE-1360164422	291.144	JQAWXXHFYCHHGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030533
CC1Cc2c(C(=O)NC(=O)C1)n(cn2)CCCCC(=O)C	PC-id_163742322	291.158	LIVSNEHCBNHFMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030534
CC(C)(C)NC(=O)N1CC=CCc2c(n(cc12)C)C(=O)O	PC-id_164160577	291.158	ZMPWEMNLBOLNQO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-030535
CC1(C(=O)N(C(=O)N1C)CC2=NN=C3N2CCCCC3)C	EMOLS-id_317747095,MCULE-3629535691,PC-id_154736567	291.17	MPXVEAREWLBQDU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030536
Brc1c2-c(cc(C(C)C)ccc2C)c(c1)C=O	SCHEMBL12743765,PC-id_59760286	291.183	WQYQTWGJMFZRDT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-030537
BrCC(=O)c1c2-c(c(CCC)c1)ccccc2	PC-id_10902381	291.183	NPPIQRXWNFIDLH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-030538
CC1(CCC(CC1)OC)C(=O)N2CCCC3=C(C2)C=CO3	PC-id_154758250,EMOLS-id_257910119	291.183	SOZCKCWWAGURAM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-030539
CCCC(CCC)N1CCCN2C(=CC=C2C(=O)N)C1=O	PC-id_153675053	291.195	OSMYCVCQLIKDDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030540
CC(C)C(=O)COC1CCCCCc2c1n(nn2)C(=C)C	PC-id_163894871	291.195	QESPXDCRZQJGEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030541
COC(=O)C1=NN(C)C(=O)n2c(C=C1C(=O)OC)ccc2	PC-id_102064501	291.259	ZSTBUXXHIKVPIZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-030542
N#Cc1c(nc2-c1ccccc2)Nc1ccncc1[N+](=O)[O-]	PC-id_101582106	291.264	XFRNTFPXVUPEQF-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-030543
CCC(C)(C)C1CCCC2=C(CC1)N(N=N2)C(C)(C)CC	PC-id_160648856	291.267	OJIGRHRZVWKFJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030544
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COCC(F)(F)F	EMOLS-id_318953155	291.27	PGHZVFODCKNEBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030545
OCC(C(F)(F)F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_320046907,MCULE-3456221842	291.27	SDLMBIUCNLFLIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030546
FC(C1=CN=CN(C1)Nc1cccc2-c(c1)ccc2)(F)F	SCHEMBL5178139,PC-id_69343137	291.271	HCWKIGILCMWLDX-UHFFFAOYSA-N	00000010100011000111000000000010000000000000000000000000	31-01-030547
O=C(N1CCCn2c(C1)cc(n2)N)N[C@H](C(F)(F)F)C	EMOLS-id_320226194,MCULE-1368041038	291.273	VYYULBKFBAZLTA-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030548
Fc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)O	EMOLS-id_102181014	291.281	DLXDRRJNMYVRFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030549
Fc1ccc(c(c1)O)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102180984	291.281	YCHZGXAJZXBZRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030550
O=C(c1ccc(c(c1)O)F)NC1CCn2c(CC1)nnn2	MCULE-6240355629,EMOLS-id_320119451	291.281	ORHAZENDQDKBDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030551
O=C(c1c(O)cccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102179615	291.281	FBPSSCFBONHPHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030552
O=C(Nc1ccc(cn1)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102018217	291.284	FNWLIDCESVJBRH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030553
O=C(Nc1cncc(c1)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102008610	291.284	KPWYVVHKVATSJV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030554
Fc1cc(C(=O)c2c3CCCCCc3oc2N)ccc1F	PC-id_83448089	291.293	JILBPHKUMMLZGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030555
Fc1c(C(=O)c2c3CCCCCc3oc2N)c(F)ccc1	PC-id_83448091	291.293	MPDFRBVAVXVGIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030556
FC(c1ccccc1C(=O)N1CCCc2c(C1)cco2)F	EMOLS-id_319519705	291.293	UHSSTDUTNPWTFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030557
c12cnn(C)c1CCCN(C2)C(=O)c1ccc(cc1F)F	EMOLS-id_360478,ART-19035201,ZINC22_19289658,MCULE-7405507847,PC-id_92566463	291.296	SEHKJTYVTOYDGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030558
c12cnn(C)c1CCCN(C(=O)c1ccc(c(F)c1)F)C2	ART-19035189,ZINC22_19289656,EMOLS-id_43236755,MCULE-9843144986,PC-id_92566461	291.296	ORCCADGQCCOLJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030559
c12cnn(C)c1CCCN(C(=O)c1cc(F)cc(F)c1)C2	ZINC22_19289653,PC-id_92566460,MCULE-1691394044,EMOLS-id_360472,ART-19035198	291.296	WQUDZPGJRONBKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030560
c1(C(=O)Nc2c(F)ccc(F)c2)c2CCCCCc2[nH]n1	EMOLS-id_335018840,MCULE-9945381174	291.296	CIPKIEHKAXDYHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030561
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1F)F	EMOLS-id_319075044	291.296	UHPMOPSIYIDAPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030562
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1F)F	EMOLS-id_320219786,MCULE-6348166164	291.296	CDWBSTFUKJNKNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030563
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(F)ccc1F	EMOLS-id_318982195	291.296	DKAWIQMGOVWMDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030564
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(F)cc(c1)F	EMOLS-id_319401676	291.296	MSIRPEYCUUSDKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030565
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(F)cccc1F	EMOLS-id_318958202	291.296	OEWLPOGYJRWDFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030566
Fc1ccc(NC(=O)c2n[nH]c3CCCCCc23)cc1F	EMOLS-id_334996818,MCULE-4909941366	291.296	HFTTWIKFRJDASC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030567
Fc1ccc(NC(=O)c2n[nH]c3CCCCCc23)c(F)c1	MCULE-1261776761,EMOLS-id_335007324	291.296	ZPUFAAJGPBVEOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030568
O=C(c1ccccc1C(F)F)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319038696	291.296	DBILYAXMDXCYRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030569
OCCCn1c(C(=O)O)c2c(c1C(=O)O)CCC#CCC2	SCHEMBL18007272,PC-id_122480376	291.299	SGYRJSDJRLTRAH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-030570
O=c1n2CCCCCc2nn1Cc1c(oc(c1)C(=O)O)C	PC-id_62273800	291.302	SSSHTCQGVXVVFK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-030571
O=c1n2CCCCCc2nn1Cc1oc(c(c1)C)C(=O)O	PC-id_43664775	291.302	ZDFWUWPMHWBLKE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-030572
O=c1n2CCCCCc2nn1Cc1oc(c(c1)C(=O)O)C	PC-id_43426899	291.302	MRDURILCVAMIOF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-030573
O=C(Nc1nc2-c(c1C=O)ccccc2)Nc1ccccc1	PC-id_86229575	291.304	KQHMTOCSXHAMEQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-030574
[O-][N+](=O)c1c2-c(c(/N=N/c3ccc(cc3)C)c1)ccccc2	PC-id_12098652	291.304	ZKYQLXDLHYDOLO-VHEBQXMUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-030575
c12CN(CCCn1nc(CO)c2)C(=O)Cc1c(C)non1	PC-id_91781338,MCULE-8295613338,EMOLS-id_55663683	291.306	NHGCKETVRNCWNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030576
c1(c[nH]c(=O)[nH]1)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	MCULE-3346244041,EMOLS-id_55648797,PC-id_91776233	291.306	CKXXEFIZZVUHEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030577
c1(oc(nn1)CCC)C(=O)N1CCc2c(c(=O)[nH][nH]2)CC1	ZINC22_71764225,MCULE-4173173010,EMOLS-id_43207329,PC-id_56878987	291.306	GXYHZLQRDLQVSX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030578
Cc1cc(C(=O)NC[C@H]2COCc3c(C)nnn3C2)no1	PC-id_97469408,ZINC22_96199337	291.306	BAGNBCFZKZWYNS-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030579
Cc1cc(C(=O)NC[C@@H]2COCc3c(C)nnn3C2)no1	ZINC22_96199338,PC-id_97469409	291.306	BAGNBCFZKZWYNS-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-030580
Cc1cc(NC(=O)Cn2nc3n(c2=O)CCCCC3)no1	ZINC22_8935373,EMOLS-id_11975372,CoCoCo_4406414,PC-id_17422809,MCULE-9892051995	291.306	AXVIUFSNRQCDMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030581
Cc1c(c(no1)C)CC(=O)N1CCc2n[nH]c(=O)n2CC1	MCULE-8996452502,EMOLS-id_50586001,PC-id_91922533	291.306	WHKRZXVNPICAJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030582
Cc1cc(no1)C(=O)NCC1COCc2c(C)nnn2C1	EMOLS-id_44332583,PC-id_118739734	291.306	BAGNBCFZKZWYNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030583
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1nc(oc1=O)C	EMOLS-id_319505698	291.306	KOIXKZROVJCNQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030584
Cc1nnn2c1COC[C@H](CNC(=O)c1cnoc1C)C2	PC-id_97469399,ZINC22_96199326	291.306	CBOQKYCGADZKNM-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030585
Cc1nnn2c1COC[C@@H](CNC(=O)c1cnoc1C)C2	ZINC22_96199325,PC-id_97469398	291.306	CBOQKYCGADZKNM-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-030586
Cc1nnn2CC(CNC(=O)c3cnoc3C)COCc12	PC-id_118739429,EMOLS-id_44332557	291.306	CBOQKYCGADZKNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030587
Cc1noc(C)c1C(=O)N1CCc2nn(C)c(=O)n2CC1	MCULE-1345953227,PC-id_110197881,EMOLS-id_96925705	291.306	YXQQNFSWFXHRKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030588
OC(=O)C=Cc1c2-c(c(CCCC)c1)cccc(C(C)C)c2	PC-id_85570852	296.403	DXICWOBOMWSKNT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034068
Cn1ncc2c1CCCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2	MCULE-7287940027,ZINC22_952893230,EMOLS-id_316174677	291.306	IGPSFHKHJHTWIM-VIFPVBQESA-N	00000000100010000101000000000010000000000000000000000000	31-01-030589
COCc1nnc2CCC(CCn12)NC(=O)c1cnco1	EMOLS-id_239612717,MCULE-5833971753	291.306	AWIKQIWYKNEEEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030590
n12CCC(CCc1n[nH]c2=O)NC(=O)c1c(C)noc1C	MCULE-7309472794,EMOLS-id_97099912	291.306	DRUQKUWPIIITLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030591
O=c1n2CCCCCc2nn1Cc1c(occ1)C(=O)NN	PC-id_63578502	291.306	OUAKJXADGPSZJP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-030592
O=c1n2CCCCCc2nn1Cc1occc1C(=O)NN	PC-id_63578682	291.306	LXBPXUZTTCSKBJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-030593
O=c1n2CCCCCc2nn1Cc1oc(cc1)C(=O)NN	PC-id_63578683	291.306	PWVZSGUJKUYQKX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-030594
O=c1n2CCCCCc2nn1Cc1occ(c1)C(=O)NN	PC-id_63578864	291.306	PNRVEHJCPBJQGF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-030595
OCc1cc2CN(Cc3cc(=O)[nH]c(=O)[nH]3)CCCn2n1	EMOLS-id_55619398,PC-id_91765921,MCULE-8563689879	291.306	VWHQYMVXQJXLSP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030596
O=C(c1c[nH]c(=O)[nH]1)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99974530	291.306	CKXXEFIZZVUHEI-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030597
O=C(c1c[nH]c(=O)[nH]1)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99974531	291.306	CKXXEFIZZVUHEI-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030598
OC(=O)c1cnn(c1Cn1nc2n(c1=O)CCCCC2)C	PC-id_116630235	291.306	XTIXTDHQSIIBPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030599
Nc1nc2c(s1)CCN(CC2)CCCP(=O)(O)O	PC-id_18756966,SCHEMBL5059513	291.307	YWPGXLOJBFTCKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030600
CCOCc1nnn2c1CN(CCC2)C(=O)c1ncn[nH]1	PC-id_97405165	291.309	XKSUEJVMOHUTEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030601
COCn1ncc(c1)NC(=O)C1CCn2c(CC1)nnn2	EMOLS-id_258105951,MCULE-4044205926	291.309	BAKCPEDRYPCDSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030602
FC(F)(F)COCCCn1cc2C(O)CCCCc2c1	PC-id_83208887	291.309	GGNOTRAZSYPIQZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030603
O=C(NC(c1n2CCCCCc2nn1)C)c1nonc1N	PC-id_62687421	291.309	KZGDCAYYXGWEJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030604
FC(C1(CC1)S(=O)(=O)N1CCCc2c(C1)cco2)F	EMOLS-id_319231877	291.314	LWFGFNQVBVPOGP-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-030605
c1cc2-c(ccc(cc2)C=Cc2c(ccc(c2)F)NC=O)c1	PC-id_89275614	291.319	XBJVEQRESHQXBQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-030606
O=CNc1ccc(cc1/C=Cc1ccc2-c(cc1)ccc2)F	SCHEMBL14216245	291.319	XBJVEQRESHQXBQ-TWGQIWQCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-030607
s1c2CCCC(=O)N(c2cc1)Cc1c(occ1)C(=O)O	PC-id_63749504	291.322	QDNQPHSPATZLRR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-030608
s1c2CCCC(=O)N(c2cc1)Cc1oc(cc1)C(=O)O	PC-id_63748106	291.322	RBOULJRNTWUXPM-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-030609
s1c2CCCC(=O)N(c2cc1)Cc1occc1C(=O)O	PC-id_63749154	291.322	AWSIGZOTNHYZJO-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-030610
s1c2CCCC(=O)N(c2cc1)Cc1occ(c1)C(=O)O	PC-id_63749323	291.322	XVAPZYSYCBFVJL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-030611
COc1ccc(c(n1)NCc1nnc2n1CCCCC2)F	EMOLS-id_318428888,MCULE-7890640497	291.324	ZIPDJIVLFNODHJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030612
FCCC(=O)N1CCCn2nnc(Cn3cccc3)c2C1	EMOLS-id_313784986,ZINC22_1565554194	291.324	SYNDOWRDKASLKS-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-030613
FCCn1ncc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-5255740799,EMOLS-id_320057666	291.324	GFMWWOSMWWMGPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030614
O=C(c1[nH]nc(c1)C(=O)O)N1CCCc2c(C1)ccs2	EMOLS-id_320220452,MCULE-6090220799	291.326	ZSBRANIUQRWEQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030615
CN1CCn2c(=O)c(c(n2C(C1)CS(=O)(=O)O)N)N	PC-id_90725534	291.327	PNKWWVPQYKLJEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030616
CN1CCn2c(=O)c(c(n2C(C1)OS(=O)(=O)C)N)N	PC-id_87586388,SCHEMBL3858521	291.327	VMTXFFBFBVCHIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030617
c12C(=O)NCCCc1nc(NC(=O)Cn1cccn1)s2	ZINC22_211130237,MCULE-7592767675,EMOLS-id_50139237,PC-id_72719997	291.329	QCILWQFNELPYCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030618
OC(=O)c1ccnc(n1)Sc1nnc2n1CCCCC2	PC-id_107555132	291.329	RIBSPQQECAUJJD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030619
O=[N+]([O-])c1cccnc1Sc1nnc2n1CCCCC2	EMOLS-id_17173480,MCULE-9404717494,CoCoCo_4402843,ZINC22_12636044,PC-id_24236327	291.329	GUDZOMLDNIVEPG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030620
O=[N+]([O-])c1ccc(Sc2nnc3n2CCCCC3)nc1	MCULE-5064237326,CoCoCo_4402846,ZINC22_12644071,PC-id_18126001,EMOLS-id_17187081	291.329	YLQRLDBJPNTZEN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030621
S(c1n2CCCCCc2nn1)c1nccnc1C(=O)O	PC-id_62703124	291.329	MZAHSKKDOOMDFC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030622
S(c1n2CCCCCc2nn1)c1ncc(nc1)C(=O)O	PC-id_64266604	291.329	FUTGWSKQHPKUPQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030623
S(c1n2CCCCCc2nn1)c1nc(cnc1)C(=O)O	PC-id_66450576	291.329	LLUNTAGHODPUKK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030624
S(c1n2CCCCCc2nn1)c1nnc(cc1)C(=O)O	PC-id_60792583	291.329	CCJDIFXYNHSMTJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030625
S(c1n2CCCCCc2nn1)c1nnccc1C(=O)O	PC-id_80518419	291.329	WIDXFSFCRFTNEA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-030626
[se]1cc2SCC(CC)(CC)CSc2c1	PC-id_59566399	291.335	JKCXFAINVDYQLU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030627
[se]1c(c2SCC(CSc2c1C)(C)C)C	PC-id_59566428	291.335	QPBOBKSQPYKTON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030628
OC1CCCCc2c1cn(c2)CC(c1ccccc1)(F)F	PC-id_116790136	291.336	FOUNBPUPGMFBCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-030629
CC1CN(Cc2ccc(cc2)C(F)F)Cc2c(C1)[nH]nc2	EMOLS-id_319199250	291.339	GDQWNONUTUMEOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030630
Fc1ccc(cc1F)CCCN1CCCc2c(C1)c[nH]n2	EMOLS-id_320092198,MCULE-4922832997	291.339	HZZKBCQAMYWFBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030631
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[O-]S(=O)Oc1cc(c2-c1cc(ccc2)C(C)C)C(=O)C	PC-id_139330332	291.342	CQNSTWFGVQFSPB-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-030635
c1ccc(cc1)CNC(c1cc2-c(ccccc2)c1)C(=O)O	PC-id_134846271	291.344	RZEOXCJGOOOJEU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-030636
Fc1ccc(nc1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-5167110548,EMOLS-id_320011061	291.344	GPHFTHQDJKQWCV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030637
Fc1cncc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319353584	291.344	IAFOVBDZWMVCOG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-030638
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OC(=O)C(c1ccc2-c1ccccc2)NCc1ccccc1	PC-id_122388570	291.344	HKCHZRRLCIYXEK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-030642
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c1(C(=O)N2CCC(CC2)C(=O)O)c2CCCCCc2[nH]n1	MCULE-4209681426,EMOLS-id_323255736	291.346	LAPPKBQDUWOXBD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030647
CCC(=O)N1CCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102134059	291.346	WHMVAAGNCCBMQP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030648
CCN1CC(CC1=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101406655	291.346	CPLKAIPDJQFZRP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030649
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CC(=O)N1CC(CC(=O)N2CCCO2)Cn2cccc2C1	EMOLS-id_313809197	291.346	OEFFIBAPTUTFFV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030655
CC(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102688555	291.346	PWXPQAQWBGDBKC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030656
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CN1CCN(CC1=O)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_99613964	291.346	IHMUVCRWTMCWHI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030658
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s1c2CCCCCc2cc1C(=O)N(CC(=O)O)CC#C	PC-id_79274753	291.365	IEJGSTPIDFFVOW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030729
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC#C	PC-id_9402986	291.365	OCVGUWOPBXCOJE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-030730
CN(C(=O)c1c[n+](c2-c1ccccc2)Cc1ccccc1)C	PC-id_101263497	291.367	RQIRIUBISFIPMP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-030731
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c1(sc2c(CCCCC2)n1)NC(=O)c1c(C)noc1C	EMOLS-id_320485430,MCULE-3131048739	291.369	CVVAXFNEVGRWCK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030735
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccccc1	EMOLS-id_319338215	291.369	QZZUJZYFAOIZLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030736
Cc1ccccc1Cc1nnc2n1CCS(=O)(=O)CC2	EMOLS-id_313166914,ZINC22_630951899,MCULE-6451153802	291.369	QJLCXKFBBZXBDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030737
Cc1cc(C(=O)Nc2nc3c(s2)CCCCCC3)no1	EMOLS-id_110657626,MCULE-3589829530,ZINC22_299136781	291.369	GAJKBZRDTDRYRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030738
Cc1cc(C(=O)Nc2nc3c(s2)CCCCCC3)on1	EMOLS-id_110644760,ZINC22_48925980,MCULE-5839306347	291.369	JXSIFSXTBROJQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030739
C(c1c2-c(c(c1)C)ccccc2)c1c2-c(c(c1)C)ccccc2	PC-id_12667294	296.405	AQMRFIPBJSQVAW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034069
Cc1ncc(CNC(=O)c2noc3c2CCCCC3)s1	PC-id_136533912,ZINC22_129683178,MCULE-6358413435,EMOLS-id_316925442	291.369	GEDBVDMZAIHJOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030740
Cc1noc(c1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319431629	291.369	FIGOJZZFSSYFFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030741
Cc1noc(n1)CNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98622836	291.369	DDVZVZVMNNLGFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030742
Cc1oc(c(n1)C)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318912290	291.369	REVHKAVOBFTUNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030743
Cc1onc(c1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319037056	291.369	VZUZFCPGOUYQQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030744
Cc1onc(c1)CC(=O)Nc1nc2c(s1)CCCCC2	PC-id_95950780	291.369	OMGHXJCEDXBMDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030745
Cc1sc2c(n1)CCCCN2C(=O)c1c(C)noc1C	MCULE-5858860565,EMOLS-id_320254518	291.369	IVSSUQIXIGQMSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030746
Cc1sc2c(n1)CCCCN2C(=O)c1nc(oc1C)C	EMOLS-id_319099045	291.369	DGBOJIRJONWFQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030747
CCc1nocc1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319442264	291.369	YYBIQMZEGVWRHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030748
CCc1onc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318835215	291.369	YIGLTRLRSWVKET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030749
CCNc1nc(C(=O)N2CCCc3occc3C2)cs1	PC-id_136543666,MCULE-3009367780,EMOLS-id_316818671,ZINC22_290788158	291.369	XDMOPWVDEIQLDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030750
CCNc1ncc(s1)C(=O)N1CCCc2c(C1)cco2	MCULE-4008293116,EMOLS-id_318577801	291.369	GPHZAYFGSXCDOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030751
CCOc1[nH]nc(c1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318640055	291.369	JNRUBEXOPZGTAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030752
CCOc1[nH]nc(c1)C(=O)N1CCCCc2c1ccs2	EMOLS-id_318740895	291.369	SMSWWUNIOVDXJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030753
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccccc1	EMOLS-id_101945967	291.369	WLLIZLVSLCQWCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-030754
Cn1nc(c(c1)CN1CCCc2c(C1)ccs2)C(=O)O	EMOLS-id_318433778,MCULE-4174478967	291.369	QKGUSXSAEDXINS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030755
CNC1C(=O)N(CCc2c1occ2)Cc1cnc(s1)C	PC-id_23555071,SCHEMBL14172458	291.369	VUXVJYCJXJSLQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030756
CNC1C(=O)N(CCc2c1scc2)Cc1cnc(o1)C	PC-id_23555065,SCHEMBL14172227	291.369	OFEBBCBMHKNYJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030757
CN(C(=O)c1noc2c1CCCCC2)Cc1nccs1	EMOLS-id_100125366	291.369	VVBGWSVLYQVFDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030758
COC1CN(Cc2ccnn2C1)C(=O)Cc1cccs1	EMOLS-id_50010198	291.369	ABYBITACZOJPJW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030759
COC1CN(Cc2ccnn2C1)C(=O)Cc1ccsc1	EMOLS-id_50010248	291.369	RXDMWOSUQKAGGX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030760
COc1cn[nH]c1NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_319286887	291.369	GZOOFWOCPBJOTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030761
COc1nn(C)c2c1CCCN(C(=O)c1ccsc1)C2	PC-id_97515486,EMOLS-id_44366588,ZINC22_96254435	291.369	MVKNGNHUOMBIQL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030763
COCC1CN(Cc2ccnn2C1)C(=O)c1ccsc1	EMOLS-id_44326795	291.369	DVQZAYSCKBQFHJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030764
COCC1CN(Cc2nccn2C1)C(=O)c1cccs1	EMOLS-id_46148451,PC-id_118740974	291.369	BHEZOXAXWWEGAR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030765
COCC1CN(Cc2nccn2C1)C(=O)c1ccsc1	EMOLS-id_46148437	291.369	UWZBIKMSNVIAQG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030766
COCc1ncn2c1CN(CCC2)C(=O)c1cscc1	PC-id_97405851	291.369	GHBDMUYYTUUVMH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030767
COCc1sccc1C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_316652122	291.369	WDTJZIMMRCXJJF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030768
COC[C@H]1CN(C(=O)c2cccs2)Cc2nccn2C1	PC-id_97381754,ZINC22_96059101	291.369	BHEZOXAXWWEGAR-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030769
COC[C@@H]1CN(C(=O)c2cccs2)Cc2nccn2C1	PC-id_97381755,ZINC22_96059102	291.369	BHEZOXAXWWEGAR-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-030770
COC[C@@H]1CN(C(=O)c2ccsc2)Cc2ccnn2C1	PC-id_97463322,ZINC22_96188897	291.369	DVQZAYSCKBQFHJ-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030771
COC[C@H]1CN(C(=O)c2ccsc2)Cc2ccnn2C1	ZINC22_96188896,PC-id_97463321	291.369	DVQZAYSCKBQFHJ-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-030772
COC[C@H]1CN(C(=O)c2ccsc2)Cc2nccn2C1	PC-id_97381740,ZINC22_96059087	291.369	UWZBIKMSNVIAQG-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030773
COC[C@@H]1CN(C(=O)c2ccsc2)Cc2nccn2C1	PC-id_97381741,ZINC22_96059088	291.369	UWZBIKMSNVIAQG-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-030774
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CO[C@H]1CN(C(=O)Cc2cccs2)Cc2ccnn2C1	ZINC22_247814091	291.369	ABYBITACZOJPJW-LBPRGKRZSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030776
CO[C@@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn2C1	ZINC22_247886459	291.369	RXDMWOSUQKAGGX-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030777
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COC(=O)C1CCc2n(CC1)c(nn2)Cc1cscc1	MCULE-2675935388,EMOLS-id_316952640	291.369	RPUMEYFCYQOFLJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030779
COC(=O)[C@@H]1CCc2nnc(Cc3ccsc3)n2CC1	ZINC22_601044849	291.369	RPUMEYFCYQOFLJ-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030780
COC(=O)[C@H]1CCc2nnc(Cc3ccsc3)n2CC1	ZINC22_601044850	291.369	RPUMEYFCYQOFLJ-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-030781
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N#CC1CSCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_102600614	291.369	MPDXZUPLIOSEMZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030783
NCc1occ(c1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_302295775,PC-id_120448311,MCULE-3795896193	291.369	JETNHWHSCGITOJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-030784
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O=c1sc2c(n1Cc1nc(C3CC3)no1)CCCCC2	ZINC22_89819230,PC-id_71930490,MCULE-1019669586,EMOLS-id_45651503	291.369	HVOMTSHYXHOBNF-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-030788
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OCCn1ncc(c1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319361684	291.369	KXEQCUMMMSGUFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030795
O=C(N1CCCc2c(C1)cco2)NCCc1cscn1	EMOLS-id_318542668	291.369	ORQXGNSDMBLECM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030796
O=C(N1CCCc2c(C1)cco2)NCCc1nccs1	EMOLS-id_318762789	291.369	GRUPAPGRQRSHDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030797
O=C(N1CCCc2c(C1)ccs2)CCc1nnc(o1)C	MCULE-9574534626,EMOLS-id_316444020	291.369	SBMRSGDLNKVMML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030798
O=C(N1CCCc2c(C1)c(=O)n(n2C)C)c1ccsc1	PC-id_97392154	291.369	PDPBOAVTAFIJOQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030799
O=C(N1CCCCc2c1sc(n2)C)CCc1nocc1	MCULE-4179605530,EMOLS-id_320304499	291.369	PMPQCPPRPSHYOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030800
OC(=O)c1scc(c1)CN1CCCc2c(C1)cnn2C	MCULE-7609657950,EMOLS-id_318463425	291.369	HXNWHPDWAQCPCD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030801
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s1c2CCCCCc2nc1N/C=C(/C(=O)OCC)C#N	PC-id_21236046	291.369	YQCMHKWCXUMEEK-MDZDMXLPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030805
s1c2CCCCCc2nc1NC=C(C(=O)OCC)C#N	PC-id_73750480	291.369	YQCMHKWCXUMEEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030806
s1c(CC2CCc3ncoc3C(NC)C2=O)cnc1C	PC-id_60074670	291.369	KBLAXIQIRDWNCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030808
s1c(CC(c2[nH]c3CCCNC(=O)c3n2)CO)ccc1	PC-id_50964172	291.369	GJSRZFGTQNUQPD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030809
s1c(C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1C	PC-id_60746981	291.369	BMYZHWODOQQFHW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030810
Cc1ccc(s1)CNC(=O)C1CCn2c(CC1)nnn2	MCULE-2971867324,EMOLS-id_316880306	291.372	ROOCQTURIBFJGB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030811
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnn(c1N)C	MCULE-5726969991,EMOLS-id_320217094	291.372	ZFOIKVLBXMRSKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030812
Cc1nnc(s1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_316614285	291.372	SUOMUWLBQCRFNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030813
Cc1sc2c(n1)CCCCN2C(=O)c1nc(n(n1)C)C	EMOLS-id_319366106	291.372	GHRCSGZTQNJXHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030814
Cc1scc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319048917	291.372	CMBUNJKSNMWLEJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-030815
Cc1scc(n1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319183573	291.372	PIPOHAOVRJDZRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030816
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CCOC(C(=C)C)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319716437	291.389	HKYUABQYSMZOTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030914
CCOC(=O)C1=CNCC(c2c1nn(c2)C(C)(C)C)(C)C	SCHEMBL17777903,PC-id_137103998	291.389	SHBDVWXRQXVELF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-030915
CN1CC(C(C1)(C)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_319087691	291.389	XYBDANZSEVBGQL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030916
CN1CCC(CC1C)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_102638489	291.389	QINOOGWUGYANFV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-030917
CN1CCCC(C1)N(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_102387377	291.389	PXCIMEWAMXLDJT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030918
CN1CCC(CC1)N(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_102677287	291.389	IVQXWNWDSGVBRV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030919
CN1CCN(C(C1)(C)C)C(=O)c1noc2c1CCCCC2	EMOLS-id_102428875	291.389	YRMBNYLGOWYEBH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030920
CN(C1CCCN(C1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_102602074	291.389	KYRWMACXSSSZOF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030921
CN(C1CCN(CC1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_102278978	291.389	OYSXAMRAOYNZOI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030922
CNC1C(=O)N(CCc2c1ocn2)CC1CCCCCC1	PC-id_23554848,SCHEMBL14171224	291.389	IAMDQTCSIZKCFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030923
CNC[C@@H]1CCCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_319726197	291.389	RFKOQHHWPRLPQS-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030924
COC1(CCC1)CCn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_316444784,MCULE-1263896351	291.389	DPOKVNZOIHSDGI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-030925
COC1(CCCCC1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_102915399	291.389	GKQSXQCLCQEYCH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030926
COCCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)(C=C)C	EMOLS-id_318952977	291.389	RPEUSPYRWZUUTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030927
NCC1CN(CCC1C)C(=O)c1noc2c1CCCCC2	EMOLS-id_102899518	291.389	IOZCFBIDAXMADU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030928
NCC(C1CCCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_102103847	291.389	WAKKBQNRUQIITG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030929
O1C(CCC1)CNC(=O)Cn1nc2c(CCCCCC2)c1	PC-id_20892492	291.389	RYJCOCJGJUDWMW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030930
O1C(CCCc2[nH]c3CC(CNC(=O)c3n2)(C)C)CCC1	MCULE-7550356190,EMOLS-id_232802059,PC-id_50974358	291.389	LOXKTZGWTDWYJL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030931
O1CCC(NC(=O)Cn2cc3C(N)CCCCc3c2)CC1	PC-id_83209234	291.389	OCIPSHCAMLSCKE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-030932
O1CCN(C(=O)Cn2cc3C(NC)CCCCc3c2)CC1	PC-id_83210229	291.389	YUEVSBCYDRAKQI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030933
OC1c2c(CCCC1)cn(c2)CC(=O)N1CCN(CC1)C	PC-id_83211519	291.389	OBADKNSCLUBMGR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030934
OC1CCC(CC1)(C)NC(=O)c1cnc2n1CCCCC2	MCULE-5320089129,EMOLS-id_320073896	291.389	YJHADRHNFLEKHI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030935
OC(C1CC1)CC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319537230	291.389	FFZAEMHEJSPFEJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030936
O(CC1CCCCC1)C(=O)N1CCCc2[nH]cnc2CC1	PC-id_20803094	291.389	SGJRGJXIKCXGLN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030937
OCC1CCCCCN1C(=O)c1cnc2n1CCCCC2	EMOLS-id_316551042	291.389	WICHMDCTEFRMAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030938
OCC1CCC(N(C1)C(=O)c1n[nH]c2c1CCCCC2)C	MCULE-8763146445,PC-id_121517404,EMOLS-id_53793933	291.389	BLMYVKPQUOVNKQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030939
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OCCC1CCCCN1C(=O)c1n[nH]c2CCCCCc12	MCULE-1683237972,EMOLS-id_334707689	291.389	ZTLGVOUTDZYYIY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030943
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O[C@H]1CCCC[C@@H]1CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845240	291.389	QKACVGZAYXQFFB-DOMZBBRYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030946
O[C@@H]1CCC[C@H]1CC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318925876	291.389	GCBAEGVNMPUGJN-SMDDNHRTSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030947
O=C(N1CCc2c(CC1)nc[nH]2)OCCC1CCCCC1	PC-id_142022548	291.389	DKMMPNXCGLBIJX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030948
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s1c2CCCC(=O)N(c2cc1)CC(=O)c1sccc1	PC-id_63749155	291.389	GWLAUCSFLKOIIF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-030954
c12nnnn1CCCCC2C(=O)N(CC)C1CCCCC1	MCULE-9984212287,EMOLS-id_49656106,PC-id_74238529	291.392	UMUMOFWSLKJOMA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030955
c1(C(C)NC(=O)C2CC2)nnc2CCN(CCC)CCn12	PC-id_45176888,MCULE-8826576199,EMOLS-id_20427955	291.392	XSLNYZRVSSHBIT-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030956
C1CN(CC2CC2)Cc2nnc(CN3CCOCC3)n2C1	PC-id_97519777,EMOLS-id_44370936,ZINC22_96259695	291.392	BPBFBCSJUISNHZ-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-030957
CC1CC(C1)NC(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_111473822	291.392	AGTHGKARPJDOIO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-030958
CC1CC(CCC1C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102176438	291.392	JROIBUKQWXMVNQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030959
CC1CCCCC1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319884650,MCULE-5625337751	291.392	DDUFPXWMJIGZCY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030960
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CC1CC(C)CC(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179696	291.392	IAEJFVQGJSWLGP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030961
CC1CCCCN1C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_102301758	291.392	KXIDHMNBGLPJFG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030962
CC1CCC(N1C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_102629712	291.392	BYPSJBIOMVWECF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030963
CC1CCCN(C1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_102328635	291.392	RZVFXBGVWMXIRF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030964
CC1(C)CCN(C(=O)NCc2nnc3n2CCCCC3)C1	ZINC22_73523067,MCULE-9109872861,EMOLS-id_189705028	291.392	RWRGMJNDJMTJFO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030965
CC1CCN(C1C)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_102680406	291.392	HDCLGHTZKCIBHI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030966
CC1CCNC1C(=O)NC(c1nnc2n1CCCCC2)C	PC-id_102778158	291.392	XSXCDUUIVSRRIJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030967
CC1CCN(CC1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_102342481	291.392	COXDVTAOLNCRSW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030968
CC1CN(CC1C)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_102275903	291.392	WSLHFFKCOPDRFK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030969
CCC1CCCC1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319622032	291.392	CFDPOVHKYRDOAF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030970
CCC1CCCCC1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102177890	291.392	SWNKVLCOFVHXJL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030971
CCC1(CCCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179651	291.392	HSCLXVAJMTXACI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030972
CCC1CN(C)CCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316480155	291.392	IWAKOUAQZYCHEI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030973
CC(CC1(CCC1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102182502	291.392	MJWNYJXDVFHZIW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-030974
CCCC1CCCC1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102176417	291.392	QGWMUDIJDSDSEL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030975
CCC(c1nnc2n1CCCCC2)NC(=O)N(C1CC1)C	EMOLS-id_111685637	291.392	VIOKDBHXGYXGTP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030976
CC[C@@H]1CC[C@H](CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179594	291.392	XJUOZSWDQUIHGD-TWEVBFGDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030977
CCCN1CCc2nnc([C@@H](C)NC(=O)C3CC3)n2CC1	CoCoCo_1169731,CoCoCo_1169730,ZINC22_11788302	291.392	XSLNYZRVSSHBIT-LLVKDONJSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030978
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CCCNn1c(COCC)nc2=C(N)N=C(C(C=c12)C)C	PC-id_143196675	291.392	JRZVYAWBPIVCFO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-030980
CC(C(=O)NC1CCn2c(CC1)nnn2)CC1CCCC1	EMOLS-id_102160297	291.392	XKTZUYUAGOGJAM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030981
CC(C(=O)NC(c1nnc2n1CCCCC2)C)C1CNC1	PC-id_116675738	291.392	AASBIOLYWBQJOG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-030982
C[C@@H]1CC[C@H](CC1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319160050	291.392	GVKXBLRTYFPMKP-HAQNSBGRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030983
C[C@@H]1CNC[C@H]1C(=O)NC(c1nnc2n1CCCCC2)C	PC-id_105572605	291.392	JNRNJEFEIBXYCN-IGBJHFKCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030984
CCN1CCCN(CC1=O)Cc1nnc2n1CCCCC2	EMOLS-id_99998617	291.392	DIYBHSPGUVTKAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030985
CCN(C(=O)[C@@H]1CCCCn2nnnc12)C1CCCCC1	ZINC22_97546613,PC-id_97906330	291.392	UMUMOFWSLKJOMA-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030986
CCN(C(=O)[C@H]1CCCCn2nnnc12)C1CCCCC1	ZINC22_97546614,PC-id_97906331	291.392	UMUMOFWSLKJOMA-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030987
CC(=O)N1CCCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_110955299	291.392	CBIZPNJKWSBJOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030988
CN1CC(C(C1)(C)C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319762665	291.392	XTNKMHGYGKZBHN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030989
CN1CCCC1C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_110922329	291.392	GJFVLHZFHRHLTL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030990
CN1CCCC[C@H]1C(=O)NCc1nnc2n1CCCCC2	MCULE-7263623502,EMOLS-id_320223830	291.392	NROGZXHIVPNRKQ-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030991
CN1CCC[C@@H]1C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_316711227	291.392	GJFVLHZFHRHLTL-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030992
CN1CCN(CC1)C(=O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319286469	291.392	PMYZGLQHKWLCSG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030993
CN1CCNCC1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319852117	291.392	SHPWLRBUKMVUCT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-030994
CN1CCN(CC(C1)C(=O)N1CCCc2c(C1)c[nH]n2)C	EMOLS-id_278991250	291.392	LFWFIDOFMIYJEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-030995
CN(C1CC1)CCNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101726088	291.392	MFTPJWSMQMUMDB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-030996
CN(C1CCc2nnc(C)n2CC1)C(=O)NC1CCCC1	MCULE-7488918639,PC-id_91910795,EMOLS-id_50590470	291.392	UGSQJXIYJSCYEZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030997
CN(Cc1cnc2n1CCN(CC2)C(=O)N1CCCC1)C	PC-id_97390183	291.392	HYEQDENXKDOOLL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030998
CN(C)C(=O)N1CCc2ncc(CN3CCCC3)n2CC1	PC-id_97390202,ZINC22_96067896,EMOLS-id_46161829	291.392	VFNZPWWXYIWOCL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-030999
CNC(=O)C1CCCC1NCc1nnc2n1CCCCC2	EMOLS-id_98509418	291.392	QZCMDAWKQUSBSV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031000
CN(C(=O)[C@@H]1CCCN1C)Cc1nnc2n1CCCCC2	EMOLS-id_278262383	291.392	QGIGOFBEGVFBEB-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031001
CN(C(=O)[C@H]1CCCN1C)Cc1nnc2n1CCCCC2	EMOLS-id_320097210,MCULE-2361778592	291.392	QGIGOFBEGVFBEB-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031002
CN(C(=O)CN1CCCC1)Cc1nnc2n1CCCCC2	EMOLS-id_316675367	291.392	IMCDTWMVFUGENP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031003
CN(C(=O)NCCc1nnc2n1CCCCC2)C1CCC1	EMOLS-id_111233776	291.392	NBJFMHMIIPNQCL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-031004
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n12CCNCCc1nnc2CCNC(=O)C1CCCCC1	EMOLS-id_68911165,MCULE-1337379166,PC-id_118759815,ZINC22_299780750	291.392	BCBRQLFDVYCUCK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031006
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CC([C@H]1CCCCN1)NCCc1nnc2n1CCCCC2	EMOLS-id_102122101	291.435	PIOWNCQCLUQZPW-ARLHGKGLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031207
CC([C@@H]1CCCCN1)NCCc1nnc2n1CCCCC2	EMOLS-id_102122104	291.435	PIOWNCQCLUQZPW-KZUDCZAMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031208
CCCN1CCc2n(CC1)c(cn2)CN1CCN(CC1)C	PC-id_97467073	291.435	VWXNFZLKUBMNJH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031209
CC(NC1CCn2c(CC1)nnn2)CCC1CCCCC1	EMOLS-id_102000486	291.435	CDNGJEPLSSMPOB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031210
CN(C)CCN1CCc2ncc(CN3CCCC3)n2CC1	PC-id_97415418,ZINC22_96100084,EMOLS-id_46339543	291.435	RQHVRXBEMVBXLP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031211
N1(C(CCCC1)CNC(c1n2CCCCCc2nn1)C)C	PC-id_62658859	291.435	HFMPNNHVVKSOQA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031212
N1(CC(CCC1)CNC(c1n2CCCCCc2nn1)C)C	PC-id_62659056	291.435	OBPMUNFTLPOUJI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031213
N1(CCC(CC1)CNC(c1n2CCCCCc2nn1)C)C	PC-id_62659057	291.435	SKXVYUQKFGLCBE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031214
N1(CCC(NC(c2n3CCCCCc3nn2)C)CC1)CC	PC-id_43746928	291.435	ZASBLIDORPEDHM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031215
N1(C(CC(NC(c2n3CCCCCc3nn2)C)CC1)C)C	PC-id_81297068	291.435	ABYXQPFHPAWMJL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031216
N1C(CC(NC(c2n3CCCCCc3nn2)C)C)CCC1	PC-id_79538311	291.435	SLGJJXNBPNWWPE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031217
N1(CC(NC(c2n3CCCCCc3nn2)C)CC1)C(C)C	PC-id_61978727	291.435	JEXXZBADSVDXJW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031218
N(C1C(CCCC1)CN)C(c1n2CCCCCc2nn1)C	PC-id_65839523	291.435	CJEORHVTMBGGQU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031219
N(C1CCCN(CC1)C)C(c1n2CCCCCc2nn1)C	PC-id_65070532	291.435	YWHKQSWXEAEHRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031220
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccs1	PC-id_19985815,SCHEMBL7293137	291.435	OKHAOYDNMNVQMY-HNQUOIGGSA-N	00000000100100000101000000000010000000000000000000000000	31-01-031221
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cscc1	SCHEMBL7286189	291.435	TZEJZBQSYVLJFG-OWOJBTEDSA-N	00000000100100000101000000000010000000000000000000000000	31-01-031222
s1c2CCN(CCc2nc1N)CC=Cc1ccsc1	PC-id_54341373	291.435	TZEJZBQSYVLJFG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-031223
s1c2CCN(CCc2nc1N)CC=Cc1sccc1	PC-id_54154813	291.435	OKHAOYDNMNVQMY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-031224
c1(cc2c(CCCCCC2)s1)C(=O)N1CCC(CC1)C	EMOLS-id_16623154,PC-id_25236293,MCULE-9621047706,CoCoCo_1070276,ZINC22_16603009,TIMTEC543024	291.451	XDPYMWVOKDWMRO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031225
CC1CCC(C1)NC(=O)c1sc2c(c1)CCCCCC2	PC-id_114550264	291.451	CTKQVBVIEUEPDB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-031226
CC1CCCCN1C(=O)c1sc2c(c1)CCCCCC2	PC-id_112792981	291.451	SEVOQLLFSKPRSD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031227
CC1CCCN(C1)C(=O)c1sc2c(c1)CCCCCC2	PC-id_112762844	291.451	MWIFBNQHORXCIH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031228
CC(C)[C@@H]1CCCN1C(=O)c1cc2c(s1)CCCCC2	ZINC22_63815262,PC-id_95045686	291.451	KMVRFRLYFKASFZ-AWEZNQCLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-031229
CC(C)[C@H]1CCCN1C(=O)c1cc2c(s1)CCCCC2	ZINC22_71830010,PC-id_95585379	291.451	KMVRFRLYFKASFZ-CQSZACIVSA-N	00000010100000000100000000000010000000000000000000000000	31-01-031230
CCCNC(c1cc2c(s1)CCCCC2)C1=CCCO1	PC-id_102653742	291.451	UJXLMAPUILIPNJ-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-031231
C[C@@H]1CC[C@H](CC1)NC(=O)c1csc2c1CCCCC2	CoCoCo_2171551	291.451	HXVCDFGJYZGTKT-JOCQHMNTSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031232
C[C@@H]1CC[C@@H](CC1)NC(=O)c1csc2c1CCCCC2	CoCoCo_2171552	291.451	HXVCDFGJYZGTKT-BETUJISGSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031233
CCNC(c1cc2c(s1)CCCCC2)C1=CCCCO1	PC-id_102649104	291.451	KITMRVWAQHWGSD-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-031234
CCNC(c1cc2c(s1)CCCCC2)C1=COCCC1	PC-id_105033027	291.451	MYRALRSGMXUTGB-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-031235
O=C(c1cc2c(s1)CCCCC2)NC1CCC(C1)(C)C	PC-id_114550400	291.451	BUYZNLVNOOKYAL-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-031236
O=C(NC1CCCCCC1)c1cc2c(s1)CCCCC2	MCULE-7248037267,ZINC22_6549724,PC-id_7996122,CoCoCo_3634581,EMOLS-id_3500020	291.451	CSVCHPJSBNIOKQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031237
s1c2c(CCCCCC2)cc1C(=O)NC1CCCCC1	PC-id_60629354	291.451	QWSBHHNJMNNNGD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031238
c1(csc2CCCCCc12)C(=O)NC1CCCCCC1	CoCoCo_2171516,EMOLS-id_16062753,PC-id_20881832,MCULE-5648621380	291.452	YLRAJVUOPLIBQA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031239
CC1CCCCC1NC(=O)c1csc2c1CCCCC2	EMOLS-id_16062825,PC-id_20881860	291.452	FKPKBHUTSZRMOY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031240
CC(C1CCCN1C(=O)c1cc2c(s1)CCCCC2)C	PC-id_56799230,MCULE-7347146246,EMOLS-id_37011319	291.452	KMVRFRLYFKASFZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-031241
C[C@H]1CCCC[C@@H]1NC(=O)c1csc2c1CCCCC2	CoCoCo_2171556,PC-id_92251985	291.452	FKPKBHUTSZRMOY-WFASDCNBSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031242
C[C@@H]1CCCC[C@H]1NC(=O)c1csc2c1CCCCC2	CoCoCo_2171557,PC-id_92251986	291.452	FKPKBHUTSZRMOY-IUODEOHRSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031243
C[C@H]1CCCC[C@H]1NC(=O)c1csc2c1CCCCC2	CoCoCo_2171558,PC-id_92251987	291.452	FKPKBHUTSZRMOY-SWLSCSKDSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031244
C[C@@H]1CCCC[C@@H]1NC(=O)c1csc2c1CCCCC2	PC-id_92251984,CoCoCo_2171555	291.452	FKPKBHUTSZRMOY-DOMZBBRYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031245
s1c2c(CCCCC2)cc1C(=O)N1CCC(CCC1)C	PC-id_56180250	291.452	NMQXCIHFJNYFRG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031246
s1c2c(CCCCC2)c(C(=O)NC2CCC(CC2)C)c1	PC-id_20881859	291.452	HXVCDFGJYZGTKT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031247
s1c2c(CCCCCC2)cc1C(=O)N1CCCCCC1	PC-id_60629209	291.452	RTYPFZZPRHZXLB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031248
CCCC(C(=N)N1CCCc2c(C1=N)ccs2)CCC	PC-id_141859752	291.455	RWWPMEMLXOUGFW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031249
s1c2c(CCCCC2)cc1/C(=N/C1CCCCC1)/NN	PC-id_63463136	291.455	ZHRHVGGXUKNMKP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031250
OC1c2c(CCCC1)cn(CCCCCCCCCC)c2	PC-id_83210587	291.471	HZLDMZPKNAAXDN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031251
CC(C(CC1CCCCCc2c1n(nn2)C(C)(C)C)C)C	PC-id_134576740,SCHEMBL20228091	291.475	XYZLVXFMRKZJLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031252
CC(C)C(C)n1c2c(CC(CCCC2)CC(C)(C)C)nn1	PC-id_134564972,SCHEMBL20214930	291.475	VPOBSCBEMPQIRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031253
CCNC(c1cscc1)c1cc2c(s1)CCCCC2	PC-id_104988237	291.475	POFKSBJBJFVIEM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-031254
CNC(c1ccsc1C)c1cc2c(s1)CCCCC2	PC-id_102840599	291.475	PKQVYFWTPSWUQB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-031255
CNC(c1csc(c1)C)c1cc2c(s1)CCCCC2	PC-id_104991484	291.475	DSSMQHCDKNOMGC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-031256
n1(cc2C(NCCC)CCCCc2c1)CCN(CC)CC	PC-id_83209494	291.475	JAXTVUGRLYJVEP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031257
NC(c1cc2c(s1)CCCCC2)CCc1cccs1	PC-id_115861163	291.475	PSKTZYGHCKNNPM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-031258
NC(c1cc2c(s1)CCCCC2)CCc1cscc1	PC-id_115857233	291.475	XOJQPNSPECUGKU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-031259
[nH]1c2CCCCCCCCCCc2nc1CNCC(C)C	PC-id_63925769	291.475	RRZZEDDFOQIGEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031260
[nH]1c2CCCCCCCCCCc2nc1CNC(C)(C)C	PC-id_63926180	291.475	KKEXGZPXLABDLI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031261
s1c2c(CCCCC2)cc1C(N)c1c(sc(c1)C)C	PC-id_43464517	291.475	BGFYERJURGYYQB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-031262
s1c2c(CCCCC2)cc1C(N)c1sc(cc1)CC	PC-id_43464358	291.475	NXIWZLXPFMLHGC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-031263
s1c2c(CCCCC2)cc1C(N)c1sc(cc1C)C	PC-id_81157476	291.475	OZJQXUUDIMQFIH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-031264
s1c2c(CCCCC2)cc1C(NC)c1sc(cc1)C	PC-id_43480374	291.475	ZBFIAKZKGYPBSJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-031265
s1c2c(CCCCC2)cc1C(NC)c1sccc1C	PC-id_55006576	291.475	ZIMKBWAAVSRSIQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-031266
s1c2c(CCCCC2)cc1C(NC)Cc1ccsc1	PC-id_61077844	291.475	FFEZIJMUNJIELO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-031267
s1c2c(CCCCC2)cc1C(NCC)c1sccc1	PC-id_43490527	291.475	FOZXNCVRCNUXMO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-031268
s1c2c(CCCCC2)cc1C(NC)Cc1sccc1	PC-id_61065506	291.475	YRSAERRQBIBGAR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-031269
Cc1cc(cc2-c(c(=O)[nH]c2SC[Si](C)(C)C)c1)C	PC-id_134997440	291.484	QPMMCIBBZJENDW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-031270
C1CCCCCc2c(CCCC1)c(CNC1CC1)cs2	PC-id_114749034	291.495	SHEIXRAXTSQQKE-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-031271
CC1CCC(CC1C)C(c1cc2c(s1)CCCCC2)N	PC-id_104989564	291.495	MGQXXOMGRWWGSP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031272
CC1CC(C)CC(C1)C(c1cc2c(s1)CCCCC2)N	PC-id_104989061	291.495	JJLHKMLENHSULP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031273
CCC1CCC(CC1)C(c1cc2c(s1)CCCCC2)N	PC-id_104991060	291.495	WPHIKTUJDLVZPA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031274
CCC1CCCC(C1)C(c1cc2c(s1)CCCCC2)N	PC-id_104992564	291.495	AUPVZGVEJBABFL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031275
CCC1CCCCC1C(c1cc2c(s1)CCCCC2)N	PC-id_115862881	291.495	LSSZUPXEAQNINA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031276
C=CCCCC(c1cc2c(s1)CCCCC2)NCCC	PC-id_104986787	291.495	KXKVRPADERZEIF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031277
C=CCCCCCC(c1cc2c(s1)CCCCC2)NC	PC-id_107011285	291.495	OPMXSKONSAIUBR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031278
CCCNC(c1cc2c(s1)CCCCC2)C1CCCC1	PC-id_115778553	291.495	XEFWQHVQIMVXBY-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-031279
CCCNC(c1cc2c(s1)CCCCC2)CC1CCC1	PC-id_115863514	291.495	YRYATOGJHURTQT-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-031280
CCCNC(c1cc2c(s1)CCCCC2)CCC1CC1	PC-id_104994872	291.495	BTDVZJPPFOBONJ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-031281
CCCNC(c1cc2c(s1)CCCCC2)CC(=C)CC	PC-id_105005842	291.495	WBXJSGLIKHOBNQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031282
CCCNC(c1cc2c(s1)CCCCC2)CCC(=C)C	PC-id_105039362	291.495	HUSQQAXSLPJNBM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031283
CCNC(c1cc2c(s1)CCCCC2)C1CCCCC1	PC-id_114980770	291.495	ZAXLHCBTDDQPRV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031284
CCNC(c1cc2c(s1)CCCCC2)CC1CCCC1	PC-id_115847120	291.495	UORFTFBZUWMSPF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-031285
CNC(c1cc2c(s1)CCCCC2)C1CCC(CC1)C	PC-id_104988114	291.495	ZLZDNRQLRFINCR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031286
CNC(c1cc2c(s1)CCCCC2)C1CCCC(C1)C	PC-id_104992113	291.495	UMKMROKRUXJKJZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031287
CNC(c1cc2c(s1)CCCCC2)C1CCCCCC1	PC-id_105027809	291.495	ZYHCIGKQBHWLEC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031288
CNC(c1cc2c(s1)CCCCC2)CC1CCCCC1	PC-id_115842145	291.495	CRJOVFPYRHCNJB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031289
C/C=C/C1CCc2n(C(=C1)SC[Si](C)(C)C)ccc2	PC-id_102345160	291.527	LGQJBRBPOITJIC-FNORWQNLSA-N	00000000100000000110000000000010000000000000000000000000	31-01-031290
Clc1ccc(C(=O)n2c3CCCCCc3oc2=O)cc1	PC-id_85918872	291.73	GBJLLPNDDLGUDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031291
ClCC(=O)c1c2-c(c(c1N)C(=O)OCC)ccccc2	PC-id_15311183	291.73	YOVILKJGTBSQJY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-031292
ClCC(=O)Nc1c(c2-c(c1)ccccc2)C(=O)OCC	PC-id_15311182	291.73	CKAYYZJINSNAHZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-031293
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncncc1Cl	EMOLS-id_319848741	291.736	PTBXSDINHCPBEB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-031298
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Clc1ccc(cc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102171545	291.736	GGFWNUXZYHBDLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031300
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Clc1ccc(c(c1)Cn1cc2c(c1)CCCCC2=O)F	PC-id_103047359	291.748	RCFCXQRZPLHMPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031302
Clc1ccc(c(c1)F)Cn1cc2c(c1)CCCCC2=O	PC-id_114851441	291.748	MTRKCWOYNPHOFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031303
Clc1c(Cn2cc3CCCCC(=O)c3c2)ccc(F)c1	PC-id_83207281	291.748	RXWNYRJEXBONSX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031304
Clc1c(Cn2cc3CCCCC(=O)c3c2)c(F)ccc1	PC-id_83207017	291.748	UKXSDBZVJKDJKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031305
Fc1ccc(c(c1)Cn1cc2c(c1)CCCCC2=O)Cl	PC-id_102617048	291.748	JPFSHVUECACMCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031306
O=C1CCCCc2c1cn(c2)Cc1ccc(c(c1)Cl)F	PC-id_103038764	291.748	SIDQFGFKMPVUPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031307
O=C1CCCCc2c1cn(c2)Cc1cccc(c1Cl)F	PC-id_115983302	291.748	BTOAUHHXZDYZGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031308
O=C1CCCCc2c1cn(c2)Cc1cccc(c1F)Cl	PC-id_102856702	291.748	NQJNMWRBWBYQNI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031309
O=C1CCCCc2c1cn(c2)Cc1ccc(c(c1)F)Cl	PC-id_107883215	291.748	TYFURPDZGZFITR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031310
Cc1ccc(Cl)cc1OCc1nnc2CCCCCn12	EMOLS-id_2701540,ZINC22_4518195,MCULE-6410252202,PC-id_7267322,CoCoCo_2580273	291.776	JZDYNJBKCWJKQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031311
Cc1cc(Cl)ccc1OCc1nnc2CCCCCn12	PC-id_2414970,ChEMBL-DNDi_CHEMBL1299632,CHEMBL1299632,MCULE-9768868410,CoCoCo_3774198,EMOLS-id_3037637,ZINC22_3299382	291.776	AWCDAOHRQOKLBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031312
Cc1cc(OCc2nnc3n2CCCCC3)ccc1Cl	ZINC22_3241575,CoCoCo_3698819,CK2061836,MCULE-5859272499,EMOLS-id_3002302,PC-id_2359027	291.776	UPUFXWOHXZPDST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031313
CC1CN(Cc2cc(O)ccc2Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319774111	291.776	TUGKLNXDYBEROB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031314
Clc1c(n(nc1C)C)Cn1cc2CCCCC(=O)c2c1	PC-id_83207905	291.776	BRANQGDEURYUGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031315
O=C1CCCCc2c1cn(c2)Cc1c(C)nn(c1Cl)C	PC-id_116067499	291.776	KLZKEIASCIZQMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031316
Cc1ccc(c(c1)Cl)CNC1CCn2c(CC1)nnn2	EMOLS-id_318289170,MCULE-1716427862	291.779	RCCQYWIEGSHKGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031317
Cc1c(cccc1Cl)CNC1CCn2c(CC1)nnn2	EMOLS-id_318635242,MCULE-9026126280	291.779	ZRXVPKABIYETOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031318
Cc1cc(CNC2CCn3c(CC2)nnn3)ccc1Cl	EMOLS-id_318060608,MCULE-8224119454	291.779	CAXFXVWLNMDJAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031319
Cc1cc(CNC2CCn3c(CC2)nnn3)cc(c1)Cl	MCULE-5216419889,EMOLS-id_318061376	291.779	FGIHZMXGBXEOII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031320
Clc1cccc(c1)CCNC1CCn2c(CC1)nnn2	EMOLS-id_318315706,MCULE-1699216479	291.779	CJOSTUMRMKWSAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031321
Clc1ccc(cc1)CCNC1CCn2c(CC1)nnn2	EMOLS-id_318388408,MCULE-8196971760	291.779	ZPJWKNLRBDJGLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031322
Clc1ccc(c(c1)C)CNC1CCn2c(CC1)nnn2	MCULE-2332478341,EMOLS-id_318182417	291.779	QCIKQQHFQVJFKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031323
Clc1c(C)ccnc1NCc1nnc2n1CCCCC2	EMOLS-id_318245621,MCULE-3560459147	291.779	CYXHSVYEZVDFJU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-031324
Clc1ccc(nc1)CNCc1nnc2n1CCCCC2	EMOLS-id_318484058,MCULE-1429708177	291.779	DRXQKJAXOJOMPS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-031325
Clc1c(ccnc1C)NCc1nnc2n1CCCCC2	MCULE-2479972335,EMOLS-id_318473908	291.779	DDLORTVNOWNWSQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-031326
Clc1cc(CNC2CCn3c(CC2)nnn3)ccc1C	EMOLS-id_318312637,MCULE-6843670220	291.779	OPNNGNLPMAPJDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031327
Clc1cnccc1CNCc1nnc2n1CCCCC2	EMOLS-id_318207255,MCULE-8146953631	291.779	JNSXUBCGYXSAML-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-031328
Clc1cncc(c1)CNCc1nnc2n1CCCCC2	MCULE-1830296026,EMOLS-id_318624323	291.779	JGWLYXMPYYETBC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-031329
Clc1ccccc1C(=O)N1CCc2c(CC1)ccs2	SCHEMBL11173663,PC-id_13072078	291.796	KRZUDMQHSMJOIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031330
Clc1ccccc1C(=O)N1CCCCc2c1ccs2	PC-id_140983482	291.796	XRODGRDMSCZQCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031331
Clc1c(CN2CCc3sccc3C(=O)C2)cccc1	PC-id_13508770	291.796	SBUUMOWNHOORLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031332
Clc1ccccc1C(c1cc2c(s1)CCCCC2)N	PC-id_115801659	291.839	ZMTZQNQDSQDYMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031333
Clc1cccc(c1)C(c1cc2c(s1)CCCCC2)N	PC-id_115812131	291.839	NBCQCADOXNMRCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031334
Clc1ccc(C(N)c2sc3c(CCCCC3)c2)cc1	PC-id_43463946	291.839	IMMAXHFYJXAIDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-031335
ClC(c1sc2c(CCCCC2)c1)Cc1ccncc1	PC-id_66458973	291.839	JXPNJIRQJHFTOY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-031336
ClC(c1sc2c(CCCCC2)c1)Cc1ncccc1	PC-id_66461380	291.839	LQXILQJJXIHOOF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-031337
O=C1NC(I)C(=O)c2c(N1)nc[nH]2	PC-id_141814526	292.034	IDYKQTXYCMKPNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031338
PPP(n1nnc2c1C(=O)N(C)CC=C2)P	SCHEMBL9881472,PC-id_23592168	292.091	QDLPTDSJICCIMU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-031339
CC(=O)NC1=NC=C(S1)CN2CCC3=C(CC2)ON=C3	PC-id_154685678	292.099	UDKUJUVWINJIDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031340
CC(=O)NC1=NC=C(S1)CN2CCC3=NN=CN3CC2	PC-id_154685657	292.111	QNYFCIZSEXHORT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031341
CC1(CC(C2=C(CNC1)SC(=C2C#N)C(=O)O)(C)C)C	PC-id_155180988	292.125	XTYIXPVAQHTBKL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031342
Brc1c2OC(CN(Cc2sc1)C(=O)O)C	PC-id_77438603	292.15	PAMKDTZVWUCCFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031343
Brc1c2O[C@H](CN(Cc2sc1)C(=O)O)C	PC-id_67959240,SCHEMBL9903354	292.15	PAMKDTZVWUCCFC-YFKPBYRVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031344
CN1CC(=C)c2cc(Br)nn2CS1(=O)=O	PC-id_135343088,SCHEMBL20517427,EMOLS-id_337734041	292.153	FLUAWVQALZEMNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031345
CC1=C(SC2=C1C(=O)NCCC2)C(C)C3CCNCC3	PC-id_154505266	292.161	TWBLYSSWZXHOQW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031346
Ic1c2CCCCCc2sc1C	PC-id_12717968	292.18	PWMQHYYGLQGZMZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031347
Ic1sc2c(c1C)CCCCC2	SCHEMBL10238252,PC-id_68074074	292.18	SCJMIPKZQMCNLN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031348
FC1(F)COc2cscc2OCC(C1(F)F)(F)F	SCHEMBL14587296,PC-id_58807329	292.198	RGUFJLMLFUDLCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031349
c1ccc(cc1)CC1CNCc2c(C1)nn[se]2	PC-id_101606473	292.238	ZXJLRVGCLHMRLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031350
O=C(NCc1nnc2n1CCCCC2)OCC(F)(F)F	ZINC22_48300908,PC-id_47082351,EMOLS-id_32117765,MCULE-8135926145	292.258	FYUOTUKOUFSVGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031351
c1(C(=O)Nc2ccc(cc2F)F)c2CCCCCc2on1	TIMTEC294812,ZINC22_426579,EMOLS-id_15972062,MCULE-5585751199,PC-id_4257436	292.281	LSNNDROSFRMGNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031352
c1(C(=O)Nc2c(cccc2F)F)c2CCCCCc2on1	ZINC22_61721921,STOCK7S-16667,EMOLS-id_35790889,MCULE-3123515068,PC-id_52902855	292.281	KMMALXDFZANOBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031353
c1(C(=O)Nc2c(F)ccc(F)c2)c2CCCCCc2on1	EMOLS-id_21980651,ZINC22_20436056,GD-id_ZINC20436056,TIMTEC151151,MCULE-9816627366,PC-id_17254360	292.281	FOGLPFNMOLRKSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031354
c1(C(=O)Nc2cc(F)cc(F)c2)cn2c(CCNCC2)n1	ZINC22_1875244754,EMOLS-id_331119902,MCULE-7217864932	292.284	SOCGTUKSVVEVAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031355
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(F)cncc1F	EMOLS-id_318910374	292.284	MXGCOMFZMKTDGR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-031356
Fc1ccc(c(c1)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278109767	292.284	MJTQVUUKOINGBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031357
Fc1cncc(c1C(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_316681482	292.284	MMQNNIMRPUMGRO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-031358
Fc1cnc(c(c1)F)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845267	292.284	QPVOCTULUPBKKW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-031359
O=C(c1ccccc1C(F)F)N1CCCn2c(C1)cnn2	EMOLS-id_319363785	292.284	MPHMJPMOICJAFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031360
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)F)F	EMOLS-id_316680439	292.284	ACRQTTTUUDNPFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031361
C1Cn2c(CCC1)nnc2Cn1cc(N(=O)=O)c(OC)n1	EMOLS-id_32217516,MCULE-8849938082,ZINC22_72334169,PC-id_71668833,TIMTEC219846	292.294	INAHLKRMDWGPHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031362
Nc1[nH]c(=O)c2c(c(=O)n1)ncn2CCN1CCOCC1	PC-id_102232694	292.294	IKUJCVHKUPDLJB-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-031363
O=c1n2CCCCCc2nn1Cc1onc(c1)C(=O)NN	PC-id_63579044	292.294	BZRNGIVUVMXZFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031364
O=c1n2CCCCCc2nn1CCn1nnc(c1)C(=O)O	PC-id_43664773	292.294	BJAZVUGAVJNACH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031365
Cn1nc2CCN(CCn2c1=O)C(=O)CCn1cnnn1	EMOLS-id_50585903,PC-id_91922408	292.297	HNPKHCFDMUDXDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031366
Cn1nnc(=NC(=O)Cn2nc3n(c2=O)CCCCC3)[nH]1	ZINC22_1875263929,PC-id_146128840	292.297	WZXKYLUDPOGBMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031367
FCCn1ncc(c1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318440539	292.309	RDIMCLWWHFLXNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031368
s1c2CCCC(=O)N(c2cc1)Cc1onc(c1)C(=O)O	PC-id_63747927	292.31	UTBLCZBROQPIBC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031369
FCCC(=O)N1CCc2nnc(Cn3cccn3)n2CC1	ZINC22_2055713321,EMOLS-id_313726171	292.312	ANTUYLPQLPNNJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031370
Cc1cc(no1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625453	292.314	HSTISTYXADCBJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031371
Cc1c(cno1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625508	292.314	BBSMQWWSJMZMQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031372
c12C(=O)NCCCc1nc(NC(=O)c1cn(C)nn1)s2	ZINC22_211130177,PC-id_72719996,MCULE-4795977463,EMOLS-id_50139235	292.317	YSULQLGQYRUFDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031373
c12C(=O)NCCCc1nc(NC(=O)Cn1cncn1)s2	PC-id_72720006,ZINC22_96124396,MCULE-6913183433,EMOLS-id_48619044	292.317	KTMADOCAUURYIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031374
O=C1C(CSc2n(N1C)ccc2)NC(=O)c1nnc[nH]1	SCHEMBL19031695	292.317	KMLLNPINMYWCSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031375
O=C(N1CCCc2c(C1)ccs2)CNCC(F)(F)F	EMOLS-id_318260952,MCULE-7578532286	292.321	VVGPVYZPQKBTMJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031376
O=C(N1CCCCc2c1ccs2)CNCC(F)(F)F	EMOLS-id_318336291,MCULE-2144419352	292.321	GZKKXOUXNZGGNV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031377
Fc1c(F)ccc(c1C)NCc1nnc2n1CCCCC2	EMOLS-id_318119264,MCULE-7537444654	292.327	RNNZZMGUEHAYRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031378
FC(c1ccc(cc1)NCc1nnc2n1CCCCC2)F	EMOLS-id_318566780,MCULE-3428893246	292.327	KFEKJEOEIRWUNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031379
FC(c1ccccc1NCc1nnc2n1CCCCC2)F	MCULE-6534942821,EMOLS-id_318369725	292.327	OXYOZTRAUXFFJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031380
FC(c1cccc(c1)NCc1nnc2n1CCCCC2)F	MCULE-6699479096,EMOLS-id_318177488	292.327	GLGFHIBUKDMDRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031381
C/C=C/CC(C(=O)O)NC(=O)c1noc2c1CCCCC2	PC-id_120693990	292.33	UZDSWKXHGNUKGA-NSCUHMNNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031382
C=CCCC(C(=O)O)NC(=O)c1noc2c1CCCCC2	PC-id_121891290,EMOLS-id_72494690,MCULE-9676717587	292.33	OETRMCVIGHVGNL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031383
C#CCOc1noc2c1CN(CCC2)C(=O)OC(C)(C)C	PC-id_10039974,SCHEMBL10459656	292.33	ABKVHQLJONTLNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031384
CC(N(C(=O)c1noc2c1CCCCC2)C1CC1)C(=O)O	EMOLS-id_72330316,PC-id_120519260,MCULE-9963186217	292.33	FVTSNNTWOPQJFR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-031385
CCO[C@H]1CCN(C(=O)c2coc3c2C(=O)NCCC3)C1	ZINC22_885323824,MCULE-1397858426,PC-id_136586879,EMOLS-id_316982204	292.33	UVESWLRKYAUYMG-JTQLQIEISA-N	00000010100000000100000000000010000000000000000000000000	31-01-031386
COC(=O)C=CCCNC(=O)c1noc2c1CCCCC2	MCULE-7875096474	292.33	PESYMAZGHHQNMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031387
COC(=O)/C=C/CCNC(=O)c1noc2c1CCCCC2	ZINC22_1875314262,PC-id_146100013,EMOLS-id_324058180	292.33	PESYMAZGHHQNMT-WEVVVXLNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031388
O1C(OC(=O)C(Cc2n3CCCCCc3nc2)C1=O)(C)C	PC-id_17773090,SCHEMBL7957671	292.33	OSVZICDJADVWJK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031389
o1n(c(=O)c2CN(CCCc12)C(=O)OC(C)(C)C)CC#C	PC-id_11779087	292.33	NAFNPJOATFUNJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031390
OC1CN(C(C1)(C)C)C(=O)c1coc2c1C(=O)NCCC2	EMOLS-id_319099756	292.33	COXKXNADYUDYLI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-031391
O=C1NCC(C1OC(=O)c1noc2c1CCCCC2)(C)C	EMOLS-id_278213019	292.33	PCRMFQZDWXFNOA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031392
O=C(c1noc2c1CCCCC2)N1CCC(C1)(C)C(=O)O	MCULE-8423037934,EMOLS-id_57626039,PC-id_120529268	292.33	CRYSDVDQBUZNIY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031393
O=C(c1noc2c1CCCCC2)NC1(CCCC1)C(=O)O	EMOLS-id_57587651,MCULE-7642124525,PC-id_120515084	292.33	ZOKLOIPTSRZACR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031394
O=C(N1CCCC1(C)C(=O)O)c1noc2c1CCCCC2	PC-id_121874940,MCULE-8291625586,EMOLS-id_72462022	292.33	JMXCSSGFXUKSJT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031395
OC(=O)C1CCCCN1C(=O)c1noc2c1CCCCC2	MCULE-7575612490,EMOLS-id_57587351,PC-id_120514947	292.33	QDBAHDVYZYSQQV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031396
OC(=O)C1CCCN(C1)C(=O)c1noc2c1CCCCC2	MCULE-9665659503,PC-id_120512605,EMOLS-id_57583487	292.33	HGBZCMUFLQZJLB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031397
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Cc1cccc(c1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319281558	292.357	YRBCCKQSXHPFIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031487
Cc1ccsc1C(=O)N1CCc2nn(C)c(=O)n2CC1	EMOLS-id_50585863,MCULE-7527572885,PC-id_91910614	292.357	NJNXJFJHTAQDCE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-031488
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1nscc1	EMOLS-id_319375637	292.357	AYTYLJHWKBZSBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031489
Cc1nc2c(s1)N(CCCC2)C(=O)c1[nH]c(=O)[nH]c1C	EMOLS-id_318972817	292.357	GLXBPZDWFMBEHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031490
o1c(CCCCCCCC)cc2c1c(=O)cc(C(C)C)cc2	PC-id_10881131	300.435	ICNLTWCCZFSKGC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-036423
Cc1nnc(s1)N(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_111724338	292.357	UGCUEGHYRIRUDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031491
Cc1sc2c(n1)CCCCN2C(=O)c1[nH]nc(c1O)C	MCULE-5701867516,EMOLS-id_320215424	292.357	UORPRVPHIMJGHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031492
Cc1sc2c(n1)CCCCN2C(=O)Cc1nonc1C	EMOLS-id_319404820	292.357	HLSDJDJENKOMCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031493
CC(c1nnsc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101669647	292.357	LBINUKPMWDHPMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031494
C[C@@H]1CN=C(NC(=O)c2cc3n(n2)CCCCC3=O)S1	ZINC22_1875271741	292.357	VCCPLVUWQVPIKO-MRVPVSSYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-031495
C[C@H]1CN=C(NC(=O)c2cc3n(n2)CCCCC3=O)S1	ZINC22_1875271742	292.357	VCCPLVUWQVPIKO-QMMMGPOBSA-N	00000011100000000101000000000010000000000000000000000000	31-01-031496
Cn1c(=O)n2CCN(CCc2n1)C(=O)Cc1cscc1	EMOLS-id_50585877,PC-id_91910621,MCULE-6591168635	292.357	UHYRUALWOXNKDK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-031497
Cn1nc2CCN(CCn2c1=O)C(=O)Cc1cccs1	MCULE-5075863194,PC-id_110197874,EMOLS-id_96925527	292.357	PMDNBJXNLUNZKW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-031498
CNC1C(=O)N(CCc2c1ocn2)Cc1cnc(s1)C	SCHEMBL14172394,PC-id_23555070	292.357	UXUQUYOAHANGPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031499
CNC1C(=O)N(CCc2c1scn2)Cc1cnc(o1)C	SCHEMBL14172326,PC-id_23555064	292.357	DZKBGQYDXXHOMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031500
COc1[nH]nc(c1)C(=O)Nc1nc2c(s1)CCCCC2	MCULE-8396912765,EMOLS-id_320065194	292.357	NNGBFMWXUYJKRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031501
COc1nn(c2c1CCCN(C2)C(=O)c1cscn1)C	PC-id_97413468	292.357	GNKQLCOFZBGPMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031502
COc1nsc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319198013	292.357	KVXFMUSHRXDNGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031503
COc1nscc1NC(=O)c1n[nH]c2c1CCCCC2	MCULE-7539447972,EMOLS-id_320195827	292.357	UYODEMRPWGEZIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031504
COCc1nnn2c1CN(CCC2)C(=O)c1cscc1	PC-id_97405162	292.357	HVFMRIWZOVMDNV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-031505
n12C(CCCCc1n[nH]c2=O)C(=O)NCc1cccs1	MCULE-1652848212,EMOLS-id_207869284	292.357	CBZNCDVFGZYFMS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-031506
Oc1nn(c(c1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319678257	292.357	KBGVQOHDZJCTIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031507
Oc1nn(c(c1)C(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_318400331	292.357	ALTFYGLEDSAWHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031508
O=C(c1noc2c1CCCCC2)NCc1snnc1C	EMOLS-id_98840403	292.357	FXHKVYWCHHNVRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031509
OCc1scc(n1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319792435	292.357	QLAQAPADCAPZLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031510
OCCn1nnc(c1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_320133814,MCULE-7521715396	292.357	WSRVCLSYHCWGPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031511
O=C(N1CCCc2c(C1)cnn2C)COc1nscc1	MCULE-9159976929,EMOLS-id_320262139	292.357	IEGRHHZYAZFQFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031512
O=C(NCc1csc(=O)[nH]1)c1n[nH]c2c1CCCCC2	EMOLS-id_172319563,ZINC22_188160012,PC-id_122145051,MCULE-7976916406	292.357	FSAIHJASUIAEHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031513
O=S(=O)(Cc1nnc2n1CCCCC2)c1ccccn1	MCULE-4036594879,ZINC22_278868159,EMOLS-id_316188445	292.357	VPBNIXMCDDAWQU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-031514
O=S(=O)(N1CCCn2c(C1)ccn2)Nc1ccccc1	PC-id_143775168	292.357	IVHHVJMNDGMOSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031515
O=S(=O)(N1CCCn2c(C1)cnc2)Nc1ccccc1	PC-id_143775140	292.357	REKFDDKYRXBVPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031516
O=S(=O)(N1CCCn2c(C1)ncc2)Nc1ccccc1	PC-id_143775125	292.357	HDLIOSCGGZLKOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031517
s1c2CCCCCc2cc1C(=O)Nc1[nH]nc(OC)n1	PC-id_83092655	292.357	FCXWPZDKIOGTDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031518
c12C(CCCCn1nnn2)C(=O)NCCc1sccn1	MCULE-5984012934,EMOLS-id_177512078	292.36	UTAYMHSZICMUTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031519
Cc1nc(c(s1)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179585	292.36	DPOVEEQTSWUEQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031520
Cc1nsc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319352734	292.36	XMCQUFMKYIYUPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031521
Cc1sc(c(n1)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166390	292.36	JTYSGAVQQWNGFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031522
CCc1ncsc1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182376	292.36	KTGBHFPYIFPTDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031523
CCn1nnnc1NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_278116408	292.36	UYCQCKAHOYBXOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031524
Cn1nnc(n1)C(=O)Nc1sc2c(n1)CCCCCC2	MCULE-2889451318,EMOLS-id_320171898	292.36	HTWAVZOBUARSJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031525
CN(C(=O)C1CCn2c(CC1)nnn2)Cc1ccns1	EMOLS-id_278966386	292.36	MKDMNLSNWJIHGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031526
COc1cc(nc(n1)N)Sc1nnc2n1CCCCC2	PC-id_108205501	292.36	JQOLISIMXNGAFX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-031527
OC(c1cc2c(s1)CCCCC2)CCCC(F)(F)F	PC-id_115828366	292.36	LJMNNTMOJBKHQP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031528
O=C(C1CCn2c(CC1)nnn2)NCCc1ncsc1	EMOLS-id_316881333,MCULE-9595984356	292.36	KUTARDOJUIUMLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031529
O=C(N1CCCCc2c1sc(n2)C)CCn1cnnn1	EMOLS-id_318855579	292.36	RRKBVNMGKCEACZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031530
O=C(N1CCCCc2c1sc(n2)C)Cn1cnc(n1)N	EMOLS-id_319508099	292.36	KKVXNKQLLNJAKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031531
O=C(Nc1cscc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102006975	292.36	HXRJEFOQYFGRRN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-031532
O=C(Nc1nc2c(s1)CCCCC2)CCc1n[nH]nn1	EMOLS-id_319392739	292.36	KDSAAYIOFDMPNY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031533
O=C(NCc1nnc2n1CCCCC2)Nc1nccs1	PC-id_45820440,ZINC22_43160854,EMOLS-id_31942105,MCULE-7525576824	292.36	SHYFFYTZXMVHIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031534
O=C(NCCc1cscn1)[C@@H]1CCc2nnnn2CC1	ZINC22_575321828	292.36	KUTARDOJUIUMLL-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031535
O=C(NCCc1cscn1)[C@H]1CCc2nnnn2CC1	ZINC22_575321829	292.36	KUTARDOJUIUMLL-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-031536
O=C(NCCc1nccs1)[C@@H]1CCCCn2nnnc12	ZINC22_584904180	292.36	UTAYMHSZICMUTP-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031537
O=C(NCCc1nccs1)[C@H]1CCCCn2nnnc12	ZINC22_584904181	292.36	UTAYMHSZICMUTP-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-031538
s1nnc(C(=O)NCCc2n3CCCCCc3nn2)c1	PC-id_60544201	292.36	MVFWKGNWRPLSAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031539
S(c1n2CCCCCc2nn1)c1ncnc(N)c1OC	PC-id_81727308	292.36	MJIUICMYQQLYLT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-031540
S(c1n2CCCCCc2nn1)c1ncnc(OC)c1N	PC-id_80139024	292.36	FHVVYJUTBVZYRA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-031541
S(c1n2CCCCCc2nn1)c1nc(nc(NN)c1)N	PC-id_80930922	292.363	GXSQVDMOBVMDGD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-031542
S(c1n2CCCCCc2nn1)Cc1nc(nc(n1)N)N	PC-id_8211670	292.363	BAVWQJBWUBKABJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-031543
CNC1CCCCc2c1cn(c2)CCSC(F)(F)F	PC-id_116617092	292.364	XTBSQJPGMSNVKF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031544
NNC(c1cc2c(s1)CCCCC2)CCC(F)(F)F	PC-id_105313809	292.364	MQZDRPOYJMKMEP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031545
C1C(COc2cscc2O1)CCCCS(=O)(=O)O	PC-id_87401915,SCHEMBL2531542	292.372	FOPUBSBJBFAKAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031546
Fc1ccc(cn1)CSCc1noc2c1CCCCC2	PC-id_145909570,EMOLS-id_320377511,MCULE-2436919032	292.372	JOKQJBGIBKVPHE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-031547
CC1CC(CC(O1)C)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_102664425	292.373	MDPHAGSDCYPVIX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031548
CC1CC(C(O1)C)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_101676758	292.373	PNCOZHPZPIJOOW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031549
CC1CN(CC(O1)(C)C)C(=O)c1noc2c1CCCCC2	EMOLS-id_102489810	292.373	IIUQWSDJBCBEGJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031550
CC1OC(C(C1)CNC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_101707115	292.373	RYWOWPPPBVPMHU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-031551
CC1OC(C)CC(C1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_102381577	292.373	WMNVYHSYHSLZIH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031552
CC(C1CCCCO1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100136164	292.373	JKACTXIGJBDPNM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031553
CC(C1CCCOC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101003386	292.373	JSNKUTOUDUTJTQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031554
CC(C1CCCOC1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_99674876	292.373	GISUWKDLVOJYPO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031555
CCC1(CCOCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101005933	292.373	BGYMTNYFVWVABM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031556
CCC1(C)COCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_102259093	292.373	HBAPLYFPRYGVEP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031557
CCC1COC(CN1C(=O)c1noc2c1CCCCC2)C	EMOLS-id_102677158	292.373	ADTVOBUWAREKNA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031558
CCC1(C)OCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102630983	292.373	FTJLREIKJWOVOK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031559
CCC1OCCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102499821	292.373	XOEQGQWYCCLROS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031560
CCC1OC(C)CN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102592311	292.373	BLBKXOPJVAULBI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031561
CC(C1OCCN(C1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_102487274	292.373	QBCAJFWUVJALHE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031562
CCC1(O)CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102774738	292.373	NRZOOYSDEWDPDG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031563
CCC(C1CCCO1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100136569	292.373	NYFDOWLRSJPGON-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031564
CC(CC1(O)CCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_319801842	292.373	XZHCERVIGLUMAM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-031565
CCCC(N1CCCn2c(C1=O)ccc2C(=O)O)CCC	PC-id_68482969,SCHEMBL3021556	292.373	WBJSTQFXWZYMBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031566
C[C@H]1COC(CN1C(=O)c1noc2c1CCCCC2)(C)C	EMOLS-id_102679373	292.373	ZGZIXZRLWBITGH-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-031567
CCO[C@@H]1CCC[C@H]1NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_101566260	292.373	KXUSPAJYNMBPPP-UKRRQHHQSA-N	00000010100000000100000000000010000000000000000000000000	31-01-031568
CC(O[C@@H]1C[C@@H](C1)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_101524083	292.373	BLATXLOIYNHRSG-TXEJJXNPSA-N	00001000100000000101000000000010000000000000000000000000	31-01-031569
CC(O[C@@H]1C[C@@H](C1)NC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_101634727	292.373	XTQGVSLSHDJGKB-OKILXGFUSA-N	00001000100000000100000000000010000000000000000000000000	31-01-031570
CNC1C(=O)N(CCc2c1occ2)CC1CCCCCO1	PC-id_23554572,SCHEMBL14171344	292.373	SWWCJYSESFEVEO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-031571
CN([C@@H]1CCC[C@H]1O)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_319028994	292.373	WILRZJSYWFLGHW-ZIAGYGMSSA-N	00000010100000000100000000000010000000000000000000000000	31-01-031572
CN(C(=O)c1noc2c1CCCCC2)CC1CCCOC1	EMOLS-id_100124553	292.373	MXZMYZASKSOHKT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031573
CN(C(=O)c1noc2c1CCCCC2)CC1CCOCC1	EMOLS-id_100164973	292.373	JXBFNQXKDPFPRD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031574
COC1CC(C1(C)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100103628	292.373	JSFBNLQQQNNYCE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-031575
COC1CC(C1(C)C)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_99686858	292.373	WFMAJEQKHVOHLC-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-031576
COC1(CCC1)C(NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_101684132	292.373	YFJCGTPJPUPYBR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-031577
o1c(CCCCCCCC)cc2c(C(C)C)cccc(=O)c12	PC-id_10881130	300.435	JWTZYFIKDZODID-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-036424
COC1(CCC1)C(NC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_101702999	292.373	PZONRGJVCOXQSR-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-031578
COC1CCCC1CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100172141	292.373	KVSIIFKGPIRXLT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031579
COC1CCC(CC1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_101631133	292.373	IVXQYVCYQDFIIN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-031580
COC1(C)CCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102502111	292.373	UJKNCDRYHOQXFP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031581
COC1(C)CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102485357	292.373	PKLYRYGLFOMSJL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031582
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COC1(CCCC1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319712718	292.377	SGYLRBQGRMVKSH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031676
COC(C1CC1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101708543	292.377	XMVTUTOPQBNLME-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-031677
COCC1(CCCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319406860	292.377	MYKSSCWTFQUNTL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031678
COCC1CCCCN1C(=O)C1CCn2c(CC1)nnc2	MCULE-9028728347,EMOLS-id_319897671	292.377	UVAXTGGHFPOBEU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031679
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COCc1nnc2CC(C)N(CC3=CCCOC3)CCn12	EMOLS-id_313826344	292.377	TZUDDKOHRJIXAA-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-031681
COCc1nnc2n1CCN(CC1=CCCOC1)[C@H](C)C2	ZINC22_585098478	292.377	TZUDDKOHRJIXAA-GFCCVEGCSA-N	00000000100011000101000000000010000000000000000000000000	31-01-031682
COCc1nnc2n1CCN(CC1=CCCOC1)[C@@H](C)C2	ZINC22_585098481	292.377	TZUDDKOHRJIXAA-LBPRGKRZSA-N	00000000100011000101000000000010000000000000000000000000	31-01-031683
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CCc1ccc(cc1)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3456382	292.378	QQPHKKUXEWPWQJ-VBKFSLOCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031723
CCc1ccc(cc1)C=C(c1nnc2n1CCCCC2)C#N	MCULE-1343820292,PC-id_71903541,EMOLS-id_300760374	292.378	QQPHKKUXEWPWQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031724
CCc1ccc(cc1)/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_25574617,CoCoCo_3456381	292.378	QQPHKKUXEWPWQJ-FOWTUZBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031725
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CCC1(CCCC1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161392	292.38	QDZXNFZBOWPQRN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031749
n12CCCCCc1nnc2/C(=C/c1c(ccc(c1)C)C)/C#N	CoCoCo_3456408,PC-id_8275311	292.378	MMMMTJJNYNLUQL-LFIBNONCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031727
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N#C/C(=Cc1ccc(c(c1)C)C)/c1nnc2n1CCCCC2	PC-id_93977490	292.378	MDSVSQQLJPHMJN-LFIBNONCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031733
N#C/C(=C/c1cc(C)ccc1C)/c1nnc2n1CCCCC2	CoCoCo_3456409	292.378	MMMMTJJNYNLUQL-WJDWOHSUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031734
N#C/C(=Cc1cc(C)cc(c1)C)/c1nnc2n1CCCCC2	PC-id_97555637	292.378	ZJIPPYCOMGQPHU-LFIBNONCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-031735
c1(C(C(C)C)NC(=O)C2(N)CC2)nnc2CCNCCn12	MCULE-6613861086,EMOLS-id_36458183,PC-id_56718873	292.38	UXTJNFBJQVUDLK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-031736
CC1CCCC(C1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102170129	292.38	RFOTXDBCIPBFAJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031737
CC1CCCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102167188	292.38	LHJYEWLUCOWTGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031738
CC1CC(C)CN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183069	292.38	QKQXNIIEOAWFOJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031739
CC1CCCN(C1C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163477	292.38	XPCIVFOOUAAYPI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031740
CC1CCC(N(C1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102164947	292.38	ZOPKFHWKDFWHBS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031741
CC1CCCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102159016	292.38	QOTIWOFKJUFBJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-031742
CC1CCN(CC1)CC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182481	292.38	BATHLOOICFBGQC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031743
CC1CN(C(C1)(C)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164977	292.38	OKXIBZCQORJPRU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031744
CC1CN(CCC1C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166990	292.38	NZWOZHLRQIBRFN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031745
CC1OCCN(C1)C(=NCc1nnc2n1CCCCC2)N	PC-id_120661096	292.38	XFYDWIXDQJQUPL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031746
CCC1(CCC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165067	292.38	LCDFPHXSCIQFBU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-031747
CCC1CCCC1NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158629	292.38	GNQUQPVJOOSYBE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031748
CCC1C(C)CCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102167194	292.38	BWXSPWFLSGPRNV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031750
CCC1CCCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183054	292.38	KTIGDJTYVCJLEM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031751
CC(C1CCCN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102158992	292.38	WXDWDEMHMLFASJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031752
CCC1CCC(N1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102167017	292.38	MUSZVIFNNGAEQT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-031753
CCC1(CC)CN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161308	292.38	PPMJENWXQBUJEW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-031754
CCC1CCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183366	292.38	ZTIRBKDFMNPEDB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031755
CCC1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158917	292.38	YLEUJBRFRWIXAR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-031756
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s1c2c(CCCCC2)cc1C(=O)N1CC(N)C(CC1)C	PC-id_64014018	292.44	ORLWRROIWBWDGK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032052
s1c2c(CCCCC2)cc1C(=O)NC1CCCCNC1	PC-id_64006234	292.44	WKKWVVCXKPOJTD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032053
s1c2c(CCCCC2)cc1C(=O)N(C1CCCNC1)C	PC-id_63643175	292.44	UQHKDHPWKTUSCW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032054
s1c2c(CCCCC2)cc1C(=O)N(C1CCNC1)CC	PC-id_63299559	292.44	UZIBMPOHNMGYSB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032055
s1c2c(CCCCC2)cc1C(=O)N(C1CNC1)CCC	PC-id_66215258	292.44	FWFGOKQOQOTMQK-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-032056
s1c2c(CCCCC2)cc1C(=O)NC1C(N)CCCC1	PC-id_61037745	292.44	SWYDOSITMNBXEC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032057
s1c2c(CCCCC2)cc1C(=O)NCC1CCN(C1)C	PC-id_56715080	292.44	UFZYQLWOSVSQCD-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032058
s1c2c(CCCCC2)cc1C(=O)NCC1CCNCC1	PC-id_61793474	292.44	YKNJRSIWCZRGOF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032059
s1c2c(CCCCC2)cc1C(=O)NCC1NCCCC1	PC-id_61781522	292.44	FDLHBIJIRPYKHE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032060
s1c2CCCCCc2cc1C(=O)NCCCNC1CC1	PC-id_43596324	292.44	HOAPZTYBUATFDK-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-032061
s1c2c(CCCCC2)c(C(=O)N2CCC(CC2)C)c1N	PC-id_20109793	292.44	HCEGOLHXQKWTEM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032062
s1c2c(CCCCC2)c(C(=O)N2CCCCCC2)c1N	PC-id_20109790	292.44	WNIMQHXPDBAMQV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032063
s1c2c(CCCCC2)c(C(=O)N2CCN(CC2)CC)c1	PC-id_6622967	292.44	XBCPKPXAKSZLIC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032064
s1c2CCCCCCc2cc1C(=O)NN1CCCCC1	PC-id_9271626	292.44	YFHSCSSGGVXAFU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032065
s1c2c(CCCCCC2)c(C(=O)N2CCCCC2)c1N	PC-id_43367363	292.44	BBSNBVUMBFZZKU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032066
s1c(C(=O)N2C(CC(N)CC2)C)cc2CCCCCc12	PC-id_81706247	292.44	BBVZVRAFVKDKLY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032067
CCn1nc(c2c1C(=S)NCC(=N2)C(C)(C)C)C(C)C	SCHEMBL5416791,PC-id_22281607	292.443	NOIXQEHQRWWQGO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-032068
N#CC(CCCCSc1nnc2n1CCCCC2)(C)C	PC-id_106712583	292.443	WGUJXSOWOLDKDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032069
CCCNC1CCCCc2c1cn(c2)CCC(OC)(C)C	PC-id_103035011	292.459	LPCJOFMWYZUGFP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032070
CCCNC1CCCCc2c1cn(c2)CCOCC(C)C	PC-id_106455370	292.459	RMLLPEOQCCCWMP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032071
CCCNC1CCCCc2c1cn(c2)CCOC(C)(C)C	PC-id_115943235	292.459	BSPVUHJKWFAFNF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032072
COCc1c2CCCCCc2nn1C(CC(C)(C)C)(C)C	PC-id_139502782,SCHEMBL21372335	292.459	BWPCKBSVEINIJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032073
o1nc(c2CCCCCCCCCCc12)CNCC(C)C	PC-id_80461571	292.459	HVHSXFDMQIGSOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032074
o1nc(c2CCCCCCCCCCc12)CNC(C)(C)C	PC-id_80461681	292.459	QSXOQXGXAQIYKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032075
OC(c1cc2c(s1)CCCCC2)CCc1cccs1	PC-id_115800420	292.459	ULUVRZMWMWLSMD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032076
OC(c1cc2c(s1)CCCCC2)CCc1cscc1	PC-id_115798390	292.459	GUJOEEDAAVBTEJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032077
OCCCCCCn1cc2c(c1)CCCCC2NCCC	PC-id_107705913	292.459	HKYLOOCIHLMUNK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032078
O(CCn1cc2C(NCC)CCCCc2c1)CCC(C)C	PC-id_83211940	292.459	QCTQSADKXQRAMM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032079
O(CCn1cc2C(NCCC)CCCCc2c1)CCCC	PC-id_83209679	292.459	OKDMNKLBJDWIIT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032080
s1c2c(CCCCC2)cc1C(O)c1c(sc(c1)C)C	PC-id_61087602	292.459	WIXNVRPPEFFJQN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032081
s1c2c(CCCCC2)cc1C(O)c1sc(cc1)CC	PC-id_61099143	292.459	YZURRFVMTAPBIQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032082
s1c2c(CCCCC2)cc1C(O)c1sc(cc1C)C	PC-id_81158531	292.459	FLCRZOPWXWLTIC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032083
c12SC(CC)C(=O)C(CC)Sc1sc(=O)s2	MCULE-4233710866,PC-id_4379582,TIMTEC455034	292.461	SPHDOJRSXSOHOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032084
CC[C@H]1Sc2sc(=O)sc2S[C@H](CC)C1=O	PC-id_40538031,ZINC22_5468171	292.461	SPHDOJRSXSOHOU-PHDIDXHHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032085
CC[C@@H]1Sc2sc(=O)sc2S[C@H](CC)C1=O	ZINC22_16636748,PC-id_27254496	292.461	SPHDOJRSXSOHOU-OLQVQODUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032086
CC[C@@H]1Sc2sc(=O)sc2S[C@@H](CC)C1=O	ZINC22_5469002,PC-id_40538188	292.461	SPHDOJRSXSOHOU-WDSKDSINSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032087
Cc1csc(n1)CC(c1cc2c(s1)CCCCC2)N	PC-id_105019485	292.463	VFDLLAAIYKVTIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032088
Cc1scc(n1)CC(c1cc2c(s1)CCCCC2)N	PC-id_104997238	292.463	RNSFMLOZPUVULE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032089
CNC(c1cc2c(s1)CCCCC2)Cc1cncs1	PC-id_105030632	292.463	IPWKLFVZMWIAGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032090
CNC(c1cc2c(s1)CCCCC2)Cc1nccs1	PC-id_105015198	292.463	POEZKDULUHYCCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032091
n12CCCCCc1nnc2C(NCCCCCCCC)C	PC-id_43746919	292.463	NLADXMBEGZIHID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032092
n12CCCCCc1nnc2C(NC(CCCCCC)C)C	PC-id_43746943	292.463	IJNKHPCKYWZOSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032093
N(C(CC(CC)C)CC)C(c1n2CCCCCc2nn1)C	PC-id_43746945	292.463	SOEPVCSVDRVSKQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032094
NNC(c1cc2c(s1)CCCCC2)Cc1cccs1	PC-id_113700480	292.463	RVLCZDAJADYMFN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032095
NNC(c1cc2c(s1)CCCCC2)Cc1cscc1	PC-id_105297660	292.463	ZZCBIJOFKGZEOD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032096
NNC(c1ccc(s1)C)c1cc2c(s1)CCCCC2	PC-id_105318633	292.463	VXNZGKGYESXFRB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032097
NNC(c1ccsc1C)c1cc2c(s1)CCCCC2	PC-id_113743860	292.463	SOFLUSWDGFABLO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032098
NNC(c1csc(c1)C)c1cc2c(s1)CCCCC2	PC-id_113702400	292.463	BKSMTXWHHBDLBD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032099
NNC(c1sccc1C)c1cc2c(s1)CCCCC2	PC-id_113703200	292.463	CWJSTMOVJKHOLZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032100
CC1CCC(CC1C)C(c1cc2c(s1)CCCCC2)O	PC-id_115806180	292.479	BXVSMVHMAPYWDR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032101
CC1CC(C)CC(C1)C(c1cc2c(s1)CCCCC2)O	PC-id_115805868	292.479	ZGQIUFYHMPQSSV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032102
CCC1CCCCC1C(c1cc2c(s1)CCCCC2)O	PC-id_115801807	292.479	HKMCHTJUHWBFHQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032103
CCC1CCC(CC1)C(c1cc2c(s1)CCCCC2)O	PC-id_115807368	292.479	ZSTDDZUQSFHCIP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032104
CCC1CCCC(C1)C(c1cc2c(s1)CCCCC2)O	PC-id_115808570	292.479	QEOOZTVISKXUCP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032105
CCCCCCCCC(=O)c1cc2c(s1)CCCCC2	PC-id_114966877	292.479	ZHJITGSSDRUICY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032106
CCCCC(CC(=O)c1cc2c(s1)CCCCC2)CC	PC-id_114963715	292.479	VVJVOXGYUWAWNK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032107
s1c2CCCCCCCCCCCCCC(=O)c1cc2	PC-id_12626372	292.479	SPHZFJQQTBHJLV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032108
C1CCN(CC1)CCNCc1cc2c(s1)CCCCC2	PC-id_104385233	292.483	GDWOMUJCMJLJAO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032109
C=CCCCCCC(c1cc2c(s1)CCCCC2)NN	PC-id_107012807	292.483	HQMJSTZYQPLCCN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032110
C=CCCCCCCCCc1sc2c(n1)CCCCN2	PC-id_15069526,SCHEMBL8317277	292.483	RBXOUXPEXGSVOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032111
CC(CN1CCCC1)NCc1cc2c(s1)CCCCC2	PC-id_104407166	292.483	CYUGVPQPNLIQPE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032112
C(NCc1cc2c(s1)CCCCC2)CCN1CCCC1	PC-id_104433574	292.483	HYWDKZITCKMFHY-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032113
NNC(c1cc2c(s1)CCCCC2)C1CCC(CC1)C	PC-id_105311749	292.483	VIMGDMBOZSDCMK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032114
NNC(c1cc2c(s1)CCCCC2)C1CCCC(C1)C	PC-id_105313469	292.483	QCNDZNRZKJERPT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032115
NNC(c1cc2c(s1)CCCCC2)C1CCCCCC1	PC-id_113704134	292.483	JFZAKJPQQLCYNF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032116
NNC(c1cc2c(s1)CCCCC2)CC1CCCCC1	PC-id_105296088	292.483	PINFJIDYAFNQJE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032117
s1c(nc2c1CCCCCCCCCC2)C(N)C1CC1	PC-id_63526066	292.483	WYMJVKURJKUPID-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-032118
s1c(nc2CCCCCCCCCCc12)CNC1CC1	PC-id_63519086	292.483	FRJFRVRHSQINSM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-032119
s1c2SSSSSc2sc1=S	CT-id_2001128,PC-id_85590248	292.552	YPPCDUINBAJRID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032120
COC(=O)CCC(=O)Oc1ccc2-c1ccc(cc2)Cl	PC-id_145990534	292.714	VXFRZMNFZZMWQE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032121
O=C(c1ccc(c(c1)O)Cl)N1CCCn2c(C1)cnn2	EMOLS-id_318897533	292.721	YAQKUCJUDASCEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032122
C1CN(Cc2cnnn2C1)C(=O)Nc1cc(cnc1)Cl	MCULE-2273055363,PC-id_136563562,EMOLS-id_316995740	292.724	WVLPLTZMQIGLPY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-032123
Clc1ccc(nc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158362	292.724	RDUOUIUNTNBORD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-032124
Clc1cncc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102175454	292.724	HIHFNHPOHMKEQU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-032125
c12CN(CCCn1nc(CO)c2)Cc1ccncc1Cl	EMOLS-id_55660845,PC-id_91780335,MCULE-4672116033	292.764	IIDNVEBXCZMULV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-032126
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(cn1C)Cl	EMOLS-id_319486196	292.764	YYLBUOLXSUWRGR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-032127
Clc1ccccc1CNCc1nnc2n1CCOCC2	MCULE-1292864232,EMOLS-id_318527328	292.764	SYYUCERJYNXFHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032128
Clc1cccc(c1)CNCc1nnc2n1CCOCC2	MCULE-9259021251,EMOLS-id_318386032	292.764	KCSLMYRNMYWRQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032129
Clc1ccc(cc1)CNCc1nnc2n1CCOCC2	MCULE-9636786551,EMOLS-id_318390692	292.764	IVFRARYLIYZSKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032130
Clc1cc(Nc2n3CCCCCc3nn2)c(OC)cc1	PC-id_20873294,CoCoCo_2150873,CoCoCo_2150874,CoCoCo_2150871,CoCoCo_2150872,CoCoCo_2150875	292.764	OVMMPBLZWBYZPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032131
Clc1ccc(c(c1)Cn1cc2c(c1)CCCCC2N)F	PC-id_103047439	292.779	FYJIJUSCNNROKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032132
Clc1ccc(c(c1)F)Cn1cc2c(c1)CCCCC2N	PC-id_114851669	292.779	JOXAVQSRBRPZPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032133
Clc1c(Cn2cc3C(N)CCCCc3c2)ccc(F)c1	PC-id_83208206	292.779	BWHJWQSGKOGUCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032134
Clc1c(Cn2cc3C(N)CCCCc3c2)c(F)ccc1	PC-id_83209159	292.779	LFAGPMPHJHOMQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032135
Fc1ccc(c(c1)Cn1cc2c(c1)CCCCC2N)Cl	PC-id_102617122	292.779	VWHICMCFVVUFRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032136
NC1CCCCc2c1cn(c2)Cc1ccc(c(c1)Cl)F	PC-id_103038842	292.779	KLZGEKLSPVKLLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032137
NC1CCCCc2c1cn(c2)Cc1cccc(c1Cl)F	PC-id_115983339	292.779	RWFPDFDGHLMQMP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032138
NC1CCCCc2c1cn(c2)Cc1cccc(c1F)Cl	PC-id_102856778	292.779	KNTGBENESUXEJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032139
NC1CCCCc2c1cn(c2)Cc1ccc(c(c1)F)Cl	PC-id_107883369	292.779	PQONPONFWVGFDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032140
ClCS(=O)(=O)NC(c1n2CCCCCc2nn1)C	PC-id_63663733,EMOLS-id_314281738	292.786	BCMOXFRJJSUBQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032141
Clc1c(n(nc1C)C)Cn1cc2C(N)CCCCc2c1	PC-id_83207944	292.807	QXPIGWCPWGSENF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032142
Clc1n(c(nc1)Cn1cc2C(NC)CCCCc2c1)C	PC-id_83208569	292.807	GEEYOTDIQIVTTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032143
NC1CCCCc2c1cn(c2)Cc1c(C)nn(c1Cl)C	PC-id_116067572	292.807	WIOZVJODYTXDBC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032144
C12=C(NC(=C1Cl)Cl)SSSSS2	PC-id_154573960	292.809	VRVDVRRXANZPCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032145
Clc1ccccc1C(c1cc2c(s1)CCCCC2)O	PC-id_114980520	292.824	FLCUILYIHJZQTC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032146
Clc1cccc(c1)C(c1cc2c(s1)CCCCC2)O	PC-id_114982445	292.824	VEWFLSWRFKWBJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032147
Clc1ccc(C(O)c2sc3c(CCCCC3)c2)cc1	PC-id_61099175	292.824	MXXRFCSZDZNAEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032148
Clc1ccc(CN2CCc3c(sc(N)c3)CC2)cc1	PC-id_13072068	292.827	QHVBWZBMYGBUJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032149
Clc1c(CN2CCc3c(sc(N)c3)CC2)cccc1	PC-id_20244898	292.827	YGZFUACVCRPODL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032150
CI=1=CC=C2C(=CC1)SNC2=O	PC-id_148043809	292.937	JEZUWTXBAVPQHS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-032151
O=C1NNC(=O)c2c(N1)ncn2I	PC-id_138631773,SCHEMBL20998649	293.022	WKVRQTIRJLAZIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032152
CCCN1B(C)Nc2ccnn2C(SN(B1C)C)(C)C	PC-id_144358535	293.047	JOTZKDJFWRPHBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032153
Clc1c2-c(c(c1)C(=O)C(F)(F)F)cc(Cl)ccc2	PC-id_13465574	293.069	CZKVUXKUMBUIJI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032154
Clc1c(c2-c(c1)ccc(Cl)cc2)C(=O)C(F)(F)F	PC-id_13465573	293.069	BPVVOYZLSFWSOF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032155
C1CN(CCC2=C1N=C(S2)N)CC3=CC(=CC=C3)Cl	PC-id_160618302	293.075	JPNLQENEBUSSIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032156
C1CCC2=NN=C(N2CC1)CS(=O)(=O)C3=NC=CN=C3	PC-id_154796049	293.095	CYGWIPWFNXRYJX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-032157
CC(=O)NC1=NC=C(S1)CN2CCC3=NN=NN3CC2	PC-id_154685585	293.106	KFHQWJGVIWFGQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032158
CNC1c2c(CCN(C1=O)CC1CC=CCS1)nco2	PC-id_164053574	293.12	WAQVRCBVBXGXMO-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-032159
IC1CCc2sccc2NC1=O	SCHEMBL8623479,PC-id_19067029	293.125	KSZAJFHLYWZIDH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032160
C1CCCN2C(=NN=C2C(OC3=CC=CC=C3)(F)F)CC1	MCULE-8199906814,PC-id_154782473,EMOLS-id_317727154,ZINC22_630951046	293.134	HHYLMWVYEPWUDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032161
BrCCc1c2-c(c(c1)C(=O)OC)ccccc2	PC-id_85570922	293.156	ANHOILFNNCZTNK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032162
CCC(CC)(C(=O)N1CCCC2=C(C1)C=NN2C)C(=O)O	MCULE-1276661893,PC-id_154763765,EMOLS-id_317275378	293.174	TYWGCVCJFDLRNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032163
COC[C@H]1COCCN1C(=O)C2=CN=C3N2CCCCC3	PC-id_164642335	293.174	SXOSOPYICRHGQW-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032164
C1CCN2C=C(CCC(=O)NCCC(C1)C(=O)CN)N=N2	PC-id_161582066	293.185	WRAIFBMLZZSQBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032165
OCC(C(F)(F)F)NC(=O)C1CCn2c(CC1)nnn2	EMOLS-id_319620849	293.246	IMBUMEXCKBKPCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032166
OC(=O)c1cc2CN(CCCc2s1)C(=O)C(F)(F)F	EMOLS-id_331225914	293.262	OQBGKZRPWFVQEP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032167
Clc1c2-c(c(Cl)c1C#C[Si](C)(C)C)ccccc2	PC-id_12039475	293.263	HHFJCBWWDXRVHX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032168
O=C(c1ccc(c(c1F)F)O)N1CCCc2c(C1)cco2	EMOLS-id_318847644	293.265	UWLTVBBYPFUAQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032169
O=C(c1ccc(c(c1F)O)F)N1CCCc2c(C1)cco2	EMOLS-id_319663879	293.265	JPFSOSHNRNQVCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032170
c12C(=O)NCCCc1nc(NC(=O)CC(F)(F)F)s2	MCULE-9928647357,EMOLS-id_48619068,ZINC22_96124411,PC-id_72720020	293.266	GSGWRTIHKMJKLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032171
O=C(c1ccc(c(c1F)F)O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318999798	293.269	PHBAROAQYSKBSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032172
O=C(c1ccc(c(c1F)O)F)N1CCCc2c(C1)c[nH]n2	MCULE-3979063169,EMOLS-id_320242213	293.269	CNNXXBMWBISKGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032173
Fc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102168217	293.272	OUYVNWPWDGIQDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032174
Fc1ccc(c(c1)F)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102170030	293.272	ACYSUEDTCODZOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032175
Fc1cc(F)cc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102169958	293.272	KLHQWOJGPFTWQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032176
O=C(c1cccc(c1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102162595	293.272	QRIJSFJMNYUQIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032177
CCOC(=O)c1cc(c2-c1ccc(cc2)OC)C(=O)OCC	PC-id_101063451	302.322	GNXTUSKZTBJGTN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037228
O=C(c1ccc(c(c1)F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102168214	293.272	DOFSVSXTLKXAFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032178
O1c2c(OC1)ccc(c2)C=Cc1noc2c1ccccc2=O	PC-id_86180289	293.274	OKECNALYYJFTDO-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-032179
O=c1[nH]c2-c(c1/N=C/c1ccccc1[N+](=O)[O-])ccccc2	PC-id_59563900,SCHEMBL13042336	293.277	JLXYWKSGIQCCCH-LICLKQGHSA-N	00000010100000110110000000000010000000000000000000000000	31-01-032180
o1nc2n(C(CCCC2)Cc2[nH]c(c(n2)N)C(=O)O)c1=O	PC-id_23500535,SCHEMBL6797959	293.279	RWQAQBLRNRJWKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032181
[O-][N+](=O)c1ccc2-c(nc(n2)/C=N/c2c(N)cccc2)cc1	PC-id_85849314	293.28	PKJGYRRBIXEHNB-RQZCQDPDSA-N	00000010100000110111000000000010000000000000000000000000	31-01-032182
[O-][N+](=O)c1ccc2-c(nc(n2)N=Cc2c(N)cccc2)cc1	PC-id_85849311	293.28	GYBZKGPDLXPDPV-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-032183
COC(=O)C(=C1C=Cc2c(C=C1)sc(=O)[nH]2)C(=O)OC	PC-id_101443248	293.295	QKRWMQHZSXDVQX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-032184
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1c[nH]c(=O)[nH]1	PC-id_90625481	293.302	RPXWFIYEEBRXCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032185
CCOC(=O)N1CCc2c(CC1)cc(s2)C(F)(F)F	PC-id_68475847,SCHEMBL3007853	293.305	ILZNHKUBNJWMLV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032186
OC(=O)CC(C(F)(F)F)c1cc2c(s1)CCNCC2	PC-id_66934186,SCHEMBL1181574	293.305	LEGKZOXVUFEMOR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032187
OC(=O)C[C@H](C(F)(F)F)c1cc2c(s1)CCNCC2	PC-id_66934187,SCHEMBL1181576	293.305	LEGKZOXVUFEMOR-QMMMGPOBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032188
OC(=O)C[C@@H](C(F)(F)F)c1cc2c(s1)CCNCC2	SCHEMBL1181577,PC-id_66934188	293.305	LEGKZOXVUFEMOR-MRVPVSSYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032189
s1c2CCCCCc2cc1C(=O)NOCC(F)(F)F	PC-id_81342820	293.305	VMGKELWSSIEVBM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032190
Fc1ccc(c(c1)F)C(CN1CCCc2c(C1)cco2)O	EMOLS-id_318409726	293.308	COCPPUCPDMFTBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032191
OC(c1ccc(c(c1)F)F)CN1CCCc2c(C1)cco2	EMOLS-id_318711293	293.308	YQOGUAOGMWQRDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032192
OC(c1c(F)cccc1F)CN1CCCc2c(C1)cco2	EMOLS-id_318574575	293.308	IYZHQSWZLWPLNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032193
O=C(Nc1nc2c(s1)CCCCC2)NCC(F)(F)F	EMOLS-id_110516060	293.309	CBQPHOOMDLLZIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032194
Cc1cc(F)c(c(c1)F)CNC1CCn2c(CC1)nnn2	MCULE-6329321386,EMOLS-id_318194969	293.315	VEQMYVYGRAWVGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032195
FC(c1ccc(cc1)CNC1CCn2c(CC1)nnn2)F	MCULE-8681175496,EMOLS-id_318314426	293.315	ZZXAGCOXQZHDEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032196
FC(c1nccc(c1)NCc1nnc2n1CCCCC2)F	EMOLS-id_318822665,MCULE-5037233740	293.315	NHLDMPHZPBTRTA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-032197
OC(=O)c1cn(c2c1C(=O)CCCC2)C(=O)OC(C)(C)C	PC-id_141050487	293.315	IIDQUMCUHMBVNJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032198
CCOc1ccc(cc1)C=Cc1noc2c1ccccc2=O	PC-id_110209168	293.317	NELDXMJAQPDTAH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-032199
CCOc1ccc(cc1)/C=C/c1noc2c1ccccc2=O	TIMTEC56535,PC-id_56693523	293.317	NELDXMJAQPDTAH-FMIVXFBMSA-N	00000000100000110111000000000010000000000000000000000000	31-01-032200
c1(C(=O)O)cc2n(CCCN(C(=O)C3CCCCO3)C2)n1	PC-id_50965164,EMOLS-id_32400378,MCULE-5576692322	293.318	INZMKADVWWAREG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032201
C/C=C
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NC(=O)C1OCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111416779	293.318	WTBPYVGVEAIPGI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032203
O=C(O)c1cc2n(n1)CCCN(C(=O)[C@@H]1CCCCO1)C2	PC-id_95128509,ZINC22_65406735	293.318	INZMKADVWWAREG-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032204
O=C(O)c1cc2n(n1)CCCN(C(=O)[C@H]1CCCCO1)C2	ZINC22_65406736,PC-id_95128510	293.318	INZMKADVWWAREG-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032205
OC(=O)C1(CCCO1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319259529	293.318	DVHFIADZIHVPTD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032206
c1ccc(cc1)C(CO)NC(=O)c1nnc2-c1ccccc2	PC-id_91163715	293.32	CRMRSWBFKRXQHH-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-032207
CCOC(=O)c1c(Nc2ccccn2)nc2-c1ccccc2	PC-id_101439649	293.32	AYQOKTRAIPTOJF-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-032208
CCOC(=O)c1c(Nc2ccncc2)nc2-c1ccccc2	PC-id_101218924	293.32	ZTQXQICSEZPSDX-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-032209
c12CN(CCCn1nc(CO)c2)Cc1onc(COC)n1	EMOLS-id_55635434,PC-id_91771544,MCULE-7883803581	293.322	SDVWLUPUNZFYCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032210
Cc1c(c(ncn1)N)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478321	293.323	VKWUGKAWOQXVQW-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-032211
Cc1ncnc(c1/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)N	SCHEMBL13077170	293.323	VKWUGKAWOQXVQW-AWQFTUOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-032212
c12CN(CCCn1nc(C#N)c2)Cc1ccn2c(ncn2)c1	MCULE-1717930324,ZINC22_2356150914,EMOLS-id_337823288	293.327	GJUGRLASBTZFLX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-032213
COc1nscc1NC(=O)c1noc2c1CCCCC2	EMOLS-id_319813167	293.341	SMKHTFVGPGLMDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032214
O=c1nc2-c(n1CC1CN(C1)S(=O)(=O)C)ccccc2	EMOLS-id_318953289	293.341	SFKYIQISESXALG-UHFFFAOYSA-N	00001010100000000111000000000010000000000000000000000000	31-01-032215
s1c(c(Cn2nc3n(CCCCC3)c2=O)cc1)C(=O)O	PC-id_63640731	293.341	JRYXOXOASWKOHA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-032216
s1c(Cn2nc3n(CCCCC3)c2=O)ccc1C(=O)O	PC-id_63377831	293.341	XZKWXERBAAKDRR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-032217
S(c1n2CCCCCc2nn1)Cc1c(occ1)C(=O)O	PC-id_43244428	293.341	ISZSMRKZKZLEGV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-032218
S(c1n2CCCCCc2nn1)Cc1oc(cc1)C(=O)O	PC-id_16795757	293.341	BAJZQWGGBINYKX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-032219
S(c1n2CCCCCc2nn1)Cc1occc1C(=O)O	PC-id_43416923	293.341	NDNKTIQVGNDGIC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-032220
S(c1n2CCCCCc2nn1)Cc1occ(c1)C(=O)O	PC-id_62269382	293.341	WDWPMCLCVAFXQF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-032221
COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)on1	MCULE-5656367469,ZINC22_183497300,EMOLS-id_313168669	293.342	RNCATPBBYZRWSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032222
COc1cnc(s1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_99369184	293.342	JJXJBWWDBIWHAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032223
COc1noc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319024621	293.342	BZXKKUUAULSJEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032224
COc1nscc1NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_319457659	293.342	HZQUFSMTCFATQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032225
O=C1CN(NC(=O)c2cc3c(s2)CCCCC3)C(=O)N1	ZINC22_29018806,PC-id_36192810,EMOLS-id_33337551,GD-id_ZINC29018806,MCULE-9221371326	293.342	NJZSWNPUOZVAAI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032226
c1(sc(C)nc1C)C(=O)N1CCn2c(n[nH]c2=O)CC1	MCULE-6664257483,EMOLS-id_50586455,PC-id_91922355	293.345	SDWHTDBAZBOKFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032227
Cc1ccc(cn1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319488942	293.345	JLFIACKSBKXBDM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-032228
Cc1nccc(c1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_318855225	293.345	UUAQYGIXKXXKFK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-032229
COc1nn(c2c1CCCN(C2)C(=O)c1csnn1)C	PC-id_97404582	293.345	CDXAXYBVXQHVPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032230
COc1nn(C)c2c1CCN(C(=O)c1csnn1)CC2	ZINC22_1565553854,EMOLS-id_313850414	293.345	FEZXUPAFQPFIQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032231
O=c1scc([nH]1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_100029591	293.345	HRJLMACVJJEKPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032232
O=S(=O)(c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102026473	293.345	MJXYDBLAGUGVCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032233
O=C(Nc1csnc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_320018006,MCULE-3592586825	293.348	KIGPPWMUUOLCLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032234
O=C(Nc1ncc(s1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102027427	293.348	XBOIPFNAUNUMEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032235
O=C(Nc1scc(n1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102025525	293.348	QJZNOIADHGEIQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032236
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OC1CCCCCCCc2c1c(O)n(c2O)C(=O)C(=C)C	PC-id_53696608	293.358	BQZJVAIKLJQZMR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032240
O(C(=O)c1c2CCCCCCc2[nH]c1C(=O)OCC)CC	PC-id_59052478	293.358	VFLPZZSUQIISLA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032241
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OCc1cc(cc(c1)F)Sc1nnc2n1CCCCC2	PC-id_106533843	293.36	ZVWYBOOJUNFQBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032244
OCc1cccc(c1Sc1nnc2n1CCCCC2)F	PC-id_108342126	293.36	AYCRUZPCDLDPPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032245
OCc1c(F)cccc1Sc1nnc2n1CCCCC2	PC-id_108313231	293.36	DZQMLVGDKJHGBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032246
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S(c1n2CCCCCc2nn1)c1c(F)cc(cc1)CO	PC-id_63814455	293.36	VCBBDVXHWCQNJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032248
c1(C(=O)N(C)CCC(=O)OCC)c2CCCCCc2[nH]n1	EMOLS-id_334745570,MCULE-1762460744	293.361	ULKOYCKAZCXQQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032249
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S(c1n2CCCCCc2nn1)c1n(nc(c1CO)C)C	PC-id_63814454	293.388	KNMXOUKPQIBVPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032438
S(c1n2CCCCCc2nn1)CC(=O)N(CCC#N)C	PC-id_7876902	293.388	IXKPISSRINLMOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032439
OC1c2c(CCCC1)cn(c2)CCCCCC(=O)OCC	PC-id_83209636	293.401	MGKUQFXEHXAPJY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032440
Cc1ccc(o1)CCCNC(c1ccc2-c1ccccc2)C	SCHEMBL3861293,PC-id_68817710	293.403	HRWAFGXDTIWSMD-UHFFFAOYSA-N	00000010101000000110000000000010000000000000000000000000	31-01-032441
CC(C(C1=CCCC=C1)C)OC1=Cc2cc[nH]c2C=CC=C1	SCHEMBL18722295	293.403	BVMLOAXNEUWXOL-UHFFFAOYSA-N	00000000100011000110000000000010000000000000000000000000	31-01-032442
O=C(c1ccccc1)C[S+](c1cc2-c(c1)ccccc2)C	PC-id_139727712	293.403	KKKRYTLABOIFHB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-032443
c1(CN(C)CC2COCCOC2)c2CCCCCc2[nH]n1	PC-id_145937445,EMOLS-id_323992940,ZINC22_1857693949,MCULE-4607484855	293.404	UFICBSMVRLBBJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032444
c1(CN(C)CCC2COCCO2)c2CCCCCc2[nH]n1	PC-id_138809341,MCULE-8876867911,EMOLS-id_317861867	293.404	KDFPSDKLWXTPAL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032445
CCCCc1n[nH]c2c1CCN(CC2)C(=O)OC(C)(C)C	PC-id_134950589	293.404	ZTWCRRNVELIQSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032446
CCC(C(C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)O)(C)C	EMOLS-id_316422491,MCULE-9018070950	293.404	NZZJNGBRCSKWAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032447
CCCCOCCCNC(=O)c1c2c(CCCCC2)[nH]n1	EMOLS-id_335005291,MCULE-6360368926	293.404	KEVARXRDDPAKLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032448
CC(C)n1ncc2c1C[C@H](NC(=O)OC(C)(C)C)CCC2	ZINC22_575423987	293.404	IWGBAONEZSNHAY-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032449
CC(C)n1ncc2c1C[C@@H](NC(=O)OC(C)(C)C)CCC2	ZINC22_575423990	293.404	IWGBAONEZSNHAY-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032450
CC(C)n1ncc2CCCC(Cc12)NC(=O)OC(C)(C)C	MCULE-6548538628,EMOLS-id_75547822	293.404	IWGBAONEZSNHAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032451
CC(C(=O)COC1CCCCCc2c1nnn2C(C)C)C	PC-id_139308595,SCHEMBL21153467	293.404	BBWJDALQLZFVMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032452
CC(C(=O)COC1CCCCCc2c1n(nn2)C(C)C)C	PC-id_140948314	293.404	GBQMUGZFOGNNEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032453
CCN(CC)CCN1CCCc2c(C1=O)c(c([nH]2)OC)C	PC-id_90452944,SCHEMBL16090258	293.404	WTLZTMDQZNSMHN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032454
CCN(CCCNC(=O)c1noc2c1CCCCC2)CC	CoCoCo_2401376,PC-id_20923840	293.404	JPQJLCVXJSEWES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032455
CCOCC1CN(CC2CCOCC2)Cc2cncn2C1	EMOLS-id_49231335	293.404	CGIZLXXSJIZWNR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032456
CCOC(C(C)C)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318797526	293.404	UGQMDJNFJZDXNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032457
CC(OCCCNC(=O)Cn1cc2c(n1)CCCCC2)C	ChEMBL-DNDi_CHEMBLC881-1052,PC-id_20892466,CoCoCo_2192303	293.404	IGUCXBONIHDZQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032458
CCOC[C@H]1CN(CC2CCOCC2)Cc2cncn2C1	ZINC22_96208216,PC-id_97476343	293.404	CGIZLXXSJIZWNR-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032459
CCOC[C@@H]1CN(CC2CCOCC2)Cc2cncn2C1	ZINC22_96208217,PC-id_97476344	293.404	CGIZLXXSJIZWNR-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032460
Cn1ncc2c1CCCN(C(=O)C[C@@H](O)CC(C)(C)C)C2	ZINC22_333932074	293.404	GMRHLYFVHTUCAK-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032461
Cn1ncc2c1CCCN(C(=O)C[C@H](O)CC(C)(C)C)C2	ZINC22_333932075	293.404	GMRHLYFVHTUCAK-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032462
CN(CC[C@@H]1COCCO1)Cc1n[nH]c2c1CCCCC2	ZINC22_1775981896	293.404	KDFPSDKLWXTPAL-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032463
CN(CC[C@H]1COCCO1)Cc1n[nH]c2c1CCCCC2	ZINC22_1775981898	293.404	KDFPSDKLWXTPAL-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032464
COC(Cn1nc2c(c1)C(=O)NCC(C2)(C)C)CC(C)C	EMOLS-id_316630402	293.404	IKDWMTXTJJKFML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032465
O=C1NCC(Cc2c1cn(n2)CCCOC(C)(C)C)(C)C	EMOLS-id_318126518	293.404	BNSZJUKFZGGANZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032466
OC(CC(C)(C)C)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845207,MCULE-4468412545	293.404	GMRHLYFVHTUCAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032467
O=C(NCCCOC)Cn1cc2C(NC)CCCCc2c1	PC-id_83211751	293.404	YSMIYTNVYUPXJE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032468
O=C(NC(COC)C)Cn1cc2C(NC)CCCCc2c1	PC-id_83209245	293.404	RBIYGVOSGGEOFM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032469
O=C(NCCOC)Cn1cc2C(NCC)CCCCc2c1	PC-id_83211160	293.404	NROOTEWCQMRTMT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032470
OC(=O)c1sccc1CN1CCCc2c(C1)ccs2	MCULE-4389228115,EMOLS-id_318013605	293.404	SBXVSSPCSGWGTJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032471
OC(=O)c1scc(c1)CN1CCCc2c(C1)ccs2	MCULE-9120714040,EMOLS-id_318684135	293.404	MUAACQYILBMQDV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032472
OC(=O)C(N1CCCc2c(C1)ccs2)c1ccsc1	MCULE-9407282718,EMOLS-id_317985882	293.404	PVHBBZQWKHUSRR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-032473
O=S(=O)(c1cc2c(s1)CCNCC2)c1ccccc1	PC-id_24782854,SCHEMBL1181704	293.404	BFUSEPHZJSMUCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032474
S(c1c2-c(cc1)ccccc2)c1sc2c(n1)cccc2	PC-id_12381640	293.406	DFAQSLDQCXUSGV-UHFFFAOYSA-N	00000010100000100111000001000010000000000000000000000000	31-01-032475
c12CN(CCCn1nc(CNC(=O)CCN)c2)CC(C)C	ZINC22_82137766,MCULE-5780429062,EMOLS-id_44445583,PC-id_70767779	293.408	SXOQGONFNBLAMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032476
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)CC(C)C	EMOLS-id_44432087,PC-id_70729324,MCULE-9638803150,ZINC22_82106596	293.408	RUBVWSAVQKBRQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032477
c1(cc2c(CCCCCC2)s1)C(=O)Nc1nncs1	PC-id_17217993,ZINC22_13746577,CoCoCo_1067284,EMOLS-id_13329688,TIMTEC468955,MCULE-1541454926	293.408	TYTLJUOYUQQYEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032478
Cc1ncc(s1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110926631	293.408	WTMOOFDVGZXHQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032479
Cc1nc(=NC(=O)c2cc3c(s2)CCCCC3)s[nH]1	ZINC22_408247966,EMOLS-id_111210699,MCULE-7220373893	293.408	QXBCPXIEFXKLSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032480
Cc1ncsc1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_35717364,ZINC22_43269882,MCULE-1323566104,PC-id_47240056	293.408	QFDBOAYUCUNSHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032481
Cc1sc2c(n1)CCCCN2C(=O)c1csnc1C	EMOLS-id_318839923	293.408	BWPCSQPWAFZVDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032482
Cc1snc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319234202	293.408	PNQHSBNAQUNMEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032483
CCC(c1nnc2n1CCCCC2)NC(=O)NC(C)(C)C	EMOLS-id_111249517	293.408	GHDOFYHMXGIPMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032484
CCC(c1nnc2n1CCCCC2)NC(=O)N(C(C)C)C	EMOLS-id_111360490	293.408	VXLMWYFSNAQRGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032485
CCCCCCNC(=O)NCc1nnc2n1CCCCC2	PC-id_53517710,MCULE-7093805894,EMOLS-id_35699364,ZINC22_45863671	293.408	CLBVMKKIHCSMAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032486
CCCC[C@@H](C(=O)NC(c1nnc2n1CCCCC2)C)N	PC-id_107144204	293.408	NRHQPHNVEZDILN-KIYNQFGBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032487
CCC(CC)NC(=O)NCCc1nnc2n1CCCCC2	ZINC22_45861308,MCULE-8798421037,EMOLS-id_30702467,PC-id_47025492	293.408	GMXSRUBHZPOGQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032488
CCCC(CO)N=C1c2c(ccn2CC(C)C)NCNN1	PC-id_137153825	293.408	ZKFZBNJICQVLKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032489
CCC(C(C(=O)NCCc1nnc2n1CCCCC2)N)C	MCULE-4321672650,PC-id_120257187,EMOLS-id_302144148	293.408	UCXZQOFLEHZJSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032490
CCCC(C(=O)NCCc1nnc2n1CCCCC2)(N)C	PC-id_120257189,MCULE-5943000466,EMOLS-id_302144660	293.408	OTRRHWSPCZTWFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032491
CCCC(C(=O)NCCCc1nnc2n1CCCCC2)N	EMOLS-id_301948799,PC-id_120263790,MCULE-5780867958	293.408	KJVONISPEXBGKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032492
CC(CCC(=O)NCCCc1nnc2n1CCCCC2)N	EMOLS-id_302371450,MCULE-9090449652,PC-id_120565228	293.408	MUWMTRMDVPAQEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032493
CC(C[C@H](C(=O)NC(c1nnc2n1CCCCC2)C)N)C	PC-id_104902898	293.408	YNVFSZWFQUHLOY-PIJUOVFKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032494
CC(C[C@@H](C(=O)NCCc1nnc2n1CCCCC2)N)C	EMOLS-id_302144916,PC-id_119839642,MCULE-7173878472	293.408	MKVBWOXBMSAWRP-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032495
CCC(CN1CCc2n(CC1)c(nn2)CNC(=O)C)CC	CoCoCo_1284557,PC-id_42274663,MCULE-8731252166,CoCoCo_1284558,ChEMBL-DNDi_CHEMBL29691750,EMOLS-id_232728398	293.408	UDBGSLNPCPAFGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032496
CCCCN(CCCC)C(=O)[C@@H]1CCc2nnnn2CC1	ZINC22_328599442	293.408	RYTHVIRWHWWVNP-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032497
CCCCN(CCCC)C(=O)[C@H]1CCc2nnnn2CC1	ZINC22_328599443	293.408	RYTHVIRWHWWVNP-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032498
CCCCN(C(=O)C1CCn2c(CC1)nnn2)CCCC	MCULE-4603925583,EMOLS-id_76050557,PC-id_121582670	293.408	RYTHVIRWHWWVNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032499
CC[C@@H](C(=O)N(Cc1nnc2n1CCCCC2)C)N(C)C	EMOLS-id_320133073,MCULE-6728753735	293.408	LXIRKKSDEAZPLB-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032500
CC(C(=O)NCCCc1nnc2n1CCCCC2)C(N)C	PC-id_120503576,EMOLS-id_302379320,MCULE-2613085034	293.408	FNUMSGXOYTZLFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032501
CC(OC1CC(C1(C)C)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102178865	293.408	VJOWXEKEOBUVPL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-032502
CC(=O)NC(=S)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_3054202,BindingDB-id_81032,ZINC22_5560341,CHEMBL1449208,BindingDB_PC-id_5142145,CoCoCo_3778131,ChEMBL-DNDi_CHEMBL1449208,MCULE-8309327774,PC-id_5142145	293.408	WPGXCVNKRVJMDY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032503
CNC1C(=O)N(CCc2c1scc2)Cc1cscn1	SCHEMBL14172236,PC-id_23554670	293.408	LRJJQWSXXVINTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032504
CNC1C(=O)N(CCc2c1scc2)Cc1nccs1	PC-id_23554662,SCHEMBL14172215	293.408	MGMKESOBAQTZDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032505
CNC1C(=O)N(CCc2c1scc2)Cc1scnc1	PC-id_23554674,SCHEMBL14172224	293.408	SHNYUCOAKYXCTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032506
CNC1C(=O)N(CCc2c1scn2)Cc1cscc1	PC-id_23554525,SCHEMBL14172307	293.408	YHZLNTSEGJTPEC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-032507
CN(CC(C(C)C)NC(=O)C1CCn2c(CC1)nnc2)C	MCULE-9166075770,EMOLS-id_320180293	293.408	ZMOZKDVIUNLUFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032508
CNCCCC(=O)NCCCc1nnc2n1CCCCC2	PC-id_119872039	293.408	DISPUBXTVYIKLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032509
CN(C)CCOCc1nnc2CCN(CC3CC3)CCn12	PC-id_97381529,EMOLS-id_46148041,ZINC22_96058872,CHEMBL3551775	293.408	ZUUAVLVJMBNPRP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-032510
CN(C)CCOCc1nnn2c1CN(CC1CC1)CCC2	PC-id_97381492,ZINC22_96058835,EMOLS-id_46147967	293.408	BHZAFUCUGJJWIY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-032511
CNCC(C(=O)NCCCc1nnc2n1CCCCC2)C	MCULE-6153743971,PC-id_119872065,EMOLS-id_301949809	293.408	TYOWCLJQPZJHIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032512
COC1CC(C1(CC)CC)NC1CCn2c(CC1)nnn2	EMOLS-id_102177347	293.408	SSLFOMNGKOHGIE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-032513
COCCN1CCN(Cc2nnc3n2CCCCC3)CC1	MCULE-2920737339,ZINC22_40489667,EMOLS-id_29695097,CoCoCo_4642493,PC-id_45805776,CoCoCo_4642492	293.408	DBBIBVVUMKLTNN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032514
n12CCCCCc1nc(SCC(=O)c1cccs1)n2	PC-id_4302053,SPECS-id_AT-225/NB58316,MCULE-2517144743,ZINC22_401027	293.408	QFFFXSBJNANMRG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-032515
n12CCCCCc1nnc2SCC(=O)c1cccs1	PC-id_33699122,CoCoCo_5792219,MCULE-4609499309,ZINC22_26441926	293.408	LVGRQKXOZFVUFE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-032516
NCCC1(O)CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_319579569	293.408	PTCAWNFWGMGNKF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032517
NCCCCCCC(=O)NCc1nnc2n1CCCCC2	PC-id_119833802	293.408	IJRCSSICXLZWTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032518
NCCCC(C(=O)NC(c1nnc2n1CCCCC2)C)C	PC-id_104684101	293.408	ULZIEXRILFMOED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032519
N[C@H](C(=O)NCCCc1nnc2n1CCCCC2)C(C)C	MCULE-7388581308,PC-id_120263796,EMOLS-id_302184148	293.408	ZONWKBULNIDNGP-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032520
O=C(c1csnc1C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110971780	293.408	GKVJNEATNRLLGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032521
O=C(c1ncsc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110510892	293.408	ONWATIKFDXQUJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032522
O=C(c1scnc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644815	293.408	RCKBWDMZZBPRHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032523
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O=C(NC(c1n2CCCCCc2nn1)C)CNC(C)(C)C	PC-id_78923443	293.408	ZENZFUUFIHBTOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032556
O=C(NC(c1n2CCCCCc2nn1)C)C(N)(CC)CC	PC-id_79813989	293.408	KROAOCUKGHARME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032557
s1c2CCCCCc2cc1C(=O)Nc1sc(nn1)C	PC-id_18076241	293.408	VFLUYWDCIQAROA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032558
C1CCn2c(CC1)nnc2Sc1snc(n1)C1CC1	EMOLS-id_98661051	293.411	ZAVSPWATURDYPN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-032559
c1(C(=O)NCC2CCCO2)cc2c(CCCCCC2)s1	MCULE-2213907423,EMOLS-id_13331294,TIMTEC446575,PC-id_17191127	293.424	SFWCJFCFGXOKHJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032560
CC1CCN(CC1O)C(=O)c1cc2c(s1)CCCCC2	PC-id_103901097	293.424	XEGKLXOYMXWGMV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032561
CC(C1CCN(C1)C(=O)c1cc2c(s1)CCCCC2)O	PC-id_115966301	293.424	YIWXNAAZPGMJBE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032562
CC(=C)COCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_115699509	293.424	BVLNUSHHADXIQP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032563
C[C@@H]1COCCN1C(=O)c1sc2c(c1)CCCCCC2	GD-id_ZINC46258342	293.424	LQNUUSCRXQHXET-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032564
C[C@H]1OC[C@H](N(C1)C(=O)c1cc2c(s1)CCCCC2)C	GD-id_ZINC45446633	293.424	AHNGNMNDQDCTHG-VXGBXAGGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032565
C[C@H]1O[C@H](C)CN(C1)C(=O)c1cc2c(s1)CCCCC2	GD-id_ZINC17325963	293.424	DFBCSHWVTVNBDQ-VXGBXAGGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032566
C[C@@H](C1CN(C1)C(=O)c1sc2c(c1)CCCCCC2)O	EMOLS-id_317925012	293.424	VYFAFTPWDHSGBI-NSHDSACASA-N	00001000100000000100000000000010000000000000000000000000	31-01-032567
COC1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	PC-id_45801055,MCULE-5689522808,EMOLS-id_44819605,ZINC22_44892117	293.424	GUKSAHTZSDEHKO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032568
OC1CCC(C1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_103280572	293.424	DDPYLMKXLNAZFG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032569
OC1CCCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_102451222	293.424	RNTHQWHIBQGPET-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032570
OC1CCN(CC1C)C(=O)c1cc2c(s1)CCCCC2	PC-id_114680446,EMOLS-id_102688897	293.424	PMSOXWFUYBWKDU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032571
OC(C1CC1)CN(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_112117985	293.424	CZZSJLNJLKJRNC-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-032572
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O=C(c1cc2c(s1)CCCCC2)NC1CC(C1(C)C)O	PC-id_114630548	293.424	WACLAXVBRNNOTQ-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-032574
O=C(c1cc2c(s1)CCCCCC2)N1CCC(O)CC1	ZINC22_35110996,MCULE-7197872854,PC-id_43391849,EMOLS-id_44491571	293.424	OHCHJISEPUSHRO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032575
OCC1(CCC1)NC(=O)c1sc2c(c1)CCCCCC2	PC-id_115878001	293.424	JNEYFSWURSKKKE-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-032576
OCC1CCCC1NC(=O)c1cc2c(s1)CCCCC2	PC-id_103774350	293.424	ODQNOXSCGSOTKJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032577
OCC1C(C)CCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_102785865	293.424	FHALVDGTDQQCRH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032578
OCC1(C)CCN1C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_319278580	293.424	JNAJAJPYPIJGKF-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-032579
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OCC(C1CC1)(NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_109870582	293.424	GZQWOZWHPCNGII-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-032581
OCCC1CCN(C1)C(=O)c1cc2c(s1)CCCCC2	PC-id_115774993	293.424	AWOQLZSAFCWJJL-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032582
OCCC1(CNC(=O)c2cc3c(s2)CCCCC3)CC1	PC-id_114751651	293.424	CRXKEKRPNBUPQH-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-032583
OCCC(C1CC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_109618233	293.424	BGXLWFQDVLEHOY-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-032584
OCCN(C(=O)c1cc2c(s1)CCCCC2)C1CCC1	PC-id_102684832	293.424	KFTYVTDZZPZIAX-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-032585
OCCN(C(=O)c1sc2c(c1)CCCCCC2)CC=C	PC-id_115775482	293.424	UWWXCULWYBPVJB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032586
O[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)CCCCC2	PC-id_104927349	293.424	ULUYXKXCCCMJQR-CHWSQXEVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032587
O[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(s1)CCCCC2	PC-id_104957358	293.424	ULUYXKXCCCMJQR-STQMWFEESA-N	00000000100010000100000000000010000000000000000000000000	31-01-032588
O[C@H]1CCCN(C1)C(=O)c1sc2c(c1)CCCCCC2	PC-id_107224467	293.424	YTQPUCMSQZPAKF-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032589
O=C(N1CCC(C1)(C)O)c1sc2c(c1)CCCCCC2	PC-id_103726919	293.424	NSODBRGHPUWXOX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032590
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O=C(N1CCCC(C1)(C)O)c1cc2c(s1)CCCCC2	PC-id_115874353	293.424	ZHZOEAUXKCCGAL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032592
O=C(NC[C@H]1CCCO1)c1cc2c(s1)CCCCCC2	CoCoCo_1072834,PC-id_25621659,ZINC22_12941424	293.424	SFWCJFCFGXOKHJ-CYBMUJFWSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032593
O=C(NC[C@@H]1CCCO1)c1cc2c(s1)CCCCCC2	CoCoCo_1072835,PC-id_25621654,ZINC22_12941417	293.424	SFWCJFCFGXOKHJ-ZDUSSCGKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032594
s1c2c(CCCCC2)cc1C(=O)N1CC(CCC1)CO	PC-id_43403372	293.424	VOOCMFQLTVLXJG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032595
s1c2c(CCCCC2)cc1C(=O)N1C(CCCC1)CO	PC-id_43421286	293.424	FHQJLIUSJPSHEE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032596
s1c2c(CCCCC2)cc1C(=O)N1CCC(CC1)CO	PC-id_60957645	293.424	LCRJUEYCDSDYCE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032597
s1c2c(CCCCC2)cc1C(=O)N1CC(OC(C1)C)C	PC-id_47105760	293.424	DFBCSHWVTVNBDQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032598
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s1c2c(CCCCC2)cc1C(=O)NC1C(O)CCCC1	PC-id_62360698	293.424	ULUYXKXCCCMJQR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032600
s1c2c(CCCCC2)cc1C(=O)N(CC1CC(O)C1)C	PC-id_65994519	293.424	IIZIKDXDEFKPRR-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-032601
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s1c2CCCCCc2cc1C(=O)NCC(=O)C(C)(C)C	PC-id_64991366	293.424	LEXPPEHXSFZZIC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032604
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s1c2c(CCCCCC2)cc1C(=O)N1C(CCC1)CO	PC-id_61411173	293.424	CJUWQHBUTIQRHX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032606
s1c2c(CCCCCC2)cc1C(=O)N1CC(CC1)CO	PC-id_62371132	293.424	MNUVMEQDSBOSCT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032607
s1c2c(CCCCCC2)cc1C(=O)N1CC(OCC1)C	PC-id_60359484	293.424	QICRKKPHLDCEIT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032608
s1c2c(CCCCCC2)cc1C(=O)N1CC(O)CCC1	PC-id_43390817	293.424	YTQPUCMSQZPAKF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032609
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s1c2c(CCCCCC2)cc1C(=O)NCC1(COC1)C	PC-id_78956573	293.424	RBMYXTMSHHERKO-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-032613
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CC(C(=O)Nc1sc2c(n1)CCCCCC2)C1CNC1	PC-id_121727927	293.428	QEFDVPLVZNZIHK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-032625
C[C@@H]1NCC[C@@H](C1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_120619565	293.428	ZZHMYCJYRZBTRA-QWRGUYRKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032626
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CN1CCCC(C1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319385601	293.428	RHIMLPYWPZBJMW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032628
CN1CCCC[C@H]1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320267918,MCULE-1977678109	293.428	BPPIQXSSJFKDAR-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032629
CN(C1CCC1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319029216	293.428	LDYODTMJJZEOLB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-032630
CNC1(CCC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_319868430	293.428	XWASQZNFMNQSIZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-032631
CNC1C(=O)N(CCc2c1scn2)CC1CCCCC1	SCHEMBL14171133,PC-id_23554861	293.428	RBAOMTDMPVVDMQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032632
CN(CC1(CC1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_318850291	293.428	KYGRXIBAOOWCKJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-032633
CSC1(CNC(=O)c2cnc3n2CCCCC3)CCC1	ZINC22_598702821,PC-id_136554353,MCULE-3718024775,EMOLS-id_316950278	293.428	OBJGTPJUFMJUAM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-032634
NC1CCC(C1)C(=O)Nc1sc2c(n1)CCCCCC2	PC-id_119743805	293.428	XGDAEYMDZGHOSB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032635
NC1CCCC(C1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_119700443	293.428	HJJGYKGZBHCPFK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032636
NC[C@H]1CCC[C@H]1C(=O)Nc1nc2c(s1)CCCCC2	PC-id_121780371	293.428	MMHZGOBQYMPFCI-GHMZBOCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032637
NC[C@@H]1CCCN1C(=O)c1cc2c(s1)CCN(CC2)C	PC-id_145481285	293.428	JKBKUKIIJQDCPW-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032638
NC[C@@H]1C[C@@H]1C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_320072256,MCULE-7507857284	293.428	GOQAEFQJVRERBV-QWRGUYRKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-032639
NC(C(=O)Nc1sc2c(n1)CCCCCC2)C1CCC1	EMOLS-id_102097451	293.428	WEYXHMVDJHROTK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-032640
N[C@@H]1C[C@@H](C1)C(=O)NCCc1nc2c(s1)CCCCC2	MCULE-9762081900,EMOLS-id_320118959	293.428	QYLYJJFJDBHCIO-PHIMTYICSA-N	00001000100000000101000000000010000000000000000000000000	31-01-032641
O=C(C1CCCCC1)CSc1nnc2n1CCCCC2	PC-id_115576326	293.428	XGYAXFFMXBZFQP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032642
O=C(C1CCCCN1)Nc1sc2c(n1)CCCCCC2	PC-id_119300543,MCULE-5435999598,EMOLS-id_301458992	293.428	KAUWXGVKEUCAHF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032643
O=C(C1CCCN1)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319561504	293.428	PGCSZWPVHZQYEE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032644
O=C(C1CCCNC1)Nc1sc2c(n1)CCCCCC2	MCULE-1110692057,PC-id_119300571,EMOLS-id_301461041	293.428	RLYVUOFBKLJDIL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032645
O=C(C1CCNCC1)Nc1sc2c(n1)CCCCCC2	MCULE-3766761495,PC-id_119300553,EMOLS-id_301460528	293.428	MRUAHLSBRAINAS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032646
O=C(C1CNCC1)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319642538	293.428	PJARYUKWVIWFML-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032647
O=C(C1(N)CCC1)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319593956	293.428	ZCNGBWKAHOYTJH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-032648
O=C(C1(N)CCCCC1)Nc1nc2c(s1)CCCCC2	MCULE-1293111454,PC-id_119277049,EMOLS-id_301285024	293.428	QGCJZLSPCNNPRK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032649
O=C(C[C@@H]1CCC[C@H]1N)Nc1nc2c(s1)CCCCC2	PC-id_121780373	293.428	RDTKUXYJRIRJLC-WDEREUQCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032650
O=C([C@H]1CCCN1)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319561248	293.428	PGCSZWPVHZQYEE-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032651
O=C([C@@H]1CCCN1)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319905861,MCULE-6733632980	293.428	PGCSZWPVHZQYEE-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032652
O=C(Nc1nc2c(s1)CCCCC2)CCC1CNCC1	PC-id_120070665,MCULE-8143616621,EMOLS-id_302239067	293.428	IXQQDHKWLMNRJW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032653
O=C(Nc1nc2c(s1)CCCCC2)C[C@H]1CCCNC1	EMOLS-id_319772795	293.428	SNLOMGJXXPDBDU-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032654
O=C(Nc1nc2c(s1)CCCCC2)NC1CCCCC1	PC-id_112825097	293.428	SRMCWVBCEZIIOM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032655
O=C(Nc1sc2c(n1)CCCCCC2)CC1CCCN1	MCULE-4808785742,PC-id_119743833,EMOLS-id_302127663	293.428	JCRKSSSKQCFANB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032656
O=C(Nc1sc2c(n1)CCCCCC2)CNCC1CC1	EMOLS-id_302126383,MCULE-3163236831,PC-id_119743815	293.428	YDOOFVUAODFHDL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-032657
CCC(CCCSc1nnc2n1CCCCC2)(C#N)N	PC-id_106805182	293.431	FMWILBSWXXASIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032658
S(c1n2CCCCCc2nn1)CCCCC(N)(C)C#N	PC-id_61919886	293.431	SWXOVIGJSBLTOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032659
S(c1n2CCCCCc2nn1)CCCC(NC)(C)C#N	PC-id_61920517	293.431	SHOISJSWVGPSGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032660
S(c1n2CCCCCc2nn1)CCC(NCC)(C)C#N	PC-id_61928385	293.431	IFBPOVGSXXJSJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032661
S(c1n2CCCCCc2nn1)CCC(NCCC)C#N	PC-id_63054072	293.431	SFJDDVBKLDQBJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032662
S(c1n2CCCCCc2nn1)CCC(NC(C)C)C#N	PC-id_63054596	293.431	PJZGEESNPWBNQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032663
S(c1n2CCCCCc2nn1)CC(NCCC)(C)C#N	PC-id_61927973	293.431	QTCJWAPUTXJDOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032664
S(c1n2CCCCCc2nn1)CC(NC(C)C)(C)C#N	PC-id_61927974	293.431	NOZIPQJRTDDEEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032665
S(C(CC(NC)(C)C#N)C)c1n2CCCCCc2nn1	PC-id_64709194	293.431	KBHCZUPKDCULLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032666
[Si](OC1=CCCCc2[nH]cc(c12)C(=O)OCC)(C)(C)C	PC-id_20605652	293.434	PYGLJYXQLMONRK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-032667
Cn1c(c2c(c1C(C)(C)C)OCC(CO2)(C)C)C(C)(C)C	PC-id_144278969	293.444	VKTZKTVJNFKORX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032668
CC(c1ccc(c2-c(c1)c(C)cc2C=C1[S+]=CC=C1)C)C	PC-id_101760688	293.446	SVMKFAPWMPMJBT-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-032669
Cc1csc(n1)CC(c1cc2c(s1)CCCCC2)O	PC-id_115824177	293.447	JOAGCXFXCCIYIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032670
Cc1scc(n1)CC(c1cc2c(s1)CCCCC2)O	PC-id_115812113	293.447	WIYRDMZNYACVAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032671
s1c2c(CCCCC2)cc1C(=O)N1CC[NH+](CCC1)C	PC-id_8067108	293.447	XVYYAZVUPLHVSS-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-032672
s1c2c(CCCCC2)cc1C(=O)NC1CC[NH+](CC1)C	PC-id_27211771	293.447	ROZNAXSVUQGXNJ-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-032673
O(CCNCc1[nH]c2CCCCCCCCCCc2n1)C	PC-id_63954679	293.448	ZZZJXQKYYBTXKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032674
NNC(c1cc2c(s1)CCCCC2)Cc1cncs1	PC-id_105331922	293.451	QZXPXDFUULQBCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032675
NNC(c1cc2c(s1)CCCCC2)Cc1nccs1	PC-id_105324488	293.451	YKZHKWHGCCLUDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032676
s1c2CCCCCCc2c(c1NC(=S)NCC)C#N	PC-id_57341528	293.451	SKDPWLWNFPFYGQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032677
S(C[Si](C)(C)C)c1[nH]c(=O)c2-c1ccc(OC)cc2	PC-id_24814338	293.457	PTHRIAYKQJUKNC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032678
CCC(CNC(=O)c1sc2c(c1)CCCCCC2)CC	PC-id_116374541	293.467	XPBRKHMGWLZGQO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032679
CCCNC(c1cc2c(s1)CCCCC2)C1COCC1	PC-id_115856481	293.467	YOKUDHYUGGOJCT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032680
CCNC(c1cc2c(s1)CCCCC2)C1CCCOC1	PC-id_107139078	293.467	FEODMRSSBUUNBR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032681
CCNC(c1cc2c(s1)CCCCC2)C1CCOCC1	PC-id_115855740	293.467	XGVSWVISNLJYRN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032682
CNC(c1cc2c(s1)CCCCC2)CC1CCOCC1	PC-id_115846934	293.467	VQRSWOFQVBDXRF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-032683
CNC(c1cc2c(s1)CCCCC2)CCC1CCCO1	PC-id_104993724	293.467	JAFUUSPWMBFPDS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032684
NC(c1cc2c(s1)CCCCC2)CCCC1CCCO1	PC-id_104993441	293.467	PNEUYFZHBKJARP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032685
s1c2c(CCCCCC2)cc1C(=O)N(C(CC)CC)C	PC-id_52619836	293.467	PZURLLZZJABUAY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032686
s1c2C(C(N(C(C(=O)c2c(c1C)C)(C)C)C)(C)C)(C)C	PC-id_18719727	293.467	NTRAVQHBIJJFSS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032687
s1c(nc2c1CCCCC2)C(N1CCNCC1)CCC	PC-id_63342384	293.471	CICYPPZPBMXILB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032688
s1c(nc2c1CCCCCC2)C(N1CCNCC1)CC	PC-id_63342600	293.471	STFUPCNQBFHJRW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032689
s1c(nc2c1CCCCCC2)C(N1CCNCC1)(C)C	PC-id_63342737	293.471	VSNSGVOMFIDJHF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032690
CCCCCC(c1cc2c(s1)CCCCC2)NCCC	PC-id_115837184	293.51	KRKHAJOEGHBHJA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032691
CCCC(CC(c1cc2c(s1)CCCCC2)NCC)C	PC-id_115845203	293.51	KWBGOMCWPSEAGU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032692
CCCCC(CC(c1cc2c(s1)CCCCC2)N)CC	PC-id_115806853	293.51	RUGHXYFNTYNCFT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032693
CCCCCCC(c1cc2c(s1)CCCCC2)NCC	PC-id_115833125	293.51	DIDZKSLFVTVAQW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032694
CCCCCCCC(c1cc2c(s1)CCCCC2)NC	PC-id_115832295	293.51	DDHGXBIKLMIEEZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032695
CCCCCCCCC(c1cc2c(s1)CCCCC2)N	PC-id_115835800	293.51	DNAGIRQANDWXPI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032696
CCCNC(c1cc2c(s1)CCCCC2)C(CC)CC	PC-id_105013819	293.51	BYQBRXVJIIJCOC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032697
CCCNC(c1cc2c(s1)CCCCC2)C(CCC)C	PC-id_107893519	293.51	CKLHOMJEBHABJO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032698
CCCNC(c1cc2c(s1)CCCCC2)CCC(C)C	PC-id_115834235	293.51	BKYZJSHPMALGLP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032699
CCCNC(c1cc2c(s1)CCCCC2)CC(CC)C	PC-id_115846180	293.51	XKNQYRHSCJDKFA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032700
CCCNCc1csc2c1CCCCCCCCCC2	PC-id_114748890	293.51	HRHZBCKBOQQAMB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032701
CCNC(c1cc2c(s1)CCCCC2)CC(CC)CC	PC-id_105027948	293.51	RHJYTJIQAAUNCP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032702
CCNC(c1cc2c(s1)CCCCC2)CCCC(C)C	PC-id_105028520	293.51	VFRMZPHTJWTBIA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032703
CCNC(c1cc2c(s1)CCCCC2)CCC(C)(C)C	PC-id_115849703	293.51	URJOBILWMLGKMK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032704
CC(NCc1csc2c1CCCCCCCCCC2)C	PC-id_114748962	293.51	DJZPGEAKVXMNSL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032705
s1c2C(C(NC(C(c2c(c1C)C)(C)C)(C)C)(C)C)(C)C	PC-id_18719729	293.51	XMVUZPQCNBDGGS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032706
s1c(c2C(C(NC(C(c2c1C)(C)C)(C)C)(C)C)(C)C)C	PC-id_18719728	293.51	OIPYIQJBJXFWHK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032707
O=C(c1nccnc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_316569202	293.712	XPTIALQJYFFBBV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-032708
O=C1NCCCc2nn(Cc3c(F)cccc3Cl)cc12	EMOLS-id_276241586,MCULE-8153875779,ZINC22_585140526	293.724	GVCLDBUHSQNGQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032709
O=C(c1nn(c(c1Cl)C)C)N1CCCc2c(C1)cco2	EMOLS-id_102170645	293.749	OEYHVAVTDCWPQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032710
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(Cl)cnn1C	EMOLS-id_319122394	293.752	KHXIFRNWDNITDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032711
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nn(cc1Cl)C	EMOLS-id_318999194	293.752	FRMQYVSJIFTUQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032712
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ncc(c1)Cl	EMOLS-id_319292466	293.752	XGHJLUYVKGEPEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032713
C[C@@H]1Cc2nnc(COc3cncc(Cl)c3)n2CCN1	ZINC22_585097275	293.752	HPKOYHSXUXPQEC-SECBINFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-032714
C[C@H]1Cc2nnc(COc3cncc(Cl)c3)n2CCN1	ZINC22_585097279	293.752	HPKOYHSXUXPQEC-VIFPVBQESA-N	00000000100000101101000000000010000000000000000000000000	31-01-032715
Clc1c[nH]c(c1)C(=O)NCc1cc2CNCCCn2n1	MCULE-8272131535,PC-id_74238724,EMOLS-id_49656498,ZINC22_97547622	293.752	QGZOIAXPPMQFSW-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-032716
O=C(c1n[nH]c2c1CCCCC2)Nc1cnn(c1Cl)C	EMOLS-id_258135160,MCULE-3596716192	293.752	DAZOSIXEGXCZNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032717
O=C(NCc1nnc2n1CCCCC2)c1cc(Cl)c[nH]1	MCULE-8420363657,ZINC22_48416744,EMOLS-id_31380198,PC-id_47019788	293.752	DEEWNCBQLVWNRH-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-032718
Clc1ccc(c(c1)Cn1cc2c(c1)CCCCC2O)F	PC-id_103047377	293.764	IPURDUXTDLBUKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032719
Clc1ccc(c(c1)F)Cn1cc2c(c1)CCCCC2O	PC-id_114851476	293.764	MHEXQJUUEJJLNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032720
Clc1c(Cn2cc3C(O)CCCCc3c2)ccc(F)c1	PC-id_83208252	293.764	XZUMRILNSJYAPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032721
Clc1c(Cn2cc3C(O)CCCCc3c2)c(F)ccc1	PC-id_83209071	293.764	OUORSCAODYXTEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032722
Fc1ccc(c(c1)Cn1cc2c(c1)CCCCC2O)Cl	PC-id_102617063	293.764	PYYJYCOXCWQWDR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032723
OC1CCCCc2c1cn(c2)Cc1ccc(c(c1)Cl)F	PC-id_103038781	293.764	WSTCFVKVULFACS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032724
OC1CCCCc2c1cn(c2)Cc1cccc(c1Cl)F	PC-id_115983308	293.764	MBAYYWYPAYHYEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032725
OC1CCCCc2c1cn(c2)Cc1cccc(c1F)Cl	PC-id_102856717	293.764	WAVRILKZNLSXGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032726
OC1CCCCc2c1cn(c2)Cc1ccc(c(c1)F)Cl	PC-id_107883254	293.764	CHOQLKSKQASIAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032727
Clc1c(n(nc1C)C)Cn1cc2C(O)CCCCc2c1	PC-id_83208903	293.792	RBTKVCNGVUXBAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032728
OC1CCCCc2c1cn(c2)Cc1c(C)nn(c1Cl)C	PC-id_116067513	293.792	UFUXKPNXMQFCGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032729
Clc1c(CN2CC(O)c3c(scc3)CC2)cccc1	PC-id_13508772	293.812	FONVHNJJMAZDOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032730
Clc1ccc(CSc2n3CCCCCc3nn2)cc1	PC-id_47096061	293.815	URUITKXIHBXIJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032731
N1(Cc2ccc(Cl)cc2)CCc2sc(N)nc2CC1	SCHEMBL7285361,MCULE-4799620520,PC-id_134342	293.815	QHNGFZZXGOFXPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032732
Brc1c(Br)nc2n1CCCCC2	PC-id_68606613,SCHEMBL3346437	293.986	MVACIPFJYMNBOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032733
CCCN1B(C)Nc2ncnn2C(SN(B1C)C)(C)C	PC-id_144358411	294.035	PHMVRJJZEUWSRE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032734
C1CCCCC2=C(CCC1)NC(=N2)C(Cl)(Cl)Cl	PC-id_163718415	294.046	KPJKJWKSXASHEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032735
C1CN2C(=CC(=N2)C(=O)O)OCC1COCC(F)(F)F	EMOLS-id_337761738,PC-id_153545601	294.083	XLVWEYYMPIGYBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032736
C1CN(C(=O)Cn2c1cc(n2)Br)CC(F)F	SCHEMBL20517517,PC-id_135343174	294.096	JKWLGHARNPXHAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032737
C[C@@H](C1=C(C(=CC=C1)Cl)F)N2CCCN3C(=CN=N3)C2	PC-id_164642074,ZINC22_886462865	294.105	GZWMKCVTWHUAEC-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-032738
PPP(n1nnc2c1C(=O)N(C)CCC2)P	PC-id_23592169,SCHEMBL9881433	294.107	FIYJWJBXZBZHNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032739
C1C=CC=CC=CC(=CC=CN=CC2=CC=CN21)NC(=O)[O-]	PC-id_149254060	294.125	MUSOFKWOKUJIRA-UHFFFAOYSA-M	00000000100000000111000000000010000000000000000000000000	31-01-032740
C[Si](C)(C)CCOCN1C=CC2=C1C(=O)NCCC2=O	PC-id_154388172	294.14	PGXQOONURZGEMR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032741
CCOC(=O)c1c2-c(c(c1N)Br)ccccc2	PC-id_102598994	294.144	ZVJZJKTXXVZCKC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032742
CCOC(=O)c1c(N)cc2-c1ccc(cc2)Br	PC-id_102128318	294.144	LYZFHPHYRABSKC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032743
BrCS(=O)(=O)N1CCCc2c(C1)cn[nH]2	MCULE-1781977946	294.169	MPVNTMZWYISAPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032744
CN(C)C=C1CCCC2=C(C1=O)N(C=C2)CC3=CC=CC=C3	PC-id_154499324	294.173	CMWFXZUKLYQYPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032745
C1CCC(CC1)CCCC2=NN=C3N2CCSC[C@H]3N	PC-id_153803546	294.188	XREWJIHQFFVJKN-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032746
CCOC(=O)N1CCc2c(CC1)c(c(s2)Cl)Cl	PC-id_59302563,SCHEMBL3004061	294.197	ORKCXYHERGVVOM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032747
CCOC(=O)c1cc2OCC(CCn2n1)OC(F)(F)F	PC-id_153545598,EMOLS-id_337760971	294.227	DWZIKWHFBBZBPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032748
CSC1NCCOc2c1sc(c2Br)C	PC-id_139776116	294.232	NEQQYFUIMNSOHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032750
OC(=O)c1nc2CCCCN(C(=O)C(F)(F)F)c2s1	EMOLS-id_331230521	294.25	VJHRWNQUKZFXFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032751
o1c2-c(c(C(=O)c3cc(=O)c(O)ccc3)c1=O)ccccc2	PC-id_599783	294.258	XOTDZDUGJHIBER-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032752
CN1CCC(CC1)Oc1noc2c1OC(=O)C=CC(=O)O2	PC-id_142630348	294.26	FAICOBFWOGDVAK-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-032753
c1ccc2-c(c(c(=O)[nH]2)N=Nc2ccccc2[N+](=O)[O-])cc1	PC-id_136157030	294.265	PXYIRXBTSPNAFT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-032754
O=c1[nH]c2-c(c1/N=N/c1ccccc1[N+](=O)[O-])ccccc2	SCHEMBL13042334	294.265	PXYIRXBTSPNAFT-ISLYRVAYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-032755
CCCCOc1cc(ccc2-c1ccc2)CP(=O)(O)O	PC-id_17776087,SCHEMBL8334140	294.283	SYILYVWNJMMSMR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032756
FC(COC(=O)Nc1sc2c(CCCCC2)n1)(F)F	ZINC22_69949496,PC-id_53619518,MCULE-4183008645,EMOLS-id_36648973	294.293	UULBDTBPXYCHSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032757
N#CC1CC(CN1C(=O)c1n[nH]c2c1CCCCC2)(F)F	EMOLS-id_319352163	294.3	CFYWNCUADKKBNE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032758
CCOC(=O)c1cc2n(n1)CCC[C@H](C(=O)OCC)C2=O	ZINC22_91696051,PC-id_97136652	294.303	XTNMIESHPDASOW-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-032759
CCOC(=O)c1cc2n(n1)CCC[C@@H](C(=O)OCC)C2=O	ZINC22_91696053,PC-id_97136653	294.303	XTNMIESHPDASOW-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032760
CCOC(=O)C1CCCn2nc(cc2C1=O)C(=O)OCC	MCULE-7000432095,SCHEMBL6383963,EMOLS-id_45957119,PC-id_22605308	294.303	XTNMIESHPDASOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032761
FC(c1nccnc1NCc1nnc2n1CCCCC2)F	EMOLS-id_318647402,MCULE-2579953268	294.303	GBFWYOJGVNCDSE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-032762
O=C(c1noc2c1CCCCC2)NC1(CCOC1)C(=O)O	EMOLS-id_72340664,PC-id_120532791,MCULE-5327629211	294.303	GLLRFMVRSGBTCK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032763
OC(=O)C1COCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_72329808,PC-id_120521765,MCULE-6342532366	294.303	DXTYMJVWYVBDSS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032764
OC(=O)C1OCCN(C1)C(=O)c1noc2c1CCCCC2	PC-id_120526125,MCULE-5477423680,EMOLS-id_57616849	294.303	WPZKXNNDPSYQOL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032765
CCOC(=O)c1c(Nc2cnccn2)nc2-c1ccccc2	PC-id_102285815	294.308	CYRGSFMMPCJQTC-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-032766
O=C1Nc2cc[nH]c2C(=O)NC1Cc1c[nH]c2c1cccc2	PC-id_101879183	294.308	CXGRUGMNULUTCH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-032767
O=C(C1=CCc2c(C=C1)[nH]nc2)CCC(=O)c1ncccn1	PC-id_144689423	294.308	QLQIJYDCXAOASJ-UHFFFAOYSA-N	00000000100000100111000000000010000000000000000000000000	31-01-032768
O(C(=O)c1c2-c(nc1Nc1ncccn1)ccccc2)CC	PC-id_44139184	294.308	GDADQWFVXAWBPO-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-032769
Cc1cc(ccc2-c1c(cc2C)C(=O)C(F)(F)F)C(C)C	PC-id_101090558	294.311	ZYHQICIYGHUDTA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032770
FC(F)(F)C(=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_11999973	294.311	ZHVTUHCJNZJHQX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032771
FC(F)(F)C(=O)c1c2-c(c(c1)CC)cccc(C(C)C)c2	PC-id_86252809	294.311	TYNVFNWHVUIDIE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032772
CCO[n+]1ccccc1C(=O)Oc1cc2-c(c1)ccccc2	PC-id_139778024	294.325	COZRSBLDCIICRP-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-032773
s1c(c2c(NC(=O)C=C(NC2=O)C)c1C(=O)OCC)C	PC-id_5418817	294.326	VGDCLPDSZAIUFH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-032774
c12C(=O)NCCCc1nc(NC(=O)C1CCC(=O)N1)s2	EMOLS-id_48619002,PC-id_72719957,MCULE-9363484543	294.33	JWJRIDFAKKBZDZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032775
COc1nnc(NC(=O)N2CCCc3occc3C2)s1	EMOLS-id_316842181,ZINC22_288850154,MCULE-6436065750	294.33	OHYNCFOHORAWJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032776
O=C1CC[C@H](C(=O)Nc2nc3c(s2)C(=O)NCCC3)N1	PC-id_97428930,ZINC22_96124374	294.33	JWJRIDFAKKBZDZ-SSDOTTSWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032777
O=C1CC[C@@H](C(=O)Nc2nc3c(s2)C(=O)NCCC3)N1	ZINC22_96124373,PC-id_97428929	294.33	JWJRIDFAKKBZDZ-ZETCQYMHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032778
O=c1[nH]nc2CCN(CCn12)S(=O)(=O)c1ccccc1	MCULE-3993449606,EMOLS-id_239628402	294.33	WHKJKHUBKXXWKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032779
s1cc(nc1C(=O)O)Cn1nc2n(CCCCC2)c1=O	PC-id_43664776	294.33	DNGZIJZQUPGNEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032780
S(c1n2CCCCCc2nn1)Cc1onc(c1)C(=O)O	PC-id_61397525	294.33	MURCDFKQDQGPJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032781
Cn1cnc([N+](=O)[O-])c1Sc1nnc2n1CCCCC2	PC-id_18126002,ZINC22_65504576,EMOLS-id_35360759,MCULE-5645662811	294.333	FYHONUQJBNOBLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032782
COc1nscc1NC(=O)N1CCCn2c(C1)cnn2	EMOLS-id_318871838	294.333	XGIHGNUESVRFLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032783
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1nncs1	PC-id_37736228,ZINC22_30611503,CoCoCo_4758802,MCULE-6937705070,EMOLS-id_24072968	294.333	RKKVFJKYGMZULI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032784
O=C(NC1CCn2c(CC1)nnn2)COc1ccsn1	EMOLS-id_319112945	294.333	FKNKDJWWGWRLHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032785
NCC(C(F)(F)F)CSc1nnc2n1CCCCC2	PC-id_103371644	294.34	YWQOIURHXCFLEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032786
S(c1n2CCCCCc2nn1)C(CCN)C(F)(F)F	PC-id_43753420	294.34	KBVOGRJSHYSAGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032787
S(c1n2CCCCCc2nn1)CCNCC(F)(F)F	PC-id_62578146	294.34	LZARGNQJABPSJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032788
S(C(C(N)C)C(F)(F)F)c1n2CCCCCc2nn1	PC-id_61648386	294.34	NKJOHQXVKNOPHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032789
FC(F)n1c(ncc1)Cn1cc2C(NC)CCCCc2c1	PC-id_83211527	294.343	JCWWNHORYCLJAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032790
CC(C1OCCN(C1)C(=O)c1noc2c1CCCCC2)O	EMOLS-id_112010594	294.346	MEUNMXDRYPNWFK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032791
CCCCC(C(=O)O)NC(=O)c1noc2c1CCCCC2	PC-id_120537922,MCULE-3044655568,EMOLS-id_57642341	294.346	BPCILXPYNDVKLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032792
CCCC[C@@H](C(=O)O)NC(=O)c1noc2c1CCCCC2	PC-id_121899749	294.346	BPCILXPYNDVKLL-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-032793
CCCC(C(=O)O)CNC(=O)c1noc2c1CCCCC2	PC-id_121969950,EMOLS-id_72648803,MCULE-9037436782	294.346	KZAUPICNHNLRRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032794
CCCC(C(=O)O)(NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_57592391,PC-id_120516995,MCULE-8623265747	294.346	TUFVLLVWYSGWSX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032795
CC(CC(C(=O)O)NC(=O)c1noc2c1CCCCC2)C	PC-id_120516073	294.346	HYTCZQUZNFNNOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032796
CCC(C(C(=O)O)NC(=O)c1noc2c1CCCCC2)C	PC-id_120520861	294.346	NJVIVNAMMYASDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032797
CC(C[C@@H](C(=O)O)NC(=O)c1noc2c1CCCCC2)C	PC-id_121897680,EMOLS-id_72505498,MCULE-9348141545	294.346	HYTCZQUZNFNNOF-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-032798
CC(C[C@H](C(=O)O)NC(=O)c1noc2c1CCCCC2)C	PC-id_121897763,MCULE-3005718799,EMOLS-id_72505654	294.346	HYTCZQUZNFNNOF-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032799
CC(C)(C)OC(=O)N1CC(CC(=O)O)Cn2cccc2C1	EMOLS-id_266611477,MCULE-7225389238	294.346	GAUSFGRPMAHWID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032800
CC[C@@H]([C@@H](C(=O)O)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_57593601,MCULE-7034161210,PC-id_120517420	294.346	NJVIVNAMMYASDO-CABZTGNLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032801
CCC(N(C(=O)c1noc2c1CCCCC2)CC(=O)O)C	EMOLS-id_72333808,MCULE-3396001057,PC-id_120529888	294.346	MTHBZZDLKSQDPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032802
CC(CN(C(=O)c1noc2c1CCCCC2)CC(=O)O)C	PC-id_120517227,EMOLS-id_57593197,MCULE-9273194358	294.346	JXAFZKBDPHEBOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032803
CCN(C(=O)c1noc2c1CCCCC2)[C@@H]1COC[C@H]1O	EMOLS-id_319846619,MCULE-7849335336	294.346	MXZSNYCLFWRTIY-VXGBXAGGSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032804
CCO[C@@H]1COC[C@H]1NC(=O)c1noc2c1CCCCC2	EMOLS-id_101506629	294.346	OPRPDGGNHZPIOA-DGCLKSJQSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032805
CCO[C@@H]1COC[C@H]1NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_101579460	294.346	UCBZYNKVCHHKEZ-TZMCWYRMSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032806
CNC1C(=O)N(CCc2c1occ2)CC(=O)OC(C)(C)C	PC-id_71093832,SCHEMBL14171274	294.346	SJIBUPSKDAYDIH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032807
COC1(CCOC1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_101010664	294.346	UEHKJMKRVSRNFT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032808
COC1(COCC1)CNC(=O)N1CCCc2c(C1)cco2	MCULE-8941337026,EMOLS-id_316850414	294.346	DPZVQZOQISJQQW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-032809
COC1(OC)CC(C1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_316551547	294.346	BPTGFIAAIVCNGW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-032810
COCC1OCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111422333	294.346	VVOADCSJSLDFPW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032811
COCCOC1CN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_101056246	294.346	LPFNMRSXRIBTMK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-032812
o1nc2n(C(CCCC2)CC=CCC(C)C(=O)OC)c1=O	PC-id_72611610	294.346	SMBZRCYDLBFBJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032813
o1nc2n(C(CCCC2)CC=CC[C@H](C)C(=O)OC)c1=O	PC-id_59974986	294.346	SMBZRCYDLBFBJG-PXYINDEMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032814
CCOC(=O)c1c(OCC)c(c2-c1ccccc2)C(=O)OC	PC-id_141346787	302.322	RYHBIYGBPSGWDA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037230
OCC1(C)CC(CN1C(=O)c1noc2c1CCCCC2)O	EMOLS-id_316731077	294.346	QSZOIJLRGMVMOI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032815
OCC1(CCOCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111935557	294.346	GEALKIRVOOTCJX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032816
OCC1(CO)CCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_319293173	294.346	LGBBVKKARWOIES-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032817
OCC1(CO)CCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_278976850	294.346	WKOYHKVFOLTXQA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032818
O=C(c1noc2c1CCCCC2)NCC1(O)CCOC1C	EMOLS-id_111969106	294.346	JMXDBPRJBHDVAN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032819
O=C(c1noc2c1CCCCC2)NCC1(O)CCOCC1	EMOLS-id_111931549	294.346	RPKXRYKVKJSXBL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032820
O=C(c1noc2c1CCCCC2)NCCC(C(=O)O)(C)C	MCULE-7479103302,PC-id_121950923,EMOLS-id_72610785	294.346	KACLHHNLJQVHTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032821
OCC1OC(C)CN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111340007	294.346	BNCLEWHRNJRHCM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032822
O=C=C(c1cc2-c(c1)ccccc2)c1cc2-c(c1)ccccc2	PC-id_101175762	294.346	KCCMNYZNIZGNTA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-032823
O(C(C)(C)C)C(=O)N1CCc2[nH]c(cc2CC1)CC(=O)O	PC-id_84815315	294.346	KWQSBYHPTYKFGJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-032824
OC[C@@H]1CC[C@H](N1C(=O)c1noc2c1CCCCC2)CO	EMOLS-id_316584335	294.346	VAMMIQRPMXUOKE-QWRGUYRKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032825
OC(=O)CCCCCNC(=O)c1noc2c1CCCCC2	MCULE-8480393509,EMOLS-id_57604265,PC-id_120522518	294.346	ZVHHZLBORDKMBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032826
OC(=O)CCC(NC(=O)c1noc2c1CCCCC2)(C)C	EMOLS-id_72330322,MCULE-2290648575,PC-id_120519433	294.346	UCJYFSYVTYWPOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032827
OC(=O)CCN(C(=O)c1noc2c1CCCCC2)C(C)C	EMOLS-id_72327110,PC-id_120520076,MCULE-4158707548	294.346	WLSAFHMXYGNLEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032828
COC(=O)C(n1cc2c(n1)C=CCC=C2)Cc1ccccc1	PC-id_145262203	294.348	WDQLSDWBNMQHSE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-032829
OC1=CCC=c2c(=C1)cc([nH]2)C(=O)N[C@@H](c1ccccc1)C	PC-id_144935787	294.348	DOQBUTNWDKYWMI-GFCCVEGCSA-N	00000000100000110110000000000010000000000000000000000000	31-01-032830
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)[C@H](C)NC	PC-id_56913395,MCULE-8818025744,EMOLS-id_43169570,ZINC22_72477177	294.349	MBEAUGQYTQPZIL-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-032831
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)NCCC	EMOLS-id_43097155,ZINC22_72420402,PC-id_70728188,MCULE-8126720959	294.349	IEBACUXXWIBQBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032832
c1(cn2c(CCNCC2)n1)C(=O)N1CC[C@@H]([C@@H](O)C1)CO	MCULE-7059045797,ZINC22_1857733043,EMOLS-id_330488115	294.349	SGTZOUUJWNWJJU-PWSUYJOCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032833
CC(C)(CCCCn1cnc2c1NC=NCC2O)C(=O)O	PC-id_10732552,CHEMBL291112,BindingDB_PC-id_10732552	294.349	ADRDXOHKVRDVRY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-032834
CCCCCCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135088229	294.349	FYVDXMRYFFNTER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032835
CCN([C@@H]1COC[C@H]1O)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319571261	294.349	WJFMIQLNNNYRNJ-PQDIPPBSSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032836
CCOC(=O)CCCCCn1cnc2c1NC=NCC2O	CHEMBL285450,PC-id_10517890,BindingDB_PC-id_10517890	294.349	LWIHIYZUQUSJJA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-032837
COCC1CN(Cc2nccn2C1)C(=O)N1CCOCC1	EMOLS-id_44325821	294.349	KBAMOQLQSSGVNX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032838
COC[C@H]1CN(C(=O)N2CCOCC2)Cc2nccn2C1	ZINC22_96187788,PC-id_97462241	294.349	KBAMOQLQSSGVNX-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032839
COC[C@@H]1CN(C(=O)N2CCOCC2)Cc2nccn2C1	ZINC22_96187789,PC-id_97462242	294.349	KBAMOQLQSSGVNX-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032840
COCC(=O)N1CCCn2nnc(COCC3CC3)c2C1	ZINC22_96058857,EMOLS-id_46148011,PC-id_97381514	294.349	CTXSQOSMRKHFGM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-032841
CO[C@@H]1COC[C@@H]1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101694098	294.349	NSVGGTOHRGQBRM-WCQYABFASA-N	00000010100000000101000000000010000000000000000000000000	31-01-032842
O1CC(CC1)CNC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55659356	294.349	MYDAESRZOAZVBU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032843
OC1c2n(CCCCC(C)(C)C(=O)O)cnc2NC=NC1	PC-id_10780141	294.349	TXEBWLMCMSJOTE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-032844
OC1c2n(CCCCCCCC(=O)O)cnc2NC=NC1	PC-id_10851334	294.349	FSDWAPTZYSFCRJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-032845
OC1c2n(CCCCCC(=O)OCC)cnc2NC=NC1	PC-id_10494028	294.349	WJUNFFXQBBMIIV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-032846
OC1CCCN(C1)C(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_110885873	294.349	IPQIPKBYYROMBM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032847
O=C(C1CCn2c(CC1)nnc2)NCC1COC(O1)(C)C	EMOLS-id_316722604	294.349	KYTVAWFCTLYBCS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032848
OCC1CCn2nccc2CN1C(=O)CN1CCOCC1	EMOLS-id_313817902	294.349	FTBKLHRPOIJZDX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032849
OCC1CCN(C1)C(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_109873764	294.349	IXLCVCFSLPVQBO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032850
OCC1(CNC(=O)Cn2nc3n(c2=O)CCCCC3)CC1	PC-id_112285926	294.349	LJKYSAXHOXLKRR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-032851
O=C(CCC(=O)O)NCCCc1nnc2n1CCCCC2	EMOLS-id_72038577,MCULE-9172688921,PC-id_120192642	294.349	SOXWDKGKNQLMQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032852
OC[C@H]1CCCN1C(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_109872828	294.349	ONWIQHJRCZZDMT-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032853
O=C(CN1CCOCC1)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585096929	294.349	FTBKLHRPOIJZDX-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032854
O=C(CN1CCOCC1)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585096936	294.349	FTBKLHRPOIJZDX-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032855
O=C(Cn1nc2n(c1=O)CCCCC2)NOC1CCCC1	ZINC22_1116472010	294.349	QDNNWZKKLHVDPP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-032856
Brc1cc(c2-c1ccccc2)[C@@H](C(F)(F)F)O	PC-id_101362046	305.091	LHQNDAPUIZDNFS-NSHDSACASA-N	00000010100000000110000000000010000000000000000000000000	31-01-039858
OCCN(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1	PC-id_112383032	294.349	LJISJTUTPUYXKF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-032857
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)C(NC)C	PC-id_76439309	294.349	MBEAUGQYTQPZIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032858
O=C(NC(c1n2CCCCCc2nn1)C)CCCC(=O)O	PC-id_60941046	294.349	XOOLZBDHUFTUCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-032859
O=C(O)CCCCCCCn1cnc2c1NC=NCC2O	CHEMBL38305,PC-id_10803736,BindingDB_PC-id_10803736	294.349	OVBKFFMCCMPMHV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-032860
c12C(=O)NCCCc1[nH]c(CCn1c3ccccc3cc1)n2	ZINC22_95389418,MCULE-9267171643,PC-id_72933460,EMOLS-id_46648156	294.351	FCFMKHNKHOTURB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-032861
C1C=CC2C1CN(C2)NC(=O)c1n[nH]c2=CC=CC=CC=c12	PC-id_91358561	294.351	ZHACHUYSZJTIGV-UHFFFAOYSA-N	00000011100000000111000000000110000000000000000000000000	31-01-032862
c1(C(=Cc2ccc(cc2)OC)C#N)nnc2CCCCCn12	MCULE-4770136527,PC-id_5078041	294.351	QGWDXQOKZKWZQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032863
C1(=CC(C#N)C(=O)c2ccccc2)NN=C2CCCCCN12	MCULE-8069893447,PC-id_71819850	294.351	ZUKUIPDQLSWKND-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-032864
c1coc(c1)c1cccc(c1)CN1CCn2c(CC1)nnc2	CoCoCo_1350731,PC-id_29257300,CoCoCo_1350730	294.351	GJUJZIIHJZELFL-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-032865
c1coc(c2ccccc2CN2CCc3nncn3CC2)c1	CoCoCo_1589191,EMOLS-id_20712241,ZINC22_20540008,PC-id_29027634,MCULE-3662041560,CoCoCo_1589190	294.351	NHSJXQAERCFILU-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-032866
c1(C(=O)Nc2ccc3c(cc[nH]3)c2)c2CCCCCc2[nH]n1	ZINC22_96224309,EMOLS-id_50402296,EMOLS-id_49246591,PC-id_75356903,STOCK7S-46043,MCULE-7573830351	294.351	KHXAJJZRCAZBLB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-032867
c1(C(=O)Nc2ccc3c([nH]cc3)c2)c2CCCCCc2n[nH]1	EMOLS-id_49247024,STOCK7S-46271,EMOLS-id_50402160,PC-id_75356772,MCULE-4519261045,ZINC22_96230905	294.351	QRUGXJWHRMFJGN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-032868
c1(C(=O)Nc2cccc3c2cc[nH]3)c2CCCCCc2[nH]n1	PC-id_75489530,EMOLS-id_49247214,ZINC22_96231021,EMOLS-id_50404220,STOCK7S-46373,MCULE-5502743183	294.351	WIPDBUNUOSZMGA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-032869
Cc1ccc2c(c1)[nH]cc2C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319460000	294.351	GEAMQMPBPMBYKM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-032870
Cc1ccc(cc1)/C(=C(C#N)/c1nnc2n1CCCCC2)/O	CoCoCo_3716168,PC-id_135485124	294.351	IPCDMDMHONMTDN-PEZBUJJGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032871
Cc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1	ZINC22_35426649,PC-id_51692074	294.351	MPQLZICOXRAJTI-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032872
Cc1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1	ZINC22_35426653,PC-id_51692075	294.351	MPQLZICOXRAJTI-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032873
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c([nH]1)cccc2	EMOLS-id_319478668	294.351	XBTLWYSQIGIZEJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-032874
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2n(c1)cccc2	EMOLS-id_320243209,MCULE-3254108871	294.351	PBWOFRFDLVYTMT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-032875
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)[nH]cc2	MCULE-7728385943,EMOLS-id_320090393	294.351	GVKVDEIGVWTLKO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-032876
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2c1cc[nH]2	MCULE-2543182370,EMOLS-id_320082402	294.351	FIGXTHDDXITJFX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-032877
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2c1[nH]cc2	EMOLS-id_318873103	294.351	IHUDNBIEOXLTLO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-032878
CCC1N(CCCn2c1ncc2)C(=O)c1ccc(cc1)C#N	EMOLS-id_97002561,MCULE-6853375876	294.351	BSPVAPGVALJPDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032879
C=NC1=C(N)CCCc2c1c(c[nH]2)C(=O)Nc1ccccc1	PC-id_142114810	294.351	RAUFFTRTDMAISZ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-032880
COc1cccc(c1)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3456335,PC-id_6260956	294.351	ULJJNGHAJICQBZ-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032881
COc1cccc(c1)C=C(c1nnc2n1CCCCC2)C#N	MCULE-6688022715,PC-id_5062273	294.351	ULJJNGHAJICQBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032882
COc1ccc(cc1)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_75409609,CoCoCo_3456316	294.351	QGWDXQOKZKWZQI-KAMYIIQDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032883
COc1cccc(c1)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_75460346,CoCoCo_3456336	294.351	ULJJNGHAJICQBZ-UVTDQMKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032884
COc1ccc(/C=C(C#N)/c2nnc3CCCCCn23)cc1	SPECS-id_AT-225/NB58531,CoCoCo_3456315,MS2_L150517,Chemmine_54502,EMOLS-id_207240211,PC-id_6264328	294.351	QGWDXQOKZKWZQI-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032885
N#Cc1ccc(cc1)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671337	294.351	WKJBBGPURLYRSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032886
N#Cc1ccc(cc1)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320073925,MCULE-5889460454	294.351	OXCFTKIXDIYOLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032887
N#Cc1ccc(cc1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_319317631	294.351	BAVOZQQUYVPFAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032888
N#Cc1cccc(c1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	MCULE-5318259186,EMOLS-id_320043465	294.351	SPHRYMWRRYRINI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032889
N#Cc1cccc(c1)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318422923	294.351	GEOBAXUTGUFVRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032890
N#Cc1ccc(cc1)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318676049	294.351	CJSVDLYDZUQSAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032891
N#Cc1c(N)c(C(=O)Nc2ccccc2)n2c1CCCCC2	CHEMBL4516693	294.351	OQZGUPFYDCZXMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-032892
N#CCc1cccc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670094	294.351	DDXUDOPHIYJNOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032893
N#CCc1ccc(cc1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674715	294.351	NZONCLIJUIPHES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032894
N#CCc1cccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319975667,MCULE-2384779490	294.351	ZEGCPHAOYQDLBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032895
N#CCc1ccc(cc1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318441210	294.351	JRRQDVAFMKAELS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032896
N#CCc1cccc(c1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318659715	294.351	XOVPXOBFZNAFPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032897
N#C/C(=C(/c1ccc(cc1)C)O)/c1nnc2n1CCCCC2	CoCoCo_3716169	294.351	IPCDMDMHONMTDN-JQIJEIRASA-N	00000000100000110101000000000010000000000000000000000000	31-01-032898
N#CC(=C(c1ccc(cc1)C)O)c1nnc2n1CCCCC2	MCULE-1221936746,EMOLS-id_44489143	294.351	IPCDMDMHONMTDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032899
N#C/C(=Cc1ccccc1OC)/c1nnc2n1CCCCC2	CoCoCo_3456351,PC-id_8275302	294.351	FDGJJEVZRPZBGM-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032900
N#C/C(=C/c1ccccc1OC)/c1nnc2n1CCCCC2	CoCoCo_3456352	294.351	FDGJJEVZRPZBGM-KAMYIIQDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032901
N#CC(=Cc1ccccc1OC)c1nnc2n1CCCCC2	EMOLS-id_26092869,MCULE-2343949041,PC-id_72084739	294.351	FDGJJEVZRPZBGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032902
N#C[C@H](/C=C
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N#C[C@@H](/C=C
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O=C(C1CCn2c(CC1)nnc2)NCC#Cc1ccccc1	EMOLS-id_319268579	294.351	XCUILRGPGUSNNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032905
O=C(/C(=C
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O=C(C(=C1N2CCCCCC2=NN1)C#N)c1ccc(cc1)C	PC-id_6787606	294.351	HGHSJXZQZPHICJ-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-032907
O=C(C(c1n2CCCCCc2nn1)C#N)c1ccc(cc1)C	PC-id_7689407	294.351	MPQLZICOXRAJTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-032908
O=C(C(/C=C
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S(c1n2CCCCCc2nn1)c1nc(ncc1F)NC	PC-id_80882679	294.351	RFPVRXZYZOJOCU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-032910
CC1OC(C)CN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102017041	294.353	WHBYCFDLVLBYOL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032911
CC1OCCN(C1C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165190	294.353	HUYHORDVXSHKQH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032912
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CCC1COCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163351	294.353	IPASPABEACQGCZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-032914
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c12CN(CCCn1nc(C#N)c2)C(C)CCc1ccccc1	MCULE-3510740121,EMOLS-id_222778007	294.394	YQROHYZZDWUZBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033013
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Cc1sc2c(n1)CCCCN2C(=O)c1snnc1C	EMOLS-id_318891724	294.396	KWIKWJPNNRVTDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033018
CC(C)C1c2nnnn2CCCCCC(=O)NCCCN1	PC-id_135034638	294.396	UFGKITNMGMLSMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033019
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CCOCCNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111895065	294.396	JQILUSBHZIUUED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033024
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CNC1C(=O)N(CCc2c1scn2)Cc1nccs1	SCHEMBL14172309,PC-id_23554661	294.396	HKTNXCDPDOTNCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033027
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COCCCNC(=NC)NCc1nnc2n1CCCCC2	PC-id_110975897	294.396	ZSPNQSRHWHXZTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033030
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COCCNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_110942478	294.396	KCEDZBDQVXBRMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033035
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CC1OCCCC1C(=O)N1CCCCc2c1sc(n2)C	MCULE-2871196111,EMOLS-id_320290054	294.412	NIVZBEUZODIZNA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033054
CC1OCCCC1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111521389	294.412	NAESDEMFPVGXJX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033055
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CC1SCCN(C1C)C(=O)c1noc2c1CCCCC2	EMOLS-id_102475449	294.412	ASWVYHHCVUJUEP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033057
CC1SCCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_102487385	294.412	RRFOYMWMRHBCEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033058
CCC1CCC(O1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319907001,MCULE-3470801402	294.412	APCZQZNZVFJCAG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033059
CCC1CCC(O1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111219455	294.412	WXHCZZZADQUPEW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033060
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O=C(Nc1nc2c(s1)CCCCC2)CCC1CCCO1	PC-id_51113824,MCULE-5213331881,EMOLS-id_31899076	294.412	WCGOVIPSDNQCMW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033112
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O=C(N(C)C)CCCC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_317950453	294.412	OPMAEUZWSZKNMR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033114
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s1c2c(CCCCC2)cc1C(=O)NC1[C@@H](OC)CNC1	PC-id_43593984	294.412	ZLGWXCMASQSHML-KIYNQFGBSA-N	00000010100000000100000000000010000000000000000000000000	31-01-033117
s1c2c(CCCCC2)cc1C(=O)NC1C(OC)CNC1	PC-id_74883302	294.412	ZLGWXCMASQSHML-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-033118
s1c2c(CCCCC2)cc1C(=O)N(C1C(O)CNC1)C	PC-id_74883956	294.412	SFDPPDIJPPPMKN-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-033119
s1c2CCCCCc2cc1C(=O)NC(C)C(=O)NCC	PC-id_51221408	294.412	HJWLEUFCLMZTPY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033120
s1c2CCCCCc2cc1C(=O)NCC(=O)NCCC	PC-id_9163167	294.412	KMGFDVWCFSWXSB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033121
s1c2c(CCCCC2)cc1C(=O)N([C@H]1[C@H](O)CNC1)C	PC-id_43595798	294.412	SFDPPDIJPPPMKN-VXGBXAGGSA-N	00000010100000000100000000000010000000000000000000000000	31-01-033122
s1c2CCCCCc2cc1C(=O)N[C@H](C)C(=O)NCC	PC-id_9470434	294.412	HJWLEUFCLMZTPY-SNVBAGLBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033123
s1c2CCCCCc2cc1C(=O)N[C@@H](C)C(=O)NCC	PC-id_9470436	294.412	HJWLEUFCLMZTPY-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-033124
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCC	PC-id_31845764	294.412	HUDVPCMYCPPWDS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033125
s1c2CCCCCc2cc1C(=O)NNC(=O)C(C)(C)C	PC-id_35822221	294.412	PLKFNCMLURNLKK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033126
s1c2CCCCCc2cc1C(=O)NNC(=O)CC(C)C	PC-id_43004223	294.412	KBIBUCIMDZWGHJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033127
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](CC)C	PC-id_30291027	294.412	PCPPLYASGVKPAM-SNVBAGLBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033128
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@H](CC)C	PC-id_30291029	294.412	PCPPLYASGVKPAM-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-033129
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s1c2c(CCCCC2)c(c1NC(=O)CCC)C(=O)NC	PC-id_7475108	294.412	DSBCHZGYQKZDPS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033131
s1c2c(CCCCC2)c(c1N)C(=O)NCC1OCCC1	PC-id_20109795	294.412	PESDVKODIZGAKE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-033132
s1c2c(CCCCC2)c(c1N)C(=O)NC[C@@H]1OCCC1	PC-id_26365491	294.412	PESDVKODIZGAKE-SNVBAGLBSA-N	00000010100000000100000000000010000000000000000000000000	31-01-033133
s1c2CCCCCCc2cc1C(=O)NCC(=O)NCC	PC-id_9224632	294.412	YSJUEZXUUMYEJL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033134
s1c2CCCCCCc2cc1C(=O)NCC(=O)N(C)C	PC-id_9480791	294.412	PEKBMJBSBOHEJV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033135
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(C)C	PC-id_25443741	294.412	OJAUVRQLXPFWJT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033136
s1c2c(CCCCCC2)c(c1NC(=O)CCC)C(=O)N	PC-id_4395893	294.412	VHPZDXKIAXNLMU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033137
s1c2c(CCCCCC2)c(c1NC(=O)C(C)C)C(=O)N	PC-id_4576326	294.412	RHDLDRVZPLCKMW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033138
s1c2c(CCCCCC2)c(C(=O)N2CCOCC2)c1N	PC-id_43367378	294.412	AJOVGYSIZKBQCZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033139
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CC1NCCN(C1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_303438964	294.416	ADZZBEURESMPCH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033141
CC1SCC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101710826	294.416	RJVONUVURZXPAP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033142
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NC1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_102860319	294.416	SHIGRHJTABIKNF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033145
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N[C@H]1CCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101825271	294.416	QBARQTQRWMTGJH-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-033147
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O=C(Nc1nc2c(s1)CCCCC2)N[C@H]1CCCNC1	EMOLS-id_101761381	294.416	IDGLQXPWGCFCLA-JTQLQIEISA-N	00000000100010000101000000000010000000000000000000000000	31-01-033158
O=C(Nc1nc2c(s1)CCCCC2)N[C@@H]1CCCNC1	EMOLS-id_101761411	294.416	IDGLQXPWGCFCLA-SNVBAGLBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033159
S1CCN(CC1)C(=O)CCc1nn2c(CNCCC2)c1	PC-id_70734173	294.416	PSCNMPNPZNBCDX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033160
S(c1n2CCCCCc2nn1)CC(=O)NC1CCCC1	PC-id_7877476	294.416	KDELBXYATPPOPT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033161
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c12N(CCCCc1cc(C(=O)NC(C)CC)s2)CCC	MCULE-7193304563,EMOLS-id_97031056	294.455	COXUMUCLLFNYOY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033190
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s1c2c(CCCCC2)cc1C(=O)NC(CC)(CC)CN	PC-id_63886990	294.455	HBQYAPONKHRKNV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033202
s1c2c(CCCCC2)cc1C(=O)NC(CC(C)C)CN	PC-id_63889519	294.455	QZBXQQPNWQRMSV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033203
s1c2CCCCCc2cc1C(=O)NC(CCCC)CN	PC-id_80696791	294.455	SLWXXBDMESEYQF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033204
s1c2CCCCCc2cc1C(=O)NCC(N)(CC)CC	PC-id_81483184	294.455	ANAZYKBALDSNTG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033205
s1c2c(CCCCCCCCCC2)c(c1N)C(=O)NC	PC-id_43174778	294.455	AWDKYAIZBNFCLU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033206
s1c2CCCCC(=NOCCCN(CC)CC)c2cc1	PC-id_567353	294.455	HBIYPLVWEZSWQV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033207
s1c2CCCC/C(=N/OCCCN(CC)CC)/c2cc1	PC-id_9602434	294.455	HBIYPLVWEZSWQV-ICFOKQHNSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033208
CC1(C)SCCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_102695451	294.459	JQZVYVZHMCPKJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033209
CC(C1CCSCC1)NCc1nnc2n1CCCCC2	EMOLS-id_318079881,MCULE-2305339828	294.459	ZJSYQFYSFJNUPN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033210
CCC(c1nnc2n1CCCCC2)NC1CSCC1C	EMOLS-id_318076217,MCULE-1330152409	294.459	QKNYVHSDFQCTTE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033211
CCC(c1nnc2n1CCCCC2)NC1CSC(C1)C	MCULE-2643782906,EMOLS-id_317981490	294.459	PDCRPDXYOPGYGS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033212
C=C(CNC(C)(C)C)CSc1nnc2n1CCCCC2	PC-id_103068267	294.459	WVVWEQZBGIWGFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033213
CNC(C1CCCC1)CSc1nnc2n1CCCCC2	PC-id_104755314	294.459	CFFJSLDBZOMJSO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033214
NC(C1CCCCC1)CSc1nnc2n1CCCCC2	PC-id_104755312	294.459	NKGAOTDIOGLYSK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033215
S1C(C(NC(c2n3CCCCCc3nn2)C)CCC1)C	PC-id_79957306	294.459	DMPOKWOZFYJEEJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033216
S(C1C(CCC(C1)C)CN)c1n2CCCCCc2nn1	PC-id_43530513	294.459	QQVMRCQNPPGEJJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033217
S(C1CC(CCC1N)(C)C)c1n2CCCCCc2nn1	PC-id_64649311	294.459	LWCVJXXYCKMLDB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033218
S(C1CC(CCC1N)CC)c1n2CCCCCc2nn1	PC-id_64649312	294.459	UQATWZRGMAHTCV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033219
S(C1C(CC(CC1N)C)C)c1n2CCCCCc2nn1	PC-id_64736958	294.459	SKTKMNFAFQGFQZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033220
S(C1C(CCCCC1)CN)c1n2CCCCCc2nn1	PC-id_43530514	294.459	MXEPDIDXFUWQOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033221
S(C1C(C(NCC)CC1)C)c1n2CCCCCc2nn1	PC-id_64904935	294.459	IYTFDTOFAUOUIM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033222
S(C1CC(NCC)CCC1)c1n2CCCCCc2nn1	PC-id_64715484	294.459	MMVXLJYPRAOJBF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033223
S(C1CC(NCCC)CC1)c1n2CCCCCc2nn1	PC-id_64724901	294.459	TUSOUJUVPSLNRM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033224
S(C1C(N)C(CCC1)(C)C)c1n2CCCCCc2nn1	PC-id_79848055	294.459	MDRZFWBKHUVCOM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033225
S(C1C(NC)C(CC1)(C)C)c1n2CCCCCc2nn1	PC-id_79862660	294.459	DVQLGZPXRIMAKK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033226
S(C1C(NC)CCC(C1)C)c1n2CCCCCc2nn1	PC-id_64648725	294.459	KOZSBOFHCRSLMT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033227
S(C1C(N)CCCCCC1)c1n2CCCCCc2nn1	PC-id_64649507	294.459	YEDSCEBWBUSOGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033228
S(C1C(NC)CCCCC1)c1n2CCCCCc2nn1	PC-id_64650096	294.459	GEEIQCZCVCKNAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033229
S(C1C(NCC)CCCC1)c1n2CCCCCc2nn1	PC-id_64650288	294.459	SJNQVOODJCYKBZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033230
S(C1C(NCCC)CCC1)c1n2CCCCCc2nn1	PC-id_64650679	294.459	JLVLMLMFRTXKAD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033231
S(CCC1C(NC)CCC1)c1n2CCCCCc2nn1	PC-id_79576672	294.459	OHDBUWVDQMUZLU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033232
S(CCCNC1CCCC1)c1n2CCCCCc2nn1	PC-id_62577930	294.459	RTNHKBWETGZPHD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033233
S(C(CNC1CCCC1)C)c1n2CCCCCc2nn1	PC-id_62577306	294.459	BMUMTKDFOLEAHP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033234
S(CCNC1CCCCC1)c1n2CCCCCc2nn1	PC-id_62576281	294.459	UONCPAKFGPHBBE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033235
S(CCNCC1CCCC1)c1n2CCCCCc2nn1	PC-id_62579434	294.459	LRHWQCKQQAGKSE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033236
S(CC(NCCC)C1CC1)c1n2CCCCCc2nn1	PC-id_64648330	294.459	IEUIJZPSFMMRLI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-033237
C/N=C
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S1CCC(CC1)CC(=O)c1sc2c(CCCCC2)c1	PC-id_83137112	294.475	CWRVRIIYSMLAJK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-033239
CCCCC(CC(c1cc2c(s1)CCCCC2)O)CC	PC-id_114981330	294.495	ZKJNQVARGCSJGE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033240
CCCCCCCCC(c1cc2c(s1)CCCCC2)O	PC-id_115784017	294.495	DYHUBGDHXDCJRW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033241
CC(CNC(C)(C)C)NCc1cc2c(s1)CCCCC2	PC-id_104397082	294.498	PYXHFZCFWZHVEF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033242
CC(CNCCCNCc1cc2c(s1)CCCCC2)C	PC-id_104424282	294.498	SJESCHAXNULZGF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033243
CC(CNCC(NCc1cc2c(s1)CCCCC2)C)C	PC-id_104397469	294.498	KGPBWUYUVCMTQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033244
CC(CNCCN(Cc1cc2c(s1)CCCCC2)C)C	PC-id_104414373	294.498	HGJOVUFAKRZXOC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033245
CC(NCCCNCc1cc2c(s1)CCCCC2)(C)C	PC-id_104423912	294.498	ZSOSGARIFHBTGH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033246
CCN(CCCNCc1cc2c(s1)CCCCC2)CC	PC-id_104433437	294.498	WFNQPAUWFDLJLE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033247
CCN(CC(NCc1cc2c(s1)CCCCC2)C)CC	PC-id_104406991	294.498	RITARKUGGCLJDU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033248
CCSCCCn1cc2c(c1)CCCCC2NCCC	PC-id_116099754	294.498	IAOAIQVOUSWDAO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033249
CN(Cc1cc2c(s1)CCCCC2)CCNC(C)(C)C	PC-id_104414120	294.498	QALGEYSLBFPMTB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033250
s1c2CCCCCCCCCCc2nc1NC(C)(C)C	PC-id_63471096	294.498	NRNJEOMBEAHUCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033251
CCCCCCCC(c1cc2c(s1)CCCCC2)NN	PC-id_113700332	294.499	VGCIFOCHWLVVTF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033252
CNCC(c1sc2c(n1)CCCCCCCCCC2)C	PC-id_104513333	294.499	QBOWOFCGICTPEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033253
NCC(c1sc2c(n1)CCCCCCCCCC2)(C)C	PC-id_103097138	294.499	XNACLDQVIPTCEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033254
NNC(c1cc2c(s1)CCCCC2)CC(CC(C)C)C	PC-id_114201906	294.499	ZGCSKQHWLPVOKQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033255
NNC(c1cc2c(s1)CCCCC2)CCCC(C)(C)C	PC-id_114211667	294.499	QCEYYPUKZJSWLC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033256
s1c2CCCCCCCCCCc2nc1CCCCN	PC-id_65719649	294.499	CZTKYMZVJHAHTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033257
s1c2CCCCCCCCCCc2nc1CC(N)CC	PC-id_63519439	294.499	FMUAEHAYHNEDJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033258
s1c2CCCCCCCCCCc2nc1CNCCC	PC-id_63518565	294.499	UKYACXGLWDACRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033259
s1c2CCCCCCCCCCc2nc1CNC(C)C	PC-id_63518912	294.499	LKSFZFRQEZSHQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033260
s1c2CCCCCCCCCCc2nc1C(N)CCC	PC-id_63523997	294.499	SUMKDYNHPSXWCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033261
s1c2CCCCCCCCCCc2nc1C(N)C(C)C	PC-id_63523999	294.499	IRFVIFKQAIIVRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033262
s1c2CCCCCCCCCCc2nc1C(N)(CC)C	PC-id_63526067	294.499	SVTOFTYDXXCKGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033263
s1c2CCCCCCCCCCc2nc1NCC(C)C	PC-id_63473390	294.499	IZBGGXRVNDKNJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033264
c12SC(C)(C)C(=O)C(C)Sc1sc(=S)s2	BAS-00733194,PC-id_560415,MCULE-7636161627,EMOLS-id_1268528	294.5	NTVUHVCAQLEBKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033265
C[C@@H]1Sc2sc(=S)sc2SC(C)(C)C1=O	CoCoCo_126053,ZINC22_4076304,PC-id_7092058	294.5	NTVUHVCAQLEBKM-BYPYZUCNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033266
C[C@H]1Sc2sc(=S)sc2SC(C)(C)C1=O	PC-id_7092057,ZINC22_4076303,CoCoCo_126052	294.5	NTVUHVCAQLEBKM-SCSAIBSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033267
c12SC/C(=NN(C)C)/CSc1sc(=S)s2	MCULE-7161955824,ZINC22_5509079,TIMTEC83325,PC-id_4098902	294.503	BQMKBYXKXCHFNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033268
N#Cc1c2-c(n(c1=O)Cc1ccc(cc1)Cl)ccccc2	SCHEMBL9248940	294.735	DKBVDTULVATPQH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-033269
ClCCNC(=O)NCCn1c2-c(nc1=O)ccccc2	SCHEMBL11701914,PC-id_21483642	294.737	ZTQXXQBUZXCQQC-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-033270
O=C(c1noc2c1CCCCC2)Nc1cnn(c1Cl)C	MCULE-7552650283,EMOLS-id_257982419	294.737	GLLTVFGTSRBLPX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033271
O=C(N1CCCc2c(C1)cco2)Nc1cnn(c1Cl)C	EMOLS-id_279113694	294.737	YRKVCEJCEAWWTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033272
CC(c1cccc(c1F)Cl)N1CCCn2c(C1)cnn2	MCULE-4813405913,EMOLS-id_313178693	294.755	GZWMKCVTWHUAEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033273
C[C@H](c1cccc(Cl)c1F)N1CCCn2nncc2C1	ZINC22_886462866	294.755	GZWMKCVTWHUAEC-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033274
Clc1ccc(c(c1)F)NCc1nnc2n1CCCCC2	MCULE-4525152356,EMOLS-id_318311213	294.755	UUOFMWYRTQTMNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033275
Clc1c(cccc1F)NCc1nnc2n1CCCCC2	MCULE-4540902061,EMOLS-id_318253547	294.755	CQBMOWKZKFULFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033276
Clc1ccc(c(c1)NCc1nnc2n1CCCCC2)F	EMOLS-id_318250251,MCULE-3366751513	294.755	BCEOOOHOKASQBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033277
Fc1c(cccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318030991,MCULE-6189487919	294.755	LSARTLCIGUNVKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033278
Fc1ccc(c(c1)Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318116180,MCULE-9690841065	294.755	PBSSUIYRONARHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033279
Fc1cc(ccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318118227,MCULE-1947268932	294.755	WHOJJWRYWLTJIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033280
Fc1ccc(c(c1)NCc1nnc2n1CCCCC2)Cl	EMOLS-id_318192323,MCULE-8422928031	294.755	CFMGTPGJMXSUDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033281
Fc1cccc(c1NCc1nnc2n1CCCCC2)Cl	MCULE-7613602357,EMOLS-id_318286447	294.755	MVAJAETZELOOSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033282
Fc1ccc(NCc2nc3n(n2)CCCCC3)cc1Cl	PC-id_16458799,CoCoCo_6602098,ZINC22_28527887,MCULE-4552278717	294.755	VUJQZGOBXORIHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033283
Fc1ccc(NCc2nnc3CCCCCn23)cc1Cl	CHEMBL1365923,ZINC22_4518201,SCHEMBL17792898,CoCoCo_2580284,PC-id_7267326,MCULE-3997137331,EMOLS-id_2701542	294.755	GOIWQUGQRRSDIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033284
Fc1cc(NCc2nnc3n2CCCCC3)cc(c1)Cl	EMOLS-id_318011401,MCULE-9857082953	294.755	RXEXTBBAJDGCGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033285
Clc1ccc(CNCCc2nnc3n2CCCCC3)o1	PC-id_72045090,MCULE-3859163704,EMOLS-id_42961232,ZINC22_67698127	294.78	NSNKBRFEODTCJB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-033286
Clc1oc(CNC(c2n3CCCCCc3nn2)C)cc1	PC-id_60781096	294.78	IIWDTUSOXQEQRP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-033287
Clc1cnn(c1CNCc1nnc2n1CCCCC2)C	MCULE-1172629144,EMOLS-id_318230492	294.783	NXSNRDNFHUCULT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033288
Clc1ccc(OCc2sc3CCCCNc3n2)cc1	PC-id_28908498	294.8	QRLYRRIPNLKBGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033289
Clc1cnn(c1C(=O)c1cc2c(s1)CCCCC2)C	PC-id_115809303	294.8	FJKVJDNAWQKHBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033290
Clc1ccc(c(c1)Sc1nnc2n1CCCCC2)N	PC-id_115469508	294.803	XEZZYFIXSRQNJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033291
Clc1cc(ncc1)CSc1n2CCCCCc2nn1	PC-id_79245376	294.803	BCCFLHJDISAJFY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033292
Clc1cc(N)c(Sc2n3CCCCCc3nn2)cc1	PC-id_28401610	294.803	WMMRGZCNBZAXOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033293
Clc1c(Sc2n3CCCCCc3nn2)ccc(N)c1	PC-id_28401611	294.803	JPAJGSPMTZFLLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033294
Clc1c(Sc2n3CCCCCc3nn2)c(N)ccc1	PC-id_28401613	294.803	AUUSVMUUPBUHRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033295
Clc1ncccc1CSc1n2CCCCCc2nn1	PC-id_62464645	294.803	ZCEHCYSZNOQJAD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033296
Clc1nccc(CSc2n3CCCCCc3nn2)c1	PC-id_62298387	294.803	CAZFHTMRAXWRFW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033297
Clc1ncc(c(Sc2n3CCCCCc3nn2)c1)C	PC-id_83269540	294.803	FYEDNNCUMFLZQT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033298
Clc1ncc(CSc2n3CCCCCc3nn2)cc1	PC-id_28401507	294.803	KIUITUGARWJMOR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033299
Clc1nc(CSc2n3CCCCCc3nn2)ccc1	PC-id_79037531	294.803	DJBDKAXPLXGEPA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033300
Nc1c(Cl)cccc1Sc1nnc2n1CCCCC2	PC-id_104835551	294.803	WCTKWWQNCRKUFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033301
ClC(c1sc2c(CCCCC2)c1)c1ccc(F)cc1	PC-id_63428922	294.815	SEQHNHWGDRADSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-033302
Clc1sc(Cn2cc3C(NC)CCCCc3c2)cc1	PC-id_83208069	294.843	IRHQMZFOMWDZMT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-033303
C1C(C(=O)Nn2c(cc(n2)Br)N1)CC(F)F	PC-id_137287923,SCHEMBL20525124	295.084	PAPOKPDMMVPKMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033304
Brc1cc2-c(c(cc2C(=O)O)C(=O)O)ccc1	PC-id_85915713	295.086	HSMWPHRQSKSTFQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033305
CC1=NN2CCCCC(C2=N1)OC3=CC(=CC(=C3)Cl)F	PC-id_153606608	295.089	VWBOGXKWUFCABI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033306
PPP(n1nnc2c1C(=O)N(C)CCN2)P	SCHEMBL9881464,PC-id_23592165	295.095	YPDBCZLFRCFCLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033307
CCOC(=O)c1c2-c(c(c1O)Br)ccccc2	PC-id_102414216	295.129	JQOPRSARSBGWIF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033308
C1C=CC=CC=CC(=CC=CN=CC2=CC=CN21)NC(=O)O	PC-id_149254061	295.132	MUSOFKWOKUJIRA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033309
C1C=CC=CC=CC(=CC=CN=CC2=CC=CN21)OC(=O)N	PC-id_154036557	295.132	CECDUZUZZJXWDL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033310
C1CN(CCc2c1nc(s2)N)I	SCHEMBL15043844,PC-id_89639663	295.144	WVJLQXPYNCLQPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033311
C/C(=C(c1c(Cl)c2-c(c1Cl)ccccc2)/C(=O)C)/O	PC-id_101439655	295.161	RRBQOMGFUSUHSR-XYOKQWHBSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033312
CCOC(=O)C1=C(SC2=C1CCCCC(CC2)(C)C)N	PC-id_149313888	295.161	XZDDZGKJCJKISJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033313
BrCC(=O)c1c(C)nc2n1/C=CC=CCCC2	PC-id_143764485	295.175	JLPRLOGJTYTPJH-VXZUYELYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033314
CC(C1=NN2CC(=O)N(CCC2=C1)CCN3CC(C3)F)N	PC-id_153397844	295.181	MCLYVGORDBICSI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-033315
Clc1n(nc2c1CCCCC2)Cc1c(Cl)cccc1	PC-id_66016693	295.207	FNDFDBXTRJGTCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033316
Clc1n(nc2CCCCCc12)Cc1ccc(Cl)cc1	PC-id_66016491	295.207	SAUXYQNVFBHUJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033317
Clc1n(nc2CCCCCc12)Cc1cc(Cl)ccc1	PC-id_66014902	295.207	XEQUHUIKBBOSGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033318
OC(=O)N1CCOc2c(C1)scc2C(C(F)(F)F)C	SCHEMBL9902312,PC-id_67958952	295.278	DROGKPVMNLCKSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033319
c12N=C(O)CSC(C(F)(F)F)c1c(nn2C(C)C)O	STOCK7S-32263,EMOLS-id_93423711,EMOLS-id_44208146,EMOLS-id_44237429,MCULE-9392128115,PC-id_60175832	295.281	DIPZJWNKNDMGMI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033320
CC(C)n1nc(O)c2c1N=C(O)CS[C@@H]2C(F)(F)F	PC-id_96557307,ZINC22_79480624	295.281	DIPZJWNKNDMGMI-ZETCQYMHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033321
CC(C)n1nc(O)c2c1N=C(O)CS[C@H]2C(F)(F)F	ZINC22_79480620,PC-id_96557306	295.281	DIPZJWNKNDMGMI-SSDOTTSWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033322
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc(c1)C(F)F	MCULE-5059502787,EMOLS-id_320167127	295.285	AICLFOKSCMVJFM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-033323
N#CC1CC(CN1C(=O)c1noc2c1CCCCC2)(F)F	EMOLS-id_319730899	295.285	UZUAPTQPHUKKKN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033324
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnn1C(F)F	EMOLS-id_320008990,MCULE-3023244156	295.288	QPRKXKGUFLLUMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033325
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1)C(F)F	EMOLS-id_318958097	295.288	ZXTIQGOXLYCLJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033326
FC(n1ncc(c1)NC(=O)c1cnc2n1CCCCC2)F	EMOLS-id_318662590	295.288	UWMLIDYUDYEUHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033327
C1CC1NC(=O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965756,PC-id_89580152	295.294	BORVGAXQWRLADB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-033328
OC1c2ncn(CCCC(=O)NCC(=O)O)c2NC=NC1	SCHEMBL6615260,PC-id_19688455	295.294	INQAKSSKVAUDEB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033329
NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1noc2c1CCCCC2	ZINC22_286843981,PC-id_120965491,MCULE-3559805518,EMOLS-id_72963361	295.309	MSEWSBBLNAOBFU-SCZZXKLOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033330
COC(=O)C(C1C=CC=Cc2c1[nH]c(=O)s2)C(=O)OC	PC-id_122228248	295.311	CLXSHQRMQFYGTO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033331
COC(=O)C(C(=O)OC)C1C=Cc2c(C=C1)sc(=O)[nH]2	PC-id_101477880	295.311	TVCYUNMWNZSCAA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033332
FCC1NC(=O)N(C1=O)CCc1nnc2n1CCCCC2	EMOLS-id_99021164	295.313	XYMDKTRYEAHRML-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033333
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)N1CCNC1=O	PC-id_90625579	295.318	YRMBPAWBRDXMEC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033334
CC1CN(Cc2cn(nc2C(F)F)C)Cc2c(C1)[nH]nc2	EMOLS-id_318815290	295.331	XOFSVAALMQIXDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033335
FC(Cn1ccnc1CN1CC(C)Cc2c(C1)cn[nH]2)F	EMOLS-id_319190101	295.331	QPMMVJVLBFYYSX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033336
o1c2CCN(CCc2cc1CC(=O)O)C(=O)OC(C)(C)C	PC-id_84815471	295.331	XOZQENXRRWEKPK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033337
O=S1(=O)CCc2nnc(Cc3ccccc3F)n2CC1	EMOLS-id_313165890,MCULE-8607535800,ZINC22_630950714	295.333	FLQQZAAGGXOGNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033338
CC(C)(C)OC(=O)N1CCCCn2nc(cc2C1)C(=O)O	ZINC22_2325880046,EMOLS-id_337886973	295.334	RWUNZZQNRYHOFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033339
CC(C)(C)OC(=O)N1CC(CC(=O)O)Cn2nccc2C1	EMOLS-id_50578990	295.334	WIMPKCPXSBRFQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033340
CCOC(=O)CCC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_103484729	295.334	ZBWFGOABLSRURN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033341
COC(=O)c1ncc2CCN(CCn12)C(=O)OC(C)(C)C	MCULE-3188102166,PC-id_121229884,EMOLS-id_50368838	295.334	HOTGFAXIBYLRBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033342
COC(=O)CCCCn1ncc2c1CCN(CC2)C(=O)O	PC-id_141114065	295.334	PDHVJNRACLOOCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033343
COC(=O)C(NC(=O)c1cnc2n1CCCCC2)(CO)C	MCULE-8098867143,EMOLS-id_258097419	295.334	BXAKDNVBTKKUHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033344
o1nc2n(C(CCCC2)CC(=C)CC(N)C(=O)OC)c1=O	PC-id_59974989	295.334	BVFMPCPPIVXUOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033345
O=C(N1CCCn2c(C1)c(nc2C)C(=O)O)OC(C)(C)C	PC-id_145538517	295.334	JJVOAJISBFVDHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033346
c1(C(=O)Nc2ccc3c(cc[nH]3)c2)c2CCCCCc2on1	STOCK6S-91702,MCULE-9909398097,EMOLS-id_29927993,ZINC22_36359929,PC-id_45494239	295.336	JKQZUOORBOWZCU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-033347
c1(C(=O)Nc2ccc3c([nH]cc3)c2)c2CCCCCc2on1	EMOLS-id_29928337,ZINC22_36360118,PC-id_45494395,MCULE-9669126660,STOCK6S-91952	295.336	HUHHJSOFOPRMGI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-033348
Cc1cn2c(n1)cc(cc2)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_318963949	295.336	YRHIODPMPRAAGA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033349
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc2c1cccc2	MCULE-7204812870,EMOLS-id_320118854	295.336	XPGWZAQAOLAWOK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033350
COC1CN(Cc2cccn2C1)C(=O)c1cccc(c1)C#N	EMOLS-id_313748915	295.336	ZLXJYUBEQSWPFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033351
CO[C@@H]1CN(C(=O)c2cccc(C#N)c2)Cc2cccn2C1	ZINC22_585095591	295.336	ZLXJYUBEQSWPFM-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033352
CO[C@H]1CN(C(=O)c2cccc(C#N)c2)Cc2cccn2C1	ZINC22_585095592	295.336	ZLXJYUBEQSWPFM-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033353
N#Cc1ccc(cc1)NCC(=O)N1CCCc2c(C1)cco2	MCULE-9124290893,EMOLS-id_318778122	295.336	PZHAGOBVXNYWDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-033354
O=c1c2n(nc(c2cccc1)C)CNc1ccc(OC)cc1	PC-id_9994649	295.336	LTALHQWKDJPZJQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-033355
O(c1c(C(C)C)cc2-c(c(c(N)c2C#N)C#N)cc1OC)C	PC-id_626464	295.336	TWNYATQVJIVWPD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033356
O=C(c1cccc2c1ncn2C)N1CCCc2c(C1)cco2	EMOLS-id_319349896	295.336	CXAIBLATMUKKKI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033357
N#C/C(=NOS(=O)(=O)C)/c1nc2=CCC=CC=c2s1	PC-id_144902327	295.337	BIPXIRWGHKCKJX-NTEUORMPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033358
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)CC(=O)O	EMOLS-id_44431177,ZINC22_82099752,PC-id_70726712,MCULE-5413130984	295.338	GJIMYBYRVHIFBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033359
CCN([C@@H]1COC[C@H]1O)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_319503148	295.338	UBLTUUBYQIRRAG-FHZGLPGMSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033360
CCNC(=O)CNC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_86921875	295.338	NETHDAKJAWQITM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033361
CN(C)C(=O)COCC1CN(Cc2nccn2C1)C(=O)N	EMOLS-id_46160463	295.338	URPNBERIFVIMNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033362
CN(C)C(=O)COC[C@H]1CN(C(=O)N)Cc2nccn2C1	PC-id_97389181,ZINC22_96066846	295.338	URPNBERIFVIMNX-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033363
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nc2n(c1)cccc2	EMOLS-id_319015363	295.339	YAGMDBJQOAKNMR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033385
CN(C)C(=O)COC[C@@H]1CN(C(=O)N)Cc2nccn2C1	PC-id_97389182,ZINC22_96066847	295.338	URPNBERIFVIMNX-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-033364
O1C(CCC1C(=O)NN)Cn1nc2n(CCCCC2)c1=O	PC-id_63579045	295.338	GZCFEQGCIYDIMT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033365
O1CCN(CC2CCNCC2)CCn2c1nc([N+](=O)[O-])c2	PC-id_71570444,SCHEMBL14965376	295.338	FRASSZVZVYKFEK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033366
O=C(N1CCCn2c(C1)cc(n2)N)NOCC1COCC1	MCULE-6915029217,EMOLS-id_319977200	295.338	KFDDSGJADVRODL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033367
O=C(NC(c1n2CCCCCc2nn1)C)C(N)CC(=O)O	PC-id_64896287	295.338	IMIFCLRVRMUFCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033368
c12CN(CCCn1nc(C#N)c2)C(=O)Cc1c(cccn1)C	EMOLS-id_177466734,ZINC22_584898297,MCULE-6694581457	295.339	SWUBVSQXNRUKKE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033369
c12CN(CCCn1nc(C#N)c2)C(=O)CCc1cccnc1	EMOLS-id_222759191,MCULE-5743236519,ZINC22_670441958	295.339	AMAJUOMNHCGOBV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033370
c1(ccc2n(ccn2)c1)C(=O)N1CCCn2nc(C)cc2C1	EMOLS-id_44731454,PC-id_70759379,MCULE-8958130559,ZINC22_91757318	295.339	NWNFHANDPWOLMJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033371
c1(C(=O)Nc2ccc3c([nH]cn3)c2)c2CCCCCc2[nH]n1	EMOLS-id_323248317,MCULE-1342717786	295.339	MOJWBMWXCXLSMZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033372
Cc1cn2c(n1)cc(cc2)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_316655056	295.339	ZZTABEUVZVUDBX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033373
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)cn[nH]2	EMOLS-id_318885817	295.339	TXQHULJRMGIKHM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033374
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(n1)cc[nH]2	EMOLS-id_319630422	295.339	FKPTUAMYVZFUJZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033375
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2n1nccc2	EMOLS-id_320009005,MCULE-4979939921	295.339	LWVVKXBYEZHHFF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033376
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2n(c1)cnc2	EMOLS-id_319145994	295.339	XXUWCGFIGOJASE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033377
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2n1ccn2	EMOLS-id_318840206	295.339	AICDGTNHAZVYCD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033378
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccn2c1ccn2	EMOLS-id_318802317	295.339	KGTJRBLBULSONM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033379
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn2c(c1)cnc2	EMOLS-id_319829886,MCULE-1976001321	295.339	NAPVPXLZTKBTOV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033380
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn2c(c1)ncc2	EMOLS-id_320101644,MCULE-7776212667	295.339	OZRAXLKLXAMURE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033381
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc2c1cc[nH]2	EMOLS-id_318926009	295.339	VZQMKKHCDUUYSD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033382
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc2c(c1)[nH]cc2	EMOLS-id_318858945	295.339	HFKBFGSLPFXKSM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033383
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn2c1cccc2	EMOLS-id_319266410	295.339	ITYJPQUMAWDIRP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033384
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncc2n1cccc2	EMOLS-id_320271892,MCULE-5052175985	295.339	LFHGBRWJZCIXLQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033386
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncn2c(c1)ccc2	MCULE-6957584755,EMOLS-id_319888026	295.339	BGVOPOGGRSGUDI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033387
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1n[nH]c2c1cccc2	EMOLS-id_319841120	295.339	IXFCAGLZULECRR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033388
Cn1ncc2c1CCCN(C(=O)c1cc3cccn3cn1)C2	MCULE-2446145768,PC-id_136565389,EMOLS-id_316944570,ZINC22_822605693	295.339	WZLHNHQXHMELPQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033389
Cn1ncc2c1CCCN(C(=O)c1n[nH]c3ccccc13)C2	ZINC22_334012190,MCULE-2126476851,EMOLS-id_101669170	295.339	WBBQNLTWJKNYFR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033390
N#Cc1cccc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101847118	295.339	UWOHHICZIHZXRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033391
N#Cc1ccc(cc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101847169	295.339	AQEOQBVEGCGCRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033392
N#Cc1ccc(cn1)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319979932,MCULE-4326088497	295.339	KXTOEXPBTZLQEI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033393
N#Cc1cnc(c(c1)C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318873001	295.339	FKEHFTQFYGXELK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033394
N#Cc1cncc(c1)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318786153	295.339	IEQPDMWZVOVQAR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033395
N#Cc1cncc(c1)CNC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319304343	295.339	HDGOQGPJYHKLIB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033396
N#Cc1nccc(c1)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318560125	295.339	ZSFKONBFOLSDDB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033397
N#Cc1nccc(c1)CNC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_318815997	295.339	OVTKVUCDIGIFMC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033398
N#CCN(C(=O)c1cnc2n1CCCCC2)c1ccccn1	EMOLS-id_257978486,MCULE-1046608709	295.339	XVBBHQBDQPUSKW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033399
O=c1nc2-c(n1Cc1nnc3n1CCCCC3)ccccc2	MCULE-9652740501,EMOLS-id_320034193	295.339	DCHOCAMFXNREET-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-033400
O=C(c1c2c(CCCCC2)[nH]n1)Nc1cc2c(c[nH]n2)cc1	EMOLS-id_335019118,MCULE-4247033851	295.339	QFCKACMJPNVKNA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033401
O=C(c1ccc2c(c1)nc[nH]2)N1CCCc2c(C1)cnn2C	EMOLS-id_101668230	295.339	QHJWOJZJQVTMAQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033402
O=C(c1ccc2n(c1)ccn2)N1CCCc2c(C1)cnn2C	EMOLS-id_101671397	295.339	QSAHFVMLPCVBLW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033403
O=C(c1ccc2n(c1)cnc2)N1CCCc2c(C1)cnn2C	EMOLS-id_101678231	295.339	BALIEYCCQGGACS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033404
O=C(c1cccc2c1cn[nH]2)N1CCCc2c(C1)cnn2C	EMOLS-id_101846473	295.339	KNGLNUDKTLKFTK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033405
O=C(c1cccc2c1ncn2C)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318904095	295.339	ZVFBDCXTMCEFLS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033406
O=C(c1cccc2c1nc[nH]2)N1CCCc2c(C1)cnn2C	EMOLS-id_101674661	295.339	RJMNJFCSXTVKOD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033407
O=C(c1cccc2c1[nH]nc2)N1CCCc2c(C1)cnn2C	EMOLS-id_101669308	295.339	UWIQUULVUWKAGK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033408
O=C(C1CCn2c(CC1)nnc2)Nc1ccc2c(c1)[nH]cc2	EMOLS-id_316663893	295.339	QHNHZXIQMPWVQL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-033409
O=C(c1cnc2c(c1)cc[nH]2)N1CCCc2c(C1)cnn2C	EMOLS-id_101845192	295.339	BKZRGKPHKNIYSG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033410
O=C(c1cnc2n1CCCCC2)Nc1cccn2c1ccn2	EMOLS-id_319271703	295.339	ZZWYVIHZHXZUOK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033411
O=C(c1cnc2n1CCCCC2)Nc1ncc2n1cccc2	MCULE-2764388893,EMOLS-id_320094775	295.339	SNZAJDWBEZPGAC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033412
O=C(c1c[nH]c2c1cccn2)N1CCCc2c(C1)cnn2C	EMOLS-id_101670154	295.339	QSFFIHZOVIXTND-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033413
O=C(c1cnn2c1cccc2)N1CCCc2c(C1)cnn2C	EMOLS-id_101671439	295.339	KDMUCMBBVHIWJY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033414
O=C(c1nc2n(c1)cccc2)N1CCCc2c(C1)cnn2C	EMOLS-id_101847814	295.339	YOXIFYYRGRQSSD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033415
O=C(c1n[nH]c2c1CCCCC2)Nc1cccn2c1ccn2	EMOLS-id_318944750	295.339	QHJRIWPDMRSGEF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033416
O=C(c1n[nH]c2c1CCCCC2)Nc1ncc2n1cccc2	EMOLS-id_318983705	295.339	PPGILKJJBCMDBM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033417
O=C(N1CCCn2c(C1)cnc2)c1nc2n(c1)cccc2C	PC-id_56913734	295.339	OCPJUZRKHXLZAZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033418
O=C(Nc1cc2cc[nH]c2cn1)c1cnc2n1CCCCC2	EMOLS-id_316954115,ZINC22_622128061,MCULE-4534217427	295.339	PAJDZEPLNOZGRK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033419
O=C(Nc1c[nH]c2-c(ccn2)c1)c1n[nH]c2c1CCCCC2	ZINC22_1651646132	295.339	ISRQDHSUVXJAMW-UHFFFAOYSA-N	00000010100010100101000001000010000000000000000000000000	31-01-033420
O=C(NCc1n2CCCCCc2nn1)c1ccc(cc1)C#N	PC-id_51324026	295.339	AQASYTGGTFOLHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033421
S(c1n2CCCCCc2nn1)c1nc(ncc1F)NN	PC-id_80930376	295.339	FPZURGNSGZBZBG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-033422
c1ccc(c2nnn(Cc3nnc4n3CCCCC4)n2)cc1	PC-id_706632,MCULE-7780976267,EMOLS-id_2703937,CoCoCo_4477269,ZINC22_93104	295.342	RXTPFNWMSBYWMQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-033423
CCNC(=O)C(=O)c1sc2c(c1C(=O)O)CCCCC2	SCHEMBL4140542,PC-id_68928613	295.354	UEVOTGHBMIHREU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033424
CN(C)c1ccc(cc1)C#Cc1cc2=CC(CCN=c2[nH]1)F	SCHEMBL20005042,PC-id_134376311	295.354	DJTBHTJKSANELZ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-033425
OC(=O)C1(CCCO1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_320199702,MCULE-9476524078	295.354	QKRIBPRQMJVNOM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-033426
OC(=O)c1c(NC(=O)OCC=C)sc2CCCCCc12	EMOLS-id_331231546	295.354	KQOPKZTXCZCGFW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033427
s1c2CCCC(=O)N(c2cc1)CC(=O)CC(=O)OCC	PC-id_63897026	295.354	WAUUEGNHIWQEJV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033428
s1c2c(N(CC3OC(CC3)C(=O)O)C(=O)CCC2)cc1	PC-id_63749324	295.354	UCPXTJQTXSJMRH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-033429
S(c1c2c([nH]c1C(=O)OCC)C(=O)CCCC2=O)CC	PC-id_72546728	295.354	ZNRMNAORXWUFKO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033430
CN(C)Cc1nnc2CN(CCCn12)C(=O)C1(F)CCC1	EMOLS-id_313732566,ZINC22_1565544755	295.356	QFQMGXVNEIQNTB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-033431
O=C1CCCS(=O)(=O)c2c1cc(s2)S(=O)(=O)N	SCHEMBL10513725,PC-id_13911627	295.356	PHNCNJFOYLWJGR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033432
O=C(N1CCC(C1)(C)F)NCc1nnc2n1CCCCC2	EMOLS-id_102297293	295.356	RSUJAHWOYHJWKZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033433
S(Cc1c2-c(c([N+](=O)[O-])c1)ccccc2)c1ccccc1	PC-id_678884	295.356	FHNRUCLCUQCNMY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-033434
c12C(=O)NCCCc1nc(NC(=O)C1CCOCC1)s2	PC-id_72720015,ZINC22_211130674,EMOLS-id_50139247,MCULE-3275181744	295.357	PVHOYSQDCXEKKP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033435
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(o1)C	EMOLS-id_319560065	295.357	IAVQYPSAKSLZGW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-033436
Cc1nn(c(c1)S(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_319546267	295.357	MJPJGNSIRLPWDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033437
CNCOCCCSC1=CC(=O)Cc2c(C1=O)cn[nH]2	PC-id_144380283	295.357	NFNANUPNZOULDI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033438
NC(=O)c1nc2CCN(CCc2s1)C(=O)C1CC(O)C1	EMOLS-id_313792822,ZINC22_1565554987	295.357	MWGKHKINAPIQAT-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-033439
O=c1nc2-c(n1CCCS(=O)(=O)N(C)C)ccccc2	MCULE-8283644916,EMOLS-id_320123045	295.357	FPFJVGQFRQDIGF-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-033440
O=C(OC(C)(C)C)NCC1=COC=Cc2c1nc(s2)N	PC-id_139939903	295.357	ILSKOKGTHWEPEB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033441
c1ccc(c(c1)C[N@H+]1CCn2c(CC1)nnc2)c1ccco1	GD-id_ZINC12125723	295.359	NHSJXQAERCFILU-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-033442
CC(=O)c1cccc2-c(c1)nc(n2)SCc1ccccn1	PC-id_139631111	295.359	WZQGSHYYRLGUCZ-UHFFFAOYSA-N	00000010100000101111000000000010000000000000000000000000	31-01-033443
O=C(c1c(N)nc2-c1ccccc2)Sc1ccccc1N	PC-id_101455494	295.359	ZHDYISYNGFCRLK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-033444
CC1(C)Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ncc[nH]1	MCULE-7163763997,EMOLS-id_316444499	295.361	NTUWZPUHFQIWGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033445
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1nc[nH]c1C	EMOLS-id_320102608,MCULE-1480541392	295.361	SXJRDZJUDPJQJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033446
CS(=O)(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	PC-id_97389398,ZINC22_96067075	295.361	OOGFIQBVMRHPCK-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-033447
CS(=O)(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1	ZINC22_96067074,PC-id_97389397	295.361	OOGFIQBVMRHPCK-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033448
CS(=O)(=O)N1CCc2ncc(Cn3cccn3)n2CC1	EMOLS-id_44328877,ZINC22_96196973,PC-id_97467117	295.361	RRTDUJZVRLPYOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033449
CS(=O)(=O)N1CCCn2c(C1)c(nc2)Cn1cccn1	PC-id_97413599	295.361	WFPJQKCXFLTLLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033450
CS(=O)(=O)N1CCCn2c(C1)c(nn2)Cn1cccc1	PC-id_97410158	295.361	MRCBRNHOGSXEPP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-033451
CS(=O)(=O)N1CC(Cn2cccn2)Cn2ccnc2C1	EMOLS-id_46160701	295.361	OOGFIQBVMRHPCK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033452
O/C(=CSc1nnc2n1CCCCC2)/N1CCNC1=O	CoCoCo_3081605,CoCoCo_3081608	295.361	RCWVCKCXPZYNSN-NTMALXAHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033453
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O=C(N1CCNC1=O)CSc1nnc2n1CCCCC2	CoCoCo_3081604,MCULE-2770741414,EMOLS-id_49982037,PC-id_7876842	295.361	WGUSPBGYCPBNCI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033455
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COCCOCCOCCn1cc2c(c1)CCCCC2=O	PC-id_104565340	295.374	IIIXXKSGHNSTSC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033458
OC(CN1CCCc2c(C1)cco2)COC1CCOCC1	MCULE-5451735212,EMOLS-id_316191759	295.374	SGGOKTZWJZEOGX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-033459
O[C@H](COC1CCOCC1)CN1CCCc2occc2C1	ZINC22_377526228	295.374	SGGOKTZWJZEOGX-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-033460
O[C@@H](COC1CCOCC1)CN1CCCc2occc2C1	ZINC22_377526231	295.374	SGGOKTZWJZEOGX-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-033461
CC(C)(C)OC(=O)N1CCCCc2nn(c(c2C1)OC)C	PC-id_136589840,EMOLS-id_316185459	295.377	RGBKXHYOYRJKTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033462
CC(C)(C)OC(=O)NC1CCCCc2c1cnn2CCO	MCULE-2935828107,EMOLS-id_324020122	295.377	OIJHDAAGUKSNOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033463
CCn1c2c(CCCOCCCNC2=O)c(n1)CCCO	SCHEMBL20280295,PC-id_135134047	295.377	LTVMNARJCBUFFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033464
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COCCN(CCOC)C(=O)c1n[nH]c2CCCCCc12	EMOLS-id_323254199,MCULE-2132327852	295.377	NPSTWTHWOXAYFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033466
N(c1cc2-c(c1)ccccc2)(c1ccccc1)c1ccccc1	PC-id_11358379	295.377	QCOKZQMPVHTEOI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-033467
O1C(OCCCn2nc3n(CCCCC3)c2=O)CCCC1	SCHEMBL9378623,PC-id_19746027	295.377	DFTYJDJSSNLUHW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033468
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCc2c1cccc2	EMOLS-id_320242640,MCULE-8114260520	295.379	DEURRVNNFUZLMN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-033471
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)C1CC1	EMOLS-id_319009273	295.379	JTKFNJIIBQBZCG-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-033473
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C=CC(C(=O)N1CCCc2c(C1)cnn2C)c1ccccc1	EMOLS-id_319182540	295.379	XKAVZDHGAGGSMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033475
CCOc1cccc(c1)N=C1CCC=CCc2n[nH]c(c12)C	PC-id_136658570	295.379	LMJXOXXOWBIYTH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-033476
NC(=O)C(n1ncc2c1C=CC(CC2)C)Cc1ccccc1	SCHEMBL18542425	295.379	RZUBUPFDMSPYAL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-033477
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c1(C(CC(C)C)NC(=O)COC)nnc2CCNCCn12	EMOLS-id_68905118,MCULE-6369762517,PC-id_118759658	295.381	DFKFRQDIVGIFIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033483
CCC(CCNC(=O)NCc1nnc2n1CCCCC2)O	PC-id_112312526	295.381	DVCWZKCSOLAVDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033484
CC(C)CNC(=O)N(C)C1CCc2nn(C)c(=O)n2CC1	PC-id_91922716,EMOLS-id_50586201	295.381	JKLBEXVWEZLBMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033485
CCCN(C(=O)NCc1nnc2n1CCCCC2)CCO	PC-id_110895063	295.381	MRMJNBJGRARJJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033486
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COC[C@@H](C)NC(=O)NCCc1nnc2n1CCCCC2	PC-id_52623451,ZINC22_59036432	295.381	MIBPMUWKKZPSPZ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033489
COC[C@H](C)NC(=O)NCCc1nnc2n1CCCCC2	ZINC22_59036430,PC-id_52623450	295.381	MIBPMUWKKZPSPZ-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-033490
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N#Cc1ccc(cc1)C=CCc1nc2c(s1)CCNCC2	PC-id_139769134	295.402	VKTFFBCJFVMFHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033681
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NC(=O)C1CSCCN1Cc1nnc2n1CCCCC2	EMOLS-id_316044479,MCULE-2746516619	295.404	QVCKNKRWVIURLJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033684
NC(=O)[C@@H]1CSCCN1Cc1nnc2n1CCCCC2	ZINC22_369745796	295.404	QVCKNKRWVIURLJ-JTQLQIEISA-N	00000000100010000101000000000010000000000000000000000000	31-01-033685
NC(=O)[C@H]1CSCCN1Cc1nnc2n1CCCCC2	ZINC22_369745797	295.404	QVCKNKRWVIURLJ-SNVBAGLBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033686
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S(C1CC(N)(CC1)C(=O)N)c1n2CCCCCc2nn1	PC-id_79654617	295.404	UMEYHSGQKGTZGR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033689
S(c1n2CCCCCc2nn1)CC(=O)N1CCNCC1	PC-id_61655029	295.404	RVJPDFGYUBCIDI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033690
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S(CC(N)(C1CC1)C(=O)N)c1n2CCCCCc2nn1	PC-id_63918050	295.404	WNFFZRNVZPIRBD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-033694
CCCCC(COCCC1CCOc2c(O1)c[nH]c2)CC	PC-id_140132244	295.417	KWDMFBNFBKZQSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033695
CCCCC(COCCn1cc2c(c1)OCCCO2)CC	PC-id_57738876,SCHEMBL3255129	295.417	DAFWMZLRNNQRGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033696
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O=Cc1c2-c(c(c1)C=CC(N)(C)C)cc(C(C)C)ccc2C	PC-id_57093397	295.419	VSLBKDFILYIVGM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033698
c1(N=C=S)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_6809966,MCULE-3574755504,TIMTEC251971,EMOLS-id_851092,PC-id_17374020	295.42	JWULXKRZRPIJJT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033699
C/C=C(/c1nn(c2c1CCCNCC2)Cc1ccccc1)C	PC-id_143040803	295.422	XYXTYSUPZGRULZ-CRKCGEKBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033700
CNC1C(=O)N(CCc2c1scc2)CC1CSC=N1	SCHEMBL14456580,PC-id_71173723	295.424	AZPTUYNLNUCNSK-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-033701
CNC1C(=O)N(CCc2c1scn2)CC1C=CSC1	SCHEMBL14178876,PC-id_71094744	295.424	UVNKZOXVXCQCLQ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-033702
NCCCC(NC(c1nnc2n1CCCCC2)C)COC	PC-id_103388963	295.424	BAUMERPXXCIRDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033703
N#CCSCC(=O)Nc1nc2c(s1)CCCCCC2	EMOLS-id_32084178,MCULE-7891204902,PC-id_47382705,ZINC22_48945281	295.424	BATUFQLEZIDXHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033704
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CC(CC(CNC(=O)c1cc2c(s1)CCCCC2)C)O	PC-id_111447519	295.44	NHORMISKHCEMCZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033706
CCCC(CNC(=O)c1cc2c(s1)CCCCC2)(O)C	PC-id_103713134	295.44	SBADGCYRPLHQRD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033707
CC(CC(CNC(=O)c1cc2c(s1)CCCCC2)O)C	PC-id_103771447	295.44	RBSBEEXUCAVRTD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033708
CC(CCCNC(=O)c1sc2c(c1)CCCCCC2)O	PC-id_107300227	295.44	PKMCXOJWRKYHKW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033709
CCCC(CNC(=O)c1sc2c(c1)CCCCCC2)O	PC-id_115700596	295.44	ZTPWUFJCJBDIMT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033710
CCC(CCNC(=O)c1sc2c(c1)CCCCCC2)O	PC-id_115703523	295.44	BYQPXGLUYGZOBI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033711
CC(CC(NC(=O)c1sc2c(c1)CCCCCC2)C)O	PC-id_104108656	295.44	DAXWRMUABLCYHU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033712
CC(CCN(C(=O)c1sc2c(c1)CCCCCC2)C)O	PC-id_111695388	295.44	OAFYIOQFCWNLSL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033713
CC(CN(C(=O)c1cc2c(s1)CCCCC2)C(C)C)O	PC-id_109894511	295.44	CMPDGRZGHPITGH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033714
CC(OCCCNC(=O)c1csc2c1CCCCC2)C	PC-id_20881866,ChEMBL-DNDi_CHEMBLC760-0996	295.44	RGHPSQUDXNFGDT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033715
CCOC(=O)N1CCc2c(CC1)c(c(s2)C(C)(C)C)C	SCHEMBL3002194,PC-id_68473086	295.44	GNXQPHYFNHFPHW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033716
O=C(c1cc2c(s1)CCCCC2)NC(C(O)(C)C)(C)C	PC-id_103895618	295.44	WOZHVNKHHCBUIZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033717
O=C(c1sc2c(c1)CCCCCC2)NC(C(O)C)(C)C	PC-id_115884511	295.44	DIEWCOVHRRZEDV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033718
OCCC(C(C)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_103782155	295.44	QZAXDNGENTZFPX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033719
OCCCCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_103919582	295.44	IMQGYPPWWYXIID-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033720
OCC(CCCNC(=O)c1cc2c(s1)CCCCC2)C	PC-id_103861531	295.44	MCIWRLGIZNFUOQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033721
OCCCCCN(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_107202090	295.44	DXRUJWFRCWFIGP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033722
OCCCCCNC(=O)c1sc2c(c1)CCCCCC2	PC-id_107319139	295.44	GKNVZUJSCABPRW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033723
OC(C(C)C)CNC(=O)c1sc2c(c1)CCCCCC2	PC-id_115701607	295.44	SRUKALTULBNEPW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033724
OCCC(CNC(=O)c1cc2c(s1)CCCCC2)(C)C	PC-id_103825083	295.44	CPDFGZHRVWHBTM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033725
OCCC(NC(=O)c1cc2c(s1)CCCCC2)(CC)C	PC-id_103945516	295.44	IHUDFMHSRFVNIQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033726
OCC(C(NC(=O)c1sc2c(c1)CCCCCC2)C)C	PC-id_115735009	295.44	OZNQUXVMFREGFY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033727
OCCC(NC(=O)c1sc2c(c1)CCCCCC2)CC	PC-id_115735222	295.44	YLPKVZKODQCJMP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033728
OCCCN(C(=O)c1sc2c(c1)CCCCCC2)CC	PC-id_115771310	295.44	CRRSNKYETDXQMQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033729
OCCC(NC(=O)c1sc2c(c1)CCCCCC2)(C)C	PC-id_115869838	295.44	FJWLGQXXQVYOAW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033730
OCC(N(C(=O)c1sc2c(c1)CCCCCC2)C)(C)C	PC-id_116117618	295.44	GHIDRVKXVBRBEI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033731
s1c2CCCCCc2cc1C(=O)N(CCCC)CCO	PC-id_60742601	295.44	RVFXFTAAMZWXDN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033732
s1c2c(CCCCC2)cc1C(=O)N(C(C)C)CCCO	PC-id_61040142	295.44	IAIRCXMXEYUZPS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033733
s1c2CCCCCc2cc1C(=O)NC(CC(C)C)CO	PC-id_61246948	295.44	KUPKJHCSYFHEHI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033734
s1c2c(CCCCC2)cc1C(=O)NC(CC)(CC)CO	PC-id_62518483	295.44	RXENNSVXXHWBLI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033735
s1c2CCCCCc2cc1C(=O)NCC(CCO)CC	PC-id_80308004	295.44	BABFQADXUWFIOH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033736
s1c2CCCCCc2cc1C(=O)NCC(O)(CC)CC	PC-id_65112702	295.44	DIEXOQAIVQAMIY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033737
s1c2c(CCCCC2)cc1C(=O)N(CC(O)(C)C)CC	PC-id_79387829	295.44	AYSCRBDPMFFJSD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033738
s1c2CCCCCCc2cc1C(=O)N(C(C)C)CCO	PC-id_43573379	295.44	HTMJJODCFRZYIV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033739
s1c2CCCCCCc2cc1C(=O)N(CCC)CCO	PC-id_60656084	295.44	KVZIOZOZECIPJU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033740
s1c2CCCCCCc2cc1C(=O)NC(C(C)C)CO	PC-id_79252711	295.44	PLXGXVVJXSKXPH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033741
s1c2c(CCCCCC2)cc1C(=O)NC(CC)(CO)C	PC-id_64557737	295.44	NFGOGORQBMCXIC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033742
s1c2CCCCCCc2cc1C(=O)NCC(CCO)C	PC-id_66109055	295.44	LUWDKWAPBCEMCZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033743
s1c2CCCCCCc2cc1C(=O)NC(CCCO)C	PC-id_80291725	295.44	QDSKUGBQVKMURE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033744
s1c2CCCCCCc2cc1C(=O)NCC(CO)(C)C	PC-id_81649808	295.44	MPJBKZPUACTAPD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033745
s1c2CCCCCCc2cc1C(=O)NCC(O)(CC)C	PC-id_65114298	295.44	SZPPYXCLXMGJCV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033746
s1c2CCCCCCc2cc1C(=O)N(CC(O)(C)C)C	PC-id_79290574	295.44	IYHZMUOJFPVKTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033747
s1c2CCCCCCc2cc1C(=O)N[C@@H](C(C)C)CO	PC-id_79246957	295.44	PLXGXVVJXSKXPH-CYBMUJFWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033748
s1c2CCCCCCCCCCc2nc1CC(=O)OC	PC-id_63540321	295.44	HRWMLACIWJWWAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033749
s1c2CCCCCCCCCCc2nc1C(=O)OCC	PC-id_63541575	295.44	AVJHSJYHVVNECE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033750
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FC(Cn1nc(c2=C(Cl)CC=CC(=c12)S)N)(F)F	PC-id_139425223,SCHEMBL21284945	295.712	HMEUDLJTYLICQD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033780
Clc1c(OC2CCN(Cc3occc23)C)c(F)ccc1	PC-id_68411874	295.737	YNQUVHPKHLZJDS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-033781
Fc1ccc(Cn2nc3CCCCCn3c2=O)c(Cl)c1	EMOLS-id_48463975,MCULE-7043580272,SPECS-id_AT-687/NB01990,ZINC22_98211249,PC-id_75526910	295.74	HSQORGWSHFUATG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033782
Clc1ccc(c(c1)CNC1CCn2c(CC1)nnn2)F	EMOLS-id_318314171,MCULE-1734983322	295.743	YBLJIHIELQPHAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033783
Clc1ccc(c(c1)F)CNC1CCn2c(CC1)nnn2	EMOLS-id_318042267,MCULE-1114160764	295.743	DGHFBXCCPVGCII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033784
Clc1cc(CNC2CCn3c(CC2)nnn3)ccc1F	EMOLS-id_318045850,MCULE-7557481478	295.743	UOSKSIJPFSBUAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033785
Clc1cnc(c(c1)F)NCc1nnc2n1CCCCC2	EMOLS-id_317969344	295.743	WPLMVDPOHDZTQX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033786
Fc1c(cccc1Cl)CNC1CCn2c(CC1)nnn2	EMOLS-id_318151832,MCULE-1385058990	295.743	OCONVJFVFZCHBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033787
Fc1ccc(c(c1)Cl)CNC1CCn2c(CC1)nnn2	EMOLS-id_318269307,MCULE-7433744719	295.743	BHUIJVVJHQYHIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033788
Fc1cccc(c1CNC1CCn2c(CC1)nnn2)Cl	EMOLS-id_318125158,MCULE-9944269482	295.743	NLZGHFJESWUPRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033789
Fc1cc(CNC2CCn3c(CC2)nnn3)ccc1Cl	EMOLS-id_318314170,MCULE-6637221594	295.743	ZKOPNZFNIULBFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033790
Fc1cc(CNC2CCn3c(CC2)nnn3)cc(c1)Cl	MCULE-3269536329,EMOLS-id_317981457	295.743	QGQNWCGSFBUZEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033791
Clc1c2-c(c(c1)/C=N/c1ccc(OC)cc1)ccccc2	PC-id_10732673	295.763	SBDIXJCJIUVROP-UDWIEESQSA-N	00000010100000110110000000000010000000000000000000000000	31-01-033792
Clc1ccc(/N=C/c2c3-c(c(OC)c2)ccccc3)cc1	PC-id_10582546	295.763	UEGJZMMEQOFTMK-UDWIEESQSA-N	00000010100000110110000000000010000000000000000000000000	31-01-033793
c1(CN2CCCn3nc(CO)cc3C2)[nH]nc(C)c1Cl	MCULE-2964254604,PC-id_91796173,EMOLS-id_55707044	295.768	VUGMMFJPPDHTMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033794
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccsc1Cl	EMOLS-id_320183726,MCULE-9986276856	295.788	SRYLNGOUDGLCSP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-033795
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cscc1Cl	MCULE-5253917895,EMOLS-id_320067425	295.788	YUYAMTYMVMYZPX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-033796
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1csc(c1)Cl	MCULE-7331120133,EMOLS-id_320149538	295.788	DUHJVQBKLJMPBS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-033797
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1sccc1Cl	EMOLS-id_319053116	295.788	LSQPEBKCQBIMSA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-033798
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1scc(c1)Cl	EMOLS-id_319195304	295.788	FXBZIMGYZYVGPR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-033799
Clc1ccc(c(n1)Sc1nnc2n1CCCCC2)N	PC-id_115474583	295.791	UANNUQNZGGFHPO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033800
Clc1ccc(nn1)CSc1nnc2n1CCCCC2	PC-id_113421409	295.791	FDXOVXGRFYRRBZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-033801
Clc1cc(N)c(Sc2n3CCCCCc3nn2)nc1	PC-id_81659641	295.791	LHVCHRYMJZJZHI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033802
Clc1ncc(nc1)CSc1nnc2n1CCCCC2	PC-id_113769549	295.791	NUGCHMXKKFNDLG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-033803
Clc1nc(nc(Sc2n3CCCCCc3nn2)c1)C	PC-id_62482153	295.791	KOKAEVLXVNHYAE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-033804
Clc1ncnc(Sc2n3CCCCCc3nn2)c1C	PC-id_63732906	295.791	GUZXQKACBWPYEL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-033805
Clc1nc(Sc2n3CCCCCc3nn2)c(C)cn1	PC-id_79073137	295.791	XLGTZUXEITXPHC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-033806
Clc1nc(Sc2n3CCCCCc3nn2)cc(n1)C	PC-id_62483232	295.791	OHISWBSFDQYDTI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-033807
Nc1cc(nc(c1)Cl)Sc1nnc2n1CCCCC2	PC-id_108347960	295.791	SSCAOWYBXLNALN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033808
Nc1cnc(c(c1)Cl)Sc1nnc2n1CCCCC2	PC-id_108156809	295.791	PGKXOWXCDRDORW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033809
Clc1c(Cc2sc3c(CCNCC3)c2)c(F)ccc1	SCHEMBL3004423,PC-id_11702083	295.803	FPVWTXDNCGQTRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-033810
Cc1cccc(c1Cn1c(=C)c(c2c1=CC=CC=C2)C)Cl	PC-id_143179418	295.806	NPKBVIKNLNLWPB-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-033811
ClC1CCC(CC1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319069325	295.808	VLVCSPXXNDGSER-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033812
Clc1cnn(c1C(c1cc2c(s1)CCCCC2)N)C	PC-id_105046799	295.831	HJJCJAYKWVGDSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033813
BrC1(Br)CCCCn2nnnc12	PC-id_21819679	295.963	RTYFDDCBWMMFRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033814
CCCN1B(C)Nc2nnnn2C(SN(B1C)N)(C)C	PC-id_144358231	296.012	VMKZBVQRXBGEDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033815
PPP(n1nnc2c1C(=O)N(C)CCO2)P	PC-id_23592167,SCHEMBL9881430	296.08	HPRCNGFTRCIJNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033816
C1CCC2=C(CC1)SC(=C2C#N)CC(=O)C3=CC=NC=C3	PC-id_160999232	296.098	TVQKQFDGJRZNBJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-033817
ISc1n[nH]c2c1CCOCC2	PC-id_142458332	296.129	UYYJHUZQQWYJIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033818
ClCC(=O)c1c2-c(cc1NC(=O)CCl)ccccc2	PC-id_85756765	296.149	ZPOQXRCLCLAYIF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033819
CCN1CCCCC2=C1SC(=C2)C(=O)N[C@@H](C)COC	PC-id_164637532	296.156	SCCPJFLILFDPRG-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-033820
C1CCC2=C(CC1)NN=C2C(=O)NC3=CC=CC(=N3)C4CC4	PC-id_154807927	296.164	IJMRSESUILPUPE-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-033821
C1CCC2=C(CC1)NN=C2C(=O)NC3=NC=CC(=C3)C4CC4	PC-id_154807926	296.164	WMACHAKZVHHTPC-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-033822
Brc1cn[nH]c1CN1CCCc2c(C1)c[nH]n2	EMOLS-id_319930600,MCULE-6035516185	296.166	RANJRNBSSVCPGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033823
I.c1(nc2c(s1)CCCCC2)N	CHEMBL39550	296.172	XNGUDUZJUSPICK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033824
CCCCCCCCCCCCC1=CC2=CC=CC=CC2=C1	PC-id_154284541	296.25	NJKDUZPLORJBLY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033825
P(=O)(OCC)(OCC)Cc1c2-c(oc1=O)ccccc2	PC-id_10469816	296.256	OTGZELGDQGDSJP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033826
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ocnc1C(F)F	EMOLS-id_318899643	296.273	UBBDVEQPIRTPCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033827
CN1C(=O)C(CCn2c1cc(n2)CC1CC1(F)F)N=[N+]=[N-]	SCHEMBL18366957	296.276	WNMCJQCBVPUWPD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-033828
N#CC1CC(CN1C(=O)C1CCn2c(CC1)nnn2)(F)F	EMOLS-id_320068578,MCULE-5105441636	296.276	UJEQZWINHPNOOA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033829
CCC1NC(=O)NCC(=O)NCC(=O)NCc2oc1nn2	SCHEMBL18652904	296.283	RAHVCKXQTCQBTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033830
FC(F)(F)c1ccc2-c(ccc2C(=O)OC(C)(C)C)cc1	PC-id_12065881	296.284	GWCWGKCVKVGDBT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033831
FC(c1cccc(n1)CN1CCCc2c(C1)cco2)(F)F	EMOLS-id_319100477	296.288	MOQOCBBPUSLPSP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-033832
Fc1cc(F)c(c(c1)F)NCc1nnc2n1CCCCC2	EMOLS-id_318109164	296.291	AICFUHRFBUQMJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033833
FC(c1nnc2n1CCN(CC2)Cc1ccccc1)(F)F	PC-id_68811026,SCHEMBL3843227	296.291	YRIGBXRMANUMGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033834
FC(F)(F)c1ccccc1CN1CCc2nncn2CC1	MCULE-1870811544,EMOLS-id_20394530,CoCoCo_1124526,ZINC22_23128967,CoCoCo_1124525,PC-id_30852410	296.291	GXQJSYNEXMLBTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033835
O=C(c1noc2c1CCCCC2)N1CCC(C1)(F)C(=O)O	PC-id_120529675	296.294	MPJTYADFKVCGPJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033836
CC(=O)Nc1sc2c(n1)CCCC(C2=O)C(=O)C(=O)O	PC-id_58256790,SCHEMBL692655	296.299	WDUHKRAPJJIPLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033837
Fc1cncc(c1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99309020	296.317	CNBAMUYLABUBFC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-033838
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(cc2)C#C)CC	PC-id_12599371	296.317	YIPKMZHZYFSLQM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033839
COCCC(C(=O)O)NC(=O)c1noc2c1CCCCC2	MCULE-2529027678,PC-id_120703024,EMOLS-id_72151530	296.319	ZZLOMYJEDBXXRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033840
COCC(C(=O)O)(NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_57632625,MCULE-1029264017,PC-id_120531803	296.319	ONBKASLOEQXYDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033841
COCCN(C(=O)c1noc2c1CCCCC2)CC(=O)O	MCULE-5975416671,PC-id_120516221,EMOLS-id_57590369	296.319	SBGVWGOKXATHQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033842
FC(Cn1ncc(c1)NCc1nnc2n1CCCCC2)F	MCULE-1264786714,EMOLS-id_258060557	296.319	LWBGPNZTBVLNGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033843
Fc1ccccc1S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319071859	296.321	VRHIDYZHASAQMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033844
Fc1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319756219	296.321	VBPQIEMRSAYPAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033845
O=C(c1cc2ccccc2o1)c1nc2c(n1O)CCCCC2	MCULE-7576411056,ChEMBL-DNDi_CHEMBL1402105,Chemmine_15284,CoCoCo_973847,ZINC22_618936,PC-id_976642,CHEMBL1402105,EMOLS-id_2262107	296.321	UOWAAUYECCFQAN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033846
CC(CCCCN1C(=O)CNc2c(C1=O)n(C)c(=O)[nH]2)O	PC-id_142022458	296.322	GKOMCAHFUSOUIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033847
O1C(CC(O)C1CO)CCn1c2NC=NC[C@@H](O)c2nc1	PC-id_53885233	296.322	HMQWZOCMEGBURU-VEKQPKGLSA-N	00000010100000000111000000000010000000000000000000000000	31-01-033848
OC(C(O)c1ccc2-c(cc1)ccc2)c1ccc2-c(cc1)ccc2	PC-id_15496574	314.377	LHPMVBQORCAMGY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046818
O1C(CC(O)C1CO)CCn1c2NC=NCC(O)c2nc1	PC-id_76080892	296.322	HMQWZOCMEGBURU-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-033849
O=c1n2CCCCCc2nn1CC(NC(=O)C)C(=O)OC	PC-id_65442425	296.322	ZHJRYVNGKRPCBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033850
O(CC(=O)NC(c1n2CCCCCc2nn1)C)CC(=O)O	PC-id_61328058	296.322	ONJGFBNVNLJPBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033851
O=C(OC(C)(C)C)N[C@H]1COc2c(N(C1=O)C)cnn2C	SCHEMBL18366353	296.322	JHTDAJNCHSPTHO-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033852
c1(ccc2ccccn12)C(=O)N1CCc2c(c(=O)[nH][nH]2)CC1	MCULE-4452676655,ZINC22_2356138012,EMOLS-id_337795086	296.324	FANWPSRIPRXDFV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033853
C1CCc2nnc(n2CC1)/C(=C/c1cc(c(cc1)O)O)/C#N	PC-id_135691012,CoCoCo_3559561	296.324	UVAYRLVMOPGNGZ-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033854
c1(C(=O)/N=c/2[nH]c3c(cccc3)[nH]2)c2CCCCCc2on1	MCULE-2402115616,STOCK7S-16585,PC-id_52902776,EMOLS-id_35790788,EMOLS-id_36740469,ZINC22_61721860	296.324	KYTCSWRRLZXLHT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033855
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c(o1)cccn2	EMOLS-id_318821782	296.324	FWOMPDSZYPISRG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033856
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nccc2c1cco2	EMOLS-id_319151566	296.324	WLSCCEKGASAZKP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033857
N#Cc1ccc(cc1O)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319079643	296.324	XNTNYNJKCDAQFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033858
N#Cc1ccc(nc1)NCC(=O)N1CCCc2c(C1)cco2	MCULE-5363979889,EMOLS-id_100663844	296.324	BSYUFHDKLLHFOF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-033859
N#Cc1cc(O)cc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319462279	296.324	FYTDTIFVCQSCLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033860
N#Cc1cncc(c1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_319358347	296.324	WJJCGALLIYIELR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033861
N#CCc1cccc(n1)NC(=O)c1noc2c1CCCCC2	MCULE-4841157436,EMOLS-id_320223688	296.324	RJJUNACPIYOHCC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033862
N#C/C(=C/c1ccc(c(c1)O)O)/c1nnc2n1CCCCC2	CoCoCo_3559562	296.324	UVAYRLVMOPGNGZ-WQLSENKSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033863
N#CC(=Cc1ccc(c(c1)O)O)c1nnc2n1CCCCC2	EMOLS-id_44488387,MCULE-1138556282	296.324	UVAYRLVMOPGNGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033864
OC1=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=CC1=O	PC-id_16236095	296.324	BGZZVVWRCGSTAX-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-033865
OC1=C/C(=C/C(=C/N3CCCCCC3=NN2)/C#N)/C=CC1=O	PC-id_5775030	296.324	BGZZVVWRCGSTAX-NJAVVXAXSA-N	00000011000011000111000000000010000000000000000000000000	31-01-033866
O=C1N(Cc2nn3CCCCCc3n2)C(=O)c2c1cccc2	PC-id_10017453	296.324	OZUDDSIIGXONLP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-033867
O=c1n(ccc2-c(nc(n2)N)c1Cc1ccc(OC)cc1)C	PC-id_25215571	296.324	WFJVLMJHAXIAKZ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-033868
O=C(c1cn2nccc2nc1C)N1CCCc2c(C1)cco2	EMOLS-id_101307930	296.324	RKEVPBSOWQCLJR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033869
O=C(c1c(N)nn2c1cccc2)N1CCCc2c(C1)cco2	EMOLS-id_319247210	296.324	UVNWLYYCDQZFPL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033870
O=C(c1n[nH]c2c1CCCCC2)Nc1cccc2c1nco2	EMOLS-id_316552143	296.324	CPDKBZABKBFPJO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033871
O=C(c1noc2c1CCCCC2)Nc1ccc2c(c1)cn[nH]2	EMOLS-id_100948269	296.324	LOFLOASXTGJSSZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033872
O=C(c1noc2c1CCCCC2)Nc1ccc2c(c1)[nH]cn2	EMOLS-id_100960935	296.324	QABQQMBVHDTIMG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033873
O=C(N1CCCc2c(C1)cco2)Cn1ncc2c1cccn2	EMOLS-id_319959172,MCULE-3055306160	296.324	WBOYFOCTWMQXKX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033874
O=C(N1CCCc2c(C1)cco2)Cn1ncc2c1nccc2	MCULE-4669885693,EMOLS-id_320252129	296.324	GONLKESZZTYGEV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033875
c12C(=O)NCCCc1[nH]c(CCn1c3ccccc3nn1)n2	MCULE-6559969007,ZINC22_95375714,PC-id_72898272,EMOLS-id_46630146	296.327	PTAOZRLYZMJCFO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033876
c1(C(=O)Nc2ccc3c([nH]nc3)c2)cn2c(CCNCC2)n1	EMOLS-id_330419954,MCULE-8262982187,ZINC22_1857718402	296.327	IABDVCMPJURVSM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033877
Cc1ccc(cc2-c1c(cc2C)[C@H](C(F)(F)F)O)C(C)C	PC-id_102509619	296.327	JGEPYRXRSCIWRK-MRXNPFEDSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033878
Cc1ccc(cc2-c1c(cc2C)[C@@H](C(F)(F)F)O)C(C)C	PC-id_102509620	296.327	JGEPYRXRSCIWRK-INIZCTEOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033879
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)nn[nH]2	EMOLS-id_318988015	296.327	YDSWCBIGYMGQFF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033880
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(n1)cn[nH]2	EMOLS-id_320205406,MCULE-8649324614	296.327	QMLHCRLMIWRDJC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033881
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2n(c1)cnn2	EMOLS-id_319050455	296.327	VDIKEYSKGAXLLO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033882
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2n(c1)ncn2	EMOLS-id_319274827	296.327	QBUHDNDHIAYDBC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033883
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2c1[nH]nn2	MCULE-9616977491,EMOLS-id_320030266	296.327	QDFHLASAZVMONK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033884
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccn2c1ncn2	EMOLS-id_319076123	296.327	VVPODZRIGWGRKD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033885
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccn2c1nnc2	EMOLS-id_318911842	296.327	WNPBTRRIVANMOE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033886
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn2c(n1)ccn2	EMOLS-id_318960362	296.327	RQJDZPPRVBBWED-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033887
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc2n1ncc2	EMOLS-id_319114889	296.327	LCPRWCJPTUOXNJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033888
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc2c(c1)nc[nH]2	MCULE-5135930314,EMOLS-id_319878640	296.327	LRYSSKWKLCFLQW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033889
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc2n1nccc2	EMOLS-id_319380418	296.327	NBLVGJDVVSKDJD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033890
OC(C(=O)N)CNC(=O)c1sc2c(c1)CCCCCC2	PC-id_107260992	296.385	ZKRXBPWDNNUQNI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034021
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncc2c1[nH]cn2	MCULE-5601367962,EMOLS-id_320031918	296.327	SUZYFTLPFQSBMU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033891
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nccn2c1ncc2	MCULE-9975299506,EMOLS-id_319930868	296.327	GERSXQCROPYGGH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033892
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nn2c(c1)nccc2	EMOLS-id_319936972,MCULE-6937980488	296.327	KSTXCSHVHFWPAP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033893
Cn1ncc2c1CCCN(C(=O)c1cn3cccnc3n1)C2	MCULE-3480513654,PC-id_145879166,EMOLS-id_317044498,ZINC22_1335951990	296.327	NZOXFDZSOAKONV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033894
n1(CC(=O)N2CCCn3cncc3C2)nc2c(cccc2)n1	PC-id_56908588,MCULE-6766397834,EMOLS-id_43155374,ZINC22_72159299	296.327	OBHZLMXMOVYMTG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033895
N#Cc1ccc(cc1)NC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-2451359423,EMOLS-id_320094805	296.327	XUABTMPPATYMGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033896
N#Cc1cccc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-5144697451,EMOLS-id_320272457	296.327	SGMHEBIHPIAUKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033897
N#Cc1nccc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_316721378	296.327	KPVUXDIUWVIISW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-033898
O=C(c1ccc2c(c1)nn[nH]2)N1CCCc2c(C1)cnn2C	EMOLS-id_101668270	296.327	IUCAODYEFNITOR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033899
O=C(c1ccc2c(n1)cn[nH]2)N1CCCc2c(C1)cnn2C	EMOLS-id_319525466	296.327	AEQCSDALXOSCOP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033900
O=C(c1ccc2n(c1)ncn2)N1CCCc2c(C1)cnn2C	EMOLS-id_319247624	296.327	UFYITADPDLGEGF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033901
O=C(c1cccc2n1cnn2)N1CCCc2c(C1)cnn2C	EMOLS-id_319870578,MCULE-6978179367	296.327	ZXGSKILFUKAZCL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033902
O=C(c1cccn2c1ncn2)N1CCCc2c(C1)cnn2C	EMOLS-id_319298759	296.327	FVDKQVHOCHDYPO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033903
O=C(C1CCn2c(CC1)nnc2)Nc1ccc2c(c1)cn[nH]2	PC-id_146108841,MCULE-5334422102,EMOLS-id_319190935	296.327	DQXFOIMYTZUYIU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033904
O=C(C1CCn2c(CC1)nnc2)Nc1cccn2c1ccn2	MCULE-5832387496,EMOLS-id_319825911	296.327	VAUJBXNYUIWFFS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033905
O=C(C1CCn2c(CC1)nnc2)Nc1ncc2n1cccc2	EMOLS-id_318839800	296.327	CNDDMEXGWRLVAP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033906
O=C(c1cnc2c(c1)[nH]nc2)N1CCCc2c(C1)cnn2C	EMOLS-id_319138948	296.327	FIZCKIDNKRIFJM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033907
O=C(c1cnc2n1CCCCC2)Nc1cnc2n(c1)ccn2	EMOLS-id_278212008	296.327	GKORBXMKUJNKAU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033908
O=C(c1cnc2n1CCCCC2)Nc1cnc2n(c1)ncc2	EMOLS-id_319685555	296.327	VNVYHDVEEOLEDL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033909
O=C(c1cnn2c1cccn2)N1CCCc2c(C1)cnn2C	EMOLS-id_101845279	296.327	AENFJBDLVFJDMV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033910
O=C(c1n[nH]c2c1CCCCC2)Nc1cccn2c1ncn2	EMOLS-id_319791010	296.327	QTPJPXDWVYIVJC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033911
O=C(N1CCCc2c(C1)c[nH]n2)Cn1ncc2c1cccn2	MCULE-7568751371,EMOLS-id_319882981	296.327	MDVZNERNFNERBJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033912
Fc1cc(Sc2nnc3n2CCCCC3)c(c(c1)F)N	PC-id_115507582	296.339	IOYZPOMVESAHRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033913
S(c1n2CCCCCc2nn1)c1c(F)cc(N)cc1F	PC-id_61015632	296.339	NUSQCNXHPYQAOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033914
S(c1n2CCCCCc2nn1)c1c(N)ccc(F)c1F	PC-id_62531494	296.339	HADXTMVEPDAIMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033915
O=C(c1c(C)c(c2-c1ccccc2)C(=O)O)c1cccs1	PC-id_139771644	296.34	WSKJRNCIZSQTGI-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-033916
[O-]C(=O)C1c2n(CCCC1)c(c(c2)C)C(=O)c1ccccc1	PC-id_20483741	296.34	NHBNQFCJWLJZBB-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-033917
CC(C)OCc1nnn2c1CN(C(=O)C1(F)CC1)CCC2	ZINC22_1565551798,EMOLS-id_313733340	296.341	KLJZCKQKTWFQML-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-033918
CCOCc1nnc2CCN(CCn12)C(=O)C1(F)CCC1	EMOLS-id_313735633,ZINC22_1565546108	296.341	UCEHZPVSGODAKH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-033919
c1(NC(=O)C)sc2c(CCCNC2=O)c1C(=O)OCC	BAS-01026384,SPECS-id_AT-225/JK10862,CHEMBL1407464,MCULE-7400108248,EMOLS-id_1024083,PC-id_646136,CK1627987,ZINC22_126469,ChEMBL-DNDi_CHEMBL1407464	296.342	BYICAFNFOJCWNU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033920
Cc1cc(CS(=O)(=O)N2CCCc3occc3C2)on1	EMOLS-id_99305954,ZINC22_329352166,MCULE-8363424641	296.342	XMYMWNIUUCDKPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033921
CC(C)(C)N(CCC1CCCCc2noc(=O)n12)C(=O)[O-]	PC-id_86759500	296.342	WBQBLUFJYGHUNF-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-033922
COC(=O)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	SCHEMBL8289688,PC-id_60001312	296.342	QKMKHJDSUQPCGI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033923
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)N	PC-id_2665519	296.342	REHHHCKUJSJSQM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033924
s1c2c(CCCNC2=O)c(NC(=O)C)c1C(=O)OCC	PC-id_540454	296.342	RCUJAKSLHZXOKH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033925
s1c2CCCC(=O)N(CC(NC(=O)C)C(=O)O)c2cc1	PC-id_64582099	296.342	ZFZRUUCBJJYOEN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-033926
s1c2c(N(C(=O)CN(C2=O)C(=O)OC(C)(C)C)C)cc1	PC-id_44204175	296.342	IAMXKSKSNPSTEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033927
c1ccc2-c(cc1)nc(n2)SCc1cccc2c1OCO2	PC-id_139631107	296.344	GPHMZZGNCQRWLG-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-033928
O=C1NCCS(=O)(=O)c2c1cc(s2)S(=O)(=O)N	SCHEMBL9428610,PC-id_19106466	296.344	WZLOZKFCUJNJFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033929
O=C(N1CCCC(C1)(C)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102161374	296.344	HWVRSLMPGMCXRA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033930
O=C(N[C@@H]1CCCC[C@H]1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102160921	296.344	ZJKDHWDFBZQMPL-FHZGLPGMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033931
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)N1CCOCC1	PC-id_90625576	296.345	IOJPQITYQVLIPT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033932
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1conc1C	EMOLS-id_319428860	296.345	RKZHXQLSHVPQAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033933
CCOC(=O)C1=C(Nc2nnc(n2C(=O)C1C)SC)C	PC-id_137175862	296.345	DINWHPSEBNHRHL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-033934
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1conc1C	EMOLS-id_316618295	296.345	RBRSGEXHTWETMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033935
S(c1n2CCCCCc2nn1)CC(=O)N1CCOC1=O	PC-id_8748875	296.345	XLZXFXFWERNFNI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-033936
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cnn(n1)C	EMOLS-id_319457042	296.349	QPOFHEOHIBKBII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033937
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1nnn(c1)C	EMOLS-id_319411128	296.349	SBMIHUFSSLBUPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033938
CCn1ncc(c1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316708350	296.349	CTOHQXKEHLJWGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033939
Cn1ncc(n1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319525888	296.349	OKMBLMYDCZHUBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033940
CS(=O)(=O)N1CCCn2c(Cn3cccn3)nnc2C1	EMOLS-id_44370870,PC-id_97519744,ZINC22_96259662	296.349	SRLBPKSOVAHNKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033941
OC[C@@H]1CN(Cc2noc3c2CCCCC3)C[C@@H](CO)O1	ZINC22_2325807632	296.362	IWMKFMGTVOKSED-RYUDHWBXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033942
OC[C@@H]1CN(Cc2noc3c2CCCCC3)C[C@H](CO)O1	ZINC22_2325807633	296.362	IWMKFMGTVOKSED-TXEJJXNPSA-N	00000000100010000101000000000010000000000000000000000000	31-01-033943
c1(c2CCCCCc2on1)C(=O)N(CC=C)c1ccccc1	MCULE-9359147313,PC-id_16043946,EMOLS-id_16234751,CoCoCo_2401373	296.364	NNSMCIWUBQWCJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-033944
O=C(c1noc2c1CCCCC2)NC1Cc2c(C1)cccc2	EMOLS-id_111881653	296.364	PQYXHWDCPCDMRH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-033945
O=C(NC1(c2ccccc2)CC1)c1noc2c1CCCCC2	EMOLS-id_100955235,ZINC22_333221105	296.364	DRVWXGQVHGVUJG-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-033946
CCCC(CNC(=O)Cn1nc2n(c1=O)CCCCC2)O	PC-id_112294516	296.365	CVPQIPHWPXHRNE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033947
CC(CCN(C(=O)Cn1nc2n(c1=O)CCCCC2)C)O	PC-id_112233550	296.365	SRIKXNMYTCPNGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033948
CN(C(=O)Cn1nc2n(c1=O)CCCCC2)CC(O)(C)C	PC-id_111663123	296.365	BJTJNVTVPKSPNE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033949
N(=C(c1c2-c(cc1)ccccc2)c1ccc2-c(cc1)ccc2)N	PC-id_23244831	296.365	IZTQVKRAHXMXCH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033950
N/N=C(c1ccc2-c1ccccc2)/c1ccc2-c(cc1)ccc2	PC-id_101137962	296.365	IZTQVKRAHXMXCH-LNVKXUELSA-N	00000010100000000110000000000010000000000000000000000000	31-01-033951
OCCCC(NC(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_112308678	296.365	MYXQTOBRCVSQEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033952
OCCC(CNC(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_112357752	296.365	PUYUYOCXPCDZIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033953
OCC(C(NC(=O)Cn1nc2n(c1=O)CCCCC2)C)C	PC-id_112350139	296.365	PFKFHAPSTSBVGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-033954
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c12CN(CCCn1nc(CO)c2)Cc1cccc2c1cc[nH]2	PC-id_90649706,MCULE-8431169888,EMOLS-id_50534601,ZINC22_219904761	296.367	LXRUQFVZJYQOMJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-033956
c12C(=O)NCCCc1[nH]c(CCN1CCc3ccccc13)n2	MCULE-7771597655,PC-id_72925064,ZINC22_95386292,EMOLS-id_46643796	296.367	HFZHHWSRCQYJKE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-033957
c1coc(CN2CCCn3cnc(Cn4cccc4)c3C2)c1	EMOLS-id_44370466,PC-id_97519541,ZINC22_96259457	296.367	RYKXBDRWFNTBRL-UHFFFAOYSA-N	00000000111000000101000000000010000000000000000000000000	31-01-033958
c1(C(=O)Nc2cccc3CCCc23)cn2c(CCNCC2)n1	ZINC22_1857724945,EMOLS-id_330455335,MCULE-7911986882	296.367	GKGULDFLEYTBSS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-033959
CC1CN(Cc2c(C1)[nH]nc2)C(c1nc2c(o1)cccc2)C	MCULE-1792000560,EMOLS-id_319998515	296.367	JHWGMCYRKDGZLY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-033960
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)c1ccccn1	EMOLS-id_319417146	296.367	YTIHMTPMGJWHDG-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-033961
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)c1cccnc1	EMOLS-id_319862820	296.367	JHKPYMKQUVSJSU-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-033962
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C1CCn2c(CC1)nnc2CNCC1CCc2c1cccc2	MCULE-9550603779,EMOLS-id_318737094	296.41	UTAUCGOQFIOCNL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034075
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CC1Cc2c(C1NCc1nnc3n1CCCCC3)cccc2	EMOLS-id_317982731	296.41	HZSAFEFEQDHXCR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034077
CC1CC(c2c1cccc2)NCc1nnc2n1CCCCC2	EMOLS-id_318356904,MCULE-1271425081	296.41	RQEFPRHACYAAEC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034078
Cc1ccc2c(c1)C(CC2)NCc1nnc2n1CCCCC2	EMOLS-id_318291128	296.41	AFGRNBCQKXAKCY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034079
Cc1ccc2c(c1)CCC2NCc1nnc2n1CCCCC2	EMOLS-id_318648500	296.41	LKZPEMHZENNQJT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034080
Cc1cccc2c1CCC2NCc1nnc2n1CCCCC2	EMOLS-id_318289592	296.41	FTFKLFBQEWQWJT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034081
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CCC/C(=C/1C(=O)CCCc2c1ccs2)/c1ccccc1	PC-id_101764279	296.427	PVWHPXMKZMJKQK-XDJHFCHBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034093
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c12N(CCCCc1cc(C(=O)NC(C)COC)s2)CC	MCULE-1927633376,EMOLS-id_97030511	296.428	SCCPJFLILFDPRG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034100
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CC(COC(C(=O)N1CCCCc2c1sc(n2)C)C)C	MCULE-9976421989,EMOLS-id_319887296	296.428	CEIZZGMLNVKWJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034105
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CCN1CCCc2c(C1)cc(s2)NC(=O)OC(C)(C)C	PC-id_13277391,SCHEMBL10856815	296.428	IWBXPRFEJJKXIX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034109
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COCC(C(C(=O)N1CCCCc2c1sc(n2)C)C)C	MCULE-7937781806,EMOLS-id_319923836	296.428	MDGWPUITVGTLLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034112
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s1c2CCCCCCc2nc1NC(=O)C(OCC)CC	PC-id_56060696	296.428	YDPFPIDXCVUQNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034118
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CC1OCC(N(C1)Cn1nc2n(c1=S)CCCCC2)C	PC-id_42954826,EMOLS-id_25668575,MCULE-2588259199	296.432	PHMMKEYYJPOJPH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-034126
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s1c2CCCCCc2cc1C(=O)NC(C)(C)C(=S)N	PC-id_61121023	296.451	OBVZKHRMKOGBSY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034159
s1c2CCCCCc2cc1C(=O)N(CC)CC(=S)N	PC-id_61900453	296.451	RAVKAGQWPMTDLX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034160
s1c2CCCCCc2cc1C(=O)NCCCC(=S)N	PC-id_62666403	296.451	KDCLWSDCABFBIY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034161
s1c2CCCCCc2cc1C(=O)N(CCC(=S)N)C	PC-id_28388423	296.451	RDGAVMLPORGHMI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034162
s1c2CCCCCc2cc1C(=O)NC(CC(=S)N)C	PC-id_55033816	296.451	OJPPXOFRROSYHN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034163
s1c2CCCCCc2cc1C(=O)N(C(C)C(=S)N)C	PC-id_61886438	296.451	ZLGMEXFRRZREBH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034164
s1c2CCCCCCc2nc1NC(=O)CSCC=C	PC-id_56021725	296.451	NLPVGZLKELHVQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034165
CC1(C)COc2c(OC1)c(sc2C(C)(C)C)C(C)(C)C	PC-id_70833149,SCHEMBL13074718	296.468	MXRYLDNBJHIVPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034166
CCCc1sc(c2c1OCC(CO2)C)C(CC)(CC)C	PC-id_71161106,SCHEMBL14396193	296.468	DKVROXVBSXGAAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034167
CCCCCCCCCCC1CCOc2c(O1)csc2	PC-id_69218389,SCHEMBL4854666	296.468	JDDXPHLVXBAAGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034168
CC[C@@H](CC1(COc2c(OC1)csc2)C[C@H](CC)C)C	PC-id_101430411	296.468	DIVUKYVHCSVWMO-KBPBESRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034169
COCCNCCCNCc1cc2c(s1)CCCCC2	PC-id_104424655	296.471	RWWWMPIZMCCGRS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034170
COCCNCC(NCc1cc2c(s1)CCCCC2)C	PC-id_104397835	296.471	QAGUSMCTFGLEPK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034171
COCCNCCN(Cc1cc2c(s1)CCCCC2)C	PC-id_104414626	296.471	ZEQVYNCEOHWZNV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034172
NNC(c1cc2c(s1)CCCCC2)CCC(OC)(C)C	PC-id_113766215	296.471	HXGIRZKDXGYUTH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034173
s1c2CCCCCCCCCCc2nc1NCCOC	PC-id_63471871	296.471	AFSWOCDEIXZZIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034174
c12SCC(CSc1sc(=S)s2)OC(=O)C	ZINC22_5378695,TIMTEC529370,PC-id_5065847,MCULE-1548858045	296.473	WOEUINRMKVSJQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034175
CCNC(CCCSc1nnc2n1CCCCC2)CC	PC-id_106808261	296.475	ABTAPQLWNPUWPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034176
NCC(CCCCSc1nnc2n1CCCCC2)(C)C	PC-id_106713296	296.475	GMBUYJGOSNPVAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034177
S(c1n2CCCCCc2nn1)CCCCC(NCC)C	PC-id_64649701	296.475	MSTHICAHVIACAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034178
S(c1n2CCCCCc2nn1)CCCCNC(C)(C)C	PC-id_62577927	296.475	GRVAGJVMBSJUFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034179
S(c1n2CCCCCc2nn1)CCCCNCC(C)C	PC-id_62578142	296.475	QEGLAUYUYRFYEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034180
S(c1n2CCCCCc2nn1)CCCC(NCCC)C	PC-id_64648331	296.475	AJHROABCWVABHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034181
S(c1n2CCCCCc2nn1)CCNCCCC(C)C	PC-id_62576278	296.475	ZJQXIJGPSDMQCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034182
S(c1n2CCCCCc2nn1)CCNCCC(C)(C)C	PC-id_62576482	296.475	PNMMBGOROWDYOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034183
S(c1n2CCCCCc2nn1)C(CNCCCCC)C	PC-id_62577305	296.475	PAACVKGSUYALTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034184
S(c1n2CCCCCc2nn1)C(CNCCC(C)C)C	PC-id_62577514	296.475	UJRFTGPOJLHKOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034185
S(c1n2CCCCCc2nn1)CCNCCCCCC	PC-id_62578797	296.475	UDAFMOWEWRUBKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034186
S(C(C(C)(C)C)C(N)CC)c1n2CCCCCc2nn1	PC-id_61631851	296.475	JWOPVXKGGVFUGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034187
S(CC(CNC(C)(C)C)C)c1n2CCCCCc2nn1	PC-id_64232014	296.475	GWQYGVNGRLPZKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034188
S(C(CC(NCCC)C)C)c1n2CCCCCc2nn1	PC-id_64704637	296.475	NCEGXJGGTGPXFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034189
S(C(CNC(CC)(C)C)C)c1n2CCCCCc2nn1	PC-id_62577099	296.475	VRMNBQRUWHGGQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034190
S(C(CNC(CC)CC)C)c1n2CCCCCc2nn1	PC-id_62577303	296.475	RZYKLOLBLGMMBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034191
S(C(CNC(CCC)C)C)c1n2CCCCCc2nn1	PC-id_62577715	296.475	MNXFQEMXJDDWEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034192
S(CC(NCCC)CCC)c1n2CCCCCc2nn1	PC-id_64648335	296.475	OMLDCEXXPACULU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034193
S(CC(NCC)C(C)(C)C)c1n2CCCCCc2nn1	PC-id_64648529	296.475	NCXMASWMNAIIOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034194
S(C(C(NC)CCC)CC)c1n2CCCCCc2nn1	PC-id_64648726	296.475	NUCCJGSKLAQZIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034195
S(C(C(NCCC)CC)C)c1n2CCCCCc2nn1	PC-id_64649511	296.475	NMOLWKDNUMEFPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034196
S(CC(NCC)C(CC)C)c1n2CCCCCc2nn1	PC-id_80450943	296.475	SWRIJLSSLLYKCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034197
S(CC(NCCC)C(C)C)c1n2CCCCCc2nn1	PC-id_80451042	296.475	RZPNQOWCMBOJID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034198
c1(c(CCCCC)cc2-c1cccc(c2)C(C)C)CCCC	PC-id_19815699	296.489	MSRURGWCRKNFEF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034199
C(c1c2-c(c(C(C)(C)C)c1)cccc(C(C)(C)C)c2)(C)(C)C	PC-id_10017493	296.489	IXNOAKGIWAIZLG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034200
C(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)(C)(C)C	PC-id_15213333	296.489	RYVGXRUGCVLEMO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034201
CCCCCCCCCCCCc1ccc2-c1ccccc2	PC-id_101455023	296.489	FKVLZNBMHUZIRQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034202
CCC(C1=C(Sc2c(SC1=C)ccs2)C(C)C)C	PC-id_134289953,SCHEMBL19906224	296.514	XJMRAAJKANLZOJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-034203
C1CSCc2c(CSCCO1)sc(=S)s2	PC-id_91492182,CT-id_2222287	296.516	HAWCGNLTNPEXFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034204
Fc1ccc(CN2CCc3n[nH]c(=O)n3CC2)c(Cl)c1	PC-id_91910601,MCULE-5574123836,EMOLS-id_49731305	296.728	QIMNUJNSQHFYHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034205
Clc1c2-c(c(/N=N/c3ccc(OC)cc3)c1)ccccc2	PC-id_10946408	296.751	WNGFQRIWTDQSOU-FMQUCBEESA-N	00000010100000110110000000000010000000000000000000000000	31-01-034206
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncc(s1)Cl	EMOLS-id_319273125	296.776	FQOFUGIADRILKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034207
Clc1cc(nc(n1)N)Sc1nnc2n1CCCCC2	PC-id_47151384,GD-id_ZINC43535183	296.779	ZQVCXDNNLQGYTB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-034208
Clc1c(N)ncnc1Sc1nnc2n1CCCCC2	PC-id_108182224	296.779	VIMHOOYEZOUREB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-034209
Clc1c(Sc2n3CCCCCc3nn2)nc(nc1)N	PC-id_80883377	296.779	CULSYTVYJHWWFH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-034210
Clc1ncc(c(n1)Sc1nnc2n1CCCCC2)N	PC-id_108138383	296.779	KCOWMDOOAOLLMO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-034211
Clc1ncnc(Sc2n3CCCCCc3nn2)c1N	PC-id_60726367	296.779	FAZWSHYAFBTCCQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-034212
Clc1c(Cc2sc3c(CNNCC3)c2)c(F)ccc1	PC-id_69484732,SCHEMBL5552515	296.791	KVQNHUDIDRWKQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034213
CCCN1CCC(=O)c2c(C1=O)n(CCCCCl)cc2	SCHEMBL9041335,PC-id_10827818	296.792	YSRLSGMNDQZQLH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034214
ClCCCCn1c2c(C(=O)CCN(C(C)C)C2=O)cc1	SCHEMBL9040778,PC-id_10542000	296.792	UYAYXQOUANJAOH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034215
c1(cc(c2-c1c(ccc(c2)C(C)C)C)C)S(=O)(=O)Cl	PC-id_73994815,MCULE-9019871638,EMOLS-id_37155949	296.812	KUSCLYCMASCDOV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034216
ClS(=O)(=O)c1c2-c(c(c1)CC)ccc(C(C)C)cc2	PC-id_10447307	296.812	KQWDRDOOLPIOTK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034217
ClS(=O)(=O)c1c2-c(c(c1)CC)cccc(C(C)C)c2	PC-id_10447308	296.812	FVDRNKGAPNDIKQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034218
c1(NC(=O)CCCCl)sc2c(CCCCC2)c1C#N	CoCoCo_3705722,MCULE-4904716021,PC-id_4575462,EMOLS-id_2975200	296.816	BUWZJMRRAIYCCS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034219
c1(NC(=O)CCCl)sc2c(CCCCCC2)c1C#N	EMOLS-id_3988872,MCULE-9282462528,CoCoCo_6803012,TIMTEC510677,PC-id_5193388	296.816	VTKAMOBGLIMMQL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034220
c1(NC(=O)C(C)Cl)sc2c(CCCCCC2)c1C#N	MCULE-7476495778,EMOLS-id_37178410,PC-id_71300041	296.816	OPGCHVJYXDQBRZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034221
Clc1cnn(c1C(c1cc2c(s1)CCCCC2)O)C	PC-id_115836746	296.816	MHGLMMYTDCGPGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034222
ClCC(C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_62729395	296.816	PHEXBVLDOIZIRB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034223
N#Cc1c(NC(=O)[C@@H](Cl)C)sc2c1CCCCCC2	PC-id_95970112	296.816	OPGCHVJYXDQBRZ-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-034224
N#Cc1c(NC(=O)[C@H](Cl)C)sc2c1CCCCCC2	PC-id_95970113	296.816	OPGCHVJYXDQBRZ-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034225
Clc1ccsc1CNCc1nnc2n1CCCCC2	MCULE-7534554691,EMOLS-id_318011522	296.819	PJPONOWNAHRLEL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-034226
Clc1csc(c1)CNCc1nnc2n1CCCCC2	EMOLS-id_318754600,MCULE-6687381171	296.819	CZQSKOABECZSJH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-034227
Clc1sccc1CNCc1nnc2n1CCCCC2	MCULE-2916231283,EMOLS-id_318353934	296.819	MLDIMVUAVSUOOR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-034228
Clc1ccc(s1)C(=O)c1cc2c(s1)CCCCC2	PC-id_43463068,EMOLS-id_314071575	296.835	HYQASGWWVINRII-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-034229
Clc1ccsc1C(=O)c1cc2c(s1)CCCCC2	PC-id_80529818,EMOLS-id_314655592	296.835	PPAMAOHIQIGFPO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-034230
ClC(c1sc2c(CCCCC2)c1)c1sc(cc1)C	PC-id_63431015	296.878	WCXNPSYCCYPJGU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-034231
ClC(c1sc2c(CCCCC2)c1)Cc1ccsc1	PC-id_63518113	296.878	VDKHZEGCEWTBLC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-034232
ClC(c1sc2c(CCCCC2)c1)Cc1sccc1	PC-id_55223115	296.878	RCIYZVPWHWOJOO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-034233
BrC1COCCn2c(Br)nnc12	EMOLS-id_106499103,MCULE-2595035037	296.947	BVDSQRIVRFWTPX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034234
c1ccccc2c(ccc1)nnn2I	PC-id_164099091	296.976	XMYIQMALDAFLIG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-034235
C1CNC(CN1)C(=O)ON2C=CC3=C2C=CCSS3	PC-id_153797977	297.061	RXXYMKIHEQNCFD-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-034236
O=C(c1ccc2c(c1)B(O)OC2)N1CCCc2occc2C1	ZINC22_584992247,MCULE-2883604753	297.114	IYABDFKBLHTQSF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034237
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CC1=CC(=O)NN2C(=NN=C2N1C(=O)C)CC3=CC=CC=C3	PC-id_165341727	297.123	SLUGPXOGLXTKPZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-034240
CC(C)(C)OC(=O)N(C)CC1CCCOC2=CSC=C12	PC-id_165145530	297.14	ANXDRWYFNSGTPR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034241
Clc1cncc(c1Cl)CN1CCCc2c(C1)c[nH]n2	EMOLS-id_318950896	297.183	PHNFCARHJCNKFB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034242
CC1=CN2CCN(CCC2=N1)C(C)C3=CC4=C(CCO4)C=C3	PC-id_154685602	297.184	PFTNHUNUIFXACG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034243
CC1=NN2CCN(CCC2=C1)C(C)C3=CC4=C(CCO4)C=C3	PC-id_154685753	297.184	POSFEXNORWQAFV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034244
CC(C1=CC2=C(CCO2)C=C1)N3CCC4=C(CC3)N(N=C4)C	PC-id_154685680	297.184	UKHBZVLFLOTTNV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034245
CC(C1=CC2=C(CCO2)C=C1)N3CCC4=CN(N=C4CC3)C	PC-id_154685722	297.184	PXIXQSDODVSCSF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034246
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CC(C1=CC(=NC)C(=N)C=C1)N2CCC3=CN(N=C3CC2)C	PC-id_154685843	297.195	BNKJZEYLHXVMJD-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-034250
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COCCN(C(=O)c1n[nH]c2c1CCCCC2=O)CP	SCHEMBL15385520,PC-id_89902204	297.29	UCQZJYVXUUSINS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034252
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CCOC(=O)c1cc(c2-c1ccc(cc2)C#N)C(=O)OCC	PC-id_101932166	297.305	IZWPVYJTGXBERV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034254
CCOC(=O)c1cc(c2-c1c(C#N)cccc2)C(=O)OCC	PC-id_101932167	297.305	HSLXULRKOIJFCT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034255
CCOC(=O)c1c(C#N)c(c2-c1ccccc2)C(=O)OCC	PC-id_102514430	297.305	ARIATZSEDZYGCQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034256
CCOC(=O)Cc1c(C#N)c2-c(c1C(=O)OC)ccccc2	PC-id_101453287	297.305	BJTDBEVIULZCEA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034257
N#CCC(=O)c1c(OC)c(c2-c1ccccc2)C(=O)OCC	PC-id_101556526	297.305	YFJXVWMVSVWDCY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034258
o1nc2n(C(CCCC2)CC(=O)CC(N)C(=O)OC)c1=O	PC-id_59974984	297.307	CDIHOWFWRWTZBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034259
o1nc2n(C(CCCC2)C(=O)NCCC(C)C(=O)O)c1=O	PC-id_22901407	297.307	UQFCVUSYTBIWGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034260
o1nc2n(C(CCCC2)C(=O)NCC[C@H](C)C(=O)O)c1=O	PC-id_59923005	297.307	UQFCVUSYTBIWGU-IENPIDJESA-N	00000000100000000101000000000010000000000000000000000000	31-01-034261
O=C(c1cn[nH]c1c1ccco1)N1CCCc2c(C1)cco2	EMOLS-id_316704542	297.309	DRPYHEKOSSLEFI-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-034262
CC(C)NC(=O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89583056,SCHEMBL14969489	297.31	ZSWUITFUKFIGNE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034263
c12CN(CCCn1nc(C#N)c2)Cc1ncccc1C(=O)O	MCULE-1779552379,EMOLS-id_32395006,PC-id_50962296,ZINC22_65398947	297.312	BOQNYDXQUXAMLR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034264
c12CN(CCCn1nc(C#N)c2)C(=O)c1nccc(OC)c1	MCULE-3328161628,EMOLS-id_177502049,ZINC22_584902822	297.312	AJUQSOZYFPHVFC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034265
c1(C(=O)Nc2cccc3nonc23)c2CCCCCc2n[nH]1	STOCK7S-55582,MCULE-1154525902,PC-id_91823542,ZINC22_252507362,EMOLS-id_55728446,EMOLS-id_54883688	297.312	WJDWXQPWBUPKSM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034266
Cn1c(=O)n2CCN(CCc2n1)C(=O)c1cccc(c1)C#N	EMOLS-id_50585873,MCULE-5076066757,PC-id_91922393	297.312	HPCVWCYYNUQGKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034267
N#Cc1ccc(cc1)C(=O)NC1CCn2c(CC1)n[nH]c2=O	EMOLS-id_96926016,MCULE-3481588560,PC-id_110197898	297.312	YFFIFIFVLAPEIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034268
O=C(C1CCn2c(CC1)nnc2)Nc1cccc2c1nco2	MCULE-2132220920,EMOLS-id_257971726	297.312	IHNMNQVSKOMJNZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034269
O=C(c1cn[nH]c1c1ccco1)N1CCCc2c(C1)c[nH]n2	MCULE-2402791381,EMOLS-id_316393714	297.312	XIIXFKSLWBNAHB-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-034270
O=C(c1noc2c1CCCCC2)Nc1ccc2n(c1)cnn2	EMOLS-id_100136152	297.312	PYUPCNJGXYZLBU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034271
O=C(c1noc2c1CCCCC2)Nc1cnc2n(c1)ccn2	EMOLS-id_316708384	297.312	QRQOXBDTHVZTJV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034272
O=C(NC1CCc2n[nH]c(=O)n2CC1)c1cccc(c1)C#N	PC-id_110197899,MCULE-8434816761,EMOLS-id_96926020	297.312	KJBBWVIPTJRLJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034273
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2n(c1)nnn2	EMOLS-id_319744676	297.315	DIZKEXXIBNSKLO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034274
Cc1nc2c(C(=O)N3CCCn4nncc4C3)ccnc2[nH]1	EMOLS-id_316991850,PC-id_136559993,MCULE-1661890472,ZINC22_899334944	297.315	KKGHGNVJOWHLEL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034275
N#Cc1ccc(cc1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102025471	297.315	VCLAJHBAOZTUJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034276
N#Cc1cccc(c1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102027310	297.315	FDQBYIPCRZZFSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034277
N#Cc1ccc(nc1C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164563	297.315	KLWGAIXPVZYPKC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034278
O=C(c1ccc2c(c1)nc[nH]2)NC1CCn2c(CC1)nnn2	EMOLS-id_102162763	297.315	CCSXJNOVUCBMHY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034279
O=C(c1ccc2n(c1)ccn2)NC1CCn2c(CC1)nnn2	EMOLS-id_102160378	297.315	AOOBOQKMIMFUGJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034280
O=C(c1ccc2n(c1)cnc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102176579,MCULE-9709803188	297.315	ANQOGSGYAMCPJI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034281
O=C(c1cccc2c1cn[nH]2)NC1CCn2c(CC1)nnn2	EMOLS-id_102166366	297.315	NBWKGCBOEXHWFL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034282
O=C(c1cccc2c1nc[nH]2)NC1CCn2c(CC1)nnn2	EMOLS-id_102182406	297.315	MNNGGJDUEQGSBZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034283
O=C(c1cccc2c1[nH]nc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102166378	297.315	PKIXUUDRJWLCGZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034284
O=C(C1CCn2c(CC1)nnc2)Nc1cnc2n(c1)ccn2	EMOLS-id_278212092	297.315	JEOYABFIMHCIOV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034285
O=C(c1cnc2c(c1)cc[nH]2)NC1CCn2c(CC1)nnn2	EMOLS-id_102175445	297.315	BEOKYKZWSICLBC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034286
O=C(c1cnn2c1cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102160339	297.315	FNNLXBNFKOHSDP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034287
O=C(c1nc2n(c1)cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102168133	297.315	PBFBRVQZINSIGP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034288
O=C(c1n[nH]c2c1cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102170018	297.315	UZOWHCNVOQZMMY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034289
O=C(N[C@@H]1CCc2nnnn2CC1)c1ccc2cncn2c1	ZINC22_333656718	297.315	ANQOGSGYAMCPJI-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034290
O=C(N[C@H]1CCc2nnnn2CC1)c1ccc2cncn2c1	ZINC22_333656725	297.315	ANQOGSGYAMCPJI-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-034291
O=C(c1ccsc1C(F)F)N1CCCc2n[nH]cc2C1	MCULE-4290515203,ZINC22_826796350,EMOLS-id_313189443	297.324	RGSPNSUNWBOTGK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-034292
Fc1cc(F)c(nc1Sc1nnc2n1CCCCC2)N	PC-id_108369852	297.327	NENKWEVSBIGMFL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034293
s1c(/N=N/c2c3-c(cc2)ccccc3)ncc1C(=O)OC	PC-id_12104208	297.332	KBHZKEXSIPDMSP-ISLYRVAYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-034294
S(Cc1ccc([N+](=O)[O-])cc1)c1nc2-c(n1)ccccc2	PC-id_13849742	297.332	DFELUGOASRXFLS-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-034295
CCn1ncc(n1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320122845,MCULE-7114274148	297.337	LAOHAWINOALENJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034296
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCCC1)C(F)F	EMOLS-id_318944027	297.344	UXFOMUYMRSYEBU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034297
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCC(C1)(F)F	EMOLS-id_319657102	297.344	BVLMZFBMEREMNT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-034298
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1CCCC1(F)F	EMOLS-id_319756823	297.344	NEBYJEOHBPQIFA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034299
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1CCC(C1)(F)F	MCULE-4810311540,EMOLS-id_319960343	297.344	CDNWQZDCXVPORV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034300
c12c(OCC)cccc(=O)c1c(n(Cc1ccco1)c2C)C	EMOLS-id_1446635,MCULE-6712566620,PC-id_672059,CHEMBL1378036,ZINC22_33681,ChEMBL-DNDi_CHEMBL1378036,BAS-04212428,CoCoCo_314862	297.348	ISHXVLZPDPGYPV-UHFFFAOYSA-N	00000000101000000110000000000010000000000000000000000000	31-01-034301
COC(=O)C1CCCCn2c1ccc2C(=O)c1ccccc1	SCHEMBL11198373,PC-id_13487028	297.348	WLPKOODZHRZZNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034302
COC(=O)C1CCCCn2c1cc(c2)C(=O)c1ccccc1	SCHEMBL11200898,PC-id_20484249	297.348	MQMPKCAMAFBTCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034303
NC(=O)c1nc2CCN(CCc2s1)C(=O)C1(F)CCC1	EMOLS-id_313792566,ZINC22_1565554353	297.348	PHMVCKMWUCVCOI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-034304
Oc1ccc(cc1)C1(CC1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319212226	297.348	MXTNHWUMWJDWJT-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-034305
Oc1cccc(c1)[C@@H]1C[C@H]1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_101676038	297.348	YOUXJVXYPNLPRT-JKSUJKDBSA-N	00100000100000110100100000000010000000000000000000000000	31-01-034306
OC(=O)C1c2n(CCCC1)c(c(c2)C)C(=O)c1ccccc1	SCHEMBL11195382,PC-id_20483742	297.348	NHBNQFCJWLJZBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034307
OC(=O)C1CCCCn2c1ccc2C(=O)c1cc(ccc1)C	SCHEMBL11194406,PC-id_20483838	297.348	SMIRNPXXXKMPEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034308
OC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(cc1)C	SCHEMBL11198770,PC-id_20483688	297.348	DWRQZCGVHSUALI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034309
OC(=O)C1CCCCn2c1ccc2C(=O)c1c(cccc1)C	SCHEMBL11202984,PC-id_20483763	297.348	YRADJNFZENTXAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034310
c12CN(C(COc1n(nc2C)C)CO)C(=O)OC(C)(C)C	MCULE-2982461645,EMOLS-id_264817712	297.35	GIAZLHDSXJGMRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034311
CC(c1nnc2n1CCC(CC2)C(=O)OC)OCCOC	EMOLS-id_316950860,MCULE-4486909696,PC-id_136557110	297.35	LLGPUVHMOPEDQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034312
CCN(CC1CCCCCc2n1c(=O)on2)CCC(=O)O	PC-id_141976389	297.35	KTMIDNXLHUDXTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034313
COCCO[C@H](C)c1nnc2n1CC[C@H](C(=O)OC)CC2	ZINC22_601043983	297.35	LLGPUVHMOPEDQE-GHMZBOCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034314
COCCO[C@H](C)c1nnc2n1CC[C@@H](C(=O)OC)CC2	ZINC22_601043985	297.35	LLGPUVHMOPEDQE-MNOVXSKESA-N	00000000100000000101000000000010000000000000000000000000	31-01-034315
COCCO[C@@H](C)c1nnc2n1CC[C@@H](C(=O)OC)CC2	ZINC22_601043986	297.35	LLGPUVHMOPEDQE-QWRGUYRKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034316
COCCO[C@@H](C)c1nnc2n1CC[C@H](C(=O)OC)CC2	ZINC22_601043988	297.35	LLGPUVHMOPEDQE-WDEREUQCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034317
o1nc2n(C(CCCC2)CCN(C(C)(C)C)C(=O)O)c1=O	PC-id_69898975,SCHEMBL6798491	297.35	WBQBLUFJYGHUNF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034318
o1nc2n(C(CCCC2)CCNC(=O)OC(C)(C)C)c1=O	PC-id_9926223	297.35	JUZDSDJROSSWJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034319
o1nc2n(C(CCCC2)CN(CC(C)C(=O)O)CC)c1=O	PC-id_72611607	297.35	ZHKFCDDQOFENHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034320
o1nc2n(C(CCCC2)CN(C[C@H](C)C(=O)O)CC)c1=O	PC-id_59974981	297.35	ZHKFCDDQOFENHA-VUWPPUDQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034321
O=C(c1c2-c(c(c1C)C#N)ccccc2)/C=C/c1ccccc1	PC-id_11150652	297.35	GATWCBPRZOZQCM-OUKQBFOZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-034322
O=C(c1c2-c(c(c1C)C#N)ccccc2)C=Cc1ccccc1	PC-id_85416802	297.35	GATWCBPRZOZQCM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-034323
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1Cc2c(O1)cccc2	EMOLS-id_319378524	297.352	DTAATRHXZUNNMV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034324
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)COC2	EMOLS-id_319362489	297.352	XNPNMUHNBMUKHQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034325
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)OCC2	EMOLS-id_319433486	297.352	MXHFKPZFAZNKLO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034326
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2c1OCC2	EMOLS-id_318912075	297.352	QUJSDJDUWKQCPZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034327
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1COc2c1cccc2	MCULE-1408919586,EMOLS-id_320243737	297.352	XHGGMEODYLTRKW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034328
CC(=O)c1cccc(NC(=O)c2n[nH]c3CCCCCc23)c1	MCULE-6296929011,EMOLS-id_323249591	297.352	FIKCEAQERNUXPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034329
CC(=O)c1ccc(NC(=O)c2c3c(CCCCC3)[nH]n2)cc1	MCULE-7003518612,EMOLS-id_323248824	297.352	YRVFFFGRAJGMLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034330
CCOC(=O)CNc1nc2-c(c1C#N)cc(ccc2)C(C)C	PC-id_15078726,SCHEMBL9158003	297.352	OWJRAJQCKVXXPL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034331
N#CC1(CCOCC1)CCCn1c(=O)nc2-c1ccccc2	EMOLS-id_319647925	297.352	KLTBWONVLVNDBC-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-034332
O=C(c1ccc2c(c1)OCC2)N1CCCc2c(C1)cnn2C	EMOLS-id_319086726	297.352	LQTVDZRYBROUCV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034333
O=C(c1cccc2c1COC2)N1CCCc2c(C1)cnn2C	EMOLS-id_319840439,MCULE-9262157414	297.352	JFGNCBQPWURIQO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034334
O=C(c1noc2c1CCCCC2)N1CC(C1)c1ccccn1	EMOLS-id_316593591	297.352	SDIARKZTLUDKRO-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-034335
O=C(Cn1c(=O)nc2-c1ccccc2)NC(C1CC1)C1CC1	EMOLS-id_319835545,MCULE-2305235815	297.352	ZOCIDKMDAJUDLU-UHFFFAOYSA-N	00100010100000000111000000000010000000000000000000000000	31-01-034336
O=C(N1CCc2c(C=C1)c(n(n2)C)C)OCc1ccccc1	PC-id_59008411,SCHEMBL12749923	297.352	LYRSCGLYJLIWAA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-034337
O=C(N1CCc2c(CC1)nc[nH]2)Oc1ccc2c(c1)CCC2	PC-id_142022565	297.352	WMBZEXBQSXFIGZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034338
O=C(N1CCCc2c(C1)cco2)c1ccc(nc1)NC1CC1	EMOLS-id_318513747	297.352	WKELXQXMWDBEHE-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-034339
O=C(N1CCCc2c(C1)cco2)Nc1ccc2c(c1)CCN2	EMOLS-id_101818284	297.352	RFGUFQWZRFGVQZ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-034340
CC([C@H]1CNc2c(ncn2CO1)C(=N)N)OC(C)(C)OC	SCHEMBL10136219,PC-id_136488735	297.353	ZXJRCACLONMVRZ-YGPZHTELSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034341
CN(C)CC(=O)N1CCCn2nnc(COCCO)c2C1	EMOLS-id_46181717,ZINC22_96084355,PC-id_97405182	297.353	RAXWIRXJUWHVBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034342
N(=Nc1ccc2-c(ccc2)cc1)c1c2-c(cc1)ccc(N)cc2	PC-id_11460703	297.353	MMEWTZZSYMEIFM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034343
O(C(C1OCn2c(=NC1)c(=C(N)N)nc2)C)C(OC)(C)C	PC-id_77399931	297.353	DUSWFNNONLRTEP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-034344
O(C([C@@H]1OCn2c(=NC1)c(=C(N)N)nc2)C)C(OC)(C)C	PC-id_68043925	297.353	DUSWFNNONLRTEP-YGPZHTELSA-N	00000000100000000111000000000010000000000000000000000000	31-01-034345
c12CN(CCCn1nc(C#N)c2)Cc1ccc(nc1)OCC	ZINC22_584884653,EMOLS-id_177361866,MCULE-1935321528	297.355	BIGUUXWXIHYCLB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034346
C1CCc2n(CC1)c(nn2)CCNc1nc2c(o1)cccc2	PC-id_45833657,EMOLS-id_32026830	297.355	MUFWXHPIBZPDOO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034347
c1ccn(c1)Cc1nnc2n1CCN(CC2)Cc1ccco1	PC-id_97405791	297.355	NLYTVMFRPBDLHN-UHFFFAOYSA-N	00000000111000000101000000000010000000000000000000000000	31-01-034348
c1ccn(c1)Cc1nnn2c1CN(CCC2)Cc1ccco1	PC-id_97405533	297.355	XLVGZWIKJJHACR-UHFFFAOYSA-N	00000000111000000101000000000010000000000000000000000000	31-01-034349
c1ccn(Cc2nnc3n2CCCN(Cc2ccoc2)C3)c1	PC-id_97519718,EMOLS-id_44370820,ZINC22_96259636,CHEMBL3554694	297.355	UGXNNKROHQAKCL-UHFFFAOYSA-N	00000000111000000101000000000010000000000000000000000000	31-01-034350
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s1c2CCCCCc2cc1C(=O)N(CC(O)COC)C	PC-id_61581380	297.413	FQXHEKOROIZGOX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034533
s1c2CCCCCc2cc1C(=O)NC(C(OC)OC)C	PC-id_64386618	297.413	GYBPSULWJKPDHT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034534
s1c2CCCCCCc2cc1C(=O)N(CCO)CCO	PC-id_60653463	297.413	UGOSREJCLVQKRB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034535
s1c2CCCCCCc2cc1C(=O)NCCOCCO	PC-id_60654491	297.413	SCSZRTPJJVWRNV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034536
s1c2CCCCCCc2cc1C(=O)NCC(O)COC	PC-id_64285878	297.413	RKBBCIZAGCUSKV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034537
s1c2CCCCCCc2cc1C(=O)NCC(O)(CO)C	PC-id_66170699	297.413	QZERLQWJBHLLHG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034538
s1c2CCCCCCc2cc1C(=O)NC(CO)(CO)C	PC-id_81964528	297.413	RJUIYAGCMMAILO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034539
s1c2C(CCN(Cc2cc1)C(=O)OC(C)(C)C)CCO	PC-id_71305556	297.413	PRZDVXPBLQBAGL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034540
s1c2c(n(c1=O)CC(=O)O)CCCCCCCCCC2	PC-id_43286838	297.413	VXLQUGWHTPOZIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034541
s1c2c(N(CCC(OCC)OCC)C(=O)CCC2)cc1	PC-id_63748982	297.413	SSHFAIRNDZXAGJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034542
NC(c1cc2c(o1)cccc2)c1cc2c(s1)CCCCC2	PC-id_105044177	297.415	WFZRSFWENZMKIK-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-034543
O=C(c1cc2c(s1)CCCCC2)N1CCc2ccccc12	ZINC22_12896513,PC-id_17488919,MCULE-1766268684,CoCoCo_3351991,EMOLS-id_15272807	297.415	KENYQUDBXPKPFG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-034544
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s1cc(Cn2cc3C(O)CCCCc3c2)c2c1cccc2	PC-id_83211752	297.415	NJTUGKFVIIVUGV-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-034547
S1C(Cn2cc3CCCCC(=O)c3c2)Cc2c1cccc2	PC-id_83206259	297.415	COBKJNYRHWOCDJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-034548
C1CCc2nnc(SCCOC[C@H]3CCCO3)n2CC1	PC-id_96517442,ZINC22_78932438	297.416	PPWBAAUPNSQLNG-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034549
C1CCc2nnc(SCCOC[C@@H]3CCCO3)n2CC1	ZINC22_78932432,PC-id_96517440	297.416	PPWBAAUPNSQLNG-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034550
c1(C(=O)N[C@H](CO)CCSC)c2CCCCCc2[nH]n1	MCULE-5642484390,EMOLS-id_323880681,EMOLS-id_55725918,STOCK7S-53958,PC-id_110204682,ZINC22_253405765	297.416	ILQNLDBQDMFQSQ-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-034551
c1(NC(=O)NCCCOC)sc2c(CCCCCC2)n1	EMOLS-id_30600950,MCULE-9358499563,PC-id_50798974	297.416	YQLOJCDRGARLMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034552
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CC1CCCC1	MCULE-4940138667,EMOLS-id_319843786	297.416	WFUGYDUCKSTKTH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034553
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CCC1CCC1	MCULE-7028200462,EMOLS-id_320081807	297.416	FKWWFDZOGDWBEB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-034554
CC1CN(CC2CCS(=O)(=O)CC2)Cc2c(C1)[nH]nc2	EMOLS-id_319207812	297.416	CNRWQZSZCNTRBC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-034555
CCCCC(C(=O)OC)Sc1nnc2n1CCCCC2	PC-id_115608232	297.416	PWMDJSPTHACAOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034556
C[C@@H]1C[C@@]1(C)S(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319119274	297.416	SQEYDUWDMZJCCD-QMTHXVAHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-034557
C(CSc1nnc2n1CCCCC2)OCC1CCCO1	MCULE-9783985495,PC-id_71995696,EMOLS-id_49056532	297.416	PPWBAAUPNSQLNG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034558
Cn1ncc2c1CCCN(C2)S(=O)(=O)CC1CCCC1	EMOLS-id_101948631	297.416	QJADGCWPJKJLSG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034559
Cn1ncc2c1CCCN(S(=O)(=O)CCC1CCC1)C2	MCULE-2015177347,ZINC22_333448686,EMOLS-id_101950995	297.416	XEXYUUAVVADAEK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-034560
CNCC(C(C(=O)Nc1nc2c(s1)CCCCC2)C)O	EMOLS-id_319769321	297.416	OJNKUOURVUWHOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034561
COCCNCC(=O)Nc1sc2c(n1)CCCCCC2	MCULE-7213491292,EMOLS-id_302127919,PC-id_119743835	297.416	AOVYDOSTVMDJOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034562
CSCC[C@H](O)C(=O)NCc1n[nH]c2c1CCCCC2	PC-id_99958011,ZINC22_216451564	297.416	CXROGORHZAHDJZ-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034563
CSCC[C@@H](O)C(=O)NCc1n[nH]c2c1CCCCC2	PC-id_99958015,ZINC22_216451614	297.416	CXROGORHZAHDJZ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034564
CSCCC(O)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-1258021161,PC-id_77097289,EMOLS-id_50548989	297.416	CXROGORHZAHDJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034565
NCC(CC(=O)Nc1sc2c(n1)CCCCCC2)OC	PC-id_120589904,MCULE-5559729098,EMOLS-id_302378176	297.416	PYPZLRUGXLZTKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034566
OCC(NC(=O)Nc1sc2c(n1)CCCCCC2)(C)C	EMOLS-id_111890123	297.416	YNDSNYKNXCRGCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034567
O=C(Nc1sc2c(n1)CCCCCC2)NCC(O)(C)C	EMOLS-id_111890117	297.416	KPMGMCKCFIQMLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034568
O=C(OC(C)(C)C)CCSc1nnc2n1CCCCC2	PC-id_115580544	297.416	BKLZRAUCHRWLRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034569
O=C(OC(C)(C)C)NC(c1nc2c(s1)NCCCC2)C	PC-id_15069548,SCHEMBL8316542	297.416	UMAIYWPQTCKHCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034570
O=C(OC(C)(C)C)NCCc1nc2c(s1)NCCCC2	PC-id_15069547,SCHEMBL8315026	297.416	LDKVLNYHJPWYDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034571
O=S1(=O)CCc2nnc(CCC3CCCCC3)n2CC1	ZINC22_630951963,MCULE-8316619338,EMOLS-id_313165378	297.416	SCRLXRJXWNCHOS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-034572
S(c1n2CCCCCc2nn1)CCCC(C)(C)C(=O)O	PC-id_65259923	297.416	IJFWDORCAFVVHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034573
S(c1n2CCCCCc2nn1)C(CCC)C(=O)OCC	PC-id_79012070	297.416	NUHOVBRKKIFBTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034574
S(c1n2CCCCCc2nn1)C(C(=O)OC(C)(C)C)C	PC-id_64686498	297.416	PZZGBXKYZGPEAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034575
NC1CCCCc2c1cn(c2)Cc1nc2c(s1)cccc2	PC-id_104631621	297.418	GYJDFMIXKYPSHI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034576
Nc1nc2c(s1)CCN(CC2)CC1=Cc2c(C1)cccc2	SCHEMBL7286246,PC-id_19985975	297.418	CRKSRIXONULYDA-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-034577
CCOC1CC(C1SC)NC1CCn2c(CC1)nnn2	EMOLS-id_102002538	297.42	QCPDNHDSXNJISN-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-034578
S(c1n2CCCCCc2nn1)CCCCCC(=O)NN	PC-id_64291673	297.42	OVCOEDFHVPQQQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034579
S(c1n2CCCCCc2nn1)CCCC(N)(C)C(=O)N	PC-id_61932977	297.42	IOWMUTRXSLNCRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034580
S(c1n2CCCCCc2nn1)CCC(NCC)C(=O)N	PC-id_63034326	297.42	WEYDKWCQFVONNA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034581
S(c1n2CCCCCc2nn1)CC(NCCC)C(=O)N	PC-id_61933186	297.42	DOIBWLZRSNTSKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034582
S(c1n2CCCCCc2nn1)CC(NC(C)C)C(=O)N	PC-id_61933188	297.42	NPWCMTXFAPKFKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034583
S(CCC(C)(C)/C(=N/O)/N)c1n2CCCCCc2nn1	PC-id_65251625	297.42	KWILTBQEHYAQJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034584
S(CCC(NC)(C)C(=O)N)c1n2CCCCCc2nn1	PC-id_61935632	297.42	ZORCWOHLBXTPOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034585
S(C(CC(N)(C)C(=O)N)C)c1n2CCCCCc2nn1	PC-id_64709139	297.42	AIUNGKAOYSDYEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034586
S(CC(NCC)(C)C(=O)N)c1n2CCCCCc2nn1	PC-id_61935641	297.42	IQMAMCKBKCVNBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034587
C(CCN1CCCc2c(C1)occ2)CCCc1ccccc1	SCHEMBL8434606,PC-id_19600068	297.434	BWUPCFGFZMTJHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034588
O=C(NCCCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)C	PC-id_85664767	297.434	PAUZQMKTLDTFMF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034589
O=S1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_102536888	297.436	PWNUUKWBIDXJMQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-034590
Cc1ccc(cc1)C(c1nnc2n1CCCCCC2)C(C)C	SCHEMBL4536443,PC-id_10379893	297.438	KWBNWGSILAPBSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034591
CC(Cc1ccc(cc1)Cc1nnc2n1CCCCCC2)C	PC-id_142840545	297.438	DAQJRXVWUYLEQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034592
CCC(C(c1nnc2n1CCCCCC2)c1ccccc1)C	PC-id_10447360,SCHEMBL4520708	297.438	JBZHMYSNSSSPFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034593
N#Cc1cccc(c1)C[NH2+]Cc1cc2c(s1)CCCCC2	GD-id_ZINC51188894	297.438	KOIDQPMWEIWSQH-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-034594
CNC1C(=O)N(CCc2c1scn2)CC1CCCS1	PC-id_23554637,SCHEMBL14171169	297.439	NNHZOKRVMQOREC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034595
CNC1C(=O)N(CCc2c1scn2)CC1CSCC1	PC-id_23554641,SCHEMBL14171176	297.439	QQEOCFYSEVQGIJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034596
O=C(C1NCSC1)Nc1sc2c(n1)CCCCCC2	MCULE-1918391877,PC-id_119300541,EMOLS-id_301458736	297.439	PBXVEAPDKOHNPO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034597
O=C(Nc1nc2c(s1)CCCCC2)NC1CSCC1	PC-id_102558473	297.439	SDMIPQVTIXIYEZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034598
s1c2CCCCCCc2cc1C(=O)NNC(=S)NC	PC-id_8788561	297.439	YBXGBSKFOPMEMK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034599
CC(C)(C)c1c(c2-c(c(cccc2)[Si](C)C)c1C=O)C=O	PC-id_89545284	297.444	ZNQKGVWLQMYDGQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034600
s1c2c(CCCCC2)c(OCC(O)CNC(C)(C)C)c1	PC-id_10518138	297.456	GCTPPMIXAXOFBD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034601
NC(C1CC1c1ccccc1)c1cc2c(s1)CCCCC2	PC-id_105052684	297.458	OZKVEHCOFNTLGK-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-034602
NC(c1cc2c(s1)CCCCC2)CC1Cc2c1cccc2	PC-id_105003714	297.458	UEXUOZHXWAYBMM-UHFFFAOYSA-N	00001000100000100100001000000010000000000000000000000000	31-01-034603
s1c2c(CCCCC2)cc1C(N)c1cc2CCCc2cc1	PC-id_43464482	297.458	BPHGLFDMRUWMBZ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-034604
s1c2CNCCNCCNCCNCCNCc1cc2	PC-id_10565947	297.463	DDUONAHKHHQNHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034605
S(c1n2CCCCCc2nn1)CCNCCCN(C)C	PC-id_62579437	297.463	ULPZFSPNVIGAAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034606
C1CCc2[nH]nc(CNC3CSCCSC3)c2CC1	EMOLS-id_36432624,MCULE-3078327738,PC-id_56706517,ZINC22_67695153	297.483	GOHAMLGBTSEEJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034607
S(CC1(CCCC1)CS)c1n2CCCCCc2nn1	PC-id_80040954	297.483	RYGCTQCULDBNME-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034608
Clc1ccc(s1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102169979	297.764	JEOQMUPYPDRQAC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-034609
Clc1cnc(s1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319161738	297.764	VEHSRFFTNNCSQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034610
Clc1c(=O)[nH]cnc1Sc1nnc2n1CCCCC2	PC-id_114791011	297.764	JVKOMGKFWQOZMV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-034611
Clc1scc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179591	297.764	AVPNHZSUZFNOKS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-034612
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ClCCCCCn1c2c(/C(=N/O)/CCN(C2=O)C)cc1	PC-id_10827899	297.78	ZYQYNSUTNRJMAA-FOWTUZBSSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034615
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ClCCCCn1c2c(/C(=N/OC)/CCN(C2=O)C)cc1	PC-id_10565952	297.781	IGHOECPURNNEPB-FOWTUZBSSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034617
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ClCCO/N=Cc1[nH]c2c(c1)CCCCCC2C(=O)N	PC-id_143751706	297.781	FVFRNPAUROXEAA-MFOYZWKCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034621
ClC1CCC(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319597004	297.784	YVANPJXZYJOHNA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-034622
Clc1cnc(s1)CNCc1nnc2n1CCCCC2	MCULE-1028267368,EMOLS-id_318138176	297.807	INPBLIIBYZGOAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034623
Clc1csc(n1)CNCc1nnc2n1CCCCC2	EMOLS-id_318427892,MCULE-4595963442	297.807	GXAMRDNBCUFTSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034624
ClC1CCCC1NC(=O)c1cc2c(s1)CCCCC2	PC-id_106444061	297.843	FFUNEUSXNSCFGI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-034625
ClC1CCC(CC1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319222980	297.843	CWYAHQJQAYLNEM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-034626
ClC1CCCN(C1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63393004	297.843	IHLKDRVEPXUYOA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-034627
ClC1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63390497	297.843	RTXATXQRJSXGAI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-034628
ClC(C1CC1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_114305071	297.843	KDFWSRJHZAGGBE-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-034629
ClCC1(CCC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_113509630	297.843	QNSRCOFWTWFBDL-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-034630
ClCC1CCN(C1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63395694	297.843	GKWCFBFETWEIOR-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-034631
ClCC1(CNC(=O)c2cc3c(s2)CCCCC3)CC1	PC-id_115456131	297.843	UIPCFRUDKWQQIE-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-034632
ClCC1N(CCC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63394851	297.843	WHJQOIXUXSVLGO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-034633
ClCCN(C1CC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63394700	297.843	ASGURSPFTLQSGC-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-034634
Clc1c(scc1)C(N)c1sc2c(CCCCC2)c1	PC-id_80529799	297.867	OLQJCGUSNWYMQJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-034635
Clc1sc(C(N)c2sc3c(CCCCC3)c2)cc1	PC-id_43384457	297.867	FYMGKTNCPVDGHF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-034636
Clc1ccc2-c(c(=O)[nH]c2SC[Si](C)(C)C)cc1	PC-id_24814335	297.876	VDLZYUNSPLDAAJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034637
C1C#CC=C(c2c1cc(n2I)C#N)F	PC-id_163973491	297.94	SSBKNXOPHQMZEQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-034638
OC(=O)c1c(I)cc2-c1ccccc2	PC-id_121217182	298.077	QXMLSJQRPMRRJV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034639
CC1=NSC2=C1NC(=O)C(CN2)N(C(=O)O)C(C)(C)C	PC-id_155069317	298.11	QGXCHKZCELPHPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034640
CC1=NSC2=C1NC(=O)[C@H](CN2)N(C(=O)O)C(C)(C)C	PC-id_155069315	298.11	QGXCHKZCELPHPD-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034641
C[C@H](C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)OC=C4	PC-id_164991458	298.114	HFTDTXUGRUCNHJ-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034642
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)N=CN4	PC-id_154685730	298.125	VCWBKVYCHFCEPT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034643
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)NN=C4	PC-id_154685598	298.125	WHFRFPBRSKLREV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034644
C1CCC2=NOC(=O)N2C(C1)C(=O)NCC[C@@H](C(=O)O)N	PC-id_152897516	298.128	UERGNTOIYCRSEF-JAMMHHFISA-N	00000000100000000101000000000010000000000000000000000000	31-01-034645
CC/C(=CC)/C1=CC(=O)OC(=CC2=C(C=C1C)C(=CO2)C)C	PC-id_154968522	298.157	XLRPTULJSYLLGY-WOWJFENKSA-N	00000000100000000110000000000010000000000000000000000000	31-01-034646
CC(C(=O)c1c2-c(ccccc2)n(c1=O)C)N1CCCCC1	PC-id_164186635	298.168	MXPIZIGIDHJFAR-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-034647
CN(CCc1sc2=CCC=CC=c2c1Br)C	PC-id_143183662	298.242	KMLTWEYFPSBEQK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-034648
C1CN(CCn2c1n[nH]c2=O)Cc1cc(c(c(c1)F)F)F	PC-id_91910599,EMOLS-id_50585837,MCULE-7527390171	298.264	UJVOBPQIUJSTSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034649
O=C(c1cccc2[nH]c(=O)oc12)N1CCCc2occc2C1	EMOLS-id_177250691,ZINC22_289301534,MCULE-9048310217	298.293	VJODBBVHNULIJW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034650
CC(=O)N1CC(=O)Nc2c(C1=O)cnn2Cc1ccccc1	PC-id_137175899	298.297	SNJJAJHBWCXDGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034651
FC(F)(F)C(O)(O)c1c2-c(c(c1)C)cc(C(C)C)ccc2	PC-id_85924791	298.3	SZKXYWZAQDBOGW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034652
O=C(c1onc2c1cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_319415358	298.3	NGIKMDZKIMMCPI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034653
COc1ccccc1/C=N/NC1=NNC(=N)Cc2ncnn12	ZINC22_3772509,EMOLS-id_207352773,TOSLab_7309,PC-id_17037420,TOSLab_4820	298.303	FVBPUBNPGNDVJH-FRKPEAEDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-034654
COc1ccc(/C=N/NC2=NNC(=N)Cc3ncnn23)cc1	EMOLS-id_93417192,ZINC22_6006170,PC-id_121238178	298.303	ZMBRJFJNMGTIRW-FRKPEAEDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-034655
n12ncnc1CC(=N)NN=C2NN=Cc1ccccc1OC	MCULE-9006387549,PC-id_1493561	298.303	FVBPUBNPGNDVJH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-034656
n12ncnc1CC(=N)NN=C2NN=Cc1ccc(cc1)OC	MCULE-9495415798,PC-id_1493517	298.303	ZMBRJFJNMGTIRW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-034657
O(c1c(C=NNC2=NN=C(N)Cc3n2cnn3)cccc1)C	PC-id_3747587	298.303	JLFZQMYZENPNES-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-034658
O=C(c1cnn2c1cccn2)NC1CCn2c(CC1)nnn2	EMOLS-id_102179648	298.303	LZZCKHPOXKSEDJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034659
CCOC(=O)c1sc(c2c1OC=CCO2)C(=O)OCC	PC-id_21022207,SCHEMBL5731009	298.312	BNJKCEJOIPFIRM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-034660
c12NC(=O)CCCc1sc(CCC(=O)OC)c2N(=O)=O	SCHEMBL18742245,CK1921929,EMOLS-id_317517157,MCULE-5629982031,ZINC22_4005745,PC-id_6612415	298.315	QRWUSQQFQZBVMQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034661
C1CCc2nnc(n2CC1)/C(=C(/c1ccc(cc1)F)O)/C#N	PC-id_135576942,CoCoCo_3735131	298.315	LEDRLGSBYQKFFQ-SQFISAMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034662
COC(=O)CC1C(=O)Nc2c(CN1C(=O)O)cc(s2)C	SCHEMBL19260509	298.315	TYMJCIHZNRFJKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034663
COC(=O)C[C@H]1C(=O)Nc2c(CN1C(=O)O)cc(s2)C	SCHEMBL19260506	298.315	TYMJCIHZNRFJKX-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034664
Fc1ccc(C(=O)/C(=C/N3CCCCCC3=NN2)/C#N)cc1	PC-id_6298861	298.315	DDNZSLFPYJJRGZ-DTQAZKPQSA-N	00000011000000110111000000000010000000000000000000000000	31-01-034665
Fc1ccc(C(=O)C(=C2N3CCCCCC3=NN2)C#N)cc1	PC-id_6848410	298.315	DDNZSLFPYJJRGZ-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-034666
Fc1ccc(C(=O)C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_7741420	298.315	SKWWHPLOBRWHLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034667
N#Cc1ccc(c(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)F	EMOLS-id_318927842	298.315	VZBZGOADEUMILO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034668
N#Cc1cc(ccc1F)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845261	298.315	VHYCRVQCTNOXFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034669
N#Cc1ccc(c(c1)F)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319100727	298.315	SVYAMKAAGLRPQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034670
N#Cc1cc(ccc1F)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-8308473919,EMOLS-id_319869092	298.315	KUJPGWIBRRPNGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034671
N#Cc1ccc(c(c1)NC(=O)c1cnc2n1CCCCC2)F	EMOLS-id_316492180	298.315	QCDRDLYNBKEADK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034672
N#C/C(=C(/c1ccc(cc1)F)O)/c1nnc2n1CCCCC2	CoCoCo_3735132	298.315	LEDRLGSBYQKFFQ-FYWRMAATSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034673
N#CC(=C(c1ccc(cc1)F)O)c1nnc2n1CCCCC2	EMOLS-id_26168596,MCULE-4338689201	298.315	LEDRLGSBYQKFFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034674
N#C[C@H](C(=O)c1ccc(F)cc1)c1nnc2n1CCCCC2	PC-id_51694651,ZINC22_35467978	298.315	SKWWHPLOBRWHLS-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034675
N#C[C@@H](C(=O)c1ccc(F)cc1)c1nnc2n1CCCCC2	ZINC22_35467980	298.315	SKWWHPLOBRWHLS-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034676
Cn1cnc(c1)S(=O)(=O)N1CCn2c(CC1)n[nH]c2=O	PC-id_110197872	298.322	IIJOTQAAPXYKFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034677
O=C(c1noc2c1CCCCC2)N1CCC(C(C1)C)(F)F	EMOLS-id_102732119	298.328	VTKKDSXYTUZIBX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-034678
O=C(c1noc2c1CCCCC2)NCC1CCCC1(F)F	EMOLS-id_101296266	298.328	JSXUJFJBUPDUIC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034679
O=C(NCCC1CC(F)(F)C1)c1noc2c1CCCCC2	ZINC22_333715447,EMOLS-id_101509023	298.328	HCZGOQFFSYBEAO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-034680
O=C(NC[C@@H]1CCCC1(F)F)c1noc2c1CCCCC2	ZINC22_333069387	298.328	JSXUJFJBUPDUIC-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-034681
O=C(NC[C@H]1CCCC1(F)F)c1noc2c1CCCCC2	ZINC22_333069388	298.328	JSXUJFJBUPDUIC-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034682
FC(CN1CC(C1)C(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_316199468,MCULE-1086191113	298.332	HPXSUTBCNUGPDB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-034683
O=C(C1CCn2c(CC1)nnc2)NC1(CCCC1)C(F)F	MCULE-1988478042,EMOLS-id_320210799	298.332	LYGLNIYKOPVRFR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034684
O=C(C1CCn2c(CC1)nnc2)NCC1CCC(C1)(F)F	EMOLS-id_319837922,MCULE-2626055378	298.332	GVNZPRVXBYKPBM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034685
Brc1c(OC2CCNCc3oc(cc23)C)cccc1	PC-id_68422405	322.197	VPOMKXURHHSAJJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053266
O=C(N1CCCc2c(C1)cnn2C)NCC1CC(C1)(F)F	EMOLS-id_101696135	298.332	BRLJGNYRUSLREN-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-034686
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccccc2C=C)CC	PC-id_86195333	298.333	JAHJSWBNOWCDDP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034687
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(cc2)C=C)CC	PC-id_86195335	298.333	WNEBQTSVFVDHGD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034688
S1(=O)C(=Cc2c(C=C1C(=O)OC)csc2)C(=O)OC	PC-id_86135540	298.335	VNJMWGZIJJNWSP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-034689
c1(C(=O)Nc2ccc(cc2)C(=O)C)c2CCCCCc2on1	PC-id_3244362,MCULE-8329535871,ZINC22_426565,EMOLS-id_6689091,STOCK6S-89498,CHEMBL1501923,ChEMBL-DNDi_CHEMBLC226-3484,ChEMBL-DNDi_CHEMBL1501923,CHEBI:121925,TIMTEC412937	298.336	QUIANYHQAVDUQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034690
c1(C(=O)Nc2cccc(C(=O)C)c2)c2CCCCCc2on1	STOCK6S-91083,ZINC22_426578,TIMTEC605566,MCULE-7503579277,PC-id_4257435,EMOLS-id_15972060	298.336	ZVJOAXCJIRLMGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034691
COc1ccc(cc1)N(c1c[nH]c2c1C(=O)CCCC2)C=O	PC-id_88136518,SCHEMBL7394031	298.336	BFPIDQJRADNMHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034692
COc1cccc(c1)N(c1c[nH]c2c1C(=O)CCCC2)C=O	PC-id_88137889,SCHEMBL7401824	298.336	SZYHHTDPYFSRKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034693
COc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_57234435,SCHEMBL7366681	298.336	QKNBNVJVDWLPEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034694
COc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_9948190,SCHEMBL7398647	298.336	QWZRQJOPLWQECM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034695
O=C(c1cc(c2-c1ccccc2)C(=O)N)ON1CCCCC1	SCHEMBL2187511,PC-id_67310130	298.336	WEXZEFADYXGITJ-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-034696
O=C(C1CCC(=O)c2n1ccc2)N1CCCc2c(C1)cco2	EMOLS-id_99333250	298.336	UEWRBAVWXCFNHS-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-034697
O=C(c1cc(=O)[nH]c(c1)C1CC1)N1CCCc2c(C1)cco2	EMOLS-id_99394209	298.336	CROHAQXHKCHCPC-UHFFFAOYSA-N	00100000100000101100100000000010000000000000000000000000	31-01-034698
O=C(c1noc2c1CCCCC2)Nc1ccc2c(c1)CCO2	EMOLS-id_111824296	298.336	OSGJBAMDGOJBBE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034699
O=C(c1noc2c1CCCCC2)Nc1ccc2c(c1)COC2	EMOLS-id_100164985	298.336	AEQBSXIRGFJXEH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034700
O=C(c1noc2c1CCCCC2)NC1COc2c1cccc2	EMOLS-id_111828440	298.336	KASFAAQFHUGIFR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034701
CCN(CC1CCCCc2n1c(=O)on2)C[C@@H](C(=O)O)N	PC-id_54066781,SCHEMBL6796044	298.338	MDOJGPHXMJWTJT-AXDSSHIGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034702
CCN(CC1CCCCc2n1c(=O)on2)N[C@H](C(=O)O)C	PC-id_69898144,SCHEMBL6796050	298.338	UFLMGDYLOBTLOF-RGURZIINSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034703
o1nc2n(C(CCCC2)CN(CC(N)C(=O)O)CC)c1=O	PC-id_23500575	298.338	MDOJGPHXMJWTJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034704
o1nc2n(C(CCCC2)CN(NC(C)C(=O)O)CC)c1=O	PC-id_77739313	298.338	UFLMGDYLOBTLOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034705
c12c(n(cn1)Cc1ccccc1)C(=O)NCC(=O)N2CCC	BindingDB_PC-id_14199034,CHEMBL328776,PC-id_14199034	298.34	HRXNTRRRYUYWIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034706
c1(C(=O)Nc2cccc3OCCc23)cn2c(CCNCC2)n1	EMOLS-id_330478601,ZINC22_1857720168,MCULE-3394558997	298.34	HQKRNUPMNSGBMH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034707
Cc1ccc(NC(=O)Cn2cc3c(n2)CCCNC3=O)cc1	ZINC22_634551765,MCULE-1921624621,EMOLS-id_316991811	298.34	CKMWGHDCVLNZHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034708
Cc1ccc(NC(=O)C(=O)N2CCCn3cncc3C2)cc1	ZINC22_72161324,EMOLS-id_43125151,PC-id_56898657,MCULE-9556865213	298.34	AUYGXMNEVSLAQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034709
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)C(=O)N	EMOLS-id_319069499	298.34	PRDPLPXKZLDVPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034710
CC1CN(Cc2noc(c2)c2ccco2)Cc2c(C1)[nH]nc2	EMOLS-id_319152862	298.34	RIUVTZKGZBTYSM-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-034711
Cc1nc2c(OCc3nnc4n3CCCCC4)cccc2o1	EMOLS-id_313179428,MCULE-7274488507,ZINC22_283929046	298.34	FCOFCNMTZMVFDC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034712
CCCc1cccc(c1)CN1CC(=O)Nc2c(C1=O)[nH]cn2	SCHEMBL9287870,PC-id_67818106	298.34	WBHVDMQNYXWARG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034713
CC(CCc1noc(n1)Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_320216017,MCULE-2997325411	298.34	HDXMKQDRTQTQOI-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-034714
CCn1nc(c2c1C(=O)NC(C(=O)N2)Cc1ccccc1)C	PC-id_101642428	298.34	MXDZCLGSHRVQIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034715
CNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	CoCoCo_2544510,PC-id_20964713	298.34	FATAGLOTILDRQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034716
N#CCCn1ncc(c1C)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_316479892	298.34	SAGNCZWLWAAKRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034717
NC(=O)c1ccc(NC(=O)c2c3c(CCCCC3)[nH]n2)cc1	EMOLS-id_323248315,MCULE-7288302660	298.34	XUWUHUIVMKTPLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034718
Oc1ccc(cc1)C1(CC1)C(=O)N1CCCn2c(C1)cnn2	MCULE-8499401494,EMOLS-id_320270425	298.34	PRSLCSIUCSBCLQ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-034719
O=C(N1CCCc2c(C1)cco2)Nc1ccc(nn1)C1CC1	EMOLS-id_99348691	298.34	IUGXFMHROSASNI-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-034720
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c12CN(CCCn1nc(C#N)c2)C(=O)C(C)n1ccnc1C	MCULE-1125552261,EMOLS-id_82725073,PC-id_119068004	298.343	JNJVXRPUVISWIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034723
c12ncccn1ncc2CN1CCCn2nc(CO)cc2C1	EMOLS-id_55648042,PC-id_91775987,MCULE-8951838094	298.343	GIOGXFKAXRLURH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034724
c12nnnn1CCCCC2C(=O)N1CC(C1)c1ccccn1	MCULE-4862528010,EMOLS-id_49643312,PC-id_74232235	298.343	HMJDKNBTMIEKQM-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-034725
c1cnn(c1)Cc1nnc2n1CCCN(C2)Cc1ccco1	PC-id_97405601	298.343	VVNTVAWJOWHVDN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-034726
c1cnn(Cc2nnn3c2CN(Cc2ccoc2)CCC3)c1	EMOLS-id_44370636,PC-id_97519626,ZINC22_96259544	298.343	QHJYAWSPYJXZHQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-034727
c1coc(CN2Cc3nccn3C[C@H](Cn3cncn3)C2)c1	PC-id_97463040,ZINC22_96188606	298.343	OEOIEDQFYLQNNM-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-034728
c1coc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)c1	ZINC22_96188607,PC-id_97463041	298.343	OEOIEDQFYLQNNM-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-034729
c1coc(CN2CCc3ncc(Cn4cncn4)n3CC2)c1	EMOLS-id_44328889,PC-id_97467123,ZINC22_96196979	298.343	ZDFONVFMDINQLC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-034730
c1(C(=O)NCc2cc3n(CCCNC3)n2)cc(cn1C)C#N	EMOLS-id_49639205,PC-id_74230228,MCULE-5526492729,ZINC22_97088106	298.343	DDXHADDBSKTHHY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-034731
c1ncn(Cc2cnc3n2CCN(Cc2ccoc2)CC3)n1	EMOLS-id_44328893,ZINC22_96196981,PC-id_97467125	298.343	HSVNXGZSSYCJHP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-034732
c1occ(c1)CN1CCCn2c(C1)nnc2Cn1cccn1	PC-id_97405600	298.343	VTTBLCMZHAGGAF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-034733
c1occ(c1)CN1CCCn2c(C1)nnc2Cn1cncc1	PC-id_97405599	298.343	TUZXNAGINLWKJR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-034734
C(C1CN(Cc2ccco2)Cc2nccn2C1)n1cncn1	EMOLS-id_44326447,PC-id_118739767	298.343	OEOIEDQFYLQNNM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-034735
Cc1nc2c(o1)cccc2CNC1CCn2c(CC1)nnn2	EMOLS-id_319467908	298.343	DUXWBWICNZYIQP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034736
Cc1nccn1[C@H](C)C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_426538361	298.343	JNJVXRPUVISWIG-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034737
Cc1nccn1[C@@H](C)C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_426538362	298.343	JNJVXRPUVISWIG-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-034738
Cn1ncc2c1CCCN(Cc1cc(=O)n3nccc3[nH]1)C2	MCULE-1399978331,ZINC22_1473546586,EMOLS-id_320367535	298.343	ROAOOISAXLUFRI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034739
Cn1ncc2c(=O)ccn(Cc3nnc4n3CCCCC4)c12	MCULE-1566355851,ZINC22_329784372,EMOLS-id_99525870	298.343	PELDRHNEZOUVSJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034740
N#Cc1cc(C(=O)NCCc2nnc3n2CCCCC3)c[nH]1	PC-id_75446671,MCULE-9434205950,EMOLS-id_48323410,ZINC22_95991193	298.343	HEALNRRAEDTWKO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-034741
N#Cc1c(C)nn(c1NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_278183761	298.343	HXCKSHJMOYXARC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034742
N#CCCn1ncc(c1C)C(=O)N1CCCc2c(C1)c[nH]n2	MCULE-6552118355,EMOLS-id_258024887	298.343	NBIXSKKKJPXXMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034743
O=C(c1ccnc(c1)C1CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102179678	298.343	CCSOPQPCWVXVRD-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-034744
O=C(c1cnn2c1[nH]cc2)NCc1n[nH]c2c1CCCCC2	MCULE-7884021067,EMOLS-id_232805137	298.343	PCJLADHVRBEXBS-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-034745
O=C(c1nccc(c1)C1CC1)NC1CCn2c(CC1)nnn2	MCULE-4788645860,EMOLS-id_320269701	298.343	UDZRGUWAHXDJTH-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-034746
O=C([C@H]1CCCCn2nnnc12)N1CC(c2ccccn2)C1	PC-id_97867299,ZINC22_97288679	298.343	HMJDKNBTMIEKQM-LBPRGKRZSA-N	00001000100000101101100000000010000000000000000000000000	31-01-034747
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Cc1n[nH]c2c1c(ncn2)NCc1nnc2n1CCCCC2	EMOLS-id_319799746	298.346	MKNLEJJWHDDTNF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034752
Cn1ncc2c(NCc3nnc4n3CCCCC4)ncnc12	EMOLS-id_36264667,PC-id_53521578,ZINC22_69349997,MCULE-6675376783	298.346	LCVHZLYHZTWJII-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034753
n12cnnc1cc(nc2N)NCc1c2CCCCCc2[nH]n1	ZINC22_1529125611,MCULE-1201793119,PC-id_134701175,EMOLS-id_316149698	298.346	RLXBOEJLPOETAT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034754
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[SeH]=c1sc2SCC=CCSc2s1	PC-id_85598529	298.35	SYBPQIRCIGUQAW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-034756
CC(=O)CCC1(COC(=O)C)COc2c(OC1)csc2	SCHEMBL13118795,PC-id_70840696	298.355	PMGXEXXRRFCHTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034757
Cc1ccc(cc1)S(=O)(=O)Oc1cc2-c(c1)ccccc2	PC-id_101756707	298.356	ZCFWZNIYBRWRCT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-034758
c1(CN2CCCn3cncc3C2)c(C)c2c(ccc(F)c2)[nH]1	EMOLS-id_43130007,MCULE-1040490264,PC-id_56899973,ZINC22_72164592	298.358	GPFQODWCLSHRIS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-034759
CC(C)(C)OC(=O)N1CCCCc2nc(sc12)C(=O)O	EMOLS-id_336496341,MCULE-1529620452	298.358	VGNSXWRFAJECLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034760
Cn1ncc2c1CCCN(Cc1cc3c(F)cccc3[nH]1)C2	ZINC22_414473719,MCULE-4148600624,EMOLS-id_316904079	298.358	QZYAGNBJNYWOPU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-034761
COC(=O)c1n(C)cc2c1C=CC(NS2(=O)=O)C(C)C	PC-id_140762721	298.358	BFIRMGXRKFXRJX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-034762
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OC(=O)CSCCNC(=O)c1noc2c1CCCCC2	PC-id_120526563	298.358	LVSJDNXBPMSKBJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034773
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CC(COC(=O)NC1CNc2c(NC1=O)c(ns2)C)C	PC-id_145339580	298.361	TZAYSTGZGPBEBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034775
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S(c1n2CCCCCc2nn1)CC(=O)NC(=O)OCC	PC-id_7877035	298.361	FQPGSCNMMBLRJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034779
c1(NC(=O)c2cnccn2)sc2c(CCCCC2)c1C#N	EMOLS-id_3989837,TIMTEC210181,ZINC22_6342894,MCULE-1720501241,PC-id_3667726,CoCoCo_6819721	298.363	ICLJMZLNWYJQRO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-034780
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C[C@@H](C(=O)N(C)c1ccccc1)N1CCCc2occc2C1	ZINC22_344240951	298.379	VYGSCUKABRYQOL-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034808
C[C@H](C(=O)N(C)c1ccccc1)N1CCCc2occc2C1	ZINC22_344240952	298.379	VYGSCUKABRYQOL-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034809
CC(N1CCCc2c(C1)cco2)C(=O)Nc1ccccc1C	EMOLS-id_318524819	298.379	CTSDTECQUHMRSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034810
CCn1c(COCc2ccccc2)nc2c1CCCCC2=O	PC-id_121458083,SCHEMBL17895924	298.379	XZZANSAWHDTOES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034811
CC(NC(=O)c1cc(c2-c1ccccc2)C(=O)NC(C)C)C	PC-id_102183762	298.379	RRNABCNKPZTHJN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034812
CN(C)Cc1ccccc1C(=O)N1CCCc2occc2C1	MCULE-1382537188,EMOLS-id_177228383,ZINC22_366459345	298.379	XJZJUDARZQLLRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034813
CO/C(=C/C=C/c1nc(c2n1CCOCC2)C(=C)C=C)/C=C	PC-id_118893736,SCHEMBL17531040	298.379	QRNJDTYVHXZIEE-KZVYIGENSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034814
o1c2CC(CN=C(Nc3ccc(OC)cc3)c2cc1C)(C)C	PC-id_10266712	298.379	BBCVLCNJEIJAJA-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-034815
o1c2CC(CN=C(Nc3c(OC)cccc3)c2cc1C)(C)C	PC-id_9994858	298.379	WIVKSNNUKLIWGE-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-034816
O=C(C(N1CCCc2c(C1)cco2)C)Nc1cccc(c1)C	EMOLS-id_318499380	298.379	WTNCWLUOVBWQKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034817
O=C(N1CCCc2c(C1)cco2)NCCc1ccccc1C	EMOLS-id_318762898	298.379	YYAFLZLMNZUMGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034818
O=C(Nc1ccc(cc1C)C)CN1CCCc2c(C1)cco2	EMOLS-id_318490496	298.379	FUTUNVRLHSDEFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034819
O=C(Nc1ccc(c(c1)C)C)CN1CCCc2c(C1)cco2	EMOLS-id_318683488	298.379	NZYDOLIQKHZFFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034820
O=C(Nc1cccc(c1C)C)CN1CCCc2c(C1)cco2	EMOLS-id_318728684	298.379	CBAKLMJRCUFWLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034821
O=C(N(c1ccccc1)C)C(N1CCCc2c(C1)cco2)C	EMOLS-id_177244191,MCULE-5151142005	298.379	VYGSCUKABRYQOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034822
O=C(Nc1c(C)cccc1C)CN1CCCc2c(C1)cco2	EMOLS-id_318445622	298.379	XCFGSRMHHJHHCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034823
O=C(Nc1cc(C)cc(c1)C)CN1CCCc2c(C1)cco2	EMOLS-id_318479218	298.379	NOTRLTHMWIIHEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034824
O=C(Nc1cc(C)ccc1C)CN1CCCc2c(C1)cco2	EMOLS-id_318788890	298.379	DQSIFYOXBMFYAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034825
Cc1nocc1S(=O)(=O)N1CCCc2c(C1)ccs2	EMOLS-id_316614699	298.381	GNWCKDWOMZBDQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034826
N(c1ccc(C=Cc2c(c3-c(c2)ccccc3)C#N)cc1)(C)C	PC-id_86005070	298.381	FOHUNVOQXONAIK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-034827
O=S(=O)(N1CCCc2c(C1)cco2)Cc1cscn1	MCULE-6545235211,EMOLS-id_320052622	298.381	VLFPAMINMJUDMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034828
c12CN(CCCn1nc(C#N)c2)CCC(C)c1ccc(C)o1	EMOLS-id_222760170,MCULE-4099644619	298.383	TYMAWTLGSAQWMB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-034829
c12nccn1CCCN(C(=O)Cc1cccnc1)C2C(C)C	MCULE-2423615714,EMOLS-id_97057081	298.383	YTAFNXUSHOAMMC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034830
c12nccn1CCCN(C(=O)Cc1ccncc1)C2C(C)C	EMOLS-id_97057114,MCULE-5072801691	298.383	DSZCQUXDDKCFLX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034831
c1cc2c(cc1CNCc1nnc3n1CCCCC3)CCO2	ZINC22_54153037,MCULE-6781381683,PC-id_53511306	298.383	YYHWBIXVTMJDCC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034832
c1ccc(cn1)OCc1ncn2c1CN(CCC2)CC1CC1	PC-id_97520056	298.383	MHYRLPNDRAMLJA-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-034833
C1CCn2c(CC1)nnc2CNCc1cccc2c1OCC2	MCULE-4688018953,EMOLS-id_318614509	298.383	MRVMZQNBUKGAKL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-034834
C1CN(Cc2cc(nn2C1)C(C1CC1)O)Cc1ccncc1	PC-id_91796566	298.383	MFKMUYTYWFPDHE-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-034835
c1cncc(CN2Cc3ccnn3C[C@@H](OCC3CC3)C2)c1	ZINC22_253601492	298.383	BIQYGBDGZKPHIF-KRWDZBQOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-034836
Clc1c(c2-c(c1C(=O)OCC)ccccc2C=C)C(=O)OCC	PC-id_86195336	332.778	QRGKFONOUTWALQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-062314
c1cncc(CN2Cc3ccnn3C[C@H](OCC3CC3)C2)c1	ZINC22_253601493	298.383	BIQYGBDGZKPHIF-QGZVFWFLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-034837
c1(CN(C)C(=O)Cc2ccccn2)c2CCCCCc2[nH]n1	ZINC22_215877195,MCULE-7405070382,PC-id_77089976,EMOLS-id_49886311	298.383	WXBBTKQOQIHYCA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034838
c1cncc(OC[C@@H]2CN(CC3CC3)Cc3cncn3C2)c1	PC-id_97477470,ZINC22_96209343	298.383	ZOWFYNIPKFWMFH-OAHLLOKOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-034839
c1cncc(OC[C@H]2CN(CC3CC3)Cc3cncn3C2)c1	ZINC22_96209342,PC-id_97477469	298.383	ZOWFYNIPKFWMFH-HNNXBMFYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-034840
Cc1ccc(cc1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101715173,MCULE-7388028454	298.383	HCGRERHOFZTDAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034841
Cc1cccc(c1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101723007	298.383	QUGHARAIYDMHML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034842
Cc1ccc(c(c1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845891	298.383	HFOGPVLWJDSERU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034843
Cc1cccc(c1)C(=O)NC(c1nnc2n1CCCCC2)C	EMOLS-id_35688568,MCULE-5795078968,PC-id_53503401	298.383	ZMLDXCNYLYZTFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034844
Cc1ccccc1C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_30737071,PC-id_47017153,ZINC22_48354007,MCULE-8744141220	298.383	CQKRSPKRMRNXIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034845
Cc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101956532	298.383	MKLMPQGHZHQZNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034846
Cc1cc(C)c(c(c1)C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278109557	298.383	INRFCYYLCZJRLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034847
Cc1cc(C)cc(c1)N(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316481164	298.383	YWCLAUMSCZPWFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034848
Cc1ccc(C)c(C(=O)NCc2nnc3n2CCCCC3)c1	CoCoCo_4625713,MCULE-7043442781,EMOLS-id_45744317,ZINC22_36391688,PC-id_45866977	298.383	OVQRSHARGTVMRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034849
Cc1cc(C)cc(C(=O)NCc2nnc3n2CCCCC3)c1	ZINC22_57536015,MCULE-5725460267,EMOLS-id_31875406,PC-id_24250921	298.383	SGZVYTQHPYJNBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034850
Cc1cccc(C(=O)NCc2nnc3n2CCCCC3)c1C	EMOLS-id_45744319,ZINC22_32902598,CoCoCo_4625716,PC-id_40138828,MCULE-9282564882	298.383	AHOUMGSPTOMHQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034851
Cc1ccc(CC(=O)NCc2nnc3n2CCCCC3)cc1	PC-id_45836467,ZINC22_57554192,MCULE-6693265616,EMOLS-id_31875432	298.383	DNKPGRSXYQTCMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034852
Cc1cccc(C(=O)NCCc2nnc3n2CCCCC3)c1	MCULE-9525979412,EMOLS-id_30737105,ZINC22_48354023,PC-id_47017159	298.383	AUCYGXZABPBFTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034853
Cc1cccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)c1	ZINC22_29901551	298.383	ZMLDXCNYLYZTFG-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034854
Cc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)c1	ZINC22_29901554	298.383	ZMLDXCNYLYZTFG-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034855
Cc1ccc([C@H](C)CCN2CCCn3nc(C#N)cc3C2)o1	ZINC22_670443464	298.383	TYMAWTLGSAQWMB-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-034856
Cc1ccc([C@@H](C)CCN2CCCn3nc(C#N)cc3C2)o1	ZINC22_670443465	298.383	TYMAWTLGSAQWMB-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-034857
Cc1cccc(n1)CCNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318649840	298.383	CMSLKPBCYZKZEX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034858
Cc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1C	EMOLS-id_48743681,PC-id_24249628,MCULE-5620987368,ZINC22_95947448	298.383	DBEBYSXMCXQPSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034859
Cc1ccc(C(=O)NCc2nnc3n2CCCCC3)c(C)c1	EMOLS-id_31875412,MCULE-7126665974,ZINC22_57541922,PC-id_45836348	298.383	LLNWJEFISHRAKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034860
Cc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1	PC-id_24246726,EMOLS-id_31867740,ZINC22_57529729,MCULE-1786576247	298.383	LMBUVKSXWGLUNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034861
Cc1cc(CNC(=O)c2cnc3n2CCCCC3)cc(n1)C	EMOLS-id_318760709	298.383	ZOTSMIMWFCBFBR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034862
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cn1)C(C)C	EMOLS-id_319050603	298.383	TUTVMLXNEPTCOM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034863
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)cc(nc1C)C	EMOLS-id_318767921	298.383	BNDIHCWTRLTFRU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034864
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1ccccn1)(C)C	EMOLS-id_318949933	298.383	XLNZOQGYTNOIFL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034865
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1cncc(c1)C	EMOLS-id_319515679	298.383	RBLYURTZTBHCSQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034866
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCc1ccccn1	EMOLS-id_319661000	298.383	KWVPSHZCKPNXCE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034867
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CN(c1ccccc1)C	EMOLS-id_319343255	298.383	BOYQECYBCBYEJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034868
CC1CN(Cc2c(C1)[nH]nc2)C(=O)N(Cc1ccccc1)C	MCULE-9689501322,EMOLS-id_320236920	298.383	ZLIGGPIVWWMSMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034869
CC1CN(CCC(=O)Nc2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_318837129	298.383	JRJCNCIYOSJDBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034870
CC1CN(CC(=O)Nc2ccc(cc2)C)Cc2c(C1)[nH]nc2	EMOLS-id_318773127	298.383	JLUYPJZZEGLTHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034871
CC1CN(CC(=O)Nc2cccc(c2)C)Cc2c(C1)[nH]nc2	EMOLS-id_318907152	298.383	QVOXLGNIQBKGFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034872
CC1CN(CC(=O)Nc2ccccc2C)Cc2c(C1)[nH]nc2	EMOLS-id_319146523	298.383	COTYIVQDLXSION-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034873
CC1CN(CC(=O)N(c2ccccc2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319389691	298.383	GLECFXHUBVBUGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034874
Cc1ncc(c(c1)C)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318603912	298.383	JMDGXDQPSPYLOM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034875
Cc1nc(CNC(=O)c2cnc3n2CCCCC3)ccc1C	EMOLS-id_318622015	298.383	UJDASGHATHZGIY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034876
CC(c1ccccc1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319899609,MCULE-6666968846	298.383	RGXCVAFNEQHTKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034877
CCc1cccc(c1NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_278109605	298.383	GLAORNDNRYUTAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034878
CCc1cccc(c1)N(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_278172934	298.383	AZPWFVUFDKZTRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034879
CC(c1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319845166	298.383	USVOGAMKKJVRPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034880
CCc1cccc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101961059	298.383	ZVHPVJDAYYCBHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034881
CCc1ccccc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101963238	298.383	NRBVKPLZCKVLOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034882
CC(c1ccc(cn1)NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318825245	298.383	MIIATVAZYRVFSL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034883
CCc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1	ZINC22_57531730,MCULE-2280070959,EMOLS-id_31875410,PC-id_24249519	298.383	JREUEZRDZUYBIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034884
CC(c1cccnc1NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318492319	298.383	JUAXLHMABZMQCR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034885
CCc1ccc(nc1NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318552933	298.383	PBFLNYBJUJPRRJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034886
CC(c1cnccc1C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318753818	298.383	VVXURAKRLINLAR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034887
CC(c1ncccc1C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318495139	298.383	FPZNUEVLCSBPFV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034888
CCCc1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319869720	298.383	DUHGSSJXXSDMER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034889
CC(C)Cc1ccc(cc1)C(=O)N1CCc2nncn2CC1	MCULE-5957178357,EMOLS-id_232750034,PC-id_56856245,ZINC22_200555105	298.383	KHJZGJBFWDVEJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034890
CC[C@@H](c1ccccc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316687334	298.383	DZRKJCCLNVPHBH-LOACHALJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034891
CC[C@@H](c1ccccn1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_258102891,MCULE-3805495439	298.383	HXNXJGCMZUXCSA-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034892
CC[C@@H](c1ccccn1)NC(=O)c1n[nH]c2c1CCCCC2	MCULE-2309447521,EMOLS-id_320015303	298.383	VPOFLWDNKOQDDQ-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034893
C=CCOCc1ncn2c1CN(Cc1ccccn1)CCC2	PC-id_97381654,ZINC22_96058998,EMOLS-id_46148293	298.383	HETVYMKRNSXMSV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034894
C=CCOCc1ncn2c1CN(Cc1cccnc1)CCC2	EMOLS-id_46148295,ZINC22_96058999,PC-id_97381655	298.383	NVBNHIKVJQTULQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034895
C[C@H](N(C(=O)c1cnc2n1CCCCC2)C)c1cccnc1	MCULE-2595992117,EMOLS-id_320069963	298.383	ASLULNWJENBRGH-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034896
C[C@H](N(C(=O)c1n[nH]c2c1CCCCC2)C)c1cccnc1	EMOLS-id_318846465	298.383	RYCQBKCPCRXQNE-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034897
C[C@@H](N(C(=O)c1n[nH]c2c1CCCCC2)C)c1cccnc1	MCULE-7920201485,EMOLS-id_319961275	298.383	RYCQBKCPCRXQNE-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034898
CCN(c1ccccc1C)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320258101,MCULE-9087480322	298.383	JPWDDNLJCILRBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034899
CC(N(C(=O)C1CCn2c(CC1)nnc2)C)c1ccccc1	EMOLS-id_318968565	298.383	GQDPNHCQGBWIBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034900
CC(=O)Nc1ccc(cc1)CN1CCCc2c(C1)cnn2C	EMOLS-id_318053806	298.383	ONCQMTCTRWBRCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034901
CC(=O)Nc1ccccc1CN1CCCc2c(C1)cnn2C	EMOLS-id_318227282	298.383	OXWXAYLCRJAOMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034902
CC(=O)Nc1cccc(c1)CN1CCCc2c(C1)cnn2C	EMOLS-id_318357056	298.383	ACUKIBMFBXEULV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034903
CN1Cc2cccn2C[C@@H](C(=O)NCCc2ccncc2)C1	ZINC22_248130482	298.383	MZWASYCIULFPQA-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034904
CN1Cc2cccn2C[C@H](C(=O)NCCc2ccncc2)C1	ZINC22_248130483	298.383	MZWASYCIULFPQA-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034905
CN1CC(Cn2cccc2C1)C(=O)NCCc1ccncc1	EMOLS-id_50016164	298.383	MZWASYCIULFPQA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034906
CN(c1ccccc1NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318462788	298.383	YONANAZXEXPHGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034907
CN(c1cccc(c1)NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_319176058	298.383	BHQXWNBZNMMCEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034908
CNc1ccc(CNC(=O)c2n[nH]c3c2CCCCC3)cc1	ZINC22_2325786911	298.383	ZAPRXYPHASDUKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034909
CN(c1ccc(NC(=O)c2c3c(CCCCC3)[nH]n2)cc1)C	MCULE-7745043294,EMOLS-id_335016824	298.383	OBPNQXVOEHAZHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034910
CN(c1cc(NC(=O)c2c3c(CCCCC3)[nH]n2)ccc1)C	EMOLS-id_320216365,MCULE-8382984058	298.383	GIPZEWPYFFGXFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034911
CN(CCc1ccccn1)C(=O)c1n[nH]c2c1CCCCC2	MCULE-7440265652,EMOLS-id_53793223,ZINC22_189626522,PC-id_99828586	298.383	HBPPANRLLAAMAJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034912
CN(CCc1ccncc1)C(=O)c1[nH]nc2c1CCCCC2	MCULE-4090656744,PC-id_46961700,SYN-15346460,ZINC22_12146868,EMOLS-id_30428083,CoCoCo_468201,CoCoCo_468200	298.383	BYSCIXLXVKUDBK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034913
CN(C)C(=O)C1CN(Cc2ccccc2)Cc2ccnn2C1	EMOLS-id_44326635	298.383	SNFZOVLUSFLACY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034914
CN(C)C(=O)[C@@H]1CN(Cc2ccccc2)Cc2ccnn2C1	PC-id_97463210,ZINC22_96188779	298.383	SNFZOVLUSFLACY-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034915
CN(C)C(=O)[C@H]1CN(Cc2ccccc2)Cc2ccnn2C1	ZINC22_96188778,PC-id_97463209	298.383	SNFZOVLUSFLACY-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034916
CNC(=O)c1ccc(cc1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318812706	298.383	KDWIGUKNQSEQMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034917
C(Oc1cccnc1)C1CN(CC2CC2)Cc2cncn2C1	EMOLS-id_49233145	298.383	ZOWFYNIPKFWMFH-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-034918
C(OC1CN(Cc2cccnc2)Cc2ccnn2C1)C1CC1	EMOLS-id_50008532	298.383	BIQYGBDGZKPHIF-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-034919
n1c(CNC(=O)CCc2cccnc2)c2c(CCCCC2)[nH]1	MCULE-7650470482,PC-id_90653739,EMOLS-id_50549385,ZINC22_221424974	298.383	BNLZGYUMGDBBJG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034920
NCCc1ccc(cc1)C(=O)N1CCCc2c(C1)cnn2C	MCULE-2969831458,EMOLS-id_318597116	298.383	ZJNSGKYZKPIMGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034921
O=C(c1cccc(c1N)C)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319589805	298.383	ZEPKCOKOJPZDPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034922
O=C(c1c(C)cccc1C)NCc1nnc2n1CCCCC2	EMOLS-id_318625766	298.383	GEYUHZAJKCCTKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034923
O=C(C1CCn2c(CC1)nnc2)NC(c1ccccc1)(C)C	MCULE-3828263227,EMOLS-id_319936434	298.383	GIFXXPSGZKFAEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034924
O=C(C1CCn2c(CC1)nnc2)NCc1c(C)cccc1C	EMOLS-id_319053226	298.383	GNGZCBHKSQQBJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034925
O=C(C1CCn2c(CC1)nnc2)NCCCc1ccccc1	MCULE-6995211520,EMOLS-id_320195656	298.383	OIQGKDLBQKQCLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034926
O=C(Cc1ccccc1C)NCc1nnc2n1CCCCC2	EMOLS-id_318427410	298.383	NDNJNWVNHLGQMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034927
O=C(C(c1ccncc1)C)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316668504	298.383	MVFADMARHWTCFG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034928
O=C(CCc1ccccc1)NCc1nnc2n1CCCCC2	EMOLS-id_30737077,MCULE-6118521058,ZINC22_48354010,PC-id_47019768	298.383	LSUGHWFLYJCWKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034929
O=C(C(N1CCCc2c(C1)cnn2C)C)Nc1ccccc1	EMOLS-id_318356800	298.383	XSVDRYIZUQSDPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034930
O[C@@H](c1nn2c(c1)CN(CCC2)Cc1ccncc1)C1CC1	PC-id_100307427	298.383	MFKMUYTYWFPDHE-QGZVFWFLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-034931
O[C@H](c1nn2c(c1)CN(CCC2)Cc1ccncc1)C1CC1	PC-id_100307439	298.383	MFKMUYTYWFPDHE-KRWDZBQOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-034932
O=C(N1CCc2c(CC1)nc[nH]2)NCCCc1ccccc1	PC-id_142022580	298.383	QEABWHWNEZSLES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034933
O=C(N1CCCc2c(C1)cnn2C)c1cc2c([nH]1)CCCC2	EMOLS-id_101678414	298.383	TXVWKJDMOGLBRV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-034934
O=C(N1CCCc2c(C1)cnn2C)c1ccc(cn1)C(C)C	EMOLS-id_101678285	298.383	JADVPVNTQFZJNS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034935
O=C(N1CCCc2c(C1)cnn2C)c1ccc(nc1)C(C)C	EMOLS-id_101674658	298.383	LGJQJQKJLKUSQM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034936
O=C(N1CCCc2c(C1)cnn2C)C(Cc1ccccc1)N	MCULE-7929334148	298.383	QSIMDLYTKFXQDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034937
O=C(N1CCCc2c(C1)cnn2C)CCNc1ccccc1	EMOLS-id_318716579,MCULE-6784895534	298.383	PJOULJKNCCPOTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034938
O=C(N1CCCc2c(C1)cnn2C)[C@@H](Cc1ccccc1)N	MCULE-2095870798	298.383	QSIMDLYTKFXQDS-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034939
O=C(N1CCCc2c(C1)cnn2C)[C@H](Cc1ccccc1)N	MCULE-7867829432	298.383	QSIMDLYTKFXQDS-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034940
O=C(N1CCCc2c(C1)cnn2C)Nc1c(C)cccc1C	EMOLS-id_101961104	298.383	GBLAIKNHRYMEEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034941
O=C(N1CCCc2c(C1)cnn2C)NCc1ccccc1C	EMOLS-id_101721960	298.383	HZQGHYVMOMDJSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034942
O=C(N1CCCc2c(C1)cnn2C)NC(c1ccccc1)C	EMOLS-id_303431340	298.383	ODVKQUOUIXGIDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034943
O=C(N1CCCc2c(C1)cnn2C)N[C@H](c1ccccc1)C	EMOLS-id_101715662	298.383	ODVKQUOUIXGIDE-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034944
O=C(N1CCCc2c(C1)cnn2C)N[C@@H](c1ccccc1)C	EMOLS-id_101715674	298.383	ODVKQUOUIXGIDE-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034945
O=C(N1CCCc2[nH]cnc2CC1)NCCc1ccccc1	PC-id_20803152	298.383	BHBNJNOJMSKSTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034946
O=C(NCc1cccnc1)Cn1nc2CCCCCCc2c1	PC-id_20892480	298.383	VGMLKYDPXHCCKO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-034947
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccns1	EMOLS-id_319116644	298.384	RNKXXOKKLLERAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034948
O=S(=O)(Cc1nnc2n1CCCCC2)c1nccs1	MCULE-3523523055,ZINC22_278832905,EMOLS-id_316187421	298.384	SANILSBNNCHTFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034949
C1CCn2c(CC1)nnc2Cn1nc2c(c1)N1CCC2CC1	EMOLS-id_318825443	298.386	JYLYZGNQYZDDFU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-034950
c1(CN2CCCn3nc(C#N)cc3C2)cnn(CCC)c1C	MCULE-1265988768,EMOLS-id_222768288,ZINC22_670450956	298.386	WVCFRCIDRINMDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034951
c1cnc(nc1)C1CCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_319858555,MCULE-4087319049	298.386	NFSZEABPMMHOMF-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-034952
c1cnc(nc1)NCc1ncn2c1CN(CCC2)CC1CC1	PC-id_97519502	298.386	DUGYVUKURUPYTO-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-034953
c1ncc(nc1)C1CCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_319641806	298.386	ZAMNTCOIFZSEBE-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-034954
Cc1cc(C)n(C[C@H](C)N2CCCn3nc(C#N)cc3C2)n1	ZINC22_670454080	298.386	DNJGBQVNCYDIGW-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034955
Cc1cc(C)n(C[C@@H](C)N2CCCn3nc(C#N)cc3C2)n1	ZINC22_670454081	298.386	DNJGBQVNCYDIGW-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034956
Cc1cc(NCc2nnc3n2CCCCC3)nc(n1)C1CC1	MCULE-6625881070,EMOLS-id_318615352	298.386	NYYOIDHQFRIROP-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-034957
CC(Cn1nc(C)cc1C)N1CCCn2nc(cc2C1)C#N	EMOLS-id_222772451,MCULE-3440940149	298.386	DNJGBQVNCYDIGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034958
NC(=NCc1nnc2n1CCCCC2)Nc1cccc(c1)C	PC-id_111031872	298.386	ZJPZONNBNQLTQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034959
NC(=NCc1nnc2n1CCCCC2)Nc1ccc(cc1)C	PC-id_111031908	298.386	IEMKSHZZGPPTNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034960
NC(=NCCc1nnc2n1CCCCC2)Nc1ccccc1	PC-id_110914522	298.386	KJVAIXLLBGRPQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-034961
CCCCCCC(=O)OCC1COc2c(OC1)csc2	SCHEMBL17626541,PC-id_102435521	298.398	DZVPEHUXGQGHPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034962
OC(c1cc2c(o1)cccc2)c1cc2c(s1)CCCCC2	PC-id_115836087	298.399	XNAWDNDRHFCKJP-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-034963
O=C(c1cccc2c1OCC2)c1cc2c(s1)CCCCC2	PC-id_115814309	298.399	ZOLBDBVJARUGNM-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-034964
s1c2CCCCCc2cc1C(=O)c1cc2CCOc2cc1	PC-id_43462917	298.399	YNUKECLWLALICG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-034965
s1c2CCCCCc2cc1C(=O)c1cc2c(COC2)cc1	PC-id_63021264	298.399	QDFKIMDOXVDNFA-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-034966
S(CCc1c2-c(c(c1)C(=O)OC)ccccc2)CCC#C	PC-id_85570920	298.399	BYHYUNXFIGCGDO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-034967
CC1CCCCN1S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_102339210	298.401	MSQFPCXNEBSLQV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-034969
CC1CCN(CC1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99308927	298.401	WCEXQHVFCHXBOW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-034970
CS(=O)(=O)N1CCC(C1)CN1CCCc2c(C1)cco2	MCULE-7466342117,EMOLS-id_316192271	298.401	ACQUFOUYTWRINM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-034971
CS(=O)(=O)N1CC[C@H](CN2CCCc3occc3C2)C1	ZINC22_367991981	298.401	ACQUFOUYTWRINM-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-034972
CS(=O)(=O)N1CC[C@@H](CN2CCCc3occc3C2)C1	ZINC22_367991982	298.401	ACQUFOUYTWRINM-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-034973
O=C(C(C(O)(C)C)O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_316676401	298.401	HLTHFOOWQGOUDK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-034974
O=S(=O)(N1CCCc2c(C1)cco2)N1CCCCCC1	EMOLS-id_102569599	298.401	JKIYWNJFMCGQOL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-034975
N#Cc1ccc(cc1)C(CN1CCCc2c(C1)ccs2)O	EMOLS-id_318584380	298.403	NFSRAVCOGGWWRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034976
OC1CCCCc2c1cn(c2)Cc1nc2c(s1)cccc2	PC-id_104631571	298.403	RQCGZMHVCZRRHR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-034977
O=C(c1cc2c(s1)CCCCC2)N1Cc2ccncc2C1	ZINC22_808102193	298.403	GEHNADGDZVKZBR-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-034978
O=C(N1CCCCc2c1sc(n2)C)C1Cc2c1cccc2	EMOLS-id_319792377	298.403	SUUPGRKRTUBWNQ-UHFFFAOYSA-N	00001000100000100101001000000010000000000000000000000000	31-01-034979
s1c2CCCCCc2cc1C(=O)NN=Cc1ccccc1	PC-id_78620809	298.403	AGBSVCDRZYHHLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-034980
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)N1CCC(C1)C	MCULE-1573722347,EMOLS-id_319951368	298.404	YARDBWYWQYSMTN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034981
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)N(CC1CC1)C	EMOLS-id_319359270	298.404	PGFNNZLIBFTVLK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-034982
CC1CCC(C1)CS(=O)(=O)N1CCCn2c(C1)cnn2	MCULE-7870940135,EMOLS-id_319961613	298.404	ALCBZWIKJXPZEL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034983
CC1CN(CC2CN(C2)S(=O)(=O)C)Cc2c(C1)[nH]nc2	EMOLS-id_319704656	298.404	GFFTUGHSJVCSNS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-034984
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)C1CC1	EMOLS-id_99747499	298.404	AGAHXKNXSASCAF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-034985
C[C@@H]1CCC[C@H]1CS(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319156849	298.404	OKJOHDDBWILYPK-NEPJUHHUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034986
Cn1ncc2c1CCCN(C2)S(=O)(=O)N1CCCCC1	EMOLS-id_101948319	298.404	ZEJYVZVFNUYKFI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-034987
Cn1ncc2c1CCCN(CC1CN(S(=O)(=O)C)C1)C2	PC-id_136562830,ZINC22_930710369,MCULE-6675574149,EMOLS-id_316966548	298.404	BNTGBRFACYUTKU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-034988
CN(C1CCS(=O)(=O)C1)Cc1nnc2n1CCCCC2	EMOLS-id_110185395	298.404	YBBLTTQLYBQKNH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034989
CN(C)CC1CN(Cc2nccn2C1)S(=O)(=O)C1CC1	EMOLS-id_44326109	298.404	ONJFZGOBOILWPW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-034990
CN(C)C[C@H]1CN(S(=O)(=O)C2CC2)Cc2nccn2C1	ZINC22_96188270,PC-id_97462713	298.404	ONJFZGOBOILWPW-LLVKDONJSA-N	00100000100000000101000000000010000000000000000000000000	31-01-034991
CN(C)C[C@@H]1CN(S(=O)(=O)C2CC2)Cc2nccn2C1	ZINC22_96188271,PC-id_97462714	298.404	ONJFZGOBOILWPW-NSHDSACASA-N	00100000100000000101000000000010000000000000000000000000	31-01-034992
CS(=O)(=O)N1Cc2nccn2C[C@H](CN2CCCC2)C1	PC-id_97462840,ZINC22_96188402	298.404	HZWVWENFTDILNL-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034993
CS(=O)(=O)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_96188403,PC-id_97462841	298.404	HZWVWENFTDILNL-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034994
CS(=O)(=O)N1CCc2n(CC1)c(cn2)CN1CCCC1	PC-id_97467020	298.404	LNZFGGGCBMERIS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034995
CS(=O)(=O)N1CC(CN2CCCC2)Cn2ccnc2C1	EMOLS-id_44326241,PC-id_118739165	298.404	HZWVWENFTDILNL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-034996
CS(=O)(=O)NCC1CCn2nccc2CN1CC1CC1	EMOLS-id_313818664	298.404	ZJNDGPIKAJUBDO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-034997
CS(=O)(=O)NCc1cnc2CCN(CC3CC3)CCn12	ZINC22_96197027,EMOLS-id_44328987,PC-id_97467171	298.404	LDDBNBAYOIXBPO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-034998
CS(=O)(=O)NCc1ncn2c1CN(CC1CC1)CCC2	EMOLS-id_46182355,PC-id_97405489,ZINC22_96084666	298.404	HMLVKACLRDIEJS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-034999
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CS(=O)(=O)NC[C@@H]1CCn2nccc2CN1CC1CC1	ZINC22_585098575	298.404	ZJNDGPIKAJUBDO-LBPRGKRZSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035001
O=S1(=O)CCCC(C1)NCc1nnc2n1CCCCC2	EMOLS-id_98763084	298.404	YDSLQJFQDUZFQI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-035002
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S(c1n2CCCCCc2nn1)CC(NC(C)C)C(=O)O	PC-id_61933180	298.404	RJTHDOUVAGBJDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035013
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S(c1n2CCCCCc2nn1)CC(NC)(C)C(=O)OC	PC-id_61935463	298.404	PDNWZQKBGQAVNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035016
S(c1n2CCCCCc2nn1)CC(N)(C)C(=O)OCC	PC-id_61932975	298.404	OWLSEZZZRUBBHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035017
S(c1n2CCCCCc2nn1)CC(NC)C(=O)OCC	PC-id_61933183	298.404	PBSOXZOSTBPSGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035018
S(c1n2CCCCCc2nn1)CC(=O)NCCCOC	PC-id_7876907	298.404	BDJZQMBTWMPASC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035019
S(C(CC(N)(C)C(=O)O)C)c1n2CCCCCc2nn1	PC-id_64709908	298.404	PBQVPSKUSYJXFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035020
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CC1CN(Cc2nc3c(s2)cccc3)Cc2c(C1)[nH]nc2	EMOLS-id_319542200	298.406	NJQPXPPDNPGKKT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035022
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S(c1n2CCCCCc2nn1)C(c1ccccc1)CC#N	PC-id_62778752	298.406	FQAUPAOGLHBGIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035024
S(c1n2CCCCCc2nn1)CC(c1ccccc1)C#N	PC-id_64537356	298.406	VIQQLDQMQLXYSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035025
CC(C1CCCCc2c(C1(F)F)cnn2C(C)(C)C)(C)C	PC-id_118696728,SCHEMBL17480719	298.414	FRYOHIFZUHBXDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035026
CC(c1ccc(c2-c(c1)c(C)cc2C(=O)OC(C)(C)C)C)C	PC-id_102110559	298.419	SSFFIZMLSKIWAO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035027
CC(=O)OCCC(c1ccc(cc2-c1ccc2C)C(C)C)C	SCHEMBL8563137,PC-id_19690314	298.419	KPVMYQGLVQGPOA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035028
O(C(=O)c1c2-c(c(CCCCCCCC)c1)ccccc2)C	PC-id_15152011	298.419	XJALCAFDCOZDSG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035029
O(C(=O)Cc1c2-c(cc(C(C)C)cc1)c(cc2)C)CCCC	PC-id_85603925	298.419	HLJKISUCIVGWMS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035030
O(C(=O)CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)CCC	PC-id_85603931	298.419	IGNAPEIKNJIYIS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035031
O(C(=O)CCCc1c2-c(c(cc(c1)C)C)ccc2)CCCC	PC-id_85604079	298.419	DLOAWUXWFZEIEQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035032
O(C(=O)CCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)CC	PC-id_85603942	298.419	VCYLORQMEIQVLN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035033
OC(=O)CCCC(c1c2-c(c(cc2)C)cc(C(C)C)cc1)C	PC-id_21692885,SCHEMBL9352479	298.419	HDMFVVCLXSZUKM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035034
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CCOc1ccc/c(=NC2CCCCC2)/c2c(C)[nH]c(C)c12	ZINC22_13685542,EMOLS-id_26275078	298.423	ISXHWTQLCXWFLO-LTGZKZEYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-035039
O(c1c2-c(c(NC3CCCCC3)ccc1)c(nc2C)C)CC	PC-id_921721	298.423	PGLCDHHZXDDTEU-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-035040
CCOC(=O)c1c(NC(=S)N)sc2c1CCCCC2	PC-id_139236788	298.424	LKJUYAHHTIODLO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035041
CNC(=S)Nc1sc2c(c1C(=O)OC)CCCCC2	PC-id_101590102	298.424	CHHGOHGIQCAHCR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035042
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N#CC(CS(=O)(=O)N1CCCc2c(C1)ccs2)(C)C	EMOLS-id_316555731	298.424	NMLVFNHTXDJKSH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035044
s1c2c(CCCCC2)c(c1NS(=O)(=O)CCC)C#N	PC-id_64593135	298.424	JZZQGDHTXIELGQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035045
S(=O)(=O)(Nc1sc2c(CCCCC2)c1C#N)C(C)C	PC-id_64593132	298.424	ZKPJSUSZJGGWEE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035046
Cc1ccc(c(c1)C)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318194511,MCULE-2698902076	298.426	PHMZPAQTXKXRHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035047
Cc1cccc(c1)C(NCc1nnc2n1CCCCC2)(C)C	EMOLS-id_318044192,MCULE-6207917377	298.426	ZUBWPYRYXCCQAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035048
Cc1ccccc1C(NCc1nnc2n1CCCCC2)(C)C	EMOLS-id_318265897,MCULE-6193450430	298.426	LXNFQMBEKHBBQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035049
Cc1ccc(c(c1)C(NCc1nnc2n1CCCCC2)C)C	MCULE-7393912591,EMOLS-id_318253224	298.426	QGCHCKLQWIIQAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035050
Cc1cc(C)cc(c1)C(NCc1nnc2n1CCCCC2)C	MCULE-3562950426,EMOLS-id_318049562	298.426	SGTDBOJRSBHCDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035051
CC1CN(Cc2ccc(nc2C)C(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319231688	298.426	DQCLNPVTBNSXNM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035052
CC(c1cccc(c1C)C)NCc1nnc2n1CCCCC2	EMOLS-id_318149061,MCULE-7618754255	298.426	SWOMXIVGNHIBEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035053
CC(c1ccc(c(c1)C)C)NCc1nnc2n1CCCCC2	MCULE-1867528977,EMOLS-id_318150085	298.426	LXKFCEKIZJMEAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035054
CC(c1ccccc1NCc1nnc2n1CCCCC2)(C)C	EMOLS-id_318312736,MCULE-6187743933	298.426	VLRKCELANAYGCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035055
CC(c1ccc(cc1)NCc1nnc2n1CCCCC2)(C)C	MCULE-3630875036,EMOLS-id_318043676,PC-id_7523873	298.426	ZGYVXOYSVGLCCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035056
CCC(c1cccc(c1)C)NCc1nnc2n1CCCCC2	EMOLS-id_317998423	298.426	LTPNJNXZVFILLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035057
CCC(c1ccc(cc1)C)NCc1nnc2n1CCCCC2	EMOLS-id_318126050	298.426	AYSRKMMPBPOYQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035058
CC(CN1CCc2n(CC1)c(nn2)CCc1ccccc1)C	CoCoCo_1511270,CoCoCo_1511269	298.426	HBBWKIDGSHQRES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035059
CN(Cc1ccccc1)CCN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319919697,MCULE-3019505549	298.426	JNUJNBLLRIRMBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035060
CN(Cc1cnc2n1CCN(CC2)Cc1ccc(cc1)C)C	PC-id_97466928	298.426	OBMOOLOFTAGPMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035061
CN(C)CC1CN(CCc2ccccc2)Cc2ccnn2C1	EMOLS-id_50376849	298.426	GEHBZYKGYCMEGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035062
CN(C)C[C@H]1CN(CCc2ccccc2)Cc2ccnn2C1	ZINC22_248094242	298.426	GEHBZYKGYCMEGC-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035063
CN(C)C[C@@H]1CN(CCc2ccccc2)Cc2ccnn2C1	ZINC22_248094246	298.426	GEHBZYKGYCMEGC-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035064
n12CCCCCc1nnc2CNc1ccc(C(CC)C)cc1	PC-id_78495943	298.426	WHRDWASRWRBVOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035065
n12CCCCCc1nnc2CNc1ccc([C@@H](CC)C)cc1	PC-id_7523874	298.426	WHRDWASRWRBVOR-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035066
n12CCCCCc1nnc2CNc1ccc([C@H](CC)C)cc1	PC-id_7523875	298.426	WHRDWASRWRBVOR-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035067
s1c(C(O)(C(C)(C)C)C(C)(C)C)c2OCCCOc2c1	PC-id_11808678	298.441	ZJOYCQVHYHUEAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035068
Cc1cc(C)cc(c1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_114963257	298.442	ZVMHLAGQSSMFRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035069
Cc1cc(C)c(cc1C(=O)c1cc2c(s1)CCCCC2)C	PC-id_114975820	298.442	DOSPFTATBKHPMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035070
CCc1ccc(cc1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_114963447	298.442	WGIOLULPZPEULM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035071
CCCc1cccc(c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_115812162	298.442	GRNHMHJYHHRXSC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035072
OC(C1CC1c1ccccc1)c1cc2c(s1)CCCCC2	PC-id_115838745	298.442	XFMGVPSWYWJUBI-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-035073
OC(c1cc2c(s1)CCCCC2)CC1Cc2c1cccc2	PC-id_115816684	298.442	GMACEJPZTNALRU-UHFFFAOYSA-N	00001000100000100100001000000010000000000000000000000000	31-01-035074
O=C(c1cc2c(s1)CCCCC2)Cc1c(C)cccc1C	PC-id_115792562	298.442	UHYYYDFTDZJBBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035075
O=C(c1cc2c(s1)CCCCC2)CCCc1ccccc1	PC-id_114969912	298.442	ONXMVTCPJLGJPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035076
s1c2c(CCCCC2)cc1C(O)c1cc2CCCc2cc1	PC-id_63426802	298.442	GCKSRQFADZHMSW-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-035077
s1c2CCCCCc2cc1C(=O)c1c(cc(cc1C)C)C	PC-id_43462599	298.442	GKTICTPALZIVLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035078
s1c2CCCCCc2cc1C(=O)c1ccc(CCC)cc1	PC-id_43462755	298.442	SCGHKMDTYXEYNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035079
s1c2CCCCCc2cc1C(=O)c1ccc(C(C)C)cc1	PC-id_43625106	298.442	FKLNKYYCTGOMAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035080
s1c2CCCCCc2cc1C(=O)Cc1c(ccc(c1)C)C	PC-id_63527003	298.442	SWWQGGKSSDLPTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035081
s1c2CCCCCc2cc1C(=O)Cc1cc(c(cc1)C)C	PC-id_63528043	298.442	GFRIXZJBNJAMPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035082
CCCS(=O)(=O)CCn1cc2c(c1)CCCCC2NC	PC-id_106717811	298.444	RWIFKSUIOKQGKC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035083
CC(CS(=O)(=O)N1CCCc2c(C1)c(c[nH]2)C(C)C)C	PC-id_118489248,SCHEMBL17229721	298.444	ARQWXKZGPHJZEW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035084
CC(S(=O)(=O)N1CCCc2c(C1)c(c[nH]2)C(C)(C)C)C	SCHEMBL19307811	298.444	YFFAZWQFKGCRQL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035085
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CC(c1ccc(cc1)/C=C/c1sc2c(n1)CCCCN2)C	SCHEMBL8315650,PC-id_15069488	298.446	QWLYILNNWPCNLH-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035092
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s1c2NCCCCc2nc1C=Cc1ccc(C(C)C)cc1	PC-id_54250632	298.446	QWLYILNNWPCNLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035094
S1CC(Cn2cc3C(N)CCCCc3c2)c2c1cccc2	PC-id_83211512	298.446	GCGWJFABKMKMMN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-035095
S1C(Cn2cc3C(N)CCCCc3c2)Cc2c1cccc2	PC-id_83211309	298.446	HODRKNNFOOPZLZ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-035096
CCCNC(CSc1nnc2n1CCCCC2)COC	PC-id_107511298	298.447	VBOMDJXUUYNOGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035097
OCC(C(C(C)(C)C)N)Sc1nnc2n1CCCCC2	PC-id_114370146	298.447	OXQGPUVLSTZTDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035098
OCC(C(CC(C)C)N)Sc1nnc2n1CCCCC2	PC-id_114370149	298.447	VAQBZGRBMWGBQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035099
OC(CNC(C)(C)C)CSc1nnc2n1CCCCC2	PC-id_115476242	298.447	BKYBFSSSLBDTBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035100
OC(CSc1nnc2n1CCCCC2)CNCC(C)C	PC-id_115476243	298.447	CYILMSQRZRXXGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035101
S(c1n2CCCCCc2nn1)CCCCNCCOC	PC-id_62578143	298.447	FYUIMJMLCCXGNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035102
S(c1n2CCCCCc2nn1)C(CNCCCOC)C	PC-id_62577513	298.447	OKQCTOXBSLVICD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035103
S(c1n2CCCCCc2nn1)CCNCCCOCC	PC-id_62578366	298.447	BIBWPVLJUJVJTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035104
S(CC(NCCC)CCO)c1n2CCCCCc2nn1	PC-id_64927546	298.447	MSGFYNFXKXEVPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035105
CC(C)(C)[Si](C)(C)c1c(c2-c(ccccc2)c1C=O)C=O	SCHEMBL14921459,PC-id_89545285	298.452	RPQILBUPMKLBFB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035106
O=Cc1c2-c(c(c1C(C)(C)C)C=O)ccccc2[SiH](C)C	SCHEMBL14921458	298.452	QWEOWIZBKYODGI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035107
O(CCCCCCCC)c1c2-c(ccc(C(C)C)c1)ccc2	PC-id_56619502	298.462	UESOCJUVGUDKAL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035108
s1c2CCCCCCc2nc1NC(=O)CCSCC	PC-id_56021981	298.467	VWOIMGAYQLHJSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035109
s1c2CCCCCCc2nc1NC(=O)CSCCC	PC-id_56022357	298.467	OLRNHTMQGDBMBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035110
S1CCC(C[N+](C)(C)C)C(=O)c2c1sc(c2)CCC	PC-id_10646045	298.487	WURCWZSZVBBNKS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035111
S1CC(CSc2sc(=S)sc12)(CO)CO	PC-id_5323770	298.489	ULQVVMANFIMUBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035112
CCc1c2-c(c(c1[Si](C(C)(C)C)(C)C)C=O)ccccc2	PC-id_89554548,SCHEMBL14932636	298.495	AGCBMMDKBBPJHC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035113
Clc1ccc(s1)C(=O)N1CCc2n[nH]c(=O)n2CC1	PC-id_91922357,MCULE-9430404780,EMOLS-id_50585815	298.749	AGFFUNDZIDRGQH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-035114
ClC1C=CC=c2c(=C1)[nH]c(c2)C(=O)NCc1ccccc1	PC-id_144935777	298.767	QBTCYWBBLVMOMM-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-035115
Clc1cc(F)c(Sc2n3CCCCCc3nn2)nc1	PC-id_79734745	298.767	LFZSTHCRGZWPDW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035116
N#Cc1ccc(c(c1)Cl)Cn1cc2c(c1)CCCCC2=O	PC-id_102669384	298.767	NZWSUPUJTUZAPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035117
C=C/C=C(/C1=NCc2n(C(=C1/C=C/Cl)C=C)cnn2)C=C	PC-id_143750917	298.77	YBVQHQMKHOAOGL-RUQWLHCNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-035118
Clc1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1	CoCoCo_3456287,PC-id_6047800	298.77	UDPVILHLRHTIBT-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035119
Clc1c(/C=C(c2n3CCCCCc3nn2)/C#N)cccc1	CoCoCo_3456288,PC-id_75362025	298.77	UDPVILHLRHTIBT-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035120
Clc1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1	MCULE-1927534758,EMOLS-id_44488163,PC-id_4247644	298.77	UDPVILHLRHTIBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035121
Clc1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1	MCULE-2955446450,PC-id_72084744,EMOLS-id_26092847	298.77	RZFJIWGGORBCND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035122
Clc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1	PC-id_8275294,CoCoCo_3456329	298.77	RZFJIWGGORBCND-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035123
Clc1ccc(C=C(c2n3c(CCCCC3)nn2)C#N)cc1	EMOLS-id_26445666,PC-id_4531627,MCULE-4691362386	298.77	RCILCNPPPYOXBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035124
Clc1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_6142012,CoCoCo_3456295	298.77	RCILCNPPPYOXBJ-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035125
Clc1ccc(/C=C(/C#N)c2nnc3CCCCCn23)cc1	CoCoCo_3456296,ChEMBL-DNDi_CHEMBLF0784-0264,EMOLS-id_45797320,PC-id_7064231	298.77	RCILCNPPPYOXBJ-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035126
N#C/C(=C/c1cccc(c1)Cl)/c1nnc2n1CCCCC2	CoCoCo_3456330	298.77	RZFJIWGGORBCND-LCYFTJDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-035127
Clc1ccc(s1)CNCc1nnc2n1CCOCC2	EMOLS-id_318645138,MCULE-8937535214	298.792	HIBHREXLGBENPZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-035128
Clc1ccsc1CNCc1nnc2n1CCOCC2	EMOLS-id_318628827,MCULE-1988332830	298.792	KSHTWWPTBGFMRF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-035129
Clc1csc(c1)CNCc1nnc2n1CCOCC2	EMOLS-id_318620681,MCULE-7388114914	298.792	NEJSJHQINRKYNF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-035130
Clc1cscc1CNCc1nnc2n1CCOCC2	EMOLS-id_318746783,MCULE-3866902901	298.792	SRQCKKAVLIVJDY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-035131
Clc1sccc1CNCc1nnc2n1CCOCC2	EMOLS-id_318547226,MCULE-9850157928	298.792	ZKYOGDPRXWTPDZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-035132
ClCCCCC(=O)NC(c1n2CCCCCc2nn1)C	PC-id_43700651	298.812	ZREQDGBYMMWMRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035133
ClCC(C(=O)NC(c1n2CCCCCc2nn1)C)(C)C	PC-id_63680197	298.812	NSWFJIHVSNNBFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035134
Clc1c(scc1)C(O)c1sc2c(CCCCC2)c1	PC-id_80530614	298.851	MDWWEWFUSMEVTJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-035135
Clc1sc(C(O)c2sc3c(CCCCC3)c2)cc1	PC-id_61088546	298.851	HUWHJCCNFIPOCH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-035136
C1C(O1)CN2C=CC3=C2C=C=IC=C3	PC-id_153078236	298.981	VMTBNANCGJNFDW-UHFFFAOYSA-N	00100000100000000110000000000010000000000000000000000000	31-01-035137
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)ON=C4	PC-id_154685763	299.109	HGECHDWAVSZADZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035138
C[C@H](C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)ON=C4	PC-id_154685673	299.109	HGECHDWAVSZADZ-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035139
C[C@@H](C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)ON=C4	PC-id_154685701	299.109	HGECHDWAVSZADZ-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-035140
CC(C)(CS(=O)(=O)C)C(=O)N1CCCC2=C(C1)C=CO2	PC-id_154759113,EMOLS-id_257922816,MCULE-8677141082	299.119	DXTSONLUZKGLMD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035141
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CN=NN4CC3	PC-id_154685583	299.12	NOHZMAIHUNTPPX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035142
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=NN=CN4CC3	PC-id_154685591	299.12	PGRYVWOQOIYIRS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035143
CC(C1=CC2=NSN=C2C=C1)N3CCC4=C(CC3)NN=C4	PC-id_154685634	299.12	FNSARIDTIDKJSW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035144
CC1=CC=CC=C1CC2=NN=C3N2CC[C@H](CC3)C(=O)OC	ZINC22_601043438,PC-id_164640533	299.163	AAQCMZVIQHLXPK-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035145
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC=N3)C2)C	PC-id_160477120	299.163	BZDXUWHPDSPKFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035146
CC1=CN2CCN(CCC2=N1)C(C)C3=CC4=C(C=C3)OCO4	PC-id_154685674	299.163	MWTFPJVMQVZUMZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035147
CC1=NN2CCN(CCC2=C1)C(C)C3=CC4=C(C=C3)OCO4	PC-id_154685664	299.163	QGDYPMXYICKGAL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035148
CC(C1=CC2=C(C=C1)OCO2)N3CCC4=CN(N=C4CC3)C	PC-id_154685627	299.163	ODMLXLUKAMPLIT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035149
Brc1n(c2c(C(=O)C(CN(C2=O)C)(C)C)c1)C	PC-id_10063304	299.164	BLILNIKBPYIFNH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035150
Brc1c(Nc2ccccc2)nc2-c1ccccc2	PC-id_122378930	299.165	IQMCFBHPTDTRKA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-035151
CC(C)C1=NC=CN=C1NC(=O)C2=CN=C3N2CCCCC3	EMOLS-id_317777844,MCULE-5262393671,PC-id_154784579	299.175	ZWNGYVXVGNFBEO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035152
Cc1ccc(C(C)C)c(OCc2nnc3n2CCCCC3)c1	CHEMBL1323031,PC-id_2120117,CoCoCo_3803512,MCULE-1390587494,PD111300,TIMTEC33541,ZINC22_2656417,EMOLS-id_3228579	299.2	RGOYZLFWPWJHLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035153
CC(C)(C)C1CCC2=C(C(CC1)(F)F)N=NN2C(C)(C)C	PC-id_153320427	299.217	CIKQCAWJQRRRJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035154
CC(C)CC1CCCC(C2=C(C1)N(N=N2)CC(C)C)(F)F	PC-id_155258898	299.217	KMXVARQFTNQIGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035155
PCOCCOCn1c2c(nc1)c(=O)nc([nH]c2=O)N	PC-id_503428	299.223	CXDICYZKNDTZLR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-035156
CC(n1c(C(=O)O)c2c(c1C(=O)O)OCCCO2)C(=O)O	PC-id_68690199,SCHEMBL3558116	299.234	FDYKQAKBMHXJKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035157
O1c2c(OCCC1)c(n(c2C(=O)O)CCC(=O)O)C(=O)O	PC-id_68690196,SCHEMBL3558112	299.234	GHDPJQCMKUVIQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035158
O=CC1=CC(=O)Oc2c(OC1=O)n(cc2)Nc1ccncc1	PC-id_140351875	299.238	LRIYYTNIMUQCKG-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-035159
CNCCc1c(C)n(c2=C(Cl)C=CCC(=c12)Cl)CC	PC-id_142130535	299.239	JTSNJASTOSCHFB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-035160
C1CCC(CCCCCc2ccc(o2)CC1)Br	PC-id_134831409	299.247	GNHYTFWNALZTIJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035161
O=C(c1[nH]nc(c1)C(F)(F)F)N1CCCc2c(C1)cco2	EMOLS-id_100663784	299.248	IPIDQHXRFHBCPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035162
O=C(c1[nH]ncc1C(F)(F)F)N1CCCc2c(C1)cco2	EMOLS-id_319928872,MCULE-3173487689	299.248	MEGPCRCQEICSGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035163
Brc1nc2n(c1CCCCCCCCCC2)C	PC-id_101477472	299.25	IEIVLQIBSSMELE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035164
O=C(c1[nH]ncc1C(F)(F)F)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318315660	299.252	VZNBOVMGQGBKJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035165
O=CC1=Nn2cc(nc2CC=C1)NC(=O)c1ccnc(c1)F	PC-id_144654305	299.26	INDYXBJCAOCFET-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-035166
C1CN(CCn2c1nn(c2=O)CC#N)C(=O)c1ncncc1	PC-id_91922551	299.288	SMGUKPCQKPFNBC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035167
O=C1CN(CCc2c1ccs2)S(=O)(=O)C(F)(F)F	SCHEMBL2836040,PC-id_68409707	299.29	SBTBQPAITADHOO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035168
CC1CN(Cc2occ(c2)C(F)(F)F)Cc2c(C1)[nH]nc2	MCULE-7425901038,EMOLS-id_319884875	299.292	CNKSJDLHISVQLT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-035169
Cn1nc(C(F)(F)F)cc1CN1CCCc2n[nH]cc2C1	EMOLS-id_320366702,ZINC22_668840710,PC-id_139020678,MCULE-5113765167	299.295	DKSYDDXZARYUKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035170
COc1ccc(c(c1)F)NC(=O)c1coc2c1CC=CC=C2	PC-id_141951859	299.296	DFJFROHEGQWAKG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-035171
Fc1ccc2c(c1C(=O)N1CCCc3c(C1)cco3)nc[nH]2	EMOLS-id_318856890	299.3	UKVJJFHWRJRDQX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035172
N#Cc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cco2)F	EMOLS-id_316684782	299.3	PLRGWJZGLKSSNO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035173
O=C(c1ccc2c(c1F)nc[nH]2)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319493184	299.303	LPJJRNSTIIMINA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035174
C1C(c2c(NC=N1)n(cn2)Cc1ccc(cc1)CC(=O)[O-])O	PC-id_91931332,BindingDB_PC-id_91931332	299.305	HMGNIGRXYXZJKK-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-035175
O(c1c(C=[NH+]NC2=NN=C(N)Cc3n2cnn3)cccc1)C	PC-id_26478084	299.311	JLFZQMYZENPNES-UHFFFAOYSA-O	00000000100000110111000000000010000000000000000000000000	31-01-035176
F[C@@H]1CN(C[C@@H]1F)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_320140018,MCULE-1318876603	299.32	GCQYXAFDSJXAIV-AOOOYVTPSA-N	00000010100000000101000000000010000000000000000000000000	31-01-035177
O=C1C(N)CCn2c(N1C)cc(n2)CCN1CC(C1)(F)F	SCHEMBL18367446	299.32	DNACOTBOWSGMMZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-035178
O=C(C1CCCCC1(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102176435	299.32	ZCJVUAUFVNDHSN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-035179
O=C(C1NCC(C1)(F)F)NCc1nnc2n1CCCCC2	PC-id_120351156	299.32	BSLHJLKBVYSKGB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-035180
O=C(N1CCC(C1)(F)F)NCc1nnc2n1CCCCC2	EMOLS-id_102716288	299.32	ZQTBIUKKJAWQTF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-035181
O=C(N1CCCn2c(C1)cc(n2)N)NC1CCCC1(F)F	MCULE-4237998842,EMOLS-id_319886307	299.32	RPHGGUWZCKHIPT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-035182
C1Cc2c(C(=O)C1)c(co2)C(=O)N1CCCc2c(C1)cco2	MCULE-2606504340,PC-id_136546413,EMOLS-id_316895084	299.321	ISQWZLDLOISTQB-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-035183
COc1ccc(cc1)NC(=O)c1coc2c1C(=O)CCCC2	SCHEMBL6946594,PC-id_9839264	299.321	KJGYWEJKSSJUSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035184
O=C(N1CCCc2c(C1)cco2)Cc1cccc(c1)C(=O)O	EMOLS-id_318580344	299.321	OGNXBIUICLHBNI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035185
O=C(N1CCCc2c(C1)cco2)Cc1ccc(cc1)C(=O)O	EMOLS-id_318752802	299.321	FSGDVDWYPWAMKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035186
OC(=O)Cc1cccc(c1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_318708816	299.321	TWYKCYXJUJWZJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035187
OC(=O)Cc1ccc(cc1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_318712566	299.321	KBPJKISMTUKTHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035188
OC(=O)c1c2-c(c(c1C=Cc1ccccc1)C#N)ccccc2	PC-id_86005067	299.323	WQAVZKFMOFCQSP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-035189
c12cnn(Cc3ccccc3)c1CCCN(CC(=O)O)C2=O	MCULE-8159443078,EMOLS-id_49745917,PC-id_86820449	299.324	QFKNXKHYFQHCFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035190
c12C(=O)N(CCCn1nc(C(=O)O)c2)Cc1cccc(C)c1	EMOLS-id_31512472,MCULE-4751860039,PC-id_53213603	299.324	QWQRWMGDFBTXCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035191
c12C(=O)N(CCCn1nc(C(=O)O)c2)CCc1ccccc1	MCULE-9474372302,EMOLS-id_49266686	299.324	LOWNWGLTYPMULG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035192
c12C(=O)N(CCCn1nc(C(=O)OC)c2)Cc1ccccc1	PC-id_53396503,EMOLS-id_42975114,MCULE-6966878283,ZINC22_72119979	299.324	RHRVESXRSCZDIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035193
C1Cn2cc(nc2CNC1C(=O)OCc1ccccc1)C=O	PC-id_87508476,SCHEMBL3308917	299.324	AZWSSZIWVPZGBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035194
c1(C(=O)Nc2ccc3c(OCO3)c2)c2CCCCCc2n[nH]1	STOCK7S-47520,EMOLS-id_50400506,MCULE-7786947762,ZINC22_96232308,EMOLS-id_49249441,PC-id_75357083	299.324	JZLBODAEDVMINH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035195
c1(C(=O)Nc2ccccc2C(=O)N)c2CCCCCc2on1	MCULE-5429558153,EMOLS-id_21980609,TIMTEC561865,ZINC22_20494633,PC-id_17254333	299.324	XYQZSCZJLMMQHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035196
c1(C(=O)Nc2ccc(cc2)C(=O)N)c2CCCCCc2on1	PC-id_45492378,MCULE-6371703416,EMOLS-id_29923637,STOCK6S-88779,ZINC22_36357513	299.324	CXIFGBRDJWGAKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035197
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)OCO2	EMOLS-id_319097033	299.324	MWCWPDIXMYHCRN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035198
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2c1OCO2	EMOLS-id_319205390	299.324	LKZIOZXMJNMACD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035199
CC(=O)Nc1cnccc1C(=O)N1CCCc2c(C1)cco2	MCULE-6488908285,EMOLS-id_320288875	299.324	XJBJOUVXRXUPEF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035200
Cn1c2c(CN(C(=O)c3cc4c(OCO4)cc3)CCC2)cn1	ART-19177687,MCULE-7175808737,ZINC22_19289660,EMOLS-id_365240,PC-id_92566465	299.324	JGYMCECLNHTLFR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035201
COc1ccncc1NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL8051137,PC-id_18696552	299.324	IRHCBTFSFPJGPK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035202
O=C1N2C(C1=Cc1nc3n(CCCCC3)c1)CC=C2C(=O)O	PC-id_68556863,SCHEMBL3227249	299.324	RYFUWGFAIMCFPQ-UHFFFAOYSA-N	00001011100000000101001000000010000000000000000000000000	31-01-035203
O=C1N(CCCn2c1cc(c2)C(=O)NO)Cc1ccccc1	SCHEMBL2524989,PC-id_58465665	299.324	DRYYECPZENUTEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035204
O=C(c1cc(O)nc(C2CC2)n1)N1CCCc2occc2C1	ZINC22_571580218	299.324	OVWUNJXMHQMFEG-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-035205
O=C(c1cnc([nH]c1=O)C1CC1)N1CCCc2c(C1)cco2	EMOLS-id_278814184	299.324	RRNASTGNJCYWHH-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-035206
O=C(c1coc2c1C(=O)NCCC2)N[C@@H](c1ccncc1)C	EMOLS-id_318933759	299.324	MVFAXSFZPBWBPW-SNVBAGLBSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035207
O=C(N1CCCCc2c1ccn2C)c1ccc(cc1)[N+](=O)[O-]	PC-id_101942641	299.324	LTAHPKLUJTVPBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035208
O=C(N1CCN(CC1)C)c1c2-c(c([N+](=O)[O-])c1)ccccc2	PC-id_3042906	299.324	HEHVCCXSFWPXKE-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-035209
OC(=O)C1=CCC2N1C(=O)/C/2=C/c1nc2n(c1)CCCCC2	SCHEMBL3227244	299.324	RYFUWGFAIMCFPQ-DHZHZOJOSA-N	00001011100000000101001000000010000000000000000000000000	31-01-035210
O(C(=O)C1=CC(=CNc2n1c(c(c2C#N)C)C)C(=O)C)CC	PC-id_21788741	299.324	KFLRUTOFWAPRHJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-035211
c12CN(CCCn1nc(CO)c2)Cc1cccc2nonc12	MCULE-1865102562,PC-id_90651761,ZINC22_221236503,EMOLS-id_50542105	299.328	KYXRWSGITFUMRU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035212
c1(cc(cn1C)C#N)C(=O)N1CCCn2nc(CO)cc2C1	PC-id_91787896,MCULE-6284297302,ZINC22_217637795,EMOLS-id_55682653	299.328	QASNXUAZEXBQTP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-035213
c1(cc(on1)CCC)C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_584903949,EMOLS-id_177510521,MCULE-5366952239	299.328	UVQJLOFIEHFTPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035214
CC1CN(Cc2nnc(o2)c2ccco2)Cc2c(C1)[nH]nc2	EMOLS-id_319032960	299.328	MLVDWWIDPGLTOJ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-035215
CCc1occ(n1)C(=O)C(c1nnc2n1CCCCC2)C#N	EMOLS-id_100293981	299.328	GCOUHZMFCYMINK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035216
N#CC(c1nnc2n1CCCCC2)C(=O)c1nc(oc1C)C	EMOLS-id_98351125	299.328	QJCNNSZNECICFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035217
N#CC(c1nnc2n1CCCCC2)C(=O)c1oc(nc1C)C	EMOLS-id_99455465	299.328	WJNBEDJUFGGBAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035218
O=C1N(c2n(nnc2N(C(=O)C1)C)CCc1ccccc1)C	PC-id_10040382	299.328	SIEQNDRAHHLQEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035219
O=C1N(c2n(nnc2N(C(=O)C1C)C)Cc1ccccc1)C	PC-id_10334901	299.328	BGWRCJCCEADXCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035220
O=C1N(CC(=O)N(c2nc(n(c12)Cc1ccccc1)N)C)C	PC-id_627006	299.328	LCFUKRXRLIMGBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035221
O=C(C1Cc2c(O1)cccc2)NC1CCc2n(CC1)nnn2	EMOLS-id_102168166	299.328	QBRPMSDHGFCCBJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035222
O=C(c1ccc2c(c1)OCC2)NC1CCn2c(CC1)nnn2	EMOLS-id_319676554	299.328	PLFRVUYVVRNSTL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035223
O=C(c1cccc2c1COC2)NC1CCn2c(CC1)nnn2	EMOLS-id_319698619	299.328	HLJKLOFUTFAAAU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035224
O=C(c1cc(O)nc(C2CC2)n1)N1CCCc2n[nH]cc2C1	ZINC22_663190574	299.328	HWXAGEQVLWPRQO-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-035225
O=C(C(n1nnc2c1CCCC=C2)C)N/N=C/c1ccco1	PC-id_143034333	299.328	JOZMJVIDBPDBJE-MHWRWJLKSA-N	00000000101000000111000000000010000000000000000000000000	31-01-035226
c1coc(CN2CCCn3nnc(Cn4cnnc4)c3C2)c1	PC-id_97519639,EMOLS-id_44370662,ZINC22_96259557	299.331	QZMWOLUQFLZFHY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-035227
CC=CC(=CC(C)F)CC(=O)c1c2-c(ccccc2)[nH]c1=O	PC-id_90752374	299.339	DERDPCWUOOUIGK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035228
Fc1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_318957724	299.339	DQMNWGYZFPRLGI-JKSUJKDBSA-N	00100000100000110100100000000010000000000000000000000000	31-01-035229
O=c1sc2c(n1Cc1nccn1C(F)F)CCCCC2	MCULE-5777103854,EMOLS-id_48251761,ZINC22_95409163,PC-id_97222233	299.34	UOYWRIBIHHTEDK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035230
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1Cc2c1cc(cc2)F	EMOLS-id_318942109	299.343	GTQVULKZPWYAKY-UHFFFAOYSA-N	00001000100000100101001000000010000000000000000000000000	31-01-035231
CC1CN(Cc2nnc(s2)C(F)F)Cc2c(C1)[nH]nc2	MCULE-3180036663,EMOLS-id_319851223	299.343	NVYVYUJKFYVMQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035232
CCOC(=O)N1CCc2c(CC1)c(c(s2)C(=O)O)OC	SCHEMBL3007349,PC-id_59302570	299.343	BTUOTHXFSOSPOT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035233
Fc1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCCc2c(C1)c[nH]n2	MCULE-7824039667,EMOLS-id_318351955	299.343	DKTYSCVGOHVHHW-LSDHHAIUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-035234
FC(c1nnc(s1)NCc1cnc2n1CCCCC2)F	MCULE-5997668133,EMOLS-id_318733337	299.343	BSJWOKRXPBKYNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035235
O=CC1=Cc2ccsc2C=C(C1)/C=C/1CC(=O)N(C1=O)C	PC-id_122229315	299.344	IHCUGQDVNHODFB-WLRTZDKTSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035236
O=CC1=Cc2sccc2C=C(C1)/C=C/1CC(=O)N(C1=O)C	PC-id_122229316	299.344	MIMYRAJSDSKIJM-AWNIVKPZSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035237
N#Cc1ccc(c(c1)F)CNCc1nnc2n1CCCCC2	EMOLS-id_318604253,MCULE-1180268280	299.346	VZQCLDXQBMBGEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035238
CCOC(=O)c1c(Nc2nccs2)nc2-c1ccccc2	PC-id_101479879	299.348	AUJAARWWAURNKE-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-035239
O=C(c1cccn2c1nnn2)N1CCCc2c(C1)ccs2	MCULE-5894555440,EMOLS-id_320202216	299.351	YRPOVITXVIMWJJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035240
FCC(C(=O)O)NC(=O)c1sc2c(c1)CCCCCC2	PC-id_121946284	299.361	OOSOYLXGJHIELU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035241
CC(C1CCC(CC1)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102000609	299.363	CZMRJFYBJWTMBA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-035242
CCC(C(=O)N1CCCc2c(C1)cco2)(c1ccccc1)O	EMOLS-id_318599906	299.364	IRHTWZMUWKDCQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035243
C[C@H]1Cc2c([C@@H]([C@H](C1=O)C)C)oc(=O)n2Cc1ccccc1	PC-id_122383314	299.364	RDGFJDSGECKHSG-YNEHKIRRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035244
C[C@@H]1Cc2c([C@H]([C@@H](C1=O)C)C)oc(=O)n2Cc1ccccc1	PC-id_122383315	299.364	RDGFJDSGECKHSG-AGIUHOORSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035245
C[C@@](O)(CC(=O)N1CCCc2occc2C1)c1ccccc1	ZINC22_292991147	299.364	KHFYFCCZNWEHGQ-GOSISDBHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035246
C[C@](O)(CC(=O)N1CCCc2occc2C1)c1ccccc1	ZINC22_292991152	299.364	KHFYFCCZNWEHGQ-SFHVURJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035247
Oc1cccc(c1)C(C(=O)N1CCCc2c(C1)cco2)(C)C	EMOLS-id_318875301	299.364	DOASXXITOZZELV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035248
Oc1cc(ccc1C(=O)N1CCCc2c(C1)cco2)C(C)C	EMOLS-id_100970329	299.364	SXJQDCBUUNKOPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035249
O=C(C(Cc1ccccc1)(O)C)N1CCCc2c(C1)cco2	EMOLS-id_318653784	299.364	AGLURWCFIREMCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035250
O(CC(=O)N(CC)CC)CC(=O)c1c2-c(cc1)ccccc2	PC-id_72712318	299.364	AYUACJUFRSQIOX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035251
O=C(N1CCCc2c(C1)cco2)CC(c1ccccc1)(O)C	EMOLS-id_316929831,MCULE-7189307013	299.364	KHFYFCCZNWEHGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035252
OC(=O)[C@@H](NC(=O)c1c2-c(cc1)c(cccc2)C)CC(C)C	PC-id_24839918	299.364	OFRAHEQKAMSVKQ-INIZCTEOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035253
OC(=O)C(NC(=O)c1c2-c(cc1)c(cccc2)C)CC(C)C	PC-id_74329865	299.364	OFRAHEQKAMSVKQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035254
c12CN(CCCn1nc(CO)c2)C(=O)c1cccc(C)c1C	PC-id_91778433,MCULE-9281236846,EMOLS-id_55655234	299.368	VUTOCAZSOCUJRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035255
c12cncn1CCCN(C(=O)Cc1ccc(cc1)OCC)C2	PC-id_56885817,EMOLS-id_43072365,MCULE-3780076176,SCHEMBL16094387,ZINC22_72129758	299.368	CWXFECLENTWHJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035256
c12cncn1CCCN(C(=O)COc1ccc(c(C)c1)C)C2	PC-id_56899928,MCULE-8828057199,ZINC22_72164555,EMOLS-id_43129873	299.368	UXCVDCUFSZYLHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035257
c12cnn(C)c1CCCN(C(=O)c1ccc(cc1)COC)C2	PC-id_92566462,ZINC22_19289657,ART-19177692,MCULE-7907167152,EMOLS-id_365242	299.368	URGRKDKEVOGQPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035258
c12cnn(C)c1CCCN(C(=O)c1ccc(cc1)OCC)C2	EMOLS-id_365244,PC-id_92593585,ART-19177708,MCULE-5816249510,ZINC22_19532603	299.368	LOEVZAYGQNTRSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035259
c12cnn(C)c1CCCN(C(=O)Cc1cccc(OC)c1)C2	MCULE-3220421022,PC-id_92566456,ZINC22_19289645,ART-19035188,EMOLS-id_360460	299.368	FHMXMPBZEMDIMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035260
c12C(=O)NCCCc1[nH]c(Cc1cccc(OC(C)C)c1)n2	ZINC22_65406390,EMOLS-id_32399878,MCULE-8236532225,PC-id_50964883	299.368	LQXUWYWDIKLHFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035261
c12C(=O)NCCCc1[nH]c(CCc1ccccc1OCC)n2	EMOLS-id_49867478,PC-id_77079181,ZINC22_215000370,MCULE-3738002204	299.368	WZHSUMIKEFYURD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035262
c12C(=O)NCCCc1[nH]c(COc1c(C)cc(cc1C)C)n2	MCULE-1547833484,PC-id_50966821,ZINC22_65409631,EMOLS-id_32403526	299.368	NFMPDGDMTWNNHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035263
c12C(=O)NCC(C)(C)Cc1[nH]c(CCOc1ccccc1)n2	PC-id_72889758,EMOLS-id_46625818,ZINC22_95372445,MCULE-2589981388	299.368	UNSLCGXQSYRJLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035264
c1(C(=O)Nc2cccc(OC)c2)c2CCCCCCc2[nH]n1	BDD-25323788,PC-id_110089355,EMOLS-id_46576497,MCULE-7616039059,ZINC22_257227908	299.368	FRNDCTWOWPJCTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035265
c1(C(=O)NCc2ccccc2OC)c2CCCCCc2[nH]n1	ZINC22_96232613,MCULE-3086071728,EMOLS-id_49249974,STOCK7S-47797,EMOLS-id_50403075,PC-id_75490765	299.368	DSNSAWAKWPBQON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035266
c1(C(=O)NCCc2ccc(cc2)O)c2CCCCCc2n[nH]1	EMOLS-id_49247550,MCULE-8436198654,EMOLS-id_50402823,ZINC22_96231217,STOCK7S-46542,PC-id_75489687	299.368	RXDVBMZQKWBJKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035267
Cc1ccccc1Cc1nnc2n1CCC(CC2)C(=O)OC	PC-id_136557112,EMOLS-id_316951372,MCULE-1452466215	299.368	AAQCMZVIQHLXPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035268
Cc1ccccc1CC(=O)N1Cc2ccnn2CCC1CO	EMOLS-id_313817646	299.368	ZBTCHBZNCHOMAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035269
Cc1ccccc1CC(=O)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585098511	299.368	ZBTCHBZNCHOMAM-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035270
Cc1ccccc1CC(=O)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585098516	299.368	ZBTCHBZNCHOMAM-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035271
CC1CCC(CC1)NC(=O)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_319525224	299.368	PTRJYPKWESRKMW-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-035272
Cc1cccc(c1)OCC(=O)N1CCCn2c(C1C)ncc2	EMOLS-id_96073943,MCULE-1478347431	299.368	MAAQJUVCNQLSSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035273
Cc1ccc(CC(=O)N2Cc3ccnn3CCC2CO)cc1	EMOLS-id_313819424	299.368	ZWWMHUZHQCJZIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035274
Cc1ccc(CC(=O)N2Cc3ccnn3CC[C@H]2CO)cc1	ZINC22_585098637	299.368	ZWWMHUZHQCJZIK-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035275
Cc1ccc(CC(=O)N2Cc3ccnn3CC[C@@H]2CO)cc1	ZINC22_585098640	299.368	ZWWMHUZHQCJZIK-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035276
Cc1ccc(nc1)CCNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_316923760,MCULE-6908356193	299.368	UZYFBZDNXOQZKH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035277
CC1CCn2c(C1)nc(c2)C(=O)N1CCCc2c(C1)cco2	MCULE-9423661769,EMOLS-id_319857079	299.368	UVDPRPFOBIOENF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035278
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c(o1)CCCC2	EMOLS-id_319297883	299.368	JDHKYGDIPGTCFH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035279
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1C)O	EMOLS-id_318839017	299.368	JJGHFUYBBBWNHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035280
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@](c1ccccc1)(O)C	MCULE-8145348152,EMOLS-id_319869365	299.368	AIWOGTWEGCSHEY-TYJDENFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035281
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1cccc(c1)O	EMOLS-id_319302330	299.368	XKPHLHUPRMCMCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035282
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1ccc(cc1)C	EMOLS-id_318872095	299.368	REHMFMVXOITRBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035283
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Oc1ccccc1)C	MCULE-3298621857,EMOLS-id_320011634	299.368	YZAJAGSZUUMBFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035284
CCc1ccc(cc1)C(=O)N1Cc2ccnn2CCC1CO	EMOLS-id_313743285	299.368	YCSKJJVNTVPSPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035285
CCc1ccc(c(c1)O)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101676542	299.368	CKPPMAFLNMXWJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035286
CCc1cc(ccc1O)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845204	299.368	MBHJMVLXEZGYDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035287
CCc1cc(ccc1O)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319853299,MCULE-2915267533	299.368	LMQQOHCVTWNHPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035288
CCc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2CO)cc1	ZINC22_585098427	299.368	YCSKJJVNTVPSPM-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035289
CCc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2CO)cc1	ZINC22_585098428	299.368	YCSKJJVNTVPSPM-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035290
CCc1ccnc(c1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100960608	299.368	QJKSQTMTCPPFBQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035291
CCc1ccnc(c1)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318501895	299.368	VVZDWPDJAQPLMZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035292
CCc1cnccc1CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318584848	299.368	QOOOZKLXPWPIPA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035293
CCC(c1ccncc1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318505864	299.368	ANMFIZVESPNMNO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035294
CCCC(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575405905	299.368	KQPHHLFTYDLNME-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035295
CCCC(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575405912	299.368	KQPHHLFTYDLNME-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035296
CC(C)C(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575406788	299.368	TUNNFYFQBWEPNT-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035297
CC(C)C(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575406789	299.368	TUNNFYFQBWEPNT-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035298
CCCC(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751677	299.368	KQPHHLFTYDLNME-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035299
CC(C)C(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751817	299.368	TUNNFYFQBWEPNT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035300
CC[C@H](c1ccccn1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_316566647	299.368	TURKGGQRVFCWGU-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035301
CC(C)Nc1ncccc1C(=O)N1CCCc2occc2C1	MCULE-2778404641,EMOLS-id_177245578,ZINC22_290694526	299.368	QBAPTEGFQGKLFY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035302
CC(CN(C(=O)Cn1c(=O)nc2-c1ccccc2)C1CC1)C	EMOLS-id_318893179	299.368	YPTPBCIRDJVDLV-UHFFFAOYSA-N	00100010100000000111000000000010000000000000000000000000	31-01-035303
CCCOc1ccccc1C(=O)N1CCCn2cncc2C1	EMOLS-id_43113901,MCULE-2507111785,PC-id_56895893,ZINC22_72153813	299.368	YPIBXHBMTFVXGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035304
C[C@H](N(C(=O)c1noc2c1CCCCC2)C)c1cccnc1	EMOLS-id_318886360	299.368	GAEXSMLEUCLCDQ-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035305
CC(Nc1ccc(cn1)C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_318770450	299.368	RZCCFABSTKAQOK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035306
CC(NC(=O)N1CCCc2c(C1)cco2)Cc1cccnc1	EMOLS-id_318626966	299.368	YUPANWATXAZLOT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035307
CC(NC(=O)N1CCCc2c(C1)cco2)Cc1ccncc1	EMOLS-id_318429895	299.368	TUOQGKPQGQZZHN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035308
CCOc1ccc(cc1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-4305595727,EMOLS-id_320131420	299.368	YUYYTVUWZQLMFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035309
CCOc1cccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-9779235443,EMOLS-id_319845342	299.368	GDJAHBAYXOJHIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035310
CCOc1ccccc1NC(=O)c1n[nH]c2CCCCCc12	MCULE-5997467000,EMOLS-id_323252662	299.368	LBGHKPFKLADDCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035311
CCOc1cccc(NC(=O)c2n[nH]c3CCCCCc23)c1	MCULE-2476821085,EMOLS-id_334987149	299.368	FRHKVIUMXDXKHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035312
CCOc1ccc(NC(=O)c2c3c(CCCCC3)[nH]n2)cc1	EMOLS-id_323248831,MCULE-1008188065	299.368	RXXZKACTCSYGIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035313
CCOC1CN(Cc2cccn2C1)C(=O)Cc1ccccn1	EMOLS-id_50007896	299.368	SVQDAHAYYSTHLE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035314
CCOCC1CN(Cc2cncn2C1)C(=O)c1ccccc1	EMOLS-id_49230011	299.368	ONUGKVRQXFLFTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035315
CCOC[C@H]1CN(C(=O)c2ccccc2)Cc2cncn2C1	PC-id_97475472,ZINC22_96207345	299.368	ONUGKVRQXFLFTE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035316
CCOC[C@@H]1CN(C(=O)c2ccccc2)Cc2cncn2C1	PC-id_97475473,ZINC22_96207346	299.368	ONUGKVRQXFLFTE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035317
CCO[C@@H]1CN(C(=O)Cc2ccccn2)Cc2cccn2C1	ZINC22_253385493	299.368	SVQDAHAYYSTHLE-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035318
CCO[C@H]1CN(C(=O)Cc2ccccn2)Cc2cccn2C1	ZINC22_253385494	299.368	SVQDAHAYYSTHLE-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035319
CCOC(=O)C1CN(Cc2ccccc2)Cc2ccnn2C1	EMOLS-id_295412884,MCULE-9641978009	299.368	SBNMRCPTSNEUKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035320
CCOC(=O)[C@H]1CN(Cc2ccccc2)Cc2ccnn2C1	ZINC22_953019127	299.368	SBNMRCPTSNEUKS-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035321
CCOC(=O)[C@@H]1CN(Cc2ccccc2)Cc2ccnn2C1	ZINC22_953019128	299.368	SBNMRCPTSNEUKS-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035322
CN(c1cccc(c1)NC(=O)c1noc2c1CCCCC2)C	MCULE-3707197993,EMOLS-id_320131920	299.368	YITYAVRPAVNEIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035323
COc1cc(ccc1C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318883915	299.368	YCFARJCWKJCENO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035324
COc1ccc(c(c1)C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318648458	299.368	LHXZTZSUGZDIMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035325
COc1ccc(cc1C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318664515	299.368	UGMIYJVJQAXTII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035326
COc1cccc(c1C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318783773	299.368	DHSJHOLARHIBAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035327
COc1ccc(cc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_318978110	299.368	VFRCPBWJWPVFFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035328
COc1cccc(c1NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318394614	299.368	VLHLORWRLOCSTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035329
COc1ccc(cc1NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318555425	299.368	XTLQQWPGNFQNAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035330
COc1cc(C)ccc1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318699741	299.368	QDGVIZXLNNOSHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035331
COc1ccc(C)cc1NC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_323255733,MCULE-3111265987	299.368	JFLBOBAIVQEFSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035332
COc1ccc(CNC(=O)c2c3c(CCCCC3)[nH]n2)cc1	MCULE-8595680514,EMOLS-id_323248566	299.368	FFCQZRDSSNNTIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035333
COc1nn(c2c1CCCN(C2)C(=O)Cc1ccccc1)C	PC-id_97413466	299.368	LLIRTDSJRGEUMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035334
COc1nn(C)c2c1CCCN(C(=O)c1ccccc1C)C2	EMOLS-id_44366612,PC-id_97515503,ZINC22_96254452	299.368	WBPQXEQIFUJRHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035335
COc1nn(C)c2c1CCCN(C(=O)c1ccc(C)cc1)C2	PC-id_97515506,EMOLS-id_44366616,ZINC22_96254455	299.368	JAJABAWJQMARAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035336
COc1nn(C)c2c1CCCN(C(=O)c1cccc(C)c1)C2	ZINC22_96254454,PC-id_97515505,EMOLS-id_44366614	299.368	WFTKYQIDRLNDTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035337
COCC1CN(Cc2nccn2C1)C(=O)Cc1ccccc1	EMOLS-id_44325783	299.368	SEQRWHNDBHSGGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035338
COCCC1CN(Cc2cccn2C1)C(=O)c1ccccn1	EMOLS-id_313746358	299.368	VUFPDCRVOZILSV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035339
COCCC1CN(Cc2cccn2C1)C(=O)c1cccnc1	EMOLS-id_313838889	299.368	KCKYFDLMJXTCFC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035340
COCC[C@@H]1CN(C(=O)c2ccccn2)Cc2cccn2C1	ZINC22_585095539	299.368	VUFPDCRVOZILSV-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035341
COCC[C@H]1CN(C(=O)c2ccccn2)Cc2cccn2C1	ZINC22_585095540	299.368	VUFPDCRVOZILSV-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035342
COCC[C@@H]1CN(C(=O)c2cccnc2)Cc2cccn2C1	ZINC22_585094647	299.368	KCKYFDLMJXTCFC-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035343
COCC[C@H]1CN(C(=O)c2cccnc2)Cc2cccn2C1	ZINC22_585094648	299.368	KCKYFDLMJXTCFC-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035344
COC[C@H]1CN(C(=O)Cc2ccccc2)Cc2nccn2C1	PC-id_97462205,ZINC22_96187750	299.368	SEQRWHNDBHSGGS-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035345
COC[C@@H]1CN(C(=O)Cc2ccccc2)Cc2nccn2C1	ZINC22_96187751,PC-id_97462206	299.368	SEQRWHNDBHSGGS-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035346
COC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)c1ccccc1	MCULE-5751037979,EMOLS-id_320243065	299.368	PLQHNXNKNWZKHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035347
CO[C@@H](C(=O)N1CCCc2c(C1)cnn2C)c1ccccc1	EMOLS-id_318018560	299.368	RTZJDOANBGOBPP-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035348
COC(=O)C1CCc2n(CC1)c(nn2)CCc1ccccc1	EMOLS-id_316949839,MCULE-7721201743,PC-id_136557146	299.368	TZUFOLXNCQVOEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035349
COC(=O)[C@@H]1CCc2nnc(Cc3ccccc3C)n2CC1	ZINC22_601043437	299.368	AAQCMZVIQHLXPK-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035350
COC(=O)[C@H]1CCc2nnc(CCc3ccccc3)n2CC1	ZINC22_601044936	299.368	TZUFOLXNCQVOEG-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035351
COC(=O)[C@@H]1CCc2nnc(CCc3ccccc3)n2CC1	ZINC22_601044937	299.368	TZUFOLXNCQVOEG-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035352
n12cnc(C(=O)OCC)c1CN(Cc1ccccc1)CCC2	PC-id_57635220,MCULE-2656833031,SCHEMBL12866917	299.368	LYOPUDBFQDVDBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035353
N#CC1(CCC1)N(C(=O)c1noc2c1CCCCC2)C1CC1	EMOLS-id_98224448	299.368	MCNCHIZVEVZNMA-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-035354
NCc1cc(cc(c1)C)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_102144270	299.368	MXRKIPXOMYMHAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035355
Oc1cccc(c1)CCC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318478034	299.368	JXZROLXCSYQGHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035356
Oc1ccc(c(c1)C)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318979163	299.368	QZJDJSGAZLOKMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035357
Oc1cccc(c1)C(C(=O)N1CCCc2c(C1)c[nH]n2)(C)C	EMOLS-id_318852549	299.368	WUAFOHUYJBGVRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035358
Oc1ccc(cc1)CN(C(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318670670	299.368	GPQASVAXLKTDNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035359
Oc1cccc(c1)CN(C(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318755893	299.368	FYXRQFMJJOQZPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035360
O=C(c1c2c(CCCCC2)[nH]n1)NCCOc1ccccc1	EMOLS-id_334967952,MCULE-1131698035	299.368	QZLANLOKGVLUKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035361
OCc1ccccc1CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319397631	299.368	ZGSPSMFODSLIBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035362
OCc1ccc(cc1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318332288	299.368	HKLOYMKAMLDPJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035363
O=C(c1ccc(c(c1O)C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101670142	299.368	XDSNROOQPLFGDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035364
OCC1CCn2nccc2CN1C(=O)CCc1ccccc1	EMOLS-id_313818927	299.368	PHSWZAPAVMNSHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035365
O=C(c1ccnn1C1CCCC1)N1CCCc2c(C1)cco2	EMOLS-id_99372595	299.368	MYOUJKOVSAXYOE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-035366
O=C(c1cnc2n1CCCCC2)N1CC(C1)Cc1ccoc1	EMOLS-id_320048671,MCULE-2332007961	299.368	BSJPNNVKBAAJMR-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-035367
O=C(c1cnn(c1)C1CCCC1)N1CCCc2c(C1)cco2	EMOLS-id_320309547,MCULE-3023659169	299.368	RJWHUNRREHXDPO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-035368
OC(c1[nH]c2CC(CNC(=O)c2n1)(C)C)Cc1ccccc1	PC-id_50970725	299.368	FSJRGZVGIOSPAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035369
O=C(c1nn(c2c1CCCC2)C)N1CCCc2c(C1)cco2	EMOLS-id_101307927	299.368	GEMQVAKVNUWZGK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035370
O=C(c1noc2c1CCCCC2)NCCCc1cccnc1	EMOLS-id_319177315	299.368	RCIFCWRVPUBEOH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035371
O=C(CCc1ccccc1)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585097665	299.368	PHSWZAPAVMNSHU-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035372
O=C(CCc1ccccc1)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585097672	299.368	PHSWZAPAVMNSHU-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035373
OCC(C(=O)N1CCCc2c(C1)cnn2C)c1ccccc1	EMOLS-id_318040234	299.368	LMXSDKRVELWYHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035374
OC[C@H](c1ccccc1)NC(=O)c1c2c(CCCCC2)[nH]n1	EMOLS-id_323252663,MCULE-1687266870,PC-id_66635847,SCHEMBL257731	299.368	GHHSHAGJQMPSPZ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035375
O=C(Cn1c(=O)nc2-c1ccccc2)NC1CCCCC1C	EMOLS-id_319102083	299.368	WENYRBXNLXLGCK-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-035376
O=C(N1CCc2c(CC1)nc[nH]2)OCCCc1ccccc1	PC-id_142022573	299.368	WJFFXSAEIMFARQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035377
O=C(N1CCCc2c(C1)cco2)Cc1cnn2c1CCCC2	EMOLS-id_316705054	299.368	BIPUVEWLXHXSMD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035378
O=C(N1CCCc2c(C1)cco2)NCc1ccc(c(n1)C)C	EMOLS-id_101626069	299.368	XVHHMGJJBMXSDC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035379
O=C(N1CCCc2c(C1)cco2)NCc1cc(C)nc(c1)C	EMOLS-id_102163102	299.368	ZAIMUVHBTIRBBY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035380
O=C(N1CCCc2c(C1)cco2)NCc1cnc(cc1C)C	EMOLS-id_101588736	299.368	WDKYZXRSOLTVSZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035381
O=C(N1CCCc2c(C1)cco2)NCCc1cccc(n1)C	EMOLS-id_318707411	299.368	ZRASWOFCLIMULH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035382
O=C(N1CCCc2c(C1)cco2)NCCc1ccc(nc1)C	EMOLS-id_318614889	299.368	YXBRTEOYFYQISP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035383
O=C(N1CCCc2c(C1)cco2)NCCc1ccncc1C	EMOLS-id_318496383	299.368	QAMIKKZTQCPNOP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035384
O=C(N1CCCc2c(C1)cnn2C)c1cc2c(o1)CCCC2	EMOLS-id_319404177	299.368	JJYLBIVDHFPCLL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035385
O=C(N1CCCc2c(C1)cnn2C)Cc1ccc(c(c1)O)C	EMOLS-id_101674778	299.368	YRRIFIJVXOYEHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035386
O=C(N1CCn2c(C1C)ccc2)c1noc2c1CCCCC2	EMOLS-id_111824302	299.368	XCKMJZRPZQDQOK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035387
O=C(Nc1cc(OC)ccc1)Cn1nc2c(c1)CCCCC2	PC-id_5307638,CHEMBL1321186	299.368	BRQXUALZIVUDPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035388
O=C(NC(c1ccccc1)CO)c1n[nH]c2c1CCCCC2	PC-id_77156585	299.368	GHHSHAGJQMPSPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035389
O(C(=O)N1CCCc2[nH]cnc2CC1)CCc1ccccc1	PC-id_20803159	299.368	BIJBCSKFKMPEAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035390
c12CN(CCCn1nc(C#N)c2)Cc1cc(on1)CC(C)C	ZINC22_670469752,EMOLS-id_222788710,MCULE-7708069503	299.371	QOZPOMAPEYPBDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035391
c1ccc(OCc2nnc3n2CCN(CC2CC2)CC3)nc1	EMOLS-id_44369946,ZINC22_96259200,PC-id_97519285	299.371	PHENBLIUJNVFMQ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-035392
c1(C(C)NC(=O)c2ccccc2C)nnc2CCNCCn12	PC-id_118759006,EMOLS-id_68872695,MCULE-7302551526	299.371	BMQIAISNELPTGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035393
c1cnc(OC[C@@H]2CCn3nccc3CN2CC2CC2)cn1	ZINC22_585098166	299.371	VLJOFWMKEWSZPS-HNNXBMFYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-035394
c1cnc(OC[C@H]2CCn3nccc3CN2CC2CC2)cn1	ZINC22_585098167	299.371	VLJOFWMKEWSZPS-OAHLLOKOSA-N	00100000100000100101000000000010000000000000000000000000	31-01-035395
c1cnc(OC[C@@H]2CCn3nccc3CN2CC2CC2)nc1	ZINC22_585096915	299.371	FNSBCWPPVVGCMB-HNNXBMFYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-035396
c1cnc(OC[C@H]2CCn3nccc3CN2CC2CC2)nc1	ZINC22_585096918	299.371	FNSBCWPPVVGCMB-OAHLLOKOSA-N	00100000100000100101000000000010000000000000000000000000	31-01-035397
c1(C(=O)NCCCc2cccnc2)nnc2CCCCCn12	PC-id_77093933,MCULE-5333587610,ZINC22_216187490,EMOLS-id_49893127	299.371	OILIOWIVRKEMFK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035398
CC1(CC1)C(=O)N1CCCn2nnc(Cn3cccc3)c2C1	EMOLS-id_44370588,ZINC22_96259520,PC-id_97519603	299.371	KNJHOUZCCWZQAD-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-035399
Cc1ccc(c(c1)C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319167355	299.371	OYEJWVCOMBACRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035400
Cc1ccc(cc1)C(=O)NCCc1nnc2CCNCCn12	ZINC22_299794229,PC-id_118760424,EMOLS-id_68937308,MCULE-6162306324	299.371	JOBJWKGGPPKQKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035401
Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCNCC2	ZINC22_299755673	299.371	BMQIAISNELPTGF-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035402
Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCNCC2	ZINC22_299755674	299.371	BMQIAISNELPTGF-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035403
Cc1ccc(c(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319068807	299.371	UGXVQFSOZJIJTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035404
Cc1ccccc1NC(=O)NCc1nnc2n1CCCCC2	EMOLS-id_42862974,PC-id_72155253,ZINC22_43135343,MCULE-4125806698	299.371	PHCMLXPQNZVGIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035405
Cc1cc(C)c(c(c1)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102181038	299.371	DPCOHBCLQSNPHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035406
Cc1cccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)n1	ZINC22_29892997	299.371	XHNPRIQBZNEEQT-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035407
Cc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)n1	ZINC22_29893000	299.371	XHNPRIQBZNEEQT-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035408
Cc1cccc(n1)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316727251	299.371	ZNCMOADYHUPJCQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035409
Cc1ccc(cn1)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319559387	299.371	UQWXMMUGXSXDIR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035410
Cc1ccc(cn1)C(=O)NC(c1nnc2n1CCCCC2)C	EMOLS-id_31896950,MCULE-6767066272,PC-id_45811392	299.371	ALNKGBGNFCZOFP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035411
Cc1cccc(n1)C(=O)NC(c1nnc2n1CCCCC2)C	MCULE-7362082612,PC-id_71897671,EMOLS-id_45749407	299.371	XHNPRIQBZNEEQT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035412
Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cn1	CoCoCo_4806996,ZINC22_29893573	299.371	ALNKGBGNFCZOFP-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035413
Cc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cn1	CoCoCo_4806997,ZINC22_29893577	299.371	ALNKGBGNFCZOFP-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035414
CC1CCn2c(C1)nc(c2)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318210241	299.371	UPCJCZRNOPOZNS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035415
Cc1cc(nc(c1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845873	299.371	FHCHPOCNVPROCQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035416
Cc1ccnc(c1)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319511611	299.371	QKLGAETVSXYZCX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035417
Cc1ccnc(c1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_319589536	299.371	PRRXPUBGXSZNTJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035418
CC1(C)CNC(=O)c2nc(CCNc3cccnc3)[nH]c2C1	ZINC22_65405856,PC-id_50964535,EMOLS-id_32399212,MCULE-1839304155	299.371	MNDSFOSAMZRAGH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035419
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCc2n(C1)cnc2	EMOLS-id_318918673	299.371	UTHRRUAYVKQXPP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035420
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cn1)N(C)C	EMOLS-id_319267133	299.371	ITIGKDLRNLYVGN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035421
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1)N(C)C	EMOLS-id_319370098	299.371	SNLZIRRNOCVPFA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035422
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccnc1N(C)C	EMOLS-id_319593650	299.371	FVWXRUFFRPWWDQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035423
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCn2c(C1)ncc2	EMOLS-id_318931775	299.371	SIWYRMNVXQXVJM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035424
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc(c1)N(C)C	EMOLS-id_318849130	299.371	MTXARHZJQAPLBM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035425
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(nn1C)C1CC1	MCULE-4794977623,EMOLS-id_319940340	299.371	ADVRNUJLTYREGH-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035426
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc2n1CCCC2	EMOLS-id_318943086	299.371	WGEIITYRNUEDOX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035427
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncnc1C(C)C	EMOLS-id_319729997	299.371	AHKAAXBTCFUYDB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035428
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1C1CC1)C	EMOLS-id_318795389	299.371	YZDIIMRGYFJKJB-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035429
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(nc1C1CC1)C	EMOLS-id_318918539	299.371	OPTDLUPQQOYFLI-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035430
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1)C1CCC1	EMOLS-id_318997812	299.371	SAXZVCATUPYPPQ-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-035431
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1)CC1CC1	EMOLS-id_319152883	299.371	WGBJFUIHAYEXFO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035432
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nc2n(c1)CCCC2	EMOLS-id_319586045	299.371	CXVRCKMRMQEVDD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035433
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncc2n1CCCC2	EMOLS-id_319600303	299.371	FWZLLDWQRBINTH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035434
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncccc1N(C)C	EMOLS-id_319072764	299.371	PZOSIXFIAVHWPL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035435
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nc(C)c(nc1C)C	EMOLS-id_318827996	299.371	JRGMXWYAJCMGBD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035436
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1n(C)ncc1C1CC1	EMOLS-id_319761174	299.371	FXSMWHDKLPQEBH-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035437
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]nc2c1CCCC2	EMOLS-id_319295349	299.371	ICQUARIBQHKBHY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035438
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccnc(n1)C	EMOLS-id_318901826	299.371	ZDTJCBOYFHNREY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035439
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1C[C@H]1c1cnn(c1)C	EMOLS-id_319621294	299.371	DYEWOJVHDRLCLI-INPHSSGZSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035440
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ncc(c1)C1CC1	EMOLS-id_319184878	299.371	VHBVYDUYMFFGFA-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035441
CC1CN(Cc2cc(O)nc(n2)C2CC2)Cc2c(C1)[nH]nc2	EMOLS-id_319236647	299.371	TUPYANNTHVCNCR-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-035442
Cc1cncc(c1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101727603	299.371	XQOHSFXICSTUMP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035443
Cc1ncc(c(c1)C)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319166117	299.371	ZGDHLJJLRQWLEU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035444
CCc1cccc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320001719,MCULE-7006966296	299.371	RWDGGFMSQPQECM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035445
CCc1ccccc1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320116037,MCULE-2655690442	299.371	NDVLINYIGQHNSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035446
CC(c1ccc(cn1)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319571229	299.371	PMMMRLSAVVUPAN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035447
CCc1ccncc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318932787	299.371	VAGNKXJXZCSHRF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035448
CCc1cc(nc(n1)C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318552826	299.371	QQDBUVAWHXZQJV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035449
O(C(=O)c1c2-c(c(CCCCCCCC)c1)cccc(c2)C(C)C)C	PC-id_86145793	340.499	VUKYQAYNRIGYEN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068785
CCc1cnccc1CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319456536	299.371	KSFLKNKEOPNSQI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035450
CC(c1ncc(cn1)NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318664986	299.371	ASPGAAMMMSAONN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035451
CC(c1ncncc1C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101846431	299.371	MEXFDUMXLXCPIN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035452
CCc1nnc(cc1C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101676488	299.371	CGLCHJPNMGMYGE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035453
CCC(c1ccncc1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-8549338644,EMOLS-id_320262346	299.371	NCLBBVFSAIBSES-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035454
CC[C@H](c1ccccn1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316565628	299.371	PWWDLHWPJRQSIK-ZGTCLIOFSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035455
C=CCOCc1nnn2c1CN(Cc1ccccn1)CCC2	EMOLS-id_44369428,ZINC22_96256054,PC-id_97517010	299.371	ZRCUFFASCYCHMC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035456
C[C@@H](c1nccnc1C)NC(=O)c1cnc2n1CCCCC2	MCULE-9603995139,EMOLS-id_320217219	299.371	DTQDHQNNPLJXPU-LBPRGKRZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035457
CCn1nc(c(c1)C(=O)N1CCCc2c(C1)c[nH]n2)C1CC1	EMOLS-id_316651354	299.371	PGBDJTVYUZYEDV-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035458
CCNc1cccnc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319655172	299.371	UYTOTPPTCSSJSA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035459
CCNc1cccnc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318778529	299.371	CDCDOUITBNTELL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035460
CC(=O)Nc1ccc(NCc2nc3n(n2)CCCCC3)cc1	CoCoCo_6602097,PC-id_35754642,ZINC22_28527886	299.371	JOUMBPSPMHOVMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035461
CC(=O)Nc1ccc(NCc2nnc3CCCCCn23)cc1	MCULE-4691349728,PC-id_7177818,ZINC22_4303644,CHEMBL1554036,EMOLS-id_42849708,CoCoCo_6271370	299.371	BPIUGTRBBPJVQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035462
Cn1cc(c(n1)C1CC1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_102244893	299.371	KZSHPILJXSQMOE-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035463
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CCCS(=O)(=O)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319609694	299.389	XJYGRWIINPJETB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035557
CCC(S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2)C	EMOLS-id_112056980	299.389	ASYMIWSVXKXOLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035558
CC(CS(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2)C	EMOLS-id_112057001	299.389	ARDCUJNXPWJFIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035559
CCOCC1CN(Cc2ccnn2C1)S(=O)(=O)C1CC1	EMOLS-id_44326883	299.389	SCNNZOKVCIDPOU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035560
CCOCc1ncn2c1CN(S(=O)(=O)C1CC1)CCC2	EMOLS-id_44371368,PC-id_97519996,ZINC22_96259916	299.389	ZRHVYFDUQDPJIK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035561
CCOC[C@@H]1CN(S(=O)(=O)C2CC2)Cc2ccnn2C1	PC-id_97463374,ZINC22_96188955	299.389	SCNNZOKVCIDPOU-LLVKDONJSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035562
CCOC[C@H]1CN(S(=O)(=O)C2CC2)Cc2ccnn2C1	ZINC22_96188954,PC-id_97463373	299.389	SCNNZOKVCIDPOU-NSHDSACASA-N	00100000100000000101000000000010000000000000000000000000	31-01-035563
COCC1(CC1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318866281	299.389	BMVXJTFIALNDBJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035564
CS(=O)(=O)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_247553242	299.389	WNUCTLVGQFCFPO-GFCCVEGCSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035565
CS(=O)(=O)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	ZINC22_247553246	299.389	WNUCTLVGQFCFPO-LBPRGKRZSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035566
CS(=O)(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1	PC-id_97475353,ZINC22_96207226	299.389	WQYXEEMGDXNASS-LBPRGKRZSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035567
CS(=O)(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1	PC-id_97475354,ZINC22_96207227	299.389	WQYXEEMGDXNASS-GFCCVEGCSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035568
CS(=O)(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1	ZINC22_96187930,PC-id_97462378	299.389	ZJVQJTNDLVEHGY-LBPRGKRZSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035569
CS(=O)(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1	ZINC22_96187931,PC-id_97462379	299.389	ZJVQJTNDLVEHGY-GFCCVEGCSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035570
CS(=O)(=O)N1CCCn2cnc(COCC3CC3)c2C1	ZINC22_96259969,EMOLS-id_44371472,PC-id_97520049	299.389	SKFRLCOWUIZXKM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035571
CS(=O)(=O)N1CC(COCC2CC2)Cn2ccnc2C1	EMOLS-id_44325963	299.389	ZJVQJTNDLVEHGY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035572
CS(=O)(=O)N1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49229815	299.389	WQYXEEMGDXNASS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035573
CS(=O)(=O)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_50012382	299.389	WNUCTLVGQFCFPO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035574
O=S(=O)(C1CCCOC1)Cc1nnc2n1CCCCC2	EMOLS-id_100820288	299.389	YZZNRESTZHEIOB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-035575
O=S(=O)(c1nnc2n1CCCCC2)CC1CCCCO1	EMOLS-id_111613538	299.389	ATYLEKIHFRSGRS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-035576
O=S(=O)(c1nnc2n1CCCCC2)CC1CCOCC1	EMOLS-id_110823043	299.389	UQENFUJUJIWSII-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-035577
O=S(=O)(c1nnc2n1CCCCC2)CCC1CCCO1	EMOLS-id_99943368	299.389	UJSXQTPGVMTVQU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-035578
S(c1n2CCCCCc2nn1)CCC(OCC)C(=O)O	PC-id_63098762	299.389	FEMQZDRZJMMBIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035579
S(c1n2CCCCCc2nn1)CC(O)CC(=O)OCC	PC-id_82775453	299.389	GZINBJLEYWRZPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035580
O=C(c1ccncc1)NN=Cc1cc2c(s1)CCCCC2	PC-id_5391428,MCULE-1538263011	299.391	LLXVKGPZQNYFFF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035581
O=C(c1ccncc1)N/N=Cc1cc2c(s1)CCCCC2	SCHEMBL12443306	299.391	LLXVKGPZQNYFFF-WQRHYEAKSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035582
s1c2CCCCCc2cc1/C=N/NC(=O)c1ccncc1	PC-id_7823065	299.391	LLXVKGPZQNYFFF-WOJGMQOQSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035583
s1c2CCCCCc2cc1C(=O)NN=Cc1cccnc1	PC-id_78620807	299.391	HPXIQPHOHCUSEY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035584
s1c2CCCCCc2cc1C(=O)NN=Cc1ccncc1	PC-id_78620848	299.391	XIHMGBXJTBCMDX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035585
s1c2CCCCCc2c(c1N=Cc1cccnc1)C(=O)N	PC-id_23965244	299.391	RXFMMFROTYCOJC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035586
CC1CCCCN1S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316708607	299.392	GGIZMVPDUQIWMF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-035587
CC(N(S(=O)(=O)N1CCCn2c(C1)cnn2)C)C1CC1	EMOLS-id_320115368,MCULE-1906631750	299.392	TUUCBIVSOBDQEG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035588
O=S(=O)(CC1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102028463	299.392	HCFRJUNLGXCGHF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-035589
O=S(=O)(N1CCCn2c(C1)cnn2)N1CCCCCC1	EMOLS-id_316708863	299.392	HFQLNHKGXSNDNA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035590
O=S(=O)(NC1CCn2c(CC1)nnn2)CCC1CCC1	EMOLS-id_102028619	299.392	LUBLDFNUKJPAPC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-035591
C1CCc2c(CC1)cc(s2)CNc1ncnc2c1nc[nH]2	GD-id_ZINC50932761	299.394	KBQMSINJUTZWPB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035592
c1ccc2[nH]c(CCc3nnc4n3CCSCC4)nc2c1	MCULE-5081018997,EMOLS-id_323933824,ZINC22_1800412151,PC-id_139599545	299.394	VDJJUWYLNNUUKZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035593
c1cc(CN2CCCn3cncc3C2)n(c2nccs2)c1	PC-id_56901854,MCULE-3784409912,EMOLS-id_43135468,ZINC22_72145919	299.394	FCLPNFVYAJLUEX-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-035594
c1ccn2cc(CSc3nnc4n3CCCCC4)nc2c1	EMOLS-id_42927477,PC-id_7876861,CoCoCo_3081617,ZINC22_6097400,MCULE-2476559941	299.394	COJHPEGHICNLEU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035595
CC1CN(Cc2nc3c(s2)nccc3)Cc2c(C1)[nH]nc2	EMOLS-id_320132335,MCULE-6094714654	299.394	KDLPJSXNAVQJLC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035596
Cc1nnc2n1CCN(CC2)Cc1nc2c(s1)cccc2	CoCoCo_1244274,CoCoCo_1244273	299.394	HMJJLFPKZWSVKV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035597
NCc1ccc(c(c1)C#N)Sc1nnc2n1CCCCC2	PC-id_108291341	299.394	XRDAXDLAKNYUSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035598
N#CCc1cc(ccc1N)Sc1nnc2n1CCCCC2	PC-id_102625019	299.394	DUBUVEWPNWENEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035599
S(c1n2CCCCCc2nn1)c1c(c(nc(c1)C)C)C#N	PC-id_81037153	299.394	NKQPRCCZRPBFMW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035600
S(c1n2CCCCCc2nn1)c1nc(cc(c1C#N)C)C	PC-id_60703064	299.394	GWBCSNCQGZAKCK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035601
CC(C1CCCCc2c(C1(F)F)nnn2C(C)(C)C)(C)C	SCHEMBL17480772,PC-id_118696752	299.402	WIVVFANLTXERKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035602
CCN(CC)CCCOc1ccccc2-c1c(cc2C=O)C	PC-id_87504669,SCHEMBL3283885	299.407	XEMHQNBHGGSBIA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035603
NCCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)OC	PC-id_10380015,SCHEMBL9628382	299.407	WXGHNJOPUQHOEA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035604
O(C(=O)c1c2-c(c(CCCCCCCN)c1)ccccc2)C	PC-id_9994928	299.407	OTCARNJZQNLJIF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035605
O(C(=O)c1c2-c(c(CCCCN)c1)cccc(C(C)C)c2)C	PC-id_9971969	299.407	JKFJAVKQDPDIST-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035606
N#Cc1ccc(cc1)Cc1ccc(cc2-c1ccc2C)C(C)C	PC-id_102111800	299.409	JPSHNJJOEAJBBJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-035607
N#Cc1cccc(c1)Cc1ccc(cc2-c1ccc2C)C(C)C	PC-id_102111801	299.409	PGPYYNNEGCOAMR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-035608
Cc1ccc(c(c1)C)C(CN1CCCc2c(C1)cnn2C)O	EMOLS-id_318436564	299.411	FERMZMJVGSMBAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035609
CC1CCCC(C1)NC(=O)Cc1cn2c(n1)CC=CC(=C2)C	PC-id_143700078	299.411	LAPZXGJOHICIJF-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-035610
CC1CN(CC(c2cc(C)cc(c2)C)O)Cc2c(C1)[nH]nc2	EMOLS-id_319092604	299.411	NQWJONXGGVXZAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035611
CC(C1=Nc2c(CC#CC1)[nH]cc2CCCOC)NC1CC1	PC-id_134220054,SCHEMBL19826544	299.411	YYIAKUJFXMXXBJ-UHFFFAOYSA-N	00100000100000000110000000000010000000000000000000000000	31-01-035612
CC(C)(C)c1ccc(OCc2nnc3CCCCCn23)cc1	EMOLS-id_2701538,ZINC22_3299645,CoCoCo_2580272,PC-id_2415227,MCULE-1128769718	299.411	FQXJSZSGMCWGJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035613
CC(C)[C@@H]1CC[C@@H](C)Cc2nnc(Cc3ccc(O)cc3)n12	ZINC22_2100555343,MCULE-1949141031,EMOLS-id_337655522	299.411	RRGDNORWRUQZRS-CJNGLKHVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035614
C=CC[C@H](NC(=O)C)CCCCC1=NC=CCc2c1cc[nH]2	PC-id_144149447	299.411	UKAUEIDTWIXDFZ-HNNXBMFYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-035615
CC(COc1ccccc1)NCc1n[nH]c2CCCCCc12	PC-id_50957725,MCULE-4459517250,EMOLS-id_32386346	299.411	OZGJMHTYFHKSKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035616
C[C@H](COc1ccccc1)NCc1n[nH]c2c1CCCCC2	PC-id_95203038,ZINC22_67695670	299.411	OZGJMHTYFHKSKE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035617
C[C@@H](COc1ccccc1)NCc1n[nH]c2c1CCCCC2	ZINC22_67695667,PC-id_95203037	299.411	OZGJMHTYFHKSKE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035618
CCOCC1CN(CCc2ccccc2)Cc2nccn2C1	EMOLS-id_46160435	299.411	BRKXUNBRKFTLSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035619
CCOC[C@H]1CN(CCc2ccccc2)Cc2nccn2C1	ZINC22_96066816,PC-id_97389155	299.411	BRKXUNBRKFTLSX-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035620
CCOC[C@@H]1CN(CCc2ccccc2)Cc2nccn2C1	ZINC22_96066817,PC-id_97389156	299.411	BRKXUNBRKFTLSX-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035621
COc1cccc(c1)CCCN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319131744	299.411	UTCXKLVVSZLRMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035622
COCc1ccc(cc1)CC1CCCCCc2c1nnn2C	SCHEMBL21350410,PC-id_139483336	299.411	AUPMXDKPRMZCLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035623
COC(Cc1ccccc1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319946458,MCULE-2611331043	299.411	IQNHBGWTUOGXLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035624
COCCC(N1CC(C)Cc2c(C1)cn[nH]2)c1ccccc1	EMOLS-id_319829174,MCULE-5680519937	299.411	VGOOXMGFMYSJIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035625
O=c1n2CCCCCc2nn1Cc1ccc(C(C)(C)C)cc1	PC-id_16363880	299.411	ZRRBSMHZVISKFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035626
c1(CN(C)Cc2ccnc(CC)n2)c2CCCCCc2[nH]n1	EMOLS-id_49872780,ZINC22_215249341,PC-id_77082196,MCULE-4319666953	299.414	FFOCASHNRBCATK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035627
Cc1cccc(CN2CCc3ncc(CN(C)C)n3CC2)n1	EMOLS-id_44328505,PC-id_97466932,ZINC22_96196787	299.414	VJSGTKDNVXGSLH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035628
Cc1ccc(c(n1)C)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318061783,MCULE-3225862154	299.414	UXVIGHFQDUPUJM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035629
Cc1ccc(cn1)C(NCc1nnc2n1CCCCC2)(C)C	EMOLS-id_318223434,MCULE-1062936303	299.414	MPJBWIIESKYLNW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035630
Cc1cc(NCc2cnc3n2CCCCC3)nc(n1)C(C)C	EMOLS-id_318487484,MCULE-6214312158	299.414	HRNFUXKUXIWYJI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035631
CC1CN(Cc2ccn(n2)C2CCCC2)Cc2c(C1)[nH]nc2	EMOLS-id_320144215,MCULE-3209343327	299.414	KAWICTKCKJKGRS-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-035632
CC(c1ccc(nn1)NCc1cnc2n1CCCCC2)(C)C	MCULE-2652247969,EMOLS-id_318737445	299.414	HMSVDQRGONNAET-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035633
CC(c1ncc(cn1)NCc1cnc2n1CCCCC2)(C)C	EMOLS-id_318398458,MCULE-5155213987	299.414	JMJOAOIBMQLNPO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035634
CC[C@@H](c1ccccn1)N(C)Cc1cc2n(n1)CCCNC2	PC-id_99931284,ZINC22_215428483	299.414	HPXAORBXGVWLCV-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035635
CC[C@H](c1ccccn1)N(C)Cc1cc2n(n1)CCCNC2	ZINC22_215428526,PC-id_99931285	299.414	HPXAORBXGVWLCV-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035636
CCC(N(C)Cc1cc2CNCCCn2n1)c1ccccn1	PC-id_77084497,MCULE-9476899750,EMOLS-id_49876834	299.414	HPXAORBXGVWLCV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035637
Cn1ncc2c1CC(C)(C)CN(C2)Cc1ncn(c1)C1CC1	MCULE-7764056497,EMOLS-id_320155420	299.414	SPTCXLPNPGFYQU-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035638
OC1CCCCc2c1cn(c2)CCS(=O)(=O)C(C)(C)C	PC-id_106717221	299.429	BKRGUTBMWKEAFS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035639
c12c(=[NH+]C3CCCCC3)cccc(OCC)c1c([nH]c2C)C	MCULE-4521175556	299.43	ISXHWTQLCXWFLO-UHFFFAOYSA-O	00000000100010000110000000000010000000000000000000000000	31-01-035640
c1(C(=O)NCc2ccc(cc2)C)csc2CCCCCc12	EMOLS-id_11330402,PC-id_9550736,ChEMBL-DNDi_CHEMBL1495049,CHEMBL1495049,MCULE-8668484336,ZINC22_5070328,CoCoCo_2171526	299.43	JRAGHCOZLWFARI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035641
c1(C(=O)NCCc2ccccc2)csc2CCCCCc12	EMOLS-id_11069195,CK3033533,CoCoCo_2171542,PC-id_6623110,MCULE-4291134355	299.43	NBCMANJGBCLMNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035642
c1(csc2CCCCCc12)C(=O)Nc1ccc(cc1)CC	ChEMBL-DNDi_CHEMBLC760-0924,PC-id_20881838,CoCoCo_2171523,MCULE-3130229202,EMOLS-id_16062771	299.43	XLXDVEPJECOFJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035643
c1(csc2CCCCCc12)C(=O)Nc1cc(C)ccc1C	EMOLS-id_16062787,CoCoCo_2171532,MCULE-5560825846,PC-id_20881845	299.43	VAEAHLMYHVWPSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035644
c1(csc2CCCCCc12)C(=O)Nc1ccc(c(C)c1)C	MCULE-8730816122,CoCoCo_2171541,EMOLS-id_16062799,PC-id_20881850	299.43	RZTUINUFBXKLJX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035645
c1(csc2CCCCCc12)C(=O)Nc1cc(C)cc(C)c1	CoCoCo_2171544,PC-id_20881852,EMOLS-id_16062805,MCULE-9606106506	299.43	AKZQXNZULMNGSG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035646
c1(csc2CCCCCc12)C(=O)NC(C)c1ccccc1	MCULE-3481033176,EMOLS-id_16062793,PC-id_20881847	299.43	JZAFHSLOOVGUNO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035647
Cc1ccc(c(c1)C)NC(=O)c1csc2c1CCCCC2	CoCoCo_2171534,CHEMBL590682,ChEMBL-DNDi_CHEMBL590682,PC-id_20881846,ChEMBL-DNDi_CHEMBLC760-0941	299.43	CBQQMMBQKUSFFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035648
Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)c(C)c1	PC-id_9039535,CoCoCo_3245541,MCULE-8099592737,ZINC22_7914993,EMOLS-id_43820315	299.43	FGKJZTNEMAENAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035649
CCc1ccc(nc1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_115786240	299.43	KMXYVPKPSXIPRQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035650
C[C@@H](c1ccccc1)NC(=O)c1csc2c1CCCCC2	PC-id_92251978,CoCoCo_2171537	299.43	JZAFHSLOOVGUNO-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035651
C[C@H](c1ccccc1)NC(=O)c1csc2c1CCCCC2	PC-id_92251979,CoCoCo_2171536	299.43	JZAFHSLOOVGUNO-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035652
CCOc1ccc/c(=[NH+]C2CCCCC2)/c2c([nH]c(c12)C)C	PC-id_137323594	299.43	ISXHWTQLCXWFLO-LTGZKZEYSA-O	00000000100010000110000000000010000000000000000000000000	31-01-035653
CN(C(=O)c1cc2c(s1)CCCCC2)Cc1ccccc1	PC-id_112760182	299.43	CXKXAUOQDDBSML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035654
CN(C(=O)c1cc2c(s1)CCCCCC2)c1ccccc1	CoCoCo_3827280,PC-id_17535238,ZINC22_12753590,MCULE-3642843656,EMOLS-id_16781497	299.43	ZQCRCGNYLFFRPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035655
NC(c1cccc2c1OCC2)c1cc2c(s1)CCCCC2	PC-id_105053524	299.43	VWMXTAZHQYYXNY-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-035656
O(c1c2-c(c(NC3CCCCC3)ccc1)c([nH+]c2C)C)CC	PC-id_921720	299.43	PGLCDHHZXDDTEU-UHFFFAOYSA-O	00000010100010000110000000000010000000000000000000000000	31-01-035657
OC(C1CCc2c1nccc2)c1cc2c(s1)CCCCC2	PC-id_115819497	299.43	PLBHURLSMFIWBT-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-035658
O=C(c1sc2c(c1)CCCCCC2)NCc1ccccc1	EMOLS-id_316001235	299.43	KJLRFUUXXTTWCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035659
O=C(NCCc1ccccc1)c1cc2c(s1)CCCCC2	EMOLS-id_3649300,ZINC22_7609104,PC-id_8713444,MCULE-6143992761,CoCoCo_3241497	299.43	HURXKZAWVOWSTC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035660
s1c2c(CCCCC2)cc1C(N)c1cc2CCOc2cc1	PC-id_43464391	299.43	LYWUVRADIGFHPR-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-035661
s1c2c(CCCCC2)cc1C(N)c1cc2c(COC2)cc1	PC-id_63021265	299.43	APMUZPZANDFJCN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-035662
s1c2CCCCCc2cc1C(=O)Nc1c(cccc1C)C	PC-id_24393694	299.43	WHXRCBXZEVAKOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035663
s1c2CCCCCc2cc1C(=O)N(c1ccc(cc1)C)C	PC-id_56367515	299.43	SVFGPGSRZNBRQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035664
s1c2CCCCCc2cc1C(=O)Nc1c(c(ccc1)C)C	PC-id_7947108	299.43	VQKGIWFPAYNTFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035665
s1c2CCCCCc2cc1C(=O)Nc1cc(cc(c1)C)C	PC-id_7961128	299.43	KUBZWYRNAULPKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035666
s1c2CCCCCc2cc1C(=O)Nc1c(ccc(c1)C)C	PC-id_9034194	299.43	WQFYNJRCPHCCOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035667
OC(=O)CCCCCCCCCCc1c2-c(c(cc(c1)C)C)ccc2	PC-id_85603911	340.499	YWUUWRJPXORXAH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068786
s1c2CCCCCc2cc1C(=O)Nc1ccc(CC)cc1	PC-id_18205188	299.43	RPOUGOPFVCBWLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035668
s1c2CCCCCc2cc1C(=O)Nc1c(CC)cccc1	PC-id_7923845	299.43	DQKGLFRYTPPQEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035669
s1c2CCCCCc2cc1C(=O)NC(c1ccccc1)C	PC-id_18206771	299.43	RPANRPKMNBCGCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035670
s1c2CCCCCc2cc1C(=O)N[C@H](c1ccccc1)C	PC-id_7536012	299.43	RPANRPKMNBCGCA-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035671
s1c2CCCCCc2cc1C(=O)N[C@@H](c1ccccc1)C	PC-id_7536013	299.43	RPANRPKMNBCGCA-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035672
s1c2c(CCCCCC2)c(c1N)C(=O)c1ccc(cc1)C	PC-id_54580561	299.43	ZQKOXWOWDASRKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035673
S1CC(Cn2cc3c(CCCCC3O)c2)c2c1cccc2	PC-id_83211131	299.43	PXTXVBZUWUUFRR-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-035674
S1C(Cn2cc3c(CCCCC3O)c2)Cc2c1cccc2	PC-id_83211753	299.43	AEXHWWKCDKNIMW-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-035675
CC(c1n[nH]c2c1CN(CCC2)S(=O)(=O)C(C)(C)C)C	SCHEMBL17465953,PC-id_118684208	299.432	VMJQFNACNVCBOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035676
CCCCOCC(CSc1nnc2n1CCCCC2)O	PC-id_107264065	299.432	NRHCSPFUHBDULB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035677
CCCNC1CCCCc2c1cnn2CCS(=O)(=O)C	PC-id_107384502	299.432	CVDMTLCRZPZGFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035678
CC(C)SCCN1CCCn2nc(cc2C1)C(O)CO	PC-id_91782882,EMOLS-id_55668183,MCULE-9663803980	299.432	VSLHWLIWOTZRCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035679
CC(C)SCCN1CCCn2nc([C@@H](O)CO)cc2C1	PC-id_100092488,ZINC22_222381219	299.432	VSLHWLIWOTZRCJ-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035680
CC(C)SCCN1CCCn2nc([C@H](O)CO)cc2C1	ZINC22_230563231	299.432	VSLHWLIWOTZRCJ-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035681
CC(CS(=O)(=O)N1CCCc2c(C1)c(n[nH]2)C(C)C)C	PC-id_118684207,SCHEMBL17465952	299.432	JVMRAODLHNGSRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035682
CCNC1CCCCc2c1cnn2CCS(=O)(=O)CC	PC-id_107384508	299.432	BJYCYUOPCSHIKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035683
Cn1ncc2c1CCCN(C2)S(=O)(=O)CCC(C)(C)C	EMOLS-id_101948514	299.432	JDIPFEIGMZYGIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035684
S(c1n2CCCCCc2nn1)CCC(OCC)OCC	PC-id_63627942	299.432	BAAVBYZQMJTWAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035685
c12-c(cc(ccc1C)C(C)C)c(cc2C=NNC(=S)N)C	PC-id_2741004,MCULE-4847200740	299.434	SKIKHOUWJGRMDD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035686
Cc1ccc(cc1)/C=C/CN1CCc2c(CC1)nc(s2)N	PC-id_19985716,SCHEMBL7292659	299.434	TWFGHKZTPZXVDJ-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035687
C/C(=Cc1ccccc1)/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7293943	299.434	HNKZGEVLAKNGTF-ACCUITESSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035688
CC(=Cc1ccccc1)CN1CCc2c(CC1)sc(n2)N	PC-id_88124470	299.434	HNKZGEVLAKNGTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035689
CC(C)c1ccc(C)c2-c(c(cc2/C=NNC(=S)N)C)c1	EMOLS-id_5792096	299.434	SKIKHOUWJGRMDD-OCKHKDLRSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035690
CN(c1ccc(cc1)/C=C/c1sc2c(n1)CCCCN2)C	SCHEMBL8316359,PC-id_15069561	299.434	WWDZYLRNEPSXOS-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035691
Nc1nc2c(s1)CCN(CC2)CC1CC1c1ccccc1	SCHEMBL7292211,PC-id_19985738	299.434	VACQINGJKBCGTR-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-035692
Nc1nc2c(s1)CCN(CC2)C/C=C(c1ccccc1)/C	PC-id_19985907,SCHEMBL7295595	299.434	CVLHIMGUWYXVHH-QPEQYQDCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035693
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1C	PC-id_19985972,SCHEMBL7282790	299.434	YCFROYZJBZQTOO-QPJJXVBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035694
Nc1nc2c(s1)CCN(CC2)CC=C(c1ccccc1)C	PC-id_73668873,SCHEMBL7295599	299.434	CVLHIMGUWYXVHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035695
Nc1nc2c(s1)CCN(CC2)CC/C=C/c1ccccc1	SCHEMBL7285298,PC-id_19985915	299.434	GKQAUMQZKHABAU-XBXARRHUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035696
s1c2CCN(CCc2nc1N)CC=Cc1ccc(cc1)C	PC-id_54337058	299.434	TWFGHKZTPZXVDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035697
s1c2CCN(CCc2nc1N)CC=Cc1c(cccc1)C	PC-id_54500731	299.434	YCFROYZJBZQTOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035698
s1c2CCN(CCc2nc1N)CCC=Cc1ccccc1	PC-id_73668874	299.434	GKQAUMQZKHABAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035699
s1c2NCCCCc2nc1C=Cc1ccc(N(C)C)cc1	PC-id_54452885	299.434	WWDZYLRNEPSXOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035700
S=C(N/N=C/c1c2-c(c(c1)C)cc(C(C)C)ccc2C)N	PC-id_5703501	299.434	SKIKHOUWJGRMDD-DJKKODMXSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035701
CCOC(=O)N1CCc2c(C(C1)C)cc(s2)SCC	SCHEMBL12636619,PC-id_58256125	299.452	OKMQUHNBMQMURA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035702
CCC/C=CC(=C/C=C)c1n(nc2c1CCNCC2)C(C)C	PC-id_143040827	299.454	SHXSPEUDKXFNCT-PWDATKAESA-N	00000000100000000101000000000010000000000000000000000000	31-01-035703
CCNC(c1cccc(c1)C)c1cc2c(s1)CCCCC2	PC-id_115789708	299.473	CMUBUPABDFFEPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035704
CCNC(c1ccccc1C)c1cc2c(s1)CCCCC2	PC-id_115794527	299.473	PJDBOIDMQAMOLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035705
CNC(c1cc2c(s1)CCCCC2)CCc1ccccc1	PC-id_115794217	299.473	NFNITYMJINLQSG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035706
s1c2c(CCCCC2)cc1C(N)c1c(cc(cc1C)C)C	PC-id_43464198	299.473	YKBLYQKAIVLPJD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035707
s1c2c(CCCCC2)cc1C(N)c1ccc(C(C)C)cc1	PC-id_43625275	299.473	BIJKBBCVKBBZBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035708
s1c2c(CCCCC2)cc1C(NC)c1cc(c(cc1)C)C	PC-id_43480135	299.473	VTNKVHWZTIITMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035709
s1c2c(CCCCC2)cc1C(NC)c1c(cc(cc1)C)C	PC-id_43482612	299.473	UXKUXGYNCDOFOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035710
s1c2c(CCCCC2)cc1C(NC)c1c(ccc(c1)C)C	PC-id_43483743	299.473	PMSYHGYLAPECBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035711
s1c2c(CCCCC2)cc1C(NC)c1ccc(cc1)CC	PC-id_43484641	299.473	MAGNCQUMFFYYCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035712
s1c2c(CCCCC2)cc1C(N)Cc1cc(c(cc1)C)C	PC-id_63527267	299.473	WLXPAUIRAYFCMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035713
s1c2c(CCCCC2)cc1C(N)Cc1c(ccc(c1)C)C	PC-id_63527279	299.473	UNIZJZLBPYAACJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035714
s1c2c(CCCCC2)cc1C(NCC)c1ccc(cc1)C	PC-id_43489272	299.473	IEAOQAWUKOXFSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035715
s1c2c(CCCCC2)cc1C(NC)Cc1ccc(cc1)C	PC-id_63527069	299.473	CYCIWBPQSYEFDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035716
s1c2c(CCCCC2)cc1C(NC)Cc1c(cccc1)C	PC-id_63528104	299.473	RPKYPKQUVGCMRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035717
s1c2c(CCCCC2)cc1C(NC)Cc1cc(ccc1)C	PC-id_63528125	299.473	ASXPIKJHKHDOFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035718
Cc1cc(C)c(cc1C(c1cc2c(s1)CCCCC2)N)C	PC-id_104990696	299.474	YOPWZDFRWHAJQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035719
Cc1cc(C)cc(c1)CC(c1cc2c(s1)CCCCC2)N	PC-id_115800786	299.474	CLCKFFXZRMPJLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035720
CCc1cccc(c1)C(c1cc2c(s1)CCCCC2)NC	PC-id_105018768	299.474	HBNPGBYUQYQZBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035721
CCc1ccc(cc1)CC(c1cc2c(s1)CCCCC2)N	PC-id_115803853	299.474	GDFPYGLXQWNDSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035722
CCCc1cccc(c1)C(c1cc2c(s1)CCCCC2)N	PC-id_105050555	299.474	IOYRNIIQYPOMIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035723
CCN(CCc1ccccc1)C1CCc2ccsc2CC1	CHEMBL4644644	299.474	SEAFGKDECAPHQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035724
CNC(c1cccc(c1C)C)c1cc2c(s1)CCCCC2	PC-id_115850469	299.474	CGHPODHXMVYNGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035725
CNC(c1cc(C)cc(c1)C)c1cc2c(s1)CCCCC2	PC-id_115797126	299.474	DRWTVZSPDGRMEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035726
NC(c1cc2c(s1)CCCCC2)Cc1c(C)cccc1C	PC-id_105024741	299.474	MTEKQPREXMZIPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035727
NC(c1cc2c(s1)CCCCC2)CCCc1ccccc1	PC-id_115849650	299.474	AMEVYMZHGDKPDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035728
s1c2c(CCCCC2)cc1C(N)c1ccc(CCC)cc1	PC-id_43464294	299.474	AJWSOWQUZWXYML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035729
s1c2c(CCCCC2)cc1C(NCCC)c1ccccc1	PC-id_43494850	299.474	BBFNORFDQGBESL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035730
s1c2c(CCCCC2)cc1C(NCC)Cc1ccccc1	PC-id_63526378	299.474	SMLQWIAWVZPLSX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035731
S(CC(C(C)(C)C)CS)c1n2CCCCCc2nn1	PC-id_80039792	299.498	RPUQSRJNMWESPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035732
S(CC(CC)(CC)CS)c1n2CCCCCc2nn1	PC-id_80040840	299.498	DJCJFVIHTPMYLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035733
Clc1ccc(NCn2nc(c3c2c(=O)cccc3)C)cc1	PC-id_10086135	299.755	FKSASSWQXGKEBQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-035734
Clc1c(NCn2nc(c3c2c(=O)cccc3)C)cccc1	PC-id_10447487	299.755	IOHNUEDUIZEZBW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-035735
Clc1nc(Sc2n3CCCCCc3nn2)c(F)cn1	PC-id_79076626	299.755	LZUOSOKKGIOXRY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035736
BrC(Br)C(=O)c1c2-c(c(c1)C)ccccc2	PC-id_11013279	342.026	MCOWXVKOIMPXHU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-069755
CC1CN(CC#Cc2cccc(c2)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319487103	299.798	GVENOSIJYNWYOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035737
CC1CN(CC#Cc2ccc(cc2)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319672218	299.798	UMPUXKKLPHBFHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035738
N#Cc1ccc(c(c1)Cl)Cn1cc2c(c1)CCCCC2N	PC-id_102669447	299.798	TZSDYTXZSALCQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035739
ClCCCCN1c2c(sc(c2)C(=O)C)CCCC1=O	SCHEMBL9038762,PC-id_19881047	299.816	XTJGHZJFVBVFKF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035740
ClCCCCN1CCCc2c(C1=O)cc(s2)C(=O)C	PC-id_139603494	299.816	UUCUDCUFCQGYDC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035741
ClCCCC(=O)c1cc2c(s1)CN(CCC2)C(=O)C	SCHEMBL8917714,PC-id_21471818	299.816	NMHCZKCPVCQSIJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035742
CC(CCCNC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_114147413	299.859	OANSTSGYGIKHSH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035743
CCCC(CNC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_116270521	299.859	OOJXGBVJACIDRE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035744
CCC(CCNC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_116283264	299.859	PKUKQNVRGCZSPF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035745
CC(CC(NC(=O)c1cc2c(s1)CCCCC2)C)Cl	PC-id_113376727	299.859	ZXJLZMIACNSCJB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035746
CC(CCN(C(=O)c1cc2c(s1)CCCCC2)C)Cl	PC-id_113500045	299.859	AZPSMALDQCCGIC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035747
CC(C(CNC(=O)c1cc2c(s1)CCCCC2)Cl)C	PC-id_113492966	299.859	NRPDTZNBNIWFMB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035748
CCC(NC(=O)c1cc2c(s1)CCCCC2)(CCl)C	PC-id_114303667	299.859	YBATYSMQMQXINL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035749
ClCC(C(C)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_113273506	299.859	SCEMYLXGLQHAPH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035750
ClCCCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_113945840	299.859	KQTKFVMNNFWJNS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035751
ClCCCC(NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_113273561	299.859	XKEQMSQUHLWHMT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035752
ClCCC(CNC(=O)c1cc2c(s1)CCCCC2)C	PC-id_114306086	299.859	ZCTGPIIPUWVTBX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035753
ClCC(CNC(=O)c1cc2c(s1)CCCCC2)(C)C	PC-id_113294903	299.859	HOMLLLKTWKDYEX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035754
ClCCCN(C(=O)c1cc2c(s1)CCCCC2)CC	PC-id_113469112	299.859	WAOORUSACVNWFL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035755
ClCCC(NC(=O)c1cc2c(s1)CCCCC2)CC	PC-id_113496378	299.859	AQOGAHKBCRWKPX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035756
ClCC(C(NC(=O)c1cc2c(s1)CCCCC2)C)C	PC-id_116186841	299.859	KUYYTEVRVPHOSM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035757
ClCCC(NC(=O)c1cc2c(s1)CCCCC2)(C)C	PC-id_116345028	299.859	CHELUNJMMXCYPG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035758
ClCCN(C(C)C)C(=O)c1sc2c(CCCCC2)c1	PC-id_63393884	299.859	WKLVYXMQUDTEGA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035759
ClCC(N(C(=O)c1cc2c(s1)CCCCC2)C)(C)C	PC-id_113476506	299.859	CMNGZBCXBPWWID-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035760
ClCCN(C(=O)c1sc2CCCCCc2c1)CCC	PC-id_63392755	299.859	VNQUGVDTJLECCO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035761
O=C(c1cc2c(s1)CCCCC2)NC(C(Cl)C)(C)C	PC-id_116359695	299.859	SXENIAZZELZVBW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035762
Clc1c2CCNCCc2sc1C(C(C(C)(C)C)C)C	PC-id_142687009	299.902	XSAHQJXXDTWDHA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035763
Clc1c2CCNCCc2sc1C(CC(C)(C)C)(C)C	SCHEMBL2994498,PC-id_59302568	299.902	LNXVLJVUZVZGCG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035764
CCOC(=O)C1=C2C(=CN1C)S(=O)(=O)N[C@H](CO2)C=C	PC-id_154682084	300.078	XVZMSCUGANMRHT-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035765
C1CO[Se]c2cscc2[Se]O1	PC-id_87815555,SCHEMBL5325090	300.096	LHQKQKUEAWUSIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035766
CC(C1=CC2=NSN=C2C=C1)N3CCC4=C(CC3)ON=C4	PC-id_154685687	300.104	DBEJFOJSDLOEEE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035767
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=NN=NN4CC3	PC-id_154685676	300.116	BLWIDUWAFMBZSL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035768
C1CCC2=C(CC1)ON=C2C(=O)NC3=CN=C(C=C3)C(=O)N	PC-id_154735935,MCULE-4877284699,EMOLS-id_317277637	300.122	USVDAHXEBWFZAE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035769
Brc1c2CCNCCc2sc1C(F)(F)F	TT-id_D06VJM,PC-id_11507683,SCHEMBL3003163	300.139	ULYMPOIJIXBOFM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-035770
C1CN(C(=O)Cn2c1cc(n2)Br)CC1COC1	PC-id_135343242,SCHEMBL20517590	300.152	ROWQEJGFTZQWDI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-035771
CN(CC1=CC=CC=C1)C(=O)[C@H]2CCC3=NNC(=O)N3CC2	PC-id_164636305	300.159	KCYROMSZDCHBKA-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035772
Clc1c2-c(c(c1)/C=N/c1ccc(Cl)cc1)ccccc2	PC-id_10685587	300.182	HLIXQFMPNYMOIU-RGVLZGJSSA-N	00000010100000110110000000000010000000000000000000000000	31-01-035773
CCC(C1=NN=C2N1CCCCC2)NCC3=NC=CC(=N3)C	EMOLS-id_317268220,PC-id_154763729,MCULE-1803857067	300.206	OQRJQUWDJOSTFA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035774
O=C(c1ocnc1C(F)(F)F)N1CCCc2c(C1)cco2	EMOLS-id_316623837	300.233	JOQYLEQZCVXNDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035775
BrCc1noc2c1CCCCCCCCCC2	EMOLS-id_315489218,PC-id_80463237	300.235	HDPVGNMBGUEZJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035776
P(=O)(O)(O)CCCCCn1c2c(nc1)NC=NCC2=O	PC-id_10542200	300.251	CZEJWAZMOHLZGL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-035777
P(=O)(O)(O)CCCCCn1c2NC=NCC(=O)c2nc1	PC-id_10590315	300.251	YPXZZYJIQRPVNY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-035778
C1CN(Cc2cnnn2C1)C(=O)c1c2c(cc(c1)F)cco2	PC-id_136565786	300.288	VKLWNJWJCRMXJT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035779
Fc1ccc2c(c1C(=O)N1CCCn3c(C1)cnn3)nc[nH]2	EMOLS-id_318786710	300.291	SGBYLWFYRCAIJU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-035780
N#Cc1cc(ccc1F)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102177956	300.291	VJNWAFPGTIXABZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035781
Fc1cc(F)c(nc1Sc1nnc2n1CCCCC2)F	PC-id_108362923	300.303	FYLUAJOFZJGLPE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035782
COC(=O)CCC(=O)c1cc(c2-c1ccccc2)C(=O)OC	SCHEMBL8481048,PC-id_53921482	300.306	IKTKXSHBQORYFK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035783
Fc1c(/C=C(c2n3CCCCCc3nn2)/C#N)cccc1F	PC-id_60275050	300.306	LBQPPZHBVNOGFD-XFXZXTDPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035784
Fc1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1F	PC-id_72689092	300.306	LBQPPZHBVNOGFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035785
Fc1c(/C=C(c2n3CCCCCc3nn2)/C#N)ccc(F)c1	PC-id_44482953,CoCoCo_3456320	300.306	ZQDGZRWEGUJEJB-WQLSENKSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035786
Fc1c(C=C(c2n3CCCCCc3nn2)C#N)ccc(F)c1	PC-id_72084748,EMOLS-id_26092837,MCULE-4981946165	300.306	ZQDGZRWEGUJEJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035787
Fc1c(/C=C(/c2n3CCCCCc3nn2)C#N)ccc(F)c1	PC-id_8275288,CoCoCo_3456319	300.306	ZQDGZRWEGUJEJB-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035788
Fc1c(C=C(c2n3CCCCCc3nn2)C#N)cc(F)cc1	MCULE-3580920812,PC-id_72050954,EMOLS-id_31998532	300.306	YVEVQIVACZAYSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035789
Fc1c(/C=C(c2n3CCCCCc3nn2)/C#N)cc(F)cc1	PC-id_47046162	300.306	YVEVQIVACZAYSI-WQLSENKSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035790
Fc1c(C=C(c2n3CCCCCc3nn2)C#N)c(F)ccc1	PC-id_78650315	300.306	LEXXDEGTXHLSEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035791
Fc1c(/C=C(/c2n3CCCCCc3nn2)C#N)c(F)ccc1	PC-id_8275310	300.306	LEXXDEGTXHLSEJ-PKNBQFBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035792
Fc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1F	CoCoCo_3559563,PC-id_8863070	300.306	FLGCOFIYQNYELL-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035793
Fc1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1F	MCULE-9816813274,PC-id_72078905,EMOLS-id_26138804	300.306	FLGCOFIYQNYELL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035794
Fc1cc(/C=C(c2n3CCCCCc3nn2)/C#N)ccc1F	PC-id_73673778,CoCoCo_3559564	300.306	FLGCOFIYQNYELL-WQLSENKSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035795
N#C/C(=Cc1cc(F)ccc1F)/c1nnc2n1CCCCC2	PC-id_93977491	300.306	YVEVQIVACZAYSI-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035796
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(cc2)C=O)CC	PC-id_71403583	300.306	LHKRJABRXGJWFQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035797
FC([C@H]1CCCN1C(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102161140,MCULE-8788415458	300.308	PDLPGAHASJVPCF-YGPZHTELSA-N	00000010100000000101000000000010000000000000000000000000	31-01-035798
c1(C(=O)Nc2ccc3c(OCO3)c2)c2CCCCCc2on1	EMOLS-id_2593996,PC-id_3235989,CHEMBL1336496,BindingDB_PC-id_3235989,TIMTEC182717,STOCK7S-16513,BindingDB-id_92333,MCULE-9006714796,ChEMBL-DNDi_CHEMBL1336496,ZINC22_426574	300.309	GXQVFGHDBTVPLR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035799
O1CCN(OC(=O)c2c3-c(c(c2)C(=O)N)ccccc3)CC1	PC-id_69298970,SCHEMBL5065620	300.309	FFMGEYDFVHMTLE-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-035800
O=C(c1noc2c1CCCCC2)Nc1cccc2c1OCO2	EMOLS-id_101003419	300.309	GWYBJXMAVGQYFT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035801
O=C(N1CCCc2c(C1)cco2)Nc1cccc2c1OCO2	EMOLS-id_99350749	300.309	GOFWLFZWCLEUNV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035802
O=C(Nc1nc2c(CCCCC2=O)o1)OCc1ccccc1	EMOLS-id_331249460	300.309	ALUNHFPPIWIMHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035803
OC(=O)c1ccc(cc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_57588325,MCULE-2893116115,PC-id_120515291	300.309	FFKPPUUCOBUODY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035804
OC(=O)c1cccc(c1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_57603825,PC-id_120522402,MCULE-2220862558	300.309	OYOKLHUAZWXXNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035805
N#CC(=Cc1ccc2-c(cc1)ccc2)c1ccc(cc1)[N+](=O)[O-]	PC-id_141486109	300.311	XZFFURTTWBSFIZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-035806
O=C1N=C2C(=CC=CC=C2)C1=Cc1c(=O)[nH]c2-c1ccccc2	PC-id_101764821	300.311	HQFGMWRRRHCHLJ-UHFFFAOYSA-N	00000011100000000110000000000110000000000000000000000000	31-01-035807
[O-][N+](=O)c1ccc(C=Cc2c(c3-c(c2)ccccc3)C#N)cc1	PC-id_86005069	300.311	XRJGDSCDRUGFRU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-035808
c12CN(CCCn1nc(C#N)c2)Cc1occ(c(=O)c1)OC	MCULE-7818961025,ZINC22_670467517,EMOLS-id_222786096	300.313	ZLLNJTOHSWUUGB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035809
c1(C(=O)Nc2ccc3c(OCO3)c2)cn2c(CCNCC2)n1	MCULE-6982777266,ZINC22_1857721362,EMOLS-id_330459928	300.313	LKKJYBUSOCYAFG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035810
c1(C(=O)Nc2ccc(cc2)N(=O)=O)c2CCCCCc2[nH]n1	MCULE-3851670125,EMOLS-id_323255476	300.313	SMJUJBCDOFNWRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035811
Cc1ccc(N(C)C(=O)c2coc3c2C(=O)NCCC3)nn1	EMOLS-id_316951288,MCULE-2025663093,PC-id_136569923,ZINC22_903639219	300.313	ZYHWIXIWNGHASD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035812
CCOC(c1noc(n1)Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_318821779	300.313	SRZUNUJTPJFYQS-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-035813
Cn1cc(NC(=O)c2cc3n(n2)CCCCC3=O)ccc1=O	ZINC22_1875271422	300.313	MGVQOYZTTOJDKM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035814
CN(C(=O)c1coc2c1C(=O)NCCC2)Cc1ncccn1	EMOLS-id_319630721	300.313	OQDURNSTCCBUCN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035815
COC(=O)c1ccc(Cn2cnc3c2NC=NCC3O)cc1	CHEMBL38256,BindingDB_PC-id_44284938,PC-id_44284938	300.313	QAQIOWWCOTYXJM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-035816
O=c1n(Cc2cc(c3ccco3)on2)nc2n1CCCCC2	ZINC22_11050332,MCULE-4617504620,PC-id_17543202,CoCoCo_4447329,EMOLS-id_16808071	300.313	LKMQSURDCJAGFH-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-035817
O=C1N(CCCn2nc(cc12)C(=O)O)CCc1ccncc1	PC-id_10804152	300.313	CHAMAGGGYHLSJN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035818
O=C(c1coc2c1C(=O)NCCC2)N1CC(C1)c1n[nH]cc1	EMOLS-id_320265662,MCULE-8570647154	300.313	MWOAFGMGVOXZSA-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-035819
O=C(c1coc2c1C(=O)NCCC2)NC(c1ncccn1)C	EMOLS-id_318854110	300.313	GKDRVAZXJKARSW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035820
O=C(c1coc2c1C(=O)NCCC2)NCCc1ncccn1	MCULE-4183418788,EMOLS-id_320320299	300.313	PZITUCSIMUPWMK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035821
O=C(Nc1n[nH]c2CCCCCc12)c1c([N+](=O)[O-])cccc1	PC-id_12211779	300.313	MVRLDZROIUHGFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035822
O=C(O)c1cccc(CCn2cnc3c2NC=NCC3O)c1	BindingDB_PC-id_10780561,PC-id_10780561,CHEMBL35524	300.313	NDZNCVGWUGOBIF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-035823
OC(=O)c1cncc(c1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_278689198	300.313	KDCCIWSGZSTSQQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035824
O=C(O)Cc1cccc(Cn2cnc3c2NC=NCC3O)c1	BindingDB_PC-id_10828059,PC-id_10828059,CHEMBL37074	300.313	HEPOTXIVMPVHAR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-035825
O=C(O)Cc1ccc(Cn2cnc3c2NC=NCC3O)cc1	CHEMBL1205001,PC-id_44285202	300.313	HMGNIGRXYXZJKK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-035826
[O-][N+](=O)c1cccc(NC(=O)c2n[nH]c3CCCCCc23)c1	MCULE-6032317156,EMOLS-id_323254455	300.313	QLLOIWIWNSEJSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035827
CC(N1CCCc2c(C1)cco2)c1onc(n1)c1nnc[nH]1	EMOLS-id_319186950	300.316	BINXFWFNWVNNQH-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-035828
Cn1cccc1C(=O)N1CCc2nn(CC#N)c(=O)n2CC1	EMOLS-id_50590069,PC-id_91910690,MCULE-4843898681	300.316	FJVMWPJGNFJRHU-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-035829
Fc1cc(C=C2CCCCc3c2n(nc3C(=O)O)C)ccc1	PC-id_68419361,SCHEMBL2857608	300.327	TZPPRNHZCPOFQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035830
Fc1cc(/C=C/2CCCCc3c2n(nc3C(=O)O)C)ccc1	PC-id_69239007	300.327	TZPPRNHZCPOFQJ-FMIVXFBMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035831
CCOC(=O)c1sc(c2c1OCCCO2)C(=O)OCC	PC-id_10614157,SCHEMBL13515153	300.328	HQPMSGUAFBEWAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035832
OC(=O)CC1(COc2c(OC1)c(sc2C)C)CC(=O)O	PC-id_57857293,SCHEMBL13104079	300.328	HVDGBKDRKVFNEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035833
s1c(c2OCC(CC)(CC)COc2c1C(=O)O)C(=O)O	PC-id_22721291	300.328	MINYPLBAPTXKFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035834
c12CN(CCCn1nc(C#N)c2)Cc1ccc(c(F)c1)OC	MCULE-3718599538,EMOLS-id_222789722,ZINC22_670470890	300.331	PCYBVRKMWVUPAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035835
c12CN(CCOc3ccc(cc3)F)CCCn1nc(C#N)c2	ZINC22_670457248,MCULE-7040129504,EMOLS-id_222776512	300.331	KMBKRVPYAXJRHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035836
COC(=O)c1n(C)cc2c1C=C[C@@H](NS2(=O)=O)[C@H](O)C	PC-id_140762670	300.331	ZTSXARVGVBBGQH-VXNVDRBHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-035837
COC(=O)c1n(C)cc2c1C=C[C@@H](NS2(=O)=O)[C@@H](O)C	PC-id_140762708	300.331	ZTSXARVGVBBGQH-IONNQARKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-035838
COC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(=O)C	PC-id_139462785,SCHEMBL21327921	300.331	XYNRNYWTEUDNPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035839
COC(=O)c1n(C)cc2c1CCN(CS2(=O)=O)C(=O)C	SCHEMBL21327922,PC-id_139462786	300.331	COSRVVGZDAZVGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035840
Fc1ccc2c(c1)N(CC2)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320164761,MCULE-4802888153	300.331	TXMDPACVZZAXLN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035841
Fc1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319234624	300.331	IOSIYSPCEAUCEF-LSDHHAIUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-035842
FC(c1nnc(s1)NCc1nnc2n1CCCCC2)F	MCULE-7620407458,EMOLS-id_318161404	300.331	HSUWEANOWUJLDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035843
FC(=Cc1ccccc1)C(=O)N1CCn2c(nnc2C)CC1	PC-id_26355655,MCULE-5056442327	300.331	BKIZODXYPJYMQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035844
O=C(/C(=Cc1ccccc1)/F)N1CCn2c(CC1)nnc2C	CoCoCo_1609013	300.331	BKIZODXYPJYMQC-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035845
O=C(/C(=C/c1ccccc1)/F)N1CCn2c(CC1)nnc2C	EMOLS-id_44854969,CoCoCo_1609012	300.331	BKIZODXYPJYMQC-KAMYIIQDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035846
s1c2c(N(CCC=C2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1	PC-id_85714293	300.332	CJAWGTMLDSVGPC-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-035847
FC(C1(O)CCN(CC1)Cc1nnc2n1CCCCC2)F	EMOLS-id_111710582	300.347	GHJKJJZRFINHOD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-035848
OCC(F)(F)[C@@H]1CCN(Cc2nnc3n2CCCCC3)C1	ZINC22_2325809738	300.347	FBOBRIKEEVKRGF-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-035849
OCC(F)(F)[C@H]1CCN(Cc2nnc3n2CCCCC3)C1	ZINC22_2325809739	300.347	FBOBRIKEEVKRGF-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-035850
O[C@@H]1CCN(Cc2nnc3n2CCCCC3)CCC1(F)F	ZINC22_2325771939	300.347	DLHYNSHHAJSMJI-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035851
O[C@H]1CCN(Cc2nnc3n2CCCCC3)CCC1(F)F	ZINC22_2325771940	300.347	DLHYNSHHAJSMJI-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-035852
[Na+].S(=O)(=O)(c1c2-c(cc(ccc2C)C(C)C)c(c1)C)[O-]	CHEMBL1837010	300.348	GEYJUFBPCGDENK-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-035853
CCCCc1cc(c2-c1cc(ccc2)C(=O)O)C(=O)OCC	PC-id_141580561	300.349	IFWWECVUJSOMBU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035854
CCOC(=O)c1cc(c2-c1cccc(c2)C(=O)O)CC(C)C	PC-id_141580592	300.349	FKNJDQNAFWEOHX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035855
CCOC(=O)c1ccc2-c(cc1)cc(c2)C(=O)OC(C)(C)C	4100549_OpenMolecule,PC-id_102001511	300.349	AIFAMLSQGRIUCN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035856
CCOC(=O)c1c(CC(=O)C)cc2-c1ccccc2OCC	PC-id_102293860	300.349	YIXBHLITSGSVLX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035857
O(C(=O)c1c2-c(c(c1C(=O)OC)C)c(cc(cc2C)C)C)C	PC-id_13609853	300.349	XIGHFVONIOIJNV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035858
O(C(=O)c1c2-c(cc(CCCC)ccc2)cc1C(=O)OC)C	PC-id_85657437	300.349	UVWRVSDBGYILQC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035859
O1Cc2n(nc(c2)COCCOCCOCCOCC1)C	PC-id_14292153	300.351	XKIZFSNFBXIRDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035860
o1c(C(=O)c2c3-c(c(c2)C)ccccc3)cc2c1ccc(c2)C	PC-id_10891930	300.351	RZVXRLNRYFFOKO-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-035861
o1c(C(=O)c2c3-c(c(c2)C)ccccc3)cc2c1c(ccc2)C	PC-id_11120121	300.351	ZOWKQXQMYYXAIY-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-035862
o1c(C(=O)c2c3-c(c(c2)CC)ccccc3)cc2c1cccc2	PC-id_10859560	300.351	PMLLINFIQDKUCB-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-035863
c1(C(=O)c2ccc(cc2)OCC)n(O)c2c(CCCCC2)n1	PC-id_777950,CHEMBL1445515,CoCoCo_332687,ZINC22_269088,STOCK3S-65451,EMOLS-id_1464429,ChEMBL-DNDi_CHEMBL5074-0144,MCULE-9791893071,BAS-05210392	300.352	IDCGGZJYYVHOJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035864
c1(C(=O)Nc2ccccc2OCC)c2CCCCCc2on1	EMOLS-id_21980657,MCULE-3428704799,ZINC22_20190249,PC-id_17254364,TIMTEC510815	300.352	VTNXTVGDHGVRBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035865
c1(C(=O)Nc2ccc(cc2)OCC)c2CCCCCc2on1	EMOLS-id_21980679,TIMTEC184472,MCULE-3706074360,ZINC22_20176860,PC-id_17254375	300.352	GZPCMUKNFJNJOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035866
c1(C(=O)Nc2cc(C)ccc2OC)c2CCCCCc2on1	EMOLS-id_21980663,TIMTEC592601,PC-id_17254367,MCULE-3828640507,ZINC22_20357204	300.352	ZGTIBGZLBHSZCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035867
c1(C(=O)NCc2ccc(cc2)OC)c2CCCCCc2on1	ZINC22_426550,PC-id_3240008,TIMTEC471165,MCULE-5748063519,EMOLS-id_6683126,ChEMBL-DNDi_CHEMBL1588191	300.352	UBEISKHWTIDIGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035868
c1(C(=O)NCc2cccc(OC)c2)c2CCCCCc2on1	ZINC22_20274305,MCULE-4762110524,PC-id_17254355,TIMTEC222990,EMOLS-id_21980641	300.352	IQNNPXFEXQBEPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035869
CCc1cc2n(c1C(=O)c1ccc[nH]1)CCCCC2C(=O)O	PC-id_70534536,SCHEMBL11195743	300.352	XCDIEJRVGZCIBR-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-035870
CCCc1cc(cc(=O)[nH]1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_318636059	300.352	BHBZMODSBRIHEV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-035871
CCn1cccc1C(=O)c1ccc2n1CCCCC2C(=O)O	PC-id_70535677,SCHEMBL11200002	300.352	NSLPWUWCPQIOGF-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-035872
CCOC1CN(Cc2cccn2C1)C(=O)c1cccc(O)c1	EMOLS-id_55752207	300.352	HNQUWICUHOOALQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035873
CCO[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2cccn2C1	ZINC22_575405356	300.352	HNQUWICUHOOALQ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035874
CCO[C@H]1CN(C(=O)c2cccc(O)c2)Cc2cccn2C1	ZINC22_575405359	300.352	HNQUWICUHOOALQ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035875
CCOC(=O)c1c2-c(c(c1N)C(=O)N)cccc(c2)C(C)C	PC-id_144553729	300.352	QRQKZDSBGPAPPR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-035876
CC(=O)Oc1cccccc(c2c(c1O)[nH]c(n2)C(C)C)C	PC-id_145163466	300.352	BBANNJVVRAQPNO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-035877
COc1ccc(cc1)Cn1cc2c(n1)C(C)(C)OCCC2=O	SCHEMBL366179,PC-id_66667493	300.352	YZMLKGCZERKTAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035878
COc1cccc(c1)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318501624	300.352	XSGDAKFTDZTDSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035879
COc1ccc(cc1)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318623424	300.352	RPDOCXQZSNXKKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035880
COc1ccccc1CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318623991	300.352	UIPSHYPXAZLEQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035881
COC1CCC(=O)c2c(C1)nn(c2)Cc1ccc(cc1)OC	PC-id_66667305,SCHEMBL365744	300.352	TYKVNSRADKWSEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035882
COCc1ccccc1NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318567257	300.352	IULPHRLLYGLCAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035883
COCc1ccc(cc1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318666139	300.352	GIBWIQUFDKJIPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035884
COCc1cccc(c1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318719406	300.352	PLCZDCUCVZLZFO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035885
COC(=O)C1CCCCn2c1ccc2C(=O)c1cccn1C	PC-id_70535082,SCHEMBL11197950	300.352	INUYKIFNEPEHPL-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-035886
o1n(c2CCCCCc2c1=O)C(=O)NCc1c(cccc1)C	PC-id_59370574,SCHEMBL13303473	300.352	XGHFPAANHGSRRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035887
O(C1CCN(Cc2occc12)C)c1ccc(NC(=O)C)cc1	PC-id_68412157	300.352	PMWQTOPCDWKJCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035888
O(c1n(c2CCN(CCc2c1)Cc1ccccc1)C)C(=O)O	PC-id_70556102,SCHEMBL11292999	300.352	RKPNJZNPMMRYGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-035889
O=C(C1n2c(C(CCC1)C(=O)O)cc(c2)C)c1n(ccc1)C	SCHEMBL11195693,PC-id_70534526	300.352	DQGARIJCFNCBNE-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-035890
O=C(c1noc2c1CCCCC2)NC1CCCc2c1cco2	EMOLS-id_111824311	300.352	OTVDMIIKSHAFQB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035891
O=C(c1noc2c1CCCCC2)Nc1ccc(c(c1C)O)C	EMOLS-id_111934390	300.352	SNPJNLIKNPZVQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035892
O=C(c1noc2c1CCCCC2)Nc1cc(C)c(c(c1)C)O	EMOLS-id_111936103	300.352	XHGFBSDEEJEJAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035893
O=C(NCCc1ccccc1O)c1noc2c1CCCCC2	MCULE-7857514761,EMOLS-id_316873046,ZINC22_156391522	300.352	FPHUUPNMAOSXMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035894
Cc1ccc2c(c1)/C(=C/c1c(N)cc3-c1ccccc3)/C(=O)N2	SCHEMBL13324648,PC-id_59301649	300.354	FOBFSBGQDYCHLE-BOPFTXTBSA-N	00000010100000100110000000001010000000000000000000000000	31-01-035895
COC1=CCC=c2c(=C1)[nH]c(c2C#N)C#Cc1ccc(cc1)C	PC-id_143184831	300.354	LUBNYAGDAGFZMV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-035896
O=C1Nc2c(C1=Cc1c3-c(cc1N)ccccc3)cc(cc2)C	PC-id_72251205	300.354	FOBFSBGQDYCHLE-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-035897
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1cccnc1	MCULE-4688078635,EMOLS-id_43098141,PC-id_56892101,ZINC22_72421046	300.356	FTXSIBSDZRQYOH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035898
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccncc1	EMOLS-id_43168084,ZINC22_72476584,MCULE-7804587687,PC-id_56912890	300.356	FCJKLBPVMGOFEX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035899
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1cccnc1C	MCULE-8129818898,EMOLS-id_55670339,PC-id_91783641	300.356	OHLBIAFQTBINMH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035900
c12CN(CCCn1nc(CO)c2)C(=O)CCc1ccccn1	MCULE-2796498339,PC-id_91763585,EMOLS-id_55612843	300.356	YROVGCYGCGSZSW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035901
C1Cc2cnnn2COC[C@H](NC(=O)C1)Cc1ccccc1	PC-id_134828909	300.356	RUCJHZKRGZSSFV-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035902
c1cc(CNCc2nnc3n2CCCCC3)c2c(c1)OCO2	MCULE-4664464904,ZINC22_47697673,PC-id_51081584,EMOLS-id_31970476	300.356	XJQMVXLIGFPDQL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035903
C1CN(CCn2c1n[nH]c2=O)C(=O)CCCc1ccccc1	PC-id_91922349	300.356	GARCRZUMLXDCHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035904
Cc1ccccc1NC(=O)Cn1nc2n(c1=O)CCCCC2	CoCoCo_4447314,ZINC22_11049181,PC-id_41793713,EMOLS-id_18870708,MCULE-9755342939	300.356	CAOVTSVWYNERAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035905
Cc1ccc(c(c1)NC(=O)N1CCc2c(CC1)[nH][nH]c2=O)C	EMOLS-id_68915646,PC-id_118782698,MCULE-8581234808	300.356	MXGODEVVTZDUKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035906
Cc1cccc(n1)CONC(=O)c1cnc2n1CCCCC2	EMOLS-id_278448530	300.356	PVJAGULCRZJHKA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035907
Cc1cccc(n1)CONC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319100671	300.356	KGZBVUZOYCFUGK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035908
Cc1cccc(NC(=O)Cn2nc3CCCCCn3c2=O)c1	SPECS-id_AT-687/NB01936,PC-id_17531298,MCULE-7392712822,CoCoCo_4406364,EMOLS-id_16769017,ZINC22_12798916	300.356	GSUUEXWMZDQXQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035909
Cc1cc(cc(=O)[nH]1)C(=O)NCc1n[nH]c2CCCCCc12	ZINC22_216087211,EMOLS-id_49890839,MCULE-6497024671,PC-id_77092602	300.356	IMRDLFXAWSNRGI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035910
Cc1ccc(NC(=O)Cn2c(=O)n3c(CCCCC3)n2)cc1	EMOLS-id_11923000,CoCoCo_4406369,SPECS-id_AT-687/NB01929,PC-id_17407536,ZINC22_9690884,MCULE-7674176905	300.356	CDLYHSWZOHWWFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035911
Cc1cc(C)[nH]c(=O)c1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319111172	300.356	XTLURMZHPNNRNP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035912
CC1(C)CNC(=O)c2cn(Cc3coc(C4CC4)n3)nc2C1	PC-id_139021807,EMOLS-id_320341877,MCULE-6501865604,ZINC22_871790517	300.356	TZTUGUUPUCBXOH-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035913
CC1CNc2n(C1)ncc2C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319788530	300.356	DBUBCUVSQSSHGN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035914
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)c1onc(c1)C	EMOLS-id_319505470	300.356	GROICWKZFTYZGM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035915
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)cc([nH]c1=O)C	EMOLS-id_319459464	300.356	ONWBGXJWIFQZSR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035916
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)onc1C1CC1	EMOLS-id_320002092,MCULE-2123667863	300.356	DBNSSFAYHHBSKN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035917
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc(n1)C1CCC1	EMOLS-id_318836575	300.356	OWCPOSIGIOSGBI-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-035918
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc(n1)CC1CC1	EMOLS-id_318933295	300.356	OSRWELWZIDJPAN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-035919
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1noc2c1CCCC2	EMOLS-id_318790089	300.356	MNNSKZUZVNIHRU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035920
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1oc(nc1C)C1CC1	MCULE-4758397461,EMOLS-id_320197988	300.356	WXTXHPUMQZNBHN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035921
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1onc2c1CCCC2	EMOLS-id_318985680	300.356	MGPMHBOMPBDZBN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-035922
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ccc(cc1=O)C	EMOLS-id_320017178,MCULE-4443278321	300.356	NOVOJPGHVZYDCN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035923
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COCc1ccccn1	MCULE-5862509893,EMOLS-id_319948734	300.356	QHJUPYGDZSXEPW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035924
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COCc1cccnc1	MCULE-5334985758,EMOLS-id_320246562	300.356	RJKOYVOZSYNWAX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035925
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COCc1ccncc1	EMOLS-id_319630733	300.356	AEOBDZVUDYVDSB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035926
CC1CN(CC(=O)Nc2ccc(cc2)O)Cc2c(C1)[nH]nc2	EMOLS-id_319093522	300.356	VPKHOPXYTLOGCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035927
Cc1nc2n(c1)CCCN(CC2)Cc1nccc(c1)C(=O)O	SCHEMBL19741621	300.356	OIDBCWZGXLOXPQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035928
Cc1ncccc1C(=O)N1CCCn2nc([C@H](C)O)cc2C1	PC-id_100097620,ZINC22_222455629	300.356	OHLBIAFQTBINMH-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035929
Cc1ncccc1C(=O)N1CCCn2nc([C@@H](C)O)cc2C1	ZINC22_222455566,PC-id_100097616	300.356	OHLBIAFQTBINMH-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035930
Cc1noc(c1NC(=O)c1cnc2n1CCCCC2)C1CC1	EMOLS-id_318468484	300.356	IVMAWRVTKZQZDM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035931
CCCc1nccc(n1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318498545	300.356	XREDNKVVLKBWBU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035932
CC(C)Oc1ccc(cc1)C(=O)N1CCc2nncn2CC1	PC-id_42407195,EMOLS-id_20413266,ZINC22_12099621,CoCoCo_1149450,MCULE-5072012889	300.356	VHWDBAPWMYKCAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035933
C=CCOCC1CN(Cc2ccnn2C1)C(=O)c1ccc[nH]1	EMOLS-id_44326963	300.356	PXMHVYYCYMMPPP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-035934
C=CCOC[C@H]1CN(C(=O)c2ccc[nH]2)Cc2ccnn2C1	PC-id_97463453,ZINC22_96189034	300.356	PXMHVYYCYMMPPP-ZDUSSCGKSA-N	00000000110000000101000000000010000000000000000000000000	31-01-035935
C=CCOC[C@@H]1CN(C(=O)c2ccc[nH]2)Cc2ccnn2C1	ZINC22_96189035,PC-id_97463454	300.356	PXMHVYYCYMMPPP-CYBMUJFWSA-N	00000000110000000101000000000010000000000000000000000000	31-01-035936
CCC(=O)N1Cc2cncn2C[C@H](COc2cccnc2)C1	PC-id_97476312,ZINC22_96208185	300.356	PIYHSGRLJFOKQO-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035937
CCC(=O)N1Cc2cncn2C[C@@H](COc2cccnc2)C1	ZINC22_96208186,PC-id_97476313	300.356	PIYHSGRLJFOKQO-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035938
CCC(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	PC-id_91922510,MCULE-9347350184,EMOLS-id_50590099	300.356	UBSDAAKRFGWVNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035939
CCC(=O)N1CC(COc2cccnc2)Cn2cncc2C1	EMOLS-id_49231295	300.356	PIYHSGRLJFOKQO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035940
CC(Nc1nnccc1C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_319428775	300.356	FHGGCOWOWIJYLF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035941
CCOc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319073489	300.356	ZMWPICTXPFGRMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035942
CCOc1ccccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319300878	300.356	UXKHFYMIEGBNAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035943
CCOc1ccc(NC(=O)N2CCCn3cncc3C2)cc1	EMOLS-id_43057700,PC-id_56882200,MCULE-3223487002,ZINC22_72121850	300.356	RMQPVXVSUULNAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035944
CCOc1nccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319584339	300.356	AMQHUDWEWWOBIM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035945
CCOC(=O)c1ccnc(c1)CN1CCCn2c(C1)ncc2	PC-id_118421390,SCHEMBL17145118	300.356	APCABRNEHLMBNG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035946
CC(=O)N1Cc2cncn2C[C@H](COCc2ccccn2)C1	PC-id_97475844,ZINC22_96207717	300.356	YAHIAOLTVFTPJR-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035947
CC(=O)N1Cc2cncn2C[C@@H](COCc2ccccn2)C1	ZINC22_96207718,PC-id_97475845	300.356	YAHIAOLTVFTPJR-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035948
CC(=O)N1CC(COCc2ccccn2)Cn2cncc2C1	EMOLS-id_49230559	300.356	YAHIAOLTVFTPJR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035949
CC(=O)OC(C1CCCCCn2c1nnn2)c1ccccc1	SCHEMBL13482975,PC-id_58993118	300.356	ZHHVXRAOWPFUAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035950
Cn1cccc1C(=O)C(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_827608560,MCULE-3433633141,EMOLS-id_232860466	300.356	VICQXXDOTFHTOR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-035951
CN1CCC(=O)c2c(C1=O)n(CCCCn1cncc1)cc2	PC-id_20085248,SCHEMBL9265702	300.356	GGKJZJKSOQHWPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-035952
Cn1nc2CCCCC(C(=O)NCc3ccccc3)n2c1=O	EMOLS-id_207869448,MCULE-5716641527	300.356	VKDGDXLUIOIRGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035953
Cn1nc2CCN(Cc3ccc4OCCc4c3)CCn2c1=O	MCULE-1191572187,PC-id_110197887,EMOLS-id_96925831	300.356	MQFKVYCLWKVKMK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-035954
Cn1ncc(c1)[C@@H]1C[C@H]1NC(=O)c1noc2c1CCCCC2	EMOLS-id_319194238	300.356	BAACIFLJUWFGFU-QWHCGFSZSA-N	00100000100000000101100000000010000000000000000000000000	31-01-035955
CN(C(=O)C1CCn2c(CC1)n[nH]c2=O)Cc1ccccc1	MCULE-3898160387,EMOLS-id_207876587	300.356	KCYROMSZDCHBKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035956
CN(C(=O)Cn1nc2CCCCCn2c1=O)c1ccccc1	SPECS-id_AT-687/NB01978,EMOLS-id_48461827,PC-id_75526899,MCULE-5853727402,ZINC22_98211238	300.356	LHTZCNPTGZQCGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035957
COc1ccccc1CCC(=O)N1CCc2nncn2CC1	EMOLS-id_20749701,CoCoCo_1647322,ChEMBL-DNDi_CHEMBL99442422,MCULE-2866197187,PC-id_26403848,ZINC22_15072255	300.356	JCGORYNJJAFPII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035958
COc1cccc(c1)C(C(=O)N1CCCc2c(C1)c[nH]n2)N	EMOLS-id_316606557	300.356	GZLQLAVNKFZOPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035959
COc1ccccc1C(=O)NCc1nnc2n1CCCCC2	PC-id_30547174,ZINC22_22701124,EMOLS-id_30687734,MCULE-9801439977	300.356	DGTPWPSVLHKIJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035960
COc1ccccc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101847127	300.356	RCHDCTNLUJBIMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035961
COc1cccc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101847148	300.356	GGJVQRAUMLFZAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035962
COc1ccc(cc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101847151	300.356	IKMPLOVFRYXXLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035963
COc1cc(C)ccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319822638	300.356	PCMIFRFKFRFDCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035964
COc1cccc(C(=O)NCc2nnc3n2CCCCC3)c1	PC-id_30547187,MCULE-3241059005,ZINC22_22701137,EMOLS-id_31380192	300.356	CEFFBMVJKLYMPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035965
COc1ccc(c(n1)C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318581030	300.356	KIRIXFXXRSPMMS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035966
COc1cc(ccn1)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-3793235603,ZINC22_584894684,EMOLS-id_177438659	300.356	WXQWXANDFAXYRA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035967
COc1cc(C)cnc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319651373	300.356	ITCUUGBYAVRKDZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035968
COc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1	ZINC22_48291096,PC-id_47019767,MCULE-1218292991,EMOLS-id_30687738	300.356	KEGXKHXRPLEGMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035969
COc1cccnc1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316669783	300.356	JXYGSMKPYRHAPT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035970
COc1ccc(nc1NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318692564	300.356	RYKDKMZKEHZKOH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035971
COc1ccncc1Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318329473	300.356	ZZUUHIJQYATDQJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035972
COc1ccnc(c1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_320147056,MCULE-7289789412	300.356	UMCXDKHUWMEOGT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035973
COc1cncc(c1C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318872253	300.356	UMKCEAQEUNQALJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035974
COc1cncc(c1)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_319460973	300.356	CZMFITSSQNIYPU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035975
COc1cncc(c1)CNC(=O)c1n[nH]c2c1CCCCC2	MCULE-3257815028,EMOLS-id_319924984	300.356	FORVDDPOHQLUER-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035976
COc1nccc(c1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318188336	300.356	ZTHDVYDQXRCNJQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035977
COc1ncc(cc1NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318435520	300.356	BWXQDFFTUSWLNM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035978
COc1nc(C)ccc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674817	300.356	PQCJMZWQPNAYIN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035979
COc1nc(C)ccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-1196476234,EMOLS-id_319919745	300.356	MBBAYACAHASMIT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035980
COc1nn(C)c2c1CCCN(C(=O)c1cccc(C)n1)C2	EMOLS-id_44366606,ZINC22_96254448,PC-id_97515499	300.356	LYHNPWVALRDKPQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035981
COCc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316649056	300.356	OTMKUELLKILOML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035982
COCc1ccccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316731024	300.356	HOBAQPFDXXUDTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035983
COCC1CN(Cc2cncn2C1)C(=O)c1ccc(C)cn1	EMOLS-id_49229689	300.356	BCPPMZVYXDZFJT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035984
COCC1CN(Cc2nccn2C1)C(=O)c1cccc(C)n1	PC-id_118745043,CHEMBL3552544,EMOLS-id_46148445	300.356	VCAJXGAKRVOCQA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035985
COCCC1CN(Cc2cccn2C1)C(=O)c1ccncn1	EMOLS-id_313838888	300.356	XPPHGUXGTPTQDD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035986
COCCC1CN(Cc2cccn2C1)C(=O)c1ccnnc1	EMOLS-id_313838633	300.356	OTMDUSZYXDQJHV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035987
COCC[C@H]1CN(C(=O)c2ccncn2)Cc2cccn2C1	ZINC22_585095563	300.356	XPPHGUXGTPTQDD-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035988
COCC[C@@H]1CN(C(=O)c2ccncn2)Cc2cccn2C1	ZINC22_585095564	300.356	XPPHGUXGTPTQDD-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035989
COCC[C@H]1CN(C(=O)c2ccnnc2)Cc2cccn2C1	ZINC22_585095309	300.356	OTMDUSZYXDQJHV-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035990
COCC[C@@H]1CN(C(=O)c2ccnnc2)Cc2cccn2C1	ZINC22_585095310	300.356	OTMDUSZYXDQJHV-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-035991
COC[C@@H]1CN(C(=O)c2ccc(C)cn2)Cc2cncn2C1	PC-id_97475259,ZINC22_96207115	300.356	BCPPMZVYXDZFJT-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035992
COC[C@H]1CN(C(=O)c2ccc(C)cn2)Cc2cncn2C1	PC-id_97475260,ZINC22_96207116	300.356	BCPPMZVYXDZFJT-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035993
COC[C@H]1CN(C(=O)c2cccc(C)n2)Cc2nccn2C1	PC-id_97381749,ZINC22_96059096	300.356	VCAJXGAKRVOCQA-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035994
COC[C@@H]1CN(C(=O)c2cccc(C)n2)Cc2nccn2C1	ZINC22_96059095,PC-id_97381748	300.356	VCAJXGAKRVOCQA-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035995
COC(=O)c1ccnc(c1)CN1CCCCn2c(C1)ncc2	PC-id_118421233,SCHEMBL17144910	300.356	CZFPVNMVUXBLAH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-035996
CON(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1	EMOLS-id_316636506	300.356	AYVOGMOPBYYQDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035997
O1C[C@@H](NC(=O)CCCc2n(nnc2)C1)Cc1ccccc1	PC-id_54649875,CHEBI:126908	300.356	RUCJHZKRGZSSFV-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035998
O1C[C@H](NC(=O)CCCn2nnc(C1)c2)Cc1ccccc1	PC-id_54649876,CHEBI:128096	300.356	SMEGXRGRDNJMDW-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-035999
O1C[C@@H](NC(=O)CCCn2nnc(C1)c2)Cc1ccccc1	PC-id_54649877,CHEBI:128051	300.356	SMEGXRGRDNJMDW-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036000
O1CC(NC(=O)CCCc2n(nnc2)C1)Cc1ccccc1	PC-id_76161113	300.356	RUCJHZKRGZSSFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036001
O1CC(NC(=O)CCCn2nnc(C1)c2)Cc1ccccc1	PC-id_76161114	300.356	SMEGXRGRDNJMDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036002
O1CCNC(=O)[C@@H](CCn2nnc(c2)C1)Cc1ccccc1	PC-id_71759280	300.356	ACOONYMMYCEDHD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036003
O1CCNC(=O)[C@H](CCn2nnc(c2)C1)Cc1ccccc1	PC-id_71760277	300.356	ACOONYMMYCEDHD-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036004
O1Cn2nncc2CC[C@H](Cc2ccccc2)C(=O)NCC1	PC-id_71759507	300.356	VIBVUMOWBQOFJS-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036005
O1Cn2nncc2CC[C@@H](Cc2ccccc2)C(=O)NCC1	PC-id_71760184	300.356	VIBVUMOWBQOFJS-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036006
OC1c2ncn(CCCc3c(cccc3)C)c2NC(=O)NC1	PC-id_69841245,SCHEMBL6616337	300.356	XQPDESQVJUTMNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036007
Oc1cccc(c1)C(C(=O)N1CCCn2c(C1)cnn2)(C)C	EMOLS-id_319034614	300.356	IVBWYYXNPVJWBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036008
Oc1ccc(cc1)CN(C(=O)C1CCn2c(CC1)nnc2)C	MCULE-2947937096,EMOLS-id_319918217	300.356	CPACLTYOFZSIEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036009
Oc1cccc(c1)CN(C(=O)C1CCn2c(CC1)nnc2)C	MCULE-7594710872,EMOLS-id_320038667	300.356	XYBAARGNXJLSSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036010
Oc1cccc(c1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101715491	300.356	PMVCRHPYBBGEJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036011
Oc1ccc(cc1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101719743	300.356	OGVLJNVFDOPOPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036012
Oc1ccc(nc1)CC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-1973946799,EMOLS-id_319871653	300.356	IYNWZSXHFVWVIC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036013
O=C(C1(CCC1)Cc1cnn[nH]1)N1CCCc2c(C1)cco2	EMOLS-id_319608305	300.356	CGRRFLQZFNQIFY-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-036014
OC(c1ccccc1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319294274	300.356	XHNXYJBSBXMTGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036015
OCc1ccc(cc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319049158	300.356	FJGMZUDWVWOIQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036016
O=C(C1CCCCc2n1c(=O)[nH]n2)Nc1ccc(cc1C)C	MCULE-5510793408,EMOLS-id_207869263	300.356	FOUNIGZHYNAITA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036017
OCc1ccc(cn1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319154150	300.356	RJHFNBILKZWEGJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036018
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CN(C)C[C@H]1CCn2nccc2CN1C(=O)c1cnccn1	ZINC22_585097893	300.359	SPJAXXWLEYZTGB-GFCCVEGCSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036106
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NCc1ccc(CNC(=O)[C@H]2CCCCn3nnnc23)cc1	PC-id_97809336,ZINC22_97076232	300.359	VFNNDIUEZQMFIU-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036111
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O=C(c1cnn(c1)C1CCCC1)N1CCCn2c(C1)cnn2	EMOLS-id_318832509	300.359	AZKNDRPZOKHTFX-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-036121
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O=C(Nc1ccc(c(c1)C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102023905	300.359	JGIGAZLGFXVHKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036138
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O=C(Nc1c(C)cccc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102027364	300.359	POVMMPWSPYSQSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036141
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CCOC(=O)CCOCC1(C)COc2c(OC1)csc2	PC-id_143322849	300.371	BRGAXLRCBIXSDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036153
CCC(S(=O)(=O)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_112072453	300.374	VYGZJASZSHIKME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036154
CC(CS(=O)(=O)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_112072582	300.374	DGLSPKFDEZRTJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036155
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Fc1ccc2c(c1)CCC2NCc1nnc2n1CCCCC2	EMOLS-id_318032491	300.374	ZRADPJNXDOETEF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-036157
Fc1ccc2c(c1)C(CC2)NCc1nnc2n1CCCCC2	EMOLS-id_318291902	300.374	FWZFIMYEZIUSSE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-036158
Fc1cccc2c1CCC2NCc1nnc2n1CCCCC2	EMOLS-id_318148805	300.374	MKXONGQURQPFBJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-036159
Fc1ccc(cc1)C1(NCc2nnc3n2CCCCC3)CC1	EMOLS-id_318120766,MCULE-3574372742	300.374	ZCPHBRCZNGUOMO-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-036160
Fc1ccccc1C1(NCc2nnc3n2CCCCC3)CC1	EMOLS-id_318383044,MCULE-7283771324	300.374	DOGMHVOJHOAAKL-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-036161
Fc1cccc(c1)C1(NCc2nnc3n2CCCCC3)CC1	MCULE-9819918713,EMOLS-id_318213430	300.374	LITBUBKYHYFVFI-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-036162
c1(C(=NO)c2ccccc2)sc2c(C(=NO)CCCC2)c1	PC-id_5413811,MCULE-8986484053	300.375	MZHOKWFVRULYSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036163
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N#Cc1[nH]cc(c1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110904417	300.379	CSARCTMZWIRFQP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-036200
O=c1n(ccc2c1scc2)Cc1nnc2n1CCCCC2	EMOLS-id_100824473	300.379	JBSUSJGRQBCJAH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-036201
O=C(c1cc2c([nH]1)ccs2)N1CCCc2c(C1)cnn2C	EMOLS-id_101671475	300.379	HECJTXVMOAKZJL-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-036202
OCc1ccc(c(c1)C#N)Sc1nnc2n1CCCCC2	PC-id_108291979	300.379	XLXDAVRUBNLSQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036203
s1c2CCCCCc2c(c1NC(=O)c1c([nH]nc1)C)C#N	PC-id_64450712	300.379	QNHKRJKSEUZOOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036204
s1c2CCCCCc2c(c1NC(=O)c1[nH]cc(N)c1)C#N	PC-id_61117264	300.379	OKIXPOYBNPYRHJ-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-036205
c1cc(n(c1)c1nccs1)CN1CCn2c(CC1)nnc2	CoCoCo_1219093,CoCoCo_1219094	300.382	ZVMONMGEQJQUGS-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-036207
c1csc(c2ccn(Cc3nnc4n3CCCCC4)n2)n1	MCULE-7185046645,ZINC22_278591127,EMOLS-id_316188190	300.382	GYMWCLCWUPIBGR-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-036208
c1nc(NCc2cc3n(n2)CCCNC3)c2sccc2n1	EMOLS-id_44450657,ZINC22_82160731,MCULE-3533387341,PC-id_70782531	300.382	XKZQDSUSSOKGTB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-036209
Nc1cc2cn[nH]c2cc1Sc1nnc2n1CCCCC2	PC-id_107491355	300.382	FVIPKMHEHPYPNL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-036210
S(c1n2CCCCCc2nn1)c1[nH]c2c(n1)ccc(N)c2	PC-id_80155998	300.382	XSRJLLXIRXCYGS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-036211
S(c1n2CCCCCc2nn1)c1nnc(c(c1C#N)C)C	PC-id_60727095	300.382	WUFYXTIOSLTWLQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036212
CCOC(=O)C(Cc1ccc(cc2-c1ccc2C)C(C)C)O	PC-id_101798383	300.392	JESFSTCTFLYFNG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036213
COC(=O)c1c(CO)cc2-c1c(C)cc(cc2C)C(C)(C)C	PC-id_101932757	300.392	JBELGHFPLPJDPH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036214
O(c1c2-c(c(cc2CC)C(=O)OCC)cc(C(C)C)cc1)C	PC-id_10040465	300.392	QJIBHJDBRREESH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036215
OC(c1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2)CCC	PC-id_67895210	300.392	LWAIDRKSMADTOJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036216
OCCCCCCCc1c2-c(c(c1)C(=O)OC)ccccc2	PC-id_11779570	300.392	XALNSKFNKODTHW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036217
O(C(=O)c1c2-c(c(CCCCO)c1)cccc(C(C)C)c2)C	PC-id_10334981	300.392	FWBLMAQDKWAUEU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036218
O(C(=O)c1c2-c(c(CCCCO)c1)ccc(C(C)C)cc2)C	PC-id_11722345	300.392	HLKMCYRIXZWLCT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036219
CC(=O)/C=C(/c1ccc2-c1ccccc2)C=C(/C1C=CC=C1)C	PC-id_101839125	300.394	RQZUYRJHMKLCFD-NVVUQHMZSA-N	00000011100000000110000000000010000000000000000000000000	31-01-036220
C1CN(CCN2CCCc3c(C2)cco3)Cc2c(C1)occ2	EMOLS-id_316193806,MCULE-7596642122	300.395	JKLPMRQFXJVQIU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-036221
CC[C@@H](C(C(=O)C)NC(=O)Cc1c[nH]c2c1C=CCC=C2)C	PC-id_143041583	300.395	JVKGQORBWAFUQE-RSXQAXDFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-036222
COc1ccc(cc1OC)C(C)c1n[nH]c2CCCCCc12	EMOLS-id_337933335	300.395	JRKBZMJBCGDWEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036223
[nH]1c2=CCCCC=c2nc1Cc1ccc(cc1)c1ccccc1	PC-id_57139212	300.397	VFTXCKPXVQMCHH-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-036224
O=C(N1CCCCc2c1sc(n2)C)C1CS(=O)(=O)C1	EMOLS-id_319041771	300.397	FDTTZYYGADWGKB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-036225
c1cc(CN2CCc3ncc(CN4CCCC4)n3CC2)co1	ZINC22_96196851,PC-id_97466995,EMOLS-id_44328635	300.399	NSOCFZJBVMNEDE-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-036226
C1CCn2c(CC1)nnc2CCNC1CCCc2c1cco2	MCULE-6832040049,EMOLS-id_318138691	300.399	AEPPIMLLTILHKA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036227
c1(ccn(C)c1C)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	PC-id_121497200,ZINC22_426403868,EMOLS-id_177380979,MCULE-7821518910	300.399	ZGFHGUGCDVJDJS-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-036228
c1(C(=O)N2C[C@@H]3[C@@H](CC(=CC3)C)C2)nnc2CCCCCn12	EMOLS-id_55696239,MCULE-5413395859,ZINC22_223378007	300.399	HZGLLHDCBSPYCI-KGLIPLIRSA-N	00000010100011000101000000000110000000000000000000000000	31-01-036229
c1(C(=O)NCc2cccn2C(C)C)c2CCCCCc2[nH]n1	MCULE-2304190749,EMOLS-id_323249597	300.399	JDQKHGUKMCGAOS-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-036230
CC1CC1c1ccc(o1)CNCc1nnc2n1CCCCC2	PC-id_119163926,EMOLS-id_50976940,MCULE-1772335460	300.399	ZNPOBVSRVKHQBK-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-036231
CC1=CCC2CN(CC2C1)C(=O)c1nnc2n1CCCCC2	PC-id_91792510	300.399	HZGLLHDCBSPYCI-UHFFFAOYSA-N	00000010100011000101000000000110000000000000000000000000	31-01-036232
Cc1cc(C)c(c(c1)C)CNCc1nnc2n1CCOCC2	MCULE-2780787533,EMOLS-id_318482161	300.399	VQOQBZUBSAQNFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036233
Cc1cc(C)c(cc1CNCc1nnc2n1CCOCC2)C	MCULE-8487953066,EMOLS-id_318554743	300.399	KZFZPZPVPPCIEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036234
Cc1cccc(n1)CCN1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99975859	300.399	QSCYFOJDQMJOCO-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036235
Cc1cccc(n1)CCN1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99975863	300.399	QSCYFOJDQMJOCO-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036236
Cc1ccc(CNC[C@H]2COCc3c(C)nnn3C2)cc1C	PC-id_97469446,ZINC22_96199375	300.399	DEXLXBWFNWCSSM-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036237
Cc1ccc(CNC[C@@H]2COCc3c(C)nnn3C2)cc1C	PC-id_97469447,ZINC22_96199376	300.399	DEXLXBWFNWCSSM-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036238
CC1=CC[C@H]2CN(C(=O)c3nnc4n3CCCCC4)C[C@H]2C1	ZINC22_1074596826	300.399	HZGLLHDCBSPYCI-UONOGXRCSA-N	00000010100011000101000000000110000000000000000000000000	31-01-036239
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn(c1C)C(C)C	EMOLS-id_318895176	300.399	YZPCTSGTJHMJEE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-036240
Cc1nnn2CC(CNCc3ccc(C)c(C)c3)COCc12	EMOLS-id_44332631	300.399	DEXLXBWFNWCSSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036241
CC(c1ccc(c(c1)C)C)NCc1nnc2n1CCOCC2	MCULE-9565074535,EMOLS-id_320297422	300.399	YPMRPUZAIGOBHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036242
CCc1ccc(CN2CCCn3nc(cc3C2)C(C)O)nc1	MCULE-3238174578,PC-id_90647752,EMOLS-id_50527353	300.399	VHSVQZVPLHVUQO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036243
CCc1ccc(CNCC2COCc3c(C)nnn3C2)cc1	EMOLS-id_44332633	300.399	FSQMYCWRQBLAIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036244
CCc1ccc(CNC[C@@H]2COCc3c(C)nnn3C2)cc1	PC-id_97469449,ZINC22_96199378	300.399	FSQMYCWRQBLAIU-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036245
CCc1ccc(CNC[C@H]2COCc3c(C)nnn3C2)cc1	ZINC22_96199377,PC-id_97469448	300.399	FSQMYCWRQBLAIU-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036246
CCc1ccc(nc1)CN1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_100016005	300.399	VHSVQZVPLHVUQO-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036247
CCc1ccc(nc1)CN1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_100016009	300.399	VHSVQZVPLHVUQO-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036248
CC(Cc1c[nH]c(c1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_318568203	300.399	HPBUYUXBQCISTE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-036249
CC(CN(c1ccccc1)Cc1nnc2n1CCCCC2)O	MCULE-5410873311,EMOLS-id_53754884,PC-id_119032503	300.399	YOPFQONRLIEWJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036250
CCCOc1ccccc1NCc1nnc2n1CCCCC2	EMOLS-id_318206471	300.399	DCOCSMLYWKUOQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036251
CC(C)OCc1ncn2c1CN(Cc1ccccn1)CCC2	ZINC22_96259947,EMOLS-id_44371430,PC-id_97520027	300.399	NBWZCSWKUJEZGB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036252
CC(C)OCc1ncn2c1CN(Cc1ccncc1)CCC2	EMOLS-id_46148393,ZINC22_96059051,PC-id_97381704	300.399	KWAGPKVEWVOZIY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036253
C[C@@H](O)CN(Cc1nnc2n1CCCCC2)c1ccccc1	PC-id_100670374,ZINC22_225536880	300.399	YOPFQONRLIEWJH-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036254
C[C@H](O)CN(Cc1nnc2n1CCCCC2)c1ccccc1	ZINC22_225536851,PC-id_100670364	300.399	YOPFQONRLIEWJH-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036255
CCn1c(C)cc(c1C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319190619	300.399	KFVJGQGRNLNZSN-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-036256
CC(O)c1cc2CN(CCc3cccc(C)n3)CCCn2n1	EMOLS-id_55656830,MCULE-1052775898,PC-id_91778984	300.399	QSCYFOJDQMJOCO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036257
CCOc1cc(C)ccc1NCc1nnc2n1CCCCC2	EMOLS-id_318046004	300.399	YECTWWJUXTWMKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036258
CCOc1cncc(CN2Cc3c[nH]nc3CC(C)(C)C2)c1	PC-id_139020797,EMOLS-id_320374886,MCULE-1170791969,ZINC22_621732886	300.399	XCWGAMUJDPSFJZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036259
CCOCC1CCn2nccc2CN1Cc1ncccc1C	EMOLS-id_313821731	300.399	DZNQVAOAPOUUJN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036260
CCOC[C@@H]1CCn2nccc2CN1Cc1ncccc1C	ZINC22_585096884	300.399	DZNQVAOAPOUUJN-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036261
CCOC[C@H]1CCn2nccc2CN1Cc1ncccc1C	ZINC22_585096890	300.399	DZNQVAOAPOUUJN-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036262
Cn1ncc2c1CC(C)(C)CN(CCn1ccccc1=O)C2	PC-id_139020625,EMOLS-id_320367716,MCULE-3684681621,ZINC22_664873448	300.399	DFKQTHPFDUUAJD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036263
COc1c(C)ccc(c1C)NCc1nnc2n1CCCCC2	MCULE-5034132127,EMOLS-id_318242065	300.399	SANAHLDNJZMXFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036264
COc1cc(NCc2nnc3n2CCCCC3)c(cc1C)C	MCULE-1183581854,EMOLS-id_318225723	300.399	XMWMUAAMBIZYSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036265
COc1nc(C)cc(c1CN1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319421788	300.399	UJUXPFOHMFVCHI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036266
OCc1cccc(c1)C(NCc1nnc2n1CCCCC2)C	PC-id_109877280	300.399	IWPYHOOLSGGACJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036267
c12CN(CCCn1nc(CNc1ncccn1)c2)CC(C)C	EMOLS-id_44428967,PC-id_70720495,MCULE-5364849614,ZINC22_82097624	300.402	YHKUNJCLFYDFJF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036268
C1CCn2c(CC1)nnc2CCNC1CCCn2c1ccn2	EMOLS-id_318175850,MCULE-6286105978	300.402	QADUUIDMJWGYBH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036269
C1CCn2c(CC1)nnc2CN1CCCCC1c1cc[nH]n1	EMOLS-id_317926860	300.402	WCAWYFOJIXGKMJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-036270
C1CCn2c(CC1)nnc2CN1CCCC(C1)c1[nH]ccn1	EMOLS-id_111706401	300.402	WSRPKIICVUXLJU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-036271
C1CCn2c(CC1)nnc2CN1CCC(CC1)n1ccnc1	EMOLS-id_110869056	300.402	KHQPUGCOIXGYLJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-036272
Cc1cccc(CN2CCc3nnc(CN(C)C)n3CC2)n1	ZINC22_96259864,EMOLS-id_44371268,PC-id_97519945	300.402	CXDUUMMPDGFDKZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036273
Cc1ccc(NCc2cnc3n2CCN(C(C)C)CC3)nn1	ZINC22_96197134,EMOLS-id_44329189,PC-id_97467276	300.402	DLQZJWPIGPACRL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036274
CC1CCN(CC1)C(=C(C#N)c1nnc2n1CCCCC2)N	EMOLS-id_49967162,PC-id_86803237,MCULE-9359889881	300.402	RCKAXTJBANFRNC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-036275
CC1CCN(CC1)C(=N)/C(=C/1NN=C2N1CCCCC2)/C#N	PC-id_136413314	300.402	YKNHZZVOIYFZHF-GDZBGKALSA-N	00000011000010000111000000000010000000000000000000000000	31-01-036276
CC1CCN(CC1)C(=N)C(=C1NN=C2N1CCCCC2)C#N	PC-id_136785605	300.402	YKNHZZVOIYFZHF-UHFFFAOYSA-N	00000011000010000111000000000010000000000000000000000000	31-01-036277
CC1CN(Cc2nnc3n2CCCCC3)Cc2c(C1)[nH]nc2	PC-id_146103223,MCULE-8231525314,EMOLS-id_319853357	300.402	AAHMLARLQAYEBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036278
Cc1ncc(c(n1)C)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318000946,MCULE-4323619100	300.402	NBPCKMYUWYPTIN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036279
Cc1ncc(c(n1)C)CNCCc1nnc2n1CCCCC2	MCULE-1371065726,EMOLS-id_319996439	300.402	OEZMCZXYKYXQKS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036280
Cc1nc(NCc2cnc3n2CCCCC3)nc(c1)N(C)C	EMOLS-id_318565768,MCULE-6031844919	300.402	MXGOXRYLMCPNJD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036281
CC(c1ccnc(n1)NCc1nnc2n1CCCCC2)(C)C	MCULE-7500352617,EMOLS-id_318650346	300.402	LSJKMYREFKBATI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036282
CC(c1nccc(n1)NCc1nnc2n1CCCCC2)(C)C	MCULE-1744608565,EMOLS-id_318131417	300.402	OVPWVUOYQPFFDG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036283
CC(c1ncnc(c1)NCc1nnc2n1CCCCC2)(C)C	EMOLS-id_318026462,MCULE-8866134493	300.402	YOCVTSOXIPLZQC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036284
CCC(c1nnc2n1CCCCC2)NC(c1nccnc1)C	EMOLS-id_318365701	300.402	BWRYDQBWLOSTOO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036285
CC(C)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_306134201	300.402	NFPSCWUMYQAPKO-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036286
CC(C)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_306134202	300.402	NFPSCWUMYQAPKO-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036287
CC(C)N1CC(CCNc2ncccn2)Cn2nccc2C1	EMOLS-id_50374529	300.402	NFPSCWUMYQAPKO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036288
C[C@@H]1Cc2n[nH]cc2CN(Cc2nnc3n2CCCCC3)C1	ZINC22_1413052540	300.402	AAHMLARLQAYEBY-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036289
C[C@H]1Cc2n[nH]cc2CN(Cc2nnc3n2CCCCC3)C1	ZINC22_1413052555	300.402	AAHMLARLQAYEBY-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036290
Cn1cc2c(n1)CCCC2NCc1nnc2n1CCCCC2	EMOLS-id_318346496,MCULE-5511505864	300.402	RYRUGNCWQOSYEW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036291
Cn1ccnc1C1CCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_316881743,MCULE-2126731523	300.402	AZTXGTIUPHSXSZ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-036292
Cn1ccnc1[C@H]1CCN(Cc2nnc3n2CCCCC3)C1	PC-id_164634893,ZINC22_562477079	300.402	AZTXGTIUPHSXSZ-ZDUSSCGKSA-N	00000010100000000101100000000010000000000000000000000000	31-01-036293
Cn1ccnc1[C@@H]1CCN(Cc2nnc3n2CCCCC3)C1	ZINC22_562477078	300.402	AZTXGTIUPHSXSZ-CYBMUJFWSA-N	00000010100000000101100000000010000000000000000000000000	31-01-036294
Cn1ncc2c1CCCC2NCc1nnc2n1CCCCC2	MCULE-6499374503,EMOLS-id_317983956	300.402	ZAYSCENVTLQYFV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036295
Cn1ncc2c1CCCN(C2)Cc1nnc2n1CCCCC2	EMOLS-id_101742787	300.402	STRTUBRCJDAXRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036296
n1(nc(c2N=C(C(C)(C)C)CN=C(NC#N)c12)C(C)C)CC	PC-id_22281595,SCHEMBL5414778	300.402	LMTQRQNCXIHUAR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-036297
N(Cc1n[nH]c2c1CCC2)(Cc1nn2c(CNCCC2)c1)C	PC-id_56899831	300.402	NIVHKGYTSDCSTM-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-036298
CC(C)C(c1ccc(cc1)F)c1n[nH]c2c1CCCCCC2	PC-id_91264567	300.414	LRHGSTHAUKKEMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036299
CCOc1ccccc1C(=O)c1cc2c(s1)CCCCC2	PC-id_114971158	300.415	XKDVHNBOEGFKRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036300
CCOc1cccc(c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_115791319	300.415	TUDGJPPMIYBOMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036301
COc1ccc(c(c1)C)C(=O)c1cc2c(s1)CCCCC2	PC-id_114965527	300.415	IXDNEMZNXMKQNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036302
OC(c1cccc2c1OCC2)c1cc2c(s1)CCCCC2	PC-id_115838929	300.415	ZNBHDWMQNOOSKD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-036303
s1c2c(CCCCC2)cc1C(O)c1cc2CCOc2cc1	PC-id_61099927	300.415	NZGWPRSBWRMQMI-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-036304
s1c2c(CCCCC2)cc1C(O)c1cc2c(COC2)cc1	PC-id_63019554	300.415	LTPIUZJPKGZBAG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-036305
s1c2CCCCCc2cc1C(=O)c1cc(c(OC)cc1)C	PC-id_43463869	300.415	HECQRCRXQMPPIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036306
s1c2CCCCCc2cc1C(=O)c1ccc(OCC)cc1	PC-id_43462884	300.415	WRDWDQXKHVIDJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036307
s1c2CCCCCc2cc1C(=O)c1c(OC)ccc(c1)C	PC-id_43626040	300.415	GGMLINDHBMWUGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036308
s1c2CCCCCc2cc1C(=O)Cc1ccc(OC)cc1	PC-id_63528902	300.415	ZSOKGBATJHLYFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036309
s1c2CCCCCc2cc1C(=O)Cc1cc(OC)ccc1	PC-id_63528035	300.415	WVOMUHMQSBVAGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036310
s1c2CCCCCc2cc1C(=O)Cc1c(OC)cccc1	PC-id_63528209	300.415	YPMIBGLTWPWZOT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036311
S(CCc1c2-c(c(c1)C(=O)O)ccccc2)CCCC=C	PC-id_85570872	300.415	KPFICXYEHYDTLU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036312
c1(c2CCCCCc2sc1N)C(=O)Nc1ccc(cc1)C	CoCoCo_138047,EMOLS-id_1280374,MCULE-8027642620,PC-id_785626,ZINC22_282372	300.418	SCABOVJIFOILBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036313
c1(c2CCCCCc2sc1N)C(=O)Nc1ccccc1C	ZINC22_130309,CoCoCo_138056,BAS-00832079,MCULE-8279527873,CB5764028,EMOLS-id_1280376,ChEMBL-DNDi_CHEMBL3261-0729,PC-id_724229	300.418	NQWPDVFOGPFAKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036314
c1(c2CCCCCc2sc1N)C(=O)Nc1cccc(C)c1	ZINC22_2573416,EMOLS-id_3785192,TIMTEC61273,PC-id_17385676,MCULE-5050139654,CoCoCo_6805121	300.418	ASHWMIIMDDBZNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036315
c1(c2CCCCCCc2sc1N)C(=O)Nc1ccccc1	ZINC22_2558512,MCULE-3984778468,CoCoCo_6805067,TIMTEC140683,PC-id_17371233,EMOLS-id_3785204	300.418	FCPXNZXKVCSZFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036316
c1(NC(=O)Cc2ccc(cc2)C)sc2c(CCCCC2)n1	MCULE-2608819858,PC-id_46696462,EMOLS-id_323424305	300.418	ZBXNNKRGSWVEJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036317
c1(NC(=O)Cc2cccc(C)c2)sc2c(CCCCC2)n1	MCULE-4344754826,EMOLS-id_323422513	300.418	DCQPAKFBPNLENW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036318
Cc1ccc(cc1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319046373	300.418	NQTIHMNPFSAQSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036319
Cc1ccc(c(c1)C)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319069558	300.418	HCPKRLGMOZYGSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036320
Cc1cccc(c1)CC(=O)N1CCCCc2c1sc(n2)C	MCULE-2745053799,EMOLS-id_320144678	300.418	LTCMPGKUDOGYRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036321
Cc1ccc(c(c1)C(=O)N1CCCCc2c1sc(n2)C)C	MCULE-4816839638,EMOLS-id_320252816	300.418	XQLIJUQKSVKKQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036322
Cc1ccc(c(c1)NC(=O)c1cc2c(s1)CCCCC2)N	PC-id_115912189	300.418	LSMVSGLYCZLARH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036323
Cc1cccc(NC(=O)c2cc3c(s2)CCCCCC3)n1	ZINC22_12537857,EMOLS-id_43900935,CoCoCo_3828124,PC-id_25344105,MCULE-8142465174	300.418	HEHQGDHDOMWZCB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036324
Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)c(C)c1	ZINC22_12828559,EMOLS-id_16720230,MCULE-1534274952,PC-id_17515162,CoCoCo_4546080	300.418	ZXTYCBGOGTZMGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036325
Cc1cccnc1NC(=O)c1cc2c(s1)CCCCCC2	PC-id_25516306,MCULE-3695565327,EMOLS-id_18839926,ZINC22_12793383,CoCoCo_3827698	300.418	AHELTZKYBFVWAU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036326
Cc1sc2c(n1)CCCCN2C(=O)c1ccc(c(c1)C)C	EMOLS-id_319470638	300.418	IELHHKPMMALMPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036327
Cc1sc2c(n1)CCCCN2C(=O)c1cccc(c1C)C	MCULE-6457758977,EMOLS-id_320047853	300.418	CUQUZMTVSRUYNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036328
CN(Cc1cccnc1)C(=O)c1cc2c(s1)CCCCC2	PC-id_78771041,MCULE-6882138077,ZINC22_49945447,EMOLS-id_50288984	300.418	NBCSMIZACZXWPM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036329
COc1ccc(cc1C)/C=C/c1sc2c(n1)CCCCN2	SCHEMBL8313688,PC-id_15069499	300.418	ZEHJQOQWEYEYKN-VQHVLOKHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036330
N#Cc1c(NC(=O)C2CC=CC2)sc2c1CCCCCC2	EMOLS-id_111120701	300.418	WVFWSPOXUOCJHK-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-036331
O=C(c1sc2c(c1)CCCCCC2)Nc1ccccc1N	PC-id_119422135	300.418	RYIZKLPQEFFGGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036332
O=C(N1CCCCc2c1ccs2)c1ccc(c(c1C)C)N	PC-id_69756770,SCHEMBL6371405	300.418	OGYBZAIHSOBWGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036333
O=C(N1CCCCc2c1sc(n2)C)[C@H](c1ccccc1)C	EMOLS-id_318893982	300.418	PKUVLRPODBLNJF-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036334
s1c2CCCCCc2cc1C(=O)Nc1cc(ccc1)CN	PC-id_63254770	300.418	UVHJWKJCERGTSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036335
s1c2CCCCCc2cc1C(=O)Nc1c(cccc1N)C	PC-id_43152271	300.418	SEBYYOBUMYWSDR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036336
s1c2CCCCCc2cc1C(=O)Nc1c(ccc(N)c1)C	PC-id_28388271	300.418	LPFJPPPLNZXKRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036337
s1c2CCCCCc2cc1C(=O)Nc1c(cc(N)cc1)C	PC-id_28388275	300.418	JSGIDPRJIKHERB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036338
s1c2CCCCCc2cc1C(=O)N(c1ccc(N)cc1)C	PC-id_28893982	300.418	OHWPWVILWCWKQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036339
s1c2CCCCCc2cc1C(=O)Nc1cc(c(N)cc1)C	PC-id_61710206	300.418	AHTWVJFMGDLFRC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036340
s1c2CCCCCc2cc1C(=O)Nc1c(c(N)ccc1)C	PC-id_28388284	300.418	FLEVZARQALNEQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036341
s1c2CCCCCc2cc1C(=O)Nc1cc(N)c(cc1)C	PC-id_28388286	300.418	PRIDJVWPJPIKQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036342
s1c2CCCCCc2cc1C(=O)N(c1cc(N)ccc1)C	PC-id_61297681	300.418	IMUPKNNFRGEHJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036343
s1c2CCCCCc2cc1C(=O)Nc1c(CN)cccc1	PC-id_64894660	300.418	OZAKBHSQLTWJND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036344
s1c2CCCCCc2cc1C(=O)Nc1c(N)cc(cc1)C	PC-id_43259022	300.418	XNRBYAZWKZHKKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036345
s1c2CCCCCc2cc1C(=O)N(c1c(N)cccc1)C	PC-id_61995519	300.418	VHTKXJFDAORHNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036346
s1c2CCCCCc2cc1C(=O)NC(c1cccnc1)C	PC-id_51222046	300.418	LPILLMOWNSDSPZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036347
s1c2CCCCCc2cc1C(=O)NCc1ccc(N)cc1	PC-id_60891254	300.418	BWXOFJDQVUSAAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036348
s1c2CCCCCc2cc1C(=O)NCc1cc(N)ccc1	PC-id_62499953	300.418	KPKVCLDDBMBFLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036349
s1c2CCCCCc2cc1C(=O)NCc1c(N)cccc1	PC-id_61997269	300.418	SYJZTCHXPOFMNW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036350
s1c2CCCCCc2cc1C(=O)NCCc1ncccc1	PC-id_29352853	300.418	XQPBUIWVFBUVRS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036351
s1c2CCCCCc2cc1C(=O)NN(c1ccccc1)C	PC-id_9479764	300.418	XWJMYCWIJGBCTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036352
s1c2CCCCCc2nc1NC(=O)Cc1c(cccc1)C	PC-id_46699275	300.418	SSWUXOYUJJPPAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036353
s1c2CCCCCCc2cc1C(=O)Nc1nccc(c1)C	PC-id_35027254	300.418	GNYOPVYIQYFIAM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036354
s1c2CCCCCCc2cc1C(=O)NNc1ccccc1	PC-id_78774570	300.418	ZWQAQCFENAMNEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036355
s1c2CCCCCCc2nc1NC(=O)c1c(cccc1)C	PC-id_56022102	300.418	BHAFDXPDGCRJDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036356
s1c2CCCCCCc2nc1NC(=O)Cc1ccccc1	PC-id_56022113	300.418	JDZUYUUWHDECQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036357
s1c2NCCCCc2nc1C=Cc1cc(c(OC)cc1)C	PC-id_54542610	300.418	ZEHJQOQWEYEYKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036358
s1c2NCCCCc2nc1C=Cc1ccc(OCC)cc1	PC-id_53714936	300.418	CDCBAUIQIJMACS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036359
s1c2NCCCCc2nc1C=Cc1c(OC)c(ccc1)C	PC-id_54305164	300.418	SGZFKGOOQPVXCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036360
c1(C(=O)NCc2ccccc2)c2CCCCCc2sc1N	MCULE-5777261197,EMOLS-id_29550180,TIMTEC172845,SCHEMBL14829398,PC-id_4511558,CoCoCo_6620648,ZINC22_6885180	300.419	GMNBFHFRZUGTDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036361
c1(C(=O)NCc2ccccn2)cc2c(CCCCCC2)s1	MCULE-3708377706,EMOLS-id_2497251,ZINC22_8073157,TIMTEC337347,PC-id_9206057,CoCoCo_542333	300.419	NNZPPWHKRKAVKL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036362
c1(C(=O)NCc2cccnc2)cc2c(CCCCCC2)s1	TIMTEC423415,EMOLS-id_3685441,PC-id_9291852,CoCoCo_1068311,MCULE-1748584695,ZINC22_8156544	300.419	RFXXRKNMVUPYQM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036363
c1(C(=O)NCc2ccncc2)cc2c(CCCCCC2)s1	MCULE-4540943203,CoCoCo_1074567,PC-id_17540637,EMOLS-id_16623575,ZINC22_12608249,TIMTEC365202	300.419	OTDLUNAODVIPMI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036364
c1(NC2=CC(=O)CCC2)sc2c(CCCCCC2)c1C#N	TIMTEC450059,GD-id_ZINC04625248,PC-id_4917610,MCULE-8905974102,ZINC22_4625248,EMOLS-id_6805736	300.419	SJTAZRDIBWXXOL-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-036365
Cc1ccc(cc1)C(C(=O)N1CCCc2c(C1)ccs2)N	MCULE-5521568914,EMOLS-id_318106090	300.419	LQCNHYGREMIFRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036366
Cc1ccc(cc1C)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_16746054,CoCoCo_4546085,MCULE-2489843555,ZINC22_12756829,PC-id_17524153	300.419	UJYCHDHRIJPIEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036367
Cc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)nc1	CoCoCo_3828317,CHEMBL4553095,ZINC22_27640420,MCULE-2703076391,EMOLS-id_23973271,PC-id_35022206	300.419	VDIIFLAGXZAIEL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036368
CCc1ccccc1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319071404	300.419	XXFLBPFUPOQFOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036369
C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccn1	PC-id_9108442,ZINC22_7980286,CoCoCo_3228782	300.419	IFROPFSXUPGFSY-LBPRGKRZSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036370
C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccn1	ZINC22_7980290,PC-id_9108446,CoCoCo_3228781	300.419	IFROPFSXUPGFSY-GFCCVEGCSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036371
C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccncc1	ZINC22_5636231,CoCoCo_3253115,PC-id_40551882	300.419	BBWYRQRAVGZNLB-LBPRGKRZSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036372
C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccncc1	ZINC22_5636235,CoCoCo_3253116,PC-id_40551884	300.419	BBWYRQRAVGZNLB-GFCCVEGCSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036373
CCOc1ccc(cc1)/C=C/c1nc2c(s1)NCCCC2	SCHEMBL8316303,PC-id_15069487	300.419	CDCBAUIQIJMACS-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036374
CNC(=O)c1ccc(cc1)CN1CCCc2c(C1)ccs2	EMOLS-id_318172131	300.419	SJCOOCWVTCLMCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036375
CNC(=O)c1cccc(c1)CN1CCCc2c(C1)ccs2	EMOLS-id_318660183	300.419	REPPAQQYGIGUCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036376
COc1c(cccc1C)/C=C/c1nc2c(s1)NCCCC2	SCHEMBL8312878,PC-id_15069505	300.419	SGZFKGOOQPVXCY-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036377
n1(c(=N)sc2c1CCCCC2)CC(=O)c1ccc(cc1)C	PC-id_11545393,CHEMBL1188984	300.419	DISZWXWTLIAIPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036378
NCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	SCHEMBL4835299,PC-id_21083264	300.419	UOEOMVPVCOOZRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036379
NCc1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	MCULE-8321425945,PC-id_120407924,EMOLS-id_302707954	300.419	VIWSRKXWVSKBOP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036380
NCCc1ccc(cc1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318678669	300.419	ZUTWLUHPXGMFMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036381
O=C(c1cc2c(s1)CCCCC2)NC(c1ccccn1)C	PC-id_16281634,EMOLS-id_3655198,MCULE-2781206066	300.419	IFROPFSXUPGFSY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036382
O=C(c1cc2c(s1)CCCCC2)NC(c1ccncc1)C	EMOLS-id_43822791,MCULE-2265453095,PC-id_16330041	300.419	BBWYRQRAVGZNLB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036383
OC(c1cnc2n1C(=C)CCCS2)CCc1ccccc1	PC-id_141834878	300.419	HQZVBSBDFABUNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036384
O=C(C(c1ccccc1C)N)N1CCCc2c(C1)ccs2	EMOLS-id_318332866,MCULE-6755828301	300.419	OUFKSPWUALNJSG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036385
O=C(CCc1ccccc1)Nc1nc2CCCCCc2s1	PC-id_40120735,CoCoCo_4546041,ZINC22_32885723,MCULE-3602361463,EMOLS-id_44037996	300.419	WPVLSBFGAVZCMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036386
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S(CC(=O)c1c2n(nc1C)CCCCC2)c1ccccc1	PC-id_53670049	300.419	AZHNPVPWCALYGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036389
CC1CN(CCCS(=O)(=O)N(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319107949	300.42	YQRJKDFFVKPTHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036390
CC(C)(C)CS(=O)(=O)NCc1nnc2n1CCCCC2	EMOLS-id_316928580,ZINC22_583910715,MCULE-7434386917	300.42	OVFXBARUPYNDBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036391
CCCCN(S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_318892384	300.42	LLLVATMFXMDTCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036392
CC(CN(S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)C)C	EMOLS-id_318980214	300.42	IVLDWTXBUQMTSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036393
CCCS(=O)(=O)N1CCc2ncc(CN(C)C)n2CC1	PC-id_97390182,EMOLS-id_46161789,ZINC22_96067876	300.42	BJJLEQGBEVZGIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036394
CCCS(=O)(=O)N1CC(CN(C)C)Cn2c(C1)ncc2	PC-id_118743097	300.42	GKRDWRGBQZZIGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036395
CN(CCCS(=O)(=O)N1CCCc2c(C1)cnn2C)C	MCULE-9056125937,EMOLS-id_316472685	300.42	QIPYVMHIVRRHNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036396
COCCNCC(CSc1nnc2n1CCCCC2)O	PC-id_115476244	300.42	SUAHUNAAEZRRGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036397
S(=O)(=O)(CC(NC(c1n2CCCCCc2nn1)C)C)C	PC-id_64630351	300.42	PFOQYYJRDIWOED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036398
Cc1ccc(cn1)/C=C/CN1CCc2c(CC1)nc(s2)N	PC-id_19985836,SCHEMBL7295439	300.422	PBDNYLGHDYSDCF-NSCUHMNNSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036399
Cc1cccc(n1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7282989	300.422	YFKKWHOFWDOQQV-ZZXKWVIFSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036400
Cc1cccc(n1)C=CCN1CCc2c(CC1)sc(n2)N	PC-id_88123556	300.422	YFKKWHOFWDOQQV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036401
Cc1ccc(nc1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7286428,PC-id_19985840	300.422	SCBBEICGFOXNQZ-NSCUHMNNSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036402
Cc1ccnc(c1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7284182	300.422	AXPUITXUBUCYKA-NSCUHMNNSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036403
Cc1cc(ncc1)C=CCN1CCc2c(CC1)sc(n2)N	PC-id_88123657	300.422	AXPUITXUBUCYKA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036404
Nc1ccc(cc1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7292466,PC-id_19985933	300.422	QBLOBAILDAKDJL-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036405
Nc1nc2c(s1)CCN(CC2)CC1CC1c1ccccn1	PC-id_19985944,SCHEMBL7285738	300.422	GDBBAWOZBQVBSQ-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-036406
Nc1nc2c(s1)CCN(CC2)CC1CC1c1cccnc1	PC-id_19985962,SCHEMBL7285128	300.422	MXSCOGXHZWSHSL-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-036407
Nc1nc2c(s1)CCN(CC2)CC1CC1c1ccncc1	SCHEMBL7284107,PC-id_19985772	300.422	ASNDZBUBJXIXND-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-036408
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1N	SCHEMBL7283819,PC-id_19985906	300.422	RCXPUXKAJXBDKZ-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036409
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ncccc1C	SCHEMBL7294650,PC-id_19985768	300.422	ZMUUVSJOFBVEQT-HWKANZROSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036410
s1c2CCN(CCc2nc1N)CC=Cc1ccc(nc1)C	PC-id_54180039	300.422	PBDNYLGHDYSDCF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036411
s1c2CCN(CCc2nc1N)CC=Cc1ccc(N)cc1	PC-id_54219363	300.422	QBLOBAILDAKDJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036412
s1c2CCN(CCc2nc1N)CC=Cc1cc(N)ccc1	PC-id_57229779	300.422	LDGDUFLYHBSQPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036413
s1c2CCN(CCc2nc1N)CC=Cc1c(N)cccc1	PC-id_54260143	300.422	RCXPUXKAJXBDKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036414
s1c2CCN(CCc2nc1N)CC=Cc1ncc(cc1)C	PC-id_54297882	300.422	SCBBEICGFOXNQZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036415
s1c2CCN(CCc2nc1N)CC=Cc1ncccc1C	PC-id_54555387	300.422	ZMUUVSJOFBVEQT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036416
s1c2n(cc(n2)Cn2cc3C(NC)CCCCc3c2)cc1	PC-id_83211314	300.422	HXFCLEFYWAFJJP-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-036417
S(C1C(N)c2c(C1)cccc2)c1n2CCCCCc2nn1	PC-id_64648915	300.422	QUOOVOJHPDPHLW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-036418
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C/C/1=C/CC[C@H](C)C(=O)CC/C(=Cc2c(CC1)c(C)co2)/C	PC-id_102213770	300.435	ZHKLHTSGHINWKE-PSCCJJONSA-N	00000000100000000110000000000010000000000000000000000000	31-01-036420
o1c2c(CCC(=CCCC(C(=O)CCC(=C2)C)C)C)c(c1)C	PC-id_74349135	300.435	ZHKLHTSGHINWKE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-036421
o1c2c(CC/C(=C/CC[C@H](C(=O)CC/C(=C/2)/C)C)/C)c(c1)C	PC-id_24899649	300.435	ZHKLHTSGHINWKE-QLRPHZEWSA-N	00000000100000000110000000000010000000000000000000000000	31-01-036422
O=C(c1cc2c(s1)CCCCC2)CCCS(=O)(=O)C	PC-id_114965106	300.437	FSPWAYHWRPBSJG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-036426
COCCCn1cc(c2=C(C=CC=CC=c12)CC(C)C)CN	PC-id_145529463	300.438	UBMSQQFSOJRVND-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-036427
N#C/C(=C(c1cc2c(s1)CCCCC2)/N)/c1cccs1	PC-id_104012132	300.442	FWVOUXPAICNBTE-VBKFSLOCSA-N	00000000100100000100000000000010000000000000000000000000	31-01-036428
Cc1cc(C)c(cc1C(c1cc2c(s1)CCCCC2)O)C	PC-id_115807056	300.458	YSKUUEISGFQXHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036429
Cc1cc(C)cc(c1)CC(c1cc2c(s1)CCCCC2)O	PC-id_114980350	300.458	QHFJJWDDKSXIEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036430
CCc1ccc(cc1)CC(c1cc2c(s1)CCCCC2)O	PC-id_114980859	300.458	KCDWSMFGIFBIPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036431
CCCc1cccc(c1)C(c1cc2c(s1)CCCCC2)O	PC-id_115838105	300.458	KTSDJSXVHGBYHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036432
OC(c1cc2c(s1)CCCCC2)Cc1c(C)cccc1C	PC-id_115828459	300.458	BLDRXLZFVUPIMP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036433
OC(c1cc2c(s1)CCCCC2)CCCc1ccccc1	PC-id_115791183	300.458	WECMYXDPLLYZEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036434
s1c2c(CCCCC2)cc1C(O)c1c(cc(cc1C)C)C	PC-id_63426245	300.458	OJCVXELZOFNKJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036435
s1c2c(CCCCC2)cc1C(O)c1ccc(CCC)cc1	PC-id_63426542	300.458	VGMMDFREJBXRMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036436
s1c2c(CCCCC2)cc1C(O)c1ccc(C(C)C)cc1	PC-id_63426651	300.458	AYGGLHJCJNAVBE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036437
s1c2c(CCCCC2)cc1C(O)Cc1c(ccc(c1)C)C	PC-id_63518440	300.458	XTIZPFARPRSGMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036438
s1c2c(CCCCC2)cc1C(O)Cc1cc(c(cc1)C)C	PC-id_63519643	300.458	DUOYLFIWWUZZCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036439
S(c1oc(c2CCCCCc12)CCCC)c1ccccc1	PC-id_13780470	300.458	BSAWSXJEJCRRDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036440
CCc1ccc(cc1)C(c1cc2c(s1)CCCCC2)NN	PC-id_105292791	300.462	XGHBDTCAMHOGBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036441
CCc1cccc(c1)C(c1cc2c(s1)CCCCC2)NN	PC-id_105326209	300.462	MDLHBVWALXSPCF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036442
CCc1ccc(nc1)CC(c1cc2c(s1)CCCCC2)N	PC-id_105014783	300.462	QIHOSGUUMFLUBQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036443
C/C(=CC=C(C(=C)N1Cc2cccn2CC(=C1C)C)/C)/S	PC-id_141905135	300.462	MMTCQTDBABINPX-TVXJZBATSA-N	00000000100000000111000000000010000000000000000000000000	31-01-036444
CCCNC(c1cc2c(s1)CCCCC2)c1cccnc1	PC-id_115799233	300.462	AJVAJZYGCSLTNJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036445
CCNC(c1cc2c(s1)CCCCC2)c1ccc(nc1)C	PC-id_115854508	300.462	FRTRWLKWGPYMDU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036446
CCNC(c1cc2c(s1)CCCCC2)Cc1cccnc1	PC-id_105034408	300.462	YYYOJCOGDHKOFP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036447
CCNC(c1cnccc1C)c1cc2c(s1)CCCCC2	PC-id_105006268	300.462	QJPKRJLGFPQLME-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036448
CCNC(c1cncc(c1)C)c1cc2c(s1)CCCCC2	PC-id_105022776	300.462	LKNWWUURCLORIM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036449
NNC(c1cc2c(s1)CCCCC2)Cc1ccc(cc1)C	PC-id_105284180	300.462	ZJHZHNMBLWZEEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036450
NNC(c1cc2c(s1)CCCCC2)Cc1cccc(c1)C	PC-id_105284982	300.462	GBRXHMTWRKXOBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036451
NNC(c1cc2c(s1)CCCCC2)Cc1ccccc1C	PC-id_105285139	300.462	SWYKFOUDLHJDHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036452
NNC(c1cc2c(s1)CCCCC2)CCc1ccccc1	PC-id_105285812	300.462	YUGFDZKOWZCJFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036453
NNC(c1ccc(c(c1)C)C)c1cc2c(s1)CCCCC2	PC-id_105300145	300.462	QOTUGEIDHLRYPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036454
NNC(c1cccc(c1C)C)c1cc2c(s1)CCCCC2	PC-id_105300459	300.462	BNKASOMRLJCXEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036455
NNC(c1ccc(cc1C)C)c1cc2c(s1)CCCCC2	PC-id_105304595	300.462	SVQZMRZJXALDKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036456
NNC(c1cc(C)cc(c1)C)c1cc2c(s1)CCCCC2	PC-id_105286654	300.462	QOOKTOOEPIHADF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036457
NNC(c1cc(C)ccc1C)c1cc2c(s1)CCCCC2	PC-id_105292458	300.462	ZLUBJJCFPBPKIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036458
s1c2c(CCCCC2)cc1C(NC)C(c1ccncc1)C	PC-id_66448710	300.462	QMGBXGWEJCDUJL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036459
s1c2c(CCCCC2)cc1C(NC)Cc1ncc(cc1)C	PC-id_66446345	300.462	KAAUPDQVVSTNQS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036460
s1c2c(CCCCC2)cc1C(NC)Cc1ncccc1C	PC-id_66448232	300.462	JGIXAIDWBZPFHD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036461
s1c2c(CCCCC2)cc1C(NCC)Cc1ccncc1	PC-id_65581034	300.462	KMJJUASTUQCIEY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036462
s1c2c(CCCCC2)cc1C(NCC)Cc1ncccc1	PC-id_65580432	300.462	XYUJWWBIMLXWSJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036463
s1c2c(CCCCC2)cc1C(NC)C(C)c1ncccc1	PC-id_66446620	300.462	SSDRWXJYZJYFKI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036464
S(CCn1cc2C(NC)CCCCc2c1)c1ccccc1	PC-id_83209260	300.462	GJEQQJRSUOKALC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036465
c12SC/C(=C(/C#N)C#N)/CSc1sc(=S)s2	PC-id_4625089,MCULE-1930016320,SCHEMBL6037168,EMOLS-id_6763369,TIMTEC63150,CoCoCo_1944517	300.466	AUJNQVHMVZLGOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036466
CN(C1CCCCn2c(=S)sc(CCOC1)c2C)C	PC-id_101926075	300.483	KFZZWIJVIKZOAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036467
ClC1=CC(C#CC2CC=CC(=C2)F)C=c2c(=C1)[nH]c(n2)C	PC-id_143984739	300.758	FXIYXZOQFLLKEG-UHFFFAOYSA-N	00000000100011000111000000000010000000000000000000000000	31-01-036468
N#Cc1ccc(c(c1)Cl)Cn1cc2c(c1)CCCCC2O	PC-id_102669398	300.783	GTZFAWPBAINGNW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036469
N#Cc1ccc(c(c1)Cl)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318988757	300.786	FLJNNCUFZWBEQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036470
N#Cc1cc(ccc1Cl)NCc1cnc2n1CCCCC2	EMOLS-id_318514680,MCULE-4645128198	300.786	KPUZEVGRFPZFCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036471
N#Cc1cc(Cl)ccc1CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319976228,MCULE-6987892869	300.786	WTZCYQISVFASRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036472
c1(NC(=O)CCl)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_6803042,PC-id_5061099,TIMTEC503267,EMOLS-id_841935,MCULE-3737663961	300.804	VLDDWBDUAZTHOL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-036473
ClCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)N	PC-id_4412537	300.804	PRCXUQQGDNNVEN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-036474
Clc1sc(CSc2n3CCCCCc3nn2)cn1	PC-id_79765392	300.831	JXWULYMWVRTCRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036475
OC(=O)c1c(Cl)sc2c1CCCCCCCCCC2	PC-id_114748461	300.844	AQCDFFIKPKRTLR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-036476
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CCC1=CCI=C(C2=C1NC(=C2)C)C	PC-id_160553820	301.033	QYKNLDKYDVCPAZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-036478
I/C/1=C/NC(=C)/N=Cc2n(C1)cnn2	SCHEMBL18855938	301.087	HPFATFWVLPROTJ-PRMGESGCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-036479
CC1C=CC(C)(I)C=c2c(=C1)nn[nH]2	PC-id_142140949	301.127	SYQQAGPARPJEFL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-036480
[B]C1=CCC=C2C(=C1)NC(=N2)NC(=O)C3CC3C4=CC=CC=C4	PC-id_154483181	301.139	XAFUDMIFJFIFHN-UHFFFAOYSA-N	00100000100000110111100000000010000000000000000000000000	31-01-036481
C1C(C(=O)Nn2c(cc(n2)Br)N1)CC1COC1	SCHEMBL20525221,PC-id_137287932	301.14	KKJKUSBAGCDOIL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-036482
C1CN2C=CC=C2CN(C1=O)CC3=CC=CN3CCC(=O)O	PC-id_153917669	301.143	IYNHAKJBFBRGJC-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-036483
Cc1nn2CCCC(=O)N(c2c1)Cc1c(cc(cc1)OC)O	PC-id_163891406	301.143	QBVYCJBOBDFCPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036484
CC(C)N1C2=C(C(C(CCCC2)CC(=O)OC)(F)F)N=N1	PC-id_155054631	301.16	VQXOUFYBCSZEDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036485
CC(C)NC1=NC2=C(S1)CCN(CC2)CC3=CC=CC=C3	PC-id_154148854	301.161	YRAUHPFMNZIJGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036486
CCCNC1=NC2=C(S1)CCN(CC2)CC3=CC=CC=C3	PC-id_164035790	301.161	VLYDCWRAWTYSPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036487
CC(/C(=C(C#N)/c1nnc2n1CCCCC2)/O)(Cl)Cl	PC-id_135607352,CK2060911,CoCoCo_3734635	301.172	SVVWCXDHUBEMLG-NTMALXAHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036488
CC(/C(=C(/C#N)c1nnc2n1CCCCC2)/O)(Cl)Cl	PC-id_136730838,CoCoCo_3734636	301.172	SVVWCXDHUBEMLG-CSKARUKUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036489
CC(Cl)(Cl)C(=O)[C@H](C#N)c1nnc2n1CCCCC2	CoCoCo_3734638,ZINC22_35441756	301.172	QGSQXFBSLLEEBN-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036490
CC(Cl)(Cl)C(=O)[C@@H](C#N)c1nnc2n1CCCCC2	ZINC22_35441754,PC-id_51692174,CoCoCo_3734637	301.172	QGSQXFBSLLEEBN-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036491
ClC(Cl)(C(=O)C(c1n2CCCCCc2nn1)C#N)C	PC-id_7713767	301.172	QGSQXFBSLLEEBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036492
N#CC(=C(C(Cl)(Cl)C)O)c1nnc2n1CCCCC2	MCULE-1305362538,EMOLS-id_26168362	301.172	SVVWCXDHUBEMLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036493
BrCC(=O)NC(c1n2CCCCCc2nn1)C	EMOLS-id_39935077,PC-id_63681209	301.183	KVKCHNVJELGTBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036494
CC1=C(C(=NN1C)C)CC(=O)N2CCCC3=C(C2)C=NN3C	MCULE-4295498137,PC-id_154779795,EMOLS-id_317044242	301.19	GTZRROVXTRZHFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036495
Brc1nc2c(s1)CCN(CC2)C(=O)C1CC1	SCHEMBL168354,PC-id_66611884	301.203	LAATXTWLHSYCTJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-036496
S(=O)(=O)(Oc1ccc2-c(cc1)ccc2C#N)C(F)(F)F	PC-id_10756684	301.241	PDJKOGUPEUNWNU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036497
FC(Cc1noc(n1)CN1CCCc2c(C1)cco2)(F)F	EMOLS-id_99340318	301.264	BECQQIGYEJGDSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036498
FC(c1ccc(o1)CNC1CCn2c(CC1)nnn2)(F)F	EMOLS-id_318590785,MCULE-9411484666	301.268	PWNUVZZFJGMGNJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-036499
Fc1ccc(cc1)C(=O)N1CCc2c(C(=C1)C(=O)O)[nH]cn2	SCHEMBL5788766,PC-id_69565905	301.272	BYWHPSFJADLHCU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-036500
O=C(c1cnc2n1CCCCC2)NC1(OCCO1)C(F)F	EMOLS-id_278194531	301.289	IQOGQNKQMDWWBK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-036501
O(C(=O)c1c2-c(c(c1NC(=O)C)C(=O)OC)ccccc2)C	PC-id_85628690	301.294	VWYMAPWOXMITSX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036502
c1(C(=O)c2ccc(cc2)N(=O)=O)n(O)c2c(CCCCC2)n1	CoCoCo_882425,MCULE-3769622515,PC-id_1322769,ZINC22_1152825,EMOLS-id_2435191	301.297	PSTPPXYVCXUGQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036503
c1(C(=O)c2cccc(c2)N(=O)=O)n(O)c2c(CCCCC2)n1	ZINC22_304436,MCULE-6049243844,PC-id_798941,CoCoCo_842605,EMOLS-id_2420137	301.297	DKEVTPYPSIXYRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036504
O(c1c2n(nc1C(=O)O)CCCNC2=O)Cc1ccccc1	PC-id_68952685,SCHEMBL4199776	301.297	QYICSIXHRFLTII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036505
Nc1ccnc(CNC(=O)c2coc3c2C(=O)NCCC3)n1	ZINC22_1446862392	301.301	HECDFAFQXUKAJE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036506
O=C(c1ccc2c(c1)OCO2)NC1CCn2c(CC1)nnn2	EMOLS-id_102171500	301.301	CVAZXGFKAFCMFL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-036507
c12CN(CCCn1nc(C#N)c2)C(=O)CCc1n[nH]c(=O)[nH]1	EMOLS-id_336507572,ZINC22_1940196341,MCULE-3958644040	301.304	DHGSKWZXCUYUFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036508
c1(C(=O)NC)noc(CN2CCCn3nc(C#N)cc3C2)n1	EMOLS-id_222756910,MCULE-6915935413,ZINC22_670439883	301.304	CQRVMSGCMMVUDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036509
CCCC1=C(OCCC)C=CCc2c1onc2C(F)(F)F	PC-id_143505393	301.304	FMIIQBKARFTBOP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-036510
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCC1)C(F)(F)F	EMOLS-id_319925659,MCULE-2897698972	301.307	MHXIKZNEJRBSIX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-036511
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1(CC1)C(F)(F)F	EMOLS-id_318805963	301.307	GTTLMLOLCBSRGY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-036512
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC1CC1	PC-id_19527322	301.307	MLHCEXRHPRMJDE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-036513
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCC=C	PC-id_19527310	301.307	LDSCOOBDPATIKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036514
Fc1ccc(C(=O)C2n3c(C(CCC2)C(=O)O)ccc3)cc1	PC-id_20483905,SCHEMBL11197602	301.312	CZOZWTQQIFXWRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036515
Fc1ccc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2)cc1	CHEMBL267061,PC-id_13487086,SCHEMBL11199027	301.312	FEWGMQCHLDHKJX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036516
Fc1c(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2)cccc1	SCHEMBL11200255,PC-id_20483926	301.312	POVLLWDAWBXBOT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036517
FC1(n2c(noc2=O)CCCC1)CCCCC(N)C(=O)O	SCHEMBL6797878,PC-id_23500549	301.314	CPWRNZSHULJVOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036518
O=C1[NH+]=C2C(=CC=CC=C2)C1=Cc1c(=O)[nH]c2-c1ccccc2	PC-id_101764820	301.319	HQFGMWRRRHCHLJ-UHFFFAOYSA-O	00000011100000000110000000000110000000000000000000000000	31-01-036519
C1COCCOc2c[nH]cc2OCCOCCOCCO1	PC-id_101697509	301.336	KHEYXPOFDGLFRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036520
CCCc1cc(c2-c1cc(ccc2)C(=O)NO)C(=O)OCC	PC-id_141580622	301.337	XBKGQNWDVGGOAT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036521
CCOC(=O)c1c(N)c(c2-c1cc(C)ccc2)C(=O)OCC	PC-id_102370782	301.337	HNAMMOJXTHSETL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036522
COc1cccc(c1)C(C(=O)N1CCCc2c(C1)cco2)O	EMOLS-id_316107785,MCULE-8454261948	301.337	NFICNRAIPUYVHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036523
COc1cc(ccc1O)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318632186	301.337	UJJFXTHPPAPAII-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036524
COc1ccc(cc1O)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318682008	301.337	CYLUCKRFTQQZFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036525
COc1cccc([C@H](O)C(=O)N2CCCc3occc3C2)c1	ZINC22_366464158	301.337	NFICNRAIPUYVHF-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036526
COc1cccc([C@@H](O)C(=O)N2CCCc3occc3C2)c1	ZINC22_366464163	301.337	NFICNRAIPUYVHF-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036527
COc1cc(CO)ccc1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_258085450	301.337	YHDUBCNXSNVGNQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036528
O(c1c2-c(c(CCC)c1)cc(ccc2)C(=O)NOCC)C=O	PC-id_56978805	301.337	GMIDEMCPRHNEAO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036529
O(C(=O)c1c2-c(c(c1N)C(=O)OC)cccc(C(C)C)c2)C	PC-id_85628702	301.337	NIYBZCJIELTRGA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036530
O(C(=O)c1c2-c(c(c1N)C(=O)OC)ccc(C(C)C)cc2)C	PC-id_85628707	301.337	FWIHQWXSNSFAKO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036531
OC(=O)C1c2n(CCCC1)c(c(c2)C)C(=O)c1occc1C	SCHEMBL11198871,PC-id_20483738	301.337	XHYSSVCWRTUJAG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-036532
OC(=O)C1c2n(CCCC1)c(c(c2)C)C(=O)c1occ(c1)C	SCHEMBL11200578,PC-id_20484060	301.337	CWHATDNOWZPRMV-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-036533
OC(=O)C1c2n(CCCC1)c(c(c2)C)C(=O)c1oc(cc1)C	SCHEMBL11206901,PC-id_20484178	301.337	MGXHHJXMYSYAEI-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-036534
COc1ccc2c(c1)/C(=C/c1ccc3-c1ccccc3)/C(=O)N2	SCHEMBL3283718,PC-id_59301661	301.339	GZOIHHZJKVIYNY-WQRHYEAKSA-N	00000010100000100110000000001010000000000000000000000000	31-01-036535
COc1ccc2c(c1)/C(=Cc1ccc3-c1ccccc3)/C(=O)N2	SCHEMBL3283722	301.339	GZOIHHZJKVIYNY-WOJGMQOQSA-N	00000010100000100110000000001010000000000000000000000000	31-01-036536
COc1ccc2c(c1)NC(=O)C2=Cc1ccc2-c1ccccc2	PC-id_59301658,SCHEMBL3284777	301.339	PNMMRAZQJDOYFU-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-036537
COc1ccc2c(c1)NC(=O)/C/2=Cc1ccc2-c1ccccc2	SCHEMBL3284774	301.339	PNMMRAZQJDOYFU-WQRHYEAKSA-N	00000010100000100110000000001010000000000000000000000000	31-01-036538
COC(=O)c1cc(c2-c1ccccc2)C#Cc1ccc(cn1)C	PC-id_101271579	301.339	CQKJUBAPLDVSDU-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-036539
O=C1c2ccccc2C(=O)N1C(c1ccc2-c1ccccc2)C	SCHEMBL3853028,PC-id_68814169	301.339	AVDLVTODNSPLQT-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-036540
O(c1cc2C(=Cc3c4-c(cc3)ccccc4)C(=O)Nc2cc1)C	PC-id_25264204	301.339	GZOIHHZJKVIYNY-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-036541
O(c1cc2NC(=O)/C(=C/c3c4-c(cc3)ccccc4)/c2cc1)C	PC-id_59301643	301.339	PNMMRAZQJDOYFU-WOJGMQOQSA-N	00000010100000100110000000001010000000000000000000000000	31-01-036542
c12CN(CCCn1nc(CO)c2)Cc1ccccc1C(=O)O	ZINC22_217537659,EMOLS-id_55673681,MCULE-6073688447,PC-id_91784780	301.34	VYLWJHHLRSBPGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036543
c1(C(=O)NCc2c3CCCCCc3[nH]n2)oc(C)cc(=O)c1	EMOLS-id_177375320,ZINC22_584886434,MCULE-7829638017	301.34	ATSPSIQEYZVZOT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036544
Cc1cc(NC(=O)c2noc3c2CCCCC3)c(=O)n(c1)C	EMOLS-id_111934462	301.34	RGVQZAHTWAVTOC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036545
Cc1cc(=O)n(cc1NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_111931309	301.34	RAYUSXZJJWUMHC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036546
CCn1cccc(c1=O)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_101861615	301.34	ISAKZPXASFDRTJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036547
CCOc1cccc(n1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318488096	301.34	AJFJBSBZYDPBIB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036548
CCOc1ncccc1NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318521179	301.34	RRAJMEADEREOKZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036549
CN(Cc1n[nH]c2c1CCCCC2)C(=O)C(=O)c1ccco1	ZINC22_19300625,MCULE-8371889584,PC-id_28133840,CoCoCo_1421310,EMOLS-id_23821190,CoCoCo_1421311	301.34	APNVAFAJQPGBCX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-036550
COc1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)O	EMOLS-id_101669221	301.34	QKYOEIIOFUDOGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036551
COc1ccc(c(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)O	EMOLS-id_319065944	301.34	VYPVKHOGYMKXAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036552
COc1cccc(c1O)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101667356	301.34	PACJPPZRSUMTQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036553
COc1ccc(c(c1)O)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101667392	301.34	GGKMJBNCBIBJCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036554
COc1ccc(c(c1)O)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320129290,MCULE-3313789877	301.34	SXFAUXPOGAZAAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036555
COc1cccc(n1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_99853658	301.34	YOMBASWBOMZYFA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036556
COc1ccc(cn1)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318691268	301.34	JDBNPVRAZZAACP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036557
COc1ccc(nc1)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318717868	301.34	DLQLSPZOPVAVAO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036558
COc1cccnc1CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318742077	301.34	UPPFNZUFFPGEOY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036559
COc1cccnc1N(C)C(=O)c1noc2c1CCCCC2	EMOLS-id_324024111,MCULE-1239881043,PC-id_146091843,ZINC22_132044860	301.34	UJGFUCRHDNQYPO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036560
COc1ccncc1CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318505783	301.34	FVAAKGMUENZCAI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036561
COc1cncc(c1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_319076976	301.34	FNYRZFFMGFJOSR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036562
COc1nccc(c1)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318510436	301.34	DZHGGSOQGRICHX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036563
COc1ncccc1CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318757819	301.34	XQAYXGHQNCQYSL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036564
COc1ncccc1N(C)C(=O)c1noc2c1CCCCC2	PC-id_146091755,ZINC22_154121643,EMOLS-id_324023078,MCULE-1241997745	301.34	PVFYHQVIVPFBSK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036565
COCC(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575403973	301.34	JXFDUUKBQQIIDY-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036566
COCC(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575403974	301.34	JXFDUUKBQQIIDY-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036567
COCC(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751311	301.34	JXFDUUKBQQIIDY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036568
Oc1cccc(c1CNC(=O)c1cnc2n1CCCCC2)O	EMOLS-id_318818948	301.34	CZEHKSSGZLMUFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036569
Oc1c(cccc1O)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_319566972	301.34	SVZKJWOHESUEMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036570
OCc1cc2CN(CCCn2n1)C(=O)OCc1ccccc1	EMOLS-id_331255609	301.34	PLOBPAGQXRKWDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036571
OCC1CCn2cncc2CN1Cc1ccc2OCOc2c1	EMOLS-id_313741244	301.34	PILYRBFPDBEIOL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-036572
OCC1CN(Cc2ccnn2C1)C(=O)OCc1ccccc1	EMOLS-id_331254585	301.34	ZJGWCYUBZAPLDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036573
OCC1CN(Cc2nccn2C1)C(=O)OCc1ccccc1	EMOLS-id_331254329	301.34	LUDWXPGMPYLGTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036574
O=C(c1coc2c1C(O)CCC2)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319563768	301.34	RMLJADGELLMBTI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036575
OCc1ncn2c1CN(C(=O)OCc1ccccc1)CCC2	EMOLS-id_50368822,ZINC22_381811879,MCULE-4494001409	301.34	DNCNGULCEOOAAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036576
O=C(c1n[nH]c2c1CCCCC2)NCc1cccc(c1O)O	EMOLS-id_319099062	301.34	SIIHEPPPTQPOIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036577
O=C(c1noc2c1CCCCC2)N1CCC[C@@H]1c1ccon1	MCULE-3249767306,EMOLS-id_319967473	301.34	QVBYDMDHXZWYAP-CYBMUJFWSA-N	00000010100000000101100000000010000000000000000000000000	31-01-036578
O=C(c1noc2c1CCCCC2)Nc1c(C)ccn(c1=O)C	EMOLS-id_111934234	301.34	DJPARLUHHPXJAZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036579
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OCC(c1ccccn1)NC(=O)c1noc2c1CCCCC2	MCULE-6880837268,EMOLS-id_319822496	301.34	QJAKQNCYUGYGCF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036582
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OC(=O)c1ccc(cc1)CC1(O)CCCCCc2c1n[nH]n2	SCHEMBL16853065,PC-id_118189039	301.34	HVFYEHUNTMFOOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036586
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nn2c(c1)COCC2	EMOLS-id_319619165	301.344	RCZCUSNNACBLOO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036597
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Cc1cncc(c1)C(=O)NCC1COCc2n(C1)nnc2C	PC-id_118739431	301.344	OGQMHPZPXLQTQC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036599
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Cc1nnn2c1COC[C@H](CNC(=O)Cc1ccccn1)C2	ZINC22_96199328,PC-id_97469401	301.344	ZSXGPPITDFMSSK-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036602
Cc1nnn2CC(CNC(=O)Cc3ccccn3)COCc12	EMOLS-id_44332563	301.344	ZSXGPPITDFMSSK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036603
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C#CCCC1(CCC(=O)N2CCc3[nH]nc(O)c3CC2)N=N1	ZINC22_2325886314	301.344	JMLJLHXPSTWFBO-UHFFFAOYSA-N	00110000100000000101000000000010000000000000000000000000	31-01-036605
C#CCCC1(CCC(=O)Nc2cnc3n2CCOCC3)N=N1	ZINC22_2325892968	301.344	XLVVIRIKWPKANM-UHFFFAOYSA-N	00110000100000000101000000000010000000000000000000000000	31-01-036606
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CCOC[C@@H]1CCn2cncc2CN1C(=O)c1ccnnc1	ZINC22_585097195	301.344	INQSMYLQQMETGG-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036616
CCOC[C@H]1CN(C(=O)c2ccncn2)Cc2cncn2C1	ZINC22_96215614,PC-id_97482679	301.344	RHTVRLUUFUOZAD-LBPRGKRZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036617
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COc1ccccc1C(=O)NCc1nnc2CCNCCn12	EMOLS-id_68902748,MCULE-1264067286,ZINC22_299781919,PC-id_118759606	301.344	IPKWKBRLOBHTBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036628
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O=C(c1noc2c1CCCCC2)Nc1nnc(n1C1CC1)C	EMOLS-id_110606995	301.344	DFYSLWUHBOIRGH-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-036670
O=C(c1noc2c1CCCCC2)Nc1n[nH]c2c1CNCC2	MCULE-6310255619,EMOLS-id_319970550	301.344	IYVFENDUSQTBNG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036671
O=C(Cc1ccc(cc1C)O)NC1CCn2c(CC1)nnn2	EMOLS-id_319500090	301.344	VXAAUBIVIUAXNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036672
O=C(Cn1ccccc1=O)NCc1nnc2n1CCCCC2	EMOLS-id_36261881,ZINC22_46729729,MCULE-2068095761,PC-id_46447209	301.344	SUAQODQJGOMHBR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036673
O=C(Cn1nc2n(c1=O)CCCCC2)NCc1ccccn1	EMOLS-id_318437145	301.344	ZFUUZWFBMHJTKD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036674
O=C(N1CCCc2c(C1)cco2)Nc1nc2n(n1)CCCC2	EMOLS-id_101443407	301.344	BFACSFIZBCHQAI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036675
O=C(N1CCC[C@H]1c1[nH]ncn1)c1noc2c1CCCCC2	EMOLS-id_316696938	301.344	LDDRTDZJUOPJGB-NSHDSACASA-N	00000010100000000101100000000010000000000000000000000000	31-01-036676
O=C(N1CCn2c(C1C)nnc2)c1noc2c1CCCCC2	EMOLS-id_111598742	301.344	MHLNYPTVTMULHL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036677
O=C(NC1CCn2c(CC1)nnn2)CCc1cccc(c1)O	EMOLS-id_319737857	301.344	QZQNDVOQRWESCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036678
O=C(NCc1nnc2n1CCCCC2)c1cc(C2CC2)on1	PC-id_24676740,MCULE-5338297960,EMOLS-id_35691732,ZINC22_25667948	301.344	MEMHXHOKJGCLLD-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-036679
O=C(NCCc1n2CCCCCc2nn1)C1C=CC(=O)N=C1	PC-id_75263967	301.344	ASCJFSBQYXPORL-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-036680
O=C(NCCc1nnc2n1CCCCC2)c1ccc(=O)[nH]c1	PC-id_47016871,ZINC22_48308858,EMOLS-id_30698126,MCULE-7547113733	301.344	KWAUCMAMLJXVRV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036681
[O-][N+](=O)c1c(N(Cc2n3CCCCCc3nn2)C)cccc1	PC-id_47034320	301.344	VIYYWOYSQUJVTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036682
c12C(CCCCn1nnn2)C(=O)NCc1cc([nH]n1)C1CC1	EMOLS-id_177425219,MCULE-4886406842	301.347	WPIQGOJQCNKPEI-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-036683
c12CN(CCCn1nc(CNc1ccnc(N)n1)c2)C(=O)C	PC-id_70730939,MCULE-6488911672,EMOLS-id_44432737,ZINC22_82107054	301.347	GQOQLDFGYPIHTR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036684
c12nnnn1CCCCC2C(=O)Nc1cnc2CCCCn12	MCULE-1354353086,EMOLS-id_36596851,PC-id_56751735	301.347	ALDFXPVKHDHBFT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036685
c1(C(=O)Nc2cnn3CCCNc23)cn2c(CCNCC2)n1	ZINC22_1857710018,MCULE-5591706037,EMOLS-id_330415068	301.347	DGSQMHCTEYWZRF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036686
Cc1ccc(NCc2cnc3CCN(CCn23)C(=O)N)nn1	ZINC22_107081151,PC-id_98773901,EMOLS-id_44329195	301.347	JIISJMCZEABRML-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036687
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nn2c(n1)NCCC2	EMOLS-id_319856058,MCULE-2369769173	301.347	HQLRTGBCUKPCKZ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036688
CCc1ccncc1NC(=O)NC1CCn2c(CC1)nnn2	MCULE-7823308482,EMOLS-id_320100483	301.347	FXYFUSLQVVPGQN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036689
C#CCCC1(CCNC(=O)[C@@H]2CCc3nnnn3CC2)N=N1	ZINC22_2325886961	301.347	PBTQGTUSNKXTLI-LLVKDONJSA-N	00110000100000000101000000000010000000000000000000000000	31-01-036690
C#CCCC1(CCNC(=O)[C@H]2CCc3nnnn3CC2)N=N1	ZINC22_2325886962	301.347	PBTQGTUSNKXTLI-NSHDSACASA-N	00110000100000000101000000000010000000000000000000000000	31-01-036691
CCNc1cccnc1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319025217	301.347	PRGFQRNQIJDUGJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036692
Cn1cc(c(n1)C1CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102246861	301.347	HBNLEBKEZQZLPZ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-036693
Cn1ncc2c1CCCN(C(=O)C1=NN3CCCN=C3N1)C2	PC-id_137247395,EMOLS-id_316166744,MCULE-1431643825,ZINC22_952895068	301.347	RMNIJQDCKMKIJU-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-036694
CN(c1cccnc1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_278936308	301.347	VTSGIMQEPHZFJA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036695
CN(C(=O)Nc1cccnn1)Cc1nnc2n1CCCCC2	EMOLS-id_318869893	301.347	KVFYKRYDZWRCDI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036696
CN(C(=O)NC1CCn2c(CC1)nnn2)Cc1cccnc1	EMOLS-id_319007366	301.347	OURRUAFANPYRNH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036697
CN(C(=O)NC1CCn2c(CC1)nnn2)Cc1ccncc1	EMOLS-id_319452512	301.347	FSOMZDCHEPIJRX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036698
CN(C(=O)Nc1ccnnc1)Cc1nnc2n1CCCCC2	EMOLS-id_318925435	301.347	CZFUEQQRIZWBRN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036699
O=C(C1CCn2c(CC1)nnn2)N[C@@H](c1nccnc1C)C	EMOLS-id_319214672	301.347	CFVFOOSEQDPCBY-NFJWQWPMSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036700
O=C(C1CCn2c(CC1)nnn2)N[C@H](c1nccnc1C)C	EMOLS-id_319573768	301.347	CFVFOOSEQDPCBY-VUWPPUDQSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036701
O=C(c1cnc2n1CCCCC2)N1CCCC1c1[nH]nnn1	EMOLS-id_316532720	301.347	XVYKPGMQCFXZAE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-036702
O=C(c1cnc2n1CCCCC2)N1CCC(C1)c1nn[nH]n1	EMOLS-id_319768595	301.347	ZJWKHWYYTBLIHJ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-036703
O=C(c1cnc2n1CCCCC2)N1CCC[C@H]1c1nn[nH]n1	ZINC22_900389902	301.347	XVYKPGMQCFXZAE-JTQLQIEISA-N	00000010100000000101100000000010000000000000000000000000	31-01-036704
O=C(c1ncc2n1CCCC2)NC1CCn2c(CC1)nnn2	EMOLS-id_318992569	301.347	GJUFZLDGWVASKD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036705
O=C(N1CCCn2c(C1)c(nn2)Cn1cnnc1)CC1CC1	PC-id_97413609	301.347	VWLUTTCENHOIFY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-036706
O=C(NC1CC1)N1CCc2ncc(Cn3cncn3)n2CC1	EMOLS-id_44328959,ZINC22_96197013,PC-id_97467157	301.347	QATPWVASBVOZSC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-036707
O=C(Nc1cc(C)cc(n1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102020536	301.347	FVTRWWAOINABRC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036708
O=C(Nc1ccc(nc1C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102001743	301.347	LGYBPKXJDCLPET-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036709
O=C(NC1CCn2c(CC1)nnn2)NCc1cccc(n1)C	EMOLS-id_318798755	301.347	LAZJVQAILREWDN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036710
O=C(NC1CCn2c(CC1)nnn2)NCc1ccncc1C	EMOLS-id_319213164	301.347	VCNOFNINLGTNIC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036711
O=C(NC1CCn2c(CC1)nnn2)NCc1cncc(c1)C	EMOLS-id_319622474	301.347	YWPBVYZFHOBPCT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036712
O=C(NC1CCn2c(CC1)nnn2)NCc1ncccc1C	EMOLS-id_318960502	301.347	AXAMMXVTULLQTD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036713
O=C(Nc1cnc2n1CCCC2)[C@@H]1CCCCn2nnnc12	ZINC22_67756064	301.347	ALDFXPVKHDHBFT-SNVBAGLBSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036714
O=C(Nc1cnc2n1CCCC2)[C@H]1CCCCn2nnnc12	ZINC22_67756065	301.347	ALDFXPVKHDHBFT-JTQLQIEISA-N	00000000100010000101000000010010000000000000000000000000	31-01-036715
O=C(Nc1cnn(C2CCC2)c1)N1CCCn2nncc2C1	ZINC22_934303356,PC-id_136564359,EMOLS-id_316958379,MCULE-9104064728	301.347	TXIBGYMRDGITFF-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-036716
O=C(NCc1cc(C2CC2)n[nH]1)[C@@H]1CCCCn2nnnc12	ZINC22_584892947	301.347	WPIQGOJQCNKPEI-LLVKDONJSA-N	00100000100000000101100000000010000000000000000000000000	31-01-036717
O=C(NCc1cc(C2CC2)n[nH]1)[C@H]1CCCCn2nnnc12	ZINC22_584892948	301.347	WPIQGOJQCNKPEI-NSHDSACASA-N	00100000100000000101100000000010000000000000000000000000	31-01-036718
O=C(NC(c1ccccn1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_319597350	301.347	KNPDHILVGNWMPX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-036719
O=C(N(Cc1n2CCCCCc2nn1)C)c1nccnc1N	PC-id_30828977	301.347	WVXHNTFKGFSQDB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036720
O=C(C1NCC(C1)(F)F)Nc1nc2c(s1)CCCCC2	PC-id_120347424	301.355	BIQRNHRSBZVIHS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-036721
c12CN(CCCc1n(nc2)C)C(=O)CCc1ccccc1F	EMOLS-id_365252,ZINC22_12235671,MCULE-7535590393,PC-id_92427904,AOP-19177713	301.359	GKCQGRHBQCQQLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036722
c12C(=O)NCC(C)(C)Cc1[nH]c(CCc1ccc(cc1)F)n2	ZINC22_95381071,MCULE-2644830218,EMOLS-id_46637134,PC-id_72911997	301.359	UJRVLLHXHSAGPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036723
Cc1cccc(c1CNC(=O)c1cnc2n1CCCCC2)F	EMOLS-id_318656983	301.359	AOITVJNSSACHSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036724
Cc1ccc(Cn2cc3c(n2)CC(C)(C)CNC3=O)cc1F	ZINC22_634559955,MCULE-7608717840,EMOLS-id_316991300	301.359	NRSJLXYRNRRBFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036725
Cc1cc(CNC(=O)c2cnc3n2CCCCC3)ccc1F	EMOLS-id_318683292	301.359	RGWWMYJDDRLRPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036726
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)cc(cc1C)F	EMOLS-id_318990809	301.359	UKYYGNWGSQMTLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036727
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)c(c(c1)C)F	EMOLS-id_319813373	301.359	QRXFRGHQESZFPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036728
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1ccccc1F)C	EMOLS-id_319121439	301.359	IVFJRTZIDHAWNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036729
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1cccc(c1)F)C	EMOLS-id_319771865	301.359	NUVGPVYXORDDRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036730
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cc(C)ccc1F	MCULE-6589175430,EMOLS-id_319966248	301.359	JADZBJYECOTNNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036731
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccc(cc1)F	EMOLS-id_319467616	301.359	ISHLUGRFMLCCCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036732
CC(C1C(=O)N(CCc2n1cnc2)Cc1ccc(cc1)F)C	PC-id_57917752,SCHEMBL3976754	301.359	JAAPEAYIQRCZDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036733
CC(C1C(=O)N(CCc2n1cnc2)Cc1cccc(c1)F)C	PC-id_57917764,SCHEMBL3978295	301.359	PZHNMFOYEBILJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036734
Fc1ccc(c(c1)C)NC(=O)Cn1cc2c(n1)CCCCC2	PC-id_20892467,CoCoCo_2192304	301.359	SHDMTBLVRNWOKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036735
Fc1cccc(CCNC(=O)c2n[nH]c3CCCCCc23)c1	MCULE-8353109247,EMOLS-id_323249340	301.359	HGLNNMIFZNLDHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036736
Fc1ccc(CCNC(=O)c2c3c(CCCCC3)[nH]n2)cc1	EMOLS-id_323248822,MCULE-4499332251	301.359	HHWCLXNLCCVSNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036737
Fc1ccc(CNC(=O)Cn2nc3CCCCCc3c2)cc1	PC-id_20892457	301.359	MBPJHUWAALGRAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036738
Fc1cc(CNC(=O)c2cnc3n2CCCCC3)ccc1C	EMOLS-id_318553242	301.359	USUUGDPDSDBDCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036739
C1CC(=O)c2c(N(C1)C(=O)OCc1ccccc1)scc2	PC-id_134960440	301.36	NWBURAAMBJVCIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036740
N#CSc1c2-c(c(c1O)C(=O)OC)cc(ccc2)C(C)C	PC-id_102009229	301.36	JVWSBRTXIXTOIO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036741
O=C(c1cccc(c1)C(=O)O)N1CCCc2c(C1)ccs2	EMOLS-id_318250152,MCULE-1765372840	301.36	HXIRBDNQQCNDLK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036742
O=C(N1CCCc2c(C1)ccs2)c1ccc(cc1)C(=O)O	EMOLS-id_318285170,MCULE-5651601268	301.36	UQNVOUDBAORGEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036743
O=C(N1CCCC(=O)c2c1ccs2)OCc1ccccc1	SCHEMBL19436827	301.36	IRCNOMFBXFKESJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036744
s1c2CCCC(=O)N(c2cc1)Cc1c(cccc1)C(=O)O	PC-id_63748286	301.36	ANWBYYKYPBOSLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036745
s1c2CCCC(=O)N(c2cc1)Cc1cc(ccc1)C(=O)O	PC-id_63748980	301.36	JVUHMZBCLCXRSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036746
s1c2CCCC(=O)N(c2cc1)Cc1ccc(cc1)C(=O)O	PC-id_63749502	301.36	DOSMERMNBGORAB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036747
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)[C@@H]1COC[C@H]1O	EMOLS-id_319469856	301.362	RLXDRPFGUZLVMR-OXRXOVLSSA-N	00000010100000000101000000000010000000000000000000000000	31-01-036748
Fc1cccc(c1)C1CC(C1)NC1CCn2c(CC1)nnn2	MCULE-7394663447,EMOLS-id_102028286	301.362	XUWMYEXCFGGRMR-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-036749
Fc1cccc(C2CC(N[C@H]3CCc4nnnn4CC3)C2)c1	ZINC22_333894050	301.362	XUWMYEXCFGGRMR-BLZCZZARSA-N	00001000100000110101100000000010000000000000000000000000	31-01-036750
Fc1cccc(C2CC(N[C@@H]3CCc4nnnn4CC3)C2)c1	ZINC22_333894052	301.362	XUWMYEXCFGGRMR-HNFVBEJKSA-N	00001000100000110101100000000010000000000000000000000000	31-01-036751
OC(=O)C(CCSCC1CCCCc2n1c(=O)on2)N	SCHEMBL6798218,PC-id_22901399	301.362	YMFPEGCKMQTYRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036752
OC(=O)[C@H](CCSCC1CCCCc2n1c(=O)on2)N	PC-id_69898885,SCHEMBL6798224	301.362	YMFPEGCKMQTYRB-GKAPJAKFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036753
OC(=O)[C@@H](CCSCC1CCCCc2n1c(=O)on2)N	PC-id_69898886,SCHEMBL6798226	301.362	YMFPEGCKMQTYRB-YGPZHTELSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036754
OC(=O)[C@H](CSCCC1CCCCc2n1c(=O)on2)N	PC-id_59923006,SCHEMBL6791716	301.362	BIWFFZRMEOSMGP-GKAPJAKFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036755
S(CC1n2c(noc2=O)CCCC1)CC(NC)C(=O)O	PC-id_59974974	301.362	QUIOBDGVBBMSOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036756
S(CCC1n2c(noc2=O)CCCC1)CC(N)C(=O)O	PC-id_22901398	301.362	BIWFFZRMEOSMGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036757
S(=O)(=O)(NCC(=C)C)CC1n2c(noc2=O)CCCC1	PC-id_22901433	301.362	ZXEBFGJUJDIBHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036758
S(=O)(=O)(N(CC=C)C)CC1n2c(noc2=O)CCCC1	PC-id_22901437	301.362	YHXQWMFHYILMHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036759
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Cc1ccccc1	PC-id_90625389	301.363	RAGMHCFWNHIPKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036760
c1cc2c(o1)CCCN(Cc1nc(c3ccsc3)no1)C2	ZINC22_288758375,MCULE-4314958183,EMOLS-id_177263517	301.363	IQWJNAPWYDRXEG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-036761
Cc1ccccc1C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625321	301.363	NCFMTKORHPDFKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036762
Cc1cccc(c1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625322	301.363	XHCPGJKJEOYMGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036763
Cc1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625323	301.363	HWTGNHOMIJZTBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036764
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O=C(c1[nH]cnc1C(C)(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_318021889	301.387	RLXTVPAFVXLLTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036947
O=C(c1[nH]nc2c1CCCCC2)NCCCCn1ccnc1	ZINC22_12147246,SYN-15596912,PC-id_46963603,CoCoCo_475429,CoCoCo_475428,MCULE-5455431289	301.387	DYCLVZAFYOQWKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036948
O=C(c1nn(c(c1)C(C)C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101673068	301.387	BXOFCQYYDJNZEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036949
O=C(c1nn(c(c1)C)C(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101678411	301.387	ZEODBKBBUDSGCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036950
O=C(c1n[nH]c2c1CCCCC2)N1CCC(CC1)C1(C)N=N1	EMOLS-id_319544033	301.387	WFUQVOSMVAIUFL-UHFFFAOYSA-N	00110000100010000101100000000010000000000000000000000000	31-01-036951
O=C(c1n[nH]c2c1CCCCC2)NCc1c[nH]c(n1)C(C)C	EMOLS-id_318885573	301.387	RDFLTCRIYPXICU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036952
O=C(c1n[nH]c2c1CCCCC2)NCC(n1cccn1)(C)C	MCULE-6873875262,EMOLS-id_258022679	301.387	JYVHTKXCPURJPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036953
O=C(c1n[nH]c2c1CCCCC2)NCC(n1ccnc1)(C)C	EMOLS-id_278446355	301.387	ZBHLPVKFMRINTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036954
O(Cc1nnn2c1CN(CCC2)Cc1ccc[nH]1)CC1CC1	PC-id_97405193	301.387	CHEVSQNHFUACBM-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-036955
O=C(C(Cn1cncc1)C)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319755663	301.387	IBWAHVQKCGIYKQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036956
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)CCc1ccn[nH]1	EMOLS-id_319649711	301.387	VXHUQZRYMPCRHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036957
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)CCc1nccn1C	EMOLS-id_319200991	301.387	CPIZHDDOVFRNPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036958
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)CCc1[nH]cc(n1)C	EMOLS-id_318874677	301.387	IXCFCRWGKRDBEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036959
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)CCc1[nH]nc(c1)C	EMOLS-id_319657029	301.387	XBTAMNZJCRYVSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036960
O=C(N1CCCc2c(C1)cnn2C)Cc1ccn(n1)C(C)C	EMOLS-id_258201487	301.387	RFWJTXZKKQIUHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-036961
c12CN(CCC)CCCn1nc(CNc1ccnc(N)n1)c2	EMOLS-id_44432193,ZINC22_82106670,PC-id_70729522,MCULE-5878038565	301.39	KKLAIUMMKZSLON-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036962
C1CCn2c(CC1)nnc2CN1CCCC(C1)n1ccnn1	EMOLS-id_102193363	301.39	QWANLNQFZRIDTJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-036963
CCCNc1ncnc(c1)NCc1nnc2n1CCCCC2	EMOLS-id_319566927	301.39	ZHIIYLJFXCNMNB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036964
CN1CCc2ncc(CNc3cc(N(C)C)ncn3)n2CC1	ZINC22_96197146,EMOLS-id_44329213,PC-id_97467288	301.39	MBDIIMNKZABSHP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-036965
Cn1nc2c(c1CNC1CCn3c(CC1)nnn3)CCCC2	MCULE-2698069082,EMOLS-id_316423745	301.39	QBFYZUSRJNQOKA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-036966
O(C(=O)c1c2-c(c(CCCCN)[14cH]1)ccc(C(C)C)cc2)C	PC-id_10017752	301.4	WXGHNJOPUQHOEA-HVRMQOCCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-036967
Fc1ccc(cc1)C(c1nnc2n1CCCCCC2)C(C)C	PC-id_10357504,SCHEMBL4533195	301.402	NSNHRUXFTUPYJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-036968
c1(csc2CCCCCc12)C(=O)Nc1ccc(cc1)OC	ChEMBL-DNDi_CHEMBLC760-0898,EMOLS-id_16062739,MCULE-9541708158,CoCoCo_2171507,PC-id_16010560,CHEMBL1475259	301.403	VNNQUHSVTROMHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036969
c1(csc2CCCCCc12)C(=O)Nc1cccc(OC)c1	MCULE-4069116731,ChEMBL-DNDi_CHEMBLC760-0897,CHEMBL1357996,EMOLS-id_16062737,PC-id_16010558,CoCoCo_2171506	301.403	NOXFTVYHTMXUQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036970
CCOc1cncc(c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_115793791	301.403	MHYHVAOMANSFOQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-036971
COc1cccc(C(=O)c2c(N)sc3c2CCCCC3)c1	PC-id_10447607,CHEMBL127792	301.403	NYGWUCZNUGAJKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036972
COc1ccc(C(=O)c2c(N)sc3c2CCCCC3)cc1	PC-id_44301720,CHEMBL300789	301.403	BXFMJZMDFOXYTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036973
COc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1	EMOLS-id_43824299,MCULE-2112266785,PC-id_7900045,ZINC22_6152248,CoCoCo_3258717	301.403	JLRAGBIAKQKVDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036974
Oc1cccc(c1)CCC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318609129	301.403	QFXQATHECPCZNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036975
Oc1ccc(c(c1)C)CC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319240461	301.403	GIZAUXAYUCTXTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036976
Oc1ccc(cc1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_115577611	301.403	OBWWTYNFCBAOHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036977
Oc1cccc(c1)N(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_107736044	301.403	KBMYZCBSCKCHQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036978
O=C(c1cc2c(s1)CCCCC2)NCc1ccccc1O	PC-id_115598837	301.403	RPWDAIOWLBIHML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036979
OCc1ccccc1CC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318492559	301.403	XFVRKIVOOSUANB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036980
OCc1ccccc1CC(=O)N1CCCCc2c1ccs2	EMOLS-id_318731850	301.403	RWGVDUOXEJCNLT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036981
OCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	SCHEMBL6202773,PC-id_59986875	301.403	MKTVUXLRDCFYLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036982
O=C(c1c(N)sc2c1CCCCC2)OCc1ccccc1	SCHEMBL14829707,PC-id_71548584	301.403	IRXWUSINGLXZCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036983
OCC(C(=O)N1CCCc2c(C1)ccs2)c1ccccc1	EMOLS-id_318069689	301.403	AVNYWTACKDFGTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036984
OCC(C(=O)N1CCCCc2c1ccs2)c1ccccc1	EMOLS-id_317981627	301.403	HNUFMDYZPTVRJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036985
O=C(N1CCCc2c(C1)ccs2)C(Cc1ccccc1)O	EMOLS-id_318332675	301.403	JVAQKFWCZCVFOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036986
O=C(N1CCCc2c(C1)ccs2)[C@H](Cc1ccccc1)O	EMOLS-id_318332419	301.403	JVAQKFWCZCVFOE-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036987
O=C(N1CCCCc2c1ccs2)C(Cc1ccccc1)O	EMOLS-id_318258447	301.403	QVUCPTCYZZAOEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036988
O=C(N1CCCCc2c1ccs2)[C@H](Cc1ccccc1)O	EMOLS-id_318258191	301.403	QVUCPTCYZZAOEI-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036989
O=C(O)c1ccccc1CCN1CCCc2sccc2C1	EMOLS-id_316900024,PC-id_136550470,ZINC22_652410893,MCULE-9909952434	301.403	HOSHKTVJKWPLBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036990
OC(=O)C(c1ccccc1C)N1CCCc2c(C1)ccs2	EMOLS-id_318192527,MCULE-9344356981	301.403	UWTCLJZYNXHUQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036991
OC(=O)Cc1ccccc1CN1CCCc2c(C1)ccs2	EMOLS-id_318593589,MCULE-7471410308	301.403	BLEHJARIHCOIRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036992
s1c2CCCCCc2cc1C(=O)Nc1c(cccc1)CO	PC-id_60655197	301.403	ONTBGEBYGTXPQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036993
s1c2CCCCCc2cc1C(=O)Nc1ccc(cc1)CO	PC-id_64793766	301.403	AOUJXHPJZLXIKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036994
s1c2CCCCCc2cc1C(=O)Nc1cc(ccc1)CO	PC-id_9162844	301.403	DQFHDDVQSKPMEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036995
s1c2CCCCCc2cc1C(=O)N(c1ccc(O)cc1)C	PC-id_29266378	301.403	LRCZTOOSXPPMOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036996
s1c2CCCCCc2cc1C(=O)Nc1c(cc(O)cc1)C	PC-id_64489851	301.403	JNFHSNBCGQVHKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036997
s1c2CCCCCc2cc1C(=O)Nc1cc(c(O)cc1)C	PC-id_81559588	301.403	TYLIAORMOSFCCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036998
s1c2CCCCCc2cc1C(=O)Nc1cc(O)c(cc1)C	PC-id_64792565	301.403	XPVHBPAYOFFLFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-036999
s1c2CCCCCc2cc1C(=O)Nc1c(c(O)ccc1)C	PC-id_64794010	301.403	ZOXBFKNIUFGDLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037000
s1c2CCCCCc2cc1C(=O)Nc1cc(OC)ccc1	PC-id_8714146	301.403	QGGVAAQIUKNPLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037001
s1c2CCCCCc2cc1C(=O)Nc1c(O)cc(cc1)C	PC-id_9369994	301.403	IYSCUBGCSGPDQP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037002
s1c2CCCCCc2cc1C(=O)Nc1c(OC)cccc1	PC-id_40606337	301.403	MCIMKOHSJOKLTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037003
s1c2CCCCCc2cc1C(=O)NCc1cc(O)ccc1	PC-id_61017425	301.403	XHYCCWIDBPTUOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037004
s1c2CCCCCc2cc1C(=O)NOCc1ccccc1	PC-id_9227380	301.403	IGYXURGWNNVENC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037005
s1c2c(CCCCC2)c(c1N)C(=O)c1c(OC)cccc1	PC-id_860621	301.403	VZSYIASJNKKLFF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037006
s1c2CCCCCCc2cc1C(=O)Nc1c(O)cccc1	PC-id_27157824	301.403	YKGBVSJPQBHKAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037007
s1c2c(C(CN(CC2)Cc2ccccc2)C(=O)OC)cc1	PC-id_11500427	301.403	RKTWPLFKBCMYQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037008
CCC(CS(=O)(=O)N1CCCc2c(C1)cnn2C)OC	EMOLS-id_102000648	301.405	UFIZIEXPZIJSSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037009
CC(OCCS(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101948625	301.405	GWACEXRQMLZKRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037010
CCS(=O)(=O)N1CCCn2cnc(COC(C)C)c2C1	ZINC22_96059056,PC-id_97381709,EMOLS-id_46148403	301.405	KSEZKRZZTIQXAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037011
COC(C)(C)CS(=O)(=O)N1CCCc2c(cnn2C)C1	ZINC22_333412744,EMOLS-id_101950941,MCULE-6254066105	301.405	RLDORAZEWDXUCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037012
COCCC(S(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101950749	301.405	HQJPOCRLOQGOIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037013
COCC(CS(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101950782	301.405	PDKBAKVPWWWRON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037014
COCCOCC(CSc1nnc2n1CCCCC2)O	PC-id_106992376	301.405	QPNNKEPALATTDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037015
COCC(S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)CC	MCULE-8070436488,EMOLS-id_320106228	301.405	MFUMCYNYOVJKMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037016
c12C(=O)NCCCc1[nH]c(CSCc1ccccc1C)n2	PC-id_50948932,EMOLS-id_32369462,ZINC22_65370658,MCULE-7470229587	301.407	PTIBBCZHGTTWEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037017
c12N=C(O)CSC(C(C)C)c1cnn2Cc1ccccc1	EMOLS-id_44205422,MCULE-5955278214,PC-id_135634546,STOCK7S-30809,EMOLS-id_44238751	301.407	INOPJZBOGCIHDA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-037018
c1(cc2c(CCCC2)s1)C(=O)N1CCCn2cncc2C1	MCULE-1294439981,ZINC22_72146898,PC-id_56892952,EMOLS-id_43101737	301.407	CSVIQXPAFUYQHW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-037019
c1(C(=O)NCc2cccnc2)c2CCCCCc2sc1N	PC-id_843554,CoCoCo_6814635,ZINC22_374482,TIMTEC159282,EMOLS-id_3785180,MCULE-5317043832	301.407	FXIDHWUPXWXSQG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037020
c1(NC(=O)Cc2cccnc2)sc2c(CCCCCC2)n1	EMOLS-id_316249889,MCULE-7071833509,ZINC22_264650858	301.407	GKYJAWUTPZUSBF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037021
c1(NC(=O)Nc2ccccc2)sc2c(CCCCCC2)n1	EMOLS-id_30172555,PC-id_46350007,MCULE-4956165322	301.407	VOWHAUTWWYXWBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037022
c1(NC(=O)Nc2cccc(C)c2)sc2c(CCCCC2)n1	EMOLS-id_16329844,CoCoCo_2552410,MCULE-9987765836,PC-id_20966631	301.407	SCLUJCPIGSVJBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037023
Cc1ccc(cc1)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3082248,CoCoCo_3082249	301.407	NBVDRGXJESNMLX-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037024
Cc1ccc(cc1)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3082250,CoCoCo_3082247	301.407	NBVDRGXJESNMLX-KAMYIIQDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037025
Cc1ccc(cc1)C(=O)CSc1nnc2CCCCCn12	ZINC22_14158892,PC-id_17455160,EMOLS-id_10085451,MCULE-8279953829,CoCoCo_3082246	301.407	PCXLAJULTBHBPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037026
Cc1ccc(cn1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644824	301.407	UASJSAIYDPOMEN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037027
Cc1ccc(C(=O)CSc2nc3n(n2)CCCCC3)cc1	ZINC22_26506531,EMOLS-id_42991371,PC-id_33778067,CoCoCo_5900348,CoCoCo_5900347	301.407	KQGFGYDFVPPPDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037028
Cc1cc(C)nc(n1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_144767734	301.407	IGZKJYXMQDZXKL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037029
Cc1ccnc(n1)CNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_320180275,MCULE-1127450882	301.407	USLNVZAVZVSLJI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037030
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1sc2c(c1)CCC2	MCULE-1744579612,EMOLS-id_319888496	301.407	XUUCJQJASURGPA-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-037031
Cc1cnc(c(c1)C)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319620485	301.407	WDIQPNZWMKPLLT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037032
Cc1cncc(c1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111197809	301.407	KLMAGJLITOTQGN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037033
Cc1nccc(c1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111830831	301.407	XBBBCTJMIBKGBF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037034
Cc1sc2c(n1)CCCCN2C(=O)c1cccc(c1N)C	MCULE-2862801187,EMOLS-id_320159650	301.407	OYSPYYCHLLQVPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037035
Cc1sc2c(n1)CCCCN2C(=O)c1cc(C)nc(c1)C	EMOLS-id_319495894	301.407	KTJVYFBRVZPENR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037036
Cc1sc2c(n1)CCCCN2C(=O)c1ncc(c(c1)C)C	EMOLS-id_319943437,MCULE-8314735714	301.407	MSGMAPNVQKHHHE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037037
Cc1sc2c(n1)CCCCN2C(=O)c1[nH]c2c(c1)CCC2	EMOLS-id_320128838,MCULE-7468336048	301.407	KWJGTBWTTZJSHM-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-037038
CCc1cccc(n1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319037605	301.407	BCMBPROMWNOGTF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037039
CCc1ccnc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320035752,MCULE-7614027899	301.407	OWDIODPWJFVNAW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037040
CCc1ccncc1NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319580001	301.407	JOMPTMXJRUVOAE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037041
CCc1nnc(c(c1)C(=O)N1CCCc2c(C1)ccs2)C	EMOLS-id_318229921	301.407	KYYVDRYVLIPGRE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037042
CC(C)[C@@H]1SCC(=Nc2c1cnn2Cc1ccccc1)O	PC-id_136669546,ZINC22_79473633	301.407	INOPJZBOGCIHDA-HNNXBMFYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-037043
CC(C)[C@H]1SCC(=Nc2c1cnn2Cc1ccccc1)O	ZINC22_79473628,PC-id_136669545	301.407	INOPJZBOGCIHDA-OAHLLOKOSA-N	00000000100000110111000000000010000000000000000000000000	31-01-037044
CCC(=O)c1ccc(cc1)Sc1nnc2n1CCCCC2	PC-id_108308650	301.407	YRILSAOOUSIVQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037045
CCC(=O)c1ccccc1Sc1nnc2n1CCCCC2	PC-id_115994753	301.407	INLCDOASXLIXGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037046
CCNc1cccnc1C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319196078	301.407	FNGIBZAZPSZHGT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037047
C/C(=NNC(=O)c1cc2c(s1)CCCCC2)/c1ccc[nH]1	PC-id_135731455	301.407	LWGGPSOCUMIRPJ-WOJGMQOQSA-N	00000000110000000100000000000010000000000000000000000000	31-01-037048
CC(=O)Nc1nc2c(s1)CCN(CC2)Cc1ccccc1	PC-id_19985779,SCHEMBL7292357	301.407	DHFPOQSMTHKIIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037049
Cn1ncc2c1CN(C(=O)c1cc3c(s1)CCCCC3)C2	ZINC22_623231247	301.407	PJDSNKJZGMDFIB-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-037050
CN(C(=O)c1cc2c(s1)CCCCC2)Cc1ncccn1	EMOLS-id_319765031	301.407	HBHPOLJBFMPMPC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037051
CNC(=O)c1nc2c(s1)CCN(CC2)Cc1ccccc1	PC-id_97410606	301.407	NRFHEDJFQKPAJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037052
CSc1cccc(NC(=O)c2n[nH]c3CCCCCc23)c1	MCULE-4016201477,EMOLS-id_323249338	301.407	ARGNXPMMNCGPEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037053
Nc1ccc(cc1)CC(=O)Nc1nc2c(s1)CCCCC2	PC-id_119700431	301.407	TZGZSELGRSMZCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037054
Nc1ccc(c(c1)C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_120619567	301.407	RDEZKSCLGNMDHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037055
Nc1cccc(c1)C(=O)Nc1sc2c(n1)CCCCCC2	MCULE-6131290451,EMOLS-id_302126895,PC-id_119743821	301.407	IUCSGUZMFIFIOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037056
Nc1cccc(n1)CNC(=O)c1cc2c(s1)CCCCC2	MCULE-7220487908,EMOLS-id_320057643	301.407	OWLOAAJDIWMHAD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037057
Nc1cnc(c(c1)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_115910700	301.407	IVSYRPDOXLGNPS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037058
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1O	SCHEMBL7291889,PC-id_19985725	301.407	JNDCEECLFNLOCU-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037059
NCc1ccc(cc1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_301282208,PC-id_119277033,MCULE-9088617914	301.407	FLNDDAGCFITKCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037060
N#Cc1c(NC(=O)C(=C2CNC2)C)sc2c1CCCCC2	PC-id_116677293	301.407	JSFAFRMQPRDXFW-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-037061
N#CCCN(CCC#N)C(=O)c1cc2c(s1)CCCCC2	MCULE-8821046156,PC-id_51188775,ZINC22_69741429,EMOLS-id_53747427	301.407	NPTQZXHNXWGWNM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037062
O=C1CCC(c2c(N1)ccs2)N(CCc1ccccn1)C	PC-id_139709948	301.407	YUKCHQYIRSXKGX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037063
Oc1ccc(cc1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7283513,PC-id_19985937	301.407	NAMKVVOVHHMUKD-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037064
Oc1cccc(c1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7285880,PC-id_19985731	301.407	UVYGPHJIUREFFQ-DUXPYHPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037065
Oc1cc(CN2CCCc3c(C2)ccs3)nc(n1)C1CC1	EMOLS-id_318679324	301.407	OAUPMNRAYNFRFP-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-037066
O=C(c1cc2c(s1)CCCCC2)NC1(CC1)c1ncc[nH]1	EMOLS-id_319207073	301.407	XDQKXAUHAIXBAT-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037067
O=C(c1cc2c(s1)CCCCC2)NCCc1ncccn1	EMOLS-id_319400651	301.407	XFGKUKSNVMAWGB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037068
O=C(c1cc2c(s1)CCCCC2)N[C@H](c1cnccn1)C	EMOLS-id_320090544,MCULE-8825125697	301.407	UXWDJGQOGUHJJW-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-037069
O=C(c1ccccc1)CCSc1nnc2n1CCCCC2	PC-id_115659146	301.407	KGIQZTNDEXMBGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037070
O=C(c1cccnc1C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110207093	301.407	RXGCIKHTWOAJCO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037071
O=C(c1cnccc1C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111153900	301.407	KFUDIGSWBSVTJD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037072
O=C(c1ncccc1C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111707782	301.407	USPJDJKPWCTMTR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037073
O=C(c1sc2c(c1)CCCCCC2)Nc1ccnnc1C	EMOLS-id_99068507	301.407	BSDDZOIKZRSECM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037074
O=C(C(c1ccccc1)N)Nc1nc2c(s1)CCCCC2	EMOLS-id_302061275,PC-id_119277039,MCULE-7038678296	301.407	QBQHGMKCYODIJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037075
O=C(C(c1ccccn1)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_98050255	301.407	GULMPRAHARVESC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037076
O=C(C(c1ccncc1)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_319569039	301.407	DLZLWEKETJCDRQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037077
O=C(CCc1ccncc1)Nc1nc2c(s1)CCCCC2	PC-id_45896953,MCULE-3538324414,CoCoCo_4912863,EMOLS-id_31891949,ZINC22_40116139	301.407	VWKMIAAYHYJPFV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037078
O=C(CN1CCCc2sccc2C1)NCc1cccnc1	PC-id_56787386,MCULE-9924382543,ZINC22_71897111,EMOLS-id_36971007	301.407	PDWMMZLMPBNNEW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037079
O=C(N1CC(C1)c1ncc[nH]1)c1cc2c(s1)CCCCC2	EMOLS-id_319157360	301.407	PGECQFIOXFZHQV-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-037080
O=C(N1CCCc2c(C1)ccs2)[C@@H](Cc1ccccn1)N	EMOLS-id_318740721,MCULE-8963750239	301.407	XZVZWKGBVJUJNM-CQSZACIVSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037081
O=C(N1CCCc2c(C1)ccs2)[C@H](Cc1ccncc1)N	MCULE-9897978591,EMOLS-id_318539319	301.407	GYKBWLHHARXXOA-AWEZNQCLSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037082
O=C(N1CCCc2c(C1)ccs2)Nc1c(C)cncc1C	EMOLS-id_319936139,MCULE-2386849627	301.407	UIFDKYGXZBXWNY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037083
O=C(N1CCCc2c(C1)ccs2)NCCc1ccccn1	EMOLS-id_318076111	301.407	HYXBXSNCXWIFQK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037084
O=C(N1CCCc2c(C1)ccs2)NCCc1cccnc1	EMOLS-id_318588892	301.407	NRMRHMMBUFPWAE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037085
O=C(N1CCCc2c(C1)ccs2)NCCc1ccncc1	EMOLS-id_318419405	301.407	KORNJTNEFUIJFZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037086
O=C(N1CCCCc2c1sc(n2)C)Cc1cnccc1C	EMOLS-id_318910441	301.407	KMTQOGWFHBRTFK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037087
O=C(N1CCCCc2c1sc(n2)C)CCc1cccnc1	EMOLS-id_319511917	301.407	UQRFPRCDEUDANJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037088
O=C(N1CCCCc2c1sc(n2)C)CCc1ccncc1	EMOLS-id_319194357	301.407	DWVNEJNKAULDJQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037089
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccccc1	CoCoCo_2552413,PC-id_20966634,EMOLS-id_16329850,MCULE-2151745833	301.407	DUYGMHUAVNYSDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037090
O=C(Nc1sc2c(n1)CCCCCC2)Cc1ccncc1	EMOLS-id_317979572	301.407	ZFMHVPGVNBZORJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037091
s1c2CCCCCc2cc1C(=O)N(c1c(N)cncc1)C	PC-id_61360185	301.407	OWZJIVIHERLNKS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037092
s1c2CCCCCc2cc1C(=O)Nc1ncc(N)c(c1)C	PC-id_61292963	301.407	JIJXRZADAFIGSH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037093
s1c2CCCCCc2cc1C(=O)NNC(=C1N=CC=C1)C	PC-id_8159712	301.407	DHBQPJOSCNDZBL-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-037094
s1c2c(CCCCC2)c(c1NC(=O)C1CC(N)C=C1)C#N	PC-id_79209932	301.407	FHTSTTGAWFHZAE-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-037095
s1c2c(CCCCC2)c(c1N)C(=O)NCc1ccncc1	PC-id_20109797	301.407	VGEBGJWGUFYCNC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037096
s1c2c(CCCCC2)c(c1N)C(=O)NCc1ncccc1	PC-id_20109796	301.407	NJRJZBITFDHVNT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037097
s1c2c(CCCCC2)c(c1N)C(=O)NNc1ccccc1	PC-id_54587438	301.407	FARKWONVOBFXJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037098
s1c2CCCCCc2nc1NC(=O)CCc1cccnc1	PC-id_24611789	301.407	KWHUIDBKKMUONS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037099
s1c2CCN(CCc2nc1N)CC=Cc1ccc(O)cc1	PC-id_54100983	301.407	NAMKVVOVHHMUKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037100
s1c2CCN(CCc2nc1N)CC=Cc1cc(O)ccc1	PC-id_54375116	301.407	UVYGPHJIUREFFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037101
s1c2CCN(CCc2nc1N)CC=Cc1c(O)cccc1	PC-id_53964300	301.407	JNDCEECLFNLOCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037102
s1c2c(nc1Nc1ccc(cc1)C)CC(CNC2=O)(C)C	PC-id_23907602	301.407	FCUQLNJCHKINRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037103
s1c2c(nc1Nc1cc(ccc1)C)CC(CNC2=O)(C)C	PC-id_24076341	301.407	LERSNUKWCGRRQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037104
S(c1n2CCCCCc2nn1)C(C(=O)c1ccccc1)C	PC-id_43413553	301.407	UVDSSNZPZIIALF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037105
S(c1n2CCCCCc2nn1)CC(=O)c1cc(ccc1)C	PC-id_43802372	301.407	WUSQYESFTIBZEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037106
S(c1n2CCCCCc2nn1)CC(=O)c1c(cccc1)C	PC-id_43802375	301.407	KZPUZEFHHZZAKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037107
S(c1n2CCCCCc2nn1)CC(=O)Cc1ccccc1	PC-id_43802374	301.407	MWFWKTIAZTZOOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037108
CC(C)N(C)Cc1nnc2CCN(CCn12)S(=O)(=O)C	ZINC22_96058961,PC-id_97381617,EMOLS-id_46148219	301.408	IHWNAQATOILEBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037109
Cc1ccc(c(c1)C(=N)N)Sc1nnc2n1CCCCC2	PC-id_107931149	301.41	BMMZPVNJKQFQNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037110
Cc1cc(nc(n1)C1CC1)Sc1nnc2n1CCCCC2	EMOLS-id_110847983	301.41	HUMGCRHCFHHRSF-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-037111
N#Cc1ccc(s1)CNC(c1nnc2n1CCCCC2)C	PC-id_115675528	301.41	JVTCVWSNTAVHSS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-037112
N#Cc1csc(CNCCc2nnc3n2CCCCC3)c1	EMOLS-id_276219492,ZINC22_177683762,MCULE-1017726505	301.41	IBRXKGAOJSAOOR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-037113
NC(=N)c1cccc(c1Sc1nnc2n1CCCCC2)C	PC-id_107110996	301.41	HHXJQAQEDVLIHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037114
NC(=N)Nc1sc2c(n1)CN(CCC2)Cc1ccccc1	PC-id_58695896,SCHEMBL3532993	301.41	SABCLZIQZNALTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037115
s1c2CN(CCCc2nc1N=C(N)N)Cc1ccccc1	PC-id_10424959	301.41	QPXTYWNWVFUERY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037116
S1C(=C(c2n3CCCCCc3nn2)C#N)N(C(=C1)C)CC	PC-id_4549660	301.41	DZXIXLZDTGFGOV-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-037117
s1c(CNC(c2n3CCCCCc3nn2)C)cc(c1)C#N	PC-id_79538474	301.41	SQOPSYWYSDCIJB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-037118
S(c1n2CCCCCc2nn1)c1c(ccc(c1)C)C(=N)N	PC-id_62306988	301.41	RQHLXJQGOYKOBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037119
S(c1n2CCCCCc2nn1)c1c(cc(cc1)C(=N)N)C	PC-id_60929100	301.41	YAGAQRCYKLUFQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037120
S(c1n2CCCCCc2nn1)c1cc(c(cc1)C(=N)N)C	PC-id_81269799	301.41	SXUUPPXQSFFVKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037121
S(c1n2CCCCCc2nn1)Cc1cc(ccc1)C(=N)N	PC-id_28529757	301.41	QVTHTFSJYJMCPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037122
S(c1n2CCCCCc2nn1)Cc1ccc(cc1)C(=N)N	PC-id_29038776	301.41	JLMBBPXPXBAPCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037123
S(c1n2CCCCCc2nn1)Cc1c(cccc1)C(=N)N	PC-id_29790818	301.41	RKCJJWUNMDLLSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037124
CCOC(CN1CCSc2c(C1=O)ccs2)OCC	SCHEMBL9039793,PC-id_19881092	301.425	DXPPOXMLKPYPEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037125
CCS(=O)(=O)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_111744253	301.425	XTNTZSQUTRJLKM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037126
N=C1C=CC(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)C=C1	PC-id_101439611	301.425	BLDNDNOSDRPTAZ-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-037127
O=c1sc2c(n1CC1CCS(=O)(=O)C1)CCCCC2	EMOLS-id_100803365	301.425	WLFFEAIEWXDGOX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-037128
O=S(=O)(N1CCCc2c(C1)ccs2)CC1COCC1	PC-id_102554487	301.425	BXSRXYLGTWMNDL-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-037129
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C12CCC(C1(C)C)CC2	EMOLS-id_319594234	301.426	QUGXVORELKHEAP-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-037130
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)C1CCCCC1	MCULE-7134422021,EMOLS-id_319938410	301.426	DLUMIDVBWGNQNC-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-037131
Cc1nn(c2c1C(=NCC1CCOCC1)CCCC=CC2)C	PC-id_91198672	301.426	GMAULVLBPMBGGX-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-037132
Cc1n[nH]c2=CC=CCCC(=c12)OC1CCN(CC1)C(C)C	PC-id_90848244	301.426	HVZUKLSJODVXAR-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-037133
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CNCCCn1cc(c2=CC=CCC(=c12)OC)CNC1CC1	SCHEMBL18508924	301.426	KVKZCJGBKXUFPR-UHFFFAOYSA-N	00100000100000000110000000000010000000000000000000000000	31-01-037135
O=C(NCCC1=CCCCC1)Cn1nc2CCCCCc2c1	PC-id_53298258	301.426	GHLQYHGTYBEGAQ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-037136
CCCOc1c(C(=O)OC)c2-c(c1C(=O)OC)ccccc2	PC-id_141346794	302.322	GJAMPHXNKSOQRQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037226
s1c2CCCCCc2cc1C(=O)C(c1sccc1)C#N	PC-id_62501904	301.426	AUBQMQXIOBLJIY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-037137
c1(CN(C)CCCn2ccnc2C)c2CCCCCc2[nH]n1	EMOLS-id_55673767,MCULE-7509948222,ZINC22_252481524,PC-id_91838715	301.43	CNLGDFHHDLOVPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037138
Cc1cc(C)n(C[C@H](C)NCc2n[nH]c3c2CCCCC3)n1	PC-id_95220826,ZINC22_67879760	301.43	PKOPWEQGPXAZHN-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037139
Cc1cc(C)n(C[C@@H](C)NCc2n[nH]c3c2CCCCC3)n1	ZINC22_67879758,PC-id_95220825	301.43	PKOPWEQGPXAZHN-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037140
Cc1n[nH]c(C)c1Cc1nnc2CCC(CCn12)C(C)(C)C	EMOLS-id_337646820	301.43	USSOMKOZMHPCCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037141
Cc1n[nH]c(C)c1Cc1nnc2n1CC[C@H](C(C)(C)C)CC2	ZINC22_2100555505	301.43	USSOMKOZMHPCCH-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037142
Cc1n[nH]c(C)c1Cc1nnc2n1CC[C@@H](C(C)(C)C)CC2	ZINC22_2100555506	301.43	USSOMKOZMHPCCH-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037143
CCc1nccn1CC(C)NCc1n[nH]c2CCCCCc12	PC-id_50949093,MCULE-8290925012,EMOLS-id_32369770	301.43	WREIPLOPFUQSKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037144
CCc1nccn1C[C@@H](C)NCc1n[nH]c2c1CCCCC2	PC-id_95188117,ZINC22_67433628	301.43	WREIPLOPFUQSKZ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037145
CCc1nccn1C[C@H](C)NCc1n[nH]c2c1CCCCC2	ZINC22_67433634,PC-id_95188118	301.43	WREIPLOPFUQSKZ-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037146
CCC(n1ccc(n1)CN1CC(C)Cc2c(C1)cn[nH]2)CC	EMOLS-id_319763707	301.43	MNXDQEZNIMGUMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037147
CC(Cn1nc(C)cc1C)NCc1n[nH]c2CCCCCc12	PC-id_56718473,MCULE-5829606247,EMOLS-id_36457361	301.43	PKOPWEQGPXAZHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037148
CCc1ccc(nc1)CC(c1cc2c(s1)CCCCC2)O	PC-id_115822322	301.446	FWYIVGAAPYUVIB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037149
CCOc1cccc(c1)C(c1cc2c(s1)CCCCC2)N	PC-id_105022399	301.446	FVIGYZQWDFWTCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037150
CCOc1ccccc1C(c1cc2c(s1)CCCCC2)N	PC-id_115853755	301.446	OSRNOVIOLKUEMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037151
COc1cccc(c1)C(c1cc2c(s1)CCCCC2)NC	PC-id_115785734	301.446	DDQXSAPMNDUACO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037152
COc1ccccc1C(c1cc2c(s1)CCCCC2)NC	PC-id_115793108	301.446	PZIPBPBSPKOKHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037153
s1c2c(CCCCC2)cc1C(N)c1c(cc(OC)cc1)C	PC-id_43464456	301.446	RHUILNZJBMFNBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037154
s1c2c(CCCCC2)cc1C(N)c1cc(c(OC)cc1)C	PC-id_43464854	301.446	STNTXVCMXUALFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037155
s1c2c(CCCCC2)cc1C(N)c1ccc(OCC)cc1	PC-id_43464040	301.446	BAKNIIFAPXUTOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037156
s1c2c(CCCCC2)cc1C(N)c1c(OC)ccc(c1)C	PC-id_43626108	301.446	OSPUUKYBFUZGHC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037157
s1c2c(CCCCC2)cc1C(NC)c1ccc(OC)cc1	PC-id_43481605	301.446	XHOLCRRLDCMTCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037158
s1c2c(CCCCC2)cc1C(N)Cc1ccc(OC)cc1	PC-id_61079423	301.446	YWZBHGRNHWSTMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037159
s1c2c(CCCCC2)cc1C(N)Cc1cc(OC)ccc1	PC-id_61079065	301.446	ZOHWVJFQSYDYDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037160
s1c2c(CCCCC2)cc1C(N)Cc1c(OC)cccc1	PC-id_61079071	301.446	ZNQCPLPBZYUVGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037161
s1c2c(CCCCC2)cc1C(O)C(CN)c1ccccc1	PC-id_65186443	301.446	WQEMJUVXIJIRMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037162
s1c2C(Oc3cc(c(c(c3)C)C)C)CCN(Cc2cc1)C	PC-id_68413321	301.446	RLUUUKPPGQTVMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037163
c1(C#N)c2CCCCCc2sc1N=CN1CCCCCC1	PC-id_880323,MCULE-8715070595	301.45	AHSLLYHWIIGSFA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037164
CCCNC(c1cc2c(s1)CCCCC2)c1cnccn1	PC-id_115860377	301.45	XKMACSKEPKZYGO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037165
CCCNC(c1cc2c(s1)CCCCC2)c1cncnc1	PC-id_115827104	301.45	ISBYJLVEVGYXAR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037166
Nc1nc2c(s1)CCN(CC2)CCCCc1ccccc1	PC-id_19985910,SCHEMBL7292227	301.45	IYWKACLBZJWJDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037167
N#Cc1c(/N=C/N2CCCCCC2)sc2c1CCCCC2	CoCoCo_788358,EMOLS-id_25915310,ZINC22_450662,TIMTEC38948,STOCK2S-26805,PC-id_9586676	301.45	AHSLLYHWIIGSFA-CPNJWEJPSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037168
N#Cc1c(/N=CN2CCCCCC2)sc2c1CCCCC2	CoCoCo_788359	301.45	AHSLLYHWIIGSFA-UYRXBGFRSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037169
CNC(c1cc2c(s1)CCCCC2)CCS(=O)(=O)C	PC-id_115848514	301.468	YFRUPRMTWSIGNI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037170
NC(c1cc2c(s1)CCCCC2)CCCS(=O)(=O)C	PC-id_115821012	301.468	MUDNHHOWLAQQKH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037171
ClC(Cl)(Cl)C(=O)c1c2-c(c(c1)CC)ccccc2	PC-id_86252814	301.596	NRNIBYYAKMVUCB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037172
ClC(Cl)(Cl)C(=O)c1c(c(c2-c1ccccc2)C)C	PC-id_11962130	301.596	CYKFZRJCFNXVEC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037173
Clc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2C(=O)N	SCHEMBL14258958,PC-id_59687159	301.771	WMPDJGPDZCQSHC-PKNBQFBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037174
Clc1ccc(C=C2CCCCc3c2n[nH]c3C(=O)N)cc1	PC-id_72358526	301.771	WMPDJGPDZCQSHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037175
N#Cc1ccc(cc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318437910	301.774	PWBPYPRKRCJDFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037176
N#Cc1c(cccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318607485	301.774	NWWVZRTUQSFALW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037177
N#Cc1cc(ccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318712964	301.774	NJKYNMUURLVCPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037178
N#Cc1ccc(c(c1)Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318719307	301.774	TUGDUEYTIUZJLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037179
N#Cc1cccc(c1NCc1nnc2n1CCCCC2)Cl	EMOLS-id_318435863	301.774	GQRYQRMQLVVZAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037180
N#Cc1ccc(cc1NCc1nnc2n1CCCCC2)Cl	EMOLS-id_318438166	301.774	OFJDWFIXBBAXAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037181
N#Cc1cc(Cl)ccc1NCc1nnc2n1CCCCC2	EMOLS-id_318439190	301.774	ANGAJMYWLSRVRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037182
N#Cc1cc(ncc1Cl)NCc1cnc2n1CCCCC2	EMOLS-id_318562391	301.774	FHEYPLOGOYUDIN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037183
c1(NC(=O)CCl)sc2c(CCCCC2)c1C(=O)OC	PC-id_3864537,CoCoCo_3761917,TIMTEC401319,MCULE-2095444532,EMOLS-id_841933	301.789	QHLZGKBAMUAJHD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037184
CC(C)(CCl)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625320	301.792	LAXUUWFXIUABRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037185
Clc1sc(nn1)CSc1n2CCCCCc2nn1	PC-id_80607691	301.819	VSDPYLFQALIUMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037186
Clc1snnc1CSc1nnc2n1CCCCC2	ZINC22_12771505,PC-id_24234445,CoCoCo_4173184,MCULE-9726860100,EMOLS-id_17167579	301.819	NDKUGFLXWJISOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037187
ClCCOCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_113271783	301.832	FACQEERJELDAMQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037188
COCC(CNC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_114298736	301.832	NJRIHUNWAAYBDY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037189
COCC(NC(=O)c1cc2c(s1)CCCCC2)CCl	PC-id_106183356	301.832	OJDPTCPCOHFWJG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037190
[B](C)C1=CN(I=CC2=C1C=NN2)OC	PC-id_160422801	301.996	LSQLZQSVUTWRNL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-037191
C[Si](C)(C)C#CC1=CC2=CC=CC=CC2=C1Br	PC-id_164676027	302.013	GKKGBZVOONSIDF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037192
C1=CC2=C(C(=C(C2=CC=C1CC(=O)NO)C(=O)[O-])N)C(=O)[O-]	PC-id_153739339	302.055	JAUHHMZMYJDWDL-UHFFFAOYSA-L	00000010100000000110000000000010000000000000000000000000	31-01-037193
CCC1N(C)B(C)N(C(C)C)B(Nc2n(C1(C)C)ccc2)C	PC-id_144358520	302.074	AWNQKFZMVDSLDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037194
CC1=C2C(=C(S1)C)OCCOCCOCCOCCO2	PC-id_163785993	302.119	MSONYSKKELVRNV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037195
CC1=NC=CC(=N1)NC(=O)CN2C(=O)N3CCCCCC3=N2	PC-id_154807952	302.149	IRRJAYPJHUEWLK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037196
COC1=C(N=CC=C1)CNC(=O)C2CCC3=NN=NN3CC2	PC-id_154800200	302.149	ZCFISGFDPGBZJY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037197
BrC1CCCCCc2c1noc2C(=O)OCC	PC-id_42632086	302.164	NUCMANHXACCMMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037198
BrCc1c(c2-c(c1C#N)ccccc2)C(=O)CC	PC-id_11150800	302.166	FHBQCMIKDBNHTL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037199
CC(C)(CN1CCc2cc(nn2CC1=O)Br)O	SCHEMBL20516755,PC-id_135342470	302.168	GFTQYELEBMISKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037200
CCOC(=O)c1c(Br)nn2CCCCCNc12	EMOLS-id_324022218	302.168	MKQXIXRYUMIHFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037201
Brc1c2-c(c(c1/N=C/N(C)C)C#N)ccccc2	PC-id_44139130	302.169	URUPUSREXJECTP-RQZCQDPDSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037202
O=C(c1cnc2n1CCCCC2)NC1CC(C1)(Cl)Cl	EMOLS-id_319925083,MCULE-2912366310	302.2	VDJVRLKVIPKIKX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-037203
CCCOC(=O)c1c(OC)c(c2-c1ccccc2)C(=O)OC	PC-id_141346799	302.322	SRANNKSSRLGYQE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037227
O=C(c1n[nH]c2c1CCCCC2)NC1CC(C1)(Cl)Cl	EMOLS-id_320327222,MCULE-6723009862	302.2	XJCGOWXNUPTNLP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-037204
BrCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_43133380,EMOLS-id_37516066	302.231	GRQMKQHZOQHUPQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037205
[se]1n[n+](c2CCCCCCc12)CC(=O)OCC	PC-id_639981	302.251	QGEPIFDXMAPMFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037206
CC(=O)OC1COc2c(OC1)c(sc2C(=O)O)C(=O)O	PC-id_21958356,SCHEMBL5037638	302.257	LZGXDQKQLYLULZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037207
c12c(n(cn1)CCCCCP(=O)(O)O)NC=NCC2O	BindingDB_PC-id_10804291,PC-id_10804291,CHEMBL35767	302.267	UYSKSJQPHSRMLM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-037208
P(=O)(O)(O)CCCCCn1c2C(O)CN=CNc2nc1	PC-id_10518443	302.267	RVBANGFPXSTMBP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-037209
Brc1sc2c(n1)CCCCCCCCCC2	PC-id_112623648,EMOLS-id_314826450	302.274	GNCOIJXWBKUWDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037210
FC(CC(C(=O)O)NC(=O)c1noc2c1CCCCC2)F	PC-id_121956437,EMOLS-id_72621801,MCULE-2722862589	302.274	RZDZHSSWFDGOFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037211
O(c1c2-c(c(c1)C(=O)OC)cccc(OC(=O)C)c2)C(=O)C	PC-id_12794373	302.279	UCISNUBNTAALAI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037212
O(c1c2-c(c(c1)C(=O)OC)cc(OC(=O)C)ccc2)C(=O)C	PC-id_12794372	302.279	CQNKHDKKFCCBQU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037213
C1CN(CCn2c1n[nH]c2=O)C(=O)c1cc2c(cc1)OCO2	PC-id_91922351,MCULE-9870951124,EMOLS-id_50586453	302.285	BUTMRCZGFWUTFL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-037214
N#CCOCc1nnn2c1CN(CCC2)C(=O)c1ncn[nH]1	PC-id_97410132	302.292	SAKKTYCHRFCAKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037215
O=C(c1noc2c1CCCCC2)NCC1(CC1)C(F)(F)F	EMOLS-id_98798618	302.292	JVJDRUCYGWLSTH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-037216
O=C(C1CCn2c(CC1)nnc2)NCC1(CC1)C(F)(F)F	EMOLS-id_319168494	302.295	CJQUXJBMDZUYKA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-037217
O=C(N1CCCC1C(F)(F)F)C1CCn2c(CC1)nnc2	EMOLS-id_257983454,MCULE-2693187256	302.295	JCAGESBVJKRFAO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-037218
C1CCC(=O)c2c(C1)[nH]cc2N(C=O)c1c(cc(cc1)O)F	PC-id_88137256,SCHEMBL7398087	302.3	UBANLSHKSYYYOK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037219
COC(=O)c1sc(c2c1OCCOCCO2)C(=O)OC	SCHEMBL14587291,PC-id_58807321	302.3	XLCGTAKYNRRJBC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037220
Fc1c(NC(=O)c2c3c([nH]c2)CCCCC3=O)ccc(O)c1	SCHEMBL7362143,PC-id_53642789	302.3	AHEVCVRSGULLIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037221
OCC1CCOc2c(O1)c(sc2C(=O)OC)C(=O)OC	PC-id_140278274	302.3	QEHWVDYRGBTBQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037222
NOC(=O)CC1(COc2c(OC1)csc2)CN1OCO1	PC-id_68016716,SCHEMBL10046631	302.304	DVAKARXTSBWBSK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-037223
c1(NC(=O)C(F)(F)F)sc2c(CCCCCC2)c1C#N	MCULE-9983337425,TIMTEC175419,PC-id_4229678,CoCoCo_6791462,ZINC22_5382531,EMOLS-id_3991985	302.315	GPKRACQNHJIJSM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037224
CNC(=O)OC1CCc2nnn(c2C(CC1)(F)F)C(C)C	PC-id_140906899	302.32	GKXBECVJXAVGRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037225
N#Cc1cc(CN2CCCc3c(C2)cnn3C)c(cc1F)F	MCULE-9658004898,EMOLS-id_320330896	302.322	CNZGNEICIMQJPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037231
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)N	PC-id_102239208	302.325	PTGBDVTUHAXSEY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037232
COc1ccnc(c1C(=O)N1CCCc2c(C1)cco2)OC	EMOLS-id_316704030	302.325	IAEBQRKLDSEHNZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037233
COc1cn(C)c(cc1=O)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319988520,MCULE-2571777099	302.325	ZCEBOFZWDSOORV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037234
o1nc2n(C(CCCC2)Cc2ccc(cc2)C(=O)OC)c1=O	PC-id_22901423	302.325	MNWWVLWCPMHOIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037235
o1n(c(=O)c2c1CCCN(C2)C(=O)OC)Cc1ccccc1	PC-id_71563042	302.325	LKNVNPLWHZZODQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037236
o1n(c(=O)c2CCN(CCc12)C(=O)OC)Cc1ccccc1	PC-id_71562798	302.325	JPPJGUMXBXQNII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037237
o1nc(OCc2ccccc2)c2CCN(CCc12)C(=O)OC	PC-id_71562918	302.325	UTPURBJUPOROIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037238
Oc1ccc(c(c1)O)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_319780101	302.325	PCSTTWCPIIIUNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037239
O=C(c1noc2c1CCCCC2)NCc1cccc(c1O)O	EMOLS-id_319770201	302.325	IWQUQPMAJQQMPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037240
O=C(OCCOc1cccnc1)c1noc2c1CCCCC2	EMOLS-id_50354361,MCULE-8433996000,ZINC22_158933313,PC-id_91650346	302.325	AIWBXPQOWIFESL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037241
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1cc[nH]c1	PC-id_56884576,ZINC22_72423333,EMOLS-id_43067335,MCULE-2904513651	302.328	RKNRTWLFNBZUFE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-037242
c12CN(CCCn1nc(CO)c2)C(=O)c1cc(ccn1)CO	PC-id_91796326,MCULE-8610784253,EMOLS-id_55707484	302.328	IMEVHFPJYCROEL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037243
C1Cc2n[nH]c(=O)n2CCC1NC(=O)COc1ccccc1	EMOLS-id_50586165,MCULE-8293603603,PC-id_91922652	302.328	JOEXVEZAZHBPDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037244
C1CN(CCn2c1n[nH]c2=O)C(=O)COCc1ccccc1	PC-id_91922368,MCULE-6525987561,EMOLS-id_50589911	302.328	HTEPTRPLWKIHTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037245
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CNC(=O)c1ccco1	EMOLS-id_318881847	302.328	LRSJCUYCARZQQU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037246
Cc1nn(C)cc1CNC(=O)c1cc2c(o1)CCCNC2=O	ZINC22_1875280673	302.328	NDRPBEOXPLVHIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037247
Cc1noc(n1)C1CN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100907781	302.328	YZJRQVRVPSLCDN-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-037248
Cn1cc(c(n1)CNC(=O)c1coc2c1C(=O)NCCC2)C	EMOLS-id_319085739	302.328	IEGIBQZGHXFFMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037249
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1cocn1	EMOLS-id_313809198	302.328	HCRNEGZUZKMRPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037250
CNC(=O)C[C@H]1CN(C(=O)c2cocn2)Cc2cccn2C1	ZINC22_585099061	302.328	HCRNEGZUZKMRPF-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037251
CNC(=O)C[C@@H]1CN(C(=O)c2cocn2)Cc2cccn2C1	ZINC22_585099062	302.328	HCRNEGZUZKMRPF-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-037252
COc1ccc(c(c1)O)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319686410	302.328	RBERLILLXLRJBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037253
COc1cccc(c1O)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319737621	302.328	KFSBRTBOBPGVGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037254
COc1cc(CN2CCn3c(CC2)nnc3)cc2c1OCO2	CoCoCo_1189583,CoCoCo_1189584	302.328	SYUWQFSEIKHGRW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-037255
COc1cc(O)ncc1C(=O)N1CCCc2c(cnn2C)C1	MCULE-4275109606,EMOLS-id_316945850,PC-id_136565395,ZINC22_822605508	302.328	PJLXTFZNTIYQSG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037256
COc1cc(=O)[nH]cc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319226690	302.328	FQFNWCWRCLGBAL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037257
COC1CN(Cc2ccnn2C1)C(=O)c1cc(on1)C1CC1	EMOLS-id_50010232	302.328	XNJZEJJGZUAUPT-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037258
COc1ncccc1CN1Cc2ccnn2C[C@H](C(=O)O)C1	ZINC22_2325780056	302.328	DZWKKUJDPPTNMO-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037259
COc1ncccc1CN1Cc2ccnn2C[C@@H](C(=O)O)C1	ZINC22_2325780057	302.328	DZWKKUJDPPTNMO-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037260
COc1ncccc1C(=O)N1Cc2ccnn2CCC1CO	EMOLS-id_313817390	302.328	SRCZVSJUEDHZFD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037261
COc1ncccc1C(=O)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585098050	302.328	SRCZVSJUEDHZFD-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037262
COc1ncccc1C(=O)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585098052	302.328	SRCZVSJUEDHZFD-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037263
COCc1ccnc(n1)NC(=O)N1CCCc2c(C1)cco2	MCULE-5180201554,EMOLS-id_320327029	302.328	POZRRHMVMLEMRR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037264
CO[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn2C1	ZINC22_247907994	302.328	XNJZEJJGZUAUPT-GFCCVEGCSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037265
CO[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn2C1	ZINC22_247907995	302.328	XNJZEJJGZUAUPT-LBPRGKRZSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037266
O(C1Nc2n(Cc3ccc(OC)cc3)cnc2C(=O)NC1)C	PC-id_71770022	302.328	XZGLXKDIRYKAJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037267
O(C1Nc2ncn(c2C(=O)NC1)Cc1ccc(OC)cc1)C	PC-id_71770153	302.328	LEMAXPOATZAZHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037268
O=C(c1cc(C2CC2)on1)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585097315	302.328	KBBWFKPGSNKKLQ-GFCCVEGCSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037269
O=C(c1cc(C2CC2)on1)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585097320	302.328	KBBWFKPGSNKKLQ-LBPRGKRZSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037270
OCC1CCn2nccc2CN1C(=O)c1cc(on1)C1CC1	EMOLS-id_313815342	302.328	KBBWFKPGSNKKLQ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037271
O=C(c1coc2c1C(O)CCC2)N1CCCn2c(C1)cnn2	EMOLS-id_319539779	302.328	WVPJPKFFPRAXFD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-037272
O=C(c1conc1C1(C)COC1)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319142533	302.328	GJYMRAHNBRGJQP-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-037273
O=C(c1noc2c1CCCCC2)N1CCc2c(C1)c(N)on2	EMOLS-id_319100325	302.328	WVOFXIRZPOXTDT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-037274
O=C(c1noc2c1CCCCC2)N1CCC(C1)c1ncon1	EMOLS-id_319249776	302.328	JWNHFQOMZNCEAI-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-037275
O=C(c1noc2c1CCCCC2)NCCn1cccnc1=O	EMOLS-id_319077665	302.328	RTJJAUJKYGNWEA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037276
O[C@@H]1CC[C@H]1n1nnc(c1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319526879	302.328	SDTXLDQGHXYSHK-CHWSQXEVSA-N	00001000100000000101100000000010000000000000000000000000	31-01-037277
O=C(N1CCCn2c(C1)cc(c2)C(=O)NO)c1n(ccc1)C	PC-id_58465715,SCHEMBL2521620	302.328	NIWTZGGYOFHMII-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-037278
c12nnnn1CCCCC2C(=O)Nn1c(C)cc(cc1=O)C	MCULE-9638746507,PC-id_56918781,EMOLS-id_43184197	302.332	NPYFWUNHPLPZJE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037279
C1(=O)N(C)CCN1CC(=O)N1CCCn2nc(C#N)cc2C1	EMOLS-id_177411574,MCULE-7325251598,ZINC22_426479664,PC-id_121501061	302.332	GPQYCAUNCYBPFT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-037280
Cc1cccc(n1)CONC(=O)C1CCn2c(CC1)nnn2	EMOLS-id_320044257,MCULE-3879789346	302.332	FYCDDNJJUAIIDZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037281
Cc1cc(C)n(NC(=O)[C@H]2CCCCn3nnnc23)c(=O)c1	PC-id_95563866,ZINC22_71777008	302.332	NPYFWUNHPLPZJE-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-037282
Cc1cc(C)n(NC(=O)[C@@H]2CCCCn3nnnc23)c(=O)c1	ZINC22_71777007,PC-id_95563865	302.332	NPYFWUNHPLPZJE-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037283
C=CCOCc1nnn2c1CN(CCC2)C(=O)c1cnc[nH]1	PC-id_97517014	302.332	GWTHWEBRYKXVGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037284
CC(C(=O)NC1CCn2c(CC1)nnn2)Oc1cccnc1	MCULE-6128070094,EMOLS-id_320150507	302.332	UGDLFQQZUCPKAK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037285
Cn1nc2CCN(CCn2c1=O)C(=O)c1cc([nH]n1)C1CC1	MCULE-3515612864,EMOLS-id_50586473,PC-id_91922538	302.332	CDFXBFVJYMGRFY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037286
CN(Cc1nnc2n1CCCCC2)c1ccc([N+](=O)[O-])cn1	CoCoCo_4892551,EMOLS-id_24956013,MCULE-4485458286,ZINC22_32927103,PC-id_40165031	302.332	HEMNPQMLQKKXSS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037287
COc1cccc(n1)CC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319770493	302.332	XPVHLYBJANIYAO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037288
COc1ccc(cn1)N(C(=O)C1CCn2c(CC1)nnn2)C	MCULE-5045087831,EMOLS-id_316879539	302.332	FZSNCCKBBXVQOA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037289
COc1cccc(n1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318768210	302.332	DOHYHPWJEWJEBN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037290
COc1cccnc1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319623382	302.332	XCTIMFDTNFKICT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037291
COc1ccc(N(C)C(=O)[C@H]2CCc3nnnn3CC2)cn1	ZINC22_569462734	302.332	FZSNCCKBBXVQOA-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-037292
COc1ccc(N(C)C(=O)[C@@H]2CCc3nnnn3CC2)cn1	ZINC22_569462735	302.332	FZSNCCKBBXVQOA-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037293
COc1cncc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318988289	302.332	SWYOSPWAEHHCPB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037294
COc1cnc(NC(=O)N2CCCc3c(cnn3C)C2)cn1	MCULE-6305330119,EMOLS-id_316145712,ZINC22_886075737	302.332	YLKVBLOOEJDSDA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037295
COc1ncccc1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318800822	302.332	SHFJWEWXKHRKIB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037296
COc1nccc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320082681,MCULE-4885577316	302.332	OTFRZUBZSXSPST-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037297
COc1nccc(n1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101866539	302.332	CRRGIOKDDWQMEA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037298
COc1ncncc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101963652	302.332	QOZAYMPUPVDGAI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037299
COc1ncnc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101965815	302.332	GKIPACXLLQYCKL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037300
COCC1CN(Cc2ncnn2C1)C(=O)c1cnc(C)cn1	EMOLS-id_44327145,PC-id_118739433	302.332	OPUFKRKAPXHKNS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037301
COC[C@H]1CN(C(=O)c2cnc(C)cn2)Cc2ncnn2C1	PC-id_97463600,ZINC22_96189191	302.332	OPUFKRKAPXHKNS-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-037302
COC[C@@H]1CN(C(=O)c2cnc(C)cn2)Cc2ncnn2C1	ZINC22_96189190,PC-id_97463599	302.332	OPUFKRKAPXHKNS-LLVKDONJSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037303
COC(=O)c1ccnc(n1)NCc1nnc2n1CCCCC2	EMOLS-id_319449017	302.332	GUECOVGIMAXCSW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037304
n12CCC(CCc1n[nH]c2=O)NC(=O)c1cc([nH]n1)C1CC1	PC-id_91922754,EMOLS-id_50586267,MCULE-3098458494	302.332	YXCWTFCBWBNOOL-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037305
NC(=O)c1ccc(C(=O)NCc2nnc3n2CCCCC3)[nH]1	ZINC22_1875268232	302.332	SFAWSDFDHZEJQZ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-037306
O=C(c1ncccc1O)NCCc1nnc2n1CCNCC2	EMOLS-id_36422380,PC-id_56701661,MCULE-4763988316	302.332	HBYLGLIJHNSQLS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037307
OCc1nnn2CCCN(Cc12)C(=O)CCc1cncnc1	ZINC22_1565542607,EMOLS-id_313734620	302.332	QWBHJCYNWIAWDP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037308
O=C(c1noc2c1CCCC2)NC1CCn2c(CC1)nnn2	EMOLS-id_102164485	302.332	ZFKUAPMWBSDQFX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-037309
CCc1ncc(cn1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102006936,MCULE-6680367981	302.335	FKRGYBOJFGISAP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037310
Fc1cccc(c1)CCNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318548726	302.343	VEYMKPCNCNSVPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037311
Fc1ccc(cc1)CCNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318704507	302.343	KLWLBUFFWVPXFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037312
O=C(C(N1CCCc2c(C1)cco2)C)Nc1cccc(c1)F	EMOLS-id_318472968	302.343	RHGIOYGIANJECP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037313
O=C(N1CCCc2c(C1)cco2)NCCc1ccccc1F	EMOLS-id_318506802	302.343	CMMYWOAXRPVKTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037314
O=C(Nc1ccc(c(c1)F)C)CN1CCCc2c(C1)cco2	EMOLS-id_318453587	302.343	IHKQSECDEDHBFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037315
O=C(Nc1ccc(cc1F)C)CN1CCCc2c(C1)cco2	EMOLS-id_318703885	302.343	DTJLXINQYNZHRC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037316
c12cncn1CCCN(C(=O)NCCc1ccccc1F)C2	ZINC22_72162857,PC-id_56909576,MCULE-1071118428,EMOLS-id_43158332,SCHEMBL16101860	302.347	KJQDLQKKXMXLTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037317
Cc1ccc(c(c1)C(=O)NCc1nnc2n1CCCCC2)F	EMOLS-id_318567906	302.347	KGFCHTJUEFLGGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037318
Cc1ccc(c(c1)F)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_317958083	302.347	KBAVHXQAGROAGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037319
Cc1cc(cc(c1)F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950389	302.347	ARLUQFFSFRBDOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037320
Cc1ccc(c(c1)F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101959264	302.347	BTZNMLDZZGPAEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037321
Cc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1F	MCULE-3722542088,CoCoCo_4625769,PC-id_25623833,ZINC22_12944268,EMOLS-id_18907842	302.347	LLBAMKZQCUBYKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037322
Cc1cc(F)cc(c1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_317920200	302.347	OIUSTRYSMDBQHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037323
CC1CN(Cc2c(C1)[nH]nc2)C(c1ccc(cc1)F)C(=O)N	EMOLS-id_318849753	302.347	GLRLBSOHYSQMEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037324
CC1CN(Cc2c(C1)[nH]nc2)C(=O)N(c1ccc(cc1)F)C	EMOLS-id_319679280	302.347	GVRBDTBTGXKOLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037325
CC1CN(CC(=O)Nc2cccc(c2)F)Cc2c(C1)[nH]nc2	MCULE-7658816945,EMOLS-id_319876072	302.347	UJIRFQWZNPNJBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037326
CC(c1ncccc1F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318570971	302.347	ZMAKHLMNROVSAY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037327
CCc1ncc(cc1NC(=O)c1cnc2n1CCCCC2)F	EMOLS-id_319532348	302.347	OQNSHETVJHQLSI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037328
CCCC1N(CCCn2c1ncc2)C(=O)c1ccncc1F	MCULE-5614861127,EMOLS-id_55717412	302.347	BVJHWYHTSCDYGE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037329
C[C@H](c1ncccc1F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318570715	302.347	ZMAKHLMNROVSAY-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037330
CCOC(=O)c1n(C)cc2c1CC[C@@H](NS2(=O)=O)CO	PC-id_140762706	302.347	GZZGZSLQCDVXHZ-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037331
CNc1ccc(cc1F)C(=O)N1CCCc2c(C1)cnn2C	MCULE-5237923162,EMOLS-id_316693513	302.347	LMNIPLOBXUMXDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037332
COCCS(=O)(=O)NC(=O)c1noc2c1CCCCC2	ZINC22_158920549,EMOLS-id_50354305,PC-id_99707520,MCULE-9445448795	302.347	IZOKCEUAVGOCMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037333
COC(=O)c1n(C)cc2c1CC[C@@H](NS2(=O)=O)[C@@H](O)C	PC-id_140762633	302.347	FKSPRZJMVRROOV-IONNQARKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037334
Fc1ccc(cc1)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320209517,MCULE-3905538528	302.347	XSQADYASWCIQFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037335
Fc1ccc(c(c1)C)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_318451249	302.347	DPNOYADXWIGLEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037336
Fc1cccc(c1)CN(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319298998	302.347	WODMQRJZHWGHPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037337
Fc1cccc(c1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101721993	302.347	FKWMOXCPUGDBNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037338
Fc1ccc(c(c1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101963256	302.347	SFWXJTRPYWWEFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037339
Fc1ccc(cc1)CNC(=O)N1CCCc2c(C1)cnn2C	MCULE-7078239562,EMOLS-id_101731798	302.347	XKUYKTROYIJSBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037340
Fc1ccc(c(c1)C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_318532460	302.347	GCUUZODECNOWHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037341
Fc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101959108	302.347	DUMWIIQNZNOXDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037342
Fc1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_51307453	302.347	WNSNJYYJLKSXFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037343
Fc1cncc(c1)[C@@H](NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318505574	302.347	FGTWYGONCGSTPT-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-037344
Fc1cncc(c1)[C@H](NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318582981	302.347	FGTWYGONCGSTPT-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037345
Fc1cncc(c1)C(NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318513488	302.347	FGTWYGONCGSTPT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037346
FC(c1ccccc1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_318759169	302.347	XDRPZPBANCJEMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037347
NC(=O)C(N1CCCc2c(C1)cnn2C)c1ccc(cc1)F	EMOLS-id_318099769	302.347	YFWNJMLVQQQXEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037348
O=C(c1cccc(c1C)F)NCc1nnc2n1CCCCC2	EMOLS-id_318569296	302.347	FXJXTUMCHKNUFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037349
O=C(c1ccc(c(c1)C)F)NCc1nnc2n1CCCCC2	EMOLS-id_318735759	302.347	XXHCENLZQJYJKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037350
O=C(c1cccc(c1F)C)NCc1nnc2n1CCCCC2	EMOLS-id_317919946	302.347	AZPYDJWRVALMFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037351
O=C(c1n[nH]c2c1CCCCC2)NCc1nccc(c1F)C	EMOLS-id_320119840,MCULE-9172153439	302.347	ANWCAQNRZOZWNV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037352
O=C(Cc1ccc(cc1)F)NCc1nnc2n1CCCCC2	EMOLS-id_318377256	302.347	YIDAPSRHXBPMDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037353
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)C)F	EMOLS-id_101956877	302.347	PEOXWJGMDOLENE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037354
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1C)F	EMOLS-id_101963631	302.347	TVABCNJMDBNJOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037355
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)F)C	EMOLS-id_101959153	302.347	DUDFLQWZPFMYJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037356
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1F)C	EMOLS-id_101966070	302.347	ONWMGCSUURUYMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037357
O=C(N1CCCc2c(C1)cnn2C)NCc1ccccc1F	EMOLS-id_101715224	302.347	RGQWWUYQZOSJGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037358
O=C(NCCc1nnc2n1CCCCC2)c1ccccc1F	EMOLS-id_24970526,CoCoCo_4472984,ZINC22_32872039,MCULE-7207276174,PC-id_40106456	302.347	LIKCRESFJIQPOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037359
O=C(NCCc1nnc2n1CCCCC2)c1ccc(F)cc1	ZINC22_48313977,EMOLS-id_30705359,MCULE-6654381244,PC-id_47017147	302.347	LHRGGMJSSRGKQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037360
OC(=O)c1n(C)cc2c1CCN(CS2(=O)=O)C(O)(C)C	PC-id_139462782,SCHEMBL21327918	302.347	NKKRRJCNNNFYPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037361
S(=O)(CC1n2c(noc2=O)CCCC1)CC(C)C(=O)O	PC-id_72611614	302.347	KLWPNACQQNJVFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037362
S(=O)(CC1n2c(noc2=O)CCCC1)C[C@H](C)C(=O)O	PC-id_59974993	302.347	KLWPNACQQNJVFM-WAXXGWJXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037363
COc1ccc(cc1)CN1C(=O)CC(=O)Nc2c1scc2	PC-id_139709973	302.348	NQJUAHCTCLPCBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037364
O=C1CCCc2c(N1Cc1cccc(n1)C(=O)O)ccs2	PC-id_106903714	302.348	JZRIDDKYMNQGCO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037365
O=C(c1cccc(n1)C(=O)O)N1CCCc2c(C1)ccs2	MCULE-1018092792,EMOLS-id_318319125	302.348	MIQAADWHGVDQEB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037366
O=C(c1ccnc(c1)C(=O)O)N1CCCc2c(C1)ccs2	MCULE-1386192346,EMOLS-id_318096012	302.348	LBMZFAUHNDNRCJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037367
O=C(c1cncc(c1)C(=O)O)N1CCCc2c(C1)ccs2	MCULE-2122878702,EMOLS-id_318001659	302.348	NJPMJNWSCKLGIU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037368
O=C(N1CCCc2c(C1)ccs2)c1ccc(cn1)C(=O)O	EMOLS-id_318372372,MCULE-4812957680	302.348	OWOLQLUGVUWPEJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037369
O=C(N1CCCc2c(C1)ccs2)c1ccc(nc1)C(=O)O	EMOLS-id_318372777,MCULE-2901849835	302.348	LRWYXAVNUPLMPZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037370
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)[N+](=O)[O-]	SCHEMBL5235720,PC-id_15369398	302.348	NGFUTNPZFNRAQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037371
O=C(N1CCCCc2c1ccs2)c1ccc(cn1)C(=O)O	PC-id_139709981	302.348	LCLZYMXRXGPIBW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037372
[O-][N+](=O)c1ccc(cc1)CN1CCCC(=O)c2c1ccs2	PC-id_140129246	302.348	XBWSSLSNFUCKLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037373
s1c2CCCC(=O)N(c2cc1)Cc1ncc(cc1)C(=O)O	PC-id_80149086	302.348	WIDBPNNHBUJEAI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037374
S(=O)(=O)(NC(c1n2CCCCCc2nn1)C)CC(=O)O	PC-id_43715360	302.35	LXQJPLWLINOPCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037375
c12C(=O)NCCCc1nc(NC(=O)Cc1cccnc1)s2	EMOLS-id_50139257,ZINC22_211130978,MCULE-3322040324,PC-id_72720023	302.352	MVDMQAKCHXDPSM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037376
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Nc1ccccc1	PC-id_90625531	302.352	ITXKXLDLGVAYNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037377
Nc1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)N	PC-id_58256574,SCHEMBL691608	302.352	XBFMGHBAWMRFKN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037378
N#Cc1cc2n(n1)CCCN(S(=O)(=O)c1ccccc1)C2	MCULE-7374931150,ZINC22_826805698,EMOLS-id_232849507	302.352	QURRVPQASYXIMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037379
NC(=O)c1nc2CCN(CCc2s1)C(=O)c1cccnc1	ZINC22_96146987,PC-id_97442511,EMOLS-id_44303942	302.352	QDQKGWQFQVGGQU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037380
O=C1CN(C)C(=O)c2c(N1)nc(s2)NCc1ccccc1	PC-id_142739040	302.352	AXPGZXFQSVUEAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037381
N#Cc1ncn(n1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319238063	302.355	FJSZNZKEUFTWHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037382
O=C(c1[nH]c2c(c1)scc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102160318	302.355	FDOILJMZLZHNHF-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-037383
s1c2CCCCCc2c(c1NC(=O)c1[nH]nc(n1)N)C#N	PC-id_62792142	302.355	YUQFTQJZJQHJJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037384
S(c1n2CCCCCc2nn1)c1c2nonc2c(N)cc1	PC-id_43518799	302.355	WTISZHVZGIPDGH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-037385
Nc1nc(Sc2nnc3n2CCCCC3)c2c(n1)nc[nH]2	PC-id_114788150	302.358	DMNYNBFLGYVFPV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-037386
S(c1n2CCCCCc2nn1)c1nc(nc2[nH]ncc12)N	PC-id_81914262	302.358	OMHVFADZSCRUNK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-037387
O1CCCCC=CCC(O)c2oc(cc2)C#CCCCC1=O	PC-id_24205725	302.365	MFDCNLSBMWVBIS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-037388
O=C1CCCC#Cc2ccc(o2)[C@@H](C/C=CCCCCO1)O	NSC736478	302.365	MFDCNLSBMWVBIS-CPCLXONGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-037389
CCOC(=O)c1cc(c2-c1ccccc2)/C=C/c1ccccc1	PC-id_101588842	302.366	OUDZNKURAAQIMX-BUHFOSPRSA-N	00000010100000110110000000000010000000000000000000000000	31-01-037390
CCOC(=O)c1cc(c2-c1ccccc2)C(=C)c1ccccc1	PC-id_102043375	302.366	KIMRRUNAROFITJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-037391
c12-c(ccc1C#CC#Cc1c3-c(cc1)ccccc3)ccccc2	PC-id_11543987	302.368	JIEKADMKEUFGQE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037392
c12-c(cc(c1)C#CC#Cc1cc3-c(c1)ccccc3)ccccc2	PC-id_10870382	302.368	OJYYWYRFEBZSND-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037393
c12-c(ccc1)ccc(cc2)C#CC#Cc1ccc2-c(ccc2)cc1	PC-id_10881188	302.368	NJJGOHHLOSETBQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037394
Cc1onc(c1C(C(=O)N1CCCc2c(C1)cco2)(C)C)C	MCULE-3417913424,EMOLS-id_316851908	302.368	HHHCICHYDGMPDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037395
FC1CCC(C1)CS(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320144580,MCULE-5575407441	302.368	RXRJTUNBIVXILY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-037396
O=CN(CCCc1c(C)[nH]c2=CC(C=CC=c12)C(=O)OC)C	PC-id_142101074	302.368	CCMSQYYZFGGDJA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-037397
N#Cc1c2-c(n(c1=O)Cc1ccccc1)cc(ccc2)C(C)C	SCHEMBL9157137,PC-id_10425007	302.37	UFLMUDJENAFKOG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-037398
N#Cc1ccc(cc1CSc1nnc2n1CCCCC2)F	PC-id_103760265	302.37	KZNKWRXOECCUSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037399
N#Cc1cc(ccc1F)CSc1nnc2n1CCCCC2	PC-id_103758811	302.37	KMAMUAOENIMXDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037400
N#Cc1cccc(c1F)CSc1nnc2n1CCCCC2	PC-id_103912207	302.37	ZWSVCBKHZRZYFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037401
N#Cc1c(=O)n(c2-c1cc(ccc2)C(C)C)Cc1ccccc1	SCHEMBL9152030,PC-id_9972164	302.37	PVMOHOQHZLPXFN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-037402
S(c1n2CCCCCc2nn1)Cc1cc(ccc1F)C#N	PC-id_29787639	302.37	DGTMHVCTVKJXKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037403
S(c1n2CCCCCc2nn1)Cc1cc(cc(F)c1)C#N	PC-id_81524466	302.37	CYZZEAAMYIMWMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037404
S(c1n2CCCCCc2nn1)Cc1c(F)cc(cc1)C#N	PC-id_41922328	302.37	BADKPDQRMVDLRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037405
C1CCc2ncc(n2CC1)C(=O)N1CCC(=O)N2C1CCC2	EMOLS-id_316957893,PC-id_136567049,MCULE-4468537442	302.371	PWZUZBUQUIRMNL-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-037406
c1cc(CN2CCCn3nnc(COCC4CC4)c3C2)co1	EMOLS-id_46147977,ZINC22_96058840,PC-id_97381497	302.371	QLLIYFSAYABUQH-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-037407
C1CCn2c(CC1)nnc2CN1CCOC(C1)c1ccco1	EMOLS-id_111806378	302.371	NMZDQBPCEYMEBP-UHFFFAOYSA-N	00000000101010000101100000000010000000000000000000000000	31-01-037408
C1CCn2c(CC1)nnc2CN1CCOCC1c1ccco1	PC-id_139001988,EMOLS-id_320392222,MCULE-4162429348	302.371	XFXWXXRZLIGRJG-UHFFFAOYSA-N	00000000101010000101100000000010000000000000000000000000	31-01-037409
c1(CC(=O)NCc2c3CCCCCc3[nH]n2)c(C)noc1C	ZINC22_584901763,EMOLS-id_177493383,MCULE-3351500910	302.371	SSRWKRKKRJSLDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037410
c1(CN(C)C(=O)Cc2cc(no2)C)c2CCCCCc2[nH]n1	EMOLS-id_55711354,ZINC22_223890785,MCULE-6419138418,PC-id_91797627	302.371	BXRCPSUJUKZGEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037411
c1coc([C@H]2COCCN2Cc2nnc3n2CCCCC3)c1	ZINC22_604888528	302.371	XFXWXXRZLIGRJG-CYBMUJFWSA-N	00000000101010000101100000000010000000000000000000000000	31-01-037412
c1coc([C@@H]2COCCN2Cc2nnc3n2CCCCC3)c1	ZINC22_604888529	302.371	XFXWXXRZLIGRJG-ZDUSSCGKSA-N	00000000101010000101100000000010000000000000000000000000	31-01-037413
c1coc(CN2CCCn3nnc(COCC4CC4)c3C2)c1	PC-id_97381496,EMOLS-id_46147975,ZINC22_96058839	302.371	NIDNECOHWOICFG-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-037414
c1(C(=O)NCc2c3CCCCCc3[nH]n2)oc(nc1C)CC	ZINC22_584901855,MCULE-5073923811,EMOLS-id_177493762	302.371	NRGBGHWQFKSDGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037415
c1(C(=O)N(CC=C)CC=C)cc2n(CCCN(C(=O)C)C2)n1	PC-id_50963593,EMOLS-id_32397446,MCULE-2762966093,ZINC22_65404621	302.371	ZBHBYJCIXLAGNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037416
Cc1ccc(C(=O)N2CCc3ncc(CN(C)C)n3CC2)o1	PC-id_97466948,EMOLS-id_44328537,ZINC22_96196803	302.371	LEBQOAARDYUOHR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037417
Cc1ccc(o1)C(C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_318565641	302.371	OAGDDMVEYWDPDY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037418
Cc1ccoc1C(=O)N1CCc2ncc(CN(C)C)n2CC1	PC-id_97466945,ZINC22_96196800,EMOLS-id_44328531	302.371	GPYDBZNQZFOXFV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037419
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)C(=O)NC1CC1	MCULE-2328205682,EMOLS-id_320005022	302.371	HPYIWGCAKSPIDT-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-037420
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1c(C)noc1C)C	EMOLS-id_319742705	302.371	ZBIHZMRXWBOZTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037421
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Fc1cccc(c1)C(NCc1nnc2n1CCCCC2)(C)C	MCULE-4405261767,EMOLS-id_318249920	302.39	FKPAMVGTILXQTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037596
Fc1ccccc1C(NCc1nnc2n1CCCCC2)(C)C	MCULE-6732161250,EMOLS-id_318185478	302.39	IMPDJXUBCKTHQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037597
Fc1ccc(cc1)C(NCc1nnc2n1CCCCC2)(C)C	MCULE-7438152583,EMOLS-id_318653238	302.39	SYNSJZHHXFGRKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037598
O=S(c1ccc2-c1ccccc2)c1ccc2-c1ccccc2	PC-id_101721338	302.39	NUCUXXWKMZQTAE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037599
c1(C(=O)Nc2ccccc2SC)c2CCCCCc2on1	MCULE-1433766413,PC-id_4257431,EMOLS-id_15972050	302.391	HAUKOAAVBQSKED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037600
c1(C(=O)Nc2cccc(SC)c2)c2CCCCCc2on1	TIMTEC149060,EMOLS-id_21980639,PC-id_17254353,STOCK6S-86393,MCULE-6569720120,ZINC22_20275325	302.391	FLZCNTAYVHNJET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037601
c1(NC(=O)COc2ccccc2)sc2c(CCCCC2)n1	MCULE-6912948545,EMOLS-id_323471888	302.391	GBIGAXYVKGTXON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037602
Cc1ccc(c(c1)C(=O)N1CCCCc2c1sc(n2)C)O	EMOLS-id_319443988	302.391	QNGMHZHZEJBJGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037603
Cc1ccc(c(c1)O)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319049183	302.391	FYEWECGRCQWELS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037604
Cc1ccc(/C=C/C(=O)Nc2nc3c(s2)CCCCC3)o1	CoCoCo_4546123,ZINC22_14554316,PC-id_26158066	302.391	GQTXCGILNUALAE-MDZDMXLPSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037605
Cc1ccc(o1)/C=CC(=O)Nc1nc2c(s1)CCCCC2	CoCoCo_4546124	302.391	GQTXCGILNUALAE-KTKRTIGZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037606
Cc1ccc(o1)C=CC(=O)Nc1nc2c(s1)CCCCC2	MCULE-6327740504,PC-id_72058580,EMOLS-id_26229685	302.391	GQTXCGILNUALAE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037607
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(c(c1)C)O	EMOLS-id_319952531,MCULE-5931922202	302.391	JBZMEKOEBOTEJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037608
Cc1sc2c(n1)CCCCN2C(=O)c1cccc(c1O)C	EMOLS-id_320245121,MCULE-5104159358	302.391	YREBOTUSRXCKEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037609
CCOC(=O)C(C#N)C1=NC=CCC(c2c1c(cs2)C)C	PC-id_91147354	302.391	TWCRSLMGULSEEZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-037610
Cn1cc(NC(=O)c2cc3c(s2)CCCCC3)ccc1=O	ZINC22_84314502,PC-id_71938598,MCULE-6996555278,EMOLS-id_44499900	302.391	FDYJSOYUGIPURL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037611
COc1c(ccc(c1)/C=C/c1nc2c(s1)NCCCC2)O	PC-id_136455746,SCHEMBL8316319	302.391	DUWJIWXZEXGLIW-SOFGYWHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037613
COc1cccc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319258765	302.391	ZDBMOTFPOFDQLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037614
COc1cccc(c1)C(=O)Nc1nc2CCCCCc2s1	CoCoCo_4546050,ZINC22_12913770,PC-id_17517226,EMOLS-id_16726244,MCULE-4029404584	302.391	LOEILMXMDXCAGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037615
COc1ccc(cc1)C(=O)Nc1nc2CCCCCc2s1	MCULE-7437254675,ZINC22_12757562,PC-id_17524430,EMOLS-id_16746338,CoCoCo_4546035	302.391	YSEHOBAVWWKVEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037616
COc1ccccc1C(=O)Nc1nc2CCCCCc2s1	PC-id_17518175,MCULE-3564566714,EMOLS-id_16728754,CoCoCo_4546023,ZINC22_12918305	302.391	NRNIUEYTOPDSBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037617
COc1ccc(cc1O)/C=C/c1sc2c(n1)CCCCN2	PC-id_15069555,SCHEMBL8315945	302.391	ZDCYQVMNFNUVPW-SOFGYWHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037618
COc1cccnc1CC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318140991	302.391	ODDOKMJLVDZMNW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037619
COC1CN(Cc2cccn2C1)C(=O)/C=C/c1cccs1	EMOLS-id_50017482	302.391	RHHBSRKBYLXKOY-VOTSOKGWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-037620
COc1ncnc(c1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_104303269	302.391	DTMPMMAPKIUJPU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037621
CO[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2cccn2C1	ZINC22_306137817	302.391	RHHBSRKBYLXKOY-PSKZRQQASA-N	00000000100100000101000000000010000000000000000000000000	31-01-037622
CO[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2cccn2C1	ZINC22_306137818	302.391	RHHBSRKBYLXKOY-UZYOAWRESA-N	00000000100100000101000000000010000000000000000000000000	31-01-037623
NC(=O)c1ccc(Cn2c3c(sc2=O)CCCCC3)cc1	EMOLS-id_49016231,MCULE-2299580625,PC-id_72015593,ZINC22_79090112	302.391	PYFQCCXZHKVGBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037624
Oc1ccc(c(c1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_320299596,MCULE-8652209659	302.391	SDVHQYREPFHLGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037625
Oc1ccc(c(c1)N)NC(=O)c1cc2c(s1)CCCCC2	PC-id_107697496	302.391	JTXJUZZGEAXTIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037626
OCc1cccc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319575066	302.391	RKVLODJUCIRPRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037627
OCc1ccc(cc1)NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319200913	302.391	UECNZUCKOKNYDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037628
O=C(c1c(N)sc2c1CCCCC2)Nc1ccccc1O	PC-id_145999738	302.391	IBRWZKPBCJMPKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037629
O=C(c1sc2c(c1)CCCCCC2)Nc1ncccc1O	CoCoCo_3881492,CoCoCo_3881493,PC-id_25336024	302.391	KCBJCYGQSYOJHL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037630
O=C(N1CCCc2c(C1)ccs2)CCc1ccc(=O)[nH]c1	EMOLS-id_318235376	302.391	GEHBMYRMUMNKIV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037631
O=C(N1CCCCc2c1ccs2)CCc1ccc(=O)[nH]c1	EMOLS-id_318302071	302.391	YARYFGKSEPDAOM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037632
O=C(N1CCCCc2c1ccs2)C(Oc1cccnc1)C	EMOLS-id_318218991	302.391	LGUQYTRMTLIYNO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037633
O=C(N1CCCCc2c1sc(n2)C)C(c1ccccc1)O	EMOLS-id_319011910	302.391	NVTDMJYMLFDEKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037634
O=C(Nc1cnccc1CO)c1cc2c(s1)CCCCC2	PC-id_136518879,MCULE-1731619650,EMOLS-id_316819819,ZINC22_135756044	302.391	VXYWJYHOQJEMKQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037636
O=C(Nc1nc2c(s1)CCCCC2)OCc1ccccc1	MCULE-7625498894	302.391	TYDOETFJJHQSTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037637
[O-][n+]1cccc(c1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_278976534	302.391	GOLLBAOJDILVMR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037638
s1c2CCCCCc2cc1C(=O)Nc1ccc(OC)nc1	PC-id_9210799	302.391	HMMWIBNIDOYNLW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037639
s1c2CCCCCc2cc1C(=O)NN=Cc1oc(cc1)C	PC-id_78620845	302.391	FVTRCCABJHOXHN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-037640
s1c2CCCCCc2cc1C(=O)NN=C(c1occc1)C	PC-id_78620858	302.391	GRNAKMGZVAAILF-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-037641
s1c2CCCCCc2cc1C(=O)N/N=C(c1occc1)/C	PC-id_8159663	302.391	GRNAKMGZVAAILF-BOPFTXTBSA-N	00000000101000000100000000000010000000000000000000000000	31-01-037642
s1c2CCCCCCc2cc1C(=O)Nc1c[nH]ccc1=O	PC-id_52599884	302.391	KLPREOPZWWTAFO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037643
s1c2CCCCCCc2nc1NC(=O)/C=C/c1occc1	PC-id_56035729	302.391	QWQQVFSZNXUCIB-MDZDMXLPSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037644
s1c2CCCCCCc2nc1NC(=O)C=Cc1occc1	PC-id_76295383	302.391	QWQQVFSZNXUCIB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037645
S1C2=C(CCCCN2)NC1=CC=C1C=C(OC)C(=O)C=C1	PC-id_53780429	302.391	SPYVKJFIEJAWBY-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-037646
s1c2NCCCCc2nc1C=Cc1cc(O)c(OC)cc1	PC-id_54540894	302.391	ZDCYQVMNFNUVPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037647
CCCCS(=O)(=O)NCC1COCc2c(C)nnn2C1	EMOLS-id_44332627	302.393	DXPCLOBICKBCDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037648
CCCCS(=O)(=O)NC[C@H]1COCc2c(C)nnn2C1	PC-id_97469442,ZINC22_96199371	302.393	DXPCLOBICKBCDU-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037649
CCCCS(=O)(=O)NC[C@@H]1COCc2c(C)nnn2C1	PC-id_97469443,ZINC22_96199372	302.393	DXPCLOBICKBCDU-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-037650
CCOCC1CN(Cc2cncn2C1)S(=O)(=O)N(C)C	EMOLS-id_49230265	302.393	VNKNMWBWNSVBQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037651
CCOC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cncn2C1	PC-id_97475639,ZINC22_96207512	302.393	VNKNMWBWNSVBQB-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-037652
CCOC[C@H]1CN(S(=O)(=O)N(C)C)Cc2cncn2C1	ZINC22_96207511,PC-id_97475638	302.393	VNKNMWBWNSVBQB-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037653
COC(C(C)C)CS(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320216204,MCULE-8340171865	302.393	RQVJTNCRAONRDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037654
c1(c2CCCCc2cs1)C(=O)N1CCn2c(nnc2)CC1	EMOLS-id_232709433,ZINC22_19836162,MCULE-2147968120,PC-id_28389375	302.395	HBEZMXYZLAUHHW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-037655
c1(cn2c(CCNCC2)n1)C(=O)N1CCc2c(ccs2)C1	MCULE-4019945430,ZINC22_1857723850,EMOLS-id_330433571	302.395	ZGNKPXUDAHBUPP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-037656
CSc1nccc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670185	302.395	QYFFWUMXTJERBT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037679
c1(C(=O)Nc2sc3c(CCC3)n2)c2CCCCCc2n[nH]1	ZINC22_96231395,STOCK7S-46700,EMOLS-id_49247857,MCULE-3072147333,PC-id_75489815,EMOLS-id_50403011	302.395	WCILKLUDPZRRRN-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-037657
c1(C(=O)/N=c/sc3c(CCCCC3)[nH]2)c2CCCc2[nH]n1	MCULE-1155633076,ZINC22_95472829,EMOLS-id_48569386,EMOLS-id_49402022,PC-id_71701285,STOCK7S-43869	302.395	QYPHGUMMJBFODK-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-037658
Cc1ccnc(n1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111348452	302.395	LMKFRZBCFCEIGS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037659
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1csc(n1)C1CC1	EMOLS-id_319363115	302.395	ADWLPJWLXCACSV-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037660
Cc1nc2c(s1)N(CCCC2)C(=O)c1c[nH]c(n1)C1CC1	EMOLS-id_319993568,MCULE-6999087265	302.395	ICTWKHNFIUSNBE-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037661
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnn2c1CCC2	EMOLS-id_319210006	302.395	TUXDBFMYKDPSFN-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-037662
Cc1nc2c(s1)N(CCCC2)C(=O)c1n[nH]c2c1CCC2	EMOLS-id_318900429	302.395	VUOPGEOMWMBOCB-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-037663
Cc1nc2c(s1)N(CCCC2)C(=O)c1n[nH]c(c1)C1CC1	MCULE-8155399251,EMOLS-id_319839153	302.395	SIMMFCHBCQVZMG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037664
Cc1ncc(c(n1)C)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110842068	302.395	ANRSVUDNKHPPEJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037665
Cc1ncc(nc1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644791	302.395	PYRMEOVATVWKQE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037666
Cc1nc(C)nc(c1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111066009	302.395	NWMPJUNJYZGUKT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037667
Cc1nnc(c(c1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319486568	302.395	ONWVDDUGCODFSU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037668
Cc1nncc(c1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111288598	302.395	YATKNFHQKAXTRI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037669
Cc1sc2c(n1)CCCCN2C(=O)c1cc(C)nc(n1)C	MCULE-3139357643,EMOLS-id_319914639	302.395	LPEUWVMFGMXTAC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037670
CCC(=O)c1ccc(cn1)Sc1nnc2n1CCCCC2	PC-id_115939139	302.395	HLOCLAXLYMGICE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037671
CC(=O)c1ccc(cc1N)Sc1nnc2n1CCCCC2	PC-id_104529411	302.395	ZNHWDXPQOJXULS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037672
CC(=O)c1cc(ccc1N)Sc1nnc2n1CCCCC2	PC-id_104613384	302.395	NSDVQFBUXMUTIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037673
CNc1ccc(nc1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320316702,MCULE-9385310935	302.395	QXUOTLICHQWWMW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037674
CNc1nc(C)cc(n1)C(=O)N1CCCc2c(C1)ccs2	MCULE-5825549327,EMOLS-id_318261203	302.395	UFCCPVCWNRNKTH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037675
CNc1nc(C)cc(n1)C(=O)N1CCCCc2c1ccs2	EMOLS-id_318218665,MCULE-5956580082	302.395	AFYPLNWULFHAFS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037676
CNC(=O)c1cnc(s1)C=Cc1cnc2n1CCCCC2	EMOLS-id_318517532	302.395	DGAFMIIQPQIYAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037677
n12CCCCCc1nnc2SCC(=O)Nc1ccccc1	ZINC22_6098197,PC-id_7877428,MCULE-5140422487,CoCoCo_6269028,EMOLS-id_10083725	302.395	SZRNJPQOYMFRKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037680
n1c(SCC(=O)Nc2ccccc2)nn2CCCCCc12	CoCoCo_5900358,PC-id_4186300,ZINC22_390133,CoCoCo_5900359,MCULE-4409831930	302.395	BVQXUIOEGYHLEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037681
Nc1nc2c(s1)CCN(CC2)CC=Cc1ncccc1O	SCHEMBL7293474,PC-id_54574185	302.395	ZZJXUONNIIFTGC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037682
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ncccc1O	SCHEMBL9871400	302.395	ZZJXUONNIIFTGC-NSCUHMNNSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037683
NC(=O)c1ccc(CSc2nnc3n2CCCCC3)cc1	PC-id_17407107,MCULE-2414263365,EMOLS-id_11922736,CoCoCo_4328179,ZINC22_9690301	302.395	NKGPAPQOKOSRFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037684
Oc1cccc(n1)C=CCN1CCc2c(CC1)nc(s2)N	PC-id_53661214,SCHEMBL7282948	302.395	ATJKNEGYXUDDJD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037685
Oc1cccc(n1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL9871099	302.395	ATJKNEGYXUDDJD-DUXPYHPUSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037686
O=C(c1cc2c(s1)CCCCC2)N1CC(C1)c1n[nH]cn1	EMOLS-id_319292027	302.395	ZQJZYBIAAFQMDM-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-037687
O=C(c1cnc2n1CCCCC2)Nc1scc(n1)C1CC1	EMOLS-id_318730450	302.395	KCYIWDSJDNUXAU-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037688
O=C(c1cnc2n1CCCCC2)Nc1scnc1C1CC1	EMOLS-id_318464549	302.395	FDQRYAFWFLIDQG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037689
O=C(C(N1CCCc2c(C1)ccs2)C)Nc1ncccn1	EMOLS-id_318156739	302.395	OBVQDUBFRHECGI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037690
O=C(N1CCc2c(C1)ccs2)C1CCn2c(CC1)nnc2	MCULE-1754519975,EMOLS-id_320130164	302.395	OXLGSTXBWOJNOL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-037691
O=C(N1CCCc2c(C1)ccs2)C1CCn2c(C1)ncn2	EMOLS-id_318954682	302.395	SMWHOMFMFGQRHL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-037692
O=C(N1CCCc2c(C1)ccs2)NCCc1cnccn1	EMOLS-id_318607001	302.395	LDZAVXZRVUXDMF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037693
O=C(N1CCCCc2c1sc(n2)C)C(c1cnccn1)C	EMOLS-id_319050661	302.395	RBOIMRUGJDAFNA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037694
O=C(N1CCCCc2c1sc(n2)C)CCc1ccncn1	EMOLS-id_320036193,MCULE-8818478584	302.395	UQBBHDIJYDIXBT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037695
O=C(N1CCCCc2c1sc(n2)C)CCc1cnccn1	EMOLS-id_319785338	302.395	AOABFBKMHMXIMB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037696
O=C(N1CCCCc2c1sc(n2)C)CCc1cncnc1	EMOLS-id_319859796	302.395	VYTAJRZELOIKSH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037697
O=C(N1CCCCc2c1sc(n2)C)CCc1ncccn1	MCULE-4893838516,EMOLS-id_320214679	302.395	XJDNHOHCEHOZPV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037698
O=C(N1CCCCc2c1sc(n2)C)[C@@H]1C[C@H]1c1c[nH]cn1	MCULE-2936033877,EMOLS-id_319995195	302.395	NJDHEAKIBCMEKB-GHMZBOCLSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037699
O=C(N1CCCn2c1ncn2)c1cc2c(s1)CCCCC2	MCULE-1661371527,EMOLS-id_36933169,PC-id_47778591	302.395	XKUUGYSXRHRDEU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-037700
S(c1c2-c(c(cc(cc2C)C)C)cc1)C#Cc1ccccc1	PC-id_12285330	302.433	KTZXCIAVUXHMSB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-037831
O=C(N1CCn2c(C1)ncn2)c1cc2c(s1)CCCCC2	EMOLS-id_100155350	302.395	RCXNCYPMNCRZHX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-037701
O=S1CCCCn2c1nc(n2)N[C@@H]1CCc2c1cccc2	PC-id_142602367	302.395	UNMKNEJRGOKMEK-ILRUXTBWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-037702
S(c1n2CCCCCc2nn1)C(c1ccccc1)C(=O)N	PC-id_18138120	302.395	RXFCDQXTAIYCJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037703
c1(N(C)C)sc(cn1)CN1CCCn2nc(C#N)cc2C1	ZINC22_584893312,EMOLS-id_177428272,MCULE-4223887745	302.398	NHEHERCETUBJOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037704
Cc1nc(cc(c1)C(=N)N)Sc1nnc2n1CCCCC2	PC-id_114769622	302.398	LVWPLVFWBSVWFA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037705
S(c1n2CCCCCc2nn1)c1nc(ccc1C(=N)N)C	PC-id_61654386	302.398	BVAAWRDVFDNUFC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037706
S(c1n2CCCCCc2nn1)c1nccc(c1C(=N)N)C	PC-id_81743695	302.398	BZUHHPXDBHIBFD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037707
S(c1n2CCCCCc2nn1)c1nc(nc(N)c1)C1CC1	PC-id_80962984	302.398	UZKLVUVJEDDBLZ-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-037708
S(c1n2CCCCCc2nn1)Cc1cc(ncc1)C(=N)N	PC-id_63881481	302.398	NWUWDJDXMPJVTJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037709
S(c1n2CCCCCc2nn1)Cc1c(nccc1)C(=N)N	PC-id_62894070	302.398	JKLPJGLMGMBETO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037710
Cc1cc(C)c(c(c1)F)C(=O)c1cc2c(s1)CCCCC2	PC-id_106883289	302.406	YFWVPLNPAVZGTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037711
Fc1ccc(c(c1)C)CC(=O)c1cc2c(s1)CCCCC2	PC-id_115812656	302.406	FVZKMXLDLFVNMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037712
Fc1ccc(c(c1)CC(=O)c1cc2c(s1)CCCCC2)C	PC-id_105376862	302.406	NYUTYFGYOOBXSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037713
Fc1cc(C)c(c(c1)C)C(=O)c1cc2c(s1)CCCCC2	PC-id_106876823	302.406	DVWFKCVQTPSONF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037714
s1c2CCCCCc2cc1C(=O)c1cc(c(F)c(c1)C)C	PC-id_65299507	302.406	NDPSEQFWYWKUAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037715
CC(c1ccc(c2-c(c1)c(C)cc2C=C1C=CC=CC1=O)C)C	PC-id_101760685	302.409	JXSYBAUKYNOFHV-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-037716
CCCCOc1ccc(/C=C/c2ccc3-c2ccccc3)cc1	ZINC22_1837860,PC-id_1612452	302.409	JFLARHBYXHFQQS-FMIVXFBMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-037717
O=C1C=CC(=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)C=C1	PC-id_11760939	302.409	XEXVWFBVXPHUCH-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-037718
O=C(c1c2-c(c(c1)C)cc(C(C)C)ccc2C)c1ccccc1	PC-id_625190	302.409	LRVIVNYDYKRIIL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-037719
O=C(c1c2-c(c(ccc(C(C)C)c2)C)cc1C)c1ccccc1	PC-id_571318	302.409	XRPWZILPYPZKJY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-037720
O=C(c1c(c2-c(c(ccc(C(C)C)c2)C)c1)C)c1ccccc1	PC-id_627360	302.409	UUUULTPSGZAODS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-037721
O(CCCC)c1ccc(C=Cc2c3-c(cc2)ccccc3)cc1	PC-id_3915775	302.409	JFLARHBYXHFQQS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-037722
CC1CN2C(C1)CCC(C2)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319850054	302.411	SJXDAKFWGRYIGH-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-037723
CCOCCC1CN(Cc2cccn2C1)C(=O)C1=CCCC1	EMOLS-id_313746101	302.411	OJOVNXNWVBDWJV-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-037724
CCOCC[C@@H]1CN(C(=O)C2=CCCC2)Cc2cccn2C1	ZINC22_585095297	302.411	OJOVNXNWVBDWJV-HNNXBMFYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-037725
CCOCC[C@H]1CN(C(=O)C2=CCCC2)Cc2cccn2C1	ZINC22_585095298	302.411	OJOVNXNWVBDWJV-OAHLLOKOSA-N	00000011100000000101000000000010000000000000000000000000	31-01-037726
CNC1C(=O)N(CCc2c1occ2)CC1CC2CC1CCC2	PC-id_23554826,SCHEMBL14171338	302.411	AOMRQUHXAYNHDA-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-037727
CNC1C(=O)N(CCc2c1occ2)CC1CC2CCC(C1)C2	PC-id_23554798,SCHEMBL14171349	302.411	VLWPKARAYGHJCO-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-037728
COC1=Cc2c(C)cn(c2CC=C1)CC(=O)N(CC(C)C)C	PC-id_142197315	302.411	YRRJVDCUDWZLIR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-037729
O=Cc1cc2n(c1)CC(CN(C2)C(=O)CC1CCCC1)(C)C	PC-id_144264835	302.411	GCLDJWUKCQTJDJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-037730
O=C(c1noc2c1CCCCC2)N1CCCC1C1CCCC1	PC-id_119043890,MCULE-7087481008,EMOLS-id_75979475	302.411	QJCDSRGUKRIESV-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-037731
O=C(c1noc2c1CCCCC2)N1CCC[C@@H]1C1CCCC1	ZINC22_129368277	302.411	QJCDSRGUKRIESV-OAHLLOKOSA-N	00000010100000000101100000000010000000000000000000000000	31-01-037732
O=C(c1noc2c1CCCCC2)N1CCC[C@H]1C1CCCC1	ZINC22_129368486	302.411	QJCDSRGUKRIESV-HNNXBMFYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-037733
c12-c(cc(ccc1C)C(C)C)c(cc2N=Nc1ccccc1)C	MCULE-4100304154,PC-id_2741021	302.413	HHUGNIJTHJRSSB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-037734
CC(C)c1ccc(C)c2-c(c(cc2/N=N/c2ccccc2)C)c1	EMOLS-id_26484837	302.413	HHUGNIJTHJRSSB-GHVJWSGMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-037735
CCS(=O)(=O)NCC(=O)N1CCCc2sccc2C1	EMOLS-id_53770518,ZINC22_225520167,PC-id_100664562,MCULE-6995607773	302.413	PRFMFIMZQFHUFI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037736
CS(=O)(=O)CC(=O)Nc1nc2CCCCCCc2s1	EMOLS-id_110644812,PC-id_134698191,MCULE-7340893092,ZINC22_299100318	302.413	SBDYHKQJEMSFCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037737
NS(=O)(=O)CCNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_38059149,ZINC22_40223258,MCULE-9457954302,PC-id_61068688	302.413	RTCZNMRZNFVWRH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037738
O=C(C(S(=O)(=O)C)C)N1CCCCc2c1sc(n2)C	EMOLS-id_319600885	302.413	SSASMMYGCPAJIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037739
O=C(C(S(=O)(=O)C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110763059	302.413	MRGVRJNNDHCCGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037740
O=C(N1CCCc2c(C1)ccs2)CCCS(=O)(=O)N	EMOLS-id_316590892	302.413	KPLUINIWUHYRLH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037741
c1(NC(=O)c2cccs2)sc2c(CCCCC2)c1C#N	EMOLS-id_1415700,MCULE-2311758692,ZINC22_180751,TIMTEC526917,CoCoCo_276785,PC-id_741868,STOCK2S-36447,ChEMBL-DNDi_CHEMBL5698968,BAS-03072295,SPECS-id_AK-968/11986357	302.414	WLLVXRMZPPBWPG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-037742
N#Cc1ccsc1NC(=O)c1cc2c(s1)CCCCC2	ZINC22_14626767,MCULE-4809324845,PC-id_86776433,EMOLS-id_49901927	302.414	BAGFCWHZMUFVJR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-037743
s1c2c(CCCCC2)c(c1N)C(=O)NCc1c[nH+]ccc1	PC-id_4744912	302.414	FXIDHWUPXWXSQG-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-037744
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)CC=CC	MCULE-6925197609,PC-id_77897291	302.415	MKKDGLSHADKWDO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-037745
c12C(=O)NCC(C)(C)Cc1[nH]c(CC13CCCN1CCC3)n2	MCULE-2211978150,EMOLS-id_232799836,ZINC22_65421968,PC-id_50968610	302.415	XUZFARFUVYITCH-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-037746
c1(C(=O)N2CCCC2)cc2n(CCCN(C/C=C(C)/C)C2)n1	ZINC22_65399029,MCULE-8151659483,PC-id_50962354,EMOLS-id_32395128	302.415	WKFMXGXXWIPJLM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-037747
CC1CCC(=CC(=O)NCCc2nnc3n2CCCCC3)C1	PC-id_71858762,EMOLS-id_43666822,MCULE-6472333227	302.415	HJAPQNSUKPXSDS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-037748
CC1CN2C(C1)CCC(C2)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319583312	302.415	CGQOCRSOLOIITJ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-037749
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCN1C1CCCC1	MCULE-3327249512,EMOLS-id_320321045	302.415	DLIUKMCMLHNOOQ-UHFFFAOYSA-N	00001010100000000101100000000010000000000000000000000000	31-01-037750
CC1CN(CC(=O)NC(C2CC2)C2CC2)Cc2c(C1)[nH]nc2	EMOLS-id_319162479	302.415	HRAWSBXPCGGTGA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-037751
Cc1nnc2n1CCC(CC2)N(C)C(=O)CC1=CCCCC1	PC-id_91922642	302.415	UYRVOAWIDKBFPA-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-037752
CCc1ccc(CN2CCc3ncc(CN(C)C)n3CC2)o1	ZINC22_96196779,EMOLS-id_44328489,PC-id_97466924	302.415	OPKPRXGYPVHTBE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037753
CCC(c1nnc2n1CCCCC2)NC(=O)C1=C(C)CCC1	EMOLS-id_97699422	302.415	BAABPMORUJAUPB-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-037754
C/C=C/CN1CCCn2nc(CCC(=O)NC3CC3)cc2C1	PC-id_70706353,ZINC22_82086693,EMOLS-id_44861162	302.415	MKKDGLSHADKWDO-NSCUHMNNSA-N	00100000100000000101000000000010000000000000000000000000	31-01-037755
CCCN1Cc2nccn2C[C@H](CN(C)Cc2ccco2)C1	ZINC22_96067116,PC-id_97389437	302.415	RQKKRRAXLRNSJU-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037756
CCCN1Cc2nccn2C[C@@H](CN(C)Cc2ccco2)C1	ZINC22_96067117,PC-id_97389438	302.415	RQKKRRAXLRNSJU-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037757
CCCN1CC(CN(C)Cc2ccco2)Cn2ccnc2C1	EMOLS-id_46160743	302.415	RQKKRRAXLRNSJU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037758
C[C@@H]1CC/C(=CC(=O)NCCc2nnc3n2CCCCC3)/C1	PC-id_96535401,ZINC22_79056690	302.415	HJAPQNSUKPXSDS-MNWMYKRDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-037759
C[C@@H]1CC/C(=C/C(=O)NCCc2nnc3n2CCCCC3)/C1	PC-id_97423453	302.415	HJAPQNSUKPXSDS-NXXVSJRMSA-N	00000010100000000101000000000010000000000000000000000000	31-01-037760
C[C@H]1CC/C(=C/C(=O)NCCc2nnc3n2CCCCC3)/C1	PC-id_97423454	302.415	HJAPQNSUKPXSDS-BSHRGCEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-037761
C[C@H]1CC/C(=CC(=O)NCCc2nnc3n2CCCCC3)/C1	ZINC22_79056698,PC-id_96535403	302.415	HJAPQNSUKPXSDS-REQDGWNSSA-N	00000010100000000101000000000010000000000000000000000000	31-01-037762
CCN(C1=NN(C(=O)n2c(C=C1C)ccc2)C(C)(C)C)CC	PC-id_101042613	302.415	SFFQTEVQRAUKLW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-037763
CCN(CC)Cc1cnc2CCN(Cc3ccoc3)CCn12	EMOLS-id_44328577,PC-id_97466968,ZINC22_96196823	302.415	XJUGAOUYUOZZIG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037764
CCN(CC)CC1CN(Cc2ccco2)Cc2nccn2C1	EMOLS-id_46183561,PC-id_118739540	302.415	RQGOAXUXLLFFJV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037765
CCN(CC)C[C@H]1CN(Cc2ccco2)Cc2nccn2C1	PC-id_97406088,ZINC22_96086774	302.415	RQGOAXUXLLFFJV-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037766
CCN(CC)C[C@@H]1CN(Cc2ccco2)Cc2nccn2C1	PC-id_97406089,ZINC22_96086775	302.415	RQGOAXUXLLFFJV-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-037767
CN1CC[C@H]2[C@@H](C1)CN(C2)C(=O)c1n[nH]c2c1CCCCC2	MCULE-9979142051,EMOLS-id_258009170	302.415	KDAYMKVQAWGGFB-OLZOCXBDSA-N	00000010100010000101000000000110000000000000000000000000	31-01-037768
CN1CCCn2c(C1)c(nc2/C=C/C1CCCCC1)C(=O)N	PC-id_71047761,SCHEMBL14003182	302.415	QCBSTKLXYFGSME-CMDGGOBGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-037769
CN1CCCn2c(C1)c(nc2/C=C/CC1CCCC1)C(=O)N	PC-id_145538666	302.415	KPNLHYPKISHJFQ-RUDMXATFSA-N	00000010100000000101000000000010000000000000000000000000	31-01-037770
CN(C(=O)[C@@H]1C[C@H]1C1CCC1)Cc1nnc2n1CCCCC2	EMOLS-id_319532440	302.415	YRJAUVHHQXRTTR-UONOGXRCSA-N	00101000100000000101100000000010000000000000000000000000	31-01-037771
COCCC1CN(Cc2cc(C)nn2C)Cc2cccn2C1	EMOLS-id_313749173	302.415	BQARQDPXRJOYGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037772
COCC[C@H]1CN(Cc2cc(C)nn2C)Cc2cccn2C1	ZINC22_585095051	302.415	BQARQDPXRJOYGN-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037773
COCC[C@@H]1CN(Cc2cc(C)nn2C)Cc2cccn2C1	ZINC22_585095052	302.415	BQARQDPXRJOYGN-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037774
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O=C(C1CCn2c(CC1)nnc2)NCCC1CC2CC1CC2	EMOLS-id_316644445	302.415	AHCJMZWLTKEXHC-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-037779
O=C(c1cnc2n1CCCCC2)N(C1CC1)C1CCNCC1	MCULE-5946179605,EMOLS-id_318206624	302.415	XZGRGKRGRAUETI-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-037780
O=C(c1cnc2n1CCCCC2)N[C@@H]1C[C@@H](C1)N1CCCC1	EMOLS-id_319712108	302.415	BJWDAPDMBFTTSR-OKILXGFUSA-N	00001010100000000101100000000010000000000000000000000000	31-01-037781
O=C(CC1CC1)NCc1cnc2CCN(CC3CC3)CCn12	EMOLS-id_44329023,ZINC22_96197047,PC-id_97467191	302.415	VZPLNJKYURZTTR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-037782
O=C(C=C1CCCCC1)NCCc1nnc2n1CCCCC2	PC-id_75417004,EMOLS-id_48221104,ZINC22_55982254,MCULE-2627457238	302.415	GGAPBZOIPYUQRC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-037783
O=C(N1CCCc2c(C1)cnn2C)NC(C1CC1)C1CCC1	EMOLS-id_101684882	302.415	DJLXFIWKUNOFSE-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-037784
O=C(N1CCCc2c(C1)cnn2C)NCC1CC2CC1CC2	EMOLS-id_101730912	302.415	UXNCNUQTURSKJZ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-037785
O=C(N1CCCc2c(C1)cnn2C)NCC1(CCC1)C1CC1	EMOLS-id_101718249	302.415	GYSXWHUOGDQYHF-UHFFFAOYSA-N	00101000100000000101100000000010000000000000000000000000	31-01-037786
O=C(N1CCCc2c(C1)cnn2C)NCCC1=CCCCC1	EMOLS-id_101727801	302.415	UDUKCCRRZVHSJR-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-037787
O=C(N1CCCc2c(C1)cnn2C)NC[C@@H]1C[C@H]1C1CCC1	EMOLS-id_102217708	302.415	FYTBQDJOQZMMFS-ZFWWWQNUSA-N	00101000100000000101100000000010000000000000000000000000	31-01-037788
O=C(N1CC(CN2CCCC2)Cn2c(C1)ncc2)CC1CC1	PC-id_118740929	302.415	AAXJURROFRKGCG-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-037789
O=C(N(C1CC1)C1CCCCC1)C1CCn2c(CC1)nnc2	EMOLS-id_316476549,MCULE-3572618715	302.415	RRDIYNALKYCNQH-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-037790
O=C(N)c1nc(n2CCCN(Cc12)C)C=CC1CCCCC1	PC-id_77869054	302.415	QCBSTKLXYFGSME-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-037791
O=C(N(CC1CC1)CC1CCC1)C1CCc2n(CC1)cnn2	EMOLS-id_278167628	302.415	XIVCHNFJZDLQHS-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-037792
O=C(NCCc1n2CCCCCc2nn1)/C=C
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c1(CN(C)Cc2cc3n(CCCNC3)n2)c(C)nn(C)c1C	PC-id_56894362,ZINC22_72150519,EMOLS-id_43107695,MCULE-9157697689	302.418	VNWYSNZUAOBPDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037794
Cc1cc(CN2Cc3ccnn3CC[C@H]2CN(C)C)n(C)n1	ZINC22_585097471	302.418	MBNLZPFFONGQNI-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037795
Cc1cc(CN2Cc3ccnn3CC[C@@H]2CN(C)C)n(C)n1	ZINC22_585097472	302.418	MBNLZPFFONGQNI-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037796
Cc1cc(CN2Cc3ccnn3C[C@@H](CN(C)C)C2)n(C)n1	ZINC22_306143034	302.418	XRKKEXRSRBNISW-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037797
Cc1cc(CN2Cc3ccnn3C[C@H](CN(C)C)C2)n(C)n1	ZINC22_306143035	302.418	XRKKEXRSRBNISW-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037798
Cc1c(CN2Cc3ccnn3CC[C@H]2CN(C)C)cnn1C	ZINC22_585096956	302.418	FZAVBLPMJWOLFJ-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037799
Cc1c(CN2Cc3ccnn3CC[C@@H]2CN(C)C)cnn1C	ZINC22_585096957	302.418	FZAVBLPMJWOLFJ-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037800
CCC(c1nnc2n1CCCCC2)NC(c1cnn(c1)C)C	EMOLS-id_318006351	302.418	JMTQWJPFBPARJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037801
CCC(c1nnc2n1CCCCC2)NCCc1cnn(c1)C	EMOLS-id_318175496	302.418	CYXKHSBUBSSIIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037802
CC(C)c1nn(C)cc1CNCc1nnc2n1CCCCC2	MCULE-3498228343,ZINC22_44973786,PC-id_45833407	302.418	MXNNWOFBHUUJQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037803
CC(C)(C)c1n[nH]cc1CNCc1nnc2n1CCCCC2	EMOLS-id_35729968,PC-id_53513992,ZINC22_65552533,MCULE-7998014731	302.418	MMTZFUOQNWGRON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037804
CCNC(=NCc1nnc2n1CCCCC2)NC1CC=CC1	PC-id_109770797	302.418	GQIHPWOHYWGPQH-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-037805
CCNC(=NCCCc1nnc2n1CCCCC2)NCC#C	PC-id_136922083	302.418	JYAJTFPGLQYVND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037806
Cn1nc(nc1C(C)(C)C)NCc1cnc2n1CCCCC2	EMOLS-id_318463406	302.418	MWKJHVKXBRRILC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037807
CN(Cc1nn2c(c1)CNCCC2)CCCc1nccn1C	EMOLS-id_43081661,MCULE-7636212945,PC-id_56888092	302.418	TYTSMLSYPVCQAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037808
CN(C)CC1CCn2nccc2CN1Cc1cnn(C)c1C	EMOLS-id_313815085	302.418	FZAVBLPMJWOLFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037809
CN(C)CC1CN(Cc2cc(C)nn2C)Cc2ccnn2C1	EMOLS-id_50373303	302.418	XRKKEXRSRBNISW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037810
CN=C(NC1CC=CC1)NCCc1nnc2n1CCCCC2	PC-id_109770831	302.418	TXSMHTISKDZKOA-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-037811
n12CCCCCc1nnc2CCNC(CCn1nccc1)C	PC-id_75449527	302.418	KUWUJKYUUWVEHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037812
n12nc(CN(CCCc3cn(nc3)C)C)cc1CNCCC2	PC-id_56900857	302.418	XOEKQTUJKPOUAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037813
S(c1n2CCCCCc2nn1)c1sc2c(n1)cccc2	PC-id_43036226	302.418	CHXGHARVHBORLW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-037814
CCCCc1cc(c2-c1ccc(cc2)CS)C(=O)OCC	PC-id_141580541	302.431	BSEGKQBLMISDID-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037815
CCCCCc1cc(c2-c1cc(S)ccc2)C(=O)OCC	PC-id_141580587	302.431	SRGIAZZTXWYXQY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037816
CCOc1ccccc1C(c1cc2c(s1)CCCCC2)O	PC-id_115795687	302.431	FSAGHDPPJGLINK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037817
CCOc1cccc(c1)C(c1cc2c(s1)CCCCC2)O	PC-id_115827595	302.431	RLFKHBOGFNPAGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037818
CCOC(=O)c1cc(c2-c1ccc(cc2)CS)CC(C)C	PC-id_141580582	302.431	PVEBUWADIYEJAQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037819
CCOC(=O)c1cc(c2-c1cccc(c2)S)CCC(C)C	PC-id_141580610	302.431	BTYUXCXISOLNFF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037820
O=Cc1c2-c(c(c1S(C(C)(C)C)(C)C)C=O)ccccc2	PC-id_145572878	302.431	UHLYCNBTBUQMEF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037821
s1c2c(CCCCC2)cc1C(O)c1cc(c(OC)cc1)C	PC-id_61082255	302.431	DXYAGJLCYBBXMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037822
s1c2c(CCCCC2)cc1C(O)c1c(cc(OC)cc1)C	PC-id_61101463	302.431	WREXQUHTFLBJOU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037823
s1c2c(CCCCC2)cc1C(O)c1ccc(OCC)cc1	PC-id_61100224	302.431	NQFJNJBMIHLBFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037824
s1c2c(CCCCC2)cc1C(O)c1c(OC)ccc(c1)C	PC-id_61080383	302.431	UKWFIGQPVQNIFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037825
s1c2c(CCCCC2)cc1C(O)Cc1ccc(OC)cc1	PC-id_63016751	302.431	WBHHGFKYBNPUPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037826
s1c2c(CCCCC2)cc1C(O)Cc1cc(OC)ccc1	PC-id_63018827	302.431	YPJYHTDFRUNSEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037827
s1c2c(CCCCC2)cc1C(O)Cc1c(OC)cccc1	PC-id_63016952	302.431	TYUQDMFLSDMDGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037828
[N+](=C1C=CC(=Cc2c3-c(c(cc(cc3C)C)C)cc2)C=C1)(C)C	PC-id_2307415	302.433	KRFGECLCXPHFMX-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-037829
[NH2+]=C1C=CC(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)C=C1	PC-id_101439610	302.433	BLDNDNOSDRPTAZ-UHFFFAOYSA-O	00000010100011000110000000000010000000000000000000000000	31-01-037830
c1(NC(=O)C2CCCC2)sc2c(CCCCCC2)c1C#N	EMOLS-id_2368840,PC-id_2862681,TIMTEC512204,MCULE-5737483947,CoCoCo_684037,ZINC22_2737318	302.434	VVAPQBCBRAZYNW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-037832
c1(NC(=O)C2CCCCC2)sc2c(CCCCC2)c1C#N	ZINC22_380932,TIMTEC48932,CoCoCo_201690,PC-id_847352,EMOLS-id_1338791,MCULE-2767409370	302.434	AMWXDXRHPBAOTJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-037833
c1(sc2c(CCCCCC2)n1)NC(=O)[C@@H]1C[C@H]2C[C@@H]1C=C2	ZINC22_19014970,MCULE-7016022014,SYN-20121318,PC-id_46972913,EMOLS-id_30441401,CoCoCo_500214	302.434	QWBJXVOZILQYSW-FRRDWIJNSA-N	00000011100000000101000000000110000000000000000000000000	31-01-037834
CCc1nn(c(c1)CC(=O)c1cc2c(s1)CCCCC2)C	PC-id_114980832	302.434	GOBVPNVUJLRPJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037835
CCCn1ccnc1CC(=O)c1cc2c(s1)CCCCC2	PC-id_115784777	302.434	QRMGBWQGQDHAHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037836
CCn1nc(cc1CC(=O)c1cc2c(s1)CCCCC2)C	PC-id_115779689	302.434	UKYSJIJQRWDOHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037837
CCOc1cncc(c1)C(c1cc2c(s1)CCCCC2)N	PC-id_105026644	302.434	BEVGGMRNOMISBK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037838
CNC1C(=O)N(CCc2c1scc2)CC1=CC=CC1(C)C	PC-id_23554816,SCHEMBL14172229	302.434	AYSFNSYIOSWZMN-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-037839
CNC1C(=O)N(CCc2c1scc2)CC1=CC(C=C1)(C)C	SCHEMBL14172202,PC-id_23554792	302.434	HVHKPICRGCTIQH-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-037840
COc1cccc(c1)C(c1cc2c(s1)CCCCC2)NN	PC-id_105283538	302.434	MSHOURFAFHIMIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037841
COc1ccccc1C(c1cc2c(s1)CCCCC2)NN	PC-id_105285653	302.434	HZJNBUVPKBDBLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037842
COc1ccc(cc1)C(c1cc2c(s1)CCCCC2)NN	PC-id_105286161	302.434	XGNKZCJUZSLSPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037843
COc1cccnc1C(c1cc2c(s1)CCCCC2)NC	PC-id_108212591	302.434	RBHUXFQZNJFCTR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037844
COc1cncc(c1)C(c1cc2c(s1)CCCCC2)NC	PC-id_105026090	302.434	GULVEUUOHFFOPP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037845
N#CC1CCCC1NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_111560847	302.434	VDIXEFPYKSFIHE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-037846
N#CC1(C)CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	PC-id_104008598	302.434	CXQQGELUBRIQRR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-037847
N#Cc1c(NC(=O)CC2CCCC2)sc2c1CCCCC2	MCULE-4091362215,PC-id_2402784,CoCoCo_3268393,ZINC22_3287284,EMOLS-id_3036531	302.434	XZBPXAJZEAVWAU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-037848
O=C(c1cc2c(s1)CCCCC2)Cc1ccn(n1)C(C)C	PC-id_114975708	302.434	FSTGXQLWGAOEJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037849
O=C([C@H]1C[C@@H]2C[C@H]1C=C2)Nc1sc2c(n1)CCCCCC2	CoCoCo_500215	302.434	QWBJXVOZILQYSW-XQQFMLRXSA-N	00000011100000000101000000000110000000000000000000000000	31-01-037850
O=C([C@H]1C[C@H]2C[C@@H]1C=C2)Nc1sc2c(n1)CCCCCC2	CoCoCo_500216	302.434	QWBJXVOZILQYSW-AGIUHOORSA-N	00000011100000000101000000000110000000000000000000000000	31-01-037851
O=C([C@@H]1C[C@@H]2C[C@H]1C=C2)Nc1sc2c(n1)CCCCCC2	CoCoCo_500217	302.434	QWBJXVOZILQYSW-YNEHKIRRSA-N	00000011100000000101000000000110000000000000000000000000	31-01-037852
s1c2c(CCCCC2)cc1C(O)C(CN)c1cccnc1	PC-id_80522176	302.434	XAKBSSCMYZEWHC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037853
s1c2c(CCCCC2)cc1C(O)C(CN)c1ccncc1	PC-id_80525060	302.434	VWQBHRMUTOEAOE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037854
s1c2c(CCCCC2)cc1C(O)C(CN)c1ncccc1	PC-id_80525614	302.434	NMIFYBWGQPWZRK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-037855
s1c2c(CCCCC2)cc1C(=O)N(C1CCCC1)CC#N	PC-id_64471489	302.434	JBEGRYXMGDGGGA-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-037856
s1c2c(CCCCC2)cc1C(=O)NC1(CCCCC1)C#N	PC-id_60704680	302.434	MHKSIGOOSRKZCN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-037857
s1c(nc(C(C)(C)C)c1)Cn1cc2CCCCC(=O)c2c1	PC-id_83206835	302.434	BIPOXJJPPSJKKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037858
s1c(NC(=O)C2C3CC(C2)C=C3)nc2c1CCCCCC2	PC-id_75262298	302.434	QWBJXVOZILQYSW-UHFFFAOYSA-N	00000011100000000101000000000110000000000000000000000000	31-01-037859
C1CCn2c(CC1)nnc2CCNC1CCc2c1scc2	MCULE-1476759072,EMOLS-id_318681470	302.438	HHBMYZMUMIVGEL-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-037860
C1CCn2c(CC1)nnc2CNC1CCCc2c1ccs2	EMOLS-id_318289849	302.438	JIEQMZIKKPOZGE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-037861
c1(C#N)c2CCCCCc2sc1N=CN1CCN(CC1)C	ChEMBL-DNDi_CHEMBL1580107,MCULE-6179511806,CHEBI:115688,PC-id_5419687	302.438	FCMGAQVDVZZVMS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-037862
CC1(C)Cc2n[nH]cc2CN(Cc2csc(C3CC3)n2)C1	MCULE-8487579844,PC-id_136553149,EMOLS-id_316900329,ZINC22_664868499	302.438	WZQJQLPBWZCMCV-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-037863
CCC(c1ccc(cc1)Sc1nnc2n1CCCCC2)N	PC-id_108314860	302.438	QXXCCUWJUYYVOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037864
CCC(c1ccccc1Sc1nnc2n1CCCCC2)N	PC-id_115995784	302.438	NTNHPSILXPGTFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037865
CC[C@H](c1ccccc1Sc1nnc2n1CCCCC2)N	PC-id_103959487	302.438	NTNHPSILXPGTFZ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037866
CC[C@@H](c1ccccc1Sc1nnc2n1CCCCC2)N	PC-id_103959488	302.438	NTNHPSILXPGTFZ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037867
CC[C@@H](c1ccc(cc1)Sc1nnc2n1CCCCC2)N	PC-id_108314859	302.438	QXXCCUWJUYYVOM-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037868
CC[C@H](c1ccc(cc1)Sc1nnc2n1CCCCC2)N	PC-id_108314861	302.438	QXXCCUWJUYYVOM-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037869
CN1CCN(CC1)/C=N/c1sc2CCCCCc2c1C#N	ZINC22_37868857,PC-id_9568654,CoCoCo_5983825,BindingDB-id_238819,STOCK2S-29908,TIMTEC140560,EMOLS-id_26269336,BindingDB_PC-id_9568654	302.438	FCMGAQVDVZZVMS-LDADJPATSA-N	00000000100010000101000000000010000000000000000000000000	31-01-037870
CNCc1cc(C)ccc1Sc1nnc2n1CCCCC2	PC-id_108221070	302.438	BEHKEUHJDSXGHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037871
Nc1ccc(cc1)CCCSc1nnc2n1CCCCC2	PC-id_104183193	302.438	UDESADOTCLQJHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037872
Nc1cccc(c1)CCCSc1nnc2n1CCCCC2	PC-id_104183194	302.438	CHOQIODKDZQNAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037873
NCc1ccc(c(c1)C)CSc1nnc2n1CCCCC2	PC-id_114484731	302.438	DFVDWGPVXVSIPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037874
N#Cc1c(/N=CN2CCN(CC2)C)sc2c1CCCCC2	CoCoCo_5983826	302.438	FCMGAQVDVZZVMS-PDGQHHTCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-037875
NCCc1cc(C)ccc1Sc1nnc2n1CCCCC2	PC-id_108236121	302.438	PDPRXDYIKAGQJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037876
S1C(=Nc2nc(c(cc2C)C)C)N2N(CCCCC2)C1=C	PC-id_59883585	302.438	SRNTXTZUIMBAJA-UHFFFAOYSA-N	00000010000000101101000000000010000000000000000000000000	31-01-037877
S(c1n2CCCCCc2nn1)c1c(cc(cc1)CNC)C	PC-id_63805807	302.438	JJNAWYRNYMNDAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037878
S(c1n2CCCCCc2nn1)c1cc(c(CCN)cc1)C	PC-id_63819966	302.438	FMONNPGQUNWDAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037879
S(c1n2CCCCCc2nn1)c1c(cc(CCN)cc1)C	PC-id_63820305	302.438	JHKRSSDHWKORFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037880
S(c1n2CCCCCc2nn1)c1ccc(CC(N)C)cc1	PC-id_63819967	302.438	KYTXDMQSRKAHPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037881
S(c1n2CCCCCc2nn1)c1cc(c(CNC)cc1)C	PC-id_63806329	302.438	ZLOHSDXPBUUNHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037882
S(c1n2CCCCCc2nn1)c1ccc(C(NC)C)cc1	PC-id_43286352	302.438	NQRMJFPDSPIBHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037883
S(c1n2CCCCCc2nn1)c1ccc(CNCC)cc1	PC-id_63806327	302.438	WHBPSIBTKMGMOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037884
S(c1n2CCCCCc2nn1)c1c(CC(N)C)cccc1	PC-id_63820133	302.438	OLZFZJUQFLIVEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037885
S(c1n2CCCCCc2nn1)c1c(C(NC)C)cccc1	PC-id_43286351	302.438	YHCBUAJVGLGNMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037886
S(c1n2CCCCCc2nn1)c1c(CNCC)cccc1	PC-id_63805809	302.438	ALNVTAVNYXAWAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037887
S(c1n2CCCCCc2nn1)C(c1ccc(cc1)C)CN	PC-id_61614790	302.438	MFUIQENIROZPSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037888
S(c1n2CCCCCc2nn1)C(c1cc(ccc1)C)CN	PC-id_61617588	302.438	TXGLBPADPIYBPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037889
S(c1n2CCCCCc2nn1)C(c1c(cccc1)C)CN	PC-id_61619950	302.438	UQBINAFLGIKQSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037890
S(c1n2CCCCCc2nn1)CCCNc1ccccc1	PC-id_62577929	302.438	SHGFHIVPWZYPIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037891
S(c1n2CCCCCc2nn1)C(CCN)c1ccccc1	PC-id_62779893	302.438	RWNWYSFPYQLECT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037892
S(c1n2CCCCCc2nn1)CC(CN)c1ccccc1	PC-id_64537852	302.438	YBJVLJYHGYLNCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037893
S(c1n2CCCCCc2nn1)CCNc1cc(ccc1)C	PC-id_62576276	302.438	MBURLBSFTSKCAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037894
S(c1n2CCCCCc2nn1)CCNc1ccc(cc1)C	PC-id_62576478	302.438	GCEFAQJOSXMFQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037895
S(c1n2CCCCCc2nn1)C(CNc1ccccc1)C	PC-id_62577103	302.438	XDXNGEWSEPZXLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037896
S(c1n2CCCCCc2nn1)CCNc1c(cccc1)C	PC-id_62578994	302.438	DHHIJNOZSYELHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037897
S(c1n2CCCCCc2nn1)CC(N)c1c(cccc1)C	PC-id_64648723	302.438	DDYRWFBTCRQVRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037898
S(c1n2CCCCCc2nn1)CC(N)c1ccc(cc1)C	PC-id_64648916	302.438	FPJBMIJBAGHXPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037899
S(c1n2CCCCCc2nn1)CC(N)c1cc(ccc1)C	PC-id_64649508	302.438	NIVHSFQFOKEKEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037900
S(c1n2CCCCCc2nn1)C(CNC)c1ccccc1	PC-id_62577720	302.438	FWKNESCSYWJQLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037901
S(c1n2CCCCCc2nn1)CCNCc1ccccc1	PC-id_62578995	302.438	KBGKDCIXVIFCSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037902
S(c1n2CCCCCc2nn1)CC(NC)c1ccccc1	PC-id_64648141	302.438	QJAFQHHKHAIZFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037903
S(C(C(N)c1ccccc1)C)c1n2CCCCCc2nn1	PC-id_64648333	302.438	YKBBPKHTQINZEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037904
S(C(C(N)C)c1ccccc1)c1n2CCCCCc2nn1	PC-id_61614460	302.438	RHPAWAPCQKBTSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037905
C/C/1=CCC[C@](C)(O)/C=C/[C@H](C(C)C)CCc2coc(c2)C1	CHEMBL387650,PC-id_16216160,UNPD197336	302.451	SERTTYWXOQCADY-KKUMVBAPSA-N	00000000100000000110000000000010000000000000000000000000	31-01-037906
OC1(/C=CC(CCc2coc(c2)C/C(=C/CC1)/C)C(C)C)C	CNP0210527	302.451	SERTTYWXOQCADY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-037907
O=C1CCCCCCCCCCCCc2cc(/C(=C
)/C)co2	PC-id_101365601	302.451	UTDIURBWMWNYPB-VKAVYKQESA-N	00000000100000000110000000000010000000000000000000000000	31-01-037908
OC(c1cc2c(s1)CCCCC2)CCCS(=O)(=O)C	PC-id_115780183	302.453	YBLBIKGXKHJFGE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037909
c1(C#N)c2CCCCCCCCCCCCCCc2oc1N	STOCK1S-34928,ZINC22_4785595,PC-id_3123530,MCULE-1949316046,EMOLS-id_4387837	302.454	HQCYAZDKENSWEC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037910
CCN(S(=O)(=O)c1sc2c(c1C)CCNCC2)CC	PC-id_142687007	302.456	YVMZOPNPAMARNE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037911
NNC(c1cc2c(s1)CCCCC2)CCS(=O)(=O)C	PC-id_114984993	302.456	XSPQSFFZDFRIKJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037912
c1(CN(C)CCN2C[C@@H]3C[C@H]2CC3)c2CCCCCc2[nH]n1	MCULE-2714623386,EMOLS-id_55670053,ZINC22_244633538	302.458	GERNDEATADWAKD-LSDHHAIUSA-N	00000010100000000101000000000110000000000000000000000000	31-01-037913
CC12CCC(C1(C)C)CC2NCc1nnc2n1CCCCC2	EMOLS-id_318203138,MCULE-5939776737	302.458	BUFHVIUGNGYFFX-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-037914
C[C@@]12C[C@@H](CC(C)(C)C1)N(Cc1cc3CNCCCn3n1)C2	ZINC22_72151882,PC-id_56905400,EMOLS-id_43145964,MCULE-1617955763	302.458	MWVXGICRLZBTAL-SJLPKXTDSA-N	00000010100010000101000000000110000000000000000000000000	31-01-037915
CC1(C)[C@H]2CCC[C@H]2C1NCCc1nnc2n1CCCCC2	MCULE-3197245158,EMOLS-id_319894274	302.458	YBNDDAPABDRTMF-LICQEQMYSA-N	00001010100000000101001000000010000000000000000000000000	31-01-037916
C=CCC1N(CCCC1(C)C)Cc1nnc2n1CCCCC2	EMOLS-id_75976183,PC-id_119049743,MCULE-7874682613	302.458	HDGWWWZICUVYSO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-037917
C=CC[C@@H]1N(Cc2nnc3n2CCCCC3)CCCC1(C)C	ZINC22_252485763	302.458	HDGWWWZICUVYSO-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-037918
C=CC[C@H]1N(Cc2nnc3n2CCCCC3)CCCC1(C)C	ZINC22_252485764	302.458	HDGWWWZICUVYSO-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-037919
CN(CCN1CC2CCC1C2)Cc1n[nH]c2c1CCCCC2	PC-id_91838173	302.458	GERNDEATADWAKD-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-037920
CN(CCN1C[C@@H]2CC[C@H]1C2)Cc1n[nH]c2c1CCCCC2	ZINC22_1076073281	302.458	GERNDEATADWAKD-CABCVRRESA-N	00000010100000000101000000000110000000000000000000000000	31-01-037921
CSc1ccc(cc1)/C=C/c1sc2c(n1)CCCCN2	SCHEMBL9306409,PC-id_15069558	302.458	HCQXGHBMAKAQLU-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037922
N1(C2CC(CC(C2)(C)C)(C1)C)Cc1nn2c(c1)CNCCC2	PC-id_76437441	302.458	MWVXGICRLZBTAL-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-037923
s1c2NCCCCc2nc1C=Cc1ccc(SC)cc1	PC-id_53870323	302.458	HCQXGHBMAKAQLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037924
CCCCN=c1sc2c(n1C=C)C=CC(C=C2)(C)C(C)C	PC-id_144812868	302.477	OJPQINZSZMQUAU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-037925
s1cc(CCn2cc3C(NCCC)CCCCc3c2)cc1	PC-id_83210056	302.477	GVUHJNQUHXCCRM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-037926
s1c(CCn2cc3C(NCCC)CCCCc3c2)ccc1	PC-id_83209671	302.477	LCSIZZNFSFUOQF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-037927
s1c(Cn2cc3C(NCC)CCCCc3c2)ccc1CC	PC-id_83211152	302.477	CDSVLFJBXCPJJJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-037928
Clc1c(c2-c(c1)ccccc2OCC)C(=O)C(F)(F)F	PC-id_13465576	302.676	HBJWJMYZOYXWPP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037929
Clc1c(c2-c(c1)c(OCC)cccc2)C(=O)C(F)(F)F	PC-id_13465575	302.676	CFWANXVDFMUTAP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037930
ClCC(=O)OC(c1c2-c(cc1)ccccc2)C(F)(F)F	PC-id_86062910	302.676	RMEKFJBDPUBAEI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037931
C1CCc2c([nH]nc2C(=Cc2ccc(cc2)Cl)C1)C(=O)O	PC-id_87089243,SCHEMBL300513	302.755	AQXDELFFQBQMHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037932
C1CCc2c([nH]nc2C(=Cc2cc(ccc2)Cl)C1)C(=O)O	SCHEMBL4223942,PC-id_87637116	302.755	BYSGITHLTAOKOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037933
Clc1cc(/C=C/2CCCCc3c2n[nH]c3C(=O)O)ccc1	SCHEMBL4912008,PC-id_69238708	302.755	BYSGITHLTAOKOO-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037934
Clc1c(OC2CCN(Cc3occc23)C)ccc(c1)C#N	PC-id_68411226	302.755	OVRVRVYUGHCUMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037935
Clc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2C(=O)O	PC-id_69239899,SCHEMBL4915235	302.756	AQXDELFFQBQMHK-PKNBQFBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037936
COCCn1nc2CCN(CCn2c1=O)C(=O)C(C)Cl	MCULE-2876145907,EMOLS-id_324059065,PC-id_146072743	302.757	UZKPVXKTAOUWEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037937
N#Cc1ccc(c(n1)NCc1nnc2n1CCCCC2)Cl	MCULE-7490891349,EMOLS-id_320186105	302.762	SRYJAXISNGOBMK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037938
N#Cc1cnc(c(c1)Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318751396,MCULE-1561111211	302.762	ZJHRVIGJSLDTME-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037939
N#Cc1nc(ccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318629620,MCULE-7811444043	302.762	WOPVRYWEPZKTJM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037940
Clc1cc(CC2CCCCCc3c2[nH]nc3C=O)ccc1	SCHEMBL3540278,PC-id_59551051	302.799	CWYDXMNVJCOPKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037941
Clc1ccc(NC2=NCC(Cc3oc(cc23)C)(C)C)cc1	PC-id_10425047	302.799	IJUZVRSPRVTNIQ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-037942
Clc1c(NC2=NCC(Cc3oc(cc23)C)(C)C)cccc1	PC-id_11722488	302.799	TWWGUSYHQQDMHR-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-037943
O=C(N1CCc2c(C(C1)C)nc(s2)Cl)OC(C)(C)C	PC-id_138670645,SCHEMBL21040989	302.82	XBUXDBVFJFPPAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037944
Clc1ccc(Cn2cc3C(NCC)CCCCc3c2)cc1	PC-id_83210942	302.842	IMHZFCFSSAKNEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037945
Clc1cc(Cn2cc3C(NCC)CCCCc3c2)ccc1	PC-id_83211939	302.842	NUCBAJCEGTYGPC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037946
Clc1c(Cn2cc3C(NCC)CCCCc3c2)cccc1	PC-id_83210943	302.842	DCECGAHQAAFPEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037947
ClCCCN1CCCc2c(C1)ccn2Cc1ccccc1	PC-id_142626508	302.842	ZRPWAEHZRTZEJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037948
CNC1CCCCc2c1cn(c2)Cc1ccc(cc1Cl)C	PC-id_106865963	302.842	DORNAPGSLCWVKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037949
CCCCC1(CCCC)COc2c(OC1)csc2Cl	PC-id_102346958	302.86	JTNUBXHUNHZXSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037950
C1C(=CC=NC2=C(C=NN21)C(=O)O)I	PC-id_164866402	302.95	IDQIQQFUNPEPRU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-037951
CCCN1B(C)Nc2cccn2C(C(N(B1C)N)CC)(C)C	PC-id_144358232	303.062	FUCVHQQNBOWUER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037952
CCCN1B(C)Nc2ccnn2C(C(N(B1C)C)CC)(C)C	PC-id_144358470	303.062	UQXWOONKBLLRDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037953
Brc1c(c2-c(c1)ccccc2)C(=O)C(F)(F)F	PC-id_85856835	303.075	QCOOWYZZTSCKNW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037954
O=C(c1cc(Br)c2-c1ccccc2)C(F)(F)F	CNP0252164,PC-id_580984	303.075	FLJKOBYGQRTJNH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037955
CCOC(=O)CC1=C(C2=C(N1)C(=O)C=CC=C2)C(=O)OCC	PC-id_154342941	303.111	COUJECAKZOOAKE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-037956
OC(=O)NC1CCn2c(N(C1=O)C)cc(n2)Br	SCHEMBL19641639	303.113	YBCQPMDJCYYZFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037957
CCN1C2=C(C(CCC(CC2)OCC(=O)OC)(F)F)N=N1	PC-id_155054567	303.139	YIFLVLMKRSIVBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037958
Ic1cn2CCCC(C(=O)c2c1)(C)C	SCHEMBL14249619,PC-id_71118064	303.139	IXMJAZHWBPFMTQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037959
COC1=CC=CC=C1SCC2=NN=C3N2CCCCCC3	MCULE-9555452574,EMOLS-id_317777068,PC-id_154781737	303.141	UWJQBGBYDYQJPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037960
CC1=NC=C(C(=O)N1)CNC(=O)C2CCC3=NN=NN3CC2	EMOLS-id_317321698,MCULE-6044284905,PC-id_154763050	303.144	DXXCHSDXFURAIN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037961
CCN1C=NC(=N1)C(=O)N[C@H]2CCN3C(=CC=N3)N(C2=O)C	PC-id_149186898	303.144	XCAUIVSLKHNGEC-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-037962
CCOC(=O)C1=CN(C2=C1C=CCC=C2)C(=O)OC(C)(C)C	PC-id_154453490	303.147	ZHHGAPKEHFYHPZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-037963
CCOC(=O)c1c(Br)nn2C(C)CCCOc12	EMOLS-id_337727358	303.152	HIYFSWRCTGSEOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037964
Cc1nc2c(s1)C=CC(C=C2)(C)I	PC-id_141858301	303.163	AZXRWKYGGGMTEF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-037965
Brc1sc2CCCC(C(=O)c2c1)CC(=O)O	SCHEMBL9737476,PC-id_19874053	303.172	PQJFFHWYKKYEDT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037966
Brc1sc2CCCC(C(=O)c2c1)C(=O)OC	SCHEMBL3143474,PC-id_68527436	303.172	KPNFSWOYGLHBOE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037967
CCOC1=CC(=CC(=C1)CN2CCCC3=C(C2)C=NN3C)F	EMOLS-id_317350913,PC-id_154769006,MCULE-5960311369	303.175	BTDDDIWFVOXSFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037968
O=C(c1noc2c1CCCCC2)NC1CC(C1)(Cl)Cl	EMOLS-id_319022074	303.184	DQMRHFQQARIXBM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-037969
O=C(C1CCn2c(CC1)nnc2)NC1CC(C1)(Cl)Cl	EMOLS-id_320227191,MCULE-4201039890	303.188	KDEJVMZUBPYMQG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-037970
S(c1n2CCCCCc2nn1)Cc1cc(ccc1)B(O)O	PC-id_61534623	303.188	ZYSNTZOUWNVQRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037971
S(c1n2CCCCCc2nn1)Cc1c(cccc1)B(O)O	PC-id_61534624	303.188	RETBZNVYQMYUPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037972
S(c1n2CCCCCc2nn1)Cc1ccc(cc1)B(O)O	PC-id_61534652	303.188	RBCTZDMABGESIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037973
CCC1=CN=C(O1)CNC(CC)C2=NN=C3N2CCCCC3	EMOLS-id_317272059,PC-id_154741558,MCULE-3328734704	303.206	YMZSVYXMTCIAOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037974
c1(NC(=O)C(Cl)Cl)sc2c(CCCCC2)c1C#N	MCULE-4078056402,TIMTEC543435,PC-id_3315701,EMOLS-id_3992520,CoCoCo_6803077	303.207	XEBHKXDUMWBGEI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-037975
CCN1C(=C(N=N1)C)CN[C@H](C)C2=NN=C3N2CCCCC3	MCULE-4345709807,EMOLS-id_317724612,PC-id_154785103	303.217	TVZICSMRFXQPDQ-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037976
Brc1c2OCC(N=C(N)c2sc1)CCCC	SCHEMBL8194996,PC-id_53715372	303.219	CDJXDAPVEMAZBW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-037977
C[C@H](C1CCCCC1)NC(=O)C2=NNC3=C2CCCCCC3	PC-id_160428218	303.231	QISVCXLBIXBSHG-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-037978
C[C@@H](C1CCCCC1)NC(=O)C2=NNC3=C2CCCCCC3	PC-id_160428219	303.231	QISVCXLBIXBSHG-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-037979
Brc1cc(c2-c1ccccc2)C#C[Si](C)(C)C	PC-id_101760879	303.269	PSITYQIHXNQMGB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037980
O=C1C=Cc2n(C/C/1=Cc1ccc(cc1)C(F)(F)F)ccc2	PC-id_101582954	303.278	WZXBRHJUGHFQHZ-JLHYYAGUSA-N	00000000100000110110000000000010000000000000000000000000	31-01-037981
O=C(c1cnc2n1CCCCC2)N1CC(C1)(O)C(F)(F)F	EMOLS-id_319501096	303.28	LRXLWGHPRSNETA-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-037982
O=C(N1CCOC1C(F)(F)F)c1n[nH]c2c1CCCCC2	EMOLS-id_278956238	303.28	CYBDJLSPIPEJRT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-037983
Fc1c(NC(=O)c2c3c(oc2)CCCCC3=O)ccc(O)c1	PC-id_59917845,SCHEMBL6761917	303.285	DQYIEFXGLOPTLK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-037984
c12C(=O)N(CCCn1nc(C(=O)O)c2)Cc1ccc(cc1)F	PC-id_53213604,EMOLS-id_31512474,MCULE-4240924893	303.288	IOADUWLNDCNEPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037985
O=C1[O+]=C2C(=CC=CC=C2)C1=Cc1c(=O)oc2-c1ccccc2	PC-id_101247848	303.288	JFQAYFLCYWBEBU-UHFFFAOYSA-N	00000011100000000110000000000110000000000000000000000000	31-01-037986
c12cc(C(=O)OC)c(=O)c(C(=O)OC)cc1c(n(C)c2C)C	ZINC22_218891107,MCULE-8768905442,EMOLS-id_50607575	303.31	GVMVHKQMJHLVRJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-037987
CCOC(=O)/C=C/COC1=Cc2occc2CC=C1/C=N/O	PC-id_142864005	303.31	SLTGHRVWYKPIDQ-CRXRTXPVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-037988
CCOC(=O)Cn1c(=O)c(c2-c1ccccc2)C(=O)OCC	PC-id_12852660,SCHEMBL11271085	303.31	KWYQCTWPEVDDGK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037989
N#Cc1cc(F)c(c(c1)F)NCc1nnc2n1CCCCC2	EMOLS-id_318381613	303.31	GEVYHDGOASREML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-037990
COc1coc(cc1=O)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319473574	303.313	JYBPFXOFLMKGDI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037991
O=C(N1CCCc2c(C1)cco2)Cc1c(C)[nH]c(=O)[nH]c1=O	EMOLS-id_319625867	303.313	MKQYBPPGUJORCZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-037992
O(C(=O)N(NC(=O)OCC)c1c2-c(ccccn2)cc1)CC	PC-id_13486340	303.313	AILFNISAQDOGHK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037993
O(C(=O)N(NC(=O)OCC)c1c2-c(ncccc2)cc1)CC	PC-id_13486339	303.313	CPKCJSRTIQQMFY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-037994
O(C(=O)c1c(Nc2nc3-c(c2C#N)ccccc3)cccc1)C	PC-id_9995135	303.315	PFKSNXZKLMNQMJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-037995
c1(C(=O)N2CCc3c(c(=O)[nH][nH]3)CC2)n[nH]c2CCOCc12	MCULE-1591695411,PC-id_91834946,EMOLS-id_55647938,ZINC22_244594032	303.316	DFIMVJNDMYENFP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-037996
Cc1ccc(C(=O)N2CCc3nn(C)c(=O)n3CC2)c(O)n1	EMOLS-id_97099441,MCULE-4951636780	303.316	YODBUIKREHKGHG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037997
Cn1cc(c(n1)NC(=O)c1noc2c1CCCCC2)C(=O)N	EMOLS-id_50354257,PC-id_91650320,MCULE-4709331568	303.316	LXYNTVNKTPPCAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-037998
COc1ccc(cn1)C(=O)N1CCc2nn(C)c(=O)n2CC1	PC-id_91910623,EMOLS-id_50585879,MCULE-1471636610	303.316	WGCXQFWVMVITOK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-037999
COc1ccc(C(=O)N2CCc3nncn3CC2)c(OC)n1	MCULE-1761200991,PC-id_42449418,EMOLS-id_232707963,ZINC22_12184172	303.316	DVWAFLUXHGVELZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038000
n12CCN(CCc1nn(CC1CC1)c2=O)C(=O)c1cnco1	MCULE-7425340228,PC-id_91922547	303.316	KEHHVBLBZLCEBZ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-038001
O=C(c1ccc(n1C)[N+](=O)[O-])N1CCCc2c(C1)cnn2C	EMOLS-id_112009709	303.316	JCKVOEHZPCPLJX-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-038002
O=C(c1n(C)ncc1C(=O)O)N1CCCc2c(C1)cnn2C	EMOLS-id_316603921	303.316	SLRJQELVDHYXLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038003
O=C(N1CCCn2nc(cc2C1)C(=O)NO)c1n(ccc1)C	SCHEMBL12210580,PC-id_58465752	303.316	UTTWAPZXPKRQRU-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-038004
O=C(O)Cn1ccc(NC(=O)c2cnc3n2CCCCC3)n1	MCULE-9482739972,ZINC22_621708423,EMOLS-id_316330377	303.316	RZJBVBKSZJXBOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038005
C=CCOCc1nnc2n1CCN(CC2)C(=O)c1ncn[nH]1	PC-id_97405396	303.32	KMVQHHNANTZIEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038006
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(CC(F)(F)F)(C)C	EMOLS-id_318881208	303.323	MKHKQDNLGATUAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038007
CCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)CC(F)(F)F	MCULE-1079071088,EMOLS-id_320221941	303.323	WHBTVBRHYJFXQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038008
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCC	PC-id_19523687	303.323	WVKWXWCCEYCXNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038009
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(C)C	PC-id_19523690	303.323	PHYODBZJJPMYRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038010
FC(F)(F)CNC(=O)Cn1cc2C(NC)CCCCc2c1	PC-id_83211544	303.323	XWODWMPDGURWAW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-038011
FC(C1CCCC(C1)NC1CCn2c(CC1)nnn2)(F)F	EMOLS-id_102000525	303.327	XTIBVDCROZMFQA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-038012
Fc1cccc(c1)C(CC(=O)N1CCCc2c(C1)cco2)O	EMOLS-id_318767378	303.328	YFOHBLUVYAZHDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-038013
c1(ccc2NC(=O)/C(=C/c3cc(c4-c3ccccc4)C)/c2c1)F	BindingDB_PC-id_25264354,CHEMBL1257804,SCHEMBL3290777	303.33	QJSLBNHQZCNYHL-VCHYOVAHSA-N	00000010100000100110000000001010000000000000000000000000	31-01-038014
c1(ccc2NC(=O)/C(=Cc3cc(c4-c3ccccc4)C)/c2c1)F	BindingDB_PC-id_52945586,SCHEMBL3282652,CHEMBL1257805,PC-id_52945586	303.33	QJSLBNHQZCNYHL-ZDLGFXPLSA-N	00000010100000100110000000001010000000000000000000000000	31-01-038015
Fc1cc2C(=Cc3c4-c(c(c3)C)ccccc4)C(=O)Nc2cc1	PC-id_25264354	303.33	QJSLBNHQZCNYHL-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-038016
c12CN(CCCc1n(nc2)C)C(=O)COc1ccccc1F	AOP-19035204,PC-id_92427861,MCULE-4570994279,EMOLS-id_360480,ZINC22_12235255	303.331	ILQFSBUMRTZEQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038017
c12CN(CCCc1n(nc2)C)C(=O)COc1cccc(F)c1	PC-id_92566450,AOP-19177715,EMOLS-id_428732,ZINC22_19289638,MCULE-1547918074	303.331	REUJHUIFNVEYNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038018
c12C(=O)NCC(C)(C)Cc1[nH]c(COc1ccc(cc1)F)n2	ZINC22_95355359,PC-id_72846066,EMOLS-id_46603646,MCULE-3208102247	303.331	VACIDTOEAAJHHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038019
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1ccccc1F	EMOLS-id_319087997	303.331	AITPYNXXZNGNDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038020
Cn1c2CCCN(Cc2c(=O)n1C)C(=O)c1cccc(F)c1	EMOLS-id_44335417,PC-id_97471107,ZINC22_96201043	303.331	LDCLQTJSQKINNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038021
COc1ccc(cc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)F	EMOLS-id_320183370,MCULE-5602262299	303.331	MWOBXZHSUDXJOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038022
COc1cc(ccc1F)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318972007	303.331	JABCAWGRFJXYRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038023
COc1ccc(cc1F)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319512034	303.331	OEJKZHNBEBNQRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038024
COc1ccc(c(c1)F)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320115216,MCULE-3911374996	303.331	SQNWXKCFYRIWLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038025
COc1cccc(c1F)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-7282860983,EMOLS-id_320255762	303.331	IRXVYTMYFJEQEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038026
COc1ccc(cc1F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318411632	303.331	XZJFGXRFSCRDCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038027
COc1ccc(c(c1)F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318434668	303.331	KCHZJGBQMLBHLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038028
COc1cc(cc(c1)F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318537518	303.331	MAKZDOYHYCRQFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038029
COc1cc(ccc1F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318662413	303.331	VSSHDLHYZDPMAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038030
COc1cccc(c1F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318670369	303.331	CEFSTXUUFJTGKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038031
COc1ccc(cc1NC(=O)c1cnc2n1CCCCC2)F	EMOLS-id_318618355	303.331	IIQIDPZKTBCXQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038032
COc1cc(F)ccc1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318522362	303.331	SAFKZGYZWKHVHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038033
COc1nn(c2c1CCCN(C2)C(=O)c1ccc(cc1)F)C	PC-id_97404591	303.331	WUTMCUGZVWDSRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038034
COc1nn(C)c2c1CCCN(C(=O)c1ccccc1F)C2	ZINC22_96254457,EMOLS-id_44366618,PC-id_97515508	303.331	KHJRREKWZOVSMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038035
COc1nn(C)c2c1CCCN(C(=O)c1cccc(F)c1)C2	PC-id_97515509,ZINC22_96254458,EMOLS-id_44366620	303.331	SDCCFRJVRHAORE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038036
COCC1CCn2nccc2CN1C(=O)c1ccccc1F	EMOLS-id_313820453	303.331	YFHLPMDKHBDZJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038037
COC[C@H]1CCn2nccc2CN1C(=O)c1ccccc1F	ZINC22_585098431	303.331	YFHLPMDKHBDZJP-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038038
COC[C@@H]1CCn2nccc2CN1C(=O)c1ccccc1F	ZINC22_585098434	303.331	YFHLPMDKHBDZJP-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038039
COC(=O)C1CCc2n(CC1)c(nn2)Cc1ccccc1F	MCULE-2056487092,EMOLS-id_313167426	303.331	HNKCVRWXJHQJHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038040
COC(=O)C1CCc2n(CC1)c(nn2)Cc1ccc(cc1)F	MCULE-2441636239,EMOLS-id_316952641,PC-id_136557171	303.331	QEDVBQUZILFXMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038041
COC(=O)[C@H]1CCc2nnc(Cc3ccccc3F)n2CC1	PC-id_164638420,ZINC22_601043704	303.331	HNKCVRWXJHQJHP-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-038042
COC(=O)[C@@H]1CCc2nnc(Cc3ccccc3F)n2CC1	ZINC22_601043680	303.331	HNKCVRWXJHQJHP-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038043
COC(=O)[C@@H]1CCc2nnc(Cc3ccc(F)cc3)n2CC1	ZINC22_601044452	303.331	QEDVBQUZILFXMN-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038044
COC(=O)[C@H]1CCc2nnc(Cc3ccc(F)cc3)n2CC1	ZINC22_601044453	303.331	QEDVBQUZILFXMN-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038045
Fc1cncc(c1)[C@@H](NC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_101616271	303.331	AJFUXOGGYDVAMM-NSHDSACASA-N	00000000100000101100000000000010000000000000000000000000	31-01-038046
FCCC(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751043	303.331	KZZKGDSVOUKKNR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038047
OCc1ccc(cc1F)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845264	303.331	QPHSEZZTPUWDNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038048
O=C(c1cccc(c1F)O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_320035244,MCULE-5176789707	303.331	MYWHHMPWNUTEFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038049
O=C(c1ccc(c(c1)O)F)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318886011	303.331	RYXMMAZMJHTLNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038050
O=C(CCF)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575404007	303.331	KZZKGDSVOUKKNR-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038051
O=C(CCF)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575404008	303.331	KZZKGDSVOUKKNR-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038052
O=C(N1CCCc2c(C1)cnn2C)Cc1ccc(c(c1)F)O	EMOLS-id_101678417	303.331	XSWBBPYPLZQZIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038053
Cc1c(cc(cc1)CNC(=O)C1CCc2nnnn2CC1)F	MCULE-3549971798,EMOLS-id_316878527,PC-id_136549859	303.335	FIFYILYBPNOKAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038054
Cc1ccc(c(c1)F)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319862271,MCULE-7661139321	303.335	SCKYOXKHZFGZHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038055
Fc1ccc(c(c1)C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318878810	303.335	QKUGSPBYQSWBRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038056
Fc1ccc(cc1)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319047638	303.335	JIRNDZBDJLRVMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038057
Fc1ccc(cc1)C(=O)NCCc1nnc2CCNCCn12	MCULE-4092347926,EMOLS-id_68891991,ZINC22_299763603,PC-id_118759384	303.335	PBEYADYRNHPOIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038058
Fc1ccc(NC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51185985	303.335	MLNVKSSWKVLHAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038059
Fc1cc(NC(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_60447362	303.335	MFXHEZAUZLLFSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038060
Fc1c(NC(=O)NCc2n3CCCCCc3nn2)cccc1	PC-id_51185984	303.335	FLLYOQUXOFPLFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038061
Nc1cc2n(n1)CCCN(C2)C(=O)Nc1c(C)cccc1F	EMOLS-id_319503380	303.335	BVFHCFHCDDDESB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038062
Nc1cc2n(n1)CCCN(C(=O)NCc1ccccc1F)C2	ZINC22_1775991731,EMOLS-id_317033289,MCULE-3057965234	303.335	UBSZDYZBCBXPBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038063
O=C(c1cc(C)c(c(c1)C)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102181032	303.335	LWYUOIKRHIZMAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038064
O=C(N1CCCn2c(C1)cc(n2)N)Nc1cccc(c1C)F	EMOLS-id_319071587	303.335	VNVRQOVHYVLQCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038065
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc(c(c1)C)F	MCULE-4101714740,EMOLS-id_319953296	303.335	DUHSSAHJIZWAPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038066
O=C(N1CCCn2c(C1)cc(n2)N)Nc1cccc(c1F)C	MCULE-9017266660,EMOLS-id_320247872	303.335	DRWPXROBBMEFPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038067
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Cc1ncn(CCNC(=O)[C@H]2CCCCn3nnnc23)c1C	ZINC22_584900337	303.363	BLHHFQLWXMWJGE-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038245
Cc1nnnn1CCC(=O)NCc1n[nH]c2c1CCCCC2	EMOLS-id_177460661,ZINC22_584897482,MCULE-2024053706	303.363	FWKOGMKCSUUHOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038246
CCc1nn(c(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)C	MCULE-8754915005,EMOLS-id_320013845	303.363	FKDFCWNOEIRMPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038247
CC(C)n1ccnc1CNC(=O)[C@@H]1CCCCn2nnnc12	ZINC22_534591360	303.363	ZUGUJJXLXOLEKY-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038248
CC(C)n1ccnc1CNC(=O)[C@H]1CCCCn2nnnc12	ZINC22_534591361	303.363	ZUGUJJXLXOLEKY-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-038249
CCCn1ncc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319990068,MCULE-7192992476	303.363	ZIFGPMLTFCBHIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038250
CC(C)NC(=O)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	PC-id_97463102,ZINC22_96188669	303.363	KBTUXWJMTNIKSU-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038251
CC(C)NC(=O)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_96188668,PC-id_97463101	303.363	KBTUXWJMTNIKSU-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038252
CC(C)NC(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_44326509	303.363	KBTUXWJMTNIKSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038253
C[C@H](NC(=O)CCn1cncn1)c1nnc2n1CCCCC2	PC-id_93976370,ZINC22_43975389	303.363	YYTPRQOZWXOHCQ-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-038254
C[C@@H](NC(=O)CCn1cncn1)c1nnc2n1CCCCC2	PC-id_93976371,ZINC22_43975394	303.363	YYTPRQOZWXOHCQ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038255
CCn1cc(NC(=O)NCc2nnc3n2CCCCC3)cn1	EMOLS-id_45751678,PC-id_71895915,MCULE-5892555213,ZINC22_43645682	303.363	YANZNHPATZHKCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038256
CCn1ncc(c1)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319109330	303.363	JOESSHJLMOFWKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038257
CCn1ncnc1[C@@H](C)NC(=O)c1nnc2n1CCCCC2	PC-id_100053644,ZINC22_220163437	303.363	APMYPOCWJFBQRQ-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038258
CCn1ncnc1[C@H](C)NC(=O)c1nnc2n1CCCCC2	ZINC22_220163493,PC-id_100053646	303.363	APMYPOCWJFBQRQ-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-038259
CCn1nnc(c1)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_279091154	303.363	WBLHRWYKZBIVAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038260
CCn1nncc1C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_97974814	303.363	VKFQSJXEBBIJFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038261
Cn1cc(c(n1)C(C)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102246864	303.363	VSVZYSHWBAVMQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038262
Cn1ccc(n1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318788925	303.363	XGEXVNLUJPJHOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038263
Cn1cc(CNC(=O)NCc2nnc3n2CCCCC3)cn1	MCULE-5448065546,EMOLS-id_276261860,ZINC22_54809409	303.363	HNAMVBRYXGIVBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038264
CN(C)CC(=O)N1CCCn2c(Cn3cccn3)nnc2C1	EMOLS-id_44370878,ZINC22_96259666,PC-id_97519748	303.363	ZQSQTRFEMALFIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038265
CN(C(=O)Nc1ccnn1C)Cc1nnc2n1CCCCC2	EMOLS-id_319445116	303.363	ZENUXUKJHUVIEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038266
n1ncn(CCCC(=O)NCc2c3CCCCCc3[nH]n2)n1	MCULE-5166517367,EMOLS-id_222760976,ZINC22_670444328	303.363	WYNCCLFEEVVYBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038267
N#CCCN1CCN(CC1)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_316688406	303.363	YTBBYPRKCWSUKM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-038268
O=C(C1CCn2c(CC1)nnn2)NCCc1c(C)n[nH]c1C	EMOLS-id_316915198,MCULE-6988707922	303.363	ZWEQBYHDWAANJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038269
O=C(C1CCn2c(CC1)nnn2)NCC(n1cccn1)(C)C	EMOLS-id_316720308	303.363	WTKUIWAMQBSFQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038270
O=C(C1CCn2c(CC1)nnn2)NCC(n1ccnc1)(C)C	EMOLS-id_316702405	303.363	LNKVFVPRQMOJAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038271
O=C(c1c[nH]nc1C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102176465	303.363	QFCUJIXGGKTQGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038272
O=C(c1cnn(c1)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102164500	303.363	LWTDWXBVROZGDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038273
O=C(Cc1ccn(n1)C(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_316635395	303.363	YCAVLSIFNHTJPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038274
O=C(Cn1ccnc1C(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_319680922	303.363	WEXVNHHFRUDNMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038275
O=C(N1CCCc2c(C1)cnn2C)NCCCc1n[nH]cn1	EMOLS-id_279078034	303.363	JTOJVOVMKRFAGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038276
O=C(N1CCCC(C1)C1(C)N=N1)C1CCn2c(CC1)nnn2	EMOLS-id_319511485	303.363	XIVDAYWTRFMRIA-UHFFFAOYSA-N	00110000100010000101100000000010000000000000000000000000	31-01-038277
O=C(N1CCC(CC1)C1(C)N=N1)C1CCn2c(CC1)nnn2	EMOLS-id_319661989	303.363	ASKBZZKJCRCSDL-UHFFFAOYSA-N	00110000100010000101100000000010000000000000000000000000	31-01-038278
O=C(N1CCCn2c(C1)cc(n2)N)Nc1cnn(c1)C(C)C	EMOLS-id_320268358,MCULE-9896174138	303.363	UFJXMGWRBIYMHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038279
O=C(N1CCCn2c(C1)cc(n2)N)NCCCn1cccn1	EMOLS-id_320328970,MCULE-9634911268	303.363	VLTYUGSVASRJTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038280
O=C(NC(c1n2CCCCCc2nn1)C)CCn1ncnc1	EMOLS-id_35694504,MCULE-5321728585,PC-id_53504233	303.363	YYTPRQOZWXOHCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038281
O=C(NCc1n2CCCCCc2nn1)Nc1n(nc(c1)C)C	PC-id_45821235	303.363	BGKBZRJKEFRLFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038282
O=C(NCCc1n2CCCCCc2nn1)Nc1cn(nc1)C	PC-id_78874702	303.363	ORMMJAFKLICRPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038283
O=C(N(C)C)CN1CCc2n(CC1)c(cn2)Cn1cncn1	PC-id_97390226	303.363	NABCUXCQRXEEKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038284
OCC(CNC(=O)c1sc2c(c1)CCCCCC2)(F)F	PC-id_104858277	303.368	WNFZSVAJIMZJAM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-038285
OC(C(F)F)CNC(=O)c1sc2c(c1)CCCCCC2	PC-id_103769876	303.368	YQIDAXGKJDZEBZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-038286
OCCN(C(=O)c1cc2c(s1)CCCCC2)CC(F)F	PC-id_107483276	303.368	PUJPKGCZBMXWTF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-038287
Cc1cc(F)ccc1[C@@H](O)CN1CCCc2c(cnn2C)C1	ZINC22_839627959	303.374	ODIJZNRMGWGFLQ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038288
Cc1cc(F)ccc1[C@H](O)CN1CCCc2c(cnn2C)C1	ZINC22_839627962	303.374	ODIJZNRMGWGFLQ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038289
CC1CN(Cc2c(C1)[nH]nc2)CC(c1ccc(cc1)F)(O)C	EMOLS-id_319971098,MCULE-6382055971	303.374	WIOGCJVTWURHIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038290
CCOc1ccc(cc1F)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319670943	303.374	PZTPBCHMTLLVAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038291
CCOCC1CN(Cc2ccccc2F)Cc2cncn2C1	EMOLS-id_49231071	303.374	XDYONTSKFACOAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038292
CCOCC1CN(Cc2ccc(F)cc2)Cc2ccnn2C1	EMOLS-id_46148565	303.374	PEHSVSHQGQOVEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038293
CCOC[C@H]1CN(Cc2ccccc2F)Cc2cncn2C1	PC-id_97476173,ZINC22_96208046	303.374	XDYONTSKFACOAY-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038294
CCOC[C@@H]1CN(Cc2ccccc2F)Cc2cncn2C1	ZINC22_96208047,PC-id_97476174	303.374	XDYONTSKFACOAY-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038295
CCOC[C@H]1CN(Cc2ccc(F)cc2)Cc2ccnn2C1	PC-id_97381868,ZINC22_96059215	303.374	PEHSVSHQGQOVEW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038296
CCOC[C@@H]1CN(Cc2ccc(F)cc2)Cc2ccnn2C1	PC-id_97381869,ZINC22_96059216	303.374	PEHSVSHQGQOVEW-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038297
Fc1ccc(c(c1)C)C(CN1CCCc2c(C1)cnn2C)O	EMOLS-id_320394582,MCULE-9679398946,PC-id_139013619	303.374	ODIJZNRMGWGFLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038298
Fc1ccc(cc1)C(CN1CCCc2c(C1)cnn2C)(O)C	EMOLS-id_318755322	303.374	GZCWSCRLOFOOLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038299
Cc1ccc(cc1)S(=O)(=O)N1CC=C(c2c(C1)cco2)C	PC-id_102231966	303.376	YBUORFRVLXRJJB-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-038300
COC(=O)C1CCCCn2c1ccc2C(=O)c1cccs1	SCHEMBL11203393,PC-id_20484238	303.376	VWBQALJBOZXTLY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-038301
Oc1ccccc1OCC(=O)N1CCCCc2c1ccs2	EMOLS-id_318230628	303.376	SZRFZRGLNHJCQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-038302
O=C(COC(=O)c1cc2c(s1)CCCCC2)c1ccc[nH]1	PC-id_2552198,MCULE-2801195718,ZINC22_3432614,EMOLS-id_3312133,CoCoCo_2861354	303.376	AVCJGKRDVKYJQL-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-038304
O=C(N1CCCc2c(C1)ccs2)COc1ccccc1O	EMOLS-id_318145419	303.376	HDYVXYWSZXAZBH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-038305
OC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(s1)C	PC-id_20484162,SCHEMBL11193915	303.376	IBVKGCQJIMWNSH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-038306
OC(=O)C1CCCCn2c1cc(c2C(=O)c1cccs1)C	SCHEMBL11204927,PC-id_20483730	303.376	NUIPZARVEQCKIO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-038307
OC(=O)C1CCCCn2c1cc(c2C(=O)c1cscc1)C	PC-id_20483822,SCHEMBL11203723	303.376	QEQSHJLJWVJRQV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-038308
OC(=O)C1CCCCn2c1ccc2C(=O)c1sccc1C	PC-id_20484196,SCHEMBL11200069	303.376	BWKNAMOGWBNHRQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-038309
OC(=O)C1CCCCn2c1ccc2C(=O)c1scc(c1)C	SCHEMBL11199044,PC-id_20484158	303.376	QSSSMBQQHRLKEQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-038310
OC(=O)Oc1cc2c(s1)CCN(CC2)Cc1ccccc1	PC-id_70555051,SCHEMBL11292630	303.376	FCLYCNRAUVLWFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-038311
s1c2CCCCCc2cc1C(=O)c1cn(c(c1)C(=O)O)C	PC-id_43463476	303.376	MENOOQZVNYLRLU-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-038312
CCC(c1nnc2n1CCCCC2)NCc1ncccc1F	EMOLS-id_319143618	303.378	XAIRMGBKCHSZHQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038313
Nc1c(CNCCc2nnc3n2CCCCC3)cccc1F	EMOLS-id_318314139	303.378	ULPYPPLZRVQGIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038314
S1CCOCCOCc2[nH]nc(n2)COCCOCC1	PC-id_13905969	303.378	YBPBOCSHPPANCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038315
Sc1cc2C(=Cc3c4-c(cc3)ccccc4)C(=O)Nc2cc1	PC-id_77946157	303.378	CLOWZZXEGXYPEZ-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-038316
Sc1cc2/C(=C/c3c4-c(cc3)ccccc4)/C(=O)Nc2cc1	SCHEMBL13359321,PC-id_70888244	303.378	CLOWZZXEGXYPEZ-YVLHZVERSA-N	00000010100000100110000000001010000000000000000000000000	31-01-038317
S(=O)(=O)(NCC1n2c(noc2=O)CCCC1)CCCC	PC-id_22901429	303.378	YPXZWRZQJULKBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038318
S(=O)(=O)(N(CC1n2c(noc2=O)CCCC1)C)CCC	PC-id_22901456	303.378	XJBABAXFZDFGSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038319
S(=O)(=O)(NCCCC)CC1n2c(noc2=O)CCCC1	PC-id_22901438	303.378	KBXUQXMUKHEHKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038320
S(=O)(=O)(NCC(C)C)CC1n2c(noc2=O)CCCC1	PC-id_22901442	303.378	VZKAKWBEHCOXIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038321
S(=O)(=O)(N(C(C)C)C)CC1n2c(noc2=O)CCCC1	PC-id_22901445	303.378	WESIIGFVBKDAAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038322
S(=O)(=O)(N(CCC)C)CC1n2c(noc2=O)CCCC1	PC-id_22901448	303.378	XHCKIVMSUZSUFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038323
c12CNC(=O)CC(COCc3ccccc3)c1sc(N)n2	PC-id_50972497,EMOLS-id_32414202,MCULE-7400094566	303.379	PCBNDDOEHPRLNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038324
c1cc2c(cc1CSc1nnc3n1CCCCC3)OCO2	CoCoCo_3081975,ZINC22_14126004,MCULE-4725941692,EMOLS-id_43775508,PC-id_17449144	303.379	TTWBSBWYOOCRKE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-038325
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)C1CC2CC1C=C2	PC-id_90625493	303.379	IZJRESMQDSSYKB-UHFFFAOYSA-N	00000011100000000101000000000110000000000000000000000000	31-01-038326
Cc1ccc(c(=O)[nH]1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110280457	303.379	YZMLLTKPDSZHMX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038327
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc(=O)n1C	EMOLS-id_319118341	303.379	BKSVKAWUMNZSPD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038328
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(=O)n(c1)C	EMOLS-id_319066027	303.379	CBWIXYXJADGVBV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038329
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccn(c(=O)c1)C	EMOLS-id_320181963,MCULE-6427861401	303.379	IKEMPICWRSMPBD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038330
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc(o1)C1CC1	EMOLS-id_320152129,MCULE-9263475353	303.379	OYCBBKRRRMPMKW-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-038331
Cc1nc2c(s1)N(CCCC2)C(=O)c1coc(n1)C1CC1	MCULE-9477757091,EMOLS-id_320266954	303.379	VPDPSUOIGXCPEN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-038332
Cc1nc2c(s1)N(CCCC2)C(=O)c1ncoc1C1CC1	EMOLS-id_320071618,MCULE-1532112356	303.379	FCTSMPZRPDDXEB-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-038333
Cc1nc2c(s1)N(CCCC2)C(=O)c1ocnc1C1CC1	EMOLS-id_319010758	303.379	METBNKPWDZJNES-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-038334
Cc1nc2c(s1)N(CCCC2)C(=O)c1onc(c1)C1CC1	EMOLS-id_318919495	303.379	OREMANIJICMNDV-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-038335
Cc1nc(O)cc(c1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110855964	303.379	BFYOKFFBFMJYGO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038336
Cc1[nH]cc(c(=O)c1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111273572	303.379	NYJMTUVBXFMKPT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038337
Cc1sc2c(n1)CCCCN2C(=O)c1ccc([nH]c1=O)C	EMOLS-id_319849621,MCULE-1536817747	303.379	NKDQTTGWQGSUCN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038338
CC(=O)c1c[nH]c(C(=O)Nc2nc3c(s2)CCCCC3)c1	EMOLS-id_16710819,CoCoCo_4546234,PC-id_17511846,ZINC22_12829209,MCULE-7871411554	303.379	OFWBJDLVHIFNCY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-038339
Cn1cccc(c1=O)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110690150	303.379	PPJMYWSHUMALTE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038340
COc1ccc(cn1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319722874	303.379	HHUDNLSFRAJXHP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038341
COc1cccc(NC(=O)c2nc3CCNCCc3s2)c1	ZINC22_306137911,MCULE-9066799745,EMOLS-id_50369401	303.379	RJXALUAWCQAIKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038342
COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cn1	CoCoCo_4546247,MCULE-5796707905,PC-id_17488712,EMOLS-id_15277492,ZINC22_12829271	303.379	WLXWDIAHBPUKRC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038343
COc1ccc(NC(=O)c2nc3CCNCCc3s2)cc1	ZINC22_106241877,EMOLS-id_50370122	303.379	NVTLCSLZCUAXTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038344
COC1CN(Cc2ccnn2C1)C(=O)/C=C/c1cccs1	EMOLS-id_50012002	303.379	UCXNKOOQEPPMNB-SNAWJCMRSA-N	00000000100100000101000000000010000000000000000000000000	31-01-038345
COc1nccc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320193015,MCULE-1398539720	303.379	BOEPJLMUSHAMDQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038346
COc1ncccc1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_30639250,PC-id_47022539,ZINC22_48231679,MCULE-8342815396	303.379	DOBBEUDHTKIDAR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038347
CO[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2ccnn2C1	ZINC22_306139866	303.379	UCXNKOOQEPPMNB-IHVVCDCBSA-N	00000000100100000101000000000010000000000000000000000000	31-01-038348
CO[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2ccnn2C1	ZINC22_306139867	303.379	UCXNKOOQEPPMNB-MUBLQREKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-038349
Nc1nc2c(s1)[C@H](COCc1ccccc1)CC(=O)NC2	ZINC22_65451840	303.379	PCBNDDOEHPRLNA-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-038350
Nc1nc2c(s1)[C@@H](COCc1ccccc1)CC(=O)NC2	ZINC22_65451844	303.379	PCBNDDOEHPRLNA-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038351
O=c1cccc([nH]1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111319739	303.379	IJXGXTKJDGWKBT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038352
Oc1ccc(nc1)CC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_320116573,MCULE-2303889512	303.379	RYKZRAWSFRTNJC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038353
Oc1cncc(c1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320262303,MCULE-8886718491	303.379	UYLGLYZSLLRRFO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038354
O=c1[nH]cc(c(c1)C)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111308047	303.379	JYSUAVWVJBOQNH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038355
O=c1[nH]ccc(c1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111357942	303.379	WUOPJTVCIDWPEQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038356
O=C(c1cc2c(s1)CCCCC2)Nc1ccn(c(=O)n1)C	EMOLS-id_319159040	303.379	RBBJBUFBPJMBMI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-038357
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1ccc[nH]1	PC-id_8138186,EMOLS-id_3697079,CoCoCo_4094181,MCULE-5592338841	303.379	LWELRROBJUYCLZ-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-038358
O=C(c1cccc(=O)n1C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110388578	303.379	ADFGQHMSSMVHTN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038359
O=C(c1ccc(s1)C(=O)C)N1CCCc2c(C1)cnn2C	EMOLS-id_112009706	303.379	XLNMSKYATUYBRF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-038360
O=C(c1ccn(c(=O)c1)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110529209	303.379	WOBYIFZWAHEZCZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038361
O=C(c1noc2c1CCCCC2)Nc1scnc1C1CC1	EMOLS-id_101034136	303.379	VBUBEGLZOGGLHH-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-038362
O=C(c1ocnc1C1CC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_99295520	303.379	INXOSYIZQZGTTB-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-038363
O=C(c1scc(c1)C(=O)C)N1CCCc2c(C1)cnn2C	EMOLS-id_112009727	303.379	GFAOKSRCOARFMP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-038364
O=C(Cn1ccccc1=O)Nc1nc2c(s1)CCCCC2	MCULE-3292535428,ZINC22_40034663,CoCoCo_4546187,PC-id_45864708,EMOLS-id_44038038	303.379	BHSGAGXWIANJBL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038365
O=C(N1CCCc2c(C1)cco2)c1cnc(s1)NC1CC1	EMOLS-id_316567630	303.379	NVUXMUUHNGOUKM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-038366
O=C(N1CCCc2c(C1)cco2)c1csc(n1)NC1CC1	EMOLS-id_318703963	303.379	OHJMZVRKEADRHU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-038367
O=C(N1CCCc2c(C1)cco2)Nc1scnc1C1CC1	EMOLS-id_99357841	303.379	RDDOENIUFDOMKY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-038368
O=C(N1CCCc2c(C1)ccs2)Nc1ccn(c(=O)c1)C	EMOLS-id_316730293	303.379	NNOMTZOKNPHICA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-038369
O=C(N1CCCCc2c1sc(n2)C)Cn1ccccc1=O	EMOLS-id_318782433	303.379	NWOFNQSYRHTSOF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038370
O=C(N1CCCCc2c1sc(n2)C)COc1ccccn1	EMOLS-id_318941346	303.379	DYCWAYVSWOEVKQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038371
O=C(N1CCCCc2c1sc(n2)C)COc1cccnc1	MCULE-1911804674,EMOLS-id_320079287	303.379	LFSNFKBTZOCMNP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038372
OC(=O)c1cccc(c1Sc1nnc2n1CCCCC2)C	PC-id_107112643	303.379	LUGYFDUYJUYKST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038373
s1c2c(CCCCC2)c(c1NC(=O)C1CNC(=O)C1)C#N	PC-id_78982456	303.379	FZCJBCUMIIIDHZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-038374
s1c2CCCCCCc2nc1NC(=O)C1C=CC=NC1=O	PC-id_76294576	303.379	USCCJINKLVSHHT-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-038375
s1c2CCCCCCc2nc1NC(=O)c1c(=O)[nH]ccc1	PC-id_56021983	303.379	HMUJREPNRJOGAH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038376
S(c1n2CCCCCc2nn1)c1c(cc(cc1)C)C(=O)O	PC-id_62510300	303.379	PMZHFJKYPFHUGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038377
S(c1n2CCCCCc2nn1)c1c(ccc(c1)C)C(=O)O	PC-id_62703123	303.379	PFBWJAYUWFRIEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038378
S(c1n2CCCCCc2nn1)c1c(cc(cc1)C(=O)O)C	PC-id_62702959	303.379	VZGAYESCTNCAMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038379
S(c1n2CCCCCc2nn1)c1cc(c(cc1)C(=O)O)C	PC-id_81285227	303.379	KDOCPNVZZRJUTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038380
S(c1n2CCCCCc2nn1)Cc1cc(ccc1)C(=O)O	PC-id_29556729	303.379	FXZFXUUIZKKFSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038381
S(c1n2CCCCCc2nn1)Cc1ccc(cc1)C(=O)O	PC-id_29779615	303.379	DAOUJDSOPKSSNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038382
S(c1n2CCCCCc2nn1)C(c1ccccc1)C(=O)O	PC-id_43079050	303.379	ZZLSXDYEFVMWOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038383
S(c1n2CCCCCc2nn1)Cc1c(cccc1)C(=O)O	PC-id_43415521	303.379	ISNKDTYEZWXYPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038384
S(c1n2CCCCCc2nn1)CC(=O)c1ccc(O)cc1	PC-id_29388007	303.379	PENZBMBAJNDWBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038385
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1snnc1C1CC1	EMOLS-id_318783946	303.383	FBROVXGHJFNIDL-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-038386
C=CCn1nnc(c1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-5452530897,EMOLS-id_319941755	303.383	KASNQDIKLKBBTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038387
CSc1ncccc1C(=O)N1CCc2nnc(C)n2CC1	EMOLS-id_232700090,MCULE-1629093584,CoCoCo_1116782,PC-id_42210747,ZINC22_11839191	303.383	OCCFVGKTIKNMHT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038388
NC(=O)c1cccc(c1N)Sc1nnc2n1CCCCC2	PC-id_115547454	303.383	BEHWORWDUPNTIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038389
NC(=O)c1cccc(c1Sc1nnc2n1CCCCC2)N	PC-id_115935910	303.383	PQNJHSZSZMYTLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038390
NNc1cc(OCc2nc3c(s2)CCC=CC3)nc(n1)C	PC-id_144369078	303.383	OVWRWAHYVFBSQU-UHFFFAOYSA-N	00000000100000100111000000000010000000000000000000000000	31-01-038391
O=C(c1cnc2n1CCCCC2)Nc1nnc(s1)C1CC1	EMOLS-id_318582849	303.383	ZGVOVZXDVKQTFN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-038392
O=C(c1cnc2n1CCCCC2)Nc1snc(n1)C1CC1	EMOLS-id_318542239	303.383	PJBFADWKOLBDTR-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-038393
O=C(C1NCc2c1c[nH]n2)Nc1nc2c(s1)CCCCC2	EMOLS-id_319269706	303.383	WUPHXQUROSAWIK-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-038394
O=C(c1nccnc1N)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644594	303.383	IKABAAGCPBHCNF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-038395
O=C(c1sc2c(c1)CCC2)NC1CCn2c(CC1)nnn2	EMOLS-id_102168178	303.383	CYAWWAMBFZGFRP-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-038396
O=C(CC1(c2nn[nH]n2)CC1)N1CCCCc2sccc12	ZINC22_2325807181	303.383	GPIXPOXWMJKONS-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-038397
O=C(N1CCn2c1ncc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_318997240	303.383	IUABOHWBNXRNDE-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-038398
S(c1n2CCCCCc2nn1)c1ccc(cc1)/C(=N/O)/N	PC-id_43094260	303.383	JQAPSVYSMVWNAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038399
S(c1n2CCCCCc2nn1)c1c(cccc1)/C(=N/O)/N	PC-id_43108867	303.383	CSUTXTXQXZBUDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038400
S(c1n2CCCCCc2nn1)c1c(ccc(N)c1)C(=O)N	PC-id_64049556	303.383	JTDRQVRIMMYYMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038401
S(c1n2CCCCCc2nn1)c1c(cc(N)cc1)C(=O)N	PC-id_61305398	303.383	QAENPJPALYESIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038402
S(c1n2CCCCCc2nn1)c1cc(c(N)cc1)C(=O)N	PC-id_61305585	303.383	ICVVURCWCBEGOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038403
S(c1n2CCCCCc2nn1)c1c(N)cc(cc1)C(=O)N	PC-id_43448612	303.383	GXEARKLZSGFYSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038404
S(c1n2CCCCCc2nn1)c1c(N)ccc(c1)C(=O)N	PC-id_63356507	303.383	MBCUNGJAWFRDKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038405
Cc1nc(nc(c1)C(=N)N)Sc1nnc2n1CCCCC2	PC-id_107551754	303.386	QZYMZASMQIKNDC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-038406
c1(C(=O)NCc2ccc(cc2)F)csc2CCCCCc12	PC-id_20881857,MCULE-4174743627,EMOLS-id_16062817	303.394	ZRTCOPYNPZYTJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-038407
O=C(NCc1ccccc1F)c1cc2c(s1)CCCCC2	ZINC22_6943251,PC-id_4826315,CoCoCo_3320440,MCULE-2570932537,EMOLS-id_3647984	303.394	VTQPZSZHWNSYKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-038408
s1c2CCCCCc2cc1C(=O)Nc1c(ccc(F)c1)C	PC-id_9208497	303.394	RANYJYJSCJUNKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-038409
s1c2CCCCCc2cc1C(=O)Nc1c(cc(F)cc1)C	PC-id_7924556	303.394	OKNQQEKSDGXDRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-038410
s1c2CCCCCc2cc1C(=O)NCc1ccc(F)cc1	PC-id_9270411	303.394	NGORANFIMYZSHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-038411
s1c2CCCCCCc2cc1C(=O)Nc1c(F)cccc1	PC-id_34857120	303.394	NFUPVJZBEAQRIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-038412
Fc1cccc(c1)/C=C/CN1CCc2c(CC1)nc(s2)N	PC-id_19985888,SCHEMBL7286878	303.398	ZHGZVNAXTCLXIJ-DUXPYHPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038413
Fc1ccc(cc1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7291842,PC-id_19985736	303.398	YKKKEYJYGGZDRI-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038414
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1F	SCHEMBL7294046,PC-id_19985914	303.398	GPXQPJOFJQQYHM-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038415
O(c1ccc(/N=C/c2c3-c(c(cc(cc3C)C)C)cc2)cc1)C	PC-id_10828293	303.398	IFTRWKABTIMOHD-LPYMAVHISA-N	00000010100000110110000000000010000000000000000000000000	31-01-038416
O[C@@H]1COC[C@H]1S(=O)(=O)N1CCCc2c(C1)ccs2	EMOLS-id_320151046,MCULE-2361243414	303.398	HDTGGDVUCYQYPC-ZYHUDNBSSA-N	00000010100000000100000000000010000000000000000000000000	31-01-038417
s1c2CCN(CCc2nc1N)CC=Cc1ccc(F)cc1	PC-id_54512929	303.398	YKKKEYJYGGZDRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038418
s1c2CCN(CCc2nc1N)CC=Cc1cc(F)ccc1	PC-id_54547081	303.398	ZHGZVNAXTCLXIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038419
s1c2CCN(CCc2nc1N)CC=Cc1c(F)cccc1	PC-id_53851148	303.398	GPXQPJOFJQQYHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038420
c1(C(O)C2CC2)cc2n(CCCN(C(=O)C3CCCC3)C2)n1	PC-id_90652272,MCULE-8744996953,EMOLS-id_50544055	303.399	PTLFEJOSESPYOK-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-038421
CC1=Cc2c(C=CC1)[nH]cc2C(CNC(=O)OC(C)(C)C)N	SCHEMBL15494289,PC-id_89985566	303.399	MPQUBKOQPYBBHC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-038422
Cc1ccc(CN2CCCn3cnc(COC(C)C)c3C2)o1	EMOLS-id_46148385,PC-id_97381700,ZINC22_96059047	303.399	ZMFULEXZUISHOZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-038423
CC1CC(CN1C1CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100098228	303.399	XTPOIJBVNCGMHH-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-038424
CC1CN(CC1NC(=O)c1noc2c1CCCCC2)C1CC1	EMOLS-id_100098216	303.399	HYABRLGKUYSDKW-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-038425
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1C[C@H]1C1CCOCC1	MCULE-7318359716,EMOLS-id_320305195	303.399	HQHPFQHNJGEKSX-YUIIUQSRSA-N	00100000100010000101100000000010000000000000000000000000	31-01-038426
C/C=CC(=C)c1nc2c([nH]1)CCN(CC2)C(=O)OC(C)(C)C	PC-id_144872690	303.399	YKAQMQIVWKNEKX-SREVYHEPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038427
CCO[C@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn2C1	ZINC22_253380534	303.399	AXJOMWMKYXNTMG-INIZCTEOSA-N	00000000100011000101000000000010000000000000000000000000	31-01-038428
CCO[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn2C1	ZINC22_253380535	303.399	AXJOMWMKYXNTMG-MRXNPFEDSA-N	00000000100011000101000000000010000000000000000000000000	31-01-038429
CN1C2CCC1CC(C2)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101561067	303.399	DIHSGJNXCFVLEH-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-038430
CN1CCC(=CC1)C(NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_111433906	303.399	KPNHMOOIWXBRAV-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-038431
CNC1C(=O)N(CCc2c1ocn2)CC1CC2CC1CCC2	PC-id_23554825,SCHEMBL14171208	303.399	GBEMYXKONKZGIS-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-038432
CNC1C(=O)N(CCc2c1ocn2)CC1CC2CCC(C1)C2	PC-id_23554797,SCHEMBL14171212	303.399	ZNRYTMWZIDQUDZ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-038433
COC1C2CCCC2C1NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_318979728	303.399	DSXXDKHZAQMZNX-UHFFFAOYSA-N	00001010100000000101001000000010000000000000000000000000	31-01-038434
COCC1CCn2nccc2CN1C(=O)CC1=CCCCC1	EMOLS-id_313821220	303.399	UMVLZRWWBSPGSO-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-038435
COC[C@@H]1CCn2nccc2CN1C(=O)CC1=CCCCC1	ZINC22_585098132	303.399	UMVLZRWWBSPGSO-INIZCTEOSA-N	00000000100011000101000000000010000000000000000000000000	31-01-038436
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CCOC[C@@H]1CN(Cc2cnn(CC)c2)Cc2nccn2C1	ZINC22_2055713249	303.403	MXDLOIUZCVAXTM-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038470
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C1CCc2nnc(CNC3CCN(CC4CC4)CC3)n2CC1	EMOLS-id_49113672,MCULE-6724144941,ZINC22_95419383,PC-id_84587882	303.446	SVJIDGGFMBSFJM-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-038720
C1CCn2c(CC1)nnc2CN1CCCCC1C1CCCN1	EMOLS-id_318144670,MCULE-8878846966	303.446	QXSQQNDPPNIWRN-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-038721
C1CCn2c(CC1)nnc2CN1CCC(CC1)C1CCCN1	MCULE-5418004372,EMOLS-id_318033983	303.446	BUCALVNVKQZCFY-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-038722
C1CCn2c(CC1)nnc2CN1CCCC(C1)C1CCNC1	EMOLS-id_318054980,MCULE-3783819886	303.446	NNSMKAURNOADGJ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-038723
C1CCn2c(CC1)nnc2CN1CCC(CC1)C1CCNC1	MCULE-8807681959,EMOLS-id_318204823	303.446	SMWRINZNBBFHKI-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-038724
C[C@@H]1C[C@@H](CN1C1CC1)NCCc1nnc2n1CCCCC2	PC-id_97223001	303.446	CPOLRYPGLKMQGW-KGLIPLIRSA-N	00100010100000000101100000000010000000000000000000000000	31-01-038725
C[C@H]1C[C@@H](CN1C1CC1)NCCc1nnc2n1CCCCC2	PC-id_97223002	303.446	CPOLRYPGLKMQGW-KBPBESRZSA-N	00100010100000000101100000000010000000000000000000000000	31-01-038726
C[C@@H]1C[C@H](CN1C1CC1)NCCc1nnc2n1CCCCC2	PC-id_97223003	303.446	CPOLRYPGLKMQGW-ZIAGYGMSSA-N	00100010100000000101100000000010000000000000000000000000	31-01-038727
C[C@H]1C[C@H](CN1C1CC1)NCCc1nnc2n1CCCCC2	PC-id_97223004	303.446	CPOLRYPGLKMQGW-UONOGXRCSA-N	00100010100000000101100000000010000000000000000000000000	31-01-038728
CN1CCN(CC1)CC1CN(CC2CC2)Cc2n(C1)ccn2	PC-id_118747223,CHEMBL3553114	303.446	XTRIEYCFLCCYAP-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-038729
N1(C2CC2)C(CC(NCCc2n3CCCCCc3nn2)C1)C	PC-id_75425667	303.446	CPOLRYPGLKMQGW-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-038730
s1c2c(CCCCC2)c(c1N=CN1CC[NH+](CC1)C)C#N	PC-id_1984711	303.446	FCMGAQVDVZZVMS-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-038731
c1(C(=O)NCCC2=CCCCC2)csc2CCCCCc12	CoCoCo_2171567,EMOLS-id_16062833,PC-id_20881864,MCULE-1708434875	303.462	OBNABHDUYIUPGS-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-038732
CCCNC(c1cc2c(s1)CCCCC2)Cc1ccco1	PC-id_105029254	303.462	TWNKRLKLAHRYJH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-038733
CCCNC(c1cc2c(s1)CCCCC2)Cc1cocc1	PC-id_105029834	303.462	OZTVWEPBHRCZLG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-038734
s1c2c(CCCCC2)cc1C(NCC)c1c(oc(c1)C)C	PC-id_63502950	303.462	CJJIRMWJOVAMLL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-038735
s1c2c(CCCCC2)cc1C(NCC)c1oc(cc1)CC	PC-id_63506529	303.462	OWMPLRQFTRDXQN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-038736
s1c2c(CCCCC2)cc1C(NCCC)c1oc(cc1)C	PC-id_63501941	303.462	AWOCQTGNAUEBFW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-038737
s1c(C(=O)N(C2CC2)CC2CC2)cc2c1CCCCCC2	PC-id_56487026	303.462	GWQIWTRYNDGSBP-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-038738
c1(C#N)c2CCCCCc2sc1N=CN(CCC)CCC	PC-id_5105805,ChEMBL-DNDi_CHEMBL1351383,MCULE-2291701955	303.465	LOZVQUBWZGODMC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-038739
CCc1nn(c(c1)CC(c1cc2c(s1)CCCCC2)N)C	PC-id_104999305	303.465	QUCDNULPQGTVFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038740
CCC(/C=C\n1c(=NC)sc2c1C=CC(C=N2)(C)CC)C	PC-id_144812678	303.465	LBNCDOHTUJVPIF-QKWWGUGGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-038741
CCCn1ccnc1CC(c1cc2c(s1)CCCCC2)N	PC-id_105012575	303.465	NXCVQWXBUFQQSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038742
CCCNC(c1ccn(n1)C)c1cc2c(s1)CCCCC2	PC-id_103135620	303.465	QUXZEZXYPLPBLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038743
CCCNC(c1ccnn1C)c1cc2c(s1)CCCCC2	PC-id_115858491	303.465	YHJVORZNTKFHTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038744
CCn1nc(cc1CC(c1cc2c(s1)CCCCC2)N)C	PC-id_105002870	303.465	YLHVDCPCKQWLPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038745
CCNC(c1cc2c(s1)CCCCC2)Cc1ccn(n1)C	PC-id_105025213	303.465	GVUSTDZBMGTYPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038746
CCNC(c1cc2c(s1)CCCCC2)Cc1cnn(c1)C	PC-id_115821158	303.465	NXMVRKFWAPJNPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038747
CCNC(c1cc2c(s1)CCCCC2)Cc1nccn1C	PC-id_105011203	303.465	XGBZGAFWYYPIPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038748
CCNC(c1ccnn1CC)c1cc2c(s1)CCCCC2	PC-id_115857799	303.465	VIKPEZRQNAPKOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038749
CNC(c1cc2c(s1)CCCCC2)CCc1ccnn1C	PC-id_103030536	303.465	PPCJJYSRRCCJOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038750
CNC(c1cc2c(s1)CCCCC2)CCc1cnn(c1)C	PC-id_103029762	303.465	IOQMQSLWKFSASR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038751
CNC(c1cc2c(s1)CCCCC2)CCc1nccn1C	PC-id_105050005	303.465	UEWPSNZGFBPHRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038752
NC(c1cc2c(s1)CCCCC2)Cc1ccn(n1)C(C)C	PC-id_104990281	303.465	UWVISJSLGRCHLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038753
s1c2c(CCCCC2)cc1C(NC)c1n(CCC)ccn1	PC-id_61318964	303.465	VRADLFPBDRSHDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038754
s1c2c(CCCCC2)cc1C(NCC)c1n(CC)ccn1	PC-id_61316925	303.465	AWECJVKFCZGTHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038755
s1c2c(CCCCC2)cc1C(NCCC)c1n(ccn1)C	PC-id_61316523	303.465	PAQAQBLEZCYDQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038756
s1cc(nc1CCC)Cn1cc2C(NC)CCCCc2c1	PC-id_83210420	303.465	HHMKBIOIHWWGTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038757
CCCn1ncc(c1)C(c1cc2c(s1)CCCCC2)NC	PC-id_115807957	303.466	XUAFYPOHZIAKEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038758
CCCn1nccc1C(c1cc2c(s1)CCCCC2)NC	PC-id_115857621	303.466	FKJSIOUJCIQYBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038759
CCCN(CCC)/C=N/c1sc2CCCCCc2c1C#N	ZINC22_100795535,STOCK2S-52335,PC-id_9608032,EMOLS-id_4446523	303.466	LOZVQUBWZGODMC-CPNJWEJPSA-N	00000000100000000100000000000010000000000000000000000000	31-01-038760
CCn1ncc(c1)CC(c1cc2c(s1)CCCCC2)NC	PC-id_115822676	303.466	QJCNPZLASUKVLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038761
CCNC(c1cc2c(s1)CCCCC2)c1cnn(c1)CC	PC-id_115815363	303.466	NXTUQNXKQRPQNE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038762
CNC(c1cc2c(s1)CCCCC2)Cc1cc(nn1C)C	PC-id_104996310	303.466	BMJQETLCAXBISO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038763
CNC(c1cc2c(s1)CCCCC2)Cc1nccn1CC	PC-id_105009390	303.466	SEFMXJPTRKARKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038764
s1c2c(CCCCC2)cc1C(NCCC)c1cn(nc1)C	PC-id_43497234	303.466	QBWNLZBPFCNZFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038765
s1c2c(CCCCC2)cc1C(NCCC)Cc1[nH]ccn1	PC-id_43497966	303.466	JYEIJRREXGXHIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038766
s1c(CCn2cc3C(NCC)CCCCc3c2)c(nc1)C	PC-id_83209659	303.466	FBBZBJPVFKANRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038767
s1c(Cn2cc3C(NCCC)CCCCc3c2)cnc1C	PC-id_83211947	303.466	CNSDVKCISHRZOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038768
s1cc(nc1CC)Cn1cc2C(NCC)CCCCc2c1	PC-id_83210791	303.466	YBZRRGBISDEZFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038769
s1cc(nc1C)Cn1cc2C(NCCC)CCCCc2c1	PC-id_83211775	303.466	PTADGAHJFLUULH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038770
s1c(nc(c1C)C)Cn1cc2C(NCC)CCCCc2c1	PC-id_83210952	303.466	OLFRLRXFCCXKNY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038771
s1c(nc(c1)C)Cn1cc2C(NCCC)CCCCc2c1	PC-id_83211948	303.466	IFHOJOKJWMDQCT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038772
s1c(nc(C(C)(C)C)c1)Cn1cc2C(N)CCCCc2c1	PC-id_83210204	303.466	QJAULFNMVICXHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038773
s1c(nc(Cn2cc3C(NC)CCCCc3c2)c1)C(C)C	PC-id_83210410	303.466	SJDBZUCJOSFQIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038774
CNC(c1cc2c(s1)CCCCC2)C1=CCCCCCC1	PC-id_106656244	303.505	DVQGJBGRDMUBDJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-038775
CNC(c1cc2c(s1)CCCCC2)CC1CC2CC1CC2	PC-id_105012825	303.505	UDIPPZDMLHNAOW-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-038776
s1c(C(NCC)C2=CCCCCC2)cc2c1CCCCC2	PC-id_63505991	303.505	GSBBXAREHOYUJI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-038777
s1c(C(NCCC)C2=CCCCC2)cc2c1CCCCC2	PC-id_63505157	303.505	FMJHFQWJJYGAMP-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-038778
CCCCCn1c2CCCCCCCCc2c(c1CCC)C	SCHEMBL16204304,PC-id_117673481	303.525	HNIFDAODODGRRQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-038779
Clc1cc(Cn2cc3CCCCC(=O)c3c2)c(OC)cc1	PC-id_83206262	303.783	XTNWVIQSTFRVLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-038781
c12cnn(C)c1CCCN(C(=O)Cc1ccc(cc1)Cl)C2	EMOLS-id_428738,AOP-19177740,ZINC22_19289641,MCULE-7191065969,PC-id_92566453	303.787	UKNWVNTWLOAFMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038782
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1ccccc1Cl)n2	PC-id_50965505,ZINC22_65407169,EMOLS-id_32401042,MCULE-8512838954	303.787	FFTPCJZWKPSGTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038783
C1CCC(C(C1)N)NC(=O)c1cc2c([nH]1)C=C=CC(=C2)Cl	PC-id_88848997	303.787	CAMOOFOBFUREFT-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-038784
C1CC[C@@H]([C@H](C1)N)NC(=O)c1nc2-c(cc(ccc2)Cl)c1	PC-id_136427816	303.787	GURLBNDQQKZLLY-JSGCOSHPSA-N	00000010100010000110000000000010000000000000000000000000	31-01-038785
c1(C(=O)Nc2ccc(c(Cl)c2)C)c2CCCCCc2[nH]n1	EMOLS-id_323254963,MCULE-6858286262	303.787	IJKPVIRYXLDUJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038786
c1(C(=O)NCc2ccc(cc2)Cl)c2CCCCCc2[nH]n1	EMOLS-id_323249593,MCULE-9454310119	303.787	PTQMXGSXZPOAKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038787
c1(C(=O)NCc2ccccc2Cl)c2CCCCCc2[nH]n1	EMOLS-id_323251640,MCULE-2598065536	303.787	ZKGYRMBURBQPSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038788
c1(C(=O)NCc2cccc(Cl)c2)c2CCCCCc2[nH]n1	EMOLS-id_323251386,MCULE-3220753564	303.787	WWLJDEXLIPBJRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038789
Cc1ccc(Cl)cc1NC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_323255987,MCULE-9800403677	303.787	AQSNNDJTTCBRKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038790
Cc1cc(Cl)ccc1NC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_334977192,MCULE-9130566106	303.787	SSCVYGCEVULEFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038791
Cc1cc(Cl)c(NC(=O)c2c3c(CCCCC3)[nH]n2)cc1	EMOLS-id_323254451,MCULE-6767830661	303.787	UCCKNYHEKWWWMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038792
Cc1c(Cl)cccc1NC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_323252918,MCULE-5202984372	303.787	YIEKSAALUGSPCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038793
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1C)Cl	EMOLS-id_319495909	303.787	FSBSMDRJWGOISC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038794
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1)C)Cl	EMOLS-id_320313890,MCULE-1664754923	303.787	YFUGTAOMAZFGHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038795
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1Cl)C	EMOLS-id_319470563	303.787	FSCWTKDDCQBURX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038796
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1Cl)C	EMOLS-id_319869989	303.787	UJXMTOWACVHZKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038797
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)cccc1Cl	EMOLS-id_318946026	303.787	KWLDZPPQQDQADF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038798
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(Cl)ccc1C	EMOLS-id_318919888	303.787	KFWPUGHRPHCBAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038799
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccccc1Cl	EMOLS-id_319752891	303.787	HFWREHLKYPWZJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038800
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1)Cl	MCULE-6425655984,EMOLS-id_320305428	303.787	JTRRKBUDIFISRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038801
ClC1=Cc2cc([nH]c2C=C=C1)C(=O)N[C@H]1CCCC[C@@H]1N	SCHEMBL11888167	303.787	CAMOOFOBFUREFT-JSGCOSHPSA-N	00000000100010000110000000000010000000000000000000000000	31-01-038802
Clc1ccccc1CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318616933	303.787	PAFRTHYABBXFDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038803
Clc1ccc(cc1)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318654570	303.787	DPJJRXQOQVPWLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038804
Clc1cccc(c1)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318764519	303.787	ZNPNMLSLTOYMBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038805
Clc1ccccc1NC(=O)Cn1cc2CCCCCc2n1	ChEMBL-DNDi_CHEMBL1362993,CHEMBL1362993,EMOLS-id_16087195,CoCoCo_2192257,MCULE-8092857008,PC-id_16194178	303.787	SDEAHHUGHMJVOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038806
Clc1ccc(cc1)NC(=O)Cn1cc2c(n1)CCCCC2	PC-id_20892430,ChEMBL-DNDi_CHEMBLC881-0961,CoCoCo_2192258	303.787	FKRYTWCEGSKWKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038807
Clc1ccc(CC(=O)N2CCCc3[nH]cnc3CC2)cc1	PC-id_20803044	303.787	QZMLBKRMGJYENE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038808
Clc1ccc(cc1)C=CCNC1CCn2c(CC1)nnn2	EMOLS-id_318618303,MCULE-3091323528	303.79	HIIAQJOONGAFRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038809
CCNC1CCCCc2c1cnn2Cc1ccc(cc1)Cl	PC-id_107384474	303.83	DPSXWARCOQXXFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038810
CCNC1CCCCc2c1cnn2Cc1cccc(c1)Cl	PC-id_107384477	303.83	LQWYWKQTCDFMII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038811
CCNC1CCCCc2c1cnn2Cc1ccccc1Cl	PC-id_107384480	303.83	SSIZOKYPESNPMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038812
Clc1ccc(cc1)C(c1nnc2n1CCCCCC2)(C)C	PC-id_10425101,SCHEMBL4534788	303.83	LQMPDFBNVKCLQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038813
Clc1c(Cn2cc3C(NCC)CCCCc3c2)ccnc1	PC-id_83210429	303.83	YWMGKPSNBVWRDB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-038814
CNC(=O)C1=C(C(=C2N1CCCC=C2)S(=O)(=O)O)Cl	PC-id_155278769	304.028	BJPWHMQZFCCXBL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-038815
CCC1N(C)B(C)N(C(C)C)B(Nc2n(C1(C)C)ncn2)C	PC-id_144358247	304.05	QMLIGTCJINLRPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038816
C1=CC2=C(C(=C(C2=CC=C1CC(=O)NO)C(=O)O)N)C(=O)O	PC-id_150645504	304.07	JAUHHMZMYJDWDL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-038817
C1CN(CCC2=C1NC=N2)C(=O)NCC3=CC=C(C=C3)Cl	PC-id_164068264	304.109	WMWAGEKNYPKBFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038818
CN(C1CCC(=O)NC1=O)C2=NNC3=C2C=CP(C=C3)C	PC-id_154688516	304.109	FXYMHBLWBJTEHO-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-038819
CC1CC=C=Cc2nn(cc12)Cc1cc(ccc1)C(F)(F)F	PC-id_163592624	304.119	GQTSPBXNSHCHHX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-038820
CC1=NC2=C(S1)N(CCCC2)CC3=CN=C4N3CCOC4	EMOLS-id_317776831,MCULE-7400834457,PC-id_154784699	304.136	HWTDKLZJZWWFFB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-038821
CC(=O)CC1=NC=C(S1)CN2CCC3=CN(N=C3CC2)C	PC-id_165024025	304.136	LPGXSNPMGJCPSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038822
CC(=O)CC1=NC=C(S1)CN2CCCC3=NN(C=C3C2)C	PC-id_165035286	304.136	HOZGIFBLJUSVDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038823
CN1CC(c2cc(nn2CC1=O)Br)(COC)O	PC-id_135342592,SCHEMBL20516887	304.14	MIYLUTJWPNIWQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038824
CCCS(=O)(=O)C1=CC(=C2C1=C(C=CC(=C2)C(C)C)C)C	PC-id_160539443	304.15	QWOZGDUVZVNNQH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-038825
O=C(C1CCn2c(CC1)nnn2)NC1CC(C1)(Cl)Cl	EMOLS-id_318794901	304.176	LHDLLELFEORSQO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-038826
Brc1c2CCN(CCc2sc1)C(=O)OCC	SCHEMBL1181696,PC-id_59302552	304.203	MVZNVBLYKZRWOF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-038827
Brc1sc2c(CCCN(C2)C(=O)OCC)c1	PC-id_58293783,SCHEMBL1425229	304.203	MZXXWJYBXIZIPP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-038828
Brc1sc2CCCN(Cc2c1)C(=O)OCC	SCHEMBL1425319,PC-id_58293758	304.203	GYEWASBQZLAEIF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-038829
Brc1sc2CCN(CCc2c1)C(=O)OCC	PC-id_57354995,SCHEMBL984992	304.203	ABWSXVCMJIERLD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-038830
OC(=O)c1cc(cc2-c(c1)cc(c2C(=O)O)C(=O)O)C(=O)O	PC-id_139786377	304.209	AOXDJRILDHRUQL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-038831
BrCCCCSc1n2CCCCCc2nn1	PC-id_43445902,EMOLS-id_37644438	304.25	JIYHNPNNINQRDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038832
BrCC(CSc1n2CCCCCc2nn1)C	EMOLS-id_40915205,PC-id_64995833	304.25	NPIPZQKEBURVTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038833
CCC(C(F)(F)F)NC(=O)c1coc2c1C(=O)NCCC2	EMOLS-id_319346773	304.265	VREQUIMIBMZDMT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-038834
O=C1NCCCc2nn(Cc3c(F)cccc3[N+](=O)[O-])cc12	EMOLS-id_276241614,MCULE-1922652789,ZINC22_585140388	304.276	CSKFAKOXYNNXDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038835
Fc1ccc(/C=C/C(=O)N2CCc3nncn3CC2)cc1F	PC-id_42323020,ZINC22_11971056,CoCoCo_1134703,EMOLS-id_44851231	304.295	NDSRCOZNVCJJES-DUXPYHPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038836
n12CCN(CCc1nnc2)C(=O)C=Cc1ccc(c(F)c1)F	MCULE-8158294925,PC-id_74792107	304.295	NDSRCOZNVCJJES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038837
Oc1c(c2-c(c1C(=O)OCC)ccc(O)cc2)C(=O)OCC	PC-id_71372345	304.295	ADXIKTAKFGCCRL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-038838
O=C(N1CCn2c(CC1)nnc2)/C=Cc1ccc(c(c1)F)F	CoCoCo_1134704	304.295	NDSRCOZNVCJJES-RQOWECAXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038839
o1c2-c(c(Cc3c4-c(oc3=O)ccccc4)c1=O)ccccc2	PC-id_85862509	304.296	CZOUCLSHOJDIPO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-038840
OC(=O)c1ccc(o1)CNC(=O)c1noc2c1CCCCC2	PC-id_120527255,EMOLS-id_72333208,MCULE-2237977372	304.298	QAOZQTOERLNNTL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-038841
C1Cc2c(CCC=C1)n(nn2)CC(=O)ON1C(=O)CCC1=O	SCHEMBL13830450,PC-id_89182460	304.301	UVYZULHXGYEAOM-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-038842
O=C(O)c1ccc(CCCn2cnc3c2NC=NCC3O)o1	PC-id_10828329,BindingDB_PC-id_10828329,CHEMBL418056	304.301	NRDPRSLMLSVWIZ-UHFFFAOYSA-N	00000000101000000111000000000010000000000000000000000000	31-01-038843
OC(=O)Cn1ccc(n1)NC(=O)c1noc2c1CCCCC2	PC-id_120524692,MCULE-5699250753,EMOLS-id_57613115	304.301	PIJVCHLHAGSYBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038844
N#Cc1c(Nc2ccc(cc2[N+](=O)[O-])C)nc2-c1ccccc2	PC-id_101582105	304.303	FSBZDJQXWRHJQD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-038845
c12C(=O)NCC(O)Cn1nc(C(=O)NCc1[nH]cc(C)n1)c2	MCULE-5343439587,EMOLS-id_82743851,PC-id_119074981	304.305	IPPLMJIEEDKRQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038846
CC1(C)Cc2n[nH]cc2CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1	EMOLS-id_316184665,MCULE-8572851730,ZINC22_1261646394	304.305	HLCHNKSZZPOVLF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038847
Cc1cnc(CNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)[nH]1	ZINC22_426740418	304.305	IPPLMJIEEDKRQE-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038848
Cc1cnc(CNC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)[nH]1	ZINC22_426740420	304.305	IPPLMJIEEDKRQE-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038849
CC(=O)NCc1nnn2c1CN(C(=O)c1ccno1)CCC2	ZINC22_96259507,PC-id_97519590,EMOLS-id_44370562	304.305	ZKJMQQFPDGFFNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038850
C1CCc2nnc(n2CC1)CN1CCC(C1)(C(F)(F)F)O	PC-id_136512902,EMOLS-id_111712539,MCULE-1528189453	304.311	LUFBWEFUZGOEDO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-038851
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)NCC(F)(F)F)C	EMOLS-id_319003926	304.311	MZJGPPLRSQZJCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038852
CN(CC1(CC1)C(F)(F)F)Cc1nnc2n1CCOCC2	MCULE-3209261406,EMOLS-id_320231055	304.311	LHAVKSHVDQBPMC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-038853
FC(F)(F)C1CN(Cc2cc3CNCCCn3n2)CCO1	MCULE-3702712622,EMOLS-id_43093483,PC-id_56890943	304.311	SLCYDJWMFYPYBR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-038854
FC(F)(F)[C@H]1CN(Cc2cc3n(n2)CCCNC3)CCO1	PC-id_95713901,ZINC22_72143214	304.311	SLCYDJWMFYPYBR-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-038855
FC(F)(F)[C@@H]1CN(Cc2cc3n(n2)CCCNC3)CCO1	ZINC22_72143212,PC-id_95713899	304.311	SLCYDJWMFYPYBR-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-038856
O[C@]1(C(F)(F)F)CCN(Cc2nnc3n2CCCCC3)C1	ZINC22_408368670	304.311	LUFBWEFUZGOEDO-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-038857
O[C@@]1(C(F)(F)F)CCN(Cc2nnc3n2CCCCC3)C1	ZINC22_408368671	304.311	LUFBWEFUZGOEDO-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-038858
O=C(C(N1CCCc2c(C1)cnn2C)C)NCC(F)(F)F	EMOLS-id_101739964	304.311	FUCGDZOGLXEZAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038859
Fc1cc2/C(=C/c3c4-c(cc3N)ccccc4)/C(=O)Nc2cc1	PC-id_59301668,SCHEMBL3284635	304.318	IXDPOQWVFJKQNT-YBEGLDIGSA-N	00000010100000100110000000001010000000000000000000000000	31-01-038860
Fc1cc2C(=Cc3c4-c(cc3N)ccccc4)C(=O)Nc2cc1	SCHEMBL3284639,PC-id_68580987	304.318	IXDPOQWVFJKQNT-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-038861
c12CCN(CCc1[nH][nH]c2=O)C(=O)Nc1cc(C)ccc1F	MCULE-1213595843,PC-id_118767540,ZINC22_299768085,EMOLS-id_68884475	304.319	IQPIHASBFJDBGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038862
Cn1nc2CCN(CCn2c1=O)C(=O)Cc1ccccc1F	PC-id_91910620,MCULE-4025752802,EMOLS-id_50585875	304.319	CERAWZPERKDDLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038863
Cn1nc2CCN(CCn2c1=O)C(=O)Cc1cccc(F)c1	MCULE-6465799283,PC-id_91922389,EMOLS-id_50585867	304.319	GSUAVYVUAGBCFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038864
COc1cc(ccc1F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319183462	304.319	HBTMAYVFHFPVEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038865
COc1ccc(cc1F)NC(=O)C1CCn2c(CC1)nnc2	MCULE-4056152926,EMOLS-id_320245144	304.319	HDOROMGZNBNWPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038866
COc1cnc(c(c1)F)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319647278	304.319	UNFIRQDABAEBEI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038867
COc1cnc(c(c1)NC(=O)c1n[nH]c2c1CCCCC2)F	EMOLS-id_279014184	304.319	KQOLTSFNOLTTAI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038868
Fc1cccc(NC(=O)Cn2nc3CCCCCn3c2=O)c1	PC-id_17502665,ZINC22_15519928,MCULE-5412388441,SPECS-id_AT-687/NB01975,CoCoCo_4406406,EMOLS-id_16685866	304.319	NSUDDTTWJJWHDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038869
Fc1ccc(NC(=O)Cn2c(=O)n3c(CCCCC3)n2)cc1	PC-id_17408121,ZINC22_9691627,SPECS-id_AT-687/NB01944,EMOLS-id_11923206,CoCoCo_4406382,MCULE-1087908381	304.319	HVXJRZFYHYABFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038870
Fc1cnccc1C(=O)N1CCCc2c(C1)c(=O)n(n2C)C	PC-id_97392158	304.319	ZHQHLSSQQVJJIM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038871
O=C1C=CC(=O)Oc2n(O1)cc(n2)Cc1scc(c1C)C	PC-id_140380185	304.321	MZYSOCSXLQRFIX-UHFFFAOYSA-N	00000000100100000111000000000010000000000000000000000000	31-01-038872
c1(C(C)NC(=O)c2ccncc2F)nnc2CCNCCn12	MCULE-6075690772,EMOLS-id_36436212,PC-id_56708225	304.323	UYMSGWXGCWUTBU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038873
CCc1ncc(cc1NC(=O)C1CCn2c(CC1)nnn2)F	EMOLS-id_319096947	304.323	WZCPAELVZKFVRF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038874
C[C@H](NC(=O)c1ccncc1F)c1nnc2n1CCNCC2	ZINC22_67756377,PC-id_95208413	304.323	UYMSGWXGCWUTBU-VIFPVBQESA-N	00000000100000101101000000000010000000000000000000000000	31-01-038875
C[C@@H](NC(=O)c1ccncc1F)c1nnc2n1CCNCC2	ZINC22_67756381,PC-id_95208414	304.323	UYMSGWXGCWUTBU-SECBINFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038876
Fc1ccc(nc1)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320260327,MCULE-7253853730	304.323	SVHLKRCXTZJCHQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038877
O=C(C1CCn2c(CC1)nnn2)NCc1nccc(c1F)C	EMOLS-id_319183204	304.323	NDDOZYKWRCTLGN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038878
O=C(Nc1cccc(c1C)F)NC1CCn2c(CC1)nnn2	EMOLS-id_101999745	304.323	GQOHFCGSWJJQQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038879
O=C(Nc1ccc(c(c1)C)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102020323	304.323	WSZUMILKCWQYAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038880
O=C(Nc1ccc(cc1C)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102027499	304.323	ISTDILPVGAKNMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038881
O=C(Nc1cccc(c1F)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102014416	304.323	XOBKIUYVVNNGMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038882
O=C(Nc1ccc(c(c1)F)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102025630	304.323	ASAATBYUBREDCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038883
O=C(Nc1ccc(cc1F)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102027283	304.323	PDXNDMREMSJFJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038884
O=C(Nc1cc(C)cc(c1)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102006900	304.323	IMIYSWKJHJCUSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038885
O=C(Nc1cc(C)ccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102027352	304.323	XAWHDQYGFWEGEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038886
O=C(Nc1cc(F)ccc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102025609	304.323	SUGVHIBSWLURQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-038887
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc[nH]c1=O	PC-id_90625262	304.324	DKMDPESBKSMKBD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038888
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(=O)[nH]cc1	PC-id_90625522	304.324	PMNORVSZGPUZNJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038889
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1c[n+](ccc1)[O-]	PC-id_90625491	304.324	QDNVNLQPXLHPCE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038890
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1c[nH]c(=O)cc1	PC-id_90625261	304.324	FZMXMUPOWCAZNV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038891
o1c2-c(cc(C(C)C)ccc2OCC)c(c1=O)C(=O)OCC	PC-id_11722561	304.338	GLOBRLZFGHNHCF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-038892
Cc1cccc(c1)C(=O)c1c(C)c(c2-c1ccccc2)C(=O)O	PC-id_139771652	304.339	JJWJJEICCNZUMF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-038893
Cc1ccc(cc1)C(=O)c1c(C)c(c2-c1ccccc2)C(=O)O	PC-id_139771659	304.339	NTOJYDYWEOTBNZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-038894
CCc1c(C(=O)c2ccccc2)c2-c(c1C(=O)O)ccccc2	PC-id_139771646	304.339	ZZIGABFRPRTCAG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-038895
COC(=O)Cc1ccc2-c(cc1)c(cc2)C(=O)c1ccccc1	PC-id_145979894	304.339	GXIHRNRGQUMYQN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-038896
O=C(c1c(c(c2-c1ccccc2)CC(=O)O)C)c1ccccc1	PC-id_9904565	304.339	WKDGUVPDHTZSIJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-038897
O(C(=O)c1c(c(c2-c1ccccc2)C(=O)c1ccccc1)C)C	PC-id_11771143	304.339	RPAXCGDMMCYESQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-038898
CCOC(=O)c1c(oc2c1ccccc2=NCCN(C)C)O	PC-id_135511897	304.341	MTVAYPZSPWKXPG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-038899
o1c2-c(ccccc2NCCN(C)C)c(c1=O)C(=O)OCC	PC-id_10470298	304.341	VMOWOKMZGHJDOE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-038900
s1c2c(CCCCC2)c(c1NC(=O)c1occc1)C(=O)[O-]	PC-id_3266464	304.341	FFVSSFPXQSZDGU-UHFFFAOYSA-M	00000000101000000100000000000010000000000000000000000000	31-01-038901
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1coc(C)n1	EMOLS-id_43089483,PC-id_56889980,MCULE-6487107389,ZINC22_72410991	304.344	FDZGJBXNCYLYPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038902
c12CN(CCCn1nc(CO)c2)Cc1cc(O)c(cn1)OC	PC-id_91786561,MCULE-8021938575,EMOLS-id_55678699	304.344	BATQZNBHUTVWRC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038903
Cc1noc(c1)CC(=O)N1CCCn2c(cc(n2)C(C)O)C1	PC-id_91767767	304.344	FZDBPJWRJRTACR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038904
Cc1noc(n1)C(NC(=O)c1noc2c1CCCCC2)(C)C	EMOLS-id_110597508	304.344	ARLQPEHRIKTUJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038905
Cc1onc(n1)C(NC(=O)c1noc2c1CCCCC2)(C)C	EMOLS-id_111829631	304.344	OLTMVNPESBYCMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038906
CCc1onc(n1)CCNC(=O)N1CCCc2c(C1)cco2	MCULE-4336126696,EMOLS-id_316846566	304.344	JYEAQYCBJXXRHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038907
CC(C)Cc1cc(no1)C(=O)N1CCc2c(CC1)[nH][nH]c2=O	PC-id_91834696	304.344	MDTBMZKBSCHVBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038908
CC(C)Oc1ncccc1OCc1nnc2n1CCOCC2	ZINC22_1776007357,MCULE-3902007126,EMOLS-id_320362607,PC-id_139020587	304.344	KURPOZQRVMRCJP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-038909
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CCOCc1nnc2n1CCN(C(=O)c1ccoc1)[C@@H](C)C2	ZINC22_585097910	304.344	OWMFVDYVHKLWDN-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-038916
CCOC[C@H]1CN(C(=O)c2cc(C)no2)Cc2cncn2C1	PC-id_97474746,ZINC22_96206584	304.344	XRDWWLJHHWPBSU-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038917
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COCc1nnc2n1CCN(C(=O)Cc1ccco1)[C@H](C)C2	ZINC22_585098184	304.344	RBPIPDUXXSNQLJ-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-038931
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CCc1onc(C)c1CNC(=O)[C@H]1CCc2nnnn2CC1	ZINC22_886679649	304.348	BJJMYSJPSAEXDN-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-038966
CCc1onc(C)c1CNC(=O)[C@@H]1CCc2nnnn2CC1	ZINC22_886679650	304.348	BJJMYSJPSAEXDN-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-038967
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s1c2CCCCCCc2cc1C(=O)NCCc1[nH]ncn1	PC-id_64531618	304.411	DTASJZJDKAVABV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039463
s1c(CC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52200406	304.411	QXWYZGVDDHTOIC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-039464
s1c(C(=O)NCCc2n3CCCCCc3nn2)ccc1C	PC-id_52181424	304.411	RDQCJCCPWYDXLA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-039465
s1c(C(=O)NCCc2n3CCCCCc3nn2)c(cc1)C	PC-id_60389629	304.411	SXCJICQYQWIHNX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-039466
S(c1n2CCCCCc2nn1)Cc1c(OC)ccc(N)c1	PC-id_43247239	304.411	VRJOXTWHXVXZFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039467
S(c1n2CCCCCc2nn1)CCOc1ccc(N)cc1	PC-id_43366327	304.411	DJPBXXQMHSKBNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039468
S(c1n2CCCCCc2nn1)CC(O)c1ccc(N)cc1	PC-id_62266463	304.411	GKHLBGOWTNBOOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039469
S(c1n2CCCCCc2nn1)CCOc1cc(N)ccc1	PC-id_43174509	304.411	FJNHGFIRNJPVPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039470
S(c1n2CCCCCc2nn1)CC(O)c1cc(N)ccc1	PC-id_62269707	304.411	RFWGCBJQVBZKDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039471
S(c1n2CCCCCc2nn1)CCOc1c(N)cccc1	PC-id_43366326	304.411	RFJAQKDNXPWCKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039472
S(c1n2CCCCCc2nn1)CC(O)c1c(N)cccc1	PC-id_62269706	304.411	QUPYVEHRHDCDFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039473
c12CN(CCc1nc(N)s2)Cc1cc2n(CCCNC2)n1	ZINC22_72167063,MCULE-2996969313,EMOLS-id_43167472,PC-id_56912686	304.414	IJNSWNPRNCLVTN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-039474
C1CC(C1)c1ncc(s1)CNC1CCn2c(CC1)nnn2	EMOLS-id_318507226,MCULE-4064761476	304.414	STVCJJJBQSFTIG-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-039475
C1CCc2c(C1)sc(n2)CNC1CCc2n(CC1)nnn2	MCULE-5876126091,EMOLS-id_318307958	304.414	MHLZYVRFQNCMOQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-039476
CC(Cc1cnc(nc1)Sc1nnc2n1CCCCC2)N	PC-id_104226248	304.414	MLBZVDRCEPYZPQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039477
CCNc1ncc(nc1)CSc1nnc2n1CCCCC2	PC-id_103059744	304.414	SEGFXMFLKQRKQK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039478
CCNCc1cnc(nc1)Sc1nnc2n1CCCCC2	PC-id_104225403	304.414	MIINWDBUNUGYJQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039479
CSc1nc(N)cc(NCc2n[nH]c3c2CCCCC3)n1	EMOLS-id_316194769,MCULE-5905534553,ZINC22_1529153864,PC-id_134704517	304.414	WCRDYEPXMWUXNV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039480
Nc1nc(CN2CCCc3c(C2)ccs3)nc(n1)N(C)C	MCULE-6770307798,EMOLS-id_318214674	304.414	XXLHGFYDXHZODH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039481
Nc1nc(nc(n1)N(C)C)CN1CCCCc2c1ccs2	EMOLS-id_318001973,MCULE-7860569767	304.414	HIFVLKRDVWPCML-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039482
S(c1n2CCCCCc2nn1)c1nc(NCCC)cnc1	PC-id_80869084	304.414	PEVQDEGPTZDDJQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039483
S(c1n2CCCCCc2nn1)c1nc(NCCC)ncc1	PC-id_80869726	304.414	LJGPPSOMUBSSSQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039484
S(c1n2CCCCCc2nn1)c1nc(NCC)nc(c1)C	PC-id_80869816	304.414	ZLMDHHHWFXHQIG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039485
S(c1n2CCCCCc2nn1)c1nc(NCC)ncc1C	PC-id_80869991	304.414	XJLOSLLTZDPAJC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039486
S(c1n2CCCCCc2nn1)c1ncnc(N)c1CCC	PC-id_80869083	304.414	OAGHNVIMVSPQKR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039487
S(c1n2CCCCCc2nn1)c1ncnc(N)c1C(C)C	PC-id_80870403	304.414	HGCKEEAURUGSHH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039488
S(c1n2CCCCCc2nn1)c1nc(nc(N)c1)CCC	PC-id_80944255	304.414	VKTANEYJWJZABU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039489
S(c1n2CCCCCc2nn1)c1nc(nc(N)c1)C(C)C	PC-id_80962983	304.414	BXSFQDFTBCTJNP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039490
S(c1n2CCCCCc2nn1)c1nc(nc(N)c1C)CC	PC-id_80990945	304.414	ICRNWCXHRCDDCO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039491
S(c1n2CCCCCc2nn1)c1nc(nc(NC)c1C)C	PC-id_80869815	304.414	IFMJWMSLXHJSQC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039492
S(c1n2CCCCCc2nn1)c1ncnc(NC)c1CC	PC-id_80870402	304.414	TVTWBNGSWFIHCL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039493
S(c1n2CCCCCc2nn1)c1nc(nc(NC)c1)CC	PC-id_80939291	304.414	UPVNFQRCBSXINK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039494
S(c1n2CCCCCc2nn1)c1ncnc(NCC)c1C	PC-id_80869082	304.414	MWMPMRSVGJHEHM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039495
S(c1n2CCCCCc2nn1)c1nc(nc(NCC)c1)C	PC-id_80869730	304.414	CTXFDKGRROFZLE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039496
S(c1n2CCCCCc2nn1)c1ncnc(NCCC)c1	PC-id_80869090	304.414	UNRVNGKSHNZSJM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039497
S(c1n2CCCCCc2nn1)c1nnc(c(c1CN)C)C	PC-id_61095836	304.414	OFTDKECSAHXIPE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039498
S(c1n2CCCCCc2nn1)Cc1nc(cc(n1)NC)C	PC-id_80663244	304.414	LLYGABMGTYBMMP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039499
Cc1cc(C)c(c(c1)F)C(c1cc2c(s1)CCCCC2)O	PC-id_106884052	304.422	XWWXENKORXBYGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039500
Fc1ccc(c(c1)CC(c1cc2c(s1)CCCCC2)O)C	PC-id_105377631	304.422	ZACPDBQONWUWST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039501
Fc1ccc(c(c1)C)CC(c1cc2c(s1)CCCCC2)O	PC-id_115838291	304.422	RCSOPKVIDUTUOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039502
Fc1cc(C)c(c(c1)C)C(c1cc2c(s1)CCCCC2)O	PC-id_106879623	304.422	CQCKJLGQGRXIAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039503
s1c2c(CCCCC2)cc1C(O)c1cc(c(F)c(c1)C)C	PC-id_65296537	304.422	TUIWOHORASMBPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039504
C/C/1=CCC[C@@H](O)[C@H](O)CC/C(=C/c2c(CC1)c(C)co2)/C	PC-id_102364573	304.424	VPEODWKWLQPSLV-YPBFMKMXSA-N	00000000100000000110000000000010000000000000000000000000	31-01-039505
CC(c1ccc(c2-c(c1)c(C)cc2[C@@H](c1ccccc1)O)C)C	PC-id_101171599	304.425	NHHMANUEBUTVPO-JOCHJYFZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-039506
CCNC(c1ccncc1F)c1cc2c(s1)CCCCC2	PC-id_105038076	304.425	YHKFDEMUGICQIQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-039507
CCNC(c1cncc(c1)F)c1cc2c(s1)CCCCC2	PC-id_115804057	304.425	MTLOJGVWNCFDDW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-039508
NNC(c1cc2c(s1)CCCCC2)Cc1ccc(cc1)F	PC-id_105283697	304.425	LKKRHYYZSCYYDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039509
NNC(c1cc2c(s1)CCCCC2)Cc1ccccc1F	PC-id_105284651	304.425	VAZGAPJOSLJGSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039510
NNC(c1cc2c(s1)CCCCC2)Cc1cccc(c1)F	PC-id_105286327	304.425	FMQGKIMWBLRZIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039511
NNC(c1ccc(cc1C)F)c1cc2c(s1)CCCCC2	PC-id_105302390	304.425	MBXYROJIQNRDNA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039512
NNC(c1ccc(c(c1)C)F)c1cc2c(s1)CCCCC2	PC-id_105302545	304.425	DNLKVBNVGMSCPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039513
NNC(c1ccc(c(c1)F)C)c1cc2c(s1)CCCCC2	PC-id_107131003	304.425	TXBKLMHOEAJRSW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039514
NNC(c1cc(C)ccc1F)c1cc2c(s1)CCCCC2	PC-id_105302705	304.425	OWZYKIYIASXROE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039515
NNC(c1cc(C)cc(c1)F)c1cc2c(s1)CCCCC2	PC-id_105325244	304.425	YNNFJDZBQBEARK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039516
NNC(c1cc(F)ccc1C)c1cc2c(s1)CCCCC2	PC-id_105302118	304.425	IOKPZCJPJBQOAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039517
Oc1ccc(cc1)Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102424984	304.425	ZAQOIELIUDBYNN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-039518
O=C/C=C/C=C/C=C/c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_57983848,SCHEMBL10001476	304.425	ZMZLGSZQAQLINA-NRIIQWGUSA-N	00000010100000000110000000000010000000000000000000000000	31-01-039519
O=CC=CC=CC=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_76695594	304.425	ZMZLGSZQAQLINA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-039520
OCC(CSCCCC1COc2c(OC1)csc2)O	PC-id_68111185,SCHEMBL10328439	304.425	QVEUFLGJGFLAJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039521
Cc1nc2c([nH]1)CCCCCCCCC[C@@H](C)OC(=O)/C=C/2	CHEMBL1809132,PC-id_56677284	304.427	JKRWNYNYPTVETN-XTZCOPOCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-039522
CCCCC(NC(=O)C1CC=Cc2c(C1)nc(o2)C)CCC	SCHEMBL20861082,PC-id_138509924	304.427	FSBRKLDROWCTMI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-039523
C[C@@H](C(=O)N(C)C1CCCCC1)N1CCCc2occc2C1	ZINC22_344294283	304.427	TWNFFVAGZLCHOY-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-039524
C[C@H](C(=O)N(C)C1CCCCC1)N1CCCc2occc2C1	ZINC22_344294284	304.427	TWNFFVAGZLCHOY-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-039525
O1C(CCCCCCCCCc2[nH]c(nc2C=CC1=O)C)C	PC-id_76393269	304.427	JKRWNYNYPTVETN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-039526
O=C(N(C1CCCCC1)C)C(N1CCCc2c(C1)cco2)C	EMOLS-id_177263529,MCULE-2600330668	304.427	TWNFFVAGZLCHOY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-039527
Nc1ccc(cc1)CCCNC(c1ccc2-c1ccccc2)C	SCHEMBL3852694,PC-id_68814043	304.429	WIBQHJFTFNWOOW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-039528
c12C(=O)NCCCc1[nH]c(CC1CCCCN1CC(C)C)n2	MCULE-2152211490,EMOLS-id_46651482,PC-id_72939831	304.43	ZDLCDBWTVOHKRC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039529
c12C(=O)NCC(C)(C)Cc1[nH]c(CCN1CCC(CC1)C)n2	EMOLS-id_48643250,ZINC22_95523578,PC-id_72915105,MCULE-3057685873	304.43	IUMAJETVTJPGDW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039530
CCC(C1CCCCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319455341	304.43	LJIRZZUBKCJOIY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039574
c12C(=O)NCC(C)(C)Cc1[nH]c(CCN(C)C1CCCC1)n2	PC-id_72926474,EMOLS-id_46644532,MCULE-7035969466,ZINC22_95386822	304.43	WTVNUVRPPXNAFK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-039531
C1CCn2c(CC1)nnc2CNC(C1CCOC1)C1CCC1	EMOLS-id_319047207	304.43	AZRQCIBWHVTXJW-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-039532
c1cn2c(n1)CN(C[C@H]1CCOC1)C[C@@H](CN1CCCC1)C2	ZINC22_107209358,PC-id_98777644	304.43	PCQNUJGXYAWLLT-HZPDHXFCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-039533
c1cn2c(n1)CN(C[C@H]1CCOC1)C[C@H](CN1CCCC1)C2	ZINC22_253603906	304.43	PCQNUJGXYAWLLT-CVEARBPZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-039534
c1cn2c(n1)CN(C[C@@H]1CCOC1)C[C@H](CN1CCCC1)C2	ZINC22_96188388	304.43	PCQNUJGXYAWLLT-HOTGVXAUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-039535
c1cn2c(n1)CN(C[C@@H]1CCOC1)C[C@@H](CN1CCCC1)C2	ZINC22_96188389,PC-id_97462827	304.43	PCQNUJGXYAWLLT-JKSUJKDBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-039536
c1(CN(C)CC2CCC(=O)N(C)C2)c2CCCCCc2[nH]n1	MCULE-4511416672,EMOLS-id_317894563	304.43	DBEWQNDOLHJCPW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039537
c1(C(=O)NCCCCN2CCCC2)c2CCCCCc2[nH]n1	MCULE-7115153386,EMOLS-id_335005860	304.43	YNTPTAGDTBYXPL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-039538
c1nc2n(c1CN1CCCC1)CCN(C[C@@H]1CCOC1)CC2	PC-id_97467014,ZINC22_96196870	304.43	MMPSOXVHPKLLMZ-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-039539
c1nc2n(c1CN1CCCC1)CCN(C[C@H]1CCOC1)CC2	ZINC22_96196871,PC-id_97467015	304.43	MMPSOXVHPKLLMZ-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-039540
CC1CCCC(C1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101722227	304.43	DZWUZRLAUNSURV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039541
CC1CCC(CC1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101722239	304.43	KYODSAXCBAWBID-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039542
CC1CCCCC1CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101725995	304.43	QHFPSJLDBTZUHV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039543
CC1CCC(C(C1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101728299	304.43	VRQMPQWOOOUEIQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039544
CC1CCCC(C1C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101731831	304.43	NUZTYKZAVHHZQJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039545
CC1CCC(CC1)NC(=O)CN1CCCc2c(C1)cnn2C	EMOLS-id_101739961	304.43	PZAXGNBCYWNWLV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039546
CC1CCCC(C1NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101718066	304.43	OGBABIFDJMUOAV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039547
CC1CCCC(CC1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101693300	304.43	LLECGLFYDXEMPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039548
CC1CC(C)CC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101729847	304.43	LBAOTGWDXAWOSK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039549
CC1CC(C)(C)CCC1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316690101	304.43	PHFBCGCGAHDDKF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039550
CC1(C)CCC[C@H](C(=O)NCc2nnc3n2CCCCC3)C1	ZINC22_179250658	304.43	RRJIPJITNJQQQW-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039551
CC1(C)CCC[C@@H](C(=O)NCc2nnc3n2CCCCC3)C1	ZINC22_179250666	304.43	RRJIPJITNJQQQW-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039552
CC1CCN(CC1)C(=O)C(N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319339886	304.43	FHVYNGMIUXWRBI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039553
CC1(C)C(NCc2nnc3n2CCCCC3)C2C1OCCC2	EMOLS-id_318184545,MCULE-4637028533	304.43	DPZYRRYFJBVCSE-UHFFFAOYSA-N	00001000100010000101001000000010000000000000000000000000	31-01-039554
C(C1CCOC1)N1CCc2ncc(CN3CCCC3)n2CC1	EMOLS-id_44328673	304.43	MMPSOXVHPKLLMZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-039555
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)NC1CCCCC1)C	EMOLS-id_319730943	304.43	XYDRUGMLAKHMPT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039556
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCN(C1)C(C)C	EMOLS-id_319975558,MCULE-5269429835	304.43	OEOJMGAVEIIXPC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039557
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCN(CC1)C(C)C	EMOLS-id_319088932	304.43	IBFUGSLNIQUQNP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039558
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(N1CCCCC1)(C)C	EMOLS-id_320231076,MCULE-5205079285	304.43	KYFSMIMREYPSGI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039559
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(N1CCCCCC1)C	MCULE-9236987916,EMOLS-id_320212159	304.43	KNNFVQQKOPSKDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039560
C(C1CN(CC2CCOC2)Cc2nccn2C1)N1CCCC1	EMOLS-id_44326229	304.43	PCQNUJGXYAWLLT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-039561
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Cc1cc(c(s1)C)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318057337,MCULE-3549232505	304.454	PFFYPEBAEJKRPS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-039724
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Cc1csc(Cc2nnc3n2CC[C@H](C(C)(C)C)CC3)n1	ZINC22_2100539303	304.454	BMFFXNLYTCYHDU-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039728
Cc1csc(Cc2nnc3n2CC[C@@H](C(C)(C)C)CC3)n1	ZINC22_2100539304	304.454	BMFFXNLYTCYHDU-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039729
CCCn1ccnc1C(c1cc2c(s1)CCCCC2)NN	PC-id_105307556	304.454	GXOJJUVCDNNGOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039730
CCCn1ncc(c1)C(c1cc2c(s1)CCCCC2)NN	PC-id_105288440	304.454	VNZZEERQPIVKSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039731
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CCCn1ncnc1CC(c1cc2c(s1)CCCCC2)N	PC-id_105003289	304.454	QNFHMEDWUCRFTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039733
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CCNC(c1cc2c(s1)CCCCC2)Cc1ncnn1C	PC-id_104997489	304.454	FOMNZZVDMVXEQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039737
CCNC(c1cc2c(s1)CCCCC2)Cc1nnn(c1)C	PC-id_107064217	304.454	PSTPFKBNALJAPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039738
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CN(C)CC1CN(Cc2ccc(C)s2)Cc2nccn2C1	EMOLS-id_46148525,PC-id_118746799	304.454	RYRYPLFPCIKFSF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-039740
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NNC(c1cc2c(s1)CCCCC2)Cc1cc(nn1C)C	PC-id_105315699	304.454	MPSBDYDTGKHBDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039743
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S(C1CC(CCC1C#N)CC)c1n2CCCCCc2nn1	PC-id_43293110	304.454	DPNQYZMPHIQERW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039753
CCc1ccc(s1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_114967785	304.47	YXCKSYOKHJWOLU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-039754
c12CN(CCC)CCCn1nc(CNC1CCCCCC1)c2	PC-id_70729757,EMOLS-id_44432285,MCULE-8169429454,ZINC22_82106729	304.473	IAZFQPLOSFISPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039755
CC1CCC(CC1C)NCCCc1nnc2n1CCCCC2	EMOLS-id_49945998,MCULE-1270643826,PC-id_86794765	304.473	NZESBEXDLJZPLV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039756
CC1CCC(C(C1)NCc1nnc2n1CCCCC2)C(C)C	EMOLS-id_318219326,MCULE-6571988913	304.473	CDVZNLVATFDHDU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039757
CC(C1CCCCC1NCc1nnc2n1CCCCC2)(C)C	MCULE-9026467730,EMOLS-id_318296871	304.473	KNAQITPGXYPRLC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039758
CC(CC1CCCCCN1Cc1nnc2n1CCCCC2)C	EMOLS-id_53760084,MCULE-7006379488,PC-id_119039047	304.473	MFLLXXFLSLZGLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039759
CC(CCC=C(C)C)CN1CCc2nnc(C(C)C)n2CC1	PC-id_45170670,MCULE-9606555103,EMOLS-id_20401102	304.473	OOTPWYZBVDWKEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039760
CC(=CCC[C@@H](C)CN1CCc2nnc(C(C)C)n2CC1)C	CoCoCo_1133268,ZINC22_11967779,CoCoCo_1133266	304.473	OOTPWYZBVDWKEW-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039761
CC(=CCC[C@H](C)CN1CCc2nnc(C(C)C)n2CC1)C	ZINC22_11967771,CoCoCo_1133265,CoCoCo_1133267	304.473	OOTPWYZBVDWKEW-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039762
CC(C)C[C@@H]1CCCCCN1Cc1nnc2n1CCCCC2	PC-id_100620679,ZINC22_225409852	304.473	MFLLXXFLSLZGLP-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039763
CC(C)C[C@H]1CCCCCN1Cc1nnc2n1CCCCC2	PC-id_100620701,ZINC22_225409901	304.473	MFLLXXFLSLZGLP-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039764
C[C@@H]1CC[C@@H](C(C1)NCc1nnc2n1CCCCC2)C(C)C	EMOLS-id_318265608	304.473	CDVZNLVATFDHDU-YGFGXBMJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039765
C[C@@H]1CC[C@@H](NCCCc2nnc3n2CCCCC3)C[C@H]1C	ZINC22_253370227	304.473	NZESBEXDLJZPLV-BZUAXINKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039766
C[C@@H]1CC[C@H](NCCCc2nnc3n2CCCCC3)C[C@H]1C	ZINC22_253370228	304.473	NZESBEXDLJZPLV-OAGGEKHMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039767
C[C@H]1C[C@@H](NCCCc2nnc3n2CCCCC3)CC[C@H]1C	PC-id_97882503,ZINC22_97379710	304.473	NZESBEXDLJZPLV-PMPSAXMXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039768
C[C@H]1C[C@H](NCCCc2nnc3n2CCCCC3)CC[C@H]1C	ZINC22_97379712,PC-id_97882505	304.473	NZESBEXDLJZPLV-OWCLPIDISA-N	00000000100010000101000000000010000000000000000000000000	31-01-039769
s1c2CCCCCc2c(c1NC=[N+](CCC)CCC)C#N	PC-id_28557964	304.473	LOZVQUBWZGODMC-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-039770
NNC(c1cc2c(s1)CCCCC2)C1=CCCCCCC1	PC-id_106650140	304.493	XBYQSWXGWBTFIO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-039771
NNC(c1cc2c(s1)CCCCC2)CC1CC2CC1CC2	PC-id_105323473	304.493	AAIHGGMTCXHAKB-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-039772
s1c2c(sc1=S)cc(SC)c(=O)c(SC)c2	PC-id_14171260	304.495	ONZWDYQDZLNTOZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-039773
S1CCCSC2=C1SC(=Cc1nnsc1)S2	PC-id_11120274	304.498	YPQAODORNIVLSO-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-039774
c1(c2CCCCCc2on1)C(=O)N(C)c1ccccc1Cl	MCULE-2711546525,PC-id_20923873,EMOLS-id_16234847,CoCoCo_2401428	304.771	LKZPKELSMJZETB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039775
c1(C(=O)Nc2ccc(cc2Cl)C)c2CCCCCc2on1	EMOLS-id_21980635,ZINC22_20357114,PC-id_17254351,TIMTEC70336,MCULE-2107139786	304.771	BCFUZPTZKFWCGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039776
c1(C(=O)Nc2cccc(Cl)c2C)c2CCCCCc2on1	ZINC22_426562,MCULE-7704346143,TIMTEC207058,EMOLS-id_15972038,PC-id_4053932	304.771	HYZCKRGFWILGME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039777
c1(C(=O)NCc2ccccc2Cl)c2CCCCCc2on1	MCULE-2006217774,EMOLS-id_21980617,PC-id_17254337,ZINC22_20495110,TIMTEC425236	304.771	RIBNFMXJSKFWGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039778
c1(C(=O)NCc2ccc(cc2)Cl)c2CCCCCc2on1	MCULE-7672873898,TIMTEC221070,ChEMBL-DNDi_CHEMBL1538744,CHEMBL1538744,EMOLS-id_6687595,ZINC22_426549,PC-id_3243268	304.771	IOJVAUUKBDNSON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039779
c1(C(=O)NCc2cccc(Cl)c2)c2CCCCCc2on1	ZINC22_32089228,STOCK6S-78381,EMOLS-id_27448006,MCULE-6203074146,PC-id_39334046	304.771	VVRYPPAIBJCTNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039780
Clc1cc(CC2CCCCc3c2[nH]nc3C(=O)O)ccc1	SCHEMBL2860565,PC-id_68420327	304.771	IRYVVFRWOLBYMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039781
Clc1cccc(c1)C[C@H]1CCCCc2c1[nH]nc2C(=O)O	PC-id_68653624,SCHEMBL3466331	304.771	IRYVVFRWOLBYMN-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039782
Clc1cccc(c1)C[C@@H]1CCCCc2c1[nH]nc2C(=O)O	SCHEMBL3469536,PC-id_68654958	304.771	IRYVVFRWOLBYMN-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-039783
Clc1ccc(cc1)Cn1nc(c2c1CCCCC2)C(=O)O	PC-id_142780138	304.771	XDKWFHNKCHDNGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039784
Clc1cccc(c1)Cn1nc(c2c1CCCCC2)C(=O)O	PC-id_68413015,SCHEMBL2843685	304.771	GJDUFBQQUQSZSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039785
O=C(Nc1ccc(cc1)Cl)CN1CCCc2c(C1)cco2	EMOLS-id_318458859	304.771	FYAWHUQZKMUOPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039786
O=C(Nc1cccc(c1)Cl)CN1CCCc2c(C1)cco2	EMOLS-id_318630518	304.771	ICZDPMVFPPSRBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039787
O=C(Nc1ccccc1Cl)CN1CCCc2c(C1)cco2	EMOLS-id_318700629	304.771	VLHIAQKPFBRBNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039788
Cc1ccc(c(c1)Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316532090	304.775	LPPRUTPSICLDAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039789
Cc1cccc(Cl)c1NC(=O)N1CCCn2cncc2C1	ZINC22_72145685,EMOLS-id_43099143,MCULE-8603735278,PC-id_56892348	304.775	YWNWFRAGFJBMNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039790
Cc1ccc(CC(=O)N2CCCn3nncc3C2)cc1Cl	MCULE-1204821556,ZINC22_829601618,EMOLS-id_316971444	304.775	OWGWMFBREAAOMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039791
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccncc1Cl	EMOLS-id_319147188	304.775	NOPLMKGSWJMQFJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-039792
Clc1ccc(c(c1)C)NC(=O)C1CCn2c(CC1)nnc2	MCULE-8262842225,EMOLS-id_257959435	304.775	HIWSSEJDGOPKIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039793
Clc1ccc(cc1)CNC(=O)N1CCCn2c(C1)cnc2	PC-id_56911549,SCHEMBL16099339	304.775	GFGUCVLJHSTJLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039794
Clc1ccc(cc1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_318556790	304.775	KQWGJIWZZFQOGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039795
Clc1cccc(c1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_318653807	304.775	ULNBGQKEEKIOMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039796
Clc1cccc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101847139	304.775	NVXCGIDEHVYJSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039797
Clc1ccc(cc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101847142	304.775	PLTVKWNBSXSNKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039798
Clc1cccnc1CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318579624	304.775	IJJBDSNYERBJBR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-039799
Clc1ccc(NC(=O)N2CCCc3[nH]cnc3CC2)cc1	PC-id_20803119	304.775	KHQNPITWYCSLIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039800
Clc1ccnc(c1)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318415811	304.775	IVDRQPFFQXNAOB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-039801
O=C(c1ccccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318748378	304.775	VYAHTVJUTCIUQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039802
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1C)Cl	EMOLS-id_320093688,MCULE-9042126876	304.775	NUQADLWYECYKLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039803
O=C(N1CCCc2c(C1)cnn2C)Cc1cnccc1Cl	EMOLS-id_112009754	304.775	OBGOIYMYRCKJCC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-039804
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1Cl	EMOLS-id_101847109	304.775	WVOFKFBPGPQJBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039805
ClCCCCn1c2c(S(=O)(=O)N(CCC2=O)C)cc1	PC-id_22714959,SCHEMBL6829838	304.793	ZWGUPVBYMXXFQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039806
ClCCCCn1cc2c(c1)S(=O)(=O)N(CCC2=O)C	PC-id_22714956,SCHEMBL6831067	304.793	DLNVTIJXDXTVKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039807
Clc1c(C(=O)N2CCC=Cc3sccc23)ccc(N)c1	PC-id_21467148,SCHEMBL6990833	304.795	UCBYFJKVGOHCIS-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-039808
Clc1cc(c(Sc2n3CCCCCc3nn2)cc1)C#N	PC-id_62492585	304.798	CNPKNMGQVZYDJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039809
Clc1c(c(Sc2n3CCCCCc3nn2)ccc1)C#N	PC-id_60703065	304.798	AARHEDDIAPHGLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039810
Clc1cc(Sc2n3CCCCCc3nn2)ccc1C#N	PC-id_62947333	304.798	HLLZUTPRZKYAMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039811
Clc1cc(Sc2n3CCCCCc3nn2)c(cc1)C#N	PC-id_63092401	304.798	YYYZXUNLSFCRBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039812
Clc1c(Sc2n3CCCCCc3nn2)ccc(c1)C#N	PC-id_63088890	304.798	FARGSDNILDNYJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039813
Clc1sc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	CoCoCo_4548816,PC-id_17459493	304.798	BXLSLYWBEFSKCJ-CSKARUKUSA-N	00000000100100000101000000000010000000000000000000000000	31-01-039814
Clc1sc(C=C(c2n3CCCCCc3nn2)C#N)cc1	EMOLS-id_26229876,PC-id_72058498,MCULE-4734298853	304.798	BXLSLYWBEFSKCJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-039815
N#C/C(=C/c1ccc(s1)Cl)/c1nnc2n1CCCCC2	CoCoCo_4548817	304.798	BXLSLYWBEFSKCJ-NTMALXAHSA-N	00000000100100000101000000000010000000000000000000000000	31-01-039816
Clc1cc(Cn2cc3C(N)CCCCc3c2)c(OC)cc1	PC-id_83210578	304.814	DHLVMANMNRFICS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039817
Clc1n(nc2c1CCCCC2)CCCOc1ccccc1	PC-id_66014294	304.814	QZXMVHXACNNAMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039818
ClCS(=O)(=O)Nc1sc2c(CCCCC2)c1C#N	PC-id_63666578,EMOLS-id_314277893	304.816	ICDVTNDZMSPOHA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-039819
Cc1ccc(c(c1)Cl)CNCc1nnc2n1CCCCC2	MCULE-3140630470,EMOLS-id_318360558	304.818	LJPIULLNXGCVES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039820
Cc1cc(C)c(c(c1)Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318031503,MCULE-4109770608	304.818	NFOVTCVUAXBQQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039821
Cc1cc(CNCc2nnc3n2CCCCC3)cc(c1)Cl	MCULE-2723493641,EMOLS-id_318076267	304.818	YDUKARAVWWXGEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039822
Cc1cc(NCc2nnc3n2CCCCC3)cc(c1Cl)C	EMOLS-id_318268259,MCULE-4505969776	304.818	SLPZHPKMGSXEPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039823
Cc1c(CNCc2nnc3n2CCCCC3)cccc1Cl	EMOLS-id_318437776,MCULE-1244157826	304.818	BSFDZNPXOYCPKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039824
CCc1ccc(cc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318132423,MCULE-7922732675	304.818	DPLBFDUXZHVCLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039825
CC(c1ccccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318179187,MCULE-3282658031	304.818	DVHFOMWGSGBHQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039826
C[C@@H](c1ccccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318279317,MCULE-4760515202	304.818	DVHFOMWGSGBHQA-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039827
C[C@H](c1ccccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318328605,MCULE-9330645610	304.818	DVHFOMWGSGBHQA-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039828
Clc1ccc(cc1)[C@H](NCc1nnc2n1CCCCC2)C	EMOLS-id_318198554,MCULE-8452454213	304.818	FEGKCGXLVLVPFI-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039829
Clc1ccc(cc1)[C@@H](NCc1nnc2n1CCCCC2)C	MCULE-3842779606,EMOLS-id_318111647	304.818	FEGKCGXLVLVPFI-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039830
Clc1ccc(cc1)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_317980885,MCULE-7836342228	304.818	FEGKCGXLVLVPFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039831
Clc1cccc(c1)C(NCc1nnc2n1CCCCC2)C	MCULE-6209316670,EMOLS-id_318291132	304.818	BLAZRAZRVUXDPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039832
Clc1cc(C)c(c(c1)C)NCc1nnc2n1CCCCC2	MCULE-7856113805,EMOLS-id_318505994	304.818	AOCKOHZZEWAFBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039833
Brc1cc(c2-c1ccccc2)[C@H](C(F)(F)F)O	PC-id_101151976	305.091	LHQNDAPUIZDNFS-LLVKDONJSA-N	00000010100000000110000000000010000000000000000000000000	31-01-039857
Clc1cc(C)c(cc1NCc1nnc2n1CCCCC2)C	MCULE-7472135667,EMOLS-id_318013076	304.818	UQZMATKLFPRWDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039834
Clc1ccc(CNC(c2n3CCCCCc3nn2)C)cc1	PC-id_43426008	304.818	BJBZJPVOWWBMNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039835
Clc1cc(CNC(c2n3CCCCCc3nn2)C)ccc1	PC-id_43426013	304.818	XQUKDJWATUKZFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039836
Clc1cc(CNCc2nnc3n2CCCCC3)ccc1C	MCULE-3277910265,EMOLS-id_318160514	304.818	INPWISSKBFIUCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039837
Clc1c(CNC(c2n3CCCCCc3nn2)C)cccc1	PC-id_43426014	304.818	RFMBMAGWBXRQGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039838
Clc1ccc(CC(=O)c2sc3CCCCCc3c2)cc1	PC-id_63527339	304.834	FIGIBFFHAUYHMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039839
Clc1cc(CC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_63526826	304.834	PFRXUEWRARTEEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039840
Clc1c(CC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_63528721	304.834	VKLBQCGJRSFRSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039841
ClC(C(=O)c1sc2CCCCCc2c1)c1ccccc1	PC-id_81236820	304.834	QQUUVWIMQDQGMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039842
O=C(c1ccc(c(c1)Cl)C)c1cc2c(s1)CCCCC2	PC-id_107561477	304.834	MFICUDUKOZSGOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039843
ClC(c1sc2c(CCCCC2)c1)c1cc(c(cc1)C)C	PC-id_63427577	304.877	NNXCYVXJPXAYFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039844
ClC(c1sc2c(CCCCC2)c1)c1c(cc(cc1)C)C	PC-id_63430435	304.877	XYGRNLWRLAQNFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039845
ClC(c1sc2c(CCCCC2)c1)c1ccc(cc1)CC	PC-id_63431329	304.877	NUCVNFYULPJZMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039846
ClC(c1sc2c(CCCCC2)c1)c1c(ccc(c1)C)C	PC-id_63433540	304.877	PEVWAILZPAVQBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039847
ClC(c1sc2c(CCCCC2)c1)Cc1cc(ccc1)C	PC-id_63543743	304.877	UZGFDQMBALEMQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039848
ClC(c1sc2c(CCCCC2)c1)Cc1c(cccc1)C	PC-id_63544056	304.877	UQTYCEBHTNNKLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039849
ClC(c1sc2c(CCCCC2)c1)Cc1ccc(cc1)C	PC-id_63544240	304.877	FENDBYOMZKWOJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039850
Brc1c(=O)c2ocnc2cc(Br)c1	PC-id_14042911	304.923	QHGAHZYJQILSFK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-039851
Nc1nc(=O)c2c(c(=O)[nH]1)n(cn2)I	PC-id_143864919	305.033	CZPKDZMZDNMYAA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-039852
CCCN1B(C)Nc2nnnn2C(C(N(B1C)C)CC)(C)C	PC-id_144358409	305.038	XGYIMPABFXJCML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039853
C[C@H]1COCC(C2=C(C[C@H](N1)C#C)SC(=C2)Cl)(F)F	PC-id_163780838	305.045	MOLMDOFTNUPHND-DTWKUNHWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039854
NC(=O)c1c2CN=NCCn2nc1I	PC-id_118085625,SCHEMBL16728794	305.076	ALGTWLMBMAUHCS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-039855
Brc1cc(c2-c1ccccc2)C(C(F)(F)F)O	PC-id_101720475	305.091	LHQNDAPUIZDNFS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-039856
CC(=O)[C@@H]1CCc2c(CN1I)[nH]cn2	PC-id_135189884,SCHEMBL20342231	305.116	SQANTKREAPOVAR-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-039859
CN1c2cn(C)nc2CCC(I)C1=O	EMOLS-id_336485630,PC-id_134607537,SCHEMBL20262426	305.116	KEAPNPVCKVSAFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039860
CN1Cc2c(I)nn(C)c2CCC1=O	EMOLS-id_330779401,MCULE-6833415418	305.116	RSXYTFVYNJYWIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039861
CN1C(=O)C(I)CCn2c1c(C)cn2	SCHEMBL18366178	305.116	YFWTWJYBFQPPDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039862
CN1C(=O)C(I)CCn2c1cc(n2)C	SCHEMBL18366165	305.116	FBSSFRSHEQYQKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039863
CN1C(=O)C(I)CCn2c1c(C)nc2	SCHEMBL18366413	305.116	NEPUKFWPSPVIBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039864
O=C1C(I)CCc2c(N1C)cnn2C	SCHEMBL19207885	305.116	IADXGMZCLVBJJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039865
O=C1C(I)CCCn2c(N1C)ccn2	SCHEMBL18366216	305.116	SITBDPZZRLFYBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039866
O=C1C(I)CCCn2c(N1C)cnc2	SCHEMBL18366227	305.116	LYGBYOATKNBEKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039867
O=C1C(I)CCn2c(N1C)ncc2C	SCHEMBL18366949	305.116	FKMGGASUFCAQAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039868
CC1=CN2CCN(CCC2=N1)CC3=CN=C(S3)NC(=O)C	PC-id_154685650	305.131	GYNGNDQQCAMCQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039869
CC1=NN2CCN(CCC2=C1)CC3=CN=C(S3)NC(=O)C	PC-id_154685842	305.131	KMPAOOCLFYLQOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039870
CC(=O)NC1=NC=C(S1)CN2CCC3=C(CC2)N(N=C3)C	PC-id_154685588	305.131	QWKFVRNFJRVSLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039871
CC(=O)NC1=NC=C(S1)CN2CCC3=CN(N=C3CC2)C	PC-id_154685617	305.131	ICUAIUOKFKPNHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039872
CC(=O)NC1=NC=C(S1)CN2CCCC3=CN(N=C3C2)C	PC-id_154685756	305.131	FWYFNQLPUKBVOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039873
CC(=O)NC1=NC=C(S1)CN2CCCC3=NN(C=C3C2)C	PC-id_154685587	305.131	XHPFNXZBAONFGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039874
O=c1[nH]sc2=CC=CC(C=c12)(C)I	PC-id_144260716	305.135	HZLGFQYXNNQGMU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-039875
Brc1sc2CCCCC(=O)Nc2c1[N+](=O)[O-]	PC-id_3763277,CHEMBL1563660	305.148	YEOVAOQAYKPKAK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-039876
IC1CCn2c(N(C1)C)c(c(n2)C)C	SCHEMBL19641643	305.159	IUZSCZIEEPKQEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039877
CC1=C(N=C(S1)C)CN[C@H](C)C2=NN=C3N2CCCCC3	EMOLS-id_317271030,MCULE-9623714840,PC-id_154763667	305.167	IHOLHOFCJBWLAC-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039878
CC(C)NC1=NC=C(S1)CN2CCC3=CN(N=C3CC2)C	PC-id_154685736	305.167	OWCCXZJYNABFPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039879
CC1=C(NC2=C1C(=O)N(CCC2)CCN3CCCC3)C(=O)O	PC-id_153829583	305.174	YWTKEAVPVHSJDP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-039880
CN1c2cc(nn2CC[C@@H](C1=O)N)CCN1CC2CC1CO2	PC-id_163565028	305.185	FULXFYNCQHDYQV-BPCQOVAHSA-N	00000010100000000101000000000110000000000000000000000000	31-01-039881
Brc1c2c(sc1)CCN(NC2)C(=O)OCC	SCHEMBL5552529,PC-id_69484735	305.191	DFMCKKLWSZJAMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039882
CCOC(=O)c1c(Br)nn2CCCCSc12	EMOLS-id_337727102	305.191	APBQHNCJBUYMPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039883
BrC(=O)c1c2-c(cc(C(C)C)ccc2C)c(c1)C	PC-id_20589317	305.21	VLCSMJBESZCXCD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-039884
Brc1ccccc1Cc1n[nH]c2c1CCCCC2	PC-id_101219136	305.213	RCKSXQIBIQTLAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039885
Brc1ccc(Cc2n[nH]c3CCCCCc23)cc1	EMOLS-id_337934104	305.213	GJECQUZOGKUPSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039886
Brc1cccc(Cc2n[nH]c3CCCCCc23)c1	EMOLS-id_337935384	305.213	HPHNXVVNSRGFHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039887
CC1(CC2=C(CN(C1)C(=O)NC3CCCCNC3)C=NN2)C	EMOLS-id_317275893,PC-id_154763813,MCULE-4435590861	305.222	DAGRTVAJPOJHRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039888
O=c1n(C(CC(=O)O)C(=O)O)c2-c(c1C(=O)O)ccccc2	PC-id_12852686,SCHEMBL11281868	305.24	YOWUGIYNQUZAHC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-039889
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCC(F)(F)F)C2	PC-id_100029473,ZINC22_218907553	305.296	BPMCGTASEDUBQG-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039890
C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCC(F)(F)F)C2	PC-id_100029476,ZINC22_218907624	305.296	BPMCGTASEDUBQG-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-039891
CC(O)c1cc2CN(CCCn2n1)C(=O)CCC(F)(F)F	PC-id_90648288,MCULE-7156337253,EMOLS-id_50529301	305.296	BPMCGTASEDUBQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039892
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCO	PC-id_19523648	305.296	MUIFEGZLZKSFDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039893
O=C1NCC(Cc2c1cn(n2)CCOCC(F)(F)F)(C)C	EMOLS-id_316614541	305.296	KRSOKSCBJCBZMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039894
OCc1nnn2CCCN(Cc12)C(=O)Cc1ccc(F)cn1	ZINC22_1565550033,EMOLS-id_313734364	305.308	NDYKRWBGEPJBDU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-039895
O=[N+]([O-])c1c(F)cccc1NCc1nnc2n1CCCCC2	EMOLS-id_49116964,PC-id_84591023,MCULE-1492488452,ZINC22_96482662	305.308	MHYDRWDHXHKMPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039896
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1coc(=O)cc1	PC-id_90625440	305.309	JYLYNBVQNFONGX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039897
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1n[nH]c(=O)cc1	PC-id_90625272	305.312	HYUQNJRJSXEMOU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-039898
O=C(c1cccc(c1)C(F)(F)C)N1CCCc2c(C1)cco2	MCULE-6245065318,EMOLS-id_320022393	305.319	XEGJVYICEGUPJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-039899
CC1(C)CNC(=O)c2cn(Cc3cccc(F)c3F)nc2C1	EMOLS-id_316990532,MCULE-2736368114,ZINC22_634559592	305.322	YEBHLENZOSGYAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039900
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1C(F)F	EMOLS-id_318861914	305.322	XATMIFUSKKTTCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039901
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)C(F)F	EMOLS-id_319213408	305.322	FFFCPBVGFOWFAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039902
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1F)F)C	EMOLS-id_319253484	305.322	CJLSHALFWOXSPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039903
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)c(cc1F)F	EMOLS-id_319293365	305.322	AYQJNUAKONGXMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039904
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(F)c(cc1F)C	MCULE-2598492273,EMOLS-id_319983193	305.322	UNAGSUIHIAUTJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039905
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1F)F	EMOLS-id_319571628	305.322	VXQGWHCTBUPMKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039906
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c(F)cccc1F	EMOLS-id_319397923	305.322	RUZAPNRJIDIDKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039907
Fc1ccc(c(c1)CNC(=O)c1cnc2n1CCCCC2)F	EMOLS-id_318577757	305.322	OGBOMRMWSOHVGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039908
Fc1c(cccc1F)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318523395	305.322	YGTLNRLDODFRMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039909
Fc1ccc(c(c1)F)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318669894	305.322	LUSHICFADNQSNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039910
Fc1ccc(c(c1)F)NC(=O)Cn1cc2c(n1)CCCCC2	PC-id_5309660,CoCoCo_2192263	305.322	QXEGYJBUVVQING-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039911
Fc1cc(CNC(=O)c2cnc3n2CCCCC3)ccc1F	EMOLS-id_318511079	305.322	JUVNYMJEUVNLMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039912
Fc1cc(CNC(=O)c2cnc3n2CCCCC3)cc(c1)F	EMOLS-id_318698705	305.322	MYIJJPHSNAPXES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039913
Fc1c(NC(=O)Cn2nc3CCCCCc3c2)cc(F)cc1	CoCoCo_2192292,PC-id_20892463	305.322	IDIMQSRULFKQTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039914
O=C(c1cccc(c1)C(F)(F)C)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318866479	305.322	FFYRSTTWDPTHMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039915
O=C(c1ccccc1C(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_320050651,MCULE-8221060553	305.322	DGEBUQQCYSOLGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039916
Fc1ccc(c(c1)F)C=CCNC1CCn2c(CC1)nnn2	EMOLS-id_318713186,MCULE-8706738250	305.326	XZJOPCYNEHGJEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039917
Fc1cc(C=CCNC2CCn3c(CC2)nnn3)ccc1F	EMOLS-id_318634833,MCULE-8646311518	305.326	JSPKRWIYGRLEBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039918
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccccc1F	PC-id_90625341	305.327	WHRPXBJRENZNMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039919
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(ccc1)F	PC-id_90625342	305.327	AHMRUPQCRGNFFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039920
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(cc1)F	PC-id_90625343	305.327	NMBPJZSKSPBVEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-039921
COc1ccc2-c(cc1)c(cc2)/C=C/c1ccc(cc1)[N+](=O)[O-]	PC-id_102507045	305.327	YBOVYPMTVHKLTP-GORDUTHDSA-N	00000010100000110110000000000010000000000000000000000000	31-01-039922
O=C(Nc1ccccc1C(=O)O)Cc1cc2-c(c1)ccccc2	PC-id_139996486	305.327	AMJPNDHPTPMNPU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-039923
c12CN(CCCn1nc(CO)c2)C(=O)c1ccc(OCC)o1	PC-id_91780584,EMOLS-id_55661617,MCULE-1127298320	305.329	UPFGDCLYSJAQOI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-039924
C[C@H]1C(=O)NCCCN1C(=O)c1coc2c1C(=O)NCCC2	MCULE-8567909508,PC-id_136588085,ZINC22_1615058534,EMOLS-id_316944338	305.329	QCBCTMWOGOKSDW-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-039925
CCOC(=O)c1n2CCCCCc2c(c1NC(=O)OC)C#N	NSC697459,PC-id_394190,CoCoCo_5764222	305.329	ZYPIMMQXRPFYAF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-039926
CN1C(=O)CCC(C1=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_102226174	305.329	DPLFARYCGPYBCZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-039927
C1C(C(c2ccccc12)NC(=O)c1nnc2-c1ccccc2)O	PC-id_90957056	305.331	RBNJFSLGONTLAH-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-039928
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c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1onc(COC)n1)n2	EMOLS-id_232795631,MCULE-5402141437,ZINC22_65393485,PC-id_50957952	305.332	ZZSDKASLTFKJRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039930
c1(c(C)non1)C(=O)N1CCCn2c(cc(n2)C(CC)O)C1	MCULE-3866905452,PC-id_91778819,EMOLS-id_55656332	305.332	BYQRVWAOQZCBEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039931
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CN1CC(=O)N(C1=O)C	EMOLS-id_319328624	305.332	VDFAJIQWVVXKQI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-039932
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CN1C(=O)CN(C1=O)C	EMOLS-id_320083048,MCULE-5890071741	305.332	NTFROGKMJPHECL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-039933
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COCc1onc(n1)C	EMOLS-id_319130529	305.332	DFPUSQDUIFIKBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039934
Cc1onc(c1CNC(=O)C1CCCCc2n1c(=O)[nH]n2)C	EMOLS-id_207869319	305.332	FLGHMHVMIXKTST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039935
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1nonc1C)O	PC-id_99975677	305.332	BYQRVWAOQZCBEX-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039936
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1nonc1C)O	PC-id_99975680	305.332	BYQRVWAOQZCBEX-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039937
CC(C)OCc1nnc2CCN(CCn12)C(=O)c1ccno1	EMOLS-id_44369938,PC-id_97519281,ZINC22_96259196	305.332	CMHUEEXBZUZCSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039938
CN(c1noc(n1)CNC(=O)c1noc2c1CCCCC2)C	EMOLS-id_99144847	305.332	BULNIDFJPJANRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-039939
COCc1ccc(C(=O)NCc2nnc3n2CCNCC3)o1	MCULE-5643028302,PC-id_118760035,EMOLS-id_68920923,ZINC22_299778673	305.332	NBDDCNIYFKUACZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-039940
n12CCC(CCc1nn(C)c2=O)NC(=O)NCc1ccco1	EMOLS-id_50586111,PC-id_91922671,MCULE-9432210460	305.332	GDYXYPJQBQLIED-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-039941
N1(CC(=O)NCc2c3CCCCCc3[nH]n2)C(=O)CNC1=O	ZINC22_216084931,EMOLS-id_49890777,MCULE-3369019231,PC-id_77092569	305.332	WWFPGWUGGWEUCI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-039942
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Cc1ccsc1CN(C)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_1506416633	305.399	FPKWGBKQSRWMRN-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-040276
Cc1ccsc1CN(C)C(=O)[C@H]1CCCCn2nnnc12	ZINC22_1506416644	305.399	FPKWGBKQSRWMRN-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-040277
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Cc1csc([C@H](C)NC(=O)c2nnc3n2CCCCC3)n1	ZINC22_584897352	305.399	MCUDCPDTIVUVBB-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-040281
Cc1csc([C@@H](C)NC(=O)c2nnc3n2CCCCC3)n1	ZINC22_584897353	305.399	MCUDCPDTIVUVBB-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040282
Cc1nc([C@@H](C)NC(=O)c2nnc3n2CCCCC3)cs1	ZINC22_584884973	305.399	PTKPXYSZPZQEAS-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040283
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Cc1cc(Cl)cc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182445	305.763	QPNKPDJIECVXIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040694
Clc1ccc(c(c1)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182433	305.763	GKZYTIKQXKVGCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040695
Clc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102181074	305.763	AYTSWXWWTHGVSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040696
Clc1ccc(nc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845882	305.763	GKSJHKFNANFYCG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040697
Clc1ncc(nc1)CNC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_278909862	305.763	YRQBWITWXGMDGS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-040698
Cn1ncc2c1CCCN(C(=O)Nc1ccc(Cl)nc1)C2	ZINC22_840928675,EMOLS-id_324043041,PC-id_146092514,MCULE-3238857812	305.763	DZNQCNGXKUNMHG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040699
CNc1ccc(c(c1)Cl)C(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319461107	305.763	YPVHNCGHYRUCRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040700
O=C(c1cccc(c1C)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102177947	305.763	IAUHTSJBMOELEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040701
O=C(c1ccc(c(c1)C)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102182487	305.763	OJLLESYIHFGUDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040702
O=C(c1ccc(c(c1)Cl)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102160366	305.763	DDKIYZACZFHXBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040703
O=C(c1cccc(c1Cl)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102181071	305.763	VBQNEYJAKRUUTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040704
ClCCCN1CC/C(=NO)/c2c(S1(=O)=O)ccn2C	SCHEMBL5852692,PC-id_22065889	305.781	CZPYECFIYSUCDB-UKTHLTGXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040705
ClCCCN1CCC(=NO)c2c(S1(=O)=O)ccn2C	SCHEMBL5852696,PC-id_73863353	305.781	CZPYECFIYSUCDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040706
Cn1ccc2c1C(CCN(S2(=O)=O)CCCCl)N=O	PC-id_91082821	305.781	RFFODWVSCNEUNB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040707
Clc1nc(Sc2n3CCCCCc3nn2)cc(c1)C#N	PC-id_83077270	305.786	OKKYUXNEQBPZQO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040708
N#Cc1ccnc(c1Cl)Sc1nnc2n1CCCCC2	PC-id_107060697	305.786	DAZPVPSEROFJOH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040709
Clc1cc(Cn2cc3C(O)CCCCc3c2)c(OC)cc1	PC-id_83210024	305.799	WYWXKNLTXZTBAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040710
Clc1cccc(c1)C(CN1CCCc2c(C1)cnn2C)O	EMOLS-id_318645749	305.802	OQPMKQGGMGLRFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040711
Clc1ccc(cc1)[C@@H](CN1CCCc2c(C1)cnn2C)O	EMOLS-id_318571352	305.802	BSIDBFSVBBTQGV-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040712
Clc1ccc(cc1)[C@H](CN1CCCc2c(C1)cnn2C)O	EMOLS-id_318739102	305.802	BSIDBFSVBBTQGV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040713
CC1CN(CC(c2ccc(cc2)Cl)O)Cc2c(C1)[nH]nc2	EMOLS-id_319359784	305.803	OAMJVSWFVHSFNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040714
Clc1c(n(nc1CC)C)Cn1cc2CCCCC(=O)c2c1	PC-id_83206669	305.803	QNGHBXLRROLDIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040715
Clc1c(n(nc1C)CC)Cn1cc2CCCCC(=O)c2c1	PC-id_83206680	305.803	PHYBNLSYYIKNSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040716
COc1ccc(cc1Cl)CN1CC(C)Cc2c(C1)cn[nH]2	MCULE-9412107616,EMOLS-id_320063521	305.803	IRNRCWNSOFFPHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040717
COc1cccc(c1Cl)CN1CC(C)Cc2c(C1)cn[nH]2	MCULE-9751135661,EMOLS-id_319904208	305.803	ZIXASUSHLBRHPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040718
CCc1cccc(c1CNC1CCn2c(CC1)nnn2)Cl	MCULE-9472659587,EMOLS-id_318316476	305.806	QQVYVKXXOKYVBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040719
CC(Cc1ccc(cc1)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_318060864,MCULE-4559113753	305.806	QLZQANCAYWGALR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040720
CC(Cc1ccccc1Cl)NC1CCn2c(CC1)nnn2	MCULE-8405309594,EMOLS-id_318702205	305.806	XTZAQYBXTPZUOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040721
Clc1cccc(c1)C(CNC1CCn2c(CC1)nnn2)C	MCULE-5966428147,EMOLS-id_318126950	305.806	XRMLZSKTQSMSBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040722
Clc1cc(C)c(c(c1)C)CNC1CCn2c(CC1)nnn2	EMOLS-id_318021125	305.806	JOWKLWADOPTFRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040723
Clc1ccc(nc1)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_317980996,MCULE-5909799495	305.806	AFDNELUYCTWVDI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040724
c1(C(=O)c2ccc(cc2)Cl)c2CCCCCc2sc1N	PC-id_11652441,CHEMBL59444,ZINC22_29570044,EMOLS-id_48841018,SCHEMBL4153860,MCULE-1604751004	305.822	YMKSODDTUCIDIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040725
c1(c(sc2c1CCCCC2)N)C(=O)c1cc(Cl)ccc1	CHEMBL339411,PC-id_10979671,SCHEMBL4144407	305.822	HJOZHLPBVBUQAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040726
c1(csc2CCCCCc12)C(=O)Nc1ccccc1Cl	EMOLS-id_16062743,CoCoCo_2171511,PC-id_20881828,MCULE-4415856834	305.822	YZAHKRQPQXFYLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040727
c1(csc2CCCCCc12)C(=O)Nc1ccc(cc1)Cl	EMOLS-id_16062745,CHEMBL1558523,ChEMBL-DNDi_CHEMBLC760-0905,CoCoCo_2171512,MCULE-3414161064,PC-id_16010562	305.822	GBVRTKHYQHKWDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040728
Clc1cc(C(=O)c2sc3CCCCCc3c2)ccc1N	PC-id_64192152	305.822	NISFVCHRUYAXSX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040729
Clc1cc(NC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_7900145	305.822	PRENNTIBSXPMME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040730
Clc1c(C(=O)c2sc3CCCCCc3c2)ccc(N)c1	PC-id_64194839	305.822	VYEXDCQPEKEQLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040731
Clc1c(NC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_7947687	305.822	VSEPDDCOKZCTTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040732
ClC(=O)c1sc2CCN(CCc2c1)Cc1ccccc1	PC-id_54396791	305.822	VKNZGBQLYRQURJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040733
O=C(c1cc2c(s1)CCCCC2)Cc1ccncc1Cl	PC-id_115984786	305.822	UDEMIJJIGDKIOI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-040734
O=C(Nc1ccc(Cl)cc1)c1cc2c(s1)CCCCC2	CoCoCo_3260587,ZINC22_12576946,PC-id_16370270,EMOLS-id_43825042,MCULE-5320666441	305.822	JOYGMHGEJSWVSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040735
C1C(=CC=C(C2=NSN=C21)Br)Br	PC-id_163630021	305.846	HVHGIYVRTCXNQW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-040736
C=CC(C=C/C=C(/c1nn(c2c1CCNCC2)CC)C)Cl	PC-id_143040902	305.846	DACIKSMLQKXZHS-HGZGUNGYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040737
Clc1ccc(CC(N)c2sc3c(CCCCC3)c2)cc1	PC-id_63526845	305.865	QVAKXAKFJAEJGG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040738
Clc1cc(CC(N)c2sc3c(CCCCC3)c2)ccc1	PC-id_63527092	305.865	IWHDVTIHRSGJKS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040739
Clc1ccc(C(NC)c2sc3c(CCCCC3)c2)cc1	PC-id_43481366	305.865	OWLBHSSUBXDMJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040740
Clc1c(CC(N)c2sc3c(CCCCC3)c2)cccc1	PC-id_63526840	305.865	ODILPQQOFDZEDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040741
ClC(c1sc2c(CCCCC2)c1)C(c1ccncc1)C	PC-id_66460367	305.865	MMLATKCIJFNZNE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-040742
ClC(c1sc2c(CCCCC2)c1)C(c1ncccc1)C	PC-id_66459196	305.865	CJXKEBUXOTWZCT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-040743
ClC(c1sc2c(CCCCC2)c1)Cc1ncccc1C	PC-id_66460602	305.865	REQYBQUROOTBES-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-040744
ClC(c1sc2c(CCCCC2)c1)Cc1ncc(cc1)C	PC-id_66461023	305.865	KRVJGRMQRVTRSM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-040745
CNC(c1ccccc1Cl)c1cc2c(s1)CCCCC2	PC-id_115801383	305.865	PODGWFSLNPSMMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040746
CNC(c1cccc(c1)Cl)c1cc2c(s1)CCCCC2	PC-id_115811877	305.865	CSPBGZICQGRZIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040747
NC(c1ccc(c(c1)Cl)C)c1cc2c(s1)CCCCC2	PC-id_107561840	305.865	YLTUPEVIEVDJGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040748
ClC(=O)c1snc2SSSSSc12	PC-id_85960710	305.892	KLPPSWLICADPHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040749
O=C1NCC=Cc2c1[nH]c(Br)c2Br	PC-id_9904612,SCHEMBL7148114,ZINC22_75759810	305.954	OHTUDDNYUHUIAU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-040750
CNC(=O)C1=C(C(=C2N1CCCCC2)S(=O)(=O)O)Cl	PC-id_155278647	306.044	VHYWLBYHAHRAHT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-040751
C1CNCCC2=C1N=C(S2)CCCC3=CC=C(C=C3)Cl	PC-id_153758056	306.096	VWGBHRLERZOBCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040752
ICC1OC(=O)c2c(occ2)CCC1	PC-id_10590731	306.097	UFOVBHNRJXMIFI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-040753
C1CCCC2=C(CC1)C=C(S2)C(=O)NN=CC3CCOC3	EMOLS-id_257835140,PC-id_154758910,MCULE-7334276982	306.14	GETRKKLNSIRUPD-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-040754
OC(=O)Oc1sc2c(c1OC(=O)O)OC(=O)OC(=O)O2	PC-id_23198899,SCHEMBL6555561	306.16	XWJMCMVJSSPQQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040755
P(PP)(P)n1nnc2c1CN(CCC)CC=C2	PC-id_23398354	306.161	MMWJODXQHZNFLY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-040756
CC1=NN=C2N1CC[C@H](CC2)N(C)CC3=C(C=CC(=C3)F)F	PC-id_164639141	306.166	WTYSOGNTBZQGNE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040757
C1CCC2=NN=C(N2CC1)CCCNC(=O)C3CC3C(=O)O	MCULE-6940794999,EMOLS-id_52071343,PC-id_154736624	306.169	PCYXGARXZIOXKB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-040758
C1CCC2=NN=C(N2CC1)C(=O)N3C[C@H]4COC[C@]4(C3)CO	PC-id_164694747,MCULE-1015277532	306.169	OGGOBYBHKAYWHM-NHYWBVRUSA-N	00000010100000000101000000000110000000000000000000000000	31-01-040759
CC1CC(=O)C2=C(C=C1)N=C(N2COCC[Si](C)(C)C)C	PC-id_154408422	306.176	WOBPSLCGNXNAFF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-040760
CC(C)C1=NN2CC(=O)N(CCC2=C1)CCN3CCOCC3	PC-id_153397805	306.206	VVZKTWRNHGFFBK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-040761
Ic1c2CCCCCCc2sc1C	PC-id_12717969	306.206	PJMCAFOJHQPQNZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-040762
BrCC(CSc1nnc2n1CCCCC2)O	EMOLS-id_315759038,PC-id_112560978	306.223	UQPDSABMWCYDAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040763
OCC(C(F)(F)F)NC(=O)c1coc2c1C(=O)NCCC2	EMOLS-id_319184987	306.238	BOLHLAANGXNEHD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-040764
O=C(c1ccc2-c(nc1)nnn2)Oc1ccc2-c(nc1)nnn2	PC-id_140765342	306.239	GPCXNGURHUWCGU-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-040765
Cc1noc(n1)CN1CCCC(=O)c2c1n(nc2)[P+](=C)C	PC-id_145612912	306.28	ZYSXRIKJTGXBEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040767
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)F)C(=O)[O-]	PC-id_7098860	306.281	OBUFCAALNYXVJA-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-040768
FC(F)(F)COC(=O)NC(c1n2CCCCCc2nn1)C	PC-id_65173827	306.284	LSKALGSZTFIYPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040769
C1CN(CCn2c1n[nH]c2=O)C(=O)COc1ccc(cc1)F	EMOLS-id_50589895,MCULE-3458528135,PC-id_91922350	306.292	IIXSVKWJASYQKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040770
COc1ccc(cc1F)C(=O)N1CCc2n[nH]c(=O)n2CC1	EMOLS-id_50585803,PC-id_91910584,MCULE-3969541403	306.292	ZBOOMLOCTOFVET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040771
c1(NC(=O)C(F)(F)F)sc2c(CCCCC2)c1C(=O)N	ZINC22_4156099,EMOLS-id_2758297,SPECS-id_AK-968/12164287,MCULE-3929336007,PC-id_3616379,CoCoCo_6732469	306.304	QNNOPTKCZDYRHR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-040772
FC(F)(F)C1CCCC[n+]2n(c(nc12)CC)C(=O)OCC	PC-id_16689067	306.304	CDHAKZXXBQXSCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040773
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCC(C2)(F)F	PC-id_66666927,SCHEMBL365004	306.307	QAQINLOARWHPGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040774
COC1CN(Cc2cccn2C1)C(=O)c1ccc(F)c(F)c1	EMOLS-id_50012960	306.307	NXMIXWVKEJBAHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040775
COC1CN(Cc2cccn2C1)C(=O)c1cc(F)cc(F)c1	EMOLS-id_50012914	306.307	OEECWNJFENMSOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040776
CO[C@H]1CN(C(=O)c2ccc(F)c(F)c2)Cc2cccn2C1	ZINC22_247848939	306.307	NXMIXWVKEJBAHG-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040777
CO[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)Cc2cccn2C1	ZINC22_247848943	306.307	NXMIXWVKEJBAHG-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040778
CO[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)Cc2cccn2C1	ZINC22_247849675	306.307	OEECWNJFENMSOX-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040779
CO[C@H]1CN(C(=O)c2cc(F)cc(F)c2)Cc2cccn2C1	ZINC22_247849678	306.307	OEECWNJFENMSOX-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040780
O=C(Nc1ccc(c(c1)F)F)CN1CCCc2c(C1)cco2	EMOLS-id_318519019	306.307	HMPFBHQOLKVICD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040781
O=C(Nc1ccc(cc1F)F)CN1CCCc2c(C1)cco2	EMOLS-id_318749492	306.307	LSOMIOGOTZLCCF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040782
O=C(Nc1cc(F)ccc1F)CN1CCCc2c(C1)cco2	EMOLS-id_318406826	306.307	NORXHRFFZDFDQP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040783
O=C(Nc1c(F)cccc1F)CN1CCCc2c(C1)cco2	EMOLS-id_318759298	306.307	UUVYMCASQGVPEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-040784
Cc1cccnc1C(F)(F)C(=O)N1CCCc2n[nH]cc2C1	PC-id_145906930,ZINC22_852978424,EMOLS-id_320363367,MCULE-1902632804	306.311	WBDMXCRJHKNGKW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040785
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccnc1C(F)F	EMOLS-id_319599663	306.311	QDRRIDPVVBPTQN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040786
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1)C(F)F	EMOLS-id_319756892	306.311	DJAZCVPUWWJTAC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040787
CN1CCCn2cnc(c2C1)C(=O)Nc1c(ccc(c1)F)F	PC-id_91118404	306.311	SIUQNPXGIUUFRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040788
COCc1cccc(c2-c1c(C(=O)OCC)c(=O)o2)COC	PC-id_101618220	306.311	QYECCMNVXJLUMN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-040789
Fc1ccc(c(c1)CNC(=O)C1CCn2c(CC1)nnc2)F	MCULE-8745274429,EMOLS-id_320071995	306.311	NJSQBTHMEVTXFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040790
Fc1ccc(c(c1)C(=O)NCc1nnc2n1CCCCC2)F	EMOLS-id_318393132	306.311	FLGYEIFDSPNTCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040791
Fc1cc(cc(c1)F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845879	306.311	YZICIJNGIHQHLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040792
Fc1ccc(c(c1)F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101847166	306.311	KOYGGVFNFAFOJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040793
Fc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101845888	306.311	JUKBPGBBOCEKTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040794
Fc1cc(C(=O)NCc2nn3CCCNCc3c2)ccc1F	PC-id_70738726	306.311	XOURRCLXIRPEFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040795
Fc1cncc(c1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)F	EMOLS-id_316667607	306.311	KQOIQNOPXCUJQM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040796
FC(c1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_278130903	306.311	LJJJQSOHTWFUOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040797
FC(c1ccc(cn1)NC(=O)c1n[nH]c2c1CCCCC2)F	EMOLS-id_319966845,MCULE-5341819979	306.311	ZIBNIXLNFWECLL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040798
O=C(c1cccc(c1F)F)NCc1nnc2n1CCCCC2	EMOLS-id_318654164	306.311	CVZPZOGXTKJJSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040799
O=C(c1c(F)cccc1F)NCc1nnc2n1CCCCC2	EMOLS-id_318393900,PC-id_86917701	306.311	GDCPQUVLDKROHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040800
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1F)F	EMOLS-id_101965374	306.311	YLAQZYZFKLBOQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040801
O=C(N1CCCc2c(C1)cnn2C)Nc1c(F)cccc1F	EMOLS-id_101959075	306.311	MVNSWJOLZRXVFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040802
O=C(NCc1nnc2n1CCCCC2)c1ccc(F)cc1F	ZINC22_22701151,MCULE-5424587702,PC-id_30547200,CoCoCo_4625715,EMOLS-id_44054343	306.311	SBVVNXVKFJEREF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040803
O=C(NCc1nnc2n1CCCCC2)c1ccc(F)c(F)c1	ZINC22_40489053,PC-id_45805019,CoCoCo_4625752,EMOLS-id_29994375,MCULE-3130815329	306.311	JJDNWKSZPHWGBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040804
O=C(NCc1nnc2n1CCCCC2)c1cc(F)cc(F)c1	EMOLS-id_30715207,PC-id_47019772,ZINC22_48326473,MCULE-5411353224	306.311	GRZHEDVBSURXJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040805
O(C(=O)c1c2-c(c(c1)C(=O)/C=C/c1occc1)ccccc2)C	PC-id_10733426	306.312	LERIVDUATRCRPL-MDZDMXLPSA-N	00000010101000000110000000000010000000000000000000000000	31-01-040806
O(C(=O)c1c2-c(c(c1)C(=O)C=Cc1occc1)ccccc2)C	PC-id_85249178	306.312	LERIVDUATRCRPL-UHFFFAOYSA-N	00000010101000000110000000000010000000000000000000000000	31-01-040807
O=Cc1cc(c2-c1ccc(cc2)/C=C/c1[nH]cnc1)C(=O)OC	PC-id_145980636	306.315	YHXORJLJKOWZSR-GORDUTHDSA-N	00000010100000000111000000000010000000000000000000000000	31-01-040808
C1CN(Cc2cc(nn2C1)CO)C(=O)CCc1cc(=O)[nH]o1	PC-id_91789179	306.317	XTDLTCSJQHXYEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040809
Cc1noc(C)c1Cn1nc2CCC(CCn2c1=O)C(=O)O	MCULE-8919926858,EMOLS-id_207876788	306.317	HGUIOBLGWHYCFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040810
COCC1CCn2nccc2CN1C(=O)c1cc(OC)no1	EMOLS-id_313822756	306.317	HKPSWDWXWFXCDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040811
COC[C@H]1CCn2nccc2CN1C(=O)c1cc(OC)no1	ZINC22_585097081	306.317	HKPSWDWXWFXCDQ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040812
COC[C@@H]1CCn2nccc2CN1C(=O)c1cc(OC)no1	ZINC22_585097088	306.317	HKPSWDWXWFXCDQ-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-040813
COCCn1nc2CCN(CCn2c1=O)C(=O)c1ccco1	PC-id_91922424,MCULE-6226305995,EMOLS-id_50589991	306.317	UTIRLMLDNCDFEU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-040814
O=C(c1ccco1)N1CCCn2nnc(COCCO)c2C1	PC-id_97517028,EMOLS-id_44369462,ZINC22_96256072	306.317	SEKPDWKUIWHWRZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-040815
OCCOCc1ncn2c1CN(CCC2)C(=O)c1ccno1	PC-id_97410190	306.317	MEOVATQFXPPIDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040816
C1CCCn2c(C(C)n3nc(OC)c(N(=O)=O)c3)nnc2C1	EMOLS-id_32217528,TIMTEC510357,MCULE-2669844911,PC-id_71833079	306.32	VTASYOJSDFTODN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040817
c1(C(=O)NCCOc2c(C)non2)cn2c(CCNCC2)n1	MCULE-6341343322,ZINC22_1857720989,EMOLS-id_330495234	306.32	UHVRJOVOYGNZEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040818
COc1nn([C@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-]	PC-id_95796926,ZINC22_72334177	306.32	VTASYOJSDFTODN-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040819
COc1nn([C@@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-]	ZINC22_72334176,PC-id_95796925	306.32	VTASYOJSDFTODN-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-040820
N1(CC(=O)NCc2nnc3CCCCCn23)C(=O)CNC1=O	ZINC22_91416849,EMOLS-id_46025691,MCULE-5682292827,PC-id_72838546	306.32	JZRRELYITBWGLV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-040821
O=C1O[C@H]2[C@H](N1)CCN(C2)C(=O)c1nc2n(n1)CCNCC2	PC-id_118404392,SCHEMBL17124828	306.32	NWLSZSLAJNCMHQ-RKDXNWHRSA-N	00000010100010000101000000000110000000000000000000000000	31-01-040822
OCCOCc1nnn2c1CN(CCC2)C(=O)c1ccn[nH]1	PC-id_97405184	306.32	BUGDCCUAIYBCQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040823
CC(C)n1c2c(/C=CC=C/C=CC=C/C=C)c(n1)C(F)(F)F	PC-id_137483079	306.325	FDQSXGSWQSXOPO-UMDZKTTKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-040824
CC(n1nc(c2c1C=CC=CC=CC=CC=C2)C(F)(F)F)C	SCHEMBL20725317	306.325	FDQSXGSWQSXOPO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-040825
[Na+].c1(cc2-c(ccc1)c(cc2C(=O)[O-])C(O)C1CC1)C(C)C	CHEMBL94471	306.331	LFRDUNZLRJIAGQ-UHFFFAOYSA-M	00100010100000000110000000000010000000000000000000000000	31-01-040826
s1c2c(cc(c(=O)c(c2)C(=O)OCC)C(=O)OCC)cc1	PC-id_13636215	306.334	FZNZDYFQVFXCML-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-040827
s1cc2c(cc(c(=O)c(c2)C(=O)OCC)C(=O)OCC)c1	PC-id_15561622	306.334	CSWFZZBCRCHHRE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-040828
S(c1n2CCCCCc2nn1)c1c(F)cc(cc1F)C#N	PC-id_81287473	306.334	NDGKGNJAQACEIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040829
c12c(n(cn1)CCc1sc(C(=O)O)cc1)NC=NCC2O	BindingDB_PC-id_10828468,CHEMBL37494,PC-id_10828468	306.34	SWWRAXHRGMVRKY-UHFFFAOYSA-N	00000000100100000111000000000010000000000000000000000000	31-01-040830
C1CCc2c(CC1)sc(n2)/N=C/c1c([nH]c(=O)[nH]c1=O)O	PC-id_135672206	306.34	ZLEMNDLKKQDQFR-MKMNVTDBSA-N	00000000100000100101000000000010000000000000000000000000	31-01-040831
Cc1c(c(no1)C)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625476	306.34	SMUUYXBZQGQZNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040832
C=CCN(C(=O)NCc1nnc2n1CCCCC2)CC(=O)[O-]	MCULE-2292119228	306.34	KFCVHHOGXDOIOM-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-040833
O=C(O)c1cc(CCn2cnc3c2NC=NCC3O)cs1	CHEMBL290619,BindingDB_PC-id_10686092,PC-id_10686092	306.34	HLHDOBTYPKHHAZ-UHFFFAOYSA-N	00000000100100000111000000000010000000000000000000000000	31-01-040834
[O-][N+](=O)c1cn2c(n1)OCCN(CC2)Sc1ccccc1	PC-id_145578239	306.34	OLYBWGGQSZFGOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040835
s1c2CCCCCc2nc1NC=C1C(=O)NC(=O)NC1=O	PC-id_21236049	306.34	NRGTWFZJHRPMES-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-040836
s1c2CCCC(=O)N(c2cc1)Cc1onc(c1)C(=O)NN	PC-id_63749159	306.34	BHIKWRMTBSAJGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040837
s1c2CCCC(=O)N(c2cc1)CCn1nnc(c1)C(=O)O	PC-id_63749152	306.34	CFRPQICEORHGRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040838
Cn1cnc(C(=O)N2CCc3nc(C(=O)N)sc3CC2)n1	EMOLS-id_313792310,ZINC22_1565555279	306.344	WCUOFVLUEZAERW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040839
Nc1nc(cc(c1)[N+](=O)[O-])Sc1nnc2n1CCCCC2	PC-id_108354069	306.344	UQHAITGFDOSNGT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040840
S(c1n2CCCCCc2nn1)c1nc(N)ccc1[N+](=O)[O-]	PC-id_80869994	306.344	KWKXTIWPUOIZJP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040841
S(c1n2CCCCCc2nn1)c1nc(N)c([N+](=O)[O-])cc1	PC-id_81579578	306.344	WJOXQVUYIMPPDS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040842
O=C(N1CCCCc2c1sc(n2)C)CCCC(F)(F)F	MCULE-7304349524,EMOLS-id_320260016	306.347	KLWNNRGATZFCEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040843
Cc1cc(F)c(CNCc2nnc3n2CCCCC3)c(F)c1	MCULE-7508534187,EMOLS-id_316913042,ZINC22_424126992	306.354	CLQGTZMJGPPSPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040844
CC(c1cccc(c1F)F)NCc1nnc2n1CCCCC2	EMOLS-id_318072532,MCULE-5265488070	306.354	SKHLLOOMELRSFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040845
CC(c1ccc(c(c1)F)F)NCc1nnc2n1CCCCC2	MCULE-5742978174,EMOLS-id_318057081	306.354	XJNCDWCEVXZLAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040846
CC(c1ccccc1NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318466177,MCULE-3879927973	306.354	KNOAOXNXMFRURC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040847
CC(c1c(F)cccc1F)NCc1nnc2n1CCCCC2	MCULE-9310265776,EMOLS-id_318681518	306.354	QHVREKQDQMTWRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040848
CN(Cc1ccc(F)cc1F)C1CCc2nnc(C)n2CC1	MCULE-2458237733,EMOLS-id_239612703	306.354	SLTMWXSFIOBBEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040849
Fc1ccc(c(c1)CN(C1CCn2c(CC1)nnc2C)C)F	MCULE-8062674266,EMOLS-id_239612757	306.354	WTYSOGNTBZQGNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040850
Fc1ccc(c(c1)C(NCc1nnc2n1CCCCC2)C)F	EMOLS-id_318241718,MCULE-4514486277	306.354	CYROSCYQVIUKFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040851
Fc1ccc(c(c1)F)[C@H](NCc1nnc2n1CCCCC2)C	MCULE-3316683915,EMOLS-id_318202113	306.354	UWFTWLPCELJQER-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040852
Fc1ccc(c(c1)F)[C@@H](NCc1nnc2n1CCCCC2)C	MCULE-4109116300,EMOLS-id_318250440	306.354	UWFTWLPCELJQER-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-040853
Fc1cc(ccc1F)CN1CCn2c(CC1)nnc2C(C)C	CoCoCo_1174119,PC-id_42367633,CoCoCo_1174118	306.354	SAHARDIVZJBOHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040854
Fc1ccc(c(c1)F)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318202369,MCULE-7403556389	306.354	UWFTWLPCELJQER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040855
Fc1cc(F)cc(c1)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318258757,MCULE-4053804157	306.354	DRRDMZJPIGHYAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040856
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc(c1F)O	MCULE-5116458886,EMOLS-id_319885275	306.355	UTJRAQFJDXKBNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040857
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc(c1O)F	EMOLS-id_319197693	306.355	PJQSZERFWHICOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040858
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(c(c1)O)F	EMOLS-id_319613762	306.355	SSIHZCVRKSQJJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040859
Oc1ccc(c(c1)F)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319689199	306.355	YGNDNEYLBXZGMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-040860
CC1CCC(CN1C(=O)c1noc2c1CCCCC2)C(=O)O	EMOLS-id_72921967,MCULE-4335780166,PC-id_122112995	306.357	RNXGJVXIJQFLEV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-040861
CC1CC(CN(C1)C(=O)c1noc2c1CCCCC2)C(=O)O	PC-id_122117475,EMOLS-id_72930917,MCULE-9823447937	306.357	KVKRNOUXKZQJJH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-040862
CC1CCN(C(C1)C(=O)O)C(=O)c1noc2c1CCCCC2	PC-id_121957873,MCULE-3802563157,EMOLS-id_72624655	306.357	VPGYZCPPVNTHTA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-040863
CC(CC1(O)CCC1)NC(=O)c1coc2c1C(=O)NCCC2	EMOLS-id_319160781	306.357	WMNBKRMLRUMPHK-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-040864
CC(C(=O)O)CN(C(=O)c1noc2c1CCCCC2)C1CC1	EMOLS-id_57638983,PC-id_120535330,MCULE-9264694324	306.357	BABCYTLEACTMBA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-040865
C[C@@H](C1CN(C1)C(=O)c1coc2c1C(=O)NCC(C2)(C)C)O	EMOLS-id_318966177	306.357	ZVYHHIQGRPWDCM-VIFPVBQESA-N	00001000100000000100000000000010000000000000000000000000	31-01-040866
CC(=O)CC1COCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_111935668	306.357	WAQVROFFXHTCHZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-040867
CCOC(=O)C1=CNCC(c2c1[nH]c(c2)C(=O)OCC)(C)C	PC-id_69436920,SCHEMBL5426830	306.357	KHBCXIUJRCBEKH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-040868
CCOC(=O)C1C=NCC(c2c1[nH]c(c2)C(=O)OCC)(C)C	PC-id_91058776	306.357	WQIRWIQNCGLTDR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-040869
COC(=O)C1(C)CCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_111936139	306.357	UBIIEHORQSLRRM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-040870
COC(=O)C1(C)CCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111425960	306.357	BBWYPVXNTDTXNJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-040871
COC(=O)C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111823569	306.357	DKXXIHRYCSFOHK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-040872
o1nc(OCC#C)c2c1C(CCN(C2)C(=O)OC(C)(C)C)C	PC-id_10402892	306.357	GBSUWFKTGRRDTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040873
O=C(c1coc2c1C(=O)NCCC2)NC(C(O)(C)C)C1CC1	EMOLS-id_318915363	306.357	AQEGKCNTNXBICT-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-040874
O=C(c1noc2c1CCCCC2)N1CCCC(C1)(C)C(=O)O	MCULE-4881591684,EMOLS-id_72686081,PC-id_121990454	306.357	OLFYSXRXYIFAAP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-040875
O=C(c1noc2c1CCCCC2)NC1(CCCCC1)C(=O)O	PC-id_120512735,EMOLS-id_57583791,MCULE-8486345563	306.357	KSINPHCVXMBEFH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-040876
O=C(CN1CCCC[C@@H](O)C1=O)N1CCCc2occc2C1	ZINC22_644482543	306.357	LSTYCERTVITUQM-CYBMUJFWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-040877
O=C(CN1CCCC[C@H](O)C1=O)N1CCCc2occc2C1	ZINC22_644482546	306.357	LSTYCERTVITUQM-ZDUSSCGKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-040878
O[C@@H]1COC[C@H]1N(C(=O)c1noc2c1CCCCC2)C1CC1	EMOLS-id_319284517	306.357	QLWMTQSMPMTHJU-CHWSQXEVSA-N	00100010100000000101000000000010000000000000000000000000	31-01-040879
O=C(N1CCCc2c(C1)cco2)CN1CCCCC(C1=O)O	EMOLS-id_316107394,MCULE-8658344978	306.357	LSTYCERTVITUQM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-040880
OC(=O)C1CCC(CC1)NC(=O)c1noc2c1CCCCC2	MCULE-7568055077,PC-id_120524533,EMOLS-id_57612475	306.357	OFZQUKZVJDOCAP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-040881
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Cc1nccc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319508552	306.383	BKWATJMWKPSGIL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-040991
Cc1nnc(o1)CCC(=O)N1CCCCc2c1sc(n2)C	MCULE-2884158742,EMOLS-id_320156436	306.383	UOOWTBGEUWGHAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-040992
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CN(C(=O)NC1CCn2c(CC1)nnn2)Cc1cccs1	EMOLS-id_102183108	306.387	AVMWPZJDVHBYNN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-041057
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CC(C1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102164881	306.407	OOUGEHASHKXCLK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041343
CCCC1(CCC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158671	306.407	PGZKZJHMUAYVHO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-041344
CCC(C1CCCC1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182976	306.407	OJKMZRRBBWYBKY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-041345
CCCC1CCCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102167107	306.407	PHTPWHKBWYJFNL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041346
CC(CC1CCCN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102159064	306.407	VPYWDJAUJRUNIY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-041347
CCCC1CCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165112	306.407	XWJWFCDAXWHVRF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041348
CC(CC1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102164953	306.407	ZCDOXBMPDYFROW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-041349
CCCC(C1CCC1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102107075	306.407	ABEOHOFAYBPWPS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-041350
CC(C)C[C@@H](NC(=O)C1(N)CC1)c1nnc2n1CCNCC2	PC-id_95215321,ZINC22_67822129	306.407	VVLREFMDONLTMB-LLVKDONJSA-N	00100000100000000101000000000010000000000000000000000000	31-01-041351
CC(C)C[C@H](NC(=O)C1(N)CC1)c1nnc2n1CCNCC2	ZINC22_67822127,PC-id_95215320	306.407	VVLREFMDONLTMB-NSHDSACASA-N	00100000100000000101000000000010000000000000000000000000	31-01-041352
CC(CCN(C(=O)NC1CCn2c(CC1)nnn2)C1CC1)C	EMOLS-id_102183336	306.407	UFGOOMRRTRVKSZ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-041353
CC([C@H]1CN(CCN1C)C(=O)C1CCn2c(CC1)nnn2)C	EMOLS-id_320080109,MCULE-3314370284	306.407	CAEPWSDGIJGPPJ-ZGTCLIOFSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041354
CC(C(N(C(=O)NC1CCn2c(CC1)nnn2)C1CC1)C)C	EMOLS-id_102165076	306.407	PHDFMJWGQFOVLE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-041355
CC(C(=O)NC1CCn2c(CC1)nnn2)N1CCCCCC1	EMOLS-id_102160306	306.407	NUGPYAHVHBWOFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041356
C[C@@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCNCC2	ZINC22_299755424	306.407	CLJFYVDGSHHEQP-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041357
C[C@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCNCC2	ZINC22_299755425	306.407	CLJFYVDGSHHEQP-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-041358
CCN1CC(C(C1)(C)C)NC(=O)C1CCn2c(CC1)nnn2	MCULE-1963933942,EMOLS-id_320105610	306.407	DWYIKEUULLPHHJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-041359
CC(N1CCCC(C1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_319771276	306.407	CXJUDQLNCUSIBG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041360
CCN1CCC(CC1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320023861,MCULE-2782602722	306.407	MIONTKAJDVWRFG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041361
CCN(C1CC(C1)(C)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102107117	306.407	RLYOSNDPQKPUQS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-041362
CCNC(=NCc1nnc2n1CCCCC2)N1CC[C@H](C1)O	PC-id_111551180	306.407	XNOXIQILEVVRHI-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-041363
CCN(C(=O)NC1CCn2c(CC1)nnn2)C1CCCCC1	EMOLS-id_102183084	306.407	YCCCWJUVGTUTAZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041364
CC(N(C(=O)NC1CCn2c(CC1)nnn2)CC1CCC1)C	EMOLS-id_102168922	306.407	VEDWVKHTXJGJCA-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-041365
CC(=O)NCc1nnn2c1CN(CCC2)CCN1CCCC1	PC-id_97413604	306.407	UVIIGEGPXUBLJS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-041366
CN1CCCC(C1)C(=O)NCCc1nnc2CCNCCn12	MCULE-1348599665,PC-id_118759134,EMOLS-id_68879677	306.407	CCYBXXLRIPZENO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041367
CN1CCC(CC1)NC(=O)NCc1nnc2n1CCCCC2	EMOLS-id_110368871	306.407	WFYHGHQKDQQXQM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041368
CN1CCC[C@@H](C(=O)NCCc2nnc3n2CCNCC3)C1	ZINC22_299765718	306.407	CCYBXXLRIPZENO-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041369
CN1CCC[C@H](C(=O)NCCc2nnc3n2CCNCC3)C1	ZINC22_299765719	306.407	CCYBXXLRIPZENO-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041370
CN(C1CC1)C(CNC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319725428	306.407	GBXOBIHJIXVYOB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-041371
CN(CCC1CCCN1C(=O)C1CCn2c(CC1)nnn2)C	EMOLS-id_318920140	306.407	GJIRZHHOEDCTNW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-041372
CN=C(NCc1nnc2n1CCCCC2)NCC1CCCO1	PC-id_111138965	306.407	BRTYLPLDHBVAFG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-041373
CNC(=O)CN1CCc2n(CC1)c(nn2)CN1CCCCC1	PC-id_97405801	306.407	ZCZGHMVMOKZXFW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041374
CNC(=O)NC1CCCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_319613921	306.407	APJFDSDPJNMCGR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041375
CN(C(=O)NC1CCn2c(CC1)nnn2)C1CCCCCC1	EMOLS-id_102183198	306.407	ZZCGAXUDOUQHCY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041376
CN(C(=O)NC1CCn2c(CC1)nnn2)CC1CCCCC1	EMOLS-id_102183258	306.407	CZAIUMXVCOCDPL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041377
NC(=NCCCc1nnc2n1CCCCC2)N1CCOCC1	PC-id_111093709	306.407	RVNVYRHNZDWQEC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041378
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Cc1nc2n(c1)nc(s2)Sc1nnc2n1CCCCC2	EMOLS-id_110909721	306.41	ZLYMDDWYSSKDTA-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-041403
CCc1cc(ccc2-c1c(CC)cc2S(=O)(=O)O)C(C)C	PC-id_101590539	306.42	BDQKAKXWHREEQW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-041404
CCCc1cc(c2-c1c(C)cc(cc2)C(C)C)S(=O)(=O)O	PC-id_101590533	306.42	FBEHQRKXKDQCTE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-041405
CCCCc1cc(c2-c1cccc(c2)C(C)C)S(=O)(=O)O	SCHEMBL10810406,PC-id_11722710	306.42	YPWOIUSOUXUQGU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-041406
CCOS(=O)(=O)c1c2-c(cc(ccc2C)C(C)C)c(C)c1	MCULE-6416500466,SCHEMBL17229424,PC-id_71388501	306.42	RBHFPIHDGCGQPN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-041407
c1(c2CCCCCCc2sc1NC(=O)C)C(=O)NC1CC1	EMOLS-id_13330048,MCULE-6716751829,CoCoCo_1068490,ZINC22_12379562,PC-id_17172958	306.423	HZLLDZGWQFBBNZ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-041409
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CCC1=C(C)N=c2c(=C(C1)C)c(N)c(s2)C(=O)OC(C)C	PC-id_143185833	306.423	UEBBSIYMNXPQGG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-041411
CC(C)(C)OC(=O)Nc1sc2CCCCCCc2c1C#N	EMOLS-id_331269435	306.423	YQGKHWOTVINJDC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041412
CCC(C(=O)N1CCCc2c(C1)ccs2)N1CCCC1=O	PC-id_75374698,EMOLS-id_48244299,MCULE-3725372108	306.423	WIGBYCNKTWJDIK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-041413
C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101195053	306.423	YVZYJOJGSCNRCN-YPMHNXCESA-N	00000010100000000101000000000010000000000000000000000000	31-01-041414
CC[C@@H](C(=O)N1CCCc2sccc2C1)N1CCCC1=O	PC-id_97218754,ZINC22_95404254	306.423	WIGBYCNKTWJDIK-ZDUSSCGKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-041415
CC[C@H](C(=O)N1CCCc2sccc2C1)N1CCCC1=O	ZINC22_95404255,PC-id_97218755	306.423	WIGBYCNKTWJDIK-CYBMUJFWSA-N	00000010100000000100000000000010000000000000000000000000	31-01-041416
COc1cnn(c1C(c1cc2c(s1)CCCCC2)O)CC	PC-id_115837123	306.423	BOTSWIZSASKDBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041417
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O=C(c1cc2c(s1)CCCCC2)NCC1(C)CCNCC1	EMOLS-id_302196400,MCULE-3509456029,PC-id_104333632	306.466	LTBYJBCREWJVSP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041623
O=C(c1cc2c(s1)CCCCC2)NCCC1CCCNC1	PC-id_63628024,EMOLS-id_301318646,MCULE-9156792770	306.466	LWOZJIHEIZJZDR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041624
O=C(c1csc2c1CCCCC2)NCCCN1CCCC1	CoCoCo_2171583,PC-id_6622893	306.466	AYBQDLPRWJXBKZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-041625
O=C(c1sc2c(c1)CCCCCC2)NCC1CCCNC1	EMOLS-id_301570225,MCULE-2147846944,PC-id_119461162	306.466	BHBMLFJQKROVFA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041626
O=C(c1sc2c(c1)CCCCCC2)NCCC1CCNC1	EMOLS-id_301656317,MCULE-9805362178,PC-id_119534725	306.466	MKOTWLNAZLQFCU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-041627
O=C(N1CCCc2c(C1)ccs2)C(CC1CCCCC1)N	EMOLS-id_318327990,MCULE-7565737178	306.466	AYKKYYCMGAPWAK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041628
O=C(N1CCC(C(C1)(C)C)N)c1cc2c(s1)CCCCC2	PC-id_120814561	306.466	MFNQSZBKMKXPAH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041629
O=C(N(C1CCNCC1)C)c1sc2c(c1)CCCCCC2	EMOLS-id_301567599,PC-id_119442107,MCULE-2574419419	306.466	RYONNVAWQSZNLS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041630
s1c2c(CCCCC2)cc1C(=O)N1CCC(CC1)CCN	PC-id_64024596	306.466	QUBYIKLQJTUAAH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041631
s1c2c(CCCCC2)cc1C(=O)NC1C(CCCC1)CN	PC-id_65848477	306.466	RDNUWZYSMZPYDQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041632
s1c2c(CCCCC2)cc1C(=O)N(C1CCCNC1)CC	PC-id_63638471	306.466	VUUSCJAIMKMSDC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041633
s1c2c(CCCCC2)cc1C(=O)N(C1CCC(N)CC1)C	PC-id_79112974	306.466	SZAFJJGLJIWDLP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041634
s1c2c(CCCCC2)cc1C(=O)NC1CCC(NC)CC1	PC-id_79117767	306.466	DAUKMBYKPQWSHQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041635
s1c2c(CCCCC2)cc1C(=O)N(C1CCNCC1)CC	PC-id_60806565	306.466	RARBHEMAUANBQI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041636
s1c2c(CCCCC2)cc1C(=O)NC1C(N)CCCCC1	PC-id_63257678	306.466	IGGBJGQFAZZIHR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041637
s1c2c(CCCCC2)cc1C(=O)N(CC1CCNCC1)C	PC-id_79700654	306.466	IUDRZPWSRIZEON-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041638
s1c2c(CCCCC2)cc1C(=O)NCC(N(C1CC1)C)C	PC-id_56464659	306.466	RMQGBQDIMRJXLD-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-041639
s1c2c(CCCCC2)c(C(=O)NCC2N(CCC2)CC)c1	PC-id_6623142	306.466	FACQCFTXSGRYFR-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-041640
s1c(C(=O)N2C(C(CCC2)C)CN)cc2c1CCCCC2	PC-id_64022266	306.466	SQIQMTLEFYDERW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041641
s1c(C(=O)N2C(CCCC2C)CN)cc2c1CCCCC2	PC-id_64028436	306.466	IULZLBMEFGIGBR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041642
s1c(C(=O)N2C(CCC(C2)CN)C)cc2c1CCCCC2	PC-id_64021419	306.466	XYYPFVYMSLNJDU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041643
s1c(C(=O)N2C(CCCC2)CNC)cc2CCCCCc12	PC-id_63249083	306.466	GIDKKCLCULVNNC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041644
s1c(C(=O)N2CC(C(N)CC2)CC)cc2c1CCCCC2	PC-id_81452543	306.466	JMKPQBWCYOMNNS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041645
s1c(C(=O)N(C2C(CCC2)CN)C)cc2c1CCCCC2	PC-id_65850503	306.466	DPFJWUZDHRUMBI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-041646
CCCn1nc(c2c1C(=S)NCC(=N2)C(C)(C)C)C(C)C	SCHEMBL5410100,PC-id_22281681	306.469	LKWPWHJBXRGKEN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-041647
S(CCNC(C1CC1)C1CC1)c1n2CCCCCc2nn1	PC-id_62579209	306.469	ZHWZSTQCYYDQTC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-041648
CCc1ccc(s1)CC(c1cc2c(s1)CCCCC2)O	PC-id_115786427	306.486	OWBAKMQEDMPSSB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-041649
CCNC(c1cc2c(s1)CCCCC2)Cc1cncs1	PC-id_105030265	306.489	HUVGVUKFNOBSGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041650
CCNC(c1cc2c(s1)CCCCC2)Cc1nccs1	PC-id_105014841	306.489	FCVLKGXWWMHFAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041651
CNC(c1cc2c(s1)CCCCC2)Cc1csc(n1)C	PC-id_104997143	306.489	PUFOGAIOBIOJIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041652
CNC(c1cc2c(s1)CCCCC2)Cc1scc(n1)C	PC-id_105019391	306.489	QIYRWGJCXVEPES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041653
NC(c1cc2c(s1)CCCCC2)Cc1nc(c(s1)C)C	PC-id_105019990	306.489	OEBJTIXYFHJQOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041654
NNC(c1cc2c(s1)CCCCC2)CCc1cccs1	PC-id_105308788	306.489	HZCVISSVRDQTCK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-041655
NNC(c1cc2c(s1)CCCCC2)CCc1cscc1	PC-id_113701758	306.489	LMEPKIJKRQHYMG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-041656
CCCCCCCCCC(=O)c1cc2c(s1)CCCCC2	PC-id_114966437	306.506	SEHXZEJDNLDYJK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041657
C1CCN(CC1)CCCNCc1cc2c(s1)CCCCC2	PC-id_104433766	306.509	GXOMGNMDORPQAI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041658
CCC1CCCCC1C(c1cc2c(s1)CCCCC2)NN	PC-id_105309575	306.509	VVFQXPOJOMZERH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041659
CCC1CCC(CC1)C(c1cc2c(s1)CCCCC2)NN	PC-id_105312997	306.509	XLNUQRGMGDSWEU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041660
CCC1CCCC(C1)C(c1cc2c(s1)CCCCC2)NN	PC-id_105313652	306.509	OKCOJOBCDNMPEK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041661
CCCc1nc2c(s1)CCN(CC2)CCC1CCCCC1	PC-id_145451512	306.509	NQLMITOWZZKPDN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041662
CC(CN1CCCCC1)NCc1cc2c(s1)CCCCC2	PC-id_104407334	306.509	VPHDOFLEUIZYIT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041663
CS/C(=C/C1=C(C)C(=C)C=C(c2c1sc(c2)C)S)/C	PC-id_144537728	306.509	UHJPZJMZMWIPBS-JXMROGBWSA-N	00000000100000000110000000000010000000000000000000000000	31-01-041664
NNC(c1cc2c(s1)CCCCC2)C1CCC(C(C1)C)C	PC-id_105312313	306.509	IGSKEESNXIALLM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041665
NNC(c1cc2c(s1)CCCCC2)C1CC(C)CC(C1)C	PC-id_105312107	306.509	RZULJZFVHIFBFU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-041666
s1c(nc2c1CCCCCCCCCC2)CC1NCCC1	PC-id_63524164	306.509	VBSPKUATOHEYMK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-041667
s1c(nc2CCCCCCCCCCc12)CNCC1CC1	PC-id_64437507	306.509	CGWUWKOFIRAFNZ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-041668
CCOC(=O)c1cc(c2-c1ccc(cc2)Cl)C(=O)OCC	PC-id_102572051	306.741	IJKXVSFSTSDRDK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-041669
Clc1c(c2-c(c1C(=O)OCC)ccccc2)C(=O)OCC	PC-id_10244674	306.741	SYHKOSYNMHYLPX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-041670
c1(C(=O)Nc2c(O)ccc(Cl)c2)c2CCCCCc2on1	MCULE-3554851262,EMOLS-id_15972030,PC-id_4053929,ZINC22_426558,ChEMBL-DNDi_CHEMBLC226-3476,TIMTEC402570	306.744	QIWFBKAYJNXAMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041671
Clc1cc(ccc1OC1CCNCc2c1cco2)C(=O)N	SCHEMBL10078689,PC-id_68028599	306.744	BMYDTNXGZUBVRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041672
Cc1cc(O)c(cc1C(=O)N1CCCn2c(C1)cnn2)Cl	EMOLS-id_319950769,MCULE-4521215358	306.748	IEEDOUKOPUQORE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041673
Clc1ccccc1CC(=O)N1CCc2n[nH]c(=O)n2CC1	EMOLS-id_49731289,PC-id_91922353,MCULE-7677594636	306.748	WNWMPOOYVDMCEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041674
Clc1ccc(c(c1)O)NC(=O)C1CCn2c(CC1)nnc2	MCULE-3308408120,EMOLS-id_320084104	306.748	XDKZCEASDSFAOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041675
Clc1ccc(CC(=O)N2CCc3n[nH]c(=O)n3CC2)cc1	PC-id_91910582,EMOLS-id_50585709,MCULE-9652670919	306.748	OQRTVIMGJWGBOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041676
Clc1ccc(nc1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318896067	306.751	SDWLJPDXPVGGJZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-041677
O=C(Nc1ccccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102023926	306.751	YVJQMKBEMXQNRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041678
O=C(Nc1cccc(c1)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102025291	306.751	KDAFSYMEWMTETC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041679
O=C(Nc1ccc(cc1)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102025330	306.751	CNPGCKQTALGQAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041680
Clc1ccc(cn1)C(=O)C1CCCc2c(C1=O)scn2	PC-id_141283467	306.767	MFAHTIVPCYXBJA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-041681
c12CN(CCCn1nc(C#N)c2)C(=O)c1ccc(Cl)s1	EMOLS-id_177359478,MCULE-6396429909,ZINC22_584884379	306.771	JHHYZMSZUQKKLV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-041682
ClC(C(O)c1c2-c(cc1)ccccc2)C(=O)OC(C)(C)C	PC-id_10892156	306.784	KAKHFNKDYHFOHH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-041683
Cc1ccc(c(c1)Cl)CNCc1nnc2n1CCOCC2	EMOLS-id_318722458,MCULE-5430586741	306.791	VRLMZKIVHMRRTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041684
Cc1cc(CNCc2nnc3n2CCOCC3)ccc1Cl	EMOLS-id_318641287,MCULE-6775195672	306.791	VLVOFXQQMITYFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041685
Cc1cc(CNCc2nnc3n2CCOCC3)cc(c1)Cl	MCULE-2588253325,EMOLS-id_318651375	306.791	VYFFOEXWHPDAIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041686
CC(c1nn2CCCN(Cc2c1)Cc1c(ccnc1)Cl)O	PC-id_91780368	306.791	AYHMSXQVQMHDJJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-041687
CCn1cc(cc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)Cl	EMOLS-id_319419376	306.791	OUUUTJNJECESCA-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-041688
Clc1ccc(c(c1)C)CNCc1nnc2n1CCOCC2	EMOLS-id_318614951,MCULE-9714065805	306.791	SWHIAIQQJOGFEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041689
Clc1cccc(c1C)CNCc1nnc2n1CCOCC2	EMOLS-id_318766008,MCULE-5857452596	306.791	GZIMPORBLCUWGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041690
Clc1cc(CNCc2nnc3n2CCOCC3)ccc1C	EMOLS-id_318520071,MCULE-2329674153	306.791	KRICENUFXLNFNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041691
Clc1ccncc1CN1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_100062615	306.791	AYHMSXQVQMHDJJ-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-041692
Clc1ccncc1CN1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_100062616	306.791	AYHMSXQVQMHDJJ-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-041693
COc1cc(ccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318236121,MCULE-9616544968	306.791	XARUHNKTRMZHSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041694
COc1c(cccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318311726,MCULE-5773455211	306.791	UCCSBBJAYAAGCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041695
COc1cccc(c1NCc1nnc2n1CCCCC2)Cl	MCULE-2527417739,EMOLS-id_318105274	306.791	BNVKLYWHJBHLSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041696
COc1ccc(c(c1)NCc1nnc2n1CCCCC2)Cl	MCULE-6902754118,EMOLS-id_318108908	306.791	LHLHUERFAULQQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041697
COc1ccc(Cl)cc1CNc1nnc2n1CCCCC2	ZINC22_8493032,MCULE-7880066516,PC-id_4752697	306.791	ZYBKVSHIFTWNCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041698
COc1ccc(Cl)cc1NCc1nc2n(n1)CCCCC2	ZINC22_28527880,MCULE-9032787373,PC-id_16458796,CoCoCo_6602094	306.791	BPFNAXKKKOXASU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041699
COc1ccc(Cl)cc1NCc1nnc2n1CCCCC2	CoCoCo_2580268,PC-id_7267320,MCULE-5331268475,ZINC22_4518193,CHEMBL1397070,EMOLS-id_2701536	306.791	HBOVCXPYIBAIII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041700
COc1cc(Cl)ccc1NCc1nnc2n1CCCCC2	EMOLS-id_318503383,MCULE-6164120164	306.791	KJNMHNJEZIJXCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041701
COc1ccc(NCc2nnc3CCCCCn23)cc1Cl	MCULE-4675952383,EMOLS-id_10095907,PC-id_7566161,ZINC22_5223686,CoCoCo_6294000	306.791	HYCVTKSOPPTSRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041702
COc1ncc(cc1Cl)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319506323	306.791	YLJAOWHKEAQOPJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-041703
Cc1c(Cl)nnc(c1C)NCc1nnc2n1CCCCC2	MCULE-7376837365,EMOLS-id_318505701	306.794	YNDUDZJZWNIJCV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-041704
Clc1c(Cn2cc3C(NC)CCCCc3c2)ccc(F)c1	PC-id_83210022	306.806	CFPKUQGUMOCOEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041705
Clc1c(Cn2cc3C(NC)CCCCc3c2)c(F)ccc1	PC-id_83210223	306.806	XSBOXDNNZCRPKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041706
CNC1CCCCc2c1cn(c2)Cc1ccc(c(c1)Cl)F	PC-id_103038843	306.806	MGXFAPPUMDFLEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041707
CNC1CCCCc2c1cn(c2)Cc1cccc(c1Cl)F	PC-id_115983340	306.806	KGQRFLLHKIVSJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041708
CNC1CCCCc2c1cn(c2)Cc1cccc(c1F)Cl	PC-id_102856779	306.806	APWULEMCBADLBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041709
CNC1CCCCc2c1cn(c2)Cc1ccc(c(c1)F)Cl	PC-id_107883370	306.806	XBNWIZQYBZNROD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041710
CNC1CCCCc2c1cn(c2)Cc1ccc(cc1F)Cl	PC-id_114851670	306.806	WPXVJVFPCGPMRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041711
CNC1CCCCc2c1cn(c2)Cc1cc(Cl)ccc1F	PC-id_103047440	306.806	YUHKLISHCNDEOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041712
CNC1CCCCc2c1cn(c2)Cc1cc(F)ccc1Cl	PC-id_102617123	306.806	CNNCARPEMDNRNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041713
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccccc1Cl	EMOLS-id_318956029	306.81	HDHAPBSJQNXUDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041714
Clc1cccc(c1)C(=O)Nc1nc2CCCCCc2s1	CoCoCo_4546028,EMOLS-id_16778554,PC-id_17534372,MCULE-4741682658,ZINC22_12745313	306.81	MNHNEYQVULWQHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041715
Clc1ccc(cc1)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_16760966,CoCoCo_4546021,MCULE-8436513190,ZINC22_12784534,PC-id_17528948	306.81	VIFYMSBHMOOHDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041716
Clc1ccccc1C(=O)Nc1nc2CCCCCc2s1	MCULE-9247055225,ZINC22_12828205,CoCoCo_4546019,PC-id_17515182,EMOLS-id_16720220	306.81	QJBTUJHERMJNOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041717
Clc1cccc(n1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_104820139	306.81	AJHWUTHEYYADCD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-041718
Clc1ccc(C(=O)N2CCCCc3nc(sc23)C)cc1	PC-id_10086511	306.81	OQFATEIDFMDBAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041719
Clc1c(C(N2CCNC(=O)c3sccc23)C)cccc1	SCHEMBL503995,PC-id_58074318	306.81	CLWLMVPDQVREAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041720
Clc1ccnc(c1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_115627280	306.81	IFYTXSKKQIHCHP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-041721
Clc1c(C(=O)N2CCCCc3sccc23)ccc(N)c1	SCHEMBL6988374,PC-id_21467128	306.81	YQGYCMPASYWHGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041722
Clc1nccc(c1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_108206177	306.81	VMFBXBQAMWBOQR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-041723
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(N)cc1	PC-id_21467127,SCHEMBL6990937	306.81	YOUQFEMUKPVTHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041724
O=C(c1cc2c(s1)CCCCC2)Nc1cnccc1Cl	PC-id_103745066	306.81	NSAOVYBSYWTROQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-041725
O=C(c1cc2c(s1)CCCCC2)Nc1ncccc1Cl	PC-id_103943361	306.81	BYVFWUOJZMITHL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-041726
ClCCS(=O)(=O)NC(c1nnc2n1CCCCC2)C	PC-id_107651483	306.812	HHIRFUPXLMLNGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041727
Clc1c(n(nc1C)CC)Cn1cc2C(N)CCCCc2c1	PC-id_83209238	306.834	LTBDOUNKYAPQOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041728
Clc1c(n(nc1CC)C)Cn1cc2C(N)CCCCc2c1	PC-id_83209443	306.834	IGIUCOMEIXAFOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041729
Clc1c(n(nc1C)C)Cn1cc2C(NC)CCCCc2c1	PC-id_83211754	306.834	BJFWNXUOCRZQJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041730
Clc1n(c(nc1)Cn1cc2C(NCC)CCCCc2c1)C	PC-id_83210432	306.834	HDVPUQFIRQBHMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041731
CNC1CCCCc2c1cn(c2)Cc1c(C)nn(c1Cl)C	PC-id_116067573	306.834	QRIAHCQPLZMHHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041732
Clc1ccc(CC(O)c2sc3c(CCCCC3)c2)cc1	PC-id_63519654	306.85	RODORMNCDBUJFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041733
Clc1cc(CC(O)c2sc3c(CCCCC3)c2)ccc1	PC-id_63518093	306.85	NJSBKGADOXHKAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041734
Clc1c(CC(O)c2sc3c(CCCCC3)c2)cccc1	PC-id_63519290	306.85	XLRIGZRNOQZKDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041735
ClC(c1sc2CCCCCc2c1)c1ccc(OC)cc1	PC-id_63428848	306.85	PPDPPQTWIBQPNK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041736
OC(c1ccc(c(c1)Cl)C)c1cc2c(s1)CCCCC2	PC-id_107562244	306.85	WYUALXYZMXVSKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041737
NC(c1cc2c(s1)CCCCC2)Cc1ccncc1Cl	PC-id_115984844	306.853	VJFXDWPBGGVEDW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-041738
NNC(c1cc2c(s1)CCCCC2)c1ccc(cc1)Cl	PC-id_113699042	306.853	LYMQHGLEUKHDAK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041739
NNC(c1ccccc1Cl)c1cc2c(s1)CCCCC2	PC-id_105287298	306.853	IKYYWCMNRBJXNI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041740
NNC(c1cccc(c1)Cl)c1cc2c(s1)CCCCC2	PC-id_105289129	306.853	HJWFHEQLAUGRIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-041741
CN1C2=C(C=CI=C=C2)SC1=S	PC-id_163557258	306.899	FODROYQASMISRA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-041742
C1C(COC2=CSC=C2O1)OCCCCS(=O)(=O)[O-]	PC-id_152770368	307.032	XWRFZBSWMKYPKE-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-041743
C1CN(CCC2=C1N=C(S2)N)C(=O)C3=CC(=CC=C3)Cl	PC-id_153741287	307.055	UKZKOGWDWIOXQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041744
CC(=O)NC1=NC=C(S1)CN2CCC3=C(CC2)SC=C3	PC-id_154685709	307.081	VXKYJRXEKFBUID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041745
C1C=CC=CC=COCC2=CN=CN2C=CC=CC(=CO1)C#N	PC-id_154383838	307.132	QTNXHZXEIKACDF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-041746
BrCC(=O)c1c2-c(c(c1)C(=O)OC)ccccc2	PC-id_10902868	307.139	WVOIOCFJFFVQBM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-041747
O=C1Nc2cc(sc2CCC1I)C	SCHEMBL19037364	307.151	DKWCXVPGIIBPJC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041748
C1CCN2C(=NN=N2)C(C1)C(=O)NC3CCC(CC3)C(=O)O	PC-id_164688249	307.164	QDFARKDBLUTRIB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041749
CCOC(=O)CC1(CC1)CC2N3C=CC(=C3)CCOCCO2	PC-id_164899331	307.178	PYHMXAUKNHREON-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-041750
Brc1c2-c(cc(C(C)C)ccc2)c(c1)C(=O)OC	PC-id_14293215	307.182	DIFJPUZKFMRIQO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-041751
C1CCC2=NC=C(N2CC1)C(=O)NCC[C@@]3(CCCOC3)O	PC-id_164640155,ZINC22_622127947	307.19	KVLNCHQXZKJRKL-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041752
CC1=C(NC2=C1C(N(CCC2)CCN3CCOCC3)O)C=O	PC-id_163707985	307.19	KGSNFXDMHMZVGD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041753
IC1CNc2c(CC1)c(sc2C)C	SCHEMBL19031635	307.194	SDRMCSGXIZIVLL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041754
ICCN1CCCc2c(C1)ccs2	EMOLS-id_96314141	307.194	DYMOWNUREUPVRS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041755
CC(C)(C)C(C1=NC(=C2N1CCCNC2)C(=O)N)C(=O)NC	PC-id_153935259	307.201	KMMFEMWWXCONHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041757
BrCCCCOC1COc2c(OC1)csc2	SCHEMBL13701407,PC-id_57838395	307.204	IELNWNFOKJPRFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041758
CN1C[C@H](C[C@H]1CN(C)CC2=NN=C3N2CCCCC3)OC	EMOLS-id_317274322,MCULE-8962191606,PC-id_154757141	307.237	VWHQEJGMBZNWSI-KBPBESRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-041759
CC(C)(C)C(=O)N1CCCC2=NN([N+](=C2CC1)C(C)(C)C)C	PC-id_153468124	307.249	ADPVTUGQEBDYON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041760
c1ccc2-c(c(c(=O)o2)C=C2c3c(ccc(c3)F)NC2=O)cc1	PC-id_87504644,SCHEMBL3283688	307.275	JSZSZFUGGHABBA-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-041761
Fc1cc2/C(=C/c3c4-c(oc3=O)ccccc4)/C(=O)Nc2cc1	PC-id_59301670,SCHEMBL3283685	307.275	JSZSZFUGGHABBA-LCYFTJDESA-N	00000010100000100110000000001010000000000000000000000000	31-01-041762
c1(NC(=O)C(F)(F)F)sc2c(CCCCC2)c1C(=O)O	PC-id_7098861,ZINC22_4099967,MCULE-9406936356,SCHEMBL4140828,EMOLS-id_6256105,SPECS-id_AN-584/43292775	307.289	OBUFCAALNYXVJA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041763
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CCC(F)(F)F	PC-id_90625515	307.292	IZCGXHUFXXYPAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041764
c1(ccc2NC(=O)/C(=Cc3cc(c4-c3ccccc4)F)/c2c1)F	PC-id_52944383,SCHEMBL3283720,BindingDB_PC-id_52944383,CHEMBL1257921	307.294	UAPISUASGFYDRE-PXNMLYILSA-N	00000010100000100110000000001010000000000000000000000000	31-01-041765
Fc1c2-c(c(C=C3c4c(NC3=O)ccc(F)c4)c1)ccccc2	PC-id_68580607,SCHEMBL3283724	307.294	UAPISUASGFYDRE-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-041766
Fc1c2-c(c(/C=C/3c4c(NC3=O)ccc(F)c4)c1)ccccc2	PC-id_73952819	307.294	UAPISUASGFYDRE-LZYBPNLTSA-N	00000010100000100110000000001010000000000000000000000000	31-01-041767
Fc1c(/C=C/2c3c(NC2=O)ccc(F)c3)cc2-c1ccccc2	PC-id_59301657,SCHEMBL3284117	307.294	JZDYBXWNXYSDQF-CXUHLZMHSA-N	00000010100000100110000000001010000000000000000000000000	31-01-041768
Fc1c(C=C2c3c(NC2=O)ccc(F)c3)cc2-c1ccccc2	PC-id_68580127	307.294	JZDYBXWNXYSDQF-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-041769
Fc1c(/C=C/c3c(NC2=O)ccc(F)c3)cc2-c1ccccc2	SCHEMBL3282512,PC-id_68580125	307.294	JZDYBXWNXYSDQF-SXGWCWSVSA-N	00000010100000100110000000001010000000000000000000000000	31-01-041770
c1(ccc(c(OC)c1F)F)C(=O)N1CCCn2cncc2C1	MCULE-2925453276,PC-id_56885533,EMOLS-id_43071279,ZINC22_72129478	307.295	HBVJEIASTDFJMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041771
Fc1ccc(c(c1C(=O)N1CCCc2c(C1)cnn2C)F)O	EMOLS-id_101678189	307.295	HLFIJMRLYXVNIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041772
Fc1cc(F)c(cc1NC(=O)c1n[nH]c2c1CCCCC2)O	EMOLS-id_319205352	307.295	MCVPBDPKMISGTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041773
Fc1cc(NC(=O)c2cnc3n2CCCCC3)c(c(c1)F)O	EMOLS-id_258109764,MCULE-3287393802	307.295	QQIXPRHQIMWAFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041774
Fc1cc(NC(=O)c2n[nH]c3c2CCCCC3)c(c(c1)F)O	EMOLS-id_316549239	307.295	UAILZIYYJKRLHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041775
O=C(c1ccc(c(c1F)O)F)N1CCCc2c(C1)cnn2C	EMOLS-id_319700802	307.295	JVNVYXUHHWOGGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041776
O=C(c1cc(F)c(c(c1)F)O)N1CCCc2c(C1)cnn2C	EMOLS-id_101673065	307.295	BKKZCIYBBLYLPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041777
O=C(c1ccn(n1)C1CC1(F)F)N1CCCc2c(C1)cco2	EMOLS-id_320196426,MCULE-3820842716	307.295	SGANUWQSYDODNM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-041778
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncnc(c1)C(F)F	EMOLS-id_320158883,MCULE-9455887486	307.299	YOPQIVFHCSFKIZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-041779
Cn1ncc2c1CCCN(C(=O)c1cc(C(F)F)ncn1)C2	EMOLS-id_316945338,MCULE-4093227173,PC-id_136565393,ZINC22_822605505	307.299	PGSUIMRXWMGMAX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-041780
Fc1ccc(c(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)F	EMOLS-id_318955766	307.299	LJLOSWOAWYBRIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041781
Fc1cccc(F)c1C(=O)NCc1nnc2CCNCCn12	PC-id_118759464,EMOLS-id_68896105,MCULE-5913191656,ZINC22_299787624	307.299	PWHHWHXQXQHCCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041782
O=C(c1cc(C)c(cc1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102182538	307.299	CACHWVNMRAFBLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041783
O=C(c1ccn(n1)C1CC1(F)F)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319548171	307.299	JOUPRGRCIUFUOI-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-041784
O=C(c1ccnn1C1CC1(F)F)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319850383,MCULE-4716953709	307.299	RPHRVPNBFBCUAM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-041785
O=C(c1c(F)ccc(c1F)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102181023	307.299	WVAJAVABGMELRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041786
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc(c(c1)F)F	EMOLS-id_319244921	307.299	NLGRICWLBOUQAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041787
O=C(N1CCCn2c(C1)cc(n2)N)Nc1c(F)cccc1F	EMOLS-id_318912301	307.299	UVASQNOSSABQOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041788
O=C(NCc1nnc2n1CCCCC2)c1ncc(F)cc1F	MCULE-1425970897,EMOLS-id_313146658,ZINC22_191899770	307.299	WSHMKRYCVIERMS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-041789
COc1noc(c1)CCC(=O)N1CCc2n[nH]c(=O)n2CC1	MCULE-8951301485,PC-id_91910595,EMOLS-id_50589913	307.305	KWVGHMZPKFODFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041790
O=C1N(CC(=O)N(c2nc(n(c12)C)N(C(=O)C)C(=O)C)C)C	PC-id_614103	307.305	AKTHYGHBDXVBMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041791
COc1nscc1NC(=O)c1coc2c1C(=O)NCCC2	EMOLS-id_319833695	307.325	BOJRCKPUFALUGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041792
[O-]C(=O)c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_7716191	307.327	JNODLLRVJZKRNN-GXDHUFHOSA-M	00000000100000110101000000000010000000000000000000000000	31-01-041793
[O-]C(=O)c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_78531276	307.327	JNODLLRVJZKRNN-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-041794
CCOC(=O)N1CCc2c(CC1)cc(s2)CC(F)(F)F	PC-id_90296567,SCHEMBL15894787	307.332	DSTFBBCWDSSILY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041795
Nc1ncc(c(n1)Sc1nnc2n1CCCCC2)[N+](=O)[O-]	PC-id_108143276	307.332	WRRIKROVRUMOBS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-041796
O=C(c1cc2c(s1)CCCCC2)NCC(C(F)(F)F)O	PC-id_103726348	307.332	PMZIWIIWVHPNKY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041797
s1c2CCCCCCc2cc1C(=O)NOCC(F)(F)F	PC-id_81341162	307.332	QOOHPFQBPBITMB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041798
S(c1n2CCCCCc2nn1)c1ncnc(N)c1[N+](=O)[O-]	PC-id_80869894	307.332	JCCKZLPTZFZWQZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-041799
S(c1n2CCCCCc2nn1)c1nc(N)c([N+](=O)[O-])cn1	PC-id_60420427	307.332	FFKFGDXSWPHCOL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-041800
CC1CN(Cc2ccccc2OC(F)F)Cc2c(C1)[nH]nc2	EMOLS-id_319201325	307.338	SDQAFPGIFOETKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041801
COCc1ncn2c1CN(Cc1ccc(F)c(F)c1)CCC2	ZINC22_2055713360,EMOLS-id_313725401	307.338	DUYYKJUVVVPURW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041802
Fc1ccc(c(c1)F)C(CN1CCCc2c(C1)cnn2C)O	EMOLS-id_318448535	307.338	FZWGSCKBQDTWAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041803
NC(=N)C(C(F)(F)F)CSc1nnc2n1CCCCC2	PC-id_103371393	307.338	UBMVOXJIKZCTRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041804
OC(c1ccc(c(c1)F)F)CN1CCCc2c(C1)cnn2C	EMOLS-id_318566456	307.338	FGFSUQFNIIMLMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041805
OC(c1c(F)cccc1F)CN1CCCc2c(C1)cnn2C	EMOLS-id_318481233	307.338	TYXGOUAZTVZSRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041806
CC(c1c(F)cncc1F)NCc1nnc2n1CCCCC2	MCULE-7223333551,EMOLS-id_318221931	307.342	CRSOBSSAXZAAII-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-041807
CCOC(=O)C1(CCCCn2c1ccc2C=O)C(=O)OCC	PC-id_102048222	307.342	VHKUACCDBYRYIQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041808
Fc1cc(F)cc(c1)C(CNC1CCn2c(CC1)nnn2)C	EMOLS-id_318148761,MCULE-3820619635	307.342	ZMXFXRHRUJBNEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041809
O(C(C)(C)C)C(=O)n1c2CCCCC(=O)c2c(c1)C(=O)OC	PC-id_60094089	307.342	AQDVRURICHDPLW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041810
S(c1n2CCCCCc2nn1)c1c(cccc1F)C(=O)O	PC-id_62648745	307.343	OHPLLNKAKNHDFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041811
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COCc1nnc2n1CCC(CC2)NC(=O)c1cscn1	MCULE-8778139608,PC-id_91922618,EMOLS-id_50590391	307.371	JFDOLBWRDVXISD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041905
O=c1scc([nH]1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_100045794	307.371	KGSAQNNKMVTMAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041906
O=C(Cn1ncn(c1=O)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_98996594	307.371	XXGUIOQECCOJBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041907
O=C(N1CCCCc2c1sc(n2)C)Cn1ncn(c1=O)C	EMOLS-id_318940612	307.371	JACNDNGRHXEVSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041908
OC(=O)c1cnn(c1CSc1nnc2n1CCCCC2)C	PC-id_116629891	307.371	ZHUZLOMEFCDHNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041909
O=S(=O)(NCc1nnc2CCNCCn12)c1ccccc1	PC-id_118759570,MCULE-9887874063,ZINC22_299785570,EMOLS-id_68901072	307.371	MFGBYLXPEFLHQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041910
s1c(c(Cn2nc3n(CCCCC3)c2=O)cc1)C(=O)NN	PC-id_63638880	307.371	KEZVDBODWCTTTC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-041911
s1c(Cn2nc3n(CCCCC3)c2=O)ccc1C(=O)NN	PC-id_63578865	307.371	QQRMCXRGQJNCPU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-041912
S(c1n2CCCCCc2nn1)c1n(nc(c1C(=O)O)C)C	PC-id_63752301	307.371	NEXQJEPXIHGZMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041913
S(c1n2CCCCCc2nn1)Cc1c(occ1)C(=O)NN	PC-id_63581345	307.371	KPJCTMRMEWJPCT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-041914
S(c1n2CCCCCc2nn1)Cc1occc1C(=O)NN	PC-id_63581528	307.371	PBGVPZUBIBTYRI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-041915
S(c1n2CCCCCc2nn1)Cc1oc(cc1)C(=O)NN	PC-id_63581529	307.371	IVMTUBLZCZMVAY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-041916
S(c1n2CCCCCc2nn1)Cc1occ(c1)C(=O)NN	PC-id_63581530	307.371	FFRYQACWXADEAW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-041917
S(c1n2CCCCCc2nn1)CC(=O)Nc1onc(c1)C	PC-id_24633702	307.371	MJSCDHJOCQWGHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041918
C1Cc2c(CNC1CCCP(=S)(O)O)nc(s2)N	PC-id_88141535,SCHEMBL7428928	307.373	RVNAYNQGNRVEFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041919
Nc1nc2c(s1)CCN(CC2)CCCP(=S)(O)O	PC-id_18756965,SCHEMBL5059578	307.373	ZPALSIAGUVUIRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041920
Cc1nnc(NC(=O)NCc2nnc3n2CCCCC3)s1	ZINC22_43409113,EMOLS-id_31944835,MCULE-3816768286,PC-id_45821093	307.375	OMLKVODMFGAQGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041921
CCc1cnc(s1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102027637	307.375	MRMZTYIMUQJLTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041922
CNc1snc(c1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102168109	307.375	QVBRINRYGPVAET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041923
CN(C(=O)NC1CCn2c(CC1)nnn2)Cc1nccs1	EMOLS-id_318785526	307.375	ZDPNHLLVZRZIJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041924
O=C(N1CCCn2c(C1)cnn2)Nc1snc(n1)C(C)C	EMOLS-id_318855952	307.375	QTKBEFBESMSADN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041925
O=C(NC1CCn2c(CC1)nnn2)NCc1scc(n1)C	EMOLS-id_319431825	307.375	OXYXTCKEWYPHGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041926
O=C(NC1CCn2c(CC1)nnn2)NCCc1ncsc1	MCULE-3262698620,EMOLS-id_319970063	307.375	YQJOKVZCJDBZKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041927
O=C(Nc1sc(c(n1)C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102029636	307.375	ASCXVHZKJVXKCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041928
O=C(Nc1sc(nc1C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102001665	307.375	JCCITWKRTFFICO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041929
S(c1n2CCCCCc2nn1)c1ncnc(NN)c1OC	PC-id_81733420	307.375	OUBYFKHHQVEDRQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-041930
S(c1n2CCCCCc2nn1)c1nc(nc(OC)n1)NC	PC-id_80869729	307.375	BBZBAWXLLFCMST-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-041931
S(c1n2CCCCCc2nn1)c1nc(OCC)nc(n1)N	PC-id_80870160	307.375	SJMPBKJGBKVEMG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-041932
FC1(F)CC(C1)S(=O)(=O)N1CCCc2c(C1)ccs2	MCULE-4525540413,EMOLS-id_320156617	307.38	OAGUIXCGGHSCSI-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-041933
CCOC(=O)c1cc2c(s1)C/C(=CC(=C/C=C)F)/NCC2	PC-id_137388791,SCHEMBL20619396	307.383	QHQSGOKSLWSLNL-ZNMWUROVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041934
CCCOC(=O)C1CCCCn2c1c(cc2)C(=O)OCCC	PC-id_70536112,SCHEMBL11201449	307.385	JWSLTBYGWFQNJP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041935
CC(OC(=O)C1CCCCn2c1c(cc2)C(=O)OC(C)C)C	PC-id_70534483,SCHEMBL11195506	307.385	AWZIVVTWGFSWIP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041936
CCOC(=O)CCc1c2CCCCCc2[nH]c1C(=O)OCC	SCHEMBL6696149,PC-id_60113710	307.385	CRKYFTBWSUFKOH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-041937
c12c(=Nc3ccc(cc3)C)cccc(OCC)c1c(oc2C)C	PC-id_929106,MCULE-6548759203	307.386	XZQZCBJAGXIOFY-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-041938
c12c(=Nc3cccc(C)c3)cccc(OCC)c1c(oc2C)C	MCULE-8319159055,PC-id_929089,CNP0332517	307.386	XJENMSKNVOZWMI-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-041939
c12c(OCC)cccc(=O)c1c(n(Cc1ccccc1)c2C)C	EMOLS-id_1421363,ZINC22_4027328,BAS-03160956,CHEMBL1350311,CNP0262122,ChEMBL-DNDi_CHEMBL1350311,MCULE-4274966535,CK1536564,STOCK1N-15293,CoCoCo_281163,PC-id_3145884	307.386	ZAKGUTRIBHLYLU-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-041940
CC(c1cccc(c1Sc1nnc2n1CCCCC2)F)O	PC-id_108253993	307.386	GPKOUIZVKNYMGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041941
C[C@H](c1cccc(c1Sc1nnc2n1CCCCC2)F)O	PC-id_108253992	307.386	GPKOUIZVKNYMGJ-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041942
C[C@@H](c1cccc(c1Sc1nnc2n1CCCCC2)F)O	PC-id_108253994	307.386	GPKOUIZVKNYMGJ-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-041943
CCOc1ccc/c(=Nc2ccc(cc2)C)/c2c1c(C)oc2C	EMOLS-id_26366620,STOCK5S-43853,ZINC22_5316967	307.386	XZQZCBJAGXIOFY-HEHNFIMWSA-N	00000000100000110110000000000010000000000000000000000000	31-01-041944
CCOc1ccc/c(=Nc2cccc(c2)C)/c2c1c(C)oc2C	ZINC22_12658060,STOCK1N-14139,EMOLS-id_4788877	307.386	XJENMSKNVOZWMI-HEHNFIMWSA-N	00000000100000110110000000000010000000000000000000000000	31-01-041945
COc1ccc(CSc2nnc3n2CCCCC3)cc1F	MCULE-3397794763,PC-id_8903022,EMOLS-id_3582610,ZINC22_7787280,CoCoCo_3081810	307.386	GXNHLPRGANYZGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041946
Fc1ccc(cc1)C(CSc1nnc2n1CCCCC2)O	PC-id_110883405	307.386	IRDMYGNALHEUMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041947
S(c1n2CCCCCc2nn1)c1c([C@@H](O)C)cc(F)cc1	PC-id_63813688	307.386	MEGCNRZYRXEYIC-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-041948
S(c1n2CCCCCc2nn1)c1c([C@H](O)C)cc(F)cc1	PC-id_78951715	307.386	MEGCNRZYRXEYIC-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041949
S(c1n2CCCCCc2nn1)c1c([C@H](O)C)c(F)ccc1	PC-id_63814744	307.386	XFYFQNPHULPMDZ-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041950
S(c1n2CCCCCc2nn1)c1c([C@@H](O)C)c(F)ccc1	PC-id_78951717	307.386	XFYFQNPHULPMDZ-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-041951
S(c1n2CCCCCc2nn1)c1c(C(O)C)cc(F)cc1	PC-id_63814743	307.386	MEGCNRZYRXEYIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041952
S(c1n2CCCCCc2nn1)c1c(C(O)C)c(F)ccc1	PC-id_63814142	307.386	XFYFQNPHULPMDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041953
S(c1n2CCCCCc2nn1)c1c(F)cc([C@H](O)C)cc1	PC-id_63813687	307.386	LXPDVYRBAUOAAB-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041954
S(c1n2CCCCCc2nn1)c1c(F)cc([C@@H](O)C)cc1	PC-id_78951713	307.386	LXPDVYRBAUOAAB-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-041955
S(c1n2CCCCCc2nn1)c1c(F)cc(C(O)C)cc1	PC-id_63813840	307.386	LXPDVYRBAUOAAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041956
S(c1n2CCCCCc2nn1)CCOc1c(F)cccc1	PC-id_60359113	307.386	USFJHHCJCAQEBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-041957
c12CN(CCCn1nc(C(CC)O)c2)C(=O)C(=O)C(C)(C)C	PC-id_91780530,EMOLS-id_55661463,MCULE-4778160464	307.388	ZJZKKSSSUPZFCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041958
c1(C(=O)NCCCN2CCOCC2)c2CCCCCc2on1	ZINC22_20160672,PC-id_17254350,TIMTEC411609,EMOLS-id_21980633,MCULE-7499590763	307.388	QSWBWYHMKHLKDC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041959
c1(C(=O)N[C@@H](CC(C)C)C(=O)OC)c2CCCCCc2[nH]n1	EMOLS-id_323253941,MCULE-3598912384	307.388	UVZWOLFWNAAICO-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041960
Cc1c2CCCC[C@@H](CCCCCC(=O)Nc2n[nH]1)C(=O)O	SCHEMBL17365575,PC-id_136980688	307.388	FDFWJWTUMDQASO-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041961
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(C)COC(OC1)(C)C	EMOLS-id_319190473	307.388	XMGDOKHHDVQLHB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041962
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCOCC1CCCO1	EMOLS-id_319773656	307.388	FCMZAQQELGISCV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-041963
CC(C)CCN1CC(Cn2cc(cc2C1=O)C(=O)NO)(C)C	PC-id_87401008,SCHEMBL2524694	307.388	XVVBBLGSQQKMIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041964
CCCCC(=O)N1Cc2cc(cn2CC(C1)(C)C)C(=O)NO	PC-id_144264813	307.388	QAFPSKGROFFUPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041965
CCCCN(C(=O)c1[nH]nc2c1CCCCC2=O)CCOC	PC-id_144418632	307.388	NLZYLKMHDDZDDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041966
CCCC(=O)N1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1	ZINC22_575402793	307.388	CEKIRCDBXRREQH-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041967
CCCC(=O)N1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1	ZINC22_575402794	307.388	CEKIRCDBXRREQH-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041968
CC(C)C(=O)N1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1	ZINC22_575406428	307.388	XRYPEMCZODAONU-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041969
CC(C)C(=O)N1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1	ZINC22_575406440	307.388	XRYPEMCZODAONU-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041970
CC(C)C(=O)N1CC(Cn2cccc2C1)OCC(=O)N(C)C	EMOLS-id_55751051	307.388	XRYPEMCZODAONU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041971
CCCC(=O)N1CC(Cn2cccc2C1)OCC(=O)N(C)C	EMOLS-id_55751179	307.388	CEKIRCDBXRREQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041972
CC[C@H](C)[C@H](NC(=O)c1n[nH]c2CCCCCc12)C(=O)OC	MCULE-6496792461,EMOLS-id_323254198	307.388	FYROREYDOBMQNN-GWCFXTLKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041973
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)C(=O)C(C)(C)C)C2	PC-id_100063025,ZINC22_220675132	307.388	ZJZKKSSSUPZFCR-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041974
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)C(=O)C(C)(C)C)C2	ZINC22_220675193,PC-id_100063028	307.388	ZJZKKSSSUPZFCR-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041975
CCCn1nnc2c1CCC(CCC2)OC(=O)CCC(=O)C	PC-id_58435585,SCHEMBL9917624	307.388	HCNVEVSKIKXJFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041976
C[C@@H]([C@H]1COC(O1)(C)C)NC(=O)c1n[nH]c2c1CCCCC2	MCULE-6784219420,EMOLS-id_320233704	307.388	RJSRXMAOKSISEE-GXFFZTMASA-N	00000010100000000101000000000010000000000000000000000000	31-01-041977
C[C@@H](CN1CCN(CC1)C(=O)c1noc2c1CCCCC2)O	EMOLS-id_111936130	307.388	HVEVLUIKGCDHEY-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041978
CCOC1(CCOCC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-9416824469,EMOLS-id_320289583	307.388	FZUREMCOIYFKEX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041979
CCOCC(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1	PC-id_97389191,ZINC22_96066856	307.388	UHEJLURFKIKUEH-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-041980
CCOCC(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1	PC-id_97389192,ZINC22_96066857	307.388	UHEJLURFKIKUEH-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-041981
CCOCC(=O)N1CC(COCC2CC2)Cn2ccnc2C1	EMOLS-id_46160473	307.388	UHEJLURFKIKUEH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-041982
CCOC(=O)c1nn(c2c1CCCCC2=O)CCCN(C)C	PC-id_68295084,SCHEMBL12498790	307.388	SJHVPTKINFZFLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-041983
CC(=O)N1Cc2cncn2C[C@@H](COCC2CCOCC2)C1	PC-id_97485196,ZINC22_96218148	307.388	NDTDWVYFIJKLME-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041984
CC(=O)N1Cc2cncn2C[C@H](COCC2CCOCC2)C1	ZINC22_96218147,PC-id_97485195	307.388	NDTDWVYFIJKLME-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041985
CC(=O)N1CC(COCC2CCOCC2)Cn2cncc2C1	EMOLS-id_49236691	307.388	NDTDWVYFIJKLME-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041986
CN(CC1(O)CCN(C1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_319528500	307.388	UNIBFBZGYWMGRN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-041987
COCC1CCn2nccc2CN1C(=O)CC1CCOCC1	EMOLS-id_313820708	307.388	OGPAVUCCGSKZOM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041988
COCC1(CCOCC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319309159	307.388	KELDMEBQESCESI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041989
COCC1CN(Cc2cncn2C1)C(=O)COC1CCCC1	EMOLS-id_49233167	307.388	GVLDRZICWLHCGU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-041990
COCCC(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1	PC-id_97475165,ZINC22_96207018	307.388	OCPXFZSBXHFVKG-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-041991
COCCC(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1	PC-id_97475166,ZINC22_96207019	307.388	OCPXFZSBXHFVKG-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-041992
COCCC(=O)N1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49229537	307.388	OCPXFZSBXHFVKG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-041993
COC[C@@H]1CCn2nccc2CN1C(=O)CC1CCOCC1	ZINC22_585097628	307.388	OGPAVUCCGSKZOM-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041994
COC[C@H]1CCn2nccc2CN1C(=O)CC1CCOCC1	ZINC22_585097629	307.388	OGPAVUCCGSKZOM-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-041995
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OC1CCC(CC1)(C)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_319161712	307.451	IKXACMTWURXKDA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042365
OC1CCC(CC1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_106121131	307.451	BLXRLVBLTYTJPD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042366
OC1CCCCC1N(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_102635469	307.451	GWCYWVFIBQOZDE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042367
OC1CCCCCC1NC(=O)c1cc2c(s1)CCCCC2	PC-id_104282550	307.451	TYHDWQSNLQWGCO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042368
OC1CN(CCC1C)C(=O)c1sc2c(c1)CCCCCC2	PC-id_103900273	307.451	RWPSQTSYXSLLCB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042369
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OC(C1CCCC1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_86970182	307.451	NPKBIBHMCCVOJE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042371
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OCC1CCCCC1NC(=O)c1cc2c(s1)CCCCC2	PC-id_103860270	307.451	DXXDWZGBIFMBBU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042373
OCC1CCC(CC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_112379273	307.451	AAFJTSOQPLUOEV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042374
OCC1CCCCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_116636237	307.451	HPCOOJSGOLSLKH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042375
OCC1C(C)CCN1C(=O)c1sc2c(c1)CCCCCC2	PC-id_102785177	307.451	QPZNEOVHCAVBDK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042376
OCC1CCC(N(C1)C(=O)c1cc2c(s1)CCCCC2)C	PC-id_109879979	307.451	HTIRMVKDENHCRE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042377
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OCCC1CCN(C1)C(=O)c1sc2c(c1)CCCCCC2	PC-id_115746267	307.451	XXHWIONVIYYIPV-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042379
OCCC1(CNC(=O)c2sc3c(c2)CCCCCC3)CC1	PC-id_114750927	307.451	UQYUNWVWOUTSER-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-042380
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OCCN(C(=O)c1sc2c(c1)CCCCCC2)C1CCC1	PC-id_102684147	307.451	PTNAWXMMMGFQPS-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-042382
O[C@@H]1CCCC[C@H]1NC(=O)c1sc2c(c1)CCCCCC2	PC-id_104927835	307.451	WRXIHJQNZAEZEJ-ZIAGYGMSSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042383
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s1c2c(CCCCC2)cc1C(=O)N1CC(CCC1)CCO	PC-id_62372666	307.451	VVYNUJCUAFMNGM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042387
s1c2c(CCCCC2)cc1C(=O)NCC1C(CCC1)CO	PC-id_65924978	307.451	KPGSIOLWJLLKNP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042388
s1c2c(CCCCC2)cc1C(=O)NCC1C(O)CCCC1	PC-id_64929464	307.451	VROZAZXMRJMWFL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042389
s1c2c(CCCCC2)cc1C(=O)NCC1(O)CCCCC1	PC-id_64866552	307.451	VTKVPDLAWFVLHM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042390
s1c2c(CCCCCC2)cc1C(=O)N1CC(CCC1)CO	PC-id_43403342	307.451	NZEQEYKWNUEEDY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042391
s1c2c(CCCCCC2)cc1C(=O)N1C(CCCC1)CO	PC-id_43421282	307.451	SQDAIPUPKZHOLU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042392
s1c2c(CCCCCC2)cc1C(=O)N1CCC(CC1)CO	PC-id_60957499	307.451	LGMNVDOWRXMZGS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042393
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s1c2c(CCCCCC2)cc1C(=O)NC1C(O)CCCC1	PC-id_62366470	307.451	WRXIHJQNZAEZEJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042397
s1c2c(CCCCCC2)cc1C(=O)N(CC1CC(O)C1)C	PC-id_65995341	307.451	RKZACFLSAJMRPT-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-042398
s1c2c(CCCCCC2)cc1C(=O)NCC1C(O)CCC1	PC-id_65833015	307.451	XFAAVVIUNWULIH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042399
s1c2c(CCCCCC2)cc1C(=O)NCC1(O)CCCC1	PC-id_64178068	307.451	RCFIKHUOMNWZMM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042400
s1c(C(=O)N2C(CCC2)CCCO)cc2c1CCCCC2	PC-id_62467705	307.451	BNNSFLBTCQWCIM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042401
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s1c(C(=O)N2CC(O)(C2)CCC)cc2c1CCCCCC2	PC-id_65928086	307.451	KODCWMJZFGHJEB-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-042403
s1c(C(=O)N2CC(O)(C2)C(C)C)cc2c1CCCCCC2	PC-id_65941832	307.451	ILXJUCYEIDHOCW-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-042404
s1c(C(=O)N(C2CCCC2)CCO)cc2CCCCCc12	PC-id_61583370	307.451	SLUKQWFULWYUCT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042405
s1c(C(=O)NC2(CCCC2)CO)cc2CCCCCCc12	PC-id_62519642	307.451	ZFMFFDWBGZHUHV-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042406
s1c(C(=O)NC2(CCCCC2)CO)cc2CCCCCc12	PC-id_62522516	307.451	WCLPRYFNBYLXLJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042407
CC1NCCC1C(=O)NCCc1nc2c(s1)CCCCC2	MCULE-2964839700,EMOLS-id_319889841	307.454	NUBAQGDYSLMRMZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042408
CCC1CCCCN1C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825200	307.454	ZTJQDUCZNPOFQR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042409
CCC1CCCN(C1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825060	307.454	BBUJWPWPEFQVFU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042410
C[C@@H]1NCC[C@@H](C1)C(=O)Nc1sc2c(n1)CCCCCC2	PC-id_120624907	307.454	AJPZOIVHWPQBPQ-RYUDHWBXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042411
C[C@@H](NC(=O)/C=C/CN(C)C)c1nc2c(s1)CCCCC2	ZINC22_1875376966	307.454	OHQFHZMWMCDMQA-OFFHKIPUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042412
C[C@H](NC(=O)/C=C/CN(C)C)c1nc2c(s1)CCCCC2	ZINC22_1875376967	307.454	OHQFHZMWMCDMQA-PMDBQALLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042413
CN1CCC(CC1)(C)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_319856831,MCULE-7757109757	307.454	GWHMCOAQAUSIEK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042414
CN1CC[C@H](C[C@H]1C)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319196011	307.454	RILLCYQQMOKXMF-DGCLKSJQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042415
CNC1CC(C1)C(=O)NCCc1nc2c(s1)CCCCC2	MCULE-7100810462,EMOLS-id_320170727	307.454	YHHHOJMPKLMCQV-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-042416
CNC1C(=O)N(CCc2c1scn2)CC1CCCCCC1	SCHEMBL14171126,PC-id_23554850	307.454	IGFFWINJBXDXPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042417
CN(CC=CC(=O)NC(c1nc2c(s1)CCCCC2)C)C	MCULE-5861699346	307.454	OHQFHZMWMCDMQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042418
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CS[C@@H]1CCCC[C@H]1NC(=O)c1cnc2n1CCCCC2	MCULE-7218010230,ZINC22_598741795,PC-id_136584134,EMOLS-id_316952835	307.454	OHQOQMGVUQJYOX-TZMCWYRMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042420
NC1CC(C1)CC(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_320106512,MCULE-6684032396	307.454	UKUHCCQJYYPKBE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-042421
NC1CCCC(C1)C(=O)Nc1sc2c(n1)CCCCCC2	PC-id_119743807	307.454	BKYAWHCBQPSEIY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042422
NC[C@H]1CCC[C@H]1C(=O)Nc1sc2c(n1)CCCCCC2	PC-id_121785283	307.454	LYNWIMZPAUORLU-VXGBXAGGSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042423
NC[C@H]1CCC[C@@H]1C(=O)NCc1nc2c(s1)CCCCC2	ZINC22_2325774871	307.454	AMQMVZAFSFWCFX-NEPJUHHUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042424
NC[C@@H]1CCC[C@H]1C(=O)NCc1nc2c(s1)CCCCC2	ZINC22_2325774872	307.454	AMQMVZAFSFWCFX-NWDGAFQWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042425
NC[C@@H]1CCC[C@@H]1C(=O)NCc1nc2c(s1)CCCCC2	ZINC22_2325774873	307.454	AMQMVZAFSFWCFX-RYUDHWBXSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042426
NC[C@H]1CCC[C@H]1C(=O)NCc1nc2c(s1)CCCCC2	ZINC22_2325774874	307.454	AMQMVZAFSFWCFX-VXGBXAGGSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042427
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O=C(c1cc2c(s1)CCCCC2)NCCN1CCNCC1	PC-id_43600305,MCULE-7302079521,EMOLS-id_301211275	307.454	NMPNEJLVELUZRC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042429
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s1c2c(CCCCC2)cc1C(=O)N1C(CN(CC1)C)CN	PC-id_80504133	307.454	HXKOAPACPPVANW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042444
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CCC(CCCSc1nnc2n1CCCCC2)(C#N)NC	PC-id_106805181	307.458	PMZDNSPVFCVUDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042446
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s1c2c(CCCCC2)cc1C(=O)NC1CC[NH+](CC1)CC	PC-id_27233139	307.474	ZJJKYHZZLMTZSI-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-042462
s1c2c(CCCCC2)cc1C(=O)NCC[NH+]1CCCCC1	PC-id_27233509	307.474	CAFLRHPJTWUCNI-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-042463
s1c2c(CCCCCC2)cc1C(=O)NC1CC[NH+](CC1)C	PC-id_27233047	307.474	GBFRLRMGOOIFGI-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-042464
NNC(c1cc2c(s1)CCCCC2)Cc1csc(n1)C	PC-id_105316077	307.477	MJSVYOPDBKBMEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042465
NNC(c1cc2c(s1)CCCCC2)Cc1scc(n1)C	PC-id_105326519	307.477	YAPAFXDXFMPNMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042466
CC(C(C(C)C)CNC(=O)c1cc2c(s1)CCCCC2)C	PC-id_102914843	307.494	KLKOMQCTVUZEKQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042467
CCCNC(c1cc2c(s1)CCCCC2)C1CCCOC1	PC-id_107138714	307.494	PQRJXPIUCNTZHQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042468
CCCNC(c1cc2c(s1)CCCCC2)C1CCOCC1	PC-id_115855829	307.494	KIBOBZGUSXGNJE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042469
CCNC(c1cc2c(s1)CCCCC2)CC1CCOCC1	PC-id_115846589	307.494	VQXAFLRIONPAMY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042470
CCNC(c1cc2c(s1)CCCCC2)CCC1CCCO1	PC-id_104993492	307.494	NYBOEKARRFMABW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042471
CNC(c1cc2c(s1)CCCCC2)CCCC1CCCO1	PC-id_104993320	307.494	SHJIZRSLQOBBKD-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042472
NC(C1CC(OC1(C)C)(C)C)c1cc2c(s1)CCCCC2	PC-id_105053102	307.494	SLNWSZOBANDVLE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042473
s1c2c(CCCCCCCCCC2)c(c1N)C(=O)C(C)C	PC-id_65355392	307.494	KPOXMFDBLIHABO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042474
s1c(nc2c1CCCCCC2)C(N1CCNCC1)CCC	PC-id_63342603	307.497	GHCBNENPXWGYBZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042475
CCCCC(CC(c1cc2c(s1)CCCCC2)NC)CC	PC-id_115806487	307.537	HSWXNELWJBNVEC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042476
CCCCCCC(c1cc2c(s1)CCCCC2)NCCC	PC-id_115833343	307.537	SFISYOJEGWZNPW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042477
CCCCCCCC(c1cc2c(s1)CCCCC2)NCC	PC-id_115831922	307.537	TUWRSVYPISSSLD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042478
CCCCCCCCC(c1cc2c(s1)CCCCC2)NC	PC-id_115835616	307.537	MQZWJDXOQRUSGD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042479
CCCCCCCCCC(c1cc2c(s1)CCCCC2)N	PC-id_115831830	307.537	CQELEVCCAMNAKQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042480
CCCNC(c1cc2c(s1)CCCCC2)CC(CC)CC	PC-id_105028097	307.537	WHEVDQCHIBQKSL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042481
CCCNC(c1cc2c(s1)CCCCC2)CCCC(C)C	PC-id_105028673	307.537	RBZNTMGODLXUQV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042482
CCCNC(c1cc2c(s1)CCCCC2)CC(CCC)C	PC-id_115845353	307.537	NUSVAJDZUVKYGF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042483
CCCNC(c1cc2c(s1)CCCCC2)CCC(C)(C)C	PC-id_115849851	307.537	QMDJHUQHAFODOY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042484
CNCC(c1c(CCC(CC)C)sc2c1CCCCC2)C	PC-id_142603195	307.537	WKEWITOZMHNPTB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042485
CCOC(=O)Cn1c2-c(c(c1=O)C(=O)C)ccc(cc2)Cl	PC-id_12852681,SCHEMBL11281599	307.729	FOAKAXUGYMKBCU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042486
Clc1cc(oc1)C(=O)c1n2c(C(CCCC2)C(=O)O)cc1	PC-id_20484113,SCHEMBL11201156	307.729	WKOODVCBBZDMJW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-042487
Clc1c(occ1)C(=O)c1n2c(C(CCCC2)C(=O)O)cc1	SCHEMBL11205195,PC-id_20484064	307.729	IPSNTHXUPVCKIN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-042488
Clc1oc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2)cc1	PC-id_20483799,SCHEMBL11200627	307.729	YMBLLEXBUBNWEW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-042489
Clc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)O	EMOLS-id_102166330	307.736	XXYILLLWYQUEEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042490
Clc1ccc(c(c1)O)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166336	307.736	NUFZVXVNPZNUPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042491
O=C(c1ccc(c(c1)Cl)O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166339	307.736	AWCQZCVRNQUAEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042492
O=C(Nc1ccc(cn1)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102022696	307.739	UCNDJHXQVDCDSW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042493
CCOC(=O)c1c(Cl)c(c2-c1ccc(cc2)[2H])C(=O)OCC	PC-id_101072530	307.747	SYHKOSYNMHYLPX-UICOGKGYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042494
c1(C(=O)Nc2ccc(cc2Cl)F)c2CCCCCc2[nH]n1	MCULE-8278110014,EMOLS-id_335005104	307.751	LKWOLESDCLBCIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042495
c1(C(=O)Nc2ccc(c(Cl)c2)F)c2CCCCCc2[nH]n1	EMOLS-id_323249086,MCULE-9051677470	307.751	YIABDKGSHNKNJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042496
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1Cl)F	EMOLS-id_319347434	307.751	UXGFYUOERVOQOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042497
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1)Cl)F	EMOLS-id_319551051	307.751	SFQHUWNPYBCPBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042498
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1Cl)F	EMOLS-id_320239718,MCULE-6694607011	307.751	YOLUBQYXTGEFFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042499
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1)F)Cl	MCULE-9364729205,EMOLS-id_320131587	307.751	CLTYPTNHANVPRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042500
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(F)cc(c1)Cl	MCULE-4768012643,EMOLS-id_320213423	307.751	ZUYPUJGHVSRHDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042501
c1(C(=O)NCc2cc3n(CCCNC3)n2)cc(cn1C)Cl	MCULE-3202723865,ZINC22_97766482,PC-id_74248344,EMOLS-id_49676112	307.779	FINCYZXDFGMGKV-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-042502
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCn1ncc(c1)Cl	EMOLS-id_319973165,MCULE-7602667772	307.779	YEVKXRXCFJCYBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042503
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(n1ncc(c1)Cl)C	EMOLS-id_319719382	307.779	UYGRCRHVCJCQBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042504
Cc1nn(c(c1Cl)NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_278179418	307.779	XOZBZPKWYDXOQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042505
CCn1ncc(c1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)Cl	EMOLS-id_319819278	307.779	ZLJGSTXWRLBURW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042506
Clc1c[nH]c(c1)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318526928	307.779	MHINERXGTHWITQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-042507
Clc1cn[nH]c1C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319462181	307.779	YKJNJMVHIXWHQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042508
Clc1c(Sc2n3CCCCCc3nn2)ccc(c1)C=O	PC-id_81160476	307.798	QEOFAVZHCSKDTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042531
Clc1[nH]nc(c1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)C	EMOLS-id_278991312	307.779	FFQKMADKANNDIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042509
COc1ccc(cc1Cl)CNC1CCn2c(CC1)nnn2	EMOLS-id_318216409,MCULE-6998193185	307.779	UNAKCGZKJBPONK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042510
COc1ccc(c(c1)Cl)CNC1CCn2c(CC1)nnn2	EMOLS-id_318315708,MCULE-7229213443	307.779	YRHVQJYGGCKBNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042511
COc1ccc(cc1CNC1CCn2c(CC1)nnn2)Cl	MCULE-9103152314,EMOLS-id_318500632	307.779	MLNZDJVFRUVVLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042512
COc1cc(CNC2CCn3c(CC2)nnn3)ccc1Cl	MCULE-7502604423,EMOLS-id_318136946	307.779	PUSBXFSQMMBVMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042513
O=C(c1nn(c(c1Cl)C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_102180126	307.779	PLZQJELIATZYAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042514
Clc1nc(N)nc(c1)N(Cc1nnc2n1CCCCC2)C	GD-id_ZINC52165507	307.782	ZMFMMNGMKPXFTA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-042515
CNc1nc(ncc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_319143420	307.782	HRWLMGYZZGGRCB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-042516
Fc1ccc(CNCc2n[nH]c3c2CCCCC3)c(Cl)c1	MCULE-5355500940,ZINC22_1506417026,EMOLS-id_316225871	307.794	JYDQSWUYOKDYDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042517
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccncc1Cl	EMOLS-id_319004023	307.798	PHNMDVOWAGNOAM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042518
Clc1ccc(cn1)C(=O)Nc1nc2CCCCCc2s1	MCULE-3304376731,EMOLS-id_334602362	307.798	INOGJPCAERCVFE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042519
Clc1cc(ccn1)C(=O)Nc1nc2CCCCCc2s1	MCULE-6164670974,EMOLS-id_334606201	307.798	YEAXFVCQEUITBS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042520
Clc1cccc(NC(=O)c2nc3CCNCCc3s2)c1	ZINC22_306139995,EMOLS-id_50369597	307.798	UGGYGMAMUXIQLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042521
Clc1ccc(nc1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318894590	307.798	QIHCUUUHSKVDAF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042522
Clc1ccc(NC(=O)c2nc3CCNCCc3s2)cc1	PC-id_97442422,EMOLS-id_44303764,ZINC22_96146898	307.798	WSXYTSWJNBGHNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042523
Clc1ccc(nn1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_115608581	307.798	ITLOVJYMMDTLCT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-042524
Clc1ccnc(c1)C(=O)/N=c/1sc2c([nH]1)CCCCC2	GD-id_ZINC21138770	307.798	CTGBRPNFMQVVNB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042525
Clc1ccnc(n1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_108200566	307.798	GZLWIMKDGZYCED-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-042526
Clc1c(c(Sc2n3CCCCCc3nn2)ccc1)C=O	PC-id_63803535	307.798	WTVXRAYDKAITBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042527
Clc1cncc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318876639	307.798	SLKGIRMIWUQVFJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042528
Clc1cnc(cn1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_107595929	307.798	MDFNSHYWDCMMEW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-042529
Clc1cncc(n1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_115599423	307.798	CSCUHNAZJLUGJH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-042530
Clc1nccc(n1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_116798601	307.798	QWQQUMASVUWGJN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-042532
Clc1ncnc(c1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_108182544	307.798	QCHPWJHHDJJZKP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-042533
O=Cc1ccc(cc1Cl)Sc1nnc2n1CCCCC2	PC-id_108300524	307.798	VAUMSQYNTSVDMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042534
O=Cc1cccc(c1Sc1nnc2n1CCCCC2)Cl	PC-id_108343815	307.798	MGCSFIBYNABHDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042535
O=Cc1ccc(cc1Sc1nnc2n1CCCCC2)Cl	PC-id_114863611	307.798	RUIXDTUMWZGYLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042536
O=Cc1cc(Cl)ccc1Sc1nnc2n1CCCCC2	PC-id_114863610	307.798	QAEJVZXPALPWQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042537
ClCCCCN1CCS(=O)(=O)c2c(C1=O)ccs2	PC-id_19881056,SCHEMBL9039783	307.817	UTTAGLBCLKPTNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042538
Clc1c(n(nc1CC)C)Cn1cc2C(O)CCCCc2c1	PC-id_83209642	307.818	PJBSSRWSHOAGGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042539
Clc1c(n(nc1C)CC)Cn1cc2C(O)CCCCc2c1	PC-id_83210589	307.818	GEXYDLBYXMTXBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042540
OC(c1cc2c(s1)CCCCC2)Cc1ccncc1Cl	PC-id_115985074	307.838	XTNCSRRSOZXHGL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-042541
Clc1ccc(CSCc2nnc3CCCCCn23)cc1	EMOLS-id_324810771,MCULE-8288508191	307.842	RFCVUAXBCCQPJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042542
CC1CC2=C(CCN1I)SC(=N2)C	PC-id_147981252	307.984	ITGMTCKQPHRMON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042543
CCOC(=O)C1=NN2CCC(COC2=C1)OCC(F)(F)F	PC-id_153545577	308.098	QSUGGCMUOSVENG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042544
CC1=C(C2=CC=CC=CC2=C1C(=O)C3=CC=CO3)CCC(=O)O	PC-id_153789386	308.105	FXMYRJKCXBKELB-UHFFFAOYSA-N	00000010101000000110000000000010000000000000000000000000	31-01-042545
O=CC=Cc1c(I)cc2-c1ccccc2	SCHEMBL9578342	308.114	CSKMROQMSNIBSV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042546
COC[C@@H]1Cc2c(CCO1)c(n[nH]2)I	PC-id_142592527	308.116	KJFOXYFEANKIEA-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-042547
COC1=C(C=C(C=C1F)F)NCC2=NN=C3N2CCCCC3	MCULE-5378886245,PC-id_154736312,EMOLS-id_317937102	308.145	NEXMNVIXNZHAQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042548
CC1C=CC2=C(C=C1)OC(=N2)/C=C/C/3=C/CN=CC(/C=C3)(C)O	PC-id_154662561	308.152	KLEJAJZCQAJELM-MGHRFRGTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-042549
Brc1cccc(c1)OC1CCNCc2c1cco2	SCHEMBL10078522,PC-id_68028513	308.17	STMJBXGGLZLZHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042550
Brc1ccccc1OC1CCNCc2c1cco2	SCHEMBL10078745,PC-id_68028625	308.17	XQEYQHAKMRSRQU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042551
P(PP)(P)n1nnc2CCCN(Cc12)CCC	PC-id_23398355	308.177	WSCOMZBYGHZROM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042552
Clc1cc(Cn2cc3CCCCC(=O)c3c2)ccc1Cl	PC-id_83206534	308.202	KHBGEXSFGBADGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042553
Clc1c(Cn2cc3CCCCC(=O)c3c2)ccc(Cl)c1	PC-id_83206542	308.202	BESMMIFWMINXIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042554
Clc1c(Cn2cc3CCCCC(=O)c3c2)cc(Cl)cc1	PC-id_83207170	308.202	IJOHLQCQBZYSCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042555
Clc1c(Cn2cc3CCCCC(=O)c3c2)c(Cl)ccc1	PC-id_83206528	308.202	RCXRHHZUNPVMLK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042556
O=C1CCCCc2c1cn(c2)Cc1cccc(c1Cl)Cl	PC-id_107307218	308.202	YXMIMNILFMXYNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042557
CC(C)NC(=O)COC1CCCCCC2=C1N=NN2C(C)C	PC-id_161490126	308.221	KGYGBJCQMLVGFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042558
[Na+].c12c(ncn1Cc1ccc(C(=O)[O-])cc1)C(O)CN=CN2	CHEMBL287891	308.268	GHGMTHUJPJIJAP-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-042559
CC(c1nnc2n1CCCCC2)NC(=O)C(C(F)F)(F)F	PC-id_103732478	308.275	FZLKMFORAYQQTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042560
Fc1cc(F)c(cc1NC(=O)c1noc2c1CCCCC2)O	EMOLS-id_278909367	308.28	XXICQODXVSOGTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042561
Fc1cc(NC(=O)c2noc3c2CCCCC3)c(c(c1)F)O	EMOLS-id_319911905,MCULE-5967031937	308.28	BNEZHTVLECGJRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042562
Cn1nc2CCN(CCn2c1=O)C(=O)c1ccc(F)cc1F	PC-id_91910619,EMOLS-id_49731329,MCULE-7941685588	308.283	WEKWRYZLKRJFNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042563
CCOC(=O)c1cn(c2c1C(=O)[C@H](CC(=O)N2)C(=O)OC)C	CoCoCo_5587931	308.287	JUZZPLMPKCZGJO-ZETCQYMHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042564
CCOC(=O)c1cn(c2c1C(=O)[C@@H](CC(=O)N2)C(=O)OC)C	CoCoCo_5587932	308.287	JUZZPLMPKCZGJO-SSDOTTSWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042565
CCOC(=O)c1cn(C)c2c1C(=C(C(=O)OC)CC(=O)N2)O	ZINC22_5837025,NSC303245,PC-id_54679333,CoCoCo_5587930	308.287	NCZPSHLUVBSCMR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-042566
FC(c1ccc(cn1)NC(=O)C1CCn2c(CC1)nnn2)F	MCULE-7525138144,EMOLS-id_320141156	308.287	FXVFYISMWCAFLK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042567
O=C1C(CC(=O)Nc2n(cc(c12)C(=O)OCC)C)C(=O)OC	PC-id_536008	308.287	JUZZPLMPKCZGJO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042568
O=C(Nc1cccc(c1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102014335	308.287	TYELQURABIRMLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042569
O=C(Nc1ccc(cc1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102025498	308.287	NHBGKBXSSDBERM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042570
O=C(Nc1ccc(c(c1)F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102025570	308.287	PPWJFKVOPFWLTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042571
O=C(Nc1cc(F)cc(c1)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102001503	308.287	QFLGLHBEXSYCGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042572
O=C(Nc1cc(F)ccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102025510	308.287	NXJBYYWQZQSTNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042573
O=C(Nc1c(F)cccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102025561	308.287	KBJPNYRRLIMLDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042574
FC(F)(F)C(=O)c1c2-c(cc(C(C)C)ccc2C)c(c1)C=O	PC-id_15315860	308.295	QWTCYGAOIYXXJE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042575
CCOC(=O)c1n(C)cc2c1CC(F)(F)CNS2(=O)=O	PC-id_140762770	308.302	DIOBDMLFKQCCRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042576
Clc1c2SSSSSc2c(n1C)Cl	CT-id_7150254,NSC724853,PC-id_406613	308.315	XNFBWGBDJCTWNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042577
O=C(N1CCCCc2c1sc(n2)C)COCC(F)(F)F	MCULE-8875060881,EMOLS-id_319996032	308.32	YLILYZDKLFXMHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042578
S(c1n2CCCCCc2nn1)CC(=O)NCC(F)(F)F	PC-id_7876807	308.323	AJJDZXRNVSYCNV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042579
Cc1cc(F)c(c(c1)F)CNCc1nnc2n1CCOCC2	MCULE-2495327103,EMOLS-id_318757591	308.326	IXGLABWXWLQGAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042580
C[C@H](NCc1nnc2n1CCOCC2)c1ccc(F)cc1F	ZINC22_1614994810,EMOLS-id_320298702,MCULE-4597318980	308.326	OHBOYOIHHJADHJ-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-042581
COc1cc(F)c(cc1NCc1nnc2n1CCCCC2)F	EMOLS-id_318303970,MCULE-6157591919	308.326	GKNDZOMZOHBUFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042582
FC(F)Oc1ccc(NCc2n3CCCCCc3nn2)cc1	PC-id_7523870	308.326	PFFZSUBZBIQRLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042583
C=CCOCC(C(=O)O)NC(=O)c1noc2c1CCCCC2	PC-id_121955076,MCULE-5695164562,EMOLS-id_72619081	308.33	VVMVRIASLZUXPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042584
C[C@H]1OC(CN(C1)C(=O)c1noc2c1CCCCC2)C(=O)O	PC-id_120536180	308.33	NJGVRMRTKNOQMA-PKEIRNPWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042585
CCN(C(=O)c1coc2c1C(=O)NCCC2)[C@@H]1COC[C@H]1O	MCULE-5466271668,EMOLS-id_320005431	308.33	BLBZWMPSAJVCHG-GHMZBOCLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042586
CCOC(=O)C(=C1CCNC(=O)c2c1cc[nH]2)COOCC	PC-id_89136007	308.33	AYTVQQBTJUBHTO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042587
CCOC(=O)/C(=C/1CCNC(=O)c2c1cc[nH]2)/COOCC	SCHEMBL13639078	308.33	AYTVQQBTJUBHTO-ZRDIBKRKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042588
CCOC(=O)C(C1=CCNC(=O)c2c1cc[nH]2)COOCC	SCHEMBL13639079,PC-id_89136008	308.33	VTJFNOQXLAGCDL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-042589
COC1CC(N(C1)C(=O)c1noc2c1CCCCC2)C(=O)O	PC-id_120534470	308.33	JIXLBWYALJDNKC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042590
CO[C@@H]1CCOC[C@H]1NC(=O)c1coc2c1C(=O)NCCC2	MCULE-1416602074,ZINC22_889184117,PC-id_136587583,EMOLS-id_316972751	308.33	OHVJQCDKGXZTNT-GHMZBOCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-042591
COC(=O)C1COCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_111931213	308.33	OGIOWZWDUZMWQN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042592
COC(=O)C1OCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111829352	308.33	PYHKBRJJVJCUMU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042593
COC(=O)[C@@H]1C[C@H](CN1C(=O)c1noc2c1CCCCC2)O	EMOLS-id_111935623	308.33	FCZAVTHIXXVQIY-KOLCDFICSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042594
O=C(c1noc2c1CCCCC2)N1CCC(CC1)(O)C(=O)O	MCULE-9356254592,PC-id_120528219,EMOLS-id_72333108	308.33	REVPEEJOQUFTIE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042595
O=C(c1noc2c1CCCCC2)NC1(CCOCC1)C(=O)O	EMOLS-id_72593605,MCULE-8584909973,PC-id_121942315	308.33	WELNTNBMDYGHBO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042596
OC(=O)CC1(CCOC1)NC(=O)c1noc2c1CCCCC2	PC-id_121884726,EMOLS-id_72481562,MCULE-4699944402	308.33	SEDBLUNFOXODII-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042597
OC(=O)CC1COCCN1C(=O)c1noc2c1CCCCC2	PC-id_121772534	308.33	IUZDXVYMVOOJPC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042598
OC(=O)CC1OCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_57622531,MCULE-7461801530,PC-id_120527702	308.33	TXEATQYABOSEHV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042599
Fc1cnc(c(c1)C(=O)O)Sc1nnc2n1CCCCC2	PC-id_108067588	308.331	OXHBSAOUBTYRJI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042600
OC(=O)c1ccnc(c1F)Sc1nnc2n1CCCCC2	PC-id_105382762	308.331	BXFLNLVLFIZKIX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042601
S(c1n2CCCCCc2nn1)c1cc([N+](=O)[O-])cc(F)c1	PC-id_80752458	308.331	QANYBASKRRMWGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042602
S(c1n2CCCCCc2nn1)c1c(F)cc([N+](=O)[O-])cc1	PC-id_60444229	308.331	WARLVFIWIGMNPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042603
S(c1n2CCCCCc2nn1)c1c([N+](=O)[O-])cc(F)cc1	PC-id_51284288	308.331	GQHAMXOVTGBELO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042604
S(c1n2CCCCCc2nn1)c1c([N+](=O)[O-])c(F)ccc1	PC-id_62690333	308.331	OVXSCLOPAJZBNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042605
C1CCC(CC1)C(=O)N1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14966340,PC-id_89580576	308.333	PBPJYTGQAMYHHU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042606
c1(C(=O)N2CCOCC(C(=O)O)C2)nnc2CCCCCn12	EMOLS-id_317891750,MCULE-6817173203	308.333	FMNFIVIZIOAQOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042607
c1(C(=O)N[C@@H]2CO[C@@H]3[C@@H](CO[C@H]23)O)cn2c(CCNCC2)n1	MCULE-6982042606,EMOLS-id_330386682,ZINC22_1857716016	308.333	SCSDUKSVSFLFKZ-FPQZTECRSA-N	00000010100000000101000000000110000000000000000000000000	31-01-042608
O1C(CN2CC(=O)N(c3ncn(c3C2=O)C)C)COC1(C)C	PC-id_568277	308.333	ACPITTNORFOEJM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042609
O=C1Nc2c([nH]cc2)CCC1NC(=O)CC(NC(=O)O)(C)C	PC-id_19067078	308.333	IETKWYPHBXJLMM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042610
O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)c1nnc2CCCCCn12	ZINC22_2356147682,EMOLS-id_337773873	308.333	JGECLIMKWMGATI-LUTQBAROSA-N	00000010100000000101000000000110000000000000000000000000	31-01-042611
O=C(O)[C@@H]1COCCN(C(=O)c2nnc3n2CCCCC3)C1	ZINC22_1772806803	308.333	FMNFIVIZIOAQOU-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-042612
O=C(O)[C@H]1COCCN(C(=O)c2nnc3n2CCCCC3)C1	ZINC22_1772806804	308.333	FMNFIVIZIOAQOU-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042613
c1(C(=Cc2ccc3c(OCO3)c2)C#N)nnc2CCCCCn12	EMOLS-id_300372588,PC-id_3885385,MCULE-3679112294	308.335	IFAZMNGKRNQMIZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-042614
c1(cc(on1)c1ccccc1)C(=O)N1CCCn2cncc2C1	MCULE-7832133754,PC-id_56890958,ZINC22_72143237,EMOLS-id_43093545	308.335	GBFXJBALXCYXRS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-042615
N#CC1C=CC=c2c(=C1)cc([nH]2)C(=O)NC(c1coc(n1)C)C	PC-id_144935715	308.335	LQDWKPVKFGMGBY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-042616
N#Cc1ccc(nc1C=Cc1cnc2n1CCCCC2)C(=O)O	EMOLS-id_318475257,MCULE-9682380260	308.335	LMBNBSAKCVAGRP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042617
N#C/C(=C/c1ccc2c(c1)OCO2)/c1nnc2n1CCCCC2	CoCoCo_1737657,EMOLS-id_27010414,PC-id_7064229	308.335	IFAZMNGKRNQMIZ-JYRVWZFOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-042618
N#C/C(=Cc1ccc2c(c1)OCO2)/c1nnc2n1CCCCC2	PC-id_5946864,CoCoCo_1737658	308.335	IFAZMNGKRNQMIZ-MDWZMJQESA-N	00000010100000100101000000001010000000000000000000000000	31-01-042619
N#C/C(=Cc1ccc(cc1)C(=O)O)/c1nnc2n1CCCCC2	CoCoCo_3456331,PC-id_6056039	308.335	JNODLLRVJZKRNN-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042620
N#C/C(=C/c1ccc(cc1)C(=O)O)/c1nnc2n1CCCCC2	CoCoCo_3456332,PC-id_75460344	308.335	JNODLLRVJZKRNN-UVTDQMKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042621
N#CC(=Cc1ccc(cc1)C(=O)O)c1nnc2n1CCCCC2	PC-id_4276359,MCULE-2877384671,EMOLS-id_26092849	308.335	JNODLLRVJZKRNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042622
O1c2c(/C=C(/c3n4CCCCCc4nn3)C#N)cccc2OC1	PC-id_52197834	308.335	RTMKLZAMCKCRIC-UKTHLTGXSA-N	00000010100000100101000000001010000000000000000000000000	31-01-042623
O1c2c(C=C(c3n4CCCCCc4nn3)C#N)cccc2OC1	PC-id_75692873	308.335	RTMKLZAMCKCRIC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-042624
OC(C(c1nc2=CCC=CC=c2[nH]1)O)c1nc2c([nH]1)cccc2	PC-id_142896637	308.335	AEQGEOBLQIERME-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-042625
O=C1NCc2n(nnc2)CC(=O)NC(C(=O)NC1C(C)C)C	PC-id_75251117	308.336	KJIXSRKOIGYSAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042626
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O=C1N[C@H](C)C(=O)N[C@H](C)c2cn([C@@H](C(=O)N[C@@H]1C)C)nn2	PC-id_101471993	308.336	QSBGOHRKVIIWRW-FNCVBFRFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042628
O=C1N[C@@H](C)C(=O)N[C@@H](C)c2cn([C@@H](C(=O)N[C@H]1C)C)nn2	PC-id_101471994	308.336	QSBGOHRKVIIWRW-XSPKLOCKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042629
O=C1N[C@H](C)C(=O)N[C@H](C)c2cn([C@H](C(=O)N[C@@H]1C)C)nn2	PC-id_101471995	308.336	QSBGOHRKVIIWRW-BGZDPUMWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042630
O=C1N[C@@H](C)C(=O)N[C@@H](C)c2cn([C@H](C(=O)N[C@@H]1C)C)nn2	PC-id_101471996	308.336	QSBGOHRKVIIWRW-MAUMQABQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042631
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c12CN(CCCn1nc(C#N)c2)Cc1ccc(c2cc[nH]n2)o1	MCULE-6845829213,EMOLS-id_222782721,ZINC22_670462600	308.338	OBJCDGRPSBKBEO-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-042640
c1(C(=O)N2CCCn3cncc3C2)cn(nn1)c1ccccc1	PC-id_56899691,EMOLS-id_43129155,ZINC22_72163686,MCULE-3510146701	308.338	WZONPACXVKSAGH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-042641
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Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(c(c1)F)F	EMOLS-id_319135082	308.346	CETIWVMEZIJBBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042645
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc(c1F)F	EMOLS-id_319477891	308.346	FPYOTIXFKWVTBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042646
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Cn1nc2CCN(CCn2c1=O)S(=O)(=O)c1ccccc1	MCULE-6694330176,EMOLS-id_239629096	308.356	GFAJMTZUWCFOFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042664
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Cc1nc(=NC(=O)Cn2nc3n(c2=O)CCCCC3)s[nH]1	PC-id_146126764,ZINC22_1875260853	308.359	CGBMIJKAYGZGSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042666
Cc1nnc(NC(=O)Cn2nc3n(c2=O)CCCCC3)s1	ZINC22_30612339	308.359	JRVUZQVNIZZHKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042667
s1cc(nc1C(=O)NN)Cn1nc2n(CCCCC2)c1=O	PC-id_63579043	308.359	PVHUZFDXYFFCHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042668
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CCc1nnc(s1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102027340	308.363	FOBXFQYEQPBTKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042671
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CC(CC(C(=O)O)CNC(=O)c1noc2c1CCCCC2)C	EMOLS-id_72334932,PC-id_120528558,MCULE-6130222522	308.373	PGXQRXFEUQOREZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042678
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OCC(C1CC1)(NC(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_109870794	308.376	JWVHOCRFATVQTP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-042740
O=C([C@@H]1COC(O1)(C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_320037999,MCULE-5743664861	308.376	DVENEUMIPHQKNP-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-042741
O=C(Cn1nc2n(c1=O)CCCCC2)NCC1CCCC1O	PC-id_111471065	308.376	OCQKXLSLZAFYKV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042742
O=C(Cn1nc2n(c1=O)CCCCC2)NCC1(O)CCCC1	PC-id_111333163	308.376	XRAOZBQVCAFWQZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042743
O[C@@H]1CCCN([C@@H]1C)C(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_319804034	308.376	FIXIVRSGZFSLDD-VXGBXAGGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042744
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)C(CC1OCCO1)N	EMOLS-id_319011976	308.376	AQDWQKWPTIPMHG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042745
O=C(N1CC(Cn2c(C1)cc(c2)C(=O)NO)(C)C)CN(C)C	SCHEMBL12210760,PC-id_58465651	308.376	UDCBOESULZZZMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042746
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)CCN(C)C	PC-id_56917207	308.376	FZRDCDQJZOVSOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042747
O=C(NCCc1nnc2n1CCCCC2)CCCCC(=O)O	PC-id_121768674,EMOLS-id_72133352,MCULE-3570554851	308.376	QXLSIWKRAOYIAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042748
s1c2CCCC(=O)N(c2cc1)Cc1nc(sc1)C(=O)O	PC-id_63747750	308.376	LGVUPXGHGPZLPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042749
c12C(=O)NCC(C)(C)Cc1[nH]c(Cn1c3ccccc3cc1)n2	MCULE-5819680541,EMOLS-id_32430758,ZINC22_65507723,PC-id_50981265	308.378	ZGSTWBNPTBAYTC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042750
c1ccc(Cc2nnc3n2CCN(Cc2ccco2)CC3)cc1	EMOLS-id_20578231,PC-id_31018662,CoCoCo_1385762,MCULE-3565902352,ZINC22_23340301,CoCoCo_1385761	308.378	CTOSWMHICNIPSU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-042751
c1ccc(Cn2nncc2CN2CCCc3occc3C2)cc1	EMOLS-id_316894270,MCULE-7320404341,ZINC22_292831808	308.378	RHEVQWHHBJQJCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042752
c1(C(=O)Nc2cccc3c2ccn3C)c2CCCCCc2n[nH]1	STOCK7S-45687,MCULE-3544570550,PC-id_75488968,EMOLS-id_49245911,ZINC22_96223623,EMOLS-id_50400278	308.378	UTIRLSXDRNGZSA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042753
CC1Cc2[nH]ncc2CN(C1)C(=O)c1cc2c(n1C)cccc2	EMOLS-id_318891062	308.378	BPIXZXKKDZIHES-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042754
Cc1ccc2c(c1)[nH]c(c2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101669317	308.378	VWCCPZFFMACPGR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042755
Cc1cc(cc(c1O)C)/C=C(C#N)/c1nnc2n1CCCCC2	PC-id_135735579	308.378	FUMIXTQEZPMDPI-XNTDXEJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042756
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c([nH]1)cc(cc2)C	EMOLS-id_319041944	308.378	YCDXVRJRIGACQS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042757
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)ccn2C	EMOLS-id_319753631	308.378	BDGMUSXZRSWYBJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042758
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)n(C)cc2	EMOLS-id_319275864	308.378	QOQAUIGRGPUPDQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042759
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)[nH]c2c1cccc2	EMOLS-id_319694645	308.378	NEVUFEGMZYVVEP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042760
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn2c(c1)c(C)ccc2	EMOLS-id_319957083,MCULE-3442294125	308.378	AMSAURDLSQMDBQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-042761
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c[nH]c2c1ccc(c2)C	MCULE-9417562463,EMOLS-id_319939195	308.378	QCUCMDJLPZJDLL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042762
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c[nH]c2c1cccc2	MCULE-9866200379,EMOLS-id_319954022	308.378	LKDCJSDNBFJIPM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042763
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ccc2c1cccc2	EMOLS-id_319591722	308.378	BBEAJUAOABSPPX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042764
CC1CN(Cc2coc(n2)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_318922360	308.378	REGXMFLWBFMSSI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-042765
CC1CN(Cc2ncc(o2)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_319548734	308.378	SUHDUOXWWMCDJL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-042766
CC1CN(Cc2onc(c2)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_319388766	308.378	UPDFZCIUZQREON-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-042767
C#Cc1ccc(cc1)C(=O)N(Cc1nnc2n1CCCCC2)C	MCULE-4661994815,EMOLS-id_257990775	308.378	OQWILNSJETWROO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042768
CC(C)C1N(CCCn2ccnc12)C(=O)c1ccc(cc1)C#N	EMOLS-id_55717396,MCULE-8950190754	308.378	LHGYVZBLAFZKNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042769
CC#CC(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1	MCULE-7596636595,EMOLS-id_73011474,ZINC22_283932403,PC-id_121590577	308.378	YTHWYOUCTLSOEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042770
CC[C@H]1Cc2[nH]cnc2CCN1C(=O)c1c[nH]c2c1cccc2	SCHEMBL18408343	308.378	CGBUBYLMMVUGHV-LBPRGKRZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042771
CCOc1ccccc1/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3456343,PC-id_8275297	308.378	AOHUABVHEULFQH-NTCAYCPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042772
CCOc1ccccc1/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3456344	308.378	AOHUABVHEULFQH-QINSGFPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042773
CCOc1ccccc1C=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_26092861,MCULE-1007378445,PC-id_86775935	308.378	AOHUABVHEULFQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042774
CCOc1cccc(c1)C=C(c1nnc2n1CCCCC2)C#N	PC-id_72050955,MCULE-8712381433,EMOLS-id_31998530	308.378	LAVOEPSOLWKSNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042775
CCOc1ccc(cc1)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_75362031,CoCoCo_3456346	308.378	XBLZLVAXUGTOMB-QINSGFPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042776
CCOc1cccc(c1)/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_93977494	308.378	LAVOEPSOLWKSNN-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042777
CCOc1ccc(C=C(c2n3c(CCCCC3)nn2)C#N)cc1	MCULE-1903887565,PC-id_5115263,EMOLS-id_300266052	308.378	XBLZLVAXUGTOMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042778
CCOc1ccc(/C=C(C#N)/c2nnc3CCCCCn23)cc1	CoCoCo_3456345,PC-id_6274410,EMOLS-id_26092863	308.378	XBLZLVAXUGTOMB-NTCAYCPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042779
Cn1c2c(ccc(c2)NC(=O)c2c3c(CCCCC3)[nH]n2)cc1	EMOLS-id_323249333,MCULE-3976068193	308.378	VIZFUMOHTQNIMM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042780
CN(C(=O)c1cnc2n1CCCCC2)c1ccc2cc[nH]c2c1	ZINC22_622858246	308.378	GPPJYABJZGIXAG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042781
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N#Cc1ccc(cc1)CCn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_320056860,MCULE-1924403940	308.378	UJNYVLMXJFDYEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042783
N#Cc1ccc(cc1)C(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319439262	308.378	WTBFEVGLTQKFIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042784
N#Cc1cccc(c1)C(NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318520706	308.378	MVIGJGYNAGQDGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042785
N#Cc1ccc(cc1)C(NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318752279	308.378	MQJLZANGTJICHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042786
N#Cc1cc(C)c(c(c1)C)CC(=O)N1CCCc2c(C1)c[nH]n2	MCULE-2527376908,EMOLS-id_319885312	308.378	OYOUMMCLVGIYSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042787
N#Cc1ccc(OC2CN(CC3CC3)Cc3cccn3C2)nc1	EMOLS-id_50008972	308.378	KIWLLJGAMYUFKR-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-042788
N#Cc1ccc(O[C@H]2CN(CC3CC3)Cc3cccn3C2)nc1	ZINC22_247712037	308.378	KIWLLJGAMYUFKR-KRWDZBQOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-042789
N#Cc1ccc(O[C@@H]2CN(CC3CC3)Cc3cccn3C2)nc1	ZINC22_247712039	308.378	KIWLLJGAMYUFKR-QGZVFWFLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-042790
N#CCc1ccccc1CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318861252	308.378	ZKIDIQFJWBZTEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042791
N#CCc1ccccc1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_320078137,MCULE-1736400568	308.378	FSGCYYPQKOXCSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042792
N#C/C(=C/c1ccc(c(c1)C)OC)/c1nnc2n1CCCCC2	CoCoCo_4450263	308.378	KVUWSEPUVBCGMU-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042793
N#CC(=Cc1ccc(c(c1)C)OC)c1nnc2n1CCCCC2	MCULE-5502699113,PC-id_72060617,EMOLS-id_26225219	308.378	KVUWSEPUVBCGMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042794
N#C/C(=Cc1ccc(c(c1)C)OC)/c1nnc2n1CCCCC2	PC-id_16302557,CoCoCo_4450262	308.378	KVUWSEPUVBCGMU-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042795
N#CC(=Cc1cc(C)ccc1OC)c1nnc2n1CCCCC2	MCULE-8937082918,PC-id_72068448,EMOLS-id_30720305	308.378	MCFGJTLGXRPKRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042796
o1c(C2C(C2)C)ccc1C=C(c1n2CCCCCc2nn1)C#N	PC-id_84962669	308.378	HBOIHLIGMAEEOM-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-042797
o1c([C@H]2[C@@H](C2)C)ccc1/C=C(/c1n2CCCCCc2nn1)C#N	PC-id_9247371	308.378	HBOIHLIGMAEEOM-QEETYLAOSA-N	00100000101000000101100000000010000000000000000000000000	31-01-042798
o1c([C@H]2[C@H](C2)C)ccc1/C=C(/c1n2CCCCCc2nn1)C#N	PC-id_9247372	308.378	HBOIHLIGMAEEOM-IBSGOMHESA-N	00100000101000000101100000000010000000000000000000000000	31-01-042799
o1c([C@@H]2[C@@H](C2)C)ccc1/C=C(/c1n2CCCCCc2nn1)C#N	PC-id_9247373	308.378	HBOIHLIGMAEEOM-RYGRJTBMSA-N	00100000101000000101100000000010000000000000000000000000	31-01-042800
o1c([C@@H]2[C@H](C2)C)ccc1/C=C(/c1n2CCCCCc2nn1)C#N	PC-id_9247374	308.378	HBOIHLIGMAEEOM-YOMTVTAXSA-N	00100000101000000101100000000010000000000000000000000000	31-01-042801
O(c1c(/C=C(c2n3CCCCCc3nn2)/C#N)cc(cc1)C)C	PC-id_47009551	308.378	MCFGJTLGXRPKRU-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042802
O(c1c(/C=C(/c2n3CCCCCc3nn2)C#N)cc(cc1)C)C	PC-id_51210571	308.378	MCFGJTLGXRPKRU-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042803
O(c1cc(/C=C(c2n3CCCCCc3nn2)/C#N)ccc1)CC	PC-id_47046160	308.378	LAVOEPSOLWKSNN-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042804
O=C1C(=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=C1C)C	PC-id_46800547	308.378	LXYMXKRFFURFJC-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-042805
O=C(c1c(C)[nH]c2c1cccc2)N1CCCc2c(C1)cnn2C	EMOLS-id_101669191	308.378	RRIJVHPKALDHHC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-042806
S(c1n2CCCCCc2nn1)c1nc(NCC)ncc1F	PC-id_80869724	308.378	FJDGLWSQFBXHAY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-042807
c12C(=O)NCCCc1nc(NC(=O)Nc1cccs1)s2	EMOLS-id_48619070,ZINC22_96124412,PC-id_71811033,MCULE-4937709718	308.379	NXSNSEZAQUILOU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-042808
CC1CN(CC(O1)(C)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158998	308.379	RNGGMWDIJOJNOJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042809
Cc1c(scn1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625510	308.379	XAGAENLNHZDIAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042810
Cc1nc(C(=O)Nc2nc3c(s2)C(=O)NCCC3)cs1	EMOLS-id_48619010,MCULE-6272534904,ZINC22_96124378,PC-id_72719965	308.379	QHVAVAXTNLAWIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042811
CCC1(CO)CCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168853	308.379	HGQJVUJNSDUQJO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042812
CCC1COC(CN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102183114	308.379	GMYDJMYTXDTVKE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042813
CCC1(C)OCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168859	308.379	IGVYYAUBRSUOLF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042814
CCC1OC(C)CN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163258	308.379	JCMFJHCFEBSJKQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042815
CCC1OCCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102169045	308.379	ZLZVHRORKKUJPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042816
CC(C1OCCN(C1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102167038	308.379	MFAXEAAIFAHVAD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042817
CCCC1(CCOC1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161125	308.379	YXYMFQIJRQMOHO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042818
CCCC1OCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166954	308.379	PTHOTCKHNQOZFS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042819
CCN(C(=O)NC1CCn2c(CC1)nnn2)CC1CCCO1	EMOLS-id_102163183	308.379	PMOONAQAOQHFQG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042820
CCO[C@@H]1CCC[C@H]1NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183036	308.379	BSUMABUATVSVDG-PQDIPPBSSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042821
CNC(=O)CN1CCCn2c(C1)c(CNC(=O)N(C)C)nc2	PC-id_97381544	308.379	JOJBWGUADYFESM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042822
CN(C(=O)NC1CCn2c(CC1)nnn2)CC1CCCCO1	EMOLS-id_102158959	308.379	XFOPCZBXXFLPMN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042823
CN(C(=O)NC1CCn2c(CC1)nnn2)CC1CCOCC1	MCULE-3915757566,EMOLS-id_319877590	308.379	JWCKWWNMUFQBEX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042824
COC1CC(C1(C)C)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158593	308.379	KOTZWSQYNVOCPH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-042825
COC1(CCC1)C(NC(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102160933	308.379	DPPMZXDUBNAQME-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-042826
COC1CCCC1CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166732	308.379	KEVZJZBUADFCNF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042827
COC1(CCCC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102181359	308.379	FMQHJQFATVTAPM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042828
COC1(C)CCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168991	308.379	UCCDWXKDDVIYBI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042829
COC1(CCNC(=O)NC2CCn3c(CC2)nnn3)CCC1	EMOLS-id_102181296	308.379	YQYDVDUTNQXYKL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-042830
COC(C1CC1)(CNC(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102179943	308.379	JCVOXQWBVKBMCA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-042831
COCC1(CCC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102176747	308.379	MVXSGTFXIUTUHF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-042832
COCC1CCCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102107012	308.379	YZOLNJXUCDYWFK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042833
COC(C(NC(=O)NC1CCn2c(CC1)nnn2)C)C1CC1	EMOLS-id_102182967	308.379	LJPGAEOIUVMHPV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-042834
OCC(C1CCCC1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161233	308.379	DTDAUOGNZMOBPU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042835
O=C(CN([C@@H]1CCC[C@H]1O)C)NC1CCn2c(CC1)nnn2	EMOLS-id_319577526	308.379	QKCUVNZQSMBLMP-PQDIPPBSSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042836
OCC(NC(=O)NC1CCn2c(CC1)nnn2)CC1CCC1	EMOLS-id_102169009	308.379	IDDVXIBMUXJKLA-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-042837
O=C(NC1CCn2c(CC1)nnn2)NCC1(O)CCCC1C	EMOLS-id_102161335	308.379	WHNGCSXVZURYSQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042838
O=C(NC1CCn2c(CC1)nnn2)NCC1(O)CCCCC1	EMOLS-id_102163171	308.379	WWGWWTHPYFAORZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042839
O=C(NC1CCn2c(CC1)nnn2)NCCC1CCCCO1	EMOLS-id_102168352	308.379	BASDOMZOCFYGKZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042840
O=C(NC1CCn2c(CC1)nnn2)NC[C@H]1CCCC[C@@H]1O	EMOLS-id_102106967	308.379	XYFWZICRJIAABE-LWALXPGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042841
O=C(NC1CCn2c(CC1)nnn2)NC[C@@H]1CCCC[C@H]1O	EMOLS-id_102106973	308.379	XYFWZICRJIAABE-ASKATJPDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042842
O=C(NC(C1CCCCO1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102166780	308.379	NJNLJVTYGJGWLT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042843
O=C(N[C@@H]1C[C@@H](C1)OC(C)C)NC1CCc2n(CC1)nnn2	EMOLS-id_102158746	308.379	LUQXCXCGVWUAEC-YOGCLGLASA-N	00001000100000000101000000000010000000000000000000000000	31-01-042844
c1ccc(CN2Cc3nccn3C[C@@H](Cn3cccn3)C2)nc1	PC-id_97462979,ZINC22_96188545	308.381	YWLMCBPDCOJTDQ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042845
c1ccc(CN2Cc3nccn3C[C@H](Cn3cccn3)C2)nc1	ZINC22_96188544,PC-id_97462978	308.381	YWLMCBPDCOJTDQ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042846
c1ccc(CN2CCc3ncc(Cn4cccn4)n3CC2)nc1	PC-id_97467085,ZINC22_96196941,EMOLS-id_44328811	308.381	DMCSCCBGXJJOJR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042847
c1ccc(CN2CCCn3cnc(Cn4cccn4)c3C2)nc1	PC-id_97519553,EMOLS-id_44370488,ZINC22_96259469	308.381	YAWVPYXQMDILKM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042848
c1ccc(CN2CCCn3c(nnc3Cn3cccc3)C2)nc1	ZINC22_96259639,EMOLS-id_44370826,PC-id_97519721	308.381	UOSZDZLCTHMARG-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-042849
c1ccc(CN2CCCn3nnc(Cn4cccc4)c3C2)nc1	ZINC22_96259511,EMOLS-id_44370572,PC-id_97519594,CHEMBL3551524	308.381	BMWZGQNDRWUDPK-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-042850
c1ccn(Cc2nnc3n2CCCN(Cc2ccncc2)C3)c1	PC-id_97519720,EMOLS-id_44370824,ZINC22_96259638	308.381	TUCMQQDXZSPRJL-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-042851
c1cncc(CN2Cc3nccn3C[C@H](Cn3cccn3)C2)c1	PC-id_97462980,ZINC22_96188546	308.381	YLTQSVCAQRBLOI-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042852
c1cncc(CN2Cc3nccn3C[C@@H](Cn3cccn3)C2)c1	ZINC22_96188547,PC-id_97462981	308.381	YLTQSVCAQRBLOI-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042853
c1cncc(CN2CCc3ncc(Cn4cccn4)n3CC2)c1	PC-id_97467086,EMOLS-id_44328813,ZINC22_96196942	308.381	ZHWBFIBRMUBUDR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042854
c1cncc(CN2CCCn3cnc(Cn4cccn4)c3C2)c1	PC-id_97519552,ZINC22_96259468,EMOLS-id_44370486	308.381	PZFRWNFRQJOPLR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042855
c1cnn(C[C@H]2CN(Cc3ccncc3)Cc3nccn3C2)c1	PC-id_97462982,ZINC22_96188548	308.381	ROLAIHQOAFONEE-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042856
c1cnn(C[C@@H]2CN(Cc3ccncc3)Cc3nccn3C2)c1	PC-id_97462983,ZINC22_96188549	308.381	ROLAIHQOAFONEE-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042857
Cc1cc2CN(Cc3cn(nn3)c3ccccc3)CCCn2n1	PC-id_56915148,ZINC22_72169469,MCULE-9083707460,EMOLS-id_43174604	308.381	QMRJHEYCUYKJOF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-042858
Cc1ccc(N/N=C(C#N)/c2nnc3n2CCCCC3)c(C)c1	GD-id_ZINC05446962,CoCoCo_3692393,ZINC22_5446962,PC-id_6000889	308.381	GMEMVBMSGJEFSX-HMMYKYKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042859
CC1CN(Cc2c(C1)[nH]nc2)Cc1cnnn1c1ccccc1	EMOLS-id_319813124	308.381	DAVZXUPCJVWPIP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-042860
CC1CN(Cc2c(C1)[nH]nc2)Cc1ncnn1c1ccccc1	EMOLS-id_319486366	308.381	IKIJIXIWQNORAS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-042861
C(C1CN(Cc2ccccn2)Cc2nccn2C1)n1cccn1	PC-id_118744388,EMOLS-id_44326387	308.381	YWLMCBPDCOJTDQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042862
C(C1CN(Cc2cccnc2)Cc2nccn2C1)n1cccn1	EMOLS-id_44326389,PC-id_118746464	308.381	YLTQSVCAQRBLOI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042863
CC1CN(Cc2ccc(nc2)n2cncc2)Cc2c(C1)[nH]nc2	EMOLS-id_318838150	308.381	JDXIEPXGLJLTSH-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-042864
C(C1CN(Cc2ccncc2)Cc2nccn2C1)n1cccn1	EMOLS-id_44326391	308.381	ROLAIHQOAFONEE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042865
CC1CN(Cc2cnn(n2)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_319004469	308.381	OWTPNNBXTJODOC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-042866
Cn1ncc2c1CCCN(Cc1cc(c3ccccn3)n[nH]1)C2	ZINC22_1652660470,MCULE-1208634314,PC-id_139013677,EMOLS-id_320395103	308.381	MYLFGGHROXSNOI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-042867
n12CCCCCc1nnc2C(=NNc1c(cc(cc1)C)C)C#N	PC-id_4062986,EMOLS-id_44488507,MCULE-3109472789	308.381	GMEMVBMSGJEFSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042868
n1ccc(cc1)CN1CCc2n(CC1)c(cn2)Cn1cccn1	PC-id_97390216	308.381	USAWCFNBFOBCNZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-042869
N1(CCn2c(nnc2C)CC1)Cc1n(ccc1)c1cccnc1	PC-id_42320735	308.381	XOJPRVNWJDHPDP-UHFFFAOYSA-N	00000000110000101101100000000010000000000000000000000000	31-01-042870
N#Cc1cc2CCCc2nc1NCc1nnc2n1CCCCC2	EMOLS-id_318670739,MCULE-1689555040	308.381	NTLLGELDECZIAV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-042871
N#C/C(=N/Nc1ccc(cc1C)C)/c1nnc2n1CCCCC2	CoCoCo_3692394	308.381	GMEMVBMSGJEFSX-HKWRFOASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042872
Cc1ccc(c(c1F)C(c1cc2c(s1)CCCCC2)O)F	PC-id_115829327	308.386	PWDGILCEGRZERH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042873
Fc1ccc(c(c1)CC(c1cc2c(s1)CCCCC2)O)F	PC-id_114982048	308.386	DJTIDORHJOMWEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042874
Fc1cc(F)cc(c1)CC(c1cc2c(s1)CCCCC2)O	PC-id_105412795	308.386	JKQIWSXNCMWBQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042875
OC(c1ccc(c(c1F)F)C)c1cc2c(s1)CCCCC2	PC-id_107516165	308.386	SCZUVEMGMGDZLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042876
s1c2c(CCCCC2)cc1C(O)c1cc(c(F)cc1F)C	PC-id_79726531	308.386	NYNYHWQBXJGFHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042877
s1c2c(CCCCC2)cc1C(O)c1c(F)cc(c(F)c1)C	PC-id_80121047	308.386	FBKFPFUIDHQJMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042878
s1c2c(CCCCC2)cc1C(O)Cc1cc(F)c(F)cc1	PC-id_80384045	308.386	GZQIYSGNCWTXDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042879
s1c2c(CCCCC2)cc1C(O)Cc1c(F)cccc1F	PC-id_80383833	308.386	DTOAOJUISYTPRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042880
s1c2c(CCCCC2)cc1C(O)Cc1c(F)cc(F)cc1	PC-id_80388958	308.386	ZAXMNSHWKARBDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042881
s1c2c(CCCCC2)cc1C(O)Cc1c(F)c(F)ccc1	PC-id_80123731	308.386	JVBPJEYVAFZYJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042882
NNC(c1ccc(cc1F)F)c1cc2c(s1)CCCCC2	PC-id_105303138	308.389	IKRLETQRHKXQHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042883
NNC(c1ccc(c(c1)F)F)c1cc2c(s1)CCCCC2	PC-id_105304887	308.389	XVCNQJGZOFQWTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042884
NNC(c1cccc(c1F)F)c1cc2c(s1)CCCCC2	PC-id_105309264	308.389	USQFRBYZDISVOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042885
NNC(c1cc(F)cc(c1)F)c1cc2c(s1)CCCCC2	PC-id_105301777	308.389	BIACKJAPBPYIDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042886
NNC(c1cc(F)ccc1F)c1cc2c(s1)CCCCC2	PC-id_105303296	308.389	SDUZWOUKYIYVKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042887
NNC(c1c(F)cccc1F)c1cc2c(s1)CCCCC2	PC-id_105308020	308.389	PJDZTGQYNJJYMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042888
CCC(c1cc2-c(ccccc2)c1S(=O)(=O)O)C(C)OC	PC-id_88670887	308.393	IRQVLBFXVIOPND-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042889
CCCCCc1cc(c2-c1c(OC)cccc2)S(=O)(=O)O	SCHEMBL10803933,PC-id_13559095	308.393	VSRHTAWMDHZZFN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042890
CCC(C(C)OC)OS(=O)(=O)c1c2-c(ccccc2)cc1	PC-id_88670889	308.393	XVVORWJRFCCQQC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042891
COc1ccc(cc2-c1c(CC)cc2S(=O)(=O)O)C(C)C	SCHEMBL10807471,PC-id_10244770	308.393	SHGZVSXFRDMNCN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042892
c1(NC(=O)C2CCCO2)sc2c(CCCCC2)c1C(=O)N	BindingDB_PC-id_2932390,MCULE-8562158438,ChEMBL-DNDi_CHEMBL1339990,EMOLS-id_2199331,PC-id_2932390,BindingDB-id_113273,TIMTEC314476,CHEMBL1339990	308.396	MOKUNJNYIKOAOF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042893
c
(=N/C(=O)C2CC(=O)OC2(C)C)/sc2c(CCCCC2)[nH]1	EMOLS-id_50403073,STOCK7S-41764,MCULE-4836868534,PC-id_75464548,EMOLS-id_48565502	308.396	GBIOHWULGLWZSN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042894
CC1(C)OC(=O)C[C@@H]1C(=O)Nc1nc2c(s1)CCCCC2	PC-id_97426069,ZINC22_96117249	308.396	GBIOHWULGLWZSN-SECBINFHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042895
CC1(C)OC(=O)C[C@H]1C(=O)Nc1nc2c(s1)CCCCC2	ZINC22_96117248,PC-id_97426068	308.396	GBIOHWULGLWZSN-VIFPVBQESA-N	00000010100000000101000000000010000000000000000000000000	31-01-042896
CN1CCc2c(CC1)cc(s2)C(=O)N1CCCC1C(=O)O	PC-id_145481291	308.396	LRDSOSOMEJWSSW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042897
CN=C(C(=C)O)Nc1sc2c(c1C=O)CC(OCC2)(C)C	PC-id_143679298	308.396	XQVSNXSSBNYHBK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042898
COCCOCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_103606669	308.396	DEHKMDMWCRDVQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042899
COC(=O)c1nc2c(s1)N(C(=O)CC1CCC1)CCCC2	ZINC22_1875320927	308.396	NUGQMLCVGMHFBS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-042900
NC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCCC2	CoCoCo_902488,PC-id_2168675,ZINC22_2767821	308.396	MOKUNJNYIKOAOF-JTQLQIEISA-N	00000010100000000100000000000010000000000000000000000000	31-01-042901
NC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCCC2	ZINC22_375902,PC-id_844568,CoCoCo_902487	308.396	MOKUNJNYIKOAOF-SNVBAGLBSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042902
O[C@@H]1C[C@@](C1)(NC(=O)c1cc2c(s1)CCCCC2)C(=O)N	EMOLS-id_318936241	308.396	XUWBXOBIFWFIMA-AVCCJPFPSA-N	00001000100000000100000000000010000000000000000000000000	31-01-042903
O=C(N1CCC(C1)(N)C(=O)O)c1cc2c(s1)CCCCC2	PC-id_107323272	308.396	ZLCJDFWDOFKDQI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042904
O=C(OC(C)(C)C)C[C@@H]1N=Cc2c(NC1=O)sc(c2C)C	PC-id_117877759,SCHEMBL16471911	308.396	YMOIWDBBZXBDMP-NSHDSACASA-N	00000000100000000111000000000010000000000000000000000000	31-01-042905
s1c2c(CCCCC2)cc1C(=O)N1CC(NCC1)C(=O)O	PC-id_56863687	308.396	XDSCYZCTVXEEPR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042906
s1c2c(CCCCC2)cc1C(=O)N1C(CNCC1)C(=O)O	PC-id_65630177	308.396	WDJJKQHOTMOEGM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042907
s1c2CCCCCc2cc1C(=O)NNC(=O)C1OCCC1	PC-id_24644257	308.396	FBYJSDPXJROALO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042908
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@H]1OCCC1	PC-id_51648122	308.396	FBYJSDPXJROALO-NSHDSACASA-N	00000010100000000100000000000010000000000000000000000000	31-01-042909
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H]1OCCC1	PC-id_51648123	308.396	FBYJSDPXJROALO-LLVKDONJSA-N	00000010100000000100000000000010000000000000000000000000	31-01-042910
s1c2c(CCN(C=C(C2)C(=O)C)C)c(c1N)C(=O)OCC	PC-id_49877711	308.396	ZYLUDXIJJIBAMU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-042911
c12c(C)[nH]c(C)c1c(OCC)cccc2=[NH+]c1ccccc1N	MCULE-9781591162	308.397	XHJJTHJHCWVHGX-UHFFFAOYSA-O	00000000100000110110000000000010000000000000000000000000	31-01-042912
CCOc1ccc/c(=[NH+]c2ccccc2N)/c2c([nH]c(c12)C)C	PC-id_137328333	308.397	XHJJTHJHCWVHGX-CJLVFECKSA-O	00000000100000110110000000000010000000000000000000000000	31-01-042913
O(c1c2-c(c([nH+]c2C)C)c(Nc2c(N)cccc2)ccc1)CC	PC-id_1417229	308.397	JUMNKIVDRSAYAD-UHFFFAOYSA-O	00000010100000110110000000000010000000000000000000000000	31-01-042914
C1CCC(CC1)NC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625530	308.399	GYPVZKIWXGJQSA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042915
CC1(C)Cc2n[nH]cc2CN(S(=O)(=O)CC2(C#N)CC2)C1	EMOLS-id_316176991,ZINC22_1773085937,MCULE-9959582623	308.399	JJIFOJFBEDGBCW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-042916
CCS(=O)(=O)N1CCCn2c(C1)c(nc2)Cn1cccc1	PC-id_97405502	308.399	FIMCRDDXSALGKR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-042917
CN1CCCC(C1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625296	308.399	NMRJZSPRXONVCE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042918
CN1CN(CC1=O)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101100947	308.399	XSZZYWBEMPFWFY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042919
CNC(=O)N1CCc2nc(C(=O)N3CCCC3)sc2CC1	EMOLS-id_44379436,PC-id_97524733,ZINC22_96264801	308.399	CPARUUREHLBYME-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042920
n1n2CCCN(CCc3cscn3)Cc2cc1C(CO)O	MCULE-3680089967,PC-id_91795721,EMOLS-id_55705706	308.399	MCKCBXQLYKDBSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042921
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O=C1NCC(C1)CNC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_101847181	308.399	TYSGRSPEOPYDKT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042926
O=C1NCCN(C1C)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110688869	308.399	MIDKGCAUHYTAKF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042927
O=C1NCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890075	308.399	BPHDEULRESOGBF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042928
O=C1NCCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_100903953	308.399	QYRSOUGWKJTJTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042929
OC[C@H](c1nn2c(c1)CN(CCC2)CCc1cscn1)O	PC-id_99996075	308.399	MCKCBXQLYKDBSW-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042930
OC[C@@H](c1nn2c(c1)CN(CCC2)CCc1cscn1)O	PC-id_99996080	308.399	MCKCBXQLYKDBSW-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042931
OCCOCc1ncn2c1CN(Cc1nccs1)CCC2	ZINC22_96059006,EMOLS-id_46148309,PC-id_97381662	308.399	BBDMHWZVIOVDAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042932
OCCOCc1nnn2c1CN(Cc1cccs1)CCC2	ZINC22_96256064,EMOLS-id_44369448,PC-id_97517020	308.399	FEWDTHHLLLNEFQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-042933
OCCOCc1nnn2c1CN(Cc1ccsc1)CCC2	PC-id_97517019,ZINC22_96256063,EMOLS-id_44369446	308.399	LMBFJNZDMVPCCJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-042934
O=C(NC1(CC1)C(=O)N)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101066617	308.399	IHCYFUMYGZNAMV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-042935
O=C(NC1CC1)NCC(=O)Nc1nc2c(s1)CCCCC2	PC-id_100903817	308.399	ONAWACYQXBUHOE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-042936
s1c2CCCCCc2nc1NC(=O)N1CC(CC1)C(=O)N	PC-id_56813341	308.399	WBGUGFIWDWPPTJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-042937
S(c1n2CCCCCc2nn1)CC(=O)N1CCC(=O)CC1	PC-id_43233710	308.399	RHAXMGUTXYQVRM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042938
N#Cc1ccc(cc1)C#CCN1CCc2c(CC1)nc(s2)N	SCHEMBL9870479,PC-id_19985760	308.401	NADOGOFHYBSBNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042939
S(c1n2CCCCCc2nn1)Cc1onc(n1)C(N)(C)C	PC-id_61655075	308.402	DONJLHPSFQDKOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042940
S(C1CCNC(=C(N)N=O)C1)c1n2CCCCCc2nn1	PC-id_76977988	308.403	RPPULHIBSACVMY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042941
S(C1NCCC(=C(N)N=O)C1)c1n2CCCCCc2nn1	PC-id_74849138	308.403	RBHSIFDLMUXGII-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042942
S(C1NC(=C(N)N=O)CCC1)c1n2CCCCCc2nn1	PC-id_77048247	308.403	AFHSJCJHBJBOCE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042943
CC(c1ccc(c2-c(c1)c(C)cc2C=C(C(=O)C)C(=O)C)C)C	PC-id_101145120	308.414	RCNGUHQUEKIBSC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042944
CCCCc1occ2c1CCCC(=C2C)C(=O)c1ccccc1	PC-id_101789550	308.414	FHAWEGNFSBUXLG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-042945
OC(=O)C=Cc1cc(C(CCC=C(C)C)C)c2-c1ccccc2	PC-id_85570842	308.414	BKXLUBDRNGNMDF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042946
c12-c(cc(c1C=CC=C(C)C#C)/C=C/C=C(/C)C#C)ccccc2	PC-id_11722819	308.416	XDLKLXSYSGSBEP-YOXNBXQNSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042947
c12-c(cc(c1C=CC=C(C)C#C)C=CC=C(C)C#C)ccccc2	PC-id_73073783	308.416	XDLKLXSYSGSBEP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042948
c12-c(cc(c1/C=C/C=C(/C)C#C)/C=C/C=C(/C)C#C)ccccc2	PC-id_9972563	308.416	XDLKLXSYSGSBEP-ISVDXZIGSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042949
c12-c(ccc(cc1C)/C=C/c1cc(c3-c(cc1)ccc3)C)ccc2	PC-id_10542849	308.416	PNFXKCOPZSBUFU-MDZDMXLPSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042950
c12-c(ccc(cc1C)C=Cc1cc(c3-c(cc1)ccc3)C)ccc2	PC-id_85178785	308.416	PNFXKCOPZSBUFU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042951
C(c1c2-c(c(c1)C)ccccc2)(c1ccccc1)c1ccccc1	PC-id_15732055	308.416	MRAHNVMFVGFVKF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-042952
C/C(=C(/c1ccc2-c1ccccc2)C)/c1ccc2-c1ccccc2	PC-id_101787875	308.416	GNZGLKSZHMNBHI-ZCXUNETKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042953
C/C(=C(c1ccc2-c1ccccc2)/C)/c1ccc2-c1ccccc2	PC-id_101787877	308.416	GNZGLKSZHMNBHI-ISLYRVAYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042954
s1c2CCCCCc2cc1C(=O)NC(C(CC)C)C(=O)[O-]	PC-id_74718094	308.416	DGFYSPFQNRFWPU-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-042955
s1c2CCCCCc2cc1C(=O)N[C@@H]([C@@H](CC)C)C(=O)[O-]	PC-id_40815373	308.416	DGFYSPFQNRFWPU-YGRLFVJLSA-M	00000000100000000100000000000010000000000000000000000000	31-01-042956
s1c2CCCCCc2cc1C(=O)N[C@H]([C@@H](CC)C)C(=O)[O-]	PC-id_40815376	308.416	DGFYSPFQNRFWPU-QMTHXVAHSA-M	00000000100000000100000000000010000000000000000000000000	31-01-042957
s1c2CCCCCc2cc1C(=O)N[C@H]([C@H](CC)C)C(=O)[O-]	PC-id_40815379	308.416	DGFYSPFQNRFWPU-IINYFYTJSA-M	00000000100000000100000000000010000000000000000000000000	31-01-042958
s1c2CCCCCc2cc1C(=O)N[C@@H]([C@H](CC)C)C(=O)[O-]	PC-id_9402227	308.416	DGFYSPFQNRFWPU-HZMBPMFUSA-M	00000000100000000100000000000010000000000000000000000000	31-01-042959
s1c2CCCCCCc2cc1C(=O)NC(C(C)C)C(=O)[O-]	PC-id_74747842	308.416	XMMOZBATOLDMPO-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-042960
s1c2CCCCCCc2cc1C(=O)N[C@@H](C(C)C)C(=O)[O-]	PC-id_41119801	308.416	XMMOZBATOLDMPO-AWEZNQCLSA-M	00000000100000000100000000000010000000000000000000000000	31-01-042961
Cc1c2-c(c(cc2C#N)C=[N+](C(C)(C)C)[O-])cc(cc1)C(C)C	PC-id_87882216,SCHEMBL5711595	308.417	QBBQNAJTIUYAJD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-042962
Cc1nc(c(o1)C)CCCNC(c1ccc2-c1ccccc2)C	PC-id_68813386,SCHEMBL3850833	308.417	UTTMSOAECWJITD-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-042963
CC(c1ccc2-c1ccccc2)NCCCc1c(C)noc1C	SCHEMBL3852154,PC-id_68813849	308.417	GKUNJNKZJPOQFE-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-042964
C/C=C/c1ccc(cc1)Cc1nc2c([nH]1)CCC(C=C2OC)C	PC-id_142922717	308.417	YXUKHYVQXKOGNA-SNAWJCMRSA-N	00000000100000110111000000000010000000000000000000000000	31-01-042965
CN1C2CCC1CC(C2)NC(=O)c1cc(c2-c1ccccc2)C	SCHEMBL9533289,PC-id_54290724	308.417	RXHXXYMKBIUUQD-UHFFFAOYSA-N	00000010100010000110000000000110000000000000000000000000	31-01-042966
CN(Cc1cccc(c1)O)CCc1c[nH]c2c1C=CC(C=C2)C	PC-id_142174012	308.417	OMJYQIFBUFGLCP-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-042967
c12CN(CCCn1nc(CO)c2)CC(C)(C)N1CCOCC1	MCULE-7808556296,EMOLS-id_55712304,PC-id_91797942	308.419	WPTSJTJCMCULKA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042968
c1(CN(C)CC2(COCCNC2)O)c2CCCCCc2[nH]n1	MCULE-1611272916,PC-id_70743203,EMOLS-id_43578001	308.419	QSQOVMOTCOUQGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042969
c1(CN(C)C(=O)NCC(C)(C)OC)c2CCCCCc2[nH]n1	EMOLS-id_82716031,MCULE-5393988143,ZINC22_426488301,PC-id_119064594	308.419	RWTOMAJNBLVKBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042970
CCC(C(C(=O)NC(c1nnc2n1CCCCC2)CC)C)O	EMOLS-id_278568237	308.419	HIRWJBUSNNNAAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042971
CC(C)CO[C@@H](C)C(=O)N[C@@H](C)c1nnc2n1CCCCC2	PC-id_93866918,ZINC22_42496957	308.419	OUUICNQBISBIMX-STQMWFEESA-N	00000000100000000101000000000010000000000000000000000000	31-01-042972
CC(C)CO[C@H](C)C(=O)N[C@@H](C)c1nnc2n1CCCCC2	ZINC22_42496958,PC-id_93866919	308.419	OUUICNQBISBIMX-QWHCGFSZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042973
CC(C)CO[C@@H](C)C(=O)N[C@H](C)c1nnc2n1CCCCC2	ZINC22_42496959,PC-id_93866920	308.419	OUUICNQBISBIMX-OLZOCXBDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042974
CC(C)CO[C@H](C)C(=O)N[C@H](C)c1nnc2n1CCCCC2	ZINC22_42496960,PC-id_93866921	308.419	OUUICNQBISBIMX-CHWSQXEVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042975
CC(COC(C(=O)NC(c1nnc2n1CCCCC2)C)C)C	EMOLS-id_31935320,MCULE-7433947347,PC-id_45818941	308.419	OUUICNQBISBIMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042976
CN(Cc1n[nH]c2c1CCCCC2)C[C@]1(O)CNCCOC1	ZINC22_77407555	308.419	QSQOVMOTCOUQGH-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042977
CN(Cc1n[nH]c2c1CCCCC2)C[C@@]1(O)CNCCOC1	ZINC22_77407556	308.419	QSQOVMOTCOUQGH-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042978
COC(CC(NC(=O)N1CCCc2c(C1)cnn2C)C)(C)C	EMOLS-id_101721399	308.419	IGQYYVGEJYLAFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042979
Nc1cccc(c1)S(=O)(=O)N1CCCCc2c1ccs2	PC-id_23120403,SCHEMBL5467639	308.419	IEDVAADZYYODSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042980
O1CCC(CC1)(CN(Cc1nn2c(c1)CNCCC2)C)CO	EMOLS-id_43167794,MCULE-4512511628,PC-id_56912801	308.419	LMSYUFRLUHHVNC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-042981
O=S(=O)(N1CCCc2c(C1)ccs2)Nc1ccccc1	PC-id_143775148	308.419	DQSFJPSRLLPUJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042982
O=S(=O)(N1CCCc2c(C1)scc2)Nc1ccccc1	PC-id_143775142	308.419	PYYSCGOABDDJFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-042983
s1c2CCCCCc2c(c1NC(=O)CSC(=O)C)C#N	PC-id_16949129	308.419	MVEVHKLVXDKQRH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-042984
N#CC(c1ccccc1CN1CC(C)Cc2c(C1)cn[nH]2)(C)C	EMOLS-id_318879707	308.421	MXFLVRVAKAALIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-042985
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCNCCn12	EMOLS-id_68932162,PC-id_118760292,MCULE-5320354136	308.422	MIWLMSCHLVXHSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042986
c1(C(=O)NCc2nnc(N)s2)cc2c(CCCCC2)s1	ZINC22_222802289,PC-id_91786864,EMOLS-id_55679635,MCULE-3780108515	308.422	BKFJQIWNDDICEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042987
Cc1nnc(s1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319907376,MCULE-7027185767	308.422	TUZLEVSSEYNBBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042988
Cc1sc2c(n1)CCCCN2C(=O)c1snc(c1N)C	MCULE-2944243778,EMOLS-id_320332571	308.422	DFNQBWZTUVRPKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042989
CCc1nnsc1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319479933	308.422	PKBFLPKGKPHEGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042990
CCc1nnsc1C(=O)Nc1nc2c(s1)CCCCC2	MCULE-1160305012,CoCoCo_4546214,EMOLS-id_25653796,PC-id_40120747,ZINC22_32885735	308.422	GWCVGOFAEPAITQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042991
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCNCC2	ZINC22_299797102	308.422	MIWLMSCHLVXHSS-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042992
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCNCC2	ZINC22_299797109	308.422	MIWLMSCHLVXHSS-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042993
CCOCCCN=C(NCCc1nnc2n1CCCCC2)N	PC-id_111039159	308.422	OCXXXKZJSIMQDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042994
CCOCCCNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111223089	308.422	GTVOWDAAPBPWPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042995
CCOCCNC(=NCc1nnc2n1CCCCC2)NCC	PC-id_111895229	308.422	VNNFCHSDAUQLLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042996
CCOCCNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111895451	308.422	BPACHHYJQAYDKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042997
CNC1C(=O)N(CCc2c1scn2)Cc1cnc(s1)C	SCHEMBL14172338,PC-id_23555072	308.422	ZCXNGSRUWBKKND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042998
CNc1nnc(s1)CC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318057192,MCULE-9797503980	308.422	IDVNTXBXZOCSGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-042999
CNc1nnc(s1)CC(=O)N1CCCCc2c1ccs2	EMOLS-id_318335523	308.422	UNBJULIBFQMLMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043000
CN=C(NCC(OC)(C)C)NCc1nnc2n1CCCCC2	PC-id_111605575	308.422	LHNDKEBNNHUGLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043001
COCCCNC(=NCc1nnc2n1CCCCC2)NCC	PC-id_110975899	308.422	CLYPBYQHPOIWCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043002
COCCCNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_110976461	308.422	ZPLJTMLEOWODOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043003
COCC(NC(=NCc1nnc2n1CCCCC2)NCC)C	PC-id_111236257	308.422	RNHNSCDZPYEKEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043004
COCCN=C(NCCc1nnc2n1CCCCC2)NCC	PC-id_110942480	308.422	VCJLCJJTFGPINA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043005
COCC(NC(=NCCCc1nnc2n1CCCCC2)N)C	PC-id_111093795	308.422	OMLQWTFPOWIJSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043006
COCC(NC(=NC)NCCc1nnc2n1CCCCC2)C	PC-id_111234719	308.422	CCLVLDQQKZDEPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043007
COCCNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_110940912	308.422	LJDIWGXPZASTSN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043008
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C[C@@H]1OCCN(C1)C(=O)NCc1cc2c(s1)CCCCC2	GD-id_ZINC51306898	308.439	POGNOKUFPTZDQL-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043031
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S(c1n2CCCCCc2nn1)CC(=O)NC1CCCCC1	PC-id_7877525	308.442	RLQYNQMCUWSGDZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043127
NC(=NCCc1nnc2n1CCCCC2)N1CCSCC1	PC-id_111039199	308.446	FNQMQKRHZBDXID-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043128
C1CCCCCc2c(CCCC1)oc(c2)/C=C/c1ccccc1	PC-id_102395418	308.457	GTBNUSCOCILNOV-WUKNDPDISA-N	00000000100000110100000000000010000000000000000000000000	31-01-043129
Cc1c2-c(c(c(c2)CC(C)C(=CC=O)C)C)cc(cc1)C(C)C	PC-id_89145461	308.457	FGVHSACUKGGWKC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-043130
O=C/C=C(/C(Cc1cc2-c(c1C)cc(ccc2C)C(C)C)C)C	SCHEMBL13674399	308.457	FGVHSACUKGGWKC-OQLLNIDSSA-N	00000010100000000110000000000010000000000000000000000000	31-01-043131
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CSC(C(=O)Nc1sc2c(c1C#N)CCCCCC2)C	EMOLS-id_110431599	308.462	JUHDOKMLTFOZQG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043133
s1c2c(CCCCC2)cc1C(=O)N1C(CCC1)C(=S)N	PC-id_64414403	308.462	HCAIHBHGIAFRIZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-043134
s1c2c(CCCCC2)cc1C(=O)NC(C1CC1)C(=S)N	PC-id_64420889	308.462	UPUGIFUFKYQEAF-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-043135
s1c2c(CCCCCC2)cc1C(=O)NN1CC[NH+](CC1)C	PC-id_9205242	308.462	ATQAPEDOKYXNBS-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-043136
CCCc1nc(CSc2nnc3n2CCCCC3)cs1	MCULE-8819942621,EMOLS-id_35698310,ZINC22_45522833,PC-id_47163459	308.465	CZNOOGKZBIFACH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043137
S(c1n2CCCCCc2nn1)C(c1sc(cc1)C)CN	PC-id_61626262	308.465	VRKDSUUZDUBPIM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-043138
S(c1n2CCCCCc2nn1)C(c1sccc1C)CN	PC-id_61626994	308.465	KSVPUSIQZZKGDO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-043139
S(c1n2CCCCCc2nn1)CCNCc1sccc1	PC-id_62579431	308.465	LQPWFBFDVVHDQE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-043140
S(C(C(N)C)c1ccsc1)c1n2CCCCCc2nn1	PC-id_61623750	308.465	QJKSHPHOGHQXJP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-043141
S(C(C(N)C)c1sccc1)c1n2CCCCCc2nn1	PC-id_61622882	308.465	QJSGIVYBJNOBQP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-043142
OC(C1CC(OC1(C)C)(C)C)c1cc2c(s1)CCCCC2	PC-id_115838830	308.479	WBVFWMXMFUFZAN-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-043143
c12c(CCCCN1CC(C)C)cc(C(=O)NC(C)(C)C)s2	EMOLS-id_97029710,MCULE-1852932550	308.482	RNKOXVUALCLISD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043144
c12N(CCCCc1cc(C(=O)N(CC)C(C)C)s2)CCC	EMOLS-id_97022894,MCULE-9243533545	308.482	IUPFYYQRRNGAEI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043145
CC(C(CCN(C(=O)c1cc2c(s1)CCCCC2)C)N)C	PC-id_81487528,EMOLS-id_301799757,MCULE-2625823123	308.482	GZVQAANJYQYBBA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043146
CC(CN1CCOCC1)NCc1cc2c(s1)CCCCC2	PC-id_104407504	308.482	KIYJPHKLMHZTMI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043147
CCN(CCNC(=O)c1sc2c(c1)CCCCCC2)CC	PC-id_112759746	308.482	GSQJVPKPTWRXPG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043148
NCC(CN(C(=O)c1sc2c(c1)CCCCCC2)C)(C)C	EMOLS-id_301856061,MCULE-9906329581,PC-id_119653721	308.482	BMYPIBMENBHVGB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043149
NNC(c1cc2c(s1)CCCCC2)CCCC1CCCO1	PC-id_105314006	308.482	FBDYQBXAMMAMOA-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-043150
O1CCN(CC1)CCCNCc1cc2c(s1)CCCCC2	PC-id_104433912	308.482	JPKAFWDXSPQBNQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043151
s1c2c(CCCCC2)cc1C(=O)N(CC(CN)(C)C)CC	PC-id_79663394	308.482	XNPMODWHBYDVEN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043152
s1c2CCCCCc2cc1C(=O)NCCN(C(C)C)CC	PC-id_56405262	308.482	KEPWGALVPKXIOA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043153
s1c2c(CCCCCCCCCC2)c(c1N)C(=O)NCC	PC-id_43174788	308.482	ZLLKTHZEQNIVBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043154
s1c2c(CCCCCCCCCC2)c(c1N)C(=O)N(C)C	PC-id_43367290	308.482	XWESGBPKIDBJJJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043155
CC(C1SCC(C1)NCc1nnc2n1CCCCC2)(C)C	MCULE-1896842273,EMOLS-id_318101130	308.485	DMUUIWPVRXBWCC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043156
CCNC(C1CCCC1)CSc1nnc2n1CCCCC2	PC-id_104755313	308.485	SHHHVBMGNQQVQF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043157
CNC(C1CCCCC1)CSc1nnc2n1CCCCC2	PC-id_104755311	308.485	NBCDYEJTYWNYEU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043158
S1CC(CC(NC(c2n3CCCCCc3nn2)C)C1)(C)C	PC-id_79953808	308.485	AHOWWEOMARHPTE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043159
S1CC(NC(c2n3CCCCCc3nn2)C)C(CC1)(C)C	PC-id_79954986	308.485	WYWMTXXHEJKMMY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043160
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S(C1CC(CCC1N)CCC)c1n2CCCCCc2nn1	PC-id_64648920	308.485	SOOXLTSZDZUEHU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043162
S(C1CC(CCC1N)C(C)C)c1n2CCCCCc2nn1	PC-id_64649114	308.485	DRLADMMJHBALBS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043163
S(C1CC(CCC1NC)(C)C)c1n2CCCCCc2nn1	PC-id_64650681	308.485	CSTOARZDUXSKBA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043164
S(C1C(CC(CC1NC)C)C)c1n2CCCCCc2nn1	PC-id_64736959	308.485	HYQRZTSLQUSANB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043165
S(C1C(C(NCCC)CC1)C)c1n2CCCCCc2nn1	PC-id_64904936	308.485	RRDIHIZTFXQHDC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043166
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c12SC(CC)C(=O)C(CC)Sc1sc(=S)s2	MCULE-5186637566,BAS-00733192,EMOLS-id_1268526,TIMTEC266458,PC-id_560558	308.527	KMVDXKMWBUTTGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043190
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c1(C(=O)Nc2ccc(cc2Cl)F)c2CCCCCc2on1	EMOLS-id_21980661,ZINC22_20436024,TIMTEC83268,PC-id_17254366,MCULE-7146692469	308.735	BQKQVWKYABMTAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043199
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C[C@H](NC(=O)c1ccc(Cl)o1)c1nnc2n1CCCCC2	ZINC22_29894015	308.763	PUFNJUGYNQWTOC-VIFPVBQESA-N	00000000101000000101000000000010000000000000000000000000	31-01-043208
Clc1ccc(o1)C(=O)NC(c1nnc2n1CCCCC2)C	MCULE-1856324580,PC-id_53514599,EMOLS-id_35699480	308.763	PUFNJUGYNQWTOC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-043209
Clc1cnn(c1)CCNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318667191	308.763	AVVGLFIRKYUNGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043210
O=C(c1ccoc1Cl)NC(c1nnc2n1CCCCC2)C	PC-id_106686093	308.763	CCPGSWMSXFPUBL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-043211
O=C(N1CCCc2c(C1)cco2)NCc1nn(cc1Cl)C	EMOLS-id_101578749	308.763	KPJIORXYJAERGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043212
O=C(NCCc1nnc2n1CCCCC2)c1ccc(Cl)o1	ZINC22_298139328,EMOLS-id_313173825,MCULE-1955610366	308.763	OQCLTOGHDPMUFW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-043213
COc1ncc(c(n1)NCc1nnc2n1CCCCC2)Cl	MCULE-1356790947,EMOLS-id_318311457	308.767	IMBMPNOBAZXPBZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-043214
O=c1n(C)ncc(c1Cl)NCc1nnc2n1CCCCC2	MCULE-4881168854,EMOLS-id_318292139	308.767	IKMMQNXIDPIACI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-043215
O=C(c1c(C)n[nH]c1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_278505987	308.767	GJRTXOWXCDJECZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043216
Cc1cc(F)c(c(c1)Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318685271,MCULE-3815258413	308.782	JOXFNLOHVSDMHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043217
Clc1ccc(c(c1)F)CNCc1nnc2n1CCCCC2	EMOLS-id_318124379,MCULE-6911248485	308.782	KFGRIJMFLCULET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043218
Clc1ccc(c(c1NCc1nnc2n1CCCCC2)C)F	MCULE-1334990767,EMOLS-id_318118483	308.782	YGWONDOCBHFDJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043219
Clc1cc(F)c(cc1NCc1nnc2n1CCCCC2)C	EMOLS-id_318206416,MCULE-7819420066	308.782	CECGEMQBLKRVHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043220
Fc1cc(CNCc2nnc3n2CCCCC3)cc(c1)Cl	EMOLS-id_318022707,MCULE-2881784645	308.782	HFSIIZHNYJCYAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043221
Cc1nc2c(s1)N(CCCC2)C(=O)c1ncncc1Cl	MCULE-3696021289,EMOLS-id_320272681	308.787	ITWCKDKSKCKNAK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-043222
O=C(c1nccnc1Cl)Nc1nc2c(s1)CCCCC2	EMOLS-id_316522618	308.787	UMJSGKNYGQLUSH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-043223
N#Cc1c(Cl)nsc1NCc1nnc2n1CCCCC2	MCULE-8618165079,EMOLS-id_318401580	308.79	COQOZVJWZDWRLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043224
N#Cc1nc(sc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318563004,MCULE-8235808053	308.79	DQUHTEBSALETAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043225
N#Cc1sc(nc1Cl)NCc1nnc2n1CCCCC2	MCULE-1218644321,EMOLS-id_318457462	308.79	WYWFVYMVUQUSQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043226
Clc1ccc(c(c1)F)C(=O)c1cc2c(s1)CCCCC2	PC-id_115791488	308.798	OPDRBBSCGLUZGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043227
Fc1ccc(c(c1)C(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_105396781	308.798	CEHKHXMQBPQJHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043228
CCC(c1[nH]cc2c1C(=O)NCC=C2)N1CCN(CC1)Cl	PC-id_142626504	308.806	KZIFBEVRFBMSIT-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-043229
Cc1nn(c(c1Cl)CNCc1nnc2n1CCCCC2)C	EMOLS-id_318375410,MCULE-5499768565	308.81	BGDSIUVJTMSBGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043230
CCn1ncc(c1C(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_115803908	308.826	WLRAIXWOPOKNDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043231
Cc1cc(N)c(cc1Sc1nnc2n1CCCCC2)Cl	PC-id_115555543	308.83	JMXDLNBTQGAPIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043232
Clc1cc(c(Sc2n3CCCCCc3nn2)cc1)CN	PC-id_62493864	308.83	OHWUVHMEJWUGCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043233
Clc1cc(CSc2n3CCCCCc3nn2)c(N)cc1	PC-id_79582682	308.83	GAAYAIJZBYFHFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043234
Clc1cc(N)c(CSc2n3CCCCCc3nn2)cc1	PC-id_62102740	308.83	IFBSNSDQJLUNQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043235
Clc1c(c(Sc2n3CCCCCc3nn2)ccc1)CN	PC-id_62495472	308.83	GUOLTPJGIGJORQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043236
Clc1cc(Sc2n3CCCCCc3nn2)ccc1CN	PC-id_62944215	308.83	UEZKZJDJMMIJCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043237
Clc1c(CSc2n3CCCCCc3nn2)ccc(N)c1	PC-id_61968754	308.83	RUBVRINSPJJYAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043238
Clc1c(CSc2n3CCCCCc3nn2)cc(N)cc1	PC-id_43350223	308.83	SFXVVMSZUROJPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043239
Clc1cc(Sc2n3CCCCCc3nn2)c(CN)cc1	PC-id_63083703	308.83	BUKXEVIYAVDPOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043240
Clc1c(CSc2n3CCCCCc3nn2)c(N)ccc1	PC-id_63746983	308.83	QUCHMGRVXHAZCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043241
Clc1c(N)cc(CSc2n3CCCCCc3nn2)cc1	PC-id_43350021	308.83	GYRRCUXTPMWTCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043242
Clc1c(Sc2n3CCCCCc3nn2)ccc(c1)CN	PC-id_63087023	308.83	AUHHFKCWJIEDOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043243
NCc1cccc(c1Sc1nnc2n1CCCCC2)Cl	PC-id_108344798	308.83	CQDQZDYTPSRCTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043244
ClC(c1sc2c(CCCCC2)c1)c1cc(c(F)cc1)C	PC-id_79747150	308.841	CNHCXRIYLFRDBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043245
ClC(c1sc2c(CCCCC2)c1)Cc1ccc(F)cc1	PC-id_63543335	308.841	HVAHDAOEVQUJHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043246
ClC(c1sc2c(CCCCC2)c1)Cc1cc(F)ccc1	PC-id_63543878	308.841	KSVAYWHGGTXFCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043247
ClC(c1sc2c(CCCCC2)c1)Cc1c(F)cccc1	PC-id_63544230	308.841	QUGJDTLTKISTDR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043248
Clc1ccc(cc1)Cc1ccc(cc2-c1ccc2C)C(C)C	PC-id_102111799	308.844	OTHZKXHOKJNOKH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-043249
Clc1cccc(c1)Cc1ccc(cc2-c1ccc2C)C(C)C	PC-id_102111805	308.844	XKOBHKKMGRAEBZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-043250
Clc1sc(Cn2cc3C(NCC)CCCCc3c2)cc1	PC-id_83212663	308.869	XXLQMFZJTDUHEX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-043251
C1CC2=C(C=C(S2)I)C(OC1)CN	PC-id_163818908	308.968	NTSNRMJIOWBCNO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043252
PPP(n1nnc2c1C(=O)N(C)CC(=O)N2)P	SCHEMBL9881444,PC-id_23592166	309.079	IJWOWFCGOHLNBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043253
CC(C)(CC(=O)NC1=CC2=C(S1)CCCCCC2)C(=O)O	PC-id_164900190	309.14	VPCKSXABHQGNBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043254
CCOC(C)/C=C
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C/C=C(C=C
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P(PP)(P)n1nnc2NCCN(Cc12)CCC	PC-id_23398352	309.165	QHEIBMJSRGKHKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043257
Cc1sc2c(n1)CC(COC2)(C)I	PC-id_142563260	309.167	LUPJROMRSGENQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043258
CC(C)(C)OC(=O)N1CCC2=C(CC1)NN=C2[Si](C)(C)C	PC-id_164762740	309.187	WEOYCQGSUMYKQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043259
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCCO	PC-id_155203709	309.205	PLEWIIUSSAPTSX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043260
CC(C)CCCNC(=O)N(C)CC1=NN=C2N1CCOCC2	PC-id_153623565	309.216	DTYUWDSKLIJIBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043261
Clc1cc(Cn2cc3C(N)CCCCc3c2)ccc1Cl	PC-id_83208700	309.234	MEZBSFCTDCKXHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043262
Clc1c(Cn2cc3C(N)CCCCc3c2)ccc(Cl)c1	PC-id_83208694	309.234	KZQUAPYANZXXNQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043263
Clc1c(Cn2cc3C(N)CCCCc3c2)cc(Cl)cc1	PC-id_83208516	309.234	JQWXZXFCVMPZJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043264
Clc1c(Cn2cc3C(N)CCCCc3c2)c(Cl)ccc1	PC-id_83208790	309.234	WCDREVRSCFEKRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043265
NC1CCCCc2c1cn(c2)Cc1cccc(c1Cl)Cl	PC-id_107307303	309.234	JGLYINSRGUTRLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043266
CC1CN(CCC2=[N+](NN=C2C1OC)C(C)(C)C)C(C)(C)C	PC-id_160495626	309.265	KJNWCOQWFFWTNO-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-043267
N#CC1CC(CN1C(=O)c1coc2c1C(=O)NCCC2)(F)F	EMOLS-id_320162071,MCULE-2625543630	309.268	JUUGQARHXGCHCP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-043268
O=C(c1ccc(c(c1F)F)O)NC1CCn2c(CC1)nnn2	MCULE-5141102796,PC-id_145904512,EMOLS-id_324025445	309.271	XZQDSDSRIUHUBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043269
O=C(c1cc(F)c(c(c1)F)O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179702	309.271	OFOTWQZKKQVRAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043270
O=C(N[C@@H]1CCc2nnnn2CC1)c1ccc(O)c(F)c1F	ZINC22_1875392870	309.271	XZQDSDSRIUHUBF-SSDOTTSWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043271
O=C(N[C@H]1CCc2nnnn2CC1)c1ccc(O)c(F)c1F	ZINC22_1875392871	309.271	XZQDSDSRIUHUBF-ZETCQYMHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043272
c1ccc(cc1)/C=C/c1noc2c1cc(cc/c/2=N/O)[N+](=O)[O-]	PC-id_135740185	309.276	CERCRWGZAJHYTK-YBKKZICASA-N	00000000100000110111000000000010000000000000000000000000	31-01-043273
c12C(=O)NCCCc1[nH]c(Cc1ccc(cc1)C(F)(F)F)n2	EMOLS-id_46615544,MCULE-6104445464,PC-id_72869530,ZINC22_95364141	309.286	MZRMKXBFVWTISW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043274
c12C(=O)NCCCc1[nH]c(Cc1cccc(c1)C(F)(F)F)n2	MCULE-4323563124,ZINC22_95386328,PC-id_72925173,EMOLS-id_46643850	309.286	YTBZWCMZZFQHKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043275
c12C(=O)NCCCc1[nH]c(Cc1ccccc1C(F)(F)F)n2	ZINC22_95376494,EMOLS-id_46631252,MCULE-3710428046,PC-id_72900299	309.286	CUONONNASOPWTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043276
c1(C(=O)Nc2ccc(c(F)c2F)F)c2CCCCCc2[nH]n1	MCULE-8274864733,EMOLS-id_335019956	309.286	JXEKHUQFJNUYQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043277
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(F)c(c(c1)F)F	EMOLS-id_318834541	309.286	SUPHWRVEKKETDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043278
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(F)c(cc1F)F	EMOLS-id_319744233	309.286	ZKYDDLQMHHRRNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043279
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(F)cc(cc1F)F	EMOLS-id_318869278	309.286	QHRNVKGUYVJUDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043280
Fc1cc(NC(=O)c2n[nH]c3CCCCCc23)cc(F)c1F	MCULE-6333197341,EMOLS-id_323250874	309.286	OPNSGMOYPGKJHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043281
C1C(c2c(NC=N1)n(cn2)CC#Cc1cc(ccc1)C(=O)[O-])O	BindingDB_PC-id_91931331,PC-id_91931331	309.299	SMSBDXBZHZVRJW-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-043282
C[C@H]1CN(Cc2c(O1)c(cs2)C(C(F)(F)F)C)C(=O)O	SCHEMBL9903396,PC-id_67959249	309.305	SSAHZKHQAIKGLH-PKPIPKONSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043283
s1c2c(OC(CN(C2)C(=O)O)C)c(C(C(F)(F)F)C)c1	PC-id_77438605	309.305	SSAHZKHQAIKGLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043284
S(c1n2CCCCCc2nn1)CC(C(F)(F)F)C(=O)O	PC-id_80997271	309.308	YBKQUIJLMHWTKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043285
S(c1n2CCCCCc2nn1)C(CC(=O)O)C(F)(F)F	PC-id_63098408	309.308	KCBQQQKNJMLJJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043286
C1CCCC/C=C/c2c(/C=C/CCCC1)nn[se]2	PC-id_101502328	309.309	BHIDWLMFIUQXFP-DCIPZJNNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-043287
CC1(C)CNC(=O)c2cn(Cc3nccn3C(F)F)nc2C1	ZINC22_634559327,EMOLS-id_320341109,PC-id_139021802,MCULE-6549070718	309.314	MLLFLIFCTPLEOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043288
Cc1[nH]nc(C(F)F)c1NC(=O)c1n[nH]c2c1CCCCC2	ZINC22_276947224,MCULE-1293253641,EMOLS-id_316881437,PC-id_138989695	309.314	XJVIVEOCRQHUIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043289
Cn1cc(c(n1)C(F)F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318681878	309.314	BDVLECZPJINGNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043290
CN(c1nccc(c1)C(F)F)Cc1nnc2n1CCOCC2	EMOLS-id_319411959	309.314	RBWIXPNXUFQIQM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043291
FC(Cn1nccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)F	EMOLS-id_319351400	309.314	FIRXXWQMXGOVMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043292
CCOC(=O)C1=CC(ON1)CC1CCCCc2noc(=O)n12	PC-id_90895102	309.318	PIEOIDVYEAZNHR-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-043293
CCOC(=O)C1=NOC(C1)CC1CCCCc2n1c(=O)on2	PC-id_9861448,SCHEMBL6796701	309.318	ICLGDALUANNLKJ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-043294
COCC[C@@H](NC(=O)c1coc2c1NC(=O)CCC2)C(=O)N	ZINC22_1875347829	309.318	TZEWUAAECKHYCE-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043295
COCC[C@H](NC(=O)c1coc2c1NC(=O)CCC2)C(=O)N	ZINC22_1875347830	309.318	TZEWUAAECKHYCE-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-043296
FC1(F)CC1n1ncc(c1)CNC1CCn2c(CC1)nnn2	EMOLS-id_319462253	309.318	KQJJHIISPBCEFM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-043297
CC1C=Cc2n(C=C1)c(nc2)C(=O)c1ccc(c(c1)C(=O)O)N	PC-id_144309787	309.319	CPOXRRDASUJWFN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-043298
O=CNc1nccc(c1)OC1=CCc2c(CC=C1)n(cc2)C=O	PC-id_143200600	309.319	QNSVXVSUCCALRW-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-043299
C1CC1CNC(=O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580208,SCHEMBL14965832	309.321	AOMUWRDEQCSASM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-043300
C1CC(C1)NC(=O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14966168,PC-id_89580457	309.321	ISNRZIJNABWLSF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-043301
C1CCN(C1)C(=O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580330,SCHEMBL14966005	309.321	NKOBZFQNJJDGLQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043302
c1(C(=Cc2cccc(c2)N(=O)=O)C#N)nnc2CCCCCn12	MCULE-5203565608,PC-id_3692107,EMOLS-id_300258885	309.323	RMQNQDLBZOPXTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043303
N#C/C(=C/c1ccccc1[N+](=O)[O-])/c1nnc2n1CCCCC2	CoCoCo_3456308,CHEMBL1495681,PC-id_15945221	309.323	YKRYZRSUDYJJBT-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043304
N#CC(=Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2	PC-id_3983860,MCULE-1734408900,EMOLS-id_300265540	309.323	YKRYZRSUDYJJBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043305
N#C/C(=Cc1ccccc1[N+](=O)[O-])/c1nnc2n1CCCCC2	PC-id_5977561,CoCoCo_3456307	309.323	YKRYZRSUDYJJBT-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043306
[O-][N+](=O)c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_78650306	309.323	RNTWHEMZQVYCSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043307
[O-][N+](=O)c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_8275281	309.323	RNTWHEMZQVYCSH-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043308
[O-][N+](=O)c1cccc(/C=C(C#N)/c2nnc3CCCCCn23)c1	CHEMBL1480386,EMOLS-id_26092803,ChEMBL-DNDi_CHEMBL1480386,CoCoCo_2593219,SPECS-id_AT-225/NB58224,PC-id_5896271	309.323	RMQNQDLBZOPXTA-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043309
[O-][N+](=O)c1cccc(/C=C(/C#N)c2nnc3CCCCCn23)c1	CHEMBL1575353,ChEMBL-DNDi_CHEMBL1575353,EMOLS-id_26445625,CoCoCo_2593218,PC-id_12005923	309.323	RMQNQDLBZOPXTA-LCYFTJDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-043310
COCCn1nc2CCN(CCn2c1=O)C(=O)CCN=[N+]=[N-]	MCULE-4875876146,PC-id_146072750,EMOLS-id_324055738	309.324	SEWIKAHEYQETAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043311
O=C(c1n[nH]c(c1)c1ccncc1)N1CCCn2c(C1)cnn2	MCULE-3694885235,EMOLS-id_320023467	309.326	AHRZVWBHMJVMQQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-043312
Fc1ccc(cc1)C(CN1CCCc2c(C1)cnn2C)(F)F	EMOLS-id_319096011	309.329	OGCIGDYSPCPDML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043313
S(c1n2CCCCCc2nn1)c1c(F)cc(cc1F)C=O	PC-id_63803882	309.334	CEMSDKMLMVGNEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043314
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)[O-]	PC-id_40531040	309.338	UELLXGZDUZWVLV-UHFFFAOYSA-L	00000000100000000100000000000010000000000000000000000000	31-01-043315
CC(C)NC(=O)C1CN(Cc2ncnn2C1)C(=O)C1(F)CC1	EMOLS-id_313723098	309.339	NSJHHUHCYTWFFS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-043316
CC(C)NC(=O)[C@@H]1CN(C(=O)C2(F)CC2)Cc2ncnn2C1	ZINC22_1565549201	309.339	NSJHHUHCYTWFFS-SNVBAGLBSA-N	00100000100000000101000000000010000000000000000000000000	31-01-043317
CC(C)NC(=O)[C@H]1CN(C(=O)C2(F)CC2)Cc2ncnn2C1	ZINC22_1614934084	309.339	NSJHHUHCYTWFFS-JTQLQIEISA-N	00100000100000000101000000000010000000000000000000000000	31-01-043318
CC(=O)NCc1nnc2CN(CCCn12)C(=O)C1(F)CCC1	EMOLS-id_313729750,ZINC22_1565551968	309.339	YAFAZRNNKCMQAC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-043319
CNCCSC1=CC(=O)Cc2c(C1=O)c(no2)C(=O)NC	PC-id_144380252	309.341	CMSLIOQCPOKVHD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-043320
COc1cnc(s1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102008772	309.347	UFUYOBDGSUNIGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043321
Cc1ccc(c(c1)F)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99300574	309.356	PTNCSJWYZUQMNO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043322
Cc1cccc(c1F)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99305867	309.356	CWMWGYMIGVUTRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043323
Cc1ccc(cc1F)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99309011	309.356	ORLNDCQLZDTSBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043324
Cc1cccc(c1S(=O)(=O)N1CCCc2c(C1)cco2)F	EMOLS-id_99304448	309.356	UBCJVZGLZKYVMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043325
Cc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cco2)F	EMOLS-id_99308930	309.356	IRKWYWQQWCPBPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043326
Cc1cc(F)cc(c1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99299311	309.356	QBWMZUZSKIEYMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043327
Fc1ccc(cc1C)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99299296	309.356	JDFAVPFFJRFTSW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043328
Fc1cccc(c1C)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99303149	309.356	FZLCHRSVQAAVRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043329
Fc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99308933	309.356	MIKTXPQYYNTSIP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043330
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(cc1)F	EMOLS-id_318992881	309.359	DQMSXXDUNJXBQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043331
Cc1cc(F)ccc1S(=O)(=O)N1CCCn2cncc2C1	MCULE-7593975552,PC-id_56892830,EMOLS-id_43101185,ZINC22_72146779	309.359	UTDVJZNZBFNICV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043332
Fc1cccc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945874	309.359	OFTCPDMZHMPHDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043333
Fc1ccccc1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945904	309.359	XSICXIMGMNHZFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043334
Fc1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945982	309.359	ZIMSERGQYLOPJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043335
O=C1CC(C1)(c1ccccc1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99616592	309.359	WVIDBTHSGMBBTG-UHFFFAOYSA-N	00001000100000110100100000000010000000000000000000000000	31-01-043336
c12CCN(CCc1[nH][nH]c2=O)C(=O)COCC1CCCCO1	PC-id_91841873,EMOLS-id_55695925,MCULE-5730180011	309.361	HHKHMUBLRRZTMK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043337
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)C(O)C(C)C	EMOLS-id_43122607,PC-id_56898034,MCULE-8125692127	309.361	KDUGYWJKQAUAGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043338
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)OC(C)(C)C	PC-id_112547163,ZINC22_261361104,MCULE-9514052040,EMOLS-id_177873488	309.361	JNINZWXOEZNOQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043339
Cc1nc(c2n1CCN(CC2)C(=O)OC(C)(C)C)C(=O)OC	PC-id_91556817	309.361	UIWBDPADZIAKLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043340
CC(C)[C@H](O)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	PC-id_95872125,ZINC22_72429657	309.361	KDUGYWJKQAUAGD-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043341
CC(C)[C@@H](O)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	PC-id_95872128,ZINC22_72429660	309.361	KDUGYWJKQAUAGD-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043342
CCn1c2c(CCCOCCCNC2=O)c(n1)CCC(=O)O	PC-id_135133506,SCHEMBL20279687	309.361	HXQGITPNQDOCQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043343
CCOC(=O)c1cc2CN(CCCn2n1)C(=O)OC(C)(C)C	MCULE-9710915331,ZINC22_95698593,EMOLS-id_45956863	309.361	SOHDLTQLRQZHBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043344
CCOC(=O)c1cnc2CCN(CCn12)C(=O)OC(C)(C)C	EMOLS-id_49433427,ZINC22_97759003,MCULE-6709175800,PC-id_118798367	309.361	NNBCUGSHQIGJSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043345
CCOC(=O)C1CN(Cc2cncn2C1)C(=O)OC(C)(C)C	EMOLS-id_50368686,PC-id_121229331,MCULE-5451013558	309.361	WLIXGQMIMFMQML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043346
CCOC(=O)c1cnn2CCCCN(C(=O)OC(C)(C)C)c12	EMOLS-id_337817250	309.361	NDOPFOJDCPWPHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043347
CCOC(=O)c1cnn2CCCN(Cc12)C(=O)OC(C)(C)C	EMOLS-id_317747690	309.361	LGWAGKGLFLMWPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043348
CCOC(=O)c1n[nH]c2c1CN(CCC2)C(=O)OC(C)(C)C	SCHEMBL17505263,PC-id_118872328	309.361	QMFMEJSDNVUTKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043349
CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2cncn2C1	ZINC22_306141965	309.361	WLIXGQMIMFMQML-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043350
CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2cncn2C1	ZINC22_306141966	309.361	WLIXGQMIMFMQML-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-043351
COCC(=O)N1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1	ZINC22_575406565	309.361	YIPUOHBWCHVHNO-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043352
COCC(=O)N1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1	ZINC22_575406566	309.361	YIPUOHBWCHVHNO-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043353
COCC(=O)N1CC(Cn2cccc2C1)OCC(=O)N(C)C	EMOLS-id_55751421	309.361	YIPUOHBWCHVHNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043354
n12cnc(C(=O)OCC)c1CN(C(=O)OC(C)(C)C)CCC2	PC-id_57635113,SCHEMBL12866911,MCULE-6748533526	309.361	TWYFXQIDUOKDKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043355
O1C(CN2CCCn3nc(cc3C2)CCC(=O)O)COCC1	PC-id_56888783	309.361	ZEAKSOXTTMAKGE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043356
OCC1(NCCOC1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_320191435,MCULE-2391032782	309.361	ZAZCRONVWZGFPV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043357
OCC(NC(=O)c1n[nH]c2c1CCCCC2)CC1OCCO1	EMOLS-id_319108786	309.361	RSCUEMHHGWSAAY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043358
O=C(COC[C@H]1CCCCO1)N1CCc2[nH][nH]c(=O)c2CC1	ZINC22_244659700	309.361	HHKHMUBLRRZTMK-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043359
O=C(COC[C@@H]1CCCCO1)N1CCc2[nH][nH]c(=O)c2CC1	ZINC22_244659701	309.361	HHKHMUBLRRZTMK-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-043360
O=C(N1Cc2c(CC(C1)(C)C)[nH]nc2C(=O)O)OC(C)(C)C	PC-id_145434920	309.361	IXUYBNNDPAFRMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043361
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)N	PC-id_40558910	309.361	NXNJBJYXBZCDGA-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-043362
c1(c(C)c2c(cc(cc2)C)o1)C(=O)N1CCCn2cncc2C1	MCULE-7535921674,EMOLS-id_43184879,PC-id_56919077,ZINC22_72174339	309.362	QAANAUWXUJIDHR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043363
c1(C(=O)c2ccc(cc2)OC)c(N)c(c2CCCCCn12)C#N	MCULE-2562370191,TIMTEC226065,EMOLS-id_15321616,GD-id_ZINC12420436,PC-id_16762468,ZINC22_12420436	309.362	ITZHJFLZPYCLCI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043364
CC1=Cc2n(CCOc3ccccc3)nc(c2CC=C1)C(=O)N	PC-id_143113940	309.362	XGKQJFHWQLCVPW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-043365
Cc1ccc2c(c1)cc(o2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670169	309.362	CJKRHOHYNDFDET-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043366
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c(o1)c(C)ccc2	EMOLS-id_319075916	309.362	CYIFDQGFVJEPFX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043367
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1oc2c(c1)c(C)ccc2	EMOLS-id_318910349	309.362	OTGUXIWDAQEZQX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043368
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cc2c(o1)cccc2	EMOLS-id_319993956,MCULE-2344492519	309.362	BNGDGDCGRWPETN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043369
Cc1oc2ccccc2c1C(=O)N1CCCc2c(cnn2C)C1	MCULE-7127353197,ZINC22_570930693,EMOLS-id_316882574	309.362	KQMZPAQFBWDTLC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043370
Cn1ncc2c1CCCN(C2)C(=O)c1oc2c(c1C)cccc2	EMOLS-id_101667368	309.362	POZCTWXJKWAMJT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043371
N#Cc1ccc(cc1)CCNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318507080	309.362	KEKAJYXSEULMGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043372
N#Cc1cccc(c1)CCNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318589599	309.362	PJFJQNYLIKADKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043373
N#Cc1cccc(c1)NC(=O)C(N1CCCc2c(C1)cco2)C	EMOLS-id_318420675	309.362	ZINBDRFYUCCMEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043374
N#Cc1ccccc1NC(=O)C(N1CCCc2c(C1)cco2)C	EMOLS-id_318544186	309.362	FENHROMQHGINKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043375
O=C(c1cc2c(o1)c(C)ccc2)N1CCCc2c(C1)cnn2C	EMOLS-id_101671310	309.362	IBZWMPONPUGZKJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043376
O=C(C1CC(=O)c2c1cccc2)N1CCCc2c(C1)cnn2C	EMOLS-id_101676557	309.362	VAAWJQPKDUXYPR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-043377
OCC#Cc1cccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319357267	309.362	VSSSVOKWJNRNDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043378
O=C(N1CCCc2c(C1)cco2)Cn1ccc2c1cccc2N	EMOLS-id_318772613	309.362	GZUPFIWQXHEBSI-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-043379
O=C(NCc1cc2ccccc2[nH]1)N1CCCc2occc2C1	ZINC22_291205036,EMOLS-id_316848098,MCULE-6270163443	309.362	IXLOQSCTPUWQNN-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-043380
c12CN(CCCn1nc(CNC(=O)OCC)c2)C(=O)N(C)C	ZINC22_95385288,PC-id_72922842,MCULE-2762853985,EMOLS-id_46642684	309.364	NMCQFLAHQHFIDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043381
COC1CN(C(C1)(C)CO)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_318323588	309.364	KUUXREPUIMVIMW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043382
COC1(COCC1)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318772397	309.364	RTDGBWPQKMAEKI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043383
COCCNC(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922473,EMOLS-id_50585799,MCULE-1913549904	309.364	UUGOYYKZNSSPRL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-043384
COCC(=O)N1CCCn2c(CN3CCOCC3)nnc2C1	EMOLS-id_44370946,ZINC22_96259700,PC-id_97519782	309.364	DXAQYNXNODYRAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043385
O=c1n2CCCCCc2nn1CC(=O)NCCC(=O)N(C)C	PC-id_55752178	309.364	QQDQUSJDODHFDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043386
OC[C@@H]1COCCN1C(=O)NCc1nnc2n1CCCCC2	MCULE-6776097781,EMOLS-id_258168414	309.364	DRDXQWQNGXWCKZ-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043387
O=C(N1CCCn2c(C1)cc(n2)N)NCC1COC(O1)(C)C	EMOLS-id_318956883	309.364	IZKMYGMSOBGGSB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043388
O=C(NCc1nnc2n1CCCCC2)NCC1OCCOC1	EMOLS-id_98081988	309.364	UWKLUWCLWWUGPZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043389
c1ccc(c2noc(NCc3n[nH]c4c3CCCCC4)n2)cc1	MCULE-5391014119,ZINC22_952871964,EMOLS-id_290048586	309.366	DZUCUJDUTOELFH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-043390
c1(C(=O)Nc2ccc3c(c2)ncn3C)c2CCCCCc2n[nH]1	EMOLS-id_50403499,PC-id_75356777,ZINC22_96231187,MCULE-1282872203,EMOLS-id_49247498,STOCK7S-46516	309.366	BQTKJYNAEDUJGC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043391
c1(C(=O)Nc2ccc3c(c2)[nH]c(n3)C)c2CCCCCc2[nH]n1	EMOLS-id_323250108,MCULE-3212427018	309.366	LDJSKMBXVGWXQC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043392
c1(C(=O)NCc2[nH]c3c(cccc3)n2)c2CCCCCc2n[nH]1	PC-id_75356664,ZINC22_96223962,STOCK7S-45872,EMOLS-id_49246264,MCULE-8898877420,EMOLS-id_50400977	309.366	HDESJUJIBAJOER-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043393
Cc1cc2c[nH]nc2c(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671361	309.366	KKLKELOZTYSZBL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043394
s1c2CCCCCc2cc1C(=O)NCC(CC)(C)C(=O)O	PC-id_81941643	309.424	UTQUWJFJEJTGCF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043670
CC1(C)Cc2n[nH]cc2CN(C(=O)c2cc3cccn3cn2)C1	ZINC22_826800638,MCULE-6982643568,PC-id_136565588,EMOLS-id_316960186	309.366	GJINODYYFRPPML-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043395
Cc1ccn2c(c1)c(cn2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674742	309.366	MCVJFZHZQIYBPW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043396
Cc1c(cnc2c1cc[nH]2)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318844087	309.366	RUMFGGPCEFIZBK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043397
Cc1cn2c(n1)cc(cc2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_316693769	309.366	KKBQETZSGFQPBF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043398
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2n(c1)c(C)nc2	EMOLS-id_319640027	309.366	OKDHTFMMGMOLEE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043399
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2n(c1C)cnc2	EMOLS-id_319881074,MCULE-4917639079	309.366	BUCKSUVABDCVRB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043400
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2c1n(C)cn2	EMOLS-id_320054384,MCULE-9333493455	309.366	HYCSQOOYPWCKSI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043401
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2c1ncn2C	EMOLS-id_318837166	309.366	ZLLODFORBFUFDQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043402
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2c1nc([nH]2)C	EMOLS-id_319518666	309.366	XRLWLGISTJKGNI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043403
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)cn2c1ncc2	EMOLS-id_319802256	309.366	RTNQEQFGKKIECJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043404
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn2c(c1)ncc2C	EMOLS-id_319748751	309.366	WOEVLBMRJQPPIY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043405
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn2c(n1)ccc(c2)C	EMOLS-id_319382884	309.366	QLTDBEBADWIJHF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043406
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn2c(n1)cccc2C	EMOLS-id_319930661,MCULE-8023746040	309.366	GLSBBAJIGDSTSC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043407
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn2c(n1)cc(cc2)C	EMOLS-id_320145697,MCULE-4544301748	309.366	ZENTYLPKUQZCHY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043408
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncn2c1cc(C)cc2	MCULE-1049736976,EMOLS-id_320201130	309.366	KPBGZHICUSGEAZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043409
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1n(C)nc2c1cccc2	EMOLS-id_318870366	309.366	HNVOJCIDXBCDQR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043410
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc2c(c1)[nH]nc2	EMOLS-id_319073986	309.366	GNVWDXYJFAOYNU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043411
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c[nH]c2c1cccn2	MCULE-4050325490,EMOLS-id_320237344	309.366	BHHDLHSEBBPNPN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043412
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1n[nH]c2c1cccc2	EMOLS-id_319151790	309.366	WGGWTNBXRUWCMU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043413
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1cnc2c1cccc2	EMOLS-id_319006285	309.366	IUXMPKPWXJOTHC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043414
CC1CN(Cc2nnc(o2)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_318936475	309.366	QCRHFMGMUUNOPT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-043415
CC1CN(Cc2onc(n2)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_319620279	309.366	MWTJBPDUQVWMGK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-043416
Cc1nnc2CCC(CCn12)NC(=O)c1ccc2cc[nH]c2c1	PC-id_91910723,EMOLS-id_50590187,MCULE-6568924349	309.366	KUXNPMGQNAJLRF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-043417
Cc1oc(nc1CN1CCCn2c(C1)cnn2)c1ccccc1	EMOLS-id_320190904,MCULE-1507024271	309.366	TXJHQZVNNSNOSU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-043418
Cn1ncc2c1CCCN(C(=O)NCc1ccc(C#N)cc1)C2	EMOLS-id_101726661,ZINC22_334057448,MCULE-7248218527	309.366	WFZUMZMJMUPBOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043419
CN(Cc1nnc2n1CCCCC2)C(=O)c1ccc(C#N)cc1	ZINC22_32865918,PC-id_40100087,CoCoCo_4453003,MCULE-2745242569,EMOLS-id_24990071	309.366	PJZCSMQNPOSAGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043420
CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1ccc(C#N)nc1	ZINC22_244817230,MCULE-5999541212,PC-id_91831893,EMOLS-id_55626480	309.366	SWUGOKRDGWZSAO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043421
n12nccc1cccc2C(=O)NCc1c2CCCCCc2[nH]n1	MCULE-8400063116,PC-id_56887211,EMOLS-id_43078117,ZINC22_72133317	309.366	OLTOKAZFMCSKQX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043422
N#Cc1ccc(cc1)C(N1CC(C)Cc2c(C1)cn[nH]2)C(=O)N	EMOLS-id_318866563	309.366	KWWIOZIEXMXLCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043423
N#Cc1cccc(c1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101726643	309.366	FIYFJDZHAPOJPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043424
N#Cc1cc(cc(c1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101858803	309.366	HKBKLIQUNVCPJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043425
N#Cc1ccc(cc1)NCC(=O)N1CCCc2c(C1)cnn2C	MCULE-2361191847,EMOLS-id_318628341	309.366	CIISKGYCQVGFNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043426
N#Cc1ccc(cc1)NCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319615682	309.366	IBCLIKONCJPIRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043427
N#Cc1cccc(c1)NC(=O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319721342	309.366	MMWUAAZHCXUFRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043428
N#Cc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101967171	309.366	AEPODSYSXKAQOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043429
N#Cc1cccc(C(=O)NCCc2nnc3n2CCCCC3)c1	EMOLS-id_24101066,CoCoCo_4663518,ZINC22_12971412,PC-id_25637064,MCULE-1923268454	309.366	MKIAZCJRKCESIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043430
N#Cc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1	PC-id_17445609,EMOLS-id_13464057,CoCoCo_4491029,MCULE-3802884431,ZINC22_14112394	309.366	RYIAHFJPZNIHQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043431
O=c1ccn(c2ccccc2)n1Cc1nnc2n1CCCCC2	MCULE-2342315141,ZINC22_685582976,EMOLS-id_316198924	309.366	NYWHYNAPSDFGSP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-043432
O=C(c1ccc2c(c1)ncn2C)N1CCCc2c(C1)cnn2C	EMOLS-id_101674706	309.366	YZAPYAFPZVRWPT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043433
O=C(c1cccc2c1nc([nH]2)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101845225	309.366	LUBDYJMBCKTJFV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043434
O=C(c1ccnc2c1cc[nH]2)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319131371	309.366	YTINCWFBEVKPLZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043435
O=C(c1cnc2n1CCCCC2)Nc1nc2c(n1C)cccc2	EMOLS-id_320096137,MCULE-5612969908	309.366	BVCJMTFWFRUSES-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043436
O=C(c1n[nH]c2c1CCCCC2)Nc1nc2c(n1C)cccc2	EMOLS-id_319382900	309.366	GXPTUXHIKBNFNV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043437
O=C(N1CCCc2c(C1)cnn2C)Cc1ccc2c(c1)cn[nH]2	EMOLS-id_101678186	309.366	JQULNGHOZHVDHC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043438
O=C(N1CCCc2c(C1)cnn2C)Cc1ccc2c(c1)[nH]nc2	EMOLS-id_101676548	309.366	GCSVMAHHQOYIPD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043439
O=C(N1CCCc2c(C1)cnn2C)Cc1n[nH]c2c1cccc2	EMOLS-id_101670203	309.366	NJAHIQODOWYHBK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043440
O=C(N1CCCc2c(C1)cnn2C)Cn1cc2c(n1)cccc2	EMOLS-id_101846392	309.366	RAQPYNKDZVSLMH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043441
O=C(N1CCCc2c(C1)cnn2C)Cn1cnc2c1cccc2	EMOLS-id_101845273	309.366	LOILOLREDMBZLV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-043442
O=C(N1CCCn2c(C1)cc(n2)N)NCC#Cc1ccccc1	EMOLS-id_318919113	309.366	MJGGDBCGDUVRKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043443
Cc1c(snn1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625441	309.367	XJZDDVBRMSPFNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043444
c1ccc(cn1)c1n[nH]c(c1)NCc1nnc2n1CCCCC2	MCULE-5434087359,EMOLS-id_319979935	309.369	OSQGMERLKZOLLW-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-043445
c1ccc(CN2Cc3nccn3C[C@H](Cn3cncn3)C2)nc1	PC-id_97463052,ZINC22_96188618	309.369	VIZPRZITKYRZRF-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043446
c1ccc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)nc1	ZINC22_96188619,PC-id_97463053	309.369	VIZPRZITKYRZRF-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043447
c1cc(CN2CCc3ncc(Cn4cncn4)n3CC2)ccn1	PC-id_97467134,EMOLS-id_44328911,ZINC22_96196990	309.369	DOFHTFPXLXRNJZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043448
c1ccc(nc1)CN1CCc2n(CC1)c(cn2)Cn1cncn1	PC-id_97467133	309.369	YZWGDZVXGJTZJQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043449
C1CCn2c(CC1)nnc2CNc1ncc(nc1)n1cccc1	EMOLS-id_318796147	309.369	GWSNPDLEJNWSMM-UHFFFAOYSA-N	00000000110000100101100000000010000000000000000000000000	31-01-043450
c1cncc(CN2Cc3nccn3C[C@H](Cn3cncn3)C2)c1	PC-id_97463054,ZINC22_96188620	309.369	FTEYFXXGPZZNOX-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043451
c1cncc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)c1	PC-id_97463055,ZINC22_96188621	309.369	FTEYFXXGPZZNOX-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043452
C(C1CN(Cc2ccccn2)Cc2nccn2C1)n1cncn1	PC-id_118743742,EMOLS-id_44326459	309.369	VIZPRZITKYRZRF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043453
C(C1CN(Cc2cccnc2)Cc2nccn2C1)n1cncn1	PC-id_118743710,EMOLS-id_44326461	309.369	FTEYFXXGPZZNOX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043454
n1ccc(cc1)CN1CCc2n(CC1)c(nn2)Cn1cccn1	PC-id_97405796	309.369	PQUIJBQUNMEZOK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043455
n1ccc(cc1)CN1CC(Cn2cncn2)Cn2c(C1)ncc2	PC-id_118746209	309.369	QXUOUVFFKFBUGW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043456
c1(NC(=O)C2CCCO2)sc2c(CCCCC2)c1C(=O)O	EMOLS-id_179129602,PC-id_84228727,MCULE-4109698310	309.381	QQMOSQPJVHTWGD-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-043457
CCOC(=O)/C=C
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CCOC(=O)C=C1CN(CCc2c1ccs2)C(=O)OCC	PC-id_66937609,SCHEMBL1193762	309.381	YHQBCJXUPBCVTA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043459
CCOC(=O)/C=C/1CN(CCc2c1ccs2)C(=O)OCC	SCHEMBL1193758	309.381	YHQBCJXUPBCVTA-PKNBQFBNSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043460
CCOC(=O)CCC(=O)CN1C(=O)CCCc2c1ccs2	PC-id_103484763	309.381	SYBJIBZSZVYMFY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043461
O=C(c1cc2c(s1)CCCCC2)NC1(COCC1)C(=O)O	EMOLS-id_71366806,PC-id_64890170,MCULE-4801348892	309.381	OUZGNBXYPYQTLJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-043462
OC(=O)C1COCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_65547570,EMOLS-id_51869860,MCULE-2288966465	309.381	XPISEOJOFVQOGG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043463
OC(=O)C1OCCN(C1)C(=O)c1cc2c(s1)CCCCC2	MCULE-5126465191,EMOLS-id_51378511,PC-id_61737708	309.381	FITVQIKXHOKAAD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043464
O=C(O)[C@H]1COCCN1C(=O)c1cc2c(s1)CCCCC2	ZINC22_88376103	309.381	XPISEOJOFVQOGG-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043465
O=C(O)[C@@H]1COCCN1C(=O)c1cc2c(s1)CCCCC2	ZINC22_88376106	309.381	XPISEOJOFVQOGG-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-043466
s1c2c(CCCCC2)cc1C(=O)N1C(CC(O)C1)C(=O)O	PC-id_43099394	309.381	WXGFLKKPMPFEAJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-043467
s1c2c(CCCCC2)cc1C(=O)N1[C@@H](C[C@@H](O)C1)C(=O)O	PC-id_29044175	309.381	WXGFLKKPMPFEAJ-MNOVXSKESA-N	00000010100000000100000000000010000000000000000000000000	31-01-043468
s1c2c(CCCCC2)cc1C(=O)N1[C@@H](C[C@H](O)C1)C(=O)O	PC-id_29044178	309.381	WXGFLKKPMPFEAJ-QWRGUYRKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-043469
s1c2c(CCCCC2)cc1C(=O)N1[C@H](C[C@@H](O)C1)C(=O)O	PC-id_29044181	309.381	WXGFLKKPMPFEAJ-GHMZBOCLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-043470
s1c2c(CCCCC2)cc1C(=O)N1[C@@H](CC(O)C1)C(=O)O	PC-id_61151651	309.381	WXGFLKKPMPFEAJ-DTIOYNMSSA-N	00000010100000000100000000000010000000000000000000000000	31-01-043471
s1c2c(CCCCC2)cc1C(=O)NC1C(COC1)C(=O)O	PC-id_66222913	309.381	YEGSWIVSFNOYSU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-043472
S(c1c2c([nH]c1C(=O)OCC)C(=O)CCCCC2=O)CC	PC-id_72546977	309.381	OYZKJFFPVRBHFC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043473
FCCCN1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278374708	309.382	LNXZLSLRGXAYOO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043474
c1(NC(=O)CN2CCOC2=O)sc2c(CCCCCC2)n1	MCULE-6003908541,ZINC22_874157375,EMOLS-id_316248101	309.384	NIXGEJWCFUFDNG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043475
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cc(oc1C)C	MCULE-8979706068,EMOLS-id_320219944	309.384	OTPCJALYKNQSRO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-043476
CC1CN(Cc2ccc(o2)S(=O)(=O)C)Cc2c(C1)[nH]nc2	MCULE-2905458456,EMOLS-id_320037889	309.384	SXAQYLCWFVSCTO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-043477
CCn1cc(nc1C)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99304463	309.384	JWSLDXLTAKGCPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043478
CC(n1cnc(c1)S(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99304442	309.384	JMYAYBYNZJMDCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043479
CC(=O)N1CCc2nc(C(=O)N3CCOCC3)sc2CC1	EMOLS-id_44325487,PC-id_97462051,ZINC22_96187593	309.384	PQDHAYZWFXYSFO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043480
NC(=O)c1nc2CCN(CCc2s1)C(=O)CC1(O)CCC1	EMOLS-id_313792054,ZINC22_1565553649	309.384	AXXMSPXDTDQUTM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-043481
NC(=O)[C@H]1CC[C@H](O1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-5692001407,EMOLS-id_320071111	309.384	JJNRLZOTVWQZDH-MNOVXSKESA-N	00000010100000000101000000000010000000000000000000000000	31-01-043482
O=C(C1OCCN(C1=O)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_316521968	309.384	ULUPACYGPLUWHG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043483
O=C(C(=O)Nc1nc2c(s1)CCCCC2)N1CCOCC1	EMOLS-id_111809368	309.384	BLRMOFCRWLXAAC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043484
O=C(NC1(C)CCOC1=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_319786192	309.384	QLZQWRDTTVPVGL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043485
OC(=O)C1CCN(C1)C(=O)Nc1nc2c(s1)CCCCC2	MCULE-2295845932,PC-id_122074619,EMOLS-id_72854255	309.384	VGSPSLFSENMUBS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043486
s1c2CCCCCCc2cc1C(=O)NC(C(=O)N)C(=O)N	PC-id_31062635	309.384	XFXIECPBIUAYRA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043487
s1c2c(N(CC3OC(CC3)C(=O)NN)C(=O)CCC2)cc1	PC-id_63749508	309.384	VBGPIEXCVOZSSA-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-043488
CC(=O)Nc1ccccc1CSc1nc2-c(n1)ccccc2	SCHEMBL10577059,PC-id_70395553	309.386	GLJSSNAOBMEVAD-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-043489
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1c(C)cnn1C	MCULE-6923738641,EMOLS-id_320043985	309.387	FJMAVMZCTAOTTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043490
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cnc(n1C)C	EMOLS-id_318821190	309.387	NUXPKYYOLGDSQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043491
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cnn(c1C)C	EMOLS-id_318834826	309.387	MHVHFWCNRJYEBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043492
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cn(nc1C)C	MCULE-3896991750,EMOLS-id_319830175	309.387	PJNOKMQFIDUBDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043493
Cc1[nH]cnc1S(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-9167780456,EMOLS-id_319899010	309.387	QKOYVXFIZBHOER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043494
Cc1nn(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_319264111	309.387	LYWXSAZEPRCYOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043495
C/C(=C(N1CCNC1=O)/O)/Sc1nnc2n1CCCCC2	CoCoCo_4173132,CoCoCo_4173135	309.387	ZIJZMIRAUHBQQN-LUAWRHEFSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043496
C/C(=C(/N1CCNC1=O)O)/Sc1nnc2n1CCCCC2	CoCoCo_4173134,CoCoCo_4173133	309.387	ZIJZMIRAUHBQQN-PKNBQFBNSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043497
CC(C(=O)N1CCNC1=O)Sc1nnc2n1CCCCC2	EMOLS-id_43423475,MCULE-7624743665,PC-id_16230163	309.387	JAHIKNIKEHIGKQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043498
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N1CCNC1=O	PC-id_25950096,CoCoCo_4173131,ZINC22_14114790	309.387	JAHIKNIKEHIGKQ-SECBINFHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043499
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N1CCNC1=O	ZINC22_14114793,CoCoCo_4173130,PC-id_25950097	309.387	JAHIKNIKEHIGKQ-VIFPVBQESA-N	00000010100000000101000000000010000000000000000000000000	31-01-043500
CCn1ncc(c1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-9903443231,EMOLS-id_320203443	309.387	ZARPWBYMSKNPHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043501
CCS(=O)(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1	PC-id_97463026,ZINC22_96188592	309.387	ASIJVPAZLKYNSM-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043502
CCS(=O)(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	PC-id_97463027,ZINC22_96188593	309.387	ASIJVPAZLKYNSM-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043503
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CCS(=O)(=O)N1CC(Cn2cccn2)Cn2ccnc2C1	PC-id_118740748,EMOLS-id_44326433	309.387	ASIJVPAZLKYNSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043505
CCS(=O)(=O)N1CCCn2c(Cn3cccc3)nnc2C1	ZINC22_96259644,PC-id_97519726,EMOLS-id_44370836	309.387	DSICITDOUUXDBR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-043506
CCS(=O)(=O)N1CCCn2nnc(Cn3cccc3)c2C1	ZINC22_96084711,EMOLS-id_46182445,PC-id_97405534	309.387	QAXYOANHXKVTCT-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-043507
Cn1cc(cn1)S(=O)(=O)NCc1n[nH]c2CCCCCc12	MCULE-5060583934,ZINC22_825658338,EMOLS-id_232849220	309.387	IVSXTDGYPBYAED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043508
CN1CCN(CC1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625574	309.387	YHKMNCGAENFEEB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043509
N#CC1(CC1)CS(=O)(=O)NCc1nnc2n1CCCCC2	EMOLS-id_99754834	309.387	BJUIELUUUIPJAN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-043510
S(c1n2CCCCCc2nn1)CC(=O)NC(=O)NC1CC1	PC-id_7876611	309.387	VCMOLDPUMJWRSK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-043511
OC(=O)c1cn(c2c1C(=CCCC2)O[Si](C)(C)C)C(=O)O	SCHEMBL6604740,PC-id_22318778	309.39	KNABCHUQWVBPCL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-043512
CCCCC(COC(=O)Cn1cc2c(c1)OCCCO2)CC	SCHEMBL3250012,PC-id_57738871	309.401	XZTNNZQFHUMBAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043513
o1nc(OC(C)C)c2C(CCCCc12)CC(=O)OC(C)(C)C	PC-id_10935787	309.401	GRJHTTSNGVIMSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043514
Cc1c2-c(c(cc2C=O)C=CC(C)(C)N=O)cc(cc1)C(C)C	PC-id_87882169,SCHEMBL5711336	309.402	WKYSXCGHXUVLIP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-043515
CC1(Cc2c(CN(C1)CC(C1(CCOCC1)O)O)cn[nH]2)C	PC-id_136562975,EMOLS-id_317757132,MCULE-2217463644	309.404	ZOIPYQBILQUXBR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043516
CCc1nn(c2c1C(=O)NCCCOCCC2)C[C@@H](C)CO	PC-id_135141675,SCHEMBL20288704	309.404	VIZWMGNRADLVSL-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043517
CCn1c2c(CCCOCCCNC2=O)c(n1)CCCCO	PC-id_135133463,SCHEMBL20279644	309.404	PRXPJWLSPCORAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043518
CCn1nnc2c1CCCCCC2OCC(=O)OC(C)(C)C	SCHEMBL20807332,PC-id_138462671	309.404	NXCKOBIWTAYAKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043519
CC(OC(=O)COC1CCCCCc2c1nnn2C(C)C)C	SCHEMBL20998792,PC-id_138631906	309.404	FPYSBYJOBYBHKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043520
OCc1cc2n(n1)CCCN(C[C@@H](O)CC1(O)CCCC1)C2	ZINC22_2325773027	309.404	KXBXULSPFYOPIM-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043521
OCc1cc2n(n1)CCCN(C[C@H](O)CC1(O)CCCC1)C2	ZINC22_2325773028	309.404	KXBXULSPFYOPIM-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043522
OC(CC1(O)CCOCC1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319892200,MCULE-8191997119	309.404	QOCCEEGXDCZRGZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043523
OC(CN1CC(C)Cc2c(C1)cn[nH]2)COC1CCOCC1	EMOLS-id_319726837	309.404	BMXWVYRULSYZRA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043524
Cc1cccc(c1)C1(CC1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318237162	309.405	CPLPHUPIRJLUJI-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-043525
Cc1ccccc1C1(CC1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318515181	309.405	CMDPWRRSCAABJT-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-043526
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318506491	309.405	ZFMYRXMRTABQEZ-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-043527
Cc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318545390	309.405	KDGDAKKIQDTNID-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-043528
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)Cc1ccccc1	EMOLS-id_319767103	309.405	CFCIFDKQYIGVOB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-043529
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c2c1CCC2)C	EMOLS-id_319325144	309.405	WURALBPYNZPYFT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-043530
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(C)CCc2c1cccc2	EMOLS-id_319694939	309.405	LCOHDSFSOSPQMM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-043531
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1CCc2c1cccc2	EMOLS-id_319704057	309.405	CCUIHAICTLPFDU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-043532
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cccc(c1)C1CC1	EMOLS-id_319887213,MCULE-3204034751	309.405	ANIBSYGXDODDAW-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-043533
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC=CCc1ccccc1	EMOLS-id_318873339	309.405	SYKYWEZRGOMQJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043534
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1C[C@H]1c1ccccc1C	EMOLS-id_318856774	309.405	NLTBYAODKLESHF-CRRZLINXSA-N	00100000100000110101100000000010000000000000000000000000	31-01-043535
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1C[C@H]1c1cccc(c1)C	EMOLS-id_319044454	309.405	YFZJGLNYSCXYLX-ZMKYACIDSA-N	00100000100000110101100000000010000000000000000000000000	31-01-043536
C=CC(c1ccccc1)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319067289	309.405	XVAGWHTUXXNMKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043537
C=CCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)c1ccccc1	EMOLS-id_319713834	309.405	ZSWHFICZAIISDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043538
C=CC(C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)c1ccccc1	EMOLS-id_319618671	309.405	ZRUYLDXWLOZACX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043539
n1c(CNC(=O)C2CCc3ccccc23)c2c(CCCCC2)[nH]1	MCULE-3163442221,EMOLS-id_222760664	309.405	RMDJWRZHXMPZCF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-043540
O=C(C1(CC1)Cc1ccccc1)N1CCCc2c(C1)cnn2C	EMOLS-id_318170964	309.405	CRSDGKPPKXILSC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-043541
O=C(c1cnc2n1CCCCC2)NC1CC1(C)c1ccccc1	EMOLS-id_318619917	309.405	ZSDCPDWXDQPQQH-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-043542
O=C(c1cnc2n1CCCCC2)NC1CC(C1)c1ccccc1	EMOLS-id_317992628	309.405	IPYXCCHQMWRDPC-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-043543
O=C(c1cnc2n1CCCCC2)NCC1Cc2c(C1)cccc2	EMOLS-id_318626809	309.405	DGEKHGOQEQYYHQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-043544
O=C(c1cnc2n1CCCCC2)NCC1CCc2c1cccc2	EMOLS-id_318531223	309.405	VWCRJPLDQBTVPP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-043545
O=C(c1cnc2n1CCCCC2)N[C@@H]1C[C@H](C1)c1ccccc1	EMOLS-id_318847668	309.405	IPYXCCHQMWRDPC-WKILWMFISA-N	00001000100000110101100000000010000000000000000000000000	31-01-043546
O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CCc2ccccc12	ZINC22_670444024	309.405	RMDJWRZHXMPZCF-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-043547
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCc2ccccc12	ZINC22_670444025	309.405	RMDJWRZHXMPZCF-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-043548
c12CN(CCC)CCCn1nc(CNC(=O)[C@H](CO)NC)c2	ZINC22_82098016,MCULE-8568325345,PC-id_70722042,EMOLS-id_44429547	309.407	UWQIWYHFWSNSJJ-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043549
c12CN(CCCn1nc(CNC(=O)COC)c2)CC(C)(C)N	PC-id_70767952,ZINC22_82137805,EMOLS-id_44445635,MCULE-3293030668	309.407	XZNIXNLQJGTREX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043550
c1(C(CC(C)C)NC(=O)CCOC)nnc2CCNCCn12	MCULE-8660571019,PC-id_118758973,EMOLS-id_68870471	309.407	BCZMZEMSRSKMPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043551
CCC(c1nnc2n1CCCCC2)NC(=O)N(C[C@H](O)C)C	EMOLS-id_318034301	309.407	AWTYSHSBPQUBIB-JHJMLUEUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043552
CC(CC(CNC(=O)NCc1nnc2n1CCCCC2)C)O	PC-id_111454065	309.407	HPJFQTWLMARFJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043553
CC(CC(CNC(=O)NCc1nnc2n1CCCCC2)O)C	PC-id_110910006	309.407	KBTAMZCHLNDDTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043554
CCC(C(CNC(=O)NCc1nnc2n1CCCCC2)O)C	PC-id_111337841	309.407	UOZPDCMQGYSJHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043555
CCCC(CNC(=O)NCCc1nnc2n1CCCCC2)O	PC-id_111337925	309.407	NFSLCOMVCDLUKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043556
CCCC(NC(=O)NCc1nnc2n1CCCCC2)(CO)C	PC-id_112044680	309.407	GRXJOPHNBOZZOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043557
CC(CCN(C(=O)NCCc1nnc2n1CCCCC2)C)O	PC-id_112347459	309.407	DASULNRPMFNIHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043558
CCCN1CCc2n(CC1)c(nn2)[C@H](NC(=O)CCOC)C	CoCoCo_1313221,CoCoCo_1313222	309.407	DAPDDXXOVWEMIM-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043559
CCCN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)CCOC)C	CoCoCo_1313223,CoCoCo_1313224	309.407	DAPDDXXOVWEMIM-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043560
CCCN1CCc2n(CC1)c(nn2)C(NC(=O)CCOC)C	ChEMBL-DNDi_CHEMBL33825073,PC-id_45200083	309.407	DAPDDXXOVWEMIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043561
CC(CN(C(=O)NCc1nnc2n1CCCCC2)C(C)C)O	PC-id_112269295	309.407	NRIIRKPXRZYUOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043562
CCCN(C(=O)NCCc1nnc2n1CCCCC2)CCO	PC-id_110895534	309.407	AEVWSWQJCAIKEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043563
CCN(C(=O)NCc1nnc2n1CCCCC2)CC(O)(C)C	PC-id_112236095	309.407	CFMLBKYOQHFGHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043564
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OC(=O)CCN(C(=O)c1cc2c(s1)CCCCC2)C(C)C	MCULE-7082565654,EMOLS-id_71352266,PC-id_60830726	309.424	XJHSCLTYRHLROE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043656
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s1c2c(CCCCC2)cc1C(=O)N1C(COC(C1)CO)C	PC-id_81209174	309.424	CVKMLFSXBPIYNA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043658
s1c2CCCCCc2cc1C(=O)NC(CC(C)C)C(=O)O	PC-id_43080850	309.424	VVXSTBYWFSVVCA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043659
s1c2CCCCCc2cc1C(=O)NC(CCCC)C(=O)O	PC-id_43387021	309.424	YSJBQGFRMHHVCM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043660
s1c2c(CCCCC2)cc1C(=O)NC(C(C)(C)C)C(=O)O	PC-id_43467846	309.424	UJDOBNYMWYRGPR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043661
s1c2c(CCCCC2)cc1C(=O)NC(CCC)(C)C(=O)O	PC-id_43619127	309.424	IEAVXLRMQIREIG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043662
s1c2c(CCCCC2)cc1C(=O)N(C(CC)C)CC(=O)O	PC-id_60829375	309.424	MNCCHRNPMUKSNS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043663
s1c2CCCCCc2cc1C(=O)N(CC(C)C)CC(=O)O	PC-id_62033174	309.424	IHWFIVZXQDEXCF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043664
s1c2CCCCCc2cc1C(=O)NCC(CCC)C(=O)O	PC-id_65218400	309.424	DPZOKUCDTWHKDC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043665
s1c2CCCCCc2cc1C(=O)NCC(C(C)C)C(=O)O	PC-id_65220509	309.424	FTUZPTGJPXECMB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043666
s1c2c(CCCCC2)cc1C(=O)N(C(C)(C)C)CC(=O)O	PC-id_79262017	309.424	VHXMEQBNPAKLHI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043667
s1c2c(CCCCC2)cc1C(=O)NC(CC)(CC)C(=O)O	PC-id_79814151	309.424	MXYIBKUDIYXNGC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043668
s1c2CCCCCc2cc1C(=O)NCC(CC)CC(=O)O	PC-id_81065654	309.424	PRSDBXUPKZXKAO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043669
s1c2CCCCCc2cc1C(=O)NC(CCC)CC(=O)O	PC-id_81973757	309.424	OFDDLHPCAPIAPI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043672
s1c2CCCCCc2cc1C(=O)NC(C(C)C)C(=O)OC	PC-id_43406192	309.424	MFGKDOMVJYCFGS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043673
s1c2CCCCCc2cc1C(=O)N(C(C)C)CC(=O)OC	PC-id_60779646	309.424	JRVMJIZCAIXIKD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043674
s1c2CCCCCc2cc1C(=O)N(CCC)CC(=O)OC	PC-id_61600842	309.424	GBPTWEOTYHTCQU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043675
s1c2CCCCCc2cc1C(=O)NCC(CCC(=O)O)C	PC-id_82010477	309.424	XHGYCDVXFFBCHC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043676
s1c2CCCCCc2cc1C(=O)NC(CCCC(=O)O)C	PC-id_82846202	309.424	JMJSAOIGUZLTRI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043677
s1c2CCCCCc2cc1C(=O)NCCCC(=O)OCC	PC-id_60655476	309.424	LKAUKJQZVCMUAL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043678
s1c2CCCCCc2cc1C(=O)N(CCCC(=O)OC)C	PC-id_60714264	309.424	XOSKKRIZBIUVMT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043679
s1c2CCCCCc2cc1C(=O)N(CC)CC(=O)OCC	PC-id_61011712	309.424	AZJPCRLHUVIAPN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043680
s1c2CCCCCc2cc1C(=O)N(CC(C)C(=O)OC)C	PC-id_61598499	309.424	TXDUWFZKMKBHJW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043681
s1c2c(CCCCC2)cc1C(=O)N(C(C)(C)C(=O)O)CC	PC-id_62819819	309.424	WEXDITSOPGFAOF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043682
s1c2CCCCCc2cc1C(=O)N(CC(C)C(=O)O)CC	PC-id_62827906	309.424	ABTGSPFPOMWEID-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043683
s1c2CCCCCc2cc1C(=O)N(CCC(=O)OC)CC	PC-id_61008150	309.424	GNBDBWPLXWQYLW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043684
s1c2CCCCCc2cc1C(=O)N(CCC(=O)OCC)C	PC-id_61794873	309.424	XCBJVKDLYLYZKL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043685
s1c2c(CCCCC2)cc1C(=O)N(C(CC(=O)O)C)CC	PC-id_62821893	309.424	YMLKYTKTZVOFFF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043686
s1c2CCCCCc2cc1C(=O)N[C@H](CC(C)C)C(=O)O	PC-id_29546762	309.424	VVXSTBYWFSVVCA-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043687
s1c2CCCCCc2cc1C(=O)N[C@@H](CC(C)C)C(=O)O	PC-id_29546764	309.424	VVXSTBYWFSVVCA-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043688
s1c2CCCCCc2cc1C(=O)N[C@@H](C(CC)C)C(=O)O	PC-id_57374729	309.424	DGFYSPFQNRFWPU-SBNLOKMTSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043689
s1c2c(CCCCC2)cc1C(=O)N[C@@H](C(C)(C)C)C(=O)O	PC-id_61145048	309.424	UJDOBNYMWYRGPR-CYBMUJFWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043690
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(CC)C	PC-id_18080755	309.424	OSJICBOPJSRVRY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043691
s1c2CCCCCc2cc1C(=O)OC(C(=O)NCCC)C	PC-id_18091177	309.424	ORFLTSNGQQJRLS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043692
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@@H](CC)C	PC-id_2668987	309.424	OSJICBOPJSRVRY-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043693
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@H](CC)C	PC-id_2668989	309.424	OSJICBOPJSRVRY-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-043694
s1c2c(CCCCC2)c(c1NC(=O)C(C)(C)C)C(=O)OC	PC-id_3456134	309.424	QYEFOBZXHNDTSH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043695
s1c2c(CCCCC2)c(c1NC(=O)CCCC)C(=O)OC	PC-id_4071869	309.424	KJNURWJMUWCFDL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043696
s1c2c(CCCCC2)c(c1NC(=O)CC(C)C)C(=O)OC	PC-id_4383826	309.424	GJFILEMABGJFBD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043697
s1c2c(CCCCC2)c(c1NC(=O)C(CC)C)C(=O)OC	PC-id_75878084	309.424	LFPXCYRLUYCFIJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043698
s1c2c(CCCCC2)c(c1NC(=O)CC)C(=O)OC(C)C	PC-id_4619557	309.424	TYGKMTPMYVNQGK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043699
s1c2c(CCCCC2)c(c1NC(=O)CC)C(=O)OCCC	PC-id_5186223	309.424	SJCUYVLVIVHYMD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043700
s1c2c(CCCCC2)c(c1NC(=O)C)C(=O)OC(C)(C)C	PC-id_76329426	309.424	KDBYFKYQJLXPIK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043701
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](CC)C)C(=O)OC	PC-id_52598464	309.424	LFPXCYRLUYCFIJ-SNVBAGLBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043702
s1c2c(CCCCC2)c(c1NC(=O)[C@H](CC)C)C(=O)OC	PC-id_52598465	309.424	LFPXCYRLUYCFIJ-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-043703
s1c2c(CCCCCC2)cc1C(=O)N1CC(OCC1)CO	PC-id_81198371	309.424	HGCHZYNCQRXJMP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043704
s1c2CCCCCCc2cc1C(=O)NC(C(C)C)C(=O)O	PC-id_43238902	309.424	XMMOZBATOLDMPO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043705
s1c2CCCCCCc2cc1C(=O)NC(CCC)C(=O)O	PC-id_43630465	309.424	NIWHFMGFHRCJOF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043706
s1c2CCCCCCc2cc1C(=O)N(C(C)C)CC(=O)O	PC-id_60830858	309.424	WSSFBXCIMCWYEP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043707
s1c2CCCCCCc2cc1C(=O)N(CCC)CC(=O)O	PC-id_61012874	309.424	YRERCAGWWLOTSK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043708
s1c2CCCCCCc2cc1C(=O)NCC(CC)C(=O)O	PC-id_65219314	309.424	SBABIMMHSWLHBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043709
s1c2CCCCCCc2cc1C(=O)NC(CC)(C)C(=O)O	PC-id_79788792	309.424	WUZXBMZOIAQYDF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043710
s1c2CCCCCCc2cc1C(=O)NCCC(C)C(=O)O	PC-id_80537337	309.424	PLQCPZKGAALVEO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043711
s1c2CCCCCCc2cc1C(=O)NC(CC)CC(=O)O	PC-id_81965637	309.424	NEFGTJDYXKDNNE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043712
s1c2CCCCCCc2cc1C(=O)N(CCCC(=O)O)C	PC-id_43092362	309.424	GNPJKEXYXPZZOT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043713
s1c2CCCCCCc2cc1C(=O)N(CC)CC(=O)OC	PC-id_61383349	309.424	VZWBZWHCJAEWHY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043714
s1c2CCCCCCc2cc1C(=O)N(C(CC)C(=O)O)C	PC-id_61818414	309.424	ZWWCLBUPYSTOMJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043715
s1c2CCCCCCc2cc1C(=O)N(C(C)(C)C(=O)O)C	PC-id_62819513	309.424	OUWMZNFDLDHRFT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043716
s1c2CCCCCCc2cc1C(=O)NCC(CC(=O)O)C	PC-id_81064606	309.424	MTKBQBZFESOQPU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043717
s1c2CCCCCCc2cc1C(=O)NC(CC(=O)OC)C	PC-id_60347447	309.424	PHVJGNZMFDYQAH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043718
s1c2CCCCCCc2cc1C(=O)N(CCC(=O)O)CC	PC-id_61006666	309.424	JTTADNUKMVHOCA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043719
s1c2CCCCCCc2cc1C(=O)N(CCC(=O)OC)C	PC-id_61030414	309.424	CZRKIJRUKYAHRP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043720
s1c2CCCCCCc2cc1C(=O)NC(C)C(=O)OCC	PC-id_61342382	309.424	XYVQAGUIRKLVIY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043721
s1c2CCCCCCc2cc1C(=O)NCCC(=O)OCC	PC-id_61806846	309.424	WHVPWAJAUJPHMX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043722
s1c2CCCCCCc2cc1C(=O)NC(CC(=O)O)(C)C	PC-id_64671079	309.424	KNAFXWGWSMCULB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043723
s1c2CCCCCCc2cc1C(=O)NCC(=O)OC(C)C	PC-id_56536482	309.424	BNDZTAFRKMNLKK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043724
s1c2CCCCCCc2cc1C(=O)N(CC(=O)OCC)C	PC-id_61600326	309.424	QWLDSIVANGTJDQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043725
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(C)C	PC-id_7618341	309.424	YNTIDSMSBYUTTD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043726
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCCC	PC-id_7618388	309.424	SRYPUVYLUMQRJQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043727
s1c2c(CCCCCC2)c(c1NC(=O)C(C)C)C(=O)OC	PC-id_3420874	309.424	IEPXUHOZHCTEPO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043728
s1c2c(CCCCCC2)c(c1NC(=O)CCC)C(=O)OC	PC-id_5112572	309.424	MCLVHVWXNWXONF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043729
s1c2c(N(CCCCCC(=O)OCC)C(=O)CCC2)cc1	PC-id_64294866	309.424	ADNKYARXYQILAU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043730
s1c2CCCCCc2cc1C(=O)NCC#Cc1ccccc1	PC-id_24615541	309.425	YODZJDLMEUTUAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043731
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CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)C1C2C1CCCC2	EMOLS-id_318977478	309.427	DYKYZGVMQPZGLO-UHFFFAOYSA-N	00100000100010000101010000000010000000000000000000000000	31-01-043734
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CC1OCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110898057	309.427	HQBNSFJWLZIJDT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043737
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CCC1COCCN1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110998651	309.427	ZIGFQSNOAYCHRM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043739
CCC1(O)CN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100974418	309.427	MHSYRKFSDNOSIF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-043740
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CC[C@@H]1OCC[C@H]1NC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_101609185	309.427	PAXBPVGUJLGICO-PWSUYJOCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043744
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CCOC1CN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101432109	309.427	CXHUFNBLPFIXIM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-043748
CCOCC1CCn2nccc2CN1C(=O)C1CCCS1	EMOLS-id_313742263	309.427	DRZIBPAGEHRCJG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043749
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S1CC(CN2CCc3ncoc3C(NC)C2=O)CCCC1	PC-id_23516868	309.427	UTALNAHWAOVTIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043852
S(C1C(CCC(C1)C)C(=O)O)c1n2CCCCCc2nn1	PC-id_63098585	309.427	GUVIXKBCVMCIHG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043853
S(C1C(CCCCC1)C(=O)O)c1n2CCCCCc2nn1	PC-id_63098584	309.427	GHWJCACIZWMSEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043854
CC(c1ccc(c2-c(c1)c(C)cc2N=Nc1nccs1)C)C	PC-id_101874333	309.429	NJDPPODDUYFZLV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-043855
NC(=O)C1CCN(Cn2nc3n(c2=S)CCCCC3)CC1	CoCoCo_3444820,EMOLS-id_24160974,MCULE-3609723846,ZINC22_13063482,PC-id_25695454,CoCoCo_3444819	309.43	NRUHUOVQJKJBOX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043856
O=C(CC1NCCSC1)NCc1nnc2n1CCCCC2	PC-id_119940793,EMOLS-id_302029576,MCULE-6105958429	309.43	RAEBSGWHAZYBCP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043857
O=C(N1CCSCC1)NCCc1nnc2n1CCCCC2	EMOLS-id_110378938,PC-id_52215991	309.43	LLVQYDBZZJYILU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043858
O=C(N1CCSCCC1)NCc1nnc2n1CCCCC2	EMOLS-id_110375680	309.43	FFGKSTIOJSSVDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043859
O=C(NC1CCCSC1)NCc1nnc2n1CCCCC2	EMOLS-id_111631085	309.43	YAZGCLRPOKTZTC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043860
O=C(NC1CCSCC1)NCc1nnc2n1CCCCC2	EMOLS-id_110309558	309.43	TZZCVTHQWUZODK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043861
S1CC(NCC1)C(=O)NC(c1n2CCCCCc2nn1)C	PC-id_82897100	309.43	GLNDPAYDZVWGAW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043862
S(C1CC(N)(CCC1)C(=O)N)c1n2CCCCCc2nn1	PC-id_79634015	309.43	JMVSZXYOEYTKED-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043863
S(C1CC(NC)(CC1)C(=O)N)c1n2CCCCCc2nn1	PC-id_79645458	309.43	SWQVSPHXFQDKLK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-043864
S(c1n2CCCCCc2nn1)CCC(=O)N1CCNCC1	PC-id_62544715	309.43	CQJYNTRUIZYPAK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043865
S(c1n2CCCCCc2nn1)CC(=O)N1CCCNCC1	PC-id_61655030	309.43	JUTYNFMMVVXQNH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043866
S=c1n2CCCCCc2nn1CN(CC(=O)NC1CC1)C	PC-id_9286029	309.43	SHOSGWDOSLLYLU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-043867
S(CC1NC(NC(=O)C1)CC)c1n2CCCCCc2nn1	PC-id_75797460	309.43	VJPRCTIAOVVWMA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043868
S(CCC(NC1CC1)C(=O)N)c1n2CCCCCc2nn1	PC-id_63034328	309.43	RDUGQVBNWYVXOR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-043869
S(CC(NC1CC1)(C)C(=O)N)c1n2CCCCCc2nn1	PC-id_61932982	309.43	AKNREBJUINAASL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-043870
S(CC(NC)(C1CC1)C(=O)N)c1n2CCCCCc2nn1	PC-id_63917872	309.43	LVILLXJQTOKVJB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-043871
S(C(C(=O)N1CCNCC1)C)c1n2CCCCCc2nn1	PC-id_61655028	309.43	PGOWLWQHJPDYFI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043872
C1CCCn2c(CC1)nnc2C(c1ccccc1)C1CCCC1	PC-id_20724876,SCHEMBL4530030	309.448	UXIDCCUEPFGFMA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-043873
CC(c1nnc2n1CCCCCC2)(c1ccccc1)C1CCC1	SCHEMBL4539612,PC-id_10335518	309.448	OWEJUCWODCVZKT-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-043874
CN(CCOCC1CN(CCN(C)C)Cc2n(C1)ncc2)C	PC-id_118741108	309.45	NITJWZFJFQLXQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043875
CC(c1nsc(n1)Sc1nnc2n1CCCCC2)(C)C	EMOLS-id_100548204	309.453	NSMHXBGEZZHOMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043876
S(c1n2CCCCCc2nn1)Cc1sc(NCC)nc1	PC-id_79774983	309.453	LGGSLTZFNZKHCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043877
c1(C(=O)OCC)c2CCCCCCCCCCc2sc1N	ZINC22_5461102,MS2_ST095742,SPECS-id_AN-153/I148239,EMOLS-id_3785041,PC-id_4565366,MCULE-9139264633,CoCoCo_6790308	309.467	UPRNBYHQTZQOLD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043878
CCCC(CNC(=O)c1cc2c(s1)CCCCC2)CCO	PC-id_103725651	309.467	KDDNZUFYJMMPPC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043879
CC(CC(CNC(=O)c1sc2c(c1)CCCCCC2)O)C	PC-id_107155300	309.467	DUAUYRNFNAGXTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043880
CCC(CNC(=O)c1cc2c(s1)CCCCC2)(CO)CC	PC-id_103843885	309.467	KGZWGAOBOURLGM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043881
O=C(c1sc2c(c1)CCCCCC2)NC(C(O)(C)C)(C)C	PC-id_103895275	309.467	DJIDZJPQXVVAKO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043882
OCCC(C(C)(C)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_103940945	309.467	XSXLTHZFIRUYAK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043883
OCCC(C(C)C)NC(=O)c1sc2c(c1)CCCCCC2	PC-id_103750777	309.467	UOVJDDCDCTUUNT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043884
OCCCCCCNC(=O)c1sc2c(c1)CCCCCC2	PC-id_103919024	309.467	BZYHFJUNSNDMIG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043885
OCCCC(CNC(=O)c1cc2c(s1)CCCCC2)(C)C	PC-id_103900080	309.467	WPGVOELRIWIBTH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043886
OCC(CCCNC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_103861443	309.467	XZTSAZKPFBQTKK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043887
OCCCCCN(C(=O)c1sc2c(c1)CCCCCC2)C	PC-id_107202335	309.467	AVQRKUTWDNVGHP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043888
OCCC(CNC(=O)c1sc2c(c1)CCCCCC2)(C)C	PC-id_103772509	309.467	CTXFEGBTAANRMM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043889
OCCC(NC(=O)c1sc2c(c1)CCCCCC2)(CC)C	PC-id_103946240	309.467	MCFJNLDIXMGMOD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043890
s1c2c(CCCCC2)cc1C(=O)N(C(CC)CC)CCO	PC-id_61582361	309.467	AWFYYSKTCVLKID-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043891
s1c2CCCCCc2cc1C(=O)NCC(O)(CC(C)C)C	PC-id_66178357	309.467	LKWIDFFSHQVQME-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043892
s1c2CCCCCCc2cc1C(=O)N(CCCC)CCO	PC-id_60742473	309.467	OWRXNGFDFKQNRR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043893
s1c2c(CCCCCC2)cc1C(=O)N(C(C)C)CCCO	PC-id_61038664	309.467	AOWSQYFNWXMREF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043894
s1c2CCCCCCc2cc1C(=O)NC(CC(C)C)CO	PC-id_61246181	309.467	AWVLYHYERRTHBN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043895
s1c2c(CCCCCC2)cc1C(=O)NC(CC)(CC)CO	PC-id_62521371	309.467	ULAUMNZMKGDNCC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043896
s1c2CCCCCCc2cc1C(=O)NCC(CCO)CC	PC-id_80303346	309.467	NGRFZOAHZZEXAR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043897
s1c2CCCCCCc2cc1C(=O)NCC(O)(CC)CC	PC-id_65113970	309.467	UMQNOXWUFRZZDZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043898
s1c2c(CCCCCC2)cc1C(=O)N(CC(O)(C)C)CC	PC-id_79377911	309.467	HMOZAAMWZMMLIM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043899
s1c2CCCCCCCCCCc2nc1CC(=O)OCC	PC-id_28942100	309.467	IVGLNQIARIEXEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043900
C=Cc1cc2c(s1)C(=C(CCC2)C)CNCc1ccccc1	PC-id_143833262	309.468	QHFXAUPFLDLHDH-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-043901
CC(c1ccc2-c1ccccc2)NCCCCc1cccs1	PC-id_68813363,SCHEMBL3850759	309.468	JROGZXGMHGEKAA-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-043902
CCCSCCCNC(=O)Cn1cc2c(n1)CCCCC2	ChEMBL-DNDi_CHEMBLC881-1132,PC-id_5309883,CoCoCo_2192314	309.47	UOMZNOSFUISTOV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043903
CCN1CCCCc2cc(sc12)C(=O)N(C)CCN(C)C	MCULE-7434367039,EMOLS-id_97044607	309.47	TZLLKFIHQLRHBC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043904
NCCCCCCC(=O)Nc1sc2c(n1)CCCCCC2	PC-id_119743793	309.47	SLLQVSSRAHZMMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043905
S(CCOC1C(CCCC1)C)c1n2CCCCCc2nn1	PC-id_60457070	309.47	QBCQGTZMWFUGKN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043906
NC(=N)C(CCCCSc1nnc2n1CCCCC2)(C)C	PC-id_106712785	309.473	ARJAUSMYXVRFLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043907
NC(=O)NN=C1CSc2c(SC1)sc(=S)s2	CoCoCo_1948635,PC-id_6618642	309.475	HDOBFASMSMJXNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043908
S1CC(=CSc2sc(=S)sc12)NNC(=O)N	PC-id_4217813	309.475	ZECWJXSICVYLNH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-043909
S1CC(=NNC(=S)N)CSc2sc(=O)sc12	PC-id_6618616	309.475	BCUOAYDDXXNKQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043910
C=Cc1c(/C=CC(C(C)C)C)n(c2c1C=CC(C=C2)(C)CC)C	PC-id_145233267	309.488	XNCCKGGRAXZEPJ-KHPPLWFESA-N	00000000100000000110000000000010000000000000000000000000	31-01-043911
n1(c2CCCCCCCCC(c(c2)c1)CC)Cc1ccccc1	PC-id_10804845	309.488	YUAIGLUSVLZKGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043912
CCCNC(c1cc2c(s1)CCCCC2)C(CCOC)C	PC-id_105044386	309.51	NWBBGQKWUPMSTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043913
CCNC(c1cc2c(s1)CCCCC2)CCC(OC)(C)C	PC-id_103031669	309.51	QDLBNWJHULPVDF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043914
CCOC(=O)c1c(=O)n(c2-c1ccc(cc2)Cl)CC(=O)O	PC-id_12852679,SCHEMBL11266861	309.702	HRGGGODKZSIEJJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-043915
Clc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102168142	309.727	NFDHAURUVSNJLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043916
Clc1ccc(c(c1)F)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168148	309.727	IZWOCJQBWBACID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043917
Fc1ccc(c(c1)Cl)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102170006	309.727	SQWFKEFCFVRMBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043918
Fc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_102176471	309.727	VCRWVWJOXBPVCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043919
Fc1cc(Cl)cc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182496	309.727	AZXUNOGXBWIXCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043920
O=C(c1cccc(c1Cl)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102158284	309.727	CSUGQPSZWYSSSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043921
O=C(c1ccc(c(c1)Cl)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102182430	309.727	OEFGELIGXYCUMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043922
O=C(c1ccc(c(c1)F)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102181020	309.727	TXDHGCOMVALIKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043923
O=C(c1cccc(c1F)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102182454	309.727	NEBBISFPGCRKBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043924
O=C(c1c(F)cccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102166360	309.727	OYWVBDHLZQIVRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043925
CCOC(=O)c1c2n(C(=CC=CC(=NC(O2)C)Cl)C)nc1	PC-id_89995002	309.748	UEDOPKSIRYKQHU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-043926
CCOC(=O)c1cnn2c1OC(C)/N=C(Cl)/C=CC=C/C	SCHEMBL15506208	309.748	UEDOPKSIRYKQHU-KOFYOPHHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-043927
CCOC(=O)c1c(Cl)c(c2-c1c([2H])cc(cc2[2H])[2H])C(=O)OCC	PC-id_101072499	309.759	SYHKOSYNMHYLPX-KCDOEIBVSA-N	00000010100000000110000000000010000000000000000000000000	31-01-043928
c12CN(CCCn1nc(CO)c2)Cc1c(cccc1F)Cl	ZINC22_221194171,EMOLS-id_50540485,PC-id_90651336,MCULE-3461016138	309.766	LWCWGFZURVHIGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043929
OCC1CCn2cncc2CN1Cc1ccc(Cl)c(F)c1	EMOLS-id_313740988	309.766	ZSUITLAEGSIUTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043930
OC[C@H]1CCn2cncc2CN1Cc1ccc(Cl)c(F)c1	ZINC22_585098624	309.766	ZSUITLAEGSIUTH-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043931
OC[C@@H]1CCn2cncc2CN1Cc1ccc(Cl)c(F)c1	ZINC22_585098625	309.766	ZSUITLAEGSIUTH-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043932
Cc1cc(F)c(c(c1)Cl)CNC1CCn2c(CC1)nnn2	EMOLS-id_318696047	309.77	BEJRVLFRLQZCFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043933
Fc1ccc(c(c1)Cl)CCNC1CCn2c(CC1)nnn2	MCULE-1535071799,EMOLS-id_318390979	309.77	DMKXHMCWTLUVIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043934
Clc1ncnc(Sc2n3CCCCCc3nn2)c1C=O	PC-id_66369021	309.775	VAUBXMIQGWQYSL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-043935
CCOC(=O)c1cnn2c1N=C(CC=C2Cl)CC(C)(C)C	PC-id_143439277	309.791	DWJKQEONJBEUNE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-043936
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(s1)Cl	EMOLS-id_319183582	309.814	YKFWRCOYKIUOOS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-043937
Clc1ccc(s1)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318764586	309.814	VNECFSXPRGKSKX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-043938
Clc1c(c(Sc2n3CCCCCc3nn2)ccc1)CO	PC-id_63814140	309.814	FGTMQUDQTSEXNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043939
Clc1cn(c(c1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319643132	309.814	RKCYEZRMBYQROG-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-043940
Clc1cnn(c1)CCC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318162096	309.814	AVVPRHNSPJCDAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043941
Clc1c(Sc2n3CCCCCc3nn2)ccc(c1)CO	PC-id_81159274	309.814	GZAZLCXCAXQECP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043942
OCc1ccc(cc1Cl)Sc1nnc2n1CCCCC2	PC-id_108301601	309.814	OWYDQGWUAGMRPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043943
OCc1cccc(c1Sc1nnc2n1CCCCC2)Cl	PC-id_108342124	309.814	AILOPYWIMJYBDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043944
OCc1ccc(cc1Sc1nnc2n1CCCCC2)Cl	PC-id_114865423	309.814	OGZOZUULHUQSSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043945
OCc1cc(Cl)ccc1Sc1nnc2n1CCCCC2	PC-id_114865421	309.814	UYKIDKARIWLSCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043946
Clc1c(nc(N)cc1)CSc1n2CCCCCc2nn1	PC-id_62885310	309.818	PQKPRTXRIUSGOS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043947
Clc1nc(c(nc1Sc1n2CCCCCc2nn1)C)C	PC-id_65577191	309.818	CUNZYMDOAZGCIZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-043948
Clc1nc(nc(c1)C)CSc1n2CCCCCc2nn1	PC-id_80663317	309.818	YGDKVNOWMXFIAD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-043949
Clc1nc(nc(Sc2n3CCCCCc3nn2)c1C)C	PC-id_63733105	309.818	KZAXZFOJMGZUAJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-043950
Clc1ncnc(Sc2n3CCCCCc3nn2)c1CC	PC-id_63733106	309.818	IQFOPNZWHCDHOX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-043951
Clc1nc(nc(Sc2n3CCCCCc3nn2)c1)CC	PC-id_80935495	309.818	BSBHWAGZTDZAHR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-043952
Clc1nnc(Sc2n3CCCCCc3nn2)c(c1C)C	PC-id_63272352	309.818	IPMIUUUIFOQQFD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-043953
NCc1ccnc(c1Cl)Sc1nnc2n1CCCCC2	PC-id_107061161	309.818	PZQLGQAFRGSILQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043954
Clc1ccc(c(c1)F)C(c1cc2c(s1)CCCCC2)N	PC-id_105022726	309.829	JDJAJMRHACLIRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043955
Fc1ccc(c(c1)C(c1cc2c(s1)CCCCC2)N)Cl	PC-id_105397306	309.829	CARPXBBEYTZQAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043956
c12ccsc1SCCN(Cc1ccccc1Cl)C2=O	CHEMBL1381846,ZINC22_1403643,MCULE-4219871669,PC-id_1488891,EMOLS-id_36799210	309.834	GZQJVVWHCKCZHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043957
c12ccsc1SCCN(Cc1ccc(cc1)Cl)C2=O	ZINC22_1402063,EMOLS-id_36798982,MCULE-5325101702,PC-id_1487595,ChEMBL-DNDi_CHEMBL1585850	309.834	UJYNFZPEJRFFRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043958
c12ccsc1SCCN(Cc1cccc(Cl)c1)C2=O	PC-id_1488897,ChEMBL-DNDi_CHEMBL1409524,MCULE-5494408606,EMOLS-id_36799212,CHEMBL1409524,ZINC22_1403650	309.834	XKCYXDSQAKMTPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043959
ClC1CCC(CC1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318980176	309.834	IPGCWVVFFJNCIW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043960
Clc1ccc(NNC2=NCCSc3sccc23)cc1	PC-id_10566883	309.837	QWRFJHDADXEOHM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-043961
C=C(Cl)CN1CCN(Cc2nnc3n2CCCCC3)CC1	EMOLS-id_31953737,PC-id_51080660,MCULE-3285631592,ZINC22_46055180	309.838	BADFWAVPPSVPOX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-043962
CCn1ncc(c1C(c1cc2c(s1)CCCCC2)N)Cl	PC-id_105040897	309.857	RVHZOVOPIAIIQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043963
CNC(c1c(Cl)cnn1C)c1cc2c(s1)CCCCC2	PC-id_105046673	309.857	ATGCVBGAVHNVQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043964
COC1=NC2=C(S1)CCN(CC2)I	PC-id_148165317	309.964	KBMKGHKAJDVFMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043965
Brc1c2-c(c(Br)c1)ccc(cc2)C#C	PC-id_11449732	309.984	NGAGFNGWODJWTF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-043966
C1CC2=NN(C=C2C(=O)NC1)CC3=C(C=C(C=N3)Cl)Cl	PC-id_154740928,MCULE-1607020566,EMOLS-id_317773215	310.039	JAFBAQHRUHXHDU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-043967
Brc1c2CCCCCc2sc1Br	PC-id_71670776	310.049	DMHMKHZZMHNZLN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043968
CC(=O)CC1=NC2=C(S1)CCN(CC2)C(=O)OC(C)(C)C	PC-id_160522879	310.135	QUMXCGDXIYFHFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043969
P(PP)(P)n1nnc2OCCN(Cc12)CCC	PC-id_23398353	310.15	BGGBUYPLNFJYLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043970
C=CCCCCCCCCOC1COC2=CSC=C2OC1	PC-id_153494061	310.16	HNLXWLMGONZYEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043971
CCOC(=O)C1=C2CCN(CCN2N=N1)C(=O)OC(C)(C)C	PC-id_165367082	310.164	YVUXTGZUXBULQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043972
Cc1cc2c(s1)CCCCC2(F)I	SCHEMBL19981791,PC-id_134355398	310.17	XTXUURQGRCMAEP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043973
Cc1cc2c(s1)C(CCCC2)(F)I	SCHEMBL19981888,PC-id_134355479	310.17	WQZUZMNKJUUBCD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043974
CC1(CCCCc2c1cc(s2)I)F	PC-id_134355228,SCHEMBL19981595	310.17	RQRSBPJHULRMLW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-043975
CC(c1ccc(c2-c(c1)c(C)cc2)C)I	SCHEMBL12515665,PC-id_68303863	310.173	IOQAPKOUAPNSJY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-043976
Ic1c2-c(ccc(C(C)(C)C)cc2)cc1	PC-id_85773799	310.173	YXCODAHXPBJQQM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-043977
Brc1c(/C=C/c2ccccc2)nc2-c1ccccc2	PC-id_101450298	310.188	UXAMOJMYWLDATF-VAWYXSNFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-043978
Brc1cn[nH]c1CN1CCCc2c(C1)cnn2C	MCULE-8337965308,EMOLS-id_320113306	310.193	OWFYXAJYEVGLSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043979
CC(C)[Si](C(C)C)(C(C)C)OC1=NNC2=C1CCOCC2	PC-id_153520902	310.208	XQHYRRFEXSKKBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043980
Clc1cc(Cn2cc3C(O)CCCCc3c2)ccc1Cl	PC-id_83208890	310.218	JSZQPKIDWRWKOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043981
Clc1c(Cn2cc3C(O)CCCCc3c2)ccc(Cl)c1	PC-id_83207956	310.218	OMKMEMDTXNQUDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043982
Clc1c(Cn2cc3C(O)CCCCc3c2)cc(Cl)cc1	PC-id_83208791	310.218	VYHDPLSPEBFGJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043983
Clc1c(Cn2cc3C(O)CCCCc3c2)c(Cl)ccc1	PC-id_83208563	310.218	CKGYHZQGTJLDLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043984
OC1CCCCc2c1cn(c2)Cc1cccc(c1Cl)Cl	PC-id_107307238	310.218	CPYGYSRRMZQZLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-043985
Cc1nn2CCCNCc2c1Cc1cc(cc(c1)Cl)Cl	SCHEMBL16100345,PC-id_90461000	310.222	DRTWMZGHEOFWNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043986
O=c1nc2-c(n1Cc1nnn(n1)CC(F)(F)F)ccccc2	EMOLS-id_319849929,MCULE-5513496695	310.235	CUTQUKLPKHJSCJ-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-043987
CC(C)n1c2c(CCN(CC(C2OC)OC)C(C)(C)C)nn1	PC-id_163564526	310.237	FUBILYZUAWNOGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043988
c1(C(=O)Nc2cc(F)c(c(F)c2)F)c2CCCCCc2on1	STOCK6S-87684,ZINC22_36354745,EMOLS-id_29922029,MCULE-7163510485,PC-id_45491665	310.271	DBUCTSLHXBEGBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043989
O=C(c1ccncc1C(F)(F)F)N1CCCc2occc2C1	ZINC22_290657844,MCULE-4012811909,EMOLS-id_177245554	310.271	NTRZKXBAEUDGNZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-043990
O=C(c1ccc(C(F)F)c(F)c1)N1CCCn2nncc2C1	ZINC22_829602003,MCULE-2341099382,EMOLS-id_316972211	310.274	VXLJALVUECHTBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043991
C1Cn2cc(nc2OCCN1CC1CN(C1)C(=O)[O-])[N+](=O)[O-]	SCHEMBL14966148,PC-id_89580440	310.286	MGUKERVCKWALKQ-UHFFFAOYSA-M	00001000100000000101000000000010000000000000000000000000	31-01-043992
O[C@H](CN(c1ccc2-c(cc1)ccc2)O)CNC(=O)C(F)F	PC-id_143555083	310.296	LIOIUNARDZVVME-ZDUSSCGKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-043993
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)noc1C(F)F	EMOLS-id_319135162	310.299	IJXNNKHENIYXCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043994
FC(Cn1ccc(n1)NC(=O)N1CCCc2c(C1)cco2)F	EMOLS-id_318385782	310.299	UIYLEOWVMKEXOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043995
FC(Cn1ncc(c1)NC(=O)N1CCCc2c(C1)cco2)F	EMOLS-id_318650405	310.299	QEFPBNBCINCXLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043996
O=C(N1CCCc2c(C1)cco2)NCc1nccn1C(F)F	EMOLS-id_318550974	310.299	RPMJYNWBFZPUED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-043997
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)C(=O)O	PC-id_10804867,BindingDB_PC-id_10804867,CHEMBL290684	310.306	NPSZSLTWVAUNIG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-043998
N#Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)O	SCHEMBL7841051,PC-id_19611816	310.307	PASCELQHJKHBTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-043999
O=c1c2n(nc(c2cccc1)C)CNc1ccc([N+](=O)[O-])cc1	PC-id_10063976	310.307	JBHLWSALDRXRPG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-044000
O=c1c2n(nc(c2cccc1)C)CNc1cc([N+](=O)[O-])ccc1	PC-id_9995521	310.307	WWXUFJRUKKIZGH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-044001
O=c1n(ccc2-c(nc(n2)N)c1C(=O)c1ccc(OC)cc1)C	PC-id_24828885	310.307	VAHRXMPSLFHYEM-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-044002
O=C1N(CCCn2nc(cc12)C(=O)O)Cc1ccc(cc1)C#N	PC-id_19611814	310.307	WIXKNLDJJKLBPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044003
O=C(O)c1cccc(C#CCn2cnc3c2NC=NCC3O)c1	CHEMBL1206570,PC-id_10782782	310.307	SMSBDXBZHZVRJW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-044004
c1(c2ccco2)noc(CN2CCCn3nc(C#N)cc3C2)n1	ZINC22_65429730,EMOLS-id_32410302,MCULE-5500023360,PC-id_50970399	310.311	GWNPJMWUFRNJGN-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-044005
CCC(=O)O[C@H](C(F)(F)F)c1cc(c2-c1c(C)cccc2)C	PC-id_101151973	310.311	LIUWZVDZXXQXPL-INIZCTEOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044006
FC(c1cccc(c1)NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_317300986,MCULE-8938028502,PC-id_7523866	310.317	MTPKBLKLVROKEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044007
FC(c1ccccc1NCc1nnc2n1CCCCC2)(F)F	MCULE-1981770043,EMOLS-id_318181335	310.317	DNWQIFUORPSTCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044008
FC(c1ccc(cc1)NCc1nnc2n1CCCCC2)(F)F	MCULE-2523370513,EMOLS-id_318284659	310.317	GWTQIFPTULJLGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044009
FC(c1ccc(cn1)NCc1cnc2n1CCCCC2)(F)F	MCULE-2983187759,EMOLS-id_318501399	310.317	FYRBPDPJBULZJD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044010
FC(c1ccc(nc1)NCc1cnc2n1CCCCC2)(F)F	MCULE-1208773439,EMOLS-id_318606442	310.317	ADEPYZKTPKONOM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044011
FC(c1ccnc(c1)NCc1cnc2n1CCCCC2)(F)F	EMOLS-id_318561444,MCULE-8027190900	310.317	FYDBTDZKGPAPDS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044012
FC(c1cncc(c1)NCc1cnc2n1CCCCC2)(F)F	MCULE-6808389051,EMOLS-id_318620627	310.317	CHEMMKNTZWBKSG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044013
FCC1(CCN(C1)C(=O)c1noc2c1CCCCC2)C(=O)O	EMOLS-id_319921377,MCULE-7867393623	310.321	BPFMCHAEWKLUDB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-044014
F[C@H]1COC[C@H]1NC(=O)c1coc2c1C(=O)NCC(C2)(C)C	EMOLS-id_319733828	310.321	SSAKENLWEMDNNU-VHSXEESVSA-N	00000010100000000100000000000010000000000000000000000000	31-01-044015
N#CC(=Cc1ccc(cc1)F)C(=O)N1CCCc2c(C1)cco2	MCULE-9995675406	310.322	FSEWKFLPJBPCOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044016
N#CC1=CN(CC(c2c1cn[nH]2)(C)C)C(=O)c1ccc(cc1)F	PC-id_121358824,SCHEMBL17777892	310.326	OWEILICHCSPGHL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-044017
N#CC1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(cc1)F	PC-id_121358876,SCHEMBL17777948	310.326	YBPKPZVVTWZAKQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-044018
c12C(=O)NCCCc1nc(NC(=O)CN1CCOC1=O)s2	MCULE-2653915109,EMOLS-id_50139277,ZINC22_211131723,PC-id_72720033	310.329	QYHDOFQZWNVICE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-044019
S(=O)(=O)(c1oc(c2c1CCCCCC2)C(F)(F)F)CC	PC-id_10267388	310.332	LTCUOHDQDXYGCE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044020
Fc1cc(F)c(cc1C(=O)c1cc2c(s1)CCCCC2)F	PC-id_103301287	310.334	JXSTVBJSPKKDOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044021
O=C(c1ccc(c(c1F)F)F)c1cc2c(s1)CCCCC2	PC-id_114971658	310.334	IDTAENMILGXWOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044022
s1c2CCCCCc2cc1C(=O)c1c(F)cc(F)cc1F	PC-id_43462933	310.334	FYERLBVTXOIMLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044023
O=C(c1cc2-c(c1)ccccc2)C(=O)c1cc2-c(c1)ccccc2	PC-id_10979817	310.345	BQQOBOILDMLJIM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044024
O=C(c1ccc2-c(cc1)ccc2)C(=O)c1ccc2-c(cc1)ccc2	PC-id_15496575	310.345	MUNMRJQTSRBCHL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044025
O=CC1=CC(=Cc2c3-c(c(c2)C=O)ccccc3)c2c1cccc2	PC-id_24741060	310.345	BKVSFNXHMPDFIU-UHFFFAOYSA-N	00000011100000100110000000001010000000000000000000000000	31-01-044026
O=C(C(=O)c1ccc2-c1ccccc2)c1ccc2-c1ccccc2	PC-id_101845454	310.345	FCGPRPWUYQQDPK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044027
COCC(NC(=O)c1noc2c1CCCCC2)(CC(=O)O)C	PC-id_120532299,MCULE-5663166942,EMOLS-id_72343214	310.346	JRFVDDMGAIANFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044028
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cncc(c1)F	EMOLS-id_319955461,MCULE-8205771109	310.347	SVYVRABAAGOVLI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044029
Cc1ccc(c(c1)F)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316707070	310.347	NTMHWTBSZUVHMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044030
Cc1ccc(c(c1)S(=O)(=O)N1CCCn2c(C1)cnn2)F	MCULE-8218063476,EMOLS-id_319817934	310.347	HSHXUBGHBDVJPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044031
COC1CN(Cc2cccn2C1)C(=O)c1cc2ccccc2o1	EMOLS-id_50014162	310.347	FEYJOWCKGFSLLH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044032
CO[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cccn2C1	ZINC22_247824418	310.347	FEYJOWCKGFSLLH-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044033
CO[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cccn2C1	ZINC22_247824421	310.347	FEYJOWCKGFSLLH-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044034
Fc1ccccc1CS(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316708094	310.347	LUOCXEBGVKCTPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044035
Fc1cccc(c1C)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319522813	310.347	FYPWHXWGQHIGOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044036
Fc1cncc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948403	310.347	DXJNXQRBDWYWEL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044037
O1C(Cn2c3c(cc2)C(=O)CCN(C3=O)Cc2ccccc2)C1	PC-id_20085245,SCHEMBL6993103	310.347	PUFYKSNENYNHFX-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-044038
O=C(c1coc2c1C(=O)NCCC2)Nc1cccc(c1)C1CC1	EMOLS-id_318891471	310.347	YJXDZAJHXQRDEN-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-044039
O=C(N1CCCc2c(C1)cco2)CC1NC(=O)c2c1cccc2	EMOLS-id_319033140	310.347	QUZHPMZTOJGMPQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-044040
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)[C@@H](COC)N	MCULE-8707070447,ZINC22_72438731,PC-id_56902034,EMOLS-id_43135976	310.349	WPFNLCXSFMIJNW-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044041
c12CN(CCCn1nc(CNC(=O)OCCOC)c2)C(=O)C	MCULE-6908688786,ZINC22_82091214,PC-id_70710403,EMOLS-id_44425467	310.349	GHBZCUKLRDJILS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044042
CCOC(=O)c1n2c(CCN(C(=O)OC(C)(C)C)CC2)nn1	ZINC22_223862374,MCULE-3102819357,PC-id_89798385,SCHEMBL15249483,EMOLS-id_50369057	310.349	IOKMKAQXJTXHID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044043
CCOC(=O)c1nc2n(n1)CCN(CC2)C(=O)OC(C)(C)C	SCHEMBL17112988,PC-id_118394547	310.349	QBQAEYBKYFMRCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044044
CCOC(=O)c1nnn2c1CN(C(=O)OC(C)(C)C)CCC2	EMOLS-id_32233852,PC-id_71305487,MCULE-8749985920,ZINC22_91303027	310.349	DGRCLCYNTBCWPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044045
O(C(C)(C)C)C(=O)N1CCCn2c(nnc2C(=O)OCC)C1	PC-id_71305488	310.349	HXYMHNRYJDQPAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044046
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)C(N)COC	PC-id_76436648	310.349	WPFNLCXSFMIJNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044047
O=C(OC(C)(C)C)N[C@H]1COc2c(NC1=O)cnn2C(C)C	SCHEMBL18365970	310.349	PZOGACHWUWCHCX-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-044048
c1(C(=Cc2ccc(c(OC)c2)O)C#N)nnc2CCCCCn12	EMOLS-id_300306582,MCULE-3941319638	310.35	HWAIKVIKRBUGSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044049
C1CCc2nnc(n2CC1)/C(=C(/COc1ccccc1)O)/C#N	ChEMBL-DNDi_CHEMBL1542259,CoCoCo_3735935,CHEMBL1542259,PC-id_135439860	310.35	ZDFIAPSOOAXTIB-PFONDFGASA-N	00000000100000110101000000000010000000000000000000000000	31-01-044050
c1cn(c(=O)c(c2-c1nc(n2)NC)Cc1ccc(cc1)OC)C	PC-id_25215339,CHEMBL1277778	310.35	IBGWRMJDTJMYEV-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-044051
c1(nnc2CCCCCn12)C(=Cc1ccc(O)cc1OC)C#N	MCULE-2217504063,PC-id_136260400	310.35	YVXLJJZURQBGEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044052
Cc1ccc2c(n1)cc(o2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671409	310.35	ILKUDTDPOJIQNI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044053
Cc1nc2c(o1)cccc2NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319095448	310.35	OWPXYOHBHZABTQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044054
Cc1oc2c(n1)cc(cc2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101676614	310.35	ZQAWUALPIGWVKI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044055
Cc1oc2c(n1)c(ccc2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101676617	310.35	XAZRVLJREMBTSY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044056
COc1c(ccc(c1)/C=C(C#N)/c1nnc2n1CCCCC2)O	PC-id_135576432,CoCoCo_2593223	310.35	HWAIKVIKRBUGSX-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044057
COc1cc(ccc1C#N)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318855317	310.35	NNUPCYWAFJPKJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044058
COc1ccc(cc1C#N)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318791451	310.35	ZDVAPSXGRDSLKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044059
COc1cccc(c1NC(=O)c1cnc2n1CCCCC2)C#N	EMOLS-id_318516676	310.35	DRJHOKIKEZVFOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044060
COc1c(C)cc(cc1C)Cc1c(=O)nccc2c1nc([nH]2)N	PC-id_118899488	310.35	FSSMTEWENYLWES-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-044061
COc1c(C)cc(cc1C)Cc1c(=O)[nH]ccc2-c1nc(n2)N	SCHEMBL17537649	310.35	ZLDJBMJWOREQTK-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-044062
COc1cc(/C=C(/C#N)c2nnc3CCCCCn23)ccc1O	PC-id_135793926,CoCoCo_2593222,CK1980323,EMOLS-id_26445651	310.35	HWAIKVIKRBUGSX-LCYFTJDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-044063
COc1cc(O)ccc1/C=C(C#N)/c1nnc2CCCCCn12	PC-id_136266116,EMOLS-id_45974041	310.35	YVXLJJZURQBGEU-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044064
COc1nn(c2c1CCCN(C2)C(=O)c1ccc(cc1)C#N)C	PC-id_97410076	310.35	AYDCGFVSODLIDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044065
COCC1CN(Cc2nccn2C1)C(=O)c1cccc(c1)C#N	EMOLS-id_44325797	310.35	OEBVTWJUECQFQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044066
COC[C@@H]1CN(C(=O)c2cccc(C#N)c2)Cc2nccn2C1	PC-id_97462220,ZINC22_96187765	310.35	OEBVTWJUECQFQV-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044067
COC[C@H]1CN(C(=O)c2cccc(C#N)c2)Cc2nccn2C1	ZINC22_96187764,PC-id_97462219	310.35	OEBVTWJUECQFQV-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044068
N#Cc1ccc(c(c1)NC(=O)c1cnc2n1CCCCC2)OC	EMOLS-id_318689723	310.35	ITJORWQHJQAJIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044069
N#Cc1cccc(c1)OCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319367542	310.35	MARKUAABXXOLIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044070
N#Cc1ccc(cc1)OCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320131358,MCULE-4171301829	310.35	VXLIQNNJSMAACV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044071
N#Cc1ccc(c(c1)OC)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318494378	310.35	OTVRSUKLGRYXDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044072
N#C/C(=Cc1ccc(c(c1)O)OC)/c1nnc2n1CCCCC2	CoCoCo_3456402,PC-id_7481095	310.35	HHWOOFSEIWGWEL-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044073
N#C/C(=C/c1ccc(c(c1)O)OC)/c1nnc2n1CCCCC2	CoCoCo_3456403	310.35	HHWOOFSEIWGWEL-LCYFTJDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-044074
N#CC(=Cc1ccc(c(c1)O)OC)c1nnc2n1CCCCC2	PC-id_72084734,EMOLS-id_26092919,MCULE-9991843881	310.35	HHWOOFSEIWGWEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044075
N#C/C(=C(/COc1ccccc1)O)/c1nnc2n1CCCCC2	CoCoCo_3735936	310.35	ZDFIAPSOOAXTIB-CCEZHUSRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044076
N#CC(=C(COc1ccccc1)O)c1nnc2n1CCCCC2	MCULE-5163642091,EMOLS-id_26168810	310.35	ZDFIAPSOOAXTIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044077
N#CC(C(=O)c1noc2c1CCCCC2)c1cc(C)nc(n1)C	EMOLS-id_101031757	310.35	XDEYHVPXOSXFDM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-044078
N#C[C@@H](C(=O)COc1ccccc1)c1nnc2n1CCCCC2	CoCoCo_3735937,ZINC22_60320382	310.35	RRYVPLFOSHGRPP-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044079
N#C[C@H](C(=O)COc1ccccc1)c1nnc2n1CCCCC2	PC-id_2320500,ZINC22_3190751,CoCoCo_3735938	310.35	RRYVPLFOSHGRPP-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044080
O(C1=C/C(=C/C(=C/N3CCCCCC3=NN2)/C#N)/C=CC1=O)C	PC-id_6264326	310.35	JBCQFDULVSWLJT-XTPUDKEYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-044081
O(C1=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=CC1=O)C	PC-id_66557340	310.35	JBCQFDULVSWLJT-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-044082
O(C1=CC(=O)C=CC1=CC(=C1N2CCCCCC2=NN1)C#N)C	PC-id_51485077	310.35	QVBAOAGCBOXPQV-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-044083
O=c1nc2-c(n1Cc1noc(n1)C1CCCCC1)ccccc2	EMOLS-id_319795406	310.35	CQPOLMIKKXIGSC-UHFFFAOYSA-N	00000010100010000111100000000010000000000000000000000000	31-01-044084
O=C1NCc2ccc(NC(=O)c3n[nH]c4c3CCCCC4)cc12	PC-id_91652278,EMOLS-id_50358965,ZINC22_170090072,MCULE-2870466036	310.35	SQLKKDFEWSZSOW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044085
O=C1N(CCc2nn3CCCCCc3n2)C(=O)c2c1cccc2	PC-id_10733742	310.35	QVDHHMQNLBEQNB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044086
O=C(C1CCc2n(CC1)cnn2)NCc1cc2c(o1)cccc2	EMOLS-id_320141839,MCULE-7141585048	310.35	AEVRVGKHRHHKIX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044087
O=C(c1cnc2n1CCCCC2)NCc1oc2c(c1)cncc2	EMOLS-id_319141488	310.35	TYUKEUXERLRJDG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044088
O=C(c1n[nH]c2c1CCCCC2)NCc1oc2c(c1)cncc2	EMOLS-id_319325845	310.35	ZXQXXLBUPSFHMS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044089
O=C(c1noc2c1CCCCC2)Nc1cc(C)c2c(c1)[nH]nc2	EMOLS-id_101036596	310.35	IREWRWIGSYEJTD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044090
O=C(c1noc2c1CCCCC2)Nc1nc2c(n1C)cccc2	EMOLS-id_320241083,MCULE-8424297378	310.35	NPXAGKWNGBALBX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044091
O=C(c1noc2c1CCCCC2)NCc1nc2c([nH]1)cccc2	EMOLS-id_100693082	310.35	LYUTWWSQKPBYSC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044092
O=C(c1onc2c1cccc2)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319844437	310.35	AHQBMUGGOQAPRT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044093
O(CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N)c1ccccc1	PC-id_16195972	310.35	KSLXXAXXVQDYHL-SAPNQHFASA-N	00000011000000110111000000000010000000000000000000000000	31-01-044094
O(CC(=O)C(c1n2CCCCCc2nn1)C#N)c1ccccc1	PC-id_26879059	310.35	RRYVPLFOSHGRPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044095
O(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1ccccc1	PC-id_6801011	310.35	KSLXXAXXVQDYHL-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-044096
O=C(N1CCCc2c(C1)cco2)Cn1nc(c2c1nccc2)C	EMOLS-id_320289396,MCULE-3579364404	310.35	DHLUMQCMNFZBMU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044097
O=C(N1CCCc2c(C1)cnn2C)Cc1noc2c1cccc2	EMOLS-id_101847820	310.35	BVEYRVOUSXTDJK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044098
c12CN(CCCn1nc(CNc1cccc(n1)C#N)c2)C(=O)C	EMOLS-id_44442981,ZINC22_82133906,MCULE-6788193267,PC-id_70760356	310.354	TZEGSMSNBWBYKR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044099
c12CN(CCCn1nc(CNc1cc(ccn1)C#N)c2)C(=O)C	EMOLS-id_44452119,PC-id_70786660,ZINC22_82166758,MCULE-1776135711	310.354	DXYIHQXWTQGTDR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044100
c12CN(CCCn1nc(CNc1ccc(cn1)C#N)c2)C(=O)C	ZINC22_82114811,MCULE-6716718116,EMOLS-id_44436783,PC-id_70742432	310.354	ZAEARYZVGJVNTB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044101
c12CN(CCCn1nc(C#N)c2)C(=O)C1CCn2c(ccn2)C1	PC-id_154821204,EMOLS-id_324294026,MCULE-7468265151	310.354	NWYLUGARSLCYNW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-044102
c1ccc(c2nnc[nH]2)c(OCc2nnc3n2CCCCC3)c1	MCULE-1100377009,EMOLS-id_76042288,PC-id_121578495,ZINC22_278782953	310.354	ZJVDWHGAGBJQKG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-044103
c1(C(=O)NCc2c3CCCCCc3[nH]n2)cc2n(cccn2)n1	MCULE-5658738989,EMOLS-id_177498860,ZINC22_584902449	310.354	GTDYPYUEFNTROI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044104
c1(C(=O)NCc2c3CCCCCc3[nH]n2)cn2c(nccc2)n1	ZINC22_584899548,MCULE-5323627771,EMOLS-id_177476711	310.354	FMEFVSPYGANXCW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044105
c1(C(=O)NCc2nnc3ccccn23)c2CCCCCc2n[nH]1	EMOLS-id_50401818,MCULE-2656958499,ZINC22_96231916,STOCK7S-47171,PC-id_75356882,EMOLS-id_49248775	310.354	NZELXFJAKGCKMR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044106
c1(C(=O)N)cn2c(CCN(Cc3[nH]c4c(cccc4)n3)CC2)n1	EMOLS-id_336516022,ZINC22_1940197294,MCULE-3107050923	310.354	GEVWNWTVKZBVEH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044107
Cc1cc2nccc(NC(=O)c3cc4c([nH]3)CCCNC4)n2n1	ZINC22_2325820842	310.354	OTNSJCCKXGGZAJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044108
Cc1ccc2c(c1)[nH]c(c2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166315,MCULE-1313768288	310.354	GYCBYFHMHFDTQA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044109
Cc1cc(C(=O)N[C@@H]2CNCc3nccn3C2)c2n[nH]cc2c1	ZINC22_2325786440	310.354	LHXDPGXYVPYLSU-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044110
Cc1cc(C(=O)N[C@H]2CNCc3nccn3C2)c2n[nH]cc2c1	ZINC22_2325786441	310.354	LHXDPGXYVPYLSU-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044111
Cc1ccn2c(c1NC(=O)c1cnc3n1CCCCC3)nnc2	EMOLS-id_278168652	310.354	ZEYYVIWRHYQACO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044112
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)n(C)nn2	EMOLS-id_319504616	310.354	OVMXDLJCNCABTF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044113
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)nnn2C	EMOLS-id_319469845	310.354	LREAUWAQXGZTBJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044114
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2n(c1)c(C)nn2	EMOLS-id_319400427	310.354	KLHBCCUPFHZLBD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044115
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc2c1ncn2C	EMOLS-id_318970199	310.354	DBCUGCHVDWSSBZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044116
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc2c1nc([nH]2)C	EMOLS-id_318879947	310.354	OHQRSZSIGGVEFQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044117
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn2nccc2nc1C	EMOLS-id_318774737	310.354	LYXHILPJDKCVKU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044118
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc2c(c1)c(C)[nH]n2	EMOLS-id_319787786	310.354	GTXBGCFUNMRGMS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044119
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc2c(c1)cnn2C	EMOLS-id_320055422,MCULE-6040995293	310.354	JAJQPBSAVZSTKE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044120
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ncc2c1cccn2	EMOLS-id_319378466	310.354	WKWFOEHQUMHKEV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044121
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ncc2c1nccc2	EMOLS-id_319143627	310.354	XUIKHMLIPNIWPX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044122
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1nnc2c1cccc2	EMOLS-id_319714590	310.354	CVQKBSNJSLOXBV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044123
CC1CN(Cc2onc(n2)c2ccccn2)Cc2c(C1)[nH]nc2	EMOLS-id_320010827,MCULE-5583889722	310.354	ZCJDODWQISMWJZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-044124
CC1CN(Cc2onc(n2)c2cccnc2)Cc2c(C1)[nH]nc2	EMOLS-id_319075517	310.354	VZXLKKSZQAGKLQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-044125
Cc1nn(CC(=O)N2CCCc3n[nH]cc3C2)c2ncccc12	MCULE-8342952721,PC-id_136565585,EMOLS-id_316959418,ZINC22_826794332	310.354	BOKUPSUTHGFZEB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044126
Cn1ncc2c1CCCN(C(=O)Nc1ccn3ccnc3c1)C2	MCULE-7511580910,EMOLS-id_101863511,ZINC22_333855549	310.354	YEHFLZXBKOCLGY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044127
Cn1ncc2c1CCCN(C(=O)Nc1cnn3ccccc13)C2	EMOLS-id_276240718,MCULE-4450378080,ZINC22_585141651	310.354	WQXHYYCRNNTXCG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044128
COc1ccc(cc1)NN=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_44488515,MCULE-9231560026,PC-id_3335890	310.354	VAJLEIZXPKISEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044129
COc1ccc(cc1)N/N=C(c1nnc2n1CCCCC2)/C#N	PC-id_5796678,CoCoCo_3692458	310.354	VAJLEIZXPKISEB-RGEXLXHISA-N	00000000100000110101000000000010000000000000000000000000	31-01-044130
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Cn1nnc(c1)S(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319298935	310.375	NIABSCSPUHLAFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044220
S(=O)(=O)(NC(c1n2CCCCCc2nn1)C)c1c[nH]nc1	PC-id_61273518	310.375	URRALLROJLDWKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044221
S(=O)(=O)(NC(c1n2CCCCCc2nn1)C)c1[nH]cnc1	PC-id_64154434	310.375	AGFDZBMIBSBQAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044222
COCc1cn2c(n1)CCCC(C2)/C(=C/C=CC(F)C)/CF	PC-id_143218019	310.382	CVAUMXVISUWRPU-RGWZVXDZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044223
O=Cc1c2-c(cc1/C(=C/C(=O)OCC)/C)c(cc(cc2C)C)C	PC-id_10913923	310.387	PWAJZGYZHLDJGP-NTEUORMPSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044224
O=Cc1c2-c(cc1C(=CC(=O)OCC)C)c(cc(cc2C)C)C	PC-id_85313373	310.387	PWAJZGYZHLDJGP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044225
O=C(c1c2-c(c(c1)C)ccccc2)c1c2-c(c(c1)C)ccccc2	PC-id_13924934	310.388	QGBLJNYJNJUXEX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044226
OC(c1cc2-c(c1)ccccc2)(c1ccccc1)c1ccccc1	PC-id_101223562	310.388	LEEGDJSZAQDCDJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-044227
C/C=CC=C(c1nc2n(c1CC(=O)O)C=CC(C=C2)C)/C=CC	PC-id_144299592	310.39	ITTTWDFABPBMIX-DOMOTYRKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-044228
O=C(c1noc2c1CCCCC2)NC1(CC1)Cc1ccccc1	EMOLS-id_99146938	310.39	ALJOWXQDALJPSC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-044229
O=C(c1noc2c1CCCCC2)NC1(C)Cc2c(C1)cccc2	EMOLS-id_101003407	310.39	QPBSIKBBEVCQML-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044230
O=C(c1noc2c1CCCCC2)NCC1CCc2c1cccc2	EMOLS-id_100102566	310.39	CFJYYASYNKOFOA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044231
O=C(c1noc2c1CCCCC2)N[C@@H]1C[C@H](C1)c1ccccc1	EMOLS-id_100962018	310.39	IUGABPNPRCUIKT-SHTZXODSSA-N	00001000100000110101100000000010000000000000000000000000	31-01-044232
O=C(C(N1CCCc2c(C1)cco2)c1ccccc1)NC1CC1	EMOLS-id_318511773	310.39	ODRBYGNGUAHSII-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-044233
O=C(Nc1ccc2c(c1)CCC2)CN1CCCc2c(C1)cco2	EMOLS-id_318626884	310.39	PHYZGVWDJDCCLX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-044234
O=C(NC1CCCCC1)CNC(=O)c1c2-c(cc1)ccccc2	SCHEMBL1670666,PC-id_67116005	310.39	CHQXETLTOAVYGP-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-044235
c12CN(CCOC)CCCn1nc(CCC(=O)NCCO)c2	ZINC22_82158187,EMOLS-id_44450099,MCULE-5795753071,PC-id_70780959	310.392	OKILGTWOEOOWHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044236
c12C(=O)NCC(C)(C)Cc1[nH]c(CCN(CCO)CCO)n2	MCULE-2116795521,ZINC22_65436247,PC-id_50972261,EMOLS-id_32413774	310.392	FOYULZQDSPCNRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044237
CCC(C(CNC(=O)Cn1nc2n(c1=O)CCCCC2)O)C	PC-id_112295869	310.392	FASHEWGMYXRZTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044238
CCC(CNC(=O)Cn1nc2n(c1=O)CCCCC2)(CC)O	PC-id_111483501	310.392	QCAMLXOQTQSMON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044239
CC(C)(C)OC(=O)N1CCCc2nn(c(c2C1)OCCN)C	PC-id_136590237	310.392	VRLUOZGRSZVHJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044240
CC(CN(C(=O)Cn1nc2n(c1=O)CCCCC2)C(C)C)O	PC-id_109904668	310.392	IYOLBMXGXLECQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044241
COC1(OC)CCOCC1NCc1nnc2n1CCCCC2	EMOLS-id_319954124,MCULE-7346610226	310.392	CEOLYQZIWHFEAN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-044242
COCC(=O)N1CC(COCCN(C)C)Cn2c(C1)ccn2	PC-id_118746056,CHEMBL3552629	310.392	XKJMWNFOWRWZJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044243
N(c1c2-c(c(Nc3ccccc3)c1)ccccc2)c1ccccc1	PC-id_85692487	310.392	BTNRFEHTWKYWAG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-044244
N(c1cc2-c(cc(Nc3ccccc3)c1)ccc2)c1ccccc1	PC-id_85699341	310.392	YTBMLTHIMTXIAO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-044245
OCCC(C(C)C)NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_112320455	310.392	AVIZIFJXUFGJPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044246
OCCC(CNC(=O)Cn1nc2n(c1=O)CCCCC2)(C)C	PC-id_112301965	310.392	YPMDOCRISGDNND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044247
O=C(Cn1nc2n(c1=O)CCCCC2)NCCC(C(C)C)O	PC-id_111461568	310.392	IGWBBRSPNCLPKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044248
OCC(NC(=O)Cn1nc2n(c1=O)CCCCC2)CC(C)C	PC-id_109922141	310.392	BCNZVDJEOZHCAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044249
c12CN(CCCCOc3ccccc3)CCCn1nc(C#N)c2	MCULE-8604534324,EMOLS-id_222775149,ZINC22_670456181	310.393	UQYZUPYWPXKUNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044250
c1(CN2CCCn3nc(CO)cc3C2)c(C)c2c(cccc2)[nH]1	MCULE-8542352035,EMOLS-id_55617870,PC-id_91765393	310.393	VPKVPKYOQULILN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044251
Cc1ccc2c(c1)C(CC2)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316628841	310.393	ZQCHYZIUMRGTHT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044252
Cc1ccc2c(c1)CCC2NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319958833,MCULE-5674639416	310.393	KOHKFUPXGQOXQP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044253
Cc1ccc(c(n1)C1CC1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101679998	310.393	NYXJRVFVQWFBAX-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-044254
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)Nc1ccccc1	MCULE-8254474761,EMOLS-id_319874422	310.393	NXWGKSMDCGKDLF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-044255
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCC1)c1ccncc1	EMOLS-id_318810553	310.393	ZZDKRIAVZHQAJR-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-044256
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1C1CC1)C	EMOLS-id_318828660	310.393	PYVHKSOOJWPJSG-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-044257
CCc1c(c2c([nH]1)CCC(=Nc1cnccc1)N=C2OCC)C	PC-id_137071451	310.393	CKBGBKFCBADPCE-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-044258
CC(c1coc2c1cccc2)NCc1nnc2n1CCCCC2	EMOLS-id_279081329	310.393	FWFWNMZMRAMTKR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044259
C=CC(c1ccccc1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_319484182	310.393	KBCGROJBEJDOMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044260
C=CCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1	EMOLS-id_319143595	310.393	MGQGLSFSYXXWEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044261
C#CCOc1ccccc1CNCc1nnc2n1CCCCC2	PC-id_121844144	310.393	OXFAUWUQPXQLLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044262
CC(C)(O)C#Cc1ccc(CN2CCc3nncn3CC2)cc1	CoCoCo_1407827,MCULE-4716071002,PC-id_26357254,CoCoCo_1407828,ZINC22_15001419,EMOLS-id_20593079	310.393	DITXYQPNDCIJJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044263
CCOCC1CN(Cc2cccc(c2)C#N)Cc2n(C1)ccn2	PC-id_118744176	310.393	GJLXWCOGHYQLDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044264
CCOC[C@H]1CN(Cc2cccc(C#N)c2)Cc2nccn2C1	ZINC22_96187794,PC-id_97462247	310.393	GJLXWCOGHYQLDV-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044265
CCOC[C@@H]1CN(Cc2cccc(C#N)c2)Cc2nccn2C1	ZINC22_96187795,PC-id_97462248	310.393	GJLXWCOGHYQLDV-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044266
COCC1CCn2cncc2CN1Cc1cccc2[nH]ccc12	EMOLS-id_313744563	310.393	FYACPFNCJGXJMF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044267
COC[C@@H]1CCn2cncc2CN1Cc1cccc2[nH]ccc12	ZINC22_585096953	310.393	FYACPFNCJGXJMF-HNNXBMFYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044268
COC[C@H]1CCn2cncc2CN1Cc1cccc2[nH]ccc12	ZINC22_585096955	310.393	FYACPFNCJGXJMF-OAHLLOKOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044269
n12CCCNCc1cc(CNC(=O)C1CCc3ccccc13)n2	EMOLS-id_49648618,MCULE-7506339833,PC-id_74234839	310.393	WRFBXWJFZGQOKI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044270
NCc1ccc(cc1C)C(=O)N1CCc2c(C(=C)C1)nc([nH]2)C	PC-id_143188776	310.393	NTTMZHCEJVPYPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044271
N#Cc1ccc(cc1)OCCCN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318864218	310.393	DJNOOYLPXTYAEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044272
N#Cc1cccc(c1)OCCCN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319042601	310.393	LBSFYDYBGPCZJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044273
O=C(C1Cc2c1cccc2)NCCc1nnc2n1CCCCC2	EMOLS-id_99547304	310.393	JQSFTHPAAGCRBN-UHFFFAOYSA-N	00001000100000100101001000000010000000000000000000000000	31-01-044274
O=C(C1CCc2c1cccc2)NCc1nnc2n1CCCCC2	EMOLS-id_317920735	310.393	SCKOTJHTVBFFCU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044275
O=C(c1cccc2c1CCC2)NCc1nnc2n1CCCCC2	EMOLS-id_98364394	310.393	JRPQRNGKDNBCKX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044276
O=C(c1ccc(nc1C)C1CC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101678363	310.393	NGFNGBZGPYOZDV-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-044277
O=C(C1CCn2c(CC1)nnc2)NC1(CC1)Cc1ccccc1	EMOLS-id_316719278	310.393	XCDIORFSSJTYOT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-044278
O=C(C1CCn2c(CC1)nnc2)NC1(CCC1)c1ccccc1	MCULE-9331467517,EMOLS-id_320222479	310.393	XZYKMQRHILPPJT-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-044279
O=C(C1CCn2c(CC1)nnc2)NC1(C)Cc2c(C1)cccc2	EMOLS-id_278163110	310.393	BYAOIXKKRZTOCR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044280
O=C(C1CCn2c(CC1)nnc2)NCC1(CC1)c1ccccc1	MCULE-4059027785,EMOLS-id_320319133	310.393	VTQPLDUGXNZVCM-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-044281
O=C(C1CCn2c(CC1)nnc2)NCC1Cc2c(C1)cccc2	EMOLS-id_319597172	310.393	SUGJIKZJPQTRRX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044282
O=C(c1cnc2n1CCCCC2)N1CC(C1)Nc1ccccc1	EMOLS-id_318404582	310.393	UDZYFYCFWIQWAW-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-044283
O=C(c1nccc(c1)C1CC1)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-4667880812,EMOLS-id_320130983	310.393	DJRDRSCMKURARQ-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-044284
O=C(c1n[nH]c2c1CCCCC2)N1CC(C1)Nc1ccccc1	EMOLS-id_319753974	310.393	CKZQJIFLMKTODI-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-044285
O=C(C=C(C1CC1)C1CC1)C(c1n2CCCCCc2nn1)C#N	PC-id_71890855	310.393	ATXLYFZXMJKTAB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-044286
O=C(N1CC(C1)(C)c1ccccc1)C1CCn2c(CC1)nnc2	EMOLS-id_316620384	310.393	NNGJZQBFRRTEIS-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-044287
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O=C(N1CCCc2c(C1)cnn2C)NC1Cc2c(C1)cccc2	EMOLS-id_101689712	310.393	JKTVTUKRGOFTOR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044289
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)CCC2	EMOLS-id_101963193	310.393	WXYCJXVBQVTIDG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044290
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O=C(N1CCCc2c(C1)cnn2C)N[C@@H]1C[C@H]1c1ccccc1	EMOLS-id_101710118	310.393	GPDJTEZAKWFBKU-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-044292
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CCOC(=O)C[n+]1c(sc2c1CCCCC2)/N=C/N(C)C	PC-id_136044844	310.435	LECCBMHHOPSQNA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044405
N#C[C@@]1(CN2CCCc3c(C2)ccs3)C[C@H]1S(=O)(=O)C	MCULE-2000430133,EMOLS-id_319960561	310.435	VPNDYEVQTFZTBQ-ZIAGYGMSSA-N	00100000100000000100000000000010000000000000000000000000	31-01-044406
c1ccc(cc1)C1CCCC1NCc1nnc2n1CCCCC2	EMOLS-id_318502907,MCULE-7158636652	310.437	ADYSMMGYOULAJX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-044407
c1ccc(cc1)C1(CCCC1)NCc1nnc2n1CCCCC2	MCULE-5384473777,EMOLS-id_318566644	310.437	DZYZVGQGSYCDLZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-044408
c1ccc(cc1)CC(C1CC1)NCc1nnc2n1CCCCC2	PC-id_75382441,MCULE-4927848716	310.437	RLJDOLBPQHYECT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-044409
c1ccc(cc1)[C@H]1CCC[C@H]1NCc1nnc2n1CCCCC2	EMOLS-id_319852197,MCULE-7904292286	310.437	ADYSMMGYOULAJX-IAGOWNOFSA-N	00000010100000110101100000000010000000000000000000000000	31-01-044410
c1ccc(C[C@@H]2CCN(Cc3cc4n(n3)CCCNC4)C2)cc1	PC-id_95722592,ZINC22_72158334	310.437	BTOYRODTUBUQBA-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-044411
c1ccc(C[C@H]2CCN(Cc3cc4n(n3)CCCNC4)C2)cc1	PC-id_95722593,ZINC22_72158335	310.437	BTOYRODTUBUQBA-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-044412
c1ccc(C[C@H](NCc2nnc3n2CCCCC3)C2CC2)cc1	ZINC22_95419381,PC-id_97229218	310.437	RLJDOLBPQHYECT-KRWDZBQOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-044413
c1ccc(C[C@@H](NCc2nnc3n2CCCCC3)C2CC2)cc1	ZINC22_95419382,PC-id_97229219	310.437	RLJDOLBPQHYECT-QGZVFWFLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-044414
C1CCn2c(CC1)nnc2Cc1ccc(cc1)NC1CCCC1	EMOLS-id_318123077,MCULE-8450323792	310.437	OWBHVZPZEJJLSA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-044415
CC1Cc2c(C1NCCc1nnc3n1CCCCC3)cccc2	MCULE-4895502957,EMOLS-id_318077673	310.437	NAAMZEOYVMTHLW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044416
CC1CC(C1)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_318589570,MCULE-7324912550	310.437	MPQUXWIDVYXMAE-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-044417
CC1CCC1Nc1ccc(cc1)Cc1nnc2n1CCCCC2	MCULE-1969678941,EMOLS-id_318753015	310.437	CXVGGAWYSHSTNB-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-044418
CC1(CC(C1)NCc1nnc2n1CCCCC2)c1ccccc1	EMOLS-id_318014045	310.437	BCULXERJMOLFHP-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-044419
CC1(C)CC1(NCc1nnc2n1CCCCC2)c1ccccc1	MCULE-5991493252,EMOLS-id_318334558	310.437	MZVLHMUGQQLMAQ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-044420
CC1CC(c2c1cccc2)NCCc1nnc2n1CCCCC2	EMOLS-id_318027728,MCULE-2729168510	310.437	IVBWSIZUCAWPMY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044421
CC1CC(c2c1c(C)ccc2)NCc1nnc2n1CCCCC2	EMOLS-id_318014828,MCULE-1832786369	310.437	KQICIJGSQINFCR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044422
Cc1ccc2c(c1)CCC2NCCc1nnc2n1CCCCC2	MCULE-4395039426,EMOLS-id_318427855	310.437	LWDGSLGXGQOJSY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044423
Cc1ccc2c(c1)C(NCc1nnc3n1CCCCC3)C(C2)C	EMOLS-id_318258898	310.437	YUPXBVLIZPDEKP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044424
Cc1ccc2c(c1)C(NCCc1nnc3n1CCCCC3)CC2	EMOLS-id_318080300,MCULE-1766831506	310.437	LNCJQBYEKKWYFO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044425
Cc1cccc2c1CCC2NCCc1nnc2n1CCCCC2	EMOLS-id_317999756,MCULE-9054743464	310.437	OCOFQZREKAVIDU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044426
CC1(C)CC(c2c1cccc2)NCc1nnc2n1CCCCC2	MCULE-9861542155,EMOLS-id_318149317	310.437	SVLGCIMBENDJEK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044427
Cc1cccc2c1C(NCCc1nnc3n1CCCCC3)CC2	EMOLS-id_318521382,MCULE-5972191575	310.437	NFAPEYAVBUOBKE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044428
Cc1cc(C)c2c(c1)CCC2NCc1nnc2n1CCCCC2	EMOLS-id_318367226	310.437	GONJCMCGKHRLSQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044429
C(C1CCN(Cc2cc3CNCCCn3n2)C1)c1ccccc1	MCULE-8112459986,EMOLS-id_43121273,PC-id_56897728	310.437	BTOYRODTUBUQBA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-044430
CC(c1ccc2c(c1)CCC2)NCc1nnc2n1CCCCC2	MCULE-6361972165,EMOLS-id_318065626	310.437	HNFCJBHNSYRTCO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044431
CC(=Cc1ccccc1)CNCCc1nnc2n1CCCCC2	PC-id_72024226,MCULE-1544745762,EMOLS-id_48998114	310.437	FKJMJDZTNZYJQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044432
C/C(=Cc1ccccc1)/CNCCc1nnc2n1CCCCC2	PC-id_97557739	310.437	FKJMJDZTNZYJQO-JQIJEIRASA-N	00000000100000110101000000000010000000000000000000000000	31-01-044433
C/C(=C/c1ccccc1)/CNCCc1nnc2n1CCCCC2	ZINC22_67698235	310.437	FKJMJDZTNZYJQO-PEZBUJJGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044434
CCC(c1nnc2n1CCCCC2)NC1CCc2c1cccc2	MCULE-2070832623,EMOLS-id_318031115	310.437	FPCPOEULTWOIHO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044435
C/C=C(/CN1CCc2n(CC1)c(nn2)CCc1ccccc1)C	ChEMBL-DNDi_CHEMBL65114041	310.437	QLXZDABUUZPHEY-HQYXKAPLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044436
CC(=CCN1CCc2nnc(CCc3ccccc3)n2CC1)C	PC-id_42377590,CoCoCo_1136639,ZINC22_12050747,CoCoCo_1136640,EMOLS-id_20403632,MCULE-7203720266	310.437	PGWNLFOLKGEXEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044437
S=c1n2CCCCCc2nn1C[NH+](CC(=O)NC1CC1)C	PC-id_9286028	310.438	SHOSGWDOSLLYLU-UHFFFAOYSA-O	00100000100000000101000000000010000000000000000000000000	31-01-044438
S=c1n(nc2n1CCCCC2)C[NH+]1CCC(CC1)C(=O)N	PC-id_25695453	310.438	NRUHUOVQJKJBOX-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-044439
S(c1n2CCCCCc2nn1)Cc1nnsc1NCC	PC-id_62187868	310.442	SNSXPXHYXPIGBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044440
S(c1n2CCCCCc2nn1)Cc1sc(NCC)nn1	PC-id_80614351	310.442	DQUOYYNHIIUFIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044441
c12N(CCCCc1cc(C(=O)NC(C)COC)s2)CCC	MCULE-9375292100,EMOLS-id_97015611	310.455	ZTHBZUPDAGUCGH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044442
CCCN1CCc2c(CC1)cc(s2)NC(=O)OC(C)(C)C	PC-id_13072062,SCHEMBL10853726	310.455	HPSIINLXFJMUOP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044443
CN(CC(CNC(=O)c1cc2c(s1)CCCCC2)(O)C)C	PC-id_103839793	310.455	PRXRTYKIPXRTFI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044444
CNCC(CN(C(=O)c1sc2c(c1)CCCCCC2)C)O	EMOLS-id_319371840	310.455	XWVFBBCDBQOXPL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044445
COCCNCCNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_302009014,PC-id_120161702,MCULE-1615159227	310.455	GADNXLIJIBDZNK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044446
O=C(OC(C)(C)C)Nc1cc2c(s1)CCN(CC2)C(C)C	PC-id_20244876,SCHEMBL10854377	310.455	JBTGJSRQVPXBJZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044447
s1c2CCCCCc2nc1NC(=O)C(OCCC(C)C)C	PC-id_56126768	310.455	CMDNOJFAAHFDEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044448
s1c2CCCCCCc2nc1NC(=O)CCOCC(C)C	PC-id_56022756	310.455	BHJFVRKSWQLONB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044449
s1c2CCCCCCc2nc1NC(=O)C(OCCCC)C	PC-id_56124307	310.455	WYVRSWZYLARWEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044450
Nc1ccc(s1)CCCNC(c1ccc2-c1ccccc2)C	SCHEMBL3850793,PC-id_68813375	310.456	SCLPSJSOPNRHRU-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-044451
Nc1scc(c1)CCCNC(c1ccc2-c1ccccc2)C	SCHEMBL3850910,PC-id_68813413	310.456	KQAWAMQACSUQJM-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-044452
c1(C(=O)NCCSC(C)(C)C)cc2n(CCCN(C)C2)n1	ZINC22_65470639,MCULE-3835110209,PC-id_50977068,EMOLS-id_32422840	310.458	GOOWYQVVLBNCSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044453
CC(C1CCN(CC1)Cn1nc2n(c1=S)CCCCC2)O	PC-id_111446862	310.458	XUWZESZULYMGEK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-044454
CCNC(C1CCOC1)CSc1nnc2n1CCCCC2	PC-id_104755310	310.458	WWNVZFMWWSBAHP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-044455
s1c2C(NC)C(=O)N(CCc2cc1)CN(CCN(C)C)C	PC-id_23554776	310.458	LPDMXEOKYBUGJV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044456
S(C1C(NCCC)CCOC1)c1n2CCCCCc2nn1	PC-id_64648919	310.458	FQFKAAFGJGMGJC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-044457
S(C(CNCC1OCCC1)C)c1n2CCCCCc2nn1	PC-id_62577307	310.458	NWFQGLOCQSDHEB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-044458
S(CCNC(C1OCCC1)C)c1n2CCCCCc2nn1	PC-id_62579435	310.458	TYUGGCAIJCZDLL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-044459
CSCCNC(=NCc1nnc2n1CCCCC2)NCC	PC-id_111344337	310.461	GJUIFITWTLXLGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044460
CSCCNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111344485	310.461	HBOZSBGOEWXVLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044461
C[Si](C)(C)CCOCn1c2c(CCCCC2)c(n1)C(=O)O	SCHEMBL15564801,PC-id_90037093	310.464	YNXAZCKWEWSTLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044462
C1CCCCCc2c(CCCC1)oc(c2)CCc1ccccc1	PC-id_102395403	310.473	BFOPNZFCRHJNJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044463
CCCCCCCCc1cc(c2-c1cccc(c2)C(C)C)C=O	PC-id_13923035,SCHEMBL10735242	310.473	YJKWKSKRXMZPRO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044464
CNC1C(=O)N(CCc2c1scc2)CC1CCCCS1	SCHEMBL14171095,PC-id_23554646	310.478	YMSBSTRHXYMFNX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-044465
CNC1C(=O)N(CCc2c1scc2)CC1CCCSC1	PC-id_23554650,SCHEMBL14171094	310.478	AQDGXPNIBIBMFI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-044466
CNC1C(=O)N(CCc2c1scc2)CC1CCSCC1	PC-id_23554654,SCHEMBL14171108	310.478	JLHDGQBGRITQSX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-044467
O=C(c1cc2c(s1)CCCCC2)NCC(C(=S)N)(C)C	PC-id_116362679	310.478	SAPWNOYSSBQABH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044468
s1c2CCCCCc2cc1C(=O)NC(CCC)C(=S)N	PC-id_61119322	310.478	PSQQIPCLCJXQKP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044469
s1c2CCCCCc2cc1C(=O)NC(CC)(C)C(=S)N	PC-id_61120203	310.478	LHROZEKMZFKNNL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044470
s1c2CCCCCc2cc1C(=O)N(CCC)CC(=S)N	PC-id_61878616	310.478	SETDPFFTTLKXEA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044471
s1c2CCCCCc2cc1C(=O)NC(CC)CC(=S)N	PC-id_62651448	310.478	FFFTWXUQINAVLC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044472
s1c2CCCCCc2cc1C(=O)NCCCCC(=S)N	PC-id_64419731	310.478	TVVYQLXVDQOMLE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044473
s1c2CCCCCc2cc1C(=O)NC(C(C)C)C(=S)N	PC-id_64425258	310.478	MHPKLCKSFRJEFE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044474
s1c2CCCCCc2cc1C(=O)N(C(C)C)CC(=S)N	PC-id_64475097	310.478	HWPHXFWRSJZLLH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044475
s1c2CCCCCc2cc1C(=O)N(CC(C)C(=S)N)C	PC-id_61577507	310.478	RCAYWVYNLREPQX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044476
s1c2CCCCCc2cc1C(=O)N(CCC(=S)N)CC	PC-id_61576427	310.478	ZTVPVJXNOWIUHI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044477
s1c2CCCCCc2cc1C(=O)N(C(CC(=S)N)C)C	PC-id_63223099	310.478	DPRIMBQODMGWLF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044478
s1c2CCCCCCCCCCc2nc1CNCCOC	PC-id_62544368	310.498	NXMWMPQDBUNGKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044479
CCCNC(CCCSc1nnc2n1CCCCC2)CC	PC-id_106808262	310.501	LQOJGILIADQWIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044480
CC(CSC(C)(C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_48265971,MCULE-4907188001,PC-id_75382558	310.501	FHPHUXSNKQHLSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044481
C[C@H](CSC(C)(C)C)NCCc1nnc2n1CCCCC2	PC-id_97229609,ZINC22_95419799	310.501	FHPHUXSNKQHLSJ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044482
C[C@@H](CSC(C)(C)C)NCCc1nnc2n1CCCCC2	ZINC22_95419798,PC-id_97229608	310.501	FHPHUXSNKQHLSJ-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044483
S(c1n2CCCCCc2nn1)CCCCC(NCCC)C	PC-id_64649118	310.501	GVPRDSRGJDIMFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044484
S(c1n2CCCCCc2nn1)CCNC(CCC(C)C)C	PC-id_62578584	310.501	XJJKPUQYIWAXNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044485
S(c1n2CCCCCc2nn1)CCNC(CCCCC)C	PC-id_62578997	310.501	GSKGVXSHJHMEIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044486
S=c1n2CCCCCc2nn1CN(CC(C)C)CC(C)C	PC-id_60458709	310.501	WOCMDCISOQATGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044487
S(C(C(C)C)CNC(C)(C)C)c1n2CCCCCc2nn1	PC-id_62577718	310.501	UXLVSNGAACWZFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044488
S(C(C(NCC)CCC)CC)c1n2CCCCCc2nn1	PC-id_64649897	310.501	DGQCSVUWNWJALX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044489
S(CC(NCCC)C(C)(C)C)c1n2CCCCCc2nn1	PC-id_64650484	310.501	ARTBRXRYGUVYOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044490
S(CC(NCCC)C(CC)C)c1n2CCCCCc2nn1	PC-id_80450093	310.501	QLJOFZDLVKPBRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044491
CC([Si-](C(C)C)(C(C)C)Oc1n[nH]c2c1CCOCC2)C	PC-id_142458316	310.507	TXTBMJCBGWBCBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044492
C(CCCc1c2-c(cc1)cc(C(C)C)ccc2)CCCCCC	PC-id_19815688	310.516	XPFWGCBOAMJFIR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044493
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Clc1c(cc2-c1ccccc2)OS(=O)(=O)C(F)(F)F	PC-id_102576494	310.677	GTMCPGJOMLLTBA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044495
Clc1ccc2-c(ccc2OS(=O)(=O)C(F)(F)F)cc1	PC-id_11266910	310.677	DYBPOLOFZZZLTK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044496
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CCc1nc2-c(cccc(n2)Oc2cncc(c2)C#N)c1Cl	PC-id_137160901	310.738	KQPOZZUUAPJBOC-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-044498
c1(CCn2nc(N(=O)=O)c(Cl)c2)nnc2n1CCCCC2	EMOLS-id_337751382,PC-id_71833037,MCULE-6420059589	310.739	GQPYEEDZYBENCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044499
Cc1c(Cl)c(nn1Cc1nnc2CCCCCn12)[N+](=O)[O-]	EMOLS-id_32216886,ZINC22_72334109,TIMTEC65698,PC-id_71833104,MCULE-7023015401	310.74	AXEIYRSIZGZFLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044500
Clc1ccc(c(c1)CNCc1nnc2n1CCOCC2)F	MCULE-4046654663,EMOLS-id_318630066	310.754	RUDYXNLLKWPOLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044501
Clc1cccc(c1F)CNCc1nnc2n1CCOCC2	EMOLS-id_318386324,MCULE-3339199317	310.754	AGMMFJMLGOWNJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044502
Clc1cc(CNCc2nnc3n2CCOCC3)ccc1F	EMOLS-id_318438337,MCULE-4691578768	310.754	IBZKVBWAZHPQLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044503
Fc1ccc(c(c1)Cl)CNCc1nnc2n1CCOCC2	EMOLS-id_318422920,MCULE-2027544311	310.754	OBKAJLIVUNBHFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044504
Fc1cccc(c1CNCc1nnc2n1CCOCC2)Cl	MCULE-7122757467,EMOLS-id_318579072	310.754	LNZDPNVKTLZQTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044505
Fc1cc(CNCc2nnc3n2CCOCC3)cc(c1)Cl	EMOLS-id_318539423,MCULE-6891330471	310.754	MUVSNJPFYAVFNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044506
Fc1cc(CNCc2nnc3n2CCOCC3)ccc1Cl	EMOLS-id_318678916,MCULE-4335411981	310.754	CNQVTVXVRJXNIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044507
C1C=C(c2c(C=C1Cl)c(c[nH]2)CCN=C(N)N=C(N)N)F	SCHEMBL20258640,PC-id_134604148	310.758	HXSHUVXNHQMQCK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-044508
C=Cc1c2-c(n(c1=O)Nc1ccc(cc1C)Cl)ccccc2	PC-id_58796775,SCHEMBL14584123	310.778	FIEIHBNGYHZHHU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-044509
CC(=CN1C=CC(=CC1=C)Cl)c1c2-c(ccccc2)[nH]c1=O	PC-id_89013511	310.778	VDCWGLHHTCKJNH-UHFFFAOYSA-N	00000010100011001110000000000010000000000000000000000000	31-01-044510
ClC1=CC(=C)N(C=C1)/C=C(/c1c(=O)[nH]c2-c1ccccc2)C	SCHEMBL13077165	310.778	VDCWGLHHTCKJNH-VAWYXSNFSA-N	00000010100011001110000000000010000000000000000000000000	31-01-044511
Clc1oc(C(=O)Nc2sc3CCCCCCc3n2)cc1	PC-id_56021211	310.799	IDBSIRGNJXPFKG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-044512
O=C(c1ccoc1Cl)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111800272	310.799	HRSHEUZDOYKUMK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-044513
Cc1nc2c(s1)N(CCCC2)C(=O)c1c(Cl)cnn1C	EMOLS-id_318925169	310.802	WKXCDESNBACASN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044514
Clc1cnn(c1)CC(=O)N1CCCCc2c1sc(n2)C	MCULE-7324355711,EMOLS-id_320004554	310.802	YAWMCBZUZNERAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044515
Clc1csc(c1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_318530465	310.802	PZIQTQRHCAGLGO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-044516
Clc1scc(c1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_317934284	310.802	AZSJVBILRBMHAI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-044517
Cn1cc(c(n1)C(=O)N1CCCCc2c1sc(n2)C)Cl	MCULE-3332354432,EMOLS-id_319889456	310.802	JEOOYSZRISKGOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044518
O=C(c1c(Cl)[nH]nc1C)Nc1nc2c(s1)CCCCC2	EMOLS-id_278539271	310.802	YMNXCLVRQKZDRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044519
O=C(c1ccsc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318555937	310.802	KGCWQTKHIPMWJV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-044520
O=C(c1sccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_317930178	310.802	QEYPMTMSAZSVRD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-044521
O=C(NCc1nnc2n1CCCCC2)c1ccc(Cl)s1	CoCoCo_4625730,EMOLS-id_24147583,PC-id_25665937,ZINC22_13007268,MCULE-8182449688	310.802	STZYCPMUESMLLP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-044522
Clc1c(Sc2n3CCCCCc3nn2)nc(nc1)NC	PC-id_80882452	310.806	HEAJNULYLHQVIP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-044523
Clc1nc(Sc2nnc3n2CCCCC3)c(c(n1)C)N	PC-id_108138385	310.806	OGGVLECZCMEZJQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-044524
Clc1ccc(c(c1)F)C(c1cc2c(s1)CCCCC2)O	PC-id_115827817	310.814	DQKVEZJBGKAHCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044525
Fc1ccc(c(c1)C(c1cc2c(s1)CCCCC2)O)Cl	PC-id_105397646	310.814	AEYDDWLXXNGYLT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044526
CCCCN1CCC(=O)c2c(C1=O)n(CCCCCl)cc2	SCHEMBL9040855,PC-id_10804942	310.819	NKTVYGNPSNUFJO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044527
ClC1CCC(CC1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_319297814	310.822	JEXNKHUJURAVMM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-044528
ClS(=O)(=O)c1c2-c(c(CCC)c1)cccc(C(C)C)c2	PC-id_10358076	310.839	WHCQHXGTABBNGZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044529
ClS(=O)(=O)c1c2-c(c(C(C)C)c1)ccc(C(C)C)cc2	PC-id_10380728	310.839	AFAOMRRAIABGOG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044530
ClS(=O)(=O)c1c2-c(c(CCC)c1)ccc(C(C)C)cc2	PC-id_10425548	310.839	YYKSXSCIFUAFQW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044531
c1(NC(=O)CCCCl)sc2c(CCCCCC2)c1C#N	EMOLS-id_3997652,MCULE-5594133962,TIMTEC289996,CoCoCo_6803323,PC-id_3271440	310.842	LNBZIUJZZBBQLO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044532
CCn1ncc(c1C(c1cc2c(s1)CCCCC2)O)Cl	PC-id_115834895	310.842	XHISNSVVLAMOOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044533
ClCCCCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_43346544	310.842	SOVQORGGAVVOHN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044534
ClCC(C(=O)Nc1sc2c(CCCCC2)c1C#N)(C)C	PC-id_63680908	310.842	BVBWCPMGUGZMPP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044535
Clc1ccc(s1)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318056825,MCULE-3610672857	310.845	CLYVZGOFYZYGEZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-044536
Clc1cc(sc1)CNC(c1n2CCCCCc2nn1)C	PC-id_79419730	310.845	IEGXKIXSOIBMLR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-044537
Clc1scc(c1)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318070156,MCULE-9625191399	310.845	FGJZYIHNMMDLCX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-044538
Clc1sc(CNC(c2n3CCCCCc3nn2)C)cc1	PC-id_43426001	310.845	OIUUSJAYZLYNCA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-044539
NNC(c1c(Cl)cnn1C)c1cc2c(s1)CCCCC2	PC-id_113705000	310.845	QXFZHESWAZXVLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044540
Clc1ccc(s1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_114967542	310.862	YMZRIFGAOAVGTN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-044541
O=C(c1cc(c(s1)Cl)C)c1cc2c(s1)CCCCC2	PC-id_102762883	310.862	MMGAGMQKLRAMKU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-044542
ClC(c1sc2c(CCCCC2)c1)c1c(sc(c1)C)C	PC-id_63432586	310.905	QWQGTFOGFQHULA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-044543
ClC(c1sc2c(CCCCC2)c1)c1sc(cc1)CC	PC-id_63430992	310.905	OXRVZVNNMLCITR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-044544
ClC(c1sc2c(CCCCC2)c1)c1sc(cc1C)C	PC-id_81158183	310.905	GKDRNLNCVVAOGI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-044545
N#Cc1ccc2-c(cc1)c(cc2Br)Br	PC-id_102514431	310.972	SHUCUJYCTHGZJU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044546
Brc1c2CCNCCc2sc1Br	TT-id_D07KZR,PC-id_11522468,SCHEMBL2994774	311.037	NKJBQNKFPXTCGM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044547
CCOC(=O)CN1C(=C2C(=C1C(=O)[O-])OCCCO2)C(=O)[O-]	PC-id_161699237	311.065	XFUOZQYFMQSLKH-UHFFFAOYSA-L	00000000100000000101000000000010000000000000000000000000	31-01-044548
C1C=CC=C2C=CN(C2=C1)C(=S)SCCC3=CC=CC=C3	PC-id_148483820	311.08	MHJMXCYIJWGBDB-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-044549
C1CCC(C1)C2=NC(=CS2)CN3C4=CC=CC=CC4=NC3=O	PC-id_154788351,MCULE-5009673231,EMOLS-id_317735891	311.109	RPHZQGBDVDCOHZ-UHFFFAOYSA-N	00000010100000000111100000000010000000000000000000000000	31-01-044550
CC1=NC2=C(S1)CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3	PC-id_164130056	311.109	YMYCHXGSAJOOHB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044551
CC1=CN2CCN(CCC2=C1)C(C)C3=CC4=C(C=C3)SC=N4	PC-id_154685612	311.146	UBIVAEXUDWDRDY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044552
C1CCC2=C(CC1)ON=C2C(=O)N[C@@H]3CC4=CC=CC=C4[C@H]3N	MCULE-7426301985,PC-id_154577835	311.163	RFCPPQJIUBJBJR-GDBMZVCRSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044553
O=C(c1ccnc(c1Cl)Cl)N1CCCc2c(C1)c[nH]n2	EMOLS-id_316543149	311.167	UYFJAIVGVBEEGV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044554
Brc1c2-c(c(c1)C(=O)c1ccccc1)ccccc2	PC-id_71401683	311.173	KZSHXUSWQYZHLL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-044555
Brc1cc(c2-c1ccccc2)/N=Nc1ccccc1	CoCoCo_6897973	311.176	CWIPSQFTHRDBII-HNENSFHCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-044556
Brc1cc(/N=N/c2ccccc2)c2-c1ccccc2	EMOLS-id_45931900,PC-id_4492014,ZINC22_5515353,SPECS-id_AG-690/33055008,CoCoCo_6897972	311.176	CWIPSQFTHRDBII-VHEBQXMUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-044557
Brc1cc(/N=N/c2ccccc2)c2-c1ccccc2	MCULE-4768137685,CNP0441952	311.176	CWIPSQFTHRDBII-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-044558
CCN1C2=CC=CC=C2C(=N1)CNC3CCC4=NN=NN4CC3	PC-id_154746547	311.186	MVZGVNNHHTWRIM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044559
CC1=CNCC(C2=C(N(N=C12)CC3=CC=C(C=C3)OC)C)(C)C	PC-id_161852159	311.2	XZEIQLORVJJUIB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-044560
CC1CN(Cc2nccc(c2Cl)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_320171532,MCULE-2349006314	311.21	TUXZGTWKCHUXTE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044561
Clc1c(cccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318310189,PC-id_7566103,MCULE-1404610145	311.21	WJJZUIDZJBNCGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044562
Clc1ccc(c(c1)Cl)NCc1nnc2n1CCCCC2	MCULE-6837665606,PC-id_7566009,EMOLS-id_318310446	311.21	HLIPMQCQPULDJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044563
Clc1cccc(Cl)c1NCc1nnc2CCCCCn12	EMOLS-id_10086237,ZINC22_5223502,CoCoCo_6271451,MCULE-3254870220,PC-id_7565994	311.21	WMBVZHRPGWNPFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044564
Clc1ccc(Cl)c(NCc2nnc3CCCCCn23)c1	ZINC22_141832,CoCoCo_6269438,PC-id_729777,MCULE-1870475237,EMOLS-id_6783979	311.21	CERQDLMTSCRBOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044565
Clc1ccc(CNc2nnc3n2CCCCC3)cc1Cl	ZINC22_1468071,PC-id_1538774,MCULE-4326442595	311.21	VZAPRBPTLJNOCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044566
Clc1cc(Cl)cc(CNc2nnc3n2CCCCC3)c1	ZINC22_16769839,MCULE-5294009955,PC-id_4752701	311.21	DNUHRQHCMQNZRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044567
Clc1cc(Cl)cc(NCc2nc3n(n2)CCCCC3)c1	ZINC22_28527890,PC-id_35754643,CoCoCo_6602119	311.21	ANSBMZGUXBGIBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044568
Clc1cc(Cl)cc(NCc2nnc3CCCCCn23)c1	EMOLS-id_2701518,PC-id_7267254,ZINC22_4518102,CoCoCo_2580186,MCULE-1707710594	311.21	DIQJJTZVAJTWNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044569
Clc1ccc(NCc2nc3n(n2)CCCCC3)cc1Cl	MCULE-2434206300,EMOLS-id_32192774,CoCoCo_6600421,ZINC22_28526936,PC-id_16458425	311.21	GHSPBSVSXWBLEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044570
Clc1ccc(NCc2nnc3CCCCCn23)cc1Cl	ZINC22_392209,PC-id_853531,CoCoCo_5790858,Chemmine_54222,EMOLS-id_543610,MCULE-7895033538,TIMTEC261825,MS2_L124648	311.21	KHTMGWLXJSVXMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044571
Clc1c(cncc1Cl)CN1CCCc2c(C1)cnn2C	EMOLS-id_318905197	311.21	IHNZJSAYDOVZKI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044572
Brc1cc(Cc2c3-c(cc2)ccc(cc3)C)ccc1	SCHEMBL9874446,PC-id_19815667	311.216	QLQOGRUSUIEICL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-044573
Brc1cc(Cc2c3-c(c(c2)C)ccccc3)ccc1	SCHEMBL5277838,PC-id_23080595	311.216	IWUNCZPVRNIEEH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-044574
Brc1cc(Cc2c(c3-c(c2)ccccc3)C)ccc1	SCHEMBL5271792,PC-id_23080562	311.216	DPKHCRIMYCJENZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-044575
CC(C)[SiH-](C(C)C)(C(C)C)OC1=NNC2=C1CCOCC2	PC-id_163630023	311.216	HVHGRZUQWYQZMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044576
Fc1cc(F)c(c(c1)F)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158332	311.262	KEUZCGKBXIQZCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044577
O=C(c1ccc(c(c1F)F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102182535	311.262	MKZAOXBAYHMLJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044578
O=C(c1cc(F)c(c(c1)F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102160360	311.262	MMJGTOBHZXZORF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044579
O=C(c1cc(F)c(cc1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102182397	311.262	IRPGINUDETVXHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044580
O=C(c1c(F)ccc(c1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102179606	311.262	DKSOPLUCDKRQTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044581
ClC(c1sc2c(CCCCC2)c1)c1ccc(Cl)cc1	PC-id_63428841	311.269	PWYDHMWKKDHDAC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044582
C1Cn2cc(nc2OCCN1CC1CN(C1)C(=O)O)[N+](=O)[O-]	SCHEMBL14966146,PC-id_89580438	311.294	MGUKERVCKWALKQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-044583
CN1CCC(c2c(C1)cco2)Oc1ccc(cc1)C(F)(F)F	PC-id_68411900,SCHEMBL2841183	311.299	AVOZWUNQUXFQTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044584
CN1CCC(c2c(C1)occ2)Oc1ccc(cc1)C(F)(F)F	PC-id_68426928,SCHEMBL2882304	311.299	MHSVRFOBRHIQRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044585
c12CN(CCCn1nc(CO)c2)Cc1cc(F)c(cc1F)F	MCULE-8428511499,PC-id_91789755,EMOLS-id_55688055	311.302	TVWOKUAJWAONPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044586
FC(c1cc(OCc2n3c(CCCCC3)nn2)ccc1)(F)F	PC-id_2414968,MCULE-6080477265,ZINC22_3299380,EMOLS-id_3037635,CoCoCo_3698817	311.302	ZSZNEHSDSNIWED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044587
FC(c1cccc(c1)CNC1CCn2c(CC1)nnn2)(F)F	EMOLS-id_318184898,MCULE-1773890054	311.306	QXDQASUUWNXIIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044588
FC(c1ccccc1CNC1CCn2c(CC1)nnn2)(F)F	EMOLS-id_318228165,MCULE-7695397070	311.306	KGZMIWRVFVPBIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044589
FC(c1ccc(cc1)CNC1CCn2c(CC1)nnn2)(F)F	MCULE-1201523171,EMOLS-id_318315452	311.306	WWBJEAOYBDJTNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044590
FC(c1cccc(n1)NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318182144	311.306	WFLAIAHRZGAGRT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044591
FC(c1ccc(cn1)NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318623105	311.306	BZUUQKOBDXBSJF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044592
FC(c1cccnc1NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318234321	311.306	VCVZEIWLJXDDPU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044593
FC(c1ccc(nc1)NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318261930	311.306	FVTCHYBWPPPWET-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044594
FC(c1ccc(nn1)NCc1cnc2n1CCCCC2)(F)F	EMOLS-id_318627486	311.306	RWSNJUQGJPTAPN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-044595
FC(c1ccnc(c1)NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_317937603	311.306	APWLDUVRCHSBHD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044596
FC(c1ncccc1NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318513754	311.306	CDIHVBMLHICMNZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044597
FC(F)(F)c1cc(NCc2nnc3n2CCCCC3)ccn1	EMOLS-id_98127258,MCULE-1244581771,ZINC22_328808003	311.306	LPJQDPDHJCPQEY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044598
O=C(C1=CCc2c(C=C1)ocn2)CCC(=O)c1ccccc1F	PC-id_138480493,SCHEMBL20827528	311.307	JZLIQBWJBNWSSS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-044599
S1(=O)(=O)C(=Cc2c(C=C1C(=O)OC)cn(c2)C)C(=O)OC	PC-id_13211061	311.31	GEQJWMINXPJLBG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-044600
S1(=O)(=O)C(=Cc2n(ccc2C=C1C(=O)OC)C)C(=O)OC	PC-id_13211066	311.31	VATVUGRLGOCHPL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-044601
Cn1c2c(CCCCC2=O)c(n1)C(=O)N(CCOC)CP	SCHEMBL15385521,PC-id_89902205	311.317	RUAYNVBVIJZQAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044602
COC(=O)c1[nH]c(c2c1OCC(CO2)(CC)CC)C(=O)OC	PC-id_68970516,SCHEMBL4240231	311.33	YICSZHBHGQACHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044603
O1c2c(OCCC1)c(n(c2C(=O)OCC)CC)C(=O)OCC	PC-id_20726175	311.33	LQFHZUWMQKSNRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044604
CCOC(=O)c1ccc2-c1ccccc2C(C(=O)OCC)C#N	PC-id_102425865	311.332	NOMHWVKNCAYJHZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044605
O(C(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)C#C)CC	PC-id_23567959	311.332	IRDCXVYQKNIJMM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044606
o1c(C(=O)c2c3-c(c(c2C)C#N)ccccc3)cc2c1cccc2	PC-id_86216990	311.333	JWXPBWPERRVTQC-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-044607
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc2c1ccc(c2)O	EMOLS-id_320272298,MCULE-9245937566	311.335	XVBUHKGQCWDBIR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044608
Cc1nc2c(o1)cccc2NC(=O)c1noc2c1CCCCC2	MCULE-2244023114,EMOLS-id_319938311	311.335	KZQXQQIEWHLAKA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044609
Fc1cccc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026458	311.335	ONSGPORWKXDHJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044610
Fc1ccc(cc1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026461	311.335	VYSYNARFGXQHEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044611
Fc1ccccc1S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026509	311.335	UKFWDFBQYZDOHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044612
OCc1[nH]c2c(n1)c(ccc2)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319034360	311.335	NCVGEXLCHVSQBH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044613
O=C(c1noc2c1CCCCC2)NCc1oc2c(c1)cncc2	EMOLS-id_319618678	311.335	VUMRXDAVOYPAPR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044614
O=C(N1CCCc2c(C1)cco2)Nc1cccc2c1nc(o2)C	EMOLS-id_319848041	311.335	GIDPCIMXCSPDNJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044615
N1(C(=O)O)CC(C(=O)O)CCC1.n1nn2c(n1)CCCCC2	CHEMBL347091	311.337	LONSIFDOAJHJGQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-044616
c1ccc(c2nnco2)c(OCc2nnc3n2CCCCC3)c1	ZINC22_328596078,MCULE-9008174397,EMOLS-id_76042274,PC-id_121578488	311.338	QYSGYBXWUDSWBN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-044617
c1(cn2c(cccc2)n1)C(=O)N1CCCn2nc(CO)cc2C1	PC-id_91760441,EMOLS-id_55604044,MCULE-9385941473	311.338	IHIGTWPCVKLLLF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044618
C1CN(Cc2cc(nn2C1)CO)C(=O)c1n[nH]c2ccccc12	PC-id_91786120	311.338	MYLKLWVTILDFLI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044619
Cc1ccc2c(c1)cc(o2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102162730	311.338	BQDBLGYTHZKGDE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044620
Cc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc(O)n1	ZINC22_183202466	311.338	HSJQZTIGPGIOBL-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044621
Cc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc(O)n1	ZINC22_183202483	311.338	HSJQZTIGPGIOBL-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044622
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2c1[nH]c(=O)[nH]2	EMOLS-id_319209307	311.338	BDCKCMQTBJBALU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044623
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c[nH]nc1c1cocc1	EMOLS-id_319856621,MCULE-4271605212	311.338	MUWJPAGOQSYBAN-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-044624
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn[nH]c1c1ccco1	EMOLS-id_319948636,MCULE-1700941381	311.338	JJJFCPPCHAMYMS-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-044625
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1n[nH]c(c1)c1ccco1	EMOLS-id_319117938	311.338	JHBMKFNLQDCZKE-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-044626
Cc1nc2c(o1)cccc2NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316486815	311.338	SIQSFUCSJPAQOK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044627
Cc1nnn2c1COC[C@@H](CNC(=O)c1cccc(C#N)c1)C2	PC-id_97469414,ZINC22_96199343	311.338	JTLVAKDURPBRDU-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044628
Cc1nnn2c1COC[C@H](CNC(=O)c1cccc(C#N)c1)C2	PC-id_97469415,ZINC22_96199344	311.338	JTLVAKDURPBRDU-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044629
Cc1nnn2CC(CNC(=O)c3cccc(c3)C#N)COCc12	EMOLS-id_44332589	311.338	JTLVAKDURPBRDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044630
Cn1nc2CCN(CCn2c1=O)C(=O)c1ccc2[nH]ccc2c1	MCULE-9866125641,PC-id_110197876,EMOLS-id_55716264	311.338	WWFICSPQFUZQRN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044631
COc1cccn2c1c(cn2)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_320338009,MCULE-4682283311	311.338	KDKXFFMIIAOIHE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044632
COc1ncc(cc1C#N)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318626192,MCULE-3342893810	311.338	OBVXCEXTQPZMEV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044633
N#Cc1cccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)c1	MCULE-2878255653,PC-id_25492618,CoCoCo_4406376,ZINC22_12763024,EMOLS-id_16748914	311.338	IAKKVMXSMKIPKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044634
N#Cc1cc(C)c([nH]c1=O)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318930366	311.338	ONLJQSKDVKKLPT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044635
N#Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1	MCULE-8448441970,EMOLS-id_18870722,ZINC22_24769146,PC-id_32082603,CoCoCo_4406399	311.338	QQLOUKQXJPGQNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044636
N#CC(c1nnc2n1CCCCC2)C(=O)Cn1ccccc1=O	MCULE-1772117623,EMOLS-id_31921986,PC-id_47029321	311.338	WAHJURCLSCQGLC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044637
N#C[C@H](C(=O)Cn1ccccc1=O)c1nnc2n1CCCCC2	PC-id_93774861,ZINC22_41509594	311.338	WAHJURCLSCQGLC-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044638
N#C[C@@H](C(=O)Cn1ccccc1=O)c1nnc2n1CCCCC2	ZINC22_41509598,PC-id_93774864	311.338	WAHJURCLSCQGLC-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044639
O=C(c1ccc2c(c1)[nH]c(=O)[nH]2)N1CCCc2c(C1)cnn2C	EMOLS-id_101669362	311.338	WNJSPZIQHHVGGH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044640
O=C(C1CCc2n(CC1)cnn2)NCc1nc2c(o1)cccc2	MCULE-6536203219,EMOLS-id_320299868	311.338	WEXJEXKAYPCRHO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044641
O=C(c1ccco1)N1Cc2nccn2C[C@H](Cn2cccn2)C1	PC-id_97462988,ZINC22_96188554	311.338	ITJZNQRBBPNPOM-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-044642
O=C(c1ccco1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	PC-id_97462989,ZINC22_96188555	311.338	ITJZNQRBBPNPOM-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-044643
O=C(c1ccco1)N1CCc2ncc(Cn3cccn3)n2CC1	EMOLS-id_44328827,ZINC22_96196948,PC-id_97467092	311.338	ADAYSPLQWPQNRX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-044644
O=C(C1CCn2c(CC1)nnc2)NCc1oc2c(c1)cncc2	EMOLS-id_319500643	311.338	YPJKCBWSGFSERT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044645
O=C(c1ccoc1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	ZINC22_96188556,PC-id_97462990	311.338	HNHQLNBTHWIHRP-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-044646
O=C(c1ccoc1)N1Cc2nccn2C[C@H](Cn2cccn2)C1	ZINC22_96188557,PC-id_97462991	311.338	HNHQLNBTHWIHRP-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-044647
O=C(c1ccoc1)N1CCc2ncc(Cn3cccn3)n2CC1	EMOLS-id_44328829,ZINC22_96196949,PC-id_97467093	311.338	GWWWGYZJQBURBB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-044648
O=C(c1cn[nH]c1c1ccco1)N1CCCc2c(C1)cnn2C	MCULE-1841808617,EMOLS-id_316422302	311.338	GEZIXJNZGDXUHI-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-044649
O=C(c1noc2c1CCCCC2)Nc1cnc2c(c1)c(C)n[nH]2	EMOLS-id_100957116	311.338	HVRMZUNVKBKYQO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044650
O=C(c1noc2c1CCCCC2)Nc1nc2c(n1C)nccc2	EMOLS-id_99135577	311.338	XZJJRRPJDYYUFM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044651
O=C(c1oc2c(c1)cccc2C)NC1CCn2c(CC1)nnn2	EMOLS-id_102162661	311.338	AETJRQXXMVVTOJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044652
O=C(c1oc2c(c1C)cccc2)NC1CCc2n(CC1)nnn2	EMOLS-id_102168154	311.338	DTAZJHPQLIHFEQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044653
O=C(Cc1c[nH]c2ccccc12)N1CCc2n[nH]c(=O)n2CC1	EMOLS-id_50585805,MCULE-3942686075,PC-id_91922347	311.338	JCHHCSVPCWIKJG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044654
O=C(N1CCCc2c(C1)cco2)Nc1ccnc2n1nc(c2)C	MCULE-8589147644,EMOLS-id_319842984	311.338	PTBRFVJGGZNXAL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044655
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc2c(c1)cco2	EMOLS-id_319001023	311.338	ICCWPBDARNHZBQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044656
O=C(N1CC(Cn2cccn2)Cn2ccnc2C1)c1ccco1	EMOLS-id_44326397	311.338	ITJZNQRBBPNPOM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-044657
O=C(N1CC(Cn2cccn2)Cn2ccnc2C1)c1ccoc1	EMOLS-id_44326399	311.338	HNHQLNBTHWIHRP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-044658
c12C(CCCCn1nnn2)C(=O)NCc1cccn2nccc12	MCULE-8161552918,EMOLS-id_317913807	311.342	LXJPZHDTHFIJIZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044659
c1(C(=O)NCc2c3cccnc3[nH]n2)cn2c(CCNCC2)n1	MCULE-8187358573,ZINC22_1857739915,EMOLS-id_330474065	311.342	YSWVNRHLMDFCSK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044660
c1(C(=O)NCc2c3cccnc3[nH]n2)nnc2CCCCCn12	EMOLS-id_317867942,MCULE-5679696118,ZINC22_1772804091	311.342	FWHPNCVKONHJIM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044661
c1(C(=O)NCc2cnc3cnccn23)cn2c(CCNCC2)n1	MCULE-8787855947,EMOLS-id_330438989,ZINC22_1857735279	311.342	AYOWODUDNUZCEP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044662
Cc1cc2c[nH]nc2c(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102162616	311.342	UQUIKMATJKUAEV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044663
Cc1ccn2c(c1)c(cn2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102181017	311.342	CERVACLYPQDGKW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044664
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc2c1nnn2C	EMOLS-id_319925313,MCULE-5287487415	311.342	CYYCRBKRSSUFIG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044665
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc2c(c1)nnn2C	EMOLS-id_318884326	311.342	KURNQEONTCJQDC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044666
Cc1nc2c([nH]1)cccc2C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102177854	311.342	SWYURXPEKSOIRC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044667
Cc1nc2n(c1)ccc(c2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319704754	311.342	KYBJQYSUKPBYQJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044668
Cc1nc2n(n1)cc(cc2)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320244760,MCULE-6281920993	311.342	HGFXGYAVXNQRMU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044669
Cc1nn(CC(=O)N2CCCn3nncc3C2)c2ncccc12	ZINC22_829602056,EMOLS-id_316971956,MCULE-8824963172,PC-id_136565788	311.342	WYGOEDVZWVWBCN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044670
n12cc(ccc1nnn2)C(=O)NCc1c2CCCCCc2[nH]n1	EMOLS-id_222773975,MCULE-7633335538,ZINC22_670455383	311.342	GUYFEEXHNLDTFQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044671
Nc1cc2n(n1)CCCN(C2)C(=O)Nc1cc2n(n1)cccc2	EMOLS-id_318950588	311.342	YUDBIVSRFBWBDS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044672
N#CC1(CC1)C(=O)N1CCc2n(CC1)c(nn2)Cn1cccn1	PC-id_97405798	311.342	SNPLMYPHHFPGFP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-044673
N#Cc1cc2n(n1)CCCN(C(=O)[C@@H]1CCc3ncnn3C1)C2	ZINC22_1857725157	311.342	KYMCMKSJUMYSTC-LLVKDONJSA-N	00000000100010000101000000010010000000000000000000000000	31-01-044674
N#Cc1cc2n(n1)CCCN(C(=O)[C@H]1CCc3ncnn3C1)C2	ZINC22_1857725158	311.342	KYMCMKSJUMYSTC-NSHDSACASA-N	00000000100010000101000000010010000000000000000000000000	31-01-044675
N#Cc1ccc(c(c1)NC(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102014356	311.342	RLFPMTMTOVPOIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044676
N#Cc1cc(NC(=O)NC2CCn3c(CC2)nnn3)cc(c1)C	EMOLS-id_102025957	311.342	ZUXXXVZOCLPFLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044677
N#CC1(C(=O)N2CCCn3cnc(Cn4cnnc4)c3C2)CC1	ZINC22_96084685,PC-id_97405508,EMOLS-id_46182393	311.342	XZGGYTLLZZKXRZ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-044678
N#CC1(C(=O)N2CCCn3c(nnc3Cn3cccn3)C2)CC1	PC-id_97405606,ZINC22_96084783,EMOLS-id_46182595	311.342	GSEXHDNHQLYBGJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-044679
O=C(C1CCc2n(CC1)nnn2)Nc1nc2c(n1C)cccc2	EMOLS-id_319804945	311.342	BFLYQTTUBFSPAW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044680
O=C(C1CCc2ncnn2C1)N1CCCn2nc(cc2C1)C#N	EMOLS-id_330454816	311.342	KYMCMKSJUMYSTC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-044681
O=C(c1cccc2c1ncn2C)NC1CCn2c(CC1)nnn2	EMOLS-id_318914602	311.342	IWEHYHUFHXLOAZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044682
O=C(c1cccn2c1nnn2)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_278457330	311.342	BAMWSKWMHFSKCJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044683
O=C(c1ccc[nH]1)N1CCc2n(CC1)c(cn2)Cn1cncn1	PC-id_97390224	311.342	GHMUMZZBIAEPPV-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-044684
O=C(c1ccc[nH]1)N1CCCn2c(C1)c(nn2)Cn1cncc1	PC-id_97405542	311.342	ZHOJLKKONOLZRE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-044685
O=C(c1ccc[nH]1)N1CCCn2c(nnc2Cn2cccn2)C1	EMOLS-id_44370886,PC-id_97519753,ZINC22_96259671	311.342	CLCXXZDQDHHJAH-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-044686
O=C(c1ccn[nH]1)N1CCCn2c(C1)nnc2Cn1cccc1	PC-id_97413615	311.342	MVUUDDSFUYALFB-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-044687
O=C(c1c[nH]cn1)N1CCCn2c(nnc2Cn2cccc2)C1	EMOLS-id_44370852,PC-id_97519735,ZINC22_96259653	311.342	RGSLDSKITMYKRL-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-044688
O=C(c1cnn2c1cccn2)NCc1nnc2n1CCCCC2	EMOLS-id_99765596	311.342	WOARNOHPRXWQQE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044689
O=C(c1ncc2n(c1)cnn2)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319760904	311.342	OKHVSOKDZINPLS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044690
OC(=O)C1(CCCCn2c1cc(c2)C)C(=O)c1cc(ccc1)C	PC-id_70536688	311.375	PLLKTQFGAWFHMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044734
O=C(c1[nH]ccc1)N1CCn2c(CC1)nnc2Cn1cccn1	PC-id_97405799	311.342	MFMXJCLQDRVGMQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-044691
O=C(c1nnc2n1CCCCC2)NCc1cnn2c1nccc2	EMOLS-id_49879804,PC-id_77086216,MCULE-3733375495	311.342	NOIBTIIJNWUIDH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044692
O=C(N1CCCc2c(C1)cnn2C)Nc1cnc2n(c1)ncc2	EMOLS-id_316508295	311.342	QGYHGTOGBVSWIY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044693
O=C(NCc1cccn2nccc12)[C@@H]1CCCCn2nnnc12	ZINC22_1772819431	311.342	LXJPZHDTHFIJIZ-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044694
O=C(NCc1cccn2nccc12)[C@H]1CCCCn2nnnc12	ZINC22_1772819432	311.342	LXJPZHDTHFIJIZ-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044695
O=C(NCc1nnc2n1CCCCC2)c1ccc2[nH]nnc2c1	ZINC22_40489051,CoCoCo_4625745,EMOLS-id_29632883,MCULE-5126236451,CoCoCo_4625747,PC-id_45805016,CoCoCo_4625746	311.342	VJGJOMPMALPUJW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044696
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccsc1C(F)F	MCULE-7612262200,EMOLS-id_320052004	311.35	GGOWAILBCYCGFO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-044697
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cscc1C(F)F	EMOLS-id_320079763,MCULE-9624046695	311.35	JNDFSZHYBXNOCM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-044698
S(c1n2CCCCCc2nn1)c1c(F)cc(cc1F)CO	PC-id_63814301	311.35	OUDMABYBTIHNGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044699
c1(NC(=O)CCC(=O)O)sc2c(CCCCC2)c1C(=O)O	MCULE-2299874929,PC-id_4198584,TIMTEC474035,ZINC22_5376078	311.353	UELLXGZDUZWVLV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044700
COC(=O)C1CCN(c2c(C1=O)csc2)C(=O)OC(C)C	PC-id_58964437,SCHEMBL4770254	311.353	LDIYOBWSNPAZRK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044701
s1c2CCCCCc2cc1C(=O)NC(CC(=O)O)C(=O)O	PC-id_73248149	311.353	OULHEFHHURZOEU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044702
s1c2CCCCCc2cc1C(=O)N(CC(=O)O)CC(=O)O	PC-id_63651792	311.353	WBXLNUBOYYIIIR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044703
s1c2CCCCCc2cc1C(=O)N[C@@H](CC(=O)O)C(=O)O	PC-id_16302472	311.353	OULHEFHHURZOEU-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-044704
CNc1nc(Sc2nnc3n2CCCCC3)c(cc1F)F	PC-id_108369856	311.354	UNFJULLBZIISQJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044705
c1cn(c2=CC=C=CC=c12)S(=O)(=O)C1=CC(=CC=C=C1)CO	PC-id_91187329	311.355	TYGAEVGBDXFYBC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-044706
c12C(=O)NCCCc1nc(NC(=O)CCC(=O)OCC)s2	EMOLS-id_50139195,MCULE-6450904648,PC-id_73168611,ZINC22_208005076	311.357	KGFVVFIRBJYDDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044707
c1(NC(=O)/C(=NO)/N)sc2c(CCCCC2)c1C(=O)OC	MCULE-2012269540,PC-id_53274958	311.357	ZAUAGEMNLYXAHQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044708
CC(=O)OC(C)(C)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625516	311.357	VXAVZYQEZZBKEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044709
CS(=O)(=O)Cc1noc(CN2CCCc3occc3C2)n1	EMOLS-id_99340417,MCULE-6275250378,ZINC22_329646898	311.357	JQVPKOITANNGRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044710
Fc1ccc(c2ccn(Cc3nnc4n3CCCCC4)n2)cc1	ZINC22_278639685,PC-id_121578487,EMOLS-id_76042272,MCULE-5562148874	311.357	LIWBDJRSXHIAIT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-044711
N#CCCCS(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_50354333,ZINC22_159638439,MCULE-7890553490,PC-id_99712346	311.357	FCWKFJMSQHZYBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044712
s1c2c(NC(=O)[C@@H](NC2=O)Cc2c3c([nH]c2)cccc3)cc1	PC-id_16122354	311.358	JKIYLZKXDLWMLL-ZDUSSCGKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044713
s1c(cnc1/N=N/c1c2-c(cc1)ccccc2)C(=O)OCC	PC-id_85950431	311.358	XLKBWNDRXDIPRR-VHEBQXMUSA-N	00000010100000000111000000000010000000000000000000000000	31-01-044714
Cn1cnc(c1)S(=O)(=O)N1CCCn2nc(CO)cc2C1	MCULE-3011268304,EMOLS-id_55710552,PC-id_91797352	311.36	XOCITLMSZMATPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044715
N#CCOCc1nnn2c1CN(CCC2)S(=O)(=O)C1CC1	PC-id_97405179	311.36	HJSUOSVWXNNTGP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-044716
O=S(=O)(N1CCCc2c(C1)cco2)CCCn1cnnn1	EMOLS-id_319278873	311.36	HNRYPGUIPLPKIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044717
CCCCCCc1[se]c2c(c1)CCCCCCC2	PC-id_142757878	311.364	KGUAJDJVZZUSHR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-044718
Fc1cc(F)c(cc1C(c1cc2c(s1)CCCCC2)N)F	PC-id_103301656	311.365	JMZSCZVDXGQJIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044719
NC(c1ccc(c(c1F)F)F)c1cc2c(s1)CCCCC2	PC-id_115855339	311.365	UREUDNPLGLLGOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044720
s1c2c(CCCCC2)cc1C(N)c1c(F)cc(F)cc1F	PC-id_43464441	311.365	KNGCFKGBMNOBGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044721
O=C(N1CCC(C1)(F)C(=O)O)c1cc2c(s1)CCCCC2	PC-id_119258666	311.372	ZWKQGGKIKPCROX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-044722
CCc1ccc(cc1)C(=O)c1ccc2n1CCCCC2C(=O)O	PC-id_20483692,SCHEMBL11196962	311.375	ULOORTNGGSWAKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044723
CCOC(=O)c1cc2c(n1Cc1ccccc1)C(=O)CCCC2	SCHEMBL18250041,PC-id_122705223	311.375	KPTKXKKBWILUGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044724
CCOC(=O)c1cn2c(c1)C(Cc1ccccc1)C(=O)CCC2	SCHEMBL12272459,PC-id_68226826	311.375	LYLNLOLDXKGKKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044725
COC(=O)c1cc(c2-c1ccccc2)C(=O)CN1CCCCC1	PC-id_101134814	311.375	RQNJEPXFDXZRDM-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-044726
COC(=O)C1CCCCn2c1ccc2C(=O)c1ccccc1C	PC-id_20483761,SCHEMBL11202021	311.375	OUEQGLBVNDNKGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044727
COC(=O)C1CCCCn2c1ccc2C(=O)c1cccc(c1)C	SCHEMBL11199288,PC-id_20483878	311.375	WPPVVRUZDHKUHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044728
OC(=O)C1c2n(CCCC1)c(c(c2)CC)C(=O)c1ccccc1	PC-id_20483793	311.375	CREIZCKWBTWODY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044729
OC(=O)C1c2n(CCCC1)c(c(c2)C)C(=O)c1ccc(cc1)C	SCHEMBL11195220,PC-id_20483818	311.375	CUYBIGAZPCZYHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044730
OC(=O)C1c2n(CCCC1)c(c(c2)C)C(=O)c1c(cccc1)C	SCHEMBL11195598,PC-id_20484052	311.375	XUGULEIMQIDUJF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044731
OC(=O)C1c2n(CCCC1)c(c(c2)C)C(=O)c1cc(ccc1)C	SCHEMBL11206561,PC-id_20484230	311.375	GRLNPBRQQPGMPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044732
OC(=O)C1c2n(CCCC1)cc(c2C(=O)c1cc(ccc1)C)C	PC-id_70536690	311.375	HABSUSRTKMRXCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044733
CCCCOCC(=O)N1CCCn2nc(cc2C1)C(O)CO	EMOLS-id_50547087,MCULE-4111711409,PC-id_90653112	311.377	XNLPWOQJKFQBLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044737
CCCCOCC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1	PC-id_100067404,ZINC22_221365933	311.377	XNLPWOQJKFQBLK-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044738
CCCCOCC(=O)N1CCCn2nc([C@H](O)CO)cc2C1	ZINC22_221365886,PC-id_100067403	311.377	XNLPWOQJKFQBLK-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044739
CCOC(C)(C)C(=O)N1CCCn2nc(cc2C1)C(O)CO	EMOLS-id_55643466,PC-id_91774371,MCULE-5041843208	311.377	QJLBNRKYYOEZCY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044740
CCOC(C(=O)N1CCCn2c(C1)cc(n2)[C@H](CO)O)(C)C	PC-id_99974221	311.377	QJLBNRKYYOEZCY-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044741
CCOC(C(=O)N1CCCn2c(C1)cc(n2)[C@@H](CO)O)(C)C	PC-id_99974222	311.377	QJLBNRKYYOEZCY-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044742
O1C(N(C(C1)COCC1n2c(noc2=O)CCCC1)C)(C)C	PC-id_59974991	311.377	WEHMUKQPJCILQO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-044743
o1nc2n(C(CCCC2)CCN(CC(C)C(=O)O)CC)c1=O	PC-id_72611604	311.377	QQJMMFKMMRCCDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044744
o1nc2n(C(CCCC2)CCN(C[C@H](C)C(=O)O)CC)c1=O	PC-id_59974973	311.377	QQJMMFKMMRCCDD-PXYINDEMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044745
o1nc2n(C(CC([N+](=O)[O-])(CCC)CCC)CCCC2)c1=O	PC-id_22901393	311.377	FDBPYSVOMZDZCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044746
O(C1CCn2c(OC1)nc([N+](=O)[O-])c2)CCCCCCCC	PC-id_5280123	311.377	SJYGMIXRNNFCBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044747
O(C1Cn2c(OCC1)nc([N+](=O)[O-])c2)CCCCCCCC	PC-id_5280122	311.377	FSGVUGQLJMDTFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044748
C1CC1CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccccc1	PC-id_134805215	311.378	IFDCSAOBTCEZHN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-044749
CC1CC1C(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751671	311.378	HXYLSZBVVLQIJB-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-044750
CC1(CCC(=Nc2nc3=CCC=CC=c3n2C)C=C1)C(=O)OC	PC-id_91316771	311.378	DPOVBDVFEDKFFB-UHFFFAOYSA-N	00000000100011000111000000000010000000000000000000000000	31-01-044751
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)c1ccc(cc1)O	EMOLS-id_319136876	311.378	DVWMPERPHMYGCX-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-044752
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)Oc1ccccc1	EMOLS-id_320300629,MCULE-9365441039	311.378	ZHZYBUCUYQNPAX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-044753
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)CC(O2)C	MCULE-5153406704,EMOLS-id_319998143	311.378	NOJHZBPATDAVKM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044754
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2c1OC(C2)C	EMOLS-id_319467854	311.378	GJJZZRJSIXJYBA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044755
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)OC1CC1	EMOLS-id_319124465	311.378	UAQIRBBUCHIRJZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-044756
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1OC1CC1	EMOLS-id_320138258,MCULE-9867725295	311.378	CTYXWYMOGQNATC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-044757
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1Cc2c(O1)cccc2	EMOLS-id_319216742	311.378	OZRNFKGAWBAIJA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044758
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc2c(c1)CCO2	EMOLS-id_319244802	311.378	PONFVXJXSIUPHI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044759
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc2c(c1)COC2	EMOLS-id_320333626,MCULE-5684058203	311.378	RECDGEFXWWRZGX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044760
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1OCc2c1cccc2	EMOLS-id_319602154	311.378	DZEHQOPEZXQRNE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044761
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1C[C@H]1c1cccc(c1)O	EMOLS-id_318845420	311.378	ZFKKCHAGUFCBEG-JNMIHDSVSA-N	00100000100000110101100000000010000000000000000000000000	31-01-044762
CC(C1CCc2c(C(=O)C1)c(c[nH]2)C(=O)Nc1ccccn1)C	SCHEMBL6493715,PC-id_9922747	311.378	ZMYCMSBVXNLIAZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-044763
CC(c1ccc(c2-c(c1)c(C)cc2C=NNC(=O)C(=O)N)C)C	EMOLS-id_301188571,MCULE-9632107049	311.378	KTZINEVCBOUGOQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044764
CC(c1ccc(c2-c(c1)c(C)cc2/C=N/NC(=O)C(=O)N)C)C	PC-id_102556216	311.378	KTZINEVCBOUGOQ-AWQFTUOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-044765
CC(=C)COc1cccc(c1)C(=O)N1CCCn2cncc2C1	EMOLS-id_43129361,PC-id_56899766,MCULE-4723215503,ZINC22_72163740	311.378	CPOONVDTHXQEOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044766
C=CCOc1ccc(cc1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318809683	311.378	UOOYGCCWVOKPTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044767
C=CCOc1ccccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320199537,MCULE-8782804117	311.378	ZPGHXXVPSNMZNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044768
C=CCOc1ccccc1NC(=O)c1[nH]nc2c1CCCCC2	CoCoCo_477648,MCULE-5728995346,CoCoCo_477647,ZINC22_12147430,PC-id_46964469,SYN-15666823	311.378	IIYOOBSTODJZPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044769
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C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575405431	311.378	HXYLSZBVVLQIJB-FVQBIDKESA-N	00100000100000101101000000000010000000000000000000000000	31-01-044771
C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575405433	311.378	HXYLSZBVVLQIJB-KBMXLJTQSA-N	00100000100000101101000000000010000000000000000000000000	31-01-044772
C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575405435	311.378	HXYLSZBVVLQIJB-VNQPRFMTSA-N	00100000100000101101000000000010000000000000000000000000	31-01-044773
CNCc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_142636761	311.378	IJXYMHCMXPLFEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044774
CNCc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_9861541,SCHEMBL5736802	311.378	RRPAWXCCEXTQBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044775
O(c1cc2CCCc2cc1)C(=O)N1CCCc2[nH]cnc2CC1	PC-id_20803101	311.378	WUMOFIFLXJACHM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044776
OC1CC(c2c1cccc2)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_177338412,MCULE-1679849568	311.378	WXWJILQKIPUSFF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044777
Oc1ccc(cc1)C1(CC1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318925105	311.378	RTCXXPVODRHTLH-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-044778
O=C1N(CC2CC2)CCCn2nc(cc12)COc1ccccc1	PC-id_72703000	311.378	AOPVVTQUHSETFK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-044779
O=C1N(CC2CC2)CCCn2nc(OCc3ccccc3)cc12	SCHEMBL16270099,PC-id_72714975	311.378	WUWTVBIKTDIMQV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-044780
O=C(C1CCC1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575406790	311.378	TUUFLFHRLFHYET-INIZCTEOSA-N	00001000100000101101000000000010000000000000000000000000	31-01-044781
O=C(C1CCC1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575406791	311.378	TUUFLFHRLFHYET-MRXNPFEDSA-N	00001000100000101101000000000010000000000000000000000000	31-01-044782
O=C(C1CCC1)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751683	311.378	TUUFLFHRLFHYET-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-044783
O=C(c1ccc2c(c1)OCC2)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319624138	311.378	WQXRTLWCCKWMNY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044784
O=C(c1cccc2c1COC2)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319282801	311.378	FATVJWIXUHUPJG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044785
O=C(c1cnc2n1CCCCC2)NCC1Cc2c(O1)cccc2	EMOLS-id_318521848	311.378	LPSIJYANBLLGNI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044786
O=C(c1cnc2n1CCCCC2)NCc1ccc2c(c1)CCO2	EMOLS-id_318748653	311.378	TYCBYVXGXOITRI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044787
O=C(c1cnc2n1CCCCC2)NCc1ccc2c(c1)COC2	EMOLS-id_318663730	311.378	SEVIPSYXEJSDAA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044788
O=C(c1cnc2n1CCCCC2)NCc1cccc2c1OCC2	EMOLS-id_318621721	311.378	IUHCHOSSFFHMNZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044789
O=C(c1cnc2n1CCCCC2)NCC1COc2c1cccc2	EMOLS-id_318525704	311.378	LLOYJYJSUFLNGM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044790
O=C(c1cnc2n1CCCCC2)N[C@@H]1CO[C@H]1c1ccccc1	EMOLS-id_319623320	311.378	INRBYXLKMUAXIC-PBHICJAKSA-N	00001000100000110101100000000010000000000000000000000000	31-01-044791
O=C(c1noc2c1CCCCC2)N1CC(C1)Nc1ccccc1	EMOLS-id_318952038	311.378	JOIYXGRCZUZKFA-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-044792
O=C(c1noc2c1CCCCC2)N1CCCC1c1cccnc1	EMOLS-id_100948197	311.378	OAXXJGMEXVYWAN-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-044793
O=C(c1noc2c1CCCCC2)N1CCCC1c1ccncc1	EMOLS-id_111824530	311.378	PPVFWBRWMGIXDV-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-044794
O=C(c1noc2c1CCCCC2)Nc1ccc2c(c1)N(C)CC2	EMOLS-id_101034007	311.378	YFPNAKZAMDGBCH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044795
O=C(CC1CC1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575406033	311.378	MKDXTZFUROPOED-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-044796
O=C(CC1CC1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575406215	311.378	MKDXTZFUROPOED-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-044797
O=C(CC1CC1)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751835	311.378	MKDXTZFUROPOED-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-044798
O=C(Cn1cc2c(n1)CCCCC2)Nc1cccc(c1)C(=O)C	CoCoCo_2192279,PC-id_20892454	311.378	MRIFLULCETXANX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044799
O=C(Cn1cc2c(n1)CCCCC2)Nc1ccc(cc1)C(=O)C	PC-id_20892424,CoCoCo_2192250,ChEMBL-DNDi_CHEMBLC881-0933	311.378	RJLYWVSOYXMPAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044800
O=C(Cn1c(=O)nc2-c1ccccc2)NCCC1=CCCCC1	MCULE-7134548735,EMOLS-id_320084337	311.378	PKEWBAGFIHGXFS-UHFFFAOYSA-N	00000010100011000111000000000010000000000000000000000000	31-01-044801
O[C@@H]1C[C@](C1)(c1ccccc1)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_320238984,MCULE-5466216544	311.378	SSWMGPOZFDNJNJ-RHNCMZPLSA-N	00001000100000110101100000000010000000000000000000000000	31-01-044802
O=C(N1CCc2c(C=C1)cn(n2)C(C)C)OCc1ccccc1	PC-id_141193710	311.378	QYPVIVZOWYIVPN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-044803
O=C(N1CCCc2c(C1)cco2)c1ccc(nc1)NCC1CC1	EMOLS-id_318384311,MCULE-5089820681	311.378	OXHQANDYYQOZLU-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-044804
O=C(N1CCCc2c(C1)cco2)c1ccnc(c1)NC1CCC1	EMOLS-id_278814202,MCULE-5090578844	311.378	FDXMYBAXOBKCMR-UHFFFAOYSA-N	00001000100000101100000000000010000000000000000000000000	31-01-044805
O=C(N1CCCc2c(C1)cco2)NC(c1ccccn1)C1CC1	EMOLS-id_318429163	311.378	OOMIUUMVHWWRCC-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-044806
O=C(N1CCCc2c(C1)cco2)NC(c1ccncc1)C1CC1	EMOLS-id_318734312	311.378	YSUJBGXBHSLPKT-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-044807
O=C(N1CCCc2[nH]cnc2CC1)CCC(=O)c1ccccc1	PC-id_20803037	311.378	JMXVOBDULFDNCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044808
O=C(N1CCN(CC1)C)c1c2-c(c(NC(=O)C)c1)ccccc2	PC-id_3042908	311.378	ATAKQBIXCCDTDI-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-044809
O=C(N[C@@H]1C[C@@H](O)c2ccccc12)c1cnc2n1CCCCC2	ZINC22_585114259	311.378	WXWJILQKIPUSFF-GDBMZVCRSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044810
O=C(N[C@H]1C[C@@H](O)c2ccccc12)c1cnc2n1CCCCC2	ZINC22_585114260	311.378	WXWJILQKIPUSFF-GOEBONIOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044811
O=C(N[C@H]1C[C@H](O)c2ccccc12)c1cnc2n1CCCCC2	ZINC22_585114261	311.378	WXWJILQKIPUSFF-HOCLYGCPSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044812
O=C(N[C@@H]1C[C@H](O)c2ccccc12)c1cnc2n1CCCCC2	ZINC22_585114262	311.378	WXWJILQKIPUSFF-ZBFHGGJFSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044813
[O-][N+](=O)C1=CC=C(CC1)NCCc1c[nH]c2=C(C)CC=CC=c12	SCHEMBL19114616	311.378	ZDRSBIDPRVGUBW-UHFFFAOYSA-N	00000000100011000110000000000010000000000000000000000000	31-01-044814
c1(C(C(C)C)NC(=O)OCCOC)nnc2CCNCCn12	EMOLS-id_36435726,MCULE-7888075556,PC-id_56707991	311.38	YVJBQWQLDUCRMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044815
COCCOC(=O)N[C@H](c1nnc2n1CCNCC2)C(C)C	PC-id_95207908,ZINC22_67754440	311.38	YVJBQWQLDUCRMK-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044816
COCCOC(=O)N[C@@H](c1nnc2n1CCNCC2)C(C)C	ZINC22_67754442,PC-id_95207909	311.38	YVJBQWQLDUCRMK-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044817
COCC(=O)N1CCCn2nnc(COCCN(C)C)c2C1	ZINC22_96084348,EMOLS-id_46181705,PC-id_97405175	311.38	ZEABWMHVCDBLOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044818
s1c2CCCCCc2cc1C(=Nc1n2c(nn1)cccc2)[O-]	PC-id_39030995	311.381	CGGGZIRXAIESCM-UHFFFAOYSA-M	00000000100000100101000001000010000000000000000000000000	31-01-044819
c12nnnn1CCCCC2C(=O)N1CCCC1c1ccccc1	MCULE-9689209546,EMOLS-id_49643038,PC-id_74232101	311.382	VBTJJNBXVVZWNF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-044820
c1(cn2c(CCNCC2)n1)C(=O)N1CCCC1c1cccnc1	EMOLS-id_330476866,MCULE-3248453545	311.382	PJIIYXHNNNGJNF-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-044821
Cc1cccc(c1)C1(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102162721	311.382	PHAXRNFYEJYVFI-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-044822
Cc1ccc(CN2CCc3ncc(Cn4cccn4)n3CC2)o1	PC-id_97467079,EMOLS-id_44328799,ZINC22_96196935	311.382	VNMJVINIAHUGMO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-044823
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1)NC1CC1	EMOLS-id_319227986	311.382	VSQPZXNBVJEQPA-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-044824
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(nc1C1CC1)C	MCULE-9877852915,EMOLS-id_320250549	311.382	GNHDIVOJNBYHIR-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-044825
Cc1nc(nc(c1)C1CC1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318450684	311.382	SZEZQVMKOKPRHN-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-044826
CC(C)c1nnc2n1CCN(C(=O)/C=C/c1cccnc1)CC2	EMOLS-id_232720596,ZINC22_11786008,PC-id_42166214,ChEMBL-DNDi_CHEMBL23487041	311.382	GBLIXMYTHPXDIZ-AATRIKPKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044827
C=CCC(c1ccncc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320285190,MCULE-5244404738	311.382	WSAUKHOTSIILHI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044828
CC(C)N1Cc2cncn2C[C@H](COc2ccc(C#N)cn2)C1	ZINC22_96208950,PC-id_97477077	311.382	OPOBXRNEWXNLNC-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044829
CC(C)N1Cc2cncn2C[C@@H](COc2ccc(C#N)cn2)C1	ZINC22_96208951,PC-id_97477078	311.382	OPOBXRNEWXNLNC-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044830
CC(C)N1CC(COc2ccc(cn2)C#N)Cn2cncc2C1	EMOLS-id_49232531	311.382	OPOBXRNEWXNLNC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-044831
C[C@H](O)c1cc2n(n1)CCCN(Cc1nc3ccccc3[nH]1)C2	PC-id_100026549,ZINC22_218793235	311.382	LRWAZCICIFAQKO-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044832
C[C@@H](O)c1cc2n(n1)CCCN(Cc1nc3ccccc3[nH]1)C2	ZINC22_218793153,PC-id_100026547	311.382	LRWAZCICIFAQKO-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044833
CC(O)c1cc2CN(Cc3nc4ccccc4[nH]3)CCCn2n1	MCULE-5209454373,EMOLS-id_50528753,PC-id_90648141	311.382	LRWAZCICIFAQKO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044834
CN1Cc2c(C1=O)cc(cc2)NCc1nnc2n1CCCCC2	MCULE-7791780902,EMOLS-id_318629394	311.382	LSNZPANIYFQKKN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044835
N=c1cc2n([nH]1)CCCN(C(=O)NC[C@H]1Cc3ccccc13)C2	ZINC22_1875394311	311.382	DRIAPNJMJHGLSZ-CYBMUJFWSA-N	00001000100000100101001000000010000000000000000000000000	31-01-044836
N=c1cc2n([nH]1)CCCN(C(=O)NC[C@@H]1Cc3ccccc13)C2	ZINC22_1875394312	311.382	DRIAPNJMJHGLSZ-ZDUSSCGKSA-N	00001000100000100101001000000010000000000000000000000000	31-01-044837
NCc1ccc(cc1C)C(=O)N1CC(=C)Nc2c(C1)cnn2C	PC-id_143188915	311.382	NZTYRCMFQQAOMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044838
O=C1N(C)Cc2c1cccc2NCc1nnc2n1CCCCC2	EMOLS-id_318198650,MCULE-5204034110	311.382	UAURFMOMNPHVAW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044839
O=C(C1(CCC1)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102166381	311.382	ZUTWQAKYCFOQED-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-044840
O=C(C1CCc2c1nccc2)NCc1nnc2n1CCCCC2	EMOLS-id_98760119	311.382	LEXDJCFRDGZWFG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044841
O=C(c1ccc(c2c1CCC2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102175472	311.382	NFQHJSNQCUMYBU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044842
O=C(c1cccnc1C1CC1)NCc1nnc2n1CCCCC2	EMOLS-id_99352729	311.382	FJYJIRFZQBCILN-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-044843
O=C(C1CCn2c(CC1)nnc2)N1CC(C1)Nc1ccccc1	EMOLS-id_319555164	311.382	UUGYWXPNTOYWGC-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-044844
O=C(C1CCn2c(CC1)nnc2)NCC1CCc2c1nccc2	EMOLS-id_316687871	311.382	ZUVPFBWGMKDOQY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044845
O=C(C1CCn2c(CC1)nnn2)Nc1cccc(c1)C1CCC1	EMOLS-id_318157536	311.382	MCOOVHLNSNLMCY-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-044846
O=C(C1CCn2c(CC1)nnn2)Nc1ccc(cc1)C1CCC1	EMOLS-id_318766656	311.382	ZFOUWINIFOEQMJ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-044847
O=C(c1ccnc(c1)C1CC1)NCc1nnc2n1CCCCC2	EMOLS-id_99308021	311.382	QJKOPCBGGWVLQO-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-044848
O=C(c1cn2c(n1)CCNCC2)N1CCC[C@H]1c1cccnc1	ZINC22_1857736879	311.382	PJIIYXHNNNGJNF-HNNXBMFYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-044849
O=C(c1cn2c(n1)CCNCC2)N1CCC[C@@H]1c1cccnc1	ZINC22_1857736881	311.382	PJIIYXHNNNGJNF-OAHLLOKOSA-N	00000010100000101101100000000010000000000000000000000000	31-01-044850
O=C(c1cnc2n1CCCCC2)N1CCCC1c1ncccn1	EMOLS-id_278452630	311.382	BVOSLAAGWYGQNQ-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-044851
O=C(c1cnc2n1CCCCC2)N1CCC(C1)c1nccnc1	MCULE-9391619832,EMOLS-id_320023803	311.382	LXQYWVTVCJPVNY-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-044852
O=C(c1cnc2n1CCCCC2)Nc1ccnc(n1)C1(C)CC1	EMOLS-id_318440619	311.382	OLGMKTADMYRWOL-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-044853
O=C(c1cnc2n1CCCCC2)NC1CN(C1)c1ccccn1	EMOLS-id_319159092	311.382	HRKWUYXKUOOBJB-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-044854
O=C(c1cnc2n1CCCCC2)NCc1ncc2c(n1)CCC2	MCULE-3393519197,EMOLS-id_318661395	311.382	YAXNCNXVBXIRLJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044855
O=C(c1n[nH]c2c1CCCCC2)N1CCC(C1)c1ncccn1	EMOLS-id_318847541	311.382	MMOTYZCOMDDPTK-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-044856
O=C(c1n[nH]c2c1CCCCC2)N1CCC(C1)c1nccnc1	EMOLS-id_318866647	311.382	QTZFJDILWDFUDX-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-044857
O=C(c1n[nH]c2c1CCCCC2)NC1CN(C1)c1ccccn1	EMOLS-id_319990256,MCULE-3786606104	311.382	FSNQVAWQIWKNSK-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-044858
O=C(Cc1ccc2c(c1)CCC2)NC1CCn2c(CC1)nnn2	EMOLS-id_102168226	311.382	QIEMOALDURIUCE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-044859
O=C([C@@H]1CCCCn2nnnc12)N1CCC[C@H]1c1ccccc1	PC-id_97864882,ZINC22_97272405	311.382	VBTJJNBXVVZWNF-CABCVRRESA-N	00000010100000110101100000000010000000000000000000000000	31-01-044860
O=C([C@H]1CCCCn2nnnc12)N1CCC[C@@H]1c1ccccc1	PC-id_97864885,ZINC22_97272408	311.382	VBTJJNBXVVZWNF-LSDHHAIUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-044861
O=C([C@@H]1CCCCn2nnnc12)N1CCC[C@@H]1c1ccccc1	ZINC22_97272406,PC-id_97864883	311.382	VBTJJNBXVVZWNF-HUUCEWRRSA-N	00000010100000110101100000000010000000000000000000000000	31-01-044862
O=C([C@H]1CCCCn2nnnc12)N1CCC[C@H]1c1ccccc1	ZINC22_97272407,PC-id_97864884	311.382	VBTJJNBXVVZWNF-GJZGRUSLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-044863
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O=C(Nc1nc2c(s1)CCCCC2)NCC1(O)COCC1	EMOLS-id_110346990	311.4	ZVGMQYCGYCRGAY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-044956
O=C(N[C@@H]1COC[C@H]1O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101430744	311.4	ZOKRILSNNSKYGI-GHMZBOCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-044957
OC(=O)CCCNC(=O)Nc1sc2c(n1)CCCCCC2	MCULE-1049233162,EMOLS-id_72881235,PC-id_122092683	311.4	KBDIYZTYKRWMJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044958
OC(=O)C(CN(C(=O)Nc1nc2c(s1)CCCCC2)C)C	PC-id_122074607,EMOLS-id_72854231,MCULE-3722238480	311.4	SIKCYMRQXBWOFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044959
OC(=O)CCN(C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_72881241,PC-id_122092686,MCULE-4139366967	311.4	YDISMHZLCWAWDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044960
O=S(=O)(C1CC1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	PC-id_100326759,ZINC22_223883293	311.4	GFQQBPBKIGEPJG-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-044961
O=S(=O)(C1CC1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_230501712	311.4	GFQQBPBKIGEPJG-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-044962
c1(c2ccccc2[nH]c1)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323300240,MCULE-6921227658	311.401	KPKMEZDTDVARGK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044963
c1(NC(=O)c2ccncc2)sc2c(CCCCCC2)c1C#N	TIMTEC187886,SPECS-id_AK-968/11987215,CoCoCo_684015,MCULE-2603682089,ZINC22_433780,EMOLS-id_2017890,PC-id_571632	311.401	HDOUSKZYWLCSRD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-044964
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc2c(cc[nH]2)c1	MCULE-9172739790,EMOLS-id_323291527	311.401	LYTZLJIQMYZKDL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044965
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc2c([nH]cc2)c1	EMOLS-id_323327107,MCULE-2695293920	311.401	WUTCPPHXPIWIDN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044966
c1(sc2c(CCCCC2)n1)NC(=O)c1cccc2c1cc[nH]2	EMOLS-id_323337875,MCULE-5261929196	311.401	CXCQDHKWEALJBA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044967
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c(s1)cccc2	EMOLS-id_318893813	311.401	SNTMFMKWRJUUDY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044968
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1csc2c1cccc2	EMOLS-id_319323080	311.401	PKCRVHLHZQSLQQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044969
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)cc[nH]2	EMOLS-id_319557283	311.401	OIQBIJXOQZQGNY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044971
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)[nH]cc2	EMOLS-id_318954941	311.401	FYUMYQJRVKEEEQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044972
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc2c1[nH]cc2	EMOLS-id_318921363	311.401	KDVJLQVVCIAQCY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-044973
CNC(=O)c1ccccc1SC1=CCc2c(C=C1)c([nH]n2)C	PC-id_143224180	311.401	PWSABVXCNBOGHW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-044974
N#Cc1ccc(cc1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319338271	311.401	KGEJAOXOQNUEPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044975
N#Cc1cccc(c1C)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319573684	311.401	UZZFOMRDYYXDMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-044976
N#Cc1ccc(cc1)C(N1CCCc2c(C1)ccs2)C(=O)N	EMOLS-id_318728208	311.401	GNZHRBIQNYKESF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044977
N#Cc1ccc(cc1)NCC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318615925	311.401	NSLAUWJPWKQENE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044978
N#Cc1ccc(cc1)NCC(=O)N1CCCCc2c1ccs2	EMOLS-id_318482656	311.401	JYFLWJPTEDIRAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044979
N#Cc1cccc(c1)NC(=O)CN1CCCc2c(C1)ccs2	EMOLS-id_318452276	311.401	WUYRFOBBYWKWNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044980
N#Cc1ccc(cc1)NC(=O)CN1CCCc2c(C1)ccs2	EMOLS-id_318670455	311.401	TZSOJIALKQBSRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044981
N#Cc1ccc(cc1)NC(=O)CN1CCCCc2c1ccs2	EMOLS-id_318635059	311.401	QEIFIKXLDRMIOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044982
N#Cc1cccc(c1)NC(=O)CN1CCCCc2c1ccs2	EMOLS-id_318756678	311.401	OSMGNYSMIXKJMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044983
N#Cc1c(NC(=O)c2cccnc2)sc2c1CCCCCC2	CoCoCo_5815237,PC-id_903163	311.401	QLIRJWARFBZWSO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-044984
N#Cc1c[nH]ccc1=NC(=O)c1csc2c1CCCCCC2	ZINC22_2325765166	311.401	OFTOJAMJRQPTLB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-044985
O=C(Nc1nc2ccccc2[nH]1)c1cc2c(s1)CCCCC2	EMOLS-id_3671945,CoCoCo_3232614,MCULE-1727301086,PC-id_4793573,ZINC22_6648369,CoCoCo_3232613	311.401	CHECINXREOIPEV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-044986
s1c2CCCCCc2c(c1NC(=O)Nc1ccccc1)C#N	PC-id_4248940	311.401	WUEIBLSRSQQVMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-044987
c12CN(CCCn1nc(C#N)c2)C(C)CNS(=O)(=O)CC	EMOLS-id_222752514,MCULE-2031959483	311.403	MJCLANQNPLUUBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044988
CCS(=O)(=O)NC[C@@H](C)N1CCCn2nc(C#N)cc2C1	ZINC22_670435475	311.403	MJCLANQNPLUUBT-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044989
CCS(=O)(=O)NC[C@H](C)N1CCCn2nc(C#N)cc2C1	ZINC22_670435476	311.403	MJCLANQNPLUUBT-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-044990
O=S(=O)(C1C2C1CCCC2)NC1CCn2c(CC1)nnn2	MCULE-2519747492,EMOLS-id_319461428,PC-id_146102646	311.403	PHIBCBQJYFOMAE-UHFFFAOYSA-N	00100000100010000101010000000010000000000000000000000000	31-01-044991
O=S(=O)(N[C@@H]1CCc2nnnn2CC1)C1[C@@H]2CCCC[C@@H]12	ZINC22_1875368783	311.403	PHIBCBQJYFOMAE-GMTAPVOTSA-N	00100000100010000101010000000010000000000000000000000000	31-01-044992
O=S(=O)(N[C@@H]1CCc2nnnn2CC1)C1[C@H]2CCCC[C@H]12	ZINC22_1875368785	311.403	PHIBCBQJYFOMAE-VWYCJHECSA-N	00100000100010000101010000000010000000000000000000000000	31-01-044993
O=S(=O)(N[C@@H]1CCc2nnnn2CC1)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_1875368782	311.403	PHIBCBQJYFOMAE-DCQANWLSSA-N	00100000100010000101010000000010000000000000000000000000	31-01-044994
O=S(=O)(N[C@H]1CCc2nnnn2CC1)[C@@H]1[C@H]2CCCC[C@@H]12	ZINC22_1875368784	311.403	PHIBCBQJYFOMAE-MEWQQHAOSA-N	00100000100010000101010000000010000000000000000000000000	31-01-044995
s1c2CN(CCCc2nc1N=C(N)N)CCC(=O)OCC	PC-id_10470719	311.403	JPVFDPGAGBOCRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044996
S(c1n2CCCCCc2nn1)CC(=O)N(CC(=O)NC)C	PC-id_8379273	311.403	YBJWMBMWOUFQNB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044997
S(c1n2CCCCCc2nn1)CC(=O)NCC(=O)NCC	PC-id_8379463	311.403	GTLKXNKRPMMPSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044998
S(c1n2CCCCCc2nn1)CC(=O)NCC(=O)N(C)C	PC-id_8379614	311.403	DVHXWWXPUPTCBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-044999
S(c1n2CCCCCc2nn1)CC(=O)NC(=O)NC(C)C	PC-id_7876708	311.403	PUUKISMSZCMSNA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045000
S(c1n2CCCCCc2nn1)CC(=O)NC(=O)NCCC	PC-id_7877153	311.403	XLRMTYFRBXROPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045001
S(CC1OC(CC1)C(=O)NN)c1n2CCCCCc2nn1	PC-id_63581913	311.403	BVLHKKSPNBFYPH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045002
S(C(C(C)C)C(=O)NC(=O)N)c1n2CCCCCc2nn1	PC-id_78559256	311.403	AUNRIRACYBRCPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045003
S([C@@H](C(C)C)C(=O)NC(=O)N)c1n2CCCCCc2nn1	PC-id_7877155	311.403	AUNRIRACYBRCPG-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-045004
S([C@H](C(C)C)C(=O)NC(=O)N)c1n2CCCCCc2nn1	PC-id_7877157	311.403	AUNRIRACYBRCPG-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045005
c1(c2ccccc2)sc(cn1)CN1CCn2c(nnc2)CC1	EMOLS-id_30489842,MCULE-8105232836,CoCoCo_1480471,PC-id_26335673,ZINC22_14980158,CoCoCo_1480472	311.405	LJXSDHGURNXLLC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-045006
c1ccc(c2csc(CN3CCc4nncn4CC3)n2)cc1	CoCoCo_1463072,EMOLS-id_20629857,ZINC22_14970712,CoCoCo_1463073,PC-id_26328464,MCULE-7465532033	311.405	QCSDPSWQETXJHS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-045007
N#C/C(=C(/Nc1ccccc1)S)/c1nnc2n1CCCCC2	CoCoCo_3721601	311.405	NODBRMYLSKUVMV-DTQAZKPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045008
SC(=C(c1n2c(CCCCC2)nn1)C#N)Nc1ccccc1	MCULE-2952348814,EMOLS-id_26163260	311.405	NODBRMYLSKUVMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045009
S/C(=C(/C#N)c1nnc2CCCCCn12)/Nc1ccccc1	EMOLS-id_45572186,CoCoCo_3721600	311.405	NODBRMYLSKUVMV-SSZFMOIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045010
S=C(Nc1ccccc1)/C(=C
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S=C(Nc1ccccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_6828387	311.405	XLQMYTQARASTKM-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-045012
CCc1ccc(C(C)(C)C(=O)N2CCCc3occc3C2)cc1	ZINC22_564369050	311.418	KWJNRRVCGQOFBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045013
o1c2CCN(CCc2cc1)C(=O)CCCCCc1ccccc1	PC-id_19600053,SCHEMBL8440011	311.418	OLGPZFARWHHTJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045014
o1c2CN(CCCc2cc1)C(=O)CCCCCc1ccccc1	SCHEMBL8436143,PC-id_19600277	311.418	SQUBPDVUIJVYGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045015
[O-][N+](=Cc1c2-c(c(c1)C(=O)C)cccc(C(C)C)c2)C(C)(C)C	PC-id_59962329	311.418	QBDBAWSSDVMPEP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045016
ONC(C=Cc1c2-c(c(c1)C=O)c(ccc(C(C)C)c2)C)(C)C	PC-id_54339668	311.418	TYAIUTFMTOHTPW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045017
Cc1cc(c(s1)S(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_100771985	311.42	YESJJAWUAYEXJI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-045018
Cc1sc(cc1C)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99304466	311.42	AGMXBKGBSDZLSU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-045019
COC[C@H](C)OC[C@H](O)CN1Cc2c[nH]nc2CC(C)(C)C1	ZINC22_952893195	311.42	SRHRFMPEOSONAT-GXTWGEPZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045020
COC[C@H](C)OC[C@@H](O)CN1Cc2c[nH]nc2CC(C)(C)C1	ZINC22_952893198	311.42	SRHRFMPEOSONAT-JSGCOSHPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045021
COC[C@@H](C)OC[C@@H](O)CN1Cc2c[nH]nc2CC(C)(C)C1	ZINC22_952893199	311.42	SRHRFMPEOSONAT-OCCSQVGLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045022
COC[C@@H](C)OC[C@H](O)CN1Cc2c[nH]nc2CC(C)(C)C1	ZINC22_952893201	311.42	SRHRFMPEOSONAT-TZMCWYRMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045023
COCC(OCC(CN1Cc2cn[nH]c2CC(C1)(C)C)O)C	EMOLS-id_316178783,MCULE-8421368683	311.42	SRHRFMPEOSONAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045024
s1c2c(CCCCC2)cc1C(=O)N1C(CSC1)C(=O)O	PC-id_43100123	311.42	VXPFHQOYXWFSDZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045025
s1c2c(CCCCC2)cc1C(=O)N1[C@@H](CSC1)C(=O)O	PC-id_29049507	311.42	VXPFHQOYXWFSDZ-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-045026
c1(c2CCCCCc2[nH]n1)C(=O)N(C(C)C)Cc1ccccc1	MCULE-4556803051,EMOLS-id_334737399	311.421	LQGDNOKKDWXDCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045027
c1cc2n(c1)C[C@@H](OCc1ccncc1)CN(CC1CCC1)C2	ZINC22_253588395	311.421	BBAVJVKNQBTLGJ-IBGZPJMESA-N	00001000100000101101000000000010000000000000000000000000	31-01-045028
c1cc2n(c1)C[C@H](OCc1ccncc1)CN(CC1CCC1)C2	ZINC22_253588396	311.421	BBAVJVKNQBTLGJ-LJQANCHMSA-N	00001000100000101101000000000010000000000000000000000000	31-01-045029
c1ccc(cc1)CC1(COCC1)CN1CCCc2c(C1)c[nH]n2	EMOLS-id_320165682,MCULE-9677912022	311.421	KUACNOYMKUXSMR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-045030
c1(C(O)C2CC2)cc2n(CCCN(CCc3ccccc3)C2)n1	EMOLS-id_50540641,MCULE-1412960024,PC-id_90651382	311.421	FIYALHWUQHQZHP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-045031
c1(C(=O)Nc2ccccc2C(C)CC)c2CCCCCc2[nH]n1	EMOLS-id_334957785,MCULE-2487144411	311.421	SEFQLILIDFRKFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045032
c1(C(=O)Nc2ccccc2C(C)(C)C)c2CCCCCc2[nH]n1	EMOLS-id_335010247,MCULE-7540579448	311.421	LAQCYYHJQSXDEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045033
c1(C(=O)Nc2ccc(cc2)CCCC)c2CCCCCc2[nH]n1	MCULE-1751007525,EMOLS-id_334980046	311.421	RODMOULHUFMADC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045034
c1(C(=O)Nc2ccc(cc2)C(C)(C)C)c2CCCCCc2[nH]n1	MCULE-4535422061,EMOLS-id_334970319	311.421	ZNYRXDBADFQNME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045035
c1(C(=O)Nc2ccc(c(C)c2)C(C)C)c2CCCCCc2[nH]n1	EMOLS-id_334997440,MCULE-1276746384	311.421	QGXNMTRIRIITOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045036
c1(C(=O)NC(C)c2ccc(CC)cc2)c2CCCCCc2[nH]n1	MCULE-2903049651,EMOLS-id_334986197	311.421	GRXDEMGTGJDVMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045037
c1(C(=O)NC(C)CCc2ccccc2)c2CCCCCc2[nH]n1	MCULE-3226305999,EMOLS-id_323249849	311.421	XVYSFYDVFSKYAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045038
c1(C(=O)NCCCCc2ccccc2)c2CCCCCc2[nH]n1	MCULE-4461496656,EMOLS-id_334970590	311.421	VBEZEKMHIPTIMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045039
Cc1ccc(cc1)CCNC(=O)Cn1cc2c(n1)CCCCC2	PC-id_20892452,CoCoCo_2227292	311.421	SKMCFEVVMKQMRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045040
Cc1ccc(cc1)CNC(=O)Cn1nc2c(c1)CCCCCC2	MCULE-1556328672,PC-id_20892485,ChEMBL-DNDi_CHEMBLC881-1279,CoCoCo_2227298,EMOLS-id_16087315	311.421	PNHBQQCDGACSMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045041
Cc1cc(C)c(c(c1)C)NC(=O)Cn1cc2c(n1)CCCCC2	CoCoCo_2192278,PC-id_20892453	311.421	LOXNVTDEPQSTPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045042
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c(C)cc(cc1C)C	EMOLS-id_319794047	311.421	GUYUZGJFGIKJGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045043
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Cc1ccccc1C)C	EMOLS-id_318868127	311.421	IKNMXVUWQQBAGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045044
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccc(cc1C)C	EMOLS-id_318878632	311.421	LBBASGBOIJGSCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045045
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(c1ccccc1)(C)C	EMOLS-id_319375953	311.421	SRNVXICQBOVANM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045046
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Cc1ccccc1)(C)C	MCULE-4546792043,EMOLS-id_320064718	311.421	ARZUWNOAUZLXIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045047
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(c1ccccc1C)C	MCULE-8240922977,EMOLS-id_320312653	311.421	TYUJHJUKHSGQAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045048
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCC(c1ccccc1)C	EMOLS-id_318771106	311.421	RSEYFIJPOOGOAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045049
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCCc1ccccc1	EMOLS-id_318942381	311.421	BQAWTVPQCFYFJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045050
CCc1ccc(cc1)C(C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_318046631	311.421	ZPOQSRDWRBQHHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045051
CCc1cccc(c1NC(=O)Cn1cc2c(n1)CCCCC2)C	PC-id_16012212,EMOLS-id_24386877,CoCoCo_2192282,CHEMBL1363508,MCULE-5775236439	311.421	KVFGHTVCIZDNJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045052
CCC(c1ccccc1)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319646720	311.421	YPCBASASOKJXOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045053
CCCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)c1ccccc1	EMOLS-id_319215447	311.421	PDESFYTUFLKXBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045054
CC(NC(=O)c1ccc2n1CCCN(C2)Cc1ccccc1)C	MCULE-2577488472,EMOLS-id_317417817	311.421	ASGRMFNFBQOASK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045055
COc1ccc(/C=C/CNCc2n[nH]c3c2CCCCC3)cc1	ZINC22_952981419,EMOLS-id_290015016	311.421	WOJYFUVSNOMZQF-AATRIKPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045056
C(OC1CN(CC2CCC2)Cc2cccn2C1)c1ccncc1	EMOLS-id_50008580	311.421	BBAVJVKNQBTLGJ-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-045057
n1c(CNCC=Cc2ccc(cc2)OC)c2c(CCCCC2)[nH]1	MCULE-8657911742	311.421	WOJYFUVSNOMZQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045058
O=C(Cn1cc2c(n1)CCCCC2)Nc1ccc(cc1)C(C)C	CoCoCo_2192285,EMOLS-id_16087257,PC-id_20892458	311.421	JTMFGOUZYIPRGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045059
O=C(Cn1cc2c(n1)CCCCC2)NC[C@@H](c1ccccc1)C	CoCoCo_2192288	311.421	JKGWLIHAZVNFFL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045060
O=C(Cn1cc2c(n1)CCCCC2)NC[C@H](c1ccccc1)C	CoCoCo_2192289	311.421	JKGWLIHAZVNFFL-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045061
O[C@@H](c1cc2n(n1)CCCN(CCc1ccccc1)C2)C1CC1	PC-id_100065910,ZINC22_221198418	311.421	FIYALHWUQHQZHP-LJQANCHMSA-N	00100000100000110101000000000010000000000000000000000000	31-01-045062
O[C@H](c1cc2n(n1)CCCN(CCc1ccccc1)C2)C1CC1	PC-id_100065911,ZINC22_221198479	311.421	FIYALHWUQHQZHP-IBGZPJMESA-N	00100000100000110101000000000010000000000000000000000000	31-01-045063
O=C(N1CCCc2[nH]cnc2CC1)c1ccc(C(C)(C)C)cc1	PC-id_20803086	311.421	SZRAODFWEDIKPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045064
O=C(NC(c1ccccc1)C)Cn1nc2CCCCCCc2c1	PC-id_20892489	311.421	APFMRNAEFMSEOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045065
O=C(NCC(c1ccccc1)C)Cn1nc2CCCCCc2c1	PC-id_20892461	311.421	JKGWLIHAZVNFFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045066
O=C(NCCc1ccccc1)Cn1nc2CCCCCCc2c1	PC-id_20892491	311.421	JLWJVKVDJYQELZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045067
O=C(N[C@H](c1ccccc1)C)Cn1nc2c(c1)CCCCCC2	CoCoCo_2192326	311.421	APFMRNAEFMSEOL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045068
O=C(N[C@@H](c1ccccc1)C)Cn1nc2c(c1)CCCCCC2	CoCoCo_2192327	311.421	APFMRNAEFMSEOL-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045069
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(s1)C	EMOLS-id_319554262	311.423	UDTUXACEIDEECE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-045070
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1sccc1C	EMOLS-id_319257517	311.423	FZBQKIXWFZSQMY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-045071
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1scc(c1)C	EMOLS-id_319463002	311.423	XUCWRKZZGUAHHY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-045072
Cc1ccc(s1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946000	311.423	GXJIVKKTUCCBES-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-045073
Cc1ccsc1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948559	311.423	NYPXQDBIMUYJKN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-045074
Cc1csc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101951016	311.423	UJDJVKLYQCAMIT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-045075
CCn1cnnc1SCC1(C)COc2cscc2OC1	MCULE-1411555380,EMOLS-id_316296884,ZINC22_1775993621	311.423	SNGFWECJNGVEDK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045076
CC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_953823,ZINC22_558572	311.423	HTWQRJHLEPHXQV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045077
O=C(CN1CCSC1=O)Nc1nc2c(s1)CCCCC2	ZINC22_14810410,PC-id_16606446,EMOLS-id_30194390,MCULE-4162174784	311.423	LZQIFZSONYDGKI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045078
O=C(CN1CSCC1=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_44038032,MCULE-9324764177,PC-id_45803426,ZINC22_44894794	311.423	DVGSTOMQKGSNRK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045079
C1CC(C1)NCc1ncn2c1CN(CCC2)Cc1cccnc1	PC-id_97405474	311.425	HIQZZFBIMLNABQ-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-045080
c1cc(C2CCN(Cc3cc4n(n3)CCCNC4)CC2)ccn1	MCULE-7044801982,ZINC22_72153738,PC-id_56895810,EMOLS-id_43113583	311.425	UDUOAOXQNWBMHC-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-045081
C1CCC(C1)c1ccc(cc1)CNC1CCn2c(CC1)nnn2	EMOLS-id_318180381,MCULE-4978479731	311.425	AVINOAOYCRMVPU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-045082
c1ccc(cc1)C1CCC(CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102028139	311.425	NYNSWMAHHQIDPE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-045083
c1ccc(cc1)C1CCCCC1NC1CCn2c(CC1)nnn2	EMOLS-id_102028190	311.425	CMDDZBWTRAKMNA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-045084
c1ccc(cc1)C1CCCC(C1)NC1CCn2c(CC1)nnn2	EMOLS-id_318608307	311.425	NBCMWWSEGYPDAG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-045085
c1ccc(cc1)C1CNCCN1Cc1nnc2n1CCCCC2	EMOLS-id_318149520,MCULE-5195059635	311.425	JVDJTJWBQQWUAV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-045086
c1ccc(cc1)CC1CCCC1NC1CCn2c(CC1)nnn2	EMOLS-id_318152600,MCULE-9605964743	311.425	LMPHRIMWVZMHAM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-045087
c1ccc(cc1)CC1CCC(C1)NC1CCn2c(CC1)nnn2	MCULE-3707850784,EMOLS-id_318070698	311.425	VSIWETCMMYLZDW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-045088
c1ccc(cc1)NC1CCN(C1)Cc1nnc2n1CCCCC2	MCULE-9038532181,EMOLS-id_318784520	311.425	WXPSFMWXTBBEFP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-045089
c1ccc(C[C@@H]2CC[C@H](N[C@@H]3CCc4nnnn4CC3)C2)cc1	ZINC22_564809796	311.425	VSIWETCMMYLZDW-BBWFWOEESA-N	00000010100000110101000000000010000000000000000000000000	31-01-045090
c1ccc(C[C@@H]2CC[C@@H](N[C@@H]3CCc4nnnn4CC3)C2)cc1	ZINC22_564809797	311.425	VSIWETCMMYLZDW-GVDBMIGSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-045091
c1ccc(C[C@@H]2CC[C@H](N[C@H]3CCc4nnnn4CC3)C2)cc1	ZINC22_564809798	311.425	VSIWETCMMYLZDW-ULQDDVLXSA-N	00000010100000110101000000000010000000000000000000000000	31-01-045092
c1ccc(C[C@@H]2CC[C@@H](N[C@H]3CCc4nnnn4CC3)C2)cc1	ZINC22_564809799	311.425	VSIWETCMMYLZDW-YESZJQIVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-045093
c1ccc(CN2Cc3nccn3C[C@H](CN3CCCC3)C2)nc1	ZINC22_96188354,PC-id_97462793	311.425	CCJWIGHJQVHNOD-MRXNPFEDSA-N	00000010100000101101000000000010000000000000000000000000	31-01-045094
c1ccc(CN2Cc3nccn3C[C@@H](CN3CCCC3)C2)nc1	ZINC22_96188355,PC-id_97462794	311.425	CCJWIGHJQVHNOD-INIZCTEOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-045095
CC1(CCC(C1)NC1CCn2c(CC1)nnn2)c1ccccc1	EMOLS-id_102000522	311.425	PUFREIHQIXOGLB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-045096
Cc1ccc(cc1)C1CCCC1NC1CCn2c(CC1)nnn2	EMOLS-id_318757658	311.425	RJILFYJRMGJDCC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-045097
Cc1cc(C)c(c(c1)C)C=CCNC1CCn2c(CC1)nnn2	MCULE-5993675805,EMOLS-id_318039827	311.425	KPEIYHVDHHFSSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045098
Cc1cc(C)c(cc1C=CCNC1CCn2c(CC1)nnn2)C	MCULE-7475412963,EMOLS-id_318094263	311.425	KNYUCUHRIHXWBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045099
C(C1CN(Cc2ccccn2)Cc2nccn2C1)N1CCCC1	EMOLS-id_44326195	311.425	CCJWIGHJQVHNOD-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-045100
CCC(c1nnc2n1CCCCC2)NC1CCc2c1nccc2	EMOLS-id_318562773,MCULE-8525468398	311.425	IFGRGQZJCZTDKL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045101
NC1CC(c2c1cccc2)NC(c1nnc2n1CCCCC2)C	PC-id_121677315	311.425	XSHLUZGBRZNJQH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045102
N#Cc1ccc(cc1)/C=C/C[N@H+]1CCc2c(CC1)nc(s2)N	GLL_PC-id_9819640	311.425	BBJKCOWGGAALHQ-OWOJBTEDSA-O	00000000100000110101000000000010000000000000000000000000	31-01-045103
NCCC1CN(c2c1cccc2)Cc1nnc2n1CCCCC2	EMOLS-id_318679337,MCULE-1075650860	311.425	OEHZQKAAUZPKAV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045104
N[C@@H]1CN(C[C@H]1c1ccccc1)Cc1nnc2n1CCCCC2	EMOLS-id_318555203,MCULE-5363264295	311.425	LPCFJDYBDVUTHM-JKSUJKDBSA-N	00000010100000110101100000000010000000000000000000000000	31-01-045105
COCCc1nsc(n1)Sc1nnc2n1CCCCC2	EMOLS-id_97692342	311.426	SGKXDDIHIGYYDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045106
S(c1n2CCCCCc2nn1)Cc1sc(OCC)nn1	PC-id_60604261	311.426	AMGKUFVAINAZBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045107
[O-]C(=O)CCCC(c1c2-c(cc(CC(C)C)cc1)c(cc2)C)C	PC-id_21692882	311.438	KTQVKEOZAOZKBC-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-045108
CC1(CCCCC1)CS(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99303056	311.44	LVSNNDUVFRXOGD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-045109
CC1CN(Cc2c(O1)c(cs2)C(C)C)C(=O)OC(C)(C)C	PC-id_86668493,SCHEMBL9903184	311.44	GRRGZSOQRFZFGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045110
CCCc1csc2c1OC(CN(C2)C(=O)OC(C)(C)C)C	PC-id_86668491	311.44	QLLNKYYWSNKWQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045111
CCC(NC(=O)c1sc2c(c1)CCCCCC2)(CO)CO	PC-id_103602326	311.44	YSSZDJDKGDUIFZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045112
COCCC(CNC(=O)c1cc2c(s1)CCCCC2)(O)C	PC-id_103712539	311.44	NONHNYNXULOETG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045113
COCC(CCNC(=O)c1sc2c(c1)CCCCCC2)O	PC-id_103877533	311.44	OUFOHNDJOCBBOV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045114
COCC(NC(=O)c1cc2c(s1)CCCCC2)(CCO)C	PC-id_110002773	311.44	FVHOCWWEAAWTPO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045115
COCCN(C(=O)c1sc2c(c1)CCCCCC2)CCO	PC-id_115772585	311.44	PGFCNGQQFZTRMH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045116
OCC(CN(C(=O)c1cc2c(s1)CCCCC2)C)(CO)C	PC-id_109879588	311.44	JTRXOWHBHUALHU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045117
OCCC(NC(=O)c1sc2c(c1)CCCCCC2)COC	PC-id_103799561	311.44	IVANPVWDRPKDDH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045118
OCCOCCCNC(=O)c1sc2c(c1)CCCCCC2	PC-id_104007777	311.44	IMVQTWWRIHXAIY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045119
O=S(=O)(N1CCCc2c(C1)cco2)CCC1CCCCC1	EMOLS-id_101316034	311.44	KDFJMOZIMMDHNM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-045120
s1c2CCCCCc2cc1C(=O)NCC(OCC)OCC	PC-id_78909908	311.44	RYKXVKSBBMXPDI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045121
s1c2CCCCCCc2cc1C(=O)N(CC(O)COC)C	PC-id_61582844	311.44	JLPQCFOROHWMIL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045122
s1c2c(n(CCC(=O)O)c1=O)CCCCCCCCCC2	PC-id_43286901	311.44	BIHMZFVBQSLHGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045123
CNCCC(c1ccccc1)OC1=CC=CCc2c1ccs2	PC-id_142895180	311.441	LWMPKFIOMOILLD-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-045124
s1c2CCCCCc2cc1C(=O)Nc1cc2CCCc2cc1	PC-id_7920777	311.441	SXNGRYUTICDXAZ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-045125
c12CN(CCCn1nc(CCC(=O)O)c2)CCC(C)SC	EMOLS-id_43152226,PC-id_56907551,MCULE-5636661551	311.443	IWZWHBSGCBGWJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045126
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CC1CCC(C1)C	EMOLS-id_319311734	311.443	FNOPIHRFYWGZCT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045127
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)C[C@@H]1CCC[C@H]1C	EMOLS-id_319966664,MCULE-9059151774	311.443	IBNKNAGNTNJNRV-HDYSRYHKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045128
CC1CC(C1)(C)CS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-7227351420,EMOLS-id_320198233	311.443	WOLMAMPMEYXFLB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-045129
CC(C)(C)OC(=O)C1(CCCc2c(CC1)sc(n2)N)NC	SCHEMBL19820752,PC-id_134214817	311.443	IIIWSASYJQHEQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045130
CCC(NC(=O)Nc1nc2c(s1)CCCCC2)(CO)CC	PC-id_96800705	311.443	AFFPKJQOTFBADH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045131
C[C@@H]1C[C@@]1(C)S(=O)(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319826433	311.443	LCUSWZWNYPXCSR-IAQYHMDHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-045132
C[C@@H]1CCC[C@H]1CS(=O)(=O)N1CCCc2c(C1)cnn2C	MCULE-4826775171,EMOLS-id_320301196	311.443	UOWMPJUSEHOFPH-OLZOCXBDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045133
Cn1ncc2c1CCCN(C2)S(=O)(=O)CC1CCCCC1	EMOLS-id_101948436	311.443	WIYJINBZGACDQS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045134
Cn1ncc2c1CCCN(C2)S(=O)(=O)CCC1CCCC1	EMOLS-id_101951007	311.443	FARUCCYNUAMAKS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045135
CNCC(C(C(=O)Nc1sc2c(n1)CCCCCC2)C)O	EMOLS-id_319433554	311.443	BHHYHSZCYZEXSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045136
CN(C(=O)Nc1sc2c(n1)CCCCCC2)CC(O)(C)C	EMOLS-id_111890415	311.443	NMHYYPRYKGLTAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045137
CS[C@@H](C)CCN1CCCn2nc(CCC(=O)O)cc2C1	ZINC22_72463345,PC-id_95889165	311.443	IWZWHBSGCBGWJZ-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045138
CS[C@H](C)CCN1CCCn2nc(CCC(=O)O)cc2C1	ZINC22_72463346,PC-id_95889166	311.443	IWZWHBSGCBGWJZ-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045139
O=C(NC(C(O)(C)C)(C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_111083882	311.443	KTAGOUWKIRSYLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045140
OC(=O)C(CCCCSc1nnc2n1CCCCC2)(C)C	PC-id_106714443	311.443	KPMJJDNGHUATTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045141
O=S(=O)(CC1CCCC1)NCc1n[nH]c2c1CCCCC2	MCULE-1093303328,EMOLS-id_222782071,ZINC22_670462209	311.443	KXNKEQXWAAIHIP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045142
S(c1n2CCCCCc2nn1)CCCCCC(=O)OCC	PC-id_64295437	311.443	WBQQXSQWOMYSQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045143
CSc1ccc(cc1)NC1=CC(=C(C)CCc2n1ncc2)C	PC-id_142946972	311.444	MRFADFUPLDOQPB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-045144
C1CCc2c(CC1)sc(n2)/N=C/c1c([nH]c(=S)s1)O	PC-id_135672204	311.446	UPZARASFFKMHJU-AWNIVKPZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045145
CSCC[C@H](C(=O)NC(c1nnc2n1CCCCC2)C)N	PC-id_104907407	311.446	GJWCGNFSASWLGN-RRKGBCIJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045146
s1c2CCCCCc2nc1N/C=C/1SC(=S)NC1=O	PC-id_21236047	311.446	VEBJDTCECBHDHF-TWGQIWQCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045147
s1c2CCCCCc2nc1NC=C1SC(=S)NC1=O	PC-id_73750481	311.446	VEBJDTCECBHDHF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045148
s1c2C(NC)C(=O)N(CCc2nc1)CN(CCN(C)C)C	PC-id_23554775	311.446	QLKOUNDMMWHDQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045149
S(c1n2CCCCCc2nn1)CCCCC(N)(C)C(=O)N	PC-id_61933385	311.446	FPVCYMMDRHUTEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045150
S(c1n2CCCCCc2nn1)CCC(NCCC)C(=O)N	PC-id_63034143	311.446	YJRGGDDJDNZGMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045151
S(c1n2CCCCCc2nn1)CCC(NC(C)C)C(=O)N	PC-id_63034678	311.446	GMNAWVYBRNPOEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045152
S=c1n2CCCCCc2nn1CN(CC(=O)NCCC)C	PC-id_8260433	311.446	BKQUBEIDTLXKKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045153
S=c1n2CCCCCc2nn1CN(CC(=O)NC(C)C)C	PC-id_9317549	311.446	LLPSPJXHAGKTMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045154
S(CCCC(C)(C)/C(=N/O)/N)c1n2CCCCCc2nn1	PC-id_65258364	311.446	UGOVUOIOWWGWBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045155
S(CCCC(NC)(C)C(=O)N)c1n2CCCCCc2nn1	PC-id_61932978	311.446	JMANRZGHQHXLFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045156
S(CC[C@H](N)C(=O)NC(c1n2CCCCCc2nn1)C)C	PC-id_61179168	311.446	GJWCGNFSASWLGN-DTIOYNMSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045157
S(CCC(NCC)(C)C(=O)N)c1n2CCCCCc2nn1	PC-id_61935460	311.446	MAFSVTJORVJRKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045158
S(C(CC(NC)(C)C(=O)N)C)c1n2CCCCCc2nn1	PC-id_64709712	311.446	NZXJEOMLRDQYCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045159
S(CCC(N)C(=O)NC(c1n2CCCCCc2nn1)C)C	PC-id_76887554	311.446	GJWCGNFSASWLGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045160
S(CC(NCCC)(C)C(=O)N)c1n2CCCCCc2nn1	PC-id_61932980	311.446	WUBIDIHISMECOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045161
S(CC(NC(C)C)(C)C(=O)N)c1n2CCCCCc2nn1	PC-id_61932981	311.446	UNTJXKQUYREJDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045162
S(CC(O)CN1CCNCC1)c1n2CCCCCc2nn1	PC-id_65449651	311.446	OOCPLPRPGANCST-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045163
CCCCNC(=O)CCc1ccc(cc2-c1ccc2C)C(C)C	SCHEMBL9340010,PC-id_19892627	311.461	XWNSOMYJBGADEP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045164
O=C(N(c1c2-c(cc(C(C)C)cc1)c(cc2)C)CCCC)CC	PC-id_19892626	311.461	KVAFKTZYNOKXES-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045165
O=C(NCCCCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)C	PC-id_85664777	311.461	GLXMPIGCENLAQL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045166
O=C(c1cc2c(s1)CCCCC2)NCC1(O)CSCC1	PC-id_111597265	311.463	AXMVPIYDKCYXFC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-045167
O=S(=O)(C1CC2C1CCC2)N1CCCc2c(C1)ccs2	EMOLS-id_319256113	311.463	RSOLPIQLMQTFLB-UHFFFAOYSA-N	00001010100000000100001000000010000000000000000000000000	31-01-045168
CC(Cc1ccc(cc1)C(c1nnc2n1CCCCCC2)C)C	SCHEMBL4537551,PC-id_10403210	311.464	UJDQHRQQDMWONC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045169
CC(Cc1ccc(cc1)[C@@H](c1nnc2n1CCCCCC2)C)C	PC-id_60085898,SCHEMBL14587258	311.464	UJDQHRQQDMWONC-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045170
CCCC[C@H](c1nnc2n1CCCCCC2)c1ccc(cc1)C	PC-id_142840564	311.464	FGKVOEWVLLFYMC-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045171
CCn1nc(c2c1CCCNC2CCc1ccc(c(c1)C)C)C	PC-id_68528838,SCHEMBL3147396	311.464	LUWFYLKYZOUBSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045172
n12CCCCCCc1nnc2C(c1ccc(C(CC)C)cc1)C	PC-id_85139746	311.464	VOPXRRWESJLICR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045173
n12CCCCCCc1nnc2[C@@H](c1ccc(C(CC)C)cc1)C	PC-id_10425598	311.464	VOPXRRWESJLICR-OEMAIJDKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045174
CNC1C(=O)N(CCc2c1scn2)CC1CCCCS1	SCHEMBL14171185,PC-id_23554645	311.466	UTDDMZMSYXSFQX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045175
CNC1C(=O)N(CCc2c1scn2)CC1CCCSC1	SCHEMBL14171189,PC-id_23554649	311.466	KUOVKOVIFZMAKP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045176
CNC1C(=O)N(CCc2c1scn2)CC1CCSCC1	PC-id_23554653,SCHEMBL14171191	311.466	UHCXAWLJTBYXSK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045177
O=C(Nc1nc2c(s1)CCCCC2)CC1CSCCN1	PC-id_119935914,MCULE-2142663598,EMOLS-id_302202883	311.466	JAGNGOJTHWWLTQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045178
O=C(Nc1nc2c(s1)CCCCC2)NCC1CSCC1	EMOLS-id_111976018	311.466	PECDRWDROVXNOF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045179
s1c2c(CCCCCC2)c(OCC(O)CNC(C)(C)C)c1	PC-id_10828856	311.483	VMLHEMBCOCDHSX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045180
S(c1n2CCCCCc2nn1)CCNCCN(CC)CC	PC-id_62579213	311.489	DDTRQJCBDVLQQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045181
CCCSCCCNC(=O)c1csc2c1CCCCC2	MCULE-9096227249,PC-id_20881888,EMOLS-id_16062885,CoCoCo_2171611,ChEMBL-DNDi_CHEMBLC760-1072	311.506	KTTSTNKKXDSJOU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045182
S(CC1(CCCCC1)CS)c1n2CCCCCc2nn1	PC-id_80039562	311.509	MWDHRXWXWXLXSG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045183
ClC(Cl)(Cl)C(=O)c1n2c(CN(P)C=CC2)cc1	PC-id_21054578	311.532	XNDVNVLYNZFECZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-045184
ClC1(Cl)N(C(=O)c2n(c(Cl)nc2N(C1=O)C)C)C	PC-id_616492	311.552	BVITXZPXLCCDCK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045185
O=C(c1ccc(c(c1F)F)Cl)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318915036	311.714	YOLZYXZQSQYRJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045186
C=Cc1c2-c(n(c1=O)Oc1ccc(cc1C)Cl)ccccc2	SCHEMBL14584124,PC-id_58796727	311.762	LLLHTSIKSLJCCM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-045187
c1ccc(cc1)C(CCl)NC(=O)c1nnc2-c1ccccc2	PC-id_91022687	311.766	MCZVEAUVEJPLHM-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-045188
Cc1ncc(cc1N=C(C)c1c2-c(ccccc2)[nH]c1=O)Cl	PC-id_136478320	311.766	JKLVOEJLWLLVLL-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-045189
CC(c1ccc(cc1)Cl)NC(=O)c1nnc2-c1ccccc2	PC-id_91541109	311.766	FRGWZHUBXGGOIU-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-045190
Clc1cnc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077167	311.766	JKLVOEJLWLLVLL-RGVLZGJSSA-N	00000010100000101110000000000010000000000000000000000000	31-01-045191
O=C(C1(Cl)CC2OC1CC2)NC1CCn2c(CC1)nnn2	MCULE-2163440605,EMOLS-id_258112617	311.767	LMTRUOARVCJQNL-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-045192
ClCc1nc2c(n1Cc1nc3=CCC=CC=c3[nH]1)nccc2	PC-id_142896639	311.769	KZHVFSSLGZCBDB-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-045193
Clc1sc(C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_60746984	311.787	KGZOLUUZMQKWJE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-045194
O=S1(=O)CCc2nnc(Cc3ccc(Cl)cc3)n2CC1	ZINC22_865214978,MCULE-9424923803,EMOLS-id_316949323,PC-id_136557089	311.787	ZCUXYOMNBAVCGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045195
Clc1ncnc(Sc2n3CCCCCc3nn2)c1CO	PC-id_81684778	311.79	SIVVIXFPIPDHAG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-045196
Clc1ncnc(Sc2n3CCCCCc3nn2)c1OC	PC-id_81724239	311.79	BKOYUTBMIWYZBN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-045197
Clc1scc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318930149	311.79	KLPIHTVBYGSILT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-045198
O=C(C1CCn2c(CC1)nnn2)NCc1cscc1Cl	EMOLS-id_320265809,MCULE-6824661515	311.79	JYKYEFWPSBUKTB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-045199
O=C(c1scc(c1Cl)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102178001	311.79	WMTMIWZUXCSVSA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-045200
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccsc1Cl	EMOLS-id_319372074	311.79	ULQRWJKKKPMWER-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-045201
Clc1c(Sc2n3CCCCCc3nn2)nc(nc1)NN	PC-id_80931219	311.794	NJJCKGILZSVLDU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-045202
Clc1nc(Sc2n3CCCCCc3nn2)nc(NC)n1	PC-id_80883573	311.794	RCIOPYQUSQJPDU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-045203
Clc1c(CSc2n3CCCCCc3nn2)ccc(F)c1	PC-id_47096060	311.805	UQQSRJLARXKYPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045204
CCCN1CCC(=NO)c2c(C1=O)n(CCCCCl)cc2	SCHEMBL9040156,PC-id_85240895	311.807	YIDUAGSQFSDODH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045205
ClCCCCn1c2c(/C(=N/O)/CCN(C2=O)CCC)cc1	PC-id_10710195	311.807	YIDUAGSQFSDODH-GHRIWEEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-045206
ClCCCCn1c2c(/C(=N/O)/CCN(C(C)C)C2=O)cc1	PC-id_10710196	311.807	YARGRYHPYWGYAO-GHRIWEEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-045207
ClCCCCn1c2c(C(=NO)CCN(C(C)C)C2=O)cc1	SCHEMBL9039317,PC-id_85240896	311.807	YARGRYHPYWGYAO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045208
Clc1cnc(s1)CNC(c1nnc2n1CCCCC2)C	PC-id_104878572	311.834	UJVWUWIDDLXKFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045209
Clc1n(nc(c1CSc1n2CCCCCc2nn1)C)C	PC-id_60796874	311.834	YCDLMMCTNHMZSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045210
CC1CCN(CC1Cl)C(=O)c1cc2c(s1)CCCCC2	PC-id_102961277	311.87	ITCRCUNOLXYMFC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-045211
ClC1CC(C1)CN(C(=O)c1sc2c(CCCCC2)c1)C	PC-id_65996872	311.87	RWJBZUPBCLPQCP-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-045212
ClC1CCC(C1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_106127361	311.87	SMZDFTSMSZWOTH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-045213
ClC1CCCC1CNC(=O)c1cc2c(s1)CCCCC2	PC-id_114303071	311.87	HEZBJZBROWWLGZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-045214
ClC1CCC(CC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_114296920	311.87	LRBTUUOONRUGKK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-045215
ClC1CCCCC1NC(=O)c1cc2c(s1)CCCCC2	PC-id_114301134	311.87	BFLLMUVARFIYFC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-045216
ClC1CCN(CC1C)C(=O)c1cc2c(s1)CCCCC2	PC-id_114683082	311.87	STXLPKXZVZFOSG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-045217
ClCC1CCCC1NC(=O)c1cc2c(s1)CCCCC2	PC-id_106366079	311.87	CBKDLNADJQAVRS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-045218
ClCC1(CCCC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_114300525	311.87	KIZNGBRPVHPCIL-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-045219
ClCC1C(C)CCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_102786524	311.87	DGMUQJDDDGTCDF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-045220
ClCC1CCCN(C1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63393190	311.87	CAJORTJQOJHOCG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-045221
ClCC1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63398346	311.87	BSSHFOSPTNUDNX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-045222
ClCC1N(CCCC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63395639	311.87	VABLOCFJXXIUAJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-045223
ClCCC1CCN(C1)C(=O)c1cc2c(s1)CCCCC2	PC-id_114801244	311.87	SPRVKAIXTAJLQH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-045224
ClCCC1(CNC(=O)c2cc3c(s2)CCCCC3)CC1	PC-id_114757890	311.87	BSZVCETZYRTJOO-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-045225
ClCCN(C(=O)c1cc2c(s1)CCCCC2)C1CCC1	PC-id_102872714	311.87	AWKBWVKKABXTHH-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-045226
Clc1ccc(s1)CC(c1cc2c(s1)CCCCC2)N	PC-id_115841843	311.893	AHZOWLHPJYETGH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-045227
Clc1c(scc1)C(NC)c1sc2c(CCCCC2)c1	PC-id_80528933	311.893	KZVXVOQUTPILMT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-045228
Clc1sc(C(NC)c2sc3c(CCCCC3)c2)cc1	PC-id_43485377	311.893	NROSBEOBBLWPNE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-045229
NC(c1cc(c(s1)Cl)C)c1cc2c(s1)CCCCC2	PC-id_102763346	311.893	FSRMVKXIUFSCGV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-045230
BrC(=Cc1cc2-c(c1)ccccc2)Br	PC-id_12122192	312	NUSYJFYXAIASLI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045231
Brc1c2c(sc1Br)CCNNC2	SCHEMBL5556309,PC-id_69486334	312.025	YAXWCBQWVNKCJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045232
CCOC(=O)C1=C2C(=CN1)SN[C@@H](C(=O)C2=O)C(C)(C)O	PC-id_154021888	312.078	HLPVGCCGQUIDCH-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-045233
C1CN(C(=O)Cn2c1cc(n2)Br)CC(F)(F)F	PC-id_135342442,SCHEMBL20516724	312.086	PADVYEKWYHZTBJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045234
COC(=O)c1c(I)cc2-c1ccccc2	PC-id_121008702	312.103	OUMIHWLXEPTJBA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045235
Ic1c2-c(c(c1)C(=O)OC)ccccc2	PC-id_15257573	312.103	XJFSQYZQSNPDEF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045236
Ic1c2-c(c(OC(=O)C)cc2)cccc1	PC-id_11174399	312.103	AMSYKWSVVROSTA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045237
Ic1sc2CCN(P)CCc2n1	SCHEMBL14154266,PC-id_71088709	312.111	MSUZUSBFDBYWBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045238
C1COCCN2C1=NN=C2COC3=NN(C=C3)C4=CC=CC=N4	EMOLS-id_317288950,MCULE-8210740688,PC-id_154765053	312.133	WXKRWAZCCUABKK-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-045239
CC1=CN2CCN(CCC2=N1)C(C)C3=CC4=C(C=C3)SC=N4	PC-id_154685628	312.141	UNGFGUFBHDDGHP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045240
CC1=NC2=C(N1)CCN(CC2)C(C)C3=CC4=C(C=C3)SC=N4	PC-id_154685642	312.141	ZOZXANJPWKHUSK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045241
CC1=NN2CCN(CCC2=C1)C(C)C3=CC4=C(C=C3)SC=N4	PC-id_154685781	312.141	ASVFULHSAUNLGC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045242
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)N(N=C4)C	PC-id_154685624	312.141	BCWSAPAMJIUPBO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045243
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CN(N=C4CC3)C	PC-id_154685579	312.141	VSEWUYKQOBTYFR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045244
CC(C1=CC2=C(C=C1)SC=N2)N3CCCC4=C(C3)N(N=C4)C	PC-id_154685790	312.141	OSSDVWQVYPFRIE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045245
CC(C1=CC2=C(C=C1)SC=N2)N3CCCC4=CN(N=C4C3)C	PC-id_154685789	312.141	RNBSVKQXWMWVMN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045246
CC(C1=CC2=C(C=C1)SC=N2)N3CCCC4=NN(C=C4C3)C	PC-id_154685596	312.141	AZOCJFHIUHFAQT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045247
OB(c1cc2-c(c1S(=O)(=O)c1ccccc1)ccccc2)O	PC-id_101374444	312.148	WMQYFXNDPIDOEV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-045248
Brc1ccc(o1)CNC1CCn2c(CC1)nnn2	MCULE-1734863667,EMOLS-id_318316220	312.166	JODOKFQAURISOL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045249
CCC=NC(C)/C=C(C=C/C)/C1=NC2=C(S1)C=CC(C=C2)C	PC-id_154662563	312.166	ZFTNFEAAFAGTSD-JETUSSNMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-045250
Cc1oc2c(c1)C(CCNC2)Oc1cccc(c1Cl)Cl	PC-id_68028692,SCHEMBL10078928	312.191	PQYRPOQDGDCLJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045251
Clc1cc(OC2CCN(Cc3c2occ3)C)ccc1Cl	PC-id_68409336,SCHEMBL2838001	312.191	YOUPKRTXQJVLRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045252
Clc1cc(OC2CCN(Cc3occc23)C)ccc1Cl	SCHEMBL2836555,PC-id_68409877	312.191	VELCPESLMRKNDL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045253
Clc1cc(OC2CN(CCc3occc23)C)ccc1Cl	PC-id_68412283,SCHEMBL2842029	312.191	QCJSNVQVTODLLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045254
Clc1c(OC2CCN(Cc3c2occ3)C)cccc1Cl	SCHEMBL2839108,PC-id_25027799	312.191	NVZBDUIBRBEQPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045255
Clc1c(OC2CCN(Cc3occc23)C)cccc1Cl	SCHEMBL2836900,PC-id_24970327	312.191	MXOHSQUXNTUQCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045256
Clc1c(OC2CCN(Cc3occc23)C)ccc(Cl)c1	PC-id_68411295	312.191	LABBLCCKCWOKBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045257
Clc1c(OC2CCN(Cc3occc23)C)cc(Cl)cc1	PC-id_68411105	312.191	LYCOZCVQRGGUHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045258
Clc1c(OC2CCN(Cc3occc23)C)c(Cl)ccc1	PC-id_68413146	312.191	ZCVGJMCYWPHSGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045259
c12cncn1CCCN(Cc1cc(Cl)cc(Cl)c1O)C2	ZINC22_72124076,PC-id_56882980,MCULE-8188663688,EMOLS-id_43060840	312.194	OBHVOVVIQOATJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045260
Clc1ccc(c(c1)Cl)OCc1nnc2n1CCCCC2	PC-id_1879735,CHEMBL1335017,ChEMBL-DNDi_CHEMBL1335017,STOCK2S-35308,ZINC22_2251542,MCULE-8334902834,EMOLS-id_2703935,CoCoCo_2593238	312.194	JVNYZOJQUUWJHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045261
Clc1ccc(c(c1)Cl)CNC1CCn2c(CC1)nnn2	EMOLS-id_318125670	312.198	QRGRZRSHOBTNAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045262
Clc1c(cccc1Cl)CNC1CCn2c(CC1)nnn2	EMOLS-id_318315196	312.198	HWLYKMMMUZXMMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045263
Clc1ccc(c(c1)CNC1CCn2c(CC1)nnn2)Cl	EMOLS-id_318257429	312.198	JWSDHCIVOWPMDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045264
Clc1cccc(c1CNC1CCn2c(CC1)nnn2)Cl	EMOLS-id_318314684	312.198	OSJYASTVWLUHDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045265
Clc1cc(CNC2CCn3c(CC2)nnn3)ccc1Cl	EMOLS-id_318015810	312.198	NXMCUFXXWJTQRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045266
Clc1cc(CNC2CCn3c(CC2)nnn3)cc(c1)Cl	EMOLS-id_318116104	312.198	ZDQYOPRWKPGMCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045267
Clc1cnc(c(c1)Cl)NCc1nnc2n1CCCCC2	MCULE-5688062278,EMOLS-id_318262186	312.198	RETOBZXGNIYCBH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045268
Clc1c2CCN(CCc2sc1Cl)Cc1ccccc1	PC-id_58256121,SCHEMBL1182038	312.257	HORPABJCKITPEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045269
Clc1c(CC2CCc3sccc3NC2)ccc(Cl)c1	PC-id_70532434	312.257	IYINGDSXKAGPMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045270
Clc1c(CN2CCc3c(scc3)CC2)ccc(Cl)c1	PC-id_70556362	312.257	GEMOXEHWZHESRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045271
Clc1c(CN2CCc3c(scc3)CC2)c(Cl)ccc1	PC-id_20481314	312.257	CASHVQUHZAMKSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045272
OCC(n1nnc(c1)C(=O)N1CCCc2c(C1)cco2)(F)F	EMOLS-id_319255946	312.272	YBAVNTHQTFDBJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045273
O=C(N1CCCc2c(C1)cco2)NCc1onc(n1)C(F)F	EMOLS-id_318461427	312.272	ZPGFLSJNORVHIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045274
C1C=C(C=Nc2c1c(c[nH]2)C(=O)c1c(ccc(c1F)N)F)C#N	PC-id_91096597	312.274	DJOHVWVEGRZFEW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-045275
OCC(n1nnc(c1)C(=O)N1CCCc2c(C1)c[nH]n2)(F)F	EMOLS-id_319808814	312.275	XTZVODNSOKBDMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045276
PN1CCC(CC1)CN1CCCC(=O)c2c1nn(c2)P	SCHEMBL19364059	312.288	GILOCFIESFWDAC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045277
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc([nH]1)C(F)(F)F	EMOLS-id_318904799	312.29	FNKOHKDCTOOQJL-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-045278
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c[nH]c(c1)C(F)(F)F	EMOLS-id_319213320	312.29	XJYZYEFBJPPXFR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-045279
C1C=C(C(=C(c2c1[nH]cc2CCN=C(N)N=C(N)N)F)F)F	PC-id_134604113,SCHEMBL20258604	312.294	YUYNSYWRZWDOQQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-045280
FC(c1ccc(nn1)NCc1nnc2n1CCCCC2)(F)F	MCULE-5241830599,EMOLS-id_318050001	312.294	OLWFBYRJGWEVLO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-045281
FC(c1ccnc(n1)NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318166569,MCULE-1698656993	312.294	PFZVEOUNWOOWOB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-045282
O=C(c1cc2c(s1)c(=O)cccn2)c1ccc(cc1)[N+](=O)[O-]	PC-id_140984134	312.3	UVLXQAPOTVJNQF-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-045283
O=C(c1sc2c(c1[N+](=O)[O-])ncccc2=O)c1ccccc1	PC-id_139785570	312.3	XAAAGMNGOCDVAI-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-045284
O=C1c2c([nH]cc2C(=O)Nc2cc3OCOc3cc2)CCCC1	PC-id_9926774,SCHEMBL5735800	312.32	XCKULDMPCDTBJK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045285
O1CCN(CCn2c1nc([N+](=O)[O-])c2)CC(=O)OC(C)(C)C	SCHEMBL14965944,PC-id_71569176	312.322	JELVSUIWOUWXDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045286
Fc1cncc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026683	312.323	PNBJPRZJTKEFAK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045287
o1c(/C=C(c2n3CCCCCc3nn2)/C#N)ccc1C(=O)OC	PC-id_60612316	312.323	GZLSWTOGFHWURS-LUAWRHEFSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045288
o1c(C=C(c2n3CCCCCc3nn2)C#N)ccc1C(=O)OC	PC-id_76879038	312.323	GZLSWTOGFHWURS-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045289
O=C1c2ncn(CCc3cc(ccc3)C(=O)OC)c2NC=NC1	PC-id_10615009	312.323	CFJYDRXVWNJSRA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-045290
O=C1c2ncn(CCc3ccc(cc3)C(=O)OC)c2NC=NC1	PC-id_10662903	312.323	LSQSLABUIMSTCV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-045291
OC(c1c2-c(nc(n2)N)ccn(c1=O)C)c1ccc(OC)cc1	PC-id_24828884	312.323	JLZQWLFREZOTJO-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-045292
c1(c2ccccc2n(C)n1)C(=O)N1CCn2c(n[nH]c2=O)CC1	MCULE-3518206927,PC-id_91910588	312.327	NIDDQNYUDSZHOH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045293
C1Cc2n[nH]c(=O)n2CCC1NC(=O)c1n[nH]c2ccccc12	PC-id_91922646	312.327	SITYKBHDCKBWCM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045294
c1(cn2c(nccc2)n1)C(=O)N1CCCn2nc(CO)cc2C1	MCULE-9665743691,PC-id_91762333,EMOLS-id_55609384	312.327	LXFMGRVUXGMVRW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045295
c1(C(=O)N2CCCn3nc(CO)cc3C2)nc2c(nccc2)[nH]1	MCULE-7813646909,PC-id_91783461,EMOLS-id_55669841	312.327	LPWICHVLUMWSMG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045296
Cc1ccc2c(n1)cc(o2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102160351	312.327	BZTNZJYNACBCAS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045297
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn2c(c1)n[nH]c2=O	EMOLS-id_319128353	312.327	QQSLBBKGZQMEEK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045298
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn2c(n1)c(=O)[nH]cc2	MCULE-9468890411,EMOLS-id_320042595	312.327	JAVZHXTUMCFRRB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045299
Cc1nc2c(o1)ccc(c2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102177923	312.327	PHUJLMUAYZLTMK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045300
Cc1nc2c(o1)cccc2C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102177926	312.327	HJWMICUCHVXQOS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045301
Cn1c(=O)n2CCN(CCc2n1)C(=O)c1cc2c(cc1)nc[nH]2	PC-id_91922395	312.327	WJPJKUVJPRZAIJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045302
n12CCC(CCc1n[nH]c2=O)NC(=O)c1ccc2c(c1)nc[nH]2	EMOLS-id_50586163,MCULE-7966096384,PC-id_91922651	312.327	BYTWVIFOPLALEN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045303
N#Cc1cc(NCc2nnc3n2CCCCC3)ccc1[N+](=O)[O-]	ZINC22_165133333,PC-id_91648425,EMOLS-id_50349235,MCULE-9186940396	312.327	MTYRWSSXMUAQNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045304
N#CC(c1nnc2n1CCCCC2)C(=O)c1cc2n(n1)CCO2	EMOLS-id_99586724	312.327	WEUXUKUADUCCGO-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-045305
O=C(c1ccc2c(n1)[nH]c(=O)[nH]2)N1CCCc2c(C1)cnn2C	EMOLS-id_101845228	312.327	HPCGHJHBGREDGC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045306
O=C(c1ccco1)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_96188622,PC-id_97463056	312.327	DDIKIZNGDJDASG-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045307
O=C(c1ccco1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_96188623,PC-id_97463057	312.327	DDIKIZNGDJDASG-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045308
O=C(c1ccco1)N1CCc2ncc(Cn3cncn3)n2CC1	EMOLS-id_44328921,PC-id_97467137,ZINC22_96196993	312.327	DRABKHURURKNMF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045309
O=C(c1ccco1)N1CCCn2c(C1)c(nn2)Cn1cncc1	PC-id_97519614	312.327	WXXBEKLXLGXXMI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045310
O=C(c1ccco1)N1CCCn2c(nnc2Cn2cccn2)C1	PC-id_97519747,EMOLS-id_44370876,ZINC22_96259665	312.327	JGWFYTWJCDJMMH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045311
O=C(C1CCn2c(CC1)nnn2)NCc1oc2c(c1)cncc2	EMOLS-id_319664339	312.327	YDCBMJKPOFRWCQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045312
O=C(c1ccnc2c1nc([nH]2)O)N1CCCc2c(C1)cnn2C	EMOLS-id_278918423	312.327	SNBZQLUCBQFLOH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045313
O=C(c1ccno1)N1CCCn2nnc(Cn3cccc3)c2C1	ZINC22_96259515,EMOLS-id_44370580,PC-id_97519598	312.327	GSLOSPUROBXMGE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-045314
O=C(c1ccoc1)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_96067084,PC-id_97389407	312.327	XLODGTMLBJQLAA-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045315
O=C(c1ccoc1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_96067085,PC-id_97389408	312.327	XLODGTMLBJQLAA-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045316
O=C(c1cnc2c(c1)[nH]c(=O)[nH]2)N1CCCc2c(C1)cnn2C	EMOLS-id_101678270	312.327	SSGUJLHDIDITAM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045317
O=C(c1cocc1)N1CCc2n(CC1)c(cn2)Cn1cncn1	PC-id_97467138	312.327	SCSFRYVGXPFHOC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045318
O=C(N1CCCn2c(C1)c(nn2)Cn1cccn1)c1ccco1	PC-id_97519633	312.327	UVMIPPGRIUZDQC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045319
O=C(N1CC(Cn2cncn2)Cn2ccnc2C1)c1ccco1	EMOLS-id_44326465	312.327	DDIKIZNGDJDASG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045320
O=C(N1CC(Cn2cncn2)Cn2ccnc2C1)c1ccoc1	EMOLS-id_46160711	312.327	XLODGTMLBJQLAA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045321
OC(=O)c1cccn2c1nc(c2)CN1CCCn2c(C1)cnn2	EMOLS-id_318950540	312.327	IQVGLSONFALZFW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045322
c12C(CCCCn1nnn2)C(=O)NCc1cccc2ncnn12	EMOLS-id_337804364,MCULE-2947674671	312.33	ZZRROCKXZURPKY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045323
N#CC1(C(=O)N2CCCn3c(nnc3Cn3cnnc3)C2)CC1	PC-id_97405609,EMOLS-id_46182601,ZINC22_96084786	312.33	NCEKNHVZLDFLPN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-045324
O=C(c1cc[nH]n1)N1CCCn2nnc(Cn3cccn3)c2C1	PC-id_97519636,ZINC22_96259554,EMOLS-id_44370656	312.33	ONHMHVRXFBTEJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045325
O=C(c1cnc2c(c1)nn[nH]2)NCc1nnc2n1CCCCC2	EMOLS-id_98952999	312.33	VYWBRXXNGFYHHA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045326
O=C(c1c[nH]cn1)N1CCc2nnc(Cn3cccn3)n2CC1	PC-id_97405800,ZINC22_96084982,EMOLS-id_46182983	312.33	RVPUZUBQFYPZBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045327
O=C(c1c[nH]cn1)N1CCCn2c(nnc2Cn2cccn2)C1	EMOLS-id_44370888,ZINC22_96259672,PC-id_97519754	312.33	OCAODHXOAQHCJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045328
O=C(Nc1ccn2c(c1)ncc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102006990	312.33	YNIIWBFNIMXCOF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045329
O=C(NCc1cccc2ncnn12)[C@@H]1CCCCn2nnnc12	ZINC22_2356153915	312.33	ZZRROCKXZURPKY-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045330
O=C(NCc1cccc2ncnn12)[C@H]1CCCCn2nnnc12	ZINC22_2356153916	312.33	ZZRROCKXZURPKY-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-045331
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(o1)C(F)F	EMOLS-id_319619072	312.335	ASTXKUBFPFSYIC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045332
Cc1nc2c(s1)N(CCCC2)C(=O)c1coc(c1)C(F)F	MCULE-2399825429,EMOLS-id_320032956	312.335	WOADVDJPWAZVRB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045333
CCOC(=O)c1sc(c2c1OCC=CCO2)C(=O)OCC	PC-id_101801825	312.338	FEHISXNIDOJTFD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-045334
Fc1ccc2c(c1)ccn2CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_319680098	312.338	VUCBNGKBODDUEC-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-045335
Cc1cc(F)cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1	ZINC22_76841850	312.341	SKLLHUBAUOOIMW-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045336
Cc1cc(F)cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c1	ZINC22_76841853	312.341	SKLLHUBAUOOIMW-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045337
Fc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1OC	CoCoCo_4037420,PC-id_9030828	312.341	GRYKUUCZNBMKHP-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045338
Fc1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1OC	EMOLS-id_26205041,MCULE-2659727695,PC-id_72068447	312.341	GRYKUUCZNBMKHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045339
N#Cc1ccc(c(c1)CNC(=O)c1cnc2n1CCCCC2)F	EMOLS-id_318501299	312.341	LAKOKCDRKSEQCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045340
N#Cc1ccc(cc1F)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_318656234	312.341	PUZUTTJMKVXZKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045341
N#CC(c1nnc2n1CCCCC2)C(=O)c1cc(C)cc(c1)F	EMOLS-id_73052920,PC-id_121588487,MCULE-7618404254	312.341	SKLLHUBAUOOIMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045342
N#C/C(=C/c1ccc(c(c1)F)OC)/c1nnc2n1CCCCC2	CoCoCo_4037421	312.341	GRYKUUCZNBMKHP-LCYFTJDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-045343
NNc1nc(Sc2nnc3n2CCCCC3)c(cc1F)F	PC-id_108370954	312.342	SCSIMEWAKSCYQV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045344
s1c2CCCC(=O)Nc2c([N+](=O)[O-])c1CCCC(=O)OC	PC-id_23936268	312.342	BUNAPVSPWPBAJV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045345
Nc1cc2-c(c1S(=O)c1ccc(cc1)[N+](=O)[O-])ccccc2	PC-id_101876049	312.343	OOHHWHWCXIGXCD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-045346
Nc1cc2-c(c1S(=O)c1ccccc1[N+](=O)[O-])ccccc2	PC-id_102098658	312.343	OJDQTBVOYSBLJV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-045347
c1ccc2-c(cc1)cc(c2)P(c1ccccc1)c1ccccc1	PC-id_101344329	312.344	NWXUNVCKAFQBBQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-045348
c1ccc(cc1)P(c1ccccc1)c1ccc2-c(cc1)ccc2	PC-id_101344328	312.344	JYTQYRRDNFRBRD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-045349
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(cc1)C#N	PC-id_90625461	312.346	NIDRBHXXOFXCCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045350
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cccc(c1)C#N	PC-id_90625462	312.346	JBFGSZFIEQZNOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045351
CCn1cc(cn1)S(=O)(=O)N1CCc2n[nH]c(=O)n2CC1	PC-id_91910612,EMOLS-id_50586643,MCULE-1148388683	312.348	WKCJZCYNZCLMQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045352
Cn1cnc(c1)S(=O)(=O)N1CCc2nn(C)c(=O)n2CC1	MCULE-6531740529,EMOLS-id_239629102	312.348	OXNSEZJDJNCUQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045353
Fc1cc(F)c(cc1C(c1cc2c(s1)CCCCC2)O)F	PC-id_103303293	312.35	XLSYGOFOJSIXBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045354
OC(c1ccc(c(c1F)F)F)c1cc2c(s1)CCCCC2	PC-id_115797006	312.35	CEKAHPXZQLKPHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045355
s1c2c(CCCCC2)cc1C(O)c1c(F)cc(F)cc1F	PC-id_61087859	312.35	UUWMRYNGCZORBE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045356
O=C(c1noc2c1CCCCC2)NCC1CCC(CC1)(F)F	EMOLS-id_97768802	312.355	QAGWPUIJLOLEPV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045357
Cn1ncc2c1CCCN(C(=O)NC[C@H]1CCCC1(F)F)C2	ZINC22_334132980	312.358	VXCKJTJRDCULDK-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045358
Cn1ncc2c1CCCN(C(=O)NC[C@@H]1CCCC1(F)F)C2	ZINC22_334132981	312.358	VXCKJTJRDCULDK-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045359
CN(C)Cc1cnc2CCN(CCn12)C(=O)C1CC(F)(F)C1	ZINC22_1565542945,EMOLS-id_313780685	312.358	LMECBQGIVBUQSH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-045360
CN(C)Cc1ncn2c1CN(C(=O)C1CC(F)(F)C1)CCC2	ZINC22_2055719463,EMOLS-id_313736656	312.358	JZMCIHSURGJYKL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-045361
FC1(F)CCN(CC1)C(=O)CCc1nn2c(CNCCC2)c1	MCULE-8370607795,PC-id_70782203,EMOLS-id_43175431	312.358	ZKLJTWKPAVIQDU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045362
O=C(C1CCn2c(CC1)nnc2)NCC1CCC(CC1)(F)F	MCULE-9270972099,EMOLS-id_319822826	312.358	YDWBZOJCRYDHCY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045363
O=C(N1CCCc2c(C1)cnn2C)NCC1CCCC1(F)F	EMOLS-id_101700467,MCULE-7075857584	312.358	VXCKJTJRDCULDK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045364
O=C(N1CCCc2c(C1)cnn2C)NCC1CCC(C1)(F)F	EMOLS-id_101708051	312.358	MBBPEVNBDVWIDW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045365
O=C(N1CCCc2c(C1)cnn2C)NCCC1CC(C1)(F)F	EMOLS-id_101712764	312.358	INEWOMUTOBSCMH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-045366
OC(=O)/C=C(/c1cc(c2-c1c(C)ccc(c2)C(C)C)C)C(=O)O	PC-id_110174505	312.36	ZWDIVRSTWNADIV-SXGWCWSVSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045367
OC(c1cc2-c(c1)ccccc2)C(=O)c1cc2-c(c1)ccccc2	PC-id_11066938	312.361	GDHOSKBMTRULLM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045368
CC1Oc2c(C1NC(=O)c1noc3c1CCCCC3)cccc2	EMOLS-id_99376222	312.363	SAAQNEZQVSFBQD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045369
C=CCOC(=O)C1CCCCn2c1ccc2C(=O)c1[nH]ccc1	SCHEMBL11247451,PC-id_70546158	312.363	LKKOPVWRWRCHAV-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-045370
CCC(=O)Nc1cccc(c1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_318649058	312.363	CDEWCKLESIACCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045371
CCOc1ccc(cc1)N(c1c[nH]c2c1C(=O)CCCC2)C=O	SCHEMBL7401579,PC-id_88137857	312.363	CXSQCLZTVXADKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045372
CCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_57247908,SCHEMBL7363009	312.363	OFPARKKFNMCLNK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045373
CCOC(=O)c1cc(c2n1CCCCN2)C(=O)c1ccccc1	PC-id_102368527	312.363	CMWUOLPIWGMELD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045374
CC(=O)Nc1ccc(cc1)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318434977	312.363	VHOSQSRBYBEYBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045375
CC(=O)Nc1ccccc1CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318742269	312.363	LEPVSZWVLJMNTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045376
CC(=O)Nc1cccc(c1)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318758228	312.363	PIELHCHBHCRKDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045377
CC(=O)NCc1ccc(cc1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_318451935	312.363	MTTPCYMFLKFYLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045378
COc1ccc2c(c1)CCN2C(=O)c1noc2c1CCCCC2	EMOLS-id_111406303	312.363	VCBALSHOCZSVPO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045379
o1n(c2CCCCCc2c1=O)C(=O)NC1CCc2c1cccc2	PC-id_72272732	312.363	LXFGBGAMTIMQCV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045380
o1n(c2CCCCCc2c1=O)C(=O)N[C@@H]1CCc2c1cccc2	PC-id_59370613,SCHEMBL13303480	312.363	LXFGBGAMTIMQCV-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045381
o1n(c2CCCCCc2c1=O)C(=O)N[C@H]1CCc2c1cccc2	SCHEMBL13303478,PC-id_59370562	312.363	LXFGBGAMTIMQCV-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045382
OC1Cc2c(C1NC(=O)c1noc3c1CCCCC3)cccc2	EMOLS-id_303320292	312.363	BAASOBRZKLRADU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045383
OCC1CN(c2c1cccc2)C(=O)c1noc2c1CCCCC2	EMOLS-id_110922652	312.363	BAVBMSOWIFJPTF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045384
O=C(c1noc2c1CCCCC2)N1CCC=C(C1)c1ccco1	EMOLS-id_110740194	312.363	VEUMCCIXJVSRGM-UHFFFAOYSA-N	00000000101011000101100000000010000000000000000000000000	31-01-045385
O=C(c1noc2c1CCCCC2)NC1CCc2c1cccc2O	EMOLS-id_111930310	312.363	WGWVRRYWAYHOGA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045386
O[C@@H]1Cc2c([C@@H]1NC(=O)c1noc3c1CCCCC3)cccc2	EMOLS-id_101053282	312.363	BAASOBRZKLRADU-ZBFHGGJFSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045387
O=C(N1CCCc2c(C1)cco2)NCC1Cc2c(O1)cccc2	EMOLS-id_99656926	312.363	YZISBHHSTTVNMT-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-045388
COCCOCCNC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_86985394	312.365	WHQOOKCWPVZRIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045389
C1CC1C(=O)N1CCc2nn(c(=O)n2CC1)Cc1ccccc1	PC-id_91922491	312.366	KSOKHBMYFUVIKQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-045390
c1(C(=O)N2CC(C2)Oc2ccccc2)nnc2CCCCCn12	MCULE-7741785971,PC-id_77089140,EMOLS-id_49884871,ZINC22_215809938	312.366	INHLUNRXWZVVJT-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-045391
c1(C(=O)Nc2ccc(cc2)NC(=O)C)c2CCCCCc2n[nH]1	EMOLS-id_50402446,MCULE-7187899990,PC-id_75356709,EMOLS-id_49249712,STOCK7S-47659,ZINC22_96232467	312.366	RWQLZSAOKOQFSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045392
Cc1ccc(NC(=O)Cn2cc3c(n2)CCCNC3=O)c(C)c1	MCULE-4198516980,ZINC22_634552125,PC-id_139021797,EMOLS-id_320340085	312.366	ROBACVJXYVFRJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045393
Cc1ccc(NC(=O)C(=O)N2CCCn3cncc3C2)c(C)c1	PC-id_56886308,MCULE-5793524676,ZINC22_72131029,EMOLS-id_43074461	312.366	KXSHDFQDHYVBBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045394
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)NC(=O)C	EMOLS-id_318944455	312.366	XUNDEVSUPMHYMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045395
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1O)C1CC1	EMOLS-id_319130036	312.366	JZFFBKVOHIUGLI-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-045396
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccn(c1=O)C1CC1	MCULE-9715326889,EMOLS-id_320181561	312.366	KJFQGTXVNCFPMO-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-045397
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(=O)[nH]c(c1)C1CC1	MCULE-3985830489,EMOLS-id_320049213	312.366	NZJXWRZJHKPOJN-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-045398
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1)C(=O)N	EMOLS-id_320301081,MCULE-8214033194	312.366	WHFLDTQFBZWHLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045399
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CNC(=O)c1ccccc1	MCULE-9696614849,EMOLS-id_320120832	312.366	JRHNTLKURWZWDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045400
Cc1nnc2CCN(CCn12)C(=O)CCC(=O)c1ccccc1	EMOLS-id_232701951,MCULE-1516035090,ZINC22_19112593,PC-id_28071136	312.366	SWRMVIHTBNGATK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045401
CCc1ccccc1NC(=O)Cn1cc2c(n1)CCCNC2=O	ZINC22_585123065,MCULE-4634061491,EMOLS-id_177340642	312.366	SUHMVOXBGSNIIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045402
CCCc1occc1C(=O)C(c1nnc2n1CCCCC2)C#N	PC-id_121568842,MCULE-3720005460,EMOLS-id_76030250	312.366	XZSONINBLYTNHC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045403
CCCc1occc1C(=O)[C@@H](C#N)c1nnc2n1CCCCC2	ZINC22_253432275	312.366	XZSONINBLYTNHC-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045404
CCCc1occc1C(=O)[C@H](C#N)c1nnc2n1CCCCC2	ZINC22_253432276	312.366	XZSONINBLYTNHC-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045405
OCC1=CCC=Cc2n1c(nn2)C(COCc1ccccc1)N	PC-id_142870057	312.366	WJAWUJXPQVGOEP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-045427
CCN1CC(=O)N(CC)c2ncn(Cc3ccccc3)c2C1=O	CHEMBL327337,BindingDB_PC-id_14199033,PC-id_14199033	312.366	YONHVKOVNJKLMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045406
CC(=O)N1Cc2cccn2C[C@H](C(=O)NCc2cccnc2)C1	ZINC22_247947852	312.366	PJQAMPGVLTTXNX-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045407
CC(=O)N1Cc2cccn2C[C@@H](C(=O)NCc2cccnc2)C1	ZINC22_247947853	312.366	PJQAMPGVLTTXNX-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045408
CC(=O)N1CC(Cn2cccc2C1)C(=O)NCc1cccnc1	EMOLS-id_50018788	312.366	PJQAMPGVLTTXNX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045409
CC(=O)Nc1ccc(cc1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101668220	312.366	YCPZVVSNHJLATC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045410
CC(=O)Nc1cccc(c1)NC(=O)c1n[nH]c2c1CCCCC2	PC-id_91640585,STOCK7S-50486,EMOLS-id_54879009,MCULE-9194408901,EMOLS-id_50231845,ZINC22_189753797	312.366	XINCYFADCSOTCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045411
CNC(=O)c1cccc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101673029	312.366	VNBBVBMYIBGENP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045412
CNC(=O)c1cccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-2131035175,EMOLS-id_320206972	312.366	HJBJPBWTTKNSPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045413
CNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C	EMOLS-id_32633190,PC-id_53034584	312.366	ZSIURDXRXUEJKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045414
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1ccccn1	EMOLS-id_313811233	312.366	YKVZHKWRDMJDRK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045415
CNC(=O)C[C@H]1CN(C(=O)c2ccccn2)Cc2cccn2C1	ZINC22_585099243	312.366	YKVZHKWRDMJDRK-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045416
CNC(=O)C[C@@H]1CN(C(=O)c2ccccn2)Cc2cccn2C1	ZINC22_585099244	312.366	YKVZHKWRDMJDRK-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045417
n1(CC(=O)N2CCc3ccccc23)nc2n(CCCCC2)c1=O	PC-id_37919481,MCULE-8071784397,EMOLS-id_48461789,ZINC22_30775420,SPECS-id_AT-687/NB01976	312.366	QEIFLXBEJNPYIE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045418
O1C(Cc2c1cccc2)C(=O)NCc1n2CCCCCc2nn1	EMOLS-id_36261885,MCULE-3438219651,PC-id_53530034	312.366	ZPQJNHDGRMVAHS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045419
O=C1Nc2c(n(nc2CCC)C)C(=O)NC1Cc1ccccc1	PC-id_21860890	312.366	YRARLAOJIOYIJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045420
O=C1Nc2c(n(nc2CCC)C)C(=O)N[C@H]1Cc1ccccc1	PC-id_11278382	312.366	YRARLAOJIOYIJC-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045421
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O=C1Nc2c(NC[C@@H]1N(C(=O)OC(C)(C)C)C)snc2C	PC-id_145339605	312.388	XMXQKQLYUFMSQE-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045510
O=C(NC(c1nnc2n1CCCCC2)C)CSCC(=O)O	PC-id_104569461	312.388	PFSTXVMSSCXPMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045511
S(c1n2CCCCCc2nn1)CC(NC(=O)C)C(=O)OC	PC-id_65442017	312.388	ISIPZSDYOVJDMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045512
c12C(=O)NCCCc1[nH]c(CCc1sc3c(cccc3)n1)n2	MCULE-8531614780,EMOLS-id_32437664,PC-id_50985023,ZINC22_65533730	312.389	NZDSNURRAYHVCD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045513
c1(C(=O)Nc2sc3c(cccc3)n2)c2CCCCCc2[nH]n1	MCULE-7012669137,EMOLS-id_323251383	312.389	AOWQEMNULNOCOL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045514
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c(s1)nccc2	EMOLS-id_319733047	312.389	WEHKSDKLWXZKRT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045515
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)ncs2	EMOLS-id_319197216	312.389	HSBQKDZGGLJGOV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045516
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)scn2	EMOLS-id_318911876	312.389	ZGEXJMRRHHMPOS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045517
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2c1ncs2	EMOLS-id_319430597	312.389	RTMIWZRYVPVQIR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045518
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc2c(c1)scc2	EMOLS-id_319026127	312.389	ISKPMNJKTKBRKN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045519
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncc2c1ccs2	EMOLS-id_319471835	312.389	BJYNJZDIXMNZMV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045520
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nsc2c1cccc2	EMOLS-id_319617637	312.389	GWQIGLZOTADRDB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045521
Cc1cnc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1	PC-id_75401710,ZINC22_72495558,EMOLS-id_48205592,MCULE-9880386853	312.389	HGIHXROXFFSNIJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-045522
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc2c([nH]1)ccnc2	EMOLS-id_319726096	312.389	GVMGNMPIQZBSRT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045523
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc2c([nH]1)nccc2	EMOLS-id_318879654	312.389	CILXIVHATBODOA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045524
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)cn[nH]2	EMOLS-id_318891044	312.389	AGGFOGIAKOPZLP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045525
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc2n1ncc2	MCULE-1382708323,EMOLS-id_320169204	312.389	XQCJWMAXGDRBJK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045526
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccn2c(c1)cnc2	EMOLS-id_319862236,MCULE-8855463750	312.389	ZFJPYZXOSPKPEW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045527
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc2c(c1)[nH]cc2	EMOLS-id_320009801,MCULE-3641233742	312.389	IVZNNJWEOBBEDN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045528
Cc1nc2c(s1)N(CCCC2)C(=O)c1c[nH]c2c1nccc2	MCULE-1550702114,EMOLS-id_320130812	312.389	VOGPSOWVJMIGCR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045529
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnn2c1cccc2	EMOLS-id_320217354,MCULE-9051343338	312.389	FEGZRKUXQDNRHY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045530
Cc1nc2c(s1)N(CCCC2)C(=O)c1ncc2n1cccc2	EMOLS-id_320297611,MCULE-7019079213	312.389	UWKLBFXRVAQPHA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045531
Cc1nc2c(s1)N(CCCC2)C(=O)c1nccc2c1cc[nH]2	EMOLS-id_319426331	312.389	KGLHYXPRKLDBKN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045532
Cc1nc2c(s1)N(CCCC2)C(=O)c1ncn2c(c1)ccc2	EMOLS-id_318774513	312.389	AJQOZUUXUYXJES-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045533
Nc1nc2c(s1)CCN(CC2)C(=O)c1cc2c([nH]1)cccc2	PC-id_142576473	312.389	FSANCTMUTZYUDD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-045534
N#Cc1ccc(nc1C)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319310659	312.389	NNYIEJPTYLSXDT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045535
N#Cc1ccc(nc1)NCC(=O)N1CCCCc2c1ccs2	EMOLS-id_318591068	312.389	PLIIVUXHEYKHAM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-045536
N#Cc1cnc(c(c1)C)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319314280	312.389	WHQGYMSUTMGFCN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045537
N#Cc1c(NC(=O)c2cnccn2)sc2c1CCCCCC2	MCULE-5662087110,PC-id_2259572,EMOLS-id_233031264,SCHEMBL15281367,GD-id_ZINC02922453,ZINC22_2922453	312.389	VABJTLADVLMWHE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-045538
O=C(c1c2c(cccc2)[nH]n1)Nc1sc2c(CCCCC2)n1	CoCoCo_4564236,ZINC22_12507540,CoCoCo_4564235,EMOLS-id_16658735,MCULE-2236942741,PC-id_17493277	312.389	LQJOZTWCBBQBRU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045539
O=C(c1cc2c(s1)CCCCC2)Nc1ccc2n(c1)cnn2	EMOLS-id_98676030	312.389	NWBXJQAUVWCALS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045540
O=C(c1cc2c(s1)CCCCC2)Nc1cccn2c1ncn2	EMOLS-id_319621130	312.389	ZQUZKGYTDDYVPE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045541
O=C(c1ccc2c(c1)scn2)N1CCCc2c(C1)cnn2C	EMOLS-id_101668214	312.389	RZEMINZWCBUWRK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045542
O=C(c1ccc2c(n1)[nH]cc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_99071330	312.389	ROEYYVISWOCLJZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045543
O=C(c1cccc2c1[nH]nc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_98320485	312.389	QFBIYMLDSDLNPY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045544
O=C(c1cn2c(n1)cccc2)Nc1nc2c(s1)CCCCC2	PC-id_94580237	312.389	SNCGGWUHADMVKC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045545
O=C(c1c[nH]c2c1nccc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_99911028	312.389	VCFDUCWBWUHOPA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045546
O=C(N1CCCc2c(C1)ccs2)Cn1ncc2c1nccc2	EMOLS-id_319142773	312.389	NOXYALUIEGKMCT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045547
O=C(Nc1nc2c(s1)CCCCC2)c1ccc2[nH]cnc2c1	CoCoCo_4546072,PC-id_17461491,CoCoCo_4546073,ZINC22_12540562,MCULE-9826431795,EMOLS-id_13511842	312.389	YXJQGSSIAVGZOY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045548
O/C(=Nc1nnc2ccccn12)/c1cc2c(s1)CCCCC2	PC-id_39030996,ZINC22_31804987,EMOLS-id_33346409,MCULE-9412320209	312.389	CGGGZIRXAIESCM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045549
N#CCN(S(=O)(=O)N(C)C)Cc1nnc2n1CCCCC2	EMOLS-id_111106289	312.391	GGLVVOQPTYMUNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045550
FC1(F)CCCCCC1NCCc1nnc2n1CCCCC2	MCULE-3063556402,EMOLS-id_320043498	312.401	ZWJKOZAAAQTNBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045551
Cc1c2C[C@@H](CC[C+](C=C[C@H](c(c1)o2)C(=C)C)C(=O)[O-])C(=C)C	PC-id_135428107	312.403	QDDMAQASXIBMIQ-SJORKVTESA-N	00000000100000000110000000000010000000000000000000000000	31-01-045552
Cc1c2C[C@H](CC[C+](C=C[C@@H](c(c1)o2)C(=C)C)C(=O)[O-])C(=C)C	PC-id_135463263	312.403	QDDMAQASXIBMIQ-DLBZAZTESA-N	00000000100000000110000000000010000000000000000000000000	31-01-045553
CCOC(=O)C(=O)c1ccc2-c1c(C)cc(cc2C)C(C)(C)C	SPECS-id_AS-970/QB07934	312.403	JIJYHMPTVFISKF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045554
o1c2CC(CCC(=C=CC(c1cc2C)C(=C)C)C(=O)O)C(=C)C	PC-id_73073850	312.403	KRTFIRPMMYELSA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-045555
o1c2CC(CCC(=CC=CC(=Cc1cc2C)C)C(=O)O)C(=C)C	PC-id_73208492	312.403	GNPJUVDENSEFCH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-045556
o1c2C[C@H](CCC(=CC=CC(=Cc1cc2C)C)C(=O)O)C(=C)C	PC-id_10591217	312.403	GNPJUVDENSEFCH-KRWDZBQOSA-N	00000000100000000110000000000010000000000000000000000000	31-01-045557
o1c2C[C@H](CC/C(=C/C=C/C(=Cc1cc2C)C)/C(=O)O)C(=C)C	PC-id_15968753	312.403	GNPJUVDENSEFCH-DDFFAEFESA-N	00000000100000000110000000000010000000000000000000000000	31-01-045558
o1c2C[C@H](CCC(=C=C[C@@H](c1cc2C)C(=C)C)C(=O)O)C(=C)C	PC-id_10543140	312.403	KRTFIRPMMYELSA-ZWHDVJAZSA-N	00000000100000000110000000000010000000000000000000000000	31-01-045559
o1c2C[C@@H](CCC(=C=C[C@H](c1cc2C)C(=C)C)C(=O)O)C(=C)C	PC-id_11723048	312.403	KRTFIRPMMYELSA-GCYYLWDLSA-N	00000000100000000110000000000010000000000000000000000000	31-01-045560
O=C(c1c2-c(c(c1)C)cc(C(C)C)ccc2C)CCCC(=O)O	PC-id_72712759	312.403	DNJBZFVZQYLVFJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045561
OCCc1c2-c(c(c1)C=CC(=O)OCC)cc(C(C)C)ccc2	PC-id_54401655,SCHEMBL9627906	312.403	VNVQVOOHGRKKER-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045562
O=C1C2C(=C(Cc3c4-c(c(c3)C)ccccc4)C=C2C)C=CC=C1	PC-id_13924932	312.404	CRJMQBSROCDYQV-UHFFFAOYSA-N	00000011100000000110000000000110000000000000000000000000	31-01-045563
O(c1cc2c(CC(=C2/C=C/c2c3-c(cc2)ccccc3)C)cc1)C	PC-id_11151109	312.404	UNAJKZCDZTVIHJ-ACCUITESSA-N	00000011100000100110000000001010000000000000000000000000	31-01-045564
O(c1cc2c(CC(=C2C=Cc2c3-c(cc2)ccccc3)C)cc1)C	PC-id_71376497	312.404	UNAJKZCDZTVIHJ-UHFFFAOYSA-N	00000011100000100110000000001010000000000000000000000000	31-01-045565
c1(c2CCCCCc2on1)C(=O)N(CC)c1ccccc1CC	EMOLS-id_16234853,CoCoCo_2401432,PC-id_20923876,MCULE-2810443607	312.406	VODVDFSRWAZXCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045566
c1(C(=O)NC(C)CCc2ccccc2)c2CCCCCc2on1	PC-id_42654657,EMOLS-id_27451186,STOCK6S-80369,MCULE-1289189123	312.406	GPIAOYVBIWMGMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045567
CC(c1ccc(c2-c(c1)c(C=NC(C)(C)C)cc2[N+](=O)[O-])C)C	SCHEMBL6534644	312.406	RNSVNVVRQBCQAA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045568
C[C@@H](CCc1ccccc1)NC(=O)c1noc2c1CCCCC2	PC-id_39338371,ZINC22_32093584	312.406	GPIAOYVBIWMGMG-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045569
C[C@H](CCc1ccccc1)NC(=O)c1noc2c1CCCCC2	ZINC22_32093585,PC-id_39338372	312.406	GPIAOYVBIWMGMG-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045570
CCn1c(CCOCc2ccccc2)nc2c1CCCCC2=O	PC-id_121457926,SCHEMBL17895748	312.406	TWWMRIWKBBPCSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045571
CCOC(=O)c1cc2c(n1C)CCN(CC2)Cc1ccccc1	PC-id_20481337,SCHEMBL11181755	312.406	MYXOKZJPOCCLKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045572
Cn1c2c(CCCCCC2)c(n1)CC(=O)OCc1ccccc1	SCHEMBL20430652,PC-id_135267547	312.406	HQFQNLCCHJOURR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045573
COCCC1CN(Cc2cccn2C1)C(=O)c1cccc(C)c1	EMOLS-id_313837353	312.406	PTNUWSHWGOXTFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045574
COCC[C@H]1CN(C(=O)c2cccc(C)c2)Cc2cccn2C1	ZINC22_585095401	312.406	PTNUWSHWGOXTFR-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045576
[O-][N+](=O)c1c2-c(c(c1)/C=N/C(C)(C)C)cc(C(C)C)ccc2C	PC-id_69816819	312.406	RNSVNVVRQBCQAA-RGVLZGJSSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045577
Cc1ccc(o1)S(=O)(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110734014	312.408	OWIWNKNHZIHUNG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-045578
CCc1ncc(s1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99300571	312.408	YSEPWQGBPWCVNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045579
c12cncn1CCCN(C(=O)CCCNCc1ccccc1)C2	EMOLS-id_43122837,PC-id_56898092,MCULE-3002564215,ZINC22_72158733	312.409	OBPCKMATNQRKFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045580
c12C(=O)NCC(C)(C)Cc1[nH]c(CCN(C)c1ccccc1)n2	EMOLS-id_32416986,PC-id_50973954,ZINC22_65457248,MCULE-3976742305	312.409	CAGMVISPZGCUMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045581
C1CC(C1)C(c1nn2CCCN(Cc2c1)Cc1cnccc1)O	PC-id_91766320	312.409	ZPSARIGMFHUVDW-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-045582
c1ccc(cc1)C1COCC1NCc1nnc2n1CCCCC2	MCULE-2956014772,EMOLS-id_318663947	312.409	NDOJMSWRLNQPKK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-045583
c1ccc(cc1)[C@@H]1OCC[C@H]1NCc1nnc2n1CCCCC2	MCULE-6292700830,EMOLS-id_320314643	312.409	WDTLKZJXWDRCIM-QAPCUYQASA-N	00000010100000110101100000000010000000000000000000000000	31-01-045584
c1ccc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)nc1	PC-id_97463517,ZINC22_96189102	312.409	KXIORFNYGHXJMT-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-045585
c1ccc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)nc1	ZINC22_96189103,PC-id_97463518	312.409	KXIORFNYGHXJMT-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-045586
c1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)nc1	EMOLS-id_46148337,ZINC22_96059023,PC-id_97381676	312.409	JCRRFERKOKWFRQ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-045587
c1cc(CN2CCCn3cnc(COCC4CC4)c3C2)ccn1	EMOLS-id_46148339,PC-id_97381677,CHEMBL3551352,ZINC22_96059024	312.409	LTVRXOVRFPHJDX-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-045588
C1CCn2c(CC1)nnc2Cc1ccc(cc1)NC1CCOC1	EMOLS-id_318052393,MCULE-5631594405	312.409	JCXUYGIXLQXKAQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-045589
C1CCn2c(CC1)nnc2CCNCc1ccc2c(c1)CCO2	MCULE-3564177011,PC-id_71933798,EMOLS-id_45646267	312.409	NHZRALQBJDLVMT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045590
C1CCn2c(CC1)nnc2CNc1ccc(cc1)C1CCOC1	MCULE-9752602395,EMOLS-id_318085115	312.409	ZOXYDRKZGWNXCV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-045591
C1CCn2c(CC1)nnc2CNc1ccccc1OCC1CC1	EMOLS-id_318118228	312.409	QGBCNBLSHJUJAH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-045592
c1(CN(C)CC(=O)Nc2ccccc2)c2CCCCCc2[nH]n1	MCULE-2015390410,EMOLS-id_55661101,ZINC22_252481661,PC-id_91836925	312.409	CQBYUDZXTUBROQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045593
c1(CN(C)C(=O)NCc2ccccc2)c2CCCCCc2[nH]n1	MCULE-8530961121,EMOLS-id_82738671,PC-id_119073065,ZINC22_426678105	312.409	MJIWTXIWCXZCMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045594
CC1Cc2c(O1)ccc(c2)CNCc1nnc2n1CCCCC2	EMOLS-id_318690433,MCULE-6892431332	312.409	RVMISRRFCRAJDW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045595
Cc1ccc(c(c1)C)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101729535	312.409	GQMCWAGQPNZNDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045596
Cc1cccc(c1)CCNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318021785	312.409	BUXVFGHHTVCEFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045597
Cc1ccc(cc1)CCNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318048428	312.409	DFJSYXKFNXFLIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045598
Cc1ccccc1CC(=O)N[C@H](C)c1nnc2n1CCCCC2	ZINC22_29898596	312.409	LHUPXBKXCUHOFL-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045599
Cc1ccccc1CC(=O)N[C@@H](C)c1nnc2n1CCCCC2	ZINC22_29898603	312.409	LHUPXBKXCUHOFL-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045600
Cc1cccc(c1)C(NC(=O)C1CCn2c(CC1)nnc2)(C)C	EMOLS-id_319493101	312.409	ABVJZPMYLRQJOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045601
Cc1ccc(cc1)C(NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101730774	312.409	PQHDFTWTADGGHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045602
Cc1cc(C)c(c(c1)C)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_318546932	312.409	KJHRCYFUIJVTQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045603
Cc1cc(C)cc(c1)C(NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316636258	312.409	ZZTPJCZXNPHXKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045604
Cc1cc(C)c(c(c1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101956586	312.409	NVOUAXYCBAWHGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045605
Cc1ccc(CCC(=O)NCc2nnc3n2CCCCC3)cc1	EMOLS-id_30687726,PC-id_47019786,MCULE-7993565819,ZINC22_48291090	312.409	MYINYCKUEYPASY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045606
Cc1cc(C)cc(C(=O)NCCc2nnc3n2CCCCC3)c1	PC-id_51307450,EMOLS-id_50299783,MCULE-3236154113,ZINC22_54535872	312.409	XMIOPENKGXAMRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045607
Cc1ccc(CC(=O)NCCc2nnc3n2CCCCC3)cc1	PC-id_47017167,MCULE-4783118372,EMOLS-id_30696596,ZINC22_48303632	312.409	IAFSSPYUNKKJOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045608
Cc1ccc(c(n1)C(C)C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845189	312.409	FHZUDSKOHLHMGC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045609
Cc1ccc(cn1)C(NC(=O)c1cnc2n1CCCCC2)(C)C	EMOLS-id_318640892	312.409	RCPZOIKCLLKFKO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045610
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)N(c1ccccc1)C)C	EMOLS-id_318922078	312.409	TWKWRCJTUALZPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045611
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1cccc(c1)C)C	EMOLS-id_319879379,MCULE-9774545026	312.409	QJFWQEPOZQNFAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045612
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1C(C)C)C	EMOLS-id_318790593	312.409	ZJGZHVLZNBFDGE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045613
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(n(c1C)C1CC1)C	EMOLS-id_319596026	312.409	NBAKPYKKIGGVGP-UHFFFAOYSA-N	00100000110000000101100000000010000000000000000000000000	31-01-045614
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1ccccc1)N(C)C	EMOLS-id_319341719	312.409	DPMUUDMKFUGUMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045615
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCNc1ccccc1C	EMOLS-id_318869150	312.409	NMYRXXIBAJAFAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045616
Cc1cnccc1CCCNC(=O)c1cnc2n1CCCCC2	EMOLS-id_319859721	312.409	LVZUGIPKYRMHHV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045617
CC1CN(CC(=O)Nc2cccc(c2C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319013815	312.409	HLLGCLQNSPBLAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045618
CC1CN(CC(=O)Nc2ccc(c(c2)C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319031013	312.409	OCNGPQBKAUBLEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045619
CC1CN(CC(=O)Nc2ccc(cc2C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319133840	312.409	ZFQICPFXIRPKBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045620
CC1CN(CC(=O)Nc2cc(C)ccc2C)Cc2c(C1)[nH]nc2	EMOLS-id_318820828	312.409	PDCAVZCJWTZTQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045621
CC1CN(CC(=O)Nc2cc(C)cc(c2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319989593,MCULE-4868459583	312.409	XGKPXOSNQUWPGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045622
CC1CN(CC(=O)NCc2cccc(c2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319636003	312.409	UVFWSLJHCBKHJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045623
CC1CN(CC(=O)NCCc2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_318800746	312.409	ZPMGMVQCMCSYHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045624
CC1(C)Oc2c(C1)cccc2NCc1nnc2n1CCCCC2	EMOLS-id_318310957,MCULE-2210694286	312.409	GMAJCNXGUYSZES-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045625
Cc1nnc2n1CCN(C(=O)c1ccc(CC(C)C)cc1)CC2	ZINC22_23145409,PC-id_30869110,CoCoCo_1149645,EMOLS-id_24851835,MCULE-8753129843	312.409	PVZRGYSSNRLUHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045626
CC(c1ccc2c(c1)CCO2)NCc1nnc2n1CCCCC2	EMOLS-id_318634020,MCULE-7088134354	312.409	YMVWQACZGOMPHN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045627
CC(c1ccc2c(c1)COC2)NCc1nnc2n1CCCCC2	EMOLS-id_317923776,MCULE-3455168758	312.409	YZZZSAQASQRWHI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045628
CC(c1ccccc1)C(NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319399332	312.409	XQLRMEHUQHUVCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045629
CCc1ccc(cc1C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101955360	312.409	HTQIBFMQILFYDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045630
CCc1ccccc1CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318217223	312.409	GJHCQLVKXKUACR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045631
CCc1ccc(cc1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318684573	312.409	BBVPXZPTRCMCOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045632
CC(c1cccc(c1)N(C(=O)C1CCn2c(CC1)nnc2)C)C	EMOLS-id_316486025	312.409	VVMNYXCRHXSELU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045633
CC(c1ccc(cc1)N(C(=O)C1CCn2c(CC1)nnc2)C)C	EMOLS-id_316762889	312.409	ICWWXUAAIVIBJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045634
CCc1ccccc1NC(=O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319313130	312.409	AUEOIMWPZWLZSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045635
CCc1cccc(c1NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101956598	312.409	JQZRFEPIZHRIDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045636
CC(c1nnc2n1CCCCC2)NCc1ccc2c(c1)CCO2	MCULE-9834988479,PC-id_53507713	312.409	FWPCNJPTWNIJNK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045637
CCCc1ccccc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318031170	312.409	GPQSEOMSUQDSHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045638
CCCc1ccc(cc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318535389	312.409	CKCRJZJKGSKVKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045639
CC(C)c1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1	MCULE-7514745913,ZINC22_240626759,PC-id_119041004,EMOLS-id_75969686	312.409	HJAWUQQWCGNKQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045640
CC(CC1N(CCCn2c1ncc2)C(=O)Cc1ccncc1)C	MCULE-8318028838,EMOLS-id_97038856	312.409	RCTRFQPNIJFJLN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045641
CCCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)c1ccccn1	EMOLS-id_319900273,MCULE-6889829179	312.409	DPBBVYZAYWGDCE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045642
CCCCN(C(=O)C1CCn2c(CC1)nnc2)c1ccccc1	EMOLS-id_316532351	312.409	LEMPOMODKZWNGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045643
CCC(C(=O)N1CCCc2c(C1)cnn2C)Nc1ccccc1	EMOLS-id_318599455,MCULE-5977322769	312.409	HRTYWIUAOUCPIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045644
CC[C@@H](c1ccccc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318171742	312.409	FPQHMRYIELDLOI-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045645
CC[C@H](c1ccccc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318368322	312.409	FPQHMRYIELDLOI-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045646
CC(C)N1Cc2cccn2C[C@H](C(=O)NCc2cccnc2)C1	ZINC22_247963213	312.409	AKRUPZASCPEEJA-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045647
CC(C)N1Cc2cccn2C[C@@H](C(=O)NCc2cccnc2)C1	ZINC22_247963215	312.409	AKRUPZASCPEEJA-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045648
CC(C)N1CCCn2c(C1)ccc2C(=O)NCc1cccnc1	EMOLS-id_317415775,MCULE-9086214388	312.409	XYCFRJADCSLEFZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045649
CC(C)N1CC(Cn2cccc2C1)C(=O)NCc1cccnc1	EMOLS-id_50018806	312.409	AKRUPZASCPEEJA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045650
CCCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1	EMOLS-id_319350245	312.409	SQOXFDDKSFVWRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045651
C[C@H](NCc1ccc2c(c1)CCO2)c1nnc2n1CCCCC2	PC-id_93951134,ZINC22_43288599	312.409	FWPCNJPTWNIJNK-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045652
C[C@@H](NCc1ccc2c(c1)CCO2)c1nnc2n1CCCCC2	PC-id_93951135,ZINC22_43288601	312.409	FWPCNJPTWNIJNK-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045653
C[C@H](N(C(=O)c1[nH]nc2c1CCCCC2)C)Cc1ccccn1	CoCoCo_441499,CoCoCo_441497	312.409	UJCQUDYKSTZUSY-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045654
C[C@@H](N(C(=O)c1[nH]nc2c1CCCCC2)C)Cc1ccccn1	CoCoCo_441500,CoCoCo_441498	312.409	UJCQUDYKSTZUSY-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045655
CCN(c1ccccc1)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320219049,MCULE-6961489934	312.409	MAYJKAIOBCJXKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045656
CCN(c1ccccc1)C(=O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318935697	312.409	WVVBIBFWPJLTHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045657
CCNc1ccc(cc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319376253	312.409	FRRHXFZDGBFIAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045658
CCN(C(=O)C1CCn2c(CC1)nnc2)c1cc(C)cc(c1)C	EMOLS-id_278112666	312.409	LPIYGXLFLDCYSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045659
CC(NC(=O)C1CCn2c(CC1)nnc2)CCc1ccccc1	EMOLS-id_319472733	312.409	CUEUSWJPNQAPQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045660
CN(C1CCc2nnc(C)n2CC1)C(=O)CCc1ccccc1	MCULE-4760773874,EMOLS-id_50590440,PC-id_91922632	312.409	ALPVMXBCEHSTFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045661
CN(Cc1ccc2OCCc2c1)C1CCc2nnc(C)n2CC1	EMOLS-id_168607871,MCULE-5587695848	312.409	BTZPBXHATAHZRB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045662
CN(Cc1cccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319237305	312.409	IXGGMRLSRIOGEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045663
CN(CC1CN(Cc2n(C1)ccn2)C(=O)Cc1ccccc1)C	PC-id_118743635	312.409	NGNHINKYNHXWMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045664
CNCCc1ccccc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318053466,MCULE-3738873793	312.409	CXGSWBWPVRIZIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045665
CN(C(C(=O)N1CCCc2c(C1)cnn2C)c1ccccc1)C	EMOLS-id_318096378	312.409	GODURKIPMMAWIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045666
CN(C(=O)C1CCn2c(CC1)nnc2)CCc1ccccc1C	EMOLS-id_320233623,MCULE-1721937188	312.409	YQGOBGXOZOVKER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045667
COC1Cc2c(C1)ccc(c2)NCc1nnc2n1CCCCC2	EMOLS-id_318779676,MCULE-3142908357	312.409	JGVCCTQSVGWZOT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045668
COc1ccc2c(c1)CCC2NCc1nnc2n1CCCCC2	EMOLS-id_318008508,MCULE-7532325088	312.409	KGRWNKOXMQILSI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045669
COc1ccc2c(c1)C(CC2)NCc1nnc2n1CCCCC2	EMOLS-id_318119737,MCULE-9040319643	312.409	QALRRZHVHPILJL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045670
COc1ccc2c(c1NCc1nnc3n1CCCCC3)CCC2	EMOLS-id_100822541,MCULE-5522617324	312.409	QFZAHOGHCIPTBY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045671
COc1cccc2c1CCC2NCc1nnc2n1CCCCC2	EMOLS-id_318730623,MCULE-3467703257	312.409	MJBPVAWFGPUXAT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045672
COc1cncc(c1)C=CCCN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318925167	312.409	KVFUOLXWZRJVCZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045673
C(OCC1CN(Cc2ccccn2)Cc2ccnn2C1)C1CC1	EMOLS-id_44327031	312.409	KXIORFNYGHXJMT-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-045674
CO[C@@H]1[C@H](NCc2nnc3n2CCCCC3)Cc2c1cccc2	MCULE-2158283084,EMOLS-id_320015040	312.409	AKFDMEBWNXRFHB-QAPCUYQASA-N	00000010100000100101000000001010000000000000000000000000	31-01-045675
Oc1ccc(cc1)C1CCCN1Cc1nnc2n1CCCCC2	EMOLS-id_318416869	312.409	BTYLSIWMWQRKHZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-045676
OC1CC(N(C1)Cc1nnc2n1CCCCC2)c1ccccc1	EMOLS-id_318023315	312.409	UNSOHXNQTWGXQY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-045677
O=c1n(CN2CCCC2c2ccccc2)nc2n1CCCCC2	MCULE-5349205107,EMOLS-id_13495585,PC-id_17456799	312.409	PYHNUGBXPKZFBT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-045678
O=c1n(CN2CCC[C@H]2c2ccccc2)nc2n1CCCCC2	PC-id_25970773,CoCoCo_4555457,CoCoCo_4555455,ZINC22_14163693	312.409	PYHNUGBXPKZFBT-INIZCTEOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-045679
O=c1n(CN2CCC[C@@H]2c2ccccc2)nc2n1CCCCC2	ZINC22_14163689,PC-id_25970769,CoCoCo_4555454,CoCoCo_4555456	312.409	PYHNUGBXPKZFBT-MRXNPFEDSA-N	00000010100000110101100000000010000000000000000000000000	31-01-045680
O=C(c1ccc(cc1)NCc1cnc2n1CCCCC2)N(C)C	MCULE-3966727949,EMOLS-id_318579044	312.409	NKBSLJODMBSFTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045681
O=C(C1CCn2c(CC1)nnc2)NC(c1ccccc1)C(C)C	EMOLS-id_319584085	312.409	YZUOXJKYOVWCKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045682
OCC1(NCc2nnc3n2CCCCC3)Cc2c(C1)cccc2	MCULE-4178198589,EMOLS-id_99215319	312.409	IEJHGOHAAHCHBQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045683
O=C(c1n[nH]c2c1CCC(C=C2)(C)C)N1CN2C3(C1CC3)CC2	PC-id_143798250	312.409	KBBPIHYCTGSSEZ-UHFFFAOYSA-N	00001010100000000111000000000010000000000000000000000000	31-01-045684
O=C(c1n[nH]c2c1CCCCC2)NCCCc1ccncc1C	EMOLS-id_318897659	312.409	OREYIAPYAYIVEN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045685
O=C(Cc1ccc(c(c1)C)C)NCc1nnc2n1CCCCC2	EMOLS-id_318510074	312.409	IAEHPDXRAPQZSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045686
O=C(CCc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_47017149,MCULE-3880931116,EMOLS-id_30696634,ZINC22_48303661	312.409	DPVBSAIOWJAKQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045687
O=C(C(N1CCCc2c(C1)cnn2C)C)Nc1ccccc1C	EMOLS-id_318096631	312.409	DZQOLLTYKKYUMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045688
O=C(C(N1CCCc2c(C1)cnn2C)C)Nc1cccc(c1)C	EMOLS-id_318356544	312.409	BTVDXUFGUJUUNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045689
O=C(C(Nc1ccccc1)(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_318564353	312.409	UHGVDFRYAPZSRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045690
O[C@@H](c1nn2c(c1)CN(CCC2)Cc1cccnc1)C1CCC1	PC-id_100029873	312.409	ZPSARIGMFHUVDW-GOSISDBHSA-N	00001000100000101101000000000010000000000000000000000000	31-01-045691
O[C@H](c1nn2c(c1)CN(CCC2)Cc1cccnc1)C1CCC1	PC-id_100029875	312.409	ZPSARIGMFHUVDW-SFHVURJKSA-N	00001000100000101101000000000010000000000000000000000000	31-01-045692
O=C(N1CCc2c(CC1)nc[nH]2)Nc1ccc(cc1)C(C)(C)C	PC-id_142022542	312.409	RECGSEIQMQFSOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045693
O=C(N1CCCc2c(C1)cnn2C)c1ccc(cn1)C(C)(C)C	EMOLS-id_102180129	312.409	CYIAWIKDFJZIIE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045694
O=C(N1CCCc2c(C1)cnn2C)CCC(c1ccccc1)N	EMOLS-id_318029085,MCULE-3562839593	312.409	ZNCSLOMAWKPDGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045695
O=C(N1CCCc2c(C1)cnn2C)CCNc1ccccc1C	EMOLS-id_318178806,MCULE-5438663391	312.409	HRPWYNQPQJSKLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045696
O=C(N1CCCc2c(C1)cnn2C)[C@@H](CCc1ccccc1)N	EMOLS-id_318706296,MCULE-2038470403	312.409	WQFZJMPIPSVBRW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045697
O=C(N1CCCc2c(C1)cnn2C)[C@H](CCc1ccccc1)N	MCULE-5397690685,EMOLS-id_318707993	312.409	WQFZJMPIPSVBRW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045698
O=C(N1CCCc2c(C1)cnn2C)CNc1c(C)cccc1C	EMOLS-id_318201571	312.409	JFAJEZFOVUHJSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045699
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(cc1)C(C)C	EMOLS-id_101956733	312.409	WUQRXRCGAHIRMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045700
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)C(C)C	EMOLS-id_101965296	312.409	BKVBFQXWMLQPRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045701
O=C(N1CCCc2c(C1)cnn2C)NCCc1ccccc1C	EMOLS-id_318357578	312.409	QROLKQOUFZQERA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045702
O=C(N1CCCc2c(C1)cnn2C)NCC(c1ccccc1)C	EMOLS-id_318361161	312.409	DZAXGSRSLSAQQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045703
O=C(N1CCCc2[nH]cnc2CC1)NCCCc1ccccc1	PC-id_20803117	312.409	ABPWKPNUFOPVPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045704
O=C(Nc1ccc(c(c1)C)C)CN1CCCc2c(C1)cnn2C	EMOLS-id_318099513	312.409	QCQCNQQKMBDQCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045705
O=C(Nc1ccc(cc1C)C)CN1CCCc2c(C1)cnn2C	EMOLS-id_318201713	312.409	NFGRDIVYTWOIIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045706
O=C(Nc1cccc(c1C)C)CN1CCCc2c(C1)cnn2C	EMOLS-id_318203310	312.409	UDAABNRHYSAMRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045707
O=C(Nc1cc(C)cc(c1)C)CN1CCCc2c(C1)cnn2C	EMOLS-id_318169170	312.409	NXVWFXBXTDNJKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045708
O=C(Nc1cc(C)ccc1C)CN1CCCc2c(C1)cnn2C	EMOLS-id_318355264	312.409	KOTOBOFUXKTURD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045709
O=C(Nc1c(C)cccc1C)CN1CCCc2c(C1)cnn2C	EMOLS-id_318602166	312.409	XVIHFXBDYUSJLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045710
O=C(N(C(c1ccccc1)(C)C)C)C1CCn2c(CC1)nnc2	EMOLS-id_278167838	312.409	OGCLMVMMIRATDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045711
O=C(NC(c1n2CCCCCc2nn1)C)Cc1c(cccc1)C	MCULE-7359509374,PC-id_53520335,EMOLS-id_35688588	312.409	LHUPXBKXCUHOFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045712
O=C(NCc1nnc2n1CCCCC2)CCc1cccc(c1)C	EMOLS-id_318416938	312.409	NEINLDOWSAJCKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045713
O=C(NCCc1n2CCCCCc2nn1)c1cc(c(cc1)C)C	PC-id_51307460	312.409	JVXBXDONWMOPBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045714
O=C(NCCc1n2CCCCCc2nn1)c1ccc(CC)cc1	PC-id_51307455	312.409	ROSOJERBSLJCPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045715
O=C(NCCc1n2CCCCCc2nn1)Cc1c(cccc1)C	PC-id_51307487	312.409	VHHGDPKXUMVKHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045716
O=C(N(C(Cc1ncccc1)C)C)c1n[nH]c2c1CCCCC2	PC-id_46954662	312.409	UJCQUDYKSTZUSY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045717
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cnc(s1)C	EMOLS-id_319100670	312.411	SBBVUSOCVJJFPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045718
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1scc(n1)C	MCULE-9758600622,EMOLS-id_320311616	312.411	RTZUXGVWWITAJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045719
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)Cc1cscn1	EMOLS-id_319584977	312.411	YDEUXRRCTZTVMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045720
Cc1cc(c(s1)S(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_319421045	312.411	XCGXRSUQARAEFW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-045721
Cc1ncc(s1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948643	312.411	RZUYYWRRDXHGND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045722
CCn1ncc(n1)S(=O)(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319458986	312.411	DNWQRDQEPUFRTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045723
Cn1ccc(n1)S(=O)(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_97734125	312.411	WOGXDMMPVPJPGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045724
Cn1ncc2c1CCCN(C2)S(=O)(=O)Cc1cscn1	EMOLS-id_319525333	312.411	QFRSTKMUTFYUHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045725
c1ccc(cc1)N1CCC(CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102028172,MCULE-1472315904	312.413	UETUIJNHROAJCY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-045726
c1ccc(cn1)C1CCCC(C1)NC1CCn2c(CC1)nnn2	EMOLS-id_318594082,MCULE-4125763320	312.413	ZTQAJTVWECIZTQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-045727
c1ccc(cn1)CN1CCCn2c(C1)nnc2CN1CCCC1	PC-id_97413613	312.413	HORUHFNNWBDANT-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-045728
c1cncc(CN2CCCn3nnc(CN4CCCC4)c3C2)c1	EMOLS-id_44370520,PC-id_97519568,ZINC22_96259485	312.413	CAABMJIGKVCFJD-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-045729
c1cnc(nc1)C1CCCCN1Cc1nnc2n1CCCCC2	EMOLS-id_318783185	312.413	QUZAGNHIHNKULW-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-045730
Cc1cc(NCc2nnc3n2CCCCC3)nc(n1)C1CCC1	MCULE-7239160420,EMOLS-id_318440794	312.413	DASMNLBAQWOLTD-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-045731
CCc1ccc(cc1)NC(=NCc1nnc2n1CCCCC2)N	PC-id_111031914	312.413	IWCWNWDSQCEUAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045732
CCc1cccc(c1)NC(=NCc1nnc2n1CCCCC2)N	PC-id_111031918	312.413	PINRCIZJTKQQJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045733
CN=C(NCc1nnc2n1CCCCC2)NCc1ccccc1	PC-id_110954270	312.413	NHYWTKLAFBSUIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045734
NC(=NCc1nnc2n1CCCCC2)Nc1ccc(c(c1)C)C	PC-id_111031896	312.413	NBORNIPAUVFQAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045735
NC(=NCc1nnc2n1CCCCC2)Nc1cc(C)cc(c1)C	PC-id_111031890	312.413	UAWUEOHXYLTAMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045736
NC(=NCc1nnc2n1CCCCC2)NCCc1ccccc1	PC-id_111031888	312.413	WMVBFNYTRRNBIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045737
NC(=NCCc1nnc2n1CCCCC2)Nc1cccc(c1)C	PC-id_111039117	312.413	VEGZXFARLRMKOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045738
NC(=NCCc1nnc2n1CCCCC2)Nc1ccc(cc1)C	PC-id_111039157	312.413	HUJXQUCAMZZNRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045739
NC(=NCCCc1nnc2n1CCCCC2)Nc1ccccc1	PC-id_110935168	312.413	PNGZMCZCTAZOPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045740
O=CCCCCCOCC1(CC)COc2c(OC1)csc2	PC-id_142704883	312.424	OSJSUWLSRGVNGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045741
CN(S(=O)(=O)N1CCCc2c(C1)cco2)C1CCCCC1	EMOLS-id_99304523	312.428	ZIEMUWZMLGGBLR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-045742
CS(=O)(=O)N1Cc2cccn2C[C@H](CCOCC2CC2)C1	ZINC22_585095055	312.428	BWEBOTVMJIEOQE-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-045743
CS(=O)(=O)N1Cc2cccn2C[C@@H](CCOCC2CC2)C1	ZINC22_585095056	312.428	BWEBOTVMJIEOQE-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-045744
CS(=O)(=O)N1CC(CCOCC2CC2)Cn2cccc2C1	EMOLS-id_313836836	312.428	BWEBOTVMJIEOQE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-045745
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCCCC2)n1	MCULE-4893830802	312.429	JPXVMBXZSWEBLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045746
Cc1ccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)cc1	EMOLS-id_334603893	312.429	JPXVMBXZSWEBLQ-VAWYXSNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045747
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)CCC2	EMOLS-id_319615835	312.429	XXPZJYRYHWINKL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045748
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc2c1CCC2	EMOLS-id_318934568	312.429	ZPLHSGGEXVKZPV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045749
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc(c1)C1CC1	EMOLS-id_319311793	312.429	PEAAUAFHNAIVLH-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-045750
C=CC(C(=O)N1CCCCc2c1sc(n2)C)c1ccccc1	EMOLS-id_319721868	312.429	HDSUIGZJOPMSCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045751
COc1ccc(cc1)/C=C/C=C/c1nc2c(s1)NCCCC2	SCHEMBL8317159	312.429	WCQWRJUNMKQFFD-YALUOGEHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045752
O=C(c1ccc(cc1)C(C)C)Nc1nc2c(s1)CCC=CC2	PC-id_143038294	312.429	ADZHFKVHZITZCS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-045753
O=C(N1CCCCc2c1sc(n2)C)C1Cc2c(C1)cccc2	EMOLS-id_318980265	312.429	KKBRWCMOVDALBY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045754
O=C(N1CCCCc2c1sc(n2)C)C1CCc2c1cccc2	EMOLS-id_318914174	312.429	ZJQZYYIMGOQRIO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045755
O=C(N1CCCCc2c1sc(n2)C)[C@H]1C[C@@H]1c1ccccc1	EMOLS-id_319214902	312.429	XPLYTDAWXAHXBA-CABCVRRESA-N	00100000100000110101100000000010000000000000000000000000	31-01-045756
s1c2N(Cc3ccc(cc3)C)C(=O)CN=C(c2c(c1C)C)C	PC-id_59936966	312.429	VYGGGSPTDFNPJX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-045757
s1c2NCCCCc2nc1C=CC=Cc1ccc(OC)cc1	PC-id_54423831	312.429	WCQWRJUNMKQFFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045758
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)N1CCCCC1C	EMOLS-id_319072464	312.431	DRMZRRKYAHTCLD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045759
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)N1CCCCCC1	EMOLS-id_319864507,MCULE-1487804571	312.431	BMROBSVIJGMROR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045760
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)N(C(C1CC1)C)C	EMOLS-id_319239936	312.431	ZGXRNSHSYBKUQE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-045761
CC1CCCC(C1)CS(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319509916	312.431	PXRXQFZOJOLUHY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045762
CC1CC(C)CC(C1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319730707	312.431	QMZMJLWQOSUOGP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045763
CC1CCCCN1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948304	312.431	QODDNNPYYWXLLV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045764
CC1CCN(CC1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946054	312.431	MUAYGOZNMYUKIQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045765
CC1CCN(CC1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320043115,MCULE-1494645958	312.431	YLLMTUWCVMFYLR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045766
CC1CCN(CCS1(=O)=O)Cc1nnc2n1CCCCC2	EMOLS-id_100721059	312.431	AFRLVLWNZJEJFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045767
CC1CN(CCS(=O)(=O)C1)Cc1nnc2n1CCCCC2	EMOLS-id_100819535	312.431	LPTWYQFROTZVLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045768
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)CC1CC1	EMOLS-id_100293717	312.431	OPQZJSFGHCGOLU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-045769
CCC(C(=O)O)(CCCSc1nnc2n1CCCCC2)N	PC-id_106807367	312.431	YWTKNBMFJVSZGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045770
CCS(=O)(=O)N1CC(CN2CCCC2)Cn2c(C1)ncc2	PC-id_118739158	312.431	OUGYWAIZYBDTBT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045771
Cn1ncc2c1CCCN(C2)S(=O)(=O)N1CCCCCC1	EMOLS-id_101946066	312.431	JYHUSJCJTAHNLU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045772
CS(=O)(=O)N1CCc2n(CC1)c(cn2)CN1CCCCC1	PC-id_97408439	312.431	FKUBZVMDTVIPPW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045773
CS(=O)(=O)NCC1CN(CC2CCC2)Cc2ccnn2C1	EMOLS-id_55743335	312.431	GEBKAPBVPCJRRJ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-045774
CS(=O)(=O)NC[C@@H]1CN(CC2CCC2)Cc2ccnn2C1	ZINC22_306127651	312.431	GEBKAPBVPCJRRJ-CYBMUJFWSA-N	00001000100000000101000000000010000000000000000000000000	31-01-045775
CS(=O)(=O)NC[C@H]1CN(CC2CCC2)Cc2ccnn2C1	ZINC22_306127652	312.431	GEBKAPBVPCJRRJ-ZDUSSCGKSA-N	00001000100000000101000000000010000000000000000000000000	31-01-045776
S1(=O)(=O)CCC(NC(c2n3CCCCCc3nn2)C)CC1	PC-id_43746969	312.431	MSMWRSJMRXMPQJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045777
S1(=O)(=O)CC(NC(c2n3CCCCCc3nn2)C)CCC1	PC-id_63924198	312.431	UKZRQJXDSHOWRJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045778
S(c1n2CCCCCc2nn1)CCCCC(N)(C)C(=O)O	PC-id_61935464	312.431	HTLLTGMUUNFUDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045779
S(c1n2CCCCCc2nn1)CCCC(N)(C)C(=O)OC	PC-id_61935638	312.431	BVGJSCXVRLHAIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045780
S(c1n2CCCCCc2nn1)CCC(NCCC)C(=O)O	PC-id_63033966	312.431	ZOROOFFYNJQICT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045781
S(c1n2CCCCCc2nn1)CCC(NC(C)C)C(=O)O	PC-id_63034677	312.431	DFDHASMOYFVNGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045782
S(c1n2CCCCCc2nn1)CCC(NCC)C(=O)OC	PC-id_63034144	312.431	CQAYKTFSQBQRKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045783
S(c1n2CCCCCc2nn1)CCC(N)(C)C(=O)OCC	PC-id_61933177	312.431	RDAUTSFDVUTGKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045784
S(c1n2CCCCCc2nn1)CCC(NC)C(=O)OCC	PC-id_63034500	312.431	OUTWOZQBTHPUIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045785
S(c1n2CCCCCc2nn1)CC(NC(C)C)C(=O)OC	PC-id_61933187	312.431	KHWBCRIUPWOXMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045786
S(c1n2CCCCCc2nn1)CC(NCCC)C(=O)OC	PC-id_61935653	312.431	VVZRLTCZOSKVMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045787
S(c1n2CCCCCc2nn1)CC(NC)(C)C(=O)OCC	PC-id_61932979	312.431	JLDISJSMKPFZIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045788
S(c1n2CCCCCc2nn1)CC(NCC)C(=O)OCC	PC-id_61935651	312.431	RHWVIMLUCDVVIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045789
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CCN1C=CC=C1C(=O)C2=C(C=C3N2CCCCC3C(=O)[O-])C	PC-id_152767902	313.156	YIWXZBZJYKYEKU-UHFFFAOYSA-M	00000000110000000100000000000010000000000000000000000000	31-01-045887
C1CCC2=C(CC1)NN=C2C(=O)O[C@H]3CCN(C3)CC(F)F	EMOLS-id_257919590,MCULE-5455203084,PC-id_154754246	313.16	AMPIMXJVSCLFSA-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-045888
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)C)C2)C	PC-id_161122191	313.179	ULCDFPUERMUVBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045889
Clc1cnc(c(c1)Cl)CNC1CCn2c(CC1)nnn2	EMOLS-id_318539430,MCULE-9671681157	313.186	NFYDUXIWTIFADD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045890
Clc1cncc(c1CNC1CCn2c(CC1)nnn2)Cl	MCULE-2847821535,EMOLS-id_318434260	313.186	XEXKFKBWJAEWBG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-045891
BrCCCCn1c2c(C(=O)CCN(C2=O)C)cc1	PC-id_10591260,SCHEMBL6994882	313.19	HUEFCKJNJWJDDU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045892
BrCCCCn1c2c(C(=O)N(CCC2=O)C)cc1	SCHEMBL6993141,PC-id_22011277	313.19	NAVUJVUWNMIFJP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045893
BrCCCCN1CCC(=O)c2c(C1=O)n(C)cc2	PC-id_10852639,SCHEMBL6997801	313.19	GAZVHYROGVWHRQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045894
CC1=C(C=CC=C1NCC2=NN=C3N2CCCCC3)C(=O)NC	EMOLS-id_317741981,PC-id_154735905,MCULE-9053580648	313.19	IOIOKXRJPUKAFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045895
CCN(C1=CC(=CC(=C1)C)C)C(=O)C2CCC3=NN=NN3CC2	EMOLS-id_317325280,PC-id_154763028,MCULE-8831327342	313.19	ZGTWEWKKJVAOOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045896
BrCC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_39933893,PC-id_63678895	313.213	KJHXBTLVRPQMJO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-045897
O=CC1=CC(=O)Oc2c(OC1=O)ccn2Nc1ccnc(c1)C	PC-id_140350126	313.265	NFPQLYHYRSVYTF-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-045898
O=CC1=CC(=O)Oc2c(OC1=O)n(cc2)Nc1ccnc(c1)C	PC-id_140350117	313.265	JQLPRLNANYZOAR-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-045899
FC(F)(F)c1cccc(OCc2nnc3n2CCOCC3)c1	PC-id_136551600,MCULE-6472557172,ZINC22_594639416,EMOLS-id_316914383	313.275	QARGJGNUDPFZET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045900
O=C(c1ncn(c1)CC(F)(F)F)N1CCCc2c(C1)cco2	EMOLS-id_320255845,MCULE-3804337840	313.275	CEWIERMSMKWWTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045901
O=C(c1n[nH]c(c1C(F)(F)F)C)N1CCCc2c(C1)cco2	MCULE-2526558575,EMOLS-id_320014599	313.275	YGBOUHKSWHZFOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045902
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nc[nH]c1C(F)(F)F	EMOLS-id_318936038	313.278	AXUXRQGDULRPQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045903
O=C(c1ncn(c1)CC(F)(F)F)N1CCCc2c(C1)c[nH]n2	MCULE-4775740591,EMOLS-id_320305972	313.278	SAAGHMTZVSTOOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045904
O=C(c1[nH]nc(c1)C(F)(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_101845231	313.278	ZCAYTLQSZULWIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045905
O=C(c1[nH]ncc1C(F)(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_316418414,MCULE-8568052894	313.278	YYPYQPMNONAZSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045906
O=C(c1n[nH]c(c1C(F)(F)F)C)N1CCCc2c(C1)c[nH]n2	MCULE-5180809846,EMOLS-id_258138886	313.278	XGXFJCHWNJQHST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045907
Cn1nc(c2c1OCC(NC2)CS(=O)(=O)C)C(F)(F)F	EMOLS-id_304087544	313.297	YHPVAILZLFOHFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045908
o1c2CCCCC(=O)c2c(c1)C(=O)Nc1cc2OCOc2cc1	PC-id_9904893,SCHEMBL6950344	313.305	FNMUCXOGLHZEOY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045909
o1c2CCCCC(=O)c2c(c1)C(=O)NC1Oc2c(O1)cccc2	PC-id_54024416	313.305	LBEGXWNMKVLVPA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045910
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(N=[N+]=[N-])cc2)CC	PC-id_85864878	313.308	WSSVVTNYDPJEHW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045911
COCCNC(=O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580248,SCHEMBL14965889	313.31	CRYTZVQQQIFJLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045912
O=C(c1nnn2c1c(=O)[nH]c(c2)C)N1CCCc2c(C1)cco2	EMOLS-id_318834707	313.311	CNIFJCJQUKDYAG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045913
c12C(CCCCn1nnn2)C(=O)NCc1oc2c(nccc2)n1	MCULE-8502312035,PC-id_154570240,EMOLS-id_324151358	313.315	QZPBCFWHLMNLQU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045914
Cn1ncc(c1)c1noc(c1)C(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320192336,MCULE-3786895342	313.315	DPIYUWVBQSDVLO-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-045915
O=C(c1ccno1)N1CCCn2nnc(Cn3cccn3)c2C1	EMOLS-id_44370652,ZINC22_96259552,PC-id_97519634	313.315	PDORLSAOWHYQBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045916
O=C(c1nn(c(n1)C)c1nnc[nH]1)N1CCCc2c(C1)cco2	EMOLS-id_99616589	313.315	VRIBTTKIHSUCTA-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-045917
O=C(NCc1nc2ncccc2o1)[C@@H]1CCCCn2nnnc12	ZINC22_1857710811	313.315	QZPBCFWHLMNLQU-SECBINFHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045918
O=C(NCc1nc2ncccc2o1)[C@H]1CCCCn2nnnc12	ZINC22_1857710812	313.315	QZPBCFWHLMNLQU-VIFPVBQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-045919
CC(=CC#N)C=CC=C(c1c2-c(ccccc2)cc1)C(F)(F)F	PC-id_88434860	313.316	XGTRKKZZYHKSKL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045920
N#C/C=C(/C=C/C=C(/C(F)(F)F)c1ccc2-c1ccccc2)C	SCHEMBL9249909	313.316	XGTRKKZZYHKSKL-CEEANWGVSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045921
CCN(CCCn1c2-c(ccccc2)nc1=O)CC(F)(F)F	ZINC22_1615553705,MCULE-8457178846,EMOLS-id_317017121	313.318	YIEBOVWGNJSZJU-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-045922
O=C(c1cc[nH]n1)N1CCCn2nnc(Cn3cnnc3)c2C1	PC-id_97519641,ZINC22_96259559,EMOLS-id_44370666	313.318	SPUHQNKCHHLZEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045923
CC1CN(Cc2c(C1)[nH]nc2)Cc1nccn1CC(F)(F)F	MCULE-8777461846,EMOLS-id_320005305	313.321	QAFFHELTSMZYMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045924
CC1CN(Cc2cnn(c2C(F)(F)F)C)Cc2c(C1)[nH]nc2	EMOLS-id_319309179	313.321	VEILWTDAHVOFHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045925
CC1CN(Cc2nn(c(c2)C(F)(F)F)C)Cc2c(C1)[nH]nc2	EMOLS-id_319387723	313.321	MHLQPEGKMFBSGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045926
Cc1nc2c(s1)N(CCCC2)C(=O)c1ocnc1C(F)F	EMOLS-id_319574070	313.323	BOHNRJQSXAWRPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045927
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c(o1)ccc(c2)F	EMOLS-id_320049604,MCULE-7238237529	313.326	SPWZSBAJZNQAAD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045928
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c(o1)c(F)ccc2	EMOLS-id_320279182,MCULE-4403943660	313.326	KMYXQQUUQWYOEW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045929
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c2c1cco2)F	EMOLS-id_319495104	313.326	CUHIJPLSGWMQQB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045930
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc2c1cc(F)cc2	MCULE-3772736980,EMOLS-id_319875297	313.326	DZXWRIWRIWDKAE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045931
FC(c1ccsc1C(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_320128440,MCULE-1637749572	313.326	FKJXOANCBSUFSO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-045932
FC(c1nnc(s1)NC(=O)c1cnc2n1CCCCC2)F	EMOLS-id_318646525	313.326	PTLUOMVGSJPPHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045933
S(=O)(=O)(c1c2-c(cc1)ccccc2)c1c([N+](=O)[O-])cccc1	PC-id_85916722	313.328	KBOZTRMUYVPTTE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-045934
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1F)nc[nH]2	MCULE-2084131114,EMOLS-id_320259941	313.33	DNVOHDHNHVDBSN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045935
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncc2n1cccc2F	EMOLS-id_318816647	313.33	HUPANDMXKPPYHT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045936
Fc1ccc2c(c1)ccn2CC(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319694844	313.33	JESBDMWSLIJZPL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-045937
Fc1ccc2c(c1)c(nn2C)C(=O)N1CCCc2c(C1)c[nH]n2	MCULE-6207379485	313.33	RUDDCERMOBUKCA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045938
Fc1cc(C(=O)N2CCCc3c(C2)cnn3C)c2c(c1)[nH]cn2	EMOLS-id_101846422	313.33	MXOAGUHVHOFAEC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045939
N#Cc1ccc(c(c1)CNC(=O)C1CCn2c(CC1)nnc2)F	MCULE-1173883464,EMOLS-id_320067852	313.33	OCVDVQWQTQEHRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045940
N#Cc1ccc(cc1F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101862557	313.33	KULQUNXKRGPWFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045941
N#Cc1cc(ccc1F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101955069	313.33	VXQIROUJNIOKNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045942
N#Cc1cc(F)ccc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101943522	313.33	ZXDZSPPORUSNRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045943
O=C(c1ccc2c(c1F)nc[nH]2)N1CCCc2c(C1)cnn2C	MCULE-1194339774,EMOLS-id_320067536	313.33	BZLILXCGFUDLTO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-045944
C1C(c2c(NC=N1)n(cn2)CCc1cccc(c1)CC(=O)[O-])O	PC-id_91931329,BindingDB_PC-id_91931329	313.331	YTFAUKTYSFFEMW-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-045945
C1C(c2c(NC=N1)n(cn2)CCCc1ccccc1C(=O)[O-])O	PC-id_91931330,BindingDB_PC-id_91931330	313.331	UHZKFMSMJRYBRZ-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-045946
C1C(c2c(NC=N1)n(cn2)CCCc1cccc(c1)C(=O)[O-])O	PC-id_91931335,BindingDB_PC-id_91931335	313.331	TWAUWJHYPYCMFY-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-045947
Cc1noc(C)c1S(=O)(=O)N1CCc2n[nH]c(=O)n2CC1	MCULE-6819596358,PC-id_91910608,EMOLS-id_49731319	313.333	HZILSTMNUKACNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-045948
FC(CN1CCC(C1)NC(=O)c1noc2c1CCCCC2)F	EMOLS-id_101778928	313.343	QKVNJDKZATZEQF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045949
CN(C(=O)C1CCn2c(CC1)nnn2)C1CCC(CC1)(F)F	MCULE-7759166045,EMOLS-id_316889782,PC-id_145878793	313.346	JSZIMVDBSRCRGI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045950
FC(CN1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_319506322	313.346	IQBOLHDKLBSQJR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-045951
O=C(C1NCC(C1)(F)F)NCCc1nnc2n1CCCCC2	PC-id_120351278	313.346	WZLVCGCLZCLKRG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-045952
COc1ccccc1C(=O)c1ccc2n1CCCCC2C(=O)O	PC-id_20483674,SCHEMBL11195407	313.348	NFPRSAHHGHESFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045953
COc1ccc(cc1)C(=O)c1ccc2n1CCCCC2C(=O)O	PC-id_20483845,SCHEMBL11195795	313.348	SUZJKMUXTGHDSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045954
COCc1cccc(c2-c1c(cc2C#N)C(=O)OCC)COC	PC-id_101618223	313.348	UPKJDBGZJQMZTK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-045955
COC(=O)c1cc(c2-c1ccccc2)C(=O)CN1CCOCC1	PC-id_101134815	313.348	ULZOVWZWVUNMKH-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-045956
O=C(N1CCCc2c(C1)cco2)c1ccc(cc1)C1(O)COC1	EMOLS-id_319082143	313.348	GHIQXEDIXBRZMO-UHFFFAOYSA-N	00001000100000110100100000000010000000000000000000000000	31-01-045957
O=C(N1CCCc2c(C1)cco2)CCc1ccccc1C(=O)O	EMOLS-id_318787858,MCULE-3246125309	313.348	CFBJMIHROTWYLG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045958
O=C(N1CCCc2c(C1)cco2)CCc1ccc(cc1)C(=O)O	MCULE-5382865376,EMOLS-id_318576026	313.348	PZVKSLYWWJFOIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045959
OC(=O)CCc1ccccc1C(=O)N1CCCc2c(C1)cco2	MCULE-4228583464,EMOLS-id_318467866	313.348	PUUGDRPFQDCYCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-045960
O(C(=O)c1c2-c(c(c1C=Cc1ccccc1)C#N)ccccc2)C	PC-id_86004777	313.349	MUGSZDUGUGUNEK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-045961
c1(C(=O)Nc2ccc3c(OCO3)c2)c2CCCCCCc2[nH]n1	EMOLS-id_46576511,ZINC22_257339490,MCULE-1676116168,BDD-25323808,PC-id_110089363	313.351	ZBYXSBHOKRZXMP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-045962
c1(C(=O)Nc2ccccc2C(=O)OC)c2CCCCCc2[nH]n1	EMOLS-id_334974181,MCULE-3232045267	313.351	HFTIZTKAWHGCBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045963
c1(C(=O)Nc2cccc(c2)NC(=O)C)c2CCCCCc2on1	MCULE-3335359518,PC-id_45491251,EMOLS-id_29921073,ZINC22_36353818,STOCK6S-87049	313.351	XUETYDOEDSIASK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045964
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c1(C(=O)NCc2ccc(cc2)C(=O)O)c2CCCCCc2[nH]n1	MCULE-4251997381,EMOLS-id_323252409	313.351	GGLDKDHTZRZSIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-045966
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CC1CN(Cc2c(C1)[nH]nc2)Cc1[nH]c(=O)c2c(n1)n(C)nc2	MCULE-4280122875,EMOLS-id_320125030	313.358	SLQCNTOJMJHBQB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046058
C[C@H](c1nn2c(c1)CN(CCC2)Cc1nn2c(n1)nccc2)O	PC-id_99999309	313.358	JSFRNBALDMLTHH-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046059
C[C@@H](c1nn2c(c1)CN(CCC2)Cc1nn2c(n1)nccc2)O	PC-id_99999312	313.358	JSFRNBALDMLTHH-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-046060
CC(O)c1cc2CN(Cc3nc4ncccn4n3)CCCn2n1	EMOLS-id_55712862,MCULE-9772655957,PC-id_91798118	313.358	JSFRNBALDMLTHH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046061
O=C(C1CCn2c(CC1)nnn2)NC1CN(C1)c1ccccn1	EMOLS-id_320284306,MCULE-3523351407	313.358	QSWFUSDCPJBABG-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-046062
O=C(Nc1ccc2c(n1)CCC2)NC1CCn2c(CC1)nnn2	EMOLS-id_102025888	313.358	VHIRYRDAEDHYOC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046063
O=C(Nc1nccc(c1)C1CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102018343	313.358	UWNSWFPSNFKCAB-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-046064
Cn1ccnc1CN1CCCn2c(Cn3cnnc3)nnc2C1	EMOLS-id_44370896,ZINC22_96259676,PC-id_97519758	313.361	QTQCYTWMBOFMBJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046065
O(C(C)(C)C)C(=O)CC(Cc1c2-c(cc1)ccccc2)C(=O)[O-]	PC-id_86199085	313.368	HFGKMYGEQADITI-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-046066
C1(c2ccc(cc2)F)(CC1)C(=O)N1CCCn2nc(C)cc2C1	EMOLS-id_46068179,MCULE-7618146449,ZINC22_91694986,PC-id_72897231	313.369	KYABDUXTZRAYGX-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046067
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)c1cccc(c1)F	EMOLS-id_318831871	313.369	AYPSSQFMBJMPMB-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046068
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)c1ccccc1F	EMOLS-id_320120787,MCULE-7489107125	313.369	OVDYPBBTXKUURG-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046069
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCc2c1ccc(c2)F	EMOLS-id_319699525	313.369	HKOTZMDSXXYNOC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046070
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC=Cc1ccc(cc1)F	EMOLS-id_319002365	313.369	HJHBHKHJLICVJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046071
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@H]1C[C@@H]1c1cccc(c1)F	EMOLS-id_318773234	313.369	MVZLJQSSSNLEQH-ZNQYIGRYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046072
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)F	MCULE-7152056411,EMOLS-id_320094348	313.369	JLCWUPXTEOQFDQ-JNMIHDSVSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046073
CCOC(=O)N1CCc2c(CC1)sc(c2O)C(=O)OCC	SCHEMBL3004364,PC-id_59302577	313.369	FUFCOHJJPDWFEY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-046074
Fc1cccc(c1)C1(CC1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318562085	313.369	DGBKEHMLGATTMZ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046075
Fc1ccccc1C1(CC1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318576643	313.369	GXMDLQNLXVMPCD-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046076
Fc1ccc(cc1)C1(CC1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318600744	313.369	VFILQCQJNWRWOY-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046077
Fc1cccc(c1)C1CC1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318624140	313.369	DZQSBGDDXRUEQB-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046078
Fc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318535401	313.369	LZBZWRIBUPUZCN-LSDHHAIUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046079
Fc1cccc(c1)[C@@H]1C[C@H]1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318623884	313.369	DZQSBGDDXRUEQB-LSDHHAIUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046080
Fc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318662194	313.369	MTGYBFNGKJXKHO-DZGCQCFKSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046081
O=C(C1(COC1)CS(=O)(=O)C)N1CCCc2c(C1)cco2	EMOLS-id_319007450	313.369	KUBXYJNCWSTEEO-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-046082
CC(=O)Nc1c(c2=CC=CC=CC=CC=CC=c2s1)C(=O)O	PC-id_90932934	313.371	IRKAYQSIJOOERL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-046083
c1ccc(cc1)C[n+]1ccnc(c1)Oc1cc2-c(c1)ccccc2	PC-id_139736422	313.372	ALUQVPIBZMALCN-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-046084
c1ccc(cc1)C[n+]1ccncc1Oc1cc2-c(c1)ccccc2	PC-id_139736642	313.372	ICPXXYCVQGPNCS-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-046085
CNC1C(=O)N(CCc2c1ocn2)CC1CCCS1(=O)=O	SCHEMBL14171255,PC-id_23554709	313.373	VURXIABBQUFIIB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-046086
CNC1C(=O)N(CCc2c1ocn2)CC1CCS(=O)(=O)C1	SCHEMBL14171247,PC-id_23554713	313.373	CBBBSWBTJDFOHV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-046087
N#Cc1ccc(cc1F)C(NCc1nnc2n1CCCCC2)C	MCULE-1575725757,EMOLS-id_318491588	313.373	DHRVMBCVBHQTLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046088
O=C(C1(COC1)CS(=O)(=O)C)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319730778	313.373	RVRSFAJSYOLETM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-046089
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)C1CCOC1	EMOLS-id_112057034	313.373	JZJNNNXDOXWQRZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-046090
O=C(c1noc2c1CCCCC2)N1CCC(C1)S(=O)(=O)N	EMOLS-id_111930079	313.373	WTQSFQQWTQFVLR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-046091
O=C(Nc1nc2c(s1)CCCCC2)NCC(C(=O)O)(O)C	EMOLS-id_72854243,MCULE-2802104187,PC-id_122074613	313.373	OHOGNBQTPWYXCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046092
c12C(=O)NCCCc1nc(NC(=O)C=Cc1ccccc1)s2	MCULE-8923125653	313.374	BIROARKCRCRYFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046093
c1(C(=O)/N=c/2sc3c(cccc3)[nH]2)c2CCCCCc2on1	EMOLS-id_29923731,STOCK6S-88846,PC-id_45492422,EMOLS-id_46526673,ZINC22_36357570,MCULE-8631651729	313.374	CVTIOBMTWBIWQG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046094
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc2c(o1)cccn2	EMOLS-id_319022037	313.374	YQVYAFYOAOXYEC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046095
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc2c(o1)ccnc2	EMOLS-id_319545939	313.374	AMSOJHCPBLFJQJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046096
Cc1nc2c(s1)N(CCCC2)C(=O)c1onc2c1cccc2	EMOLS-id_318903349	313.374	VHIUMLWMAWMNJZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046097
N#Cc1c(sc2c1CCCCC2)Nc1ccccc1[N+](=O)[O-]	2226097_OpenMolecule,CT-id_2226097,PC-id_139078910	313.374	XKTVUFSIMWTBPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046098
O=C(c1cn[nH]c1c1ccco1)N1CCCc2c(C1)ccs2	EMOLS-id_318112948	313.374	IMWVQDWKBCEILY-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-046099
O=C(c1[nH]nc(c1)c1cccs1)N1CCCc2c(C1)cco2	MCULE-1335372971,EMOLS-id_177309600	313.374	KLLFDJJBIRPKHM-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-046100
O=C(c1noc2c1CCCCC2)Nc1ccc2c(c1)ncs2	EMOLS-id_100579672	313.374	GFHZENZOTDMZEQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046101
O=C(c1noc2c1CCCCC2)Nc1ccc2c(c1)scn2	EMOLS-id_100924800	313.374	FOABZSRDNFAZHK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046102
O=C(c1sc2c(c1N)cccn2)N1CCCc2c(C1)cco2	EMOLS-id_319335442	313.374	YGGWCRQMQGAPML-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-046103
O=C(/C=C/c1ccccc1)Nc1nc2c(s1)C(=O)NCCC2	ZINC22_211128897,PC-id_72719975,EMOLS-id_50139199	313.374	BIROARKCRCRYFO-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046104
O=C(N1CCCc2c(C1)cco2)Cc1cccc2c1nsn2	EMOLS-id_319798198	313.374	AYTWLSPEXXBXFA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046105
O=C1CCCN1Cc1nnn2c1CN(CCC2)S(=O)(=O)C	PC-id_97519573	313.376	XCCPBWOGQPQTFS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-046106
O=C(N1CCCN(S1(=O)=O)C)C1CCn2c(CC1)nnc2	EMOLS-id_319586516	313.376	XPPQLYFJKLYJRY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-046107
c1(C(=O)Nc2ccc3c(cns3)c2)cn2c(CCNCC2)n1	ZINC22_1857735303,EMOLS-id_330436943,MCULE-4706692002	313.377	CBLKUUCTYPGHIY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046108
Cc1cnc2cc(nn2c1)C(=O)N1CCc2ncsc2CC1	BindingDB_PC-id_71748061,BindingDB-id_300535,SCHEMBL15292420,PC-id_71748061	313.377	HQMDCMIPCJVWRJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046109
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2c1nsn2	EMOLS-id_318916718	313.377	WHRPJYXHBYUPAW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046110
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nc2c(s1)nccc2	EMOLS-id_319762200	313.377	HOZGHKDJFCJKEH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046111
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncnc2c1scc2	EMOLS-id_319873057	313.377	QWXHDGKTEVIFSJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046112
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)nn[nH]2	EMOLS-id_318908525	313.377	RTDDNGDRDJGASH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046113
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc2n1cnn2	EMOLS-id_319805653	313.377	BGAPXYMOHMLZHC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046114
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc2n1nnc2	EMOLS-id_318972164	313.377	MXZKBTARZJXYBX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046115
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccn2c1nnc2	EMOLS-id_319188073	313.377	VYRVMPSDQYCJHI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046116
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccnc2n1ncc2	EMOLS-id_319938883,MCULE-3242049395	313.377	XZQLZMSUYAIKTF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046117
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc2c(c1)nc[nH]2	EMOLS-id_319348019	313.377	KUZUWYCFRCKFRA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046118
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc2c(c1)[nH]nc2	EMOLS-id_319672203	313.377	VKWKVVWSXILGSF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046119
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc2n1nccc2	EMOLS-id_320262203,MCULE-9176230445	313.377	IAXNIZTVVJBNRM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046120
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnn2c1cccn2	EMOLS-id_318914532	313.377	AELRUSRLYJSMHW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046121
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnn2c1cncc2	EMOLS-id_318947018	313.377	SKPZIIFRBKCGTF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046122
Cc1nc2c(s1)N(CCCC2)C(=O)c1nccn2c1ncc2	EMOLS-id_319319394	313.377	DZGOMFFJOXDHLO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046123
Cc1nc2c(s1)N(CCCC2)C(=O)c1ncnc2c1cc[nH]2	EMOLS-id_319797060	313.377	HXVPGZRHSMYGAY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046124
Cc1nc2c(s1)N(CCCC2)C(=O)c1nn2c(c1)nccc2	EMOLS-id_319130516	313.377	GIMFQQTWHRSABC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046125
O=C(c1ccc2c(c1)nsn2)N1CCCc2c(C1)cnn2C	EMOLS-id_317098268	313.377	INFBRVGGKHBOSR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046126
O=C(c1cnc2n1CCCCC2)Nc1cccc2c1nsn2	EMOLS-id_316670756	313.377	LXAVDIDHGRQMJV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046127
O=C(c1cnc2n1CCCCC2)Nc1sc2c(n1)cccn2	EMOLS-id_319242692	313.377	WRVGXOHKLILXCF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046128
O=C(c1cnn2c1cccn2)Nc1nc2c(s1)CCCCC2	EMOLS-id_100252046	313.377	JZPSOLADPHXWBC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046129
O=C(c1n[nH]c2c1CCCCC2)Nc1sc2c(n1)cccn2	EMOLS-id_318966232	313.377	NYIOQDCSQZLGOF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046130
O=C(c1ccc2c(n1)cn[nH]2)Nc1nc2c(s1)CCCCC2	EMOLS-id_319320481	313.378	HITXUSULZOQMQP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046131
O=C(c1ccc2n(c1)ncn2)Nc1nc2c(s1)CCCCC2	EMOLS-id_319247521	313.378	DRMNGALAQIFNKG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046132
O=C(c1cccc2n1cnn2)Nc1nc2c(s1)CCCCC2	MCULE-7315101235,EMOLS-id_320154457	313.378	PPBXLZUMXUXJCR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046133
O=C(c1cccc2n1nnc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_318826083	313.378	SERUASKYMHXHMK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046134
O=C(c1cccn2c1ncn2)Nc1nc2c(s1)CCCCC2	EMOLS-id_319771010	313.378	NRTKEGQPUDDCMK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046135
O=C(c1cccn2c1nnc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_318820726	313.378	LMJVNYDVGDKCGE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046136
O=C(N1CCCc2c(C1)c[nH]n2)Cc1cccc2c1nsn2	EMOLS-id_319801421	313.378	FHGVQBPKVZFKCE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046137
O=C(Nc1nc2c(s1)CCCCC2)c1ccc2[nH]nnc2c1	CoCoCo_4564203,PC-id_17566107,MCULE-7883412657,CoCoCo_4564202,EMOLS-id_13520245,CoCoCo_4564201,ZINC22_22375463	313.378	NJVXQVYUUNNNEQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046138
O=C(Nc1nc2c(s1)CCCCC2)c1cn2cccnc2n1	ZINC22_47520256,PC-id_47038304,MCULE-9224202144,EMOLS-id_31968134	313.378	GTMZRFWITVTFLL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046139
S(c1n2CCCCCc2nn1)c1n(nnn1)c1ccccc1	PC-id_4780948	313.381	DMXVRAFJXCIWSW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-046140
Cc1c2-c(ccccc2OCCCN2CCOCC2)c(c1)C=O	SCHEMBL3284425,PC-id_87504744	313.391	ZPSXZZZOKYKBOR-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-046141
Cc1ccc(cc1)C(C(C(=O)N1CCCc2c(C1)cco2)O)C	EMOLS-id_100661765	313.391	HMSITCWTQMBUIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046142
COc1cccc(C(C)(C)C(=O)N2CCCc3occc3C2)c1	ZINC22_868404432	313.391	MBMFEQIDUVRUOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046143
COc1ccc(C(C)(C)C(=O)N2CCCc3occc3C2)cc1	ZINC22_289829695,EMOLS-id_177229938,MCULE-7345246436	313.391	TWXUPGJZEQWVAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046144
O=C(c1c2n(CCCCC2)c(c1)C)c1cc(OC)c(OC)cc1	PC-id_10710314	313.391	OFDKKYLBGKSBQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046145
O=C(C(C(c1ccccc1)C)(O)C)N1CCCc2c(C1)cco2	EMOLS-id_318647669	313.391	NXYUQXOFRGQTJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046146
O=C(Nc1c2-c(c(c1)C)cc(C(C)C)ccc2C)CCC(=O)O	PC-id_129637	313.391	KIBVWPFAMGQHER-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046147
Cc1cc(C)c2-c(c(c1)C)ccc2/C=C/1C(=O)Nc2c1cccc2	PC-id_68581164,SCHEMBL3285122	313.392	IDTPKKVIYCMYHV-UNOMPAQXSA-N	00000010100000100110000000001010000000000000000000000000	31-01-046148
Cc1cc(C)c2-c(c(c1)C)ccc2C=C1C(=O)Nc2c1cccc2	SCHEMBL3285125,PC-id_25264405	313.392	IDTPKKVIYCMYHV-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-046149
c12CN(CCCc1n(nc2)C)C(=O)CCc1ccccc1OC	EMOLS-id_420084,MCULE-3105867813,PC-id_92566447,AOP-17206027,ZINC22_19289634	313.394	AVAZNTRZTWNBJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046150
c12CN(CCCc1n(nc2)C)C(=O)CCc1ccc(cc1)OC	MCULE-2679623546,PC-id_92566444,AOP-19035206,EMOLS-id_360484,ZINC22_19289630	313.394	JMEIKJGKNGNNTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046151
c12CN(CCCn1nc(CO)c2)CC=Cc1ccc(cc1)OC	MCULE-7031472976,PC-id_90647389	313.394	GDZPAYDNAZFZQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046152
c12cnn(C)c1CCCN(C(=O)Cc1ccc(cc1)OCC)C2	MCULE-4175812299,PC-id_92427862,ZINC22_12235259,EMOLS-id_360482,AOP-19035205	313.394	YCXKQOFSQFYARS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046153
c12cnn(C)c1CCCN(C(=O)C(C)Oc1ccc(cc1)C)C2	MCULE-8764437539,PC-id_46956323,LEG-19177718,EMOLS-id_365254	313.394	REDXPHZLOXTTME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046154
c12C(=O)NCCCc1[nH]c(CCc1ccccc1OCCC)n2	MCULE-6935587841,ZINC22_65420242,PC-id_50968179,EMOLS-id_232799672	313.394	SLUFGXUWOSSJOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046155
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1ccc(cc1)OCC)n2	MCULE-5018419471,EMOLS-id_48623596,PC-id_72841594,ZINC22_95497904	313.394	JUEBJMSWTVTUMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046156
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1ccccc1OCC)n2	MCULE-6789098243,ZINC22_65375560,PC-id_50952413,EMOLS-id_32376244	313.394	LHYUBCYYGRZXAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046157
c12C(=O)NCC(C)(C)Cc1[nH]c(CCc1ccccc1OC)n2	PC-id_72922639,EMOLS-id_46642588,MCULE-8095138592,ZINC22_95385227	313.394	QQRZTZDQCDVPLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046158
c12C(=O)NCC(C)(C)Cc1[nH]c(CCc1ccc(cc1)OC)n2	ZINC22_95375549,PC-id_72897768,EMOLS-id_46629906,MCULE-8101324911	313.394	RREZTMRPKLMRFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046159
c1(CN(C)C(=O)[C@H](O)c2ccccc2)c2CCCCCc2[nH]n1	ZINC22_216408235,MCULE-6895576916,PC-id_77096734,EMOLS-id_49897999	313.394	FFYACAYIQRFNAD-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046160
c1(C(=O)Nc2ccc(cc2)OC(C)C)c2CCCCCc2[nH]n1	EMOLS-id_334962936,MCULE-2969591411	313.394	GCQWZXNTBWSPDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046161
c1(C(=O)Nc2ccc(cc2)OCCC)c2CCCCCc2[nH]n1	EMOLS-id_335016420,MCULE-5010763400	313.394	DNXOUTYYSBIZDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046162
c1(C(=O)Nc2cc(C)ccc2OCC)c2CCCCCc2[nH]n1	MCULE-8979944587,EMOLS-id_335004154	313.394	RMYKRPFLRIYXFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046163
c1(C(=O)Nc2cccc(OC(C)C)c2)c2CCCCCc2[nH]n1	EMOLS-id_334989567,MCULE-1365833896	313.394	IZBRAYQPUQAWHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046164
c1(C(=O)Nc2cccc(OCCC)c2)c2CCCCCc2[nH]n1	MCULE-5365272630,EMOLS-id_334985956	313.394	DRXQUOMNCZDIPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046165
c1(C(=O)NCCc2ccccc2OC)c2CCCCCc2n[nH]1	EMOLS-id_49247716,EMOLS-id_50404318,MCULE-7033791426,STOCK7S-46628,PC-id_75357011,ZINC22_96231314	313.394	YAGMVAGIMBIIJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046166
c1(C(=O)NC(C)c2ccc(OC)cc2)c2CCCCCc2[nH]n1	EMOLS-id_335021315,MCULE-3231886866	313.394	OHZRVOAHDZIFEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046167
c1(C(=O)OC)cc2n(CCCN(CC(C)c3ccccc3)C2)n1	PC-id_50963441,MCULE-1456319773,EMOLS-id_32397164	313.394	KCGSGRRKDVKECH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046168
Cc1ccccc1CCC(=O)N1Cc2ccnn2CCC1CO	EMOLS-id_313817903	313.394	ZPRKPQYCMUQBJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046169
Cc1ccccc1CCC(=O)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585098606	313.394	ZPRKPQYCMUQBJE-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046170
Cc1ccccc1CCC(=O)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585098608	313.394	ZPRKPQYCMUQBJE-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046171
Cc1cccc(c1)OCCn1nc2c(c1)C(=O)NCC(C2)(C)C	MCULE-9366156732,EMOLS-id_316446064	313.394	XFDILWHLYQDDRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046172
Cc1ccc(O[C@H](C)C(=O)N2CCCc3c(cnn3C)C2)cc1	CoCoCo_448278,PC-id_92557930,ZINC22_19210880	313.394	REDXPHZLOXTTME-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046173
Cc1ccc(O[C@@H](C)C(=O)N2CCCc3c(cnn3C)C2)cc1	CoCoCo_448279,ZINC22_19210882,PC-id_92557931	313.394	REDXPHZLOXTTME-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046174
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1O)C(C)C	EMOLS-id_319070090	313.394	DQEPUINCDDQMPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046175
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)OC(C)C	EMOLS-id_319860167,MCULE-6352654707	313.394	UFHLMPRTJXWBBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046176
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(ccc1O)C(C)C	MCULE-6693615671,EMOLS-id_319995588	313.394	GVOUITXPWUKNQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046177
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Cc1ccccc1)(O)C	EMOLS-id_319298374	313.394	AQURWFKHVLYFAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046178
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(CCc1ccccc1)O	EMOLS-id_318829657	313.394	UVLQNQHNHGXXKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046179
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCOc1ccccc1	EMOLS-id_319985806,MCULE-2428060288	313.394	LKCSNRWHPRCZOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046180
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCOc1ccccc1C	EMOLS-id_319038222	313.394	FUJSWTIAHMYLGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046181
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1ccc(c(c1)C)C	EMOLS-id_319456361	313.394	BBTQBHVOIRHCJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046182
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Oc1ccccc1)(C)C	EMOLS-id_320146701,MCULE-6764837575	313.394	CQFOFRHBJRRUBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046183
Cc1cnc(c(c1)C)CCNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318659912	313.394	JVPUNVZBJIFUKF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046184
CCc1cccc(c1)OCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319670334	313.394	GSTZSUMVELEQNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046185
CCc1ccccc1OCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320232573,MCULE-2049486589	313.394	YWDSFOFKUVLDON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046186
CCc1ccc(cc1)OCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320234626,MCULE-7638207990	313.394	LNPPWYFYCIWWLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046187
CCC1N(CCCn2c1ncc2)C(=O)Cc1ccc(cc1)OC	EMOLS-id_55717330,MCULE-7444935471	313.394	JVYHGRXPLXLSOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046188
CCC1N(CCCn2c1ncc2)C(=O)Cc1cccc(c1)OC	MCULE-3032826269,EMOLS-id_55717326	313.394	RZUAKGQISDTKNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046189
CCC(c1ccccc1)c1nnc2n1CCC(CC2)C(=O)OC	MCULE-8223776805,PC-id_136557122,EMOLS-id_316951885	313.394	DODANLWLYRTYPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046190
CC(C)(C)c1ccc(NC(=O)N2CCCc3occc3C2)cn1	PC-id_136564592,ZINC22_934844386,MCULE-5306894006,EMOLS-id_316970401	313.394	ZMXATSMQGHARPO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046191
CCCCC(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575404856	313.394	DYWSCBQRGLRCGH-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046192
CCCCC(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575404863	313.394	DYWSCBQRGLRCGH-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046193
CC(C)CC(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575406218	313.394	MNDPYAVFSSWUDE-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046194
CC(C)CC(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575406223	313.394	MNDPYAVFSSWUDE-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046195
CCCCC(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55752119	313.394	DYWSCBQRGLRCGH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046196
CCCC(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_575406656	313.394	ZPCWZIVTHOBGAZ-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046197
CCCC(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_575406657	313.394	ZPCWZIVTHOBGAZ-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046198
CCCC(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_575404247	313.394	LBZUPXNPISFZML-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046199
CCCC(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_575404250	313.394	LBZUPXNPISFZML-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046200
CC(C)C(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_575406310	313.394	WPLNMHHNUGTKSY-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046201
CC(C)C(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_575406311	313.394	WPLNMHHNUGTKSY-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046202
CC(C)C(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_248175415	313.394	VKYRSFQQEOAHFW-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046203
CC(C)C(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_248175418	313.394	VKYRSFQQEOAHFW-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046204
CCCC(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_575404405	313.394	MAPSCJHIBVRKFT-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046205
CCCC(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_575404406	313.394	MAPSCJHIBVRKFT-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046206
CCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)Oc1ccccc1	EMOLS-id_319726626	313.394	QCATXSBNRHYTBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046207
CCCC(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_55751005	313.394	ZPCWZIVTHOBGAZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046208
CCCC(=O)N1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_55750769	313.394	LBZUPXNPISFZML-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046209
CC(C)C(=O)N1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_55750797	313.394	WPLNMHHNUGTKSY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046210
CC(C)C(=O)N1CC(Cn2cccc2C1)OCc1ccncc1	EMOLS-id_50007874	313.394	VKYRSFQQEOAHFW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046211
CCCC(=O)N1CC(Cn2cccc2C1)OCc1ccncc1	EMOLS-id_55751019	313.394	MAPSCJHIBVRKFT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046212
CC[C@@H](c1ccccc1)c1nnc2n1CC[C@H](C(=O)OC)CC2	ZINC22_601043572	313.394	DODANLWLYRTYPF-CABCVRRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-046213
CC[C@@H](c1ccccc1)c1nnc2n1CC[C@@H](C(=O)OC)CC2	ZINC22_601043573	313.394	DODANLWLYRTYPF-GJZGRUSLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046214
CC[C@H](c1ccccc1)c1nnc2n1CC[C@H](C(=O)OC)CC2	ZINC22_601043574	313.394	DODANLWLYRTYPF-HUUCEWRRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046215
CC[C@H](c1ccccc1)c1nnc2n1CC[C@@H](C(=O)OC)CC2	ZINC22_601043575	313.394	DODANLWLYRTYPF-LSDHHAIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046216
CCCOc1cccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318986337	313.394	BRWOCLBXYNYPQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046217
CCCOc1ccccc1NC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_334975481,MCULE-8945507642	313.394	NPMQYFNTXCPSAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046218
CC(C)Oc1ccccc1NC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_334998761,MCULE-1500579595	313.394	HLLZSRDZFZRSJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046219
CC(C)OCc1ncn2c1CN(C(=O)c1ccccc1)CCC2	ZINC22_96259923,PC-id_97520003,EMOLS-id_44371382	313.394	GDVIYADGXMBNBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046220
CCN(C(=O)Cn1c(=O)nc2-c1ccccc2)C1CCCCC1	EMOLS-id_320125760,MCULE-6724564126	313.394	AXVMJRGMYMHFJT-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-046221
CCOc1ccc(cc1)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319439000	313.394	HJTRVIFTIJYAML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046222
CCOc1ccccc1C(=O)N1CCCn2ccnc2C1CC	MCULE-3521673161,EMOLS-id_55717342	313.394	BJXTYVXYHFADHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046223
CCOc1cccc(NC(=O)c2n[nH]c3c2CCCCCC3)c1	PC-id_110089442,BDD-25691820,ZINC22_257263996,MCULE-4739412817	313.394	LSKGOMQKSROJPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046224
CCOC1CN(Cc2ccnn2C1)C(=O)CCc1ccccc1	EMOLS-id_50016640	313.394	AKKPEXPYXDRKNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046225
CCO[C@H]1CN(C(=O)CCc2ccccc2)Cc2ccnn2C1	ZINC22_253380390	313.394	AKKPEXPYXDRKNE-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046226
CCO[C@@H]1CN(C(=O)CCc2ccccc2)Cc2ccnn2C1	ZINC22_253380391	313.394	AKKPEXPYXDRKNE-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046227
Cn1c2c(CCCCC2)c(n1)C(=O)NC(CO)c1ccccc1	PC-id_91104300	313.394	ZMDBEEZNOZDHTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046228
CN(Cc1cccc(c1)NC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_318389729	313.394	YYZHOXYDCOQDOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046229
CN(C(=O)Cn1c(=O)nc2-c1ccccc2)CC1CCCCC1	EMOLS-id_319013307	313.394	MLPXYSZCAFIWHY-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-046230
COc1ccc(c(c1)C)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318840260	313.394	RARPZNKLXOHDQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046231
COc1ccccc1CCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319146952	313.394	OGQIDYQNYKEYCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046232
COc1ccc(cc1)CCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-8863844544,EMOLS-id_319979706	313.394	JIIQFMGMLUYIAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046233
COc1ccc(cc1)CCn1nc2c(c1)C(=O)NCC(C2)(C)C	MCULE-5147035307,EMOLS-id_316472116	313.394	NYJZMSAPLNCLFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046234
COc1ccc(cc1)C(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_318813909	313.394	NVSYBSYWJYOTGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046235
COc1cccc(c1)C(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319722446	313.394	HFBHFZMXAJCARR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046236
COc1cccc(c1)CNC(=O)Cn1cc2c(n1)CCCCC2	CHEMBL1419501,CoCoCo_2192284,PC-id_5308317	313.394	RDRUTHSXNHMOHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046237
COc1ccccc1CNC(=O)Cn1cc2c(n1)CCCCC2	PC-id_20892456,CoCoCo_2192283	313.394	VVECETZERNJZHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046238
COc1ccc(cc1)CNC(=O)Cn1cc2c(n1)CCCCC2	PC-id_5308627,CoCoCo_2192269,CHEMBL1389814	313.394	ZKYLEBUPOQAVNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046239
COc1c(C)cc(cc1C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318923159	313.394	VKIGYGSFMSPOLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046240
COc1ccc(/C=C/CN2CCCn3nc(CO)cc3C2)cc1	EMOLS-id_50525977	313.394	GDZPAYDNAZFZQA-DUXPYHPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046241
COc1ccc(CCNC(=O)c2c3c(CCCCC3)[nH]n2)cc1	EMOLS-id_323250358,MCULE-6800851806	313.394	DTFUMNCOKPBXIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046242
COC1CN(Cc2ccnn2C1)C(=O)CCc1ccccc1C	EMOLS-id_50010196	313.394	VHYWASHJGACQFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046243
COc1nn(c2c1CCCN(C2)C(=O)Cc1ccc(cc1)C)C	PC-id_97404590	313.394	YXBPWKQXJLKAJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046244
COc1nn(C)c2c1CCCN(C(=O)CCc1ccccc1)C2	EMOLS-id_44366628,ZINC22_96254464,PC-id_97515515	313.394	NPYDGIRZIRDTSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046245
COCc1cccc(c1)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319681743	313.394	GBNFQSXCPVOVFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046246
COCC1CCn2cncc2CN1C(=O)Cc1ccc(C)cc1	EMOLS-id_313817382	313.394	VKADWWGRTSJVMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046247
COCC1CCn2nccc2CN1C(=O)Cc1ccc(C)cc1	EMOLS-id_313820709	313.394	WTSYHABYNSXMMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046248
COCCC1CN(Cc2cccn2C1)C(=O)c1cccc(C)n1	EMOLS-id_313837865	313.394	ATMMXBNXCOHFKC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046249
COCCC1CN(Cc2cccn2C1)C(=O)c1ccc(C)cn1	EMOLS-id_313838630	313.394	BDPDYOHOOKVLDB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046250
COCC[C@@H]1CN(C(=O)c2cccc(C)n2)Cc2cccn2C1	ZINC22_585095035	313.394	ATMMXBNXCOHFKC-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046251
COCC[C@H]1CN(C(=O)c2cccc(C)n2)Cc2cccn2C1	ZINC22_585095036	313.394	ATMMXBNXCOHFKC-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046252
COCC[C@@H]1CN(C(=O)c2ccc(C)cn2)Cc2cccn2C1	ZINC22_585095047	313.394	BDPDYOHOOKVLDB-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046253
COCC[C@H]1CN(C(=O)c2ccc(C)cn2)Cc2cccn2C1	ZINC22_585095048	313.394	BDPDYOHOOKVLDB-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046254
COC[C@@H]1CCn2cncc2CN1C(=O)Cc1ccc(C)cc1	ZINC22_585098164	313.394	VKADWWGRTSJVMH-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046255
COC[C@H]1CCn2cncc2CN1C(=O)Cc1ccc(C)cc1	ZINC22_585098165	313.394	VKADWWGRTSJVMH-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046256
COC[C@@H]1CCn2nccc2CN1C(=O)Cc1ccc(C)cc1	ZINC22_585098362	313.394	WTSYHABYNSXMMH-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046257
COC[C@H]1CCn2nccc2CN1C(=O)Cc1ccc(C)cc1	ZINC22_585098364	313.394	WTSYHABYNSXMMH-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046258
COC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)(c1ccccc1)C	MCULE-8435288668,EMOLS-id_320111916	313.394	AXGTXMNJQUGCDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046259
COC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)Cc1ccccc1	EMOLS-id_319544212	313.394	KHEBODNNIDFJGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046260
CO[C@H]1CN(C(=O)CCc2ccccc2C)Cc2ccnn2C1	ZINC22_248170186	313.394	VHYWASHJGACQFA-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046261
CCCC(c1cc(c2-c1ccc(cc2)C(C)C)C(=O)OC)NC	PC-id_67895509,SCHEMBL9628894	313.434	JAKQLIHULWMYGD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046555
CO[C@@H]1CN(C(=O)CCc2ccccc2C)Cc2ccnn2C1	ZINC22_248170188	313.394	VHYWASHJGACQFA-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046262
COC(=O)c1cc2n(n1)CCCN(C[C@@H](C)c1ccccc1)C2	PC-id_95127572,ZINC22_65404431	313.394	KCGSGRRKDVKECH-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046263
COC(=O)c1cc2n(n1)CCCN(C[C@H](C)c1ccccc1)C2	ZINC22_65404430,PC-id_95127571	313.394	KCGSGRRKDVKECH-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046264
COC(=O)C1CCc2n(CC1)c(nn2)CCCc1ccccc1	MCULE-3768405534,PC-id_136557149,EMOLS-id_316950607	313.394	RMDAGKPEZAVJDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046265
COC(=O)c1ccc(cc1)CC1CCCCCc2c1nnn2C	SCHEMBL16984256,PC-id_118287910	313.394	KFPNUZJZJVMOCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046266
COC(=O)[C@H]1CCc2nnc(CCCc3ccccc3)n2CC1	ZINC22_601044834	313.394	RMDAGKPEZAVJDS-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046267
COC(=O)[C@@H]1CCc2nnc(CCCc3ccccc3)n2CC1	ZINC22_601044839	313.394	RMDAGKPEZAVJDS-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046268
n1c(CNC(=O)CCc2ccc(cc2)O)c2c(CCCCC2)[nH]1	ZINC22_215830231,PC-id_77089389,EMOLS-id_49885313,MCULE-4824349310	313.394	KVJAXAYWHDGERJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046269
n1n2CCCN(CC=Cc3ccccc3)Cc2cc1C(CO)O	MCULE-1236897702,PC-id_90649905	313.394	PIPQBQXGZWFUOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046270
Oc1ccc(c(c1)C)CC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319191828	313.394	WHAQBNKMPQTRKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046271
Oc1cccc(c1)CCC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319517597	313.394	NIZISTTTXMFRNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046272
Oc1cccc(c1)C(C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)C	EMOLS-id_258202210,MCULE-4703926310	313.394	OCHDTARJUCEXBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046273
Oc1cccc(c1)C(C(=O)N1CCCc2c(C1)cnn2C)(C)C	EMOLS-id_318952556	313.394	YWWMNMJMVLXYRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046274
Oc1cccc(c1)C(N(C(=O)c1cnc2n1CCCCC2)C)C	EMOLS-id_318507163	313.394	GUMOZGBGFRJPGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046275
Oc1cc(ccc1C(=O)N1CCCc2c(C1)cnn2C)C(C)C	EMOLS-id_101670139	313.394	FQJJLRSTFDTFEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046276
O=C(c1cnn(c1)CC1CCCC1)N1CCCc2c(C1)cco2	EMOLS-id_320126506,MCULE-7477898099	313.394	YJJMBVXLCMULGV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-046277
O=C(c1nn(c(c1)C)C(C1CC1)C)N1CCCc2c(C1)cco2	EMOLS-id_99370702	313.394	JQLOHOGLFJTYBB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-046278
OC[C@H](Cc1ccccc1)NC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_323256246,MCULE-2166240686	313.394	VOQINPOIAVCLBQ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046279
OC[C@@H](O)c1cc2n(n1)CCCN(C/C=C/c1ccccc1)C2	PC-id_100050944,ZINC22_220008132	313.394	PIPQBQXGZWFUOO-SBLNNXNXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046280
OC[C@H](O)c1cc2n(n1)CCCN(C/C=C/c1ccccc1)C2	PC-id_100050946,ZINC22_220008193	313.394	PIPQBQXGZWFUOO-PYJQOMOHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046281
O=C(Cn1c(=O)nc2-c1ccccc2)NC1CCCCCCC1	EMOLS-id_319041119	313.394	YMMFCBCREJCSCG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-046282
OCCN(Cc1ccccc1)C(=O)c1n[nH]c2CCCCCc12	MCULE-1236927302,EMOLS-id_334749434	313.394	NYMMWTPOAZDFDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046283
OCC(O)c1cc2CN(C/C=C/c3ccccc3)CCCn2n1	EMOLS-id_50535271	313.394	PIPQBQXGZWFUOO-XBXARRHUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046284
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)c1cc2c(o1)CCCC2	EMOLS-id_319472117	313.394	GWONMNCDFOIKKU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046285
O=C(N1CCc2c(CC1)nc[nH]2)Oc1ccc(cc1)C(C)(C)C	PC-id_142022582	313.394	VPTBVTHEHLUDFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046286
O=C(N1CCCC1c1cccn1C)c1noc2c1CCCCC2	EMOLS-id_111824431	313.394	GLGDYBWBWQVRHJ-UHFFFAOYSA-N	00000010110000000101100000000010000000000000000000000000	31-01-046287
O=C(N1CCCc2c(C1)cco2)NCc1cccc(c1)N(C)C	EMOLS-id_318694411	313.394	OWNQNNFNQXARJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046288
O=C(N1CCCc2c(C1)cco2)NCC(c1ccccn1)(C)C	EMOLS-id_318692430	313.394	DXSYATGAGFUOSI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046289
O=C(N1CCCc2c(C1)cco2)NCC(c1cccnc1)(C)C	EMOLS-id_318535984	313.394	GYTMVONBYHSGNT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046290
O=C(N1CCCc2c(C1)cco2)NCC(c1ccncc1)(C)C	EMOLS-id_318490979	313.394	VHESODFPVAEYTG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046291
O=C(Nc1cccc(CCO)c1)c1n[nH]c2c1CCCCCC2	MCULE-5832067093,ZINC22_257231311,BDD-25691821,PC-id_110089443	313.394	GGDFAIODYWCZJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046292
O(C(=O)N1CCCc2[nH]cnc2CC1)CCCc1ccccc1	PC-id_20803073	313.394	XKTDHBZRIOCMCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046293
OCc1ncn2CCCN(Cc12)S(=O)(=O)c1cccs1	EMOLS-id_44371362,PC-id_97519992,ZINC22_96259912	313.396	CVYZXCAYHUMTFF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-046294
c1ccc(CN2CCCn3nnc(COCC4CC4)c3C2)nc1	EMOLS-id_46147989,ZINC22_96058846,PC-id_97381503	313.397	SPEKGJGTWKZHBH-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-046295
c1cc(CN2CCCn3nnc(COCC4CC4)c3C2)ccn1	ZINC22_96058848,EMOLS-id_46147993,PC-id_97381505	313.397	XQFRVEFHMVGYDI-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-046296
c1(C(C)NC(=O)CCc2ccccc2)nnc2CCNCCn12	PC-id_118760322,EMOLS-id_68933244,MCULE-1064420717	313.397	IBCBYIGNUPNQIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046297
c1cc(O[C@@H]2CCN(Cc3nnc4n3CCCCC4)C2)ccn1	EMOLS-id_316030663,ZINC22_330253020,MCULE-7809858158	313.397	AJAIQVMFCGSDTR-OAHLLOKOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-046298
c1(CN(C)c2ncc(c(C)n2)C(=O)C)c2CCCCCc2[nH]n1	EMOLS-id_317383346,MCULE-4625964255,PC-id_135117313,ZINC22_1704330917	313.397	IDTPIUOACWRLMO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-046299
c1cncc(Cc2nnc3n2CCN(C[C@@H]2CCOC2)CC3)c1	ZINC22_72145276,PC-id_95715173	313.397	PJYKZSNTZYBCNO-HNNXBMFYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-046300
c1cncc(Cc2nnc3n2CCN(C[C@H]2CCOC2)CC3)c1	ZINC22_72145277,PC-id_95715174	313.397	PJYKZSNTZYBCNO-OAHLLOKOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-046301
c1cncc(CN2CCCn3nnc(COCC4CC4)c3C2)c1	ZINC22_96058847,PC-id_97381504,EMOLS-id_46147991	313.397	CIGYFEFKMDOXJK-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-046302
c1(CN(C)C(=O)c2ccnc(NC)c2)c2CCCCCc2[nH]n1	PC-id_50949640,ZINC22_67447154,MCULE-5876972197,EMOLS-id_32370870	313.397	JWZDXQGEUQELER-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046303
c1(cnc(nc1C)C)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	MCULE-5631061804,ZINC22_20534650,CoCoCo_1572250,CoCoCo_1572251,PC-id_29022147,EMOLS-id_23832171	313.397	LTCJUNRQGLPLET-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-046304
c1cnc(OC[C@@H]2CCn3nccc3CN2CC2CCC2)cn1	ZINC22_585097247	313.397	JDIUHPIAFILUBP-INIZCTEOSA-N	00001000100000100101000000000010000000000000000000000000	31-01-046305
c1cnc(OC[C@H]2CCn3nccc3CN2CC2CCC2)cn1	ZINC22_585097248	313.397	JDIUHPIAFILUBP-MRXNPFEDSA-N	00001000100000100101000000000010000000000000000000000000	31-01-046306
c1(C(=O)NCc2c3CCCCCc3[nH]n2)cnn2CCCCc12	EMOLS-id_43067891,ZINC22_72128257,PC-id_56884693,MCULE-8098535702	313.397	BYGRDELGBJHIPL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046307
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)c2CCCc2[nH]n1	EMOLS-id_49876802,ZINC22_215426848,MCULE-8332489876,PC-id_77084477	313.397	SYSZNKDRPQYLOO-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-046308
c1(C(=O)NC(CC)c2ccc(cn2)C)nnc2CCCCCn12	EMOLS-id_177434601,MCULE-5147676686	313.397	ISWSSZRBEJTZBK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046309
CC1CCc2c(C1C(=O)N1CCCc3c(C1)cnn3C)c[nH]n2	EMOLS-id_316688869	313.397	JDHSXLCDYWICDH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046310
CC1(C)Cc2c(O1)ccc(c2)CNC1CCn2c(CC1)nnn2	EMOLS-id_318565377,MCULE-7935160328	313.397	HILUCXMNJCZKQQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046311
Cc1ccc(cc1)C(C(=O)NC1CCn2c(CC1)nnn2)(C)C	EMOLS-id_102160363	313.397	OPGHUQOCQJWXIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046312
Cc1ccc(cc1)C(C(=O)NCc1nnc2n1CCCCC2)N	PC-id_120669386,EMOLS-id_302460172,MCULE-7206471761	313.397	MQAQOYXVVKXBCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046313
Cc1ccc(cc1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318380262	313.397	HEOYLGYAQWQYPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046314
Cc1cccc(c1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318626563	313.397	ITOIEDHZQGIQFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046315
Cc1cc(C)c(c(c1)C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319818659,MCULE-2545650819	313.397	IWVRGWSVWDFEQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046316
Cc1cccc(CNC(=O)NCc2nnc3n2CCCCC3)c1	PC-id_45810654,CoCoCo_4790741,ZINC22_40501023,MCULE-8688794062,EMOLS-id_29695163	313.397	OYAHUDYJVLHGRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046317
Cc1ccc(cn1)C(NC(=O)C1CCn2c(CC1)nnc2)(C)C	MCULE-1380277160,EMOLS-id_320125997	313.397	ISMCWKNAEWYKPX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046318
Cc1ccc(c(n1)N(C)C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318735150	313.397	UISKDALLXAHDKC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046319
Cc1ccc(CNC(=O)NCc2nnc3n2CCCCC3)cc1	PC-id_53500348,MCULE-7106252895,EMOLS-id_35698456,ZINC22_45570206	313.397	RLMOJXUZXDASCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046320
Cc1cccc(NC(=O)NCCc2nnc3n2CCCCC3)c1	ZINC22_8709366,EMOLS-id_13445970,CoCoCo_4490665,MCULE-7474722642,PC-id_16609033	313.397	UEWAGOMUXYCIBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046321
Cc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)cn1	ZINC22_585097265	313.397	JMQKBXDAMFFASS-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046322
Cc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)cn1	ZINC22_585097268	313.397	JMQKBXDAMFFASS-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046323
Cc1ccc(C(=O)N2CCc3ncc(CN(C)C)n3CC2)cn1	ZINC22_2055772177,EMOLS-id_313779148	313.397	DIFNYJLFDMTDMX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046324
Cc1ccc(C(=O)NCCc2nnc3CCNCCn23)c(C)c1	EMOLS-id_68898319,PC-id_118759510,ZINC22_299780028,MCULE-9303607898	313.397	QYKLMOOWJMDRIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046325
Cc1cc(nc(n1)C(C)C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318636547	313.397	TXUPKAOZLHHYMV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-046326
C(C1CCOC1)N1CCc2nnc(Cc3cccnc3)n2CC1	PC-id_56901733,EMOLS-id_43135130,MCULE-5338589089	313.397	PJYKZSNTZYBCNO-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-046327
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCc2c(C1)n(C)nc2	EMOLS-id_319928922,MCULE-6375496489	313.397	PTKMVOKPQLTIHR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046328
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCc2n(C1)cc(n2)C	MCULE-4903461087,EMOLS-id_320056331	313.397	WMBXTQILHPLARX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046329
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCc2n(C1)c(C)nc2	EMOLS-id_319083471	313.397	GDKGCBKVZMKASQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046330
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1)NC(C)C	EMOLS-id_319119008	313.397	KWPBCGSIHCBXEC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046331
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccnc1NC(C)C	EMOLS-id_319703902	313.397	WJDBKQUJMFVQQC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046332
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnn1C1CCCC1	MCULE-2373195348,EMOLS-id_319886192	313.397	YVDBYTLBZNCIMO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-046333
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnn1CC1CCC1	EMOLS-id_319114450	313.397	HTMGYMCNIFLJLP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-046334
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn2c(n1)CCC(C2)C	EMOLS-id_319238009	313.397	CHQLLQPQKWRXDZ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046335
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(nc1C)C(C)C	EMOLS-id_319019012	313.397	VEQCDJFVTFRLPS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-046336
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn2c1CC(C)CC2	EMOLS-id_319225790	313.397	SDXVFDOVTWPLGO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046337
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(nc1C1CCC1)C	EMOLS-id_319596934	313.397	OQVMTWONEQLJCN-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-046338
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1)C1CCCC1	EMOLS-id_319952946,MCULE-6564549626	313.397	IPNPEVZVNRDGPD-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-046339
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1n(C)ncc1C1CCC1	EMOLS-id_319664572	313.397	KTPOQBHVFFDCBA-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-046340
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nn(c2c1CCCC2)C	EMOLS-id_319703728	313.397	UCKBREUXXRZPFO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046341
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_318891137	313.397	SZVXFBAWCBHLRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046342
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cnn2c1CCCC2	EMOLS-id_318950170	313.397	HFUGEWSIFFUBOA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046343
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1nc2n(c1)CCCC2	EMOLS-id_319063953	313.397	NHQRGWMFEXCFTR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046344
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Cc1cncc(C(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)c1	ZINC22_585098120	313.397	UIKWSQMJFKIGEG-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046346
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CC1(C)Oc2c(C1)cccc2CNC1CCn2c(CC1)nnn2	MCULE-2564718636,EMOLS-id_102026260	313.397	FMRCOGKSCUAABO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046350
Cc1ncc(c(n1)C(C)C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101846377	313.397	KBDRBBRXAGFISI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-046351
Cc1nnc2n1CCC(CC2)NC(=O)NCCc1ccccc1	EMOLS-id_50590221,MCULE-2453971584,PC-id_91910731	313.397	UEGATAGANGUIPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046352
CCc1cccc(c1NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319818358	313.397	PFLUJQQNBMLGBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046353
CCc1ccccc1NC(=O)NCc1cc2CNCCCn2n1	MCULE-4255667373,ZINC22_82147804,PC-id_70775749,EMOLS-id_44448307	313.397	IPOXIBXGBDMSFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046354
CC(c1ccccn1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_98054015	313.397	AQCOOTRHUJYKSI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046355
CC(c1cnn(c1)C1CC1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_320107066,MCULE-3461738527	313.397	FBNRYHJENVVLSK-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-046356
CCCc1ccccc1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318776442	313.397	RREJRZRLKFWZKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046357
CCCc1ccc(cc1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318813385	313.397	WDCCZIBMPQOFOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046358
CCC(c1ccncc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318022810	313.397	LDRXJGRNLMFQQO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046359
CCCC1N(CCCn2ccnc12)C(=O)c1cc([nH]n1)C1CC1	EMOLS-id_55717270,MCULE-7492277742	313.397	VYSANYNTIVOVRH-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-046360
CC(C)C1N(CCCn2ccnc12)C(=O)c1cc([nH]n1)C1CC1	MCULE-4953533456,EMOLS-id_97030559	313.397	LBQFQUUCMLSACG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-046361
CC[C@@H](NC(=O)c1nnc2n1CCCCC2)c1ccc(C)cn1	ZINC22_584894169	313.397	ISWSSZRBEJTZBK-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046362
CC[C@H](NC(=O)c1nnc2n1CCCCC2)c1ccc(C)cn1	ZINC22_584894170	313.397	ISWSSZRBEJTZBK-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046363
CC(C)N1Cc2ncnn2C[C@@H](C(=O)NCc2ccccc2)C1	ZINC22_306128873	313.397	HNINMWBDYTWAPL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046364
CC(C)N1Cc2ncnn2C[C@H](C(=O)NCc2ccccc2)C1	ZINC22_306128874	313.397	HNINMWBDYTWAPL-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046365
CCCN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccc1	CoCoCo_1117211,CoCoCo_1117212,PC-id_42211017	313.397	MHSCFKQXBGAGIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046366
CC(C)N1CC(Cn2ncnc2C1)C(=O)NCc1ccccc1	EMOLS-id_55734961	313.397	HNINMWBDYTWAPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046367
CCCNc1ccccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316558394	313.397	AFUJHRFPFAZCSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046368
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCNCC2	ZINC22_299800655	313.397	IBCBYIGNUPNQIX-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046369
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCNCC2	ZINC22_299800659	313.397	IBCBYIGNUPNQIX-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046370
C[C@@H](NC(=O)NCc1nnc2n1CCCCC2)c1ccccc1	CoCoCo_4790769,PC-id_25649575,ZINC22_12985211	313.397	AIOLYVNUZWVGEO-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046371
C[C@H](NC(=O)NCc1nnc2n1CCCCC2)c1ccccc1	ZINC22_12985212,PC-id_25649576,CoCoCo_4790770	313.397	AIOLYVNUZWVGEO-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046372
CCn1cnc2c1CCN(C2)C(=O)c1cnc2n1CCCCC2	MCULE-2859930736,EMOLS-id_320270968	313.397	UXJCDTVLEBOQTQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046373
CCn1nc(cc1C1CC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318771191	313.397	BEOCVJDVCYQJTQ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-046374
CCn1ncc(c1C1CC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320051888,MCULE-4893118278	313.397	ZOMNIUGYOFETJG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-046375
CCn1nc(c(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C1CC1	EMOLS-id_318828699	313.397	UWCLIKLHJXZLKC-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-046376
CCn1nc(cc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C1CC1	EMOLS-id_319181222	313.397	DHJVQRPIWVHBGR-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-046377
CC(Nc1ccc(cn1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_318129042,MCULE-9416278997	313.397	KMSHPXIMBIGRIX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046378
CCNc1cccnc1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319019851	313.397	VBLKGHZCBSNWKE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046379
CC(Nc1ncccc1C(=O)N1CCCc2c(C1)cnn2C)C	MCULE-1673420733,EMOLS-id_318355023	313.397	OXRYDXHOKNIQFN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046380
CC(N(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccn1)C	EMOLS-id_319269679	313.397	YYYZHJCHOBDZDA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046381
CCN(C(=O)C1CCn2c(CC1)nnc2)CCc1ccccn1	EMOLS-id_319608852	313.397	VZBYSANULFXNIE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046382
CCNC(=O)CN1CCc2nnc(Cc3ccccc3)n2CC1	PC-id_91834826,ZINC22_244626723,MCULE-8127234832,EMOLS-id_55647114	313.397	FRKBZWHZUDSETM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046383
CC(NC(=O)N1CCCc2c(C1)cnn2C)Cc1cccnc1	EMOLS-id_318474768	313.397	JBQFJSQNITUFGL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046384
Cn1nc(cc1NC(=O)c1cnc2n1CCCCC2)C1CCC1	EMOLS-id_318564253	313.397	HYOZAOLVJGQSOW-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-046385
CN(c1cccc(c1)CNC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319481227	313.397	QDJXIPZNBODZRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046386
CNc1ccccc1C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318023313,MCULE-5458331467	313.397	QACNZWJBCKIRMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046387
CN(c1ccc(cn1)NCc1cnc2n1CCCCC2)C(=O)C	MCULE-6145762911,EMOLS-id_318524733	313.397	GZUYVKLEEUWSJY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046388
CN(Cc1ccccc1)C(=O)NCc1nnc2n1CCCCC2	MCULE-7294953049,EMOLS-id_27404482,PC-id_40034929,CoCoCo_4790787,ZINC22_32801972	313.397	GVXJFDJJNUPFMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046389
CN(C)c1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1	PC-id_51185245,ZINC22_69648022,EMOLS-id_75969512,MCULE-8791764036	313.397	WLRLIXPOSMIOTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046390
CN(Cc1ccc(nc1)NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_319369670	313.397	MGQLIGRAUATHFB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046391
CN(Cc1ccc(nc1)NC(=O)c1n[nH]c2c1CCCCC2)C	MCULE-1602527620,EMOLS-id_319818647	313.397	VECRQPZMPSHDIA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046392
CN(C)CC1CCn2nccc2CN1C(=O)c1ccc(C)nc1	EMOLS-id_313818669	313.397	JMQKBXDAMFFASS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046393
CN(C)CC1CCn2nccc2CN1C(=O)c1cncc(C)c1	EMOLS-id_313817901	313.397	UIKWSQMJFKIGEG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046394
CN(C(=O)c1n[nH]c2c1CCCCC2)CCNc1ccccn1	EMOLS-id_319990627,MCULE-4599857413	313.397	IUQPTQBZZIKHMG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046395
CN(C(=O)Nc1ccccc1C)Cc1nnc2n1CCCCC2	EMOLS-id_318403743	313.397	PKJPTIIRQVLGKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046396
CN(C(=O)NCc1ccccc1)Cc1nnc2n1CCCCC2	EMOLS-id_318637357	313.397	RYMCABKUTAKRFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046397
C(Oc1cnccn1)C1CCn2nccc2CN1CC1CCC1	EMOLS-id_313822241	313.397	JDIUHPIAFILUBP-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-046398
Nc1ccc(c(c1)C(=O)NCCc1nnc2n1CCCCC2)C	PC-id_120640882	313.397	VVAIJONCBHQUEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046399
Nc1cccc(c1)C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_302184916,MCULE-6689015513,PC-id_119872069	313.397	LJNIPTYLKXASOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046400
NC(c1ccccc1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_302142356,PC-id_119839602,MCULE-7403613277	313.397	IGQDDRCXMSNPKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046401
NCc1ccc(cc1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_120340974,EMOLS-id_301934680,MCULE-5640474398	313.397	XYYAXCUIYTWHLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046402
NC(C(=O)NCc1nnc2n1CCCCC2)Cc1ccccc1	MCULE-9507065332,PC-id_119833812	313.397	GWCZEPSSAZOEPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046403
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COC[C@@]1(C[C@@H]1C)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-5449511029,EMOLS-id_320261897	313.416	AAYDNIGMSSUNMJ-SAQKRVJRSA-N	00100000100000000101000000000010000000000000000000000000	31-01-046503
CS(=O)(=O)CCN1CCCn2nc([C@@H](O)C3CC3)cc2C1	PC-id_100046148,ZINC22_219719057	313.416	QVGDEKJTLGCAJO-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-046504
CS(=O)(=O)CCN1CCCn2nc([C@H](O)C3CC3)cc2C1	PC-id_100046150,ZINC22_219719136	313.416	QVGDEKJTLGCAJO-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-046505
O=S(=O)(Cc1nnc2n1CCCCC2)CCC1CCCO1	EMOLS-id_100839070	313.416	JZTRKGRLZRVCRS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-046506
C1CN(CCc2c1nc(s2)N)C(=O)C1CC1c1ccccc1	SCHEMBL7294801,PC-id_86745243	313.417	AHOKOOZMXYLNMI-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046507
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccnc(c1)C1CC1	EMOLS-id_318916993	313.417	QJHQYAWOBVITIP-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-046508
Cc1nc2c(s1)N(CCCC2)C(=O)c1nccc(c1)C1CC1	EMOLS-id_319237471	313.417	LJKSSCBMCQUJJM-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-046509
Cc1nc(sc1C(C)(C)C)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_319695156	313.417	QPSNYROTVADMCA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-046510
CC(CCc1scc(n1)Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_319757140	313.417	ZHWAMYCLXOPFAT-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-046511
Cn1c(=O)n(Cc2nc3c(s2)CCCCC3)c2ccccc12	ZINC22_2325841316	313.417	OFDRXKBKSVSWJH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046512
COc1cccc(c1)C#CCN1CCc2c(CC1)nc(s2)N	PC-id_19985795,SCHEMBL9870364	313.417	VMBZDFODZLOFHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046513
COc1ccc(cc1)C#CCN1CCc2c(CC1)nc(s2)N	SCHEMBL9872471,PC-id_19985864	313.417	BCLPITCRAOCXAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046514
COc1ccccc1C#CCN1CCc2c(CC1)nc(s2)N	SCHEMBL9873652,PC-id_19985810	313.417	DZHUURCMWTYQBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046515
O=c1n(nc2n1CCCCC2)C[NH+]1C(CCC1)c1ccccc1	PC-id_74485909	313.417	PYHNUGBXPKZFBT-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-046516
O=c1n(nc2n1CCCCC2)C[NH+]1[C@H](CCC1)c1ccccc1	PC-id_25970768	313.417	PYHNUGBXPKZFBT-MRXNPFEDSA-O	00000010100000110101100000000010000000000000000000000000	31-01-046517
O=c1n(nc2n1CCCCC2)C[NH+]1[C@@H](CCC1)c1ccccc1	PC-id_25970772	313.417	PYHNUGBXPKZFBT-INIZCTEOSA-O	00000010100000110101100000000010000000000000000000000000	31-01-046518
O=C(C1(CC1)c1ccccn1)Nc1nc2c(s1)CCCCC2	MCULE-7093836758,EMOLS-id_319977651	313.417	RWFXYKHAYZTTPW-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-046519
O=C(C1CCc2c1nccc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_98783597	313.417	RXMXAJNHDPFWNV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046520
O=C(c1cccnc1C1CC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_99299635	313.417	VKBSTVJLUUHKMG-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-046521
O=C(c1ccnc(c1)C1CC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_99306434	313.417	PWEFEXGIQPVDEU-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-046522
O=C(N1CCCc2c(C1)ccs2)c1ccc(nc1)NC1CC1	EMOLS-id_318187107	313.417	UEAOYXFBTRBDGK-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-046523
O=C(N1CCCCc2c1ccs2)c1ccc(nc1)NC1CC1	EMOLS-id_318166751,MCULE-7029589801	313.417	SWXGHXKBIGCXJB-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-046524
O=C(N1CCCCc2c1sc(n2)C)C1CCc2c1nccc2	MCULE-1291732008,EMOLS-id_320221503	313.417	IIJVNTBXBNGBKP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046525
O=C(N1CCCCc2c1sc(n2)C)[C@@H]1C[C@H]1c1cccnc1	EMOLS-id_319548666	313.417	DBSQTXFGLYMSOF-UONOGXRCSA-N	00100000100000101101100000000010000000000000000000000000	31-01-046526
s1c2CCCCCc2cc1C(=O)NN=C(c1cccnc1)C	PC-id_78620837	313.417	GLHMITVMYKMBHD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046527
s1c2CCCCCc2cc1C(=O)N/N=C(c1cccnc1)/C	PC-id_8159606	313.417	GLHMITVMYKMBHD-UNOMPAQXSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046528
s1c2CCCCCc2cc1C(=O)NN=C(c1ccncc1)C	PC-id_78620835	313.417	AHEXCWWWAFLEBX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046529
s1c2CCCCCc2cc1C(=O)N/N=C(c1ccncc1)/C	PC-id_8159604	313.417	AHEXCWWWAFLEBX-UNOMPAQXSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046530
s1c2CCCCCc2cc1C(=O)NN=C(c1ncccc1)C	PC-id_78620834	313.417	XTFNVNQBQNMHRD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046531
s1c2CCCCCc2cc1C(=O)N/N=C(c1ncccc1)/C	PC-id_8159602	313.417	XTFNVNQBQNMHRD-UNOMPAQXSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046532
CC1CC(C1)(C)CS(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319973877,MCULE-9500863622	313.419	MUXZZBPMXWZDGY-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-046533
C[C@@H]1CCC[C@H]1CS(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_318938173	313.419	NITFJDUBZRTFOT-UBNQGINQSA-N	00000010100000000101000000000010000000000000000000000000	31-01-046534
CN(Cc1nnc2n1CCCCC2)S(=O)(=O)N(C)C1CC1	ZINC22_605577977	313.419	AKSURKXHUIKLIX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-046535
CN(S(=O)(=O)N1CCCn2c(C1)cnn2)C1CCCCC1	EMOLS-id_319094609	313.419	GQNBSONWFNUBCH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-046536
CS(=O)(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	EMOLS-id_50300805,PC-id_51331288,ZINC22_55292390,MCULE-2112920951	313.419	GMSHNOYXDDVHST-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-046537
NS(=O)(=O)C1CCCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_111067447	313.419	IJLWJOZAZNLNFV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-046538
O=S(=O)(CC1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102026692	313.419	LWYRBFYGCOEDDE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-046539
O=S(=O)(NC1CCn2c(CC1)nnn2)CCC1CCCC1	EMOLS-id_102028652	313.419	MKBWUMLWVAKBDV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-046540
O=S(=O)(NCc1nnc2n1CCCCC2)N1CCCCC1	MCULE-8041370286,PC-id_71899026,EMOLS-id_45745557,ZINC22_42674983	313.419	KOMYBLHNJLNQBG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-046541
c1ccn(Cc2nnc3n2CCCN(Cc2ccsc2)C3)c1	ZINC22_96259637,PC-id_97519719,EMOLS-id_44370822	313.421	BBIVAJPDJYABJR-UHFFFAOYSA-N	00000000110100000101000000000010000000000000000000000000	31-01-046542
c1csc(CN2Cc3nccn3C[C@H](Cn3cccn3)C2)c1	PC-id_97462972,ZINC22_96188538	313.421	AVQCGJUKLUVHNS-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-046543
c1csc(CN2Cc3nccn3C[C@@H](Cn3cccn3)C2)c1	ZINC22_96188539,PC-id_97462973	313.421	AVQCGJUKLUVHNS-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-046544
c1csc(CN2CCc3ncc(Cn4cccn4)n3CC2)c1	ZINC22_96196931,EMOLS-id_44328791,PC-id_97467075	313.421	SPSAMEYVYALYCU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-046545
c1csc(CN2CCc3nnc(Cn4cccc4)n3CC2)c1	PC-id_97519954,ZINC22_96259873,EMOLS-id_44371286	313.421	XIKBFTCIIRHZRK-UHFFFAOYSA-N	00000000110100000101000000000010000000000000000000000000	31-01-046546
c1csc(CN2CCCn3cnc(Cn4ccnc4)c3C2)c1	PC-id_97519549,ZINC22_96259465,EMOLS-id_44370480	313.421	JFGNOXCGAFSAPR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-046547
c1(SCc2nnc3CCCCCn23)n(C)c2c(cccc2)n1	EMOLS-id_2919711,PC-id_686576,ZINC22_54055,CoCoCo_3727254,MCULE-1055570006,ChEMBL-DNDi_CHEMBL1579343,TIMTEC515,CHEMBL1579343	313.421	JMYALFMQQLLMFD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046548
c1scc(c1)CN1CCc2n(CC1)c(cn2)Cn1cccn1	PC-id_97467077	313.421	ZIZRPSMPOUNKSF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-046549
Cc1ccc2nc(CSc3nnc4n3CCCCC4)cn2c1	MCULE-7347666062,PC-id_7876733,ZINC22_6097196,EMOLS-id_16721408,CoCoCo_3081486	313.421	IFGMTGJJEIUHGQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046550
Cc1cccn2cc(CSc3nnc4n3CCCCC4)nc12	EMOLS-id_3531732,CoCoCo_3081487,ZINC22_6097200,MCULE-3195283343,PC-id_7876734	313.421	HBSSTZNUGWNOJD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046551
C(C1CN(Cc2cccs2)Cc2nccn2C1)n1cccn1	EMOLS-id_44326381	313.421	AVQCGJUKLUVHNS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-046552
Cn1c(CSc2nnc3n2CCCCC3)nc2c1cccc2	PC-id_122136365	313.421	ZIOOQISXDWYUOU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046553
S=c1n(C)c2c(n1Cc1nnc3n1CCCCC3)cccc2	PC-id_51059162,SPECS-id_AT-225/NB53596	313.421	JPZXVJKDPRFVKK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046554
o1c(C(=O)c2c3-c(c(c2)CC)ccccc3)cc2c1c(ccc2)C	PC-id_11088327	314.377	DDELZBJHXNNKAH-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-046816
CNCCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)OC	PC-id_140359338	313.434	CQAPJZWBYVTLQK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046556
NC[C@H](CCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)OC)C	PC-id_15020263,SCHEMBL9628889	313.434	BTAJBRIZRKWCOO-AWEZNQCLSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046557
OC(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)C(C)C	PC-id_102029977	313.434	MVXHHKOCXCDATE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046558
O(C(=O)c1c2-c(c(CCCCCCCCN)c1)ccccc2)C	PC-id_9995726	313.434	LOBHSYKSTQBBES-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046559
O(C(=O)c1c2-c(c(CCCCCN)c1)cccc(c2)C(C)C)C	PC-id_10448306	313.434	JDHPQTVMCMQYNM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046560
O(C(=O)c1c2-c(c(CCCCCN)c1)ccc(C(C)C)cc2)C	PC-id_10245074	313.434	DIRYWKVGPKFRCL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046561
O(C(=O)c1c2-c(c(CCC(CN)C)c1)ccc(C(C)C)cc2)C	PC-id_72743189	313.434	BTAJBRIZRKWCOO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046562
N#Cc1ccc(cc1)Cc1cc2-c(c1C)cc(ccc2C)C(C)C	PC-id_102111795	313.435	BTWPZLBRHPCAIA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-046563
N#Cc1ccc(cc1)Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102111796	313.435	WPOAKZZASWCKAS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-046564
[S+](c1c2-c(cc1)ccccc2)(c1ccccc1)c1ccccc1	PC-id_24822402	313.435	UTNXCYLUGWEQOZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-046565
CC1CCS(=O)(=O)N1C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_319721503	313.436	YDHJPJFDFBIJMP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-046566
CCOC(=O)c1c(NC(=O)CS)sc2c1CCCCC2	PC-id_87894586,SCHEMBL5806460	313.436	MBNDDGYTFRBPIA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-046567
CN(C(=O)c1cc2c(s1)CCCCC2)C1CS(=O)(=O)C1	EMOLS-id_279013529	313.436	NACRLYYSABUXFE-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-046568
O=C(c1cc2c(s1)CCCCC2)NC1CCS(=O)(=O)C1	PC-id_51240339,EMOLS-id_35160378,MCULE-2692029081	313.436	HQVZNYFUFVFXHP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-046569
O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCC2	PC-id_27710477,ZINC22_17636506	313.436	HQVZNYFUFVFXHP-LLVKDONJSA-N	00000010100000000100000000000010000000000000000000000000	31-01-046570
O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCC2	PC-id_27710478,ZINC22_17636508	313.436	HQVZNYFUFVFXHP-NSHDSACASA-N	00000010100000000100000000000010000000000000000000000000	31-01-046571
OC(=O)CSCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_119241881	313.436	BKZABCPZRDSOON-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-046572
c12cncn1CCCN(Cc1ccc(cc1)CCC(C)(C)O)C2	PC-id_70729590,ZINC22_72421432,MCULE-9912273257,EMOLS-id_43099593	313.437	RABUOVQOZJFWOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046573
C/C=CC(=C/C=C)[C@H]1CC(Cn2c(c(c(n2)C)C(=O)C)N1)(C)C	SCHEMBL18867445,PC-id_137203672	313.437	IBCQOSZWWFYLMG-GKWCNAIASA-N	00000000100000000101000000000010000000000000000000000000	31-01-046574
COc1ccc(cc1)Cn1nnc2c1CC(C)CCCC2CC	PC-id_70315815,SCHEMBL8241615	313.437	GQRLHZPZLIAHQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046575
COc1cccc(CC(C)NCc2n[nH]c3CCCCCc23)c1	MCULE-8722304709,PC-id_50968191,EMOLS-id_32406126	313.437	XDMFPGMUZBFBSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046576
COc1cccc(C[C@@H](C)NCc2[nH]nc3c2CCCCC3)c1	PC-id_95202773,ZINC22_67692908	313.437	XDMFPGMUZBFBSQ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046577
COc1cccc(C[C@H](C)NCc2n[nH]c3c2CCCCC3)c1	ZINC22_67692906,PC-id_95202772	313.437	XDMFPGMUZBFBSQ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046578
c1(CN(C)Cc2c3CCCCCc3[nH]n2)cnn(C)c1C1CC1	PC-id_56880538,MCULE-3696273106,EMOLS-id_43211003,ZINC22_71771117	313.44	UNAGXBWXAYEJNH-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-046579
CC(c1ccc(c2-c(c1)c(C)cc2[CH+]/C=C/c1ccccc1)C)C	PC-id_101377981	313.455	SYELNOUKQMRYLJ-DHZHZOJOSA-N	00000010100000110110000000000010000000000000000000000000	31-01-046580
c1(C(=O)NCCc2ccc(cc2)C)csc2CCCCCc12	CoCoCo_2171543,EMOLS-id_16062803,MCULE-7682604859,ChEMBL-DNDi_CHEMBLC760-0958,PC-id_20881851	313.457	FJMZUIDEOCAFLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046581
c1(C(=O)NCCCc2ccccc2)csc2CCCCCc12	EMOLS-id_16062779,PC-id_20881841,MCULE-4823457629,CoCoCo_2171528	313.457	DIPNNOIAUJJIAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046582
c1(C(=O)NCC(C)c2ccccc2)csc2CCCCCc12	MCULE-5114215310,EMOLS-id_16062823,PC-id_16010568,CHEMBL1437146	313.457	HUHOQXOXFOHWRA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046583
c1(csc2CCCCCc12)C(=O)Nc1c(CC)cccc1C	PC-id_20881856,EMOLS-id_16062815,MCULE-8344767966,CoCoCo_2171548	313.457	LNQJQUMIVKGLCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046584
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C[C@@H](c1ccccc1)CNC(=O)c1csc2c1CCCCC2	CoCoCo_2171553,PC-id_92251983	313.457	HUHOQXOXFOHWRA-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046586
C[C@H](c1ccccc1)CNC(=O)c1csc2c1CCCCC2	CoCoCo_2171554,PC-id_92251982	313.457	HUHOQXOXFOHWRA-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046587
CCOc1ccc/c(=[NH+]/C2CCCCC2)/c2c1c(C)n(c2C)C	CoCoCo_1992208	313.457	MAQYEVIWTIHJKN-FXBPSFAMSA-O	00000000100010000110000000000010000000000000000000000000	31-01-046588
CCOc1ccc/c(=[NH+]C2CCCCC2)/c2c1c(C)n(c2C)C	PC-id_137325738,CoCoCo_1992207	313.457	MAQYEVIWTIHJKN-HEHNFIMWSA-O	00000000100010000110000000000010000000000000000000000000	31-01-046589
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CCC(c1n[nH]c2c1CN(CCC2)S(=O)(=O)C(C)(C)C)C	SCHEMBL19413421	313.459	QHWDQRBGNFWWLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046595
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CC(C(CS(=O)(=O)N1CCCc2c(C1)cnn2C)(C)C)C	EMOLS-id_318916483	313.459	RKNGYJSRLWKAIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046597
CCCNC1CCCCc2c1cnn2CCS(=O)(=O)CC	PC-id_107384507	313.459	VRKLNQXULCKENC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046598
CC/C(=Cc1ccccc1)/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7307451	313.46	CVOZBYIPWNCWOY-WYMLVPIESA-N	00000000100000110101000000000010000000000000000000000000	31-01-046599
CCC(=Cc1ccccc1)CN1CCc2c(CC1)sc(n2)N	PC-id_88125812	313.46	CVOZBYIPWNCWOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046600
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CSC(C(NC(=O)c1cc2c(s1)CCCCC2)C)CO	PC-id_103801302	313.479	CBHMVTJEPNMXAW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-046607
CSCC(NC(=O)c1cc2c(s1)CCCCC2)CCO	PC-id_109889063	313.479	ZGBZOANXYRJFBM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-046608
NC1(CCCCC1)CC1CCS(=O)(=O)c2c(C1)scc2	PC-id_143361901	313.479	AOZRPVCHPGOIIC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-046609
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s1c2CCCCCCCCCCc2nc1SCC(=O)O	PC-id_64308713	313.479	GAAFAMDNWAGUPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046611
CC(Cc1nc2=CCC=C(CC=c2n1C[C@@H]1CCCNC1)C)C	PC-id_143663052	313.48	ZPQDBHAFRPJDNX-QGZVFWFLSA-N	00000000100010000111000000000010000000000000000000000000	31-01-046612
NC(c1cccc2c1scc2)c1cc2c(s1)CCCCC2	PC-id_105022092	313.48	MDYPECGHCOJBTA-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-046613
NCCCn1cc(c2c1C(=C(C)CCC=C2)C)C(NC1CC1)C	PC-id_118457662,SCHEMBL17188981	313.48	QHKHIGDVCLGOET-UHFFFAOYSA-N	00100000100000000110000000000010000000000000000000000000	31-01-046614
s1c2c(CCCCC2)cc1C(N)c1c2c(sc1)cccc2	PC-id_43464638	313.48	OUGKMLLAMLPNBV-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-046615
CSCC[C@@H](C(=O)Nc1sc2c(n1)CCCCCC2)N	PC-id_119300557,EMOLS-id_301461296,MCULE-1443231184	313.482	QCOFXKAOEBMOAP-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-046616
CSCC(N(C(=O)Nc1nc2c(s1)CCCCC2)C)C	PC-id_102557664	313.482	SUDMVDOOVQCPEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046617
S(CC1(CCOCC1)CS)c1n2CCCCCc2nn1	PC-id_80040493	313.482	FVQINEPOSZWRMI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-046618
ClC(Cl)(Cl)C(=O)c1n2CCCN(P)Cc2cc1	PC-id_20790291,SCHEMBL14525198	313.548	YTKBTHNQWOGJEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046619
c1(sc2c(CCCCC2)n1)NC(=O)C(Cl)(Cl)Cl	EMOLS-id_334604668,MCULE-3108975998	313.631	MXRLNVOZXPTJEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046620
Clc1ccc(C(=O)c2n3c(CCCCC3)c(c2N)C#N)cc1	PC-id_23856937	313.781	BLOGVAHTOLTWKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046621
Cl/C=C/C=CC(=C/C=CC)c1nc2c(o1)C=CC(C=C2)(C)C	PC-id_142555417	313.821	UWOYNSAMWLHBMV-KSMZAHMYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-046622
Clc1cnc(s1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319360029	313.826	ZQCCSOYJZDTOPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046623
ClCC1COCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_116446563	313.843	YMSUOPMDGRCASM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-046624
ClCC1OCCN(C1)C(=O)c1sc2c(CCCCC2)c1	PC-id_81209874	313.843	QPRPKBGPOZLSBF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-046625
ClCCCCN1CCCc2c(C1=O)cc(s2)C(=O)CC	SCHEMBL9040158,PC-id_19881029	313.843	HDESIVRVVFILIK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-046626
Cl/C(=C(c1ccccc1)/C#N)/c1sc2CCCCCc2c1	PC-id_63398991	313.844	HFPOQTTXFJADQB-SDXDJHTJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046627
ClC(=C(c1ccccc1)C#N)c1sc2CCCCCc2c1	PC-id_76995958	313.844	HFPOQTTXFJADQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046628
CC(CC(CNC(=O)c1cc2c(s1)CCCCC2)Cl)C	PC-id_107157512	313.886	FLPGQOKBTNKZPK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-046629
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CC1CCC(=O)c2c(C1)[nH]cc2C(=O)Nc1ccc(cc1)P	PC-id_142026828	314.319	GPPFMEJGWVZDKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046688
OCC1CN(CCC1(F)F)C(=O)c1noc2c1CCCCC2	EMOLS-id_111192010	314.328	FWKNNAVQUHHDRC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-046689
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C1CC(C1)n1c(ccn1)NC(=O)c1coc2c1C(=O)NCCC2	PC-id_136567770	314.339	QOVWXWIWRZFNSA-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-046723
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CCOC(=O)c1sc(c2c1OCCCCO2)C(=O)OCC	PC-id_20726172,SCHEMBL13515134	314.354	NCQXUCAMYKILML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046770
Fc1ccc2c(c1)CCC2NC(=O)c1noc2c1CCCCC2	EMOLS-id_100094928	314.354	PKNHEQWWCDKTLD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046771
Fc1ccc(cc1)C1(CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100121970	314.354	DIXJCOXHSGNJGY-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046772
Fc1cccc(c1)C1CC1NC(=O)c1noc2c1CCCCC2	EMOLS-id_303350325	314.354	AICJDAGFEASVNI-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046773
Fc1cccc(c1)[C@@H]1C[C@H]1NC(=O)c1noc2c1CCCCC2	EMOLS-id_99946662	314.354	AICJDAGFEASVNI-LSDHHAIUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046774
Fc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)c1noc2c1CCCCC2	EMOLS-id_99961095	314.354	OPRYKCOUFJYKCJ-LSDHHAIUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046775
O=C(c1noc2c1CCCCC2)NC1(CC1)c1ccccc1F	EMOLS-id_100991365	314.354	LXGMWISSEPKOSJ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046776
O=C(NC1(c2cccc(F)c2)CC1)c1noc2c1CCCCC2	EMOLS-id_101012780,ZINC22_154198304	314.354	QYEBYOBGLBFONW-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046777
OC(=O)Cc1c2CC=CC(=Cn2c(c1C)CC1NC=CC=C1)F	PC-id_143784472	314.354	UIHUXOZUOMWJHX-UHFFFAOYSA-N	00000000100011000110000000000010000000000000000000000000	31-01-046778
CCOC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(=O)C	SCHEMBL18353350	314.357	RYBAAKAMOMNWMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046779
Fc1cccc(c1)C1(CC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319858770	314.357	NOMBEEARSJFORC-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-046780
Fc1ccc(cc1)C1CCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_324062074,MCULE-8159844136,PC-id_145910340	314.357	OAHJFBWETYRLSG-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-046781
O=C(c1noc2c1CCCCC2)NS(=O)(=O)C1CCOC1	EMOLS-id_112072627	314.357	VLCXXBGKNGOCLT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-046782
O=C([C@H]1CCc2nncn2CC1)N1CC[C@@H]1c1ccc(F)cc1	ZINC22_880674438	314.357	OAHJFBWETYRLSG-DZGCQCFKSA-N	00001000100000110101100000000010000000000000000000000000	31-01-046783
O=C([C@@H]1CCc2nncn2CC1)N1CC[C@H]1c1ccc(F)cc1	ZINC22_880674439	314.357	OAHJFBWETYRLSG-HIFRSBDPSA-N	00001000100000110101100000000010000000000000000000000000	31-01-046784
O=C([C@@H]1CCc2nncn2CC1)N1CC[C@@H]1c1ccc(F)cc1	ZINC22_880674441	314.357	OAHJFBWETYRLSG-UKRRQHHQSA-N	00001000100000110101100000000010000000000000000000000000	31-01-046785
O=C([C@H]1CCc2nncn2CC1)N1CC[C@H]1c1ccc(F)cc1	ZINC22_880674443	314.357	OAHJFBWETYRLSG-ZFWWWQNUSA-N	00001000100000110101100000000010000000000000000000000000	31-01-046786
S(=O)(=O)(Nn1c2-c(cc1=O)ccccc2)c1ccc(cc1)C	PC-id_15743692	314.359	LGIMZVQSUHRNQI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-046787
O=C(c1cccc2ncsc12)N1CCc2[nH]nc(O)c2CC1	EMOLS-id_337811028,ZINC22_2356157794	314.362	QYVSIVDWUQYZDD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046788
O=C(c1ccn2c(c1)n[nH]c2=O)N1CCCc2c(C1)ccs2	MCULE-6588350133,EMOLS-id_320113254	314.362	OCASZMZSBZMIMX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046789
O=C(c1noc2c1CCCCC2)Nc1sc2c(n1)cccn2	MCULE-8051798688,EMOLS-id_320152107	314.362	MIAJSOOMAXVZJI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046790
c1(sc2c(CCCCC2)n1)NC(=O)c1ccn2c(nnn2)c1	MCULE-4613492416,EMOLS-id_323272269	314.366	YOKULASENPLJLV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046791
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(n1)nn[nH]2	EMOLS-id_318963067	314.366	BMWFKMAYJPEOAO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046792
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccn2c1nnn2	EMOLS-id_318927695	314.366	ZMCCBWIYGDLFPV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046793
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccn2c(c1)nnn2	EMOLS-id_319827267	314.366	ZPMJAPGSZDHUQC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046794
Cc1nc2c(s1)N(CCCC2)C(=O)c1ncc2n(c1)cnn2	MCULE-7796361199,EMOLS-id_320092059	314.366	NWGPYGBCNBJFPY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046795
O=C(c1ccc2c(c1)scn2)NC1CCn2c(CC1)nnn2	EMOLS-id_102169982	314.366	HKWFQRWJSLYFDS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046796
O=C(c1cccn2c1nnn2)Nc1nc2c(s1)CCCCC2	EMOLS-id_278262708	314.366	HFLZFRPFIRLCKB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046797
O=C(C1CCn2c(CC1)nnc2)Nc1sc2c(n1)cccn2	EMOLS-id_319965244,MCULE-8875927745	314.366	OINDQJKPTPPPOB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046798
O=C(c1ccnc2c1[nH]nn2)Nc1nc2c(s1)CCCCC2	EMOLS-id_98050291	314.366	HBVQKANEWLLXJN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046799
O=C(c1cnc2c(c1)nn[nH]2)Nc1nc2c(s1)CCCCC2	EMOLS-id_99469686	314.366	KPDKVMAGDUGVQX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-046800
O=C(N1CCCc2c(C1)c[nH]n2)c1csc(n1)c1cnc[nH]1	MCULE-8827041623,EMOLS-id_319983731	314.366	QLTZLPMKVIZUJI-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-046801
c12-c(c(cc(cc1C)C)C)c(cc2C(=O)OCC)C(=O)OCC	SPECS-id_AO-840/42717931,ZINC22_384109,MCULE-7430840799,PC-id_849574,EMOLS-id_22049531,CoCoCo_6967744	314.376	BKXQPVPFNODCNO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046802
CCCc1cc(c2-c1ccc(cc2)CC(=O)OC)C(=O)OCC	PC-id_141580520	314.376	CUKMRHIUDYXXQA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046803
CCCCCc1cc(c2-c1cc(ccc2)C(=O)O)C(=O)OCC	PC-id_141580624	314.376	AGJZUVHNLQHQFC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046804
CCOC(=O)c1cc(c2-c1cccc(c2)C(=O)O)CCC(C)C	PC-id_141580623	314.376	INXGUCOYKFOJFC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046805
O=C(C[C@](c1ccc2-c1ccccc2)(C(=O)O)C)OC(C)(C)C	PC-id_139765969	314.376	AYGPXILFUZILAF-LJQANCHMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046806
O(C(C)(C)C)C(=O)CC(Cc1c2-c(cc1)ccccc2)C(=O)O	PC-id_19606542	314.376	HFGKMYGEQADITI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046807
O(C(C)(C)C)C(=O)C[C@@H](Cc1c2-c(cc1)ccccc2)C(=O)O	PC-id_15432212,SCHEMBL8484378	314.376	HFGKMYGEQADITI-OAHLLOKOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046808
O(C(=O)c1c2-c(c(cc(cc2C)C)C)cc1C(=O)OCC)CC	PC-id_13860791	314.376	XFJSQCHATHHQNU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046809
O(C(=O)c1c2-c(c(cc(CCC)cc2C)C)cc1C(=O)OC)C	PC-id_85673200	314.376	XODOZTNXCZFFEZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046810
OC(=O)CC(c1cc(c2-c1c(C)ccc(c2)C(C)C)C)C(=O)O	PC-id_110174507	314.376	ZUXGUJVBDZKVQG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-046811
c1(NC(=O)c2ccccc2F)sc2c(CCCCC2)c1C#N	CoCoCo_3268387,ZINC22_4313371,TIMTEC65755,MCULE-3168319613,PC-id_4518350,EMOLS-id_3063488	314.377	AXGJPFFADGJBAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046812
c1(NC(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C#N	TIMTEC193511,MCULE-2678433322,ZINC22_37385,CoCoCo_6781270,SPECS-id_AK-968/12117219,PC-id_674789,EMOLS-id_1094710,STOCK1S-86131	314.377	HJURKNCISLEHHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046813
c1(NC(=O)c2cccc(F)c2)sc2c(CCCCC2)c1C#N	EMOLS-id_1094650,CoCoCo_5817349,PC-id_903396,MCULE-4806164685,ZINC22_483548,TIMTEC377681,SPECS-id_AK-968/12117409	314.377	PGZFMQILTHBAIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046814
o1c(C(=O)c2c3-c(c(c2)CC)ccccc3)cc2c1ccc(c2)C	PC-id_11045257	314.377	NEKLJCQPISYPHU-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-046815
c1(C(=O)c2ccc(cc2)OCCC)n(O)c2c(CCCCC2)n1	EMOLS-id_2262173,CHEMBL1392626,CoCoCo_974882,MCULE-9639799679,ZINC22_2845867,PC-id_2950434,ChEMBL-DNDi_CHEMBL6970-0053,Chemmine_15549	314.379	NIQJRWZBOSXALM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046819
CCc1cc2n(c1C(=O)c1cccn1C)CCCCC2C(=O)O	SCHEMBL11203607,PC-id_70536821	314.379	BCZDWEUFKYZJIU-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-046820
CCCc1cc2n(c1C(=O)c1ccc[nH]1)CCCCC2C(=O)O	SCHEMBL11202048,PC-id_70536314	314.379	ZVKFEGAHLZWBMM-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-046821
CC(Cc1nc(O)cc(c1)C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_318394790	314.379	RRSLVWXZWQBHRY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046822
CC(C)COc1ncccc1C(=O)N1CCCc2occc2C1	EMOLS-id_177245575,ZINC22_585083974,MCULE-7483940936	314.379	IJDLHXUQJPLLBW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046823
CCCn1cccc1C(=O)c1ccc2n1CCCCC2C(=O)O	PC-id_70536002,SCHEMBL11201069	314.379	FVENYOGKRYIJTH-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-046824
CCn1cccc1C(=O)c1c(C)cc2n1CCCCC2C(=O)O	PC-id_70535044,SCHEMBL11197806	314.379	YIWXZBZJYKYEKU-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-046825
CCOC(=O)C1CCCCn2c1ccc2C(=O)c1cccn1C	PC-id_70535014,SCHEMBL11197699	314.379	JJEKNRYUWCWTFB-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-046826
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1[nH]ccc1)C	SCHEMBL11195326,PC-id_70534433	314.379	DWLTVUBRLREBCF-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-046827
CCOC(=O)Oc1[nH]c2c(c1Nc1ccccc1)CCCCC2	PC-id_21693268,SCHEMBL9858276	314.379	AUSMZUMSZWHROQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046828
COc1ccc(c(c1)C)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318463914	314.379	VAVCFSDKEIOVGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046829
COc1ccc(cc1C)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318549269	314.379	XUGBZJNNAWQNBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046830
COc1cccc(c1C)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318735444	314.379	FNOMPCDOIKJJMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046831
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCOC2C(C)C	PC-id_66667492,SCHEMBL366177	314.379	VQCYYHQDFKNFNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046832
COc1ccc(cc1CNC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_318680986	314.379	FEXZLTGBRLZZMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046833
COc1cc(C)ccc1CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318484083	314.379	FEYNJGVHQSJCLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046834
COc1cc(CNC(=O)N2CCCc3c(C2)cco3)cc(c1)C	EMOLS-id_318436345	314.379	NBBALZFTMAXCTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046835
COc1cc(CNC(=O)N2CCCc3c(C2)cco3)ccc1C	EMOLS-id_318471273	314.379	RMNWYEMMTCAMOT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046836
COC(c1ccccc1)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318559847	314.379	BQQVQFWDFNSOOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046837
COCCc1ccccc1NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318401149	314.379	QBRZTYOFBLPZAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-046838
o1n(c2CCCCCc2c1=O)C(=O)NCc1cc(c(cc1)C)C	SCHEMBL13303474,PC-id_59370582	314.379	RYTTYEIAROGDQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046839
O=C1N(Cc2n(CC1)ccc2)CCc1cc(OC)c(OC)cc1	PC-id_73443001	314.379	JHPMEVRDOVRCPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046840
O=C(c1noc2c1CCCCC2)Nc1cc(C)c(c(c1C)C)O	EMOLS-id_111936223	314.379	QEMJPWZWSIINSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046841
O=C(N1CC(C1c1ccco1)(C)C)c1noc2c1CCCCC2	EMOLS-id_316664156	314.379	WRBWPXNWHWCZTD-UHFFFAOYSA-N	00001000101000000101100000000010000000000000000000000000	31-01-046842
O=C(N1CCCc2c(C1)cco2)c1ccc(o1)CN1CCCC1	EMOLS-id_318956859	314.379	VGTMJMZSELUOEU-UHFFFAOYSA-N	00000010101000000100000000000010000000000000000000000000	31-01-046843
s1c2c(CCCCC2)c(c1NC(=O)c1ccccc1)C(=O)[O-]	PC-id_3360546	314.379	QDYMHZHYDQJVLN-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-046844
s1c2c(CCCCC2)c(c1NS(=O)(=O)CC(=O)O)C#N	PC-id_43362171	314.381	FPXRKQUSIUBCIR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-046845
c12CCN(CCc1[nH][nH]c2=O)C(=O)Nc1ccccc1C(C)C	PC-id_118765073,MCULE-2362898539,ZINC22_299768621,EMOLS-id_68879068	314.382	LKKJAZHRWXSOFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046846
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1cccc(C)n1	EMOLS-id_43174544,ZINC22_72479033,MCULE-2020867729,PC-id_56915124	314.382	ISSSUVFAMJRMMS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046847
C1Cc2nncn2CCC1C(=O)NCc1ccc(cc1)CCO	EMOLS-id_316994252,MCULE-4592714508,PC-id_136567954	314.382	CLUVXOQGJULJBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046848
c1(CN(C)Cc2ncccc2C(=O)O)c2CCCCCc2[nH]n1	MCULE-6270202210,EMOLS-id_32433550,ZINC22_67965831,PC-id_50982761	314.382	BQWAAPMJQZERCF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046849
c1(C(=O)NCc2c3CCCCCc3[nH]n2)onc2CCCCc12	MCULE-6745205541,ZINC22_670452722,EMOLS-id_222770822	314.382	BOIMLMNDPIODFR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046850
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Cc1cccc(C)c1NC(=O)Cn1nc2CCCCCn2c1=O	SPECS-id_AT-687/NB01950,EMOLS-id_44013863,MCULE-5270084167,PC-id_17443135,ZINC22_24002361,CoCoCo_4406366	314.382	AGTTWGAHGZRUNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046852
Cc1ccc(C)c(CNC(=O)C2CCc3n[nH]c(=O)n3CC2)c1	MCULE-4774076066,EMOLS-id_207876596	314.382	WDVNTMOGCKVGGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046853
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Cc1cccc(NC(=O)Cn2nc3CCCCCn3c2=O)c1C	SPECS-id_AT-687/NB01962,EMOLS-id_24116657,ZINC22_12910047,CoCoCo_4406360,PC-id_25596117,MCULE-3084050398	314.382	XBLPDUOQDXWDRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046857
Cc1ccc(CNC(=O)Cn2nc3CCCCCn3c2=O)cc1	MCULE-9893018875,EMOLS-id_48461801	314.382	AVGYUUNWZNZUKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046858
Cc1ccc(NC(=O)Cn2nc3CCCCCn3c2=O)c(C)c1	ZINC22_29107495,PC-id_36282082,SPECS-id_AT-687/NB01995,EMOLS-id_48463981,MCULE-4002829306	314.382	UMNLRFDOBWEOMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046859
CC1CN(Cc2c(C1)[nH]nc2)CC(c1ccccc1)(C(=O)N)O	EMOLS-id_319401193	314.382	ZSTOLUCDDMFTAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046860
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc(c1)OC(C)C	MCULE-1075443762,EMOLS-id_320122328	314.382	JMBYDVXRUAVXQF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046861
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncc(c1)OC(C)C	EMOLS-id_318861196	314.382	NBQFOYGBEHBDQJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046862
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1noc2c1CCCCC2	EMOLS-id_318892421	314.382	NLCFOALKIOGNGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046863
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCn1ccccc1=O	EMOLS-id_318789356	314.382	BIVHHWBJBZJHNA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046864
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(OCc1ccncc1)C	EMOLS-id_318862835	314.382	SNOIWDLKJBNATE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046865
Cc1c[nH]c(n1)C1(CCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_320059146,MCULE-1288934813	314.382	OGSYHXKXCWWUKT-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-046866
CC(c1ccc2c(c1)OCO2)NCc1nnc2n1CCCCC2	EMOLS-id_318290108,MCULE-7136787072	314.382	KIPZDADYBGGRAO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046867
CC(c1cccc2c1OCO2)NCc1nnc2n1CCCCC2	MCULE-9881446422,EMOLS-id_318605749	314.382	BMANLABHPXUQRG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046868
CCc1ccc(cc1)NC(=O)C1CCCCc2n1c(=O)n(n2)C	EMOLS-id_207869454	314.382	MKLYTAAAYNHNIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046869
CCc1cccc(NC(=O)Cn2nc3CCCCCn3c2=O)c1	SPECS-id_AT-687/NB01953,PC-id_36283287,ZINC22_29108693,EMOLS-id_48461831,MCULE-5070383173	314.382	PDKWQYIAIRHUSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046870
CCc1ccc(NC(=O)Cn2nc3CCCCCn3c2=O)cc1	MCULE-5640168363,ZINC22_29108304,EMOLS-id_48461811,SPECS-id_AT-687/NB01928,PC-id_36282892	314.382	IGDONDWUQDCRGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046871
CC(C1N(CCCn2c1ncc2)C(=O)c1ccc(nc1O)C)C	EMOLS-id_55717382,MCULE-8325867587	314.382	XHRAGVCYGSEWIF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046872
CCc1nc(O)c(cc1C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319485787	314.382	GFNARHNMEOKPBS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046873
CCc1nc(OC)ccc1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_316960461,MCULE-2085279809,PC-id_136567135,ZINC22_1615617814	314.382	LOBCNRCHZNDOMS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046874
CC(c1nnc2n1CCCCC2)NCc1cccc2c1OCO2	PC-id_56795874,MCULE-3168890654	314.382	JNJSDMPMVBMOGE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046875
CC(c1nnc2n1CCN(CC2)Cc1ccc2c(c1)OCO2)C	PC-id_42238927,CoCoCo_1243919,CoCoCo_1243920	314.382	VEFIFAHXIAPRQR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046876
CC(C)c1ccccc1OCC(=O)N1CCCn2nncc2C1	ZINC22_1774150678	314.382	RMHJXNCTDWPXEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046877
CCCc1cc(cc(=O)[nH]1)C(=O)N1CCCc2c(C1)cnn2C	MCULE-1257473222,PC-id_136565390,EMOLS-id_317732519	314.382	ZPLAARCKNDKARH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046878
CCCC1N(CCCn2ccnc12)C(=O)c1ccc(OC)nc1	EMOLS-id_55717290,MCULE-7991361116	314.382	NYLNGXQRUCNKFV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046879
O=C(c1cocc1)N1CCCn2c(C1)c(nc2)CN1CCCC1	PC-id_97405455	314.382	XEIFDGBEUPGAJM-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047027
C=C/C=C(c1cc(n2c1CC(=O)CCCC2)C(=O)NC(=N)N)/C	PC-id_145818544	314.382	FGQDZAYCEJAIDS-WDZFZDKYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-046880
CC(CN1CCc2nncn2CC1)Cc1ccc2OCOc2c1	MCULE-2433303319,EMOLS-id_20688799,PC-id_45237795	314.382	YLNYHVNSAKOLCM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046881
CCCOc1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-3499707184,EMOLS-id_319991827	314.382	GLFZQTVLYWIQPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046882
CC(C)OCc1ncn2c1CN(C(=O)c1ccccn1)CCC2	EMOLS-id_46183091,PC-id_97405854,ZINC22_96085036	314.382	FRWXAADGVJOAPL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046883
C=CCOC[C@@H]1CN(C(=O)c2cccn2C)Cc2nccn2C1	PC-id_97462291,ZINC22_96187840	314.382	VJZXHSVDQZALJN-AWEZNQCLSA-N	00000000110000000101000000000010000000000000000000000000	31-01-046884
C=CCOC[C@H]1CN(C(=O)c2cccn2C)Cc2nccn2C1	PC-id_97462292,ZINC22_96187841	314.382	VJZXHSVDQZALJN-CQSZACIVSA-N	00000000110000000101000000000010000000000000000000000000	31-01-046885
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nncn2CC1	CoCoCo_1553277,CoCoCo_1553275,ZINC22_12510841	314.382	YLNYHVNSAKOLCM-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046886
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nncn2CC1	ZINC22_12510846,CoCoCo_1553276,CoCoCo_1553274	314.382	YLNYHVNSAKOLCM-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046887
C[C@@H](NCc1cccc2c1OCO2)c1nnc2n1CCCCC2	PC-id_93910205,ZINC22_42800881	314.382	JNJSDMPMVBMOGE-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046888
C[C@H](NCc1cccc2c1OCO2)c1nnc2n1CCCCC2	ZINC22_42800877,PC-id_93910204	314.382	JNJSDMPMVBMOGE-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046889
C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1ccccc1	ZINC22_12928483,PC-id_25612064,CoCoCo_4406387	314.382	XXZLVPYVVDFSGK-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046890
C[C@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1ccccc1	ZINC22_12928488,PC-id_25612068,CoCoCo_4406386	314.382	XXZLVPYVVDFSGK-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046891
C[C@H](NC(=O)N1CCCc2c(cnn2C)C1)c1cccc(O)c1	MCULE-1663489443,ZINC22_334029846,EMOLS-id_101688122	314.382	KAMLNKGIRMGZLH-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046892
CCN1CCC(CC1)NC(=O)Cn1c(=O)nc2-c1ccccc2	MCULE-4026092798,EMOLS-id_320317527	314.382	ADHRDYGDVCCUFW-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-046893
CCn1cnc2c1CCN(C2)C(=O)c1noc2c1CCCCC2	MCULE-7879007663,EMOLS-id_320176333	314.382	HYGSLESBKHNUED-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046894
CCn1nc2CCC(CCn2c1=O)C(=O)NCc1ccccc1	MCULE-8990805520,EMOLS-id_207876842	314.382	JOMGBWIZPJTXAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046895
CCn1nc(cc1C1CC1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318397386	314.382	YXPYDEPUSWIPDJ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-046896
CC(n1ncc(c1)NC(=O)c1noc2c1CCCCC2)C1CC1	EMOLS-id_100154021	314.382	YPMJLJYTOOVYIO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-046897
CCNc1nccc(c1)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_319152838	314.382	TYAJYUKJYFWUPW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046898
CC(N(C(=O)C1CCn2c(CC1)nnc2)C1CC1)c1ccco1	MCULE-1733395419,EMOLS-id_320277799	314.382	BYICJUKIQHZGKI-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-046899
CCS(=O)(=O)CCCC(=O)c1cc2c(s1)CCCCC2	PC-id_114974569	314.463	QWSUOPCCJRDBAT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-047428
CCN(C(=O)Cn1nc2CCCCCn2c1=O)c1ccccc1	PC-id_75526893,EMOLS-id_48467455,ZINC22_98211234,SPECS-id_AT-687/NB01948,MCULE-3205309431	314.382	LMCDNDYJQQSNTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046900
CCOc1ccc(cc1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319357910	314.382	RHTRAVBFZJIAOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046901
CCOc1cccc(c1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319780751	314.382	KPPBIHQTVVQTMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046902
CCOc1ccccc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318061216	314.382	PEGDEYVCHYXHKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046903
CCOc1cccc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318365848	314.382	XLPFUMPGBFRROL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046904
CCOc1ccc(cc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318369689	314.382	QDIRHCQMZNKTOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046905
CCOc1cc(C)ccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278115315	314.382	UWLUEPZWVSMKTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046906
CCOc1nccc(c1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_318849554	314.382	BIFYGMFODNYPRJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046907
CCOCc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319356980	314.382	PBCJPPHFKZXPMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046908
CCOCC1CN(Cc2cncn2C1)C(=O)Cc1ccccn1	EMOLS-id_49228795	314.382	XHGRCILBMUKAFF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046909
CC(OCc1ncn2c1CN(CCC2)C(=O)c1cccnc1)C	PC-id_97520004	314.382	SLQUPCWKYDQACT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046910
CCOCCC1CN(Cc2cccn2C1)C(=O)c1cnccn1	EMOLS-id_313747893	314.382	DJRAPDZLCZXNFQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-046911
CCOCC[C@@H]1CN(C(=O)c2cnccn2)Cc2cccn2C1	ZINC22_585095085	314.382	DJRAPDZLCZXNFQ-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-046912
CCOCC[C@H]1CN(C(=O)c2cnccn2)Cc2cccn2C1	ZINC22_585095086	314.382	DJRAPDZLCZXNFQ-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-046913
CCOC[C@H]1CN(C(=O)Cc2ccccn2)Cc2cncn2C1	PC-id_97474739,ZINC22_96206577	314.382	XHGRCILBMUKAFF-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046914
CCOC[C@@H]1CN(C(=O)Cc2ccccn2)Cc2cncn2C1	ZINC22_96206578,PC-id_97474740	314.382	XHGRCILBMUKAFF-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046915
CCOCC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	MCULE-9148628385,EMOLS-id_337787721,ZINC22_2356152504	314.382	MIZTWEZNWHFIAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046916
CC(=O)OC(C1CCCC(n2c1nnn2)(C)C)c1ccccc1	SCHEMBL13483017,PC-id_58993003	314.382	SFXFDFZNPBHDIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046917
Cn1cc2c(n1)CCCC2NC(=O)c1noc2c1CCCCC2	EMOLS-id_110294058	314.382	UFAABBNNGIDSPC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-046918
Cn1ccc2c1C(=O)N(CCCCCn1cncc1)CCC2=O	PC-id_20083192,SCHEMBL6992176	314.382	ZNLLEPYXOGGGCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-046919
CN1CCCC1c1n[nH]c(c1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_319554900	314.382	BGJVLULWDOCUCT-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-046920
Cn1cccc1C(=O)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_248117612	314.382	IZJZDYRXIYLGRV-HNNXBMFYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-046921
Cn1cccc1C(=O)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_248117616	314.382	IZJZDYRXIYLGRV-OAHLLOKOSA-N	00100000110000000101000000000010000000000000000000000000	31-01-046922
Cn1cccc1C(=O)N1CC(Cn2nccc2C1)OCC1CC1	EMOLS-id_50008314	314.382	IZJZDYRXIYLGRV-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-046923
Cn1cccc1C(=O)N1CC(COCC=C)Cn2ccnc2C1	EMOLS-id_44325873	314.382	VJZXHSVDQZALJN-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-046924
Cn1nc2CCCCC(C(=O)NCCc3ccccc3)n2c1=O	MCULE-7913156135,EMOLS-id_207869424	314.382	SDRHKWYVWPJJDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046925
Cn1nc2CCN(CCn2c1=O)C(=O)CCCc1ccccc1	EMOLS-id_239629416,MCULE-5847037473	314.382	KUCKIISERHIHTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046926
Cn1ncc(c1)CC1CN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_316495586	314.382	HPRDAEBTXMNHMW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-046927
CN(Cc1cc2CNCCCn2n1)Cc1ccc2OCOc2c1	EMOLS-id_43056016,PC-id_56881784,MCULE-3489379070,ZINC22_72121005	314.382	LPNXOIUFYOCWIQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046928
CN(Cc1cccc2c1OCO2)Cc1nnc2n1CCCCC2	EMOLS-id_319364841	314.382	XNNCIROTVODFQI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-046929
CN(Cc1ccc(nc1)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_319280124	314.382	BUYKBHKIHAYJRF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046930
CN(Cc1ccnc(c1)NC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_318715723	314.382	VKLOJNKKCPANEQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046931
CN(C)c1ncccc1N(C)C(=O)c1noc2c1CCCCC2	MCULE-3492121720,EMOLS-id_317747856,ZINC22_155706487,PC-id_139012575	314.382	IVFCQUUDPLOEFU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046932
CN(Cc1nccc(c1)NC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_318753261	314.382	URTWEIWSQPACCZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-046933
CN(Cc1nnc2n1CCCCC2)[C@H](C(=O)O)c1ccccc1	ZINC22_737495039	314.382	FHNLJBGYALSZME-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046934
CN(Cc1nnc2n1CCCCC2)[C@@H](C(=O)O)c1ccccc1	ZINC22_737495040	314.382	FHNLJBGYALSZME-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046935
CN(C(=O)C1CCn2c(CC1)nnc2)CCOc1ccccc1	MCULE-7833371434,EMOLS-id_320278391	314.382	YIKBOEOUAWXRQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046936
CN(C(=O)c1noc2c1CCCCC2)CCNc1ccccn1	MCULE-7876493447,EMOLS-id_319917080	314.382	FJBZLUMGMPGEGX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046937
CN(C(=O)Cc1ccccc1O)Cc1nnc2n1CCCCC2	EMOLS-id_318543360	314.382	JJGFOUBSOTYAKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046938
COc1ccc(cc1)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319804241	314.382	VTOIZJYBPZVRCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046939
COc1cccc(c1)C(C(=O)N1CCCc2c(C1)cnn2C)N	EMOLS-id_318033855,MCULE-2632917657	314.382	GIDZOXFXCOUJAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046940
COc1ccccc1C(C(=O)N1CCCc2c(C1)cnn2C)N	EMOLS-id_318347869,MCULE-2305600528	314.382	QRTMGELVIVRVOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046941
COc1ccccc1CC(=O)NCc1nnc2n1CCCCC2	EMOLS-id_318426402	314.382	KDCDLXOXVIXSGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046942
COc1ccc(c(c1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101947242	314.382	VPFGFXHIWHBTLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046943
COc1cccc(c1)C(=O)NC(c1nnc2n1CCCCC2)C	MCULE-9901559697,PC-id_53503703,EMOLS-id_35688550	314.382	CHPZBASBJQUPKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046944
COc1ccccc1NCC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318174800,MCULE-7716064910	314.382	UOPHEAKXQFZYGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046945
COc1cccc(c1)NCC(=O)N1CCCc2c(C1)cnn2C	MCULE-2373029088,EMOLS-id_318051670	314.382	WWAUZLSNKTZKEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046946
COc1ccc(cc1)N(C(=O)C1CCn2c(CC1)nnc2)CC	EMOLS-id_278112297	314.382	IPFPIOAQMMSSFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046947
COc1cccc(c1)NC(=O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319015751	314.382	NSGHKWMFZCWLTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046948
COc1ccc(cc1)NC(=O)CN1CC(C)Cc2c(C1)cn[nH]2	MCULE-9857079146,EMOLS-id_320082116	314.382	XFBGIYFSLCWNEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046949
COc1ccc(cc1NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101959126	314.382	CEZMVIYGKDOBSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046950
COc1cccc(CC(=O)NCc2nnc3n2CCCCC3)c1	ZINC22_12758545,CoCoCo_4625725,PC-id_25488870,EMOLS-id_18829333,MCULE-9452580272	314.382	QTVOPCWHIVGOOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046951
COc1ccc(CC(=O)NC2CCc3nnc(C)n3CC2)cc1	MCULE-2921802713,PC-id_91910719,EMOLS-id_50590173	314.382	YTMUVIAHLQVKIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046952
COc1cccc(C(=O)NCCc2nnc3n2CCCCC3)c1	EMOLS-id_30705357,ZINC22_48313975,MCULE-2859114087,PC-id_47017151	314.382	HRYHCTSPWYJULW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046953
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)c1	ZINC22_29252831	314.382	CHPZBASBJQUPKE-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046954
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)c1	ZINC22_29252838	314.382	CHPZBASBJQUPKE-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046955
COc1ccc(cn1)CCC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_316676688	314.382	AUGMERXGXDCTHO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046956
COc1ccc(cn1)CCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319815402	314.382	GPNQQSBTKMOUDF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046957
COc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1	EMOLS-id_30696632,MCULE-1727432681,PC-id_47017148,ZINC22_48303659	314.382	SXHUGOMZHLGCJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046958
COc1cc(Cn2nc3c(c2)C(=O)NCC(C3)(C)C)nc(c1)C	EMOLS-id_316449672,MCULE-1418637454	314.382	SWJPPEQWNOWCPN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-046959
COc1cc(CNC(=O)C2CCn3c(CC2)nnc3)ccc1C	EMOLS-id_316617579	314.382	FBWPQXJGHWRMPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046960
COc1cc(CNC(=O)C2CCn3c(CC2)nnc3)cc(c1)C	EMOLS-id_320311846,MCULE-9482530947	314.382	PJBYXECBDKFSMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046961
COc1cc(C(=O)NCc2nnc3n2CCCCC3)ccc1C	CoCoCo_4625770,EMOLS-id_17217600,ZINC22_22701174,MCULE-4948330355,PC-id_24249400	314.382	INBJGNYNRDJUEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046962
COc1nn(C)c2c1CCCN(C(=O)Nc1ccccc1C)C2	PC-id_97515527,EMOLS-id_44366646,ZINC22_96254477	314.382	FQHKERQPWHFBGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046963
COc1nn(C)c2c1CCCN(C(=O)Nc1ccc(C)cc1)C2	EMOLS-id_44366648,ZINC22_96254478,PC-id_97515528	314.382	VJEBPRGJWDFQOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046964
COc1nn(C)c2c1CCCN(C(=O)NCc1ccccc1)C2	PC-id_97515525,ZINC22_96254475,EMOLS-id_44366644	314.382	UDNMDHPASDRAJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046965
COCc1ccccc1C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_31898882,PC-id_45812134,ZINC22_40508492,CoCoCo_4820918,MCULE-6340829448	314.382	WMJXRLKQFRMJFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046966
COCc1cccc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318010940	314.382	GMBFXAPRDQHAFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046967
COCc1ccc(cc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318655296	314.382	NEBVNBSPPZKIQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046968
COCc1cccc(C(=O)NCc2nnc3n2CCCCC3)c1	CoCoCo_4625757,EMOLS-id_31875426,ZINC22_40489054,MCULE-4269806469,PC-id_45805020	314.382	MWFWVXJIJXZIRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046969
COCc1nnc2CC(C)N(CCn12)C(=O)Cc1ccccc1	EMOLS-id_313825322	314.382	GHCDRVCLGUYHQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046970
COCc1nnc2n1CCN(C(=O)Cc1ccccc1)[C@H](C)C2	ZINC22_585097162	314.382	GHCDRVCLGUYHQI-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046971
COCc1nnc2n1CCN(C(=O)Cc1ccccc1)[C@@H](C)C2	ZINC22_585097166	314.382	GHCDRVCLGUYHQI-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046972
COCC(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	ZINC22_67675081,EMOLS-id_36430780,MCULE-4675959777,PC-id_56705639	314.382	RQOXLSMDHODRHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046973
O1C[C@@H](NC(=O)CCCCn2nnc(C1)c2)Cc1ccccc1	PC-id_71759296	314.382	SNHUOYHPGIYZPY-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046974
O1C[C@H](NC(=O)CCCCn2nnc(C1)c2)Cc1ccccc1	PC-id_71759311	314.382	SNHUOYHPGIYZPY-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046975
O1C[C@@H](NC(=O)CCCCn2nncc2C1)Cc1ccccc1	PC-id_71758909	314.382	YMGRAOGUIGVMMS-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046976
O1C[C@H](NC(=O)CCCCn2nncc2C1)Cc1ccccc1	PC-id_71760670	314.382	YMGRAOGUIGVMMS-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046977
O1C[C@@H](NC(=O)[C@@H](CCc2n(nnc2)C1)Cc1ccccc1)C	PC-id_71758986	314.382	YQNCRNVEJYAALV-ZFWWWQNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046978
O1C[C@@H](NC(=O)[C@H](CCc2n(nnc2)C1)Cc1ccccc1)C	PC-id_71759018	314.382	YQNCRNVEJYAALV-DZGCQCFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046979
O1C[C@H](NC(=O)[C@@H](CCc2n(nnc2)C1)Cc1ccccc1)C	PC-id_71760558	314.382	YQNCRNVEJYAALV-HIFRSBDPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046980
O1C[C@H](NC(=O)[C@H](CCc2n(nnc2)C1)Cc1ccccc1)C	PC-id_71760795	314.382	YQNCRNVEJYAALV-UKRRQHHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046981
O1C[C@H](NC(=O)[C@@H](CCc2n(nnc2)C1)C)Cc1ccccc1	CHEBI:128159,PC-id_54649834	314.382	VNUHLJCCCHJURR-UKRRQHHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046982
O1C[C@@H](NC(=O)[C@@H](CCc2n(nnc2)C1)C)Cc1ccccc1	PC-id_71760453	314.382	VNUHLJCCCHJURR-HIFRSBDPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046983
O1C[C@H](NC(=O)[C@@H](CCn2nnc(C1)c2)C)Cc1ccccc1	PC-id_54649874,CHEBI:129356	314.382	KNXCXNPVRYAHOS-UKRRQHHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046984
O1C[C@@H](NC(=O)[C@@H](CCn2nnc(C1)c2)C)Cc1ccccc1	PC-id_71758855	314.382	KNXCXNPVRYAHOS-HIFRSBDPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046985
O1C[C@H](NC(=O)[C@H](CCn2nncc2C1)Cc1ccccc1)C	PC-id_71758948	314.382	BJFXOXRTXHMMMB-UKRRQHHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046986
O1C[C@@H](NC(=O)[C@H](CCn2nnc(c2)C1)Cc1ccccc1)C	PC-id_71758983	314.382	BCFFTALENUOKQQ-DZGCQCFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046987
O1C[C@@H](NC(=O)[C@H](CCn2nncc2C1)Cc1ccccc1)C	PC-id_71759011	314.382	BJFXOXRTXHMMMB-DZGCQCFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046988
O1C[C@H](NC(=O)[C@@H](CCn2nncc2C1)Cc1ccccc1)C	PC-id_71759510	314.382	BJFXOXRTXHMMMB-HIFRSBDPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046989
O1C[C@@H](NC(=O)[C@@H](CCn2nnc(c2)C1)Cc1ccccc1)C	PC-id_71759588	314.382	BCFFTALENUOKQQ-ZFWWWQNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046990
O1C[C@H](NC(=O)[C@H](CCn2nnc(c2)C1)Cc1ccccc1)C	PC-id_71760014	314.382	BCFFTALENUOKQQ-UKRRQHHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046991
O1C[C@H](NC(=O)[C@@H](CCn2nnc(c2)C1)Cc1ccccc1)C	PC-id_71760531	314.382	BCFFTALENUOKQQ-HIFRSBDPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046992
O1C[C@@H](NC(=O)[C@@H](CCn2nncc2C1)Cc1ccccc1)C	PC-id_71760601	314.382	BJFXOXRTXHMMMB-ZFWWWQNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046993
O1CC(NC(=O)C(CCc2n(nnc2)C1)C)Cc1ccccc1	PC-id_76161095	314.382	VNUHLJCCCHJURR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046994
O1CC(NC(=O)C(CCn2nnc(C1)c2)C)Cc1ccccc1	PC-id_76161112	314.382	KNXCXNPVRYAHOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046995
O=C1Cc2n(CCCC1)c(cc2C(=CC=C)C)C(=O)N=C(N)N	PC-id_20676388	314.382	FGQDZAYCEJAIDS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-046996
Oc1ccc(cc1)CCCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319321012	314.382	QMLODQRSHBFULC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046997
Oc1cccc(c1)[C@H](NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101713946	314.382	KAMLNKGIRMGZLH-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046998
Oc1ccc(c(c1)C(=O)N(Cc1nnc2n1CCCCC2)C)C	EMOLS-id_278506043	314.382	XIIAKMQESHALIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-046999
Oc1cc(cc(n1)C(C)C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674787	314.382	TUJMPQCIAUNLCF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047000
O=C1CCCN1Cc1ncn2c1CN(Cc1ccco1)CCC2	ZINC22_96259360,PC-id_97519444,EMOLS-id_44370268	314.382	HRMKNGRRJLZEQM-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047001
O=c1n2CCCCCc2nn1CC(=O)NC(c1ccccc1)C	EMOLS-id_24108353,MCULE-3966155537,PC-id_42889886	314.382	XXZLVPYVVDFSGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047002
O(C1Nc2n(Cc3ccccc3)cnc2C(=O)NC1)CCCC	PC-id_71770021	314.382	HUGOWTLMQSJMHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047003
O=C1NCC(Cc2[nH]c(nc12)CCn1c(cccc1=O)C)(C)C	PC-id_50975654	314.382	XASJOBKDEUHGLM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047004
O=C1NCCOCc2nnn(CCC[C@@H]1Cc1ccccc1)c2	PC-id_71760458	314.382	WODPNAZQVQWVNT-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047005
O=C(C1CC1c1ccco1)NCCc1nnc2n1CCCCC2	PC-id_86852690	314.382	ZLLUPHUJAQOQSA-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-047006
O=C(c1cc2c(o1)CCCC2)NCc1nnc2n1CCCCC2	EMOLS-id_319161647	314.382	BXFHCGIYNYAQQW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047007
OCc1ccc(cc1)NC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319503680	314.382	ZEFOFYQARMAYKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047008
O=C(c1ccc(c(c1O)C)C)NCc1nnc2n1CCCCC2	PC-id_87012803	314.382	JFEBNNGKRWIPHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047009
O=C(C1CCCCc2n1c(=O)[nH]n2)NCc1cc(C)ccc1C	MCULE-4555173467,EMOLS-id_207869298	314.382	NOCKJQCEAFBBID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047010
O=C(C1CCCCc2n1c(=O)[nH]n2)NCCc1cccc(c1)C	EMOLS-id_207869334	314.382	MGWQXQSKXUJQMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047011
OCc1ccc(cn1)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	MCULE-6889253367,EMOLS-id_320249084	314.382	ODHPRQLYYCMSKV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047012
OC(c1cccnc1)CN(C(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318764071	314.382	XPKSMXFQMCJMQT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047013
O=C(c1ccc[nH]1)N1Cc2nccn2C[C@@H](COCC2CC2)C1	PC-id_97462360,ZINC22_96187911	314.382	WPLFMJRBJMXGPT-CQSZACIVSA-N	00100000110000000101000000000010000000000000000000000000	31-01-047014
O=C(c1ccc[nH]1)N1Cc2nccn2C[C@H](COCC2CC2)C1	ZINC22_96187910,PC-id_97462359	314.382	WPLFMJRBJMXGPT-AWEZNQCLSA-N	00100000110000000101000000000010000000000000000000000000	31-01-047015
O=C(c1ccc[nH]1)N1CCCn2cnc(COCC3CC3)c2C1	PC-id_97520054,EMOLS-id_44371480,ZINC22_96259974	314.382	YBENXBXAUGWHPD-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-047016
O=C(c1ccco1)N1Cc2nccn2C[C@H](CN2CCCC2)C1	PC-id_97462799,ZINC22_96188360	314.382	MSQSIMAAANCDPW-AWEZNQCLSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047017
O=C(c1ccco1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_96188361,PC-id_97462800	314.382	MSQSIMAAANCDPW-CQSZACIVSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047018
O=C(c1ccco1)N1CCc2ncc(CN3CCCC3)n2CC1	EMOLS-id_44328647,ZINC22_96196857,PC-id_97467001	314.382	SICOZIGBRCEFJW-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047019
OCc1cc(NC(=O)C2CCn3c(CC2)nnc3)c(cc1C)C	EMOLS-id_320137051,MCULE-7241421551	314.382	UUXFHKCERSHNTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047020
O=C(c1ccoc1)N1Cc2nccn2C[C@H](CN2CCCC2)C1	ZINC22_96188362,PC-id_97462801	314.382	ZCBONVCLLWXVKW-AWEZNQCLSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047021
O=C(c1ccoc1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_96188363,PC-id_97462802	314.382	ZCBONVCLLWXVKW-CQSZACIVSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047022
O=C(c1ccoc1)N1CCc2ncc(CN3CCCC3)n2CC1	PC-id_97467002,ZINC22_96196858,EMOLS-id_44328649	314.382	JRYJMBWYLYZPIO-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047023
O=C(C1CCOC1)N1CCCn2cnc(Cn3cccc3)c2C1	EMOLS-id_44370474	314.382	JADQLCCKYHRIMD-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-047024
O=C(c1cnc2n1CCCCC2)N1CCC(CC1)c1ocnc1	EMOLS-id_319387846	314.382	PETSEYMZJSVOFC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-047025
O=C(c1cnc(o1)C1CC1)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_316425623,MCULE-3971435327	314.382	XZCKUQPQZQTDKU-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-047026
O=C(c1[nH]c(c(c1C)C(=O)C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_112009691	314.382	IUIJRAROGGCLAF-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-047028
O=C(c1n[nH]c2c1CCCCC2)N1CCC(CC1)c1ocnc1	MCULE-9263083037,EMOLS-id_320227215	314.382	KMKMIXQCWGVDII-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-047029
O=C(c1noc2c1CCCCC2)N1Cc2cn[nH]c2C(C1)(C)C	EMOLS-id_318782203	314.382	DBRSVBSRTPSJSF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047030
O=C(c1noc2c1CCCCC2)N1CCC(C1)c1nccn1C	EMOLS-id_100141401	314.382	VUMKJZVVBZWXNE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047031
O=C(c1noc2c1CCCCC2)N1CCCc2c(C1)cnn2C	EMOLS-id_101676527	314.382	QPPVRXIXZJEITH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047032
O=C(c1noc2c1CCCCC2)N1CCCC(C1)c1[nH]ccn1	EMOLS-id_111830054	314.382	PYOBTAAOWOIHLW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-047033
O=C(c1noc2c1CCCCC2)N1CCC(CC1)n1ccnc1	EMOLS-id_100115982	314.382	AQFCSVTVULOXLA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-047034
O=C(c1noc2c1CCCCC2)NC1CC(C1)Cn1ccnc1	EMOLS-id_318822987	314.382	LCBIQHVXPQBKNO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-047035
O=C(c1noc2c1CCCCC2)NC1CCCc2c1cnn2C	EMOLS-id_111825631	314.382	SNGTZVXUJHJOCA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047036
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OC(=O)c1ccc(cc1)CNC(c1nnc2n1CCCCC2)C	PC-id_121655197	314.382	WTLRDIFLVVSIEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047074
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1nc(nn1C)C1CC1	EMOLS-id_319028829	314.385	JLVQJNNAZORTFB-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-047096
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Cn1ncc2c1CCCN(C(=O)Nc1cnn(C3CCC3)c1)C2	EMOLS-id_316958124,ZINC22_934306129,MCULE-9142393475,PC-id_136564370	314.385	LFRYGKHBDQBVJW-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-047123
Cn1nc(C2CC2)nc1Cn1cc2c(n1)CC(C)(C)CNC2=O	EMOLS-id_320341621,MCULE-3132209478,PC-id_139021806,ZINC22_634559699	314.385	CICLJEJVDIUWOF-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-047124
Cn1nccc1[C@H]1CCCN1C(=O)[C@H]1CCc2nncn2CC1	ZINC22_1773723615	314.385	YSINNHWWVIUGMY-GXTWGEPZSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047125
Cn1nccc1[C@@H]1CCCN1C(=O)[C@H]1CCc2nncn2CC1	ZINC22_1773723616	314.385	YSINNHWWVIUGMY-JSGCOSHPSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047126
Cn1nccc1[C@@H]1CCCN1C(=O)[C@@H]1CCc2nncn2CC1	ZINC22_1773723617	314.385	YSINNHWWVIUGMY-OCCSQVGLSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047127
Cn1nccc1[C@H]1CCCN1C(=O)[C@@H]1CCc2nncn2CC1	ZINC22_1773723618	314.385	YSINNHWWVIUGMY-TZMCWYRMSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047128
CN(c1cccc(n1)CNC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319344811	314.385	GCHGXBYSSDCNBE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047129
CNc1ccc(cn1)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318228394,MCULE-7295405431	314.385	DJEANCHRFHLZCR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047130
CN(c1cccnc1C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_316482812	314.385	QWBFTLYJCOHEPJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047131
CN(Cc1cccnc1)CC1CN(Cc2n(C1)ccn2)C(=O)N	PC-id_118740948	314.385	PRVVXUTWHQRHSQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047132
CN(Cc1cccnc1)C(=O)NCc1nnc2n1CCCCC2	MCULE-3997380299,EMOLS-id_316856465,ZINC22_598054729	314.385	XQJNLCRHVOKEIO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047133
CN(C)c1cc(C(=O)NCc2nnc3n2CCCCC3)ccn1	CoCoCo_4905521,PC-id_45824398,EMOLS-id_31961563,ZINC22_40535457,MCULE-5256505280	314.385	HCLSWDNBVCGTRY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047134
CN(Cc1ccncc1)C(=O)NCc1nnc2n1CCCCC2	ZINC22_89363774,MCULE-9915085242,EMOLS-id_45753610,PC-id_71894016	314.385	UVVJFMHARPLYQJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047135
CN(Cc1cnc2n1CCN(CC2)C(=O)N)Cc1cccnc1	PC-id_97467243	314.385	VNWMNXJKBJGILR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047136
CN(C(=O)C1CCn2c(CC1)nnc2)CCNc1ccccn1	EMOLS-id_320086754,MCULE-8110646778	314.385	VBSVCIIEGUGEFN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047137
CN(C(=O)c1c[nH]nc1C1CC1)Cc1nnc2n1CCCCC2	EMOLS-id_318665843	314.385	FYTXDCCOTFBBJF-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-047138
COc1cccc(c1)NC(=NCc1nnc2n1CCCCC2)N	PC-id_111031868	314.385	VXLGLVLLJVXOOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047139
COc1ccccc1NC(=NCc1nnc2n1CCCCC2)N	PC-id_111031870	314.385	JZJGOZHUDMFNJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047140
COc1ccc(cc1)NC(=NCc1nnc2n1CCCCC2)N	PC-id_111031874	314.385	RWVCUPUPZKSOPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047141
n12CCCCCc1nnc2CNc1ncnc([C@H]2C[C@H](C2)O)c1	MCULE-2738995410,EMOLS-id_55666989,ZINC22_244652040	314.385	GYRDBKIFPYRYNY-TXEJJXNPSA-N	00001000100000100101100000000010000000000000000000000000	31-01-047142
n12CCNCc1cc(CCC(=O)N1CCCn3cncc3C1)n2	MCULE-5516054313,ZINC22_72426847,PC-id_70737826,EMOLS-id_43114617	314.385	IFOREDRBMDUQJI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047143
NC(N1CCC(=C(C1)C(=N)C1=Cc2cnn(c2CC=C1)C)N)O	PC-id_144347358	314.385	UUVPVSKTVMLFLE-UHFFFAOYSA-N	00000000100011000111000000000010000000000000000000000000	31-01-047144
O=C1CCCN1CC1CCn2nccc2CN1Cc1cn[nH]c1	EMOLS-id_313818922	314.385	HXCMBJUGHJIZFA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047145
O=C1CCCN1C[C@@H]1CCn2nccc2CN1Cc1cn[nH]c1	ZINC22_585097151	314.385	HXCMBJUGHJIZFA-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047146
O=C1CCCN1C[C@H]1CCn2nccc2CN1Cc1cn[nH]c1	ZINC22_585097154	314.385	HXCMBJUGHJIZFA-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047147
O=C(C1(CCC1)Cc1cnn[nH]1)N1CCCc2c(C1)cnn2C	MCULE-6273121412,EMOLS-id_319972675	314.385	RUAQGCIOZVUZQJ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-047148
O=C(c1ccc(cn1)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102175361	314.385	UMJAGYWFCVNQPZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047149
O=C(C1CCCn2c1ncn2)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318822962	314.385	ZNERLUJSVXFNIO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047150
O=C(c1ccc(nc1)NCc1nnc2n1CCCCC2)N(C)C	MCULE-6877804449,EMOLS-id_318247820	314.385	OFILYLXNUIRTDP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047151
s1c2c(CCCCC2)cc1C(O)c1c2c(sc1)cccc2	PC-id_63426637	314.465	WJQXCSDTUORELJ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-047430
O=C(c1ccc[nH]1)N1CCc2nnc(CN3CCCC3)n2CC1	PC-id_97405776,EMOLS-id_46182937,ZINC22_96084958	314.385	ARRZTFPFASNLLX-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-047152
O=C(c1ccc[nH]1)N1CCCn2c(C1)c(nn2)CN1CCCC1	PC-id_97413601	314.385	DGPBJDLMCRQSKW-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-047153
O=C(c1ccc[nH]1)N1CCCn2c(C1)nnc2CNC1CCC1	PC-id_97405588	314.385	UQOMCHAMZPZFOA-UHFFFAOYSA-N	00001000110000000101000000000010000000000000000000000000	31-01-047154
O=C(C1CCn2c(CC1)nnc2)Nc1ccnn1C1CCCC1	EMOLS-id_316779010	314.385	LWKRKWXUMKHADN-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047155
O=C(C1CCn2c(CC1)nnc2)NCCn1ccc(n1)C1CC1	EMOLS-id_318777923	314.385	STWYFDIBGCIYNL-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-047156
O=C(C1CCn2c(CC1)nnn2)NCCCc1ccncc1C	EMOLS-id_319747936	314.385	RGNACVBGJGTHQZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047157
O=C(c1cc[nH]c1)N1CCCn2nnc(CN3CCCC3)c2C1	EMOLS-id_313732571,ZINC22_1565553773	314.385	DZDJMSZMSAKEPM-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-047158
O=C(c1ccn[nH]1)N1CCCn2c(C1)c(nc2)CN1CCCC1	PC-id_97519422	314.385	NXZGCNAQCJHDRX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047159
O=C(c1cn2c(n1)CCCC2)NCc1nnc2n1CCCCC2	EMOLS-id_97819310	314.385	AAFPTMBTVMNTQX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047160
O=C(c1cnc2n1CCCCC2)NC1CC(C1)Cn1ccnn1	EMOLS-id_319042779	314.385	OREUDPJADOIQID-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-047161
O=C(c1cnc2n1CCCCC2)N[C@@H]1C[C@H](C1)Cn1ncnc1	MCULE-1603500053,EMOLS-id_319975311	314.385	CNKWTFVGAIWKGV-JOCQHMNTSA-N	00001000100000000101000000000010000000000000000000000000	31-01-047162
O=C(c1n[nH]c2c1CCCCC2)N1CCC[C@H]1Cn1ccnn1	ZINC22_299742423,MCULE-2131100399,PC-id_120949693,EMOLS-id_72960299	314.385	HWDSNJRHYVHPKT-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047163
O=C(c1n[nH]c2c1CCCN2)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318826872	314.385	CNELOXTXVNKGGV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047164
O=C(c1n[nH]c(c1)C1CC1)NC(c1nnc2n1CCCCC2)C	PC-id_53519418,MCULE-1851970261,EMOLS-id_35699466	314.385	BQRGVLZKJADPJY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-047165
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Nc1cnc(cn1)C	EMOLS-id_320328584,MCULE-5033012503	314.385	KEMIURMLRAHNNB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047166
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Nc1nccc(n1)C	EMOLS-id_320185512,MCULE-3911081958	314.385	QRDZAWJUFCBWBN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047167
O=C(N1CCCC1c1ccnn1C)C1CCn2c(CC1)nnc2	MCULE-2316556457,EMOLS-id_324073337,PC-id_145910125	314.385	YSINNHWWVIUGMY-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047168
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(n1)N(C)C	EMOLS-id_101845864	314.385	JRXJAOFDVVDSCB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047169
O=C(N1CCCc2c(C1)cnn2C)NC1CCCn2c1ccn2	MCULE-5896160700,EMOLS-id_316383471	314.385	MRZLWSGQXIZOKQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047170
O=C(N1CC(CCC1)c1[nH]ncc1)c1n2CCCCCc2nn1	PC-id_56753736	314.385	DBBNNLJNJKWBPL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-047171
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccccc1N(C)C	EMOLS-id_318988955	314.385	CYIOCGIREGHISX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047172
O=C(N1CCCn2c(C1)cc(n2)N)NC(c1cnccc1C)C	EMOLS-id_318964704	314.385	XHJWEJNWVYAQJE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047173
O=C(N1CCCn2c(C1)cc(n2)N)NCCc1ccc(nc1)C	EMOLS-id_319508242	314.385	ACIVZTUXZFSRFK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047174
O=C(Nc1c(C)cc(cc1C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102025261	314.385	BFAGAGJWAYNNPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047175
O=C(NCCc1ccccn1)NCc1nnc2n1CCCCC2	ZINC22_65595095,PC-id_53518346,EMOLS-id_35716918,MCULE-8720246344	314.385	HXUATSWDTZOPGJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047176
O=C(NCCc1cccnc1)NCc1nnc2n1CCCCC2	PC-id_53515458,EMOLS-id_35699378,ZINC22_65565402,MCULE-8018889396	314.385	VKPCFLJGRHCARM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047177
O=C(NCC)c1ccc(NCc2nn3CCCNCc3c2)nc1	PC-id_70760987	314.385	HHBYOWBNSDZAEX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047178
O=C(NCCc1n2CCCCCc2nn1)c1c(ncnc1)CC	PC-id_60544337	314.385	OXCDXGSWTXOVBN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047179
O=C(NCCc1n2CCCCCc2nn1)NCc1cccnc1	PC-id_52380291	314.385	UVNQPUOQVWENPV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047180
O=C(NCCc1n2CCCCCc2nn1)NCc1ccncc1	PC-id_52220599	314.385	GINIMXUWCMRWHA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047181
O=C(NCCc1n2CCCCCc2nn1)NCc1ncccc1	PC-id_52381650	314.385	QLLKJPUSZJMCDE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047182
Cc1ncc(s1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028475	314.387	ROPXJNWMNQTRPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047183
c12c(CCCCN1CC1CC1)cc(C(=O)NCC(F)F)s2	EMOLS-id_97029536,MCULE-2713016283	314.394	QKCXVUIVIBIWOM-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-047184
O=C(N1CCCCc2c1sc(n2)C)C1CCCC(C1)(F)F	EMOLS-id_319540528	314.394	IXJSSAWCEROBDK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047185
O=C(N1CCCCc2c1sc(n2)C)CC1CCCC1(F)F	EMOLS-id_319241766	314.394	DZZQFUAATZVWNW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047186
O=C(N1CCCCc2c1sc(n2)C)CC1CCC(C1)(F)F	MCULE-5287127353,EMOLS-id_320009693	314.394	XBRNNRMLLSMCNU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047187
s1c2CCCCCc2cc1C(=O)Oc1ccc(cc1)C(=O)C	PC-id_7900781	314.399	XGLZNHVGFAPCSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047188
CC1(C)OCCN(C1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99301735	314.4	GTEGRZRDAHOVGX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047189
CCC(S(=O)(=O)NC(=O)c1noc2c1CCCCC2)CC	EMOLS-id_112072558	314.4	PJTBTTJHOOKVBC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047190
COCCC1CN(Cc2cccn2C1)C(=O)CS(=O)(=O)C	EMOLS-id_313835560	314.4	VBTCCLFUVRDRCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047191
COCC[C@H]1CN(C(=O)CS(=O)(=O)C)Cc2cccn2C1	ZINC22_585095517	314.4	VBTCCLFUVRDRCP-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047192
COCC[C@@H]1CN(C(=O)CS(=O)(=O)C)Cc2cccn2C1	ZINC22_585095518	314.4	VBTCCLFUVRDRCP-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047193
Fc1ccc2c(c1)CCC2NCCc1nnc2n1CCCCC2	EMOLS-id_318216698,MCULE-9233563738	314.4	AEUTWLFCABGTED-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047194
Fc1ccc2c(c1)C(NCCc1nnc3n1CCCCC3)CC2	MCULE-1009999336,EMOLS-id_318299506	314.4	WLNDWRLJKRMTNN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047195
Fc1cccc2c1CCC2NCCc1nnc2n1CCCCC2	EMOLS-id_318227694,MCULE-9051714310	314.4	GLIZBWQHCHVGLJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047196
Fc1ccc(cc1)C1(CCC1)NCc1nnc2n1CCCCC2	EMOLS-id_318146549,MCULE-4703228505	314.4	HCVGZHYGLRPTHL-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-047197
C1CCc2c(CC1)sc(c2)C(=O)N/N=C/c1ccc(cc1)O	PC-id_135731443	314.402	MUGISCRFEKSTTF-WOJGMQOQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047198
c1(NC(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)N	PC-id_722921,SCHEMBL8289672,MCULE-3174944000,ZINC22_127429,EMOLS-id_1243594	314.402	MMTUBEORXSCWIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047199
c1(NC(=O)c2ccc(C)o2)sc2c(CCCCCC2)c1C#N	CoCoCo_683298,TIMTEC114847,CK1143242,ChEMBL-DNDi_CHEMBL5694697,EMOLS-id_1990359,ZINC22_2736665,MCULE-3149354266,PC-id_2163365	314.402	CZUPDDPCMLOVKG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-047200
c1(NC(=O)c2cc(oc2C)C)sc2c(CCCCC2)c1C#N	MCULE-1989558309,EMOLS-id_13330210,PC-id_17172998,CoCoCo_1069009,TIMTEC238012,ZINC22_13327757	314.402	JHMQQEAXNSTTAC-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-047201
c1(NC(=O)c2ccoc2C)sc2c(CCCCCC2)c1C#N	SPECS-id_AK-968/12162146,ZINC22_483589,EMOLS-id_1094792,MCULE-1058887756,CoCoCo_5818012,PC-id_903423	314.402	ZWTKDMAINXGZGH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-047202
Cc1nc2c(s1)N(CCCC2)C(=O)C1Cc2c(O1)cccc2	MCULE-9764216602,EMOLS-id_320113369	314.402	ZOFTWVVELFDGIH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047203
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)CCO2	EMOLS-id_318925424	314.402	GCVFBVGTBKIEAO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047204
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)COC2	EMOLS-id_319485689	314.402	CUDCATPQXNQZFG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047205
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)OCC2	EMOLS-id_319465720	314.402	IWFAZOSIJLGNOC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047206
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc2c1COC2	EMOLS-id_318864703	314.402	SKSOSUOJHKQCOK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047207
Nc1ccc(cc1)C(=O)N1CCCC(=O)c2c1sc(c2C)C	PC-id_139690673	314.402	LQMDYRVSHRDQKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047208
N#Cc1c(sc2c1CCCCCC2)NC(=O)c1occc1C	EMOLS-id_110431593	314.402	SLWRSLXLCUPASH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-047209
NC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_3646854,MCULE-4838106165,CoCoCo_4010638,ZINC22_9592769,PC-id_16370750	314.402	JISYZWRFHIKENG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047210
NC(=O)c1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1	ZINC22_15567155,PC-id_26682918,MCULE-1813895163,EMOLS-id_23981934,CoCoCo_3297657	314.402	IMIQIZGGXPUQBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047211
O=C(C1Cc2c(N1)cccc2O)N1CCCc2c(C1)ccs2	EMOLS-id_319481742	314.402	YOJOBZMQYOLATA-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-047212
O=C(C1Cc2c(O1)cccc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_25653800,PC-id_42933527,MCULE-8356198907	314.402	VPCAETIGKFCEEZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047213
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1ccccc1	CoCoCo_3333075,PC-id_2529836,EMOLS-id_3364171,MCULE-7253395676	314.402	VHKDZSVKRHWDHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047214
O=C(c1ccc2c(c1)COC2)Nc1nc2c(s1)CCCCC2	EMOLS-id_99024942	314.402	DAZLLBOXFGMQDG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047215
O=C(c1ccc(C2CC2)nc1O)N1CCCCc2sccc12	PC-id_136565101,EMOLS-id_316993956,MCULE-2841960823,ZINC22_935790112	314.402	WMKNIBUOOSLLDK-UHFFFAOYSA-N	00100000100000101100100000000010000000000000000000000000	31-01-047216
O=C(c1ccccc1)NCC(=O)N1CCCCc2c1ccs2	EMOLS-id_318271288	314.402	JWRGXXQDPWAGBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047217
O=C(c1noc2c1CCCCC2)NC1CSc2c1cccc2	EMOLS-id_100092237	314.402	WZEYEOCWQSEVNX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047218
O=C(N1CCCc2c(C1)ccs2)Cc1ccc(cc1)C(=O)N	EMOLS-id_318320154	314.402	ZTXMWFDJZOLAQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047219
O=C(N1CCCc2c(C1)ccs2)CNC(=O)c1ccccc1	EMOLS-id_318296714	314.402	KDYXAPPCZZIWEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047220
O=C(N1CCCCc2c1ccs2)Cc1ccc(cc1)C(=O)N	EMOLS-id_318200245	314.402	GZILDYXAHKCOGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047221
O=C(N1CCCCc2c1sc(n2)C)C1COc2c1cccc2	EMOLS-id_319234629	314.402	WVOSDJCPLCMEPG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047222
O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1Cc2ccccc2O1	PC-id_29859492,CoCoCo_4546229,ZINC22_21902304	314.402	VPCAETIGKFCEEZ-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047223
O=C(Nc1nc2c(s1)CCCCC2)[C@H]1Cc2ccccc2O1	ZINC22_21902307,PC-id_29859494,CoCoCo_4546228	314.402	VPCAETIGKFCEEZ-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047224
s1c2CCCCCc2cc1C(=O)Nc1ccc(cc1)C(=O)N	PC-id_8885459	314.402	LPMRQLURSSJFMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047225
s1c2CCCCCc2cc1C(=O)NN/C=C
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s1c2CCCCCc2cc1C(=O)NN=Cc1cc(O)ccc1	PC-id_78620853	314.402	RAQIRFNRIPHUEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047227
s1c2CCCC(C(=NNc3ccccc3)c2cc1)CC(=O)O	PC-id_10495480	314.402	MYWZXFYLOKGMBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047228
c1(C(=O)NCCS(=O)(=O)N(C)C)c2CCCCCc2[nH]n1	ZINC22_291561341,MCULE-1984613902,EMOLS-id_323254961	314.404	NZFTVUNACQMCMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047229
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)N1CCOCCC1	EMOLS-id_319176860	314.404	ZNXJZNHIICTYIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047230
CC1(C)CCOC1CS(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319676064	314.404	CBSOWCMYNWYTAZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047231
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(NS(=O)(=O)C)(C)C	EMOLS-id_319519277	314.404	MSJUHCWYVDYCRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047232
CC1OCCC(C1)CS(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319278296	314.404	SBWIFJAUUXZBOD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047233
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)C1COC1	EMOLS-id_100593238	314.404	IKSRHOCYZITDME-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-047234
CC(C)C(=O)NCC1CCn2nccc2CN1S(=O)(=O)C	EMOLS-id_313818663	314.404	ALUMDUSXFUOWQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047235
CC(C)C(=O)NC[C@H]1CCn2nccc2CN1S(=O)(=O)C	ZINC22_585096692	314.404	ALUMDUSXFUOWQS-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047236
CC(C)C(=O)NC[C@@H]1CCn2nccc2CN1S(=O)(=O)C	ZINC22_585096693	314.404	ALUMDUSXFUOWQS-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-047237
CCCS(=O)(=O)N1CCc2nn(c(=O)n2CC1)CC1CC1	MCULE-4456891788,EMOLS-id_50586465,PC-id_91922476	314.404	RZLJCSGSFLBWGO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-047238
CCO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319480526	314.404	QDZMDCNRPDFRRI-OLZOCXBDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047239
CCS(=O)(=O)N1CCCn2nnc(COCC3CC3)c2C1	ZINC22_96058858,EMOLS-id_46148013,PC-id_97381515	314.404	KEYMMKIXOXGDSR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-047240
CCS(=O)(=O)NC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_318981909	314.404	ALXPXYNIUKHGAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047241
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)C	MCULE-7517223679,EMOLS-id_50586259,PC-id_91910885	314.404	BGJULSDZXQWVMJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-047242
COCC1(CCC1)CS(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319464570	314.404	ZXOQCTKIHSMXSC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-047243
CSC[C@@H](O[C@@H](n1cnc2c1N=CNCC2)[C@@H](O)C)CO	PC-id_71171258,SCHEMBL14437409	314.404	SIWKKWNLOGUFCA-OUJBWJOFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-047244
O=C(C(S(=O)(=O)N)C)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319391659	314.404	WVQMFODGLHXNON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047245
O=S(=O)(CC1CCCO1)NCc1nnc2n1CCCCC2	EMOLS-id_97826612	314.404	OEYRVRNNJVUJCC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047246
O=S(=O)(N1CCCn2c(C1)cnn2)CCC1CCCOC1	EMOLS-id_320008676,MCULE-9432818204	314.404	FUHHDJSFCYZHMM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047247
O=S(=O)(N1CCCn2c(C1)cnn2)CCCC1COCC1	MCULE-4372784828,EMOLS-id_319999554	314.404	MKDBMDRUTQNXEV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047248
O=S(=O)(NCc1n[nH]c2c1CCCCC2)N1CCOCC1	EMOLS-id_222763357,ZINC22_670446666,MCULE-4305736292	314.404	HDTZIQJNSPIZMY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047249
S(CC(OC(n1c2NC=NCCc2nc1)C(O)C)CO)C	PC-id_78020635	314.404	SIWKKWNLOGUFCA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-047250
C1CN(Cc2cc(nn2C1)CO)Cc1nc2ccccc2s1	PC-id_91789857	314.405	YHWNNDRWWDWINM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047251
Cc1cc2[nH]c(C(=O)N3CCCc4c(cnn4C)C3)cc2s1	ZINC22_1875283730	314.405	CRSUYNVDPLCMDY-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-047252
Cc1cc(=O)c2sccc2n1Cc1nnc2n1CCCCC2	EMOLS-id_100306093,ZINC22_330108259,MCULE-1032895434	314.405	NJIXNRIHVLBLLW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047253
CC1CN(Cc2csc(n2)c2ccco2)Cc2c(C1)[nH]nc2	EMOLS-id_319378217	314.405	XLOIQPUBADTHQK-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-047254
CC1CN(Cc2csc(n2)c2cocc2)Cc2c(C1)[nH]nc2	EMOLS-id_318785729	314.405	NJCNNMLDOATLIW-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-047255
CC1CN(Cc2ncc(o2)c2cccs2)Cc2c(C1)[nH]nc2	EMOLS-id_319943970,MCULE-4971590144	314.405	UANYQOVZUAGHQD-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-047256
CC1CN(Cc2noc(c2)c2cccs2)Cc2c(C1)[nH]nc2	EMOLS-id_319886386,MCULE-6889342634	314.405	IZAWTHCLGVGEGY-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-047257
Cn1cc(cc1C(=O)Nc1nc2CCCCCCc2s1)C#N	ZINC22_81050192,EMOLS-id_111790174,PC-id_134696010,MCULE-6233431167	314.405	ITACUVCVQJVBGM-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-047258
N#Cc1c(NC(=O)CCn2ccnc2)sc2c1CCCCC2	CoCoCo_4424300,ZINC22_9415048,MCULE-4876673764,PC-id_16311148,EMOLS-id_11738689	314.405	QJLIIACLJSHBOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047259
N#Cc1c(sc2c1CCCCCC2)NC(=O)c1ccnn1C	EMOLS-id_110928190	314.405	HRDUBARDDBLXTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047260
O=C(c1cnc(nc1N)C1CC1)N1CCCc2c(C1)ccs2	MCULE-5597454731,EMOLS-id_317993590	314.405	VYBDNFMTSSMWFL-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-047261
O=C(N1CCCc2c(C1)ccs2)Nc1nccc(n1)C1CC1	EMOLS-id_319154720	314.405	SMZCAGPCFIVXFV-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-047262
O=C(N1CCCCc2c1ccs2)c1cnc(nc1N)C1CC1	EMOLS-id_318255493,MCULE-8417678202	314.405	FXYZVHKWLPCIPV-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-047263
s1c2CCCCCc2c(c1NC(=O)c1nn(c(c1)C)C)C#N	PC-id_16952150	314.405	KUNQLMQPJNCBFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047264
s1c2CCCCCc2c(c1NC(=O)c1n(ncc1)CC)C#N	PC-id_49695162	314.405	AOHKRYUJISLIQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047265
s1c2CCCCCc2c(c1NC(=O)c1nn(CC)cc1)C#N	PC-id_49696757	314.405	BTHIAKFHVMTGID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047266
CC1CCCCN1S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026617	314.407	VNHJKNCYPVEGGX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047267
CC1CCN(CC1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026599	314.407	SIPWKVKCCPOKNO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047268
O=S(=O)(N1CCCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102026593	314.407	HVAUAEURIOBQIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047269
c1cn2c(n1)CN(Cc1ccsc1)C[C@@H](Cn1cncn1)C2	PC-id_97463044,ZINC22_96188610	314.409	KNYGBCPSWJRSBM-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047270
c1cn2c(n1)CN(Cc1ccsc1)C[C@H](Cn1cncn1)C2	ZINC22_96188611,PC-id_97463045	314.409	KNYGBCPSWJRSBM-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047271
c1cn(Cc2nnn3c2CN(Cc2ccsc2)CCC3)cn1	PC-id_97519612,ZINC22_96259530,EMOLS-id_44370608	314.409	FYVQOAFGDNBHOE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047272
c1cnn(c1)Cc1nnn2c1CN(CCC2)Cc1cccs1	PC-id_97519629	314.409	HAIJSASHSOMUJS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047273
c1cnn(Cc2cnc3n2CCN(Cc2nccs2)CC3)c1	PC-id_97467078,EMOLS-id_44328797,ZINC22_96196934	314.409	ODKSZPSUWTZEBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047274
c1cnn(Cc2nnc3n2CCCN(Cc2ccsc2)C3)c1	EMOLS-id_44370862,ZINC22_96259659,PC-id_97519741	314.409	XRYIWIBQNGIVGO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047275
c1csc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)c1	PC-id_97463043,ZINC22_96188609	314.409	GGSSJUNGJNXWII-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047276
c1csc(CN2Cc3nccn3C[C@H](Cn3cncn3)C2)c1	ZINC22_96188608,PC-id_97463042	314.409	GGSSJUNGJNXWII-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047277
c1csc(CN2CCc3ncc(Cn4cncn4)n3CC2)c1	PC-id_97467124,ZINC22_96196980,EMOLS-id_44328891	314.409	PFRUPFVSBVKPKR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047278
c1ncn(Cc2cnc3n2CCN(Cc2ccsc2)CC3)n1	EMOLS-id_44328895,CHEMBL3552997,ZINC22_96196982,PC-id_97467126	314.409	BXLUMLLPFUIASC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047279
c1nc(NCCc2nnc3n2CCCCC3)c2ccsc2n1	MCULE-2273865258,ZINC22_48355958,PC-id_53499238,EMOLS-id_36626319	314.409	AOZFLHJNGSPNEG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047280
c1scc(c1)CN1CCCn2c(C1)c(nn2)Cn1cccn1	PC-id_97519628	314.409	CZYWJEXXCQVYAB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047281
C(C1CN(Cc2cccs2)Cc2nccn2C1)n1cncn1	PC-id_118743712,EMOLS-id_44326449	314.409	GGSSJUNGJNXWII-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047282
C(C1CN(Cc2ccsc2)Cc2nccn2C1)n1cncn1	EMOLS-id_44326451,PC-id_118745165,CHEMBL3554687	314.409	KNYGBCPSWJRSBM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047283
CN(Cc1nnc2n1CCCCC2)c1ncnc2sccc12	EMOLS-id_30671131,ZINC22_48274149,PC-id_47016573,MCULE-3528594465	314.409	WLEBIOSSPDMHFC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047284
CCOC(=O)C(Cc1ccc(cc2-c1ccc2C)C(C)C)(O)C	PC-id_101798384	314.419	WANQPJSFEJFJAH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047285
OCC(CCc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2)C	PC-id_72743187	314.419	MJNAMIDERSESKW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047286
OCCCCCCCCc1c2-c(c(c1)C(=O)OC)ccccc2	PC-id_10018534	314.419	PNZZJMZMTGIZKN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047287
OC[C@H](CCc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2)C	SCHEMBL9626922,PC-id_15020261	314.419	MJNAMIDERSESKW-AWEZNQCLSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047288
O(C(=O)c1c2-c(c(CCCCCO)c1)cccc(c2)C(C)C)C	PC-id_9995783	314.419	BKAFKZXAWGRDRB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047289
O(C(=O)c1c2-c(c(CCCCCO)c1)ccc(C(C)C)cc2)C	PC-id_10041349	314.419	XOZXODUFSDCJBT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047290
CCc1cc2-c(c(cc2C)C=Cc2ccc(cc2)C=O)c(cc1)C	PC-id_89145516	314.42	UREBVFMNEYTBBA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-047291
O=C(c1cc2c(s1)CCCCC2)OC1CCS(=O)(=O)C1	EMOLS-id_31360453,MCULE-6844144837,PC-id_47015979	314.42	FASGSKGSYOATOF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-047292
O=Cc1ccc(cc1)/C=C/c1cc(c2-c1c(C)ccc(c2)CC)C	SCHEMBL13674651	314.42	UREBVFMNEYTBBA-VAWYXSNFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-047293
O=C(O[C@@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCC2	PC-id_95048034,ZINC22_64003525	314.42	FASGSKGSYOATOF-LLVKDONJSA-N	00000010100000000100000000000010000000000000000000000000	31-01-047294
O=C(O[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCC2	PC-id_95048035,ZINC22_64003527	314.42	FASGSKGSYOATOF-NSHDSACASA-N	00000010100000000100000000000010000000000000000000000000	31-01-047295
c1coc(CN2Cc3cccn3C[C@@H](CCOCC3CC3)C2)c1	ZINC22_585095039	314.422	AUZUDCFPFMRGPG-KRWDZBQOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047296
c1coc(CN2Cc3cccn3C[C@H](CCOCC3CC3)C2)c1	ZINC22_585095040	314.422	AUZUDCFPFMRGPG-QGZVFWFLSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047297
C(CC1CN(Cc2ccco2)Cc2cccn2C1)OCC1CC1	EMOLS-id_313836069	314.422	AUZUDCFPFMRGPG-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047298
COc1ccc(cc1OC)C(C)(C)c1n[nH]c2CCCCCc12	EMOLS-id_337934103	314.422	SNCHYNPTVXZZKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047299
COCCC1CN(Cc2ccccc2OC)Cc2cccn2C1	EMOLS-id_313837352	314.422	XVKQINZXFXIZHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047300
COCCC1CN(Cc2ccc(OC)cc2)Cc2cccn2C1	EMOLS-id_313835562	314.422	YBTWMQLZAQNABW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047301
COCC[C@H]1CN(Cc2ccccc2OC)Cc2cccn2C1	ZINC22_585095571	314.422	XVKQINZXFXIZHC-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047302
COCC[C@@H]1CN(Cc2ccccc2OC)Cc2cccn2C1	ZINC22_585095572	314.422	XVKQINZXFXIZHC-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047303
COCC[C@H]1CN(Cc2ccc(OC)cc2)Cc2cccn2C1	ZINC22_585094669	314.422	YBTWMQLZAQNABW-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047304
COCC[C@@H]1CN(Cc2ccc(OC)cc2)Cc2cccn2C1	ZINC22_585094670	314.422	YBTWMQLZAQNABW-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047305
CCC/C=C/c1c(/C=C/CCC)cc2-c1cc(C#N)c(cc2)C#N	PC-id_101509433	314.423	QLXDKNDEKRARFN-FIFLTTCUSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047306
O=C(C1(CC1)S(=O)(=O)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_111071556	314.424	JDAFNWMPHZDLIR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-047307
O=C(C1CCS(=O)(=O)C1)Nc1nc2c(s1)CCCCC2	PC-id_45803428,MCULE-1139366854,EMOLS-id_30194392	314.424	CUDXBQGYFGPPPH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047308
O=C(CS(=O)(=O)C1CC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_101233234	314.424	AUTVUVODHGIWKC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-047309
O=C(N1CCCCc2c1sc(n2)C)C1CCS(=O)(=O)C1	EMOLS-id_319163530	314.424	KTDGNCYEHLNWQW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047310
O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCS(=O)(=O)C1	PC-id_52209080,ZINC22_44894798	314.424	CUDXBQGYFGPPPH-SECBINFHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047311
O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_44894800,PC-id_52209081	314.424	CUDXBQGYFGPPPH-VIFPVBQESA-N	00000010100000000101000000000010000000000000000000000000	31-01-047312
c1cc(CN2CCc3ncc(CN4CCCCC4)n3CC2)co1	ZINC22_96196879,EMOLS-id_44328691,PC-id_97467023	314.425	CPYRJRBJQKRCHH-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-047313
CC1CC1c1ccc(o1)CNCCc1nnc2n1CCCCC2	PC-id_119112392	314.425	ZLEOZFTZYRILSJ-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-047314
Cc1cc(c(n1C)C)C(=O)N(C)Cc1n[nH]c2c1CCCCC2	PC-id_135112484	314.425	SJQJAOIEXIISRS-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-047315
CC1(C)CC(NCc2nnc3n2CCCCC3)c2c(C1)occ2	MCULE-4027196997,EMOLS-id_318031723	314.425	HGZWMRGKWAQNGT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047316
CC(c1ccc(cc1)CNCc1nnc2n1CCOCC2)(C)C	MCULE-2274670734,EMOLS-id_318739569	314.425	NAAYOOANRDREAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047317
CCC1=CC(=Nc2c(C1)[nH]cc2)NC(=O)NC1CCCCC1C	PC-id_91241775	314.425	VOXRAVFIPTYPSS-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-047318
CCC(c1nnc2n1CCCCC2)NC1CCCc2c1cco2	EMOLS-id_318368045,MCULE-4093183493	314.425	PGQJLBFPQSNFMK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047319
CCC(c1nnc2n1CCCCC2)NC(c1cccc(c1)O)C	EMOLS-id_318351655	314.425	LRQFSEUMYIHWFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047320
C/C=CC(=C/C)C=Cc1nc(c2n1CCCN(C2)C)C(=O)NC	PC-id_145538434	314.425	WLLUTYCBSIXMFV-OMPQQNSUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047321
CC(COc1ccccc1NCc1nnc2n1CCCCC2)C	EMOLS-id_318138254	314.425	VVNUAOVJFKRLOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047322
O=C(NCc1n2CCCCCc2nn1)c1c([N+](=O)[O-])cccc1	PC-id_51185239	315.327	SEVICUMCALBBKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047517
CC(Oc1ccccc1NCc1nnc2n1CCCCC2)(C)C	MCULE-1360970615,EMOLS-id_318309165	314.425	XCNPNXDQSCHLMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047323
CN(Cc1ccc(C)cc1C)C1CCc2nn(C)c(=O)n2CC1	MCULE-3931214851,EMOLS-id_97041674	314.425	LDXXBBLEKCDJSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047324
CN(Cc1ccco1)Cc1cnc2CCN(CC3CC3)CCn12	EMOLS-id_44329105,PC-id_97467236,ZINC22_96197092	314.425	UKLUHQRPBXSNRO-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047325
COc1ccc(c(c1)C)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318370373	314.425	ABQJARFUZMFRLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047326
COc1ccc(cc1CNC(c1nnc2n1CCCCC2)C)C	PC-id_56807728,MCULE-5974313373	314.425	ZQWJMPHCIVWRJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047327
COc1ccc(C)cc1CN[C@H](C)c1nnc2n1CCCCC2	PC-id_95570467,ZINC22_71798585	314.425	ZQWJMPHCIVWRJC-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047328
COc1ccc(C)cc1CN[C@@H](C)c1nnc2n1CCCCC2	ZINC22_71798584,PC-id_95570466	314.425	ZQWJMPHCIVWRJC-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047329
COc1cccc(CN2CCc3ncc(CN(C)C)n3CC2)c1	ZINC22_2055772740,EMOLS-id_313780684	314.425	VZUFAQFMDRYNST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047330
COc1ccc(CN2Cc3nccn3C[C@@H](CN(C)C)C2)cc1	PC-id_97462638,ZINC22_96188195	314.425	ZAJPKOWINWUHAJ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047331
COc1ccc(CN2Cc3nccn3C[C@H](CN(C)C)C2)cc1	PC-id_97462641,ZINC22_96188198	314.425	ZAJPKOWINWUHAJ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047332
COc1ccc(CN2CCc3nnc(C(C)C)n3CC2)cc1C	ZINC22_23129355,CoCoCo_1130757,CoCoCo_1130756,PC-id_30852928,EMOLS-id_24851393,MCULE-6182747668	314.425	PYIKEPKYCLCVJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047333
COc1ccc(CN2CC(CN(C)C)Cn3ccnc3C2)cc1	EMOLS-id_44326069	314.425	ZAJPKOWINWUHAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047334
OCc1cccc(c1)C(NCCc1nnc2n1CCCCC2)C	PC-id_109877354,EMOLS-id_318148645	314.425	SYSBCXJOPSISQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047335
O=C(N1CC(CN2CCCC2)Cn2c(C1)ncc2)C1CC=CC1	PC-id_118740933	314.425	FAODEJDLELSEFX-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-047336
c1cc2n(n1)CC[C@@H](CN1CCCCC1)N(Cc1cn[nH]c1)C2	ZINC22_585098128	314.429	UMQJOKKKUVYYDC-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047337
c1cc2n(n1)CC[C@H](CN1CCCCC1)N(Cc1cn[nH]c1)C2	ZINC22_585098131	314.429	UMQJOKKKUVYYDC-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047338
C1CCCc2c(CC1)n(nn2)Cn1nnc2c1CCCCCC2	PC-id_101504284	314.429	XTWHAYJFOSLHQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047339
C1CCn2c(CC1)nnc2CN1CCCCC1Cn1cccn1	EMOLS-id_316041663,MCULE-6544876595	314.429	INRULGYFBRBBCW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047340
C1CCN(C1)CCN1CCc2n(CC1)c(cn2)Cn1cccn1	PC-id_97390221	314.429	VIECCEXBMZSKCP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047341
c1cn(C[C@@H]2CCCN(Cc3cc4n(n3)CCCNC4)C2)cn1	PC-id_95716157,ZINC22_72146793	314.429	PGIXSXGSURLFAO-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047342
c1cn(C[C@H]2CCCN(Cc3cc4n(n3)CCCNC4)C2)cn1	ZINC22_72146794,PC-id_95716158	314.429	PGIXSXGSURLFAO-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047343
c1cnn(C[C@@H]2CCCCN2Cc2nnc3n2CCCCC3)c1	ZINC22_372582413	314.429	INRULGYFBRBBCW-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047344
c1cnn(C[C@H]2CCCCN2Cc2nnc3n2CCCCC3)c1	ZINC22_372582414	314.429	INRULGYFBRBBCW-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047345
C(C1CCn2nccc2CN1Cc1cn[nH]c1)N1CCCCC1	EMOLS-id_313816359	314.429	UMQJOKKKUVYYDC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047346
Cc1[nH]nc(c1C1CCCN1Cc1nnc2n1CCCCC2)C	MCULE-1749774099,EMOLS-id_98728365	314.429	DHOWYMFRNIHDHK-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047347
Cc1n[nH]c(c1)C1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_110998951	314.429	SFVAMUJWPYQQPT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-047348
Cc1n[nH]cc1C1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_318715731	314.429	YZWUTQBDXRHKAF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-047349
Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1nnc2n1CCCCC2	ZINC22_329137426	314.429	DHOWYMFRNIHDHK-AWEZNQCLSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047350
Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1nnc2n1CCCCC2	ZINC22_329137431	314.429	DHOWYMFRNIHDHK-CQSZACIVSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047351
CC(c1ncc(cn1)CNCc1nnc2n1CCCCC2)(C)C	EMOLS-id_318084619,MCULE-3379410559	314.429	OUGDPBLGAGIGRY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047352
C(Cc1nnc2CCCCCn12)Cc1nnc2CCCCCn12	MCULE-5247640396,EMOLS-id_313495362	314.429	LZKDZOWGHSBXBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047353
CCC(c1nc(NCc2nnc3n2CCCCC3)cc(n1)C)C	EMOLS-id_319923868,MCULE-8024490506	314.429	YBNPLODVFWTJAH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047354
CCC(c1nnc2n1CCCCC2)NC1CCCn2c1ccn2	MCULE-8116871893,EMOLS-id_318139811	314.429	VERMNMWLWSCPPA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047355
CCC(c1nnc2n1CCCCC2)NC(Cc1nccnc1)C	EMOLS-id_317994322	314.429	XRNZPEGIGZXCKW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047356
CC(C)N(C)Cc1nnc2CCN(Cc3ccccn3)CCn12	ZINC22_96058955,PC-id_97381611,EMOLS-id_46148207	314.429	KJDJKGRYQQFHNG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047357
CC(C)N(C)Cc1nnc2CCN(Cc3cccnc3)CCn12	PC-id_97381612,EMOLS-id_46148209,ZINC22_96058956	314.429	AFESEHYIJVTQOZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047358
CC(C)N(C)Cc1nnc2CCN(Cc3ccncc3)CCn12	PC-id_97381613,EMOLS-id_46148211,ZINC22_96058957	314.429	WHKDPIZDVLMLHR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047359
CC(C)N(C)Cc1nnn2c1CN(Cc1cccnc1)CCC2	EMOLS-id_46182401,ZINC22_96084689,PC-id_97405512	314.429	PZPLFKQLJXHGCJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047360
Cn1cc2c(n1)CCCC2NCCc1nnc2n1CCCCC2	MCULE-5843162871,EMOLS-id_318078688	314.429	GFUCTDXYBWWMPW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047361
C(N1CCCC(Cn2ccnc2)C1)c1cc2CNCCCn2n1	MCULE-2620241112,PC-id_56892847,EMOLS-id_43101261	314.429	PGIXSXGSURLFAO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047362
Cn1cc(CN2Cc3nccn3C[C@@H](CN3CCCC3)C2)cn1	PC-id_97462784,ZINC22_96188345	314.429	NQOKCPOFUYVNMR-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047363
Cn1cc(CN2Cc3nccn3C[C@H](CN3CCCC3)C2)cn1	ZINC22_96188344,PC-id_97462783	314.429	NQOKCPOFUYVNMR-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047364
Cn1cc(CN2CCc3ncc(CN4CCCC4)n3CC2)cn1	EMOLS-id_46340175,PC-id_97415877,ZINC22_96100552	314.429	KYZPDFYLVCNCSM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047365
Cn1cc(CN2CC(CN3CCCC3)Cn3ccnc3C2)cn1	EMOLS-id_44326185	314.429	NQOKCPOFUYVNMR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047366
Cn1ccnc1CN1CCc2ncc(CN3CCCC3)n2CC1	ZINC22_96196852,PC-id_97466996,EMOLS-id_44328637	314.429	OMVDZIFUGZALPL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047367
Cn1ncc2c1CCCC2NCCc1nnc2n1CCCCC2	MCULE-9776482655,EMOLS-id_318151747	314.429	KJIUIAXKGFNYRW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047368
CN(Cc1cc2CNCCn2n1)Cc1n[nH]c2CCCCCc12	MCULE-7787075868,PC-id_56901314,ZINC22_72144853,EMOLS-id_43133957	314.429	MEMHMENGRMSBRB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047369
S(CCc1c2-c(c(c1)C(=O)O)ccccc2)CCC=CCC	PC-id_85570874	314.442	PYSRRZARGCPJQA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047370
CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](CCOC)C1	ZINC22_585095549	314.444	WPWYOXBDWHNPOK-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047371
CCS(=O)(=O)CCN1Cc2cccn2C[C@H](CCOC)C1	ZINC22_585095550	314.444	WPWYOXBDWHNPOK-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047372
CCS(=O)(=O)CCN1CC(CCOC)Cn2cccc2C1	EMOLS-id_313838887	314.444	WPWYOXBDWHNPOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047373
c1(c2CCCCCc2sc1N)C(=O)Nc1ccc(cc1C)C	EMOLS-id_6256195,PC-id_724257,ZINC22_130362,TIMTEC36384,CoCoCo_5983904,MCULE-7591412618	314.445	YGOQIBDUDJUTMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047374
c1(c2CCCCCCc2sc1N)C(=O)Nc1ccccc1C	EMOLS-id_3785216,MCULE-8610147230,CoCoCo_6803665,ZINC22_2558518,PC-id_17370837,TIMTEC478491	314.445	UJLBSIVWJRLEIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047375
c1(c2CCCCCCc2sc1N)C(=O)Nc1ccc(cc1)C	TIMTEC513321,ZINC22_2558516,PC-id_17370899,CoCoCo_6804494,EMOLS-id_3785212,MCULE-1988215389	314.445	VWIODHZJOQEKOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047376
c1(c2CCCCCCc2sc1N)C(=O)Nc1cccc(C)c1	MCULE-2810447789,TIMTEC393154,PC-id_17371421,ZINC22_2558517,CoCoCo_6805521,EMOLS-id_3785214	314.445	PYHBHSFNJCBCSH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047377
c1(cc2c(CCCCC2)s1)C(=O)N(CC)Cc1ccncc1	ZINC22_6715111,CoCoCo_1049046,MCULE-6079630225,EMOLS-id_2547004,PC-id_6468030,TIMTEC270175	314.445	KQXMDZMXSICIDE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047378
c1(cc2c(CCCCCC2)s1)C(=O)NC(C)c1ccncc1	MCULE-9032677194,TIMTEC488679,PC-id_25236498,EMOLS-id_20383973	314.445	UUTUKLVEVXYMHC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047379
c1(C(=O)NCc2ccccc2)c2CCCCCCc2sc1N	PC-id_4511669,CoCoCo_6799112,TIMTEC63205,EMOLS-id_29552590,ZINC22_6885181,MCULE-8228442098	314.445	AULPELSWYZFVLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047380
c1(NC(=O)Cc2ccc(c(C)c2)C)sc2c(CCCCC2)n1	EMOLS-id_334603376,MCULE-2345055475	314.445	LXTBDYSJWAXYAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047381
c1(NC(=O)Cc2cc(C)ccc2C)sc2c(CCCCC2)n1	MCULE-6936931826,EMOLS-id_334605680	314.445	WTRBWGIYELNYET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047382
c1(NC(=O)CC(C)c2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_323453247,MCULE-9238671119	314.445	SDBSIIMDUDLQDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047383
c1(NC(=O)CCCc2ccccc2)sc2c(CCCCC2)n1	MCULE-6842726733,EMOLS-id_323425824	314.445	PLLOQEXIZWCFHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047384
c1(sc2c(CCCCC2)n1)NC(=O)C(CC)c1ccccc1	PC-id_46696557,EMOLS-id_323466784,MCULE-1012556228	314.445	HAYAJMYQNUXNBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047385
CC(c1ccccn1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_43815570,MCULE-1023700880,PC-id_43007005	314.445	KPNCBMXHVCRECC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047386
C/C=C/1C(=C(N(C)C)/C)C(=O)/C(=C/C=Cc2c(c1ns2)C)/C	PC-id_142164030	314.445	LXPJDDCDWJOANP-ZTZONELSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-047387
CC(C(C(=O)N1CCCc2c(C1)ccs2)c1cccnc1)C	EMOLS-id_318230850	314.445	HJNXMUGPIMPWPN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047388
CC(C)/N=c/1ccccn1C(=O)c1cc2c(s1)CCCCC2	PC-id_24644103,ZINC22_101903903	314.445	QSYDMFOLYVDWPY-HTXNQAPBSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047389
C[C@@H]1c2cccn2CCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_37448823,ZINC22_30263661	314.445	FLNHWCRFLLDRLD-CYBMUJFWSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047390
C[C@H]1c2cccn2CCN1C(=O)c1cc2c(s1)CCCCC2	ZINC22_30263658,PC-id_37448820	314.445	FLNHWCRFLLDRLD-ZDUSSCGKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047391
C[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccn1	ZINC22_28779007,CoCoCo_3228345,PC-id_35937036	314.445	KPNCBMXHVCRECC-CYBMUJFWSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047392
C[C@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccn1	ZINC22_28779011,CoCoCo_3228346,PC-id_35937041	314.445	KPNCBMXHVCRECC-ZDUSSCGKSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047393
C[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccncc1	CoCoCo_1073190,PC-id_40676680,ZINC22_7184623	314.445	UUTUKLVEVXYMHC-CYBMUJFWSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047394
C[C@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccncc1	ZINC22_7184620,CoCoCo_1073191,PC-id_40676679	314.445	UUTUKLVEVXYMHC-ZDUSSCGKSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047395
CC(N=c1ccccn1C(=O)c1cc2c(s1)CCCCC2)C	MCULE-2750708215,EMOLS-id_30690626	314.445	QSYDMFOLYVDWPY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047396
CC(Oc1ccc(cc1)/C=C/c1nc2c(s1)NCCCC2)C	PC-id_15069489,SCHEMBL8316802	314.445	FRRZHDOZHCHMTQ-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047397
CNCc1ccccc1NC(=O)c1cc2c(s1)CCCCC2	PC-id_119437896	314.445	CTRPBEYLBGPPIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047398
CNCc1cccc(c1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_119441004,EMOLS-id_302684659,MCULE-6345333558	314.445	IZUMYYJBBYKNLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047399
CNCc1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_121648752	314.445	FIJVRKKSQZADCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047400
CNCCc1ccccc1C(=O)N1CCCc2c(C1)ccs2	MCULE-7028099607,EMOLS-id_318325686	314.445	FGXVDLRYXCPAFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047401
CN(C(C(=O)N1CCCc2c(C1)ccs2)c1ccccc1)C	EMOLS-id_318208725	314.445	DCZHVIVVTPGQQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047402
CNC(C(=O)N1CCCc2c(C1)ccs2)Cc1ccccc1	MCULE-9425993911	314.445	ZFKLDIZHYHTHLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047403
Nc1ccc(cc1)CCNC(=O)c1cc2c(s1)CCCCC2	PC-id_119548067	314.445	GREZLBAYUHYOCD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047404
Nc1ccc(c(c1)NC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_120568154	314.445	DSMZKPJWZSHLOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047405
NC(CNC(=O)c1cc2CCCCCc2s1)c1ccccc1	PC-id_119528019,EMOLS-id_301277422,MCULE-3145817260	314.445	JVSLEZJYPVFYLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047406
O=C(N1CCCc2c(C1)ccs2)CCC(c1ccccc1)N	EMOLS-id_318054042,MCULE-7305171365	314.445	PZYIBJLJILIYBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047407
O=C(N1CCCc2c(C1)ccs2)CCNc1ccccc1C	EMOLS-id_318065775,MCULE-4223593783	314.445	KITOSGMXLNORQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047408
O=C(N1CCCc2c(C1)ccs2)[C@@H](CCc1ccccc1)N	EMOLS-id_318516097,MCULE-4624365887	314.445	CBYBJQYUGWMNCB-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047409
O=C(N1CCCc2c(C1)ccs2)[C@H](CCc1ccccc1)N	EMOLS-id_318627057,MCULE-7692673422	314.445	CBYBJQYUGWMNCB-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047410
O=C(N1CCCc2c(C1)ccs2)CNc1c(C)cccc1C	MCULE-6049382124,EMOLS-id_318248176	314.445	OMFVWVSOEUTFEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047411
O=C(N1CCn2c(C1C)ccc2)c1cc2c(s1)CCCCC2	MCULE-6995212334,PC-id_47022065,EMOLS-id_30714551	314.445	FLNHWCRFLLDRLD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047412
O=C(NCCc1ccccn1)c1cc2c(s1)CCCCCC2	ZINC22_12539143,PC-id_25344979,CoCoCo_3868126,EMOLS-id_24107777,MCULE-8545081000	314.445	SCLWGEUIWBRSCP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047413
O=C(NCCc1cccnc1)c1cc2c(s1)CCCCCC2	ZINC22_32349044,PC-id_39560992,EMOLS-id_23989818,CoCoCo_4697720,MCULE-7205036078	314.445	JUUUTNREPYKMEK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047414
s1c2c(CCCCC2)c(c1N)C(=O)NCc1ccc(cc1)C	PC-id_20109804	314.445	JGJCRVZSOYFDDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047415
s1c2CCCCCc2nc1NC(=O)C(c1ccccc1)(C)C	PC-id_55507504	314.445	KVDZDJNWFXQPAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047416
s1c2CCCCCCc2cc1C(=O)N(Cc1cccnc1)C	PC-id_78770567	314.445	YFSBYRROBZCPQA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047417
s1c2CCCCCCc2cc1C(=O)N(Cc1ncccc1)C	PC-id_52726354	314.445	IHHDDCXFRONBPV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047418
s1c2NCCCCc2nc1C=Cc1ccc(OC(C)C)cc1	PC-id_53815004	314.445	FRRZHDOZHCHMTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047419
s1c(NC(=O)C2C3CC(C2)CC3)c(c2c1CCCCC2)C#N	PC-id_5076239	314.445	YXHJZWPWTWZKTR-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-047420
CCCN(S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)CCC	EMOLS-id_319436982	314.447	XAHXJEYTYAKYLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047421
CCS(=O)(=O)CC(NC(c1nnc2n1CCCCC2)C)C	PC-id_115900710	314.447	ULBOZUXQZWQZDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047422
CCS(=O)(=O)NCC(C)NCc1n[nH]c2CCCCCc12	EMOLS-id_232848513,MCULE-6436582304	314.447	PXRPMMLRULBBRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047423
CCS(=O)(=O)NC[C@@H](C)NCc1n[nH]c2c1CCCCC2	ZINC22_823412748	314.447	PXRPMMLRULBBRS-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047424
CCS(=O)(=O)NC[C@H](C)NCc1n[nH]c2c1CCCCC2	ZINC22_823412749	314.447	PXRPMMLRULBBRS-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-047425
O=S(=O)(Nc1nc2c(s1)CCCCC2)c1cccs1	MCULE-7752190516,PC-id_136546671,ZINC22_73341076,EMOLS-id_110211502	314.447	CYYVRKAELDWCSA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047426
CC(C)(C)[Si](C)(C)Oc1c(c2-c(ccccc2)c1C=O)C=O	SCHEMBL14932709,PC-id_89554611	314.451	AFYXCOMPTIMCOP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047427
CC(=O)NC1CCCCn2c(=S)sc(CCOC1)c2C	PC-id_101926074	314.467	CCCOTYFRLOWGNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047431
CN(C1CCCCn2c(=S)sc(CCOC1=O)c2C)C	PC-id_101920836	314.467	SDHCBENWXKNNPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047432
C[S@@](=O)CCNC(=O)NCc1cc2c(s1)CCCCC2	PC-id_97214364,ZINC22_95398070	314.467	IUGUMESPQRLBGK-HXUWFJFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-047433
C[S@](=O)CCNC(=O)NCc1cc2c(s1)CCCCC2	PC-id_97214365,ZINC22_95398071	314.467	IUGUMESPQRLBGK-FQEVSTJZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-047434
O=C(NCc1cc2c(s1)CCCCC2)NCCS(=O)C	EMOLS-id_48236414,MCULE-1970006992,PC-id_75372059	314.467	IUGUMESPQRLBGK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-047435
s1c2c(n(CCCC[C@H](N(C)C)C(=O)OCC2)c1=S)C	PC-id_10245133	314.467	SDHCBENWXKNNPR-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-047436
CC(NCc1c[nH]c2c1N=C(C=CCC2)N(C1CCCC1)C)C	PC-id_143854091	314.468	WEEMOTRCGCBKMT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047437
CCc1c2-c(ccccc2)c(c1O[Si](C)(C)C(C)(C)C)C=O	PC-id_89554574,SCHEMBL14932663	314.494	BUBMTWSDXBPFHX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047438
s1sc(=S)c2CCCCCCCCCCCCCc12	PC-id_23275269	314.573	UWZZFAAERAPWGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047439
C1CCc2nnc(n2CC1)/C(=C(/c1ccccc1Cl)O)/C#N	PC-id_135608101	314.769	SMPBJNXNKWDZCT-QINSGFPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047440
C1CCc2nnc(n2CC1)C(=Cc1cc(c(cc1)O)Cl)C#N	EMOLS-id_32114727,MCULE-1686897850,PC-id_136227236	314.769	ZIQFDDHTROALCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047441
C1CCc2nnc(n2CC1)/C(=Cc1cc(c(cc1)O)Cl)/C#N	PC-id_136024094	314.769	ZIQFDDHTROALCV-WQLSENKSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047442
C1CCc2nnc(n2CC1)/C(=C/c1cc(c(cc1)O)Cl)/C#N	PC-id_136730778	314.769	ZIQFDDHTROALCV-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047443
ClC1=C/C(=C/C(=C/N3CCCCCC3=NN2)/C#N)/C=CC1=O	PC-id_51095095	314.77	AGWCIJYXFPQKFN-NJAVVXAXSA-N	00000011000011000111000000000010000000000000000000000000	31-01-047444
ClC1=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=CC1=O	PC-id_75613746	314.77	AGWCIJYXFPQKFN-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-047445
Clc1c(C(=O)C(c2n3CCCCCc3nn2)C#N)cccc1	PC-id_24124042	314.77	NAQMRXLBRHFKNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047446
Clc1c(C(=O)C(=C2N3CCCCCC3=NN2)C#N)cccc1	PC-id_6837916	314.77	VEMLQYGMGNZXHS-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-047447
N#Cc1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101678246	314.77	HDIBVUQCVMNUBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047448
N#Cc1cc(Cl)ccc1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_278192642	314.77	WDMGFBNTQRVEEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047449
N#CC/C(=C/C)/C=CC(c1oc2c(n1)CC=C(C=CC2)Cl)C	PC-id_142880420	314.809	HUWUWCPYEMAXEK-ARLNLNQOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-047450
O=Cc1sc(nc1Cl)Sc1nnc2n1CCCCC2	PC-id_113221109	314.814	BUOGBXIMQXSAIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047451
c1(NC(=O)CCCCl)sc2c(CCCCC2)c1C(=O)N	PC-id_3636901,MCULE-5914114536,EMOLS-id_5392074,SPECS-id_AL-281/40679270	314.831	VDEHJGCZEAIDDJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-047452
ClCCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)N	PC-id_4389109	314.831	JBRXZXVPHAERGV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-047453
Cl/C(=C(c1cccnc1)/C#N)/c1sc2CCCCCc2c1	PC-id_80522364	314.832	VRSMXPSWGBZXNI-VKAVYKQESA-N	00000000100000101100000000000010000000000000000000000000	31-01-047454
Cl/C(=C(c1ccncc1)/C#N)/c1sc2CCCCCc2c1	PC-id_80525304	314.832	AALGWWDPVOUUPG-VKAVYKQESA-N	00000000100000101100000000000010000000000000000000000000	31-01-047455
c1(NC(=O)CCl)sc2c(CCCCCCCCCC2)n1	MCULE-5553119440,PC-id_56923537,EMOLS-id_43012484	314.874	JUDISDBOGYZQAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047456
C1CCC2=C(CC1)SC(=C2C(=O)C3=CC=C(C=C3)C(=O)O)N	PC-id_153798116	315.093	NXLSNQQPRWPQJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047457
CC1=C(C=CC(=C1)C(=O)O)C(=O)N2CCCCC3=C2C=CS3	PC-id_154366188	315.093	GVCFTFZBUQHJEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047458
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=NNC(=O)N4CC3	PC-id_154685808	315.115	PTWATHFVDUBYHM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047459
CC(C1=CC2=C(CCO2)C=C1)N3CCC4=C(CC3)SC(=N4)N	PC-id_154685741	315.141	FZJGUCGAOVMBAW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047460
COC(=O)C1=CC=C(C=C1)COC2CCCCCC3=NNN=C23	PC-id_155054627	315.158	BJOKQHNYVSGCEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047461
P(=O)([O-])([O-])COCCn1c2c(nc1)c(=O)nc([nH]c2=O)N	PC-id_21857933	315.179	JCGMLVMDXOSEQL-UHFFFAOYSA-L	00000000100000000111000000000010000000000000000000000000	31-01-047462
CC(C)(C)OC(=O)N1CCCn2cc(Br)cc2C1	EMOLS-id_331159533	315.206	FOLUEQAMXKHGIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047463
BrCCC(=O)NC(c1nnc2n1CCCCC2)C	PC-id_113385197,EMOLS-id_315860591	315.209	TZIVSVSWOUETDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047464
CC(C(=O)NC(c1nnc2n1CCCCC2)C)Br	PC-id_114014365	315.209	JXECXNCTIMKEGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047465
O=c1nc(ccn1Cc1nnc2n1CCOCC2)C(F)(F)F	MCULE-5484282407,EMOLS-id_317026583	315.251	RNHJQYKFOZWWCB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047466
O=C(c1[nH]nc(c1)C(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102177869	315.254	YYOQCCKEVJEXIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047467
O1CCOCCOC(=O)c2onc(c2)C(=O)OCCOCC1	PC-id_573865	315.276	JONHCNATWQYCDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047468
O1CCOCCOC(=O)c2[nH]nc(n2)C(=O)OCCOCC1	PC-id_13466644	315.279	UBJOZYNQXUQYLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047469
O(C(=O)c1c2-c(c(c1[N+]#N)C(=O)OCC)ccc(O)cc2)CC	PC-id_598300	315.301	MXIFEOYDIGRKLQ-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-047470
C1C(c2c(NC=N1)n(cn2)CCOc1cccc(c1)C(=O)[O-])O	BindingDB_PC-id_91931327,PC-id_91931327	315.304	QTLYKVYIGUSASN-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-047471
C1C(c2c(NC=N1)n(cn2)CCOc1ccccc1C(=O)[O-])O	BindingDB_PC-id_91931334,PC-id_91931334	315.304	ROJINXWZZMSWRW-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-047472
C1COCCn2c1nnc2Cn1nc(nn1)c1cc(ccc1)F	PC-id_136552887	315.306	GCSVLMFUONCSQU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-047473
Fc1cc2[nH]cnc2c(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164488	315.306	AMLINHLLAZNWGF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047474
N#Cc1ccc(cc1F)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102016696	315.306	AVNUAEVJYOHBJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047475
N#Cc1cc(ccc1F)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102020293	315.306	CTMDALXHIONIJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047476
N#Cc1cc(F)ccc1NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102001653	315.306	ANRHUDMYWLVWOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047477
CC(C1CC(Oc2c(O1)c[se]c2)C(C)(C)C)(C)C	PC-id_140593255	315.31	LEJJEZOYIBINEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047478
CCCCC1(CCCC)COc2c(OC1)c[se]c2	PC-id_101536359	315.31	PYYQUADBFYFKIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047479
O=C1/C=CCCN(Cc2c(/C=C
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O=C1/C=CCCN(Cc2c(/C=C
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O=C(c1scc(c1)C(F)(F)F)N1CCCc2c(C1)cco2	MCULE-3599880494,EMOLS-id_319923483	315.311	BOECQWXHWWBXQI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-047482
FC(F)(F)c1ccnc(Sc2nnc3n2CCCCC3)n1	PC-id_31537093,EMOLS-id_45634910,MCULE-1312384349,ZINC22_24055425	315.317	JHCHPKTXWSUZJP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047483
COc1ccc(cc1)NC(=O)Oc1coc2c1C(=O)CCCC2	PC-id_69944651,SCHEMBL6948393	315.321	QYRDQBLJLATONQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047484
COC1=CC=CCc2c1c(c[nH]2)C=C1C(=O)OC(OC1=O)(C)C	PC-id_143148016	315.321	SMTACJNDBZICCI-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-047485
O=CNc1c(C(=O)OCC)c2-c(c1C(=O)OCC)ccccc2	PC-id_101396537	315.321	LXISVYWASBDSIT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047486
O=C(NC(CCC(=O)O)C(=O)O)c1c2-c(cc1)c(cccc2)C	PC-id_74329565	315.321	CGYRESCEGISWMC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047487
O=C(N[C@@H](CCC(=O)O)C(=O)O)c1c2-c(cc1)c(cccc2)C	PC-id_24838436,SCHEMBL9411904	315.321	CGYRESCEGISWMC-AWEZNQCLSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047488
OC(=O)c1cc2CN(CCCc2o1)C(=O)OCc1ccccc1	EMOLS-id_329988876	315.321	QJBVSYNNMYEWEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047489
OC(=O)COc1ccc(cc1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_318621052,MCULE-5723696257	315.321	MWWAHDZCLHXPMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047490
OC(=O)COc1cccc(c1)C(=O)N1CCCc2c(C1)cco2	MCULE-6383789158,EMOLS-id_318740696	315.321	HSTHUSPPFMSVEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047491
O=C1Nc2c(C1=Cc1c3-c(c(c1)C(=O)O)ccccc3)cccc2	PC-id_25264068	315.322	MUFYCASCRMJRJZ-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-047492
C1Cn2cc(nc2CNC1OC(=O)OCc1ccccc1)C=O	SCHEMBL4436369,PC-id_87669475	315.324	WSROLDIYUOJMMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047493
c1(C(=O)Nc2cccc(c2C)N(=O)=O)c2CCCCCc2on1	MCULE-9155273686,ZINC22_20295814,PC-id_17254348,TIMTEC544833,EMOLS-id_21980631	315.324	XFQDKNUYNWRGRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047494
COc1cc(ccc1[N+](=O)[O-])C(=O)N1CCCCc2c1cc[nH]2	PC-id_101942644	315.324	QEACWFKMBXKXSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047495
COc1ccnc(N(C)C(=O)c2coc3c2C(=O)NCCC3)c1	ZINC22_905969980,MCULE-6852207869,EMOLS-id_316979193	315.324	DIZWQPFNCMAAOZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047496
COc1ncc(C)cc1NC(=O)c1cc2c(o1)CCCNC2=O	ZINC22_2325771272	315.324	UZHYZBDGGITOLH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047497
COC(=O)c1nn2c(c1OCc1ccccc1)C(=O)NCCC2	SCHEMBL4199689,PC-id_68952653	315.324	XRGOBGKAKJNWLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047498
O=C(c1coc2c1C(=O)NCCC2)N1CCC(C1)c1nocc1	EMOLS-id_319530482	315.324	QPKGIHKQSONFRA-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047499
O=C(c1coc2c1C(=O)NCCC2)N1CCC[C@H]1c1nocc1	EMOLS-id_319702708	315.324	VFNQEJPINZDLOQ-LBPRGKRZSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047500
O=C(C1NCc2n(CC1)cc(n2)C(=O)O)OCc1ccccc1	PC-id_140765343	315.324	HAGAHVWLVLUNJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047501
O=C(N1CCn2c(CC1)cc(n2)C(=O)O)OCc1ccccc1	PC-id_118394542,SCHEMBL17112982	315.324	XHZPEFAGNSUZNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047502
O=C(N1CCn2c(CC1)nc(c2)C(=O)O)OCc1ccccc1	PC-id_118404835,SCHEMBL17125406	315.324	CFDHAQILRDMKOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047503
OC(=O)c1cc2CN(CCCn2n1)C(=O)OCc1ccccc1	EMOLS-id_330000391	315.324	HITFGKQZNFQBDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047504
OC(=O)C1CN(Cc2ccnn2C1)C(=O)OCc1ccccc1	EMOLS-id_329953008	315.324	GLMRGEIOMPMASC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047505
OC(=O)C1CN(Cc2nccn2C1)C(=O)OCc1ccccc1	EMOLS-id_329943280	315.324	GOHHRUMHFQCUJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047506
c12C(CCCCn1nnn2)C(=O)NCc1ccc2c(OCO2)c1	MCULE-4297088090,PC-id_74244124,EMOLS-id_49667514	315.327	XOBJFXITYQWZIJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047507
c1(C(=O)OC)cc2n(CCCN(C(=O)c3ccc(nc3)N)C2)n1	EMOLS-id_32392170,PC-id_50960787,ZINC22_65397036,MCULE-6219287339	315.327	RZMGKPLPZGKQPU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047508
COC(=O)C1CCc2n(CC1)c(nn2)C(=O)Nc1ccccn1	PC-id_136557125,MCULE-9354171396,EMOLS-id_316948558	315.327	XOSCSMODJLJCTD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047509
COC(=O)c1nccc(n1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_278167117	315.327	BCTAIAYBSVGKMD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047510
COC(=O)[C@H]1CCc2nnc(C(=O)Nc3ccccn3)n2CC1	ZINC22_601045397	315.327	XOSCSMODJLJCTD-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-047511
COC(=O)[C@@H]1CCc2nnc(C(=O)Nc3ccccn3)n2CC1	ZINC22_601045398	315.327	XOSCSMODJLJCTD-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047512
O=C(c1cc(cnc1C)[N+](=O)[O-])N1CCCc2c(C1)cnn2C	EMOLS-id_112009703	315.327	JSJYQKSTMMQNPZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047513
O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCCn2nnnc12	ZINC22_97675574,PC-id_97934265	315.327	XOBJFXITYQWZIJ-LLVKDONJSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047514
O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCCn2nnnc12	ZINC22_97675575,PC-id_97934266	315.327	XOBJFXITYQWZIJ-NSHDSACASA-N	00000010100000100101000000001010000000000000000000000000	31-01-047515
O=C(NCc1n2CCCCCc2nn1)c1cc([N+](=O)[O-])ccc1	PC-id_78796578	315.327	UOXWRXDAPREPAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047516
c12CN(Cc1nc(C)[nH]c2=O)C(=O)C1CCCCn2nnnc12	PC-id_137021838,EMOLS-id_177465695,MCULE-1286605591	315.33	RZFYAESZSGSOLC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047518
Cc1nc(O)c2c(n1)CN(C(=O)[C@@H]1CCCCn3nnnc13)C2	ZINC22_584898130,PC-id_137148226	315.33	RZFYAESZSGSOLC-SECBINFHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047519
Cc1nc(O)c2c(n1)CN(C(=O)[C@H]1CCCCn3nnnc13)C2	ZINC22_584898131,PC-id_137148227	315.33	RZFYAESZSGSOLC-VIFPVBQESA-N	00000010100000100101000000001010000000000000000000000000	31-01-047520
CCn1cnc(n1)C(=O)/N=CC1CCn2c(N(C1=O)C)ccn2	SCHEMBL19659218	315.33	IQNPGASYSMFISE-NVNXTCNLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047521
O=C(CNC(=O)[C@H]1CCc2nnnn2CC1)Nc1cccnc1	ZINC22_572726897	315.33	KLENLVKSWNWVFR-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-047522
O=C(CNC(=O)[C@@H]1CCc2nnnn2CC1)Nc1cccnc1	ZINC22_572726898	315.33	KLENLVKSWNWVFR-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047523
O=C(Nc1cccnc1)CNC(=O)C1CCn2c(CC1)nnn2	EMOLS-id_316879540,MCULE-9672103842	315.33	KLENLVKSWNWVFR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047524
O=C(n1cc2c(c1C(F)(F)F)CCC=CCC2)OC(C)(C)C	PC-id_138968948	315.331	HKIKMIBQJXBAPX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-047525
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCCC1)C(F)(F)F	EMOLS-id_319558040	315.334	HPHMJJYQFDLUOS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047526
COC(=O)C1CCCCn2c1ccc2C(=O)c1ccccc1F	SCHEMBL11195435,PC-id_53816368	315.339	FSQAWAJTWJHIKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047527
COC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(cc1)F	SCHEMBL11200461,PC-id_13487029	315.339	USNPRYRRKFLTMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047528
Fc1ccc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2C)cc1	SCHEMBL11201211,PC-id_20483990	315.339	VSAZSDKOJVACME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047529
Fc1c(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2C)cccc1	SCHEMBL11199349,PC-id_20483929	315.339	TXNBZJCYYBIXEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047530
NC(=O)c1nc2CCN(CCc2s1)C(=O)C1CC(F)(F)C1	EMOLS-id_313791542,ZINC22_1565553932	315.339	HLZLHGRNVWMFGS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-047531
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1Cc2c(O1)ccc(c2)F	EMOLS-id_320075211,MCULE-5953914774	315.342	AYGBWFMQSQQCRH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047532
CCOC(=O)c1c(nc2-c1ccccc2)Nn1cn[nH]c1=S	PC-id_102418862	315.35	JOHQJVSVFOQPPK-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-047533
CCOC(=O)c1c(nc2-c1ccccc2)Sc1nncn1N	PC-id_102419817	315.35	NBUYILDHIOFWOU-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-047534
N#CC(=Cc1csc(c1)[N+](=O)[O-])c1nnc2n1CCCCC2	MCULE-3896533255,EMOLS-id_300881892,PC-id_75832206	315.35	CHSVLWAMKFJSFC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047535
O=C(c1n[nH]c2c1c(=O)[nH]cn2)N1CCCc2c(C1)ccs2	EMOLS-id_318910062	315.35	RVYNLZUMWJMSRY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047536
s1cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1[N+](=O)[O-]	PC-id_52356378	315.35	CHSVLWAMKFJSFC-IZZDOVSWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047537
s1cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1[N+](=O)[O-]	PC-id_75404197	315.35	CHSVLWAMKFJSFC-WDZFZDKYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047538
S(c1n2CCCCCc2nn1)c1c(cc([N+](=O)[O-])cc1)C#N	PC-id_60356610	315.35	SEIXWJNSEMQXKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047539
O=C(c1ccc2c(c1)nsn2)NC1CCn2c(CC1)nnn2	EMOLS-id_317098298	315.354	RJNIBKMCHBMBKW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047540
O=C(c1sc2c(n1)cccn2)NC1CCn2c(CC1)nnn2	EMOLS-id_102017032	315.354	CEIFGZCITJAYQQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047541
O=C(N1CCCn2c(C1)cnn2)c1csc(n1)c1[nH]cnc1	EMOLS-id_319388970	315.354	MTMLVUHJFNAULO-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-047542
CCOC(=O)CC1CCCCc2c(C1(F)F)nnn2C(C)C	PC-id_138631922,SCHEMBL20998812	315.359	MFMPARYTHRFSIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047543
CCCc1cc2n(c1C(=O)c1ccco1)CCCCC2C(=O)O	PC-id_20484043,SCHEMBL11201146	315.364	FVBQYGSNSBKEFD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-047544
CCCc1cc(c2-c1ccc(cc2)CC(=O)NO)C(=O)OCC	PC-id_141580556	315.364	BLIRLMCVAJCLBT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047545
CCCCc1cc(c2-c1cc(ccc2)C(=O)NO)C(=O)OCC	PC-id_141580604	315.364	OYABSYDARBTMBK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047546
CCOC(=O)c1cc(c2-c1cccc(c2)C(=O)NO)CC(C)C	PC-id_141580564	315.364	UQHRRGCJBNPXQP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047547
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1ccco1)C	SCHEMBL11197476,PC-id_20483764	315.364	QVDBCEPLVJLAKJ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-047548
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1ccoc1)C	PC-id_20483758,SCHEMBL11206915	315.364	ZVMFDIYASQRPPO-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-047549
O(c1c2-c(c(CC(C)C)c1)cc(ccc2)C(=O)NOCC)C=O	PC-id_57018444	315.364	IVVXWIJOAZHTHY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047550
O(c1c2-c(c(CCCC)c1)cc(ccc2)C(=O)NOCC)C=O	PC-id_57117790	315.364	DBCQTQOHICCXBV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047551
O(c1c(c(c2-c1ccc(cc2)C(=O)NOCC)CCC)C)C=O	PC-id_57075862	315.364	LGUHHLDWERQBJL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047552
O=C(c1c(N)c(c2-c1ccccc2)C(=O)O)OC(C(C)(C)C)C	PC-id_141580560	315.364	GBHKWPOWEDUWSU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047553
C[C@H]1COCCOCCOC[C@@H](OCc2nc(CO1)n[nH]2)C	PC-id_102060671	315.365	DJAJCHVHSMMOBX-RYUDHWBXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047554
CCOC(=O)c1c(N)cc2-c1ccc(cc2)C#Cc1ccccc1	PC-id_102128320	315.365	NNAXVMZOISOWGX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-047555
N#Cc1ccc(c(c1)C(=O)N1CCCCc2c1sc(n2)C)F	EMOLS-id_319972794,MCULE-1274574158	315.365	HAAMEZVHDNVXKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047556
N#Cc1cc(ccc1F)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319623945	315.365	YOIVNSBZZLXXKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047557
N#Cc1ccc(c(c1)NC(=O)N1CCCc2c(C1)ccs2)F	EMOLS-id_319546692	315.365	KAORVMXHIPHRKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-047558
O1C(COCCOCCOCC(OCc2nc([nH]n2)C1)C)C	PC-id_21792762	315.365	DJAJCHVHSMMOBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047559
c12CCCCCn1c(C(=O)c1ccc(OC)c(OC)c1)c(N)n2	ZINC22_36559098,MCULE-7015792693,EMOLS-id_29807352,PC-id_45490259,TIMTEC94876	315.367	CDLXJKUAMRVGCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047560
c12CN(CCCc1n(nc2)C)C(=O)COc1ccccc1OC	AOP-19177717,EMOLS-id_428736,PC-id_92566451,MCULE-3206097841,ZINC22_19289639	315.367	DRUQNAXFHGLQGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047561
c12CN(CCCc1n(nc2)C)C(=O)COc1ccc(cc1)OC	PC-id_92566448,EMOLS-id_428730,ZINC22_19289636,AOP-19177714,MCULE-5272799666	315.367	AVZDLDYLTZSKNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047562
c12CN(CCCn1nc(CO)c2)C(=O)COCc1ccccc1	MCULE-2165571681,EMOLS-id_55636722,PC-id_91771994	315.367	WZIMIMZZNVWTEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047563
c12cncn1CCCN(Cc1ccccc1OCC(=O)OC)C2	ZINC22_72133913,MCULE-6754252445,EMOLS-id_43080381,PC-id_56887774	315.367	KTADYWDZYIGBCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047564
c12cnn(C)c1CCCN(C(=O)c1cc(OC)cc(OC)c1)C2	CoCoCo_446469,LEG-19035190,ZINC22_19289654,PC-id_73919669,EMOLS-id_360462,MCULE-4204190442	315.367	QORBWRDOFKGLHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047565
c1(C(O)c2ccccc2)cc2n(CCCN(CCC(=O)O)C2)n1	MCULE-4597065904,PC-id_91779906,EMOLS-id_55659588	315.367	IYRACMOHRHQNSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047566
c1(C(=O)OC)cc2n(CCCN(C2)C(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3)n1	EMOLS-id_32436878,ZINC22_65531652,PC-id_50984592,MCULE-2411518920	315.367	NUHPNOCRMHMNOH-MBNYWOFBSA-N	00000011100000000101000000000110000000000000000000000000	31-01-047567
Cc1cc(ccc1)OCc1nnc2n1CCC(CC2)C(=O)OC	MCULE-8318658774,PC-id_136557178,EMOLS-id_316954433	315.367	IPZIKUJNGBZINM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047568
Cc1ccc(cc1)OCc1nnc2n1CCC(CC2)C(=O)OC	PC-id_136557158,EMOLS-id_316953408,MCULE-2477220049	315.367	ZHFDOLVWTXJNSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047569
Cc1ccccc1OCC(=O)N1Cc2ccnn2CCC1CO	EMOLS-id_313742261	315.367	MGNXPZJFEBTJKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047570
Cc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585097481	315.367	MGNXPZJFEBTJKP-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047571
Cc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585097483	315.367	MGNXPZJFEBTJKP-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047572
Cc1cc(C)c(CNC(=O)N2CCCc3occc3C2)c(O)n1	MCULE-1926852866,ZINC22_292189470,EMOLS-id_316845545	315.367	BWRFAVZKBSTAFY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047573
Cc1ccc(OC(=O)Cn2nc3n(c2=O)CCCCC3)c(C)c1	MCULE-9029206693,PC-id_86925410,ZINC22_79143120,EMOLS-id_50302553	315.367	AYFLWAGBHBQLHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047574
Cc1ccoc1C(=O)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_585099011	315.367	AXIKHNAFCDCJOR-HNNXBMFYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047575
Cc1ccoc1C(=O)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_585099012	315.367	AXIKHNAFCDCJOR-OAHLLOKOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047576
Cc1ccoc1C(=O)N1CC(Cn2nccc2C1)OCC1CC1	EMOLS-id_313813284	315.367	AXIKHNAFCDCJOR-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047577
CC1CN(CC(O1)(C)C)C(=O)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_319362856	315.367	BMCCDCBJKHMDTG-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-047578
Cc1nn(c2c1CN(C(CO2)COc1ccccc1)C(=O)C)C	PC-id_136590220,EMOLS-id_323937774	315.367	PUVDPBPIFQUINZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047579
Cc1noc(c1)C1CCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_100940226	315.367	NZINRYDBKJFBJM-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047580
Cc1occc1C(=O)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_248048521	315.367	WDNOJBOAEFMYKA-HNNXBMFYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047581
Cc1occc1C(=O)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_248048523	315.367	WDNOJBOAEFMYKA-OAHLLOKOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047582
Cc1occc1C(=O)N1CC(Cn2nccc2C1)OCC1CC1	EMOLS-id_50007148	315.367	WDNOJBOAEFMYKA-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047583
CCCn1cc(NC(=O)c2noc3c2CCCCC3)ccc1=O	ZINC22_97102942,PC-id_86802799	315.367	JDMJHTUBXRIGRR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047584
C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCc4occc4C3)n[nH]c12	MCULE-2014170259,PC-id_146115530,EMOLS-id_323989731,ZINC22_1875394984	315.367	FGSXWOLHUYFTRZ-MNOVXSKESA-N	00000000100010000101000000010010000000000000000000000000	31-01-047585
CCn1cccc(c1=O)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_99939792	315.367	IDGNQFDFUZGWMG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047586
CCOCC(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575406367	315.367	NRZIGBHOTVSOJJ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047587
CCOCC(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575406368	315.367	NRZIGBHOTVSOJJ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047588
CCOCC(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751707	315.367	NRZIGBHOTVSOJJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047589
CCOC(=O)c1cc2n(c1)CCCN(C2)C(=O)c1cccn1C	SCHEMBL2528012,PC-id_58465801	315.367	DWQSUVBRWQPOOU-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-047590
CC(=O)N1Cc2cccn2C[C@H](CC(=O)NCc2ccco2)C1	ZINC22_585099167	315.367	RAXUTIOOEUIKRP-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-047591
CC(=O)N1Cc2cccn2C[C@@H](CC(=O)NCc2ccco2)C1	ZINC22_585099168	315.367	RAXUTIOOEUIKRP-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-047592
CC(=O)N1CC(CC(=O)NCc2ccco2)Cn2cccc2C1	EMOLS-id_313807150	315.367	RAXUTIOOEUIKRP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-047593
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1ccoc1C	EMOLS-id_313813025	315.367	DASYNWHFFHJVJA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-047594
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1occc1C	EMOLS-id_313811489	315.367	CZTLHTDBMCEGJF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-047595
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)Cc1ccco1	EMOLS-id_313809454	315.367	VUQZWXRBVHJZSU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-047596
CNC(=O)C[C@H]1CN(C(=O)c2ccoc2C)Cc2cccn2C1	ZINC22_585099031	315.367	DASYNWHFFHJVJA-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-047597
CNC(=O)C[C@@H]1CN(C(=O)c2ccoc2C)Cc2cccn2C1	ZINC22_585099032	315.367	DASYNWHFFHJVJA-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-047598
CNC(=O)C[C@H]1CN(C(=O)c2occc2C)Cc2cccn2C1	ZINC22_585099027	315.367	CZTLHTDBMCEGJF-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-047599
CNC(=O)C[C@@H]1CN(C(=O)c2occc2C)Cc2cccn2C1	ZINC22_585099028	315.367	CZTLHTDBMCEGJF-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-047600
CNC(=O)C[C@H]1CN(C(=O)Cc2ccco2)Cc2cccn2C1	ZINC22_585099217	315.367	VUQZWXRBVHJZSU-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-047601
CNC(=O)C[C@@H]1CN(C(=O)Cc2ccco2)Cc2cccn2C1	ZINC22_585099218	315.367	VUQZWXRBVHJZSU-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-047602
COc1ccccc1Cc1nnc2n1CCC(CC2)C(=O)OC	PC-id_136557137,MCULE-4088438142,EMOLS-id_316951630	315.367	NSCIPTCOEYTFMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047603
COc1cccc(c1)C(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)O	EMOLS-id_318809402	315.367	JFXDSWPWTUCDMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047604
COc1ccc(cc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)OC	EMOLS-id_318879279	315.367	XZLSDCOQKARPQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047605
COc1cccc(c1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)OC	EMOLS-id_319409199	315.367	QSHMGUKKBDLUCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047606
COc1cc(cc(c1)OC)CN1C(=O)CCCn2c1cc(n2)C	PC-id_140764781	315.367	ICCASQMFTJHKHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047607
COc1cc(ccc1O)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318345325	315.367	COCFWHGGPLSXQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047608
COc1cc(ccc1O)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318929225	315.367	MLXBQCKSGUYYQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047609
COc1ccc(cc1)OCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320188639,MCULE-3151022070	315.367	CKFRTBZCAGQOIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047610
COc1cccc(c1)OCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-9911187127,EMOLS-id_320048175	315.367	HTDLDGUBBKQNFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047611
COc1cc(C)cc(c1O)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671424	315.367	SBNMZRVIOUVHDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047612
COc1cc(C)cc(c1O)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318946155	315.367	NFNJZKUKTJONPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047613
COc1cccc(C(=O)N2CCCc3c(OC)nn(C)c3C2)c1	PC-id_97515518,ZINC22_96254467,EMOLS-id_44366632	315.367	CWQZSXFWNOJMQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047614
COc1ccc(NC(=O)c2n[nH]c3CCCCCc23)cc1OC	MCULE-5450475982,EMOLS-id_335024156	315.367	MBWQDBYGULEGSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047615
COc1ccc(NC(=O)c2n[nH]c3CCCCCc23)c(OC)c1	MCULE-7555025966,EMOLS-id_335041561	315.367	LEVLLEQPDSLUPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047616
COc1cc(CO)ccc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_278918393	315.367	FSLVDHFAVWZRPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047617
COc1cc(CO)ccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318861676	315.367	BQVZQQHDFIKZJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047618
COc1ccc(OC)c(NC(=O)c2n[nH]c3CCCCCc23)c1	MCULE-4097564845,EMOLS-id_323252405	315.367	YFEZXCBXONPQRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047619
COc1cc(NC(=O)c2n[nH]c3CCCCCc23)cc(OC)c1	MCULE-1669683022,EMOLS-id_335081985	315.367	MWTVGLWIKWBLHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047620
COc1cc(OC)ccc1CN1C(=O)CCCn2c1cc(n2)C	SCHEMBL18367091	315.367	KSGPXBDMFDUSDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047621
COc1cc(OC)ccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318848105	315.367	QEVJIRSKAUHKCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047622
COc1cc(OC)cc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319852604	315.367	WTZHOSYHWCITGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047623
COC1CN(Cc2ccnn2C1)C(=O)CCOc1ccccc1	EMOLS-id_50011402	315.367	XOLKMILAXBJNSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047624
COc1nn(C)c2c1CCCN(C(=O)COc1ccccc1)C2	PC-id_97515516,ZINC22_96254465	315.367	CIQPMCRMIUBKIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047625
COCC1CN(Cc2ccc3OCOc3c2)Cc2ccnn2C1	EMOLS-id_44326793	315.367	KUKGFPONMBXHQE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047626
COCC1CN(Cc2ccc3OCOc3c2)Cc2cncn2C1	EMOLS-id_49234371	315.367	OSOBCJRDUBSGNZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047627
COC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_96188894,PC-id_97463319	315.367	KUKGFPONMBXHQE-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047628
COC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_96188895,PC-id_97463320	315.367	KUKGFPONMBXHQE-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047629
COC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn2C1	PC-id_97482364,ZINC22_96215299	315.367	OSOBCJRDUBSGNZ-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047630
COC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn2C1	ZINC22_96215297,PC-id_97482362	315.367	OSOBCJRDUBSGNZ-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047631
COCC(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_575405417	315.367	SIZJHHSIKLZEPI-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047632
COCC(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_575405419	315.367	SIZJHHSIKLZEPI-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047633
COCC(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_575403910	315.367	IPSOTDJLJPYIED-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047634
COCC(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_575403911	315.367	IPSOTDJLJPYIED-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047635
COCC(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_575403183	315.367	FJYQVFUQMTWWFI-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047636
COCC(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_575403184	315.367	FJYQVFUQMTWWFI-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047637
COCC(=O)N1Cc2cncn2CCC1COc1ccccc1	EMOLS-id_313816101	315.367	FQDFPGJDABAKQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047638
COCC(=O)N1Cc2cncn2CC[C@H]1COc1ccccc1	ZINC22_585096924	315.367	FQDFPGJDABAKQI-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047639
COCC(=O)N1Cc2cncn2CC[C@@H]1COc1ccccc1	ZINC22_585096926	315.367	FQDFPGJDABAKQI-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047640
COCC(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_55751303	315.367	SIZJHHSIKLZEPI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047641
COCC(=O)N1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_55751407	315.367	IPSOTDJLJPYIED-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047642
COCC(=O)N1CC(Cn2cccc2C1)OCc1ccncc1	EMOLS-id_55750991	315.367	FJYQVFUQMTWWFI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047643
CO[C@H]1CN(C(=O)CCOc2ccccc2)Cc2ccnn2C1	ZINC22_247908023	315.367	XOLKMILAXBJNSN-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047644
CO[C@@H]1CN(C(=O)CCOc2ccccc2)Cc2ccnn2C1	ZINC22_247908025	315.367	XOLKMILAXBJNSN-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047645
COC(=O)c1cc2n(n1)CCCN(C(=O)[C@H]1C[C@H]3C=C[C@@H]1C3)C2	ZINC22_1565530970	315.367	NUHPNOCRMHMNOH-SCRDCRAPSA-N	00000011100000000101000000000110000000000000000000000000	31-01-047646
COC(=O)C1CCc2n(CC1)c(nn2)CCOc1ccccc1	PC-id_136557141,EMOLS-id_316948559,MCULE-1346530530	315.367	UNIDJXSHJZONOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047647
COC(=O)C1CCc2n(CC1)c(nn2)COCc1ccccc1	PC-id_136557126,EMOLS-id_316948814,MCULE-2242253225	315.367	RJSLEGIXJGEQPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047648
COC(=O)CCn1cccc1CN1Cc2cccn2CCC1=O	PC-id_142762569	315.367	FMJVPZFUUROCLQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-047649
COC(=O)[C@@H]1CCc2nnc(Cc3ccccc3OC)n2CC1	ZINC22_601044110	315.367	NSCIPTCOEYTFMT-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047650
COC(=O)[C@H]1CCc2nnc(Cc3ccccc3OC)n2CC1	ZINC22_601044112	315.367	NSCIPTCOEYTFMT-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047651
COC(=O)[C@@H]1CCc2nnc(CCOc3ccccc3)n2CC1	ZINC22_601044961	315.367	UNIDJXSHJZONOY-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047652
COC(=O)[C@H]1CCc2nnc(CCOc3ccccc3)n2CC1	ZINC22_601045212	315.367	UNIDJXSHJZONOY-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047653
COC(=O)[C@@H]1CCc2nnc(COc3cccc(C)c3)n2CC1	ZINC22_601043789	315.367	IPZIKUJNGBZINM-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047654
COC(=O)[C@H]1CCc2nnc(COc3cccc(C)c3)n2CC1	ZINC22_601043793	315.367	IPZIKUJNGBZINM-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047655
COC(=O)[C@@H]1CCc2nnc(COc3ccc(C)cc3)n2CC1	ZINC22_601045633	315.367	ZHFDOLVWTXJNSL-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047656
COC(=O)[C@H]1CCc2nnc(COc3ccc(C)cc3)n2CC1	ZINC22_601045635	315.367	ZHFDOLVWTXJNSL-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047657
COC(=O)[C@H]1CCc2nnc(COCc3ccccc3)n2CC1	ZINC22_601044809	315.367	RJSLEGIXJGEQPF-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047658
COC(=O)[C@@H]1CCc2nnc(COCc3ccccc3)n2CC1	ZINC22_601044811	315.367	RJSLEGIXJGEQPF-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047659
Oc1ccc(cc1)C(CNC(=O)c1n[nH]c2c1CCCCC2)O	EMOLS-id_319035222	315.367	VHVOEGBIGFZHQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047660
Oc1ccc(CCNC(=O)c2n[nH]c3CCCCCc23)cc1O	MCULE-2657914562,EMOLS-id_323256245	315.367	LZDOUMYPVZFYEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047661
OCc1cc(cc(c1)CO)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_319398517	315.367	IOWYMFIMFVDRTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047662
OCc1cc(cc(c1)CO)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319273416	315.367	XPNPISVJVFAPOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047663
OCc1ccc(cc1)OCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318775154	315.367	BFGIAJFTSQCPKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047664
O=C(c1ccco1)N1CCCn2cnc(COCC3CC3)c2C1	ZINC22_96059025,EMOLS-id_46148341,PC-id_97381678	315.367	LOIFKIJSKDPEKX-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047665
O=C(c1ccoc1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	ZINC22_96189106,PC-id_97463521	315.367	UABGBFHKYAXETN-AWEZNQCLSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047666
O=C(c1ccoc1)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_96189107,PC-id_97463522	315.367	UABGBFHKYAXETN-CQSZACIVSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047667
O=C(c1ccoc1)N1Cc2nccn2C[C@H](COCC2CC2)C1	PC-id_97462343,ZINC22_96187894	315.367	TTYDXWUMCFTNLD-AWEZNQCLSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047668
O=C(c1ccoc1)N1Cc2nccn2C[C@@H](COCC2CC2)C1	ZINC22_96187895,PC-id_97462344	315.367	TTYDXWUMCFTNLD-CQSZACIVSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047669
O=C(c1ccoc1)N1CCCn2cnc(COCC3CC3)c2C1	EMOLS-id_46148343,ZINC22_96059026,PC-id_97381679	315.367	WCTVOPUVSSDGAF-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047670
O=C(c1noc2c1CCCCC2)NCc1noc2c1CCCC2	EMOLS-id_99234631	315.367	NMNLQTXEQFGDPO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047671
O=C(Cc1ccco1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_247807527	315.367	CFIXCNQXMXIHLS-INIZCTEOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047672
O=C(Cc1ccco1)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_247807530	315.367	CFIXCNQXMXIHLS-MRXNPFEDSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047673
O=C(Cc1ccco1)N1CC(Cn2nccc2C1)OCC1CC1	EMOLS-id_50011192	315.367	CFIXCNQXMXIHLS-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047674
O=C(N1CCCn2nc(cc2C1)C(=O)OC)C1C2CC(C1)C=C2	PC-id_75595483	315.367	NUHPNOCRMHMNOH-UHFFFAOYSA-N	00000011100000000101000000000110000000000000000000000000	31-01-047675
O=C(N1CC(COCC2CC2)Cn2ccnc2C1)c1ccoc1	EMOLS-id_44325927	315.367	TTYDXWUMCFTNLD-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047676
O=C(N1CC(COCC2CC2)Cn2nccc2C1)c1ccoc1	EMOLS-id_44327035	315.367	UABGBFHKYAXETN-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047677
O=C(NCCN(CC)CC)c1c2-c(c([N+](=O)[O-])c1)ccccc2	PC-id_41187	315.367	IWQBSRASEBCBEN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-047678
O=C(OCCCn1ccccc1=O)c1n[nH]c2c1CCCCC2	EMOLS-id_50358511,ZINC22_195579022,MCULE-6743160250,PC-id_91652108	315.367	DJBLLROGWUAMKN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047679
O=C(O)CCN1CCCn2nc([C@H](O)c3ccccc3)cc2C1	PC-id_100061485,ZINC22_220592345	315.367	IYRACMOHRHQNSX-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047680
O=C(O)CCN1CCCn2nc([C@@H](O)c3ccccc3)cc2C1	ZINC22_220592277,PC-id_100061483	315.367	IYRACMOHRHQNSX-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047681
OC(=O)COC1CCCCCc2c1n(nn2)Cc1ccccc1	PC-id_122204654	315.367	XMICPWZMULTFHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047682
OC(=O)COC1CCCCCc2c1nnn2Cc1ccccc1	PC-id_122204655	315.367	OHLGMPHFCXEVMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047683
s1c2c(CCCCC2)c(c1NC(=O)c1cccnc1)C(=O)[O-]	PC-id_6952771	315.367	BVVJPXCIRRVLEF-UHFFFAOYSA-M	00000000100000101100000000000010000000000000000000000000	31-01-047684
C=C/C(=CC=N)/c1c(c2c([nH]1)ccccc2=O)Nc1ccccc1	SCHEMBL18481387,PC-id_137087488	315.368	GFCHDMTVGDNICS-GSGSBDMKSA-N	00000000100000110110000000000010000000000000000000000000	31-01-047685
CN(c1nc2-c(c1C=C1C(=O)Nc3c1cccc3)ccccc2)C	PC-id_25264203,SCHEMBL3284371	315.368	FSUYBOXLMZWVGF-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-047686
CN(c1nc2-c(c1/C=C
/C(=O)Nc3c1cccc3)ccccc2)C	SCHEMBL3284361	315.368	FSUYBOXLMZWVGF-FOWTUZBSSA-N	00000010100000100110000000001010000000000000000000000000	31-01-047687
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1cc(C)nc(C)n1	EMOLS-id_55671319,MCULE-3372851587,PC-id_91783991	315.37	XJAPXBRSRBNZGT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047688
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1ccnc(NC)c1	PC-id_91791378,EMOLS-id_55692927,MCULE-6345622701	315.37	FAYFHEBZILCHKE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047689
c12CN(CCCn1nc(CO)c2)CC(=O)NCc1ccccn1	PC-id_91791377,MCULE-5839318619,EMOLS-id_55692923	315.37	KMTZRLDXALIQPD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047690
c12CN(CCCn1nc(CO)c2)C(=O)c1cncnc1CCC	MCULE-4162242189,EMOLS-id_55620342,PC-id_91766254	315.37	MSZRLHGMLSVATI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047691
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCNCCn12	PC-id_118759175,MCULE-2541118158,EMOLS-id_68881391	315.37	JZPDWBKQBOLJTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047692
c1(cn2c(CCNCC2)n1)C(=O)N1CCCC1c1cc(no1)C	MCULE-9149315660,EMOLS-id_330460998	315.37	UCUQVFZQDZERBQ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047693
C1(Cn2ccnc2)(CC1)C(=O)N1CCCn2nc(CO)cc2C1	EMOLS-id_55677889,PC-id_91786275,MCULE-4897185373	315.37	VDUWJKWNWIHOTQ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-047694
C1CN(Cc2cc(nn2C1)CO)CCC(=O)Nc1cnccc1	PC-id_91795019	315.37	FWIGMGUHYBMPGR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047695
c1(CN(C)Cc2cnc(cn2)C(=O)O)c2CCCCCc2[nH]n1	ZINC22_1772700419,EMOLS-id_317485937,MCULE-9100547452,PC-id_137343120	315.37	DQGMXOOCGMHAKL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047696
c1(C(=O)NCCCOc2cccnc2)cn2c(CCNCC2)n1	ZINC22_1875246016,MCULE-5890741558,EMOLS-id_331126050	315.37	XJYCQDDLXCGOFY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047697
c1(C(=O)NCC(O)c2cccnc2)cc2n(CCCN(C)C2)n1	MCULE-9568862611,EMOLS-id_32401024,PC-id_50965496	315.37	JZIGYZSDUSITSJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047698
Cc1cccc(n1)CNC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_87041578	315.37	WSGAWTBBZTVNOC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047699
Cc1ccc(CNCc2nnc3n2CCCCC3)cc1[N+](=O)[O-]	ZINC22_61015503,MCULE-6437261536,EMOLS-id_50552724,PC-id_94871669	315.37	FTZGDMSKFLLPES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047700
Cc1ccc(C(=O)NCCc2nnc3n2CCCCC3)c(=O)[nH]1	ZINC22_75119244,MCULE-7029388695,EMOLS-id_42954168,PC-id_72049464	315.37	MRRTVXUALYCHDU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047701
Cc1cc([C@H]2CCCN2C(=O)c2cn3c(n2)CCNCC3)on1	ZINC22_1857736747	315.37	UCUQVFZQDZERBQ-CYBMUJFWSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047702
Cc1cc([C@@H]2CCCN2C(=O)c2cn3c(n2)CCNCC3)on1	ZINC22_1857736748	315.37	UCUQVFZQDZERBQ-ZDUSSCGKSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047703
Cc1cc(C(=O)N2CCCn3nc([C@@H](C)O)cc3C2)nc(C)n1	ZINC22_222490637,PC-id_100100482	315.37	XJAPXBRSRBNZGT-LLVKDONJSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047704
Cc1cc(C(=O)N2CCCn3nc([C@H](C)O)cc3C2)nc(C)n1	ZINC22_222490706,PC-id_100100489	315.37	XJAPXBRSRBNZGT-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-047705
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)c(C)nn(c1=O)C	EMOLS-id_320127955,MCULE-3316411923	315.37	BUVXRUUFCBJHMM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047706
Cc1cnc(cc1)NC(=O)CN1CCCn2c(cc(n2)CO)C1	EMOLS-id_55631288,MCULE-1041856863,PC-id_91770066	315.37	SRCFUPSROWVYRV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047707
Cc1nc2n(n1)CC(CC2)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111406471	315.37	HFKNNNDMYAYXAY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047708
Cc1nc(n(n1)C1CN(C1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_102244580	315.37	PFJMSWMMBDWMOK-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-047709
Cc1[nH]nc(n1)C1CCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_101684207	315.37	IZSRNDSALHAWJR-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047710
Cc1[nH]nc(n1)[C@H]1CCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_318965334	315.37	LXPZLAJDDMVCPR-GFCCVEGCSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047711
CCc1cccc(C(=O)N(C)Cc2nnc3n2CCOCC3)n1	EMOLS-id_320335811,ZINC22_1615550192,MCULE-3504006494	315.37	SVMWLVLUIDDOLZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047712
CCc1cccc(OCC(=O)N[C@@H]2CCc3nnnn3CC2)c1	ZINC22_571275292	315.37	SBIGWJSIACFPKW-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047713
CCc1cccc(OCC(=O)N[C@H]2CCc3nnnn3CC2)c1	ZINC22_571275293	315.37	SBIGWJSIACFPKW-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047714
C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCc4n[nH]cc4C3)n[nH]c12	MCULE-3388528664,ZINC22_1875295534,PC-id_146101760,EMOLS-id_324047700	315.37	JCPWOQUJOJYLKF-ZJUUUORDSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047715
C[C@@H](NC(=O)c1cc(C2CC2)on1)c1nnc2n1CCCCC2	ZINC22_29256003	315.37	PZHALDJWMOODQO-SNVBAGLBSA-N	00100000100000000101100000000010000000000000000000000000	31-01-047716
C[C@H](NC(=O)c1cc(C2CC2)on1)c1nnc2n1CCCCC2	ZINC22_29256008	315.37	PZHALDJWMOODQO-JTQLQIEISA-N	00100000100000000101100000000010000000000000000000000000	31-01-047717
C[C@H](NC(=O)Cn1ccccc1=O)c1nnc2n1CCCCC2	PC-id_94069844,ZINC22_45897518	315.37	VSVJHZSTYZDLPZ-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047718
C[C@@H](NC(=O)Cn1ccccc1=O)c1nnc2n1CCCCC2	ZINC22_45897519,PC-id_94069845	315.37	VSVJHZSTYZDLPZ-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047719
CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cc[nH]c1)CCC2	EMOLS-id_313766850,ZINC22_1565545257	315.37	YNOJPGDCBUQAQT-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-047720
CCOc1cccc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318922666	315.37	GBADOIQGJMUCJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047721
CCOc1ccc(cc1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319133068	315.37	FZTGGKWMKUBCRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047722
CCOc1ccc(C(=O)NCc2nnc3n2CCCCC3)cn1	PC-id_45830618,CoCoCo_4937429,EMOLS-id_32003096,ZINC22_40553318,MCULE-4888862131	315.37	NFQHUKJPIWAEFZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047723
CCOCC1CN(Cc2ccnn2C1)C(=O)c1cnc(C)cn1	EMOLS-id_44326853	315.37	QMJOWECMOHRYNP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047724
CCOC[C@H]1CN(C(=O)c2cnc(C)cn2)Cc2ccnn2C1	ZINC22_96188934,PC-id_97463355	315.37	QMJOWECMOHRYNP-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047725
CCOC[C@@H]1CN(C(=O)c2cnc(C)cn2)Cc2ccnn2C1	ZINC22_96188935,PC-id_97463356	315.37	QMJOWECMOHRYNP-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047726
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCNCC3)c1	ZINC22_299757278	315.37	JZPDWBKQBOLJTA-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047748
CC(=O)NCc1nnc2n1CCN(CC2)C/C=C/c1ccco1	ChEMBL-DNDi_CHEMBL12088965	315.37	LETUFLKJEKVXPK-DUXPYHPUSA-N	00000000101000000101000000000010000000000000000000000000	31-01-047727
CC(=O)N(C)Cc1ncn2c1CN(C(=O)c1ccc[nH]1)CCC2	PC-id_97405454,ZINC22_96084631,EMOLS-id_46182275	315.37	IDQXXHZSQGAGOL-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-047728
CN1CCCn2nc(C(=O)NC[C@H](O)c3cccnc3)cc2C1	PC-id_95128678,ZINC22_65407157	315.37	JZIGYZSDUSITSJ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047729
CN1CCCn2nc(C(=O)NC[C@@H](O)c3cccnc3)cc2C1	ZINC22_65407158,PC-id_95128679	315.37	JZIGYZSDUSITSJ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047730
CN1CCn2c(C1)cc(n2)NC(=O)c1noc2c1CCCCC2	EMOLS-id_316731149	315.37	GIBQFSDPNNFBRR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047731
CNc1nccc(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99990414	315.37	FAYFHEBZILCHKE-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047732
CNc1nccc(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99990418	315.37	FAYFHEBZILCHKE-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-047733
CN(C)C(=O)N1Cc2ccnn2C[C@@H](OCc2cccnc2)C1	ZINC22_306128479	315.37	HBGBYGHEYYQQBW-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047734
CN(C)C(=O)N1Cc2ccnn2C[C@H](OCc2cccnc2)C1	ZINC22_306128480	315.37	HBGBYGHEYYQQBW-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047735
CN(C)C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	PC-id_91922523,EMOLS-id_50590113,MCULE-7056352617	315.37	HFEDPKZSPGQQKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047736
CN(C)C(=O)N1CC(Cn2nccc2C1)OCc1cccnc1	EMOLS-id_50011180	315.37	HBGBYGHEYYQQBW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047737
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1ccn(C)n1	EMOLS-id_313809199	315.37	ITKPGBAKRFOQQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047738
CNC(=O)C[C@H]1CN(C(=O)c2ccn(C)n2)Cc2cccn2C1	ZINC22_585099079	315.37	ITKPGBAKRFOQQU-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047739
CNC(=O)C[C@@H]1CN(C(=O)c2ccn(C)n2)Cc2cccn2C1	ZINC22_585099080	315.37	ITKPGBAKRFOQQU-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047740
COc1cccc(c1C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319742157	315.37	DGHOQSVCSSDTOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047741
COc1cccc(c1)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320185085,MCULE-8635778432	315.37	PCCLMBQZITWVDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047742
COc1ccc(cc1C)NC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-2265742367,EMOLS-id_320254155	315.37	UWFVTSFBLVHULF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047743
COc1ccc(cc1)C(=O)NCCc1nnc2CCNCCn12	ZINC22_299793451,EMOLS-id_68940176,MCULE-7269108958,PC-id_118760488	315.37	HAWGYFZSALUZQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047744
COc1ccc(cc1NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319638103	315.37	FZLYNXQCQDRCPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047745
COc1cccc(c1NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319959119,MCULE-7649080612	315.37	XFZKTGIAJCEQCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047746
COc1cc(C)ccc1NC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-8873528066,EMOLS-id_320172785	315.37	DCKKOZBJGKTTHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047747
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCNCC3)c1	ZINC22_299757279	315.37	JZPDWBKQBOLJTA-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-047749
COc1ccc(cn1)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316634214	315.37	AUTVLTJGWHOPGL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047750
COc1ccc(c(n1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101959633	315.37	NFPXGRYJBRYZME-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047751
COc1ccc(cn1)NC(=O)CCc1nn2c(c1)CNCCC2	EMOLS-id_43089043,MCULE-9672394698,PC-id_70723674	315.37	RJFBNANRPDGOOC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047752
COc1ccc(Cn2cnc3c2C(OC)N(C)N(C)C=N3)cc1	PC-id_11438446,CHEMBL276651,BindingDB_PC-id_11438446	315.37	JILHXELUCZSNFG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-047753
COc1cccc(NC(=O)NCc2nnc3n2CCCCC3)c1	MCULE-1355823438,ZINC22_46062011,EMOLS-id_33304641,PC-id_51077920	315.37	XPCXKAHGJVNSFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047754
COc1cccnc1C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319507978	315.37	ZAVCBFYXHHSUBG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047755
COc1ccc(nc1NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101851069	315.37	QBWZQORVPISEHX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047756
COc1ncc(cc1NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101965710	315.37	YZDJWDDMJHEKCO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047757
COc1nc(C)ccc1C(=O)NCc1nnc2n1CCCCC2	ZINC22_679087502,PC-id_146126360	315.37	VALRQMWVEBEBGL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047758
COCc1ccc(cc1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319562270	315.37	NFUUVMRDKOXTTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047759
COCc1nnc2CC(C)N(CCn12)C(=O)c1cccc(C)n1	EMOLS-id_313824298	315.37	USRLUTHRGSXDKM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047760
COCc1nnc2CC(C)N(CCn12)C(=O)c1ccc(C)cn1	EMOLS-id_313825063	315.37	PXXRIBFHQIPCAZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047761
COCc1nnc2CC(C)N(CCn12)C(=O)c1ccc(C)nc1	EMOLS-id_313825578	315.37	QKYOTWVBWPTQOA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047762
COCc1nnc2CC(C)N(CCn12)C(=O)c1cncc(C)c1	EMOLS-id_313824042	315.37	GIYILILQGZFVEI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047763
COCc1nnc2n1CCN(C(=O)c1ccc(C)cn1)[C@H](C)C2	ZINC22_585097974	315.37	PXXRIBFHQIPCAZ-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047764
COCc1nnc2n1CCN(C(=O)c1ccc(C)cn1)[C@@H](C)C2	ZINC22_585097975	315.37	PXXRIBFHQIPCAZ-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047765
COCc1nnc2n1CCN(C(=O)c1cccc(C)n1)[C@H](C)C2	ZINC22_585098554	315.37	USRLUTHRGSXDKM-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047766
COCc1nnc2n1CCN(C(=O)c1cccc(C)n1)[C@@H](C)C2	ZINC22_585098555	315.37	USRLUTHRGSXDKM-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047767
COCc1nnc2n1CCN(C(=O)c1ccc(C)nc1)[C@H](C)C2	ZINC22_585098017	315.37	QKYOTWVBWPTQOA-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047768
COCc1nnc2n1CCN(C(=O)c1ccc(C)nc1)[C@@H](C)C2	ZINC22_585098018	315.37	QKYOTWVBWPTQOA-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047769
COCc1nnc2n1CCN(C(=O)c1cncc(C)c1)[C@H](C)C2	ZINC22_585097167	315.37	GIYILILQGZFVEI-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047770
COCc1nnc2n1CCN(C(=O)c1cncc(C)c1)[C@@H](C)C2	ZINC22_585097170	315.37	GIYILILQGZFVEI-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047771
COCC(=O)N1CCc2ncc(CNc3ccccn3)n2CC1	PC-id_97467268,EMOLS-id_44329173,ZINC22_96197126	315.37	FUZDCVNVDSMOGO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047772
COC(=O)c1nn2c(c1)CN(CCC2)Cc1ccnc(n1)CC	PC-id_56709697,EMOLS-id_36439278,MCULE-2776756195	315.37	YAVZDOLGFLRTBX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047773
n12CCC(CCc1n[nH]c2=O)CC(=O)N(C)Cc1cccnc1	EMOLS-id_207877176,PC-id_146048479,MCULE-2739134152	315.37	LWDBYCIGIGHCKI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047774
n12CCNCCc1nnc2CCNC(=O)COc1ccccc1	MCULE-5938978097,EMOLS-id_68934849,PC-id_118760366,ZINC22_299799750	315.37	RSESVCJZHNRMNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047775
o1nc(cc1C1CC1)C(=O)NC(c1n2CCCCCc2nn1)C	PC-id_53503113,MCULE-4604897281,EMOLS-id_35694506	315.37	PZHALDJWMOODQO-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-047776
OC1CC(C1)C(=O)N1CCCn2nnc(Cn3cccc3)c2C1	EMOLS-id_313731290,ZINC22_1565555093	315.37	RDYOMSBGNKWXRV-UHFFFAOYSA-N	00001000110000000101000000000010000000000000000000000000	31-01-047777
Oc1cccc(c1)CCNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319852986,MCULE-9910479008	315.37	IQCIULDZUDMMGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047778
Oc1cccc(c1)C(C(=O)NC1CCn2c(CC1)nnn2)(C)C	EMOLS-id_320045792,MCULE-1562558933	315.37	XTRBEMYRIZJJBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047779
Oc1cccc(c1)[C@H](NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319175762	315.37	LPDUYGHSYYUXMT-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047780
O=C1CCCN1Cc1nnc2CCN(Cc3ccco3)CCn12	ZINC22_96259867,PC-id_97519948,CHEMBL3552502,EMOLS-id_44371274	315.37	JHYSQZKAZBTUCG-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047781
O=C1CCCN1Cc1nnc2CCN(Cc3ccoc3)CCn12	PC-id_97381621,ZINC22_96058965,CHEMBL3554597,EMOLS-id_46148227	315.37	AFHYHVTXIJOYOI-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047782
O=C1CCCN1Cc1nnc2CN(Cc3occc3)CCCn12	PC-id_97405582,CHEMBL3553359	315.37	HDUXXNPPHAMPQH-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047783
O=C1CCCN1Cc1nnn2c1CN(CCC2)Cc1cocc1	PC-id_97519570	315.37	JVYPQVDEESRXCY-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047784
Oc1ccnc(n1)CCN(C(=O)c1cnc2n1CCCCC2)C	EMOLS-id_319255429	315.37	GDOUARMTGBVQNN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047785
O=c1n2CCCCCc2nn1CC(=O)N(Cc1cccnc1)C	PC-id_78851122	315.37	BOYSOKDGFTXZDT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047786
Oc1[nH]nc(c1)C1CCN(C1)C(=O)c1cnc2n1CCCCC2	EMOLS-id_319133486	315.37	AECNIXVMCIJLQC-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047787
Oc1nn(c2c1CCN(C2)C(=O)c1cnc2n1CCCCC2)C	EMOLS-id_316706486	315.37	MTUDZIMCYCPYQC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047788
O=C(C1CCCCc2n1c(=O)[nH]n2)N(CCc1ccccn1)C	EMOLS-id_207869287,MCULE-4900940422	315.37	PTGQUDNOBDAWJO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047789
O=C(c1ccc[nH]1)N1CCCn2nnc(COCC3CC3)c2C1	EMOLS-id_46181723,PC-id_97405185,ZINC22_96084358	315.37	NURYSYHCJUMGKL-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-047790
O=C(C1CCCO1)N1CCc2nnc(Cn3cccc3)n2CC1	PC-id_118738850,EMOLS-id_44371296	315.37	KISKQFSMSRQBCQ-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-047791
O=C(c1ccco1)N1CCCn2c(C1)nnc2CN1CCCC1	PC-id_97405578	315.37	RCZNEYQOHAJOJY-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047792
O=C(C1CCCO1)N1CCCn2c(Cn3cccc3)nnc2C1	PC-id_118738864,EMOLS-id_44370844	315.37	CUXVIFZAQFDQOF-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-047793
O=C(c1ccco1)N1CCCn2nnc(CN3CCCC3)c2C1	EMOLS-id_46182407,ZINC22_96084692,PC-id_97405515	315.37	PJJOEZJXTVCFGU-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-047794
O=C(c1ccn(c(=O)c1)C)NC(c1nnc2n1CCCCC2)C	EMOLS-id_36266355,MCULE-1695579123,PC-id_53522899	315.37	NTSZOCQHJUMRPZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047795
O=C(c1cc[nH]n1)N1CCCn2cnc(COCC3CC3)c2C1	PC-id_97520055,ZINC22_96259975,EMOLS-id_44371482	315.37	MGANQAWSSHPGBM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-047796
O=C(c1cnc2n1CCCCC2)N1CC(C1)(O)c1ccnn1C	EMOLS-id_319469688	315.37	RUISQUQIWXKVRH-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-047797
O=C(c1cnc2n1CCCCC2)N1CC(C1)(O)c1nccn1C	EMOLS-id_319717873	315.37	IAJPUOLQNVHWCA-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-047798
O=C(c1cnc2n1CCCCC2)N1CCC(CC1)c1ncon1	EMOLS-id_319284592	315.37	SZVFHXVMCLCGAL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-047799
O=C(c1cnc2n1CCCCC2)NC1CC(C1n1cccn1)O	EMOLS-id_278892263	315.37	IPCZTLCAOJMUBG-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-047800
O=C(c1cnc2n1CCCCC2)NCc1n[nH]c2c1COCC2	EMOLS-id_318809727	315.37	PAOARAFVMRPPRH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047801
O=C(c1cocn1)N1Cc2ccnn2C[C@H](CN2CCCC2)C1	ZINC22_306131357	315.37	KCJPBDHHCUPWCB-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047802
O=C(c1cocn1)N1Cc2ccnn2C[C@@H](CN2CCCC2)C1	ZINC22_306131358	315.37	KCJPBDHHCUPWCB-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047803
O=C(c1ncoc1C1CCNCC1)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319535294	315.37	RRXUNFWSVZEIDL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-047804
O=C(c1nn2c(c1)C(O)CCC2)N1CCCc2c(C1)cnn2C	EMOLS-id_320298766,MCULE-8563881762	315.37	LUPYMRISXQCZMI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047805
O=C(c1n[nH]c2c1CCCCC2)N1CC(C1)(O)c1ccnn1C	EMOLS-id_319427350	315.37	MHAAXYXKBAPIFJ-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-047806
O=C(c1n[nH]c2c1CCCCC2)N1CC(C1)(O)c1nccn1C	EMOLS-id_319083680	315.37	CHASWCHARFDJAJ-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-047807
O=C(c1n[nH]c2c1CCCCC2)N1CCc2c(C1)n(C)nc2O	EMOLS-id_316702911	315.37	MXMGXXKOYBVTDP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047808
O=C(c1n[nH]c2c1CCCCC2)N1CCCC(C1)c1ncon1	MCULE-7560988604,EMOLS-id_320094032	315.37	SWUIPVPPLZYAIP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-047809
O=C(c1n[nH]c2c1CCCCC2)NC1CC(C1n1cccn1)O	EMOLS-id_316561759	315.37	QPCRXFFEIWOSTI-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-047810
O=C(c1noc2c1CCCC2)NCc1nnc2n1CCCCC2	EMOLS-id_110446969	315.37	GWHZGMGFPODJKG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047811
O=C(c1noc2c1CCCCC2)N1CCC(C1)c1nncn1C	EMOLS-id_318950890	315.37	VCGGNKOSNLNECM-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047812
O=C(c1noc2c1CCCCC2)N1CCCC(C1)n1ccnn1	EMOLS-id_102125755	315.37	MORXWZVDIQYMER-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-047813
O=C(c1noc2c1CCCCC2)NCc1nnc2n1CCCC2	EMOLS-id_111825393	315.37	ZMZZIKJHLUMTTN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047814
O=C(c1noc2c1CCCCC2)NCc1nnc(n1C1CC1)C	EMOLS-id_101036551	315.37	QGCAMELVGXVYGG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-047815
O=C(c1noc2c1CCCCC2)NCc1nnc(n1C)C1CC1	EMOLS-id_101039239	315.37	HUVXVEGPGJJKMA-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-047816
O=C(c1noc2c1CCCCC2)NCc1nnn(c1)C1CCC1	EMOLS-id_316771591	315.37	NGMCFYBBVAUSBX-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-047817
O=C(Cc1ccc(cn1)O)NCCc1nnc2n1CCCCC2	EMOLS-id_318904512	315.37	QTRAAKPUORCSMT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047818
O=C([C@H]1CCCO1)N1Cc2nccn2C[C@H](Cn2cccn2)C1	PC-id_97389396,ZINC22_96067073	315.37	BUXVIFALSHGFPX-UONOGXRCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047819
O=C([C@H]1CCCO1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	ZINC22_96067072,PC-id_97389395	315.37	BUXVIFALSHGFPX-ZIAGYGMSSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047820
O=C([C@H]1CCCO1)N1CCc2ncc(Cn3cccn3)n2CC1	ZINC22_96196972,EMOLS-id_44328875,PC-id_97467116	315.37	VGMRSRCOMXOTLO-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047821
O=C([C@@H]1CCCO1)N1CCc2nnc(Cn3cccc3)n2CC1	PC-id_97519959,ZINC22_96259878	315.37	KISKQFSMSRQBCQ-ZDUSSCGKSA-N	00000010110000000101000000000010000000000000000000000000	31-01-047822
O=C([C@H]1CCCO1)N1CCc2nnc(Cn3cccc3)n2CC1	PC-id_97519960,ZINC22_96259879	315.37	KISKQFSMSRQBCQ-CYBMUJFWSA-N	00000010110000000101000000000010000000000000000000000000	31-01-047823
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O=C([C@H]1CCCO1)N1CCCn2c(nnc2Cn2cccc2)C1	PC-id_97519731,ZINC22_96259649	315.37	CUXVIFZAQFDQOF-CYBMUJFWSA-N	00000010110000000101000000000010000000000000000000000000	31-01-047825
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O=C(N1CCCC1c1nncn1C)c1noc2c1CCCCC2	EMOLS-id_111432237	315.37	NJIFDRORTOZLAX-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-047828
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O=C(N1CCCn2c(C1)cc(n2)N)NCCOc1ccccc1	EMOLS-id_319902779,MCULE-7045872245	315.37	QZPBKANIOMPCKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047832
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[O-][n+]1cccc(c1)NC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319083936	315.37	UCZUUUICEDGQBY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047837
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c1(C(=O)NCC2Cc3n(c(nn3)C)C2)nnc2CCCCCn12	MCULE-2662859363,PC-id_137334768,EMOLS-id_317502849	315.374	XNNZBFUQQJBNFZ-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-047841
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCn2c(CC1)nnn2	MCULE-9320253049,EMOLS-id_320038145	315.374	IAUUNMRBMATTGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047844
Cc1nc2n(c1)CC(CC2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319505565	315.374	ITOZNNXBKYINHX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047845
Cc1nccc(n1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318922753	315.374	KNISJNNMEXFAGW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047846
Cc1ncc(nc1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_320131320,MCULE-1643179142	315.374	SXPAUTPSIINMHQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047847
Cc1nnc2n1C[C@@H](CNC(=O)c1cn3c(n1)CCNCC3)C2	ZINC22_1857733085	315.374	UORIRPKMLKSVPF-LLVKDONJSA-N	00000010100000000101000010000010000000000000000000000000	31-01-047848
Cc1nnc2n1C[C@H](CNC(=O)c1cn3c(n1)CCNCC3)C2	ZINC22_1857733086	315.374	UORIRPKMLKSVPF-NSHDSACASA-N	00000010100000000101000010000010000000000000000000000000	31-01-047849
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Cc1nnc2n1C[C@H](CNC(=O)c1nnc3n1CCCCC3)C2	ZINC22_1772707612	315.374	XNNZBFUQQJBNFZ-NSHDSACASA-N	00000010100000000101000010000010000000000000000000000000	31-01-047851
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CN(Cc1ccc(nc1)NC(=O)C1CCn2c(CC1)nnn2)C	EMOLS-id_320060978,MCULE-3452076244	315.374	QQRMATMSZJDVRO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047854
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O=C(c1cnc[nH]1)N1CCCn2c(C1)nnc2CNC1CCC1	PC-id_97405589	315.374	JASTZRACOLOGRU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-047865
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O=C(Cc1cnn2c1CCCC2)NC1CCn2c(CC1)nnn2	EMOLS-id_319425438	315.374	OMXPMIRDVLHHTR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047869
O=C(N1Cc2cn[nH]c2C(C1)(C)C)C1CCn2c(CC1)nnn2	EMOLS-id_318849082	315.374	PDXAYSXHLPSFSN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047870
O=C(N1CCCc2c1c[nH]n2)NCc1nnc2n1CCCCC2	MCULE-1087470823,EMOLS-id_258168417	315.374	ILXWMDUZJHRVPC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047871
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cc1)C(=O)N	EMOLS-id_318937033	315.39	RTVLOGLBPMSYRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047934
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O=C(Nc1ncc(nc1)C)NCCc1nnc2n1CCCCC2	EMOLS-id_318984173	315.374	HJWMYQJWADXRHN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047879
O=C(N(C(c1cccnc1)C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_319387478	315.374	OWYQMWVQGKQVTH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-047880
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O=C(NCc1nnc2n1CCCCC2)[C@H]1NCCc2[nH]cnc12	ZINC22_72433366	315.374	ZYXZPGMNALDJIF-AWEZNQCLSA-N	00000000100010000101000000010010000000000000000000000000	31-01-047882
O=C(NCc1nnc2n1CCCCC2)NCc1ccnc(n1)C	EMOLS-id_98082090,MCULE-9069908988	315.374	BCYAQVQRMNZTFH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-047883
F[C@@H]1CN(C[C@@H]1F)C(=O)Nc1sc2c(n1)CCCCCC2	MCULE-6817392499,EMOLS-id_320013098	315.382	HNRWCYCNDLSTCY-AOOOYVTPSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047884
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c1(C(=O)NCCCc2ccc(cc2)F)c2CCCCCc2n[nH]1	CoCoCo_474816,ZINC22_12116834,CoCoCo_474817,PC-id_16677260,SYN-15580614,EMOLS-id_30429491,MCULE-6817153373	315.385	ZUTISJLDANHOSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047886
c1(C(=O)NC(CC)c2ccc(cc2)F)c2CCCCCc2n[nH]1	PC-id_46963999,EMOLS-id_24893514,SYN-15638279,MCULE-6171495719	315.385	CCCJMUMHXVPJGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047887
CC1(C)CNC(=O)c2cn(CCCc3cccc(F)c3)nc2C1	EMOLS-id_316991044,MCULE-4625789046,ZINC22_634560168	315.385	YMEIIFOIWGHMAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047888
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1ccc(cc1)F)(C)C	EMOLS-id_319673599	315.385	BZVSHMWFEXVMAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047889
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Cc1ccccc1F)C	EMOLS-id_319602614	315.385	AOYMUFWRDJNLED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047890
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(c1ccc(cc1)F)C	EMOLS-id_319741591	315.385	SUCNYGZNVWVFJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047891
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CC(N1CCCc2c(C1)cco2)c1nnc(o1)c1cccs1	EMOLS-id_99343111	315.39	LVDRHAMCDQGOSG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-047936
CC(N1CCCc2c(C1)cco2)c1onc(n1)c1cccs1	EMOLS-id_99341923	315.39	ZBSRPAGSPRXUFX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-047937
CC(=O)N1CCc2c(CC1)nc(s2)C(=O)Nc1ccccc1	PC-id_97524648	315.39	DGZXWYXVOXBVDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047938
CNC(=O)c1nc2CCN(CCc2s1)C(=O)c1ccccc1	EMOLS-id_44303892,PC-id_97442486,ZINC22_96146962	315.39	OJBIBQZDOMGTSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047939
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N#Cc1c(sc2c1CCCCCC2)NC(=O)c1ncoc1C	EMOLS-id_110807912	315.39	YFWCGZUASUKGOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047942
NC(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1	ZINC22_30583444,EMOLS-id_25666001,MCULE-4740344068,CoCoCo_4758690,GD-id_ZINC30583444,PC-id_37700701	315.39	ZUJDRQRICQIIJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047943
NC(=O)c1c(NC(=O)c2ccccn2)sc2c1CCCCC2	PC-id_60387972,ZINC22_69161364,MCULE-2558588746,EMOLS-id_48205530	315.39	FPCFTZGYJGIZTM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047944
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s1c2CCCCCc2cc1C(=O)NNC(=O)c1cccnc1	PC-id_35150063	315.39	DKJVIPBXQUSWRT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047949
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccncc1	PC-id_7536091	315.39	VBORKYQVTULSQT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-047950
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s1c2CCCCCc2c(c1N/C=C(/C(=O)OCC)C#N)C#N	PC-id_8198803	315.39	TUFODQSGKFFFOC-ZHACJKMWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-047952
CC1CCC(O1)CS(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_318785768	315.392	VIETYAZPVNIXEE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047953
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CNS(=O)(=O)N(C)C	EMOLS-id_319773421	315.392	FGJZYDQFMPSFRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047954
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CN(C)C(=O)N1CCCn2cnc(CNS(=O)(=O)C)c2C1	EMOLS-id_46182377,ZINC22_96084677,PC-id_97405500	315.392	LPTWHWAYVOUUDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047956
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CN(C)S(=O)(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-7317870223,EMOLS-id_168607832	315.392	OAEWWPOGOZEMLX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-047958
COC[C@@]1(C[C@@H]1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319594500	315.392	DNCMMTQLRUZSMG-VXFCFVAISA-N	00100000100000000101000000000010000000000000000000000000	31-01-047959
CS(=O)(=O)N1CCCn2c(C1)c(nn2)CN1CCOCC1	PC-id_97413610	315.392	FQQBNVGFAISSGP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-047960
CS(=O)(=O)NCCC(=O)NCc1nnc2n1CCCCC2	EMOLS-id_36268718,MCULE-7828987864,PC-id_53522087,ZINC22_42483167	315.392	VXASSNZGFNNZEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047961
s1c(nc(c2ccccc2)c1)/N=N/c1c2-c(cc1)ccccc2	PC-id_12104382	315.392	OMLZSIVPUMZTOJ-QURGRASLSA-N	00000010100000110111100000000010000000000000000000000000	31-01-047962
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn2c(s1)nc(c2)C	EMOLS-id_319854071,MCULE-6109749105	315.393	ZIHAGOVAXMPZOR-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-047963
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1csc2n1ccn2	EMOLS-id_318959915	315.393	OVMWKXIFRBOCAL-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-047964
CC1CN(Cc2cc(=O)n3c(n2)scc3)Cc2c(C1)[nH]nc2	EMOLS-id_318779006	315.393	XBCVNRDNVGHLLS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047965
CC1CN(Cc2onc(n2)c2cccs2)Cc2c(C1)[nH]nc2	EMOLS-id_319262014	315.393	JRXVMTKQCFXSIA-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-047966
CC1CN(Cc2onc(n2)c2cscc2)Cc2c(C1)[nH]nc2	EMOLS-id_319398225	315.393	YGYIGYZTWPGCOU-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-047967
Cc1csc2c(=O)n(Cc3nnc4n3CCCCC4)cnc12	PC-id_39749811,ZINC22_32513786,MCULE-4352367495,EMOLS-id_25609341	315.393	MDWCRAGPOUHXAO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047968
CCc1c(scn1)C(=O)C(C#N)c1nnc2n1CCCCC2	PC-id_136517077	315.393	BXQNVGMVXCZJCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047969
Cn1c2c(CN(CCC2)Cc2nc3c(c(=O)[nH]2)scc3)cn1	PC-id_137210559,EMOLS-id_101741815	315.393	NJBFRGBJROCGKD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047970
Cn1ncc2c1CCCN(C2)Cc1cc(=O)n2c(n1)scc2	EMOLS-id_101741803	315.393	TXOAEVJFDWQHNH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047971
CN(c1ccc2c(n1)ccs2)Cc1nnc2n1CCOCC2	EMOLS-id_319379844	315.393	ANHIKEYIJCCPFJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047972
N#Cc1ccsc1NC(=O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318847119	315.393	GWRFLGJEEGFAGE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047973
N#Cc1c(sc2c1CCCCCC2)NC(=O)c1cnnn1C	EMOLS-id_110955725	315.393	BPIWJFPNPVVSIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047974
N#CCCn1ccc(n1)NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318460287	315.393	XALPMHJKCSVULP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047975
O=C(c1cc2c(s1)[nH]nc2)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318904037	315.393	NWLSYOCKRXZWNF-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-047976
O=C(C1CSc2c1cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102158359	315.393	QRHYBBQVMLUUAU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-047977
c1csc(CN2Cc3nccn3C[C@H](Cn3cncn3)C2)n1	PC-id_97463049,ZINC22_96188615	315.397	ZEWGPFXGSKJJAE-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047978
c1csc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)n1	ZINC22_96188614,PC-id_97463048	315.397	ZEWGPFXGSKJJAE-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047979
c1csc(CN2CCc3ncc(Cn4cncn4)n3CC2)n1	ZINC22_96196983,PC-id_97467127,EMOLS-id_44328897	315.397	OHAYBJQXCVKJSX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047980
c1scc(c1)CN1CCCn2c(C1)c(nn2)Cn1cnnc1	PC-id_97519638	315.397	KEMITLMGPWYGQW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-047981
C(C1CN(Cc2nccs2)Cc2nccn2C1)n1cncn1	PC-id_118744221,EMOLS-id_44326455	315.397	ZEWGPFXGSKJJAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-047982
Cc1nc(Sc2nnc3n2CCCCC3)c2c(n1)n(C)nc2	EMOLS-id_110396233	315.397	ZCJITBMMGZBNTO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047983
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S(c1n2CCCCCc2nn1)c1ncnc2c1nn(c2C)C	PC-id_52169490	315.397	JFUSSZYXKZCCBV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-047985
FC1CCC(C1)CS(=O)(=O)N1CCCc2c(C1)cnn2C	MCULE-3766366422,EMOLS-id_320314124	315.407	XQIHMCFZSRYWEM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-047986
c12CN(CCCn1nc(CO)c2)Cc1ccc(c(C)c1C)OC	MCULE-5233008654,PC-id_90648922,ZINC22_219328640,EMOLS-id_50531629	315.41	ISPSUWITUZQHJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047987
c1(CN(C)Cc2cccc(OC)c2O)c2CCCCCc2[nH]n1	PC-id_50979937,ZINC22_67921899,EMOLS-id_32428248,MCULE-8557334131	315.41	JABWQAFRYJOEFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047988
c1(C(O)C2CC2)cc2n(CCCN(Cc3ccc(CC)o3)C2)n1	PC-id_90649008,EMOLS-id_50531951,MCULE-4546518865	315.41	AULDTUGXIGDRNX-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047989
Cc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)o1	CHEMBL3551559,ZINC22_96059019,PC-id_97381672,EMOLS-id_46148329	315.41	HMRKHDZAELBUIZ-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047990
CC1(C)[C@@H]2CC=C(CN3CCCn4nc(C(=O)O)cc4C3)[C@H]1C2	CHEMBL4584201	315.41	BYNOYKQKSJLGRN-UKRRQHHQSA-N	00001000100011000101001000000010000000000000000000000000	31-01-047991
CCc1ccc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)o1	PC-id_100040342,ZINC22_219395611	315.41	AULDTUGXIGDRNX-GOSISDBHSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047992
CCc1ccc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)o1	ZINC22_219395539,PC-id_100040340	315.41	AULDTUGXIGDRNX-SFHVURJKSA-N	00100000101000000101000000000010000000000000000000000000	31-01-047993
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CCOC[C@@H]1CCn2cncc2CN1Cc1ccc(CO)cc1	ZINC22_585097513	315.41	MOSORZGLBLDPDX-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047996
CCOC[C@H]1CCn2cncc2CN1Cc1ccc(CO)cc1	ZINC22_585097516	315.41	MOSORZGLBLDPDX-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047997
CCOC[C@H]1CN(Cc2cccc(OC)c2)Cc2nccn2C1	ZINC22_2055713204	315.41	FLJYXDHYQSIACE-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047998
CCOC[C@@H]1CN(Cc2cccc(OC)c2)Cc2nccn2C1	ZINC22_2055713205	315.41	FLJYXDHYQSIACE-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-047999
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c1coc(CN2CCc3nnc(CN4CCCCC4)n3CC2)c1	PC-id_97519968,EMOLS-id_44371312,ZINC22_96259887	315.413	VACQSXFQJUOZNS-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-048018
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c1(C(=O)NCc2c3CCCCCc3[nH]n2)cnn(CCC)c1C	EMOLS-id_32394796,MCULE-3500132997,ZINC22_67803692,PC-id_50962184	315.413	WVLLWSLMCQGBNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048020
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Cc1ccc(o1)CN1CCCn2c(C1)nnc2CN1CCCC1	PC-id_97405625	315.413	BADBJLPFDAEMQK-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-048022
Cc1ccc(OCc2nnc3n2CCN(C(C)C)[C@@H](C)C3)cn1	ZINC22_585098027	315.413	QRMAIKAWCGDYFI-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048023
Cc1ccc(OCc2nnc3n2CCN(C(C)C)[C@H](C)C3)cn1	ZINC22_585098032	315.413	QRMAIKAWCGDYFI-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048024
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(nn1C)C(C)(C)C	EMOLS-id_318903102	315.413	QXJHFWYGYNILSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048025
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(nc1C)C(C)(C)C	EMOLS-id_319518925	315.413	GGUSIQJNLXZOSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048026
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1c(C)nn(c1C)C)C	MCULE-7428706183,EMOLS-id_320208539	315.413	LSZCJTWCDWIAPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048027
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Cc1c(C)n[nH]c1C)C	EMOLS-id_319993654,MCULE-7669045012	315.413	ULWKTUOTTCQIQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048028
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCn1nc(cc1C)C	EMOLS-id_319187350	315.413	ZFPRSMLMCHWIGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048029
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCn1ccnc1C(C)C	EMOLS-id_320152641,MCULE-3806244715	315.413	OVRPTAWTWKNOOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048030
CC1CN(Cc2noc(n2)C2CCCCC2)Cc2c(C1)[nH]nc2	EMOLS-id_320213093,MCULE-3155903111	315.413	DYUWXPBTZZJUMX-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048031
Cc1nc2c(o1)CCCC2NCCc1nnc2n1CCCCC2	EMOLS-id_279081570	315.413	XKTSVVKAXFZHJM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048032
Cc1ncn(c1)C(C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)(C)C	EMOLS-id_278457336	315.413	YMGRKWQLAROANV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048033
CCc1cnc([nH]1)CC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_318204297	315.413	JXDDQTPQHJAQHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048034
CCC1N(CCCn2ccnc12)C(=O)CCn1nc(C)cc1C	EMOLS-id_55717366	315.413	ONHSQMHOBCFRPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048035
CC(c1nnnn1C1CCCCC1)N1CCCc2c(C1)cco2	MCULE-6869636916,EMOLS-id_316192015	315.413	PDFLOLXXJZJBJQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048036
CC(c1onc(n1)C1CC1)N1Cc2cnn(c2CC(C1)(C)C)C	MCULE-7714330025,PC-id_139020624,EMOLS-id_320367460	315.413	CVFCOUPSWRKJGT-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048037
CC(C)C1N(CCCn2ccnc12)C(=O)Cn1nc(C)cc1C	EMOLS-id_55717428,MCULE-2447127270	315.413	KTKKUWYRCPUTFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048038
CCC(c1nnc2n1CCCCC2)NCCn1ccccc1=O	EMOLS-id_318417409	315.413	WKNKYLNPNVQFMV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048039
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C/C=C(C)/CN1CCCn2nc(cc2C1)C(O)c1ccnn1C	EMOLS-id_50541879	315.413	YLYWGGNHKUDJOT-YIXHJXPBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048041
C/C=C(C)/CN1CCCn2nc([C@H](O)c3ccnn3C)cc2C1	ZINC22_221230478,PC-id_100066174	315.413	YLYWGGNHKUDJOT-UEIWYUPXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048042
C/C=C(C)/CN1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1	ZINC22_221230531,PC-id_100066175	315.413	YLYWGGNHKUDJOT-RRQFRJBNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048043
CC(CC(C(=O)N1CCCc2c(C1)cnn2C)n1cncc1)C	EMOLS-id_318164505	315.413	OVQKGYHHGVWXST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048044
CC(CC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)n1cncc1)C	EMOLS-id_319309512	315.413	XOEHXVHOFPPQAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048045
CC(CCN1CCCn2c(C1)c(COc1cccnc1)nn2)C	PC-id_97413555	315.413	IIZGFACGXKBBKT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048046
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CCC(C(=O)N1Cc2cnn(c2CC(C1)(C)C)C)n1cccn1	EMOLS-id_320272798,MCULE-3711588046	315.413	JIZACTPARSECAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048049
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CCC(n1ccc(n1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)CC	MCULE-5150813926,EMOLS-id_320273851	315.413	WTUKNIAVOILWOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048053
CC(C)N1CCn2c(COc3ccc(C)nc3)nnc2CC1C	EMOLS-id_313744570	315.413	QRMAIKAWCGDYFI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048054
CC(Cn1ncc(c1C)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101674736	315.413	KNYHUZUVCBFBHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048055
CCCn1nc(c(c1C)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101846359	315.413	GTCYCGQHMPVAEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048056
CCC(n1nc(cc1C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319605406	315.413	VDYKBWDIQQKTOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048057
CC(Cn1ncc(c1C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319717888	315.413	LRJSCRFBJAMAEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048058
CCC(n1nccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)CC	EMOLS-id_319558220	315.413	SJNJRKOEOMNMBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048059
CCC(O)c1cc2CN(Cc3cccnc3NC)CCCn2n1	EMOLS-id_55636970,MCULE-4650638836,PC-id_91772077	315.413	NBELZKBRXBTANW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048060
C[C@H](c1nc(C2CC2)no1)N1Cc2cnn(C)c2CC(C)(C)C1	ZINC22_664873434	315.413	CVFCOUPSWRKJGT-LLVKDONJSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048061
C[C@@H](c1nc(C2CC2)no1)N1Cc2cnn(C)c2CC(C)(C)C1	ZINC22_664873435	315.413	CVFCOUPSWRKJGT-NSHDSACASA-N	00100000100000000101100000000010000000000000000000000000	31-01-048062
C[C@H](c1nnnn1C1CCCCC1)N1CCCc2occc2C1	ZINC22_367327186	315.413	PDFLOLXXJZJBJQ-CYBMUJFWSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048063
C[C@@H](c1nnnn1C1CCCCC1)N1CCCc2occc2C1	ZINC22_367327187	315.413	PDFLOLXXJZJBJQ-ZDUSSCGKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048064
C[C@H](C(=O)NC1CCCCC1)N1CCCn2nc(C#N)cc2C1	ZINC22_670471935	315.413	HOWJQMRSYTUABO-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-048065
C[C@@H](C(=O)NC1CCCCC1)N1CCCn2nc(C#N)cc2C1	ZINC22_670471938	315.413	HOWJQMRSYTUABO-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-048066
CCn1nc(cc1C)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319031671	315.413	WBSAYNQVVQVKCK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048067
CCn1ncc(c1C)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_320044775,MCULE-5907093667	315.413	FXLMIOMWQNIAKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048068
CCn1nc(c(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C(C)C	EMOLS-id_318920446	315.413	TUSDNHGOTRNYAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048069
CCn1ncc(C(=O)N2CCCn3ccnc3C2C(C)C)c1C	MCULE-2708454703,EMOLS-id_97012439	315.413	IPLKIAJQKNZLCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048070
CCN(Cc1cnc2n1CCN(CC2)C(=O)c1ccc[nH]1)CC	PC-id_97390187	315.413	PGCFORHAWYBRMX-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-048071
CCN(CC)CC1CN(Cc2nccn2C1)C(=O)c1ccc[nH]1	EMOLS-id_44326129	315.413	CAKVBKVDBIUWSM-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-048072
CCN(CC)C[C@@H]1CN(C(=O)c2ccc[nH]2)Cc2nccn2C1	PC-id_97462734,ZINC22_96188291	315.413	CAKVBKVDBIUWSM-AWEZNQCLSA-N	00000000110000000101000000000010000000000000000000000000	31-01-048073
CCN(CC)C[C@H]1CN(C(=O)c2ccc[nH]2)Cc2nccn2C1	ZINC22_96188290,PC-id_97462733	315.413	CAKVBKVDBIUWSM-CQSZACIVSA-N	00000000110000000101000000000010000000000000000000000000	31-01-048074
CC(Oc1cccc(c1)CNC1CCn2c(CC1)nnn2)(C)C	MCULE-6790146410,EMOLS-id_318436323	315.413	BIKRUCTZGNQXNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048075
CC(OC(c1ccccc1)CNC1CCn2c(CC1)nnn2)C	EMOLS-id_316660062	315.413	SYJORQGWYLBANZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048076
CCOCc1nnc2CC(C)N(Cc3ncccc3C)CCn12	EMOLS-id_313826598	315.413	MYKAUBZKRKYCRF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048077
CCOCc1nnc2n1CCN(Cc1ncccc1C)[C@@H](C)C2	ZINC22_585097708	315.413	MYKAUBZKRKYCRF-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048078
CCOCc1nnc2n1CCN(Cc1ncccc1C)[C@H](C)C2	ZINC22_585097709	315.413	MYKAUBZKRKYCRF-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048079
Cn1cc(c(n1)C(C)(C)C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674754	315.413	VDOZVIXWZBQGOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048080
Cn1c(ccn1)[C@H]1[C@@H](CCCO1)CN1CCCc2c(C1)cn[nH]2	PC-id_136583917	315.413	MYDOTFRRVISHIQ-SUMWQHHRSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048081
Cn1cc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)cn1	PC-id_97463506,ZINC22_96189091	315.413	YYUXDIPHXIAWGB-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048082
Cn1cc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)cn1	ZINC22_96189090,PC-id_97463505	315.413	YYUXDIPHXIAWGB-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048083
Cn1cc(CN2Cc3cncn3C[C@H](COCC3CC3)C2)cn1	PC-id_97475348,ZINC22_96207221	315.413	LTWBNJRXKGXJNS-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048084
Cn1cc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)cn1	ZINC22_96207222,PC-id_97475349	315.413	LTWBNJRXKGXJNS-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048085
Cn1cc(CN2Cc3nccn3C[C@H](COCC3CC3)C2)cn1	PC-id_97462331,ZINC22_96187882	315.413	IXAKKVRDIVTBPY-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048086
Cn1cc(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)cn1	PC-id_97462332,ZINC22_96187883	315.413	IXAKKVRDIVTBPY-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048087
Cn1cc(CN2CCCn3cnc(COCC4CC4)c3C2)cn1	PC-id_97381670,ZINC22_96059017,EMOLS-id_46148325	315.413	KWKWVTIOUDVZLN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048088
Cn1cc(CN2CC(COCC3CC3)Cn3ccnc3C2)cn1	EMOLS-id_44325915	315.413	IXAKKVRDIVTBPY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048089
Cn1cc(CN2CC(COCC3CC3)Cn3cncc3C2)cn1	EMOLS-id_49229809	315.413	LTWBNJRXKGXJNS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048090
Cn1cc(CN2CC(COCC3CC3)Cn3nccc3C2)cn1	EMOLS-id_44327019	315.413	YYUXDIPHXIAWGB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048091
Cn1ncc2c1CCCN(C2)Cc1noc(n1)C1CCCCC1	EMOLS-id_101742796	315.413	RMVMPOUMVWRWDD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048092
CN(Cc1cc2CNCCCn2n1)Cc1noc2CCCCc12	ZINC22_72121958,MCULE-8360612021,PC-id_56882306,EMOLS-id_43058114	315.413	SAIDEBXPVRSCOA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048093
CN(C)Cc1cnc2CCN(CCn12)C(=O)C1(CCCC1)C#N	ZINC22_1565542602,EMOLS-id_313783189	315.413	QMHGGABLGKJBQU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-048094
CN(C)Cc1cnc2CCN(CCn12)C(=O)CCc1ccc[nH]1	ZINC22_1565542506,EMOLS-id_313780429	315.413	JFWRMUCISJATPO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-048095
CN(C(C)C)Cc1ncn2c1CN(CCC2)C(=O)c1ccc[nH]1	PC-id_97405440	315.413	VZRDLOHBGXHIRX-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-048096
CN(C)CC(O)c1cc2CN(Cc3ccncc3)CCCn2n1	PC-id_90652731,MCULE-6629935288,EMOLS-id_50545643	315.413	YOKWMQOXQWTGRT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048097
CN(C[C@@H](c1nn2c(c1)CN(CCC2)Cc1ccncc1)O)C	PC-id_100067078	315.413	YOKWMQOXQWTGRT-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048098
CN(C[C@H](c1nn2c(c1)CN(CCC2)Cc1ccncc1)O)C	PC-id_100067079	315.413	YOKWMQOXQWTGRT-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048099
COc1ccnc(c1)C(NCCc1nnc2n1CCCCC2)C	EMOLS-id_319509526	315.413	RUXYTZIFUTVCPG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048100
COc1cncc(c1)CNC(c1nnc2n1CCCCC2)CC	EMOLS-id_318134699	315.413	IIJARCCKQBWRRW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048101
COc1nccc(c1)CC(NCc1nnc2n1CCCCC2)C	MCULE-9509501214,EMOLS-id_316411688	315.413	BDIVZWWUQDCIEY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048102
COc1ncccc1CN1CCc2ncc(CN(C)C)n2CC1	PC-id_97466933,EMOLS-id_44328507,ZINC22_96196788	315.413	DTRCMBJRZXRTKD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048103
NCC1CCC(CC1)C(=O)N1Cc2cnn(c2NC(=C)C1=C)C	PC-id_143188956	315.413	NFNKYFOKZHPERE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-048104
N#CC1(CCCCC1)NC(=O)CN1CCCc2c(C1)cnn2C	EMOLS-id_101738912	315.413	FUPWTKWSHXMLNL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-048105
O=C(c1cc(nn1C)C(C)(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101670124	315.413	BDQUBBJMOVPHRR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048106
O=C(c1cnn(c1C)C(C)(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101670079	315.413	WPSHZHAOTJSQDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048107
O=C(c1cn(nc1C)C(C)(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101676473	315.413	IWLGRJDOESMRLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048108
O=C(c1[nH]cnc1C(C)(C)C)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318103229	315.413	MSABWTFMAJJMML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048109
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)CCc1nccn1C	EMOLS-id_319292936	315.413	HJTFUMOTFZYRJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048110
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)CCc1[nH]cc(n1)C	EMOLS-id_319128199	315.413	MXVOAQYEMINHBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048111
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)CCc1[nH]nc(c1)C	EMOLS-id_319380660	315.413	KMUKHLOJEBAHNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048112
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Cn1ccnc1C(C)C	EMOLS-id_316343802,MCULE-8406011807	315.413	LRRPIIYLGNWJDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048113
O=C(N1CCCc2c(C1)cnn2C)CC(n1nc(cc1C)C)C	EMOLS-id_101670091	315.413	BEVIJRREVJTINF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048114
O=C(N1CCCn2c(C1)nnc2CN1CCCC1)C1CC=CC1	PC-id_97519709	315.413	DGRVMJBGDWFCNQ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-048115
C1CCn2c(CC1)nnc2CN1CCN(CC1)Cc1[nH]ccn1	EMOLS-id_98536990	315.417	NSZITKADGPYCCZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-048116
c1(nncn1C)C1CCCN(Cc2cc3n(CCCNC3)n2)C1	PC-id_56881411,EMOLS-id_43054496,MCULE-5152336117	315.417	SDSLUHQCZRDFBL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048117
Cc1[nH]nc(n1)C1CCCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_110876771	315.417	KCVLPNVQSOMPBE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048118
CC(c1cc(NC2CCc3n(CC2)nnn3)nc(n1)C(C)C)C	MCULE-5790736574,EMOLS-id_102032918	315.417	MAORDDAQBJEPAB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048119
CCC(c1nnc2n1CCCCC2)NC1CC(n2c1ncn2)C	MCULE-5427456009,EMOLS-id_318396372	315.417	BSMAHOXQHPEAMS-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-048120
Cn1cc(CN2CCCn3c(CN4CCCC4)nnc3C2)cn1	EMOLS-id_44370974,ZINC22_96259714,PC-id_97519796	315.417	PGWXIGOPSJGUKY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-048121
Cn1ccnc1CN1CCCn2c(C1)nnc2CNC1CCC1	PC-id_97410166	315.417	QEWCAVVOKBUTRU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-048122
Cn1ccnc1N1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_110458149	315.417	QKTFMMXAXLEHSS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048123
Cn1cnnc1[C@@H]1CCCN(Cc2cc3n(n2)CCCNC3)C1	PC-id_95706807,ZINC22_72119534	315.417	SDSLUHQCZRDFBL-CYBMUJFWSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048124
Cn1cnnc1[C@H]1CCCN(Cc2cc3n(n2)CCCNC3)C1	ZINC22_72119535,PC-id_95706808	315.417	SDSLUHQCZRDFBL-ZDUSSCGKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048125
Cn1ncc(c1)[C@@H]1CN(C[C@H]1N)Cc1nnc2n1CCCCC2	EMOLS-id_102154693	315.417	HRPGJODKVVLXRL-UONOGXRCSA-N	00000010100000000101100000000010000000000000000000000000	31-01-048126
Cn1ncc(c1)N1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_111388963	315.417	CMENZZNJOASIOY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048127
CN(CCN1CCCn2c(C1)c(CNc1ncccn1)nc2)C	PC-id_97405482	315.417	ZVUFIBUJXPUIFZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048128
CN=C(NCc1nnc2n1CCCCC2)NCCn1cccc1	PC-id_109528203	315.417	LACZOEBEOOEOOY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-048129
N1(CCC(CC1)c1n(cnn1)C)Cc1nn2c(c1)CNCCC2	PC-id_56906860	315.417	XSRHQHDVRKCTMF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048130
FC1=CCC=C(C=C1)C(c1nnc2n1CCCCCC2)C(C)C	PC-id_142840468	315.428	OTAXTNMZNHMTQP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-048131
c1(C(=O)NCc2ccc(cc2)OC)csc2CCCCCc12	PC-id_20881839,MCULE-4532773543,EMOLS-id_16062775	315.43	ALYYQXUNZGPJFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048132
c1(csc2CCCCCc12)C(=O)Nc1ccc(cc1)OCC	CoCoCo_2171527,PC-id_20881840,EMOLS-id_16062777,ChEMBL-DNDi_CHEMBLC760-0932,MCULE-2024854019	315.43	BCGHANXVBNZJDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048133
Cc1ccc(cc1)OC(C(=O)N1CCCc2c(C1)ccs2)C	EMOLS-id_318292098	315.43	DGKANTWCGIEFPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048134
CCOc1cc(C)ccc1C(=O)N1CCCCc2c1ccs2	PC-id_141866451	315.43	WRACAGPBJQVJIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048135
CCOc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1	EMOLS-id_43820575,PC-id_7947628,ZINC22_6340990,MCULE-4023818875,CoCoCo_3246265	315.43	NYUMBRHRVMGISA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048136
CCOC(=O)c1cc2c(s1)CC(NCC2)Cc1ccccc1	PC-id_141543995	315.43	KUUAYTHRWDCMJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048137
CCOC(=O)c1cc2c(s1)CCN(CC2)Cc1ccccc1	SCHEMBL11173566,PC-id_13072038	315.43	NVUIKIQDZRMQBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048138
CCOC(=O)c1cc2c(s1)CN(CCC2)Cc1ccccc1	SCHEMBL11185670,PC-id_20481305	315.43	MDQLUHKDKPNBDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048139
CN(Cc1ccccc1O)C(=O)c1cc2c(s1)CCCCC2	ZINC22_53914802,PC-id_71891288,EMOLS-id_44537674,MCULE-2473423268	315.43	SOWDUWHZULJYQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048140
COc1ccccc1CNC(=O)c1csc2c1CCCCC2	PC-id_122176106	315.43	FIVQXBABCHHXMM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048141
COc1ccccc1NC(=O)c1cc2c(s1)CCCCCC2	EMOLS-id_43819995,ZINC22_12890896,MCULE-1011683538,PC-id_25580920,CoCoCo_3244699	315.43	MQCBMXSALBYKJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048142
COc1ccc(CNC(=O)c2cc3c(s2)CCCCC3)cc1	PC-id_16315459,ZINC22_6378230,CoCoCo_3363291,MCULE-6523798672,EMOLS-id_3675730	315.43	SQJPFHDPFOXWNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048143
COC(C(=O)N1CCCCc2c1ccs2)Cc1ccccc1	EMOLS-id_318139625	315.43	MLYDZYPMWICZQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048144
O=C(c1cc2c(s1)CCCCC2)Nc1ccccc1C(O)C	PC-id_110904735	315.43	SHVAAXRENZUYTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048145
OCc1ccc(c(c1)NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_109892856	315.43	MFHSKYDAGRQCRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048146
O=C(C(Cc1ccccc1)(O)C)N1CCCc2c(C1)ccs2	EMOLS-id_318130245	315.43	NEJRGMRWOXAJQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048147
O=C(Nc1ccc(CCO)cc1)c1cc2c(s1)CCCCC2	PC-id_71938159,EMOLS-id_45640824,ZINC22_60528897	315.43	NCZUXWLUBYUENZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048148
O=C(NCCc1cccc(O)c1)c1cc2c(s1)CCCCC2	PC-id_71882803,EMOLS-id_44557559,MCULE-6191895215,ZINC22_63866507	315.43	YODKCJGUFNWLGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048149
O=C(NCCOc1ccccc1)c1cc2c(s1)CCCCC2	ZINC22_17850056,MCULE-7360846445,PC-id_27758190,EMOLS-id_43814084,CoCoCo_3223252	315.43	MOFXEUGSWIKDNW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048150
O=C(NOCc1ccccc1)c1cc2c(s1)CCCCCC2	PC-id_9227457,ZINC22_8096878,MCULE-8467197342,CoCoCo_3285573,EMOLS-id_17158925	315.43	CGBDTAKJMOJERW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048151
s1c2CCCCCc2cc1C(=O)Nc1c(OC)ccc(c1)C	PC-id_9208589	315.43	ZBLCEDWZXHBOOU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048152
s1c2CCCCCc2cc1C(=O)Nc1c(OCC)cccc1	PC-id_7935088	315.43	HZCWQBSNNMNEQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048153
s1c2CCCCCc2cc1C(=O)NCc1cc(OC)ccc1	PC-id_9377590	315.43	QZMAZDVJBLJDHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048154
s1c2CCCCCc2cc1C(=O)NCc1c(OC)cccc1	PC-id_9270186	315.43	AYUVLFZVHIGNNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048155
s1c2CCCCCc2nc1/C=C/c1c(OC)c(OC)ccc1	PC-id_10543379	315.43	NBECZDPOARIBHN-VAWYXSNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048156
s1c2CCCCCc2nc1C=Cc1c(OC)c(OC)ccc1	PC-id_85178981	315.43	NBECZDPOARIBHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048157
s1c2CCCCCCc2cc1C(=O)Nc1cc(ccc1)CO	PC-id_9162861	315.43	UOHUVZSOIULESF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048158
CCOC(CS(=O)(=O)N1CCCc2c(C1)cnn2C)(C)C	EMOLS-id_319407320	315.432	DJNOTQHRYRFGBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048159
COCC(OCC(CSc1nnc2n1CCCCC2)O)C	PC-id_106992377	315.432	ZRWXUNTWWCEVQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048160
COCC(S(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C)CC	EMOLS-id_319163148	315.432	LARIKPYZMPKZOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048161
c12cncn1CCCN(Cc1ccc(s1)C#CC(C)(C)O)C2	EMOLS-id_43156104,ZINC22_72161513,MCULE-1569889716,PC-id_56908820	315.433	PPMCUMBPFOJNOS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-048162
c12C(=O)NCCCc1[nH]c(CCSCc1ccccc1C)n2	PC-id_77093598,MCULE-2898360040,ZINC22_216161443,EMOLS-id_49892535	315.433	GMJYYKABOBCLRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048163
c1(cc2c(CCCC2)s1)C(=O)N1CCCc2n(ncc2C1)C	EMOLS-id_430548,PC-id_92428019,MCULE-7395424727,ZINC22_12236353,AOP-19598563	315.433	FKXXRAJIVVTBOH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048164
O=C(C(c1ccccc1)(N)C)Nc1nc2c(s1)CCCCC2	PC-id_120587735	315.433	RPZYEPTZSHJMBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048228
c1(cc2c(CCCCC2)s1)C(=O)N1CCc2c([nH]c(n2)C)C1	EMOLS-id_177415698,ZINC22_584891688,MCULE-2851248247	315.433	DVYYJIIUZKYIOK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048165
c1(NC(=O)Nc2ccc(cc2)CC)sc2c(CCCCC2)n1	CoCoCo_2552406,EMOLS-id_16329834,PC-id_20966626,MCULE-4233603843	315.433	TZGAZMMUNWOMSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048166
c1(NC(=O)Nc2ccccc2C)sc2c(CCCCCC2)n1	CoCoCo_2552430,PC-id_20966648,MCULE-8709835663,EMOLS-id_16329880	315.433	SHSUNCYCFYZCNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048167
c1(NC(=O)Nc2ccc(cc2)C)sc2c(CCCCCC2)n1	EMOLS-id_16329878,CoCoCo_2552429,MCULE-3721274625,PC-id_20966647	315.433	VWPNKASARHQJTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048168
c1(NC(=O)NCc2ccccc2)sc2c(CCCCCC2)n1	MCULE-5869854540,CoCoCo_2552446,EMOLS-id_16329910,PC-id_20966660	315.433	FFMBGPYAVXZDEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048169
Cc1ccc(cc1)C(C(=O)Nc1nc2c(s1)CCCCC2)N	PC-id_120666926,EMOLS-id_302390526,MCULE-1279810499	315.433	PLTNRPJRVYCCFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048170
Cc1ccc(c(c1)/C(=C/Sc1nnc2n1CCCCC2)/O)C	CoCoCo_3081559,CoCoCo_3081562	315.433	BIMBNLGOWIOOTB-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048171
Cc1ccc(c(c1)/C(=CSc1nnc2n1CCCCC2)/O)C	CoCoCo_3081560,CoCoCo_3081561	315.433	BIMBNLGOWIOOTB-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048172
Cc1cccc(c1)CNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825109	315.433	QAUZABFDRBMEME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048173
Cc1ccc(cc1)CNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825185	315.433	CTSHGYVWEMZMAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048174
Cc1ccc(c(c1)O)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7291843,PC-id_19985939	315.433	DNUWBNYSNZULAA-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048175
Cc1c(c(ccc1)O)C=CCN1CCc2c(CC1)sc(n2)N	SCHEMBL7293794,PC-id_88124457	315.433	WHIJAYOBVMAAGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048176
Cc1ccc(C)c(C(=O)CSc2nnc3n2CCCCC3)c1	MCULE-1373160783,EMOLS-id_11874690,PC-id_7876817,CoCoCo_3081558,ZINC22_6097335	315.433	MOYGJELTTACNMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048177
Cc1cc(/C=C/CN2CCc3c(CC2)nc(s3)N)cc(c1)O	SCHEMBL7282798,PC-id_19985848	315.433	LPACNVJOKYABSS-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048178
Cc1ccc(C(=O)CSc2nnc3n2CCCCC3)cc1C	PC-id_24523871,ZINC22_12852242,MCULE-7013306994,EMOLS-id_19758164,CoCoCo_3082251	315.433	LSQJMZNRXGUBKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048179
Cc1ccc(nc1)CCNC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318316107	315.433	CDBSYMGXPWBLAF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048180
Cc1cc(c([nH]1)C)/C=N/NC(=O)c1cc2c(s1)CCCCC2	PC-id_135729370	315.433	LKWHRIXMHVCYAO-VCHYOVAHSA-N	00000000110000000100000000000010000000000000000000000000	31-01-048181
Cc1ccnc(n1)C(NC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_316672513	315.433	MGXLNZXKELKXNK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048182
Cc1ccnc(n1)CNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_318591590,MCULE-5595391057	315.433	SZAHXSVIBNPGKW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048183
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c(s1)CCCC2	MCULE-3888446373,EMOLS-id_319998062	315.433	OXJIIZJCIFIYNF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048184
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCc2c1ccs2	EMOLS-id_320236918,MCULE-9351336073	315.433	AIVIAOKUPRQGEQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048185
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1csc2c1CCCC2	EMOLS-id_318834878	315.433	OWRINWZEIKOGTF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048186
Cc1cncc(c1)CCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320104809,MCULE-2816210950	315.433	HTZIMOGBKMXNOT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048187
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc(n1)C(C)C	EMOLS-id_320122401,MCULE-5393501388	315.433	YHWAGGKNFLHZLM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048188
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccn2c1CCCC2	EMOLS-id_318946415	315.433	DLRPGINQZFUUBO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048189
CCc1ccc(cc1)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_5902011,CoCoCo_5902012	315.433	IWGZANREXUFNQT-NTCAYCPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048190
CCc1ccc(cc1)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_5902013,CoCoCo_5902010	315.433	IWGZANREXUFNQT-QINSGFPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048191
CCc1ccc(cc1)C(=O)CSc1nnc2n1CCCCC2	PC-id_33779994,CoCoCo_5902009	315.433	MGGSBZPYIWYMFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048192
CC(c1ncccn1)NC(=O)c1sc2c(c1)CCCCCC2	MCULE-8459168582,EMOLS-id_320071740	315.433	FOAXZGZUXUCRPW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048193
CC(c1nccnc1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_318642073	315.433	YNRYJXCVMOLVBX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048194
CC(Cc1ccccn1)NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318371327	315.433	AMHVQDQXPCXRBY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048195
CC(C(=O)Nc1sc2c(n1)CCCCCC2)c1ccccn1	EMOLS-id_98047942	315.433	REGKHZBVINPCOT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048196
CC(C(=O)Nc1sc2c(n1)CCCCCC2)c1ccncc1	MCULE-7491938650,EMOLS-id_320056814	315.433	QQKIFFIXTBVXIN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048197
CC(Nc1ccc(cn1)C(=O)N1CCCc2c(C1)ccs2)C	EMOLS-id_318235120,MCULE-8232852995	315.433	KQFNTDKSDWXVIC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048198
CC(Nc1ccc(cn1)C(=O)N1CCCCc2c1ccs2)C	MCULE-5066532940,EMOLS-id_318031694	315.433	ZVJYZJKFNZOYLJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048199
CC(Nc1ncccc1C(=O)N1CCCc2c(C1)ccs2)C	MCULE-9959112796,EMOLS-id_318292220	315.433	RHYNQFLOZNYTLO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048200
CC(NC(=O)N1CCCc2c(C1)ccs2)Cc1cccnc1	EMOLS-id_318756431	315.433	CMQWEONEIZGZJE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048201
CC(NC(=O)N1CCCc2c(C1)ccs2)Cc1ccncc1	EMOLS-id_318337808	315.433	ODHSAJKDQNRTCJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048202
Cn1nc2c(c1NC(=O)c1cc3c(s1)CCCCC3)CCC2	ZINC22_84303485,MCULE-1441626552,PC-id_47777628,EMOLS-id_44549790	315.433	PBTNTSWGXSMIKQ-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-048203
CN(c1ccc(C(=O)Nc2sc3c(CCCCC3)n2)cc1)C	CoCoCo_4546062,EMOLS-id_18846772,MCULE-2458823130,ZINC22_12828480,PC-id_25541050	315.433	ZGFXJEWMGAJFOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048204
CN(C)c1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1	CoCoCo_4546061,MCULE-2185253284,EMOLS-id_16767828,PC-id_17530965,ZINC22_12595568	315.433	YXXSDUXRQRLAHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048205
CN(C)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)cn1	MCULE-5265918344,PC-id_30294601,EMOLS-id_27384267,ZINC22_22419052,CoCoCo_4565291	315.433	KDRCKSVTZPTDNI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048206
CN(C)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)nc1	PC-id_51127759,ZINC22_58406564,EMOLS-id_33364177,MCULE-8217058193	315.433	NGLFAIYAMRFNOW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048207
CN(C(=O)c1nc2c(s1)CCN(CC2)Cc1ccccc1)C	PC-id_97442552	315.433	PTZWEJXMZOKDON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048208
COc1ccc(cc1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7285303,PC-id_19985958	315.433	BDBKLOGNVKIHIS-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048209
COc1ccccc1/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7286045,PC-id_19985747	315.433	JWMSPMRDGUFSEL-GQCTYLIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-048210
COc1cccc(c1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7286116,PC-id_19985956	315.433	SZCUVWZESDZCJI-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048211
CSCc1ccc(NC(=O)c2cnc3n2CCCCC3)cc1	ZINC22_598680931	315.433	AECJMNQKDULMRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048212
Nc1ccc(c(c1)C(=O)Nc1sc2c(n1)CCCCCC2)C	PC-id_120624909	315.433	NVMCUFCQRHKXNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048213
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1C)O	PC-id_19985763,SCHEMBL7285816	315.433	HHKGNPUBFXPMMG-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048214
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1O)C	PC-id_19985711,SCHEMBL7283869	315.433	KBZSTCNDUORERR-ZZXKWVIFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048215
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc(c(c1)O)C	PC-id_19985966,SCHEMBL7284912	315.433	CCUUESDDXBLHQZ-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048216
Nc1nc2c(s1)CCN(CC2)CC=Cc1cc(C)ccc1O	PC-id_54074247,SCHEMBL7291990	315.433	MIOYAJQTNPAURY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048217
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cc(O)ccc1C	SCHEMBL7293626,PC-id_19985733	315.433	ZXLRTZMBKGHAAW-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048218
NCc1ccc(cc1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_301458225,MCULE-1904516371,PC-id_119300561	315.433	NJVXMFGTOLOJCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048219
N#CCCN(CCC#N)C(=O)c1cc2c(s1)CCCCCC2	EMOLS-id_50293174,PC-id_51185640,ZINC22_57027457,MCULE-2939218034	315.433	GRSDZYBNYJMDFT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048220
NC(C(=O)Nc1sc2c(n1)CCCCCC2)c1ccccc1	PC-id_119300565,EMOLS-id_301459249,MCULE-2652818283	315.433	AYQXWSSIPDHBPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048221
O=C(c1c2c(CCCCC2)[nH]n1)NCCSc1ccccc1	EMOLS-id_323250871,MCULE-8068925287	315.433	CCBCKOZVHNQCME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048222
O=C(c1cc2c(s1)CCCCC2)NC1CCCc2c1[nH]nc2	EMOLS-id_100445094,MCULE-4332548369	315.433	PGRKHFAREMTFBO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048223
O=C(c1cc2c(s1)CCCCC2)NC1CCn2c(C1)ccn2	EMOLS-id_319692908	315.433	IJRCYOHQNGXGEC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048224
O=C(c1cc2c(s1)CCCCC2)N[C@@H](c1nccnc1C)C	EMOLS-id_319921206,MCULE-4268988553	315.433	KUKJMQYEOYDDOA-GFCCVEGCSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048225
O=C(c1sc2c(c1)CCCCCC2)N(Cc1ncccn1)C	EMOLS-id_319452595	315.433	PDYGKTKWHVVBQR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048226
O=C(c1sc2c(c1)CCCCCC2)NCCc1ncccn1	MCULE-2686541563,EMOLS-id_320073441	315.433	PNPSGIPZGJNVOT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048227
O=C(Cc1ccncc1C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100481517	315.433	YMSPGYFVZRWNSV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048229
O=C(CC(c1ccccc1)N)Nc1nc2c(s1)CCCCC2	EMOLS-id_302194692,MCULE-2997913124,PC-id_119949287	315.433	JZRGMPPRPZXXMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048230
O=C(C(Cc1ccccc1)N)Nc1nc2c(s1)CCCCC2	PC-id_119277031,MCULE-4215536757	315.433	RKPMSLFUGFRSNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048231
O=C(CCc1ccccn1)Nc1nc2c(s1)CCCCCC2	PC-id_75418193,EMOLS-id_48224868,MCULE-9727460740,ZINC22_68735750	315.433	OGGDUQZZCMNKAV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048232
O=C(CCc1ccncc1)Nc1nc2CCCCCCc2s1	MCULE-1203104971,CoCoCo_494920,ZINC22_19405092,PC-id_46970482,EMOLS-id_30437383,SYN-20030983	315.433	ZUINZYUKQMNMTM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048233
O/C(=CSc1nnc2n1CCCCC2)/c1ccc(c(c1)C)C	CoCoCo_3082252,CoCoCo_3082255	315.433	WFQUKEMNOCKWSH-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048234
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccc(c(c1)C)C	CoCoCo_3082254,CoCoCo_3082253	315.433	WFQUKEMNOCKWSH-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048235
O=C(N1CC(C1)c1[nH]ccn1)c1sc2c(c1)CCCCCC2	EMOLS-id_319509373	315.433	JIHNERRGHBWVHR-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-048236
O=C(N1CCCc2c(C1)ccs2)NCCc1cccc(n1)C	EMOLS-id_318308364	315.433	XXHFYIMUZJFOQU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048237
O=C(N1CCCc2c(C1)ccs2)NCCc1ccc(nc1)C	EMOLS-id_318173129	315.433	HIFAWZQNUGDACM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048238
O=C(N1CCCc2c(C1)ccs2)NCCc1ccncc1C	EMOLS-id_318330195	315.433	RDWBKQITNVUJAS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048239
O=C(N1CCCCc2c1sc(n2)C)CC(c1ccncc1)C	EMOLS-id_319503238	315.433	SDIDRQNRXAJKRU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048240
O=C(N1CCCCc2c1sc(n2)C)CCCc1ccccn1	MCULE-9727993829,EMOLS-id_320202967	315.433	BEWBJMGLWNXOJZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048241
O=C(Nc1cc(C)ccc1C)Nc1nc2c(s1)CCCCC2	PC-id_20966629,CoCoCo_2552408	315.433	ITYHGOVLVQEMBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048242
O=C(Nc1nc2c(s1)CCCCC2)CCc1ccccc1N	EMOLS-id_302414622,MCULE-3407145970,PC-id_120608492	315.433	HCQBRNIHCJIYIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048243
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccccc1C	PC-id_112825159	315.433	WGNSOHNJYXSYDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048244
O=C(Nc1nc2c(s1)CCCCC2)NCCc1ccccc1	PC-id_112825096	315.433	TWDHXBFYRAOROR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048245
O=C(Nc1sc2c(n1)CCCCCC2)Cc1ccc(cc1)N	PC-id_119743799	315.433	WMCLZNNHUSWVBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048246
O=C(NC(c1ccccc1)C)Nc1nc2c(s1)CCCCC2	PC-id_112825201	315.433	ZIFSXGRTCYYMSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048247
O=C(N[C@@H]1CCCc2c[nH]nc12)c1cc2c(s1)CCCCC2	ZINC22_330157199	315.433	PGRKHFAREMTFBO-CYBMUJFWSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048248
O=C(N[C@H]1CCCc2c[nH]nc12)c1cc2c(s1)CCCCC2	ZINC22_330157204	315.433	PGRKHFAREMTFBO-ZDUSSCGKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048249
s1c2C(CCc3ccccc3)CC(=O)NCc2nc1N(C)C	PC-id_50971854	315.433	ZDCOTNOZJBTBBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048250
s1c2CCCCCc2cc1C(=O)NNC=C1C(=NC(=C1)C)C	PC-id_8381153	315.433	DVXVROQIYMIJAO-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-048251
s1c2CCCCCc2nc1NC(=O)CN(c1ccccc1)C	PC-id_56170254	315.433	OLPPLSJDUCLNIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048252
s1c2c(CCCCCC2)c(c1N)C(=O)NNc1ccccc1	PC-id_54580560	315.433	XYUMDMJUTWTOEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048253
s1c2CCN(CCc2nc1N)C/C=C/c1cc(ccc1O)C	PC-id_19985902	315.433	MIOYAJQTNPAURY-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048254
s1c2CCN(CCc2nc1N)CC=Cc1cc(cc(O)c1)C	PC-id_54045136	315.433	LPACNVJOKYABSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048255
s1c2CCN(CCc2nc1N)CC=Cc1c(ccc(O)c1)C	PC-id_54571337	315.433	ZXLRTZMBKGHAAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048256
s1c2CCN(CCc2nc1N)CC=Cc1ccc(OC)cc1	PC-id_53675793	315.433	BDBKLOGNVKIHIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048257
s1c2CCN(CCc2nc1N)CC=Cc1cc(O)c(cc1)C	PC-id_53714517	315.433	CCUUESDDXBLHQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048258
s1c2CCN(CCc2nc1N)CC=Cc1c(c(O)ccc1)C	PC-id_53877438	315.433	HHKGNPUBFXPMMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048259
s1c2CCN(CCc2nc1N)CC=Cc1cc(OC)ccc1	PC-id_54332195	315.433	SZCUVWZESDZCJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048260
s1c2CCN(CCc2nc1N)CC=Cc1c(O)cc(cc1)C	PC-id_53769817	315.433	DNUWBNYSNZULAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048261
s1c2CCN(CCc2nc1N)CC=Cc1c(O)c(ccc1)C	PC-id_53986675	315.433	KBZSTCNDUORERR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048262
s1c2CCN(CCc2nc1N)CC=Cc1c(OC)cccc1	PC-id_53978307	315.433	JWMSPMRDGUFSEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048263
S(c1n2CCCCCc2nn1)C(C(=O)c1ccc(cc1)C)C	PC-id_24371211	315.433	YTLCUPYPURUTOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048264
S(c1n2CCCCCc2nn1)[C@@H](C(=O)c1ccc(cc1)C)C	PC-id_7877069	315.433	YTLCUPYPURUTOS-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048265
S(c1n2CCCCCc2nn1)[C@H](C(=O)c1ccc(cc1)C)C	PC-id_7877070	315.433	YTLCUPYPURUTOS-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048266
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)CC(C)(C)N	ZINC22_82120671,EMOLS-id_44439055,PC-id_70748953,MCULE-9569244833	315.435	MBCUQMGNOSSQGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048267
CCCCN(C)S(=O)(=O)NCc1nnc2n1CCCCC2	PC-id_53498673,EMOLS-id_35701892,ZINC22_48342146,MCULE-3101403514	315.435	APMRCTFWEGUPKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048268
CC(C(CS(=O)(=O)NC1CCn2c(CC1)nnn2)(C)C)C	EMOLS-id_320107534,MCULE-6586211626	315.435	KSQGUXKWSCASNE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048269
CCS(=O)(=O)N1CCc2nnc(CN(C)C(C)C)n2CC1	PC-id_97416014,EMOLS-id_46340365,ZINC22_96100692	315.435	VPDHWSJVHKPGIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048270
CN(C)CCN1CCc2ncc(CNS(=O)(=O)C)n2CC1	ZINC22_96197028,EMOLS-id_44328989,PC-id_97467172	315.435	ALBGTHVUVOVENS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048271
o1c(C(=O)c2c3-c(c(c2)C)ccccc3)cc2c1ccc(OC)c2	PC-id_10925125	316.35	UUHYZXNWHLGMBS-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-048423
S(=O)(=O)(N(Cc1n2CCCCCc2nn1)C)N(CC)CC	PC-id_40161426	315.435	ZVCLJZAFBOAYSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048272
S(=O)(=O)(NC(c1n2CCCCCc2nn1)C)N(CC)CC	PC-id_51080462	315.435	MARDAKRSSOWQKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048273
C[C@@H]1CCO[C@@H]1CS(=O)(=O)N1CCCc2c(C1)ccs2	MCULE-2716812427,EMOLS-id_319967811	315.451	CMZYUCPFRIKXQA-DGCLKSJQSA-N	00000010100000000100000000000010000000000000000000000000	31-01-048274
CCS(=O)(=O)N(C)C(=O)c1cc2c(s1)CCCCCC2	ZINC22_63552377,EMOLS-id_37013865,MCULE-2296911524,PC-id_56800107	315.451	UGDANWVXQRRXOB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048275
COC[C@@]1(C[C@@H]1C)S(=O)(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318869292	315.451	SBQNGXQVXGRUQO-SMDDNHRTSA-N	00100000100000000100000000000010000000000000000000000000	31-01-048276
CS(=O)(=O)CCNC(=O)c1cc2c(s1)CCCCCC2	PC-id_71941217,ZINC22_42092971,EMOLS-id_44496399,MCULE-6226545882	315.451	RXIUMOOYBAFZFW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048277
O=S(=O)([C@H]1COCC1)NCc1cc2c(s1)CCCCC2	PC-id_97317375	315.451	HQBKGWPVIRDZFR-CYBMUJFWSA-N	00000010100000000100000000000010000000000000000000000000	31-01-048278
O=S(=O)([C@@H]1COCC1)NCc1cc2c(s1)CCCCC2	PC-id_97317376	315.451	HQBKGWPVIRDZFR-ZDUSSCGKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-048279
S(=O)(=O)(NCc1sc2c(CCCCC2)c1)C1CCOC1	PC-id_75421464	315.451	HQBKGWPVIRDZFR-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-048280
c1(c2CCCCCc2[nH]n1)C(=O)N1CC2(CC1CC(C2)(C)C)C	EMOLS-id_334761486,MCULE-6045895986	315.453	SUBUJPMSESURMO-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-048281
c1(C(=O)NC(C)C2CC3CC2CC3)c2CCCCCCc2[nH]n1	PC-id_46972845,SYN-20120163,MCULE-6527074952,EMOLS-id_30441267	315.453	DBSJVCSOXDFVEP-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-048282
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(C1CCC1)C1CCC1	EMOLS-id_319299510	315.453	FOYFPGOWYMZPJU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-048283
C[C@H]([C@H]1C[C@@H]2C[C@H]1CC2)NC(=O)c1[nH]nc2c1CCCCCC2	CoCoCo_499833,CoCoCo_499841	315.453	DBSJVCSOXDFVEP-HLPPOEQASA-N	00000010100010000101000000000110000000000000000000000000	31-01-048284
C[C@@H]([C@@H]1C[C@@H]2C[C@H]1CC2)NC(=O)c1[nH]nc2c1CCCCCC2	CoCoCo_499836,CoCoCo_499844	315.453	DBSJVCSOXDFVEP-AYDFFVQHSA-N	00000010100010000101000000000110000000000000000000000000	31-01-048285
C[C@@H]([C@H]1C[C@H]2C[C@@H]1CC2)NC(=O)c1[nH]nc2c1CCCCCC2	CoCoCo_499838,CoCoCo_499846	315.453	DBSJVCSOXDFVEP-KNCOVGOOSA-N	00000010100010000101000000000110000000000000000000000000	31-01-048286
C[C@H]([C@H]1C[C@H]2C[C@@H]1CC2)NC(=O)c1[nH]nc2c1CCCCCC2	CoCoCo_499839,CoCoCo_499847	315.453	DBSJVCSOXDFVEP-HGTKMLMNSA-N	00000010100010000101000000000110000000000000000000000000	31-01-048287
C[C@@H]([C@H]1C[C@@H]2C[C@H]1CC2)NC(=O)c1[nH]nc2c1CCCCCC2	CoCoCo_499840,CoCoCo_499848	315.453	DBSJVCSOXDFVEP-TTZDDIAXSA-N	00000010100010000101000000000110000000000000000000000000	31-01-048288
C[C@@H]([C@@H]1C[C@H]2C[C@@H]1CC2)NC(=O)c1[nH]nc2c1CCCCCC2	CoCoCo_499842,CoCoCo_499834	315.453	DBSJVCSOXDFVEP-FQLMCAECSA-N	00000010100010000101000000000110000000000000000000000000	31-01-048289
C[C@H]([C@@H]1C[C@H]2C[C@@H]1CC2)NC(=O)c1[nH]nc2c1CCCCCC2	CoCoCo_499843,CoCoCo_499835	315.453	DBSJVCSOXDFVEP-NYTXWWLZSA-N	00000010100010000101000000000110000000000000000000000000	31-01-048290
C[C@H]([C@@H]1C[C@@H]2C[C@H]1CC2)NC(=O)c1[nH]nc2c1CCCCCC2	CoCoCo_499845,CoCoCo_499837	315.453	DBSJVCSOXDFVEP-CTASWTNQSA-N	00000010100010000101000000000110000000000000000000000000	31-01-048291
o1c(C(=O)c2c3-c(c(c2)C)ccccc3)cc2c1cc(OC)cc2	PC-id_11109873	316.35	IZUXVKCIYBANKI-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-048424
C[C@@H](NC(=O)c1n[nH]c2c1CCCCCC2)[C@@H]1C[C@H]2CC[C@H]1C2	ZINC22_248376613	315.453	DBSJVCSOXDFVEP-HOSILWTGSA-N	00000010100010000101000000000110000000000000000000000000	31-01-048292
C[C@@H](NC(=O)c1n[nH]c2c1CCCCCC2)[C@H]1C[C@H]2CC[C@H]1C2	ZINC22_248376614	315.453	DBSJVCSOXDFVEP-ORIJERBGSA-N	00000010100010000101000000000110000000000000000000000000	31-01-048293
C[C@H](NC(=O)c1n[nH]c2c1CCCCCC2)[C@H]1C[C@H]2CC[C@H]1C2	ZINC22_248376615	315.453	DBSJVCSOXDFVEP-RZLSGREXSA-N	00000010100010000101000000000110000000000000000000000000	31-01-048294
C[C@H](NC(=O)c1n[nH]c2c1CCCCCC2)[C@@H]1C[C@H]2CC[C@H]1C2	ZINC22_248376616	315.453	DBSJVCSOXDFVEP-YXWQFLTLSA-N	00000010100010000101000000000110000000000000000000000000	31-01-048295
CC([NH+]=c1ccccn1C(=O)c1cc2c(s1)CCCCC2)C	PC-id_30544518,GD-id_ZINC22698413	315.453	QSYDMFOLYVDWPY-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-048296
O=S1(=O)CCCC(C1)CSc1nnc2n1CCCCC2	EMOLS-id_98179255	315.455	FMJVTWQQKKAEQU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-048297
Cc1nn(Cc2nnc3CCC(CCn23)C(C)(C)C)c(C)c1C	MCULE-2304952431,EMOLS-id_337702857	315.456	BGDHPAPRWHWCIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048298
Cc1nn(Cc2nnc3n2CC[C@@H](C(C)(C)C)CC3)c(C)c1C	ZINC22_2100536849	315.456	BGDHPAPRWHWCIQ-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048299
Cc1nn(Cc2nnc3n2CC[C@H](C(C)(C)C)CC3)c(C)c1C	ZINC22_2100536850	315.456	BGDHPAPRWHWCIQ-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048300
FC(CNCc1csc2c1CCCCCCCCCC2)F	PC-id_114749111	315.465	QVJGAOZOLWEHMX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048301
CN(CCc1ccccc1)C1CCc2cc(CO)sc2CC1	CHEMBL4642875	315.473	KXEOTKSBFLAVBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048302
OCc1cc2c(s1)CCC(NCCCc1ccccc1)CC2	CHEMBL4637229	315.473	BHQKYFPBMUXBJD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048303
Nc1nc2c(s1)CCN(CC2)CCCCCc1ccccc1	PC-id_19985830,SCHEMBL7294939	315.476	ZRXBLTSPLWYJSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048304
CCNC(c1cc2c(s1)CCCCC2)CCS(=O)(=O)C	PC-id_115848086	315.494	QQGBJJSBFXFVOE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048305
CCS(=O)(=O)CCCC(c1cc2c(s1)CCCCC2)N	PC-id_104986233	315.494	HNXTULQFFVBIEB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048306
CNC(c1cc2c(s1)CCCCC2)CCCS(=O)(=O)C	PC-id_115820795	315.494	SMMJMRBZSSOFQI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048307
CNC(=C)C(Cc1cn(c2c1CC(CC=C2)C(C)(C)C)CC)N	PC-id_141848246	315.496	MXUUOUUXAVQBRQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-048308
ClC(Cl)(Cl)C(=O)c1c2-c(c(cc(cc2C)C)C)cc1	PC-id_86027884	315.622	YFQDHWIOFHBKJK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048309
Clc1ccc2c(c1C(=O)N1CCCc3c(C1)cco3)[nH]nc2	EMOLS-id_319352416	315.754	SBCLAJADBLUJSP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-048310
Clc1[nH]c2c(n1)C(=Cc1ccc(OC)cc1)C(=O)N(C=C2)C	PC-id_25215798	315.754	CYXFDSRLGQPZMD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-048311
Clc1ccc2c(c1C(=O)N1CCCc3c(C1)c[nH]n3)[nH]nc2	MCULE-7118127001,EMOLS-id_320249622	315.758	GIUQFDRYFCZBGZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-048312
N#Cc1cnc(c(c1)Cl)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674640	315.758	FZSDEVFMYZNZEL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048313
N#Cc1cnc(c(c1)Cl)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319111001	315.758	PHNBGYBOFVOHMU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048314
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1Cc2c1cc(cc2)Cl	EMOLS-id_319151530	315.797	SSLZQZHZOWBURY-UHFFFAOYSA-N	00001000100000100101001000000010000000000000000000000000	31-01-048315
COc1cc(Cl)ccc1CNC1=CCn2c(C=C1)nc(c2)C	PC-id_145416605	315.797	FUPAVXNQAJDBIY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-048316
c1(CN2CCCn3cncc3C2)c2c(cccc2n(C)n1)Cl	PC-id_56881818,EMOLS-id_43056168,MCULE-8848986799	315.801	HOSFCGZEKSDRCR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-048317
CC1CN(Cc2cn3c(n2)ccc(c3)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319349993	315.801	XVMQLGVSODHXHO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-048318
c1(NC(=O)C(C)Cl)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_37178416,PC-id_43470716,MCULE-3754139058	315.816	IUSHBRNARLSWKO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048319
c1(NC(=O)CCCl)sc2c(CCCCC2)c1C(=O)OC	TIMTEC470627,SPECS-id_AK-968/12116588,PC-id_4289403,MCULE-3039542041,CoCoCo_5817381,EMOLS-id_4000812	315.816	UAOSOHAFCDHZNU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048320
c1(NC(=O)CCl)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_815681,TIMTEC82791,PC-id_3472895,MCULE-2868857974,CoCoCo_3780399	315.816	BPXRKUOHWSBUQS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048321
c1(NC(=O)CCl)sc2c(CCCCCC2)c1C(=O)OC	MCULE-5001258499,CoCoCo_6853489,PC-id_4172647,EMOLS-id_841937	315.816	FSHHPVBXDIYBKG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048322
COC(=O)c1c(NC(=O)[C@@H](Cl)C)sc2c1CCCCC2	PC-id_93057511	315.816	IUSHBRNARLSWKO-QMMMGPOBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048323
COC(=O)c1c(NC(=O)[C@H](Cl)C)sc2c1CCCCC2	PC-id_93057512	315.816	IUSHBRNARLSWKO-MRVPVSSYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048324
COC(=O)C(CNC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_103492986	315.816	GSPYTNMXYXOWEK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048325
C=C(Cc1nnc2n1CCCCCC2)Cc1ccc(cc1)Cl	PC-id_142840551	315.84	GURSXQNWIRDJSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048326
CCOC(=O)N1CCc2c(CC1)c(c(s2)C(C)(C)C)Cl	PC-id_68471303,SCHEMBL2997907	315.859	PJMWKNMZNVKDFW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048327
ClC(CN(C(=O)c1sc2CCCCCc2c1)C)COC	PC-id_63397952	315.859	WEEMONWFJNNEJB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048328
ClCCOCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_106306901	315.859	JMQCDCDHLFYIDB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048329
COCC(CCNC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_106244285	315.859	YOIUSTASOJOMIG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048330
COCC(NC(=O)c1cc2c(s1)CCCCC2)CCCl	PC-id_106155837	315.859	VIEIHFITUWLYAN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048331
COCCN(C(=O)c1cc2c(s1)CCCCC2)CCCl	PC-id_116052842	315.859	GGNLTVMSKLRPOT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048332
C1CC2=C(SC=C2C=CC=C1)C(=O)NC3CCC(=O)NC3=O	PC-id_163548111	316.088	FGTZHLPVRTVQNY-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-048333
C1CC2=C(C(=CO2)C(=O)N3CC[C@@H](C3)C(F)(F)F)C(=O)NC1	PC-id_164637036	316.103	BVGYKCHNAISUQO-QMMMGPOBSA-N	00000010100000000100000000000010000000000000000000000000	31-01-048334
C1CC(C(=O)c2c(C1)n(cc2C(=O)O)C(=O)O)Br	PC-id_91608563	316.105	SBALIXQREFKXAA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048335
CC1=NC2=C(S1)CCN(CC2)C(C)C3=CC4=C(C=C3)OCO4	PC-id_154685767	316.125	QNAHKBZOUHYKSU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-048336
C1=CC=CN=CC2=CN=CN2C=CC=CC(=COC=CC=C1)C#N	PC-id_154336038	316.132	VAZGMNCLXBATQF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-048337
CC(C1=NN=C2N1CCCCC2)NCC3=CN4C=CN=C4S3	MCULE-5450862373,PC-id_154783477,EMOLS-id_317751228	316.147	ZGFAWSZWBUKTBN-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-048338
[Se]1CCC[Se]c2sc(=O)sc12	PC-id_13978976	316.161	GYGAXIAEHAPZOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048339
Brc1cc2c(o1)CCN(CC2)C(=O)OC(C)(C)C	PC-id_58179767,SCHEMBL986907	316.191	QRBWEQIMDFPOQD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048340
Brc1oc2CCC(NCc2c1)C(=O)OC(C)(C)C	PC-id_67269056,SCHEMBL2074544	316.191	UQEYPVHPIHIQSI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048341
CC(C)(C)OC(=O)N1CCCc2oc(Br)cc2C1	EMOLS-id_331233602	316.191	MNUOLGJKWXHFJC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048342
Brc1nc2n(CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC22_91302986,PC-id_71305467,EMOLS-id_44478102,MCULE-5578722126	316.194	OFZXWNMTSRHNSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048343
c12CN(CCCn1ncc2Br)C(=O)OC(C)(C)C	MCULE-7269371719,EMOLS-id_317751017	316.194	CGKCURGISZURQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048344
CC(C)(C)OC(=O)N1CCc2c(Br)ncn2CC1	EMOLS-id_48540567,ZINC22_95829423,MCULE-9422431889	316.194	VESBPGMZKBJOBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048345
CC(C)(C)OC(=O)N1CCc2cnc(Br)n2CC1	ZINC22_306544002,EMOLS-id_50368726,MCULE-7219554559	316.194	XHBLPGQQPIZSLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048346
CC(C)(C)OC(=O)N1CCc2ncc(Br)n2CC1	ZINC22_307376252,MCULE-8778076692,EMOLS-id_50081812,PC-id_118798366	316.194	VPOJINOXLDKIJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048347
CC(C)(C)OC(=O)N1CCCn2cc(Br)nc2C1	MCULE-6288075231,ZINC22_687765344,PC-id_135396465,EMOLS-id_317491671	316.194	SKLYANWIAXJMDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048348
n12cc(Br)nc1CNC(C(=O)OC(C)(C)C)CC2	MCULE-1001604734,PC-id_135742528	316.194	YFLBQCPMDYDENM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048349
CC1=CC(=NN1CC(=O)N(C)[C@H]2CCC3=NN=C(N3CC2)C)C	PC-id_164634112	316.201	FJVLZKVRBSQXOY-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048350
Clc1c(Sc2n3CCCCCc3nn2)nc(Cl)nc1	PC-id_79632944	316.21	QQTSCMUVBABYJO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048351
Clc1nnc(Cl)cc1Sc1n2CCCCCc2nn1	PC-id_81765873	316.21	FEGLVKOHBTUSPT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048352
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1(C)CC1(Cl)Cl	EMOLS-id_318971954	316.226	JWTGSASRHWXSTK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048353
BrCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_43133518,EMOLS-id_37516506	316.257	HXVPUQKMSJJXBN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048354
BrCC(NC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_315696790,PC-id_114310502	316.257	MLDMHKRVMMEGQG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048355
BrCCN(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_80659048,EMOLS-id_314494188	316.257	FWFUZEWHWCGZQX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048356
CC(CNC(=O)c1cc2c(s1)CCCCC2)Br	EMOLS-id_314361179,PC-id_114308633	316.257	FNBXPZMWYKIGQN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048357
BrCC1(CC1)CSc1n2CCCCCc2nn1	EMOLS-id_40929189,PC-id_65013539	316.26	RVSLKIDIAPYGCF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048358
Nc1c2nn(c1N)C(C)(O)OS(=O)(=O)OS(=O)(=O)O2	PC-id_141612085	316.269	POFIISCHIUMTJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048359
OC1(NC(=O)c2ncn(c2NC1=O)Cc1ccccc1)C(=O)O	PC-id_10358365	316.269	JBZQUFCICCUZBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048360
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C1Cc2c(c(co2)C(=O)N2CCC(C2)C(F)(F)F)C(=O)NC1	PC-id_136567020	316.276	BVGYKCHNAISUQO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-048363
COC(=O)c1sc(c2c1OCC(CO2)OC(=O)C)C(=O)O	SCHEMBL4984580,PC-id_69267429	316.284	KRRCAIKNFCNWQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048364
O=P(O)(O)CCCCCCn1cnc2c1NC=NCC2O	BindingDB_PC-id_10686866,PC-id_10686866,CHEMBL34434	316.293	JMXCBDOZJPVUPN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-048365
P(=O)(O)(O)CCCCCCn1c2C(O)CN=CNc2nc1	PC-id_10615302	316.293	IJJRBRMQMUDCPT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-048366
Brc1sc2c(c1N)CCCCCCCCCC2	PC-id_114749268	316.3	UTCSNAKORBQJSL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-048367
O=C(c1scc(c1)C(F)(F)F)N1CCCn2c(C1)cnn2	MCULE-6004598800,EMOLS-id_320174563	316.302	MUAPBARXHOHSQE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-048368
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O(c1c(c2-c(c1)ccc(OC(=O)C)cc2)C(=O)OCC)C(=O)C	PC-id_85903441	316.305	CFXWIYHUBKXJAO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048372
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OC(=O)c1cc(C#Cc2ccc3-c2ccccc3)cc(c1)C(=O)O	PC-id_101390426	316.307	VDZHKDPJIQEMKE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-048374
COc1cc(ccc1[N+](=O)[O-])C(=O)N1CCCCc2c1cco2	PC-id_101942643	316.309	MIGONRGIHOPVGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048375
O=C1Nc2c(/C/1=C/c1c3-c(cc1)ccccc3)cc([N+](=O)[O-])cc2	PC-id_59301637,SCHEMBL3283456	316.31	GYUULNWYAWQBAX-YVLHZVERSA-N	00000010100000100110000000001010000000000000000000000000	31-01-048376
O=C1Nc2c(C1=Cc1c3-c(cc1)ccccc3)cc([N+](=O)[O-])cc2	PC-id_68580488,SCHEMBL3283462	316.31	GYUULNWYAWQBAX-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-048377
c1(C(=O)N)cn2c(CCN(CC2)C(=O)c2oc(C)cc(=O)c2)n1	EMOLS-id_331142162,ZINC22_1875248038,MCULE-4082712219	316.312	VTDAIWJWKLCOEU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048378
o1c(C(=O)c2c3-c(c(c2)C)ccccc3)cc2c1c(OC)ccc2	PC-id_11067052	316.35	LOFFUVUCDCVAKX-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-048425
Cn1nc2CCN(CCn2c1=O)C(=O)c1ccc2OCOc2c1	PC-id_91910622,EMOLS-id_50586785,MCULE-5818107617	316.312	JIUWGEZQROFDMA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-048379
COc1cnc(N(C)C(=O)c2coc3c2C(=O)NCCC3)nc1	ZINC22_905221566,EMOLS-id_316976625,MCULE-9449383215	316.312	XSZOOWCMNOZHHQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048380
o1c(CCCn2c3NC=NCC(=O)c3nc2)ccc1C(=O)OC	PC-id_10805344	316.312	MTXZGIVQSRVOER-UHFFFAOYSA-N	00000000101000000111000000000010000000000000000000000000	31-01-048381
O=C(c1coc2c1C(=O)NCCC2)Nc1nn2c(c1)COCC2	EMOLS-id_319229309	316.312	KVNPCUYERIKJLL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048382
O=C(N1CCc2c(CC1)[nH][nH]c2=O)Nc1ccc2c(c1)OCO2	PC-id_118786638,EMOLS-id_68923374,MCULE-7225785687	316.312	LJQVCMHEQMGXFC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-048383
O=C(O)c1ccccc1OCCn1cnc2c1NC=NCC2O	CHEMBL1206625,PC-id_10497204	316.312	ROJINXWZZMSWRW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-048384
O=C(O)c1cccc(OCCn2cnc3c2NC=NCC3O)c1	CHEMBL1204967,PC-id_10735720	316.312	QTLYKVYIGUSASN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-048385
[O-][N+](=O)c1c(Nc2nc3-c(c2)ccccc3)nc2-c1ccccc2	PC-id_101439652	316.313	WYNYOCRRGPSZEN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048386
Cn1ncc(NC(=O)c2cc3n(c2)CCCNC3=O)c1C(=O)N	ZINC22_2325840628	316.315	JEDWRIHNIQIQKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048387
O=C(Nc1ccc2c(c1)OCO2)NC1CCn2c(CC1)nnn2	EMOLS-id_102023773	316.315	JQONNINYBHUVIY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-048388
O=C(Nc1cccc2c1OCO2)NC1CCn2c(CC1)nnn2	EMOLS-id_102016516	316.315	HFLRBHRZQGWOIG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-048389
FC(F)(F)C(=CC=CC(=CC=O)C)c1c2-c(cc1)ccccc2	PC-id_54171178	316.317	OVDIBLDIRSUYJN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048390
FC(F)(F)/C(=C/C=C/C(=C/C=O)/C)/c1c2-c(cc1)ccccc2	PC-id_57983845,SCHEMBL9249216	316.317	OVDIBLDIRSUYJN-CEEANWGVSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048391
CN1CC(C(C1)C(F)(F)F)C(=O)N1CCCc2c(C1)cco2	MCULE-9326011889,EMOLS-id_319997252	316.319	TVMJYGHLWRWSAZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-048392
O=C(c1noc2c1CCCCC2)NC(C(F)(F)F)(C1CC1)C	EMOLS-id_101169339	316.319	GFZNZFPNEREBQT-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048393
O=C(c1noc2c1CCCCC2)NC(C(F)(F)F)C1CCC1	MCULE-8933880935,EMOLS-id_320088439	316.319	DGPSETDGVKOEBU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-048394
O=C(N1CCCc2c(C1)cco2)CC(C(F)(F)F)NC1CC1	MCULE-5837876084,EMOLS-id_319969237	316.319	HXCAQMHNRZFBAY-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-048395
CN1CC(C(C1)C(F)(F)F)C(=O)N1CCCc2c(C1)c[nH]n2	MCULE-9608184148,EMOLS-id_319995616	316.322	NXLKMRIQBGUQLI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-048396
O=C(N1CCCc2c(C1)cnn2C)NC(C(F)(F)F)C1CC1	EMOLS-id_101866788	316.322	OSRLWOZXCAYFSD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048397
Cc1ccc(CNC(=O)c2coc3c2C(=O)NCCC3)cc1F	MCULE-3257388355,ZINC22_905538464,PC-id_136561045,EMOLS-id_316991605	316.327	VDYNBZOREIUOLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048398
COc1ccc(c(c1)F)N(c1c[nH]c2c1C(=O)CCCC2)C=O	SCHEMBL7394790,PC-id_88136623	316.327	KDAGJCXTKMWVNW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048399
COc1cc(c(cc1)F)N(C=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_88137382,SCHEMBL7398773	316.327	VVCSLWFGRICRQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048400
COc1ccc(c(c1)F)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_9904990,SCHEMBL7359461	316.327	OVIGGAOMLUKHDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048401
COc1ccc(c(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)F	SCHEMBL7358902,PC-id_57279263	316.327	RHCNIHOJZNUULS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048402
COc1cc(C=O)c(cc1OCc1nc2c([nH]1)CCCC=C2)F	PC-id_143712904	316.327	QEIVPGTVWGIPMA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-048403
s1c(c2OCC(O)COc2c1C(=O)OCC)C(=O)OCC	PC-id_21022208	316.327	KEFHLFLDXJBHLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048404
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC)cc1	CHEMBL1355890,PC-id_16028423	316.33	KXBTZEXLUKONDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048405
Fc1cc(CN2CCCn3nc(cc3C2=O)C(=O)NC)ccc1	PC-id_53034541	316.33	ANTOBQJSXDYMQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048406
O=[N+](Oc1ccc2-c1ccccc2)Oc1ccc2-c1ccccc2	SCHEMBL8698277,PC-id_67665920	316.33	OCWXUESAMLSSRB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048407
O=C1CCCN(c2c1scc2)C(=O)c1ccccc1[N+](=O)[O-]	PC-id_67693899,SCHEMBL8796415	316.332	AOZFXJZFXGPLPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048408
O=C(C1CCNc2c(C1=O)scc2)c1ccc(cc1)[N+](=O)[O-]	SCHEMBL8881914,PC-id_19029051	316.332	XJGTZEPZLXVSPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048409
O=C(N1CCCC(=O)c2c1ccs2)c1ccc(cc1)[N+](=O)[O-]	PC-id_19699065,SCHEMBL5236885	316.332	SSGAUMPJBTYPGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048410
Fc1ccc2c(c1)CCN2C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161059	316.333	IEYJFQLEWFFLAT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-048411
Fc1ccc2c(c1)N(CC2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102159040	316.333	RGICKJVPTHJWJM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-048412
O=C(N1CCc2c1cccc2F)NC1CCn2c(CC1)nnn2	EMOLS-id_102167143	316.333	UJSCKTNZTXTXSN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-048413
CC(C)c1c2-c(cc(c2C(=O)OC)C(=O)OC)c(ccc1)OC	PC-id_134982613	316.348	JPIVUJHASFMARW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048414
CCCCOc1c(C(=O)OC)c2-c(c1C(=O)OC)ccccc2	PC-id_141346754	316.348	XVGOVABDWYRTKT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048415
CCCCOC(=O)c1c(OC)c(c2-c1ccccc2)C(=O)OC	PC-id_141346779	316.348	FHYCMLQCGPLMMM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048416
CCCOC(=O)c1c(OC)c(c2-c1ccccc2)C(=O)OCC	PC-id_141346786	316.348	SWZPPUUZYKGKJS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048417
CCCOC(=O)c1c(OCC)c(c2-c1ccccc2)C(=O)OC	PC-id_141346755	316.348	MSVXTMSWWPFJSP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048418
CCOc1c(C(=O)OCC)c2-c(c1C(=O)OCC)ccccc2	PC-id_141346764	316.348	KSGKSIYEENYXMI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048419
CCOC(=O)c1c(CC(=O)OC)cc2-c1ccccc2OCC	PC-id_102293862	316.348	FEPZMRDUIINTOZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048420
CCOC(=O)c1c(OC)c(c2-c1ccc(cc2C)C)C(=O)OC	PC-id_141346778	316.348	UGAUUMZWDGHMAP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-048421
N#Cc1cc(CN2Cc3cn[nH]c3CC(C2)(C)C)c(cc1F)F	EMOLS-id_318927801	316.348	AHDIUIFNISHGKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048422
O(C(=O)c1c2-c(c(c1)/C=C/C(=O)c1ccccc1)ccccc2)C	PC-id_10495609	316.35	ZMIBTQZXLOSZPF-OUKQBFOZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-048426
O(C(=O)c1c2-c(c(c1)C=CC(=O)c1ccccc1)ccccc2)C	PC-id_85159782	316.35	ZMIBTQZXLOSZPF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-048427
O(C(=O)c1c2-c(c(c1)C(=O)/C=C/c1ccccc1)ccccc2)C	PC-id_10781672	316.35	BTSDLTUTDHEYLI-OUKQBFOZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-048428
O(C(=O)c1c2-c(c(c1)C(=O)C=Cc1ccccc1)ccccc2)C	PC-id_85265941	316.35	BTSDLTUTDHEYLI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-048429
c1(C(=O)c2cc(OC)ccc2OC)n(O)c2c(CCCCC2)n1	CHEMBL1607212,PC-id_666948,ZINC22_2334177,BindingDB_PC-id_666948,STOCK5S-50516,CoCoCo_1879477,MCULE-5183360727,EMOLS-id_4685366,BindingDB-id_69365	316.352	GDHHRLOIWDLGAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048430
c1(C(=O)Nc2ccc(cc2OC)OC)c2CCCCCc2on1	PC-id_4053938,STOCK6S-92986,TIMTEC273696,ZINC22_426570,MCULE-3735633102,EMOLS-id_15972046	316.352	KUVRDLQIFBERHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048431
c1(C(=O)Nc2ccc(c(OC)c2)OC)c2CCCCCc2on1	PC-id_4257432,EMOLS-id_24354908,STOCK6S-87970,MCULE-1176202032,ZINC22_426575	316.352	ZGHSKLFXHYXYAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048432
c1(C(=O)Nc2cc(OC)cc(OC)c2)c2CCCCCc2on1	EMOLS-id_29921351,MCULE-1855693604,STOCK6S-87231,PC-id_45491374,ZINC22_36354078	316.352	SVLVLZXXSKKDQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048433
c1(C(=O)Nc2c(OC)ccc(OC)c2)c2CCCCCc2on1	ZINC22_61721245,STOCK7S-15861,EMOLS-id_35789720,PC-id_52901953,MCULE-3584518777	316.352	UBDPWBJXFYTQFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048434
COc1ccc(C(=O)c2nc3c(n2O)CCCCC3)cc1OC	EMOLS-id_44000659,ZINC22_210511,MCULE-5817867162,CoCoCo_1842197,ChEMBL-DNDi_CHEMBL5794-0982,PC-id_4246330	316.352	MUVZUYIEEYBSRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048435
COCOc1ccc(cc1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_319494041	316.352	IWBUHZNIYFEMTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048436
Oc1ccc(cc1)C(CNC(=O)c1noc2c1CCCCC2)O	EMOLS-id_320260762,MCULE-1882873767	316.352	XBDSBWVLIHKJGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048437
OCc1cc(cc(c1)CO)NC(=O)c1noc2c1CCCCC2	EMOLS-id_278443064	316.352	PFHZTITUNUZYBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048438
O=C(c1noc2c1CCCCC2)N1CCOC(C1)c1ccco1	EMOLS-id_111424089	316.352	MVIWRYJUEDYUQO-UHFFFAOYSA-N	00000000101010000101100000000010000000000000000000000000	31-01-048439
O=C(N1CCCc2c(C1)cco2)CCN1C(=O)C(=C(C1=O)C)C	EMOLS-id_258085453,MCULE-2974780539	316.352	YUEZBWKTRAIBAY-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-048440
O=C(NCCc1ccc(O)c(O)c1)c1noc2c1CCCCC2	MCULE-4658653330,PC-id_99702495,EMOLS-id_53781665,ZINC22_156390731	316.352	APLMNKOQQQVQMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048441
O=C(OCCCn1ccccc1=O)c1noc2c1CCCCC2	PC-id_91650340,ZINC22_158895784,MCULE-9254174822,EMOLS-id_50354357	316.352	OPDXOQYUGBPEGY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048442
COC1=CCC=c2c(=C1)[nH]c(c2C#N)C#Cc1cccc(c1)OC	PC-id_143185297	316.353	XNATWSXFVDBTLH-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-048443
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1cccn1C	MCULE-7487089030,ZINC22_72431879,EMOLS-id_43129295,PC-id_56899740	316.355	CNPAGJBXKWPVQD-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-048444
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1ccnc(OC)c1	MCULE-3352243675,EMOLS-id_55648957,PC-id_91776284	316.355	ZXWKEIJAOMRYGV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048445
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(F)ccc1	PC-id_78620852	316.393	SSBRWMPGZAUIOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048693
c1(c(=O)cc(n(C)c1)C)C(=O)N1CCCn2nc(CO)cc2C1	PC-id_91779447,MCULE-2045293434,EMOLS-id_55658208	316.355	KAHVPCKNAOQKDG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048446
Cc1cc(no1)C(=O)N1CC(COCC=C)Cn2nccc2C1	EMOLS-id_44326961	316.355	SZCTVEYPLPDEPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048447
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncoc1C1CCCO1	EMOLS-id_320301954,MCULE-3351525540	316.355	IHYPKFTUSNYPFC-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-048448
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCNC(=O)c1ccco1	EMOLS-id_319296512	316.355	LDPSTBZNLQNTJH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-048449
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1c(C)cc(cc1=O)O	MCULE-8531204990,EMOLS-id_319915308	316.355	NIHLHVQCDNHFFU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048450
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CNC(=O)c1ccoc1C	EMOLS-id_319553359	316.355	WMZISRHAVBHDIB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-048451
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(NC(=O)c1cocc1)C	EMOLS-id_318885504	316.355	YYSYGZDXLPPWHZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-048452
Cc1nc(C2(NC(=O)c3noc4c3CCCCC4)CCC2)no1	MCULE-8036942016,EMOLS-id_49965852,PC-id_86802863,ZINC22_97103001	316.355	NLINXRYJPNMAPR-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-048453
Cc1occc1C(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_50590145,MCULE-8042791381,PC-id_91922545	316.355	VOZZUTOPYRQXKD-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-048454
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CCOc1ccc(cc1)C(=O)N1CCc2nn(C)c(=O)n2CC1	MCULE-1471164374,EMOLS-id_50586459,PC-id_91910616	316.355	QFAIRJYGSDTTAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048457
CCOc1ccccc1NC(=O)C1CCCCc2n[nH]c(=O)n12	MCULE-9099929725,EMOLS-id_207869269	316.355	PHXMUUDCKJJCLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048458
CCOc1cc(O)ccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319683922	316.355	SEQUZWILWFNMKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048459
CCOC1CN(Cc2ccnn2C1)C(=O)c1cc(on1)C1CC1	EMOLS-id_50011212	316.355	ZNDPPZWIVUFNRE-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048460
CCO[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn2C1	ZINC22_253387198	316.355	ZNDPPZWIVUFNRE-CYBMUJFWSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048461
CCO[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn2C1	ZINC22_253387199	316.355	ZNDPPZWIVUFNRE-ZDUSSCGKSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048462
Cn1c(=O)n2CCN(CCc2n1)C(=O)COCc1ccccc1	PC-id_91922405,MCULE-5229965456,EMOLS-id_50585897	316.355	KHDYVCAUZFLZBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048463
CN(Cc1nnc2CCOCCn12)C(=O)OCc1ccccc1	EMOLS-id_336517570	316.355	UJJAXHICSNSMNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048464
COc1ccccc1CCC(=O)N1CCc2n[nH]c(=O)n2CC1	EMOLS-id_50585821,MCULE-4562548159,PC-id_91922360	316.355	MMRHVLPMDZDROK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048465
COc1ccccc1CC(=O)N1CCc2nn(C)c(=O)n2CC1	MCULE-2769288507,EMOLS-id_50585899,PC-id_91910629	316.355	DUHWSFVKFQUKIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048466
COc1ccccc1CNC(=O)C1CCCCc2n1c(=O)[nH]n2	EMOLS-id_207869217,MCULE-2567903494	316.355	LEIZIVVTOYRRIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048467
COc1cccc(c1C(=O)NCc1nnc2n1CCCCC2)O	EMOLS-id_278505959	316.355	SUZODPATVULXPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048468
COc1ccccc1NC(=O)Cn1nc2CCCCCn2c1=O	MCULE-5092527660,PC-id_36422368,SPECS-id_AT-687/NB01941,EMOLS-id_24035665,CoCoCo_4406388,ZINC22_29235646	316.355	XANXFIQFGRFDKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048469
COc1cc(cc(c1)OC)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319098841	316.355	GLJKNMBYQPGJSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048470
COc1cccc(CCC(=O)N2CCc3n[nH]c(=O)n3CC2)c1	EMOLS-id_50586589,PC-id_91910590,MCULE-4500063906	316.355	MYCWJNCLKUSATB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048471
COc1cccc(CC(=O)N2CCc3nn(C)c(=O)n3CC2)c1	EMOLS-id_49731323,PC-id_91910613,MCULE-4810695615	316.355	VOQNHMNDPUYVFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048472
COc1cccc(NC(=O)Cn2nc3CCCCCn3c2=O)c1	CoCoCo_4406363,ZINC22_15565747,EMOLS-id_16769015,MCULE-6707234986,SPECS-id_AT-687/NB01938,PC-id_17531289	316.355	YGYDQLHPVLPSJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048473
COc1ccc(C(=O)NCc2nnc3n2CCCCC3)c(O)c1	EMOLS-id_30708832,MCULE-1431721335,PC-id_46524797,ZINC22_45827493	316.355	OAAJGFOWSZHKHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048474
COc1ccc(NC(=O)Cn2c(=O)n3c(CCCCC3)n2)cc1	EMOLS-id_18874312,MCULE-3463896951,SPECS-id_AT-687/NB01934,CoCoCo_4406373,ZINC22_24746743,PC-id_32063349	316.355	ICOJEYCUZWOFDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048475
COc1ccnc(c1C(=O)N1CCCc2c(C1)cnn2C)OC	MCULE-7341762606,EMOLS-id_316413749	316.355	CMSZEROCDJYCLX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048476
COc1ccnc(c1NC(=O)c1n[nH]c2c1CCCCC2)OC	EMOLS-id_319163231	316.355	SVDVJSDVYHPURM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048477
COc1ccnc(O)c1C(=O)N1Cc2c[nH]nc2CC(C)(C)C1	EMOLS-id_316185945,MCULE-4248145463,ZINC22_952892143	316.355	KRZXHJMGQUOVQR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048478
COc1c[nH]c(cc1=O)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319609554	316.355	NKAFJEKIPPXUNR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048479
COc1nccc(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99974535	316.355	ZXWKEIJAOMRYGV-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048480
COc1nccc(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99974536	316.355	ZXWKEIJAOMRYGV-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-048481
COCC1CCn2nccc2CN1C(=O)c1cc(on1)C1CC1	EMOLS-id_313823011	316.355	UCWOUOOHDHHKQM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048482
COCC1CN(Cc2cncn2C1)C(=O)c1cccnc1OC	EMOLS-id_49235813	316.355	MAGFRRQMZVTFRP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048483
COC[C@H]1CCn2nccc2CN1C(=O)c1cc(C2CC2)on1	ZINC22_585098093	316.355	UCWOUOOHDHHKQM-CYBMUJFWSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048484
COC[C@@H]1CCn2nccc2CN1C(=O)c1cc(C2CC2)on1	ZINC22_585098094	316.355	UCWOUOOHDHHKQM-ZDUSSCGKSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048485
COC[C@H]1CN(C(=O)c2cccnc2OC)Cc2cncn2C1	ZINC22_96217133,PC-id_97484191	316.355	MAGFRRQMZVTFRP-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048486
COC[C@@H]1CN(C(=O)c2cccnc2OC)Cc2cncn2C1	ZINC22_96217134,PC-id_97484192	316.355	MAGFRRQMZVTFRP-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048487
COCC(=O)N1Cc2cncn2C[C@H](COc2ccccn2)C1	ZINC22_96207336,PC-id_97475463	316.355	OBXMIOSZKGWATK-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048488
COCC(=O)N1Cc2cncn2C[C@@H](COc2ccccn2)C1	ZINC22_96207337,PC-id_97475464	316.355	OBXMIOSZKGWATK-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048489
COCC(=O)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	PC-id_97462471,ZINC22_96188024	316.355	GLSKMKJQXHPJGU-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048490
COCC(=O)N1Cc2nccn2C[C@H](COc2cccnc2)C1	ZINC22_96188021,PC-id_97462468	316.355	GLSKMKJQXHPJGU-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048491
COCC(=O)N1CC(COc2ccccn2)Cn2cncc2C1	EMOLS-id_49229997	316.355	OBXMIOSZKGWATK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048492
COCC(=O)N1CC(COc2cccnc2)Cn2ccnc2C1	PC-id_118739329,EMOLS-id_44326003	316.355	GLSKMKJQXHPJGU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048493
COC(=O)c1ccc(C(=O)N2Cc3c[nH]nc3CC(C)(C)C2)[nH]1	MCULE-7537473849,ZINC22_952892426,EMOLS-id_316184410	316.355	NKEPEJCAINUVDO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-048494
COC(=O)Nc1ccccc1OCc1nnc2n1CCCCC2	EMOLS-id_318686847	316.355	QKBYMOBADBUNBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048495
n1c(C(CO)O)cc2CN(CCCn12)C(=O)Cc1ccncc1	PC-id_91795733,EMOLS-id_55705740,MCULE-3949120155	316.355	IHNFFCVXLUMBEK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048496
Oc1ccnc(n1)CCN(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_319344169	316.355	TXCQIHDATXDCRO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048497
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(ccc1O)C	PC-id_60562079	316.355	YZCMAXAGQFGCFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048498
O(C1Nc2n(Cc3ccc(OC)cc3)cnc2C(=O)NC1)CC	PC-id_71770023	316.355	ACDRBCSZEDNYKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048499
Oc1[nH]nc(c1)C1CCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_316725879	316.355	QPFLBJFKDLHIKI-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-048500
OCc1cccc(c1)NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_109892073	316.355	IQULJTLACAIQOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048501
O=C(c1ccco1)N1CCCn2nnc(COCC3CC3)c2C1	PC-id_97519077,ZINC22_96258987,EMOLS-id_44369524	316.355	VVOYQSNMCKYICP-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-048502
O=C(c1ccncc1)N1CCCn2cnc(COCCO)c2C1	PC-id_97405881,EMOLS-id_46183147,ZINC22_96085063	316.355	YNGCSMJGKWDNHX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048503
O=C(c1ccoc1)N1CCCn2nnc(COCC3CC3)c2C1	ZINC22_96256075,PC-id_97517031,EMOLS-id_44369468	316.355	UVQJPFSGZDCVJY-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-048504
O=C(c1coc2c1C(=O)NCCC2)N1CCC(CC1)C1(C)N=N1	MCULE-1745406545,EMOLS-id_320163708	316.355	CKDBDPHKICBRNB-UHFFFAOYSA-N	00110000100010000101100000000010000000000000000000000000	31-01-048505
O=C(c1conc1C1(C)COC1)N1CCCc2c(C1)cnn2C	EMOLS-id_319813559	316.355	LJRSINXDPUNLAQ-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-048506
O=C(c1noc2c1CCCCC2)N1CC(C1)(O)c1nccn1C	EMOLS-id_319547265	316.355	HJEVVWITXIRMQC-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-048507
O=C(c1noc2c1CCCCC2)N1CCc2c(C1)n(C)nc2O	EMOLS-id_320030374,MCULE-5897149219	316.355	RETHGKOINOXVQT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048508
O=C(c1noc2c1CCCCC2)N1CCCCC1c1ncon1	EMOLS-id_101038687	316.355	CWWQLOSSESEKRH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048509
O=C(c1noc2c1CCCCC2)N1CCC(CC1)c1ncon1	EMOLS-id_318907495	316.355	ZXPKQQLQOQUJRD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048510
O=C(c1noc2c1CCCCC2)N1CCCC(C1)c1ncon1	EMOLS-id_319419851	316.355	RANLNQKZKKALJF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048511
O=C(c1noc2c1CCCCC2)NC1CC(C1n1cccn1)O	EMOLS-id_316560991	316.355	WKRJQSLAAVXLLY-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-048512
O=C(c1noc2c1CCCCC2)NCc1n[nH]c2c1COCC2	MCULE-8557893833,EMOLS-id_320104070	316.355	OXBALVZFXMBBFF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048513
O=C(Cc1ccncc1)N1CCCn2nc([C@@H](O)CO)cc2C1	ZINC22_223690482,PC-id_100293077	316.355	IHNFFCVXLUMBEK-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048514
O=C(Cc1ccncc1)N1CCCn2nc([C@H](O)CO)cc2C1	ZINC22_223690547,PC-id_100293090	316.355	IHNFFCVXLUMBEK-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048515
OCCOc1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278655763	316.355	XMFJAIIFMBBBON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048516
OCCOc1ncccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319269509	316.355	DWDHYNZDLWLRET-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048517
O[C@H](c1ccc(cc1)[N+](=O)[O-])Cn1nnc2c1CCCCCC2	PC-id_101500701	316.355	JZRPREGEOGNNMB-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048518
O=C(N1CCOc2c1c(C)nn2C)c1noc2c1CCCCC2	EMOLS-id_111947418	316.355	XLAUMQWQINLEPT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048519
c12C(CCCCn1nnn2)C(=O)NCc1cccnc1OCC	MCULE-7991357749,EMOLS-id_49680754,PC-id_74250630	316.358	NQPZTSQQPTUDLJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048520
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1cnc(nc1C)N	EMOLS-id_55665371,MCULE-1191781336,PC-id_91781922	316.358	BQOYSWOVJJMCHG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048521
c12CN(CCCn1nc(CNc1cc(OC)ncn1)c2)C(=O)C	MCULE-9461916392,ZINC22_82134098,EMOLS-id_44443155,PC-id_70760940	316.358	XWUPBPAPQKXETJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048522
c1(cc2n(CCCNC2)n1)C(=O)N1CCCC1c1c(C)non1	PC-id_50970245,EMOLS-id_32410002,MCULE-1288451963	316.358	HMCYMEAGROCOIX-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-048523
c1(C(=O)N2CCC(C2)c2onc(C)n2)nnc2CCCCCn12	MCULE-9248526665,PC-id_118791930,EMOLS-id_68933907	316.358	LHQRBHIMMSDXRM-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-048524
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nnn(c1)[C@@H]1CC[C@H]1O	EMOLS-id_319177440	316.358	UAXWPAJSDQWPLD-AVHHSYQXSA-N	00001000100000000101100000000010000000000000000000000000	31-01-048525
Cc1ncc(C)c(NC(=O)Cn2nc3n(c2=O)CCCCC3)n1	ZINC22_1875270295,PC-id_146137929	316.358	WKNXXRVGPNOMTM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048526
s1c2CCCCCc2cc1C(=O)NN=Cc1c(F)cccc1	PC-id_78620851	316.393	WBUDBYMIQVVSCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048694
Cc1noc([C@@H]2CCN(C(=O)c3nnc4n3CCCCC4)C2)n1	ZINC22_299795030	316.358	LHQRBHIMMSDXRM-LLVKDONJSA-N	00000010100000000101100000000010000000000000000000000000	31-01-048527
Cc1noc([C@H]2CCN(C(=O)c3nnc4n3CCCCC4)C2)n1	ZINC22_299795044	316.358	LHQRBHIMMSDXRM-NSHDSACASA-N	00000010100000000101100000000010000000000000000000000000	31-01-048528
Cc1nonc1[C@H]1CCCN1C(=O)c1cc2n(n1)CCCNC2	PC-id_95132088,ZINC22_65428897	316.358	HMCYMEAGROCOIX-CYBMUJFWSA-N	00000010100000000101100000000010000000000000000000000000	31-01-048529
Cc1nonc1[C@@H]1CCCN1C(=O)c1cc2n(n1)CCCNC2	ZINC22_65428894,PC-id_95132087	316.358	HMCYMEAGROCOIX-ZDUSSCGKSA-N	00000010100000000101100000000010000000000000000000000000	31-01-048530
C#CCCC1(CCC(=O)NCc2nnc3n2CCOCC3)N=N1	ZINC22_952881481	316.358	OLZXCLPIITVJLL-UHFFFAOYSA-N	00110000100000000101000000000010000000000000000000000000	31-01-048531
CC(C)NC(=O)c1ncn2c1CN(C(=O)c1cc[nH]n1)CCC2	EMOLS-id_313786430,ZINC22_1565553262	316.358	QTIFQRDTQTYIMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048532
C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCn4nncc4C3)n[nH]c12	EMOLS-id_323965145,ZINC22_1875395119,PC-id_146111441,MCULE-9515519216	316.358	MDDWLCHXCIVSJV-ZJUUUORDSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048533
CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cc[nH]n1)CCC2	ZINC22_1565547837,EMOLS-id_313766594	316.358	OHKBFHDERPKTDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048534
CCOc1ncccc1CNC(=O)[C@H]1CCCCn2nnnc12	PC-id_97941093,ZINC22_97813699	316.358	NQPZTSQQPTUDLJ-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048535
CCOc1ncccc1CNC(=O)[C@@H]1CCCCn2nnnc12	ZINC22_97813698,PC-id_97941092	316.358	NQPZTSQQPTUDLJ-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048536
CC(=O)N1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1	PC-id_97467225,ZINC22_96197081,EMOLS-id_44329085	316.358	DRHQLBJUIWSCIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048537
CC(=O)NCC(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1	ZINC22_96188584,PC-id_97463018	316.358	NJEYOHMALIVQRO-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048538
CC(=O)NCC(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	ZINC22_96188585,PC-id_97463019	316.358	NJEYOHMALIVQRO-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048539
CC(=O)NCC(=O)N1CC(Cn2cccn2)Cn2ccnc2C1	PC-id_118741151,EMOLS-id_44326427	316.358	NJEYOHMALIVQRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048540
Cn1cccc1C(=O)NCc1cnc2CCN(CCn12)C(=O)N	ZINC22_96197074,PC-id_97467218,EMOLS-id_44329073	316.358	IUKRAKYVMWZRIQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-048541
Cn1ccnc1C(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922453,EMOLS-id_50585771,MCULE-7133414511	316.358	AXTURDIODAWZIF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048542
Cn1cnc(c1)C(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922446,EMOLS-id_50585761,MCULE-5616443540	316.358	DPAHPEOZJXXQML-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048543
Cn1nc2CCC(CCn2c1=O)NC(=O)c1cc([nH]n1)C1CC1	EMOLS-id_50586273,MCULE-1633982336,PC-id_91910907	316.358	IYFXQTZJSFLSRG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048544
CN(C)CC1CCn2nccc2CN1C(=O)c1cc(O)ncn1	EMOLS-id_313815853,PC-id_137212874	316.358	RXSFMAULCKCITG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048545
CN(C)C[C@H]1CCn2nccc2CN1C(=O)c1cc(O)ncn1	PC-id_137186397,ZINC22_585097851	316.358	RXSFMAULCKCITG-LLVKDONJSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048546
CN(C)C[C@@H]1CCn2nccc2CN1C(=O)c1cc(O)ncn1	ZINC22_585097854,PC-id_137186398	316.358	RXSFMAULCKCITG-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-048547
CNC(=O)c1cc(nn1C)NC(=O)c1cnc2n1CCCCC2	MCULE-3692617276,EMOLS-id_319919631	316.358	MHFGGVDVHLSRKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048548
COc1ccc(c(n1)C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318846254	316.358	SLPLRQSHNDDGNG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048549
COc1ccc(nc1)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320229351,MCULE-6281507987	316.358	SHPMFGCNXZKGEE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048550
COc1ccc(NC(=O)NCc2nnc3n2CCCCC3)cn1	MCULE-9405286008,PC-id_45826926,ZINC22_44950874,EMOLS-id_31974984	316.358	XOIZLCWHFFSHLW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048551
COc1ncccc1CNC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-7423583189,EMOLS-id_319858102	316.358	IZUBRXFMIRJOPD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048552
COc1ncc(cc1NC(=O)N1CCCn2c(C1)cc(n2)N)C	MCULE-4010649113,EMOLS-id_320042155	316.358	HOWCWMXFNNBBJG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048553
COc1ncccc1NC(=O)NCc1nnc2n1CCCCC2	PC-id_51082456,EMOLS-id_31983006,MCULE-3923051509,ZINC22_48280203	316.358	SKOYJUJYGPQOOJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048554
COCc1ccnc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319746966	316.358	BXYNWVOWPIXBCX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048555
Nc1ncc(c(n1)C)C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99978404	316.358	BQOYSWOVJJMCHG-SNVBAGLBSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048556
Nc1ncc(c(n1)C)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99978405	316.358	BQOYSWOVJJMCHG-JTQLQIEISA-N	00000000100000100101000000000010000000000000000000000000	31-01-048557
OC1CC(C1)C(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_313782423	316.358	MGPBZOAFRNWPCK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-048558
Oc1cc(cc(n1)C(C)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102180969	316.358	OWJLEHYQFOUTMR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048559
O=C(c1cc2n(n1)CCCO2)NCc1nnc2n1CCCCC2	EMOLS-id_100783928	316.358	LTIFAKJGMOFIFM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048560
O=C(C1CCCO1)N1CCCn2c(Cn3ccnc3)nnc2C1	CHEMBL3553632,PC-id_118742493,EMOLS-id_44370856	316.358	FYAXMHJWBDTBAW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-048561
O=C(C1CCn2c(CC1)nnc2)NC1CC(C1n1cccn1)O	EMOLS-id_316566612	316.358	JWTYNZBBMJHLMW-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-048562
O=C(c1cc[nH]n1)N1CCCn2nnc(COCC3CC3)c2C1	EMOLS-id_46181767,PC-id_97405206,ZINC22_96084379	316.358	FLTLGUILUNUCGM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048563
O=C(C1CC(O)C1)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_1565542331	316.358	MGPBZOAFRNWPCK-HIFPTAJRSA-N	00001000100000000101000000000010000000000000000000000000	31-01-048564
O=C(C1CC(O)C1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_1614947760	316.358	MGPBZOAFRNWPCK-PNESKVBLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-048565
O=C(C1CCOC1)N1CCc2nnc(Cn3cccn3)n2CC1	EMOLS-id_313725658	316.358	HJHRXEMQVBSBGX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-048566
O=C(C1CCOC1)N1CCCn2cnc(Cn3cnnc3)c2C1	EMOLS-id_46182391	316.358	PUDTWLAUKDWTMX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-048567
O=C(C1CCOC1)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_44326497	316.358	SQEQEIHWLJDSHD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-048568
O=C(c1cnc2n1CCCCC2)N1CC(C1)(O)c1cnnn1C	EMOLS-id_319460464	316.358	NDBVYZYFFXWKFV-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-048569
O=C(c1cnc2n1CCCCC2)N1CCOC(C1)c1nc[nH]n1	EMOLS-id_318942120	316.358	DRGCOZVIZNLPHA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048570
O=C(c1n[nH]c2c1CCCCC2)N1CC(C1)(O)c1cnnn1C	EMOLS-id_319454222	316.358	RDUHHFHUGVJMRZ-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-048571
O=C(c1n[nH]c2c1CCCCC2)N1CCOC(C1)c1nc[nH]n1	EMOLS-id_318893446	316.358	OBVRKZVSSMTVKB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048572
OCc1nnn(c1)C1CN(C1)C(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_318944454	316.358	BHPQVWZDXLBTMO-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-048573
O=C(c1noc2c1CCCCC2)N1CCN(CC1)c1nc[nH]n1	EMOLS-id_319410932	316.358	TZDANZRXEABSQM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048574
O=C(c1noc2c1CCCCC2)NC1CCn2c(CC1)nnn2	EMOLS-id_102179597	316.358	YBOVCYABIJYPFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048575
O=C(c1onc(n1)C1CC1)NCCc1nnc2n1CCCCC2	EMOLS-id_319941086,MCULE-6968562176	316.358	BHYGFNLCQDASSE-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048576
O=C([C@@H]1CCCO1)N1CCCn2c(nnc2Cn2ccnc2)C1	PC-id_97519737,ZINC22_96259655	316.358	FYAXMHJWBDTBAW-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-048577
O=C([C@H]1CCCO1)N1CCCn2c(nnc2Cn2ccnc2)C1	ZINC22_96259656,PC-id_97519738	316.358	FYAXMHJWBDTBAW-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-048578
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O=C(N1CCCn2c(C1)nnc2Cn1cccn1)C1CCCO1	PC-id_118738853	316.358	FKASNTFDBNYFKQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-048588
O=C(N1CCCn2nc(cc2C1)CNc1ncc(OC)cn1)C	PC-id_70742187	316.358	BXKBRWYAQCZQCR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048589
O=C(N1CCCn2nc(cc2C1)CNc1nc(OC)ccn1)C	PC-id_70716258	316.358	AKBBTMLAHUUFQP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048590
O=C(NC1CCCc2c1cco2)NC1CCn2c(CC1)nnn2	EMOLS-id_102170084	316.358	RNSJRTWTCNMDQG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048591
FC(C1CCCC(C1)NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_53783461,MCULE-1989680524,PC-id_121520119	316.365	SSEJVMFFPXUXBF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-048592
FC([C@@H]1CCCC[C@@H]1NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_319865837,MCULE-4347256724	316.365	QHXREUSJLHKDLN-NEPJUHHUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-048593
FC(F)(F)[C@H]1CCC[C@@H](NCc2nnc3n2CCCCC3)C1	PC-id_99625172,ZINC22_129186306	316.365	SSEJVMFFPXUXBF-NWDGAFQWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-048594
FC(F)(F)[C@@H]1CCC[C@@H](NCc2nnc3n2CCCCC3)C1	PC-id_99625174,ZINC22_129186665	316.365	SSEJVMFFPXUXBF-VXGBXAGGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-048595
FC(F)(F)[C@H]1CCC[C@H](NCc2nnc3n2CCCCC3)C1	ZINC22_129186486,PC-id_99625173	316.365	SSEJVMFFPXUXBF-RYUDHWBXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-048596
FC(F)(F)[C@@H]1CCC[C@H](NCc2nnc3n2CCCCC3)C1	ZINC22_129186852,PC-id_99625175	316.365	SSEJVMFFPXUXBF-NEPJUHHUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-048597
CCOC(=O)c1n(Cc2ccc(cc2)F)nc2c1CCCCC2	PC-id_20094630,SCHEMBL9149378	316.37	UKYRXXVOSPNVKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048598
CCOC(=O)c1nn(c2c1CCCCC2)Cc1ccc(cc1)F	SCHEMBL9148901,PC-id_20094649	316.37	IFFIWCKSIBQHLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048599
COCCC1CN(Cc2cccn2C1)C(=O)c1ccccc1F	EMOLS-id_313837097	316.37	HMFAZHILWMYTOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048600
COCC[C@@H]1CN(C(=O)c2ccccc2F)Cc2cccn2C1	ZINC22_585095196	316.37	HMFAZHILWMYTOU-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048601
COCC[C@H]1CN(C(=O)c2ccccc2F)Cc2cccn2C1	ZINC22_585095199	316.37	HMFAZHILWMYTOU-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048602
O=C(Oc1ccc2c(c1)OCO2)c1cc2c(s1)CCCCC2	MCULE-5402127152,CoCoCo_3263795,PC-id_4840861,ZINC22_5958383,EMOLS-id_3391539	316.372	JSGRWMKLNQJRGX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-048603
s1c(c2CCCCC(=O)c2c1Oc1cc2OCOc2cc1)C	PC-id_59089087	316.372	MASCTBOJFCZDLP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-048604
c1(CN(C)C(=O)Nc2ccccc2F)c2CCCCCc2[nH]n1	PC-id_118773813,EMOLS-id_68897581,MCULE-3056353037,ZINC22_299778739	316.373	QCZJOTFQGZXGTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048605
c1(C(=O)NC(CC)c2ccc(cc2)F)nnc2CCCCCn12	EMOLS-id_177405985,MCULE-2625105703	316.373	RVEXLHLSGAVXKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048606
c1(C(=O)NC)cn2c(CCN(Cc3ccc(c(F)c3)C)CC2)n1	ZINC22_2100545441,EMOLS-id_337681629,MCULE-6659302338	316.373	VJVXUAGAHKRXLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048607
Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1F	ZINC22_29896750	316.373	YAQWFMQHXUNYKL-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048608
Cc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1F	ZINC22_29896753	316.373	YAQWFMQHXUNYKL-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048609
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1cccc(c1)F)C	EMOLS-id_319817097,MCULE-4685747001	316.373	WTRQPGZEFFRNAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048610
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1)F)N(C)C	EMOLS-id_320035103,MCULE-6854561203	316.373	MSIAMZJPJWKOTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048611
CC1CN(CC(=O)Nc2ccc(cc2F)C)Cc2c(C1)[nH]nc2	EMOLS-id_319161540	316.373	QWAXCWFVOWSBKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048612
CC1CN(CC(=O)NCc2ccc(cc2)F)Cc2c(C1)[nH]nc2	EMOLS-id_319044484	316.373	SROXHMCQEKTMSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048613
CC(Cc1ccccc1F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319830352	316.373	DJOVUZWIVKGKBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048614
CC[C@H](NC(=O)c1nnc2n1CCCCC2)c1ccc(F)cc1	ZINC22_584890412	316.373	RVEXLHLSGAVXKO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048615
CC[C@@H](NC(=O)c1nnc2n1CCCCC2)c1ccc(F)cc1	ZINC22_584890413	316.373	RVEXLHLSGAVXKO-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048616
C[C@@H](C(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1ncccc1F	ZINC22_663198538	316.373	RNHRERDINHHPFR-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048617
C[C@H](C(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1ncccc1F	ZINC22_663198539	316.373	RNHRERDINHHPFR-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-048618
C[C@@H](NC(=O)Cc1ccccc1F)c1nnc2n1CCCCC2	ZINC22_29901641	316.373	XUJVHTINJYMBKA-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048619
C[C@H](NC(=O)Cc1ccccc1F)c1nnc2n1CCCCC2	ZINC22_29901643	316.373	XUJVHTINJYMBKA-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048620
C[C@@H](NC(=O)Cc1cccc(F)c1)c1nnc2n1CCCCC2	ZINC22_29900392	316.373	RYEQTTCRYGCLIQ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048621
C[C@H](NC(=O)Cc1cccc(F)c1)c1nnc2n1CCCCC2	ZINC22_29900395	316.373	RYEQTTCRYGCLIQ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048622
CN(C1CCc2nnc(C)n2CC1)C(=O)Cc1ccccc1F	MCULE-8004550128,EMOLS-id_50590419,PC-id_91910783	316.373	QQZCEYLSWPAKQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048623
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Fc1ccc(CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51304489,EMOLS-id_318434083	316.373	VCXKYQSEMIURBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048634
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CN(Cc1nnc2n1CCOCC2)c1nccc(C(C)(C)C)n1	ZINC22_1615554126,EMOLS-id_320326602,MCULE-1166403146	316.401	WNCUEPPCICVSAK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048814
CN=C(NCc1ccoc1)NCCc1nnc2n1CCCCC2	PC-id_119151159	316.401	ITRCPCQKVKVUTD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-048815
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccco1	PC-id_111353880	316.401	ZWLBEZGXYKZMFA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-048816
n12CCCNCc1cc(CCC(=O)NCCCn1ccnc1)n2	PC-id_70762167,MCULE-2884867358,EMOLS-id_43149596,ZINC22_72459045	316.401	GNEJFHJAMHNFTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048817
O=C(Cn1ccnc1C(C)C)NCc1nnc2n1CCCCC2	EMOLS-id_319105795	316.401	HHVXBKFYDCBPSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048818
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Cc1nncn1C(C)C	EMOLS-id_318824122	316.401	RZFRABCTJOPBCT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048819
O=C(N1CCCc2c(C1)cnn2C)Nc1ccnn1C(C)(C)C	EMOLS-id_101863295	316.401	GJSFSXODZPZOFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048820
O=C(N1CCCc2c(C1)cnn2C)Nc1nn(c(c1)C)C(C)C	EMOLS-id_102004233	316.401	VMWIKTXBCISYNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048821
O=C(Nc1c(C)nn(c1C)C)CN1CC(C)Cc2c(C1)cn[nH]2	MCULE-7809353755,EMOLS-id_320304666	316.401	VAGORACLEZBPHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048822
O=C(NC(c1n2CCCCCc2nn1)C)Cn1nc(cc1C)C	EMOLS-id_36268734,MCULE-2654101190,PC-id_53521155	316.401	LDVXIKZPYWMIDK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048823
O=C(NCc1n(CC(C)C)cnc1)c1nn2CCCNCc2c1	PC-id_50982833	316.401	OULAVAKLWPEMTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048824
COC(=O)c1sc(c2c1OC[Si](CO2)(C)C)C(=O)OC	SCHEMBL4244693,PC-id_68972577	316.402	PAQONQLXYATQJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048825
CC1(Nc2nc(nn2C(=S)N(N1)C)SC)CC(=O)OC	PC-id_135401012	316.403	BCJIWLFRWDPHFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048826
Cc1nc(N2CCN(Cc3nnc4n3CCCCC4)CC2)n[nH]1	ZINC22_931630801,PC-id_146139401	316.405	WTODKSYJMSGKSW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-048827
CN=C(NCc1ccnn1C)NCc1nnc2n1CCCCC2	PC-id_111953925	316.405	FTTRMRSRLUBLDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048828
CC(c1cc(C)c(c(c1)C)F)NCc1nnc2n1CCCCC2	EMOLS-id_318047258,MCULE-7765260441	316.416	JWVFKRMRSBDGLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048829
CCC(c1nnc2n1CCCCC2)NC(c1ccc(cc1)F)C	EMOLS-id_318085929	316.416	UCQAGORBOBFVIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048830
c1(c2CCCCCc2sc1N)C(=O)Nc1ccc(cc1)OC	EMOLS-id_3785194,CoCoCo_6779789,ZINC22_2573415,TIMTEC110764,MCULE-6903776231,PC-id_2063827	316.418	CVFBZVNJMLHCFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048831
c1(c2CCCCCc2sc1N)C(=O)Nc1ccccc1OC	EMOLS-id_3785198,TIMTEC36317,PC-id_867805,ZINC22_432506,CoCoCo_6779798,GD-id_ZINC00432506,TIMTEC309182,MCULE-2070199922	316.418	MIPUPSJJIYTWGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048832
c1(c2CCCCCc2sc1N)C(=O)Nc1cccc(OC)c1	ZINC22_2558509,EMOLS-id_3785196,TIMTEC198532,PC-id_17376768,MCULE-7734401738,GD-id_ZINC02558509,CoCoCo_6812475	316.418	HPNIFAPXQWNIIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048833
c1(cccc(C)c1OC)C(=O)Nc1sc2c(CCCCC2)n1	TIMTEC84478,ZINC22_30952682,PC-id_38112256,EMOLS-id_30084339,MCULE-5982682609	316.418	BRSLFCMVHKAZRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048834
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCCCC2)n1	EMOLS-id_323412584,MCULE-2287355441	316.418	BFCNJZWZDAKEGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048835
c1(NC(=O)Cc2ccccc2OC)sc2c(CCCCC2)n1	MCULE-1142579441,EMOLS-id_323386334,PC-id_46699285	316.418	STDKDHICDCVKQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048836
c1(NC(=O)CCOc2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_334603389,PC-id_112807860,MCULE-1853479447	316.418	VDQROSXSBZEXQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048837
Cc1cccc(c1)OCC(=O)N1CCCCc2c1sc(n2)C	MCULE-4388252437,EMOLS-id_320040848	316.418	KTCFBAJOBGXIIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048838
Cc1cccc(n1)CONC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_319785236	316.418	PDROHTDVMIGELE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048839
Cc1cc(CNC(=O)c2cc3c(s2)CCCCC3)cc(=O)[nH]1	MCULE-3934577444,EMOLS-id_320198625	316.418	DJZFKXMZDDKWSQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048840
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc2c(o1)CCCC2	EMOLS-id_319619959	316.418	ZJINRXUJEOSNEF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048841
CCCc1cc(cc(=O)[nH]1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318563180	316.418	URWWZJGZVRFCJT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048842
CCOc1cccc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319428081	316.418	UBWFZBJCZGZFKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048843
CCOc1ccccc1C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_16727356,ZINC22_12828488,CoCoCo_4546064,PC-id_17517554,MCULE-3820233212	316.418	GSYPRFFVZQUMPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048844
CCOc1ccc(cc1)C(=O)Nc1nc2CCCCCc2s1	MCULE-1206276538,EMOLS-id_16746342,PC-id_17524382,CoCoCo_4546063,ZINC22_12757571	316.418	ZJQWFVUAZNVHMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048845
CC(Oc1ncccc1C(=O)N1CCCc2c(C1)ccs2)C	EMOLS-id_318113234	316.418	TZNDRHWPMPQMBL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048846
CCOc1ncccc1NC(=O)c1cc2c(s1)CCCCC2	PC-id_34879712,MCULE-7356419351,EMOLS-id_35705048,ZINC22_27515202	316.418	MYDFHNUTSILNEA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048847
CN1CCC(c2c(C1)sc(c2)C)Oc1ccc(cc1)C(=O)N	SCHEMBL2844034,PC-id_68413159	316.418	NJEWKRGXKSBCGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048848
COc1ccc(cc1/C=C/c1nc2c(s1)NCCCC2)OC	SCHEMBL8316999,PC-id_15069498	316.418	GXIXVTMKTLROOI-RMKNXTFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048849
COc1ccccc1C(C(=O)N1CCCc2c(C1)ccs2)N	EMOLS-id_318366943	316.418	ICSDZHQBOYQQKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048850
COc1ccc(cc1)C(C(=O)N1CCCc2c(C1)ccs2)N	EMOLS-id_318686550	316.418	RMQNCIGMIVFKRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048851
COc1cccc(c1)C(C(=O)N1CCCc2c(C1)ccs2)N	MCULE-2919304186,EMOLS-id_316409484	316.418	SKWXHSZPNNXZIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048852
COc1ccccc1CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318894593	316.418	ACCAITULQPKKSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048853
COc1cc(ccc1C)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319967526,MCULE-4853038606	316.418	ASYHAFZUIXVHJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048854
COc1ccc(c(c1)C)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320056972,MCULE-6182072768	316.418	AJPLMLLHZVILGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048855
COc1ccc(cc1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320070339,MCULE-9291473966	316.418	RFWJMEIOOWMZON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048856
COc1ccccc1NCC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318261208,MCULE-6767911049	316.418	MNZBWNUYNGHTEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048857
COc1cccc(c1)NCC(=O)N1CCCc2c(C1)ccs2	MCULE-1623904108,EMOLS-id_318283864	316.418	AVIFZROTIFTCDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048858
COc1ccccc1NCC(=O)N1CCCCc2c1ccs2	EMOLS-id_318187829,MCULE-5182762920	316.418	FLZNQHOQURRGQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048859
COc1ccc(c(c1)NC(=O)c1cc2c(s1)CCCCC2)N	PC-id_119420919	316.418	HDTKKLVVMYPQQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048860
COc1ccc(cc1N)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_301246576,MCULE-4667142952,PC-id_119419349	316.418	JUVVPWKUXJTZIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-048861
COc1c(cccc1OC)C=Cc1nc2c(s1)NCCCC2	SCHEMBL8311200,PC-id_54186183	316.418	PFGSHLUUDKSOKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048862
COc1ccc(cc1OC)/C=C/c1sc2c(n1)CCCCN2	PC-id_15069495,SCHEMBL9694216	316.418	LSIGPHSWTMJQMJ-VQHVLOKHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048863
COc1cc(/C=C/c2nc3c(s2)NCCCC3)cc(c1)OC	PC-id_15069497,SCHEMBL8315262	316.418	UCCUMCNCDNEWTO-VOTSOKGWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048864
COc1cc(C)ccc1C(=O)N1CCCCc2c1sc(n2)C	MCULE-9926148903,EMOLS-id_320322064	316.418	ABPKWVBVIJIDOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048865
COc1ccc(CNC(=O)c2cc3c(s2)CCCCC3)cn1	MCULE-5074142189,ZINC22_12558026,PC-id_17481636,CoCoCo_4469153,EMOLS-id_13576650	316.418	NNQPPERODOEPIU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048866
COc1ccc(N(C)C(=O)c2cc3c(s2)CCCCC3)cn1	PC-id_53539541,ZINC22_65475253,EMOLS-id_35739893,MCULE-8703287076	316.418	VPVIAGHSLKAZCV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048867
COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1C	MCULE-3332473118,ZINC22_12821979,PC-id_24230448,EMOLS-id_17154371,CoCoCo_4546238	316.418	ZTWPQOKNVFHVNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048868
COc1ncccc1CNC(=O)c1cc2c(s1)CCCCC2	ZINC22_30305960,PC-id_37485587,EMOLS-id_30667185,MCULE-8646574378	316.418	HXEPSJWXVVQUKR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048869
COCc1ccc(cc1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-1814102290,EMOLS-id_320016043	316.418	ZVLPCXAWUPSGFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048870
COCc1cccc(c1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-5186755609,EMOLS-id_319936803	316.418	GBRBSMACYPECME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048871
COC(C(=O)N1CCCCc2c1sc(n2)C)c1ccccc1	EMOLS-id_319181209	316.418	VMQFYARZRYQHKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048872
N#Cc1c(NC(=O)C2=CCOCC2)sc2c1CCCCCC2	EMOLS-id_111010374	316.418	NOEHSHZZCVSETJ-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-048873
N#CC(C(=O)c1sc2c(c1)CCCCCC2)C(=O)NC1CC1	MCULE-2464651733,EMOLS-id_44497710,PC-id_71940188	316.418	AOGOKSRSVQDROP-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-048874
N#C[C@@H](C(=O)NC1CC1)C(=O)c1cc2c(s1)CCCCCC2	PC-id_98305941,ZINC22_102389329	316.418	AOGOKSRSVQDROP-CYBMUJFWSA-N	00100000100000000100000000000010000000000000000000000000	31-01-048875
N#C[C@H](C(=O)NC1CC1)C(=O)c1cc2c(s1)CCCCCC2	ZINC22_102389332,PC-id_98305942	316.418	AOGOKSRSVQDROP-ZDUSSCGKSA-N	00100000100000000100000000000010000000000000000000000000	31-01-048876
Oc1cccc(c1)CCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318819209	316.418	VUSJMJWBGZKZPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048877
Oc1ccc(c(c1)C)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319739581	316.418	APORNVMJQCPHNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048878
Oc1ccc(cc1)CCC(=O)N1CCCCc2c1sc(n2)C	MCULE-6388547475,EMOLS-id_320303226	316.418	TVGAGRBIDZATTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048879
Oc1cccc(c1)C(C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_318863236	316.418	XRQZBFVDLBWOCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048880
O=c1cc[nH]c(c1)CNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_319070850	316.418	VCWVELHXKIOODP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048881
O=C(c1cc2c(s1)CCCCC2)Nc1c(C)noc1C1CC1	EMOLS-id_99402183	316.418	JVAVOCVVQOJOFE-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048882
OCc1ccncc1NC(=O)c1sc2c(c1)CCCCCC2	PC-id_109909578	316.418	BURSUOCXYARJDA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048883
OCC(c1ccccn1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_319590838	316.418	GPGQODRJKVHIAL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048884
O=C(CCc1ccccc1O)Nc1nc2c(s1)CCCCC2	PC-id_30255003,MCULE-9217867714,ZINC22_22375470,EMOLS-id_30684608	316.418	MNIPPDAZJQWDIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048885
O=C(N1CCCCc2c1sc(n2)C)[C@H](Cc1ccccc1)O	EMOLS-id_319755953	316.418	FSUMLDALYKWBST-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048886
O=C(N1CCCCc2c1sc(n2)C)C(Oc1ccccc1)C	EMOLS-id_319858238	316.418	NKAQAJVVYRCIGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048887
O=C(N1CCCCc2c1sc(n2)C)COCc1ccccc1	MCULE-2295260058,EMOLS-id_320328768	316.418	LXGKKULQAWFTIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048888
O=C(N1CCC[C@H]1c1nocc1)c1cc2c(s1)CCCCC2	EMOLS-id_319108671	316.418	OPIAMQHBJCUEPW-AWEZNQCLSA-N	00000010100000000101100000000010000000000000000000000000	31-01-048889
s1c2CCCCCc2nc1NC(=O)Cc1cc(OC)ccc1	PC-id_46696570	316.418	HCGJLOQHNZPBCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048890
s1c2CCCCCCc2cc1C(=O)Nc1c(OC)nccc1	PC-id_52622745	316.418	DHJIVIZTENQVLD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-048891
s1c2CCCCCCc2nc1NC(=O)c1cc(OC)ccc1	PC-id_56022239	316.418	FYSIYMUWHJPIPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048892
s1c2CCCCCCc2nc1NC(=O)c1c(OC)cccc1	PC-id_56021972	316.418	JSOAJTALNKRHKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048893
s1c2NCCCCc2nc1C=Cc1cc(OC)cc(OC)c1	PC-id_54345615	316.418	UCCUMCNCDNEWTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048894
s1c2NCCCCc2nc1C=Cc1cc(OC)c(OC)cc1	PC-id_54050174	316.418	LSIGPHSWTMJQMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048895
s1c2NCCCCc2nc1C=Cc1c(OC)ccc(OC)c1	PC-id_53862356	316.418	GXIXVTMKTLROOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048896
s1c2NCCCCc2nc1/C=C/c1c(OC)cc(OC)cc1	PC-id_15069502	316.418	HRDQLJMMCABDLC-VQHVLOKHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048897
s1c2NCCCCc2nc1C=Cc1c(OC)cc(OC)cc1	PC-id_53892040	316.418	HRDQLJMMCABDLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048898
s1c2NCCCCc2nc1/C=C/c1c(OC)c(OC)ccc1	PC-id_10543452	316.418	PFGSHLUUDKSOKG-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048899
CCS(=O)(=O)N1CCCn2nc(cc2C1)C(O)CN(C)C	PC-id_91769256,EMOLS-id_55628990,MCULE-5222012535	316.42	BIXLQRWZVPOTAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048900
CCS(=O)(=O)N1CCCn2nc([C@@H](O)CN(C)C)cc2C1	ZINC22_219283080,PC-id_100036806	316.42	BIXLQRWZVPOTAO-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048901
CCS(=O)(=O)N1CCCn2nc([C@H](O)CN(C)C)cc2C1	ZINC22_219283115,PC-id_100036808	316.42	BIXLQRWZVPOTAO-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048902
CN(C)CCOCc1ncn2c1CN(S(=O)(=O)C)CCC2	EMOLS-id_46183131,ZINC22_96085055,PC-id_97405873	316.42	LTSGRISSRATLPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048903
CN(C)S(=O)(=O)CCCN1CCCn2nc(CO)cc2C1	EMOLS-id_55635056,PC-id_91771400,MCULE-4797241570	316.42	RSWDUVMFYAYWSK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048904
COC(CS(=O)(=O)N1CCCn2c(C1)cnn2)CC(C)C	MCULE-7568273413,EMOLS-id_320104845	316.42	RUMKPYZEVCUVBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048905
c1(cc2n(CCCN(C)C2)n1)C(=O)N1CCC1c1cccs1	PC-id_50984804,MCULE-7286559295,EMOLS-id_32437274	316.421	BXTOUAAUXGTPHG-UHFFFAOYSA-N	00001000100100000101100000000010000000000000000000000000	31-01-048906
c1(C(=O)Nc2sc3c(CCCC3)n2)c2CCCCCc2[nH]n1	EMOLS-id_323251135,MCULE-1045372190	316.421	UPFDIUQKKRUJDX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048907
c1(C(=O)Nc2sc3c(CCCCC3)n2)c2CCCCc2[nH]n1	EMOLS-id_323244214,MCULE-1642785603	316.421	GWURSCXXOJAUQP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048908
Cc1ccccc1NC(=O)CSc1nnc2CCCCCn12	ZINC22_6098132,CoCoCo_5792260,EMOLS-id_15730018,MCULE-1632755883,PC-id_7877387	316.421	OSDAFVDDYOTUJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048909
Cc1cc(C)nc(n1)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_44028532,MCULE-4467275041,PC-id_41929057	316.421	YRVKMUANJRTJLT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048910
Cc1ccc(NC(=O)CSc2nc3CCCCCn3n2)cc1	PC-id_16458554,CoCoCo_6600685,EMOLS-id_32193178,MCULE-4917471397,CoCoCo_6600686,ZINC22_28527225	316.421	AKVKIRUQNDBAIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048911
Cc1ccc(NC(=O)CSc2nnc3CCCCCn23)cc1	EMOLS-id_5472072,PC-id_4461675,MCULE-1916992005,ZINC22_93159,CHEMBL1868137,CoCoCo_5791837,ChEMBL-DNDi_CHEMBL1868137	316.421	BZEDJSGOTQTGSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048912
CC1CNc2n(C1)ncc2C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319629858	316.421	ICDSXPTWSLYHHZ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048913
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1sc(nc1C)C1CC1	EMOLS-id_319358162	316.421	HFHPJNRAAIROHD-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048914
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1csc(n1)C1CC1	EMOLS-id_319357105	316.421	CGRMTKWWZRNVFV-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048915
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1scc(n1)C1CC1	EMOLS-id_319391228	316.421	XKNAEGOIVCRTPK-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048916
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cn1)N(C)C	EMOLS-id_319309645	316.421	DXYNIVXPTJHCMJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048917
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccnc(c1)N(C)C	EMOLS-id_318910153	316.421	ITCIUTKMTHKKRV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048918
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc(nn1C)C1CC1	EMOLS-id_319049787	316.421	NFFMENICOGJGKA-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048919
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc2n1CCCC2	EMOLS-id_318980752	316.421	KEJNWJNFLJHANW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048920
Cc1ncc(c(n1)C)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110847520	316.421	MPEOOMSUQSGPBS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048921
Cc1nc(C)nc(c1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111068047	316.421	LTEHDQUNWHSOCC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048922
Cc1sc2c(n1)CCCCN2C(=O)c1cc2n(n1)CCCC2	EMOLS-id_319394699	316.421	DLIRJOYLPKAGAK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048923
Cc1sc2c(n1)CCCCN2C(=O)c1nc2n(c1)CCCC2	EMOLS-id_319083273	316.421	IGHSCIYBDFMNAH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048924
CC(C)N1CCc2nc(C(=O)N=c3cc[nH]cc3)sc2CC1	ZINC22_2055785124,EMOLS-id_313792059	316.421	IXROPXXIHUJJKX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048925
CC(C(=O)Nc1ccccc1)Sc1nnc2n1CCCCC2	EMOLS-id_3693765,MCULE-2346363409,PC-id_16349159	316.421	DXVRVJOLTJCKKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048926
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccccc1	PC-id_7877085,ZINC22_6097722,CoCoCo_3081826	316.421	DXVRVJOLTJCKKS-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048927
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccccc1	PC-id_7877087,CoCoCo_3081827,ZINC22_6097725	316.421	DXVRVJOLTJCKKS-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048928
CCn1c2-c([nH]cc[nH]c2Sc2ccc(cc2)OC)c([nH]1)C	PC-id_90690277	316.421	ODIJHZRXGMXRSZ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-048929
CC(Nc1nnccc1C(=O)N1CCCc2c(C1)ccs2)C	EMOLS-id_319253805	316.421	DVRSNSKVSCVZMZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048930
CN1CCCn2c(c(nc2CCc2cscc2)C(=O)N=C)C1	SCHEMBL15247999,PC-id_89797071	316.421	OQZYMCUOHNUEAO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-048931
CN1CCCn2nc(C(=O)N3CC[C@@H]3c3cccs3)cc2C1	ZINC22_65532586	316.421	BXTOUAAUXGTPHG-CQSZACIVSA-N	00001000100100000101100000000010000000000000000000000000	31-01-048932
CN1CCCn2nc(C(=O)N3CC[C@H]3c3cccs3)cc2C1	ZINC22_65532591	316.421	BXTOUAAUXGTPHG-AWEZNQCLSA-N	00001000100100000101100000000010000000000000000000000000	31-01-048933
Cn1ncc(c1)[C@@H]1C[C@H]1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_101378044	316.421	DQPJMMSPZXYOBM-NWDGAFQWSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048934
COc1cccnc1/C=C/CN1CCc2c(CC1)nc(s2)N	PC-id_19985986,SCHEMBL7291870	316.421	SJJLNKRZWOXWJU-ONEGZZNKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048935
COc1ncccc1/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7292440,PC-id_19985737	316.421	YKGNMXLNKIFEAI-HWKANZROSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048936
CSc1ccccc1C(=O)NCc1cc2CNCCCn2n1	EMOLS-id_44427189,ZINC22_82096302,MCULE-5835730915,PC-id_70715280	316.421	WTISNIYJYUJEFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048937
CSc1cccc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101956607	316.421	JPNJONVZDLZOKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048938
CSc1ccccc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101959219	316.421	VPWXFVSQUWLAGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048939
CSc1ccc(cc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101968575	316.421	QNXNUBQMEREWQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048940
Nc1ccc(cn1)C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_318934330	316.421	STHHPYDHDABQNZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048941
Nc1cccc(n1)C(=O)NCCc1nc2c(s1)CCCCC2	MCULE-8597459149,EMOLS-id_320020523	316.421	QJNCHZYYOTYZHR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048942
Nc1ccc(nc1)C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_320195227,MCULE-5888716560	316.421	PITBZTVQGWEGOP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048943
O=C(c1cc2c(s1)CCCCC2)NC1(CCC1)c1nnc[nH]1	EMOLS-id_100021916	316.421	NDWCTNAOJSAHQY-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-048944
O=C(c1cc2c(s1)CCCCC2)Nc1nn2c(n1)CCCC2	EMOLS-id_101500782	316.421	CKZRPPZAIHLQSU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048945
O=C(c1cc2c(s1)CCCCC2)Nc1nnc(n1C1CC1)C	EMOLS-id_98686430	316.421	LRUJPFDRPVDWPD-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048946
O=C(c1cc2c(s1)CCCCC2)Nc1n[nH]c2c1CNCC2	EMOLS-id_319154859	316.421	LITLVHPDPACAGN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048947
O=C(C1(CCC1)Cc1cnn[nH]1)N1CCCc2c(C1)ccs2	EMOLS-id_319299559	316.421	QDUVDLCCMXLHHA-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-048948
O=C(C1CCn2c(CC1)nnc2)NC(c1cccs1)C1CC1	EMOLS-id_316534910	316.421	POMLZFSPMJWNFU-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-048949
O=C(c1cn2c(n1)CCCC2)Nc1nc2c(s1)CCCCC2	EMOLS-id_100988632	316.421	AVXAHYWJMMXRQR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048950
O=C(c1cnc2n1CCCCC2)NCc1sc2c(n1)CCC2	EMOLS-id_318494083	316.421	KVTDQLNDMSEGSG-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-048951
O=C(c1cnc2n1CCCCC2)N[C@H]1CCc2c(C1)scn2	EMOLS-id_258108372,MCULE-4796850392	316.421	FQHFCNNRJKTPBL-NSHDSACASA-N	00000000100010000101000000010010000000000000000000000000	31-01-048952
O=C(c1cnn(c1)CC1CC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_319326696	316.421	QWONWNJTDXHKSY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-048953
O=C(c1csc2c1CCCC2)N1CCn2c(CC1)nnc2C	CoCoCo_1533149	316.421	LSRNQKALDWFWHX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048954
O=C(c1nn2c(c1)CCCC2)Nc1nc2c(s1)CCCCC2	EMOLS-id_101224711	316.421	MXGJIXOVZVMQBC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048955
O=C(c1n[nH]c2c1CCCCC2)N[C@H]1CCc2c(C1)scn2	EMOLS-id_316602730	316.421	DETZBZPDELINNJ-JTQLQIEISA-N	00000000100010000101000000010010000000000000000000000000	31-01-048956
O=C(c1sc2c(c1)CCCCCC2)Nc1nncn1C1CC1	EMOLS-id_98646774	316.421	HIGOZXHIJPCPRY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048957
O=C(c1scc2c1CCCC2)N1CCn2c(CC1)nnc2C	CoCoCo_1269530,ChEMBL-DNDi_CHEMBL27580210	316.421	HKCUXIJEEZNETG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048958
O=C([C@H](Cc1ccncc1)N)Nc1nc2c(s1)CCCCC2	EMOLS-id_319694970	316.421	OLPTZUAFIYTZDI-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048959
O=C(CSc1nnc2n1CCCCC2)NCc1ccccc1	PC-id_7877430,ZINC22_6098200,EMOLS-id_3661958,CoCoCo_3082132,MCULE-9252209911	316.421	DXABCZLVSBLWDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048960
O=C(N1CC(C1)c1nc[nH]n1)c1sc2c(c1)CCCCCC2	EMOLS-id_319471205	316.421	LCDZBJHBMZPNQS-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-048961
O=C(N1CCCC1c1cccs1)C1CCn2c(CC1)nnc2	EMOLS-id_319926075,MCULE-4837396039	316.421	CAUUTBLXOKAHJT-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-048962
O=C(N1CCC(C1)c1nnc[nH]1)c1cc2c(s1)CCCCC2	EMOLS-id_102246918	316.421	XOSDSXVEVXEPBV-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-048963
O=C(N1CCCc2c(C1)ccs2)NCCc1cnc(cn1)C	EMOLS-id_318314060	316.421	PLVHKYXLFZBOBG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048964
O=C(N1CCCc2c(C1)ccs2)NCCc1nccnc1C	EMOLS-id_318226873	316.421	SWVYGBIDFSWFDH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048965
O=C(N1CCCCc2c1sc(n2)C)C1CCc2n(C1)ccn2	EMOLS-id_320251637,MCULE-7086987837	316.421	RIZHFDVNTISSIW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048966
O=C(N1CCCCc2c1sc(n2)C)C1CCc2n(C1)cnc2	EMOLS-id_319735585	316.421	LZJKCHLQERYVCC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048967
O=C(N1CCCCc2c1sc(n2)C)[C@@H]1C[C@H]1c1cncn1C	EMOLS-id_319965919,MCULE-3157150379	316.421	RWZMBIFEQMCNIA-VXGBXAGGSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048968
O=C(N1CCCCc2c1sc(n2)C)Cn1ncc(c1)C1CC1	EMOLS-id_319329569	316.421	XFNYVWGBRVCUKR-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-048969
O=C(N1CCn2c(C1C)nnc2)c1cc2c(s1)CCCCC2	EMOLS-id_100382830	316.421	AEXVWZZMDPQTSR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048970
O=C(N1CCn2c(C1)ncn2)c1sc2c(c1)CCCCCC2	EMOLS-id_100135771	316.421	LXAAVLQEEHKLSL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-048971
O=C(Nc1ccccc1C)CSc1nc2n(n1)CCCCC2	PC-id_853745,CHEMBL1529520,SPECS-id_AT-225/JK09946	316.421	XGVPBSYBOYZKNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048972
O=C(Nc1sc2c(n1)CCCCCC2)CCc1nccnc1	EMOLS-id_100198044	316.421	BOWAACLVQQPDQZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048973
O=C(NCc1nnc2n1CCC2)c1cc2c(s1)CCCCC2	ZINC22_32873620,PC-id_40108040,CoCoCo_4474372,MCULE-8401817885,EMOLS-id_24474087	316.421	YWEALLIUIGQLIH-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-048974
O=C(NCc1nnc2n1CCCCC2)c1cc2c(s1)CCC2	EMOLS-id_35691718,PC-id_53503338,MCULE-4700884046,ZINC22_65417732	316.421	UORKKOUJQAJTLO-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-048975
O=C(NCc1nnc2n1CCCCC2)c1sccc1C1CC1	PC-id_71884188,EMOLS-id_45756349,MCULE-8844365348,ZINC22_67143247	316.421	UZRHOOCIUBWEHS-UHFFFAOYSA-N	00100000100100000101100000000010000000000000000000000000	31-01-048976
O=C(NCCC[n+]1c([nH]cc1)C)c1n[nH]c2CCCCCCc12	PC-id_51587676	316.421	UCUWMDIVNSQSST-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-048977
O=C(NCCNc1cnccn1)c1cc2c(s1)CCCCC2	ZINC22_46018526,MCULE-6230277018,EMOLS-id_31897696,PC-id_51113719	316.421	GXNLWDABCSQXEQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048978
O=C(NCCNc1ncccn1)c1cc2c(s1)CCCCC2	MCULE-3821869362,ZINC22_48010567,PC-id_51114381,EMOLS-id_31915672	316.421	HXJRMDMYNPBTDS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-048979
s1c2CCN(CCc2nc1N)CC=Cc1c(OC)nccc1	PC-id_54512707	316.421	YKGNMXLNKIFEAI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048980
s1c2CCN(CCc2nc1N)CC=Cc1ncccc1OC	PC-id_54308739	316.421	SJJLNKRZWOXWJU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-048981
s1c(/C=C/C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_51307457	316.421	ULABIMLLSIZBLX-BQYQJAHWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-048982
s1c(C=CC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_75625037	316.421	ULABIMLLSIZBLX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-048983
S(c1n2CCCCCc2nn1)CC(=O)N(c1ccccc1)C	PC-id_7877357	316.421	VIUAXAXSDCPOTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048984
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc(ccc1)C	PC-id_7877376	316.421	FIJBCDFKTKIJAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-048985
c1(C(C(C)C)NS(=O)(=O)N(C)C)nnc2CCNCCn12	EMOLS-id_36427132,PC-id_56703914,MCULE-1248696960	316.423	LTBFZUURTRQBED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048986
CC(C)[C@H](NS(=O)(=O)N(C)C)c1nnc2n1CCNCC2	PC-id_95195010,ZINC22_67603790	316.423	LTBFZUURTRQBED-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-048987
CC(C)[C@@H](NS(=O)(=O)N(C)C)c1nnc2n1CCNCC2	ZINC22_67603794,PC-id_95195011	316.423	LTBFZUURTRQBED-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-048988
CC[C@@H]1OC(=O)[C@H](C)Cc2coc(c2)CC(CC(=C)/C=C/1C)C	PC-id_142155521	316.435	OWZLZSQOANEEOH-GBGFXENXSA-N	00000000100000000110000000000010000000000000000000000000	31-01-048989
CC(c1ccc(c2-c(c1)c(C)cc2)Cc1cccc(c1)C(=O)C)C	PC-id_102111803	316.436	OMALWZHOKRASBM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-048990
O(c1ccc(/C=C/c2c3-c(cc(C(C)C)cc2)c(cc3)C)cc1)C	PC-id_10936001	316.436	ZVEBPZYOWXIRSV-RMKNXTFCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-048991
O(c1ccc(C=Cc2c3-c(cc(C(C)C)cc2)c(cc3)C)cc1)C	PC-id_85322048	316.436	ZVEBPZYOWXIRSV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-048992
CC1(OC[C@H](O1)Cn1c2=CCC=C(C=c2cc1C(C)(C)C)N)C	SCHEMBL20195050,PC-id_134547550	316.438	QRRSCBCZGCMUEN-OAHLLOKOSA-N	00000010100000000111000000000010000000000000000000000000	31-01-048993
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CC1CN2C(C1)CCC(C2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319162883	316.441	DEFVMMRRSMWQDG-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-049016
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CC1CN(CC(=O)N(C2CC2)C2CCCC2)Cc2c(C1)[nH]nc2	EMOLS-id_319402949	316.441	DSBDOEOJPKJMLZ-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-049018
CC1CN(CC(=O)NCCC2=CCCCC2)Cc2c(C1)[nH]nc2	EMOLS-id_319569534	316.441	PXRKHLJKWAFLGY-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-049019
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CCN(CC)C[C@@H]1CN(Cc2ccc(C)o2)Cc2nccn2C1	ZINC22_96059196,PC-id_97381849	316.441	KXZUNYHAEXISHU-MRXNPFEDSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049030
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CCO[Si](/C=C/c1ccc2-c1ccccc2)(OCC)OCC	PC-id_102129075	316.467	LZPRXDFLROGQPZ-CCEZHUSRSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049081
[Si](Oc1ccc(cc1)C#Cc1ccc2-c(ccc2)cc1)(C)(C)C	PC-id_86099737	316.468	CESIORFDCXEMIZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-049082
c1(c2-c(cc(C(C)C)ccc2)cc1)Cc1ccc(CCCC)cc1	PC-id_19996691	316.479	GYECYCYSBURLCE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-049083
CCS(=O)(=O)CCCC(c1cc2c(s1)CCCCC2)O	PC-id_115803761	316.479	YFLOLJICHJPCAI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049084
s1c2c(CCCCC2)cc1C(=O)C1CCCc2sccc12	PC-id_81676441	316.481	SWNKSSFPDHUCJQ-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-049085
NNC(c1cc2c(s1)CCCCC2)CCCS(=O)(=O)C	PC-id_105290796	316.483	HQQRIYKMZUDHEW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049086
CC/C=CC(=C(c1sc2c(c1C(=O)C)CCCCC2)/C)CC	SCHEMBL19140291	316.501	BSCCQZCBTVXWDY-VCJMRONBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049087
CCCCCC(C1=c2scc(c2=C(CC=C1)C)C)CCCC	PC-id_143996288	316.544	UCBILXDNIGQPNR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-049088
ClC(C(F)(F)F)n1nc(c2c1C=CCC=C2)C(F)(F)F	PC-id_101927542	316.63	PAIIGAYHIIUYIY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-049089
ClC(C(F)(F)F)n1nc(c2c1CC=CC=C2)C(F)(F)F	PC-id_101927543	316.63	LTNMXONNCZBNKG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-049090
CCC(=O)O[C@H](C(F)(F)F)c1cc(c2-c1ccccc2)Cl	PC-id_101151971	316.703	XBLDIOZYZYHFGE-AWEZNQCLSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049091
CCOC(=O)[C@@H](C(F)(F)F)c1cc(c2-c1ccccc2)Cl	PC-id_101362050	316.703	SVFYUPXJHBZHJW-ZDUSSCGKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049092
CCOC(=O)[C@@H](C(F)(F)F)c1c(Cl)cc2-c1ccccc2	PC-id_101362054	316.703	QNUBEGMNPVAIRR-ZDUSSCGKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049093
O=C(c1ccc(Cl)c2occc12)N1CCCn2nncc2C1	MCULE-4303285618,ZINC22_829601776,PC-id_136565785,EMOLS-id_316969652	316.742	REBSXOGUHHVTRR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-049094
Clc1ccc2c(c1C(=O)N1CCCn3c(C1)cnn3)[nH]nc2	EMOLS-id_318889545	316.746	LJQZJSACRKJENM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-049095
N#Cc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_102176540	316.746	HGABAHQDPWGXCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049096
Clc1c(C=C(c2n3CCCCCc3nn2)C#N)c(F)ccc1	PC-id_78650308	316.761	RFYGUDIWZFQWOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049097
Clc1c(/C=C(/c2n3CCCCCc3nn2)C#N)c(F)ccc1	PC-id_8275284	316.761	RFYGUDIWZFQWOV-PKNBQFBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049098
C1CCC(=Cc2cc(ccc2)Cl)c2n[nH]c(c2CC1)C(=O)O	PC-id_91189375	316.782	DQGAHJODPQPXGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049099
Clc1cc(C=C2CCCCCc3[nH]nc(c23)C(=O)O)ccc1	SCHEMBL3542701,PC-id_68683316	316.782	MXXDJIFQVKLCKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049100
Clc1cc(NCc2nnc3CCCCCn23)nc2[nH]ccc12	PC-id_70708461,EMOLS-id_43061788,ZINC22_72411183,MCULE-9127914942	316.789	OFJVZRXIFVNNLM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-049101
ClCCn1ncc(/C=C(c2n3CCCCCc3nn2)/C#N)c1	PC-id_52469832	316.789	ROFWGJHFFAFCSN-JYRVWZFOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049102
ClCCn1ncc(C=C(c2n3CCCCCc3nn2)C#N)c1	PC-id_75855031	316.789	ROFWGJHFFAFCSN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049103
N#Cc1cc(Cl)c(nc1C)NCc1nnc2n1CCCCC2	MCULE-2908293533,EMOLS-id_318592230	316.789	HJBHQJMRELCCIH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049104
N#Cc1c(ncc(c1C)Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318530262,MCULE-4789903340	316.789	PXRIUAXKRPFYCQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049105
Clc1ccc(cc1)Cn1c(nc2c1C(=O)CCCC2)C(C)C	SCHEMBL12199245,PC-id_58460226	316.825	VITWEQRRNRKSEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049106
Clc1cc2CCCc2cc1NCc1nnc2n1CCCCC2	MCULE-7012757235,EMOLS-id_318506310	316.828	HFNCLZPXYOOSTB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-049107
Clc1ccc2c(c1)C(CC2)NCc1nnc2n1CCCCC2	EMOLS-id_318259618,MCULE-5800959588	316.828	TVFAABXQBRBHPV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-049108
Clc1ccc2c(c1)CCC2NCc1nnc2n1CCCCC2	MCULE-6737900879,EMOLS-id_318026257	316.828	WNVYPPYLUJPJJZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-049109
Clc1cccc2c1CCC2NCc1nnc2n1CCCCC2	MCULE-2974319860,EMOLS-id_318291646	316.828	ZMFZYUKCRVZHIQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-049110
Clc1cccc(c1)C1(NCc2nnc3n2CCCCC3)CC1	EMOLS-id_318183170,MCULE-1257515351	316.828	RXLJURBEEOJGDV-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-049111
Clc1ccc(cc1)C1(NCc2nnc3n2CCCCC3)CC1	MCULE-2073413727,EMOLS-id_318056467	316.828	HTUDCMDTGGNDAW-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-049112
Clc1ccccc1C1(NCc2nnc3n2CCCCC3)CC1	MCULE-3926818067,EMOLS-id_318725656	316.828	ONDAOYMWRQEHEG-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-049113
Clc1nc(Sc2n3CCCCCc3nn2)sc1CO	PC-id_80692435	316.83	HKGMPOCLYYONAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049114
ClC(c1sc2c(CCCCC2)c1)c1cc2CCCc2cc1	PC-id_63432311	316.888	PMNUNWCGPPUHRB-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-049115
CCN1/C(=N/NC)/COCC2=C1SC(=C2Br)C	PC-id_164010709	317.02	UQYGHKMCYZNENC-NTEUORMPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049116
FC1(F)C(F)(F)n2cnnc2C(C(C1(F)F)(F)F)(F)F	PC-id_117709857,SCHEMBL16253570	317.087	SOEGWESVRDDPHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049117
FC1(F)C(F)(F)n2ncnc2C(C(C1(F)F)(F)F)(F)F	SCHEMBL18501337	317.087	ISHZJZYROPWASG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049118
CC(C1=CC2=C(C=C1)OCO2)N3CCC4=C(CC3)SC(=N4)N	PC-id_154685768	317.12	QTHVUNZRXZKPJJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-049119
c12cc([nH]c1C(=O)NCCC2(OC)C(=O)OC)Br	CNP0295178,CMNPD25181	317.136	HHWJTSBSSGESOM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049120
CO[C@@]1(CCNC(=O)c2c1cc([nH]2)Br)C(=O)OC	UNPD230280	317.136	HHWJTSBSSGESOM-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049121
CCC1=C(C(=NO1)C)CNC(=O)C2=COC3=C2C(=O)NCCC3	MCULE-8858375448,PC-id_154770712,EMOLS-id_317386759	317.138	BJOKSOOWJVEMEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049122
CC(C)N1C2=C(C(CCC(CC2)OCC(=O)OC)(F)F)N=N1	PC-id_155054568	317.155	DHFGWBUXGJWVCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049123
CCN1C=NC(=N1)C(=O)N[C@H]2CCN3C(=CC(=N3)C)N(C2=O)C	PC-id_153055161	317.16	VIIMLULPIXBERL-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-049124
CCN(C1=CC(=C(C=C1)C)F)C(=O)C2CCC3=NN=NN3CC2	MCULE-5827581241,EMOLS-id_317321441,PC-id_154763029	317.165	NVKBHMDCJAJZPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049125
O=C(c1coc2c1C(=O)NCCC2)NC1CC(C1)(Cl)Cl	MCULE-6358261073,EMOLS-id_320016209	317.168	YIIUFSPBCBRQQO-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-049126
CCOC(=O)c1c(Br)nn2CCCC(C)(C)Oc12	EMOLS-id_337723519	317.179	RAQFROKIUQHRSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049127
CCOC(=O)c1c(Br)nn2CCCC(CC)Oc12	EMOLS-id_337723775	317.179	HZOWBLVUAMDUOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049128
Brc1n2CCN(CCc2nn1)C(=O)OC(C)(C)C	PC-id_67980981,MCULE-7649876925,EMOLS-id_44196359,SCHEMBL9951616	317.182	HGFYKMIOCPRKGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049129
CC(C)(C)OC(=O)N1CCCn2nc(Br)nc2C1	EMOLS-id_316041991	317.182	RJHWYLXJNLPXLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049130
P(=O)(O)(O)COCCn1c2c(nc1)c(=O)nc([nH]c2=O)N	PC-id_503429	317.195	JCGMLVMDXOSEQL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-049131
Clc1nc(Sc2n3CCCCCc3nn2)nc(Cl)n1	PC-id_60725984	317.198	LTTUYBGKYBJFGI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049132
Clc1nnc(Cl)nc1Sc1n2CCCCCc2nn1	PC-id_81035593	317.198	UPWBFQBNEIGANL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049133
CC1(CC2=C(CN(C1)C(=O)NCCCN(C)CC#C)C=NN2)C	MCULE-7389937243,PC-id_154763855,EMOLS-id_317274360	317.222	SGICGIIEMMZHIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049134
c1(NC(=O)C(Cl)Cl)sc2c(CCCCCC2)c1C#N	PC-id_4090257,EMOLS-id_4001713,MCULE-5426735163,CoCoCo_6803009,TIMTEC124644	317.234	DKRBOISDOLHLSG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049135
c1(C(F)(F)F)noc(CN2CCCn3nc(CO)cc3C2)n1	EMOLS-id_55696641,PC-id_91792646,MCULE-1295640253	317.267	MQOAEYKCYNAXON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049136
CNCc1c(Br)sc2c1CCCN(C2)C(C)C	PC-id_138565155,SCHEMBL20922757	317.288	ZCAAXLNYLIURKM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049137
CCOC(=O)c1c(N)c(c2-c1ccc(cc2)CC(=O)O)C(=O)O	PC-id_141580518	317.293	UWFOWCJUDVADDN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049138
ClC(c1sc2c(CCCCC2)c1)c1sccc1Cl	PC-id_80530537	317.297	ZPRKEQYTCUJNHE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-049139
ClC(c1sc2c(CCCCC2)c1)c1sc(Cl)cc1	PC-id_63432417	317.297	FOOGSCCTVOUQMF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-049140
FC(F)(F)C(=O)c1[nH]c2C(CCCCCc2c1)C(=O)OCC	PC-id_11370524	317.304	FZUXQUIAARTKAH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049141
CN1CC(C(C1)C(F)(F)F)C(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319902841,MCULE-5952781709	317.31	YSEXRRYRFXXMCV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-049142
O=C(C1(CCCC1)C(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102175370	317.31	IAJUGJNJDYRCBR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-049143
O=C(N1CCCn2c(C1)cc(n2)N)NC1CC(C1)C(F)(F)F	EMOLS-id_319666392	317.31	RZCNLIIUCFBLFL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-049144
O=C(N1CCCn2c(C1)cc(n2)N)NC(C(F)(F)F)C1CC1	EMOLS-id_320229724,MCULE-2962547978	317.31	XGNCQPQJSMOAIK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-049145
Fc1c(NC(=O)c2c3c(oc2)CCCCC3=O)ccc(OC)c1	PC-id_9883435	317.312	QOBQEJNQDPECSX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049146
CCc1ncc(cc1NC(=O)c1coc2c1C(=O)NCCC2)F	MCULE-6497339472,EMOLS-id_320302138	317.315	ZXNRIWUKVLAYSY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-049147
Fc1ccc(cc1)CN1CCCn2c(C1=O)c(O)c(n2)C(=O)C	SCHEMBL13947768,PC-id_57528496	317.315	SXZZHTHTKRSUKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049148
Fc1ccc(CN2CCCn3c(C2=O)cc(c3)C(=O)NO)cc1	SCHEMBL12210780,PC-id_58465792	317.315	OURGAIAJLAUXEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049149
O=C(c1coc2c1C(=O)NCCC2)NCc1nccc(c1F)C	EMOLS-id_320049672,MCULE-8983757374	317.315	UDFLVGGUZUOCQD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-049150
O=NC(=O)CC1N=C(NC1=O)Nc1nc2c(s1)C=CCC=C2	PC-id_143204715	317.323	MDQLJCXZERTFNM-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-049151
FC(c1ccc(s1)CNC1CCn2c(CC1)nnn2)(F)F	EMOLS-id_318250040,MCULE-8988001471	317.333	IJQVVQOLNQTZEL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049152
FC(c1cscc1CNC1CCn2c(CC1)nnn2)(F)F	EMOLS-id_318183194,MCULE-6056549603	317.333	HZHWMCHQZRZLCG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049153
FC(c1csc(n1)NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318014072	317.333	RKLRQHMRRVGXOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049154
FC(c1nnc(s1)NCc1cnc2n1CCCCC2)(F)F	EMOLS-id_318699159	317.333	XVHSNWMKRDUQBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049155
FC(c1sccc1CNC1CCn2c(CC1)nnn2)(F)F	MCULE-8487274328,EMOLS-id_318080695	317.333	OACZXIMEJWHFCD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049156
c1(C(=O)OCC)cc2c(C)[nH]c(C)c2cc(C(=O)OCC)c1=O	CoCoCo_6598068,PC-id_762984,EMOLS-id_2423888,MCULE-4563671152,ZINC22_18172731	317.336	SXUFZJPDNMEMFX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-049157
CCCc1cc(c2-c1cc(ccc2)C(=O)NO)OC(=O)OCC	SCHEMBL8332961	317.336	SXUARCVQHVKKEI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049158
Oc1c(cc2-c(c(nc2C)C)cc1C(=O)OCC)C(=O)OCC	CHEMBL1312490	317.336	PMYLVDJCUSCJOG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049159
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1c(C)occc1=O	EMOLS-id_318793657	317.34	VOUDGINKYTZQOR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049160
COc1coc(cc1=O)C(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_222756682,ZINC22_670439868,MCULE-4912984606	317.34	UJJHOXKKNSQEHN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049161
n12CCC(CCc1nn(CCOc1ccccc1)c2=O)C(=O)O	MCULE-4635086164,EMOLS-id_207876677	317.34	ILWZKRRFARTMLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049162
o1c(c(C(=O)N2CCCn3c(C2)cc(c3)C(=O)NO)cc1C)C	SCHEMBL12210473,PC-id_53475741	317.34	LSXMMTDONLXSON-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049163
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OCCOc1ccc(cn1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_319568557	317.34	NUQKVVBRIDLMNR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049167
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OC(=O)C(Nc1nc2-c(c1C#N)ccccc2)Cc1ccccc1	PC-id_10335962	317.341	PMHPBYQCJOIJEE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-049170
c1(C(=O)NCc2c3CCCCCc3[nH]n2)cn(C)c(=O)[nH]c1=O	MCULE-5223271887,PC-id_77094219,EMOLS-id_49893643,ZINC22_216209598	317.343	SFMPCHJGAHLFJA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049171
c1(C(=O)O)cc2n(CCCN(C2)C(=O)C(CC)n2cccn2)n1	PC-id_50969270,MCULE-4300153093,EMOLS-id_32408180	317.343	DLTQOKLEOBXVBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049172
c1([nH]cnc1C)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	EMOLS-id_43066299,ZINC22_72419759,MCULE-8483424830,PC-id_56884328	317.343	GVUQVLQHVJIJEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049173
CC[C@@H](C(=O)N1CCCn2nc(C(=O)O)cc2C1)n1cccn1	PC-id_95131503,ZINC22_65424909	317.343	DLTQOKLEOBXVBL-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049174
CC[C@H](C(=O)N1CCCn2nc(C(=O)O)cc2C1)n1cccn1	PC-id_95131504,ZINC22_65424912	317.343	DLTQOKLEOBXVBL-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049175
CN(C1CCc2nn(C)c(=O)n2CC1)C(=O)c1cccnc1O	EMOLS-id_50590598,MCULE-6116377116,PC-id_91922766	317.343	CACOFQXCBNTCSF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049176
COCC(=O)N1CCCn2c(C1)c(COc1cccnc1)nn2	PC-id_97405223	317.343	UVOCCIGDTONDLU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049177
COCC(=O)N1CC(Cn2c(C1)ncc2)Cn1ncccc1=O	PC-id_118739341	317.343	LQIPKLWCRVLSSJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049178
COC(=O)c1cc(nn1C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_316488359	317.343	XJVIZRPQRFJYKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049179
COC(=O)c1cc(n(n1)C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_319331716	317.343	XNMIOFSDICBHDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049180
O=C(c1ccncc1)N1CCCn2nnc(COCCO)c2C1	PC-id_97517029,ZINC22_96256073,EMOLS-id_44369464,CHEMBL3552799	317.343	PTBIOENMJUZKGG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049181
O=C(c1ccnnc1)N1CCCn2cnc(COCCO)c2C1	PC-id_97405880,ZINC22_96085062,EMOLS-id_46183145	317.343	SVCYZNIZMUEHSB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049182
O=C(c1noc2c1CCCCC2)N1CC(C1)(O)c1cnnn1C	EMOLS-id_319309404	317.343	MCVVDQQYZGMDDH-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-049183
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccn(c(=O)c1)C	EMOLS-id_316677448	317.343	UCFNRUCETZEDQQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049184
O=C(CNC(=O)c1ccco1)NCc1nnc2n1CCCCC2	CoCoCo_4625765,MCULE-6201115185,PC-id_40138838,EMOLS-id_24042656,ZINC22_32902608	317.343	IKDNPLCPHKUDFF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049185
O1C=C(C=CC=Cn2c(CC=NC#CN=CCC=C1)cnc2)C#N	PC-id_57025326	317.345	BLZGHHRMURTWLU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-049186
O1C=C(C=CC=Cn2c(cnc2)C=NC=CN=CC=CC=C1)C#N	PC-id_57232327	317.345	WVXMNMIPCLRXTH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-049187
c12nnnn1CCCCC2C(=O)N1Cc2c(n(nc2)CCO)C1	MCULE-6366539458,PC-id_74242618,EMOLS-id_49664442	317.346	JOKHAHKBMJRXDZ-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-049188
c12nnnn1CCCCC2C(=O)N1CCC(CC1)c1nocn1	PC-id_118789223,MCULE-7462899686,EMOLS-id_82735327	317.346	CSZQLVAARDZUEN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-049189
CC(=O)NCC(=O)N1CCc2ncc(Cn3cncn3)n2CC1	ZINC22_96197010,EMOLS-id_44328953,PC-id_97467154	317.346	OBMHPOYVDTWAPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049190
COc1ncnc(c1)NCc1cnc2n1CCN(CC2)C(=O)N	PC-id_97390242	317.346	MILBZIMMCBCLDO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049191
NC(=O)c1cn2CCN(CCc2n1)C(=O)CCCn1cncn1	EMOLS-id_331128613,ZINC22_1875246103	317.346	YUOXMNNTURVIID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049192
NC(=O)N1CCc2n(CC1)c(cn2)CNC(=O)c1cnn(c1)C	PC-id_97467226	317.346	PKBRLPSHVZVAJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049193
NC(=O)N1CCc2n(CC1)c(cn2)CNC(=O)c1nccn1C	PC-id_97467232	317.346	VQSUZDHYYVEIII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049194
O=C(c1ncn[nH]1)N1CCc2n(CC1)c(nn2)COCC1CC1	PC-id_97405399	317.346	UXCWIWIFPYBMRY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-049195
O=C(c1ncn[nH]1)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97405207	317.346	YKWMKLKZQFOUFH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-049196
O=C([C@@H]1CCCCn2nnnc12)N1Cc2cnn(CCO)c2C1	ZINC22_97641878,PC-id_97929664	317.346	JOKHAHKBMJRXDZ-LLVKDONJSA-N	00000010100000000101000010000010000000000000000000000000	31-01-049197
CS(=O)c1ccc(cc1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318451574	317.406	BAKWSNPACREQPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049548
O=C([C@H]1CCCCn2nnnc12)N1Cc2cnn(CCO)c2C1	ZINC22_97641879,PC-id_97929665	317.346	JOKHAHKBMJRXDZ-NSHDSACASA-N	00000010100000000101000010000010000000000000000000000000	31-01-049198
O=C([C@@H]1CCCCn2nnnc12)N1CCC(c2ncon2)CC1	ZINC22_426640336	317.346	CSZQLVAARDZUEN-LLVKDONJSA-N	00000000100010000101100000000010000000000000000000000000	31-01-049199
O=C([C@H]1CCCCn2nnnc12)N1CCC(c2ncon2)CC1	ZINC22_426640337	317.346	CSZQLVAARDZUEN-NSHDSACASA-N	00000000100010000101100000000010000000000000000000000000	31-01-049200
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCC(C)C	PC-id_19523650	317.35	IPIFXWRLVAYXQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049201
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(CC)C	PC-id_19523691	317.35	SWBBPWCEKIJVMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049202
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCCC	PC-id_19523846	317.35	DUHGMUSTJCCLFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049203
FC(CC(C(=O)O)NC(=O)c1cc2c(s1)CCCCC2)F	MCULE-1984368723,PC-id_121651937,EMOLS-id_71397172	317.351	JGLGEVVYXAUJTP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049204
FC(F)(F)CN1CCN(Cc2cc3CNCCCn3n2)CC1	MCULE-7393991733,EMOLS-id_43156628,ZINC22_72161704,PC-id_56909002	317.353	VYARDEVEZKVFHL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049205
O=C(C(C(c1ccccc1F)C)O)N1CCCc2c(C1)cco2	EMOLS-id_318631976	317.355	GOYYEXJFKABWEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049206
CCc1cc(c2-c1ccccc2)/C=C/1C(=O)Nc2c1cc(F)cc2	PC-id_59301640,SCHEMBL3284964	317.356	WFYVWEALLFZVHL-ODLFYWEKSA-N	00000010100000100110000000001010000000000000000000000000	31-01-049207
CCc1cc(c2-c1ccccc2)C=C1C(=O)Nc2c1cc(F)cc2	SCHEMBL3284971,PC-id_68581098	317.356	WFYVWEALLFZVHL-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-049208
Fc1cc2C(=Cc3c(c4-c(c3C)ccccc4)C)C(=O)Nc2cc1	PC-id_59301625	317.356	IJYKEBSZRJKSQM-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-049209
Fc1cc2/C(=C/c3c(c4-c(c3C)ccccc4)C)/C(=O)Nc2cc1	SCHEMBL3284826,PC-id_68581049	317.356	IJYKEBSZRJKSQM-ODLFYWEKSA-N	00000010100000100110000000001010000000000000000000000000	31-01-049210
Fc1ccc2c(c1)/C(=Cc1c(C)c3-c(c1C)ccccc3)/C(=O)N2	SCHEMBL3284822	317.356	IJYKEBSZRJKSQM-YBFXNURJSA-N	00000010100000100110000000001010000000000000000000000000	31-01-049211
c12cnn(C)c1CCCN(C(=O)Cc1ccc(c(F)c1)OC)C2	EMOLS-id_430540,ZINC22_12671232,MCULE-8081979986,AOP-19598553,PC-id_92438035	317.358	PNSIVQCVWWZNRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049212
c12cnn(C)c1CCCN(C(=O)C(C)Oc1ccc(cc1)F)C2	AOP-19177711,PC-id_110224096,MCULE-1879624331,EMOLS-id_365248	317.358	DTJJCYQCKKTUED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049213
c12nccn1CCCN(C(=O)COc1ccc(cc1)F)C2CC	MCULE-1016913377,EMOLS-id_55717350	317.358	YLZZKUAYTIOYHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049214
C1CN(Cc2cc(nn2C1)CO)C(=O)CCc1cc(ccc1)F	PC-id_91785348	317.358	RCOZSBUVHLCACW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049215
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(c1cccc(c1)F)O	EMOLS-id_319682373	317.358	LPGGIJIBAYPTLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049216
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Oc1ccc(cc1)F)C	EMOLS-id_319298632	317.358	HFLUJUSZQXITFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049217
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Oc1cccc(c1)F)C	EMOLS-id_320109008,MCULE-4495210100	317.358	NMZOPDWKPVOBJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049218
C=C/C(=C(C(=C)F)/Cn1c(=O)[nH]c2c1CCC(=C(N=C2)C)C)/O	PC-id_143804073	317.358	VEINLXCJUCYSLW-DNKFXLOFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-049219
CC(C)C(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_575404769	317.358	DKTBVYKDBJIQJA-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049220
CC(C)C(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_575404774	317.358	DKTBVYKDBJIQJA-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049221
CC(C)C(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_55752107	317.358	DKTBVYKDBJIQJA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049222
C[C@H](Oc1ccc(F)cc1)C(=O)N1CCCc2c(cnn2C)C1	PC-id_92551270,ZINC22_19079030	317.358	DTJJCYQCKKTUED-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049223
C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCCc2c(cnn2C)C1	ZINC22_19079027,PC-id_92551269	317.358	DTJJCYQCKKTUED-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049224
COc1ccc(cc1CC(=O)N1CC(C)Cc2c(C1)cn[nH]2)F	EMOLS-id_319174703	317.358	VNXKLEQZYFDVCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049225
COc1ccc(cc1F)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319011241	317.358	LPWVONSQMZYMAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049226
COc1cc(C)c(cc1F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318652214	317.358	MBEHGVDAJFFQMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049227
COc1ccc(Cn2cc3c(n2)CC(C)(C)CNC3=O)cc1F	ZINC22_634559550	317.358	WQRMMJMBPRNEFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049228
COc1nn(C)c2c1CCCN(C(=O)c1ccc(C)c(F)c1)C2	PC-id_97515519,EMOLS-id_44366634,ZINC22_96254468	317.358	YUFKCJFRLXGTCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049229
COCC1CN(Cc2ccnn2C1)C(=O)Cc1cccc(F)c1	CHEMBL3553396,EMOLS-id_44326797,PC-id_118744982	317.358	LBKSPCLVPIZOKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049230
COCC1CN(Cc2ccnn2C1)C(=O)Cc1ccc(F)cc1	PC-id_118740951,EMOLS-id_44326817	317.358	FCWMLMWYXUHNIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049231
COC[C@@H]1CN(C(=O)Cc2cccc(F)c2)Cc2ccnn2C1	PC-id_97463324,ZINC22_96188899	317.358	LBKSPCLVPIZOKP-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049232
COC[C@H]1CN(C(=O)Cc2cccc(F)c2)Cc2ccnn2C1	ZINC22_96188898,PC-id_97463323	317.358	LBKSPCLVPIZOKP-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049233
COC[C@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2ccnn2C1	PC-id_97463335,ZINC22_96188910	317.358	FCWMLMWYXUHNIU-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049234
COC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2ccnn2C1	PC-id_97463336,ZINC22_96188911	317.358	FCWMLMWYXUHNIU-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049235
COC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)c1ccc(cc1)F	EMOLS-id_319215371	317.358	UQDCSCMAJJSXHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049236
Fc1cccc(c1)CC(=O)N1CCCc2c(C1)c(=O)n(n2C)C	PC-id_97471109	317.358	QIEYMSZUVPLHIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049237
Fc1c(cc(C(N2CCCn3nc(cc3C2)C)C(=O)O)cc1)C	PC-id_50975672	317.358	HHNFRQMZKCWJMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049238
FCCC(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_313747635	317.358	HOAICGRCLLNQJU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049239
O=C(c1ccc(c(c1)O)F)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_318934818	317.358	WECSNHBRBHIUGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049240
O=C(CCF)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_585095200	317.358	HOAICGRCLLNQJU-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049241
O=C(CCF)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_585095204	317.358	HOAICGRCLLNQJU-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049242
s1c2CCCCCc2cc1C(=O)Oc1cc([N+](=O)[O-])ccc1	PC-id_7926127	317.36	OQXGWTPPOROVQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049243
CCc1cc(ccc1F)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319065615	317.361	POLJLZJZKZWQHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049244
CCC(c1nnc2n1CCCCC2)NC(=O)c1ccnc(c1)F	MCULE-9962924517,PC-id_72138922	317.361	NLUQSSQRNKSZQV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049245
CC[C@H](NC(=O)c1ccnc(F)c1)c1nnc2n1CCCCC2	ZINC22_72271640,PC-id_95760994	317.361	NLUQSSQRNKSZQV-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049246
CC[C@@H](NC(=O)c1ccnc(F)c1)c1nnc2n1CCCCC2	ZINC22_72271641,PC-id_95760995	317.361	NLUQSSQRNKSZQV-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049247
CN(Cc1cnc2n1CCN(CC2)C(=O)c1ccncc1F)C	PC-id_97390177	317.361	QYGFMANORHVFAC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049248
CN(C(=O)c1c(N)cccc1F)Cc1nnc2n1CCCCC2	EMOLS-id_319115370	317.361	VBLISUYCYBCLAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049249
CN(C(=O)Nc1ccccc1F)Cc1nnc2n1CCCCC2	EMOLS-id_318526973	317.361	AXUMTXMWLMLKQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049250
FC1(CCC1)C(=O)N1CCCn2c(Cn3cccc3)nnc2C1	ZINC22_1565548230,EMOLS-id_313732821	317.361	VOGTURQNPWVRAA-UHFFFAOYSA-N	00001000110000000101000000000010000000000000000000000000	31-01-049251
Fc1ccc(cc1)CCNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318857718	317.361	IXDBZQJRYQVWTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049252
Fc1ccc(cc1)N(C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_318475977	317.361	YICCSTQMMMOXGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049253
Fc1ccc(cc1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318494637	317.361	IGWUNXCEEPCBBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049254
Fc1cccc(c1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318595408	317.361	MHBNCWXOCIEAAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049255
Fc1ccc(CC(=O)NCCc2nnc3CCNCCn23)cc1	ZINC22_299792589,MCULE-7597647181,EMOLS-id_68922849,PC-id_118760079	317.361	GGUGYQIBEIEJQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049256
Fc1ccc(NC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_16609028	317.361	SLWASDSPBZEENC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049257
Fc1cc(NC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52186097	317.361	JKSOYZNQQWRRHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049258
Fc1cnccc1CN1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_50590051,MCULE-6370124783,PC-id_91922463	317.361	AQTLWAHKIHYEFQ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-049259
O=C(N1CCCn2c(C1)cc(n2)N)NCCc1ccccc1F	EMOLS-id_319540101	317.361	URPYFIZJAZXKFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049260
O=C(NCc1ccccc1F)NCc1nnc2n1CCCCC2	PC-id_51077502,EMOLS-id_33304257,MCULE-2643986530,ZINC22_45570211	317.361	FBCKNJLWRZDYHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049261
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C1Cc2c(C(=O)NC1)sc(n2)NC(=O)C(c1ccccc1)O	PC-id_90625490	317.363	UFNORNJZWWAYRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049264
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)COc1ccccc1	PC-id_90625375	317.363	BNMAPPCPHSDPRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049265
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)OCc1ccccc1	PC-id_90625506	317.363	LWMROLYVQUYAMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049266
COc1ccccc1C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625326	317.363	FWIRZYNGGVTULL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049267
COc1cccc(c1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625327	317.363	PAKOMNPWYUSTLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049268
COc1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625328	317.363	AZGYROPBTKEZJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049269
O=c1sc2c(n1Cc1noc(c3ccoc3)n1)CCCCC2	MCULE-4885462400,EMOLS-id_49016227,ZINC22_96405948,PC-id_72015595	317.363	UYYOPSLAUOVERX-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-049270
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O=C(N1CCCC(c2c1ccs2)N)c1ccc(cc1)[N+](=O)[O-]	SCHEMBL6990893,PC-id_21467150	317.363	RERGUCBCHBZNER-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049272
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O=C(Nc1nc2c(s1)CCCCC2)c1cccc([N+](=O)[O-])c1	GD-id_ZINC12758280,MCULE-5902544690,CoCoCo_4546017,PC-id_17524474,ZINC22_12758280,EMOLS-id_16746682	317.363	YGARSZGZUYWJFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049274
O=C(Nc1nc2c(s1)CCCCC2)c1ccc([N+](=O)[O-])cc1	EMOLS-id_16728756,MCULE-6714717690,CoCoCo_4546025,PC-id_17518180,ZINC22_12918310	317.363	HLTALARSNIDVFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049275
O=C(N[C@H]1CSc2n(NC1=O)ccc2)OCc1ccccc1	SCHEMBL19037268,PC-id_10947060	317.363	FMPTYNIRUVHYNL-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049276
OC(=O)C1=CSC2N1C(=O)/C/2=C/c1nc2n(c1)CCCCC2	PC-id_21941346,SCHEMBL2930570	317.363	VLVRGEYTLMKACY-POHAHGRESA-N	00001011100000000101001000000010000000000000000000000000	31-01-049277
OC(=O)C1=CSC2N1C(=O)C2=Cc1nc2n(c1)CCCCC2	SCHEMBL2927988,PC-id_10064404	317.363	VLVRGEYTLMKACY-UHFFFAOYSA-N	00001011100000000101001000000010000000000000000000000000	31-01-049278
O=S(=O)(c1cc2ccccc2o1)N1CCCn2cncc2C1	PC-id_56885532,ZINC22_72129477,EMOLS-id_43071277,MCULE-4748746967	317.363	JBHKUHJBNYCJGE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-049279
S1CC(NC(=O)OCc2ccccc2)C(=O)Nn2c1ccc2	PC-id_23252869	317.363	FMPTYNIRUVHYNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049280
s1n2CCCCCc2c([N+](=O)[O-])/c/1=N/C(=O)c1ccccc1	PC-id_2378432	317.363	UCPPGEPZPYNKNE-NXVVXOECSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049281
CCC(=Nc1nn2CCCCCc2n1)C=C(Cn1cncn1)F	PC-id_90848754	317.365	WPMMTAXYRVFUEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049282
COCC(=O)N1CCc2nnc(CNS(=O)(=O)C)n2CC1	ZINC22_96084970,EMOLS-id_46182961,PC-id_97405788	317.365	ZTPXQDINMSQNJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049283
C1CN(CCn2c1nn(c2=O)CC#N)C(=O)Cc1cscc1	EMOLS-id_50585753,PC-id_91922484,MCULE-3149115946	317.366	JQZHGNDXRXRABA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049284
c1coc(c2nc(CSc3nnc4n3CCCCC4)no2)c1	MCULE-9378949573,EMOLS-id_27396570,PC-id_30789944,ZINC22_23028961,CoCoCo_4711149	317.366	ZGBDRYCUBIUJAG-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-049285
CNC(=O)c1nc2CCN(CCc2s1)C(=O)c1ccncn1	EMOLS-id_44379346,ZINC22_96264756,PC-id_97524689	317.366	UDHFGUIWXGJJJT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049286
N#Cc1ccc(cc1C)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319728946	317.366	NJJWLDIARHCJAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049287
N#Cc1ccc(c(c1)S(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_320330652,MCULE-3762178099	317.366	MGEXPXFSQFVCSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049288
N#CCc1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316708349	317.366	WGFOJUXXPJAWDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049289
S(c1n2CCCCCc2nn1)Cc1oc(nn1)c1occc1	PC-id_7876692	317.366	PPAWCZURZSQRHJ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-049290
Cn1c2c(cn1)c(=O)[nH]c(n2)Sc1nnc2n1CCCCC2	EMOLS-id_98661054,PC-id_137241087	317.369	WUZHWOHFFJQLLI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-049291
COc1c(C)c2-c(c1C(=O)O)ccccc2OCCCN(C)C	SCHEMBL5096022,PC-id_69309427	317.38	MASIVLKWLNUITO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049292
Fc1ccc(cc1)C(=O)/C=C/Sc1nnc2n1CCCCC2	SCHEMBL18905931	317.381	HZADYZKNIXWHBU-PKNBQFBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049293
Cc1ccoc1C(=O)N1CCCn2cnc(COC(C)C)c2C1	PC-id_97520000,ZINC22_96259920,EMOLS-id_44371376	317.383	HNVLSCSNZYCLAU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049294
C/C(=Cc1ccco1)/CN1CCCn2nc(cc2C1)C(O)CO	EMOLS-id_55679917	317.383	LQEJTPSYAAHVJF-MDWZMJQESA-N	00000000101000000101000000000010000000000000000000000000	31-01-049295
CCC(c1c(C)noc1C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100143931	317.383	TVOULPZKFGUZMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049296
CCC(c1c(C)noc1C)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_177219984,MCULE-6130363660	317.383	IACPQGOEMXFWFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049297
CC(Cn1[nH]c(cc1=O)CC(=O)N1CCCc2c(C1)cco2)C	MCULE-3131459936,EMOLS-id_318381803	317.383	DYQXMMDOGNUDEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049298
CC(OCc1ncn2c1CN(CCC2)C(=O)c1ccoc1C)C	PC-id_97405855	317.383	QJFHCHIKSRITNU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049299
CC(=O)[C@H]1CC[C@H](NC(=O)c2cc3n(n2)CCCCC3=O)CC1	ZINC22_1875271803	317.383	YHWJKZZFCRESIJ-JOCQHMNTSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049300
CCOC(=O)c1cc2n(c1)CCCN(C2)C(=O)C1=CCCN1C	SCHEMBL12283561,PC-id_68230430	317.383	LKOKEPBFYZJJDK-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-049301
COc1cc(CN2Cc3ccnn3CCC2CO)cc(OC)c1	EMOLS-id_313742773	317.383	MENJMENHEDHTGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049302
COc1cc(CN2Cc3ccnn3CC[C@H]2CO)cc(OC)c1	ZINC22_585097477	317.383	MENJMENHEDHTGJ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049303
COc1cc(CN2Cc3ccnn3CC[C@@H]2CO)cc(OC)c1	ZINC22_585097478	317.383	MENJMENHEDHTGJ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049304
COCCNC(=O)C1CN(Cc2ccoc2)Cc2cccn2C1	EMOLS-id_50016816	317.383	FCDYPZYFBPCDIA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049305
COCCNC(=O)[C@H]1CN(Cc2ccoc2)Cc2cccn2C1	ZINC22_247824282	317.383	FCDYPZYFBPCDIA-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049306
COCCNC(=O)[C@@H]1CN(Cc2ccoc2)Cc2cccn2C1	ZINC22_247824286	317.383	FCDYPZYFBPCDIA-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049307
n1n2CCCN(CC(=Cc3ccco3)C)Cc2cc1C(CO)O	MCULE-5962079367,PC-id_91786966	317.383	LQEJTPSYAAHVJF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049308
NC(=O)C1C2CCCC2CN1C(=O)c1noc2c1CCCCC2	EMOLS-id_100020377	317.383	IURYEYQDNXHLQJ-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-049309
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O=c1n2CCCCCc2nn1C[C@H](O)COCc1ccccc1	CoCoCo_4763084,PC-id_40020584	317.383	GATWOSURLQHYLY-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049311
O=c1n2CCCCCc2nn1C[C@@H](O)COCc1ccccc1	PC-id_40020581,CoCoCo_4763085	317.383	GATWOSURLQHYLY-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049312
O=c1n2CCCCCc2nn1CC(O)COCc1ccccc1	MCULE-5909289448,EMOLS-id_23985750,PC-id_42893240	317.383	GATWOSURLQHYLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049313
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OCc1cc(oc1C)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	MCULE-6647992546,EMOLS-id_316468071	317.383	PCGKVPDNVHUIOX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049316
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OC(=O)CCc1nn2c(c1)CN(CCC2)C(=O)[C@H]1CCC=CC1	PC-id_95894248	317.383	FFUBDVPZPTZUEE-CYBMUJFWSA-N	00000000100011000101000000000010000000000000000000000000	31-01-049321
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C=C/C(=CC=N)/c1c(c2c([nH]1)C=CCCC2=O)Nc1ccccc1	SCHEMBL18482749,PC-id_137087682	317.384	URVZGAKIYIBDMY-GSGSBDMKSA-N	00000000100000110110000000000010000000000000000000000000	31-01-049324
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c12CN(CCCn1nc(C#N)c2)CC(=O)N1C[C@H](C)O[C@H](C)C1	ZINC22_1506412280,MCULE-2104588043,EMOLS-id_316252727	317.386	AVAGEECVWLQOCX-BETUJISGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049328
c12CN(CCCn1nc(CO)c2)C(=O)CCCn1ccnc1C	PC-id_91768096,MCULE-3272604219,EMOLS-id_55625578	317.386	BCUNOOFBIPZGBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049329
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c1(c(C)noc1C)NC(=O)N(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_68899357,ZINC22_299787280,PC-id_118774683,MCULE-4613993213	317.386	VTDGASYJXCCHJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049332
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Cc1noc(c1)C1CCCN1Cn1nc2n(c1=O)CCCCC2	EMOLS-id_32046052,MCULE-4643884938,PC-id_45834853	317.386	XODRRYMALHPMRE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-049345
Cc1noc(C)c1CCC(=O)NC1CCc2nnc(C)n2CC1	PC-id_91910773,EMOLS-id_50590375,MCULE-8945139703	317.386	WASSUSRMIRSGHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049346
Cc1noc(C)c1CCC(=O)NCc1cc2CNCCCn2n1	EMOLS-id_44427247,PC-id_70715472,ZINC22_82096341,MCULE-3815651798	317.386	XRWKAYMONKOBCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049347
Cc1noc(C)c1CC(=O)N[C@H](C)c1nnc2n1CCCCC2	PC-id_94069843,ZINC22_45897501	317.386	UABMUWGOTIDANR-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049348
Cc1noc(C)c1CC(=O)N[C@@H](C)c1nnc2n1CCCCC2	ZINC22_45897500,PC-id_94069842	317.386	UABMUWGOTIDANR-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-049349
Cc1noc(C)c1CN1Cc2ccnn2C[C@H](C(=O)N(C)C)C1	ZINC22_104784667	317.386	LWFWRGBFYQTTBX-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049350
Cc1noc(C)c1CN1Cc2ccnn2C[C@@H](C(=O)N(C)C)C1	ZINC22_104784672	317.386	LWFWRGBFYQTTBX-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049351
Cc1noc(C)c1CN1CCc2nnc(COCC=C)n2CC1	PC-id_97519283,ZINC22_96259198,EMOLS-id_44369942	317.386	CTKKOVQLMLUEME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049352
Cc1noc(C)c1CN1CCCn2nnc(COCC=C)c2C1	ZINC22_96256056,EMOLS-id_44369432,PC-id_97517012	317.386	JXZQVZLSFXTYQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049353
Cc1noc(C(C)C)c1C(=O)NCc1nnc2n1CCCCC2	ZINC22_22701199,PC-id_30547245,MCULE-2231997961,CoCoCo_4625754,EMOLS-id_31875424	317.386	CFSYMQNQOMSCPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049354
Cc1noc(CN2CCCn3nc([C@@H](O)C4CCC4)cc3C2)n1	PC-id_100027244,ZINC22_218823120	317.386	QWUYZHGUVOLPMH-INIZCTEOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-049355
Cc1noc(CN2CCCn3nc([C@H](O)C4CCC4)cc3C2)n1	PC-id_100027247,ZINC22_218823189	317.386	QWUYZHGUVOLPMH-MRXNPFEDSA-N	00001000100000000101000000000010000000000000000000000000	31-01-049356
CCc1ccc(CN2CCc3nnc(CNC(=O)C)n3CC2)o1	CoCoCo_1284567,CoCoCo_1284568,EMOLS-id_20509303,MCULE-2339549129,ZINC22_20775717,PC-id_29150175	317.386	FZZNHYMDNQHOEP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049357
CCc1nc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)no1	ZINC22_223844128,PC-id_100320269	317.386	HAYMEZGWAGXJAD-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-049358
CCc1nc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)no1	ZINC22_230496371	317.386	HAYMEZGWAGXJAD-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-049359
CCc1noc(n1)CCCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319803205	317.386	IEJBNNPPQLFCPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049360
C#CC1(O)CCN(CC1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_319074293	317.386	CGPJLNQFHYXYIM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049361
CCc1onc(c1)C(=O)NC(c1nnc2n1CCCCC2)CC	EMOLS-id_278311325	317.386	FLPPWSHCLZXMIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049362
CCc1onc(c1)C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_257994583	317.386	VAMPRWBYCJARIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049363
CCC(c1nnc2n1CCCCC2)N1C(=O)[C@@H]2N(C1=O)CCC2	EMOLS-id_100748199	317.386	GCRLRHVYJFPDKN-PIJUOVFKSA-N	00000010100000000101000000000110000000000000000000000000	31-01-049364
CCC(c1nnc2n1CCCCC2)N1C(=O)NC(C1=O)C1CC1	EMOLS-id_100746138	317.386	YHBTXAVCGXXMIO-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-049365
CC(C)(C)c1coc(CNC(=O)[C@@H]2CCc3nncn3CC2)n1	ZINC22_889550798	317.386	WQRMCKCTAKCWSF-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049366
CC(C)(C)c1coc(CNC(=O)[C@H]2CCc3nncn3CC2)n1	ZINC22_889550799	317.386	WQRMCKCTAKCWSF-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-049367
CC(C)(C)c1coc(n1)CNC(=O)C1CCc2nncn2CC1	EMOLS-id_316977600,MCULE-4342877669,PC-id_136567499	317.386	WQRMCKCTAKCWSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049368
CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCNCC2	ZINC22_299786050	317.386	PMRRLAJKZPEACX-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049369
CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCNCC2	ZINC22_299786782	317.386	PMRRLAJKZPEACX-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049370
CCCN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccco1	ChEMBL-DNDi_CHEMBL35854349	317.386	STLHMCWDGWDWIU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049371
CC(Cn1[nH]c(cc1=O)CC(=O)N1CCCc2c(C1)c[nH]n2)C	EMOLS-id_279123996	317.386	MXUAWFNQGXTMLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049372
CC(C)N(C)Cc1nnc2CCN(CCn12)C(=O)c1ccco1	EMOLS-id_46148213,PC-id_97381614,ZINC22_96058958	317.386	BIFGFERPVLJXHD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049373
CC(C)N(C)Cc1nnc2CN(CCCn12)C(=O)c1ccco1	EMOLS-id_44370794,PC-id_97519705,ZINC22_96259623	317.386	UWGJBCIJICMNPA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049374
C[C@@H](Cc1ccco1)NC(=O)NCc1nnc2n1CCCCC2	ZINC22_44914863,PC-id_94022673	317.386	JJZOXBNXBFOSTR-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049375
C[C@H](Cc1ccco1)NC(=O)NCc1nnc2n1CCCCC2	ZINC22_44914868,PC-id_94022674	317.386	JJZOXBNXBFOSTR-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049376
CCN(Cc1ccco1)C(=O)NCc1nnc2n1CCCCC2	PC-id_51079586,ZINC22_42322355,MCULE-4064078596,EMOLS-id_31933098	317.386	MPSDPWFZWHKIOJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049377
CCOCCn1ncc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320063060,MCULE-9536228753	317.386	JHQHUAPVQMFHLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049378
CN1CC(C1)N1CC(CC1=O)C(=O)N1CCCc2c(C1)c[nH]n2	MCULE-5514907402,EMOLS-id_316124062	317.386	JVMSKRLOPWMYDN-UHFFFAOYSA-N	00001010100000000101100000000010000000000000000000000000	31-01-049379
Cn1ncc2c1CCCN(C(=O)Nc1cc(C(C)(C)C)on1)C2	MCULE-2738036068,EMOLS-id_99137858,ZINC22_416793105	317.386	DOJFXTVSSKLTMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049380
CN(C1CCc2nnc(C)n2CC1)C(=O)Cc1c(C)noc1C	EMOLS-id_50590480,MCULE-8789321274,PC-id_91922643	317.386	AJIIRRYYRXMTIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049381
CNc1ncccc1CN1CCCn2nc(cc2C1)C(O)CO	MCULE-9928620905,PC-id_91768337,EMOLS-id_55626276	317.386	UBDGGBDBYYWNHG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049382
CN(CC(c1nn2c(c1)CN(CCC2)C(=O)c1c[nH]cc1)O)C	EMOLS-id_50532015,MCULE-7550225034,PC-id_90649024	317.386	ABHICNDKRRGITL-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-049383
CN(C(C)C)Cc1ncn2c1CN(CCC2)C(=O)c1ccno1	PC-id_97405451	317.386	WMHHFSSMTZAHLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049384
CN(C[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1c[nH]cc1)O)C	PC-id_100040535	317.386	ABHICNDKRRGITL-OAHLLOKOSA-N	00000000110000000101000000000010000000000000000000000000	31-01-049385
CN(C[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1c[nH]cc1)O)C	PC-id_100040536	317.386	ABHICNDKRRGITL-HNNXBMFYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-049386
CN(C)C(=O)C1CN(Cc2c(C)noc2C)Cc2ccnn2C1	EMOLS-id_44326631	317.386	LWFWRGBFYQTTBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049387
CN(C)C(=O)NCc1ncn2c1CN(Cc1ccco1)CCC2	PC-id_97519536,ZINC22_96259452,EMOLS-id_44370456	317.386	AEZSWPOMALWPLA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049388
COc1cccc(CN(C)C2CCc3nn(C)c(=O)n3CC2)n1	EMOLS-id_50586191,MCULE-4448141594,PC-id_91910868	317.386	TYRKJQNORLEYCS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049389
COc1cn(nc1C(NC(=O)c1cnc2n1CCCCC2)C)C	EMOLS-id_319029480	317.386	GPEZGJUXBCIMHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049390
COc1nn(cc1C(=O)N1Cc2cnn(c2CC(C1)(C)C)C)C	EMOLS-id_316645469	317.386	UBHRYTDZOIDBJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049391
COCc1nnc2CC(C)N(Cc3cccnc3OC)CCn12	EMOLS-id_313826090	317.386	XYPHKHIDFYZLOT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049392
COCc1nnc2n1CCN(Cc1cccnc1OC)[C@H](C)C2	ZINC22_585098723	317.386	XYPHKHIDFYZLOT-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049393
COCc1nnc2n1CCN(Cc1cccnc1OC)[C@@H](C)C2	ZINC22_585098724	317.386	XYPHKHIDFYZLOT-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049394
COCCn1nc(c(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319120746	317.386	OAHKQVWOEQQVED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049395
o1c(CC(NC(=O)NCc2n3CCCCCc3nn2)C)ccc1	EMOLS-id_31908036,MCULE-8170836037,PC-id_45814269	317.386	JJZOXBNXBFOSTR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049396
O1CCN(CC1)Cc1nnn2c1CN(CCC2)Cc1ccco1	PC-id_97519698	317.386	FAKJMNMUFSNGAQ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-049397
o1c(C(NC(=O)NCc2n3CCCCCc3nn2)C)ccc1C	PC-id_51083691,EMOLS-id_31998128,MCULE-3720205572	317.386	NNOIPGVPIOOFAT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049398
O=C1CCCN1Cc1nnc2n1CCN(C(=O)C1CCC1)CC2	ZINC22_96259871,EMOLS-id_44371282,PC-id_97519952	317.386	NVACUAPSIKQUSU-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-049399
O=C1CCCN1C[C@H]1CN(C(=O)NC2CC2)Cc2nccn2C1	ZINC22_96188480,PC-id_97462916	317.386	ACFRPUDOIRMCOK-LBPRGKRZSA-N	00100010100000000101000000000010000000000000000000000000	31-01-049400
O=C1CCCN1C[C@@H]1CN(C(=O)NC2CC2)Cc2nccn2C1	ZINC22_96188481,PC-id_97462917	317.386	ACFRPUDOIRMCOK-GFCCVEGCSA-N	00100010100000000101000000000010000000000000000000000000	31-01-049401
O=C1N(C2CC2)CC(C1)C(=O)NCc1n2CCCCCc2nn1	PC-id_53523586,EMOLS-id_36261883,MCULE-3451748010	317.386	NBPIBTUUEHNXLN-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-049402
O=C1NC(C(=O)N1Cc1nnc2n1CCCCC2)(C)C1(C)CC1	EMOLS-id_98177686	317.386	QYVAFAQAIWONGB-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-049403
O=C([C@@]12CC[C@@H](C1(C)C)CC2=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319768341	317.386	OCKJLGVWICMJDQ-JHRGVEIRSA-N	00000010100000000101000000000110000000000000000000000000	31-01-049404
OC[C@@H](c1nn2c(c1)CN(CCC2)Cc1cccnc1NC)O	PC-id_99973298	317.386	UBDGGBDBYYWNHG-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049405
OC[C@H](c1nn2c(c1)CN(CCC2)Cc1cccnc1NC)O	PC-id_99973299	317.386	UBDGGBDBYYWNHG-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049406
OCCn1ncc(c1)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319846926	317.386	ABHVNFWLCQDEPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049407
O=C(N1CCCc2c(C1)cco2)NCc1n[nH]c(n1)C(C)(C)C	EMOLS-id_101623507	317.386	AXLSFGLGHMBNCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049408
O=C(N1CCCc2c(C1)cnn2C)NC1CC(=O)N(C1)C1CC1	EMOLS-id_101722761	317.386	WFYWYMLUVGUCPY-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-049409
O=C(N1CCCn2c(C1)c(nc2)CN1CCCC1=O)NC1CC1	PC-id_97405470	317.386	DXIUSBKYFOLLNX-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-049410
O=C(NC1CC1)N1CC(CN2CCCC2=O)Cn2ccnc2C1	EMOLS-id_44326317	317.386	ACFRPUDOIRMCOK-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-049411
O=C(NC(c1n2CCCCCc2nn1)C)Cc1c(onc1C)C	MCULE-8694683642,EMOLS-id_35699502,PC-id_53515237	317.386	UABMUWGOTIDANR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049412
O=C(NCc1nnc2n1CCCCC2)[C@@H]1CC(=O)N(C2CC2)C1	ZINC22_41820894,PC-id_93824409	317.386	NBPIBTUUEHNXLN-LLVKDONJSA-N	00100010100000000101100000000010000000000000000000000000	31-01-049413
O=C(NCc1nnc2n1CCCCC2)[C@H]1CC(=O)N(C2CC2)C1	ZINC22_41820895,PC-id_93824410	317.386	NBPIBTUUEHNXLN-NSHDSACASA-N	00100010100000000101100000000010000000000000000000000000	31-01-049414
O=C(NCCc1n2CCCCCc2nn1)N(Cc1occc1)C	PC-id_52216010	317.386	DMMYNQJOKOPGTL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049415
Cc1c(c2ccccc2[nH]1)/C=C(C#N)/c1nnc2n1CCCCC2	PC-id_135607217	317.388	UAPXNDHWNKNJCD-SDNWHVSQSA-N	00000000100000100101000001100010000000000000000000000000	31-01-049416
N12CCCCCC1=NN/C/2=C(/C=C/1c2c(N=C1C)cccc2)C#N	PC-id_18774562	317.388	UYUZJBCGQDQJOY-MRDKTQAOSA-N	00000011000000100111000000001010000000000000000000000000	31-01-049417
N12CCCCCC1=NNC2=C(C=C1c2c(N=C1C)cccc2)C#N	PC-id_6835304	317.388	UYUZJBCGQDQJOY-UHFFFAOYSA-N	00000011000000100111000000001010000000000000000000000000	31-01-049418
N1(CCCn2c(C1)cnc2)Cc1n(ccc1)c1ccc(cc1)C#N	PC-id_56909602	317.388	RRRMVLRHDCIOQM-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-049419
c12C(CCCCn1nnn2)C(=O)NCc1cncn1CC(C)C	MCULE-2539907207,EMOLS-id_232854476	317.389	HBPJXEJXRFHULW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049420
c12C(CCCCn1nnn2)C(=O)NCc1[nH]nc(C(C)(C)C)c1	MCULE-5158341066,PC-id_118781659,EMOLS-id_68913606	317.389	OGPKICGKFGEGQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049421
c12CN(CCCn1nc(CNC(=O)c1cnn[nH]1)c2)CC(C)C	MCULE-7868451616,ZINC22_299800671,PC-id_118793085,EMOLS-id_68936178	317.389	USORTCZBXDJPHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049422
c1(C(=O)NCCCn2c(C)nc(C)n2)cn2c(CCNCC2)n1	ZINC22_1857735065,EMOLS-id_330464056,MCULE-9246713079	317.389	FUZQIXGJAKDNEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049423
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1nnn(n1)C(C)(C)C	EMOLS-id_319686829	317.389	IREBMVQPTMJUIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049424
CC(C)(C)c1cc(CNC(=O)[C@@H]2CCCCn3nnnc23)[nH]n1	ZINC22_299778031	317.389	OGPKICGKFGEGQK-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049425
CC(C)(C)c1cc(CNC(=O)[C@H]2CCCCn3nnnc23)[nH]n1	ZINC22_299778048	317.389	OGPKICGKFGEGQK-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-049426
CC(CC(c1nn[nH]n1)NC(=O)c1cnc2n1CCCCC2)C	PC-id_146146473	317.389	GXJWZLLQLJGKPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049427
CC(C)C[C@@H](NC(=O)c1cnc2n1CCCCC2)c1nn[nH]n1	ZINC22_1875324084	317.389	GXJWZLLQLJGKPS-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049428
CC(C)C[C@H](NC(=O)c1cnc2n1CCCCC2)c1nn[nH]n1	ZINC22_1875324085	317.389	GXJWZLLQLJGKPS-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-049429
CC(C)Cn1cncc1CNC(=O)[C@@H]1CCCCn2nnnc12	ZINC22_821502072	317.389	HBPJXEJXRFHULW-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049430
CC(C)Cn1cncc1CNC(=O)[C@H]1CCCCn2nnnc12	ZINC22_821502074	317.389	HBPJXEJXRFHULW-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049431
CCCn1cc(c(n1)C)CNC(=O)C1CCn2c(CC1)nnn2	EMOLS-id_319450839	317.389	GMQXZZBBNYWUJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049432
CC(Cn1cccn1)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320103633,MCULE-1217686738	317.389	IYNSSAQIJAEBDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049433
CC(Cn1ncc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319078438	317.389	LVPZTWLOOCJNGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049434
CC(C)N(C)Cc1ncn2c1CN(C(=O)c1nc[nH]n1)CCC2	ZINC22_96259275,PC-id_97519359,EMOLS-id_44370096	317.389	LYZIFPUZUYDJJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049435
CC(C)Oc1cc(NCc2nnc3CCCCCn23)nc(N)n1	ZINC22_65394550,EMOLS-id_32388384,PC-id_50958793,MCULE-2977065396	317.389	SKBYBOMMAOCCHL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049436
C[C@@H](Cn1cccn1)NC(=O)NCc1nnc2n1CCCCC2	PC-id_97088032,ZINC22_89904403	317.389	XEBGVHKQFOJIPX-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049437
C[C@H](Cn1cccn1)NC(=O)NCc1nnc2n1CCCCC2	ZINC22_89904404,PC-id_97088033	317.389	XEBGVHKQFOJIPX-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049438
CCn1ccc(n1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319748187	317.389	WPCVFYNGOWPWSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049439
CCn1nnc(c1)C(=O)NC(c1nnc2n1CCCCC2)CC	EMOLS-id_316590833	317.389	ALBYOJFWBFMRFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049440
CCn1nnc(c1)C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_316610824	317.389	IMRHVPGWTJXQEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049441
Cn1cc(CCNC(=O)NCc2nnc3n2CCCCC3)cn1	EMOLS-id_45753614,MCULE-9969933473,PC-id_71894014,ZINC22_43779794	317.389	JDTXTEYQOBNQQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049442
Cn1cc(c(n1)C(C)(C)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102181005	317.389	XDIATINCQHFZSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049443
Cn1nc(c(c1)C)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319985323,MCULE-1567478817	317.389	HYOCDDLDEWVOFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049444
CN(C(C)C)Cc1nnc2n1CCCN(C2)C(=O)c1cnc[nH]1	PC-id_97410163	317.389	PHVHOKALTHTLTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049445
CN(CCn1cnc(n1)NC(=O)c1cnc2n1CCCCC2)C	MCULE-6107829425,EMOLS-id_320176075	317.389	VEEGCLTXDSUEGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049446
CN(CCn1cnc(n1)NC(=O)c1n[nH]c2c1CCCCC2)C	EMOLS-id_319346415	317.389	ZATMVBPHWFRCEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049447
CN=C(N(Cc1ccon1)C)NCc1nnc2n1CCCCC2	PC-id_120052998	317.389	CHOFRBFFTVCPIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049448
CN(C(=O)Nc1cc(n(n1)C)C)Cc1nnc2n1CCCCC2	EMOLS-id_319300554	317.389	DFTQDDNSQZWZOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049449
CO[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@H]1c1cnn[nH]1	MCULE-9688558509,ZINC22_621317372,EMOLS-id_316207161	317.389	YVEMEUZDUKQRQX-WCQYABFASA-N	00000010100000000101100000000010000000000000000000000000	31-01-049450
Nc1cc2n(n1)CCCN(C2)C(=O)NCc1c(C)nn(c1C)C	EMOLS-id_318796199	317.389	JGNWGWHZEDMJSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049451
Nc1nnc(o1)C1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_319764727	317.389	ZGURRBSHHYFXOQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-049452
O=C1NCC(Cc2c1cn(n2)Cc1nnn(n1)C(C)(C)C)(C)C	EMOLS-id_318018744	317.389	MWTVIVJLFLJXKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049453
O=C(c1cc(nn1C)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102164497	317.389	WLGAJIMOMSWRJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049454
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)CCCc1nnn[nH]1	EMOLS-id_316953429	317.389	BCOVDWMPBDXMRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049455
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccnn1C(C)(C)C	MCULE-9020335756,EMOLS-id_319898123	317.389	SHSHVXSRLLDDHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049456
O=C(N1CCCn2c(C1)cc(n2)N)Nc1nn(c(c1)C)C(C)C	EMOLS-id_319660228	317.389	FEPAYHQTHPTELJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049457
O=C(N1CCCn2c(C1)cc(n2)N)NCc1ccn(n1)C(C)C	EMOLS-id_319563779	317.389	PCZCPTIKBCTCPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049458
O=C(N1CCCn2c(C1)cc(n2)N)NC(c1cn(nc1C)C)C	EMOLS-id_318988374	317.389	FUJJZTNVSZOSPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049459
O=C(N1CCCn2c(C1)cc(n2)N)NC(c1cnn(c1C)C)C	MCULE-7605186269,EMOLS-id_320219838	317.389	XWTBYRKBOCNHMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049460
O=C(N1CCCn2c(C1)cc(n2)N)NCCCc1cnn(c1)C	EMOLS-id_319551148	317.389	UVFDHYCXCPMJQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049461
O=C(N1CCCn2c(C1)cc(n2)N)NCCCn1ccnc1C	EMOLS-id_319476973	317.389	JIYJTVMMIFEQNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049462
O=C(NCc1n2CCCCCc2nn1)NC(Cn1ccnc1)C	MCULE-9992741195,PC-id_51083699,EMOLS-id_257827995	317.389	VAOGWGMEIPCJEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049463
O=C(NCc1n2CCCCCc2nn1)NC(Cn1nccc1)C	PC-id_71894012,MCULE-9496140217,EMOLS-id_45753618	317.389	XEBGVHKQFOJIPX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049464
OCCN(C(=O)c1sc2c(c1)CCCCCC2)CC(F)F	PC-id_107482736	317.395	MHZUIAGVLFIDMP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049465
CC[C@H](O)c1cc2n(n1)CCCN(Cc1cc(F)ccc1C)C2	PC-id_100067584,ZINC22_221383715	317.401	KSNDBXNCCYKYRR-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049466
CC[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(F)ccc1C)C2	PC-id_100067585,ZINC22_221383767	317.401	KSNDBXNCCYKYRR-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049467
CCC(O)c1cc2CN(Cc3cc(F)ccc3C)CCCn2n1	EMOLS-id_50547785,MCULE-1335833901,PC-id_90653303	317.401	KSNDBXNCCYKYRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049468
CC(C)OCc1ncn2c1CN(Cc1ccc(F)cc1)CCC2	PC-id_97381702,ZINC22_96059049,EMOLS-id_46148389	317.401	ZOEDVAQNGWJFOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049469
Cn1ncc2c1CC(C)(C)CN(Cc1cc(CO)ccc1F)C2	ZINC22_625578746,EMOLS-id_320381797,MCULE-3314904558,PC-id_139020954	317.401	NDNWZKJJEWFZRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049470
Cc1ccc(cc1)S(=O)(=O)N1CCc2c(C(=C1)C)cc(o2)C	PC-id_102185397	317.403	CXYZNRZRVWXIQW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-049471
Cc1ccc(cc1)S(=O)(=O)N1CCc2c(C(=C)C1)cc(o2)C	PC-id_102185396	317.403	AXUWWIXDBBGFKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049472
CCc1cc2n(c1C(=O)c1cccs1)CCCCC2C(=O)O	SCHEMBL11197153,PC-id_20484219	317.403	IQVNKMNIZMYVQU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-049473
C=C/C=C(/C(=O)Nc1sc2c(c1C(=O)O)CCCCC2)C=C	SCHEMBL19464338	317.403	FDQDBVCLNYNGBW-DHZHZOJOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049474
CCOC(=O)C1CCCCn2c1ccc2C(=O)c1cccs1	PC-id_20483765,SCHEMBL11201174	317.403	NTMHJUWCACHADF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-049475
COc1cccc(c1)C(C(=O)N1CCCc2c(C1)ccs2)O	EMOLS-id_318549060	317.403	HOHYWEVKFQLYIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049476
COc1cccc(c1)C(C(=O)N1CCCCc2c1ccs2)O	EMOLS-id_318530334	317.403	SLLJQGYOAAYEPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049477
COc1cccc(c1)C(N1CCCc2c(C1)ccs2)C(=O)O	MCULE-4610091892,EMOLS-id_317993256	317.403	HZWDORJFKWJUST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049478
COc1cc(ccc1O)CC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318075957	317.403	OAFVLSJEDWBYQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049479
COc1ccc(cc1O)CC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318342768	317.403	HBVOJWIPTVTOSW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049480
COc1cc(CO)ccc1C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318460407	317.403	PXDZGLHNKGFMOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049481
COc1cc(CO)ccc1C(=O)N1CCCCc2c1ccs2	EMOLS-id_318412408	317.403	HOPVXUFYOXSPGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049482
Oc1ccc(c(c1)O)CNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_320268351,MCULE-7553601228	317.403	LZGRPUKOXAYINI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049483
O=C(c1cc2c(s1)CCCCC2)NCc1cccc(c1O)O	EMOLS-id_318973537	317.403	FWVXFQOPMZMZMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049484
CS(=O)c1cccc(c1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318546368	317.406	YWFDHQIGKNMYKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049549
OCc1ccc(c(c1)O)NC(=O)c1cc2c(s1)CCCCC2	MCULE-5122355043,EMOLS-id_320315649	317.403	WFCCJYLJBTZLCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049485
O=C(c1coc2c1C(O)CCC2)N1CCCc2c(C1)ccs2	EMOLS-id_319096669	317.403	MVLKICMMPSTNRR-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-049486
O=C(COC(=O)c1cc2c(s1)CCCCCC2)c1ccc[nH]1	MCULE-7179659886,CoCoCo_2876706,ZINC22_9813291,EMOLS-id_43708945,PC-id_24341557	317.403	WLKZILLPUYKFRR-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-049487
OC(=O)C1CCCCn2c1cc(c2C(=O)c1ccc(s1)C)C	SCHEMBL11195232,PC-id_20484081	317.403	SEYOWMUNKGTXSQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-049488
OC(=O)C1CCCCn2c1cc(c2C(=O)c1sccc1C)C	PC-id_20483760,SCHEMBL11197551	317.403	BQEJJCRXOFLDRR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-049489
O=S(=O)(c1ccc2c(c1)CCC2)N1CCCc2c(C1)cco2	EMOLS-id_99303143	317.403	RGCPPCMRCOFRDX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-049490
O=S(=O)([C@@H]1C[C@H]1c1ccccc1)N1CCCc2c(C1)cco2	EMOLS-id_101800015	317.403	DQUCBVOHUIDSLT-DOTOQJQBSA-N	00100000100000110100100000000010000000000000000000000000	31-01-049491
O=S(=O)(N1CCCc2c(C1)cco2)c1ccc(cc1)C1CC1	EMOLS-id_101316046	317.403	PEQLUZMZUAELHQ-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-049492
CCC(c1nnc2n1CCCCC2)NC(c1ccc(nc1)F)C	EMOLS-id_279098940	317.404	HUQGJGJSLXECHX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049493
CCC(c1nnc2n1CCCCC2)NC(c1cncc(c1)F)C	EMOLS-id_318082790	317.404	SSZKWLRKIJCHRF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049494
O=C(c1c[n+](c2-c1ccccc2)Cc1ccccc1)N1CCCC1	PC-id_102379350	317.404	ZOANQVOQTVUCNF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-049495
S(=O)(=O)(N(CC1n2c(noc2=O)CCCC1)C)CCCC	PC-id_22901454	317.404	JANHQKJEAGCUOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049496
S(=O)(=O)(N(CCCC)C)CC1n2c(noc2=O)CCCC1	PC-id_22901439	317.404	UYWHBGVEWWPLBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049497
S(=O)(=O)(N(CC(C)C)C)CC1n2c(noc2=O)CCCC1	PC-id_22901443	317.404	CJVCZDUPTXYNHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049498
c1(C(=O)NCc2cc(O)nc(C)n2)cc2c(CCCCC2)s1	ZINC22_218898182,MCULE-4005929286,EMOLS-id_55619918,PC-id_136662135	317.406	SRVODYFFUKQLEZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049499
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(=N/C(=O)c2c(C)cc(nc2O)C)/sc2c(CCCCC2)[nH]1	EMOLS-id_55727956,STOCK7S-55266,ZINC22_252500380,MCULE-8726856224,EMOLS-id_54880928,PC-id_91822267	317.406	SUBYXONAWQYSTB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049500
c1(NC(=O)Nc2ccccc2OC)sc2c(CCCCC2)n1	MCULE-7434635251,PC-id_20966622,EMOLS-id_16329826,CoCoCo_2552402	317.406	WJMCLSDZHULQSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049501
Cc1ccc(c(=O)[nH]1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644891	317.406	LDRWJPMRXRMIMN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049502
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c(s1)CCOC2	EMOLS-id_319029107	317.406	IYTGHTFMOPGCMI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049503
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1S(=O)C	MCULE-1254228284,EMOLS-id_320302495	317.406	JFGSPZZOQBPCKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049504
Cc1nc2c(s1)N(CCCC2)C(=O)c1coc(n1)C1CCC1	EMOLS-id_319042821	317.406	DXLJFESDCVNRIM-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-049505
Cc1nc2c(s1)N(CCCC2)C(=O)c1coc(n1)CC1CC1	EMOLS-id_318906901	317.406	MIKXVYIABUDVBE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-049506
Cc1nc2c(s1)N(CCCC2)C(=O)c1noc2c1CCCC2	EMOLS-id_318803702	317.406	WFKIGDSGKHVVGT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049507
Cc1nc2c(s1)N(CCCC2)C(=O)c1oc(nc1C)C1CC1	EMOLS-id_319218112	317.406	QWJCEEAMNDSEKH-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-049508
Cc1nc2c(s1)N(CCCC2)C(=O)c1onc2c1CCCC2	EMOLS-id_319037798	317.406	NRIWEPBOBZVVTJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049509
Cc1[nH]cc(c(=O)c1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111175057	317.406	VWUDFXPVXJMMMF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049510
Cc1sc2c(n1)CCCCN2C(=O)Cn1ccc(cc1=O)C	MCULE-1156090717,EMOLS-id_320048153	317.406	VYIAOKRVHBVFPG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049511
C=CCOCC1CN(Cc2ccnn2C1)C(=O)c1ccsc1	EMOLS-id_44326949	317.406	CRKOCTAPBADQAV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049512
C=CCOCC1CN(Cc2nccn2C1)C(=O)c1ccsc1	EMOLS-id_44325871	317.406	JOJRPYADZBGRCG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049513
C=CCOCc1ncn2c1CN(C(=O)c1ccsc1)CCC2	ZINC22_96085059,PC-id_97405877,EMOLS-id_46183139	317.406	FMOXLDJLNBBFDY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049514
C=CCOC[C@H]1CN(C(=O)c2ccsc2)Cc2ccnn2C1	PC-id_97463439,ZINC22_96189020	317.406	CRKOCTAPBADQAV-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049515
C=CCOC[C@@H]1CN(C(=O)c2ccsc2)Cc2ccnn2C1	PC-id_97463440,ZINC22_96189021	317.406	CRKOCTAPBADQAV-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049516
C=CCOC[C@H]1CN(C(=O)c2ccsc2)Cc2nccn2C1	PC-id_97462289,ZINC22_96187838	317.406	JOJRPYADZBGRCG-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049517
C=CCOC[C@@H]1CN(C(=O)c2ccsc2)Cc2nccn2C1	PC-id_97462290,ZINC22_96187839	317.406	JOJRPYADZBGRCG-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049518
CC(=O)c1ccc(C(=O)NCc2n[nH]c3c2CCCCC3)s1	ZINC22_220550443,EMOLS-id_50538033,MCULE-4149758297,PC-id_90650665	317.406	UMYNWBIGQFVVGG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049519
CCOc1ncccc1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320258094,MCULE-3922293439	317.406	IKDVSABBOGXTKP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049520
COc1ccc(cc1)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_5902022,CoCoCo_5902021	317.406	SGLLAEQMNHOHQX-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049521
COc1ccc(cc1)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_5902023,CoCoCo_5902020	317.406	SGLLAEQMNHOHQX-KAMYIIQDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049522
COc1ccc(cc1)CN1CCCc2c(C1=N)sc(n2)CO	PC-id_144202806	317.406	IWSHUNLEHDBZLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049523
COc1ccc(cc1)C(=O)CSc1nnc2CCCCCn12	MCULE-7553213733,CoCoCo_5902019,ZINC22_6097962,PC-id_3482657,EMOLS-id_10083572	317.406	CDTDVANTZUAPFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049524
COc1cccc(c1)NC(=O)Nc1nc2c(s1)CCCCC2	PC-id_20966623,CoCoCo_2552403	317.406	AFASKFFXTWMUES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049525
COc1cccc(CN2CCc3nc(C(=O)N)sc3CC2)c1	ZINC22_96146996,CHEMBL3553654,EMOLS-id_44303960,PC-id_97442520	317.406	WVGJAMQHSPZUHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049526
COc1cccc(CNC(=O)c2nc3CCNCCc3s2)c1	ZINC22_306142556,EMOLS-id_50370056	317.406	XCYVIFJOQKFEPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049527
COc1cccc(n1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319801872	317.406	PMXGUHWVVVZKIC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049528
COc1ccc(cn1)CNC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318298752	317.406	KNFHGHFLEZORPP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-049529
COc1cc(C)cnc1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319535106	317.406	FRKHPJQFDHQAEI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049530
COc1ccc(CNC(=O)c2nc3CCNCCc3s2)cc1	MCULE-4897591825,EMOLS-id_50369641,ZINC22_306134617,PC-id_121229575	317.406	NTPWZEKEFHZUDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049531
COc1ccc(C(=O)CSc2nc3n(n2)CCCCC3)cc1	ZINC22_390136,CoCoCo_5900365,PC-id_4186303,MCULE-1056297732,CoCoCo_5900364,Chemmine_63431	317.406	SZSWLZYITRKWMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049532
COc1ccc(nc1)CC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98062881	317.406	HAXNJZYDCFNPBO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049533
COc1ccc(nc1)CNC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318072625	317.406	NCGRVMSQASNHTR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-049534
COc1cccnc1CNC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318240024	317.406	BMIFIYJZJDUAKB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-049535
COc1ccncc1CNC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318267431	317.406	ACFCVPSJANASCR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-049536
COc1cncc(c1C)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319887998,MCULE-7624867755	317.406	ZNJBEEOIEURNEV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049537
COc1cncc(c1C)C(=O)Nc1nc2c(s1)CCCCC2	MCULE-5527099884,EMOLS-id_320228133	317.406	UQKYWSMHMRCGJA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049538
COc1nccc(c1)CNC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318070115	317.406	IMBWFJUBCLEFIZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-049539
COc1ncccc1CNC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318162099	317.406	RARSNWQSLSJUFH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-049540
COc1nc(C)ccc1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318805218	317.406	WOWOIGJAUCIEMI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049541
COCC1CN(Cc2cncn2C1)C(=O)/C=C/c1cccs1	EMOLS-id_49229107	317.406	PSEFJMIOKMEYFK-SNAWJCMRSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049542
COC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2cncn2C1	PC-id_97474926,ZINC22_96206766	317.406	PSEFJMIOKMEYFK-IHVVCDCBSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049543
COC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2cncn2C1	ZINC22_96206767,PC-id_97474927	317.406	PSEFJMIOKMEYFK-MUBLQREKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049544
CSCC(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575405903	317.406	KQEQZMZEHJYGJL-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049545
CSCC(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575405904	317.406	KQEQZMZEHJYGJL-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049546
CSCC(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751879	317.406	KQEQZMZEHJYGJL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049547
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1O)O	PC-id_19985756,SCHEMBL7286504	317.406	AVOVAOWBALHGGC-DUXPYHPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049550
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc(c(c1)O)O	SCHEMBL7286136,PC-id_19985977	317.406	LANSFEPYYATIQS-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049551
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cc(O)ccc1O	SCHEMBL7292464,PC-id_19985898	317.406	WEJLFUUQJGNAAY-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049552
Nc1nc2c(s1)CCN(CC2)C/C=C/c1c(O)cccc1O	PC-id_19985892,SCHEMBL7285706	317.406	VRJDOILLOVVRGL-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049553
Oc1ccc(cc1)SCC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318367565	317.406	JAHOCRXKFDFTAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049554
Oc1cc(/C=C/CN2CCc3c(CC2)nc(s3)N)cc(c1)O	SCHEMBL7286691,PC-id_19985834	317.406	XXWHGIBEKBQQGG-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049555
O=c1cccc(n1C)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110383826	317.406	SQNKOOVTRUBMMI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049556
O=c1[nH]cc(c(c1)C)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111309374	317.406	ODRQMPQJZUMAMZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049557
O=C(c1cc2c(s1)CCCCC2)Nc1[nH]nc2c1COCC2	EMOLS-id_320040782,MCULE-8441102774	317.406	QWAFXQSUPQGTRB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049558
O=C(c1cc2c(s1)CCCCC2)NCCn1cccnc1=O	EMOLS-id_319032058	317.406	VJQRJQRNZVJCSP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049559
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1cccn1C	CoCoCo_3916472,MCULE-8373407952,EMOLS-id_15261923,PC-id_17482070	317.406	AUSMLRYHFIMVRM-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-049560
O=C(c1cccn(c1=O)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110689634	317.406	SIWZQNGWYGAIRN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049561
O=C(c1ccn(c(=O)c1)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644661	317.406	MVSSMPGZTUAALO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049562
O=C(c1cnc(o1)C1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_319471756	317.406	RSCWILXNZDJXPO-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-049563
O=C(c1cn[nH]c1C1CCCO1)N1CCCc2c(C1)ccs2	MCULE-3402830985,EMOLS-id_320270977	317.406	WIAQXOFMRCOCCM-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-049564
O=C(c1c(snc1C)NC1CC1)N1CCCc2c(C1)cco2	MCULE-1011286228,EMOLS-id_318650715	317.406	NPLNRQHAUAFITG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-049565
O=C(c1noc2c1CCCC2)Nc1nc2c(s1)CCCCC2	EMOLS-id_98320497	317.406	AZBUMMMZKRBFOD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049566
O=C(c1noc2c1CCCCC2)Nc1nc2c(s1)CCCC2	EMOLS-id_100952643	317.406	MOIRWTOIQAIUBT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049567
O=C(c1noc2c1CCCCC2)Nc1scc(n1)C1CCC1	EMOLS-id_100932396	317.406	WUZBKBQFGCEMCA-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-049568
O=C(c1noc(c1)C1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98560753	317.406	NLMIVQARLRPGBU-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-049569
O=C(c1onc(c1)C1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100986523	317.406	HHJLBJIDXSXZDM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-049570
O=C(c1sc2c(c1)CCCCCC2)Nc1nccn(c1=O)C	EMOLS-id_111354085	317.406	JUHUVVHNZCSDDG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049571
O=C(c1sc(nc1C)NC1CC1)N1CCCc2c(C1)cco2	MCULE-2676038702,EMOLS-id_318585311	317.406	SBJFGUXDTXMGLC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-049572
O=C(Cn1ccccc1=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_317964486	317.406	CUPCMLVEWXRPPA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049573
O=C(N1CCCc2c(C1)cco2)NCc1scc(n1)C1CC1	EMOLS-id_318481098	317.406	RQXHTBHXZRAMKB-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-049574
O=C(N1CCCCc2c1sc(n2)C)CCc1ccc(=O)[nH]c1	EMOLS-id_318870926	317.406	ZMMIFTMXLRUZNB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049575
O=C(N1CCCCc2c1sc(n2)C)CCn1ccccc1=O	EMOLS-id_319595118	317.406	SULMKYXMQNWQQO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049576
O=C(N1CCCCc2c1sc(n2)C)C(Oc1cccnc1)C	EMOLS-id_320307038,MCULE-1506018105	317.406	JVEHRPSETNKCGF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049577
O=C(N1CCCCc2c1sc(n2)C)COCc1ccccn1	EMOLS-id_319499543	317.406	ZKYZRWGOGASNQZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049578
O=C(N1CCCCc2c1sc(n2)C)COCc1cccnc1	EMOLS-id_319298095	317.406	PYYSEYDEPCAEAH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049579
O=C(Nc1sc2c(n1)CCCCCC2)COc1cccnc1	EMOLS-id_98024901	317.406	CRAFTAWRUNBCQP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049580
s1c2CCCCCCc2nc1NC(=O)c1c(OC)nccc1	PC-id_56021595	317.406	BAQBKUMURIYPDE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049581
s1c2CCN(CCc2nc1N)CC=Cc1cc(O)cc(O)c1	PC-id_54494146	317.406	XXWHGIBEKBQQGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049582
s1c2CCN(CCc2nc1N)CC=Cc1cc(O)c(O)cc1	PC-id_54023472	317.406	LANSFEPYYATIQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049583
s1c2CCN(CCc2nc1N)CC=Cc1c(O)cccc1O	PC-id_54406943	317.406	VRJDOILLOVVRGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049584
s1c2CCN(CCc2nc1N)CC=Cc1c(O)ccc(O)c1	PC-id_54426383	317.406	WEJLFUUQJGNAAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049585
s1c2CCN(CCc2nc1N)CC=Cc1c(O)c(O)ccc1	PC-id_53664448	317.406	AVOVAOWBALHGGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049586
s1c2c(nc1Nc1ccc(OC)cc1)CC(CNC2=O)(C)C	PC-id_24022537	317.406	IABGGOWCPOZKMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049587
s1c2c(nc1Nc1cc(OC)ccc1)CC(CNC2=O)(C)C	PC-id_23790605	317.406	YCNKRHWRPZHPAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049588
S(c1n2CCCCCc2nn1)Cc1cc(ccc1)C(=O)OC	PC-id_7877617	317.406	SVROWGVCRFTAGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049589
S(c1n2CCCCCc2nn1)CC(=O)c1c(OC)cccc1	PC-id_7876769	317.406	JONARUHGBQUUKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049590
CN(C)CCOCc1nnn2c1CN(S(=O)(=O)C)CCC2	PC-id_97381494,EMOLS-id_46147971,ZINC22_96058837	317.408	OKOCGEWQHVCUKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049591
C1CN(CCN1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)N	PC-id_89125824	317.409	DGTJOLLHKFKVMC-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-049592
c1(C(=O)Nc2nnc(C3CCC3)s2)c2CCCCCc2[nH]n1	MCULE-2273402302,EMOLS-id_323250620	317.409	VBCQYHGRYTYBDA-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-049593
c1(nnc2CCCCCn12)C(=O)N1CCCC1c1sccn1	MCULE-3007112154,EMOLS-id_50535275,PC-id_86285287	317.409	JPGZSZLQRKTFDD-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-049594
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc(cn1)N(C)C	EMOLS-id_318928274	317.409	AASDLSXJWASEFZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049595
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnn2c1NCCC2	EMOLS-id_319400735	317.409	FAJUHFLWVDYMCI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049596
Cc1nc2c(s1)N(CCCC2)C(=O)c1n[nH]c2c1CCCN2	EMOLS-id_319221017	317.409	ZKFYDUMZPCKYGW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049597
Cc1nc2c(s1)N(CCCC2)C(=O)c1nnn(c1)C1CCC1	EMOLS-id_318881540	317.409	HSNSKUPZQUPRSN-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-049598
Cc1nc2c(s1)N(CCCC2)C(=O)c1nnn(c1)CC1CC1	MCULE-3609830762,EMOLS-id_320335893	317.409	XYAURJUKYFZKCW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-049599
Cc1nccc(n1)CNC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98037305	317.409	NQEQHLUDAKJUDQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049600
CNc1nc(C)cc(n1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319587818	317.409	KDXNWKGJGURVAI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049601
CN(C)c1cnc(C(=O)Nc2nc3c(s2)CCCCC3)cn1	ZINC22_543719512,PC-id_146131697	317.409	AEAWUKXLVCGULM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049602
CSc1ccc(nc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101859439	317.409	XBADMVRMMXYYRV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049603
CSc1ncccc1C(=O)NCc1nnc2n1CCCCC2	CoCoCo_4625723,MCULE-6534069988,ZINC22_12756260,PC-id_25487114	317.409	DGHASIOOCANKQT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049604
CSCC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	MCULE-2119565557,EMOLS-id_68901990,PC-id_118775937,ZINC22_299785777	317.409	NUUQBQAFLYXYMF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049605
Nc1cnc(cn1)C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319443468	317.409	SHHQDJRYKVMUDL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049606
N/C/1=N/Cc2cc(sc2/C=CC/C=N1)C(=O)N1CCNCC1	SCHEMBL13591755	317.409	DGTJOLLHKFKVMC-FHLWJDMMSA-N	00000000100010000111000000000010000000000000000000000000	31-01-049607
O=C1NCC(Cc2c1cn(n2)Cc1nnc(s1)C1CC1)(C)C	MCULE-7474890312,EMOLS-id_316444543	317.409	RUYOOZCGZCXEBP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-049608
O=C(C1CC1c1sccc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102182385	317.409	TVNCPJFLWRISIY-UHFFFAOYSA-N	00100000100100000101100000000010000000000000000000000000	31-01-049609
O=C(c1cc2c(s1)CCCC2)NC1CCc2n(CC1)nnn2	EMOLS-id_102168175	317.409	KUOSUSFOUKZLRK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049610
O=C(c1cc2c(s1)CCCCC2)N1CCC(C1)c1n[nH]nn1	EMOLS-id_319711464	317.409	PIWKQOIUWSNVFY-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-049611
O=C(C1CCc2n(CC1)cnn2)Nc1nc2c(s1)CCCC2	EMOLS-id_320107675,MCULE-9949383145	317.409	QRFFKPZODQSMON-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049612
O=C(C1CCn2c(C1)ncn2)Nc1nc2c(s1)CCCCC2	EMOLS-id_319215634	317.409	JOVAXCDRSLSIJM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049613
O=C(C1CCn2c(CC1)nnc2)NCc1scc(n1)C1CC1	MCULE-6306796781,EMOLS-id_319917817	317.409	VHBMLLZWISELQV-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-049614
O=C(C1CCn2c(CC1)nnc2)N[C@H]1CCc2c(C1)scn2	EMOLS-id_258107526,MCULE-8520267866	317.409	UNOOJEKHORHGIL-DTIOYNMSSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049615
O=C(c1cnc(s1)NC1CC1)N1CCCc2c(C1)cnn2C	EMOLS-id_318531696,MCULE-4748343151	317.409	ARFUQGBZVCDCIR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-049616
O=C(c1csc2c1CCCC2)NC1CCn2c(CC1)nnn2	EMOLS-id_102166453	317.409	NWHVBZPNXGSEFJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049617
O=C(c1csc(n1)C1CC1)NCc1nnc2n1CCCCC2	EMOLS-id_98509856	317.409	VZMYNDPEONWJBJ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-049618
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O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)C1CCC1	PC-id_51308089	317.429	HYCOGNPHTVEKPN-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-049717
O=C(NCc1n2CCCCCc2nn1)NCCC1=CCCCC1	PC-id_45810658,EMOLS-id_31894496,CoCoCo_4790765	317.429	ZCEBKUQIATXWDO-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-049718
O=C(NCCc1nnc2n1CCCCC2)NC(C1CC1)C1CC1	MCULE-4736326537,ZINC22_45867682,EMOLS-id_48989721,PC-id_72028266	317.429	QXIOLTCLDPDYNC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-049719
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s1c2CCCCCc2c(c1NC(=O)c1sccc1N)C#N	PC-id_61117265	317.429	LEQKKBZPWCFWLX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-049721
S1CC(=CSc2sc(=O)sc12)NNC(=O)CC#N	PC-id_4280062	317.431	QMUZLNGPCDOANV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-049722
Cc1csc2c1c(ncn2)Sc1nnc2n1CCCCC2	EMOLS-id_112010864	317.432	PPQQQCHKHBLXFV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-049723
Cc1nn(c(c1CNC1CCn2c(CC1)nnn2)C)C(C)(C)C	EMOLS-id_102028124	317.432	IPVYULYDVVREPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049724
Cc1nn(C)c(N(C)C)c1CNCc1nnc2n1CCCCC2	CHEMBL3551878,ZINC22_65523341,MCULE-2030505551,PC-id_53543161	317.432	KDLBEIZTCMGXAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049725
CC(C)c1nnc(CN[C@H](C)c2nnc3n2CCCCC3)n1C	PC-id_145879867,EMOLS-id_316911057,MCULE-1906372407,ZINC22_660258896	317.432	VEAIWWAEEWMOFS-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049726
CC(C)N(C)Cc1nnc2CCN(Cc3cnn(C)c3)CCn12	PC-id_97381605,ZINC22_96058949,EMOLS-id_46148195	317.432	XPWBTEZOGMBQTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049727
CC(C)N(C)Cc1nnc2CN(Cc3cnn(C)c3)CCCn12	ZINC22_96259710,EMOLS-id_44370966,PC-id_97519792	317.432	YTEJQQGJABBNGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049728
C[C@@H](NCc1nc(C(C)(C)C)n[nH]1)c1nnc2n1CCCCC2	MCULE-7617688005,PC-id_145879869,EMOLS-id_316908498,ZINC22_660266081	317.432	RDMKKLDAKDCKDT-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049729
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FC1CCC(C1)CS(=O)(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318956217	317.443	AOEOEEXDWBFFFE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-049732
C[O+]=C1C=CC=CC1=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_101446289	317.444	UXXFXGPXDLXUIQ-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-049733
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c1cc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)cs1	ZINC22_96208004,PC-id_97476131	317.449	QULIFUITEJDDEZ-INIZCTEOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-049742
c1cc(CN2CCCn3cnc(COCC4CC4)c3C2)cs1	ZINC22_96059016,EMOLS-id_46148323,PC-id_97381669	317.449	MLPPREVSHIWZCT-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-049743
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c1(CN(C)Cc2csc(C(=O)C)c2)c2CCCCCc2[nH]n1	ZINC22_215199573,MCULE-9890682503,PC-id_77081605,EMOLS-id_49871732	317.449	XNJVNNUULFCTKN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049746
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c1(C(=O)NCCCn2ccnc2)cc2c(CCCCCC2)s1	TIMTEC112504,ZINC22_13745824,EMOLS-id_14095292,PC-id_17217741,MCULE-3503181785,CoCoCo_1075449	317.449	CXEJDJOJMWWKMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049749
c1csc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)c1	PC-id_97463500,ZINC22_96189085	317.449	KTEXJUYKJHQNRK-HNNXBMFYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-049750
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c1csc(CN2Cc3nccn3C[C@H](COCC3CC3)C2)c1	PC-id_97462325,ZINC22_96187876	317.449	STXIPLQUPWLERZ-OAHLLOKOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-049752
c1csc(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)c1	ZINC22_96187877,PC-id_97462326	317.449	STXIPLQUPWLERZ-HNNXBMFYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-049753
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CCC[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1cccs1	CoCoCo_476517,PC-id_51495332,CoCoCo_476515,ZINC22_12147325	317.449	DCCUKBWOXFCISN-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049764
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CC(C)[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1cccs1	CoCoCo_476574,CoCoCo_476576,ZINC22_12147330,PC-id_51495337	317.449	NQXIAFFTSRJSIN-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049767
CC(C)Cn1ccnc1NC(=O)c1cc2c(s1)CCCCC2	MCULE-2383451268,PC-id_51129211,ZINC22_58406089,EMOLS-id_33365681	317.449	FQIFLMPFEPTJJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049768
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O=C(c1sc2c(c1)CCCCCC2)N(CCc1nc[nH]c1)C	EMOLS-id_319316226	317.449	WPZIQHNFJAKBEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049795
O=C(NCCCn1cccn1)c1cc2c(s1)CCCCCC2	MCULE-3614935101,CoCoCo_4807798,PC-id_37394633,EMOLS-id_25669637,ZINC22_30171830	317.449	IHXVKHMJVIZZEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049796
s1c2c(CCCCC2)c(c1NC(=O)NC1CCCCC1)C#N	PC-id_3566049	317.449	MYWPFJNQMKHRCQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-049797
s1c2CCCCCc2nc1NC(=O)C1N(CCCC1)CC#C	PC-id_56198264	317.449	NSYMUCXWWNLAHQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049798
s1c2CCCCCCc2cc1C(=O)Nc1n(ncc1)C(C)C	PC-id_30181987	317.449	DCXKRYGRKGUHCT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049799
s1c2CCCCCCc2cc1C(=O)N(Cc1cn(nc1)C)C	PC-id_31848420	317.449	SLTAFSGATJEOSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049800
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCCC1)C#N	PC-id_22197540	317.449	DURZRYNYNJQDLY-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-049801
C1CC(C1)NCc1nnc2n1CCCN(C2)Cc1cscc1	PC-id_97405587	317.452	KFMFEDWDFHZVQG-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-049802
C1CCn2c(CC1)nnc2CCNC1CCCc2c1ncs2	MCULE-9120921342,EMOLS-id_318559532	317.452	RAMWXRXMOTZYOX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049803
C1CCn2c(CC1)nnc2CNC1(CCCC1)c1nccs1	EMOLS-id_318119005,MCULE-6048573713	317.452	IGCILFLBMYLZSH-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-049804
C1CCN(C1)Cc1nnc2n1CCCN(C2)Cc1cccs1	PC-id_97405577	317.452	OGHVRXGUFGTLRB-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-049805
C1CCN(C1)Cc1nnc2n1CCCN(C2)Cc1cscc1	PC-id_97413612	317.452	AMEGQFCFKTVMRR-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-049806
C1CCN(C1)Cc1nnn2c1CN(CCC2)Cc1cscc1	PC-id_97519567	317.452	JBGLVFKRNIERAT-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-049807
c1(CN(C)Cc2cnc(nc2)SC)c2CCCCCc2[nH]n1	PC-id_77097163,EMOLS-id_49898757,MCULE-5129911790,ZINC22_216441305	317.452	HKXVHGKPWLJLEH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049808
c1csc(CN2CCc3ncc(CN4CCCC4)n3CC2)n1	EMOLS-id_44328639,ZINC22_96196853,PC-id_97466997	317.452	LQHCPAGQMUARRB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-049809
CC1(C)Cc2n[nH]cc2CN(Cc2nc3c(s2)CNCC3)C1	EMOLS-id_316183132,MCULE-8137409894,ZINC22_952893079	317.452	RFOXZEPLLGUUBC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049810
Cc1cnc(s1)C(C1CC1)NCc1nnc2n1CCCCC2	EMOLS-id_99444788	317.452	HABVEACWNBWSBO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-049811
Cc1sc2c(n1)CCCC2NCc1nnc2n1CCCCC2	EMOLS-id_318477986	317.452	BGAFFXVZUJHUNK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-049812
CN=C1CCN(C1)C(=NC)c1sc2c(c1N=N)CCCCC2	PC-id_143780050	317.452	VAJHPEMZJHYFNA-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-049813
CCCCCC(=O)C1=C(C)c2coc(c2CNC1)CCCCC	PC-id_101789543	317.466	SJRMCUFFIQJFCE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-049814
CCOC(CS(=O)(=O)N1CCCc2c(C1)ccs2)(C)C	MCULE-6207325024,EMOLS-id_320118071	317.467	NXZHAGPJUOXKRV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049815
c1cc2n(n1)C[C@H](COCC1CC1)CN(CC1CCCCC1)C2	ZINC22_2055708273	317.469	ZKHFJJITCRWNJU-GOSISDBHSA-N	00100000100010000101000000000010000000000000000000000000	31-01-049816
c1cc2n(n1)C[C@@H](COCC1CC1)CN(CC1CCCCC1)C2	ZINC22_2055708275	317.469	ZKHFJJITCRWNJU-SFHVURJKSA-N	00100000100010000101000000000010000000000000000000000000	31-01-049817
CCCCCN(CCCOc1nn2c(c1CC)C=CC=CC2)C	SCHEMBL18975522	317.469	QUEGDBQXVAQXGW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-049818
C(OCC1CN(CC2CCCCC2)Cc2ccnn2C1)C1CC1	EMOLS-id_313723099	317.469	ZKHFJJITCRWNJU-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-049819
CSc1cccc(c1)NC(=O)c1csc2c1CCCCC2	ChEMBL-DNDi_CHEMBLC760-0964,EMOLS-id_16062811,PC-id_20881854,MCULE-6966288172,CoCoCo_2171546	317.469	HUDGZTMWDODSIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049820
O=C(c1cc2c(s1)CCCCC2)N1CCc2sccc2C1	MCULE-5445394224,ZINC22_12215954,CoCoCo_4534302,PC-id_42470221,EMOLS-id_27382477	317.469	HPMBXSXENNWURR-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-049821
O=C(NC1C(C(CCC1)C)C)Cn1nc2c(CCCCCC2)c1	PC-id_20892499	317.469	BDSRMYIQKWINER-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049822
O=C(N[C@H]1CCC[C@@H]([C@H]1C)C)Cn1nc2c(c1)CCCCCC2	CoCoCo_2192337	317.469	BDSRMYIQKWINER-UXLLHSPISA-N	00000000100010000101000000000010000000000000000000000000	31-01-049823
O=C(N[C@H]1CCC[C@@H]([C@@H]1C)C)Cn1nc2c(c1)CCCCCC2	CoCoCo_2192338	317.469	BDSRMYIQKWINER-ZOBUZTSGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049824
O=C(N[C@H]1CCC[C@H]([C@@H]1C)C)Cn1nc2c(c1)CCCCCC2	CoCoCo_2192339	317.469	BDSRMYIQKWINER-VYDXJSESSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049825
O=C(N[C@H]1CCC[C@H]([C@H]1C)C)Cn1nc2c(c1)CCCCCC2	CoCoCo_2192340	317.469	BDSRMYIQKWINER-INMHGKMJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049826
O=C(N[C@@H]1CCC[C@@H]([C@@H]1C)C)Cn1nc2c(c1)CCCCCC2	CoCoCo_2192341	317.469	BDSRMYIQKWINER-YQQAZPJKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049827
O=C(N[C@@H]1CCC[C@H]([C@@H]1C)C)Cn1nc2c(c1)CCCCCC2	CoCoCo_2192342	317.469	BDSRMYIQKWINER-HLLBOEOZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049828
O=C(N[C@@H]1CCC[C@@H]([C@H]1C)C)Cn1nc2c(c1)CCCCCC2	CoCoCo_2192343	317.469	BDSRMYIQKWINER-ZMSDIMECSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049829
O=C(N[C@@H]1CCC[C@H]([C@H]1C)C)Cn1nc2c(c1)CCCCCC2	CoCoCo_2192344	317.469	BDSRMYIQKWINER-BFYDXBDKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049830
s1c2CCCCCc2cc1C(=O)Nc1cc(SC)ccc1	PC-id_7900316	317.469	GWXAEBYGZXQYEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049831
C1CCC(CC1)C1CCCCC1NC1CCn2c(CC1)nnn2	EMOLS-id_102028142	317.472	JTMJJRSXDRIGDG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-049832
C1CCC(CC1)C1CCC(CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_318257685,MCULE-7379922724	317.472	UBJFLPRGPIDYPD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-049833
C1CCC(CN1)C1CCCN(C1)Cc1nnc2n1CCCCC2	MCULE-3015234377,EMOLS-id_318352854	317.472	MJPKPULBJBGBEM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-049834
C1CCC(CN1)C1CCN(CC1)Cc1nnc2n1CCCCC2	MCULE-8483860392,EMOLS-id_318046301	317.472	DVYLFIKWXARHMW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-049835
C1CCn2c(CC1)nnc2CCNC1CCCC1C1CCCN1	EMOLS-id_102122110	317.472	ZRTMUPVDSMIIIZ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-049836
c1nc2n(c1CN1CCCC1)CCN(CCN1CCCC1)CC2	EMOLS-id_44328675,ZINC22_96196872,PC-id_97467016	317.472	SXUKNUNZFWADSU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-049837
CC1(C)CNC1C1CCN(CC1)Cc1nnc2n1CCCCC2	MCULE-2993344740,EMOLS-id_316285893	317.472	OMINBPJPCQPPCP-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-049838
CC1(C)CN[C@H]1C1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_952877352	317.472	OMINBPJPCQPPCP-KRWDZBQOSA-N	00001000100010000101100000000010000000000000000000000000	31-01-049839
CC1(C)CN[C@@H]1C1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_952877353	317.472	OMINBPJPCQPPCP-QGZVFWFLSA-N	00001000100010000101100000000010000000000000000000000000	31-01-049840
CC1CN(CCN1C1CCCC1)Cc1nnc2n1CCCCC2	EMOLS-id_320257221,MCULE-4280147913	317.472	GXDGGPSOEXYMMC-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-049841
CCC(c1nnc2n1CCCCC2)NC1CCN2C(C1)CCC2	EMOLS-id_318266260,MCULE-3466784558	317.472	PSGFLGFZWMJHJK-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-049842
CC(N1C2CCC1CC(C2)NCc1nnc2n1CCCCC2)C	EMOLS-id_319144661	317.472	GYJLTIYRVHQIOB-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-049843
NC(c1cc2c(s1)CCCCC2)Cc1cn2c(n1)scc2	PC-id_105023760	317.472	UHHFSKSQBMXYRP-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-049844
S1C(Cc2c1cccc2)CSc1n2CCCCCc2nn1	PC-id_79322432	317.472	NGBYSGNEMGKCBG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-049845
S=c1n(C[NH2+]C(c2ccccc2)(C)C)nc2n1CCCCC2	GD-id_ZINC50898364	317.472	ZTVNIAYIRXWQCM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-049846
S(CC1c2c(SC1)cccc2)c1n2CCCCCc2nn1	PC-id_79322431	317.472	QTRVKLGFTFOYLK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-049847
CC(CC1CCC(CC1)C(c1nnc2n1CCCCCC2)C)C	PC-id_142840410	317.512	YZUMHAYPOKIRDA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049848
CCOc1cc2-c(ccccc2)c1C(=O)C(Cl)(Cl)Cl	PC-id_91058741	317.595	ZXOMTNJHNRKUHZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049849
Clc1ccc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2)cc1	PC-id_20483729,SCHEMBL11197959	317.767	DRMCYKGZXGLLRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049850
Clc1cc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2)ccc1	PC-id_20484148,SCHEMBL11197599	317.767	IUEGURHHXNJLTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049851
Clc1c(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2)cccc1	SCHEMBL11204222,PC-id_20484204	317.767	NALJUKUVSAMPDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049852
CC(C)(C(=O)N1CCCc2occc2C1)c1ccccc1Cl	ZINC22_572204453	317.81	QWQNUAQLBPGHMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049853
CC(C)(C(=O)N1CCCc2occc2C1)c1cccc(Cl)c1	ZINC22_580242065	317.81	KKDRITPEANPIPC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049854
Clc1ccsc1S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_101316037	317.812	MWWVNIWPHWTAJK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-049855
c12cncn1CCCN(C(=O)CCCc1ccc(cc1)Cl)C2	PC-id_70760719,SCHEMBL16093860,EMOLS-id_43588981,MCULE-2229397430,ZINC22_77459997	317.813	UFRGQOKHWVAGSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049856
c1(C(=O)NCCc2ccc(cc2)Cl)c2CCCCCc2[nH]n1	EMOLS-id_335050527,MCULE-2237101354	317.813	GXKHHFSDKHILJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049857
Cc1ccc(c(c1)Cl)NC(=O)Cn1cc2c(n1)CCCCC2	CoCoCo_2192277,EMOLS-id_28313949,PC-id_20892449	317.813	UPHKBRDTFFODNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049858
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(c(c1)Cl)C	EMOLS-id_318903659	317.813	ASGNZIROKODNAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049859
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1cccc(c1)Cl)C	EMOLS-id_320215919,MCULE-6701853638	317.813	RBNCAHORKJADHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049860
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1ccc(cc1)Cl)C	EMOLS-id_320325744,MCULE-4754130384	317.813	DUWAHOXSMRGEJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049861
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccccc1Cl	EMOLS-id_319073696	317.813	TVKCSWAPBKJDIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049862
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1cccc(c1)Cl	EMOLS-id_319950576,MCULE-8373400331	317.813	NQGKUHQUMIXTRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049863
Clc1c(CC2CCCCc3c2n(nc3C(=O)N)C)cccc1	PC-id_70988014,SCHEMBL13753538	317.813	NZEFZDPKRAIZGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049864
Clc1cccc(c1)CNC(=O)Cn1cc2c(n1)CCCCC2	PC-id_20892423,CoCoCo_2227291	317.813	OIKKBLWJSDVKOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049865
Clc1ccc(CCC(=O)N2CCCc3[nH]cnc3CC2)cc1	PC-id_20803064	317.813	JCLKZQNFPOXKLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049866
Clc1cc(NC(=O)Cn2nc3c(c2)CCCCC3)c(cc1)C	PC-id_16012210,CHEMBL1527286,CoCoCo_2192261	317.813	UDUXOXGYYKRWOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049867
Clc1c(c(NC(=O)Cn2nc3CCCCCc3c2)ccc1)C	CoCoCo_2192272,PC-id_20892444	317.813	VYQCNDJNEZOUDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049868
Clc1cc(NC(=O)Cn2nc3CCCCCc3c2)ccc1C	EMOLS-id_16087229,CoCoCo_2192273,PC-id_20892445	317.813	HVORLGUSDHHNRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049869
Clc1c(CNC(=O)Cn2nc3CCCCCc3c2)cccc1	PC-id_20892431,CoCoCo_2192259	317.813	YQCMXALPNNNSSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049870
Clc1ccc(cc1)C1CC(C1)NC1CCn2c(CC1)nnn2	EMOLS-id_102028301	317.817	JBDQHWWWPQEQTQ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-049871
Clc1cccc(c1)C1CC(C1)NC1CCn2c(CC1)nnn2	EMOLS-id_318610541	317.817	YOKLTKUQPSJZAL-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-049872
Clc1ccccc1C1CC(C1)NC1CCn2c(CC1)nnn2	EMOLS-id_318678784	317.817	HZEVBUKWWMDJFW-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-049873
ClCCCCN1CCSc2c(C1=O)cc(s2)C(=O)C	PC-id_21695263,SCHEMBL9038646	317.855	WGTVBTNTUCTSGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049874
CC[C@@](c1nnc2n1CCCCCC2)(c1ccc(cc1)Cl)C	PC-id_142840407	317.856	NNWLIWXSFLISPV-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049875
CCCCC(c1nn2c(c1)NCCCC2)c1ccc(cc1)Cl	PC-id_142202787	317.856	BJFUXWQSMCCYBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049876
Cc1cc2c(s1)SCCN(C2=O)CCCCCCCl	SCHEMBL9039033,PC-id_21695285	317.898	DWFISKLELRMJMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049877
C1c2nnnn2CC(CC1(F)I)(F)F	PC-id_163916713	317.959	QWWOXGJWHFUYSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049878
Brc1cc2c(coc2c(=O)c(Br)c1)C	PC-id_1206865	317.961	KHQYHJBVLSATOE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-049879
Brc1cccc2c(c1=O)oc(c2Br)C	PC-id_102239219	317.961	NHYJFPQQAKVHDF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-049880
Brc1cc2c([nH]nc2c(=O)c(Br)c1)C	CoCoCo_6868656,CoCoCo_6868657,PC-id_13812965	317.965	IPUXBUXEODXRJI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-049881
CC1=NC(=C2C(=C[I-]1)NC=N2)OC(C)C	PC-id_163874442	318.011	KGYXNKDDISWGLI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-049882
FC1(F)C(F)(F)C(F)(F)n2nnnc2C(F)(F)C1(F)F	PC-id_71467860,SCHEMBL16255486	318.075	IGCTWGZZOQLABU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049883
CC1=CC(=CC=C1)C(=O)C2=C3C=CC=CC=C3C(=C2C)CC(=O)O	PC-id_153789381	318.126	PMKHDIVWWIQXLV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-049884
CCC1=C(C2=CC=CC=CC2=C1C(=O)C3=CC=CC=C3)CC(=O)O	PC-id_153789388	318.126	ULYGHPWRZQEXOB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-049885
CC1=CSC=C1C(=O)NCCCC2=NN=C3N2CCCCC3	PC-id_154736087	318.151	UOHJNNIAFIJJRG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049886
Clc1c(C=Cc2noc3c2ccccc3=O)cccc1Cl	PC-id_4073662	318.154	LKZLVIITWVUJGG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-049887
C1CNCCN2C1=NC(=C2)C(=O)N3CCOC(C3)C4=NNN=N4	PC-id_165418924	318.155	XJSQSZQTGAXICU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-049888
CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)CC(C)C	PC-id_161620402	318.165	WVVQTWLZBHTHSZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049889
BrC(Cn1nc2n(CCCCC2)c1=O)C(=O)OC	PC-id_81092670,EMOLS-id_314678955	318.167	QSEQGEQHVFHMLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049890
COC(N1C2=C(CCCCC2CC3=CC(=CC=C3)F)C=N1)OC	PC-id_153812069	318.174	VEYLMBMRCAAQOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049891
CC(C)(C)C1=COC(=N1)CNC(=O)[C@H]2CCC3=NN=NN3CC2	PC-id_164635513	318.18	LJWPIUVITXFTAL-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-049892
CC1=NN=C2N1CC[C@H](CC2)N(C)CC3=CC(=C(C=C3)F)OC	PC-id_164629863	318.186	WPVUUTPCNDYAFV-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049893
BrC1CCCc2nc(sc2C1=O)C(=O)OCC	PC-id_59737980,SCHEMBL14172833	318.187	ZITMVQCEOCUQON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049894
Brc1c2-c(c(/N=N/c3sccn3)c1)ccccc2	PC-id_21583819	318.192	SKYYTBTYDLGUHK-WUKNDPDISA-N	00000010100000000111000000000010000000000000000000000000	31-01-049895
Brc1sc(/N=N/c2c3-c(cc2)ccccc3)nc1	PC-id_12104206	318.192	OZRCXWZBGCFCAE-WUKNDPDISA-N	00000010100000000111000000000010000000000000000000000000	31-01-049896
Brc1ccc(Cn2cc3CCCCC(=O)c3c2)cc1	PC-id_83206386	318.208	OQMHNSGBUQRPHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049897
Brc1cc(Cn2cc3CCCCC(=O)c3c2)ccc1	PC-id_83207279	318.208	GYNXAZGQLOXYRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049898
Brc1c(Cn2cc3CCCCC(=O)c3c2)cccc1	PC-id_83207590	318.208	QTEPTHCHCRZRCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049899
C1CCC(C2=C(CC1)SC=C2)CN3CCC(C3)C4CCCN4	PC-id_164135777	318.213	YRUFURZLIAKMJU-UHFFFAOYSA-N	00000010100000000100100000000010000000000000000000000000	31-01-049900
Clc1c(CNC2CCn3c(CC2)nnn3)csc1Cl	EMOLS-id_318030338	318.225	ACNLQCNZGXOEFD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-049901
Brc1c2C(CN(CCc2sc1)C(=O)OCC)C	SCHEMBL1181595,PC-id_66934193	318.23	RNGOGIUXZHAWNT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049902
Brc1sc2CCC(NC(c2c1)C)C(=O)OCC	PC-id_67222040,SCHEMBL1947036	318.23	LVBAKAZULRSDQR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049903
Brc1sc2CC(C(NCc2c1)C(=O)OCC)C	PC-id_67221375,SCHEMBL1945467	318.23	VSOFNOAZQXHTKQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049904
Brc1sc2c(CCN(CC2)C(=O)OCC)c1C	PC-id_58256118,SCHEMBL1181645	318.23	FHHJHLTYWXIZMI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049905
Brc1sc2c(C(CN(CC2)C(=O)OCC)C)c1	SCHEMBL1182259,PC-id_58945257	318.23	OQYAFLAWYGQXFG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049906
Brc1sc2c([C@H](CN(CC2)C(=O)OCC)C)c1	PC-id_66934323,SCHEMBL1182260	318.23	OQYAFLAWYGQXFG-QMMMGPOBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049907
Brc1sc2c([C@@H](CN(CC2)C(=O)OCC)C)c1	SCHEMBL1182261,PC-id_66934324	318.23	OQYAFLAWYGQXFG-MRVPVSSYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049908
Brc1sc2CCN(CCc2c1)CC(=O)OCC	PC-id_66867399,SCHEMBL984749	318.23	VDHUDISAQFDNIP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049909
Brc1sc2CC(N(CCc2c1)C(=O)OCC)C	PC-id_58293847,SCHEMBL1425295	318.23	ZZGHGYHKXCIVJD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049910
Brc1sc2C(CN(CCc2c1)C(=O)OCC)C	SCHEMBL3309154,PC-id_68590697	318.23	BKCFKMOGGGVOGX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049911
Fc1c(C#Cc2cc3-c(c2)ccccc3)c(F)c(c(c1F)F)F	PC-id_101570259,CT-id_1507185,1507185_OpenMolecule	318.24	DHNAATIYRKVCGT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-049912
BrCCCCCSc1n2CCCCCc2nn1	EMOLS-id_40355656,PC-id_64203760	318.276	WWTMTFJQSNWTMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049913
BrCC(CSc1n2CCCCCc2nn1)CC	EMOLS-id_40917463,PC-id_65000894	318.276	UUZOWZUIBMUKNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049914
BrCC(CSc1n2CCCCCc2nn1)(C)C	PC-id_65000835,EMOLS-id_40917461	318.276	HMYOWEAVYZLFOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049915
OC(CC(=O)Oc1c2-c(cc1)ccccc2)(CC(=O)O)C(=O)O	SCHEMBL2075186,PC-id_67269249	318.278	JPWPHQWIGPNPPQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049916
o1c2-c(c(C(=O)c3c4-c(oc3=O)ccccc4)c1=O)ccccc2	PC-id_12123909	318.28	GCVJGMFHMULMER-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049917
S(c1n2CCCCCc2nn1)c1c(F)c(F)nc(F)c1F	PC-id_79902593	318.293	MPPMXOJHJOIIGG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049918
c1(cn2c(CCNCC2)n1)C(=O)N1CCOC(C1)C(F)(F)F	EMOLS-id_330464538,MCULE-3707755470	318.295	VWCVSVBBSPMYTA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049919
O=C(c1cn2c(n1)CCNCC2)N1CCO[C@H](C(F)(F)F)C1	ZINC22_1857721562	318.295	VWCVSVBBSPMYTA-JTQLQIEISA-N	00000000100010000101000000000010000000000000000000000000	31-01-049920
O=C(c1cn2c(n1)CCNCC2)N1CCO[C@@H](C(F)(F)F)C1	ZINC22_1857721563	318.295	VWCVSVBBSPMYTA-SNVBAGLBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049921
O=C(Cn1nc2c(c1)C(=O)NCC(C2)(C)C)NCC(F)(F)F	EMOLS-id_318227598	318.295	ZCFYNQLOHGKABJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049922
O=C(N1CCOC(C1)C(F)(F)F)C1CCn2c(CC1)nnc2	EMOLS-id_319240104	318.295	GYLYZTLLTOJUSO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049923
O=C(NC(C(F)(F)F)C1CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102016630	318.298	MAGFNLBLIIZXLB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-049924
OC(=O)c1ccc(c(c1)NC(=O)c1noc2c1CCCCC2)F	MCULE-9576853636,PC-id_120530221,EMOLS-id_57628145	318.3	LHANXNDEYJWHTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049925
s1c(c2OCC(O)C(O)COc2c1C(=O)OC)C(=O)OC	PC-id_60127759	318.3	GJBIBRBOBQWARE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049926
Fc1ccc(cc1)CNC(=O)c1nn2c(c1O)C(=O)NCCC2	PC-id_54697521,SCHEMBL4202514	318.303	UVPZCDXXOPSIFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049927
Fc1c(CCn2c3NC=NCC(O)c3nc2)cc(cc1)C(=O)O	PC-id_10591623	318.303	DMJMGFQZKVLXBB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-049928
O=C(O)c1cc(CCn2cnc3c2NC=NCC3O)ccc1F	PC-id_10781791,CHEMBL36750,BindingDB_PC-id_10781791	318.303	NOOSDRJNHUERME-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-049929
S(=O)(=O)(Oc1c2-c(c(C(C)C)cccc2)cc1)C(F)(F)F	PC-id_11267114	318.311	FLMQSUPUYBNQCX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049930
S(=O)(=O)(Oc1c2-c(cc(C(C)C)ccc2)cc1)C(F)(F)F	PC-id_11404351	318.311	NDNUIKREWMXCCS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-049931
s1c2CCCCCc2c(c1NC(=O)OCC(F)(F)F)C#N	PC-id_65173286	318.315	VFQXPVPYGWJTTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-049932
Cc1nnc2n1CCN(C(=O)/C=C/c1ccc(F)c(F)c1)CC2	PC-id_42214118,EMOLS-id_44851141,ZINC22_11842101,CoCoCo_1121586	318.321	JHRIEAKSTQSGRT-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049933
FC(c1nnc(s1)NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318506439,MCULE-6413506689	318.321	COQZOXNJNQFWKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049934
FC(c1nsc(n1)NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318738278,MCULE-7583718184	318.321	XNAOQCDTESFSFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049935
n12CCN(CCc1nnc2C)C(=O)C=Cc1ccc(c(F)c1)F	PC-id_74781899,MCULE-2274817329	318.321	JHRIEAKSTQSGRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049936
O=C(N1CCn2c(CC1)nnc2C)/C=C/c1cccc(c1F)F	ChEMBL-DNDi_CHEMBL16761525	318.321	BDMLHXLBAZUPIK-AATRIKPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049937
O=C(N1CCn2c(CC1)nnc2C)/C=Cc1ccc(c(c1)F)F	CoCoCo_1121587	318.321	JHRIEAKSTQSGRT-HYXAFXHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049938
O=C(c1noc2c1CCCCC2)NCc1cc(c(o1)C)C(=O)O	EMOLS-id_57610711,PC-id_120523893,MCULE-2071423027	318.325	CMYBGHPXDMMMII-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049939
O=C(N)c1c2-c(cc1C=Cc1ccc([N+](=O)[O-])cc1)ccccc2	PC-id_86005072	318.326	MSBAAALHPCGJOP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-049940
c12CN(CCCn1nc(CO)c2)C(=O)c1[nH]cc(c(=O)c1)OC	MCULE-8904520261,EMOLS-id_55645372,PC-id_91775050	318.328	NTTDKKXPTZKTEC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049941
Cc1ccc(o1)CCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135107884	318.328	RPBOBAQKBDZUAT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049942
COc1ccc(cc1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965703,PC-id_71569478	318.328	VKZZQZFJGAINEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049943
COc1ccc(C(=O)N2CCc3n[nH]c(=O)n3CC2)c(OC)c1	MCULE-6626051595,EMOLS-id_239628693	318.328	DAEGWIJKBJRXMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049944
COc1coc(C(=O)NCc2nnc3n2CCCCC3)cc1=O	MCULE-4853802756,EMOLS-id_97731021,ZINC22_328650969	318.328	JKWGLBDTISAACI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049945
COC(=O)C1CCc2n(CC1)c(nn2)CNC(=O)c1ccco1	PC-id_136557143,EMOLS-id_316949071,MCULE-1805209463	318.328	SJWVGMUDBHLOQQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049946
COC(=O)c1cc(n(n1)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_318986902	318.328	WCTAUGWJKBBCOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049947
COC(=O)[C@H]1CCc2nnc(CNC(=O)c3ccco3)n2CC1	ZINC22_601044897	318.328	SJWVGMUDBHLOQQ-JTQLQIEISA-N	00000000101000000101000000000010000000000000000000000000	31-01-049948
COC(=O)[C@@H]1CCc2nnc(CNC(=O)c3ccco3)n2CC1	ZINC22_601044898	318.328	SJWVGMUDBHLOQQ-SNVBAGLBSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049949
OC1c2ncn(CCCc3oc(cc3)C(=O)OC)c2NC=NC1	PC-id_10495765	318.328	RMKJONLADCADPK-UHFFFAOYSA-N	00000000101000000111000000000010000000000000000000000000	31-01-049950
O=C1NC(=O)N2C1CN(CC2)C(=O)c1noc2c1CCCCC2	EMOLS-id_101050027	318.328	YHYXOVVCTHQHPV-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-049951
O=C(c1ccc(o1)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_120225612	318.328	YQYVOTYQPKSWJZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049952
O=S(=O)(c1cnn2c1cccn2)N1CCCc2c(C1)cco2	EMOLS-id_319248299	318.351	FSAKDLDPBWTZED-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-050035
O=C(c1coc2c1C(=O)NCCC2)N1CCOC(C1)C1(C)N=N1	MCULE-4046034649,EMOLS-id_320075028	318.328	JWBZCZWZSSGNAK-UHFFFAOYSA-N	00110000100010000101100000000010000000000000000000000000	31-01-049953
O=C(c1noc2c1CCCCC2)N1CCOCC1c1ncon1	EMOLS-id_101031403	318.328	KQZOTSLHRIKYSL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-049954
O=C(c1noc2c1CCCCC2)N1CCOC(C1)c1ncon1	EMOLS-id_101044636	318.328	TXBQIYCBEIRKAI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-049955
O=C(c1occ(c1)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_120336210	318.328	UXACZGHDZDXHQA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-049956
O[C@@H]1COC[C@H]1n1nnc(c1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_316107650	318.328	JBSLLAJVCNSACC-CHWSQXEVSA-N	00000010100000000101100000000010000000000000000000000000	31-01-049957
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)c1onc(c1)C	PC-id_56913761,EMOLS-id_43170584,MCULE-6411531643	318.328	MCGHTWZDHRTUOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049958
c12CN(CCCn1nc(CO)c2)C(=O)Cc1cc(=O)[nH]c(N)n1	EMOLS-id_55712504,MCULE-6659540579,PC-id_91798010	318.331	IIYUUFGETHONIC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049959
CCNc1[nH]c(=O)c2c(c(=O)n1)n(cn2)CC1ON=C(C1)CC	PC-id_45238334,EMOLS-id_23830959,MCULE-4194327695	318.331	BGOZFVFWYUAGAR-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-049960
CCNc1[nH]c(=O)c2c(c(=O)n1)n(cn2)C[C@H]1ON=C(C1)CC	CoCoCo_1556697,PC-id_28881913	318.331	BGOZFVFWYUAGAR-VIFPVBQESA-N	00000011100000000111000000000010000000000000000000000000	31-01-049961
CCNc1[nH]c(=O)c2c(c(=O)n1)n(cn2)C[C@@H]1ON=C(C1)CC	PC-id_28881915,CoCoCo_1556696	318.331	BGOZFVFWYUAGAR-SECBINFHSA-N	00000011100000000111000000000010000000000000000000000000	31-01-049962
O=C(Cn1ccc(=O)[nH]c1=O)NCc1nnc2n1CCCCC2	MCULE-1121728366,PC-id_24676702,EMOLS-id_35692424,ZINC22_25667644	318.331	RFLCBQCOBKPTCA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-049963
CCC(C(C(F)(F)F)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316731387	318.338	JWKHQTRKPCZXMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049964
CCC(CC(F)(F)F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101689685	318.338	SXGYXVZNXBLPHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049965
CC(CC(F)(F)F)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101713307	318.338	SUVAPTXQUZBMHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049966
CC(C(C(F)(F)F)NC(=O)N1CCCc2c(C1)cnn2C)C	MCULE-7550657117,EMOLS-id_101869008	318.338	YEYPSLOQZCPEIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049967
CC(C)[C@@H](NC(=O)N1CCCc2c(cnn2C)C1)C(F)(F)F	ZINC22_333855595	318.338	YEYPSLOQZCPEIT-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049968
CC(C)[C@H](NC(=O)N1CCCc2c(cnn2C)C1)C(F)(F)F	ZINC22_333855596	318.338	YEYPSLOQZCPEIT-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049969
CCCCN(C(=O)C1CCn2c(CC1)nnc2)CC(F)(F)F	EMOLS-id_278113044	318.338	NIDDYUYVPLBDHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049970
FC(C1OCCC(C1)NCc1nnc2n1CCCCC2)(F)F	MCULE-6595606508,EMOLS-id_318307525	318.338	VXVOUXUUFDOICC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049971
FC(C1(O)CCCN(C1)Cc1nnc2n1CCCCC2)(F)F	EMOLS-id_111129565	318.338	NRCFVAHUPUMROX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049972
O=S(=O)(c1n[nH]c2c1cccn2)N1CCCc2c(C1)cco2	EMOLS-id_318852152	318.351	DAFGIGVDQIRRRX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-050036
FC(C1(O)CCN(CC1)Cc1nnc2n1CCCCC2)(F)F	EMOLS-id_110461238	318.338	JHCXBJMUKPFGJR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-049973
OC(C(F)(F)F)C1CCCN1Cc1nnc2n1CCCCC2	EMOLS-id_110864673	318.338	FDMADBQTVSKHDC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-049974
CN=C(NCc1nnc2n1CCCCC2)NCCC(F)(F)F	PC-id_109471365	318.341	ODEDVXITGPKSTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-049975
COc1ccc(c(c1)CNC(=O)N1CCCc2c(C1)cco2)F	EMOLS-id_318617692	318.343	NXBGPQWGQYCEDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049976
COc1ccc(c(c1)F)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318723137	318.343	HUPIFCXUUXEXDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049977
COc1ccc(cc1F)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318731833	318.343	IYWXLWMIEDJZKD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049978
COc1cc(CNC(=O)N2CCCc3c(C2)cco3)cc(c1)F	EMOLS-id_318442793	318.343	SSWAFPMMQNYLGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049979
COC1CN(Cc2cccn2C1)C(=O)COc1ccc(F)cc1	EMOLS-id_50013958	318.343	MDTPFHAMXKBIDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049980
CO[C@@H]1CN(C(=O)COc2ccc(F)cc2)Cc2cccn2C1	ZINC22_247844271	318.343	MDTPFHAMXKBIDH-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049981
CO[C@H]1CN(C(=O)COc2ccc(F)cc2)Cc2cccn2C1	ZINC22_247844279	318.343	MDTPFHAMXKBIDH-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049982
Fc1c(NC(=O)c2c3CCCCCc3n(O)c2)ccc(OC)c1	PC-id_54489516	318.343	XUSRSNWMRBNMRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-049983
c12CN(CCCn1nc(CO)c2)C(=O)NCc1cccc(F)c1	PC-id_91769208,EMOLS-id_55628856,MCULE-6074827821	318.346	CCCWWEQMFCSUJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049984
Cc1ccc(F)cc1NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_25509558,EMOLS-id_18837472,MCULE-9204137337,ZINC22_12785196,CoCoCo_4406407	318.346	DMKBJFRMSWBUBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049985
Cc1ccc(NC(=O)Cn2nc3CCCCCn3c2=O)cc1F	PC-id_16231274,MCULE-7063151741,ZINC22_9058162,EMOLS-id_11652621,SPECS-id_AT-687/NB01996,CoCoCo_4406408	318.346	VPYKJKBXNLDQBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049986
CCC(c1nn2c(c1)CN(CCC2)C(=O)c1cncc(c1)F)O	PC-id_90649132,MCULE-1991252597,EMOLS-id_50532375	318.346	GXIGZXYAEKDWEY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049987
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1cncc(c1)F)O	PC-id_100041895	318.346	GXIGZXYAEKDWEY-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049988
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1cncc(c1)F)O	PC-id_100041896	318.346	GXIGZXYAEKDWEY-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049989
CCOc1cc(F)ccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316691631	318.346	YFQAVBZAIVPQIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049990
CCOCC1CN(Cc2nccn2C1)C(=O)c1ccncc1F	EMOLS-id_46160433	318.346	XRICXFSRPOKSRY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049991
CCOC[C@H]1CN(C(=O)c2ccncc2F)Cc2nccn2C1	ZINC22_96066814,PC-id_97389153	318.346	XRICXFSRPOKSRY-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049992
CCOC[C@@H]1CN(C(=O)c2ccncc2F)Cc2nccn2C1	ZINC22_96066815,PC-id_97389154	318.346	XRICXFSRPOKSRY-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-049993
COc1ccc(cc1F)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319606505	318.346	XRYHSPJLJDPTRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049994
COc1cc(ccc1F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101851120	318.346	IRBKQQKBIYSGLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049995
COc1ccc(cc1F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101951916	318.346	ZOGUTRSTZBXLCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049996
COc1ccc(cc1NC(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101952366	318.346	IHYONSAPAGKYNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049997
COc1cc(C)c(cc1F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316720557	318.346	OKYGUFQPBYNSHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049998
COc1cccc(NC(=O)N2CCCc3c(cnn3C)C2)c1F	MCULE-9726229946,ZINC22_841693528,EMOLS-id_316207404	318.346	QFEAQWRIXJBUPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-049999
COc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1F	MCULE-5047946137,EMOLS-id_18842362,CoCoCo_4625753,PC-id_25524460,ZINC22_12804047	318.346	PHGJOHLQSJPKQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050000
COc1ccc(F)cc1C(=O)NCc1nnc2n1CCCCC2	ZINC22_40489067,CoCoCo_4625798,MCULE-2962323118,EMOLS-id_31875446,PC-id_45805032	318.346	SVJAFCNNRKBYMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050001
COc1cc(F)ccc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101943093	318.346	CBKYIUPPYOOJFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050002
COc1nn(C)c2c1CCCN(C(=O)Nc1ccccc1F)C2	PC-id_97515530,ZINC22_96254480,EMOLS-id_44366650	318.346	BZGFPADARDRULQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050003
COc1nn(C)c2c1CCCN(C(=O)Nc1cccc(F)c1)C2	ZINC22_96254481,EMOLS-id_44366652,PC-id_97515531	318.346	QMMNHBSXKXBROF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050004
Fc1ccc(cc1)[C@H](CNC(=O)C1CCn2c(CC1)nnc2)O	EMOLS-id_319787300	318.346	UWKQTGUTDJMTNH-PYMCNQPYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050005
Fc1ccc(C[C@H]2CCn3nnc(c3)COCCNC2=O)cc1	PC-id_71758958	318.346	OFVVXWLXHSYOSI-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050006
Fc1ccc(C[C@@H]2CCn3nncc3COCCNC2=O)cc1	PC-id_71759884	318.346	JOWBCXDIHKZINT-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050007
Fc1ccc(C[C@@H]2CCn3nnc(c3)COCCNC2=O)cc1	PC-id_71760107	318.346	OFVVXWLXHSYOSI-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050008
Fc1ccc(C[C@H]2CCn3nncc3COCCNC2=O)cc1	PC-id_71760377	318.346	JOWBCXDIHKZINT-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050009
Fc1ccc(CNC(=O)Cn2c(=O)n3c(CCCCC3)n2)cc1	MCULE-7813749536,SPECS-id_AT-687/NB01972,ZINC22_8744602,CoCoCo_4406404,EMOLS-id_11962622,PC-id_17420449	318.346	YSGJKZQYFCHJRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050010
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)C(O)C)F	EMOLS-id_258084769,MCULE-7409496083	318.346	LWRGTTYRAWAORC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050011
O=C(C1CCn2c(CC1)nnc2)NCC(c1ccccc1F)O	EMOLS-id_319728793	318.346	CZHCIURYRHGJDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050012
OCC(c1cccc(c1)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319568037	318.346	ZLJJICXJCBOAHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050013
s1c2CCCCCc2cc1C(=O)NNC(=O)c1occc1C	PC-id_24554126	318.391	VWVWDFVRTHOKQT-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050181
O=C(COc1cccc(F)c1)NCc1nnc2n1CCCCC2	EMOLS-id_18868572,PC-id_32077073,ZINC22_24762789,MCULE-3210770016,CoCoCo_4625726	318.346	FZXBCPGREORPQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050014
O=C(N1CCCc2c(C1)cnn2C)NCc1ccc(c(c1)F)O	EMOLS-id_101728380	318.346	IKQPAAUSYJONFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050015
O=C(NCc1nnc2n1CCCCC2)COc1ccccc1F	EMOLS-id_318438187	318.346	JIMQUGGSPWLFPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050016
S(=O)(=O)(CC1n2c(noc2=O)CCCC1)CC(C)C(=O)O	PC-id_72611613	318.346	IVBDUSFUUVMHKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050017
S(=O)(=O)(CC1n2c(noc2=O)CCCC1)C[C@H](C)C(=O)O	PC-id_59974992	318.346	IVBDUSFUUVMHKL-IENPIDJESA-N	00000000100000000101000000000010000000000000000000000000	31-01-050018
CCc1cscc1C(c1cn2c(n1)OC(=O)C=CC(=O)O2)C	PC-id_140389832	318.348	GYZBTNQRFPZBQM-UHFFFAOYSA-N	00000000100100000111000000000010000000000000000000000000	31-01-050019
O=C1C=CC(=O)Oc2n(O1)cc(n2)C(c1scc(c1C)C)C	PC-id_140380182	318.348	YJDQEQAOQMZYBD-UHFFFAOYSA-N	00000000100100000111000000000010000000000000000000000000	31-01-050020
Cc1cnnn1Cc1ncn2c1CN(C(=O)C1(F)CC1)CCC2	ZINC22_1565552113,EMOLS-id_313732573	318.349	KRYBSPWTSQKEJE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050021
CN(C(=O)Nc1ccncc1F)Cc1nnc2n1CCCCC2	EMOLS-id_318778790	318.349	HRKNXPMYBIVSNN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-050022
FC1(CCC1)C(=O)N1CCCn2c(Cn3cccn3)nnc2C1	ZINC22_1565547026,EMOLS-id_313729748	318.349	DFKOQWMBWCCBTR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-050023
FC1(CCC1)C(=O)N1CCCn2c(Cn3ccnc3)nnc2C1	ZINC22_1565547570,EMOLS-id_313782682	318.349	LLQKZRPIISFRPB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-050024
Fc1ccc(nc1)NC(=O)N(Cc1nnc2n1CCCCC2)C	MCULE-1168399385,EMOLS-id_320184753	318.349	RNJQJLWMLXUXHX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-050025
O=C(N1Cc2nccn2C[C@@H](Cn2cncn2)C1)C1(F)CCC1	ZINC22_585110698	318.349	VTSIUCOTTRPMNN-GFCCVEGCSA-N	00001000100000000101000000000010000000000000000000000000	31-01-050026
O=C(N1Cc2nccn2C[C@H](Cn2cncn2)C1)C1(F)CCC1	ZINC22_585110699	318.349	VTSIUCOTTRPMNN-LBPRGKRZSA-N	00001000100000000101000000000010000000000000000000000000	31-01-050027
c12C(=O)NCCCc1nc(NC(=O)c1cccn(C)c1=O)s2	EMOLS-id_48619008,PC-id_72719962,ZINC22_96124377,MCULE-9544493009	318.351	XFGQRYSVURAHPQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-050028
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1noc(c1)C1CC1	PC-id_90625469	318.351	SCBBQVUOWZRAMS-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-050029
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)COc1cnccc1	PC-id_90625266	318.351	CSVGLYFHYUKIBC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-050030
COc1c(cccn1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625295	318.351	QBEZEVUTRLINNK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-050031
COc1ncc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625520	318.351	STQIGCNKBWQANE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-050032
O=C(c1cnc(cn1)C(=O)O)Nc1nc2c(s1)CCCCC2	EMOLS-id_72665337,PC-id_121978207,MCULE-4617788392	318.351	MKXIUNSKVQGCBK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050033
O=S(=O)(c1cnc2n1nccc2)N1CCCc2c(C1)cco2	EMOLS-id_319770813	318.351	XFZQMKQLUJACJM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-050034
s1cc(CCn2c3NC=NCC(=O)c3nc2)cc1C(=O)OC	PC-id_10710659	318.351	MKBHRMREQQDGDI-UHFFFAOYSA-N	00000000100100000111000000000010000000000000000000000000	31-01-050037
N#Cc1ccccc1S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026524	318.354	UMTSGYCTEMWQII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050038
N#Cc1cccc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026533	318.354	OPPCUQKNCLBKQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050039
N#Cc1ccc(cc1)S(=O)(=O)NC1CCn2c(CC1)nnn2	MCULE-8315954045,EMOLS-id_102026530	318.354	NJHFAUHKINIPNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050040
O=C(N1CCCCc2c1sc(n2)C)CC1(CC1)C(F)(F)F	EMOLS-id_319614889	318.358	AQGDLZAWQMJYKE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050041
Fc1ccc(c2c1C(CC2)NCc1nnc2n1CCCCC2)F	EMOLS-id_318135590	318.364	WELZVKQEICNHHV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-050042
Fc1cc(F)c2c(c1)C(CC2)NCc1nnc2n1CCCCC2	EMOLS-id_318250905	318.364	NXIKGHJDVPMKDO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-050043
o1c2-c(cc(C(C)C)ccc2OCCC)c(c1=O)C(=O)OCC	PC-id_10403585	318.364	ZMYOYPFAUAJKQT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050044
o1c2-c(cc(C(C)C)ccc2OC(C)C)c(c1=O)C(=O)OCC	PC-id_10426016	318.364	YKUPMRNRZPQNOD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050045
O=C(c1c(C(C)C)c(c2-c1ccccc2)C(=O)O)c1ccccc1	PC-id_139771637	318.366	GFCIALYXXOIJPM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050046
O(CC(=O)c1c2-c(c(c1)C)ccccc2)c1c(cc(cc1)C)C=O	PC-id_10925193	318.366	MBTZKZPRDDMVGG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050047
OC(=O)CCc1c2-c(c(c1C)C(=O)c1ccccc1)ccccc2	PC-id_139771658	318.366	YWEAIFMGUKSEFY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050048
CC1(COCCN1C(=O)c1coc2c1C(=O)NCCC2)C1CC1	EMOLS-id_316993988,MCULE-4780355149,PC-id_136567933	318.368	KQMSQPHLWSYMCL-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-050049
COC1C2CCCC2C1NC(=O)c1coc2c1C(=O)NCCC2	EMOLS-id_318787815	318.368	VIKNZYBIIIZDOE-UHFFFAOYSA-N	00001010100000000100001000000010000000000000000000000000	31-01-050050
O=C(c1noc2c1CCCCC2)N1C[C@H]2[C@](C1)(CCC2)C(=O)O	PC-id_121899915	318.368	UQZQFEJJFMWLPQ-APPDUMDISA-N	00000010100000000101000000000110000000000000000000000000	31-01-050051
OC(=O)C1C2CCCC2CN1C(=O)c1noc2c1CCCCC2	PC-id_121879824	318.368	GSNWPGXTUITFLT-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-050052
OC(=O)[C@H]1CN(C[C@@H]1C1CC1)C(=O)c1noc2c1CCCCC2	PC-id_120978908	318.368	VOHSALKRBQDJNO-OLZOCXBDSA-N	00100010100000000101100000000010000000000000000000000000	31-01-050053
s1c2c(CCCCC2)c(c1NC(=O)c1oc(cc1)C)C(=O)[O-]	PC-id_4739320	318.368	NHWQIOGAXBXAPP-UHFFFAOYSA-M	00000000101000000100000000000010000000000000000000000000	31-01-050054
CNC(=O)c1cccc(c1)NC(=O)Cc1cc2-c(c1)ccccc2	PC-id_139996503	318.369	RTXPSYPOOYINHX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050055
CNC(=O)c1cccc(c1)NC(=O)Cc1ccc2-c1ccccc2	PC-id_139996488	318.369	BDBVDXHKIMTZHQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050056
COC(=O)c1cc(c2-c1ccccc2)/C(=NNc1ccccc1)/C	PC-id_101430782	318.369	FHVPSBRXHRWMEN-STZFKDTASA-N	00000010100000110110000000000010000000000000000000000000	31-01-050057
O=C(CNC(=O)c1ccc2-c1ccccc2)NCc1ccccc1	SCHEMBL1670902,PC-id_67116118	318.369	NVHWHBIUPHFPQI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050058
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccco1	MCULE-3125721965,ZINC22_91656956,PC-id_72889707,EMOLS-id_46062755	318.371	GHHFGSMBPGSMSA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-050059
c12CN(CCCn1nc(CO)c2)Cc1c(CO)cnc(C)c1O	MCULE-8395147255,EMOLS-id_55708994,PC-id_91796852	318.371	UIPAYWBQMRMTOV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-050060
c12CN(CCCn1nc(CO)c2)CCC(=O)NCc1ccco1	ZINC22_223953439,MCULE-8869605392,PC-id_91798259,EMOLS-id_55713286	318.371	MXJGOHHSXDUCND-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-050061
c1(c(CC)ocn1)C(=O)N1CCCn2c(cc(n2)C(CC)O)C1	EMOLS-id_50531259,PC-id_90648829,MCULE-4324005859	318.371	SVUWXXUYIPATMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050062
c1(CN2CCCn3nc(CCC(=O)O)cc3C2)c(C)noc1C	ZINC22_72480698,EMOLS-id_43179093,MCULE-2832182501,PC-id_56916675	318.371	BGRGUYVNKUQBAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050063
c1(C(=O)N2CCOCC2)cc2n(CCCN(C(=O)C3CC3)C2)n1	EMOLS-id_36467587,ZINC22_71278797,PC-id_56723470,MCULE-9809998006	318.371	BCTLDWUBJXIDRU-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-050064
Cc1ccc(CCC(=O)N(C)Cc2nnc3n2CCOCC3)o1	ZINC22_1615546843,MCULE-7517743898,EMOLS-id_320333764	318.371	IDOWMNUWZQQVTH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-050065
CCc1ocnc1C(=O)N1CCCn2nc([C@@H](O)CC)cc2C1	PC-id_100037322,ZINC22_219294330	318.371	SVUWXXUYIPATMB-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050066
CCc1ocnc1C(=O)N1CCCn2nc([C@H](O)CC)cc2C1	PC-id_100037324,ZINC22_219294354	318.371	SVUWXXUYIPATMB-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050067
CC#CC(=O)NC1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C	MCULE-3549491578	318.371	NRESDGAUAULXBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050068
CC#CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccnn2C1	ZINC22_1875376935	318.371	NRESDGAUAULXBD-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050069
CC#CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccnn2C1	ZINC22_1875376936	318.371	NRESDGAUAULXBD-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050070
C=CCOCc1nnc2CCN(CCn12)C(=O)[C@@H]1[C@H]2COC[C@@H]12	EMOLS-id_313734609,ZINC22_1565547027	318.371	JLMQSWMCQWXGKS-JYAVWHMHSA-N	00100010100000000101010000000010000000000000000000000000	31-01-050071
CC(OCc1ncn2c1CN(CCC2)C(=O)c1cnoc1C)C	PC-id_97405852	318.371	ZTAJDAVWJGZSIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050072
CC(OCc1ncn2c1CN(CCC2)C(=O)c1noc(c1)C)C	PC-id_97405853	318.371	LXYHFWPMEVCRGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050073
CCOCc1nnc2CC(C)N(CCn12)C(=O)c1ccoc1C	EMOLS-id_313823527	318.371	MVYYNGVMWTXBQD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-050074
CCOCc1nnc2n1CCN(C(=O)c1ccoc1C)[C@H](C)C2	ZINC22_585097700	318.371	MVYYNGVMWTXBQD-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-050075
CCOCc1nnc2n1CCN(C(=O)c1ccoc1C)[C@@H](C)C2	ZINC22_585097701	318.371	MVYYNGVMWTXBQD-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-050076
Cn1cccc1C(=O)N1CCCn2cnc(COCCO)c2C1	PC-id_97405882,EMOLS-id_46183149,ZINC22_96085064	318.371	QVHZCBJVUUXHRB-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-050077
CN(C)C(=O)COC1CN(Cc2ccoc2)Cc2ccnn2C1	EMOLS-id_50011400	318.371	GFDOCTPGAAIRTE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-050078
CN(C)C(=O)CO[C@H]1CN(Cc2ccoc2)Cc2ccnn2C1	ZINC22_247964808	318.371	GFDOCTPGAAIRTE-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-050079
CN(C)C(=O)CO[C@@H]1CN(Cc2ccoc2)Cc2ccnn2C1	ZINC22_247964812	318.371	GFDOCTPGAAIRTE-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-050080
CNC(=O)CN1CCCn2cnc(COCc3ccco3)c2C1	PC-id_97520067,EMOLS-id_44371506,ZINC22_96259987	318.371	WFJKGWXNUWWONP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-050081
COc1cccc(CN2CCc3nn(C)c(=O)n3CC2)c1OC	EMOLS-id_50585907,PC-id_91910630,MCULE-1475088015	318.371	SOHODHSWZBMUJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050082
COc1ccc(CN2CCc3nncn3CC2)c(OC)c1OC	EMOLS-id_20559071,PC-id_29258505,CoCoCo_1357109,ZINC22_20999252,MCULE-7995695650,CoCoCo_1357110	318.371	JMGXWECFUOXQQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050083
COc1cc(OC)c(OC)cc1CN1CCc2nncn2CC1	PC-id_28954474,CoCoCo_1230877,EMOLS-id_20471685,MCULE-6758148967,CoCoCo_1230876,ZINC22_20450746	318.371	OEBZCMJUHATRIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050084
COc1cn(nc1C(NC(=O)c1noc2c1CCCCC2)C)C	EMOLS-id_320209213,MCULE-2530299055	318.371	LKXVIFHGSUXYEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050085
COCc1nnc2CC(C)N(CCn12)C(=O)c1cc(C)oc1C	EMOLS-id_313743035	318.371	FZUSFHXWSXSMCF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-050086
COCc1nnc2n1CCN(C(=O)c1cc(C)oc1C)[C@@H](C)C2	ZINC22_585097135	318.371	FZUSFHXWSXSMCF-JTQLQIEISA-N	00000000101000000101000000000010000000000000000000000000	31-01-050087
COCc1nnc2n1CCN(C(=O)c1cc(C)oc1C)[C@H](C)C2	ZINC22_585097136	318.371	FZUSFHXWSXSMCF-SNVBAGLBSA-N	00000000101000000101000000000010000000000000000000000000	31-01-050088
o1c(C(=O)NCCc2n3CCCCCc3nn2)ccc1COC	PC-id_78844151	318.371	ZDUBODMEVNEIKU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-050089
O=C1NC(=O)C(C1)CC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_320297526,MCULE-8425851857	318.371	UUWNIVZFPRFNIY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050090
s1c2CCCCCc2nc1NC(=O)c1ncc(OC)c([O-])c1	PC-id_52902476	318.371	IBNUSYYYFXMISS-UHFFFAOYSA-M	00000000100000101101000000000010000000000000000000000000	31-01-050091
O(c1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1)CC#C	PC-id_78565668	318.372	BCPHPPLQEJDWFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050092
O(c1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1)CC#C	PC-id_7911819	318.372	BCPHPPLQEJDWFO-DTQAZKPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050093
c12C(CCCCn1nnn2)C(=O)NCc1onc(CC(C)C)c1	EMOLS-id_232882262,MCULE-1104661117	318.374	MIPWBZUCCYXINR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050094
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1[nH]ccn1	EMOLS-id_44432883,PC-id_70731439,MCULE-8074731111,ZINC22_82107131	318.374	IIDGPEWHJNQODF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050095
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c12nnnn1CCCCC2C(=O)N(C)Cc1onc(C(C)C)c1	EMOLS-id_68929121,MCULE-2289524913,PC-id_118789517	318.374	VPKLBLADILZJPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050097
c1(C(C)NC(=O)c2oc(nc2C)CC)nnc2CCNCCn12	PC-id_56710815,EMOLS-id_36441594,MCULE-1248468277	318.374	NXMROPWEOPGLAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050098
c1(C(=O)N(C)Cc2noc(C(C)C)n2)nnc2CCCCCn12	MCULE-1840233959,EMOLS-id_50534325,PC-id_86285157	318.374	YYUPDLMTDACEPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050099
Cc1cc(C)n(CCC(=O)NC2CCc3n[nH]c(=O)n3CC2)n1	EMOLS-id_97099980,MCULE-6286023435	318.374	AXVKUDKLBXTZEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050100
Cc1cc(CN(C)C(=O)NCc2nnc3n2CCCCC3)no1	ZINC22_43779757,EMOLS-id_31998152,MCULE-4625823046,PC-id_45830190	318.374	QYWGPUGCYYQLFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050101
Cc1noc(CC(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)n1	ZINC22_585098121	318.374	UIPWAJYCPDMEQF-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050102
Cc1noc(CC(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)n1	ZINC22_585098122	318.374	UIPWAJYCPDMEQF-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050103
CCc1nc(C)c(C(=O)N[C@@H](C)c2nnc3n2CCNCC3)o1	ZINC22_67847609,PC-id_95217482	318.374	NXMROPWEOPGLAA-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-050104
CCc1nc(C)c(C(=O)N[C@H](C)c2nnc3n2CCNCC3)o1	ZINC22_67847610,PC-id_95217483	318.374	NXMROPWEOPGLAA-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050105
CC(C)c1cc(CN(C)C(=O)[C@@H]2CCCCn3nnnc23)on1	ZINC22_299799170	318.374	VPKLBLADILZJPS-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050106
CC(C)c1cc(CN(C)C(=O)[C@H]2CCCCn3nnnc23)on1	ZINC22_299799175	318.374	VPKLBLADILZJPS-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050107
CCC(c1nnc2n1CCCCC2)NC(=O)c1cc(nn1C)O	EMOLS-id_320335650,MCULE-7336741165	318.374	FQGZTCOZDCZYFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050108
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1conc1C	EMOLS-id_257964832,MCULE-7356875027	318.374	BTQBWYDOWGFNIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050109
CC(C)Cc1cc(CNC(=O)[C@@H]2CCCCn3nnnc23)on1	ZINC22_821483362	318.374	MIPWBZUCCYXINR-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050110
CC(C)Cc1cc(CNC(=O)[C@H]2CCCCn3nnnc23)on1	ZINC22_821483363	318.374	MIPWBZUCCYXINR-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050111
CC(C)(C)c1coc(n1)CNC(=O)C1CCc2nnnn2CC1	PC-id_136567503	318.374	LJWPIUVITXFTAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050112
CCC(Cn1nnc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)O	EMOLS-id_318882088	318.374	SRUHJXDVWFPPLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050113
CC(C)n1nccc1NC(=O)Cn1nc2n(c1=O)CCCCC2	MCULE-3259191039,ZINC22_65591257,EMOLS-id_35699884,PC-id_53517689	318.374	KPONZCHCDLVFLF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050114
C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1nnc2n1CCCCC2	PC-id_94098676,ZINC22_46353654	318.374	PQGUIDQAGVEKBY-JTQLQIEISA-N	00000000100011000101000000000010000000000000000000000000	31-01-050115
C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)c1nnc2n1CCCCC2	ZINC22_46353656,PC-id_94098677	318.374	PQGUIDQAGVEKBY-SNVBAGLBSA-N	00000000100011000101000000000010000000000000000000000000	31-01-050116
CCn1ccc(n1)C(=O)NC1CCc2nnc(n2CC1)COC	MCULE-5922567947,PC-id_91922603,EMOLS-id_50590349	318.374	OINQWPMNJYRJAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050117
CN1N=C(CCC1=O)C(=O)NC(c1nnc2n1CCCCC2)C	PC-id_53519417,EMOLS-id_35701068,MCULE-2494378613	318.374	PQGUIDQAGVEKBY-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-050118
CN(Cc1cnn(C)c1)C(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_24481655,EMOLS-id_36264735,PC-id_31852733,MCULE-9624986278	318.374	SRGPOALDWABDHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050119
CN(C)CC1CCn2nccc2CN1C(=O)Cc1nc(C)no1	EMOLS-id_313815597	318.374	UIPWAJYCPDMEQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050120
CN(C(=O)Cn1nc2n(c1=O)CCCCC2)Cc1c[nH]nc1C	EMOLS-id_316703237	318.374	VSFQHLNFRDBTEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050121
CN(C(=O)NCc1nocc1C)Cc1nnc2n1CCCCC2	EMOLS-id_319596059	318.374	BGDRDKVALNKJOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050122
COc1nn(cc1C(=O)NCCc1nnc2n1CCCCC2)C	MCULE-8307726006,EMOLS-id_319957179	318.374	AAFZZDSDJJDCRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050123
COCc1nnc2CCC(CCn12)NC(=O)CCn1cccn1	EMOLS-id_50590393,PC-id_91910777,MCULE-6685887300	318.374	VSOCNLPBVJVDFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050124
COCCn1ccc(C(=O)NCc2nnc3n2CCCCC3)n1	EMOLS-id_75985230,MCULE-6348664393,PC-id_121551635,ZINC22_188963922	318.374	OITUQCYXPBNXNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050125
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N[C@H]1COC[C@H]1Oc1cnn(c1)Cc1nnc2n1CCCCC2	MCULE-8114304402,EMOLS-id_317757918	318.374	IXPKRRAOBMFUTI-QWHCGFSZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050127
o1nc(C(C)C)cc1C(=O)NCCc1n2CCNCCc2nn1	PC-id_56717731,MCULE-5301103400,EMOLS-id_36455843	318.374	XINMNPDGDPLZTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050128
Oc1cc(n(n1)C)C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_319290315	318.374	JYHRUSGOVDUPQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050129
O=c1n2CCCCCc2nn1CC(=O)NC(Cn1ccnc1)C	PC-id_55683624	318.374	MVGMUFHDGKEUAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050130
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OCCn1nnc(c1)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_318868209	318.374	RVAZHIJOHFNOAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050133
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Nc1onc(n1)C(C)C	EMOLS-id_319433805	318.374	FDRQDVSVZQLRIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050134
O=C(Nc1c(C)noc1C)NCCc1nnc2n1CCCCC2	EMOLS-id_98510460	318.374	IJDRVLGPRUPOMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050135
O=C(NCc1ncoc1C)NCCc1nnc2n1CCCCC2	EMOLS-id_98649702	318.374	FSXVFFIDIXXBSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050136
c12CN(CCCn1nc(C#N)c2)Cc1c[nH]nc1c1ccccc1	ZINC22_670455846,MCULE-3312098265,EMOLS-id_222774629	318.376	WGSJNMFFDSAYSI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-050137
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c12nnnn1CCCCC2C(=O)N(C)Cc1nncn1CCC	MCULE-1423137784,EMOLS-id_177472433	318.377	DSQOQRHWTMUGPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050140
CCCn1cnnc1CN(C)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_584898951	318.377	DSQOQRHWTMUGPV-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050141
CCCn1cnnc1CN(C)C(=O)[C@H]1CCCCn2nnnc12	ZINC22_584898952	318.377	DSQOQRHWTMUGPV-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-050142
C[C@H](NC(=O)NCc1nnc2n1CCCCC2)c1nncn1C	PC-id_95152562,ZINC22_65563864	318.377	SKHAKHTUYVELHD-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-050143
C[C@@H](NC(=O)NCc1nnc2n1CCCCC2)c1nncn1C	ZINC22_65563865,PC-id_95152563	318.377	SKHAKHTUYVELHD-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050144
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COc1ccc(cc1F)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318290620	318.389	KJWNXBSOUZPKKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050150
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c1(NC(=O)c2ccc(C)o2)sc2c(CCCCC2)c1C(=O)N	CoCoCo_6786183,ChEMBL-DNDi_CHEMBL5694072,ZINC22_218549,MCULE-7097451655,EMOLS-id_2301883,TIMTEC315499,PC-id_757894	318.391	MPPGFYLOLJICER-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050153
c1(NC(=O)c2ccco2)sc2c(CCCCCC2)c1C(=O)N	ZINC22_375875,TIMTEC570028,PC-id_844550,EMOLS-id_2200770,MCULE-5616494102,CoCoCo_904823	318.391	YHOFEOJIHIYFJU-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050154
c1(NC(=O)c2ccoc2C)sc2c(CCCCC2)c1C(=O)N	CHEMBL1576399,ZINC22_433918,BindingDB-id_112812,CoCoCo_684534,EMOLS-id_2301921,PC-id_868903,MCULE-8408161053,BindingDB_PC-id_868903,ChEMBL-DNDi_CHEMBL1576399,TIMTEC212811	318.391	IFJIDDMJHQXOKE-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050155
Cc1nc2c(s1)N(CCCC2)C(=O)c1occ2c1CCOC2	EMOLS-id_318842118	318.391	AHFUNEPJKPAYMK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-050156
CC(C(=O)N1CCCc2c(C1)cco2)NC(=O)c1cccs1	EMOLS-id_318498960	318.391	FFAHCHSFZKNXNS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-050157
CC(C(=O)N1CCCc2c(C1)ccs2)NC(=O)c1ccco1	EMOLS-id_318158858	318.391	PCOZEXZKPNHMOY-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050158
CC(C(=O)N1CCCc2c(C1)ccs2)NC(=O)c1ccoc1	EMOLS-id_318043984	318.391	GYJZRUUWKGODEV-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050159
CC(C(=O)N1CCCCc2c1ccs2)NC(=O)c1ccco1	EMOLS-id_318219799	318.391	FXZGKTSPALGCDL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050160
CC(C(=O)N1CCCCc2c1ccs2)NC(=O)c1ccoc1	EMOLS-id_318070418	318.391	UXHXPKPUSSXFIN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050161
C[C@@H](C(=O)N1CCCc2c(C1)ccs2)NC(=O)c1ccco1	EMOLS-id_318158602	318.391	PCOZEXZKPNHMOY-NSHDSACASA-N	00000000101000000100000000000010000000000000000000000000	31-01-050162
C[C@@H](C(=O)N1CCCCc2c1ccs2)NC(=O)c1ccco1	EMOLS-id_318237274	318.391	FXZGKTSPALGCDL-NSHDSACASA-N	00000000101000000100000000000010000000000000000000000000	31-01-050163
COc1ccc(cc1)CN1CCCc2c(C1=O)sc(n2)CO	SCHEMBL6893549,PC-id_69930277	318.391	BYAIIYUOAVQUQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050164
COc1ccc(c(c1)C(=O)N1CCCCc2c1sc(n2)C)O	EMOLS-id_319080041	318.391	PPVVTIZCLWBGBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050165
COc1cccc(c1O)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318897317	318.391	ILGIPQRHGPNINM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050166
COc1ccc(c(c1)O)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319356729	318.391	LGXBRGWSFQAWTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050167
COc1cccc(c1O)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112808236	318.391	PRIPYXIQXHTXTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050168
COc1ccnc(c1C(=O)N1CCCc2c(C1)ccs2)OC	EMOLS-id_318232271	318.391	RYYKZLGRGRNLCJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-050169
COc1cn(C)c(cc1=O)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_320118295,MCULE-7538936290	318.391	DYYFYOYEEKVLNG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-050170
N#CC(=C(N)C)C(=O)COC(=O)c1cc2c(s1)CCCCC2	MCULE-5337666437,PC-id_71954484,EMOLS-id_43703917	318.391	DZDVWRCQEQBPSI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050171
N#C/C(=C(N)/C)/C(=O)COC(=O)c1cc2c(s1)CCCCC2	PC-id_16283749,CoCoCo_2861331	318.391	DZDVWRCQEQBPSI-ZRDIBKRKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050172
N#C/C(=C(/N)C)/C(=O)COC(=O)c1cc2c(s1)CCCCC2	PC-id_98417745,CoCoCo_2861332	318.391	DZDVWRCQEQBPSI-BENRWUELSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050173
O=C(c1conc1C1(C)COC1)N1CCCc2c(C1)ccs2	EMOLS-id_319340284	318.391	KGBVDWCICUKRKX-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-050174
O=C(c1sc2c(c1)CCCCCC2)NNC(=O)c1ccco1	MCULE-3706146235,EMOLS-id_16796970,PC-id_17540028,CoCoCo_3291627	318.391	SAONBLFLQGOQSC-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050175
O=C(N1CCCc2c(C1)cco2)CNC(=O)c1ccc(s1)C	EMOLS-id_318668350	318.391	IVSVCLNDFWVBQW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-050176
O=C(N1CCCc2c(C1)ccs2)CNC(=O)c1ccoc1C	EMOLS-id_318162358	318.391	VBMPGQYBSOSADQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050177
O=C(N1CCCCc2c1ccs2)CNC(=O)c1ccoc1C	EMOLS-id_318069650	318.391	MJOBGQRDSCVILD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050178
O=C(N1CCCCc2c1sc(n2)C)COc1ccccc1O	EMOLS-id_319263331	318.391	CDDWNMMCOOXQFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050179
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(occ1)C	PC-id_24488097	318.391	LDIVBFLNZHERCZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050180
s1c2CCCCCc2cc1C(=O)NNC(=O)c1oc(cc1)C	PC-id_51165340	318.391	KHPQNKANMOGJBB-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050182
s1c2CCCCCc2cc1C(=O)OCC(=O)C(C(=N)C)C#N	PC-id_7587347	318.391	JWXUXMLWZQIFBH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050183
s1c2c(CCCCC2)c(c1NC(=O)c1occc1)C(=O)NC	PC-id_7475070	318.391	GXIQUOYGCKFHSZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050184
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1CC1)C#N	PC-id_4558354	318.391	AHVNKSMYPSKNKB-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-050185
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=CC)C#N	PC-id_4998622	318.391	QWLSQRMGIVDHDO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050186
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/C)C#N	PC-id_6244264	318.391	QWLSQRMGIVDHDO-QHHAFSJGSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050187
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccoc1	PC-id_25444259	318.391	VIUBPXOXBSUYEQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-050188
CCCS(=O)(=O)N1CCc2nn(c(=O)n2CC1)CCOC	PC-id_91910667,MCULE-5705691956,EMOLS-id_50585721	318.392	KEAHTAGPLNAWLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050189
FC1CCc2c(C1NCc1nnc3n1CCCCC3)cnn2C	EMOLS-id_319057961	318.392	XMGRBQXGVWTFHT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-050190
c1(C(=O)Nc2sc(c(C)n2)C(=O)C)c2CCCCCc2[nH]n1	EMOLS-id_323255735,MCULE-7788328563	318.394	AGRQAFJNGHGNNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050191
c1(C(=O)NCc2c3CCCCCc3[nH]n2)cnc(C(=O)C)s1	ZINC22_584892994,MCULE-5869159155,EMOLS-id_177425487	318.394	QGUCTQATXYRKTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050192
c1(NC(=O)c2ccn(C)n2)sc2c(CCCCC2)c1C(=O)N	BindingDB_PC-id_1222859,ZINC22_998640,BindingDB-id_197485,SPECS-id_AK-968/13410696,ChEMBL-DNDi_CHEMBL1484968,EMOLS-id_4002799,CoCoCo_6921145,MCULE-8730054908,CHEMBL1484968,PC-id_1222859	318.394	VUHKZDIOVFRMJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050193
c1(NC(=O)c2ccnn2C)sc2c(CCCCC2)c1C(=O)N	MCULE-8726186294,CoCoCo_1052650,PC-id_6469937,EMOLS-id_2326117,TIMTEC509821,ZINC22_6741368	318.394	VSLRGKBJKXEXPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050194
Cc1c(CSc2nnc3n2CCCCC3)cccc1[N+](=O)[O-]	PC-id_51083210,ZINC22_42129663,MCULE-3269839423,EMOLS-id_33307962	318.394	DTASCYZVVOVLSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050195
Cc1nc2c(s1)N(CCCC2)C(=O)c1cn2c(n1)COCC2	EMOLS-id_318855427	318.394	ODKNSPYHZVWWOM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-050196
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc2n1CCOC2	EMOLS-id_318911731	318.394	SMXZRENGSRXAHT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-050197
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnn2c1OCCC2	EMOLS-id_319795600	318.394	IKBDHNVPMWZWDB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-050198
CCn1nc(ccc1=O)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319243239	318.394	DLSXXYYWYZEZPY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050199
CCNc1nc2c(s1)C(=O)C(CCC2)C(=O)c1cncn1C	PC-id_91194946	318.394	GGOKYKNEROSINT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050200
CC(=O)c1ccc(C(=O)NCc2nnc3n2CCCCC3)s1	PC-id_45805024,CoCoCo_4625766,ZINC22_40489059,MCULE-7658124076,EMOLS-id_29633017	318.394	MBMRAALQFDXSTQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050201
Cn1ncc(c1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_25636929,CoCoCo_4088830,MCULE-8636420085,PC-id_9163659	318.394	PLHNOSFKTAGCHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050202
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1cc[nH]c1	EMOLS-id_313791541,ZINC22_1565555140	318.394	UAZMUPJAZUWXIF-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-050203
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1cscn1	EMOLS-id_313812769	318.394	UBVJONZNWWNXPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050204
CNC(=O)C[C@H]1CN(C(=O)c2cscn2)Cc2cccn2C1	ZINC22_585099197	318.394	UBVJONZNWWNXPQ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050205
CNC(=O)C[C@@H]1CN(C(=O)c2cscn2)Cc2cccn2C1	ZINC22_585099198	318.394	UBVJONZNWWNXPQ-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-050206
COCc1ccnc(n1)NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318835965	318.394	ZKZSATUYWZYJMS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050207
COCc1nccc(n1)NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318127474	318.394	NFFLCVZAYRRNST-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050208
N#CC1(C(=O)N2CCc3nc(C(=O)N)sc3CC2)CCCC1	EMOLS-id_313791286,ZINC22_1565554098	318.394	KAYZBNLIHNMVKX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050209
O=C(c1ccc(=O)n(n1)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644552	318.394	YTKHDDCAENLXQX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050210
O=C(c1ncn(c(=O)c1)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_319238407	318.394	WQEHYOJHLPPDHP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050211
O=C(c1nn2c(c1)OCCC2)Nc1nc2c(s1)CCCCC2	EMOLS-id_100782230	318.394	MCHQJUNRYKFCKD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-050212
O=C(c1nnc(o1)C1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_316676657	318.394	VJCRKHVGDAAKMD-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-050213
O=C(CSc1nnc2n1CCCCC2)Nc1ccc(O)cc1	ZINC22_57881444,PC-id_71943923,EMOLS-id_44492417,MCULE-4131593423	318.394	SDOVQBHSPCBOTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050214
O[C@@H]1CC[C@H]1n1nnc(c1)C(=O)N1CCCc2c(C1)ccs2	MCULE-2017074874,EMOLS-id_316566030	318.394	MHKILHNSZUWQNZ-CHWSQXEVSA-N	00001000100000000101100000000010000000000000000000000000	31-01-050215
O=C(N1CCCc2c(C1)cco2)NCc1nnc(s1)C1CC1	EMOLS-id_101835217	318.394	FQAPRYNQFVBHRY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-050216
O=S1(=O)Cc2ccccc2N1Cc1nnc2n1CCCCC2	EMOLS-id_99105275,MCULE-5135312705,ZINC22_432671022	318.394	OJXYQXZPBUCKPD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-050217
O=S1(=O)CCCCn2c1nc(n2)N[C@@H]1CCc2c1cccc2	PC-id_142602368	318.394	SEQCOHWJWBDMCS-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-050218
S(c1n2CCCCCc2nn1)c1ncc(cc1)C(=O)OCC	PC-id_31537094	318.394	GCZBDJHCEZGEPL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-050219
Cc1nc2c(s1)N(CCCC2)C(=O)c1nn2c(n1)NCCC2	EMOLS-id_319273807	318.397	HWSBAYSRZVBQDG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-050220
CSc1ncc(cn1)C(=O)NCc1nnc2CCCCCn12	PC-id_91778989,EMOLS-id_55656846,MCULE-7426695097,ZINC22_220472398	318.397	HGRJJFRVVFAQKE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050221
Nc1cc2n(n1)CCCN(C2)C(=O)Nc1sc2c(n1)CCC2	EMOLS-id_318962725	318.397	SQEFWUZATWNYJL-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-050222
O=C(N1CCc2c(C1)ccs2)NC1CCn2c(CC1)nnn2	EMOLS-id_102017044	318.397	TUTDZVKTNHYPQO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-050223
O=C(N1CCCn2c(C1)cc(n2)N)Nc1scnc1C1CC1	EMOLS-id_318957566	318.397	UBGQKDARPBVZIY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-050224
O=C(N1CCn2c(C1)ncn2)Nc1nc2c(s1)CCCCC2	EMOLS-id_100087800	318.397	IYYKGASGKORCCV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-050225
C/C/1=C/CCCC(=O)COC/C(=C/c2oc(COC1)c(C)c2)/C	PC-id_102250219	318.407	JZXQCVCRQLUGJT-XIGXGDJXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-050226
CC(=C)[C@H]1c2cc(c(o2)[C@@H](O)[C@@H](CCCC(=O)[C@H]1O)C(=C)C)C	PC-id_102250221	318.407	JARQFWKZQWJVEL-XDKFSHSGSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050227
c1(NC(=O)Cc2ccc(c(C)c2)F)sc2c(CCCCC2)n1	EMOLS-id_334606192,MCULE-6287846674	318.409	CAJOHFFUVCVDNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050228
CC(c1ccc(c2-c(c1)c(C)cc2C=C1C=CC=C(C1=O)O)C)C	PC-id_101554682	318.409	LJINVZHQYUTXFX-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-050229
CC(c1ccc(c2-c(c1)c(C)cc2C=C1C=CC(=O)C(=C1)O)C)C	PC-id_101554680	318.409	VRZJTOUGYBGYEL-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-050230
CCN1CCCCc2cc(sc12)C(=O)Nc1ccccc1F	EMOLS-id_97044586	318.409	FQKUGUUFQWJMNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050231
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)Cc1ccccc1	PC-id_101676364	318.409	OPLMVLCLBUNPRI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050232
Fc1ccc(cc1)CCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319347526	318.409	MHKUITQUZIYCAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050233
Fc1cccc(c1)C(C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319903183,MCULE-6187863567	318.409	CUQNBAMCFZKAAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050234
O=C(C(N1CCCc2c(C1)ccs2)C)Nc1cccc(c1)F	EMOLS-id_318060800	318.409	BYKTXPOLVUWYIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050235
O=C(CN1CCCc2c(C1)ccs2)NCc1ccc(cc1)F	EMOLS-id_318066904	318.409	AHTPBVDJODEZIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050236
O=C(N1CCCCc2c1sc(n2)C)CCc1ccccc1F	MCULE-1468201378,EMOLS-id_320307786	318.409	ALXCULBTEZOMHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050237
O(C(=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C)c1ccccc1	PC-id_20589319	318.409	IQHKCGFYJBCQGH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050238
s1c2c(CCCCC2)c(c1N)C(=O)NCc1ccc(F)cc1	PC-id_20109801	318.409	INMFHVREZUUXDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050239
s1c2c(CCCCC2)c(c1N)C(=O)NCc1c(F)cccc1	PC-id_20109800	318.409	CMNWIWNEUROZGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050240
s1c2CCCCCc2nc1NC(=O)CCc1c(F)cccc1	PC-id_30255046	318.409	DYGZSIUXFMMFOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050241
s1c2CCCCCCc2nc1NC(=O)c1c(ccc(F)c1)C	PC-id_56022107	318.409	LJNKFCGJAVJBNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050242
c1(C(c2ccccc2)C#Cc2ccccc2)c2-c(cc1)ccccc2	PC-id_85860014	318.41	MWOYLRACCURSTC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050243
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O=C([C@@H]1CCOC1)N1CCc2ncc(CN3CCCC3)n2CC1	ZINC22_1614935226	318.414	QYNNBNYNTPIQCB-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050333
O=C(Cn1cc2c(n1)CCCNC2=O)NC1CCCCCCC1	ZINC22_585123160,EMOLS-id_177342063,MCULE-3903636211	318.414	YLZYOYUYTRPOSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050334
O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC[C@@H]2CCC[C@H]12	PC-id_97080621,ZINC22_89819253	318.414	LDCKWLYNGJGDEU-KBPBESRZSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050335
O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC[C@H]2CCC[C@H]12	ZINC22_89819251,PC-id_97080620	318.414	LDCKWLYNGJGDEU-KGLIPLIRSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050336
O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC[C@H]2CCC[C@@H]12	ZINC22_89819254,PC-id_97080622	318.414	LDCKWLYNGJGDEU-ZIAGYGMSSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050337
O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC[C@@H]2CCC[C@@H]12	ZINC22_89819256,PC-id_97080623	318.414	LDCKWLYNGJGDEU-UONOGXRCSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050338
O=C(N1C2C(CCC2)CCC1)Cn1nc2n(CCCCC2)c1=O	PC-id_71929596,EMOLS-id_45653366,MCULE-2369545895	318.414	LDCKWLYNGJGDEU-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050339
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)C1CN(C1)C1COCC1	EMOLS-id_316497387	318.414	GYYRUOUDAQDBBG-UHFFFAOYSA-N	00001010100000000101100000000010000000000000000000000000	31-01-050340
O=C(N1CCCC1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	ZINC22_2055713330	318.414	BBUKVYCRBBWACS-HNNXBMFYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-050341
O=C(N1CCCC1)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_2055713331	318.414	BBUKVYCRBBWACS-OAHLLOKOSA-N	00100010100000000101000000000010000000000000000000000000	31-01-050342
O=C(N1CCCC1)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_313724890	318.414	BBUKVYCRBBWACS-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-050343
O=C(N1CCCc2c(C1)cnn2C)C1CC(=O)N(C1)C(C)(C)C	EMOLS-id_101669365	318.414	UJVDAQOLCSLGNK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050344
O=C(N1CCCc2c(C1)cnn2C)C1CN(C1)C1CCOCC1	EMOLS-id_316723006	318.414	QOXPYMCNNVKUCB-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-050345
O=C(N1CCCc2c(C1)cnn2C)CN1CCCCCCC1=O	EMOLS-id_101670088	318.414	GYPBKPYCCPTLDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050346
O=C(N1CCCc2c(C1)cnn2C)NC1CCCC2C1CCO2	EMOLS-id_101721627	318.414	KWBDNGPYEQFLHW-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050347
O=C(N1CCC[C@H]2[C@@H]1C([C@H]2O)(C)C)C1CCn2c(CC1)nnc2	EMOLS-id_319759890	318.414	ILYGMXMHPWTBRE-IQVOKHDLSA-N	00001000100010000101001000000010000000000000000000000000	31-01-050348
O=C(N1CCOCC(C1)C1CCC1)C1CCn2c(CC1)nnc2	EMOLS-id_319671095	318.414	DDBUQGISNBSQOL-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-050349
c1ccc(C(CN2CCc3nncn3CC2)c2ccccc2)cc1	CoCoCo_1622552,ZINC22_15005964,CoCoCo_1622551,MCULE-8989979224,PC-id_26361397,EMOLS-id_20733901	318.415	MNAAQHGWSSTPQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050350
Cc1ccccc1c1ccc(CN2CCc3nncn3CC2)cc1	PC-id_28956575,ZINC22_20453792,CoCoCo_1243071,MCULE-2408078172,EMOLS-id_20480227,CoCoCo_1243070	318.415	VUMQQHLEUGODAB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-050351
Cn1ncc2c1CCCN(Cc1cccc(c3ccccn3)c1)C2	ZINC22_414469478	318.415	GHZSQZIASCPAHB-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-050352
N1(CCC(Nc2nc3-c(n2)ccccc3)CC1)Cc1ccccc1	PC-id_85672374	318.415	LFGBEDLZTHOAJT-UHFFFAOYSA-N	00000010100010110111000000000010000000000000000000000000	31-01-050353
N#CC(=Cc1ccc2-c1cccc(c2)C=C1SC=CS1)C#N	PC-id_100950033	318.415	DGEZFDKAVRNTTE-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-050354
N#CC(=Cc1cccc2-c(c1)ccc2C=C1SC=CS1)C#N	PC-id_100950028	318.415	BQJYGMMSGGOXEL-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-050355
c1(C(=O)N[C@@H]2CN3[C@H](CN(CC3)C)C2)nnc2CCCCCn12	PC-id_56745863,EMOLS-id_36582582,MCULE-3224543916,ZINC22_67769959	318.417	JLAYBKIPKGIWNF-STQMWFEESA-N	00000010100010000101000000000110000000000000000000000000	31-01-050356
CC1CC2C(N1C(=O)NC1CCn3c(CC1)nnn3)CCCC2	EMOLS-id_102165109	318.417	WZNIPRYCVMUYDC-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050357
CC1CC2N(C1)CC(CC2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319539191	318.417	LWDFTAGWLSPVAH-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050358
CC1CN(CC1NC(=O)N1CCCn2c(C1)cc(n2)N)C1CC1	MCULE-3256458351,EMOLS-id_320037903	318.417	RIUPXMRCSBTOGT-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-050359
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc2c(s1)[nH]nc2	MCULE-7987590578,EMOLS-id_320264491	318.417	UQROITVJUXAEMX-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-050360
Cc1nn(CCO)c(C)c1CNCc1nnc2n1CCCCC2	PC-id_47611278,EMOLS-id_36932693,MCULE-5912414766,ZINC22_71825181	318.417	NEDDXDNUVYZXPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050361
CCc1noc(n1)C(NC(c1nnc2n1CCCCC2)CC)C	EMOLS-id_317975807	318.417	WHUALRMVJZYWPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050362
CC(c1onc(n1)C(C)(C)C)NCc1nnc2n1CCCCC2	EMOLS-id_98882332	318.417	JCCZBOFUASWRPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050363
C=CCC1(CCCCC1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102106964	318.417	PGBFZOUPUKMDQB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050364
CC(C)Cc1nc(CN(C)Cc2cc3CNCCCn3n2)no1	PC-id_56882591,ZINC22_72122480,MCULE-3933975518,EMOLS-id_43059294	318.417	XYDJGNQCPSINLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050365
C=CCN1CCC(CC1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319567082	318.417	FRYCGEQQBDPNRZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050366
CN1CC2(C(C1)(C)CN(C2)C(=O)C1CCn2c(CC1)nnn2)C	EMOLS-id_279020474	318.417	WRKNTLDCNJZLPM-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-050367
CN=C(NC1CC2OC1CC2)NCc1nnc2n1CCCCC2	PC-id_109754921	318.417	GJQYGIMXJRZXBR-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050368
COc1c(CN[C@H](C)c2nnc3n2CCCCC3)c(C)nn1C	PC-id_94821917,ZINC22_58391815	318.417	RWGUSUCGKKZECQ-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050369
O=C(N(CC1CC1)CC1CCC1)NC1CCc2n(CC1)nnn2	EMOLS-id_102169024	318.417	PVZUFDGXFYREND-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-050391
COc1c(CN[C@@H](C)c2nnc3n2CCCCC3)c(C)nn1C	ZINC22_58391814,PC-id_94821916	318.417	RWGUSUCGKKZECQ-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050370
COc1n(C)nc(c1CNC(c1nnc2n1CCCCC2)C)C	PC-id_51104933,MCULE-4954435133,EMOLS-id_33322325	318.417	RWGUSUCGKKZECQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050371
COCc1nnc2CC(C)N(Cc3cnn(c3)C(C)C)CCn12	EMOLS-id_313823785	318.417	LQUZJKBZKKMWHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050372
COCc1nnc2n1CCN(Cc1cnn(C(C)C)c1)[C@H](C)C2	ZINC22_585097554	318.417	LQUZJKBZKKMWHS-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050373
COCc1nnc2n1CCN(Cc1cnn(C(C)C)c1)[C@@H](C)C2	ZINC22_585097555	318.417	LQUZJKBZKKMWHS-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050374
O=C(C1CCCN1C1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102182391	318.417	ILYDUAJEQJEENT-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-050375
O=C(C1CN(C1)C1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102175415	318.417	VNLZRBFGUNXIEP-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-050376
O=C(N1CC(C1)C1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102161338	318.417	VDKKXYLHEBDFPS-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-050377
O=C(N1CCC(C1)C1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102107141	318.417	GMTXQBCLMNNWID-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-050378
O=C(N1CCCC1C1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102158944	318.417	QXOBOGIZMGCFSB-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-050379
O=C(N1CCCn2c(C1)cc(n2)N)NC1CCN2C(C1)CCC2	EMOLS-id_319360998	318.417	MPERZSCKGHTXNG-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050380
O=C(N1CCCn2c(C1)cc(n2)N)NCC1CCN(C1)C1CC1	EMOLS-id_319371237	318.417	ZNAJCTLAHACURF-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-050381
O=C(N1CCN2CC1CC2)NCCc1nnc2n1CCCCC2	EMOLS-id_319625165	318.417	UWUFKOKELZLCMZ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050382
O=C(NC1CC1C1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_303463459	318.417	MOLSLMXFRULFCA-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-050383
O=C(NC1CC2N(C1)CCN(C2)C)c1n2CCCCCc2nn1	PC-id_76399616	318.417	JLAYBKIPKGIWNF-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050384
O=C(NC1CCC2C(C1)CCC2)NC1CCn2c(CC1)nnn2	EMOLS-id_102181200	318.417	WYYNWWXEMXLPMJ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050385
O=C(NC1CCn2c(CC1)nnn2)NCC1(CCC1)C1CCC1	EMOLS-id_102158710	318.417	KSNAWEHNGKWWNG-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-050386
O=C(NC1CCn2c(CC1)nnn2)NCCC1CC2CC1CC2	EMOLS-id_102170168	318.417	BFFIDWCHKRWIBD-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050387
O=C(NC1CCn2c(CC1)nnn2)NCC(C1=CCCC1)(C)C	EMOLS-id_102158713	318.417	LRYBZIAUPKMNLL-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-050388
O=C(NC1CCn2c(CC1)nnn2)NCCC1=CCCCCC1	EMOLS-id_102170246	318.417	SIHURKWKPQRQML-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-050389
O=C(NC1CCN(C1)C1CC1)NCc1nnc2n1CCCCC2	EMOLS-id_99259621	318.417	PVJBEWPLBZPJGO-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-050390
O=C(NC(C1CC2CC1CC2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102162811	318.417	JVOUEANNSTUXSG-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-050392
O=C(NC(C1CCC1)C1CCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102178205	318.417	RWKASYGNXMBUDU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-050393
O=C(N[C@@H]1C[C@H]1C1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102174461	318.417	MOLSLMXFRULFCA-KFTPUPIBSA-N	00100000100010000101100000000010000000000000000000000000	31-01-050394
s1c2CCCCCc2c(c1NC(=O)c1nc(sc1)N)C#N	PC-id_62787402	318.417	RITRTXJLHHRGFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050395
Nc1nc(Sc2nnc3n2CCCCC3)c2c(n1)scc2	PC-id_103333851	318.42	DKPXSTPHRJFZLT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-050396
CCCCc1cc(c2-c1ccc(cc2)CS)OC(=O)OCC	SCHEMBL8529488	318.43	DQZYGCVOTVSXAF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050397
CCCCCc1cc(c2-c1cc(S)ccc2)OC(=O)OCC	PC-id_17776071,SCHEMBL8334859	318.43	GYXLDIQQECSVMT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050398
CCOC(=O)Oc1cc(c2-c1ccc(cc2)CS)CC(C)C	SCHEMBL8529053	318.43	ZJDDMRCESROIHS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050399
CCOC(=O)Oc1cc(c2-c1cccc(c2)S)CCC(C)C	PC-id_17776054,SCHEMBL8471432	318.43	KLLVJXUDJXNKRR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050400
S(=O)(=O)(O)c1c2-c(c(C(CCC=C(C)C)C)c1)ccccc2	PC-id_13488765	318.43	BERWHTUQBBDGAR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050401
O=C(c1c(c(C[N+](C)(C)C)c2-c1ccccc2)C)c1ccccc1	PC-id_10939196	318.432	WLMGVHKCJNOFGF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050402
c1(cc2c(CCCCC2)s1)C(=O)N[C@@H]1CC=CC[C@H]1C(=O)N	EMOLS-id_177372273,MCULE-9665496276,ZINC22_534581857,PC-id_122557483	318.434	FWENPCCEMHCZOJ-CHWSQXEVSA-N	00000000100011000100000000000010000000000000000000000000	31-01-050403
Cc1cc(CN(C)C(=O)c2cc3c(s2)CCCCCC3)no1	PC-id_38880777,EMOLS-id_24963403,CoCoCo_4815963,ZINC22_31658332,MCULE-7935011647	318.434	HYOBCPUPVCKGEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050404
Cc1cnc([C@@H](C)NC(=O)c2cc3c(s2)CCCCCC3)o1	ZINC22_679352954	318.434	NCMJHYMHYOTPSM-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050405
Cc1cnc([C@H](C)NC(=O)c2cc3c(s2)CCCCCC3)o1	ZINC22_679352956	318.434	NCMJHYMHYOTPSM-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050406
Cc1cnc(o1)C(C)NC(=O)c1cc2c(s1)CCCCCC2	MCULE-3603852606,EMOLS-id_316856489,PC-id_136521455	318.434	NCMJHYMHYOTPSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050407
Cc1noc(C)c1CN(C)C(=O)c1cc2c(s1)CCCCC2	PC-id_71897256,MCULE-6145520726,EMOLS-id_44527404,ZINC22_46407981	318.434	KVWOCOMOKXMNGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050408
Cc1oc(c(n1)CCNC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_98177029	318.434	YAMLHKHSNMRZCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050409
CCCC1CNCCN1S(=O)(=O)c1ccc2-c1ccccc2	PC-id_141326656	318.434	HDTNTDMLDUJNPV-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-050410
CNC(=O)C(NC(=O)c1cc2c(s1)CC=CC=C2)CC(C)C	PC-id_143506823	318.434	GDVBFAAIRIFXPV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-050411
COCCC1CN(Cc2cccn2C1)C(=O)Cc1ccsc1	EMOLS-id_313836841	318.434	GGBMFPBGOYDJOQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050412
COCC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2cccn2C1	ZINC22_585095111	318.434	GGBMFPBGOYDJOQ-HNNXBMFYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050413
COCC[C@H]1CN(C(=O)Cc2ccsc2)Cc2cccn2C1	ZINC22_585095112	318.434	GGBMFPBGOYDJOQ-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050414
N#CC1(CCOCC1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110405559	318.434	XTFBDRXETIBSMK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-050415
N#Cc1c(NC(=O)C2CCCCO2)sc2c1CCCCCC2	EMOLS-id_100936983	318.434	FBOIJEBCPMCINC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-050416
N#Cc1c(NC(=O)C2CCOCC2)sc2c1CCCCCC2	EMOLS-id_110431648	318.434	CDQWMZBHTVFONG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-050417
N#Cc1c(NC(=O)C2COC(C2)C)sc2c1CCCCCC2	EMOLS-id_111866083	318.434	BFRYFFOIAOTVSM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-050418
N#Cc1c(NC(=O)CC2CCCO2)sc2c1CCCCCC2	EMOLS-id_110431617	318.434	DURFUGFRFKPKRS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-050419
N#Cc1c(sc2c1CCCCCC2)NC(=O)C1(C)CCCO1	EMOLS-id_111949555	318.434	RQLOUKSOZPFHIZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-050420
N#Cc1c(sc2c1CCCCCC2)NC(=O)C1(C)CCOC1	EMOLS-id_111068072	318.434	AAEYAJZJWYGSRF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-050421
NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)c1cc2c(s1)CCCCC2	ZINC22_1565507244	318.434	FWENPCCEMHCZOJ-STQMWFEESA-N	00000000100011000100000000000010000000000000000000000000	31-01-050422
O=C(C1(CC1)C(=O)C1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101195056	318.434	ZYWRHHFBYJBNMN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050423
O=C(C1C[C@@H]2C[C@H]1C(=O)C2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101531529	318.434	WNMJLFQIJWLIOY-WIKAKEFZSA-N	00000010100000000101000000000110000000000000000000000000	31-01-050424
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCC=CC1	PC-id_46656954	318.434	VKNIJBQXYHBCBB-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-050425
s1c2CCCCCc2cc1C(=O)NNC(=O)CC1CCC=C1	PC-id_24554094	318.434	BWERRJFLVQETSH-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-050426
s1c2c(CCCCC2)c(c1NC(=O)C1CCC=CC1)C(=O)N	PC-id_60387849	318.434	GYMUFBDRSXVYIO-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-050427
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1CCC=CC1)C(=O)N	PC-id_52894697	318.434	GYMUFBDRSXVYIO-NSHDSACASA-N	00000000100011000100000000000010000000000000000000000000	31-01-050428
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1CCC=CC1)C(=O)N	PC-id_52894698	318.434	GYMUFBDRSXVYIO-LLVKDONJSA-N	00000000100011000100000000000010000000000000000000000000	31-01-050429
s1c2CCCCCCc2cc1C(=O)NNC(=O)C=CC=CC	PC-id_85009910	318.434	NLYGCSOALHCJNL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050430
s1c2CCCCCCc2cc1C(=O)NNC(=O)/C=C/C=C/C	PC-id_9441663	318.434	NLYGCSOALHCJNL-PDGXAJGZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050431
c12N(CCCCc1cc(C(=O)NCc1c(C)n[nH]c1C)s2)C	MCULE-7082098917,EMOLS-id_97015023	318.437	GZPHUBMROYFVSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050432
c12N(CCCCc1cc(C(=O)NCc1cn[nH]c1C)s2)CC	MCULE-5847328511,EMOLS-id_97028469	318.437	KLMNZXRDEODWSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050433
c1cc(CN2CCCn3nnc(COCC4CC4)c3C2)cs1	PC-id_97381498,ZINC22_96058841,EMOLS-id_46147979	318.437	DXYHTTFZKIDFQW-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-050434
c1(cc(nn1C)CC)C(=O)Nc1sc2c(CCCCCC2)n1	MCULE-9845849089,EMOLS-id_30436515,SYN-20015630,CoCoCo_494081,ZINC22_19522178,PC-id_46969957	318.437	RXZABANITWKGQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050435
c1(CC(=O)NCc2c3CCCCCc3[nH]n2)c(C)nc(C)s1	EMOLS-id_177399987,MCULE-6559743751,ZINC22_584889740	318.437	RKYAXNAMAIVTJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050436
c1(C(=O)Nc2scc(C(C)(C)C)n2)c2CCCCCc2[nH]n1	EMOLS-id_323251903,MCULE-3032042457	318.437	YRORETUKVLVVHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050437
c1csc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)n1	PC-id_97463509,ZINC22_96189094	318.437	ZMASHAWQPYUTIQ-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050438
c1csc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)n1	PC-id_97463510,ZINC22_96189095	318.437	ZMASHAWQPYUTIQ-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050439
c1csc(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)n1	PC-id_97389183,ZINC22_96066848	318.437	KEJUVKJWCKDFNO-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050440
c1csc(CN2Cc3nccn3C[C@H](COCC3CC3)C2)n1	PC-id_97389184,ZINC22_96066849	318.437	KEJUVKJWCKDFNO-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050441
c1csc(CN2CCCn3cnc(COCC4CC4)c3C2)n1	EMOLS-id_46148327,CHEMBL3552416,PC-id_97381671,ZINC22_96059018	318.437	SHCYUTLXUFOSBX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050442
c1csc(CN2CCCn3nnc(COCC4CC4)c3C2)c1	EMOLS-id_44369500,PC-id_97519065,ZINC22_96258975	318.437	VQPPSCPHOJJRRF-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-050443
c1(NC(=O)CCCn2ccnc2)sc2c(CCCCCC2)n1	MCULE-1418455962,SYN-20043667,CoCoCo_496434,PC-id_46971393,EMOLS-id_30438863,ZINC22_19403596	318.437	RYHWGQMMWCVIKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050444
c1(sc2c(CCCCC2)n1)NC(=O)c1cc([nH]n1)CC(C)C	EMOLS-id_323379398,EMOLS-id_323262946,MCULE-1579429580	318.437	VVIZSICDADSWHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050445
Cc1ccc(CN2CCc3nn(CC4CC4)c(=O)n3CC2)s1	PC-id_91922455,MCULE-8566097227,EMOLS-id_50590045	318.437	GLLHBIKJMUPXAS-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-050446
Cc1c(CCC(=O)Nc2sc3c(CCCCC3)n2)c(C)[nH]n1	MCULE-7562309354,EMOLS-id_323452331	318.437	PJUJFDIGCZYUKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050447
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1C	MCULE-1140856619,PC-id_7876996,EMOLS-id_3675872,CoCoCo_3081752,ZINC22_6097597	318.437	HPYGXOFAFLDOFT-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-050448
Cc1cc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)c(C)s1	ZINC22_29897851	318.437	USKNFDPTPBOSPV-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050449
Cc1cc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)c(C)s1	ZINC22_29897855	318.437	USKNFDPTPBOSPV-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-050450
Cc1cc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)sc1C	ZINC22_29893520	318.437	FDJUBNYWVZEJBL-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050451
Cc1cc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)sc1C	ZINC22_29893524	318.437	FDJUBNYWVZEJBL-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-050452
Cc1cc(c(s1)C)C(=O)NC(c1nnc2n1CCCCC2)C	EMOLS-id_45749415,MCULE-6430245182,PC-id_71897667	318.437	USKNFDPTPBOSPV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050453
Cc1ccsc1CN1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922456,MCULE-6461086456,EMOLS-id_50590047	318.437	JOKNNFWDFMZYST-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-050454
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)NCc1cccs1)C	MCULE-1820128378,EMOLS-id_320252747	318.437	ZVOONVGSFCEKOS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050455
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(s1)C(C)(C)C	EMOLS-id_319166398	318.437	PUSMULKJKFSSJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050456
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1scnc1C(C)(C)C	EMOLS-id_319459565	318.437	YFYYMIWZSDXMCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050457
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1sc(nc1C)C(C)C	EMOLS-id_319914067,MCULE-4041187777	318.437	XFRQPMGGSFDITG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050458
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCc1csc(n1)C	MCULE-6939628782,EMOLS-id_319952285	318.437	RXUNIZQFVPTZGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050459
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCc1scc(n1)C	EMOLS-id_319695743	318.437	FNFAZONTXCMXTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050460
CC1CN(CC(=O)NC(c2cccs2)C)Cc2c(C1)[nH]nc2	EMOLS-id_318956829	318.437	GJSIRMZWSYWYKW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050461
CC1CN(CC(=O)N(Cc2cccs2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319272677	318.437	ZLSPUHVPKYJTQJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050462
CC1CN(CC(=O)NCc2sccc2C)Cc2c(C1)[nH]nc2	EMOLS-id_319985684,MCULE-3530532616	318.437	JRWZGRKEFWJYGR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050463
CC1CN(CC(=O)NCCc2cccs2)Cc2c(C1)[nH]nc2	EMOLS-id_319040624	318.437	KOFIZGCNZFXVGE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050464
Cc1cnc(s1)C(NC(=O)c1cnc2n1CCCCC2)(C)C	EMOLS-id_318632512	318.437	FNGRHEJYUBCRER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050465
Cc1csc(n1)C(NC(=O)c1cnc2n1CCCCC2)(C)C	EMOLS-id_318740196	318.437	MRNAXPLKIDCLJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050466
Cc1nc2c(s1)N(CCCC2)C(=O)c1cn(nc1C)C(C)C	EMOLS-id_318969728	318.437	ZWJCNGXIPZGRMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050467
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnn(c1)C(C)(C)C	EMOLS-id_319768465	318.437	IBQBHZYFYACWET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050468
Cc1nc2c(s1)N(CCCC2)C(=O)c1[nH]nc(c1)C(C)(C)C	MCULE-1341980498,EMOLS-id_320306226	318.437	IGUZHKXMRSGYHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050469
Cc1nc2c(s1)N(CCCC2)C(=O)c1nn(c(c1)C(C)C)C	EMOLS-id_318817001	318.437	LTDNLBNIGUTBEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050470
Cc1nc2c(s1)N(CCCC2)C(=O)c1nn(c(c1)C)C(C)C	EMOLS-id_319247256	318.437	HNRWQGCCXJINSK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050471
Cc1nc(CN2CCCn3cnc(COCC=C)c3C2)cs1	PC-id_97520032,ZINC22_96259952,EMOLS-id_44371440	318.437	MTPYUSFTFFBCSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050472
Cc1nc(CN2CC(COCC=C)Cn3nccc3C2)cs1	EMOLS-id_44326941	318.437	NXOIFMBPZHMYOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050473
Cc1ncsc1CN1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_248018954	318.437	IIINAEAVPIHPRI-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050474
Cc1ncsc1CN1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_248018958	318.437	IIINAEAVPIHPRI-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050475
Cc1ncsc1CN1CC(Cn2nccc2C1)OCC1CC1	EMOLS-id_50020828	318.437	IIINAEAVPIHPRI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050476
Cc1[nH]nc(n1)CCNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_98640966	318.437	YSLJSYZHOWCMOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050477
Cc1nn(C)c(C)c1CC(=O)Nc1nc2c(s1)CCCCC2	PC-id_24611851,EMOLS-id_19945721,MCULE-8635995609,ZINC22_22326150,CoCoCo_4546259	318.437	SQKLGRDOLBARGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050478
Cc1sc2c(n1)CCCCN2C(=O)CC(n1ccc(n1)C)C	EMOLS-id_318880324	318.437	CAGQBBMIBGOGKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050479
Cc1sc2c(n1)CCCCN2C(=O)C(Cn1ccc(n1)C)C	EMOLS-id_319170015	318.437	LMMKJOBDBZBNHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050480
Cc1sc2c(n1)CCCCN2C(=O)CCn1nc(cc1C)C	EMOLS-id_320004674,MCULE-2069370481	318.437	YZNRWFXLMJFSDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050481
CCc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)s1	PC-id_93866914,ZINC22_42496921	318.437	RNTVLARGVAVSST-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-050482
CCc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)s1	PC-id_93866915,ZINC22_42496922	318.437	RNTVLARGVAVSST-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050483
CCc1ccc(s1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318016860	318.437	BDECYUAXQULAII-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050484
CCc1ccc(s1)C(=O)NC(c1nnc2n1CCCCC2)C	PC-id_53504040,MCULE-5324591698,EMOLS-id_35706088	318.437	RNTVLARGVAVSST-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050485
CCc1cnc([nH]1)CC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_316618637	318.437	VGBPHSQQVXNMRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050486
CCc1csc(n1)C(NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_278926028	318.437	VWCNGTSUNWPGMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050487
CC(Cc1cccs1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319870080,MCULE-8382220524	318.437	YAVWPWMFNAWYAG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050488
CC(Cc1cccs1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318183711	318.437	GVLIHZZKVDVTRE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050489
CCC(c1cccs1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318389677	318.437	FIDPBBJBFBTYTE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050490
CCCc1nc(c(s1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101670061	318.437	QDJWMZXCKHRNRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050491
CCCc1nc(c(s1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319558104	318.437	SXIMGPGZTRRAAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050492
CC(Cc1n[nH]c(c1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_320106883,MCULE-5699147053	318.437	UJEVQSDASMSHFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050493
CC(Cc1scc(n1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101671301	318.437	GAFNUBGNVNTJPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050494
CC(C)Cc1ncc(C(=O)N2CCCc3c(cnn3C)C2)s1	PC-id_136565397,MCULE-8169207195,EMOLS-id_316946362,ZINC22_822605728	318.437	YLSBDLPMQUFPMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050495
CC(C)(C)n1cc(C(=O)Nc2nc3c(s2)CCCCC3)cn1	PC-id_47053230,EMOLS-id_32026016,ZINC22_48250494,MCULE-8208369491	318.437	QLGJJGGOPAGBDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050496
CC(Cn1ccc(n1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319123713	318.437	YAIFVBKTLPDDGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050497
CCCn1nc(c(c1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319711402	318.437	NDNXEGJACWOTEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050498
CC(C)n1nccc1C(=O)Nc1nc2c(s1)CCCCCC2	EMOLS-id_313195790,MCULE-5345575168,ZINC22_161837330	318.437	TZXNQNAEMRTWTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050499
CC(C)NC(=O)C1CN(Cc2cccs2)Cc2ccnn2C1	PC-id_118739051,EMOLS-id_44326599	318.437	XVDFHUPJWALGHE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050500
CC(C)NC(=O)C1CN(Cc2ccsc2)Cc2ccnn2C1	PC-id_118745757,EMOLS-id_44326603,CHEMBL3551303	318.437	VPBHZQRHHCYFDN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050501
CC(C)NC(=O)[C@H]1CN(Cc2cccs2)Cc2ccnn2C1	PC-id_97463187,ZINC22_96188756	318.437	XVDFHUPJWALGHE-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050502
CC(C)NC(=O)[C@@H]1CN(Cc2cccs2)Cc2ccnn2C1	ZINC22_96188757,PC-id_97463188	318.437	XVDFHUPJWALGHE-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050503
CC(C)NC(=O)[C@H]1CN(Cc2ccsc2)Cc2ccnn2C1	PC-id_97463191,ZINC22_96188760	318.437	VPBHZQRHHCYFDN-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050504
CC(C)NC(=O)[C@@H]1CN(Cc2ccsc2)Cc2ccnn2C1	ZINC22_96188761,PC-id_97463192	318.437	VPBHZQRHHCYFDN-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050505
C=CCOC[C@@H]1CN(Cc2csc(C)n2)Cc2ccnn2C1	ZINC22_96189014,PC-id_97463433	318.437	NXOIFMBPZHMYOB-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050506
C=CCOC[C@H]1CN(Cc2csc(C)n2)Cc2ccnn2C1	ZINC22_96189015,PC-id_97463434	318.437	NXOIFMBPZHMYOB-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050507
C[C@H](NC(=O)CCc1cccs1)c1nnc2n1CCCCC2	ZINC22_65443592,PC-id_95134021	318.437	JKUDUPALBFBENI-LBPRGKRZSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050508
C[C@@H](NC(=O)CCc1cccs1)c1nnc2n1CCCCC2	ZINC22_65443596,PC-id_95134022	318.437	JKUDUPALBFBENI-GFCCVEGCSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050509
CCn1ccnc1C(NC(=O)N1CCCc2c(C1)ccs2)C	EMOLS-id_318313543	318.437	VCCAGLYFERBQDK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050510
CCn1ncc(c1)C(NC(=O)N1CCCc2c(C1)ccs2)C	EMOLS-id_318314054	318.437	DVGMDEWXRKEXTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050511
CC(NC(=O)C1CCn2c(CC1)nnc2)Cc1ccc(s1)C	EMOLS-id_320070821,MCULE-2547424103	318.437	HWNMDGJOHGXPPF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050512
CC(NC(=O)N1CCCc2c(C1)ccs2)Cc1cnn(c1)C	EMOLS-id_318236178	318.437	NLFRYGOFDKTWOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050513
CC(NC(=O)N1CCCc2c(C1)cnn2C)Cc1cscc1	EMOLS-id_318023320	318.437	DWCCFKJCHJLSOT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050514
Cn1c2c(CN(CCC2)Cc2csc(n2)C2CCCO2)cn1	PC-id_136547531	318.437	GSBCDCYYAMIVEE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-050515
Cn1c(CCC(=O)Nc2sc3c(CCCCCC3)n2)ccn1	ZINC22_133012798,MCULE-4021807754,EMOLS-id_316227647	318.437	BAQKTXLXSLCEAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050516
Cn1ncc2c1CCCN(C2)Cc1cnc(s1)C1CCCO1	MCULE-3924931667,PC-id_139013676,EMOLS-id_320394847	318.437	UJKVLSSQXVKFKY-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-050517
Cn1ncc2c1CCCN(Cc1cnc([C@@H]3CCCO3)s1)C2	ZINC22_414475163	318.437	UJKVLSSQXVKFKY-HNNXBMFYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-050518
Cn1ncc2c1CCCN(Cc1cnc([C@H]3CCCO3)s1)C2	ZINC22_414475165	318.437	UJKVLSSQXVKFKY-OAHLLOKOSA-N	00000010100000000101100000000010000000000000000000000000	31-01-050519
Cn1ncc(c1)C(C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_318709084	318.437	YALBWDXQQWPOPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050520
Cn1nnc(c1)C[C@H](NC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_318774999	318.437	DSLNDSAETHKUHD-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050521
CN(Cc1ccsc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319153437	318.437	DYLJVGPCTUHGHC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050522
CN(Cc1cnc2n1CCN(CC2)C(=O)c1sccc1C)C	CHEMBL3552096,PC-id_97390178	318.437	QBORPUJGHGDHKQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050523
CN(Cc1cnc2n1CCN(CC2)C(=O)Cc1cccs1)C	PC-id_97466951	318.437	CLKZLEKXQGJBOM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050524
CN(C)Cc1cnc2CCN(CCn12)C(=O)Cc1ccsc1	EMOLS-id_44328545,ZINC22_96196807,CHEMBL3554054,PC-id_97466952	318.437	HPNPLNYMZHDRSC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050525
CN(C)CC1CN(Cc2nccn2C1)C(=O)Cc1cccs1	EMOLS-id_46160513	318.437	ZQEZOEWBAUZMJY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050526
CN(C)C[C@H]1CN(C(=O)Cc2cccs2)Cc2nccn2C1	PC-id_97389230,ZINC22_96066896	318.437	ZQEZOEWBAUZMJY-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050527
CN(C)C[C@@H]1CN(C(=O)Cc2cccs2)Cc2nccn2C1	PC-id_97389231,ZINC22_96066897	318.437	ZQEZOEWBAUZMJY-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050528
C(OCC1CN(Cc2nccs2)Cc2ccnn2C1)C1CC1	EMOLS-id_44327023	318.437	ZMASHAWQPYUTIQ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050529
C(OCC1CN(Cc2nccs2)Cc2nccn2C1)C1CC1	EMOLS-id_46160465	318.437	KEJUVKJWCKDFNO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050530
N#CC1(CCC1)CNC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101851240	318.437	VERAUBWTBCOXLL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-050531
N#CC1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101066635	318.437	XWBKAQIALVUVHT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050532
O=C(c1cc2c(s1)CCCCC2)Nc1ncnn1C(C)(C)C	EMOLS-id_98000867	318.437	PNUGGEMRTBIJKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050533
O=C(c1c(C)nn(c1C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110657617	318.437	DFPSGLFAFJTIMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050534
O=C(c1csc(n1)C(C)(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101671364	318.437	ZGLDVPZBDIPGGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050535
O=C(c1sc2c(c1)CCCCCC2)Nc1ncnn1C(C)C	EMOLS-id_101717274	318.437	OZNMWQJDUVLLGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050536
O=C(c1sc(c(c1)C)C)NC(c1nnc2n1CCCCC2)C	EMOLS-id_35699474,PC-id_53504426,MCULE-7359135476	318.437	FDJUBNYWVZEJBL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050537
O=C(c1sc(c(c1)C)C)NCCc1nnc2n1CCCCC2	PC-id_86920421	318.437	GCUBPBMZGQLINA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050538
O=C(c1scnc1C(C)(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101673071	318.437	AMEVZBMOMXKXHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050539
O=C(Cc1cc(nn1C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_318750189	318.437	PGSSRPIRHPUOBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050540
O=C(Cc1cnn(c1C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_318454467	318.437	BASYQYAHODWUQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050541
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)C)C	CoCoCo_3081754,CoCoCo_3081755	318.437	RESSCRFEWZZIRF-GXDHUFHOSA-N	00000000110000000101000000000010000000000000000000000000	31-01-050542
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)C)C	CoCoCo_3081756,CoCoCo_3081753	318.437	RESSCRFEWZZIRF-UVTDQMKNSA-N	00000000110000000101000000000010000000000000000000000000	31-01-050543
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O=C(N1CCCc2c(C1)cnn2C)NCCc1ccc(s1)C	EMOLS-id_318758067	318.437	MMTAWFPSXMTXEN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050545
O=C(N1CCCc2c(C1)cnn2C)NCCc1sccc1C	EMOLS-id_318218091	318.437	AWXGVJSPLXWWDH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050546
O=C(N1CCCCc2c1sc(n2)C)Cc1ccn(n1)C(C)C	MCULE-6516554412,EMOLS-id_320290860	318.437	ZMSPKDMXAAEHEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050547
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O=C(N1CCCCc2c1sc(n2)C)C(Cc1cnn(c1)C)C	EMOLS-id_319552249	318.437	BOHGUQWIXOKREP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050549
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O=C(Nc1sc2c(n1)CCCCCC2)CCc1nccn1C	EMOLS-id_318518492	318.437	GABZWTSHKVDTLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050552
O=C(Nc1sc2c(n1)CCCCCC2)CCn1ncc(c1)C	PC-id_86832668	318.437	ACJJSVKKXSKRPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050553
O=C(NC(c1nnc2n1CCCCC2)C)CCc1cccs1	EMOLS-id_35699506,MCULE-8669336734,PC-id_53505310	318.437	JKUDUPALBFBENI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050554
O=C(NCCCn1cncn1)c1cc2c(s1)CCCCCC2	MCULE-2937426549,EMOLS-id_35704524,PC-id_53515835,ZINC22_41862428	318.437	BUYWZUSRSIJVFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050555
s1c2CCCCCc2nc1NC(=O)CCn1nc(cc1C)C	PC-id_24611865	318.437	WYUJKXOLHDZIDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050556
s1c2CCCCCCc2cc1C(=O)NC(c1n(cnn1)C)C	PC-id_75815010	318.437	YAQHNCJLOXJXLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050557
s1c2CCCCCCc2cc1C(=O)N[C@H](c1n(cnn1)C)C	PC-id_52257203	318.437	YAQHNCJLOXJXLV-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-050558
s1c2CCCCCCc2cc1C(=O)N[C@@H](c1n(cnn1)C)C	PC-id_52257204	318.437	YAQHNCJLOXJXLV-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050559
s1c2CCCCCCc2nc1NC(=O)c1n[nH]c(C(C)C)c1	PC-id_56021728	318.437	QFXRUXILAZOQLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050560
s1cc(CCC(=O)NC(c2n3CCCCCc3nn2)C)cc1	PC-id_71897665	318.437	UDVCQBUATYCLNC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050561
s1c(C(=O)NCCc2n3CCCCCc3nn2)c(CC)cc1	PC-id_60566877	318.437	NKJUSSXNYPUBBM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050562
C1CCC(C1)c1ncc(s1)CNC1CCn2c(CC1)nnn2	EMOLS-id_318030384,MCULE-6811934093	318.44	PSAZPXWZDIOAJJ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-050563
C1CCn2c(CC1)nnc2CNc1snc(n1)C1CCCC1	MCULE-2121633267,EMOLS-id_102049838	318.44	XIDFFTIXEJVXBL-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-050564
CC1CCc2c(C1)sc(n2)CNC1CCn2c(CC1)nnn2	MCULE-9775914383,EMOLS-id_318397362	318.44	WGHVRFBRJRWKSC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-050565
Cc1nn(c2c1sssc(n2)C#N)Cc1ccccc1	PC-id_86346594	318.44	IADDHMZXQSWIFV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-050566
C[C@@H](NCc1nnc(C2CC2)s1)c1nnc2n1CCCCC2	MCULE-3115045092,ZINC22_660266704,EMOLS-id_316909010	318.44	WZCSOZZSHHAEHW-SNVBAGLBSA-N	00100000100000000101100000000010000000000000000000000000	31-01-050567
CN=C(NCc1nnc2n1CCCCC2)NCc1cccs1	PC-id_111258445	318.44	VMFWMAGKOSVGMN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050568
CN=C(NCc1nnc2n1CCCCC2)NCc1ccsc1	PC-id_111939243	318.44	MKDLDNVVTURANF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050569
Nc1nc(nc(n1)N(C)C)C(N1CCCc2c(C1)ccs2)C	EMOLS-id_318757928,MCULE-2391962337	318.44	AOMAZMYMDMYNAK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050570
NC(=NCc1nnc2n1CCCCC2)NCCc1cccs1	PC-id_119117487	318.44	APUJRAHCIGZAGE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050571
Cc1c2-c(c(cc2C=CC=CC(=CC=O)C)C)cc(cc1)C(C)C	PC-id_89145494	318.452	DKLYXEHBHYOUCP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050572
C/C(=CC=O)/C=C/C=C/c1cc(C)c2-c1c(ccc(c2)C(C)C)C	PC-id_9797079,CHEMBL107687,SCHEMBL10001480	318.452	DKLYXEHBHYOUCP-RJNHEZEXSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050573
COc1cccc(c1)Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_101446291	318.452	DQFGESHBVKBETQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050574
COc1ccccc1Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102277011	318.452	VOCNICMPCNDEKE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050575
COc1ccc(cc1)Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102277012	318.452	DFEDNHXDSKVNGK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050576
O=C/C=C(/C=C/C=C/c1cc(c2-c1c(C)cc(cc2)C(C)C)C)C	PC-id_101387741	318.452	AOZQALNUXBJKQK-RJNHEZEXSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050577
O=C/C=C(C=CC=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C)/C	SCHEMBL13674517	318.452	DKLYXEHBHYOUCP-VRWHFLSBSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050578
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c1cc2n(n1)C[C@@H](CN1CCCC1)CN(CC1CCOCC1)C2	ZINC22_253478664	318.457	MKENVJZGDBBBAZ-KRWDZBQOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-050580
c1cc2n(n1)C[C@H](CN1CCCC1)CN(CC1CCOCC1)C2	ZINC22_253478665	318.457	MKENVJZGDBBBAZ-QGZVFWFLSA-N	00000010100010000101000000000010000000000000000000000000	31-01-050581
C1CCC(C(NCc2nnc3n2CCOCC3)C2CCCC2)C1	EMOLS-id_320298446,ZINC22_1614994771,MCULE-5550079223	318.457	LKADJZIWJORPMZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050582
c1(CN(C)C(C)C(=O)NC2CCCC2)c2CCCCCc2[nH]n1	PC-id_50975465,EMOLS-id_32419816,MCULE-8593159329	318.457	MPZRSJXMLQDYII-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050583
c1(CN(C)C(=O)NCCC2CCCC2)c2CCCCCc2[nH]n1	EMOLS-id_177400978,ZINC22_426444966,MCULE-9641749497,PC-id_121499715	318.457	ORKOFVNPBDGPHJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050584
c1(scc(C2CC2)n1)NC(=O)c1cc2c(CCCCC2)s1	CoCoCo_6837206,PC-id_17060319,MCULE-8746851864,ZINC22_17054747,EMOLS-id_4002965,TIMTEC326459	318.457	NBSUCEZCBBFVGG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-050585
CC1(C)Cc2n[nH]cc2CN(C(=O)[C@@H]2CCCCCC[C@@H]2N)C1	ZINC22_952892738	318.457	CAFCSCDPIOSFTK-CABCVRRESA-N	00000000100000000101000000000010000000000000000000000000	31-01-050586
CC1(C)Cc2n[nH]cc2CN(C(=O)[C@H]2CCCCCC[C@@H]2N)C1	ZINC22_952892741	318.457	CAFCSCDPIOSFTK-GJZGRUSLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050587
CC1(C)Cc2n[nH]cc2CN(C(=O)[C@@H]2CCCCCC[C@H]2N)C1	ZINC22_952892743	318.457	CAFCSCDPIOSFTK-HUUCEWRRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050588
CC1(C)Cc2n[nH]cc2CN(C(=O)[C@H]2CCCCCC[C@H]2N)C1	ZINC22_952892744	318.457	CAFCSCDPIOSFTK-LSDHHAIUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050589
CC1CCC(CC1)NC(=O)C(N1CCCc2c(C1)cnn2C)C	MCULE-3843462220,EMOLS-id_101740003	318.457	QCZFBPSWMSAREB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050590
CC1CC(C)(C)CCC1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101720340	318.457	XMMRODNLWOBOJN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050591
CC1(C)CC(CC(C)(C)N1)NC(=O)c1n[nH]c2CCCCCc12	MCULE-2200769066,EMOLS-id_323251894	318.457	REOGQTROWXRKFZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050592
CC1CCC(NC(=O)[C@H](C)N2CCCc3c(cnn3C)C2)CC1	ZINC22_334045993	318.457	QCZFBPSWMSAREB-BBBYJDLNSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050593
CC1CCC(NC(=O)[C@@H](C)N2CCCc3c(cnn3C)C2)CC1	ZINC22_334045994	318.457	QCZFBPSWMSAREB-NPCAHTBFSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050594
CC1(C)C(NCCc2nnc3n2CCCCC3)C2C1OCCC2	EMOLS-id_318161092,MCULE-2780601191	318.457	KKXNOYBUTXMTAC-UHFFFAOYSA-N	00001000100010000101001000000010000000000000000000000000	31-01-050595
C(C1CCOCC1)N1CC(CN2CCCC2)Cn2nccc2C1	EMOLS-id_50373799	318.457	MKENVJZGDBBBAZ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-050596
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)N(C1CCCCC1)C)C	MCULE-5942077256,EMOLS-id_319904522	318.457	UFIOURQDWRUAOU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050597
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCN(C1CCCCC1)C	MCULE-6845004385,EMOLS-id_320157859	318.457	DNMVWKGWAGXMTB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050598
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(N1CCCCC1)C(C)C	MCULE-5068588968,EMOLS-id_319964751	318.457	CPTVTOADUSYYBC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050599
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CC1CN(CC(=O)NCCC2CCCCC2)Cc2c(C1)[nH]nc2	MCULE-2336392715,EMOLS-id_320113942	318.457	CDRHHESJMPJOAR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050601
CCC1CCCCC1CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101690096	318.457	PLMJNJOVUMOJBW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050602
CCC1(CCCCC1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101691218	318.457	YIGWGTQMJTYCMV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050603
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CC(C1CCC(CC1)NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101723658	318.457	CWXPMOBGNGAUAC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050605
CC(C1CCCC(C1)NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101728260	318.457	OCXQWFLMFHRKFT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050606
CCC1(CC)CCCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316719569	318.457	SHBIAUCITPCTEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050607
CC(CC1(CCC1)CNC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101714834	318.457	QJWFQFFZEVTDEZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-050608
CCCC1CCC(CC1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101722182	318.457	RBXFLLDECDERFY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050609
CCCC(C1CCCC1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101694032,MCULE-3554023427	318.457	DTIMDMGEHFOGSP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050610
CCCCC1CCCC1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318003274	318.457	NTGOUVSUSYIPNO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050611
CCC[C@H](NC(=O)N1CCCc2c(cnn2C)C1)C1CCCC1	ZINC22_334113271	318.457	DTIMDMGEHFOGSP-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050612
CCC[C@@H](NC(=O)N1CCCc2c(cnn2C)C1)C1CCCC1	ZINC22_334113272	318.457	DTIMDMGEHFOGSP-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050613
CCCCN(C(=O)C1CCn2c(CC1)nnc2)C1CCCCC1	EMOLS-id_278112546	318.457	CSRYTBIEEKPPFG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050614
CC(C(C(=O)N1CCCc2c(C1)cnn2C)N1CCCCC1)C	EMOLS-id_318240030	318.457	HKBIKBFQQUIVTC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050615
CCCN1CCC(CC1)CNC(=O)c1[nH]nc2c1CCCCC2	SYN-15647723,ZINC22_19502619,EMOLS-id_43235057,MCULE-2675287081,PC-id_46964196	318.457	XBUZYJWWLQIUNB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050616
CC(CN1CCC(CC1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_320215016,MCULE-6061633260	318.457	ZCTGQKWDJLIUSO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050617
CC(CN1CCC(CC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	MCULE-2765486329,EMOLS-id_320029389	318.457	CDKZMQXWHUKVHA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050618
CCCN(C(=O)C1CCn2c(CC1)nnc2)CC1CCCCC1	EMOLS-id_319533504	318.457	LWKPUHPUDJZDQQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050619
C[C@H]1CC[C@@H](CC1)C(=O)N1CCCn2cnc(CN(C)C)c2C1	EMOLS-id_313736144,ZINC22_2055718389	318.457	PRKAGAVHUQTPBK-SHTZXODSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050620
C[C@@H](C(=O)NC1CCCC1)N(C)Cc1n[nH]c2c1CCCCC2	ZINC22_67851304,PC-id_95218136	318.457	MPZRSJXMLQDYII-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050621
C[C@H](C(=O)NC1CCCC1)N(C)Cc1n[nH]c2c1CCCCC2	ZINC22_67851306,PC-id_95218137	318.457	MPZRSJXMLQDYII-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050622
C[C@@H](NC(=O)N1CCCc2c(C1)cnn2C)CC1CCCCC1	EMOLS-id_101693597	318.457	AKQBYXZVKHAHRI-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050623
CC(N(C(=O)CN1CCCc2c(C1)cnn2C)C1CCCC1)C	EMOLS-id_318303492	318.457	ZKCLLGDGYDHIFE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050624
CCN(C(=O)CN1CC(C)Cc2c(C1)cn[nH]2)C1CCCCC1	MCULE-4668860672,EMOLS-id_320074563	318.457	ISWXBSYBRVLTHT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050625
CN1CCC(CC1)(C)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319055558	318.457	YUVXSWSFLIOQGR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050626
CN1CC[C@H](C[C@H]1C)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319910305,MCULE-6484200762	318.457	PJXAXBCDOBZKAJ-ZIAGYGMSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050627
CNC(=O)c1nc(n2c1CN(C)CCC2)CCC1CCCCC1	PC-id_145538741	318.457	MLMYAAKDILZEEL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050628
CO[C@@H]1C[C@H]2[C@@H](C1)CC(C2)NCCc1nnc2n1CCCCC2	EMOLS-id_102140345	318.457	FLDBQSXPXWMKNR-OFTBEEIDSA-N	00000010100000000101000000000110000000000000000000000000	31-01-050629
CSc1ccccc1C(=O)Nc1nc2c(s1)CCCCC2	ZINC22_12806030,MCULE-7988527448,EMOLS-id_17184249,CoCoCo_4546154,PC-id_24239539	318.457	YRNGHMPWYXKGLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050630
NC1CCCCCCC1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-5482790352,EMOLS-id_316169555	318.457	CAFCSCDPIOSFTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050631
NCCC[C@@H]1[C@H](C)CCCN1C(=O)c1cnc2n1CCCCC2	EMOLS-id_320178973,MCULE-7956629158	318.457	SXDIEGHPZUYZDJ-HUUCEWRRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050632
O=C(c1cc2c(s1)CCC2)Nc1nc2c(s1)CCCCC2	PC-id_112807865	318.457	XAXQGHSEJAKHNS-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-050633
OC(c1cc2c(s1)CCCCC2)Cc1cn2c(n1)scc2	PC-id_115828252	318.457	KQLKOERBZNWITR-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-050634
O=C(C1CCn2c(CC1)nnc2)NCC(C1CCCCC1)(C)C	MCULE-8782181218,EMOLS-id_320321387	318.457	TUXULKJEYWDMGO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050635
O=C(CC1CCCCCC1)NCCc1nnc2n1CCCCC2	PC-id_71924281,EMOLS-id_45659917,MCULE-2915059309	318.457	GWGHUQNTBPDMCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050636
O=C(C(N1CCCc2c(C1)cnn2C)C)NC1CCCCC1C	EMOLS-id_101738903	318.457	FGIFMSMALXWQLP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050637
O=C(C(N1CCCc2c(C1)cnn2C)C)NCC1CCCCC1	EMOLS-id_101739949	318.457	XATANVXIZBWPDB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050638
O=C(C(N1CCCCC1)(C)C)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316545965	318.457	MCUJDUOMNRBURN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050639
O=C(CSc1ccccc1)Nc1nc2c(s1)CCCCC2	MCULE-9005659335,EMOLS-id_29989127,CoCoCo_4546142,PC-id_29859310,ZINC22_21902082	318.457	FNQAEBYHGQVLGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050640
O[C@@H]1CCN(C[C@H]1C1CCCC1)Cc1nnc2n1CCCCC2	EMOLS-id_101594502	318.457	FFXJUXBKZXZSCW-JKSUJKDBSA-N	00000010100010000101100000000010000000000000000000000000	31-01-050641
O=C(N1CCCc2c(C1)cnn2C)NCC1CCCC(C1)(C)C	EMOLS-id_101710520	318.457	PCWIWNQEISFCEH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050642
O=C(N1CCCc2c(C1)cnn2C)NCC1CCC(CC1)(C)C	EMOLS-id_101726442	318.457	SJSANYBURLRQON-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050643
O=C(N1CCCc2c(C1)cnn2C)NCC1(C)CCCCCC1	EMOLS-id_101699426	318.457	ORWGWYKQODRDCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050644
O=C(N1CCCc2c(C1)cnn2C)NCC(C1CCCC1)(C)C	EMOLS-id_101719461	318.457	AXQBZOJSUBMRKK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050645
O=C(N1CCCC(CC1)C(C)(C)C)C1CCn2c(CC1)nnc2	EMOLS-id_319517482	318.457	XGICBCLASOYISP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050646
O=C(NC1CCCC(C1C)C)CN1CCCc2c(C1)cnn2C	EMOLS-id_101738933	318.457	ACWACPNOPOKOSX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050647
O=C(Nc1nc2c(s1)CCC2)c1cc2c(s1)CCCCC2	ZINC22_9460187,MCULE-9551693366,PC-id_16377187,EMOLS-id_43423394,CoCoCo_4164143	318.457	ANESZHWIPQFBRQ-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-050648
O=C(NCCc1n2CCCCCc2nn1)CCC1CCCCC1	PC-id_51307465	318.457	GQSSYUBMMAPUMV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050649
s1c2CCCCCc2cc1C(=O)NN=Cc1sc(cc1)C	PC-id_78620872	318.457	IJNHEYXWPUVLTR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-050650
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+]1CCCC1)C)C#N	PC-id_9275034	318.457	DPCSMBJVXHCQMR-LBPRGKRZSA-O	00000010100000000100000000000010000000000000000000000000	31-01-050651
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+]1CCCC1)C)C#N	PC-id_9275036	318.457	DPCSMBJVXHCQMR-GFCCVEGCSA-O	00000010100000000100000000000010000000000000000000000000	31-01-050652
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCCC1)C)C#N	PC-id_84968695	318.457	DPCSMBJVXHCQMR-UHFFFAOYSA-O	00000010100000000100000000000010000000000000000000000000	31-01-050653
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCCCC1)C#N	PC-id_2697429	318.457	PRJPOUQGLQPCCK-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-050654
s1c(c(C2CC2)cc1)C(=O)Nc1sc2CCCCCc2n1	PC-id_56549766	318.457	TYXXWWCXCINFNI-UHFFFAOYSA-N	00100000100100000101100000000010000000000000000000000000	31-01-050655
S(c1n2CCCCCc2nn1)CCNCCS(=O)(=O)C	PC-id_62576692	318.459	ZECPJKFKVXXZOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050656
CC1CCCN(C1)C(=NCCCc1nnc2n1CCCCC2)N	PC-id_111093757	318.46	NZZILFMARMCVJZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050657
CC1CCN(CC1)C(=NCCCc1nnc2n1CCCCC2)N	PC-id_110935172	318.46	HKFPGTOVKKHFBR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050658
C=CCCCN(C(=NCc1nnc2n1CCCCC2)NCC)C	PC-id_109497685	318.46	BKCCZYLNQYPBFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050659
C=CCCCN(C(=NC)NCCc1nnc2n1CCCCC2)C	PC-id_109497206	318.46	UXNVTUHXVUBUQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050660
CCCC/N=C(/NCc1nnc2n1CCCCC2)N1CCCC1	PC-id_75532654,ZINC22_75583185	318.46	MDURDTUFGSPERK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050661
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(C1)(C)C	PC-id_111739234	318.46	JPPQWSYQCVRYLX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050662
CCNC(=NCc1nnc2n1CCCCC2)N1CCCC(C1)C	PC-id_111143748	318.46	VVCKKIGPSKMKAX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050663
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(CC1)C	PC-id_111211059	318.46	KAVJMGXJWBABEE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050664
CCNC(=NCc1nnc2n1CCCCC2)NC1CCCCC1	PC-id_110958743	318.46	AXAOQYXAFITVKQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050665
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCCC1	PC-id_110992489	318.46	AGLXBIDAHOWYNB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050666
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCCC1	PC-id_110955920	318.46	DVUWDBHCSCBJIG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050667
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CC1C	PC-id_111962121	318.46	CENZUDLFVQBUGK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050668
CC/N=C(/NCCCc1nnc2n1CCCCC2)NCC1CC1	PC-id_75424793,ZINC22_80514219	318.46	HDTUZWQJXCEZLF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050669
CN=C(N1CC(C1(C)C)(C)C)NCc1nnc2n1CCCCC2	PC-id_109451841	318.46	PXJIEJXNHIRDKI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-050670
CN=C(N1CCC(C1)(C)CC)NCc1nnc2n1CCCCC2	PC-id_120063695	318.46	QLHKGBAHRWUGIK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050671
CN=C(N1CCC(C1)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111739364	318.46	HYEJUUYFNPWSDV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050672
CN=C(N1CC(C)CC(C1)C)NCc1nnc2n1CCCCC2	PC-id_111154165	318.46	UAPYFNYYSXWDAG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050673
CN=C(NC1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_110991129	318.46	HJGCLNLPZWYRJC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050674
CN=C(NC1CCC(CC1)C)NCc1nnc2n1CCCCC2	PC-id_111256131	318.46	WKTHQQVYJXTXMP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050675
CN=C(NC1CCCCC1)NCCc1nnc2n1CCCCC2	PC-id_110959109	318.46	NKEMZDNZFURGOD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050676
CN=C(NCC1(CC)CCC1)NCc1nnc2n1CCCCC2	PC-id_109468749	318.46	WFBWISOSCODBSR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-050677
NC(=NCCc1nnc2n1CCCCC2)NC1CCCCCC1	PC-id_109940975	318.46	PWJOPUMNPOFPBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050678
NC(=NCCCc1nnc2n1CCCCC2)N1CCCCCC1	PC-id_112289558	318.46	ZHWMLOSTPTXELQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050679
NC(=NCCCc1nnc2n1CCCCC2)NC1CCCCC1	PC-id_111093707	318.46	HXVYKJGMMUBFMD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050680
S(c1n2CCCCCc2nn1)Cc1sc(cc1)C#CCN	PC-id_61731815	318.46	DSFZAUDQSHLKST-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050681
S(c1n2CCCCCc2nn1)Cc1sccc1C#CCN	PC-id_61732012	318.46	ZQNFZBLYBYSYMN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050682
S(c1n2CCCCCc2nn1)Cc1scc(c1)C#CCN	PC-id_61743870	318.46	GNPGQNOFESOMFQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050683
O=Cc1c2-c(c(c1S(C(C)(C)C)(C)C)C(O)C)ccccc2	PC-id_145572866	318.474	UTYFNGQOZQTYNJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050684
c1(cc2c(CCCCCC2)s1)C(=O)N1CCN(CC1)CC=C	MCULE-8262136636,CoCoCo_1052034,EMOLS-id_2548301,ZINC22_20160959,PC-id_6469616,TIMTEC220288	318.477	INMZQPSWFTVWDO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-050685
c1(NC(=O)CCCCCCC)sc2c(CCCCC2)c1C#N	CoCoCo_6928286,SPECS-id_AL-281/15411002,ZINC22_97960074,EMOLS-id_5399920,PC-id_4188527,MCULE-8693089550	318.477	GOOLEBONIFLDGN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050686
CC1CN2C(C1)CCC(C2)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319707820	318.477	NXNBNEBAZZGUQY-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-050687
CNC1C(=O)N(CCc2c1scc2)CC1CC2CC1CCC2	SCHEMBL14171047,PC-id_23554828	318.477	IZWWZTQCJYUDKV-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-050688
CNC1C(=O)N(CCc2c1scc2)CC1CC2CCC(C1)C2	PC-id_23554800,SCHEMBL14171061	318.477	DIRMABSUYSPNHH-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-050689
CN(C(=O)c1cc2c(s1)CCCCC2)C1CC2CCC(C1)N2	PC-id_120011820	318.477	ZCQGTNPTJVCPLC-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-050690
NC1CCC2C1CN(C2)C(=O)c1sc2c(c1)CCCCCC2	PC-id_120334142	318.477	MRHSFPNVAVLHQS-UHFFFAOYSA-N	00000010100000000100000000000110000000000000000000000000	31-01-050691
NC1CCCC2C1CN(C2)C(=O)c1cc2c(s1)CCCCC2	PC-id_120317978	318.477	JCUYMVLUCYGRHW-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-050692
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O=C(c1sc2c(c1)CCCCCC2)NC1CC2CCC(C1)N2	EMOLS-id_301577121,MCULE-4496808475,PC-id_119456368	318.477	ANODLHKJJVHQRM-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-050695
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s1c2c(CCCCC2)c(c1NC(=O)C(CCCC)CC)C#N	PC-id_3693187	318.477	DJHAMUFXXBTRNG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050697
s1c2CCCCCCc2c(c1NC(=O)CCCCCC)C#N	PC-id_3334122	318.477	DFBCCNLNJYWABA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050698
Cc1cc([C@@H](C)NCCc2nnc3n2CCCCC3)c(C)s1	ZINC22_95419791,PC-id_97229602	318.48	WLQSHTAPSAQFNB-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050699
Cc1cc([C@H](C)NCCc2nnc3n2CCCCC3)c(C)s1	ZINC22_95419792,PC-id_97229603	318.48	WLQSHTAPSAQFNB-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050700
Cc1cc(c(s1)C)C(NCCc1nnc2n1CCCCC2)C	PC-id_75382554,EMOLS-id_48265963,MCULE-1319390900	318.48	WLQSHTAPSAQFNB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050701
CCC1(C)C=Nc2c(N=C1)sc(=NC)n2/C=CC(C(C)C)C	PC-id_144812707	318.48	HWAMYGWZEZEPNF-QMLLREKJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-050702
CC(C)N(C)Cc1cnc2CCN(Cc3cccs3)CCn12	ZINC22_96196839,PC-id_97466984,EMOLS-id_44328609	318.48	YXBCQVVMGJNXBJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050703
CC(C)N(C)Cc1cnc2CCN(Cc3ccsc3)CCn12	ZINC22_96196840,EMOLS-id_44328611,PC-id_97466985	318.48	BMWILIJRVCEGBQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050704
CC(C)N(C)CC1CN(Cc2ccsc2)Cc2nccn2C1	EMOLS-id_44326149	318.48	OEFXTOCZUUXYDP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050705
CC(C)N(C)C[C@H]1CN(Cc2ccsc2)Cc2nccn2C1	ZINC22_96188310,PC-id_97462751	318.48	OEFXTOCZUUXYDP-INIZCTEOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050706
CC(C)N(C)C[C@@H]1CN(Cc2ccsc2)Cc2nccn2C1	ZINC22_96188311,PC-id_97462752	318.48	OEFXTOCZUUXYDP-MRXNPFEDSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050707
CCN(CC)CC1CN(Cc2cccs2)Cc2nccn2C1	EMOLS-id_44326113	318.48	DQZHJFHQLZIVCU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050708
CCN(CC)CC1CN(Cc2ccsc2)Cc2nccn2C1	EMOLS-id_44326115	318.48	ZOYYCJOQAFEBGU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050709
CCN(CC)C[C@H]1CN(Cc2cccs2)Cc2nccn2C1	PC-id_97462717,ZINC22_96188274	318.48	DQZHJFHQLZIVCU-HNNXBMFYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050710
CCN(CC)C[C@@H]1CN(Cc2cccs2)Cc2nccn2C1	ZINC22_96188275,PC-id_97462718	318.48	DQZHJFHQLZIVCU-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050711
CCN(CC)C[C@H]1CN(Cc2ccsc2)Cc2nccn2C1	PC-id_97462719,ZINC22_96188276	318.48	ZOYYCJOQAFEBGU-INIZCTEOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050712
CCN(CC)C[C@@H]1CN(Cc2ccsc2)Cc2nccn2C1	ZINC22_96188277,PC-id_97462720	318.48	ZOYYCJOQAFEBGU-MRXNPFEDSA-N	00000000100100000101000000000010000000000000000000000000	31-01-050713
s1c2CCCCCc2cc1C(=O)c1sc(C(C)(C)C)cc1	PC-id_81633996	318.497	XUYJGQYOWWPUBE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-050714
CC(c1sc(c2c1SCSCS2)C(C)(C)C)(C)C	SCHEMBL18943924	318.584	ZXLGBBALUCZUDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050715
Clc1nc(NCc2nnc3n2CCCCC3)c2c(n1)nc[nH]2	EMOLS-id_316657409	318.765	SCMOXMPCDBESLV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-050716
O=C(c1noc2c1CCCCC2)NS(=O)(=O)C1(Cl)CC1	EMOLS-id_278229050	318.776	RCJBILVPGBFUEP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050717
c1(c2CCCCCc2on1)C(=O)N(C)c1c(C)ccc(Cl)c1	MCULE-7537779280,TIMTEC208710,CoCoCo_2401424,ZINC22_7000067,PC-id_16023530,EMOLS-id_16234839	318.798	IAUDYPWWYMYZNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050718
c1(c2CCCCCc2on1)C(=O)N(CC)c1cccc(Cl)c1	PC-id_20923874,CoCoCo_2401429,EMOLS-id_16234849,MCULE-2696658435	318.798	MBPXBMFPHJTRME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050719
C1CCC(c2c(CC1)c(n[nH]2)C(=O)O)Cc1cc(ccc1)Cl	PC-id_90805404	318.798	CVFMFRQIBGNZLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050720
Clc1c(CC2CCCCc3c2n(nc3C(=O)O)C)cccc1	PC-id_68653627,SCHEMBL3466334	318.798	TXTPLVHVLRNVEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050721
Clc1cccc(c1)CCNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318718986	318.798	SCDKPALAGQFGCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050722
Clc1cccc(c1)Cn1nc(c2c1CCCCCC2)C(=O)O	PC-id_68422768,SCHEMBL2870198	318.798	AMIORMQJNMCFTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050723
Cc1ccc(c(c1)Cl)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_317946051	318.801	CGEICNSTBQAKSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050724
Cc1ccc(c(c1)Cl)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101956715	318.801	PIUXURWWSWUNKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050725
Cc1ccc(c(c1)C(=O)NCc1nnc2n1CCCCC2)Cl	EMOLS-id_318589202	318.801	DOHVELBHKFORBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050726
Cc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101965782	318.801	ICXVVCLITVTRTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050727
Cc1cc(Cl)cc(C(=O)NCc2nnc3n2CCCCC3)c1	MCULE-8717617263,PC-id_119042445,EMOLS-id_75980311,ZINC22_126494370	318.801	AOIFSQVSABNDSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050728
CC1CN(CC(=O)Nc2cccc(c2)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_318953092	318.801	YEHLMZUQMVDPKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050729
CC1CN(CC(=O)Nc2ccc(cc2)Cl)Cc2c(C1)[nH]nc2	MCULE-7510772419,EMOLS-id_320179004	318.801	KEVPUTCBPRNWKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050730
CCc1ccc(cc1Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316478867	318.801	ZGECRIUQAHMNHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050731
C=CC=C(c1c2CC=CCCCn2c(c1)C(=O)N=C(N)N)Cl	PC-id_90752928	318.801	DYEHPLWEKNWPAU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-050732
C[C@@H](NC(=O)c1ccccc1Cl)c1nnc2n1CCCCC2	ZINC22_29252543	318.801	MXQUUOPFUXXJLC-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050733
C[C@H](NC(=O)c1ccccc1Cl)c1nnc2n1CCCCC2	ZINC22_29252550	318.801	MXQUUOPFUXXJLC-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-050734
Clc1cccc(c1)CCNC(=O)C1CCn2c(CC1)nnc2	MCULE-1066082560,EMOLS-id_320177759	318.801	ZRMVBXGGPYAREE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050735
Clc1ccc(c(c1)C)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_318386330	318.801	XWOGUAXXWMWIJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050736
Clc1ccc(c(c1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101956661	318.801	DOWRZPSUWAOCQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050737
Clc1ccc(c(c1)C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_318669553	318.801	QZJHHJWUVQVFJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050738
Clc1cccc(c1)NCC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318247239	318.801	WBRNGVCHNBXSLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050739
Clc1ccccc1NC(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_232860517,ZINC22_828075265,MCULE-7245857183	318.801	OCCKQTXIRVPWMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050740
Clc1ccc(CNC(=O)N2CCCc3[nH]cnc3CC2)cc1	PC-id_20803121	318.801	SOGRKBZZPQIFCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050741
Clc1cc(CC(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_60232089	318.801	JPJMMPPSKWQJDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050742
Clc1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51307425	318.801	MOTYZJRSYZUXLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050743
Clc1ccc(nc1)[C@@H](NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318484806	318.801	JVBMIEGIGVUAEO-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-050744
Clc1ccc(nc1)[C@H](NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318706287	318.801	JVBMIEGIGVUAEO-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-050745
Clc1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_51307431	318.801	QQOVTFPJEMJRCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050746
Clc1c(C(=O)NC(c2n3CCCCCc3nn2)C)cccc1	MCULE-7928697572,PC-id_53504677,EMOLS-id_35688554	318.801	MXQUUOPFUXXJLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050747
Clc1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_51307423	318.801	GWTKCTLMUNBOHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050748
Cl/C(=C/C=C)/c1c2n(CCCC=CC2)c(c1)C(=O)N=C(N)N	PC-id_59964859	318.801	DYEHPLWEKNWPAU-ITBXGVODSA-N	00000000100000000110000000000010000000000000000000000000	31-01-050749
Cn1ncc2c1CCCN(C(=O)NCc1cccc(Cl)c1)C2	EMOLS-id_101730444,MCULE-4077629224,ZINC22_334034836	318.801	NAHJKMNPBNHJMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050750
Cn1ncc2c1CCCN(C(=O)NCc1ccc(Cl)cc1)C2	MCULE-7852181911,EMOLS-id_101727882,ZINC22_333684452	318.801	AGGCCRNEXDWTGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050751
CNc1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_102244890	318.801	YWMHCXOMGYEEKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050752
CNc1cc(Cl)ccc1C(=O)N1CCCc2c(C1)cnn2C	MCULE-2232883716,EMOLS-id_318238748	318.801	GBUWHLVLEBYIOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050753
CNc1cc(Cl)ccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318871147	318.801	LQNUUGWZLZBENB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050754
CN(C(=O)C1CCn2c(CC1)nnc2)c1ccc(c(c1)Cl)C	EMOLS-id_278146921	318.801	QMUIOJLUPCJVEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050755
CN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1Cl	EMOLS-id_319269316	318.801	WUIXNHLXDWBTRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050756
Nc1ccc(c(c1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)Cl	MCULE-5271005415,EMOLS-id_320030227	318.801	ABQVDTAOXADQER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050757
O=C(c1cccc(c1C)Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318741499	318.801	KORRTDAOHVQMFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050758
O=C(c1ccc(c(c1)C)Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318765520	318.801	GLNZWESEDPRUQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050759
O=C(c1ccc(c(c1)Cl)C)NCc1nnc2n1CCCCC2	EMOLS-id_318387332	318.801	JLSUGEZBLBUZOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050760
O=C(c1cccc(c1Cl)C)NCc1nnc2n1CCCCC2	EMOLS-id_318462591	318.801	CSCNIHBUXDYJMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050761
O=C(c1c(C)cccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318674507	318.801	NEAXXKDOBKJUEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050762
O=C(C1CCn2c(CC1)nnc2)Nc1cc(C)c(c(c1)C)Cl	EMOLS-id_278167732	318.801	JLJFKSXYECVLMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050763
O=C(N1CCCc2c(C1)cnn2C)CNc1ccccc1Cl	EMOLS-id_318356559	318.801	NSZFDQDSMIXGOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050764
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1C)Cl	EMOLS-id_101956679	318.801	UZZOSRUBQOPFJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050765
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)Cl)C	EMOLS-id_101847163	318.801	CBTGGPIFWBXARZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050766
O=C(N1CCCc2c(C1)cnn2C)Nc1c(C)cccc1Cl	EMOLS-id_101852461	318.801	ILYYQDMHVJSEQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050767
O=C(N1CCCc2c(C1)cnn2C)NCc1ccccc1Cl	EMOLS-id_101730432	318.801	JROZGSVLEWMXQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050768
O=C(Nc1ccccc1Cl)CN1CCCc2c(C1)cnn2C	EMOLS-id_318048676	318.801	ADTPXWWWHKLQIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050769
O=C(Nc1ccc(cc1)Cl)CN1CCCc2c(C1)cnn2C	EMOLS-id_318096887	318.801	QENCVHMZWRWEEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050770
O=C(Nc1cccc(c1)Cl)CN1CCCc2c(C1)cnn2C	EMOLS-id_318207207	318.801	NTFRTXQXKLNKKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050771
Clc1ccc(nc1)C#CCN1CCc2c(CC1)nc(s2)N	PC-id_19985859,SCHEMBL9871623	318.824	VMLAIWCECGDUMV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-050772
N#Cc1ccc(c(c1)Cl)CSc1nnc2n1CCCCC2	PC-id_102668354	318.824	ASFDPMBQQCQXRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050773
Clc1ccc(cc1)Cn1c(nc2c1C(O)CCCC2)C(C)C	PC-id_58460225,SCHEMBL2511859	318.841	FIYOCPICNPYWBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050774
O=C(Nc1cn(c2=CC=CC(C=c12)Cl)C)CC1CCCCC1	PC-id_144074964	318.841	OCINUDBWGOWWFP-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-050775
ClCCS(=O)(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_113985612	318.843	ZJORZRFJNOSWDN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050776
Cc1ccc(CN[C@H](C)c2nnc3n2CCCCC3)c(Cl)c1	EMOLS-id_316909522,ZINC22_404575399,MCULE-8859894744	318.844	GMUWRGRFOSTWFW-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050777
Clc1ccc(cc1)C(NCc1nnc2n1CCCCC2)(C)C	EMOLS-id_318084361,MCULE-8947866566	318.844	VYXMLLILGQRZTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050778
Clc1cccc(c1)C(NCc1nnc2n1CCCCC2)(C)C	MCULE-8938850566,EMOLS-id_318125361	318.844	ZJFKRMMCRIWFJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050779
Cc1ccc(c(c1)Cl)CC(=O)c1cc2c(s1)CCCCC2	PC-id_106865389	318.861	NWIPTKUIZFFCBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050780
Clc1cc(C)c(cc1C(=O)c1cc2c(s1)CCCCC2)C	PC-id_115483520	318.861	OAWPFMXPUSRSIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050781
Clc1c(cc(C(=O)c2sc3CCCCCc3c2)c(c1)C)C	PC-id_64211430	318.861	LCNLXECOCJGKLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050782
ClC(c1sc2c(CCCCC2)c1)c1cc2CCOc2cc1	PC-id_63430512	318.861	VJWHQVBEYAGGJO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-050783
ClC(c1sc2c(CCCCC2)c1)c1cc2c(COC2)cc1	PC-id_63447955	318.861	ILKMZFFFZRUAQV-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-050784
ClC(c1sc2c(CCCCC2)c1)c1c(cc(cc1C)C)C	PC-id_63431589	318.904	KPKUEQAORQPKGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050785
ClC(c1sc2c(CCCCC2)c1)c1ccc(CCC)cc1	PC-id_63432559	318.904	SSWDWWLZIJIZBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050786
ClC(c1sc2c(CCCCC2)c1)c1ccc(C(C)C)cc1	PC-id_63434522	318.904	HYYLOCLIVGWYTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050787
ClC(c1sc2c(CCCCC2)c1)Cc1cc(c(cc1)C)C	PC-id_63520207	318.904	TXJDPOBXGNIODP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050788
ClC(c1sc2c(CCCCC2)c1)Cc1c(ccc(c1)C)C	PC-id_63542511	318.904	FMGLNGWKSPSHBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050789
Brc1cc2c(onc2C)c(=O)c(Br)c1	PC-id_821653	318.95	YJLVPDIMBNFMPO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-050790
Brc1c(=O)c2oc(nc2cc(Br)c1)C	PC-id_13812960	318.95	GWBGXMJHYAGSHH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-050791
Brc1c2nc([nH]c2c(=O)cc(Br)c1)N	PC-id_85577829	318.953	BMULLTNYMPCVJR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-050792
CC1=C(N(C2=C1NC(=O)C(CC2)N)C)I	PC-id_155074794	319.018	XRSKMTHSEIBNDQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050793
CC1(CCCCCC2=C(C1)N=NN2I)C	PC-id_155181524	319.055	SAZSZCVYIFYRFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050794
C1CC2=C(CN(C1)C(=O)NC3=NC4=C(S3)COCC4)C=CO2	EMOLS-id_257909718,PC-id_154758220,MCULE-4536375035	319.099	LJXZCVZFJIODNF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-050795
C1CCC2=NN=C(N2CC1)CNC3=CC(=C(C=C3)Cl)C(=O)N	EMOLS-id_317743504,MCULE-9819480592,PC-id_154736042	319.12	ZTXCEYBEBIPQGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050796
CC1=C(OC(=N1)C(C)C)C(=O)N2CCCCC3=C2SC(=N3)C	PC-id_154794822	319.135	LJVRAWIWGUPFKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050797
CCC(C1=CC=CC=C1)S(=O)(=O)C2=NN=C3N2CCCCC3	PC-id_154735852	319.135	FLKFGOPOMZSETM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050798
CN1C(=O)C(I)CCn2c1c(C)c(n2)C	SCHEMBL18366530	319.142	FUVZFZLYRNUNPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050800
IC1CCn2c(N(C1=O)C)c(nc2C)C	SCHEMBL18367144	319.142	JPINQFOILJIYEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050801
Brc1ccc(cc1)Cn1ncc2c1CCCCC2=O	PC-id_107384240	319.196	GGPLBWXJLCWYTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050802
Brc1ccccc1Cn1ncc2c1CCCCC2=O	PC-id_107384241	319.196	INLZMISDINYWER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050803
Brc1cccc(c1)Cn1ncc2c1CCCCC2=O	PC-id_113952766	319.196	MVTIDDCJYAZVBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050804
Brc1ccc(nc1)Cn1cc2c(c1)CCCCC2=O	PC-id_104801056	319.196	KDGLKVOXASKGSA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-050805
Brc1cncc(c1)Cn1cc2c(c1)CCCCC2=O	PC-id_104801057	319.196	AQNNSTNIAQFQKU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-050806
Brc1ccc(Cn2cc3C(N)CCCCc3c2)cc1	PC-id_83207730	319.239	NJHHCERQYVSNEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050807
Brc1cc(Cn2cc3C(N)CCCCc3c2)ccc1	PC-id_83208878	319.239	VQONXQBUUXAPII-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050808
Brc1c(Cn2cc3C(N)CCCCc3c2)cccc1	PC-id_83208768	319.239	CEBNIPCTIMWDRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050809
CC(c1n[nH]c2CCCCCc12)c1ccc(Br)cc1	EMOLS-id_337934360	319.239	RSSIFZQVWJZUHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050810
CC(c1n[nH]c2CCCCCc12)c1cccc(Br)c1	EMOLS-id_337936152	319.239	ANOAZSFCFJDKPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050811
C1(CC1(Cl)Cl)(C)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_13191536,SPECS-id_AN-153/J102778,PC-id_17233966,MCULE-4958630174	319.25	VENCLMSGLBIZEK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050812
C[C@]1(C(=O)Nc2nc3c(s2)CCCCC3)CC1(Cl)Cl	PC-id_42578718,ZINC22_12402167	319.25	VENCLMSGLBIZEK-GFCCVEGCSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050813
C[C@@]1(C(=O)Nc2nc3c(s2)CCCCC3)CC1(Cl)Cl	ZINC22_12402168,PC-id_42578719	319.25	VENCLMSGLBIZEK-LBPRGKRZSA-N	00100000100000000101000000000010000000000000000000000000	31-01-050814
Brc1cc2-c(ccc(CCCCCCCC)cc2)c1	PC-id_11484002	319.279	RTJPTZXXMXSKTO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050815
FC(F)(CC1n2c(noc2=O)CCCC1)CC(N)C(=O)OC	PC-id_59974968	319.304	FWZHBGCZRCUQHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050816
O=C(C[C@@H]1N=CC=C(n2c1nnc2C)S)NCC(F)(F)F	SCHEMBL18628338	319.306	RYJPAZZACMEVDH-ZETCQYMHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-050817
Brc1n(nc2SSSSSc12)C	SCHEMBL10492057,PC-id_13479558	319.309	FOTTUGUSRPKLEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050818
c1(ccc(C)n1C(F)F)C(=O)N1CCCn2nc(C#N)cc2C1	EMOLS-id_177407332,ZINC22_426475471,MCULE-1403608523,PC-id_121500512	319.309	QKVVJZMHXGEXLR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-050819
CCOC(=O)Oc1c(N)c(c2-c1ccccc2)OC(=O)OCC	PC-id_17776032,SCHEMBL8526462	319.309	XSNWUSZHJSCBNU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050820
c1(c(C)non1)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	EMOLS-id_43145404,ZINC22_72454597,MCULE-4006900248,PC-id_56905203	319.316	CDJDCIBEQGGQPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050821
Cc1ccc(cc1C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945931	319.422	QAXHWZJTTVVNFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051152
OC(=O)Cn1nnc(c1)CNC(=O)c1noc2c1CCCCC2	PC-id_120698847	319.316	AFXXOBYAMVVPIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050822
c1(C(=O)OC)cc2n(CCCN(C(=O)CCn3cnnn3)C2)n1	PC-id_50956951,MCULE-7975784702,EMOLS-id_32384862,ZINC22_65386703	319.319	XBFFBUSWHNIYIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050823
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCOC	PC-id_19523798	319.323	HIFPLYLMKXGMTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050824
CC(C(C(F)(F)F)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319468888	319.326	YTFNVBSMOUCZQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050825
CCC(C(F)(F)F)(NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319503647	319.326	YUIXNEIQHKTLNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050826
c12CN(CCCn1nc(CO)c2)C(=O)c1cccc(OC)c1F	PC-id_91778129,EMOLS-id_55654386,MCULE-8654337061	319.331	GCGKFZYLLBIDLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050827
COC1CN(Cc2ccnn2C1)C(=O)COc1ccc(F)cc1	EMOLS-id_50010618	319.331	AAVQBQXSTLWOAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050828
COCC(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_575406586	319.331	YSVCPGFPYZABKK-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-050829
COCC(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_575406588	319.331	YSVCPGFPYZABKK-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-050830
COCC(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_55750717	319.331	YSVCPGFPYZABKK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-050831
CO[C@H]1CN(C(=O)COc2ccc(F)cc2)Cc2ccnn2C1	ZINC22_247814027	319.331	AAVQBQXSTLWOAH-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050832
CO[C@@H]1CN(C(=O)COc2ccc(F)cc2)Cc2ccnn2C1	ZINC22_247814034	319.331	AAVQBQXSTLWOAH-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050833
OCC1CCn2nccc2CN1C(=O)COc1ccc(F)cc1	EMOLS-id_313742005	319.331	ZVNUNORDPZEQEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050834
O=C(COc1ccc(F)cc1)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585098629	319.331	ZVNUNORDPZEQEL-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050835
O=C(COc1ccc(F)cc1)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585098635	319.331	ZVNUNORDPZEQEL-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050836
c12C(CCCCn1nnn2)C(=O)NCCOc1ccccc1F	EMOLS-id_232827854,MCULE-7127565952	319.334	NUUPEQALYGSKNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050837
COc1ccc(c(c1)F)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318845010	319.334	XAFWTHWMELJKSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050838
COc1ccc(cc1F)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319088667	319.334	FGCDYCGVIWWGGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050839
COc1cc(cc(c1)F)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319232425	319.334	OWWNKLQMLQQQIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050840
COc1cc(F)ccc1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319212679	319.334	NACLUJGKFPYCTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050841
Fc1ccc(CNC(=O)NC2CCc3n[nH]c(=O)n3CC2)cc1	PC-id_91910811,MCULE-5311818394,EMOLS-id_50590488	319.334	HTUKJWMSRYMDKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050842
FCCn1nc(ccc1=O)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318936480	319.334	CZXSDZZPFYYEIB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050843
O=C(NCCOc1ccccc1F)[C@@H]1CCCCn2nnnc12	ZINC22_827731872	319.334	NUUPEQALYGSKNG-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050844
O=C(NCCOc1ccccc1F)[C@H]1CCCCn2nnnc12	ZINC22_827731874	319.334	NUUPEQALYGSKNG-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-050845
OC(=O)[C@H](CS(=O)(=O)CC1CCCCc2n1c(=O)on2)N	PC-id_59055361,SCHEMBL6797051	319.334	XBSIHICPARFOCF-MQWKRIRWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050846
OC(=O)[C@@H](NS(=O)(=O)CC1CCCCc2n1c(=O)on2)C	SCHEMBL6797060,PC-id_69898496	319.334	ZJUJMLWEZTWRSW-JAMMHHFISA-N	00000000100000000101000000000010000000000000000000000000	31-01-050847
S(=O)(=O)(CC1n2c(noc2=O)CCCC1)CC(N)C(=O)O	PC-id_23500528	319.334	XBSIHICPARFOCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050848
S(=O)(=O)(NCC1n2c(noc2=O)CCCC1)CCC(=O)O	PC-id_22901411	319.334	HLIXMXQBUPKNSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050849
S(=O)(=O)(NC(C)C(=O)O)CC1n2c(noc2=O)CCCC1	PC-id_77739388	319.334	ZJUJMLWEZTWRSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050850
c12C(=O)NCCCc1nc(NC(=O)Cn1ncccc1=O)s2	ZINC22_96124404,EMOLS-id_48619056,MCULE-8401302160,PC-id_72720012	319.339	AXRNGOPPDAVSDF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050851
Cn1c(=O)ccc(n1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625271	319.339	QNTMQNWTHZTBEG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050852
O=c1[nH]nc2CCN(CCn12)S(=O)(=O)c1cccc(c1)C#N	EMOLS-id_50585857,MCULE-6956776002,PC-id_91910609	319.339	SDYSCHZLBXQRCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050853
O=c1[nH]nc2CCN(CCn12)S(=O)(=O)c1ccc(cc1)C#N	MCULE-4821232806,PC-id_91910611,EMOLS-id_50585859	319.339	KQWGAXJHCJUSNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050854
O=S(=O)(c1cccc2nonc12)N1CCCn2cncc2C1	EMOLS-id_43179505,ZINC22_72172416,PC-id_56916822,MCULE-2906904416	319.339	CKHAQCXUEZOIQV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-050855
CCOC(=O)N1CCc2c(CC1)cc(s2)C(=C)C(F)(F)F	SCHEMBL1181044,PC-id_66934025	319.343	LNXCWUNRUKZYBN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-050856
CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(F)c(F)c1	ZINC22_2325773536	319.346	RSUUTBSEDYVAKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050857
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cccc(c1)C(F)F	EMOLS-id_319316747	319.349	KPKZSPMRLMAQJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050858
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1ccc(cc1F)F)C	EMOLS-id_319549387	319.349	VSEJRWNZKRIDPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050859
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccc(cc1F)F	EMOLS-id_319177203	319.349	LKQQWDNRTBJFPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050860
O=C(c1cccc(c1)C(F)(F)C)N1CCCc2c(C1)cnn2C	MCULE-6828468231,EMOLS-id_319919234	319.349	GGWSKYMGPDLIAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050861
O=C(c1ccccc1C(F)F)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319666089	319.349	JCGZKMLIOBXYJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050862
Fc1cc(ccc1C(=O)N1CCCc2c(C1)ccs2)C(=O)O	EMOLS-id_318342151,MCULE-2617659510	319.351	IZVFBVSFKLCRTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-050863
CCOC(=O)c1cn(c2c1C(=O)C=CCC2)C(=O)OC(C)(C)C	PC-id_20762223,SCHEMBL6495764	319.352	MWEUHXLNXMHTKO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-050864
Fc1cc(F)cc(c1)C1CC(C1)NC1CCn2c(CC1)nnn2	MCULE-3912642158,EMOLS-id_318290797	319.352	FOQARRILFJYSAL-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-050865
c12C(=O)NCCCc1nc(NC(=O)c1ccc(C)c(F)c1)s2	PC-id_72720026,EMOLS-id_50139263,ZINC22_211131179,MCULE-4615635716	319.354	GXUFHOMVQHEKCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050866
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Cc1ccc(cc1)F	PC-id_90625393	319.354	GNBHRLFDYVOXBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050867
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Cc1ccccc1F	PC-id_90625478	319.354	WNBAYRPKUIHKCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-050868
CCOC(=O)c1c2-c(ccccc2)c(c1O)C=Nc1ccccc1	PC-id_136814865	319.354	INKMPDLVMNATRM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050869
CC1(C)CCNC(=O)c2cc(C(=O)N[C@H]3C[C@@H](C(=O)N)C3)oc12	ZINC22_2325848912	319.356	VZMYYQXMENRQMI-DTORHVGOSA-N	00001000100000000100000000000010000000000000000000000000	31-01-050870
CC(C)N1C(=O)CC(C1=O)NC(=O)c1noc2c1CCCCC2	MCULE-8737063287,EMOLS-id_111880018,PC-id_136533999	319.356	XGBFUSQCZDLUOX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050871
CC(C)N1C(=O)C[C@H](NC(=O)c2noc3c2CCCCC3)C1=O	ZINC22_155416312	319.356	XGBFUSQCZDLUOX-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-050872
CC(C)N1C(=O)C[C@@H](NC(=O)c2noc3c2CCCCC3)C1=O	ZINC22_155416422	319.356	XGBFUSQCZDLUOX-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050873
O=C(c1coc2c1C(=O)NCCC2)N1CC(C1)NC1COCC1	EMOLS-id_318990091	319.356	OGETWJQGMPHRKB-UHFFFAOYSA-N	00001010100000000100000000000010000000000000000000000000	31-01-050874
C1C=CCc2c(C=C1N)cc([nH]2)C(=O)c1cc2c([nH]1)ccc(c2)O	PC-id_137516992,SCHEMBL20762641	319.357	JFKLDFQLKPZYNL-UHFFFAOYSA-N	00000000100000100110000001100010000000000000000000000000	31-01-050875
O=C(N(c1c(c2-c(c1C#N)cccc(C(C)C)c2)C#N)C(=O)C)C	PC-id_85628680	319.357	CGLLYUGOMGFHCU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050876
O=C(N(c1c(c2-c(c1C#N)ccc(C(C)C)cc2)C#N)C(=O)C)C	PC-id_85628687	319.357	RDBFUEFWOLPOEZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-050877
[O-][N+](=O)c1cc(/N=N/c2c3-c(c(cc(cc3C)C)C)cc2)ccc1	PC-id_12572279	319.357	LLWSYOOKPPYBLH-QZQOTICOSA-N	00000010100000110110000000000010000000000000000000000000	31-01-050878
c12CN(CCCn1nc(CO)c2)C(=O)CCC1=NNC(=O)CC1	EMOLS-id_55617059,MCULE-1633990216,PC-id_91765110	319.359	DMFYMAXBSAVASL-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-050879
Cc1c(c(no1)C)CC(=O)NC1CCc2nn(c(=O)n2CC1)C	EMOLS-id_50586741,PC-id_91910906,MCULE-3302685293	319.359	URWJDLCNQYPPON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050880
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CN1C(=O)NC(C1=O)(C)C	EMOLS-id_319981642,MCULE-5032879800	319.359	ZAENTECSPJLPJD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-050881
Cc1nc(cc(=O)[nH]1)CN1CCCn2c(cc(n2)[C@H](CO)O)C1	PC-id_136837095	319.359	LARRPBXEIYPXME-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050882
Cc1nc(cc(=O)[nH]1)CN1CCCn2c(cc(n2)[C@@H](CO)O)C1	PC-id_136837096	319.359	LARRPBXEIYPXME-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050883
Cc1nc(O)cc(CN2CCCn3nc(cc3C2)C(O)CO)n1	PC-id_136665005,EMOLS-id_55708934,MCULE-2283203378	319.359	LARRPBXEIYPXME-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-050884
Cc1noc(COCC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)n1	EMOLS-id_316183897,MCULE-9899382344,ZINC22_952893765	319.359	VSMFBIRYRWPITC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-050885
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c1(csc(C)c1CC)C(=O)N1CCCn2nc(CO)cc2C1	MCULE-6338495043,EMOLS-id_55668879,PC-id_91783132	319.422	GSLCKXQGHVATAQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051144
c1(NC(=O)CCc2c(C)noc2C)sc2c(CCCCC2)n1	EMOLS-id_320485947,MCULE-5452624108	319.422	MIWDKLZCDNBUHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051145
c1(NC(=O)CN2CCOCC2)sc2c(CCCCC2)c1C#N	PC-id_705201,EMOLS-id_2263419,CoCoCo_1003598,MCULE-4368613525,ChEMBL-DNDi_CHEMBL7842365,ZINC22_19902591	319.422	FCERYEVQWDFLQY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-051146
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(c(c1)C)C	MCULE-4203610926,EMOLS-id_319939021	319.422	WTVGLCIJPKJIKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051147
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cc(C)ccc1C	EMOLS-id_320147717,MCULE-5953194806	319.422	OBGIELDNAWEESP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051148
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)Cc1ccccc1C	EMOLS-id_319549827	319.422	CWZDHGCEAYAPDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051149
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CCc1ccccc1	EMOLS-id_319726083	319.422	OVOHCMDDCJMQNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051150
CC1(CCC=CC1)C(=O)N1CCc2nc(sc2CC1)C(=O)N	EMOLS-id_313791030	319.422	MSOBBENEKZQWKL-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-051151
Cc1ccc(c(c1)C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945934	319.422	OWTBGJIDOURYIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051153
Cc1cccc(c1)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948457	319.422	VFCSNSSTLDJBMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051154
Cc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101945928	319.422	LVGCFGSZPNEXFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051155
Cc1ccc(CS(=O)(=O)c2nnc3n2CCCCC3)cc1C	ZINC22_190834169,EMOLS-id_313144870,MCULE-6247479078	319.422	WLQXVGMJRUWUDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051156
Cc1ccc(CS(=O)(=O)N2CCCc3c(cnn3C)C2)cc1	EMOLS-id_101950992,MCULE-8215015435,ZINC22_333410148	319.422	RCMKAZADBFLGIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051157
Cc1ccc(o1)C(NC(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112825154	319.422	WCKJGMAVSYZRKP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-051158
CC1=CCN(CC1)C(=O)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111811777	319.422	YFRMRUGCHRVSIP-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-051159
Cc1cnc(s1)C(CNC(=O)c1noc2c1CCCCC2)C	EMOLS-id_100155732	319.422	SEGGHQOOBFJMGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051160
C[C@@]1(C(=O)N2CCc3nc(C(=O)N)sc3CC2)CC=CCC1	ZINC22_1565554277	319.422	MSOBBENEKZQWKL-MRXNPFEDSA-N	00000000100011000101000000000010000000000000000000000000	31-01-051161
C[C@]1(C(=O)N2CCc3nc(C(=O)N)sc3CC2)CC=CCC1	ZINC22_1614934772	319.422	MSOBBENEKZQWKL-INIZCTEOSA-N	00000000100011000101000000000010000000000000000000000000	31-01-051162
Cc1nc2c(s1)N(CCCC2)C(=O)c1coc(n1)C(C)(C)C	EMOLS-id_319961646,MCULE-9569116716	319.422	BFISQXNQMCYZQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051163
Cc1nc2c(s1)N(CCCC2)C(=O)c1noc(c1)C(C)(C)C	EMOLS-id_319598926	319.422	AQAWPTAAXCAOMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051164
Cc1sc2c(n1)CCCCN2C(=O)C(c1c(C)noc1C)C	EMOLS-id_319803698	319.422	WXPTVADSMULYKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051165
CCc1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945997	319.422	FBYOLZXFQXWTPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051166
CCc1cccc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948616	319.422	ATLNCERGWBZTSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051167
CCc1ccccc1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950839	319.422	PSUULLJGUYTWES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051168
CCc1cccc(c1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319396146	319.422	DXKCHBNRJUIXJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051169
CCc1ccc(cc1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319551236	319.422	YVHZBJIVLGKADM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051170
CCc1ccccc1S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-9974269117,EMOLS-id_319964045	319.422	URSVXGSVMCNIJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051171
CC(c1csc(n1)CNC(=O)c1noc2c1CCCCC2)C	EMOLS-id_100117110	319.422	QTEHHXKQEOESHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051172
CCc1nc(CCNC(=O)N2CCCc3occc3C2)cs1	MCULE-7790817496,ZINC22_291271398,EMOLS-id_316849897	319.422	NCKCTXUJOGNASA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051173
CCc1noc(c1C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_98579986	319.422	FJDVCNRUNICVSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051174
CCCc1nc(c(o1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319799741	319.422	MMXUUAWVOFSPTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051175
CC(C)Cc1cnc(NC(=O)N2CCCc3occc3C2)s1	EMOLS-id_177243928,ZINC22_585083931,MCULE-2982924466	319.422	JDOPQHIGPHFVSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051176
CC(C)OCc1ncn2c1CN(C(=O)c1cccs1)CCC2	ZINC22_96259925,EMOLS-id_44371386,PC-id_97520005	319.422	IQFYRUCRJLJKJM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051177
CC(C)OCc1ncn2c1CN(C(=O)c1ccsc1)CCC2	PC-id_97381706,ZINC22_96059053,EMOLS-id_46148397	319.422	KUOYPABMYSXMSH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051178
CCOCC1CN(Cc2ccnn2C1)C(=O)Cc1cccs1	PC-id_118740946,EMOLS-id_44326871	319.422	BTSMKMNSCGLAIT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051179
CCOCC1CN(Cc2ccnn2C1)C(=O)Cc1ccsc1	CHEMBL3553818,PC-id_118744986	319.422	AOHRARKILJQPNY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051180
CCOCC1CN(Cc2cncn2C1)C(=O)Cc1cccs1	EMOLS-id_49231051	319.422	CBZHYTHHOHSRCA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051181
CCOCC1CN(Cc2nccn2C1)C(=O)Cc1ccsc1	EMOLS-id_44325845	319.422	GFKNJWFNALDSNB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051182
CCOC[C@H]1CN(C(=O)Cc2cccs2)Cc2ccnn2C1	ZINC22_96188944,PC-id_97463365	319.422	BTSMKMNSCGLAIT-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051183
CCOC[C@@H]1CN(C(=O)Cc2cccs2)Cc2ccnn2C1	ZINC22_96188945,PC-id_97463366	319.422	BTSMKMNSCGLAIT-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051184
CCOC[C@@H]1CN(C(=O)Cc2cccs2)Cc2cncn2C1	PC-id_97476160,ZINC22_96208033	319.422	CBZHYTHHOHSRCA-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051185
CCOC[C@H]1CN(C(=O)Cc2cccs2)Cc2cncn2C1	ZINC22_96208032,PC-id_97476159	319.422	CBZHYTHHOHSRCA-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051186
CCOC[C@H]1CN(C(=O)Cc2ccsc2)Cc2nccn2C1	ZINC22_96187812,PC-id_97462265	319.422	GFKNJWFNALDSNB-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051187
CCOC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2nccn2C1	ZINC22_96187813,PC-id_97462266	319.422	GFKNJWFNALDSNB-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051188
CN(Cc1ccc(o1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319448194	319.422	IMIBKFWAXKKSRK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-051189
COCn1ncc(c1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_278923514	319.422	JLBIICSHBUFHSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051190
CSCc1ccc(o1)C(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_55611803,PC-id_91763218,MCULE-2253505420	319.422	AONUGEMRTZPADE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-051191
NCc1ccc(o1)C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_318827184	319.422	CIOGIIJJYLJLGA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-051192
N#CC1(CCOCC1)CC(=O)N1CCCCc2c1sc(n2)C	MCULE-8459008796,EMOLS-id_320158042	319.422	XOSBLVHEVNQYMI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-051193
N#CC1(CCOCC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110809230	319.422	DDNIPWMEQUAHIW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-051194
N#Cc1c(NC(=O)CN2CCC(C2)O)sc2c1CCCCC2	EMOLS-id_110284100	319.422	MIOXZKPEJVRGEF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-051195
N#Cc1c(NC(=O)CN2CC[C@@H](C2)O)sc2c1CCCCC2	PC-id_111332378	319.422	MIOXZKPEJVRGEF-NSHDSACASA-N	00000010100000000100000000000010000000000000000000000000	31-01-051196
O=C1CC2CCC(C1)N2C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_112004528	319.422	YQVWJRAXFICWGL-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-051197
O=c1[nH][nH]c(c1)C(NC(=O)c1sc2c(c1)CCCCCC2)C	EMOLS-id_316473829	319.422	RYARSKDZKAWHDK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051198
O=C1NN=CC1CCCNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_258018599,MCULE-8856292214	319.422	RGLZZOBIBAJDRV-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-051199
O=C(C1CC(=O)N(C1)C1CC1)Nc1nc2c(s1)CCCCC2	MCULE-7704767296,PC-id_45864709,EMOLS-id_31889682	319.422	PVDOORZYPJFTEG-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-051200
OC(c1nc[nH]c1)CNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_319278788	319.422	UXZGMGZTVWTTMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051201
O=C(c1oc(nc1C)C(C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_100805267,MCULE-3998142033	319.422	GEBAAWUNTOHZFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051202
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OC[C@@H](NC(=O)c1cc2c(s1)CCCCC2)Cc1c[nH]cn1	EMOLS-id_320204113,MCULE-7622954447	319.422	QAOHPILILGKVIN-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051204
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O=C(N1CCCc2c(C1)cco2)NCCc1sc(nc1C)C	EMOLS-id_318698173	319.422	LVBKGINHNITCRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051208
O=C(N1CCCc2c(C1)ccs2)CCc1onc(n1)C(C)C	EMOLS-id_318126382	319.422	HHYGZGZEJKJUSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051209
O=C(N1CCCc2c(C1)ccs2)NCCc1c(C)noc1C	EMOLS-id_318185409	319.422	QYGBHBUBBKAOEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051210
O=C(N1CCCc2c(C1)ccs2)NCCc1nc(oc1C)C	EMOLS-id_318451588	319.422	KIMXKDSSUHETMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051211
O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CC(=O)N(C2CC2)C1	CoCoCo_4546193,PC-id_36816090,ZINC22_29609681	319.422	PVDOORZYPJFTEG-SNVBAGLBSA-N	00100010100000000101100000000010000000000000000000000000	31-01-051212
O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CC(=O)N(C2CC2)C1	ZINC22_29609682,CoCoCo_4546192,PC-id_36816091	319.422	PVDOORZYPJFTEG-JTQLQIEISA-N	00100010100000000101100000000010000000000000000000000000	31-01-051213
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S(c1n2CCCCCc2nn1)Cc1c(OC)ccc(OC)c1	PC-id_8379683	319.422	DHIRVSQTYRIEOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051215
C1CCc2c(CC1)sc(c2C#N)N=Cc1cc2ccccc2[nH]1	PC-id_137139989	319.423	PYZOCUQQKYDOHH-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-051216
C1CCc2c(CC1)sc(c2C#N)/N=C/c1cc2ccccc2[nH]1	PC-id_137243504	319.423	PYZOCUQQKYDOHH-CIAFOILYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-051217
c1ccc(cc1)C(c1ccccc1)C[N@@H+]1CCn2c(CC1)nnc2	GD-id_ZINC15005964	319.423	MNAAQHGWSSTPQI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-051218
c1(C#N)c2CCCCCc2sc1N=Cc1c2ccccc2[nH]c1	MCULE-2038347322	319.423	NVGSYAGWFGOCKX-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-051219
Cc1ccccc1c1ccc(cc1)C[N@H+]1CCn2c(CC1)nnc2	GD-id_ZINC11871803	319.423	VUMQQHLEUGODAB-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-051220
N#Cc1c2CCCCCc2sc1/N=C/c1c[nH]c2ccccc12	EMOLS-id_26255069,STOCK1S-70281,PC-id_135648111,ZINC22_501855	319.423	NVGSYAGWFGOCKX-WSDLNYQXSA-N	00000000100000100100000001100010000000000000000000000000	31-01-051221
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s1c2CCCCCc2c(c1NC=C1c2c(N=C1)cccc2)C#N	PC-id_6746473	319.423	CKFAUGMBOLFSEG-UHFFFAOYSA-N	00000011100000100100000000001010000000000000000000000000	31-01-051224
C1CCn2c(CC1)ncc2CNc1nnc(s1)C1CCCO1	MCULE-8605834155,EMOLS-id_318684968	319.425	ZWWSUNXNIIANKT-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-051225
c1(C(=O)NCc2c3CCCCCc3[nH]n2)sc(nc1CC)N	EMOLS-id_43194019,PC-id_56873295,ZINC22_71752230,MCULE-1704762454	319.425	VCPGTUNXZSIVEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051226
c1(C(=O)NCc2c(CC)nc(C)s2)cc2n(CCCNC2)n1	MCULE-6734704974,ZINC22_65423657,EMOLS-id_32407598,PC-id_50968960	319.425	SBUCNWSKYMJDMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051227
c1(C(=O)NCc2sccn2)cc2n(CCCN(C(C)C)C2)n1	EMOLS-id_36459787,ZINC22_67909812,MCULE-2607874528,PC-id_56719659	319.425	HMUOMVRXHUCLOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051228
c1(C(=O)NCC(C)c2scc(C)n2)nnc2CCCCCn12	EMOLS-id_177429934,MCULE-6550037507	319.425	XCUQVSKMLKQJNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051229
c1csc(CN2CCCn3nnc(COCC4CC4)c3C2)n1	ZINC22_96058842,EMOLS-id_46147981,PC-id_97381499,CHEMBL3551687	319.425	QESCYVUVXWUYRS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-051230
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c1(CN(CCO)Cc2cc3c(CCCCC3)s2)nccn1C	PC-id_39767250,MCULE-8093069392,CoCoCo_1286290,EMOLS-id_25610431,CoCoCo_1286291,ZINC22_32529606	319.465	UFNDRXCDADHQKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051504
Cc1ccc(CN2CCCn3cnc(COC(C)C)c3C2)s1	EMOLS-id_46148387,ZINC22_96059048,PC-id_97381701	319.465	GWDYTRNEIKQRRC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051505
CNC1C(=O)N(CCc2c1scn2)CC1CC2CC1CCC2	SCHEMBL14171145,PC-id_23554827	319.465	KWEWPVWUTHCKCB-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-051506
CNC1C(=O)N(CCc2c1scn2)CC1CC2CCC(C1)C2	SCHEMBL14171152,PC-id_23554799	319.465	UHSFJNAYIKCOGH-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-051507
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O=C(N1CCCCc2c1sc(n2)C)C1CCCC2N1CCC2	EMOLS-id_320216047,MCULE-5152029581	319.465	QXMDYHVHVLHVNK-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-051512
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s1c2CCCCCc2c(c1NC(=O)CN(CCCC)C)C#N	PC-id_31477906	319.465	QEXVYTHHUDHGMC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051516
Cc1sc(nc1C)C(NCc1nnc2n1CCCCC2)(C)C	MCULE-5966605275,EMOLS-id_318013743	319.468	SWUAJDLPZUPTHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051517
CC(c1cnc(s1)CNCc1nnc2n1CCCCC2)(C)C	EMOLS-id_318273548,MCULE-7136603964	319.468	SPSTXCWWHNIHQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051518
CCc1scc(n1)CNC(c1nnc2n1CCCCC2)CC	EMOLS-id_318070493	319.468	QLALZKVFPKAVIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051519
CC(C)c1nc(CNCCc2nnc3n2CCCCC3)cs1	MCULE-1566905972,ZINC22_67698186,PC-id_72024228,EMOLS-id_48998110	319.468	FAQKZUSXJJGDKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051520
CCC(c1nnc2n1CCCCC2)NC(c1csc(n1)C)C	EMOLS-id_317983214	319.468	CEJCQPQCRWEGKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051521
CC(C)N(C)Cc1cnc2CCN(Cc3nccs3)CCn12	PC-id_97466986,EMOLS-id_44328613,ZINC22_96196841	319.468	RKNMDBXAIZAPSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051522
CC(C)N(C)Cc1nnc2CCN(Cc3cccs3)CCn12	PC-id_97381602,ZINC22_96058946,EMOLS-id_46148189	319.468	DVISKKPBRGMANO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051523
CC(C)N(C)Cc1nnc2CCN(Cc3ccsc3)CCn12	EMOLS-id_46148193,ZINC22_96058948,PC-id_97381604	319.468	KHMBZWNECAAERY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051524
CCN(CC)Cc1cnc2CCN(Cc3nccs3)CCn12	PC-id_97466969,EMOLS-id_44328579,ZINC22_96196824	319.468	FQBQUGRRTWXAGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051525
CCN(CC)CC1CN(Cc2nccs2)Cc2nccn2C1	CHEMBL3554741,EMOLS-id_44326119,PC-id_118746152	319.468	BYZKJNCLRTUWFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051526
CCN(CC)C[C@H]1CN(Cc2nccs2)Cc2nccn2C1	PC-id_97462723,ZINC22_96188280	319.468	BYZKJNCLRTUWFE-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051527
CCN(CC)C[C@@H]1CN(Cc2nccs2)Cc2nccn2C1	PC-id_97462724,ZINC22_96188281	319.468	BYZKJNCLRTUWFE-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051528
[Si](OC1c2ncn(c2NC=NC1)CCC#N)(C(C)(C)C)(C)C	PC-id_85409652	319.477	CFJLXYBVJVZUPY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-051529
[Si](O[C@H]1c2ncn(c2NC=NC1)CCC#N)(C(C)(C)C)(C)C	PC-id_11130984	319.477	CFJLXYBVJVZUPY-GFCCVEGCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-051530
CC(c1ccc(c2-c(c1)c(C)cc2C=CC=C1[S+]=CC=C1)C)C	PC-id_102101882	319.483	TWASPBNFQQPWCB-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-051531
c1(C(=O)NCCCCCCCCCC)c2CCCCCc2[nH]n1	EMOLS-id_335021860,MCULE-1481297243	319.485	PLFBMFRINJJLKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051532
s1c2c(CCCCCC2)cc1C(=O)N1CC[NH+](CC1)CC=C	PC-id_8066642	319.485	INMZQPSWFTVWDO-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-051533
s1c2CCCCCCc2cc1C(=O)N(Cc1sccc1)C	PC-id_52436325	319.485	MOUGTJDUWRCGQW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051534
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CC1CN(CCCN2CCN(CC2)C(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319100729	319.488	YTESKOVDGWTPPI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-051536
CCN(Cc1cnc2n1CCN(CC2)CCN1CCCC1)CC	PC-id_97466982	319.488	VQWFAMSKIPWSQS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-051537
CC(NC(c1nnc2n1CCCCC2)C)CC1CCCCCN1	PC-id_121677314	319.488	KNQKXONJXWLELV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051538
CN(C(C)C)Cc1cnc2n1CCN(CC2)CCN1CCCC1	PC-id_97466991	319.488	KGYGIHZTHWXBDA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-051539
CN(CC[C@H]1CN(C)CCN1C)Cc1n[nH]c2c1CCCCC2	CoCoCo_1224067,CoCoCo_1224075,CoCoCo_1224078,CoCoCo_1224076,CoCoCo_1224069,ZINC22_20448767,CoCoCo_1224068,CoCoCo_1224070,CoCoCo_1224077	319.488	BEXQGSLPGWOQFR-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-051540
CN(CC[C@@H]1CN(C)CCN1C)Cc1n[nH]c2c1CCCCC2	CoCoCo_1224079,CoCoCo_1224082,ZINC22_42484226,CoCoCo_1224071,CoCoCo_1224080,CoCoCo_1224073,CoCoCo_1224081,CoCoCo_1224072,CoCoCo_1224074	319.488	BEXQGSLPGWOQFR-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-051541
NCCCC[C@@H]1N=Cc2c(N(C1)CC(C)C)cn(n2)CC(C)C	PC-id_144019187	319.488	NIYOHNHVMKDXSW-INIZCTEOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-051542
S(c1n2CCCCCc2nn1)CC(c1ccccc1)CS	PC-id_80036439	319.488	PGQDZQNDXXVHFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051543
[Si](OCc1nc2n(c1CC)C=CC(=NC2)C)(C(C)(C)C)(C)C	PC-id_59932303	319.517	NXKIJJBNKHDIKI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-051544
CCc1ccc(s1)CC(c1cc2c(s1)CCCCC2)NC	PC-id_115842615	319.528	PDITXPRPLHALCV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051545
CCCNC(c1ccsc1C)c1cc2c(s1)CCCCC2	PC-id_102842024	319.528	FXNJEOZSVYTWKK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051546
CCCNC(c1csc(c1)C)c1cc2c(s1)CCCCC2	PC-id_104991268	319.528	BUPOUGXMNNVJAB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051547
CCNC(c1cc2c(s1)CCCCC2)CCc1cccs1	PC-id_115860684	319.528	GCEGGGHZITVUCA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051548
CCNC(c1cc2c(s1)CCCCC2)CCc1cscc1	PC-id_115856755	319.528	NUJPUNANXFGZFR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051549
s1c2c(CCCCC2)cc1C(N)c1sc(C(C)(C)C)cc1	PC-id_81634151	319.528	KVSRAGZUAQPBKB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051550
s1c2c(CCCCC2)cc1C(NCC)c1sc(cc1C)C	PC-id_81163534	319.528	RDOMIGJZOXIYGP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051553
s1c2c(CCCCC2)cc1C(NCCC)c1sc(cc1)C	PC-id_43494095	319.528	HBNQBTIHKYOYCH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051554
s1c2c(CCCCC2)cc1C(NCCC)c1sccc1C	PC-id_63503157	319.528	DABQBBNMWHRNCI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051555
s1c2c(CCCCC2)cc1C(NCCC)Cc1ccsc1	PC-id_63528937	319.528	QLONYRPONMUVLI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051556
s1c2c(CCCCC2)cc1C(NCCC)Cc1sccc1	PC-id_63527738	319.528	KCQSCEXGSCJMRB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051557
O=C(N1CCCc2c(C1)cco2)c1cc(Cl)c2c(c1)OCO2	EMOLS-id_99323158	319.74	LGZCJPSFYKEEKY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-051558
COC(=O)c1cc(c2-c1ccc(cc2)Cl)CN1CCOCC1	PC-id_145989367	319.783	UCOGNAOQFMZOGP-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-051559
OC(C(=O)N1CCCc2c(C1)cco2)Cc1ccccc1Cl	EMOLS-id_318550757	319.783	MNYRUVUKLOQNPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051560
Cc1ccc(Cl)cc1OCC(=O)N1CCCc2n[nH]cc2C1	EMOLS-id_316953173,MCULE-2387204876,ZINC22_824791549	319.786	LYMCITJZXIDRTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051561
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1ccc(cc1)Cl	EMOLS-id_320215783,MCULE-8378790109	319.786	QFIHSUXUCGUEKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051562
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1ccccc1Cl	MCULE-4285514954,EMOLS-id_319946879	319.786	SEDVQLRQEBCTTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051563
CCNc1ncc(cc1Cl)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_318701369,MCULE-3875781548	319.786	UXYYTJLAFAVRHT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-051564
Clc1ccc(nc1)[C@@H](NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_97999802	319.786	NSOOHWCMWIVJJO-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-051565
Clc1c(C(O)c2[nH]c3CC(CNC(=O)c3n2)(C)C)cccc1	PC-id_50980069	319.786	DNRRICOUUBDEKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051566
COc1ccc(c(c1)Cl)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319697172	319.786	QCOULPDBKRKPGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051567
COc1ccc(cc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)Cl	EMOLS-id_319223009	319.786	YEUCGSSTAQNYFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051568
COc1ccc(Cl)cc1NC(=O)c1n[nH]c2CCCCCc12	MCULE-6257184143,EMOLS-id_323253688	319.786	XOJVOEIEZMUESD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051569
COc1cc(Cl)ccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318774858	319.786	UETNRAMWRSPMER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051570
COc1cc(Cl)cc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319916074,MCULE-5200452587	319.786	KASDRNOAJWZTBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051571
COc1ccc(NC(=O)c2n[nH]c3CCCCCc23)cc1Cl	MCULE-8222859311,EMOLS-id_323248830	319.786	BPYHMWZHYBOOGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051572
COCc1ncn2c1CN(C(=O)c1cccc(Cl)c1)CCC2	ZINC22_2055713824,EMOLS-id_313728984	319.786	OZAZQILBRVZHGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051573
COC(=O)C1CCc2n(CC1)c(nn2)Cc1ccc(cc1)Cl	MCULE-9684032323,EMOLS-id_313166659	319.786	VPIXDZOUDYFXFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051574
COC(=O)[C@@H]1CCc2nnc(Cc3ccc(Cl)cc3)n2CC1	ZINC22_865215683	319.786	VPIXDZOUDYFXFW-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051575
COC(=O)[C@H]1CCc2nnc(Cc3ccc(Cl)cc3)n2CC1	ZINC22_865215684	319.786	VPIXDZOUDYFXFW-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051576
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Cc1ccc(c(c1)Cl)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319556450	319.789	BLYKGZKKPRPKJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051578
Cc1ccc(c(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)Cl	EMOLS-id_318782285	319.789	MZZOVBYETJMLPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051579
CC1CN(CC(=O)Nc2ccc(cn2)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319669645	319.789	WGYKCESKIRYPKQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-051580
CCc1ncc(c(n1)C(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_318879414	319.789	NGEXARPYFAKDFU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-051581
CCc1ncc(c(n1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)Cl	EMOLS-id_320078442,MCULE-6213785482	319.789	GFEOECCZNVSNDA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-051582
CCNc1ncc(cc1Cl)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319701923	319.789	TYXBGEHRQKGWKO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-051583
Clc1ccc(cc1)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319212856	319.789	QEMLAZAAEUWZPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051584
Clc1ccc(c(c1)C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319262815	319.789	KQCLOKSBUJFXEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051585
Clc1cc(CNC2CCn3c(CC2)nnn3)c2c(c1)CCO2	MCULE-2674975311,EMOLS-id_102028304	319.789	MTLSFQYRCSCHDM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-051586
Clc1ccc(NC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51185980	319.789	KLJCWWPQBWHNBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051587
Clc1cc(NC(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_51185981	319.789	IFCNCOIXODNDOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051588
Clc1c(NC(=O)NCc2n3CCCCCc3nn2)cccc1	PC-id_51185991	319.789	MRJAUEWGQHSNDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051589
Nc1cc2n(n1)CCCN(C2)C(=O)Nc1c(C)cccc1Cl	MCULE-6676594758,EMOLS-id_319872911	319.789	AJIDVQJPQWMYLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051590
Nc1ccc(c(c1)Cl)C(=O)NCc1nnc2n1CCCCC2	PC-id_119833828	319.789	ZXXNBLKPSZVQAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051591
O=C(c1cc(C)c(cc1C)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102177902	319.789	NFUWFBKQIDNZMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051592
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(c(c1)N)Cl	EMOLS-id_320257725,MCULE-9184723495	319.789	UTMQMWQWXZWIAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051593
O=C(N1CCCc2c(C1)cnn2C)Nc1cncc(c1C)Cl	EMOLS-id_101860006	319.789	DLUJSFWXXQIVEG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-051594
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc(c(c1)Cl)C	EMOLS-id_319633363	319.789	NZWZOPJHDVUXHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051595
O=C(N1CCCn2c(C1)cc(n2)N)Nc1cccc(c1Cl)C	MCULE-1268738191,EMOLS-id_320180552	319.789	KTKVUHSOHBCDEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051596
O=C(NCCc1nnc2n1CCCCC2)c1cncc(Cl)c1	EMOLS-id_320381535,ZINC22_295810453,MCULE-1449212537,PC-id_139013348	319.789	TYWXJAITQWFCTC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-051597
Clc1ccc(C(=O)CN2c3c(scc3)CCCC2=O)cc1	PC-id_63749505	319.806	SSRDADANJASYGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051598
Clc1cc(C(=O)CN2c3c(scc3)CCCC2=O)ccc1	PC-id_63748634	319.806	LPCDOIWUTLCYRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051599
Clc1c(C(=O)CN2c3c(scc3)CCCC2=O)cccc1	PC-id_63748637	319.806	VDKREYCTJJNWTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051600
ClCCCCn1c2c(S(=O)(=O)N(CCC2=NO)C)cc1	SCHEMBL6830024,PC-id_59977237	319.808	VEYOAYSOGFVBFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051601
ClCCCCn1ccc2c1/C(=N/O)/CCN(S2(=O)=O)C	SCHEMBL6830023	319.808	VEYOAYSOGFVBFH-GXDHUFHOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051602
CN1CCC(c2c(S1(=O)=O)ccn2CCCCCl)N=O	PC-id_90852886	319.808	VJHTXLVUZFZJPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051603
OC(Cc1cccc(c1)Cl)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319588870	319.829	HYCZBHJMELVHPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051604
Clc1ccc(cc1)C(C(NC1CCn2c(CC1)nnn2)C)C	EMOLS-id_318314938,MCULE-1491874675	319.832	REXYLKFEMASZLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051605
c1(C(=O)NCc2ccccc2Cl)csc2CCCCCc12	CoCoCo_2171513,PC-id_9550371,MCULE-8613313909,EMOLS-id_11329274	319.849	ZJSBHNKQNKGSNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051606
c1(csc2CCCCCc12)C(=O)Nc1ccc(cc1Cl)C	EMOLS-id_16062797,ChEMBL-DNDi_CHEMBLC760-0952,CoCoCo_2171540,MCULE-8323583860,PC-id_20881849	319.849	YBJMRSHSRFTFKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051607
c1(csc2CCCCCc12)C(=O)Nc1c(C)ccc(Cl)c1	PC-id_20881830,MCULE-7071753301,EMOLS-id_16062749	319.849	AUYPLXOLRUWELM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051608
c1(csc2CCCCCc12)C(=O)Nc1ccc(c(Cl)c1)C	MCULE-8723772187,EMOLS-id_16062785,PC-id_20881844,CoCoCo_2171531	319.849	XLULAFDQPGGYSC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051609
Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)c(Cl)c1	PC-id_7926772,CoCoCo_3337258,EMOLS-id_43847742,ZINC22_6272491,MCULE-7061828603	319.849	AQJBGRFFJAHOTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051610
Clc1cc(NC(=O)c2sc3CCCCCc3c2)ccc1C	PC-id_7900474	319.849	QOZPFZKRXQLEQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051611
Clc1c(c(NC(=O)c2sc3CCCCCc3c2)ccc1)C	PC-id_7915116	319.849	LDEUNHKYEBCVJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051612
Clc1cc(NC(=O)c2sc3CCCCCc3c2)c(cc1)C	PC-id_7940923	319.849	NMWXDUFWSGXVPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051613
ClCc1ccccc1NC(=O)c1cc2c(s1)CCCCC2	PC-id_114298234	319.849	UXTDCCLTIWRZBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051614
ClCc1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_114299820	319.849	WDBNIBZUZJDPAC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051615
ClCc1cc(NC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_81752239	319.849	FZLFJOARUAYNPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051616
Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCCCC2	CHEMBL300356,PC-id_44301752	319.849	RYNMMOQFTALBPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051617
Clc1cccc(c1)C=CCC1CNCCc2c1sc(n2)N	PC-id_141557082	319.852	MHEBYUMJLHENCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051618
Clc1ccc(cc1)/C=C/CN1CCc2c(CC1)nc(s2)N	PC-id_19985799,SCHEMBL7285794	319.852	UWMADJUCSRHRKJ-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051619
Clc1cccc(c1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7285290,PC-id_19985948	319.852	BPNJNVZFFABWLU-DUXPYHPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051620
Clc1ccc(C=CCN2CCc3sc(nc3CC2)N)cc1	PC-id_54375921	319.852	UWMADJUCSRHRKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051621
Clc1cc(C=CCN2CCc3sc(nc3CC2)N)ccc1	PC-id_53694442	319.852	BPNJNVZFFABWLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051622
Clc1c(C=CCN2CCc3sc(nc3CC2)N)cccc1	PC-id_53639148	319.852	AEVPVRZIQVLOGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051623
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1Cl	SCHEMBL9872216	319.852	AEVPVRZIQVLOGH-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051624
Cl/C(=C(c1sccc1)/C#N)/c1sc2CCCCCc2c1	PC-id_63399033	319.872	GTMQUODLIYNUJI-VBKFSLOCSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051625
ClC(=C(c1sccc1)C#N)c1sc2CCCCCc2c1	PC-id_76995961	319.872	GTMQUODLIYNUJI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-051626
Cc1ccc(c(c1)Cl)CC(c1cc2c(s1)CCCCC2)N	PC-id_106866865	319.892	NDCSGUQWQXEMGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051627
CC/C(=C(c1nc2c(s1)CCC=C(C=C2)Cl)/C(=C)CC)/C	PC-id_143946197	319.892	QRVQWYQXLLBRHN-CQDAGRSHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-051628
CCNC(c1ccccc1Cl)c1cc2c(s1)CCCCC2	PC-id_115800942	319.892	FCJFQLLKFDFYBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051629
CCNC(c1cccc(c1)Cl)c1cc2c(s1)CCCCC2	PC-id_115811241	319.892	BUSZORFSLCCLPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051630
Clc1cc(C)c(cc1C(c1cc2c(s1)CCCCC2)N)C	PC-id_115483666	319.892	UDMOCHVNLWBJCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051631
Clc1ccc(CC(NC)c2sc3c(CCCCC3)c2)cc1	PC-id_63528609	319.892	GFNHQNTUUXXFME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051632
Clc1c(cc(C(N)c2sc3c(CCCCC3)c2)c(c1)C)C	PC-id_64213107	319.892	YEACWXCWRAYQED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051633
Clc1cc(CC(NC)c2sc3c(CCCCC3)c2)ccc1	PC-id_63528479	319.892	GTOBFRZGFZFNFD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051634
Clc1ccc(C(NCC)c2sc3c(CCCCC3)c2)cc1	PC-id_43488931	319.892	XGJXAGWOHWRGOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051635
Clc1c(CC(NC)c2sc3c(CCCCC3)c2)cccc1	PC-id_63527716	319.892	FYWIXSYFLJGTKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051636
CNC(c1ccc(c(c1)Cl)C)c1cc2c(s1)CCCCC2	PC-id_107562039	319.892	XQWATJDHQVVZKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051637
CCC1=CN=C2C(=C(C1)Cl)C=C(N2)I	PC-id_154980352	319.958	OHNWEUJTGNNTHM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-051638
C=C1CCNC(=O)c2c1c(Br)c([nH]2)Br	PC-id_142965878	319.981	IDJWMFMNYSLSGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051639
CC1=C(C2=CC=CC=C(C2=C1C(=O)C3=CC=CC=C3)OC)C(=O)O	PC-id_153789390	320.105	KJWKLNALRKTXGA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-051640
ICC1OC(=O)c2c(occ2)CCCC1	PC-id_10829480	320.124	RKPIZCGDVYTSDH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051641
C1=CC=COC=CC=CC=CN2C=NC=C2C=NC(=O)C=NC=C1	PC-id_154288703	320.127	VESNWKNRWBOWOC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-051642
C1CC2=NNC(=O)N2CC[C@H]1CC(=O)NCCC3=CC=CS3	PC-id_164642283	320.131	ATZFROMDBYPYNF-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-051643
CC(C1=NN=C2N1CCCCC2)NCC3=CC(=CC(=C3)Cl)O	EMOLS-id_317327129,PC-id_154770855,MCULE-9893469265	320.14	ZIMRHGAUEGJSRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051644
CC1=CC(=C(C(=C1)F)CNC(=O)[C@H]2CCC3=NN=CN3CC2)F	PC-id_164641459,ZINC22_885784442	320.145	GXSYLEMXWIYMLO-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-051645
P(PP)(P)n1nnc2c1C(=O)N(CCC)CC=C2	PC-id_23398338	320.145	SEFQIXOPXDCNLS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-051646
C[C@H]1C[C@@H](/C=C(/CC2=C(C(=CO2)C)C(=O)[C@H]1OC(=O)C)C)OC	PC-id_154831650	320.162	DCFSJMWNJKXQCQ-ONRZKMRBSA-N	00000000100000000110000000000010000000000000000000000000	31-01-051647
C[C@@H]1C[C@H](C=C(CC2=C(C(=CO2)C)C(=O)[C@@H]1OC(=O)C)C)OC	ZINC22_1775964571,PC-id_154792773	320.162	DCFSJMWNJKXQCQ-CDNVCLAFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-051648
CC(C)C1=NN=C(S1)CNC(C)C2=NN=C3N2CCCCC3	PC-id_154770854,MCULE-7398712078,EMOLS-id_317326873	320.178	IUVWJAOESGIHJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051649
FC(F)(F)C(=O)c1c2-c(c(c1)C(=O)C(F)(F)F)ccccc2	CT-id_2230366,PC-id_12592192	320.187	QDZDERGWBBKFPZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-051650
CC(=O)c1c(I)sc2c1CCCCC2	SCHEMBL19320691	320.19	GEIZXPVZHXJTNR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051651
Brc1ccc(Cn2cc3C(O)CCCCc3c2)cc1	PC-id_83207952	320.224	GNDLQMWRJVZBKS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051652
Brc1cc(Cn2cc3C(O)CCCCc3c2)ccc1	PC-id_83208153	320.224	IIXSBCJKEDMOBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051653
Brc1c(Cn2cc3C(O)CCCCc3c2)cccc1	PC-id_83208462	320.224	FQVDBTGIBNPYGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051654
C/C=CC(=C/C=C)C1=NC2=C(N1/C(=C/C=C)/C=CC)CCCCC2	PC-id_155004437	320.225	QSJJCPATJUEQMW-JGPDTELUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051655
CC1(Br)C=Cc2c(C=C1)cc(s2)S(=O)(=O)N	PC-id_144345787	320.226	XMVLWPQDRQCFGI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-051656
Brc1ccc(cc1)Cn1ncc2c1CCCCC2N	PC-id_107384484	320.228	HYEHEIQKJWNYHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051657
Brc1cccc(c1)Cn1ncc2c1CCCCC2N	PC-id_107384487	320.228	DYCQNBKTEDTWEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051658
Brc1ccccc1Cn1ncc2c1CCCCC2N	PC-id_107384490	320.228	SENVLNSXDSKFKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051659
Brc1ccc(nc1)Cn1cc2c(c1)CCCCC2N	PC-id_104801385	320.228	RANGQMNGFISJQF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-051660
Brc1cncc(c1)Cn1cc2c(c1)CCCCC2N	PC-id_104801386	320.228	SLPLEAHOWBYRFC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-051661
CCOC(=O)c1cc2n(c1)CCCNC2OC(=O)C(F)(F)F	PC-id_67438052,SCHEMBL2522514	320.264	RPEQMNSPZBXNCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051662
OC(=O)C(CC(F)(F)F)NC(=O)c1noc2c1CCCCC2	PC-id_121878660	320.264	JJUSICPOYAXREV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051663
ClCCN(C(=O)c1sc2CCCCCc2c1)CCCl	PC-id_81935136	320.278	BGDMFONLFNOWDB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051664
ClCC(NC(=O)c1sc2CCCCCc2c1)(CCl)C	PC-id_81966526	320.278	KKZIHCOPIMUKDX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051665
COc1ccc(c(c1)[N+](=O)[O-])Nc1nc2-c(c1C#N)ccccc2	PC-id_101582107	320.302	MGORXVFPUZWROD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-051666
N#Cc1c(sc2c1CCCCC2)NC(=O)C(C(F)F)(F)F	PC-id_103737533	320.306	HLGBHMQAUSXOQB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051667
CC1c2nnc(n2CCCN1C(=O)OC(C)(C)C)C(F)(F)F	PC-id_86609038	320.311	BPVVSPHOXREXNV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051668
CC(C(=O)NCc1nnc2n1CCCCC2)OCC(F)(F)F	MCULE-2254273060,EMOLS-id_31937718,PC-id_45819475	320.311	USXIEODUCMXOQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051669
C[C@H](NC(=O)COCC(F)(F)F)c1nnc2n1CCCCC2	ZINC22_89913887,PC-id_97089812	320.311	SCFRAIDYFAIJMT-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-051670
C[C@@H](NC(=O)COCC(F)(F)F)c1nnc2n1CCCCC2	ZINC22_89913888,PC-id_97089813	320.311	SCFRAIDYFAIJMT-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051671
C[C@H](OCC(F)(F)F)C(=O)NCc1nnc2n1CCCCC2	PC-id_93615853,ZINC22_40523499,CoCoCo_4881599	320.311	USXIEODUCMXOQY-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-051672
C[C@@H](OCC(F)(F)F)C(=O)NCc1nnc2n1CCCCC2	PC-id_93615855,CoCoCo_4881600,ZINC22_40523502	320.311	USXIEODUCMXOQY-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051673
FC(F)(F)COCC(=O)NC(c1n2CCCCCc2nn1)C	EMOLS-id_45751956,PC-id_71895506,MCULE-4331739064	320.311	SCFRAIDYFAIJMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051674
Fc1cc2/C(=C/c3[nH]c(c4c3ccc(=O)cc4)C)/C(=O)Nc2cc1	SCHEMBL3285941,PC-id_25264340	320.317	CTJQYDJDOJNICW-SXGWCWSVSA-N	00000010100000100110000000001010000000000000000000000000	31-01-051675
Fc1cc2C(=Cc3[nH]c(c4c3ccc(=O)cc4)C)C(=O)Nc2cc1	SCHEMBL3285944,PC-id_68581503	320.317	CTJQYDJDOJNICW-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-051676
CN(C(=O)c1ccc(c(c1)O)F)Cc1nnc2n1CCOCC2	EMOLS-id_319576694	320.319	IDTJJULVWPWZEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051677
Fc1ccc(OCC(=O)NC2CCc3n[nH]c(=O)n3CC2)cc1	EMOLS-id_50590484,PC-id_91910803,MCULE-4875427037	320.319	OWCFNGWYTQMDTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051678
O=C(NCc1cnn(CCF)c1)c1coc2c1C(=O)NCCC2	PC-id_136567170,MCULE-9814999601,ZINC22_888335250,EMOLS-id_316961217	320.319	SXPRJYKKGYMJCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051679
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(=O)[nH]c(c1)O	PC-id_90625525	320.324	UEAUUSDBEUWECR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-051680
c1(NC(=O)C(F)(F)F)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_4003962,TIMTEC269638,MCULE-4844923019,ZINC22_4614320,PC-id_4150075,CoCoCo_6787375	320.331	KQILJDDOXGLQBN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051681
O=C(N1CCCc2c(C1)cco2)NCCc1cccc(c1F)F	EMOLS-id_318604801	320.334	WWBJEGGJXRLFOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051682
Cc1cc(c(c(c1)F)CNC(=O)C1CCc2nncn2CC1)F	EMOLS-id_316986298,MCULE-2582739258,PC-id_136566176	320.337	GXSYLEMXWIYMLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051683
Fc1cc(C(=O)NCCc2n3CCCCCc3nn2)cc(F)c1	PC-id_51307472	320.337	FKTALEKOPQHUBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051705
Cc1cc(F)c(c(c1)F)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_318707972	320.337	YLHOJVZWRHNWFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051684
Cc1cc(F)c(CNC(=O)[C@@H]2CCc3nncn3CC2)c(F)c1	ZINC22_885784441	320.337	GXSYLEMXWIYMLO-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051685
CC1CN(CC(=O)Nc2ccc(cc2F)F)Cc2c(C1)[nH]nc2	EMOLS-id_320181568,MCULE-5200519374	320.337	ZNDSDDXTFZSCNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051686
CC1CN(CC(=O)Nc2ccc(c(c2)F)F)Cc2c(C1)[nH]nc2	MCULE-4002376613,EMOLS-id_319945159	320.337	MYUYPIRXQNDCNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051687
CC(c1c(F)cncc1F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318645862	320.337	JEGAZVRFBCYTKM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-051688
C[C@@H](NC(=O)c1ccc(F)cc1F)c1nnc2n1CCCCC2	ZINC22_29252955	320.337	UBESYIWAYXHBDJ-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051689
C[C@H](NC(=O)c1ccc(F)cc1F)c1nnc2n1CCCCC2	ZINC22_29252961	320.337	UBESYIWAYXHBDJ-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-051690
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCCCC2	ZINC22_54536931,PC-id_94555507	320.337	DJCKJRZBIRKHHY-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-051691
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCCCC2	ZINC22_54536933,PC-id_94555508	320.337	DJCKJRZBIRKHHY-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051692
C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1nnc2n1CCCCC2	ZINC22_29253716	320.337	VDNYQBBUDDUCAB-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051693
C[C@H](NC(=O)c1cc(F)cc(F)c1)c1nnc2n1CCCCC2	ZINC22_29253723	320.337	VDNYQBBUDDUCAB-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-051694
CN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc(c(c1)F)F	EMOLS-id_319743859	320.337	UNYNZOQHJVAJGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051695
CN(C(=O)C1CCn2c(CC1)nnc2)Cc1c(F)cccc1F	EMOLS-id_319340275	320.337	DHMXPRYWMGNOLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051696
Fc1ccc(c(c1)CNC(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101730972	320.337	SMKCEVODDNSULR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051697
Fc1ccc(c(c1)C(=O)NC(c1nnc2n1CCCCC2)C)F	PC-id_71900147,MCULE-8009951647,EMOLS-id_45741855	320.337	DJCKJRZBIRKHHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051698
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Fc1ccc(c(c1)F)C(=O)NC(c1nnc2n1CCCCC2)C	PC-id_53503700,EMOLS-id_35694492,MCULE-1171586228	320.337	UBESYIWAYXHBDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051700
Fc1cc(CCNC(=O)C2CCn3c(CC2)nnc3)cc(c1)F	MCULE-6240185186,EMOLS-id_320056292	320.337	OAEGYDLOUBHFNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051701
Fc1ccc(NC(=O)NCc2n[nH]c3CCCCCc23)c(F)c1	EMOLS-id_232875717,ZINC22_828059760,MCULE-6897945539	320.337	XJBOWALJQGCDOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051702
Fc1cc(C(=O)NC(c2n3CCCCCc3nn2)C)cc(F)c1	EMOLS-id_35688576,MCULE-7807881249,PC-id_53503403	320.337	VDNYQBBUDDUCAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051703
Fc1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1F	PC-id_51307491	320.337	SJMVNWRDIGOUIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051704
Fc1c(C(=O)NCCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_52181427	320.337	PGLPWGHTRRHXBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051706
O1C(C(O)C(O)C(O)C1OCc1cc2-c(c1)ccccc2)CO	PC-id_76138345	320.337	SRGKRKKHEOEIRJ-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-051707
O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)C1OCc1cc2-c(c1)ccccc2)CO	SCHEMBL8638387,PC-id_54320444	320.337	SRGKRKKHEOEIRJ-VDWCLKJHSA-N	00000010100010000110000000000010000000000000000000000000	31-01-051708
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O=C(C1CCn2c(CC1)nnc2)NCCc1ccc(c(c1)F)F	EMOLS-id_319433448	320.337	YGJQLVXMVMVJJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051713
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O=C(C(c1ccccc1)(F)F)NCc1nnc2n1CCCCC2	EMOLS-id_318453933	320.337	KTNCQWCCDIODAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051715
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O=C(Cc1c(F)cccc1F)NCc1nnc2n1CCCCC2	EMOLS-id_317921500	320.337	ZDSIPLJCOYTJOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051717
O=C(C(c1c(F)cccc1F)N)N1CCCc2c(C1)cnn2C	EMOLS-id_318343263	320.337	AQMBXLUEDIPWCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051718
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1C)F)F	EMOLS-id_101917949	320.337	LJHABAXPVYKWNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051719
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)C(F)F	EMOLS-id_101972650	320.337	VPBXRHJMUFLZOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051720
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O=C(N1CCCc2c(C1)cnn2C)NCc1ccc(c(c1)F)F	EMOLS-id_101726757	320.337	ZFTAQHBEDNNHAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051722
O=C(NCCc1nnc2n1CCCCC2)c1cc(F)ccc1F	ZINC22_54536086	320.337	LDJXYYYQGAIJER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051723
COc1ccc(cc1)C(=O)c1c(C)c(c2-c1ccccc2)C(=O)O	PC-id_139771642	320.339	ZNMWBXOPSJAELE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-051724
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COC(=O)/C=C/CNC(=O)c1coc2c1C(=O)NCC(C)(C)C2	PC-id_146141817,ZINC22_1875272929	320.34	IXAZTAPENIOUSJ-SNAWJCMRSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051727
NC(=NCc1nnc2n1CCCCC2)Nc1cc(F)ccc1F	PC-id_121773039	320.34	VMXCTWYLLAYMKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051728
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C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Nc1ccc(cc1)F	PC-id_90625537	320.342	ZGQYDZLSSIWVBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051730
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Nc1ccccc1F	PC-id_90625544	320.342	YHUJEKDIXCJVCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051731
C1C=Cc2c(CC=C1N)cc([nH]2)C(=O)c1cc2c(o1)ccc(c2)O	SCHEMBL20762562,PC-id_137516916	320.342	RIGCMGZLJDMNIP-UHFFFAOYSA-N	00000000100000100110000001000010000000000000000000000000	31-01-051732
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CCOC(=O)c1c(c(c2-c1ccccc2)N=Nc1ccccc1)O	PC-id_136858969	320.342	IJXCNKZGZDHCOK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-051734
COC(=O)c1cc2-c(c1C(c1ccccn1)C(=O)N)ccccc2	PC-id_90465458,SCHEMBL16105733	320.342	RPEIHXRVJILBLA-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-051735
OC(=O)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077151	320.342	ALIWOAJQUVLIOH-UDWIEESQSA-N	00000010100000110110000000000010000000000000000000000000	31-01-051736
Cc1cc(CC(=O)N2CCCn3nc(cc3C2)C(O)CO)on1	MCULE-5482320834,EMOLS-id_55642214,PC-id_91773945	320.344	VBPBGXKIYPWGAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051737
OCC(c1ccco1)NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_109944680	320.344	UCRRSRJMIPAYGK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-051738
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1onc(c1)C)O	PC-id_99974155	320.344	VBPBGXKIYPWGAX-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051739
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1onc(c1)C)O	PC-id_99974156	320.344	VBPBGXKIYPWGAX-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051740
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C1CCc2nnc(n2CC1)C(C#N)C(=O)c1coc2ccccc12	PC-id_136525531,MCULE-4388851740,EMOLS-id_316821168	320.345	DLJQQAUEJOXLND-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-051742
N#C[C@H](C(=O)c1coc2ccccc12)c1nnc2n1CCCCC2	ZINC22_73089406	320.345	DLJQQAUEJOXLND-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-051743
N#C[C@@H](C(=O)c1coc2ccccc12)c1nnc2n1CCCCC2	ZINC22_73089407	320.345	DLJQQAUEJOXLND-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-051744
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O=C(C1N=CC=CNC#C1)CCC(=O)c1n[nH]c2c1C=CC=CC2	SCHEMBL21441416	320.345	ZXMNYHHOKLSJTA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-051746
Cn1cc(nc1)C(=O)N1CCc2nn(c(=O)n2CC1)CCOC	PC-id_91922422,MCULE-6135766510,EMOLS-id_50589985	320.347	OIUWACZYHZRROZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051747
COCc1onc(n1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_100325360	320.347	YIKHEGRRBQMLIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051748
N1C(=O)C(NC1=O)CCC(=O)NCc1nnc2CCCCCn12	EMOLS-id_44722734,PC-id_70745711,MCULE-4169086543	320.347	OHNURHQNHUVHGU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-051749
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c12CN(CCCn1nc(C#N)c2)Cc1onc(c2cccnc2)c1	MCULE-1420858027,EMOLS-id_316264537,ZINC22_1506429341	320.349	SHQKLGHRZAZVAZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-051753
c12CN(CCCn1nc(C#N)c2)C(=O)Cn1cc2c(cccc2)n1	EMOLS-id_177457428,ZINC22_584897107,MCULE-5732110886	320.349	JWIKVRBIMHUAOF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-051754
c1(cn2c(c(C)ccc2)n1)C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_426548717,EMOLS-id_82726749,MCULE-9424607042,PC-id_119068607	320.349	BWDCDBXMPJTARW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-051755
c1(C(=O)N2CCCn3nc(C#N)cc3C2)c(C)n2c(cccc2)n1	MCULE-5095236129,EMOLS-id_330478399,ZINC22_1857733210	320.349	ZRVYLXBYBBVTGC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-051756
Cn1ccc2ccc(C(=O)N3CCCn4nc(C#N)cc4C3)nc12	EMOLS-id_337662911,ZINC22_2100477123	320.349	HWNAVURFLOHTGR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-051757
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FC1(F)CCC(CC1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319225828	320.359	SZSOYQZJBSQZLU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-051760
Fc1ccc(Cn2c3-c(c(c2=O)C#N)cccc(C(C)C)c3)cc1	PC-id_10426148,SCHEMBL9249959	320.36	WYMXKWXNDDNPSV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-051761
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FC1(CC1)C(=O)N1CCCn2ncc(C(=O)N3CCCC3)c2C1	ZINC22_1565544167,EMOLS-id_313771725	320.362	UHKHWRSELRBNON-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-051763
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c1(sc2c(CCCCC2)n1)NC(=O)c1occ(c(=O)c1)OC	MCULE-1288086273,EMOLS-id_36795969,PC-id_60178624,STOCK7S-26441,ZINC22_72402585,EMOLS-id_46566187	320.364	JSPJAMFLEPUZIH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-051765
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c1(C(=O)Nc2ccsc2C(=O)OC)nnc2CCCCCn12	ZINC22_1875250829,MCULE-3819344161,EMOLS-id_331145267	320.367	KNVLGQYLBCSXSS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051771
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CCOC(=O)N1CCN(CC1)C(=O)c1n[nH]c2CCCCCc12	MCULE-7863455954,EMOLS-id_323252158	320.387	FMEQFDYOEBVPOK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-051863
CC(=O)N1Cc2cncn2C[C@H](COCC(=O)N2CCCC2)C1	PC-id_97487268,ZINC22_96220401	320.387	DGABTXGVRCVABE-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-051864
CC(=O)N1Cc2cncn2C[C@@H](COCC(=O)N2CCCC2)C1	PC-id_97487270,ZINC22_96220403	320.387	DGABTXGVRCVABE-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-051865
CC(=O)N1Cc2nccn2C[C@@H](COCC(=O)N2CCCC2)C1	PC-id_97462387,ZINC22_96187939	320.387	GUHALRGAKNJCEC-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-051866
CC(=O)N1Cc2nccn2C[C@H](COCC(=O)N2CCCC2)C1	ZINC22_96187938,PC-id_97462386	320.387	GUHALRGAKNJCEC-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-051867
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CC(=O)N1CC(COCC(=O)N2CCCC2)Cn2ccnc2C1	EMOLS-id_44325971	320.387	GUHALRGAKNJCEC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-051870
CC(=O)N1CC(COCC(=O)N2CCCC2)Cn2cncc2C1	EMOLS-id_49238859	320.387	DGABTXGVRCVABE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-051871
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c1ccc(cc1)Oc1cccc(c1)CN1CCn2c(CC1)nnc2	PC-id_28957633,ChEMBL-DNDi_CHEMBL24844283,CoCoCo_1248785,CoCoCo_1248786	320.388	SCJXDAVOGKZJIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051892
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)n1cccc1	EMOLS-id_319391551	320.388	ZVLXFJMBWHOLDM-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-051895
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1n1cccc1	EMOLS-id_319946925,MCULE-1782228896	320.388	NODFCCBBJAJADJ-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-051896
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N#CC(=CC=Cc1ccccc1OC)c1nnc2n1CCCCC2	PC-id_3680657,EMOLS-id_26092937	320.388	OSGJZUDHBLVUPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051908
O(c1c(/C=C(c2n3CCCCCc3nn2)/C#N)cccc1)CC=C	PC-id_60459751	320.388	RKXNMDDOXGODPC-SSZFMOIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051909
O(c1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1)CC=C	PC-id_76862591	320.388	RKXNMDDOXGODPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051910
O(c1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1)CC=C	PC-id_8275442	320.388	RKXNMDDOXGODPC-DTQAZKPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051911
O(c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1)CC=C	PC-id_4815931	320.388	AKZNOHVEUNVVAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051912
O(c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)CC=C	PC-id_6214660	320.388	AKZNOHVEUNVVAC-DTQAZKPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051913
c12nnnn1CCCCC2C(=O)N1CCC(CC1)N1CC(C1)O	MCULE-6400459301,EMOLS-id_337701593	320.39	JOZCVJGKTDCSLE-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-051914
CC1OC(CN(C1)C(=O)NC1CCn2c(CC1)nnn2)C1CC1	EMOLS-id_102168988	320.39	CSNFKWOYDKMYQC-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-051915
CC(CC1C(=O)NCCN1C(=O)C1CCn2c(CC1)nnn2)C	PC-id_121582669	320.39	OGQMAGUNHWZBLV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-051916
CC(CN1CCCC1=O)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318917202	320.39	GJUPTDPOZNJZDT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-051917
CCn1cc(cn1)CN1CCc2nn(c(=O)n2CC1)CCOC	PC-id_91922434	320.39	TXTSONQOHWFGJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051918
CN1C(C)C(C)N(C(C1=O)C)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_316724160	320.39	IJSXBNXUAQNNFF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-051919
CN(CC(=O)N1CCc2n(CC1)c(nn2)CN1CCCC1=O)C	PC-id_97405781	320.39	JOZIRVSPLRGHAB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-051920
CNC(=O)C1CCCN1C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_110339303	320.39	IBMHNZSOCBSKPK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-051921
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O=C([C@@H]1CCCCn2nnnc12)N1CCC(N2CC(O)C2)CC1	ZINC22_2100547523	320.39	JOZCVJGKTDCSLE-CYBMUJFWSA-N	00001000100010000101100000000010000000000000000000000000	31-01-051928
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FC(=C(C1CC1)C)C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_278596125	320.405	HAHXQCDMLORYTN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-051950
c1(NC(=O)CCCC(=O)O)sc2c(CCCCCC2)c1C#N	PC-id_4094174,ZINC22_5725567,MCULE-7125278526,EMOLS-id_4004286	320.407	DBOFZEABJUMFSR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051951
CCCc1noc(COC(=O)c2cc3c(s2)CCCCC3)n1	EMOLS-id_44523534,PC-id_71898953,ZINC22_84759058,MCULE-9503440261	320.407	WVNSHLSLNNGPAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051952
CN(c1cccc(c1)S(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99309032	320.407	NQJJZSSBLIXUEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-051953
N#Cc1c(NC(=O)C2OCCOC2)sc2c1CCCCCC2	EMOLS-id_110431504	320.407	XGXGZUANGFBJLL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-051954
N#Cc1c(NC(=O)CC(C(=O)O)(C)C)sc2c1CCCCC2	PC-id_119133545	320.407	CJELDTZNKLRCIF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051955
O=C1CCC(C(=O)N1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110200338	320.407	BWHGLSZDTMZJSH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-051956
s1c2CCCCCc2cc1C(=O)OCC(=O)N(CCC#N)C	PC-id_7649889	320.407	XELGCMCZBYCTGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051957
s1c2c(CCCCC2)c(c1NC(=O)c1sccc1)C(=O)[O-]	PC-id_4740471	320.407	NHXIDGJIXAXEPL-UHFFFAOYSA-M	00000000100100000100000000000010000000000000000000000000	31-01-051958
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCC)C#N	PC-id_4648304	320.407	YGXKSAZOEQFHCW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051959
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCCC#N	PC-id_7618229	320.407	AYLUPMZAFNUVSD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051960
s1c2c(CCCCCC2)c(c1NC(=O)CC#N)C(=O)OCC	PC-id_3368057	320.407	VPQLRZJPIKWAQC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-051961
c1(C(=O)/N=c/2[nH]nc(CC(C)C)s2)c2CCCCCc2on1	MCULE-7469159714,EMOLS-id_29927145,ZINC22_36359466,PC-id_45493874,EMOLS-id_46526980,STOCK6S-91133	320.41	ZVKRGGBJYXWYJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051962
c1(C(=O)/N=c/2[nH]nc(CCCC)s2)c2CCCCCc2on1	MCULE-9551459921,STOCK6S-89186,EMOLS-id_46526151,PC-id_45492624,ZINC22_36357832,EMOLS-id_29924217	320.41	OCUMFNGFWZCVAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051963
Cc1ccc(cc1)S(=O)(=O)Nn1c2c(CCCCCC2)nn1	PC-id_134884636	320.41	HYRNFIXHLRQUQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051964
Cc1cc(NC(=O)Cn2c3c(sc2=O)CCCCC3)n(C)n1	ZINC22_84101886,PC-id_71858105,EMOLS-id_44581906,MCULE-9009858187	320.41	FLHIKVGYVUQSKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051965
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCn1c(C)csc1=O	EMOLS-id_320201822,MCULE-4108328995	320.41	LCIDVLDRHPPFDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051966
Cc1nccc(c1)S(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319931943,MCULE-8959084642	320.41	ZJORWCIRDBCFBP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-051967
Cc1noc(CCCC(=O)Nc2nc3c(s2)CCCCC3)n1	EMOLS-id_31923462,ZINC22_40515989,MCULE-1187596710,CoCoCo_4868552,PC-id_45817150	320.41	OHWYJTODXLZKRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051968
Cc1noc(n1)CCCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319280780	320.41	HOJHEJVHACYUPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051969
CCc1ccc(cc1)CS(=O)(=O)N1CCCn2c(C1)cnn2	MCULE-2397528627,EMOLS-id_320037213	320.41	XRUDRCNHGIYZNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051970
CC(c1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_316712432	320.41	XLCJPOGABOPVOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051971
CC(c1nnc2n1CCCCC2)NS(=O)(=O)c1ccccc1	MCULE-4500366793,EMOLS-id_31867802,PC-id_51074964	320.41	JRWCCUYNBCFDEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051972
CCCc1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316712688	320.41	VCZMAMPWMUAGOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051973
CC(Cc1nsc(n1)NC(=O)N1CCCc2c(C1)cco2)C	MCULE-9059936205,EMOLS-id_320318065	320.41	KUTBDZFMQZIDSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051974
CCCN1CCc2c(CC1)oc(n2)C(=O)Nc1nc(cs1)C	PC-id_134808000	320.41	QYTNCSTZTMKVSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051975
CC(C(=O)NCc1ccco1)Sc1nnc2n1CCCCC2	PC-id_16313061,MCULE-4840845823,EMOLS-id_3611587	320.41	WYKSZAIJHOVTIK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-051976
C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccco1	PC-id_8379627,ZINC22_7281129,CoCoCo_4054369	320.41	UAYNWIDIWIPRFG-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-051977
C[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccco1	ZINC22_7281122,PC-id_8379622,CoCoCo_4054368	320.41	UAYNWIDIWIPRFG-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-051978
C[C@H](NS(=O)(=O)c1ccccc1)c1nnc2n1CCCCC2	PC-id_94173320,ZINC22_48250768	320.41	JRWCCUYNBCFDEM-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051979
C[C@@H](NS(=O)(=O)c1ccccc1)c1nnc2n1CCCCC2	ZINC22_48250771,PC-id_94173321	320.41	JRWCCUYNBCFDEM-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051980
C[C@H](Sc1nnc2n1CCCCC2)C(=O)NCc1ccco1	CoCoCo_3081830,ZINC22_6097726,PC-id_7877088	320.41	WYKSZAIJHOVTIK-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-051981
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)NCc1ccco1	ZINC22_6097728,PC-id_7877090,CoCoCo_3081831	320.41	WYKSZAIJHOVTIK-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-051982
CCn1nc2CCC(CCn2c1=O)C(=O)NCc1ccsc1	EMOLS-id_207876839,MCULE-8960880735	320.41	YSUPDVPZIHXKTI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051983
CN1Cc2ccnn2CCC1CNS(=O)(=O)c1ccccc1	EMOLS-id_313817639	320.41	LGNUCRKZIYLIJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051984
CN1Cc2ccnn2CC[C@@H]1CNS(=O)(=O)c1ccccc1	ZINC22_585097406	320.41	LGNUCRKZIYLIJF-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051985
CN1Cc2ccnn2CC[C@H]1CNS(=O)(=O)c1ccccc1	ZINC22_585097407	320.41	LGNUCRKZIYLIJF-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051986
CN1Cc2ccnn2C[C@H](CNS(=O)(=O)c2ccccc2)C1	ZINC22_248081249	320.41	AJVRRJSJLDCLST-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051987
CN1Cc2ccnn2C[C@@H](CNS(=O)(=O)c2ccccc2)C1	ZINC22_248081253	320.41	AJVRRJSJLDCLST-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051988
CN1CC(CNS(=O)(=O)c2ccccc2)Cn2nccc2C1	EMOLS-id_50374977	320.41	AJVRRJSJLDCLST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-051989
CN1C(=O)CCC(=N1)C(=O)Nc1sc2c(CCCCCC2)n1	MCULE-9499338849,ZINC22_55375349,PC-id_86832659,EMOLS-id_316214630	320.41	RWXGQMKYWWPJEJ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-051990
Cn1ncc2c1CCCN(C2)Cc1cnc(s1)C1OCCO1	EMOLS-id_319114101	320.41	GNEUELHLEPUXDP-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-051991
Cn1nccc1COCC(=O)Nc1nc2c(s1)CCCCC2	ZINC22_284005712,MCULE-4065397556,EMOLS-id_276229132	320.41	MVPQNYVZNBYTPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051992
CN(C1CCc2nn(C)c(=O)n2CC1)C(=O)Cc1ccsc1	EMOLS-id_50586075,PC-id_91922702	320.41	CVJSEUAWLTVVBR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051993
CN(Cc1ccco1)C(=O)CSc1nnc2n1CCCCC2	CoCoCo_3082140,ZINC22_6098239,MCULE-3165633321,PC-id_7877456,EMOLS-id_13571274	320.41	YRRGZBMGFKCUCB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-051994
CN(Cc1onc(c1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319590497	320.41	KTBLEBLLMUVIEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051995
COCc1nc(c(s1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101674721	320.41	SSEMRKSSAHNDEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051996
COCc1nc(c(s1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319731003	320.41	HIDYGWYRMMBNIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051997
COCc1sccc1C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_319953848,MCULE-7503662579	320.41	ROAKVBBIXHSIQI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-051998
COCCn1ccc(n1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318808130	320.41	WWCROMOKBDMUNL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-051999
COCCn1ncc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319821233,MCULE-7934687080	320.41	FLPSNMGAFLHLTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052000
COC(CNC(=O)c1nnc2CCCCCn12)c1cccs1	MCULE-4497197013,PC-id_56712624,EMOLS-id_36445357	320.41	JJUOHIMVGZFONS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052001
CO[C@@H](CNC(=O)c1nnc2n1CCCCC2)c1cccs1	ZINC22_67679106,PC-id_95201125	320.41	JJUOHIMVGZFONS-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-052002
CO[C@H](CNC(=O)c1nnc2n1CCCCC2)c1cccs1	ZINC22_67679108,PC-id_95201126	320.41	JJUOHIMVGZFONS-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052003
COC(=O)c1sc2=NC=CCC(=c2c1N=CN(C)C)N(C)C	PC-id_143487636	320.41	MWNDTQOKTQYKPK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-052004
CS(=O)(=O)c1ccc(cc1)NCc1nnc2n1CCCCC2	EMOLS-id_317989197,MCULE-2107227751	320.41	IFTKICNWLKSMHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052005
CS(=O)(=O)c1ccccc1NCc1nnc2n1CCCCC2	EMOLS-id_318144972,MCULE-3848337514	320.41	OVZUQSISVMEETF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052006
CS(=O)(=O)N1CCc2nc(CCc3ccccc3)nn2CC1	ZINC22_2356151731,MCULE-6211727106,EMOLS-id_337836595	320.41	WQPXFFIDFNQCQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052007
O=C(C1CCCCc2n1c(=O)n(n2)C)NCCc1cccs1	EMOLS-id_207869445,MCULE-4410390792	320.41	WYVQAZXVZGVTDY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052008
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OCc1nnc([nH]1)CNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_278997444	320.41	KWGDKVCLSZIMFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052010
O=C(c1noc2c1CCCCC2)Nc1nnc(s1)C(C)(C)C	EMOLS-id_111826087	320.41	IEHAUXOSIKLMTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052011
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c1ccc(cc1)CC1=CN(Cc2[nH]cnc2)c2c(C=N1)ccs2	PC-id_140112646	320.411	QAWSVUPAWDYDJO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-052026
c1ccc(cc1)CC1=CN(Cc2[nH]cnc2)c2c(C=N1)scc2	PC-id_140112638	320.411	ZYCLQFSPSAIDHZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-052027
c1(C#N)c2CCCCCc2sc1N=Cc1[nH]c2c(cccc2)n1	ZINC22_252680233,MCULE-8079825640,STOCK1S-88825,EMOLS-id_300244886	320.411	XUOAPENRLKBHPP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-052028
N#Cc1c2CCCCCc2sc1/N=C/c1nc2ccccc2[nH]1	PC-id_135603251,EMOLS-id_26260783,ZINC22_503875	320.411	XUOAPENRLKBHPP-RGVLZGJSSA-N	00000000100000100101000001000010000000000000000000000000	31-01-052029
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s1c2CCCCCc2c(c1N/C=C
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c12CN(CCCn1nc(CNc1sccn1)c2)C(=O)N(C)C	MCULE-3783140099,ZINC22_82115432,PC-id_70743656,EMOLS-id_44437233	320.413	YYWBXJCSABXKPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052032
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c1(C(=O)NCCCc2csc(N)n2)nnc2CCCCCn12	MCULE-6878266837,EMOLS-id_50549049,PC-id_86287188	320.413	QGBWTULHVVXJEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052034
Cc1ccc(s1)CN(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102163147	320.413	UONZIXXHGKDPLQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052035
Cc1csc(CNC(=O)NCc2nnc3n2CCCCC3)n1	EMOLS-id_31998134,ZINC22_43779542,PC-id_51083693,MCULE-6236770120	320.413	YYVKBLQJDBNHPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052036
Cc1csc(n1)NCCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316583512	320.413	HCKSZRODMXPNRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052037
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CC(C)N(C)Cc1ncn2CCCN(Cc12)C(=O)C1CCCO1	EMOLS-id_46182271,PC-id_118740789	320.43	AGCPCSPAZDLYCK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052129
CC(C)N(C)C[C@@H]1CN(C(=O)C2CC(O)C2)Cc2nccn2C1	ZINC22_1565542296	320.43	IQMIPVZTLYZBIN-NFOMZHRRSA-N	00001000100000000101000000000010000000000000000000000000	31-01-052130
CC(C)N(C)C[C@H]1CN(C(=O)C2CC(O)C2)Cc2nccn2C1	ZINC22_1614947240	320.43	IQMIPVZTLYZBIN-WLYUNCDWSA-N	00001000100000000101000000000010000000000000000000000000	31-01-052131
CC(C(N(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1)C)C	PC-id_72027999,EMOLS-id_48989757,MCULE-6382112313	320.43	CBCIEFXYQQKPCR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-052132
C[C@@H]1CCCCCn2nnc(c2)CCC[C@H](NCC1=O)C(=O)C	PC-id_58027933,SCHEMBL13575413	320.43	KRXYWBATABEIMZ-CJNGLKHVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052133
CCN1CCCCCC1CN1CCc2c(C(C1=O)NC)ocn2	SCHEMBL14171225,PC-id_23554757	320.43	KPOSCPFSXSXUDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052134
CC(=O)C1(CCc2cnnn2CCCCC(C(=O)CN1)(C)C)C	PC-id_91503842	320.43	QBYGYZWRPNFCPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052135
CCOC1(CCCC1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101706227	320.43	AUGWDHISWUURIK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052136
CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCCC3)s1	PC-id_40120749,ZINC22_32885737,CoCoCo_4546230,EMOLS-id_44038054,MCULE-2779525365	320.43	POQBTWPYDGBRMA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052137
CC(=O)c1csc(NC(=O)c2cc3c(s2)CCCCC3)n1	PC-id_51112436,MCULE-1650026121,EMOLS-id_33342932,ZINC22_41907251	320.43	UFUJKLDJYIMFJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052138
CCOCC(=O)N1CCc2n(CC1)c(cn2)CN1CCCCC1	PC-id_97467042	320.43	MCXVAPSDNOUNOI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052139
CCO[C@@H]1CCCC[C@H]1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101710613	320.43	HBXGPBUXSSOXJS-GDBMZVCRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052140
CCOC(=O)N1CCC(CC1)NCc1n[nH]c2CCCCCc12	ZINC22_67725232,EMOLS-id_32408270,MCULE-6622301747,PC-id_50969318	320.43	MZZMBCWNNFOMIK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052141
CN1CCC(CC1)OCC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-9133786909,EMOLS-id_320237743	320.43	WHFVNULTLFHAPA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052142
CN1CCCn2nc(C(=O)N(C)CCC[C@H]3CCCO3)cc2C1	PC-id_95128047,ZINC22_65405572	320.43	PXOVQPIWIPIQQO-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052143
CN1CCCn2nc(C(=O)N(C)CCC[C@@H]3CCCO3)cc2C1	ZINC22_65405571,PC-id_95128046	320.43	PXOVQPIWIPIQQO-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052144
CN1CCN(CC1)CC(NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_100121925	320.43	APWJUOZFWCZNAM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052145
CN1CCN(CC1)C(CNC(=O)c1noc2c1CCCCC2)C	EMOLS-id_99851360	320.43	AQFGFFFAJBGYQA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052146
Cn1nc2CCC(CCn2c1=O)NC(=O)CCC1CCCCC1	EMOLS-id_50586055,MCULE-8182401266,PC-id_91910824	320.43	UJJUPNPZONAWOF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052147
CNC1C(=O)N(CCc2c1ocn2)CC1CCCCN(C1)CC	PC-id_23554761,SCHEMBL14171226	320.43	RIURCKKOZHFNSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052148
CN(CC1(O)CCN(CC1)C(=O)c1cnc2n1CCCCC2)C	EMOLS-id_258164491,MCULE-4153100092	320.43	HQKIABGTMWYLRB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052149
CN(CC(=O)NC[C@H]1CCCO1)Cc1n[nH]c2c1CCCCC2	ZINC22_244874130	320.43	WUWWEZSGPOJJAD-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052150
CN(CC(=O)NC[C@@H]1CCCO1)Cc1n[nH]c2c1CCCCC2	ZINC22_244874131	320.43	WUWWEZSGPOJJAD-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052151
CN(C(=O)C1CCn2c(CC1)nnc2)C1CC(C1)OC(C)(C)C	EMOLS-id_316672180	320.43	HXESGUGXWKNCPN-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-052152
CN(C(=O)CC1CC(C1(C)C)O)Cc1nnc2n1CCCCC2	EMOLS-id_320196908,MCULE-9839185637	320.43	XDYYDMIMIRJLRR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-052153
COC1CC(C1(CC)CC)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319507084	320.43	JMYCHIXAGBQSSK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-052154
COC1C(C)C(C1(C)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101699390	320.43	YDGCKXHQOSGQBC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-052155
COC1(C)CC(C1(C)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101731323	320.43	CQDMJSVXZCYBTR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-052156
COC1CCC(CC1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101723502	320.43	ZKTABBFMHBGLTK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052157
COC1(CC(=O)N2CCc3ncc(CN(C)C)n3CC2)CCC1	EMOLS-id_313779661,ZINC22_1565548251	320.43	WBOCVADYXFTFAG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-052158
COCC1(CCCC1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101708732	320.43	JXMDBEWPADBKPV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052159
COCC1CCC(CC1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101685866	320.43	ATYYIFONLVCKOZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052160
COCCC1(CCC1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318097407	320.43	UMRMXCOCSUNYJZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-052161
COCCC(=O)N1CCc2ncc(CN3CCCCC3)n2CC1	ZINC22_96196897,PC-id_97467041,EMOLS-id_44328725	320.43	VWZNRMMKCHTGGE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052162
COC(C(NC(=O)N1CCCc2c(C1)cnn2C)C)(C1CC1)C	EMOLS-id_101692478	320.43	NDEIAECJYNVFMC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-052163
CON1CCC(CC1)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_318036972	320.43	NOYWJUALHMVICD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052164
O1CCN(CC1)CCNC(=O)Cn1nc2CCCCCCc2c1	CoCoCo_2192346,PC-id_20892500	320.43	BJVDQOWCXZIEOL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052165
O1CCN(CCCNC(=O)Cn2nc3CCCCCc3c2)CC1	CHEMBL1321165,PC-id_5309028,CoCoCo_2192276	320.43	IJNMKCHEXHHJKS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052166
O1N(CCCC1)CCC(=O)N(Cc1n[nH]c2c1CCCCC2)C	PC-id_46999712	320.43	NISAIMIDVHNYAO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052167
O=C1C(CCCCCn2nnc(CCCC(NC1)C(=O)C)c2)C	PC-id_76667555	320.43	KRXYWBATABEIMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052168
OC1CCN(CCCN2CCN(CC2)C)C(=O)c2c1n(cc2)C	PC-id_20596496	320.43	NWBOCYUARHDAPS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052169
OC1CN(C(C1)(C)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C)C	EMOLS-id_320160211,MCULE-6015692715	320.43	HZDRAFGPGUPOTR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052170
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1cscc1	EMOLS-id_16812013,PC-id_17544600,MCULE-7534320573,CoCoCo_3910966	320.43	XMUAGQZAZPNTRJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-052171
O=C(c1cccs1)NCC(=O)N1CCCCc2c1ccs2	EMOLS-id_318045063	320.43	KDWZAFOLIMIUNK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-052172
O=C(C1CCn2c(CC1)nnc2)NCC(C1(O)CCCC1)(C)C	EMOLS-id_319018591	320.43	FGLZAQYUUASAKQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052173
O=C(C1CCn2c(CC1)nnc2)NCCOC1CCCCCC1	EMOLS-id_319437212	320.43	SVOXECSDWNQVLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052174
OCC1CCN(CC1)CC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319516596	320.43	UXIQPPCSUULDJQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052175
O=C(c1n[nH]c2c1CCCCC2)NCCCN1CCOCCC1	EMOLS-id_319904808,MCULE-5965543457	320.43	VZGUSHKCKKMYRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052176
OCC(C1CCCCC1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319294647	320.43	HCVDSADLFPJBOE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052177
OCCC1(CCCCC1)CNC(=O)C1CCn2c(CC1)nnc2	MCULE-2088421969,EMOLS-id_258054344	320.43	ZNQNSFJKVQIQMA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052178
O=C(CC1(O)CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111538641	320.43	OIGBEICHHRFTGZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052179
O=C(CC1(O)CCCCC1)NCCc1nnc2n1CCCCC2	PC-id_111331728	320.43	DOWCPNHISJVPBR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052180
O=C(CCC1CCOCC1)NCCc1nnc2n1CCCCC2	EMOLS-id_99768863	320.43	XKNUHTURMADQJB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052181
O=C(CC(C)(C)C)NC(C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101676521	320.43	PNUCBWBQNILKRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052182
OC(CN1CCCCCC1)c1[nH]c2CC(CNC(=O)c2n1)(C)C	PC-id_50975686	320.43	PFZFDQMJQXSYQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052183
OCCN(C(=O)c1cnc2n1CCCCC2)C1CCN(CC1)C	MCULE-4260880357,EMOLS-id_316546959	320.43	XHRCNEQNYUMWQF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052184
O[C@H]1CCN(CCCN2CCN(CC2)C)C(=O)c2c1n(cc2)C	PC-id_59101144	320.43	NWBOCYUARHDAPS-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052185
O=C(N1CCCc2c(C1)cnn2C)NC1CC(OC1(C)C)(C)C	EMOLS-id_101703176	320.43	JWJASQSJEOXAOU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052187
O=C(N1CCCc2c(C1)cnn2C)NCC1CCOC(C1)(C)C	EMOLS-id_101712737	320.43	KBNUWQUWNNDEFL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052188
O=C(N1CCCc2c(C1)cnn2C)NCCOC1CCCCC1	EMOLS-id_101717670	320.43	UKRHRFRVFISSOM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052189
O=C(OC(C)(C)C)N[C@@H]1C[C@@H](C1)CN1CCCc2c(C1)c[nH]n2	EMOLS-id_279153200	320.43	YLEYWHIIOVWHKF-XBXGTLAGSA-N	00001000100000000101000000000010000000000000000000000000	31-01-052190
s1c2CCCCCc2cc1C(=O)NNC(=O)c1sccc1	PC-id_7600849	320.43	IXRBWPOVULYHPK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-052191
s1c2c(CCCCC2)c(c1NC(=O)c1ccsc1)C(=O)N	PC-id_52464631	320.43	CBUPFPDZQXDGTM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-052192
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCOCC1)C#N	PC-id_3534909	320.43	FCERYEVQWDFLQY-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-052193
c1ccc2-c(cc1)cc(n2)SSc1cc2-c(n1)ccccc2	PC-id_88837216,SCHEMBL11808892	320.431	FYYFQFJIVHZIEP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-052194
n12CCCCCc1nnc2C(=Cc1ccc(C(C)(C)C)cc1)C#N	PC-id_4070943	320.431	UNGPWOYQPRPPHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052195
n12CCCCCc1nnc2/C(=C/c1ccc(C(C)(C)C)cc1)/C#N	PC-id_6002791	320.431	UNGPWOYQPRPPHM-DTQAZKPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052196
c1(C(C(C)C)NC(=O)C2CCNCC2)nnc2CCNCCn12	EMOLS-id_36436822,PC-id_56708516,MCULE-3356369873	320.433	CAVNVZWIKMMLGL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052197
CC1CCN(CC1)CCNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319343106	320.433	FWHOMDUOSXAEKC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052198
CCC1(CCCCC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102170198	320.433	IOCHWLZQFZVOJC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052199
CCC1CCC(CC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102173006	320.433	NLJOFOBJLIQRQE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052200
CCC1CCCCC1CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102181437	320.433	YDCRMIBDRITSFA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052201
CCC1CCC(CC1)N(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102159127	320.433	LBBLMPRBEUJPNP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052202
CCC1(CC)CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102167206	320.433	ZDDUZYMPNGIYOZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052203
CC(C1CCCN(CC1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102163321	320.433	HTFPZRWXYROVTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052204
CC(C1CN(C1C(C)C)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102106949	320.433	DHUPDLMNJDFDRY-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-052205
CCCC1CCC(CC1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102171710	320.433	OYLVQBGKBUBWAY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052206
CCCC1C(C)CCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164902	320.433	SEXFOWVJGMSHPK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052207
CC(CC1(C)CCCN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102161395	320.433	XXEMAVLGKZDFOR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052208
CCC(C1CCCCN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102163420	320.433	IWLHXGVXZDVUFV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052209
CC(CC1CCCCN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102165118	320.433	LOLHJIJEOGMWIA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052210
CCCC1(C)CCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164941	320.433	ZAFDAJMFBYAWPP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052211
CC(CC1CCCN(C1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102165127	320.433	GXLDKSIDDDPHDV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052212
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CCCNC1	EMOLS-id_303416291	320.433	CIGAQIVGWKOHNJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052213
CCC(c1nnc2n1CCCCC2)NC(=O)N[C@@H]1CCCNC1	EMOLS-id_101937585	320.433	CIGAQIVGWKOHNJ-PZORYLMUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052214
CCC(c1nnc2n1CCCCC2)NC(=O)N[C@H]1CCCNC1	EMOLS-id_101937594	320.433	CIGAQIVGWKOHNJ-UEWDXFNNSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052215
CCCC(C1CCCC1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158794	320.433	GZZNJXVVQLPPTB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052216
CC(CCC1CCCN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102165238	320.433	DMNHVNOKJOGHQW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052217
CCCC(C1CCCN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102165241	320.433	NMRWUMKEBDMZKW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052218
CC(C)[C@H](NC(=O)C1CCNCC1)c1nnc2n1CCNCC2	PC-id_95209383,ZINC22_67770436	320.433	CAVNVZWIKMMLGL-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052219
CC(C)[C@@H](NC(=O)C1CCNCC1)c1nnc2n1CCNCC2	ZINC22_67770439,PC-id_95209384	320.433	CAVNVZWIKMMLGL-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052220
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s1c2c(CCCCCC2)cc1C(=O)N(CCN1CCCC1)C	PC-id_56510510	320.493	HXGHHDQWSJHNGG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-052407
s1c2c(CCCCCC2)cc1C(=O)NCC(N(C1CC1)C)C	PC-id_56463369	320.493	OYUVTZBNFWGPMX-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-052408
CCCn1nc(c2c1C(=S)NCC(=N2)C(C)(C)C)C(C)(C)C	SCHEMBL5411774,PC-id_22281576	320.496	DNYRTYORKRGOOU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-052409
s1c2c(CCCCC2)cc1C(O)c1sc(C(C)(C)C)cc1	PC-id_81635424	320.513	KXTSEVFZOXQYBF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-052410
CCc1ccc(s1)CC(c1cc2c(s1)CCCCC2)NN	PC-id_105296312	320.516	LXFFETNLXCHMAB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-052411
CCCNC(c1cc2c(s1)CCCCC2)Cc1cncs1	PC-id_105030414	320.516	FYWJFROGKJSIOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052412
CCCNC(c1cc2c(s1)CCCCC2)Cc1nccs1	PC-id_105014980	320.516	QICFKGSLOIIDQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052413
CCNC(c1cc2c(s1)CCCCC2)Cc1csc(n1)C	PC-id_104996899	320.516	XTCOBJOEEARQDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052414
CCNC(c1cc2c(s1)CCCCC2)Cc1scc(n1)C	PC-id_105019143	320.516	DUVNBRPFUOBZBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052415
CNC(c1cc2c(s1)CCCCC2)Cc1nc(c(s1)C)C	PC-id_105019867	320.516	NYANMRYWSUCBRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052416
[Si](C)(C)(C)C#Cc1c2-c(cc1C#C[Si](C)(C)C)ccccc2	PC-id_85773725	320.576	QTQWXKFAAZBKMN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-052417
[Si](C)(C)(C)C#Cc1c2-c(c(c1)C#C[Si](C)(C)C)ccccc2	PC-id_86065384	320.576	YLRNYJWTXWLOSH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-052418
Clc1c(c2-c(c1C(=O)OCC)ccccc2C)C(=O)OCC	PC-id_10687201	320.767	ILXOEZILGVIQNH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-052419
Clc1c(c2-c(c1C(=O)OCC)ccc(cc2)C)C(=O)OCC	PC-id_10805687	320.767	OJHCNRIPWBGNDE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-052420
C1CN(CCc2c1nc(s2)N)CC=Cc1ncc(cc1)Cl	PC-id_88124445	320.84	YLEJAIJXHDCQPO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052484
c1(C(=O)Nc2ccc(c(Cl)c2)OC)c2CCCCCc2on1	EMOLS-id_21980665,TIMTEC276063,ZINC22_20258696,PC-id_17254368,MCULE-3512321126,STOCK6S-94579	320.771	KXNHWDYRBVFXLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052421
c1(C(=O)Nc2c(OC)ccc(Cl)c2)c2CCCCCc2on1	MCULE-9106272871,ChEMBL-DNDi_CHEMBLC226-3499,PC-id_4257434,ZINC22_426577,STOCK6S-90248,EMOLS-id_15972058	320.771	IZCYZMRZFGUUKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052422
Clc1c(OC2CCN(Cc3occc23)C)ccc(c1)C(=O)N	SCHEMBL2840919,PC-id_25028012	320.771	ZXMSJJGFSGUNNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052423
Clc1ccccc1CNC(=O)C1CCCCc2n[nH]c(=O)n12	MCULE-4033265517,EMOLS-id_207869272	320.774	LORJEAZUQOJAMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052424
Clc1ccc(c(c1)CNC(=O)C1CCn2c(CC1)nnc2)O	MCULE-6464189458,EMOLS-id_319969468	320.774	NEOOURAJQOSISD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052425
Clc1cccc(c1)O[C@H](C(=O)N1CCn2c(CC1)nnc2)C	CoCoCo_1164522	320.774	PVVGFVGYBOHTBJ-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-052426
Clc1cccc(c1)O[C@@H](C(=O)N1CCn2c(CC1)nnc2)C	CoCoCo_1164523	320.774	PVVGFVGYBOHTBJ-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052427
Clc1cccc(NC(=O)Cn2nc3CCCCCn3c2=O)c1	EMOLS-id_17221346,CoCoCo_4406384,MCULE-1354968796,ZINC22_24929667,PC-id_24251074,SPECS-id_AT-687/NB01945	320.774	IFDOGBCLGVACQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052428
Clc1ccc(NC(=O)Cn2c(=O)n3c(CCCCC3)n2)cc1	EMOLS-id_11923002,MCULE-6156966776,CoCoCo_4406391,SPECS-id_AT-687/NB01969,ZINC22_9690887,PC-id_17407539	320.774	GLDIQLDVLQWZLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052429
Cn1nc2CCCCC(C(=O)Nc3cccc(Cl)c3)n2c1=O	MCULE-4596592670,EMOLS-id_207869439	320.774	YVEDEEOAHSRPLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052430
COc1cc(ccc1Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316474527	320.774	PYFSNYQNXUWGBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052431
COc1ccc(cc1Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320047631,MCULE-9877623851	320.774	TWRTXWFFCNBXPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052432
COc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)Cl	EMOLS-id_278126861	320.774	JGDRNCJHVRXVSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052433
COc1ccc(cc1NC(=O)C1CCn2c(CC1)nnc2)Cl	MCULE-8851518601,EMOLS-id_257959402	320.774	KKGPSNRXUFHAAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052434
O=C(N1CCn2c(CC1)nnc2C)COc1ccccc1Cl	CoCoCo_1187040	320.774	UMERRGKBZULQIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052435
Clc1cc(NCc2nnc3n2CCOCC3)nc(C2CC2)n1	MCULE-4350359454,EMOLS-id_316915151,ZINC22_1616046071,PC-id_136551604	320.777	LNYWNZOJEZWKAM-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-052436
O=C(N1CCCc2c(C1)cnn2C)NCc1cnc(cn1)Cl	EMOLS-id_316567524	320.777	WDUMPDZLPBQOQL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-052437
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccnc(c1Cl)C	EMOLS-id_319832641	320.777	OIUVAJOQMIWMOU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052438
O=C(N1CCCn2c(C1)cc(n2)N)Nc1cncc(c1C)Cl	EMOLS-id_320063765,MCULE-3137989901	320.777	IZNGJTPYVXKJFY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052439
O=C(Nc1ccc(cc1C)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102025372	320.777	QHJXREIOPNCLNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052440
O=C(Nc1cccc(c1C)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102025393	320.777	NWWVQSCRFNASGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052441
O=C(Nc1ccc(c(c1)Cl)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102025318	320.777	IBPNOQDWAIEWCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052442
O=C(Nc1ccc(cc1Cl)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102025447	320.777	IYHGPIOQKMNIDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052443
O=C(Nc1cc(C)ccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102005259	320.777	JXXXEERFIVMHMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052444
O=C(Nc1c(C)cccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102022603	320.777	VMIBUKBDPXNKSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052445
O=C(Nc1cc(Cl)ccc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102027361	320.777	YJMQEEMMDIENEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052446
N#Cc1c(NC(=O)c2ccc(o2)Cl)sc2c1CCCCC2	PC-id_103601747	320.794	VOGHTAFRBWBHPG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-052447
N#Cc1c(sc2c1CCCCC2)NC(=O)c1ccoc1Cl	PC-id_106685600	320.794	MRAKPPHHPAIUHW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-052448
CCCC(CCC)[N-]C(=O)c1cc2-c(nc([o+]2)CCl)ccc1	PC-id_137427154	320.814	AGJZYXAPCHBJJG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-052449
CCCC(NC(=O)C1=Cc2oc(nc2C=C=C1)CCl)CCC	SCHEMBL20662808	320.814	DYTGTAWFAKOAHR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-052450
CCOc1cc(Cl)ccc1NCc1nnc2n1CCCCC2	EMOLS-id_318221137	320.817	WUVAUZCVZXRFSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052451
Clc1ccc(c(c1)CN1CCn2c(CC1)nnc2C(C)C)O	PC-id_42340732,ChEMBL-DNDi_CHEMBL21078513	320.817	DEHJNOBPFCNWGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052452
Clc1cc(C)c(c(c1)C)CNCc1nnc2n1CCOCC2	MCULE-1798841256,EMOLS-id_318647198	320.817	PIQYRDFUWAKZGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052453
Cl/C(=C/C=C)/c1c2n(CCCCCC2)c(c1)C(=O)N=C(N)N	PC-id_59964858	320.817	IEIDLZIANIDCIJ-KPKJPENVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-052454
ClC(=CC=C)c1c2n(CCCCCC2)c(c1)C(=O)N=C(N)N	PC-id_72608585	320.817	IEIDLZIANIDCIJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-052455
COc1cc(Cl)c(cc1NCc1nnc2n1CCCCC2)C	MCULE-2370023052,EMOLS-id_318141684	320.817	HFQVHJAILPQSEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052456
Clc1cc(C(=O)c2sc3CCCCCc3c2)ccc1OC	PC-id_43463334	320.834	GAQVTKNNVGRKJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052457
Clc1c(C(=O)c2sc3CCCCCc3c2)ccc(OC)c1	PC-id_43561624	320.834	ZOQZXGRGJIEMRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052458
Clc1c(OC(=O)c2sc3CCCCCc3c2)cc(cc1)C	PC-id_7921078	320.834	NZHYJRLRWSXWRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052459
COc1cc(ccc1Cl)C(=O)c1cc2c(s1)CCCCC2	PC-id_115781824	320.834	YICNYJRGKMNXCV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052460
COc1ccc(cc1C(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_104544967	320.834	GPLBWKGRKPQAGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052461
O=C(OCc1ccccc1Cl)c1cc2c(s1)CCCCC2	EMOLS-id_43703955,MCULE-3527159224,ZINC22_3220126,PC-id_2338782,CoCoCo_2861412	320.834	FGBCHVMSFWOFFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052462
c1(c2CCCCCc2sc1N)C(=O)Nc1ccccc1Cl	ChEMBL-DNDi_CHEMBL3261-0685,ZINC22_130298,MCULE-2569413041,CoCoCo_138198,PC-id_724223,EMOLS-id_1280454	320.837	VCBHRPSXVXMXEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052463
c1(c2CCCCCc2sc1N)C(=O)Nc1ccc(cc1)Cl	SPECS-id_AG-667/11913055,MCULE-2360849401,PC-id_823312,TIMTEC596043,SCHEMBL4144380,EMOLS-id_3785190,ZINC22_341190,CoCoCo_6811061	320.837	ZKPKEDIFSSNEQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052464
c1(c2CCCCCc2sc1N)C(=O)Nc1cccc(Cl)c1	PC-id_724224,EMOLS-id_1280452,MCULE-8215869121,CK1537974,CoCoCo_138189,SPECS-id_AG-667/11913183,ZINC22_130300,ChEMBL-DNDi_CHEMBL3261-0686	320.837	PLLWUOOQVHWNSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052465
c1(NC(=O)Cc2ccccc2Cl)sc2c(CCCCC2)n1	EMOLS-id_323451198,PC-id_46696587,MCULE-5749464969	320.837	NXRGXAANRITERF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052466
c1(NC(=O)Cc2ccc(cc2)Cl)sc2c(CCCCC2)n1	MCULE-1187663506,EMOLS-id_323384009	320.837	XKTIXMGVZUKVDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052467
Cc1cnc(c(c1)NC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_102979905	320.837	GOVADLCOKBCGMO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-052468
Cc1sc2c(c1)N(CCNC2=O)C(c1ccccc1Cl)C	SCHEMBL12200977,PC-id_68216115	320.837	BSRAZBCVOQOQMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052469
Clc1cccc(c1)NCC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318119900,MCULE-8259025010	320.837	DBDRFZYUUYFMEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052470
Clc1ccc(c(n1)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_108183219	320.837	KXTVCWCMULWGAI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-052471
Clc1cc(C(=O)N2CCCCc3sccc23)ccc1CN	SCHEMBL6202224,PC-id_18759810	320.837	CZLYEBRPMHFMHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052472
Clc1cc(N)c(NC(=O)c2sc3CCCCCc3c2)cc1	PC-id_29300465	320.837	OSBQZDXSSOLNJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052473
Clc1cc(NC(=O)c2sc3CCCCCc3c2)ccc1N	PC-id_82863734	320.837	VRXLXCGNBZTAPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052474
Clc1cc(NC(=O)c2sc3CCCCCc3c2)c(N)cc1	PC-id_29050146	320.837	MIONEUQWHNOILT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052475
Clc1c(N)cc(NC(=O)c2sc3CCCCCc3c2)cc1	PC-id_29554990	320.837	PKBZJOBBVSXFMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052476
Clc1c(NC(=O)c2sc3CCCCCc3c2)ccc(N)c1	PC-id_29551010	320.837	KUKXTGYGYDODHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052477
Clc1c(NC(=O)c2sc3CCCCCc3c2)cc(N)cc1	PC-id_43548764	320.837	AABBTQLMJJERGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052478
Clc1c(NC(=O)c2sc3CCCCCc3c2)c(N)ccc1	PC-id_62085864	320.837	RVJDQIDFLHMTTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052479
O=C(c1cc2c(s1)CCCCC2)Nc1c(C)ccnc1Cl	PC-id_108190451	320.837	AQMWKTXOTNFJHP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-052480
O=C(c1cc2c(s1)CCCCC2)Nc1cnc(c(c1)C)Cl	PC-id_108176043	320.837	MEOSAOGISJTWGO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-052481
O=C(N1CCCc2c(C1)ccs2)CNc1ccccc1Cl	MCULE-4033247909,EMOLS-id_318241872	320.837	YCONYDGGUBOWBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052482
ClCCCS(=O)(=O)NC(c1n2CCCCCc2nn1)C	PC-id_60960133	320.839	XPNLHWWBLQDXIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052483
Clc1cccc(n1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7284229,PC-id_19985717	320.84	DUNQKAMWDBSIMY-DUXPYHPUSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052485
Clc1ccc(nc1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7293677	320.84	YLEJAIJXHDCQPO-OWOJBTEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052486
Clc1nc(C=CCN2CCc3sc(nc3CC2)N)ccc1	PC-id_53779956	320.84	DUNQKAMWDBSIMY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052487
Clc1ccc(/C=C/c2c3-c(cc(C(C)C)cc2)c(cc3)C)cc1	PC-id_11110026	320.855	OTYRYIJYJQNTKF-VMPITWQZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-052488
Clc1ccc(C=Cc2c3-c(cc(C(C)C)cc2)c(cc3)C)cc1	PC-id_85402227	320.855	OTYRYIJYJQNTKF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-052489
Cc1ccc(c(c1)Cl)CC(c1cc2c(s1)CCCCC2)O	PC-id_106867983	320.877	QPYBHLKKPHLFDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052490
Clc1cc(C)c(cc1C(c1cc2c(s1)CCCCC2)O)C	PC-id_115484561	320.877	VUWIOWODYLJGEQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052491
Clc1c(cc(C(O)c2sc3c(CCCCC3)c2)c(c1)C)C	PC-id_64211676	320.877	UNBXAEWAUZSSHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052492
ClC(c1sc2c(CCCCC2)c1)c1c(cc(OC)cc1)C	PC-id_63430315	320.877	PHXWEDLZNWYZHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052493
ClC(c1sc2c(CCCCC2)c1)c1cc(c(OC)cc1)C	PC-id_63434660	320.877	PASHYGCUWKCDIU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052494
ClC(c1sc2CCCCCc2c1)c1ccc(OCC)cc1	PC-id_63428583	320.877	JDWPRHYTLCSPMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052495
ClC(c1sc2c(CCCCC2)c1)c1c(OC)ccc(c1)C	PC-id_63435210	320.877	IYTUKFLUAZXXRM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052496
ClC(c1sc2c(CCCCC2)c1)Cc1ccc(OC)cc1	PC-id_63520430	320.877	BCEMGGIGJCYXRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052497
ClC(c1sc2c(CCCCC2)c1)Cc1cc(OC)ccc1	PC-id_63543172	320.877	SMJAKJUUMWNRMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052498
ClC(c1sc2c(CCCCC2)c1)Cc1c(OC)cccc1	PC-id_63544735	320.877	OTRALQPKRYYLSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052499
CNC(c1cc2c(s1)CCCCC2)Cc1ccncc1Cl	PC-id_115984896	320.88	HNMCGLAWOLOKAX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-052500
NNC(c1cc2c(s1)CCCCC2)Cc1ccc(cc1)Cl	PC-id_105283228	320.88	KNFOGXAPHASTJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052501
NNC(c1cc2c(s1)CCCCC2)Cc1cccc(c1)Cl	PC-id_105283385	320.88	HCKVUFBTAANIKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052502
NNC(c1cc2c(s1)CCCCC2)Cc1ccccc1Cl	PC-id_105286491	320.88	HXACTRHBOJNJPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052503
NNC(c1ccc(c(c1)Cl)C)c1cc2c(s1)CCCCC2	PC-id_107562528	320.88	YEYYAFQKXHJURO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052504
CC1C=C(C2=NN=CN2C(=C1C)Cl)I	PC-id_155129633	320.953	KWMRIYLQZHJJEH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-052505
CC(=O)N1CCC2=C(CC[I-]1)N=NN2C	PC-id_148258825	321.022	RIHNAJNWBXVETI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052506
CC[I-]1(CCn2cc(nc2CC1=O)C)C	PC-id_164171038	321.047	HSKSGOFMVXBJLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052507
COC1=CC=CC(=C1)CS(=O)(=O)C2=NN=C3N2CCCCC3	MCULE-8189452162,PC-id_154736744,ZINC22_125334356,EMOLS-id_317744538	321.115	AUEGQBQKBGTUND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052508
CCCC1=CC(=C2C1=C(C=CC(=C2)C(C)C)OC)S(=O)(=O)[O-]	PC-id_148240492	321.117	VDOVFAKRJKPSSB-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-052509
CCCCCCC1=C2C(=CC=CC=C2OC)C(=C1)S(=O)(=O)[O-]	PC-id_152779885	321.117	DUOYQDJOKPOKMW-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-052510
CC1=CSC(=C1)CNC(=O)NCC2=NN=C3N2CCOCC3	EMOLS-id_320320459,ZINC22_1615589066,MCULE-6464269041,PC-id_164635776	321.126	FVIOVNHJADZUNM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052511
C1=CN2C=CN=CC=NC=CN=CC=NC=CN=CC2=C1C(=O)N	PC-id_154405230	321.134	RLSNNSMFDFBSTG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-052512
CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)SC3=CC=C(C=C3)N	PC-id_165177879	321.155	WTOPOOGHSOBWLR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-052513
Clc1c2-c(ccc(N(n3cnnc3)C(=O)C)cc2)c(Cl)c1	PC-id_10591833	321.161	ADCBPBILKPBMHY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-052514
C[C@H](C1=NN=C2N1CCCCC2)NCC3=CSC(=N3)COC	PC-id_154763666,EMOLS-id_317270518,MCULE-8343601112	321.162	AGHIMFWCJARNJA-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052515
BrCc1c(c2-c(c1C(=O)OC)ccccc2)C(=O)C	PC-id_11186304	321.166	OSKANLBYJOPHOC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-052516
BrCC(=O)c1c2-c(c(c1C)C(=O)OC)ccccc2	PC-id_86216988	321.166	XXECPDDXJTZKTK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-052517
CC1=C(NC2=C1C(=O)N(CCC2)CCN3CCOCC3)C(=O)O	PC-id_153829582	321.169	VMUXPENHOLFSFT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052518
CC1C=CC2=C(C=C1)OC(=N2)/C=C/C/3=C/C(/C=CC(/C=C3)(C)O)C	PC-id_154662546	321.173	MIQNOBULOXXSLK-UXHBNAHVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-052519
O=C1Nc2c(C)sc(c2CCC1I)C	SCHEMBL19031582	321.178	BCBHBBMBEKFCMD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-052520
CC1=CC(=CC=C1)C2=C(C=NN2)CN3CCCC4=C(C3)C=NN4C	PC-id_154799763	321.195	RHLVJALNVPZVBE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-052521
C1CNCc2c(c(nn2C1)C#N)Cc1cc(cc(c1)Cl)Cl	SCHEMBL16100033,PC-id_90460743	321.204	PAANJHLOHVXPGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052522
CCCCN(CCOC)C(=O)c1nn(c2c1CCCCC2=O)C	PC-id_164038281	321.205	VNYMJNBXURROJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052523
Brc1sc2SCCC(CC(=O)O)C(=O)c2c1	SCHEMBL7293806,PC-id_15225038	321.211	AYURVPDFCFURSX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-052524
Brc1ccc(Cn2[nH]c3c(CCCCC3)c2=O)cc1	PC-id_66022354	321.212	WLQQAQBCHHMZEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052525
Brc1cc(Cn2[nH]c3c(CCCCC3)c2=O)ccc1	PC-id_66020290	321.212	KPGOMYMSBFYQEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052526
Brc1ccc(nc1)Cn1cc2c(c1)CCCCC2O	PC-id_104801120	321.212	SBYLQCGGAFIUKL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-052527
Brc1c(Cn2[nH]c3c(CCCCC3)c2=O)cccc1	PC-id_66021321	321.212	XQTJJRZEFVEXJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052528
Brc1cncc(c1)Cn1cc2c(c1)CCCCC2O	PC-id_104801118	321.212	YUPXEQYVOJYMBG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-052529
Brc1cccc(c1)NCc1nnc2n1CCCCC2	EMOLS-id_318308399,MCULE-2264594576	321.216	FQRNKLPACKQLPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052530
Brc1ccccc1NCc1nnc2n1CCCCC2	MCULE-4277097651,EMOLS-id_318058396	321.216	MRTDPDUXGKUKRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052531
Brc1cccnc1NCc1cnc2n1CCCCC2	EMOLS-id_318493651,MCULE-3554588896	321.216	JOIFEISPSGAPCM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052532
Brc1ccc(nc1)NCc1cnc2n1CCCCC2	EMOLS-id_318560392,MCULE-4366603532	321.216	GMXLSNYQAIQIAM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052533
Brc1ccc(NCc2nnc3CCCCCn23)cc1	EMOLS-id_9961999,PC-id_2331437,ZINC22_3212512,ChEMBL-DNDi_CHEMBL1337619,CoCoCo_5792799,MCULE-4754944443,CHEMBL1337619	321.216	YZHDUEWSSUDIRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052534
Brc1ccnc(c1)NCc1cnc2n1CCCCC2	EMOLS-id_318603662,MCULE-1300169880	321.216	INKKGTAQCUHUTL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052535
Brc1cncc(c1)NCc1cnc2n1CCCCC2	EMOLS-id_318444556,MCULE-7241292239	321.216	AVCBMRUKOWEVSJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052536
CC1CN(Cc2ccncc2Br)Cc2c(C1)[nH]nc2	EMOLS-id_318946219	321.216	ZJSVSEUYSAODQL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052537
ClC(Cl)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N	PC-id_3604493	321.223	JCSNJIWHOKXOQC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-052538
BrCCCCCOC1COc2c(OC1)csc2	SCHEMBL13701402,PC-id_57838377	321.231	ACCLLDWXODWKJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052539
BrC(c1sc2CCCCCc2c1)c1ccccc1	PC-id_63437423	321.275	HAVMPFSGTVAHET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052540
O=C(Nc1ccc(C(F)F)nc1)c1coc2c1C(=O)NCCC2	MCULE-6072569992,ZINC22_906027246,PC-id_136570567,EMOLS-id_316983792	321.279	FIPIOLUIVVPZLE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-052541
c12C(=O)NCCCc1nc(NC(=O)c1[nH]c(=O)[nH]c(=O)c1)s2	ZINC22_96124395,PC-id_72720005,MCULE-7677566413,EMOLS-id_48619042	321.312	OSVCXJMOEROGRF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-052542
CCOC(=O)N1CCc2c(CC1)cc(s2)C(=O)C(F)(F)F	PC-id_66934262,SCHEMBL1181893	321.315	ZFIGQTNXJBDZQP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-052543
OC(=O)c1c(NC(=O)C(F)(F)F)sc2CCCCCCc12	PC-id_11565977,EMOLS-id_331245644,SCHEMBL4132190	321.315	UXJQGVACDOELRS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-052544
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)F)C(=O)OC	PC-id_4450044	321.315	SNWIBGQSRADKBW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-052545
c12CN(CCCc1n(nc2)C)C(=O)COc1ccc(cc1F)F	MCULE-7025840962,EMOLS-id_365246,AOP-19177709,PC-id_92566449,ZINC22_19289637	321.322	JDZNVXQUFULCAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052546
c1(C(=O)OC)cc2n(CCCN(Cc3cccc(F)c3F)C2)n1	EMOLS-id_36428802,PC-id_56704707,MCULE-9258776743,ZINC22_67654426	321.322	MXEBTZQUKPAWPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052547
Cc1cc(F)c(F)cc1C(=O)N1Cc2ccnn2CCC1CO	EMOLS-id_313817134	321.322	BAUYYCCBJOSLHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052548
Cc1cc(F)c(F)cc1C(=O)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585096716	321.322	BAUYYCCBJOSLHG-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052549
Cc1cc(F)c(F)cc1C(=O)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585096717	321.322	BAUYYCCBJOSLHG-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052550
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1OC(F)F	EMOLS-id_319940457,MCULE-5206378949	321.322	VBSBYDFAJJGIRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052551
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)OC(F)F	MCULE-7486727478,EMOLS-id_319861413	321.322	ZLBXWBIDIHPGCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052552
COc1c(cc(cc1F)F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318585657	321.322	FWFVZVMFELZKLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052553
COc1cc(F)c(cc1F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318460864	321.322	DDRSENDWWQRZOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052554
COc1cc(F)c(cc1NC(=O)c1cnc2n1CCCCC2)F	EMOLS-id_318400630	321.322	RLHWDHMPVYBHKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052555
COc1c(F)cc(cc1F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318615238	321.322	QNUKVDMMQXVJTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052556
COc1nn(c2c1CCCN(C2)C(=O)c1ccc(c(c1)F)F)C	PC-id_97404594	321.322	QYRIUYMKUVUFQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052557
O=C(c1ccc(c(c1F)F)O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319097513	321.322	PGNBVZPCFCFTCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052558
O=C(c1ccc(c(c1F)O)F)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319389370	321.322	GERCKRQXRASWPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052559
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCNCCn12	MCULE-7555648619,PC-id_118760056,EMOLS-id_68921711	321.325	LDYARRLQUIBOHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052560
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn(n1)C1CC1(F)F	EMOLS-id_318940848	321.325	FUYKZDPOIFYVSY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-052561
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnn1C1CC1(F)F	MCULE-1075784667,EMOLS-id_320272130	321.325	OLTSGTLHCOXCMS-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-052562
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCNCC2	ZINC22_299794598	321.325	LDYARRLQUIBOHE-SECBINFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052563
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCNCC2	ZINC22_299794600	321.325	LDYARRLQUIBOHE-VIFPVBQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-052564
Fc1ccc(c(c1)F)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319519452	321.325	BIANRWDSDGTNKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052565
Fc1cc(CNC(=O)N2CCCn3c(C2)cc(n3)N)cc(c1)F	EMOLS-id_319232695	321.325	KUUNAUSLWOHOKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052566
Fc1c(NC(=O)NCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_51185990	321.325	PNYRLEZERXETSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052567
O=C(c1ccn(n1)C1CC1(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_318990863	321.325	UUZSDTJKKQRISE-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-052568
O=C(c1ccnn1C1CC1(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_319245316	321.325	OBHAPLBZNJHDCU-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-052569
O=C(c1ncnc(c1)C(F)F)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_320073251,MCULE-2092630742	321.325	JKARQERLJFFENG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-052570
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccccc1C(F)F	EMOLS-id_319315721	321.325	OKMZXKKPZPUOEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052571
O=C(N1CCCn2c(C1)cc(n2)N)NCc1ccc(c(c1)F)F	EMOLS-id_319417178	321.325	SOBCXTABQWRUGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052572
Cc1ccc(cc1/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)[N+](=O)[O-]	SCHEMBL13077150	321.33	ZTTPQWWHXHSCCB-XDHOZWIPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-052573
Cc1c(cc(cc1)[N+](=O)[O-])N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478310	321.33	ZTTPQWWHXHSCCB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-052574
N#Cc1ccc(c(c1)F)S(=O)(=O)N1CCCn2c(C1)cnn2	MCULE-5025226177,EMOLS-id_319959544	321.33	JKKCHHWOVGGTBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052575
N#CC(C(=O)c1noc2c1CCCCC2)c1nc2c(o1)cccc2	EMOLS-id_101031811	321.33	KIGLFMLBOLZTIM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-052576
O(c1ccc(NC(=O)Nc2nc3-c(c2C=O)ccccc3)cc1)C	PC-id_86229579	321.33	XTTWLYKCIWLJNL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-052577
O=C(c1cccc(c1)C(=O)O)N/N=C/C1=CC=Cc2c(C1)cc[nH]2	PC-id_143217207	321.33	CKNOAKIDFQMFDY-RGVLZGJSSA-N	00000000100000110110000000000010000000000000000000000000	31-01-052578
COCCn1nc2CCN(CCn2c1=O)C(=O)c1ocnc1C	PC-id_91922423,EMOLS-id_50589987	321.332	ZTIMOQXFWKIVFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052579
c12CN(CCCn1nc(C#N)c2)Cc1nnc(c2cccnc2)o1	MCULE-6686905003,ZINC22_1506416494,EMOLS-id_316232261	321.337	GRUKTKAYTXPCBQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-052580
Cn1ncc2ncc(cc12)C(=O)N1CCCn2nc(cc2C1)C#N	ZINC22_2100482462,EMOLS-id_337688249	321.337	AWQBALCRJALWHV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-052581
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc2n(c1)cnn2	EMOLS-id_99116634	321.337	XNAWZLLQEQZRLT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-052582
C=C(C1C#CCc2c(C=C1)ocn2)CCC(=O)c1cccc(c1)F	SCHEMBL20827521,PC-id_138480488	321.345	FGMDHKHVIGERJN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-052583
F[C@@H]1CN2[C@@H](C1)CN(CC2)C(=O)c1coc2c1C(=O)NCCC2	EMOLS-id_319450951	321.347	VSDCFXOFPNQVAC-QWRGUYRKSA-N	00000010100010000101000000000110000000000000000000000000	31-01-052584
OC(=O)c1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cco2	MCULE-9219655786,EMOLS-id_318483007	321.348	UHNMTSSQAYXHSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052585
OC(=O)c1cccc(c1)S(=O)(=O)N1CCCc2c(C1)cco2	MCULE-9590405183,EMOLS-id_318481198	321.348	NSLUJRMYDHYCST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052586
FC1(CC1)C(=O)N1CCc2nnc(CN3CCCC3=O)n2CC1	ZINC22_1565550322,EMOLS-id_313727707	321.35	YWBBKVRZSRLHOB-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-052587
FC1(CC1)C(=O)N1CC(Cn2ncnc2C1)C(=O)NC1CCC1	EMOLS-id_313722073	321.35	AOYYXOCYOZRQDI-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-052588
O=C(NC1CCC1)[C@@H]1CN(C(=O)C2(F)CC2)Cc2ncnn2C1	ZINC22_1565550444	321.35	AOYYXOCYOZRQDI-SNVBAGLBSA-N	00101000100000000101000000000010000000000000000000000000	31-01-052589
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C(N1CC(Cn2cccc2C1)Oc1ncccn1)c1ccccn1	EMOLS-id_313781905	321.376	CJASJJPAOAIDRX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052675
C(N1CC(Cn2cccc2C1)Oc1ncccn1)c1cccnc1	EMOLS-id_313781649	321.376	QMARTCMVGBXSRG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052676
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)c1ccc[nH]1	ZINC22_2356135976,MCULE-1502030892,EMOLS-id_337763569	321.376	BCCNSUXQLHPPLR-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-052677
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccnc(c1)C1CC1	EMOLS-id_99279691	321.376	KDCGXGCFQXTWCD-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-052678
N#CC(=Cc1ccc(cc1)C(=O)NC)c1nnc2n1CCCCC2	PC-id_72028618,EMOLS-id_44524682,MCULE-5442656397	321.376	YPSGCHRRAOQXJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052679
N#C/C(=Cc1ccc(cc1)C(=O)NC)/c1nnc2n1CCCCC2	PC-id_97973541	321.376	YPSGCHRRAOQXJA-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052680
N#C/C(=C/c1ccc(cc1)NC(=O)C)/c1nnc2n1CCCCC2	CoCoCo_3456286,PC-id_75460340	321.376	BBNMIEGUTUXRME-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052681
N#C/C(=Cc1ccc(cc1)NC(=O)C)/c1nnc2n1CCCCC2	GD-id_ZINC05069596,PC-id_6058908,CoCoCo_3456285	321.376	BBNMIEGUTUXRME-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052682
N#CC(=Cc1ccc(cc1)NC(=O)C)c1nnc2n1CCCCC2	PC-id_4287499,MCULE-9031109043,EMOLS-id_26092797	321.376	BBNMIEGUTUXRME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052683
O=c1cnc(c2ccccc2)cn1Cc1nnc2n1CCCCC2	EMOLS-id_99138143,ZINC22_333479620,MCULE-7117273648	321.376	FJIQEOPHMLLAIN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-052684
O=C(c1ccccc1c1ncc[nH]1)N1CCCc2c(C1)cnn2C	EMOLS-id_319120448	321.376	RPSHYZLLGBFFFD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-052685
O=C(c1cccnc1)N1CCCn2cnc(Cn3cccc3)c2C1	PC-id_97519547,ZINC22_96259463,EMOLS-id_44370476	321.376	ODEAFEBECBQSMF-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-052686
O=C(c1n[nH]c2c1CCCCC2)Nc1ccccc1c1cc[nH]n1	EMOLS-id_316686529	321.376	HTXRLOYFDOROOE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-052687
O=C(N1CCCc2c(C1)cnn2C)c1ccc(cc1)c1c[nH]cn1	EMOLS-id_316717074	321.376	CGRCPOHJHAJQBQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-052688
O=C(NC)c1ccc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1	PC-id_60413765	321.376	YPSGCHRRAOQXJA-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052689
O=C(N1CCNC(=O)C1C(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102163330	321.378	FWVPBWHYDQCQGM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052690
O=C(N1CCN(C(=O)C1)C(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102167059	321.378	YWOVWSURAYJADM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052691
O=C(NC1CN(C(=O)C1)C(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102179817	321.378	PCYKRCACGLIXPN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052692
c1ccc(nc1)c1ccnc(n1)NCc1nnc2n1CCCCC2	PC-id_74230971,MCULE-5072648695,EMOLS-id_49640724	321.38	GKUZJLLLWXRFGT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-052693
c1cncc(c2ccnc(NCc3nnc4n3CCCCC4)n2)c1	ZINC22_96163805,PC-id_72920333,MCULE-8662510174,EMOLS-id_49171678	321.38	LENLKESWNUCVBG-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-052694
s1c2CCCCCCc2cc1C(=O)Nc1c(F)cccc1F	PC-id_52437250	321.385	PMINDBCVSQUUFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052695
CC(CCS(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C)(F)F	EMOLS-id_320181785,MCULE-1574273803	321.387	HWKYMOLBOYVGBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052696
FC(CC(CS(=O)(=O)N1CCCc2c(C1)cnn2C)C)F	EMOLS-id_319886607,MCULE-7320044150	321.387	HIOKFCWZRKVOQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052697
FC(CC(CS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)C)F	EMOLS-id_318790641	321.387	UEIMXEJEHHZSOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052698
FC(C(CS(=O)(=O)N1CCCc2c(C1)cnn2C)(C)C)F	EMOLS-id_320291995,MCULE-5486795047	321.387	DWYFQTIAHNECBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052699
s1c(c2OCC(OCCCS(=O)(=O)[O-])COc2c1C)C	PC-id_58479006	321.39	POIALOIDEYIPDG-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-052700
CCOc1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99298102	321.391	CIHLMXPSGWMAIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052701
CCOc1cccc(c1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99300583	321.391	YBUTZIPMWXHNOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052702
COc1ccc(cc1C)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99299416	321.391	WWZLZABJLHNCPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052703
COc1ccc(c(c1)C)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99301804	321.391	KPMCVJXJPCUTLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052704
COCc1ccccc1S(=O)(=O)N1CCCc2occc2C1	MCULE-6396401794,EMOLS-id_99307475,ZINC22_329343125	321.391	SWZYHEAWNAJSFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052705
FC1(CC1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	ZINC22_1565545335,EMOLS-id_313730520	321.393	ZWAWDRQZVOAOPX-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-052706
FC1(CCC1)C(=O)N1CCCn2c(CN3CCCC3)nnc2C1	EMOLS-id_313784985,ZINC22_585110546	321.393	CACGERIHAFJZGV-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-052707
FC1CC(C1)C(=O)N1CCCn2c(CN3CCCC3)nnc2C1	ZINC22_585110548,EMOLS-id_313731538	321.393	JCFONWOGRZDGDI-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-052708
FC1(CCC1)C(=O)N1CCCn2nnc(CN3CCCC3)c2C1	EMOLS-id_313731547,ZINC22_1565549608	321.393	VLRZJBAVPJSOMF-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-052709
c
(=NC(=O)CCc2onc(OC)c2)/sc2c(CCCCC2)[nH]1	STOCK7S-31845,EMOLS-id_44207365,ZINC22_79479027,MCULE-2329369410,PC-id_60181073,EMOLS-id_46567365	321.395	JRVZGVILGLPXND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052710
Cc1cc(C)cc(OCc2nnc3n2CCS(=O)(=O)CC3)c1	ZINC22_630950671,MCULE-2679466231,EMOLS-id_313166657	321.395	DXGISZGVZQBYJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052711
Cc1ccc(C)c(OCc2nnc3n2CCS(=O)(=O)CC3)c1	ZINC22_630951079,MCULE-5071931292,EMOLS-id_313166913	321.395	HROUWFIANLTCJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052712
Cc1ccc(C(=O)N2CCCn3nc([C@H](O)CO)cc3C2)s1	PC-id_100066010,ZINC22_221211296	321.395	HWPVCENCZFFRLZ-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052713
Cc1ccc(C(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)s1	ZINC22_221211348,PC-id_100066011	321.395	HWPVCENCZFFRLZ-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052714
Cc1ccc(OCc2nnc3n2CCS(=O)(=O)CC3)cc1C	MCULE-4173785316,EMOLS-id_313167169,ZINC22_630952072	321.395	VSLVAYYNGOTFFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052715
Cc1ccc(s1)C(=O)N1CCCn2nc(cc2C1)C(O)CO	MCULE-1687528466,PC-id_90651515,EMOLS-id_50541167	321.395	HWPVCENCZFFRLZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052716
Cc1onc(c1)COCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319697914	321.395	YSXWEVQJMUCUKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052717
CCc1ccccc1OCc1nnc2n1CCS(=O)(=O)CC2	MCULE-2609487544,EMOLS-id_316314514	321.395	HXMJSEVFKUQBJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052718
CCc1noc(COCC(=O)N2CCCCc3sccc23)n1	MCULE-2742162440,ZINC22_935789717,PC-id_136565103,EMOLS-id_313185869	321.395	MBZYDABASAZGSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052719
CCOc1ccsc1C(=O)N1Cc2ccnn2C[C@H](OC)C1	ZINC22_247829248	321.395	GYNXYDHVYSUBTO-GFCCVEGCSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052720
CCOc1ccsc1C(=O)N1Cc2ccnn2C[C@@H](OC)C1	ZINC22_247829250	321.395	GYNXYDHVYSUBTO-LBPRGKRZSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052721
CCOc1ccsc1C(=O)N1CC(Cn2nccc2C1)OC	EMOLS-id_50011438	321.395	GYNXYDHVYSUBTO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052722
CCOC(=O)c1nc2c(s1)N(Cc1conc1C)CCCC2	EMOLS-id_317029128,MCULE-8003740300,PC-id_136571459,ZINC22_1615605413	321.395	OLOCWVXLBHMEHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052723
CCOC(=O)c1nc2c(s1)N(CCCC2)Cc1ocnc1C	MCULE-6632802968,EMOLS-id_316497009	321.395	RBEKFXNNPSBXAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052724
CCS(=O)(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575404729	321.395	NUCJARVDGJKOKY-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052725
CCS(=O)(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575404733	321.395	NUCJARVDGJKOKY-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052726
CCS(=O)(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751191	321.395	NUCJARVDGJKOKY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052727
Cn1c(Cn2c3c(sc2=O)CCCCC3)cc(=O)n(C)c1=O	MCULE-1119127235,ZINC22_79090110,PC-id_72015594,EMOLS-id_49016229	321.395	HXYXOIXYOATNSR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-052728
Cn1c(=O)c2c(n1C)CCCN(C2)S(=O)(=O)c1ccccc1	PC-id_97471112	321.395	QJNUAIDLHKIGPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052729
COc1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945976	321.395	RIQKGTOCAKMVKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052730
COc1ccccc1S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318830792	321.395	QWDVNNHDCHHVBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052731
COc1cccc(c1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320073069,MCULE-9952550065	321.395	MICOUQBJUJVEMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052732
COc1ccc(CCc2nnc3n2CCS(=O)(=O)CC3)cc1	MCULE-3339795039,PC-id_136557097,ZINC22_630951248,EMOLS-id_316951627	321.395	JTTFCZQZFLRXET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052733
COc1noc(c1)CCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318991193	321.395	MQCMSAXWEDSVJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052734
COCC1CN(Cc2nccn2C1)S(=O)(=O)c1ccccc1	EMOLS-id_44325791	321.395	STGBWJGOWVJWNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052735
COC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1	ZINC22_96187758,PC-id_97462213	321.395	STGBWJGOWVJWNN-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052736
COC[C@@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1	ZINC22_96187759,PC-id_97462214	321.395	STGBWJGOWVJWNN-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052737
CS(=O)(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_247518939	321.395	KVVOFVPNTJCAAR-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052738
CS(=O)(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_247518945	321.395	KVVOFVPNTJCAAR-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052739
CS(=O)(=O)N1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_50374473	321.395	KVVOFVPNTJCAAR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-052740
n1c(C(CO)O)cc2CN(CCCn12)C(=O)Cc1cccs1	EMOLS-id_55622020,MCULE-4177864835,PC-id_91766828	321.395	CGHJCRBLRUKCQZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052741
O=C1CC(CC(=O)N1)CC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_318958579	321.395	NKCJKXKCISQCLY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-052742
Oc1onc(n1)CN(C(=O)c1sc2c(c1)CCCCCC2)C	EMOLS-id_318227997	321.395	KVPPIJHQWBCEAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052743
OCc1ccc(cc1)CS(=O)(=O)c1nnc2n1CCCCC2	PC-id_110004755	321.395	RBQMVNMHTHCRRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052744
O=C(CC1CC(=O)NC1=O)Nc1sc2c(n1)CCCCCC2	MCULE-1179939412,EMOLS-id_258188848	321.395	VXUSZSBVSJLNLJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052745
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1cccs1)O	PC-id_99973068	321.395	CGHJCRBLRUKCQZ-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052746
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1cccs1)O	PC-id_99973070	321.395	CGHJCRBLRUKCQZ-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052747
OCC(NC(=O)c1noc2c1CCCCC2)Cc1scnc1	MCULE-3787664515,EMOLS-id_258165868	321.395	IDNIZNZQJGLYLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052748
O=C(N1CCCCc2c1sc(n2)C)CCN1C(=O)CCC1=O	EMOLS-id_318786746	321.395	FFLPAGLMDWLWBF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-052749
O=C(O)CCCc1nc(CN2CCCc3sccc3C2)no1	MCULE-2630439046,ZINC22_652410979,EMOLS-id_316899768	321.395	PJXBTMPTVNQWCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052750
s1c2CCCCCc2cc1C(=O)NNC(=O)C(=O)NC1CC1	PC-id_9506596	321.395	LMTGKECJBTXWGV-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-052751
S(c1n2CCCCCc2nn1)Cc1oc(c(c1)C)C(=O)OC	PC-id_60433473	321.395	GNIMGLCQMLZIMF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-052752
S(c1n2CCCCCc2nn1)Cc1oc(c(c1)C(=O)OC)C	PC-id_7877010	321.395	YJIDHSFXVAZORO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-052753
Cc1scc(n1)c1cccc(c1)Nc1nc2=CC=CCC=c2o1	PC-id_143409067	321.396	KZYNFPGZSOCVEQ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-052754
CCOP(=S)(Oc1nc2c(s1)CCCCC2)OCC	PC-id_88832108,SCHEMBL11780989	321.396	VJKRNBSRFXTHMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052755
N#Cc1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	ZINC22_13004613,PC-id_25663728,MCULE-9584845275,CoCoCo_3268372,EMOLS-id_18920199	321.396	SEOMHNZLNMVGAZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052756
s1c2CCCCCc2c(c1NC(=O)c1ccc(cc1)C#N)C#N	PC-id_962562	321.396	XDGHQKKOKLQOQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-052757
Cc1ccc(c(c1)C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026497	321.398	BYVHOVZQYBYTPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052758
Cc1cc(ccc1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026500	321.398	FOBNSHPHPCWTTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052759
Cc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102026503	321.398	WLYFOUXYJYQEEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-052760
Cc1ccc(CNC(=O)NCc2nnc3n2CCOCC3)s1	EMOLS-id_320314829,MCULE-2356675487,ZINC22_1615590592	321.398	LRUKUMOCHQGGKS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-052761
Cc1cc(NC(=O)CCSc2nnc3n2CCCCC3)no1	PC-id_45796680,ZINC22_40465555,CoCoCo_4096196,EMOLS-id_29967632,MCULE-3800429619	321.398	CNGHNSGFUKDLDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052762
Cc1cc(NC(=O)[C@H](C)Sc2nnc3n2CCCCC3)no1	CoCoCo_4173161,ZINC22_12593464,PC-id_25382102	321.398	FNGAJBWNOOMDKR-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-052763
Cc1cc(NC(=O)[C@@H](C)Sc2nnc3n2CCCCC3)no1	CoCoCo_4173162,ZINC22_12593459,PC-id_25382095	321.398	FNGAJBWNOOMDKR-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-052764
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C1CCC(CC1)CCC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625309	321.438	QENFXOMZIDBYDY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053052
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CC1CCN(CC1)C(=O)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110327230	321.438	DFLDRMVMFLLWJK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053057
CC1CN(CCC1=O)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110583962	321.438	GSLGHLYYFOIOGL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053058
Cc1sc2c(n1)CCCCN2C(=O)C1CCCC(C1)C(=O)N	EMOLS-id_319694128	321.438	NAHSUGCEIKKJEU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053059
Cc1sc2c(n1)CCCCN2C(=O)C1CCCN(C1)C(=O)C	EMOLS-id_318794559	321.438	VKQBZJQKFRDQDR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053060
CC(C)C(=O)N1CCc2nc(C(=O)N3CCCC3)sc2CC1	EMOLS-id_44304040,ZINC22_96147036,PC-id_97442560	321.438	XUXNFAGATPKWON-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053061
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C=C[C@@H]1OCC[C@H]1NC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101432061	321.438	OEABGSAUFAHNBG-YPMHNXCESA-N	00000010100000000101000000000010000000000000000000000000	31-01-053063
CCCN1CC(CC1=O)C(=O)N1CCCCc2c1sc(n2)C	MCULE-3355467314,EMOLS-id_320162471	321.438	YJFGGTHINWDTSV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053064
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c1(sc(nc1CC)C)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_36795615,EMOLS-id_46564446,STOCK7S-26258,MCULE-5105336641,ZINC22_72402407,PC-id_60175058	321.461	KBZBLNMXPNDMCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053120
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)s1	ZINC22_7822049,CoCoCo_3968345,PC-id_8941856,EMOLS-id_11714323,MCULE-5714728566	321.461	DFNKFKRORSEEKE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053121
Cc1cc(c(s1)C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3968347,CoCoCo_3968348	321.461	YDNIDVOTBPKOOQ-UKTHLTGXSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053122
Cc1cc(c(s1)C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3968349,CoCoCo_3968346	321.461	YDNIDVOTBPKOOQ-LCYFTJDESA-N	00000000100100000101000000000010000000000000000000000000	31-01-053123
Cc1csc(n1)CCC(=O)N1CCCCc2c1sc(n2)C	MCULE-7092582944,EMOLS-id_319906215	321.461	IBGPVDJQYWSMNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053124
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc(s1)C(C)C	EMOLS-id_319190299	321.461	VYPHVOFKRUPRFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053125
Cc1sc(c(n1)C)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319912347,MCULE-5542594179	321.461	DTZASRKFYJYPRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053126
Cc1sc(c(n1)C)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644597	321.461	CERKEBFGAALKMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053127
CCc1nc(c(s1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319375971	321.461	UHMFHNWAKKYDPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053128
CCc1nnc(NC(=O)c2cc3c(s2)CCCCCC3)s1	PC-id_24235287,CoCoCo_3194767,EMOLS-id_17170562,ZINC22_12776968,MCULE-9923170445	321.461	UYZUBJWATSKUNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053129
CC(c1nnsc1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_101667686	321.461	SALVLIWNUAKLQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053130
CCCc1ncc(s1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-2938364708,EMOLS-id_319820763	321.461	VAYQZKVOXBVDRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053131
CC(C)CCN1CCc2nnc([C@H](C)NC(=O)C(C)C)n2CC1	CoCoCo_1386514,CoCoCo_1386513,PC-id_26347934,ZINC22_14992802	321.461	OQCCKRMRECMPAY-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053132
CC(C)CCN1CCc2nnc([C@@H](C)NC(=O)C(C)C)n2CC1	PC-id_26347930,CoCoCo_1386512,CoCoCo_1386511,ZINC22_14992800	321.461	OQCCKRMRECMPAY-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053133
CCC[C@H](C)CN1CCCn2nc(CNC(=O)N(C)C)cc2C1	PC-id_96576362,ZINC22_82116065	321.461	IGLAFTVGLXDLQB-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053134
CCC[C@@H](C)CN1CCCn2nc(CNC(=O)N(C)C)cc2C1	ZINC22_82116062,PC-id_96576361	321.461	IGLAFTVGLXDLQB-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053135
CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(CC(C)(C)C)CC2	CoCoCo_1340131,ZINC22_12191103,CoCoCo_1340132	321.461	PQUHJAAZZBQNBC-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053136
CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(CC(C)(C)C)CC2	CoCoCo_1340134,CoCoCo_1340133,ZINC22_12191102	321.461	PQUHJAAZZBQNBC-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053137
CC(C)OCCN1CCN(Cc2nnc3n2CCCCC3)CC1	MCULE-6756195857,ZINC22_42596820,EMOLS-id_31877354,PC-id_51075939	321.461	VRFYYTYWMCBRFG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053138
CCNc1nc(c(s1)C(=O)N1CCCc2c(C1)ccs2)C	MCULE-3910153392,EMOLS-id_318707147	321.461	BQPPPQOBGMINCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053139
NCCCCCCC(=O)NCCCc1nnc2n1CCCCC2	PC-id_119872031	321.461	KBNQXHMMNPAIMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053140
O=C(c1c(C)nsc1C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100825226	321.461	GUDXEBJQCWWEKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053141
O=C(Nc1nc2c(s1)CCCCC2)NCCc1cccs1	PC-id_112825160	321.461	HMEPIVXDCMYYKC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053142
O=C(NCc1nn2c(CN(CC(CC)CC)CCC2)c1)N(C)C	PC-id_70765659	321.461	KAZOMEVOZNKSSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053143
s1c2c(CCCCC2)c(c1NC(=O)C1NCCSC1)C#N	PC-id_82896864	321.461	OEJMIGCUKKILAI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053144
S(c1n2CCCCCc2nn1)CCCC(=O)c1sccc1	PC-id_43413550	321.461	SREKQAIYKXTLIZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053145
S(c1n2CCCCCc2nn1)CC(=O)c1sc(CC)cc1	PC-id_43222152	321.461	LTIOQJRCCMMSLS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053146
C1CCn2c(CC1)nnc2Sc1snc(n1)C1CCCC1	EMOLS-id_102029921	321.464	HIWWXKAOVUGNFU-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-053147
COCCN(C(=O)c1cc2c(s1)CCCCC2)C1CCCC1	PC-id_56808103,ZINC22_71801107,EMOLS-id_36997249,MCULE-4123506649	321.477	PLEDCILCNJUEST-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-053148
OCC1CCC(N(C1)C(=O)c1sc2c(c1)CCCCCC2)C	PC-id_109879668	321.477	XGOIJOCSXCGMJF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-053149
s1c2c(CCCCCC2)cc1C(=O)N(CC1CCOC1)CC	PC-id_75822477	321.477	MKJVFBRZQHKOTM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-053150
s1c2CCCCCCc2cc1C(=O)NCCCOCC1CC1	PC-id_52487907	321.477	KURKAJZHYMSZBP-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-053151
s1c2c(CCCCCC2)cc1C(=O)N(C[C@H]1CCOC1)CC	PC-id_52305981	321.477	MKJVFBRZQHKOTM-CQSZACIVSA-N	00000010100000000100000000000010000000000000000000000000	31-01-053153
CC1CCNC(C1)C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_320114731,MCULE-5382980948	321.481	BRPQWXLLJOVGIY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053154
CC1NCCCC1C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319403237	321.481	WRQVAOSYPQTYKB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053155
CC(CN1CCCC1)CNC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318044762	321.481	WPWAWKQJFWMKDX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-053156
CCCN1CCC(CC1)NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318298496	321.481	IILNUCGFNZMGJJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-053157
CN1CCc2c(CC1)cc(s2)C(=O)N1CCC[C@H]1CN(C)C	PC-id_145481253	321.481	DWJARMWHLLUVDM-AWEZNQCLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-053158
CNC1C(=O)N(CCc2c1scc2)CC1CCCN(C1)CC	PC-id_23554752,SCHEMBL14171074	321.481	VMJRVMRVIKGTKB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-053159
CNC1C(=O)N(CCc2c1scc2)CC1CCN(CC1)CC	SCHEMBL14171083,PC-id_23554756	321.481	PLXNNBNUTOLYPJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-053160
NC1CCC(CC1)C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319222473	321.481	RBRZLZYHYLKRHA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053161
NCC1CCCC1C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319008341	321.481	VVJOHIZCYZSCEW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053162
N[C@@H]1CCCC[C@@H]1C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_318842600	321.481	GZMUPQOEORXZCP-QWHCGFSZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053163
N[C@@H]1CCC[C@H](C1)C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319036383	321.481	BTDYGABDLFNHSS-CHWSQXEVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053164
N[C@@H]1CCC[C@@H](C1)C(=O)NCCc1nc2c(s1)CCCCC2	MCULE-5351786263,EMOLS-id_320181861	321.481	BTDYGABDLFNHSS-QWHCGFSZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053165
N[C@@H]1CC[C@@H](CC1)C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319222217	321.481	RBRZLZYHYLKRHA-BETUJISGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053166
N[C@@H]1CC[C@H](CC1)C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319365576	321.481	RBRZLZYHYLKRHA-JOCQHMNTSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053167
O=C(c1cc2c(s1)CCCCC2)NCCCN1CCNCC1	EMOLS-id_301229948,MCULE-3123607396,PC-id_119391702	321.481	CTQZYCKUXRSEHY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053168
O=C(C1CNCC1(C)C)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319650122	321.481	UMSRHDFWFSQDKC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053169
O=C(C1NCC(C1)(C)C)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319214125	321.481	DPLNBHPUCABTNM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053170
O=C(c1sc2c(c1)CCCCCC2)N1CCNCCNCC1	EMOLS-id_319361706	321.481	AYVHANZGHYUWOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053171
O=C(c1sc2c(c1)CCCCCC2)NCCN1CCNCC1	EMOLS-id_301325878,PC-id_119446059,MCULE-6689262163	321.481	GRKBDGQOKKVGGC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053172
O=C(CC1CCNCC1)NCCc1nc2c(s1)CCCCC2	MCULE-9077987103,EMOLS-id_320045576	321.481	NWOFUHBYKWQCRT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053173
Brc1cc(OC2CCN(Cc3occc23)C)ccc1	PC-id_68410478	322.197	JIHTYSWDLVVBQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053264
O=C(CC(C1CCCNC1)C)Nc1nc2c(s1)CCCCC2	MCULE-3337295126,PC-id_119700451,EMOLS-id_301829557	321.481	GAEVBSRCHLFIIA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053174
O=C(CC(C1CCNCC1)C)Nc1nc2c(s1)CCCCC2	MCULE-9450763146,EMOLS-id_301827510,PC-id_119700465	321.481	RWJMCBMXRHVDNE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053175
O=C(C[C@@H]1CCC[C@H]1N)NCCc1nc2c(s1)CCCCC2	MCULE-1947306203,EMOLS-id_319918949	321.481	NRGOQIKBILSCFP-QWHCGFSZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053176
O=C(C[C@@H]1CCCNC1)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319085769	321.481	ILVHDQRTPIVPPB-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053177
O=C(N1CCCCc2c1sc(n2)C)C1CCN(CC1)C(C)C	EMOLS-id_320188521,MCULE-6591840258	321.481	NZBVZYHYIVWFPG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053178
O=C(N1CCCCc2c1sc(n2)C)C(N1C(C)CCC1C)C	MCULE-2701122640,EMOLS-id_320182930	321.481	BFFYRCRAQAZQAZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053179
O=C(Nc1sc2c(n1)CCCCCC2)CCC1CCNCC1	EMOLS-id_302031540,MCULE-5766935072,PC-id_120145855	321.481	UBQJOLDMRFUTAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053180
[Si](OCc1nc2n(c1CO)C=CC(=NC2)C)(C(C)(C)C)(C)C	PC-id_59932308	321.49	MITHHTFAEKSXEK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-053181
CCC1=C(C)N=c2c(=C(C1)C)cc(s2)C(=O)SC(C)(C)C	PC-id_143185776	321.501	NXISDSXSXPKANR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-053182
s1c2c(CCCCC2)cc1C(=O)NCC[NH+]1C(CCCC1)C	PC-id_75881440	321.501	XDMUXMGYTPUERR-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-053183
s1c2c(CCCCC2)cc1C(=O)NCC[NH+]1[C@@H](CCCC1)C	PC-id_52609360	321.501	XDMUXMGYTPUERR-CQSZACIVSA-O	00000000100010000100000000000010000000000000000000000000	31-01-053184
s1c2c(CCCCC2)cc1C(=O)NCC[NH+]1[C@H](CCCC1)C	PC-id_52609362	321.501	XDMUXMGYTPUERR-AWEZNQCLSA-O	00000000100010000100000000000010000000000000000000000000	31-01-053185
s1c2c(CCCCCC2)cc1C(=O)NC1CC[NH+](CC1)CC	PC-id_29093054	321.501	VZTKVXOWYGJJFY-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-053186
s1c2c(CCCCCC2)cc1C(=O)NCC[NH+]1CCCCC1	PC-id_52528193	321.501	SLEXCZVTIVJJHO-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-053187
s1c(C(=O)NC2CC[NH+](CC2)C(C)C)cc2CCCCCc12	PC-id_42562594	321.501	WEDYXJBRVYBHTA-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-053188
s1c(C(=O)NC2CC[NH+](CC2)CCC)cc2CCCCCc12	PC-id_9264790	321.501	KOYOHJVOKNPHPA-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-053189
NNC(c1cc2c(s1)CCCCC2)Cc1nc(c(s1)C)C	PC-id_105326705	321.504	GYVALRIOTBLXHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053190
CCCCC(CN1C=C(C)SC(=C)c2c1cc(s2)C)CC	PC-id_145276317	321.544	KWKMVGUQAWVZMI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-053191
ClC1C=CC=Nc2c1c(c[nH]2)C(=O)c1c(F)ccc(c1F)N	PC-id_144086813	321.709	FHCHOQVFXDPLMX-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-053192
CCOC(=O)c1c(N)c(c2-c1cc(Cl)ccc2)C(=O)OCC	PC-id_102370781	321.756	XOQCOEFXRASMEZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053193
Clc1c(CN2CCc3c(oc(OC(=O)O)c3)CC2)cccc1	PC-id_70555531,SCHEMBL11291224	321.756	MDELDOQRSSZILL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053194
Clc1cc(oc1)C(=O)c1n2c(C(CCCC2)C(=O)O)cc1C	PC-id_20484103,SCHEMBL11199461	321.756	RDABCQVQLJXGTH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-053195
Clc1c(occ1)C(=O)c1n2c(C(CCCC2)C(=O)O)cc1C	SCHEMBL11200554,PC-id_20483785	321.756	NTFDFQRGGSFNEZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-053196
Clc1oc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2C)cc1	PC-id_20484233,SCHEMBL11202763	321.756	MVHZIPNHJQPJCD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-053197
c1(c(Cl)cnc(C)n1)C(=O)N1CCCn2nc(CO)cc2C1	PC-id_91761968,EMOLS-id_55608376,MCULE-7147692320	321.762	AUVVQYGUCGOPHV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-053198
O=C(c1cc(Cl)c(cc1C)O)NC1CCn2c(CC1)nnn2	EMOLS-id_318874609	321.762	WDVAFXSZLLNCTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053199
CCc1ncc(c(n1)C(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_319855072,MCULE-5933053604	321.765	RBGLJIAEZXYAPH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-053200
O=C(Nc1cncc(c1C)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102022765	321.765	FRXHKSUEAHYGAC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053201
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(Cl)ccc(c1C)F	EMOLS-id_319512454	321.777	UXHLNQJOQLUQNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053202
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1Cl)F	EMOLS-id_320184388,MCULE-4180770865	321.777	YRYKQXBJLUCDRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053203
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cccc(c1F)Cl	EMOLS-id_320061885,MCULE-1330921130	321.777	ZZLSXNHVQCZXIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053204
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c(F)cccc1Cl	EMOLS-id_319337135	321.777	URBYYGPIDXIAJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053205
c12C(=O)NCCCc1nc(NC(=O)c1ccccc1Cl)s2	ZINC22_808144,MCULE-7424252436,PC-id_1089144,EMOLS-id_1497721,CoCoCo_366092,SCHEMBL3590257,BAS-07338210	321.782	QPUXBXCQOUTLDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053206
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(ccc1)Cl	PC-id_90625344	321.782	JDCRWRHTVZWBBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053207
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(cc1)Cl	PC-id_90625345	321.782	XAHQKKDDZGABOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053208
Clc1cc(Sc2nnc3n2CCCCC3)n2c(n1)ncn2	PC-id_102919293	321.789	XKDGQSWOQDYDJF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-053209
Clc1nc(Sc2n3CCCCCc3nn2)c2c([nH]nc2)n1	PC-id_81909100	321.789	FPBFQSUYJUAMGT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-053210
Clc1nc(Sc2nnc3n2CCCCC3)c2c(n1)nc[nH]2	PC-id_104787510	321.789	ZBFVYSMHCPOXNR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-053211
c12cncn1CCCN(Cc1ccc(c(OC)c1Cl)OC)C2	ZINC22_72133321,MCULE-5671012372,EMOLS-id_43078139,PC-id_56887215	321.802	PQOJFUOIWCHACU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053212
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1nc(c(c1C)Cl)C	MCULE-8959881981,EMOLS-id_320273899	321.805	LVDBIOGNYNGTOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053213
ClCCN(C(=O)c1cc2c(s1)CCCCC2)CC(F)F	PC-id_107491149	321.814	XSSDYOCYIGFRGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053214
CCCC(CCC)NC(=O)c1cc2-c(nc([o+]2)CCl)ccc1	PC-id_137427155	321.822	AGJZYXAPCHBJJG-UHFFFAOYSA-O	00000010100000000111000000000010000000000000000000000000	31-01-053215
Clc1ccc(CN2CCc3c(sc(c3)C(=O)O)CC2)cc1	PC-id_13072048	321.822	LBOMGBBRYALNBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053216
Clc1cc(NC(=O)c2sc3CCCCCc3c2)ccc1O	PC-id_63937919	321.822	VISABQDNUWINOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053218
Clc1c(NC(=O)c2sc3CCCCCc3c2)ccc(O)c1	PC-id_64788914	321.822	AVWYEUJPIQRTNE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053219
Clc1c(O)cc(NC(=O)c2sc3CCCCCc3c2)cc1	PC-id_64787313	321.822	ZYBIPGPQUHYBOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053220
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCCCC2)n1	EMOLS-id_16329830,PC-id_20966624,CoCoCo_2552404,MCULE-1405813803	321.825	NOLXFKAPBVEIFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053221
Cc1cc(Cl)nc(n1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_108205792	321.825	UBQPZJDYJNOGGF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-053222
Clc1ccc(cc1)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_1824951,CoCoCo_1824954	321.825	AUBAUSXOQSXCEW-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053223
Clc1ccc(cc1)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_1824952,CoCoCo_1824953	321.825	AUBAUSXOQSXCEW-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053224
Clc1ccc(c(c1)C[N@@H+]1CCn2c(CC1)nnc2C(C)C)O	GD-id_ZINC11995902	321.825	DEHJNOBPFCNWGW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-053225
Clc1ccc(cc1)C(=O)CSc1nnc2CCCCCn12	CoCoCo_1824950,CK2067646,EMOLS-id_10010950,PC-id_3309475,ZINC22_93165,MCULE-4235309674	321.825	ICFGLROYIHXSKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053226
Clc1ccc(nc1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319349414	321.825	MPIFLHCJJAUSDA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053227
Clc1cc(C(=O)CSc2n3CCCCCc3nn2)ccc1	PC-id_43413559	321.825	ZSPRLTXCNPNYHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053228
Clc1c(C(=O)CSc2n3CCCCCc3nn2)cccc1	PC-id_43413552	321.825	ROBFVBMWIYLYMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053229
Clc1cc(Sc2n3CCCCCc3nn2)ccc1C(=O)C	PC-id_64327858	321.825	WIOCDOSOUKMYTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053230
Clc1c(Sc2n3CCCCCc3nn2)ccc(c1)C(=O)C	PC-id_62910432	321.825	VQCUODDPPSWDHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053231
Clc1ncc(C(=O)Nc2sc3CCCCCCc3n2)cc1	PC-id_60571720	321.825	VRLSZBGECMVZKT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053232
n1c2CCCCCn2nc1SCC(=O)c1ccc(cc1)Cl	ZINC22_396055,SPECS-id_AT-225/JK09947,PC-id_5110412,MCULE-3847926888,CoCoCo_6600700,CoCoCo_6600699,Chemmine_54431	321.825	KLKHMPOCAMBNBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053233
Nc1ccc(c(c1)Cl)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_119700449	321.825	SYALWCGHYAHQKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053234
O=C(c1ccncc1Cl)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111227200	321.825	LWMUCAHALNEDMC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053235
O=C(N1CCCCc2c1sc(n2)C)Cc1ccncc1Cl	EMOLS-id_319982719,MCULE-1745939040	321.825	CYTABTMDHVXQIX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053236
Clc1cc(c(Sc2n3CCCCCc3nn2)cc1)C(=N)N	PC-id_62494794	321.828	SJOFRIPTECWJGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053237
Clc1c(c(Sc2n3CCCCCc3nn2)ccc1)C(=N)N	PC-id_62496373	321.828	KOBCUDXPJPLORU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053238
Clc1cc(Sc2n3CCCCCc3nn2)ccc1C(=N)N	PC-id_62947381	321.828	HORJOGAPOBGFPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053239
Clc1cc(Sc2n3CCCCCc3nn2)c(cc1)C(=N)N	PC-id_63092854	321.828	GKXAIHVLYGXEKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053240
Clc1c(Sc2n3CCCCCc3nn2)ccc(c1)C(=N)N	PC-id_63088922	321.828	KADZJJQRXVOGLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053241
Clc1nc(nc(Sc2n3CCCCCc3nn2)c1)C1CC1	PC-id_80947121	321.828	DYSGTOGPUKRXFY-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-053242
Clc1cc(C(N)c2sc3c(CCCCC3)c2)ccc1OC	PC-id_43464570	321.865	GEIJJTJWZMBRAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053243
Clc1c(cc(OC2CCN(Cc3c2scc3)C)cc1C)C	PC-id_68410051	321.865	JILFITBGSKKTFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053244
Clc1c(C(N)c2sc3c(CCCCC3)c2)ccc(OC)c1	PC-id_43561847	321.865	SMKDDYWXZZBAOU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053245
COc1ccc(cc1C(c1cc2c(s1)CCCCC2)N)Cl	PC-id_104545818	321.865	XNTISHSQFBLSDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053246
COc1cc(ccc1Cl)C(c1cc2c(s1)CCCCC2)N	PC-id_105007125	321.865	POLFDUAXQPPETO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053247
C1CN(CCc2c1nc(s2)N)CCCc1ccccc1Cl	SCHEMBL9872341,PC-id_88528018	321.868	VKDGUTVKVDVKDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053248
Clc1ccc(cc1)CCCN1CCc2c(CC1)nc(s2)N	PC-id_19985816,SCHEMBL7283251	321.868	XUFMGBLVTAALOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053249
NNC(c1cc2c(s1)CCCCC2)Cc1ccncc1Cl	PC-id_105314660	321.868	UEXQBZCBQRIXTG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-053250
CC1=C(C2=C(S1)C(=O)CCC(=O)O2)I	PC-id_164166315	321.916	ZRLIDQJBQMXZAI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053251
Brc1c2CC(=O)CNC(=O)c2[nH]c1Br	PC-id_59563526,SCHEMBL13042350	321.953	CQEFFZQJDNWGLL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053252
[nH]1c2C(=O)NCCC(=O)c2c(c1Br)Br	PC-id_68637206,SCHEMBL3424550,CNP0435517,CMNPD16958	321.953	WTCVOITUVXJFLR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053253
CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(CC2)SC(=N3)C	PC-id_154685682	322.081	RVWHKSSWLIQEJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053254
CC1=NC2=C(S1)N(CCCC2)C(=O)C3=CC(=CS3)COC	EMOLS-id_317722831,PC-id_154785204,MCULE-2303799409	322.081	CWGSGFWFOHXMDZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053255
CC1=NC2=C(S1)CCN(CC2)CC3=CN=C(S3)NC(=O)C	PC-id_154685616	322.092	ZDCAEXTUNULQDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053256
COC1=CC(=C(C=C1)CNCC2=NN=C3N2CCOCC3)Cl	MCULE-2368604995,EMOLS-id_320295373,ZINC22_1614994667,PC-id_164639807	322.12	AVDSRKAERTWBEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053257
Brc1c2-c(c(c1NC(=O)C)C(=O)OC)ccccc2	PC-id_85682853	322.154	BEVYESWWZZRKIR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053258
P(PP)(P)n1nnc2CCCN(CCC)C(=O)c12	PC-id_23398339	322.16	KELDUGOLUVFIEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053259
OC(=O)c1c(I)sc2CCCCCc12	EMOLS-id_259566439,MCULE-8644516932	322.163	QIILIFRIIPJDMQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053260
CN1c2nc(C)sc2CCC(I)C1=O	EMOLS-id_317496076,MCULE-9987383473,SCHEMBL19224530	322.166	AGBJSGVFRSIMCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053261
Brc1cccc(c1)OC1CCNCc2c1cc(o2)C	SCHEMBL10078673,PC-id_68028589	322.197	PODCBDRMSNPKBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053262
Brc1cccc(OCc2nnc3n2CCCCC3)c1	MCULE-3811211715,ZINC22_4933033,PC-id_4576941,EMOLS-id_31846225	322.2	UWXVJAMUBDCXQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053267
Brc1ccc(OCc2n3c(CCCCC3)nn2)cc1	CK1481544,CoCoCo_5791538,PC-id_706634,MCULE-1651980019,EMOLS-id_1086732,ZINC22_93109	322.2	XMIXCUZQEXANIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053268
Brc1ccc(OCc2nc3n(n2)CCCCC3)cc1	CoCoCo_6600592,ZINC22_28527112,PC-id_16458492,MCULE-3071191733	322.2	UDROQDXAFZXZIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053269
CC1=C2CN(CCCN2N=C1C(=O)N(C)C)C(=O)OC(C)(C)C	PC-id_164798966	322.2	IHJKVZKACVWEDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053270
Brc1ccccc1CNC1CCn2c(CC1)nnn2	EMOLS-id_318060096,MCULE-7056974413	322.204	FEEKUACKUFLURR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053271
Brc1ccc(cc1)CNC1CCn2c(CC1)nnn2	EMOLS-id_318228909,MCULE-6217455082	322.204	SRNDCFGTJMDLCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053272
Brc1cccc(c1)CNC1CCn2c(CC1)nnn2	EMOLS-id_318240383,MCULE-2957667839	322.204	UOJGPTUBUAZLIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053273
Brc1ccc(nc1)NCc1nnc2n1CCCCC2	EMOLS-id_318251154,MCULE-9652875736	322.204	UHAKVGWZLANYTI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053274
Brc1cccnc1NCc1nnc2n1CCCCC2	MCULE-6776997272,EMOLS-id_318435208	322.204	XLFBQIYOONOKDV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053275
Brc1ccnc(c1)NCc1nnc2n1CCCCC2	EMOLS-id_318086019,MCULE-5500058386	322.204	NNFMLASHOZGUOE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053276
Brc1cnccc1NCc1nnc2n1CCCCC2	MCULE-5102476877,EMOLS-id_318034225	322.204	XRZQEPGMKAYPIP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053277
Brc1cncc(NCc2nnc3n2CCCCC3)c1	ZINC22_96482666,EMOLS-id_49116970,MCULE-7107911501,PC-id_71968134	322.204	RBGNAZPJZYPRDS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053278
Brc1ncc(nc1)NCc1cnc2n1CCCCC2	EMOLS-id_318454596,MCULE-3155154326	322.204	QJXOEEFHEGWEMI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-053279
CNC1(C)CCc2c(CC1)nc(s2)I	PC-id_141779332	322.209	OBAILPQTKSSLGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053280
O=C(N1CC(C(C1)(F)F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102107045	322.262	BZNOTZYWMBYKRR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053281
[Na+].c12c(ncn1Cc1ccc(CC(=O)[O-])cc1)C(O)CN=CN2	CHEMBL39456	322.294	IUGZGWTUCGQLTE-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-053282
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(o1)[N+](=O)[O-]	PC-id_90625433	322.297	VQEULAACCNLBNA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-053283
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cn1)OC(F)F	EMOLS-id_318834259	322.31	SOIZREQCXZCSJT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053284
COc1c(F)cc(cc1F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319081873	322.31	ZGXSVAFKQFZFDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053285
Fc1c(C(=O)NCc2n3CCCCCc3nn2)c(O)cc(F)c1	PC-id_60599089	322.31	OTMCLEXEJDBONF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053286
FC(Oc1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_319374250	322.31	GLUTZEGOTZDJEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053287
O=C(C1CCCCc2n1c(=O)[nH]n2)NCc1ccc(cc1F)F	EMOLS-id_207869275,MCULE-2872073106	322.31	MDQZGARKOUGAHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053288
O=C(C1CCCCc2n1c(=O)n(n2)C)Nc1ccc(cc1F)F	MCULE-4212554447,EMOLS-id_207869430	322.31	NGJDOQASASHUTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053289
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cccc(c1F)F	PC-id_86852292	322.31	DHLJPLZJYMTQPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053290
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(F)c(F)c1	PC-id_17436935,EMOLS-id_12018023,ZINC22_8726460,CoCoCo_4406371,MCULE-7443082396	322.31	OIAINSCWWREOOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053291
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cc(F)cc(F)c1	PC-id_17524556,EMOLS-id_16747094,MCULE-9493248737,ZINC22_11050544,CoCoCo_4447344	322.31	KCEJTQWIAPTLJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053292
O=C(Nc1ncccc1OC(F)F)c1cnc2n1CCCCC2	MCULE-7076048021,EMOLS-id_320376166,ZINC22_621852821,PC-id_139020799	322.31	KVFNABWWXVDQEM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053293
CCOC(=O)c1cn(C)c2c1C(=O)[C@H](C(=O)OCC)CC(=O)N2	ZINC22_1585115,CoCoCo_5623356,PC-id_92147841	322.313	YQDRPRSGGABYTI-MRVPVSSYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053294
CCOC(=O)c1cn(C)c2c1C(=O)[C@@H](C(=O)OCC)CC(=O)N2	ZINC22_5521020,PC-id_92267435,CoCoCo_5623355,NSC362638	322.313	YQDRPRSGGABYTI-QMMMGPOBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053295
O=C1C(CC(=O)Nc2n(cc(c12)C(=O)OCC)C)C(=O)OCC	PC-id_338740	322.313	YQDRPRSGGABYTI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053296
OC1=C(CC(=O)Nc2n(cc(c12)C(=O)OCC)C)C(=O)OCC	PC-id_54689132	322.313	CAJCLGZOFQPGTF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-053297
O=C(N1CCCn2c(C1)cc(n2)N)Nc1cncc(c1)C(F)F	EMOLS-id_319657778	322.313	RXAAVINMWZSVEO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053298
O=C(Nc1ccc(c(c1C)F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102027908	322.313	WJJDIBIAMBXMCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053299
CCOC(=O)c1c2-c(c(c1C#N)C(=O)OCC)ccc(cc2)C#N	PC-id_102514432	322.315	DPTIKCOKUWGZNU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053300
CCOC(=O)c1c2-c(ccc(cc2)[N+]#[C-])c(c1[N+]#[C-])C(=O)OCC	PC-id_86230140	322.315	JNGCXBOSPMSWEP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053301
CCOC(=O)c1cc(c2-c1c(C#N)cc(cc2)C#N)C(=O)OCC	PC-id_101932168	322.315	HNHNHAUKGKVHTM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053302
O=C1c2ncn(c2NC=NC1)CC#Cc1cc(ccc1)C(=O)OC	PC-id_10853256	322.318	FKIFWZCQPKPMSH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-053303
O=C(C1CCCn2c(C1)ccc2)Nc1ccc(cc1)C(F)(F)F	PC-id_143775158	322.325	VAPOTRYEGVDLGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053304
COC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(F)(F)C	PC-id_140762646	322.328	WTAOFPRJIDSZTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053305
O=C(c1c(F)cccc1F)Nc1nc2c(s1)C(=O)CCCC2	PC-id_59737870,SCHEMBL14172816	322.33	MQBXQMIFHIWXGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053306
Cc1c2ccc(=O)ccc2c([nH]1)C=C1C2C=C(C=CC2NC1=O)F	PC-id_89275646	322.333	VZYWSJOOINPWFW-UHFFFAOYSA-N	00000010100011000110000000000110000000000000000000000000	31-01-053307
FC1=CC2C(C=C1)NC(=O)/C/2=Cc1[nH]c(c2c1ccc(=O)cc2)C	SCHEMBL14216350	322.333	VZYWSJOOINPWFW-SXGWCWSVSA-N	00000010100011000110000000000110000000000000000000000000	31-01-053308
O=c1oc2-c(c1Sc1c(=O)oc3-c1ccccc3)ccccc2	PC-id_102393738	322.335	FVTINXIMZUMJNM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053309
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CN1C(=O)CCC1=O	PC-id_90625447	322.34	WVEIOJZSULSEAP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053310
COc1cc(C(=O)N2CCc3nc(C(=O)N)sc3CC2)on1	ZINC22_1565553785,EMOLS-id_313794357	322.34	IZRQBJAYVVQOTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053311
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1nccnc1	EMOLS-id_112072708	322.34	CRZDYVZBTWCQLG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-053312
Clc1n(CC)c(Cl)c2SSSSSc12	PC-id_11681335	322.342	WTJGGDOWERQDGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053313
CN(CC(F)(F)F)C(=O)Cn1c2c(sc1=O)CCCCC2	PC-id_75424287,ZINC22_95963639,MCULE-8066165783,EMOLS-id_48790967	322.346	PWRAJVOORXTMNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053314
COC(C(F)(F)F)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319606679	322.346	CPSDUTHGAPVRRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053315
Fc1ccc(cc1F)C(NCc1nnc2n1CCOCC2)(C)C	MCULE-3096919600,EMOLS-id_320295119	322.353	IQDWBPBPRMECFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053316
FC(Oc1cccc(c1NCc1nnc2n1CCCCC2)C)F	EMOLS-id_318138510	322.353	AOFBINMOKHZBLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053317
COc1c(OC)cc(cc1OC)C(=O)c1ccc2-c1ccccc2	SCHEMBL13931944,PC-id_57574864	322.355	VUQCNURORPYJLD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-053318
COC1CC(C1)(C(=O)O)N(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_319804620	322.356	FNSNBMLCHITYSA-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053319
COC1CC(N(C1)C(=O)c1noc2c1CCCCC2)CC(=O)O	PC-id_121966094	322.356	NWFZCISULQNHFX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053320
COCC1(CCN(C1)C(=O)c1noc2c1CCCCC2)C(=O)O	PC-id_121949078,MCULE-4055466802,EMOLS-id_72607107	322.356	UWPGJSMONZSDAU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053321
COC(=O)C1C(O)CCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_111938128	322.356	SDJCGWBGDOHCMS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053322
COC(=O)CC1(CCOC1)NC(=O)c1noc2c1CCCCC2	MCULE-2091105968,EMOLS-id_316331939	322.356	ZGUCBBCWIVMKPV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053323
COC(=O)C[C@@]1(NC(=O)c2noc3c2CCCCC3)CCOC1	ZINC22_547720593	322.356	ZGUCBBCWIVMKPV-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053324
COC(=O)C[C@]1(NC(=O)c2noc3c2CCCCC3)CCOC1	ZINC22_547720600	322.356	ZGUCBBCWIVMKPV-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053325
O=C(c1noc2c1CCCCC2)NCC1(CCOCC1)C(=O)O	EMOLS-id_57666773,PC-id_120542687,MCULE-7179016666	322.356	JMZXBHOPLQEOTQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053326
OC(=O)C(C1CCCOC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_72357600,MCULE-4432735277,PC-id_120548445	322.356	HVCXOXXHARFNGW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053327
OC(=O)CC1(CCOCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_72331852,PC-id_120521517,MCULE-7434530396	322.356	HALQVNRYMPOYOV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053328
s1c2c(CCCCC2)c(c1NC(=O)/C=C/C(=O)[O-])C(=O)OC	PC-id_7302864	322.356	DPFGBWHNUMMBNF-BQYQJAHWSA-M	00000000100000000100000000000010000000000000000000000000	31-01-053329
s1c2c(CCCCC2)c(c1NC(=O)C=CC(=O)[O-])C(=O)OC	PC-id_78470209	322.356	DPFGBWHNUMMBNF-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-053330
CCc1cnc2c(c(=O)c1)c(c(o2)C)C(=O)N(c1ccccc1)C	SCHEMBL13962423,PC-id_71035967	322.358	ONXBKCKAHODHNQ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-053331
[N-]=[N+]=C(C(=O)c1cc2-c(c1)ccccc2)c1cc2-c(c1)ccccc2	PC-id_101274556	322.359	JHRLBJFYBAFOHV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053332
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)C1CNCCO1	PC-id_56916807,EMOLS-id_43179471,MCULE-5966029681	322.36	XUCCKAJIVORWPP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053333
CCOC(=O)N1CCCn2c(C1)cc(n2)C(=O)N1CCOCC1	EMOLS-id_32386616,MCULE-5103810433,PC-id_50957871	322.36	MJHFAJHAQVQDFF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053334
O=C([C@@H]1CC[C@@H](O1)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_121775758	322.36	OMLITNSZSHCSQI-WDEREUQCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053335
O=C(O)CCc1cc2n(n1)CCCN(C(=O)[C@@H]1CNCCO1)C2	PC-id_95897501,ZINC22_72480819	322.36	XUCCKAJIVORWPP-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053336
O=C(O)CCc1cc2n(n1)CCCN(C(=O)[C@H]1CNCCO1)C2	ZINC22_72480820,PC-id_95897502	322.36	XUCCKAJIVORWPP-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053337
O=C(OC(C)(C)C)NC1CCn2c(N(C1=O)C)cc(n2)C(=O)C	SCHEMBL18366657	322.36	WZLCFLUAOSQXGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053338
c1(C(=Cc2ccc(cc2)OC(=O)C)C#N)nnc2CCCCCn12	MCULE-7668216028,PC-id_3456687	322.361	VZEYQZBYDOKOHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053339
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)c1ocnc1	EMOLS-id_319349242	322.361	PMRHZIJJDZGUGY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053340
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)c1ocnc1	EMOLS-id_319382492	322.361	PXWYYPKMXDAMHW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053341
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc(n1)c1ccccc1	EMOLS-id_320332610,MCULE-9787481924	322.361	QVBCTSUJSFFKFA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053342
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncoc1c1ccccc1	MCULE-9066344367,EMOLS-id_319926181	322.361	VGALEFOQOAYKTI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053343
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1noc(c1)c1ccccc1	EMOLS-id_318852364	322.361	LNJVPYUWSQGARK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053344
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ocnc1c1ccccc1	EMOLS-id_319814173	322.361	VQQURPIASWHFOJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053345
CC(=O)Oc1ccc(/C=C(C#N)/c2nnc3CCCCCn23)cc1	EMOLS-id_207240201,CoCoCo_5013974,PC-id_5831816,SPECS-id_AT-225/NB58527,CoCoCo_5013975	322.361	VZEYQZBYDOKOHE-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053346
N#CC1C=CCC=c2c(=C1)cc([nH]2)C(=O)NC(c1cnc(o1)C)C	PC-id_144935678	322.361	QXRARLXTNNLBKK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-053347
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc2c(c1)COC2	EMOLS-id_99028674	322.361	MZTRKWPPOJCYEJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-053348
N#C/C(=C/c1ccc(cc1)C(=O)OC)/c1nnc2n1CCCCC2	CoCoCo_3456405	322.361	FLFXFWJTSXZXGV-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053349
N#CC(=Cc1ccc(cc1)C(=O)OC)c1nnc2n1CCCCC2	MCULE-5042354651,PC-id_72084733,EMOLS-id_26092921	322.361	FLFXFWJTSXZXGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053350
N#C/C(=Cc1ccc(cc1)C(=O)OC)/c1nnc2n1CCCCC2	PC-id_25574626,CoCoCo_3456404	322.361	FLFXFWJTSXZXGV-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053351
O=C(c1cnc2n1CCCCC2)Nc1ccccc1c1ncco1	EMOLS-id_316674367	322.361	CUQWIJDSQXQGOZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053352
O=C(c1[nH]c(nc1C)c1cccnc1)N1CCCc2c(C1)cco2	EMOLS-id_318786951	322.361	PGRYRQFNNZCYMP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-053353
O=C(c1n[nH]c2c1CCCCC2)Nc1ccccc1c1ncco1	EMOLS-id_319504360	322.361	QBOYVUGJEQVWJU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053354
O=C(c1noc2c1CCCCC2)Nc1ccccc1c1cc[nH]n1	EMOLS-id_316701643	322.361	DMAJPZFAYSKIJE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053355
O=C/C(=C/Nc1cccn(c1=O)Cc1nn2c(c1)C=CC=CC2)/C	PC-id_143911492	322.361	UVHWRVFTCKZUFF-SDNWHVSQSA-N	00000000100000101111000000000010000000000000000000000000	31-01-053356
O=C(Nc1ccc(c2ccon2)cc1)c1cnc2n1CCCCC2	ZINC22_886953992,PC-id_136566754,MCULE-4003745015,EMOLS-id_316943552	322.361	UUASNRJMJXMITP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053357
O(C(=O)c1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1)C	PC-id_84988757	322.361	UGPWNFAOSPKWBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053358
O(C(=O)c1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1)C	PC-id_9353361	322.361	UGPWNFAOSPKWBB-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053359
c12nnnn1CCCCC2C(=O)N1CCN(CC1)C(=O)OCC	PC-id_74248888,MCULE-8207045669,EMOLS-id_49677222	322.363	SWRAUTZSZITISK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053360
CCOC(=O)N1CCN(C(=O)[C@@H]2CCCCn3nnnc23)CC1	PC-id_97939724,ZINC22_97773244	322.363	SWRAUTZSZITISK-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053361
CCOC(=O)N1CCN(C(=O)[C@H]2CCCCn3nnnc23)CC1	ZINC22_97773245,PC-id_97939725	322.363	SWRAUTZSZITISK-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-053362
c1(cnnn1c1ccccc1)C(=O)N1CCCn2nc(C)cc2C1	EMOLS-id_32398972,PC-id_50964408,MCULE-1116807273,ZINC22_65405693	322.364	GSBZCTUEPCFYSU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053363
c1(C(=O)Nc2cccc(c2)c2n[nH]cn2)c2CCCCCc2n[nH]1	EMOLS-id_50403220,PC-id_75489248,EMOLS-id_49246557,ZINC22_96224272,STOCK7S-46026,MCULE-7063029119,EMOLS-id_53795075	322.364	MXYDAOULCNBWHZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053364
c1(C(=O)Nc2cn[nH]c2c2ccccc2)cn2c(CCNCC2)n1	MCULE-3256667178,EMOLS-id_330448691,ZINC22_1857727663	322.364	WUWFMMLQVSQXNE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053365
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)c1ncn[nH]1	EMOLS-id_318854443	322.364	OZPLARORBHOUMP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053366
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)c1ncn[nH]1	EMOLS-id_319208249	322.364	LRTJWAVCSYADFF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053367
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)n1cnnc1	MCULE-3703968107,EMOLS-id_320154009	322.364	DJGYHSDDSBRHKS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053368
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1n1nncc1	EMOLS-id_319060242	322.364	UHTMZXCYKWRYEH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053369
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)n1nncc1	EMOLS-id_319502565	322.364	VZZUIGJGDQXYBH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053370
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)n1nncc1	EMOLS-id_320029556,MCULE-2262225282	322.364	UYDQMWDFXGYXGF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053371
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cn1)n1cncc1	MCULE-6116458238,EMOLS-id_320258771	322.364	XDNGZFHATMWJFI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-053372
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc(c1)c1ncc[nH]1	MCULE-9374027858,EMOLS-id_320158165	322.364	ZJHSPJDQMRGKRE-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-053373
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc(c1)n1cncc1	EMOLS-id_319622849	322.364	FMOWLPHHMVIHJD-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-053374
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1)c1ccccn1	MCULE-2579372004,EMOLS-id_319974325	322.364	XMWZPQCLNHYUTF-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-053375
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nccc(c1)n1cccn1	EMOLS-id_320195561,MCULE-8327762532	322.364	YIHOAHCJOSNMQB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-053376
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nnn(c1)c1ccccc1	EMOLS-id_319775659	322.364	NGEFTFVJBSCKKK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053377
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nn[nH]c1c1ccccc1	EMOLS-id_319061963	322.364	ZUVHVGCWNORDCB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053378
CN1CCc2ccc(C(=O)N3CCCn4nc(C#N)cc4C3)nc12	ZINC22_2100557675,EMOLS-id_337677031	322.364	YTEFNBVUDRQAJS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-053379
O=C(c1ccccn1)N1CCc2ncc(Cn3cccn3)n2CC1	EMOLS-id_44328849,CHEMBL3553269,PC-id_97467103,ZINC22_96196959	322.364	FOUSDXLDVSCETC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053380
O=C(c1cccnc1)N1CCCn2c(C1)nnc2Cn1cccc1	PC-id_97519729	322.364	AYAHCYHJLDGJBD-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-053381
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1c1cc[nH]n1	EMOLS-id_319552817	322.364	GCWBHYBCTHXECS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053382
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)c1[nH]ncc1	EMOLS-id_320197440,MCULE-1654297500	322.364	YKFPJAOHRJBJKZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053383
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)n1cccn1	EMOLS-id_319504389	322.364	XZNVKRYTIYAGNW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053384
O=C(c1ccncc1)N1CCc2nnc(Cn3cccc3)n2CC1	EMOLS-id_44371292,PC-id_97519957,ZINC22_96259876	322.364	OXRWUYBRGOFVEO-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-053385
O=C(c1ccncc1)N1CCCn2c(nnc2Cn2cccc2)C1	PC-id_97405598,ZINC22_96084775,EMOLS-id_46182579	322.364	XHGOSGZMQSMMGH-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-053386
O=C(c1cnn(c1)c1ccccc1)N1CCn2c(CC1)nnc2C	CoCoCo_1147816,PC-id_42406650	322.364	NZMJVRNOSYDKPO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053387
O=C(c1[nH]c(nc1C)c1cccnc1)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319155720	322.364	ZEZFDVAGAVKWFU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-053388
O=C(c1n[nH]c2c1CCCCC2)Nc1[nH]nc(c1)c1ccncc1	PC-id_121548865,EMOLS-id_75980277	322.364	BGLSBYYTGBDMKW-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-053389
O=C(c1n[nH]c2c1CCCCC2)Nc1nnn(c1)c1ccccc1	EMOLS-id_319233593	322.364	MYCBCOUZNOSEDF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053390
O=C(c1n[nH]c(c1)c1ccncc1)N1CCCc2c(C1)cnn2C	EMOLS-id_319684614	322.364	JDTDVOAZCWBBQG-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-053391
O=C(Cn1cc(c2ccccc2)nn1)N1CCCc2n[nH]cc2C1	ZINC22_663191692,MCULE-1408532474,PC-id_139020530,EMOLS-id_320363623	322.364	DKDOIDGTCCRYHM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053392
c1(NC(=O)Cc2ccc(cc2F)F)sc2c(CCCCC2)n1	EMOLS-id_334604144,MCULE-9500833008	322.373	PYIADORUCFMTSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053393
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc(C)c(cc1F)F	EMOLS-id_319540030	322.373	KLDXGFFNUAWDJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053394
Cc1sc2c(n1)CCCCN2C(=O)c1ccc(c(c1F)F)C	EMOLS-id_319731971	322.373	BNBSPIHYQXYRMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053395
Cc1sc2c(n1)CCCCN2C(=O)c1cc(F)c(cc1F)C	MCULE-5343464276,EMOLS-id_320095230	322.373	QXZDGBPJRJENBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053396
Fc1ccc(c(c1)F)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320307353,MCULE-3260947928	322.373	UVKVORUZVLAPKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053397
O=C(N1CCCCc2c1sc(n2)C)Cc1ccc(c(c1)F)F	EMOLS-id_319057148	322.373	ZWKUFERULPLPBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053398
O=C(N1CCCCc2c1sc(n2)C)Cc1c(F)cccc1F	EMOLS-id_318926748	322.373	CMNMIMGNWDILQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053399
s1c2CCCCCCc2nc1NC(=O)c1cc(F)cc(F)c1	PC-id_56021845	322.373	YPYHLFQPZQNHKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053400
s1c2CCCCCCc2nc1NC(=O)c1cc(F)c(F)cc1	PC-id_56035731	322.373	SATOHQRGOQPQMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053401
s1c2CCCCCCc2nc1NC(=O)c1c(F)cc(F)cc1	PC-id_56022101	322.373	JWBJZHDITZDNHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053402
s1c2CCCCCCc2nc1NC(=O)c1c(F)c(F)ccc1	PC-id_56387755	322.373	HHNKAIQHZJCHOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053403
CC1=CC(F)C=c2c(=C1)cc([nH]2)C(=O)NC1(CC1)c1ccccc1	PC-id_144935569	322.376	BBJZKXFQMZCEQN-UHFFFAOYSA-N	00100000100000110110100000000010000000000000000000000000	31-01-053404
CCN(C)C(=O)c1cnn2c1CN(C(=O)C1(F)CCC1)CCC2	EMOLS-id_313766082,ZINC22_1565547714	322.378	WKVUERIMOHBBOZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053405
FC1(CC1)C(=O)N1CCc2ncc(CN3CCOCC3)n2CC1	EMOLS-id_313779659,ZINC22_585110622	322.378	MJFNBOXUUJGDJX-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-053406
FC1(CCC1)C(=O)N1CCc2nnc(COCC3CC3)n2CC1	ZINC22_1565544494,EMOLS-id_313786010	322.378	MBQYBHPKEUYUMJ-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-053407
FC(C1CCN(CC1)C(=O)c1cnc2n1CCCCC2)C(=O)N	EMOLS-id_279008389	322.378	KMUZCHHRXFBDSV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053408
FCCC(=O)N1CCCn2cnc(C(=O)NC3CCCC3)c2C1	EMOLS-id_313787709,ZINC22_1565553882	322.378	FZTXJHIHUYIISB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053409
NC(=O)[C@@H](F)C1CCN(C(=O)c2cnc3n2CCCCC3)CC1	ZINC22_913102076	322.378	KMUZCHHRXFBDSV-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053410
NC(=O)[C@H](F)C1CCN(C(=O)c2cnc3n2CCCCC3)CC1	ZINC22_913102077	322.378	KMUZCHHRXFBDSV-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053411
s1c(/C=C/C(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)ccc1	PC-id_10567845	322.378	NYIXEQOWVVUZEU-MDZDMXLPSA-N	00000010100100000110000000000010000000000000000000000000	31-01-053412
s1c(C=CC(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)ccc1	PC-id_85188372	322.378	NYIXEQOWVVUZEU-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-053413
c1(NC(=O)C2=COCCO2)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_4952065,PC-id_4444166,ZINC22_4275443,CoCoCo_5031772,MCULE-5541021168	322.379	AAIGPJIMQHABDS-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-053414
c1(NC(=O)C=CC(=O)O)sc2c(CCCCCC2)c1C(=O)N	PC-id_5158236,MCULE-3354901343	322.379	QYZLKQWVLBQWHR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053415
COc1ncc(cc1C)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_319740408	322.379	GURIXBHWVGRWLA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-053416
NC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCCC2	PC-id_5336377,ZINC22_5382529,TIMTEC417170,CoCoCo_683695,EMOLS-id_46450777	322.379	QYZLKQWVLBQWHR-BQYQJAHWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053417
O=C(C1=COCCO1)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3430043,PC-id_16349872,MCULE-3894085968,EMOLS-id_43872955	322.379	IVFOHEZLWMAWET-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-053418
OC(=O)/C=CC(=O)Nc1sc2c(c1C(=O)N)CCCCCC2	CoCoCo_683696	322.379	QYZLKQWVLBQWHR-FPLPWBNLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053419
O=C(OCC(=O)N1CCNC1=O)c1cc2c(s1)CCCCC2	ZINC22_5361853,MCULE-3937629356,CoCoCo_2861330,EMOLS-id_11799465,PC-id_7649870	322.379	HWVDSNFCLQPONL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053420
S(=O)(=O)(Nc1nc2-c(c1C#Cc1ccccc1)ccccc2)C	PC-id_12013290	322.381	FBFIUUDNBQTAQO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-053421
c1(sc(nc1C)OC)C(=O)N1CCCn2nc(CO)cc2C1	PC-id_91788959,EMOLS-id_55685717,MCULE-9442283730	322.383	JTTZERDBPIANLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053422
Cc1noc(n1)COCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319028566	322.383	YCAULBCZRZRDTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053423
CCc1cccc(n1)NS(=O)(=O)N1CCc2c(CC1)con2	SCHEMBL14581955,PC-id_71210136	322.383	NSBULSRXANGKAU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053424
CCOC1CN(Cc2ccnn2C1)S(=O)(=O)c1cccnc1	EMOLS-id_50011216	322.383	LXOZBTXKERIXIP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053425
CCO[C@@H]1CN(S(=O)(=O)c2cccnc2)Cc2ccnn2C1	ZINC22_253383550	322.383	LXOZBTXKERIXIP-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053426
CCO[C@H]1CN(S(=O)(=O)c2cccnc2)Cc2ccnn2C1	ZINC22_253383551	322.383	LXOZBTXKERIXIP-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053427
Cn1nc2CCN(CCn2c1=O)S(=O)(=O)Cc1ccccc1	EMOLS-id_168607817,MCULE-5326810026	322.383	JXZMSJMTZMOMQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053428
COc1cccc(n1)CS(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_316858111,PC-id_136531973	322.383	PKLMRNWBOPFJQU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053429
COc1ccc(cn1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950851	322.383	OEHWGYLROBDCSH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053430
COc1ccc(CS(=O)(=O)c2nnc3n2CCCCC3)cn1	EMOLS-id_172332115,PC-id_122149721,MCULE-8204770459,ZINC22_408518836	322.383	DPRRIAAPVQVVQU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053431
COc1cncc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950929	322.383	NXFBPQLVYUMPNC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053432
COc1snc(c1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)OC	EMOLS-id_318901079	322.383	YIITZLMIDHWVQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053433
COCc1ccccc1S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319642841	322.383	CHRZWMFAFKIIST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053434
COCc1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320213888,MCULE-9817530023	322.383	UMQOMLXORQCWAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053435
COCC1CN(Cc2ncnn2C1)S(=O)(=O)c1ccccc1	EMOLS-id_44327151,PC-id_118740824	322.383	DEEOQPNZAXUSMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053436
COC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2ncnn2C1	PC-id_97463603,ZINC22_96189196	322.383	DEEOQPNZAXUSMQ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053437
COC[C@@H]1CN(S(=O)(=O)c2ccccc2)Cc2ncnn2C1	ZINC22_96189197,PC-id_97463604	322.383	DEEOQPNZAXUSMQ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053438
CS(=O)(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	MCULE-1208610055,EMOLS-id_49731363,PC-id_91910709	322.383	JLLNILRJQOCWNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053439
O=C1CCC(C(=O)N1)NC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110642314	322.383	RCGMVHJKBXHBFE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053440
O=C1CCN(C(=O)N1)CC(=O)N1CCCCc2c1sc(n2)C	MCULE-8871080067,EMOLS-id_320118120	322.383	HJELHNCYIKHREY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053441
O=C1NCCN(C1)C(=O)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111809755	322.383	LDXGQXWELLOIMI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053442
O=C1NC(=O)C(N1)CCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319059164	322.383	AICWRDMPCDDNTC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053443
O=C(CN1C(=O)CNC1=O)Nc1sc2c(n1)CCCCCC2	PC-id_86834868	322.383	KVCYHSIUVKUYAB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053444
OCCOCc1nnn2c1CN(CCC2)C(=O)c1cscc1	PC-id_97405183	322.383	YACOCOHKQMGRLE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053445
C1=CC=c2c(=CC1)nc([nH]2)SCc1onc(n1)c1ccccc1	PC-id_144019435	322.384	KQXHOJDDLWMLJG-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-053446
S(Cc1nn(c2c1ccccc2=O)C)c1[nH]c2c(n1)cccc2	PC-id_21782759	322.384	WTVYXNQWUHLEDC-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-053447
C1COC(O1)c1csc(n1)CNC1CCn2c(CC1)nnn2	EMOLS-id_318955791	322.386	KDKDBOFHVQQZHN-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-053448
COCc1nc(CNC(=O)[C@H]2CCc3nnnn3CC2)cs1	PC-id_164634278,ZINC22_565088727	322.386	JXJXDWFRXRFEHI-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-053449
COCc1nc(CNC(=O)[C@@H]2CCc3nnnn3CC2)cs1	ZINC22_565088726	322.386	JXJXDWFRXRFEHI-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053450
COCc1scc(n1)CNC(=O)C1CCn2c(CC1)nnn2	EMOLS-id_316890039,MCULE-2706472431	322.386	JXJXDWFRXRFEHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053451
CS(=O)(=O)N1CCCn2nc(CNc3ncccn3)cc2C1	EMOLS-id_44429191,ZINC22_82097774,MCULE-8237170633,PC-id_70721038	322.386	VHCMWLJTRZOLHC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-053452
O=S(=O)(C1CC1)N1Cc2nccn2C[C@H](Cn2cncn2)C1	PC-id_97463098,ZINC22_96188665	322.386	XCRVJSIQGLXPSY-LLVKDONJSA-N	00100000100000000101000000000010000000000000000000000000	31-01-053453
O=S(=O)(C1CC1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_96188664,PC-id_97463097	322.386	XCRVJSIQGLXPSY-NSHDSACASA-N	00100000100000000101000000000010000000000000000000000000	31-01-053454
O=S(=O)(C1CC1)N1CCc2ncc(Cn3cncn3)n2CC1	EMOLS-id_44328957,PC-id_97467156,ZINC22_96197012	322.386	HIHKSDNZLVUNCH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-053455
O=S(=O)(C1CC1)N1CCCn2c(Cn3cccn3)nnc2C1	ZINC22_96259664,PC-id_97519746,EMOLS-id_44370874	322.386	NXMQHBXWRZRQDW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-053456
O=S(=O)(C1CC1)N1CC(Cn2cncn2)Cn2ccnc2C1	PC-id_118740750,EMOLS-id_44326505	322.386	XCRVJSIQGLXPSY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-053457
O=S(=O)(C1CC1)N1CCCn2nnc(Cn3ccnc3)c2C1	ZINC22_96259531,EMOLS-id_44370610,PC-id_97519613	322.386	SFKZVBVTAFMDLB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-053458
O=S(=O)(c1nc2n(c1)CCCC2)N1CCCn2c(C1)cnn2	EMOLS-id_319104499	322.386	BUUFWWPZCKGAQH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-053459
O=C1OCCOC(C)(C)CCCCC(C(=O)c2oc1cc2)(C)C	SCHEMBL21214910,PC-id_139363201	322.396	RJFFGZBXDQHDKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053460
CC1(COc2cscc2OC1)COCCCS(=O)(=O)O	PC-id_87813037,SCHEMBL14494063	322.398	HQFMDLMNKLZLSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053461
Cc1sc(c2c1OCC(CO2)OCCCS(=O)(=O)O)C	SCHEMBL12216826,PC-id_58479007	322.398	POIALOIDEYIPDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053462
CCC(S(=O)(=O)O)CCOC1COc2c(OC1)csc2	PC-id_140307227	322.398	SNCFOMFUOGXXBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053463
COC1(CCOCC1)C(NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_102169210	322.399	MBFQWKFFQDPCJF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053464
COC1(CCOCC1)C(NC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_102109544	322.399	YMYVLMRQUMAMFV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-053465
COCC1(O)CCCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_319984693,MCULE-3799081472	322.399	MSUXZOWXMHPRAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053466
OC(=O)CCCCCCCNC(=O)c1noc2c1CCCCC2	PC-id_120535638	322.399	LSVIEHIQSXUPKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053467
OC(=O)C(NC(=O)c1noc2c1CCCCC2)CCC(C)(C)C	PC-id_121901499,EMOLS-id_72511816,MCULE-9368295553	322.399	YWFDLZIJDQSMJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053468
CCNC1CC(C)CS(=O)(=O)c2c1cc(o2)S(=O)(=O)N	PC-id_15165696,SCHEMBL9876706	322.401	NDGSAYGIWLOJTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053469
N(N=Cc1c2-c(cc1)ccccc2)(c1ccccc1)c1ccccc1	PC-id_86110574	322.402	UFSTZOAZZYDKOH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-053470
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(CO)CO	ZINC22_91974364,PC-id_72844248,MCULE-2493723951,EMOLS-id_46029885	322.403	ADYRNXQIKVAHCU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-053471
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CC(CO)O	MCULE-6092016491,PC-id_70752065,EMOLS-id_44440119	322.403	ZUVNEAYZXYOGBB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053472
c12CN(CCO)CCCn1nc(CCC(=O)N1CCOCC1)c2	ZINC22_82145578,MCULE-7336595271,EMOLS-id_44447157,PC-id_70772539	322.403	IRKPBTGJKYMQHT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053473
c12C(=O)NCC(O)Cn1nc(C(=O)N(CCCC)CCCC)c2	PC-id_119071817,EMOLS-id_82735389,MCULE-4141723020	322.403	VFLZBDHXPKEGNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053474
CCCCN(CCCC)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426640561	322.403	VFLZBDHXPKEGNZ-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053475
CCCCN(CCCC)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426640562	322.403	VFLZBDHXPKEGNZ-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053476
CC(C)(C)OC(=O)N1CCCc2nn(c(c2C1)OC1CNC1)C	PC-id_136590238	322.403	BNLQNHVGKITAJD-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053477
CC(C)(C)OC(=O)NCCNC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_335062560,MCULE-7907520398	322.403	YOPDJCRDXOYZRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053478
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)CN1CCOCC1)C2	ZINC22_222474241,PC-id_100099116	322.403	XIPKBRVBIWEAFV-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053479
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)CN1CCOCC1)C2	ZINC22_222474304,PC-id_100099122	322.403	XIPKBRVBIWEAFV-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053480
CCC(O)c1cc2CN(CCCn2n1)C(=O)CN1CCOCC1	EMOLS-id_55670877,PC-id_91783833,MCULE-7146495434	322.403	XIPKBRVBIWEAFV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053481
C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCN1CCOCC1)C2	PC-id_100055135,ZINC22_220244845	322.403	GDSLNBIQCBCZSO-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053482
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCN1CCOCC1)C2	ZINC22_220244780,PC-id_100055134	322.403	GDSLNBIQCBCZSO-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053483
CC(O)c1cc2CN(CCCn2n1)C(=O)CCN1CCOCC1	EMOLS-id_55651892,PC-id_91777270,MCULE-1305259711	322.403	GDSLNBIQCBCZSO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053484
CCOC1CC(C1OC)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101709938	322.403	TXKCJXUCMRQLKK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053485
CCOCc1nnc2CC(C)N(CCn12)C(=O)CC1(O)CCC1	EMOLS-id_313824806	322.403	WXWVZMLCFOYEKW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053486
CCOCc1nnc2n1CCN(C(=O)CC1(O)CCC1)[C@H](C)C2	ZINC22_585098683	322.403	WXWVZMLCFOYEKW-GFCCVEGCSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053487
CCOCc1nnc2n1CCN(C(=O)CC1(O)CCC1)[C@@H](C)C2	ZINC22_585098684	322.403	WXWVZMLCFOYEKW-LBPRGKRZSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053488
COCC(C1CCCO1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101697977	322.403	ZELCVLXRJBETPN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053489
OC1CCCC1CN(C(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_109400072	322.403	LJEMPXQXCHASAK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053490
OCC1CCCCC1NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_109870183	322.403	ZSEHYZSLNHWKJZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053491
OCC1(C)CCCC1NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_112286393	322.403	LPNLXHVRQKPJRI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053492
OCC1CCC(CC1)NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_112379326	322.403	IEINGOVMSFLNOV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053493
OCC1CCC(N(C1)C(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_109989181	322.403	BUOMWIFOLQIHNK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053494
OCC1(COCCN1C)CNC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319676019	322.403	XJJDMLXKGJFQNF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053495
OCCC1CCCCN1C(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_110886977	322.403	FEPCGKUDAAKSAK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053496
O=C(CCCCC(=O)O)NCCCc1nnc2n1CCCCC2	PC-id_121769961,MCULE-9913920051,EMOLS-id_72135206	322.403	LDPKQJTYOJYCSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053497
O=C([C@@H]1COC(O1)(C)C)NCCCc1nnc2n1CCCCC2	EMOLS-id_318773983	322.403	PETDZJPFBKPHEM-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053498
O=C(Cn1nc2n(c1=O)CCCCC2)NCC1(O)CCCCC1	PC-id_111446047	322.403	CBTNXGCEQVLJHI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053499
O=C(Cn1nc2n(c1=O)CCCCC2)NCC(C1CCCC1)O	PC-id_111425718	322.403	PKHBADWQTWGPCU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053500
O=C(N1CCCC1C(O)(C)C)Cn1nc2n(c1=O)CCCCC2	PC-id_109906103	322.403	YAWNAYYXLISDCC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053501
O=C(NCc1cc2n(n1)CCCN(C[C@H](O)CO)C2)C1CCC1	PC-id_96577630,ZINC22_82121988	322.403	ZUVNEAYZXYOGBB-HNNXBMFYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053502
O=C(NCc1cc2n(n1)CCCN(C[C@@H](O)CO)C2)C1CCC1	ZINC22_82121989,PC-id_96577631	322.403	ZUVNEAYZXYOGBB-OAHLLOKOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053503
c1(ccc2ccccn12)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_2356169366,MCULE-6152569327,EMOLS-id_337814660	322.404	ZJZPSYGKBZJWJG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-053504
c1ccc(c2coc(CNCc3nnc4n3CCCCC4)c2)cc1	PC-id_53500570,MCULE-3086231073,EMOLS-id_36642206,ZINC22_69161052	322.404	FLXFKTIYGZPEQN-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-053505
c1ccc(cc1)c1ccc(o1)CNCc1nnc2n1CCCCC2	MCULE-5911900521,EMOLS-id_50952540,PC-id_121846680	322.404	ZCNAIUJWCBDFMI-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-053506
c1(cn2c(CCNCC2)n1)C(=O)N1CCC(=CC1)c1ccccc1	ZINC22_1857718490,EMOLS-id_330442763,MCULE-1782032519	322.404	WPKWOKIVSIOEQE-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-053507
c1coc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c1	EMOLS-id_75977173,PC-id_121547553,MCULE-2167496644,ZINC22_185379018	322.404	XCBNOZGLTPGDKO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-053508
c1(C(=O)N2CC=CC2)cc2n(CCCN(Cc3ccccc3)C2)n1	MCULE-7538380315,EMOLS-id_32396244,PC-id_50962949,ZINC22_65403596	322.404	WWERIGVEQXQQMR-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-053509
c1(C(=O)N2CCCn3cncc3C2)c(C)c2c(c(C)cc(C)c2)[nH]1	EMOLS-id_44707317,PC-id_70720855,ZINC22_91439807,MCULE-1926052265	322.404	SJKVULFYMMDSIO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053510
c1(C(=O)NCc2c3CCCCCc3[nH]n2)c2ccccc2n(C)c1	ZINC22_670460681,MCULE-1231131370	322.404	YXCJDJOXUWGWSM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053511
c1(C(=O)NCCc2c3ccccc3[nH]c2)c2CCCCCc2n[nH]1	PC-id_75490659,EMOLS-id_50400658,ZINC22_96232486,EMOLS-id_49249742,STOCK7S-47674,MCULE-5707258021	322.404	DHWJJMNKOHYTTA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053512
c1(C(=O)NCCn2c3ccccc3cc2)c2CCCCCc2[nH]n1	MCULE-2081478278,EMOLS-id_323251900	322.404	ZHIRZSRCLYLUFE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053513
CC1CN(Cc2c(C1)[nH]nc2)C(c1ncc(o1)c1ccccc1)C	EMOLS-id_319160452	322.404	IPWHJLZGMWZCJN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053514
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c([nH]1)ccc(c2C)C	EMOLS-id_319831659	322.404	CEPWILJHQTZAQP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053515
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c([nH]1)cc(cc2C)C	MCULE-1516255357,EMOLS-id_319948962	322.404	ZHRHPTCQXXEXIM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053516
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c(C)[nH]c2c1cccc2	EMOLS-id_319422289	322.404	ZIOBKUMGIDLEGC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053517
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cn(c2c1cccc2)C	EMOLS-id_319256808	322.404	CVDYHRMPMUZUGA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053518
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c[nH]c2c1cccc2C	MCULE-3697731363,EMOLS-id_319854010	322.404	LENQSWVIRORUFD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053519
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c[nH]c2c1c(C)ccc2	EMOLS-id_319092105	322.404	FEOPAMGJUGYPNU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053520
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1c[nH]c2c1cccc2	EMOLS-id_320061736,MCULE-5696894068	322.404	WVKZGOBTSCPXOL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053521
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1c(C)cc2c1cccc2	MCULE-9295563777,EMOLS-id_319962298	322.404	CHMQPKPEJSGTIK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053522
CC1CN(Cc2coc(n2)c2ccc(cc2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319440520	322.404	MPPAHFNVLATBMD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053523
CC1CN(Cc2ncc(o2)c2ccc(cc2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319626871	322.404	IRZRCYUXQNMPQK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053524
CC1CN(Cc2nc(oc2C)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_319373469	322.404	OKAUEPIMYMCXDD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053525
Cc1oc(c2ccccc2)nc1CN1CCCc2c(cnn2C)C1	ZINC22_411857035,PC-id_146130779	322.404	WJMMFXWHVNMKHT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053526
CCc1cccc2c1cc([nH]2)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319430875	322.404	YDMOVFXCGHUXMY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053527
CCCc1ccc(cc1)C(=O)C(c1nnc2n1CCCCC2)C#N	EMOLS-id_36286302,MCULE-2024975294,PC-id_53587262	322.404	ZOTQWXABNXFVPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053528
CCCc1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1	PC-id_95273016,ZINC22_69346198	322.404	ZOTQWXABNXFVPL-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053529
CCCc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1	ZINC22_64102240,PC-id_95048443	322.404	ZOTQWXABNXFVPL-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053530
CC[C@H]1Cc2[nH]c(nc2CCN1C(=O)c1c[nH]c2c1cccc2)C	SCHEMBL18408384	322.404	NMANBAHRGOVLFF-ZDUSSCGKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053531
CCCOc1ccc(cc1)C=C(c1nnc2n1CCCCC2)C#N	PC-id_72084722,EMOLS-id_30722743,MCULE-8683152078	322.404	MAAPYJKRRPPZJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053532
C=CCOCC1CN(Cc2cccc(c2)C#N)Cc2ccnn2C1	EMOLS-id_44326945	322.404	VFKDVHSTEKOSNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053533
C=CCOC[C@H]1CN(Cc2cccc(C#N)c2)Cc2ccnn2C1	ZINC22_96189018,PC-id_97463437	322.404	VFKDVHSTEKOSNE-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053534
C=CCOC[C@@H]1CN(Cc2cccc(C#N)c2)Cc2ccnn2C1	ZINC22_96189019,PC-id_97463438	322.404	VFKDVHSTEKOSNE-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053535
n1c(CNC(=O)Cc2c3ccccc3[nH]c2)c2c(CCCCC2)[nH]1	EMOLS-id_50526587,MCULE-4188878465,PC-id_90647555	322.404	DBRLEBLWVANJQK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053536
N#Cc1ccc(cc1)CC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319351732	322.404	MXRGMHIAWWJFNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053537
N#Cc1ccc(cc1)C(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)(C)C	EMOLS-id_318782572	322.404	QOYVIMYGJNGJNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053538
N#CC(c1ccc(cc1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)(C)C	EMOLS-id_319621205	322.404	SHVWABCMSKKCJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053539
N#CC(=Cc1ccc(cc1)OC(C)C)c1nnc2n1CCCCC2	EMOLS-id_31998534,MCULE-9533085114,PC-id_72050953	322.404	AUWUBEIPWQAWLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053540
N#C/C(=Cc1ccc(cc1)OC(C)C)/c1nnc2n1CCCCC2	PC-id_93977492	322.404	AUWUBEIPWQAWLR-FOWTUZBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053541
N#CC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)CCc1ccccc1	MCULE-7865742318,EMOLS-id_319884130	322.404	IYDYPKDKZMOFDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053542
O(c1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1)C(C)C	PC-id_46800543	322.404	IKWVHHPUKVKLKQ-FOWTUZBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053543
O(c1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1)C(C)C	PC-id_75221254	322.404	IKWVHHPUKVKLKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053544
O(c1ccc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)CCC	PC-id_47005692	322.404	MAAPYJKRRPPZJJ-SSZFMOIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053545
O(c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)CCC	PC-id_51167040	322.404	MAAPYJKRRPPZJJ-DTQAZKPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053546
O=C(c1cc2c([nH]1)ccc(c2C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101672960	322.404	ZPQQCEPDNGLFLG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053547
O=C(C1=CCCC1)N1CCc2n(CC1)c(nn2)Cc1ccccc1	PC-id_42452662,CoCoCo_1342876	322.404	FQQRQVPGKXDHOJ-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-053548
O=C(c1cccc2c1[nH]c(c2C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101669326	322.404	DCIMZOUBAOCITD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053549
O(C(C)C)c1ccc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1	PC-id_47046163	322.404	AUWUBEIPWQAWLR-VBKFSLOCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053550
O=C(N1CCCc2c(C1)cnn2C)Cc1c(C)[nH]c2c1cccc2	EMOLS-id_101669338	322.404	OVNGRMKEDYXVAH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053551
O=C(N1CCCc2c(C1)cnn2C)Cc1c[nH]c2c1cccc2C	EMOLS-id_101672984	322.404	VLUOHEJKEHMKJF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-053552
O=C(N1CCC=C(C1)c1ccccc1)C1CCn2c(CC1)nnc2	EMOLS-id_319365182	322.404	NFIARDRCTPBILX-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-053553
O=C(N1CCCn2nc(cc2C1)C#N)c1c(c(cc(c1C)C)C)C	PC-id_46995621	322.404	HOSCWRPUCCLXBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053554
c12C(=O)NCCCc1nc(NC(=O)NCc1cccs1)s2	ZINC22_206890184,EMOLS-id_50139281,PC-id_76150360,MCULE-3565831115	322.406	ISWDKODZFFVTPV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053555
C1CCc2c(CC1)sc(n2)/N=C/c1c([nH]c(=S)[nH]c1=O)O	PC-id_135672207	322.406	XKOJYKFXOMWEIZ-MKMNVTDBSA-N	00000000100000100101000000000010000000000000000000000000	31-01-053556
c1(C(CC(C)C)NC(=O)CNC(=O)C)nnc2CCNCCn12	MCULE-9727807988,PC-id_56721542,EMOLS-id_36463639	322.406	SYWUSTKNFHNUTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053557
c1(sc(C)nc1C)C(=O)Nc1sc2C(=O)NCCCc2n1	PC-id_72719980,ZINC22_96124387,EMOLS-id_48619026,MCULE-7109792995	322.406	DPWCDELQDGZYPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053558
Cc1csc(c1)S(=O)(=O)N1CCCn2nc(cc2C1)C#N	MCULE-5273662997,ZINC22_826805752,EMOLS-id_232897853	322.406	VSKMNZBWMRPPFK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053559
Cc1nc(C(=O)N2CCc3nc(C(=O)N)sc3CC2)cs1	EMOLS-id_313794101,ZINC22_1565555007	322.406	NNVUOOCWDMQODM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053560
CC1OCCC(C1)CCNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168430	322.406	NWUNSUNGHQXSHO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053561
CCC1(CCOCC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182637	322.406	AAENBDPZNYJGMY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053562
CCC1OC(CC)CN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102107138	322.406	MOBVENHBZLQRCC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053563
CC(C1OCCCN(C1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102161365	322.406	VNFUELQGCPNNEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053564
CC(CC1CCCCN1C(=O)NC1CCn2c(CC1)nnn2)O	MCULE-9583574975,EMOLS-id_102168982	322.406	WJVCYSKQRYMNCO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053565
CC(CC1COCCN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102163315	322.406	XGNTVJCPLHVLJI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053566
CC(COC1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102165130	322.406	YIMDEJLWRMMUDH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053567
CCOC1(CCCC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102181332	322.406	IPRPMEGYRLKALJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053568
CCOCC1CCCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102107057	322.406	PNUGNGCTNPPWCO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053569
CCO[C@@H]1CCCC[C@H]1NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183042	322.406	JZNOEBACKMPXBT-VFRRUGBOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053570
CC(=O)NCC(=O)N[C@H](CC(C)C)c1nnc2n1CCNCC2	PC-id_95228278,ZINC22_67955797	322.406	SYWUSTKNFHNUTF-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053571
CC(=O)NCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCNCC2	ZINC22_67955795,PC-id_95228277	322.406	SYWUSTKNFHNUTF-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053572
CN1CCOC(C1)C(NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319057470	322.406	SAQJSGUXBXPIQF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053573
COC1C(C)C(C1(C)C)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166747	322.406	LRHIEEFQTXAHPQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053574
COC1(C)CC(C1(C)C)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182628	322.406	GZPBEPFYLCUOLS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053575
COC1(CCCCC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102170288	322.406	UWDDAWIASWCSQF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053576
COC1CCC(CC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182814	322.406	SLPIJAVVGNMAGT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053577
COCC1(CCCC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183027	322.406	WGBQUIVANNKUKT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053578
COCC1CCC(CC1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102160927	322.406	QYFLGAJUOVPFPF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053579
COC(C(NC(=O)NC1CCn2c(CC1)nnn2)C)(C1CC1)C	EMOLS-id_102158848	322.406	LGMJQDGTANZYJX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-053580
N#Cc1ccc(s1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320004857,MCULE-3681864315	322.406	COSOFSGDCINELC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053581
N#Cc1c(sc2c1CCCCC2)NS(=O)(=O)c1ccn[nH]1	PC-id_102691860	322.406	WVSGSKJFTLUIGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053582
N#Cc1scc(c1)CS(=O)(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_258174624	322.406	LMWWABYVUQGGFW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053583
N#Cc1sccc1S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319346426	322.406	LJAXIBBNBYPBBR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053584
OC1CCCCC1CN(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102167041	322.406	GHNWGQFTAYKBRM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053585
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1nsnc1	EMOLS-id_33354056,MCULE-2939214448,PC-id_51119023	322.406	ZPHZVQFLZLDPDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053586
O=C(N1CCCc2c(C1)ccs2)Nc1cnc(s1)C(=O)N	EMOLS-id_319320335	322.406	CANMOWQYFXNUEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053587
O=C(N1CC(C)(C)OC(C1)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102168862	322.406	GPCXNCMLKTYEBZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053588
O=C(N1CCCn2c(C1)cc(n2)N)NCC(N1CCOCC1)C	EMOLS-id_318904500	322.406	POKHBRKRLUVGBC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053589
O=C(N1CCOC(C1)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102168979	322.406	FNMQZASDCPVSST-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053590
O=C(NC1CCn2c(CC1)nnn2)NCC1(CC1)C(C(C)C)O	EMOLS-id_102167023	322.406	SVRCAPSTEWRPRN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-053591
O=C(NC1CCn2c(CC1)nnn2)NCC1(C)CCCCC1O	EMOLS-id_102165001	322.406	XNYQMIKWEMMZAS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053592
O=C(NC1CCn2c(CC1)nnn2)NCC1CCOC(C1)(C)C	EMOLS-id_102158716	322.406	IBGDMNVTEHHQLP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053593
O=C(NC1CCn2c(CC1)nnn2)NCC1(O)CCCC1(C)C	EMOLS-id_102161305	322.406	OLODGWYBPNFDAH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053594
O=C(NC1CCn2c(CC1)nnn2)NCC1(O)CCCCCC1	EMOLS-id_102163399	322.406	SIPDSKREKZJTRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053595
O=C(NC1CCn2c(CC1)nnn2)NCC(C1CCCCC1)O	EMOLS-id_102159148	322.406	ZRZZRPPCWGWZBR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053596
O=C(NC1CCn2c(CC1)nnn2)NCCOC1CCCCC1	EMOLS-id_102171662	322.406	DBDZJFTYMQETDL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053597
O=C(NC1CC(OC1(C)C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102166786	322.406	WPONINSKYOBQPH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053598
O=C(NCc1nnc2n1CCCCC2)CNC(=O)[C@H](C(C)C)N	MCULE-3667071701,PC-id_120169965,EMOLS-id_303021372	322.406	VIVVWDOMDRAWLP-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053599
O=C(NCCc1n2CCCCCc2nn1)C(NC(=O)NC)(C)C	PC-id_60569136	322.406	UDVSTDWQIRBPMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053600
s1c2c(CCCCC2)c(c1NS(=O)(=O)c1c[nH]nc1)C#N	PC-id_60917299	322.406	ZBZUMSUUNADJDH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053601
s1c2c(CCCCC2)c(c1NS(=O)(=O)c1[nH]cnc1)C#N	PC-id_64155506	322.406	XKXAUQWNEHHCQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053602
s1c2CCCCCc2nc1NC=C1C(=O)NC(=S)NC1=O	PC-id_21236050	322.406	VYGXFDSIBMHZDW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053603
s1c2CCCC(=O)N(c2cc1)Cc1nc(sc1)C(=O)NN	PC-id_63748808	322.406	MBLSRNKOMFBDGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053604
c1ccc(cc1)C(c1nc[nH]c1)NCc1nnc2n1CCCCC2	MCULE-2325307591,EMOLS-id_324022892,PC-id_146104256	322.407	BQVDIZOXIZJENS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053605
c1ccc(cc1)C(c1[nH]ccn1)NCc1nnc2n1CCCCC2	MCULE-2607996184,EMOLS-id_320366624	322.407	GBECIEYXJKXESW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053606
c1ccc([C@@H](NCc2nnc3n2CCCCC3)c2cnc[nH]2)cc1	ZINC22_1875285062	322.407	BQVDIZOXIZJENS-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053607
c1ccc([C@H](NCc2nnc3n2CCCCC3)c2cnc[nH]2)cc1	ZINC22_1875285063	322.407	BQVDIZOXIZJENS-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053608
c1ccc([C@H](NCc2nnc3n2CCCCC3)c2ncc[nH]2)cc1	ZINC22_185206174	322.407	GBECIEYXJKXESW-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053609
c1ccc([C@@H](NCc2nnc3n2CCCCC3)c2ncc[nH]2)cc1	ZINC22_185206189	322.407	GBECIEYXJKXESW-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053610
c1ccc(n2cccn2)c(CNCc2nnc3n2CCCCC3)c1	ZINC22_89813995,PC-id_71922872,EMOLS-id_45662731	322.407	LFVSSZZWOAGPSE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053611
c1ccc(n2cc(CNCc3nnc4n3CCCCC4)cn2)cc1	EMOLS-id_35683549,PC-id_53520624,MCULE-8809466667,ZINC22_61555852	322.407	YCBWUMOOTJYRJK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053612
c1c[nH]c(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)n1	PC-id_121547551,EMOLS-id_75977169,ZINC22_185382137,MCULE-9984858472	322.407	KYEUXCMKEOKSLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053613
Cc1cccc(CN2Cc3nccn3C[C@H](Cn3cccn3)C2)n1	PC-id_97462984,ZINC22_96188550	322.407	MYDQOSXHTDZYLS-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053614
Cc1cccc(CN2Cc3nccn3C[C@@H](Cn3cccn3)C2)n1	PC-id_97462985,ZINC22_96188551	322.407	MYDQOSXHTDZYLS-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053615
Cc1cccc(CN2CCc3ncc(Cn4cccn4)n3CC2)n1	PC-id_97467087,ZINC22_96196943,EMOLS-id_44328815	322.407	LWNIGBVHZWQFFU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053616
Cc1cccc(CN2CCc3nnc(Cn4cccc4)n3CC2)n1	CHEMBL3553200,EMOLS-id_46182971,PC-id_97405794,ZINC22_96084976	322.407	IAAXMYVXZDTLOE-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-053617
Cc1cccc(CN2CC(Cn3cccn3)Cn3ccnc3C2)n1	EMOLS-id_44326393	322.407	MYDQOSXHTDZYLS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053618
Cc1cccc(CN2CCCn3c(Cn4cccc4)nnc3C2)n1	EMOLS-id_44370828,PC-id_97519722,ZINC22_96259640	322.407	JERKIMQBRWLZBK-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-053619
Cc1ncc(CN[C@H]2CNCc3ccnn3C2)n1c1ccccc1	ZINC22_2325787181	322.407	HXFYYBOKARLCLG-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053620
Cc1ncc(CN[C@@H]2CNCc3ccnn3C2)n1c1ccccc1	ZINC22_2325787182	322.407	HXFYYBOKARLCLG-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-053621
C=C(NC1Cc2ccccc2C1)Nc1n[nH]c2c1C(=NCCC2)N	PC-id_89023519	322.407	LYBWMDKEARUCNR-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-053622
Cn1ccnc1CN1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337790076,ZINC22_2356163882,MCULE-7592212904	322.407	VTOLAHHAKKKLSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053623
N#CC(=Cc1cnc(nc1)C(C)(C)C)c1nnc2n1CCCCC2	EMOLS-id_257902876,MCULE-1605182475	322.407	ZCTPSWDKSGVZDV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-053624
Cc1ccc(cc2-c1c(cc2)C=CC=CC(=C(C=O)F)C)C(C)C	PC-id_89145518	322.416	CZJOHRCKDYJQPT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053625
O=C/C(=C(/C=C/C=C/c1ccc2-c1c(C)ccc(c2)C(C)C)C)/F	SCHEMBL13674653	322.416	CZJOHRCKDYJQPT-AEACOPBNSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053626
CCC(c1c2-c(c(cc2)S(=O)(=O)O)cc(cc1)C(C)C)OC	PC-id_88671628	322.419	AZMMEWSNBZESBQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053627
CCC(c1cc2-c(ccccc2)c1S(=O)(=O)O)C(CC)OC	PC-id_88671139	322.419	DDQCGFPKSXMGMN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053628
CCCc1cc(c2-c1c(OC)ccc(c2)C(C)C)S(=O)(=O)O	SCHEMBL10809984,PC-id_13559102	322.419	VDOVFAKRJKPSSB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053629
CCCCCCc1cc(c2-c1c(OC)cccc2)S(=O)(=O)O	PC-id_13559097,SCHEMBL10804255	322.419	DUOYQDJOKPOKMW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053630
CCC(C(CC)OS(=O)(=O)c1c2-c(ccccc2)cc1)OC	PC-id_88671141	322.419	DNDODCORVDPOKV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053631
CCC(OS(=O)(=O)c1cc(c2-c1ccccc2)C(C)C)OC	PC-id_141549270	322.419	DJGQAPSLVJEIJF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053632
CCOc1cc(ccc2-c1c(CC)cc2S(=O)(=O)O)C(C)C	PC-id_14830585,SCHEMBL7790495	322.419	XOIDDADGUFFFPV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053633
CC(C)N(C)CC1CN(Cc2nccn2C1)C(=O)C1(F)CCC1	EMOLS-id_313783447	322.421	PPDMZOHJNZMVAO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053634
CC(C)N(C)C[C@@H]1CN(C(=O)C2(F)CCC2)Cc2nccn2C1	ZINC22_1565542116	322.421	PPDMZOHJNZMVAO-AWEZNQCLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053635
CC(C)N(C)C[C@H]1CN(C(=O)C2(F)CCC2)Cc2nccn2C1	ZINC22_1614946296	322.421	PPDMZOHJNZMVAO-CQSZACIVSA-N	00001000100000000101000000000010000000000000000000000000	31-01-053636
FC1CCN(C1)CCC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_318861660	322.421	DBZHXKXXKPCXBJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-053637
O=C1CCCN(c2c1cnn2C)CCCN1CCC(CC1)(C)F	SCHEMBL16260501,PC-id_117715187	322.421	WZPNMUYQHBFZOR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053638
c1(c2CCCCCc2sc1NC(=O)C)C(=O)N1CCOCC1	MCULE-9258441936,CoCoCo_731764,ChEMBL-DNDi_CHEMBL1595250,ZINC22_130301,EMOLS-id_2019748,PC-id_724225	322.422	RCLKTYSMMACBOZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053639
c1(c2CCCCCCc2sc1NC(=O)OC)C(=O)NC1CC1	EMOLS-id_2043714,TIMTEC26581,ZINC22_1056429,PC-id_1247559,CoCoCo_543634,CHEMBL1347027,MCULE-8169934624	322.422	ABXUVZRZAUNYLI-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-053640
c1(NC(=O)C2CCCO2)sc2c(CCCCCC2)c1C(=O)N	MCULE-9727182612,EMOLS-id_1094394,SCHEMBL18177320,PC-id_2862768	322.422	JJTZWRPLMGBWMZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-053641
COC(=O)c1c(NC(=O)N2CCCC2)sc2c1CCCCC2	EMOLS-id_110264088	322.422	QWFAZGTZBGAHDE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-053642
N#CC1(CCCCC1)CS(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99304445	322.422	YHHSDVMMOHZPGJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-053643
NC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCCCC2	CoCoCo_684443,ZINC22_433881,PC-id_868866,GD-id_ZINC00433881	322.422	JJTZWRPLMGBWMZ-LLVKDONJSA-N	00000010100000000100000000000010000000000000000000000000	31-01-053644
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s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCOCC1	PC-id_51192842	322.422	QINZSUZQJQTJKR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-053655
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s1c2c(CCCCC2)cc1C(=O)N1CC(CCC1)C(=S)N	PC-id_64443228	322.489	BTQLRDJUGAIKFF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-053843
s1c2c(CCCCC2)cc1C(=O)NC1(CCCC1)C(=S)N	PC-id_61118934	322.489	NFXOEIROSVZTRB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-053844
s1c2c(CCCCC2)cc1C(=O)NC1C(CCC1)C(=S)N	PC-id_62955529	322.489	DERQXWFAJSLJHE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-053845
s1c2CCCCCc2c(c1NC(=O)CSCC(C)C)C#N	PC-id_55315410	322.489	BJGPANCWPQURAN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053846
s1c(C(=O)N(C2CC2)CCC(=S)N)cc2c1CCCCC2	PC-id_61588310	322.489	YGCMLHUYEHQQTM-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-053847
S(C1C(=O)N(CC2C3CC(C2)CC3)CCc2ncsc12)C	PC-id_22984885	322.489	NMWYCGIHDRDYFZ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-053848
S(c1n2CCCCCc2nn1)CCNCc1sccc1C	PC-id_62576279	322.492	PCLHVBQPMGYDMZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053849
S(c1n2CCCCCc2nn1)CCNCc1sc(cc1)C	PC-id_62576693	322.492	ZPDAJNAWODTFJL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053850
S(c1n2CCCCCc2nn1)C(CNCc1sccc1)C	PC-id_62577098	322.492	AHQJDCLXYBUACT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053851
S(c1n2CCCCCc2nn1)CCNC(c1sccc1)C	PC-id_62578364	322.492	XXFLBMVIHFGSCM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053852
S(c1n2CCCCCc2nn1)CCNCCc1ccsc1	PC-id_62576481	322.492	BBBQAGWKUACCPR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053853
S(c1n2CCCCCc2nn1)CCNCCc1sccc1	PC-id_62578365	322.492	ASXLBWHVFCABAV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053854
S(C(C(N)C)c1sc(cc1)C)c1n2CCCCCc2nn1	PC-id_61626263	322.492	MCRRXDPNTVLTPL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053855
S(C(C(N)C)c1sccc1C)c1n2CCCCCc2nn1	PC-id_61626993	322.492	FUBQUAWVIRNYLJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053856
S(C(C(N)CC)c1ccsc1)c1n2CCCCCc2nn1	PC-id_61623751	322.492	ZDXSIHAQNZNJTH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053857
S(C(C(N)CC)c1sccc1)c1n2CCCCCc2nn1	PC-id_61622883	322.492	AKPRZISOIMMMFV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-053858
CC(C)N(CCNC(=O)c1cc2c(s1)CCCCC2)C(C)C	ZINC22_14070460,CoCoCo_3914715,PC-id_17432133,MCULE-5090256879,EMOLS-id_12001955	322.509	CYZNVPPIOWDIER-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053859
s1c2c(CCCCCC2)cc1C(=O)NCC(CN(C)C)(C)C	PC-id_56777904	322.509	ONIHVMAJJUHPCK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053860
[Si](OC1CCCC(=O)c2nc([nH]c12)CCC)(C(C)(C)C)(C)C	PC-id_11484108	322.518	CUHIOMJGQKCMAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053861
CCSCC1CCc2c(CN1)sc(n2)S(C)(C)S	PC-id_91345102	322.576	NVZKPRYCIRXKRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053862
s1c(=S)sc2SCCCCCCCCCSc12	CT-id_2217544,PC-id_139074277	322.596	OCHHFSSHQIJYFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053863
O=C1C=CC(=O)Oc2n(O1)c(cn2)Cc1cccc(c1F)Cl	PC-id_142688914	322.676	OAYBBPVBXQXPOP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-053864
Clc1ccc(OCC(=O)N2CCc3n[nH]c(=O)n3CC2)cc1	EMOLS-id_50585825,PC-id_91922362,MCULE-8702415400	322.747	VPYDLHVISRZKMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053865
O=C(C1COCC1)NNC(=O)c1cc2=CC(=NCC=c2[nH]1)Cl	PC-id_143099225	322.747	YFWJSSVHQXTJOX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053866
c1(C(=O)NCc2c(cccc2F)Cl)cn2c(CCNCC2)n1	EMOLS-id_330376933,MCULE-3740628742,ZINC22_1857712182	322.765	FQYHOJHJKANOKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053867
Cc1nnc2CCN(CCn12)C(=O)Cc1c(F)cccc1Cl	SCHEMBL16100390,EMOLS-id_20597123,CoCoCo_1413821,ZINC22_12148790,PC-id_42428784,MCULE-2555149179	322.765	SOKBSBLXQACNFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053868
Clc1ccc(c(c1)F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101959093	322.765	LYPNAQGHKLEYPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053869
Clc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101965236	322.765	LOTLISRZIYVNIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053870
Fc1ccc(c(c1)Cl)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101959072	322.765	OKSHLGRIHQSGBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053871
Fc1cc(cc(c1)Cl)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101969145	322.765	CMZWQPMMCOIMMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053872
Fc1ccc(c(c1)C(=O)NCc1nnc2n1CCCCC2)Cl	EMOLS-id_318444065	322.765	UTRAOCQQFOGMIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053873
Fc1cc(Cl)cc(c1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_317968835	322.765	JPJAKYUTKVAXBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053874
O=C(c1cccc(c1Cl)F)NCc1nnc2n1CCCCC2	EMOLS-id_317915855	322.765	YFZKLANARYKMRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053875
O=C(c1ccc(c(c1)Cl)F)NCc1nnc2n1CCCCC2	EMOLS-id_318482959	322.765	ZIBLKKAKHLWBDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053876
O=C(c1ccc(c(c1)F)Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318444938	322.765	BIEGIQLNFYKYOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053877
O=C(c1cccc(c1F)Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318471691	322.765	XBLMMIMYQCLNKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053878
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(c(c1)Cl)F	EMOLS-id_319526676	322.765	COHFMFBNNSHIIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053879
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1Cl)F	EMOLS-id_101863658	322.765	AGIBBSDZCOPIDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053880
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)F)Cl	EMOLS-id_101951961	322.765	MMBNOTIIINXADR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053881
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1F)Cl	EMOLS-id_101963313	322.765	RGOLVNFHPKMBLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053882
O=C(NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1F	ZINC22_24987455,PC-id_24249520,MCULE-7753519246,CoCoCo_4625767,EMOLS-id_17218333	322.765	MYMUYOMXEMGUON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053883
O=C(NCc1nnc2n1CCCCC2)c1ccc(F)cc1Cl	ZINC22_24982814,EMOLS-id_17214718,PC-id_24248591,MCULE-4776049473,CoCoCo_4625722	322.765	SCPZPAVAWFEYDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053884
O=C(NCc1nnc2n1CCCCC2)c1cc(Cl)ccc1F	PC-id_25524469,ZINC22_12804060,MCULE-9420742189,CoCoCo_4625771,EMOLS-id_18842364	322.765	UCFJXZODNLXRSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053885
O=C(NCc1nnc2n1CCCCC2)c1c(F)cccc1Cl	ZINC22_40489047,CoCoCo_4625710,MCULE-6996017045,PC-id_45805011,EMOLS-id_29994365	322.765	MMWJWEWJXZGSOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053886
CN(Cc1cc(O)ccc1Cl)Cc1nnc2n1CCOCC2	ZINC22_1615553942,EMOLS-id_320330439,MCULE-1514861198	322.79	VAODDCVNBORTRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053887
COc1cc(Cl)c(CN2CCc3nncn3CC2)cc1OC	PC-id_29254431,MCULE-2660182962,CoCoCo_1338973,ZINC22_20993598,EMOLS-id_20546885,CoCoCo_1338972	322.79	GKQHAPOPIJIUBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053888
O=C(NCCCc1nnc2n1CCCCC2)c1ccoc1Cl	EMOLS-id_316879627,ZINC22_192389253,MCULE-9785088026	322.79	LVSDOBHQIVNUDW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-053889
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)nn(c(Cl)n1)C	MCULE-8978857784,EMOLS-id_323992137,PC-id_145932312,ZINC22_1857687508	322.793	UZNWKIOLIJSZIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053890
Clc1cnn(CCC(=O)NCc2cc3CNCCCn3n2)c1	ZINC22_82115071,MCULE-3380094895,EMOLS-id_44436953,PC-id_70742848	322.793	KRBPRTQEXYBYIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053891
Clc1n(nc(c1C(=O)NCc1n2CCCCCc2nn1)C)C	PC-id_24676724	322.793	TUEGLBHZVSTQGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053892
CN(C(=O)c1c(C)n[nH]c1Cl)Cc1nnc2n1CCCCC2	MCULE-2130951210,EMOLS-id_258032667	322.793	FBBRNVZBUAFOAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053893
O=C(c1c(C)n[nH]c1Cl)NCCc1nnc2n1CCCCC2	EMOLS-id_278506163	322.793	NVMHPKQNHPGCRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053894
Cc1cc(F)c(c(c1)Cl)CNCc1nnc2n1CCCCC2	EMOLS-id_318738085,MCULE-5250596576	322.808	LUGYJYGZNYSMLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053895
CC(c1ccc(c(c1)Cl)F)NCc1nnc2n1CCCCC2	EMOLS-id_318065370,MCULE-6007154010	322.808	GPYWXJCXCDBFEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053896
CC(c1ccc(c(c1)F)Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318014572,MCULE-1265737914	322.808	MOJYOKJXTRTENE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053897
CC(c1c(F)cccc1Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318063993,MCULE-9959993412	322.808	LPEFQNZWIVTGAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053898
CC(C)c1nnc2CCN(Cc3c(F)cccc3Cl)CCn12	MCULE-4822826323,CoCoCo_1133640,PC-id_30853322,CoCoCo_1133641,ZINC22_23129674,EMOLS-id_20401330	322.808	GZBUASNQODQEFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053899
C[C@@H](NCc1c(F)cccc1Cl)c1nnc2n1CCCCC2	MCULE-3585381096,PC-id_122142538,MCULE-6855765941,ZINC22_315407434,EMOLS-id_172311993	322.808	IKJHVYMJBKNILT-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053900
Clc1ccc(c(c1)F)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318605273,MCULE-1356380771	322.808	SQMJMLSSSANTQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053901
CN(Cc1ccc(Cl)c(F)c1)C1CCc2nnc(C)n2CC1	MCULE-6802227559,EMOLS-id_168607865	322.808	XIZDONWBTFMVMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053902
Fc1ccc(c(c1)Cl)[C@@H](NCc1nnc2n1CCCCC2)C	MCULE-3328381466,EMOLS-id_318153043	322.808	GKENTIVEMAQYKC-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-053903
Fc1ccc(c(c1)Cl)[C@H](NCc1nnc2n1CCCCC2)C	MCULE-7160653997,EMOLS-id_318242328	322.808	GKENTIVEMAQYKC-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053904
Fc1ccc(c(c1)Cl)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_318118969,MCULE-5334982247	322.808	GKENTIVEMAQYKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053905
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(c(c1)O)Cl	MCULE-8087056626,EMOLS-id_320194076	322.81	PQOBUFPPVVTCGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053906
Clc1cc(ccc1OC1CNCCc2c1ccs2)C(=O)N	SCHEMBL2843896,PC-id_68413093	322.81	NSTCUPHVUXDLDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053907
Clc1cc(ccc1OC1CNCCc2c1scc2)C(=O)N	PC-id_68410395,SCHEMBL2837709	322.81	VEBLNJGLPLTTQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053908
Clc1ccc(c(c1)O)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319477917	322.81	PVADDGRZBMPCIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053909
Clc1cc(Nc2sc3c(n2)CCCCC3=O)c(OC)cc1	PC-id_25131146,SCHEMBL3792555	322.81	DFEZUHRXNYHSOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053910
Oc1ccc(c(c1)C(=O)N1CCCCc2c1sc(n2)C)Cl	EMOLS-id_318854175	322.81	CSOFUKYGASKZFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053911
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(O)c(Cl)c1	CoCoCo_4564197,EMOLS-id_25654874,PC-id_30254421,MCULE-1941487497,ZINC22_22374760	322.81	XWMHQTNIXZJKAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053912
O=C(c1nccnc1Cl)Nc1sc2c(n1)CCCCCC2	EMOLS-id_316578601	322.813	HLOIXNCYARTWOZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-053913
NC(=N)c1ccnc(c1Cl)Sc1nnc2n1CCCCC2	PC-id_107060909	322.816	HDMQPSREBYQBOL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053914
Clc1ccc(c(c1)CC(=O)c1cc2c(s1)CCCCC2)F	PC-id_103052641	322.825	INACYYNZLDRCGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053915
Clc1ccc(c(c1)F)CC(=O)c1cc2c(s1)CCCCC2	PC-id_115815893	322.825	AFGCSAUBXAISFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053916
Clc1c(CC(=O)c2sc3CCCCCc3c2)c(F)ccc1	PC-id_63527332	322.825	HTLUYPXJKXENGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053917
Clc1c(C(=O)c2sc3CCCCCc3c2)cc(c(F)c1)C	PC-id_81049976	322.825	HOPROKCFLYHBHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053918
ClC(C(=O)c1sc2CCCCCc2c1)c1ccc(F)cc1	PC-id_81237876	322.825	SSSQJUALTNNZBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053919
Fc1ccc(c(c1)CC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_102622391	322.825	XZNFTNDNCLJKLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053920
Fc1ccc(c(c1)Cl)CC(=O)c1cc2c(s1)CCCCC2	PC-id_114967261	322.825	RXQVUHUKJDCPSN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053921
O=C(c1cc2c(s1)CCCCC2)Cc1ccc(c(c1)Cl)F	PC-id_103042829	322.825	FACLQNRNWNBNSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053922
O=C(c1cc2c(s1)CCCCC2)Cc1cccc(c1Cl)F	PC-id_115797518	322.825	KBEXIEUPKDQMTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053923
O=C(c1cc2c(s1)CCCCC2)Cc1cccc(c1F)Cl	PC-id_102865743	322.825	VSBLBLRDDVTHBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053924
O=C(c1cc2c(s1)CCCCC2)Cc1ccc(c(c1)F)Cl	PC-id_107890890	322.825	ZRILQNRAOWRTNO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053925
CCc1n[nH]c(c1CNCCc1nnc2n1CCCCC2)Cl	EMOLS-id_279073895	322.836	XQGJSEHMJKREJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053926
Clc1cc(C(O)c2sc3c(CCCCC3)c2)ccc1OC	PC-id_61101215	322.85	WPTWYLQBORUODW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053927
Clc1c(C(O)c2sc3c(CCCCC3)c2)ccc(OC)c1	PC-id_63426946	322.85	GFQWHEUZMKCXPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053928
COc1ccc(cc1C(c1cc2c(s1)CCCCC2)O)Cl	PC-id_104546257	322.85	USINFUVKYIKNGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053929
COc1cc(ccc1Cl)C(c1cc2c(s1)CCCCC2)O	PC-id_115818046	322.85	SLCIBULVLSDPDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053930
CCCn1ncc(c1C(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_115805683	322.853	DBPUIEIOPBXZPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053931
Clc1cnn(c1C(=O)c1cc2c(s1)CCCCC2)C(C)C	PC-id_115805026	322.853	BEPMIIXODPNZHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053932
COc1ncnc(c1)CC(c1cc2c(s1)CCCCC2)Cl	PC-id_104304265	322.853	FNUZDYMGSVUILV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-053933
O=C(c1cc2c(s1)CCCCC2)Cc1c(C)nn(c1Cl)C	PC-id_115799658	322.853	WLGCMWWDSHAVPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053934
O=C(c1cc2c(s1)CCCCC2)Cc1n(C)nc(c1Cl)C	PC-id_114979233	322.853	UCOTVENBHCVCBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053935
Clc1ccc(C(Sc2n3CCCCCc3nn2)CN)cc1	PC-id_61616398	322.856	ZVVWSAPABXHZTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053936
Clc1cc(c(/N=C/2SC(=C)N3N2CCCCC3)nc1C)C	PC-id_18717487	322.856	QSHVOKLSCBFZDE-SDXDJHTJSA-N	00000010000000101101000000000010000000000000000000000000	31-01-053937
Clc1ccc(NCCSc2n3CCCCCc3nn2)cc1	PC-id_62576479	322.856	DTEKOSWSCTYUQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053938
Clc1cc(C(Sc2n3CCCCCc3nn2)CN)ccc1	PC-id_61618242	322.856	JRGGMSCNWIOJIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053939
Clc1c(C(N)C)ccc(Sc2n3CCCCCc3nn2)c1	PC-id_64333928	322.856	RENADDLFCJLLHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053940
Clc1cc(NCCSc2n3CCCCCc3nn2)ccc1	PC-id_62578144	322.856	SNHUFBYUMOLEJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053941
Clc1c(c(Sc2n3CCCCCc3nn2)ccc1)CCN	PC-id_63820134	322.856	VCBUASFLDUCGHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053942
Clc1c(c(Sc2n3CCCCCc3nn2)ccc1)CNC	PC-id_63805986	322.856	VZRVNLCIKLXCER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053943
Clc1c(C(Sc2n3CCCCCc3nn2)CN)cccc1	PC-id_61620987	322.856	SNOTVJMUUFVFHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053944
Clc1c(NCCSc2n3CCCCCc3nn2)cccc1	PC-id_62579208	322.856	BRWOCWANCVPXCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053945
Clc1c(Sc2n3CCCCCc3nn2)ccc(CCN)c1	PC-id_81159701	322.856	OKFIKMXJXDOKMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053946
Clc1c(Sc2n3CCCCCc3nn2)ccc([C@H](N)C)c1	PC-id_63370247	322.856	WTDJFINFBYWGMK-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053947
Clc1c(Sc2n3CCCCCc3nn2)ccc([C@@H](N)C)c1	PC-id_78938008	322.856	WTDJFINFBYWGMK-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-053948
Clc1c(Sc2n3CCCCCc3nn2)ccc(C(N)C)c1	PC-id_62911061	322.856	WTDJFINFBYWGMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053949
Clc1c(Sc2n3CCCCCc3nn2)ccc(CNC)c1	PC-id_81159667	322.856	ORPOFVPLXHXJKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053950
CNCc1ccc(cc1Cl)Sc1nnc2n1CCCCC2	PC-id_108300928	322.856	VCZRYZJUEREXFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053951
CNCc1cccc(c1Sc1nnc2n1CCCCC2)Cl	PC-id_108344799	322.856	UWWIWBAYFWRKCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053952
CNCc1ccc(cc1Sc1nnc2n1CCCCC2)Cl	PC-id_114864086	322.856	PCSNXLIGPKSQEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053953
CNCc1cc(Cl)ccc1Sc1nnc2n1CCCCC2	PC-id_114864087	322.856	MIYJSTMWQASICF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053954
CSc1ccc(cc1NCc1nnc2n1CCCCC2)Cl	EMOLS-id_318263644	322.856	JIWUVMFHTNNHKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053955
NCc1ccc(c(c1)Cl)CSc1nnc2n1CCCCC2	PC-id_102669111	322.856	MKPYMAACYIFIGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053956
NCCc1ccc(cc1Cl)Sc1nnc2n1CCCCC2	PC-id_108301762	322.856	ZNGDRUXGWXQNQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053957
NCCc1cccc(c1Sc1nnc2n1CCCCC2)Cl	PC-id_108346395	322.856	BIQYVNJVIPNVCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053958
NCCc1ccc(cc1Sc1nnc2n1CCCCC2)Cl	PC-id_114865995	322.856	SVBVVOODFDSQKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053959
NCCc1cc(Cl)ccc1Sc1nnc2n1CCCCC2	PC-id_114865994	322.856	SRPCTPJNSXBGLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053960
ClC(c1sc2c(CCCCC2)c1)c1cc(c(F)c(c1)C)C	PC-id_65296901	322.868	MKFXXOOHYWSWFM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053961
Fc1cc(C)c(c(c1)C)C(c1cc2c(s1)CCCCC2)Cl	PC-id_106879653	322.868	USQRHFVGYKFFCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053962
CC/C=C(/c1nc(c2n1C[C@@H](C)OCC2)C)C=C(/C(C)C)Cl	PC-id_134550654,SCHEMBL20198369	322.873	MZVBIKMFFNOMLY-IVOVZRKDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053963
ClC/C=Cc1[nH]c2c(c1)CCCCCCCCCC2C(=O)N	PC-id_143751693	322.873	SHBHQEPHJRDOAF-NTMALXAHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-053964
Clc1sc(Cn2cc3C(NCCC)CCCCc3c2)cc1	PC-id_83211774	322.896	YPSBJPYBHCPJET-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-053965
CC1C=C2C(=CC=C1Cl)N=C(S2)I	PC-id_164987474	322.903	GJEWCCAHEISYLD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-053966
Ic1c(Cl)c2-c(c1Cl)ccccc2	PC-id_12039467	322.957	BCZBQQCNRZVANG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053967
CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(CC2)SC(=N3)N	PC-id_154685594	323.076	IJBZPMSSLBOQEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053968
CCOC(=O)C1=NC2=C(S1)N(CCCC2)CC3=CN=CS3	PC-id_154771615,MCULE-3586967533,EMOLS-id_317345809	323.076	GGYZDVIYGOGUEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053969
CC(=O)NC1=NC=C(S1)CN2CCC3=C(CC2)SC(=N3)N	PC-id_154685791	323.087	NUNNVKRTRCUQNY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053970
CN1C(=CC=N1)S(=O)(=O)NC(=O)C2=NNC3=C2CCCCC3	PC-id_154754245,MCULE-2132998192,EMOLS-id_112056998	323.105	JPCZIEKGRMIMLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053971
CCOC(/C=C/C1C(CC=C(C2=C1SC=C2)[N+](=O)[O-])C)OC	PC-id_164153228	323.119	ZGLLXXCTGDUYCU-SOFGYWHQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-053972
C1=CC=C2C(=NN=C2C(=O)NC(CC3=CC=C(C=C3)O)CO)C=C1	PC-id_161253689	323.127	VBPOXYGVNJOGMP-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-053973
C1CCC(CC1)NC2=NC3=C(S2)CCCN(C3=O)CC(=O)O	PC-id_154800947	323.13	BXVDSCPIOXDJSF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-053974
N#CC(=c1cc(Cl)cc2-c(c1)c(=C(C#N)C#N)cc2Cl)C#N	PC-id_101068675	323.136	YLOUHTNQOTXWPE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053975
CCOC(=O)c1c2-c(c(c1O)C=O)ccc(cc2)Br	PC-id_101915787	323.139	IAGKFHUJWTVGPQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053976
C1C2=CC=CN2C=CN=CC=NC=CN=CC=NC=CN1C(=O)N	PC-id_154463655	323.149	CIIXVWPEESLJGR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-053977
P(PP)(P)n1nnc2c1CN(CCC)C(=O)NC2	PC-id_23398284	323.149	SIUDSHYROXLGPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053978
P(PP)(P)n1nnc2NCCN(CCC)C(=O)c12	PC-id_23398335	323.149	OFZPTNCQUVQFKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053979
P(PP)(P)n1nnc2NC(=O)CN(Cc12)CCC	PC-id_23398286	323.149	KBYKTYYAGKUEPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053980
[B][P+](c1ccccc1)(c1ccccc1)c1cc2-c(ccccc2)c1	PC-id_135031064	323.155	GJRWKTBJLWMKKA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-053981
CC1CC(=O)C(=C)/C(=CC=C(/C)C2=CN(N=C2)C)/C3=C(N=NN13)C	PC-id_155043593	323.175	QLRQFVZIHYGHFV-YYDZIKFISA-N	00000000100000000101000000000010000000000000000000000000	31-01-053982
COC(=O)c1c2-c(c(c1O)Br)cccc(c2)C(C)C	PC-id_102009204	323.182	BNCRDVKVGGGFNZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-053983
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CC(=O)OCC	PC-id_155203588	323.185	QRRFFIQSRNYCFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053984
O=c1ccc(Br)cn1Cc1nnc2n1CCCCC2	MCULE-1235688493,PC-id_136580197,EMOLS-id_110955161,ZINC22_408161348	323.188	MOFXXDNSJONMEK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053985
Brc1ccc(nn1)NCc1nnc2n1CCCCC2	EMOLS-id_318733129,MCULE-6347160266	323.192	VEKQUFOSPNWMKY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-053986
Brc1cnc(nc1)NCc1nnc2n1CCCCC2	MCULE-9745135110,EMOLS-id_317917644	323.192	AURCNMYDSQMXSJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-053987
Brc1ncc(nc1)NCc1nnc2n1CCCCC2	EMOLS-id_318729026,MCULE-8640263744	323.192	SPJWHOVUXUERQC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-053988
CC(C)(C)OC(=O)N1CCC2=C(CC1)N(N=C2[Si](C)(C)C)C	PC-id_154685824	323.203	GWZJBVGUSBSGKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053989
O1c2c(OC=CCOC=COC=CC1)c([nH]c2C(=O)O)C(=O)O	PC-id_66616231	323.255	BIDAHZOJRPNPNY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-053990
OC(=O)c1[nH]c(c2c1O/C=CCO/C=CO/C=CCO2)C(=O)O	SCHEMBL182695	323.255	BIDAHZOJRPNPNY-DIHSDVMDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-053991
CCc1cn2c(c1)CN(CCC2)Cc1cc(Cl)cc(c1)Cl	SCHEMBL16100447,PC-id_90461082	323.26	BPNQQZKJXJCPBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-053992
Clc1cc(Cn2cc3C(NC)CCCCc3c2)ccc1Cl	PC-id_83211535	323.26	ZBWZWDNLMGHAPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053993
Clc1c(Cn2cc3C(NC)CCCCc3c2)ccc(Cl)c1	PC-id_83211526	323.26	JYZHOBSKWSOTAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053994
Clc1c(Cn2cc3C(NC)CCCCc3c2)cc(Cl)cc1	PC-id_83210927	323.26	SKXTZFOOSZPMGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053995
Clc1c(Cn2cc3C(NC)CCCCc3c2)c(Cl)ccc1	PC-id_83210033	323.26	ABUKGRFIXPXKLZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053996
CNC1CCCCc2c1cn(c2)Cc1cccc(c1Cl)Cl	PC-id_107307304	323.26	DSYKRBINXMOTFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-053997
S1(=O)(=O)C(F)(F)CCCn2nc(nc12)C(=O)CC(=O)OC	PC-id_82667845	323.273	QPDULHMYVMGCAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-053998
FC(Oc1ccc(nc1)NC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_319381486	323.298	OKIKSSRTEVOLQQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-053999
Brc1ccc2-c(c(c(c2C)O[Si](C)(C)C)C)cc1	PC-id_21063105	323.3	DBAYQMRFTLLVBK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-054000
O=C(c1ccnn1C1CC1(F)F)NC1CCn2c(CC1)nnn2	MCULE-9573239106,EMOLS-id_320202846	323.301	ZWSXZZHFXKIUFR-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-054001
c12cnn(C)c1CCCN(C2)C(=O)c1ccccc1C(F)(F)F	LEG-19035199,PC-id_46955988,ZINC22_19289665,EMOLS-id_360474,CoCoCo_446470,MCULE-7236808399	323.313	HHZSADOEFKJAQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054002
c1(C(=O)Nc2ccccc2C(F)(F)F)c2CCCCCc2[nH]n1	EMOLS-id_335034424,MCULE-7273119792	323.313	PTUZTKGIJWKWHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054003
c1(C(=O)Nc2ccc(cc2)C(F)(F)F)c2CCCCCc2[nH]n1	MCULE-5824096691,EMOLS-id_335020093	323.313	RLNKVXQOWNUPGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054004
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1C(F)(F)F	EMOLS-id_319017451	323.313	ZWLYWYCHQCDTDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054005
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1)C(F)F)F	EMOLS-id_319619881	323.313	PTKKFMYTRBIJLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054006
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)C(F)(F)F	EMOLS-id_320200458,MCULE-4969118525	323.313	UHDMOOVHEIZIDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054007
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)C(F)(F)F	MCULE-8666126838,EMOLS-id_320200696	323.313	JCJFDSYZVILLBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054008
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(ccc1F)C(F)F	MCULE-2796791187,EMOLS-id_320259919	323.313	ABCKYLLZKVINHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054009
C(=O)(Nc1cccc(C(F)(F)F)c1)c1c2CCCCCc2[nH]n1	TIMTEC422618,EMOLS-id_6826281,MCULE-2673603081,PC-id_5301108,ZINC22_4625993	323.313	RFBXEVVUGXBFPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054010
Fc1cc(cc(c1)C(F)F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_320113947,MCULE-5269572950	323.313	BWCGBMJOMVQFEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054011
FC(F)(F)c1cc(C(=O)N2CCCc3n(ncc3C2)C)ccc1	CoCoCo_446471,PC-id_46955989	323.313	HYADQXRAGMZBGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054012
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1c(cccc1F)F	PC-id_90625350	323.318	XCOSIIUFGYCYIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054013
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(c(cc1)F)F	PC-id_90625351	323.318	SOXQBSGVTCATLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054014
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1c(cc(cc1)F)F	PC-id_90625434	323.318	UKYCVEUAOSSPIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054015
O=c1n(CC#N)nc2CCN(CCn12)S(=O)(=O)c1c[nH]cn1	MCULE-1406284603,PC-id_91922487,EMOLS-id_50590073	323.331	DMDOIMKCCMETFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054016
ON=C(C(C(F)(F)F)CSc1nnc2n1CCCCC2)N	PC-id_103371295	323.338	OGKXCBBUINXILA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054017
Cc1cc(C(F)F)n(CC(=O)N2CCCc3c(cnn3C)C2)n1	MCULE-9434755375,PC-id_139021659,EMOLS-id_320401766,ZINC22_1436718451	323.341	DCOBRLNENOPAFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054018
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1nc(cc1C(F)F)C	EMOLS-id_319760008	323.341	XHENNZQLMRACOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054019
C=CCn1c(C(=O)OCC)c2c(c1C(=O)OCC)OCCCO2	PC-id_89105722,SCHEMBL13515154	323.341	OFLFZIKXICZVTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054020
FC(Cn1nc(c(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C)F	MCULE-3907255166,EMOLS-id_320126710	323.341	BTSMOKLCNSSGJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054021
O=C(c1n[nH]c2c1CCCCC2)NCC(n1cccn1)C(F)F	EMOLS-id_319289514	323.341	JCVODBBGLOLNLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054022
Fc1ccccc1NS(=O)(=O)c1cc2C(=O)NCCCn2c1	PC-id_53182788,MCULE-7482230859,EMOLS-id_33086262	323.343	YSGYXNVKPQRKIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054023
Fc1cccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c1	MCULE-3850837576,PC-id_53182807,EMOLS-id_33086342	323.343	CPUZRAUKIQTFAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054024
Fc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)cc1	PC-id_53182789,EMOLS-id_33086264,MCULE-2628818024	323.343	AWOVAAIDPGEEMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054025
CCOC(=O)c1cc2C(=O)N(CCCn2n1)C(=O)OC(C)(C)C	MCULE-4651107905,EMOLS-id_295412871,ZINC22_953019319	323.344	NAJNRDNTRCEUTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054026
c1(ccc(Oc2ccccc2)o1)C(=O)N1CCCn2cncc2C1	EMOLS-id_43129685,MCULE-8963173027,ZINC22_72163834,PC-id_56899864	323.346	PEDWMFPRPPXGBY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-054027
CC1C=Cc2n(C=C1)c(nc2C)C(=O)c1ccc(c(c1)C(=O)O)N	PC-id_144309758	323.346	XDVVCUJMHOTBDA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-054028
Cc1cc(=O)c2c(nc1)oc(c2C(=O)N(C)c1ccc(cc1)N)C	SCHEMBL13962077,PC-id_89210511	323.346	YFTJSMRPZWXJJH-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-054029
COC(=O)c1cc(ccc1N)C(=O)c1ncc2n1C=CC(C=C2)C	PC-id_144309763	323.346	FVTOQEKEYJBXPO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-054030
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CC(CCCCn1cnc2c1NC=NCC2O)(C(=O)N)C(=O)O	PC-id_10496139,BindingDB_PC-id_10496139,CHEMBL288461	323.348	LWIYDZZBJFGEHO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-054034
CCOC(=O)CNC(=O)CCCn1cnc2c1N=CNCC2O	PC-id_19688437,SCHEMBL6619910	323.348	RDEFJYCJGRHASN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-054035
COCc1nc(no1)CN1CCCn2c(cc(n2)C(CO)O)C1	EMOLS-id_55628298,PC-id_91769019,MCULE-9976990628	323.348	BAEDZOODKIBJBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054036
COCc1onc(n1)CN1CCCn2c(C1)cc(n2)[C@H](CO)O	PC-id_99973379	323.348	BAEDZOODKIBJBR-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054037
COCc1onc(n1)CN1CCCn2c(C1)cc(n2)[C@@H](CO)O	PC-id_99973380	323.348	BAEDZOODKIBJBR-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054038
c1(C(=O)N2CCn3c(CC2)nnc3C)cc(on1)c1ccccc1	PC-id_70775383,EMOLS-id_44448153,ZINC22_82147503,MCULE-3213867620	323.349	JRZTZYIDBUUAOI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054039
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)c1nnco1	EMOLS-id_319159546	323.349	WDEBQBGDTUTFNL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054040
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc(n1)c1ccccn1	MCULE-8239749483,EMOLS-id_320113300	323.349	LHYVCEJUKKJYTE-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-054041
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc(n1)c1cccnc1	EMOLS-id_319662764	323.349	DKVSYTYWUNNOMF-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-054042
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1onc(c1)c1ccccn1	MCULE-5767176755,EMOLS-id_320121361	323.349	NRXFYDFTUDBQKS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-054043
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)c1cocn1	EMOLS-id_337804931,ZINC22_2356167753,MCULE-1224858750	323.349	AXINXAZGXNQXOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054044
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O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1c1ncco1	EMOLS-id_320055367,MCULE-6175001636	323.349	AEAIDGXMYBRIFX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054046
O=C(c1cc[nH]n1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575405297	323.349	RGCVVZUVKBIFBW-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054047
O=C(c1cc[nH]n1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575405300	323.349	RGCVVZUVKBIFBW-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054048
O=C(c1ccno1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356156525,EMOLS-id_337793114	323.349	GENYUQBHTYCODH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054049
O=C(c1cnc[nH]1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575406764	323.349	SDZPUDUIMJUNGR-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054050
O=C(c1cnc[nH]1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575406765	323.349	SDZPUDUIMJUNGR-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054051
O=C(N1CC(Cn2cccc2C1)Oc1ccccn1)c1cc[nH]n1	EMOLS-id_55751307	323.349	RGCVVZUVKBIFBW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054052
O=C(N1CC(Cn2cccc2C1)Oc1ccccn1)c1c[nH]cn1	EMOLS-id_55751875	323.349	SDZPUDUIMJUNGR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054053
O=C(Nc1c[nH]nc1c1ccccn1)c1noc2c1CCCCC2	ZINC22_156348916,EMOLS-id_316873302,MCULE-9864552840	323.349	GLSNZICHQKWKDU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-054054
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[O-][N+](=O)c1cc(/C=C(c2n3CCCCCc3nn2)/C#N)ccc1C	PC-id_75362041	323.349	RAGGUWRZHSNLTG-ZROIWOOFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054056
[O-][N+](=O)c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1C	PC-id_8275412	323.349	RAGGUWRZHSNLTG-NTEUORMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054057
c1(C(=O)N2CCn3c(CC2)nnc3C)cn(nn1)c1ccccc1	MCULE-6684115890,EMOLS-id_43106927,PC-id_56894176,ZINC22_72150311	323.352	PWLDBODWOOUISJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054058
c1(C(=O)Nc2ccc(cc2)n2cnnn2)c2CCCCCc2[nH]n1	MCULE-7550273274,EMOLS-id_323249082	323.352	BKCLTFBFXYMWSP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054059
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)n1cnnn1	EMOLS-id_318809691	323.352	NZARVBCOMYSRPQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054060
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)n1cnnn1	EMOLS-id_319204669	323.352	YSCYEQCPFCYUGR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054061
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1n1cnnn1	EMOLS-id_319852801	323.352	QZDMSXHUWGLZOR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054062
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1)n1cncn1	EMOLS-id_319369647	323.352	PFEZWWGZWIVZGI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-054063
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nnn(c1)c1cccnc1	EMOLS-id_319395799	323.352	QKKKCDWDFPAWCZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-054064
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)c1cnn[nH]1	EMOLS-id_337811844,ZINC22_2356169155,MCULE-6690195633	323.352	VDOGAECDKGNNIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054065
n1(cnnn1)C(c1ccccc1)C(=O)N1CCCn2cncc2C1	MCULE-2881753204,PC-id_56903106,EMOLS-id_43139104	323.352	VUDYSQLDBWUCSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054066
O=C(c1c2c(CCCCC2)[nH]n1)Nc1cc(n2nnnc2)ccc1	MCULE-6052030185,EMOLS-id_323255482	323.352	SBCRJLQZYKBHCO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054067
O=C(c1cccnc1)N1CCCn2c(C1)c(nn2)Cn1cccn1	PC-id_97410159	323.352	GMPOPZUKCTWGDR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054068
O=C(c1cccnc1)N1CCCn2c(C1)c(nn2)Cn1cncc1	PC-id_97519615	323.352	ZXGIPWAXLLOQAI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054069
O=C(c1cccnc1)N1CCCn2c(C1)nnc2Cn1cccn1	PC-id_97405604	323.352	CVOJEBSJRYMELE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054070
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(nc1)n1cccn1	MCULE-2288289327,EMOLS-id_320223171	323.352	XVEIGCQQDNVQGH-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-054071
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O=C(c1ccncc1)N1CCCn2c(C1)nnc2Cn1cccn1	PC-id_97405605	323.352	QCTMJJQWMVLTDK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054073
O=C(c1ccncc1)N1CCCn2nnc(Cn3cccn3)c2C1	PC-id_97405549,ZINC22_96084726,EMOLS-id_46182477	323.352	JELDIPWWWAKUJM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054074
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O=C(c1cnccn1)N1CCc2nnc(Cn3cccc3)n2CC1	PC-id_97519958,ZINC22_96259877	323.352	DNCNAPYZHFFJQM-UHFFFAOYSA-N	00000000110000100101000000000010000000000000000000000000	31-01-054079
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Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(nc1)C(F)F	EMOLS-id_319783045	323.361	NMOPVKQLZZFIJP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054085
Fc1cnc(c(c1)F)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111744157	323.361	GVEBXBLEOWRJCH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054086
S(c1n2CCCCCc2nn1)CC(=O)c1cc(F)c(F)cc1	PC-id_7876893	323.361	FRCRYXQEXINDOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054087
S(c1n2CCCCCc2nn1)CC(=O)c1c(F)ccc(F)c1	PC-id_7876993	323.361	IQAYWFKWZPPDTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054088
COCCNC(=O)c1ccc2CCN(CCn12)C(=O)C1(F)CC1	ZINC22_1565546536,EMOLS-id_313777345	323.363	GICVJKPKRNMUMX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-054089
FC(C1CCN(CC1)C(=O)c1noc2c1CCCCC2)C(=O)N	EMOLS-id_279008926	323.363	HBYGYBJJNQOJJI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054090
c1(NC(=O)C=CC(=O)O)sc2c(CCCCC2)c1C(=O)OC	MCULE-5084851083,PC-id_2932066	323.364	DPFGBWHNUMMBNF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054091
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c1(cn2c(C(=O)NCCC2)c1)S(=O)(=O)NCc1ccc(C)o1	EMOLS-id_33086322,MCULE-7866764879,PC-id_53182801	323.367	TUGIOHLWTFJURF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-054097
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O=C(c1csnn1)N1CCCn2cnc(COCCO)c2C1	ZINC22_96085065,PC-id_97405883,EMOLS-id_46183151	323.371	LQIBPCGZNJZRKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054114
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1csnc1N)O	PC-id_99974039	323.371	PAZHKSNHEDDAPS-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-054115
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1csnc1N)O	PC-id_99974040	323.371	PAZHKSNHEDDAPS-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054116
C1Cc2c(CNC1CCCSP(=O)(O)O)nc(s2)N	SCHEMBL7428923,PC-id_88141534	323.372	CCJDFBDGSVQAEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054117
Nc1nc2c(s1)CCN(CC2)CCCSP(=O)(O)O	PC-id_57445609,SCHEMBL5059575	323.372	JAISTUDXGBCXEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054118
N#Cc1cc2n(n1)CCCN(C(=O)c1cccc3ncsc13)C2	ZINC22_2356141909,EMOLS-id_337790749	323.372	VTZKXLQKQKJUQL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054119
CS(=O)(=O)N1CCCn2c(C1)c(CNc1ncccn1)nn2	PC-id_97413602	323.374	BUFZFFGDYDYIOP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054120
CCOC(=O)C1=CN(CCc2c1scc2)C(=O)/C=C/C(F)C	PC-id_142993808	323.382	VHXWXVFGPCFEPL-SNAWJCMRSA-N	00000000100000000110000000000010000000000000000000000000	31-01-054121
c12c(=Nc3ccc(cc3)OC)cccc(OCC)c1c(oc2C)C	CNP0365334,PC-id_804400,MCULE-5957543293	323.386	MOXCDLJMGPNTSQ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-054122
c12c(=Nc3cccc(OC)c3)cccc(OCC)c1c(oc2C)C	CNP0224392,MCULE-3906428135,PC-id_782392	323.386	KEHBIVZDJUBBTC-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-054123
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cccc(c1C)F	MCULE-7595112336,EMOLS-id_320163810	323.386	GELADVPOBLEYHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054124
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(cc1F)C	EMOLS-id_319410822	323.386	MCVZJUJWDACMDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054125
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cccc(c1F)C	EMOLS-id_320185869,MCULE-3270535323	323.386	TUVXDVJTTHWMPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054126
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(c(c1)F)C	MCULE-3786496951,EMOLS-id_320199009	323.386	MZEKOYHLVBAPRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054127
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cc(C)cc(c1)F	EMOLS-id_319001817	323.386	BCTUZYKKVBXNBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054128
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1c(C)cccc1F	EMOLS-id_319351110	323.386	ZALHXYHZRDVFAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054129
Cc1ccc(cc1F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948352	323.386	CLBBBNYAKGNWFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054130
Cc1ccc(c(c1)F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948469	323.386	ODGUBXDXZCPQMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054131
Cc1cccc(c1F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950746	323.386	SBQRZRNHSADCKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054132
Cc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101948358	323.386	QYVDMKJLFHKERW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054133
Cc1cc(F)cc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948580	323.386	QZGLZGMLLXESSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054134
CCOc1ccc/c(=N/c2ccc(cc2)OC)/c2c1c(C)oc2C	CoCoCo_146908	323.386	MOXCDLJMGPNTSQ-FXBPSFAMSA-N	00000000100000110110000000000010000000000000000000000000	31-01-054135
CCOc1ccc/c(=N/c2cccc(c2)OC)/c2c1c(C)oc2C	CoCoCo_6900857	323.386	KEHBIVZDJUBBTC-FXBPSFAMSA-N	00000000100000110110000000000010000000000000000000000000	31-01-054136
CCOc1ccc/c(=Nc2ccc(cc2)OC)/c2c1c(C)oc2C	ZINC22_12658262,EMOLS-id_1289115,CoCoCo_146907,STOCK1N-15577	323.386	MOXCDLJMGPNTSQ-HEHNFIMWSA-N	00000000100000110110000000000010000000000000000000000000	31-01-054137
CCOc1ccc/c(=Nc2cccc(c2)OC)/c2c1c(C)oc2C	ZINC22_12658271,EMOLS-id_4789263,CoCoCo_6900856,STOCK1N-15674	323.386	KEHBIVZDJUBBTC-HEHNFIMWSA-N	00000000100000110110000000000010000000000000000000000000	31-01-054138
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1c(C)cccc1F	EMOLS-id_101950830	323.386	OACMAFRDOHZLSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054139
Fc1ccc(cc1)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946081	323.386	OEGBIBQPWSRBQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054140
Fc1ccccc1CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948439	323.386	VSXJAYLXSDZFDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054141
Fc1ccc(cc1C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948472	323.386	YZUHFCPTJVHTPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054142
Fc1cccc(c1)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948493	323.386	RPUBJPZKCHPPCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054143
Fc1cccc(c1C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948583	323.386	MCACOQNHABWRHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054144
Fc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101948364	323.386	LCHCMHJIYMGSIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054145
c12CN(CCCn1nc(CCC(=O)O)c2)C(CCCC)C(=O)O	EMOLS-id_43163432,MCULE-6799423308,PC-id_56911301	323.387	FNEKQMQAGMEZKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054146
CC1CN(C(=O)OC(C)(C)C)c2n(C(C1)(C)C)nc(c2)C(=O)O	PC-id_138502409,SCHEMBL20852266	323.387	CNPXBTXEYYQOLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054147
CCCC[C@@H](C(=O)O)N1CCCn2nc(CCC(=O)O)cc2C1	PC-id_95894552,ZINC22_72474874	323.387	FNEKQMQAGMEZKN-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054148
CCCC[C@H](C(=O)O)N1CCCn2nc(CCC(=O)O)cc2C1	ZINC22_72474875,PC-id_95894553	323.387	FNEKQMQAGMEZKN-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054149
CCOC(=O)[C@H]1CN([C@H](C)c2ccnn2C1)C(=O)OC(C)(C)C	EMOLS-id_295412812,MCULE-8117744124	323.387	CPUAMPLLDWNZDG-NEPJUHHUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054150
CCOC(=O)[C@@H]1CN([C@@H](C)c2ccnn2C1)C(=O)OC(C)(C)C	EMOLS-id_56771484	323.387	CPUAMPLLDWNZDG-NWDGAFQWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054151
CCOC(=O)[C@@H]1CN([C@H](C)c2ccnn2C1)C(=O)OC(C)(C)C	MCULE-6318597286,EMOLS-id_295412815	323.387	CPUAMPLLDWNZDG-VXGBXAGGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054152
COC1(OC)CCN(CC1O)C(=O)c1cnc2n1CCCCC2	EMOLS-id_318196855	323.387	IUJOKICTNLZBBQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054153
COC1(OC)CCN(CC1O)C(=O)c1n[nH]c2c1CCCCC2	MCULE-5565211881,EMOLS-id_316424536	323.387	WIWPIAGFGDYSJR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054154
COC1(OC)CCOCC1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_319575526	323.387	QWVCXCSQDFDTJV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054155
COC1(OC)CCOCC1NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_316735178	323.387	NKBNANHWPTWCPT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054156
CCOC1CN(Cc2cccn2C1)C(=O)c1cc2ccccc2[nH]1	EMOLS-id_55748377	323.389	CRJKHKHWAGQCDD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054178
OCC1(COCCN1C)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_318909494	323.387	IDNZZMDLVRYVAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054157
OC([C@H]1COC(O1)(C)C)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_319611310	323.387	IULAQNBJFAANQD-ZGTCLIOFSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054158
O(C(=O)c1c2c([nH]c1)CCCN=C2NCC(OC)OC)CCC	PC-id_20605699	323.387	QACSZVGGWYHDFS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-054159
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)N	PC-id_7112368	323.387	QBPWLJAMBZVDIM-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-054160
s1c2c(CCCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)N	PC-id_40558880	323.387	LCPAXGIORDOMBU-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-054161
c1(c(C)c2c(cc(cc2)C)o1)C(=O)N1CCCn2nc(C)cc2C1	MCULE-7822152664,PC-id_70728589,EMOLS-id_44712115,ZINC22_91519170	323.389	JXTYZQWCKATIRG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054162
c1ccc(CCc2noc(CN3CCCc4occc4C3)n2)cc1	EMOLS-id_177244226,MCULE-8767029758,ZINC22_367300424	323.389	MWGNNDSUPFQARE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054163
c1ccc(CO[C@H]2CN(Cc3ccoc3)Cc3cccn3C2)nc1	ZINC22_247959812	323.389	NWZJRUHUQUNOEP-IBGZPJMESA-N	00000000101000101101000000000010000000000000000000000000	31-01-054164
c1ccc(CO[C@@H]2CN(Cc3ccoc3)Cc3cccn3C2)nc1	ZINC22_247959814	323.389	NWZJRUHUQUNOEP-LJQANCHMSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054165
c1(C(=O)NCCc2c3ccccc3[nH]c2)c2CCCCCc2on1	EMOLS-id_20815055,ZINC22_20533805,MCULE-1361961938,TIMTEC536056,STOCK1N-73376,PC-id_17254381,CNP0396026	323.389	WVUSDFBHURBDTQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054166
Cc1cccc2nc(CCC(=O)N3CCCc4occc4C3)[nH]c12	MCULE-2523825857,EMOLS-id_177243862,ZINC22_367965040	323.389	YCUORIPAYYQTCA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054167
Cc1cccc2oc(C(=O)N3Cc4c[nH]nc4CC(C)(C)C3)cc12	ZINC22_826800558,MCULE-8366508585,PC-id_136565590,EMOLS-id_316960698	323.389	FPLHWYLAPUCQRN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054168
Cc1ccc(cc1)c1nnc(o1)C(N1CCCc2c(C1)cco2)C	EMOLS-id_99341914	323.389	CUDSEWQBODVQRH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054169
Cc1ccccc1Cc1noc(CN2CCCc3occc3C2)n1	MCULE-9900034320,ZINC22_288926612,EMOLS-id_177263444	323.389	VMQOULYJVAJPCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054170
Cc1cc(/C=N/N2CC(=O)NC2=O)c2-c1cc(ccc2C)C(C)C	CoCoCo_4009323,PC-id_9790207,ZINC22_8217445	323.389	HSYMGPVUMOZCCY-AWQFTUOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-054171
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc2c1cc(C)c(c2)C	EMOLS-id_319431602	323.389	XYKJJDXXUYRBRB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054172
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1cc2c(o1)cccc2)C	EMOLS-id_320055537,MCULE-1354347159	323.389	BVEPRKDOGGYQHT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054173
CCc1ccc2c(c1)c(co2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678240	323.389	YJLXRPWOBHGSMS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054174
CCc1c(oc2c1cccc2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678375	323.389	LJUYOEIJPCHZFX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054175
CC(C)(O)C#Cc1ccc(cc1)C(=O)N1CCCn2cncc2C1	MCULE-8944922934,EMOLS-id_43179885,PC-id_56916963,ZINC22_72172505	323.389	CXMIIVJVUWTRNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054176
CC(N1CCCc2c(C1)cco2)c1onc(n1)c1ccccc1C	EMOLS-id_99341929	323.389	PNOXXRFKNQBKLI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054177
CCO[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2cccn2C1	ZINC22_575402609	323.389	CRJKHKHWAGQCDD-INIZCTEOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054179
CCO[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2cccn2C1	ZINC22_575402610	323.389	CRJKHKHWAGQCDD-MRXNPFEDSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054180
C(OC1CN(Cc2ccoc2)Cc2cccn2C1)c1ccccn1	EMOLS-id_50011592	323.389	NWZJRUHUQUNOEP-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054181
n1c(CNC(=O)c2cccc3C(=O)CCc23)c2c(CCCCC2)[nH]1	EMOLS-id_222765334,MCULE-3124821044,ZINC22_670448448	323.389	SRMJOMQBPGKMPK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054182
O=C1CC(C1)(c1ccccc1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678294	323.389	VYKQXENPIAQQIO-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-054183
O=C1CN(C(=O)N1)/N=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	CoCoCo_4009324	323.389	HSYMGPVUMOZCCY-UKWGHVSLSA-N	00000010100000000111000000000010000000000000000000000000	31-01-054184
O=C1CN(C(=O)N1)N=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_72069362,EMOLS-id_26203711,MCULE-8052230191	323.389	HSYMGPVUMOZCCY-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-054185
O=C(C1CC1)c1ccc(C(=O)N2CCCc3[nH]cnc3CC2)cc1	PC-id_20803099	323.389	KNNALZCKDCIMQY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-054186
O=C(C1=CCCC1)N1Cc2cccn2C[C@@H](Oc2cccnc2)C1	ZINC22_306129681	323.389	IJNUHLJBSGALPP-GOSISDBHSA-N	00000011100000101101000000000010000000000000000000000000	31-01-054187
O=C(C1=CCCC1)N1Cc2cccn2C[C@H](Oc2cccnc2)C1	ZINC22_306129682	323.389	IJNUHLJBSGALPP-SFHVURJKSA-N	00000011100000101101000000000010000000000000000000000000	31-01-054188
O=C(c1coc2c1cc(C)c(c2)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101676503	323.389	MWPBJXOFVJLNBV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054189
O=C(c1oc2c(c1)cc(c(c2)C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101673047	323.389	PEOKIYYXNFXNBK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054190
O=C(c1oc2c(c1C)cccc2C)N1CCCc2c(C1)cnn2C	EMOLS-id_101670182	323.389	KKWIBMZYJYGQPP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054191
O=C(N1CC(Cn2cccc2C1)Oc1cccnc1)C1=CCCC1	EMOLS-id_50013722	323.389	IJNUHLJBSGALPP-UHFFFAOYSA-N	00000011100000101101000000000010000000000000000000000000	31-01-054192
c12CN(CCCn1nc(CCC(=O)NCCO)c2)C(C)C(=O)N	PC-id_70773848,EMOLS-id_44447585,MCULE-6587478560	323.391	YDXROMXGQOVGHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054193
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1ccccc1	PC-id_90625583	323.391	MZHDFRRBSIAQDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054194
C[C@@H](C(=O)N)N1CCCn2nc(CCC(=O)NCCO)cc2C1	PC-id_96580002,ZINC22_82146421	323.391	YDXROMXGQOVGHM-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-054195
C[C@H](C(=O)N)N1CCCn2nc(CCC(=O)NCCO)cc2C1	PC-id_96580003,ZINC22_82146422	323.391	YDXROMXGQOVGHM-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054196
CCOC1CC(C1OC)NC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-6006959540,EMOLS-id_320032926	323.391	NTZQEPDHBOJCJV-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-054197
CCOC1COCCC1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320041959,MCULE-7333732616	323.391	IFHVCUCHHPODQH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054198
CCOCC(=O)N1CCCn2c(CN3CCOCC3)nnc2C1	EMOLS-id_44370954,ZINC22_96259704,PC-id_97519786	323.391	PSFDGAZJSXESEO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054199
CN(C1CCc2nn(C)c(=O)n2CC1)C(=O)CN1CCOCC1	PC-id_91922706,EMOLS-id_50590538	323.391	IYDMHIAWPBHUAP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054200
CNC(=O)CN1CCCn2c(C1)c(COCC(=O)N(C)C)nc2	PC-id_97410189	323.391	GGWHZLXLBIBXCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054201
COCCCNC(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922472,EMOLS-id_50585795	323.391	KAFOXKXOGXOJDH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-054202
COCCC(=O)N1CCCn2c(C1)nnc2CN1CCOCC1	PC-id_97519785	323.391	UNKIESDPCJNYBY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054203
OC[C@@H]1COCCN1C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_258169020,MCULE-9689638279	323.391	ONTAUFCREQKRKZ-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054204
OCC(=O)N1CCCn2nnc(COCCN3CCCC3)c2C1	PC-id_97405211,EMOLS-id_46181777,ZINC22_96084384	323.391	TYHYNRKOXOFKDN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054205
O[C@@H]1COC[C@H]1N(C(=O)NCCc1nnc2n1CCCCC2)C	MCULE-6220400004,EMOLS-id_98964290	323.391	PVRNPEFMYCFJII-VXGBXAGGSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054206
O=C(NCC1OCCOC1)NCCc1nnc2n1CCCCC2	EMOLS-id_98086390	323.391	OVHOOGHIGAPMIX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054207
O(C(=O)N1CCCn2nc(cc2C1)C(=O)NCCN(C)C)CC	PC-id_50985257	323.391	MLGYUKNFFXHCJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054208
O=S(=O)(c1cnc2n1ccs2)N1CCCc2c(C1)cco2	EMOLS-id_318772653	323.391	QEVJDKAXLDAVLA-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-054209
c12CN(CCCn1nc(C#N)c2)CC(=O)NCc1ccccc1C	EMOLS-id_222758337,MCULE-4571066694,ZINC22_670441062	323.392	YDFFNTHIWBJICU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054210
c12C(=O)NCC(C)(C)Cc1[nH]c(CCn1c3ccccc3cn1)n2	EMOLS-id_46617474,ZINC22_95365989,MCULE-4867120175,PC-id_72873435	323.392	MXQBZACVPSPTMR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054211
c1ccc(NCc2cnc3n2CCN(Cc2ccco2)CC3)nc1	PC-id_97467245,EMOLS-id_44329125,ZINC22_96197102	323.392	SZXOXEJVIHOXFA-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054212
c1ccc(NCc2cnc3n2CCN(Cc2ccoc2)CC3)nc1	PC-id_97467247,EMOLS-id_44329129,ZINC22_96197104	323.392	FUYPLSPXIQOYNS-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054213
c1ccc(OC[C@@H]2CCn3cncc3CN2Cc2cn[nH]c2)cc1	ZINC22_585098043	323.392	SQRHIFJXXLMHKC-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054214
c1ccc(OC[C@H]2CCn3cncc3CN2Cc2cn[nH]c2)cc1	ZINC22_585098046	323.392	SQRHIFJXXLMHKC-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054215
c1(CN(C)C(=O)c2ccn3c(ccn3)c2)c2CCCCCc2[nH]n1	PC-id_154821655,EMOLS-id_324277893,MCULE-9606943192,ZINC22_1857729553	323.392	PFOPECWVQVYTGD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054216
c1(C(=O)Nc2ccc3c(c2)nc([nH]3)CC)c2CCCCCc2[nH]n1	EMOLS-id_323252924,MCULE-9737072049	323.392	AQRRNGVUDLMHJE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054217
c1(C(=O)Nc2ccc3c(c2)[nH]c(n3)C)c2CCCCCCc2[nH]n1	EMOLS-id_46576509,MCULE-7820871636,ZINC22_257246274,BDD-25323803,PC-id_110089362	323.392	ITKJLJRVFMBSGD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054218
c1(C(=O)NCc2c3CCCCCc3[nH]n2)c2ccccc2n(C)n1	ZINC22_670449226,MCULE-4807152743	323.392	KWTVBEWQCRTILI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054219
c1(C(=O)NCc2c3CCCCCc3[nH]n2)cnn2cc(C)ccc12	ZINC22_1772703568,PC-id_137334704,EMOLS-id_317508214,MCULE-7342364260	323.392	YEBMNPOCUXSKQJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054220
c1(C(=O)NCc2n(C)c3c(cccc3)n2)c2CCCCCc2n[nH]1	STOCK7S-45860,MCULE-1425758925,PC-id_75357145,EMOLS-id_50400188,EMOLS-id_49246242,ZINC22_96223943	323.392	ZPZKWYHCGLZOEY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054221
c1(C(=O)NCCc2[nH]c3c(cccc3)n2)c2CCCCCc2n[nH]1	EMOLS-id_49249233,EMOLS-id_50401641,ZINC22_96232180,STOCK7S-47411,MCULE-9300946134,PC-id_75490427	323.392	FFMRTDZMSQRNON-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054222
c1(C(=O)NC(C)c2[nH]c3c(cccc3)n2)c2CCCCCc2n[nH]1	EMOLS-id_50401134,MCULE-4724839146,PC-id_86206977,EMOLS-id_301031217	323.392	VNAWIHYKYQKXIO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054223
c1(C(=O)NCCn2c3ccccc3nc2)c2CCCCCc2n[nH]1	STOCK7S-45453,ZINC22_96223148,MCULE-8474032353,EMOLS-id_50402178,PC-id_75488770,EMOLS-id_49245451	323.392	YSDFIYVRTGHYLB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054224
Cc1cccc2nc(CNC(=O)[C@H]3CCc4nccn4CC3)cn12	ZINC22_2325805494	323.392	NLWJUNLGBGBQBB-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054225
Cc1cccc2nc(CNC(=O)[C@@H]3CCc4nccn4CC3)cn12	ZINC22_2325805495	323.392	NLWJUNLGBGBQBB-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054226
Cc1ccc(n2ccn(Cc3nnc4n3CCCCC4)c2=O)cc1	EMOLS-id_316980597,ZINC22_952880887,MCULE-6999401416	323.392	DRMCLDODBCYVHC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054227
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)n(C)c(n2)C	EMOLS-id_319920235,MCULE-2991337258	323.392	WMQYNMQICKDMKC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054228
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ccc2c1cccc2N	EMOLS-id_318803553	323.392	ARJQMPIJWSCKGG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054229
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(n1cnc2c1cccc2)C	EMOLS-id_319923441,MCULE-4434557782	323.392	QRVYEDUPSHGEOQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054230
CC1CN(CCc2onc(n2)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_320151605,MCULE-7463358816	323.392	FJUOBTOHEUCZEL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054231
Cc1nc2ccccc2n1CCC(=O)N1CCCn2cncc2C1	PC-id_56895787,MCULE-2051713153,EMOLS-id_43113495,ZINC22_72153719	323.392	DIZOXZORWGTDDM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054232
Cc1nnc2CCC(CCn12)NC(=O)Cc1c[nH]c2ccccc12	MCULE-7578849522,EMOLS-id_50590179,PC-id_91910721	323.392	XKNOLVQLBZUJIW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054233
Cc1nnc2n1CCN(C(=O)CCc1c[nH]c3ccccc13)CC2	CoCoCo_1143482,EMOLS-id_20408828,MCULE-4660305755,ZINC22_12056788,PC-id_42383110	323.392	ZYNIXSULEWEFJN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054234
CCC1Cc2[nH]c(nc2CCN1C(=O)c1ccc2c(c1)[nH]cn2)C	SCHEMBL18408303	323.392	OMCBLVZGGXGXTQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054235
CCCC1N(CCCn2c1ncc2)C(=O)c1nc2n(c1)cccc2	EMOLS-id_55717278,MCULE-4199479904	323.392	RDZPVWUHAKFFCT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054236
CC(C)C1N(CCCn2ccnc12)C(=O)c1cn2ccccc2n1	MCULE-4235617299,EMOLS-id_97012462	323.392	MDXAELCZSVLSNQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054237
C[C@@H]1Cc2n[nH]cc2CN(CCc2nc(c3ccccc3)no2)C1	ZINC22_1620582283	323.392	FJUOBTOHEUCZEL-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054238
C[C@H]1Cc2n[nH]cc2CN(CCc2nc(c3ccccc3)no2)C1	ZINC22_1620582284	323.392	FJUOBTOHEUCZEL-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054239
C[C@@H](c1nc2c([nH]1)cccc2)NC(=O)c1n[nH]c2c1CCCCC2	STOCK7S-46718,PC-id_75489833,ZINC22_96231414,MCULE-6140846657,EMOLS-id_49247891	323.392	VNAWIHYKYQKXIO-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-054240
C[C@@H](NC(=O)c1n[nH]c2c1CCCCC2)c1nc2ccccc2[nH]1	ZINC22_190041165,PC-id_99829768	323.392	VNAWIHYKYQKXIO-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054241
CCN(C(=O)C1CCn2c(CC1)nnc2)c1ccc2c(c1)cc[nH]2	EMOLS-id_316473756	323.392	UOQTYHJYDCZGCT-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054242
Cn1cc(C(=O)NCc2nnc3n2CCCCC3)c2ccccc12	ZINC22_25667499,MCULE-4613094572,PC-id_24676675,CoCoCo_4625760	323.392	VWIJXFOQNLTGQR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054243
Cn1cnc2cc(ccc12)C(=O)NCc1n[nH]c2CCCCCc12	ZINC22_670436549,EMOLS-id_222753347,MCULE-7824016378	323.392	XGTQHYMCVLEDME-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054244
CN(C1CCc2nnc(C)n2CC1)C(=O)c1ccc2[nH]ccc2c1	PC-id_91910785,EMOLS-id_50590429,MCULE-6215410123	323.392	JFLPCAATLCPUQW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054245
CN(Cc1ccc2cc[nH]c2c1)C(=O)[C@H]1CNCc2nccn2C1	ZINC22_2325780093	323.392	HBVQTQLWKCJWPD-HNNXBMFYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054246
CN(Cc1ccc2cc[nH]c2c1)C(=O)[C@@H]1CNCc2nccn2C1	ZINC22_2325780094	323.392	HBVQTQLWKCJWPD-OAHLLOKOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054247
CN(C)CC1CN(Cc2nccn2C1)C(=O)c1ccc(cc1)C#N	EMOLS-id_44326099	323.392	YOYRSSAMGLFVKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054248
CN(C)C[C@H]1CN(C(=O)c2ccc(C#N)cc2)Cc2nccn2C1	PC-id_97462703,ZINC22_96188260	323.392	YOYRSSAMGLFVKM-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054249
CN(C)C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)Cc2nccn2C1	PC-id_97462704,ZINC22_96188261	323.392	YOYRSSAMGLFVKM-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054250
C(Oc1ccccc1)C1CCn2cncc2CN1Cc1cn[nH]c1	EMOLS-id_313816357	323.392	SQRHIFJXXLMHKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054251
n1[nH]c2c(cccc2)c1CC(=O)NCc1c2CCCCCc2[nH]n1	EMOLS-id_232893429,ZINC22_827857618,MCULE-3621763242	323.392	FDYKWWILCKNRCI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054252
N#Cc1ccc(cc1)C(NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101723937	323.392	BUJXZKMOVAJIPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054253
N#Cc1cccc(c1)C(=O)N1CCn2c(CC1)ncc2CN(C)C	PC-id_97390176	323.392	FZTQYPLNVFMUEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054254
N#Cc1ccc(cc1)C(=O)N1CCn2c(CC1)ncc2CN(C)C	PC-id_97466954	323.392	DLWBMIZTOZBWPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054255
N#Cc1cc(cc(c1)N(C)C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678330	323.392	RIHAJNLTJKLSHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054256
N#Cc1ccccc1NC(=O)CCN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318816931	323.392	OXLUMPWYFFMRAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054257
N#Cc1cccc(c1)NC(=O)CCN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318902121	323.392	SMXQRHHOIXIFJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054258
N#Cc1cccc(c1)NC(=O)C(N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319005702	323.392	SGQFZWXGHOWRFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054259
N#Cc1ccc(OCC2CN(CC3CC3)Cc3cncn3C2)nc1	EMOLS-id_49232865	323.392	RLLNHWCOVGLYMV-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-054260
N#Cc1ccc(OC[C@H]2CN(CC3CC3)Cc3cncn3C2)nc1	ZINC22_96209167,PC-id_97477294	323.392	RLLNHWCOVGLYMV-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-054261
N#Cc1ccc(OC[C@@H]2CN(CC3CC3)Cc3cncn3C2)nc1	ZINC22_96209168,PC-id_97477295	323.392	RLLNHWCOVGLYMV-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-054262
N#CCc1ccccc1C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319325272	323.392	DICNTPKSXIDQDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054263
O=C(C1CCc2n(CC1)cnn2)NCCc1cc2c([nH]1)cccc2	EMOLS-id_316651351	323.392	FDBHSPIKQNVIGP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054264
O=C(c1cccc2c1ncn2C)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319845422	323.392	VXTDMEFIQXGCAL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054265
O=C(c1cccc2n1ncc2)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_318960099	323.392	DXQGBJHKOCGXBD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054266
O=C(C1CCn2c(CC1)nnc2)NCCc1c[nH]c2c1cccc2	EMOLS-id_319118480	323.392	VHZUTHZRUUAQLP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054267
O=C(Cc1c[nH]c2ccccc12)NCc1nnc2n1CCCCC2	ZINC22_46729673,MCULE-6791212692,PC-id_46447137,EMOLS-id_30687716	323.392	QSJLQPHTXKHHJW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054268
O=C(C(n1cnc2c1cccc2)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101670025	323.392	UQHWAIWNYRYBHS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054269
O=C(N1CCCc2c(C1)cnn2C)Cc1nn(c2c1cccc2)C	EMOLS-id_102180132	323.392	FDDLKLBIBLKFLN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054270
O=C(N1CCCc2c(C1)cnn2C)Cn1ccc2c1cccc2N	MCULE-4440928350,EMOLS-id_320276524	323.392	ZFDFNBQNAMKZJF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054271
O=C(N1CCCc2c(C1)cnn2C)Nc1cc2[nH]ccc2cc1C	EMOLS-id_101851105	323.392	FXVHKCRQIODLSA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054272
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)n(C)cc2	EMOLS-id_101947641	323.392	YRQDLPPAVCTMMY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054273
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc2c1n(C)cc2	EMOLS-id_101858221	323.392	WTTHJKIJWJOZPX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054274
O=C(NCc1n2CCCCCc2nn1)c1c2c([nH]c1C)cccc2	PC-id_24676711	323.392	VNBIKGVPMOTQII-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054275
O=C(NCCc1n2CCCCCc2nn1)c1cc2[nH]ccc2cc1	PC-id_52184001	323.392	GBRAWJSKSDTSMI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054276
O=C(NCCc1nnc2n1CCCCC2)c1cc2ccccc2[nH]1	EMOLS-id_48210993,PC-id_75402619,ZINC22_42763393,MCULE-6830451261	323.392	XYAWUOAGTDJJMP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054277
CN(C(=O)NC1CCn2c(CC1)nnn2)CCN1CCOCC1	EMOLS-id_319615602	323.394	CIJGIUNWTPCBHZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054278
N#Cc1scc(c1)CS(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320187923,MCULE-8561319265	323.394	PPPNMMFZGUASSG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-054279
c1ccc(cn1)C(c1[nH]ccn1)NCc1nnc2n1CCCCC2	PC-id_145894071,EMOLS-id_320390197,MCULE-8759632997	323.396	HJGVWBDYYWLGKL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054280
c1cncc([C@H](NCc2nnc3n2CCCCC3)c2ncc[nH]2)c1	ZINC22_1339657642	323.396	HJGVWBDYYWLGKL-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054281
c1cncc([C@@H](NCc2nnc3n2CCCCC3)c2ncc[nH]2)c1	ZINC22_1339657645	323.396	HJGVWBDYYWLGKL-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054282
Cc1cccc(CN2Cc3nccn3C[C@H](Cn3cncn3)C2)n1	PC-id_97367690,ZINC22_96044177	323.396	HRTAABFRCAJNII-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054283
Cc1cccc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)n1	PC-id_97367691,ZINC22_96044178	323.396	HRTAABFRCAJNII-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054284
Cc1cccc(CN2CCc3ncc(Cn4cncn4)n3CC2)n1	EMOLS-id_44328913,PC-id_97467135,ZINC22_96196991	323.396	ZEFPKBFJJADEEP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054285
Cc1cccc(CN2CCc3nnc(Cn4cccn4)n3CC2)n1	PC-id_97519963,ZINC22_96259882,EMOLS-id_44371302	323.396	QDMIAHAJXLHVMA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054286
Cc1cccc(CN2CCCn3c(Cn4cccn4)nnc3C2)n1	PC-id_97519742,CHEMBL3554695	323.396	WJPZPADFCMTFTC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054287
Cc1cccc(CN2CC(Cn3cncn3)Cn3ccnc3C2)n1	EMOLS-id_46128727	323.396	HRTAABFRCAJNII-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054288
Cc1cccc(n1)CN1CCCn2c(C1)c(nn2)Cn1cccn1	PC-id_97519632	323.396	FWOVHWRABWYKBP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054289
Cc1cccc(n1)CN1CCCn2c(C1)c(nn2)Cn1cncc1	PC-id_97405539	323.396	QWMBPUAPNAHLHT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054290
CC1CN(Cc2c(C1)[nH]nc2)Cc1nnnn1Cc1ccccc1	EMOLS-id_320276093,MCULE-6948742609	323.396	BJEFGEYBDMKXPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054291
CC1CN(CCc2nnnn2c2ccccc2)Cc2c(C1)[nH]nc2	MCULE-7440403891,EMOLS-id_320334373	323.396	STAKIMVLSXMAMV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054292
FC(F)c1ccc(CSCc2nnc3n2CCCCC3)cc1	ZINC22_241634578,MCULE-1897163697,PC-id_119050359,EMOLS-id_75982329	323.404	PNNXVHQLCLZEEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054293
C=CCOCC(C(=O)O)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_72616907,PC-id_121953989,MCULE-7457391160	323.407	QBXCFBUNGOKPRO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054294
C[C@@H]1CN(CC(O1)C(=O)O)C(=O)c1cc2c(s1)CCCCC2	PC-id_120246027	323.407	GIJHRBMQBOJRFI-RWANSRKNSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054295
CCOC(=O)c1c(NC(=O)CC(=O)C)sc2c1CCCCC2	PC-id_145966958	323.407	RMUYLFGQURTKHC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054296
COC1CN(C(C1)C(=O)O)C(=O)c1cc2c(s1)CCCCC2	PC-id_120235834	323.407	WNZPWVNERJFJAE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-054297
COC(=O)[C@@]1(C[C@H](C1)O)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_319784119	323.407	AFSDTERBQXUEEV-AITUWYQGSA-N	00001000100000000100000000000010000000000000000000000000	31-01-054298
COC(=O)C1OCCN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_110200816	323.407	IFKIDLGIZZRIGU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054299
COC(=O)C(=C)CCC(=O)N1CCCCc2c1oc(c2)SC	PC-id_101081791	323.407	NYFMPQMIPQZTRB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054300
COC(=O)C/C=C/CC(=O)N1CCCCc2c1oc(c2)SC	PC-id_101747307	323.407	MLLDMAJVCAVHBR-ONEGZZNKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054301
CSCCc1n(cc2c1OC(=O)CC(CC2=O)(C)C)C(=O)C	PC-id_100954351	323.407	ZAPSAISTZURTIV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054302
O=C(c1cc2c(s1)CCCCC2)N1CCC(O)(C(=O)O)CC1	PC-id_119251255,MCULE-9960261831,ZINC22_262793310,EMOLS-id_72276599	323.407	OLSRBKAGIJIUHH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-054303
O=C(c1cc2c(s1)CCCCC2)NC1(CCOCC1)C(=O)O	MCULE-3934838732,EMOLS-id_71420679,PC-id_121650149	323.407	XLRMULFKCJMDHT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-054304
O=C(c1sc2c(c1)CCCCCC2)N1CCOC(C1)C(=O)O	PC-id_119238726,EMOLS-id_51378845,MCULE-9679310992	323.407	KLWBICYOYOLZSG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054305
O=C(c1sc2c(c1)CCCCCC2)NC1(CCOC1)C(=O)O	PC-id_120217936	323.407	KRKKYEFSZONILJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-054306
O=C(N1CCCC(C1)(O)C(=O)O)c1cc2c(s1)CCCCC2	EMOLS-id_320286282,MCULE-6559572277	323.407	DLQPWHYIFWMLCE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-054307
O=C(N1CCOC(C1)(C)C(=O)O)c1cc2c(s1)CCCCC2	EMOLS-id_316528501	323.407	BYORHXMNFFZIIK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054308
O=C(N1CCOCC1C(=O)O)c1sc2c(c1)CCCCCC2	EMOLS-id_51869466,MCULE-7510560442,PC-id_119215866	323.407	FXDGUFDNTLBGRB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054309
OC(=O)CC1(COCC1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_72479350,MCULE-5257118124,PC-id_121883620	323.407	NXEIEZRDCIIFQN-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-054310
OC(=O)CC1COCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_121620068	323.407	AIBRGDODEDCPFL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054311
OC(=O)CC1OCCN(C1)C(=O)c1cc2c(s1)CCCCC2	MCULE-5478011284,EMOLS-id_51922509,PC-id_119248117	323.407	XGSXLEPWYONTAH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054312
O=C(O)C[C@H]1CN(C(=O)c2cc3c(s2)CCCCC3)CCO1	ZINC22_238058666	323.407	XGSXLEPWYONTAH-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054313
O=C(O)C[C@@H]1CN(C(=O)c2cc3c(s2)CCCCC3)CCO1	ZINC22_238198316	323.407	XGSXLEPWYONTAH-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054314
s1c2c(CCCCC2)c(c1NC(=O)C1OCCC1)C(=O)OC	PC-id_4364132	323.407	FBKLQPPLGYWNDD-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-054315
S(c1c2C(=O)CC(CC(=O)c2[nH]c1C(=O)OCC)(C)C)CC	PC-id_72546727	323.407	SCOSCGBBBZCSKL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054316
CC(C)N(C)Cc1nnc2CN(CCCn12)C(=O)C1(F)CCC1	EMOLS-id_313731798,ZINC22_1565546276	323.409	XKYGEEYMVOKLIV-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-054317
CS(=O)(=O)N/C=C(/c1ccc2-c1ccccc2)c1ccccc1	PC-id_102367280	323.409	ZRPUAPSFSJOLMY-XMHGGMMESA-N	00000010100000110110000000000010000000000000000000000000	31-01-054318
CS(=O)(=O)NC=C(c1ccc2-c1ccccc2)c1ccccc1	PC-id_142734096	323.409	ZRPUAPSFSJOLMY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-054319
c1(C(=O)OC)cc2n(CCCN(C(=O)C(C)SCC=C)C2)n1	MCULE-7667465820,PC-id_50970882,EMOLS-id_32411196	323.411	IBQLKVDWNDISRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054320
c1(NC(=O)CCC(=O)N2CC(C2)O)sc2c(CCCCC2)n1	MCULE-6930331940,EMOLS-id_334704793	323.411	GPMMXKQZKSWZJP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-054321
C=CCS[C@@H](C)C(=O)N1CCCn2nc(C(=O)OC)cc2C1	PC-id_95132500,ZINC22_65431976	323.411	IBQLKVDWNDISRZ-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-054322
C=CCS[C@H](C)C(=O)N1CCCn2nc(C(=O)OC)cc2C1	ZINC22_65431980,PC-id_95132501	323.411	IBQLKVDWNDISRZ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054323
CN(C)C(=O)C1CSCN1C(=O)c1noc2c1CCCCC2	PC-id_136533935,EMOLS-id_111415800,MCULE-5232887277	323.411	FLCUEOZAZPFRSH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054324
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)C1CCOC1	EMOLS-id_313791539	323.411	FMWYBQNASBERKJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054325
CN(C)C(=O)c1nc2c(s1)CCN(C(=O)[C@H]1CCOC1)CC2	ZINC22_1565555293	323.411	FMWYBQNASBERKJ-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-054326
CN(C)C(=O)c1nc2c(s1)CCN(C(=O)[C@@H]1CCOC1)CC2	ZINC22_1614936817	323.411	FMWYBQNASBERKJ-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054327
CN(C)C(=O)[C@@H]1CSCN1C(=O)c1noc2c1CCCCC2	ZINC22_132727114	323.411	FLCUEOZAZPFRSH-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-054328
CN(C)C(=O)[C@H]1CSCN1C(=O)c1noc2c1CCCCC2	ZINC22_132727309	323.411	FLCUEOZAZPFRSH-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054329
COCC(=O)N1CCc2nc(C(=O)N3CCCC3)sc2CC1	ZINC22_96087999,PC-id_97407244,EMOLS-id_46185303	323.411	LOAZOQCBFFSDOK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054330
COC(=O)C1=C(C)OC(C1)CSc1nnc2n1CCCCC2	PC-id_121583888,MCULE-5171605380,EMOLS-id_73026969	323.411	QTQPMNQMDHHLPP-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-054331
COC(=O)C1=C(C)O[C@@H](CSc2nnc3n2CCCCC3)C1	ZINC22_271741206	323.411	QTQPMNQMDHHLPP-LLVKDONJSA-N	00000011100000000101000000000010000000000000000000000000	31-01-054332
COC(=O)C1=C(C)O[C@H](CSc2nnc3n2CCCCC3)C1	ZINC22_271741208	323.411	QTQPMNQMDHHLPP-NSHDSACASA-N	00000011100000000101000000000010000000000000000000000000	31-01-054333
COC(=O)C1(CCSC1)NC(=O)c1n[nH]c2c1CCCCC2	MCULE-9938009945,PC-id_121533894,EMOLS-id_73043041	323.411	CKXNNKHWHSZWAN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054334
COC(=O)[C@]1(NC(=O)c2n[nH]c3c2CCCCC3)CCSC1	ZINC22_239762132	323.411	CKXNNKHWHSZWAN-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054335
COC(=O)[C@@]1(NC(=O)c2n[nH]c3c2CCCCC3)CCSC1	ZINC22_239762135	323.411	CKXNNKHWHSZWAN-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054336
OC1CCCN(C1)C(=O)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111810472	323.411	NYPCHXVRJCXFSQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054337
O=C(CC1CS(=O)(=O)C=C1)NCc1n[nH]c2CCCCCc12	PC-id_91775093,MCULE-3974911840,EMOLS-id_55645498	323.411	MMYFQMBVUIEFFO-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-054338
O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1n[nH]c2c1CCCCC2	PC-id_100049879,ZINC22_219943912	323.411	MMYFQMBVUIEFFO-NSHDSACASA-N	00000011100000000101000000000010000000000000000000000000	31-01-054339
O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1n[nH]c2c1CCCCC2	PC-id_100049880,ZINC22_219943942	323.411	MMYFQMBVUIEFFO-LLVKDONJSA-N	00000011100000000101000000000010000000000000000000000000	31-01-054340
O=C(C(=O)Nc1nc2c(s1)CCCCC2)NC1CCOCC1	EMOLS-id_111811024	323.411	PIQDIFVOAMPBSA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054341
O=C(N1CCC(C1)(C)C(=O)O)Nc1nc2c(s1)CCCCC2	MCULE-3680643630,EMOLS-id_72854261,PC-id_122074622	323.411	HZZRMNNATSYMOY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054342
O=C(N1CCC(C1)C(=O)O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_72881237,MCULE-1546081909,PC-id_122092684	323.411	LFHJUHBHMSOBNW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054343
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(CC)C	PC-id_24341551	323.45	PDUWZJZBEKRMMU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054512
O=C(NC1(C)CCOC1=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_319351338	323.411	IEWTVRKVPHXULB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054344
OC(=O)C1CCCN(C1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_122074614,EMOLS-id_72854245,MCULE-6817207622	323.411	BDVDVWNIHSIGQL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054345
OC(=O)C1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_72854259,PC-id_122074621,MCULE-2370859779	323.411	QQNQBNPFXRXXKJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054346
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC(=O)C)C	PC-id_24644258	323.411	JIEAMQAYFBPJEA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054347
s1c2CCCCCc2cc1C(=O)NNC(=O)C(=O)NC(C)C	PC-id_9504001	323.411	PLKVHKNUSAKDMN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054348
c1(sc2c(CCCCC2)n1)NC(=O)C(=Cc1ccccc1)C#N	EMOLS-id_334603894,MCULE-3263079760	323.412	GMDPMNBFQUVLRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054349
s1c2CCCCCc2cc1C(=O)NN=Cc1ccc(cc1)C#N	PC-id_78620861	323.412	VEALQQDVPBYNOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054350
CC1(C)Cc2[nH]ncc2CN(C1)S(=O)(=O)CCn1cccn1	EMOLS-id_320301118,MCULE-8592498835	323.414	VOHSFCCKNHIQCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054351
Cc1c(scn1)CN1CCc2nn(c(=O)n2CC1)CCOC	MCULE-9728329786,PC-id_91922429,EMOLS-id_50585717	323.414	ZDXZXIVVHAESCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054352
Cc1nc(CN2CCCn3nnc(COCCO)c3C2)cs1	PC-id_97517024,ZINC22_96256068,EMOLS-id_44369454	323.414	FUGGQBLGKHDYFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054353
Cc1nn(c(c1)S(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C)C	EMOLS-id_320185437,MCULE-8504180196	323.414	YZBNUJVSQBJDIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054354
CCCS(=O)(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1	PC-id_97463028,ZINC22_96188594	323.414	FJFOKGRYZHTYHT-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054355
CCCS(=O)(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	ZINC22_96188595,PC-id_97463029	323.414	FJFOKGRYZHTYHT-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054356
CCCS(=O)(=O)N1CCc2ncc(Cn3cccn3)n2CC1	ZINC22_96196975,EMOLS-id_44328881,PC-id_97467119	323.414	MYADXJPBSRAMJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054357
CCCS(=O)(=O)N1CC(Cn2cccn2)Cn2c(C1)ncc2	PC-id_118739162	323.414	FJFOKGRYZHTYHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054358
C[C@@H](NC(=O)CN1CCSC1=O)c1nnc2n1CCCCC2	ZINC22_29255241	323.414	IGRJURXKSIAKAG-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-054359
C[C@H](NC(=O)CN1CCSC1=O)c1nnc2n1CCCCC2	ZINC22_29255246	323.414	IGRJURXKSIAKAG-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-054360
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Cn1ncc2c1CCCN(C2)S(=O)(=O)c1c(C)nn(c1C)C	EMOLS-id_101946087	323.414	DCSNHMYFNWTHNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054364
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cnn(c1)C(C)C	EMOLS-id_101948550	323.414	FZXXPRCAXJNBBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054365
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ncn(c1)C(C)C	EMOLS-id_101948673	323.414	RTSDHJQKJOXOHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054366
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CC(C)(C)C[C@H](O)[C@@H](NCc1cn2c(n1)CCCCC2)C(=O)O	ZINC22_2325801344	323.43	COSHRGXOQNAPST-DZGCQCFKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054376
CC(C)(C)C[C@@H](O)[C@H](NCc1cn2c(n1)CCCCC2)C(=O)O	ZINC22_2325801345	323.43	COSHRGXOQNAPST-HIFRSBDPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054377
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CC(OC(=O)COC1CCCCCc2c1nnn2C(C)(C)C)C	SCHEMBL20991923,PC-id_138626235	323.43	CFITXFBRVFZOOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054381
COCCN(C[C@@H](CN1CCCc2c(C1=O)c(C)c[nH]2)O)CC	PC-id_70905858,SCHEMBL13449530	323.43	BECUHDQKQBPPNM-AWEZNQCLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054382
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OC(CN1CCCc2[nH]cc(c2C1=O)C)CN(CCOC)CC	PC-id_77950545	323.43	BECUHDQKQBPPNM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054384
OC(CN1CCCc2[nH]cc(c2C1=O)C)CN(CCOCC)C	PC-id_77953842	323.43	RPRIZSJOEFNPHZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054385
O=C(OC(C)(C)C)COC1CCCCCc2c1nnn2C(C)C	PC-id_138462670,SCHEMBL20807331	323.43	QKWCXSQOEMCFMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054386
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c1(ccc2CN(CCCn12)Cc1ccccc1)C(=O)NC1CCC1	MCULE-6804878744,EMOLS-id_317415770	323.432	OLOUDOHXMDQUCN-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-054388
c1(C(=O)N2CCC(CC2)c2ccccc2)c2CCCCCc2n[nH]1	EMOLS-id_49248570,PC-id_75490142,MCULE-1111126279,ZINC22_96231803,STOCK7S-47067,EMOLS-id_50400948	323.432	UZDBSAJLGLWIPL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-054389
c1(C(=O)NC(C)c2ccc3c(CCC3)c2)c2CCCCCc2n[nH]1	MCULE-9484992152,PC-id_16677261,EMOLS-id_30429621,SYN-15586990	323.432	BDPZGOHBBJJAGZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054390
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)c1cc(C)cc(c1)C	EMOLS-id_320195441,MCULE-7504550630	323.432	ZAPXYQBLIYIVTA-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-054391
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCC1)c1cccc(c1)C	EMOLS-id_319380729	323.432	QHKWLSXSFKYTKI-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-054392
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCC1)Cc1ccccc1	MCULE-7940915679,EMOLS-id_319984243	323.432	OKRAILXPKTZRJX-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-054393
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1CC(C1)c1ccccc1	EMOLS-id_319815716	323.432	ZYKRCLCVOTYDCL-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-054394
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1)C1CCC1	EMOLS-id_320065013,MCULE-4127021538	323.432	UVLAIDZFXVNOGG-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-054395
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCC1CCc2c1cccc2	EMOLS-id_320166692,MCULE-5702386368	323.432	DDQLLWUASYSXMG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054396
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1C[C@H]1c1ccc(c(c1)C)C	EMOLS-id_320051969,MCULE-2250535093	323.432	KVGFMOLVVBWDRQ-OTLVQASYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-054397
C=CC(C(=O)N1Cc2cnn(c2CC(C1)(C)C)C)c1ccccc1	EMOLS-id_319765912	323.432	SGUSFZHVCWDXHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054398
C[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccc2c(c1)CCC2	CoCoCo_475094,ZINC22_12116845,PC-id_51492908,CoCoCo_475096	323.432	BDPZGOHBBJJAGZ-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054399
C[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccc2c(c1)CCC2	ZINC22_12116844,PC-id_51492907,CoCoCo_475097,CoCoCo_475095	323.432	BDPZGOHBBJJAGZ-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054400
CCOCCc1ccc(cc1)Cn1c(CC)nc2c1C=CN=CC2	PC-id_141792557	323.432	QNPQQPHIAOHCSQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-054401
COCCC1CN(Cc2cccc3[nH]ccc23)Cc2cccn2C1	EMOLS-id_313836328	323.432	QXFRXHOKQQAYOO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054402
COCC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2cccn2C1	ZINC22_585095446	323.432	QXFRXHOKQQAYOO-INIZCTEOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054403
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CCCC(CNC(=O)NCc1nnc2n1CCCCC2)CCO	PC-id_111504100	323.434	KENPTRZBMKGFHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054414
CCC(C(CNC(=O)NCc1nnc2n1CCCCC2)O)CC	PC-id_111115149	323.434	TTZSXHKRNAJWMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054415
CCC(C(CNC(=O)NCc1nnc2n1CCCCC2)(O)C)C	PC-id_111120852	323.434	WFDUUQIUXGUZHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054416
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CC(CC(CNC(=O)NCCc1nnc2n1CCCCC2)O)C	PC-id_110910054	323.434	OVBGHAAJVNCNNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054418
CCC(C(CNC(=O)NCCc1nnc2n1CCCCC2)O)C	PC-id_111337924	323.434	PDYQWDJNURHILH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054419
CCC(CNC(=O)NCCc1nnc2n1CCCCC2)(CC)O	PC-id_110910053	323.434	MHLPVWQBRJURDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054420
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CC(CN(C(=O)NCCc1nnc2n1CCCCC2)C(C)C)O	PC-id_112269331	323.434	DLJNSFSQXFRPGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054423
CCN(C(=O)NCCc1nnc2n1CCCCC2)CC(O)(C)C	PC-id_112236184	323.434	FAAKGBFZXZTRHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054424
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O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc(c(c1)Cl)F	EMOLS-id_319181196	323.753	LKOITTGBNLUJKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054648
O=C(N1CCCn2c(C1)cc(n2)N)Nc1cccc(c1F)Cl	EMOLS-id_318876761	323.753	WCYCUMVBVKBDMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054649
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc(c(c1)F)Cl	EMOLS-id_319939387,MCULE-5758870872	323.753	MSNFFRDSPGZYCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054650
O=C(Nc1ccc(c(c1)Cl)F)CN1CCCn2c(C1)cnn2	EMOLS-id_316684262	323.753	FHLNLZDGDRKFMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054651
c1(c(Cl)cnn1C)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	MCULE-2479561732,EMOLS-id_55657186,PC-id_91779113	323.778	MNJMXBHQTGAFMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054652
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1c(Cl)cnn1C)C2	ZINC22_220488591,PC-id_100059576	323.778	MNJMXBHQTGAFMJ-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054653
C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1c(Cl)cnn1C)C2	ZINC22_220488670,PC-id_100059578	323.778	MNJMXBHQTGAFMJ-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-054654
CNc1nc(ncc1Cl)N(Cc1nnc2n1CCOCC2)C	MCULE-9798439821,EMOLS-id_320166975	323.781	CETOWOFRZWEIPK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054655
CC1CN(CC(c2ccc(cc2Cl)F)O)Cc2c(C1)[nH]nc2	MCULE-8881684657,EMOLS-id_320088345	323.793	ISEXRWCLBNVDKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054656
COCC1CN(Cc2ccc(Cl)c(F)c2)Cc2cncn2C1	EMOLS-id_49238193	323.793	QGKRBSDGAGIKAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054657
COC[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cncn2C1	PC-id_97486602,ZINC22_96219696	323.793	QGKRBSDGAGIKAW-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054658
COC[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cncn2C1	PC-id_97486603,ZINC22_96219698	323.793	QGKRBSDGAGIKAW-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054659
Clc1cc(sc1)C(=O)c1n2c(C(CCCC2)C(=O)O)cc1	SCHEMBL11194843,PC-id_20483974	323.795	QQAIWDIRDDUUOA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-054660
Clc1sc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2)cc1	PC-id_20483971,SCHEMBL11198024	323.795	PGANPQYIDJMXLN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-054661
CC(Cc1ccc(cc1Cl)F)NC1CCn2c(CC1)nnn2	MCULE-5405873176,EMOLS-id_318217483	323.796	ZBQURIQEIRQJKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054662
Clc1cc(c(Sc2n3CCCCCc3nn2)cc1)C(=O)O	PC-id_61609949	323.798	VRIJBFNWJPHUQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054663
Clc1c(c(Sc2n3CCCCCc3nn2)ccc1)C(=O)O	PC-id_62702957	323.798	QTJSYLGILUZOOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054664
Clc1cc(Sc2n3CCCCCc3nn2)ccc1C(=O)O	PC-id_62944777	323.798	MNOPECCAUBVLRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054665
Clc1cc(Sc2n3CCCCCc3nn2)c(cc1)C(=O)O	PC-id_63083190	323.798	WJDPSAMMIGFGDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054666
Clc1c(Sc2n3CCCCCc3nn2)ccc(c1)C(=O)O	PC-id_63091789	323.798	OGZZHUQAMBGPPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054667
Clc1nc(nc(Sc2n3CCCCCc3nn2)c1C=O)C	PC-id_80726761	323.801	AFUXFHPJWYWOOQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054668
Clc1c(NC(=O)c2sc3CCCCCc3c2)ccc(F)c1	PC-id_24405947	323.813	YDKGTFNGUWQOPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054669
O=C(Nc1ccc(Cl)cc1F)c1cc2c(s1)CCCCC2	CoCoCo_3365050,PC-id_7961406,ZINC22_6388631,EMOLS-id_43856401,MCULE-5174354505	323.813	DSAOBJIQNFACLJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054670
CCOC(=O)N1CCc2c(CC1)cc(s2)S(=O)(=O)Cl	PC-id_87464444,SCHEMBL3002091	323.816	YZICKSAYDCZITD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054671
Fc1cccc(c1C[N@@H+]1CCn2c(CC1)nnc2C(C)C)Cl	GD-id_ZINC11968515	323.816	GZBUASNQODQEFL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-054672
c1(CN2CCCn3nc(CO)cc3C2)c(CC)nn(C)c1Cl	MCULE-1102334024,EMOLS-id_55619204,PC-id_91765851	323.821	YWEPDGDNMVXYMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054673
ClC1=CCCN(C1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_316657423	323.821	VEYHCKFKCGERCD-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-054674
C1C(=C(C=C(C2=NSN=C21)Br)F)Br	PC-id_163897481	323.837	QGXMYRPRUYMXLX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-054675
CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(Cl)s1	ZINC22_2325825453	323.838	QHBDKUKCTBYQDM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-054676
CC(C)(C(=O)N1CCCc2occc2C1)c1cscc1Cl	ZINC22_2325825590	323.838	WFYWZOQRFJHQIN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-054677
CC(C)(C(=O)N1CCCc2occc2C1)c1sccc1Cl	ZINC22_2325825385	323.838	OEESEENCUNAKAW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-054678
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1scc(c1)Cl	EMOLS-id_319429034	323.841	GZDQWBJUHKCWKA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-054679
CCn1cc(cc1C(=O)N1CCCCc2c1sc(n2)C)Cl	EMOLS-id_319730253	323.841	OWKWSKYJZPPTNF-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-054680
Clc1ccccc1OCCSc1nnc2n1CCCCC2	CoCoCo_3081440,ZINC22_40159035,PC-id_45838182,MCULE-9566269774,EMOLS-id_29945637	323.841	XLSLBORHULUXIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054681
Clc1cccc(OCCSc2nnc3n2CCCCC3)c1	MCULE-4357137775,PC-id_45838188,EMOLS-id_30227120,ZINC22_40159042	323.841	KLQZUUVWXLLVKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054682
Clc1c(C(O)C)ccc(Sc2n3CCCCCc3nn2)c1	PC-id_64328098	323.841	HXHJELPCZGQZQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054683
Clc1c(Sc2n3CCCCCc3nn2)ccc([C@H](O)C)c1	PC-id_63813839	323.841	DMMNVTRVWSICFZ-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054684
Clc1c(Sc2n3CCCCCc3nn2)ccc([C@@H](O)C)c1	PC-id_78951714	323.841	DMMNVTRVWSICFZ-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-054685
Clc1c(Sc2n3CCCCCc3nn2)ccc(C(O)C)c1	PC-id_63813686	323.841	DMMNVTRVWSICFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054686
Clc1c(nc(NC)cc1)CSc1n2CCCCCc2nn1	PC-id_62885309	323.844	SAZUWWCODPKTDP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054687
Clc1ncnc(Sc2n3CCCCCc3nn2)c1CCC	PC-id_63732904	323.844	PQFKUZZLYPDFCM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054688
Clc1ncnc(Sc2n3CCCCCc3nn2)c1C(C)C	PC-id_63732905	323.844	SVKDLIAUCBGFAM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054689
Clc1nc(nc(Sc2n3CCCCCc3nn2)c1)CCC	PC-id_80940063	323.844	YLOBVFUKRKXENR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054690
Clc1nc(nc(Sc2n3CCCCCc3nn2)c1)C(C)C	PC-id_80947205	323.844	SXBUKOWJXCGIKS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054691
Clc1nc(nc(Sc2n3CCCCCc3nn2)c1C)CC	PC-id_80970501	323.844	PWFBGBZPLWRWTH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054692
Clc1ccc(c(c1)CC(c1cc2c(s1)CCCCC2)N)F	PC-id_103052904	323.856	DBDGTWFFXPUVAZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054693
Clc1ccc(c(c1)F)CC(c1cc2c(s1)CCCCC2)N	PC-id_105055561	323.856	MQOGQVUIQJYPHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054694
Clc1c(CC(N)c2sc3c(CCCCC3)c2)c(F)ccc1	PC-id_63527878	323.856	WJNJDYVHWFNPSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054695
Clc1c(C(N)c2sc3c(CCCCC3)c2)cc(c(F)c1)C	PC-id_81048304	323.856	UXAOFTBLOXNXLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054696
CNC(c1ccc(cc1F)Cl)c1cc2c(s1)CCCCC2	PC-id_105022647	323.856	DRYOFIBFARZZQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054697
CNC(c1cc(F)ccc1Cl)c1cc2c(s1)CCCCC2	PC-id_105396988	323.856	SFEKMVNSMDXVGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054698
Fc1ccc(c(c1)CC(c1cc2c(s1)CCCCC2)N)Cl	PC-id_102622658	323.856	HKIQOMBBVUQNCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054699
Fc1ccc(c(c1)Cl)CC(c1cc2c(s1)CCCCC2)N	PC-id_115840693	323.856	BGCCDHQEGRCIHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054700
NC(c1cc2c(s1)CCCCC2)Cc1ccc(c(c1)Cl)F	PC-id_103043248	323.856	WMRQMNKGWAZWPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054701
NC(c1cc2c(s1)CCCCC2)Cc1cccc(c1Cl)F	PC-id_105032663	323.856	ANTNGQKMDSROTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054702
NC(c1cc2c(s1)CCCCC2)Cc1cccc(c1F)Cl	PC-id_102866612	323.856	COEXOPMBXFPAGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054703
NC(c1cc2c(s1)CCCCC2)Cc1ccc(c(c1)F)Cl	PC-id_107892443	323.856	MTNXWGMUFORHLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054704
ClC1CCC(CC1)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319353601	323.861	XKPPLXJIHBWDOW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054705
ClC1CC2N(C(CC2)C1)C(=O)c1sc2c(c1)CCCCC2	PC-id_63762254	323.881	RCKOPWFNORCCDJ-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-054706
CCCn1ncc(c1C(c1cc2c(s1)CCCCC2)N)Cl	PC-id_105042797	323.884	HKGZMEBPCOJGHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054707
CCn1ncc(c1C(c1cc2c(s1)CCCCC2)NC)Cl	PC-id_105040775	323.884	CMALWGUBESKZAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054708
CCNC(c1c(Cl)cnn1C)c1cc2c(s1)CCCCC2	PC-id_105046317	323.884	HZSZGPODYJDMMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054709
Clc1cnn(c1C(c1cc2c(s1)CCCCC2)N)C(C)C	PC-id_105041941	323.884	HCAHRKQJCNZVSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054710
NC(c1cc2c(s1)CCCCC2)Cc1c(C)nn(c1Cl)C	PC-id_105035169	323.884	ZNKFHWNKWTVZLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054711
NC(c1cc2c(s1)CCCCC2)Cc1n(C)nc(c1Cl)C	PC-id_104996855	323.884	ZGPPPBGFFDTDPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054712
C1=CC2=NC(=C(N2C=C=C1Cl)CBr)C(F)(F)F	PC-id_148413864	323.928	LUFZVBKYYZFJGW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-054713
Brc1c2CC(O)CNC(=O)c2[nH]c1Br	PC-id_59563529,SCHEMBL13042351	323.969	MMOIONDJHROQLS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054714
Brc1c2C(O)CCNC(=O)c2[nH]c1Br	PC-id_59789207,SCHEMBL3426619	323.969	DMLFRBMMVKHWLU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054715
OC1CCNC(=O)c2n1c(Br)c(c2)Br	PC-id_101054216	323.969	LMRFHEQPWLHWTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054716
C1COC2=CSC=C2OC1CC3=CC=C(C=C3)Br	PC-id_154018955	323.982	MYVQIOOJMBKYOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054717
C1CCC2=CC(=NN2CC1)COPI	PC-id_155019614	323.989	WKFZTNSDNTWCJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054718
BrC1(Br)CCCc2sccc2C1=O	PC-id_12344635	324.032	YFFQWUHTKNLDOM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054719
CC1(CCCCCC2=C1N=NN2[I-]C)F	PC-id_160438985	324.038	UBUJGNJITQHZMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054720
Brc1c2CCCCCCc2sc1Br	PC-id_71670765	324.075	ONIFUBRPLGASDR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-054721
CC[OH+]C(/C=C/C1C(CC=C(C2=C1SC=C2)[N+](=O)[O-])C)OC	PC-id_164153227	324.126	ZGLLXXCTGDUYCU-SOFGYWHQSA-O	00000000100000000110000000000010000000000000000000000000	31-01-054722
P(PP)(P)n1nnc2OCCN(CCC)C(=O)c12	PC-id_23398337	324.133	HCVCTFSMBBAKFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054723
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)C#N)C2)C	PC-id_160914167	324.159	XBAIGKQMGGUETP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054724
C1C=C(c2c(C(=O)N1)[nH]c(c2Cl)Cl)NNc1ccccn1	PC-id_91407804	324.165	UXKCCUGMGYBENC-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-054725
C1CNC(=O)c2c(/C/1=NNc1ccccn1)c(c([nH]2)Cl)Cl	PC-id_136384010,SCHEMBL3426548	324.165	AWJACNYSMBTZTH-GXHLCREISA-N	00000000100000101100000000000010000000000000000000000000	31-01-054726
C1CNC(=O)c2c(/C/1=N/Nc1ccccn1)c(c([nH]2)Cl)Cl	SCHEMBL13341130,PC-id_135445380	324.165	AWJACNYSMBTZTH-FBCYGCLPSA-N	00000000100000101100000000000010000000000000000000000000	31-01-054727
Clc1[nH]c2c(c1Cl)C(=NNc1ccccn1)CCNC2=O	PC-id_136647130,BindingDB-id_111123	324.165	AWJACNYSMBTZTH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-054728
BrC1=CC=c2c(=CC1)nc([nH]2)C(=O)N1CCOCC1	SCHEMBL18932248	324.173	YPMJPVAABUIRMY-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-054729
Brc1ccc(o1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_112009694	324.173	LMNITBQHRBISKT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-054730
Brc1ccc(o1)C(=O)N1CCCn2c(C1C)ncc2	EMOLS-id_96058449,MCULE-8246399219	324.173	MCQKQIFLHQKRRQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-054731
Brc1occ(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_112009712	324.173	HBGSDKLBBSPHSZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-054732
Cn1ncc2c1CCCN(C(=O)c1occc1Br)C2	ZINC22_408463553,MCULE-5671204616,EMOLS-id_112009736,PC-id_136547632	324.173	CEHFSZBJBCVFKQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-054733
O=C(c1n[nH]c2c1CCCCC2)Nc1c[nH]nc1Br	EMOLS-id_316503248	324.176	NCHRZOYZXUINFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054734
CN(C)C=C1CCCC2=C(C1=O)N(C=C2)CC3=CC=CC=C3OC	PC-id_154499325	324.184	WQIIYRRQYXYWMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054735
CN(C)C=C1CCCC2=C(C1=O)N(C=C2)CC3=CC(=CC=C3)OC	PC-id_154499326	324.184	WRGVFMHUMRYDGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054736
CN(C)C=C1CCCC2=C(C1=O)N(C=C2)CC3=CC=C(C=C3)OC	PC-id_154499327	324.184	YQFDOPCFPXVSOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054737
c1(C(=O)Nc2c(cccc2Cl)Cl)c2CCCCCc2[nH]n1	EMOLS-id_335021388,MCULE-3399649341	324.205	ZAGHGSMJGZXGAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054738
c1(C(=O)Nc2ccc(c(Cl)c2)Cl)c2CCCCCc2[nH]n1	EMOLS-id_323250104,MCULE-7937636374	324.205	GEEIMVSOQFFFCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054739
c1(C(=O)Nc2cccc(Cl)c2Cl)c2CCCCCc2[nH]n1	MCULE-7876255123,EMOLS-id_323255477	324.205	YDBMFEVBBBWDGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054740
c1(C(=O)Nc2cc(Cl)cc(Cl)c2)c2CCCCCc2[nH]n1	MCULE-3615757189,EMOLS-id_323256243	324.205	LMLZWWKXLZAZRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054741
c1(C(=O)Nc2c(Cl)ccc(Cl)c2)c2CCCCCc2[nH]n1	EMOLS-id_323252916,MCULE-7275100425	324.205	TWTKOJZOPHRABH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054742
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1Cl)Cl	EMOLS-id_318871942	324.205	AEPNNUJNYITZBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054743
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(Cl)cc(c1)Cl	EMOLS-id_318783030	324.205	SJPWNNIVOHQTIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054744
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(Cl)ccc1Cl	EMOLS-id_319013042	324.205	VZVVURYCNWQXGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054745
Clc1cc(Cl)c(NC(=O)c2c3c(CCCCC3)[nH]n2)cc1	EMOLS-id_323253172,MCULE-7324856133	324.205	VIWBSTHUVICKAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054746
OC(C(F)(F)F)c1cc(c2-c1ccccc2)C(C(F)(F)F)O	PC-id_102231520	324.218	DMOLSBUDZPJPGH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-054747
Cn1nc(c(c1)Br)NCc1cnc2n1CCCCC2	EMOLS-id_318567954,MCULE-4693994830	324.22	CVFVVUGIONNGRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054748
Brc1ccccc1OC1CNCCc2c1scc2	PC-id_68413852,SCHEMBL2845450	324.236	QUZASYZJYNDRQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054749
Brc1ccc(s1)Cn1cc2c(c1)CCCCC2=O	EMOLS-id_315119153,PC-id_83207376	324.236	QISGFPGAEQIKFB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-054750
Brc1cc(sc1)Cn1cc2CCCCC(=O)c2c1	PC-id_83208097,EMOLS-id_315760790	324.236	DIEPACBYXWFHPK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-054751
Brc1c(OC2c3c(scc3)CCNC2)cccc1	PC-id_68412632	324.236	BKGDULFFUQHOEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054752
Brc1c(scc1)Cn1cc2CCCCC(=O)c2c1	PC-id_83206827,EMOLS-id_315762580	324.236	RAOVEIGIHZAZEN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-054753
B1(N=C(C=C(C(=C(c2c(cc(n12)C)C)CCCCC#C)C)C)C)F	PC-id_89574513	324.243	ZRGXMGUQKOFSNS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-054754
C#CCCCC/C/1=C(/C)C(=C/C(=N/B(n2c1c(C)cc2C)F)/C)C	SCHEMBL14959175	324.243	ZRGXMGUQKOFSNS-SPHVHTGTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-054755
CCc1nn2c(c1)CN(CCC2)Cc1cc(Cl)cc(c1)Cl	PC-id_90460068,SCHEMBL16099148	324.248	BSBZNJWFSMEEJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054756
COC(=O)c1n(C)cc2c1C=CC(NS2(=O)=O)C(F)(F)F	PC-id_140762762	324.276	VOULRUPEQIHICF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-054757
c1(C(=O)Nc2ccccc2C(F)(F)F)c2CCCCCc2on1	EMOLS-id_15972044,CHEMBL1355390,TIMTEC504441,MCULE-9349203067,ZINC22_426568,PC-id_4053936	324.298	VMLIHUKCMGMZGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054758
c1(C(=O)Nc2ccc(cc2)C(F)(F)F)c2CCCCCc2on1	PC-id_45491672,STOCK6S-87696,ZINC22_36354758,MCULE-1375748451,EMOLS-id_29922045	324.298	OYIGOTOZFBYMSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054759
c1(C(=O)Nc2cccc(c2)C(F)(F)F)c2CCCCCc2on1	ZINC22_426567,TIMTEC338303,EMOLS-id_15972042,MCULE-6306785860,STOCK6S-94545,PC-id_4053935	324.298	NPCBLXUMODDDKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054760
Fc1cc(NC(=O)c2noc3c2CCCCC3)cc(c1)C(F)F	EMOLS-id_319424391	324.298	HLGHIMUUPTXYNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054761
c1(C(=O)Nc2ccc(nc2)C(F)(F)F)c2CCCCCc2[nH]n1	ZINC22_170625674,STOCK7S-48412,PC-id_91639038,EMOLS-id_54879697,MCULE-8557490979,EMOLS-id_50227986	324.301	PVYKLPGLHYRDHH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054762
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cn1)C(F)(F)F	EMOLS-id_319373177	324.301	CWFPYUJCEMJJBV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054763
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccnc1C(F)(F)F	EMOLS-id_320138041,MCULE-9813790245	324.301	DCGLMYXMDBVEOZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054764
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc(c1)C(F)(F)F	EMOLS-id_319181649	324.301	ZJYRCRZTVNHDDW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054765
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnccc1C(F)(F)F	EMOLS-id_318929184	324.301	NKEJBSGTHAQEMD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054766
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncc(c1)C(F)(F)F	MCULE-4760857904,EMOLS-id_320288910	324.301	OIBKDDMSMXZWQX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054767
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nccc(c1)C(F)(F)F	EMOLS-id_319016220	324.301	YFQZTLSCQMPAEQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054768
Cc1nnc2CCN(CCn12)C(=O)c1ccccc1C(F)(F)F	MCULE-3064716496,PC-id_56852792,EMOLS-id_232711854,ChEMBL-DNDi_CHEMBL17372601,ZINC22_200496645	324.301	OTGZLVOROGBLCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054769
Cn1ncc2c1CCCN(C(=O)c1cccc(C(F)(F)F)n1)C2	EMOLS-id_101678387,ZINC22_333697319,MCULE-5478681777	324.301	BMJFKKPIQGMVDW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054770
Cn1ncc2c1CCCN(C(=O)c1ncccc1C(F)(F)F)C2	ZINC22_333979571,EMOLS-id_101674766,MCULE-1124047292	324.301	BTQCQOSAOMJNGB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054771
Fc1cc(F)c(c(c1)F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101957156	324.301	QEJRTWICVOKKIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054772
Fc1cc(NC(=O)N2CCCc3c(C2)cnn3C)c(c(c1)F)F	EMOLS-id_101851582	324.301	FVOUWOPPUDVFFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054773
N#Cc1cc2n(n1)CCCN(C(=O)c1n[nH]c(n3cnnc3)n1)C2	ZINC22_2100483656,EMOLS-id_337653705	324.301	GWWWQXMYVBXGGU-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-054774
O=C(c1cccnc1C(F)(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_101674733	324.301	UIFLVHZSFLNKQF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054775
O=C(c1ccncc1C(F)(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_101676563	324.301	VFRBVWRMSHKWFS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054776
O=C(c1cncc(c1)C(F)(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_101678267	324.301	PXEWKDVTFOCLDJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054777
O=C(N1CCCc2c(C1)cnn2C)c1ccc(cn1)C(F)(F)F	EMOLS-id_101669278	324.301	BDWZXIKBCZFNME-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054778
O=C(N1CCCc2c(C1)cnn2C)c1ccc(nc1)C(F)(F)F	EMOLS-id_101669275	324.301	NYMKLCLUMKCRNT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054779
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1F)F)F	EMOLS-id_101959045	324.301	IMAYOIPFQBGEAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054780
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(F)c(cc1F)F	EMOLS-id_101959399	324.301	ZCEOUJPXPKERJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054781
COc1cc(ccc1OC(F)F)CN1CCCn2c(C1)cnn2	MCULE-2848960128,EMOLS-id_319861455	324.326	DREOIYBKUPHJEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054782
O=C(c1noc2c1CCCCC2)NCC(n1cccn1)C(F)F	EMOLS-id_318929310	324.326	KHOFZTRIPLJRHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054783
CC(CCCCn1cnc2c1NC=NCC2O)(C(=O)O)C(=O)O	PC-id_10805903,BindingDB_PC-id_10805903,CHEMBL284277	324.332	OCMHCUXUMCNAQJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-054784
C1Cn2cc(cc2C(=O)N(C1)Cc1cccc(c1)C#N)C(=O)NO	SCHEMBL12233970,PC-id_88894921	324.334	TWPOXJQNQLERLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054785
OC1c2ncn(c2NC=NC1)CC#Cc1cc(ccc1)C(=O)OC	PC-id_10734757	324.334	ANWRBYLRIRCDID-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-054786
O=C1N(C=Cc2[nH]c(nc2C1=Cc1ccc(OC)cc1)NC=O)C	PC-id_25216046	324.334	LYSNSSNMEXFGLD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-054787
O=C1N(CCCn2c1cc(c2)C(=O)NO)Cc1cc([N+]#[C-])ccc1	PC-id_58465740,SCHEMBL12210799	324.334	CIQIHTWHNFPJDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054788
O=C(c1n2c(CCCCC2)c(c1N)C#N)c1cc([N+](=O)[O-])ccc1	PC-id_24072055	324.334	NZMJGYYNVAVVFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-054789
CCC(=O)O[C@H](C(F)(F)F)c1ccc2-c1c(C)cc(cc2C)C	PC-id_101151974	324.337	SZNSRNLMWZZLES-KRWDZBQOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-054790
CCOC(=O)[C@@H](C(F)(F)F)c1ccc2-c1c(C)cc(cc2C)C	PC-id_101362053	324.337	YTUHCADJYKLXSH-INIZCTEOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-054791
O=C(C1CCn2c(CC1)nnn2)Nc1ccccc1c1ncco1	EMOLS-id_278994505	324.337	ZVFBPPVBPMTRQF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054792
O=C(c1noc2c1CCCCC2)Nc1cnn(c1)c1ncccn1	EMOLS-id_100103505	324.337	CCKVDTKPSMOGFD-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-054793
O=C(Nc1ccc(n2cncn2)nc1)c1noc2c1CCCCC2	ZINC22_125745518,MCULE-2677605593,EMOLS-id_100922751	324.337	DCERCBHGENTKEV-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-054794
O=C(Nc1cncnc1n1cccn1)c1noc2c1CCCCC2	ZINC22_275551653,EMOLS-id_316881494,MCULE-7906970701,PC-id_136534274	324.337	CHDVHDHWGDKTLB-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-054795
O=C(N[C@@H]1CCNC(=O)c2[nH]ccc12)Nn1cnc2ccccc12	ZINC22_2325867173	324.337	NIVNPHQWMWWFGH-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054796
O=C(N[C@H]1CCNC(=O)c2[nH]ccc12)Nn1cnc2ccccc12	ZINC22_2325867174	324.337	NIVNPHQWMWWFGH-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-054797
O=C(c1ccnnc1)N1CCCn2nnc(Cn3cccn3)c2C1	ZINC22_96084725,EMOLS-id_46182475,PC-id_97405548	324.341	MSXBSTJTCXMTLA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054798
O=C(c1cnccn1)N1CCc2nnc(Cn3cccn3)n2CC1	PC-id_97519966,ZINC22_96259885,EMOLS-id_44371308	324.341	OAQLEOHCFHUIGW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054799
O=C(c1cnccn1)N1CCCn2c(C1)c(nn2)Cn1cncc1	PC-id_97405541	324.341	DPXSJJWVBOCOEE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054800
O=C(c1cnccn1)N1CCCn2nnc(Cn3cccn3)c2C1	PC-id_97519635,EMOLS-id_44370654,ZINC22_96259553	324.341	APMZATAWBIWICY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054801
Cc1c(cccc1C(F)(F)F)NCc1nnc2n1CCCCC2	EMOLS-id_318233669,MCULE-8314333668	324.344	ZAVFRMYHOYOBGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054802
Cc1cc(ccc1C(F)(F)F)NCc1nnc2n1CCCCC2	EMOLS-id_318334964,MCULE-5041197074	324.344	RLMAPHRUTMQVTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054803
Cc1ccc(cc1C(F)(F)F)NCc1nnc2n1CCCCC2	MCULE-9601136630,EMOLS-id_318206994	324.344	HZBNZIVWEPNSLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054804
Cc1ccc(c(c1)NCc1nnc2n1CCCCC2)C(F)(F)F	MCULE-4938773657,EMOLS-id_318380544	324.344	CTVVPWSLJSMHCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054805
Cc1ccc(cc1NCc1nnc2n1CCCCC2)C(F)(F)F	MCULE-8349699291,EMOLS-id_318372523	324.344	GZUVNJOJQXJIGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054806
Cc1cc(NCc2nnc3n2CCCCC3)cc(c1)C(F)(F)F	MCULE-3086974696,EMOLS-id_318117971	324.344	PXWLIKUTUNSHRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054807
CN(Cc1cc(F)c(F)c(F)c1)C1CCc2nnc(C)n2CC1	EMOLS-id_239612698,MCULE-9900125916	324.344	HQYGMVLZXASZBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054808
FC(C(c1ccccc1)NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318182407,MCULE-1575902665	324.344	UWTRLONSBSNREV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054809
FC(Cc1cccc(c1)NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318311727,MCULE-9410027718	324.344	VVUKQLAQKRKGPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054810
FC(Cc1ccccc1NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318313248,MCULE-2944482096	324.344	NIKLGOHVIFOBGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054811
FC(Cc1ccc(cc1)NCc1nnc2n1CCCCC2)(F)F	MCULE-9031275491,EMOLS-id_318180307	324.344	NYUQKTLWHVLDQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054812
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(c(c1F)O)F	EMOLS-id_319428386	324.346	GDDVETNMDATXAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054813
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc(F)c(c(c1)F)O	EMOLS-id_318991255	324.346	XMAWEUBHVZELND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054814
O=C(c1ccc(c(c1F)O)F)Nc1nc2c(s1)CCCCC2	MCULE-7005768407,EMOLS-id_319927888	324.346	RYPNSPKISWXXNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054815
Cc1nc2c(s1)N(CCCC2)C(=O)c1ncnc(c1)C(F)F	EMOLS-id_319228059	324.349	HAHMHUMUVJKZGL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054816
O=C(c1ncnc(c1)C(F)F)Nc1nc2c(s1)CCCCC2	EMOLS-id_319755283	324.349	WXWYWCNZIDVRSY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054817
COCCNC(=O)c1cnn2c1CN(C(=O)C1(F)CC1)CCC2	EMOLS-id_313741301,ZINC22_1565552309	324.351	ZKNIBDIVMQQQLM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-054818
N#CC1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(cc1)F	SCHEMBL17777873,PC-id_121358805	324.352	JLTLSSOSIOHLNM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-054819
N#CC1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)F	SCHEMBL17777897,PC-id_121358829	324.352	BIUHGNGIZXIAQE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-054820
Cn1ncc(c1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_112072765	324.356	SHSAMAPCKHAOBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054821
COc1cccc(c1S(=O)(=O)N1CCCn2c(C1)cnn2)O	MCULE-4097570601,EMOLS-id_320014422	324.356	ZSJRIGMBPFUWSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054822
O=C1CCCC(=O)CNC(=O)CNC(=O)c2nc(CN1)sc2	PC-id_67992997,SCHEMBL9980466	324.356	YTFIKVUQVXGQPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054823
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1ccnn1C	EMOLS-id_112072429	324.356	ALOMLDGSHMWSIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054824
FC(c1cccc(c1)/C=C/c1nc2c(s1)NCCCC2)(F)F	SCHEMBL8313871,PC-id_15069506	324.364	FYYAZHJIQGVFPE-BQYQJAHWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054825
s1c2NCCCCc2nc1C=Cc1cc(ccc1)C(F)(F)F	PC-id_53825686	324.364	FYYAZHJIQGVFPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054826
CC(C)(c1c(cc(cc1)OC)C(=O)O)c1cc2c(o1)C=CC=CC2	PC-id_135211443,SCHEMBL20366787	324.37	LFPSUFJTTCRRMW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-054827
O=C(c1c2-c(cc1)ccccc2)CC(=O)c1c2-c(cc1)ccccc2	PC-id_86081802	324.372	WOLKYBMQYVSVAB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-054828
O=Cc1c2-c(c(Cc3c4-c(c(c3)C=O)ccccc4)c1)ccccc2	PC-id_15440516	324.372	UZPSRWXTFFIGIE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-054829
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)OC	PC-id_4323087	324.372	CQVAHRUPLXGPQQ-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-054830
Cc1nnc2CCC(CCn12)NS(=O)(=O)c1ccccc1F	PC-id_91922579,EMOLS-id_50590225,MCULE-2026407525	324.374	ZDZKJORUUBHZSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054831
CN(C(=O)c1noc2c1CCCCC2)Cc1cc2c(o1)cccc2	EMOLS-id_100130487	324.374	YPMAKKFZVRMPQX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054832
O=C1Nc2c(C1(C)C)cc(cc2)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99401787	324.374	ZPJGWCTVNDVKJP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-054833
O=C(N1CCCc2c(C1)cco2)Nc1ccc2c(c1)c(C)c(o2)C	EMOLS-id_99352579	324.374	YYSYDUUNZPYSLQ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-054834
C1CCc2nnc(n2CC1)C(=O)NC1CCOCC1OCCO	PC-id_91793558	324.375	CFDAHSJHEXENCB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054835
c1(C(=O)N[C@@H]2CCOC[C@H]2OCCO)nnc2CCCCCn12	ZINC22_223479081,EMOLS-id_55699311,MCULE-4471944044	324.375	CFDAHSJHEXENCB-VXGBXAGGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054836
s1c2CCCCCCc2cc1C(=O)Nc1ccc(cc1)CC#N	PC-id_9260385	324.44	RPVNKYHYSGXVSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055188
COC(=O)C(CN(C(=O)Cn1nc2n(c1=O)CCCCC2)C)C	PC-id_86845934	324.375	RHPQIZLHGUTTEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054837
O=c1n2CCCCCc2nn1CC(=O)N(C(C)C)CC(=O)OC	PC-id_78885319	324.375	GXTJCMNYOFNOBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054838
OCCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)OC(C)(C)C	SCHEMBL18367403	324.375	JDJNZJVLTZBCIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-054839
O=C(N[C@H]1CCOC[C@@H]1OCCO)c1nnc2n1CCCCC2	ZINC22_1565529176	324.375	CFDAHSJHEXENCB-RYUDHWBXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054840
O=C(OC(C)(C)C)N[C@H]1COc2c(N(C1=O)C)cnn2C(C)C	SCHEMBL18365972	324.375	NKXZBNRLSZDNCE-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-054841
OC(=O)N(C(C)(C)C)[C@H]1COc2c(N(C1=O)C)cnn2C(C)C	SCHEMBL19641577	324.375	BXPMOVMHVKMFBG-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-054842
c12CN(CCCn1nc(CO)c2)C(=O)Cn1c2ccccc2cc1	EMOLS-id_55692685,MCULE-6386467823,PC-id_91791294	324.377	WZIVOVKOTORTOG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054843
c1(cc2c(ccc(OC)c2)n1C)C(=O)N1CCCn2cncc2C1	MCULE-4637401073,PC-id_70705034,EMOLS-id_44697457,ZINC22_91416477	324.377	AGMVQZQJOTUKCL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054844
C1=C=Cc2c(C=C1)oc(n2)SSc1nc2c(o1)C=CC=C=C2	PC-id_144953865	324.377	GHAYTCUDMCAYSZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-054845
c1(C(=Cc2ccc(c(OCC)c2)O)C#N)nnc2CCCCCn12	MCULE-9093072403	324.377	OFPSVSSEAFXWPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054846
c1ccc(CO[C@@H]2CN(Cc3ccco3)Cc3ccnn3C2)nc1	ZINC22_253588668	324.377	NKBDBPDKVQUPML-GOSISDBHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054847
c1ccc(CO[C@H]2CN(Cc3ccco3)Cc3ccnn3C2)nc1	ZINC22_253588669	324.377	NKBDBPDKVQUPML-SFHVURJKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054848
c1(CC(=O)NCc2c3CCCCCc3[nH]n2)oc2c(cccc2)n1	EMOLS-id_232860167,ZINC22_827856339,MCULE-4759209060	324.377	YMPZJOXRCHXTHK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054849
c1cncc(OCc2ncn3c2CN(Cc2ccco2)CCC3)c1	ZINC22_96085068,EMOLS-id_46183157,PC-id_97405885	324.377	CVSJMFVUUQQCHU-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054850
c1cncc(OC[C@H]2CN(Cc3ccco3)Cc3ccnn3C2)c1	PC-id_97389597,ZINC22_96067280	324.377	DQMXATVCAHOSKF-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054851
c1cncc(OC[C@@H]2CN(Cc3ccco3)Cc3ccnn3C2)c1	PC-id_97389598,ZINC22_96067281	324.377	DQMXATVCAHOSKF-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054852
c1cncc(OC[C@H]2CN(Cc3ccco3)Cc3nccn3C2)c1	PC-id_97462390,ZINC22_96187942	324.377	DGAFXMZGKZBECO-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054853
c1cncc(OC[C@@H]2CN(Cc3ccco3)Cc3nccn3C2)c1	PC-id_97462391,ZINC22_96187943	324.377	DGAFXMZGKZBECO-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054854
c1cncc(OC[C@H]2CN(Cc3ccoc3)Cc3nccn3C2)c1	PC-id_97462398,ZINC22_96187950	324.377	JQTSUHZCTRAUPQ-INIZCTEOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054855
c1cncc(OC[C@@H]2CN(Cc3ccoc3)Cc3nccn3C2)c1	PC-id_97462402,ZINC22_96187954	324.377	JQTSUHZCTRAUPQ-MRXNPFEDSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054856
c1cn(c(=O)c(c2-c1nc(n2)N)Cc1cc(c(c(c1)C)OC)C)C	CHEMBL1277863,PC-id_49836960	324.377	UFNJZQPVHYSALD-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-054857
Cc1ccc(cc1)C(=O)N1C=C(C(=O)N)c2c(C(C1)(C)C)cn[nH]2	SCHEMBL19702781	324.377	MBLFKBSLNAWJMI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-054858
Cc1cc(C(=O)N2CCCc3occc3C2)c2c(C)nn(C)c2n1	MCULE-1416180616,ZINC22_289335161,PC-id_136543010,EMOLS-id_316832715	324.377	YOTUWINZHGUWOE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054859
Cc1c(C(=O)NCc2nnc3n2CCCCC3)oc2ccccc12	MCULE-3303566298,ZINC22_48343464,EMOLS-id_30730883,PC-id_47019771	324.377	WHKUTKDZCRGWQC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054860
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1NC(=O)c2c1cccc2	EMOLS-id_319644628	324.377	MVAUVYYPAPCYFA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054861
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CN1Cc2c(C1=O)cccc2	EMOLS-id_320231503,MCULE-7693155863	324.377	MMIMCTZRYAWEAL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054862
CC1CN(CCN2C(=O)c3c(C2=O)cccc3)Cc2c(C1)[nH]nc2	MCULE-2401033344,EMOLS-id_320097964	324.377	OGONTDFKXWCWJO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054863
C=CCNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_20964708,CoCoCo_2544503	324.377	PPBOKVDPRAYXGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054864
CCOc1cccc(c1)C(=O)C(c1nnc2n1CCCCC2)C#N	PC-id_51099363,MCULE-7195522213,EMOLS-id_32132229	324.377	TZCJDOBVESDXMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054865
CCOc1cc(ccc1O)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_2593221	324.377	OFPSVSSEAFXWPV-UVTDQMKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054866
CCOc1cc(/C=C(C#N)/c2nnc3CCCCCn23)ccc1O	PC-id_135580299,CoCoCo_2593220,EMOLS-id_26445635,CK1980440	324.377	OFPSVSSEAFXWPV-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054867
CCOc1cccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c1	PC-id_94811745,ZINC22_58281010	324.377	TZCJDOBVESDXMS-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054868
CCOc1cccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1	ZINC22_58281009,PC-id_94811744	324.377	TZCJDOBVESDXMS-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054869
COc1cccc2c1cc([nH]2)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320219353,MCULE-7545361035	324.377	LPOLFCLDOFLNAX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054870
COc1ccccc1[C@@H](C#N)NC(=O)c1n[nH]c2c1CCCCC2	PC-id_100695223,ZINC22_225605875	324.377	ZVEVFNCLULQFQN-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054871
COc1ccccc1[C@H](C#N)NC(=O)c1n[nH]c2c1CCCCC2	ZINC22_225605848,PC-id_100695215	324.377	ZVEVFNCLULQFQN-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054872
COc1ccccc1C(NC(=O)c1n[nH]c2c1CCCCC2)C#N	EMOLS-id_53795027,MCULE-4343999397,PC-id_119035102	324.377	ZVEVFNCLULQFQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054873
COc1ccc(c(c1)OC)C=C(c1nnc2n1CCCCC2)C#N	PC-id_4086851,MCULE-7700983253,EMOLS-id_44488173	324.377	LTBUOTHKYLYLGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054874
COc1ccc(c(c1)OC)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_47093636,CoCoCo_3456318	324.377	LTBUOTHKYLYLGK-UVTDQMKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054875
COc1ccc(c(c1)OC)/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_6006532,CoCoCo_3456317	324.377	LTBUOTHKYLYLGK-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054876
COC1=CC=C(C=CC1)NC(=O)C1=CCC=c2c(=C1)nnn2CC	PC-id_144523322	324.377	YGCKTAVDBCRUSH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-054877
C(Oc1cccnc1)C1CN(Cc2ccco2)Cc2ccnn2C1	EMOLS-id_46160923	324.377	DQMXATVCAHOSKF-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054878
C(Oc1cccnc1)C1CN(Cc2ccco2)Cc2nccn2C1	PC-id_118739772,EMOLS-id_44325975	324.377	DGAFXMZGKZBECO-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054879
C(Oc1cccnc1)C1CN(Cc2ccoc2)Cc2nccn2C1	EMOLS-id_44325979	324.377	JQTSUHZCTRAUPQ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054880
C(OC1CN(Cc2ccco2)Cc2ccnn2C1)c1ccccn1	EMOLS-id_50017946	324.377	NKBDBPDKVQUPML-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054881
COCc1ccc(cc1)C(=O)C(c1nnc2n1CCCCC2)C#N	MCULE-6476620218,EMOLS-id_48772767,PC-id_75466687	324.377	TWMFNLGUEZKKQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054882
COCc1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1	PC-id_93774870,ZINC22_41509606	324.377	TWMFNLGUEZKKQV-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054883
COCc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1	ZINC22_41509602,PC-id_93774867	324.377	TWMFNLGUEZKKQV-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054884
COCC1CN(Cc2nccn2C1)C(=O)c1ccc2[nH]ccc2c1	EMOLS-id_44325801	324.377	GLGXGTORBWVFRF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054885
COC[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)Cc2nccn2C1	PC-id_97462223,ZINC22_96187768	324.377	GLGXGTORBWVFRF-CYBMUJFWSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054886
COC[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)Cc2nccn2C1	ZINC22_96187769,PC-id_97462224	324.377	GLGXGTORBWVFRF-ZDUSSCGKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054887
COC(=O)C1CCc2n(CC1)c(nn2)Cc1c[nH]c2c1cccc2	MCULE-1346982274,PC-id_136557163,EMOLS-id_316954688	324.377	FRGACLWDCUBIIC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054888
COC(=O)C1CCc2n(CC1)c(nn2)Cn1ccc2c1cccc2	PC-id_136557116,EMOLS-id_316950349,MCULE-9600194257	324.377	FYIGHUKCVNAPIQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054889
COC(=O)[C@@H]1CCc2nnc(Cc3c[nH]c4ccccc34)n2CC1	ZINC22_601043611	324.377	FRGACLWDCUBIIC-GFCCVEGCSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054890
COC(=O)[C@H]1CCc2nnc(Cc3c[nH]c4ccccc34)n2CC1	ZINC22_601043612	324.377	FRGACLWDCUBIIC-LBPRGKRZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054891
COC(=O)[C@H]1CCc2nnc(Cn3ccc4ccccc34)n2CC1	ZINC22_601043623	324.377	FYIGHUKCVNAPIQ-AWEZNQCLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054892
COC(=O)[C@@H]1CCc2nnc(Cn3ccc4ccccc34)n2CC1	ZINC22_601043624	324.377	FYIGHUKCVNAPIQ-CQSZACIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054893
n1c(CNC(=O)Cc2c3ccccc3on2)c2c(CCCCC2)[nH]1	MCULE-1103762626,PC-id_77088501,ZINC22_215758174,EMOLS-id_49883763	324.377	JWSUDYKONPXHRE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054894
N#Cc1ccc(cc1)COCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319871809	324.377	GAQCEKKCBBIKSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054895
N#Cc1ccc(cc1)OCCn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_319055396	324.377	FLIZQBOURWJZLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054896
N#Cc1cccc(c1)OC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_318792002	324.377	UYCZAQKLMPNOEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054897
N#Cc1ccc(cc1)OC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319063788	324.377	UWJQWZJUTXTKJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054898
N#C/C(=Cc1cccc(c1OC)OC)/c1nnc2n1CCCCC2	CoCoCo_3456309,PC-id_6058520	324.377	RWDXKVIMQALADF-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054899
N#CC(=Cc1cccc(c1OC)OC)c1nnc2n1CCCCC2	EMOLS-id_44488169,MCULE-5130522436,PC-id_4285958	324.377	RWDXKVIMQALADF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054900
N#CC(=Cc1ccc(c(c1)OC)OC)c1nnc2n1CCCCC2	EMOLS-id_44488171,MCULE-7609823446,PC-id_5006422	324.377	SNCZXLYGPDXXKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054901
N#C/C(=Cc1ccc(c(c1)OC)OC)/c1nnc2n1CCCCC2	PC-id_6246179,CoCoCo_3456313	324.377	SNCZXLYGPDXXKU-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054902
N#C/C(=C/c1cccc(c1OC)OC)/c1nnc2n1CCCCC2	PC-id_75362028,CoCoCo_3456310	324.377	RWDXKVIMQALADF-KAMYIIQDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054903
N#C/C(=C/c1ccc(c(c1)OC)OC)/c1nnc2n1CCCCC2	PC-id_75362029,CoCoCo_3456314	324.377	SNCZXLYGPDXXKU-UVTDQMKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054904
O(C1=C/C(=C/C(=C/N3CCCCCC3=NN2)/C#N)/C=CC1=O)CC	PC-id_5896277	324.377	NLRLDTBADMXJQB-LQZBDKQGSA-N	00000011000011000111000000000010000000000000000000000000	31-01-054905
O(C1=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=CC1=O)CC	PC-id_6516954	324.377	NLRLDTBADMXJQB-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-054906
O(c1cc(C=C(c2n3CCCCCc3nn2)C#N)cc(OC)c1)C	PC-id_78650355	324.377	QICOHOWEGXAPIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054907
O(c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc(OC)c1)C	PC-id_8275423	324.377	QICOHOWEGXAPIU-RIYZIHGNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054908
O=C1N(CCCc2nn3CCCCCc3n2)C(=O)c2c1cccc2	PC-id_10592070	324.377	VVQUCXYWUYIMFY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054909
O=C(C1CCn2c(CC1)nnc2)NCc1c(C)oc2c1cccc2	EMOLS-id_316652887	324.377	BFISBWYUNNFUKD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054910
O=C([C@H](N1Cc2c(C1=O)cccc2)C)N1CCCc2c(C1)c[nH]n2	EMOLS-id_258138892	324.377	ZKKNOTZLUJTCAJ-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054911
O=C(N1CCc2c(CC1)nc[nH]2)Nc1ccc(cc1)C(=O)C1CC1	PC-id_142022546	324.377	VYVODNUXKVMKJR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-054912
O=C(N1CCCc2c(C1)cnn2C)CC1NC(=O)c2c1cccc2	EMOLS-id_278360800	324.377	BEEJTIIESYRTRQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054913
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)c(C)co2	EMOLS-id_101866485	324.377	GDOTWJGEQAMFJO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054914
O=C(NC1CC1)c1cnn2c1CN(C(=O)c1ccccc1)CCC2	EMOLS-id_313764303,ZINC22_585110758	324.377	AVVUEMOGTREFKT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-054915
O=C(NC1CC1)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_45107027	324.377	NZMBSMATXXZQIX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-054916
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1cnccc1	PC-id_90625594	324.379	MTGNAGVSISUUGF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054917
CCOC1CC(C1OC)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102171731	324.379	YCNMNRGCTVZQBS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-054918
COCC1OC(C)CN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_318995926	324.379	AEUGZRMQEQJLIU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054919
OCC1CN(CC(O1)(C)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102107132	324.379	UYZLNUDXWBVDPO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-054920
c12CN(CCCn1nc(CNc1nc(C)ccc1C#N)c2)C(=O)C	PC-id_70780804,ZINC22_82157653,EMOLS-id_44450059,MCULE-8034618573	324.38	VOEAUDJRUVCFFJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054921
c12C(=O)NCC(C)(C)Cc1[nH]c(CCn1c3ccccc3nn1)n2	PC-id_50948443,EMOLS-id_32368502,MCULE-1222561310,ZINC22_65370034	324.38	BFRZKVBDGOWRSK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054922
c12OC(Cc1c(nc(C)n2)C)CN1CCCn2nc(C#N)cc2C1	EMOLS-id_222793113,MCULE-4601309157	324.38	ORFCQWFDMOFGAU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054923
c1ccc(cn1)NCc1nnc2n1CCCN(C2)Cc1ccoc1	PC-id_97405595	324.38	DQYYMJGCEZFSAI-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-054924
c1(C(C)NC(=O)c2cc3c(cccc3)[nH]2)nnc2CCNCCn12	MCULE-5610698570,EMOLS-id_36466029,PC-id_56722708	324.38	PFSCIAGMNUGTBQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054925
c1(CN(C)C(=O)c2ccc3c([nH]nc3)n2)c2CCCCCc2[nH]n1	EMOLS-id_317878765,ZINC22_1775983934,PC-id_138810356,MCULE-6032145144	324.38	WDODVADEKBAJPW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054926
c1cnc(NCc2ncn3c2CN(Cc2ccco2)CCC3)nc1	PC-id_97519503,EMOLS-id_44370388,ZINC22_96259419	324.38	SEHGIGGFPDEDOU-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-054927
c1(C(=O)NC2CCc3n(c(nn3)C)CC2)c2ccccc2n(C)n1	PC-id_91910725,MCULE-1352157666	324.38	JOBMKXCMDFEZOX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054928
c1(C(=O)NCc2c3CCCCCc3[nH]n2)c(C)nc2ncccn12	MCULE-1418753301,EMOLS-id_222778518,ZINC22_670459161	324.38	NEBVCQQEZPPKAR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054929
c1(C(=O)NCc2c3CCCCCc3[nH]n2)cnc2n(ncc2)c1C	EMOLS-id_222771065,ZINC22_670452809,MCULE-2484858787	324.38	UZRDONJJCIHFQI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054930
c1(C(=O)NCc2nnc3CCCCCn23)cn2c(ccc(C)c2)n1	EMOLS-id_44734070,PC-id_70763484,ZINC22_91809138,MCULE-2156257398	324.38	WAJLVVMIEAZUHH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054931
c1(C(=O)NC(C)c2nnc3ccccn23)c2CCCCCc2n[nH]1	PC-id_75356965,MCULE-9510512561,EMOLS-id_50401780	324.38	RLLQTHBLTPFVCS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054932
c1(C(=O)NCCc2nnc3ccccn23)c2CCCCCc2n[nH]1	STOCK7S-47040,EMOLS-id_50402230,EMOLS-id_49248524,ZINC22_96231775,PC-id_75490120,MCULE-4192310903	324.38	MSDCIESTMFHYLE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054933
c1(C(=O)N[C@H](C)c2nnc3ccccn23)c2CCCCCc2[nH]n1	PC-id_75489458,EMOLS-id_49247046,MCULE-2061414535,ZINC22_96230916,STOCK7S-46283	324.38	RLLQTHBLTPFVCS-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054934
c1(C(=O)N[C@@H](C)c2nnc3ccccn23)c2CCCCCc2[nH]n1	PC-id_99829893,MCULE-9459632787,ZINC22_190099403,EMOLS-id_97675847	324.38	RLLQTHBLTPFVCS-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-054935
Cc1ccc2c(c1)nc([nH]2)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319170098	324.38	KRESWIZPBKXUHX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054936
Cc1ccc(cc1)n1ccc(n1)NCc1nnc2n1CCOCC2	PC-id_136552907	324.38	ULQWZIMBCIYHKG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054937
Cc1ccc(o1)c1cnnc(n1)NCc1[nH]nc2c1CCCCC2	CoCoCo_1170716,EMOLS-id_20428631,MCULE-5637018447,PC-id_42098199,CoCoCo_1170715	324.38	UKTNMOYPVRURAF-UHFFFAOYSA-N	00000000101000100101100000000010000000000000000000000000	31-01-054938
Cc1ccn2cc(C(=O)NCc3nnc4n3CCCCC4)nc2c1	MCULE-3856626389,EMOLS-id_31380196,ZINC22_57985048,PC-id_47019777	324.38	SOZLNYJHPDKYCG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054939
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)nc2c1c(C)n[nH]2	EMOLS-id_319412843	324.38	LZYDHWIYYOBPFI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054940
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)nc2n1nc(c2)C	EMOLS-id_319227493	324.38	QVZKUHNKZYVKGD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054941
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc2c(c1)c(C)nn2C	EMOLS-id_319118113	324.38	CECXOOTUXAAZAM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054942
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc2n(c1C)nc(c2)C	EMOLS-id_318882657	324.38	WGUCJSMHLBDRPD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054943
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn2c1nc(C)cc2C	MCULE-2367172980,EMOLS-id_320267336	324.38	QAFVPBZZCAUEKC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054944
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1n1cccc1)C	MCULE-5129415403,EMOLS-id_320209302	324.38	GLZQLLUYRYKTQD-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-054945
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1nc2c([nH]1)nccc2	MCULE-5943052607,EMOLS-id_319992779	324.38	HLPVTWFEDDVAQM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054946
Cc1nc2ccnn2c(c1C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101846341	324.38	KRYZCNQPJRMOJQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054947
Cc1nc2[nH]nc(c2c(c1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101671331	324.38	QFEVPGRTEUXYKQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054948
Cc1nc(C)c2c(n1)O[C@H](CN1CCCn3nc(C#N)cc3C1)C2	ZINC22_670473494	324.38	ORFCQWFDMOFGAU-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054949
Cc1nc(C)c2c(n1)O[C@@H](CN1CCCn3nc(C#N)cc3C1)C2	ZINC22_670473495	324.38	ORFCQWFDMOFGAU-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-054950
Cc1nc(CN2CCc3nnc(Cc4cccnc4)n3CC2)co1	MCULE-4744682704,EMOLS-id_43098637,PC-id_56892229,ZINC22_72145552	324.38	PVVAPZMXXNFEKF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054951
Cc1nn2c(c1)ncc(c2C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101669272	324.38	JCTQNXPGIDQJMD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054952
Cc1noc(c2ccnc(NCc3n[nH]c4c3CCCCC4)c2)n1	EMOLS-id_316185566,MCULE-4556962830,ZINC22_1529151255,PC-id_134704309	324.38	AFKYSLNXOKBVSA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-054953
CCc1[nH]c2c(n1)c(ccn2)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320068144,MCULE-3335065955	324.38	NNLIOWXWUFLECJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054954
C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2cnn3ccc(CN)cc23)C1	ZINC22_2325796005	324.38	LKDJDBPVPNRNEF-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054955
C[C@H]1Cc2n[nH]cc2CN(C(=O)c2cnn3ccc(CN)cc23)C1	ZINC22_2325796006	324.38	LKDJDBPVPNRNEF-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-054956
C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1nnc2n1CCNCC2	PC-id_95230273,ZINC22_67975777	324.38	PFSCIAGMNUGTBQ-NSHDSACASA-N	00000000100000100101000001100010000000000000000000000000	31-01-054957
C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1nnc2n1CCNCC2	PC-id_95230274,ZINC22_67975778	324.38	PFSCIAGMNUGTBQ-LLVKDONJSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054958
C[C@H](NC(=O)c1cn2ccccc2n1)c1nnc2n1CCCCC2	PC-id_93866912,ZINC22_42496907	324.38	WTKQKUARACCUSQ-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054959
C[C@@H](NC(=O)c1cn2ccccc2n1)c1nnc2n1CCCCC2	PC-id_93866913,ZINC22_42496908	324.38	WTKQKUARACCUSQ-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054960
CCn1nnc2c1ccc(c2)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319853081	324.38	PJESZRDPBVVGDG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054961
Cn1cccc1C(=O)N1CCc2ncc(Cn3cccn3)n2CC1	EMOLS-id_44328837,ZINC22_96196953,PC-id_97467097	324.38	BLOYZGOWUPQRHS-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-054962
Cn1cc(CN2Cc3cccn3C[C@@H](Oc3ncccn3)C2)cn1	ZINC22_585112693	324.38	TVEDBYOAZUMLHW-INIZCTEOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054963
Cn1cc(CN2Cc3cccn3C[C@H](Oc3ncccn3)C2)cn1	ZINC22_585112699	324.38	TVEDBYOAZUMLHW-MRXNPFEDSA-N	00000000100000100101000000000010000000000000000000000000	31-01-054964
Cn1cnc(c2cccc(OCc3nnc4n3CCCCC4)c2)n1	MCULE-5391903655,ZINC22_278738131,EMOLS-id_76042310,PC-id_121578506	324.38	VEEDHTQPTCBMST-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054965
Cn1ncc2c1CCCN(C(=O)NCc1ccc3cc[nH]c3n1)C2	ZINC22_413570285,EMOLS-id_316201764,MCULE-1910893955	324.38	BMOKARNDVXFASH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054966
Cn1nc(CC(=O)N[C@@H]2CNCc3nccn3C2)c2ccccc12	ZINC22_2325786375	324.38	GXMOYEMKZYEEQC-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054967
Cn1nc(CC(=O)N[C@H]2CNCc3nccn3C2)c2ccccc12	ZINC22_2325786376	324.38	GXMOYEMKZYEEQC-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054968
Cn1ncnc1c1ccc(OCc2nnc3n2CCCCC3)cc1	MCULE-3768192827,EMOLS-id_100830645,ZINC22_330338600	324.38	VPJBTYPVMVCUBN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054969
CN(C1CCc2nnc(C)n2CC1)C(=O)c1ccc2[nH]cnc2c1	MCULE-9254142075,EMOLS-id_97099811	324.38	OLQAJRIWHUWHJB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054970
CN(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(C#N)cc1	MCULE-2018169631,EMOLS-id_316839203,ZINC22_523763253	324.38	GUKSMEHXPMGPAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054971
CN(C(=O)c1cccc2n1ncc2)Cc1nnc2n1CCCCC2	EMOLS-id_319716516	324.38	ZCQPOYMEXXVRNV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054972
COc1ccccc1c1cn(Cc2nnc3n2CCCCC3)nn1	EMOLS-id_324016500,PC-id_146106803,ZINC22_900570801,MCULE-8126205905	324.38	KRSSFSQYSIKVQE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054973
COc1ccccc1n1ncc(c1)CN1CCn2c(CC1)nnc2	CoCoCo_1519956,CoCoCo_1519957,PC-id_28641200	324.38	UFJDEUDNDUIWJI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-054974
n12CCNCCc1nnc2CCNC(=O)c1cc2c(cccc2)[nH]1	MCULE-5353262434,PC-id_56708465,ZINC22_67770161,EMOLS-id_36436716	324.38	WHJTWNZLEMAABS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054975
n1(CC(=O)NCc2c3CCCCCc3[nH]n2)nc2c(cccc2)n1	ZINC22_670456462,EMOLS-id_222775412,MCULE-2022550535	324.38	LLGCQBXGDSUTCU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054976
N#Cc1ccc(cc1)C(NC(=O)N1CCCn2c(C1)cc(n2)N)C	MCULE-1835623699,EMOLS-id_320047187	324.38	GDEMKAHMMXKRRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054977
N#Cc1ccc(CCNC(=O)N2CCCn3nc(N)cc3C2)cc1	MCULE-2162855227,EMOLS-id_317033545,ZINC22_1615058448	324.38	ZVZSTRKCKOLQOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054978
N#Cc1ccc(nc1)NC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_278159403	324.38	DSGLDZXXLYIPKP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054979
N#Cc1nccc(c1)NC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319539735	324.38	NOTXPRINSUZDDT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054980
N#CCc1ccnc(c1)NC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_320020893,MCULE-5127904538	324.38	SQLOWDVQLVAYAO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-054981
O(c1ncc(c2nnn(Cc3n[nH]c4c3CCCCC4)c2)cc1)C	PC-id_72939224	324.38	ZBNWZJJIFKDNRR-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-054982
O=c1[nH]c(nn1Cc1nnc2n1CCCCC2)Cc1ccccc1	EMOLS-id_318904800	324.38	SHMVGIQJBIHXSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-054983
O=C(c1ccc2c(c1)nc([nH]2)N(C)C)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319510908	324.38	UKCBRRIAAJDLAQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054984
O=C(c1ccc2c(n1)[nH]cc2)NCCc1nnc2n1CCCCC2	EMOLS-id_99053876	324.38	KOXWTFSREIJFET-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054985
O=C(c1ccc2n(c1)ccn2)NCCc1nnc2n1CCCCC2	MCULE-8295345393,PC-id_53569801,EMOLS-id_36325742	324.38	RHTDBLWJHUWGMT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054986
O=C(c1cccc2c1[nH]c(c2C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102166312	324.38	FJZXKPXBHJIIGI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054987
O=C(c1cccc2c1[nH]nc2)NCCc1nnc2n1CCCCC2	EMOLS-id_98996012	324.38	MANWTBMQPYULMJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054988
O=C(c1cccc2n1ncc2)NCCc1nnc2n1CCCCC2	EMOLS-id_319918572,MCULE-6916582686	324.38	AEUCZQOPXKATDJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054989
O=C(C1CCn2c(CC1)nnc2)Nc1ccc2c(c1)nc(n2C)C	EMOLS-id_320037584,MCULE-7092822483	324.38	GEIFOLHOMJSCAP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054990
O=C(C1CCn2c(CC1)nnc2)NCc1ccc2c(c1)n(C)nc2	EMOLS-id_316782862	324.38	NYRROSBTJCQRHE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054991
O=C(C1CCn2c(CC1)nnc2)NCc1nn(c2c1cccc2)C	EMOLS-id_319335227	324.38	YMCPAIIKRXGQJR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054992
O=C(c1ccnc2c1cn[nH]2)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319135122	324.38	AMWLEIWCVHTPJB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054993
O=C(c1cnc2c(c1)[nH]nc2)N1Cc2cnn(c2CC(C1)(C)C)C	MCULE-6398510329,EMOLS-id_320240547	324.38	SJBCSPJGEWZOEG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054994
O=C(c1c[nH]c2c1nccc2)NCCc1nnc2n1CCCCC2	EMOLS-id_99926568	324.38	UBQIFIABNLMQGO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054995
O=C(c1c(N)nn2c1cccc2)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318833138	324.38	LJKWPQMLLHNVBB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054996
O=C(c1nc2n(c1)cccc2)NC(c1nnc2n1CCCCC2)C	PC-id_51079716,EMOLS-id_31935316,MCULE-9450587700	324.38	WTKQKUARACCUSQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054997
O=C(c1ncc2n1cccc2)NCCc1nnc2n1CCCCC2	EMOLS-id_320005276,MCULE-4939211496	324.38	HUSRCFXFNREGES-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-054998
O=C(c1[nH]c2c(c1)c(C)c(cc2)C)NC1CCn2c(CC1)nnn2	MCULE-2612457587,EMOLS-id_102158365	324.38	PIJBOQXAFLQVIP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-054999
O=C(c1nn2c(c1)nccc2)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_318036716	324.38	MAZKDKDCGVXAKH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055000
O=C(Cn1cc2c(n1)cccc2)NCc1nnc2n1CCCCC2	EMOLS-id_100305520	324.38	LNGPWYWOPAJEMZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055001
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Cn1ncc2c1cccn2	MCULE-9608861865,EMOLS-id_320005797	324.38	NANKCWKEGOPWCN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055002
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Cn1ncc2c1nccc2	EMOLS-id_319372152	324.38	LCZHWJXYLJSHHL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055003
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2n(c1)cc(n2)C	EMOLS-id_101947161	324.38	TWBFEAGVYYNENZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055004
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c2c1[nH]nc2)C	EMOLS-id_101947464	324.38	FMZBTSIXFNPGOE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055005
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(C)c2n(c1)ccn2	EMOLS-id_101854297	324.38	USPXOAOQTFLBAZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055006
O=C(N1CCCc2c(C1)cnn2C)NCc1ccn2c(c1)ncc2	EMOLS-id_101722851	324.38	GWGRRZYGVGSNGZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055007
O=C(N1CCCc2c(C1)cnn2C)NCc1nc2n(c1)cccc2	EMOLS-id_101721942	324.38	OZPMWLWCKDLTPF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055008
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc2c(c1)c(C)c[nH]2	EMOLS-id_318853224	324.38	WOWVYKASFRGZEA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055009
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc2c(c1)cc([nH]2)C	EMOLS-id_319191557	324.38	RAQFZONJUGQTPL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055010
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc2c(c1)n(C)cc2	EMOLS-id_320072713,MCULE-9652262907	324.38	BCQDOBSLSKKRPA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055011
O=C(N1CCCn2c(C1)cc(n2)N)NCc1cccc2c1[nH]cc2	EMOLS-id_318805733	324.38	NNFZKJUONRPLMI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055012
O=C(Nc1cc2[nH]ncc2cc1)CCc1nn2CCCNCc2c1	PC-id_70744373	324.38	WIBNKBYQCIBUQC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055013
O=C(NCc1n2CCCCCc2nn1)c1n[nH]c2c1cc(cc2)C	PC-id_78868810	324.38	JEURYCVPNLJYPJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055014
O=C(NCCc1n2CCCCCc2nn1)Nc1c(cccc1)C#N	PC-id_60499234	324.38	LKSWZEURWKBAQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055015
Cc1cnnn1Cc1nnn2c1CN(Cc1ccccn1)CCC2	CHEMBL3551522,ZINC22_96259563,EMOLS-id_44370674,PC-id_97519645	324.384	UIHKSWAYBHNCON-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055016
c1(NC(=O)CCCC(=O)O)sc2c(CCCCC2)c1C(=O)N	CK1502993,PC-id_5196358,MCULE-9533175243,ZINC22_4144050,EMOLS-id_1132286,CoCoCo_6708621	324.395	QBPWLJAMBZVDIM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055017
c1(NC(=O)CCC(=O)O)sc2c(CCCCCC2)c1C(=O)N	TIMTEC280618,CoCoCo_6819663,PC-id_4197326,EMOLS-id_4007241,ZINC22_5725566,MCULE-9367569922	324.395	LCPAXGIORDOMBU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055018
C[C@@H](OC(=O)c1cc2c(s1)CCCCCC2)C(=O)NC(=O)N	PC-id_7618493,ZINC22_5302474	324.395	QCGSNYDEGZDSLI-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055019
C[C@H](OC(=O)c1cc2c(s1)CCCCCC2)C(=O)NC(=O)N	ZINC22_5302465,PC-id_7618486	324.395	QCGSNYDEGZDSLI-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-055020
CCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CCCCC2	ZINC22_5362033,PC-id_7649956,CoCoCo_2861364,MCULE-1977882420,EMOLS-id_3612165	324.395	QHKVLWJXSSVCLZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055021
CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCCC2	ZINC22_13878679,PC-id_92461031	324.395	PKVWMYUJDLQWTP-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-055022
CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCCCC2	ZINC22_8696095,PC-id_92343148	324.395	PKVWMYUJDLQWTP-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055023
CNC(=O)NC(=O)C(OC(=O)c1cc2c(s1)CCCCC2)C	MCULE-4964914759,EMOLS-id_42643684,CHEMBL1500470,PC-id_15945194	324.395	PKVWMYUJDLQWTP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055024
CNC(=O)NC(=O)COC(=O)c1cc2c(s1)CCCCCC2	ZINC22_5302387,EMOLS-id_43708943,PC-id_7618426,MCULE-3756899994	324.395	CMAMMCJXBKGJKN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055025
NC(=O)NC(=O)C(OC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_16512673,MCULE-1013429150,EMOLS-id_31833539	324.395	QCGSNYDEGZDSLI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055026
O=C1N(CCCc2c1sc(c2C(=O)O)N)CC1CCCCO1	PC-id_143679396	324.395	XSIQPXQQMHATDS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-055027
O=C(c1noc2c1CCCCC2)NC1(CCSCC1)C(=O)O	PC-id_120531198,EMOLS-id_57630981,MCULE-6090024360	324.395	RJNUCSZMKLJWEO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055028
O=C(N1[C@@H]2CC[C@@H](C2)CS1(=O)=O)c1noc2c1CCCCC2	MCULE-7419681721,EMOLS-id_320202185	324.395	XIHZYYYPZDIVIK-WDEREUQCSA-N	00000010100010000101000000000110000000000000000000000000	31-01-055029
OC(=O)CC1CSCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_57599847,MCULE-4714068372,PC-id_120520642	324.395	RRMIYMCYRHJFDK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055030
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC(=O)NC	PC-id_9403137	324.395	RHDXIRCXBKEGHG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055031
s1c2c(CCCCC2)c(c1NC(=O)CC)C(=O)NC(=O)OC	PC-id_7521882	324.395	GVSALUWNTGDFOA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055032
s1c2c(CCCCC2)c(c1NC(=O)C)C(=O)NCCC(=O)O	PC-id_82033608	324.395	KJHGJWXKDPHOIB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055033
s1c2c(CCCCC2)c(c1NC(=O)C)C(=O)NC(=O)OCC	PC-id_7521908	324.395	ASDIENGLIFDGPQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055034
s1c2CCCCCCc2cc1C(=O)OCC(=O)NNC(=O)C	PC-id_7618125	324.395	CICBGZUQIJGLQN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055035
s1c2c(CCN(C=C(C2)C(=O)OC)C)c(c1N)C(=O)OCC	PC-id_45024505	324.395	YRIGVKKGGBJABK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-055036
CC(=O)N1CCS(=O)(=O)c2c(C1)cc(s2)S(=O)(=O)N	PC-id_19106465,SCHEMBL9429625	324.397	CNRDIRRFVMIOQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055037
[n+]1(Cc2ccccc2)ccc(/N=N/c2c3-c(cc2)ccccc3)cc1	PC-id_10905541	324.398	NVFROCRFSQAYGF-UHFFFAOYSA-N	00000010100000111110000000000010000000000000000000000000	31-01-055038
[n+]1(Cc2ccccc2)cc(/N=N/c2c3-c(cc2)ccccc3)ccc1	PC-id_11111163	324.398	CUFTWFHGHGLUOE-WCWDXBQESA-N	00000010100000111110000000000010000000000000000000000000	31-01-055039
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccoc1	ZINC22_91997261,EMOLS-id_46090563,MCULE-7077121764,PC-id_72927965	324.399	FMSTXGPEGXKQHK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055040
c1(cn2c(CCNCC2)n1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC2	ZINC22_2100477590,MCULE-7635537734,EMOLS-id_337671358	324.399	BZVXTIWNQIRKFG-CMPLNLGQSA-N	00000010100000000101000000000110000000000000000000000000	31-01-055041
Cc1noc(C)c1S(=O)(=O)NCc1n[nH]c2c1CCCCC2	MCULE-1884035580,ZINC22_670462005,EMOLS-id_222782041	324.399	IHELOFMXHXHZSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055042
CCOC1CN(Cc2cccn2C1)S(=O)(=O)c1cn(C)cn1	EMOLS-id_50007972	324.399	RETKCAITOIKCKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055043
CCO[C@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2cccn2C1	ZINC22_248051920	324.399	RETKCAITOIKCKU-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055044
CCO[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2cccn2C1	ZINC22_248051926	324.399	RETKCAITOIKCKU-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055045
CCOC(=O)C1CSCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278791596	324.399	OUCHQNAOCPNVRU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055046
CNC(=O)N1CCc2c(CC1)nc(s2)C(=O)N1CCOCC1	PC-id_97524716	324.399	CBRPBVZAGUKJEO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055047
CS(=O)(=O)NCC1CCn2nccc2CN1Cc1ccco1	EMOLS-id_313815593	324.399	BGHMQVKDBKTAFD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055048
CS(=O)(=O)NCc1cnc2CCN(Cc3ccco3)CCn12	CHEMBL3552866,EMOLS-id_44328961,PC-id_97467158,ZINC22_96197014	324.399	ZYMJTJSQACEOJO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055049
CS(=O)(=O)NCc1cnc2CCN(Cc3cocc3)CCn12	PC-id_97467160,CHEMBL3552867	324.399	AAPGKZBGBYGLDB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055050
CS(=O)(=O)NCc1nn2c(c1)CN(CCC2)Cc1ccco1	EMOLS-id_44443233,MCULE-8166228022,PC-id_70761152	324.399	GCKMWZYNZWTUFP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055051
CS(=O)(=O)NC[C@H]1CCn2nccc2CN1Cc1ccco1	ZINC22_585096724	324.399	BGHMQVKDBKTAFD-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055052
CS(=O)(=O)NC[C@@H]1CCn2nccc2CN1Cc1ccco1	ZINC22_585096725	324.399	BGHMQVKDBKTAFD-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055053
S=C(NC1(C)C=Cc2c(C=C1)cn[nH]2)NC(=O)c1ccccc1	PC-id_143370384	324.4	VCZFXOXMSHUMPG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-055054
Cc1nnc2n1CCC(CC2)N(C)S(=O)(=O)c1cn(cn1)C	PC-id_91922640	324.402	OTNMFOVGTFCTNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055055
Cc1nn(c(n1)C)CC1Cn2ccnc2CN(C1)S(=O)(=O)C	PC-id_118739258	324.402	UEVMZXXMSDRCAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055056
CCCS(=O)(=O)N1Cc2nccn2C[C@H](Cn2cncn2)C1	PC-id_97463095,ZINC22_96188662	324.402	ZSUHTFOGVWKTHM-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055057
CCCS(=O)(=O)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_96188663,PC-id_97463096	324.402	ZSUHTFOGVWKTHM-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055058
CCCS(=O)(=O)N1CCc2ncc(Cn3cncn3)n2CC1	EMOLS-id_44328955,ZINC22_96197011,PC-id_97467155	324.402	UYCHXHFHAFHQDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055059
CCCS(=O)(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	PC-id_118740747,EMOLS-id_44326503	324.402	ZSUHTFOGVWKTHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055060
CCn1nc(c(c1C)S(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_319190747	324.402	PQSDQDZMULQPGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055061
Cn1ncc(n1)S(=O)(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319852998,MCULE-3960813327	324.402	CNURAKBTCODZNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055062
Cn1nnc(c1)S(=O)(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319971005,MCULE-6781479774	324.402	JMDXXLQQCIIMMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055063
CC(CCS(=O)(=O)Nc1nc2c(s1)CCCCC2)(F)F	EMOLS-id_320258137,MCULE-5468548907	324.41	LSLBGNZEAJTULQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055064
c1ccc(cc1)COc1ccc(cc1)Cc1cc2-c(c1)ccccc2	PC-id_141130846	324.415	UFSPVYPKYDXFQE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-055065
CC(=O)C(c1ccc2-c1ccccc2)(c1ccc2-c1ccccc2)C	PC-id_101787876	324.415	RJCPHJLEXHMSOF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055066
O=C(c1c2-c(c(cc(cc2C)C)C)cc1)c1c2-c(cc1)ccccc2	PC-id_86169996	324.415	DIMUROOUSDMGGT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055067
COc1cccc(c1)Cn1ccc2c1C(=O)/C(=C/N(C)C)/CCC2	PC-id_122705205,SCHEMBL18250019	324.417	WRGVFMHUMRYDGW-SAPNQHFASA-N	00000000100000110100000000000010000000000000000000000000	31-01-055068
COc1ccc(cc1)Cn1ccc2c1C(=O)/C(=C/N(C)C)/CCC2	PC-id_122705208,SCHEMBL18250023	324.417	YQFDOPCFPXVSOV-SAPNQHFASA-N	00000000100000110100000000000010000000000000000000000000	31-01-055069
O=C(Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)CN1CCC1=O	PC-id_122376556	324.417	WGHMOLCJOYFMAZ-UHFFFAOYSA-N	00001010100000000110000000000010000000000000000000000000	31-01-055070
OC(=O)C1=C(c2n(CCC1)cnc2)Cc1ccc(C(C)(C)C)cc1	SCHEMBL3959181,PC-id_25213790	324.417	LRRLWUWVKRCZKI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-055071
N#Cc1c(NC(=O)CSCC(=O)O)sc2c1CCCCC2	PC-id_115569412	324.418	OFUAFPMVRHEJGU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055072
CCC(C)(C)NC(=O)CN1CCCn2nc(cc2C1)C(O)CO	PC-id_91773282,MCULE-7854805345,EMOLS-id_55640340	324.419	RODHKXHSUVDLRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055073
CCC(C)(C)NC(=O)CN1CCCn2nc([C@@H](O)CO)cc2C1	ZINC22_219779987,PC-id_100047176	324.419	RODHKXHSUVDLRY-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055074
CCC(C)(C)NC(=O)CN1CCCn2nc([C@H](O)CO)cc2C1	ZINC22_219780050,PC-id_100047179	324.419	RODHKXHSUVDLRY-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055075
CC(CC(CNC(=O)Cn1nc2n(c1=O)CCCCC2)(C)C)O	PC-id_111480648	324.419	ACSPVQRTKFKZBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055076
CCCC(CNC(=O)Cn1nc2n(c1=O)CCCCC2)CCO	PC-id_111662360	324.419	SHOVFLXBLMEPHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055077
CCC(C(CNC(=O)Cn1nc2n(c1=O)CCCCC2)O)CC	PC-id_111115994	324.419	BEFMMTMPBWLWET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055078
CCC(C(CNC(=O)Cn1nc2n(c1=O)CCCCC2)(O)C)C	PC-id_111446412	324.419	GPXWXLHKXBHSCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055079
CCC(CNC(=O)Cn1nc2n(c1=O)CCCCC2)(CO)CC	PC-id_112437471	324.419	RBJDCVOAZLZRQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055080
CC(C)(C)OC(=O)N1CCCc2nn(c(c2C1)OCCCN)C	PC-id_136590240	324.419	IGBFVDIHIIHPML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055081
C[C@@H](COc1c2CN(CCCc2nn1C)C(=O)OC(C)(C)C)N	PC-id_136590231	324.419	YLFWPFGEGZBSDG-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-055082
CCOCc1nnc2n1CCN(C(=O)OC(C)(C)C)C(C)(C)C2	MCULE-6517828755,PC-id_136557191,ZINC22_865215265,EMOLS-id_316954178	324.419	MUYZMCMXARRNMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055083
COC1CN(CCc2c(C1OC)n(nn2)C(C)C)C(=O)C(C)C	PC-id_118565725,SCHEMBL17322929	324.419	KRCYNONIZZDYPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055084
COC1C(OC)CN(CCc2c1nnn2C(C)C)C(=O)C(C)C	SCHEMBL17322922,PC-id_118565718	324.419	LDBZGVOCFROCLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055085
OCC(CC(C)(C)C)NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_109943839	324.419	UBWFXLAEXSWOCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055086
c12C(=O)NCCCc1[nH]c(CC1CCN(Cc3ccccc3)C1)n2	PC-id_50961987,EMOLS-id_32394420,MCULE-7771084795	324.42	FCZRUWKZEGVAIV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-055087
c1(c2CCCCCc2[nH]n1)C(=O)N1CCCC[C@H]1c1cccnc1	MCULE-7958622321,STOCK1N-87354,EMOLS-id_50594396,EMOLS-id_317487395,PC-id_100003062	324.42	ZHLUKQHYEZCUSZ-KRWDZBQOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-055088
c1(C(=O)N2Cc3c(cccc3)C2)cc2n(CCCN(C(C)C)C2)n1	EMOLS-id_36467477,MCULE-4108648982,ZINC22_71278725,PC-id_56723416	324.42	CUZMTFOYOWYYQC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055089
c1(C(=O)N2CCN(CC2)c2ccccc2)c2CCCCCc2n[nH]1	PC-id_75489705,EMOLS-id_50401195,EMOLS-id_49247588,STOCK7S-46561,MCULE-9540692767,ZINC22_96231240	324.42	JTGFTRSWBJDMCZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055090
c1(C(=O)Nc2ccc(cc2)N2CCCC2)c2CCCCCc2[nH]n1	MCULE-9426297798,EMOLS-id_335035468	324.42	UGGPXEBJDXWFLU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055091
c1(C(=O)N(C)C2Cc3c(cccc3)C2)cc2n(CCCN(C)C2)n1	EMOLS-id_36442138,PC-id_56711072,MCULE-9953805783,ZINC22_67855645	324.42	ANXJCMXLVGSTGX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055092
CC1CN(Cc2c(C1)[nH]nc2)C(c1ccccc1)C(=O)NC1CC1	EMOLS-id_320070436,MCULE-4018917971	324.42	SSOXPSLENPFIDB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055093
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)N1CCCC1	EMOLS-id_320172621,MCULE-2889978176	324.42	GCHGHSSKGHFICN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055094
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCN(C1)c1ccccc1	EMOLS-id_319392478	324.42	DZVOIWCXSAYYMG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055095
CC1CN(CCC(=O)N2CCc3c2cccc3)Cc2c(C1)[nH]nc2	EMOLS-id_319097149	324.42	CDXIRAKVNABKIG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055096
CC1CN(CC(=O)N2C(C)Cc3c2cccc3)Cc2c(C1)[nH]nc2	MCULE-3078684653,EMOLS-id_319836597	324.42	UTXOHFFOAVUOLZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055097
Cc1[nH]c2c(CN3CCCn4nc(CO)cc4C3)cccc2c1C	MCULE-9260975313,PC-id_91788443,EMOLS-id_55684203	324.42	HHJPLNHMHQRMKK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055098
Cc1oc2c(n1)c(ccc2)CN1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319849871,MCULE-2610514924	324.42	DCTHMMZMVGHYNE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055099
CCC(=C)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_319669561	324.42	HAUHMIFUZXYEFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055100
CC(=C)CN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1	EMOLS-id_319207919	324.42	CPILSYRRKNZNTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055101
CC(=CC(=O)N1CCc2nnc(CCc3ccccc3)n2CC1)C	ZINC22_67883647,MCULE-5050116940,PC-id_56711811,EMOLS-id_36443660	324.42	HRYNXTHNOUZYQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055102
C=CC(C(=O)N(Cc1nnc2n1CCCCC2)C)c1ccccc1	EMOLS-id_319214166	324.42	FJWNPRKOBGIJED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055103
CC[C@H](c1nn2c(c1)CN(CCC2)Cc1cccc2c1[nH]cc2)O	PC-id_100017023	324.42	QZYNWHPRMASHMG-GOSISDBHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055104
CC[C@@H](c1nn2c(c1)CN(CCC2)Cc1cccc2c1[nH]cc2)O	PC-id_100017026	324.42	QZYNWHPRMASHMG-SFHVURJKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055105
C=CCN(C(=O)C1CCn2c(CC1)nnc2)CCc1ccccc1	MCULE-9829295025,EMOLS-id_319902807	324.42	VVLDUUUXAUWQBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055106
CCC(O)c1cc2CN(Cc3cccc4cc[nH]c34)CCCn2n1	PC-id_90647779,EMOLS-id_50527445,MCULE-9356085366	324.42	QZYNWHPRMASHMG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055107
C#CCOc1ccccc1CNCCc1nnc2n1CCCCC2	PC-id_119111948	324.42	KBIZXNALOQDIBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055108
C[C@H](c1nn2c(c1)CN(CCC2)Cc1ccc2c(c1)n(C)cc2)O	PC-id_99990344	324.42	IPSAMCKZGPZORM-CQSZACIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055109
C[C@@H](c1nn2c(c1)CN(CCC2)Cc1ccc2c(c1)n(C)cc2)O	PC-id_99990349	324.42	IPSAMCKZGPZORM-AWEZNQCLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055110
C[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1nnc2n1CCCCC2	ZINC22_29254456	324.42	LDFQRYGBTZEYCT-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055111
C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1nnc2n1CCCCC2	ZINC22_29254459	324.42	LDFQRYGBTZEYCT-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055112
CC(N(C(=O)C1CCn2c(CC1)nnc2)C1CC1)c1ccccc1	EMOLS-id_278112314	324.42	QETMVEVKJIFLFT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055113
CC(O)c1cc2CN(Cc3ccc4ccn(C)c4c3)CCCn2n1	PC-id_91791320,MCULE-8159772700,EMOLS-id_55692761	324.42	IPSAMCKZGPZORM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055114
CN(C(=O)C1CCn2c(CC1)nnc2)CC1(CC1)c1ccccc1	EMOLS-id_316610146	324.42	YBOZSGDTBQMNCF-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-055115
n12CCCNCc1cc(CCC(=O)Nc1cccc3CCCc13)n2	MCULE-1872957008,EMOLS-id_43133463,ZINC22_72435981,PC-id_70749657	324.42	XKARFMKLGYGMQA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055116
n12CCCNCc1cc(CNC(=O)CC1CCc3ccccc13)n2	MCULE-9804246711,PC-id_70748482,EMOLS-id_44438863	324.42	GFUZEFVICKJHBY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055117
NCCC1CN(c2c1cccc2)C(=O)c1cnc2n1CCCCC2	EMOLS-id_318713547,MCULE-3580952577	324.42	SLMQNVZRWFIISI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055118
O=C1NCCCc2[nH]c(C[C@H]3CCN(Cc4ccccc4)C3)nc12	PC-id_95126362,ZINC22_65398533	324.42	FCZRUWKZEGVAIV-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-055119
O=C1NCCCc2[nH]c(C[C@@H]3CCN(Cc4ccccc4)C3)nc12	PC-id_95126363,ZINC22_65398534	324.42	FCZRUWKZEGVAIV-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-055120
O=C(C1(CC1)Nc1ccccc1)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316656848	324.42	MPSQRJVUCSNKLW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055121
O=C(C1Cc2c1cccc2)NCCCc1nnc2n1CCCCC2	MCULE-4040820202,EMOLS-id_313170692	324.42	WUKVWESJQWLCOP-UHFFFAOYSA-N	00001000100000100101001000000010000000000000000000000000	31-01-055122
O=C(c1ccc2c(c1)CCC2)NC(c1nnc2n1CCCCC2)C	MCULE-4976044522,EMOLS-id_45746745,PC-id_71898647	324.42	LDFQRYGBTZEYCT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055123
O=C(c1ccc(c2c1CCC2)C)NCc1nnc2n1CCCCC2	EMOLS-id_101193436	324.42	OAFQQILCQIUPLI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055124
O=C(c1cccc2c1CCC2)NCCc1nnc2n1CCCCC2	EMOLS-id_98388859	324.42	QJIIHXIPPOWNBB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055125
O=C(c1ccccc1)N1CCc2n(CC1)c(cn2)CN1CCCC1	PC-id_97390199	324.42	CUNRBMCSTGZXCO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-055126
O=C(c1ccccc1)N1CCCn2cnc(CN3CCCC3)c2C1	PC-id_97519366,ZINC22_96259282,EMOLS-id_44370108	324.42	JJBAACWZTYIWEX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-055127
O=C(C1CCn2c(CC1)nnc2)NC1CC(C1)(C)c1ccccc1	EMOLS-id_319881331,MCULE-2494467943	324.42	SYTLISNOWZQOIQ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-055128
O=C(C1CCn2c(CC1)nnc2)NC1CC(c2c1cccc2)(C)C	MCULE-6127578270,EMOLS-id_320187021	324.42	ZOPMDIPFTYKYMJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055129
O=C(C1CCn2c(CC1)nnc2)NC(C1CC1)Cc1ccccc1	MCULE-2992818988	324.42	USKNMSLEPBDOEO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055130
O=C(C1CCn2c(CC1)nnc2)NC(c1ccccc1C)C1CC1	EMOLS-id_320284544,MCULE-4759911195	324.42	MNXWERSWMXIYBN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055131
O=C(c1cnc2n1CCCCC2)N1CCC(C1)Nc1ccccc1	EMOLS-id_318483997,MCULE-1328543289	324.42	WUTBRLIHARCERB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-055132
O=C(c1cnc2n1CCCCC2)N[C@@H]1CNC[C@H]1c1ccccc1	EMOLS-id_319688121	324.42	LJPVZVPJYNPOIJ-JKSUJKDBSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055133
O=C(c1n[nH]c2c1CCCCC2)N1CCCC(C1)c1ccncc1	EMOLS-id_316202240,MCULE-6596229562	324.42	ZUJYAIJLXHXEKI-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-055134
O=C(c1n[nH]c2c1CCCCC2)N1CCCCC1c1cnccc1	MCULE-8096369959,CNP0191615	324.42	ZHLUKQHYEZCUSZ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-055135
O=C(c1n[nH]c2c1CCCCC2)N1CCC[C@H](c2ccncc2)C1	ZINC22_584748123	324.42	ZUJYAIJLXHXEKI-HNNXBMFYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-055136
O=C(c1n[nH]c2c1CCCCC2)N1CCC[C@@H](c2ccncc2)C1	ZINC22_584748132	324.42	ZUJYAIJLXHXEKI-OAHLLOKOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-055137
O=C(C[C@H]1CCc2ccccc12)NCc1cc2n(n1)CCCNC2	PC-id_96576813,ZINC22_82120523	324.42	GFUZEFVICKJHBY-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055138
O=C(C[C@@H]1CCc2ccccc12)NCc1cc2n(n1)CCCNC2	ZINC22_82120524,PC-id_96576814	324.42	GFUZEFVICKJHBY-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055139
O=C(N1CC(c2c1cccc2)C(C)C)C1CCn2c(CC1)nnc2	EMOLS-id_319352124	324.42	IKGBVLZTCIIAGV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055140
O=C(N1CCCc2c(C1)cnn2C)NC1CC(C1)c1ccccc1	EMOLS-id_101725110	324.42	UYUJBUYPTCFOKV-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-055141
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)C1CCC1	EMOLS-id_101868093	324.42	LPWZDZFXKVRXJC-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-055142
O=C(N1CCCc2c(C1)cnn2C)N[C@@H]1C[C@H](C1)c1ccccc1	EMOLS-id_101714030	324.42	UYUJBUYPTCFOKV-JCNLHEQBSA-N	00001000100000110101100000000010000000000000000000000000	31-01-055143
O=C(NCc1n2CCCCCc2nn1)C1(CCC1)c1ccccc1	PC-id_24676741	324.42	MIHIXDQJWMCFBQ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-055144
O=C(NCc1n2CCCCCc2nn1)/C=C/c1c(cc(cc1)C)C	PC-id_24676720	324.42	JOFVZNGCIWDVAF-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055145
O=C(NCc1n2CCCCCc2nn1)C=Cc1c(cc(cc1)C)C	PC-id_74311145	324.42	JOFVZNGCIWDVAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055146
O=C(NCCc1nnc2n1CCCCC2)C1(c2ccccc2)CC1	EMOLS-id_48989645,MCULE-7880795533,ZINC22_96402288,PC-id_72029018	324.42	IOGFYIPVNDUYRG-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-055147
O=C(NCCCc1nnc2n1CCCCC2)[C@H]1Cc2ccccc12	ZINC22_607907909	324.42	WUKVWESJQWLCOP-INIZCTEOSA-N	00001000100000100101001000000010000000000000000000000000	31-01-055148
O=C(NCCCc1nnc2n1CCCCC2)[C@@H]1Cc2ccccc12	ZINC22_607907910	324.42	WUKVWESJQWLCOP-MRXNPFEDSA-N	00001000100000100101001000000010000000000000000000000000	31-01-055149
c12CN(CCCn1nc(CNc1ccc(cn1)C#N)c2)CC(C)C	MCULE-8849482901,ZINC22_82115735,EMOLS-id_44437457,PC-id_70744331	324.423	AZOJFFQJOXVLBM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055150
c12CN(CCCn1nc(CNc1ncccc1C#N)c2)CC(C)C	PC-id_70775084,ZINC22_82147290,MCULE-8562720595,EMOLS-id_44448051	324.423	HMFXYYOIXXFZEX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055151
Cc1ccc2nc(CNCc3nnc4CCCCCn34)[nH]c2c1C	ZINC22_67847468,PC-id_50964436,EMOLS-id_32399026,MCULE-8186552412	324.423	JZGRYBCYPQMGFQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055152
CC1CN(Cc2cnc3c(c2)cnn3C(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_318890402	324.423	APLJIRLWQVYUSZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055153
CCn1c(CNCc2nnc3n2CCCCC3)nc2ccccc12	MCULE-8585237342,PC-id_45914927,ZINC22_40154940	324.423	RIRQVARXHBWKCJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055154
CN=C(N1CCc2c1cccc2)NCc1nnc2n1CCCCC2	PC-id_110984790	324.423	XDIZJQVCIULXER-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055155
N#Cc1ccc(nc1NCc1nnc2n1CCCCC2)C(C)(C)C	MCULE-1493658503,EMOLS-id_318577597	324.423	WRGJINYLZIWHNS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055156
NC(=NCc1nnc2n1CCCCC2)Nc1ccc2c(c1)CCC2	PC-id_111031932	324.423	RDLXTEJOOHPEJT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055157
S(c1n2CCCCCc2nn1)Cc1nc(sc1)C(=O)NN	PC-id_63581726	324.425	KRUAYYBLEZSDBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055158
CC1=CC=c2c(=C(CC1)CCCCc1ccc(cc1)F)c(n[nH]2)C	PC-id_91566482	324.435	QEGXNYCDBXFHKZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-055159
CCC1CCC2C3(C1N3CCc1c[nH]c3=CCC(=CC=c13)F)C=C2	PC-id_144539695	324.435	CBXWCFBZDRGENH-UHFFFAOYSA-N	00101100100010000110000000000010000000000000000000000000	31-01-055160
c1(NC(=O)CN(C)C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-6659079188,CoCoCo_679470,PC-id_2860898,EMOLS-id_2367172,ZINC22_5018607	324.438	KKJIXFQQVJNBTH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055161
Cc1nc2c(s1)N(CCCC2)C(=O)C1(C)COC(OC1)(C)C	EMOLS-id_319109824	324.438	PQCRDLVJESALCO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055162
CC(=O)CCc1nc2c(s1)CCN(CC2)C(=O)OC(C)(C)C	PC-id_145589071	324.438	AMTZMDYCBXJMAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055163
CCOC(=O)c1c(sc2c1CCCCC2)N(C(=O)N)C(C)C	PC-id_20144452,SCHEMBL10660775	324.438	ONPRVABWOKYLNS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055164
CC(=O)Nc1nc2c(s1)CCC(CC2)CC(=O)OC(C)(C)C	PC-id_145588087	324.438	ZZGXSQQKOYRDQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055165
COCC(C1CCCO1)NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318311863	324.438	DNGMMXOMILAXNE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-055166
COC[C@@](C)(NC(=O)c1cc2c(s1)CCCCCC2)C(=O)N	PC-id_99774055,ZINC22_169984807	324.438	WFTUWSOQKRLZGN-MRXNPFEDSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055167
COC[C@](C)(NC(=O)c1cc2c(s1)CCCCCC2)C(=O)N	ZINC22_169984809,PC-id_99774056	324.438	WFTUWSOQKRLZGN-INIZCTEOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055168
COCC(C(=O)N)(NC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_102554520,EMOLS-id_50320282,MCULE-2336764662	324.438	WFTUWSOQKRLZGN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055169
OCC1(COCCN1)CNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_320122943,MCULE-8547129270	324.438	KZIQPGDCTSEPNR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055170
O=C(c1noc2c1CCCCC2)N1CCS(=O)C(CC1)(C)C	EMOLS-id_101556512	324.438	OLTMNBPAVBUEQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055171
O=C(CC(C(C)C)O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_112389389	324.438	HANLSZHNLKKQCL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055172
s1c2CCCCCCc2cc1C(=O)NCCNC(=O)OCC	PC-id_56557917	324.438	SKCPHQIYRVJVDA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055173
s1c2CCCCCCc2cc1C(=O)NCC(=O)NCCOC	PC-id_60310635	324.438	SDRKMSQZPSBIRX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055174
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@@H](OCC)C	PC-id_52608720	324.438	FAINTUJINQDTAM-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-055175
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@H](OCC)C	PC-id_52608721	324.438	FAINTUJINQDTAM-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055176
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(OCC)C	PC-id_75881255	324.438	FAINTUJINQDTAM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055177
s1c2c(CCCCCC2)c(c1NC(=O)CN(C)C)C(=O)OC	PC-id_22200546	324.438	MZPJQJHKQSELEM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055178
c1(NC(=O)c2ccccc2C)sc2c(CCCCCC2)c1C#N	CoCoCo_6920541,MCULE-1406459328,SPECS-id_AK-968/12514134,ZINC22_483809,EMOLS-id_5394442,PC-id_903569	324.44	HTKNYFPEWBLQRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055179
c1(NC(=O)c2ccc(cc2)C)sc2c(CCCCCC2)c1C#N	EMOLS-id_5380112,CoCoCo_5819123,MCULE-8294547483,SPECS-id_AK-968/40337924,ZINC22_369736,PC-id_840531	324.44	KJLYIHXZBYGEGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055180
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCCCC2)c1C#N	EMOLS-id_4007437,MCULE-3062423512,TIMTEC361583,ChEMBL-DNDi_CHEMBL1465063,SPECS-id_AK-968/11840213,ZINC22_483073,CHEMBL1465063,PC-id_903093,CoCoCo_5815038	324.44	OPAPAHQXAHOHQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055181
c1(NC(=O)c2cccc(C)c2)sc2c(CCCCCC2)c1C#N	EMOLS-id_4007435,SPECS-id_AK-968/12571265,CoCoCo_5819963,PC-id_903587,ZINC22_483835,MCULE-7643571661	324.44	BOPCIYXKJLISFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055182
c1(NC(=O)CCc2ccccc2)sc2c(CCCCC2)c1C#N	EMOLS-id_2081604,PC-id_673549,ZINC22_35617,CoCoCo_659198,MCULE-2467572728	324.44	QOCCNNORCIBCEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055183
O=C(NCc1cc2ccccc2[nH]1)c1cc2c(s1)CCCCC2	MCULE-9953926194,EMOLS-id_33365099,PC-id_51128920,ZINC22_58357587	324.44	HUSRDWFHHFZCHM-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-055184
s1c2CCCCCc2c(c1NC(=O)c1c(cc(cc1)C)C)C#N	PC-id_4459893	324.44	RRJJHLBBZXIIMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055185
s1c2CCCCCc2c(c1NC(=O)c1c(ccc(c1)C)C)C#N	PC-id_4570456	324.44	XSXJILKIISWMBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055186
s1c2CCCCCc2c(c1NC(=O)Cc1ccc(cc1)C)C#N	PC-id_41616173	324.44	BCKLFGOPLKLIEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055187
s1c2CCCCCCc2c(c1NC(=O)Cc1ccccc1)C#N	PC-id_4140363	324.44	RWCQDXBXCXZKDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055189
S1(=O)(=O)C[C@H](N(Cc2c1sc(S(=O)(=O)N)c2)CC)C	PC-id_22849717	324.44	BFKGOOZCNYZVLT-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055190
S1(=O)(=O)CC(N(Cc2c1sc(S(=O)(=O)N)c2)CC)C	PC-id_19106452	324.44	BFKGOOZCNYZVLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055191
S1(=O)(=O)C(CN(Cc2c1sc(S(=O)(=O)N)c2)CC)C	PC-id_19106471	324.44	SHIXJZVHBYHSAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055192
S1(=O)(=O)[C@@H](CN(Cc2c1sc(S(=O)(=O)N)c2)CC)C	PC-id_22849716	324.44	SHIXJZVHBYHSAA-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055193
CC(C(=O)NCC1CCCO1)Sc1nnc2n1CCCCC2	PC-id_16281839,MCULE-6750165828,EMOLS-id_13403770	324.442	CFRPPTZXXVHKIL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055194
C[C@H](Sc1nnc2n1CCCCC2)C(=O)NC[C@@H]1CCCO1	CoCoCo_3081918,PC-id_25941294,ZINC22_14092776	324.442	CFRPPTZXXVHKIL-RYUDHWBXSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055195
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)NC[C@H]1CCCO1	PC-id_25941295,CoCoCo_3081917,ZINC22_14092777	324.442	CFRPPTZXXVHKIL-VXGBXAGGSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055196
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)NC[C@@H]1CCCO1	ZINC22_14092775,PC-id_25941293,CoCoCo_3081920	324.442	CFRPPTZXXVHKIL-NEPJUHHUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055197
C[C@H](Sc1nnc2n1CCCCC2)C(=O)NC[C@H]1CCCO1	ZINC22_14092778,PC-id_25941296,CoCoCo_3081919	324.442	CFRPPTZXXVHKIL-NWDGAFQWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055198
CCOCc1nnc2CC(C)N(CCn12)C(=O)C1CCCS1	EMOLS-id_313825062	324.442	POVPOZFLNLUQCD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055199
CCOCc1nnc2n1CCN(C(=O)[C@@H]1CCCS1)[C@H](C)C2	ZINC22_585097944	324.442	POVPOZFLNLUQCD-NEPJUHHUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055200
CCOCc1nnc2n1CCN(C(=O)[C@H]1CCCS1)[C@@H](C)C2	ZINC22_585097946	324.442	POVPOZFLNLUQCD-NWDGAFQWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055201
CCOCc1nnc2n1CCN(C(=O)[C@@H]1CCCS1)[C@@H](C)C2	ZINC22_585097947	324.442	POVPOZFLNLUQCD-RYUDHWBXSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055202
CCOCc1nnc2n1CCN(C(=O)[C@H]1CCCS1)[C@H](C)C2	ZINC22_585097948	324.442	POVPOZFLNLUQCD-VXGBXAGGSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055203
O=C(c1cnc2n1CCCCC2)NCCN=S1(=O)CCCC1	EMOLS-id_278433811	324.442	WPGOKFDTPCMCRN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055204
OCCN1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110343593	324.442	PARTZKCAHCVVHD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055205
O=C(Nc1nc2c(s1)CCCCC2)CNC(=O)[C@H](C(C)C)N	EMOLS-id_303009548,PC-id_120164496,MCULE-1408937042	324.442	NWZHPRDFTHQKLN-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055206
O=C(Nc1nc2c(s1)CCCCC2)NCC1CNCCCO1	EMOLS-id_101761297	324.442	WYOQNQWYYGEMFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055207
O=C(Nc1sc2c(n1)CCCCCC2)NCC1OCCNC1	EMOLS-id_101825052	324.442	IBLATHUIOLAOFK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055208
O=C(N[C@H](C(=O)N(C)C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890295	324.442	YZWWJJVNLHDTPB-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-055209
O=S(=O)(N1CCc2n(CC1)c(cn2)CN1CCCC1)C1CC1	PC-id_97467021	324.442	JQKCQLUSJZNODA-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-055210
c1ccc(cc1)Cc1nnc2n1CCN(CC2)Cc1cscc1	CoCoCo_1596309,CoCoCo_1596308	324.443	HPYQSBQZRGGMCG-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-055211
c1cc(CN[C@H]2CCCc3sccc3C2)cc(c2nc[nH]n2)c1	ZINC22_2325773778	324.443	CFJBMTUJZFUSFZ-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-055212
c1cc(CN[C@@H]2CCCc3sccc3C2)cc(c2nc[nH]n2)c1	ZINC22_2325773779	324.443	CFJBMTUJZFUSFZ-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-055213
CC1CN(Cc2cnc(s2)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_319489026	324.443	MAQMEHOLYDRSTO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-055214
CC1CN(Cc2ncc(s2)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_319163321	324.443	ACHVJLYQFHNSGK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-055215
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc2c(c1)cc[nH]2	SCHEMBL7286465,PC-id_19985862	324.443	KVKUJVNYLOFNRN-OWOJBTEDSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055216
Nc1nc2c(s1)CCN(CC2)C/C=C/c1c[nH]c2c1cccc2	SCHEMBL7286252	324.443	GTSNMAAQGPXHOE-ONEGZZNKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055217
s1c2CCN(CCc2nc1N)CC=Cc1c2c([nH]c1)cccc2	PC-id_53856827	324.443	GTSNMAAQGPXHOE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055218
s1c2CCN(CCc2nc1N)CC=Cc1cc2c([nH]cc2)cc1	PC-id_54015629	324.443	KVKUJVNYLOFNRN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055219
S=c1n(N=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)cn[nH]1	PC-id_78619357	324.443	KNDUGCAHIYGKDA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-055220
CC(C1SCCN(C1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102164923	324.445	BEPJFOJAWFILKF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055221
CSC1CCCC(C1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102178157	324.445	XSBKKIPEJLAKPF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055222
CSC1CCCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166888	324.445	YBCAPVHOLSXKSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055223
CSCC1CCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161281	324.445	VPTIKIVBPLSJKQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055224
O=C(N1CCSC(CC1)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102168970	324.445	NWKHZARDBRYOTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055225
CC(=C)C(=O)OCCC(c1ccc(cc2-c1ccc2C)C(C)C)C	SCHEMBL9618297,PC-id_67893825	324.457	KLCKOKDJCMFIAE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055226
CCOC(=O)/C(=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C)/CC	PC-id_101145121	324.457	KIAQMKYTPSWESL-SFQUDFHCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055227
OC(=O)C=Cc1c2-c(c(CCCCCC)c1)cccc(c2)C(C)C	PC-id_85570857	324.457	XTEXICLRFDDNKL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055228
OC(=O)C(=CCCC(c1c2-c(c(cc2)C)cc(C(C)C)cc1)C)C	PC-id_67907876,SCHEMBL9695754	324.457	ZCWQGRQXFCAMNL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055229
OC(=O)/C(=C/CCC(c1c2-c(c(cc2)C)cc(C(C)C)cc1)C)/C	SCHEMBL9695746,PC-id_21751458	324.457	ZCWQGRQXFCAMNL-CAOOACKPSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055230
OC(=O)C(=C)CCCC(c1c2-c(c(cc2)C)cc(C(C)C)cc1)C	SCHEMBL9695750,PC-id_54057213	324.457	LXCAVQNDNWQGMZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055231
s1c2c(CCCCC2)c(c1NC(=S)NC1CC1)C(=O)OC	PC-id_17283932	324.461	KXDDOXHNBIHTOR-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-055232
s1c2c(CCCCC2)c(c1NC(=S)NCC=C)C(=O)OC	PC-id_17283933	324.461	YIKWNLGSUXOGQG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055233
s1c2c(CCCCC2)c(c1NC(=S)NC=C)C(=O)OCC	PC-id_24019720	324.461	JUKYPNANUDJDPK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055234
CCOC(=O)C[n+]1c(sc2c1CCCCCC2)/N=C/N(C)C	PC-id_136092774	324.462	YMRYNDHZRLEXMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055235
CO[C@@H]1CC[N@H+](CC1)CC(=O)/N=c
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s1c2c(CCCCC2)cc1C(=O)N1CC(OCC1)C(=S)N	PC-id_79670201	324.462	ZEOSCIODPJQRRA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055237
c1ccc(CCN2Cc3ccnn3C[C@@H](CN3CCCC3)C2)cc1	ZINC22_306133345	324.463	MJCOMKSAJOBRFD-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-055238
c1ccc(CCN2Cc3ccnn3C[C@H](CN3CCCC3)C2)cc1	ZINC22_306133346	324.463	MJCOMKSAJOBRFD-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-055239
c1ccc([C@@H]2CCCN(Cc3cc4n(n3)CCCNC4)CC2)cc1	PC-id_95719438,ZINC22_72152343	324.463	VYDSFVRLDBPWPJ-GOSISDBHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-055240
c1ccc([C@H]2CCCN(Cc3cc4n(n3)CCCNC4)CC2)cc1	ZINC22_72152344,PC-id_95719439	324.463	VYDSFVRLDBPWPJ-SFHVURJKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-055241
c1(CN(C)C2CCN(c3ccccc3)C2)c2CCCCCc2[nH]n1	MCULE-6454354511,EMOLS-id_316172976	324.463	NDEYATQVAVJFBC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055242
CC1CC(c2c1c(C)ccc2)NCCc1nnc2n1CCCCC2	EMOLS-id_318095370,MCULE-7707786797	324.463	QDXNKENJLFLLGO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055243
Cc1ccc2c(c1)C(NCCc1nnc3n1CCCCC3)C(C2)C	EMOLS-id_318152158,MCULE-5713410556	324.463	SHMVQOHNNWTWAN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055244
CC1(CCC(C1)NCc1nnc2n1CCCCC2)c1ccccc1	EMOLS-id_318179459,MCULE-1405202794	324.463	YATLJGWEOBLEEI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055245
CC1(C)CC(c2c1cccc2)NCCc1nnc2n1CCCCC2	EMOLS-id_318352141,MCULE-4270521088	324.463	XSCIHLJFDAXYKP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055246
Cc1cc(C)c2c(c1)CCC2NCCc1nnc2n1CCCCC2	EMOLS-id_318129314,MCULE-4208366039	324.463	JQMPNTDJSBCXNH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055247
Cc1cccc(c1)C1(CCCC1)NCc1nnc2n1CCCCC2	MCULE-2781093641,EMOLS-id_318116309	324.463	MFTHTLIYYRNJMG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055248
CC1(C)C(NCc2nnc3n2CCCCC3)CC1c1ccccc1	EMOLS-id_318233209,MCULE-9830180318	324.463	LEEQIWRWMPSHKW-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-055249
CC(C1(CCC1)c1ccccc1)NCc1nnc2n1CCCCC2	EMOLS-id_319039808	324.463	BWZDAAZJVXQICV-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-055250
CC(C1CC(c2c1cccc2)NCc1nnc2n1CCCCC2)C	MCULE-9958406295,EMOLS-id_318274310	324.463	ZUZYZLIBKVYMBC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055251
C(Cc1ccccc1)N1CC(CN2CCCC2)Cn2nccc2C1	EMOLS-id_55735185	324.463	MJCOMKSAJOBRFD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-055252
CC(=Cc1ccccc1)CNCCCc1nnc2n1CCCCC2	MCULE-2984071331,EMOLS-id_51656200	324.463	CNXQWZKYSZSYIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055253
C/C(=C/c1ccccc1)/CNCCCc1nnc2n1CCCCC2	PC-id_119110703	324.463	CNXQWZKYSZSYIA-ICFOKQHNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055254
CCC(c1nnc2n1CCCCC2)NC[C@@H]1C[C@H]1c1ccccc1	EMOLS-id_318039066	324.463	YZCZXJZUGRYHLZ-UBFHEZILSA-N	00100000100000110101100000000010000000000000000000000000	31-01-055255
C(N1CCCC(CC1)c1ccccc1)c1cc2CNCCCn2n1	EMOLS-id_43110275,PC-id_56895012,MCULE-5703927214	324.463	VYDSFVRLDBPWPJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-055256
CN(Cc1n[nH]c2c1CCCCC2)[C@H]1CCN(c2ccccc2)C1	ZINC22_1506395805	324.463	NDEYATQVAVJFBC-KRWDZBQOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055257
CN(Cc1n[nH]c2c1CCCCC2)[C@@H]1CCN(c2ccccc2)C1	ZINC22_1506395808	324.463	NDEYATQVAVJFBC-QGZVFWFLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055258
COCc1scc(n1)CSCc1nnc2n1CCCCC2	EMOLS-id_100814570	324.465	DBOYAJFTSYCUBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055259
S(c1n2CCCCCc2nn1)Cc1nnsc1NCCC	PC-id_62187869	324.468	FHKRYBBLMZIDGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055260
S(c1n2CCCCCc2nn1)Cc1sc(NCCC)nn1	PC-id_80602084	324.468	LHHBFZAZTPMDEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055261
c12c(CCCCN1CC(C)C)cc(C(=O)NC(C)COC)s2	EMOLS-id_97020891,MCULE-7245446389	324.481	BEPTXKCRGRUIOE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055262
CCN(C(C)C)C(=O)c1cc2CCCCN(CCOC)c2s1	MCULE-7125576492,EMOLS-id_97026652	324.481	WSGFXNFSAFZSEK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055263
COCCN1CCCCc2c1sc(c2)C(=O)NC(CC)(C)C	EMOLS-id_97020732,MCULE-8361754071	324.481	MCVZOISEMOZTLX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055264
s1c(N=CC2=CCC3C(C2C3)(C)C)c(c2c1CCCCC2)C#N	PC-id_23963134	324.483	XFFQUYANCPHLPT-UHFFFAOYSA-N	00001000100011000100001000000010000000000000000000000000	31-01-055265
C[C@@H](C(=O)N(C(C)C)C(C)C)Sc1nnc2n1CCCCC2	GD-id_ZINC52425954	324.485	PYAZVSGNJFVCHP-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055266
CSC(C(C)(C)C)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101711750	324.485	HQGLYWDZXHDKGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055267
CSC(C)(C)[C@H](N)C(=O)N(C)Cc1n[nH]c2c1CCCCC2	EMOLS-id_336466871,ZINC22_1940193561	324.485	WWMPBLFWKBDSNV-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055268
S(c1n2CCCCCc2nn1)CC(=O)NC(CCC(C)C)C	PC-id_78679838	324.485	PCRWUUNKHGHEIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055269
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](CCC(C)C)C	PC-id_8379706	324.485	PCRWUUNKHGHEIF-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055270
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](CCC(C)C)C	PC-id_8379710	324.485	PCRWUUNKHGHEIF-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055271
CN=C(NCC(SC)(C)C)NCc1nnc2n1CCCCC2	PC-id_111609624	324.488	WLSGTDSDHYWMBJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055272
CSCCCCNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111626570	324.488	PBDGHCOMAXSHKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055273
CSCCN=C(NCCc1nnc2n1CCCCC2)NCC	PC-id_111344869	324.488	MDMLOMGOMKYEGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055274
CSCCNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111346037	324.488	XOBQESBUNHWQIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055275
CCCCCCc1c(C=O)c(c2-c1ccccc2)CCCCCC	PC-id_102378832	324.5	UFWSQDDIWOIVJX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055276
FCCCc1nc2c(s1)CCN(CC2)CCC1CCCCC1	PC-id_145451856	324.5	BQZHYAZJDQZHMY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055277
CCSC1=C(C)C(C)(CN)c2c(CC1)sc(c2)C(=O)NC	PC-id_143416171	324.505	APJGRLCICYSVGQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-055278
CNC1C(=O)N(CCc2c1scc2)CC1CCCCCS1	SCHEMBL14171071,PC-id_23554678	324.505	KASZXYRCPWUFEI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055279
s1c2c(CCCCC2)cc1C(=O)NC(CC)(CC)C(=S)N	PC-id_61121382	324.505	ZBVHADJYMOKRTM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055280
s1c2c(CCCCC2)cc1C(=O)N(C(C)C)CCC(=S)N	PC-id_61584967	324.505	GYCMXGSFVNQUHR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055281
s1c2c(CCCCC2)cc1C(=O)N(CC(C)C(=S)N)CC	PC-id_61574902	324.505	HRQQCRPYHWSCDI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055282
S1CC(CN2CCc3c(scc3)C(NC)C2=O)CCCC1	PC-id_23516871	324.505	KZHGDLMGGNYLSC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055283
CCC1(CC)COc2c(OC1)c(sc2C(C)(C)C)C(C)(C)C	PC-id_138737576,SCHEMBL21117913	324.521	YJUWAWAMGTVCHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055284
CCCCCCC1CC(CCCCCC)Oc2c(O1)csc2	PC-id_101791090	324.521	TXJVXAHMQCUKFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055285
CCCCCCC1(COc2cscc2OC1)CCCCCC	MCULE-1247518990,SCHEMBL2340404,PC-id_67370046	324.521	NZMMQKZBBGHOQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055286
s1cc2OCC(CCCCCCCCCCCC)COc2c1	PC-id_86035460	324.521	NYNLUVLIEHKCNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055287
Cc1ccc2-c1cc(ccc2CC([N+]1(C)CCCC1)(C)C)C(C)C	PC-id_434980,LI_73177,CoCoCo_5622958	324.523	JGXOWFHVCSFLFK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055288
c1(c(CCCCCC)cc2-c1ccc(C(C)C)cc2)CCCCC	PC-id_19996703	324.543	HIPNHTRCMSKHGY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055289
C(CCCCCCCC)CCCCCc1c2-c(cc1)ccccc2	PC-id_19815785	324.543	MJNDXEQMQDKAPC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055290
[Si](C(C)(C)C)(c1c(c2-c(c1C)ccccc2)CCCC=C)(C)C	PC-id_85575571	324.575	XLODCHXTJBCIEZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055291
Cc1ccccc2-c1cc(c2Cl)OS(=O)(=O)C(F)(F)F	PC-id_102576495	324.703	CCVJTGZZIHZSPT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055292
Cn1nc2CCN(CCn2c1=O)C(=O)c1ccc(F)cc1Cl	PC-id_91910617,EMOLS-id_49731325,MCULE-3333797130	324.738	ZDCZPRVTXKECKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055293
Cn1nc2CCN(CCn2c1=O)C(=O)c1cc(Cl)ccc1F	MCULE-2704785443,EMOLS-id_49731327,PC-id_91910618	324.738	VRRNSPOEMBUTDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055294
Fc1cccc(Cl)c1CC(=O)N1CCc2n[nH]c(=O)n2CC1	PC-id_91910586,MCULE-8091413533,EMOLS-id_49731287	324.738	AUQJKOWLJNGPSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055295
O=C(C1CCn2c(CC1)nnc2)Nc1cc(Cl)c(cc1F)O	EMOLS-id_319948235,MCULE-2100848103	324.738	CXLOLBBAEZMVAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055296
O=C(NCc1nnc2n1CCOCC2)c1cc(F)ccc1Cl	EMOLS-id_313186103,MCULE-3328549163,ZINC22_585142113	324.738	PFRFLXZQNWOWRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055297
O=C(Nc1cccc(c1Cl)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102014650	324.741	LQJNCQVOXFNVQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055298
O=C(Nc1ccc(cc1Cl)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102025552	324.741	ITKQWSYITBHDQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055299
O=C(Nc1ccc(c(c1)Cl)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102025579	324.741	WETNAUSDXUQKQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055300
O=C(Nc1ccc(c(c1)F)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102006864	324.741	DQIHUUDSGOHELT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055301
O=C(Nc1ccc(cc1F)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102025600	324.741	CTFBKLJFLUZJGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055302
O=C(Nc1cccc(c1F)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102029492	324.741	SNLDJAFNMHVBNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055303
O=C(Nc1cc(Cl)ccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102029576	324.741	WSCLCZGJTQMIBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055304
O=C(Nc1cc(F)cc(c1)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102005313	324.741	BLXQTGJZSWIYIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055305
Clc1ccccc1C(=O)c1c(C)c(c2-c1ccccc2)C(=O)O	PC-id_139771641	324.758	OQOLBAROQRHKMV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-055306
Clc1ccc(cc1)C(=O)c1c(C)c(c2-c1ccccc2)C(=O)O	PC-id_139771648	324.758	KMKZVYBNMKKGGD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-055307
Clc1cccc(c1)C(=O)c1c(C)c(c2-c1ccccc2)C(=O)O	PC-id_139771661	324.758	UIZYEPRTKODURI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-055308
Cc1cc(F)c(c(c1)Cl)CNCc1nnc2n1CCOCC2	MCULE-1409750370,EMOLS-id_318514259	324.781	OHBIUGGBOJERNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055309
Clc1c(nc(Sc2n3CCCCCc3nn2)cc1)C(=O)O	PC-id_29273642	324.786	SDIKXGHDOMFUCD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055310
Clc1c(Sc2n3CCCCCc3nn2)ncc(c1)C(=O)O	PC-id_29558806	324.786	CMCDHDBERTWCJM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055311
Clc1nc(Sc2n3CCCCCc3nn2)cc(c1)C(=O)O	PC-id_43343707	324.786	RMMNNIXPDCJCMT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055312
Clc1nc(Sc2n3CCCCCc3nn2)c(cc1)C(=O)O	PC-id_63380069	324.786	DQYWHUTXLJBXST-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055313
OC(=O)c1ccnc(c1Cl)Sc1nnc2n1CCCCC2	PC-id_107063678	324.786	TWFTXRRGOIFKOR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055314
OC(=O)c1cc(ncc1Cl)Sc1nnc2n1CCCCC2	PC-id_114920078	324.786	LZPHJKKYWFTFOB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055315
O=[N+]([O-])c1ccc(Sc2nnc3n2CCCCC3)c(Cl)c1	CoCoCo_4402836,MCULE-8925427288,ZINC22_14069204,PC-id_17431397,EMOLS-id_12001877	324.786	QIPONNQPOICZMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055316
[O-][N+](=O)c1c(Cl)cccc1Sc1nnc2n1CCCCC2	PC-id_104839216	324.786	FAMZYNOFVMAMSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055317
Clc1ccc(c(c1)F)C(=O)N1CCCCc2c1sc(n2)C	MCULE-5998512355,EMOLS-id_320153226	324.801	CPETVGXKBQPVAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055318
Fc1ccc(c(c1)Cl)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319069095	324.801	OYHJWXRIPKJUOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055319
Fc1cccc(Cl)c1C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_334604413,MCULE-6617263390	324.801	GPEUIMPMUSGFFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055320
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Cl)cc1F	PC-id_17519618,ZINC22_12830208,CoCoCo_4546231,MCULE-4041607865,EMOLS-id_16732898	324.801	HVALMACQNFDCDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055321
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(F)cc1Cl	MCULE-6635849682,ZINC22_12828629,EMOLS-id_16733464,CoCoCo_4546093,PC-id_17519676	324.801	XZFOEAWXRDLPRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055322
O=C(Nc1nc2c(s1)CCCCC2)c1cc(Cl)ccc1F	MCULE-6442412917,CoCoCo_4546241,EMOLS-id_24090771,ZINC22_12829213,PC-id_25541351	324.801	SLBWZGRHOKEHJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055323
CCC(c1nn2c(c1C#N)N=CCC=C2)(c1ccccc1Cl)C	PC-id_142202812	324.807	XTGYZONRLWGFFJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-055324
ClC(=Cc1ccccc1)C=C(c1n2CCCCCc2nn1)C#N	PC-id_78695271	324.807	SIQMYVPEDZQLQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055325
ClC(=Cc1ccccc1)/C=C(/c1n2CCCCCc2nn1)C#N	PC-id_8429505	324.807	SIQMYVPEDZQLQB-ANRJPOMSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055326
c1(c(Cl)cnn1C)C(=O)Nc1sc2c(CCCCCC2)n1	EMOLS-id_316192728,ZINC22_667069189,MCULE-6107682398,PC-id_134704585	324.829	SBHZXSQHUAUHAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055327
Cc1sc2c(n1)CCCCN2C(=O)c1nn(c(c1Cl)C)C	EMOLS-id_318922135	324.829	GNMPGYXMFSMYEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055328
C[C@@H](NC(=O)c1ccc(Cl)s1)c1nnc2n1CCCCC2	ZINC22_29900933	324.829	DTFWIYUMFKKMPP-SECBINFHSA-N	00000000100100000101000000000010000000000000000000000000	31-01-055329
C[C@H](NC(=O)c1ccc(Cl)s1)c1nnc2n1CCCCC2	ZINC22_29900935	324.829	DTFWIYUMFKKMPP-VIFPVBQESA-N	00000000100100000101000000000010000000000000000000000000	31-01-055330
CCn1ncc(c1C(=O)N1CCCCc2c1sc(n2)C)Cl	EMOLS-id_318976155	324.829	ABHUCZQXLPNZIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055331
Clc1cc(c(/N=c/2sc(=O)n3n2CCCCC3)nc1C)C	PC-id_18717175	324.829	PFUQTYUWBQXIFY-LGMDPLHJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055332
Clc1ccc(s1)C(=O)NC(c1nnc2n1CCCCC2)C	PC-id_53507684,EMOLS-id_35699514,MCULE-4849999660	324.829	DTFWIYUMFKKMPP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-055333
Clc1cnn(c1)C(C(=O)N1CCCCc2c1sc(n2)C)C	MCULE-6243843492,EMOLS-id_320282919	324.829	JIZSILRMRIBTIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055334
Clc1sc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_60389646	324.829	VFCCBZKJYWZQIK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-055335
Clc1c(nc(NN)cc1)CSc1n2CCCCCc2nn1	PC-id_62885460	324.832	ABHTUNUNNBIKCN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055336
Clc1c(Sc2n3CCCCCc3nn2)nc(NCC)nc1	PC-id_80869732	324.832	WSHWDSNDWIGHKM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-055337
Clc1ccc(c(c1)CC(c1cc2c(s1)CCCCC2)O)F	PC-id_103053430	324.841	SIOPJWNKWGECBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055338
Clc1ccc(c(c1)F)CC(c1cc2c(s1)CCCCC2)O	PC-id_115839755	324.841	ANFGEHNBCQSGTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055339
Clc1c(CC(O)c2sc3c(CCCCC3)c2)c(F)ccc1	PC-id_63519818	324.841	ZSLJGEGTCDDWTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055340
Clc1c(C(O)c2sc3c(CCCCC3)c2)cc(c(F)c1)C	PC-id_81049652	324.841	PTWDXPWEQUNKLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055341
ClC(c1sc2CCCCCc2c1)c1cc(F)c(OC)cc1	PC-id_63434244	324.841	PKFIHEGDTLQNLK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055342
ClC(c1sc2c(CCCCC2)c1)c1c(F)cc(OC)cc1	PC-id_63434298	324.841	FIKJTGYFEFCOQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055343
ClC(c1sc2c(CCCCC2)c1)c1c(OC)ccc(F)c1	PC-id_63432828	324.841	JJKNCXWYJNXATG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055344
Fc1ccc(c(c1)CC(c1cc2c(s1)CCCCC2)O)Cl	PC-id_102623144	324.841	HMTOOEFROZXGLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055345
Fc1ccc(c(c1)Cl)CC(c1cc2c(s1)CCCCC2)O	PC-id_115785363	324.841	WDIPONRKRBHKOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055346
OC(c1cc2c(s1)CCCCC2)Cc1ccc(c(c1)Cl)F	PC-id_103043614	324.841	FDGNJDUNCVWBFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055347
OC(c1cc2c(s1)CCCCC2)Cc1cccc(c1Cl)F	PC-id_115831163	324.841	PXHAUHRXLMFITE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055348
OC(c1cc2c(s1)CCCCC2)Cc1cccc(c1F)Cl	PC-id_102867521	324.841	ILCRJEBUOONYOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055349
OC(c1cc2c(s1)CCCCC2)Cc1ccc(c(c1)F)Cl	PC-id_107894406	324.841	AOGLEJNHETYMJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055350
NNC(c1ccc(cc1F)Cl)c1cc2c(s1)CCCCC2	PC-id_105328324	324.844	ZVZKYVCAVZBRNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055351
NNC(c1cc(F)ccc1Cl)c1cc2c(s1)CCCCC2	PC-id_105398049	324.844	XBKNGIAWXFBCKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055352
ClC1CCC(CC1)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319499298	324.849	XBPPIGMAAOLNRS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055353
ClC1CCC(CC1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_319807154	324.849	WOYSWODOHHNVNI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055354
ClS(=O)(=O)c1c2-c(c(CCCC)c1)ccc(C(C)C)cc2	PC-id_10019181	324.865	SFKHTGVAPYBART-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055355
ClS(=O)(=O)c1c2-c(c(CCCC)c1)cccc(C(C)C)c2	PC-id_10381643	324.865	ALTWUXNIOQNDAY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055356
CCCn1ncc(c1C(c1cc2c(s1)CCCCC2)O)Cl	PC-id_115835598	324.869	MNWJASFMIGWAQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055357
Clc1cnn(c1C(c1cc2c(s1)CCCCC2)O)C(C)C	PC-id_115835215	324.869	NCMJGSLNPFJZOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055358
OC(c1cc2c(s1)CCCCC2)Cc1c(C)nn(c1Cl)C	PC-id_115832414	324.869	OJAYDRCODPUIFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055359
OC(c1cc2c(s1)CCCCC2)Cc1n(C)nc(c1Cl)C	PC-id_115811836	324.869	XZMNXSVEFQADHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055360
CCn1ncc(c1C(c1cc2c(s1)CCCCC2)NN)Cl	PC-id_105336281	324.872	KKOMAQFSYJTBKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055361
Clc1scc(c1)C(NC(c1nnc2n1CCCCC2)C)C	PC-id_102976373	324.872	IEWAQKRLQKQDEU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-055362
Clc1sc(C(NC(c2n3CCCCCc3nn2)C)C)cc1	PC-id_43746939	324.872	CHZQBOARMQPVET-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-055363
Cn1nc(c(c1Cl)C[NH2+]Cc1cc2c(s1)CCCCC2)C	GD-id_ZINC51188893	324.892	YBMFSJPRBWVOKZ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-055364
CC1(C)COc2c(OC1)c([nH]c2Br)Br	PC-id_102177391	324.997	QEEWJKXEUGROGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055365
Brc1c2-c(c(c1CBr)C#N)ccccc2	PC-id_11290300	324.999	KWKRTMOTZUIJER-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055366
C1CCN2C(=NC(=N2)Br)C(C1)OC3=CC=C(C=C3)F	PC-id_153606634	325.023	OTIQYCNQANUMCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055367
C1CCC2=C(CC1)NN=C2C(=O)NS(=O)(=O)C3=CSC=C3	PC-id_154754241,EMOLS-id_112056983,MCULE-5131344776	325.055	GWFBAYXFYGJUMV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-055368
Brc1c2C(CNCCc2sc1Br)C	SCHEMBL3005460,PC-id_59302544	325.063	YACZTTWBJWBYFX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055369
BrP([PH2-])CCC1n2c(noc2=O)CCCC1	PC-id_72644820	325.079	ITOZGCKRODFYCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055370
BrP([PH2-])CC[C@@H]1n2c(noc2=O)CCCC1	PC-id_60087917	325.079	ITOZGCKRODFYCG-MSSWUJIJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055371
CN1C=C(C(=N1)C(F)F)C(=O)NC2CCCCC3=C2SC=C3	PC-id_150709036	325.106	JNMFQSRKCHTMIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055372
O=C(c1noc2c1CCCCC2)Nc1c[nH]nc1Br	EMOLS-id_278434627	325.161	HCAUCWFWOSWZBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055373
O=C(c1noc2c1CCCCC2)Nc1n[nH]cc1Br	EMOLS-id_112008995	325.161	KOHZEIFAAHPIEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055374
CC1=NC2=C(C=NN2C=C1)C(=O)NCC3=NN=C4N3CCCCC4	PC-id_154801115	325.165	WEVQPVIJUIABID-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055375
C1CC2=NN=NN2CC[C@H]1C(=O)N(CCC3=CC=CC=C3)C4CC4	PC-id_164635034,ZINC22_845324490	325.19	TUYPKICOVVCQQJ-HNNXBMFYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055376
c1(C(=O)Nc2ccc(cc2Cl)Cl)c2CCCCCc2on1	EMOLS-id_29920171,MCULE-8948340940,ZINC22_36352808,PC-id_45490870,STOCK6S-86462	325.19	WHCDTHJZEYBYCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055377
c1(C(=O)Nc2c(cccc2Cl)Cl)c2CCCCCc2on1	TIMTEC109699,PC-id_4053927,EMOLS-id_15972028,ZINC22_426556,MCULE-3827255913	325.19	CUBAWHZZDYUYBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055378
c1(C(=O)Nc2cccc(Cl)c2Cl)c2CCCCCc2on1	PC-id_52902631,ZINC22_61721755,STOCK7S-16460,EMOLS-id_35790609,MCULE-7880760471	325.19	RXXDZYZZHVVEIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055379
c1(C(=O)Nc2c(Cl)ccc(Cl)c2)c2CCCCCc2on1	MCULE-3438732851,ChEMBL-DNDi_CHEMBLC226-3472,PC-id_4053926,TIMTEC267664,EMOLS-id_15972026,STOCK6S-90774,ZINC22_426555	325.19	KOEPUVBPGYPDAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055380
Oc1cn2c(c1)CN(CCC2)C(=O)c1c(Cl)cccc1Cl	PC-id_144264821	325.19	TWZCNMQAUUOREY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055381
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(Cl)cncc1Cl	EMOLS-id_319885253,MCULE-3298791564	325.193	PATFGNRAMFBCQH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055382
Clc1cc(cc(c1)Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278109691	325.193	NEPQZDUBDGGGSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055383
Clc1cncc(c1C(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101845195	325.193	YYJISSIRAJGZAZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055384
Clc1ncc(c(c1)Cl)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_278168136	325.193	ZPIPISAIEOHXQU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055385
O=C(c1ccnc(c1Cl)Cl)N1CCCc2c(C1)cnn2C	EMOLS-id_278918396	325.193	SDVYHJPUNFDDHD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055386
Brc1cccc(c1)C(=O)c1cc2-c(c1C)ccccc2	PC-id_69381873,SCHEMBL5273962	325.199	VCNUOFYFRFETJJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-055387
Brc1cccc(c1)C(=O)c1cc(c2-c1ccccc2)C	PC-id_23080591,SCHEMBL5280329	325.199	CLDMMEKPCGAICA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-055388
Brc1c2-c(c(/N=N/c3ccc(cc3)C)c1)ccccc2	PC-id_85774729	325.203	HFEKGNXHGOCKJL-FMQUCBEESA-N	00000010100000110110000000000010000000000000000000000000	31-01-055389
Brc1ccc(o1)CNCc1nnc2n1CCCCC2	MCULE-9095545254,PC-id_121846677,EMOLS-id_50952530	325.204	VWLQYGNILKNGND-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055390
Brc1ccoc1CNCc1nnc2n1CCCCC2	EMOLS-id_318692633,MCULE-7484301416	325.204	RNLJUZOECJNGNZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055391
Brc1c[nH]c(n1)CNCc1nnc2n1CCCCC2	MCULE-5952807374,EMOLS-id_258177969	325.208	MWWDUMDDSRLQAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055392
Brc1ccc(o1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_314911571,PC-id_80216279	325.221	FHCRONSEIYAWKE-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-055393
Brc1ccoc1C(=O)c1cc2c(s1)CCCCC2	PC-id_114973399	325.221	KJVARVDHZJFMDQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-055394
Brc1cccc(n1)Sc1nnc2n1CCCCC2	PC-id_63963894,EMOLS-id_314936368	325.227	AYHBCJZSRPJZQW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055395
Brc1ccc(nc1)Sc1nnc2n1CCCCC2	EMOLS-id_314510246,PC-id_61373793	325.227	UVSIKHOXFQRECB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055396
Brc1cccnc1Sc1nnc2n1CCCCC2	PC-id_61373752,EMOLS-id_314508457	325.227	PAHSMGMAMLSRMK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055397
Brc1cnccc1Sc1nnc2n1CCCCC2	PC-id_113452217,EMOLS-id_315934126	325.227	PNUQGWLPUIRMTM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055398
Clc1ccnc(c1Cl)CN1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318782542	325.236	CNLPYTWIULAMTL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055399
Clc1cccc(c1Cl)C(=O)c1cc2c(s1)CCCCC2	PC-id_114970465	325.253	DXGVUFVFFSYRGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055400
Clc1cc(C(=O)c2sc3CCCCCc3c2)ccc1Cl	PC-id_43463769	325.253	YVIVUEOZPSBBLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055401
Clc1c(C(=O)c2sc3CCCCCc3c2)ccc(Cl)c1	PC-id_63492536	325.253	LYGRPKSLXMUZAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055402
Clc1c(C(=O)c2sc3CCCCCc3c2)cc(Cl)cc1	PC-id_43463782	325.253	VXLXBBQLSKAEIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055403
Clc1ccc(cc1Cl)/C=C/c1nc2c(s1)NCCCC2	SCHEMBL8315608,PC-id_15069528	325.256	ZMJPDJITZNLRBI-FNORWQNLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055404
Clc1cc(C=Cc2sc3NCCCCc3n2)ccc1Cl	PC-id_54554737	325.256	ZMJPDJITZNLRBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055405
Brc1cc(sc1)Cn1cc2C(N)CCCCc2c1	PC-id_83208702	325.267	NXFJBBRBBJLAHX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-055406
Brc1c(scc1)Cn1cc2C(N)CCCCc2c1	PC-id_83208620	325.267	CPZGSUSUVDJQQC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-055407
Brc1sc(Cn2cc3C(N)CCCCc3c2)cc1	PC-id_83207760	325.267	ONCMQLFETYIGJC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-055408
BrC(c1sc2c(CCCCC2)c1)Cc1[nH]ccn1	PC-id_61098183	325.267	DUSZLBJKLSZHKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055409
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(F)c(c(c1F)O)F	MCULE-7533170591,EMOLS-id_320328807	325.286	YOYNTVAIKKMZGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055410
O=C1NCCCc2nn(Cc3cccc(F)c3OC(F)F)cc12	MCULE-2472826211,EMOLS-id_320343412,ZINC22_634550528,PC-id_139021795	325.286	DJYNJPIEPKJMGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055411
O=C(c1cc(F)c(c(c1F)O)F)N1CCCc2c(C1)cnn2C	EMOLS-id_101846326	325.286	IWXXQNDPHVLNOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055412
O=C(c1cnc2n1CCCCC2)Nc1cnc(nc1)C(F)(F)F	EMOLS-id_278175352	325.289	LLJDTRJOHJVKNQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-055413
O=C(Cc1cccc(C(F)(F)F)n1)N1CCCn2nncc2C1	EMOLS-id_316970932,MCULE-7818847589,ZINC22_829601995	325.289	VQRRIMZSSGVEQP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055414
ClC(c1sc2c(CCCCC2)c1)Cc1ccc(Cl)cc1	PC-id_63543340	325.296	OGCBHINNOOKJGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055415
ClC(c1sc2c(CCCCC2)c1)Cc1cc(Cl)ccc1	PC-id_63544097	325.296	LCYNHTQOAILEGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055416
ClC(c1sc2c(CCCCC2)c1)Cc1c(Cl)cccc1	PC-id_63518628	325.296	HKEGHJDKUDSOOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055417
c12C=C(CC(COc1n(nc2C(F)(F)F)C)N)S(=O)(=O)C	EMOLS-id_304090615,MCULE-5620329408	325.307	IMICLNMNYCJPQO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-055418
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)CC(F)(F)F	EMOLS-id_112056968	325.307	JBUPADDTAPERFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055419
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nn(c(c1)OC(F)F)C	EMOLS-id_319143673	325.314	JMLSKLXGCXIDKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055420
O=C(ON1C(=O)c2ccccc2C1=O)c1cnc2CCCCCn12	EMOLS-id_316742798,MCULE-1298713658	325.319	QJHYDYCVUROWBW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055421
O=C(ON1C(=O)c2ccccc2C1=O)c1n[nH]c2CCCCCc12	MCULE-6156599472,EMOLS-id_316738953	325.319	LDNRTSYMQAXTDY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055422
C1CCc2nnc(n2CC1)/C(=C(/c1ccc(cc1)[N+](=O)[O-])O)/C#N	PC-id_135498869,CoCoCo_3745163,CHEMBL1427530	325.322	AIIARTFOVMEGCK-SQFISAMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055423
C1CCc2nnc(n2CC1)/C(=C/c1cc(c(cc1)O)[N+](=O)[O-])/C#N	PC-id_136028718	325.322	YHVPQDNWIRNLFV-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055424
N#C/C(=C(/c1ccc(cc1)[N+](=O)[O-])O)/c1nnc2n1CCCCC2	CoCoCo_3745164	325.322	AIIARTFOVMEGCK-FYWRMAATSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055425
N#CC(=C(c1ccc(cc1)[N+](=O)[O-])O)c1nnc2n1CCCCC2	MCULE-5229021939,EMOLS-id_300261461	325.322	AIIARTFOVMEGCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055426
N#C[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2	PC-id_51694653,ZINC22_35469750	325.322	ICMONTIHXSPLQB-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055427
N#C[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2	ZINC22_35469751	325.322	ICMONTIHXSPLQB-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055428
O=C1C(=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=C1)[N+](=O)[O-]	PC-id_36073467	325.322	JXPLLJFOEWWAJN-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-055429
O=C(/C(=C
/N2CCCCCC2=NN1)/C#N)c1ccc([N+](=O)[O-])cc1	PC-id_6029451	325.322	QONOULITQPPGFJ-DTQAZKPQSA-N	00000011000000110111000000000010000000000000000000000000	31-01-055430
O=C(C(=C1N2CCCCCC2=NN1)C#N)c1ccc([N+](=O)[O-])cc1	PC-id_6819275	325.322	QONOULITQPPGFJ-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-055431
O=C(C(c1n2CCCCCc2nn1)C#N)c1ccc([N+](=O)[O-])cc1	PC-id_7746107	325.322	ICMONTIHXSPLQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055432
CN1CCC(c2c(C1)oc(c2)C)Oc1ccc(cc1)C(F)(F)F	SCHEMBL2838582,PC-id_68410744	325.326	NVCXNGTWPYLTOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055433
CC1CN(Cc2cc(F)ccc2OC(F)F)Cc2c(C1)[nH]nc2	EMOLS-id_318819689	325.329	GVQFRMUDERFZNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055434
O=C(c1cnccn1)N1CCCn2c(C1)c(nn2)Cn1cnnc1	PC-id_97519640	325.329	AGDZWXKMURIAQP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-055435
Cc1cc(ccc1CNC1CCn2c(CC1)nnn2)C(F)(F)F	MCULE-8417327899,EMOLS-id_318315964	325.332	UPKPFHUCXUDDNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055436
Cc1cc(CNC2CCn3c(CC2)nnn3)ccc1C(F)(F)F	MCULE-1620275830,EMOLS-id_318313659	325.332	SMRRFYWLVZZLHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055437
Cn1cnc(c1)S(=O)(=O)N1CCCn2nc(cc2C1)C(=O)O	ZINC22_65423214,EMOLS-id_32407406,PC-id_50968862,MCULE-5834972594	325.344	YWZNSIGVWXPULQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055438
s1c2CCCCCc2cc1C(=O)Nc1c(F)c(F)c(F)cc1	PC-id_7958766	325.349	NLOJXFWHEBZROA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055439
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)C1CC(F)(F)C1	EMOLS-id_313810223	325.354	FZCLEZROUSNKBI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-055440
CNC(=O)C[C@H]1CN(C(=O)C2CC(F)(F)C2)Cc2cccn2C1	ZINC22_585099043	325.354	FZCLEZROUSNKBI-LLVKDONJSA-N	00001000100000000101000000000010000000000000000000000000	31-01-055441
CNC(=O)C[C@@H]1CN(C(=O)C2CC(F)(F)C2)Cc2cccn2C1	ZINC22_585099044	325.354	FZCLEZROUSNKBI-NSHDSACASA-N	00001000100000000101000000000010000000000000000000000000	31-01-055442
O=C1OCCCn2ccc(c2)COC(=O)C(O)(C)C(O)(C)C1C	CNP0123509	325.357	ZIUHRGJWJBISRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055443
CCOC(=O)C(c1ccccc2-c1cc(c2C(=O)OCC)C)C#N	PC-id_102425864	325.358	XJSQKNVVUGUAQP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055444
o1c2-c(c(CNCc3cc(OC)c(OC)cc3)c1=O)ccccc2	PC-id_10404033	325.358	WKYSFGSAYGEYQG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-055445
CC(c1nnc2n1CCS(=O)(=O)CC2)Oc1ccccc1F	MCULE-8438310558,EMOLS-id_316951626,PC-id_136557083	325.359	ATZDCCDITVSIKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055446
CC(c1nnc2n1CCS(=O)(=O)CC2)Oc1ccc(cc1)F	PC-id_136557085,EMOLS-id_316952138,MCULE-7705304647	325.359	OUXALWLWCDPLLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055447
C[C@H](Oc1ccccc1F)c1nnc2n1CCS(=O)(=O)CC2	ZINC22_630950325	325.359	ATZDCCDITVSIKN-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-055448
C[C@@H](Oc1ccccc1F)c1nnc2n1CCS(=O)(=O)CC2	ZINC22_630950327	325.359	ATZDCCDITVSIKN-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055449
C[C@H](Oc1ccc(F)cc1)c1nnc2n1CCS(=O)(=O)CC2	ZINC22_630951769	325.359	OUXALWLWCDPLLP-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-055450
C[C@@H](Oc1ccc(F)cc1)c1nnc2n1CCS(=O)(=O)CC2	ZINC22_630951770	325.359	OUXALWLWCDPLLP-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055451
OCC1CCn2nccc2CN1S(=O)(=O)c1ccc(F)cc1	EMOLS-id_313820192	325.359	HSMLGBZBQCXTTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055452
O=S(=O)(c1ccc(F)cc1)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585097139	325.359	HSMLGBZBQCXTTK-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055453
O=S(=O)(c1ccc(F)cc1)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585097141	325.359	HSMLGBZBQCXTTK-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055454
c12CN(CCCn1nc(CO)c2)C(=O)c1ccc2c(cc(o2)C)c1	PC-id_91774134,EMOLS-id_55642732,MCULE-6479560601	325.362	IODCAQHBOBPOLJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055455
c12CN(CCCn1nc(CO)c2)C(=O)c1cccc2cc(C)oc12	EMOLS-id_55699303,PC-id_91793556,MCULE-1276347923	325.362	HNXLZMZCVJIBAM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055456
Cc1cc(ccc1F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026707	325.362	NYURVUBUENKTHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055457
Cc1ccc(c(c1)F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026710	325.362	PEBOUUQXFUOFQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055458
Cc1cccc(c1F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028514	325.362	DVSHTDMZXKIYIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055459
Cc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102026641	325.362	DVHYLKYVFOSERU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055460
Cc1cccc(c1S(=O)(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102028541	325.362	CFFDBJZNEPVVGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055461
Cc1cc(F)cc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026773	325.362	KJXUBXDTXYGKNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055462
Cc1c(C(=O)N2Cc3ccnn3CC[C@H]2CO)oc2ccccc12	ZINC22_585098406	325.362	XQOZVRBKUUHHAR-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055463
Cc1c(C(=O)N2Cc3ccnn3CC[C@@H]2CO)oc2ccccc12	ZINC22_585098409	325.362	XQOZVRBKUUHHAR-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055464
Cc1c(oc2ccccc12)C(=O)N1Cc2ccnn2CCC1CO	EMOLS-id_313816878	325.362	XQOZVRBKUUHHAR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055465
CCOc1[nH]c2c(n1)cc(cc2)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_100663856	325.362	PJSSDEXTJAQRDJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055466
CN1C(=O)Cc2c1ccc(c2)NC(=O)c1noc2c1CCCCC2	EMOLS-id_99960654	325.362	RAQIZQJXKLHWTJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055467
COc1cccc2c1oc(c2)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318925782	325.362	UTYUNDIMQGVXER-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055468
COc1ccccc1[C@@H](C#N)NC(=O)c1noc2c1CCCCC2	PC-id_99635883,ZINC22_134190606	325.362	BYQDATBTYSPZHD-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055469
COc1ccccc1[C@H](C#N)NC(=O)c1noc2c1CCCCC2	ZINC22_134190808,PC-id_99635884	325.362	BYQDATBTYSPZHD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055470
COc1ccccc1C(NC(=O)c1noc2c1CCCCC2)C#N	EMOLS-id_53781455,PC-id_121515660,MCULE-7910034384	325.362	BYQDATBTYSPZHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055471
Fc1cc(ccc1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026647	325.362	LGCWJNORWTZYQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055472
Fc1cccc(c1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026755	325.362	OJIDGIAELHVGBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055473
Fc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102026635	325.362	MCKFMCRPLXLSPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055474
Oc1ccc2c(c1)occ2C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319690122	325.362	PZCOBPZOSSOWKB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055475
OCc1c(oc2c1cccc2)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319660889	325.362	QSFJIKBBYXGLBH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055476
O=C(c1coc2c1C(=O)NCCC2)N1CC(C1)Nc1ccccc1	EMOLS-id_319709981	325.362	YWPSTVVRIUNJQW-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-055477
O=C(c1noc2c1CCCCC2)Nc1cccc2c1CN(C2=O)C	EMOLS-id_101678522	325.362	TWGWACRSZWDYHX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055478
O=C(c1noc2c1CCCCC2)NC1CN(C1=O)c1ccccc1	EMOLS-id_101050522	325.362	SSTJQSDEQXSZJV-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-055479
O=C(N1CCc2c(CC1)nc[nH]2)Oc1ccc(cc1)C(=O)C1CC1	PC-id_142022558	325.362	OZZWDYJXNBUDMC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055480
O=C(N1CCCc2c(C1)cco2)Nc1cccc2c1CN(C2=O)C	EMOLS-id_101854435	325.362	FEQGFPZHLUAPQD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-055481
c12CN(CCCn1nc(CNc1oc3c(cccc3)n1)c2)C(=O)C	ZINC22_82120413,MCULE-4964127402,PC-id_70747982,EMOLS-id_44438711	325.365	IKEYEUXSRDTTMF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055482
c12CN(CCCn1nc(C#N)c2)Cc1cccc(c1)OCC(=O)N	ZINC22_826805811,EMOLS-id_232900695,MCULE-1742804258	325.365	YTGLEZKERUVYDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055483
c12CN(CCCn1nc(CO)c2)Cc1cnc(nc1)c1ccco1	PC-id_90652396,EMOLS-id_50544465,MCULE-5308830722,ZINC22_221300506	325.365	MBZCESWLIWOGJX-UHFFFAOYSA-N	00000000101000100101100000000010000000000000000000000000	31-01-055484
c1(ccc2n(cc(n2)C)c1)C(=O)N1CCCn2nc(CO)cc2C1	PC-id_91785875,EMOLS-id_55676759,MCULE-8789539134	325.365	KTOGONCZAMXRLG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055485
c1ccc(cn1)OCc1nnn2c1CN(CCC2)Cc1ccco1	PC-id_97405222	325.365	ILWVZRXKSNNDKW-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-055486
c1ccc(cn1)OCc1nnn2c1CN(CCC2)Cc1cocc1	PC-id_97519090	325.365	LDUCMURWDMZTNJ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-055487
c1ccc(nc1)OCc1nnn2c1CN(CCC2)Cc1ccco1	PC-id_97405215	325.365	FCPSUHNREIBNFV-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-055488
c1ccc(OCc2nnc3n2CCN(Cc2ccco2)CC3)nc1	PC-id_97381530,EMOLS-id_46148043,ZINC22_96058873	325.365	IZFMDDRYBYNVLS-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-055489
c1ccc(OCc2nnc3n2CCN(Cc2ccoc2)CC3)nc1	ZINC22_96058874,EMOLS-id_46148045,PC-id_97381531	325.365	UDJKJXCJLKNPOI-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-055490
c1(ccc(=O)[nH]c1C(C)C)C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_2100548303,EMOLS-id_337641956,MCULE-7781859500	325.365	XOMQOWSKIMCCHV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055491
c1cnc(OC[C@@H]2CCn3nccc3CN2Cc2ccco2)nc1	ZINC22_585097687	325.365	PNOBVTNVJVPQIZ-HNNXBMFYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-055492
c1cnc(OC[C@H]2CCn3nccc3CN2Cc2ccco2)nc1	ZINC22_585097688	325.365	PNOBVTNVJVPQIZ-OAHLLOKOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-055493
c1coc(CN2Cc3ccnn3CC[C@H]2COc2cnccn2)c1	ZINC22_585096742	325.365	BTOVBWBVLFXDTD-HNNXBMFYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-055494
c1coc(CN2Cc3ccnn3CC[C@@H]2COc2cnccn2)c1	ZINC22_585096743	325.365	BTOVBWBVLFXDTD-OAHLLOKOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-055495
c1(C(=O)O)c(C)nc(c(C#N)c1)NCc1c2CCCCCc2[nH]n1	EMOLS-id_316249366,ZINC22_1506399802,MCULE-9652519268	325.365	QGFJLSYUPXHNFA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055496
Cc1cc2c(cc1C)occ2C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179627	325.365	NLSWVQMNWIIMSL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055497
Cc1ccc2n(c1)c(CNC(=O)c1noc3c1CCCCC3)nn2	EMOLS-id_258111450	325.365	VHAKNHPSIMFWKW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055498
Cc1ccc(CN2Cc3ccnn3C[C@@H](Oc3ncccn3)C2)o1	ZINC22_306143368	325.365	YAIMSROKSCNEPG-INIZCTEOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-055499
Cc1ccc(CN2Cc3ccnn3C[C@H](Oc3ncccn3)C2)o1	ZINC22_306143369	325.365	YAIMSROKSCNEPG-MRXNPFEDSA-N	00000000101000100101000000000010000000000000000000000000	31-01-055500
Cc1ccc(C(=O)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)o1	PC-id_97463001,ZINC22_96188567	325.365	ONISWNHTOCXMIX-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055501
Cc1ccc(C(=O)N2Cc3nccn3C[C@H](Cn3cccn3)C2)o1	ZINC22_96188566,PC-id_97463000	325.365	ONISWNHTOCXMIX-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055502
Cc1ccc(C(=O)N2CCc3ncc(Cn4cccn4)n3CC2)o1	PC-id_97467104,EMOLS-id_44328851,ZINC22_96196960	325.365	PMTXTRJVKLBMJK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055503
Cc1cc(CN2Cc3ccnn3C[C@@H](Oc3ccccn3)C2)no1	ZINC22_306139431	325.365	SWZAGEJVHYKGTA-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055504
Cc1cc(CN2Cc3ccnn3C[C@H](Oc3ccccn3)C2)no1	ZINC22_306139432	325.365	SWZAGEJVHYKGTA-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055505
Cc1cc(CN2CC(Cn3nccc3C2)Oc2ccccn2)no1	EMOLS-id_50015166	325.365	SWZAGEJVHYKGTA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-055506
Cc1ccc(o1)C(=O)N1CC(Cn2cccn2)Cn2ccnc2C1	EMOLS-id_44326409	325.365	ONISWNHTOCXMIX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055507
Cc1ccoc1C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1	PC-id_97462998,ZINC22_96188564	325.365	XWODZPIZLOJEPV-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055508
Cc1ccoc1C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	ZINC22_96188565,PC-id_97462999	325.365	XWODZPIZLOJEPV-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055509
Cc1ccoc1C(=O)N1CCc2ncc(Cn3cccn3)n2CC1	PC-id_97467100,ZINC22_96196956,EMOLS-id_44328843	325.365	JZTTVJJANPKSAR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055510
Cc1ccoc1C(=O)N1CC(Cn2cccn2)Cn2ccnc2C1	EMOLS-id_44326407	325.365	XWODZPIZLOJEPV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055511
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)nc2c1c(C)no2	EMOLS-id_319507132	325.365	IDKLFXCJJBCZSR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055512
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(nc1c1cocc1)C	EMOLS-id_319265508	325.365	SCKWOFNGKUKINO-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-055513
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc2c(c1)[nH]c(=O)[nH]2	EMOLS-id_318881284	325.365	QAZRPIIHADIRQE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055514
CC1CN(Cc2nnc(o2)c2cccc(c2)O)Cc2c(C1)[nH]nc2	EMOLS-id_319530473	325.365	XDOICEFEQNGIBE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-055515
Cc1nc2onc(c2c(c1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101669227	325.365	LWKXKSNXSDAFCY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055516
Cc1nc(C2CC2)oc1C(=O)[C@@H](C#N)c1nnc2n1CCCCC2	ZINC22_241586447	325.365	OWBZNBODASMTCA-GFCCVEGCSA-N	00100000100000000101100000000010000000000000000000000000	31-01-055517
Cc1nc(C2CC2)oc1C(=O)[C@H](C#N)c1nnc2n1CCCCC2	ZINC22_241586448	325.365	OWBZNBODASMTCA-LBPRGKRZSA-N	00100000100000000101100000000010000000000000000000000000	31-01-055518
Cc1occc1C(=O)N1CCc2ncc(Cn3cccn3)n2CC1	ZINC22_96196950,EMOLS-id_44328831,PC-id_97467094	325.365	UFVQELLBWHMOBK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055519
CCc1noc2c1cc(cn2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670172	325.365	ZFSSQIKDMDTCNQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055520
Cn1cc(c(n1)c1cnn(c1)C)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99418339	325.365	AYVQGSXVIHRFNC-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-055521
CN(c1nc(=O)c2c(c(=O)[nH]1)ncn2Cc1ccc(c(c1)C)C)C	CoCoCo_1576510	325.365	AFNPHPXXJCPXGP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-055522
COc1cccc2c(C(=O)N3CCCc4c(cnn4C)C3)n[nH]c12	ZINC22_334015540,EMOLS-id_101678276,MCULE-5662109059	325.365	YMXAUZKHCJQHFN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055523
COc1cccc2n1ncc2C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319273363	325.365	IBUQQLAKBFRVFH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055524
COc1ccc(cc1NC(=O)N1CCCc2c(C1)cnn2C)C#N	EMOLS-id_101967249	325.365	HGCKVHUHIYHTQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055525
COc1cccn2c1c(cn2)C(=O)N1CCCc2c(C1)cnn2C	MCULE-3383213019,EMOLS-id_320023909	325.365	UAPPCLVWKTWXKM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055526
COc1cccn2c1c(cn2)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320221266,MCULE-5248160190	325.365	BSHMEIMOFIMTQX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055527
COc1ccn2c(c1)ncc2C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_102132034	325.365	QBQRBEXJHDEBHA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055528
COc1ccn2c(c1)ncc2C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319230565	325.365	GGBNAAZPCBPJMJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055529
C(Oc1cnccn1)C1CCn2nccc2CN1Cc1ccco1	EMOLS-id_313743030	325.365	BTOVBWBVLFXDTD-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-055530
C(Oc1ncccn1)C1CCn2nccc2CN1Cc1ccco1	EMOLS-id_313821217	325.365	PNOBVTNVJVPQIZ-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-055531
COCc1nnc2CCC(CCn12)NC(=O)c1ccc(cc1)C#N	PC-id_91922594,MCULE-1117454480,EMOLS-id_50590315	325.365	MFDJGSRTHLJCBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055532
CO[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2ccnn2C1	ZINC22_248055454	325.365	OIFTUYIOVHOJMT-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055533
CO[C@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2ccnn2C1	ZINC22_248055456	325.365	OIFTUYIOVHOJMT-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055534
N#CC(c1nnc2n1CCCCC2)C(=O)c1noc2c1CCCC2	EMOLS-id_98138359	325.365	DZWBAJWWWJELEX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-055535
N#CC(c1nnc2n1CCCCC2)C(=O)c1oc(nc1C)C1CC1	MCULE-6973687227,EMOLS-id_76025343,PC-id_121567285	325.365	OWBZNBODASMTCA-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-055536
O=c1cccnn1CC1CN(Cc2ccoc2)Cc2nccn2C1	EMOLS-id_46160781	325.365	VREUNMWEVGSINI-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-055537
O=c1cccnn1C[C@H]1CN(Cc2ccoc2)Cc2nccn2C1	PC-id_97389471,ZINC22_96067152	325.365	VREUNMWEVGSINI-HNNXBMFYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-055538
O=c1cccnn1C[C@@H]1CN(Cc2ccoc2)Cc2nccn2C1	PC-id_97389472,ZINC22_96067153	325.365	VREUNMWEVGSINI-OAHLLOKOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-055539
O=C(c1ccc2c(c1)cc[nH]2)NCC1COCc2n(C1)nnc2C	PC-id_118739736	325.365	YRUBCUZZGXPPJY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055540
O=C(c1ccc2c(c1)n(C)c(=O)[nH]2)N1CCCc2c(C1)cnn2C	EMOLS-id_101674700	325.365	WBSDUTFGKRTOMG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055541
O=C(c1cn[nH]c1c1ccco1)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316669527	325.365	YUAQJHYXDRHUBC-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-055542
O=C(c1oc2c(c1)cc(c(c2)C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102158287	325.365	ORMAORVDKKZWEP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055543
O=C(c1oc2c(c1C)cccc2C)NC1CCn2c(CC1)nnn2	EMOLS-id_102162727	325.365	XAPUMDNMCUVXDM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055544
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c12C(CCCCn1nnn2)C(=O)NCCc1[nH]c2c(cccc2)n1	PC-id_74243530,EMOLS-id_49666310,MCULE-8809604109	325.368	QLSQHVUSSBQDDE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055551
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Cc1ccc2nc(CNC(=O)[C@H]3CCCCn4nnnc34)[nH]c2c1	ZINC22_827731779	325.368	FQFWTFNGKKPGCH-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-055556
CC1(C)Cc2n[nH]cc2CN(C(=O)Nc2ccnc3ccnn23)C1	ZINC22_934982661,EMOLS-id_316972716,MCULE-8066201203	325.368	VXNCNDCTAUIPAR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055557
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Cc1cccn2cc(CNC(=O)[C@H]3CCCCn4nnnc34)nc12	ZINC22_299796867	325.368	ODAOMDHXQGYZOE-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055559
Cc1ccn2cc(CNC(=O)[C@@H]3CCCCn4nnnc34)nc2c1	ZINC22_299761345	325.368	JTRRTODZKRRJCM-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055560
Cc1ccn2cc(CNC(=O)[C@H]3CCCCn4nnnc34)nc2c1	ZINC22_299761347	325.368	JTRRTODZKRRJCM-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055561
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CN(C(=O)c1cccc2n1nnc2)Cc1nnc2n1CCCCC2	EMOLS-id_319597708	325.368	BXWDECUNTYDXNQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055566
CN(C(=O)c1cccn2c1ncn2)Cc1nnc2n1CCCCC2	EMOLS-id_319530883	325.368	DFXZBBZIHJAPJU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055567
CN(C(=O)c1cccn2c1nnc2)Cc1nnc2n1CCCCC2	EMOLS-id_319962622,MCULE-9123416780	325.368	ZRXFAQKGILNXQV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055568
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CC1CN(Cc2ccn(n2)c2cccc(c2)F)Cc2c(C1)[nH]nc2	EMOLS-id_318898845	325.383	HNWPBCDABUTKDV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-055603
CS(=O)(=O)N1CCCn2cnc(COCc3ccco3)c2C1	PC-id_97520071,ZINC22_96259991,EMOLS-id_44371514	325.383	CIYBODYDOMUENI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055604
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S1(=O)(=O)N(Cc2cc(OC)ccc2)COCc2c1scc2	PC-id_10568086	325.403	SKZQCLZEPYRKEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055630
c1(c2CCCCCc2n[nH]1)C(=O)N1CCOC(c2ccccc2)C1	EMOLS-id_50402378,STOCK7S-45465,PC-id_75356960,MCULE-6394689507,EMOLS-id_49245475	325.405	YZCYLLNGFDXZMN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055631
c1(CN(C)C(=O)c2cccc3COCc23)c2CCCCCc2[nH]n1	EMOLS-id_336475599,MCULE-5017027628,ZINC22_1940197860	325.405	XNAQEUCHBUYQKX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055632
c1(C(=O)N2CCN(CC2)c2ccccc2)c2CCCCCc2on1	STOCK6S-92556,PC-id_17253365,TIMTEC219743,ZINC22_2465826,EMOLS-id_15972018,CoCoCo_6868098,MCULE-3371469045	325.405	IMXFOMYOWQXPCU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055633
CC1CC1C(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_55750801	325.405	VZIBIKGPFZPFEU-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055634
CC1CC1C(=O)N1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_55750793	325.405	LYCZPULROVWYKR-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055635
CC1CC1C(=O)N1CC(Cn2cccc2C1)OCc1ccncc1	EMOLS-id_55750969	325.405	UROPLPAMPKBYJY-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055636
CC1(Cc2c(CN(C1)CC(c1cc3ccccc3o1)O)cn[nH]2)C	MCULE-3513554412,EMOLS-id_317378313,PC-id_136562976	325.405	HLBQFPIPZUUMIJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055637
CC1CC(N(C1)C(=O)c1noc2c1CCCCC2)c1cccnc1	EMOLS-id_100141032	325.405	SYLCYDXRASQYKV-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-055638
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)Cc1ccc(cc1)O	EMOLS-id_319407916	325.405	OGYADZWDBBQXTC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055639
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)CC(O2)(C)C	EMOLS-id_318914485	325.405	ZQXQIMQWAUUPRW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055640
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)C1COCC1	MCULE-9934940478,EMOLS-id_320016955	325.405	JCEWOTMEEOWXNV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055641
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1OC1CCC1	EMOLS-id_319062458	325.405	KLCMHFAOSIELBG-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-055642
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)OCC1CC1	EMOLS-id_319022772	325.405	RRMDAQLKYIOSBD-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055643
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1OCC1CC1	MCULE-1384490466,EMOLS-id_320117197	325.405	QPLXIMVFMGVSJR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055644
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCCO1)c1ccccc1	EMOLS-id_318959679	325.405	RGRRNTBRXQWEEH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055645
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1Oc2c(C1)cc(c(c2)C)C	EMOLS-id_318857905	325.405	VOAGHRCSCDRZEY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055646
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1ccc2c(c1)CCC2	EMOLS-id_320169976,MCULE-3839943904	325.405	MVOIBJPZKJNFHA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055647
CCc1c(c2ccccc2o1)CN1CCCn2c(cc(n2)CO)C1	MCULE-4508312800,PC-id_91776033,EMOLS-id_55648186	325.405	VBCXRPYQDHERHF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055648
CCc1cccc(c1NC(=O)c1n[nH]c2c1CCCCC2=O)CC	SCHEMBL12698141,PC-id_68358099	325.405	PGFPXLZQHJNMOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055649
C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_575406208	325.405	VZIBIKGPFZPFEU-FHLIZLRMSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055650
C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_575406210	325.405	VZIBIKGPFZPFEU-JLSDUUJJSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055651
C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_575406212	325.405	VZIBIKGPFZPFEU-OLMNPRSZSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055652
C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_575406214	325.405	VZIBIKGPFZPFEU-ZTFGCOKTSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055653
C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_575404398	325.405	LYCZPULROVWYKR-FHLIZLRMSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055654
C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_575404399	325.405	LYCZPULROVWYKR-JLSDUUJJSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055655
C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_575404401	325.405	LYCZPULROVWYKR-OLMNPRSZSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055656
C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_575404403	325.405	LYCZPULROVWYKR-ZTFGCOKTSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055657
C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_575405881	325.405	UROPLPAMPKBYJY-FHLIZLRMSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055658
C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_575405882	325.405	UROPLPAMPKBYJY-JLSDUUJJSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055659
C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_575405883	325.405	UROPLPAMPKBYJY-OLMNPRSZSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055660
C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_575405885	325.405	UROPLPAMPKBYJY-ZTFGCOKTSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055661
CN(CCn1ccc2c1C(=O)N(CCC2=O)Cc1ccccc1)C	PC-id_20085250,SCHEMBL6985753	325.405	XGBRRYAISZUZFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-055662
COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319430639	325.405	KMUJRQLUQLLCNS-FFPFEORLSA-N	00100000100000110101100000000010000000000000000000000000	31-01-055663
COC1CN(Cc2ccnn2C1)C(=O)CC1Cc2ccccc2C1	EMOLS-id_50008720	325.405	GLMILHHQVWUYMJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055664
CO[C@@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2ccnn2C1	ZINC22_247828269	325.405	GLMILHHQVWUYMJ-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055665
CO[C@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2ccnn2C1	ZINC22_247828270	325.405	GLMILHHQVWUYMJ-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055666
NCCC1CN(c2c1cccc2)C(=O)c1noc2c1CCCCC2	EMOLS-id_319769665	325.405	LYMYAUFEXJRSKS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055667
Oc1ccc(cc1)C1(CC1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-1118118085,EMOLS-id_319940058	325.405	LJIHMGDCBYHOPA-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-055668
O=C(C1CCC1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_575405900	325.405	UUXMRBJHMMLAJC-GOSISDBHSA-N	00001000100000101101000000000010000000000000000000000000	31-01-055669
O=C(C1CCC1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_575405901	325.405	UUXMRBJHMMLAJC-SFHVURJKSA-N	00001000100000101101000000000010000000000000000000000000	31-01-055670
O=C(C1CCC1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_575406616	325.405	ZERABHAOVJJCAG-GOSISDBHSA-N	00001000100000101101000000000010000000000000000000000000	31-01-055671
O=C(C1CCC1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_575406617	325.405	ZERABHAOVJJCAG-SFHVURJKSA-N	00001000100000101101000000000010000000000000000000000000	31-01-055672
O=C(C1CCC1)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_575402655	325.405	AFOVPIHIBCKKIE-GOSISDBHSA-N	00001000100000101101000000000010000000000000000000000000	31-01-055673
O=C(C1CCC1)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_575402657	325.405	AFOVPIHIBCKKIE-SFHVURJKSA-N	00001000100000101101000000000010000000000000000000000000	31-01-055674
O=C(C1CCC1)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_55750789	325.405	UUXMRBJHMMLAJC-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-055675
O=C(C1CCC1)N1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_55750791	325.405	ZERABHAOVJJCAG-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-055676
O=C(C1CCC1)N1CC(Cn2cccc2C1)OCc1ccncc1	EMOLS-id_55750783	325.405	AFOVPIHIBCKKIE-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-055677
O=C(c1cccc2c1COC2)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319436006	325.405	IFAFZKFWMQAQPR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055678
O=C(c1n[nH]c2c1CCCCC2)N1CCO[C@@H](c2ccccc2)C1	PC-id_97489411,ZINC22_96223172	325.405	YZCYLLNGFDXZMN-QGZVFWFLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055679
O=C(c1n[nH]c2c1CCCCC2)N1CCO[C@H](c2ccccc2)C1	ZINC22_96223170,PC-id_97489409	325.405	YZCYLLNGFDXZMN-KRWDZBQOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055680
O=C(c1noc2c1CCCCC2)N1CCC(C1)Nc1ccccc1	EMOLS-id_100961097	325.405	GLASAMWQUSTBMA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-055681
O=C(c1noc2c1CCCCC2)N1CCC(CC1)c1ccncc1	EMOLS-id_111330587	325.405	BYSHZWWZEOHOMQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-055682
O=C(c1noc2c1CCCCC2)N1CCNC(C1)c1ccccc1	EMOLS-id_101506767	325.405	CGHRHBKESROBNY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055683
O=C(c1noc2c1CCCCC2)N1CCNCC1c1ccccc1	EMOLS-id_102113310	325.405	MEPMJHMMVWDZMO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055684
O=C(c1noc2c1CCCCC2)N(c1ccccn1)C1CCCC1	EMOLS-id_172335647,PC-id_122150894,ZINC22_130649356,MCULE-6119072887	325.405	YDICBRWPJNNHLR-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-055685
O=C(CC1CC1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_575406205	325.405	VYWMEUKLUCOYKA-GOSISDBHSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055686
O=C(CC1CC1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_575406207	325.405	VYWMEUKLUCOYKA-SFHVURJKSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055687
O=C(CC1CC1)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_55751507	325.405	VYWMEUKLUCOYKA-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055688
O[C@@H]1C[C@](C1)(c1ccccc1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_278918402	325.405	SLJSIUBMGQFVJM-UWUNEBHHSA-N	00001000100000110101100000000010000000000000000000000000	31-01-055689
O[C@@H]1C[C@](C1)(c1ccccc1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-2123571257,EMOLS-id_319985359	325.405	WXUDMMJLEBNEFT-YQQVFIKDSA-N	00001000100000110101100000000010000000000000000000000000	31-01-055690
O=C(N1CCCc2c(C1)c[nH]n2)c1ccc(cc1)C1CCOCC1	MCULE-1471136036,EMOLS-id_316462353	325.405	CCQZUQAUZAGRKP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055691
OC(=O)CCc1nn2CCCN(Cc2c1)C/C=C/c1ccccc1	PC-id_56882594	325.405	YDQNYKRMXUAZAF-XBXARRHUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055692
OC(=O)CCc1nn2CCCN(Cc2c1)CC=Cc1ccccc1	PC-id_72083040	325.405	YDQNYKRMXUAZAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055693
N#CC(=C/C=C(/c1ccc2-c1ccccc2)C=CN1CCCC1)C#N	PC-id_102344626	325.406	YVISMUMDAUHECY-KYAPIIBJSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055694
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)c1cccs1	EMOLS-id_112056929	325.406	PDAWIWQHZVDQJY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-055695
c12CN(CCCn1nc(C#N)c2)Cc1onc(C2CCCCC2)c1	EMOLS-id_316154068,MCULE-7418708453,ZINC22_1506398711	325.408	RXKAGRFFONQQHF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-055696
C1CC1N(CCc1ccccc1)C(=O)C1CCc2nnnn2CC1	EMOLS-id_316881587,PC-id_136549873,MCULE-5200913827	325.408	TUYPKICOVVCQQJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055697
C1CCc2nnc(n2CC1)CN1CC(=O)NCC1c1ccccc1	PC-id_136564025,EMOLS-id_316946085,MCULE-7670285181	325.408	RCRHMGHXIZCDDG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055698
C[C@]1(c2ccccc2)CCCN1C(=O)[C@H]1CCc2nnnn2CC1	ZINC22_920953942	325.408	HYCMSVMPZDTMFU-KBXCAEBGSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055699
C[C@@]1(c2ccccc2)CCCN1C(=O)[C@@H]1CCc2nnnn2CC1	ZINC22_920953943	325.408	HYCMSVMPZDTMFU-KDOFPFPSSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055700
C[C@@]1(c2ccccc2)CCCN1C(=O)[C@H]1CCc2nnnn2CC1	ZINC22_920953945	325.408	HYCMSVMPZDTMFU-KSSFIOAISA-N	00000010100000110101100000000010000000000000000000000000	31-01-055701
C[C@]1(c2ccccc2)CCCN1C(=O)[C@@H]1CCc2nnnn2CC1	ZINC22_920953947	325.408	HYCMSVMPZDTMFU-RDTXWAMCSA-N	00000010100000110101100000000010000000000000000000000000	31-01-055702
CC1(Cc2c(CN(C1)C(=O)Nc1ncc(cc1)C1CC1)cn[nH]2)C	PC-id_136564251	325.408	XDJLBZAOEBCYKY-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-055703
Cc1ccccc1C1(CCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179588	325.408	BKFBALWRVLCZNA-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-055704
Cc1cc(C)cc(c1)C1(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164509	325.408	MDHSERAEDUBIEB-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-055705
Cc1cc(C)nc(n1)C1CN(C1)C(=O)c1cnc2n1CCCCC2	MCULE-9318764768,EMOLS-id_258161770	325.408	AZQROORUKGEREL-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-055706
Cc1cc(C)nc(n1)C1CN(C1)C(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_279039200	325.408	KWAIOVVUSJEOCE-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-055707
Cc1c(cc([nH]1)CN1CCCn2c(cc(n2)C(C2CC2)O)C1)C#N	PC-id_91798186	325.408	MHUMIRYLZCKMFB-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-055708
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1)N1CCCC1	EMOLS-id_318890847	325.408	NRHADPVIWGFTNX-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-055709
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccnc1N1CCCC1	EMOLS-id_319834635	325.408	BQKQRUJAGVZOTM-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-055710
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nccc(c1)N1CCCC1	EMOLS-id_319009403	325.408	KJZYQRJDZCWPBL-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-055711
Cc1nc2c(o1)cccc2CNCCc1nnc2n1CCCCC2	EMOLS-id_319668351	325.408	LJFSCSKJCBCBRN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-055712
Cc1oc(cc1C)CN1CCn2c(CC1)ncc2Cn1cccn1	PC-id_97467110	325.408	MFNPVXZIDPRYRW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055713
CCc1ccc(o1)CN1CCc2n(CC1)c(cn2)Cn1cccn1	PC-id_97467080	325.408	VLXYQLJJADDIAI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-055714
C=CCNC(=O)CN1CCc2nnc(Cc3ccccc3)n2CC1	ZINC22_252495840,MCULE-1517361124,PC-id_91840284,EMOLS-id_55685063	325.408	PCSDSRIMRWCYIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055715
C[C@@H]1Cc2ccccc2N1C(=O)NCc1nnc2n1CCCCC2	PC-id_94024658,ZINC22_44935336	325.408	KNQMWXJRWNOMHP-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055716
C[C@H]1Cc2ccccc2N1C(=O)NCc1nnc2n1CCCCC2	ZINC22_44935339,PC-id_94024659	325.408	KNQMWXJRWNOMHP-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-055717
C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCCc2n[nH]cc2C1	MCULE-5664799512,PC-id_139020528,EMOLS-id_320362599,ZINC22_1776007375	325.408	OIAILXIXNLWDAC-UKRRQHHQSA-N	00000010100000101101100000000010000000000000000000000000	31-01-055718
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COCc1nnc2n1CCN(Cc1cccc3[nH]ccc13)[C@@H](C)C2	ZINC22_585097900	325.408	OTNOIAJIMBQLDK-ZDUSSCGKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055724
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c1(NC(=O)CCC(=O)NCCOC)sc2c(CCCCC2)n1	MCULE-5109019599,EMOLS-id_334891223	325.426	PQNDBQBONVDLLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055822
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CC(C(=O)O)CN(C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_72881257,PC-id_122092694,MCULE-1303439271	325.426	VICIDEUINDGGFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055824
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COCCN1CCc2c(CC1)nc(s2)C(=O)N1CCOCC1	PC-id_97389076	325.426	KNIACTRHFQHWRH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055827
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OCC1CN(CC1O)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101598588	325.426	ADDHLEOVCFMTML-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055836
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OCC1OC(C)CN(C1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111310386	325.426	NOLHWONEHFQSTM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055838
OCC1OCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111889895	325.426	RQUILMVXDCWVHP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055839
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c1(c2ccccc2n(C)c1)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-9327574271	325.428	APMIKINEMGVGEQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055857
c1(cc2c(cccc2)n1C)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323248769,MCULE-3720107987	325.428	SNXXMOJUQHAWDI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055858
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c1(sc2c(CCCCC2)n1)NC(=O)c1cccc2c1ccn2C	EMOLS-id_323311248,MCULE-2643093931	325.428	AHNRNFCOVGRJPG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055864
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Cc1sc2c(n1)CCCCN2C(=O)c1[nH]c2c(c1)ccc(c2)C	MCULE-5922967721,EMOLS-id_320100188	325.428	GKJMNGVWNBKODY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-055872
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S(c1n2CCCCCc2nn1)CC(=O)NC(=O)N[C@@H](CC)C	PC-id_7877544	325.43	NDBNZIXVUDATMJ-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055897
S(c1n2CCCCCc2nn1)CC(=O)NC(=O)N[C@H](CC)C	PC-id_7877545	325.43	NDBNZIXVUDATMJ-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-055898
c1ccc(Cc2nnc3n2CCN(Cc2cscn2)CC3)cc1	PC-id_91828823,MCULE-7013703602,ZINC22_244899965,EMOLS-id_55604822	325.431	ZTPULKFFIMCIKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055899
c1cnn(c2ccc(CSc3nnc4n3CCCCC4)cc2)c1	PC-id_17458440,EMOLS-id_13499025,CoCoCo_4311462,MCULE-2818058408,ZINC22_14168426	325.431	BYPSDWRAASVVMZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-055900
CC1CN(Cc2nnc(s2)c2ccccc2)Cc2c(C1)[nH]nc2	MCULE-8419546746,EMOLS-id_320041930	325.431	QRWZNDOLVZZHBP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-055901
n12CCCCCc1nnc2C[NH2+]Cc1n(c2c(n1)cccc2)CC	PC-id_51965205	325.431	RIRQVARXHBWKCJ-UHFFFAOYSA-O	00000000100000100101000001000010000000000000000000000000	31-01-055902
N#C/C(=C(NCc1ccccc1)/S)/c1nnc2n1CCCCC2	CoCoCo_3719633	325.431	ZMUCWPSMRGKHSV-VKAVYKQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-055903
N#C/C(=C(/NCc1ccccc1)S)/c1nnc2n1CCCCC2	CoCoCo_3719634	325.431	ZMUCWPSMRGKHSV-SAPNQHFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-055904
N#CC(=C(NCc1ccccc1)S)c1nnc2n1CCCCC2	MCULE-4356416517,EMOLS-id_26162505	325.431	ZMUCWPSMRGKHSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055905
S(c1n2CCCCCc2nn1)Cc1cn(nc1)c1ccccc1	PC-id_60359456	325.431	WCGURCTVLOLLQV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-055906
S=C(NCc1ccccc1)/C(=C
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S=C(NCc1ccccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_6789987	325.431	IKFTZIMFHMPEIU-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-055908
S=C(NCc1ccccc1)C(c1n2CCCCCc2nn1)C#N	PC-id_7312903	325.431	BBCRGXDHVKDYJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055909
O=C(NC1CCn2c(CC1)nnn2)NCCN1CCSCC1	EMOLS-id_102178043	325.433	ZEVJUTSSQUXGNY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055910
[O-][N+](=Cc1c2-c(c(c1)C(=O)C)c(ccc(C(C)C)c2)C)C(C)(C)C	PC-id_59911722	325.445	QHYGDHOOTGHMOZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055911
s1c2c(CCCCC2)cc1C(=O)N1C(CSCC1)C(=O)O	PC-id_78979762	325.446	CLXSUNANTPCFNR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055912
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](C)C)C(=O)OCC	PC-id_7457772	325.446	KKJIXFQQVJNBTH-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-055913
s1c2c(CCCCCC2)cc1C(=O)N1C(CSC1)C(=O)O	PC-id_43359372	325.446	AOCVPZFQWZZKDP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055914
s1c2c(CCCCCC2)cc1C(=O)N1[C@@H](CSC1)C(=O)O	PC-id_61144172	325.446	AOCVPZFQWZZKDP-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-055915
S1CC(NC(=O)c2sc3c(CCCCC3)c2)(CC1)C(=O)O	PC-id_61685882	325.446	DFHPXMNLOWUPTG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-055916
S1C(N(C(C1)C(=O)O)C(=O)c1sc2c(CCCCC2)c1)C	PC-id_63791592	325.446	RQBVVRUGOYGLMQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055917
c1ccc(CCN2Cc3ccnn3C[C@@H](COCC3CC3)C2)cc1	ZINC22_2055708151	325.448	RUMQDGQUTGXZQW-IBGZPJMESA-N	00100000100000110101000000000010000000000000000000000000	31-01-055918
c1ccc(CCN2Cc3ccnn3C[C@H](COCC3CC3)C2)cc1	ZINC22_2055708152	325.448	RUMQDGQUTGXZQW-LJQANCHMSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055919
c1ccc(CCN2Cc3cncn3C[C@H](COCC3CC3)C2)cc1	PC-id_97474391,ZINC22_96206229	325.448	KOWHMWVMHBYBGD-LJQANCHMSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055920
c1ccc(CCN2Cc3cncn3C[C@@H](COCC3CC3)C2)cc1	PC-id_97474392,ZINC22_96206230	325.448	KOWHMWVMHBYBGD-IBGZPJMESA-N	00100000100000110101000000000010000000000000000000000000	31-01-055921
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccc(cc1)C(C)C	EMOLS-id_319328942	325.448	NPBRKDKFWONOKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055922
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(c1ccccc1)C(C)C	EMOLS-id_319761437	325.448	UFEHNTXTEPDCEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055923
CCc1ccc(cc1)C(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)(C)C	EMOLS-id_318875910	325.448	AETMXNAQAZCFOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055924
C(Cc1ccccc1)N1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49228261	325.448	KOWHMWVMHBYBGD-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055925
C(Cc1ccccc1)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_313722843	325.448	RUMQDGQUTGXZQW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-055926
CCC(c1ccc(cc1)C)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318211645	325.448	HBISCABTVBLKNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055927
CC(C)CNC(=O)c1ccc2CN(Cc3ccccc3)CCCn12	EMOLS-id_317416538,MCULE-9589309897	325.448	VIQBYQPTXKPLEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055928
C[C@H](NC(=O)Cn1cc2c(n1)CCCCC2)CCc1ccccc1	CoCoCo_2227293	325.448	UQBJIRFZSVVEKX-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055929
C[C@@H](NC(=O)Cn1cc2c(n1)CCCCC2)CCc1ccccc1	CoCoCo_2227294	325.448	UQBJIRFZSVVEKX-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055930
CCN(CC)C(=O)c1ccc2CN(Cc3ccccc3)CCCn12	EMOLS-id_317418586,MCULE-6017062496	325.448	CWRRKXZLYCKDBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055931
CCN(C(=O)Cn1nc2c(c1)CCCCCC2)Cc1ccccc1	EMOLS-id_11073632,CoCoCo_2227295,PC-id_6625280,MCULE-5680358540	325.448	BMBFWWDDWDVVLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055932
Cn1ncc2c1CCCN(C2)CC1(COCC1)Cc1ccccc1	EMOLS-id_319811745	325.448	IWESJGJGTZTXPZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-055933
O=C(Cn1nc2c(c1)CCCCCC2)NCCCc1ccccc1	CoCoCo_2227299,PC-id_20892486	325.448	FYHSJWRJTGOXBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055934
O=C(NC(CCc1ccccc1)C)Cn1nc2CCCCCc2c1	PC-id_20892465	325.448	UQBJIRFZSVVEKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055935
c12C(=O)NCCCc1nc(NC(=O)CSC1CCCC1)s2	EMOLS-id_48619000,ZINC22_96124372,MCULE-3316079752,PC-id_72719956	325.45	GTODGWOKYDDMAG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055936
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1sc(c(c1)C)C	EMOLS-id_319434248	325.45	SEMBNDJQIRVORE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-055937
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1sc(cc1C)C	EMOLS-id_319795185	325.45	FPRYELYHICTDDG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-055938
Cc1cc(c(s1)S(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101951025	325.45	MTSYSOLLBGPKOB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-055939
Cc1sc(cc1C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948700	325.45	DWZUDCHRJYTSQK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-055940
CC(C)n1cnc(S(=O)(=O)N2CCCc3sccc3C2)c1	ZINC22_195545267,MCULE-5015008421,PC-id_99850428,EMOLS-id_50609970	325.45	IKVGEGJZCHBIPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055941
CCC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_953828,ZINC22_558577	325.45	GTZQBSXXEXVLMP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055942
O=C(CCN1CCSC1=O)Nc1nc2c(s1)CCCCC2	ZINC22_44894802,MCULE-9943886543,EMOLS-id_44038060,PC-id_45803429	325.45	PPQXLZUJXNNTLN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055943
O=C(CN1CSCC1=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644588	325.45	OGMLAGARSLHWNU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055944
O=C(C(=O)Nc1nc2c(s1)CCCCC2)N1CCSCC1	EMOLS-id_111810187	325.45	JPPGQWRXLXUKDJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055945
C1CCC(C1)NCc1ncn2c1CN(CCC2)Cc1cccnc1	PC-id_97405475	325.451	YQWMIKXBPFQSKH-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-055946
c1ccc(cc1)C1CCC(CC1)CNC1CCn2c(CC1)nnn2	MCULE-5545623689,EMOLS-id_318374592	325.451	FEGNCZQNODRCPU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055947
c1ccc(cc1)N1CCC(CC1)NCc1nnc2n1CCCCC2	MCULE-2779916663,EMOLS-id_318267120	325.451	NKFFHSFZBUGNMH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055948
c1ccc(cc1)NC1CCCN(C1)Cc1nnc2n1CCCCC2	MCULE-1404867635,EMOLS-id_318333723	325.451	XBICYZGDAFWURA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-055949
c1ccc(cc1)NC1CCN(CC1)Cc1nnc2n1CCCCC2	MCULE-6849880396,EMOLS-id_318695700	325.451	GJXHOFPTERCCGQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-055950
c1ccc(cn1)C1CCCC(C1)NCc1nnc2n1CCCCC2	EMOLS-id_318684767,MCULE-5624240075	325.451	NVUITWKYBMSFNH-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-055951
c1ccc(CN2Cc3ccnn3C[C@@H](CN3CCCCC3)C2)nc1	ZINC22_306124232	325.451	BKEMJXSYMFQFSZ-KRWDZBQOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-055952
c1ccc(CN2Cc3ccnn3C[C@H](CN3CCCCC3)C2)nc1	ZINC22_306124233	325.451	BKEMJXSYMFQFSZ-QGZVFWFLSA-N	00000000100010101101000000000010000000000000000000000000	31-01-055953
c1ccc(CN2CCc3ncc(CN4CCCCC4)n3CC2)nc1	EMOLS-id_44328703,ZINC22_96196885,PC-id_97467029	325.451	IBWAICLZTUGFCH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-055954
c1ccc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	EMOLS-id_31877342,ZINC22_42596441,MCULE-2679473181,PC-id_51075934	325.451	WIWZZBCIONMGRP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-055955
c1ccc(nc1)C(C1CCC1)NCCc1nnc2n1CCCCC2	EMOLS-id_320193744,MCULE-5447787429	325.451	WYRQTPPTJTYZJG-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-055956
C1CCN(CC1)c1ccccc1NCc1nnc2n1CCCCC2	MCULE-5193867739,EMOLS-id_318033807	325.451	FXDVSFSJFQWNSH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055957
C1CCN(CC1)Cc1cnc2n1CCN(CC2)Cc1ccncc1	PC-id_97467031	325.451	IHTCXMWJWGQONH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-055958
c1cncc(CN2CCc3ncc(CN4CCCCC4)n3CC2)c1	PC-id_97467030,EMOLS-id_44328705,ZINC22_96196886	325.451	QKRCYAKCOHYMBD-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-055959
CC1(CCC(CC1)NC1CCn2c(CC1)nnn2)c1ccccc1	MCULE-4406719548,EMOLS-id_102028202	325.451	HNKBXIWXHJEJFV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055960
CC1CC(NC2CCn3c(CC2)nnn3)CC(C1)c1ccccc1	MCULE-4240404584,EMOLS-id_102028208	325.451	RXQQQPLXTNRBET-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055961
C(C1CN(Cc2ccccn2)Cc2ccnn2C1)N1CCCCC1	EMOLS-id_50374815	325.451	BKEMJXSYMFQFSZ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-055962
CN1CC[C@H]([C@@H]1c1ccccc1)NCc1nnc2n1CCCCC2	MCULE-6050420054,EMOLS-id_318709973	325.451	JVAUCONZOFBEIB-APWZRJJASA-N	00000010100000110101100000000010000000000000000000000000	31-01-055963
CN(Cc1cnc2n1CCN(CC2)CC1CC1)Cc1cccnc1	PC-id_97415884	325.451	LQNCXBIBNIZZLL-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-055964
N1(CCN(CC1)c1ccccc1)CCc1n2CCCCCc2nn1	PC-id_2318726	325.451	ICAHWNSHPJLJKZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-055965
CC1CN(Cc2c(O1)c(C(C)C)c(s2)C)C(=O)OC(C)(C)C	PC-id_86668494,SCHEMBL9903502	325.466	CONFIXLHKAOZFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055966
COCCOCCCNC(=O)c1cc2c(s1)CCCCCC2	ZINC22_57998943,MCULE-7224248726,EMOLS-id_36623048,PC-id_52487213	325.466	RRQNKEBUYFMWHU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055967
OCC(CN(C(=O)c1sc2c(c1)CCCCCC2)C)(CO)C	PC-id_109879425	325.466	JEHDZZHBACMOSE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055968
O=C(c1cc2c(s1)CCCCC2)N1CC[C@H](c2ccccc2)C1	ZINC22_499756415	325.468	KCOCPOVQMJNZDM-KRWDZBQOSA-N	00000010100000110100100000000010000000000000000000000000	31-01-055969
O=C(c1cc2c(s1)CCCCC2)N1CC[C@@H](c2ccccc2)C1	ZINC22_499756416	325.468	KCOCPOVQMJNZDM-QGZVFWFLSA-N	00000010100000110100100000000010000000000000000000000000	31-01-055970
s1c2c(CCCCC2)cc1C(=O)N(C1CCc2c1cccc2)C	PC-id_18283721	325.468	CODAMWPRXRBHHZ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-055971
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)C1CC(C)CC(C1)C	MCULE-2100448612,EMOLS-id_320269520	325.469	KDRWIYILOJJQHY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055972
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CC1(C)CCCCC1	EMOLS-id_319311907	325.469	AIQBCCCTWXEBKG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055973
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CCC1CCCCC1	EMOLS-id_319862999,MCULE-4636583532	325.469	FZKMGRLCHSAWSH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055974
CC1CC(C1)(C)CS(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319490638	325.469	MVAABWLBCOOIPM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-055975
CC1CCC(C1)CS(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319350156	325.469	LKROHLDYCWOXRP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055976
CC1(CCCCC1)CS(=O)(=O)Cc1nnc2n1CCCCC2	EMOLS-id_101407210,MCULE-2547822387	325.469	MQYGURMPEZAWJA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055977
CC1CCCC(C1)CS(=O)(=O)N1CCCc2c(C1)cnn2C	MCULE-1856285647,EMOLS-id_320280467	325.469	HXKSESNDYTWQDP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055978
CCCCOCCCNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825188	325.469	XURDKAALKFMJHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055979
CC(COCCCNC(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112825143	325.469	GIDICMXOSOCUKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055980
Cn1ncc2c1CCCN(C2)S(=O)(=O)CC1(C)CCCCC1	EMOLS-id_101950794	325.469	YYSUGGZZLHRCLM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055981
Cn1ncc2c1CCCN(C2)S(=O)(=O)CCC1CCCCC1	EMOLS-id_101951010	325.469	KGKRROBUAMBKEH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055982
COCCN(C(=O)Nc1nc2c(s1)CCCCC2)CC(C)C	PC-id_112825069	325.469	YGSPQMBXBBVRHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055983
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c12CN(CCCSC)CCCn1nc(CNC(=O)N(C)C)c2	MCULE-1303405197,PC-id_70730795,ZINC22_82107009,EMOLS-id_44432677	325.473	IMMLGNILZQJFAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055985
S=c1n2CCCCCc2nn1CN(CC(=O)NC(C)(C)C)C	PC-id_9280945	325.473	LQKGWPZUWFRZBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055986
COCC[N@@H+](CCCNC(=O)c1cc2c(s1)CCCCC2)C	GD-id_ZINC41966668	325.489	SDJKCKVZNXKONE-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-055987
O=C(c1cc2c(s1)CCCCC2)NCC1(O)CCSCC1	PC-id_111484888	325.489	JJOQFCSOLRFIKT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-055988
O=C(c1sc2c(c1)CCCCCC2)NCC1(O)CCSC1	PC-id_111597020	325.489	CPWRTYWULGQULW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-055989
CNC1C(=O)N(CCc2c1scn2)CC1CCCCCS1	PC-id_23554677,SCHEMBL14171150	325.493	IIVXJEKLCWCJPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055990
O=C(Nc1nc2c(s1)CCCCC2)NCC1CCCSC1	EMOLS-id_98919672	325.493	AVLTWYOWLVEQOK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055991
O=C(Nc1sc2c(n1)CCCCCC2)CC1NCCSC1	EMOLS-id_301927912,MCULE-7975040081,PC-id_119937540	325.493	KNKXGMONLPBYKW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055992
O=C(Nc1sc2c(n1)CCCCCC2)NC1CCSCC1	EMOLS-id_101103908	325.493	VCCZEDSWORYFFF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-055993
O=C(Nc1sc2c(n1)CCCCCC2)NCC1CCSC1	EMOLS-id_101098568	325.493	BRWRTGUTSZRUNC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-055994
s1c2CCCCCc2cc1C(=O)NNC(=S)NC(C)(C)C	PC-id_9425619	325.493	RSQYOFFMVRRSQC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-055995
S1CC(CN2CCc3ncsc3C(NC)C2=O)CCCC1	PC-id_23516870	325.493	SZGVQBWZXLUNKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055996
N#Cc1ccccc2-c1ccc2O[Si](C(C)C)(C(C)C)C(C)C	PC-id_101568645	325.52	JINPXEODGMKFRD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-055997
S(CC1(CCCCCC1)CS)c1n2CCCCCc2nn1	PC-id_80036437	325.536	SVMDCTAKPLSHKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-055998
Fc1cc(Cl)c(c(c1)C(=O)NC1CCn2c(CC1)nnn2)O	EMOLS-id_102179699	325.726	OPAZASRGGHOJMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-055999
O=C(c1cc(F)c(c(c1)Cl)O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179639	325.726	CFMDMXUREJWPCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056000
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1F)F)Cl	EMOLS-id_318939295	325.741	BUHKCLGABFMOQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056001
Clc1nc(cc(c1)[N+](=O)[O-])Sc1nnc2n1CCCCC2	PC-id_108348644	325.774	IWYZSYJFCMGBKG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056002
Clc1nc(Sc2n3CCCCCc3nn2)c([N+](=O)[O-])cc1	PC-id_43260501	325.774	MEHNZEWSJMMDJM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056003
Cc1nc2c(s1)N(CCCC2)C(=O)c1nccc(c1F)Cl	EMOLS-id_319352376	325.789	OWQJIWNMYKDKPN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056004
Cc1cccc(c1Cl)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99301732	325.81	GJZKKEYICSPIJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056005
Cc1ccc(c(c1)Cl)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99308921	325.81	WDIZHGCWFANKDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056006
Cc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cco2)Cl	EMOLS-id_99299332	325.81	YHWYEWIPYXTXNG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056007
Cc1cccc(Cl)c1S(=O)(=O)N1CCCc2occc2C1	ZINC22_333188053,MCULE-4964036790,EMOLS-id_101800012	325.81	RKEPGSPCBAEUES-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056008
c1(NC(=O)CCc2onc(Cl)c2)sc2c(CCCCC2)n1	MCULE-1410742825,EMOLS-id_323416954	325.814	HLJCDHFVSZOOKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056009
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cccc(c1)Cl	EMOLS-id_318803817	325.814	KIDPRSOAXDWQRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056010
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(cc1)Cl	EMOLS-id_319495546	325.814	QYLFIKPNGCUOPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056011
Cc1sc2c(n1)CCCCN2C(=O)Cc1c(C)noc1Cl	MCULE-9571425046,EMOLS-id_319993125	325.814	NJBDUZZFHXZELF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056012
Clc1cccc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945910	325.814	ZNQYOPRHTSLHHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056013
Clc1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945961	325.814	UZPRJMSFLXSUDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056014
Clc1ccccc1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946021	325.814	LSEKBEUJOVFQMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056015
Clc1cc(CS(=O)(=O)N2CCCn3c(C2)cnc3)ccc1	PC-id_56887719	325.814	ZHYQQOXJUWVAER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056016
ClS(=O)(=O)c1ccc(cc1)Cc1nnc2n1CCCCC2	PC-id_116416930	325.814	IOESAPFCLIHDRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056017
Clc1ccc(s1)C(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102182520	325.817	XPJZYXWJYCCICB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-056018
COCc1nc(cc(n1)Cl)Sc1nnc2n1CCCCC2	PC-id_104337044	325.817	RFDCFSWQMAIGJE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056019
O=C(N1CCCn2c(C1)cc(n2)N)Nc1c(Cl)scc1C	EMOLS-id_320272903,MCULE-1508730328	325.817	OTUOCFWJUXCTJS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-056020
Clc1nc(Sc2n3CCCCCc3nn2)nc(N(C)C)n1	PC-id_62867042	325.82	SKFZLGOAYGGPJO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056021
Clc1nc(Sc2n3CCCCCc3nn2)nc(NCC)n1	PC-id_80869094	325.82	ZKQUNCAIRIADBO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056022
CCCCN1CCC(=NO)c2c(C1=O)n(CCCCCl)cc2	PC-id_85249623,SCHEMBL9037511	325.834	UCTFDLBGQNKZGV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056023
Clc1sc(C(=O)CN2c3c(scc3)CCCC2=O)cc1	PC-id_63748288	325.834	RFJAHAMZZWKLLG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-056024
ClCCCCn1c2c(/C(=N/O)/CCN(CCCC)C2=O)cc1	PC-id_10734874	325.834	UCTFDLBGQNKZGV-NBVRZTHBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056025
CC(C1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_106838864	325.897	PFDPJUZMFPSGEI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-056026
ClC1CCCC(C1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_106132312	325.897	AYXSUCOJOIJYCY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-056027
ClC1CCC(CC1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_106133862	325.897	HJZJSCDPKQUJFQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-056028
ClC1CCCCC1CNC(=O)c1cc2c(s1)CCCCC2	PC-id_114301453	325.897	RVENPKDDELCPKO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-056029
ClC1CCCCC1N(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_102638048	325.897	XAEJTHBFNBUXSI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-056030
ClC1CCCCCC1NC(=O)c1cc2c(s1)CCCCC2	PC-id_104283760	325.897	DUTVUDQDCDBLIS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056031
ClCC1CCCC1CNC(=O)c1cc2c(s1)CCCCC2	PC-id_114306702	325.897	MBWFDUCFORXVOB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-056032
ClCC1CCCCC1NC(=O)c1cc2c(s1)CCCCC2	PC-id_106366945	325.897	GSUIQUVOBOSAOX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-056033
ClCC1(CCCCC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_114303367	325.897	SARHAFYHLDDFBT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-056034
ClCC1CCCCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_116639204	325.897	DDBYCNQSPDKPIK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056035
ClCCC1CCCN(C1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63395920	325.897	NSBIJPFAVVCZEN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-056036
ClCCC1N(CCCC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63393629	325.897	IDVQYGDTACJLFU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-056037
ClCCCC1N(CCC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63395807	325.897	HCSKXRLXPPIIOI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-056038
ClCCCN(C(=O)c1cc2c(s1)CCCCC2)C1CCC1	PC-id_102872001	325.897	IZKBWBBGUIFNRA-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-056039
ClCCN(C1CCCC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63391825	325.897	GBDOVWSCDSAAPO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-056040
Clc1c(scc1)C(NCC)c1sc2c(CCCCC2)c1	PC-id_80528865	325.92	WNPRZSSUXBIOEX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-056041
Clc1sc(C(NCC)c2sc3c(CCCCC3)c2)cc1	PC-id_43491983	325.92	CHPMTFQKKWUWCF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-056042
CNC(c1cc2c(s1)CCCCC2)Cc1ccc(s1)Cl	PC-id_115841712	325.92	YDOJTCQQYXDBQS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-056043
CNC(c1cc(c(s1)Cl)C)c1cc2c(s1)CCCCC2	PC-id_102763595	325.92	OPAQCAGRDOWWGA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-056044
C1=CN(C2=C1C=CI=C=C2)CC(CC#N)O	PC-id_146737834	325.992	RJTVUIGSKAOHRH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-056045
Br[PH+]([PH2-])CCC1n2c(noc2=O)CCCC1	PC-id_72644819	326.087	LRVXPIFPAQHEMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056046
Br[PH+]([PH2-])CC[C@@H]1n2c(noc2=O)CCCC1	PC-id_60087916	326.087	LRVXPIFPAQHEMF-SSDOTTSWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056047
COC1=C(C=C2C(=CC1)C=C(S2)C(CCCC(=O)O)F)OC	PC-id_164708078	326.099	XDEJRBINNAZPKK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-056048
CN1C2=C(CN(CCC2)C(=O)NC3=CC4=C(C(=O)NC4)N=C3)C=N1	EMOLS-id_317742809,MCULE-6405203034,PC-id_154788602	326.149	UCYXSXDIAKSMPR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056049
I/C=Cc1c(C=N)sc2c1C=CN=C=C2	SCHEMBL19309705	326.156	YQFQBIOTFHOJEB-HDFQWQTNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-056050
CC1CN(CCC2=CN(N=C12)C)C(C)C3=CC4=C(C=C3)SC=N4	PC-id_154685739	326.157	SMIVTPRDKFWCLU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056051
CC1CN(CCC2=NN(C=C12)C)C(C)C3=CC4=C(C=C3)SC=N4	PC-id_154685712	326.157	DBAQSTGGFRTEHD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056052
C1CCC2=NN=C(N2CC1)COC3=CC=C(C=C3)[C@@H]4CCC(=O)N4	PC-id_164633394,ZINC22_902786960	326.174	NPFVCCJHXINUOZ-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-056053
Cc1ccc(cc1)S(=O)(=O)c1c(cc2-c1ccccc2)B(O)O	PC-id_102183675	326.175	BZEUCVKRTLQDQC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-056054
Clc1cc(Cl)c(c(c1)C(=O)N1CCCc2c(C1)c[nH]n2)O	EMOLS-id_319910324,MCULE-6570327703	326.178	HVUDOBCMVGGGRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056055
Clc1ccc(c(c1)Cl)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102171524	326.181	AUYZPGKNTMNXRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056056
Clc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_102170051	326.181	IYEJSEXGRMZXED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056057
Clc1cc(Cl)cc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102170054	326.181	RBZWHQRKLMCWNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056058
Clc1cc(NC(=O)N2CCCn3cncc3C2)cc(Cl)n1	EMOLS-id_43086329,ZINC22_72137350,PC-id_56889213,MCULE-9890487212	326.181	DAODIRCPWFHBFD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056059
O=C(c1cccc(c1Cl)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102170048	326.181	ZMLYWVZHDQDTEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056060
O=C(c1ccc(c(c1)Cl)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102171530	326.181	AMHUTUWQYRXXFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056061
O=C(c1c(Cl)cccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102158254	326.181	BJVLWIVRZHTYGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056062
Brc1cncnc1Sc1nnc2n1CCCCC2	ZINC22_90783212,EMOLS-id_110156750,PC-id_66320068,MCULE-9001505577	326.215	HYUYLEUYBFWSRP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056063
Brc1cnc(Sc2nnc3n2CCCCC3)nc1	EMOLS-id_48231414,ZINC22_67120351,MCULE-4093309977,PC-id_60279374	326.215	FAHXVSORTIRTMW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056064
Brc1ncnc(c1)Sc1nnc2n1CCCCC2	EMOLS-id_315974212,PC-id_113525884	326.215	GPAGRMNEYVBWPB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056065
Clc1cc(OC2CCN(Cc3oc(cc23)C)C)ccc1Cl	PC-id_68411140	326.218	QWDMYGYMFWVURO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056066
Clc1cc(OC2CN(CCc3oc(cc23)C)C)ccc1Cl	SCHEMBL2840872,PC-id_68411746	326.218	KFDUOPJEHLJLFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056067
Clc1c(OC2CCN(Cc3oc(cc23)C)C)cccc1Cl	PC-id_25027798,SCHEMBL2841045	326.218	JNQZKJHUNKGHMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056068
Clc1cnc(c(c1)Cl)CNCc1nnc2n1CCCCC2	EMOLS-id_318762638,MCULE-2562489596	326.224	MYEMZAVZLJBZLV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056069
Clc1cncc(c1CNCc1nnc2n1CCCCC2)Cl	EMOLS-id_318770438,MCULE-4702441204	326.224	FVFBTBFNICVUCK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056070
C[C@H](C1=NN=C2N1CCCCC2)NCC3=CC=CC=C3CC(C)C	EMOLS-id_317375235,PC-id_154770262,MCULE-1238109543	326.247	RIUJYXLYOONMAM-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056071
Brc1ccoc1C(c1cc2c(s1)CCCCC2)N	PC-id_113668149	326.252	CAHAJPJSNZUFHZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-056072
Brc1cc(sc1)Cn1cc2C(O)CCCCc2c1	PC-id_83208971	326.252	SWNXWWVGSOXATM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-056073
Brc1c(scc1)Cn1cc2C(O)CCCCc2c1	PC-id_83208713	326.252	VLFDCIJPNPSCRD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-056074
Brc1oc(C(N)c2sc3c(CCCCC3)c2)cc1	PC-id_80217347	326.252	UIEUMSFQGPKPJK-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-056075
Brc1sc(Cn2cc3C(O)CCCCc3c2)cc1	PC-id_83209072	326.252	QTYGRWMLHWFJAR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-056076
O=C(Nc1ccc(c(c1F)F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102025486	326.277	OVDOVGXRTDMXHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056077
O=C(Nc1cc(F)c(cc1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102020356	326.277	TXJYKNONXQYKIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056078
O=C(Nc1cc(F)cc(c1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102020572	326.277	UFKQHOKWIIYMPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056079
O=C(Nc1c(F)cc(cc1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102027652	326.277	LHPZMMUHJMKLMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056080
Fc1ccc(c(c1)CC(=O)c1c(=O)[nH]c2-c1ccccc2)[N+](=O)[O-]	PC-id_59563875,SCHEMBL3802673	326.279	HJAMTVUEBJMVNV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-056081
Clc1cccc(c1Cl)C(c1cc2c(s1)CCCCC2)N	PC-id_115851440	326.284	BYERJQXLFJLHNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056082
Clc1cc(C(N)c2sc3c(CCCCC3)c2)ccc1Cl	PC-id_43464781	326.284	SDRJAAOBNVIIAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056083
Clc1c(C(N)c2sc3c(CCCCC3)c2)ccc(Cl)c1	PC-id_63504002	326.284	SFDUEHMILQXAQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056084
Clc1c(C(N)c2sc3c(CCCCC3)c2)cc(Cl)cc1	PC-id_43464793	326.284	UAUFWFDIRJHOEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056085
ClC(c1cc2c(s1)CCCCC2)Cc1ccncc1Cl	PC-id_115985119	326.284	UBXHZQFKRZSLEN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-056086
COC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(F)(F)F	PC-id_140762638	326.292	KITVICHXFOAMSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056087
O=C(c1noc2c1CCCCC2)NS(=O)(=O)CC(F)(F)F	EMOLS-id_112072720	326.292	LVAICEYXWNBRSN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056088
OCC(n1nnc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)(F)F	MCULE-6272512590,EMOLS-id_319874028	326.302	KQBUJQZGNSZJFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056089
O=C(N1CCCc2c(C1)cnn2C)NCc1onc(n1)C(F)F	EMOLS-id_319854601	326.302	NSTXMAFDYZGRBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056090
O=C(ON1C(=O)c2ccccc2C1=O)c1noc2CCCCCc12	EMOLS-id_316739205,MCULE-5855593331	326.303	VBAMWRDFJGNAFW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056091
O=C(ON1C(=O)c2ccccc2C1=O)C1CCc2nncn2CC1	EMOLS-id_316784798,MCULE-6479325762	326.307	NXTPAVVWHLKPDF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056092
O=C(c1cnoc1)N1Cc2ccnn2C[C@H](Oc2ncccn2)C1	ZINC22_306129479	326.31	IEKPIHWSSXKCDA-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056093
O=C(c1cnoc1)N1Cc2ccnn2C[C@@H](Oc2ncccn2)C1	ZINC22_306129480	326.31	IEKPIHWSSXKCDA-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056094
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(cc1C(F)(F)F)C	EMOLS-id_319979503,MCULE-8910099329	326.317	WFDDJOQZWMBPNE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-056095
FC(c1cccc(c1)CNCc1nnc2n1CCOCC2)(F)F	EMOLS-id_318567286,MCULE-3759255142	326.317	MNBSONQUBQZOKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056096
FC(c1ccccc1CNCc1nnc2n1CCOCC2)(F)F	MCULE-2632877922,EMOLS-id_318565919	326.317	LCTOTLLFTUDGFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056097
FC(c1ccc(cc1)CNCc1nnc2n1CCOCC2)(F)F	MCULE-5773665620,EMOLS-id_318392043	326.317	CGWJGHCXJIJTGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056098
FC(Oc1ccccc1NCc1nnc2n1CCCCC2)(F)F	MCULE-2479459890,EMOLS-id_318322761	326.317	WSNQFZGLZJXDNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056099
FC(Oc1cccc(c1)NCc1nnc2n1CCCCC2)(F)F	MCULE-7477883610,EMOLS-id_318308654	326.317	PNNLGPFPVHTPBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056100
Cc1cc(NCc2nnc3n2CCCCC3)nc(n1)C(F)(F)F	EMOLS-id_318526417,MCULE-5501904913	326.32	AUYWIGONJDMPGA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056101
Cc1nc(NCc2nnc3n2CCCCC3)cc(n1)C(F)(F)F	EMOLS-id_318274526,MCULE-3145954602	326.32	OQQNDGRYDWQESS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056102
Cc1nc(NCc2nnc3n2CCCCC3)nc(c1)C(F)(F)F	EMOLS-id_317976830,MCULE-8019517010	326.32	WABMAAZCNPPDTA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056103
Cc1nnc(c(c1)C(F)(F)F)NCc1nnc2n1CCCCC2	MCULE-6452035692,EMOLS-id_318694338	326.32	TYKWQFFXNSDLKP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056104
CN(Cc1nnc2n1CCCCC2)c1nccc(C(F)(F)F)n1	EMOLS-id_31951083,MCULE-1330462395,ZINC22_44936462,PC-id_45822021	326.32	HNOVGNMCGXIXDI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056105
FC(c1ccnc(n1)NCCc1nnc2n1CCCCC2)(F)F	CoCoCo_4755597	326.32	XKSBPCUSOYRRQK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056106
S(c1c2-c(cc1)ccccc2)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1	PC-id_71674193	326.327	OQUGPOCBYRXMSI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-056107
Fc1cccc(c1)n1ncc(c1)C(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320225151,MCULE-4407826552	326.328	UCUXHKXRKIFRQB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-056108
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(c(c1F)F)F	EMOLS-id_320022492,MCULE-8841005721	326.337	NVINFCYHFXGPTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056109
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc(F)c(c(c1)F)F	EMOLS-id_319140367	326.337	JJLCPIKMCZMGEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056110
Fc1ccc(C(=O)Nc2nc3CCCCCc3s2)c(F)c1F	EMOLS-id_334605692,MCULE-3095975996	326.337	FMABBFJYWHJLLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056111
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC#N	PC-id_102370815	326.347	ASQMDQRXEOBSLM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056112
CCOC(=O)c1c2-c(n(c1=O)C(=O)CCC(C#N)C)ccccc2	PC-id_102442115	326.347	DEAPTHAJDSQTRX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056113
Cn1nc2CCN(CCn2c1=O)S(=O)(=O)c1ccccc1F	MCULE-8426981354,EMOLS-id_239629099	326.347	JXOUAICLQZXENJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056114
COc1ccc(cc1F)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319869549	326.347	YUXMUTAUBNDNSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056115
COc1ccc(cc1S(=O)(=O)N1CCCn2c(C1)cnn2)F	EMOLS-id_319782774	326.347	CDDBPTKKUKGETI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056116
O=C(c1coc2c1C(=O)NCCC2)N[C@@H]1CO[C@H]1c1ccccc1	EMOLS-id_319836282,MCULE-8554539983	326.347	VSPGTQDRPPOJHW-CJNGLKHVSA-N	00001000100000110100100000000010000000000000000000000000	31-01-056117
O=C(c1noc2c1CCCCC2)N1CC(c2c1cccc2)C(=O)O	EMOLS-id_57901468,PC-id_120691700,MCULE-3912355178	326.347	KVPIQINMOGAVQY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056118
c12CN(CCCn1nc(C#N)c2)C(C(=O)O)c1cccc(OC)c1	MCULE-8536202272,EMOLS-id_316234069	326.35	GZJLJEFPKZJXBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056119
c12CN(CCCn1nc(CO)c2)C(=O)c1ccc2c(c1)oc(n2)C	EMOLS-id_55703000,PC-id_91794794,MCULE-6839971627	326.35	PKRFCNSIFMTNBV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056120
c12CN(CCCn1nc(CO)c2)C(=O)Cc1c2ccccc2on1	PC-id_91762203,MCULE-9651256087,EMOLS-id_55609022	326.35	ALMABNGBGDWVNI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056121
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc2c1oc(=O)n2C	EMOLS-id_319588902	326.35	YQTBPYGEDCCHOM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056122
COc1ccc2c(NC(=O)c3noc4c3CCCCC4)n[nH]c2c1	PC-id_136537168,ZINC22_278346919,EMOLS-id_316888668,MCULE-6233196424	326.35	MIPRYFVQXANZFZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056123
COc1cccc2c1[nH]c(n2)NC(=O)c1noc2c1CCCCC2	EMOLS-id_319709510	326.35	FANXHJKQMVVWSA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056124
COc1cccc([C@@H](C(=O)O)N2CCCn3nc(C#N)cc3C2)c1	ZINC22_1506421206	326.35	GZJLJEFPKZJXBB-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056125
COc1cccc([C@H](C(=O)O)N2CCCn3nc(C#N)cc3C2)c1	ZINC22_1506421208	326.35	GZJLJEFPKZJXBB-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056126
COC(=O)C1CCc2n(CC1)c(nn2)COc1ccc(cc1)C#N	MCULE-3653030917,EMOLS-id_316955457,PC-id_136557182	326.35	PIZJKAJVYAYKKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056127
COC(=O)[C@@H]1CCc2nnc(COc3ccc(C#N)cc3)n2CC1	ZINC22_601044374	326.35	PIZJKAJVYAYKKR-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056128
COC(=O)[C@H]1CCc2nnc(COc3ccc(C#N)cc3)n2CC1	ZINC22_601044379	326.35	PIZJKAJVYAYKKR-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056129
N#C/C(=Cc1cc(c(o1)C)C(=O)OC)/c1nnc2n1CCCCC2	CoCoCo_4367083,PC-id_17399952	326.35	HXBCVBIKQARYNF-XYOKQWHBSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056130
N#C/C(=C/c1cc(c(o1)C)C(=O)OC)/c1nnc2n1CCCCC2	CoCoCo_4367084,PC-id_73673784	326.35	HXBCVBIKQARYNF-WQLSENKSSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056131
N#CC(=Cc1cc(c(o1)C)C(=O)OC)c1nnc2n1CCCCC2	MCULE-3043037127,PC-id_72062037,EMOLS-id_26222003	326.35	HXBCVBIKQARYNF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056132
O=C1c2ncn(Cc3cc(CC(=O)OCC)ccc3)c2NC=NC1	PC-id_10496355	326.35	JYTQWVSQMTVMRU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-056133
O=C1c2ncn(CCCc3c(cccc3)C(=O)OC)c2NC=NC1	PC-id_10592219	326.35	VMYDYTUGAYKHFD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-056134
O=C1c2ncn(CCCc3cc(ccc3)C(=O)OC)c2NC=NC1	PC-id_10806041	326.35	RBKYMYSLEBZYKW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-056135
Oc1ccc2c(c1)occ2C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_316604128	326.35	XANNRCHFDMVHJT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056136
OC(c1c2-c(nc(n2)NC)ccn(c1=O)C)c1ccc(OC)cc1	PC-id_25215801	326.35	QUVAJSLAFDVRFJ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-056137
O=C(c1cn(C)c2c(c1=O)cnn2C)N1CCCc2c(C1)cco2	EMOLS-id_100663793	326.35	JCPRFYAWEPPVOV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056138
O=C(c1coc2c1C(=O)NCCC2)N1CCC(C1)c1ncccn1	MCULE-4947364371,EMOLS-id_319830681	326.35	PRYYCUALHJMQOC-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-056139
c12C(CCCCn1nnn2)C(=O)NCc1oc2c(c(C)ccc2)n1	PC-id_118785027,EMOLS-id_68920281,MCULE-7603194662	326.353	QVSFVFCQMDWIFF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056140
c1cnc(OCc2nnc3n2CCN(Cc2ccoc2)CC3)nc1	PC-id_97405405,EMOLS-id_46182165,ZINC22_96084580	326.353	ZFSIJBQBYFLIGT-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-056141
c1(C(=O)NCc2ccc3c(c2)[nH]c(=O)[nH]3)nnc2CCCCCn12	EMOLS-id_232887488,MCULE-7891136115,ZINC22_828400426	326.353	JCOBCDSHHAMUOX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056142
c1ncc(cn1)OCc1nnc2n1CCN(CC2)Cc1ccco1	CHEMBL3552131,PC-id_97405428	326.353	PTDPDPIQYVTZHH-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-056143
Cc1cccc2oc(CNC(=O)[C@@H]3CCCCn4nnnc34)nc12	ZINC22_299781159	326.353	QVSFVFCQMDWIFF-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056144
Cc1cccc2oc(CNC(=O)[C@H]3CCCCn4nnnc34)nc12	ZINC22_299781183	326.353	QVSFVFCQMDWIFF-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-056145
Cc1ccc(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)o1	ZINC22_96067090,PC-id_97389413	326.353	MPQIXFALECIBTD-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056146
Cc1ccc(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)o1	ZINC22_96067091,PC-id_97389414	326.353	MPQIXFALECIBTD-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056147
Cc1ccc(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)o1	ZINC22_2055713319,EMOLS-id_313725146	326.353	AJMAOYUIOMYESP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056148
Cc1ccc(o1)C(=O)N1CCc2n(CC1)c(cn2)Cn1cncn1	PC-id_97467145	326.353	JBVZGUJHUJIHHO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056149
Cc1ccc(o1)C(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_46160717	326.353	MPQIXFALECIBTD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056150
Cc1cc(C(=O)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)no1	PC-id_97389385,ZINC22_96067061	326.353	QADZZPOTPMNDKJ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056151
Cc1cc(C(=O)N2Cc3nccn3C[C@H](Cn3cccn3)C2)no1	ZINC22_96067060,PC-id_97389384	326.353	QADZZPOTPMNDKJ-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056152
Cc1cc(C(=O)N2CCc3ncc(Cn4cccn4)n3CC2)no1	ZINC22_96067913,PC-id_97390219,EMOLS-id_46161865	326.353	FXXLYCXEEUPAKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056153
Cc1cc(no1)C(=O)N1CC(Cn2cccn2)Cn2ccnc2C1	EMOLS-id_46160685	326.353	QADZZPOTPMNDKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056154
Cc1ccoc1C(=O)N1Cc2nccn2C[C@H](Cn2cncn2)C1	PC-id_97463064,ZINC22_96188630	326.353	PXLJZGGRXWZEOS-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056155
Cc1ccoc1C(=O)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	PC-id_97463065,ZINC22_96188631	326.353	PXLJZGGRXWZEOS-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056156
Cc1ccoc1C(=O)N1CCc2n(CC1)c(cn2)Cn1cncn1	PC-id_97467142	326.353	FEMOWEOUWRJKKV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056157
Cc1ccoc1C(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_44326473	326.353	PXLJZGGRXWZEOS-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056158
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(o1)Cn1nncc1	EMOLS-id_320038537,MCULE-9348885489	326.353	YLDGAWCMYNZGKO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056159
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn2c1nc(C)cc2O	EMOLS-id_320203909,MCULE-4969736763	326.353	UMOKOPBSPOQQSK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056160
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1noc(c1)c1ccn(n1)C	MCULE-9362033777,EMOLS-id_319834773	326.353	LUNLMIOCKVERBL-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-056161
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1onc(c1)c1cnn(c1)C	MCULE-1175531419,EMOLS-id_319927115	326.353	IBRHLAVDZXICRR-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-056162
Cc1occc1C(=O)N1CCc2ncc(Cn3cncn3)n2CC1	PC-id_97467139,EMOLS-id_44328925,ZINC22_96196995	326.353	PPPNDFXLOBMZKM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056163
CC(C(=O)N1CCCc2c(C1)cco2)n1cnc2c1ncnc2N	EMOLS-id_316905459,MCULE-3715585884,PC-id_136553869	326.353	NQVQKLAANIWLJU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056164
Cn1ccc(n1)n1nnc(c1C)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_98649489	326.353	XDLJVTVVCLAVRT-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-056165
Cn1ncc(c1)c1noc(c1)C(=O)N1CCCc2c(C1)cnn2C	MCULE-3864008140,EMOLS-id_320137258	326.353	ZVBNKOOQOAQOPW-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-056166
Cn1ncc(c1)n1nnc(c1C)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_101307915	326.353	QGEJPFZRIGHENN-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-056167
COc1ccc2ncc(C(=O)N3CCCc4c(cnn4C)C3)n2n1	ZINC22_663164234,EMOLS-id_316875243,MCULE-1488946253	326.353	GSTSFKMSJRWZPU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056168
N#CC(c1nnc2n1CCCCC2)C(=O)c1cc2n(n1)CCCO2	EMOLS-id_100821473	326.353	MMOYBGXPELLHRN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-056169
O=c1nc2-c(n1Cc1nnnn1CC1CCOCC1)ccccc2	EMOLS-id_319610766	326.353	JBJPNHLNACLDSW-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-056170
O=C(C1CCCCc2n1c(=O)[nH]n2)NCc1nc2c([nH]1)cccc2	EMOLS-id_239609025,PC-id_145869423	326.353	OJOAHBBMWSMJNC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056171
O=C(c1ccn2c(c1)n[nH]c2=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319953437,MCULE-5345996528	326.353	AYGRQUJVQDVXCY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056172
O=C(c1n[nH]c(c1)c1ccco1)NCc1nnc2n1CCCCC2	PC-id_86923202	326.353	VXEJOKXJMGEOFG-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-056173
O=C(CC1NC(=O)c2c1cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_319039069	326.353	ZXNYMXHAYHWLIQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056174
O=C(Nc1ccc2c(c1)c(C)co2)NC1CCn2c(CC1)nnn2	EMOLS-id_102024055	326.353	DXUVXGRLAUOPGS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056175
O=C(NCc1cc2nonc2cc1)c1nn2CCCN(Cc2c1)C	PC-id_50981634	326.353	DYVMEIILJMSELH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056176
O=C(N[C@@H]1CNCc2nccn2C1)c1coc(Cn2cccn2)c1	ZINC22_2325795329	326.353	ACQJFHWZTQMATM-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056177
O=C(N[C@H]1CNCc2nccn2C1)c1coc(Cn2cccn2)c1	ZINC22_2325795330	326.353	ACQJFHWZTQMATM-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056178
c12CN(CCCn1nc(CNc1ncnc3[nH]cnc13)c2)C(=O)C	ZINC22_82109659,PC-id_70740937,EMOLS-id_44436241,MCULE-7429235032	326.356	PKMOVXXZXZUGHK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056179
c12nncn1cccc2NC(=O)NCc1nnc2CCCCCn12	PC-id_72855116,ZINC22_96136366,EMOLS-id_49148081,MCULE-5995462353	326.356	MMPVEDIQTGYQOO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056180
Cc1ccn2c(C(=O)NCc3nnc4n3CCCCC4)nnc2n1	PC-id_90648970,EMOLS-id_50531797,MCULE-2788855583,ZINC22_219362933	326.356	LOVAWLRROIQEJN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056181
Cc1cnnn1Cc1nnn2c1CN(C(=O)c1cc[nH]c1)CCC2	EMOLS-id_313730778,ZINC22_1565554874	326.356	IJRFQLIXUYYYIU-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-056182
Cc1nc2[nH]nc(c2c(c1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102162643	326.356	ZNEFPTRASYJGNG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056183
CN(C(=O)c1cccn2c1nnn2)Cc1nnc2n1CCCCC2	EMOLS-id_316530857	326.356	RKLMGYPXKUJHOJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056184
O=C(c1cnc2c(c1)nn[nH]2)NCCc1nnc2n1CCCCC2	EMOLS-id_98675337	326.356	QYYSFURCACFOGF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056185
O=C(Nc1ccc2n(c1)cc(n2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102018169	326.356	LNXUTJUOVPMPNY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056186
O=C(Nc1ccc(c2c1[nH]nc2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102022561	326.356	HVHGVGFGMDNLCN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056187
O=C(Nc1cc(C)c2n(c1)ccn2)NC1CCn2c(CC1)nnn2	EMOLS-id_102020677	326.356	HQZJYOIREZHRFT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056188
O[C@H](CN(c1ccc2-c(cc1)ccc2)O)CNC(=S)C(F)F	PC-id_143555041	326.362	WAAKWACUJOFYMQ-ZDUSSCGKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056189
c1(sc2c(CCCCCC2)n1)NC(=O)c1ccn(C(F)F)n1	EMOLS-id_316261677,MCULE-5751036613,ZINC22_678821697	326.365	BGZWCMDXOGVPOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056190
FC(Cn1ccc(n1)C(=O)N1CCCCc2c1sc(n2)C)F	EMOLS-id_320015246,MCULE-9274416216	326.365	GHRKZGRXZYZBHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056191
O=C(N1CCCCc2c1sc(n2)C)Cn1ccc(n1)C(F)F	EMOLS-id_319138551	326.365	WPSAYXVCWMCDKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056192
S(=O)(=O)(Oc1ccc2-c(ccc2C=O)cc1)c1ccc(cc1)C	PC-id_10853563	326.366	NCNNVJWPAZJVOH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-056193
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c([nH]1)cc(cc2C)F	EMOLS-id_319406759	326.368	AYFKLYDPZGZKJW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056194
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c([nH]1)ccc(c2C)F	EMOLS-id_319598267	326.368	NXFLNQIJSKHHCH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056195
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]c2c(c1)c(C)ccc2F	EMOLS-id_318853190	326.368	URDBEHJDPGAQPJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056196
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c[nH]c2c1ccc(c2)F	EMOLS-id_319430682	326.368	DHBQDDBZTOIBLQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056197
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ccc2c1ccc(c2)F	EMOLS-id_318862588	326.368	KJPSQQKNOMCDIF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056198
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ccc2c1cc(F)cc2	MCULE-4667188754,EMOLS-id_320223379	326.368	WHNGEBLVJZUIIM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056199
CC1CN(Cc2coc(n2)c2cccc(c2)F)Cc2c(C1)[nH]nc2	EMOLS-id_319678392	326.368	RVRKTHXLSWKWPX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-056200
Fc1c(CCC(=O)C(c2n3CCCCCc3nn2)C#N)cccc1	MCULE-3718214928,EMOLS-id_32132219,PC-id_51099358	326.368	BVFOESDJTVEKCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056201
N#C[C@H](C(=O)CCc1ccccc1F)c1nnc2n1CCCCC2	PC-id_94811752,ZINC22_58281049	326.368	BVFOESDJTVEKCL-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056202
N#C[C@@H](C(=O)CCc1ccccc1F)c1nnc2n1CCCCC2	PC-id_94811753,ZINC22_58281051	326.368	BVFOESDJTVEKCL-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056203
c1(C(=O)N)cn2c(CCN(CC2)C(=O)C2CCS(=O)(=O)C2)n1	EMOLS-id_331133230,MCULE-8608414207	326.371	KKCXLFOEULAKCS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056204
Cc1noc(C)c1S(=O)(=O)N1CCCn2nc(CO)cc2C1	EMOLS-id_55695875,MCULE-2501339369,PC-id_91792388	326.371	ZTLAEIQHUPXHES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056205
Cn1ncc2c1CCCN(Cc1ccc(n3cncn3)c(F)c1)C2	EMOLS-id_313158195,MCULE-2336975797,ZINC22_585140122	326.371	NYPZHVNNEOMMIN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-056206
NC(=O)c1cn2c(n1)CCN(C(=O)[C@@H]1CCS(=O)(=O)C1)CC2	ZINC22_1875245659	326.371	KKCXLFOEULAKCS-SECBINFHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056207
NC(=O)c1cn2c(n1)CCN(C(=O)[C@H]1CCS(=O)(=O)C1)CC2	ZINC22_1875245660	326.371	KKCXLFOEULAKCS-VIFPVBQESA-N	00000010100000000101000000000010000000000000000000000000	31-01-056208
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc2c(cc1)cc[nH]2	PC-id_90625473	326.373	NVWHGNIYBJLCCW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056209
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc2c(cc1)[nH]cc2	PC-id_90625472	326.373	OWNJCMURCPLZLV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056210
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc2ccccc2[nH]1	PC-id_90625263	326.373	NUGFUPBODWGDPT-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056211
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cn2ccccc2c1	PC-id_90625498	326.373	FRTKCVWERBNRMK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056212
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1c[nH]c2ccccc12	PC-id_90625437	326.373	GMEOLIBUKCVFMU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056213
CSc1nc(c(c(=O)[nH]1)C(=O)N)Nc1cc2-c(ccccc2)c1	PC-id_136488499,SCHEMBL10126689	326.373	WMXMTQOUCFTMLG-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-056214
CCn1cc(cn1)S(=O)(=O)N1CCc2nn(C)c(=O)n2CC1	EMOLS-id_239629389,MCULE-9688665742	326.375	XLRWSOFKWAQQRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056215
s1c2CCCCCc2c(c1NC(=O)Cn1c(nnc1)C#N)C#N	PC-id_51317356	326.376	MMYSCNZRSOXGJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056216
s1c2CCCCCc2c(c1NC(=O)Cn1nc(nc1)C#N)C#N	PC-id_25961465	326.376	GTSZTBNWDGTCSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056217
s1cc(nc1c1nccnc1)Cc1[nH]c2CCCNC(=O)c2n1	PC-id_50966112	326.376	DZITXJQIBAYTSW-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-056218
O=C(c1noc2c1CCCCC2)NCC1CCCCC(C1)(F)F	EMOLS-id_98732038	326.381	YIZKZFHJJRCSBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056219
O=C(NC[C@@H]1CCCCC(F)(F)C1)c1noc2c1CCCCC2	ZINC22_329203080	326.381	YIZKZFHJJRCSBK-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056220
O=C(NC[C@H]1CCCCC(F)(F)C1)c1noc2c1CCCCC2	ZINC22_329203081	326.381	YIZKZFHJJRCSBK-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056221
CCC(c1nnc2n1CCCCC2)NC(=O)C1CCC(C1)(F)F	EMOLS-id_111559406	326.385	KKRFQPCZOMLPFA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056222
FC(C(C1CCCCC1)NC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_316482208	326.385	KSFLOFBNLGWKLJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056223
FC(CN1CCCC(C1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)F	MCULE-5143244467,EMOLS-id_320124040	326.385	PTCZDSKZPKNVBM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056224
FC(CN1CCC(CC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)F	MCULE-5806678846,EMOLS-id_320000656	326.385	PDDIHRGHNCHLFS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056225
O=C(c1n[nH]c2c1CCCCC2)N1CCN(CC1)CC(F)(F)C	EMOLS-id_319800431	326.385	VAPMSWAITHYPRF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056226
O=C(N1CCCc2c(C1)cnn2C)NCC1CCCCC1(F)F	EMOLS-id_101684831	326.385	ACSZYRAEWICULZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056227
O=C(N1CCCc2c(C1)cnn2C)NCC1CCCC(C1)(F)F	EMOLS-id_101701883	326.385	DZZSZFKLEMMICW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056228
O=C(N1CCCc2c(C1)cnn2C)NCC1CCC(CC1)(F)F	EMOLS-id_101702027	326.385	TVTZCNYMRMHSCT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056229
CCOC(=O)c1c(cc2-c1ccccc2)C(C(=O)C)CCC(=O)C	PC-id_102293869	326.386	YSNXNVHLKGUHHS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056230
COC(=O)/C=C(c1cc(c2-c1c(C)cc(cc2C)C)C)/C(=O)OC	PC-id_101685500	326.386	LSSWLIBZYORVRJ-MHWRWJLKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056231
COC(=O)/C(=C/C(=O)OC)/c1c(C)cc2-c1c(C)cc(cc2C)C	CoCoCo_5731170,PC-id_5468210,NSC666123	326.386	NQQXWUGNDZLMOY-MHWRWJLKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056232
COC(=O)/C(=CC(=O)OC)/c1c(C)cc2-c1c(C)cc(cc2C)C	CoCoCo_5731171	326.386	NQQXWUGNDZLMOY-YBEGLDIGSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056233
[Na+].c1(cc2-c(ccc1)c(cc2S(=O)(=O)[O-])CC1CC1)C(C)C	CHEMBL328180	326.386	QJQYTCYWNLCURS-UHFFFAOYSA-M	00100010100000000110000000000010000000000000000000000000	31-01-056234
O(C(=O)C(=CC(=O)OC)c1c2-c(cc1C)c(cc(cc2C)C)C)C	PC-id_380508	326.386	NQQXWUGNDZLMOY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056235
O(C(c1cc2-c(c1)ccccc2)C(=O)c1cc2-c(c1)ccccc2)C	PC-id_12121404	326.388	WWKHMJWCESHOLW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056236
Cc1c2-c(c(cc2[N+](=O)[O-])C=CC(C)(C)N=O)cc(cc1)C(C)C	PC-id_87882149,SCHEMBL5711255	326.39	YBPYWCQJZKXBRS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056237
CCCNC(=O)c1cccc(c1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_318666268	326.39	ZCMLIPRTMJREGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056238
CC(C)(NC(=O)c1ccccc1)C(=O)N1CCCc2occc2C1	ZINC22_2325733329	326.39	GEUDUPQPBHSBAZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056239
CCOC(=O)c1cc(c2n1CCCCN2)C(=O)c1ccc(cc1)C	PC-id_102368528	326.39	WTUKHIWDEGXEOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056240
COc1ccc2c(c1NC(=O)c1noc3c1CCCCC3)CCC2	EMOLS-id_100441875	326.39	WXFQUDJKUFBYMO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056241
COc1cccc2c1CCC2NC(=O)c1noc2c1CCCCC2	EMOLS-id_100109319	326.39	HCBHLRDSDWWQQL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056242
COc1cccc(c1)C1(CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_98754064	326.39	HEBGZWAVLKZDFN-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-056243
CO[C@@H]1[C@H](NC(=O)N2CCCc3c(C2)cco3)Cc2c1cccc2	EMOLS-id_101692208	326.39	WSVRNSNSCFWHAE-AEFFLSMTSA-N	00000010100000100100000000001010000000000000000000000000	31-01-056244
OC1CC(N(C1)C(=O)c1noc2c1CCCCC2)c1ccccc1	EMOLS-id_112012196	326.39	JHIKBGUTISGRSK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-056245
OCC1(NC(=O)c2noc3c2CCCCC3)Cc2c(C1)cccc2	EMOLS-id_97701060	326.39	OJWMSIMKWOFFEB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056246
O=C(c1noc2c1CCCCC2)N1CCOCC1c1ccccc1	EMOLS-id_100119897	326.39	TUXLTHDDIRTVEE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-056247
O=C(c1noc2c1CCCCC2)N1CCOC(C1)c1ccccc1	EMOLS-id_111824494	326.39	NVUJMAFBLJSGPS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-056248
O=C(CN1CCCc2c(C1)cco2)NCC1Cc2c(O1)cccc2	EMOLS-id_99338707	326.39	ZXTNSYAYWCRKIR-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-056249
O=C(N1CCCc2c(C1)cco2)Nc1ccc(cc1)C1COCC1	EMOLS-id_101459359	326.39	VDJLZTIMOXNGQZ-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-056250
O(C(=O)c1c2n(CCCCC2)c(c1N)C(=O)c1ccccc1)CC	PC-id_23823243	326.39	CKMPADDNAANXFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056251
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1cccs1	EMOLS-id_112072048	326.391	MCSCSPCQYGQUHO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-056252
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1ccsc1	EMOLS-id_112072387	326.391	RUEIPFDWPIAYNN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-056253
O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cc2c(s1)CCCNC2=O	ZINC22_2325779346	326.391	ZTKTXYXGMPCFRJ-MRVPVSSYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-056254
O=C(N[C@H]1C=CS(=O)(=O)C1)c1cc2c(s1)CCCNC2=O	ZINC22_2325779347	326.391	ZTKTXYXGMPCFRJ-QMMMGPOBSA-N	00000011100000000100000000000010000000000000000000000000	31-01-056255
c12CN(CCCn1nc(C)c2)C(=O)Nc1ccc2c(CC(O2)C)c1	PC-id_118772517,EMOLS-id_68894933,MCULE-9813510729	326.393	HSPHGJFFPAVUTI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056256
c12CN(CCCOc3ccc(cc3)OC)CCCn1nc(C#N)c2	EMOLS-id_316262947,ZINC22_1506406989,MCULE-3460659914	326.393	SVVIOOFBXDXMNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056257
C1CCc2nnc(n2CC1)COc1ccc(cc1)C1CCC(=O)N1	MCULE-6267481480,EMOLS-id_316941302,PC-id_136569743	326.393	NPFVCCJHXINUOZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-056258
c1(C(=O)N2CC(C2)O)cc2n(CCCN(Cc3ccccc3)C2)n1	MCULE-9500908887,ZINC22_67921762,PC-id_56720236,EMOLS-id_36460957	326.393	CMYCBYFWXKEOGC-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-056259
c1(C(=O)N2CCN(CC2)c2ccccn2)c2CCCCCc2on1	TIMTEC121730,ZINC22_7000018,MCULE-3502809673,EMOLS-id_16234795,CoCoCo_2401393,PC-id_17254354,STOCK6S-91104	326.393	DHJORDNPTSUFQM-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-056260
c1(C(=O)NCc2ccc3c(CC(O3)C)c2)cn2c(CCNCC2)n1	EMOLS-id_330483715,MCULE-9519296052	326.393	ABRHQZCTXIUNNF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056261
c1(C(=O)N[C@@H](Cc2ccccc2)C(=O)N)c2CCCCCc2[nH]n1	EMOLS-id_323253691,MCULE-5045510722	326.393	ASWVGJOZEBETGI-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056262
Cc1cc2n(n1)CCCN(C(=O)Nc1ccc3c(c1)C[C@@H](C)O3)C2	ZINC22_299760440	326.393	HSPHGJFFPAVUTI-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056263
Cc1cc2n(n1)CCCN(C(=O)Nc1ccc3c(c1)C[C@H](C)O3)C2	ZINC22_299760441	326.393	HSPHGJFFPAVUTI-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056264
Cc1cc(C)nc(n1)C1CN(C1)C(=O)c1noc2c1CCCCC2	MCULE-7551430305,EMOLS-id_320274515	326.393	RDKAZQQQOKWIFY-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-056265
Cc1ccnc([C@H](NC(=O)c2noc3c2CCCCC3)C2CC2)n1	ZINC22_156964553,PC-id_99703181	326.393	GWDNSCIOZANPIY-OAHLLOKOSA-N	00100000100000100101000000000010000000000000000000000000	31-01-056266
Cc1ccnc([C@@H](NC(=O)c2noc3c2CCCCC3)C2CC2)n1	ZINC22_156964697,PC-id_99703182	326.393	GWDNSCIOZANPIY-HNNXBMFYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-056267
Cc1ccnc(n1)C(C1CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_53781691,MCULE-4763434707,PC-id_121515696	326.393	GWDNSCIOZANPIY-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-056268
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)CNC(=O)C	EMOLS-id_319230855	326.393	CYRGUTGXEZGIQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056269
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)C(=O)N(C)C	EMOLS-id_319169401	326.393	ZMQYROYVQVHBAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056270
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1)OCC1CC1	EMOLS-id_319556493	326.393	XIJVSURPOKTHEV-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056271
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(C2CC2)c(cc1=O)C	EMOLS-id_319687310	326.393	NCWUAICKJUIUID-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-056272
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cccc(c1)NC(=O)C	EMOLS-id_319404578	326.393	ZASCNEKCYSUCNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056273
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccccc1NC(=O)C	EMOLS-id_319444928	326.393	NQIIOTFOUBLOBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056274
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccccc1C(=O)N	EMOLS-id_319131402	326.393	SEKYGUCLIAQVFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056275
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccc(cc1)C(=O)N	EMOLS-id_319824563,MCULE-6157615519	326.393	QYOHFLPVJQHCGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056276
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CN(c1ccccc1)C(=O)C	EMOLS-id_319623088	326.393	GKAJGVNYKIMUAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056277
Cc1cncc(c1)C(=O)N1CC(Cn2nccc2C1)OCC1CC1	EMOLS-id_313813028	326.393	PDKOXDZFWQOCCW-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056278
Cc1cncc(C(=O)N2Cc3ccnn3C[C@@H](OCC3CC3)C2)c1	ZINC22_585099139	326.393	PDKOXDZFWQOCCW-KRWDZBQOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056279
Cc1cncc(C(=O)N2Cc3ccnn3C[C@H](OCC3CC3)C2)c1	ZINC22_585099140	326.393	PDKOXDZFWQOCCW-QGZVFWFLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056280
CC1Oc2c(C1NC(=O)N1CCCc3c(C1)cnn3C)cccc2	EMOLS-id_101708357	326.393	CKXZIZDRDRHHIF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056281
CCc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)oc1CC	ZINC22_128872087	326.393	NTEIQYPXHTWMNV-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056282
CCc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)oc1CC	ZINC22_128872303	326.393	NTEIQYPXHTWMNV-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056283
CCc1oc(cc1CC)C(=O)C(c1nnc2n1CCCCC2)C#N	EMOLS-id_316316539,MCULE-9156205388	326.393	NTEIQYPXHTWMNV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056284
CC(C)CN1C(=O)CN(C)C(=O)c2c1ncn2Cc1ccccc1	BindingDB_PC-id_14199036,PC-id_14199036,CHEMBL94777	326.393	QUFXKEUIDGLHOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056285
CCC(=O)Nc1ccc(NC(=O)c2c3c(CCCCC3)[nH]n2)cc1	EMOLS-id_335048526,MCULE-2457592957	326.393	VOEHBYIRNAIGCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056286
C[C@@H]1Cc2cc(CNC(=O)c3cn4c(n3)CCNCC4)ccc2O1	ZINC22_1857720016	326.393	ABRHQZCTXIUNNF-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056287
C[C@H]1Cc2cc(CNC(=O)c3cn4c(n3)CCNCC4)ccc2O1	ZINC22_1857720017	326.393	ABRHQZCTXIUNNF-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056288
C[C@@H](NC(=O)c1ccc2c(c1)CCO2)c1nnc2n1CCCCC2	ZINC22_29892248	326.393	PKVJMGDOIHXKKA-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056289
C[C@H](NC(=O)c1ccc2c(c1)CCO2)c1nnc2n1CCCCC2	ZINC22_29892251	326.393	PKVJMGDOIHXKKA-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056290
CCn1nc2n(c1=O)CCC(CC2)C(=O)N1CCc2c1cccc2	EMOLS-id_207876821	326.393	PVXXJCIIMRJMIA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056291
CC(NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	CoCoCo_2544491,PC-id_20964699	326.393	OGGLVEKXOJMZEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056292
CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C	PC-id_53034582,MCULE-8978948200,EMOLS-id_32633186	326.393	PVKLFGCFTPKAKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056293
CC(=O)Nc1cccc(c1C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101676533	326.393	MZDQVHOKKNLOIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056294
CC(=O)Nc1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101676530	326.393	RZCGQTYMSBZIGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056295
CC(=O)Nc1ccc(cc1)NC(=O)Cn1cc2c(n1)CCCCC2	CHEMBL1532529,CoCoCo_2192305,ChEMBL-DNDi_CHEMBLC881-1060,PC-id_16012214	326.393	YSHJPQDRRGVMMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056296
Cn1ncc(c1)C1=CCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_319952157,MCULE-2958783182	326.393	YMVDVYWHPKJKDH-UHFFFAOYSA-N	00000000100011000101100000000010000000000000000000000000	31-01-056297
CN(CC1CCc2c(C(=O)C1)c(c[nH]2)C(=O)Nc1ccccn1)C	PC-id_20762204,SCHEMBL6497908	326.393	MVSOJDXPOKGVJW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-056298
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1ccc(C)cn1	EMOLS-id_313808686	326.393	HBUTUMSYMUFBFQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056299
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1cc(C)ccn1	EMOLS-id_313808942	326.393	OYGYGPOYUFMNMR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056300
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1ccc(C)nc1	EMOLS-id_313812513	326.393	YYCPTSMPMMCGCQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056301
CNC(=O)C[C@@H]1CN(C(=O)c2ccc(C)cn2)Cc2cccn2C1	ZINC22_585099057	326.393	HBUTUMSYMUFBFQ-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056302
CNC(=O)C[C@H]1CN(C(=O)c2ccc(C)cn2)Cc2cccn2C1	ZINC22_585099058	326.393	HBUTUMSYMUFBFQ-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056303
CNC(=O)C[C@@H]1CN(C(=O)c2cc(C)ccn2)Cc2cccn2C1	ZINC22_585099137	326.393	OYGYGPOYUFMNMR-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056304
CNC(=O)C[C@H]1CN(C(=O)c2cc(C)ccn2)Cc2cccn2C1	ZINC22_585099138	326.393	OYGYGPOYUFMNMR-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056305
CNC(=O)C[C@@H]1CN(C(=O)c2ccc(C)nc2)Cc2cccn2C1	ZINC22_585099255	326.393	YYCPTSMPMMCGCQ-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056306
CNC(=O)C[C@H]1CN(C(=O)c2ccc(C)nc2)Cc2cccn2C1	ZINC22_585099256	326.393	YYCPTSMPMMCGCQ-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056307
COc1ccc2c(c1NC(=O)C1CCn3c(CC1)nnc3)CCC2	EMOLS-id_316729850	326.393	QZGJJHMBFYEIFI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056308
COc1ccc(cc1)C1(CC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319282757	326.393	CZYRMWTUQHQDSW-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-056309
COc1cccc(c1)[C@@H]1C[C@H]1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319090201	326.393	ZYQDXESKGQXBPL-FFPFEORLSA-N	00100000100000110101100000000010000000000000000000000000	31-01-056310
COc1cc(C#N)ccc1OCCN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319795773	326.393	RZLMWUUBNDEFEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056311
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)C1CCC1	EMOLS-id_50590079,PC-id_91922492,MCULE-5169396633	326.393	UZYPOEIASBGBQU-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-056312
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)C1CCOC1	EMOLS-id_337818681,MCULE-9010586782	326.393	HKTNBTWCSXKHNG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-056313
n1n2CCCN(Cc3cccc4cc[nH]c34)Cc2cc1C(CO)O	MCULE-1449858995,EMOLS-id_55611493,PC-id_91763098	326.393	DZRXSZYMRGLKML-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056314
N#Cc1ccccc1OCC(CN1CC(C)Cc2c(C1)cn[nH]2)O	EMOLS-id_319840625,MCULE-6623465469	326.393	UEXNTROPSJHALP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056315
NCCN(Cc1ccccc1)C(=O)c1cc2n(n1)CCCCC2=O	ZINC22_2325768454	326.393	DXOPLPXXTOQGBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056316
O1c2c(CC1)cc(C(=O)NC(c1n3CCCCCc3nn1)C)cc2	EMOLS-id_35699464,PC-id_53517553,MCULE-9630958948	326.393	PKVJMGDOIHXKKA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056317
O=C1C2C3CCC(C2C(=O)N1Cc1nnc2n1CCCCC2)C=C3	EMOLS-id_101985284	326.393	KZSNXOMSUNFREZ-UHFFFAOYSA-N	00000010100011000101000000000010000000000000000000000000	31-01-056318
O=C1CC[C@H](c2ccc(OCc3nnc4n3CCCCC4)cc2)N1	ZINC22_902786961	326.393	NPFVCCJHXINUOZ-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-056319
OC1CC(N(C1)C(=O)C1CCn2c(CC1)nnc2)c1ccccc1	EMOLS-id_316610403	326.393	SDBOWMVZVCMVJK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-056320
O=C1N(CCCn2nc(cc12)C(=O)NCC)Cc1ccc(cc1)C	PC-id_16028368	326.393	RSJANZHZRXMQJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056321
O=C1N(CCCn2nc(cc12)C(=O)NCCC)Cc1ccccc1	PC-id_50798056	326.393	VKQYAECUXNODBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056322
O=C(C1CC1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1	PC-id_97462590,ZINC22_96188147	326.393	HZAIZECHLQKLAQ-CQSZACIVSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056323
O=C(C1CC1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1	ZINC22_96188151,PC-id_97462594	326.393	HZAIZECHLQKLAQ-AWEZNQCLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056324
O=C(C1CC1)N1CC(COCc2ccccn2)Cn2ccnc2C1	EMOLS-id_44326053	326.393	HZAIZECHLQKLAQ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056325
O=C(C1CCC1)N1Cc2nccn2C[C@H](COc2cccnc2)C1	PC-id_97462451,ZINC22_96188004	326.393	KEHUYKNWHLWVCY-AWEZNQCLSA-N	00001000100000101101000000000010000000000000000000000000	31-01-056326
O=C(C1CCC1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	ZINC22_96188000,PC-id_97462447	326.393	KEHUYKNWHLWVCY-CQSZACIVSA-N	00001000100000101101000000000010000000000000000000000000	31-01-056327
O=C(C1CCC1)N1CC(COc2cccnc2)Cn2ccnc2C1	EMOLS-id_44325997	326.393	KEHUYKNWHLWVCY-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-056328
O=C(c1ccc2c(c1)COC2)NCCc1nnc2n1CCCCC2	EMOLS-id_98388097	326.393	JKLBZHBKCYDLJE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056329
O=C(c1cccc2c1COC2)NCCc1nnc2n1CCCCC2	MCULE-2651968629,EMOLS-id_319895461	326.393	SDIKIQOAIKYFBM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056330
O=C(c1ccccc1)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97517032	326.393	GQIHJUSMCOMJHV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-056331
O=C(c1ccccn1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	ZINC22_247798092	326.393	DOLBQAVDEJHEQZ-HNNXBMFYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056332
O=C(c1ccccn1)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_247798094	326.393	DOLBQAVDEJHEQZ-OAHLLOKOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056333
O=C(C1CCn2c(CC1)nnc2)Nc1cccc2c1OC(C2)(C)C	EMOLS-id_320314168,MCULE-8971780588	326.393	CEQPVTAEFCGWCM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056334
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)OCC1CC1	EMOLS-id_319178142	326.393	VWEWSQLAFCNDRB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-056335
O=C(C1CCn2c(CC1)nnc2)NCC1(O)CCc2c1cccc2	MCULE-2356083569,EMOLS-id_320167183	326.393	YSPFPOQGAFONDP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056336
O=C(C1CCn2c(CC1)nnc2)NCCc1ccc2c(c1)CCO2	EMOLS-id_316649559	326.393	GLZVYTAJHIRUMD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056337
O=C(c1cc[nH]c1)N1CCc2ccc(C(=O)N3CCCC3)n2CC1	EMOLS-id_313770703,ZINC22_1565544315	326.393	DSKVWTRVRKMFQL-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-056338
O=C(c1[nH]c2c(c1C)C(=O)CCC2)N1CCCc2c(C1)cnn2C	EMOLS-id_101668264	326.393	IADWOMNZJGTEED-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-056339
O=C(c1n[nH]c2c1CCCCC2)N1CC[C@@H](Oc2ccncc2)C1	MCULE-5041460160,ZINC22_353017573,EMOLS-id_316029929	326.393	XCWITHKSKXZHKI-CQSZACIVSA-N	00000010100000101101000000000010000000000000000000000000	31-01-056340
O=C(c1noc2c1CCCCC2)N1CCCCC1c1ncccn1	EMOLS-id_318917057	326.393	LFMOKOZJJCKKSV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-056341
O=C(c1noc2c1CCCCC2)N1CCNCC1c1ccncc1	EMOLS-id_102106019	326.393	DJSHNNDUAHEOCA-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-056342
O=C(c1noc2c1CCCCC2)N1CCNC(C1)c1ccncc1	EMOLS-id_110257921	326.393	VKJDPMKDXAEELW-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-056343
O=C(CC1CC1)N1Cc2nccn2C[C@H](COc2cccnc2)C1	PC-id_97462457,ZINC22_96188010	326.393	SUZGUWSZGGFGQH-HNNXBMFYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056344
O=C(CC1CC1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	ZINC22_96188006,PC-id_97462453	326.393	SUZGUWSZGGFGQH-OAHLLOKOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056345
O=C(CC1CC1)N1CC(COc2cccnc2)Cn2ccnc2C1	EMOLS-id_44325999,PC-id_118739328	326.393	SUZGUWSZGGFGQH-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056346
O=C(Cc1ccccc1)NCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318836914	326.393	YOYJRGUGBHCYCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056347
O=C([C@H]1CCOC1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356149995	326.393	HKTNBTWCSXKHNG-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-056348
O=C([C@@H]1CCOC1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356149996	326.393	HKTNBTWCSXKHNG-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-056349
OC[C@H](c1nn2c(c1)CN(CCC2)Cc1cccc2c1[nH]cc2)O	PC-id_99971965	326.393	DZRXSZYMRGLKML-QGZVFWFLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056350
OC[C@@H](c1nn2c(c1)CN(CCC2)Cc1cccc2c1[nH]cc2)O	PC-id_99971966	326.393	DZRXSZYMRGLKML-KRWDZBQOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056351
O(CCN1CCCn2nc(cc2C1)C#N)c1cc(OCC)ccc1	PC-id_50972490	326.393	WUAJUFCSXVWFPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056352
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O=C(N1CCc2n(CC1)c(nn2)Cc1ccccc1)C1COCC1	ChEMBL-DNDi_CHEMBL34176367	326.393	CEDTXTHUXDUBRD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-056354
O=C(N1CCCc2c(C1)cnn2C)NC1CCc2c1cccc2O	EMOLS-id_101721348	326.393	LVSNAAKAVYPNBU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056355
O=C(N1CCCc2c(C1)cnn2C)NCC1Cc2c(O1)cccc2	EMOLS-id_101716487	326.393	XPUGRACOZFCQOB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056356
O=C(N1CCCc2c(C1)cnn2C)NCC1COc2c1cccc2	EMOLS-id_101710274	326.393	FWVBXJSNQBGUDW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056357
O=C(N1CCCn2c(C1)c(COc1cccnc1)nc2)CC1CC1	PC-id_97405886	326.393	CHZRKUBTNHSAFK-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056358
O=C(N1CC(COCC2CC2)Cn2nccc2C1)c1ccccn1	EMOLS-id_44327053	326.393	DOLBQAVDEJHEQZ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056359
O=C(Nc1cccc(OCc2nnc3n2CCCCC3)c1)C1CC1	PC-id_121578490,MCULE-3524503537,ZINC22_278735669,EMOLS-id_76042278	326.393	UYBPMDORPYCJPO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-056360
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c12CN(CCCn1nc(CNc1ncccn1)c2)C(=O)C1CCC1	PC-id_70767265,MCULE-2026237411,EMOLS-id_44445361,ZINC22_82137598	326.396	YDQJCPITZJUMPN-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-056363
c12CN(CCCn1nc(C#N)c2)C(=O)CCCn1c(C)cc(C)n1	MCULE-2170135206,ZINC22_584886415,EMOLS-id_177375061	326.396	WVAVICWNBXTDBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056364
c12nc(C)cc(C)n1ncc2CN1CCCn2nc(CO)cc2C1	EMOLS-id_55614797,PC-id_91764293,MCULE-2184676664	326.396	LZJFRJFOYHWNAQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056365
c1cc(c2ccc(CNCCc3nnc4n3CCCCC4)o2)[nH]n1	PC-id_121551031,MCULE-5586527557,ZINC22_253433252,EMOLS-id_75984014	326.396	UMRUXHWSIZPGHC-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-056366
c1(cc(nn1C)CC(C)C)C(=O)N1CCCn2nc(C#N)cc2C1	PC-id_50968660,ZINC22_65422183,MCULE-5109630434,EMOLS-id_32407018	326.396	DPQZCKCXZCUKDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056367
Cc1ccc(o1)c1[nH]ncc1CNCc1nnc2n1CCCCC2	PC-id_121840450	326.396	HRAXMUKYABNWOE-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-056368
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncc(n1)N1CCCC1	EMOLS-id_318961689	326.396	IYPKHVBELCCDSK-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-056369
Cc1nc(C)n(CC2CN(Cc3ccoc3)Cc3nccn3C2)n1	EMOLS-id_46160773	326.396	JXAYHVDAQFGLRX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056370
Cc1nc(C)n(C[C@H]2CN(Cc3ccoc3)Cc3nccn3C2)n1	ZINC22_96067144,PC-id_97389463	326.396	JXAYHVDAQFGLRX-INIZCTEOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056371
Cc1nc(C)n(C[C@@H]2CN(Cc3ccoc3)Cc3nccn3C2)n1	ZINC22_96067145,PC-id_97389464	326.396	JXAYHVDAQFGLRX-MRXNPFEDSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056372
Cc1noc(C)c1CN1CCc2ncc(Cn3cccn3)n2CC1	CHEMBL3554926,EMOLS-id_44328805,ZINC22_96196938,PC-id_97467082	326.396	OZJXLVZJSJTPGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056373
Cc1oc(cc1C)CN1CCn2c(CC1)ncc2Cn1ncnc1	PC-id_97467149	326.396	JXMUSEPRQDYLDF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056374
CCc1ccc(CN2CCc3ncc(Cn4cncn4)n3CC2)o1	EMOLS-id_44328901,ZINC22_96196985,PC-id_97467129	326.396	XIDZLULDTRSDSP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056375
CCc1ccc(o1)CN1CC(Cn2cncn2)Cn2c(C1)ncc2	PC-id_118743714	326.396	FGUSRALZCWQKDX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056376
CC(C)Cn1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cn1	ZINC22_181529987	326.396	HLMRLSMJIQFWFY-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056377
CC(C)Cn1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cn1	ZINC22_181530007	326.396	HLMRLSMJIQFWFY-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056378
Cn1ncc2c1CC(C)(C)CN(Cc1cc(=O)n3nccc3[nH]1)C2	MCULE-7140899732,ZINC22_664878070,EMOLS-id_320354211	326.396	PINCBHCKCLCEHP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056379
CN(C1Cc2c(C1)cccc2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158968	326.396	ROSCZUBCQBIBRM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056380
CN(C(=O)c1cc2c([nH]1)ccn2C)Cc1nnc2n1CCCCC2	EMOLS-id_319794790	326.396	MCOJRWDYWYTHCU-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-056381
Nc1ccnc(n1)C1CCCN1C(=O)c1cnc2n1CCCCC2	EMOLS-id_319667958	326.396	XWRQSYZCLIYNOP-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-056382
N#CC(c1nnc2n1CCCCC2)C(=O)c1cnn(c1)CC(C)C	EMOLS-id_76021268,PC-id_121564355,MCULE-4134833490	326.396	HLMRLSMJIQFWFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056383
N#CCCN(Cc1cccnc1)Cn1nc2n(c1=O)CCCCC2	MCULE-2699488300,ZINC22_44894842,EMOLS-id_30194524,PC-id_45803519	326.396	IPCVMMMSJXJMBK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056384
o1c2nc(nc(N(Cc3n[nH]c4c3CCCCC4)C)c2nc1C)C	PC-id_46997145	326.396	PRXBONHJTHECGD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056385
O=C1CCCN1Cc1nnc2CCN(Cc3ccccn3)CCn12	EMOLS-id_44371276,CHEMBL3554478,PC-id_97519949,ZINC22_96259868	326.396	QANJXJUMVRHTMO-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-056386
O=C(c1c2c(CCCCC2)[nH]n1)N1CCN(c2ncccn2)CC1	EMOLS-id_334817804,MCULE-5721429898	326.396	JIKNRHAVQQJXPH-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-056387
O=C(C1CCCN1c1ncccn1)N1CCCc2c(C1)cnn2C	EMOLS-id_316681994	326.396	RXEZCUWOATVMOH-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-056388
O=C(c1cccnc1)N1CCCn2c(C1)nnc2CN1CCCC1	PC-id_97405579	326.396	JCBAIJYXFNOMFX-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-056389
O=C(C1CCn2c(CC1)nnc2)NC1CCN(C1)c1ccccn1	MCULE-6439552429,EMOLS-id_320163657	326.396	INFCNIYNJYBYIQ-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-056390
O=C(c1ccncc1)N1CCCn2c(CN3CCCC3)nnc2C1	PC-id_97519708,ZINC22_96259626,EMOLS-id_44370800	326.396	IVYYDOFROPOVBE-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-056391
O=C(c1ccnnc1)N1Cc2nccn2C[C@H](CN2CCCC2)C1	PC-id_97462811,ZINC22_96188372	326.396	ZGPYAODLRYKHRF-AWEZNQCLSA-N	00000010100000100101000000000010000000000000000000000000	31-01-056392
O=C(c1ccnnc1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	PC-id_97462812,ZINC22_96188373	326.396	ZGPYAODLRYKHRF-CQSZACIVSA-N	00000010100000100101000000000010000000000000000000000000	31-01-056393
O=C(c1cnc2n1CCCCC2)N1CCN(CC1)c1ccnnc1	MCULE-5377106514,EMOLS-id_320291095	326.396	GMYNWQXROOLKBD-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-056394
O=C(c1cnccn1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	PC-id_97462810,ZINC22_96188371	326.396	WMIUAJPFZCVCPP-CQSZACIVSA-N	00000010100000100101000000000010000000000000000000000000	31-01-056395
O=C(c1cnccn1)N1Cc2nccn2C[C@H](CN2CCCC2)C1	ZINC22_96188370,PC-id_97462809	326.396	WMIUAJPFZCVCPP-AWEZNQCLSA-N	00000010100000100101000000000010000000000000000000000000	31-01-056396
O=C(c1n[nH]c2c1CCCCC2)N1CCN(CC1)c1ccnnc1	EMOLS-id_319454702	326.396	PCILHXOQVYJPSF-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-056397
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Nc1nccc(n1)C1CC1	EMOLS-id_319170936	326.396	VREVUCZFFLQDNG-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-056398
O=C(N1CC(C1c1ccccc1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102164917	326.396	FCEMNJBSJQSWKL-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-056399
O=C(N1CCc2n(CC1)c(nn2)Cc1cccnc1)[C@H]1CCCN1	EMOLS-id_49886193,MCULE-3408014565,PC-id_77089912	326.396	CFMYFARMZSRXMT-CQSZACIVSA-N	00000010100000101101000000000010000000000000000000000000	31-01-056400
O=C(N1CCC(C1)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102159034	326.396	DMWDFDOJMNKKLP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-056401
O=C(N1CCCC1c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183216	326.396	HVFUFXLQFBXSTF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-056402
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc(cn1)C1CCC1	EMOLS-id_319799917	326.396	GQZZJEJDOJMIAT-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-056403
O=C(N1CC(CN2CCCC2)Cn2ccnc2C1)c1ccnnc1	EMOLS-id_44326213	326.396	ZGPYAODLRYKHRF-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-056404
O=C(N1CC(CN2CCCC2)Cn2ccnc2C1)c1cnccn1	EMOLS-id_44326211	326.396	WMIUAJPFZCVCPP-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-056405
O=C(NC1(CCC1)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102175508	326.396	UQLNQVQQPYFUJE-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-056406
O=C(NC1CCc2c1ccc(c2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102172964	326.396	SZXNPVKXVVVIHI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056407
O=C(N(C1CCc2c1cccc2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102183246	326.396	RSLHYSHTNNXDSS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056408
O=C(NC1(C)Cc2c(C1)cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102166996	326.396	JRHGADBPDUBFRA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056409
O=C(Nc1cccc(c1)C1CCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102018388	326.396	LXGXIOPPCQTDMK-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-056410
O=C(NC1CCn2c(CC1)nnn2)NC1CC(C1)c1ccccc1	EMOLS-id_102175559	326.396	HJXMFVMAHOPRAQ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-056411
O=C(NC1CCn2c(CC1)nnn2)N[C@@H]1C[C@H](C1)c1ccccc1	EMOLS-id_102175703	326.396	HJXMFVMAHOPRAQ-XDDQGNLKSA-N	00001000100000110101100000000010000000000000000000000000	31-01-056412
O=C(NCC1CN(CC2CC2)Cc2nccn2C1)c1cnccn1	EMOLS-id_44326517	326.396	AGPFPAUAFYOSIU-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-056413
O=C(NC[C@H]1CN(CC2CC2)Cc2nccn2C1)c1cnccn1	PC-id_97463109,ZINC22_96188676	326.396	AGPFPAUAFYOSIU-AWEZNQCLSA-N	00100000100000100101000000000010000000000000000000000000	31-01-056414
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CCc1cc(N(C)Cc2nnc3n2CCCCC3)n2ncnc2n1	ZINC22_52165649,EMOLS-id_36921882,PC-id_56815313,MCULE-1303318418	326.399	VZXSINYSPLHVFR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056416
C=CCC1(COCCC(=O)OCC)COc2c(OC1)csc2	PC-id_69582401,SCHEMBL5822988	326.408	UNYOHOLYZGCRNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056417
CCOc1c[cH+]cc(c2c1c(C)n(c2C)Cc1ccco1)OCC	PC-id_26864423,CoCoCo_6391192	326.409	DAUJMNBIDVZDDO-UHFFFAOYSA-N	00000000101000000110000000000010000000000000000000000000	31-01-056418
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CC(C)(C)OC(=O)N1CCCc2c(C1)sc(c2N)C(=O)OC	SCHEMBL20665856,PC-id_137429910	326.411	WRXHSLGNHONTNV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056421
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CCOC(=O)c1nc2CCN(CCc2s1)C(=O)OC(C)(C)C	PC-id_71305431,EMOLS-id_32233832,MCULE-5276959564,ZINC22_91302899	326.411	ZJADFVCBCTWNLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056423
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COC(=O)c1c2c(CN(C(=O)OC(C)(C)C)CCC2)sc1N	MCULE-4187983878,ZINC22_521398784,EMOLS-id_106490530	326.411	POZXLJXVGMAMSE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056427
COC(=O)c1n(C)cc2c1C/C=CCCCC(NS2(=O)=O)C	PC-id_140762742	326.411	QATKWJLEYKBVRQ-ALCCZGGFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-056428
CS(=O)(=O)C[C@@H]1CCN(C(=O)c2noc3c2CCCCC3)C1	ZINC22_646978765	326.411	BGGNEPQRPRFUGB-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056429
CS(=O)(=O)C[C@H]1CCN(C(=O)c2noc3c2CCCCC3)C1	ZINC22_646978766	326.411	BGGNEPQRPRFUGB-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-056430
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O=C(c1noc2c1CCCCC2)NCC1CCCCS1(=O)=O	EMOLS-id_101003395	326.411	OGKQVESQGOXLJB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056433
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N#Cc1c(NC(=O)OCc2ccccc2)sc2c1CCCCC2	PC-id_2422238,MCULE-8180386661,EMOLS-id_3091079,ZINC22_3306524,CoCoCo_3268405	326.413	SZIDTYXCKKJQIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056449
N#Cc1c(sc2c1CCCCC2)NC(=O)C1CC1c1ccco1	MCULE-1126529146,PC-id_71884355,EMOLS-id_44554569	326.413	FRYMNIFURUEIGC-UHFFFAOYSA-N	00100000101000000100100000000010000000000000000000000000	31-01-056450
NC(=O)c1ccc(/C=C/C(=O)N2CCCc3sccc3C2)cc1	PC-id_75376104,ZINC22_95406172	326.413	KRFSQNAMEGFSFL-VMPITWQZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056451
O=C(c1cc2c(s1)CCCCC2)Nc1ccc2c(c1)C(=O)NC2	EMOLS-id_98988920	326.413	KWDYLBCBVMRLGN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-056452
OCC#Cc1cccc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318932194	326.413	OMVGOJNVGXSNHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056453
OCC#Cc1cccc(c1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_319423183	326.413	OGJREVPEBKDYDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056454
s1c2CCCCCc2cc1C(=O)OCc1nc2n(c1)cccc2	PC-id_7226141	326.413	LBOPBWBDKPRDQJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056455
s1c2CCCCCc2c(c1NC(=O)C=Cc1oc(cc1)C)C#N	PC-id_4519340	326.413	GOBMQILXPNMSEO-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-056456
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c12CN(CCCn1nc(CNS(=O)(=O)C)c2)C(=O)C1CCC1	MCULE-1219202898,PC-id_70760768,EMOLS-id_44443103,ZINC22_82134035	326.414	ZEMKTDXDHWPFNG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-056458
c1(C(=O)N2CCN(CC2)S(=O)(=O)C)c2CCCCCc2n[nH]1	EMOLS-id_50401197,PC-id_75490418,STOCK7S-47403,EMOLS-id_49249217,ZINC22_96232169,MCULE-7706633538	326.414	TYBJNBXHOMUYDR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056459
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCN1CCCS1(=O)=O	EMOLS-id_319548083	326.414	QTBBCPIVSZPUTL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056462
CC1CN(CC(=O)NC2CCS(=O)(=O)C2)Cc2c(C1)[nH]nc2	EMOLS-id_319936777,MCULE-8291687803	326.414	YVLZAFCEBQUEQC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056463
CCN1CC(CC1=O)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-5421877540,EMOLS-id_319951909	326.414	CLFMICAYCHXEGD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056464
CCS(=O)(=O)N1CC(Cn2c(C1)cnc2)C(=O)NCC1CC1	PC-id_118740791	326.414	FGYXZWCAZATECA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056465
CCS(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	PC-id_97519496,EMOLS-id_44370374,ZINC22_96259412	326.414	NNDVBBXXVCYJOI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056466
CS(=O)(=O)N1CCc2ncc(CNC(=O)C3CCC3)n2CC1	EMOLS-id_44329061,ZINC22_96197068,PC-id_97467212	326.414	LNHHPNVLWWFVSJ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-056467
CS(=O)(=O)N1CCc2ncc(CNC(=O)CC3CC3)n2CC1	PC-id_97467199,ZINC22_96197055,EMOLS-id_44329035	326.414	CCWLCYRZQAPDPE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056468
CS(=O)(=O)NCC1CCn2nccc2CN1C(=O)CC1CC1	EMOLS-id_313818152	326.414	PBVBBUVUPTXIJE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056469
CS(=O)(=O)NCc1cnc2CCN(CCn12)C(=O)CC1CC1	EMOLS-id_44328993,PC-id_97467175,ZINC22_96197031	326.414	FDJCMNJNSZWNQK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056470
CS(=O)(=O)NC[C@H]1CCn2nccc2CN1C(=O)CC1CC1	ZINC22_585097654	326.414	PBVBBUVUPTXIJE-GFCCVEGCSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056471
CS(=O)(=O)NC[C@@H]1CCn2nccc2CN1C(=O)CC1CC1	ZINC22_585097658	326.414	PBVBBUVUPTXIJE-LBPRGKRZSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056472
O=C(C1CCCCS1(=O)=O)NCc1nnc2n1CCCCC2	EMOLS-id_99441096	326.414	NFUMQQHCUUPDQC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056473
O=C(CSCC(=O)O)NCCCc1nnc2n1CCCCC2	MCULE-2269105944,EMOLS-id_72146303,PC-id_120325772	326.414	HFVGYNOAXBLMGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056474
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O=C(NCc1n[nH]c2c1CCCCC2)N1CCS(=O)(=O)CC1	MCULE-7147393397,PC-id_121503961,ZINC22_426517835,EMOLS-id_177434200	326.414	MCNFYRHFPBDVQY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056477
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O=C(NCc1n[nH]c2CCCCCc12)NC1CCS(=O)(=O)C1	MCULE-4336696825,EMOLS-id_232891908	326.414	XFCBDSZQUWKEDO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056480
O=S(=O)(C1CC1)N1CCCn2nnc(COCC3CC3)c2C1	EMOLS-id_46148015,PC-id_97381516,ZINC22_96058859	326.414	YGLZEBYFJUXXBV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056481
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S(c1n2CCCCCc2nn1)CC(=O)NCCCC(=O)OC	PC-id_8379392	326.414	SDGMIQLYEYGLQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056483
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c1(c2CCCCc2cs1)C(=O)N1CCCn2nc(C#N)cc2C1	EMOLS-id_32395708,PC-id_50962665,MCULE-3199821870,ZINC22_65403243	326.416	YWGNWQJWTRULEQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-056487
c1(c2ccccc2n(C)n1)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-4862045106	326.416	HXSROCSIIIRVPL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056488
c1ccc(c2cc(CSc3nnc4n3CCCCC4)no2)cc1	PC-id_8379266,EMOLS-id_11856762,CoCoCo_4054305,ZINC22_7280633,MCULE-9552236818	326.416	SHRHNWQDXBCDNP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-056489
c1ccc(c2cnc(CSc3nnc4n3CCCCC4)o2)cc1	EMOLS-id_3712312,ZINC22_6097961,MCULE-6549504669,CoCoCo_3081974,PC-id_7877266	326.416	GUMTYNPCFJURNR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-056490
c1cncc(O[C@H]2CN(Cc3nccs3)Cc3cccn3C2)c1	ZINC22_253588791	326.416	SKZVIYIKSHKPEA-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056491
c1cncc(O[C@@H]2CN(Cc3nccs3)Cc3cccn3C2)c1	ZINC22_253588792	326.416	SKZVIYIKSHKPEA-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056492
c1(C(=O)N)cn2c(CCN(Cc3cc4c(cccc4)s3)CC2)n1	EMOLS-id_336502707,MCULE-1156514551,ZINC22_1940194900	326.416	BDOVODRKVSKHQV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056493
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)sc(n2)C	EMOLS-id_319200558	326.416	OQUKMHCZXYUBLS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056496
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nsc2c1cc(C)cc2	EMOLS-id_319737517	326.416	WIQTUNSTDFCAAG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056497
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1sccc1n1cccc1	EMOLS-id_319942801,MCULE-3568363677	326.416	RUQRGKLDKPJIOL-UHFFFAOYSA-N	00000000110100000101100000000010000000000000000000000000	31-01-056498
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)ncn2C	EMOLS-id_320032020,MCULE-8247796838	326.416	OJSWATAVJKTCGF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056499
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N#Cc1c(sc2c1CCCCCC2)NC(=O)c1cncnc1C	EMOLS-id_110431654	326.416	QFUMWIYRINKJJN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056518
N#CC(c1nnc2n1CCCCC2)C(=O)c1sc2c(c1)CCC2	PC-id_71944393,EMOLS-id_44491613,MCULE-9956976251	326.416	JGMONKCJAGTGAB-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-056519
N#C[C@@H](C(=O)c1cc2c(s1)CCC2)c1nnc2n1CCCCC2	PC-id_97010552,ZINC22_84338860	326.416	JGMONKCJAGTGAB-LBPRGKRZSA-N	00000010100000000101000010000010000000000000000000000000	31-01-056520
N#C[C@H](C(=O)c1cc2c(s1)CCC2)c1nnc2n1CCCCC2	ZINC22_60851398,PC-id_94870558	326.416	JGMONKCJAGTGAB-GFCCVEGCSA-N	00000010100000000101000010000010000000000000000000000000	31-01-056521
O=C(c1cc2c(s1)CCCCC2)Nc1nc2c(n1C)nccc2	EMOLS-id_99972388	326.416	XPKHARMQFOTSBZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056522
O=C(c1ccc2n(c1)ccn2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98171257	326.416	PAKAVYJMWMZSJB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056523
O=C(c1ccc2n(c1)cnc2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98102682	326.416	JPBONTWJEWDHDX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056524
O=C(c1cnc2c(c1)cc[nH]2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101237044	326.416	AZAYXYDGYUUOCQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056525
O=C(c1c[nH]c2c1cccn2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98559721	326.416	WASMHMRRPSTPPT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056526
O=C(c1cnn2c1nccc2)NCc1cc2c(s1)CCCCC2	GD-id_ZINC50387361	326.416	XXSPHUHJVNNPSI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056527
O=C(Cc1ccc2c(c1)cn[nH]2)Nc1nc2c(s1)CCCCC2	EMOLS-id_100195644	326.416	QOKYUTAXCYKYCH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056528
O=C(Cc1ccc2c(c1)[nH]nc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_98955760	326.416	LBSLLIJGHFMCFH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056529
O=C(Cn1cc2c(n1)cccc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_100400639	326.416	IYCPZZLTLWQSBF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056530
O/C(=CSc1nnc2n1CCCCC2)/c1c[nH]c2c1cccc2	CoCoCo_3081664,CoCoCo_3081667	326.416	WUSCPPBUPQZCKJ-PTNGSMBKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056531
O/C(=C/Sc1nnc2n1CCCCC2)/c1c[nH]c2c1cccc2	CoCoCo_3081665,CoCoCo_3081666	326.416	WUSCPPBUPQZCKJ-RVDMUPIBSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056532
O=C(CSc1nnc2n1CCCCC2)c1c[nH]c2ccccc12	PC-id_9268281,CoCoCo_3081663,MCULE-7149662681,ZINC22_8133317,EMOLS-id_3675406	326.416	JJCSWMQVJGSOLO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056533
O=C(N1CCCc2c(C1)cnn2C)Cc1nsc2c1cccc2	EMOLS-id_102132025	326.416	DSKHVTYIIYKSBE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056534
O=C(N1CCCCc2c1sc(n2)C)Cc1cnn2c1cccc2	EMOLS-id_318858052	326.416	KSCLQCVBOZTVIZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056535
O=C(N1CCCCc2c1sc(n2)C)Cc1n[nH]c2c1cccc2	EMOLS-id_319426929	326.416	PNZZJJMKHWJINW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056536
O=C(N1CCCCc2c1sc(n2)C)Cn1cnc2c1cccc2	EMOLS-id_319010612	326.416	HIRFZUBLTGMTNT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056537
O/C(=Nc1nnc2ccccn12)/c1cc2c(s1)CCCCCC2	PC-id_39031843,ZINC22_31805795	326.416	OJKQBHCKCCRWAY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056538
O=C(NCc1nc2ccccc2[nH]1)c1cc2c(s1)CCCNC2	EMOLS-id_324073812,PC-id_146102890,ZINC22_1875292394,MCULE-2056277501	326.416	GVNYLNSYZULBJH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056539
O=C(NCc1nnc2ccccn12)c1cc2c(s1)CCCCC2	ZINC22_8344870,MCULE-8960850350,CoCoCo_3875407,PC-id_9466458,EMOLS-id_3666545	326.416	DVHJMZIIVYPHCU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056540
O=C(NCc1nnc2n1CCCCC2)c1cc2ccccc2s1	MCULE-6998506846,EMOLS-id_17218751,CoCoCo_4625755,ZINC22_24923429,PC-id_24249630	326.416	DLXBQGUOYDKPKM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056541
s1c2CCCCCCc2cc1C(=O)Nc1n2nccc2ncc1	PC-id_56493338	326.416	WITNAPAIJWVHMY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056542
s1c2CCCCCCc2nc1NC(=O)c1c2[nH]ncc2ccc1	PC-id_56022750	326.416	LOSABDHMRSFVSE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056543
c1ccc(c2nnc(NCc3cc4n(n3)CCCNC4)s2)cc1	PC-id_70774462,ZINC22_82146821,EMOLS-id_44447797,MCULE-2598367122	326.419	QLJRQAWUYZCANK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-056544
c1cn(c2ccc(CSc3nnc4n3CCCCC4)cn2)cn1	MCULE-2644353490,PC-id_122137727,EMOLS-id_171540763,ZINC22_175931853	326.419	AUNMZRIXNBVIGU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-056545
CCCCNC(=O)c1cc(c2-c1ccccc2)C(=O)NCCCC	PC-id_102473708	326.433	BRCFCHBHKIVLPF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056546
CCn1c(CCCOCc2ccccc2)nc2c1CCCCC2=O	PC-id_121457937,SCHEMBL17895762	326.433	HXMNEWLGRLVXBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056547
COCCC1CN(Cc2cccn2C1)C(=O)c1cc(C)cc(C)c1	EMOLS-id_313837609	326.433	WCBXPJGCNUTCSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056548
COCC[C@@H]1CN(C(=O)c2cc(C)cc(C)c2)Cc2cccn2C1	ZINC22_585095545	326.433	WCBXPJGCNUTCSS-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056549
COCC[C@H]1CN(C(=O)c2cc(C)cc(C)c2)Cc2cccn2C1	ZINC22_585095546	326.433	WCBXPJGCNUTCSS-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056550
O=C(c1cc(c2-c1ccccc2)C(=O)NC(C)(C)C)NC(C)(C)C	PC-id_102183761	326.433	SEUDCFCYGFTPQO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056551
O=Cc1cc(c2-c1ccccc2OCCCN1CCN(CC1)C)C	SCHEMBL3285212,PC-id_59301621	326.433	FIYIZBPACXZTRP-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-056552
O=C(NCCCC)c1cc2-c(cc(c1)C(=O)NCCCC)ccc2	PC-id_86074082	326.433	IOAREZWCUUHMCE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056553
Cc1ccc(o1)S(=O)(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110734011	326.434	QUVATNAKEXLICB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056554
CCCc1nnc(SCC2(C)COc3cscc3OC2)o1	ZINC22_1775993672,EMOLS-id_316297140,MCULE-8310788311	326.434	UZOYLRAZWJBUEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056555
s1c2c(CCCCC2)c(c1NC(=O)CSC(=O)C)C(=O)N	PC-id_16949156	326.434	PJQVGGQXRXXHRK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056556
c1ccc(CCc2nc3n(n2)CCN(C[C@@H]2CCOC2)CC3)cc1	ZINC22_2356138863	326.436	RKKDRJSDPXGRPQ-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-056557
c1ccc(CCc2nc3n(n2)CCN(C[C@H]2CCOC2)CC3)cc1	ZINC22_2356138864	326.436	RKKDRJSDPXGRPQ-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-056558
C1CCC(CO1)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	MCULE-5280369380,EMOLS-id_318271857	326.436	NLASIGFPAYSYNV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-056559
c1ccc(COC[C@@H]2CN(CC3CCC3)Cc3cncn3C2)nc1	PC-id_97486747,ZINC22_96219866	326.436	KSMLABYYTZIDMD-QGZVFWFLSA-N	00001000100000101101000000000010000000000000000000000000	31-01-056560
c1ccc(COC[C@H]2CN(CC3CCC3)Cc3cncn3C2)nc1	ZINC22_96219864,PC-id_97486746	326.436	KSMLABYYTZIDMD-KRWDZBQOSA-N	00001000100000101101000000000010000000000000000000000000	31-01-056561
c1ccc(OCC2CC2)c(CNCc2nnc3n2CCCCC3)c1	PC-id_71937107,ZINC22_63508088,EMOLS-id_45642149,MCULE-9858446303	326.436	JQFZHUGAMJJBLZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-056562
c1cc(CO[C@H]2CN(CC3CCCC3)Cc3ccnn3C2)ccn1	ZINC22_253588543	326.436	HFJISJMGGRHTOT-IBGZPJMESA-N	00000010100000101101000000000010000000000000000000000000	31-01-056563
c1cc(CO[C@@H]2CN(CC3CCCC3)Cc3ccnn3C2)ccn1	ZINC22_253588544	326.436	HFJISJMGGRHTOT-LJQANCHMSA-N	00000010100000101101000000000010000000000000000000000000	31-01-056564
c1cc(NC2CCOCC2)ccc1Cc1nnc2n1CCCCC2	EMOLS-id_73039635,PC-id_121532512,ZINC22_184554663,MCULE-8811808304	326.436	WZQZVBLJAOFECH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-056565
c1cncc(CN2Cc3ccnn3C[C@@H](OCC3CCCC3)C2)c1	ZINC22_253602176	326.436	KCOAPRORJIWXNR-IBGZPJMESA-N	00000010100000101101000000000010000000000000000000000000	31-01-056566
c1cncc(CN2Cc3ccnn3C[C@H](OCC3CCCC3)C2)c1	ZINC22_253602177	326.436	KCOAPRORJIWXNR-LJQANCHMSA-N	00000010100000101101000000000010000000000000000000000000	31-01-056567
c1(CN(C)C(=O)Cc2cc(C)nc(C)c2)c2CCCCCc2[nH]n1	EMOLS-id_317857761,MCULE-2329176479,PC-id_138809024,ZINC22_1775982785	326.436	YHTNGEDVRYVZRK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056568
c1(C(O)C2CC2)cc2n(CCCN(CCCc3cccnc3)C2)n1	PC-id_91789076,MCULE-2099812789,EMOLS-id_55686049	326.436	BPMXHWIELURBDW-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056569
c1(C(=O)Nc2ccc(N(CC)CC)cc2)c2CCCCCc2[nH]n1	MCULE-2620827213,EMOLS-id_335064133	326.436	KXLSLUDYSPIGTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056570
c1(C(=O)NC(C)c2ccccc2)cc2n(CCCN(C(C)C)C2)n1	EMOLS-id_36427724,MCULE-4935826236,PC-id_56704196	326.436	WBEOAMZOQYGJSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056571
c1(C(=O)NCCCCc2ccccc2)cc2n(CCCN(C)C2)n1	ZINC22_65459227,PC-id_50974307,EMOLS-id_32417660,MCULE-4194399189	326.436	HCJLVQZBIVWPMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056572
CC1(C)Cc2c(O1)ccc(c2)CNCc1nnc2n1CCCCC2	MCULE-3100077885,EMOLS-id_51713732,PC-id_119121739	326.436	RGSZYPBLBJGCJT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056573
Cc1cc(cc(c1)C)C(NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101716715	326.436	RXRCSKKLWTVNGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056574
Cc1cccc(c1)C(CNC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_318678787	326.436	XNHKLYKYWCFWNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056575
Cc1ccccc1CC(=O)N1Cc2ccnn2CC[C@H]1CN(C)C	ZINC22_585096999	326.436	GNODTPHMLJPHNB-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056576
Cc1ccccc1CC(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C	ZINC22_585097010	326.436	GNODTPHMLJPHNB-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056577
Cc1cc(ccc1C(=O)N(C)C)NCc1cnc2n1CCCCC2	MCULE-7133173361,EMOLS-id_318613212	326.436	IWEBRUQHJOXHKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056578
Cc1cc(C)c(c(c1)C)CCNC(=O)C1CCn2c(CC1)nnc2	MCULE-1424238167,EMOLS-id_319905227	326.436	YDPYXYOXQLKABY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056579
Cc1cc(C)c(C)c(C(=O)NCc2nnc3CCCCCn23)c1C	PC-id_46999266,EMOLS-id_31625795,MCULE-1097895714,ZINC22_63883996	326.436	YEQADHPZONLOIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056580
Cc1ccc(CCC(=O)NCc2nnc3n2CCCCC3)c(C)c1	PC-id_24646602,MCULE-7896606426,CoCoCo_4625778,EMOLS-id_20023371,ZINC22_25442086	326.436	AAJAKGFKBXNSAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056581
Cc1cccc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)n1	PC-id_97463519,ZINC22_96189104	326.436	UWNBZIYJDPRQGZ-QGZVFWFLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056582
Cc1cccc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)n1	PC-id_97463520,ZINC22_96189105	326.436	UWNBZIYJDPRQGZ-KRWDZBQOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056583
Cc1cccc(CN2CC(COCC3CC3)Cn3nccc3C2)n1	PC-id_118745245,EMOLS-id_44327033,CHEMBL3553841	326.436	UWNBZIYJDPRQGZ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056584
Cc1ccc(CC(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)cc1	ZINC22_585098546	326.436	ZHUNFWYAOGQGRH-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056585
Cc1ccc(CC(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)cc1	ZINC22_585098547	326.436	ZHUNFWYAOGQGRH-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056586
Cc1cccnc1CN1Cc2ccnn2CCC1COCC1CC1	EMOLS-id_313823010	326.436	GSSDYJQQNJPODE-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056587
Cc1cccnc1CN1Cc2ccnn2CC[C@@H]1COCC1CC1	ZINC22_585097031	326.436	GSSDYJQQNJPODE-GOSISDBHSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056588
Cc1cccnc1CN1Cc2ccnn2CC[C@H]1COCC1CC1	ZINC22_585097034	326.436	GSSDYJQQNJPODE-SFHVURJKSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056589
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1ccc(c(c1)C)C)C	EMOLS-id_319321504	326.436	NKGLQJTVITXKLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056590
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1ccc(cc1C)C)C	EMOLS-id_319457435	326.436	SHZYTVWCSFRZFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056591
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1cc(C)cc(c1)C)C	EMOLS-id_319090665	326.436	VPANHOJLRAEXDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056592
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1cc(C)ccc1C)C	EMOLS-id_319211116	326.436	FBHDQFNAAQBNJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056593
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1c(C)cccc1C)C	EMOLS-id_319331156	326.436	BHCFXYPOPRLRNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056594
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)N(Cc1ccccc1)C)C	EMOLS-id_320198340,MCULE-1662113719	326.436	PEFDYTNQNKVJAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056595
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)NCCc1ccccc1)C	EMOLS-id_319014405	326.436	NVESGPDEWCIXDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056596
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1cccc(c1)N(C)C	EMOLS-id_319139850	326.436	UABHIBMQEBMCHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056597
CC1CN(CC(=O)Nc2c(C)cc(cc2C)C)Cc2c(C1)[nH]nc2	MCULE-4780327742,EMOLS-id_319962362	326.436	HJGGECCULLHVEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056598
CC1CN(CC(=O)N(Cc2ccccc2C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319342465	326.436	WLETWCYDRYMISK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056599
CC1(C)Oc2c(C1)cccc2CNCc1nnc2n1CCCCC2	MCULE-8410932217,EMOLS-id_318257356	326.436	RMPWLEUYDVHUST-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056600
CC1OCCC1Nc1ccc(cc1)Cc1nnc2n1CCCCC2	MCULE-7469334664,EMOLS-id_318287090	326.436	PVVZCXWFZAQAOO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-056601
CC1OCCN(C1)c1ccccc1CN1CCCc2c(C1)c[nH]n2	PC-id_139020679,EMOLS-id_320366958,MCULE-6527513383	326.436	DSZPUISQCYECMD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-056602
C(Cc1ccccc1)c1nc2CCN(CC3CCOC3)CCn2n1	EMOLS-id_337808642,MCULE-8918013989	326.436	RKKDRJSDPXGRPQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-056603
CC(c1ccc(cc1)CCNC(=O)C1CCn2c(CC1)nnc2)C	MCULE-5731267784,EMOLS-id_319917802	326.436	FGKDEQRUNHHKIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056604
CCc1ccc(cc1)CCNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318149340	326.436	AAYUIZZSQROKLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056605
CCc1ccc(cc1)C(=O)N1CC(CN(C)C)Cn2nccc2C1	EMOLS-id_50374897	326.436	DICUMVKSFWQFPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056606
CCc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CN(C)C)C2)cc1	ZINC22_248084330	326.436	DICUMVKSFWQFPI-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056607
CCc1ccc(C(=O)N2Cc3ccnn3C[C@H](CN(C)C)C2)cc1	ZINC22_248084331	326.436	DICUMVKSFWQFPI-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056608
CCc1nc(ccc1C(=O)N1CCCc2c(C1)cnn2C)C(C)C	EMOLS-id_101678345	326.436	BVRBDDQRMGCLNG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056609
CCCC(c1ccccc1)C(=O)NCc1nnc2n1CCCCC2	MCULE-7859284827,PC-id_53527045,EMOLS-id_36261877	326.436	WQZZCWLVWVHVTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056610
CC(C)Cc1ccc(NC(=O)N2CCCc3c(cnn3C)C2)cc1	ZINC22_575603499,MCULE-3521616709,EMOLS-id_99137902	326.436	CDJNQPISHDMZEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056611
CC(=C[C@@H]1[C@H](C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)C1(C)C)C	PC-id_93773666,ZINC22_41507169	326.436	YABIVITXGIMWIO-IIAWOOMASA-N	00100000100000000101000000000010000000000000000000000000	31-01-056612
CC(=C[C@@H]1[C@@H](C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)C1(C)C)C	PC-id_93773677,ZINC22_41507185	326.436	YABIVITXGIMWIO-FMKPAKJESA-N	00100000100000000101000000000010000000000000000000000000	31-01-056613
CC(=C[C@@H]1[C@@H](C(=O)[C@H](C#N)c2nnc3n2CCCCC3)C1(C)C)C	ZINC22_248203499	326.436	YABIVITXGIMWIO-LZWOXQAQSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056614
CC(=C[C@@H]1[C@H](C(=O)[C@H](C#N)c2nnc3n2CCCCC3)C1(C)C)C	ZINC22_248203501	326.436	YABIVITXGIMWIO-SQWLQELKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056615
CCC[C@H](C(=O)NCc1nnc2n1CCCCC2)c1ccccc1	PC-id_93824399,ZINC22_41820370	326.436	WQZZCWLVWVHVTC-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056616
CCC[C@@H](C(=O)NCc1nnc2n1CCCCC2)c1ccccc1	PC-id_93824400,ZINC22_41820372	326.436	WQZZCWLVWVHVTC-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056617
CCC(N1CC(C)Cc2c(C1)cn[nH]2)C(=O)Nc1ccc(cc1)C	EMOLS-id_318959332	326.436	QHZWMINZFOSWNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056618
CC(C)N1CCCn2c(C1)ccc2C(=O)NCCc1ccccn1	MCULE-9991074271,EMOLS-id_317419358	326.436	DPJSTWXIAXKSAI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056619
CC(C)N1CCCn2nc(C(=O)N[C@@H](C)c3ccccc3)cc2C1	PC-id_95195530,ZINC22_67605859	326.436	WBEOAMZOQYGJSV-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056620
CC(C)N1CCCn2nc(C(=O)N[C@H](C)c3ccccc3)cc2C1	PC-id_95195531,ZINC22_67605862	326.436	WBEOAMZOQYGJSV-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056621
CC(C)N(C)Cc1ncn2c1CN(C(=O)c1ccccc1)CCC2	PC-id_97519299,ZINC22_96259215,EMOLS-id_44369976	326.436	BYOUCDQOUBSBBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056622
CCC(N(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1)C	EMOLS-id_278110857	326.436	MSNUMTBWWYSFRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056623
CCCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc(cc1)C	EMOLS-id_319217696	326.436	KHZDVFFKISTAFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056624
C[C@H]1CN(c2ccccc2CN2CCCc3n[nH]cc3C2)CCO1	ZINC22_668840736	326.436	DSZPUISQCYECMD-HNNXBMFYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-056625
C[C@@H]1CN(c2ccccc2CN2CCCc3n[nH]cc3C2)CCO1	ZINC22_668840743	326.436	DSZPUISQCYECMD-OAHLLOKOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-056626
CCN(c1ccc(cc1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)CC	EMOLS-id_319029319	326.436	PUAHIKSRTRMOGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056627
CCN(C(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)c1ccccc1)C	EMOLS-id_320134651,MCULE-5967063463	326.436	KYNNWTYPAUZFDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056628
CC(NC(=O)C1CCn2c(CC1)nnc2)Cc1cc(C)cc(c1)C	EMOLS-id_319815739	326.436	HRSKAFIPZDFVRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056629
CN(C1CCC1)C1CCn2c(CC1)nn(c2=O)Cc1ccccc1	EMOLS-id_97042237,MCULE-3107506682	326.436	AEAWRABQWDLLKR-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-056630
CN(CC1CN(Cc2n(C1)ccn2)C(=O)Cc1ccc(cc1)C)C	PC-id_118744201	326.436	RHWHKWOPDXLRGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056631
CN(CCc1ccc(cc1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319720867	326.436	XIIXHGMOJDHXEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056632
CN(C)CC1CCn2nccc2CN1C(=O)Cc1ccccc1C	EMOLS-id_313818412	326.436	GNODTPHMLJPHNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056633
CN(C)CC1CCn2nccc2CN1C(=O)Cc1ccc(C)cc1	EMOLS-id_313817645	326.436	ZHUNFWYAOGQGRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056634
CN(C)CC1CN(Cc2nccn2C1)C(=O)CCc1ccccc1	EMOLS-id_44326103,PC-id_118743660	326.436	DNBNSBLOQJWESD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056635
CN(C)C[C@H]1CN(C(=O)CCc2ccccc2)Cc2nccn2C1	ZINC22_96188264,PC-id_97462707	326.436	DNBNSBLOQJWESD-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056636
CN(C)C[C@@H]1CN(C(=O)CCc2ccccc2)Cc2nccn2C1	ZINC22_96188265,PC-id_97462708	326.436	DNBNSBLOQJWESD-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056637
CN(CC(=O)N1CC(C)Cc2c(C1)cn[nH]2)CCc1ccccc1	MCULE-5612159566,EMOLS-id_319886696	326.436	DRIRLJXPXFUJHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056638
CN(C(=O)C1CCn2c(CC1)nnc2)c1ccc(cc1)C(C)(C)C	EMOLS-id_319637268	326.436	WGJOWVGRSDJHSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056639
C(OC1CN(CC2CCCC2)Cc2ccnn2C1)c1ccncc1	EMOLS-id_50016122	326.436	HFJISJMGGRHTOT-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-056640
C(OC1CN(Cc2cccnc2)Cc2ccnn2C1)C1CCCC1	EMOLS-id_50013898	326.436	KCOAPRORJIWXNR-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-056641
C(OCc1ccccn1)C1CN(CC2CCC2)Cc2cncn2C1	EMOLS-id_49238333	326.436	KSMLABYYTZIDMD-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-056642
COCc1nnc2CC(C)N(Cc3ccc4CCCc4c3)CCn12	EMOLS-id_313826600	326.436	JIMJSDHEJDLZPV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056643
COCc1nnc2n1CCN(Cc1ccc3c(c1)CCC3)[C@@H](C)C2	ZINC22_585097358	326.436	JIMJSDHEJDLZPV-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056644
COCc1nnc2n1CCN(Cc1ccc3c(c1)CCC3)[C@H](C)C2	ZINC22_585097359	326.436	JIMJSDHEJDLZPV-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056645
N#Cc1c(NC(=O)C[n+]2ccccc2C)sc2c1CCCCC2	GD-id_ZINC22353495	326.436	ZJKMEXUDBDMVCP-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-056646
N#Cc1c(NC(=O)C[n+]2cccc(c2)C)sc2c1CCCCC2	GD-id_ZINC22404577	326.436	XQXDDAPXOQUKDR-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-056647
N#CC(C(=O)C1C(C1(C)C)C=C(C)C)c1nnc2n1CCCCC2	MCULE-3110547497,PC-id_72052399,EMOLS-id_42949429	326.436	YABIVITXGIMWIO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056648
NC(=O)CCn1c(N)nc2c1C=CC(=CC2)C(=C)C1CCCCC1	PC-id_143082210	326.436	ZPGXIIMYLKOTDQ-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-056649
O1CCC(CC1)(NCc1nnc2n1CCCCC2)c1ccccc1	MCULE-4850925337,EMOLS-id_318102226	326.436	KYQWIZVKZIAVAH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-056650
O1C(CN2CCn3c(nnc3CCc3ccccc3)CC2)CCC1	PC-id_56704425	326.436	OEZDPKCVTKRSHQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-056651
OC1(CCC1)C(c1ccccc1)NCc1nnc2n1CCCCC2	EMOLS-id_319647517	326.436	ZGGMDAZEKLATPL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-056652
O=C(C1CCn2c(CC1)nnc2)NCC(c1ccccc1)C(C)C	MCULE-8130114362,EMOLS-id_320016987	326.436	ZRHVKYFJQBVLQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056653
O=C(C1CCn2c(CC1)nnc2)NCC(Cc1ccccc1)(C)C	MCULE-8749240735,EMOLS-id_319974291	326.436	PLLCZAVYAYUWAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056654
O=C(c1cnc2n1CCCCC2)N(c1ccccn1)CC(C)(C)C	EMOLS-id_316685995	326.436	POQFUXUINIMMIM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056655
O=C(C(C(c1ccccc1)N)(C)C)N1CCCc2c(C1)cnn2C	MCULE-1584107589,EMOLS-id_318343774	326.436	ISKKMYXQLCHFNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056656
O=C(C(N1CCCc2c(C1)cnn2C)C)Nc1ccc(c(c1)C)C	EMOLS-id_318353729	326.436	SMAVZUUXNULKNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056657
O=C(C(N1CCCc2c(C1)cnn2C)C)NCc1ccccc1C	EMOLS-id_318261349	326.436	VUFGEKVWSREPED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056658
O[C@@H](c1cc2n(n1)CCCN(CCCc1cccnc1)C2)C1CC1	PC-id_100182348,ZINC22_223034219	326.436	BPMXHWIELURBDW-LJQANCHMSA-N	00100000100000101101000000000010000000000000000000000000	31-01-056659
O[C@H](c1cc2n(n1)CCCN(CCCc1cccnc1)C2)C1CC1	PC-id_100182359,ZINC22_223034284	326.436	BPMXHWIELURBDW-IBGZPJMESA-N	00100000100000101101000000000010000000000000000000000000	31-01-056660
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(cc1)C(C)(C)C	EMOLS-id_101956643	326.436	ODDKJTSTAAEXRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056661
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1C(C)(C)C	EMOLS-id_101959180	326.436	XSKQHPUIXCQHRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056662
O=C(N1CCCc2c(C1)cnn2C)NC(c1cccc(c1C)C)C	EMOLS-id_101717901	326.436	LRNPLGVPTPDBNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056663
O=C(N1CCCc2[nH]cnc2CC1)Nc1ccc(C(C)(C)C)cc1	PC-id_20803129	326.436	HEWADQZKTJAWIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056664
O=C(N(C(c1ccccc1)C(C)C)C)C1CCn2c(CC1)nnc2	EMOLS-id_319408717	326.436	LLAJDBJKDYXAHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056665
O=C(NCCc1n2CCCCCc2nn1)c1ccc(C(C)C)cc1	PC-id_51307443	326.436	KJHVRYYLSPNIAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056666
O=C(NCCc1n2CCCCCc2nn1)C(c1ccccc1)(C)C	PC-id_51307485	326.436	KDOYORVFRVAHGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056667
O=C(NCCc1n2CCCCCc2nn1)C(CC)c1ccccc1	PC-id_51307463	326.436	QMDAOZMOORSWIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056668
CC1(C)Cc2[nH]ncc2CN(C1)S(=O)(=O)Cc1cscn1	EMOLS-id_319165185	326.438	MTDFBFWCFQNJHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056669
Cc1nc(c(s1)S(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101948574	326.438	GCTUVYGBNRPGNA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056670
Cc1ncsc1CCS(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_316873819,PC-id_145878191	326.438	SLLAWCCUMYZEIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056671
Cc1sc(c(n1)C)CS(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_111195986	326.438	TUIBGMVXUCGVHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056672
Cc1sc(nc1C)CS(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_111946142	326.438	FPGRTZSAFKSUMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056673
CCc1ncc(s1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950797	326.438	OYTQRXVILKTXDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056674
CCc1nnc(n1N)SCC1(C)COc2c(OC1)csc2	MCULE-9854284766,EMOLS-id_316296628	326.438	RZDSFSDJGCBCGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056675
Cn1ccc(n1)S(=O)(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_97731232	326.438	YUGAVHXIAXNAET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056676
C1CCC(CC1)c1ncnc(c1)NCc1nnc2n1CCCCC2	EMOLS-id_319251929	326.439	ZVRDMWPCXCAHCR-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-056677
c1ccc(cc1)CN1CCCC(C1)NC1CCn2c(CC1)nnn2	EMOLS-id_318126438,MCULE-3484540427	326.439	VQYSLUZPPYMCQD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-056678
c1ccc(cc1)CN1CCC(CC1)NC1CCn2c(CC1)nnn2	MCULE-7777904530,EMOLS-id_318315451	326.439	SMNXLVYTAKAVAW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-056679
c1ccc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)nc1	EMOLS-id_36296238,ZINC22_69416504,MCULE-9729871081,PC-id_53560461	326.439	CMPQTFHHEGVDTJ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-056680
c1ccc(nc1)NC1CCN(CC1)Cc1nnc2n1CCCCC2	MCULE-6911179235,EMOLS-id_318257734	326.439	LBOVPIQLGNSNMB-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-056681
C1CCN(CC1)Cc1nnc2n1CCN(CC2)Cc1ccccn1	PC-id_97519969	326.439	QQVJBFQJXMXTHL-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-056682
c1cncc(Cc2nnc3n2CCN(C[C@@H]2CCCNC2)CC3)c1	PC-id_95723697,ZINC22_72161522	326.439	AAYMQXSAPQHLBD-MRXNPFEDSA-N	00000000100010101101000000000010000000000000000000000000	31-01-056683
c1cncc(Cc2nnc3n2CCN(C[C@H]2CCCNC2)CC3)c1	PC-id_95723698,ZINC22_72161523	326.439	AAYMQXSAPQHLBD-INIZCTEOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-056684
c1cncc(CN2CCCn3nnc(CN4CCCCC4)c3C2)c1	PC-id_97519690,ZINC22_96259608,EMOLS-id_44370764	326.439	YXVGWYUYPDJXNX-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-056685
c1cncc(CN2CCN(Cc3cc4n(n3)CCCNC4)CC2)c1	ZINC22_72165331,MCULE-3022747846,EMOLS-id_43162246,PC-id_56910893	326.439	ANDKNENADYPEPH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-056686
Cc1cccc(CN2CCCn3c(CN4CCCC4)nnc3C2)n1	PC-id_97519797,EMOLS-id_44370976,ZINC22_96259715	326.439	LZCZYGINDAHHAL-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-056687
Cc1cccnc1C1CCCC(C1)NC1CCn2c(CC1)nnn2	EMOLS-id_102000615,MCULE-1123604658	326.439	LMSZSYADHOJSOO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-056688
C(C1CCCNC1)N1CCc2nnc(Cc3cccnc3)n2CC1	MCULE-4554157190,PC-id_56908830,EMOLS-id_43156130	326.439	AAYMQXSAPQHLBD-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-056689
Cc1ccnc(c1)N1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_111341858	326.439	HGSCMQNXCOXIQL-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-056690
CC(c1ccccc1)N1CCC(C1)NC1CCn2c(CC1)nnn2	EMOLS-id_318316219,MCULE-9671294768	326.439	LTVUEGDSIWWAGL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-056691
CCc1ccc(cc1)NC(=NCCc1nnc2n1CCCCC2)N	PC-id_111039165	326.439	QECVHYLXAVPYQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056692
CCc1cccc(c1)NC(=NCCc1nnc2n1CCCCC2)N	PC-id_111039169	326.439	GLUBWOLFHKJSDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056693
C=C(n1c2c(CCCCCC2)nn1)n1c2c(CCCCCC2)nn1	PC-id_134848035	326.439	XDTZGDPATPVXRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056694
CCNC(=NCc1ccccc1)NCc1nnc2n1CCCCC2	PC-id_110954272	326.439	PVZMPHZEVMWGDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056695
CN(Cc1cnc2n1CCN(CC2)CC1CC1)Cc1cncnc1	PC-id_97390250	326.439	OVFPZJNHQZFISR-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-056696
CN=C(NC(c1ccccc1)C)NCc1nnc2n1CCCCC2	PC-id_110949642	326.439	DZDWZTTXWKHYDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056697
CN=C(N(Cc1ccccc1)C)NCc1nnc2n1CCCCC2	PC-id_110951588	326.439	KOFXGZXPBQJCOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056698
CN(C(=NCc1ccccc1)NCc1nnc2n1CCCCC2)C	PC-id_111031970	326.439	CMZVHXODVNNYTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056699
CN=C(NCc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_110954696	326.439	XVZSCRKUORUFNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056700
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1)C	PC-id_111244257	326.439	CRSVAFLEXURRQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056701
CN=C(NCc1nnc2n1CCCCC2)NCc1ccccc1C	PC-id_111359202	326.439	XVOLELJWEPWRSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056702
CN=C(NCc1nnc2n1CCCCC2)NCc1cccc(c1)C	PC-id_111900115	326.439	HHVXHFZCMYGZHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056703
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccccc1	PC-id_111135615	326.439	NXSOIZQSEPFDKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056704
n1ccc(cc1)N1CCC(CC1)NCc1nnc2n1CCCCC2	EMOLS-id_100980277	326.439	UPIIJUZVBGBJHX-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-056705
N1(CCC(Nc2ncccc2)CC1)Cc1nn2c(c1)CNCCC2	PC-id_56901764	326.439	WBQGOLLSTGHXGE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-056706
NC(=NCc1nnc2n1CCCCC2)Nc1cccc(c1)C(C)C	PC-id_111031934	326.439	GTKIHIJBDNHWBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056707
NC(=NCCc1nnc2n1CCCCC2)Nc1ccc(c(c1)C)C	PC-id_111039143	326.439	MADMQGFJOPENOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056708
NC(=NCCc1nnc2n1CCCCC2)Nc1cc(C)cc(c1)C	PC-id_111039135	326.439	FVGPPRGKKSWUHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056709
NC(=NCCc1nnc2n1CCCCC2)NCCc1ccccc1	PC-id_111039133	326.439	LASJEQCNWKZDIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056710
NC(=NCCCc1nnc2n1CCCCC2)Nc1cccc(c1)C	PC-id_111093699	326.439	NRVRCVXIUZKMQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056711
NC(=NCCCc1nnc2n1CCCCC2)Nc1ccc(cc1)C	PC-id_111093735	326.439	FPPVNLVWUWIBEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056712
CCCCCCCCC(=O)OCC1COc2c(OC1)csc2	PC-id_102435522,SCHEMBL17646202	326.451	PXEAKXTYHIMMOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056713
O[N+](=Cc1c2-c(c(c1)C(=O)C)c(ccc(C(C)C)c2)C)C(C)(C)C	PC-id_59968771	326.453	LMSXLHXMXODBPC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056714
CC(COc1nc2c(s1)CCN(CC2)C(=O)OC(C)(C)C)C	PC-id_138671080,SCHEMBL21041446	326.454	BHMNNEMHZLYEHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056715
CCS(=O)(=O)N1Cc2cccn2C[C@H](CCOCC2CC2)C1	ZINC22_585095025	326.454	AHCJYHMAHIKBBT-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056716
CCS(=O)(=O)N1Cc2cccn2C[C@@H](CCOCC2CC2)C1	ZINC22_585095026	326.454	AHCJYHMAHIKBBT-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056717
CCS(=O)(=O)N1CC(CCOCC2CC2)Cn2cccc2C1	EMOLS-id_313836580	326.454	AHCJYHMAHIKBBT-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056718
COC1=CCC=Cc2c1c(NCC(c1ccccc1)(C)C)ns2	PC-id_143425328	326.456	UZSSJAWSFSFKGX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-056719
O=C(c1cc2c(s1)CCCCC2)NCc1ccc2c(c1)CNC2	PC-id_120462573	326.456	GYVCRBLYRRDETL-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-056720
O=C(C(N1CCCc2c(C1)ccs2)c1ccccc1)NC1CC1	EMOLS-id_318155971	326.456	INWRZQIAVZGPJN-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-056721
s1c2c(CCCCC2)cc1C(=O)N1C(CCC1)c1ccncc1	PC-id_24670285	326.456	WOOVZAXWHKRESW-UHFFFAOYSA-N	00000010100000101100100000000010000000000000000000000000	31-01-056722
s1c2N(Cc3c(cc(cc3)C)C)C(=O)CN=C(c2c(c1C)C)C	PC-id_54559520	326.456	ZPOIEAWAVJCAHB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-056723
s1c2N(Cc3ccc(cc3)C)C(=O)CN=C(c2c(c1C)CC)C	PC-id_59936995	326.456	VXVIEZRCKAREGP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-056724
s1c(C(=O)N(C2CC2)Cc2cccnc2)cc2c1CCCCC2	PC-id_51207204	326.456	INURLESBFJKJMJ-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-056725
s1c(C(=O)N(C2CC2)Cc2ncccc2)cc2c1CCCCC2	PC-id_51220618	326.456	KTWAXRBUENWJEE-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-056726
s1c(NC(=O)C2(CC2)c2cc(ccc2)C)nc2c1CCCCC2	PC-id_56143041	326.456	PRACJIAZBMKPSL-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-056727
s1c(NC(=O)C2(CC2)c2ccccc2)nc2c1CCCCCC2	PC-id_56060760	326.456	PRDSZLIIBVMNSI-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-056728
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CCCN1CCCC1	EMOLS-id_319697550	326.458	FYXNSQBUYMTPGT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056729
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)N1CC(C)CC(C1)C	EMOLS-id_319531343	326.458	ALAGQUUZDUZUGZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056730
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)N(C1CCCCC1)C	MCULE-6621419046,EMOLS-id_320313138	326.458	MPWYBKPHRYLIRU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056731
CC1(C)CCN(CCS1(=O)=O)Cc1nnc2n1CCCCC2	EMOLS-id_100905921	326.458	LWVMHEDAYXQQSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056732
CC1CCN(CC1)S(=O)(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_232896752,ZINC22_822425745,MCULE-5308571456	326.458	RWHLXDWAHWPEEL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056733
CCC1CN(Cc2nnc3n2CCCCC3)CC(S1(=O)=O)C	EMOLS-id_98913578	326.458	CKBKXFRYEHJYEP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056734
CCC(c1nnc2n1CCCCC2)NC1CCCS(=O)(=O)C1	EMOLS-id_98764257	326.458	NKGVYRQFUMEHET-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056735
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)CC1CCC1	EMOLS-id_98694668	326.458	ZBGVMSUHGUOHCG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-056736
CC(C)CN1CCCn2nc(CNS(=O)(=O)C3CC3)cc2C1	EMOLS-id_44426397,PC-id_70713003,ZINC22_82093612,MCULE-7386110643	326.458	YALMWJJUOKLGEA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056737
CCCS(=O)(=O)N1CC(CN2CCCC2)Cn2c(C1)ncc2	PC-id_118743103	326.458	DJSIPHBATSAESM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056738
C[C@@H](NCC1(CS(=O)(=O)C)CC1)c1nnc2n1CCCCC2	ZINC22_660261711,PC-id_145879868,MCULE-3591232911,EMOLS-id_316907986	326.458	NNTODIPNKMCRBD-GFCCVEGCSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056739
CCS(=O)(=O)NCC1CCn2nccc2CN1CC1CCC1	EMOLS-id_313816360	326.458	CPJOCXRWOXGCFB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-056740
CCS(=O)(=O)NC[C@@H]1CCn2nccc2CN1CC1CCC1	ZINC22_585096772	326.458	CPJOCXRWOXGCFB-AWEZNQCLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-056741
CCS(=O)(=O)NC[C@H]1CCn2nccc2CN1CC1CCC1	ZINC22_585096773	326.458	CPJOCXRWOXGCFB-CQSZACIVSA-N	00001000100000000101000000000010000000000000000000000000	31-01-056742
Cn1ncc2c1CCCN(C2)S(=O)(=O)N(C1CCCCC1)C	EMOLS-id_101948298	326.458	XCZNRUXRAQJRQB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056743
CN(C(C)C)Cc1ncn2c1CN(CCC2)S(=O)(=O)C1CC1	PC-id_97519346	326.458	CMCAZMBTKVMGES-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056744
CS(=O)(=O)C1CCCC(C1)NCc1nnc2n1CCCCC2	EMOLS-id_110650343	326.458	ATFLKCNAYSCTNE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056745
CS(=O)(=O)N1CCC(CC1)NCc1n[nH]c2CCCCCc12	PC-id_56713328,ZINC22_67713237,MCULE-1657146915,EMOLS-id_36446797	326.458	OMTAHAQETJENPT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056746
CS(=O)(=O)NCC1CN(CC2CCCC2)Cc2ccnn2C1	EMOLS-id_50371371	326.458	ZFBOKLMRMOHUGA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056747
CS(=O)(=O)NC[C@H]1CN(CC2CCCC2)Cc2ccnn2C1	ZINC22_247562558	326.458	ZFBOKLMRMOHUGA-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056748
CS(=O)(=O)NC[C@@H]1CN(CC2CCCC2)Cc2ccnn2C1	ZINC22_247562566	326.458	ZFBOKLMRMOHUGA-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056749
O=S(=O)(NCc1nnc2n1CCCCC2)CCC1CCCC1	EMOLS-id_101345511	326.458	HVQIQQXYKGOCRD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056750
O=S(=O)(NCc1n[nH]c2c1CCCCC2)N1CCCCCC1	ZINC22_670440823,EMOLS-id_222758122,MCULE-9390181975	326.458	OJIJUWVVZZQPLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056751
S(c1n2CCCCCc2nn1)CC(=O)NCCCOC(C)C	PC-id_8379719	326.458	VRKVOTMJKHXODV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056752
CC(c1nnc2n1CCN(CC2)Cc1cc2c(s1)cccc2)C	PC-id_42322917,CoCoCo_1134636,CoCoCo_1134637	326.459	DEYUHDUCLDVZJE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056753
CN(CCn1ccc2c1C=C(C=CC2)N=C(c1cccs1)N)C	PC-id_143475859	326.459	SJUQKFFVRKODSX-UHFFFAOYSA-N	00000000100100000110000000000010000000000000000000000000	31-01-056754
[NH+]1(CCN(CC1)c1ccccc1)CCc1n2CCCCCc2nn1	PC-id_2318725	326.459	ICAHWNSHPJLJKZ-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-056755
CCC(c1ccccc2-c1c(cc2)CC(C)C)OC(=O)C(C)(C)C	PC-id_140359432	326.472	UNFIXOKQZAAUFT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056756
O(CCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)C(=O)C(C)(C)C	PC-id_19913323,SCHEMBL9695502	326.472	YMOWYESOZMGTOD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056757
O(CCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)C(=O)CCCC	PC-id_71341676	326.472	LPMVMNALQJUCLX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056758
O(C(=O)c1c2-c(c(CCCCCCC)c1)cccc(c2)C(C)C)C	PC-id_86145791	326.472	QHUQYMBCJMGJRA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056759
O(C(=O)c1cc(CCCCCCCCCC)c2-c1ccccc2)C	PC-id_71425244	326.472	LGHGQKDGNIHNIZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056760
O(C(=O)CCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)CCCC	PC-id_85603944	326.472	SVDXZAWOWDINDF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056761
O(C(=O)CCCCCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)C	PC-id_85603951	326.472	JEMFHNAKFAHBPG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056762
CCN(CC(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)CC	PC-id_102150320	326.476	SFRJPAZEEXZBSM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056763
COCCCn1cc(c2c1C=CCC#CC2CC)CN(C1CC1)C	SCHEMBL18508650	326.476	OFMBDFJNWWAULP-UHFFFAOYSA-N	00100000100000000110000000000010000000000000000000000000	31-01-056764
c1(NC(=S)NCC)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_6964410,SPECS-id_AO-476/43414183,MCULE-2175454601,TIMTEC21748,EMOLS-id_5310056,ZINC22_13818746,PC-id_3076851	326.477	BLVSRELBIOTKTC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056765
CCN(CC)C(=S)Nc1sc2c(c1C(=O)O)CCCCC2	PC-id_10758537,CHEMBL564155,BindingDB_PC-id_10758537	326.477	YGHVDTHISFMMCA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056766
O=C(C1(O)CCSCC1)Nc1sc2c(n1)CCCCCC2	PC-id_109903834	326.477	PLRBNDAURDBSOO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056767
s1c2c(CCCCC2)c(c1NC(=S)NCCC)C(=O)OC	PC-id_19650584	326.477	MUXKTCFUSJIZOI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056768
s1c2c(CCCCC2)c(c1NC(=S)NC(C)C)C(=O)OC	PC-id_19650623	326.477	HNZGBEPECUQAHE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056769
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@@H](SC)C	PC-id_40393500	326.477	QJYSUDHSMYHFNW-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-056770
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@H](SC)C	PC-id_40393501	326.477	QJYSUDHSMYHFNW-SNVBAGLBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056771
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(SC)C	PC-id_74679396	326.477	QJYSUDHSMYHFNW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056772
s1c2c(CCCCCC2)c(c1NC(=S)NCC)C(=O)OC	PC-id_19650607	326.477	STZGHLMCGIKWSB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056773
CCC(C(c1ccccc1)(C)C)NCc1nnc2n1CCCCC2	EMOLS-id_318267085	326.479	ATBODKXXOWFBIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056774
CCC(CC)CN1CCc2nnc(CCc3ccccc3)n2CC1	EMOLS-id_20670613,CoCoCo_1525159,MCULE-1642678113,CoCoCo_1525158,ZINC22_12333662,PC-id_42542004	326.479	MROKQVNNGFBCGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056775
CC(C)N(C)CC1CN(CCc2ccccc2)Cc2nccn2C1	EMOLS-id_46160549	326.479	ZYFHPBSTUWITQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056776
CC(C)N(C)C[C@@H]1CN(CCc2ccccc2)Cc2nccn2C1	PC-id_97389263,ZINC22_96066933	326.479	ZYFHPBSTUWITQS-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056777
CC(C)N(C)C[C@H]1CN(CCc2ccccc2)Cc2nccn2C1	ZINC22_96066932,PC-id_97389262	326.479	ZYFHPBSTUWITQS-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-056778
CCN(CC)CC1CN(CCc2ccccc2)Cc2ccnn2C1	EMOLS-id_55740997	326.479	DSMHXPRDRLYBEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056779
CCN(CC)CC1CN(CCc2ccccc2)Cc2nccn2C1	EMOLS-id_44326135,PC-id_118746414,CHEMBL3551390	326.479	PTVKZMTXKXUYCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056780
CCN(CC)C[C@H]1CN(CCc2ccccc2)Cc2ccnn2C1	ZINC22_306126318	326.479	DSMHXPRDRLYBEJ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-056781
CCN(CC)C[C@@H]1CN(CCc2ccccc2)Cc2ccnn2C1	ZINC22_306126319	326.479	DSMHXPRDRLYBEJ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056782
CCN(CC)C[C@H]1CN(CCc2ccccc2)Cc2nccn2C1	ZINC22_96188296,PC-id_97462739	326.479	PTVKZMTXKXUYCB-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-056783
CCN(CC)C[C@@H]1CN(CCc2ccccc2)Cc2nccn2C1	ZINC22_96188297,PC-id_97462740	326.479	PTVKZMTXKXUYCB-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056784
N1CCc2c(CC1)nc(s2)CC=Cc1csc2c1cccc2	PC-id_139769130	326.479	UOQQEOYWVVBIMD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056785
CCCCCN(C1=NSC(=Nc2c1sc(c2)CNC)O)C	PC-id_138615854,SCHEMBL20979815	326.481	QGWRJVQSFNBMIS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-056786
S=c1n2CCCCCc2nn1C[NH+](CC(=O)NC(C)(C)C)C	PC-id_9280944	326.481	LQKGWPZUWFRZBS-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-056787
s1c(C(O)(C(C)(C)C)C(C)(C)C)c2OCCCCCOc2c1	PC-id_10860393	326.494	QLFMULNLKRLSAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056788
CC=C=Cc1c2-c(c(c1S(C(C)(C)C)(C)C)C=O)ccccc2	PC-id_145572877	326.496	TYHBXSYRKMDWEA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056789
Clc1ncc(c(n1)Sc1nnc2n1CCCCC2)[N+](=O)[O-]	PC-id_108138979	326.762	MFUNWZYHZDDLRJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056790
Clc1ncnc(Sc2n3CCCCCc3nn2)c1[N+](=O)[O-]	PC-id_62101056	326.762	DAKDVERVYFXGDP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056791
CCc1nc(c(nc1Cl)Nc1cc2-c(ccccc2)c1)C(=O)N	SCHEMBL328224,PC-id_87092139	326.78	LUHVDPQYKNBDCI-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-056792
Clc1cc(F)c(cc1C(=O)c1cc2c(s1)CCCCC2)F	PC-id_107475852	326.789	DLSUAFWGEUKXCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056793
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cncc(c1)Cl	EMOLS-id_319224583	326.802	PCPVLJAMGWSJHG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056794
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ncccc1Cl	EMOLS-id_319237339	326.802	YPBCDAOASNYNKA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056795
Cc1ccc(c(c1)S(=O)(=O)N1CCCn2c(C1)cnn2)Cl	EMOLS-id_319983096,MCULE-7930108109	326.802	BIOLZORPRQSUNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056796
Clc1ccc(c(c1)S(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_316710398	326.802	NIILZXVAAXHDNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056797
Clc1cc(c(/N=c/2sc(=O)n3n2CCOCC3)nc1C)C	PC-id_18717173	326.802	MOUIGBIRARHWRN-VBKFSLOCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056798
Clc1cncc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948676	326.802	XGNMLMYCEAJGLI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056799
Clc1nc(Sc2n3CCCCCc3nn2)nc(OCC)n1	PC-id_62858916	326.805	DHXRIBGCJRJMQY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-056800
Clc1sc(nn1)C(=O)NC(c1n2CCCCCc2nn1)C	PC-id_80618460	326.805	FKIJBFQQGCQSFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056801
O=C(N1CCCn2c(C1)cc(n2)N)Nc1snc(c1Cl)C	EMOLS-id_319325328	326.805	CJSYJKSBVFYKJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056802
ClC(c1sc2c(CCCCC2)c1)c1cc(c(F)cc1F)C	PC-id_79724561	326.832	AGCBBKSJHXXJDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056803
ClC(c1sc2c(CCCCC2)c1)c1c(F)cc(c(F)c1)C	PC-id_80118580	326.832	VEXSERCOEJIBKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056804
ClC(c1sc2c(CCCCC2)c1)Cc1cc(F)c(F)cc1	PC-id_80384292	326.832	QEQXBKVHTSOREM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056805
ClC(c1sc2c(CCCCC2)c1)Cc1c(F)cccc1F	PC-id_80384381	326.832	NRFMHWDHZJJZEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056806
ClC(c1sc2c(CCCCC2)c1)Cc1c(F)cc(F)cc1	PC-id_80389158	326.832	DSSVWFGMAMINDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056807
ClC(c1sc2c(CCCCC2)c1)Cc1c(F)c(F)ccc1	PC-id_80123740	326.832	FFBVTDLENZPCNG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056808
ClS(=O)(=O)c1c2-c(c(c1)CC)c(OC)ccc(C(C)C)c2	PC-id_11723945	326.838	QLQZVUGEQIFQDU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056809
Clc1ccc(s1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319320348	326.865	NGYQJHFCYBZYFT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-056810
ClCc1nc(sc1)NC(=O)c1sc2CCCCCc2c1	PC-id_43322569	326.865	QBBLJPUIFCMYOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056811
ClCCN1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_63395158	326.885	RLILLUCIWSWENO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056812
NNC(c1cc2c(s1)CCCCC2)Cc1ccc(s1)Cl	PC-id_105295854	326.908	ATNULMCNTMKUFQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-056813
C1CC2=C(NC=C2SNC1)C(=O)NC3=CC(=C(C(=C3)F)F)F	PC-id_154021901	327.065	HSUYGRIAYVPMLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056814
CN1CC(F)(F)c2cc(I)nn2CC1=O	EMOLS-id_337734553	327.07	XLKMZAMSEPVSKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056815
C[C@@H]1CC[C@@H](c2nn(c(c2C1)OS(=O)(=O)C(F)(F)F)C)N	PC-id_164091574	327.086	XGOJBZTZNXTOEY-SVRRBLITSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056816
C1CN(CCC2=C1N=C(S2)N)CC3=CC(=CC=C3)C(F)(F)F	PC-id_153641562	327.102	HERPWIXOKVOUMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056817
C1CN(CCC2=C1N=C(S2)N)CC3=CC=C(C=C3)C(F)(F)F	PC-id_154380079	327.102	MUXSAUXLYSCZLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056818
C1CCC2=NN=C(N2CC1)C(=O)NCC3=C4C(=CC=C3)N=CS4	MCULE-3241528084,PC-id_164694054	327.115	AKQRUQOYUNXMNG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056819
CCOC(=O)c1c2-c(c(c(cc(c2)Br)C)O)oc1=O	EMOLS-id_73204464,MCULE-2911984691	327.127	MKPKMPLNVLDYDB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-056820
CCOC(=O)c1c(oc2c1cc(cc(c2=O)C)Br)O	PC-id_135742145	327.127	CFEWYTVKGRVFGL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-056821
Brc1ccc(o1)C(=O)N1CCc2n[nH]c(=O)n2CC1	PC-id_91910583,MCULE-5090500689,EMOLS-id_50589889	327.134	CHLZVQTYLVPFLZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056822
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)C=O)C2)C	PC-id_160525646	327.158	BLOHKCRMQXJLEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056823
CC1(CC2=C(CN(C1)S(=O)(=O)[C@@H]3CCC[C@H]3OC)C=NN2)C	EMOLS-id_317772740,MCULE-6577708863,PC-id_154787149	327.162	LXSFPCRKRSYTQE-ZIAGYGMSSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056824
O=C(c1cc(Cl)cc(Cl)c1O)N1CCCn2nncc2C1	ZINC22_829601530,MCULE-4823944326,EMOLS-id_316972467	327.166	LDXGWMVDUDDYLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056825
O=C(c1ccnc(c1Cl)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_278936282	327.169	CTGYVRSUFQYCIM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-056826
CCC1=C(N2CCCCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CN3CC	PC-id_152767900	327.171	ZXFJVUZBEOXHJJ-UHFFFAOYSA-M	00000000110000000100000000000010000000000000000000000000	31-01-056827
CCCN1C=CC=C1C(=O)C2=C(C=C3N2CCCCC3C(=O)[O-])C	PC-id_152767982	327.171	MOMUMDVAEINGIS-UHFFFAOYSA-M	00000000110000000100000000000010000000000000000000000000	31-01-056828
Brc1ccc2-c(cc(N/N=C/C=CC(=O)C=C3)c2)cc1	PC-id_21063089	327.175	FTULPTZTPXOFSK-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-056829
c1cc(ccc1N=Nc1cc2-c(ccc(cc2)Br)c1)O	PC-id_135815002	327.175	RUYSACZNDWPFAS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-056830
Cn1nc2CCN(Cc3ccc(Br)o3)CCn2c1=O	EMOLS-id_50589953,PC-id_91922412,MCULE-1041779237,CHEMBL4583498	327.177	NTPGMBIYOPMGLM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056831
CCOC(=O)C1=CC=C(C=C1)CC2CCCCCC3=C2N=NN3C	PC-id_153571864	327.195	VVMPVDNOKHATCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056832
Brc1cnsc1C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319528246	327.2	YJRRRCBFRJYMRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056833
C1CN(CCC1CC2=CN=CC=C2)CC3=NN=C4N3CCOCC4	PC-id_154801740	327.206	MMBNHEDHHPQXOM-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-056834
CC1CCC2=NC(=CN2C1)C(=O)N3CC4=C(CC(C3)(C)C)NN=C4	EMOLS-id_317292535,MCULE-7925279618,PC-id_154765079	327.206	OYKFHDVHLIJXPW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-056835
Clc1cc(Cl)c(cc1Oc1n(C)nc2c1CCCCC2)O	SCHEMBL3604021,PC-id_68710014	327.206	NAUVWYJNOBGPNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056836
Clc1ccc(c(c1)Cl)CNCc1nnc2n1CCOCC2	EMOLS-id_318542027,MCULE-2435800114	327.209	CBJNVYTVFKUMGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056837
Clc1cccc(c1Cl)CNCc1nnc2n1CCOCC2	MCULE-9453326424,EMOLS-id_318627045	327.209	CJQVRVLPCGBOBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056838
Clc1ccc(c(c1)CNCc1nnc2n1CCOCC2)Cl	MCULE-2151918333,EMOLS-id_318446384	327.209	SNEHRCGSLFAFSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056839
Clc1cccc(c1CNCc1nnc2n1CCOCC2)Cl	MCULE-9417526881,EMOLS-id_318550824	327.209	CMTFPVYMUJNIFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056840
Clc1cc(CNCc2nnc3n2CCOCC3)cc(c1)Cl	MCULE-3628236439,EMOLS-id_318713435	327.209	SCJKFRJSOGAJIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056841
Clc1cc(CNCc2nnc3n2CCOCC3)ccc1Cl	MCULE-4945640939,EMOLS-id_318593442	327.209	LVSFZIBPVGCOQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056842
BrCCCCCn1c2c(C(=O)CCN(C2=O)C)cc1	SCHEMBL6989751,PC-id_20085236	327.217	OWURVBSMPWMYCM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056843
O=C(C1(C)CC1Br)NCc1nnc2n1CCCCC2	EMOLS-id_278719989	327.22	RJZZCNIOLWGRGW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-056844
Brc1ccoc1C(c1cc2c(s1)CCCCC2)O	PC-id_115800596	327.237	WLXIXEWEXBUNFN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-056845
BrCCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_112683046,EMOLS-id_314757047	327.24	BIGRZRSRPGHUGQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056846
Br[C@H](C(=O)Nc1sc2CCCCCc2c1C#N)C	CoCoCo_5973297,PC-id_7909368	327.24	LCRZIZMKFNTOQD-QMMMGPOBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056847
Br[C@@H](C(=O)Nc1sc2CCCCCc2c1C#N)C	GD-id_ZINC06183406,PC-id_7909442,CoCoCo_5973296	327.24	LCRZIZMKFNTOQD-MRVPVSSYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056848
c1(NC(=O)C(C)Br)sc2c(CCCCC2)c1C#N	EMOLS-id_8311717,PC-id_4214015,MCULE-3848009789	327.24	LCRZIZMKFNTOQD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056849
CN=C/C(=C/1NCCCc2c1cc(s2)C(=O)C)/Br	PC-id_145417919	327.24	LZZXHTSDQAOZEW-BBNSPUEOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-056850
CC1CN(Cc2c(C1)[nH]nc2)Cc1ncsc1Br	MCULE-1451435062,EMOLS-id_319858095	327.243	HNWIJNWEFAEASH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056851
CCC(C)(C)C1CCC2=C(C(CC1)(F)F)N=NN2C(C)(C)CC	PC-id_160648857	327.249	HJQCNFAICNDJPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056852
Brc1n2CCCN(C(CCC)CCC)C(=O)c2cc1	PC-id_67218385,SCHEMBL1938341	327.26	WJQWSILSYWLFBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056853
Clc1cccc(c1Cl)C(c1cc2c(s1)CCCCC2)O	PC-id_115793055	327.269	NIABHMJOGUXHRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056854
Clc1cc(C(O)c2sc3c(CCCCC3)c2)ccc1Cl	PC-id_63426848	327.269	OWUKFXATSAAWOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056855
Clc1c(C(O)c2sc3c(CCCCC3)c2)ccc(Cl)c1	PC-id_63427289	327.269	SACBEEKGQBFFMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056856
Clc1c(C(O)c2sc3c(CCCCC3)c2)cc(Cl)cc1	PC-id_63426515	327.269	RJLSITJRTICHFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056857
O=CC1=CC(=O)Oc2c(OC1=O)ccn2Nc1ccnc(c1)CC	PC-id_140350120	327.292	PGTFPTNTPCJWHR-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-056858
O=C(ON1C(=O)c2ccccc2C1=O)C1CCc2nnnn2CC1	MCULE-5873723018,EMOLS-id_316780956	327.295	BOHWLDCNMZSFRO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056859
FC(F)(F)Oc1ccc(OC2CCN(Cc3occc23)C)cc1	PC-id_68424409	327.298	LGATZZPQGBXCET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056860
FC(F)(F)Oc1cc(OC2CCN(Cc3occc23)C)ccc1	PC-id_68413139	327.298	SJVRRLBDWCXTAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056861
FC(F)(F)Oc1c(OC2CCN(Cc3occc23)C)cccc1	PC-id_68700556	327.298	VKJQLQQHQHTHHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056862
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(oc1C(F)(F)F)C	EMOLS-id_318841295	327.302	DERCRHVZMXHNJI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056863
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)occ1C(F)(F)F	EMOLS-id_319363293	327.302	BOTXOKNAMAZXLJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056864
CC(N(C(=O)Cn1c(=O)nc2-c1ccccc2)CC(F)(F)F)C	EMOLS-id_319219555	327.302	IVQVGZSRAYHWMM-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-056865
O=C(N1CCCc2c(C1)cco2)Cc1ccn(n1)CC(F)(F)F	MCULE-1220534772,EMOLS-id_320007938	327.302	VQIPXNUQCIFGPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056866
BrC(c1sc2CCCCCc2c1)c1sccc1	PC-id_55199525	327.303	OLHKBEYSJJHMDB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-056867
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)[nH]nc1C(F)(F)F	EMOLS-id_319348641	327.305	WOMVIJSZMZDXII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056868
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnn1CC(F)(F)F	EMOLS-id_319673894	327.305	WLMWNUXTZHRLRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056869
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn(n1)CC(F)(F)F	EMOLS-id_319822422	327.305	IIJGATABCYDOGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056870
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(nn1C)C(F)(F)F	EMOLS-id_320015373,MCULE-5491097541	327.305	MSRZEHZJGXRTKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056871
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1)CC(F)(F)F	EMOLS-id_320043867,MCULE-4918324402	327.305	NERHLCRAIVGNSK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056872
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1C(F)(F)F)C	EMOLS-id_318795494	327.305	LONWITLIEMWLMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056873
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]nc(c1C)C(F)(F)F	MCULE-9527828086,EMOLS-id_319883497	327.305	ZVSVVSUJCWKQFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056874
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1n[nH]c(c1C(F)(F)F)C	EMOLS-id_318968612	327.305	WRBZIJPDIFBDAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056875
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ccc(n1)C(F)(F)F	EMOLS-id_320095200,MCULE-3625468647	327.305	VFWYAISSTPPQSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056876
FC(Oc1cccc(c1)CNC1CCn2c(CC1)nnn2)(F)F	EMOLS-id_318004747,MCULE-5511163919	327.305	MSUYKTSERCBZCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056877
FC(Oc1ccccc1CNC1CCn2c(CC1)nnn2)(F)F	EMOLS-id_318293078,MCULE-2220860512	327.305	WUOVTVSRYWQBIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056878
FC(Oc1ccc(cc1)CNC1CCn2c(CC1)nnn2)(F)F	MCULE-6329773428,EMOLS-id_317991212	327.305	NJJSCPCTEKATEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056879
O=C(c1cnc2n1CCCCC2)NCc1n[nH]c(c1)C(F)(F)F	EMOLS-id_319036064	327.305	XGTJMNCONLYEFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056880
O=C(c1ncn(c1)CC(F)(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_319863616	327.305	OANVWEQPQNTSQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056881
O=C(c1n[nH]c2c1CCCCC2)NCc1n[nH]c(c1)C(F)(F)F	EMOLS-id_319131967	327.305	GOPLGLMPFLYTDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056882
O=C(c1n[nH]c(c1C(F)(F)F)C)N1CCCc2c(C1)cnn2C	EMOLS-id_278918411	327.305	PFUJQKPGFGGJEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056883
Cn1c2c(CNC(CO2)CCS(=O)(=O)C)c(n1)C(F)(F)F	EMOLS-id_316183154,PC-id_136589776	327.323	BGVOENWJMURIAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056884
O=C(c1noc2c1CCCCC2)N1CCc2c1cc(cc2)[N+](=O)[O-]	EMOLS-id_111824578	327.335	MVLVISSCWPEPSE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056885
O=C(c1noc2c1CCCCC2)N1CCc2c1ccc(c2)[N+](=O)[O-]	EMOLS-id_111946058	327.335	WMFUSMMJUMCECZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056886
O=C(N1CCc2c1cccc2[N+](=O)[O-])c1noc2c1CCCCC2	EMOLS-id_111931069	327.335	SYTNTMXICIQLBM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056887
CNc1nc(=O)c2c(c(=O)[nH]1)ncn2CCOCc1ccccc1	CoCoCo_1483027	327.338	UQYQVCKREKOMAC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-056888
COc1cc2c(cc1)cc([nH]2)C(=O)N1CCc2n[nH]c(=O)n2CC1	EMOLS-id_50589905,MCULE-9985969606,PC-id_91922365	327.338	FFXAVCGVUDHEQU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056889
COc1ccc2[nH]c(cc2c1)C(=O)N1CCc2n[nH]c(=O)n2CC1	MCULE-2749830963,EMOLS-id_50589907,PC-id_91910593	327.338	VYNJSYADVPDUGX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-056890
O=C(C1CCn2c(CC1)nnc2)Nc1ccc2c(c1)n(C)c(=O)o2	EMOLS-id_316646242	327.338	ZSMILPQZIRQFOB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056891
O=C(NC1CN(c2ccncn2)C1)c1cc2c(o1)CCCNC2=O	ZINC22_2325878450	327.338	PVVPMTXQNKCIJS-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-056892
c12C(CCCCn1nnn2)C(=O)NCc1ccc2c(c1)[nH]c(=O)[nH]2	EMOLS-id_232899483,MCULE-5659053477	327.341	VUQSDQOWGDWEOV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056893
c12nnnn1CCCCC2C(=O)N(C)Cc1ccc2c(non2)c1	PC-id_74236121,MCULE-4923977933,EMOLS-id_49651206	327.341	AHBRBMKLZGEMQJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056894
C1CC1c1cc(n[nH]1)C(=O)N1CCc2nn(c(=O)n2CC1)CC#N	PC-id_91922553,EMOLS-id_50590159,MCULE-8121837497	327.341	MIDJPQJLPMWCMW-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-056895
c1(C(=O)N2CCCn3nc(CO)cc3C2)nnc2nc(C)ccn12	EMOLS-id_55673605,MCULE-3279976202,PC-id_91784751	327.341	NWUWYZUEVHJIRU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056896
Cc1cc(C(=O)N2CCc3ncc(Cn4cncn4)n3CC2)no1	ZINC22_96196999,PC-id_97467143,EMOLS-id_44328933	327.341	AFJNUEKXODFIMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056897
Cc1nc2onc(c2c(c1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102166435	327.341	PKGBHVOPTWWPLI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056898
Cn1nnc(c1)c1onc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318957893	327.341	QPXFROHXYUXPIO-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-056899
CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CCCCn2nnnc12	PC-id_97897906,ZINC22_97492400	327.341	AHBRBMKLZGEMQJ-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056900
CN(Cc1ccc2nonc2c1)C(=O)[C@H]1CCCCn2nnnc12	PC-id_97897907,ZINC22_97492401	327.341	AHBRBMKLZGEMQJ-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-056901
N#Cc1cc(NCc2nnc3n2CCCCC3)cc(N)c1[N+](=O)[O-]	EMOLS-id_53835072,ZINC22_225816150,MCULE-7474972903,PC-id_100758870	327.341	UBGJOQQXVMNEHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056902
O=C(c1ccco1)N1CCCn2c(C1)c(nn2)Cn1nncc1C	PC-id_97519647	327.341	IFPRHFQROHJNOZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056903
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnc2n(c1)ccn2	EMOLS-id_316722325	327.341	ZARKGKIZLHENAQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056904
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnc2n(c1)ncc2	EMOLS-id_319972768,MCULE-1835751769	327.341	WGPKGJMVCKWEGZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056905
O=C(Nc1ccc2c(c1)nc(o2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102005367	327.341	CNLNIVGUPBGPHU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056906
O=C(Nc1ccc2c(c1)oc(n2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102003252	327.341	OZTVJJHTPPKFTP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056907
O=C(NCc1ccc2nc(O)[nH]c2c1)[C@H]1CCCCn2nnnc12	ZINC22_827731965	327.341	VUQSDQOWGDWEOV-JTQLQIEISA-N	00000000100000100101000001000010000000000000000000000000	31-01-056908
O=C(NCc1ccc2nc(O)[nH]c2c1)[C@@H]1CCCCn2nnnc12	ZINC22_827731966	327.341	VUQSDQOWGDWEOV-SNVBAGLBSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056909
Cc1cnnn1Cc1nnn2c1CN(C(=O)c1cc[nH]n1)CCC2	EMOLS-id_313730522,ZINC22_1565555415	327.344	HOJLXLFATVCCFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056910
Cc1nc(C(=O)N2Cc3c[nH]nc3C[C@@H](C)C2)nn1c1nc[nH]n1	ZINC22_1645213988	327.344	ANVMXGLSZRNFDZ-MRVPVSSYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-056911
Cc1nc(C(=O)N2Cc3c[nH]nc3C[C@H](C)C2)nn1c1nc[nH]n1	ZINC22_1645213989	327.344	ANVMXGLSZRNFDZ-QMMMGPOBSA-N	00000000100000000101100000000010000000000000000000000000	31-01-056912
Fc1cc(C)c(cc1S(=O)(=O)N1CCCc2c(C1)cco2)F	EMOLS-id_99304439	327.346	ZWXZBNILNKUOCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056913
Fc1cc(F)c(cc1S(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99307463	327.346	BGOIGDASBSBIBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056914
Cn1ncc2c1CC(C)(C)CN(Cc1c[nH]nc1C(F)(F)F)C2	ZINC22_2325778952	327.348	XDFQZMUPRGYSJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056915
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(c(c1)F)F	EMOLS-id_319694506	327.35	KOVQVOAPUSWHFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056916
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(cc1F)F	MCULE-3737537251,EMOLS-id_320304137	327.35	OGUKHRBIADYKRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056917
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1c(F)cccc1F	EMOLS-id_319363551	327.35	UVFLPCOZDFWUAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056918
Fc1ccc(cc1F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945889	327.35	BVFHGSNUJYHPNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056919
Fc1ccc(c(c1)F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945979	327.35	RLEWPZHYWUBZBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056920
Fc1cccc(c1F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948400	327.35	ZLRVVNSVNUDNEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056921
Fc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101946003	327.35	GPFUCEYRBRTTSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056922
Fc1cccc(c1S(=O)(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101946027	327.35	BKPVQDVQQGUYPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056923
Fc1cc(F)cc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946060	327.35	XDNBMNFKQVHWDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056924
O=S(=O)(Cc1ccc(F)cc1F)c1nnc2n1CCCCC2	ZINC22_176453110,PC-id_136513596,MCULE-8393864398,EMOLS-id_316916812	327.35	NZBIARPJDPHALF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056925
O=S(=O)(Cc1nnc2n1CCCCC2)c1cc(F)ccc1F	ZINC22_278732564,EMOLS-id_99105247,MCULE-4565282164	327.35	LKYMTOANHCXEOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056926
CC1(Cc2c(CN(C1)C(=O)c1c3ccoc3c(cc1)F)cn[nH]2)C	PC-id_136565589	327.353	IUGHWPWDLPNBCN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056927
Cc1cc(c2noc(CN3CCCc4occc4C3)n2)ccc1F	MCULE-2897525753,ZINC22_329591907,EMOLS-id_99343099	327.353	ZBXWIXCMBVKZNW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-056928
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1oc2c(c1)c(C)ccc2F	EMOLS-id_318870519	327.353	KHXVTLACGAQPAA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056929
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1oc2c(c1C)cc(cc2)F	EMOLS-id_319986601,MCULE-1525464213	327.353	ZABWGEAAKXFARM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056930
Fc1ccc2c(c1)c(C)c(o2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101668276	327.353	ZOMLKGQRRYXCRC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056931
Fc1cccc(Cc2noc(CN3CCCc4occc4C3)n2)c1	ZINC22_288705979,EMOLS-id_177244176,MCULE-8997861019	327.353	DYJSLQXADOAODS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056932
CC1CN(Cc2nnc(o2)c2cccc(c2)F)Cc2c(C1)[nH]nc2	MCULE-7743418380,EMOLS-id_320257461	327.356	MPSMYMHBFFBTPQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-056933
CC1CN(Cc2onc(n2)c2ccccc2F)Cc2c(C1)[nH]nc2	MCULE-9656541888,EMOLS-id_320016849	327.356	QADYDTKUBOPNMX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-056934
Fc1ccc2c(c1CNC(=O)c1cnc3n1CCCCC3)nc[nH]2	EMOLS-id_318968781	327.356	LVXUFLKUWXTELY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056935
Fc1cccc2c1nc([nH]2)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_319608380	327.356	PHABIOHYHKLVPJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056936
N#Cc1ccc(cc1F)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101708705	327.356	VQEWUZCBLPQEAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056937
N#Cc1ccc(c(c1)NC(=O)N1Cc2cn[nH]c2CC(C1)(C)C)F	MCULE-6426706804,EMOLS-id_319898386	327.356	URVLINLRBCDUQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056938
N#Cc1cc(C(=O)NCCc2nnc3n2CCCCC3)ccc1F	ZINC22_278790462,MCULE-3406419787,PC-id_139006148,EMOLS-id_320353328	327.356	YKOSMKOZFIKUPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056939
O=C(c1ccc2c(c1F)nc[nH]2)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-3015382337,EMOLS-id_258024890	327.356	BDMZBKGPWDFBAQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056940
O=C(c1n[nH]c2c1CCCCC2)NCc1c(F)ccc2c1nc[nH]2	MCULE-5255206676,EMOLS-id_320312904	327.356	ACDLBTTVAVKHKW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056941
O=C(c1n[nH]c2c1CCCCC2)NCc1[nH]c2c(n1)c(F)ccc2	MCULE-7131102864,EMOLS-id_320056683	327.356	ROEFGQKNSUPUQP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056942
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc2ccccc2o1	PC-id_90625414	327.358	DJKBBZSRPAQVLQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056943
Cc1ccc(cc1CCCn1cnc2c1NC=NCC2O)C(=O)[O-]	PC-id_91931326,BindingDB_PC-id_91931326	327.358	VAGKEGDTQGQMIL-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-056944
Cc1ncn(n1)c1ccc(cc1F)Nc1nc2n(n1)CCCCC2	PC-id_70876543,SCHEMBL13285372	327.359	SBSMZSNMOIBRSU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-056945
Cc1noc(C)c1S(=O)(=O)N1CCc2nn(C)c(=O)n2CC1	PC-id_91910645,EMOLS-id_49731349,MCULE-6000309527	327.359	MMESCPJZGZVQLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056946
c12C(=O)NCCCc1nc(NC(=O)c1ccc3[nH]cnc3c1)s2	PC-id_72719967,MCULE-1646644928,ZINC22_96124380,EMOLS-id_48619014	327.361	ISIFTSQXTQLNOZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056947
s1c2c(C(Oc3ccc(cc3)C(F)(F)F)CCN(C2)C)cc1	PC-id_68425773	327.365	FTXTXSDSTOEBIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056948
s1c2c(C(Oc3ccc(cc3)C(F)(F)F)CN(CC2)C)cc1	PC-id_68411820	327.365	DMYYPMMMYSEQJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056949
CC1(C)Cc2n[nH]cc2CN(C(=O)C[C@H]2CCC(F)(F)CO2)C1	ZINC22_2325792719	327.37	HUGDXFBGURTLNR-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056950
CC1(C)Cc2n[nH]cc2CN(C(=O)C[C@@H]2CCC(F)(F)CO2)C1	ZINC22_2325792720	327.37	HUGDXFBGURTLNR-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056951
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCOCC1)C(F)(F)C	EMOLS-id_319750130	327.37	JGUSANBBPQUOTE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056952
COC1(CCC(CC1)(F)F)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319960672,MCULE-8581847610	327.37	QDXAFKPJTLNJBF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056953
O=C(c1noc2c1CCCCC2)N1CCN(CC1)CC(F)(F)C	EMOLS-id_319718520	327.37	UGCANXGVWWPPRN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056954
FC(CN1CCC(C1)NC(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101976598	327.373	DRAQXOFDLOHXHA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-056955
O=C(NCCc1nnc2n1CCCCC2)N1CCCC(F)(F)C1	ZINC22_650602420,EMOLS-id_320344428,PC-id_139014232,MCULE-1061686277	327.373	XYKVWMOWWJQVMK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-056956
CCOc1ccc(cc1)C(=O)c1ccc2n1CCCCC2C(=O)O	PC-id_20483879,SCHEMBL11199233	327.374	QXTNHNNENIAYBE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056957
COc1ccccc1C(=O)c1c(C)cc2n1CCCCC2C(=O)O	PC-id_20483769,SCHEMBL11199954	327.374	DJGXVFXYUSRMBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056958
COc1ccc(cc1)C(=O)c1c(C)cc2n1CCCCC2C(=O)O	PC-id_20484236,SCHEMBL11201005	327.374	XDMMZYAOZLWPBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056959
COC(=O)C1CCCCn2c1ccc2C(=O)c1ccccc1OC	PC-id_20484246,SCHEMBL11200189	327.374	VPRCNGZKQWQIFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056960
COC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(cc1)OC	SCHEMBL11193684,PC-id_20484025	327.374	YWRVIIDUGHECPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056961
O1Cc2n(nc(n2)COCCOCCOCCOCC1)CC=C	PC-id_21792763	327.376	XAOMLQCLNVEWLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-056962
OC(=O)c1ccc(o1)S(=O)(=O)N1CCCc2c(C1)ccs2	MCULE-6995427734,EMOLS-id_318725365	327.376	OTBSSDGRHZGCBA-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-056963
OC(=O)c1ccc(s1)S(=O)(=O)N1CCCc2c(C1)cco2	MCULE-7312466946,EMOLS-id_318717955	327.376	ADOIHQJGZRZGIL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-056964
OC(=O)c1coc(c1)S(=O)(=O)N1CCCc2c(C1)ccs2	MCULE-7823760029,EMOLS-id_318326223	327.376	MHBYBFHAFKCXLT-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-056965
OC(=O)c1csc(c1)S(=O)(=O)N1CCCc2c(C1)cco2	MCULE-9503594597,EMOLS-id_318694418	327.376	VYFHISYAGLCILZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-056966
OC(=O)c1scc(c1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_318461853,MCULE-4155768151	327.376	UQDAECFCLFLVEX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-056967
c12CN(CCCc1n(nc2)C)C(=O)CCc1ccc2c(OCO2)c1	ZINC22_19289631,PC-id_92566445,EMOLS-id_368188,MCULE-5569064790,AOP-19423357	327.378	HYZQYQDWXQWDAL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056968
c12cncn1CCCN(C(=O)COc1ccc(cc1)C(=O)CC)C2	ZINC22_72167123,PC-id_56912741,EMOLS-id_43167612,MCULE-2855475244	327.378	VKRYMQIDWCICTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056969
c1(C(O)C2CC2)cc2n(CCCN(C(=O)c3ccc(cc3)O)C2)n1	MCULE-2978983865,PC-id_91771226,EMOLS-id_55634568	327.378	VSPKHVHIQBFQHJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-056970
c1coc(COCc2ncn3c2CN(Cc2ccco2)CCC3)c1	ZINC22_96059031,PC-id_97381684,EMOLS-id_46148353	327.378	NYLRZLHPHPKVGR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056971
c1coc(COCc2ncn3c2CN(Cc2ccoc2)CCC3)c1	ZINC22_96059032,EMOLS-id_46148355,PC-id_97381685	327.378	RENJFBVLOJPKTN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-056972
c1(C(=O)Nc2ccc(cc2)CC(=O)OC)c2CCCCCc2[nH]n1	MCULE-7574740363,EMOLS-id_335083591	327.378	NNMFEVPOEWGVEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056973
c1(C(=O)Nc2ccccc2C(=O)OCC)c2CCCCCc2[nH]n1	EMOLS-id_335049305,MCULE-3941220234	327.378	HJOVHJITQRTGNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056974
c1(C(=O)OC)cc2n(CCCN(Cc3ccc4c(CCO4)c3)C2)n1	PC-id_56743223,EMOLS-id_36576074,MCULE-7621935131,ZINC22_67675417	327.378	UUSRCOZRUGSSIX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056975
CC1=Cc2c(CC=C1NC(=O)OC(C)(C)C)[nH]c(c2)C(=O)CC#N	PC-id_134448922,SCHEMBL20084586	327.378	YNYSLVWOLLTEMJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-056976
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1cccc2c1OCO2	EMOLS-id_319844283,MCULE-9467802599	327.378	JCHDXUMJRLVZPH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056977
CC(c1cc2c(cc1)OCO2)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_316941569,MCULE-8838318421,PC-id_136554197	327.378	LILNJIVHBUBYJY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056978
CC(c1ccccc1)(C(=O)O)NC(=O)c1cnc2n1CCCCC2	PC-id_136554325,EMOLS-id_316947979,MCULE-6791236420	327.378	DCXFFXGCPJQXJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056979
CC(C1N(CCCn2c1ncc2)C(=O)c1ccc2c(c1)OCO2)C	MCULE-5130210605,EMOLS-id_97007933	327.378	YFNZOMUCHHIHJN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-056980
CCCCN(c1cnccc1)C(=O)c1coc2c1C(=O)NCCC2	EMOLS-id_316983027,MCULE-8253489687,PC-id_136570575	327.378	VKBVKZGDAUTTAP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-056981
C[C@H](CNc1ccccc1)NC(=O)c1coc2c1C(=O)NCCC2	ZINC22_896420105	327.378	VFWDOYDZKBRQBT-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056982
C[C@@H](CNc1ccccc1)NC(=O)c1coc2c1C(=O)NCCC2	ZINC22_896420106	327.378	VFWDOYDZKBRQBT-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056983
CCN(C(=O)c1cnc2n1CCCCC2)c1cccc(c1)C(=O)O	MCULE-2965841984,EMOLS-id_318781953	327.378	YZGNPGGDIBYUHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056984
C[C@](NC(=O)c1cnc2n1CCCCC2)(C(=O)O)c1ccccc1	ZINC22_621707948	327.378	DCXFFXGCPJQXJE-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056985
C[C@@](NC(=O)c1cnc2n1CCCCC2)(C(=O)O)c1ccccc1	ZINC22_621707949	327.378	DCXFFXGCPJQXJE-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056986
CC(NC(=O)c1coc2c1C(=O)NCCC2)CNc1ccccc1	MCULE-1724484288,EMOLS-id_316293505	327.378	VFWDOYDZKBRQBT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056987
CCOC(=O)c1cccc(NC(=O)c2n[nH]c3CCCCCc23)c1	MCULE-7069189042,EMOLS-id_335036760	327.378	LIWPZSRNCFWGBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056988
CCOC(=O)c1ccc(NC(=O)c2c3c(CCCCC3)[nH]n2)cc1	MCULE-6115781387,EMOLS-id_323250360	327.378	SRDBYWQYXQYQHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056989
CNC(=O)Cc1cccc(OC(=O)c2n[nH]c3c2CCCCC3)c1	EMOLS-id_50358539,PC-id_91652122,MCULE-8160992602,ZINC22_170608624	327.378	PEGOKLSIIQRPDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056990
COc1cccc(c1)CCC(=O)NC1CCNC(=O)c2c1cc[nH]2	PC-id_117077799	327.378	PMJGEKUGAPVEMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-056991
COC(=O)c1ccccc1NC(=O)Cn1cc2c(n1)CCCCC2	PC-id_20892440,CoCoCo_2192270	327.378	PQQJYEBBPNVWMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056992
COC(=O)c1ccc(CNC(=O)c2c3c(CCCCC3)[nH]n2)cc1	EMOLS-id_323254712,MCULE-1359604563	327.378	RCRAMORJUGCYQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056993
n1c(C(CO)O)cc2CN(CCCn12)C(=O)C=Cc1ccccc1	MCULE-2940768831,PC-id_91773199	327.378	PXYFOCJGYNOZSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-056994
n1n2CCCN(Cc3cc4c(cccc4)o3)Cc2cc1C(CO)O	EMOLS-id_50528651,PC-id_90648109,MCULE-7763614203	327.378	MTPDJNOIHSBJSS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-056995
O=C(c1ccc(O)cc1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_219493503,PC-id_100042105	327.378	VSPKHVHIQBFQHJ-KRWDZBQOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-056996
O=C(c1ccc(O)cc1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_219493578,PC-id_100042107	327.378	VSPKHVHIQBFQHJ-QGZVFWFLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-056997
O=C(C1CCOC1)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55752113	327.378	CUOLQARVEUCYHC-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-056998
O=C(c1oc2c(c1C)C(=O)CCC2)N1CCCc2c(C1)cnn2C	EMOLS-id_101670055	327.378	AGXFCGOCPROKCU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-056999
O=C(C(c1ccc2c(c1)OCO2)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101678309	327.378	DMKVIKDZMWZFQW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057000
O=C([C@@H]1CCOC1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575404464	327.378	CUOLQARVEUCYHC-GDBMZVCRSA-N	00000010100000101101000000000010000000000000000000000000	31-01-057001
O=C([C@H]1CCOC1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575404470	327.378	CUOLQARVEUCYHC-GOEBONIOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-057002
O=C([C@H]1CCOC1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575404471	327.378	CUOLQARVEUCYHC-HOCLYGCPSA-N	00000010100000101101000000000010000000000000000000000000	31-01-057003
O=C([C@@H]1CCOC1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575404472	327.378	CUOLQARVEUCYHC-ZBFHGGJFSA-N	00000010100000101101000000000010000000000000000000000000	31-01-057004
OC[C@H](c1nn2c(c1)CN(CCC2)Cc1cc2c(o1)cccc2)O	PC-id_100025883	327.378	MTPDJNOIHSBJSS-QGZVFWFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057005
OC[C@@H](c1nn2c(c1)CN(CCC2)Cc1cc2c(o1)cccc2)O	PC-id_100025886	327.378	MTPDJNOIHSBJSS-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057006
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)/C=C/c1ccccc1)O	PC-id_99974055	327.378	PXYFOCJGYNOZSY-OZSKJFCKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057007
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)/C=C/c1ccccc1)O	PC-id_99974056	327.378	PXYFOCJGYNOZSY-IWAYRVGRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057008
OCC(O)c1cc2CN(CCCn2n1)C(=O)/C=C/c1ccccc1	EMOLS-id_55640114	327.378	PXYFOCJGYNOZSY-BQYQJAHWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057009
O=C(N1CCCn2nc(cc2C1)C(=O)OC)c1c(ccc(c1)C)C	PC-id_50985569	327.378	PXIIGUDLVMYACZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057010
O=C(Nc1cccc(c1)C)NCC(=O)N1CCCc2c(C1)cco2	EMOLS-id_99328771	327.378	RTRRZHWAZVHLDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057011
OC(=O)c1ccc(cc1)CN(C(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318670414,MCULE-6156712671	327.378	NBKGONWQBYLXKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057012
OC(=O)Cc1cccc(c1)N(C(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318658701,MCULE-5312667407	327.378	AYAVDWAOLRLODK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057013
OC(=O)C(N(C(=O)c1cnc2n1CCCCC2)C)c1ccccc1	EMOLS-id_318668747,MCULE-3738329327	327.378	ABMWMNDSMNNKOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057014
O=S(=O)(Cc1cnn(CCF)c1)c1nnc2n1CCCCC2	PC-id_146140823,ZINC22_899466376	327.378	XRMBNPKCBYDUMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057015
c12CN(CCCn1nc(CNc1ccc(cn1)C(=O)C)c2)C(=O)C	EMOLS-id_44435855,MCULE-4963931618,PC-id_70739823,ZINC22_82109400	327.381	WBKPSQSBVFZXSN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057016
c12nnnn1CCCCC2C(=O)N1CC(C1)Oc1cccc(C)c1	EMOLS-id_316260665,MCULE-6606633778	327.381	HUBNPFFKOOBBGW-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-057017
c1(c2ccco2)oc(nn1)CN(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_55615735,MCULE-2936725930,ZINC22_252505769,PC-id_91830333	327.381	VTPOFJXWYGZBFM-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-057018
c1(cn2c(CCNCC2)n1)C(=O)N1CCOC(c2ccccn2)C1	MCULE-9652547600,EMOLS-id_330456352	327.381	DBERTQQSBPTRLS-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-057019
c1(C(=O)N2CCOC(c3cccnc3)C2)nnc2CCCCCn12	PC-id_90652246,MCULE-4866099847,EMOLS-id_50543969	327.381	WZGXWGOEQJFYSW-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-057020
c1(C(=O)N(C)Cc2cccnc2)cc2n(CCCN(C(=O)C)C2)n1	PC-id_56711663,ZINC22_67872667,MCULE-7539078922,EMOLS-id_36443350	327.381	KBERSKLEDBMHDW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057021
c1(C(=O)NCCNC(=O)c2ccccn2)c2CCCCCc2n[nH]1	CoCoCo_477756,MCULE-8031041802,PC-id_46964498,ZINC22_12147438,SYN-15670302,CoCoCo_477757,EMOLS-id_30430373	327.381	WXKXCVKHJVDCHF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057022
Cc1cccc(OC2CN(C(=O)[C@H]3CCCCn4nnnc34)C2)c1	ZINC22_1506413134	327.381	HUBNPFFKOOBBGW-HNNXBMFYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-057023
Cc1cccc(OC2CN(C(=O)[C@@H]3CCCCn4nnnc34)C2)c1	ZINC22_1506413144	327.381	HUBNPFFKOOBBGW-OAHLLOKOSA-N	00001000100000110101000000000010000000000000000000000000	31-01-057024
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1)C(=O)N(C)C	EMOLS-id_318934611	327.381	SCXHXKZDFGHJND-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057025
Cc1cnc(cn1)C(=O)N1CC(COCC=C)Cn2ccnc2C1	EMOLS-id_44325875	327.381	VVBBLSOBHQYKRC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057026
Cc1cnc(cn1)C(=O)N1CC(COCC=C)Cn2nccc2C1	EMOLS-id_44326951	327.381	JOFJUCVUDSSVJU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057027
CC1Oc2c(C1)cc(cc2)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320117812,MCULE-7089761299	327.381	KZFXVWDEDHUCJS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057028
C=CCOC[C@H]1CN(C(=O)c2cnc(C)cn2)Cc2ccnn2C1	PC-id_97463442,ZINC22_96189023	327.381	JOFJUCVUDSSVJU-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057029
C=CCOC[C@@H]1CN(C(=O)c2cnc(C)cn2)Cc2ccnn2C1	ZINC22_96189022,PC-id_97463441	327.381	JOFJUCVUDSSVJU-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057030
C=CCOC[C@@H]1CN(C(=O)c2cnc(C)cn2)Cc2nccn2C1	PC-id_97462293,ZINC22_96187842	327.381	VVBBLSOBHQYKRC-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057031
C=CCOC[C@H]1CN(C(=O)c2cnc(C)cn2)Cc2nccn2C1	ZINC22_96187843,PC-id_97462294	327.381	VVBBLSOBHQYKRC-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057032
CC(C(=O)Nc1ccccc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316640091	327.381	HMLLRISCIACJAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057033
CCNC(=O)c1ccccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319083872	327.381	MJWXLZJDVWFSNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057034
CCNC(=O)c1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-6781604206,EMOLS-id_320222343	327.381	RGPCZDVFONIHAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057035
CC(=O)Nc1ccc(cc1NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316501901	327.381	XXMWFVCXLVGTEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057036
CC(=O)Nc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1	MCULE-1722220759,EMOLS-id_13481614,ZINC22_14139967,PC-id_17452676,CoCoCo_4561650	327.381	GYJNJCKFIBCBJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057037
CC(=O)Nc1cnccc1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319235086	327.381	XNZLVDMGXJWFJK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057038
Cn1c(=O)n2CCN(CCc2n1)Cc1c[nH]c2c1cc(cc2)OC	PC-id_91922411,MCULE-3091742305,EMOLS-id_50585909	327.381	ADPKWRTZAYTMFU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-057039
Cn1ncc(c1C)CNC(=O)n1c(=O)n(c2=C(C)C=CCC=c12)C	PC-id_143641920	327.381	RQZLKCNTGXAUCY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-057040
COc1ccc2c(c1)C(CC2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102177974	327.381	BDJFERZHTXVEMA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057041
COCCn1nc2CCN(Cc3cccc(c3)C#N)CCn2c1=O	EMOLS-id_50586595,MCULE-7237082162,PC-id_91910663	327.381	LECQQTQGYVJMDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057042
n12CCC(CCc1nn(CC(=O)N1CCc3ccccc13)c2=O)N	EMOLS-id_50590554,MCULE-3828872402,PC-id_91910887	327.381	OXJQHAGZQOHWIG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057043
n1n2CCCNC(=O)[C@@H](NC(=O)CCc(c2)n1)Cc1ccccc1	MCULE-5535767457,ZINC22_952863187,EMOLS-id_289995951	327.381	CEFHMFLNDSMWFV-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057044
n1n2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)CCCc(c2)n1	EMOLS-id_289988451,ZINC22_952865308,MCULE-2602509622	327.381	VXJSDFAIUODIRJ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057045
N#CC1(C(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)CC1	EMOLS-id_44370378,PC-id_97519499,ZINC22_96259415	327.381	LKGFMWFKOKRUBV-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-057046
NC(=O)CN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1	EMOLS-id_319499357	327.381	FNUFTLLJLROXOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057047
o1nc(c2CCCCCc12)C(=O)N1CCN(CC1)c1ncccn1	PC-id_71451535,EMOLS-id_111823504	327.381	CJCXHUWEFDHPRY-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-057048
O=c1cc(cc([nH]1)C1CC1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_100127124	327.381	WSJSFQAHRUZELI-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-057049
O=C1CCCN1Cc1ncn2c1CN(C(=O)c1ccc[nH]1)CCC2	ZINC22_96084648,PC-id_97405471,EMOLS-id_46182317	327.381	PTSLEPPKWMMENI-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-057050
O=c1cc(CNC(=O)c2cnc3n2CCCCC3)nc([nH]1)C1CC1	EMOLS-id_319312201	327.381	FDSQUABNCLJZSX-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-057051
Oc1ccnc(n1)C1CCCN1C(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319250200	327.381	XIVZRFZNZCQUAO-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-057052
O=c1oc2ccccc2n1CCNCc1nnc2n1CCCCC2	EMOLS-id_36634236,ZINC22_69153636,MCULE-6787937245,PC-id_53500169	327.381	CNJKGTMBYMZEII-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057053
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O=C(c1cccc(c1)C1CCOC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102181035	327.381	XASUHEXFZUKENZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-057055
O=C(c1ccccn1)N1CCCn2nnc(COCC3CC3)c2C1	ZINC22_96058854,PC-id_97381511,EMOLS-id_46148005	327.381	VTMAEKADGCYQFL-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-057056
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O=C(c1ccc(cn1)NC(=O)c1n[nH]c2c1CCCCC2)N(C)C	EMOLS-id_258184527,MCULE-1648949435	327.381	ROMJKUYVFRKRPI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057058
O=C(c1cccnc1)N1CCCn2nnc(COCC3CC3)c2C1	ZINC22_96058851,PC-id_97381508,EMOLS-id_46147999	327.381	RBGXXDJHQMNVNJ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-057059
O=C(C1CCC(=O)c2n1ccc2)NCc1nnc2n1CCCCC2	EMOLS-id_99898935	327.381	PNRJTPIXRHPEFH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057060
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)C(=O)N(C)C	MCULE-7383483068,EMOLS-id_320042432	327.381	AOZFPVLGFXRMBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057061
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1C(=O)N(C)C	MCULE-8834040415,EMOLS-id_319941300	327.381	BMPZDQSQUQLDKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057062
O=C(c1ccncc1)N1CCCn2nnc(COCC3CC3)c2C1	ZINC22_96058850,PC-id_97381507,EMOLS-id_46147997	327.381	NGDSRYSVAYXQFZ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-057063
O=C(c1ccncn1)N1Cc2cncn2C[C@H](COCC2CC2)C1	PC-id_97475858,ZINC22_96207731	327.381	YYRPKHLZTFGCMF-CQSZACIVSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057064
O=C(c1ccncn1)N1Cc2cncn2C[C@@H](COCC2CC2)C1	ZINC22_96207732,PC-id_97475859	327.381	YYRPKHLZTFGCMF-AWEZNQCLSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057065
O=C(c1cc[nH]c1)N1CCCn2ncc(C(=O)N3CCCC3)c2C1	EMOLS-id_313771469,ZINC22_1565544864	327.381	AAMSVNGYHILZGR-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-057066
O=C(c1cc[nH]n1)N1CCc2ccc(C(=O)N3CCCC3)n2CC1	ZINC22_1565546762,EMOLS-id_313770447	327.381	ADFBLCAULXKOPA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057067
O=C(c1ccnnc1)N1Cc2nccn2C[C@H](COCC2CC2)C1	PC-id_97462353,ZINC22_96187904	327.381	RHRMCKRLMPWPIS-AWEZNQCLSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057068
O=C(c1ccnnc1)N1Cc2nccn2C[C@@H](COCC2CC2)C1	PC-id_97462354,ZINC22_96187905	327.381	RHRMCKRLMPWPIS-CQSZACIVSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057069
O=C(c1cn2c(n1)CCNCC2)N1CCO[C@H](c2ccccn2)C1	ZINC22_1857724794	327.381	DBERTQQSBPTRLS-HNNXBMFYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-057070
O=C(c1cn2c(n1)CCNCC2)N1CCO[C@@H](c2ccccn2)C1	ZINC22_1857724795	327.381	DBERTQQSBPTRLS-OAHLLOKOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-057071
O=C(c1cnccn1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	PC-id_97463525,ZINC22_96189110	327.381	TVWGZYUOMXSAJY-AWEZNQCLSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057072
O=C(c1cnccn1)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_96189111,PC-id_97463526	327.381	TVWGZYUOMXSAJY-CQSZACIVSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057073
O=C(c1cnccn1)N1Cc2nccn2C[C@H](COCC2CC2)C1	ZINC22_96187902,PC-id_97462351	327.381	CUHYZNXFDGAELK-AWEZNQCLSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057074
O=C(c1cnccn1)N1Cc2nccn2C[C@@H](COCC2CC2)C1	ZINC22_96187903,PC-id_97462352	327.381	CUHYZNXFDGAELK-CQSZACIVSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057075
O=C(c1cnc([nH]c1=O)C1CC1)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319647712	327.381	PMNRZDOBGAERBJ-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-057076
O=C(C1COc2c1cc(C)c(c2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102179630	327.381	OOVXOPNMBPKLOW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057077
O=C(c1nnc2n1CCCCC2)N1CCO[C@H](c2cccnc2)C1	PC-id_100066672,ZINC22_221285104	327.381	WZGXWGOEQJFYSW-AWEZNQCLSA-N	00000000100010101101100000000010000000000000000000000000	31-01-057078
O=C(c1nnc2n1CCCCC2)N1CCO[C@@H](c2cccnc2)C1	PC-id_100066673,ZINC22_221285169	327.381	WZGXWGOEQJFYSW-CQSZACIVSA-N	00000000100010101101100000000010000000000000000000000000	31-01-057079
O=C(c1noc2c1CCCCC2)N1CCN(CC1)c1nccnc1	EMOLS-id_111825700	327.381	UYMMHTOOGUUXNT-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-057080
O=C(CC1CC1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1	PC-id_97463173,ZINC22_96188742	327.381	VCMVEJXAGSTBSZ-CQSZACIVSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057081
O=C(CC1CC1)N1Cc2nccn2C[C@H](Cn2ncccc2=O)C1	ZINC22_96188743,PC-id_97463174	327.381	VCMVEJXAGSTBSZ-AWEZNQCLSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057082
O=C(CC1CC1)N1CC(Cn2ncccc2=O)Cn2ccnc2C1	PC-id_118739344,EMOLS-id_44326585	327.381	VCMVEJXAGSTBSZ-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057083
O=C([C@@H]1[C@H]2COC[C@@H]12)N1CCCn2c(Cn3cccc3)nnc2C1	ZINC22_1565546983,EMOLS-id_313732309	327.381	CXNBAMPDZIUSAX-VIKVFOODSA-N	00100010110000000101010000000010000000000000000000000000	31-01-057084
OC(CN1CCCn2c(C1)cnn2)COc1ccc2c(c1)[nH]cc2	PC-id_146139460	327.381	VBXDONBSRGEMGJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-057085
O[C@H](COc1ccc2cc[nH]c2c1)CN1CCCn2nncc2C1	ZINC22_931744931	327.381	VBXDONBSRGEMGJ-HNNXBMFYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-057086
O[C@@H](COc1ccc2cc[nH]c2c1)CN1CCCn2nncc2C1	ZINC22_931744932	327.381	VBXDONBSRGEMGJ-OAHLLOKOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-057087
O=C(N1CCc2n(CC1)c(nn2)COc1ccccn1)CC1CC1	PC-id_97405404	327.381	BKOWLWWUEJTAML-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-057088
O=C(N1CCCn2c(C1)cc(n2)N)NC1CCc2c1cccc2O	MCULE-6667168229,EMOLS-id_320246558	327.381	HZYRCCWHGHEENI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057089
O=C(N1CCCn2c(C1)cc(n2)N)NCC1COc2c1cccc2	EMOLS-id_319200645	327.381	XDDJILWXSDNCHO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057090
O=C(N1CC(COCC2CC2)Cn2ccnc2C1)c1ccnnc1	EMOLS-id_44325937	327.381	RHRMCKRLMPWPIS-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057091
O=C(N1CC(COCC2CC2)Cn2ccnc2C1)c1cnccn1	EMOLS-id_44325935	327.381	CUHYZNXFDGAELK-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057092
O=C(N1CC(COCC2CC2)Cn2cncc2C1)c1ccncn1	EMOLS-id_49230579	327.381	YYRPKHLZTFGCMF-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057093
O=C(N1CC(COCC2CC2)Cn2nccc2C1)c1cnccn1	EMOLS-id_44327043	327.381	TVWGZYUOMXSAJY-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057094
O=C(NC1CC1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	ZINC22_96188056,PC-id_97462502	327.381	BQBNOMMYPKVRAR-CYBMUJFWSA-N	00100000100000101101000000000010000000000000000000000000	31-01-057095
O=C(NC1CC1)N1Cc2nccn2C[C@H](COc2cccnc2)C1	ZINC22_96188058,PC-id_97462504	327.381	BQBNOMMYPKVRAR-ZDUSSCGKSA-N	00100000100000101101000000000010000000000000000000000000	31-01-057096
O=C(NC1CC1)N1CC(COc2cccnc2)Cn2ccnc2C1	EMOLS-id_44326015	327.381	BQBNOMMYPKVRAR-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-057097
O=C(NCC1CC1)c1ccc2CCN(CCn12)C(=O)c1cc[nH]n1	EMOLS-id_313776064,ZINC22_1565543943	327.381	GIAABEBZUJZCBI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-057098
O=C(NCc1n2CCCCCc2nn1)Nc1cc(ccc1)C(=O)C	PC-id_60446267	327.381	RWNWBNFTKJATQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057099
Cn1cc(nc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625665	327.383	AIMKAHPRGRTINF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057100
c12nnnn1CCCCC2C(=O)N1CCN(CC1)c1ccncc1	MCULE-6911751125,EMOLS-id_49662090,PC-id_74241471	327.384	NGZXVSXBSXSRKK-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-057101
Cc1cnnn1Cc1nnn2c1CN(C(=O)C13CC(C1)C3)CCC2	EMOLS-id_313729497,ZINC22_1565554960	327.384	LXZWSEZATRCSNA-UHFFFAOYSA-N	00001000100000000101001000000010000000000000000000000000	31-01-057102
Cc1onc(c1CN1CCn2c(CC1)ncc2Cn1ncnc1)C	PC-id_97467131	327.384	HQRZQVBSMVCGAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057103
CC(C)n1nccc1NC(=O)[C@@H](C#N)c1nnc2n1CCCCC2	PC-id_97253745,ZINC22_95455101	327.384	HFXOHPPEBMFWCV-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057104
CC(C)n1nccc1NC(=O)[C@H](C#N)c1nnc2n1CCCCC2	ZINC22_95455102,PC-id_97253746	327.384	HFXOHPPEBMFWCV-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057105
N#CC(c1nnc2n1CCCCC2)C(=O)c1nnn(c1)C(C)(C)C	EMOLS-id_100417109	327.384	KIGSJJQGOYKKNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057106
N#CC(c1nnc2n1CCCCC2)C(=O)Nc1ccnn1C(C)C	PC-id_75397464,MCULE-4111002936,EMOLS-id_48308636	327.384	HFXOHPPEBMFWCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057107
O=C(c1ccc(nc1)N1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102160390	327.384	ITMDSYVMGPIHJV-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-057108
O=C(c1cccnc1N1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102162682	327.384	FLRJXFICOXEPRU-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-057109
O=C(CC1CC1)N1CCCn2nnc(CNc3ncccn3)c2C1	EMOLS-id_44370554,PC-id_97519586,ZINC22_96259503	327.384	NZNYBHXOEUAZOK-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057110
O=C([C@H]1CCCCn2nnnc12)N1CCN(c2ccncc2)CC1	PC-id_97925697,ZINC22_97610182	327.384	NGZXVSXBSXSRKK-AWEZNQCLSA-N	00000000100010101101100000000010000000000000000000000000	31-01-057111
O=C([C@@H]1CCCCn2nnnc12)N1CCN(c2ccncc2)CC1	ZINC22_97610180,PC-id_97925696	327.384	NGZXVSXBSXSRKK-CQSZACIVSA-N	00000000100010101101100000000010000000000000000000000000	31-01-057112
O=C(N1CCCC1c1ccncc1)NC1CCn2c(CC1)nnn2	EMOLS-id_318995994	327.384	VLBFSNWYAVLLGJ-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-057113
O=C(Nc1ccc2c(c1)N(C)CC2)NC1CCn2c(CC1)nnn2	EMOLS-id_102014443	327.384	IQSCLOJNLLZQKT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057114
O=C(Nc1ccc(cn1)C1CCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102022738	327.384	QMAPLQJTYAUEGC-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-057115
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)Cc1ccccc1F	EMOLS-id_319987505,MCULE-8168432778	327.396	GMQIJSUJLKSWPT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-057116
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCC1)c1cccc(c1)F	EMOLS-id_318879991	327.396	RIFUYJGTPSBKIU-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-057117
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCC1)c1ccc(cc1)F	EMOLS-id_318930379	327.396	OFMVJZARRHRKIJ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-057118
CCOC(=O)N1CCc2c(CC1)sc(c2OC)C(=O)OCC	PC-id_59302561,SCHEMBL3001072	327.396	HVGDXXMKBJHYGN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057119
Fc1ccc(cc1)CC1(CC1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318130066	327.396	DVDBAZPZESOVLA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-057120
Fc1ccc(cc1)CC1(CC1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318657294	327.396	OLUICUCLVSBBKI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-057121
Fc1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318053723	327.396	IMIXLYSAWZCNSY-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-057122
Fc1ccc(cc1)N(C(=O)c1cnc2n1CCCCC2)C1CCC1	MCULE-7258738441,EMOLS-id_319900281	327.396	BJMHBZSXSHEDJH-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-057123
O=S(=O)(N1CCCc2c(C1)cco2)CC1O[C@@H]2[C@H](C1)COC2	EMOLS-id_319521969	327.396	NHFPHGBCUNHIOS-JHIQODARSA-N	00000010100000000100000000000110000000000000000000000000	31-01-057124
COc1cc(C#N)ccc1OC(=O)c1cc2c(s1)CCCCC2	MCULE-9130547872,PC-id_4858788,CoCoCo_3203030,ZINC22_6998207,EMOLS-id_3484423	327.397	VFNNAJPEDROGRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057125
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(COC1)CS(=O)(=O)C	EMOLS-id_319304834	327.399	PEVXHZBFRQSXQN-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-057126
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)N1CCOCC1	EMOLS-id_33087308,PC-id_53182931,MCULE-8647435726	327.399	XFMVYZDZZIWMMR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057127
CCn1c(CN2CC(C)Cc3c(C2)cn[nH]3)nc2c1cccc2F	EMOLS-id_319315892	327.399	BLUGKJTUXFOTEW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057128
CNC1C(=O)N(CCc2c1ocn2)CC1CCCCS1(=O)=O	PC-id_23554697,SCHEMBL14171236	327.399	OAKYCFPJJRYGHZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057129
CNC1C(=O)N(CCc2c1ocn2)CC1CCCS(=O)(=O)C1	PC-id_23554701,SCHEMBL14171246	327.399	GIJWXHIYMHFNCJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057130
CNC1C(=O)N(CCc2c1ocn2)CC1CCS(=O)(=O)CC1	SCHEMBL14171262,PC-id_23554705	327.399	NDPGPCUNYPSOTM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057131
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)N1CCOCC1	MCULE-5481896432,EMOLS-id_317418843	327.399	WXDOXCPSIUGNOT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057132
Fc1ccc(C2=CC[C@H](N[C@@H]3CCc4nnnn4CC3)CC2)cc1	ZINC22_516860786	327.399	IZHNUKBRAYTEMW-DLBZAZTESA-N	00000000100011110101100000000010000000000000000000000000	31-01-057133
Fc1ccc(C2=CC[C@@H](N[C@@H]3CCc4nnnn4CC3)CC2)cc1	ZINC22_516860787	327.399	IZHNUKBRAYTEMW-IAGOWNOFSA-N	00000000100011110101100000000010000000000000000000000000	31-01-057134
Fc1ccc(C2=CC[C@H](N[C@H]3CCc4nnnn4CC3)CC2)cc1	ZINC22_516860788	327.399	IZHNUKBRAYTEMW-IRXDYDNUSA-N	00000000100011110101100000000010000000000000000000000000	31-01-057135
Fc1ccc(C2=CC[C@@H](N[C@H]3CCc4nnnn4CC3)CC2)cc1	ZINC22_516860789	327.399	IZHNUKBRAYTEMW-SJORKVTESA-N	00000000100011110101100000000010000000000000000000000000	31-01-057136
Fc1ccc(cc1)C1=CCC(CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_318126694,MCULE-2160933429	327.399	IZHNUKBRAYTEMW-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-057137
OCc1cc2CN(CCCn2n1)C(=O)C1CCS(=O)(=O)CC1	PC-id_91792166,MCULE-1180212579,EMOLS-id_55695233	327.399	ACRBRKVEANMZBN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057138
O=C(c1cnc2n1CCCCC2)NC1(COC1)CS(=O)(=O)C	EMOLS-id_316716309	327.399	OEUGMWHBCWHVBZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-057139
O=C(C1(COC1)CS(=O)(=O)C)N1CCCc2c(C1)cnn2C	EMOLS-id_319523559	327.399	UTGHALVXSNCQON-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-057140
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)C1CCCOC1	PC-id_121569607,MCULE-9384666466,EMOLS-id_76033782	327.399	ARNKLBNCHGDOSD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057141
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)CC1CCCO1	EMOLS-id_112056995	327.399	GEOHRPFRFYYRQQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057142
O=C(c1noc2c1CCCCC2)N1CCCC1CS(=O)(=O)N	EMOLS-id_111930094	327.399	MIBMSWOTESMGNO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057143
O=C(c1noc2c1CCCCC2)N1CCCC(C1)S(=O)(=O)N	EMOLS-id_111417622	327.399	TZMVRCMETJLRFU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057144
O=C(c1noc2c1CCCCC2)N1CCN(CC1)S(=O)(=O)C	EMOLS-id_111416795	327.399	PKWMQCPTECEKKH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057145
O=C(Nc1sc2c(n1)CCCCCC2)NCC(C(=O)O)(O)C	PC-id_122092687,EMOLS-id_72881243,MCULE-7784866956	327.399	ITVJJQRLCHHSNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057146
c1(NC(=O)c2c3CCCCCc3on2)sc2c(CCC2)c1C#N	TIMTEC522502,ZINC22_426587,MCULE-3054822514,EMOLS-id_15972078,PC-id_4257441	327.401	WGMOJZCIXCQEJR-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-057147
Cc1oc2c(n1)cc(cc2)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_99987196	327.401	QZITVZRGIYXFSY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057148
COC1CN(Cc2ccnn2C1)C(=O)c1cc2ccccc2s1	EMOLS-id_50008250	327.401	KUZHIEPHKXCCEC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057149
CO[C@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccnn2C1	ZINC22_247840914	327.401	KUZHIEPHKXCCEC-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057150
CO[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccnn2C1	ZINC22_247840923	327.401	KUZHIEPHKXCCEC-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057151
CO[C@@H]1CN(C(=O)c2csc3ccccc23)Cc2ccnn2C1	ZINC22_247817642	327.401	BZAFTQYOTMMWSX-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057152
CO[C@H]1CN(C(=O)c2csc3ccccc23)Cc2ccnn2C1	ZINC22_247817643	327.401	BZAFTQYOTMMWSX-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057153
N#Cc1cccc(c1)OCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319104858	327.401	ZFVUAJMXIXVJOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057154
N#Cc1ccccc1OCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319565976	327.401	BFBUAMFRHVPBMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057155
N#Cc1ccc(cc1)OCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319650274	327.401	IOIOVOSXCLGXNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057156
o1nc(c2CCCCCc12)C(=O)N1CCN(CC1)c1[nH+]cccc1	PC-id_40660385	327.401	DHJORDNPTSUFQM-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-057157
OCc1[nH]c2c(n1)c(ccc2)C(=O)N1CCCc2c(C1)ccs2	MCULE-2493530913,EMOLS-id_320044485	327.401	BZULJADCTHQFOM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057158
O=C(c1noc2c1CCCCC2)NCc1nc2c(s1)cccc2	EMOLS-id_100952589	327.401	YZQLSHBFTDWHTG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057159
O=C(CSc1nnc2n1CCCCC2)c1cc2ccccc2o1	ZINC22_6098345,CoCoCo_3082160,EMOLS-id_11840834,PC-id_7877530,MCULE-7946106796	327.401	QGJCAYZSXBEEMT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057160
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc2c(o1)cccc2	CoCoCo_3082163,CoCoCo_3082162	327.401	TXCPPTZQWNDUBD-ACCUITESSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057161
O/C(=CSc1nnc2n1CCCCC2)/c1cc2c(o1)cccc2	CoCoCo_3082164,CoCoCo_3082161	327.401	TXCPPTZQWNDUBD-QBFSEMIESA-N	00000000100000100101000001000010000000000000000000000000	31-01-057162
O=C(N1CCCc2c(C1)ccs2)Nc1cccc2c1nc(o2)C	MCULE-6294402885,EMOLS-id_316352224	327.401	BWPCWUVGVHZVHK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057163
O=C(N1CCCCc2c1sc(n2)C)Cc1noc2c1cccc2	EMOLS-id_319336977	327.401	WAEJAZUDXGURJO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057164
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2c(s1)CCCCC2	PC-id_16378198,ZINC22_10214185,MCULE-5572923556,CoCoCo_3194075,EMOLS-id_11837002	327.401	RFMMXGCOBQOXNW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057165
s1c2CCCCCc2nc1NC(=O)Cc1noc2c1cccc2	PC-id_29859477	327.401	OWXRHFRVQHXEAE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057166
S(c1[nH]c2c(n1)C(=Cc1ccc(OC)cc1)C(=O)N(C=C2)C)C	PC-id_24828886	327.401	DORHZOCVXUFNNL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057167
c1(cn2c(CCNCC2)n1)C(=O)N1CCC(CC1)S(=O)(=O)N	MCULE-4186209293,EMOLS-id_330458460,ZINC22_1857738429	327.403	HODIFXWIEGQNAN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057168
CS(=O)(=O)NCc1cnc2CCN(CCn12)C(=O)NC1CC1	PC-id_97467179,ZINC22_96197035,EMOLS-id_44328999	327.403	ZGYSMORXTPCDQE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-057169
O=C(C1CN(C1)S(=O)(=O)C)NCc1nnc2n1CCCCC2	EMOLS-id_278506016	327.403	BCKJHKGRFWXCCL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-057170
O=C(NC1CCS(=O)(=O)C1)NCc1nnc2n1CCCCC2	PC-id_71894169,EMOLS-id_45753390,MCULE-8733536299	327.403	GCXRGRKIKMZZTH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057171
O=C(NCc1nnc2n1CCCCC2)N[C@@H]1CCS(=O)(=O)C1	PC-id_93917174,ZINC22_42873010	327.403	GCXRGRKIKMZZTH-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057172
O=C(NCc1nnc2n1CCCCC2)N[C@H]1CCS(=O)(=O)C1	PC-id_93917176,GD-id_ZINC42873012,ZINC22_42873012	327.403	GCXRGRKIKMZZTH-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-057173
c12C(CCCCn1nnn2)C(=O)NCc1ccc2c(ccs2)c1	EMOLS-id_49664858,MCULE-6452271826,PC-id_74242822	327.404	VYYRKEFTEMXKPM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057174
c1ccc(c2nnc(CSc3nnc4n3CCCCC4)o2)cc1	CoCoCo_3081537,PC-id_7876787,ZINC22_6097288,MCULE-5731547696,EMOLS-id_2886298	327.404	XLGUKVKZERUBIW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-057175
c1ccc(c2noc(CSc3nnc4n3CCCCC4)n2)cc1	PC-id_7877646,ZINC22_6098475,MCULE-2424759664,CoCoCo_3082300,EMOLS-id_3662054	327.404	DGOSSEBCTJABCB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-057176
c1(C(=O)Nc2sc3c(CCCCCC3)n2)cc2n(cccn2)n1	ZINC22_646741910,MCULE-4202272398,EMOLS-id_316162212,PC-id_134696955	327.404	KYYFCNGMGSFTGK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057177
c1([nH]nc(c2ccc(C)s2)c1)C(=O)N1CCCn2cncc2C1	ZINC22_91270261,MCULE-6890662793,EMOLS-id_44701457,PC-id_70711419	327.404	YTCRMPBVPQVIJZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-057178
Cc1ccc2c(c1)cc(s2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102176501	327.404	FTYQCTOWZRZBQQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057179
Cc1ccc2c(c1)scc2C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102177881	327.404	PBXIWRNWXNMCRB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057180
Cc1cc(cc2sc(N)nc12)C(=O)N1CCCn2cncc2C1	MCULE-7705403490,EMOLS-id_43068797,PC-id_56884917,ZINC22_72128471	327.404	YCCKPFABIXKPNX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057181
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(s1)c1n[nH]cc1	EMOLS-id_319591979	327.404	GKMLJFDFQDVDRP-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-057182
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1sc2c(c1N)cccn2	EMOLS-id_319368355	327.404	RPYBLXWNOMYPRP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057183
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cccc2c1nsn2	EMOLS-id_319333177	327.404	HOGBVNLMLKIZCW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057184
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)n(C)nn2	EMOLS-id_320171483,MCULE-4208378308	327.404	KOENWXZVMKJIFE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057185
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc2c(c1)ncn2C	EMOLS-id_320167449,MCULE-2961052201	327.404	DLYJHKRXSZPSND-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057186
Cc1nc2c(s1)N(CCCC2)C(=O)c1cncc2c1n(C)cn2	EMOLS-id_320163947,MCULE-4241025698	327.404	AAGXLDIZABZQPI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057187
Cc1sc2c(n1)CCCCN2C(=O)c1ccc2n(c1)c(C)nn2	EMOLS-id_319784747	327.404	HHBLTSNLVYDJDQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057188
Cc1sc2c(n1)CCCCN2C(=O)c1ccnc2c1nc([nH]2)C	EMOLS-id_319523441	327.404	LWYXSFRUZBWQMR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057189
Cc1sc2c(n1)CCCCN2C(=O)c1cnn2c1ncc(c2)C	EMOLS-id_319813163	327.404	UAKPAAFTOGJOLZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057190
Cc1sc2c(n1)CCCCN2C(=O)c1nccn2c1nc(c2)C	MCULE-7103577500,EMOLS-id_320056886	327.404	UIMHAKBJDPEENC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057191
Cn1ccc(n1)c1[nH]ncc1C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319708041	327.404	OIZSXTKUFBBWBI-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-057192
N#CC(c1nnc2n1CCCCC2)C(=O)c1csc(n1)C1CC1	PC-id_75493743,MCULE-8195533099,EMOLS-id_49292022	327.404	BZNLBFFLTZYWQT-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-057193
N#C[C@H](C(=O)c1csc(C2CC2)n1)c1nnc2n1CCCCC2	PC-id_97784054,ZINC22_97000175	327.404	BZNLBFFLTZYWQT-LLVKDONJSA-N	00100000100000000101100000000010000000000000000000000000	31-01-057194
N#C[C@@H](C(=O)c1csc(C2CC2)n1)c1nnc2n1CCCCC2	PC-id_97784057,ZINC22_97000180	327.404	BZNLBFFLTZYWQT-NSHDSACASA-N	00100000100000000101100000000010000000000000000000000000	31-01-057195
O=c1sc2c(n1Cc1nnnn1c1ccccc1)CCCCC2	EMOLS-id_43399905,MCULE-5185600800,PC-id_72108921,ZINC22_75092335	327.404	KHCBRZYUJNXFSR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-057196
O=C(c1ccc2c(c1)nn[nH]2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98550986	327.404	RBGCGENAFHGWOA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057197
O=C(C1CCc2n(CC1)cnn2)NCc1nc2c(s1)cccc2	EMOLS-id_319544442	327.404	NWGHEZHPTLQFPC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057198
O=C(c1cccc2n1cnn2)Nc1sc2c(n1)CCCCCC2	MCULE-6695059241,EMOLS-id_320253695	327.404	MKGBIQZBKNCKDU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057199
O=C(c1cccn2c1nnc2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_319305585	327.404	LCYSTLXDGDOIMN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057200
O=C(c1cccs1)N1Cc2nccn2C[C@H](Cn2cccn2)C1	PC-id_97463002,ZINC22_96188568	327.404	ZSIWIRIHFXVVFY-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057201
O=C(c1cccs1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	PC-id_97463003,ZINC22_96188569	327.404	ZSIWIRIHFXVVFY-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057202
O=C(c1cccs1)N1CCc2ncc(Cn3cccn3)n2CC1	PC-id_97467105,ZINC22_96196961,EMOLS-id_44328853	327.404	CVOYHQQNCCCOCP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057203
O=C(C1CCn2c(CC1)nnc2)Nc1nc2c(s1)cccc2C	EMOLS-id_319659175	327.404	AVKHFWSTADXYQJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057204
O=C(c1ccnc2c1cn[nH]2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_319517889	327.404	CAZFFJXUMHAEQX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057205
O=C(c1cn2nccc2nc1C)Nc1nc2c(s1)CCCCC2	EMOLS-id_101202597	327.404	WWWZJXDWRAIEAY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057206
O=C(c1cnc2n1CCCCC2)NCc1sc2c(n1)cncc2	EMOLS-id_319059313	327.404	NEYOOVZSQNDQGF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057207
O=C(c1cscc1)N1CCc2n(CC1)c(cn2)Cn1cccn1	PC-id_97467095	327.404	TWEZHNUZFDTDRX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057208
O=C(c1n[nH]c2c1CCCCC2)NCc1sc2c(n1)cncc2	EMOLS-id_319727272	327.404	CYJODNWKORHHIN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057209
O=C(c1sc2c(c1)cccc2C)NC1CCn2c(CC1)nnn2	EMOLS-id_102176525	327.404	XRRQIFBYUNHEAI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057210
O=C(c1sc2c(c1N)cccn2)N1CCCc2c(C1)cnn2C	EMOLS-id_316681738	327.404	YDYSYEAVXNFPPY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057211
O=C(Cn1ncc2c1nccc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_319951461,MCULE-9784021439	327.404	PSXZZSUBQFPNAO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057212
O=C(N1CCCc2c(C1)cnn2C)Cc1cccc2c1nsn2	EMOLS-id_319727704	327.404	UIQVBZIIZUONOV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057213
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)ncs2	EMOLS-id_101970561	327.404	AMKMAMUUDMQAQT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057214
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)scn2	EMOLS-id_101947008	327.404	WEPYBYZEZGOOMH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057215
O=C(N1CCCc2c(C1)cnn2C)Nc1nc2c(s1)cccc2	EMOLS-id_101847124	327.404	ARJGOOODUQLQHZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057216
O=C(N1CCCc2c(C1)cnn2C)Nc1nsc2c1cccc2	EMOLS-id_177315353,MCULE-8280816614	327.404	CDDNQKPALINBLQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057217
O=C(N1CCCCc2c1sc(n2)C)Cn1ncc2c1cccn2	MCULE-5295810878,EMOLS-id_320131360	327.404	OWBNPTYCOUANQG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057218
O=C(N1CCCCc2c1sc(n2)C)Cn1ncc2c1nccc2	EMOLS-id_318902158	327.404	PQXGXPRPWIIUBF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057219
O=C(N1CCCCc2c1sc(n2)C)Cn1nnc2c1cccc2	EMOLS-id_320167175,MCULE-9369560421	327.404	GSBFDFFYMOWEHX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057220
O=C(N1CCCn2c(C1)cc(n2)N)Nc1cccc2c1scc2	EMOLS-id_319793520	327.404	VFLUFLNBFSBCOR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057221
O=C(N1CC(Cn2cccn2)Cn2ccnc2C1)c1cccs1	EMOLS-id_44326411	327.404	ZSIWIRIHFXVVFY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057222
O=C(Nc1nc2c(s1)CCCCCC2)c1ccc2nncn2c1	EMOLS-id_32156343,PC-id_51103688,ZINC22_58322869,MCULE-6155369094	327.404	HNHZFZTWQCYYRD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057223
O=C(NCc1ccc2sccc2c1)[C@@H]1CCCCn2nnnc12	ZINC22_97653955,PC-id_97930324	327.404	VYYRKEFTEMXKPM-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057224
O=C(NCc1ccc2sccc2c1)[C@H]1CCCCn2nnnc12	ZINC22_97653956,PC-id_97930325	327.404	VYYRKEFTEMXKPM-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057225
O=C(NCc1nnc2n1CCCCC2)c1ccc2ncsc2c1	EMOLS-id_18894877,ZINC22_12908290,CoCoCo_4625727,PC-id_25594538,MCULE-5646371650	327.404	QHENKCMQWOVDRJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057226
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc(ccc1)C#N	PC-id_7877412	327.404	MFTLGGUPIMPNGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057227
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(cc1)C#N	PC-id_7877518	327.404	GYBKLGLKOLPCKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057228
c1ccc(n2nnnc2CSc2nnc3n2CCCCC3)cc1	MCULE-4653930667,EMOLS-id_11816418,PC-id_16367351,CoCoCo_4013264,ZINC22_9583366	327.407	KYTIIGLHZFWXFC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-057229
S(Cc1n2CCCCCc2nn1)c1n(nnn1)c1ccccc1	PC-id_3732727	327.407	IHRVNRWEARNHFY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-057230
Cc1c2-c(c(cc2C(=O)O)C=NOC(C)(C)C)cc(cc1)C(C)C	PC-id_87882162	327.417	JXWCOTYGEFRIOO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057231
CC(c1ccc(c2-c(c1)c(cc2C(=O)O)/C=[N+](/C(C)(C)C)[O-])C)C	SCHEMBL5711317	327.417	IDPUEVFLMHIHMJ-NHDPSOOVSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057232
CC(c1ccc(c2-c(c1)c(/C=NOC(C)(C)C)cc2C(=O)O)C)C	SCHEMBL5711318	327.417	JXWCOTYGEFRIOO-NHDPSOOVSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057233
O=C(Nc1c2-c(c(c1)C)cc(C(C)C)ccc2C)C(CC)C(=O)O	PC-id_3067213	327.417	WNNZFMPEHUCJTR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057234
[O-][N+](=Cc1c2-c(c(c1)C(=O)O)c(ccc(C(C)C)c2)C)C(C)(C)C	PC-id_85064720	327.417	IDPUEVFLMHIHMJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057235
[O-]/[N+](=C/c1c2-c(c(c1)C(=O)O)c(ccc(C(C)C)c2)C)/C(C)(C)C	PC-id_9906403	327.417	IDPUEVFLMHIHMJ-SRZZPIQSSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057236
CCCCOc1ccc(cc1)C(=Cc1ccc2-c(cc1)ccc2)C#N	PC-id_141486112	327.419	ZIMQWNPQANMSNG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-057237
CCN(c1ccc(ccc1=O)C#Cc1cc2-c(c1)ccccc2)CC	PC-id_102075917	327.419	PHGSLWBCCNPDTG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057238
CCN(c1ccc(ccc1=O)C#Cc1ccc2-c(cc1)ccc2)CC	PC-id_102075918	327.419	BRBNCCGUVKXEHA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057239
c12CN(CCCc1n(nc2)C)C(=O)CCc1ccc(cc1)OCC	EMOLS-id_368180,ZINC22_12236017,PC-id_92427955,MCULE-1463332500,AOP-19423349	327.421	AUNOZUHDBINNGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057240
c12CN(CCCc1n(nc2)C)C(=O)COc1ccccc1C(C)C	AOP-19598560,PC-id_92423792,ZINC22_12220490,MCULE-4571705258,EMOLS-id_430544	327.421	LOVPQKVSHWYMMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057241
c12CN(CCCn1nc(CO)c2)Cc1ccc2c(CC(O2)(C)C)c1	MCULE-9979097852,EMOLS-id_55658838,PC-id_91779653	327.421	KQLFSWWBRUPCNI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057242
c12CN(CCCn1nc(CO)c2)Cc1cccc(c1)OCC(=C)C	MCULE-5491214382,PC-id_91782534,EMOLS-id_55667199,ZINC22_217467569	327.421	RLDCOABKSPICKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057243
c12cnn(C)c1CCCN(C(=O)C(C)Oc1cc(C)cc(C)c1)C2	MCULE-1081524122,AOP-19423353,EMOLS-id_429580,PC-id_110224275	327.421	NANXEPICBKJIHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057244
c12nccn1CCCN(C(=O)COCc1ccccc1)C2C(C)C	EMOLS-id_55717388,MCULE-8762747609	327.421	AKRFVCPGNBWSLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057245
c1ccc(O[C@@H]2CN(CC3CCOCC3)Cc3cccn3C2)nc1	ZINC22_253588406	327.421	BOHFYVDEUOGEHE-GOSISDBHSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057246
c1ccc(O[C@H]2CN(CC3CCOCC3)Cc3cccn3C2)nc1	ZINC22_253588407	327.421	BOHFYVDEUOGEHE-SFHVURJKSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057247
c1cncc(O[C@H]2CN(CC3CCOCC3)Cc3cccn3C2)c1	ZINC22_253588732	327.421	QCWLEARSAIQIRU-IBGZPJMESA-N	00000000100010101101000000000010000000000000000000000000	31-01-057248
c1cncc(O[C@@H]2CN(CC3CCOCC3)Cc3cccn3C2)c1	ZINC22_253588733	327.421	QCWLEARSAIQIRU-LJQANCHMSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057249
c1(C(=O)Nc2cccc(c2)OCC(C)C)c2CCCCCc2[nH]n1	EMOLS-id_335065193,MCULE-9865008109	327.421	DMMUOTBCOZQPCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057250
c1(C(=O)Nc2ccc(cc2)OCC(C)C)c2CCCCCc2[nH]n1	EMOLS-id_335076699,MCULE-6834245295	327.421	GJRWHZLYULJTCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057251
c1(C(=O)Nc2ccccc2OCCCC)c2CCCCCc2[nH]n1	MCULE-4667574855,EMOLS-id_335024739	327.421	AIVCATCOAFDNGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057252
c1(C(=O)Nc2ccc(cc2)OCCCC)c2CCCCCc2[nH]n1	MCULE-7111277154,EMOLS-id_335037290	327.421	DKQLVNKIHVVFBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057253
c1(C(=O)Nc2ccccc2OCC(C)C)c2CCCCCc2[nH]n1	MCULE-7995059921,EMOLS-id_335081572	327.421	ONTUZMFLBKRPGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057254
c1(C(=O)Nc2cc(C)ccc2OCCC)c2CCCCCc2[nH]n1	EMOLS-id_335028351,MCULE-1439695745	327.421	SFJLWRSGDOFFSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057255
c1(C(=O)Nc2cc(C)ccc2OC(C)C)c2CCCCCc2[nH]n1	MCULE-1186229361,EMOLS-id_335047801	327.421	DHUFMYZLVZRZJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057256
c1(C(=O)NCCCc2ccccc2OC)c2CCCCCc2n[nH]1	ZINC22_12116821,CoCoCo_474458,CoCoCo_474457,SYN-15560503,MCULE-3978846691,PC-id_16677175,EMOLS-id_24893340	327.421	XQYRNWCWNILKLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057257
c1(C(=O)NCCOc2cc(C)cc(C)c2)c2CCCCCc2[nH]n1	EMOLS-id_335051631,MCULE-6658813141	327.421	UPXALFNWWZZLJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057258
Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCCc3c(cnn3C)C2)c1	PC-id_92601549,ZINC22_19569732	327.421	NANXEPICBKJIHG-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057259
Cc1cc(C)cc(O[C@H](C)C(=O)N2CCCc3c(cnn3C)C2)c1	ZINC22_19569729,PC-id_92601548	327.421	NANXEPICBKJIHG-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057260
Cc1cccc(O[C@H](C(=O)N2CCCn3cncc3C2)C(C)C)c1	PC-id_95729772,ZINC22_72172640	327.421	GOMZJAIMPAZWBJ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057261
Cc1cccc(O[C@@H](C(=O)N2CCCn3cncc3C2)C(C)C)c1	ZINC22_72172641,PC-id_95729773	327.421	GOMZJAIMPAZWBJ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057262
Cc1ccc(nc1)C(CNC(=O)N1CCCc2c(C1)cco2)(C)C	EMOLS-id_316710173	327.421	HJFDHMYVDVOSPH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-057263
C(C1CCOCC1)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_50011588	327.421	BOHFYVDEUOGEHE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057264
C(C1CCOCC1)N1CC(Cn2cccc2C1)Oc1cccnc1	EMOLS-id_50019892	327.421	QCWLEARSAIQIRU-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057265
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)OC(C)(C)C	EMOLS-id_318901020	327.421	QHHDGAPAEPZTSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057266
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)OC(C)(C)C	EMOLS-id_319465372	327.421	DJTPFSCRBMXMFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057267
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccccc1OC(C)C	EMOLS-id_318801563	327.421	PIBQILQMUYYNEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057268
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(CCOc1ccccc1)C	EMOLS-id_319399456	327.421	VFMDVTFBVMJZOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057269
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCOc1ccccc1C	EMOLS-id_319677776	327.421	DMSQVPUJGICOLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057270
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCOc1cccc(c1)C	EMOLS-id_319912694,MCULE-4889197583	327.421	TYEKAZGEXBHSKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057271
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCOc1ccc(cc1)C	EMOLS-id_320046781,MCULE-2455684359	327.421	HJRJVFQPONHZBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057272
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCOc1ccc(c(c1)C)C	EMOLS-id_318959563	327.421	MDCBIQPLDNZPQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057273
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCOc1ccc(cc1C)C	EMOLS-id_319161332	327.421	CIVSTVMINKQPGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057274
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCOc1cccc(c1C)C	EMOLS-id_320219986,MCULE-1834523454	327.421	NFAWONORGBHARG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057275
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCOc1cc(C)ccc1C	EMOLS-id_320181509,MCULE-1727352412	327.421	OCGHAXZAYCDZCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057276
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCOc1c(C)cccc1C	MCULE-4830656745,EMOLS-id_319948948	327.421	GHYGBBPVCOHSPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057277
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1ccc(cc1)C(C)C	EMOLS-id_319130715	327.421	RMLMEVHRLKYEBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057278
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1c(C)cc(cc1C)C	MCULE-1001282795,EMOLS-id_320056177	327.421	DMJOUPDSNKLFMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057279
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(OCc1cccc(c1)C)C	EMOLS-id_320057329,MCULE-7098239597	327.421	QCLPPCDUPXNRAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057280
CCc1ccccc1OCCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319641892	327.421	UMYRAEXKOHORTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057281
CCC1N(CCCn2c1ncc2)C(=O)CCc1ccccc1OC	EMOLS-id_97010754,MCULE-4463885093	327.421	OBWPVRZEJYAKLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057282
CCCCC(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_575403554	327.421	GQZKIAMRBFHJMK-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057283
CCCCC(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_575403555	327.421	GQZKIAMRBFHJMK-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057284
CC(C)CC(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_575404828	327.421	OYHHFYJMINVOJF-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057285
CC(C)CC(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_575404830	327.421	OYHHFYJMINVOJF-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057286
CCCCC(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_575404748	327.421	ODNQOVKWFNOEDI-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057287
CCCCC(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_575404754	327.421	ODNQOVKWFNOEDI-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057288
CC(C)CC(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_575404980	327.421	PYXIYXDQMWIJGM-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057289
CC(C)CC(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_575404982	327.421	PYXIYXDQMWIJGM-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057290
CCCCC(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_575405181	327.421	QPTDWZHMSHWMRB-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057291
CCCCC(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_575405182	327.421	QPTDWZHMSHWMRB-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057292
CC(C)CC(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_55751313	327.421	OYHHFYJMINVOJF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057293
CCCCC(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_55751403	327.421	GQZKIAMRBFHJMK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057294
CCCCC(=O)N1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_55751017	327.421	ODNQOVKWFNOEDI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057295
CCCCC(=O)N1CC(Cn2cccc2C1)OCc1ccncc1	EMOLS-id_55750695	327.421	QPTDWZHMSHWMRB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057296
CC(C)CC(=O)N1CC(Cn2cccc2C1)OCc1ccncc1	EMOLS-id_55751007	327.421	PYXIYXDQMWIJGM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057297
CCCC(=O)N1Cc2cccn2C[C@@H](OCc2cccc(C)n2)C1	ZINC22_575403961	327.421	JMOXBMYGCLLHCD-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057298
CCCC(=O)N1Cc2cccn2C[C@H](OCc2cccc(C)n2)C1	ZINC22_575403962	327.421	JMOXBMYGCLLHCD-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057299
CCC(C(=O)N1CCCc2c(C1)cnn2C)c1ccc(cc1)OC	EMOLS-id_318276918	327.421	SAWBUDHWGQPAPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057300
CCC(C(=O)N1CCCc2c(C1)cnn2C)Oc1cccc(c1)C	EMOLS-id_318129554	327.421	BFDSVQSFDDVAFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057301
CCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)c1ccc(cc1)OC	EMOLS-id_319001969	327.421	WSHHTKZEHPACFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057302
CC(C(C(=O)N1CCCn2c(C1)cnc2)Oc1cccc(c1)C)C	EMOLS-id_43180407,PC-id_56917161,MCULE-9958881597	327.421	GOMZJAIMPAZWBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057303
CCCC(=O)N1CC(Cn2cccc2C1)OCc1cccc(C)n1	EMOLS-id_55750677	327.421	JMOXBMYGCLLHCD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057304
CC[C@@H](c1ccncc1)N(CC)C(=O)c1noc2c1CCCCC2	ZINC22_154207642	327.421	ZCRYCWQCTAHLNH-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057305
CC[C@H](c1ccncc1)N(CC)C(=O)c1noc2c1CCCCC2	ZINC22_154207729	327.421	ZCRYCWQCTAHLNH-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057306
CCCN(c1ccc(cn1)C(=O)N1CCCc2c(C1)cco2)CC	EMOLS-id_257914066,MCULE-8205321944	327.421	RXGREVLUWDAZRE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-057307
CCCOc1cccc(c1)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319665726	327.421	NHARHTYBOAJFBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057308
C=CCOCc1ncn2c1CN(Cc1ccc(OC)cc1)CCC2	PC-id_97381653,ZINC22_96058997,EMOLS-id_46148291	327.421	WUZDEAGPUQETQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057309
CC(C)(O)CCc1cccc(c1)C(=O)N1CCCn2cncc2C1	EMOLS-id_43115649,ZINC22_72427114,PC-id_70738378,MCULE-3401917300	327.421	PLUIVZCLVBOGKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057310
CC(C)(O)CCc1ccc(cc1)C(=O)N1CCCn2cncc2C1	EMOLS-id_43124735,PC-id_70743547,MCULE-7232799611,ZINC22_72430603	327.421	MTNFNCARXZYWMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057311
C=CCOC[C@H]1CN(Cc2cccc(OC)c2)Cc2nccn2C1	ZINC22_2055713273	327.421	RNCBWBCTAQLVIW-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057312
C=CCOC[C@@H]1CN(Cc2cccc(OC)c2)Cc2nccn2C1	ZINC22_2055713274	327.421	RNCBWBCTAQLVIW-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057313
C=CCOC[C@@H]1CN(Cc2ccc(OC)cc2)Cc2nccn2C1	ZINC22_96187834,PC-id_97462285	327.421	XPQKHEAJIVBJPW-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057314
C=CCOC[C@H]1CN(Cc2ccc(OC)cc2)Cc2nccn2C1	ZINC22_96187835,PC-id_97462286	327.421	XPQKHEAJIVBJPW-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057315
CC(N(c1ccccc1)C)CNC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318666764	327.421	HMJZUJFKRMTVOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057316
CCN(C(=O)c1noc2c1CCCCC2)C(c1ccncc1)CC	EMOLS-id_313194782,MCULE-2746311663	327.421	ZCRYCWQCTAHLNH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057317
CCOc1ccc(cc1)CCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319121228	327.421	QMKHDGQYEBAHHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057318
CCOc1ccccc1CCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319696132	327.421	PIIXGTNWVOWVMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057319
CC(Oc1cccc(c1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C)C	EMOLS-id_316377083,MCULE-4144661901	327.421	HJSKIUDEPPIGLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057320
CCOC(=O)c1c(N)c2c(n1C)CCN(CC2)Cc1ccccc1	SCHEMBL11180088,PC-id_20481309	327.421	SEWSFVBAEFPTQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057321
CN(CCNC(=O)c1noc2CCCCCc12)Cc1ccccc1	CoCoCo_2401417,MCULE-3941355939,CoCoCo_2401418,EMOLS-id_16234831,PC-id_20923867	327.421	REPAOIKROCNTCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057322
CNC(=O)CC1CN(Cc2ccccc2OC)Cc2cccn2C1	EMOLS-id_313812000	327.421	UDQJBMQUJJQIJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057323
CNC(=O)CC1CN(Cc2cccc(OC)c2)Cc2cccn2C1	EMOLS-id_313812768	327.421	DAMRHMFVCUSMDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057324
CNC(=O)C[C@H]1CN(Cc2ccccc2OC)Cc2cccn2C1	ZINC22_585099199	327.421	UDQJBMQUJJQIJB-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057325
CNC(=O)C[C@@H]1CN(Cc2ccccc2OC)Cc2cccn2C1	ZINC22_585099200	327.421	UDQJBMQUJJQIJB-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057326
CNC(=O)C[C@H]1CN(Cc2cccc(OC)c2)Cc2cccn2C1	ZINC22_585099029	327.421	DAMRHMFVCUSMDI-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057327
CNC(=O)C[C@@H]1CN(Cc2cccc(OC)c2)Cc2cccn2C1	ZINC22_585099030	327.421	DAMRHMFVCUSMDI-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057328
COc1ccccc1C(CC(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	MCULE-7581032651,EMOLS-id_320306704	327.421	QXJJYJSZGFGROB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057329
COc1ccc(cc1)C(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)(C)C	EMOLS-id_318827897	327.421	WBFISVDODFNLPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057330
COc1ccccc1CNC(=O)Cn1nc2c(c1)CCCCCC2	CoCoCo_2192331,PC-id_20892494	327.421	JDXYQVYVFFANKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057331
COc1cccc(c1)CNC(=O)Cn1nc2c(c1)CCCCCC2	CoCoCo_2192332,MCULE-6604331770,PC-id_20892495,EMOLS-id_16087335	327.421	FXYSMXMEBWIHRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057332
COc1ccc(cc1)CNC(=O)Cn1nc2c(c1)CCCCCC2	PC-id_20892484,ChEMBL-DNDi_CHEMBLC881-1277,CoCoCo_2192324	327.421	LIVQAOOYWYGFJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057333
COc1cccc(CN2CC(COCC=C)Cn3ccnc3C2)c1	EMOLS-id_313723614	327.421	RNCBWBCTAQLVIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057334
COc1ccc(CN2CC(COCC=C)Cn3ccnc3C2)cc1	EMOLS-id_44325867	327.421	XPQKHEAJIVBJPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057335
COCC1CCn2cncc2CN1C(=O)CCc1ccccc1C	EMOLS-id_313817126	327.421	VVBGPXGXTRIGAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057336
COC[C@@H]1CCn2cncc2CN1C(=O)CCc1ccccc1C	ZINC22_585098309	327.421	VVBGPXGXTRIGAL-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057337
COC[C@H]1CCn2cncc2CN1C(=O)CCc1ccccc1C	ZINC22_585098315	327.421	VVBGPXGXTRIGAL-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057338
COCCNC(=O)c1ccc2CN(Cc3ccccc3)CCCn12	MCULE-5226279193,EMOLS-id_317419354	327.421	JGMRLLJLCISPNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057339
n1c(CNC(=O)CCCOc2ccccc2)c2c(CCCCC2)[nH]1	MCULE-2056181962,PC-id_91771396,ZINC22_219516968,EMOLS-id_55635048	327.421	ZRVQGSUTSGPDJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057340
Oc1ccc(c(c1)C)CC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319256653	327.421	UFQOWMSSLQNWOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057341
Oc1cccc(c1)CCC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319770158	327.421	AIPBMJRXRHPDOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057342
Oc1cccc(c1)C(C(=O)N1Cc2cnn(c2CC(C1)(C)C)C)C	EMOLS-id_319035926	327.421	QFUWZZNNUSQFMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057343
Oc1cccc(c1)C(C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)(C)C	EMOLS-id_319067045	327.421	AVJPBCQTNZBJRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057344
O=C1NCC(Cc2c1cn(n2)CCCOCc1ccccc1)(C)C	EMOLS-id_316614797	327.421	VIVLTYIJHOTKIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057345
O=C(c1nn(c(c1)C)C1CCCCC1)N1CCCc2c(C1)cco2	EMOLS-id_99370747	327.421	NMPJRLWOPUBXED-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-057346
O=C(C(CCc1ccccc1)(O)C)N1CCCc2c(C1)cnn2C	EMOLS-id_318221014	327.421	BLKGDNNETGLPJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057347
OC[C@@H](c1ccccc1)NC(=O)c1n[nH]c2c1CCCC[C@@H]2CC	PC-id_145479745	327.421	PXZSVONRDMNVNG-BBRMVZONSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057348
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)c1cc2c(o1)CCCC2	EMOLS-id_319613724	327.421	QZIWQRGEELFQFR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057349
O=C(N1CCc2c(CC1)cn(n2)Cc1ccccc1)OC(C)(C)C	PC-id_141114074	327.421	ACCBJRSQNTXZHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057350
O=C(N1CCc2c(CC1)cnn2Cc1ccccc1)OC(C)(C)C	PC-id_67269550,SCHEMBL2076226	327.421	OREPTGDZXFUTMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057351
O=C(N1CCc2c(CC1)nc[nH]2)OCc1ccc(cc1)C(C)(C)C	PC-id_142022583	327.421	FOYMDMGAUVJBAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057352
O=C(N1CCc2c(CC1)[nH]nc2Cc1ccccc1)OC(C)(C)C	PC-id_101905806	327.421	SQEOXPQLPDUJOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057353
O=C(NCCN(CC)CC)c1c2-c(c(NC(=O)C)c1)ccccc2	PC-id_41189	327.421	ZPVPLGTYKMIMFM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057354
OC(=O)CCc1nn2c(CN(CCC2)CC(c2ccccc2)C)c1	PC-id_56889614	327.421	PUPUQHOQBPMMFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057355
O(C(=O)N1CCCc2[nH]cnc2CC1)c1ccc(C(C)(C)C)cc1	PC-id_20803087	327.421	INKPGMSTFMNGCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057356
CCN(/C=C/C(=CC=C(C#N)C#N)/c1ccc2-c1ccccc2)CC	PC-id_102344625	327.422	VZYYLNWDANDBMC-SSBPWDNZSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057357
Cn1c2CCCN(Cc2c(=O)n1C)S(=O)(=O)c1cccs1	PC-id_97392155,ZINC22_96070108,EMOLS-id_46164411	327.422	WJRASSAVDUUZGJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057358
COc1ccsc1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948697	327.422	CGBACPLFIABMFK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057359
COc1nn(C)c2c1CCCN(S(=O)(=O)c1cccs1)C2	PC-id_97515537,ZINC22_96254487,EMOLS-id_44366660	327.422	QSYBNFCYBCBJPO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057360
COCC1CN(Cc2ccnn2C1)S(=O)(=O)c1cccs1	EMOLS-id_46160867	327.422	NVJGWENKERYLIW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057361
COCC1CN(Cc2nccn2C1)S(=O)(=O)c1cccs1	EMOLS-id_44325787	327.422	KRERFRWVWCMQNC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057362
COCc1ncn2c1CN(S(=O)(=O)c1cccs1)CCC2	PC-id_97519995,EMOLS-id_44371366,ZINC22_96259915	327.422	OYOIMHKEBIIETE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057363
COC[C@@H]1CN(S(=O)(=O)c2cccs2)Cc2ccnn2C1	PC-id_97389546,ZINC22_96067229	327.422	NVJGWENKERYLIW-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057364
COC[C@H]1CN(S(=O)(=O)c2cccs2)Cc2ccnn2C1	ZINC22_96067228,PC-id_97389545	327.422	NVJGWENKERYLIW-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-057365
COC[C@@H]1CN(S(=O)(=O)c2cccs2)Cc2nccn2C1	PC-id_97462210,ZINC22_96187755	327.422	KRERFRWVWCMQNC-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-057366
COC[C@H]1CN(S(=O)(=O)c2cccs2)Cc2nccn2C1	ZINC22_96187754,PC-id_97462209	327.422	KRERFRWVWCMQNC-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057367
S=c1n(nc2n1CCCCC2)C[NH+]1C(CC(O)C1)C(=O)OC	PC-id_84960099	327.422	MPECIGCLLXHMPO-UHFFFAOYSA-O	00000010100000000101000000000010000000000000000000000000	31-01-057368
S=c1n(nc2n1CCCCC2)C[NH+]1[C@@H](C[C@H](O)C1)C(=O)OC	PC-id_9237325	327.422	MPECIGCLLXHMPO-QWRGUYRKSA-O	00000010100000000101000000000010000000000000000000000000	31-01-057369
S=c1n(nc2n1CCCCC2)C[NH+]1[C@@H](C[C@@H](O)C1)C(=O)OC	PC-id_9237331	327.422	MPECIGCLLXHMPO-MNOVXSKESA-O	00000010100000000101000000000010000000000000000000000000	31-01-057370
c12CN(CCCn1nc(C)c2)C(=O)CCc1[nH]nc2CCCCc12	MCULE-1664513403,ZINC22_65492164,EMOLS-id_32425114,PC-id_50978261	327.424	HYNPXXGOTZGQFT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057371
c1ccc(CN2Cc3ccnn3CC[C@H]2CN2CCOCC2)nc1	ZINC22_585096728	327.424	BJZAQFRWVAHKHU-KRWDZBQOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057372
c1ccc(CN2Cc3ccnn3CC[C@@H]2CN2CCOCC2)nc1	ZINC22_585096729	327.424	BJZAQFRWVAHKHU-QGZVFWFLSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057373
c1ccc(CN2Cc3nccn3C[C@H](CN3CCOCC3)C2)nc1	ZINC22_96188500,PC-id_97462936	327.424	RCNRURAJGCTCAI-MRXNPFEDSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057374
c1ccc(CN2Cc3nccn3C[C@@H](CN3CCOCC3)C2)nc1	ZINC22_96188501,PC-id_97462937	327.424	RCNRURAJGCTCAI-INIZCTEOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057375
c1ccc(nc1)OC1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_100895865	327.424	JXNRNWJRQHLKNN-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057376
c1ccc(NCc2cnc3n2CCN(C[C@H]2CCOC2)CC3)nc1	PC-id_97467266,ZINC22_96197123	327.424	OBLWTXJPCLQMBD-OAHLLOKOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-057377
c1ccc(NCc2cnc3n2CCN(C[C@@H]2CCOC2)CC3)nc1	ZINC22_96197122,PC-id_97467265	327.424	OBLWTXJPCLQMBD-HNNXBMFYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-057378
c1(cc([nH]n1)C1CC1)C(=O)N1CCCn2ccnc2C1CC(C)C	MCULE-2508117499,EMOLS-id_97038808	327.424	QQGIPWPMRUYVLP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-057379
c1(CN(C)CCC(=O)Nc2cccnc2)c2CCCCCc2[nH]n1	MCULE-4271873746,EMOLS-id_55627354,PC-id_91832028,ZINC22_244734315	327.424	NDFLHYBHZZMNDA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057380
c1cncc(CN2Cc3ccnn3CC[C@H]2CN2CCOCC2)c1	ZINC22_585097822	327.424	RBRLNXSRQHCGOU-KRWDZBQOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057381
c1cncc(CN2Cc3ccnn3CC[C@@H]2CN2CCOCC2)c1	ZINC22_585097823	327.424	RBRLNXSRQHCGOU-QGZVFWFLSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057382
c1(CN(C)C(=O)C2CCn3c(ccn3)C2)c2CCCCCc2[nH]n1	MCULE-9149125603,PC-id_154820699,EMOLS-id_324295824	327.424	BDVDCOLNMDMIGO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057383
c1cncc(OC2CCN(Cc3cc4n(n3)CCCNC4)CC2)c1	PC-id_56886764,ZINC22_72132159,MCULE-7063460288,EMOLS-id_43076277	327.424	YOLKWLQKRYNZKR-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057384
c1(C(=O)NCCc2ccccn2)cc2n(CCCN(C(C)C)C2)n1	ZINC22_65375984,PC-id_50952632,MCULE-9603917492,EMOLS-id_32376664	327.424	SZRKOTDMEVLTLB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057385
c1(C(=O)N(C)C(C)Cc2cc(C)ccn2)nnc2CCCCCn12	MCULE-6567597411,PC-id_90649836,EMOLS-id_50535049	327.424	KUQDCERINLIHMH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057386
c1(C(=O)N(CCCC)Cc2cccnc2)nnc2CCCCCn12	EMOLS-id_316234309,ZINC22_1506418447,MCULE-4698737139	327.424	SXJUFOQQYHNHPA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057387
Cc1ccc(c(c1)C)CCNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319842721,MCULE-7603944324	327.424	OJBHJCDHLVCHJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057388
Cc1cccc(c1)C(CNC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_318861000	327.424	QIFPJUVKZTVPJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057389
Cc1ccc(c(c1)C)C(NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319822362	327.424	LKEVCNDPEYGWNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057390
Cc1ccccc1CCNC(=O)NCc1nnc2n1CCCCC2	EMOLS-id_45749175,MCULE-2384832871,ZINC22_45570166,PC-id_71897850	327.424	FGFBXKCZRBNWGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057391
Cc1ccc(cc1)C(C(=O)NCCc1nnc2n1CCCCC2)N	EMOLS-id_302505218,MCULE-6033270229,PC-id_120669493	327.424	IIQTWIHMCYMAFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057392
Cc1ccccc1CN(C)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_24095959,ZINC22_12976932,PC-id_25642064,MCULE-6374475778,CoCoCo_4790783	327.424	BPKCNADPGJBNGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057393
Cc1cccc(c1)CNC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318730044	327.424	LCCJVAVMUKZJMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057394
Cc1cc(ccc1C(=O)N(C)C)NCc1nnc2n1CCCCC2	EMOLS-id_318312992,MCULE-1160023488	327.424	LMIIVSILODVVET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057395
Cc1ccc(CN(C)C(=O)NCc2nnc3n2CCCCC3)cc1	PC-id_45810660,EMOLS-id_30014558,MCULE-2552347770,CoCoCo_4790782,ZINC22_40501031	327.424	HJJIYIWZLCLQKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057396
C(C1CCn2nccc2CN1Cc1cccnc1)N1CCOCC1	EMOLS-id_313817642	327.424	RBRLNXSRQHCGOU-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057397
CC1(C)C(NC2CCn3c(CC2)nnn3)CC1Oc1ccccc1	EMOLS-id_318227465,MCULE-1929699463	327.424	OXVMUYQYWRIOCM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-057398
Cc1ccnc(C[C@H](C)N(C)C(=O)c2nnc3n2CCCCC3)c1	PC-id_100050109,ZINC22_219958250	327.424	KUQDCERINLIHMH-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057399
Cc1ccnc(C[C@@H](C)N(C)C(=O)c2nnc3n2CCCCC3)c1	ZINC22_219958185,PC-id_100050108	327.424	KUQDCERINLIHMH-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057400
Cc1ccnc(OCC2CN(CC3CCC3)Cc3cncn3C2)n1	EMOLS-id_49238677	327.424	RDMGUWRPQXEHTP-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-057401
Cc1ccnc(OC[C@H]2CN(CC3CCC3)Cc3cncn3C2)n1	PC-id_97487082,ZINC22_96220215	327.424	RDMGUWRPQXEHTP-INIZCTEOSA-N	00001000100000100101000000000010000000000000000000000000	31-01-057402
Cc1ccnc(OC[C@@H]2CN(CC3CCC3)Cc3cncn3C2)n1	PC-id_97487084,ZINC22_96220217	327.424	RDMGUWRPQXEHTP-MRXNPFEDSA-N	00001000100000100101000000000010000000000000000000000000	31-01-057403
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(nc1C1CCCC1)C	EMOLS-id_319672626	327.424	CWFYYYURDFJCJB-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-057404
C(C1CN(Cc2ccccn2)Cc2nccn2C1)N1CCOCC1	EMOLS-id_44326337	327.424	RCNRURAJGCTCAI-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-057405
Cc1nnc2n1CCC(CC2)N(C)C(=O)NCCc1ccccc1	EMOLS-id_50590462,PC-id_91922638,MCULE-2724318840	327.424	DOKZWAIYUFGXJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057406
CCc1ccc(cc1)CN1CCn2c(CC1)nnc2CNC(=O)C	ChEMBL-DNDi_CHEMBL39437428,PC-id_29257252	327.424	VHDWTZMNQLRSBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057407
CCc1cccc(c1NC(=O)N1CCCn2c(C1)cc(n2)N)CC	EMOLS-id_319060791	327.424	IAUXGTYAWZCPTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057408
CC(c1ccccc1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318453857	327.424	MBUHXFQJQXKLTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057409
CCc1ccc(cn1)C(=O)N1CCc2ncc(CN(C)C)n2CC1	ZINC22_1565543051,EMOLS-id_313779405	327.424	MTUAQBJDUFYJNS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057410
CCc1ccncc1NC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319376540	327.424	FTOPZHCZYWIEPO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057411
CCc1nc(C)c(c(n1)C)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319054742	327.424	CBIQHMFPNJORGY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057412
CC(c1nn2c(c1)CCCC2)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_278420540	327.424	RTMNEMMYVCWEKT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057413
CC(C(c1ccccc1)C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319503840	327.424	ZFBSLCGKNZFZNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057414
CCC(c1cccc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319792366	327.424	WVDXEGXJOBTLRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057415
CC(C(c1ccccc1)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319897068,MCULE-4564513891	327.424	YSSIJACAFUIYEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057416
CCC(c1nnc2n1CCCCC2)NC(=O)C(c1ccncc1)C	EMOLS-id_319314116	327.424	XSCPKUGIHUCVHP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057417
C#CCCC1(CCNC(=O)CCc2cnc3n2CCCCC3)N=N1	ZINC22_2325899876	327.424	BZXTXQXBECNPEX-UHFFFAOYSA-N	00110000100000000101000000000010000000000000000000000000	31-01-057418
CC(C)C(=O)NCC1CCn2nccc2CN1Cc1ccccn1	EMOLS-id_313818919	327.424	HQGYPPOSGDVQFH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057419
CC(C)C(=O)NC[C@@H]1CCn2nccc2CN1Cc1ccccn1	ZINC22_585097125	327.424	HQGYPPOSGDVQFH-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057420
CC(C)C(=O)NC[C@H]1CCn2nccc2CN1Cc1ccccn1	ZINC22_585097126	327.424	HQGYPPOSGDVQFH-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057421
CC(C)N(C)Cc1ncn2c1CN(C(=O)c1cccnc1)CCC2	PC-id_97519300,ZINC22_96259216,EMOLS-id_44369978	327.424	RKUVRCSSWBYNHF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057422
CC(C)N(C)Cc1ncn2c1CN(C(=O)c1ccncc1)CCC2	PC-id_97519301,ZINC22_96259217,EMOLS-id_44369980	327.424	OGCQXFBZSLQTRY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057423
CCC(=O)N1CCc2ncc(CN(C)Cc3cccnc3)n2CC1	PC-id_97467242,EMOLS-id_44329119,ZINC22_96197099	327.424	XKTWAYUHXMYTIH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057424
CCC(=O)N1CC(CN(Cc2cccnc2)C)Cn2c(C1)ncc2	PC-id_118746924	327.424	LZXNPILUXJCYDT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057425
C[C@H](c1ccccc1)N(C)C(=O)NCc1nnc2n1CCCCC2	PC-id_40034910,ZINC22_32801953,CoCoCo_4790754	327.424	AHXAHRVWFWHDHY-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057426
C[C@@H](c1ccccc1)N(C)C(=O)NCc1nnc2n1CCCCC2	ZINC22_32801955,PC-id_40034912,CoCoCo_4790755	327.424	AHXAHRVWFWHDHY-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057427
CCN(c1ccccc1CNC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319760962	327.424	RFYKGJYYNQDIMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057428
CCNc1cccnc1C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319493324	327.424	KPEUMHIMWJCGIM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057429
CCN(C(c1ccncc1)CC)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278154066	327.424	UHTPCXNRZWYMSB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057430
CC(NC(=O)N1CCCn2c(C1)cc(n2)N)CCc1ccccc1	EMOLS-id_319427300	327.424	CHYSVDQOLUHZQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057431
CC(=O)Nc1ccc(cc1)CN1CCn2c(CC1)nnc2C(C)C	CoCoCo_1641149,CoCoCo_1641148,PC-id_26401214	327.424	SPPADBQOWFZYCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057432
CC(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(c(c1)C)C	ChEMBL-DNDi_CHEMBL12826483	327.424	HIYICPFKEQMMGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057433
Cn1cccc1C(=O)N1Cc2nccn2C[C@H](CN2CCCC2)C1	PC-id_97462807,ZINC22_96188368	327.424	CPCQWSBPSYEGKS-HNNXBMFYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-057434
Cn1cccc1C(=O)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_96188369,PC-id_97462808	327.424	CPCQWSBPSYEGKS-OAHLLOKOSA-N	00000010110000000101000000000010000000000000000000000000	31-01-057435
Cn1cccc1C(=O)N1CCc2ncc(CN3CCCC3)n2CC1	PC-id_97467005,ZINC22_96196861,EMOLS-id_44328655	327.424	NXXWBBAINDMMNT-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-057436
Cn1cccc1C(=O)N1CC(CN2CCCC2)Cn2ccnc2C1	EMOLS-id_44326209	327.424	CPCQWSBPSYEGKS-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-057437
Cn1cccc1C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	ZINC22_96084635,EMOLS-id_46182285,PC-id_97405458	327.424	TYYRQNBDMBOCPV-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-057438
Cn1cccc1C(=O)NCc1cnc2CCN(CC3CC3)CCn12	ZINC22_96197071,EMOLS-id_44329069,PC-id_97467215	327.424	VORNNMXRAPVGCY-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-057439
Cn1cccc1C(=O)NCC1CN(CC2CC2)Cc2ccnn2C1	EMOLS-id_50375349	327.424	SSTPWTVBJIACKH-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-057440
Cn1cccc1C(=O)NC[C@H]1CN(CC2CC2)Cc2ccnn2C1	ZINC22_248148902	327.424	SSTPWTVBJIACKH-HNNXBMFYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-057441
Cn1cccc1C(=O)NC[C@@H]1CN(CC2CC2)Cc2ccnn2C1	ZINC22_248148907	327.424	SSTPWTVBJIACKH-OAHLLOKOSA-N	00100000110000000101000000000010000000000000000000000000	31-01-057442
Cn1nccc1C[C@@H]1CCCN1C(=O)c1cnc2n1CCCCC2	MCULE-1209503611,ZINC22_1551920751,EMOLS-id_317014071	327.424	PXPRMUWLJUUJFX-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057443
Cn1nccc1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCCC3)C1	ZINC22_366971076	327.424	WGITVWLLKMOCLT-CYBMUJFWSA-N	00000000100010000101100000000010000000000000000000000000	31-01-057444
Cn1nccc1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCCCC3)C1	ZINC22_366971077	327.424	WGITVWLLKMOCLT-ZDUSSCGKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-057445
CN(c1ccccc1)C(CNC(=O)C1CCn2c(CC1)nnc2)C	MCULE-6249046309,EMOLS-id_320218599	327.424	KTBKJJLSQKUSJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057446
C(Nc1ccccn1)c1cnc2CCN(CC3CCOC3)CCn12	EMOLS-id_44329167,PC-id_118746783	327.424	OBLWTXJPCLQMBD-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-057447
CN(Cc1ccc(cc1C)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319517476	327.424	YGEJZOBYDOTALV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057448
CN(CC1CN(Cc2n(C1)ccn2)C(=O)NCc1ccccc1)C	PC-id_118744187	327.424	NAQZQURGKBAFPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057449
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CCn2nccc2C1	ZINC22_1857734038	327.424	BDVDCOLNMDMIGO-CYBMUJFWSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057450
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CCn2nccc2C1	ZINC22_1857734039	327.424	BDVDCOLNMDMIGO-ZDUSSCGKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057451
CN(CCc1ccccn1)C(=O)CCc1cc2CNCCCn2n1	PC-id_70740891,MCULE-6762272650,ZINC22_72428678,EMOLS-id_43120131	327.424	LXTLFDYRFVRXEM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057452
CN(C)Cc1cnc2CCN(CCn12)C(=O)NCc1ccccc1	ZINC22_96196815,EMOLS-id_44328561,PC-id_97466960,CHEMBL3554485	327.424	QINFGULJOJMWOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057453
CN(CC(=O)NCc1n[nH]c2c1CCCCC2)Cc1cccnc1	ZINC22_299772183,MCULE-7585580405,PC-id_118765829,EMOLS-id_68880735	327.424	ZRUBCQRTXJUGCR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057454
CN[C@@H](C)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	PC-id_56714679,MCULE-6256971824,EMOLS-id_36449579,ZINC22_67757283	327.424	PBOPDFBSHIBESX-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057455
CN(C(=O)c1cc(ccc1C)NCc1nnc2n1CCCCC2)C	MCULE-2923903138,EMOLS-id_318116948	327.424	UAHFOVJZPNJBJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057456
CN(C(=O)Nc1c(C)cccc1C)Cc1nnc2n1CCCCC2	EMOLS-id_320178927,MCULE-8027092559	327.424	BBXZKMLCZKGPSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057457
Nc1ccc(c(c1)C(=O)NCCCc1nnc2n1CCCCC2)C	PC-id_120645887	327.424	MNHQRELTTIQEEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057458
NC(c1ccccc1)C(=O)NCCCc1nnc2n1CCCCC2	MCULE-4028212756,EMOLS-id_302182868,PC-id_119872035	327.424	VSVFPTPOKWLFFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057459
NCc1ccc(cc1)C(=O)NCCCc1nnc2n1CCCCC2	MCULE-8955899862,EMOLS-id_301949553,PC-id_120341693	327.424	KOSZHQJHNSZZTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057460
NC(C(=O)NCCc1nnc2n1CCCCC2)Cc1ccccc1	MCULE-3872670230,PC-id_119839606	327.424	RIGAMQPKECLPOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057461
O1CCN(CC1)c1cccnc1NCc1cnc2n1CCCCC2	EMOLS-id_318566874,MCULE-5035873057	327.424	HLTBDHBSKIMKJG-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-057462
O1CCN(CC1)c1ccc(nc1)NCc1cnc2n1CCCCC2	EMOLS-id_318584873,MCULE-5888657760	327.424	MCULRLCUCYBWRY-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-057463
O1CCN(CC1)c1ncccc1NCc1cnc2n1CCCCC2	MCULE-8379990290,EMOLS-id_318485527	327.424	LYGZLVRLWNTOPI-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-057464
O=c1cccnn1CC1CN(CC2CCCC2)Cc2nccn2C1	CHEMBL3552838,PC-id_118743338,EMOLS-id_44326581	327.424	KOKNTLJVIJKGAD-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-057465
O=c1cccnn1C[C@H]1CN(CC2CCCC2)Cc2nccn2C1	PC-id_97463171,ZINC22_96188738	327.424	KOKNTLJVIJKGAD-INIZCTEOSA-N	00000010100000100101000000000010000000000000000000000000	31-01-057466
O=c1cccnn1C[C@@H]1CN(CC2CCCC2)Cc2nccn2C1	ZINC22_96188739,PC-id_97463172	327.424	KOKNTLJVIJKGAD-MRXNPFEDSA-N	00000010100000100101000000000010000000000000000000000000	31-01-057467
O=C(C1CCc2n(C1)cc(n2)C)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-3868159473,EMOLS-id_320292695	327.424	NXUWPJNNGDKMTH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057468
O=C(c1ccc(c(c1)NCc1nnc2n1CCCCC2)C)N(C)C	EMOLS-id_318254939,MCULE-9717485452	327.424	QRRBVAIXKZZYHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057469
O=C(c1ccc[nH]1)N1CCc2n(CC1)c(cn2)CN1CCCCC1	PC-id_97467037	327.424	XGYSLNGFYQXHJQ-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-057470
O=C(c1cnc2n1CCCCC2)N1CCC(CC1)Cc1[nH]ncc1	EMOLS-id_320137018,MCULE-3746214919	327.424	JNCNJGMLIULFGX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057471
O=C(c1cnc2n1CCCCC2)NC(C(C)(C)C)c1ncccn1	EMOLS-id_319634716	327.424	GHFMAQGSOJTGKC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057472
O=C(c1cnn(c1)C1CCCC1)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318934113	327.424	BDDCRLBOKWSFAK-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-057473
O=C(c1cnn(c1)CC1CC1)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_318234291	327.424	AROFXDKVZHJTRO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-057474
O=C(c1nn(c(c1)C)C(C1CC1)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101674814	327.424	HMRZGVYUWKMTNS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-057475
O=C(c1n[nH]c2c1CCCCC2)N1CCCC(C1)c1ccnn1C	MCULE-7732710238,EMOLS-id_316045601	327.424	WGITVWLLKMOCLT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-057476
O=C(c1n[nH]c2c1CCCCC2)N1CCC(CC1)Cn1ccnc1	EMOLS-id_319610326	327.424	GKHKAZPATDYGOJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057477
O=C(CC1CCCC1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	ZINC22_96188604,PC-id_97463038	327.424	MLBPKNMFSPKOLL-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057478
O=C(CC1CCCC1)N1Cc2nccn2C[C@H](Cn2cccn2)C1	ZINC22_96188605,PC-id_97463039	327.424	MLBPKNMFSPKOLL-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057479
O=C(CC1CCCC1)N1CC(Cn2cccn2)Cn2ccnc2C1	EMOLS-id_44326445	327.424	MLBPKNMFSPKOLL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057480
O=C(C(c1ccccc1)(N)C)NCCc1nnc2n1CCCCC2	PC-id_120595012	327.424	CXSUTECLEIGLKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057481
O=C(Cc1ccc(cc1)N)NCCCc1nnc2n1CCCCC2	PC-id_119872037	327.424	JRVHUFMRXQIKND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057482
O=C(C(C(c1ccccc1)N)C)NCc1nnc2n1CCCCC2	EMOLS-id_302135443,PC-id_119833820,MCULE-5371825660	327.424	ZPPMZPWBDCTQFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057483
O=C(CC(c1ccccc1)N)NCCc1nnc2n1CCCCC2	EMOLS-id_302013956,MCULE-1414490026,PC-id_119952899	327.424	LXFZBPVDUFJCPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057484
O=C(CCc1ccccc1N)NCCc1nnc2n1CCCCC2	MCULE-3249977492,PC-id_120612212,EMOLS-id_302403901	327.424	BRYUKULICSFGIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057485
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Nc1c(C)cncc1C	EMOLS-id_319368194	327.424	GCRCXBDFXLGVEU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057486
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Cc1cnn2c1CCCC2	EMOLS-id_316665944	327.424	BVKCCWDSPXDMJV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057487
O=C(N1CCc2n(CC1)c(cn2)Cn1cccn1)CC1CCCC1	PC-id_97467121	327.424	RJVZHGYPUCTACV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057488
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(cc1C)N(C)C	EMOLS-id_101947032	327.424	DRTDTQMQYLTSCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057489
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc(cc1)C(C)(C)C	EMOLS-id_319542406	327.424	ZSLPNBSJYXMYBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057490
O=C(N1CCCn2c(C1)cc(n2)N)NCCC(c1ccccc1)C	EMOLS-id_319681481	327.424	SAMMQQPYMVXZHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057491
O=C(N1CCn2c(nnc2CCc2ccccc2)CC1)C(NC)C	PC-id_76405531	327.424	PBOPDFBSHIBESX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057492
O=C(N(C(c1ccccc1)C)C)NCc1nnc2n1CCCCC2	PC-id_42954245,EMOLS-id_25668171,MCULE-5977459838	327.424	AHXAHRVWFWHDHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057493
O=C(NCc1ccc(cc1)C)NCCc1nnc2n1CCCCC2	CoCoCo_4704510,PC-id_45807630,EMOLS-id_29629555,MCULE-5894976658	327.424	IIUFTSAVWVJSIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057494
O=C(N(Cc1n2CCCCCc2nn1)c1cc(ccc1)C)NCC	PC-id_7566040	327.424	LZKZCBGEJHEHOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057495
O=C(N(Cc1n2CCCCCc2nn1)c1c(cccc1)C)NCC	PC-id_7566090	327.424	HAQBCAXVLZYPFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057496
O=C(N(C(C)C)Cc1cc(ccc1)C)C1CCCCn2nnnc12	PC-id_46986190	327.424	IMDLZPDTVOZRMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057497
Cc1cc(c(s1)S(=O)(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102028640	327.426	OVOIZMFYYQYNNU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057498
Cc1sc(cc1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028505	327.426	HJCUSUQAUWIDRM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057499
CCn1ncc(n1)S(=O)(=O)Nc1nc2c(s1)CCCCC2	MCULE-2589367059,EMOLS-id_320173949	327.426	DSRZSZWRFJEZFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057500
C1CC[C@H](CN1)c1ncnc(c1)NCc1nnc2n1CCCCC2	CoCoCo_1620868	327.427	OYNSMPDQSSODSX-CYBMUJFWSA-N	00000000100010100101100000000010000000000000000000000000	31-01-057501
C1CC[C@@H](CN1)c1ncnc(c1)NCc1nnc2n1CCCCC2	CoCoCo_1620869	327.427	OYNSMPDQSSODSX-ZDUSSCGKSA-N	00000000100010100101100000000010000000000000000000000000	31-01-057502
C1CCN(CC1)c1nccc(n1)NCc1nnc2n1CCCCC2	MCULE-8892747947,EMOLS-id_318214034	327.427	VJCCZQGHVNZAOO-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-057503
C1CCN(CC1)c1ncnc(c1)NCc1nnc2n1CCCCC2	EMOLS-id_318373546,MCULE-5782461321	327.427	BPAANHWMOWOUHG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-057504
c1cnc(N2CCCN(Cc3cc4n(n3)CCCNC4)CC2)nc1	PC-id_56884484,EMOLS-id_43066921,ZINC22_72127492,MCULE-7142169463	327.427	NUFOEBOONOKXKW-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-057505
c1nc(N2CCCC2)ncc1CNCc1nnc2n1CCCCC2	EMOLS-id_36920720,ZINC22_48682979,PC-id_56814813,MCULE-7421860608	327.427	QRBUTXOXJUJZQQ-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-057506
CCNC(=NCc1ccccn1)NCc1nnc2n1CCCCC2	PC-id_110970367	327.427	UKQSGTSUMMGNFA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057507
CN=C(NCc1ccccn1)NCCc1nnc2n1CCCCC2	PC-id_110970945	327.427	UGOGVFQYIHTGQV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057508
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccccn1	PC-id_111192484	327.427	BNPLYTHNFRTNGJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057509
N1CC(CCC1)c1ncnc(NCc2n3CCCCCc3nn2)c1	PC-id_45248576	327.427	OYNSMPDQSSODSX-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-057510
NC(=NCCc1nnc2n1CCCCC2)NCCc1ccccn1	PC-id_111039175	327.427	KAIFCFFSJROMCI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057511
Fc1ccc(C(C2CCC2)(c2n3CCCCCCc3nn2)C)cc1	PC-id_60093436	327.439	AUADBAUVSQWMRH-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-057512
c12-c(cc(ccc1C)C(C)C)c(cc2C=C(C#N)S(=O)(=O)C)C	PC-id_2741006,MCULE-9206840363	327.441	AANYXOAZGLBFRK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057513
Cc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)C)CCCCC2	PC-id_142929744	327.441	OVJFCPXPSZFBGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057514
CC(C)c1ccc(C)c2-c(c(cc2/C=C(/C#N)S(=O)(=O)C)C)c1	EMOLS-id_26478495,CK3179739	327.441	AANYXOAZGLBFRK-MFOYZWKCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057515
COc1ccccc1C1(CC1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318126894	327.441	YJZQXCCGNZNRQX-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-057516
COc1cccc(c1)C1(CC1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318283307	327.441	AYEYZOKSEORZRE-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-057517
CS(=O)(=O)NC=C(c1ccc2-c1ccccc2)C1=CCCCC1	PC-id_142734117	327.441	RUFIHWZIAUNFBK-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-057518
CS(=O)(=O)N/C=C(/C1=CCCCC1)c1c2-c(ccccc2)cc1	PC-id_134950658	327.441	RUFIHWZIAUNFBK-RGEXLXHISA-N	00000010100011000110000000000010000000000000000000000000	31-01-057519
s1c2CCCCCCc2cc1C(=O)Nc1ccc(cc1)C(=O)C	PC-id_60385493	327.441	IYZJFRVSECITOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057520
s1c2CCCCCCc2cc1C(=O)Nc1cc(ccc1)C(=O)C	PC-id_9095669	327.441	APKSKIPLKHLKKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057521
S(=O)(=O)(/C(=C/c1c2-c(c(c1)C)cc(C(C)C)ccc2C)/C#N)C	PC-id_5937455	327.441	AANYXOAZGLBFRK-RQZCQDPDSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057522
c1(C(O)C2CCC2)cc2n(CCCN(CCS(=O)(=O)C)C2)n1	PC-id_91763667,EMOLS-id_55613079,MCULE-9786814106	327.442	JIRZWPDHGMZWIN-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-057523
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CCC1CCOCC1	EMOLS-id_318899357	327.442	WLLVCKYVOPIRGB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057524
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CCCC1COCC1	EMOLS-id_319657464	327.442	BCPBZERAMGCNSC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057525
CC1CCC(O1)CS(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319791417	327.442	MBTLHKYDNQGMRC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057526
CC(C)CCNC(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317416795,MCULE-9948830996	327.442	HDGLCPLXTXCEMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057527
CCC(C)(C)NC(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	MCULE-9870326078,EMOLS-id_317417310	327.442	PBCNHPVVGSRKFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057528
CCCS(=O)(=O)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	PC-id_97389596,ZINC22_96067279	327.442	DQXKSVJVPVMKFY-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-057529
CCCS(=O)(=O)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_96067278,PC-id_97389595	327.442	DQXKSVJVPVMKFY-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-057530
CCCS(=O)(=O)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_46160921	327.442	DQXKSVJVPVMKFY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-057531
CCOC(C1CC1)CS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-7911429982,EMOLS-id_320101291	327.442	WPZXIVISSJPZRG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-057532
CCO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318776015	327.442	AUCVNGOMFDNJTD-CABCVRRESA-N	00000010100000000101000000000010000000000000000000000000	31-01-057533
CCS(=O)(=O)CCN1Cc2cccn2C[C@H](CC(=O)NC)C1	ZINC22_585099189	327.442	SHISJDUYRRIRRE-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057534
CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](CC(=O)NC)C1	ZINC22_585099190	327.442	SHISJDUYRRIRRE-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057535
CCS(=O)(=O)CCN1CC(CC(=O)NC)Cn2cccc2C1	EMOLS-id_313809455	327.442	SHISJDUYRRIRRE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057536
Cn1ncc2c1CCCN(C2)S(=O)(=O)CC1OCCC1(C)C	MCULE-1798127063,EMOLS-id_320207896	327.442	ITMQCZAPBBINNP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057537
COCC1(CCC1)CS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319079023	327.442	GIPKNBJZBNNHOB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-057538
OC1CCCC(C1)CS(=O)(=O)Cc1nnc2n1CCCCC2	EMOLS-id_100634888	327.442	LXBRAZPXIFVCLV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057539
OC1CCC(CC1)CS(=O)(=O)Cc1nnc2n1CCCCC2	EMOLS-id_100736634	327.442	BNJVVVNRRYTGPL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057540
O[C@H](c1nn2c(c1)CN(CCC2)CCS(=O)(=O)C)C1CCC1	PC-id_100019661	327.442	JIRZWPDHGMZWIN-HNNXBMFYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-057541
O[C@@H](c1nn2c(c1)CN(CCC2)CCS(=O)(=O)C)C1CCC1	PC-id_100019664	327.442	JIRZWPDHGMZWIN-OAHLLOKOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-057542
CCc1ncc2c(n1)CN(C(=O)c1cc3c(s1)CCCCC3)C2	MCULE-1145310912,ZINC22_67674334,PC-id_56742835,EMOLS-id_36575094	327.444	IHOHYQASZRGRIK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057543
C[C@H](c1nn2c(c1)CN(CCC2)Cc1csc2c1cccc2)O	PC-id_99970288	327.444	RTJYGVAHPULVCW-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057544
C[C@@H](c1nn2c(c1)CN(CCC2)Cc1csc2c1cccc2)O	PC-id_99970290	327.444	RTJYGVAHPULVCW-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057545
C/C(=NNC(=O)c1cc2CCCCCc2s1)/c1ccc(N)cc1	EMOLS-id_337929518	327.444	JATNQJOYSGCKQF-UDWIEESQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057546
CC(=NNC(=O)c1sc2c(CCCCC2)c1)c1ccc(N)cc1	MCULE-4706626811,PC-id_78630923,EMOLS-id_44515122	327.444	JATNQJOYSGCKQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057547
CC(O)c1cc2CN(Cc3csc4ccccc34)CCCn2n1	PC-id_91759910,MCULE-4389039948,EMOLS-id_55602526	327.444	RTJYGVAHPULVCW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057548
CC(=O)Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1	PC-id_19985863,SCHEMBL7294846	327.444	DHRCTOGOTDELRH-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057549
N#Cc1c(sc2c1CCCCCC2)NC(=O)C1(C#N)CCCC1	EMOLS-id_110431614	327.444	CVTKGFHCMGQJIW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-057550
O=C(C1CC1c1cccnc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_44561207,MCULE-9973284176,PC-id_49330895	327.444	SFRICFVJCDHCRS-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-057551
O=C(c1cc2c(s1)CCCCC2)N1CCC(C1)c1cnccn1	EMOLS-id_318853869	327.444	QTLOSHFBVXJXJU-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-057552
O=C(C1CCc2c1nccc2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98771489	327.444	TWEMBMOADJUTLG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057553
O=C(c1cccnc1C1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99324451	327.444	GUTISHJXXJKKKA-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-057554
O/C(=CSc1nnc2n1CCCCC2)/c1ccc2c(c1)CCC2	CoCoCo_3081498,CoCoCo_3081501	327.444	OODDHGNVRPPFJP-VBKFSLOCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057555
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccc2c(c1)CCC2	CoCoCo_3081500,CoCoCo_3081499	327.444	OODDHGNVRPPFJP-FOWTUZBSSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057556
O=C(CSc1nnc2n1CCCCC2)c1ccc2c(c1)CCC2	ZINC22_6097212,PC-id_7876740,CoCoCo_3081497,EMOLS-id_3519664,MCULE-9421789646	327.444	NBCSQNGLIWEBDJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057557
O=C(N1CCCc2c(C1)ccs2)c1ccc(nc1)NCC1CC1	EMOLS-id_318302861,MCULE-5990059404	327.444	VUCCMZKWXKNRFS-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-057558
O=C(N1CCCCc2c1ccs2)c1ccc(nc1)NCC1CC1	EMOLS-id_318253717,MCULE-9188002148	327.444	YVOLCCSLSMOQLM-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-057559
O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1C[C@@H]1c1cccnc1	PC-id_94346810,ZINC22_50341533	327.444	SFRICFVJCDHCRS-ZIAGYGMSSA-N	00100000100000101101100000000010000000000000000000000000	31-01-057560
O=C(Nc1nc2c(s1)CCCCCC2)[C@H]1C[C@H]1c1cccnc1	ZINC22_50341524,PC-id_94346806	327.444	SFRICFVJCDHCRS-KBPBESRZSA-N	00100000100000101101100000000010000000000000000000000000	31-01-057561
O=C(Nc1nc2c(s1)CCCCCC2)[C@H]1C[C@@H]1c1cccnc1	ZINC22_50341528,PC-id_94346807	327.444	SFRICFVJCDHCRS-KGLIPLIRSA-N	00100000100000101101100000000010000000000000000000000000	31-01-057562
O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1C[C@H]1c1cccnc1	ZINC22_50341531,PC-id_94346809	327.444	SFRICFVJCDHCRS-UONOGXRCSA-N	00100000100000101101100000000010000000000000000000000000	31-01-057563
s1c2CCCCCc2cc1C(=O)N/N=C(c1ccc(N)cc1)/C	PC-id_8197238	327.444	JATNQJOYSGCKQF-NDENLUEZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057564
s1c2CCCCCc2cc1C(=O)NN=C(c1cc(N)ccc1)C	PC-id_78610996	327.444	MYOOOBFZZYORGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057565
s1c2CCCCCc2cc1C(=O)N/N=C(c1cc(N)ccc1)/C	PC-id_8129768	327.444	MYOOOBFZZYORGR-NDENLUEZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057566
s1c2CCN(CCc2nc1NC(=O)C)CC=Cc1ccccc1	PC-id_53760734	327.444	DHRCTOGOTDELRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057567
CC1(CCCCC1)CS(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028526	327.446	GKGQNJZMRAADSU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057568
CC1CCCC(C1)CS(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319337423	327.446	MPDDNMXXKIXOLZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057569
CC1CC(C)CC(C1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_318953926	327.446	GLOZKNXXBFXTMI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057570
CC(C)N(C)Cc1nnc2CCN(CCn12)S(=O)(=O)C1CC1	PC-id_97381618,EMOLS-id_46148221,ZINC22_96058962	327.446	FNCJXWCDHDTMDD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-057571
CCNS(=O)(=O)C1CCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_110705925	327.446	MVIYRBJRLXRZSZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057572
CCS(=O)(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	EMOLS-id_110640256,PC-id_136578733,MCULE-3060506044,ZINC22_53645626	327.446	UZIOFVFSZMUIGV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057573
CN1CCN(CC1)S(=O)(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_222772711,ZINC22_670454407,MCULE-7106350069	327.446	YOTIJQIDYWJLIX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057574
CN(C(C)C)Cc1nnc2n1CCCN(C2)S(=O)(=O)C1CC1	PC-id_97405574	327.446	GTPPWKPDHYFJRU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-057575
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@H](CN2CCCC2)C1	ZINC22_306142538	327.446	XCMFELGREQPSKP-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057576
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@@H](CN2CCCC2)C1	ZINC22_306142539	327.446	XCMFELGREQPSKP-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057577
CN(C)S(=O)(=O)N1CCc2ncc(CN3CCCC3)n2CC1	EMOLS-id_313782219,ZINC22_1251064592	327.446	UBRZSKVCCMQWFV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057578
CN(C)S(=O)(=O)N1CC(CN2CCCC2)Cn2nccc2C1	EMOLS-id_50376855	327.446	XCMFELGREQPSKP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057579
CNS(=O)(=O)CC1CCCN1Cc1nnc2n1CCCCC2	EMOLS-id_111703790	327.446	ZUQCSQALFGPYIX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057580
CS(=O)(=O)N1CCCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_110955302	327.446	LQQHSPPIGYIMAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057581
CS(=O)(=O)N1CCCN(Cc2cc3CNCCCn3n2)CC1	ZINC22_72151734,MCULE-5252028644,EMOLS-id_43145544,PC-id_56905254	327.446	XKWPWJHQIUFMFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057582
CS(=O)(=O)NC1CCN(Cc2cc3CNCCCn3n2)CC1	MCULE-7900561026,ZINC22_72149843,PC-id_56903936,EMOLS-id_43141512	327.446	QSYYZMRMIGZIBQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057583
O=S(=O)(NC1CCn2c(CC1)nnn2)CCC1CCCCC1	EMOLS-id_102028649	327.446	OWFZNFPLWATYQG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057584
S(=O)(=O)(N1CC(CCC1)C)NCc1n2CCCCCc2nn1	PC-id_53503744	327.446	WAZQOGGYGLLOQK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057585
Cc1ccc(CN2Cc3nccn3C[C@H](Cn3cccn3)C2)s1	ZINC22_96188540,PC-id_97462974	327.447	SQVUAJSHBIRQBV-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057586
Cc1ccc(CN2Cc3nccn3C[C@@H](Cn3cccn3)C2)s1	ZINC22_96188541,PC-id_97462975	327.447	SQVUAJSHBIRQBV-HNNXBMFYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057587
Cc1ccc(CN2CCc3ncc(Cn4cccn4)n3CC2)s1	ZINC22_96196937,EMOLS-id_44328803,PC-id_97467081	327.447	VWLGKYUNYKRWJF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057588
Cc1ccc(CN2CCc3nnc(Cn4cccc4)n3CC2)s1	EMOLS-id_44371288,PC-id_97519955,ZINC22_96259874	327.447	KIYLFWJSYMZDKV-UHFFFAOYSA-N	00000000110100000101000000000010000000000000000000000000	31-01-057589
Cc1ccc(CN2CC(Cn3cccn3)Cn3ccnc3C2)s1	PC-id_118744384,EMOLS-id_44326383	327.447	SQVUAJSHBIRQBV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057590
CN(Cc1cc2CNCCCn2n1)Cc1nc2ccccc2s1	MCULE-9069297207,EMOLS-id_43142198,PC-id_56904170,ZINC22_72150059	327.447	XCEMJXNGVWDTIZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057591
CN(CC(OC(=O)Cc1ccc(cc2-c1cc(c2)C)C(C)C)C)C	PC-id_110174496	327.46	YEQFSIANADUUNL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057592
O(C(=O)c1c2-c(c(CCCCCCN)c1)cccc(c2)C(C)C)C	PC-id_10042111	327.46	FPPFPNFZBIYUTI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057593
O(C(=O)c1c2-c(c(CCCCCCN)c1)ccc(C(C)C)cc2)C	PC-id_10042110	327.46	AOGLUICULLFQSP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057594
C[C@]1(NC(=O)c2cc3c(s2)CCCCC3)CCS(=O)(=O)C1	ZINC22_40460740,PC-id_51980792,CoCoCo_3643842	327.462	OWJZLDSGTNWNEP-HNNXBMFYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-057595
C[C@@]1(NC(=O)c2cc3c(s2)CCCCC3)CCS(=O)(=O)C1	ZINC22_40460741,CoCoCo_3643841,PC-id_51980793	327.462	OWJZLDSGTNWNEP-OAHLLOKOSA-N	00000010100000000100000000000010000000000000000000000000	31-01-057596
C#Cc1c(/C=C/2CC(c3c2cccc3)(C)C)c2c(n1C)CCCC=C2	PC-id_142301801	327.462	AYCXAWARVZISKJ-BMRADRMJSA-N	00000010100000100110000000001010000000000000000000000000	31-01-057597
Cn1ccc2=CC=CC(C=c12)/C=CC1=C(C)c2c(C1(C)C)cccc2	PC-id_144645201	327.462	CNRQBBMUOIJGPU-SEYXRHQNSA-N	00000011100000100110000000001010000000000000000000000000	31-01-057598
CN(C(=O)c1cc2c(s1)CCCCC2)C1CCS(=O)(=O)C1	MCULE-7699410921,PC-id_17476185,EMOLS-id_13559756	327.462	RLGJAHACMFXCPS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-057599
CN(C(=O)c1cc2c(s1)CCCCC2)[C@@H]1CCS(=O)(=O)C1	CoCoCo_4196823,PC-id_26005993,ZINC22_14240213	327.462	RLGJAHACMFXCPS-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-057600
CN(C(=O)c1cc2c(s1)CCCCC2)[C@H]1CCS(=O)(=O)C1	CoCoCo_4196824,ZINC22_14240215,PC-id_26005994	327.462	RLGJAHACMFXCPS-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-057601
O=C(c1cc2c(s1)CCCCC2)NC1CCCS(=O)(=O)C1	EMOLS-id_99211956	327.462	VSYPKNNBMIUIBM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-057602
O=C(c1cc2c(s1)CCCCC2)NC1(C)CCS(=O)(=O)C1	PC-id_45794454,EMOLS-id_29955916,MCULE-3061126802	327.462	OWJZLDSGTNWNEP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-057603
O=C(c1cc2c(s1)CCCCC2)NC1CCS(=O)(=O)CC1	EMOLS-id_110966124	327.462	RALSRIVEASCEPL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-057604
O=C(c1cc2c(s1)CCCCC2)NCC1CCCS1(=O)=O	EMOLS-id_100442097	327.462	XWRUASPGRCFVGC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-057605
O=C(c1cc2c(s1)CCCCCC2)N1CCS(=O)(=O)CC1	PC-id_51108712,MCULE-6367999692,ZINC22_57794848,EMOLS-id_32173697	327.462	BOBLVGVRIYDLBA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057606
O=C(c1sc2c(c1)CCCCCC2)NC1CCS(=O)(=O)C1	MCULE-1734718869,EMOLS-id_24046591,PC-id_45835926	327.462	ZLLHVFJCJFSPHW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-057607
O=C(N1CCC(C1)S(=O)(=O)C)c1cc2c(s1)CCCCC2	EMOLS-id_110250588	327.462	DUDURBVPPQTNLZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-057608
O=C(N1CCS(=O)(=O)C(C1)C)c1cc2c(s1)CCCCC2	EMOLS-id_111078708	327.462	IJVHLPWFGJJMKK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057609
O=C(N[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCCC2	CoCoCo_3926504,ZINC22_17635178,PC-id_27710092	327.462	ZLLHVFJCJFSPHW-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-057610
O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCCC2	ZINC22_17635176,CoCoCo_3926503,PC-id_27710091	327.462	ZLLHVFJCJFSPHW-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-057611
OC(=O)CSCCNC(=O)c1sc2c(c1)CCCCCC2	PC-id_119241367	327.462	VCNIRIHSNAIRQT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057612
s1c2CCCCCc2cc1C(=O)NC(CCSC)C(=O)O	PC-id_43081985	327.462	BHCLOYYNSYSXQU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057613
s1c2CCCCCc2cc1C(=O)N[C@@H](CCSC)C(=O)O	PC-id_29789728	327.462	BHCLOYYNSYSXQU-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-057614
c12CN(CCCn1nc(C)c2)Cc1ccc(cc1)CCC(C)(C)O	ZINC22_72436041,MCULE-8170771648,EMOLS-id_43075575,PC-id_70716199	327.464	QYZSPJOHBSWLMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057615
O=C(Nc1nc2c(s1)CCCCC2)NCC1(O)CSCC1	EMOLS-id_111456106	327.465	RWKRJWNHEFNJRF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057616
Cc1c2c(cn([nH]cc1)C)nc(n2C)CC(=C)NCC1(CCC1)C	PC-id_135143105,SCHEMBL20290201	327.467	ACCIXDSOYWEEFH-UHFFFAOYSA-N	00001000100000000111000000000010000000000000000000000000	31-01-057617
CCC(c1nnc2n1CCCCC2)NC(c1ccc(nc1C)C)C	EMOLS-id_318114614	327.467	LTVJVOLUAKMRPW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057618
CC(CC(c1ccccn1)NCCc1nnc2n1CCCCC2)C	EMOLS-id_48265961,PC-id_75382553,MCULE-9652585627	327.467	UPSCSZLFHWALLC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057619
CC(C)Cc1ncc(cc1)CNC(C)c1nnc2n1CCCCC2	PC-id_136568982	327.467	OATQORXDBFAQSS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057620
CC(C)C[C@H](NCCc1nnc2n1CCCCC2)c1ccccn1	ZINC22_95419789,PC-id_97229600	327.467	UPSCSZLFHWALLC-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057621
CC(C)C[C@@H](NCCc1nnc2n1CCCCC2)c1ccccn1	ZINC22_95419790,PC-id_97229601	327.467	UPSCSZLFHWALLC-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057622
C(c1c2-c(c(c1)C#C[C]1[CH][CH][CH][CH]1)ccc(C(C)(C)C)cc2)(C)(C)C	PC-id_71725372	327.482	WGYHUOGVOICYJE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057623
c1(csc2CCCCCc12)C(=O)NC(C)CCc1ccccc1	EMOLS-id_16062835,PC-id_20881865,MCULE-4691734417	327.484	FMSQXSOEZLWUTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057624
c1(csc2CCCCCc12)C(=O)NC(CC)Cc1ccccc1	PC-id_16010570,MCULE-4895525889,EMOLS-id_16062843	327.484	GJCMGZCMYFPVLJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057625
CC[C@H](NC(=O)c1csc2c1CCCCC2)Cc1ccccc1	CoCoCo_2171572,PC-id_92251994	327.484	GJCMGZCMYFPVLJ-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057626
CC[C@@H](NC(=O)c1csc2c1CCCCC2)Cc1ccccc1	PC-id_92251995,CoCoCo_2171573	327.484	GJCMGZCMYFPVLJ-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057627
C[C@@H](NC(=O)c1csc2c1CCCCC2)CCc1ccccc1	CoCoCo_2171568,PC-id_92251993	327.484	FMSQXSOEZLWUTH-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057628
C[C@H](NC(=O)c1csc2c1CCCCC2)CCc1ccccc1	PC-id_92251992,CoCoCo_2171569	327.484	FMSQXSOEZLWUTH-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057629
s1c2CCCCCc2cc1C(=O)Nc1c(CC)cccc1CC	PC-id_24392892	327.484	CKEDBGACXBQFSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057630
s1c2CCCCCc2cc1C(=O)Nc1c(C(C)C)cccc1C	PC-id_7919899	327.484	KZEGGTSBECFVAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057631
s1c2CCCCCc2cc1C(=O)Nc1c(C(CC)C)cccc1	PC-id_78572437	327.484	RRUHCSZYJZKWPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057632
s1c2CCCCCc2cc1C(=O)Nc1c([C@@H](CC)C)cccc1	PC-id_7936173	327.484	RRUHCSZYJZKWPT-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057633
s1c2CCCCCc2cc1C(=O)Nc1c([C@H](CC)C)cccc1	PC-id_7936174	327.484	RRUHCSZYJZKWPT-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057634
s1c2CCCCCc2cc1C(=O)N(Cc1c(cc(cc1)C)C)C	PC-id_18230375	327.484	NRMLPZWYZYRZDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057635
CCC/C(=Cc1ccccc1)/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7284725	327.487	ORSHWNLXWJMWKT-DTQAZKPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057636
CCCC(=Cc1ccccc1)CN1CCc2c(CC1)sc(n2)N	PC-id_88123706	327.487	ORSHWNLXWJMWKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057637
CCC(C[N@H+]1CCc2n(CC1)c(nn2)CCc1ccccc1)CC	GD-id_ZINC12333662	327.487	MROKQVNNGFBCGM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-057638
CCN(c1ccc(cc1)/C=C/c1nc2c(s1)NCCCC2)CC	PC-id_15069564,SCHEMBL8315038	327.487	PKUOZBBYICEDGL-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057639
s1c2NCCCCc2nc1C=Cc1ccc(N(CC)CC)cc1	PC-id_54194440	327.487	PKUOZBBYICEDGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057640
OCC(C(NC(=O)c1sc2c(c1)CCCCCC2)C)SC	PC-id_103799073	327.505	JTGAOGPKJWBYFH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057641
OCCCSCCNC(=O)c1sc2c(c1)CCCCCC2	PC-id_103767572	327.505	VLIJOKXZGOVTJL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057642
C1CCCCCC(CCCC1)Cn1c2c(CCCCC2)c(n1)C#N	SCHEMBL15099975,PC-id_89681952	327.507	GNRDHMBXZPSJBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057643
CCN(CCCCc1ccccc1)C1CCc2ccsc2CC1	CHEMBL4641623	327.527	OYGHKCXDQJIARA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057644
S(CC(CCC)(CCC)CS)c1n2CCCCCc2nn1	PC-id_80036438	327.552	LMVUVLPELNPQEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057645
SCCCCCCCCCSc1nnc2n1CCCCC2	PC-id_105344721	327.552	SKBUPPCBRCCBSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057646
Clc1cc2NC(=O)C(I)CCc2s1	MCULE-3666370335,EMOLS-id_317497857,SCHEMBL19228584	327.57	CIMZTFFUWFOIAB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057647
O=C(c1ccc(c(c1F)Cl)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102180972	327.717	GVDRCSXICWSPHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057648
O=C(c1cc(F)c(cc1Cl)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102170000	327.717	VKAQMWOHDCMICA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057649
O=C(c1cc(F)c(cc1F)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102181026	327.717	ZOGMDUQVASSSEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057650
CCOC(=O)N1CCc2c(CC1)c(c(s2)C(F)(F)F)Cl	SCHEMBL2994557,PC-id_68469945	327.75	RCDJPRWJGHATMH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057651
Cc1cccc(c1Cn1c(=O)c(c2-c1ccccc2)C(=O)O)Cl	SCHEMBL14584130,PC-id_71210491	327.762	XIIYNAKMMZSKGP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-057652
CCC(C(CNC(=O)c1cc2c(s1)CCCCC2)Cl)CC	PC-id_106287431	327.912	DBBWRUSWAVSQGV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057674
Clc1ccc(c(c1)C)Cn1c(=O)c(c2-c1ccccc2)C(=O)O	PC-id_58796830,SCHEMBL5434266	327.762	VXUFIFLUEVJFFV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-057653
O=S1(=O)CCc2nnc(COc3ccc(Cl)cc3)n2CC1	EMOLS-id_313167425,MCULE-4438643734,ZINC22_630950391	327.787	BIATZJXHXBQTPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057654
Clc1ccc(cc1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026479	327.79	SKCXMANBBQYIRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057655
Clc1cccc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026506	327.79	PKBDZMYCHIOERU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057656
Clc1ccccc1S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026542	327.79	BPLGDOHHIVAJDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057657
O=C(NCc1nnc2n1CCCCC2)c1snc(O)c1Cl	ZINC22_670453514,EMOLS-id_316859697,MCULE-6937624506	327.79	IPMUCLCHEGXSLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057658
Nc1cc(N)c(c(c1Sc1nnc2n1CCCCC2)F)Cl	PC-id_103553848	327.808	HCQMMPKMXOJSSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057659
c12C(=O)NCCCc1nc(NC(=O)c1ccc(Cl)s1)s2	EMOLS-id_50139233,ZINC22_211130101,PC-id_72719995,MCULE-8375771876	327.81	XAJIMQIFFWBTDU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057660
Clc1ccc(n2cccc2CN2CCCn3cncc3C2)nc1	PC-id_56882258,EMOLS-id_43057926,ZINC22_72121911,MCULE-6994899833	327.811	LLEIRYONPWXTMH-UHFFFAOYSA-N	00000000110000101101100000000010000000000000000000000000	31-01-057661
Clc1cc(F)c(cc1C(c1cc2c(s1)CCCCC2)N)F	PC-id_107476053	327.82	KITRNLMPELKAOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057662
c12ccsc1SCCN(Cc1c(cccc1Cl)F)C2=O	MCULE-2112148996,PC-id_1488892,CHEMBL1605772,ZINC22_1403644,ChEMBL-DNDi_CHEMBL1605772,EMOLS-id_27503850	327.825	GIDKCQUCTRGKTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057663
c1(c(C)sc(Cl)n1)C(=O)/N=c/1sc2c(CCCCC2)[nH]1	ZINC22_96223886,STOCK7S-45828,MCULE-4023547857,EMOLS-id_49246182,EMOLS-id_50400578,PC-id_75357150	327.853	BUJMLUYTYXITMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057664
Clc1ccc(s1)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3082262,CoCoCo_3082265	327.853	FXZHASPRUSVQPG-HJWRWDBZSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057665
Clc1ccc(s1)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3082263,CoCoCo_3082264	327.853	FXZHASPRUSVQPG-CMDGGOBGSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057666
O=C(c1scnc1Cl)Nc1sc2c(n1)CCCCCC2	GD-id_ZINC48945290	327.853	QDSMEMJWHSQVOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057667
O=C(CSc1nnc2n1CCCCC2)c1ccc(Cl)s1	EMOLS-id_11723033,ZINC22_6098436,MCULE-3829171274,PC-id_7877611,CoCoCo_3082261	327.853	QUALVXOVJSUASZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057668
CSc1nc(cc(n1)Cl)Sc1nnc2n1CCCCC2	PC-id_112724610	327.856	UQQNTUMNLYXBKL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057669
ClCC1(CCOCC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_106300668	327.869	FOFUYVSAWYQHKP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-057670
ClCC1OC(C)CN(C1)C(=O)c1cc2c(s1)CCCCC2	PC-id_102937451	327.869	QDQHLYZJLCKIFY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057671
ClCC1OCC(N(C1)C(=O)c1sc2c(CCCCC2)c1)C	PC-id_81213660	327.869	KMQODOZSSQDZGZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057672
CCCC(CNC(=O)c1cc2c(s1)CCCCC2)CCCl	PC-id_106117634	327.912	XMOAOJLRAJSICE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057673
CCC(CNC(=O)c1cc2c(s1)CCCCC2)(CCl)CC	PC-id_106253812	327.912	UMYBRGUKMLXRIZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057675
ClCCC(C(C)(C)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_106355726	327.912	MSRAMLOYLKFWCB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057676
ClC(CC(C)(C)C)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_107157109	327.912	XLASCZIKJBHFPQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057677
ClCCCC(CNC(=O)c1cc2c(s1)CCCCC2)(C)C	PC-id_106144614	327.912	OGUREGWXZZEXEE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057678
ClCCN(C(CC)CC)C(=O)c1sc2c(CCCCC2)c1	PC-id_63398216	327.912	PRKHDYLSLWMMLH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057679
BrC1CCCc2n(cc(c2C1=O)C(=O)OC)B(O)C	PC-id_20605544	327.967	AQYTWXJMPIGRKW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057680
Brc1c2-c(c(c1)C(=O)CBr)ccccc2	PC-id_10936333	327.999	ODMWKNYSSUITOG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057681
c1ccc2-c(c(cc2)C(=O)C(Br)Br)cc1	PC-id_134822123	327.999	IFYXOFDKXFYXGC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057682
Brc1sc(Br)c2OCCCCOc12	SCHEMBL14748824,PC-id_71286997	328.021	JUFCWGCSFACZKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057683
[B]c1c(sc2c1C(CN(CC2)C(=O)OCC)C)Br	PC-id_89346088	328.033	BACWKLIEHHCVRG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057684
CC1=CC2=C(S1)CCN(CC2)C(C)C3=CC4=C(C=C3)SC=N4	PC-id_154685738	328.107	RPVKRNPRAUEMEW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057685
CCOC(=O)C1=C2C(=CN1C)S(=O)(=O)NC(CO2)(C)CC=C	PC-id_154682295	328.109	SQLRFKXSOKSVIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057686
C1CCC2=C(CC1)SC=C2C(=O)NNC(=O)CC3=CC=CC=C3	PC-id_161126121	328.125	ULORMKVDOACZRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057687
CC1=CC(=CC(=C1)F)COC(=O)N2CCCN3C(=CC(=N3)C#N)C2	PC-id_161760515	328.134	XNOMPANUGFJVKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057688
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CN(N=C4C(C3)O)C	PC-id_154685715	328.136	FGJKGSWEOIDWRE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057689
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=NN(C=C4C(C3)O)C	PC-id_154685653	328.136	RNKZQDLLXBNLRF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057690
C1CCC2=NN=C(N2CC1)CNS(=O)(=O)CC[C@H]3CCOC3	ZINC22_328714895,PC-id_164633530	328.157	DFKXDKSVQOOFBO-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057691
CS(=O)(=O)N(CCC1CCC1)CC2=NN=C3N2CCOCC3	PC-id_154786238,EMOLS-id_317749966,MCULE-4873063911	328.157	NJRYGNNUCXGIOA-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-057692
Brc1c(=O)c2onc(c2ccc1)/C=C/c1ccccc1	PC-id_14415381	328.16	JKFYYSFRYALWGU-MDZDMXLPSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057693
Brc1c(=O)c2onc(c2ccc1)C=Cc1ccccc1	PC-id_72731141	328.16	JKFYYSFRYALWGU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057694
CC(C)(C)[Si](C)(C)C1=C(C2=CC=CC=CC2=C1/C=NO)/C=NO	PC-id_149258886	328.161	XOVXPVPLVFZANG-YZLQMOBTSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057695
CC1=NC2=C(S1)CCN(CC2)C(C)C3=CC(=NC)C(=NC)C=C3	PC-id_154685726	328.172	FOEGFQABAAWAOJ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-057696
CO[C@H]1CN(CCC2=NNN=C2[C@@H]1OC)C(=O)CCC(O)OC	PC-id_147776216	328.175	HGWSMCDOGUNCDU-RCYCPFCNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057697
Brc1cnsc1C(=O)N1CCCn2c(C1)cnn2	MCULE-8417599340,EMOLS-id_320293679	328.188	IGQLCONJWSLNPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057698
Brc1c2C(CNCCc2sc1CC(F)(F)F)C	PC-id_24783107,SCHEMBL1181999	328.192	ANHJXWNMFZYDBY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057699
C[I]=C/C=CC1=C(C)Cn2c(CN1)ccc2	PC-id_143333346	328.192	NZYINBVDNIZAFX-UTCJRWHESA-N	00000000100000000111000000000010000000000000000000000000	31-01-057700
CN(CC1=NNC2=C1CCCCC2)C(=O)C3=NNC4=C3CCNC4	PC-id_165425789	328.201	VCJVNJYBNSLDFY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057701
BrCCCCn1ccc2c1C(=O)N(C)CCC2=NO	SCHEMBL9038657,PC-id_88403668	328.205	BBWZHAHWGQOEHX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-057702
C/C=CC(=C/C=C/c1cn2c(n1)CC=CC(=C2)Br)C#N	PC-id_143106599	328.206	WCBJHYAHCMFVJO-IVOPLCHYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-057703
C=C(Br)CNC(=O)NCc1nnc2n1CCCCC2	PC-id_56820243,EMOLS-id_36936235,ZINC22_69244150,MCULE-9042642093	328.208	JRSVJKIRLCKKEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057704
Brc1ccc(s1)CNC1CCn2c(CC1)nnn2	MCULE-2314604110,EMOLS-id_102026224	328.231	RERGEMFXAWNPOF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057705
Brc1ccsc1CNC1CCn2c(CC1)nnn2	MCULE-6529143412,EMOLS-id_102000474	328.231	WODFQKSWWVLVJD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057706
Brc1cscc1CNC1CCn2c(CC1)nnn2	EMOLS-id_102002523,MCULE-5132636903	328.231	QDLLYUKGJHGFRK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057707
Brc1csc(c1)CNC1CCn2c(CC1)nnn2	MCULE-4054010718,EMOLS-id_102024391	328.231	KBYWIVPJBGOWKQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057708
Brc1scc(c1)CNC1CCn2c(CC1)nnn2	MCULE-4606922370,EMOLS-id_102026230	328.231	NXWSPEFUWWNXHE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057709
Clc1cc(OC2CCN(Cc3c2scc3)C)ccc1Cl	PC-id_25027577,SCHEMBL2841728	328.257	AWGADEKHWYFBJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057710
Clc1cc(OC2CCN(Cc3sccc23)C)ccc1Cl	PC-id_68413867	328.257	CRAUWLGMHGXORA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057711
Clc1cc(OC2CN(CCc3c2scc3)C)ccc1Cl	SCHEMBL2839785,PC-id_68411277	328.257	APUXZPRXMRGMTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057712
Clc1cc(OC2CN(CCc3sccc23)C)ccc1Cl	PC-id_68410084,SCHEMBL2836992	328.257	AOEBNPHOXZARQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057713
Clc1c(OC2CCN(Cc3sccc23)C)cccc1Cl	SCHEMBL2837016,PC-id_25027796	328.257	MEGYXBPRHZGPPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057714
BrC1CCN(C1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80678559	328.268	DPBJMTGXDRTLTI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-057715
BrCC1(CC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_116349748	328.268	KZXBHRRRPOBTJZ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-057716
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)noc1C(F)(F)F	EMOLS-id_318996206	328.29	KXUQAJXQBDCRPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057717
FC(F)(F)Oc1ccc(CN2CCc3n[nH]c(=O)n3CC2)cc1	MCULE-7422424621,PC-id_91910600,EMOLS-id_49731303	328.29	PCSUZOBKZFHZGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057718
O=C(c1noc2c1CCCCC2)NCc1n[nH]c(c1)C(F)(F)F	EMOLS-id_319771290	328.29	BZFZWGXDNMATGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057719
O=C(N1CCCc2c(C1)cco2)Nc1cn(nc1C(F)(F)F)C	EMOLS-id_99350767	328.29	BLZARYDUSGZQIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057720
O=C(N1CCCc2c(C1)cco2)Nc1cnn(c1C(F)(F)F)C	EMOLS-id_99353944	328.29	KGIFBBPBIZMMSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057721
O=C(C1CCn2c(CC1)nnc2)NCc1n[nH]c(c1)C(F)(F)F	EMOLS-id_319678243	328.293	AFHUNOAUUJSLNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057722
P(=O)(OC)(O)CCCCCCn1c2c(nc1)NC=NCC2=O	PC-id_10544246	328.304	CTSAFDROPDZZCD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-057723
P(=O)(OC)(O)CCCCCCn1c2NC=NCC(=O)c2nc1	PC-id_10853705	328.304	ZVGNKZYNYKIUOV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-057724
N#CC1=CN(CC(c2c1cn[nH]2)(C)C)C(=O)c1ccc(c(c1)F)F	PC-id_121358810,SCHEMBL17777878	328.316	JMOPRLCYNNOQPB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057725
N#CC1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777916,PC-id_121358847	328.316	IOCRGYPHGDMQCL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057726
O=C1OCCOCCOCCOCCOC(=O)c2nc1cn2C	PC-id_101652312	328.318	XXCZNVLSBOLYEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057727
o1nc2n(C(CC([N+](=O)[O-])CC(N)C(=O)OC)CCCC2)c1=O	PC-id_59974980	328.321	MHXMRHGBJSHODQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057728
c1(C(=O)OC)cc2n(CCCN(C2)C(=O)C(=O)c2cccnc2)n1	PC-id_50976403,EMOLS-id_32421582,ZINC22_65467714,MCULE-3778356760	328.323	KUASWWOJWVXBKY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057729
COC(=O)c1coc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1	ZINC22_185258483	328.323	APCYJWPLHLGAIQ-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-057730
COC(=O)c1coc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c1	ZINC22_185258505	328.323	APCYJWPLHLGAIQ-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-057731
N#CC(c1nnc2n1CCCCC2)C(=O)c1occ(c1)C(=O)OC	PC-id_121567286,EMOLS-id_76025345,MCULE-5055532096	328.323	APCYJWPLHLGAIQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-057732
O(CCn1c2NC=NCC(=O)c2nc1)c1cc(ccc1)C(=O)OC	PC-id_10806161	328.323	IXMVLFZXCUTUIH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057733
O(CCn1c2NC=NCC(=O)c2nc1)c1c(cccc1)C(=O)OC	PC-id_10806162	328.323	MLOZWBJXMHZGFZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057734
O(C(=O)C1NC(=O)c2ncn(c2NC1=O)Cc1ccccc1)CC	PC-id_10471698	328.323	FEWYCOYCOXKRPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057735
c12C(CCCCn1nnn2)C(=O)NCc1noc(c2ccco2)c1	EMOLS-id_49650508,PC-id_74235775,MCULE-9339271240	328.326	VELHMSLEISQDIV-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-057736
CC1=Nc2nnc(n2NC(=O)C1)CCCc1ccc(cc1)[N+](=O)[O-]	PC-id_91727254	328.326	DCFHOXMXDFBNLY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057737
O=C(NCc1cc(c2ccco2)on1)[C@@H]1CCCCn2nnnc12	ZINC22_97475486,PC-id_97894417	328.326	VELHMSLEISQDIV-LLVKDONJSA-N	00000000101000000101100000000010000000000000000000000000	31-01-057738
O=C(NCc1cc(c2ccco2)on1)[C@H]1CCCCn2nnnc12	ZINC22_97475487,PC-id_97894418	328.326	VELHMSLEISQDIV-NSHDSACASA-N	00000000101000000101100000000010000000000000000000000000	31-01-057739
CCN1CCn2c(C(C(=C1)C(=O)C)C)ccc2C(=O)C(F)(F)F	PC-id_142757271	328.329	PNTFXKSKMZJPNX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-057740
c1(n[nH]cc1C(=O)NCc1nnc2CCCCCn12)n1cnnn1	PC-id_90650869,MCULE-4682736613,ZINC22_220717003,EMOLS-id_50538793	328.333	IBFRQPMFIBFVBC-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-057741
CC(c1[nH]nc(c1)C(F)(F)F)NCc1nnc2n1CCCCC2	MCULE-5567717022,EMOLS-id_319895597	328.336	LHFRWPHMSILWQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057742
Cn1ncc(c1)C(C(F)(F)F)NCc1nnc2n1CCCCC2	MCULE-1294051408,EMOLS-id_317974208	328.336	DCGLVBRIIMBIBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057743
Cn1nc(cc1CNCc1nnc2n1CCCCC2)C(F)(F)F	MCULE-3194142647,EMOLS-id_318026926	328.336	CBTFLXJLLIQJEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057744
Fc1ccc2c(c1)C(CC(=O)N1CCCc3c(C1)cco3)C(=O)N2	EMOLS-id_319794589	328.338	KMFBXUJLVKRPST-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-057745
Fc1cccc(c1CS(=O)(=O)N1CCCn2c(C1)cnn2)F	EMOLS-id_319816387,MCULE-8497776101	328.338	ODZDTALSXLQVAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057746
Fc1cc(F)c(cc1S(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_319529452	328.338	MIUIXZJMOUMCID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057747
FC(c1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)cnn2)F	EMOLS-id_319447977	328.338	LQZSRXDEGZIUIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057748
c12CN(CCCn1nc(C#N)c2)C(C(=O)O)c1ccc(c(F)c1)C	MCULE-3841344893,EMOLS-id_316213860	328.341	HTCXVYWVLOADGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057749
Cc1ccc([C@@H](C(=O)O)N2CCCn3nc(C#N)cc3C2)cc1F	ZINC22_1506426388	328.341	HTCXVYWVLOADGL-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057750
Cc1ccc([C@H](C(=O)O)N2CCCn3nc(C#N)cc3C2)cc1F	ZINC22_1506426392	328.341	HTCXVYWVLOADGL-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057751
COc1c(ccc(c1)C(=O)C(C#N)c1nnc2n1CCCCC2)F	PC-id_136515302,MCULE-4844396339,EMOLS-id_316897561	328.341	PRHUIMJPKYLFAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057752
COc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)ccc1F	ZINC22_177698571	328.341	PRHUIMJPKYLFAK-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057753
COc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)ccc1F	ZINC22_177698583	328.341	PRHUIMJPKYLFAK-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057754
Fc1ccc2c(c1)c(no2)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101822136	328.341	FQNUYOFKPIESNY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057755
Fc1ccc(cc1)C(=O)N1C=C(C(=O)N)c2c(C(C1)(C)C)cn[nH]2	PC-id_121358791,SCHEMBL17777859	328.341	RQEQIKJIEDKYNH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057756
Fc1ccc(cc1)C(=O)N1C=C(C(=O)N)c2c(C(C1)(C)C)[nH]nc2	PC-id_121358802,SCHEMBL17777870	328.341	ARXDXMWFDRBBNF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057757
Fc1cccnc1OC1CN(Cc2ccoc2)Cc2ccnn2C1	EMOLS-id_50014650	328.341	BLHDAJJSWQRNMF-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-057758
Fc1cccnc1O[C@H]1CN(Cc2ccoc2)Cc2ccnn2C1	ZINC22_247491007	328.341	BLHDAJJSWQRNMF-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-057759
Fc1cccnc1O[C@@H]1CN(Cc2ccoc2)Cc2ccnn2C1	ZINC22_247491012	328.341	BLHDAJJSWQRNMF-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-057760
O=C1Nc2c(C1CC(=O)N1CCCc3c(C1)c[nH]n3)cc(cc2)F	EMOLS-id_319669386	328.341	PRCBIAKJOYKFHV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057761
O=C1Nc2c(C1CC(=O)N1CCCc3c(C1)c[nH]n3)cccc2F	MCULE-2941805114,EMOLS-id_320143505	328.341	MQDHRENQSCKXLS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057762
O=C(c1noc2c1CCCCC2)NCc1c(F)ccc2c1nc[nH]2	EMOLS-id_319928957,MCULE-7849582745	328.341	SMRUDBIUVOGAMA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057763
Nc1cc2-c(c1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])ccccc2	PC-id_102129073	328.342	NTZYNAUAPUYDPK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-057764
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1cc2-c(c1)ccccc2	PC-id_102129071	328.342	UXDARFLNHLEZBM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-057765
c1ccc(cc1)P(=O)(c1ccccc1)c1cc2-c(ccccc2)c1	PC-id_135031063	328.344	MWCBNBRJVRAXTA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-057766
Fc1ccc2c(c1)ccn2CC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319886145,MCULE-4692776802	328.344	FPWJGSMXOWMKCC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-057767
O=C(c1ccc2c(c1F)nc[nH]2)NCc1nnc2n1CCCCC2	MCULE-4059485669,EMOLS-id_320257044	328.344	MYJPCPBBLWWVEZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057768
O=C(C1CCn2c(CC1)nnc2)NCc1c(F)ccc2c1nc[nH]2	EMOLS-id_279029316	328.344	NQWYLHNLTQEAET-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057769
O=C(NCc1nc2ccc(F)cc2[nH]1)[C@H]1CNCc2nccn2C1	ZINC22_2325780183	328.344	MLMSNHJXAVNMNX-JTQLQIEISA-N	00000000100000100101000001000010000000000000000000000000	31-01-057770
O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CNCc2nccn2C1	ZINC22_2325780184	328.344	MLMSNHJXAVNMNX-SNVBAGLBSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057771
c1ccc2-c(nnc2C(=O)Nc2ccc(cc2)S(=O)(=O)N)cc1	PC-id_90954618	328.346	YGYQOZIGHLIUTO-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-057772
FC(C(N1CCOCC1)CC(=O)N1CCCc2c(C1)c[nH]n2)F	EMOLS-id_318829430	328.358	BMYUCVGSRIUPIF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057773
O=C(C(C1(O)CCC1)(F)F)NCCc1nnc2n1CCCCC2	PC-id_112432568	328.358	BHMJLRBOOIVWCL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-057774
N#CC1=CN(Cc2ccc(c(c2)F)F)CC(c2c1n[nH]c2C)(C)C	PC-id_145087397	328.359	INRBFXZSENCNDA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057775
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(O)c(c2)CC=C)CC	PC-id_10758651	328.359	GPPVHWVZGLRCSP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057776
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(OCC=C)cc2)CC	PC-id_10711361	328.359	JQXGNMHLJQRBRT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057777
CN(C(=O)NC1CCn2c(CC1)nnn2)C1CCC(CC1)(F)F	EMOLS-id_102161176	328.361	CXMTYWLHUYOGQF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057778
FC(CN1CCC(C1)CNC(=O)C1CCn2c(CC1)nnn2)F	EMOLS-id_318945828	328.361	UQAPUHYLRRGTBO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057779
o1c(C(=O)c2c3-c(c(c2)CC)ccccc3)cc2c1ccc(c2)C=O	PC-id_11034815	328.361	XIWKNXYHPRYDBN-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-057780
O=C(NC1CCn2c(CC1)nnn2)NCC1CCCC(C1)(F)F	EMOLS-id_102175775	328.361	SUBKAJOCEMXWPU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057781
O=C(NC1CCn2c(CC1)nnn2)NCC1CCC(CC1)(F)F	EMOLS-id_102176762	328.361	GLQUWLGCCCEMKX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057782
O=C(NC1CCn2c(CC1)nnn2)NCC1CCCCC1(F)F	EMOLS-id_102181434	328.361	QQWJXTLTHHKMDI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057783
c1(C(=O)Nc2ccc(cc2)C(=O)OCC)c2CCCCCc2on1	MCULE-9120381979,PC-id_17254378,ZINC22_20168970,EMOLS-id_21980683,TIMTEC281382,STOCK6S-93590	328.362	LDLHCYJXBHJYLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057784
Cc1cc(C)c(cc1NC(=O)c1noc2c1CCCCC2)C(=O)O	MCULE-8070138882,EMOLS-id_72348486,PC-id_120538239	328.362	SAWYMHATUBWGHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057785
CC(c1cccc(c1)NC(=O)c1noc2c1CCCCC2)C(=O)O	EMOLS-id_72675103,PC-id_121984778,MCULE-2407884359	328.362	DSJBXSIJZUAFNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057786
CC(c1ccc(cc1)NC(=O)c1noc2c1CCCCC2)C(=O)O	EMOLS-id_72681957,PC-id_121988205,MCULE-4925185416	328.362	BOFZMRIKTLCUQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057787
CCOC1CN(Cc2cccn2C1)C(=O)c1ccc2OCOc2c1	EMOLS-id_50008202	328.362	KIHRNCFXFWKKGI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057788
CCO[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_253383097	328.362	KIHRNCFXFWKKGI-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057789
CCO[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_253383098	328.362	KIHRNCFXFWKKGI-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057790
COCc1cccc(c2-c1c(C(=O)OCC)c(c2C#N)N)COC	PC-id_101618226	328.362	XXGOOIFTAAWFFB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057791
O=C1c2c([nH]cc2C(=O)Nc2ccc(OCCO)cc2)CCCC1	PC-id_59983939	328.362	AWIZFTRDNDSGLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057792
O=C(c1noc2c1CCCCC2)Nc1ccc2c(c1)OC(O2)(C)C	EMOLS-id_111416884	328.362	OWMCDWCYJVAJMW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057793
O=C(c1noc2c1CCCCC2)NCC(c1ccccc1)C(=O)O	EMOLS-id_72333130,PC-id_120528836,MCULE-3823774088	328.362	UIEGFVYQRWTKDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057794
OC(=O)c1ccc(cc1)CCNC(=O)c1noc2c1CCCCC2	EMOLS-id_57584211,MCULE-5313937708,PC-id_120512982	328.362	OKPVWVCNFXSUNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057795
OC(=O)c1cccc(c1)CCNC(=O)c1noc2c1CCCCC2	PC-id_120535500,EMOLS-id_57639611,MCULE-1847883185	328.362	SEWWWYPXCFHTOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057796
OC(=O)c1ccc(cc1)CN(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_57610135,PC-id_120523759,MCULE-5565625337	328.362	HAQDWKQXXJZWIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057797
OC(=O)CCc1cccc(c1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_72349392,PC-id_120538146,MCULE-2802602101	328.362	RMVAYARDXXMMRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057798
OC(=O)CC(c1ccccc1)NC(=O)c1noc2c1CCCCC2	PC-id_120512409,EMOLS-id_57582741,MCULE-1664505852	328.362	DEMDBVNTBBWRNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057799
OC(=O)CCc1ccc(cc1)NC(=O)c1noc2c1CCCCC2	PC-id_120528374,MCULE-1455291063,EMOLS-id_57623987	328.362	AAAYHBOERLNNOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057800
OC(=O)[C@H](NC(=O)c1noc2c1CCCCC2)Cc1ccccc1	MCULE-4082995248,PC-id_121897979,EMOLS-id_72506088	328.362	UTJDDQDBFIKTHT-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057801
OC(=O)[C@@H](NC(=O)c1noc2c1CCCCC2)Cc1ccccc1	PC-id_121897961	328.362	UTJDDQDBFIKTHT-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057802
OC(=O)CN(C(=O)c1noc2c1CCCCC2)Cc1ccccc1	EMOLS-id_57595643,PC-id_120517942,MCULE-1330657260	328.362	XEDJXMUSEKSCGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057803
OC(=O)C(NC(=O)c1noc2c1CCCCC2)Cc1ccccc1	MCULE-2820521303,PC-id_120512154,EMOLS-id_72324854	328.362	UTJDDQDBFIKTHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057804
c12c(n(cn1)CCc1cc(C(=O)O)cc(c1)CC)NC=NCC2O	PC-id_10042142,SCHEMBL19462684,CHEMBL39554,BindingDB_PC-id_10042142	328.366	BSOIFFSIVBQRMZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057805
c1(C(=O)OC)cc2n(CCCN(C(=O)CCc3cccnc3)C2)n1	PC-id_50949120,ZINC22_65370896,MCULE-8274680719,EMOLS-id_32369820	328.366	UOBQLNNWKXUWBW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057806
Cc1ccc(CCCn2cnc3c2NC=NCC3O)c(C(=O)O)c1	PC-id_10592379,BindingDB_PC-id_10592379,CHEMBL288819	328.366	FREWRWWQQNHHSI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057807
Cc1ccc(C(=O)O)cc1CCCn1cnc2c1NC=NCC2O	PC-id_10760295,CHEMBL1204977	328.366	VAGKEGDTQGQMIL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057808
Cc1ccc(C(=O)O)c(CCCn2cnc3c2NC=NCC3O)c1	CHEMBL39924,BindingDB_PC-id_10496515,PC-id_10496515	328.366	NXCSBXVIDCOCGM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057809
Cc1nnc2n1CCC(CC2)N(C)C(=O)c1cc2c(cc1)OCO2	MCULE-8450619271,PC-id_91922628,EMOLS-id_50590427	328.366	JIJOYYFLDKFMPU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057810
CCc1ccc(C(=O)O)cc1CCn1cnc2c1NC=NCC2O	PC-id_10381836,CHEMBL37071,BindingDB_PC-id_10381836	328.366	DAMRVORXKAEKOE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057811
CC(c1cnn(c1)C1CC1)NC(=O)c1coc2c1C(=O)NCCC2	EMOLS-id_319441273	328.366	NKHLFFFMRNUEOP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-057812
C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1nnc2n1CCCCC2	ZINC22_29252844	328.366	HDYKPHFKSAGWIQ-LLVKDONJSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057813
C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1nnc2n1CCCCC2	ZINC22_29252849	328.366	HDYKPHFKSAGWIQ-NSHDSACASA-N	00000010100000100101000000001010000000000000000000000000	31-01-057814
CCn1cnc2c1CCN(C(=O)c1coc3c1C(=O)NCCC3)C2	EMOLS-id_316935616,ZINC22_886604246,PC-id_136566493,MCULE-4241470446	328.366	KONVUDJUZHSORD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057815
CCOC(=O)Cc1cccc(Cn2cnc3c2NC=NCC3O)c1	PC-id_10496516,BindingDB_PC-id_10496516,CHEMBL37090	328.366	QIVGAHPWPDZIGR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057816
CC(=O)N(c1ccc(cn1)NC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_101925098	328.366	XXGJSQSLXVPDPQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-057817
CC(=O)NC1CCCN(C1)C(=O)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_319664808	328.366	VLUPQSWPKXEIMR-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-057818
Cn1nc(C2CC2)cc1CNC(=O)c1coc2c1C(=O)NCCC2	EMOLS-id_316988346,ZINC22_885820642,PC-id_136566178,MCULE-3705872767	328.366	FZEFQFSIMKUYMP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-057819
Cn1nc(CNC(=O)c2coc3c2C(=O)NCCC3)cc1C1CC1	PC-id_136566217,MCULE-5399486454,EMOLS-id_316987837,ZINC22_885897746	328.366	FHMCRJBWIYLJEM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-057820
CN(Cc1ccc(nc1)NC(=O)c1coc2c1C(=O)NCCC2)C	EMOLS-id_319663853	328.366	KHXAFXFAZSUYET-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-057821
CN(C(=O)c1ccc2c(c1)OCC2)Cc1nnc2n1CCOCC2	EMOLS-id_319326256	328.366	IKPHEPQPBMUTCK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057822
CN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc2c(c1)OCO2	EMOLS-id_319652171	328.366	MGKCXCXQKHQJLC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057823
CN(C(=O)c1coc2c1C(=O)NCC(C2)(C)C)Cc1ncccn1	EMOLS-id_319373904	328.366	LRTAAEWTHAVFIF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057824
COc1ccc(cc1)C1(CC1)C(=O)N1CCc2n[nH]c(=O)n2CC1	PC-id_91910591	328.366	CTXGWJVEUIWCKG-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-057825
COC(=O)c1ccccc1CCCn1cnc2c1NC=NCC2O	PC-id_10782501,BindingDB_PC-id_10782501,CHEMBL290030	328.366	IFIJCEVSKXEKOU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057826
COC(=O)c1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_257959657,MCULE-2684096460	328.366	HKDCMPSXQHZYOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057827
COC(=O)c1cccc(CCCn2cnc3c2NC=NCC3O)c1	CHEMBL290381,PC-id_10782502,BindingDB_PC-id_10782502	328.366	SREMDAXPDXNKPJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057828
COC(=O)c1nccc(c1)CNC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_278453183	328.366	UTMXBURZGMMBBJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057829
n12CCCNCc1cc(CNC(=O)Cc1ccc3c(OCO3)c1)n2	EMOLS-id_44446681,ZINC22_82138957,PC-id_70771183,MCULE-1734851150	328.366	UWWYCDQFTNHSLE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057830
n1c(CNC(=O)Nc2ccc3c(OCO3)c2)c2c(CCCCC2)[nH]1	ZINC22_828061707,MCULE-2534325656,EMOLS-id_232842692	328.366	NGXRELAZPIXRIO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057831
O1c2cc(C(=O)NC(c3n4CCCCCc4nn3)C)ccc2OC1	EMOLS-id_35688558,PC-id_53503428,MCULE-7944294230	328.366	HDYKPHFKSAGWIQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057832
O=C(c1cccc(c1)C(=O)O)NCCc1nnc2n1CCCCC2	EMOLS-id_53607124,PC-id_120094617,MCULE-3412136717	328.366	OBGVUUSESDOGKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057833
O=C(c1ccc(cn1)NC(=O)c1noc2c1CCCCC2)N(C)C	EMOLS-id_279087505	328.366	LHWVHZKGONRAAA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057834
O=C(c1coc2c1C(=O)NCC(C2)(C)C)N1CC(C1)c1cc[nH]n1	EMOLS-id_320296545,MCULE-1745149060	328.366	WDVWMAUCCMTXGJ-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-057835
O=C(c1coc2c1C(=O)NCC(C2)(C)C)NC(c1ncccn1)C	EMOLS-id_319652813	328.366	CPAWXBJSGROYMM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057836
O=C(c1coc2c1C(=O)NCC(C2)(C)C)NCCc1ncccn1	MCULE-4565473231,EMOLS-id_319893649	328.366	JFDBLBPKMDXNTR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057837
O=C(c1coc2c1C(=O)NCCC2)NC1CC(C1)Cn1cncc1	EMOLS-id_319719794	328.366	UEOHKLGJLCKUKH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-057838
O=C(c1coc2c1C(=O)NCCC2)NC[C@@H]1C[C@H]1c1ccnn1C	EMOLS-id_320254641,MCULE-1528364524	328.366	MHMOUNMZECJXSW-WDEREUQCSA-N	00100000100000000101100000000010000000000000000000000000	31-01-057839
O=C(Cc1ccccc1C(=O)O)NCc1nnc2n1CCCCC2	MCULE-6968330054,PC-id_45835380,EMOLS-id_32084986	328.366	VGQWWIJHKCCECA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057840
O=C(CCNC(=O)c1noc2c1CCCCC2)Nc1cccnc1	PC-id_99633158,MCULE-4842237902,ZINC22_132722465,EMOLS-id_53781359	328.366	WPDMQKHVXLCVNP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057841
O=C(N1CCCc2c(C1)cco2)c1ncnc(c1)N1CCOCC1	EMOLS-id_316705310	328.366	CVEWYAOKKSESFV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-057842
O=C(N1CCCc2c(C1)cnn2C)Nc1cc2OCOc2cc1C	EMOLS-id_101950506	328.366	QVZOJGUOWZQRCS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057843
O(C(=O)C(CCCc1c2-c(cc1)ccccc2)C(=O)OCC)CC	PC-id_75103410	328.402	VBJJZSIWHJDZFL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057988
O=C(N1CCCc2c(C1)cnn2C)NCc1ccc2c(c1)OCO2	EMOLS-id_101727855	328.366	DLSDGVUAMJASMU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057844
O=C(N1CCCc2c(C1)cnn2C)NCc1cccc2c1OCO2	EMOLS-id_101717706	328.366	SVJWUMPYCUNVGL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057845
O=C(N1CCn2c(CC1)nnc2C)CCc1ccc2c(c1)OCO2	CoCoCo_1160443	328.366	DBCULYUOYCROSU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057846
O=C(Nc1ccccc1OCc1nnc2n1CCOCC2)C1CC1	EMOLS-id_320360559,MCULE-4888724447,PC-id_139020586,ZINC22_1776007382	328.366	QXTNKFHYLPJWCI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-057847
O=C(NCc1n2CCCCCc2nn1)c1ccc(cc1)C(=O)OC	PC-id_51185251	328.366	FTPMZQYVLNULMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057848
O=C(NCCc1nnc2n1CCCCC2)c1ccc2c(c1)OCO2	EMOLS-id_44028105,ZINC22_12758748,PC-id_17524446,MCULE-7791383558	328.366	RMCXWUKUYWCUDQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057849
O=C(O)c1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1	EMOLS-id_48269549,PC-id_75428833,ZINC22_95424276,MCULE-5493404608	328.366	RSXMMGFFWMDNJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057850
OC(=O)N1CCc2c(CC1)cnn2C(=O)NC(c1ccccc1)C	PC-id_69445712,SCHEMBL5448430	328.366	SZUNMIZHADZBQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057851
c12C(CCCCn1nnn2)C(=O)NCCC(=O)Nc1ccccc1	EMOLS-id_49660220,MCULE-9817744744,PC-id_74240554	328.369	YYRCVVHMOFVPJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057852
c12CN(CCCn1nc(CNc1ncccc1C(=O)N)c2)C(=O)C	EMOLS-id_44436551,PC-id_70741696,MCULE-3200071031,ZINC22_82114536	328.369	FCABYUXKSYFRTG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057853
c12CN(CCCn1nc(CNC(=O)c1cnc(cn1)C)c2)C(=O)C	PC-id_70751553,MCULE-4406082759,EMOLS-id_44439939,ZINC22_82121270	328.369	IAVBKSKDBPKXAW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057854
c1(cnn2ccn(C)c12)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	MCULE-8032164612,EMOLS-id_55708486,PC-id_91796679	328.369	XZHYCLOPTJJAID-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-057855
c1(C(=O)N)cn2c(CCN(CC2)C(=O)C2CCn3c(ccn3)C2)n1	MCULE-7404626687,EMOLS-id_331148094	328.369	HVYPKJRSFXDZNY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057856
Cc1cc2nc(cc(=O)n2[nH]1)CN1CCCn2c(cc(n2)CO)C1	PC-id_91790956	328.369	DYZGUFGRXCRYTM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057857
Cc1cc2[nH]c(CN3CCCn4nc(CO)cc4C3)cc(=O)n2n1	EMOLS-id_55691675,MCULE-8273060381	328.369	BXXJKYSBHRQJNR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057858
C=CC(=O)N1CCC(CC1)NC1=CCN=c2c(=N1)c(c[nH]2)C(=O)N	PC-id_137315676,SCHEMBL20125530	328.369	UJTZZLPNNXSFHU-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-057859
C=CC(=O)N1CCC(CC1)NC1=CNc2c(C=N1)c(c[nH]2)C(=O)N	PC-id_137315669	328.369	DEBHXXMZZQNCOU-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-057860
C=CC(=O)N1CCC(CC1)NC1=CN=c2c(=CN1)c(c[nH]2)C(=O)N	SCHEMBL20125443	328.369	XUILRPNPAXZSBR-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-057861
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cnn3ccn(C)c13)C2	PC-id_100309039,ZINC22_223781872	328.369	XZHYCLOPTJJAID-LLVKDONJSA-N	00000000100000000101000100000010000000000000000000000000	31-01-057862
C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cnn3ccn(C)c13)C2	ZINC22_223781921,PC-id_100309050	328.369	XZHYCLOPTJJAID-NSHDSACASA-N	00000000100000000101000100000010000000000000000000000000	31-01-057863
CN1CCn2c(C1=O)cc(n2)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_320058930,MCULE-4586799131	328.369	PDEMWMCFULNDHE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057864
Cn1cnc(C(=O)N2CCc3ccc(C(=O)NC4CC4)n3CC2)n1	ZINC22_1565544401,EMOLS-id_313771471	328.369	GSFXHQMOWWWVNM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-057865
COc1ccc2c(c1)CCN2C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102159028	328.369	MEDHOUYIPQOWAQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057866
NC(=O)c1cn2c(n1)CCN(C(=O)[C@@H]1CCn3nccc3C1)CC2	ZINC22_1875250796	328.369	HVYPKJRSFXDZNY-LLVKDONJSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057867
NC(=O)c1cn2c(n1)CCN(C(=O)[C@H]1CCn3nccc3C1)CC2	ZINC22_1875250797	328.369	HVYPKJRSFXDZNY-NSHDSACASA-N	00000000100010000101000000010010000000000000000000000000	31-01-057868
O=C1CCCN1Cc1ncn2c1CN(CCC2)C(=O)c1ccn[nH]1	PC-id_97405472	328.369	MMHPQFKNAKSHAG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057869
O=C1CCCN1Cc1nnc2n1CCCN(C(=O)c1ccc[nH]1)C2	ZINC22_96259631,EMOLS-id_44370810,PC-id_97519713	328.369	IZWPIZRNKUQDCK-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-057870
O=C1CCCN1Cc1nnn2c1CN(CCC2)C(=O)c1ccc[nH]1	PC-id_97405520	328.369	UFUHCZUUHAWPCG-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-057871
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1n[nH]c2c1CCCC2	PC-id_145225461	328.369	CCPCRIDRLJYSIK-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-057872
O=C(c1cc[nH]n1)N1CCCn2ncc(C(=O)N3CCCC3)c2C1	ZINC22_1565546329,EMOLS-id_313771213	328.369	ZOOKRRYJBNYASU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057873
O=C(c1ccnnc1)N1CCCn2nnc(COCC3CC3)c2C1	PC-id_97381510,ZINC22_96058853,EMOLS-id_46148003	328.369	NGRFQSCQQYAYSP-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057874
O=C(C1[C@H]2COC[C@@H]12)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_313724636	328.369	OZTPHNLSGOZQCY-WZSRBFQBSA-N	00100010100000000101010000000010000000000000000000000000	31-01-057875
O=C(c1cnccn1)N1CCCn2nnc(COCC3CC3)c2C1	PC-id_97381509,ZINC22_96058852,EMOLS-id_46148001	328.369	OGJZVDFIIBUHIJ-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057876
O=C(CC1CC1)N1CCc2nnc(COc3ncccn3)n2CC1	EMOLS-id_46182175,ZINC22_96084585,PC-id_97405409	328.369	QXDMIRRWFMOCSP-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-057877
O=C(CCNC(=O)[C@H]1CCCCn2nnnc12)Nc1ccccc1	PC-id_97922822,ZINC22_97601016	328.369	YYRCVVHMOFVPJG-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057878
O=C(CCNC(=O)[C@@H]1CCCCn2nnnc12)Nc1ccccc1	ZINC22_97601015,PC-id_97922821	328.369	YYRCVVHMOFVPJG-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057879
O=C([C@@H]1[C@H]2COC[C@@H]12)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_1565543396	328.369	OZTPHNLSGOZQCY-CXTNEJHOSA-N	00100010100000000101010000000010000000000000000000000000	31-01-057880
O=C([C@H]1[C@H]2COC[C@@H]12)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_1565543397	328.369	OZTPHNLSGOZQCY-GUIRCDHDSA-N	00100010100000000101010000000010000000000000000000000000	31-01-057881
O=C([C@@H]1[C@H]2COC[C@@H]12)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_1565543398	328.369	OZTPHNLSGOZQCY-RMRHIDDWSA-N	00100010100000000101010000000010000000000000000000000000	31-01-057882
O=C([C@H]1[C@H]2COC[C@@H]12)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_1565543399	328.369	OZTPHNLSGOZQCY-XPCVCDNBSA-N	00100010100000000101010000000010000000000000000000000000	31-01-057883
O=C([C@@H]1[C@H]2COC[C@@H]12)N1CCCn2c(Cn3cccn3)nnc2C1	ZINC22_1142641939,EMOLS-id_313729236	328.369	RTONYMQWZYYMNN-JYAVWHMHSA-N	00100010100000000101010000000010000000000000000000000000	31-01-057884
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnc(C2CC2)nc1	PC-id_71879415,EMOLS-id_45757662,ZINC22_89764572,MCULE-8774509394	328.369	ZVOHXZJUCBUJFI-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-057885
O=C(NC1CCc2c1cccc2O)NC1CCn2c(CC1)nnn2	EMOLS-id_102181173	328.369	VGOUESLEGIMFCA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057886
O=C(NC1C(C)Oc2c1cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102178346	328.369	WGOMWIVJJYJMGV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057887
O=C(NC1C(O)Cc2c1cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102183279	328.369	WZQXXWXXBKIWDL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057888
O=C(N[C@H]1[C@@H](O)Cc2c1cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102158980	328.369	WZQXXWXXBKIWDL-RDNFXGMISA-N	00000010100000100101000000001010000000000000000000000000	31-01-057889
O=C(N[C@@H]1[C@H](O)Cc2c1cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102159121	328.369	WZQXXWXXBKIWDL-ICSQTIAXSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057890
Nc1ccc(nc1C(=N)c1nc2c([nH]1)CC=CC=C2)c1ccncc1	PC-id_145252993	328.371	KLAPJHTWAUOOGW-UHFFFAOYSA-N	00000000100000101111100000000010000000000000000000000000	31-01-057891
c12nnnn1CCCCC2C(=O)N1CCN(CC1)c1ncccn1	EMOLS-id_49675092,PC-id_74247849,MCULE-4166611366	328.372	NPJSMDSWCCJUQI-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-057892
O=C([C@H]1CCCCn2nnnc12)N1CCN(c2ncccn2)CC1	PC-id_97938637,ZINC22_97757872	328.372	NPJSMDSWCCJUQI-LBPRGKRZSA-N	00000000100010100101100000000010000000000000000000000000	31-01-057893
O=C([C@@H]1CCCCn2nnnc12)N1CCN(c2ncccn2)CC1	ZINC22_97757871,PC-id_97938636	328.372	NPJSMDSWCCJUQI-GFCCVEGCSA-N	00000000100010100101100000000010000000000000000000000000	31-01-057894
CCC(=O)OCC1(COC(=O)CC)COc2c(OC1)csc2	PC-id_102326798	328.381	OSMREZWYSPFLJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057895
CCOC(=O)c1sc(c2c1OCC(C)CCO2)C(=O)OCC	PC-id_101801828	328.381	NXHSDZABQYZNSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057896
CCOC(=O)c1sc(c2c1OCCCCCO2)C(=O)OCC	PC-id_101801829	328.381	CLLVYMLSBNEMGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057897
CCOC(=O)c1sc(c2c1OCC(CO2)(C)C)C(=O)OCC	PC-id_12141184,SCHEMBL13515150	328.381	RGHRCOASLPZYAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057898
Fc1ccc(cc1)CC1(CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101547341	328.381	SWKIKDPHFPKCGN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-057899
O=C(C(N1CCCc2c(C1)cco2)c1ccc(cc1)F)NC1CC1	EMOLS-id_316193550,MCULE-8019254031	328.381	JWHPHKOUSCVMDQ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-057900
O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCCc2occc2C1	ZINC22_367317328	328.381	JWHPHKOUSCVMDQ-GOSISDBHSA-N	00100000100000110100000000000010000000000000000000000000	31-01-057901
O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCCc2occc2C1	ZINC22_367317329	328.381	JWHPHKOUSCVMDQ-SFHVURJKSA-N	00100000100000110100000000000010000000000000000000000000	31-01-057902
O=C(NCC1(c2ccccc2F)CC1)c1noc2c1CCCCC2	EMOLS-id_49966570,MCULE-2835010442,ZINC22_97103208,PC-id_86803115	328.381	MDZOMWXQIVTDSH-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-057903
s1c(c2OC(CC(Oc2c1C(=O)OCC)C)C)C(=O)OCC	PC-id_12141181	328.381	RYRAFOBDYUCKGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057904
c1(CN2CCCn3nc(CO)cc3C2)c(C)c2c(ccc(F)c2)[nH]1	EMOLS-id_50533737,PC-id_90649481,ZINC22_219784304,MCULE-8620485213	328.384	PARBIOLOPKCLQH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-057905
C/C(=CC(=O)NCc1nnc2n1CCCCC2)/c1ccc(F)cc1	PC-id_97517158,ZINC22_96256214	328.384	RUVIESLBNMWCBZ-ACCUITESSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057906
Cn1c2c(cc(cc2)F)cc1CN1CCCn2c(cc(n2)CO)C1	PC-id_91797675	328.384	LWFHNLHDHYWMTA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-057907
Fc1ccc2c(c1)CCC2NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101723172	328.384	LAEOIDCYDSRTSY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-057908
Fc1cccc(c1)C1CC1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_303427247	328.384	FMAHCBNUVMKGCZ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-057909
Fc1cccc(c1)C1CCCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319813441	328.384	HCNXMQNPCMNVKY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-057910
Fc1ccc(cc1)C1CCCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320032347,MCULE-5012844667	328.384	FHCCBRSABGTTRV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-057911
Fc1cccc(c1)[C@@H]1C[C@H]1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101695922	328.384	FMAHCBNUVMKGCZ-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-057912
Fc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101695991	328.384	WFPLVLFEDRXVBK-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-057913
Fc1ccc(cc1)NC1CN(C1)C(=O)c1cnc2n1CCCCC2	MCULE-3470264936,EMOLS-id_318729897	328.384	ZWMRTOFSVKITHS-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-057914
Fc1ccc(C(=CC(=O)NCc2n3CCCCCc3nn2)C)cc1	MCULE-7150192798,PC-id_53583131,EMOLS-id_36283750	328.384	RUVIESLBNMWCBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057915
Fc1ccc(/C=C/C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51307458	328.384	JNQKWUWRZBCEFU-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057916
Fc1ccc(C=CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_75625038	328.384	JNQKWUWRZBCEFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-057917
O=C(c1noc2c1CCCCC2)NC1(COC1)CS(=O)(=O)C	MCULE-7344789925,EMOLS-id_316390891	328.384	BNVONXPAPMLGED-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-057918
O=C(c1noc2c1CCCCC2)NS(=O)(=O)C1CCCOC1	EMOLS-id_112072399	328.384	ZGTUOPLHZSQFLP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057919
O=C(c1noc2c1CCCCC2)NS(=O)(=O)CC1CCCO1	EMOLS-id_112072357	328.384	FNAIMTNWPVUEQJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057920
O=C(c1noc2c1CCCCC2)NS(=O)(=O)CC1CCOC1	MCULE-7391197863,EMOLS-id_50568099,PC-id_102562118	328.384	QXNFCDJJZAAHQI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057921
O=C(c1noc2c1CCCCC2)NS(=O)(=O)C[C@@H]1CCOC1	PC-id_99709329	328.384	QXNFCDJJZAAHQI-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057922
O=C(c1noc2c1CCCCC2)NS(=O)(=O)C[C@H]1CCOC1	PC-id_99709330	328.384	QXNFCDJJZAAHQI-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-057923
O=C(N1CCCc2c(C1)cnn2C)N[C@@H]1C[C@H]1c1ccccc1F	EMOLS-id_101690132	328.384	LHPAESMBKFTOMV-GOEBONIOSA-N	00100000100000110101100000000010000000000000000000000000	31-01-057924
O=C(N(C1CC1)Cc1ccccc1F)C1CCn2c(CC1)nnc2	EMOLS-id_319489992	328.384	QOQFCSOXZYXDDY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-057925
O=C(NCc1nnc2n1CCCCC2)C1(c2cccc(F)c2)CC1	ZINC22_96406336,PC-id_72012808,EMOLS-id_49022055	328.384	PSTQGAARXSWZLT-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-057926
COc1ccc(cc1)COC1=CCC=Nc2c1c(N)c(s2)C=O	PC-id_142840243	328.386	PJWGTDOFXZHQBA-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-057927
COC(=O)[C@@H](N1CC(=Nc2c(C1=O)scc2)C)c1ccccc1	PC-id_139222485	328.386	JTHKYVZEVDTSLF-AWEZNQCLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-057928
CN(Cc1cc2CNCCCn2n1)Cc1nc2ccc(F)cc2[nH]1	MCULE-2400556732,ZINC22_72156893,EMOLS-id_43118415,PC-id_56897009	328.387	NAFXTHWEJVPWGW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057929
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cn2CCNCCc2n1	ZINC22_1857715374,EMOLS-id_330423786,MCULE-2594421997	328.387	OSEUWLZBAHAKIF-GHMZBOCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-057930
O=C(c1noc2c1CCCCC2)N1CCN(CC1)S(=O)(=O)N	EMOLS-id_111422272	328.387	FJVMXONTMXYDIV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-057931
c12CN(CCCn1nc(C#N)c2)C(=O)C=Cc1cc(cs1)CO	MCULE-3317356196	328.389	ILTZLDKTFBEZEN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057932
c12CN(CCCn1nc(CO)c2)C(=O)c1ccc2c(scn2)c1	EMOLS-id_55629112,PC-id_91769303,MCULE-4306859156	328.389	FIQMMZPVMYHNLI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057933
c1(sc2c(CCCCC2)n1)NC(=O)c1[nH]nc(c2ccco2)c1	EMOLS-id_323230660,MCULE-9424790523	328.389	FRXUWNQLCJMDCE-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-057934
Cc1cc(O)n2c(n1)c(cn2)C(=O)N1CCCc2c(C1)ccs2	MCULE-8864687136,EMOLS-id_319986125	328.389	JEDAJPRPWLYFPD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057935
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c(s1)c(=O)[nH]cc2	MCULE-4557863160,EMOLS-id_320193085	328.389	MYVSZVOWDXJSJC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057936
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(s1)c1ccco1	MCULE-6645043169,EMOLS-id_320028331	328.389	QWICZBWFSHGBPA-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-057937
Cc1nc2c(s1)N(CCCC2)C(=O)c1n[nH]c(c1)c1ccco1	EMOLS-id_320111385,MCULE-4178414586	328.389	GBFYMZMHCGILPL-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-057938
Cn1nc(C(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1=O	PC-id_71944738,EMOLS-id_44490908,ZINC22_72495545,MCULE-6987502726	328.389	WZMSQOADAXTKOJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057939
N#Cc1cc2n(n1)CCCN(C(=O)/C=C/c1cc(CO)cs1)C2	ZINC22_1506421280,EMOLS-id_316235610	328.389	ILTZLDKTFBEZEN-NSCUHMNNSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057940
N#Cc1cc(C)c([nH]c1=O)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319696556	328.389	ZZTUDQYZEAAFDV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-057941
O=C(c1cnc2c(c1)c(C)no2)Nc1nc2c(s1)CCCCC2	GD-id_ZINC43481507	328.389	RYCNGKDTFXYGEA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057942
O=C(c1noc2c1CCCCC2)NCc1sc2c(n1)cncc2	EMOLS-id_320082020,MCULE-5352527516	328.389	AFXJOYCVMBQRNB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057943
O=C(Nc1nc(c2ccc[nH]2)cs1)c1noc2c1CCCCC2	MCULE-6706659557,EMOLS-id_316878671,PC-id_136533943,ZINC22_189574939	328.389	GTJIWZYRRSMWOR-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-057944
c12C(CCCCn1nnn2)C(=O)NCc1cccc2c1scn2	MCULE-9790893821,EMOLS-id_337835624	328.392	BKSJFRDVGMQGMJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057945
c12C(CCCCn1nnn2)C(=O)NCc1sc2c(cccc2)n1	PC-id_118770799,MCULE-6208824415,EMOLS-id_68891342	328.392	CYTJUQLIRFECSQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057946
C1CCc2nnc(n2CC1)/C(=C(/CSc1ncccn1)O)/C#N	PC-id_135680701	328.392	JRRRILOOIVTRCP-QXMHVHEDSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057947
C1CCc2nnc(n2CC1)C(=C(CSc1ncccn1)O)C#N	PC-id_137062104	328.392	JRRRILOOIVTRCP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-057948
c1(C(=O)NCc2ccc3c(nsn3)c2)nnc2CCCCCn12	EMOLS-id_232892257,MCULE-6518681364,ZINC22_828219116	328.392	COQNXIABJBVVTK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057949
Cc1ccc2c(c1)c(ns2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102176447	328.392	JAPKKAXGIIBKNZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057950
Cc1ccnc2nc(C(=O)Nc3nc4c(s3)CCCCC4)nn12	CoCoCo_4546100,PC-id_17468895,EMOLS-id_13534668,MCULE-6507877485,ZINC22_14198200	328.392	INZROYLTSNVYMF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057951
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1sccc1n1nncc1	EMOLS-id_319002138	328.392	XCRHATZHPLOUTH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-057952
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc2c(c1)nnn2C	MCULE-1443819089,EMOLS-id_320106037	328.392	JDTQXEAFOGRODT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057953
Nc1nn2c(c1)CN(CCC2)C(=O)Nc1nc2c(s1)cccc2	MCULE-3782973358,EMOLS-id_320206548	328.392	SCAVADGLNUVEGB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057954
N#C/C(=C
/NN=C2N1CCCCC2)/C(=O)CSc1ncccn1	CoCoCo_4171436,PC-id_16358741,GD-id_ZINC09530714	328.392	SWLSSQZOALCVFP-SDNWHVSQSA-N	00000011000000100111000000000010000000000000000000000000	31-01-057955
N#C/C(=C/1NN=C2N1CCCCC2)/C(=O)CSc1ncccn1	CoCoCo_4171437	328.392	SWLSSQZOALCVFP-KAMYIIQDSA-N	00000011000000100111000000000010000000000000000000000000	31-01-057956
N#CC(=C1NN=C2N1CCCCC2)C(=O)CSc1ncccn1	PC-id_72065637,MCULE-5277516575,EMOLS-id_26211554	328.392	SWLSSQZOALCVFP-UHFFFAOYSA-N	00000011000000100111000000000010000000000000000000000000	31-01-057957
O=C(c1cccs1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	PC-id_97463077,ZINC22_96188643	328.392	WYWCTYSOIHRNRW-GFCCVEGCSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057958
O=C(c1cccs1)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_96188642,PC-id_97463076	328.392	WYWCTYSOIHRNRW-LBPRGKRZSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057959
O=C(c1cccs1)N1CCc2ncc(Cn3cncn3)n2CC1	PC-id_97390225,ZINC22_96067919,EMOLS-id_46161877	328.392	JQZBKTNMXLSUTQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057960
O=C(C1CCn2c(CC1)nnc2)NCc1sc2c(n1)cncc2	EMOLS-id_319269713	328.392	NGEPUAFAUXJLQC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057961
O=C(c1ccnc2c1[nH]nn2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98047981	328.392	CNAMIKGPYPPTJS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057962
O=C(c1ccsc1)N1CCc2ncc(Cn3cncn3)n2CC1	EMOLS-id_44328927,PC-id_97467140,ZINC22_96196996	328.392	WDCNQQDNZDJWRG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057963
O=C(c1cnc2c(c1)nnn2C)Nc1nc2c(s1)CCCCC2	EMOLS-id_111066006	328.392	KHFWNOKQSMBVBM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057964
O=C(c1cnc2c(c1)nn[nH]2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98674036	328.392	SVFISXZXYGSZHT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057965
O=C(c1csc(n1)c1cnc[nH]1)N1CCCc2c(C1)cnn2C	MCULE-9696272556,EMOLS-id_319901892	328.392	KXQLQWNSFADXPT-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-057966
O=C(c1cscn1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	PC-id_97389378,ZINC22_96067054	328.392	WODQDMGFDWYWMZ-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057967
O=C(c1cscn1)N1Cc2nccn2C[C@H](Cn2cccn2)C1	PC-id_97389379,ZINC22_96067055	328.392	WODQDMGFDWYWMZ-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057968
O=C(c1cscn1)N1CCc2n(CC1)c(cn2)Cn1cccn1	PC-id_97467096	328.392	QATYSTQDCHSYJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057969
O=C(N1CCCCc2c1sc(n2)C)Cc1nn2c(n1)nccc2	EMOLS-id_319242516	328.392	GPZHUEFINZTDEL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057970
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc2c(c1)cns2	EMOLS-id_319024891	328.392	DRYUCILZBZNYEM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057971
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc2c(c1)scn2	EMOLS-id_320251168,MCULE-1343438525	328.392	OEEIWWPFLLECIN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057972
O=C(N1CC(Cn2cccn2)Cn2ccnc2C1)c1cscn1	EMOLS-id_46160677	328.392	WODQDMGFDWYWMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057973
O=C(N1CC(Cn2cncn2)Cn2ccnc2C1)c1cccs1	EMOLS-id_44326485	328.392	WYWCTYSOIHRNRW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057974
O=C(NCc1cccc2ncsc12)[C@@H]1CCCCn2nnnc12	ZINC22_2356162192	328.392	BKSJFRDVGMQGMJ-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057975
O=C(NCc1cccc2ncsc12)[C@H]1CCCCn2nnnc12	ZINC22_2356162193	328.392	BKSJFRDVGMQGMJ-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-057976
O=C(NCc1nc2ccccc2s1)[C@H]1CCCCn2nnnc12	ZINC22_299755178	328.392	CYTJUQLIRFECSQ-JTQLQIEISA-N	00000000100000100101000001000010000000000000000000000000	31-01-057977
O=C(NCc1nc2ccccc2s1)[C@@H]1CCCCn2nnnc12	ZINC22_299755180	328.392	CYTJUQLIRFECSQ-SNVBAGLBSA-N	00000000100000100101000001000010000000000000000000000000	31-01-057978
Cc1nc2c(s1)N(CCCC2)C(=O)c1cscc1C(F)F	EMOLS-id_319662321	328.401	GWHVTQJSUUPWHU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-057979
CCC(CCN(CCCN1CCCC(=O)c2c1[nH]nc2)C)(F)F	PC-id_145612940	328.401	JBAVIGUVWLRPEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-057980
CCCCc1cc(c2-c1ccc(cc2)CC(=O)OC)C(=O)OCC	PC-id_141580588	328.402	OYEHCTHSJHKSQC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057981
CCCCCCc1cc(c2-c1cc(ccc2)C(=O)O)C(=O)OCC	PC-id_141580526	328.402	TWSDVRFLDJGOAT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057982
CCOC(=O)c1cc(c2-c1ccc(cc2)CC(=O)OC)CC(C)C	PC-id_141580521	328.402	ZJYGSEQSLAPHQH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057983
o1c2CC(CCC#CC(O)C/C(=C/c1cc2C(=O)OC)/C)C(=C)C	PC-id_10544265	328.402	JFILGRDGWSUKFM-GXDHUFHOSA-N	00000000100000000110000000000010000000000000000000000000	31-01-057984
o1c2CC(CCC#CC(O)CC(=Cc1cc2C(=O)OC)C)C(=C)C	PC-id_74821846	328.402	JFILGRDGWSUKFM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-057985
O(C(=O)c1c2-c(ccccc2C(C)(C)C)c(c1)C(=O)OCC)CC	PC-id_10687730	328.402	GXXHHURRLDCOBN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057986
O(C(=O)c1c2-c(ccc(C(C)(C)C)cc2)c(c1)C(=O)OCC)CC	PC-id_10830135	328.402	NRLBIZONLIBPSH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057987
c1(NC(=O)c2ccccc2F)sc2c(CCCCCC2)c1C#N	ZINC22_483779,SPECS-id_AK-968/12384272,EMOLS-id_4010087,MCULE-7695839870,CoCoCo_5819442,PC-id_903547	328.404	KJBXUFUWQBHRFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057989
c1(NC(=O)c2cccc(F)c2)sc2c(CCCCCC2)c1C#N	CoCoCo_5822579,ZINC22_484172,MCULE-1227748142,PC-id_903817,EMOLS-id_4010083,SPECS-id_AK-968/13407036	328.404	BZADPQVFHLKTJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057990
c1(NC(=O)Cc2ccc(cc2)F)sc2c(CCCCC2)c1C#N	CoCoCo_5174559,ChEMBL-DNDi_CHEMBLF2726-0782,ZINC22_5268348,EMOLS-id_5605297,PC-id_7597214,MCULE-8733458101	328.404	LMBYUBMGHAQCJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057991
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C#Cc1ccccc1	PC-id_101485102	328.404	SEJYNDFWSJMNFB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-057992
o1c(C(=O)c2c3-c(c(CCC)c2)ccccc3)cc2c1c(ccc2)C	PC-id_10914434	328.404	ACABOWOXEOEXDV-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-057993
o1c(C(=O)c2c3-c(c(CCC)c2)ccccc3)cc2c1ccc(c2)C	PC-id_11131271	328.404	BTCNTQCNVUGSOB-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-057994
O(c1c(Cc2c3-c(cc2OC)ccccc3)c2-c(c1)ccccc2)C	PC-id_14116442	328.404	KGPYKDDHVIHEOZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057995
OCc1c2-c(c(Cc3c4-c(c(c3)CO)ccccc4)c1)ccccc2	PC-id_44552060	328.404	GKUSGYYZPCAECV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-057996
s1c2CCCCCc2cc1C(=O)NC(c1c(F)cccc1)C#N	PC-id_56515394	328.404	SSEGWEJSKPTEQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057997
s1c2CCCCCCc2c(c1NC(=O)c1ccc(F)cc1)C#N	PC-id_3612956	328.404	MCPVCFORPBBSHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-057998
c1(c2CCCCCc2on1)C(=O)N(C1CCCC1)Cc1ccco1	TIMTEC234409,ZINC22_9227037,MCULE-9873223731,CoCoCo_2401444,PC-id_16043948,EMOLS-id_16234869	328.405	JDKBAKRWEYLKHV-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-057999
c1ccc(cc1)C#Cc1ccc2-c(c(c1)C#Cc1ccccc1)ccc2	PC-id_102112034	328.405	WUUYNQDTBGLHOC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-058000
c1ccc(cc1)C#Cc1ccc2-c(cc1)cc(c2)C#Cc1ccccc1	PC-id_102112032	328.405	SFPDULFUISFUSS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-058001
c1ccc(cc1)C#Cc1c(C#Cc2ccccc2)cc2-c1ccccc2	PC-id_102112033	328.405	HJRLJBVCDHZKNM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-058002
CCc1cc2n(c1C(=O)c1cccn1CC)CCCCC2C(=O)O	SCHEMBL11196725,PC-id_70534773	328.405	ZXFJVUZBEOXHJJ-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-058003
CCCCn1cccc1C(=O)c1ccc2n1CCCCC2C(=O)O	SCHEMBL11203153,PC-id_70536684	328.405	NXJVRYAJUQUVLB-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-058004
CCCn1cccc1C(=O)c1c(C)cc2n1CCCCC2C(=O)O	SCHEMBL11206089,PC-id_70537655	328.405	MOMUMDVAEINGIS-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-058005
CCCOC(=O)C1CCCCn2c1ccc2C(=O)c1cccn1C	SCHEMBL11196609,PC-id_70534741	328.405	JWQMLABPPZTLCL-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-058006
CC(NC(=O)N1CCCc2c(C1)cco2)COc1ccc(cc1)C	EMOLS-id_318448610	328.405	JBXNSHKYEYGEMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058007
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1cccn1C)C	PC-id_145799205	328.405	LGQMORWGTRAQPK-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-058008
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1[nH]ccc1)C)C	SCHEMBL11193814,PC-id_70534108	328.405	OHEYXLHVLOPPIW-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-058009
COCCC1CN(Cc2cccn2C1)C(=O)c1cccc(OC)c1	EMOLS-id_313836073	328.405	PXBSXCMJHMELNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058010
COCC[C@@H]1CN(C(=O)c2cccc(OC)c2)Cc2cccn2C1	ZINC22_585095406	328.405	PXBSXCMJHMELNH-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058011
COCC[C@H]1CN(C(=O)c2cccc(OC)c2)Cc2cccn2C1	ZINC22_585095409	328.405	PXBSXCMJHMELNH-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058012
O=C(c1noc2c1CCCCC2)N1CCCCCC1c1ccco1	EMOLS-id_111422045	328.405	KEYGVWNERRJTBH-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-058013
OCCN(C(=O)c1noc2c1CCCCC2)Cc1ccc(cc1)C	EMOLS-id_318190141	328.405	PGUYRWGFUDEXSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058014
ONC(C=Cc1c2-c(c([N+](=O)[O-])c1)c(ccc(C(C)C)c2)C)(C)C	PC-id_54297218	328.405	SBQCIHGMFOOABY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058015
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C)C(=O)[O-]	PC-id_3644362	328.405	ZTOMHNQMRUBYGE-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-058016
CN(Cc1cc(c2-c1ccccc2)C=C1C(=O)Nc2c1cccc2)C	PC-id_59301626,SCHEMBL3287012	328.407	LUPAYKKONKHKJE-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-058017
CN(Cc1cc(c2-c1ccccc2)/C=C/1C(=O)Nc2c1cccc2)C	PC-id_59301656,SCHEMBL3287008	328.407	LUPAYKKONKHKJE-MOSHPQCFSA-N	00000010100000100110000000001010000000000000000000000000	31-01-058018
CN(Cc1cc(c2-c1ccccc2)/C=C
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COC1=CCC=c2c(=C1)n(CC)c(c2C#N)C#Cc1ccccc1C	PC-id_143184463	328.407	XMAPAIHOIIHANH-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-058020
Fc1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)cc1	ZINC22_3236598,PC-id_2354445,MCULE-4918505929,CoCoCo_3697593	328.407	QMWLLLMUMCVBPF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-058021
N#Cc1c(C#Cc2cccc(c2)OC)n(c2=CC(=CCC=c12)C)CC	PC-id_143184416	328.407	AITZYLVEKZLTCE-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-058022
s1c2c(CCCCC2)c(c1NS(=O)(=O)CCC(=O)O)C#N	PC-id_43173123	328.407	XVCXWEVJQJGDPP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-058023
s1c2c(CCCCC2)c(c1NS(=O)(=O)C(C)C(=O)O)C#N	PC-id_61455382	328.407	UBIRQCDWBIWYFR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-058024
c12CN(CCCn1nc(CO)c2)CC(=O)NCCc1ccccc1	EMOLS-id_55623648,PC-id_91767416,MCULE-6911654686	328.409	XXVJQLNLNGMMBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058025
c1(ccc(=O)[nH]c1CC)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	MCULE-8951303617,ZINC22_1940195519,EMOLS-id_336495795	328.409	VAOGXYDVEKQZFG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058026
C1CCn2c(CC1)nnc2CNc1ccccc1OC1CCOC1	EMOLS-id_318138766	328.409	RWWBINKVRHZLKM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-058027
c1cncc(OCc2ncn3c2CN(C[C@@H]2CCOC2)CCC3)c1	PC-id_97520057,ZINC22_96259977	328.409	FUWGKLDNGYJEGA-HNNXBMFYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-058028
c1cncc(OCc2ncn3c2CN(C[C@H]2CCOC2)CCC3)c1	ZINC22_96259978,PC-id_97520058	328.409	FUWGKLDNGYJEGA-OAHLLOKOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-058029
c1(C(=O)OC)cc2n(CCCN(C(C)Cc3ccc(cn3)C)C2)n1	PC-id_50983556,MCULE-4576266452,EMOLS-id_32435026	328.409	YVWIDSCYFHDLND-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058030
Cc1ccc(c(c1)C)N(C(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_87029197	328.409	GCDVFUQLCQTLTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058031
Cc1ccc(cc1)OC(C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_318393653	328.409	LUIPPKXBYWOWPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058032
Cc1cc(C)cc(c1)C(CNC(=O)C1CCn2c(CC1)nnc2)O	EMOLS-id_316782090	328.409	BLLWRSHVFUGBHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058033
Cc1ccc(CN2Cc3nccn3C[C@H](CN3CCCC3=O)C2)o1	PC-id_97462854,ZINC22_96188416	328.409	HHWOSNCUXPVQCN-OAHLLOKOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058034
Cc1ccc(CN2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)o1	PC-id_97462855,ZINC22_96188417	328.409	HHWOSNCUXPVQCN-HNNXBMFYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058035
Cc1ccc(CN2CC(CN3CCCC3=O)Cn3ccnc3C2)o1	EMOLS-id_44326255	328.409	HHWOSNCUXPVQCN-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058036
Cc1cc(C)c(NC(=O)Cn2c(=O)n3c(CCCCC3)n2)c(C)c1	MCULE-9709341835,EMOLS-id_44013865,SPECS-id_AT-687/NB01949,ZINC22_12759034,CoCoCo_4406393,PC-id_17524599	328.409	QFNNTUNXGQQIMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058037
Cc1ccc(C(=O)N2Cc3nccn3C[C@H](CN3CCCC3)C2)o1	ZINC22_1565552721	328.409	UKRWMPSWNUIILO-HNNXBMFYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058038
Cc1ccc(C(=O)N2Cc3nccn3C[C@@H](CN3CCCC3)C2)o1	ZINC22_1614932888	328.409	UKRWMPSWNUIILO-OAHLLOKOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058039
Cc1ccc(C(=O)N2CCCn3cnc(CN4CCCC4)c3C2)o1	EMOLS-id_44370116,PC-id_97519370,ZINC22_96259286	328.409	NPIOIFNZSTXCFU-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058040
Cc1cc(CN2Cc3cccn3C[C@@H](C(=O)NCC3CC3)C2)no1	ZINC22_247928419	328.409	PYWJOIWWRHGCOO-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058041
Cc1cc(CN2Cc3cccn3C[C@H](C(=O)NCC3CC3)C2)no1	ZINC22_247928424	328.409	PYWJOIWWRHGCOO-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058042
Cc1cc(CN2CC(Cn3cccc3C2)C(=O)NCC2CC2)no1	EMOLS-id_50013946	328.409	PYWJOIWWRHGCOO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058043
Cc1ccc(o1)C(=O)N1CC(CN2CCCC2)Cn2ccnc2C1	EMOLS-id_313723357	328.409	UKRWMPSWNUIILO-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058044
Cc1c(cnn1C1CCCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111335648	328.409	PXSVRVCOWXGTOD-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-058045
Cc1ccoc1C(=O)N1CCc2ncc(CN3CCCC3)n2CC1	PC-id_97467007,EMOLS-id_44328659,ZINC22_96196863	328.409	DCAOIGJSSVIUCR-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058046
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(n1)OC(C)(C)C	EMOLS-id_318939922	328.409	QJVLJHSQCWFDFH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058047
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(o1)CN1CCCC1	MCULE-3879874973,EMOLS-id_319926008	328.409	UODUJGAIFYVHMI-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058048
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1coc(n1)C1CCCCC1	MCULE-7790489861,EMOLS-id_320045169	328.409	DMAUSNVKHUXQDJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-058049
Cc1n[nH]c(c1)C1CCCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_319105417	328.409	YRRKFFICRDWAPR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-058050
Cc1n[nH]c(c1)C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111935446	328.409	VZXJERABEAEYLE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-058051
Cc1occc1C(=O)N1Cc2ccnn2CCC1CN1CCCC1	EMOLS-id_313815852	328.409	FWYGABQFPOPMKV-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058052
Cc1occc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1	ZINC22_585096949	328.409	FWYGABQFPOPMKV-HNNXBMFYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058053
Cc1occc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1	ZINC22_585096952	328.409	FWYGABQFPOPMKV-OAHLLOKOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058054
Cc1occc1C(=O)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	PC-id_97462804,ZINC22_96188365	328.409	CKESQAWBKAAMQI-OAHLLOKOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058055
Cc1occc1C(=O)N1Cc2nccn2C[C@H](CN2CCCC2)C1	ZINC22_96188364,PC-id_97462803	328.409	CKESQAWBKAAMQI-HNNXBMFYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058056
Cc1occc1C(=O)N1CC(CN2CCCC2)Cn2ccnc2C1	EMOLS-id_44326205,PC-id_118745038,CHEMBL3552119	328.409	CKESQAWBKAAMQI-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058057
Cc1oc(CN2CC(Cn3nccc3C2)C(=O)NCC2CC2)cc1	CHEMBL3551342,PC-id_118746003	328.409	WHXLKDKOPIWTAE-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058058
CC(c1ccc2c(c1)OCO2)(NCc1nnc2n1CCCCC2)C	EMOLS-id_318680841,MCULE-7754689519	328.409	BQOPOOWCFMHYAO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058059
CCc1ccc(cc1)C(CNC(=O)C1CCn2c(CC1)nnc2)O	EMOLS-id_319591932	328.409	DVLCPDIBIJGGLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058060
CCc1ccc(cc1)CNC(=O)C1CCCCc2n1c(=O)n(n2)C	PC-id_146048531,EMOLS-id_207869469,MCULE-1866740406	328.409	WHTNUVAUOSCKLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058061
CCc1ccc(c(c1)C(=O)N(Cc1nnc2n1CCCCC2)C)O	EMOLS-id_318509771	328.409	OTUIJSZUMHIPRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058062
CCc1ccc(cc1)NC(=O)N1CCCc2c(C1)n(C)nc2OC	PC-id_97515533	328.409	XRIJWTGZKJOJKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058063
CCc1ccccc1NC(=O)N1CCCc2c(OC)nn(C)c2C1	ZINC22_96058584,EMOLS-id_46147533,PC-id_97381241	328.409	MFYGYTPJXDSXSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058064
CCc1cccc(C)c1NC(=O)Cn1nc2CCCCCn2c1=O	SPECS-id_AT-687/NB01968,PC-id_36422456,CoCoCo_4406413,MCULE-4059137063,ZINC22_29235746,EMOLS-id_24069034	328.409	WPPYHPWTDJBOIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058065
CC(c1ccc(NC(=O)Cn2c(=O)n3c(CCCCC3)n2)cc1)C	PC-id_24242507,EMOLS-id_17194516,MCULE-8227608754,ZINC22_25051883,CoCoCo_4406361,SPECS-id_AT-687/NB01943	328.409	PWBIWKOWSWTDJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058066
CC(c1nn2c(c1)CCCC2)NC(=O)c1noc2c1CCCCC2	EMOLS-id_320234858,MCULE-5032258736	328.409	OOCVWDQCMVKZEB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058067
CC(C)c1ccccc1NC(=O)Cn1nc2n(c1=O)CCCCC2	CoCoCo_4447319,MCULE-9130272584,ZINC22_11049282,PC-id_41793746,EMOLS-id_18908094	328.409	RCCVSGQSTFOEQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058068
CC(C)c1cccc(NC(=O)Cn2nc3CCCCCn3c2=O)c1	ZINC22_29199889,EMOLS-id_48461791,PC-id_36387593,SPECS-id_AT-687/NB01977,MCULE-4999732100	328.409	AUICGCPWUQIEEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058069
CCCc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1	PC-id_41794155,CoCoCo_4447342,ZINC22_11050476,EMOLS-id_18843844,MCULE-2372424821	328.409	HFPUEMXLGSUYHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058070
CC(Cc1nc(O)cc(c1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_318129810	328.409	NXRPJKPCGOMSBI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058071
CC(Cc1nc(O)cc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319196759	328.409	PUJUBVABVCYCLI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058072
CCC(c1nnc2n1CCCCC2)NCc1cccc(c1)C(=O)O	EMOLS-id_72765497,MCULE-5179235407,PC-id_122030884	328.409	ANSYEEYVXQRSFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058073
CCC(c1nnc2n1CCCCC2)NCc1ccc(cc1)C(=O)O	PC-id_122030883	328.409	RQOCFSBNLFUZGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058074
CCC(C(=O)NCc1nnc2n1CCCCC2)Oc1ccccc1	MCULE-2392204203,EMOLS-id_31875418,PC-id_45805015	328.409	RDFCPNSCKSPGGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058075
CC[C@@H](Oc1ccccc1)C(=O)NCc1nnc2n1CCCCC2	CoCoCo_4625732,PC-id_93608701,ZINC22_40489050	328.409	RDFCPNSCKSPGGL-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058076
CC[C@H](Oc1ccccc1)C(=O)NCc1nnc2n1CCCCC2	ZINC22_40489049,CoCoCo_4625733,PC-id_93608700	328.409	RDFCPNSCKSPGGL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058077
CC(Cn1cccc(c1=O)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319554021	328.409	SWVOIHZZMDDOOQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058078
CCCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1O	EMOLS-id_320273384,MCULE-4851542003	328.409	FZJCLPKZLZSBIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058079
CC(COc1ccccc1NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_278115359	328.409	OVTYWXKSOFFOEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058080
CCCOc1cc(C)ccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319980159,MCULE-8432133964	328.409	JMGVAURENFRBTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058081
CCCOc1ccc(CCCn2c3NC=NCC(O)c3nc2)cc1	PC-id_9973793,PD074310,MCULE-4866538226	328.409	YUWNQCIXHWWQCW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-058082
CCCOc1cccc(C(=O)NCc2nnc3n2CCCCC3)c1	EMOLS-id_32000192,MCULE-1040606282,ZINC22_40549790,CoCoCo_4936268,PC-id_45830392	328.409	RTUNUTZKZSSZLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058083
CCC(Oc1nccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_320162755,MCULE-4231808411	328.409	UIBKAWAIHIPMJF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058084
CCCOc1nc(C)ccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-3922181741,EMOLS-id_320183208	328.409	IQBSQNZZNFADAS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058085
CC(C(=O)NCc1nnc2n1CCCCC2)OCc1ccccc1	PC-id_45816173,EMOLS-id_31917530,MCULE-8999450212	328.409	JXWAFPLBABCZIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058086
C[C@H](NCCc1nnc2n1CCCCC2)c1ccc2c(c1)OCO2	ZINC22_126537792	328.409	FSUZPMIBCVLHMF-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058087
C[C@@H](NCCc1nnc2n1CCCCC2)c1ccc2c(c1)OCO2	ZINC22_126537990	328.409	FSUZPMIBCVLHMF-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058088
C[C@@H](OCc1ccccc1)C(=O)NCc1nnc2n1CCCCC2	CoCoCo_4860554,ZINC22_40514056,PC-id_93613999	328.409	JXWAFPLBABCZIU-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058089
C[C@H](OCc1ccccc1)C(=O)NCc1nnc2n1CCCCC2	ZINC22_40514055,CoCoCo_4860555,PC-id_93613998	328.409	JXWAFPLBABCZIU-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058090
CCN(Cc1ccccc1)C(=O)Cn1nc2CCCCCn2c1=O	MCULE-5106121979,EMOLS-id_48467461,PC-id_78831912	328.409	KIUBOMIEHGFQAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058091
CCN(C(=O)C1CCCCc2n1c(=O)n(n2)C)Cc1ccccc1	MCULE-6460270157,EMOLS-id_207869436	328.409	WRYSLLYLQXRQTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058092
CCNC(=O)c1cccc(C)c1OCc1nnc2n1CCCCC2	ZINC22_278733595,MCULE-3924346096,PC-id_121578486,EMOLS-id_76042270	328.409	USQSKPAEXULZPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058093
CC(NC(=O)C1CCn2c(CC1)nnc2)COc1ccc(cc1)C	EMOLS-id_320042306,MCULE-5375320644	328.409	XUWWIIHMISTBCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058094
CC(Oc1cccc(c1)C)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319301183	328.409	XUVHISDXTPKXKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058095
CCOc1ccccc1CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320139791,MCULE-2871229340	328.409	VECFUQOYBYHQCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058096
CC(Oc1ccc(cc1)CNC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319373286	328.409	KERUEDHJPSCMMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058097
CC(Oc1ccc(c(c1)C)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_320020900,MCULE-9213214909	328.409	YUYZAYMRASMYGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058098
CCOc1ccccc1CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318209539	328.409	BSFCXTMKOVYYIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058099
CCOc1ccc(cc1)C(=O)NC(c1nnc2n1CCCCC2)C	MCULE-2058296051,EMOLS-id_35688564,PC-id_53503702	328.409	FNBGICDIVJQAOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058100
CCOc1ccc(cc1)NC(=O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319088211	328.409	ZMKSRTPJCUAKGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058101
CCOc1cccc(CC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)n1	PC-id_136552867,ZINC22_852980464,MCULE-4078913526,EMOLS-id_316875245	328.409	RIGHNDZXVOZLMC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058102
CCOc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1	PC-id_47017156,EMOLS-id_30697210,ZINC22_48304102,MCULE-3127876532	328.409	FNYKNFRCPUSVFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058103
CCOc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1	ZINC22_29252931	328.409	FNBGICDIVJQAOX-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058104
CCOc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1	ZINC22_29252938	328.409	FNBGICDIVJQAOX-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058105
CCOCc1ccccc1CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319539444	328.409	LKZVPVMEDNDPMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058106
CC(OCc1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2)C	MCULE-2187849115,EMOLS-id_320258414	328.409	ORMMHJMHZVYSQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058107
CCOCC1CN(Cc2nccn2C1)C(=O)NCc1ccccc1	EMOLS-id_44325851	328.409	XZNMSTDSZNGPEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058108
CC(OCc1ncn2c1CN(CCC2)C(=O)c1cncc(c1)C)C	PC-id_97520002	328.409	CSIZHXQOSCSEBW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058109
CCOC[C@H]1CN(C(=O)NCc2ccccc2)Cc2nccn2C1	ZINC22_96187818,PC-id_97462271	328.409	XZNMSTDSZNGPEU-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058110
CCOC[C@@H]1CN(C(=O)NCc2ccccc2)Cc2nccn2C1	ZINC22_96187819,PC-id_97462272	328.409	XZNMSTDSZNGPEU-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058111
Cn1cccc1[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCCCC2	ZINC22_191030701	328.409	SVKGYJUFHGFIEG-INIZCTEOSA-N	00000000110010000101100000000010000000000000000000000000	31-01-058112
Cn1cccc1[C@H]1COCCN1C(=O)c1n[nH]c2c1CCCCC2	ZINC22_191030716	328.409	SVKGYJUFHGFIEG-MRXNPFEDSA-N	00000000110010000101100000000010000000000000000000000000	31-01-058113
Cn1cccc1C(=O)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	ZINC22_248089105	328.409	BXXMIOIDMYZTHJ-HNNXBMFYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-058114
Cn1cccc1C(=O)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_248089109	328.409	BXXMIOIDMYZTHJ-OAHLLOKOSA-N	00100000110000000101000000000010000000000000000000000000	31-01-058115
Cn1cccc1C(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1	PC-id_97389189,ZINC22_96066854	328.409	HPQYKAKXJYRXGM-HNNXBMFYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-058116
Cn1cccc1C(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1	ZINC22_96066855,PC-id_97389190	328.409	HPQYKAKXJYRXGM-OAHLLOKOSA-N	00100000110000000101000000000010000000000000000000000000	31-01-058117
Cn1cccc1C(=O)N1CC(COCC2CC2)Cn2ccnc2C1	EMOLS-id_46160471	328.409	HPQYKAKXJYRXGM-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-058118
Cn1cccc1C(=O)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_44327039	328.409	BXXMIOIDMYZTHJ-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-058119
Cn1c(=O)n2CCC(CCc2n1)N(C)Cc1cc2c(cc1)OCC2	MCULE-6228527433,EMOLS-id_50586193,PC-id_91910869	328.409	RBXNTAYJEHONJX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058120
Cn1nc(C2CCCC2)cc1NC(=O)c1noc2c1CCCCC2	MCULE-2215047993,PC-id_136534016,ZINC22_157583756,EMOLS-id_111935746	328.409	XMICBIBWXIQCDO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-058121
CN(C1CCc2nnc(C)n2CC1)C(=O)COCc1ccccc1	EMOLS-id_50590454,PC-id_91922635,MCULE-9096153099	328.409	JMOKQTFASFZNBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058122
CN(C)Cc1cnc2CCN(Cc3ccc4OCOc4c3)CCn12	EMOLS-id_44328501,PC-id_97466930,ZINC22_96196785	328.409	WBNUHQGLPUKJTP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058123
CN(C)CC1CN(Cc2ccc3OCOc3c2)Cc2nccn2C1	EMOLS-id_44326071,PC-id_118746944	328.409	MDJBIOLULNOYMY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058124
CN(C)CCC(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575402711	328.409	AYVQYQVGSHQVMM-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058125
CN(C)CCC(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575402714	328.409	AYVQYQVGSHQVMM-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058126
CN(C)CCC(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751453	328.409	AYVQYQVGSHQVMM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058127
CN(C)C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2nccn2C1	PC-id_97462644,ZINC22_96188201	328.409	MDJBIOLULNOYMY-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058128
CN(C)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2nccn2C1	ZINC22_96188203,PC-id_97462646	328.409	MDJBIOLULNOYMY-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058129
CN(C(=O)c1cc2c(o1)CCCC2)Cc1nnc2n1CCCCC2	EMOLS-id_319203062	328.409	ADDBQXRMHKMOQE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058130
CN(C(=O)C1CCn2c(CC1)nnc2)CC(c1ccccc1)(O)C	EMOLS-id_316649833	328.409	PUEFSJOKQQHYSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058131
CN(C(=O)Cc1ccc(c(c1)O)C)Cc1nnc2n1CCCCC2	EMOLS-id_318643893	328.409	LDKQQEZWHZXULV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058132
CNC(=O)CC1CN(Cc2cccnc2OC)Cc2cccn2C1	EMOLS-id_313813281	328.409	WALRYTIUNRDZAJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058133
CNC(=O)C[C@H]1CN(Cc2cccnc2OC)Cc2cccn2C1	ZINC22_585099221	328.409	WALRYTIUNRDZAJ-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058134
CNC(=O)C[C@@H]1CN(Cc2cccnc2OC)Cc2cccn2C1	ZINC22_585099222	328.409	WALRYTIUNRDZAJ-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058135
COc1ccccc1CCC(=O)NC1CCc2nnc(C)n2CC1	MCULE-9962170604,PC-id_91922570,EMOLS-id_50590197	328.409	CTZDQNBDDOMJNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058136
COc1cccc(c1)C(C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)N	EMOLS-id_318317203	328.409	YGAXYUVQBMMUJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058137
COc1ccc(cc1)CC(=O)NC(c1nnc2n1CCCCC2)C	EMOLS-id_35688556,PC-id_53503152,MCULE-1734278498	328.409	HYBZGTKDWCGSFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058138
COc1ccccc1CC(=O)NCCc1nnc2n1CCCCC2	MCULE-1119482620,ZINC22_54450889,PC-id_47016860,EMOLS-id_31363327	328.409	TVCVZGSUZQNYPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058139
COc1ccc(cc1)Cn1c2c(cn1)C(=O)CCCN2CCCN	SCHEMBL15130302,PC-id_89705499	328.409	LQHQAUYWYZQKJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058140
COc1ccc(cc1)C(NC(=O)C1CCn2c(CC1)nnc2)CC	EMOLS-id_319149559	328.409	RXDGBVAQWSWXOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058141
COc1ccccc1C(NC(=O)C1CCn2c(CC1)nnc2)(C)C	EMOLS-id_319505162	328.409	HHKMJJJSGOPXGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058142
COc1ccc(cc1)CN(C(=O)C1CCn2c(CC1)nnc2)CC	EMOLS-id_319589607	328.409	RGOVJFTYSYBNJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058143
COc1ccccc1CNC(=O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318922203	328.409	HMEDWEJJTMXEBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058144
COc1ccc(cc1)C(=O)N1CCc2ncc(CN(C)C)n2CC1	PC-id_97466957,EMOLS-id_44328555,ZINC22_96196812	328.409	TVQYNGMUMVDZIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058145
COc1cccc(c1)C(=O)N1CCc2ncc(CN(C)C)n2CC1	ZINC22_96196811,PC-id_97466956,EMOLS-id_44328553	328.409	QQENUVHOPMYLFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058146
COc1ccc(cc1)C(=O)N1CC(CN(C)C)Cn2nccc2C1	EMOLS-id_55731640	328.409	WZGFRZIDFYPBQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058147
COc1ccccc1NC(=O)C(N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319077024	328.409	UTFGXEKRWVLVAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058148
COc1ccc(cc1NC(=O)CN1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319887851,MCULE-9286416419	328.409	XIQUBQACDDDIRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058149
COc1cc(C)cc(c1C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101870244	328.409	SEPJEXRUTDXDNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058150
COc1c(C)ccc(c1C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101944686	328.409	IOVFPTMVHKRGKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058151
COc1cccc(CC(=O)NCCc2nnc3n2CCCCC3)c1	MCULE-9581904816,EMOLS-id_30715983,ZINC22_48326728,PC-id_47017160	328.409	LETPRPNTBDBXND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058152
COc1c(C)cc(C(=O)NCc2nnc3n2CCCCC3)cc1C	EMOLS-id_75971965,ZINC22_179685645,PC-id_119043249,MCULE-9465849621	328.409	BKJDHBOECKWWIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058153
COc1ccc(CC(=O)NCCc2nnc3n2CCCCC3)cc1	ZINC22_54536014,EMOLS-id_31364233,MCULE-4371501960,PC-id_47017152	328.409	HDMJGPACHFGLLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058154
COc1ccc(CC(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1	ZINC22_29901804	328.409	HYBZGTKDWCGSFW-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058155
COc1ccc(CC(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1	ZINC22_29901806	328.409	HYBZGTKDWCGSFW-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058156
COc1ccc(CN2CCc3nn(CC4CC4)c(=O)n3CC2)cc1	EMOLS-id_55716826,MCULE-7578191395	328.409	PJXCXWJIAVNUMN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-058157
COc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CN(C)C)C2)cc1	ZINC22_306142431	328.409	WZGFRZIDFYPBQU-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058158
COc1ccc(C(=O)N2Cc3ccnn3C[C@H](CN(C)C)C2)cc1	ZINC22_306142432	328.409	WZGFRZIDFYPBQU-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058159
C(Oc1cccnc1)c1ncn2CCCN(CC3CCOC3)Cc12	EMOLS-id_44371486	328.409	FUWGKLDNGYJEGA-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-058160
COc1cc(C(=O)NCCc2nnc3n2CCCCC3)ccc1C	EMOLS-id_30696346,ZINC22_48303464,MCULE-5289059356,PC-id_47017164	328.409	VYEZOLUFLQWPOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058161
COc1cncc(c1C)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_316391667,MCULE-8622999108	328.409	GYXHTNFSWINFRW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058162
COc1ncccc1CN1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_247832673	328.409	HWKTUXWSSPQWJB-KRWDZBQOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-058163
COc1ncccc1CN1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_247832675	328.409	HWKTUXWSSPQWJB-QGZVFWFLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-058164
COc1ncccc1CN1CC(Cn2nccc2C1)OCC1CC1	EMOLS-id_50011246	328.409	HWKTUXWSSPQWJB-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-058165
COCc1nnc2CC(C)N(CCn12)C(=O)Cc1ccccc1C	EMOLS-id_313824552	328.409	TZRNDYCPDDLHCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058166
COCc1nnc2CC(C)N(CCn12)C(=O)Cc1ccc(C)cc1	EMOLS-id_313823786	328.409	OJVJEULHXJLZHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058167
COCc1nnc2n1CCN(C(=O)Cc1ccccc1C)[C@@H](C)C2	ZINC22_585098476	328.409	TZRNDYCPDDLHCM-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058168
COCc1nnc2n1CCN(C(=O)Cc1ccccc1C)[C@H](C)C2	ZINC22_585098477	328.409	TZRNDYCPDDLHCM-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058169
COCc1nnc2n1CCN(C(=O)Cc1ccc(C)cc1)[C@@H](C)C2	ZINC22_585097772	328.409	OJVJEULHXJLZHI-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058170
COCc1nnc2n1CCN(C(=O)Cc1ccc(C)cc1)[C@H](C)C2	ZINC22_585097773	328.409	OJVJEULHXJLZHI-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058171
COCC(NC(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1	MCULE-7630684607,EMOLS-id_320041872	328.409	XYPJXIXPTICELO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058172
COC(=O)c1cc2n(n1)CCCN([C@H](C)Cc1ccc(C)cn1)C2	ZINC22_65528284,PC-id_95147572	328.409	YVWIDSCYFHDLND-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058173
COC(=O)c1cc2n(n1)CCCN([C@@H](C)Cc1ccc(C)cn1)C2	ZINC22_65528285,PC-id_95147573	328.409	YVWIDSCYFHDLND-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058174
COC(=O)c1ccc(cc1)CN1CCn2c(CC1)nnc2C(C)C	CoCoCo_1314780,PC-id_29210582,CoCoCo_1314781	328.409	QQGTVLPYMMAGPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058175
n12CCCNCc1cc(CNC(=O)CCCOc1ccccc1)n2	EMOLS-id_44439573,ZINC22_82121030,PC-id_70750489,MCULE-3237114093	328.409	GCCSKMCTABPCPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058176
Oc1ccc(c(c1)C)CC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319055462	328.409	NZACEPZXELVAEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058177
Oc1cccc(c1)CCC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319733637	328.409	CHPCEKKOUIORLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058178
Oc1cccc(c1)C(C(=O)N(Cc1nnc2n1CCCCC2)C)C	EMOLS-id_316604384	328.409	FAIHNZFKVNGAPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058179
Oc1ccc(c(c1)C(=O)NCCCc1nnc2n1CCCCC2)C	EMOLS-id_319475710	328.409	QVMXGKQAXRDHFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058180
O=C1CCCN1C[C@@H]1CCn2nccc2CN1C(=O)C1CC=CC1	ZINC22_585097143	328.409	HTLLZFWAJAMTED-HNNXBMFYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-058181
O=C1CCCN1C[C@H]1CCn2nccc2CN1C(=O)C1CC=CC1	ZINC22_585097146	328.409	HTLLZFWAJAMTED-OAHLLOKOSA-N	00000011100000000101000000000010000000000000000000000000	31-01-058182
O=C1CCCN1C[C@@H]1CCn2nccc2CN1C(=O)C1=CCCC1	ZINC22_585097147	328.409	HTSMJESSLASQJL-HNNXBMFYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-058183
O=C1CCCN1C[C@H]1CCn2nccc2CN1C(=O)C1=CCCC1	ZINC22_585097150	328.409	HTSMJESSLASQJL-OAHLLOKOSA-N	00000011100000000101000000000010000000000000000000000000	31-01-058184
O=C1CCCN1C[C@@H]1CN(C(=O)C2CC=CC2)Cc2nccn2C1	PC-id_97389319,ZINC22_96066991	328.409	XIRMFVYGJHQJNI-CQSZACIVSA-N	00000011100000000101000000000010000000000000000000000000	31-01-058185
O=C1CCCN1C[C@H]1CN(C(=O)C2CC=CC2)Cc2nccn2C1	ZINC22_96066990,PC-id_97389318	328.409	XIRMFVYGJHQJNI-AWEZNQCLSA-N	00000011100000000101000000000010000000000000000000000000	31-01-058186
O(c1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1)CC	PC-id_51304488	328.409	NGOJONJAFUVYTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058187
O=C1N(CCc2[nH]c(nc2C1Cc1cc(c(OC)c(c1)C)C)N)C	PC-id_49836959	328.409	BJWRAZWKBMDQHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058188
O=C(c1cc2c(o1)CCCC2)NCCc1nnc2n1CCCCC2	EMOLS-id_319511319	328.409	PQDBVIKWJZQJMW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058189
O=C(C1CCC1)NCc1cnc2n1CCN(CC2)Cc1ccco1	PC-id_97467201	328.409	UPFLHDOQKKPEIT-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-058190
O=C(C1CC=CC1)N1Cc2ccnn2CCC1CN1CCCC1=O	EMOLS-id_313818666	328.409	HTLLZFWAJAMTED-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-058191
O=C(C1CC=CC1)N1CC(CN2CCCC2=O)Cn2ccnc2C1	EMOLS-id_46160611	328.409	XIRMFVYGJHQJNI-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-058192
OC(c1ccccc1)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_111538640	328.409	QJZAXNBJTDZTHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058193
OCc1ccc(cc1)NC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319551699	328.409	LXPINFPMQQYWKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058194
O=C(c1ccco1)N1CCc2ncc(CN3CCCCC3)n2CC1	EMOLS-id_44328713,PC-id_97467034,ZINC22_96196890	328.409	RNBCIHOEXRWJAQ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-058195
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1OC(C)(C)C	EMOLS-id_316510346	328.409	JAPDIIQPDIKDNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058196
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1O)C(C)(C)C	EMOLS-id_316669269	328.409	KEHVMQOXLJQQHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058197
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(cc1)C(O)(C)C	EMOLS-id_316722349	328.409	SVEKDIMORHTHSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058198
O=C(C1CCn2c(CC1)nnc2)NCCC(c1ccccc1)(O)C	EMOLS-id_319895581,MCULE-7323511830	328.409	CFPHGUKWZJBWGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058199
O=C(c1ccoc1)N1CCc2ncc(CN3CCCCC3)n2CC1	ZINC22_96067898,EMOLS-id_46161833,PC-id_97390204	328.409	UTFPMMDFZLABCK-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-058200
O=C(c1noc2c1CCCCC2)N1CCC(CC1)Cc1[nH]ncc1	EMOLS-id_320002809,MCULE-5878950485	328.409	AGVIUROXEUXMAO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058201
O=C(c1noc2c1CCCCC2)N1CCC(CC1)Cn1ccnc1	EMOLS-id_318768874	328.409	SXPQVQRWOXVUFX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058202
O=C(c1noc2c1CCCCC2)Nc1n[nH]c(c1)C1CCCCC1	EMOLS-id_101053165	328.409	KGHRDAZWOONVRN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-058203
O=C(c1noc2c1CCCCC2)NCCc1cn2c(n1)CCCC2	EMOLS-id_100930236	328.409	UJHUWMJPNAJYCM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058204
O=C(CC1CC1)NCc1cnc2CCN(Cc3ccoc3)CCn12	EMOLS-id_44329007,PC-id_97467183,ZINC22_96197039	328.409	DWIBLPNOYQMZKT-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058205
O=C(CC1CC1)NCc1cnc2n1CCN(CC2)Cc1ccco1	PC-id_97467181	328.409	TYIOEMSRZJMPBQ-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058206
O=C(CC1CC1)NCC1CN(Cc2ccoc2)Cc2ccnn2C1	EMOLS-id_55737513	328.409	LUEKMTXTYJSTCH-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058207
O=C(CC1CC1)NC[C@H]1CN(Cc2ccoc2)Cc2ccnn2C1	ZINC22_306132847	328.409	LUEKMTXTYJSTCH-INIZCTEOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058208
O=C(CC1CC1)NC[C@@H]1CN(Cc2ccoc2)Cc2ccnn2C1	ZINC22_306132848	328.409	LUEKMTXTYJSTCH-MRXNPFEDSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058209
O=C(Cc1ccc(cc1C)O)NCCc1nnc2n1CCCCC2	EMOLS-id_319626767	328.409	IIGROUCSBXVJAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058210
O=C(C(Cc1ccccc1)(O)C)NCc1nnc2n1CCCCC2	EMOLS-id_318152565	328.409	UEYGOQSHDXJMFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058211
O(CCC(=O)NCCc1n2CCCCCc2nn1)c1ccccc1	PC-id_52371658	328.409	ZQBBAHQWPMDSMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058212
O=C([C@@H]1CCc2nncn2CC1)N1CCCCC[C@H]1c1ccco1	ZINC22_879026572	328.409	UZYLQNPJXPAZGO-CABCVRRESA-N	00000000101000000101100000000010000000000000000000000000	31-01-058213
O=C([C@H]1CCc2nncn2CC1)N1CCCCC[C@H]1c1ccco1	ZINC22_879026573	328.409	UZYLQNPJXPAZGO-GJZGRUSLSA-N	00000000101000000101100000000010000000000000000000000000	31-01-058214
O=C([C@@H]1CCc2nncn2CC1)N1CCCCC[C@@H]1c1ccco1	ZINC22_879026574	328.409	UZYLQNPJXPAZGO-HUUCEWRRSA-N	00000000101000000101100000000010000000000000000000000000	31-01-058215
O=C([C@H]1CCc2nncn2CC1)N1CCCCC[C@@H]1c1ccco1	ZINC22_879026575	328.409	UZYLQNPJXPAZGO-LSDHHAIUSA-N	00000000101000000101100000000010000000000000000000000000	31-01-058216
OCC(NC(=O)C1CCn2c(CC1)nnc2)Cc1cccc(c1)C	EMOLS-id_319821497,MCULE-5932450526	328.409	WWQVVGZYKYFUGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058217
O(CC(=O)NCCc1n2CCCCCc2nn1)c1ccc(cc1)C	PC-id_51307471	328.409	OHWXCNXMBLXQSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058218
O(CC(=O)NCCc1n2CCCCCc2nn1)c1cc(ccc1)C	PC-id_52181429	328.409	JVDVLIFHJRMQDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058219
O=C(N1Cc2ccnn2CCC1CN1CCCC1=O)C1=CCCC1	EMOLS-id_313818410	328.409	HTSMJESSLASQJL-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-058220
O=C(N1CCCC1c1c(C)n[nH]c1C)c1noc2c1CCCCC2	EMOLS-id_101036584	328.409	ORVQSKZHDJNSCD-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-058221
O=C(N1CCCc2c(C1)cnn2C)c1ccc(o1)CN1CCCC1	EMOLS-id_319227066	328.409	QDFSYBPYJDQOSW-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058222
O=C(N1CCCCCC1c1ccco1)C1CCn2c(CC1)nnc2	PC-id_146077579,MCULE-5077868170,EMOLS-id_320029382	328.409	UZYLQNPJXPAZGO-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-058223
O=C(N1CCCn2c(C1)c(nc2)CN1CCCC1=O)C1CC=CC1	PC-id_97405473	328.409	PBOXLZZXODIRFE-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-058224
O=C(N1CCOCC1c1cccn1C)c1n[nH]c2c1CCCCC2	MCULE-3698136315,EMOLS-id_316034039	328.409	SVKGYJUFHGFIEG-UHFFFAOYSA-N	00000000110010000101100000000010000000000000000000000000	31-01-058225
O=C(NCc1cnc2CCN(Cc3ccoc3)CCn12)C1CCC1	EMOLS-id_44329043,PC-id_97467203,ZINC22_96197059	328.409	VUJHDLWCDVUMJW-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-058226
O=C(NCc1n2CCCCCc2nn1)Cc1cc(OC)c(cc1)C	PC-id_51278063	328.409	HGVBCVBXDDWUOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058227
O=C(NCc1nnc2n1CCCCC2)COc1cc(C)ccc1C	EMOLS-id_318393656	328.409	HFPNHRZGHUTPAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058228
O=C(NCCc1cn2c(n1)CCCC2)N1CCCc2occc2C1	ZINC22_378115886,MCULE-6743702477,EMOLS-id_316845295	328.409	OCSXWTBACGMWHS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058229
O=C(NCCc1n2CCCCCc2nn1)c1cc(OCC)ccc1	PC-id_52375123	328.409	QGNLEMBIQOPVBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058230
O=C(NCCO)c1nn2CCCN(Cc2c1)CCc1ccccc1	PC-id_50948424	328.409	QBOVRGFYAJBLRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058231
Cc1nnn2c1COC[C@@H](CNS(=O)(=O)c1cccs1)C2	PC-id_97469402,ZINC22_96199329	328.41	VAOAKVJJHULDLU-JTQLQIEISA-N	00000000100100000101000000000010000000000000000000000000	31-01-058232
Cc1nnn2c1COC[C@H](CNS(=O)(=O)c1cccs1)C2	ZINC22_96199330,PC-id_97469403	328.41	VAOAKVJJHULDLU-SNVBAGLBSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058233
Cc1nnn2CC(CNS(=O)(=O)c3cccs3)COCc12	EMOLS-id_44332565	328.41	VAOAKVJJHULDLU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058234
COCC1CN(Cc2ncnn2C1)S(=O)(=O)c1cccs1	EMOLS-id_44327149,PC-id_118740825	328.41	HAGCSBMCSRYOFS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058235
COC[C@H]1CN(S(=O)(=O)c2cccs2)Cc2ncnn2C1	PC-id_97463601,ZINC22_96189194	328.41	HAGCSBMCSRYOFS-JTQLQIEISA-N	00000000100100000101000000000010000000000000000000000000	31-01-058236
COC[C@@H]1CN(S(=O)(=O)c2cccs2)Cc2ncnn2C1	ZINC22_96189195,PC-id_97463602	328.41	HAGCSBMCSRYOFS-SNVBAGLBSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058237
c12C(CCCc1n(nc2C)C)NC(=O)c1cn2c(CCNCC2)n1	MCULE-8126048032,EMOLS-id_330459408	328.412	CQTIZIRLIZNQPK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058238
c12CN(C)CCc1[nH]nc2C(=O)NCc1c2CCCCCc2[nH]n1	ZINC22_823806759,MCULE-7221963707,EMOLS-id_232852675	328.412	KNKHKLJQQLSNPW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058239
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1[nH]ccn1	EMOLS-id_44423319,MCULE-2682144023,ZINC22_82083182,PC-id_70704411	328.412	GMLQYJINGZWATG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-058240
c1(cc2n(CCCN(C)C2)n1)C(=O)N1CCCC1Cn1cccn1	EMOLS-id_36448973,PC-id_56714385,MCULE-4341685004	328.412	JPWPPPSHVWKLSP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058241
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCNCCn12	PC-id_118759782,MCULE-3503641147,EMOLS-id_68909729	328.412	CRUVIMNFQZLEBD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058242
c1(C(C(C)C)NC(=O)Cc2cccnc2)nnc2CCNCCn12	MCULE-1194836765,EMOLS-id_36445245,PC-id_56712570	328.412	ZPUBTRYNZLKTOK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058243
c1cc(CN2CCCn3c(CN4CCOCC4)nnc3C2)ccn1	ZINC22_96259697,PC-id_97519779,EMOLS-id_44370940	328.412	SVRJUTKGZHRPQF-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-058244
C1CC(CN(C1)Cc1nn2CCCNCc2c1)c1cc(=O)[nH]cn1	MCULE-4525284313,EMOLS-id_43088461,PC-id_136112826	328.412	NRKCNGJOWLTQSL-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-058245
C1C[C@@H](CN(C1)Cc1nn2CCCNCc2c1)c1cc(=O)[nH]cn1	PC-id_136733970	328.412	NRKCNGJOWLTQSL-ZDUSSCGKSA-N	00000000100010100101100000000010000000000000000000000000	31-01-058246
C1C[C@H](CN(C1)Cc1nn2CCCNCc2c1)c1cc(=O)[nH]cn1	PC-id_136733971	328.412	NRKCNGJOWLTQSL-CYBMUJFWSA-N	00000000100010100101100000000010000000000000000000000000	31-01-058247
c1(cn2c(CCNCC2)n1)C(=O)N1CCC(C1)n1c(C)cc(C)n1	MCULE-8516437645,EMOLS-id_330447879	328.412	ODGFRPPISWCVCP-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-058248
c1(cn2c(CCNCC2)n1)C(=O)N1CCC(CC1)Cn1cccn1	MCULE-8891535478,EMOLS-id_330413781,ZINC22_1857710303	328.412	PUBZYCGOAKAPTI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058249
c1cncc(CN2CCCn3nnc(CN4CCOCC4)c3C2)c1	PC-id_97519699,ZINC22_96259617,EMOLS-id_44370782	328.412	ACPUABWWXXBRAM-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-058250
c1(CN(C)C(=O)C2CCc3n(ncn3)C2)c2CCCCCc2[nH]n1	EMOLS-id_324313985,PC-id_154821397,MCULE-4376749500	328.412	PQQNZARVXLTXJR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058251
c1cnc(OC2CCN(Cc3nnc4n3CCCCC4)CC2)cn1	MCULE-5623287478,EMOLS-id_100568599,ZINC22_330201591	328.412	YAIDKYXLLUDJPK-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-058252
c1(C(=O)N2CC(C2)n2c(C)cc(C)n2)cc2n(CCCN(C)C2)n1	MCULE-1952552237,PC-id_56701955,ZINC22_67472872,EMOLS-id_36422998	328.412	HNJPWFCAODBSBN-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-058253
c1(C(=O)N2CC(C2)n2cccn2)cc2n(CCCN(C(C)C)C2)n1	MCULE-9176118862,EMOLS-id_36421950,ZINC22_67447067,PC-id_56701463	328.412	IHCQARJBKGMWAF-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-058254
c1(C(=O)N2CCCn3nc(C)cc3C2)cc2n(CCCN(C)C2)n1	ZINC22_67804658,PC-id_56715875,EMOLS-id_36452033,MCULE-9496184490	328.412	IBWOMDGGHOVAGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058255
c1(C(=O)NC2CCCc3c2c(C)nn3C)nnc2CCCCCn12	MCULE-7047741306,PC-id_145933534,EMOLS-id_323953490	328.412	FHMNSNNBGSJCBG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058256
c1(C(=O)NCc2c3CCCCCc3[nH]n2)nnc2CCCCCn12	MCULE-5440903451,EMOLS-id_232849665,ZINC22_828219167	328.412	NIXQMYNLFQHTKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058257
C1(NCCc2[nH]cnc12)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_43093503,PC-id_70726188,MCULE-9912979496	328.412	GLNMFXVKCXGPRP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058258
c1nc(NC[C@@H]2CCCO2)ncc1CN1CCCn2cncc2C1	ZINC22_72159251	328.412	KPFLZVBILVUPHU-INIZCTEOSA-N	00000010100000100101000000000010000000000000000000000000	31-01-058259
c1nc(NC[C@H]2CCCO2)ncc1CN1CCCn2cncc2C1	ZINC22_72159252	328.412	KPFLZVBILVUPHU-MRXNPFEDSA-N	00000010100000100101000000000010000000000000000000000000	31-01-058260
CC1CC(C1)C(=O)N1CCCn2cnc(Cn3nncc3C)c2C1	ZINC22_1565549262,EMOLS-id_313732061	328.412	OSVZVEUNHPYWJV-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-058261
CC1(C)Cc2n[nH]cc2CN(C(=O)Nc2ccnn2C2CCC2)C1	MCULE-3511258215,EMOLS-id_316965544,ZINC22_934724994,PC-id_136564554	328.412	GGXNATTUZMHUDL-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-058262
Cc1ccc(cc1)C(N(C(=O)NC1CCn2c(CC1)nnn2)C)C	EMOLS-id_102183297	328.412	JZBHNNJZKCBLNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058263
Cc1ccc(c(n1)C)NC(=O)N(Cc1nnc2n1CCCCC2)C	MCULE-3456619252,EMOLS-id_320061357	328.412	CCDVIWHNPBYDBV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058264
Cc1cc(C)n([C@H]2CCN(C(=O)c3cn4c(n3)CCNCC4)C2)n1	ZINC22_1857718106	328.412	ODGFRPPISWCVCP-AWEZNQCLSA-N	00000010100000000101100000000010000000000000000000000000	31-01-058265
Cc1cc(C)n([C@@H]2CCN(C(=O)c3cn4c(n3)CCNCC4)C2)n1	ZINC22_1857718107	328.412	ODGFRPPISWCVCP-CQSZACIVSA-N	00000010100000000101100000000010000000000000000000000000	31-01-058266
Cc1cc(C)nc(NC(=O)NCCc2nnc3n2CCCCC3)c1	EMOLS-id_49320205,PC-id_75508047,ZINC22_97142970,MCULE-2195075074	328.412	PVNOJZHRXYLMFX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058267
Cc1ccc(NC(=O)NCCc2nnc3n2CCCCC3)c(C)n1	ZINC22_152405194,MCULE-9084241546,EMOLS-id_316887643,PC-id_136514014	328.412	MGFVOPRIPINJPU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058268
CC1CNc2n(C1)ncc2C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319249758	328.412	ZNVJAUJXIOHFBS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058269
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]nc(c1)C1CCCN1C	EMOLS-id_320111915,MCULE-3100325411	328.412	NTQCHYWKBBJKKO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-058270
Cc1cnccc1NC(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_48805083,MCULE-2869146010,PC-id_75470656,ZINC22_95981978	328.412	DDMRAKPHUIARFA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058271
Cc1nc(C)c(C(=O)NCCc2nnc3n2CCCCC3)nc1C	PC-id_139005006,EMOLS-id_320390191,ZINC22_184716938,MCULE-9701758288	328.412	QXPSXNNFWHLDQJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-058272
Cc1ncc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2)[nH]1	ZINC22_585097808	328.412	QPDCJCAJVCTSAB-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058273
Cc1ncc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2)[nH]1	ZINC22_585097809	328.412	QPDCJCAJVCTSAB-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058274
Cc1nc(c[nH]1)C(=O)N1Cc2ccnn2CCC1CN1CCCC1	EMOLS-id_313815340	328.412	QPDCJCAJVCTSAB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058275
Cc1ncnc(C(=O)N2CCc3ncc(CN(C)C)n3CC2)c1C	EMOLS-id_313779149,ZINC22_1565546979	328.412	CSPKSMBSXDHFEX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-058276
Cc1nn(C)c2c1[C@H](NC(=O)c1cn3c(n1)CCNCC3)CCC2	ZINC22_1857721174	328.412	CQTIZIRLIZNQPK-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058277
Cc1nn(C)c2c1[C@@H](NC(=O)c1cn3c(n1)CCNCC3)CCC2	ZINC22_1857721175	328.412	CQTIZIRLIZNQPK-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058278
Cc1nn(C)c2c1[C@H](NC(=O)c1nnc3n1CCCCC3)CCC2	ZINC22_1857688353	328.412	FHMNSNNBGSJCBG-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058279
Cc1nn(C)c2c1[C@@H](NC(=O)c1nnc3n1CCCCC3)CCC2	ZINC22_1857688354	328.412	FHMNSNNBGSJCBG-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058280
CC(c1cc2n(n1)CCCC2)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278419147	328.412	HWSVOWQNOLSGRK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058281
CC(c1cccnc1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318742083	328.412	YCUVFGJYRCYSIV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058282
CCc1ccncc1NC(=O)NCCc1nnc2n1CCCCC2	MCULE-7732863884,EMOLS-id_320304929	328.412	BKFLVGJCLABWGQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058283
CC(C(c1ccncc1)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319409276	328.412	YYCXNNYNVAZBRB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058284
CC(Cc1cnccn1)NC(=O)CCc1cc2CNCCCn2n1	PC-id_70763919,EMOLS-id_43151952,MCULE-8859694112	328.412	VXBRMNAWUATRJB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-058285
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O=C(CCc1cc2n(n1)CCCNC2)N[C@H]1CCc2[nH]ncc2C1	ZINC22_72476672,PC-id_95895411	328.412	QGAJVCSZYCDBPZ-ZDUSSCGKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058372
O=C(C=Cc1cnn(c1)C)NCCCc1nnc2n1CCCCC2	MCULE-3133746860,PC-id_72147386,EMOLS-id_42872143	328.412	SBQSDRUITLYDTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058373
O=C(/C=Cc1cnn(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_97357704	328.412	SBQSDRUITLYDTB-HJWRWDBZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058374
O[C@@H]1CCN(c2ccnc(NCc3n[nH]c4c3CCCCC4)n2)C1	ZINC22_1529098426	328.412	FUFQSTMEDNEAIT-GFCCVEGCSA-N	00000010100000100101100000000010000000000000000000000000	31-01-058375
O[C@H]1CCN(c2ccnc(NCc3n[nH]c4c3CCCCC4)n2)C1	ZINC22_1529098429	328.412	FUFQSTMEDNEAIT-LBPRGKRZSA-N	00000010100000100101100000000010000000000000000000000000	31-01-058376
O=C(N1CC2C(C1)C1CCC2C=C1)NC1CCn2c(CC1)nnn2	EMOLS-id_102161398	328.412	MFZWPSSSXQUSBA-UHFFFAOYSA-N	00000010100011000101000000000010000000000000000000000000	31-01-058377
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Cc1n[nH]c(n1)C1CC1	EMOLS-id_318857904	328.412	UFDXBCMVASKTOW-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-058378
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Nc1ccnc(c1)N(C)C	EMOLS-id_318115111	328.412	XEJMAPPLFXMSCY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058379
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Nc1cncc(c1)N(C)C	MCULE-3561104491,EMOLS-id_316467207	328.412	CFMVAWLAIAHSOS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058380
O=C(N1CCCc2c(C1)cnn2C)Nc1cnn(c1)C(C1CC1)C	EMOLS-id_101869206	328.412	VXNCKVCDGMDART-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058381
O=C(N1CCCc2c(C1)cnn2C)Nc1nccc(n1)C(C)(C)C	EMOLS-id_319150691	328.412	KDIYOGILSSKKPY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-058382
O=C(N1CCCn2c(C1)cc(n2)N)NCCN(c1ccccc1)C	MCULE-4440004164,EMOLS-id_319980715	328.412	LNOAELHYWSBGAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058383
O=C(NC1CCCC1)N1Cc2nccn2C[C@H](Cn2cccn2)C1	PC-id_97463035,ZINC22_96188601	328.412	NIOMFOXOOBHRGS-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058384
O=C(NC1CCCC1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	ZINC22_96188600,PC-id_97463034	328.412	NIOMFOXOOBHRGS-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058385
O=C(NC1CCCC1)N1CC(Cn2cccn2)Cn2ccnc2C1	EMOLS-id_44326441	328.412	NIOMFOXOOBHRGS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058386
O=C(Nc1ccc(cc1)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102025363	328.412	MGESBTKDQPQPEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058387
O=C(Nc1ccccc1C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102025648	328.412	AJTKWPZCURXUPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058388
O=C(Nc1c(C)cncc1C)NCCc1nnc2n1CCCCC2	EMOLS-id_318886299	328.412	VSSSWNRFLVTKNI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058389
O=C(NC1CCn2c(CC1)nnn2)NCc1c(C)cc(cc1C)C	EMOLS-id_102173027	328.412	VAIXKYDEBLGLIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058390
O=C(NC(c1ccccc1C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102161317	328.412	SRZWGOWROMIJLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058391
O=C(NC(c1cccc(c1)C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102163411	328.412	PXEMPRSMPZWTLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058392
O=C(NC(c1cccc(c1C)C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102178112	328.412	GPMFMXJYCQUSNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058393
O=C(NC(c1cc(C)cc(c1)C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102176651	328.412	OMSISBMGEUTJCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058394
O=C(N(C(c1ccccn1)C)C)NCc1nnc2n1CCCCC2	EMOLS-id_257877686,MCULE-2267085398	328.412	KQWCONJHFRJRGU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058395
O=C(NC(c1n2CCN(CCc2nn1)CCC)C)c1cccnc1	PC-id_45166275	328.412	QXTMRSPTNVYQTG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058396
O=C(NC(c1ncncc1)C)c1nn2CCCN(Cc2c1)C(C)C	PC-id_56722688	328.412	QXHQWRWTYDRZIP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-058397
O=C(NCCc1n2CCCCCc2nn1)c1c(N(C)C)nccc1	PC-id_60551174	328.412	GOSVXJPTTJFPDQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058398
O=C(N(C(C)(C)C)Cc1ccccn1)C1CCCCn2c1nnn2	EMOLS-id_43100965,MCULE-5165824487,PC-id_56867458	328.412	VRWDNRDLAAGKLM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058399
Cc1nc(c(s1)S(=O)(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102026761	328.414	TWMAEWFKAZYYCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058400
CCc1ncc(s1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028523	328.414	MJLMRPPIILVREZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058401
C1CCc2nnc(n2CC1)CNc1nc(nc(c1)C1CC(C1)N)N	PC-id_91792847,EMOLS-id_55697207,MCULE-4201412342	328.415	KIJGRIYRRMNAFH-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-058402
O=C(N1CCCCc2c1sc(n2)C)CC1CCC(CC1)(F)F	EMOLS-id_319248929	328.42	IDHNHWLCDNNPPT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058403
COC(=O)CCCCCOCC1(C)COc2c(OC1)csc2	SCHEMBL5807263,PC-id_69574462	328.424	NTAWWZDGWDCCOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058404
s1c2CCCCCc2cc1C(=O)OC(C(=O)c1ccccc1)C	PC-id_16577272	328.425	HGCURDUDLLYKAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058405
CCC(c1nnc2n1CCCCC2)NC1CCc2c1cccc2F	MCULE-1325721764,EMOLS-id_318195374	328.427	PYIHDBOEIWFZOP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058406
CCC(c1nnc2n1CCCCC2)NC1CCc2c1ccc(c2)F	MCULE-4733307778,EMOLS-id_318093452	328.427	XFDRTAAVSJBWAG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058407
CCC(c1nnc2n1CCCCC2)NC1CCc2c1cc(F)cc2	EMOLS-id_318268998,MCULE-2214411586	328.427	DGYIDOBNYMRHHF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058408
Fc1ccc(cc1)C1(CCCC1)NCc1nnc2n1CCCCC2	EMOLS-id_318197920,MCULE-4900901175	328.427	XMPGBBKWQPULTP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-058409
Fc1ccc(cc1)N1CCC(C1)NCc1n[nH]c2CCCCCc12	EMOLS-id_232868246,MCULE-7854079776	328.427	AVPGFUITLRURSW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-058410
Fc1cccc(CN2Cc3ccnn3C[C@@H](CN3CCCC3)C2)c1	ZINC22_247556920	328.427	XOHHNFSJNODSSH-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-058411
Fc1cccc(CN2Cc3ccnn3C[C@H](CN3CCCC3)C2)c1	ZINC22_247556930	328.427	XOHHNFSJNODSSH-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-058412
Fc1cccc(CN2Cc3nccn3C[C@H](CN3CCCC3)C2)c1	PC-id_97462825,ZINC22_96188386	328.427	SLWOUQYUEKYLBZ-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-058413
Fc1cccc(CN2Cc3nccn3C[C@@H](CN3CCCC3)C2)c1	ZINC22_96188387,PC-id_97462826	328.427	SLWOUQYUEKYLBZ-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-058414
Fc1cccc(CN2CC(CN3CCCC3)Cn3ccnc3C2)c1	EMOLS-id_44326227	328.427	SLWOUQYUEKYLBZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-058415
Fc1cccc(CN2CC(CN3CCCC3)Cn3nccc3C2)c1	EMOLS-id_50371489	328.427	XOHHNFSJNODSSH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-058416
Fc1ccc(N2CC[C@H](NCc3n[nH]c4c3CCCCC4)C2)cc1	ZINC22_826588648	328.427	AVPGFUITLRURSW-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-058417
Fc1ccc(N2CC[C@@H](NCc3n[nH]c4c3CCCCC4)C2)cc1	ZINC22_826588649	328.427	AVPGFUITLRURSW-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-058418
c1(c2CCCCCc2sc1NC(=O)C)C(=O)Nc1ccccc1	ZINC22_1196630,PC-id_1356077,MCULE-4055989206,CoCoCo_678361,EMOLS-id_1132402	328.429	XNNGNUAXDMGQCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058419
c1(cc2c(CCCCC2)s1)C(=O)Nc1cccc(c1)NC(=O)C	MCULE-2114181926,TIMTEC62687,ZINC22_6215046,PC-id_7914548,CoCoCo_542382,EMOLS-id_2497281	328.429	ATVKKVDUMSXPLG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058420
c1(NC(=O)c2ccccc2C)sc2c(CCCCC2)c1C(=O)N	MCULE-2534629614,CoCoCo_203790,PC-id_712897,CK1419197,BAS-01533230,ZINC22_106312,EMOLS-id_1341482,TIMTEC275852	328.429	KXGOGRVRFZNLLJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058421
c1(NC(=O)c2ccc(cc2)C)sc2c(CCCCC2)c1C(=O)N	PC-id_2167033,EMOLS-id_1776776,TIMTEC295769,CoCoCo_896011,SPECS-id_AK-968/41925708,ZINC22_2757000,MCULE-1670034975	328.429	LTPDQFKXUPFYCD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058422
c1(NC(=O)c2cccc(C)c2)sc2c(CCCCC2)c1C(=O)N	CoCoCo_6732833,EMOLS-id_1770974,PC-id_3379045,ZINC22_4156497,MCULE-4232340007	328.429	LODYRXMTNATBBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058423
c1(NC(=O)Cc2ccc3c(CCO3)c2)sc2c(CCCCC2)n1	EMOLS-id_323354738,MCULE-5733498025	328.429	UEWRMRFXVQDABM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058424
c1(NC(=O)Cc2ccccc2)sc2c(CCCCC2)c1C(=O)N	Chemmine_4097,EMOLS-id_1429798,SPECS-id_AP-970/12688875,CoCoCo_293125,BAS-03375266,PC-id_729288,ZINC22_140885,SPECS-id_AN-153/I176541,MCULE-9774338702	328.429	IXRLYHFHRGWECK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058425
CC1Cc2c(O1)c(ccc2)C(=O)N1CCCCc2c1sc(n2)C	MCULE-1936037834,EMOLS-id_320152726	328.429	AFPIWSYMHRJCOL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058426
Cc1nc2c(s1)N(CCCC2)C(=O)CC1Cc2c(O1)cccc2	MCULE-9714318062,EMOLS-id_320025100	328.429	WDLZNLHWBUYJBD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058427
CC1Oc2c(C1)cc(cc2)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319812143	328.429	KBQXHSOBJKPCDH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058428
Cc1sc2c(n1)CCCCN2C(=O)C1CCc2c1c(O)ccc2	EMOLS-id_319930863,MCULE-6994193950	328.429	KNFKKJADJHLRBU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058429
CCc1ccccc1NC(=O)CN1C(=O)CCCc2sccc12	EMOLS-id_36702792,ZINC22_69819461,PC-id_53609582,MCULE-4352505499	328.429	CSPMUYYTWSGIFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058430
C=CCOc1ccc(cc1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318823734	328.429	OMLWSHUSEZKMOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058431
C/C(=NNC(=O)c1cc2c(s1)CCCCC2)/c1ccc(cc1)O	PC-id_135731446	328.429	NYWIZJWVSMFCRZ-XDHOZWIPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058432
CCOC(=O)c1ccc(cc1)/C=C/c1nc2c(s1)NCCCC2	SCHEMBL8317729,PC-id_15069507	328.429	CJXILUAPNODSOZ-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058433
CC(=O)Nc1ccccc1CC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318357796	328.429	FHFUJJNFYWZBSX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058434
CC(=O)Nc1ccc(c(c1)C(=O)N1CCCc2c(C1)ccs2)C	EMOLS-id_318346528	328.429	XUPQWCMKLCAUHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058435
CC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1	ZINC22_5938643,CoCoCo_3230874,PC-id_4785290,MCULE-4575486675,EMOLS-id_3382925	328.429	SKXCPWGGHRFPHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058436
COc1ccc(cc1)/C=CC(=O)Nc1nc2c(s1)CCCCC2	CoCoCo_4546034	328.429	YCJSSIOIGYFWOZ-XFXZXTDPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058437
COc1ccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)cc1	PC-id_45864699,CoCoCo_4546033,EMOLS-id_48920682,ZINC22_14554145	328.429	YCJSSIOIGYFWOZ-FMIVXFBMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058438
COc1ccc(C=CC(=O)Nc2sc3c(CCCCC3)n2)cc1	MCULE-9731937963,EMOLS-id_44037994,PC-id_72029901	328.429	YCJSSIOIGYFWOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058439
NC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCCCCC2	ZINC22_48325060,EMOLS-id_30710087,MCULE-7223279366,PC-id_47008398	328.429	BVMRIYCXMAJJEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058440
NC(=O)c1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1	EMOLS-id_24131974,CoCoCo_3335948,ZINC22_7769729,PC-id_8884535,MCULE-1793898186	328.429	QOVDBUKDEAHRCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058441
NC(=O)C(c1ccccc1)NC(=O)c1cc2c(s1)CCCCC2	MCULE-7612254562,EMOLS-id_30241794,PC-id_45864124	328.429	ZCDIHNBQYPIEOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058442
NC(=O)[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	ZINC22_12051591,PC-id_51492442	328.429	ZCDIHNBQYPIEOF-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058443
NC(=O)[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	ZINC22_12051594,PC-id_51492443	328.429	ZCDIHNBQYPIEOF-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058444
Oc1cccc(c1)[C@@H]1C[C@H]1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319292511	328.429	OZSPJYXMJOFSOO-LSDHHAIUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-058445
O=C(CCC(=O)c1ccccc1)Nc1nc2c(s1)CCCCC2	CoCoCo_4546131,ZINC22_22374709,MCULE-2615866727,PC-id_30254371,EMOLS-id_25653786	328.429	UMGXSRLYZMFPGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058446
O=C(N1CCCCc2c1sc(n2)C)Cc1ccc2c(c1)CCO2	EMOLS-id_320074710,MCULE-6834484019	328.429	FUFKGEFQQJBJQU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058447
s1c2CCCCCc2cc1C(=O)Nc1cc(ccc1)C(=O)NC	PC-id_24401509	328.429	UOMRWEXJUZLLNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058448
s1c2CCCCCc2cc1C(=O)Nc1c(cccc1)C(=O)NC	PC-id_28095968	328.429	VXJJTLSUQMRTLG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058449
s1c2CCCCCc2cc1C(=O)Nc1ccc(cc1)C(=O)NC	PC-id_9158278	328.429	DGLPIRSONHVLRP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058450
s1c2CCCCCc2cc1C(=O)NCc1ccc(cc1)C(=O)N	PC-id_51152322	328.429	GNGCMGXQTNIQJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058451
s1c2CCCCCc2cc1C(=O)NN/C(=C
/C=CC(=O)C=C1)/C	PC-id_8159591	328.429	SUXDKLZAGDAQEP-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-058452
s1c2CCCCCc2cc1C(=O)NN=Cc1ccc(OC)cc1	PC-id_78620831	328.429	VRNLWOOBPCUIJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058453
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(OC)ccc1	PC-id_78620841	328.429	KYFZCYUNCQQWJX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058454
s1c2CCCCCc2cc1C(=O)NN=Cc1c(OC)cccc1	PC-id_78620855	328.429	DBMUTFLGVDYVMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058455
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(ccc1)C	PC-id_31541675	328.429	SNUZVNCQEURUJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058456
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(cccc1)C	PC-id_46612568	328.429	BFMHDCRKQQCTGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058457
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(cc1)C	PC-id_9301179	328.429	YSHREUUUXFAUFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058458
s1c2c(CCCCC2)c(c1NC(=O)c1ccccc1)C(=O)NC	PC-id_7475046	328.429	DQDXPZUVMDIEJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058459
s1c2CCCCCc2nc1NC(=O)c1ccc(OCC=C)cc1	PC-id_37753059	328.429	CCJWZEOBUBEPJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058460
s1c2CCCCCCc2cc1C(=O)Nc1cc(ccc1)C(=O)N	PC-id_45756169	328.429	YAGLWZRMUGOCMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058461
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccccc1	PC-id_26422783	328.429	PAKYYRMECDBNPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058462
s1c2c(CCCCCC2)c(c1NC(=O)c1ccccc1)C(=O)N	PC-id_4227243	328.429	RGYNSJBZQVIMNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058463
s1c2CCCC(C(=NNc3ccc(cc3)C)c2cc1)CC(=O)O	PC-id_10758682	328.429	LYLIFCBRWSDJLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058464
s1c2NCCCCc2nc1C=Cc1ccc(cc1)C(=O)OCC	PC-id_53725057	328.429	CJXILUAPNODSOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058465
c12CN(CCCn1nc(CNS(=O)(=O)CCCC)c2)C(=O)C	MCULE-1645841395,ZINC22_82126019,EMOLS-id_44441487,PC-id_70755958	328.43	TVJASDBGCXILQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058466
c1(CN(C)C(=O)CCNS(=O)(=O)C)c2CCCCCc2[nH]n1	EMOLS-id_55604626,PC-id_91828793,ZINC22_244605531,MCULE-7837084454	328.43	FAFVKDZWPDPFKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058467
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(C(C)C)NS(=O)(=O)C	MCULE-4113109195,EMOLS-id_320326521	328.43	XMBQQPNBOSYKSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058468
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CS(=O)(=O)NC(C)(C)C	EMOLS-id_319377899	328.43	NINYLXMLKZXIJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058469
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)C1CCOC1	EMOLS-id_99357217	328.43	YIGQWWRGBBIAIQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058470
CC(C)CC(=O)N1CCCn2cnc(CNS(=O)(=O)C)c2C1	EMOLS-id_46182375,ZINC22_96084676,PC-id_97405499	328.43	IVQXHMFNDBAQIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058471
CCCCS(=O)(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_50585747,MCULE-5421466412,PC-id_91922481	328.43	RPRXDWJAOALWEC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058472
CCCS(=O)(=O)N1CCc2n(CC1)c(nc2C(=O)N(C)C)C	MCULE-7009593040,EMOLS-id_239582854	328.43	UFCVFIZHBBZUFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058473
Cn1ncc2c1CCCN(C2)S(=O)(=O)N1CCOC(C1)(C)C	EMOLS-id_101950761	328.43	NFHJMBUAJSYRMA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058474
CN(C)Cc1cnc2CCN(CCn12)C(=O)CCS(=O)(=O)C	ZINC22_2055772638,EMOLS-id_313780172	328.43	IMYHLALKVIQDSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058475
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(S(=O)(=O)C1CC1)C2	PC-id_100174533,ZINC22_222984556	328.43	UNYUGUIAAQPWNY-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058476
CN(C)C[C@H](O)c1cc2n(n1)CCCN(S(=O)(=O)C1CC1)C2	PC-id_100174542,ZINC22_222984620	328.43	UNYUGUIAAQPWNY-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058477
CN(C)CC(O)c1cc2CN(CCCn2n1)S(=O)(=O)C1CC1	EMOLS-id_55684649,MCULE-8304508414,PC-id_91788600	328.43	UNYUGUIAAQPWNY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058478
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_2055708224	328.43	VQESUJPOBMYDSX-CYBMUJFWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058479
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	ZINC22_2055708227	328.43	VQESUJPOBMYDSX-ZDUSSCGKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058480
CN(C)S(=O)(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1	PC-id_97475642,ZINC22_96207515	328.43	MPKAXNVVJOXVCM-ZDUSSCGKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058481
CN(C)S(=O)(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1	PC-id_97475643,ZINC22_96207516	328.43	MPKAXNVVJOXVCM-CYBMUJFWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058482
CN(C)S(=O)(=O)N1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49230269	328.43	MPKAXNVVJOXVCM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058483
CN(C)S(=O)(=O)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_313723355	328.43	VQESUJPOBMYDSX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058484
COC1CCN(CC1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319597938	328.43	BVOIBDCFQJLULL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058485
CS(=O)(=O)N1CCCn2nc(CNC3CCOCC3)cc2C1	PC-id_70763458,EMOLS-id_44444055,ZINC22_82135216,MCULE-2823764596	328.43	UFAYFUPYXXHEPY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058486
CS(=O)(=O)NCc1cnc2CCN(CC3CCOC3)CCn12	EMOLS-id_44328991	328.43	NVEURNZTUDPEQK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058487
CS(=O)(=O)NCc1cnc2n1CCN(C[C@@H]1CCOC1)CC2	PC-id_97467173,ZINC22_96197029	328.43	NVEURNZTUDPEQK-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058488
CS(=O)(=O)NCc1cnc2n1CCN(C[C@H]1CCOC1)CC2	PC-id_97467174,ZINC22_96197030	328.43	NVEURNZTUDPEQK-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058489
O=S(=O)(CC1CCOCC1)NCc1nnc2n1CCCCC2	EMOLS-id_99722953	328.43	QLLUMEOOTLVWOI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058490
O=S(=O)(CC[C@@H]1CCOC1)NCc1nnc2n1CCCCC2	ZINC22_328714896	328.43	DFKXDKSVQOOFBO-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058491
O=S(=O)(NCc1nnc2n1CCCCC2)CCC1CCOC1	EMOLS-id_97991876	328.43	DFKXDKSVQOOFBO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058492
c12c(C)c(sc1ncn(Cc1c3CCCCCc3[nH]n1)c2=O)C	ZINC22_584888587,EMOLS-id_177391050,MCULE-1895755858	328.432	LTINTFLKSYDDPV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058493
Cc1ncc(c(n1)C1CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98831161	328.432	FFALPUMNQOSFLI-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-058494
Cc1nccn1CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_30696780,EMOLS-id_29595263,CoCoCo_4667316,MCULE-1057126476,PC-id_45869054	328.432	MRGQFBCBUUYRNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058495
Cn1cc(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1	MCULE-7930337919,EMOLS-id_44498578,ZINC22_77551850,PC-id_71939552	328.432	CRGQAFUVKOEBCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058496
n12CCCNCc1cc(CNC(=O)C1Cc3c(cccc3)S1)n2	MCULE-1099075641,EMOLS-id_49648238,PC-id_74234650	328.432	IRJWRJTXGCLYMC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058497
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc(cc1)C(=O)N	PC-id_19985861,SCHEMBL7293218	328.432	ZTAZFEGNSKAROP-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058498
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1C(=O)N	PC-id_19985916,SCHEMBL7286201	328.432	SSLIILIMRYOJIE-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058499
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1)C(=O)N	SCHEMBL7291489,PC-id_19985959	328.432	YXXROEXAMDHXTO-DUXPYHPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058500
Nc1nccc(n1)C1CN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_318887417	328.432	ZXMURJADKIVUHC-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-058501
N#Cc1c(sc2c1CCCCCC2)NC(=O)c1cc(nn1C)C	EMOLS-id_110431492	328.432	PNTCUPHHCJLEQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058502
N#C[C@@H](c1nnc2n1CCCCC2)C(=O)c1sc(c(c1)CC)C	PC-id_94870559	328.432	BGKDRVUEDNCSDT-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058503
N#C[C@H](c1nnc2n1CCCCC2)C(=O)c1sc(c(c1)CC)C	PC-id_96452620	328.432	BGKDRVUEDNCSDT-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058504
O=C(c1ccnc(n1)C1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98993126	328.432	DKVPMKVOYWEADM-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-058505
O=C(c1cncnc1C1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101482640	328.432	XQZGONPVFVWNBH-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-058506
O=C(CSc1nnc2n1CCCCC2)N1CCc2ccccc12	MCULE-4011629862,PC-id_7877415,EMOLS-id_3659025,ZINC22_6098178,CoCoCo_3082125	328.432	VKYLOGUEITXUPU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058507
O=C(N1CCCc2c(C1)cnn2C)NC1CSc2c1cccc2	EMOLS-id_101721273	328.432	OYSZXKUCQJDBHW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058508
O=C(NCc1cc2n(n1)CCCNC2)[C@@H]1Cc2ccccc2S1	PC-id_97887860,ZINC22_97425696	328.432	IRJWRJTXGCLYMC-INIZCTEOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058509
O=C(NCc1cc2n(n1)CCCNC2)[C@H]1Cc2ccccc2S1	ZINC22_97425693,PC-id_97887859	328.432	IRJWRJTXGCLYMC-MRXNPFEDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058510
s1c2CCCCCc2c(c1NC(=O)c1n(nc(c1)C)CC)C#N	PC-id_49695833	328.432	KBICTTUXKNEDBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058511
s1c2CCCCCc2c(c1NC(=O)c1nn(c(c1)C)CC)C#N	PC-id_49697412	328.432	SMRTUUNVWQAWJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058512
s1c2CCN(CCc2nc1N)CC=Cc1c(cccc1)C(=O)N	PC-id_54322239	328.432	SSLIILIMRYOJIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058513
s1c2CCN(CCc2nc1N)CC=Cc1cc(ccc1)C(=O)N	PC-id_54533133	328.432	YXXROEXAMDHXTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058514
s1c2CCN(CCc2nc1N)CC=Cc1ccc(cc1)C(=O)N	PC-id_54564813	328.432	ZTAZFEGNSKAROP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058515
s1c(C(=O)C(c2n3CCCCCc3nn2)C#N)cc(c1C)CC	PC-id_71944392	328.432	BGKDRVUEDNCSDT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058516
CN(C)S(=O)(=O)N1CCc2nnc(CN3CCCC3)n2CC1	ZINC22_2055713807,EMOLS-id_313728475	328.434	NSFBADYDIRPSCT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058517
CNS(=O)(=O)N1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_110646770	328.434	IXEGULMTEBHTEY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058518
CN(S(=O)(=O)NC1CCn2c(CC1)nnn2)C1CCCCC1	EMOLS-id_102026623	328.434	KZWZIBNRMSBQQY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058519
c12CN(CCCn1nc(C#N)c2)Cc1cnc(nc1)SCCC	PC-id_46988613,EMOLS-id_31610430,ZINC22_55182760,MCULE-1697048499	328.435	XYIBYLAGSUFATG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-058520
Cc1ccc(CN2Cc3nccn3C[C@H](Cn3cncn3)C2)s1	PC-id_97463050,ZINC22_96188616	328.435	WNTBDIVBSBMGGO-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058521
Cc1ccc(CN2Cc3nccn3C[C@@H](Cn3cncn3)C2)s1	ZINC22_96188617,PC-id_97463051	328.435	WNTBDIVBSBMGGO-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058522
Cc1ccc(CN2CCc3ncc(Cn4cncn4)n3CC2)s1	ZINC22_96196986,PC-id_97467130,EMOLS-id_44328903	328.435	JYFSLEHITXNJRR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058523
Cc1ccc(CN2CC(Cn3cncn3)Cn3ccnc3C2)s1	EMOLS-id_44326457,PC-id_118743721	328.435	WNTBDIVBSBMGGO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058524
Cc1cc(C)n2cc(CSc3nnc4n3CCCCC4)nc2n1	MCULE-4955817829,CoCoCo_3854846,ZINC22_8136149,EMOLS-id_3683189,PC-id_16330077	328.435	SPGKUZJOAJZGNO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058525
Cc1cnnn1Cc1ncn2c1CN(Cc1cccs1)CCC2	ZINC22_96259472,PC-id_97519555	328.435	RSIRFRPGEIHUOF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058526
Cc1nc(CN2CCc3ncc(Cn4cccn4)n3CC2)cs1	ZINC22_96196939,PC-id_97467083,EMOLS-id_44328807	328.435	PWLPJNCTRBAWAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058527
Cc1sc2nc(Cc3nnc4n3CCCCC4)nc(N)c2c1C	MCULE-8789461882,ZINC22_48312009,PC-id_47061314,EMOLS-id_32047968	328.435	UQCQIUONUZERBD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058528
CCc1cc2c(NCc3nnc4n3CCCCC4)ncnc2s1	EMOLS-id_35696620,MCULE-1002793408,ZINC22_65608282,PC-id_53519066	328.435	FPWAIZASWFWTQD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058529
CN(Cc1cc2CNCCCn2n1)Cc1ccc2nsnc2c1	MCULE-4257156558,ZINC22_72146066,PC-id_56901979,EMOLS-id_43135834	328.435	CTWUNRTWDDVINO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058530
FCCOc1nc2c(s1)CCN(CC2)CC[C@H]1CCCCO1	PC-id_145452144	328.445	XNQXCUGZMRVNAD-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058531
OCCCCCCCOC(=O)c1ccc2-c1cc(ccc2)C(C)C	PC-id_101270416	328.445	HSIAHODBKSOIFN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058532
O(C(=O)c1c2-c(c(CCCCCCO)c1)cccc(c2)C(C)C)C	PC-id_10019408	328.445	QKVGGHQGLVQKJH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058533
O(C(=O)c1c2-c(c(CCCCCCO)c1)ccc(C(C)C)cc2)C	PC-id_10019407	328.445	YNCIJFYBJZCNHG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058534
Cc1cc(/C=C/c2ccc(C=O)cc2)c2-c1cc(ccc2C)C(C)C	PC-id_23257844,SCHEMBL2606666,CHEMBL325128	328.447	WOJBCHSUQZLEES-ZRDIBKRKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-058535
CC(c1ccc(c2-c(c1)c(C)cc2/C=C/C(=O)c1ccccc1)C)C	PC-id_101540511	328.447	LPVKQZLQEIADBQ-OUKQBFOZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-058536
O=Cc1ccc(cc1)/C=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_101874219	328.447	WOJBCHSUQZLEES-BENRWUELSA-N	00000010100000110110000000000010000000000000000000000000	31-01-058537
O=Cc1ccc(C=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1	PC-id_74036493	328.447	WOJBCHSUQZLEES-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-058538
COCCC1CN(CCOCc2ccccc2)Cc2cccn2C1	EMOLS-id_313837096	328.449	NEHAJNZZFINCEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058539
COCC[C@H]1CN(CCOCc2ccccc2)Cc2cccn2C1	ZINC22_585095279	328.449	NEHAJNZZFINCEP-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-058540
COCC[C@@H]1CN(CCOCc2ccccc2)Cc2cccn2C1	ZINC22_585095280	328.449	NEHAJNZZFINCEP-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058541
[O-]N(C(C)(C)C)Cc1cc(c2-c1ccccc2)CN(C(C)(C)C)[O-]	PC-id_101949590	328.449	RQNJFBGNOXQRTL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058542
C[C@@]1(CC(=O)N2CCCCc3sccc23)CCS(=O)(=O)N1	ZINC22_935789907	328.45	UKAYFTNEDWCISR-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058543
C[C@]1(CC(=O)N2CCCCc3sccc23)CCS(=O)(=O)N1	ZINC22_935789908	328.45	UKAYFTNEDWCISR-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058544
CC1(CCS(=O)(=O)N1)CC(=O)N1CCCCc2c1ccs2	PC-id_136565102,EMOLS-id_316994212,MCULE-4123870432	328.45	UKAYFTNEDWCISR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058545
CC(c1ccc2-c1ccccc2)NCCCc1c[nH]c2c1cccc2	PC-id_68814326,SCHEMBL3853461	328.45	ZBVSGCJKJZDDAJ-UHFFFAOYSA-N	00000010100000100110000001100010000000000000000000000000	31-01-058546
CNC1C(=O)N(CCc2c1scc2)CC1CCCS1(=O)=O	PC-id_23554712,SCHEMBL14171099	328.45	JJRAPSDPLNLRKB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-058547
CNC1C(=O)N(CCc2c1scc2)CC1CCS(=O)(=O)C1	SCHEMBL14171096,PC-id_23554716	328.45	YJQOIKDYJMSJAG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-058548
COC(CS(=O)(=O)Nc1sc2c(c1C#N)CCCCC2)C	MCULE-1988006499	328.45	LEVLRKICTAFFJP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-058549
O=C(C1(CC1)S(=O)(=O)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111348449	328.45	LRPJQJFRGMRLDJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058550
O=C(C1(CCC1)S(=O)(=O)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110768246	328.45	KPMVWJJZCXWPIU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-058551
O=C(C1CCCCS1(=O)=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318889115	328.45	IWMMLNHFDLCTEB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058552
O=C(C1CCCCS1(=O)=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111056178	328.45	HTECOVHMRNKBHC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058553
O=C(C1CCS(=O)(=O)C1)Nc1sc2c(n1)CCCCCC2	MCULE-2236858148,EMOLS-id_32082260,PC-id_47070906	328.45	PZTXXGZWSANTTQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058554
O=C(CC1CCS(=O)(=O)C1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110529200	328.45	SRPFYBOFEZIETQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058555
O=C(CS(=O)(=O)C1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101237047	328.45	VVDSWUJFIVNTKL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058556
O=C(N1CCC(C1)S(=O)(=O)N)c1cc2c(s1)CCCCC2	EMOLS-id_110385645	328.45	AMWHPGPIWDIHRZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-058557
O=C(N1CCCc2c(C1)ccs2)CC1CNCCS1(=O)=O	EMOLS-id_319640574	328.45	XWKBSPNNOYZOLZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058558
O=C(N1CCCCc2c1sc(n2)C)C1CCCS(=O)(=O)C1	EMOLS-id_319859411,MCULE-9697569771	328.45	IPGIPYCOTHBZMK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058559
O=C(N1CCCCc2c1sc(n2)C)C1CCS(=O)(=O)CC1	EMOLS-id_318885248	328.45	JRILBCHJAHISOW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058560
O=C(N1CCCCc2c1sc(n2)C)CC1CCCS1(=O)=O	EMOLS-id_319722732	328.45	ULDZQTOTIHVBEN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058561
O=C(N1CCCCc2c1sc(n2)C)CC1CCS(=O)(=O)C1	EMOLS-id_318984962	328.45	RWZLJSMNLBZCBQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058562
O=C(Nc1nc2c(s1)CCCCCC2)[C@H]1CCS(=O)(=O)C1	PC-id_94611630,ZINC22_55376003	328.45	PZTXXGZWSANTTQ-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-058563
O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_55376001,PC-id_94611629	328.45	PZTXXGZWSANTTQ-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058564
s1c2c(n(CCCC[C@H](NC(=O)C)C(=O)OCC2)c1=S)C	PC-id_11724056	328.45	WLDVCQPEBRWNGX-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-058565
s1c2c(n(CCCCC(NC(=O)C)C(=O)OCC2)c1=S)C	PC-id_73074171	328.45	WLDVCQPEBRWNGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058566
c1(NC(=O)C=Cc2cccs2)sc2c(CCCCC2)c1C#N	MCULE-9038701961,PC-id_1742435	328.452	JBVJVNXBRXNNFC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-058567
CC1CC1c1ccc(o1)CNCCCc1nnc2n1CCCCC2	EMOLS-id_51656272,MCULE-2539244554,PC-id_119110712	328.452	NHZIVFYDIGSDSB-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-058568
Cc1cccnc1CN1Cc2ccnn2CC[C@@H]1COCC(C)C	ZINC22_585098446	328.452	YSTTWMYQQCVHOD-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058569
Cc1cccnc1CN1Cc2ccnn2CC[C@H]1COCC(C)C	ZINC22_585098447	328.452	YSTTWMYQQCVHOD-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058570
CC1(C)CC(NCCc2nnc3n2CCCCC3)c2c(C1)occ2	EMOLS-id_318351884,MCULE-7998654158	328.452	ITPVQMWYROIGPA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058571
CC(C)c1ccc(CN(C)C2CCc3nn(C)c(=O)n3CC2)cc1	EMOLS-id_97041686,MCULE-4400137516	328.452	JIMQCHVHTGHXTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058572
CCCCN(C)C1CCc2nn(Cc3ccccc3)c(=O)n2CC1	MCULE-7266993186,EMOLS-id_97042230	328.452	DEODHQQQTHACNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058573
CC(C)COCC1CCn2nccc2CN1Cc1ncccc1C	EMOLS-id_313820451	328.452	YSTTWMYQQCVHOD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058574
CC(CN(C1CCn2c(CC1)nn(c2=O)Cc1ccccc1)C)C	MCULE-4627926618,EMOLS-id_97042140	328.452	FZDCFGRMXRLHNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058575
CC(CN(Cc1nnc2n1CCCCC2)Cc1ccccc1)(O)C	EMOLS-id_318347944	328.452	WITUWGMPVLSIIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058576
Cn1cc(CN2Cc3cccn3C[C@@H](CCOCC3CC3)C2)cn1	ZINC22_585095065	328.452	CMUINNUNDFRYFO-KRWDZBQOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058577
Cn1cc(CN2Cc3cccn3C[C@H](CCOCC3CC3)C2)cn1	ZINC22_585095066	328.452	CMUINNUNDFRYFO-QGZVFWFLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058578
Cn1cc(CN2CC(CCOCC3CC3)Cn3cccc3C2)cn1	EMOLS-id_313749428	328.452	CMUINNUNDFRYFO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058579
CN(C)CC(O)c1cc2CN(CCc3ccccc3)CCCn2n1	PC-id_90647271,MCULE-3670456959,EMOLS-id_50525551	328.452	FALAMRXLFDEKFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058580
CN(C[C@H](c1nn2c(c1)CN(CCC2)CCc1ccccc1)O)C	PC-id_100002034	328.452	FALAMRXLFDEKFT-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058581
CN(C[C@@H](c1nn2c(c1)CN(CCC2)CCc1ccccc1)O)C	PC-id_100002037	328.452	FALAMRXLFDEKFT-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-058582
COc1ccc(cc1)C(C(C)C)NCc1nnc2n1CCCCC2	EMOLS-id_318300600	328.452	YFASXDIXJREEEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058583
COc1ccc(cc1)C(C(NCc1nnc2n1CCCCC2)C)C	EMOLS-id_318212783	328.452	NTMWCIONDZUKAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058584
COc1c(C)cc(cc1C)CNC(c1nnc2n1CCCCC2)C	PC-id_47614289,MCULE-8732203254	328.452	DZUKFFBJXSGKFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058585
COc1c(C)cc(CN[C@@H](C)c2nnc3n2CCCCC3)cc1C	ZINC22_71825194,PC-id_95582528	328.452	DZUKFFBJXSGKFG-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058586
COc1c(C)cc(CN[C@H](C)c2nnc3n2CCCCC3)cc1C	ZINC22_71825195,PC-id_95582529	328.452	DZUKFFBJXSGKFG-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058587
N#Cc1c(NC(=O)/C=Cc2cccs2)sc2c1CCCCC2	CoCoCo_5816887	328.452	JBVJVNXBRXNNFC-HJWRWDBZSA-N	00000000100100000100000000000010000000000000000000000000	31-01-058588
N#Cc1c(NC(=O)/C=C/c2cccs2)sc2c1CCCCC2	GD-id_ZINC00483558,EMOLS-id_26497185,ZINC22_483558,TIMTEC233027,CoCoCo_5816886,PC-id_903403	328.452	JBVJVNXBRXNNFC-CMDGGOBGSA-N	00000000100100000100000000000010000000000000000000000000	31-01-058589
s1c2CCCCCc2cc1C(=O)Nc1sc2c(n1)cccc2	PC-id_7926144	328.452	LXIHPLYVBQCCGD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058590
c12CN(CCC)CCCn1nc(CNc1c(CCC)cncn1)c2	ZINC22_82133659,MCULE-9506458040,PC-id_70759742,EMOLS-id_44442769	328.455	DCLHQOFDAGMKDV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-058591
c12CN(CCCn1nc(CNc1nc(C)cc(C)n1)c2)CC(C)C	PC-id_70711818,EMOLS-id_44425997,MCULE-2150856986,ZINC22_82091915	328.455	DXAATWQZMRAZBE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-058592
C1CCc2nnc(CCCCc3nnc4n3CCCCC4)n2CC1	PC-id_7298798,MCULE-6610943774,CoCoCo_6269385,ZINC22_4594483,EMOLS-id_9986569	328.455	KUENWQGUGYFFEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058593
Cc1cccc(CN2CCCn3c(nnc3CN(C)C(C)C)C2)n1	PC-id_97519795,ZINC22_96259713,EMOLS-id_44370972	328.455	NXWWJQCIWOSATP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058594
Cc1cc(C)n([C@H]2CCCN(Cc3nnc4n3CCCCC4)C2)n1	ZINC22_375798624	328.455	TZGJDDSYICCKTP-INIZCTEOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-058595
Cc1cc(C)n([C@@H]2CCCN(Cc3nnc4n3CCCCC4)C2)n1	ZINC22_375798625	328.455	TZGJDDSYICCKTP-MRXNPFEDSA-N	00000000100010000101100000000010000000000000000000000000	31-01-058596
Cc1c(CN2Cc3ccnn3CCC2CN2CCCC2)cnn1C	EMOLS-id_313744564	328.455	BRVZXMSUDVOBBL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058597
Cc1c(CN2Cc3ccnn3CC[C@H]2CN2CCCC2)cnn1C	ZINC22_585096738	328.455	BRVZXMSUDVOBBL-KRWDZBQOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058598
Cc1c(CN2Cc3ccnn3CC[C@@H]2CN2CCCC2)cnn1C	ZINC22_585096739	328.455	BRVZXMSUDVOBBL-QGZVFWFLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058599
Cc1cc(n(n1)C1CCCN(C1)Cc1nnc2n1CCCCC2)C	MCULE-3048271995,EMOLS-id_316039871	328.455	TZGJDDSYICCKTP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-058600
Cc1cnnn1Cc1ncn2c1CN(CC1CCCCC1)CCC2	EMOLS-id_313730780,ZINC22_2055715739	328.455	FPQMQEVDBZHNOP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058601
CCC(c1nnc2n1CCCCC2)NC1CCCc2c1cn(n2)C	EMOLS-id_318208384,MCULE-4358650364	328.455	LYLMCSUTBNAAJP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058602
CCC(c1nnc2n1CCCCC2)NC1CCCc2c1cnn2C	MCULE-6342770764,EMOLS-id_318086441	328.455	GGQYWFNKSPPNQW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058603
CN1CCC(CC1)n1ccc(n1)NCc1cnc2n1CCCCC2	EMOLS-id_318685194,MCULE-9789412335	328.455	RGBVTAMUSTUQBV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-058604
Cn1cc(CN2CCc3ncc(CN4CCCCC4)n3CC2)cn1	ZINC22_96196881,PC-id_97467025,EMOLS-id_44328695	328.455	YEQDFOQPTNKBTB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058605
Cn1ccnc1CN1CCc2n(CC1)c(cn2)CN1CCCCC1	PC-id_97467026	328.455	JSJOLGNYSJJIHE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058606
Cn1nccc1C1CCCC(C1)NCc1nnc2n1CCCCC2	EMOLS-id_318470833,MCULE-7242173931	328.455	GJUVTABBDDFJHU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-058607
CN(C(C)C)Cc1nnc2n1CCN(CC2)Cc1cccc(n1)C	PC-id_97405774	328.455	YEJFKKLLKFUFDR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058608
N1(CCCn2nc(cc2C1)CNc1ncnc(c1C)C)CC(C)C	PC-id_70785528	328.455	GVSHOTXYWIWDSM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-058609
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CCc1c2c(c(s1)CC)OCC(CO2)(COCC)COCC	PC-id_134814573	328.467	KOLMOVUJHSFHJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058611
CCOCCC1CN(CCS(=O)(=O)CC)Cc2cccn2C1	EMOLS-id_313745845	328.47	AMYQAFKALCMHLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058612
CCOCC[C@H]1CN(CCS(=O)(=O)CC)Cc2cccn2C1	ZINC22_585095029	328.47	AMYQAFKALCMHLE-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058613
CCOCC[C@@H]1CN(CCS(=O)(=O)CC)Cc2cccn2C1	ZINC22_585095030	328.47	AMYQAFKALCMHLE-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058614
C12(C3C=CC1C(C3)C(=O)Nc1sc3c(CCCCCC3)n1)CC2	PC-id_46972912,EMOLS-id_30441399,SYN-20121317,MCULE-6449496772	328.472	VDMHBLZZKLQJCE-UHFFFAOYSA-N	00100011100000000101000000000010000000000000000000000000	31-01-058615
c1(cc2c(CCCCCC2)s1)C(=O)N(CC)Cc1ccncc1	CoCoCo_1042472,TIMTEC514060,MCULE-6086355313,ZINC22_6698601,EMOLS-id_2544016,PC-id_6464545	328.472	VXERSISLUVDWDK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-058616
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c1(NC(=O)CC(C)(C)c2ccccc2)sc2c(CCCCC2)n1	MCULE-5375397887,EMOLS-id_323481957	328.472	GHISFLJIHQUVDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058618
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(cc1)C(C)(C)C	MCULE-1446848035,EMOLS-id_323478293	328.472	GVWSZEXOVVLJMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058619
CCNCc1ccccc1NC(=O)c1cc2c(s1)CCCCC2	PC-id_119439299	328.472	IRGAJAXOKMWVMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058620
CN(C)Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1	PC-id_31416820,ZINC22_23899123,MCULE-7663356662,EMOLS-id_44523739	328.472	HDVGUNXETADROK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058621
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N#Cc1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCCCC2	ZINC22_100545157	328.472	HZTVMUPFFFOFAU-NFAWXSAZSA-N	00000010100010000100000000000110000000000000000000000000	31-01-058623
N#Cc1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCCCC2	ZINC22_101511704,PC-id_6974775	328.472	HZTVMUPFFFOFAU-KCQAQPDRSA-N	00000010100010000100000000000110000000000000000000000000	31-01-058624
N#Cc1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCCCC2	ZINC22_101511707,PC-id_7302552	328.472	HZTVMUPFFFOFAU-YDHLFZDLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-058625
N#Cc1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCCCC2	ZINC22_4611933,PC-id_11894746,CoCoCo_682858	328.472	HZTVMUPFFFOFAU-GUTXKFCHSA-N	00000010100010000100000000000110000000000000000000000000	31-01-058626
N#Cc1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCCCC2	ZINC22_996130,PC-id_1220921,CoCoCo_682856	328.472	HZTVMUPFFFOFAU-GZBFAFLISA-N	00000010100010000100000000000110000000000000000000000000	31-01-058627
N#Cc1c(NC(=O)[C@H]2C[C@H]3C[C@@H]2CC3)sc2c1CCCCCC2	CoCoCo_682857,PC-id_868254	328.472	HZTVMUPFFFOFAU-IPYPFGDCSA-N	00000010100010000100000000000110000000000000000000000000	31-01-058628
N#Cc1c(NC(=O)[C@@H]2C[C@H]3C[C@@H]2CC3)sc2c1CCCCCC2	PC-id_6544578,CoCoCo_682859	328.472	HZTVMUPFFFOFAU-VNHYZAJKSA-N	00000010100010000100000000000110000000000000000000000000	31-01-058629
O=C(C(C(c1ccccc1)N)(C)C)N1CCCc2c(C1)ccs2	MCULE-8271180181,EMOLS-id_318307908	328.472	GPDVPIADXXZDQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058630
O=C([C@@H]1C[C@@H]2C3([C@H]1C=C2)CC3)Nc1sc2c(n1)CCCCCC2	CoCoCo_500210,PC-id_51583239	328.472	VDMHBLZZKLQJCE-MCIONIFRSA-N	00100011100000000101000000000010000000000000000000000000	31-01-058631
O=C([C@H]1C[C@@H]2C3([C@H]1C=C2)CC3)Nc1sc2c(n1)CCCCCC2	CoCoCo_500211,PC-id_51583240	328.472	VDMHBLZZKLQJCE-RDBSUJKOSA-N	00100011100000000101000000000010000000000000000000000000	31-01-058632
O=C([C@@H]1C[C@H]2C3([C@@H]1C=C2)CC3)Nc1sc2c(n1)CCCCCC2	CoCoCo_500212	328.472	VDMHBLZZKLQJCE-BFHYXJOUSA-N	00100011100000000101000000000010000000000000000000000000	31-01-058633
O=C([C@H]1C[C@H]2C3([C@@H]1C=C2)CC3)Nc1sc2c(n1)CCCCCC2	CoCoCo_500213	328.472	VDMHBLZZKLQJCE-MELADBBJSA-N	00100011100000000101000000000010000000000000000000000000	31-01-058634
O=C(C(N1CCCc2c(C1)ccs2)C)N(Cc1ccccc1)C	EMOLS-id_318297739	328.472	BIGGWHIDRUERDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058635
O=C(Nc1nc2c(s1)CCCCCC2)[C@H]1C[C@H]2C=C[C@H]1C12CC1	ZINC22_247514878	328.472	VDMHBLZZKLQJCE-HZSPNIEDSA-N	00100011100000000101000000000010000000000000000000000000	31-01-058636
O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1C[C@H]2C=C[C@H]1C12CC1	ZINC22_247514890	328.472	VDMHBLZZKLQJCE-MGPQQGTHSA-N	00100011100000000101000000000010000000000000000000000000	31-01-058637
s1c2CCCCCc2cc1C(=O)NCCCNc1ccccc1	PC-id_56473377	328.472	LARNYQZVKXITKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058638
s1c2c(CCCCCC2)cc1C(=O)N1C(CCC1)c1[nH]ccc1	PC-id_60544070	328.472	QYXXAZNDRWZFHQ-UHFFFAOYSA-N	00000010110000000100100000000010000000000000000000000000	31-01-058639
s1c2CCCCCCc2cc1C(=O)N(CCc1ncccc1)C	PC-id_60520351	328.472	BKEMSJBXCBHAPA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-058640
s1c(NC(=O)C2[C@@H]3C[C@H](C2)CC3)c(c2c1CCCCCC2)C#N	PC-id_44725140	328.472	HZTVMUPFFFOFAU-NEJHNUGDSA-N	00000010100010000100000000000110000000000000000000000000	31-01-058641
c12CN(CCC)CCCn1nc(CNS(=O)(=O)CCCC)c2	MCULE-6291536317,EMOLS-id_44425851,PC-id_70711428,ZINC22_82091723	328.473	KOADMGMFJLESFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058642
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)CC(C)CCC	EMOLS-id_44451123,MCULE-7505955869,PC-id_70783789	328.473	UVDBCKRASFLIAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058643
Cc1ccc(s1)S(=O)(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110211520	328.473	OQNYSUSGXTZVHA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058644
CCC[C@@H](C)CN1CCCn2nc(CNS(=O)(=O)C)cc2C1	PC-id_96581248,ZINC22_82161327	328.473	UVDBCKRASFLIAI-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058645
CCC[C@H](C)CN1CCCn2nc(CNS(=O)(=O)C)cc2C1	PC-id_96581249,ZINC22_82161328	328.473	UVDBCKRASFLIAI-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058646
CN(CCCS(=O)(=O)N(C)C)Cc1n[nH]c2c1CCCCC2	EMOLS-id_55699847,MCULE-5937158392,PC-id_91842438,ZINC22_244852864	328.473	VANNSKLAAQYQJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058647
C1CCn2c(CC1)nnc2Cc1ccc(cc1)NC1CCSC1	EMOLS-id_318184047,MCULE-2906692285	328.475	AOQPDZYNLSDYDU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-058648
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1)N(C)C	PC-id_19985869,SCHEMBL7292560	328.475	GJKFAQSTIAZOMX-GQCTYLIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-058649
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1N(C)C	PC-id_19985897,SCHEMBL7285939	328.475	MRHANJNDOVXQTL-FNORWQNLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058650
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc(cc1)N(C)C	SCHEMBL7292859,PC-id_19985935	328.475	DIMMHOURKLIXNV-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058651
s1c2CCN(CCc2nc1N)CC=Cc1ccc(N(C)C)cc1	PC-id_53761905	328.475	DIMMHOURKLIXNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058652
s1c2CCN(CCc2nc1N)CC=Cc1cc(N(C)C)ccc1	PC-id_53841498	328.475	GJKFAQSTIAZOMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058653
s1c2CCN(CCc2nc1N)CC=Cc1c(N(C)C)cccc1	PC-id_54087154	328.475	MRHANJNDOVXQTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058654
S=c1n2CCCCCc2nn1CN(C1CCc2c1cccc2)C	PC-id_24650784	328.475	BAERRNQVMBPLOK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058655
O/N=C/c1c2-c(c(c1[Si](C(C)(C)C)(C)C)/C=N/O)ccccc2	PC-id_140655875	328.481	XOVXPVPLVFZANG-AYKLPDECSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058656
CCCCCc1ccc2-c1c(ccc(c2)C(C)C)OC(OCC)C	PC-id_19815653,SCHEMBL9875633	328.488	RUAAHGOZTJVTNZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058657
CCCCCc1ccc2-c1c(OCCOCC)ccc(c2)C(C)C	SCHEMBL9875635,PC-id_53922160	328.488	ILFJGPVJUBQVKI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058658
CC(c1cc(c2-c1ccc(cc2)C(C)(C)C)C#CC1C=CC=C1)(C)C	PC-id_101439447	328.49	LWVKPTNRGKRTFN-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-058659
CS(=O)(=O)N1CCCC(C1)CN1CCCc2c(C1)ccs2	MCULE-9494038985,PC-id_84586993,EMOLS-id_49102222	328.493	JKRLNOYGHOCPOE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-058660
CS(=O)(=O)N1CCC[C@@H](CN2CCCc3sccc3C2)C1	PC-id_97597448,ZINC22_96461284	328.493	JKRLNOYGHOCPOE-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-058661
CS(=O)(=O)N1CCC[C@H](CN2CCCc3sccc3C2)C1	ZINC22_96461283,PC-id_97597447	328.493	JKRLNOYGHOCPOE-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-058662
c1(C#N)c2CCCCCc2sc1NCSCc1ccccc1	ZINC22_3667252,PC-id_4440176,CK3212737,CoCoCo_1944100,MCULE-5897273052,EMOLS-id_6763071	328.495	SHWTYRZNWQDFRP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058663
S(c1oc(c2CCCCCc12)CCCCCC)c1ccccc1	PC-id_13780471	328.511	CMUTUBCMMOEQFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058664
Cc1cccc(c1Nn1c(=O)c(c2-c1ccccc2)C(=O)O)Cl	PC-id_71210489,SCHEMBL14584128	328.75	JFVQPVBZAJKZKR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-058665
Clc1ccc(c(c1)C)Nn1c(=O)c(c2-c1ccccc2)C(=O)O	PC-id_58796783,SCHEMBL5436591	328.75	SMBDKZQMEHFGRC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-058666
Clc1cncc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028484	328.778	GZBIQXQLGZRJMK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058667
ClCC(=O)NC1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C	MCULE-6660845473	328.795	FWLJYRPRQWZZBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058668
c1(cc2c(cccc2Cl)n1C)C(=O)N1CCCn2cncc2C1	EMOLS-id_43132081,MCULE-2844023721,PC-id_56900682,ZINC22_72143072	328.796	IJDWGDIMTARCAM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-058669
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]c2c(c1Cl)cccc2	EMOLS-id_319182552	328.796	GSWFVJDVZPAQHR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-058670
Clc1cc(/C=C(c2n3CCCCCc3nn2)/C#N)c(OC)cc1	PC-id_47056714	328.796	KXUHQXCCAXGPGP-LCYFTJDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-058671
Clc1cc(C=C(c2n3CCCCCc3nn2)C#N)c(OC)cc1	PC-id_72049248,EMOLS-id_32035930,MCULE-4088905252	328.796	KXUHQXCCAXGPGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058672
N#Cc1cc(Cl)ccc1Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_316615565	328.796	SWCKTEHBEZGKRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058673
N#C/C(=Cc1cc(Cl)ccc1OC)/c1nnc2n1CCCCC2	PC-id_94468743	328.796	KXUHQXCCAXGPGP-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058674
Cc1ccc(N/N=C(C#N)/c2nnc3n2CCCCC3)cc1Cl	CoCoCo_3692471,ZINC22_5447049,PC-id_6262462	328.799	MJHVXIAOIOPXPD-XSFVSMFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058675
Clc1c(ccc(N/N=C(c2n3CCCCCc3nn2)/C#N)c1)C	CoCoCo_3692472,PC-id_6534285	328.799	MJHVXIAOIOPXPD-ZHZULCJRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058676
Clc1c(ccc(NN=C(c2n3CCCCCc3nn2)C#N)c1)C	EMOLS-id_36721794,PC-id_5069114,MCULE-2108989287	328.799	MJHVXIAOIOPXPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058677
Clc1cc(F)c(cc1C(c1cc2c(s1)CCCCC2)O)F	PC-id_107477190	328.805	JQYSZAJWFKKVHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058678
O=C(OCc1nnsc1Cl)c1cc2c(s1)CCCCC2	MCULE-2830483982,EMOLS-id_43973325,PC-id_24496547,ZINC22_21602995	328.838	YKYBHWCCYOSXNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058679
O=S(=O)(c1cncc(Cl)c1)N1CCCc2sccc2C1	ZINC22_195545559,MCULE-8217097904,EMOLS-id_50609972,PC-id_99850446	328.838	WEANKXNENIZVSD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-058680
c1(NC(=O)CCCCl)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_5819728,MCULE-1963494683,SPECS-id_AK-968/12571018,EMOLS-id_4992411,PC-id_4059409,TIMTEC311938	328.857	MLSGIXHIRPCWNG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-058681
Clc1sc(C(Sc2n3CCCCCc3nn2)CN)cc1	PC-id_61628408	328.884	IAUNWIDWCUCLFC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058682
C1CN(CCC2=C1C(=NN2)OS(=O)(=O)C(F)(F)F)C(=O)O	PC-id_154193656	329.029	OHZIWZIPFAEKGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058683
CC1=NC2=C(S1)CCN(CC2)C(C)C3=CC4=C(C=C3)SC=N4	PC-id_154685771	329.102	UZZCENSOCUPXBF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058684
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=NN(C(=O)N4CC3)C	PC-id_154685779	329.131	BPTLKFQIZLUTFX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058685
CC1=CC(=CC=C1)COC(=O)N2CCCN3C(=CC(=N3)C(=O)O)C2	PC-id_149545625	329.138	ZPIOZHHEDGAIQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058686
CC[C@H]([C@H]1C=CCCN2C1=CC=C2C(=O)OC)[C@H]3C=C(C(=O)O3)C	PC-id_164675166	329.163	YIZOHKQBTOYQOV-CKEIUWERSA-N	00000011100000000110000000000010000000000000000000000000	31-01-058687
CC[C@@H]([C@H]1CC(=C)C(=O)O1)[C@H]2C=CCCN3C2=CC=C3C(=O)OC	PC-id_164675167	329.163	LLNGFEXTKJCMET-CKEIUWERSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058688
Clc1ccc2-c(nc(=O)n2CCNC(=O)NCCCl)cc1	SCHEMBL11700865,PC-id_21483641	329.182	TWCLHSAGBKDTAA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-058689
C1CCN2C(=NN=N2)C(C1)C(=O)NCCCCC3=CC(=CC=C3)O	PC-id_155097857	329.185	NZUUHLNFIYMZDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058690
CCNC(=O)C[C@H]1CCC2=NN(C(=O)N2CC1)CC3=CN=CC=C3	PC-id_164637098	329.185	DMKJSEMGVQSQCN-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058691
CN(C)C(=O)C[C@H]1CCC2=NN(C(=O)N2CC1)CC3=CN=CC=C3	PC-id_164641792	329.185	DRJTYJFNDIJGLM-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058692
Brc1ccc(cc1)CC(=O)c1cc2=CC=CCC=c2o1	PC-id_143068224	329.188	FLLSGLGEDCNLPL-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-058693
Brc1cnc(s1)CNC1CCn2c(CC1)nnn2	EMOLS-id_102028274	329.219	QMSIYKRGSFJBOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058694
BrCCCCC(=O)Nc1nn2c(c1)CN(CCC2)C	PC-id_144720738	329.236	FCAXNVNNSDIGMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058695
BrC(C(=O)NC(c1n2CCCCCc2nn1)C)CC	PC-id_55126117	329.236	QIFIRCVDOFVZDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058696
CC(c1nnc2n1CCCCC2)NC(=O)C(Br)(C)C	PC-id_114327938	329.236	WZTWSWQUENYAJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058697
Clc1ccc(c(n1)Cl)CSc1nnc2n1CCCCC2	PC-id_106994761	329.248	HOSKDTQXDMBRDR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058698
Clc1cc(Sc2n3CCCCCc3nn2)c(N)cc1Cl	PC-id_80349949	329.248	QHIHVWYLHUWEEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058699
Clc1c(nc(Cl)cc1)CSc1n2CCCCCc2nn1	PC-id_62884941	329.248	PYOSJXQAYYHGDB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058700
Clc1ncc(c(c1)Cl)CSc1nnc2n1CCCCC2	PC-id_116519611	329.248	KKAMCXIYNKPHJW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058701
Nc1cc(Cl)c(c(c1)Cl)Sc1nnc2n1CCCCC2	PC-id_106891293	329.248	QGSKVXQTRCDUEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058702
O=C(c1cc(F)c(c(c1F)F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102166393	329.253	DKSNVXHHMCEKPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058703
O=C(c1c(F)c(F)cc(c1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102158245	329.253	DPWGZEUQEJHZPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058704
CC1CC=c2c(=CC(=C1)C)ccn2[Si](C(C)C)(C(C)C)C(C)C	PC-id_89821652,PC-id_163671104,SCHEMBL15280358	329.254	JCPJGBLJSJPCLG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-058705
O=C(C1CC1(C)Br)N1CCCCc2c1sc(n2)C	EMOLS-id_318927556	329.256	PLSRCLSLSDFCQX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058706
c1([nH]nc(C(F)(F)F)c1)C(=O)N1CCCn2nc(CO)cc2C1	MCULE-1736258513,PC-id_91776125,EMOLS-id_55648467	329.278	IEDPLONFBDBHMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058707
O=C(c1cnc2n1CCCCC2)NCc1onc(n1)C(F)(F)F	MCULE-1789093322,EMOLS-id_320112914	329.278	CCAUGFCZOMLGOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058708
O=C(c1ocnc1C(F)(F)F)NCc1nnc2n1CCCCC2	EMOLS-id_316670760	329.278	POXUCPBDXFXZHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058709
O=C(C1CCn2c(CC1)nnn2)Nc1cnn(c1C(F)(F)F)C	EMOLS-id_319859046	329.281	LLDRYSTXKCBRDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058710
O=C(c1ncn(c1)CC(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_318985685	329.281	AZYKXFIWNWIFDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058711
C1Cn2cc(nc2OC(C=N1)Cc1ccc(cc1)C(=O)[O-])[N+](=O)[O-]	SCHEMBL14966074,PC-id_89580379	329.288	OSKHOWZZTDGJPA-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-058712
CC1OCCCOc2c(OCCCO1)c([nH]c2C(=O)O)C(=O)O	SCHEMBL2723922,PC-id_67513695	329.303	ZGTULFMDVAMRLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058713
o1c2CCCCC(=O)c2c(OC(=O)Nc2cc3OCOc3cc2)c1	SCHEMBL6952528,PC-id_69945542	329.304	BRIWJCZDURVATB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058714
COC1=CC(=O)Oc2c(OC1=O)c(C)n(c2)NCc1ccncc1	PC-id_140350119	329.307	WPWXDISSJBTBKK-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-058715
OC(=O)c1cc2C(=O)N(Cc3ccc(cc3)C(=O)O)CCCn2n1	EMOLS-id_95575598,MCULE-6302482041	329.307	PUZQFVVBAUNGRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058716
O=C(Cn1c2ccccc2oc1=O)N1CCc2n[nH]c(=O)n2CC1	PC-id_91922363,EMOLS-id_50589901,MCULE-2951569450	329.311	ZQKHCEMVSUZXGJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058717
O=S1(=O)CCc2nnc(C(F)(F)Oc3ccccc3)n2CC1	MCULE-4970957274,EMOLS-id_313166402,ZINC22_630951592	329.322	MKKPZYUWHNNLGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058718
CCOC(=O)C1=CN(CCc2c1[nH]cn2)C(=O)c1ccc(cc1)F	PC-id_11186512,SCHEMBL1652772	329.326	XGRGDOIDUKQZFU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-058719
Fc1cc(ccc1F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026446	329.326	YTCIQAIPQRLZNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058720
Fc1ccc(c(c1)F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026464	329.326	BCCDCCOTHPMBRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058721
Fc1cccc(c1F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026689	329.326	JKUVCLCMRRUGIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058722
Fc1cccc(c1S(=O)(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102026536	329.326	LGDOTCWSBMRROE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058723
Fc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102026557	329.326	FBZDHLGNXREREI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058724
Fc1cc(F)cc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026596	329.326	JPARVUROVGSCBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058725
Fc1ccc2c(c1)c(C)c(o2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168163	329.329	BUIVVPIUXDFYEA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058726
N#Cc1ccc(c(c1)NC(=O)Cn1nc2n(c1=O)CCCCC2)F	EMOLS-id_316718747	329.329	TZCLTCFVYXZMSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058727
c12C(CCCCn1nnn2)C(=O)NCc1[nH]c2c(cc(cc2)F)n1	MCULE-8358873330,PC-id_118785189,EMOLS-id_68920583	329.332	BZAQMZXDOFXAEB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058728
O=C(NCc1nc2cc(F)ccc2[nH]1)[C@H]1CCCCn2nnnc12	ZINC22_299774192	329.332	BZAQMZXDOFXAEB-JTQLQIEISA-N	00000000100000100101000001000010000000000000000000000000	31-01-058729
O=C(NCc1nc2cc(F)ccc2[nH]1)[C@@H]1CCCCn2nnnc12	ZINC22_299774194	329.332	BZAQMZXDOFXAEB-SNVBAGLBSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058730
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(s1)C(F)(F)F	EMOLS-id_320251466,MCULE-5126518923	329.341	LJKZUGFMJCGDCP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058731
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cscc1C(F)(F)F	EMOLS-id_318767773	329.341	MYFWRHKSTGAYHC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058732
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1csc(c1)C(F)(F)F	EMOLS-id_319140288	329.341	XLZDSZYWDSYFAA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058733
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1scc(c1)C(F)(F)F	MCULE-3618932160,EMOLS-id_320157147	329.341	NKKCLHNHFJGKSA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058734
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc([nH]1)C(F)(F)F	EMOLS-id_319107737	329.341	PZIAXZJBWUVQBT-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-058735
Cc1nc2c(s1)N(CCCC2)C(=O)c1c[nH]c(c1)C(F)(F)F	EMOLS-id_319113585	329.341	DFJOCOLPUFAWMO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-058736
O=C(c1scc(c1)C(F)(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_319387795	329.341	UETCGGBWWRECTK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-058737
FC(C(N1CCOCC1)CC(=O)N1CCCn2c(C1)cnn2)F	EMOLS-id_319992811,MCULE-7237542379	329.346	TXIJCTJNMHNEPU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058738
CCOC(=O)c1c2-c(c(c1NC(=O)C)C(=O)OCC)ccccc2	PC-id_102370783	329.347	DXOXZUJYFSJUJN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058739
CCOC(=O)C/C(=C/c1ccc2n1c(=O)cccc2)/C(=O)OCC	PC-id_134869829	329.347	YTNAMSBGFZZLRW-QBFSEMIESA-N	00000000100000000110000000000010000000000000000000000000	31-01-058740
COC(=O)c1c2-c(ccccc2)c(c1)C=C1c2ccccc2NC1=O	SCHEMBL3283786,PC-id_87504657	329.349	SVEQFGBRLGRTMW-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-058741
COC(=O)c1cc(c2-c1ccccc2)/C=C/1C(=O)Nc2c1cccc2	SCHEMBL3283782,PC-id_59301627	329.349	SVEQFGBRLGRTMW-BOPFTXTBSA-N	00000010100000100110000000001010000000000000000000000000	31-01-058742
FC(CN1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102159052	329.349	YRWRNELVLJHZOS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058743
c12CN(CCCn1nc(CO)c2)C(=O)Cc1ccc2c(OCO2)c1	MCULE-3867885399,EMOLS-id_55679015,PC-id_91786665	329.35	XQGBZSUACACGFA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058744
CCc1c(ccc(n1)OC)NC(=O)c1coc2c1C(=O)NCCC2	PC-id_136567132,EMOLS-id_316959693,MCULE-3962220490	329.35	IFMDMCCQIWRNDV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-058745
CN(C(=O)c1coc2c1C(=O)NCCC2)CC(c1cccnc1)O	EMOLS-id_319780592	329.35	USUALSXQJYQMPD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-058746
COc1cc2OCOc2cc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319140432	329.35	VQTKPDJYWOMPMF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058747
COc1ccc(cc1)Cn1cc2C(=O)CCCN(c2n1)CC(=O)O	SCHEMBL15129782,PC-id_89705095	329.35	NGBJINLEDYETLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058748
COc1cc(ccc1[N+](=O)[O-])C(=O)N1CCCCc2c1ccn2C	PC-id_101942645	329.35	WWUMTYWZORSFRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058749
COC1CN(Cc2ccnn2C1)C(=O)Cc1ccc2OCOc2c1	EMOLS-id_50007132	329.35	RPOBEWCZWDEOPD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058750
COc1nn(C)c2c1CCCN(C(=O)c1ccc3c(c1)OCO3)C2	ZINC22_96254463,CHEMBL3554579,PC-id_97515514,EMOLS-id_44366626	329.35	FCKWHHUDEJHZIR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058751
COCC1CN(Cc2ccnn2C1)C(=O)c1ccc2OCOc2c1	EMOLS-id_44326815	329.35	PUQGYZWOSONTIM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058752
COCC1CN(Cc2cncn2C1)C(=O)c1ccc2OCOc2c1	EMOLS-id_49229367	329.35	QPZLBBSTWYNYKU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058753
COC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_96188908,PC-id_97463333	329.35	PUQGYZWOSONTIM-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058754
COC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_96188909,PC-id_97463334	329.35	PUQGYZWOSONTIM-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058755
COC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cncn2C1	ZINC22_96206914,PC-id_97475070	329.35	QPZLBBSTWYNYKU-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058756
COC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cncn2C1	ZINC22_96206915,PC-id_97475071	329.35	QPZLBBSTWYNYKU-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058757
CO[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_247886003	329.35	RPOBEWCZWDEOPD-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058758
CO[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_247886012	329.35	RPOBEWCZWDEOPD-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058759
COC(=O)c1cn2c(n1)CNC(CC2)C(=O)OCc1ccccc1	PC-id_68588313,SCHEMBL3303811	329.35	UGDSYMCJLZHJAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058760
O=C1N(CCCn2c1cc(c2)C(=O)NO)Cc1cc(OC)ccc1	SCHEMBL12210689,PC-id_58465779	329.35	ZWIHXJHDJJKWLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058761
O=C(c1coc2c1C(=O)NCCC2)N1CCC(CC1)c1cnco1	EMOLS-id_319666964	329.35	BGAODQRZYHTBLN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-058762
O=C(NCCC(=O)N1CCCc2occc2C1)c1ncccc1O	ZINC22_1875263538	329.35	VXJMYAMLQAOFKJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-058763
c12C(CCCCn1nnn2)C(=O)NCCc1ccc2c(OCO2)c1	MCULE-7026156311,EMOLS-id_49650138,PC-id_74235591	329.354	WFLZPFCKXOBUPJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058764
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(nc1)N	PC-id_70730434,MCULE-6935994400,EMOLS-id_43101055,ZINC22_72421864	329.354	AGWRTVTXPIIPAP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058765
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1cnc(cn1)C	ZINC22_72431833,PC-id_56899697,EMOLS-id_43129167,MCULE-1311591611	329.354	XKSATLPROKHPLH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-058766
C1C(Cn2c(cc(n2)C(=O)NCCCc2ccccn2)C(=O)N1)O	PC-id_135114937	329.354	DQAMOXKKXYGMDZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058767
c1(cnc([nH]c1=O)C1CC1)C(=O)N1CCCn2nc(CO)cc2C1	MCULE-9182723580,PC-id_91783808,EMOLS-id_55670801	329.354	ACUDOYPNWWCHEW-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-058768
c1(C(=O)NC)cn2c(CCN(CC2)C(=O)c2cccnc2OC)n1	ZINC22_1875250916,MCULE-6765467090,EMOLS-id_331137596	329.354	BLMWLCFMMAXVME-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058769
Cc1c(ccnc1)CN(C)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135105330	329.354	OFZWHDYRBMULCT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058770
C#CCCC1(CCC(=O)N2Cc3nccn3C[C@@H](C(=O)O)C2)N=N1	ZINC22_2325900796	329.354	JMMLZKGJUHQTHE-GFCCVEGCSA-N	00110000100000000101000000000010000000000000000000000000	31-01-058771
C#CCCC1(CCC(=O)N2Cc3nccn3C[C@H](C(=O)O)C2)N=N1	ZINC22_2325900797	329.354	JMMLZKGJUHQTHE-LBPRGKRZSA-N	00110000100000000101000000000010000000000000000000000000	31-01-058772
CN1C(=O)CCCc2occ(C(=O)NCC3(n4ccnn4)CC3)c12	ZINC22_2325786708	329.354	WDYBCCJNELIRLD-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-058773
CN(Cc1nnc2n1CCCCC2)C(=O)c1ccc([N+](=O)[O-])cc1	MCULE-1276298260,ZINC22_8762042,EMOLS-id_16656847,CoCoCo_4524788,PC-id_16300095	329.354	PUEWYZDRIMDVDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058774
Nc1cc2n(n1)CCCN(C2)C(=O)Nc1cc2OCOc2cc1C	EMOLS-id_319744164	329.354	HYLGOHPIBBXZQM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058775
O=C1CCCN1Cc1nnc2n1CCCN(C(=O)c1ccco1)C2	PC-id_97519712,ZINC22_96259630,EMOLS-id_44370808	329.354	XNLUMBNANMQTJV-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058776
O=C(c1cccc(n1)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_119180008	329.354	ULXZNZZLEYIHQB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058777
O=C(c1ccc(nc1)C(=O)O)NCCc1nnc2n1CCCCC2	EMOLS-id_51016917,PC-id_121835192,MCULE-4158270716	329.354	AWKMAOUZAWHCLA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058778
O=C(c1ccnc(c1)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_119180006	329.354	HPVPLMCRPMDJNX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058779
O=C(c1nccc(c1)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_122055098	329.354	YQKBAUOQANPCSS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058780
O=C(c1oc2c(c1C)C(=O)CCC2)NC1CCn2c(CC1)nnn2	EMOLS-id_102164554	329.354	SZSCLYIGBHHRPQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058781
O=C(Cc1ccccc1[N+](=O)[O-])NCc1nnc2n1CCCCC2	MCULE-6036586519,ZINC22_12753560,EMOLS-id_18827879,CoCoCo_4625724,PC-id_25484916	329.354	YRFRJYXAOOZXSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058782
O=C(N1CCCn2c(C1)cc(n2)N)NCc1cccc2c1OCO2	EMOLS-id_319257738	329.354	CALBYNQHPQSVEU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058783
O=C(NCc1n2CCCCCc2nn1)c1c(ccc([N+](=O)[O-])c1)C	PC-id_60596209	329.354	NSTJLQJDJFQCEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058784
O=C(NCc1n2CCCCCc2nn1)c1cc(c([N+](=O)[O-])cc1)C	PC-id_78796657	329.354	AXGQVCBAABBMMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058785
O=C(NCc1n2CCCCCc2nn1)c1c(c([N+](=O)[O-])ccc1)C	PC-id_78796658	329.354	WXPHQQHCJZSXDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058786
O=C(NCc1n2CCCCCc2nn1)c1cc([N+](=O)[O-])c(cc1)C	PC-id_78796660	329.354	HZILHFBPGHHACI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058787
O=C(NCc1n2CCCCCc2nn1)c1c([N+](=O)[O-])c(ccc1)C	PC-id_46524903	329.354	KISMNVIXAKJMRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058788
O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCCCn2nnnc12	PC-id_97894140,ZINC22_97474985	329.354	WFLZPFCKXOBUPJ-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058789
O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCCCn2nnnc12	ZINC22_97474986,PC-id_97894141	329.354	WFLZPFCKXOBUPJ-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058790
c12n(C)ncc1c(=O)[nH]c(CN1CCCn3nc(CO)cc3C1)n2	PC-id_136661943,EMOLS-id_55602688,MCULE-8949066376	329.357	KJEOGRNNANHISD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058791
Cc1cn(nc1)CCC(=O)N1CCc2nn(c(=O)n2CC1)CC#N	PC-id_91922552	329.357	PDYWUGGEYITLCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058792
Cn1c2-c(c(=O)nc(n2)CN2CCCn3c(cc(n3)CO)C2)c[nH]1	PC-id_91759972	329.357	FPRQQEMREBHORI-UHFFFAOYSA-N	00000010100010100101000001000010000000000000000000000000	31-01-058793
Cn1cnc(C(=O)N2CCCn3ncc(C(=O)NC4CC4)c3C2)n1	ZINC22_1565543950,EMOLS-id_313762511	329.357	INLYFNMARFNDPA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058794
O=C1CCCN1Cc1nnc2n1CCCN(C(=O)c1cc[nH]n1)C2	ZINC22_96259632,PC-id_97519714,EMOLS-id_44370812	329.357	BEFYNHPRVABSAZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058795
O=C1CCCN1Cc1nnc2n1CCN(C(=O)c1cc[nH]n1)CC2	ZINC22_1565546955,EMOLS-id_313727451	329.357	CBOQATKDVLVTPF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058796
O=C(c1nc2n(n1)CCCC2)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL19658702	329.357	LLIZHJUQEAMHFL-JTQLQIEISA-N	00000000100010000101000000010010000000000000000000000000	31-01-058797
O=C(NC1CCC1)C1CN(Cc2ncnn2C1)C(=O)c1cc[nH]n1	EMOLS-id_313721817	329.357	PUULBXVFSQHHBM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-058798
O=C(NC1CCC1)[C@@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1	ZINC22_1565549342	329.357	PUULBXVFSQHHBM-SNVBAGLBSA-N	00001000100000000101000000000010000000000000000000000000	31-01-058799
O=C(NC1CCC1)[C@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1	ZINC22_2055704344	329.357	PUULBXVFSQHHBM-JTQLQIEISA-N	00001000100000000101000000000010000000000000000000000000	31-01-058800
N#CC1=CCc2c(C=C1)nc([nH]2)Cc1nc2c([nH]1)cc(cc2)C(=N)N	PC-id_141951768	329.359	FOAWRYXVPVNGBW-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-058801
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCCCC1)C(F)(F)F	EMOLS-id_319717923	329.361	YDZBAEJSBOAWKK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058802
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCC(CC1)C(F)(F)F	MCULE-4103017254,EMOLS-id_320071758	329.361	IFQPKPVNQCYXEW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058803
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	MCULE-6224650306,EMOLS-id_320322314	329.361	XIICPQHJBABGIE-SKVSWLLESA-N	00000000100010000101000000000010000000000000000000000000	31-01-058804
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC1CCCC1	PC-id_19527290	329.361	DOJANODFXYXZGZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058805
CCc1cc2n(c1C(=O)c1ccccc1F)CCCCC2C(=O)O	SCHEMBL11194031,PC-id_20484101	329.365	OSDDNAJJFAHFHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058806
CCOC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(cc1)F	PC-id_20484172,SCHEMBL11198478	329.365	WYTQIZZPLOVNIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058807
CC1CC1C(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_55751641	329.369	HZLHNIQXRDYIGQ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-058808
C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_575405436	329.369	HZLHNIQXRDYIGQ-BPLDGKMQSA-N	00100000100000101101000000000010000000000000000000000000	31-01-058809
C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_575405437	329.369	HZLHNIQXRDYIGQ-SNPRPXQTSA-N	00100000100000101101000000000010000000000000000000000000	31-01-058810
C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_575405439	329.369	HZLHNIQXRDYIGQ-VHDGCEQUSA-N	00100000100000101101000000000010000000000000000000000000	31-01-058811
C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_575405441	329.369	HZLHNIQXRDYIGQ-YUELXQCFSA-N	00100000100000101101000000000010000000000000000000000000	31-01-058812
FC1CC(C1)C(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55752065	329.369	FOFBWAGKFBPKPF-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-058813
Fc1ccc(c(c1)NC1CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101039050	329.369	HCEUIYWZXXNKQM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-058814
Fc1ccc(cc1)NC1CN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_316691832	329.369	KZXDDHWFYIKDOD-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-058815
Fc1cccnc1OC1CN(Cc2cccn2C1)C(=O)C1CCC1	EMOLS-id_55751649	329.369	CWTALDUKTJQNDH-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-058816
O=C(C1CCC1)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_575404473	329.369	CWTALDUKTJQNDH-HNNXBMFYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-058817
O=C(C1CCC1)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_575404474	329.369	CWTALDUKTJQNDH-OAHLLOKOSA-N	00001000100000101101000000000010000000000000000000000000	31-01-058818
O=C(C1CC(F)C1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575404891	329.369	FOFBWAGKFBPKPF-XUJLQICISA-N	00001000100000101101000000000010000000000000000000000000	31-01-058819
O=C(C1CC(F)C1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575404898	329.369	FOFBWAGKFBPKPF-ZBCRRDGASA-N	00001000100000101101000000000010000000000000000000000000	31-01-058820
c12CN(CCCn1nc(CO)c2)CCc1[nH]c2c(ccc(F)c2)n1	EMOLS-id_55638836,PC-id_91772743,MCULE-2388442206	329.372	QWUGSNPSGUHHEW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058821
CCOC(=O)CNS(=O)(=O)c1cn2c(c1)C(=O)N(CCC2)C	EMOLS-id_33086942,PC-id_53182888,MCULE-3463138919	329.372	WWYRYLIJLAURDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058822
Fc1ccc2c(c1)C(CC2)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320022536,MCULE-5866061800	329.372	HYDNGXCDCUAZIM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058823
Fc1ccc2c(c1)CCC2NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320207322,MCULE-9227877792	329.372	AZGRLAFIVYODAU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058824
Fc1cccc(c1)C1(CCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166375	329.372	DKSZDHBFJGQLHA-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-058825
Fc1cccc(c1)[C@@H]1C[C@H]1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318856209	329.372	WTLQPKZSZKHJCO-LSDHHAIUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-058826
Fc1ccc(c(c1)NC1CC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320228939,MCULE-8944650513	329.372	YPXGVDHROAQUHP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-058827
Fc1ccc(cc1)NC1CN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316499415	329.372	PLQIIPIPUSHLHR-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-058828
O=C(C1CCn2c(CC1)nnn2)NCc1ccc(cc1F)C1CC1	EMOLS-id_316889272,MCULE-1361670191	329.372	WOQLBGBMBOWDBG-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-058829
O=C(NCc1ccc(C2CC2)cc1F)[C@@H]1CCc2nnnn2CC1	ZINC22_573732832	329.372	WOQLBGBMBOWDBG-GFCCVEGCSA-N	00100000100000110101100000000010000000000000000000000000	31-01-058830
O=C(NCc1ccc(C2CC2)cc1F)[C@H]1CCc2nnnn2CC1	ZINC22_573732834	329.372	WOQLBGBMBOWDBG-LBPRGKRZSA-N	00100000100000110101100000000010000000000000000000000000	31-01-058831
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc2c1oc(=O)[nH]2	MCULE-5767366522,EMOLS-id_319917359	329.374	BRTFWEPRNNHOPA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058832
O=C(N1CCCc2c(C1)cco2)Nc1noc(c1)c1cccs1	MCULE-1746077685,EMOLS-id_319991449	329.374	NEXISQVQPZEZNZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-058833
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(n1)[nH]c(=O)[nH]2	EMOLS-id_318770327	329.377	BIUOPBWKAZWVSN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058834
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccn2c1n[nH]c2=O	EMOLS-id_320013534,MCULE-6101342396	329.377	HSMBXHFWJUHVEU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058835
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccn2c(c1)n[nH]c2=O	EMOLS-id_319367515	329.377	VHTJHPVPKBMHSU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058836
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccnc2c1nc([nH]2)O	EMOLS-id_319526862	329.377	IZLAHDQLWCUNND-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058837
Cc1nc2c(s1)N(CCCC2)C(=O)c1cn2c(n1)c(=O)[nH]cc2	MCULE-7698139757,EMOLS-id_319988096	329.377	NNBQSFCYFVDRSK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058838
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc2c(c1)[nH]c(=O)[nH]2	EMOLS-id_318770822	329.377	XUUQZCKECDIPJB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058839
Cn1nnc(c1)c1onc(c1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319611015	329.377	RJQRMAIMTKAVFV-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-058840
N#Cc1c(NC(=O)c2noc3c2CCCCC3)nc2n1CCS2	EMOLS-id_53783339,PC-id_99621343,MCULE-5797211846,ZINC22_128015032	329.377	ZAPISXNTUHLCSA-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-058841
O=C(c1ccc2n(c1)c(=O)[nH]n2)Nc1nc2c(s1)CCCCC2	EMOLS-id_98260419	329.377	BNVCENUPOVCIFG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058842
O=C(C1CCn2c(CC1)nnn2)NCc1sc2c(n1)cncc2	MCULE-7926709350,EMOLS-id_319912652	329.38	IFAUFCKUWIELMW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058843
O=C(c1cscn1)N1CCc2ncc(Cn3cncn3)n2CC1	PC-id_97390223,ZINC22_96067917,EMOLS-id_46161873	329.38	FICKPWYPXMHJBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058844
O=C(c1csnn1)N1CCCn2nnc(Cn3cccc3)c2C1	ZINC22_1565552422,EMOLS-id_313731034	329.38	SNNUIVRSGOSEBZ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-058845
O=C(c1sccc1n1cnnn1)N1CCCc2c(C1)cnn2C	EMOLS-id_101846446	329.38	ZCPFGRLAGKTMHI-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-058846
O=C(Cc1cccc2c1nsn2)NC1CCn2c(CC1)nnn2	EMOLS-id_319789795	329.38	QOZMSGLMPWQGBV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058847
O=C(Nc1ccc2c(c1)ncs2)NC1CCn2c(CC1)nnn2	EMOLS-id_102016348	329.38	QBUKFVRDYGJMAA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058848
O=C(Nc1ccc2c(c1)scn2)NC1CCn2c(CC1)nnn2	EMOLS-id_102005202	329.38	SDZKGNUHTHGNFU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058849
O=C(Nc1nc2c(s1)cccc2)NC1CCc2n(CC1)nnn2	EMOLS-id_102025435	329.38	QAGGXRDMECBDGE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058850
CC(OC(=O)CC1CCCCc2c(C1(F)F)nnn2C(C)C)C	PC-id_141666513	329.385	WEICQNRHKZLCHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-058851
OCC(CN1CCN(CC1)Cc1nnc2n1CCCCC2)(F)F	EMOLS-id_318215026	329.389	DNTSUWQPGLPFOS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-058852
c12c(=O)cccc(C(=O)OCC)c1c(n(CC1CCCO1)c2C)C	EMOLS-id_6803652,PC-id_5107461,MCULE-5998657774,TOSLab_2007	329.39	WADOQNIDCONPLL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058853
CCCc1cc2n(c1C(=O)c1ccc(o1)C)CCCCC2C(=O)O	PC-id_20483965,SCHEMBL11201190	329.39	BIGCNLCYGBSUDA-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-058854
CCCCc1cc(c2-c1ccc(cc2)CC(=O)NO)C(=O)OCC	PC-id_141580533	329.39	ALKWPGHFHRVALQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058855
CCCCCc1cc(c2-c1cc(ccc2)C(=O)NO)C(=O)OCC	PC-id_141580531	329.39	HSYPSZUDHCWMGF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058856
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)cccc(c2)C(C)C	PC-id_102239303	329.39	DSHJHUJTHSTIST-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058857
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)C(C)C	PC-id_102239311	329.39	SNYGYTPPZSYSBG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058858
CC(OC(=O)c1cc2n(c1C(=O)c1occ(c1)C)CCCCC2)C	SCHEMBL11198044,PC-id_20484131	329.39	GQHWGVFSQSRWIK-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-058859
CCOC(=O)c1cc(c2-c1ccc(cc2)CC(=O)NO)CC(C)C	PC-id_141580530	329.39	DYLLEEOQNNVMHG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058860
CCOC(=O)c1cc(c2-c1cccc(c2)C(=O)NO)CCC(C)C	PC-id_141580553	329.39	YDYHMFYNQBBPFT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058861
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(o1)C)C	SCHEMBL11203634,PC-id_20483700	329.39	WARMGIUVXJTPAE-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-058862
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1ccco1)C)C	SCHEMBL11203715,PC-id_20483916	329.39	OEMRAQXXMXWZQD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-058863
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1ccoc1)C)C	PC-id_20483862,SCHEMBL11198248	329.39	RRCKSHOPACIKKV-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-058864
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1occc1C)C	PC-id_20483881,SCHEMBL11197174	329.39	CYBZTQHPZNELTH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-058865
CCOC(=O)c1cccc(=O)c2c(C)n(C[C@H]3CCCO3)c(C)c12	CoCoCo_6281799,ZINC22_1410413,PC-id_1494126	329.39	WADOQNIDCONPLL-CQSZACIVSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058866
CCOC(=O)c1cccc(=O)c2c(C)n(C[C@@H]3CCCO3)c(C)c12	PC-id_1494127,ZINC22_1410414,CoCoCo_6281798	329.39	WADOQNIDCONPLL-AWEZNQCLSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058867
O(c1c2-c(c(CCCCC)c1)cc(ccc2)C(=O)NOCC)C=O	PC-id_57189136	329.39	JLSRTFZVODIESG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058868
O(c1c2-c(c(CCC(C)C)c1)cc(ccc2)C(=O)NOCC)C=O	PC-id_57209712	329.39	BABNPTVOFHDPPO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058869
O(c1c(c(CC(C)C)c2-c1ccc(cc2)C(=O)NOCC)C)C=O	PC-id_57029608	329.39	BCOBKHHMEQTEIA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058870
O(c1c(c(CCCC)c2-c1ccc(cc2)C(=O)NOCC)C)C=O	PC-id_57214205	329.39	AFKHVMVPYJAUDX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058871
O=C(C(C(O)(C)C)Oc1ccccc1)N1CCCc2c(C1)cco2	EMOLS-id_318381473	329.39	RJUGBBPBRINGCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-058872
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc2c(s1)cc(cc2)F	EMOLS-id_319380899	329.392	AHVOTDNUOXANAW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-058873
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1cccc(OC)c1C	PC-id_90647745,EMOLS-id_50527317,MCULE-4744693896	329.394	HPMWBBOEVHYEOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058874
c12cnn(C)c1CCCN(C(=O)Cc1ccc(c(OC)c1)OC)C2	MCULE-9744300191,AOP-19035203,ZINC22_19289640,PC-id_92566452,EMOLS-id_427574	329.394	DROBVDJXRBETJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058875
c12cnn(C)c1CCCN(C(=O)C(C)Oc1ccccc1OC)C2	EMOLS-id_368190,MCULE-4198571105,PC-id_110224276,AOP-19423358	329.394	LBSPOHWGEAFLHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058876
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1ccc(c(OC)c1)OC)n2	MCULE-2461861377,EMOLS-id_32377718,ZINC22_65380430,PC-id_50953163	329.394	PUKIJSMEKYGZAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058877
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1cccc(OC)c1OC)n2	ZINC22_95391474,EMOLS-id_46650440,PC-id_72937928,MCULE-2159610132	329.394	XPCGWFZKLNZCAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058878
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1cc(OC)cc(OC)c1)n2	EMOLS-id_46603822,ZINC22_95355483,MCULE-6778527272,PC-id_72846375	329.394	MCCFGMOTCWGYAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058879
c1(cc(oc1C)C)C(=O)N1CCCn2c(cc(n2)C(O)C2CC2)C1	MCULE-3452462405,EMOLS-id_55702182,PC-id_91794524	329.394	HFPZSKXSTDMELH-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058880
c1(C(=O)NCc2ccc(c(OC)c2)OC)c2CCCCCc2n[nH]1	ZINC22_96230802,MCULE-6475263307,PC-id_75357033,STOCK7S-46182,EMOLS-id_49246854,EMOLS-id_50403483	329.394	RPUKXKRPXPCLJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058881
c1(C(=O)N(C)CC(O)c2ccc(cc2)O)c2CCCCCc2[nH]n1	MCULE-5605081785,EMOLS-id_323253431	329.394	NEYQVLMAUZTXDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058882
c1(C(=O)OC)cc2n(CCCN(C(C)Cc3ccc(cc3)O)C2)n1	MCULE-7556671077,EMOLS-id_32435098,PC-id_50983594	329.394	QUZPSLFLVCQACQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058883
c1(C(=O)OC)cc2n(CCCN(CCOCc3ccccc3)C2)n1	EMOLS-id_32438484,MCULE-2302321571,PC-id_50985461,ZINC22_65535856	329.394	HNCMMXODSWPKQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058884
Cc1c(cc(cc1)OCc1nnc2n1CCC(CC2)C(=O)OC)C	MCULE-6140144593,PC-id_136557181,EMOLS-id_316955201	329.394	BCVHKAXUFDKRJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058885
Cc1cc(cc(c1)OCc1nnc2n1CCC(CC2)C(=O)OC)C	MCULE-8320751400,PC-id_136557179,EMOLS-id_316954689	329.394	IFOWXEBSJPYVKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058886
Cc1ccc(C)c(OC(=O)Cn2nc3n(c2=O)CCCCC3)c1C	MCULE-9784125651,EMOLS-id_45635021,ZINC22_29251466,PC-id_36438036	329.394	XPUXTAUGZHXFDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058887
Cc1cc(C)c(OC(=O)Cn2nc3n(c2=O)CCCCC3)c(C)c1	PC-id_40027910,MCULE-7023135653,CoCoCo_4778184,ZINC22_32796459,EMOLS-id_25666953	329.394	GYGKQLHITVDXHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058888
Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](OCC3CC3)C2)c(C)o1	ZINC22_247845816	329.394	SJDPYWQRNHZLAC-INIZCTEOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058889
Cc1cc(C(=O)N2Cc3ccnn3C[C@H](OCC3CC3)C2)c(C)o1	ZINC22_247845817	329.394	SJDPYWQRNHZLAC-MRXNPFEDSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058890
Cc1cc(C(=O)N2CCCn3nc([C@@H](O)C4CC4)cc3C2)c(C)o1	ZINC22_223576299,PC-id_100274312	329.394	HFPZSKXSTDMELH-KRWDZBQOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058891
Cc1cc(C(=O)N2CCCn3nc([C@H](O)C4CC4)cc3C2)c(C)o1	ZINC22_223576358,PC-id_100274321	329.394	HFPZSKXSTDMELH-QGZVFWFLSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058892
CC1CN(CCCOc2ccc3c(c2)OCO3)Cc2c(C1)[nH]nc2	EMOLS-id_319987233,MCULE-9377301000	329.394	AWBBQJUEVHGKRX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058893
Cc1occc1C(=O)N1Cc2ccnn2CCC1COCC1CC1	EMOLS-id_313819939	329.394	PSSSSIVEUSKRCZ-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058894
Cc1occc1C(=O)N1Cc2ccnn2CC[C@H]1COCC1CC1	ZINC22_585097786	329.394	PSSSSIVEUSKRCZ-INIZCTEOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058895
Cc1occc1C(=O)N1Cc2ccnn2CC[C@@H]1COCC1CC1	ZINC22_585097787	329.394	PSSSSIVEUSKRCZ-MRXNPFEDSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058896
CCc1ccccc1OCc1nnc2n1CCC(CC2)C(=O)OC	PC-id_136557172,EMOLS-id_316952897,MCULE-7913231389	329.394	FOSYUCPTFPFYEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058897
CCc1ccccc1OCc1nnc2n1CC[C@@H](C(=O)OC)CC2	ZINC22_601043607	329.394	FOSYUCPTFPFYEF-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058898
CCc1ccccc1OCc1nnc2n1CC[C@H](C(=O)OC)CC2	ZINC22_601043608	329.394	FOSYUCPTFPFYEF-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058899
CCC1N(CCCn2ccnc12)C(=O)c1cccc(OC)c1OC	EMOLS-id_55717328,MCULE-7227468639	329.394	UUSGKKZFLZCXKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058900
CC(C)Oc1cc(CNC(=O)N2CCCc3occc3C2)ccn1	ZINC22_291068212,EMOLS-id_316854255,MCULE-4418140286	329.394	QIYVHQCCNMLIQU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-058901
CC(O)c1cc2CN(CCCn2n1)C(=O)COCc1ccccc1	PC-id_91785015,MCULE-6231203901,EMOLS-id_55674377	329.394	LIWFKZWFRPARLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058902
CCOc1ccc(cc1)OCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319330392	329.394	MYYYETZWFFPXLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058903
CCOc1ccc(cc1OC)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319952890,MCULE-1668784945	329.394	MPHKIEWEXVKHTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058904
CCOCC1CCn2nccc2CN1C(=O)c1ccc(OC)cc1	EMOLS-id_313822755	329.394	AZPFGCFRHYJBBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058905
CCOCC1CN(Cc2ccc3OCOc3c2)Cc2ccnn2C1	EMOLS-id_44326845	329.394	DQHOBZLLLZTGJQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058906
CCOCC1CN(Cc2ccc3OCOc3c2)Cc2cncn2C1	EMOLS-id_49229379	329.394	PPHLLIOUAPFUNY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058907
CCOCC1CN(Cc2ccc3OCOc3c2)Cc2nccn2C1	PC-id_118739515,EMOLS-id_46160429	329.394	TWUJBFZQSHXFBJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058908
CCOC[C@@H]1CCn2nccc2CN1C(=O)c1ccc(OC)cc1	ZINC22_585096714	329.394	AZPFGCFRHYJBBH-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058909
CCOC[C@H]1CCn2nccc2CN1C(=O)c1ccc(OC)cc1	ZINC22_585096715	329.394	AZPFGCFRHYJBBH-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058910
CCOC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_96188930,PC-id_97463351	329.394	DQHOBZLLLZTGJQ-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058911
CCOC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_96188931,PC-id_97463352	329.394	DQHOBZLLLZTGJQ-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058912
CCOC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn2C1	PC-id_97475077,ZINC22_96206921	329.394	PPHLLIOUAPFUNY-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058913
CCOC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn2C1	ZINC22_96206922,PC-id_97475078	329.394	PPHLLIOUAPFUNY-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058914
CCOC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2nccn2C1	PC-id_97389149,ZINC22_96066810	329.394	TWUJBFZQSHXFBJ-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058915
CCOC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2nccn2C1	ZINC22_96066811,PC-id_97389150	329.394	TWUJBFZQSHXFBJ-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-058916
CCOCC(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_575404896	329.394	PLYBNSWKZHZVGO-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058917
CCOCC(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_575404899	329.394	PLYBNSWKZHZVGO-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058918
CCOCC(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_575403502	329.394	FXDANXSDSYXXLN-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058919
CCOCC(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_575403503	329.394	FXDANXSDSYXXLN-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058920
CCOCC(=O)N1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_55751355	329.394	PLYBNSWKZHZVGO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058921
CCOCC(=O)N1CC(Cn2cccc2C1)OCc1ccncc1	EMOLS-id_55751251	329.394	FXDANXSDSYXXLN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058922
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1cc(C)oc1C	EMOLS-id_313814816	329.394	RQTHYYKXXWQIHI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-058923
CNC(=O)C[C@@H]1CN(C(=O)c2cc(C)oc2C)Cc2cccn2C1	ZINC22_585099183	329.394	RQTHYYKXXWQIHI-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-058924
CNC(=O)C[C@H]1CN(C(=O)c2cc(C)oc2C)Cc2cccn2C1	ZINC22_585099184	329.394	RQTHYYKXXWQIHI-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-058925
CNC(=O)ONC(=O)Cc1ccc2-c(cc1)c(c(c2CC)N)CC	PC-id_141009977	329.394	RSAUUQNOKJQCMJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-058926
COc1ccc(cc1)CC(=O)N1CCCc2c(C1)n(C)nc2OC	PC-id_97515521	329.394	IQNRVLLOADSOOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058927
COc1cccc(c1C)C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_100015665	329.394	HPMWBBOEVHYEOF-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058928
COc1cccc(c1C)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_100015668	329.394	HPMWBBOEVHYEOF-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058929
COc1ccccc1CC(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99973377	329.394	IGIOLNFONLRAKG-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058930
COc1ccccc1CC(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99973378	329.394	IGIOLNFONLRAKG-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058931
COc1ccccc1CC(=O)N1CCCn2nc(cc2C1)C(C)O	EMOLS-id_55628284,MCULE-3865579547,PC-id_91769017	329.394	IGIOLNFONLRAKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058932
COc1cccc(c1)COCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319539506	329.394	LSCAXHGVVJRNNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058933
COc1cc(ccc1OC)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318812013	329.394	GCFZQICDDQPMLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058934
COc1cccc(c1)OCCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319659081	329.394	QDQHQOXKNVFHMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058935
COc1cccc(c1)OCCn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_316453910,MCULE-8672717983	329.394	VOIQLOYPWMDIDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058936
COc1ccccc1O[C@@H](C)C(=O)N1CCCc2c(cnn2C)C1	PC-id_92551271,ZINC22_19079032	329.394	LBSPOHWGEAFLHT-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058937
COc1ccccc1O[C@H](C)C(=O)N1CCCc2c(cnn2C)C1	PC-id_92551272,ZINC22_19079036	329.394	LBSPOHWGEAFLHT-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058938
COc1ccc(Cc2nc3c([nH]2)CC(C)(C)CNC3=O)c(OC)c1	PC-id_72842559,ZINC22_95354161,EMOLS-id_46601942,MCULE-5900432411	329.394	SFAJAMJLQCAQDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058939
COc1ccc(CC(=O)N2CCCc3c(C2)c(=O)n(C)n3C)cc1	ZINC22_96201047,PC-id_97471111,EMOLS-id_44335425	329.394	SMXAHTMHQWKEDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058940
COc1ccc(OCCNC(=O)c2c3c(CCCCC3)[nH]n2)cc1	EMOLS-id_323252403,MCULE-6740125024	329.394	IZXWMSMHKSUFSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058941
COc1cc(OC)ccc1CN1C(=O)C(C)CCn2c1cc(n2)C	SCHEMBL19658838	329.394	BYPGVUOVMAVJEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058942
COc1c(OC)ccc(c1C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319062772	329.394	DFZSIPPJFQDVLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058943
COCC1CCn2nccc2CN1C(=O)COc1ccccc1C	EMOLS-id_313820452	329.394	RMOPDIMBRLYXKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058944
COCC1CCn2nccc2CN1C(=O)COc1ccc(C)cc1	EMOLS-id_313820196	329.394	PJEQCEVQJQATFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058945
COCC1CN(Cc2cncn2C1)C(=O)COc1ccccc1C	EMOLS-id_49231425	329.394	DQKCKAUUCSMVFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058946
COCCC1CN(Cc2cccn2C1)C(=O)c1cccnc1OC	EMOLS-id_313838631	329.394	ZGRBXNJZZSFYBL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058947
COCCC1CN(Cc2cccn2C1)C(=O)c1cc(on1)C1CC1	EMOLS-id_313837862	329.394	JZWLHIPJBISDMP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-058948
COCC[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2cccn2C1	ZINC22_585095253	329.394	JZWLHIPJBISDMP-CYBMUJFWSA-N	00100000100000000101100000000010000000000000000000000000	31-01-058949
COCC[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2cccn2C1	ZINC22_585095254	329.394	JZWLHIPJBISDMP-ZDUSSCGKSA-N	00100000100000000101100000000010000000000000000000000000	31-01-058950
COCC[C@@H]1CN(C(=O)c2cccnc2OC)Cc2cccn2C1	ZINC22_585095587	329.394	ZGRBXNJZZSFYBL-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058951
COCC[C@H]1CN(C(=O)c2cccnc2OC)Cc2cccn2C1	ZINC22_585095588	329.394	ZGRBXNJZZSFYBL-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058952
COC[C@@H]1CCn2nccc2CN1C(=O)COc1ccccc1C	ZINC22_585097830	329.394	RMOPDIMBRLYXKP-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058953
COC[C@H]1CCn2nccc2CN1C(=O)COc1ccccc1C	ZINC22_585097831	329.394	RMOPDIMBRLYXKP-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058954
COC[C@@H]1CCn2nccc2CN1C(=O)COc1ccc(C)cc1	ZINC22_585097681	329.394	PJEQCEVQJQATFM-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058955
COC[C@H]1CCn2nccc2CN1C(=O)COc1ccc(C)cc1	ZINC22_585097682	329.394	PJEQCEVQJQATFM-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058956
COC[C@@H]1CN(C(=O)COc2ccccc2C)Cc2cncn2C1	PC-id_97476404,ZINC22_96208277	329.394	DQKCKAUUCSMVFW-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058957
COC[C@H]1CN(C(=O)COc2ccccc2C)Cc2cncn2C1	ZINC22_96208278,PC-id_97476405	329.394	DQKCKAUUCSMVFW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058958
COCCOc1cccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319607444	329.394	KWHPKZMOECYMDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058959
COCCOc1ccccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-6946726011,EMOLS-id_320326729	329.394	JXWYHEKTSNZUGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058960
COCC(=O)N1Cc2cccn2C[C@H](OCc2cccc(C)n2)C1	ZINC22_575404086	329.394	LJDVZLADUCQAJO-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058961
COCC(=O)N1Cc2cccn2C[C@@H](OCc2cccc(C)n2)C1	ZINC22_575404093	329.394	LJDVZLADUCQAJO-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058962
COCC(=O)N1CC(Cn2cccc2C1)OCc1cccc(C)n1	EMOLS-id_55750473	329.394	LJDVZLADUCQAJO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058963
COC(=O)c1cc2n(n1)CCCN([C@@H](C)Cc1ccc(O)cc1)C2	PC-id_95147592,ZINC22_65528348	329.394	QUZPSLFLVCQACQ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058964
COC(=O)c1cc2n(n1)CCCN([C@H](C)Cc1ccc(O)cc1)C2	PC-id_95147593,ZINC22_65528350	329.394	QUZPSLFLVCQACQ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058965
COC(=O)C1CCc2n(CC1)c(nn2)COc1cc(C)ccc1C	MCULE-9481573806,EMOLS-id_313164612	329.394	PXXXTLATBHFSSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058966
COC(=O)c1ccc(cc1)COC1CCCCCc2c1nnn2C	SCHEMBL16984259,PC-id_118287913	329.394	RUZYOIUDJHADBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058967
COC(=O)C1CCn2c(CC1)nnc2CCc1ccc(cc1)OC	MCULE-5029331875,EMOLS-id_313164355	329.394	XDBOMPVAVMPTJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058968
COC(=O)[C@H]1CCc2nnc(CCc3ccc(OC)cc3)n2CC1	ZINC22_601045380	329.394	XDBOMPVAVMPTJJ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058969
COC(=O)[C@@H]1CCc2nnc(CCc3ccc(OC)cc3)n2CC1	ZINC22_601045381	329.394	XDBOMPVAVMPTJJ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058970
COC(=O)[C@H]1CCc2nnc(COc3cc(C)ccc3C)n2CC1	ZINC22_601044447	329.394	PXXXTLATBHFSSD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058971
COC(=O)[C@@H]1CCc2nnc(COc3cc(C)ccc3C)n2CC1	ZINC22_601044448	329.394	PXXXTLATBHFSSD-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058972
COC(=O)[C@H]1CCc2nnc(COc3ccc(C)c(C)c3)n2CC1	ZINC22_601043477	329.394	BCVHKAXUFDKRJR-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058973
COC(=O)[C@@H]1CCc2nnc(COc3ccc(C)c(C)c3)n2CC1	ZINC22_601043478	329.394	BCVHKAXUFDKRJR-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058974
COC(=O)[C@H]1CCc2nnc(COc3cc(C)cc(C)c3)n2CC1	ZINC22_601043742	329.394	IFOWXEBSJPYVKJ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058975
COC(=O)[C@@H]1CCc2nnc(COc3cc(C)cc(C)c3)n2CC1	ZINC22_601043744	329.394	IFOWXEBSJPYVKJ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058976
OCc1cc(CCNC(=O)c2cnc3n2CCCCC3)ccc1O	EMOLS-id_319533263	329.394	KFKCKVZJHJMDCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058977
OCc1cc(CCNC(=O)c2n[nH]c3c2CCCCC3)ccc1O	EMOLS-id_319050262	329.394	PSHQVIIYBUGIGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058978
O=C(c1coc2c1C(O)CCC2)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319741822	329.394	RQRBEURLXYFMHR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-058979
O=C(CC1CC1)N1CCCn2cnc(COCc3ccco3)c2C1	EMOLS-id_44371520,ZINC22_96259995,PC-id_97520075	329.394	IFXDNZFKRQSWQA-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058980
O=C(Cc1ccco1)N1Cc2cncn2C[C@@H](COCC2CC2)C1	PC-id_97485989,ZINC22_96219002	329.394	XFZYYRJTRSDVFN-HNNXBMFYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058981
O=C(Cc1ccco1)N1Cc2cncn2C[C@H](COCC2CC2)C1	ZINC22_96219000,PC-id_97485987	329.394	XFZYYRJTRSDVFN-OAHLLOKOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058982
O=C(Cc1ccco1)N1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49237521	329.394	XFZYYRJTRSDVFN-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-058983
O=C(CC1CN(Cc2ccco2)Cc2cccn2C1)N1CCCO1	EMOLS-id_313732785	329.394	ZFDUTJFLSTWPKX-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058984
O=C(C[C@H]1CN(Cc2ccco2)Cc2cccn2C1)N1CCCO1	ZINC22_585099259	329.394	ZFDUTJFLSTWPKX-HNNXBMFYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058985
O=C(C[C@@H]1CN(Cc2ccco2)Cc2cccn2C1)N1CCCO1	ZINC22_585099260	329.394	ZFDUTJFLSTWPKX-OAHLLOKOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-058986
OCCCN1CCCC(=O)c2c1nn(c2)Cc1ccc(cc1)OC	PC-id_117701630,SCHEMBL16242764	329.394	UZCCLEYZSWZJMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058987
O=C(Cn1nc2n(c1=O)CCCCC2)Oc1ccccc1C(C)C	PC-id_86925316	329.394	FDYBSKCSFNEOGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058988
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Cc1ccc(c(c1)O)O	EMOLS-id_318775231	329.394	NGEGDRDWHLUQIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058989
O=C(N1CCCn2c(C1)cc(n2)[C@H](O)C)COCc1ccccc1	PC-id_99981748	329.394	LIWFKZWFRPARLR-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058990
O=C(N1CCCn2c(C1)cc(n2)[C@@H](O)C)COCc1ccccc1	PC-id_99981752	329.394	LIWFKZWFRPARLR-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-058991
O=C(N1CCOCC1c1cccn1C)c1noc2c1CCCCC2	EMOLS-id_111936016	329.394	AYZWXVDFLUENQG-UHFFFAOYSA-N	00000000110010000101100000000010000000000000000000000000	31-01-058992
COC1=CCC=c2c(=C1)[nH]c(c2C#N)C#Cc1ccc(cc1)N(C)C	PC-id_143185136	329.395	QISLYKITRPMCPB-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-058993
O=C1N(CCc2c(/C/1=C/c1ccccc1)nc[nH]2)Cc1ccccc1	PC-id_145973700	329.395	AICWUISKHGHLRZ-AQTBWJFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-058994
c12CN(CCCn1nc(C#N)c2)C(=O)C1CC(=O)N(CC(C)C)C1	MCULE-1167465755,PC-id_50964710,EMOLS-id_32399542	329.397	LQSCJTGYMIFDEX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-058995
c12CN(CCCn1nc(CO)c2)C(=O)CN(C)Cc1cccnc1	MCULE-2554893018,EMOLS-id_55669781,PC-id_91783441	329.397	DLDYCMBAWHALNX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058996
c1(cn2c(CCNCC2)n1)C(=O)N(C)C(COC)c1ccccn1	MCULE-2206628454,EMOLS-id_330496311	329.397	ZBOKGACUABGSLY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-058997
C1(Cn2ccnc2)(CC1)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	PC-id_91784872,EMOLS-id_55673969,MCULE-9363246432	329.397	SJICWFARHATJMY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-058998
c1(CN(C)C(=O)CCc2ccc(=O)[nH]n2)c2CCCCCc2[nH]n1	MCULE-1469205274,PC-id_118776670,ZINC22_299776720,EMOLS-id_68903498	329.397	DGFLWGMVSCDVNL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-058999
c1(C(O)C2CCC2)cc2n(CCCN(C(=O)Cn3ccnc3)C2)n1	PC-id_90652924,EMOLS-id_50546383,MCULE-5769975825	329.397	CXPAGLGWJQNBDS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059000
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)C3CCC3)C2)n1	EMOLS-id_55602722,MCULE-3293927281,PC-id_91759983	329.397	YPSJHBZIEHUMSQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059001
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)n[nH]c2CCOCc12	EMOLS-id_55687853,MCULE-3275019068,ZINC22_244678411,PC-id_91840686	329.397	ICEHSYCSZVBSTA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059002
c1(C(=O)N)ccc([nH]c1=O)CN(C)Cc1c2CCCCCc2[nH]n1	MCULE-9291455693,EMOLS-id_43584937,PC-id_70754315,ZINC22_77439810	329.397	UPBIXSCKYHZHNE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059003
c1(C(=O)NC(COC)c2ccccn2)cc2n(CCCN(C)C2)n1	EMOLS-id_32424260,MCULE-5832716060,PC-id_50977807	329.397	VRBMETPJWBRVME-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059004
c1([nH]nc(C2CC2)c1)C(=O)N1CCCn2c(cc(n2)C(CC)O)C1	MCULE-2864083675,EMOLS-id_55626362,PC-id_91768366	329.397	DLUVETCMJAZBQS-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-059005
CC1CC1c1ccc(o1)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320219270,MCULE-8878532106	329.397	NWTKBSVZJOCAMM-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-059006
Cc1cccc(c1)COC(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_319083570	329.397	NGNZSMZCPAHHNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059007
Cc1ccccc1OCCN(C)C(=O)[C@H]1CCc2nnnn2CC1	ZINC22_568012186	329.397	LIYSZTGLUUBNNC-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059008
Cc1ccccc1OCCN(C)C(=O)[C@@H]1CCc2nnnn2CC1	ZINC22_568012187	329.397	LIYSZTGLUUBNNC-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059009
Cc1ccc(cc1)OCCNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320212547,MCULE-7622490008	329.397	RZXFFSSDWJXZQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059010
Cc1ccc(CN2CCc3nnc(CN4CCCC4=O)n3CC2)o1	CHEMBL3554907,ZINC22_96058968,PC-id_97381624,EMOLS-id_46148233	329.397	LCKAECWAJQBXCW-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-059011
Cc1ccc(CNCCc2nnc3n2CCCCC3)cc1[N+](=O)[O-]	MCULE-7042719099,EMOLS-id_45757550,ZINC22_67698084,PC-id_71879716	329.397	YDPRVXILROWYQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059012
Cc1ccc(CN(C)C(=O)Cn2nc3n(c2=O)CCCCC3)nc1	ZINC22_1875262037	329.397	BABSZZCWFXAGFG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059013
Cc1ccc(o1)[C@H]1CN(C[C@@H]1N)C(=O)c1nnc2n1CCCCC2	PC-id_72895939,MCULE-6805004953,EMOLS-id_46067247	329.397	JCUHJVSXIMEEMU-STQMWFEESA-N	00000010101000000101100000000010000000000000000000000000	31-01-059014
Cc1cc(C(=O)N2CCc3ncc(CN4CCCC4)n3CC2)no1	ZINC22_96196864,CHEMBL3552100,EMOLS-id_44328661,PC-id_97467008	329.397	WOBAEBDQUBHOEP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059015
Cc1ccnn1CC(=O)N1CCCn2c(cc(n2)C(C2CC2)O)C1	PC-id_91783743	329.397	XJSCLAUFVBWHAJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059016
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn(n1)C1CCOCC1	MCULE-1606626024,EMOLS-id_320025471	329.397	ASVRPWKTSXLRIT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059017
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1noc(c1)CN1CCCC1	EMOLS-id_319323784	329.397	DKYPRUYSYJNDED-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059018
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1CCCO[C@H]1c1ncc[nH]1	EMOLS-id_319858181	329.397	CLLMCIHGICTXFB-IIWDCPNDSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059019
Cc1ncoc1C(=O)N1Cc2ccnn2CCC1CN1CCCC1	EMOLS-id_313817899	329.397	MNUHZKJQRHEJJU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059020
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1	ZINC22_585097507	329.397	MNUHZKJQRHEJJU-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059021
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1	ZINC22_585097512	329.397	MNUHZKJQRHEJJU-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059022
Cc1[nH]nc(n1)C1CCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111934231	329.397	YBMOAEZCMIBUAC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059023
CCC(c1nn2CCCN(Cc2c1)C(=O)c1cc(ncc1)NC)O	PC-id_91783364	329.397	TZVUMNJYRJFRKL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059024
CC(C)CN1C[C@H](C(=O)N2CCCn3nc(C#N)cc3C2)CC1=O	ZINC22_65406160,PC-id_95128267	329.397	LQSCJTGYMIFDEX-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059025
CC(C)CN1C[C@@H](C(=O)N2CCCn3nc(C#N)cc3C2)CC1=O	ZINC22_65406161,PC-id_95128268	329.397	LQSCJTGYMIFDEX-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059026
CC(C)(CNC(=O)[C@@H]1CCc2nnnn2CC1)Oc1ccccc1	ZINC22_651345019	329.397	BSYWZLFECIGJNR-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059027
CC(C)(CNC(=O)[C@H]1CCc2nnnn2CC1)Oc1ccccc1	ZINC22_651345020	329.397	BSYWZLFECIGJNR-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059028
CC(C)COCC1CN(Cc2cncn2C1)C(=O)c1ncccn1	EMOLS-id_49235471	329.397	PIPWNFDJUNWRRL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059029
CC(C)COC[C@H]1CN(C(=O)c2ncccn2)Cc2cncn2C1	PC-id_97483756,ZINC22_96216697	329.397	PIPWNFDJUNWRRL-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059030
CC(C)COC[C@@H]1CN(C(=O)c2ncccn2)Cc2cncn2C1	ZINC22_96216699,PC-id_97483758	329.397	PIPWNFDJUNWRRL-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059031
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccnc(c1)NC)O	PC-id_99979698	329.397	TZVUMNJYRJFRKL-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059032
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccnc(c1)NC)O	PC-id_99979701	329.397	TZVUMNJYRJFRKL-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059033
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1n[nH]c(c1)C1CC1)O	PC-id_99973309	329.397	DLUVETCMJAZBQS-MRXNPFEDSA-N	00100000100000000101100000000010000000000000000000000000	31-01-059034
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1n[nH]c(c1)C1CC1)O	PC-id_99973310	329.397	DLUVETCMJAZBQS-INIZCTEOSA-N	00100000100000000101100000000010000000000000000000000000	31-01-059035
CC(C)NC(=O)N1Cc2nccn2C[C@H](COc2cccnc2)C1	ZINC22_96188052,PC-id_97462498	329.397	HVFHVIJJRJRKFC-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059036
CC(C)NC(=O)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	ZINC22_96188054,PC-id_97462500	329.397	HVFHVIJJRJRKFC-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059037
CC(C)NC(=O)N1CC(COc2cccnc2)Cn2ccnc2C1	EMOLS-id_44326013,PC-id_118743312	329.397	HVFHVIJJRJRKFC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059038
CC(C)Oc1cccc(C(=O)NCc2nnc3n2CCCCC3)n1	MCULE-8731475475,EMOLS-id_313146384,ZINC22_168823679	329.397	DIASLQZLARPKOD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059039
CCCOc1cccc(NC(=O)N2CCCn3nc(N)cc3C2)c1	PC-id_136560677,EMOLS-id_316973169,ZINC22_1365479439,MCULE-3233426095	329.397	HNXMMPCBWQJBSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059040
CC(C)Oc1ccc(C(=O)NCc2nnc3n2CCCCC3)cn1	ZINC22_42848517,MCULE-4110316425,PC-id_45819476,EMOLS-id_31937720	329.397	HFDIAHUCZGPASE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059041
CCCOc1ncccc1CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319699631	329.397	BZVHYPFGTCEVBD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059042
CC(C)OC(=O)c1cccnc1NCc1nnc2n1CCCCC2	MCULE-4404727659,EMOLS-id_49352147,ZINC22_97140607,PC-id_75522895	329.397	GLHNPVCVXFIXSK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059043
C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCCc2n[nH]cc2C1	ZINC22_1875314538,MCULE-9030805176,PC-id_146100509,EMOLS-id_324072263	329.397	DEMKELGMYTVSBN-MNOVXSKESA-N	00000000100010000101000000010010000000000000000000000000	31-01-059044
C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCc4c(cnn4C)C3)n[nH]c12	PC-id_146111313,ZINC22_1857529750,MCULE-5714760624,EMOLS-id_323964630	329.397	UCWOVMSCIQJGNG-MNOVXSKESA-N	00000000100010000101000000010010000000000000000000000000	31-01-059045
C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCc4n[nH]cc4C3)nn(C)c12	ZINC22_1875300200,EMOLS-id_324037208,PC-id_146101376,MCULE-4843323727	329.397	QVUGAPHFTUCTKP-MNOVXSKESA-N	00000000100010000101000000010010000000000000000000000000	31-01-059046
C[C@H](NC(=O)N(C)Cc1nnc2n1CCOCC2)c1ccccc1	EMOLS-id_320330953,MCULE-2497275134,ZINC22_1615554864	329.397	YZMKRJZUHCCQSS-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059047
CCNC(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	MCULE-8504817866,EMOLS-id_207877203	329.397	DMKJSEMGVQSQCN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059048
CCOC1c2c(ncn2Cc2ccc(OC)cc2)N=CN(C)N1C	CHEMBL9436,BindingDB_PC-id_11186522,PC-id_11186522	329.397	FAABVWKXZLJGFF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-059049
CCOc1cc(ccc1C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318871111	329.397	WAENFAFKBPACPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059050
CCOc1cccc(c1)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319619043	329.397	NOLFBQULHVIEKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059051
CCOc1ccc(c(c1)C)NC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-4167434454,EMOLS-id_319971984	329.397	YOOYLCPSMYZNDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059052
CCOc1ccccc1CNC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-6201018780,EMOLS-id_320003919	329.397	RLOIXAPGGFSBGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059053
CC(Oc1ccccc1)CNC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-6514249314,EMOLS-id_320139394	329.397	HIGQIWQQMCFWFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059054
CC(Oc1ccc(cc1)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319815363	329.397	OQCXTPHKHJLGKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059055
CC(Oc1ccc(cn1)CNC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_320305564,MCULE-8855181166	329.397	GGSWHBDJYHGTCM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059056
CC(=O)c1c(C)[nH]c(C(=O)NCc2nnc3n2CCCCC3)c1C	CoCoCo_3865671,EMOLS-id_20081797,MCULE-4065587626,ZINC22_25667464,PC-id_24676657	329.397	JCZYSIRRCHLVAA-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-059057
CC(Oc1nccc(c1)CNC(=O)C1CCn2c(CC1)nnc2)C	MCULE-5032045883,EMOLS-id_320257317	329.397	MKDUVEIJGJWJPZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059058
CCOc1ncccc1C(=O)NCCc1nnc2n1CCCCC2	MCULE-5509707861,PC-id_45863199,ZINC22_40025190,EMOLS-id_29614757,CoCoCo_4472987	329.397	NXNGCIPKSLFKHL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059059
CC(Oc1ncc(cc1NC(=O)C1CCn2c(CC1)nnc2)C)C	MCULE-8473523553,EMOLS-id_319935170	329.397	YFFIPNXGLCYZAH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059060
CCOCc1ccc(cc1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319557036	329.397	GSWPKFMNYNXZRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059061
CCOC(=O)c1ccc(nc1)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_31951079,PC-id_45822020,MCULE-2951372958	329.397	GABLDHGYZKOIKO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059062
Cn1cccc1[C@H]1COCCN1C(=O)[C@H]1CCc2nncn2CC1	ZINC22_1774217390	329.397	AUDZVTWMCPNNIW-DZGCQCFKSA-N	00000000110010000101100000000010000000000000000000000000	31-01-059063
Cn1cccc1[C@@H]1COCCN1C(=O)[C@@H]1CCc2nncn2CC1	ZINC22_1774217391	329.397	AUDZVTWMCPNNIW-HIFRSBDPSA-N	00000000110010000101100000000010000000000000000000000000	31-01-059064
Cn1cccc1[C@H]1COCCN1C(=O)[C@@H]1CCc2nncn2CC1	ZINC22_1774217392	329.397	AUDZVTWMCPNNIW-UKRRQHHQSA-N	00000000110010000101100000000010000000000000000000000000	31-01-059065
Cn1cccc1[C@@H]1COCCN1C(=O)[C@H]1CCc2nncn2CC1	ZINC22_1774217393	329.397	AUDZVTWMCPNNIW-ZFWWWQNUSA-N	00000000110010000101100000000010000000000000000000000000	31-01-059066
Cn1cccc1C(=O)N1CCCn2nnc(COCC3CC3)c2C1	EMOLS-id_46147995,ZINC22_96058849,PC-id_97381506	329.397	YNWSSLVLIHEOOO-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-059067
Cn1ccc(C(=O)N2Cc3cncn3C[C@@H](COCC3CC3)C2)n1	PC-id_97475810,ZINC22_96207683	329.397	UCGJNNOMEPOFSD-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059068
Cn1ccc(C(=O)N2Cc3cncn3C[C@H](COCC3CC3)C2)n1	ZINC22_96207682,PC-id_97475809	329.397	UCGJNNOMEPOFSD-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059069
Cn1cc(cn1)CN1CCc2c(CC1)oc(n2)C(=O)NCC1CC1	PC-id_134807689	329.397	CMVCEYZUKQRKIA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059070
Cn1ccc(n1)C(=O)N1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49230505	329.397	UCGJNNOMEPOFSD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059071
Cn1ncc(c1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111424625	329.397	LJCYQAMOUJYYML-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059072
CN(C)c1ccc(NC(=O)Cn2nc3CCCCCn3c2=O)cc1	SPECS-id_AT-687/NB01937,MCULE-8083861070,EMOLS-id_48461805,PC-id_75526892,ZINC22_78347354	329.397	PDRGHZWXKYCHRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059073
CN(Cc1ccc(O)cc1)C(=O)NCc1nnc2n1CCCCC2	MCULE-8312154012,PC-id_53520723,ZINC22_65626317,EMOLS-id_35717614	329.397	CMKMUFXNNZBHSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059074
CN(CC1CCN(Cc2n1ccn2)Cc1nccc(c1)C(=O)O)C	SCHEMBL17144975,PC-id_118421275	329.397	KSNCXNPZFOVOIB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059075
CN(C)Cc1cnc2CCN(CCn12)C(=O)c1cccn(C)c1=O	ZINC22_1565542200,EMOLS-id_313778637	329.397	IINBZIVOGBNBDS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059076
CN(C)Cc1cnc2CCN(CCn12)C(=O)c1cc(on1)C1CC1	ZINC22_1565543050,EMOLS-id_313778893	329.397	MAYQPXQEUCFKLX-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-059077
CN(C)Cc1cnc2CCN(CCn12)C(=O)Cn1ccccc1=O	EMOLS-id_313782933,ZINC22_1565548158	329.397	UIAIXFYHLPHDGO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059078
CN(C)CC(=O)N1Cc2ccnn2CCC1COc1cccnc1	EMOLS-id_313821474	329.397	JIQSYPUPEZSKOF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059079
CN(C)CC(=O)N1Cc2ccnn2CC[C@H]1COc1cccnc1	ZINC22_585097260	329.397	JIQSYPUPEZSKOF-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059080
CN(C)CC(=O)N1Cc2ccnn2CC[C@@H]1COc1cccnc1	ZINC22_585097264	329.397	JIQSYPUPEZSKOF-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059081
CN(C(=O)C1CCn2c(CC1)nnn2)CCOc1ccccc1C	MCULE-6969553146,EMOLS-id_316878015	329.397	LIYSZTGLUUBNNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059082
CN(C(=O)CC1CCn2c(CC1)nn(c2=O)Cc1cccnc1)C	EMOLS-id_207877191,MCULE-1946872072	329.397	DRJTYJFNDIJGLM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059083
CN(C(=O)CC1CCn2c(CC1)nn(c2=O)C)Cc1cccnc1	EMOLS-id_207877322,MCULE-9782062151	329.397	NRRKFIWGGPUHQY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059084
CN(C(=O)CC1CCn2c(CC1)n[nH]c2=O)CCc1ccccn1	MCULE-8887018356,EMOLS-id_207877182	329.397	WGCSLWJLTZHFQL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059085
COc1ccc(c(c1)C)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318859548	329.397	PESDZIKBNRGXDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059086
COc1ccccc1CCNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319959939,MCULE-1596175663	329.397	WSFJSTYYLOZVCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059087
COc1ccc(cc1)CCNC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-2852137208,EMOLS-id_320038914	329.397	JRTGGKKBDKPCGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059088
COc1ccccc1CN1Cc2ncnn2C[C@@H](C(=O)N(C)C)C1	ZINC22_306136827	329.397	QENNQJFYGVFCHS-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059089
COc1ccccc1CN1Cc2ncnn2C[C@H](C(=O)N(C)C)C1	ZINC22_306136828	329.397	QENNQJFYGVFCHS-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059090
COc1ccccc1CN1CCc2n(CC1)c(nn2)CNC(=O)C	ChEMBL-DNDi_CHEMBL81782960	329.397	GIXHCSKYNZNEAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059091
COc1ccccc1CN1CC(Cn2ncnc2C1)C(=O)N(C)C	EMOLS-id_55746447	329.397	QENNQJFYGVFCHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059092
COc1ccc(cc1)CN1CCn2c(CC1)nnc2CNC(=O)C	ChEMBL-DNDi_CHEMBL98949831,PC-id_42423898	329.397	REJNFFFLDUHYHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059093
COc1cccc(c1)C(NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319304429	329.397	HHILUTTVUKGRHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059094
COc1ccc(cc1CNC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319711890	329.397	WUQHSBAOLHQYQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059095
COc1cc(C)cc(c1C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318873719	329.397	JVLNCGQCIKHQBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059096
COc1cc(C)ccc1CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319074965	329.397	FPBOAWHJPPTEBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059097
COc1c(C)ccc(c1C)NC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-1919602412,EMOLS-id_320222953	329.397	HLFHPYJONGAPIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059098
COc1cccc(CN2Cc3ncnn3C[C@@H](C(=O)N(C)C)C2)c1	ZINC22_306135154	329.397	OJKLUAQWLZALLB-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059099
COc1cccc(CN2Cc3ncnn3C[C@H](C(=O)N(C)C)C2)c1	ZINC22_306135155	329.397	OJKLUAQWLZALLB-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059100
COc1cccc(CN2CC(Cn3ncnc3C2)C(=O)N(C)C)c1	EMOLS-id_55747613	329.397	OJKLUAQWLZALLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059101
COc1cccc(n1)CN1CCc2nn(c(=O)n2CC1)CC1CC1	MCULE-5433257633,EMOLS-id_50585785,PC-id_91922464	329.397	KVILGPQQXIDKPU-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-059102
COc1ccc(CNC(=O)NCc2nnc3n2CCCCC3)cc1	MCULE-4525288430,ZINC22_32801968,EMOLS-id_25668175,PC-id_40034925,CoCoCo_4790764	329.397	VQFDLHMBSBILKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059103
COc1cc(CNC(=O)N2CCCn3c(C2)cc(n3)N)ccc1C	EMOLS-id_319586849	329.397	BQJYERCQWKXAIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059104
COc1ncccc1C(=O)N1Cc2ccnn2CCC1CN(C)C	EMOLS-id_313818156	329.397	GOEOVGHNJPEEFX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059105
COc1ncccc1C(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C	ZINC22_585097011	329.397	GOEOVGHNJPEEFX-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059106
COc1ncccc1C(=O)N1Cc2ccnn2CC[C@H]1CN(C)C	ZINC22_585097014	329.397	GOEOVGHNJPEEFX-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059107
COCc1ccccc1CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319605053	329.397	GXXBUOHFQGPVKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059108
COCc1ccc(cc1)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319984260,MCULE-4258996818	329.397	KFWYDUZGLSEBNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059109
COCc1nnc2CC(C)N(CCn12)C(=O)c1cc(C)nc(C)c1	EMOLS-id_313824807	329.397	QSFRMNVTQZYYIW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059110
COCc1nnc2n1CCN(C(=O)c1cc(C)nc(C)c1)[C@H](C)C2	ZINC22_585098033	329.397	QSFRMNVTQZYYIW-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059111
COCc1nnc2n1CCN(C(=O)c1cc(C)nc(C)c1)[C@@H](C)C2	ZINC22_585098035	329.397	QSFRMNVTQZYYIW-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059112
COCCc1ccccc1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318976806	329.397	RALXEADZVXHRGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059113
COC[C@@H](c1ccccn1)N(C)C(=O)c1cn2c(n1)CCNCC2	ZINC22_1857734658	329.397	ZBOKGACUABGSLY-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059114
COC[C@H](c1ccccn1)N(C)C(=O)c1cn2c(n1)CCNCC2	ZINC22_1857734659	329.397	ZBOKGACUABGSLY-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059115
COC[C@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1ccccn1	PC-id_95140880,ZINC22_65490629	329.397	VRBMETPJWBRVME-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059116
COC[C@@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1ccccn1	ZINC22_65490632,PC-id_95140882	329.397	VRBMETPJWBRVME-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059117
COCCNC(=O)C1CN(Cc2cccnc2)Cc2ccnn2C1	PC-id_118747203,CHEMBL3552701,EMOLS-id_44326651	329.397	IGTACRNPLPXNHU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059118
COCCNC(=O)C1CN(Cc2ccncc2)Cc2ccnn2C1	EMOLS-id_44326653,CHEMBL3552702,PC-id_118747205	329.397	LCXPDBVPXFBMBH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059119
COCCNC(=O)[C@H]1CN(Cc2cccnc2)Cc2ccnn2C1	ZINC22_96188794,PC-id_97463225	329.397	IGTACRNPLPXNHU-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059120
COCCNC(=O)[C@@H]1CN(Cc2cccnc2)Cc2ccnn2C1	ZINC22_96188795,PC-id_97463226	329.397	IGTACRNPLPXNHU-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059121
COCCNC(=O)[C@H]1CN(Cc2ccncc2)Cc2ccnn2C1	ZINC22_96188796,PC-id_97463227	329.397	LCXPDBVPXFBMBH-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059122
COCCNC(=O)[C@@H]1CN(Cc2ccncc2)Cc2ccnn2C1	ZINC22_96188797,PC-id_97463228	329.397	LCXPDBVPXFBMBH-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059123
n1c(CN2CCN(CC2)C(=O)c2ccco2)cc2CNCCCn12	EMOLS-id_43084079,PC-id_56888663,MCULE-7774489406,ZINC22_72135489	329.397	NQUYOICQJOFASM-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-059124
Oc1ccc(cc1)CCCNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319727649	329.397	CRUFLGOMDCEBBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059125
O=c1cccnn1CC1CN(CC2CCOC2)Cc2nccn2C1	EMOLS-id_44326583	329.397	UTYLUWCPPIVAMI-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-059126
O=c1cccnn1C[C@@H]1CN(C[C@H]2CCOC2)Cc2nccn2C1	PC-id_98777659,ZINC22_107210240	329.397	UTYLUWCPPIVAMI-HUUCEWRRSA-N	00000010100000100101000000000010000000000000000000000000	31-01-059127
O=c1cccnn1C[C@H]1CN(C[C@H]2CCOC2)Cc2nccn2C1	PC-id_98777660,ZINC22_107210243	329.397	UTYLUWCPPIVAMI-CABCVRRESA-N	00000010100000100101000000000010000000000000000000000000	31-01-059128
O=c1cccnn1C[C@H]1CN(C[C@@H]2CCOC2)Cc2nccn2C1	ZINC22_96188740	329.397	UTYLUWCPPIVAMI-GJZGRUSLSA-N	00000010100000100101000000000010000000000000000000000000	31-01-059129
O=c1cccnn1C[C@@H]1CN(C[C@@H]2CCOC2)Cc2nccn2C1	ZINC22_96188741	329.397	UTYLUWCPPIVAMI-LSDHHAIUSA-N	00000010100000100101000000000010000000000000000000000000	31-01-059130
O=c1n2CCCCCc2nn1CC(=O)Nc1c(cc(nc1C)C)C	PC-id_78858835	329.397	IXUYXWOQDSCUAR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059131
O=C1N=C(CN(Cc2n[nH]c3c2CCCCC3)C)C=CC1C(=O)N	PC-id_78081734	329.397	MWQIINXTXIMSQR-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-059132
O=c1[nH]c(NC2CCCCC2)nc(=O)c2c1ncn2CC1CCC1	PC-id_28312420,MCULE-9996332638,CoCoCo_1161488,EMOLS-id_232707764	329.397	OOHUVIWAGTWPLU-UHFFFAOYSA-N	00001000100010000111000000000010000000000000000000000000	31-01-059133
O=C(c1c2CCCCn2c(=O)n1C)N1CCCc2c(C1)cnn2C	MCULE-3921892770,EMOLS-id_316965633	329.397	AHVYPDKWFIIGJC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059134
O=C(C1(CC1)Cn1cncc1)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99981574	329.397	SJICWFARHATJMY-CYBMUJFWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059135
O=C(C1(CC1)Cn1cncc1)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99981578	329.397	SJICWFARHATJMY-ZDUSSCGKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059136
OCc1ccccc1CNC(=O)NCc1nnc2n1CCCCC2	PC-id_110911643	329.397	XVGXVNWOWTTYBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059137
OCc1ccc(cc1)NC(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_319809679	329.397	KQGBZSNIYVNRFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059138
O=C(c1ccc[nH]1)N1Cc2nccn2C[C@H](CN2CCOCC2)C1	PC-id_97389332,ZINC22_96067004	329.397	HDMCRKYQBQICEA-AWEZNQCLSA-N	00000000110010000101000000000010000000000000000000000000	31-01-059139
O=C(c1ccc[nH]1)N1Cc2nccn2C[C@@H](CN2CCOCC2)C1	PC-id_97389333,ZINC22_96067005	329.397	HDMCRKYQBQICEA-CQSZACIVSA-N	00000000110010000101000000000010000000000000000000000000	31-01-059140
O=C(c1ccc[nH]1)N1CCc2ncc(CN3CCOCC3)n2CC1	PC-id_97467058,EMOLS-id_44328759,ZINC22_96196914	329.397	JHCPHROPODCEPN-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-059141
O=C(c1ccco1)N1CCCn2c(C1)c(nn2)CN1CCCCC1	PC-id_97519692	329.397	JLOUNUVASAMWMH-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-059142
O=C(c1ccco1)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97519773	329.397	BGBCUCOVXBALEU-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-059143
O=C(c1ccco1)N1CCN(Cc2nnc3n2CCCCC3)CC1	EMOLS-id_31867896,ZINC22_40481310,CoCoCo_4492001,MCULE-3729694303,PC-id_45802685	329.397	XBVNBKWOVCWHTQ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-059144
O=C(C1CCn2c(CC1)nnn2)NCC(Oc1ccccc1)(C)C	MCULE-9631435363,EMOLS-id_316879031	329.397	BSYWZLFECIGJNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059145
O=C(c1cc[nH]c1)N1CCc2ncc(CN3CCOCC3)n2CC1	EMOLS-id_313782677,ZINC22_1565542596	329.397	CUTJIJVCJQBLQL-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-059146
O=C(c1ccoc1)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_46182487,ZINC22_96084730,PC-id_97405553	329.397	HOEFPNHBLMLLQA-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-059147
O=C(c1ccoc1)N1CCN(Cc2nnc3n2CCCCC3)CC1	CoCoCo_4492010,EMOLS-id_31867916,ZINC22_40481326,MCULE-3564975414,PC-id_45802694	329.397	KEKYKOBCJWINEO-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-059148
O=C(c1cnc2n1CCCCC2)N1CCN(CC1)Cc1ncoc1	EMOLS-id_319714557	329.397	NHGOAKUSMLORMW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059149
O=C(c1ncoc1C1CCNCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_319457128	329.397	HVLUUDRJMOHTFP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059150
O=C(c1nn2c(c1)C(O)CCC2)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319868502	329.397	YMKWTUGELYKSOO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059151
O=C(c1n[nH]c2c1CCCCC2)Nc1cnn(c1)C1CCCCO1	EMOLS-id_319048020	329.397	JBXVAZASDNSJCF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059152
O=C(c1noc2c1CCCCC2)N1CCC(CC1)c1nncn1C	EMOLS-id_111825742	329.397	KRMFHAWWDGPRRV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059153
O=C(c1noc2c1CCCCC2)N1CCCC(C1)Cn1ccnn1	EMOLS-id_111879751	329.397	XBUYVESDGOBUIK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059154
O=C(c1noc2c1CCCCC2)N1CCC(CC1)Cn1ccnn1	EMOLS-id_111879823	329.397	OELYMFSSBZIUSJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059155
O=C(c1noc2c1CCCCC2)N1CCC(CC1)Cn1ncnc1	EMOLS-id_111435160	329.397	QUBWQLLRPKWTGQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059156
O=C(c1noc2c1CCCCC2)N1CCN(CC1)c1nccn1C	EMOLS-id_111934285	329.397	NVATWDGBVGCYMG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059157
O=C(c1noc2c1CCCCC2)N1CCN(CC1)Cc1[nH]ccn1	EMOLS-id_100129869	329.397	NMTBRKDBGHJRFP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059158
O=C(c1noc2c1CCCCC2)Nc1c(C)nn(c1N1CCC1)C	EMOLS-id_279019202	329.397	XJLNIGWMTMYNCB-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-059159
O=C(c1noc2c1CCCCC2)NCc1nnc2n1CCCCC2	EMOLS-id_111824506	329.397	AKLHSMOQWDRZQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059160
O=C(c1oc(nc1C)CC1CC1)NCc1nnc2n1CCCCC2	EMOLS-id_100225165	329.397	XEBBAFVPUFJDHW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059161
O=C(Cn1ccnc1)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1	PC-id_100067229,ZINC22_221349564	329.397	CXPAGLGWJQNBDS-KRWDZBQOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059162
O=C(Cn1ccnc1)N1CCCn2nc([C@H](O)C3CCC3)cc2C1	ZINC22_221349504,PC-id_100067228	329.397	CXPAGLGWJQNBDS-QGZVFWFLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059163
OCCN(C(=O)C1CCn2c(CC1)nnn2)Cc1ccc(cc1)C	EMOLS-id_318016844	329.397	PHWLZDWAXLLTNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059164
O(C(CNC(=O)c1nn2CCCN(Cc2c1)C)C)c1cccnc1	PC-id_50972681	329.397	JAGSRCZMPQHERN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059165
OC(CNC(=O)NCc1n2CCCCCc2nn1)c1ccccc1	PC-id_45829844,MCULE-7592747224,EMOLS-id_31996406	329.397	BTFKVCMSTMSNGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059166
OCC(NC(=O)NCc1n2CCCCCc2nn1)c1ccccc1	PC-id_60463373	329.397	NUGHMZMJBWDCJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059167
O=C(N1CCCc2c(C1)cnn2C)c1cnc(o1)C1CCNCC1	EMOLS-id_319748181	329.397	IAGDOAMAMPLXDF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059168
O=C(N1CCCc2c(C1)cnn2C)NCc1noc2c1CCCC2	EMOLS-id_101706182	329.397	BZLYGGAGDTWSLS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059169
O=C(N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O)Cn1nccc1C	PC-id_100098442	329.397	XJSCLAUFVBWHAJ-KRWDZBQOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059170
O=C(N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O)Cn1nccc1C	PC-id_100098448	329.397	XJSCLAUFVBWHAJ-QGZVFWFLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059171
O=C(N1CCCn2c(C1)cc(n2)[C@@H](c1ccnn1C)O)C1CCC1	PC-id_100001950	329.397	YPSJHBZIEHUMSQ-INIZCTEOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059172
O=C(N1CCCn2c(C1)cc(n2)[C@H](c1ccnn1C)O)C1CCC1	PC-id_100001955	329.397	YPSJHBZIEHUMSQ-MRXNPFEDSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059173
O=C(N1CCCn2c(C1)cc(n2)N)NCc1ccc(cc1)C(O)C	EMOLS-id_319850649,MCULE-5736065857	329.397	DIDHUSNCNWYVEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059174
O=C(N1CCCn2c(C1)c(nn2)CN1CCCC1=O)C1CC=CC1	PC-id_97519578	329.397	NQVYGVWSHOLHFC-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-059175
O=C(N1CC(CN2CCOCC2)Cn2ccnc2C1)c1ccc[nH]1	EMOLS-id_46160625	329.397	HDMCRKYQBQICEA-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-059176
O=C(N1CCOCC1c1cccn1C)C1CCn2c(CC1)nnc2	EMOLS-id_324068985,MCULE-1107753097,PC-id_145910099	329.397	AUDZVTWMCPNNIW-UHFFFAOYSA-N	00000000110010000101100000000010000000000000000000000000	31-01-059177
O=C(Nc1ncn(C2CCCCC2)n1)c1noc2c1CCCCC2	MCULE-3507267425,EMOLS-id_111433924,ZINC22_157681590	329.397	MHOVULSGPFIFQS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059178
O=C(N(C(c1ccncc1)C)C)Cn1nc2n(c1=O)CCCCC2	PC-id_86846062	329.397	RSFXVXGWNFJFAC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059179
O=C(NCc1n2CCCCCc2nn1)Nc1ccc(OCC)cc1	PC-id_60447561	329.397	PZMOUMNCMDVJOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059180
O=C(NCc1nnc2n1CCCCC2)N(Cc1ccco1)C1CC1	MCULE-1590879493,EMOLS-id_31998140,ZINC22_44966667,PC-id_45830186	329.397	KTRDRZCGFXGAQH-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-059181
O=C(NCc1nnc2n1CCCCC2)NC[C@@H](O)c1ccccc1	PC-id_94029951,ZINC22_44966329	329.397	BTFKVCMSTMSNGH-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059182
O=C(NCc1nnc2n1CCCCC2)NC[C@H](O)c1ccccc1	ZINC22_44966331,PC-id_94029952	329.397	BTFKVCMSTMSNGH-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059183
O=C(NCCc1n2CCCCCc2nn1)Nc1ccc(OC)cc1	PC-id_51326159	329.397	WIEUBYVJSOFKTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059184
O=C(NCCc1n2CCCCCc2nn1)Nc1c(OC)cccc1	PC-id_16609030	329.397	NLCYDYMCEVUGAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059185
O=C(NCCc1nnc2n1CCCCC2)NOCc1ccccc1	EMOLS-id_44526412,PC-id_71897707,ZINC22_45862828,MCULE-6828740073	329.397	DKCUQZJEJXNOMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059186
COc1ccsc1S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028466	329.399	XAXICQKJECCMHA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-059187
c12C(CCCCn1nnn2)C(=O)NCc1c2CCCCCc2[nH]n1	MCULE-2312301294,EMOLS-id_177495204	329.4	HAGWKSYVQILMMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059188
c12C(CCCCn1nnn2)C(=O)NCC1(CC1)Cn1ccnc1C	PC-id_74235375,EMOLS-id_49649698,MCULE-9655834745	329.4	QHNIIUAQHFGXJD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059189
c12C(CCCCn1nnn2)C(=O)NCCCNc1ccc(cn1)C	EMOLS-id_232875129,MCULE-3204777579	329.4	MGMSGLODVNDIOU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059190
c12CN(CCCn1nc(CNc1cc(C)ncn1)c2)C(=O)N(C)C	EMOLS-id_44431263,MCULE-6842952643,ZINC22_82099836,PC-id_70726969	329.4	JIFRITOHYFHLOJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059191
c1(C(CC(C)C)NC(=O)c2cnccn2)nnc2CCNCCn12	MCULE-9826975066,PC-id_56716655,EMOLS-id_36453639	329.4	DCPOQIPHZOBAPH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059192
c1(cn2c(CCNCC2)n1)C(=O)N1CCCC(C1)c1[nH]nc(C)n1	MCULE-4978107958,EMOLS-id_330475854	329.4	IUPWYDDPBWBWBT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059193
CC1CC(C1)C(=O)N1CCCn2nnc(Cn3nncc3C)c2C1	EMOLS-id_313730266,ZINC22_1565555335	329.4	XLEAMHWJZYYVAR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059194
Cc1ccc(NCCCNC(=O)[C@@H]2CCCCn3nnnc23)nc1	ZINC22_825195324	329.4	MGMSGLODVNDIOU-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059195
Cc1ccc(NCCCNC(=O)[C@H]2CCCCn3nnnc23)nc1	ZINC22_825195336	329.4	MGMSGLODVNDIOU-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059196
CC1CNc2n(C1)ncc2C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_319479638	329.4	BINVSHAWIIGHRC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059197
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCCCC1)n1cnnn1	EMOLS-id_319472529	329.4	WHRDTSFDVXMVIV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059198
Cc1nc([C@@H]2CCCN(C(=O)c3cn4c(n3)CCNCC4)C2)n[nH]1	ZINC22_1857736280	329.4	IUPWYDDPBWBWBT-GFCCVEGCSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059199
Cc1nc([C@H]2CCCN(C(=O)c3cn4c(n3)CCNCC4)C2)n[nH]1	ZINC22_1857736281	329.4	IUPWYDDPBWBWBT-LBPRGKRZSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059200
Cc1nccn1CC1(CNC(=O)[C@@H]2CCCCn3nnnc23)CC1	PC-id_97892461,ZINC22_97468277	329.4	QHNIIUAQHFGXJD-CYBMUJFWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059201
Cc1nccn1CC1(CNC(=O)[C@H]2CCCCn3nnnc23)CC1	PC-id_97892462,ZINC22_97468280	329.4	QHNIIUAQHFGXJD-ZDUSSCGKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059202
Cc1nc(N(C)C)ncc1C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_46618220,ZINC22_95366526,PC-id_72874890,MCULE-5447695634	329.4	YBJNXBXHHOBAQD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059203
Cc1nnc2CCN(CCn12)C(=O)CCc1cc2CNCCn2n1	PC-id_70745407,MCULE-1578861662,ZINC22_72431429,EMOLS-id_43127905	329.4	OJMHASKNEYYVID-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059204
Cc1nn(C)cc1[C@H]1CCCN1C(=O)[C@H]1CCc2nnnn2CC1	ZINC22_651494427	329.4	DNKVWLPIEDQAEB-GXTWGEPZSA-N	00000010100000000101100000000010000000000000000000000000	31-01-059205
Cc1nn(C)cc1[C@@H]1CCCN1C(=O)[C@H]1CCc2nnnn2CC1	ZINC22_651494428	329.4	DNKVWLPIEDQAEB-JSGCOSHPSA-N	00000010100000000101100000000010000000000000000000000000	31-01-059206
Cc1nn(C)cc1[C@@H]1CCCN1C(=O)[C@@H]1CCc2nnnn2CC1	ZINC22_651494429	329.4	DNKVWLPIEDQAEB-OCCSQVGLSA-N	00000010100000000101100000000010000000000000000000000000	31-01-059207
Cc1nn(C)cc1[C@H]1CCCN1C(=O)[C@@H]1CCc2nnnn2CC1	ZINC22_651494430	329.4	DNKVWLPIEDQAEB-TZMCWYRMSA-N	00000010100000000101100000000010000000000000000000000000	31-01-059208
Cc1n[nH]c(c1)C1CCCCN1C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_319646237	329.4	BYIYUJNWQDNZFG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059209
CC(c1cc2n(n1)CCCC2)NC(=O)C1CCn2c(CC1)nnn2	MCULE-8104937251,EMOLS-id_258121839	329.4	BUYGMNKWWCIAIL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059210
CC(C)c1nnc2CCN(CCn12)C(=O)C1NCCc2[nH]cnc12	PC-id_70769415,MCULE-2551014405,EMOLS-id_43159042	329.4	BAWSUGUWYATNNF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059211
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccnc(n1)C	EMOLS-id_100472711	329.4	FTVRKTOBNNMCTF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059212
CC(C)c1nnc2n1CCN(C(=O)[C@@H]1NCCc3[nH]cnc13)CC2	PC-id_95893846,ZINC22_72473309	329.4	BAWSUGUWYATNNF-CQSZACIVSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059213
CC(C)c1nnc2n1CCN(C(=O)[C@H]1NCCc3[nH]cnc13)CC2	ZINC22_72473308,PC-id_95893845	329.4	BAWSUGUWYATNNF-AWEZNQCLSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059214
CC(C)C[C@@H](NC(=O)c1cnccn1)c1nnc2n1CCNCC2	PC-id_95215181,ZINC22_67821624	329.4	DCPOQIPHZOBAPH-GFCCVEGCSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059215
CC(C)C[C@H](NC(=O)c1cnccn1)c1nnc2n1CCNCC2	ZINC22_67821623,PC-id_95215180	329.4	DCPOQIPHZOBAPH-LBPRGKRZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059216
CCC(N(C(=O)NC1CCn2c(CC1)nnn2)C)c1ccncc1	EMOLS-id_318832564	329.4	QCJYBDWTCWRDPA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059217
CCn1nc(cc1C1CC1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319790278	329.4	YTHWHBSUARLGEF-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-059218
CC(Nc1nnccc1C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_319404124	329.4	PLNYLSYDPVLWMD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059219
Cn1cc(c(n1)C)C1CCCN1C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_324057388,PC-id_145898253,MCULE-1760529550	329.4	DNKVWLPIEDQAEB-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-059220
Cn1cnc(C(=O)N2CCc3ncc(CN4CCCC4)n3CC2)n1	ZINC22_1565556156,EMOLS-id_313778636	329.4	ORNQABNSPOFDPY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059221
Cn1ncc(c1)N1CCN(CC1=O)Cc1nnc2n1CCCCC2	EMOLS-id_111714515	329.4	LRKJEXULXVIRLF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059222
CNc1nc(C)cc(C(=O)NCCc2nnc3n2CCCCC3)n1	MCULE-5600750416,PC-id_121545385,EMOLS-id_75971939,ZINC22_280821593	329.4	SFVZREGCIHOLDH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059223
CN(Cc1ccnc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319483933	329.4	MKBZODPWQBNLSY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059224
CN(C)Cc1nnn2c1CN(C(=O)CCc1cncnc1)CCC2	ZINC22_1565543320,EMOLS-id_313729500	329.4	WCCHKAHQWCHMPE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059225
CN(C)CC(=O)N1CCCn2cnc(CNc3ncccn3)c2C1	ZINC22_96259426,EMOLS-id_44370404,PC-id_97519510	329.4	ZMGBWQQAQIZSEV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059226
CN(C(=O)Nc1ccnn1C1CC1)Cc1nnc2n1CCCCC2	EMOLS-id_319460324	329.4	ZPEWGMNITMVUJU-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-059227
n1c(CN2CCN(CC2)c2cn[nH]c(=O)c2)cc2CNCCCn12	EMOLS-id_43175213,ZINC22_72169663,PC-id_56915353,MCULE-1767645007	329.4	VVTUUFGODRCCLC-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-059228
O=C1CCCN1Cc1nnn2c1CN(CCC2)Cc1cncn1C	PC-id_97405516	329.4	PBNFCCIQKFJVJT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059229
O=c1n(CN2CCN(c3cnccn3)CC2)nc2n1CCCCC2	CoCoCo_4599853,EMOLS-id_16664624,CoCoCo_4599852,PC-id_17495202,ZINC22_12944023,MCULE-1423512350	329.4	ACDNOUAVNJQACM-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-059230
O=C(C1CCn2c(CC1)nnn2)N1CCC(CC1)Cc1[nH]ncc1	MCULE-6377401753,EMOLS-id_319831531	329.4	RQIKUUJRPQACRP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059231
O=C(C1CCn2c(CC1)nnn2)NC(C(C)(C)C)c1ncccn1	EMOLS-id_318814112	329.4	NLBXDENGIKJGCZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059232
O=C(c1cc[nH]n1)N1CCCn2nnc(CN3CCCCC3)c2C1	ZINC22_1565544769,EMOLS-id_313730008	329.4	QQKDKHXCACQUGT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059233
O=C(c1cc[nH]n1)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_45046408,PC-id_53522090,EMOLS-id_36273289,MCULE-8697805460,GD-id_ZINC45046408	329.4	LFSXADGVWVHUPR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059234
O=C(c1cc(n(n1)C(C1CC1)C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102180948	329.4	IHXJNYYNAFQNOX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059235
O=C(c1ccn[nH]1)N1CCc2n(CC1)c(nn2)CN1CCCCC1	PC-id_97405804	329.4	TWAXVAFWOCTOOI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059236
O=C(c1cnc2n1CCCCC2)N1CCC(CC1)Cc1[nH]nnn1	EMOLS-id_319433544	329.4	HAFQBEDJOLXZGH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059237
O=C(c1cnc[nH]1)N1CCCn2c(C1)nnc2CNC1CCCC1	PC-id_97405594	329.4	ONGVUUQDGRMVIR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059238
O=C(c1c[nH]cn1)N1CCCn2c(CN3CCCCC3)nnc2C1	CHEMBL3551809,PC-id_97519775,ZINC22_96259693,EMOLS-id_44370932	329.4	NWRVFWKPTPJUPD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059239
O=C(c1cnn(c1)CC1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_320012822,MCULE-8534728800	329.4	PSNYIPVGMOUBGY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059240
O=C([C@@H]1CCc2nnnn2CC1)N1CCC(Cc2cc[nH]n2)CC1	ZINC22_1875295820	329.4	RQIKUUJRPQACRP-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059241
O=C([C@H]1CCc2nnnn2CC1)N1CCC(Cc2cc[nH]n2)CC1	ZINC22_1875295821	329.4	RQIKUUJRPQACRP-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059242
O=C(N1CCCc2c1c[nH]n2)NCCc1nnc2n1CCCCC2	EMOLS-id_316551632	329.4	BZERYCDDPTXHRM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059243
O=C(N1CCCn2c(C1)cc(n2)N)NC1CCCc2c1cnn2C	MCULE-1152903042,EMOLS-id_320272048	329.4	IEHSLGVGECSJPN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059244
O=C(N1CCCn2c(C1)cc(n2)N)Nc1c(C)cnn1CC1CC1	EMOLS-id_318940779	329.4	PJHFFFKPPGOTTK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059245
O=C(N1CCCn2c(C1)cc(n2)N)Nc1cnn(c1)C1CCCC1	EMOLS-id_319652848	329.4	HNFNVFJPJXSQQP-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-059246
O=C(N1CCCn2c(C1)cc(n2)N)Nc1cnn(c1)C(C1CC1)C	EMOLS-id_320276336,MCULE-9287880463	329.4	WIWXZWZXTVXHDG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059247
O=C(N1CCCn2c(C1)cc(n2)N)Nc1n(C)nc2c1CCCC2	EMOLS-id_320077961,MCULE-6343517393	329.4	GMRPSPJMEGFSGI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059248
O=C(N1CCCn2c(C1)cc(n2)N)NCc1cccc(n1)N(C)C	EMOLS-id_318894393	329.4	PEPSGQZLLYTQCZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059249
O=C(N1CCCn2c(C1)cc(n2)N)NCc1ccc(nc1)N(C)C	MCULE-1470609796,EMOLS-id_320043064	329.4	ZEOUMODOBWXRGE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059250
O=C(NC1CCc2c(C1)nc[nH]2)NCc1nnc2n1CCCCC2	EMOLS-id_99626490	329.4	JVXRNMNYKIRXHY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059251
O=C(NC1CCc2c(C1)[nH]nc2)NCc1nnc2n1CCCCC2	EMOLS-id_99885893	329.4	OWABATMJKOAYMS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059252
O=C(NC(c1ccc(nc1)C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102167119	329.4	VKGGLVQSHXKLEX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059253
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCCCn2nnnc12	ZINC22_584902046	329.4	HAGWKSYVQILMMR-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059254
O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CCCCn2nnnc12	ZINC22_584902047	329.4	HAGWKSYVQILMMR-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059255
CC1(C)COCC(O1)CS(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_320247892,MCULE-2906551710	329.412	XXTGPYXNIHXELF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059256
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(CCc1cccc(c1)F)C	EMOLS-id_318803095	329.412	RFAKEAPNOYNUFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059257
CCC(C1C(=O)N(CCc2n1cnc2)Cc1cccc(c1)F)(C)C	SCHEMBL3978260,PC-id_57917756	329.412	JBSBOUQACYUMHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059258
CCC(C1C(=O)N(CCc2n1cnc2)Cc1ccc(cc1)F)(C)C	SCHEMBL4251559,PC-id_57917742	329.412	VVRIMJXUFOGLHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059259
CCC(C1C(=O)NCCc2n1cnc2Cc1cccc(c1)F)(C)C	SCHEMBL4514227,PC-id_69074722	329.412	GBEAUXAPSOQZSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059260
Fc1cccc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)c1	PC-id_97463539,ZINC22_96189124	329.412	SLJMVTWWEUYIKT-QGZVFWFLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-059261
Fc1cccc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)c1	ZINC22_96189125,PC-id_97463540	329.412	SLJMVTWWEUYIKT-KRWDZBQOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-059262
Fc1cccc(CN2CC(COCC3CC3)Cn3nccc3C2)c1	EMOLS-id_44327061	329.412	SLJMVTWWEUYIKT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-059263
Fc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)cc1	PC-id_97381674,ZINC22_96059021,EMOLS-id_46148333	329.412	ORTRJCFMZSBQOK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-059264
c1(NC(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)OC	ZINC22_2752664,EMOLS-id_4010978,TIMTEC387757,PC-id_3339730,MCULE-3323023298,CoCoCo_5824086,SPECS-id_AK-968/15252947	329.413	PSEOKJIWIYGVKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059265
Cc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)O)CCCCC2	ChEMBL-DNDi_CHEMBL3261-0821,SCHEMBL918590,PC-id_3644363	329.413	ZTOMHNQMRUBYGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059266
C=CCC1=CCN(Cc2c1occ2)S(=O)(=O)c1ccc(cc1)C	PC-id_102231964	329.413	RJIZBCKMIRMGCQ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-059267
COc1cccc(c1)C(=O)Nc1sc2c(c1C=O)CCCCC2	PC-id_143822297	329.413	PNZJCSBNGJWWKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059268
COC(=O)c1ccc(cc1)C(=O)c1c(N)sc2c1CCCCC2	SCHEMBL4060747,PC-id_68897160	329.413	DPNHLBDZSWVHEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059269
CSc1ccc(C(=O)c2ccc3n2CCCCC3C(=O)O)cc1	CHEMBL9214,PC-id_13487087	329.413	NEVXLKGMJJKGFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059270
NC(=O)c1ccc(COC(=O)c2cc3c(s2)CCCCC3)cc1	PC-id_27325150,EMOLS-id_43999467,ZINC22_16767652,MCULE-7188258067	329.413	HLBURABOPBYGRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059271
NC(=O)c1ccc(OC(=O)c2cc3c(s2)CCCCCC3)cc1	EMOLS-id_43831758,PC-id_33244590,CoCoCo_3285306,ZINC22_25978392,MCULE-4686162276	329.413	FFRMVMFJJCIIKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059272
O=C(c1csc2c1CCCCC2)NCc1ccc2c(c1)OCO2	CoCoCo_2171529,PC-id_20881842	329.413	FGTHHMJQVVDNOX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-059273
O=C(N1CCCc2c(C1)ccs2)c1ccc(cc1)C1(O)COC1	EMOLS-id_319136744	329.413	QRIYMVBEDDZQIN-UHFFFAOYSA-N	00001000100000110100100000000010000000000000000000000000	31-01-059274
O=C(N1CCCc2c(C1)ccs2)CCc1ccc(cc1)C(=O)O	MCULE-4417803631,EMOLS-id_316327392	329.413	TXGQDZOLEOLSLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059275
O=C(N1CCCc2c(C1)ccs2)CCc1ccccc1C(=O)O	MCULE-4818326918,EMOLS-id_318299085	329.413	YOFDDNSVFFJMIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059276
O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CCCCC2	MCULE-8900455726,PC-id_2442275,ZINC22_3326615,EMOLS-id_45712209	329.413	LCGVFRDVDGVJES-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-059277
OC(=O)C(c1ccccc1)CC(=O)N1CCCc2c(C1)ccs2	MCULE-3407689567,EMOLS-id_318336386	329.413	ZJGGSVXNTPHLSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059278
OC(=O)Cc1ccccc1NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_51590572,PC-id_119218345,MCULE-3008875245	329.413	XRVJAQXGQNPWNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059279
OC(=O)Cc1cccc(c1)NC(=O)c1cc2c(s1)CCCCC2	MCULE-5324092559,PC-id_119351609,EMOLS-id_71445696	329.413	DOVVBVXAXIIGOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059280
OC(=O)Cc1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	MCULE-6558594392,EMOLS-id_71438692	329.413	GLISDRGRRRUOHM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059281
OC(=O)CCc1ccccc1C(=O)N1CCCc2c(C1)ccs2	MCULE-1985284871,EMOLS-id_318485198	329.413	PCGFCYFFXQFXSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059282
s1c2CCCCCc2cc1C(=O)Nc1cc(ccc1)C(=O)OC	PC-id_26240735	329.413	LWHSCQMVIUIYMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059283
s1c2CCCCCc2cc1C(=O)Nc1ccc(cc1)C(=O)OC	PC-id_9068792	329.413	DNUUYARSNWGFLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059284
s1c2CCCCCc2cc1C(=O)OC(c1ccccc1)C(=O)N	PC-id_18134808	329.413	DDXSZAHTEYCOEQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059285
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccccc1	PC-id_2664656	329.413	MPSMYROZHXDCKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059286
s1c2CCCCCCc2cc1C(=O)Nc1cc2OCOc2cc1	PC-id_8700877	329.413	PIJYNIZXEUOKCH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-059287
s1c2CCCCCCc2cc1C(=O)Oc1cc(ccc1)C(=O)N	PC-id_52675712	329.413	PIUOXLCKLCMJIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059288
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)CS(=O)(=O)CC)C2	PC-id_100065659,ZINC22_221169434	329.415	FFPIWHCQTSGMKR-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059289
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)CS(=O)(=O)CC)C2	ZINC22_221169485,PC-id_100065660	329.415	FFPIWHCQTSGMKR-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059290
CCC(O)c1cc2CN(CCCn2n1)C(=O)CS(=O)(=O)CC	PC-id_90651089,MCULE-2297701788,EMOLS-id_50539575	329.415	FFPIWHCQTSGMKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059291
CC(C)S(=O)(=O)CC(=O)N1CCCn2nc(cc2C1)C(C)O	PC-id_91790911,MCULE-5774490648,EMOLS-id_55691545	329.415	RQJSIQCENAQRDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059292
C[C@H](c1cc2n(n1)CCCN(C2)C(=O)CS(=O)(=O)C(C)C)O	PC-id_99989847	329.415	RQJSIQCENAQRDJ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059293
C[C@@H](c1cc2n(n1)CCCN(C2)C(=O)CS(=O)(=O)C(C)C)O	PC-id_99989852	329.415	RQJSIQCENAQRDJ-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-059294
COCCN(C)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	MCULE-4365917669,EMOLS-id_317415515	329.415	ICXXFEXGSVFXLU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059295
COCCNC(=O)CC1CN(Cc2cccn2C1)S(=O)(=O)C	EMOLS-id_313730482	329.415	REOMTXFJDSEGEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059296
COCCNC(=O)C[C@H]1CN(S(=O)(=O)C)Cc2cccn2C1	ZINC22_585099169	329.415	REOMTXFJDSEGEY-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059297
COCCNC(=O)C[C@@H]1CN(S(=O)(=O)C)Cc2cccn2C1	ZINC22_585099170	329.415	REOMTXFJDSEGEY-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059298
Fc1cccc(c1)C1CNCCN1Cc1nnc2n1CCCCC2	MCULE-3456408497,EMOLS-id_318032438	329.415	VZTSVHIXIVPROY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-059299
Fc1cccc(c1)[C@@H]1CN(C[C@H]1N)Cc1nnc2n1CCCCC2	MCULE-6299349870,EMOLS-id_320135140	329.415	VGHFXNYUVRQXQZ-JKSUJKDBSA-N	00000010100000110101100000000010000000000000000000000000	31-01-059300
Fc1ccc(cc1)N1CCN(Cc2nnc3CCCCCn23)CC1	EMOLS-id_337704642,ZINC22_299610280	329.415	OCCYUOFQPOTURN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-059301
Fc1cccc(c1NCc1nnc2n1CCCCC2)N1CCCC1	MCULE-6731978736,EMOLS-id_318183505	329.415	SVUZGTXIQMYUDA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-059302
N[C@@H]1CN(C[C@H]1c1ccccc1F)Cc1nnc2n1CCCCC2	EMOLS-id_320145925,MCULE-3646600474	329.415	LJXGFVXVLNEEBF-GOEBONIOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-059303
S(=O)(=O)(N(C/C(=C/C)/C)C)CC1n2c(noc2=O)CCCC1	PC-id_22901457	329.415	HSSFDIKGHOFGOL-NYYWCZLTSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059304
S(=O)(=O)(N(CC(=CC)C)C)CC1n2c(noc2=O)CCCC1	PC-id_59922996	329.415	HSSFDIKGHOFGOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059305
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CCCc1ccccc1	PC-id_90625401	329.417	JFGPDQVXKVDINM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059306
c1(NC(=O)c2c3CCCCCc3on2)sc(c(CC)c1C#N)C	ZINC22_426586,EMOLS-id_15972074,TIMTEC165467,MCULE-9870819335,PC-id_4257440	329.417	GEHVHXJVKKQNGZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-059307
c1(NC(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)NN	TIMTEC392156,CoCoCo_160097,PC-id_780038,MCULE-7566676845,BAS-01041751,EMOLS-id_1300287	329.417	PXDKSXNGZLEAAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059308
c1(NC(=O)c2cccnc2)sc2c(CCCCCC2)c1C(=O)N	ZINC22_369191,MCULE-3333018241,PC-id_840250,TIMTEC465912,SPECS-id_AK-968/37272023,EMOLS-id_2203092,CoCoCo_908840	329.417	TVHSPKQZOLVTJB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-059309
c1(NC(=O)c2c(CC)noc2C)sc2c(CCCCC2)c1C#N	ZINC22_13327684,EMOLS-id_13331571,MCULE-2122556224,TIMTEC365199,PC-id_17174140,CoCoCo_1073871	329.417	OTDISYZKSHWPBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059310
c1(NC(=O)c2ccncc2)sc2c(CCCCCC2)c1C(=O)N	MCULE-8340794461,CHEMBL1575255,EMOLS-id_2305970,Chemmine_11625,PC-id_897174,ZINC22_474793,CoCoCo_899455,ChEMBL-DNDi_CHEMBL1575255,TIMTEC169233	329.417	GIOIXQSPNXJYHT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-059311
c1(NC(=O)c2c(C)noc2C)sc2c(CCCCCC2)c1C#N	ZINC22_16604546,CoCoCo_1073336,EMOLS-id_14094966,TIMTEC124708,PC-id_17249226,MCULE-9269267063	329.417	DKSSWRZYPRHUJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059312
c1(NC(=O)Nc2ccccc2)sc2c(CCCCC2)c1C(=O)N	PC-id_868615,CoCoCo_6804716,ZINC22_433610,TIMTEC262173,EMOLS-id_2095265,MCULE-7741620502	329.417	KIDBIYTUKNUSFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059313
Cc1cc(ccc1)CCC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625518	329.417	BRGKGLQFKBJZBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059314
Cc1cc(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)no1	MCULE-1060634529,PC-id_121584686,EMOLS-id_73031266,ZINC22_172111074	329.417	JQVFNYZBGQFNAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059315
Cc1nc2CN(Cc2c(n1)O)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_316667131	329.417	CTNKOFVHADCDLM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-059316
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccn(c1=O)C1CC1	EMOLS-id_319303976	329.417	YANDBRCPJYKAJN-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-059317
Cc1noc(C)c1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_60528336,PC-id_75401848,MCULE-6456587326,EMOLS-id_48206609	329.417	PUTXDVNQWUYKHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059318
CCC(c1ccccc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625399	329.417	BHJBTQZTMWXFMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059319
CC(C)c1csc([C@@H](C#N)C(=O)c2noc3c2CCCCC3)n1	ZINC22_158989189	329.417	XSQCLYIBEDLFED-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059320
CC(C)c1csc([C@H](C#N)C(=O)c2noc3c2CCCCC3)n1	ZINC22_158989327	329.417	XSQCLYIBEDLFED-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059321
CC(=O)N1CCc2nc(C(=O)NCc3ccccc3)sc2CC1	EMOLS-id_313791033,ZINC22_2055785137	329.417	LLEHGQBXCCNFIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059322
CC(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319262821	329.417	OVVZLWGKHCLXJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059323
CC(=O)Nc1cccc(c1)C(=O)Nc1nc2CCCCCc2s1	MCULE-1361678124,PC-id_17534390,EMOLS-id_16778560,ZINC22_12828705,CoCoCo_4546096	329.417	CDHCJQTVIAOUDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059324
CC(=O)Nc1ccc(cc1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_17495259,MCULE-4179896377,CoCoCo_4546040,EMOLS-id_16664990	329.417	ISRZHDSVQIQDFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059325
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1ccccc1	PC-id_97442544,EMOLS-id_44304008,ZINC22_96147020	329.417	VIJFCZYHVHKTIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059326
CNC(=O)c1nc2c(s1)CCN(CC2)C(=O)Cc1ccccc1	PC-id_97524687	329.417	IZLPHWSUZGPZDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059327
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc(cc1)C(=O)O	PC-id_19985734,SCHEMBL7283829	329.417	KFPNGKCOGWLNQS-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059328
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1C(=O)O	PC-id_19985969,SCHEMBL7287475	329.417	XBUSFOJNCWFSHP-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059329
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1)C(=O)O	SCHEMBL7294263,PC-id_19985732	329.417	IARYADUUFVKWAX-DUXPYHPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059330
N#Cc1c(sc2c1CCCCCC2)NC(=O)c1oc(nc1C)C	EMOLS-id_111580382	329.417	ASIIQXLNIOFWNF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059331
N#CC(C(=O)c1noc2c1CCCCC2)c1scc(n1)C(C)C	MCULE-5162403203,EMOLS-id_101031904	329.417	XSQCLYIBEDLFED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059332
NC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1	PC-id_40138010,EMOLS-id_27388067,MCULE-2881320089,CoCoCo_4620086,ZINC22_32901853	329.417	HCPYMCAAWFZKSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059333
O=c1cc(cc([nH]1)C1CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_100132935	329.417	KOJXQZUKJFBASV-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-059334
O=C(C1CCC(=O)c2n1ccc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_100964364	329.417	BBGPAMJFRPTLNR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059335
O=C(C1Nc2c(C1)c(O)ccc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_319395219	329.417	GQGQSUZLCLIHKN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-059336
O=C(c1sc2c(c1)CCCCCC2)NNC(=O)c1cccnc1	MCULE-4693361065,EMOLS-id_43850225,PC-id_25443768,CoCoCo_3345954	329.417	RKRUJGFRXLDFCG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-059337
O=C(CNC(=O)c1ccccc1)Nc1nc2CCCCCc2s1	EMOLS-id_323418977,PC-id_25541259,MCULE-6007754475	329.417	WKBBDHLIYSYLDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059338
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(nc1)C	PC-id_51331564	329.417	IJSRHJURUYOIHD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-059339
s1c2CCCCCc2cc1C(=O)NNC(=O)c1nc(ccc1)C	PC-id_32886754	329.417	OORSAGLXUIVVEK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-059340
s1c2c(CCCCC2)c(c1NC(=O)c1nc(ccc1)C)C(=O)N	PC-id_60394436	329.417	BKZXXIWKCFKXAR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-059341
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccncc1	PC-id_26636101	329.417	ZXNDFNOACDPKNY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-059342
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ncccc1	PC-id_9441625	329.417	DQDOIHQPRDJZSD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-059343
s1c2CCN(CCc2nc1N)CC=Cc1cc(ccc1)C(=O)O	PC-id_53906427	329.417	IARYADUUFVKWAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059344
s1c2CCN(CCc2nc1N)CC=Cc1ccc(cc1)C(=O)O	PC-id_53992165	329.417	KFPNGKCOGWLNQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059345
s1c2CCN(CCc2nc1N)CC=Cc1c(cccc1)C(=O)O	PC-id_54461308	329.417	XBUSFOJNCWFSHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059346
c12C(CCCCn1nnn2)C(=O)NCCS(=O)(=O)CC(C)C	PC-id_74246986,EMOLS-id_49673330,MCULE-1537002925	329.418	FQFINDUQFRSZOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059347
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1cccs1	PC-id_90625593	329.418	OSVVXUABSSGTCR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-059348
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CN(S(=O)(=O)N(C)C)C	EMOLS-id_319547096	329.418	XQLYUXLWOWYAHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059349
CC1OCCC(C1)CS(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_318880914	329.418	CFVXGKWXVBHNME-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059350
CC(C)CS(=O)(=O)CCNC(=O)[C@H]1CCCCn2nnnc12	PC-id_97937799,ZINC22_97743072	329.418	FQFINDUQFRSZOO-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-059351
CC(C)CS(=O)(=O)CCNC(=O)[C@@H]1CCCCn2nnnc12	ZINC22_97743071,PC-id_97937798	329.418	FQFINDUQFRSZOO-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059352
CC(C)NC(=O)N1CCCn2cnc(CNS(=O)(=O)C)c2C1	ZINC22_96259441,PC-id_97519525,EMOLS-id_44370436	329.418	RHMYHXKNYNDETE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059353
C[C@H](NC(=O)CN(C)S(=O)(=O)C)c1nnc2n1CCCCC2	PC-id_94098682,ZINC22_46353713	329.418	YTVSRHLXTCQRDS-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-059354
C[C@@H](NC(=O)CN(C)S(=O)(=O)C)c1nnc2n1CCCCC2	ZINC22_46353715,PC-id_94098683	329.418	YTVSRHLXTCQRDS-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059355
CN(C)Cc1nnn2c1CN(C(=O)CCS(=O)(=O)C)CCC2	ZINC22_1565547985,EMOLS-id_313785498	329.418	VSMQFLXUXKFZFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059356
CN(C)CCNC(=O)c1cc2CN(CCCn2n1)S(=O)(=O)C	MCULE-6243302450,ZINC22_65451783,EMOLS-id_32414176,PC-id_50972482	329.418	DHSUWSZPLDSJQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059357
CN(C)C(=O)CN1Cc2ccnn2CCC1CNS(=O)(=O)C	EMOLS-id_313818408	329.418	GTFAAPSOSDCZPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059358
CN(C)C(=O)CN1Cc2ccnn2CC[C@@H]1CNS(=O)(=O)C	ZINC22_585097037	329.418	GTFAAPSOSDCZPT-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059359
CN(C)C(=O)CN1Cc2ccnn2CC[C@H]1CNS(=O)(=O)C	ZINC22_585097042	329.418	GTFAAPSOSDCZPT-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-059360
CS(=O)(=O)N1CCN(Cn2nc3n(c2=O)CCCCC3)CC1	ZINC22_14216932,PC-id_25997856,EMOLS-id_23994459,MCULE-4465456630,CoCoCo_4551181	329.418	CSBLMJHIIJEWPP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059361
O=c1n(CC2CC2)nc2n1CCC(CC2)NS(=O)(=O)N(C)C	MCULE-2737945794,EMOLS-id_97099941	329.418	BWTGUVHJDOFCQL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059362
O=C(CN(S(=O)(=O)C)C)NC(c1nnc2n1CCCCC2)C	MCULE-6870350279,PC-id_53505757,EMOLS-id_35701072	329.418	YTVSRHLXTCQRDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059363
O=S(=O)(CC1OCCC1(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_318929094	329.418	GXQZBPNYAFQSDH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059364
c1(c(C)nc(C(C)C)s1)C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_65404512,PC-id_50963510,MCULE-5769673545,EMOLS-id_32397292	329.42	GOFUQYBPXSFSOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059365
c1(cnn2ccn(C)c12)C(=O)Nc1sc2c(CCCCCC2)n1	ZINC22_1529162107,MCULE-7077169649,PC-id_134706548,EMOLS-id_316178148	329.42	VXTLOPNXHBMHLG-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-059366
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cn2c(n1)sc(c2)C	EMOLS-id_319345677	329.42	JMNAZQSKUIDSEF-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-059367
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc(nc1N)C1CC1	EMOLS-id_318938593	329.42	FFVHXXHWBVBHHZ-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-059368
CCc1cc2c(=O)[nH]c(Cc3nnc4n3CCCCC4)nc2s1	MCULE-2392354287,EMOLS-id_31379116,ZINC22_55494654,PC-id_47019425	329.42	MAIRTONYWIVDMD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059369
Cn1ncc2c1CCCN(C2)Cc1cc(=O)n2c(n1)scc2C	EMOLS-id_101741821	329.42	NMJJNTYYMCQCDR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059370
N#Cc1c(NC(=O)CCn2ccnn2)sc2c1CCCCCC2	PC-id_121565599,ZINC22_253392471,MCULE-8846183118,EMOLS-id_75997797	329.42	BZJLLYQHNCYCJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059371
N#CCCn1ncc(c1C)C(=O)Nc1nc2c(s1)CCCCC2	MCULE-6838702116,EMOLS-id_257960449	329.42	SIMPQQRUBONQCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059372
N#CCCn1nc(cc1C)NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318660193	329.42	VOMNPSUOFAATCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059373
O=C(c1sc2c(c1)c(nn2C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101669242	329.42	HRLSOUGSNYMXGR-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-059374
S1C2=NC(=NC(=O)C2C=C1CC)Cc1n2CCCCCc2nn1	PC-id_75264067	329.42	ABQIUKPYJYJXKO-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-059375
Cc1cnnn1Cc1nnn2c1CN(Cc1cccs1)CCC2	PC-id_97519644,EMOLS-id_44370672,ZINC22_96259562,CHEMBL3551956	329.423	GQDYULOSOQUWFT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-059376
Cc1cnnn1Cc1nnn2c1CN(CCC2)Cc1cscc1	PC-id_97519643	329.423	LMDKOTNZOXVGOC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-059377
S(c1n2CCCCCc2nn1)c1nc(nc2c1n(nc2C)C)C	PC-id_52169354	329.423	UKVOYXIQCYJDQI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059378
FC1CCC(C1)CS(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_320109388,MCULE-9226682293	329.433	PHVREGVXIWJHLV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059379
CC(c1ccc2-c1ccccc2)NCCCc1cc2c(o1)cccc2	PC-id_68813368,SCHEMBL3850770	329.435	ZTFGXMKKUOLUNU-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-059380
O=C(C1(COC1)CS(=O)(=O)C)N1CCCc2c(C1)ccs2	EMOLS-id_319815155	329.435	DWHVKYSDCNQUAX-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-059381
O=C(N=S(=O)(C)C)COC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_278228403	329.435	XRNPRHKFVFMTSW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059382
c1(CN(C)CCOc2ccccc2OC)c2CCCCCc2[nH]n1	MCULE-7158494019,EMOLS-id_32397184,PC-id_50963453,ZINC22_67833585	329.437	HKNPAFNXLAZYKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059383
Cc1cc(CN2Cc3cccn3C[C@@H](CCOCC3CC3)C2)no1	ZINC22_585095246	329.437	JEKLHEVCCWSZCG-KRWDZBQOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059384
Cc1cc(CN2Cc3cccn3C[C@H](CCOCC3CC3)C2)no1	ZINC22_585095248	329.437	JEKLHEVCCWSZCG-QGZVFWFLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059385
Cc1cc(CN2CC(CCOCC3CC3)Cn3cccc3C2)no1	EMOLS-id_313838372	329.437	JEKLHEVCCWSZCG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059386
CC1(C)[C@H]2CC=C(CCOC(=O)c3nnn4c3CCCCC4)[C@@H]1C2	ZINC22_2325865520	329.437	GIUIKDLSCWQLGB-GJZGRUSLSA-N	00001000100011000101001000000010000000000000000000000000	31-01-059387
Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCCc2occc2C1	MCULE-3789639853,ZINC22_377406530,EMOLS-id_177309588	329.437	ASNXHSAWARUBJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059388
CCOCCC1CN(Cc2cccnc2OC)Cc2cccn2C1	EMOLS-id_313837606	329.437	VGGUOGLYMWJDPT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059389
CCOCC[C@H]1CN(Cc2cccnc2OC)Cc2cccn2C1	ZINC22_585095527	329.437	VGGUOGLYMWJDPT-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059390
CCOCC[C@@H]1CN(Cc2cccnc2OC)Cc2cccn2C1	ZINC22_585095528	329.437	VGGUOGLYMWJDPT-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059391
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)CC1=CCCCC1	EMOLS-id_313810479	329.437	XZOUFMLLCDXCPW-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-059392
CNC(=O)C[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2cccn2C1	ZINC22_585099241	329.437	XZOUFMLLCDXCPW-INIZCTEOSA-N	00000000100011000101000000000010000000000000000000000000	31-01-059393
CNC(=O)C[C@H]1CN(C(=O)CC2=CCCCC2)Cc2cccn2C1	ZINC22_585099242	329.437	XZOUFMLLCDXCPW-MRXNPFEDSA-N	00000000100011000101000000000010000000000000000000000000	31-01-059394
COc1cccc(CN2CCCn3cnc(COC(C)C)c3C2)c1	ZINC22_1203822307,EMOLS-id_313728728	329.437	KUIJPFPKNGOHGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059395
COc1ccc(CN2CCCn3cnc(COC(C)C)c3C2)cc1	EMOLS-id_46148391,PC-id_97381703,ZINC22_96059050	329.437	NOPFJVOMYBARHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059396
CS(=O)(=O)N/C=C(c1c2-c(ccccc2)cc1)/c1cccs1	PC-id_134950657	329.437	UXVQTTXPPJONBF-FOWTUZBSSA-N	00000010100100000110000000000010000000000000000000000000	31-01-059397
CS(=O)(=O)N/C=C(/c1ccc2-c1ccccc2)c1cccs1	PC-id_102367277	329.437	UXVQTTXPPJONBF-VBKFSLOCSA-N	00000010100100000110000000000010000000000000000000000000	31-01-059398
CS(=O)(=O)NC=C(c1ccc2-c1ccccc2)c1cccs1	PC-id_142734099	329.437	UXVQTTXPPJONBF-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-059399
O=C1C[C@@H]2C([C@]1(CC2)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)(C)C	EMOLS-id_319561434	329.437	SQGVCAYPJWTWCN-YJYMSZOUSA-N	00000010100000000101000000000110000000000000000000000000	31-01-059400
OC(CCc1ccc(CN2CCc3[nH][nH]c(=O)c3CC2)cc1)(C)C	PC-id_70758178	329.437	PLQLFBRSIQAMIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059401
OC(CN1CC(C)Cc2c(C1)cn[nH]2)COc1cc(C)cc(c1)C	EMOLS-id_319529596	329.437	LULPKMFMTCFINB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059402
c1ccc(cc1)C(=Cc1ccccc1)c1nnc2n1CCCCCC2	PC-id_10246016,SCHEMBL4533315	329.438	LYSACAKBJVJMMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059403
c1ccc(cc1)/C(=Cc1ccccc1)/c1nnc2n1CCCCCC2	PC-id_20724867,SCHEMBL4533314	329.438	LYSACAKBJVJMMC-LVZFUZTISA-N	00000000100000110101000000000010000000000000000000000000	31-01-059404
C1CCC(CC1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625649	329.438	SXHMABZEUVVKBU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059405
CNC1C(=O)N(CCc2c1scn2)CC1CCCS1(=O)=O	PC-id_23554711,SCHEMBL14171165	329.438	POXSSTPPHJGELG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059406
CNC1C(=O)N(CCc2c1scn2)CC1CCS(=O)(=O)C1	PC-id_23554715,SCHEMBL14171166	329.438	ZFQAAYHQKMRKCD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059407
O=C(C1CN(C1)S(=O)(=O)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_278539328	329.438	DXKITPQHVHCXDL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059408
O=C(CN1CCCS1(=O)=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110529168	329.438	SOAMVESYKIZKQH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059409
O=C(N1CCCCc2c1sc(n2)C)C1CN(C1)S(=O)(=O)C	EMOLS-id_319032039	329.438	DMKRVPUXJATDIX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059410
O=C(N1CCCCc2c1sc(n2)C)CN1CCCS1(=O)=O	EMOLS-id_318777677	329.438	OISWEDQNGBJULG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059411
O=C(N1CCS(=O)(=O)CC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110459849	329.438	XEAIUJUNBOJSHG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059412
O=C(NC1CCS(=O)(=O)C1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110343439	329.438	UZTJYGJFBRYDGV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059413
O=C(NC1CS(=O)(=O)C1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_319544941	329.438	PIGCPWHCWXRHID-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059414
c12CN(CCCn1nc(CO)c2)Cc1c[nH]nc1C1CCCCC1	MCULE-8570754511,EMOLS-id_55685441,PC-id_91788857	329.44	AZVYOAWAENKFLW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059415
c1(cc(nn1C)CCC)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	MCULE-9168851981,EMOLS-id_44452179,PC-id_70786843,ZINC22_82166868	329.44	WRLUWCTVXMFHEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059416
c1(CN(C)C(=O)CC(C)n2ccnc2C)c2CCCCCc2[nH]n1	PC-id_118780992,MCULE-2130945676,EMOLS-id_68912259	329.44	ACUZWWRGEBKFDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059417
Cc1cccc(CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)n1	ZINC22_221205834,PC-id_100065962	329.44	AYPCJPYOQCIFQJ-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059418
Cc1cccc(CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)n1	ZINC22_221205897,PC-id_100065963	329.44	AYPCJPYOQCIFQJ-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059419
Cc1cc(CN2Cc3ccnn3C[C@@H](CN3CCCCC3)C2)no1	ZINC22_306125989	329.44	DIKBCVJHSNBQFU-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059420
Cc1cc(CN2Cc3ccnn3C[C@H](CN3CCCCC3)C2)no1	ZINC22_306125990	329.44	DIKBCVJHSNBQFU-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059421
Cc1cc(CN2CC(CN3CCCCC3)Cn3nccc3C2)no1	EMOLS-id_50376357	329.44	DIKBCVJHSNBQFU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059422
Cc1cc(C)n(CCCC(=O)NCc2n[nH]c3c2CCCCC3)n1	MCULE-9629987822,EMOLS-id_222759851,ZINC22_670442941	329.44	RAAMQDLFVXEIOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059423
Cc1c(CN2Cc3ccnn3CCC2COCC2CC2)cnn1C	EMOLS-id_313741495	329.44	PEBWXYJSSOBITA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059424
Cc1c(CN2Cc3ccnn3CC[C@@H]2COCC2CC2)cnn1C	ZINC22_585097663	329.44	PEBWXYJSSOBITA-GOSISDBHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059425
Cc1c(CN2Cc3ccnn3CC[C@H]2COCC2CC2)cnn1C	ZINC22_585097664	329.44	PEBWXYJSSOBITA-SFHVURJKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059426
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c(C)nn(c1C)C(C)C	EMOLS-id_319485644	329.44	JIIYEVHNDNRXBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059427
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)ncs2	EMOLS-id_319674242	329.44	VROGHZBDHISNNZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059428
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc2c1ncs2	MCULE-4449823643,EMOLS-id_320230115	329.44	VKGBDIGJSPBIGM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059429
Cc1nc2c(s1)N(CCCC2)C(=O)c1cncc2c1ccs2	MCULE-2783381652,EMOLS-id_320125322	329.44	BFPLUDVNVPPDNT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059430
Cc1nc2c(s1)N(CCCC2)C(=O)c1nccc2c1scc2	EMOLS-id_319693335	329.44	FVJHJKOABCYGSB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059431
Cc1nccn1[C@H](C)CC(=O)N(C)Cc1n[nH]c2c1CCCCC2	ZINC22_299780117	329.44	ACUZWWRGEBKFDZ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059432
Cc1nccn1[C@@H](C)CC(=O)N(C)Cc1n[nH]c2c1CCCCC2	ZINC22_299780125	329.44	ACUZWWRGEBKFDZ-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059433
Cc1nn(C)c(C)c1CCC(=O)NCc1n[nH]c2c1CCCCC2	MCULE-1558778902,ZINC22_82166599,PC-id_70786369,EMOLS-id_44452025	329.44	PRKUHYKBPJYICI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059434
Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1Cc2cnn(C)c2CC(C)(C)C1	ZINC22_663207406	329.44	OUJRUIYRVMTAMF-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059435
Cc1n[nH]c(C)c1[C@H](C)C(=O)N1Cc2cnn(C)c2CC(C)(C)C1	ZINC22_663207407	329.44	OUJRUIYRVMTAMF-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-059436
Cc1noc(C)c1CN1Cc2nccn2C[C@H](CN2CCCC2)C1	PC-id_97462787,ZINC22_96188348	329.44	JPOZIYXFIXTFRU-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059437
Cc1noc(C)c1CN1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_96188349,PC-id_97462788	329.44	JPOZIYXFIXTFRU-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059438
Cc1noc(C)c1CN1CCc2ncc(CN3CCCC3)n2CC1	EMOLS-id_44328641,ZINC22_96196854,CHEMBL3553016,PC-id_97466998	329.44	GRAMVUDMXUULGD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059439
Cc1noc(C)c1CN1CC(CN2CCCC2)Cn2ccnc2C1	EMOLS-id_44326189	329.44	JPOZIYXFIXTFRU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059440
CCc1c(cnn1C(C)(C)C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101846434	329.44	FFUHIKGXHCRSTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059441
CCc1nn(c(c1CC(=O)N1CC(C)Cc2c(C1)cn[nH]2)CC)C	MCULE-5996761118,EMOLS-id_319982085	329.44	FDONVOPQCWATLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059442
CCCCn1ncc(c1CC)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320286098,MCULE-9389741396	329.44	GJTFDNWBANYPSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059443
CC[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(N(C)C)nc1)C2	PC-id_100047535,ZINC22_219800155	329.44	BEPJNUXBYZCHRV-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059444
CC[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(N(C)C)nc1)C2	ZINC22_219800077,PC-id_100047533	329.44	BEPJNUXBYZCHRV-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059445
CC(C)n1cccc1C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_257867034,MCULE-5077059956,ZINC22_179657214	329.44	ADKMNRPHEPNYCQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-059446
CCC(n1ccc(n1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C)CC	EMOLS-id_316445040,MCULE-8546904577	329.44	QHRRSPJGKLKPKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059447
CCC(n1nc(cc1C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)CC	EMOLS-id_319435244	329.44	FEFHUXOJSZSARJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059448
CCC(n1nc(cc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C)CC	EMOLS-id_319071346	329.44	OLNAKEDLOPKSPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059449
CC(C)N(C)CC1CN(Cc2nccn2C1)C(=O)c1cccn1C	EMOLS-id_44326157	329.44	SINXPDJCGMZVTQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-059450
CC(C)N(C)Cc1ncn2c1CN(C(=O)c1cccn1C)CCC2	ZINC22_96259218,EMOLS-id_44369982,PC-id_97519302	329.44	PSRXHIOSMZQQLB-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-059451
CC(C)N(C)C[C@H]1CN(C(=O)c2cccn2C)Cc2nccn2C1	ZINC22_96188316,PC-id_97462757	329.44	SINXPDJCGMZVTQ-OAHLLOKOSA-N	00000000110000000101000000000010000000000000000000000000	31-01-059452
CC(C)N(C)C[C@@H]1CN(C(=O)c2cccn2C)Cc2nccn2C1	ZINC22_96188317,PC-id_97462758	329.44	SINXPDJCGMZVTQ-HNNXBMFYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-059453
CCC(O)c1cc2CN(Cc3ccc(nc3)N(C)C)CCCn2n1	PC-id_90649508,EMOLS-id_50533817,MCULE-3219747048	329.44	BEPJNUXBYZCHRV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059454
CCn1cc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)cn1	ZINC22_2055708217	329.44	VPCJPIAYCKVGOM-KRWDZBQOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059455
CCn1cc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)cn1	ZINC22_2055708219	329.44	VPCJPIAYCKVGOM-QGZVFWFLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059456
CCn1cc(CN2CC(COCC3CC3)Cn3nccc3C2)cn1	EMOLS-id_313722331	329.44	VPCJPIAYCKVGOM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059457
CCN(CC)Cc1cnc2CCN(CCn12)C(=O)c1cccn1C	EMOLS-id_44328593,ZINC22_96196830,PC-id_97466975	329.44	GUCPUJBMADYNJO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-059458
Cn1cc(CN2Cc3cncn3C[C@H](COCC3CCC3)C2)cn1	PC-id_97476856,ZINC22_96208729	329.44	ZZPPNRKDVFGZPO-QGZVFWFLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059459
Cn1cc(CN2Cc3cncn3C[C@@H](COCC3CCC3)C2)cn1	ZINC22_96208730,PC-id_97476857	329.44	ZZPPNRKDVFGZPO-KRWDZBQOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059460
Cn1cc(CN2CC(COCC3CCC3)Cn3cncc3C2)cn1	EMOLS-id_49232139	329.44	ZZPPNRKDVFGZPO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059461
Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CCCc2c(cnn2C)C1	EMOLS-id_316082050,MCULE-7086319377,ZINC22_668238199	329.44	JXBOBFGVYGZXAW-WMLDXEAASA-N	00000000100010000101100000000010000000000000000000000000	31-01-059462
Cn1ccnc1[C@@H]1OCC[C@H]1CN1Cc2c[nH]nc2CC(C)(C)C1	ZINC22_668845144,MCULE-4836291669,EMOLS-id_320367214,PC-id_139020680	329.44	OKQKXTJTOQKHRZ-XJKSGUPXSA-N	00000010100000000101100000000010000000000000000000000000	31-01-059463
CN1CCN(Cc2cnc3CCN(Cc4ccoc4)CCn23)CC1	PC-id_97467068,EMOLS-id_44328777,ZINC22_96196924	329.44	LYGQKBDVPBSCQS-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-059464
CN1CCN(CC2CN(Cc3ccoc3)Cc3nccn3C2)CC1	EMOLS-id_46160637	329.44	ZIOJJTFHBWHAHQ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-059465
CN1CCN(C[C@H]2CN(Cc3ccoc3)Cc3nccn3C2)CC1	ZINC22_96067016,PC-id_97389342	329.44	ZIOJJTFHBWHAHQ-KRWDZBQOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-059466
CN1CCN(C[C@@H]2CN(Cc3ccoc3)Cc3nccn3C2)CC1	ZINC22_96067017,PC-id_97389343	329.44	ZIOJJTFHBWHAHQ-QGZVFWFLSA-N	00000000101010000101000000000010000000000000000000000000	31-01-059467
CN(C(C)C)Cc1cnc2n1CCN(CC2)C(=O)c1cccn1C	PC-id_97466989	329.44	BQJYCAJHUMIESG-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-059468
CN(C)CC(O)c1cc2CN(Cc3cccc(C)n3)CCCn2n1	PC-id_90651461,EMOLS-id_50540973,MCULE-4480346606	329.44	AYPCJPYOQCIFQJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059469
CN(C)CCOCC1CN(Cc2ccccn2)Cc2ccnn2C1	EMOLS-id_44326897	329.44	SAONKBMGJSGFMV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059470
CN(C)CCOCC1CN(Cc2cccnc2)Cc2ccnn2C1	EMOLS-id_44326899	329.44	XWQJESINZXIEDW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059471
CN(C)CCOC[C@@H]1CN(Cc2ccccn2)Cc2ccnn2C1	PC-id_97463388,ZINC22_96188969	329.44	SAONKBMGJSGFMV-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059472
CN(C)CCOC[C@H]1CN(Cc2ccccn2)Cc2ccnn2C1	ZINC22_96188968,PC-id_97463387	329.44	SAONKBMGJSGFMV-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059473
CN(C)CCOC[C@H]1CN(Cc2cccnc2)Cc2ccnn2C1	ZINC22_96188970,PC-id_97463389	329.44	XWQJESINZXIEDW-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059474
CN(C)CCOC[C@@H]1CN(Cc2cccnc2)Cc2ccnn2C1	ZINC22_96188971,PC-id_97463390	329.44	XWQJESINZXIEDW-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059475
COc1ccc(cc1C(C)(C)C)CNC1CCn2c(CC1)nnn2	EMOLS-id_318727193,MCULE-8474148288	329.44	NPXGIOSTMRQQGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059476
COc1c(C)cnc(CN(C)Cc2cc3CNCCCn3n2)c1C	MCULE-6847399467,PC-id_56898599,ZINC22_72161257,EMOLS-id_43124929	329.44	BBKQIGBPJMESKC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059477
COCCN(C)c1ccc(CN2CCCc3c(cnn3C)C2)cn1	MCULE-4817003654,ZINC22_414472991,EMOLS-id_316904591	329.44	PMDMMMWMGUDJID-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059478
NCC1CCC(CC1)C(=O)N1Cc2cnn(c2N/C(=C/C)/C1=C)C	PC-id_143188748	329.44	RXHDDDSZEGKZRV-AYSLTRBKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059479
N#CC1(CCCCC1)NC(=O)C(N1CCCc2c(C1)cnn2C)C	EMOLS-id_101738963	329.44	ALADTNLCFYLAOX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059480
N#CC1(CCCCC1)N(C(=O)CN1CCCc2c(C1)cnn2C)C	EMOLS-id_101739946	329.44	YTWVAUPQKZHEFR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059481
N#CC1(CCCCC1)N(C(=O)CN1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319070480	329.44	YNCHHHJVWAYZPM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059482
OC(c1nccn1Cc1nnc2n1CCCCC2)C1CCCCC1	EMOLS-id_318516056	329.44	UHJBTYJXTZLVNJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059483
O=C(c1[nH]cnc1C(C)(C)C)N1Cc2cnn(c2CC(C1)(C)C)C	MCULE-4318196600,EMOLS-id_316391923	329.44	BCCXUTOGQBAOQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059484
O=C(C(c1c(C)n[nH]c1C)C)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_320360552,PC-id_139020534,MCULE-5547113830	329.44	OUJRUIYRVMTAMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059485
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Cn1ccnc1C(C)C	EMOLS-id_316667863	329.44	LICASAVSIBLEEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059486
O=C(N1CCCc2c(C1)ccs2)Cc1cccc2c1nsn2	EMOLS-id_319526664	329.44	VKYKHSXHLCOVOK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059487
O=C(N1CCCc2c(C1)cnn2C)Cc1c(C)nn(c1C)C(C)C	EMOLS-id_101678306	329.44	AXQMFOZQSMHTAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059488
s1c2CCCCCc2c(c1NC(=O)CC[n+]1c([nH]cc1)C)C#N	PC-id_37838764	329.44	MRGQFBCBUUYRNU-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-059489
C1CCn2c(CC1)nnc2CN1CCCCC1CCn1ccnn1	EMOLS-id_320241904,MCULE-9767213660	329.443	NHRWLLZQNZSTBN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059490
c1cn(CCN2CCN(Cc3cc4n(n3)CCCNC4)CC2)cn1	MCULE-1404924536,PC-id_56910009,EMOLS-id_43159650,ZINC22_72163273	329.443	DMRWJNHJZABSPF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059491
Cc1ccc(NCc2cnc3n2CCN(CCN(C)C)CC3)nn1	EMOLS-id_46161925,PC-id_97390248,ZINC22_96067942	329.443	UHNZZHFJYLUFIJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059492
CC1CN(Cc2c(C1)[nH]nc2)C(c1nnnn1C1CCCCC1)C	EMOLS-id_319939362,MCULE-6928215755	329.443	AESPGPMULPZWBS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059493
Cc1nc(C)n([C@H]2CCCN(Cc3nnc4n3CCCCC4)C2)n1	ZINC22_375787308	329.443	FAEQENLWDOMBGJ-HNNXBMFYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059494
Cc1nc(C)n([C@@H]2CCCN(Cc3nnc4n3CCCCC4)C2)n1	ZINC22_375787312	329.443	FAEQENLWDOMBGJ-OAHLLOKOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059495
Cc1nc(n(n1)C1CCCN(C1)Cc1nnc2n1CCCCC2)C	MCULE-7804949261	329.443	FAEQENLWDOMBGJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059496
CC(c1nnnn1C1CCCCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101742826	329.443	NHWJTNWMVJTBDG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059497
CCNC(=NCc1nnc2n1CCCCC2)NCCn1cccc1	PC-id_109530087	329.443	MBGPZTMTCPYLPP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-059498
Cn1cc(c(n1)C1CCCCC1)CNC1CCn2c(CC1)nnn2	EMOLS-id_102000426	329.443	ACBLRBVQRJUXKW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059499
Cn1ccnc1CN1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97519771	329.443	UTVQHNDVCFKKIT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059500
Cn1ncc(c1)CN1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97405619	329.443	CQYQALZZDIZTAW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059501
CN=C(N(Cc1cccn1C)C)NCc1nnc2n1CCCCC2	PC-id_109804712	329.443	OEYILIPECSXZIR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-059502
Cc1ccc(cc1)C(C(C(=O)N1CCCc2c(C1)ccs2)O)C	EMOLS-id_318275727	329.456	GZQAIKIFVDHXGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059503
Cc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)c(C)c1O	MCULE-3835876573,PC-id_40043505,EMOLS-id_24052562,ZINC22_32810032,CoCoCo_4814259	329.456	MPIMLTRAWULAHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059504
CCCCOc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	SCHEMBL7093443,PC-id_19029049	329.456	KHXCAVNSBRDAPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059505
COc1ccccc1CCNC(=O)c1cc2c(s1)CCCCC2	ZINC22_17845552,PC-id_27756996,EMOLS-id_33330825,MCULE-9881292026	329.456	OGOREKRMQURKHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059506
COc1ccccc1CN(C)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_3411610,PC-id_4788914,MCULE-7902366916,CoCoCo_3343853,ZINC22_6561425	329.456	BSUXOSJUNMANTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059507
COc1ccc(CCNC(=O)c2cc3c(s2)CCCCC3)cc1	EMOLS-id_30655131,MCULE-9716213398,ZINC22_17154736,PC-id_24538278	329.456	USCHKWLTTQRDNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059508
O=C(c1cc2c(s1)CCCCC2)N(CCO)Cc1ccccc1	MCULE-1574363049,PC-id_72072042,EMOLS-id_42933573,ZINC22_60657869	329.456	PJHGOFDPWFTBTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059509
OC(c1ccccc1)CNC(=O)c1sc2c(c1)CCCCCC2	MCULE-8673891208,PC-id_51109937,EMOLS-id_33334059	329.456	XDEIXYZXRYEMLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059510
O=C(C(CCc1ccccc1)(O)C)N1CCCc2c(C1)ccs2	EMOLS-id_318248855	329.456	DTNQWVCQDPQKIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059511
O=C(NC[C@@H](O)c1ccccc1)c1cc2c(s1)CCCCCC2	PC-id_52532091,ZINC22_58381856	329.456	XDEIXYZXRYEMLS-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059512
O=C(NC[C@H](O)c1ccccc1)c1cc2c(s1)CCCCCC2	PC-id_52532092,ZINC22_58381859	329.456	XDEIXYZXRYEMLS-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059513
s1c2CCCCCCc2cc1C(=O)Nc1c(COC)cccc1	PC-id_52609860	329.456	WYUDKMRLSBTMLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059514
s1c2CCCCCCc2cc1C(=O)N(c1c(OC)cccc1)C	PC-id_52701053	329.456	RKFXTDTXGGYMII-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059515
s1c2CCCCCCc2cc1C(=O)N(Cc1cc(O)ccc1)C	PC-id_52717873	329.456	ACOFUYQKBAIRHI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059516
S(CCN1CCCC1)CCc1c2-c(c(c1)C(=O)O)ccccc2	PC-id_85570869	329.456	JJFQVFSPMNBBHR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059517
COCC(S(=O)(=O)N1Cc2cnn(c2CC(C1)(C)C)C)CC	EMOLS-id_319195463	329.458	LQWGQWCTYRUPPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059518
COC(CS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)CC(C)C	EMOLS-id_319606069	329.458	QEYOICVSDNTOMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059519
c1(cc2c(CCCCC2)s1)C(=O)N1CCC(CC1)c1[nH]ccn1	PC-id_70743097,ZINC22_72430350,MCULE-6052080336,EMOLS-id_43123867	329.46	CDUMZXRUDCBFMH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059520
c1(cc2c(CCC(C)C2)s1)C(=O)N1CCCn2nc(C)cc2C1	EMOLS-id_46081581,PC-id_72915585,MCULE-4579206777	329.46	XAQXNUCEMGWTCW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059521
c1(cc2c(CCCCC2)s1)C(=O)N(C)C(C)Cc1cnccn1	PC-id_91760597,EMOLS-id_55604496,MCULE-1433499274	329.46	SORKOQJWGKNJJG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059522
c1(CN(C)Cc2cc(cs2)C#CCO)c2CCCCCc2[nH]n1	ZINC22_828644673,MCULE-7853996427,EMOLS-id_232832556	329.46	YDUCJJHLFZXNIB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-059523
c1(NC(=O)Nc2ccc(cc2)CC)sc2c(CCCCCC2)n1	CoCoCo_2552423,EMOLS-id_16329866,MCULE-6938013308,PC-id_20966642	329.46	LTHLKHHXIYOOES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059524
c1(NC(=O)Nc2ccccc2CC)sc2c(CCCCCC2)n1	EMOLS-id_16329896,CoCoCo_2552438,MCULE-2631645292,PC-id_20966654	329.46	PVPVXQMTCMZDLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059525
c1(NC(=O)Nc2ccc(c(C)c2)C)sc2c(CCCCCC2)n1	MCULE-4467377248,CoCoCo_2552426,PC-id_16028946,EMOLS-id_16329872,CHEMBL1530984	329.46	PTFKVENIPSWGBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059526
c1(NC(=O)NCCc2ccccc2)sc2c(CCCCCC2)n1	PC-id_20966661,CoCoCo_2552447,MCULE-6139596418,EMOLS-id_16329912	329.46	HJEDXHNNFLSNDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059527
CC1(Cc2c(CN(C1)C(=O)C(c1ccccc1)SC)cn[nH]2)C	EMOLS-id_316875501,MCULE-3607807747,PC-id_136552868	329.46	CVZWCUBVDCBZSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059528
Cc1cc2n(n1)CCCN(C(=O)c1cc3c(s1)CC[C@H](C)C3)C2	ZINC22_91872302,PC-id_97145060	329.46	XAQXNUCEMGWTCW-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059529
Cc1cc2n(n1)CCCN(C(=O)c1cc3c(s1)CC[C@@H](C)C3)C2	ZINC22_91872304,PC-id_97145061	329.46	XAQXNUCEMGWTCW-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059530
Cc1ccc(cc1)CN(C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112825178	329.46	PYSJZOGNOUVCAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059531
Cc1cc(C)c(c(c1)C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_5902003,CoCoCo_5902004	329.46	GLLIJRGKAIKVQQ-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059532
Cc1cc(C)c(c(c1)C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_5902005,CoCoCo_5902002	329.46	GLLIJRGKAIKVQQ-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059533
Cc1cc(C)c(c(c1)C)C(=O)CSc1nnc2n1CCCCC2	CoCoCo_5902001,PC-id_7876696	329.46	HEUISZRXLBLIAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059534
Cc1cc(C)c(C(=O)CSc2nc3n(n2)CCCCC3)c(C)c1	CoCoCo_5900354,PC-id_4186298,CoCoCo_5900355,Chemmine_62375,ZINC22_390132,EMOLS-id_686989,MCULE-8333603224,MS2_R867799	329.46	CQGXTIVBTHYLOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059535
Cc1cc(C)c(C(=O)CSc2nnc3n2CCCCC3)cc1C	MCULE-3411824247,PC-id_29462623,ZINC22_21375005,EMOLS-id_29646268,CoCoCo_3081420	329.46	RHZCQTIGXDPXPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059536
Cc1cc(c([nH]1)C)/C=N/NC(=O)c1cc2c(s1)CCCCCC2	PC-id_135729330	329.46	QHAWBDHBZDGVHW-YBFXNURJSA-N	00000000110000000100000000000010000000000000000000000000	31-01-059537
Cc1cnn(CC2CC2)c1NC(=O)c1cc2c(s1)CCCCC2	MCULE-5965901020,PC-id_71882810,ZINC22_63848686,EMOLS-id_44557547	329.46	FETBPJRBQSHIFN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059538
CC(C(c1ccccc1)N)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_119700445,MCULE-2496048600,EMOLS-id_301827765	329.46	UZGASRPJXXMNBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059539
CC(C)(C)c1ncc(NC(=O)c2cc3c(s2)CCCCC3)cn1	MCULE-4805642990,EMOLS-id_33362281,PC-id_51126083,ZINC22_58406796	329.46	KKHWHXBOAPUXQU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059540
CCC(CC(=C)C=N)NC(=O)c1c(c2c(s1)CC=C(C=C2)C)N	PC-id_137488711,SCHEMBL20731207	329.46	RWKSYKNYCCCGAP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-059541
CC(C)N1CCc2nc(C(=O)NCc3ccccc3)sc2CC1	EMOLS-id_313794105,ZINC22_2055793489	329.46	JOAZTWFIQDVSCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059542
CCN(C(=O)Nc1nc2c(s1)CCCCC2)Cc1ccccc1	PC-id_112825193	329.46	CFIAWOHOLSRCGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059543
CCOc1cccc(c1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7303005	329.46	IYFGOJVQMGSIFL-GQCTYLIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-059544
CCOc1ccc(cc1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7304596	329.46	WMSQINUMAFKNRU-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059545
CCOc1ccccc1/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7306847	329.46	ZSCPPCLYRUUEIY-FNORWQNLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059546
CCOc1cccc(c1)C=CCN1CCc2c(CC1)sc(n2)N	PC-id_88125262	329.46	IYFGOJVQMGSIFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059547
CCOc1ccc(cc1)C=CCN1CCc2c(CC1)sc(n2)N	PC-id_88125445	329.46	WMSQINUMAFKNRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059548
CCOc1ccccc1C=CCN1CCc2c(CC1)sc(n2)N	PC-id_88125742	329.46	ZSCPPCLYRUUEIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059549
CN(C(c1ccccc1)C)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825077	329.46	SFSVYDRYCGXREL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059550
CN(C)c1ncccc1CNC(=O)c1cc2c(s1)CCCCC2	ZINC22_32687639,PC-id_51115081,EMOLS-id_33349092,MCULE-5943045438	329.46	FCNNIKPFKTWWDQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-059551
CN(C(=O)c1cc2c(s1)CCCCC2)[C@H](Cc1cnccn1)C	PC-id_100005305	329.46	SORKOQJWGKNJJG-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059552
CN(C(=O)c1cc2c(s1)CCCCC2)[C@@H](Cc1cnccn1)C	PC-id_100005308	329.46	SORKOQJWGKNJJG-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059553
CS[C@H](C(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1ccccc1	ZINC22_596004234	329.46	CVZWCUBVDCBZSW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059554
CS[C@@H](C(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1ccccc1	ZINC22_596004235	329.46	CVZWCUBVDCBZSW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059555
NCc1cccc(c1)C(=O)NCCc1nc2c(s1)CCCCC2	EMOLS-id_319512663	329.46	PYJWESYEXVRZNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059556
N#Cc1c(NC(=O)CN2CCC=C(C2)C)sc2c1CCCCC2	EMOLS-id_100966071	329.46	MMLULXFDLXFGIG-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-059557
N#Cc1c(NC(=O)CN2CCC(=CC2)C)sc2c1CCCCC2	EMOLS-id_98100819	329.46	TUCAZCYUTZVXKR-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-059558
N#Cc1c(NC(=O)CN2CCC(=C)CC2)sc2c1CCCCC2	EMOLS-id_98776268	329.46	BHBSGLZQKMHPNC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-059559
N[C@H](C(=O)Nc1sc2c(n1)CCCCCC2)Cc1ccccc1	PC-id_119300555	329.46	GJQMSSVWOSOIQO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059560
O=C(c1cc2c(s1)CCCCC2)N1CCCC(C1)n1cncc1	MCULE-4326616537,EMOLS-id_36669215,PC-id_53593294	329.46	UFORHWSQJTYRHV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059561
O=C(c1cc2c(s1)CCCCC2)N1CCC[C@@H](n2ccnc2)C1	ZINC22_69662096,PC-id_95314144	329.46	UFORHWSQJTYRHV-OAHLLOKOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059562
O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](n2ccnc2)C1	ZINC22_69662099,PC-id_95314145	329.46	UFORHWSQJTYRHV-HNNXBMFYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059563
O=C(c1cc2c(s1)CCCCC2)NC1CC(C1)Cn1cccn1	EMOLS-id_319332075	329.46	TYJJJASESKPMQJ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059564
O=C(c1cc2c(s1)CCCCC2)NC1CC(C1)Cn1cncc1	EMOLS-id_319304187,MCULE-9188056623	329.46	UAPIZNSKBRTDME-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059565
O=C(c1cc2c(s1)CCCCC2)Nc1ccnn1C(C1CC1)C	PC-id_112773369	329.46	JUPGLTJKAVPBQK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059566
O=C(c1cc2c(s1)CCCCC2)N[C@@H]1C[C@H](C1)Cn1cncc1	EMOLS-id_319303931	329.46	UAPIZNSKBRTDME-CTYIDZIISA-N	00001000100000000101000000000010000000000000000000000000	31-01-059567
O=C(c1cc(n(c1C)C1CC1)C)Nc1nc2c(s1)CCCCC2	PC-id_112807876	329.46	BECRQERBYZIHME-UHFFFAOYSA-N	00100000110000000101100000000010000000000000000000000000	31-01-059568
O=C(c1sc2c(c1)CCCCCC2)NC1CCc2c(C1)nc[nH]2	EMOLS-id_99645960	329.46	PPBPXZDHXSDZSU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059569
O=C(c1sc2c(c1)CCCCCC2)N(CCc1ncccn1)C	EMOLS-id_318980094	329.46	YIWYYSJLHJTLMC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059570
O=C(C(c1ccccc1)(N)C)Nc1sc2c(n1)CCCCCC2	PC-id_120589906	329.46	ZGFIJFCTEMMHPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059571
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(C)c(cc1C)C	CoCoCo_3081422,CoCoCo_3081423	329.46	CHVOIOFFZSOMBT-LFIBNONCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059572
O/C(=CSc1nnc2n1CCCCC2)/c1cc(C)c(cc1C)C	CoCoCo_3081424,CoCoCo_3081421	329.46	CHVOIOFFZSOMBT-WJDWOHSUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059573
O=C(Nc1sc2c(n1)CCCCCC2)CCc1ccccc1N	EMOLS-id_302385417,MCULE-9664944563,PC-id_120609612	329.46	HUBLVHUFXPNCAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059574
O=C(N(CCc1ccccc1)C)Nc1nc2c(s1)CCCCC2	PC-id_112838296	329.46	YSHUFRCTRZXDKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059575
O=S(N[C@H](c1ccccc1)C)/C=C/c1n[nH]c2c1CCCCC2	PC-id_145479815	329.46	KZILQICFABHMNH-FLZZGMETSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059576
s1c2CCCCCCc2cc1C(=O)NNC=C1C(=NC(=C1)C)C	PC-id_8380974	329.46	OFBGQGVUVDXIJP-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-059577
s1c2CCCCCCc2nc1NC(=O)c1ccc(N(C)C)cc1	PC-id_60571751	329.46	YMKPAIRRYCLFQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059578
s1c2CCCCCCc2nc1NC(=O)c1cc(N(C)C)ccc1	PC-id_60571750	329.46	OCUKUEYBLJRNKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059579
s1c2CCN(CCc2nc1NC(=O)C)CCCc1ccccc1	PC-id_19985942	329.46	TVKPWWALWZESMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059580
S(c1n2CCCCCc2nn1)C(C(=O)c1c(ccc(c1)C)C)C	PC-id_46792429	329.46	ZDRPGGKVECRGBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059581
S(c1n2CCCCCc2nn1)C(C(=O)c1cc(c(cc1)C)C)C	PC-id_78559247	329.46	UYVHMVWTGZTGOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059582
S(c1n2CCCCCc2nn1)[C@@H](C(=O)c1c(ccc(c1)C)C)C	PC-id_7877064	329.46	ZDRPGGKVECRGBS-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059583
S(c1n2CCCCCc2nn1)[C@H](C(=O)c1c(ccc(c1)C)C)C	PC-id_7877066	329.46	ZDRPGGKVECRGBS-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059584
S(c1n2CCCCCc2nn1)[C@@H](C(=O)c1cc(c(cc1)C)C)C	PC-id_7877072	329.46	UYVHMVWTGZTGOI-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059585
S(c1n2CCCCCc2nn1)[C@H](C(=O)c1cc(c(cc1)C)C)C	PC-id_7877073	329.46	UYVHMVWTGZTGOI-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059586
S=c1n(CN2CCCC2c2cccnc2)nc2n1CCCCC2	EMOLS-id_27376156,PC-id_24563725,MCULE-2083472557	329.463	WPNAJWXPNVPPFB-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-059587
S=c1n(CN2CCC[C@H]2c2cccnc2)nc2n1CCCCC2	CoCoCo_4402908,PC-id_32074083,ZINC22_24758902,CoCoCo_4402906	329.463	WPNAJWXPNVPPFB-HNNXBMFYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-059588
S=c1n(CN2CCC[C@@H]2c2cccnc2)nc2n1CCCCC2	PC-id_32074076,CoCoCo_4402907,ZINC22_24758895,CoCoCo_4402905	329.463	WPNAJWXPNVPPFB-OAHLLOKOSA-N	00000010100000101101100000000010000000000000000000000000	31-01-059589
CNCCCCN1CCc2c(CC1)nc(s2)OCC(F)(C)C	PC-id_145452181	329.476	YFILEJHRKSNGGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059590
CC1OCCC(C1)CS(=O)(=O)N1CCCc2c(C1)ccs2	MCULE-6018977147,EMOLS-id_320204929	329.478	AAAUJCDCVCOOOJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-059591
CC(c1ccc(c2-c(c1)c(C)cc2)/C=Cc1ccc(cc1)N(C)C)C	CoCoCo_5750494	329.478	KQJFXUMXCAYMBT-YFHOEESVSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059592
CC(c1ccc(c2-c(c1)c(C)cc2)/C=C/c1ccc(cc1)N(C)C)C	PC-id_5469112,CoCoCo_5750493,NSC683331	329.478	KQJFXUMXCAYMBT-JXMROGBWSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059593
CC(C)(C(=O)NCc1cc2c(s1)CCCCC2)S(=O)(=O)C	PC-id_75371208,EMOLS-id_48234048,MCULE-8337441345,ZINC22_95396343	329.478	DFWFQPDLXLJSNM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059594
CCO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319645399	329.478	BYETUIQFKGDTAK-HIFRSBDPSA-N	00000010100000000100000000000010000000000000000000000000	31-01-059595
CS(=O)(=O)CCCNC(=O)c1cc2c(s1)CCCCCC2	EMOLS-id_33308892,MCULE-3062079778,ZINC22_47696034,PC-id_51085507	329.478	XHKOEJFMTIRAJP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059596
N(c1ccc(C=Cc2c3-c(cc(C(C)C)cc2)c(cc3)C)cc1)(C)C	PC-id_388423	329.478	KQJFXUMXCAYMBT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059597
CCCCC(COC(=C)CCn1nc2c(n1)C=CC(C=C2)C)CC	PC-id_145262467	329.48	LSIBWWHISJNPKW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-059598
C[NH+](Cc1ccccc1NC(=O)c1cc2c(s1)CCCCC2)C	GD-id_ZINC24809993	329.48	VJPSCXGOHJVUFW-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-059599
O=C(NCCSCCCO)Nc1nc2c(s1)CCCCC2	MCULE-7361414564,PC-id_75419931,ZINC22_95351487,EMOLS-id_48229936	329.481	WPWAGXQEKUBQGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059600
CN1CC23C(C1)(CCCC2)CN(C3)Cc1nnc2n1CCCCC2	EMOLS-id_318798190	329.483	LFKIIHQQSMMFCV-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-059601
Cc1cc(c2-c1cc(ccc2C)C(C)C)[CH+]c1ccc(cc1)C(C)C	PC-id_101158537	329.498	AYTZHNWTORPEMX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059602
CC(c1ccc(c2-c(c1)c(C)cc2C=NS(=O)C(C)(C)C)C)C	PC-id_101363849	329.499	HPFKIQKWLMZSHP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059603
CN(CCCc1ccccc1)C1CCc2cc(CO)sc2CC1	CHEMBL4637655	329.499	UAMICTNBFXMAML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059604
OCc1cc2c(s1)CCC(NCCCCc1ccccc1)CC2	CHEMBL4644834	329.499	WJQPJAIEJNBGOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059605
CCCNC(c1cc2c(s1)CCCCC2)CCS(=O)(=O)C	PC-id_115848262	329.521	VSTBLXNGSAHICY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059606
CCNC(c1cc2c(s1)CCCCC2)CCCS(=O)(=O)C	PC-id_115820162	329.521	IEMVFOBHLPNTRE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059607
CNC(c1cc2c(s1)CCCCC2)CCCS(=O)(=O)CC	PC-id_115865461	329.521	OQUMLKJLMSNDAC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059608
ClC(Cl)(Cl)C(=O)c1c2-c(c(c1)C)cccc(C(C)C)c2	PC-id_86252816	329.649	IZXLKMYLZBNLLG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059609
ClC(Cl)(Cl)C(=O)c1c2-c(cc1C)ccc(C(C)C)cc2	PC-id_86252819	329.649	ZMOOQGYCSKPFKP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059610
Cc1c(ccc(c1)Cl)Oc1ccc2-c(c(c(=O)[nH]2)C(=O)O)cc1	PC-id_87892180,SCHEMBL5794327	329.734	PNPYFKKAGOTWCU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059611
Cc1cccc(c1On1c(=O)c(c2-c1ccccc2)C(=O)O)Cl	SCHEMBL14584134,PC-id_71210492	329.734	LZEFMZLZTMNBMP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059612
Clc1ccc(c(c1)C)On1c(=O)c(c2-c1ccccc2)C(=O)O	PC-id_58816530,SCHEMBL5425557	329.734	KQQNELGBACYZEN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059613
OB(c1c(Br)c2-c(c1Br)ccccc2)O	PC-id_101246091	329.78	BGOLETPQRVOTAP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059614
c1(CC(=O)N2CCCn3cncc3C2)[nH]c2c(cc(cc2)Cl)n1	PC-id_56897498,ZINC22_72157720,EMOLS-id_43120345,MCULE-6607865223	329.784	RXKYEVZNGJNUGX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059615
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(Cl)ccc2c1[nH]nc2	EMOLS-id_318903342	329.784	RQFDZCUOSQFIPV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059616
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn2c1c(Cl)ccc2	EMOLS-id_319206851	329.784	UNZKVVTVWWBFRN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059617
Clc1ccc2c(c1C(=O)N1CCCc3c(C1)cnn3C)[nH]nc2	EMOLS-id_320091262,MCULE-4820172657	329.784	LZLINUAXEKPUDZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059618
Clc1ccc(c2c1cn[nH]2)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_319026580	329.784	ROWDWFWPEXSTNW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059619
Clc1c(ccc2c1cn[nH]2)NC(=O)c1cnc2n1CCCCC2	MCULE-4338723943,EMOLS-id_320102345	329.784	FNQPXRVELMVOTH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059620
Clc1ccc(NC(=O)/C(=C/2N3CCCCCC3=NN2)/C#N)cc1	PC-id_5951560	329.784	QHUSKPVWMRHMHU-SQFISAMPSA-N	00000011000000110111000000000010000000000000000000000000	31-01-059621
Clc1ccc(NC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)cc1	PC-id_6519414	329.784	QHUSKPVWMRHMHU-FYWRMAATSA-N	00000011000000110111000000000010000000000000000000000000	31-01-059622
Clc1ccc(NC(=O)C(=C2N3CCCCCC3=NN2)C#N)cc1	PC-id_6811015	329.784	QHUSKPVWMRHMHU-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-059623
Clc1ccc(NC(=O)C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_75860173	329.784	WXYGOARNJYUACH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059624
N#Cc1ccc(cc1Cl)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320139882,MCULE-9545424130	329.784	JYEHAHPZZRJYTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059625
N#Cc1ccc(cc1Cl)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101963217	329.784	ADLFXCBRACFUJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059626
N#C/C(=C(Nc1ccc(cc1)Cl)/O)/c1nnc2n1CCCCC2	CoCoCo_3732785	329.784	KDKFTZBLJZTIHL-SSZFMOIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059627
N#C/C(=C(/Nc1ccc(cc1)Cl)O)/c1nnc2n1CCCCC2	CoCoCo_3732786	329.784	KDKFTZBLJZTIHL-DTQAZKPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059628
N#CC(=C(Nc1ccc(cc1)Cl)O)c1nnc2n1CCCCC2	EMOLS-id_26167652,MCULE-2529577773	329.784	KDKFTZBLJZTIHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059629
N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)c1nnc2n1CCCCC2	ZINC22_192707676	329.784	WXYGOARNJYUACH-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059630
N#C[C@H](C(=O)Nc1ccc(Cl)cc1)c1nnc2n1CCCCC2	ZINC22_58158359,PC-id_52501671	329.784	WXYGOARNJYUACH-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059631
O=C(c1n[nH]c2c1CCCCC2)Nc1ccc2c(c1Cl)cn[nH]2	EMOLS-id_319224185	329.784	KCQSVTNZYBLPCW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059632
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl	EMOLS-id_319542595	329.824	DDMSVUIQYGOPHS-YUIIUQSRSA-N	00100000100000110101100000000010000000000000000000000000	31-01-059633
C=COC(=NCc1nc2c([nH]1)C=CCC=C2)C/C(=C/C(=C)Cl)/C	PC-id_143316254	329.824	PPNITQKAZUXZJF-SKTWWACDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-059634
NN/C(=C(/C1CCc2c(C=C1)ncn2C)N)/c1cccc(c1)Cl	PC-id_142243207	329.827	ZUQYJVSBBGFZNO-MSUUIHNZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-059635
c1(NC(=O)CCCCl)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_50025862,PC-id_5074396,MCULE-2541752614	329.842	HQZSGSWDFZQRBV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059636
c1(NC(=O)CCCl)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_3063139,PC-id_3396314,CoCoCo_3780048,MCULE-6161116575	329.842	UXEQPJJVOUZZJE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059637
c1(NC(=O)C(C)Cl)sc2c(CCCCC2)c1C(=O)OCC	MCULE-7896531656,EMOLS-id_37178432,PC-id_45496492	329.842	FCOSMKNRFHIRSI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059638
ClCC(C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_62728847	329.842	QGVDLECTWKAARR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059639
ClCCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_4307297	329.842	XNQTYPFJKWPEIQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059640
ClCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC(C)C	PC-id_4351896	329.842	FWCUGWGGIKJSSN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059641
ClCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCCC	PC-id_5171772	329.842	CKUVGBFGFUOOFJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059642
ClCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_4216825	329.842	BOIJQEPURKBHGT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059643
Cl[C@@H](C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_33678725	329.842	FCOSMKNRFHIRSI-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059644
Cl[C@H](C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_33678727	329.842	FCOSMKNRFHIRSI-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-059645
CCN(CC)/C(=CCl)/c1cc(C)c2-c1c(ccc(c2)C(C)C)C	CoCoCo_3807596,PC-id_2546135,ZINC22_16050424	329.907	RHUFUAKPZQZPSO-MOSHPQCFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059646
CCN(/C(=C/Cl)/c1cc(c2-c1c(C)ccc(c2)C(C)C)C)CC	CoCoCo_3807597,PC-id_2546137	329.907	RHUFUAKPZQZPSO-DEDYPNTBSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059647
CCN(C(=CCl)c1cc(c2-c1c(C)ccc(c2)C(C)C)C)CC	EMOLS-id_26189743,PC-id_4832917,MCULE-1491534645	329.907	RHUFUAKPZQZPSO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059648
Brc1c2-c(c(Br)c1C(=O)O)ccccc2	PC-id_16721002	329.972	AHOBWOGIAAROTL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059649
CCOC(=O)N1CCc2c(C(C1)C)c(c(s2)Br)B	SCHEMBL14470524	330.049	WHCZOEJJQCNGGU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059650
CCS/C(=C/C=CN)/C(=CC)/C1=NC2=C(O1)CC#CC(=C2)S	PC-id_148196331	330.086	KHGATYFYDUQLSC-HOOAEBELSA-N	00000000100000000111000000000010000000000000000000000000	31-01-059651
Cc1c(oc2c1C=CCCC2)C(=O)SC1=CCCC(=C1)C(=O)O	PC-id_163828502	330.093	OBQANDYYHSOYAN-UHFFFAOYSA-N	00000000100011000110000000000010000000000000000000000000	31-01-059652
CC1=NC2=C(S1)CCN(CC2)C(C)C3=CC4=NSN=C4C=C3	PC-id_164762723	330.097	MOIFYJJKVYUXOD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059653
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)SC(=N4)N	PC-id_154685573	330.097	XKNCCMQLRNUPIV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059654
CC1=NC2=C(S1)N(CCCC2)C(=O)C3=CC(=O)NC(=N3)C4CC4	MCULE-5930272008,EMOLS-id_320214745,PC-id_154789925	330.115	SNIQUZKEVXLFFV-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-059655
CC1=NCCC2=C(C(=N1)NC3=CC(=C(C=C3)OC)OC)N=CS2	PC-id_148810955	330.115	OPWZYRHXIVSPHX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-059656
C1COCCN2C1=NN=C2CNCC3=C(NN=C3)C4=CC=CS4	PC-id_164636931,EMOLS-id_320295885,MCULE-1754060440,ZINC22_1875391974	330.126	SOKANBYOIVSGLJ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-059657
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CN(N=C4C(C3)F)C	PC-id_154685799	330.131	YNOMORUMCCMZFW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059658
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=NN(C=C4C(C3)F)C	PC-id_154685582	330.131	NFVZTFWCWAVKHT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059659
C1CN(CCN2C1=CC(=N2)C(=O)N3CCC4=NNN=C4C3)C(=O)[O-]	PC-id_154467698	330.132	PMPYFSRSUQARIV-UHFFFAOYSA-M	00000000100010000101000000010010000000000000000000000000	31-01-059660
Cc1ccc(C)c(NC(=O)CSc2nnc3n2CCCCC3)c1	CHEMBL1509252,CoCoCo_3082150,PD111208,EMOLS-id_3315931,ZINC22_3442268,MCULE-8661885952,PC-id_2562332	330.15	UJKFGWXSDXHNKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059661
CCOC(=O)c1nn2c(c1)CN(CCC2)C(=O)CBr	PC-id_90461255,SCHEMBL16100677	330.178	KAVASLHEZHDYJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059662
C[C@@H]1CC2=C([C@@H](O1)C)N(N=C2C(=O)N3CCCN4C(=CN=N4)C3)C	PC-id_154797589	330.18	SRTDFGYLBVIOIV-MNOVXSKESA-N	00000000100010000101000000010010000000000000000000000000	31-01-059663
CC1CCC2=C(C=CN2)C=C1C(=O)NC3(CCCCC3)C(=O)OC	PC-id_164123386	330.194	YHNGJVIMUDSQPV-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-059664
CC(C)(C)OC(=O)N1CCCn2nc(CBr)cc2C1	EMOLS-id_317750763	330.221	RINOBLBSNLXIQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059665
Clc1cc(Cl)c(nc1Sc1nnc2n1CCCCC2)N	PC-id_102761235	330.236	QDMJVNUQHDFEEP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059666
Brc1sc2CCN(CC(=CC)c2c1)C(=O)OCC	PC-id_68317869	330.241	GZGKYHPUADCQCZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059667
CCOC(=O)N1CCc2c(/C(=C/C)/C1)cc(s2)Br	SCHEMBL12563516	330.241	GZGKYHPUADCQCZ-YCRREMRBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059668
O=C(c1noc2c1CCCCC2)NCc1onc(n1)C(F)(F)F	EMOLS-id_278165646	330.263	KTELASHBUZWVHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059669
O=C(N1CCCc2c(C1)cco2)NCc1onc(n1)C(F)(F)F	MCULE-7193934948,EMOLS-id_320256408	330.263	XXNRWKHPODJJOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059670
C1CCC(CC1)C2CCC(CC2)NCC3=NN=C4N3CCCCC4	PC-id_154743537	330.278	IRAQFUSOSTXCFF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059671
Brc1c2C(CNCCc2sc1C(=O)C(C)(C)C)C	SCHEMBL1182103,PC-id_24783111	330.284	YLLHJKDQDGDBST-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059672
BrCCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_113884242	330.284	UXXBORMLNRWQRA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059673
BrCC(CNC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_315655250,PC-id_113275309	330.284	KTBAWRDZKDKJHK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059674
BrCCCN(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_114189050	330.284	CVPKXYWUZFIMKF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059675
BrCCC(NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_83180349,EMOLS-id_315128388	330.284	ZHUHXAHJMTVYRX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059676
BrCCN(C(=O)c1cc2c(s1)CCCCC2)CC	EMOLS-id_315541300,PC-id_80660554	330.284	CMDXAXFBWANLPI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059677
BrCC(N(C(=O)c1cc2c(s1)CCCCC2)C)C	PC-id_104556205,EMOLS-id_315158520	330.284	PDPJUFPNPNIJDF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059678
BrCC(NC(=O)c1cc2c(s1)CCCCC2)(C)C	PC-id_113274085,EMOLS-id_259918140	330.284	MGUOJEAKHCQRFD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059679
BrC(CN(C(=O)c1sc2CCCCCc2c1)C)C	PC-id_80666236,EMOLS-id_314697365	330.284	FQQWLGGVRRWTOT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059680
CC(CCNC(=O)c1cc2c(s1)CCCCC2)Br	EMOLS-id_315650648,PC-id_113275193	330.284	VUWSIVJZJRURRI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059681
CCC(CNC(=O)c1cc2c(s1)CCCCC2)Br	PC-id_116245184	330.284	QKKKKGIWLUGIJU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059682
CCC(NC(=O)c1cc2c(s1)CCCCC2)CBr	PC-id_114307613,EMOLS-id_315011869	330.284	OTIMMDGEBAISAR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059683
BrCC1(CCC1)CSc1n2CCCCCc2nn1	EMOLS-id_315301177,PC-id_65008012	330.287	NKXDHUDHNFXUQK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059684
C1Cn2cc(nc2OC(C=N1)Cc1ccc(cc1)C(=O)O)[N+](=O)[O-]	PC-id_89580380	330.295	OSKHOWZZTDGJPA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-059685
C1C=NCC(n2cc(nc2O1)[N+](=O)[O-])Cc1ccc(cc1)C(=O)O	PC-id_89580378,SCHEMBL14966072	330.295	VRDHDOPEVQVWEL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-059686
COC(=O)c1sc(c2c1OCC(CO2)OC(=O)C)C(=O)OC	PC-id_20758017,SCHEMBL4984572	330.31	MTPDXOGPSAQJHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059687
Fc1c(cc(CCn2c3NC=NCC(=O)c3nc2)cc1)C(=O)OC	PC-id_10568399	330.314	DLMBANQZHLBWLB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-059688
Fc1cc(CCn2c3NC=NCC(=O)c3nc2)c(cc1)C(=O)OC	PC-id_10758775	330.314	YFEZITHQJYQPFX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-059689
COP(=O)(O)CCCCCCn1cnc2c1NC=NCC2O	PC-id_10853868,BindingDB_PC-id_10853868,CHEMBL36692	330.32	CYYUIPBMMJCJNF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-059690
P(=O)(OC)(O)CCCCCCn1c2C(O)CN=CNc2nc1	PC-id_10568401	330.32	RLOQAIINCSNQMT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-059691
O=C(N1CCCc2c(C1)cco2)Cc1scc(n1)C(F)(F)F	EMOLS-id_319116974	330.325	WMKTVGJWPNNTCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059692
NCc1c(Br)sc2c1CCCCCCCCCC2	PC-id_113626004	330.327	YMQXRFITIKMWCN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059693
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1csc(n1)C(F)(F)F	EMOLS-id_318802215	330.329	VOPARMJOMQXLDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059694
Cc1nc2c(s1)N(CCCC2)C(=O)c1[nH]nc(c1)C(F)(F)F	EMOLS-id_318973020	330.329	SRWCAMRCFDMLHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059695
Cc1nc2c(s1)N(CCCC2)C(=O)c1[nH]ncc1C(F)(F)F	EMOLS-id_319441457	330.329	WZLGRPRUMRHRMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059696
O=C(c1ncsc1C(F)(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_101676560	330.329	GEDLMIPTSKGPHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059697
O=C(c1scnc1C(F)(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_101822142	330.329	VGWJUNVTQGDRLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059698
O=C(N1CCCc2c(C1)c[nH]n2)Cc1scc(n1)C(F)(F)F	EMOLS-id_319611668	330.329	BCBZHLVOPUZBFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059699
CCOC(=O)c1cc(c2-c1ccc(cc2)OC(=O)C)C(=O)OCC	PC-id_101075866	330.332	OEEKXJICOAKBFZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059700
Cn1ncc2c1CCCN(C(=O)c1cc3c(F)ccc(F)c3[nH]1)C2	ZINC22_1875265958	330.332	ZHOQOXVUXXRUHD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-059701
FC(F)Oc1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1	EMOLS-id_44488167,MCULE-5046034235,PC-id_4247645	330.332	YXGNQIWFFRWNJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059702
FC(F)Oc1c(/C=C(c2n3CCCCCc3nn2)/C#N)cccc1	PC-id_51167035,CoCoCo_3456304	330.332	YXGNQIWFFRWNJY-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059703
FC(F)Oc1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1	PC-id_6047801,CoCoCo_3456303	330.332	YXGNQIWFFRWNJY-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059704
O(C(=O)c1c2-c(c(c1)C=CC(=O)c1ccc(cc1)C)ccccc2)C	PC-id_85274203	330.377	QMLXMQUSLULPSH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059812
FC(F)Oc1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1	EMOLS-id_30729470,MCULE-9353891395,PC-id_72084745	330.332	UKDAELFMJVEUHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059705
FC(F)Oc1ccc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1	PC-id_47005690	330.332	UKDAELFMJVEUHL-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059706
FC(F)Oc1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_7481088	330.332	UKDAELFMJVEUHL-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059707
o1c(C(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)cc2c1cccc2	PC-id_10958477	330.333	ZRBRNUIWKNXTMI-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-059708
CNC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OC)N)C(=O)OC	PC-id_141580544	330.335	YHHOTHODBAHZPC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059709
COc1cc(ccc1C(=O)O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_72587257,PC-id_121939143,MCULE-6925926360	330.335	RSFGTEBEDPQIOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059710
COc1ccc(c(c1)C(=O)O)NC(=O)c1noc2c1CCCCC2	PC-id_121771021,EMOLS-id_72130084,MCULE-4463851433	330.335	QEVGOLGPZPSMQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059711
COc1cc(ccc1NC(=O)c1noc2c1CCCCC2)C(=O)O	MCULE-3987135613,EMOLS-id_72589193,PC-id_121940114	330.335	NTZIBAZRJALDFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059712
O=c1n(NC=C(C(=O)OCC)C(=O)OCC)c2-c(c1)ccccc2	PC-id_10664158	330.335	UZRVIKOIHITCQF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059713
OC(=O)COc1ccc(cc1)NC(=O)c1noc2c1CCCCC2	MCULE-5385847033,EMOLS-id_72349672,PC-id_120537260	330.335	AAHSZUWQPPVKCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059714
OC(=O)COc1cccc(c1)NC(=O)c1noc2c1CCCCC2	MCULE-7768939647,PC-id_120523522,EMOLS-id_57609573	330.335	ORXXCOVYYORZIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059715
c1(C(=O)Nc2ccc(c(c2)N(=O)=O)OC)c2CCCCCc2[nH]n1	EMOLS-id_335038342,MCULE-2292504868	330.339	CZZBLQALRAIDBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059716
c1(C(=O)Nc2c(OC)ccc(c2)N(=O)=O)c2CCCCCc2[nH]n1	MCULE-8617075358,EMOLS-id_335051402	330.339	ZKZCPSGEBBKNRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059717
c1(C(=O)OC)cc2n(CCCN(C2)C(=O)c2cc(C)[nH]c(=O)c2)n1	PC-id_50950251,MCULE-9870258525,EMOLS-id_32372048,ZINC22_67460190	330.339	FOUIYADBTMULLG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059718
COc1ccc(cc1CCn1cnc2c1NC=[NH+]C[C@H]2O)C(=O)[O-]	GD-id_ZINC13807577	330.339	ASEYGGGSZBDRTA-GFCCVEGCSA-N	00000000100000110111000000000010000000000000000000000000	31-01-059719
COc1ccc(C(=O)O)cc1CCn1cnc2c1NC=NCC2O	CHEMBL37305,PC-id_10640157,BindingDB_PC-id_10640157	330.339	ASEYGGGSZBDRTA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-059720
COc1ccc(NC(=O)c2n[nH]c3CCCCCc23)c(c1)[N+](=O)[O-]	EMOLS-id_335025281,MCULE-4146718243	330.339	ZJMJOFFCLPWVDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059721
COC(=O)c1ccccc1OCCn1cnc2c1NC=NCC2O	PC-id_10664160,CHEMBL287602,BindingDB_PC-id_10664160	330.339	JQEOPWAIJSYWPB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-059722
n12CCCCCc1nn(CC(=O)Nc1ccc3c(OCO3)c1)c2=O	PC-id_41793722,ZINC22_11049196,SPECS-id_AT-687/NB01958,MCULE-6770623127,EMOLS-id_48461823	330.339	WAOZSURYNJCDOT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-059723
OC1c2ncn(c2NC=NC1)CCOc1cc(ccc1)C(=O)OC	PC-id_10735165	330.339	RNNYAWUEWZBKNA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-059724
O=C(Cn1cnc2c1COOCN2C)Nc1ccc(cc1)C(=O)C	SCHEMBL18175106,PC-id_122642933	330.339	DFXXCWANGMAYLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059725
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)C1C=CC=NC1=O	PC-id_77852144	330.339	SIQXPBRELFCIND-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-059726
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)c1c(=O)[nH]ccc1	PC-id_70744437	330.339	GUKIKEBURDFCKE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059727
O=C(N1CCCn2nc(cc2C1)C(=O)NO)c1ccc(OC)cc1	PC-id_58465762,SCHEMBL2522947	330.339	RGYOGAFXMTVNTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059728
O=C(NCc1cn2c(n1)COCC2)c1cc2c(o1)CCCNC2=O	ZINC22_2325800828	330.339	HTQCFAWIOUHXBN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059729
O=C(O)c1ccc(CO)c(CCn2cnc3c2NC=NCC3O)c1	CHEMBL284779,BindingDB_PC-id_10664161,PC-id_10664161	330.339	IBMFZDURGABUBJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-059730
c1(C(=O)N2CCn3c(CC2)nc(C(=O)N)c3)n[nH]c2CCOCc12	EMOLS-id_331136823,ZINC22_1875251420,MCULE-8095828432	330.342	IBHXAJKUIZBWAG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059731
Cc1cc(nc(n1)CNC(=O)c1nn2CC(CNC(=O)c2c1)O)C	PC-id_135101264	330.342	BRNUWWUKOUERBZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059732
O=C1CCCN1Cc1nnn2c1CN(C(=O)c1ccno1)CCC2	PC-id_97519575,ZINC22_96259492,EMOLS-id_44370536	330.342	ZSFAASQHYJOCNV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059733
O=C(c1ncc(nc1)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_120684871,EMOLS-id_72407708,MCULE-9704748287	330.342	JXVRSCRRJXQKED-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059734
O=C(Nc1cc2OCOc2cc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102016462	330.342	FQWVQZBHAOLYCN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-059735
O=C(NCc1n2CCCCCc2nn1)c1cc([N+](=O)[O-])c(N)cc1	PC-id_46698572	330.342	CDTPJJGJHFCWEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059736
O=C(NCc1n2CCCCCc2nn1)Nc1ccc([N+](=O)[O-])cc1	PC-id_78798423	330.342	JYNJKRZHSYATOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059737
O=C(NCc1n2CCCCCc2nn1)Nc1cc([N+](=O)[O-])ccc1	PC-id_51223390	330.342	LNJRDHVQTAZJRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059738
s1c2CCCCCc2c(c1NC(=C1N=NC(=C1)[N+](=O)[O-])[O-])C#N	PC-id_51412727	330.342	MVGBDAJIFSSXIY-UHFFFAOYSA-M	00000011100000000101000000000010000000000000000000000000	31-01-059739
C1CCc2c(CC1)onc2C(=O)NC1CCCC(C1)C(F)(F)F	MCULE-7740709018,PC-id_136533867,EMOLS-id_111824395	330.345	CFGUQQXFTGZOET-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059740
O=C(c1noc2c1CCCCC2)NC1CCC(CC1)C(F)(F)F	EMOLS-id_111824410	330.345	ACKDESWVISKSPO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059741
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1noc2c1CCCCC2	ZINC22_124955709	330.345	CFGUQQXFTGZOET-WDEREUQCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059742
O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1noc2c1CCCCC2	ZINC22_124955909	330.345	CFGUQQXFTGZOET-QWRGUYRKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059743
O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1noc2c1CCCCC2	ZINC22_124956067	330.345	CFGUQQXFTGZOET-GHMZBOCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059744
O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1noc2c1CCCCC2	ZINC22_124956256	330.345	CFGUQQXFTGZOET-MNOVXSKESA-N	00000000100010000101000000000010000000000000000000000000	31-01-059745
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CNC(=O)c1ccc(cc1)F	EMOLS-id_319440601	330.357	LYBBKNAOXIETKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059767
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(C(F)(F)F)NC1CC1	MCULE-9751446606,EMOLS-id_319863292	330.349	UQORJBZTPUQSJS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059746
CC(NC(=O)C1=CN(C)CC(c2c1[nH]nc2C(F)(F)F)(C)C)C	SCHEMBL19663851	330.349	SMOUCYXVPFULET-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-059747
CN1CC(C(C1)C(F)(F)F)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_320314216,MCULE-1570167880	330.349	AEIGQTNUUHFCMU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059748
O=C(C1CCn2c(CC1)nnc2)N1CCC(CC1)CC(F)(F)F	EMOLS-id_319948562,MCULE-1173265221	330.349	YAQZZIIJDOMGAV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059749
O=C(c1cnc2n1CCCCC2)NC1CC(C1)NCC(F)(F)F	EMOLS-id_318808571	330.349	FUFJSQLFXAYTNA-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-059750
O=C([C@@H]1CCc2nncn2CC1)N1CCC(CC(F)(F)F)CC1	ZINC22_879908969	330.349	YAQZZIIJDOMGAV-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059751
O=C([C@H]1CCc2nncn2CC1)N1CCC(CC(F)(F)F)CC1	ZINC22_879908970	330.349	YAQZZIIJDOMGAV-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059752
O=C(N1CCCc2c(C1)cnn2C)CC(C(F)(F)F)NC1CC1	EMOLS-id_319269634	330.349	GBWFOUIRNUIVRL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059753
Cc1cc(F)ccc1[C@@H](C)NC(=O)c1coc2c1C(=O)NCCC2	EMOLS-id_316970173,ZINC22_830336896,MCULE-5278627942,PC-id_136586784	330.353	JLZGZKASYCADQA-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059754
CCN(c1cccc(c1F)C)C(=O)c1coc2c1C(=O)NCCC2	MCULE-8677511229,PC-id_136570588,EMOLS-id_316984310	330.353	OOPXQIYLUHETCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059755
CCOc1ccc(c(c1)F)N(c1c[nH]c2c1C(=O)CCCC2)C=O	SCHEMBL7399693,PC-id_88137547	330.353	FZRFOJQHVPPYSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059756
CCOc1ccc(c(c1)F)NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL7364226,PC-id_53725674	330.353	CKIGCFHTDPSXFO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059757
CCOC(=O)c1cc(c2n1CCCCN2)C(=O)c1ccc(cc1)F	PC-id_102368531	330.353	LSIVHEBCFYAMAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059758
Fc1cc(OCC2CC2)cnc1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_318783397	330.353	WCIGSBYBHXDFMM-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-059759
CCOC(=O)c1sc(c2c1OCCOCCO2)C(=O)OCC	PC-id_101801836	330.354	PZWXZQBQQVFSOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059760
CCOC(=O)c1sc(c2c1OC(CO)CCO2)C(=O)OCC	PC-id_140278272	330.354	QRQMUSZBVHSTBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059761
O=Cc1sc(c2c1OCCOCCOCCOCCO2)C=O	PC-id_102395509	330.354	SPRVBWCNAXUEGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059762
c12C(=O)NCC(C)(C)Cc1[nH]c(C(=O)Nc1ccc(cc1F)C)n2	ZINC22_65532947,MCULE-6373594259,EMOLS-id_32437390,PC-id_50984873	330.357	IWCUWKODPIXMFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059763
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(ccc1F)NC(=O)C	EMOLS-id_319871020	330.357	KHMZUFIMNQUNPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059764
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1)NC(=O)C)F	EMOLS-id_319527338	330.357	ULDBHLQRROHPEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059765
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CNC(=O)c1cccc(c1)F	EMOLS-id_319028077	330.357	VCZZHMJQOWKJAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059766
C=CCOC[C@@H]1CN(C(=O)c2ccncc2F)Cc2ccnn2C1	PC-id_97463458,ZINC22_96189039	330.357	SIXZVSSXPJHZCT-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059768
C=CCOC[C@H]1CN(C(=O)c2ccncc2F)Cc2ccnn2C1	ZINC22_96189038,PC-id_97463457	330.357	SIXZVSSXPJHZCT-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059769
CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)F	MCULE-5642802600,EMOLS-id_32633006,PC-id_53034539	330.357	FTLLOUWZLPCBPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059770
CCOC(=O)c1n(C)cc2c1CC[C@@H](NS2(=O)=O)C(=O)OC	PC-id_140762647	330.357	NHXXLGYDEDBWPM-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059771
CCOC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(=O)OC	SCHEMBL18358170	330.357	NHXXLGYDEDBWPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059772
CC(=O)Nc1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101670191	330.357	ZIEIMDABHQXNJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059773
CC(=O)Nc1cc(ccc1F)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670194	330.357	OCZAGQLWUVOQLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059774
COC(=O)C(c1c2CCCCCn2cc1[N+](=O)[O-])S(=O)(=O)C	PC-id_137632848	330.357	VKIDJVZZROOGRS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-059775
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC)cc1	PC-id_50797955	330.357	ZNHCOOQHRNYGDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059776
Fc1cnccc1C(=O)N1CC(COCC=C)Cn2nccc2C1	EMOLS-id_44326967	330.357	SIXZVSSXPJHZCT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059777
Cc1cc2c(s1)N(CCCC2=O)C(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_137387815,SCHEMBL20618357	330.358	WTZLNQCCPKHOLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-059778
[O-][NH+](O)c1ccc(Sc2ccc3-c2ccccc3)c(c1)[NH+]([O-])O	CNP0458062	330.358	NDMKKIXBDHAMSO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059779
O=C(NC1CCc2c1ccc(c2)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102172961	330.36	BGJDMLAPIDLFSQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-059780
s1c2CCCCCc2c(c1N=CC1C(=O)NC(=O)NC1=O)C#N	PC-id_23911601	330.362	XLIYRPBTYWJJHN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059781
s1c2C(Cn3c4c(oc3=O)cccc4)CC(=O)NCc2nc1N	PC-id_50977098	330.362	GYUCGABHNOUPGZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059782
n12ccsc1ncc(NC(=O)c1cn3c(CCNCC3)n1)c2=O	EMOLS-id_330453013,ZINC22_1857721553,MCULE-6837493293	330.365	VHHSUOIOVDUTHM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059783
O=C(N1CCCn2c(C1)cnn2)Nc1noc(c1)c1cccs1	EMOLS-id_319192564	330.365	HEHJUTIKWRPJNQ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-059784
S(c1n2CCCCCc2nn1)c1nc2n(c1[N+](=O)[O-])cccc2	PC-id_18126004	330.365	ZRZXINYMRJZTBH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059785
O=C(c1csnn1)N1CCCn2c(nnc2Cn2ccnc2)C1	EMOLS-id_313731797,ZINC22_1565555254	330.368	DFCOSSGLCVKVSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059786
CC1CN(Cc2sc(nc2C(F)(F)F)C)Cc2c(C1)[nH]nc2	EMOLS-id_319569324	330.372	XVIOGEROTXDBQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059787
FC(c1ccc(s1)CNCc1nnc2n1CCCCC2)(F)F	MCULE-8700111420,EMOLS-id_318370215	330.372	FFYBHPQAQIPOSW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-059788
FC(c1cscc1CNCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318169396,MCULE-2894606145	330.372	YQJWMIBNUDEIDA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-059789
FC(c1sccc1CNCc1nnc2n1CCCCC2)(F)F	MCULE-6406022709,EMOLS-id_318260036	330.372	TUFNDSCXVYEHOG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-059790
CCCc1cc(c2-c1ccc(cc2)CC(=O)OC)OC(=O)OCC	PC-id_17776047,SCHEMBL8529260	330.375	ADLJFKIUYZDDIA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059791
CCCCCOC(=O)c1c(OC)c(c2-c1ccccc2)C(=O)OC	PC-id_141346769	330.375	YLNWYVSEUKNMLL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059792
CCCCOC(=O)c1c(OC)c(c2-c1ccccc2)C(=O)OCC	PC-id_141346811	330.375	IPLTWHMURLXVTO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059793
CCCCOC(=O)c1c(OCC)c(c2-c1ccccc2)C(=O)OC	PC-id_141346790	330.375	UAJHAOKBYXPBPA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059794
CCCOc1cc(c2-c1ccc(cc2)CC(=O)OC)C(=O)OCC	PC-id_141580597	330.375	QDJHIKXQWTZQDO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059795
CCCOc1c(C(=O)OCC)c2-c(c1C(=O)OCC)ccccc2	PC-id_141346782	330.375	CNLDMUVNQBOFKU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059796
CCCOC(=O)c1c(OC)c(c2-c1ccc(cc2C)C)C(=O)OC	PC-id_141346780	330.375	GZEVHBIJPCBSFE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059797
CCCOC(=O)c1c(OC)c(c2-c1ccccc2)C(=O)OCCC	PC-id_141346808	330.375	CDYVNEKALCVXLB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059798
CCCOC(=O)c1c(OCC)c(c2-c1ccccc2)C(=O)OCC	PC-id_141346765	330.375	MLDQWRKBBSMCKV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059799
CCOC(=O)c1cc(c2-c1ccccc2OCC)C(=O)CC(O)C	PC-id_102528686	330.375	VRPAIMVYFTWFIF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059800
CCOC(=O)c1c(OCC)c(c2-c1ccc(cc2C)C)C(=O)OC	PC-id_141346789	330.375	HGAMVBQKDBEXDA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059801
O(c1c2-c(c(CCCC)ccc1)c(c(c2)C(=O)OC)C(=O)OC)C	PC-id_85657440	330.375	AFPOEMOWCYIGAI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059802
Cc1cc(C)c2-c(c(c1)C)c(cc2S(=O)(=O)O)S(=O)(=O)O	PC-id_22003025,SCHEMBL7782769	330.377	AIXGBTRDHYEXRQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059803
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc2c(o1)c(F)ccc2	EMOLS-id_318833859	330.377	IJTHTIRCIYQKBI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059804
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(c2c1cco2)F	EMOLS-id_318845819	330.377	XQHZTOOFMYSCEI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059805
Fc1cc2ccoc2c(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318806628	330.377	CGBLOGWEUZVLQP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059806
Fc1ccc2c(c1)c(co2)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319845006,MCULE-5422309801	330.377	ZVFOBMGVVLOHCG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059807
o1c(C(=O)c2c3-c(c(c2)CC)ccccc3)cc2c1ccc(OC)c2	PC-id_10936419	330.377	DESMXDMTGZPHBS-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-059808
o1c(C(=O)c2c3-c(c(c2)CC)ccccc3)cc2c1cc(OC)cc2	PC-id_11012943	330.377	HPXOZAFAIHSNIF-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-059809
o1c(C(=O)c2c3-c(c(c2)CC)ccccc3)cc2c1c(OC)ccc2	PC-id_11121067	330.377	JQKBNDMTTUDQLY-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-059810
O(C(=O)c1c2-c(c(c1)/C=C/C(=O)c1ccc(cc1)C)ccccc2)C	PC-id_10806313	330.377	QMLXMQUSLULPSH-OUKQBFOZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059811
c1ccc2-c(c(cc2)/C(=C/2C=Cc3ccccc[c+]23)/[C]2[CH][CH][CH][CH]2)cc1	PC-id_135731793	330.421	IPBBNKWHYBHLNN-SHHOIMCASA-N	00000011100000000110000000000010000000000000000000000000	31-01-060181
O(C(=O)c1c2-c(c(c1)C(=O)/C=C/c1cc(ccc1)C)ccccc2)C	PC-id_10616414	330.377	NHBANPDGAQDBGQ-VAWYXSNFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059813
O(C(=O)c1c2-c(c(c1)C(=O)/C=C/c1ccc(cc1)C)ccccc2)C	PC-id_10616415	330.377	URAVACYKMXWAGG-OUKQBFOZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059814
O(C(=O)c1c2-c(c(c1)C(=O)/C=C/c1c(cccc1)C)ccccc2)C	PC-id_10853887	330.377	KPOOUIUHFJDYHS-OUKQBFOZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059815
O(C(=O)c1c2-c(c(c1)C(=O)C=Cc1cc(ccc1)C)ccccc2)C	PC-id_85206746	330.377	NHBANPDGAQDBGQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059816
O(C(=O)c1c2-c(c(c1)C(=O)C=Cc1ccc(cc1)C)ccccc2)C	PC-id_85206747	330.377	URAVACYKMXWAGG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059817
O(C(=O)c1c2-c(c(c1)C(=O)C=Cc1c(cccc1)C)ccccc2)C	PC-id_85290009	330.377	KPOOUIUHFJDYHS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-059818
Cc1ccc(o1)C1COCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_111422362	330.378	CGMJXIPWRGSMAF-UHFFFAOYSA-N	00000000101010000101100000000010000000000000000000000000	31-01-059819
CCCCOc1cc(ccc2-c1ccc2CC(=O)N)CC(=O)NO	SCHEMBL8335267,PC-id_17776127	330.378	MRELYDWKBDDRKT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059820
CCCCOc1cc(ccc2-c1cc(c2CC(=O)N)C)C(=O)NO	SCHEMBL8335269,PC-id_54256285	330.378	RAHNZCOGEGTJFR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059821
CCOC(=O)c1c(oc2c1ccccc2=NCCN1CCCC1)O	PC-id_135511939	330.378	XGPADKNZIFINNX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059822
o1c2-c(ccccc2NCCN2CCCC2)c(c1=O)C(=O)OCC	PC-id_10471832	330.378	KRVXAEVSOVZCGW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059823
O(C(=O)/C(=C/C(=O)OC)/N(C1Cc2n(ccc2C=CC1)C=C)C)C	PC-id_5373554	330.378	OXFYIVHBYXHAGR-VBKFSLOCSA-N	00000000100000000110000000000010000000000000000000000000	31-01-059824
O(C(=O)C(=CC(=O)OC)N(C1Cc2n(ccc2C=CC1)C=C)C)C	PC-id_593975	330.378	OXFYIVHBYXHAGR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-059825
O(C(=O)/C(=C(NC)/C(=O)OC)/C1Cc2n(ccc2C=CC1)C=C)C	PC-id_21160664	330.378	RDWBAIZTDBAIQM-NXVVXOECSA-N	00000000100000000110000000000010000000000000000000000000	31-01-059826
O(C(=O)C(=C(NC)C(=O)OC)C1Cc2n(ccc2C=CC1)C=C)C	PC-id_73746781	330.378	RDWBAIZTDBAIQM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-059827
s1c2CCCCCc2c(c1NC(=O)C=Cc1occc1)C(=O)[O-]	PC-id_3303641	330.378	OBEFKLGRNKGNHE-UHFFFAOYSA-M	00000000101000000100000000000010000000000000000000000000	31-01-059828
s1c2CCCCCc2c(c1NC(=O)/C=C/c1occc1)C(=O)[O-]	PC-id_5557971	330.378	OBEFKLGRNKGNHE-CMDGGOBGSA-M	00000000101000000100000000000010000000000000000000000000	31-01-059829
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1F)nc[nH]2	EMOLS-id_319794228	330.38	MTWYEBNTWDGFMU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059830
Cc1nc2c(s1)N(CCCC2)C(=O)c1c(F)ccc2c1nc[nH]2	EMOLS-id_319614778	330.38	RTJIJZSVBFAREF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059831
Cc1nc2c(s1)N(CCCC2)C(=O)c1ncc2n1cccc2F	EMOLS-id_319205898	330.38	ZDOWGNUJUJJNFH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-059832
COC(=O)c1cc(c2-c1ccccc2)C(c1[nH]ccc1)c1[nH]ccc1	PC-id_101759676	330.38	YDAOYUZXWJJUBM-UHFFFAOYSA-N	00000010110000000110000000000010000000000000000000000000	31-01-059833
O=C1c2c([nH]c(Cc3ccc(cc3)c3ccccc3)c2)C(=O)NCC1	PC-id_56970238	330.38	ZEXAFMCAHKLNIP-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-059834
O=C1CCNC(=O)c2c1ccn2Cc1ccc(c2ccccc2)cc1	CHEMBL1796973,PC-id_46946011	330.38	YRIPYXMAUMAQQD-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-059835
O=c1n(c2-c(c1Cc1c3-c(n(c1=O)C)ccccc3)ccccc2)C	PC-id_85862519	330.38	ORSZUAATMJKHMM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-059836
c12CN(CCCn1nc(CO)c2)C(=O)CCn1c(C)cccc1=O	EMOLS-id_55625130,MCULE-7271883541,PC-id_91767937	330.382	GSQWURYAZCZDPN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059837
C1CN(Cc2cc(nn2C1)C(C1CC1)O)C(=O)NCc1ccco1	EMOLS-id_55611435,PC-id_91763077,MCULE-9208761190	330.382	LRELUISAQCJGNC-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-059838
Cc1ccc(C(=O)N2CCCn3nnc(COCC4CC4)c3C2)o1	EMOLS-id_44369472,PC-id_97517033,ZINC22_96256077	330.382	PKRQRPBTJQANSF-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-059839
Cc1cc(C(=O)N2Cc3ccnn3C[C@H](COCC3CC3)C2)no1	ZINC22_96189116,PC-id_97463531	330.382	PWTAALQCRUNTLC-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059840
Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](COCC3CC3)C2)no1	ZINC22_96189117,PC-id_97463532	330.382	PWTAALQCRUNTLC-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059841
Cc1cc(C(=O)N2Cc3nccn3C[C@H](COCC3CC3)C2)no1	PC-id_97462357,ZINC22_96187908	330.382	MKSJIZZWTXCZBD-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059842
Cc1cc(C(=O)N2Cc3nccn3C[C@@H](COCC3CC3)C2)no1	ZINC22_96187909,PC-id_97462358	330.382	MKSJIZZWTXCZBD-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059843
Cc1cc(no1)C(=O)N1CC(COCC2CC2)Cn2ccnc2C1	EMOLS-id_44325941	330.382	MKSJIZZWTXCZBD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059844
Cc1cc(no1)C(=O)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_44327049	330.382	PWTAALQCRUNTLC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059845
Cc1ccoc1C(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97517030	330.382	SSMLWSIEMNYRID-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-059846
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCn1c(C)cc(cc1=O)O	EMOLS-id_319879695	330.382	LESUILZXVIGXBE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059847
Cc1ncoc1C(=O)N1Cc2ccnn2CCC1COCC1CC1	EMOLS-id_313822498	330.382	KSBRGJPYMGIESL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059848
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1COCC1CC1	ZINC22_585097392	330.382	KSBRGJPYMGIESL-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059849
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1COCC1CC1	ZINC22_585097393	330.382	KSBRGJPYMGIESL-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-059850
Cc1noc(n1)C1CCCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_98835726	330.382	RLMIXXOGWXYFMY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059851
Cc1noc(n1)C1CCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111825273	330.382	WGQIPXSRANZGJR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059852
Cc1noc(n1)C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111420802	330.382	XTZFIYMKQWUOAS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059853
Cc1occc1C(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-6044893198,EMOLS-id_50586275,PC-id_91910908	330.382	JDHDGROMBOURAI-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-059854
c1ccc2-c(c(cc2)/C(=C/C=Cc3ccccc[c+]23)/[C]2[CH][CH][CH][CH]2)cc1	PC-id_137324539	330.421	IPBBNKWHYBHLNN-LCUIJRPUSA-N	00000011100000000110000000000010000000000000000000000000	31-01-060182
CCc1ccc(cc1)NC(=O)C(C)n1cnc2c1COOCN2C	SCHEMBL15384401,PC-id_89901286	330.382	GUASIXNKNKVFKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059855
CCC1N(CCCn2c1ncc2)C(=O)c1ccc(nc1OC)OC	MCULE-1401853469,EMOLS-id_55717340	330.382	FMSYFXIZFVOQIX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059856
CCCn1nc(c(c1)CNC(=O)c1coc2c1C(=O)NCCC2)C	EMOLS-id_319267883	330.382	JHSFQEHDKLFNLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059857
CCOc1ccc(cc1CO)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319698469	330.382	IQAOKJPWVAURND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059858
CCOc1ccc(cc1NC(=O)C1CCn2c(CC1)nnc2)OC	EMOLS-id_257965288,MCULE-7005748502	330.382	JCMJZODSYNQEJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059859
CCOc1ccccc1NC(=O)Cn1nc2CCCCCn2c1=O	ZINC22_9450508,MCULE-2296037227,EMOLS-id_11880970,CoCoCo_4406374,PC-id_17395522,SPECS-id_AT-687/NB01946	330.382	BMBPADOAKDQKSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059860
CCOc1ccc(NC(=O)Cn2c(=O)n3c(CCCCC3)n2)cc1	CoCoCo_4406398,EMOLS-id_11923208,ZINC22_9691628,MCULE-9945846707,PC-id_17408120	330.382	DFVBYEBZPWFEJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059861
CC(Oc1cc(O)ccc1NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319854129	330.382	GTULRXWECDUWNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059862
CCOCC1CN(Cc2cncn2C1)C(=O)c1cc(on1)C1CC1	EMOLS-id_49228749	330.382	MNNKWUOTBWLVNC-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-059863
CCOC[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2cncn2C1	PC-id_97474702,ZINC22_96206540	330.382	MNNKWUOTBWLVNC-LBPRGKRZSA-N	00100000100000000101100000000010000000000000000000000000	31-01-059864
CCOC[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2cncn2C1	ZINC22_96206541,PC-id_97474703	330.382	MNNKWUOTBWLVNC-GFCCVEGCSA-N	00100000100000000101100000000010000000000000000000000000	31-01-059865
CCOCC(=O)N1Cc2ccnn2C[C@H](COc2cccnc2)C1	ZINC22_96189142,PC-id_97463554	330.382	PDWBIHSSXYLSFX-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059866
CCOCC(=O)N1Cc2ccnn2C[C@@H](COc2cccnc2)C1	ZINC22_96189143,PC-id_97463555	330.382	PDWBIHSSXYLSFX-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059867
CCOCC(=O)N1Cc2nccn2C[C@H](COc2cccnc2)C1	PC-id_97462481,ZINC22_96188034	330.382	YDXFEMZBOXJEBZ-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059868
CCOCC(=O)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	PC-id_97462484,ZINC22_96188037	330.382	YDXFEMZBOXJEBZ-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059869
CCOCC(=O)N1CC(COc2cccnc2)Cn2ccnc2C1	EMOLS-id_44326007	330.382	YDXFEMZBOXJEBZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059870
CCOCC(=O)N1CC(COc2cccnc2)Cn2nccc2C1	EMOLS-id_44327085	330.382	PDWBIHSSXYLSFX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059871
Cn1cc(c(n1)CNC(=O)c1coc2c1C(=O)NCC(C2)(C)C)C	MCULE-9159916778,EMOLS-id_320220625	330.382	INYHBKBQIONQAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059872
Cn1nc2CCC(CCn2c1=O)NC(=O)COCc1ccccc1	MCULE-7390784968,PC-id_91922669,EMOLS-id_50586107	330.382	QTEUCWZVZIMKGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059873
CN(C(=O)Cn1nc2n(c1=O)CCCCC2)Cc1ccccc1O	PC-id_87020054	330.382	KUAFXQYVMNBUDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059874
COc1ccccc1CCC(=O)N1CCc2nn(C)c(=O)n2CC1	EMOLS-id_50585883,MCULE-7783814272,PC-id_91910625	330.382	LXVATLWQYSGXSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059875
COc1ccccc1CCC(=O)NCc1nnc2n1CCOCC2	MCULE-3865982984,EMOLS-id_320296141,ZINC22_1614994826	330.382	QDGXLOUOEMDWHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059876
COc1ccccc1CNC(=O)CC1CCn2c(CC1)n[nH]c2=O	MCULE-2786973968,EMOLS-id_239609055	330.382	GVCFNVDLEOZYMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059877
COc1ccc(cc1OC)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319600963	330.382	WTLGFTUBLWFQRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059878
COc1ccc(cc1)OCCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320323867,MCULE-1304842660	330.382	YQNGWWZBEQCVIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059879
COc1ccc(c(c1)OC)N(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316765699	330.382	DSBIRSNWFXZECQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059880
COc1ccc(cc1OC)N(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_320202518,MCULE-5644538481	330.382	USIMHWFOIXMTKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059881
COc1ccc(C)cc1NC(=O)Cn1nc2CCCCCn2c1=O	MCULE-7377213475,ZINC22_9450502,PC-id_17395524,SPECS-id_AT-687/NB01964,EMOLS-id_11880968,CoCoCo_4406365	330.382	ARAHLFQFIKSVGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059882
COc1cccc(C(=O)NCc2nnc3n2CCCCC3)c1OC	PC-id_45799575,ZINC22_44890104,MCULE-8912779271,EMOLS-id_30189246	330.382	BDGSIYVTSLRGCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059883
COc1cc(CCNC(=O)C2CCn3c(CC2)nnc3)ccc1O	MCULE-4608794330,EMOLS-id_320336660	330.382	OJWJRMSNBTXLGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059884
COc1ccc(CNC(=O)Cn2c(=O)n3c(CCCCC3)n2)cc1	EMOLS-id_11923210,MCULE-2621539947,CoCoCo_4406402,ZINC22_9691629,PC-id_17408135,SPECS-id_AT-687/NB01974	330.382	UPUYNTXWLZSMHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059885
COc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1OC	PC-id_46447225,MCULE-6844424756,ZINC22_46729740,EMOLS-id_30678236	330.382	QZFLSHSUGYCAOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059886
COc1ccc(C(=O)NCc2n[nH]c3c2CCCCC3)c(OC)n1	MCULE-6468537669,ZINC22_670459464,EMOLS-id_222778892	330.382	GSTPEECJICRSQZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059887
COc1cc(CNCc2nnc3n2CCCCC3)cc2c1OCO2	ZINC22_71831326,MCULE-7958870447,PC-id_56827832	330.382	YJXGYHPGRNDPDR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-059888
COc1ccc(NC(=O)N2CCCc3c(OC)nn(C)c3C2)cc1	ZINC22_96254485,EMOLS-id_44366658,PC-id_97515535	330.382	RYNZEWCBXBLGSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059889
COc1cc(OC)ccc1CN1C(=O)C(N)CCn2c1cc(n2)C	SCHEMBL18367118	330.382	XQRVONVVQBKVCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059890
COc1cc(OC)cc(c1)N(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316730104	330.382	WSGJRIYZXQCRIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059891
COc1cn(C)c(cc1=O)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318925766	330.382	OMTYPQKUHCVNGJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059892
COc1c[nH]c(cc1=O)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319755940	330.382	PVOYAZQKLBWCMT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059893
COCc1nnc2CC(C)N(CCn12)C(=O)COc1ccccc1	EMOLS-id_313823274	330.382	NFPDWPHSOKCCJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059894
COCc1nnc2n1CCN(C(=O)COc1ccccc1)[C@H](C)C2	ZINC22_585097720	330.382	NFPDWPHSOKCCJZ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059895
COCc1nnc2n1CCN(C(=O)COc1ccccc1)[C@@H](C)C2	ZINC22_585097721	330.382	NFPDWPHSOKCCJZ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059896
COCCC(=O)N1Cc2ccnn2C[C@H](COc2cccnc2)C1	PC-id_97463552,ZINC22_96189140	330.382	XMFOXYXVAVNXJX-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059897
COCCC(=O)N1Cc2ccnn2C[C@@H](COc2cccnc2)C1	ZINC22_96189141,PC-id_97463553	330.382	XMFOXYXVAVNXJX-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059898
COCCC(=O)N1Cc2nccn2C[C@H](COc2cccnc2)C1	PC-id_97462475,ZINC22_96188028	330.382	CTQRLGCQWOWNEX-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059899
COCCC(=O)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	ZINC22_96188030,PC-id_97462477	330.382	CTQRLGCQWOWNEX-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059900
COCCC(=O)N1CC(COc2cccnc2)Cn2ccnc2C1	EMOLS-id_44326005	330.382	CTQRLGCQWOWNEX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059901
COCCC(=O)N1CC(COc2cccnc2)Cn2nccc2C1	EMOLS-id_44327083	330.382	XMFOXYXVAVNXJX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059902
COCCNC(=O)c1ccc2CCN(CCn12)C(=O)c1cc[nH]c1	ZINC22_1565545054,EMOLS-id_313777089	330.382	CLMXWAVCZDFDED-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-059903
COCCOc1ccccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278126249	330.382	YFLBGTNXLRDOFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059904
COCCOc1ncccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320059800,MCULE-8846007510	330.382	FKKLBWDKBAUVHL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059905
COCCOc1nccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320094626,MCULE-2830913563	330.382	NEUFVVGIPYFOOS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059906
COCC(=O)N1Cc2ccnn2C[C@H](COCc2ccccn2)C1	ZINC22_96189184,PC-id_97463593	330.382	XWWBWFXWQNLCNZ-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059907
COCC(=O)N1Cc2ccnn2C[C@@H](COCc2ccccn2)C1	ZINC22_96189185,PC-id_97463594	330.382	XWWBWFXWQNLCNZ-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059908
COCC(=O)N1Cc2cncn2C[C@H](COCc2ccncc2)C1	ZINC22_96208319,PC-id_97476446	330.382	AQZCQGUNKDCQIN-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059909
COCC(=O)N1Cc2cncn2C[C@@H](COCc2ccncc2)C1	ZINC22_96208320,PC-id_97476447	330.382	AQZCQGUNKDCQIN-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059910
COCC(=O)N1CC(COCc2ccccn2)Cn2nccc2C1	EMOLS-id_44327139	330.382	XWWBWFXWQNLCNZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059911
COCC(=O)N1CC(COCc2ccncc2)Cn2cncc2C1	EMOLS-id_49231485	330.382	AQZCQGUNKDCQIN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059912
COCC(=O)Nc1ccc(OCc2nnc3n2CCCCC3)cc1	PC-id_121578493,MCULE-1539170319,ZINC22_278592722,EMOLS-id_76042284	330.382	HAPWSEUJRUKGRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059913
COCOc1ccc(NC(=O)N2CCCc3c(cnn3C)C2)cc1	MCULE-4581181762,EMOLS-id_177323915,ZINC22_585119642	330.382	NXPRWJOLUWGQKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059914
O1CCNC(=O)[C@@H](CCn2nnc(c2)C1)Cc1ccc(OC)cc1	PC-id_71758912	330.382	YNLWSYJABQKNEE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059915
O1CCNC(=O)[C@H](CCn2nnc(c2)C1)Cc1ccc(OC)cc1	PC-id_71759161	330.382	YNLWSYJABQKNEE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059916
O1Cn2nncc2CC[C@H](Cc2ccc(OC)cc2)C(=O)NCC1	PC-id_71759838	330.382	WNWTXNKEOJRPRF-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059917
O1Cn2nncc2CC[C@@H](Cc2ccc(OC)cc2)C(=O)NCC1	PC-id_71760384	330.382	WNWTXNKEOJRPRF-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059918
OCc1ccccc1CNC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_110908946	330.382	NATYCNOMXGKZAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059919
OCc1ccc(c(c1)NC(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_109892709	330.382	OQSGBMSMNRKWFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059920
O=C(c1ccco1)N1CCc2ncc(CN3CCOCC3)n2CC1	EMOLS-id_44328743,PC-id_97467050,ZINC22_96196906	330.382	SXUODEICBQSYLF-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-059921
O=C(C1(CCOCC1)Cc1cnn[nH]1)N1CCCc2c(C1)cco2	EMOLS-id_319427862	330.382	XYSSGKDDUNEYNC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059922
O=C(c1cocn1)N1Cc2ccnn2C[C@@H](OCC2CCCC2)C1	ZINC22_247850081	330.382	ILSUHOSNELNVGK-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059923
O=C(c1cocn1)N1Cc2ccnn2C[C@H](OCC2CCCC2)C1	ZINC22_247850087	330.382	ILSUHOSNELNVGK-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059924
O=C(c1noc2c1CCCCC2)N1CCC(CC1)Cc1ncon1	EMOLS-id_320126513,MCULE-9017040297	330.382	KORDVRNCLNTHTI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-059925
O=C(c1noc2c1CCCCC2)N1CCCCCC1c1ncon1	EMOLS-id_111319347	330.382	VFDFUTOQVPWNDY-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-059926
O=C(c1noc2c1CCCCC2)Nc1ccnn1CC1CCOC1	EMOLS-id_100972456	330.382	DKFLIHHNFPRZIM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-059927
OCC(c1ccccc1)NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_110001178	330.382	LDVHLOAFXKAQFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059928
OCC(c1ccccc1OC)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316634468	330.382	GJSFPMZWLCBQJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059929
OCCCOc1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319867785,MCULE-7179696411	330.382	YUBKYNFMBSFWHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059930
O=C(C(n1cccn1)C)N(CC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99370699	330.382	DLJYIRCCQAQDIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059931
OCCOCc1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316646992	330.382	MSRCONVOFWBVAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059932
O(CC(=O)NCc1n2CCCCCc2nn1)c1ccc(OC)cc1	PC-id_51266247	330.382	XNJJJBRWYIBWDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059933
O(CC(=O)NCc1n2CCCCCc2nn1)c1c(OC)cccc1	PC-id_51266250	330.382	OYOXAFSKRWDOTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059934
O=C(N1CCCc2c(C1)cco2)Cc1nnc([nH]1)C1CCOCC1	EMOLS-id_319395434	330.382	JEHRVBCIERYKSW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059935
O=C(N1CC(Cn2c(C1)cc(c2)C(=O)NO)(C)C)c1n(ccc1)C	SCHEMBL12210728,PC-id_58465713	330.382	AZXXUPYVPBXXAH-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-059936
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O=C(N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O)NCc1ccco1	PC-id_100016595	330.382	LRELUISAQCJGNC-MRXNPFEDSA-N	00100000101000000101000000000010000000000000000000000000	31-01-059938
O=C(Nc1cc(C2CCOCC2)[nH]n1)c1noc2c1CCCCC2	ZINC22_97103207,PC-id_86803135	330.382	ZZSPEOZCAMWZAH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-059939
O=C(NCc1n2CCCCCc2nn1)c1cc(OC)cc(OC)c1	PC-id_46524809	330.382	TVHIPGHIJJCCRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059940
O=C(NCc1n2CCCCCc2nn1)c1c(OC)cc(OC)cc1	PC-id_30547197	330.382	ZGOLDUNZXYOBGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-059941
O=C1CN(Cc2ccccc2)C(=Nc2c1nc[nH]2)Cc1ccccc1	SCHEMBL6450351,PC-id_69784854	330.383	MXRUCGHPRPNXBK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-059942
c12CCN(CCc1[nH][nH]c2=O)C(=O)CCc1cc2n(CCNC2)n1	ZINC22_72477913,MCULE-8729138005,EMOLS-id_43171538,PC-id_70779253	330.385	QYNVGTJDQMFRIL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059943
c12CN(CCCn1nc(CNc1nnc(C3CCC3)o1)c2)C(=O)C	ZINC22_95364380,EMOLS-id_46615882,MCULE-9907378451,PC-id_72870279	330.385	OYAKFXJFCURETF-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-059944
c12CN(CCCn1nc(CO)c2)C(=O)Cc1c(C)nc(nc1C)N	MCULE-8973370948,EMOLS-id_55605854,PC-id_91761061	330.385	CBYFQPJSTIBDAY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059945
c1(CN(C)C(=O)Cc2cc(=O)[nH]c(N)n2)c2CCCCCc2[nH]n1	ZINC22_215472664,PC-id_136288683,EMOLS-id_49877776,MCULE-7828115524	330.385	IIHIKQNNBAMTLQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059946
c1(C(=O)NCCn2c(C)cc(nc2=O)C)cn2c(CCNCC2)n1	ZINC22_1857724149,EMOLS-id_330462247,MCULE-3815846463	330.385	NTDZORMZZSZBRN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059947
c1(nnc2CCCCCn12)C(=O)N1CCC[C@H]1c1onc(CC)n1	MCULE-2508506844,PC-id_118782673,ZINC22_426549163,EMOLS-id_82727023	330.385	LZJRASBWOWBGAJ-NSHDSACASA-N	00000010100000000101100000000010000000000000000000000000	31-01-059948
Cc1ccnc(O[C@H]2CN(CC(=O)N(C)C)Cc3ccnn3C2)n1	ZINC22_306134471	330.385	NOTSMMVEHYPOHF-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059949
Cc1ccnc(O[C@@H]2CN(CC(=O)N(C)C)Cc3ccnn3C2)n1	ZINC22_306134472	330.385	NOTSMMVEHYPOHF-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059950
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1nc2n(c1=O)CCCC2	EMOLS-id_319453333	330.385	DPNTWXHLIWINKM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-059952
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Cc1nn(C)c(=O)c(c1C)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_98340502	330.385	GOSSDWJEOZWZQQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059955
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CCC(c1nnc2n1CCCCC2)NC(=O)c1ncn(c(=O)c1)C	EMOLS-id_316622530	330.385	AMDNJSLSJVASJQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059957
CCC(c1nnc2n1CCCCC2)NC(=O)c1nnc(o1)C1CC1	EMOLS-id_278568240	330.385	DCTQIFABTSLKRO-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-059958
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CC(C(c1nnc2n1CCNCC2)NC(=O)c1ccc(=O)[nH]c1)C	MCULE-1881949399,EMOLS-id_36467807,PC-id_56723579	330.385	CNQLDPFYXWUSNZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059960
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CC(C)CNC(=O)c1ncn2c1CN(C(=O)c1cc[nH]n1)CCC2	EMOLS-id_313788476,ZINC22_1565547515	330.385	SIIRCUODIIMRTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-059962
CC([C@@H](c1nnc2n1CCNCC2)NC(=O)c1ccc(=O)[nH]c1)C	PC-id_95388481	330.385	CNQLDPFYXWUSNZ-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059963
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CC(Oc1nccc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_320278559,MCULE-8587192652	330.385	CMACHKPHLCWEJY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059974
CCOc1ncccc1NC(=O)NCc1nnc2n1CCCCC2	MCULE-1245414035,PC-id_53505810,EMOLS-id_35713556,ZINC22_48206500	330.385	UVSKPCQYBWDTGY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059975
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CN(C)CC(=O)N1Cc2ccnn2CC[C@@H]1COc1cnccn1	ZINC22_585097432	330.385	LPQMSOJNDKVSDN-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059980
CN(C)C(=O)CN1Cc2ccnn2CCC1COc1cnccn1	EMOLS-id_313741750	330.385	KGBGPYVKDLVBNL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059981
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CN(C)C(=O)CN1Cc2ccnn2CC[C@@H]1COc1cnccn1	ZINC22_585097331	330.385	KGBGPYVKDLVBNL-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-059983
CN(CC(=O)N1CCCn2c(C1)c(COc1ccccn1)nn2)C	PC-id_97413554	330.385	YYVJFECJHSWYOU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059984
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CN(C(=O)Nc1cccn(c1=O)C)Cc1nnc2n1CCCCC2	EMOLS-id_320260714,MCULE-5349239011	330.385	SGTUCRBCSAYQMQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059986
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COc1cncc(c1)NC(=O)N(Cc1nnc2n1CCCCC2)C	MCULE-4879506054,EMOLS-id_319857046	330.385	DXTGSQHDVAHBFD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059991
COc1nccc(c1)CNC(=O)NCc1nnc2n1CCCCC2	PC-id_86927499	330.385	MURDARXMDSDRLO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059992
COc1ncccc1CNC(=O)NCc1nnc2n1CCCCC2	ZINC22_45570499,PC-id_53504212,MCULE-3800732723,EMOLS-id_35698452	330.385	VLIIVCTZVZGKFX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-059993
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COCc1nnc2n1CCC(CC2)NC(=O)c1n[nH]c(c1)C1CC1	MCULE-2599238490,EMOLS-id_50590399,PC-id_91910780	330.385	SERCBXLVUUCMRZ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-059996
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NC(=O)N1CCc2n(CC1)c(cn2)CNc1ncnc(c1)N(C)C	PC-id_97390252	330.388	UPDFCNSOAUKFKR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060035
O=C(c1ncn[nH]1)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97405622	330.388	RHKLNRAXKSAVPT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060036
O=C(N1CCCCC1c1cc[nH]n1)NC1CCn2c(CC1)nnn2	EMOLS-id_102161092	330.388	NNBXOMZKRVWAIB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-060037
O=C(NCc1nnc2n1CCCCC2)NCc1nnc2n1CCC2	ZINC22_65606033,PC-id_53518713,EMOLS-id_35717604,MCULE-9621139861	330.388	DZSSIEGGXRWXDL-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-060038
FC(C1CCCC(C1)NCCc1nnc2n1CCCCC2)(F)F	MCULE-6737652666,PC-id_121515895,EMOLS-id_53783469	330.392	MCWBQMMZCDVAIU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060039
FC(F)(F)[C@H]1CCC[C@@H](NCCc2nnc3n2CCCCC3)C1	ZINC22_129230829,PC-id_99625307	330.392	MCWBQMMZCDVAIU-QWHCGFSZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060040
FC(F)(F)[C@H]1CCC[C@H](NCCc2nnc3n2CCCCC3)C1	ZINC22_129231013,PC-id_99625308	330.392	MCWBQMMZCDVAIU-STQMWFEESA-N	00000000100010000101000000000010000000000000000000000000	31-01-060041
FC(F)(F)[C@@H]1CCC[C@@H](NCCc2nnc3n2CCCCC3)C1	ZINC22_129231183,PC-id_99625309	330.392	MCWBQMMZCDVAIU-CHWSQXEVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060042
FC(F)(F)[C@@H]1CCC[C@H](NCCc2nnc3n2CCCCC3)C1	ZINC22_129231378,PC-id_99625311	330.392	MCWBQMMZCDVAIU-OLZOCXBDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060043
CCN(Cc1cccc(F)c1)C(=O)CN1CCCc2occc2C1	EMOLS-id_177270897,ZINC22_344231566,MCULE-9094062463	330.397	FXYIXQUYLOTTPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060044
C=Cc1ccc(cc1)C(=O)OCC1(C)COc2c(OC1)csc2	SCHEMBL18499271	330.398	INQZIZOHVWCPNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060045
s1c2CCCCCc2cc1C(=O)Oc1ccc(cc1)C(=O)OC	PC-id_7956922	330.398	OENBPXCGWAJHIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060046
s1c2CCCCCc2cc1C(=O)OCc1cc2OCOc2cc1	PC-id_7352068	330.398	IENSAVQEPOALSW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060047
c1(C(=O)NCc2ccccc2F)cc2n(CCCN(C(C)C)C2)n1	ZINC22_65460037,EMOLS-id_32418060,MCULE-6073830379,PC-id_50974527	330.4	RBUZVTWFENDYSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060048
Cc1ccc(C(=O)N2CCc3ncc(CN(C)C)n3CC2)cc1F	ZINC22_96196814,EMOLS-id_44328559,PC-id_97466959	330.4	VIQACHYKGLUBOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060049
Cc1ccc(C(=O)NCCCc2nnc3n2CCCCC3)cc1F	ZINC22_67176655,MCULE-3794768505,EMOLS-id_42961220,PC-id_72045097	330.4	ZCNMYSCBXCJNFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060050
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1ccc(cc1F)C)C	EMOLS-id_318851792	330.4	XKIYSRLGJCBUMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060051
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)NCc1ccc(cc1)F)C	EMOLS-id_319645613	330.4	QJXZUMSBYZSLMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060052
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)NCc1ccccc1F)C	EMOLS-id_319895587,MCULE-9457486833	330.4	MVCCVECXIAWKMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060053
CC1CN(CC(=O)N(Cc2ccccc2F)C)Cc2c(C1)[nH]nc2	EMOLS-id_318877815	330.4	NCCYGDYDIBXXKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060054
CC1CN(CC(=O)NCc2ccc(c(c2)F)C)Cc2c(C1)[nH]nc2	EMOLS-id_319886624,MCULE-4619733204	330.4	BBJBORRIWAMQKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060055
CC1CN(CC(=O)N(Cc2ccc(cc2)F)C)Cc2c(C1)[nH]nc2	MCULE-6210173046,EMOLS-id_319914781	330.4	GWPAQZHYPQGLQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060056
CCC(c1nnc2n1CCCCC2)NC(=O)c1ccc(c(c1)C)F	EMOLS-id_318629099	330.4	FHWZYKWGURMXRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060057
CC(C)(C(=O)NCc1nnc2n1CCCCC2)c1ccccc1F	PC-id_53554411,MCULE-4589887378,EMOLS-id_36297616,ZINC22_69329581	330.4	SNCZHXXOLRTHQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060058
CCCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc(cc1)F	MCULE-8195018321,EMOLS-id_320127243	330.4	DRULFJWXJHSZGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060059
C[C@@H](NC(=O)CCc1ccccc1F)c1nnc2n1CCCCC2	ZINC22_29254528	330.4	XRJVOUXUZARAIO-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060060
C[C@H](NC(=O)CCc1ccccc1F)c1nnc2n1CCCCC2	ZINC22_29254534	330.4	XRJVOUXUZARAIO-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060061
C[C@H](NC(=O)CCc1cccc(F)c1)c1nnc2n1CCCCC2	PC-id_95155403,ZINC22_65588737	330.4	NEZNORNYXOPSAX-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060062
C[C@@H](NC(=O)CCc1cccc(F)c1)c1nnc2n1CCCCC2	ZINC22_65588739,PC-id_95155404	330.4	NEZNORNYXOPSAX-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060063
CCOC(=O)c1n(C)cc2c1CC[C@@H](NS2(=O)=O)C(O)(C)C	PC-id_140762784	330.4	WFRZHVQVOFTIPV-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060064
CCOC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(O)(C)C	SCHEMBL18352917	330.4	WFRZHVQVOFTIPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060065
CNc1ccc(cc1F)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_316668119	330.4	NIYAHXZLPVYQSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060066
CN(C)CC1CCn2nccc2CN1C(=O)Cc1ccccc1F	EMOLS-id_313817900	330.4	LRMDXRPLTFBLLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060067
CN(C)CC1CCn2nccc2CN1C(=O)Cc1cccc(F)c1	EMOLS-id_313818157	330.4	SLWIXUAIDYDPMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060068
CN(C)CC1CCn2nccc2CN1C(=O)Cc1ccc(F)cc1	EMOLS-id_313817133	330.4	IRWDLNRZVMTQEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060069
CN(C)Cc1cnc2CCN(CCn12)C(=O)Cc1cccc(F)c1	PC-id_97466942,CHEMBL3554487,ZINC22_96196797,EMOLS-id_44328525	330.4	QFQODWUGCMOIIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060070
CN(C)Cc1cnc2CCN(CCn12)C(=O)Cc1ccc(F)cc1	ZINC22_96196813,EMOLS-id_44328557,PC-id_97466958	330.4	ALFJDMODESECHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060071
CN(C)CC1CN(Cc2ccnn2C1)C(=O)Cc1ccccc1F	EMOLS-id_55739952	330.4	RCNDDKXDGOHRBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060072
CN(C)C[C@@H]1CCn2nccc2CN1C(=O)Cc1ccccc1F	ZINC22_585097437	330.4	LRMDXRPLTFBLLJ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060073
CN(C)C[C@H]1CCn2nccc2CN1C(=O)Cc1ccccc1F	ZINC22_585097439	330.4	LRMDXRPLTFBLLJ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060074
CN(C)C[C@@H]1CCn2nccc2CN1C(=O)Cc1cccc(F)c1	ZINC22_585097875	330.4	SLWIXUAIDYDPMU-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060075
CN(C)C[C@H]1CCn2nccc2CN1C(=O)Cc1cccc(F)c1	ZINC22_585097877	330.4	SLWIXUAIDYDPMU-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060076
CN(C)C[C@@H]1CCn2nccc2CN1C(=O)Cc1ccc(F)cc1	ZINC22_585097202	330.4	IRWDLNRZVMTQEQ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060077
CN(C)C[C@H]1CCn2nccc2CN1C(=O)Cc1ccc(F)cc1	ZINC22_585097205	330.4	IRWDLNRZVMTQEQ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060078
CN(C)C[C@H]1CN(C(=O)Cc2ccccc2F)Cc2ccnn2C1	ZINC22_306137656	330.4	RCNDDKXDGOHRBU-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060079
CN(C)C[C@@H]1CN(C(=O)Cc2ccccc2F)Cc2ccnn2C1	ZINC22_306137657	330.4	RCNDDKXDGOHRBU-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060080
COc1ccc2c(c1F)CCC2NCc1nnc2n1CCCCC2	MCULE-9863595203,EMOLS-id_318246634	330.4	KRBCNBOEQHNODO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060081
Fc1ccc(cc1)C1CCC(C1)NCc1nnc2n1CCOCC2	MCULE-5423051394,EMOLS-id_318757337	330.4	QDDMASNQQFLONI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-060082
Fc1cccc(c1)CN(C(=O)C1CCn2c(CC1)nnc2)C(C)C	EMOLS-id_316638825	330.4	YYDRXVMHBYEVNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060083
Fc1cc(CCC(=O)NC(c2n3CCCCCc3nn2)C)ccc1	MCULE-8453425362,PC-id_53517335,EMOLS-id_35699486	330.4	NEZNORNYXOPSAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060084
Fc1ccc(CN2CCCn3nnc(COCC4CC4)c3C2)cc1	ZINC22_96058844,CHEMBL3552118,PC-id_97381501,EMOLS-id_46147985	330.4	GUCNGHPNDXTCEF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-060085
Fc1c(CCC(=O)NC(c2n3CCCCCc3nn2)C)cccc1	PC-id_53503536,MCULE-1153532700,EMOLS-id_35694496	330.4	XRJVOUXUZARAIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060086
OC1CC(N(C1)Cc1nnc2n1CCCCC2)c1ccc(cc1)F	EMOLS-id_317921735	330.4	OTQIRHGWRQBNGI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-060087
O=C(C(N1CCCc2c(C1)cnn2C)C)NCc1ccc(cc1)F	EMOLS-id_318122998	330.4	LAWSQKCQFCGVMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060088
O=C(CN1CCCc2c(C1)cnn2C)NCc1ccc(c(c1)F)C	EMOLS-id_318254664	330.4	KZQRYEVZRDVBNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060089
C1CCc2c(CC1)sc(c2)C(=O)N/N=C/c1c(cc(cc1)O)O	PC-id_135731444	330.401	QNNJMANCYAROMD-VCHYOVAHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060090
C1CCc2c(CC1)sc(c2)C(=O)N/N=C/c1cc(c(cc1)O)O	PC-id_135731451	330.401	OGXBNUIYJOLFPL-VCHYOVAHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060091
c1(NC(=O)c2cccnc2)sc2c(CCCCC2)c1C(=O)OC	MCULE-5138596623,CoCoCo_683937,TIMTEC414502,SPECS-id_AK-968/37129132,EMOLS-id_1094400,ZINC22_368827,PC-id_840038,ChEMBL-DNDi_CHEMBL5698049	330.401	QWAXOMNQZJAZRZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060092
c1(NC(=O)c2ccncc2)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_6617608,MCULE-3507497876,EMOLS-id_4011760,PC-id_4109490,TIMTEC357925,ZINC22_2767318	330.401	OKXCUYGLZLVRKI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060093
c1(NC(=O)C=Cc2ccco2)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_26689170,MCULE-6023873242,PC-id_953845	330.401	XOWLAYWYAHQUCH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-060094
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(cc1)OC(=O)C	MCULE-4482847002,EMOLS-id_334605178	330.401	SDAUJNBBHYFVTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060095
c1(sc2c(CCCCC2)n1)NC(=O)c1cccc(c1)OC(=O)C	MCULE-8475190619,EMOLS-id_334603377	330.401	AAWDKGGIOBRWOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060096
Cc1c(NC(=O)c2cc3c(s2)CCCCC3)cccc1[N+](=O)[O-]	MCULE-3088556540,PC-id_9270683,ZINC22_8136960,EMOLS-id_30232316	330.401	DLYWSTGJYWHZSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060097
COC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1	CoCoCo_4546115,MCULE-2572943400,EMOLS-id_16732266,PC-id_17519428,ZINC22_12924754	330.401	ABVCIOKRFJLWBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060098
NC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCCC2	EMOLS-id_46402761,CoCoCo_6613220,ZINC22_558595,PC-id_953846	330.401	XOWLAYWYAHQUCH-CMDGGOBGSA-N	00000000101000000100000000000010000000000000000000000000	31-01-060099
O=C1Nc2sc(cc2CN([C@H]1C)C(=O)OCc1ccccc1)C	PC-id_141716510	330.401	SVZQVPZFPOPYHN-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060100
O=C(c1cc2c(s1)CCCCC2)Nc1cc2OCOc2cc1N	PC-id_119618263	330.401	IVFGSUOKHAYZBO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060101
O=C(c1ccccc1O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_145998895	330.401	CDAZJYMTRCAPCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060102
O=C(N1CCCCc2c1sc(n2)C)Cc1ccc2c(c1)OCO2	MCULE-6068615152,EMOLS-id_319853555	330.401	FZKHRNXPGKPMDS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060103
O=C(Nc1sc2c(c1C(=O)N)CCCCC2)/C=Cc1ccco1	CoCoCo_6613221	330.401	XOWLAYWYAHQUCH-HJWRWDBZSA-N	00000000101000000100000000000010000000000000000000000000	31-01-060104
s1c2CCCCCc2cc1C(=O)NNC=C1C(=CC(=O)C=C1)O	PC-id_8159574	330.401	VBLLYKLCHBBRAI-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-060105
s1c2CCCCCc2cc1C(=O)NNC=C1C=C(O)C(=O)C=C1	PC-id_8159674	330.401	DEBNZXCKRMJHMP-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-060106
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(O)cccc1	PC-id_7678238	330.401	HZNYZGBNKCYAAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060107
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1occc1	PC-id_84974427	330.401	HFZZSUFPPPOQTP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-060108
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1occc1	PC-id_9301131	330.401	HFZZSUFPPPOQTP-CMDGGOBGSA-N	00000000101000000100000000000010000000000000000000000000	31-01-060109
s1c2CCCCCCc2nc1NC(=O)c1c2OCOc2ccc1	PC-id_56021857	330.401	HXDIBCKOLFMCOQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060110
s1c2c(N(C(=O)[C@@H](N(C2=O)C)C)Cc2ccc(OC)cc2)cc1	PC-id_44204171	330.401	BATGTBKRJMBGBV-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-060111
s1c2c(N(C(=O)C(N(C2=O)C)C)Cc2ccc(OC)cc2)cc1	PC-id_74950696	330.401	BATGTBKRJMBGBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060112
CC1(C)COCC(O1)CS(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319163758	330.403	JEHXJKWSSRFVTE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060113
CCCOC(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70758091,ZINC22_82127422,MCULE-6694923928,EMOLS-id_44442229	330.403	LTHGPYPLVNXGDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060114
CCN(CC)S(=O)(=O)N1CCCn2nc(cc2C1)C(=O)OC	MCULE-4534470776,PC-id_50971085,EMOLS-id_32411574,ZINC22_65432790	330.403	OSGQLIROORKPEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060115
CCOCC(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70779798,EMOLS-id_44449715,MCULE-4572961216,ZINC22_82157187	330.403	KLQPRMYWBGUHLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060116
CN(C)C(=O)COCC1CN(Cc2cncn2C1)S(=O)(=O)C	EMOLS-id_49232037	330.403	HEDYCOSBQWCCIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060117
CN(C)C(=O)COC[C@H]1CN(S(=O)(=O)C)Cc2cncn2C1	PC-id_97476779,ZINC22_96208652	330.403	HEDYCOSBQWCCIZ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060118
CN(C)C(=O)COC[C@@H]1CN(S(=O)(=O)C)Cc2cncn2C1	PC-id_97476780,ZINC22_96208653	330.403	HEDYCOSBQWCCIZ-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-060119
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1)F	PC-id_111231949	330.403	KLKAWVXXIKEJEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060120
CN=C(NCc1nnc2n1CCCCC2)NCc1ccccc1F	PC-id_111265457	330.403	AVNOWTSZAFEHAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060121
CN=C(NCc1nnc2n1CCCCC2)NCc1cccc(c1)F	PC-id_111876523	330.403	JAMHNWAQXHQTJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060122
Fc1cccc(c1CNC1CCn2c(CC1)nnn2)N1CCCC1	MCULE-8594232607,EMOLS-id_318185222	330.403	YHQYCGOXQSINCJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-060123
Fc1cnc(NCc2n[nH]c3c2CCCCC3)nc1N1CCCC1	MCULE-8288569459,EMOLS-id_316194719,PC-id_134695647,ZINC22_1529091002	330.403	MDYVACPXWLJFDW-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-060124
c12C(=O)NCCCc1nc(NC(=O)NCCc1ccccc1)s2	PC-id_71811034,MCULE-2388028457,EMOLS-id_48619072,ZINC22_96124413	330.405	LMGLCNZEEUFCDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060125
c1(NC(=O)c2cnccn2)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_895296,ZINC22_473455,PC-id_896102,MCULE-1150461414,TIMTEC364859,EMOLS-id_2195144	330.405	OSTIMYPBSWMLKQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060126
Cc1c(cc(cc1)NC(=O)Nc1nc2c(s1)C(=O)NCCC2)C	PC-id_90625547	330.405	QKBRSXVYWHLMSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060127
Cc1cc(cc(c1)NC(=O)Nc1nc2c(s1)C(=O)NCCC2)C	PC-id_90625549	330.405	LILGONIXFDFESV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060128
Cc1nc2c(s1)N(CCCC2)C(=O)c1ncc(c(c1)C)C(=O)N	EMOLS-id_319365250	330.405	MQKJEZGMFFOLCR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060129
Cc1nccc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)n1	PC-id_71940522,MCULE-5681172153,EMOLS-id_44497287,ZINC22_79588311	330.405	ZKOLXEMXNROZGL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060130
Cc1nccc(n1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_51118441,MCULE-6787909346,EMOLS-id_33353662	330.405	IBSFZYLETLQHPE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060131
CCNc1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)N	SCHEMBL719947,PC-id_58256698	330.405	CYWWMYMKIKEXGZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060132
CC(=O)Nc1nccc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318937635	330.405	WVJYLAVDORGPSK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060133
CN(C)c1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625459	330.405	OCHOWHHQCJBCHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060134
CN(C)c1cccc(c1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625460	330.405	RKGNSPLHNCFNFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060135
CNC(=O)c1nc2c(s1)CCN(CC2)C(=O)Cc1ccccn1	PC-id_97524692	330.405	SZXDUZWAXLKHRP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060136
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1[N+](=O)[O-]	PC-id_19985699,SCHEMBL7291589	330.405	IFHHXGSWMJWELS-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060137
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc(cc1)[N+](=O)[O-]	PC-id_19985789,SCHEMBL7286256	330.405	VPFZWROEILSODR-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060138
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1)[N+](=O)[O-]	SCHEMBL7286459,PC-id_19985901	330.405	NETNLMIRHAPBGV-DUXPYHPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060139
N#Cc1ccc(cc1)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948286	330.405	IZBKWPMRQPZEFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060140
N#Cc1cccc(c1)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948289	330.405	SPGDYGOFXSBSBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060141
N#Cc1ccc(c(c1)C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948547	330.405	JWQWREXIRRNVJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060142
N#Cc1ccc(cc1C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950890	330.405	FOLWKYUPEJLPOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060143
N#Cc1cccc(c1)CS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318943825	330.405	WZBQBCBYZAMAOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060144
N#Cc1ccc(c(c1)C)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319302113	330.405	ORMGVPLFPSJDLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060145
N#Cc1ccc(cc1C)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320220397,MCULE-1464590647	330.405	FBOLLWOIWJIEJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060146
N#Cc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101948520	330.405	AXCPKIQXQXMOCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060147
N#Cc1ccc(c(c1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_318863615	330.405	OJEBPZPBWVBVGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060148
N#Cc1c(C)cccc1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950737	330.405	UWKOTKHRNFBDNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060149
N#CCc1ccccc1S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319274405	330.405	ODRKZJNHFKLSSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060150
N#CCc1ccc(cc1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319860713,MCULE-6576327364	330.405	HJFRXHHDAORMDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060151
N#CCc1cccc(c1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-3952015868,EMOLS-id_319946213	330.405	BYHBDNLBWRLBHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060152
NC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)nc1	PC-id_53540524,ZINC22_65489782,EMOLS-id_35751337,MCULE-6104120820	330.405	FQTYNJUVXNEFSN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060153
NC(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319938316,MCULE-9703722752	330.405	MXFUANMKVDAYQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060154
O=c1oc2ccccc2n1CCSc1nnc2n1CCCCC2	ZINC22_26027880,MCULE-7920284754,EMOLS-id_50302781	330.405	IHJALYXNTHOLKR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060155
O=C(c1cnc([nH]c1=O)C1CC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_316522224	330.405	BKGUBUMUXGEHCK-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-060156
O=C(c1sc2c(c1)CCCCCC2)NNC(=O)c1nccnc1	PC-id_25443809,MCULE-3874029551,EMOLS-id_45631771	330.405	XTENVNZCNIQIBD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060157
O/C(=C/Sc1nnc2n1CCCCC2)/NC(=O)c1ccccc1	CoCoCo_3081815,CoCoCo_3081816	330.405	CBONEHVMNOMPAY-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060158
O/C(=CSc1nnc2n1CCCCC2)/NC(=O)c1ccccc1	CoCoCo_3081817,CoCoCo_3081814	330.405	CBONEHVMNOMPAY-KAMYIIQDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060159
O=C(CSc1nnc2n1CCCCC2)NC(=O)c1ccccc1	EMOLS-id_17179979,PC-id_7877077,CoCoCo_3081813,MCULE-3525812678,ZINC22_6097713	330.405	QETCMYWVMFEIBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060160
O=C(NC1CC1)c1cnn2c1CN(C(=O)c1cccs1)CCC2	EMOLS-id_313764047,ZINC22_585110897	330.405	WOTVBNJFVISRKK-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-060161
O=C(NC1CC1)c1cnn2c1CN(C(=O)c1ccsc1)CCC2	ZINC22_585110868,EMOLS-id_313765583	330.405	ROEVPAJNUYOSJC-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-060162
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ncc(nc1)C	PC-id_37955740	330.405	GFXVAWNKXADYLL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060163
s1c2c(CCCCC2)c(c1NC(=O)c1ncc(nc1)C)C(=O)N	PC-id_60388047	330.405	VYBRTDBVGNNASU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060164
s1c2CCN(CCc2nc1N)CC=Cc1ccc([N+](=O)[O-])cc1	PC-id_54403793	330.405	VPFZWROEILSODR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060165
s1c2CCN(CCc2nc1N)CC=Cc1cc([N+](=O)[O-])ccc1	PC-id_54107459	330.405	NETNLMIRHAPBGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060166
s1c2CCN(CCc2nc1N)CC=Cc1c([N+](=O)[O-])cccc1	PC-id_53913289	330.405	IFHHXGSWMJWELS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060167
S(C1NC(Nc2cc3-c(c2)ccccc3)C(C(=O)N1)C(=O)N)C	PC-id_77399302	330.405	HKJRRNRQYWRRBE-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-060168
c12sccn1cc(CC(=O)NCc1cc3n(CCCNC3)n1)n2	ZINC22_82156778,PC-id_70778917,MCULE-1208904438,EMOLS-id_44449411	330.408	VAHQLFPQWNWVGU-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-060169
Cc1sc2c(c1C)c(=O)n(nn2)Cc1nnc2n1CCCCC2	EMOLS-id_100808303	330.408	BSGMMDOSRDSHQX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060170
O=C(N1CCCc2c(C1)cnn2C)NCc1cn2c(n1)scc2	EMOLS-id_101727969	330.408	JWDKUIZBQBTPKI-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-060171
O=C(NC1CSc2c1cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102179739	330.408	BGPVAWNDHLETNU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060172
O=C(Nc1nc2c(s1)CCCCC2)C1(c2nn[nH]n2)CC=CC1	ZINC22_2325807588	330.408	DXYTWHPTQAXYHO-UHFFFAOYSA-N	00000011100000000101100000000010000000000000000000000000	31-01-060173
O=C(NCc1nnc2n1CCCCC2)NCCNc1cccc[nH+]1	GD-id_ZINC43780289	330.408	QGHFPGNPBHKGHD-UHFFFAOYSA-O	00000000100000101101000000000010000000000000000000000000	31-01-060174
s1c2n(cc(n2)CC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266244	330.408	PKIFMQNBPOYKSL-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-060175
O=C1OC(/C(=CC(=C)CC(C)Cc2occ(c2)C(=O)C1C)/C)CC	CNP0433408	330.418	QZEAEYFGWKFQKZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-060176
Cc1ccc2-c1cc(ccc2/C=C/c1ccc(C(=O)O)cc1)C(C)C	CHEMBL104492,PC-id_23257848	330.42	JSONZTQVAAXXKF-VMPITWQZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-060177
Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320143844,MCULE-4209883452	330.42	VYPMDHCCKQSUJP-CABCVRRESA-N	00100000100000110101100000000010000000000000000000000000	31-01-060178
OC(=O)c1ccc(C=Cc2c3-c(cc(C(C)C)cc2)c(cc3)C)cc1	PC-id_74036496	330.42	JSONZTQVAAXXKF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-060179
s1c(NC(=O)C2C(C2)c2c(F)cccc2)nc2CCCCCc12	PC-id_55507897	330.42	KMGSIUAORSYCKL-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-060180
c1(C(=O)N(CCC(C)C)Cc2ccco2)c2CCCCCc2on1	MCULE-3959048012,PC-id_16043950,EMOLS-id_16234873,CoCoCo_2401446	330.421	KYBIKFPVHONYPP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060183
[C+](c1c2-c(cc1)ccccc2)(c1c2-c(cc1)ccccc2)[C]1[CH][CH][CH][CH]1	PC-id_10579395	330.421	IPBBNKWHYBHLNN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060184
O=C1CCCCC1C1CCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_111934297	330.421	KFZWVPMTIQUCMN-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-060185
O=C(N1CC(C1)C(=O)N1CCCc2c(C1)cco2)C1CCCCC1	EMOLS-id_101450569	330.421	HOZJECKGOYYUQZ-UHFFFAOYSA-N	00001000100010000100000000000010000000000000000000000000	31-01-060186
O=C1N[C@@H](Cc2ccccc2)Cc2n([C@H]1Cc1ccccc1)ccc2	PC-id_101400835	330.423	SZKZHDKXYYSRSS-FPOVZHCZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060187
O=Cc1ccc(cc1)N=Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_101874217	330.423	GIUJADCLPYMOOG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-060188
c12CN(CCCn1nc(CNC(=O)C1(C)CC1)c2)C(=O)C1CCC1	ZINC22_82098326,MCULE-6061027999,EMOLS-id_44430009,PC-id_70723362	330.425	ATMMVRZPXYLLNX-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-060189
c12nccn1CCCN(C(=O)CCc1c(C)noc1C)C2CCC	EMOLS-id_55717288,MCULE-4969718869	330.425	FGLOOQBEGISOCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060190
C1CCC(=CC1)CC(=O)N1CCc2nn(c(=O)n2CC1)CC1CC1	MCULE-5027192759,PC-id_91922544,EMOLS-id_50590143	330.425	OJZNJIPTBGPXPZ-UHFFFAOYSA-N	00100000100011000101000000000010000000000000000000000000	31-01-060191
c1(cc(oc1C)CN(CC)CC)C(=O)N1CCCn2cncc2C1	ZINC22_72146818,MCULE-2469871367,PC-id_56892872,EMOLS-id_43101361	330.425	JYBWVZWJXNSHSX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060192
c1(C(O)C2CC2)cc2n(CCCN(Cc3cc(on3)C(C)C)C2)n1	EMOLS-id_55668803,MCULE-4609047750,PC-id_91783107	330.425	CPIMHWUGMRWKQV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060193
c1(C(=O)N2CCN(CC2)C(=O)C2CCC2)c2CCCCCc2[nH]n1	MCULE-3883081927,EMOLS-id_323252410	330.425	PROPDIHFQRQQRF-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-060194
Cc1ccc(CN2Cc3nccn3C[C@H](CN3CCOCC3)C2)o1	PC-id_97389322,ZINC22_96066994	330.425	IWOIUFOYTPFXPC-MRXNPFEDSA-N	00000000101010000101000000000010000000000000000000000000	31-01-060195
Cc1ccc(CN2Cc3nccn3C[C@@H](CN3CCOCC3)C2)o1	PC-id_97389323,ZINC22_96066995	330.425	IWOIUFOYTPFXPC-INIZCTEOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-060196
Cc1ccc(CN2CC(CN3CCOCC3)Cn3ccnc3C2)o1	EMOLS-id_46160615	330.425	IWOIUFOYTPFXPC-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-060197
Cc1ccoc1C(=O)N1CCCn2cnc(CN(C)C(C)C)c2C1	PC-id_97519295,EMOLS-id_44369968,ZINC22_96259211	330.425	LEYCTNZBDPIVSO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060198
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CC(=O)N(C1)C1CCCC1	EMOLS-id_318768342	330.425	GQYXILFZVJVSCI-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060199
CCc1nn(C)c(CC)c1CNC(=O)N1CCCc2occc2C1	MCULE-1694408618,ZINC22_292776237,EMOLS-id_316850415	330.425	BVEFTOBVULLYHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060200
CC(C)c1cc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)no1	PC-id_100094053,ZINC22_222402695	330.425	CPIMHWUGMRWKQV-SFHVURJKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060201
CC(C)c1cc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)no1	ZINC22_230565824	330.425	CPIMHWUGMRWKQV-GOSISDBHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060202
COc1ccccc1CNC(=O)CN1CCCc2c(C1)ccs2	EMOLS-id_318230342	330.444	HGFXFBMOTLGXEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060344
CC(C)C1N(CCCn2ccnc12)C(=O)CCc1c(C)noc1C	EMOLS-id_97011832	330.425	XAFJARDEMQVLQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060203
CC(C)c1nnc2CCN(Cc3cccc(OCCO)c3)CCn12	CoCoCo_1178490,MCULE-4538842151,CoCoCo_1178491,ZINC22_11978013,PC-id_42328511,EMOLS-id_20434265	330.425	AROSTZMEZKLXKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060204
CCC(c1nnc2n1CCCCC2)NC(=O)C1C[C@@H]2C[C@H]1C(=O)C2	EMOLS-id_101534970	330.425	SNCCVYFDQSOJFG-MRFVTOPCSA-N	00000010100000000101000000000110000000000000000000000000	31-01-060205
CC(C)c1occc1C(=O)NCCCc1nnc2n1CCCCC2	PC-id_136539221,MCULE-7518081890,EMOLS-id_316908309,ZINC22_280652620	330.425	FSYYDVODRPGSPW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060206
CCCC[C@@H]1C=CCN1C(=O)c1nn2c(c1)CN(CCC2)C(=O)C	PC-id_95148432	330.425	RFHLJCXNPUXQQW-OAHLLOKOSA-N	00000011100000000101000000000010000000000000000000000000	31-01-060207
CCCC[C@H]1C=CCN1C(=O)c1nn2c(c1)CN(CCC2)C(=O)C	PC-id_95148433	330.425	RFHLJCXNPUXQQW-HNNXBMFYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-060208
CC[C@H](c1nn2c(c1)CN(CCC2)Cc1[nH]cc(c(=O)c1C)C)O	PC-id_99980050	330.425	QMDSKFXPFHMZEU-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060209
CC[C@@H](c1nn2c(c1)CN(CCC2)Cc1[nH]cc(c(=O)c1C)C)O	PC-id_99980053	330.425	QMDSKFXPFHMZEU-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060210
CCC(O)c1cc2CN(Cc3[nH]cc(C)c(=O)c3C)CCCn2n1	PC-id_91783660,EMOLS-id_55670385,MCULE-8122886184	330.425	QMDSKFXPFHMZEU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060211
CCN(Cc1ccc(o1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)CC	EMOLS-id_320128325,MCULE-6816662225	330.425	FNZGLMBLBOJLNG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060212
CCOc1ccccc1CN(C)C1CCc2nn(C)c(=O)n2CC1	MCULE-9341233726,EMOLS-id_97041835	330.425	BFVLUMAMQYLRCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060213
CCOc1ccc(CN(C)Cn2nc3n(c2=O)CCCCC3)cc1	PC-id_17479705,CoCoCo_4550050,CoCoCo_4550051,ZINC22_14205562,EMOLS-id_13569352,MCULE-5454437279	330.425	CTXQSRNZESYMKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060214
CCOCc1nnc2CC(C)N(Cc3ccccc3OC)CCn12	EMOLS-id_313827110	330.425	ZWHPDNJUECDRPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060215
CCOCc1nnc2n1CCN(Cc1ccccc1OC)[C@@H](C)C2	ZINC22_585098771	330.425	ZWHPDNJUECDRPS-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060216
CCOCc1nnc2n1CCN(Cc1ccccc1OC)[C@H](C)C2	ZINC22_585098772	330.425	ZWHPDNJUECDRPS-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060217
CN(Cc1ccc(o1)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C)C	EMOLS-id_319673222	330.425	CLOGGWCUILTXDB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060218
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CC(=O)N(C2CC2)C1	PC-id_97123779,ZINC22_91548728	330.425	FAAFPLKDNYCSGT-GFCCVEGCSA-N	00100010100000000101100000000010000000000000000000000000	31-01-060219
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CC(=O)N(C2CC2)C1	PC-id_97123780,ZINC22_91548730	330.425	FAAFPLKDNYCSGT-LBPRGKRZSA-N	00100010100000000101100000000010000000000000000000000000	31-01-060220
CN(Cc1n[nH]c2CCCCCc12)C(=O)C1CN(C2CC2)C(=O)C1	EMOLS-id_44713902,MCULE-8175137709,PC-id_70731538	330.425	FAAFPLKDNYCSGT-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-060221
CN(C(C)C)Cc1ncn2c1CN(CCC2)C(=O)c1ccc(o1)C	PC-id_97405443	330.425	ARMADAFPALWSPN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060222
CN(C(C)C)Cc1ncn2c1CN(CCC2)C(=O)c1ccoc1C	PC-id_97405444	330.425	IVGKERMODBUIIC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060223
CN(C(=O)c1noc2c1CCCCC2)Cc1n[nH]c(c1)C(C)(C)C	EMOLS-id_99984061	330.425	YDECGJRSUCPZLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060224
COc1cccc(CN2CCc3nnc(C(C)C)n3CC2)c1OC	ZINC22_12163889,PC-id_42439117,EMOLS-id_20419623,CoCoCo_1158337,CoCoCo_1158336,MCULE-4577952570	330.425	HAZAILSOXVYQTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060225
COc1cc(CN2CCc3nnc(C(C)C)n3CC2)cc(OC)c1	MCULE-2166689262,PC-id_42449868,EMOLS-id_232708187,ZINC22_12185676	330.425	RXAQJTCNONCHJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060226
N#CC1(CCCn2nc3c(c2)C(=O)NCC(C3)(C)C)CCOCC1	MCULE-4044482575,EMOLS-id_320129843	330.425	ZYUHPBFWVDOIOH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060227
O=C1CCCN1Cc1ncn2c1CN(C(=O)C1CCCC1)CCC2	ZINC22_96259396,EMOLS-id_44370340,PC-id_97519480	330.425	DLDBQEVWIWUJKY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-060228
O=C([C@@]12CC[C@@H](C1(C)C)CC2=O)NCc1nnc2n1CCCCC2	EMOLS-id_319255793	330.425	YNDMAHOBGAWTAL-XIKOKIGWSA-N	00000010100000000101000000000110000000000000000000000000	31-01-060229
O=C(C1CC=CC1)N1CCc2ncc(CN3CCOCC3)n2CC1	EMOLS-id_46161849,ZINC22_96067905,PC-id_97390211	330.425	MNARDCMJLXQBIT-UHFFFAOYSA-N	00000011100010000101000000000010000000000000000000000000	31-01-060230
O=C(c1noc2c1CCCCC2)Nc1cc(nn1C)CC(C)(C)C	EMOLS-id_101028298	330.425	KGRZQSHUWBQXEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060231
O=C(N1C(CCCC)C=CC1)c1nn2c(CN(CCC2)C(=O)C)c1	PC-id_50984590	330.425	RFHLJCXNPUXQQW-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-060232
O=C(Nc1cc(nn1C(C)(C)C)C)CN1CCCc2c(C1)cco2	EMOLS-id_99341800	330.425	VZLYLMUELBFHMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060233
O=C(Nc1cc(nn1C)C(C)(C)C)CN1CCCc2c(C1)cco2	EMOLS-id_99343078	330.425	RLUZKQHDOHMJPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060234
c12CN(CCc1n(nc2CO)CC)Cc1cc2n(CCCNC2)n1	PC-id_56908269,MCULE-3533435267,EMOLS-id_43154455,ZINC22_72158977	330.428	RBCZAFXCXHYWJE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060235
c12CN(CCCn1nc(C#N)c2)C(=O)NCC1CCN(CC1)CC	ZINC22_584889200,MCULE-6467804417,EMOLS-id_177396156	330.428	MRYLBDJPISPQDV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060236
c1cnn(C[C@H]2CN(Cc3cc4n(n3)CCCNC4)CCCO2)c1	PC-id_95722092,ZINC22_72157539	330.428	FZFJSIKEIMRMLO-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060237
c1cnn(C[C@@H]2CN(Cc3cc4n(n3)CCCNC4)CCCO2)c1	ZINC22_72157538,PC-id_95722091	330.428	FZFJSIKEIMRMLO-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060238
c1(C(=O)NC(CCC)c2nccn2C)cc2n(CCCN(C)C2)n1	PC-id_50958778,EMOLS-id_32388354,MCULE-5844953672	330.428	OPRFOKCYCODTMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060239
c1(C(=O)NC(C(C)C)Cn2ccnc2)cc2n(CCCN(C)C2)n1	PC-id_50950258,MCULE-3928901777,EMOLS-id_32372062	330.428	JBFQDRQLDHOJDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060240
c1(C(=O)NCCCn2ccnc2CC)cc2n(CCCN(C)C2)n1	EMOLS-id_32422880,PC-id_50977089,MCULE-9299463036,ZINC22_65470698	330.428	VJNBVXXPFPCJSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060241
c1(csc(c2cccs2)n1)C(=O)N1CCCn2cncc2C1	PC-id_56896991,EMOLS-id_43118363,MCULE-6096280754,ZINC22_72156859	330.428	HKOKIMVBSUCZAX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-060242
CC1Cc2nnc(COCC3CC3)n2CCN1Cc1cc(C)n[nH]1	EMOLS-id_313826341	330.428	KENNAFCUXPTPBE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060243
CC1Cc2nnc(COCC3CCC3)n2CCN1Cc1cn[nH]c1	EMOLS-id_313826340	330.428	NMQFXBMCZXZUOY-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-060244
Cc1cc(CN2Cc3ccnn3CCC2CN2CCOCC2)[nH]n1	EMOLS-id_313815082	330.428	WCKDWUBEARHQOZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060245
Cc1cc(CN2Cc3ccnn3CC[C@H]2CN2CCOCC2)n[nH]1	ZINC22_585098318	330.428	WCKDWUBEARHQOZ-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060246
Cc1cc(CN2Cc3ccnn3CC[C@@H]2CN2CCOCC2)n[nH]1	ZINC22_585098320	330.428	WCKDWUBEARHQOZ-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060247
Cc1cc(CN2CCn3c(COCC4CC4)nnc3C[C@H]2C)n[nH]1	ZINC22_585097459	330.428	KENNAFCUXPTPBE-CYBMUJFWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060248
Cc1cc(CN2CCn3c(COCC4CC4)nnc3C[C@@H]2C)n[nH]1	ZINC22_585097462	330.428	KENNAFCUXPTPBE-ZDUSSCGKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060249
Cc1cc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)no1	MCULE-8454236137,ZINC22_95947610,EMOLS-id_31877352,PC-id_45805774	330.428	PHMCYIQKWCJWAU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060250
Cc1cc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)on1	EMOLS-id_31877358,ZINC22_95947611,MCULE-6023470514,PC-id_45805775,CoCoCo_4642490,CoCoCo_4642491	330.428	DBLKHCYQHXBDFV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060251
Cc1cc(n(n1)CCC(=O)N1CCn2c(CC1)nnc2C(C)C)C	CoCoCo_1420901	330.428	OSDWUJAYNKVRMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060252
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1ccnn1C(C)C)C	EMOLS-id_319099723	330.428	PQNHWCHAWJMZJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060253
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc2c1nsn2	EMOLS-id_319393643	330.428	XYZOXRQAOSASID-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060254
Cc1nc2c(s1)N(CCCC2)C(=O)c1nc2c(s1)nccc2	EMOLS-id_319425636	330.428	SPTVNQNSSRLJDZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060255
Cc1nc2c(s1)N(CCCC2)C(=O)c1ncnc2c1ccs2	MCULE-9620619597,EMOLS-id_320208745	330.428	VKHSFNZBEHJABL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060256
Cc1nc2c(s1)N(CCCC2)C(=O)c1ncnc2c1scc2	EMOLS-id_319781869	330.428	IXTLFUKSUNARSF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060257
Cc1nc(C[C@@H]2CCCN(Cc3nnc4n3CCCCC4)C2)no1	ZINC22_368838116	330.428	IIUSEVGLWFJZNF-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060258
Cc1nc(C[C@H]2CCCN(Cc3nnc4n3CCCCC4)C2)no1	ZINC22_368838118	330.428	IIUSEVGLWFJZNF-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060259
Cc1[nH]nc(c1C1COCCN1Cc1nnc2n1CCCCC2)C	EMOLS-id_98432721	330.428	SOMVVKOGRYYFCG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-060260
Cc1nn(C)c(C)c1CCC(=O)NCc1cc2CNCCCn2n1	ZINC22_82107759,EMOLS-id_44433513,MCULE-7012825631,PC-id_70733205	330.428	ZPEPRPHMXZXEEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060261
Cc1nn(C)c(C)c1CCC(=O)NCc1nnc2n1CCCCC2	MCULE-1108488167,ZINC22_41820937,PC-id_53502131,EMOLS-id_35691730	330.428	ONHJQCMBNBSYBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060262
Cc1nn(C)c(C)c1CC(=O)N[C@H](C)c1nnc2n1CCCCC2	ZINC22_29255987	330.428	QPNRWODAHYJACS-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060263
Cc1nn(C)c(C)c1CC(=O)N[C@@H](C)c1nnc2n1CCCCC2	ZINC22_29255992	330.428	QPNRWODAHYJACS-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060264
Cc1nnc([C@H]2CCCN(Cc3nnc4n3CCCCC4)[C@H]2C)o1	EMOLS-id_316089198,MCULE-7600304772,ZINC22_886078161	330.428	OOGDIKOXCUSNLZ-JSGCOSHPSA-N	00000000100010000101100000000010000000000000000000000000	31-01-060265
Cc1noc(n1)C1CCC(CC1)NCc1nnc2n1CCCCC2	MCULE-9030712771,EMOLS-id_318091752	330.428	DBRCXSCBMYWPGJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-060266
Cc1onc(n1)C1(CCCCC1)NCc1nnc2n1CCCCC2	EMOLS-id_99161311	330.428	LWTOHBYQILSCTM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-060267
Cc1onc(n1)CC1CCCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_316033111,MCULE-9551316681	330.428	IIUSEVGLWFJZNF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060268
CCc1cc(O)nc(CN[C@H](CC)c2nnc3n2CCCCC3)n1	ZINC22_661939819	330.428	OJDZJIWBYYHMFW-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060269
CCc1cc(O)nc(CN[C@@H](CC)c2nnc3n2CCCCC3)n1	ZINC22_661939820	330.428	OJDZJIWBYYHMFW-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060270
CCc1nc(CNC(c2nnc3n2CCCCC3)CC)nc(c1)O	EMOLS-id_316924378,MCULE-8189526986	330.428	OJDZJIWBYYHMFW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060271
CCc1nn(c(c1CNC(=O)C1CCc2n(CC1)cnn2)CC)C	MCULE-6339407739,EMOLS-id_319899160	330.428	WHGTZMKSKKGOIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060272
CCC(c1nc(cc(n1)C)N(Cc1nnc2n1CCOCC2)C)C	EMOLS-id_319926164,MCULE-2085453785	330.428	BPPXTECWLOEOLP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060273
CCC(c1nnc2n1CCCCC2)NC(c1onc(n1)C1CC1)C	EMOLS-id_318244395	330.428	HZSVIDKCZYIHTM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-060274
CCC(c1nnc2n1CCCCC2)NC(=O)c1cc(n(n1)CC)C	EMOLS-id_319608120	330.428	RJDQBLXKFRAJDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060275
CCC(c1nnc2n1CCCCC2)NC(=O)c1cnn(c1C)CC	EMOLS-id_319383504	330.428	AAKGSUIQBMQOQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060276
CC(C)[C@@H](Cn1ccnc1)NC(=O)c1cc2n(n1)CCCN(C)C2	ZINC22_65372341,PC-id_95120541	330.428	JBFQDRQLDHOJDP-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060277
CC(C)[C@H](Cn1ccnc1)NC(=O)c1cc2n(n1)CCCN(C)C2	ZINC22_65372342,PC-id_95120542	330.428	JBFQDRQLDHOJDP-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060278
CCC[C@@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1nccn1C	PC-id_95124807,ZINC22_65394531	330.428	OPRFOKCYCODTMF-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060279
CCC[C@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1nccn1C	ZINC22_65394530,PC-id_95124806	330.428	OPRFOKCYCODTMF-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060280
CC(C(C(=O)N1Cc2cnn(c2CC(C1)(C)C)C)n1cnnc1)C	EMOLS-id_320256231,MCULE-1393722510	330.428	IPFKMJHPEGKMKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060281
CC(Cn1ncc(c1C)NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101950395	330.428	AFBXWMHWYMEQEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060282
CCC(n1nc(cc1C)NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101966076	330.428	RQBLCTOCZKXJEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060283
C[C@@H]1Cc2nnc(COCC3CCC3)n2CCN1Cc1cn[nH]c1	ZINC22_585097728	330.428	NMQFXBMCZXZUOY-CYBMUJFWSA-N	00001000100000000101000000000010000000000000000000000000	31-01-060284
C[C@H]1Cc2nnc(COCC3CCC3)n2CCN1Cc1cn[nH]c1	ZINC22_585097729	330.428	NMQFXBMCZXZUOY-ZDUSSCGKSA-N	00001000100000000101000000000010000000000000000000000000	31-01-060285
CCn1nc(c(c1C)[C@H](NC(=O)c1cc2n(n1)CCCNC2)C)C	PC-id_95130991	330.428	QAGJDJLGBMXFHP-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060286
CCn1nc(c(c1C)[C@@H](NC(=O)c1cc2n(n1)CCCNC2)C)C	PC-id_95130992	330.428	QAGJDJLGBMXFHP-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-060287
CCn1nc(c(c1C)C(NC(=O)c1cc2n(n1)CCCNC2)C)C	PC-id_50968588,MCULE-5332122432,EMOLS-id_32406878	330.428	QAGJDJLGBMXFHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060288
CCn1nc(c(c1C)CNC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_318105648	330.428	KEZVEERDURCQPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060289
CCNC(=NCc1ccco1)NCCc1nnc2n1CCCCC2	PC-id_110938800	330.428	JCNNFFDOTWJXMG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060290
C(N1CCCOC(Cn2cccn2)C1)c1cc2CNCCCn2n1	EMOLS-id_43119973,MCULE-5973834823,PC-id_56897410	330.428	FZFJSIKEIMRMLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060291
Cn1nccc1[C@@H]1OCC[C@H]1CNCc1nnc2n1CCCCC2	EMOLS-id_72957661,ZINC22_299745139,MCULE-8437157559,PC-id_120916538	330.428	WKYLJOSZYFBJIU-SUMWQHHRSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060292
CN(C)CCOCc1nnc2CCN(Cc3cccnc3)CCn12	EMOLS-id_46148037,ZINC22_96058870,PC-id_97381527	330.428	VAPFDRCQJGLJHK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060293
CN(C)CCOCc1nnc2CCN(Cc3ccncc3)CCn12	EMOLS-id_46148039,PC-id_97381528,ZINC22_96058871	330.428	IWBAMTKDZCLWHD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060294
CN(C)CCOCc1nnn2c1CN(Cc1ccccn1)CCC2	ZINC22_96058829,EMOLS-id_46147955,PC-id_97381486	330.428	ZJIUEJCKFHKMFL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060295
CN(C)CCOCc1nnn2c1CN(Cc1cccnc1)CCC2	ZINC22_96084341,EMOLS-id_46181691,PC-id_97405168	330.428	GUAJSORIRGPRIM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060296
CN(C)CCOCc1nnn2c1CN(Cc1ccncc1)CCC2	ZINC22_96058830,EMOLS-id_46147957,PC-id_97381487	330.428	HXMMJXYNXKUPKW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060297
CN(CCn1nccc1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)C	EMOLS-id_278991297	330.428	MBGAQRUGMULMGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060298
CN(CCn1ncc(c1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)C	EMOLS-id_316668248	330.428	FPFGZCQYIJUUKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060299
CN=C(NCc1ccco1)NCCCc1nnc2n1CCCCC2	PC-id_110935174	330.428	PRCSJLTUCAUQKO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060300
CN=C(NCCc1ccco1)NCCc1nnc2n1CCCCC2	PC-id_111354516	330.428	FLEYLIGTBKYOFF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060301
O(c1cnc(NCc2nn3CCCN(Cc3c2)CC(C)C)nc1)C	PC-id_70717847	330.428	JMRGPJNUGYVZAT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060302
O=C(Cc1c(C)nn(c1C)C)NC(c1nnc2n1CCCCC2)C	EMOLS-id_35694502,MCULE-4043287940,PC-id_53503533	330.428	QPNRWODAHYJACS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060303
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Cc1nncn1C(C)C	MCULE-8873316718,EMOLS-id_320252041	330.428	QDMJDTJJNYTFDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060304
O=C(N1CCCc2c(C1)ccs2)c1csc(n1)c1cnc[nH]1	EMOLS-id_319192488	330.428	YTMQXIVOQLBLRT-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-060305
CCNC(=NCc1ccnn1C)NCc1nnc2n1CCCCC2	PC-id_111954289	330.431	BFTQXROTCNSODY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060306
CN(C)[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@@H]1n1ccnn1	MCULE-4414538340,ZINC22_859757866,EMOLS-id_316142416	330.431	QGHGDFDLMQBSNK-KGLIPLIRSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060307
CN=C(NCc1ccnn1C)NCCc1nnc2n1CCCCC2	PC-id_111954471	330.431	JTQKADMUXUBNTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060308
CN=C(NCc1nnc2n1CCCCC2)NCCCn1cccn1	PC-id_111904583	330.431	RJFADGQOQHBALN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060309
CCOc1cccc(c2-c1c(C)[n+](c2C)C[C@H]1CCCO1)OCC	CoCoCo_1811362,PC-id_750359	330.441	IOZMBKCMBOCANU-MRXNPFEDSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060310
CCOc1cccc(c2-c1c(C)[n+](c2C)C[C@@H]1CCCO1)OCC	CoCoCo_1811363,PC-id_750360	330.441	IOZMBKCMBOCANU-INIZCTEOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060311
CCOc1cccc(OCC)c2-c1c([n+](c2C)CC1CCCO1)C	MCULE-4616826587,PC-id_3508363,SCHEMBL14345868,ChEMBL-DNDi_CHEMBL1617532,EMOLS-id_4441031	330.441	IOZMBKCMBOCANU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060312
CCC(c1nnc2n1CCCCC2)NC(Cc1ccccc1F)C	EMOLS-id_318199016	330.443	XEWLWPRKHAGLPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060313
c1(c2CCCCCc2sc1N)C(=O)Nc1ccccc1OCC	CoCoCo_736201,CK1252416,ChEMBL-DNDi_CHEMBL3261-1013,EMOLS-id_2387098,MCULE-4065784044,ZINC22_233409,PC-id_2884591	330.444	ZQGSEYYFJVLQJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060314
c1(c2CCCCCc2sc1N)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_6256335,PC-id_724228,MCULE-3514710712,SPECS-id_AG-667/11911038,ZINC22_130307,CoCoCo_5960707	330.444	FYPBOQIXCPWSOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060315
c1(c2CCCCCCc2sc1N)C(=O)Nc1ccccc1OC	PC-id_17380384,TIMTEC419583,ZINC22_2558521,MCULE-2838403732,CoCoCo_6813338,EMOLS-id_3785222	330.444	RBRSZUDSZOWMNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060316
c1(c2CCCCCCc2sc1N)C(=O)Nc1ccc(cc1)OC	TIMTEC154262,CoCoCo_6823031,ZINC22_2558519,PC-id_17255530,EMOLS-id_3785218,MCULE-4745332459	330.444	FRTPGXUZIUXTGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060317
c1(c2CCCCCCc2sc1N)C(=O)Nc1cccc(OC)c1	TIMTEC331483,EMOLS-id_3785220,CoCoCo_6814869,MCULE-9330195275,ZINC22_2558520,PC-id_17381132	330.444	NHJCPOBRZVCUMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060318
c1(C(=O)NCCc2ccc(cc2)SC)c2CCCCCc2on1	MCULE-1392199684,TIMTEC449532,ZINC22_20275288,PC-id_17254385,EMOLS-id_21980691	330.444	SJEPWWAGMUITGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060319
c1(NC(=O)Cc2ccc(cc2)OCC)sc2c(CCCCC2)n1	MCULE-1743910031,EMOLS-id_334602608	330.444	DLBGFEYHVXXRRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060320
c1(NC(=O)CCCOc2ccccc2)sc2c(CCCCC2)n1	MCULE-7017083804,EMOLS-id_334606200,PC-id_29859274	330.444	OLQGYFQALKVUQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060321
c1(NC(=O)COc2ccc(cc2C)C)sc2c(CCCCC2)n1	EMOLS-id_334605681,MCULE-9653835095	330.444	WBZFVJKXLTXBBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060322
c1(NC(=O)COc2ccccc2CC)sc2c(CCCCC2)n1	MCULE-1506030149,EMOLS-id_334602365	330.444	FYNQLRKHDMXIAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060323
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCCCC2)n1	MCULE-6932991969,EMOLS-id_334602360	330.444	TZMIWCJUCASMNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060324
Cc1ccc(cc1)COCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319251543	330.444	FCFBZYZTAWCBBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060325
Cc1cccc(OCC(=O)Nc2nc3CCCCCc3s2)c1C	PC-id_24603977,ZINC22_12827720,MCULE-4590090773,EMOLS-id_30660786	330.444	SBHCDDGRWIAVEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060326
Cc1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCCCC3)on1	ZINC22_47287628,PC-id_52256228	330.444	KFOWZXKCOQGPLG-AWEZNQCLSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060327
Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCCCC3)on1	ZINC22_47287629,PC-id_52256229	330.444	KFOWZXKCOQGPLG-CQSZACIVSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060328
Cc1cc(CNC(=O)c2sc3c(c2)CCCCCC3)cc(=O)[nH]1	EMOLS-id_319610595	330.444	OUUXVWFQURFYSP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060329
Cc1noc(c1)C1CCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_47037462,MCULE-1940655059,EMOLS-id_31964651	330.444	KFOWZXKCOQGPLG-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060330
C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2	EMOLS-id_101599914	330.444	XTEWREMIYDXBCR-HIFRSBDPSA-N	00000010100000000100000000000010000000000000000000000000	31-01-060331
CC(COc1ncccc1C(=O)N1CCCc2c(C1)ccs2)C	EMOLS-id_318057224	330.444	YAUXXFVPUXXNJD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060332
C[C@@H](NC(=O)Cn1c2c(sc1=O)CCCCC2)c1ccccc1	ZINC22_112973466	330.444	HPQQYECBLPMFSQ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060333
CCN(C(=O)c1cc2c(s1)CCCCC2)c1ccc(OC)nc1	ZINC22_84779626,MCULE-8557549586,EMOLS-id_44549782,PC-id_47775400	330.444	RSGMTVWPOAMMRO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060334
CCOc1ccc(cc1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320288117,MCULE-3654834208	330.444	UCGZGVWOLQYBBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060335
CC(Oc1ccc(cc1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_320277587,MCULE-2938169340	330.444	NIWVDQXMDUNJFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060336
CCOC(C(=O)N1CCCCc2c1sc(n2)C)c1ccccc1	EMOLS-id_320088101,MCULE-7345815343	330.444	LKCFCCJCJRAERF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060337
CCOC(=O)c1sc2c(c1N)CCN(CC2)Cc1ccccc1	PC-id_13072057,SCHEMBL11176075	330.444	JLCCUPCOQLCUID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060338
COc1cccc(c1)CC(C(=O)N1CCCc2c(C1)ccs2)N	MCULE-4890479355	330.444	BAFFTHJOCNFQIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060339
COc1ccc(cc1)CCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320130650,MCULE-3708922543	330.444	KWZOYCNDPILBSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060340
COc1cccc(c1)CCC(=O)N1CCCCc2c1sc(n2)C	MCULE-3612792718,EMOLS-id_320211036	330.444	KHFARJNFLRIJGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060341
COc1ccc(cc1CC(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319373253	330.444	UJWWNYXZTRHXRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060342
COc1cccc(c1)C(C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319771635	330.444	TUJJTTSXXCUEQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060343
COc1ccc(c(c1)NC(=O)c1sc2c(c1)CCCCCC2)N	PC-id_119420939	330.444	RNVGPNFMOWEGPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060345
COc1ccc(N(C)C(=O)c2cc3c(s2)CCCCCC3)cn1	PC-id_48735497,ZINC22_65741191,MCULE-9593766183,EMOLS-id_44553139	330.444	VIYVPSXPMKUETO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060346
COc1cc(CNC(=O)c2cc3c(s2)CCCCCC3)ccn1	EMOLS-id_24965483,MCULE-6801948752,CoCoCo_4643978,PC-id_40141641,ZINC22_32905178	330.444	NJPNPQUODGNKGO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060347
COc1ncccc1CNC(=O)c1cc2c(s1)CCCCCC2	CoCoCo_4760072,PC-id_38532868,EMOLS-id_25666157,MCULE-2358669611,ZINC22_31318427	330.444	CPQHTSGAPKECQG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060348
COc1nc(C)cc(c1Cc1sc2c(c1C)C(=O)NCCC2)C	PC-id_145265664	330.444	FALFEMUUVOWSOE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060349
COCc1cccc(c1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319341320	330.444	SUWWOLKRIGAZJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060350
COCCC1CN(Cc2cccn2C1)C(=O)/C=C/c1cccs1	EMOLS-id_313838119	330.444	VBEYJJCUJIQRAG-VOTSOKGWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-060351
COCC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2cccn2C1	ZINC22_585095515	330.444	VBEYJJCUJIQRAG-LFAOLKIESA-N	00000000100100000101000000000010000000000000000000000000	31-01-060352
COCC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2cccn2C1	ZINC22_585095516	330.444	VBEYJJCUJIQRAG-LQYUOIDQSA-N	00000000100100000101000000000010000000000000000000000000	31-01-060353
N#Cc1c(NC(=O)C2CC3OC2CC3)sc2c1CCCCCC2	EMOLS-id_303402124	330.444	ODBWIKWDULRVQX-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-060354
N#Cc1c(NC(=O)[C@@H]2C[C@@H]3O[C@H]2CC3)sc2c1CCCCCC2	EMOLS-id_101599932	330.444	ODBWIKWDULRVQX-KYOSRNDESA-N	00000010100010000100000000000110000000000000000000000000	31-01-060355
NCCOc1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_302219976,MCULE-6691746628,PC-id_120311281	330.444	ZIMLIMVMVOMUNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060356
O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)c1cnco1	EMOLS-id_319253211	330.444	ANLSGPMTMGATHF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-060357
O=C(c1sc2c(c1)CCCCCC2)Nc1c(C)noc1C1CC1	EMOLS-id_99400794	330.444	SYKOMBAQAYGLPS-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-060358
OCC(c1ccccn1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_319433925	330.444	LEFRITNPCSMOMI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060359
O=C(CCc1ccccc1O)Nc1nc2c(s1)CCCCCC2	MCULE-3569631999,PC-id_53508761,ZINC22_65490717,EMOLS-id_35734367	330.444	QEPMGIBWXSYALE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060360
OCCN(C(=O)c1cc2c(s1)CCCCC2)Cc1cccnc1	PC-id_109893854	330.444	ABKUFBFYGVMHOT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060361
O=C(N1CCC(C1)c1ccon1)c1sc2c(c1)CCCCCC2	EMOLS-id_319320187	330.444	YRUABNHPIZXHQX-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060362
O=C(N1CCCCc2c1sc(n2)C)[C@@H](OCc1ccccc1)C	EMOLS-id_320034723,MCULE-7522022258	330.444	HOUTVMGPZSYXDO-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060363
O=C(NCCOc1cccnc1)c1cc2c(s1)CCCCCC2	MCULE-8407369610,EMOLS-id_50321558,ZINC22_170626741,PC-id_99808015	330.444	RMCHMAUJGCHKPM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060364
s1c2CCCCCc2cc1C(=O)NCC1C(=CC(=NC1=O)C)C	PC-id_78640624	330.444	GQRLVWMNQGKEAL-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-060365
s1c2CCCCCc2cc1C(=O)NCc1c(cc([nH]c1=O)C)C	PC-id_8243705	330.444	HTGBNLJIVPCPBX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060366
s1c2c(CCCCC2)c(c1N)C(=O)NCc1ccc(OC)cc1	PC-id_20109803	330.444	XXGIEUYNJAJLAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060367
s1c2c(CCCCC2)c(c1N)C(=O)NCc1c(OC)cccc1	PC-id_20109802	330.444	AXIADKLNTWHYKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060368
s1c2CCCCCc2nc1NC(=O)CCc1ccc(OC)cc1	PC-id_46699276	330.444	CFJQJVLFAVEIDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060369
s1c2CCCCCc2nc1NC(=O)CCc1cc(OC)ccc1	PC-id_24620380	330.444	KPZHABIQDHNKLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060370
s1c2CCCCCc2nc1NC(=O)CCc1c(OC)cccc1	PC-id_24646751	330.444	RYRNCFNFPCIKPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060371
s1c2CCCCCCc2nc1NC(=O)c1ccc(cc1)COC	PC-id_56021333	330.444	VONGTSNLNNOWHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060372
s1c2CCCCCCc2nc1NC(=O)C(Oc1ccccc1)C	PC-id_56022615	330.444	AXILHZNDWXPQTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060373
s1c2CCN(CCc2c(c1N)C(=O)OCC)Cc1ccccc1	PC-id_13072058	330.444	AVGTWUGJAZLUQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060374
CC(C)COCC1CN(Cc2cncn2C1)S(=O)(=O)N(C)C	EMOLS-id_49233791	330.446	ZKSTVIFDIZUTNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060375
CC(C)COC[C@H]1CN(S(=O)(=O)N(C)C)Cc2cncn2C1	ZINC22_96209736,PC-id_97477863	330.446	ZKSTVIFDIZUTNP-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060376
CC(C)COC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cncn2C1	ZINC22_96209737,PC-id_97477864	330.446	ZKSTVIFDIZUTNP-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060377
c1(C2CCCN2C(=O)c2cc3c(CCCCC3)s2)[nH]nc(C)n1	PC-id_90653312,MCULE-6265222202,EMOLS-id_50547809	330.448	GACGDSLPFMZEBV-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060378
c1(CN(C)C(=O)c2cccnc2SC)c2CCCCCc2[nH]n1	ZINC22_219940622,MCULE-6390868133,EMOLS-id_50534937,PC-id_90649802	330.448	KFYSRSHKEPWXHR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060379
c1(C(=O)Nc2sc3c(CCCCC3)n2)c2CCCCCc2[nH]n1	EMOLS-id_323249084,MCULE-9662332445	330.448	AYZIRVZIVLFECQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060380
c1(C(=O)NCc2cc3n(CCCNC3)n2)csc2CCCCc12	MCULE-5645151383,PC-id_70769728,EMOLS-id_44446227,ZINC22_82138634	330.448	LVKAYRZCCQMOPN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060381
c1(C(=O)N(Cc2ccc(C)s2)C2CC2)nnc2CCCCCn12	ZINC22_1506406908,MCULE-8007742420,EMOLS-id_316266532	330.448	HJWFGZJRIZZJNN-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-060382
c1(NC(=O)CSc2cccc(C)c2C)nnc2CCCCCn12	EMOLS-id_30307761,PC-id_52102021,MCULE-2004935611,ZINC22_41104858	330.448	BPXGLAXSVKEXRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060383
CC1CCc2c(C1)c([nH]n2)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318848061	330.448	QWWZQMNUGNLCFF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060384
CC1CCc2n(C1)cc(n2)C(=O)N1CCCCc2c1sc(n2)C	MCULE-8293058034,EMOLS-id_319874264	330.448	FCUMNCDLWWCYAW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060385
Cc1cccc(c1)NC(=O)C(Sc1nnc2n1CCCCC2)C	PC-id_46792270,EMOLS-id_318397238	330.448	QEXDORARSDPYQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060386
Cc1cc(C)cc(NC(=O)CSc2nnc3n2CCCCC3)c1	MCULE-4280377531,CoCoCo_3082129,ZINC22_6098187,PC-id_7877421,EMOLS-id_25622641	330.448	BOIDROUMPNZAEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060387
Cc1cccc(NC(=O)CSc2nnc3CCCCCn23)c1C	MCULE-3446215486,ZINC22_6098097,CoCoCo_6269425,EMOLS-id_10084081,PC-id_7877364	330.448	GXZBRMJCDYHPGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060388
Cc1ccc(CNC(=O)CSc2nnc3n2CCCCC3)cc1	ZINC22_8187008,MCULE-7925565639,PC-id_16318095,EMOLS-id_3675868,CoCoCo_3081732	330.448	ISOZZGVYMZNCMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060389
Cc1ccc(NC(=O)CSc2nc3n(n2)CCCCC3)c(C)c1	CoCoCo_5900360,MCULE-5731120525,ZINC22_390135,PC-id_4186302,CoCoCo_5900361	330.448	LKFIWHBYJAQUFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060390
Cc1ccc(NC(=O)CSc2nnc3CCCCCn23)c(C)c1	EMOLS-id_15729806,PC-id_3469948,ZINC22_4619768,CoCoCo_5791884,MCULE-9892694809	330.448	PWZCHBFJWAGUJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060391
CC1CCn2c(C1)nc(c2)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319646318	330.448	BOXCFISHTGADDA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060392
Cc1cn2c(n1)CCC(C2)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_319604270	330.448	GHOMMAGSAQSJDO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060393
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1scnc1C1CCCC1	EMOLS-id_319209350	330.448	BJTCFYCAKVARSZ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060394
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccn(n1)C1CCCC1	MCULE-7052935716,EMOLS-id_320007327	330.448	JFCLJJTXMRKPET-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060395
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccnn1CC1CCC1	EMOLS-id_319486640	330.448	FIGMDZUFQMHPMS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-060396
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc(nc1C)C(C)C	EMOLS-id_319572900	330.448	UCLPYFMCZUPXOC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060397
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc(nc1)C(C)(C)C	MCULE-5307374124,EMOLS-id_320053595	330.448	LWZPGIVRAQIRJC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060398
Cc1nc2c(s1)N(CCCC2)C(=O)c1nn(c2c1CCCC2)C	EMOLS-id_318792598	330.448	WYHSFTKVECBWIN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060399
Cc1nc(NNC(=O)c2sc3c(c2)CCCCCC3)nc(c1)C	PC-id_25664192,MCULE-5080233059,CoCoCo_4562351,EMOLS-id_18921470	330.448	OPWYPQFFCYQFFA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060400
Cc1[nH]nc(n1)C1CCN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_101672420	330.448	XXISAQIYZNCWIV-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060401
Cc1[nH]nc(n1)C1CN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_318892035	330.448	ZZHNGRQVBYOHPZ-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-060402
Cc1[nH]nc(n1)[C@@H]1CCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_99994375	330.448	GACGDSLPFMZEBV-ZDUSSCGKSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060403
Cc1[nH]nc(n1)[C@H]1CCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_99994379	330.448	GACGDSLPFMZEBV-CYBMUJFWSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060404
Cc1nnc2n1CC(CC2)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_49989801,PC-id_86772285,MCULE-4093480287	330.448	HDVGSFMQMNSWKS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060405
Cc1nnc2n1C[C@H](NC(=O)c1cc3c(s1)CCCCC3)CC2	ZINC22_97198319,PC-id_97845778	330.448	HDVGSFMQMNSWKS-CYBMUJFWSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060406
Cc1nnc2n1C[C@@H](NC(=O)c1cc3c(s1)CCCCC3)CC2	ZINC22_97198320,PC-id_97845779	330.448	HDVGSFMQMNSWKS-ZDUSSCGKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060407
Cc1nn(c(n1)C)C1CN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98057381	330.448	GDRZZRRPVIMTAV-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-060408
Cc1sc2c(n1)CCCCN2C(=O)C1CCc2n(C1)cc(n2)C	EMOLS-id_318862467	330.448	VJLFNFOYAGWWDF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060409
Cc1sc2c(n1)CCCCN2C(=O)C1CCc2n(C1)c(C)nc2	EMOLS-id_319214327	330.448	IHNKCZJWMLIKGD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060410
Cc1sc2c(n1)CCCCN2C(=O)C1CCn2c(C1)nc(c2)C	MCULE-8921743274,EMOLS-id_320268578	330.448	KPBQHNZBNATPMW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060411
Cc1sc2c(n1)CCCCN2C(=O)Cc1nc2n(c1)CCCC2	EMOLS-id_318838795	330.448	DCGORJQHBJOONU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060412
CCc1cccc(c1)NC(=O)CSc1nnc2n1CCCCC2	PC-id_7876626,EMOLS-id_318398263	330.448	DFBMEIYADVHEFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060413
CCc1nnc(cc1C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_99548879	330.448	RCCMOVFCVZUFFA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060414
CC(C(=O)NCc1ccccc1)Sc1nnc2n1CCCCC2	EMOLS-id_11812845,MCULE-7334784628,PC-id_16365057	330.448	NXSIOWHOEAAKQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060415
C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1nnc2n1CCCCC2	ZINC22_29897194	330.448	JJNXMIFKPLAQPU-LLVKDONJSA-N	00000010100000000101000010000010000000000000000000000000	31-01-060416
C[C@H](NC(=O)c1cc2c(s1)CCC2)c1nnc2n1CCCCC2	ZINC22_29897197	330.448	JJNXMIFKPLAQPU-NSHDSACASA-N	00000010100000000101000010000010000000000000000000000000	31-01-060417
C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1nnc2n1CCC2	PC-id_97089740,ZINC22_89913815	330.448	JNYISBPJGQEAFT-NSHDSACASA-N	00000010100000000101000010000010000000000000000000000000	31-01-060418
C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1nnc2n1CCC2	PC-id_97089741,ZINC22_89913816	330.448	JNYISBPJGQEAFT-LLVKDONJSA-N	00000010100000000101000010000010000000000000000000000000	31-01-060419
C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccccc1	PC-id_7877482,ZINC22_6098274,CoCoCo_3082153	330.448	NISFORHMJWULNV-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060420
C[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccccc1	ZINC22_6098271,PC-id_7877480,CoCoCo_3082154	330.448	NISFORHMJWULNV-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060421
C[C@H](NC(=O)Nc1nc2c(s1)CCCCCC2)c1ccccn1	ZINC22_194521379	330.448	BBKKTDPNOXXIMI-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060422
C[C@@H](NC(=O)Nc1nc2c(s1)CCCCCC2)c1ccccn1	ZINC22_194521388	330.448	BBKKTDPNOXXIMI-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060423
C[C@H](Sc1ccccn1)C(=O)NCc1n[nH]c2c1CCCCC2	PC-id_100026953,ZINC22_218810852	330.448	SYZZCKYRJCJETA-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060424
C[C@@H](Sc1ccccn1)C(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_218810788,PC-id_100026952	330.448	SYZZCKYRJCJETA-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060425
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)NCc1ccccc1	CoCoCo_3081781,PC-id_7877014,ZINC22_6097625	330.448	NXSIOWHOEAAKQH-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060426
C[C@H](Sc1nnc2n1CCCCC2)C(=O)NCc1ccccc1	PC-id_7877013,CoCoCo_3081780,ZINC22_6097623	330.448	NXSIOWHOEAAKQH-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060427
CCn1nc(c(c1)C(=O)Nc1nc2c(s1)CCCCC2)C1CC1	EMOLS-id_319332510	330.448	VDIDBYWXHBWSRG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-060428
CC(Nc1ccc(cn1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319135289	330.448	AKKUASVAYXXOSQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060429
CC(Sc1ccccc1NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316536710	330.448	HEGNUSZUXNKJPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060430
CC(Sc1ccccn1)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-3938828144,EMOLS-id_55618146,PC-id_91765482	330.448	SYZZCKYRJCJETA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060431
CN1CCCC1c1n[nH]c(c1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319239537	330.448	SNIBAVJRNQKTFJ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060432
CN1CCn2c(C1)cc(n2)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_319003853	330.448	OODZHTUIDMVUPW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060433
Cn1ncc(c1)[C@@H]1C[C@H]1C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101482634	330.448	UTCJAGYMBIGVDD-QWHCGFSZSA-N	00100000100000000101100000000010000000000000000000000000	31-01-060434
Cn1nc(c(c1)C(=NNC(=O)c1cc2c(s1)CCCCC2)C)C	PC-id_72048907,EMOLS-id_37005873,MCULE-3657615625	330.448	XGKBLDKIGBDVBJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060435
Cn1nc(c(c1)/C(=N/NC(=O)c1cc2c(s1)CCCCC2)/C)C	PC-id_94583578	330.448	XGKBLDKIGBDVBJ-WOJGMQOQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060436
CN(C)c1nccc(CNC(=O)c2cc3c(s2)CCCCC3)n1	MCULE-4352524650,EMOLS-id_276223451,ZINC22_678864938	330.448	HBMANOSRCHXBJX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060437
CN(Cc1nnc2n1CCC2)C(=O)c1cc2c(s1)CCCCC2	PC-id_53513398,ZINC22_65548944,MCULE-7852587710,EMOLS-id_35706570	330.448	DJFVQKXXYALJCT-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-060438
CN(C)Cc1cnc2CCN(CCn12)C(=O)/C=C/c1cccs1	EMOLS-id_313782220,ZINC22_1565542800	330.448	SYBOBIDVAAVEIL-AATRIKPKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-060439
CN(C)C(=O)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_7081636,CoCoCo_4013277,PC-id_8211720	330.448	QAMXKUSKNBQHEA-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060440
CN(C)C(=O)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_7081638,CoCoCo_4013278,PC-id_8211722	330.448	QAMXKUSKNBQHEA-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060441
CN(C(=O)C(c1ccccc1)Sc1nnc2n1CCCCC2)C	EMOLS-id_3630820,MCULE-7786722931,PC-id_16342381	330.448	QAMXKUSKNBQHEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060442
CN(C(=O)Nc1sc2c(n1)CCCCCC2)Cc1ccccn1	EMOLS-id_101066512	330.448	GCWJHBVRXWTDOB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060443
CSc1ccc(cc1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_86920423	330.448	OZBAWNYBFZTELS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060444
CSc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101967822	330.448	FHGCLUIHXIJSJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060445
CSc1cc(C)ccc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101862659	330.448	FJHPAKVLNLPNRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060446
n12CCNCc1cc(CNC(=O)c1cc3c(CCCCC3)s1)n2	ZINC22_82120127,MCULE-7254801087,PC-id_70746722,EMOLS-id_44438291	330.448	JAVSREGEPTXDPW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060447
Nc1ccc(nc1)CC(=O)NCCc1nc2c(s1)CCCCC2	MCULE-6865675625,EMOLS-id_320000203	330.448	IFNHNFIXHDPJGY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060448
N[C@H](C(=O)Nc1sc2c(n1)CCCCCC2)Cc1ccncc1	EMOLS-id_320000428,MCULE-4935682896	330.448	UGCREKGIAUXXQF-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060449
O=C1CCCN1CC1CN(Cc2cccs2)Cc2nccn2C1	EMOLS-id_44326249	330.448	QNJIAJBBFQIEOU-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060450
O=C1CCCN1CC1CN(Cc2ccsc2)Cc2nccn2C1	EMOLS-id_44326251	330.448	JHBGLOUPXRAOGO-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060451
O=C1CCCN1Cc1ncn2c1CN(Cc1cccs1)CCC2	EMOLS-id_44370286,PC-id_97519453,CHEMBL3551240,ZINC22_96259369	330.448	YLSGMWUCELTYHF-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060452
O=C1CCCN1C[C@@H]1CN(Cc2cccs2)Cc2nccn2C1	ZINC22_96188410,PC-id_97462848	330.448	QNJIAJBBFQIEOU-CQSZACIVSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060453
O=C1CCCN1C[C@H]1CN(Cc2cccs2)Cc2nccn2C1	ZINC22_96188411,PC-id_97462849	330.448	QNJIAJBBFQIEOU-AWEZNQCLSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060454
O=C1CCCN1C[C@@H]1CN(Cc2ccsc2)Cc2nccn2C1	PC-id_97462850,ZINC22_96188412	330.448	JHBGLOUPXRAOGO-OAHLLOKOSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060455
O=C1CCCN1C[C@H]1CN(Cc2ccsc2)Cc2nccn2C1	PC-id_97462851,ZINC22_96188413	330.448	JHBGLOUPXRAOGO-HNNXBMFYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060456
O=C(c1cc2c(s1)CCCCC2)N1CCCC(C1)n1nncc1	EMOLS-id_102132130	330.448	VAUBOEHWGFUVSR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-060457
O=C(c1cc2c(s1)CCCCC2)NC1CC(C1)Cn1nncc1	EMOLS-id_319436375	330.448	GNMXFTUBRMRDAZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-060458
O=C(c1cc2c(s1)CCCCC2)NC(c1nnc2n1CCC2)C	PC-id_71899534,MCULE-6013252471,EMOLS-id_45744279	330.448	JNYISBPJGQEAFT-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-060459
O=C(c1cc2c(s1)CCCCC2)NCc1nnc(n1C)C1CC1	EMOLS-id_98953008	330.448	ANTHLBVHQBHIIM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-060460
O=C(c1cc2c(s1)CCCCC2)NCc1nnn(c1)C1CCC1	EMOLS-id_318351254	330.448	UOBXEFJTCHOQMH-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-060461
O=C(c1cc2n(n1)CCCC2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101237038	330.448	JYEUDOCZIRQSJW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060462
O=C(C1CCc2c(C1)cn[nH]2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98094851	330.448	KAXDIPOODRYBGZ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060463
O=C(C1CCc2c(C1)[nH]nc2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111197800	330.448	KTOQRRCWEPCGBD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060464
O=C(C1CCc2n(CC1)cnn2)NCc1cc2c(s1)CCCC2	EMOLS-id_316662866	330.448	VXPFQRNKFKNKGQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060465
O=C(c1cccs1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	PC-id_97462818,ZINC22_96188379	330.448	WYFQBRFORLCPCY-CQSZACIVSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060466
O=C(c1cccs1)N1Cc2nccn2C[C@H](CN2CCCC2)C1	ZINC22_96188378,PC-id_97462817	330.448	WYFQBRFORLCPCY-AWEZNQCLSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060467
O=C(c1cccs1)N1CCCn2cnc(CN3CCCC3)c2C1	ZINC22_96259287,EMOLS-id_44370118,PC-id_97519371	330.448	YXBGWGXJKJEODN-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060468
O=C(c1ccn(n1)C1CCCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_100275602	330.448	AJMIRXRLBYYZMD-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060469
O=C(c1cc(n(n1)C)C1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99649017	330.448	UUGVRQXXPDXXKJ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-060470
O=C(c1ccsc1)N1Cc2nccn2C[C@H](CN2CCCC2)C1	ZINC22_96188366,PC-id_97462805	330.448	XWCIGRKCNYDZLB-AWEZNQCLSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060471
O=C(c1ccsc1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_96188367,PC-id_97462806	330.448	XWCIGRKCNYDZLB-CQSZACIVSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060472
O=C(c1ccsc1)N1CCc2ncc(CN3CCCC3)n2CC1	ZINC22_96196859,EMOLS-id_44328651,PC-id_97467003	330.448	VPOUSZBCNSQKEE-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060473
O=C(c1ccsc1)N1CCCn2cnc(CN3CCCC3)c2C1	PC-id_97519372,EMOLS-id_44370120,ZINC22_96259288	330.448	PFCBUVFJOSHLIR-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060474
O=C(C1CN(Cc2ccsc2)Cc2ccnn2C1)N1CCCC1	EMOLS-id_44326663,PC-id_118745755,CHEMBL3551302	330.448	QAILZMSCZFKKNH-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060475
O=C(c1nn(c2c1CCCC2)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_101224705	330.448	JJJGPYBXEKRRFG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060476
O=C(c1sc2c(c1)CCC2)NC(c1nnc2n1CCCCC2)C	PC-id_53517552,EMOLS-id_35699498,MCULE-1554588833	330.448	JJNXMIFKPLAQPU-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-060477
O=C(c1sc2c(CCCCC2)c1)NCc1n2c(CCCC2)nn1	EMOLS-id_55618978,ZINC22_41140794,PC-id_91765766,MCULE-3000525061	330.448	GDNBSYGYFRRCFH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060478
O=C(c1scnc1C1CCCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101676491	330.448	RPFHROYUOPHKOF-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060479
O=C([C@H]1CN(Cc2ccsc2)Cc2ccnn2C1)N1CCCC1	ZINC22_96188806,PC-id_97463237	330.448	QAILZMSCZFKKNH-HNNXBMFYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060480
O=C([C@@H]1CN(Cc2ccsc2)Cc2ccnn2C1)N1CCCC1	ZINC22_96188807,PC-id_97463238	330.448	QAILZMSCZFKKNH-OAHLLOKOSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060481
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Cc1scc(n1)C1CC1	EMOLS-id_319204171	330.448	ZTJBXGZHPDSKKC-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-060482
O=C(N1CCC(C1)c1[nH]cnn1)c1sc2c(c1)CCCCCC2	EMOLS-id_102246927	330.448	DDLXFEKABFVWGN-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060483
O=C(N1CCCc2c(C1)ccs2)NCc1cccc(n1)N(C)C	EMOLS-id_318137129	330.448	KFASFLAJYQWGQO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060484
O=C(N1CCCc2c(C1)cnn2C)NC1CCCc2c1ccs2	EMOLS-id_101699609	330.448	LPPXRXBFMHXQNT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060485
O=C(N1CCCc2c(C1)cnn2C)NC(c1cccs1)C1CC1	EMOLS-id_101715254	330.448	YLFMHNGQRYKIOQ-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-060486
O=C(N1CCCCc2c1sc(n2)C)C1CCc2c(C1)n(C)nc2	EMOLS-id_319295626	330.448	BKKFQQZYMDVZKK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060487
O=C(N1CCC[C@H]1c1[nH]ncn1)c1sc2c(c1)CCCCCC2	EMOLS-id_278472011	330.448	LCDHBYKWTOGLTF-ZDUSSCGKSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060488
O=C(N1CC(CN2CCCC2)Cn2ccnc2C1)c1cccs1	EMOLS-id_44326219	330.448	WYFQBRFORLCPCY-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060489
O=C(N1CC(CN2CCCC2)Cn2ccnc2C1)c1ccsc1	EMOLS-id_44326207	330.448	XWCIGRKCNYDZLB-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060490
O=C(N1CCn2c(C1C)nnc2)c1sc2c(c1)CCCCCC2	EMOLS-id_111595377	330.448	BQCAGOFEKHORBB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060491
O=C(Nc1c(C)cccc1C)CSc1nnc2n1CCCCC2	PC-id_7877379,EMOLS-id_318394939	330.448	RLVFZWXORYBGFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060492
O=C(Nc1nc2c(s1)CCCCC2)c1ccnn1C1CCCC1	ZINC22_330119174,EMOLS-id_100331864,MCULE-6960790474	330.448	ZLSLOWMWGDJAQB-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060493
O=C(Nc1sc2c(n1)CCCCCC2)NCc1ccc(nc1)C	EMOLS-id_101103905	330.448	LTCDZUUDRLNLFF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060494
O=C(Nc1sc2c(n1)CCCCCC2)NCc1ccncc1C	EMOLS-id_101103827	330.448	QQXXRFZDWDXDAG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060495
O=C(Nc1sc2c(n1)CCCCCC2)NCc1cncc(c1)C	EMOLS-id_101074417	330.448	RIXKIKDQQMZWAG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060496
O=C(Nc1sc2c(n1)CCCCCC2)NCc1ncccc1C	EMOLS-id_101069215	330.448	QEDKYQJUEOBHFR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060497
O=C(Nc1sc2c(n1)CCCCCC2)NCCc1cccnc1	EMOLS-id_101100935	330.448	QECPZSIJSITBHM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060498
O=C(Nc1sc2c(n1)CCCCCC2)NCCc1ccncc1	EMOLS-id_101103923	330.448	RNBRDTOGBMYNQI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060499
O=C(NCC1CC1)C1CN(Cc2cccs2)Cc2ccnn2C1	EMOLS-id_46128731,PC-id_118739377	330.448	HHMHSNTVWZRQHS-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-060500
O=C(NCC1CC1)[C@@H]1CN(Cc2cccs2)Cc2ccnn2C1	PC-id_97367694,ZINC22_96044181	330.448	HHMHSNTVWZRQHS-CQSZACIVSA-N	00100000100100000101000000000010000000000000000000000000	31-01-060501
O=C(NCC1CC1)[C@H]1CN(Cc2cccs2)Cc2ccnn2C1	ZINC22_96044182,PC-id_97367695	330.448	HHMHSNTVWZRQHS-AWEZNQCLSA-N	00100000100100000101000000000010000000000000000000000000	31-01-060502
O=C(NC(c1ccccc1)C)CSc1nnc2n1CCCCC2	MCULE-1043927321,PC-id_16333632,EMOLS-id_3625908	330.448	NISFORHMJWULNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060503
O=C(NC(c1ccccn1)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_189704373,MCULE-3075523732	330.448	BBKKTDPNOXXIMI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060504
O=C(NC(c1cccnc1)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101074624	330.448	CLNSANCMGZGROE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060505
O=C(NCc1nnc2n1CCC2)c1cc2c(s1)CCCCCC2	ZINC22_40025393,EMOLS-id_44026653,PC-id_45863209,CoCoCo_4474335,MCULE-3805954371	330.448	RAJDSMMLCJKSSH-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-060506
O=C(NCc1nnc2n1CCCCC2)c1cc2c(s1)CCCC2	CoCoCo_4336656,PC-id_45799576,MCULE-7545449134,EMOLS-id_31859765,ZINC22_40475421	330.448	KJLITZWQPIMSOM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060507
O=C(NCc1nnc2n1CCCCC2)c1csc2c1CCCC2	ZINC22_48366952,EMOLS-id_30750777,PC-id_47014554,MCULE-4120103098	330.448	XGUXUSJGOSTNJJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060508
O=C(NCc1nncn1C1CC1)c1cc2c(s1)CCCCCC2	PC-id_71932415,ZINC22_89765026,MCULE-6708392834,EMOLS-id_45647950	330.448	URDIEZCUUICXFV-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-060509
O=C(NCCc1ccccn1)Nc1nc2c(s1)CCCCCC2	ZINC22_194504162,MCULE-5200840467,EMOLS-id_101106744	330.448	DAUZTNWZRLXUFC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060510
O=C(NCCNc1ncccn1)c1cc2c(s1)CCCCCC2	ZINC22_47992603,PC-id_71896802,EMOLS-id_44528280,MCULE-3136779732	330.448	ZFOVCDIEDHFHNQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060511
s1c2CCCCCc2cc1C(=O)N/N=C(c1c(nn(c1)C)C)/C	PC-id_56797435	330.448	XGKBLDKIGBDVBJ-WQRHYEAKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060512
S(c1n2CCCCCc2nn1)C(C)C(=O)Nc1ccc(cc1)C	PC-id_78559222	330.448	GTGPTAMAKFPFBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060513
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc(c(cc1)C)C	PC-id_7877366	330.448	DZUCRPWSHRJDEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060514
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(CC)cccc1	PC-id_7877439	330.448	CIQINHFKCORLFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060515
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(CC)cc1	PC-id_7877474	330.448	HUMIZQGHPSPGGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060516
S(c1n2CCCCCc2nn1)CC(=O)NCc1c(cccc1)C	PC-id_8379454	330.448	WCAVZMWPDDYFOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060517
S(c1n2CCCCCc2nn1)CC(=O)NCCc1ccccc1	PC-id_7877508	330.448	AFDSJDIYCGQMNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060518
S(c1n2CCCCCc2nn1)[C@H](C)C(=O)Nc1ccc(cc1)C	PC-id_7876777	330.448	GTGPTAMAKFPFBR-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060519
S(c1n2CCCCCc2nn1)[C@@H](C)C(=O)Nc1ccc(cc1)C	PC-id_7876779	330.448	GTGPTAMAKFPFBR-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060520
S(c1n2CCCCCc2nn1)[C@@H](C(=O)Nc1cc(ccc1)C)C	PC-id_7877133	330.448	QEXDORARSDPYQF-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060521
S(c1n2CCCCCc2nn1)[C@H](C(=O)Nc1cc(ccc1)C)C	PC-id_7877135	330.448	QEXDORARSDPYQF-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060522
S(Cc1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1)C	PC-id_51185257	330.448	KTMXMQQIYICWSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060523
S(CC(=O)NCc1n2CCCCCc2nn1)c1c(cccc1)C	PC-id_51266267	330.448	JAOYDGVTMHCHJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060524
S(CC(=O)NCc1n2CCCCCc2nn1)c1ccc(cc1)C	PC-id_51266297	330.448	QREJHMOCDUMBHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060525
S(C(C(=O)NCc1n2CCCCCc2nn1)C)c1ccccc1	PC-id_24646562	330.448	DOSQJVVXPJQSIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060526
S(CC(=O)NCCc1n2CCCCCc2nn1)c1ccccc1	PC-id_52371675	330.448	JWKMSFRMLBMDGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060527
CC(c1nnc2n1CCN(CC2)Cc1c(C)nc2n1ccs2)C	CoCoCo_1564027,CoCoCo_1564026	330.451	WBAYCBWPEHNMME-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-060528
c12-c(ccc1)c(C)cc(C=Cc1ccc(cc1)OCCCC)cc2C	PC-id_4395989,MCULE-2353613491	330.463	UQXOKTBMVJBDAC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-060529
Cc1cc(/C=C/c2ccc(CO)cc2)c2-c1cc(ccc2C)C(C)C	CHEMBL106327,PC-id_23257843	330.463	AUYFTJKFJWHZPT-ZRDIBKRKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-060530
CCCCOc1ccc(cc1)/C=Cc1cc(C)c2-c(c(c1)C)ccc2	CoCoCo_5964212	330.463	UQXOKTBMVJBDAC-KTKRTIGZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-060531
CCCCOc1ccc(/C=C/c2cc(C)c3-c(ccc3)c(C)c2)cc1	CoCoCo_5964211,EMOLS-id_46350327,ZINC22_4603329,PC-id_6089240	330.463	UQXOKTBMVJBDAC-MDZDMXLPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-060532
O=C1C(=C/C(=C/c2c3-c(c(c2)C)cc(C(C)C)ccc3C)/C=C1C)C	PC-id_10982643	330.463	AXVLOTMWVHHMER-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-060533
OCc1ccc(C=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1	PC-id_53663488	330.463	AUYFTJKFJWHZPT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-060534
CNOCC1(F)CCCCCc2c1nnn2CSC(C)(C)C	PC-id_117660071,SCHEMBL16185981	330.464	KTCLAKLUXZFHQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060535
[O-][NH+](C(C)(C)C)Cc1cc(c2-c1ccccc2)C[NH+](C(C)(C)C)[O-]	PC-id_101949589	330.464	CQCTXTAYHRVODK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060536
CC(CS(=O)(=O)CC(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319709181	330.466	UIPUXWVMEPMWGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060537
CCS(=O)(=O)NCC(=O)NCc1cc2c(s1)CCCCC2	PC-id_75433637,EMOLS-id_48799877,MCULE-2836339977,ZINC22_95976070	330.466	GCWCUXVOSJQNMD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-060538
CS(=O)(=O)NCCNC(=O)c1cc2c(s1)CCCCCC2	PC-id_36901587,ZINC22_29678134,MCULE-6957101337,EMOLS-id_36629114	330.466	HMNMKRPKJRCEOK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-060539
O=C(N1CCCCc2c1sc(n2)C)CS(=O)(=O)C(C)(C)C	EMOLS-id_320182001,MCULE-4702637773	330.466	JEMUDYMZDMBXIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060540
s1c2c(CCCCC2)c(c1NS(=O)(=O)CCCC)C(=O)N	PC-id_60001324	330.466	RHWZBWTUVPGGAJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-060541
c12CN(CCCn1nc(CCC(=O)NC1CCCC1)c2)CC=CC	PC-id_77849872,MCULE-4389758761	330.468	BMHMQILDBYFWPR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-060542
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CC1CCCC1	EMOLS-id_44451881,PC-id_70786010,ZINC22_82167343,MCULE-5292517361	330.468	GJYOVUGIWSZUQJ-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-060543
c1(c2CCCCCCc2[nH]n1)C(=O)N1CCCC[C@@H]2[C@H]1CCN2C	ZINC22_19712547,MCULE-1327114759,EMOLS-id_46592445,PC-id_110136274,BDG-23878172	330.468	WOQASBCZRBTGPN-IAGOWNOFSA-N	00000010100000000101000000000110000000000000000000000000	31-01-060544
c1(cc2n(CCCN(C(C)C)C2)n1)C(=O)N1CC=CC1CCCC	EMOLS-id_32376598,MCULE-9762265162,PC-id_50952601	330.468	OCGNGNHHNYOWAX-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-060545
c1(C(=O)N2CCC(CC2)N2CCCCC2)c2CCCCCc2[nH]n1	MCULE-1811743149,EMOLS-id_334765849	330.468	AKLTYOCIPCQFAE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-060546
c1(C(=O)N)cn2c(CCN(CCC3=C(CCCC3(C)C)C)CC2)n1	ZINC22_1940197319,MCULE-7973434119,EMOLS-id_336520632	330.468	HIKHQNHFHUFFNE-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-060547
CC1CN2C(C1)CCC(C2)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319382497	330.468	MMBFXNNCLXLPSG-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-060548
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)NCCC1=CCCCC1)C	EMOLS-id_319622454	330.468	JBYPCKVBDZWMTK-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-060549
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCCN1C1CCCC1	EMOLS-id_319190056	330.468	HEAGDMNROREIAQ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-060550
CCC1CCC(CC1)N(C(=O)C1CCn2c(CC1)nnc2)C1CC1	EMOLS-id_319226547	330.468	TWCBWOAAFXYOGK-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-060551
CCc1ccc(cn1)O/C/1=Cc2sncc2CC/C=C(/S1)C	SCHEMBL18533466	330.468	QGPFHLKHHWPROO-LCZVLDGMSA-N	00000000100000101111000000000010000000000000000000000000	31-01-060552
CC(=CC1C(C1(C)C)C(=O)NCCc1nnc2n1CCCCC2)C	PC-id_51076198,MCULE-6813547881,EMOLS-id_33302987	330.468	AMZGCPQJHOMOBV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060553
O=C1NCCCc2[nH]c(nc12)C(c1ccccc1)(c1ccccc1)C	PC-id_50956407	331.411	QICMORGIWANVIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060967
CCCC[C@H]1C=CCN1C(=O)c1cc2n(n1)CCCN(C(C)C)C2	PC-id_95121661,ZINC22_65375910	330.468	OCGNGNHHNYOWAX-INIZCTEOSA-N	00000011100000000101000000000010000000000000000000000000	31-01-060554
CCCC[C@@H]1C=CCN1C(=O)c1cc2n(n1)CCCN(C(C)C)C2	ZINC22_65375909,PC-id_95121660	330.468	OCGNGNHHNYOWAX-MRXNPFEDSA-N	00000011100000000101000000000010000000000000000000000000	31-01-060555
CC(=C[C@H]1[C@H](C(=O)NCCc2nnc3n2CCCCC3)C1(C)C)C	PC-id_93907157,ZINC22_42766434	330.468	AMZGCPQJHOMOBV-WMLDXEAASA-N	00100000100000000101000000000010000000000000000000000000	31-01-060556
CC(=C[C@@H]1[C@@H](C(=O)NCCc2nnc3n2CCCCC3)C1(C)C)C	PC-id_93907159,ZINC22_42766438	330.468	AMZGCPQJHOMOBV-PBHICJAKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060557
CC(=C[C@H]1[C@@H](C(=O)NCCc2nnc3n2CCCCC3)C1(C)C)C	PC-id_93907160,ZINC22_42766442	330.468	AMZGCPQJHOMOBV-YOEHRIQHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060558
CC(=C[C@@H]1[C@H](C(=O)NCCc2nnc3n2CCCCC3)C1(C)C)C	ZINC22_42766430,PC-id_93907155	330.468	AMZGCPQJHOMOBV-RHSMWYFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060559
C/C=C/CN1CCCn2nc(CCC(=O)NC3CCCC3)cc2C1	EMOLS-id_44861208,PC-id_70736877,ZINC22_82108754	330.468	BMHMQILDBYFWPR-NSCUHMNNSA-N	00000010100000000101000000000010000000000000000000000000	31-01-060560
CO/C=C(N(C=C(C)C)CC)/C=CCc1nc2n(n1)CCCCC2	PC-id_144045775	330.468	OCSWRJGLFMFEEG-CFGFXYLYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060561
NCC1(CCC1)C1CCCCN1C(=O)c1cnc2n1CCCCC2	EMOLS-id_319352452	330.468	TWGTXAPSLBQYHG-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-060562
O=C(CC1CC1)NCc1cnc2n1CCN(CC2)CC1CCCC1	PC-id_97467192	330.468	HISRSDLOWKJZDC-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-060563
O=C(N1CCCc2c(C1)cnn2C)NC1CC2C(C1(C)CC2)(C)C	EMOLS-id_101717607	330.468	SXEXUIVSXUNKJR-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-060564
O=C(NC(C1CC2CC1CC2)C)CN1CCCc2c(C1)cnn2C	EMOLS-id_101738948	330.468	VPEMJLMDGNFIKH-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-060565
s1c2CCCCCc2cc1C(=O)NCc1c(N(C)C)[nH+]ccc1	PC-id_51658320	330.468	FCNNIKPFKTWWDQ-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-060566
s1c2CCCCCc2nc1NC(=O)C1Sc2c(C1)cccc2	PC-id_24604004	330.468	UPRSYQRCHJMFRF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060567
CN(C1CCS(=O)(=O)C1)Cn1nc2n(c1=S)CCCCC2	EMOLS-id_13498445,PC-id_17459153,MCULE-1732119209	330.469	OSABJUZJAWZKNW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-060568
CN(Cn1nc2n(c1=S)CCCCC2)[C@H]1CCS(=O)(=O)C1	CoCoCo_4553688,PC-id_25973796,CoCoCo_4553686,ZINC22_14169466	330.469	OSABJUZJAWZKNW-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-060569
CN(Cn1nc2n(c1=S)CCCCC2)[C@@H]1CCS(=O)(=O)C1	PC-id_25973794,CoCoCo_4553685,ZINC22_14169464,CoCoCo_4553687	330.469	OSABJUZJAWZKNW-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-060570
S1(=O)(=O)CC(NCCSc2n3CCCCCc3nn2)CC1	PC-id_62578582	330.469	ZFPWHOUABCWNTE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-060571
Cc1ccc(s1)c1csc(n1)Cc1nnc2n1CCCCC2	CoCoCo_3955375,PC-id_17500114	330.471	JDVPMBDPYXXKOH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-060572
CC(c1cnn(c1C)C(C)(C)C)NCc1nnc2n1CCCCC2	MCULE-4056981655,EMOLS-id_318131267	330.471	CDOYWHIKKQMGGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060573
CC(c1nc2c(s1)cccc2)Sc1nnc2n1CCCCC2	MCULE-1140854385,PC-id_17533048,EMOLS-id_16774534	330.471	RWBWWNCWTWASKT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060574
CCC(c1nnc2n1CCCCC2)NC(c1cnn(c1)C(C)C)C	EMOLS-id_318265678	330.471	UEZZEPIGAWJSOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060575
C[C@H](Sc1nnc2n1CCCCC2)c1nc2ccccc2s1	CoCoCo_3081471,ZINC22_12812637,PC-id_25530182	330.471	RWBWWNCWTWASKT-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-060576
C[C@@H](Sc1nnc2n1CCCCC2)c1nc2ccccc2s1	PC-id_25530180,ZINC22_12812633,CoCoCo_3081472	330.471	RWBWWNCWTWASKT-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060577
CCN(CC)CC1CN(Cc2cc(C)nn2C)Cc2ccnn2C1	EMOLS-id_50371537	330.471	CAEWYPKGRXOXKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060578
CCN(CC)C[C@H]1CN(Cc2cc(C)nn2C)Cc2ccnn2C1	ZINC22_306124815	330.471	CAEWYPKGRXOXKD-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060579
CCN(CC)C[C@@H]1CN(Cc2cc(C)nn2C)Cc2ccnn2C1	ZINC22_306124816	330.471	CAEWYPKGRXOXKD-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060580
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CC=CC1	PC-id_109771321	330.471	ZPZITUFPGKWJFP-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-060581
CN=C(N1CC2C(C1)CCCC2)NCc1nnc2n1CCCCC2	PC-id_109441655	330.471	XTFHSPUYDYIQAU-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-060582
C/N=C(/NCCC1=CCCCC1)NCc1nnc2n1CCCCC2	PC-id_75533355,ZINC22_75611919	330.471	VDWZCQOLKFBUMU-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-060583
S=c1n(nc2n1CCCCC2)C[NH+]1C(CCC1)c1cccnc1	PC-id_74621165	330.471	WPNAJWXPNVPPFB-UHFFFAOYSA-O	00000010100000101101100000000010000000000000000000000000	31-01-060584
S=c1n(nc2n1CCCCC2)C[NH+]1[C@H](CCC1)c1cccnc1	PC-id_32074075	330.471	WPNAJWXPNVPPFB-OAHLLOKOSA-O	00000010100000101101100000000010000000000000000000000000	31-01-060585
S=c1n(nc2n1CCCCC2)C[NH+]1[C@@H](CCC1)c1cccnc1	PC-id_32074082	330.471	WPNAJWXPNVPPFB-HNNXBMFYSA-O	00000010100000101101100000000010000000000000000000000000	31-01-060586
CCCCCCc1cc(c2-c1ccc(cc2)CS)C(=O)OCC	PC-id_141580535	330.484	INVOXIHMKXMTLV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060587
CC(c1ccc(c2-c(c1)c(C)cc2C=C1C=CC(=[N+](C)C)C=C1)C)C	PC-id_101229410	330.486	PDHJQJVJZIDWAS-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-060588
CC(c1ccc(c2-c(c1)c(C)cc2[CH-]c1ccc(cc1)N(C)C)C)C	PC-id_102159081	330.486	HPRUELFNSNDTCZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-060589
c1(NC(=O)CCC2CCCC2)sc2c(CCCCCC2)c1C#N	ZINC22_135614,SPECS-id_AK-968/12116153,MCULE-3670313459,EMOLS-id_4011960,CoCoCo_5816884,PC-id_726954	330.488	NFPJNLCOWMNSKN-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-060590
s1c2c(CCCCC2)c(c1NC(=O)CCC1CCCCC1)C#N	PC-id_3336721	330.488	BJRFPZCYFLFLEH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-060591
c1cc(CN2CCc3ncc(CN4CCCCC4)n3CC2)cs1	ZINC22_96196880,CHEMBL3552226,PC-id_97467024,EMOLS-id_44328693	330.491	LXTYZQNTXMTHNB-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-060592
Cc1ccc(CN2Cc3nccn3C[C@H](CN3CCCC3)C2)s1	PC-id_97462785,ZINC22_96188346	330.491	VZCQVQFBCMQXBN-MRXNPFEDSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060593
Cc1ccc(CN2Cc3nccn3C[C@@H](CN3CCCC3)C2)s1	ZINC22_96188347,PC-id_97462786	330.491	VZCQVQFBCMQXBN-INIZCTEOSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060594
Cc1ccc(CN2CC(CN3CCCC3)Cn3ccnc3C2)s1	EMOLS-id_44326187	330.491	VZCQVQFBCMQXBN-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-060595
CSCCCN1CCc2nnc(CCc3ccccc3)n2CC1	PC-id_42168596,EMOLS-id_232708995,MCULE-8137399808,ZINC22_11788117	330.491	JZWBUAHTKHQSAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060596
S=c1n2CCCCCc2nn1CN(Cc1c(cc(cc1)C)C)C	PC-id_9280012	330.491	QDDAIUAEQQOLFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060597
NNC(c1cc2c(s1)CCCCC2)CCCS(=O)(=O)CC	PC-id_105310786	330.509	KZCRSGWKVJOKHL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-060598
C=C(CC1CCSc2c(C1=N)ccs2)NC1CC=C(C=C1)C	PC-id_141848705	330.511	PWNOSPAAIFRZDI-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-060599
CC(c1sc(c2c1SCCOCCS2)C(C)(C)C)(C)C	SCHEMBL21029151,PC-id_138659764	330.572	MWDXEXWOMATJNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060600
Clc1ccc(c(c1)F)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316709375	330.766	KYHPKRIKZMRRSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060601
Clc1cccc(c1F)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319956991,MCULE-3704118447	330.766	XFTAOSSPPUVWPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060602
COc1cc(C=O)ccc1OCc1nc2c([nH]1)CC=CC(=C2)Cl	PC-id_143713221	330.766	BUCYYAAASRZWMV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-060603
Fc1ccc(c(c1)Cl)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319042640	330.766	SVBJEWLMYWNXKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060604
Fc1ccc(c(c1)S(=O)(=O)N1CCCn2c(C1)cnn2)Cl	EMOLS-id_319887759,MCULE-6787733530	330.766	OFXJAHSJHGDQMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060605
C1CCc2nnc(n2CC1)/C(=C/c1cc(c(c(c1)Cl)O)O)/C#N	PC-id_135734494	330.769	CGDUXIVBIVSPRK-IZZDOVSWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060606
ClC1=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=C(O)C1=O	PC-id_9187284	330.769	GYLCQQPEHYOPRR-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-060607
O=C(c1noc2c1CCCCC2)Nc1ccc2c(c1Cl)cn[nH]2	EMOLS-id_319789132	330.769	KILCZQNPZRHVSA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060608
O=C(N1CCCc2c(C1)cco2)Nc1ccc(c2c1[nH]nc2)Cl	MCULE-6852616419,EMOLS-id_319840204	330.769	IUPXSPGRDRFTID-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060609
N#Cc1ccc(cc1Cl)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319481586	330.772	ADTRTOVIWLLVPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060610
O=C(C1CCn2c(CC1)nnc2)Nc1ccc2c(c1Cl)cn[nH]2	MCULE-4189013503,EMOLS-id_319957578	330.772	MDOKYXAADQARNR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060611
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c2c1[nH]nc2)Cl	EMOLS-id_319967549,MCULE-8520921588	330.772	CVIRQQPRLBUOJK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060612
ClC(c1sc2c(CCCCC2)c1)c1c(F)cc(F)cc1F	PC-id_63430549	330.796	KKOPTPDIIHUABX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060613
Fc1cc(F)c(cc1C(c1cc2c(s1)CCCCC2)Cl)F	PC-id_103303717	330.796	GWLOAAWALYJBFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060614
ClCCCN1CCC(=O)c2c(C1=O)ccn2Cc1ccccc1	PC-id_10735224,SCHEMBL6774193	330.809	BCTIBENOBYUWGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060615
ClCCCN1CCC(=O)c2c(C1=O)n(cc2)Cc1ccccc1	SCHEMBL7000263,PC-id_20083191	330.809	LNDYXJXWMNUNTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060616
c12CN(CCCn1nc(C#N)c2)Cc1ccc(c(Cl)c1)OCC	ZINC22_823383218,EMOLS-id_232901498,MCULE-7378849358	330.812	HKVGGOITNBDFPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060617
Clc1ccc(cc1)C1CCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319844414	330.812	IXHWRTMJPTULLW-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-060618
c1(NC(=O)c2ccccc2Cl)sc2c(CCCCC2)c1C#N	CoCoCo_1995260,STOCK1S-35351,PC-id_802262,SPECS-id_AH-262/36993001,EMOLS-id_1245522,TIMTEC431535,MCULE-4880988478,ZINC22_309850	330.832	RPGPSGQCVKPALQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060619
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCCCC2)c1C#N	SPECS-id_AF-399/15392068,EMOLS-id_3063192,MCULE-1777694450,CoCoCo_3268382,ZINC22_351188,PC-id_829322	330.832	IDWBZHHPWWYHDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060620
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCCCC2)c1C#N	ZINC22_572676,CoCoCo_5021716,PC-id_962488,MCULE-5503523473,EMOLS-id_4991887	330.832	NTFPHFDEZSCPFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060621
Clc1ccc(cc1)Cn1c2C(=O)CCCCc2nc1C(C)(C)C	PC-id_58460238,SCHEMBL2511854	330.852	VXRXHOINUYPVRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060622
Clc1ccc2c(c1)CCC2NCCc1nnc2n1CCCCC2	EMOLS-id_318094208,MCULE-7748231557	330.855	VMHCWWJOZSHXTG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060623
Clc1ccc2c(c1)C(NCCc1nnc3n1CCCCC3)CC2	MCULE-9925525464,EMOLS-id_318203482	330.855	LJUSRYPEXPCPEF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060624
Clc1cccc2c1CCC2NCCc1nnc2n1CCCCC2	MCULE-9026599778,EMOLS-id_318173054	330.855	ASDFKSBCQLSMAM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060625
Clc1ccc(cc1)C1(CCC1)NCc1nnc2n1CCCCC2	EMOLS-id_318151157,MCULE-5641836486	330.855	DKTBKTWHCIBLKV-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-060626
Clc1ccccc1C1CCN(Cc2cc3CNCCCn3n2)C1	MCULE-9344703748,EMOLS-id_43117511,PC-id_56896766	330.855	LJADESGAWOBVFW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-060627
Clc1ccccc1[C@@H]1CCN(Cc2cc3n(n2)CCCNC3)C1	ZINC22_72156440	330.855	LJADESGAWOBVFW-CQSZACIVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-060628
Clc1ccccc1[C@H]1CCN(Cc2cc3n(n2)CCCNC3)C1	ZINC22_72156442	330.855	LJADESGAWOBVFW-AWEZNQCLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-060629
CC(C)(C)C1=C(SC2=C1CCCN(C2)C(=O)O)Br	PC-id_152020370	331.024	UKOWIFSXQIJUPE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-060630
CC(C)(C)OC(=O)N1CCCCC2=C1C=C(S2)Br	EMOLS-id_331277123,PC-id_152841101	331.024	SYTIAKBNUHUERG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-060631
CC(C)n1cnc2c1[I-]CC=C(N=C2)NC	PC-id_163657323	331.043	AXLDNKFKVLAWIU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-060632
FC(F)(F)c1nn2CCCNCc2c1I	EMOLS-id_260947257	331.077	BTFOBTCCADHLGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060633
CC(C1=CC2=NSN=C2C=C1)N3CCC4=C(CC3)SC(=N4)N	PC-id_164762718	331.093	DRWGXRFUGRNMCQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060634
C1CC2=NN=NN2CCC1NC(=O)C3=C4C(=CC=CN4N=C3)Cl	MCULE-7941859700,EMOLS-id_316916989,PC-id_154778670	331.095	ITHBHFRNMFIGKO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060635
CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3C4=CC=CC=CC4=NC3=O	PC-id_154225567	331.096	LBJISFHESBMKES-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-060636
CN1C2=C(CN(CCC2)C(=O)C3COC4=C3C=C(C=C4)Cl)C=N1	EMOLS-id_317263846,PC-id_154760487,MCULE-3633052553	331.109	LCWNKLIYHYIROK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060637
C1CC2=C(CN(C1)CC3=NOC(=N3)C4=C(C=C(C=C4)F)F)C=CO2	MCULE-3018498055,EMOLS-id_257909668,PC-id_154758214	331.113	YWCGNKOJSBCMBM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-060638
CCOC(=O)C1=CN(C2=C1C=CC=CC2=O)CC(C)C(=O)OCC	PC-id_154232171	331.142	VEGOKNSWNUWLGI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-060639
CN1C=C2C(=N1)CCN(C(=O)N2CC3=C(C=C(C=C3)OC)OC)N	PC-id_154021392	331.164	DVDAGQZRZBQLRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060640
CC1(C=C(C=C2C(=C1)C=C(N2)C(=O)N)CNC(=O)OC(C)(C)C)C	PC-id_148418720	331.19	LVDUECYKWBXYBX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-060641
CC[C@]1(CC(=O)C[C@H](CCCC2=C1SC=N2)C)/C(=C/C=CC)/C	PC-id_165068619	331.197	RNAWYEMAWXMJBU-SQRWRJNQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060642
C1CCC2=C(CC1)NN=C2C(=O)N3CCCC(C3)N4CCNC4=O	PC-id_154795671	331.201	YOJLYYYXKLEXDU-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-060643
CC(C)(C)OC(=O)N1CC(N)Cn2ncc(Br)c2C1	MCULE-4764480319,EMOLS-id_317680797	331.209	KQVDUHONAGAIOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060644
C1CCC2=NN=C(N2CC1)CN3CCC[C@@H](C3)N4C=C(N=N4)CO	PC-id_164643090,ZINC22_328801059	331.212	YZRMJRNZTJWYSJ-AWEZNQCLSA-N	00000000100010000101100000000010000000000000000000000000	31-01-060645
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)[B]	PC-id_145538467	331.221	JGIZSHQCVNFNTK-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060646
ClC1(Cl)C(C1)(C)C(=O)N(Cc1n2CCCCCc2nn1)C	PC-id_45781214	331.241	MSTUWWWNLPTWFI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060647
Brc1csc(n1)Sc1nnc2n1CCCCC2	PC-id_79398706,EMOLS-id_42241939	331.255	SNFRBXUQJSCXOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060648
Clc1sc(Cl)cc1C(=O)c1sc2CCCCCc2c1	PC-id_43463795	331.28	NUDKPHZXIJKSGG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-060649
O=C1CN(CN1CC(F)(F)F)C(=O)c1noc2c1CCCCC2	EMOLS-id_100559907	331.29	UWWFKCLKGFMPIS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-060650
FC(F)(F)c1ccc(CNC(=O)c2nnc3-c2ccccc3)cc1	PC-id_68959282,SCHEMBL4215529	331.292	GMFGGZIVJIIAOL-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-060651
C1Cn2cc(nc2OC(CN1C(=O)[O-])Cc1ccccc1)[N+](=O)[O-]	SCHEMBL14966252,PC-id_89580514	331.303	ZFXWPKSWZLOHJY-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-060652
FC(F)(F)C(=O)c1n2c(C(CCCC2)CCO)c(c1)C#CCF	PC-id_76023337	331.305	RNWWYJSHEGOQGQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-060653
FC(F)(F)C(=O)c1n2c([C@H](CCCC2)CCO)c(c1)C#CCF	PC-id_53360851	331.305	RNWWYJSHEGOQGQ-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-060654
Cc1nc2c(s1)N(CCCC2)C(=O)c1conc1C(F)(F)F	EMOLS-id_319602720	331.313	RMEAVVQNRDDMRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060655
Cc1nc2c(s1)N(CCCC2)C(=O)c1onc(c1)C(F)(F)F	EMOLS-id_319197783	331.313	LTCFPZUISCUVPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060656
O=C(N1CCCn2c(C1)cnn2)Cc1scc(n1)C(F)(F)F	EMOLS-id_319667230	331.317	WTMKNNOTKMBPOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060657
N#CC(c1nnc2n1CCCCC2)C(=O)Nc1ccc(c(c1)F)F	EMOLS-id_257920208,MCULE-4130505681	331.32	NDMVNFYCRNJSMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060658
c1(C(=O)Nc2c(OC)ccc(c2)N(=O)=O)c2CCCCCc2on1	EMOLS-id_21980643,MCULE-1373544063,TIMTEC578360,ZINC22_20258780,PC-id_17254356	331.323	YQXCLFVKCJPVHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060659
ClC(c1cc(c(s1)Cl)C)c1cc2c(s1)CCCCC2	PC-id_113733795	331.324	MCTNLMZJVFEXTB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-060660
C1Cn2cc(nc2OCCN1C(=O)NCc1ccccc1)[N+](=O)[O-]	PC-id_89580381,SCHEMBL14966075	331.327	ZMMQWXYHMIEYIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060661
Cc1ccc(cc1)NC(=O)N1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965726,PC-id_89580126	331.327	LWULADLUZGREKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060662
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cccc([N+](=O)[O-])c1	CoCoCo_4406401,ZINC22_13006002,PC-id_25664841,MCULE-1754993201,EMOLS-id_24149813	331.327	KDTSOJNCZQSDRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060663
Nc1nc(C(=O)NCc2nnc3n2CCCCC3)ccc1[N+](=O)[O-]	EMOLS-id_48332553,MCULE-4165831152,ZINC22_95468793,PC-id_75452198	331.33	YTOYTKQWUNQBLZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060664
O=CC1C=CCC=c2c(=C1)n(cc2)Cc1cccc(c1)C(F)(F)F	PC-id_143564477	331.332	REMJGKDVEHIOKN-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-060665
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)N2CCOCC2)n1	MCULE-5609493015,PC-id_1259308,TIMTEC297128,ZINC22_1070921,CoCoCo_6628670,EMOLS-id_2271139	331.333	LVFQSMBLMNROLA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060666
C[C@@H]1OCCN(C(=O)c2cnc3n2CCCCC3)[C@@H]1C(F)(F)F	MCULE-5487493346,ZINC22_622981509,EMOLS-id_316978435	331.333	ZYMAAMFQUSUOOT-GWCFXTLKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060667
OCC1(CCN(C1)C(=O)c1n[nH]c2c1CCCCC2)C(F)(F)F	EMOLS-id_316696873	331.333	PRRDWCJNYFMOKJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-060668
O=C(N1C=Cc2n(CC1)nc(c2)CCC(F)(F)F)OC(C)(C)C	PC-id_138671260,SCHEMBL21041636	331.333	LIZSDNWEENSGCE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-060669
NC(=O)[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@H]1C(F)(F)F	MCULE-1215964999,ZINC22_375510153,EMOLS-id_316042881	331.337	GXBYYXKQZKMFHV-NXEZZACHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-060670
O=C(C1CCCC(C1)C(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102164527	331.337	MGADEJQURGVCJO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060671
O=C(C1CCn2c(CC1)nnc2)N1CCN(CC1)CC(F)(F)F	EMOLS-id_320334674,MCULE-4292128089	331.337	FKSDRBXHMUSUCO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060672
O(C(=O)c1c2-c(c(c1C=Cc1ccccc1)C(=O)[O-])ccccc2)C	PC-id_86004780	331.341	KHAMTKCMYCXZEM-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-060673
Fc1ccc(CNC(=O)c2nn3CCCC(C(=O)c3c2O)C)cc1	PC-id_49769432	331.342	LFVYXQLLASAXCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060674
Fc1c(NC(=O)c2c3c([nH]c2N)CCCCC3=O)ccc(OC)c1	PC-id_12021416	331.342	PRFFXHWBCUFYNA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060675
Fc1c(NC(=O)c2c3c(n(N)c2)CCCCC3=O)ccc(OC)c1	PC-id_57349546	331.342	RSNKCMQLUUHIEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060676
C1Cc2nnnn2CCC1C(=O)NC1(COC1)c1ccccc1F	EMOLS-id_316934597,PC-id_136566540,MCULE-6515650421	331.345	FCSRYDCUKMZTNL-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-060677
FC1(CC1)C(=O)N1CCCn2nnc(COc3ccccn3)c2C1	ZINC22_585110524,EMOLS-id_313733339	331.345	CSCWNDFCJFUKKE-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-060678
O=C(NC1(c2ccccc2F)COC1)[C@@H]1CCc2nnnn2CC1	ZINC22_886643748	331.345	FCSRYDCUKMZTNL-LLVKDONJSA-N	00001000100000110101100000000010000000000000000000000000	31-01-060679
O=C(NC1(c2ccccc2F)COC1)[C@H]1CCc2nnnn2CC1	ZINC22_886643749	331.345	FCSRYDCUKMZTNL-NSHDSACASA-N	00001000100000110101100000000010000000000000000000000000	31-01-060680
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc2c(cc1)OCO2	PC-id_90625337	331.346	YWRWHGJGTGAYQV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060681
N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCCCC2	EMOLS-id_7895442,PC-id_2362771,CoCoCo_3268380,ZINC22_3245445,MCULE-8240355990	331.346	UPGKSJFPGVBXOD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-060682
O=PC(c1ccc2-c(cc1)c(c(c2C)NC(=O)C)C)(C(C)C)O	PC-id_54038662	331.346	BFRCJBAZXIHWAM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060683
s1c2C(N=O)CCCN(c2cc1)C(=O)c1ccc([N+](=O)[O-])cc1	PC-id_57063752	331.346	LMFZUHWWWRGFRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060684
N#Cc1ccc(cc1)SN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_145578209	331.35	VDWRJPAFSNVPLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060685
N#Cc1c(NC(=O)c2cc([N+](=O)[O-])n[nH]2)sc2c1CCCCC2	MCULE-1736473450,ZINC22_5396596,SPECS-id_AT-225/NB85495,SPECS-id_AN-153/I138357,Chemmine_63091,PC-id_135485361	331.35	UQPUQWXGZKBICU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060686
s1c2c(n(Cc3n(CC(F)(F)F)ccn3)c1=O)CCCCC2	PC-id_71930428	331.357	AXXDUUPGSMQZBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060687
COC(=O)COC1CCC(F)(F)c2c(CC1)n(nn2)C(C)(C)C	SCHEMBL21117261,PC-id_138736977	331.358	PUUANNALODHWQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060688
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1C[C@H]1c1ccc(cc1F)F	EMOLS-id_318961555	331.36	FWYGUWDFFYHEME-XVDHHWJWSA-N	00100000100000110101100000000010000000000000000000000000	31-01-060689
FC(c1ncc(s1)CNCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318759664,MCULE-9797597307	331.36	HHCLUDIRKKGIPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060690
FC(Cc1nnc(s1)NCc1cnc2n1CCCCC2)(F)F	EMOLS-id_318571921,MCULE-5017919080	331.36	HTDUOAFEJBEBNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060691
CC1(C)Cc2n[nH]cc2CN(Cc2nc3cc(F)c(F)cc3[nH]2)C1	ZINC22_2325778999	331.363	ZVRGUBPZMHLXJG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060692
CC1CN(Cc2c(C1)[nH]nc2)Cc1nc2c(n1C(F)F)cccc2	EMOLS-id_320204010,MCULE-3516840121	331.363	QBXCVWUPRCVZNX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060693
CCCc1c2-c(c(c1C)OC(=O)OCC)ccc(cc2)C(=O)NO	SCHEMBL8527075,PC-id_88317383	331.363	SDJZTYGLZKXDIC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060694
CCCCc1cc(c2-c1cc(ccc2)C(=O)NO)OC(=O)OCC	SCHEMBL8335264	331.363	LSQLDQCZDSOFFQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060695
CCCOc1cc(c2-c1ccc(cc2)CC(=O)NO)C(=O)OCC	PC-id_141580548	331.363	OJBKUNDREMSIIB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060696
CCOC(=O)c1cc2c(C)n(C)c(C)c2cc(C(=O)OCC)c1=O	EMOLS-id_15207414,TIMTEC265538,ZINC22_12249915,MCULE-5407826619,PC-id_12243039,CoCoCo_6598069	331.363	KLUOBXIQWWWMSA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-060697
CCOC(=O)Oc1cc(c2-c1cccc(c2)C(=O)NO)CC(C)C	SCHEMBL8331246	331.363	NFWOANFSHWCTBJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060698
COc1cc(OC)c(C(=O)N2CCCc3occc3C2)cc1OC	ZINC22_289806270,MCULE-2667003233,EMOLS-id_177231964	331.363	RWZPDBOYPAYNPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060699
O(c1c2-c(c(OC=O)c1C)ccc(cc2)C(=O)NOCC)CCC	PC-id_57161773	331.363	AUUFRBJOISFWNF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060700
O1CCOCCOCCOCc2nc([nH]n2)COCCOCC1	PC-id_21792761	331.365	MGGUPXIKXLUKSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060701
c12CN(CCCn1nc(CO)c2)Cc1cc2OCOc2cc1OC	EMOLS-id_55683391,MCULE-7733503004,PC-id_91788153	331.366	GURLBWZVFAWOOO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060702
c12CN(CCCn1nc(CO)c2)Cc1ccccc1OCC(=O)O	PC-id_91774575,ZINC22_217182021,MCULE-1570286232,EMOLS-id_55644046	331.366	YOJGUOFDYMHXCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060703
c1(ccc(c(OC)c1OC)OC)C(=O)N1CCCn2cncc2C1	EMOLS-id_43167590,PC-id_56912733,ZINC22_72167108,MCULE-2062097335	331.366	APZHROAPOPSCQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060704
c1(cc(oc1C)C)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	PC-id_56892854,MCULE-3408223766,EMOLS-id_43101289,ZINC22_72421924	331.366	CFZMREHTHDYWGB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060705
Cc1ncc(CCNC(=O)c2coc3c2C(=O)NCC(C)(C)C3)o1	EMOLS-id_324052830,ZINC22_1875396372,PC-id_145909669,MCULE-1855740468	331.366	DJZUQAXYECJALF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060706
COc1ccccc1OCc1nnc2n1CCC(CC2)C(=O)OC	EMOLS-id_316954945,MCULE-9945939253,PC-id_136557180	331.366	YLWRONRQWRBKJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060707
COc1ccc(cc1)OCc1nnc2n1CCC(CC2)C(=O)OC	MCULE-4117599768,EMOLS-id_316956481,PC-id_136557185	331.366	WUXLBEPYEWUUIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060708
COc1ccccc1OCC(=O)N1Cc2ccnn2CCC1CO	EMOLS-id_313816622	331.366	SRXBJFLKEMSKOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060709
COc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585098053	331.366	SRXBJFLKEMSKOK-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060710
COc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585098054	331.366	SRXBJFLKEMSKOK-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060711
COC(=O)c1ccc(OC)cc1OCc1nnc2n1CCCCC2	PC-id_121578489,ZINC22_278578046,MCULE-4141454820,EMOLS-id_76042276	331.366	FKTNSRAZENASSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060712
COC(=O)[C@@H]1CCc2nnc(COc3ccccc3OC)n2CC1	ZINC22_601045577	331.366	YLWRONRQWRBKJU-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060713
COC(=O)[C@H]1CCc2nnc(COc3ccccc3OC)n2CC1	ZINC22_601045579	331.366	YLWRONRQWRBKJU-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060714
COC(=O)[C@@H]1CCc2nnc(COc3ccc(OC)cc3)n2CC1	ZINC22_601045369	331.366	WUXLBEPYEWUUIP-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060715
COC(=O)[C@H]1CCc2nnc(COc3ccc(OC)cc3)n2CC1	ZINC22_601045370	331.366	WUXLBEPYEWUUIP-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060716
O=C(c1coc(CN2CC[C@H](O)C2)n1)N1CCCc2occc2C1	ZINC22_685944004,MCULE-5212831101,EMOLS-id_316136846	331.366	UWWAFVURALQZPV-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-060717
O(C(=O)C1n2c(NC=C(C1)C(=O)OCC)c(c(c2C)C)C#N)CC	PC-id_12857824	331.366	JKJOQGHVEWSTDF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-060718
CCOC(=O)c1c(Nc2cc3c([nH]2)cccc3)nc2-c1ccccc2	PC-id_102389733	331.368	KCMANTUYFYOCGH-UHFFFAOYSA-N	00000010100000100110000001100010000000000000000000000000	31-01-060719
c12CN(CCCn1nc(C#N)c2)C(=O)C1CCCCN1C(=O)OC	EMOLS-id_177392320,MCULE-9095140741	331.37	AHZZHKGXAUUQBS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060720
c12CN(CCCn1nc(CNC(=O)c1c(C)noc1C)c2)C(=O)C	ZINC22_82120527,EMOLS-id_44438867,MCULE-7731441910,PC-id_70748494	331.37	YRFKKXSCMINULW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060721
c12CN(CCCn1nc(CNC(=O)c1ccoc1)c2)C(=O)N(C)C	MCULE-8063898450,EMOLS-id_46091371,PC-id_72929044,ZINC22_91998159	331.37	MFVRLEOFDZYWCN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060722
C1C(c2c(NC=N1)n(cn2)CCSc1ccccc1C(=O)[O-])O	BindingDB_PC-id_91931333,PC-id_91931333	331.37	FWRANEOZSDJVGT-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-060723
C1CCc2c(CC1)onc2C(=O)N1CCCCC1c1n[nH]c(=O)[nH]1	PC-id_137196034	331.37	IQNIRMCYYDGOHZ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-060724
c1(C(=O)N2CCCn3c(cc(n3)C(C)O)C2)n[nH]c2CCOCc12	EMOLS-id_55611173,PC-id_91762983,MCULE-6244195192	331.37	VPXNNSCNSQDMCN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060725
c1(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)OC)c2CCCCCc2[nH]n1	ZINC22_276518064,EMOLS-id_323249589,MCULE-5315853824	331.37	KRVPIWYZJBFOBZ-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060726
c1(C(=O)N)cn2c(CCN(C(=O)CCc3c(C)noc3C)CC2)n1	MCULE-1680052719,ZINC22_1875245029,EMOLS-id_331132188	331.37	GYYKMBMHEGWDPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060727
c1(=O)n(C)c(C(=O)NCc2c3CCCCCc3[nH]n2)cc(=O)n1C	MCULE-3656852463,ZINC22_670445962,EMOLS-id_222762790	331.37	DWPHLONPCNLUIE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060728
Cc1c(ocn1)C(=O)NC1CCc2nn(c(=O)n2CC1)CC1CC1	PC-id_91922679	331.37	IHDIUFRNXWDWES-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060729
CC(c1nn2CCCN(Cc2c1)C(=O)CCc1n[nH]c(=O)cc1)O	MCULE-5905191076,EMOLS-id_55663729,PC-id_91781353	331.37	HVTPCINVVZWQEM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060730
CCOc1cccc(NCc2nnc3n2CCCCC3)c1[N+](=O)[O-]	ZINC22_97108514,EMOLS-id_49348399,PC-id_75521029,MCULE-7804346994	331.37	ITKNSTHPAYKIMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060731
CCOCC(=O)N1CCCn2nnc(COc3cccnc3)c2C1	PC-id_97519093,ZINC22_96259003,EMOLS-id_44369554	331.37	IEZTWZCZFWDIGM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060732
Cn1ncc2c1CC(C)(C)CN(C(=O)c1c(C(=O)O)cnn1C)C2	ZINC22_902096344,EMOLS-id_316320386,MCULE-9203715287	331.37	FXXKBOFDWKMUJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060733
CN(Cc1nnc2n1CCCCC2)C(=O)CNC(=O)c1ccoc1	ZINC22_48128969,MCULE-6114372780,PC-id_47028865,EMOLS-id_31917486	331.37	BLXCWCUMLBODEL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060734
COc1ccc(cc1)CNC(=O)NC1CCc2n[nH]c(=O)n2CC1	PC-id_91922664	331.37	MJXNMZSEEKTELP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060735
COc1ccc(cc1NC(=O)N1CCCn2c(C1)cc(n2)N)OC	EMOLS-id_319044510	331.37	SABZLEGEHDZFKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060736
COc1cc(ccc1OC)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319038680	331.37	DTQFBYPZKVBPLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060737
COc1cc(cc(c1)OC)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319657202	331.37	ZVZCABFNRQKRMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060738
COc1cccc(CNC(=O)NC2CCc3n[nH]c(=O)n3CC2)c1	EMOLS-id_50586029,PC-id_91922663	331.37	ZAFCUMIYZFVPEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060739
COc1ccc(c(n1)OC)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316685565	331.37	WWRMFFBPKOLUEI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060740
COC1(CN(C1)C(=O)c1noc2c1CCCCC2)c1cnnn1C	EMOLS-id_319227556	331.37	NVUKHHXQNAULGK-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-060741
COc1cncc(c1)CNC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_320218600,MCULE-5544442383	331.37	ZYYQJPDZTAPGGI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060742
COCc1nnc2CC(C)N(CCn12)C(=O)c1cccnc1OC	EMOLS-id_313824296	331.37	ZRTIJEVTLTXCRD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060743
COCc1nnc2n1CCN(C(=O)c1cccnc1OC)[C@H](C)C2	ZINC22_585098767	331.37	ZRTIJEVTLTXCRD-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060744
COCc1nnc2n1CCN(C(=O)c1cccnc1OC)[C@@H](C)C2	ZINC22_585098768	331.37	ZRTIJEVTLTXCRD-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-060745
COCCn1nc2CCN(CCn2c1=O)C(=O)c1ncccc1C	MCULE-6097741559,PC-id_91922541,EMOLS-id_50590137	331.37	BAHZMFGXBWKPBJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060746
COCCNC(=O)c1ccc2CCN(CCn12)C(=O)c1cc[nH]n1	ZINC22_1565549018,EMOLS-id_313776833	331.37	LMXQUNXJDUCGMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060747
COCCNC(=O)c1cnn2c1CN(C(=O)c1cc[nH]c1)CCC2	ZINC22_1565552188,EMOLS-id_313741045	331.37	PTNXVSOUSXISFY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-060748
COCCOc1cccc(c1)C(=O)NC1CCn2c(CC1)nnn2	MCULE-4115524491,EMOLS-id_177271549	331.37	QSUIIOIFGHUFQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060749
COCCOc1cccc(C(=O)N[C@@H]2CCc3nnnn3CC2)c1	ZINC22_520792202	331.37	QSUIIOIFGHUFQA-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060750
COCCOc1cccc(C(=O)N[C@H]2CCc3nnnn3CC2)c1	ZINC22_520792209	331.37	QSUIIOIFGHUFQA-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060751
COCCOc1ccc(cn1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319119023	331.37	SVIRZGDISQSESB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060752
CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2noc3c2CCCCC3)C1	EMOLS-id_110558145,ZINC22_285700152,MCULE-8123101223	331.37	ISRSEIOHPOYORM-PWSUYJOCSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060753
CO[C@@H]1CN(C(=O)c2noc3c2CCCCC3)C[C@H]1c1cnn[nH]1	ZINC22_622166622,MCULE-5855184511,EMOLS-id_316178508	331.37	PPEKQIMZPAPRAW-SMDDNHRTSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060754
COC(=O)N1CCCC[C@H]1C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_584888681	331.37	AHZZHKGXAUUQBS-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060755
COC(=O)N1CCCC[C@@H]1C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_584888682	331.37	AHZZHKGXAUUQBS-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060756
[nH]1c(=O)ccn(CCC(=O)NCc2c3CCCCCc3[nH]n2)c1=O	ZINC22_216146034,MCULE-4220747111,PC-id_77093394,EMOLS-id_49892183	331.37	LXRITLPRPUPVKU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060757
O=C(c1cocn1)N1Cc2ccnn2CC[C@@H]1CN1CCOCC1	ZINC22_585097608	331.37	NNVPOVMJHKKPLY-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060758
O=C(c1cocn1)N1Cc2ccnn2CC[C@H]1CN1CCOCC1	ZINC22_585097609	331.37	NNVPOVMJHKKPLY-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060759
s1c(C(=O)c2n3c(C(CCCC3)C(=O)OC(C)C)cc2)ccc1	PC-id_53964581	331.429	JNHYIOOOVLJDIC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-061127
O=C(c1n[nH]c2c1COCC2)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99971936	331.37	VPXNNSCNSQDMCN-SNVBAGLBSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060760
O=C(c1n[nH]c2c1COCC2)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99971937	331.37	VPXNNSCNSQDMCN-JTQLQIEISA-N	00000000100010000101000000010010000000000000000000000000	31-01-060761
O=C(c1noc2c1CCCCC2)NCc1nnn(c1)C1CCOC1	EMOLS-id_319159278	331.37	ONEHZJFIVNPULQ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-060762
O=C(N1Cc2ccnn2CCC1CN1CCOCC1)c1cocn1	EMOLS-id_313816873	331.37	NNVPOVMJHKKPLY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060763
O=C(N1CCCn2c(C1)cc(n2)[C@H](O)C)CCc1ccc(=O)[nH]n1	PC-id_99977979	331.37	HVTPCINVVZWQEM-LLVKDONJSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060764
O=C(N1CCCn2c(C1)cc(n2)[C@@H](O)C)CCc1ccc(=O)[nH]n1	PC-id_99977981	331.37	HVTPCINVVZWQEM-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-060765
O=C(NCc1n2CCCCCc2nn1)C(NC(=O)c1occc1)C	PC-id_51266264	331.37	FBKWFDSXILFHOJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060766
ONC(=O)c1cn2c(c1)CN(CCC2)C(=O)c1cc(nn1C)CC	SCHEMBL16418246,PC-id_117835842	331.37	ABHLWSPIEPVIID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060767
N#Cc1ccccc1/C=C/C(=O)[C@@H](C#N)c1nnc2n1CCCCC2	PC-id_94810617,ZINC22_58267335	331.371	MWFDWYDISKVDRT-ZNFPLGDCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060768
N#Cc1ccccc1/C=C/C(=O)[C@H](C#N)c1nnc2n1CCCCC2	PC-id_94810618,ZINC22_58267339	331.371	MWFDWYDISKVDRT-SCOAYWHSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060769
N#C/C/1=C/O/C=CC=C/C=NC=C/N/C=Cc2n(/C=CC=C1)cnc2	SCHEMBL7714978	331.371	YRISTELDVJHILM-LBKLXNSGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-060770
N#CC(c1nnc2n1CCCCC2)C(=O)C=Cc1ccccc1C#N	EMOLS-id_32132223,MCULE-8441524241,PC-id_72046306	331.371	MWFDWYDISKVDRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060771
N#C[C@@H](c1nnc2n1CCCCC2)C(=O)/C=Cc1ccccc1C#N	PC-id_97543253	331.371	MWFDWYDISKVDRT-ZBTGYSDGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060772
N#C[C@H](c1nnc2n1CCCCC2)C(=O)/C=Cc1ccccc1C#N	PC-id_97543254	331.371	MWFDWYDISKVDRT-YDZSZYSISA-N	00000000100000110101000000000010000000000000000000000000	31-01-060773
O1/C=C(/C=CC=Cn2c(cnc2)/C=C/N/C=C/N=C/C=CC=C1)C#N	PC-id_70170908	331.371	YRISTELDVJHILM-UALJGDCWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-060774
O1C=C(C=CC=Cn2c(CN=CC=NC=CC=CC=C1)cnc2)C#N	PC-id_57239397	331.371	JUJKKJQUCBFJRB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-060775
O=C(C(c1n2CCCCCc2nn1)C#N)/C=C/c1c(cccc1)C#N	PC-id_51099360	331.371	MWFDWYDISKVDRT-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060776
c1(C(C(C)C)NC(=O)c2ccc(=O)[nH]n2)nnc2CCNCCn12	PC-id_56704753,MCULE-2170274983,EMOLS-id_36428900	331.373	BRKKMCNLEPDTHG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060777
c1(C(C(C)C)NC(=O)c2cnc(cn2)O)nnc2CCNCCn12	PC-id_56716911,EMOLS-id_36454167,MCULE-1390061359	331.373	XSLKSDVZGAXKDH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060778
C1CN(Cc2cc(nn2C1)C(C1CC1)O)C(=O)CCn1cnnn1	PC-id_91776124	331.373	DCILUZAVXSLUGD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060779
s1c2c(CCCCC2)cc1C(=O)N1[C@H](CCC1)c1ccsc1	PC-id_52609743	331.495	PELWRWBGRLJBBO-OAHLLOKOSA-N	00000010100100000100100000000010000000000000000000000000	31-01-061438
c1(C(=O)Nc2cnn(CCCC(=O)N)c2)cn2c(CCNCC2)n1	MCULE-4387807739,EMOLS-id_331109145,ZINC22_1875243985	331.373	HMEOVROICXFJPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060780
Cc1cnnn1Cc1nnn2c1CN(C(=O)C1CC(O)C1)CCC2	ZINC22_2055714574,EMOLS-id_313730010	331.373	IPXCYFGOBXXDOH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-060781
Cc1cnnn1Cc1nnn2c1CN(C(=O)[C@H]1CCOC1)CCC2	ZINC22_1565554633	331.373	CVNJCHDZLGRBGZ-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-060782
Cc1cnnn1Cc1nnn2c1CN(C(=O)[C@@H]1CCOC1)CCC2	ZINC22_1614936577	331.373	CVNJCHDZLGRBGZ-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-060783
Cc1cnnn1Cc1nnn2CCCN(Cc12)C(=O)C1CCOC1	EMOLS-id_313729241	331.373	CVNJCHDZLGRBGZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-060784
CC(C)[C@H](NC(=O)c1ccc(O)nn1)c1nnc2n1CCNCC2	PC-id_95198261,ZINC22_67654550	331.373	BRKKMCNLEPDTHG-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060785
CC(C)[C@@H](NC(=O)c1ccc(O)nn1)c1nnc2n1CCNCC2	ZINC22_67654551,PC-id_95198262	331.373	BRKKMCNLEPDTHG-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060786
CC(C)[C@H](NC(=O)c1c[nH]c(=O)cn1)c1nnc2n1CCNCC2	PC-id_95216433,ZINC22_67841129	331.373	XSLKSDVZGAXKDH-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060787
CC(C)[C@@H](NC(=O)c1c[nH]c(=O)cn1)c1nnc2n1CCNCC2	ZINC22_67841130,PC-id_95216434	331.373	XSLKSDVZGAXKDH-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060788
CCOCC(=O)N1CCCn2nnc(CNc3ncccn3)c2C1	PC-id_97405526,EMOLS-id_46182429,ZINC22_96084703	331.373	MQULNHSVJKWBIJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060789
CN(CC(=O)N1CCc2n(CC1)c(nn2)COc1cncnc1)C	PC-id_97405435	331.373	PKAQMAKXYHXKEH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060790
COc1ccc(nn1)NC(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_100240612	331.373	LVJFZNCUPYDZAQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060791
COc1nccc(n1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319642786	331.373	HDZAJVWEORYGOX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060792
COc1nccc(NC(=O)NCCc2nnc3n2CCCCC3)n1	MCULE-9341781906,ZINC22_276418307,PC-id_121548816,EMOLS-id_75980165	331.373	FWYJXVXVJAYPCM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060793
COc1ncnc(c1)NC(=O)N(Cc1nnc2n1CCCCC2)C	MCULE-1856107152,EMOLS-id_320097216	331.373	KOQVXSVKZPZKLQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060794
COc1nnccc1NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_320074803,MCULE-9549792925	331.373	FIQLNAMWKVSKMI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060795
O=C(C1CCn2c(CC1)nnn2)Nc1cnn(c1)C1CCCCO1	EMOLS-id_320212056,MCULE-1395845445	331.373	RWSIANRNVIDDPR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-060796
O=C(c1cc[nH]n1)N1CCCn2c(CN3CCOCC3)nnc2C1	ZINC22_96259705,PC-id_97519787,EMOLS-id_44370956	331.373	MNDUVILGZQGXJB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060797
O=C(N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O)CCn1cnnn1	PC-id_100052326	331.373	DCILUZAVXSLUGD-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060798
O=C(N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O)CCn1cnnn1	PC-id_100052328	331.373	DCILUZAVXSLUGD-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060799
O=C(NC(C(C)C)c1n2CCNCCc2nn1)C1N=CC(=O)N=C1	PC-id_76405972	331.373	RWWCISKQEJOWRQ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-060800
O=C(NC(C(C)C)c1n2CCNCCc2nn1)C1N=NC(=O)C=C1	PC-id_76403452	331.373	DZCNAOLKUBARIQ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-060801
n12CCCCCc1nnc2C(=Cc1ccc(n2ncnc2)cc1)C#N	PC-id_60393573	331.374	SEPXBGBSYYNGRI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-060802
O=C(c1cnc(s1)C(F)(F)F)c1cc2c(s1)CCCCC2	PC-id_106784953	331.376	NGFZWIITBANIMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060803
O=C(N1CCCC(C1)n1ccnn1)NC1CCn2c(CC1)nnn2	EMOLS-id_102217660	331.376	ABUFYVMUQAGBBP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-060804
FC(CC(C(=O)O)NC(=O)c1sc2c(c1)CCCCCC2)F	PC-id_121651977	331.378	XTBNHIPTUHJKBA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-060805
FC(COC1CN(C1)C(=O)Nc1nc2c(s1)CCCCC2)F	EMOLS-id_98921368	331.381	QSHRTVQLHIMTFK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-060806
CCCC(=C1c2c(ccc(c2)F)NC1=O)c1c2-c(ccccc2)cc1	PC-id_90770473	331.383	AORAZRKEOHXXCJ-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-060807
Fc1cc2/C(=C/c3c4-c(c(C(C)C)c3)ccccc4)/C(=O)Nc2cc1	PC-id_59301674,SCHEMBL3288482	331.383	NZVNDOSDKLZYTL-JAIQZWGSSA-N	00000010100000100110000000001010000000000000000000000000	31-01-060808
Fc1cc2C(=Cc3c4-c(c(C(C)C)c3)ccccc4)C(=O)Nc2cc1	SCHEMBL3288485,PC-id_68582523	331.383	NZVNDOSDKLZYTL-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-060809
c12CN(CCCc1n(nc2)C)C(=O)CCCOc1ccccc1F	MCULE-5631647961,PC-id_92566443,ZINC22_19289629,AOP-19423354,EMOLS-id_429582	331.385	DMFPTHLSCSZOIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060810
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(c(C)c1)F	ZINC22_72426747,PC-id_56895972,EMOLS-id_43114203,MCULE-9475406986	331.385	QTQRHGDKZWFSNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060811
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCc1ccc(c(c1)F)O	EMOLS-id_319437931	331.385	RHFDLMCYQQZTNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060812
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCOc1ccccc1F	MCULE-6019024336,EMOLS-id_320028922	331.385	YDPNNNRDSFJNFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060813
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(OCc1ccc(cc1)F)C	EMOLS-id_319819361	331.385	YXNSAWITNBREFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060814
CCCCC(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_575406894	331.385	XGUCRQVZAYHWSG-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060815
CCCCC(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_575406895	331.385	XGUCRQVZAYHWSG-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060816
CCCCC(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_55752123	331.385	XGUCRQVZAYHWSG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060817
CCOCC1CCn2nccc2CN1C(=O)c1ccc(C)c(F)c1	EMOLS-id_313822499	331.385	ZCZXJTMUVYRQEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060818
CC(OCc1ncn2c1CN(CCC2)C(=O)c1ccccc1F)C	PC-id_97520008	331.385	HSEZCTOHOXQUJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060819
CC(OCc1ncn2c1CN(CCC2)C(=O)c1cccc(c1)F)C	PC-id_97520009	331.385	QKPPQVFZYYZWRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060820
CCOC[C@@H]1CCn2nccc2CN1C(=O)c1ccc(C)c(F)c1	ZINC22_585098523	331.385	ZCZXJTMUVYRQEV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060821
CCOC[C@H]1CCn2nccc2CN1C(=O)c1ccc(C)c(F)c1	ZINC22_585098527	331.385	ZCZXJTMUVYRQEV-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060822
COc1ccc(cc1F)CCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319299507	331.385	KQKJKCANKUATCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060823
COc1cccc(c1F)CCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-8837716035,EMOLS-id_319896081	331.385	ROSLTVAHAATNLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060824
COc1ccc(cc1F)C(=O)N1CCCn2ccnc2C1C(C)C	EMOLS-id_97057069,MCULE-7892091125	331.385	FALQDTRCHVXMCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060825
COC(c1ccccc1F)(C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_318096634	331.385	OORUUOSAQGROEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060826
COC(c1ccccc1F)(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319327871	331.385	DTFIBBWYSSCMBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060827
COC(=O)c1ccc(cc1)CC1(F)CCCCCc2c1nnn2C	PC-id_118287909,SCHEMBL16984255	331.385	ZOAKOHSPSONYRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060828
O=C(C(C(c1ccccc1F)C)O)N1CCCc2c(C1)cnn2C	EMOLS-id_318736190	331.385	BBWRWMFXGHLQJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060829
COc1cc(ccc1C(=O)O)C(=O)N1CCCCc2c1ccs2	SCHEMBL7020907,PC-id_18378665	331.386	VXIRJFJJWRZNIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060830
O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)O)CCCCC2	EMOLS-id_207126309,CoCoCo_3776267,MCULE-2627684600,PC-id_675355,ZINC22_38141,CK2067813	331.386	OBEFKLGRNKGNHE-CMDGGOBGSA-N	00000000101000000100000000000010000000000000000000000000	31-01-060831
O=C(Nc1sc2c(c1C(=O)O)CCCCC2)/C=Cc1ccco1	CoCoCo_3776268	331.386	OBEFKLGRNKGNHE-HJWRWDBZSA-N	00000000101000000100000000000010000000000000000000000000	31-01-060832
OC(=O)c1c2c(CCCCC2)sc1NC(=O)C=Cc1occc1	PC-id_675354,MCULE-7905784138,EMOLS-id_26182246	331.386	OBEFKLGRNKGNHE-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-060833
OC(=O)c1cc2CN(CCCc2s1)C(=O)OCc1ccccc1	EMOLS-id_329953014	331.386	LDVJWRJZEFMPKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060834
OC(=O)COc1ccc(cc1)C(=O)N1CCCc2c(C1)ccs2	MCULE-7642818265,EMOLS-id_318001747	331.386	DSQWDMZWKVRJME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060835
OC(=O)COc1cccc(c1)C(=O)N1CCCc2c(C1)ccs2	MCULE-8481222723,EMOLS-id_316371513	331.386	KGHWIGADIMTSFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060836
s1c2CCCCCc2cc1C(=O)OCc1ccc([N+](=O)[O-])cc1	PC-id_16509449	331.386	AIKRDVMQTMGTRP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060837
CC1Cc2nnc(COc3ncccc3F)n2CCN1CC1CC1	EMOLS-id_313824804	331.388	LSRATFQRVTVLBS-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-060838
Cc1cc(cc(c1)F)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318892304	331.388	NACUHKJIXRYQRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060839
Cc1cccc(NC(=O)N(C)Cc2nnc3n2CCCCC3)c1F	MCULE-1005182643,EMOLS-id_317036815,ZINC22_952995758	331.388	XYVGQERXULPOSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060840
Cc1ccc(NC(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1F	EMOLS-id_35771553,PC-id_53546183,ZINC22_65562698,MCULE-1585911464	331.388	HYTRCDCQNBIZGY-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060841
Cc1ccc(NC(=O)N[C@H](C)c2nnc3n2CCCCC3)c(F)c1	MCULE-5467764846,EMOLS-id_35771555,PC-id_53546228,ZINC22_65562838	331.388	OHCVRYJDJQIKAI-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060842
CC1CN(CCC(=O)Nc2cc(N)ccc2F)Cc2c(C1)[nH]nc2	EMOLS-id_319388891	331.388	WRYSPCNOHHSLFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060843
CC(Cc1ccccc1F)NC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-1347537923,EMOLS-id_320335216	331.388	IDXNVMUXMSUBCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060844
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccc(cc1)F	MCULE-7698812893,PC-id_72137925,EMOLS-id_42886331	331.388	NCPGPLVJXPNDSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060845
CC[C@H](NC(=O)Nc1ccc(F)cc1)c1nnc2n1CCCCC2	PC-id_95763301,ZINC22_72275160	331.388	NCPGPLVJXPNDSF-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060846
CC[C@@H](NC(=O)Nc1ccc(F)cc1)c1nnc2n1CCCCC2	ZINC22_72275161,PC-id_95763302	331.388	NCPGPLVJXPNDSF-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060847
C[C@@H]1Cc2nnc(COc3ncccc3F)n2CCN1CC1CC1	ZINC22_585097560	331.388	LSRATFQRVTVLBS-GFCCVEGCSA-N	00100000100000101101000000000010000000000000000000000000	31-01-060848
C[C@H]1Cc2nnc(COc3ncccc3F)n2CCN1CC1CC1	ZINC22_585097561	331.388	LSRATFQRVTVLBS-LBPRGKRZSA-N	00100000100000101101000000000010000000000000000000000000	31-01-060849
C[C@@H](NC(=O)NCc1ccccc1F)c1nnc2n1CCCCC2	MCULE-3222196921,ZINC22_58355947,PC-id_51108287,EMOLS-id_33325081	331.388	HBDNCMLYBZTIPG-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060850
CNc1ccc(cc1F)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318285358,MCULE-1004818914	331.388	JXWJBSANUIXFMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060851
CN(C)c1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1F	PC-id_51096659,EMOLS-id_32120213,ZINC22_58268086,MCULE-5336491390	331.388	YTWWUGYYEKRAQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060852
CN(Cc1ccc(F)cc1)C(=O)NCc1nnc2n1CCCCC2	ZINC22_45571005,MCULE-1434661195,EMOLS-id_36630694,PC-id_52219809	331.388	DKOFXODCEBOHLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060853
CN(C)Cc1cnc2CCN(CCn12)C(=O)Cc1ccc(F)cn1	ZINC22_1565542846,EMOLS-id_313781964	331.388	XVJDXDUZFAVHPP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060854
CN(C(=O)c1cc(ccc1F)NCc1nnc2n1CCCCC2)C	EMOLS-id_318309935,MCULE-7723589353	331.388	JLYQDCWPZLFNFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060855
CN(C(=O)Nc1cccc(c1C)F)Cc1nnc2n1CCCCC2	EMOLS-id_320039258,MCULE-9214737401	331.388	YJEITDGCCXRMTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060856
CN(C(=O)Nc1ccc(c(c1)C)F)Cc1nnc2n1CCCCC2	MCULE-2527347517,EMOLS-id_319996989	331.388	LBTGJSCROIJLJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060857
CN(C(=O)Nc1c(C)cccc1F)Cc1nnc2n1CCCCC2	EMOLS-id_319848132,MCULE-3956615522	331.388	KDUVBGZXWJFRPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060858
Fc1cccc(c1)CCCNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319304009	331.388	VIRQHQGBESVDLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060859
Fc1ccc(cc1)CNC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318629459	331.388	ZENIQLDMIGUGSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060860
Fc1cccc(c1)CN(C(=O)NCc1nnc2n1CCCCC2)C	PC-id_86927508	331.388	YBGJQGGRKZTPGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060861
Fc1ccc(c(c1)C(=O)N(C)C)NCc1nnc2n1CCCCC2	MCULE-4783489954,EMOLS-id_318054557	331.388	ZIPKQXNJTXIYDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060862
Fc1ccc(c(c1)NC(=O)N(Cc1nnc2n1CCCCC2)C)C	EMOLS-id_319372070	331.388	HFEDCEHDXYVBRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060863
Fc1c(cc(CNC(=O)NCc2n3CCCCCc3nn2)cc1)C	MCULE-4621951980,PC-id_25642063,CoCoCo_4790760,EMOLS-id_257845227	331.388	HWOIBINLBBMTCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060864
Fc1ccc(N(Cc2n3CCCCCc3nn2)C(=O)NCC)cc1	PC-id_7566079	331.388	MXAGYJJVFQLERR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060865
Fc1cc(NC(=O)NC(c2n3CCCCCc3nn2)C)ccc1C	PC-id_76051322	331.388	HYTRCDCQNBIZGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060866
Fc1c(CNC(=O)NC(c2n3CCCCCc3nn2)C)cccc1	PC-id_75617270	331.388	HBDNCMLYBZTIPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060867
Fc1c(NC(=O)NC(c2n3CCCCCc3nn2)C)ccc(c1)C	PC-id_76051326	331.388	OHCVRYJDJQIKAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060868
O=C(c1c(N)cccc1F)NCCCc1nnc2n1CCCCC2	EMOLS-id_318849427	331.388	JEVBAUGWXIVVLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060869
O=C(N1CCc2c(CC1)cn(n2)OS(=O)(=O)C)OC(C)(C)C	PC-id_141114069	331.388	CONCCUHLKIAKSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060870
O=C(N1CCCn2c(C1)cc(n2)N)NC(c1ccc(c(c1)F)C)C	EMOLS-id_319120601	331.388	YLKNLUJLALOMCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060871
O=C(N1CCCn2c(C1)cc(n2)N)NCCCc1ccccc1F	EMOLS-id_319773148	331.388	FOMHBAUKEOVPGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060872
O=C(NCCc1nnc2n1CCCCC2)NCc1ccccc1F	ZINC22_45607717,EMOLS-id_35698552,PC-id_53507207,MCULE-7540865789	331.388	DIMBIZCEQBQUHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060873
O=C(NCCc1nnc2n1CCCCC2)NCc1ccc(F)cc1	MCULE-3283128926,PC-id_52220585,EMOLS-id_36630712,ZINC22_45607533	331.388	GXYUEZQSJMADBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060874
c12C(=O)NCCCc1nc(NC(=O)COc1cccc(C)c1)s2	PC-id_72719976,EMOLS-id_50139201,MCULE-6192256371,ZINC22_211128955	331.389	MJYGDDSVHGLQLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060875
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)COCc1ccccc1	PC-id_90625524	331.389	SHQNRQHPACLIJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060876
C1CCc2c(CC1)sc(c2)C(=O)NNC(=O)c1cccc[n+]1[O-]	PC-id_135900906,EMOLS-id_36637787	331.389	PHFDFZBFHFVVEK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060877
C1CCc2c(CC1)sc(c2)C(=O)NNC(=O)c1cc[n+](cc1)[O-]	PC-id_135957798,EMOLS-id_33331801	331.389	BOQMXZXUVDIMML-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060878
c1(NC(=O)c2cnccn2)sc2c(CCCCC2)c1C(=O)OC	PC-id_873844,EMOLS-id_2020144,ZINC22_441741,TIMTEC168966,MCULE-4953363004,CoCoCo_6709906	331.389	GIGQMJQDQGIONU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060879
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cc2c(o1)cccc2	EMOLS-id_319705968	331.389	MQVPGJHGCVUHFR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060880
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1coc2c1cccc2	EMOLS-id_319471902	331.389	NOGIQSADQISGHS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060881
Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_16745492,MCULE-5497541421,PC-id_17524042,ZINC22_12755409,CoCoCo_4546067	331.389	YTQKVRALPMRFCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060882
Cc1ccccc1OCC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625385	331.389	LJXXWYWHCUUKGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060883
Cc1ccc(cc1)OCC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625386	331.389	WOEBONLJCDSARD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060884
Cc1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1[N+](=O)[O-]	ZINC22_12781227,EMOLS-id_16758934,CoCoCo_4546112,PC-id_17528214,MCULE-5679314343	331.389	SWACAOFLHFSCPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060885
Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1[N+](=O)[O-]	PC-id_17515139,MCULE-6957880074,EMOLS-id_16720232,CoCoCo_4546146,ZINC22_12902569	331.389	CHHKRBSENRNAJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060886
Cc1c(C(=O)Nc2nc3c(s2)CCCCC3)cccc1[N+](=O)[O-]	ZINC22_12764610,MCULE-5354567282,CoCoCo_4546086,EMOLS-id_16785906,PC-id_17536560	331.389	KCEZHDYWHILXFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060887
Cc1csc(N(C(=O)c2coc3c2C(=O)NCCC3)C2CC2)n1	MCULE-2112174252,EMOLS-id_316996213,ZINC22_906869536,PC-id_136561117	331.389	DACUDYCBDKGDRJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060888
C/C(=CC(=O)N1Cc2nccn2C[C@H](C(=O)O)C1)/c1cccs1	ZINC22_2325803002	331.389	IVZFWRCLUGFSOW-VNKGSWCUSA-N	00000000100100000101000000000010000000000000000000000000	31-01-060889
C/C(=CC(=O)N1Cc2nccn2C[C@@H](C(=O)O)C1)/c1cccs1	ZINC22_2325803003	331.389	IVZFWRCLUGFSOW-YTRUQHMWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-060890
CC(C(=O)Nc1nc2c(s1)C(=O)NCCC2)Oc1ccccc1	PC-id_90625378	331.389	YBDFXLTWSHXOMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060891
CCOc1ccccc1C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625329	331.389	JWUQPSSAKPRQJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060892
CCOc1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625330	331.389	ZGTKDXUJYBKWGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060893
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cccc2c1occ2	EMOLS-id_101951004	331.389	XXRFTCULWXIIHL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060894
COc1ccc(cc1)CC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625390	331.389	URJFXZBOGRWERJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060895
COc1cccc(c1)CC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625455	331.389	AOMRGMJYYUNERX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060896
COc1ccccc1CC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625488	331.389	QWDQDPNDHVJZED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060897
COc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)on1	MCULE-1000161962,EMOLS-id_316865988,PC-id_136530215,ZINC22_183726050	331.389	AOBCFFBJGLFZKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060898
O=C(c1cc2c(s1)CCCCC2)NNc1ccccc1[N+](=O)[O-]	EMOLS-id_44517569,MCULE-1865357632,PC-id_71901776	331.389	AHSNAEUNOYXBFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-060899
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1cccnc1O	CoCoCo_3916466,MCULE-7811029929,PC-id_17514329,CoCoCo_3916465,EMOLS-id_16717533	331.389	GTZTZJUDZDDFHH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060900
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccc2c(c1)OCO2	CoCoCo_3081687,CoCoCo_3081688	331.389	HWBOENMRFHIBMO-FMIVXFBMSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060901
O/C(=CSc1nnc2n1CCCCC2)/c1ccc2c(c1)OCO2	CoCoCo_3081689,CoCoCo_3081686	331.389	HWBOENMRFHIBMO-XFXZXTDPSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060902
O=C(CSc1nnc2n1CCCCC2)c1ccc2c(c1)OCO2	EMOLS-id_3631596,PC-id_7876916,MCULE-3127919957,ZINC22_6097476,CoCoCo_3081685	331.389	MDQCDIMYRDSSDW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-060903
O=C(N[C@H]1CSc2n(N(C1=O)C)ccc2)OCc1ccccc1	SCHEMBL19037399	331.389	BAGQYCQMYQYZPO-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060904
[O-][n+]1cccc(c1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_44513992,PC-id_27164726	331.389	ISRDZPNAJQWKPD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-060905
[O-][N+](=O)c1ccccc1CC(=O)Nc1nc2CCCCCc2s1	MCULE-8115352700,PC-id_25541109,EMOLS-id_334603120	331.389	HJXWUVRULWWHOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060906
[O-][N+](=O)c1ccc(CC(=O)Nc2nc3CCCCCc3s2)cc1	MCULE-1945922229,EMOLS-id_323429680	331.389	GBMLKMRYFNOZIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060907
s1c2CCCCCc2cc1C(=O)/N=N/C(=C1C=CN(O)C=C1)O	PC-id_27164729	331.389	KIYBUPFXAWEOPW-ISLYRVAYSA-N	00000000100011001100000000000010000000000000000000000000	31-01-060908
s1c2CCCCCc2cc1C(=O)/N=N/C(=C/1N(O)C=CC=C1)/O	PC-id_46492171	331.389	YHBCKVPHAARTJE-DQDQKTFQSA-N	00000000100011001100000000000010000000000000000000000000	31-01-060909
s1c2CCCCCc2cc1C(=O)/N=N/C(=C
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s1c2CCCCCc2cc1C(=O)/N=N/C(=C1N(O)C=CC=C1)O	PC-id_75195049	331.389	YHBCKVPHAARTJE-BNLGSUAWSA-N	00000000100011001100000000000010000000000000000000000000	31-01-060911
s1c2CCCCCc2cc1C(=O)NNC(=O)C1C=CC=NC1=O	PC-id_73395455	331.389	RZQRRIMKMRIYPE-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-060912
s1c2CCCCCCc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_56022100	331.389	SQIIQPUTUURELF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060913
s1c2CCCCCCc2nc1NC(=O)c1c([N+](=O)[O-])cccc1	PC-id_60571613	331.389	TWGDTIKODMXYFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060914
s1c([n+]([O-])c(c2ccccc2)c1)/N=N/c1c2-c(cc1)ccccc2	PC-id_11163353	331.391	RHQPANBVQGQZCV-QZQOTICOSA-N	00000010100000110111100000000010000000000000000000000000	31-01-060915
c12sccc1nc([nH]c2=O)CN1CCCn2nc(CO)cc2C1	PC-id_136662336,EMOLS-id_55636582,MCULE-6763769865	331.393	TVJGSXUBTQUVSF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060916
c12sccn1cc(CC(=O)N1CCCn3nc(CO)cc3C1)n2	MCULE-1366717362,EMOLS-id_55639524,PC-id_91772983	331.393	ACFNLTLTPVMREB-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-060917
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1c[nH]c2c1cccn2	EMOLS-id_319568869	331.393	PJPXVTZKCYSNRK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060918
C#CCCC1(CCC(=O)Nc2nc3c(s2)C(=O)NCCC3)N=N1	ZINC22_2325892983	331.393	ZKZVTQPECGKWFW-UHFFFAOYSA-N	00110000100000000101000000000010000000000000000000000000	31-01-060919
Cn1ncc2c1CCCN(S(=O)(=O)c1c[nH]c3ncccc13)C2	ZINC22_333151740	331.393	FGAKDAVEMINXMR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060920
CNC(=O)c1nc2c(s1)CCN(CC2)C(=O)c1cnc(cn1)C	PC-id_97410608	331.393	HFQYQNUGTKPMHA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060921
CNC(=O)N1CCc2nc(C(=O)Nc3cccnc3)sc2CC1	ZINC22_96264739,EMOLS-id_44379310,PC-id_97524672	331.393	PEQDQFLVIKYLRQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060922
CNC(=O)N1CCc2nc(C(=O)Nc3ccncc3)sc2CC1	EMOLS-id_44379302,ZINC22_96264735,PC-id_97524668	331.393	WASROJRSBXFRSQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-060923
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1nccnc1N	CoCoCo_4518816,PC-id_41512674,MCULE-5547227789,EMOLS-id_25652102	331.393	LHMOAPQZEAICOR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060924
O=C(N1CCCCc2c1sc(n2)C)[C@H]1NC(=O)n2c(C1)cnc2	EMOLS-id_319655550	331.393	BVZBVJKYUJBLRH-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-060925
O=C(NC1CC1)c1ccc2CCN(CCn12)C(=O)c1csnn1	ZINC22_1565548235,EMOLS-id_313771215	331.393	VQVVWWVIPXSINI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060926
O=S(=O)(c1ccc2c(c1)cn[nH]2)Cc1nnc2n1CCCCC2	EMOLS-id_177328195,MCULE-4855807356	331.393	VZMXMWUJSWPQMC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-060927
s1c2CCCCCCc2cc1C(=O)NNC1=NC(=O)C(=C)N=N1	PC-id_74775420	331.393	VYVHOTSLIKZRIL-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-060928
c12C(CCCCn1nnn2)C(=O)NCCc1cn2c(scc2)n1	EMOLS-id_68880817,PC-id_118765866,MCULE-2233365538	331.396	HHSBSJFXAOWGSY-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-060929
c12scc(C)n1cc(CNC(=O)C1CCCCn3nnnc13)n2	EMOLS-id_68911569,MCULE-1306512822,PC-id_118780622	331.396	QXKZVZZZFSGNOS-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-060930
Cc1csc2nc(CNC(=O)[C@@H]3CCCCn4nnnc34)cn12	ZINC22_299788549	331.396	QXKZVZZZFSGNOS-LLVKDONJSA-N	00000000100000000101000100000010000000000000000000000000	31-01-060931
Cc1csc2nc(CNC(=O)[C@H]3CCCCn4nnnc34)cn12	ZINC22_299788551	331.396	QXKZVZZZFSGNOS-NSHDSACASA-N	00000000100000000101000100000010000000000000000000000000	31-01-060932
Cn1cnnc1SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135846308	331.396	LOBOSBWUGIFOCE-KHPPLWFESA-N	00000000100000000101000000000010000000000000000000000000	31-01-060933
O=C(c1sc2c(c1)c(nn2C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102166432	331.396	UNXANXZIWYTUKA-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-060934
O=C(NCCc1cn2ccsc2n1)[C@@H]1CCCCn2nnnc12	ZINC22_299768005	331.396	HHSBSJFXAOWGSY-LLVKDONJSA-N	00000000100000000101000100000010000000000000000000000000	31-01-060935
O=C(NCCc1cn2ccsc2n1)[C@H]1CCCCn2nnnc12	ZINC22_299768011	331.396	HHSBSJFXAOWGSY-NSHDSACASA-N	00000000100000000101000100000010000000000000000000000000	31-01-060936
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1n(C)cnn1	PC-id_84888568	331.396	HXEDRHZOWFRXCT-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-060937
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1n(C)cnn1	PC-id_8977660	331.396	HXEDRHZOWFRXCT-RAXLEYEMSA-N	00000011100000000111000000000010000000000000000000000000	31-01-060938
CCN(CC)CCCOc1ccccc2-c1cc(c2C(=O)OC)O	PC-id_91539798	331.406	JXFVEYRJXVZSCM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060939
COC(=O)c1c2-c(c(c1OC)C)c(OCCCN(C)C)cccc2	PC-id_25264205,SCHEMBL3283186	331.406	YQZFMTZAAMXDPJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-060940
CC(c1cccc2-c(c1)c(C#Cc1ccc(cc1)N(C)C)c(=O)o2)C	PC-id_101789608	331.408	MQLCEGYEWZSYMZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-060941
[O-][N+](=O)c1ccc(/C=C/c2c3-c(cc(C(C)C)cc2)c(cc3)C)cc1	PC-id_10936462	331.408	ZYNADQFCMYFFEN-VMPITWQZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-060942
[O-][N+](=O)c1ccc(C=Cc2c3-c(cc(C(C)C)cc2)c(cc3)C)cc1	PC-id_85322242	331.408	ZYNADQFCMYFFEN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-060943
c12CN(CCOc3cccc(OCC)c3)CCCn1nc(CO)c2	MCULE-3099170722,EMOLS-id_55650997,PC-id_91776970	331.409	CSWZZDUOAJDTEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060944
C1CC(C1)NC1CCN(CC1)C(=O)c1coc2c1C(=O)NCCC2	PC-id_136567551,EMOLS-id_317764306,MCULE-3047416350	331.409	CTTZBQDWJJWNPE-UHFFFAOYSA-N	00001000100010000100000000000010000000000000000000000000	31-01-060945
c1(C(=O)N(CCN(C)C)Cc2ccco2)c2CCCCCc2on1	EMOLS-id_16234875,PC-id_20923882,CoCoCo_2401447,MCULE-4726685542	331.409	GYFRLIDPBFFMSG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060946
Cc1cc(C(=O)N2CCCn3cnc(COC(C)C)c3C2)c(C)o1	ZINC22_96085040,PC-id_97405858,EMOLS-id_46183101	331.409	ZJOTZJVAVIRBMQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060947
Cc1occc1C(=O)N1Cc2ccnn2CC[C@H]1COCC(C)C	ZINC22_585097824	331.409	RFTTYZKUHLIHKG-INIZCTEOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060948
Cc1occc1C(=O)N1Cc2ccnn2CC[C@@H]1COCC(C)C	ZINC22_585097825	331.409	RFTTYZKUHLIHKG-MRXNPFEDSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060949
CCC(c1noc(c1)CNC(=O)c1noc2c1CCCCC2)CC	EMOLS-id_100122600	331.409	WMUGMCTYNCFQKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060950
CC(C)COCC1CCn2nccc2CN1C(=O)c1ccoc1C	EMOLS-id_313820963	331.409	RFTTYZKUHLIHKG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-060951
CN1CC2CC1(CNC(=O)c1coc3c1C(=O)NCC(C3)(C)C)C2	EMOLS-id_319545129	331.409	JIMVRLFHBPKOEX-UHFFFAOYSA-N	00001010100000000100001000000010000000000000000000000000	31-01-060952
COc1ccc(cc1C(CN1CC(C)Cc2c(C1)cn[nH]2)O)OC	EMOLS-id_320003348,MCULE-6843290429	331.409	NCPRUJWNHWTXKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060953
COc1cccc(CN2CCCn3nc(cc3C2)C(C)O)c1OC	MCULE-7138303591,PC-id_90650726,EMOLS-id_50538273	331.409	ZHAQNHHIWSZMNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060954
COc1cccc(CN2CCCn3nc([C@@H](C)O)cc3C2)c1OC	PC-id_100061651,ZINC22_220601904	331.409	ZHAQNHHIWSZMNG-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060955
COc1cccc(CN2CCCn3nc([C@H](C)O)cc3C2)c1OC	PC-id_100061653,ZINC22_220601973	331.409	ZHAQNHHIWSZMNG-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060956
COc1ccc(CN2CCCn3cnc(COCCO)c3C2)cc1	PC-id_97381665,ZINC22_96059012,EMOLS-id_46148315	331.409	JTMFQZPXPPAHEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060957
n1n2CCCN(CCOCc3ccccc3)Cc2cc1C(CO)O	MCULE-5923476729,PC-id_91777992,EMOLS-id_55653998	331.409	JPHWQUQWEXWXMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060958
O=C1CCCN1C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111416786	331.409	SFCMFBNWAVHQHB-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-060959
O=C(C1CC1)N1CCC(CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100948224	331.409	WOFATUOVBGQWRP-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-060960
O=C(C1CC1)N1CCCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111435076	331.409	YBXSBZGEZOYTNU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060961
O=C(C1CC1)NC1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111825538	331.409	KOXPAJHEUAJZCY-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-060962
O=C(c1coc2c1C(=O)NCC(C2)(C)C)NC12CCCN(C1)CC2	MCULE-5144426682,EMOLS-id_320216437	331.409	YKZRKYMSVLOARU-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-060963
OC[C@H](c1nn2c(c1)CN(CCC2)CCOCc1ccccc1)O	PC-id_99974780	331.409	JPHWQUQWEXWXMN-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060964
OC[C@@H](c1nn2c(c1)CN(CCC2)CCOCc1ccccc1)O	PC-id_99974781	331.409	JPHWQUQWEXWXMN-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-060965
O=C(OC(C)(C)C)NCC1=CC=c2c(=CC1(C)C)cc([nH]2)C(=O)N	PC-id_143191825	331.409	AQKRWFXNOWUKCF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-060966
c12CN(CCCn1nc(CCC(=O)O)c2)CCCn1ccnc1C	EMOLS-id_43170970,MCULE-1504982175,ZINC22_72477708,PC-id_56913899	331.413	LMJNJUJVYSFXSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060968
c12CN(CCCn1nc(C#N)c2)C(=O)CC1OCCN(C(C)C)C1	MCULE-9204617831,EMOLS-id_222788130	331.413	AWIZCWHEJWLYQA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060969
c12CN(CCCn1nc(C#N)c2)C(=O)NC[C@@H]1CC[C@H](CC1)CO	MCULE-4593078339,EMOLS-id_177381183,ZINC22_584887271	331.413	POSYUPBRNNHUOB-HDJSIYSDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-060970
c1(c(C)ocn1)C(=O)NCc1cc2n(CCCN(CC(C)C)C2)n1	EMOLS-id_44451465,MCULE-6695059262,ZINC22_82161796,PC-id_70784830	331.413	RPCBWTLZKMHDBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060971
c1(cn2c(CCNCC2)n1)C(=O)N(C)[C@@H]1C[C@H]2[C@H](CC(=O)NC2)C1	EMOLS-id_337801602,ZINC22_2356168005,MCULE-5170474910	331.413	LSQBHLBKYGENNA-XQQFMLRXSA-N	00000010100010000101000000000110000000000000000000000000	31-01-060972
c1(C(=O)NCc2cc(on2)CC(C)C)cc2n(CCCN(C)C2)n1	MCULE-7077340168,PC-id_50948197,ZINC22_65369718,EMOLS-id_32368004	331.413	BOTQEXJTUHYTOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060973
CC1CC(C1)C(=O)N1CCc2nnc(CN3CCCC3=O)n2CC1	ZINC22_585110640,EMOLS-id_313727195	331.413	JBBMAANQATWRRC-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-060974
CC1CC(C1)C(=O)N1CC(Cn2ncnc2C1)C(=O)NC1CCC1	EMOLS-id_313721561	331.413	ZNPJEKIYRILSMR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-060975
Cc1cc(C(=O)N2Cc3nccn3C[C@H](CN(C)C(C)C)C2)no1	PC-id_97462765,ZINC22_96188324	331.413	MIDMFALPSPFVSV-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060976
Cc1cc(C(=O)N2Cc3nccn3C[C@@H](CN(C)C(C)C)C2)no1	PC-id_97462766,ZINC22_96188325	331.413	MIDMFALPSPFVSV-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060977
CC1CC(C(=O)N2Cc3ncnn3C[C@H](C(=O)NC3CCC3)C2)C1	ZINC22_1565549687	331.413	ZNPJEKIYRILSMR-WXRRBKDZSA-N	00001000100000000101000000000010000000000000000000000000	31-01-060978
CC1CC(C(=O)N2Cc3ncnn3C[C@@H](C(=O)NC3CCC3)C2)C1	ZINC22_1614935950	331.413	ZNPJEKIYRILSMR-BPCQOVAHSA-N	00001000100000000101000000000010000000000000000000000000	31-01-060979
Cc1cc(C(=O)N2CCc3ncc(CN(C)C(C)C)n3CC2)no1	PC-id_98625010,EMOLS-id_44328621,ZINC22_104932467	331.413	XGTNNVOPANRHRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060980
CC1CCN2C(C1)C(=O)N(C2=O)CCc1nnc2n1CCCCC2	EMOLS-id_100740267	331.413	JHTPCCKJFPTLEK-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-060981
Cc1cc(=O)n(CCN(C)Cc2n[nH]c3c2CCCCC3)c(O)n1	EMOLS-id_55647188,MCULE-5329933445,ZINC22_253536387,PC-id_91834838	331.413	DQDGMULMTHFLOM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-060982
Cc1ncc(C(=O)N2Cc3ccnn3CC[C@H]2COCC(C)C)[nH]1	ZINC22_585098350	331.413	WOYUIFNDHKMKBH-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060983
Cc1ncc(C(=O)N2Cc3ccnn3CC[C@@H]2COCC(C)C)[nH]1	ZINC22_585098353	331.413	WOYUIFNDHKMKBH-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060984
Cc1noc(C)c1CCC(=O)N[C@H](C)c1nnc2n1CCCCC2	ZINC22_29898477	331.413	RBFYXTDHBYCCOF-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060985
Cc1noc(C)c1CCC(=O)N[C@@H](C)c1nnc2n1CCCCC2	ZINC22_29898481	331.413	RBFYXTDHBYCCOF-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060986
Cc1noc(C)c1CN1CCCn2nnc(COCC3CC3)c2C1	EMOLS-id_44369518,ZINC22_96258984,PC-id_97519074	331.413	WPZJWHMUPRFOSP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-060987
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CCc1nccn1CCC(=O)N1CCCn2nc(cc2C1)C(C)O	EMOLS-id_55680553,MCULE-4100842163,PC-id_91787190	331.413	OEHYAWSJDICDAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-060989
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CC(C)c1nnc2CCN(CCn12)C(=O)C1CN(C2CC2)C(=O)C1	PC-id_70773220,MCULE-7762598201,EMOLS-id_44740234	331.413	NALNSRCXOIYAFE-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-060995
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CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C3CC3)C1)CC2	ZINC22_91932650,PC-id_97147677	331.413	NALNSRCXOIYAFE-GFCCVEGCSA-N	00100010100000000101100000000010000000000000000000000000	31-01-060998
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CCC(c1noc(c1)CNC(=O)C1CCn2c(CC1)nnc2)CC	EMOLS-id_320080627,MCULE-8799640608	331.413	UBCGDBSEHIHKPX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061000
CC(C)(C)c1cnc(C(=O)NCCc2nnc3n2CCCCC3)o1	PC-id_53543673,ZINC22_65532724,MCULE-8198431968,EMOLS-id_35766463	331.413	JXHJOOJEDCLHBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061001
CC(C)COCC1CCn2nccc2CN1C(=O)c1c[nH]c(C)n1	EMOLS-id_313820707	331.413	WOYUIFNDHKMKBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061002
CC#CC(=O)N1CCc2n(CC1)c(nn2)C(C(C)C)NC(=O)CC	ChEMBL-DNDi_CHEMBL40442947	331.413	KEPGBDOLCBONBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061003
CC#CC(=O)N1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)CC	CoCoCo_1356964	331.413	KEPGBDOLCBONBR-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061004
CC#CC(=O)N1CCc2n(CC1)c(nn2)[C@H](C(C)C)NC(=O)CC	CoCoCo_1356965	331.413	KEPGBDOLCBONBR-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061005
CN(C)CCNC(=O)[C@H]1CN(Cc2ccco2)Cc2ccnn2C1	ZINC22_96188824,PC-id_97463255	331.413	HBKOFUPUYRMNDR-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061026
CC(C)C(=O)NCCc1nnc2CCN(Cc3ccoc3)CCn12	PC-id_42344825,ChEMBL-DNDi_CHEMBL31109889,ZINC22_11999748,CoCoCo_1294573,MCULE-3810257496,CoCoCo_1294572,EMOLS-id_20516113	331.413	QUKAFAXLUDBSQK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061006
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CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cn1cnc(c1C)C)O	PC-id_100067925	331.413	MSCXJPFWULIFLK-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061008
CC(CN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccco1)C	ChEMBL-DNDi_CHEMBL70457972,PC-id_42398261	331.413	AQHMBEQTUPVXFR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061009
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CC(C)N1CCO[C@@H](CC(=O)N2CCCn3nc(C#N)cc3C2)C1	ZINC22_670469773	331.413	AWIZCWHEJWLYQA-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061011
CC(C)N1CCO[C@H](CC(=O)N2CCCn3nc(C#N)cc3C2)C1	ZINC22_670469774	331.413	AWIZCWHEJWLYQA-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061012
CC(Cn1[nH]c(cc1=O)CC(=O)N1CCCc2c(C1)cnn2C)C	MCULE-2527964123,EMOLS-id_316632847	331.413	FJJSETVWVBRNQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061013
CC(C)N(C)CC1CN(Cc2nccn2C1)C(=O)c1cc(C)on1	EMOLS-id_44326165	331.413	MIDMFALPSPFVSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061014
CCN(CC)Cc1cnc2CCN(CCn12)C(=O)c1cc(C)on1	EMOLS-id_44328595,PC-id_97466976,ZINC22_96196831	331.413	KIFHYHGTMFYJGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061015
CCN(CC)CC1CN(Cc2nccn2C1)C(=O)c1cc(C)on1	EMOLS-id_44326127	331.413	DECJTLSFXFEOIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061016
CCN(CC)C[C@H]1CN(C(=O)c2cc(C)on2)Cc2nccn2C1	ZINC22_96188288,PC-id_97462731	331.413	DECJTLSFXFEOIG-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061017
CCN(CC)C[C@@H]1CN(C(=O)c2cc(C)on2)Cc2nccn2C1	ZINC22_96188289,PC-id_97462732	331.413	DECJTLSFXFEOIG-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061018
CCOCc1nnc2CC(C)N(Cc3cccnc3OC)CCn12	EMOLS-id_313824039	331.413	UGVVAUOKUVLWHX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061019
CCOCc1nnc2n1CCN(Cc1cccnc1OC)[C@H](C)C2	ZINC22_585098500	331.413	UGVVAUOKUVLWHX-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061020
CCOCc1nnc2n1CCN(Cc1cccnc1OC)[C@@H](C)C2	ZINC22_585098502	331.413	UGVVAUOKUVLWHX-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061021
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CN(C1CCc2nnc(C)n2CC1)C(=O)CCc1c(C)noc1C	EMOLS-id_97099906,MCULE-3553067142	331.413	FYROECRHYGNNCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061023
CN(C)CCNC(=O)C1CN(Cc2ccco2)Cc2ccnn2C1	EMOLS-id_44326699	331.413	HBKOFUPUYRMNDR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061024
CN(C)CCNC(=O)[C@@H]1CN(Cc2ccco2)Cc2ccnn2C1	PC-id_97463256,ZINC22_96188825	331.413	HBKOFUPUYRMNDR-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061025
CN(CCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccco1)C	MCULE-9518437792,EMOLS-id_319921133	331.413	WTRQQGRBRWTESA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061027
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COc1c(C)[nH]cc(CN(C)Cc2nnc3n2CCCCC3)c1=O	PC-id_146139190,ZINC22_931324302	331.413	BDSQIELXNJMIPK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061029
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COCCn1ncc(c1)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_316666713	331.413	SPQJZXGBGUQTHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061031
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c1(C(=O)NCCc2nncn2C(C)C)cc2n(CCCN(C)C2)n1	MCULE-3318736564,PC-id_50976233,ZINC22_65466492,EMOLS-id_32421254	331.416	SVHBSNWWIKYGQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061055
c1(C(=O)NCCCn2cncn2)cc2n(CCCN(C(C)C)C2)n1	EMOLS-id_32412076,PC-id_50971363,ZINC22_65433823,MCULE-1004154450	331.416	VJHIWGOSJLIJLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061056
c1(C(=O)NCC(C)n2cncn2)cc2n(CCCN(C(C)C)C2)n1	MCULE-7232743160,EMOLS-id_36443142,PC-id_56711564	331.416	BQBMMYLLJRNCMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061057
c1(NC(=O)N(C)Cc2c3CCCCCc3[nH]n2)cn(nn1)C(C)C	EMOLS-id_49153245,MCULE-3556516972,ZINC22_96139969,PC-id_72869314	331.416	ATJTXEJAFBUAKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061058
Cc1cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCNCC3)[nH]n1	PC-id_95188226,ZINC22_67434766	331.416	KZTOHIDUOOXIIR-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061059
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CC1CN(Cc2c(C1)[nH]nc2)Cc1nnnn1CC1CCOCC1	EMOLS-id_320013986,MCULE-8877252352	331.416	YIIHJHNZXRZHOO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061061
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(n1nnnc1C(C)(C)C)C	EMOLS-id_319249259	331.416	RIAMDBWWZRVEMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061062
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Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_1506407662	331.416	KXRNGASTBTYHGR-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061065
Cc1noc(n1)CN1CCN(CC1)Cc1nnc2n1CCCCC2	PC-id_45805777,EMOLS-id_31877360,MCULE-1564689465	331.416	OLSXWOAQOOYBEV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061066
CCc1c(cnn1C(C)(C)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164521	331.416	VAECURBVYMBIAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061067
CCc1cc(n(n1)C)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318996612	331.416	ZURGVMNKDUHHFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061068
CCc1cc(nn1C)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_320172929,MCULE-1397774717	331.416	UBWNPTIBEKJAGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061069
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CCc1nn(cc1NC(=O)N(Cc1nnc2n1CCCCC2)C)C	EMOLS-id_318891731	331.416	CDUSHOGAIHPZPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061071
CCc1noc(n1)C1CCC(CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102028256	331.416	OZCCKXLYKNFESO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-061072
CC(C)C[C@H](NC(=O)c1cnn(C)c1)c1nnc2n1CCNCC2	PC-id_95192251,ZINC22_67540127	331.416	LIPZYMDSXRTKNK-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061073
CC(C)C[C@@H](NC(=O)c1cnn(C)c1)c1nnc2n1CCNCC2	ZINC22_67540128,PC-id_95192252	331.416	LIPZYMDSXRTKNK-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061074
CCCCn1ncc(c1C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319879957	331.416	BSWKAKVMDGAIHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061075
CC(C)N1CCCn2nc(C(=O)NC[C@@H](C)n3cncn3)cc2C1	PC-id_95220156,ZINC22_67872425	331.416	BQBMMYLLJRNCMQ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061076
CC(C)N1CCCn2nc(C(=O)NC[C@H](C)n3cncn3)cc2C1	ZINC22_67872426,PC-id_95220157	331.416	BQBMMYLLJRNCMQ-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061077
CCCn1cc(C(=O)N[C@@H](C)c2nnc3n2CCNCC3)c(C)n1	PC-id_95214186,ZINC22_67817579	331.416	GXCJKZMDUXBITL-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061078
CCCn1cc(C(=O)N[C@H](C)c2nnc3n2CCNCC3)c(C)n1	PC-id_95214187,ZINC22_67817581	331.416	GXCJKZMDUXBITL-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061079
CC(Cn1ccnc1C)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319015496	331.416	YXKFQVNIHDRSDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061080
CC(Cn1ncc(c1C)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_318797639	331.416	PHBRANIYBRHCLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061081
CCCn1ncnc1[C@H](NC(=O)c1nn2c(c1)CN(CCC2)C)C	PC-id_95209364	331.416	GTGRGMOUBFHVOQ-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061082
CCCn1ncnc1[C@@H](NC(=O)c1nn2c(c1)CN(CCC2)C)C	PC-id_95209365	331.416	GTGRGMOUBFHVOQ-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061083
CC(C)N(C)CC1CN(Cc2nccn2C1)C(=O)c1ncn(C)n1	EMOLS-id_313723102	331.416	SEPIUMTWRNGAGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061084
CC(C)N(C)C[C@@H]1CN(C(=O)c2ncn(C)n2)Cc2nccn2C1	ZINC22_1565542358	331.416	SEPIUMTWRNGAGK-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061085
CC(C)N(C)C[C@H]1CN(C(=O)c2ncn(C)n2)Cc2nccn2C1	ZINC22_1614948218	331.416	SEPIUMTWRNGAGK-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061086
CC(C)N(C)CC(=O)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_1565548483	331.416	ZLGCLLZUPRCUBF-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061087
CC(C)N(C)CC(=O)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_1614930306	331.416	ZLGCLLZUPRCUBF-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061088
CC(C)N(C)CC(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_313724380	331.416	ZLGCLLZUPRCUBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061089
CCn1ncc(n1)CNC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319061589	331.416	SUGQMSACXIHRIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061090
Cn1cncc1CN1CCCn2c(C1)c(nn2)CN1CCOCC1	PC-id_97519700	331.416	BATSFOSHMVXICJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061091
CN(CCn1nccc1C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_278505968	331.416	NDTMTTSRPJZOCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061092
CNC(C(=O)N[C@@H](c1nnc2n1CCCCC2)C)c1cnn(c1)C	PC-id_121752443	331.416	XZUQCVMISGSYOX-YNODCEANSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061093
CN=C(NCc1nnc2n1CCCCC2)NCc1c(C)noc1C	PC-id_120050285	331.416	MHRWDVTUQMPFRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061094
CN=C(NCc1nnc2n1CCCCC2)NCc1oc(c(n1)C)C	PC-id_109428403	331.416	JAPIPNZHKRIYBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061095
CN(C(=O)C(n1cnnc1)C(C)C)Cc1nnc2n1CCCCC2	EMOLS-id_318953228	331.416	IEILXVLYTJCFDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061096
CN(C(=O)Nc1ccn(n1)C(C)C)Cc1nnc2n1CCCCC2	EMOLS-id_319478249	331.416	PPQDAJCHHLGWNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061097
OC1(CCCN(C1)Cc1nnc2n1CCCCC2)Cn1ccnn1	MCULE-6212517202,EMOLS-id_316059741	331.416	MPKGKQRBNRMUQS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061098
O[C@@]1(Cn2ccnn2)CCCN(Cc2nnc3n2CCCCC3)C1	ZINC22_573030265	331.416	MPKGKQRBNRMUQS-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061099
O[C@]1(Cn2ccnn2)CCCN(Cc2nnc3n2CCCCC3)C1	ZINC22_573030266	331.416	MPKGKQRBNRMUQS-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061100
OCc1cn([C@@H]2CCCN(Cc3nnc4n3CCCCC4)C2)nn1	ZINC22_328801060	331.416	YZRMJRNZTJWYSJ-CQSZACIVSA-N	00000000100010000101100000000010000000000000000000000000	31-01-061101
OCc1nnn(c1)C1CCCN(C1)Cc1nnc2n1CCCCC2	MCULE-7384490182,EMOLS-id_98070081	331.416	YZRMJRNZTJWYSJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-061102
O=C(C(n1nnnc1C(C)(C)C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101674784	331.416	VIIXOPGMVJOPBC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061103
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)NCCCc1n[nH]cn1	MCULE-6568575015,EMOLS-id_258179895	331.416	DOMSWFKGNGGUGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061104
O=C(N1CCCc2c(C1)cnn2C)NCc1n[nH]c(n1)C(C)(C)C	EMOLS-id_101690177	331.416	VMQAVBVTXLTUTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061105
O=C(NC(c1n(ncn1)CCC)C)c1nn2CCCN(Cc2c1)C	PC-id_56708502	331.416	GTGRGMOUBFHVOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061106
O=C(NC(CC(C)C)c1n2CCNCCc2nn1)c1nc[nH]c1C	PC-id_56703491	331.416	HIVJNLXVTBUJGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061107
s1c2CCCCCCc2cc1C(=O)N(CCOC)CC(F)F	PC-id_56364223	331.421	XUGHVHDZSRKJCA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061108
CC(c1ccc(c2-c(c1)c(C)cc2C=c1ccccc1=C(O)[O-])C)C	PC-id_102159072	331.428	KKTMMWJLXZCPMD-UHFFFAOYSA-M	00000010100000100110000000000010000000000000000000000000	31-01-061109
c1(cc2c(CCCCC2)s1)C(=O)Nc1ccc(c(OC)c1)OC	MCULE-9402976650,TIMTEC331337,PC-id_1245255,ZINC22_1053630,CoCoCo_540807,EMOLS-id_2041444	331.429	NHESUWFJCXPHOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061110
C(c1c2-c(cc1)ccccc2)(c1c2-c(cc1)ccccc2)[C]1[CH][CH][CH][CH]1	PC-id_10813501	331.429	VOGRQOCFQWJLFQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-061111
CC(C1(CCCCn2c1ccc2C(=O)c1cscc1)C(=O)O)C	PC-id_54544777,SCHEMBL11200608	331.429	ZFTNTUPCOOQKJT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-061112
CCCc1cc2n(c1C(=O)c1cscc1)CCCCC2C(=O)O	SCHEMBL11200598,PC-id_20483757	331.429	QEMHWCLYMAAIBA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-061113
CCCOC(=O)C1CCCCn2c1ccc2C(=O)c1cccs1	SCHEMBL11200943,PC-id_20483766	331.429	LZJYPYPPMSXBMM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-061114
CC(OC(=O)C1CCCC(n2c1ccc2)C(=O)c1cccs1)C	SCHEMBL11194128,PC-id_20483925	331.429	SXMTTWGLCBNDCR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-061115
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1ccsc1)C	PC-id_20483880,SCHEMBL11200611	331.429	INUWGXRWSWSMSO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-061116
COc1ccc(c(c1)OC)NC(=O)c1csc2c1CCCCC2	ChEMBL-DNDi_CHEMBLC760-0917,PC-id_16193880,CHEMBL1401943,CoCoCo_2171520	331.429	YFPLVEWJPAPYGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061117
COc1cccc(OC)c1CC(=O)N1CCCc2sccc2C1	PC-id_84586611,MCULE-9956764389,EMOLS-id_49105610,ZINC22_95410556	331.429	UIGGWXLNFDJWKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061118
COc1ccc(O)c(CNC(=O)c2cc3c(s2)CCCCC3)c1	EMOLS-id_50321808,PC-id_99808199,ZINC22_170626933,MCULE-7604881151	331.429	ZWFIOUMWAQIDKD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061119
Oc1ccc(cc1)C(CNC(=O)c1cc2c(s1)CCCCC2)O	EMOLS-id_318806354	331.429	ICWCNAJPVAEMBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061120
OCc1cc(ccc1CO)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_316701830	331.429	MNCNHFNYVOSYEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061121
OC(=O)C1CCCCn2c1c(cc2C(=O)c1cscc1)C(C)C	SCHEMBL11200614,PC-id_70535857	331.429	KNOHRAYYIDVTEL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-061122
O=C(OCCCn1ccccc1=O)c1cc2c(s1)CCCCC2	PC-id_99804262,EMOLS-id_50316074,MCULE-1601865746,ZINC22_170621296	331.429	KSBXQVUZBGRUJC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-061123
s1c2CCCCCc2cc1C(=O)Nc1cc(OC)cc(OC)c1	PC-id_9096951	331.429	QRRRWDCBKXTXTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061124
s1c2CCCCCc2cc1C(=O)Nc1c(OC)ccc(OC)c1	PC-id_9098524	331.429	SHYHXGCUYYFZRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061125
s1c2CCCCCc2cc1C(=O)Nc1c(OC)cc(OC)cc1	PC-id_24536369	331.429	HUAZKGMMXVMGTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061126
CC(C)N(C)Cc1nnc2CCN(Cc3ccc(F)cc3)CCn12	ZINC22_96058953,PC-id_97381609,EMOLS-id_46148203	331.431	JASIOCKPPBTAHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061128
c12CN(Cc1cnn2CCO)C(=O)c1cc2c(CCCCC2)s1	PC-id_56756418,EMOLS-id_36607844,ZINC22_67908349,MCULE-7352697510	331.433	OPEGOHXLRRVPRH-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-061129
C1CC1CNC(=O)c1nc2c(o1)CCN(CC2)Cc1cccs1	PC-id_134806228	331.433	UJJCSJXJRHBGCD-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061130
c1(cc2c(CCCCC2)s1)C(=O)N1CCC(C1)c1onc(C)n1	PC-id_118769698,EMOLS-id_68889065,MCULE-7092667572	331.433	JOCCUKONVKXKMX-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-061131
c1(C(O)c2ccccc2)cc2n(CCCN(C(=O)CSC)C2)n1	EMOLS-id_55612333,MCULE-2447494332,PC-id_91763403	331.433	HVYCJYRBTRTICJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061132
c1(NC(=O)Nc2ccc(cc2)OC)sc2c(CCCCCC2)n1	MCULE-4888103471,EMOLS-id_30172559,PC-id_46350009	331.433	PCKISCPZMXPKQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061133
c1(NC(=O)Nc2cccc(OC)c2)sc2c(CCCCCC2)n1	EMOLS-id_16329860,CoCoCo_2552420,MCULE-1909212308,PC-id_20966639	331.433	MVEPVTADAVLQHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061134
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cccc(c1)C1CC1	EMOLS-id_318865138	331.433	FGJACSIPOYUDDW-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-061135
Cc1cc(C)c(c(=O)[nH]1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110490481	331.433	IEGSPVXOIOAOQQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061136
Cc1ccn(c(=O)c1)CC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101171679	331.433	FFQAVDRILJUOGB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061137
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1OCCc2c1scc2	EMOLS-id_319234501	331.433	ZDVTUCPWHNPEKV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061138
Cc1cnc(s1)C(C1CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100119879	331.433	RNPMWIMRYMUOEW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-061139
Cc1noc([C@@H]2CCN(C(=O)c3cc4c(s3)CCCCC4)C2)n1	ZINC22_299757218	331.433	JOCCUKONVKXKMX-CYBMUJFWSA-N	00000010100000000101100000000010000000000000000000000000	31-01-061140
Cc1noc([C@H]2CCN(C(=O)c3cc4c(s3)CCCCC4)C2)n1	ZINC22_299757219	331.433	JOCCUKONVKXKMX-ZDUSSCGKSA-N	00000010100000000101100000000010000000000000000000000000	31-01-061141
Cc1noc(n1)C1CCCN1C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98833318	331.433	HLJQGKMCWYLMSK-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-061142
CCc1[nH]c(=O)cc(c1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98989139	331.433	CYWBAQHWGXYGQE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061143
CCCc1cc(cc(=O)[nH]1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-4666804812,EMOLS-id_320125973	331.433	MLJDTQAMAFXIQU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061144
C=CCOCC1CN(Cc2ccnn2C1)C(=O)Cc1ccsc1	EMOLS-id_44326971	331.433	APJZDAAHZQRHKG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061145
C=CCOCC1CN(Cc2nccn2C1)C(=O)Cc1ccsc1	EMOLS-id_44325887	331.433	LYTNAVCMSXFYTH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061146
C=CCOC[C@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn2C1	PC-id_97463461,ZINC22_96189042	331.433	APJZDAAHZQRHKG-HNNXBMFYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061147
C=CCOC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn2C1	PC-id_97463462,ZINC22_96189043	331.433	APJZDAAHZQRHKG-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061148
C=CCOC[C@H]1CN(C(=O)Cc2ccsc2)Cc2nccn2C1	PC-id_97462305,ZINC22_96187854	331.433	LYTNAVCMSXFYTH-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061149
C=CCOC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2nccn2C1	PC-id_97462306,ZINC22_96187855	331.433	LYTNAVCMSXFYTH-HNNXBMFYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061150
CC(C(=O)Nc1sc2c(n1)CCCCCC2)Oc1cccnc1	EMOLS-id_99321595	331.433	IBOPYFGZSGDRIC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061151
C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc(C2CC2)no1	PC-id_100219035,ZINC22_223255443	331.433	UZHLIXVVIZRTAB-JTQLQIEISA-N	00100000100000000101100000000010000000000000000000000000	31-01-061152
C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc(C2CC2)no1	ZINC22_223255388,PC-id_100219026	331.433	UZHLIXVVIZRTAB-SNVBAGLBSA-N	00100000100000000101100000000010000000000000000000000000	31-01-061153
CC(NC(=O)c1cc2CCCCCc2s1)c1nc(no1)C1CC1	PC-id_91791271,EMOLS-id_55692611,MCULE-4227905373	331.433	UZHLIXVVIZRTAB-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-061154
CCOc1ccc(cc1)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_5902037,CoCoCo_5902036	331.433	HPBAPAIRIRCZLG-NTCAYCPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061155
CCOc1ccc(cc1)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_5902038,CoCoCo_5902035	331.433	HPBAPAIRIRCZLG-QINSGFPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061156
CCOc1ccc(cc1)C(=O)CSc1nnc2n1CCCCC2	PC-id_33780006,CoCoCo_5902034	331.433	JPGHSRXLFOJXSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061157
CC(Oc1ccc(cn1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319547647	331.433	BHGMRLAAXFCGLZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061158
CC(=O)c1c(C)[nH]c(C(=O)Nc2nc3c(s2)CCCCC3)c1C	EMOLS-id_13529404,ZINC22_14185978,PC-id_17464440,CoCoCo_4546105,MCULE-7289029852	331.433	GGYAHRWFAVIFSW-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-061159
CCOCC1CN(Cc2cncn2C1)C(=O)/C=C/c1cccs1	EMOLS-id_49237141	331.433	ZLNBWWLBGNJIFK-AATRIKPKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061160
CCOC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2cncn2C1	PC-id_97485650,ZINC22_96218627	331.433	ZLNBWWLBGNJIFK-VBROQKIQSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061161
CCOC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2cncn2C1	ZINC22_96218625,PC-id_97485648	331.433	ZLNBWWLBGNJIFK-GJBLVYBDSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061162
CCOC(=O)[C@@H](c1ccccc1)Sc1nnc2n1CCCCC2	CoCoCo_3081854,PC-id_8118979	331.433	AVMOXFFKDBAYCP-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061163
CCOC(=O)[C@H](c1ccccc1)Sc1nnc2n1CCCCC2	PC-id_8118980,CoCoCo_3081855	331.433	AVMOXFFKDBAYCP-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061164
CCS(=O)c1ccccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319949086,MCULE-6206085208	331.433	JDPLLAXRNCFZPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061165
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccc2c(c1)CCC2	EMOLS-id_101945991	331.433	MFUJZXMJCOLGHW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-061166
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccc(cc1)C1CC1	EMOLS-id_101951061	331.433	DXRKMESDBPJDDU-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-061167
Cn1ncc2c1CCCN(C2)S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1	EMOLS-id_101951043	331.433	MXEYTLCLKVIDMX-DOTOQJQBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-061168
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1sccc1C	EMOLS-id_313814560	331.433	VYNYZZMQGXPEKI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061169
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)Cc1cccs1	EMOLS-id_313814304	331.433	WOAPQNRTJUMQRW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061170
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)Cc1ccsc1	EMOLS-id_313814048	331.433	LZJJWYPMVWAQGF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061171
CNC(=O)C[C@H]1CN(C(=O)c2sccc2C)Cc2cccn2C1	ZINC22_585099219	331.433	VYNYZZMQGXPEKI-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061172
CNC(=O)C[C@@H]1CN(C(=O)c2sccc2C)Cc2cccn2C1	ZINC22_585099220	331.433	VYNYZZMQGXPEKI-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061173
CNC(=O)C[C@H]1CN(C(=O)Cc2cccs2)Cc2cccn2C1	ZINC22_585099227	331.433	WOAPQNRTJUMQRW-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061174
CNC(=O)C[C@@H]1CN(C(=O)Cc2cccs2)Cc2cccn2C1	ZINC22_585099228	331.433	WOAPQNRTJUMQRW-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061175
CNC(=O)C[C@@H]1CN(C(=O)Cc2ccsc2)Cc2cccn2C1	ZINC22_585099099	331.433	LZJJWYPMVWAQGF-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061176
CNC(=O)C[C@H]1CN(C(=O)Cc2ccsc2)Cc2cccn2C1	ZINC22_585099100	331.433	LZJJWYPMVWAQGF-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061177
COc1ccc(cc1/C=C/CN1CCc2c(CC1)nc(s2)N)O	PC-id_19985854,SCHEMBL7292884	331.433	RZHVQFAXOZNOHX-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061178
COc1ccc(c(c1)/C=C/CN1CCc2c(CC1)nc(s2)N)O	PC-id_19985908,SCHEMBL7294368	331.433	OWWJURSFGBPQRH-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061179
COc1cccc(c1/C=C/CN1CCc2c(CC1)nc(s2)N)O	SCHEMBL7285386,PC-id_19985770	331.433	RMDFVEVWGMTMMF-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061180
COc1cccc(c1)CN1CCc2c(CC1)nc(s2)C(=O)NC	PC-id_97410607	331.433	DWJRVIPSFBBYGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061181
COc1cccc(c1)CNC(=O)Nc1nc2c(s1)CCCCC2	CoCoCo_2552415,PC-id_20966636	331.433	VEJNZCWXVMKQDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061182
COc1ccccc1CNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825191	331.433	MRDLZGBPTWNKOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061183
COc1ccc(cc1)CNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825194	331.433	BYMYNSUMDFQGKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061184
COc1ccccc1NC(=O)Nc1nc2CCCCCCc2s1	PC-id_20966638,CoCoCo_2552419,EMOLS-id_16329858,MCULE-7745826829	331.433	HNOPHGCZIBHWMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061185
COc1ccc(c(c1)O)/C=C/CN1CCc2c(CC1)nc(s2)N	PC-id_19985804,SCHEMBL7294253	331.433	ZOOFKJPYSJUEHY-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061186
COc1cccc(c1O)/C=C/CN1CCc2c(CC1)nc(s2)N	PC-id_19985936,SCHEMBL7294091	331.433	LGHQQQCQQIZDRM-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061187
COc1ccc(cc1O)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7286341,PC-id_19985729	331.433	XGVKJKQFVXVYQN-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061188
COc1ccc(C)cc1C(=O)CSc1nnc2n1CCCCC2	MCULE-9746497420,ZINC22_58292999,EMOLS-id_32143441,PC-id_51100601	331.433	QTSWXLPIJOHHKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061189
COc1cc(/C=C/CN2CCc3c(CC2)nc(s3)N)cc(c1)O	SCHEMBL7286440,PC-id_19985917	331.433	BPSMSFSJVJNFQR-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061190
COc1c(/C=C/CN2CCc3c(CC2)nc(s3)N)cccc1O	PC-id_19985909,SCHEMBL7286841	331.433	XNRYHNRCKPMPQT-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061191
COc1ccc(C(=O)C)cc1CSc1nnc2n1CCCCC2	EMOLS-id_48335227,MCULE-3559625083,PC-id_7876895,ZINC22_6097451	331.433	FDVRMLYWNJAGCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061192
COc1ccc(nc1)CC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98062830	331.433	KRMZJZOCHCLQEK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061193
COC(=O)C1CCc2n(CC1)c(nn2)CSc1ccc(cc1)C	MCULE-6576964480,EMOLS-id_313166403	331.433	KYMOCAFGTWEGJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061194
COC(=O)[C@@H]1CCc2nnc(CSc3ccc(C)cc3)n2CC1	ZINC22_601043959	331.433	KYMOCAFGTWEGJS-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061195
COC(=O)[C@H]1CCc2nnc(CSc3ccc(C)cc3)n2CC1	ZINC22_601043961	331.433	KYMOCAFGTWEGJS-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061196
CSCC(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_575403040	331.433	FUILFACJOQYVCQ-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061197
CSCC(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_575403043	331.433	FUILFACJOQYVCQ-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061198
CSCC(=O)N1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_100018294	331.433	HVYCJYRBTRTICJ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061199
CSCC(=O)N1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_100018297	331.433	HVYCJYRBTRTICJ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061200
CSCC(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_55750443	331.433	FUILFACJOQYVCQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061201
N#Cc1c(NC(=O)C2CN(C2)C(=O)C)sc2c1CCCCCC2	EMOLS-id_100089849	331.433	UWLHLBBIZPHQQW-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-061202
Oc1cc(cc(n1)C(C)C)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319866721	331.433	QHFNDPLBCTURQB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061203
Oc1ccnc(n1)CCN(C(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_318834302	331.433	BZNBBDLMXOSVPY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061204
O=c1n2CCCCCc2nn1C[NH+](Cc1ccc(OCC)cc1)C	PC-id_25992243	331.433	CTXQSRNZESYMKS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-061205
Oc1[nH]nc(c1)C1CCN(C1)C(=O)c1cc2c(s1)CCCCC2	MCULE-6673191193,EMOLS-id_320231420	331.433	SJJRKBCATUFDMV-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-061206
O=C(c1cc2c(s1)CCCCC2)N1CCCC(C1)c1nocn1	EMOLS-id_319282925	331.433	BJKXHZWTLIHUAR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-061207
O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)c1nocn1	EMOLS-id_319724961	331.433	OGFBNHRXEWRZDT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-061208
O=C(c1cccs1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	PC-id_97463536,ZINC22_96189121	331.433	WMEJAJGJXCOEKT-AWEZNQCLSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061209
O=C(c1cccs1)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_96189120,PC-id_97463535	331.433	WMEJAJGJXCOEKT-CQSZACIVSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061210
O=C(c1cccs1)N1CCCn2cnc(COCC3CC3)c2C1	PC-id_97381680,EMOLS-id_46148345,ZINC22_96059027	331.433	STDVUVJEOQWUFP-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061211
O=C(c1ccsc1)N1Cc2nccn2C[C@H](COCC2CC2)C1	PC-id_97462345,ZINC22_96187896	331.433	RLDSATZULSGDLM-AWEZNQCLSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061212
O=C(c1ccsc1)N1Cc2nccn2C[C@@H](COCC2CC2)C1	PC-id_97462346,ZINC22_96187897	331.433	RLDSATZULSGDLM-CQSZACIVSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061213
O=C(c1cscc1)N1CCCn2c(C1)c(COCC1CC1)nc2	PC-id_97520053	331.433	XXVAUSFIOIGWCT-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061214
O=C(c1nc2c(s1)CCN(CC2)Cc1cocc1)N1CCCC1	PC-id_97462040	331.433	FKNSERHZLBBKRT-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-061215
O=C(c1ncoc1C1CCNCC1)N1CCCc2c(C1)ccs2	EMOLS-id_319589748	331.433	UNVXRIKEYAVCMQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-061216
O=C(c1noc2c1CCCCC2)NC1(CCCC1)c1nccs1	EMOLS-id_100991224	331.433	XDCDJJJCZBENKH-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-061217
O=C(c1oc(nc1C)C1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99548876	331.433	XMHNZKRQFGCQNR-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-061218
O=C(c1oc(nc1C)CC1CC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_100181612	331.433	XEALCCJVYUATQG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-061219
O=C(c1sc2c(c1)CCCCCC2)Nc1[nH]nc2c1COCC2	EMOLS-id_320255468,MCULE-5783921928	331.433	BBRGOFQBQPAJGG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061220
O=C(N1CC(C1)(O)c1ccnn1C)c1cc2c(s1)CCCCC2	EMOLS-id_318906099	331.433	BLOYNPBZEINZQT-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-061221
O=C(N1CC(C1)(O)c1nccn1C)c1cc2c(s1)CCCCC2	EMOLS-id_319842851	331.433	KMNYBIHSGBYRDR-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-061222
O=C(N1CCc2c(C1)c(N)on2)c1sc2c(c1)CCCCCC2	EMOLS-id_319506388	331.433	KPTWNMKHCIYLFI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061223
O=C(N1CCc2c(C1)n(C)nc2O)c1cc2c(s1)CCCCC2	MCULE-1214651285,EMOLS-id_258143857	331.433	DZWXQIOWWSSKAE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061224
O=C(N1CCC(C1)c1ncon1)c1sc2c(c1)CCCCCC2	EMOLS-id_319280232	331.433	SIUFDPOMMRVSAW-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-061225
O=C(N1CCCc2c(C1)cco2)Nc1nc2c(s1)CCCCC2	EMOLS-id_99321829	331.433	ALDPIWSZVBJNCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061226
O=C(N1CCCc2c(C1)cco2)Nc1sc2c(n1)C(CC2)(C)C	EMOLS-id_102009129	331.433	BYZHJCYNONPSET-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-061227
O=C(N1CCCc2c(C1)ccs2)c1cnc(o1)C1CCNCC1	EMOLS-id_319177087	331.433	RLBJSELFGCHWOF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-061228
O=C(N1CCCCc2c1sc(n2)C)C(OCc1ccncc1)C	EMOLS-id_319811562	331.433	YHGMBDDNQCWWOD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061229
O=C(N1CC(COCC2CC2)Cn2ccnc2C1)c1ccsc1	EMOLS-id_44325929	331.433	RLDSATZULSGDLM-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061230
O=C(N1CC(COCC2CC2)Cn2nccc2C1)c1cccs1	EMOLS-id_44327055	331.433	WMEJAJGJXCOEKT-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061231
O=C(NC1CCCc2c1cco2)Nc1nc2c(s1)CCCCC2	PC-id_112838303	331.433	BBIWQSOPZBCBFL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061232
O=C(Nc1nc2c(s1)CCCCC2)NCCOc1ccccc1	PC-id_112825067	331.433	QOAZXPGHDJVGRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061233
O=C(NCc1nnc(C2CC2)o1)c1cc2c(s1)CCCCCC2	ZINC22_186911441,PC-id_136533712,MCULE-3368932714,EMOLS-id_316922887	331.433	IYBQNRZCVTVTKT-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-061234
s1c2CCCCCCc2cc1C(=O)NCc1onc(n1)C1CC1	PC-id_52406173	331.433	YPRCGLYWJPJYNL-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-061235
s1c2CCCCCCc2nc1NC(=O)c1c(OCC)nccc1	PC-id_56022359	331.433	SBADNWPLFLGNIQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061236
s1c2CCN(CCc2nc1N)CC=Cc1cc(OC)cc(O)c1	PC-id_53694737	331.433	BPSMSFSJVJNFQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061237
s1c2CCN(CCc2nc1N)CC=Cc1cc(O)c(OC)cc1	PC-id_54468790	331.433	XGVKJKQFVXVYQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061238
s1c2CCN(CCc2nc1N)CC=Cc1c(OC)cccc1O	PC-id_54274013	331.433	RMDFVEVWGMTMMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061239
s1c2CCN(CCc2nc1N)CC=Cc1c(OC)ccc(O)c1	PC-id_54293720	331.433	RZHVQFAXOZNOHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061240
s1c2CCN(CCc2nc1N)CC=Cc1c(O)ccc(OC)c1	PC-id_54173826	331.433	OWWJURSFGBPQRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061241
s1c2CCN(CCc2nc1N)CC=Cc1c(OC)c(O)ccc1	PC-id_54479074	331.433	XNRYHNRCKPMPQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061242
s1c2CCN(CCc2nc1N)CC=Cc1c(O)cc(OC)cc1	PC-id_54558060	331.433	ZOOFKJPYSJUEHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061243
s1c2CCN(CCc2nc1N)CC=Cc1c(O)c(OC)ccc1	PC-id_54032062	331.433	LGHQQQCQQIZDRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061244
S(c1n2CCCCCc2nn1)C(c1ccccc1)C(=O)OCC	PC-id_4803997	331.433	AVMOXFFKDBAYCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061245
CCS(=O)(=O)N1CCCn2nnc(COCCN(C)C)c2C1	PC-id_97381495,ZINC22_96058838,EMOLS-id_46147973	331.434	IKQGDYRSWZSCPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061246
s1c2c(n(c1=NN=C(c1c3-c(cc1)ccccc3)C)C)cccc2	PC-id_86116579	331.434	APSWZJXBMVPKGR-UHFFFAOYSA-N	00000010100000100111000001000010000000000000000000000000	31-01-061247
c12C(CCCCn1nnn2)C(=O)NCc1csc2CCCCc12	PC-id_74243552,MCULE-2390935913,EMOLS-id_49666354	331.436	IQHSOLRUCDEAJY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061248
c1(cn2c(CCNCC2)n1)C(=O)N1CCCCC1c1sccn1	MCULE-1399171333,EMOLS-id_330448959	331.436	ZMMXDIJHDCIUTF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-061249
c1(C(=O)NCCc2sc3c(CCC3)n2)cn2c(CCNCC2)n1	ZINC22_1857717814,EMOLS-id_330402551,MCULE-2188756380	331.436	ZLLMIFFERSMDRK-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-061250
c1(C(=O)N)cn2c(CCN(Cc3sc4c(CCCC4)n3)CC2)n1	MCULE-9881548580,EMOLS-id_336477112,ZINC22_1940194877	331.436	YWZFAKKZJXRDCD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061251
CC1CCc2c(C1)cc(s2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168187	331.436	SFQCIBOOFOOBHH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061252
CC1CCc2c(C1)scc2C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166396	331.436	DBPONGWSMYLALQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061253
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CCN(CC)C[C@@H]1CN(Cc2c(C)noc2C)Cc2nccn2C1	ZINC22_96066909,PC-id_97389241	331.456	IXBCRSMUDJHNFT-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061342
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O=C(N1CCC(C1)C1CCCC1)NCc1nnc2n1CCCCC2	EMOLS-id_102006186	331.456	ITFZQQVCQSUEBG-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-061360
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O=C(N1CCCC1)N1Cc2ccnn2C[C@H](CN2CCCCC2)C1	ZINC22_306129858	331.456	IOYRLNDQZJXPJM-MRXNPFEDSA-N	00000010100010000101000000000010000000000000000000000000	31-01-061362
O=C(N1CCCC1)N1CC(CN2CCCCC2)Cn2nccc2C1	EMOLS-id_55733056	331.456	IOYRLNDQZJXPJM-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-061363
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O=C(N1CCCc2c(C1)cnn2C)NCC1CCCCN1C1CC1	EMOLS-id_101688089	331.456	AQBSCWFYMHVUMZ-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-061365
O=C(N1C[C@@H]2[C@H](C1)CCCC2)NCCc1nnc2n1CCCCC2	EMOLS-id_101387395	331.456	CIOWYQSFQWKSOZ-GASCZTMLSA-N	00000010100010000101000000000110000000000000000000000000	31-01-061366
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O=C(NC1C(C1)C1CCCCC1)NCc1n2CCCCCc2nn1	EMOLS-id_45656517,PC-id_71926051,MCULE-7462652699	331.456	KXYDVSATRCUQDR-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-061368
O=C(NC1CCC2C(C1)CCC2)NCc1nnc2n1CCCCC2	EMOLS-id_99798473	331.456	GVCLJRMLBJMSOP-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-061369
O=C(NCC1C2CC(C1)CC2)NCCc1n2CCCCCc2nn1	EMOLS-id_48227880,MCULE-6024611250,PC-id_75369193	331.456	VVGUUNGPUKHUSJ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-061370
O=C(NCc1nnc2n1CCCCC2)N[C@@H]1C[C@@H]1C1CCCCC1	PC-id_97080646,ZINC22_89819320	331.456	KXYDVSATRCUQDR-HUUCEWRRSA-N	00100000100010000101100000000010000000000000000000000000	31-01-061371
O=C(NCc1nnc2n1CCCCC2)N[C@H]1C[C@@H]1C1CCCCC1	PC-id_97080647,ZINC22_89819322	331.456	KXYDVSATRCUQDR-CABCVRRESA-N	00100000100010000101100000000010000000000000000000000000	31-01-061372
O=C(NCc1nnc2n1CCCCC2)N[C@@H]1C[C@H]1C1CCCCC1	PC-id_97080648,ZINC22_89819325	331.456	KXYDVSATRCUQDR-LSDHHAIUSA-N	00100000100010000101100000000010000000000000000000000000	31-01-061373
O=C(NCc1nnc2n1CCCCC2)N[C@H]1C[C@H]1C1CCCCC1	PC-id_97080649,ZINC22_89819327	331.456	KXYDVSATRCUQDR-GJZGRUSLSA-N	00100000100010000101100000000010000000000000000000000000	31-01-061374
O=C(NCCc1nnc2n1CCCCC2)NC[C@@H]1C[C@H]2CC[C@H]1C2	PC-id_98846450,ZINC22_108073463	331.456	VVGUUNGPUKHUSJ-KKUMJFAQSA-N	00000010100010000101000000000110000000000000000000000000	31-01-061375
O=C(NCCc1nnc2n1CCCCC2)NC[C@H]1C[C@H]2CC[C@H]1C2	PC-id_98846451,ZINC22_108073466	331.456	VVGUUNGPUKHUSJ-SOUVJXGZSA-N	00000010100010000101000000000110000000000000000000000000	31-01-061376
Cc1nc(Sc2nnc3n2CCCCC3)c2c(n1)scc2C	EMOLS-id_111158968	331.459	FTUSGTCMENLNJX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-061377
Cc1nn(c(c1CNC(c1nnc2n1CCCCC2)C)N(C)C)C	EMOLS-id_33322329,PC-id_51104935,MCULE-8538818040	331.459	FHBCANJFVFFYHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061378
Cc1nn(C)c(N(C)C)c1CN[C@H](C)c1nnc2n1CCCCC2	PC-id_94823200,ZINC22_58405205	331.459	FHBCANJFVFFYHV-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061379
Cc1nn(C)c(N(C)C)c1CN[C@@H](C)c1nnc2n1CCCCC2	ZINC22_58405203,PC-id_94823199	331.459	FHBCANJFVFFYHV-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061380
Cc1sc2c(c1C)c(ncn2)Sc1nnc2n1CCCCC2	EMOLS-id_72964171,MCULE-6209422477,PC-id_51284286	331.459	IMCINTPNCFWIBR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-061381
CN=C(NC1CCN(C1)C1CC1)NCc1nnc2n1CCCCC2	PC-id_119150079	331.459	VARSAVYXLODZMX-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-061382
s1c(=Nc2nc(c([N+]#[C-])cc2C)C)n2n(CCCCC2)c1=S	PC-id_18717176	331.459	NWSLSOAJHLVZRI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061383
c1(NC(=O)CCCCCn2cccc2)sc2c(CCCCC2)n1	MCULE-2161231268,EMOLS-id_323287891	331.476	JENOVRQYNIEKNT-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-061384
c1(sc2c(CCCCC2)n1)NC(=O)[C@H](CC(C)C)n1cccc1	MCULE-2276104392,EMOLS-id_323282753	331.476	DLGQKXAGDFRORC-HNNXBMFYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-061385
CC1CCCCN1CC(=O)Nc1sc2CCCCCc2c1C#N	MCULE-2871314667,BindingDB_PC-id_4174769,PC-id_4174769,EMOLS-id_4271532	331.476	MWWNFBMMPFQKBZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061386
Cc1ccc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)s1	PC-id_97367709,ZINC22_96044198	331.476	RHLBQDVUDYWEIC-INIZCTEOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061387
Cc1ccc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)s1	ZINC22_96044197,PC-id_97367708	331.476	RHLBQDVUDYWEIC-MRXNPFEDSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061388
Cc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)s1	PC-id_97381673,ZINC22_96059020,EMOLS-id_46148331	331.476	HWNSPVGLEJBWFH-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061389
Cc1ccc(CN2CC(COCC3CC3)Cn3nccc3C2)s1	EMOLS-id_46128747	331.476	RHLBQDVUDYWEIC-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061390
CC1CCN(CC(=O)Nc2c(C#N)c3c(CCCCC3)s2)CC1	PC-id_705215,MCULE-3872581937,ZINC22_90132,CoCoCo_3571177,SPECS-id_AF-399/40654510,CoCoCo_3571178,EMOLS-id_3064360	331.476	KUKBWZZMZKCEKL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061391
Cc1ccsc1CN1Cc2cncn2C[C@H](COCC2CC2)C1	ZINC22_96207224,PC-id_97475351	331.476	VQIRWEZPLKFPDE-MRXNPFEDSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061392
Cc1ccsc1CN1Cc2cncn2C[C@@H](COCC2CC2)C1	ZINC22_96207225,PC-id_97475352	331.476	VQIRWEZPLKFPDE-INIZCTEOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061393
Cc1ccsc1CN1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49229813	331.476	VQIRWEZPLKFPDE-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061394
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCc1cc(sc1C)C	MCULE-7376769002,EMOLS-id_320292471	331.476	UTOMROFSCSSMKN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061395
Cc1nn(c(c1)C)CCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_16351238,EMOLS-id_257862799,MCULE-8113879140	331.476	DFPGZUWDDBHEFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061396
Cc1nn(C)c(C)c1CCNC(=O)c1cc2c(s1)CCCCC2	ZINC22_84012193,EMOLS-id_44527174,PC-id_71897367,MCULE-5324388726	331.476	BQYYHTJFKREYBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061397
C[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_2886794,PC-id_2239002,CoCoCo_3572732,CoCoCo_3572733	331.476	MWWNFBMMPFQKBZ-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061398
C[C@@H]1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_2886796,CoCoCo_3572730,CoCoCo_3572731,PC-id_2239005	331.476	MWWNFBMMPFQKBZ-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061399
CCN(C1CC1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_99089236	331.476	POBHMIHYUGSVHR-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-061400
CCN(CC(=C)C)CC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_78787483,EMOLS-id_337901356	331.476	CRNZHWHXVHWSLD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061401
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CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1	PC-id_51111330,EMOLS-id_33339188,ZINC22_53814252,MCULE-7460893378	331.476	FGGXUOZEYXGQID-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-061403
N#Cc1c(NC(=O)CCN2CCCCC2)sc2c1CCCCC2	MCULE-1832015297,PC-id_8894417,ZINC22_7780583,EMOLS-id_48930971,CoCoCo_3561501	331.476	OXWOVVPJHLNSIZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061404
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s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CCCCC1)C)C#N	PC-id_9249651	331.476	HHSYWLAOVGXVBB-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061408
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CCCCC1)C)C#N	PC-id_9249653	331.476	HHSYWLAOVGXVBB-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061409
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(CCC1)C)C#N	PC-id_4824466	331.476	UVHOUXIPYJUGON-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061410
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCCCC1)C)C#N	PC-id_84963372	331.476	HHSYWLAOVGXVBB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061411
s1c2CCCCCCc2cc1C(=O)NCC(Cn1nccc1)C	PC-id_75884435	331.476	UCYPYFJPHGFLNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061412
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Cc1nc(CN2Cc3nccn3C[C@@H](CN3CCCC3)C2)cs1	PC-id_97462790,ZINC22_96188351	331.479	FELHWEPLTOEDHP-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-061423
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CC(c1nc2c(s1)CCCC2)NCc1nnc2n1CCCCC2	EMOLS-id_318704526,MCULE-9023649559	331.479	VUJRPJIIEXCLBQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061426
CCc1sc2c(n1)CCCC2NCc1nnc2n1CCCCC2	EMOLS-id_318055801,MCULE-5168883874	331.479	RZLTYIBFEKSTFH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061427
CCC(c1nnc2n1CCCCC2)NCc1csc(n1)C1CC1	EMOLS-id_318033507	331.479	KBTOFCXGFZFEHU-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-061428
O(C(=O)n1c2CCCCCCC(=CCCC)c2cc1C)C(C)(C)C	PC-id_11348123	331.492	SGCQQTKNAYYHFF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061429
Cc1c2-c(c(cc2C=C2CC=C(C=C2)N(C)C)C)cc(cc1)C(C)C	PC-id_136836146	331.494	ILXIJCSSNUPVLW-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-061430
CC(c1ccc(c2-c(c1)c(C)cc2Cc1ccc(cc1)N(C)C)C)C	PC-id_101229411	331.494	APQVQMQSQIUEIV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061431
CC(C)(C)c1ccc(CN2CCSc3sccc3C2=O)cc1	ZINC22_1403632,EMOLS-id_27503836,PC-id_1488880	331.495	HQEDUFWVXBEZIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061432
O=C(c1cc2c(s1)CCCCC2)N1CCC[C@@H]1c1cccs1	CoCoCo_4088259,ZINC22_29797148,PC-id_37041534	331.495	LXQXGOFXFBRWGG-CQSZACIVSA-N	00000010100100000100100000000010000000000000000000000000	31-01-061433
O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H]1c1cccs1	CoCoCo_4088260,ZINC22_29797149,PC-id_37041535	331.495	LXQXGOFXFBRWGG-AWEZNQCLSA-N	00000010100100000100100000000010000000000000000000000000	31-01-061434
O=C(N1CCCC1c1cccs1)c1cc2c(s1)CCCCC2	PC-id_45850118,EMOLS-id_24474603,MCULE-1564866719	331.495	LXQXGOFXFBRWGG-UHFFFAOYSA-N	00000010100100000100100000000010000000000000000000000000	31-01-061435
s1c2c(CCCCC2)cc1C(=O)N1C(CCC1)c1ccsc1	PC-id_75881564	331.495	PELWRWBGRLJBBO-UHFFFAOYSA-N	00000010100100000100100000000010000000000000000000000000	31-01-061436
s1c2c(CCCCC2)cc1C(=O)N1[C@@H](CCC1)c1ccsc1	PC-id_52609742	331.495	PELWRWBGRLJBBO-HNNXBMFYSA-N	00000010100100000100100000000010000000000000000000000000	31-01-061437
C1CCC(CN2CCN(Cc3nnc4n3CCCCC4)CC2)CC1	PC-id_45867757,ZINC22_40049401,EMOLS-id_30245110,MCULE-9340938090	331.499	FCXQIFYXIJYRAN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061439
CC(C1CC(CN1Cc1nnc2n1CCCCC2)N1CCCC1)C	MCULE-2693027477,EMOLS-id_320175699	331.499	SIQBJYVTUWEULR-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-061440
CC(N1C2CCC1CC(C2)NCCc1nnc2n1CCCCC2)C	EMOLS-id_319630564	331.499	QBBNSUJZSZKIEP-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-061441
CSc1ccc(cc1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7283522,PC-id_19985843	331.499	CVCMKGUHDDITBM-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061442
CSCCC[N@H+]1CCc2n(CC1)c(nn2)CCc1ccccc1	GD-id_ZINC11788117	331.499	JZWBUAHTKHQSAV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-061443
s1c2CCN(CCc2nc1N)CC=Cc1ccc(SC)cc1	PC-id_53741785	331.499	CVCMKGUHDDITBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061444
S=c1n2CCCCCc2nn1C[NH+](Cc1c(cc(cc1)C)C)C	PC-id_9280011	331.499	QDDAIUAEQQOLFK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-061445
c1(C#N)c2CCCCCc2sc1N=CN(CC(C)C)CC(C)C	ChEMBL-DNDi_CHEMBL1580681,MCULE-4213348875,PC-id_4435446	331.519	NEPJPYLPBJZQEA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061446
c1(C#N)c2CCCCCc2sc1N=CN(CCCC)CCCC	PC-id_3724034,MCULE-3661517231	331.519	LNMCDHPMAMDGOL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061447
CCCCN(CCCC)/C=N/c1sc2CCCCCc2c1C#N	CoCoCo_1767836,ChEMBL-DNDi_CHEMBL4072-2697,EMOLS-id_26267618,STOCK2S-25269,ZINC22_4132145,PC-id_9632846	331.519	LNMCDHPMAMDGOL-RCCKNPSSSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061448
CC(C)CN(CC(C)C)/C=N/c1sc2CCCCCc2c1C#N	PC-id_9670583,STOCK2S-47163,EMOLS-id_1119478,ZINC22_17967093	331.519	NEPJPYLPBJZQEA-FYJGNVAPSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061449
CCCCN(/C=Nc1sc2c(c1C#N)CCCCC2)CCCC	CoCoCo_1767837	331.519	LNMCDHPMAMDGOL-QNGOZBTKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061450
N#Cc1ccc(cc1Cl)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102027451	331.76	RSNLDOSYTBALDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061451
O=C(N1CCCn2c(C1)cnn2)Nc1ccc(c2c1[nH]nc2)Cl	EMOLS-id_319392441	331.76	FIUNJSLFTMCKKW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-061452
Clc1ccc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2C)cc1	SCHEMBL11197483,PC-id_20484105	331.793	OYCZOCKPWSGFTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061453
Clc1ccc(C(=O)c2n3c(C(CCCC3)C(=O)OC)cc2)cc1	SCHEMBL11196824,PC-id_20483944	331.793	OJVFWBYGZSZIEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061454
Clc1cc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2C)ccc1	PC-id_20484164,SCHEMBL11198731	331.793	ONAJDHXPLLUGLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061455
Clc1cc(C(=O)c2n3c(C(CCCC3)C(=O)OC)cc2)ccc1	SCHEMBL11200524,PC-id_20483827	331.793	IAFQYVKYRXYPCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061456
Clc1c(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2C)cccc1	SCHEMBL11195409,PC-id_20483859	331.793	RLNQAJDQDMNUBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061457
Clc1c(C(=O)c2n3c(C(CCCC3)C(=O)OC)cc2)cccc1	SCHEMBL11203652,PC-id_20484076	331.793	PQCPZXZAEDNHFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061458
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1COc2c1cc(Cl)cc2	EMOLS-id_319794996	331.797	XBOCWWMOTXVFMX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-061459
Clc1ccc(C(=N)n2nc(c3CCCCCc23)C(=O)OC)cc1	NSC625843,CoCoCo_5683685,CoCoCo_5683686,PC-id_362239	331.797	RVXVIZCGOIGECA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061460
NCc1ccc(cc1Cl)C(=O)N1CC(=C)Nc2c(C1)cnn2C	PC-id_143188873	331.8	ITIIALMROBOUPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061461
Clc1cc(NCc2nnc3n2CCCCC3)nc2c1cnn2C	EMOLS-id_319580061	331.803	WHPHAQQLWFOZCM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-061462
c1(NC(=O)c2cccnc2Cl)sc2c(CCCCC2)c1C#N	PC-id_702597,BAS-02052728,MCULE-2269909478,EMOLS-id_1363107,ZINC22_84696,TIMTEC483551,CoCoCo_228673	331.82	UOZNXXDHMQHJIE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-061463
N#Cc1cc(ccc1Cl)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319824184	331.82	MQHIIKMTQNDHJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061464
N#Cc1ccc(c(c1)C(=O)N1CCCCc2c1sc(n2)C)Cl	EMOLS-id_318912457	331.82	WGOVCNOEWDXZNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061465
Cc1cc(sc1Cl)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99303062	331.838	PJOSUSUZLFBHAU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-061466
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1ccc(cc1)Cl)(C)C	EMOLS-id_318835201	331.84	WVUKSDVKPJAANF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061467
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1cccc(c1)Cl)(C)C	EMOLS-id_319355336	331.84	DAQHGCPWRJKAQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061468
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1ccccc1Cl)(C)C	EMOLS-id_319942409,MCULE-5724778217	331.84	VOEYARBWSLPVAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061469
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccc(c(c1)Cl)C	EMOLS-id_319515076	331.84	SDLBDWTZUTZSSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061470
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Cc1ccccc1Cl)C	EMOLS-id_320200944,MCULE-8498000117	331.84	WYKDAAJWGAFHHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061471
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCc1ccccc1Cl	EMOLS-id_319375414	331.84	HPESAVSKCDMJCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061472
Clc1ccc(cc1)CCNC(=O)Cn1cc2c(n1)CCCCC2	CoCoCo_2192262,PC-id_20892433	331.84	OLHSNAZSKVBSIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061473
Clc1cccc(c1)CNC(=O)Cn1nc2c(c1)CCCCCC2	MCULE-9493688945,CoCoCo_2227296,EMOLS-id_16087303,PC-id_20892479	331.84	ARUSURBBIGOHFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061474
Clc1ccc(s1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945952	331.841	TVCLAEROXRKERV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061475
Clc1ccsc1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101951013	331.841	VRJQAJKIYZZCJR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061476
Clc1ccccc1C1CCCC1NC1CCn2c(CC1)nnn2	MCULE-2087327668,EMOLS-id_102000495	331.843	HYVGUXZMCOABPG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-061477
Clc1ccc(cc1)C1CCCC1NC1CCn2c(CC1)nnn2	MCULE-2128156544,EMOLS-id_318721540	331.843	HQDMSVHKNDJMSX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-061478
CC1=NN=C2N1C(=CC=N[C@H]2CC(=O)CCC(F)(F)F)SC	PC-id_153023216	332.092	VCIMOVTURQGDAO-JTQLQIEISA-N	00000000100000000111000000000010000000000000000000000000	31-01-061479
CC(C1=CC(=NC)C(=P)C=C1)N2CCC3=C(CC2)SC(=N3)N	PC-id_154685838	332.122	RAPCEOOTAYTNPE-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-061480
CC(C)C1=C(C2=CC=CC=CC2=C1C(=O)C3=CC=CC=C3)CC(=O)O	PC-id_153789389	332.141	QDVGJFRRHCCXMT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061482
CCOC(=O)CC1=C(C(=C2C1=CC=CC=C2)C(=O)C3=CC=CC=C3)C	PC-id_154380498	332.141	QMYSUIOBOSMULR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061483
c1cc2-c(c(cc2C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F	PC-id_90327359,SCHEMBL15933618	332.164	ZKVOSFUZIUANMZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-061484
c1cc2-c(c(cc2C(F)(F)F)C(F)(F)F)ccc1C(F)(F)F	SCHEMBL15933619,PC-id_90327360	332.164	PTAHBNRLHOLAHY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-061485
c1ccc2-c(c(c(c2C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1	PC-id_90325342,SCHEMBL15931137	332.164	KUXSSIOYFGGIGF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-061486
CC1(CS(=N)(=O)CC(C2=C1N=NN2CC3=CC=CC=C3)(C)C)C	PC-id_146891584	332.167	SZUADWFQWNPUFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061487
CC1=C(C2=CC=C(C=CC2=C1CC3=CC=CC=C3)C(C)C)CC(=O)O	PC-id_153789383	332.178	UNMZBINBUGTVMQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061488
CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)CCC(C)C	PC-id_147996558	332.181	IWCVBLBVRKQATP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-061489
BrC(CN1c2c(scc2)CCCC1=O)C(=O)OC	PC-id_81098958,EMOLS-id_314679716	332.213	HTAVQSUCQDNWCB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061490
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CCCBr	PC-id_90625429	332.217	QTCHRGXHWIDXTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061491
[Se]1CCC[Se]c2sc(=S)sc12	PC-id_13978975	332.227	ONHISMHCKINZEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061492
Brc1nnc(s1)Sc1nnc2n1CCCCC2	PC-id_64623300,EMOLS-id_40640677	332.243	OCRSMHGSCHXJRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061493
Brc1cc2c(s1)CCN(CC2)C(=O)OC(C)(C)C	PC-id_59302551,SCHEMBL3003179	332.257	FIDYYRPHJWTYNB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061494
Brc1sc2c(C(CN(CC2)C(=O)OCC)C)c1C	SCHEMBL1180656,PC-id_66933907	332.257	GDTUFULJMURNRY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061495
Brc1sc2c(C(CN(CC2)C(=O)OCC)(C)C)c1	SCHEMBL1425840,PC-id_58293752	332.257	BPZVLELEADAJMK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061496
Brc1sc2c(C(CN(CC2)C(=O)OCC)CC)c1	SCHEMBL3002080,PC-id_68473021	332.257	OFOVDXVKEPYITC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061497
Brc1sc2c([C@H](CN(CC2)C(=O)OCC)CC)c1	PC-id_68473022,SCHEMBL3002081	332.257	OFOVDXVKEPYITC-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-061498
Brc1sc2c([C@@H](CN(CC2)C(=O)OCC)CC)c1	SCHEMBL3002084,PC-id_68473024	332.257	OFOVDXVKEPYITC-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061499
Brc1sc2CC(N(CCc2c1)C(=O)OCC)CC	PC-id_58293804,SCHEMBL1425872	332.257	LWSSXOZBYRFFED-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061500
CC(C)(C)OC(=O)N1CCCc2sc(Br)cc2C1	MCULE-6883488148,EMOLS-id_316156802	332.257	NICKSXKGRYQRJX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061501
OC(=O)N1CCc2c(CC1)sc(c2C(C)(C)C)Br	SCHEMBL19638189	332.257	JRIHHXAENVSOFT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061502
[Na+].c12c(n(cn1)CC#Cc1cc(C(=O)[O-])ccc1)NC=NCC2O	CHEMBL285253	332.289	LLHPUCRVXXKWMP-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-061503
Fc1cc(F)c(cc1S(=O)(=O)N1CCCn2c(C1)cnn2)F	EMOLS-id_316707326	332.302	QNWDYMIKYUNBHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061504
Fc1c(F)cc(cc1F)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316710397	332.302	CLBQQOXSQRITLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061505
BrCC(CCC)CSc1n2CCCCCc2nn1	PC-id_65010884,EMOLS-id_315207498	332.303	YCHCRQBJFQICRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061506
BrCC(C(C)C)CSc1n2CCCCCc2nn1	PC-id_65011774,EMOLS-id_314601941	332.303	NBINNNZYDKOBJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061507
BrCCC(CCSc1n2CCCCCc2nn1)C	EMOLS-id_314746950,PC-id_65652407	332.303	VBMRKRVZMUMNGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061508
O=C(NC1(OCCO1)C(F)F)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_319502792	332.303	XKQDPVPZROXUCJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-061509
c1(C(=O)OC)cc(OC)c2-c1ccc(c(c2)C(=O)OC)C(=O)OC	7102541_OpenMolecule,PC-id_11404790,CT-id_7102541	332.305	NNIGSHJRIONGPU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-061510
C1Cn2cc(nc2OCCN1C(=O)COc1ccccc1)[N+](=O)[O-]	PC-id_89580415,SCHEMBL14966119	332.311	SQFYNWVTZTWGIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061511
C1Cn2cc(nc2OCCN1C(=O)OCc1ccccc1)[N+](=O)[O-]	PC-id_89580491,SCHEMBL14966218	332.311	CLYZPJQJIATTGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061512
C1Cn2cc(nc2OC(CN1C(=O)O)Cc1ccccc1)[N+](=O)[O-]	PC-id_89580515	332.311	ZFXWPKSWZLOHJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061513
O1CCN(CCn2c1nc([N+](=O)[O-])c2)Cc1ccc(cc1)C(=O)O	SCHEMBL14965407,PC-id_71569319	332.311	HLOSRSILIUJZGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061514
Clc1sc(Cl)cc1C(N)c1sc2c(CCCCC2)c1	PC-id_43464808	332.312	VAWYHLAZEVROQJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-061515
CC1OCc2c(C1)c(n[nH]2)C(=O)N[C@H]1COc2c(NC1=O)cn[nH]2	SCHEMBL18372603	332.315	VZQIJFGCDMVRNY-TYICEKJOSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061516
O=C(c1nc2n(n1)CCN(CC2)C(=O)O)N1CCc2c(C1)n[nH]n2	PC-id_118394570,SCHEMBL17113010	332.318	ZAGQLZNWCDCLCN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061517
O=C(c1noc2c1CCCCC2)N1CCCC1C(C(F)(F)F)O	EMOLS-id_111934480	332.318	VZTCKRPTSDKOSB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-061518
O=C(c1noc2c1CCCCC2)N1CCCC(C1)(O)C(F)(F)F	EMOLS-id_111931171	332.318	LRJGAHMDNWENBJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061519
O=C(c1noc2c1CCCCC2)N1CCC(CC1)(O)C(F)(F)F	EMOLS-id_111935431	332.318	ICARIJWPQOCOCO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061520
O=C(c1noc2c1CCCCC2)N[C@H]1CCOC[C@H]1C(F)(F)F	EMOLS-id_319685621	332.318	OIRAGSAKLHYKKR-MNOVXSKESA-N	00000000100010000101000000000010000000000000000000000000	31-01-061521
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(NC(=O)C(F)(F)F)(C)C	EMOLS-id_316959858,MCULE-1638121241	332.321	UREGCQGWXCRNLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061522
C[C@@H]1Cc2n[nH]cc2CN(C(=O)C(C)(C)NC(=O)C(F)(F)F)C1	ZINC22_952994741	332.321	UREGCQGWXCRNLP-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061523
C[C@H]1Cc2n[nH]cc2CN(C(=O)C(C)(C)NC(=O)C(F)(F)F)C1	ZINC22_952994744	332.321	UREGCQGWXCRNLP-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061524
FC(F)(F)c1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1	CoCoCo_3456323,PC-id_6017104	332.323	VQLPTXYTGCHOEL-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061525
FC(F)(F)c1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1	MCULE-1823118895,PC-id_4129595	332.323	VQLPTXYTGCHOEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061526
FC(F)(F)c1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1	PC-id_5076302	332.323	NTJLIFODIPFUJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061527
FC(F)(F)c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1	PC-id_6263938	332.323	NTJLIFODIPFUJX-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061528
FC(F)(F)c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_78650309	332.323	UMDDZHBCIMLOHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061529
FC(F)(F)c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_8275286	332.323	UMDDZHBCIMLOHZ-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061530
N#C/C(=C/c1ccccc1C(F)(F)F)/c1nnc2n1CCCCC2	CoCoCo_3456324	332.323	VQLPTXYTGCHOEL-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061531
O=C(C1CCn2c(CC1)nnn2)NC1CC(C1)NCC(F)(F)F	MCULE-9736104772,EMOLS-id_320223563	332.325	MZTBVYDPXBAOSO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-061532
O=C(N1CCC(CC1)C(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102164905	332.325	KJQOJTCNAJATPP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061533
OC(=O)Cc1ccc(cc1F)NC(=O)c1noc2c1CCCCC2	EMOLS-id_72915351,PC-id_122109706,MCULE-1324646202	332.326	KZPKSIBXNXVLJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061534
s1c(c2OCC(COc2c1C(=O)OC)(CO)CO)C(=O)OC	PC-id_60127763	332.326	JJCPIGNMKQLRPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061535
CN1CCCn2nc(C(=O)NCc3ccc(F)cc3)c(O)c2C1=O	PC-id_54733961,CHEMBL269979	332.33	JLLHPIPMXRWOPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061536
COC(=O)c1cc(ccc1F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_257960497,MCULE-8192625928	332.33	GZNFCKNNAOUMPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061537
Fc1c(cc(CCn2c3NC=NCC(O)c3nc2)cc1)C(=O)OC	PC-id_10854011	332.33	UPQBVHRJBYILQR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-061538
Fc1cc(CCn2c3NC=NCC(O)c3nc2)c(cc1)C(=O)OC	PC-id_10830392	332.33	DLRRJUTYKKHDLZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-061539
O=C(O)c1c(F)cccc1CCCn1cnc2c1NC=NCC2O	BindingDB_PC-id_10640304,PC-id_10640304,CHEMBL39694	332.33	KJCXATQRJJMJRL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-061540
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccccc1[N+](=O)[O-]	PC-id_90625356	332.334	FISLVLYDXGRMPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061541
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(ccc1)[N+](=O)[O-]	PC-id_90625357	332.334	RSVPUKRZYYSHIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061542
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_90625358	332.334	UFARWNXSNTZEEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061543
O=C(c1noc2c1CCCCC2)NC1CC1c1c(F)cccc1F	EMOLS-id_303356127	332.345	YERFMPJTPNXPCM-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-061544
O=C(c1noc2c1CCCCC2)N[C@@H]1C[C@H]1c1c(F)cccc1F	EMOLS-id_100970500	332.345	YERFMPJTPNXPCM-BXUZGUMPSA-N	00100000100000110101100000000010000000000000000000000000	31-01-061545
CCOC(=O)c1c2-c(c(c1OC)C(=O)OCC)ccc(cc2)OC	PC-id_101063452	332.348	DCJMUAWBSWCDFY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-061546
Cc1cc2c(s1)C(=CCC=N2)OC1=CCC=C(C=C1F)[N+](=O)[O-]	PC-id_143768558	332.349	RXAYARBDANWYMQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-061547
O(C(=O)c1c2-c(c(c1C=Cc1ccccc1)C(=O)O)ccccc2)C	PC-id_86004781	332.349	KHAMTKCMYCXZEM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061548
CCOC(=O)c1ccc(CNC(=O)c2noc3c2CCCCC3)o1	MCULE-6534775645,PC-id_86803163,ZINC22_170602328,EMOLS-id_49966700	332.351	ZDSOWNIVRRDVFS-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061549
CN(C(=O)c1noc2c1CCCCC2)Cc1cc(c(o1)C)C(=O)O	EMOLS-id_57606129,MCULE-2673182946,PC-id_120522964	332.351	FQWWODKNZZVKSV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061550
c12CN(CCCn1nc(CNC(=O)c1ccc(CO)o1)c2)C(=O)C	MCULE-7720512608,ZINC22_82115620,EMOLS-id_44437377,PC-id_70744092	332.354	OUOLVQKYONVXHJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061551
c1(cc(on1)C(C)C)C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	EMOLS-id_32387328,ZINC22_65393859,MCULE-3870121329,PC-id_50958251	332.354	PEGHTPIULCLITC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061552
COc1ccc(C(=O)N2CCc3nn(C)c(=O)n3CC2)c(OC)c1	MCULE-1490800207,EMOLS-id_97099341	332.354	WPTOGLYNUXOKEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061553
COc1cn(nc1C(NC(=O)c1coc2c1C(=O)NCCC2)C)C	EMOLS-id_319307957	332.354	GYRUFUJUMMSWFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061554
COc1coc(cc1=O)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_99858728	332.354	AFIDKAHSALFRRG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061555
O=c1[nH]nc(o1)C1CCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_112013891	332.354	ZPFRTOVOOMQBPT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-061556
O=C(c1ccc(o1)C(=O)O)NCCCc1nnc2n1CCCCC2	MCULE-9932038867,PC-id_120229847,EMOLS-id_53697557	332.354	QRYKTYVSBMBQNA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061557
O=C(c1noc2c1CCCCC2)NC1(CCOCC1)c1ncon1	EMOLS-id_111935716	332.354	WLNBHVXKYCUITH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-061558
O=C(c1noc2c1CCCCC2)Nc1cnn(c1)C(C(=O)O)(C)C	MCULE-9557506536,EMOLS-id_57913296,PC-id_120697550	332.354	XNIDHZXKPUOFMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061559
O=C(c1occ(c1)C(=O)O)NCCCc1nnc2n1CCCCC2	PC-id_120337012	332.354	FIQFOGBVWFYRIH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061560
CC=C(C(=O)c1ncc2n1C=CC(C=C2)C)/C=c
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COC(=O)c1cc2cc(cnc2[nH]1)NCc1cc2-c(ncc2)ccc1	PC-id_91421471	332.356	GBJJLOVIUYZBAC-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-061562
O(C(=O)c1c2-c(nc1Nc1[nH]c3c(n1)cccc3)ccccc2)CC	PC-id_44139183	332.356	MHZXSHCZGMPINP-UHFFFAOYSA-N	00000010100000100111000001000010000000000000000000000000	31-01-061563
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCn1cncn1	PC-id_72912986,EMOLS-id_46079709,ZINC22_91846599,MCULE-7924141441	332.358	HCQICBFRQNAIJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061564
c12CN(CCCn1nc(CNC(=O)c1ccon1)c2)C(=O)N(C)C	MCULE-8158737674,PC-id_70737252,ZINC22_82108841,EMOLS-id_44434935	332.358	MNPUSCLPSLWBFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061565
c1(=O)n(C)c(C(=O)NCc2nnc3CCCCCn23)cc(=O)n1C	EMOLS-id_48441278,ZINC22_95531210,PC-id_72939407,MCULE-6142979277	332.358	FXBRSOORTVNQDH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061566
CC(c1nn2CCCN(Cc2c1)C(=O)Cc1cc(=O)nc([nH]1)N)O	PC-id_91759801	332.358	HBRMNBYTPUQXCF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061567
C[C@H](c1nn2CCCN(Cc2c1)C(=O)Cc1cc(=O)[nH]c(n1)N)O	PC-id_136890743	332.358	HBRMNBYTPUQXCF-SECBINFHSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061568
C[C@@H](c1nn2CCCN(Cc2c1)C(=O)Cc1cc(=O)[nH]c(n1)N)O	PC-id_136890744	332.358	HBRMNBYTPUQXCF-VIFPVBQESA-N	00000000100000100101000000000010000000000000000000000000	31-01-061569
C[C@H](NC(=O)Cn1nc(O)ccc1=O)c1nnc2n1CCCCC2	ZINC22_89913889,PC-id_97089814	332.358	CQOGVCBUAKAPNV-JTQLQIEISA-N	00000000100000100101000000000010000000000000000000000000	31-01-061570
C[C@@H](NC(=O)Cn1nc(O)ccc1=O)c1nnc2n1CCCCC2	ZINC22_89913890,PC-id_97089815	332.358	CQOGVCBUAKAPNV-SNVBAGLBSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061571
CC(=O)C1Cn2cc(nn2)CC(C(=O)CN1)NC(=O)C(CC#C)N	SCHEMBL16574238,PC-id_117958193	332.358	WIELFYZUOLMVEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061572
CN1CC2C(=O)N(C(=O)N2CC1=O)Cc1nnc2n1CCCCC2	EMOLS-id_319704142	332.358	CGKFQQRHNYSHAY-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-061573
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O=C(c1c[nH]c(=O)n(c1=O)C)NCCc1nnc2n1CCCCC2	EMOLS-id_100901853	332.358	RYMREDYAIDDLPX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061575
O=C(NC(c1n2CCCCCc2nn1)C)Cn1[nH]c(=O)ccc1=O	EMOLS-id_45751074,PC-id_71896204,MCULE-2678352452	332.358	CQOGVCBUAKAPNV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061576
O=C(NCCCc1nnc2n1CCCCC2)c1cc([N+](=O)[O-])c[nH]1	MCULE-9306199135,EMOLS-id_42961212,PC-id_72045100,ZINC22_75127051	332.358	QLPSHDXWYUYYFU-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-061577
CC(C)(CC=O)C=CC=C(c1c2-c(ccccc2)cc1)C(F)(F)F	PC-id_89145463	332.359	ZJHUGEZYXZCRPG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-061578
O=CCC(/C=C/C=C(/C(F)(F)F)c1ccc2-c1ccccc2)(C)C	SCHEMBL13674402	332.359	ZJHUGEZYXZCRPG-VWMQRDJASA-N	00000010100000000110000000000010000000000000000000000000	31-01-061579
CC(C)NC(=O)C1CN(Cc2ncnn2C1)C(=O)c1ncn(C)n1	EMOLS-id_313722330	332.361	CXTIBEHEQCKLGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061580
CC(C)NC(=O)[C@@H]1CN(C(=O)c2ncn(C)n2)Cc2ncnn2C1	ZINC22_1565549793	332.361	CXTIBEHEQCKLGG-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061581
CC(C)NC(=O)[C@H]1CN(C(=O)c2ncn(C)n2)Cc2ncnn2C1	ZINC22_1614933260	332.361	CXTIBEHEQCKLGG-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-061582
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CCC(C(C(F)(F)F)NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101867598	332.365	XAHKYWAQJBAYHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061587
FC(C1(O)CCCN(CC1)Cc1nnc2n1CCCCC2)(F)F	MCULE-2874468727,EMOLS-id_316015545	332.365	YPGWMIRAJPEZBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061588
O[C@@]1(C(F)(F)F)CCCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_367589130	332.365	YPGWMIRAJPEZBY-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061589
O[C@]1(C(F)(F)F)CCCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_367589131	332.365	YPGWMIRAJPEZBY-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061590
c1(NC(=O)c2c(cccc2F)F)sc2c(CCCCC2)c1C#N	TIMTEC101988,MCULE-5842341911,EMOLS-id_2041366,PC-id_1245186,CoCoCo_540712,ZINC22_1053548	332.368	CLKOMJJEAFDXEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061591
c1(NC(=O)c2cc(F)ccc2F)sc2c(CCCCC2)c1C#N	TIMTEC583206,EMOLS-id_8851049,MCULE-5055421213,ZINC22_2752142,PC-id_4767093	332.368	YWIBEJHGEDLCAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061592
CCNC(=NCc1nnc2n1CCCCC2)NCCC(F)(F)F	PC-id_109473101	332.368	NHYRUTBLXOGUIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061593
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COCc1nnc2CC(C)N(CCn12)C(=O)Cc1cccc(F)c1	EMOLS-id_313825066	332.373	TXMXNZGDQZPKIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061606
COCc1nnc2CC(C)N(CCn12)C(=O)Cc1ccc(F)cc1	EMOLS-id_313827113	332.373	ZFIMTEKIWPJMIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061607
COCc1nnc2n1CCN(C(=O)Cc1ccccc1F)[C@H](C)C2	ZINC22_585098741	332.373	YRBAFTAUIZCLKN-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061608
COCc1nnc2n1CCN(C(=O)Cc1ccccc1F)[C@@H](C)C2	ZINC22_585098742	332.373	YRBAFTAUIZCLKN-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061609
COCc1nnc2n1CCN(C(=O)Cc1cccc(F)c1)[C@H](C)C2	ZINC22_585098307	332.373	TXMXNZGDQZPKIJ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061610
COCc1nnc2n1CCN(C(=O)Cc1cccc(F)c1)[C@@H](C)C2	ZINC22_585098314	332.373	TXMXNZGDQZPKIJ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061611
COCc1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)[C@H](C)C2	ZINC22_585098755	332.373	ZFIMTEKIWPJMIL-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061612
COCc1nnc2n1CCN(C(=O)Cc1ccc(F)cc1)[C@@H](C)C2	ZINC22_585098756	332.373	ZFIMTEKIWPJMIL-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061613
Fc1cccc(c1)C(C(NC(=O)C1CCn2c(CC1)nnc2)C)O	EMOLS-id_316688074	332.373	DSPADAPHAFIASN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061614
Fc1ccc(cc1)C(C(NC(=O)C1CCn2c(CC1)nnc2)C)O	EMOLS-id_316701879	332.373	CLYNOHWCIRJTOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061615
Fc1ccc(OC(C(=O)NCc2n3CCCCCc3nn2)C)cc1	PC-id_51266315	332.373	XTTBCPSGIKBNNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061616
Fc1ccc(OCC(=O)NC(c2n3CCCCCc3nn2)C)cc1	PC-id_53514618,EMOLS-id_35699508,MCULE-2348935558	332.373	YTKOSMSRJGJVPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061617
Fc1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1OC	PC-id_51304508	332.373	TUPKJMFOWDMLNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061618
Fc1c(OCC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_60389676	332.373	MWWPXKOQVUMKMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061619
F/C(=C(/c1c2n(CCCCC(=O)C2)c(c1)C(=O)N=C(N)N)C)/C=C	PC-id_59964862	332.373	VNBGBVLWUHURSH-JLHYYAGUSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061620
FC(=C(c1c2n(CCCCC(=O)C2)c(c1)C(=O)N=C(N)N)C)C=C	PC-id_72608589	332.373	VNBGBVLWUHURSH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061621
n12CCN(CCc1nn(CC1CC1)c2=O)Cc1ccc(c(F)c1)O	EMOLS-id_97031225,MCULE-7614013067	332.373	SMTSGYJAQWFVOY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-061622
OC(Cc1cccc(c1)F)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319270541	332.373	ORQLPIZRIPQCOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061623
COc1cc(ccc1C(=O)N1CCCCc2c1ccs2)[N+](=O)[O-]	PC-id_139750453	332.374	PSUSTAUDXVTNDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061624
COc1cc(ccc1[N+](=O)[O-])C(=O)N1CCCCc2c1ccs2	PC-id_101942642	332.374	LLSMWOWQOMIIOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061625
OC(=O)c1nc2CCCCN(C(=O)OCc3ccccc3)c2s1	EMOLS-id_331005711	332.374	HERUVGQJMGXZSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061626
Cc1cnnn1Cc1ncn2c1CN(C(=O)C1(F)CCC1)CCC2	EMOLS-id_313731549,ZINC22_1565551451	332.376	QUQOXZVBMYRWNF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-061627
CN(C)Cc1nnn2c1CN(C(=O)Cc1ccc(F)cn1)CCC2	ZINC22_1565542802,EMOLS-id_313732827	332.376	UEBLAXLEGVZHGF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061628
Fc1ccc(c(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)N(C)C	MCULE-1310467542,EMOLS-id_320198130	332.376	MTXZMHNGBPVJIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061629
C1CN(Cc2c1scc2)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135110919	332.378	TXYBCWWADUWEGU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061630
c1(C(=O)Nc2sc3C(=O)NCCCc3n2)c2CCCCc2on1	ZINC22_96124407,MCULE-2493406167,EMOLS-id_48619062,PC-id_72720017	332.378	BGUFKQTYBFQVIF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061631
CCOc1c(cccn1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625497	332.378	QLVXMVSYEKMWFU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061632
CC(=O)c1ccc(Sc2nnc3n2CCCCC3)c([N+](=O)[O-])c1	PC-id_51074543,MCULE-6557043309,ZINC22_58381747,EMOLS-id_33300843	332.378	PWFUOULIPPJKTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061633
CCOc1ncc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625514	332.378	UVLVGSDUQFJXAR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061634
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1cncn1C	SCHEMBL1770712,PC-id_58256693	332.378	PVQUDDHGTCYLEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061635
COc1ccc(cc1)CNc1nc2c(s1)C(=O)N(CC(=O)N2)C	PC-id_142739041	332.378	WWQRVTIKSXOZBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061636
COc1cccc(c1)NC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625538	332.378	ZDUNGXOSQLMJSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061637
COc1ccccc1NC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625539	332.378	CEXIASZGTISHBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061638
COc1ccc(cc1)NC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625540	332.378	YABOBEAOTZDBNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061639
n12CCCCCc1nnc2SCC(=O)c1ccc(cc1)N(=O)=O	CoCoCo_5902014,ZINC22_26509007,MCULE-6121120666,PC-id_33779998,EMOLS-id_31469780	332.378	WJCJICIGZVYIHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061640
n1c(SCC(=O)c2ccc(N(=O)=O)cc2)nn2CCCCCc12	PC-id_4186299,ZINC22_5894146,CoCoCo_5900356,MCULE-1833186089,CoCoCo_5900357	332.378	MEHMWHMYPCRPQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061641
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccc(cc1)[N+](=O)[O-]	CoCoCo_5902017,CoCoCo_5902016	332.378	GXNRVHAZWFZOJO-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061642
O/C(=CSc1nnc2n1CCCCC2)/c1ccc(cc1)[N+](=O)[O-]	CoCoCo_5902018,CoCoCo_5902015	332.378	GXNRVHAZWFZOJO-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061643
O[C@H]1C[NH+]=CNc2c1ncn2CCSc1ccccc1C(=O)[O-]	GD-id_ZINC13807518	332.378	FWRANEOZSDJVGT-NSHDSACASA-N	00000000100000110111000000000010000000000000000000000000	31-01-061644
O=C(O)c1ccccc1SCCn1cnc2c1NC=NCC2O	CHEMBL1208518,PC-id_10522064	332.378	FWRANEOZSDJVGT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-061645
s1c2CCCCCc2cc1C(=O)NNC(=O)C1N=NC(=O)C=C1	PC-id_74618877	332.378	VLQOXSBCWPJWMY-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-061646
s1c2CCCCCc2cc1C(=O)NNC(=O)c1n[nH]c(=O)cc1	PC-id_31845053	332.378	UPLRBXZGIQTPSB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061647
s1c(c(CCCn2c3NC=NCC(=O)c3nc2)cc1)C(=O)OC	PC-id_10735320	332.378	VWGIXFOVBSEZEM-UHFFFAOYSA-N	00000000100100000111000000000010000000000000000000000000	31-01-061648
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cnn2c1cccn2	EMOLS-id_320325638,MCULE-2628542891	332.381	MRNXJNDLMMBVAO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-061649
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cnc2n1nccc2	EMOLS-id_319372325	332.381	CDRMKNNMKPVAHQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-061650
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cnn2c1cccn2	EMOLS-id_318938153	332.381	IOJHTRCDAVONDL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-061651
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1n[nH]c2c1cccn2	EMOLS-id_318841918	332.381	IXNNERLXIAITMF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-061652
N#Cc1ccc(c(c1)C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026737	332.381	VGZDOKNHDQGYOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061653
N#Cc1ccc(cc1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	MCULE-6622762189,EMOLS-id_102028562	332.381	KKBWGHLCMSYXCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061654
N#Cc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102026719	332.381	XTCFQWYWCAIAHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061655
N#Cc1c(C)cccc1S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028493	332.381	DGGDKSGOEVKSKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061656
N#Cc1c(Sc2nnc3n2CCCCC3)n(C)c(=O)n(c1=O)C	EMOLS-id_110800309	332.381	NUOQVSBAPVIMAB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061657
O=C(NC1CC1)c1cnn2c1CN(C(=O)c1csnn1)CCC2	ZINC22_1565548205,EMOLS-id_313762255	332.381	ZQCGTYBMVCHXJO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-061658
Cn1c(nnn1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135549256	332.384	MBCMEBZZRQKCIV-KTKRTIGZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061659
Cn1c(nnn1)SCC(=C(C#N)c1nnc2n1CCCCC2)O	PC-id_136701462	332.384	MBCMEBZZRQKCIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061660
N#C/C(=C
/NN=C2N1CCCCC2)/C(=O)CSc1nnnn1C	CoCoCo_4113306,PC-id_45356223	332.384	JUFMUJVLALLLJQ-FMIVXFBMSA-N	00000011100000000111000000000010000000000000000000000000	31-01-061661
N#C/C(=C/1NN=C2N1CCCCC2)/C(=O)CSc1nnnn1C	PC-id_17547607,CoCoCo_4113307	332.384	JUFMUJVLALLLJQ-XFXZXTDPSA-N	00000011100000000111000000000010000000000000000000000000	31-01-061662
N#CC(=C1NN=C2N1CCCCC2)C(=O)CSc1nnnn1C	PC-id_72067010,MCULE-9881345463,EMOLS-id_26209072	332.384	JUFMUJVLALLLJQ-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-061663
Fc1ccc(c2c1C(NCCc1nnc3n1CCCCC3)CC2)F	EMOLS-id_318169016,MCULE-9104913662	332.391	MMJSIJCTYLKDTE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-061664
Fc1cc(F)c2c(c1)C(NCCc1nnc3n1CCCCC3)CC2	EMOLS-id_318250903,MCULE-2104270486	332.391	HWJYWQKUEMFJFH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-061665
Fc1cc(F)cc(c1)C1CC(C1)NCc1nnc2n1CCCCC2	EMOLS-id_318050284,MCULE-6867582210	332.391	XDOPGMPORRQXBI-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-061666
O(c1c2-c(c(c(=O)o2)C(=O)OCC)cc(C(C)C)cc1)CCCC	PC-id_10382097	332.391	GCWIXHDXHQIPFQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-061667
c1(NC(=O)c2ccccc2F)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_1491093,PC-id_1087116,ZINC22_804958,MCULE-3048578744,TIMTEC335216,BAS-07004933,CoCoCo_359761	332.392	NLOGKRTVOMQPGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061668
c1(NC(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)N	PC-id_903520,CoCoCo_359763,BAS-07004941,SPECS-id_AK-968/12346431,EMOLS-id_1491097,TIMTEC338222,MCULE-2300822021,ZINC22_483743	332.392	NOZRSXPVSJNFRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061669
c1(NC(=O)c2cccc(F)c2)sc2c(CCCCC2)c1C(=O)N	MCULE-1519123516,CoCoCo_359762,ZINC22_804960,EMOLS-id_1491095,SPECS-id_AN-153/I178204,PC-id_1087117,SPECS-id_AP-970/42446102,BAS-07004937	332.392	JLLZYTXVXYNUHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061670
Cc1cc(F)ccc1NC(=O)CN1C(=O)CCCc2sccc12	PC-id_53607548,ZINC22_69811601	332.392	OOZHRTXAWWKEMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061671
Fc1ccc2c(c1)CC(O2)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320018273,MCULE-3681764350	332.392	PWRMAGVDCVQVBB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-061672
O(CC(=O)c1c2-c(c(c1)CC)ccccc2)c1c(cc(cc1)C)C=O	PC-id_11782532	332.392	PSTDDDHMHAKKRM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061673
O(CC(=O)c1c2-c(c(c1)CC)ccccc2)c1c(cccc1C=O)C	PC-id_11823769	332.392	IBIIXRQZZSJOHF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061674
OC(=O)c1c2-c(c(c1C)C(=O)c1ccccc1)ccc(cc2)C(C)C	PC-id_139771660	332.392	LJKJZGVXONJDDY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061675
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(F)cc1	PC-id_7946141	332.392	LSQLXULQRYHHOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061676
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(F)cccc1	PC-id_9301141	332.392	YBJVABMGHWFNPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061677
s1c2CCCC(C(=NNc3ccc(F)cc3)c2cc1)CC(=O)O	PC-id_10544558	332.392	AJLZABBIVVDEDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061678
CCN(CC)CCN=c1ccccc2c1oc(c2C(=O)OCC)O	PC-id_135433931	332.394	MNJPQWFGOBRSPT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-061679
o1c2-c(ccccc2NCCN(CC)CC)c(c1=O)C(=O)OCC	PC-id_10404515	332.394	ISQVBPRHTIEYQU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-061680
O=C1CCCC1C1COCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_101044597	332.394	ZLLNKJLPDLSQIU-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-061681
OC[C@]12C[C@H]1CCCN2C(=O)c1coc2c1C(=O)NCC(C2)(C)C	EMOLS-id_319746386	332.394	LEKFVKMMHMWKDM-ADLMAVQZSA-N	00100000100010000100010000000010000000000000000000000000	31-01-061682
OC(=O)C1CC2C(N1C(=O)c1noc3c1CCCCC3)CCCC2	PC-id_120513155	332.394	HNURGTGZHVFTPF-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-061683
Cc1c(C(=O)N2CCCc3occc3C2)cccc1c1ccccn1	EMOLS-id_316863424,MCULE-1095481784,ZINC22_346514056	332.396	ZWQPRSLKZPJXPR-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-061684
CCNC(=O)c1cccc(c1)NC(=O)Cc1ccc2-c1ccccc2	PC-id_139996497	332.396	RXCORSZTKASKAI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061685
CNC(=O)c1ccc(c(c1)NC(=O)Cc1ccc2-c1ccccc2)C	PC-id_139996500	332.396	WESAYFMBJPNYJG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061686
CNC(=O)c1cccc(c1)NC(=O)Cc1cc(c2-c1ccccc2)C	PC-id_139996504	332.396	LFFBTXSNLYKNBE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061687
CNC(=O)c1cccc(c1)NC(=O)Cc1ccc2-c1ccc(cc2)C	PC-id_139996506	332.396	YXHLIAINLRLTOX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061688
CNC(=O)c1cccc(c1)NC(=O)CCc1ccc2-c1ccccc2	PC-id_139996507	332.396	JBZKRMPSVWAFAF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061689
O=C1NCCC(O)c2ccn(Cc3ccc(c4ccccc4)cc3)c12	CHEMBL1796975,PC-id_46946012	332.396	PVSUHXNHZFQJQR-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-061690
O=C(Cc1ccc2-c1ccccc2)Nc1cccc(c1)C(=O)N(C)C	PC-id_139996492	332.396	MTQGDZPDTSDCHS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061691
C1CCC(CC1)C1(CC1)NC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135091121	332.397	FBSCEMWKJRRABZ-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-061692
c1(ccoc1C)C(=O)N1CCCn2c(cc(n2)C(O)CN(C)C)C1	PC-id_91793226,MCULE-1908748548,EMOLS-id_55698311	332.397	XVKKFYIRRGXPDT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061693
CC1CC=c2c(=CC(=C1)NCC(=O)N1CCNCC1C)oc(=O)[nH]2	PC-id_89072782	332.397	CAKFZJUEAPILLY-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-061694
CC1CC=c2[nH]c(=O)oc2=CC(=C1)NCC(=O)N1CCNC[C@H]1C	PC-id_70891501,SCHEMBL13367816	332.397	CAKFZJUEAPILLY-PIJUOVFKSA-N	00000000100010000111000000000010000000000000000000000000	31-01-061695
Cc1cc(c(n1C)C)C(=O)N1CCCn2c(cc(n2)C(CO)O)C1	EMOLS-id_50539893,PC-id_90651180,MCULE-8246556267	332.397	SYWUPSTWZOUTQP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-061696
Cc1cc(C(=O)N2CCCn3nc([C@H](O)CO)cc3C2)c(C)n1C	PC-id_100065736,ZINC22_221178555	332.397	SYWUPSTWZOUTQP-MRXNPFEDSA-N	00000000110000000101000000000010000000000000000000000000	31-01-061697
Cc1cc(C(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)c(C)n1C	PC-id_100065737,ZINC22_221178613	332.397	SYWUPSTWZOUTQP-INIZCTEOSA-N	00000000110000000101000000000010000000000000000000000000	31-01-061698
Cc1c[nH]c(CN2CCCn3nc(cc3C2)C(O)CO)c(C)c1=O	PC-id_91781707,MCULE-3776650480,EMOLS-id_55664779	332.397	DJEJROOVDRJCFX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061699
Cc1occc1C(=O)N1CCCn2nc([C@H](O)CN(C)C)cc2C1	PC-id_100252630,ZINC22_223447977	332.397	XVKKFYIRRGXPDT-MRXNPFEDSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061700
Cc1occc1C(=O)N1CCCn2nc([C@@H](O)CN(C)C)cc2C1	ZINC22_223447914,PC-id_100252620	332.397	XVKKFYIRRGXPDT-INIZCTEOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061701
CC(c1onc(n1)C(C)(C)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101015433	332.397	PPDUGGCGPSMMLI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061702
CCCC1N(CCCn2c1ncc2)C(=O)c1noc(c1COC)C	MCULE-2047006349,EMOLS-id_55717268	332.397	DTNJOKFOCOFHLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061703
CCN(C)C(=O)c1cnn2c1CN(C(=O)[C@@H]1[C@H]3COC[C@@H]13)CCC2	EMOLS-id_313769665,ZINC22_1565550483	332.397	BKOBOHJDUNTEOS-NHAGDIPZSA-N	00100010100000000101010000000010000000000000000000000000	31-01-061704
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CN(C)C(=O)COCC1CN(Cc2ccco2)Cc2nccn2C1	EMOLS-id_46148473	332.397	YLSMMWIXFSNIDI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061707
CN(C)C(=O)COCC1CN(Cc2ccoc2)Cc2ccnn2C1	EMOLS-id_44326985	332.397	BTPIQTJGFHGJKB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061708
CN(C)C(=O)COCC1CN(Cc2ccoc2)Cc2nccn2C1	EMOLS-id_44325903	332.397	DTQDGESDXUBQSF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061709
CN(C)C(=O)COC[C@H]1CN(Cc2ccco2)Cc2nccn2C1	PC-id_97381776,ZINC22_96059123	332.397	YLSMMWIXFSNIDI-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061710
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CN(C)C(=O)COC[C@@H]1CN(Cc2ccoc2)Cc2ccnn2C1	PC-id_97463476,ZINC22_96189059	332.397	BTPIQTJGFHGJKB-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061712
CN(C)C(=O)COC[C@H]1CN(Cc2ccoc2)Cc2ccnn2C1	ZINC22_96189058,PC-id_97463475	332.397	BTPIQTJGFHGJKB-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061713
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CN(C)C(=O)COC[C@@H]1CN(Cc2ccoc2)Cc2nccn2C1	ZINC22_96187871,PC-id_97462322	332.397	DTQDGESDXUBQSF-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061715
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COCCNC(=O)[C@H]1CN(Cc2ccc(C)o2)Cc2ccnn2C1	PC-id_97463220,ZINC22_96188789	332.397	GULIZPIOAKUDJT-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061718
COCCNC(=O)[C@@H]1CN(Cc2ccc(C)o2)Cc2ccnn2C1	ZINC22_96188788,PC-id_97463219	332.397	GULIZPIOAKUDJT-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061719
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Cc1ccccc1c1ccccc1C(=O)N1CCCn2nncc2C1	PC-id_136565787,MCULE-8618113613,EMOLS-id_316970676,ZINC22_829601192	332.399	CGZCSKBTZMGSIU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-061736
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1c1ccncc1	EMOLS-id_319177302	332.399	RNEUBVFEFNVIQO-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-061738
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(n1)c1ccccc1	EMOLS-id_319782984	332.399	NLFFWFUSXXQXTM-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-061739
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1)c1ccccc1	MCULE-7556146060,EMOLS-id_319908655	332.399	HHYCDAFMQBCMNH-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-061740
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncc(c1)c1ccccc1	EMOLS-id_318855874	332.399	NFIFRQIPRMYVAW-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-061741
C(=O)(Nc1ccccc1c1ccccc1)N1CCCn2cncc2C1	ZINC22_72150415,MCULE-5388544004,PC-id_56894265,EMOLS-id_43107323	332.399	ZVALOKCWZOTODD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-061742
n12CCN(CCc1nnc2)C(=O)Cc1ccc(cc1)c1ccccc1	MCULE-9781738245,EMOLS-id_20434907,PC-id_42372875,ZINC22_12042010,CoCoCo_1179394	332.399	FNVGQXXMEIPCBU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-061743
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o1c(c(C=C(c2n3CCCCCc3nn2)C#N)c2c1cccc2)CC	PC-id_84862637	332.399	HBHRQMSPRGUGOD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-061745
o1c(c(/C=C(/c2n3CCCCCc3nn2)C#N)c2c1cccc2)CC	PC-id_8882002	332.399	HBHRQMSPRGUGOD-WYMLVPIESA-N	00000000100000100101000001000010000000000000000000000000	31-01-061746
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O=C(N[C@@H]1CNCc2ccnn2C1)c1ccc(c2ccccc2)cc1	ZINC22_2325856105	332.399	BDSRELYYEDFWKS-GOSISDBHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-061750
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[O-]N1C(N=Nc2ccc3-c2ccccc3)SC=C1c1ccccc1	PC-id_101332718	332.399	UGPUCQBUNMLVLB-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-061752
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1[nH]cc(C)n1	EMOLS-id_46089405,PC-id_72926379,MCULE-5468146286,ZINC22_91966554	332.401	RPELCFVMRSHDBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061753
Cc1nn(C)c(C)c1CCC(=O)NC1CCc2n[nH]c(=O)n2CC1	PC-id_91910808,EMOLS-id_50586021	332.401	ACLIKNWSFNLYGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061754
Cc1n[nH]c(C)c1CCC(=O)NC1CCc2nn(C)c(=O)n2CC1	EMOLS-id_50586271,PC-id_91922755	332.401	CPVQJKAWQPCZBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061755
Cc1noc(C)c1CN(C)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_35717610,ZINC22_43779825,MCULE-7577798827,PC-id_53499329	332.401	JHYLQGLXSFRRPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061756
Cc1noc(CCCC(=O)N[C@@H](C)c2nnc3n2CCCCC3)n1	PC-id_94112594,ZINC22_46779044	332.401	DGJKYDSFYOTDOO-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-061757
Cc1noc(CCCC(=O)N[C@H](C)c2nnc3n2CCCCC3)n1	ZINC22_46779048,PC-id_94112595	332.401	DGJKYDSFYOTDOO-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061758
CCc1nn(c(c1CNC(=O)C1CCn2c(CC1)nnc2)OC)C	EMOLS-id_319032242	332.401	NHEFCNWTKLKODB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061759
CCc1noc(c1NC(=O)N(Cc1nnc2n1CCCCC2)C)C	MCULE-8959031279,EMOLS-id_320031393	332.401	PETGRSXOIADQDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061760
CCC(c1nn2CCCN(Cc2c1)C(=O)CCCn1cncn1)O	PC-id_91767607	332.401	AKVHGADBONQZCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061761
CCC(c1nnc2n1CCCCC2)NC(=O)c1cn(c(=O)n1C)C	EMOLS-id_316547084	332.401	OZBKEWAGHBJMEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061762
CCC(c1nnc2n1CCCCC2)NC(=O)c1cn(nc1OC)C	EMOLS-id_319765362	332.401	IYYHYGPNQRNWDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061763
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1c(C)noc1C	EMOLS-id_101056573	332.401	DNXMZZCMRWYWOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061764
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)CCCn1cncn1)O	PC-id_100032759	332.401	AKVHGADBONQZCW-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061765
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)CCCn1cncn1)O	PC-id_100032760	332.401	AKVHGADBONQZCW-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061766
CN(c1nc(=O)c2c(c(=O)[nH]1)ncn2CCN1CCCCCC1)C	CoCoCo_1383515	332.401	RDLAVUAAITYMKV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-061767
CN(C)C(=O)CN(C)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135588867	332.401	RKAKPNIFHUDSHV-SEYXRHQNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061768
CN(C(=O)Nc1noc(c1)C(C)C)Cc1nnc2n1CCCCC2	EMOLS-id_318960040	332.401	ZCDNQPFMZQYYOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061769
COCc1cc(CNC(=O)CCc2cc3CNCCCn3n2)n[nH]1	MCULE-6321590678,PC-id_70743742,ZINC22_72430691,EMOLS-id_43125043	332.401	CYOBOERTIJMQIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061770
COCCN1CCc2n(CC1)c(cn2)CNC(=O)c1cnn(c1)C	PC-id_97415883	332.401	HQMZFSCYEDZRBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061771
COCCN1CCc2n(CC1)c(cn2)CNC(=O)c1nccn1C	PC-id_97416029	332.401	NRDGYTIQLUKDTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061772
COCCn1ncc(c1)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319192968	332.401	QPRNKQVWLANHTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061773
COCCNC(=O)C1CN(Cc2cnn(C)c2)Cc2ccnn2C1	EMOLS-id_46128733	332.401	UZDGCSRHXSCMBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061774
COCCNC(=O)[C@@H]1CN(Cc2cnn(C)c2)Cc2ccnn2C1	ZINC22_96044183,PC-id_97367696	332.401	UZDGCSRHXSCMBA-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061775
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NC(=N)C1CCCC(C1)CN1CCCn2c(C1=O)cc(n2)C(=O)N	PC-id_141815024	332.401	WQCSARGNCVIPAB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061778
o1cc(nc1C)CN1CCCn2nc(cc2C1)CNC(=O)N(C)C	PC-id_70711372	332.401	CNLSCWDHPQKJRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061779
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O(/N=c/1c(nc2n(nc(c2nc1C)C)C(C)(C)C)C)C(=O)NCC	PC-id_10758978	332.401	JXEUGFQKGKNXRK-MTJSOVHGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-061785
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s1c2CCCCCCc2cc1C(=O)NNc1nc([O-])c(nn1)C	PC-id_51488317	332.401	XGIRMIIOPHOVQM-UHFFFAOYSA-M	00000000100000100101000000000010000000000000000000000000	31-01-061787
c12CN(CCCn1nc(C#N)c2)Cc1cccc(c1)Cn1cccn1	MCULE-4500017179,EMOLS-id_232889463,ZINC22_826805569	332.402	CUHXMIMQIDQEEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061788
N#Cc1cccc(CN2Cc3nccn3C[C@H](Cn3cccn3)C2)c1	PC-id_97389372,ZINC22_96067048	332.402	DANIIFLFWHOBRI-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061789
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c12-c(ccc1/C=C/C=C/C=C/c1ccc3-c(ccc3)cc1)ccccc2	PC-id_5375737	332.437	RAUVFSGNTBCXAG-UZGYJKJXSA-N	00000010100000000110000000000010000000000000000000000000	31-01-061936
c1(C(CC(C)C)NC(=O)Cn2cncn2)nnc2CCNCCn12	PC-id_56704503,MCULE-3915566704,EMOLS-id_36428368	332.404	NHVVVMNPDMCOMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061793
CC(C)C[C@@H](NC(=O)Cn1cncn1)c1nnc2n1CCNCC2	PC-id_95197313,ZINC22_67643331	332.404	NHVVVMNPDMCOMP-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061794
CC(C)C[C@H](NC(=O)Cn1cncn1)c1nnc2n1CCNCC2	ZINC22_67643329,PC-id_95197312	332.404	NHVVVMNPDMCOMP-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061795
O=C(N1CCCc2c(C1)cnn2C)NCc1nnn(n1)C(C)(C)C	EMOLS-id_318168164	332.404	WJJPJXSAJBJUJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061796
O=C(NC(Cn1ncnc1)C)NCCc1nnc2n1CCCCC2	EMOLS-id_97912637	332.404	CGRWVFNTGIOHAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061797
NC(c1cnc(s1)C(F)(F)F)c1cc2c(s1)CCCCC2	PC-id_106785559	332.408	BMIDZXGAKQTOSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061798
OCCCOCC1(COCCCO)COc2c(OC1)csc2	SCHEMBL198636,PC-id_66619468	332.412	BHBYJNXJFDNKMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061799
OCCOCCOCCOCC1(C)COc2c(OC1)csc2	PC-id_69574262,SCHEMBL5806869	332.412	PCYCSLLBNQZZME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061800
s1c2CCCCCc2cc1C(=O)Oc1c(OC)cccc1OC	PC-id_7934798	332.414	ZSFYAFHWZFRECK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061801
COc1ccc(c(c1)F)C(NCCc1nnc2n1CCCCC2)C	EMOLS-id_318349327	332.416	XHDXVWMRIGUXKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061802
C1(C(=O)Nc2sc3c(CCCCC3)c2C#N)C(C1(C)C)C(=O)O	PC-id_56762639,EMOLS-id_36514661,STOCK7S-22906,MCULE-4483180453	332.417	MBINNKZANNFZCF-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-061803
c1(C(=O)N(C)C)c2CCCCCc2sc1NC(=O)c1ccco1	Chemmine_26617,CK1167137,CHEMBL1573202,MCULE-9175000682,BAS-00486795,ZINC22_3100269,CoCoCo_81760,EMOLS-id_1230991,ChEMBL-DNDi_CHEMBL5577076,PC-id_2853983	332.417	RLHASBMVLBWNCQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-061804
c1(NC(=O)c2ccc(C)o2)sc2c(CCCCCC2)c1C(=O)N	SPECS-id_AK-968/12716390,PC-id_896341,TIMTEC586173,EMOLS-id_2195778,MCULE-9585826899,CoCoCo_896345,ZINC22_473778,ChEMBL-DNDi_CHEMBL7227884	332.417	YZOPBVAEJMIPEE-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-061805
c1(NC(=O)c2cc(oc2C)C)sc2c(CCCCC2)c1C(=O)N	PC-id_2167900,EMOLS-id_2043526,MCULE-1771702339,CoCoCo_543411,TIMTEC517020,ZINC22_2759422	332.417	WAKRUXSUYCMSML-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-061806
c1(NC(=O)c2ccoc2C)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_2203134,ZINC22_460516,CoCoCo_6794433,MCULE-7768338028,PC-id_887189,TIMTEC320344	332.417	MVALAAXYDXPFCV-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-061807
c1(NC(=O)COc2ccccc2OC)sc2c(CCCCC2)n1	MCULE-8406323963,EMOLS-id_334605436	332.417	IMEFKWKKYPFYCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061808
c1(NC(=O)C)sc2c(CCCCC2)c1C(=O)NCc1ccco1	MCULE-9252316277,TIMTEC596906,ZINC22_13329451,EMOLS-id_14315703,PC-id_17173498,CoCoCo_6844144	332.417	ZLNSCTOZOQPPMT-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-061809
c1(sc2c(CCCCC2)n1)NC(=O)C(C)Oc1ccc(cc1)O	MCULE-1492903862,EMOLS-id_334605937	332.417	SZUFKYFDSUSSTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061810
CC1(C)[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1C(=O)O	PC-id_95391811,ZINC22_71286912	332.417	MBINNKZANNFZCF-OLZOCXBDSA-N	00100000100000000100000000000010000000000000000000000000	31-01-061811
CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_95391809,ZINC22_71286908	332.417	MBINNKZANNFZCF-CHWSQXEVSA-N	00100000100000000100000000000010000000000000000000000000	31-01-061812
CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_71286906,PC-id_95391808	332.417	MBINNKZANNFZCF-QWHCGFSZSA-N	00100000100000000100000000000010000000000000000000000000	31-01-061813
CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_71286910,PC-id_95391810	332.417	MBINNKZANNFZCF-STQMWFEESA-N	00100000100000000100000000000010000000000000000000000000	31-01-061814
Cc1nc2c(s1)N(CCCC2)C(=O)c1coc2c1C(O)CCC2	EMOLS-id_319032590	332.417	VHQBJLCMTIVEGC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061815
C[NH+](CCN(C(=O)c1noc2c1CCCCC2)Cc1ccco1)C	GD-id_ZINC07000105	332.417	GYFRLIDPBFFMSG-UHFFFAOYSA-O	00000000101000000101000000000010000000000000000000000000	31-01-061816
COc1ccc(cc1C(=O)N1CCCCc2c1sc(n2)C)OC	EMOLS-id_319803904	332.417	COIHDMFEHUHYRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061817
COc1cc(ccc1O)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318855176	332.417	LEBQMCATYBXAKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061818
COc1cc(ccc1OC)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319152705	332.417	SOPQNLJTPVRBLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061819
COc1ccccc1OCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319842814,MCULE-7423038781	332.417	KQZGEOHYZUYBJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061820
COc1ccc(cc1OC)C(=O)Nc1nc2CCCCCc2s1	ZINC22_12742483,CoCoCo_4546075,PC-id_25475794,EMOLS-id_18824202,MCULE-8078502098	332.417	SCAXPEGJZAOOCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061821
COc1cc(C)cc(c1O)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320000093,MCULE-7420761144	332.417	BDNUGMFKKLPPSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061822
COc1cccc(OC)c1C(=O)Nc1nc2CCCCCc2s1	MCULE-7745471498,EMOLS-id_334604145	332.417	TWKALIZLZBIKND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061823
COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)c(OC)c1	CoCoCo_4546059,MCULE-6798290291,EMOLS-id_17165127,PC-id_24233855,ZINC22_12767744	332.417	MANMKYOXRGVQLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061824
COc1cc(CO)ccc1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319660629	332.417	FBPVXNVWXLNDBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061825
COc1cc(C(=O)Nc2sc3c(CCCCC3)n2)cc(OC)c1	CoCoCo_4546060,MCULE-7862895928,EMOLS-id_16738692,PC-id_17521643,ZINC22_12828477	332.417	ORLYBWIXEBMOTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061826
COc1c(OC)cccc1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320333101,MCULE-9456535458	332.417	RYGLOSYTNRVGCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061827
COCOc1ccc(cc1)NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_316717560	332.417	NWVAXTLEIRCNNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061828
N#CC1CCCCC1OC(=O)CN1C(=O)CCCc2c1ccs2	MCULE-8751124396,PC-id_102556640,EMOLS-id_50317547	332.417	GFIMCSGNRQCPCM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061829
N#C[C@H]1CCCC[C@H]1OC(=O)CN1C(=O)CCCc2sccc12	PC-id_99805556,ZINC22_170623083	332.417	GFIMCSGNRQCPCM-TZMCWYRMSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061830
N#C[C@@H]1CCCC[C@H]1OC(=O)CN1C(=O)CCCc2sccc12	PC-id_99805558,ZINC22_170623085	332.417	GFIMCSGNRQCPCM-GXTWGEPZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061831
N#C[C@H]1CCCC[C@@H]1OC(=O)CN1C(=O)CCCc2sccc12	ZINC22_170623084,PC-id_99805557	332.417	GFIMCSGNRQCPCM-OCCSQVGLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061832
N#C[C@@H]1CCCC[C@@H]1OC(=O)CN1C(=O)CCCc2sccc12	ZINC22_170623086,PC-id_99805559	332.417	GFIMCSGNRQCPCM-JSGCOSHPSA-N	00000000100010000100000000000010000000000000000000000000	31-01-061833
OC1CCCc2c1c(co2)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_318957357	332.417	FAZZLLDZZBXVHO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061834
O=C(c1sc(nc1C)C1COCC1)N1CCCc2c(C1)cco2	EMOLS-id_316704798	332.417	HZTOYHNBFSPVLT-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-061835
O=C(CNC(=O)c1cc2c(s1)CCCCC2)NCc1ccco1	ZINC22_7952690,PC-id_9079841,MCULE-1414047004,EMOLS-id_50296376	332.417	HEBKBLUTDQKWJT-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-061836
O=C(N1CCCc2c(C1)ccs2)CCN1C(=O)C(=C(C1=O)C)C	EMOLS-id_278581943	332.417	GJJYJPAINDVNCY-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-061837
O=C(OCc1nnc(C2CC2)o1)c1cc2c(s1)CCCCCC2	EMOLS-id_44551086,ZINC22_63499656,MCULE-7126460701,PC-id_48081339	332.417	WMGRSKDIKUOAOR-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-061838
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(oc(c1)C)C	PC-id_7808974	332.417	NFTLGEHCXGRPMD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-061839
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1occc1	PC-id_24586082	332.417	RRJHLAOJOTULKR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-061840
s1c2c(CCCCC2)c(c1NC(=O)CCc1occc1)C(=O)N	PC-id_60387869	332.417	HSJJHWFHJLIMID-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-061841
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)C1CC1)C)C#N	PC-id_8400967	332.417	AXOMOAKAEFXNGF-JTQLQIEISA-N	00100000100000000100000000000010000000000000000000000000	31-01-061842
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)C1CC1)C)C#N	PC-id_8400968	332.417	AXOMOAKAEFXNGF-SNVBAGLBSA-N	00100000100000000100000000000010000000000000000000000000	31-01-061843
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1C(C1)C)C#N	PC-id_45689598	332.417	FHYJVCXLGQSKJP-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-061844
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C1CC1)C)C#N	PC-id_78686527	332.417	AXOMOAKAEFXNGF-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-061845
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1CCC1)C#N	PC-id_41673112	332.417	LFOGJQHHEPKXQL-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-061846
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=C(C)C)C#N	PC-id_5196856	332.417	ZCDJGWITUFSALZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061847
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(occ1)C	PC-id_17470852	332.417	XKYFEDCZMALITR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-061848
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1occc1C	PC-id_24553569	332.417	STRRDVIBGJWGIY-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-061849
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1oc(cc1)C	PC-id_25443477	332.417	NJZCSQPBFRQJCQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-061850
s1c2CCCCCCc2cc1C(=O)OCC(=O)C(C(=N)C)C#N	PC-id_7618300	332.417	ZUUZNFHVUAXOQO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-061851
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Cc1cc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)n(C)n1	MCULE-3765206887,ZINC22_84101786,EMOLS-id_44498576,PC-id_71939554	332.421	HKWLUYZERSDKHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061856
Cc1ccsc1C(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_50586461,MCULE-5165629551,PC-id_91922440	332.421	XAJFUFPHLXLIBO-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061857
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(s1)C1CCCO1	EMOLS-id_319411826	332.421	APGKLSKWQHLOSP-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-061858
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1csc(n1)C1CCCO1	EMOLS-id_319170101	332.421	UPESPTWCYTVAEK-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-061859
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCNC(=O)c1cccs1	EMOLS-id_318893887	332.421	COMMMGILACHFIN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061860
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCNC(=O)c1cscc1	EMOLS-id_318864470	332.421	RJDHGLIRYRGKSU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061861
Cc1csc(n1)NC(=O)c1nc2c(o1)CCN(CC2)CC1CC1	PC-id_134810610	332.421	FGBRKVMLRVGAJQ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-061862
Cc1nc2c(s1)N(CCCC2)C(=O)c1nn2c(c1)C(O)CCC2	EMOLS-id_318911485	332.421	QVNUDAWBJKELRR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061863
Cc1nc(C)c(CC(=O)Nc2nc3c(s2)CCCCC3)c(=O)[nH]1	CoCoCo_4866729,CoCoCo_4866728,ZINC22_31264670,PC-id_135921274,EMOLS-id_31922514	332.421	JJPDHOYYTWIELF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061864
Cc1nc(C(=O)N2Cc3ccnn3C[C@@H](OCC3CC3)C2)cs1	ZINC22_248044495	332.421	PVDXHJSUQRVRFK-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-061865
Cc1nc(C(=O)N2Cc3ccnn3C[C@H](OCC3CC3)C2)cs1	ZINC22_248044497	332.421	PVDXHJSUQRVRFK-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-061866
Cc1nc(cs1)C(=O)N1CC(Cn2nccc2C1)OCC1CC1	EMOLS-id_50011228	332.421	PVDXHJSUQRVRFK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-061867
Cc1[nH]c(=O)c(nc1C)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98129782	332.421	ADXOCPSHERCZEO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061868
Cc1nn(C)c(=O)c(c1C)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110488441	332.421	PIXYPNJODGLORF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061869
Cc1sc2c(n1)CCCCN2C(=O)Cn1c(C)cc(nc1=O)C	EMOLS-id_319212500	332.421	KJCSUKIADZWAPE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061870
CCC[N@@H+]1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1ccoc1C)C	GD-id_ZINC11979131	332.421	BTVSEGYHDKSBLV-LBPRGKRZSA-O	00000000101000000101000000000010000000000000000000000000	31-01-061871
CCn1cc(ccc1=O)NC(=O)Nc1nc2c(s1)CCCCC2	PC-id_96320871	332.421	QKRZVPXEPFQMEV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061872
CCNc1ncc(cc1)C(=O)C1CCCc2c(C1O)sc(n2)N	PC-id_91351196	332.421	QJTWLCSXSBAOCZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-061873
CC(=O)c1cc(CC(=O)NCc2cc3CNCCCn3n2)cs1	MCULE-8268834590,EMOLS-id_44447643,ZINC22_82146535,PC-id_70774041	332.421	LDJRWOQHUXVBJA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061874
CN1CCc2c(C1)sc(n2)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111825396	332.421	CBAXRAIIQRQVGC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061875
Cn1ccc(NC(=O)C(=O)NCc2cc3c(s2)CCCCC3)n1	MCULE-7949541604,PC-id_75372601,ZINC22_77743424,EMOLS-id_48237980	332.421	ORJNPZFSCYJUPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061876
COc1ccccc1NC(=O)CSc1nc2n(n1)CCCCC2	PC-id_4200104,SPECS-id_AT-225/JK09945	332.421	MRPPQLFHCQIGLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061877
COc1ccccc1NC(=O)CSc1nnc2CCCCCn12	CoCoCo_6269198,ZINC22_4614526,PC-id_7303093,MCULE-5653516584,EMOLS-id_10083860	332.421	ZZMFZVITQGYJEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061878
COc1ccc(NC(=O)CSc2nc3n(n2)CCCCC3)cc1	CoCoCo_6600689,PC-id_4383415,SPECS-id_AT-225/NB58212,MCULE-2097179352,ZINC22_401002,CoCoCo_6600690	332.421	UECJBCNPHNDPHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061879
COc1ccc(NC(=O)CSc2nnc3CCCCCn23)cc1	CK1328685,MCULE-1037278736,EMOLS-id_5472076,ChEMBL-DNDi_CHEMBL1384295,CoCoCo_5791853,PC-id_4093762,CHEMBL1384295,ZINC22_93163	332.421	VLUSDMWFGHTQII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061880
CSc1cccc(NC(=O)Cn2nc3CCCCCn3c2=O)c1	SPECS-id_AT-687/NB01967,ZINC22_29206785,MCULE-2342791643,PC-id_36394958,EMOLS-id_48461829	332.421	ORRNBSIZEVSEMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061881
CSc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1	PC-id_41794169,EMOLS-id_18869404,MCULE-2493370144,ZINC22_11050508,CoCoCo_4447343	332.421	JMBACZKGELETJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061882
C[S@](=O)c1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1	PC-id_93984025,ZINC22_44226901	332.421	ZYHJQSQGTJYGHW-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061883
C[S@@](=O)c1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1	ZINC22_44226896,PC-id_93984024	332.421	ZYHJQSQGTJYGHW-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061884
n12CCN(CCc1nn(CC1CC1)c2=O)C(=O)Cc1ccsc1	MCULE-5498123048,PC-id_91910673,EMOLS-id_50590035	332.421	AWHGFJHMTNGNFY-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061885
N#Cc1c(NC(=O)CN2CCNC(=O)C2)sc2c1CCCCC2	CoCoCo_3580537,PC-id_17560995,CoCoCo_3580538,ZINC22_57383120,MCULE-2143282406,EMOLS-id_8507092	332.421	LYKBJMFEHWPOCZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061886
NC(=O)Cn1ccc(NC(=O)c2cc3c(s2)CCCCCC3)n1	EMOLS-id_44500036,PC-id_71938516,ZINC22_84613338,MCULE-3065709242	332.421	QKWBMZJEBHNDCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061887
O=C(c1cc2c(s1)CCCCC2)N1CCOC(C1)c1n[nH]cn1	EMOLS-id_319008829	332.421	IDJWMMNNAJNAQO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-061888
O=C(c1cc2n(n1)CCCO2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100762791	332.421	CDMCRALZIHIZOR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061889
O=C(c1ccc(cc1)S(=O)C)NCc1nnc2n1CCCCC2	PC-id_53519124,EMOLS-id_35694888,MCULE-8186948344	332.421	ZYHJQSQGTJYGHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061890
O=C(c1cccs1)N1CCCn2nnc(COCC3CC3)c2C1	PC-id_97517034,ZINC22_96256078,EMOLS-id_44369474	332.421	SNNUHEOLYCCMJK-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061891
O=C(c1ccsc1)N1CCCn2nnc(COCC3CC3)c2C1	EMOLS-id_44369526,ZINC22_96258988,PC-id_97519078	332.421	PWELJXJPUMZSGR-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-061892
O=C(c1cscn1)N1Cc2nccn2C[C@H](COCC2CC2)C1	PC-id_97462348,ZINC22_96187899	332.421	QIVHJXHKRHYPBL-ZDUSSCGKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-061893
c12-c(ccc1C=CC=CC=Cc1ccc3-c(ccc3)cc1)ccccc2	PC-id_609375	332.437	RAUVFSGNTBCXAG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-061937
O=C(c1cscn1)N1Cc2nccn2C[C@@H](COCC2CC2)C1	ZINC22_96187898,PC-id_97462347	332.421	QIVHJXHKRHYPBL-CYBMUJFWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-061894
OCc1nnn(c1)C1CN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_319942380,MCULE-5869199029	332.421	HMDUWCPIBANMHG-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-061895
O=C(CCC(=O)c1cccs1)NCc1nnc2n1CCCCC2	EMOLS-id_31354800,ZINC22_58055347,PC-id_47014546,MCULE-8959873438	332.421	OGHSBOCKLVUHFP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061896
O=C(N1CC(C1)(O)c1cnnn1C)c1cc2c(s1)CCCCC2	EMOLS-id_319133386	332.421	RKMOMVSWMVBBSU-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-061897
O=C(N1CCCc2c(C1)cnn2C)CCNC(=O)c1cscc1	EMOLS-id_318217122	332.421	RTNSZYJEVJCZBI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-061898
O=C(N1CCCCc2c1sc(n2)C)CCc1nnc(o1)C1CC1	EMOLS-id_318874371	332.421	LGHIHXOPAFQAPZ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-061899
O=C(N1CC(COCC2CC2)Cn2ccnc2C1)c1cscn1	EMOLS-id_44325931	332.421	QIVHJXHKRHYPBL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-061900
O=C(Nc1nc2c(s1)CCCCC2)CCC(=O)c1cnn(c1)C	EMOLS-id_100176836	332.421	AAEGWFDPHWHLSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061901
O=C(OCc1nnnn1C1CC1)c1cc2c(s1)CCCCCC2	EMOLS-id_44524402,PC-id_71898599,MCULE-8150658878,ZINC22_44089245	332.421	AIQZRQDVPMAVOE-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-061902
O=S1(=O)CCc2c1cc(cc2)NCc1nnc2n1CCCCC2	MCULE-2953930024,EMOLS-id_318037057	332.421	FRZASWKQMOLGPQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-061903
s1c2CCCCCc2cc1C(=O)NNC(=O)c1n(nc(c1)C)C	PC-id_52693898	332.421	HAQMEBFRBJJIIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061904
s1c2c(CCCCC2)c(c1NC(=O)c1n(ncc1)CC)C(=O)N	PC-id_49695184	332.421	ZTKQSABESSVYKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061905
s1c2c(CCCCC2)c(c1NC(=O)c1nn(CC)cc1)C(=O)N	PC-id_49696777	332.421	AHUFWWOKNDZXEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061906
s1c2c(CCCCC2)c(c1NC(=O)C(n1nccc1)C)C(=O)N	PC-id_60416736	332.421	WTQOZVQJLUMSBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061907
s1c2CCCCCc2nc1NC(=O)CC1C(=NC(=NC1=O)C)C	PC-id_85503679	332.421	PRJXDAWFUCTFRP-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-061908
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cn(nc1)C	PC-id_51219425	332.421	QQYYNPZODSMPCK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061909
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc(OC)ccc1	PC-id_7877374	332.421	WLTGSHIMIGVYEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-061910
c12C(CCCCn1nnn2)C(=O)NCCc1sc2c(CCC2)n1	PC-id_118776689,MCULE-8824056479,EMOLS-id_68903540	332.424	WFPZYWJWJXPOPK-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-061911
c12CN(CCCn1nc(CNc1ccnc(SC)n1)c2)C(=O)C	PC-id_70757989,ZINC22_82127325,EMOLS-id_44442181,MCULE-1300881286	332.424	CLKBJDOFAMWSHQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-061912
Nc1nn2c(c1)CN(CCC2)C(=O)Nc1nc2c(s1)CCCC2	MCULE-1602107003,EMOLS-id_320112188	332.424	FUGLHTDQOUDXEU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061913
CC1=CS(=O)(=O)c2c(ccs2)C(=C1)Cc1ccc(cc1)OC	PC-id_135066311	332.437	SKUJMACAXAZUIP-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-061938
NNC(=O)c1c(N=Nc2c(C)[nH]nc2C)sc2c1CCCCC2	PC-id_145976427	332.424	UDVHFKVZAVNPRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061914
O=C1CCCN1Cc1nnc2CCN(Cc3nccs3)CCn12	EMOLS-id_46148231,ZINC22_96058967,PC-id_97381623	332.424	OGERYWZZDOURFD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-061915
O=C(C1CCn2c(CC1)nnc2)N1CCN(CC1)c1nccs1	EMOLS-id_316604781	332.424	XDHHVKXJRUHRCO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-061916
O=C(c1scnc1C1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102179660	332.424	LGQRTPFWRFQMQH-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-061917
O=C(N1CCCC1c1cccs1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183144	332.424	PCJUIVCUVWUTPP-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-061918
O=C(N1CCCC1c1ccsc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183309	332.424	XXROEOWPMSDZIP-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-061919
O=C(N1CCn2c(C1)ncn2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101066623	332.424	KZFGZEWGFRYNLL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061920
O=C(NC1CCCc2c1ccs2)NC1CCn2c(CC1)nnn2	EMOLS-id_102170258	332.424	PYNUTSZGNZSVCB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-061921
O=C(Nc1nc2c(s1)CCCCC2)NCc1nnc2n1CCC2	EMOLS-id_110340357	332.424	MMPUPZQXLQVLAF-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-061922
O=C(NCCc1nc2c(s1)CCC2)[C@H]1CCCCn2nnnc12	ZINC22_299787352	332.424	WFPZYWJWJXPOPK-JTQLQIEISA-N	00000010100000000101000010000010000000000000000000000000	31-01-061923
O=C(NCCc1nc2c(s1)CCC2)[C@@H]1CCCCn2nnnc12	ZINC22_299787357	332.424	WFPZYWJWJXPOPK-SNVBAGLBSA-N	00000010100000000101000010000010000000000000000000000000	31-01-061924
S(c1n2CCCCCc2nn1)CC(=O)N(CCC#N)CCC#N	PC-id_7876944	332.424	OGFODMWFFDKMRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061925
[2H]OC(=O)c1ccccc1[CH+]c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_101446293	332.434	VHNXREIXTJKSJN-DYCDLGHISA-O	00000010100000110110000000000010000000000000000000000000	31-01-061926
CC(c1ccc(c2-c(c1)c(C)cc2C=c1ccccc1=C(O)O)C)C	PC-id_102159073	332.435	KKTMMWJLXZCPMD-UHFFFAOYSA-N	00000010100000100110000000000010000000000000000000000000	31-01-061927
COC1=CC(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)C=CC1=O	PC-id_101554684	332.435	NSTZFQPHHOARFT-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-061928
COC1=CC=CC(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)C1=O	PC-id_101537079	332.435	DFFVEFROJKJCML-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-061929
O[C@H]1C[C@@H](C)O[C@H](C1)c1cccc(c1)Cc1cc2-c(c1)ccccc2	PC-id_144189018	332.435	MGNRXAGRAVCXPA-UZFJHSOTSA-N	00000010100010110110100000000010000000000000000000000000	31-01-061930
O(C(=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C)c1c(cccc1)C	PC-id_20589318	332.435	RNTSORVUPYUNDM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061931
O(C(=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C)c1ccc(cc1)C	PC-id_20589320	332.435	QDPDHQQPWRPCGP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061932
O=C(C(N1CCCc2c(C1)ccs2)C)NCc1ccc(cc1)F	EMOLS-id_318069863	332.436	BUIJCEMRKVEQOK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-061933
c12-c(c(cc1C=Cc1ccccc1)C=Cc1ccccc1)ccccc2	PC-id_71317676	332.437	SXAZOKQVPCVAMP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061934
c12-c(ccc1C=CC=CC=Cc1c3-c(cc1)ccccc3)ccccc2	PC-id_86109521	332.437	CINIEJWIVNNNJW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-061935
CC1(O)C=c2oncc2=CC(C=C1OCCN1CCCCC1)(C)C	PC-id_143211927	332.437	LJQBTRZWIMYUPF-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-061939
O=C(c1noc2c1CCCCC2)N1CCC(CC1)OC1CCCC1	EMOLS-id_100979893	332.437	PROLPRBWUFOLNN-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-061940
O=C(c1noc2c1CCCCC2)N1CCCC(CC1)OC1CCC1	EMOLS-id_316664172	332.437	PYFCHVSUIRTSTO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-061941
O[C@@H]1CCN(C[C@H]1C1CCCC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_101528502	332.437	JPMOXHTXNOBMNP-JKSUJKDBSA-N	00000010100010000101100000000010000000000000000000000000	31-01-061942
c12-c(cc(ccc1C)C(C)C)c(cc2N=Nc1ccc(OC)cc1)C	MCULE-3770058476	332.439	QJEPIYIQAKYOOK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061943
c1ccc2-c(ccc2CN2CCN(c3ccccc3OC)CC2)cc1	EMOLS-id_675589,SPECS-id_AT-225/NB64237,MCULE-8261633067,PC-id_3716121,Chemmine_61775,ZINC22_54960009,BindingDB_PC-id_3716121,TIMTEC313930,MS2_R787949	332.439	MNVDCQLMHFFYCU-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-061944
COc1ccc(cc1)/N=Nc1cc(C)c2-c1c(ccc(c2)C(C)C)C	EMOLS-id_26478509	332.439	QJEPIYIQAKYOOK-VHXPQNKSSA-N	00000010100000110110000000000010000000000000000000000000	31-01-061945
O(c1ccc(/N=N/c2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1)C	PC-id_2741020	332.439	QJEPIYIQAKYOOK-WCWDXBQESA-N	00000010100000110110000000000010000000000000000000000000	31-01-061946
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c12CN(CCCn1nc(CCC(=O)N1CCOCC1)c2)CC=CC	PC-id_78086683,MCULE-1883460969	332.441	DHWUSRRTCYTXLX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061948
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)CC1CCOC1	MCULE-4201721634,PC-id_72899765,EMOLS-id_46070039	332.441	WUFZEGFCFZPGCD-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-061949
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)C(C)CC	MCULE-4584529615,PC-id_72886467,EMOLS-id_46060353	332.441	YRFRGWYLVBSPTC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-061950
c1(cc2n(CCCN(C(C)C)C2)n1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](O)C2	MCULE-8871281477,EMOLS-id_313079665,ZINC22_102388401	332.441	VDVCSSCIYASPFH-FOLVSLTJSA-N	00000010100010000101000000000110000000000000000000000000	31-01-061951
c1(CN(C)C(=O)CN2CCCCCC2=O)c2CCCCCc2[nH]n1	ZINC22_299759166,PC-id_118772524,MCULE-6046245063,EMOLS-id_68894945	332.441	AGCWAFPPDYOGDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061952
CC1CC2C(N1C(=O)Cn1nc3n(c1=O)CCCCC3)CCCC2	EMOLS-id_36981438,MCULE-2706180085,PC-id_56792586	332.441	ZWGXLTQIOGKKFX-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-061953
CC1CC(C1)C(=O)N1CCn2c(COCC3CC3)nnc2CC1C	EMOLS-id_313825573	332.441	FLTBEVFMTGZTCT-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-061954
CC1CCC(CC1)NC(=O)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318126262	332.441	YVQJBUBOQIGRBB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061955
CC1CCCC(N1C(=O)Cn1nc2c(c1)C(=O)NCC(C2)(C)C)C	EMOLS-id_318221628	332.441	DXCUDDUTVXUMBN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061956
CC1CC(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)C1	ZINC22_585110603	332.441	FXYBSMBUSQZVRJ-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-061957
CC1CC(C(=O)N2CCn3c(COCC4CC4)nnc3C[C@H]2C)C1	ZINC22_585097083	332.441	FLTBEVFMTGZTCT-JVWICGRDSA-N	00101000100000000101000000000010000000000000000000000000	31-01-061958
CC1CC(C(=O)N2CCn3c(COCC4CC4)nnc3C[C@@H]2C)C1	ZINC22_585097084	332.441	FLTBEVFMTGZTCT-OWYJLGKBSA-N	00101000100000000101000000000010000000000000000000000000	31-01-061959
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCN1C(=O)C(C)(C)C	MCULE-7543648660,EMOLS-id_320108340	332.441	ONXSFOWHRNORSK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-061960
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1COCCN1C1CCCC1	EMOLS-id_319169771	332.441	KXSXJKSUKSYNJE-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-061961
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCNC(=O)C1CCCCC1	MCULE-9371778129,EMOLS-id_319876793	332.441	MMSQYNDCDDQXHG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061962
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(NC(=O)C1CCCCC1)C	EMOLS-id_319050404	332.441	QQBRCGGOJKMYCU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061963
CCc1ccc(CN2CCCn3nc(cc3C2)C(O)CN(C)C)o1	PC-id_91760978,MCULE-3913075522,EMOLS-id_55605616	332.441	ADZWEPIDZFJKGP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061964
CCc1ccc(o1)CN1CCCn2c(C1)cc(n2)[C@H](CN(C)C)O	PC-id_100007093	332.441	ADZWEPIDZFJKGP-SFHVURJKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061965
CCc1ccc(o1)CN1CCCn2c(C1)cc(n2)[C@@H](CN(C)C)O	PC-id_100007096	332.441	ADZWEPIDZFJKGP-GOSISDBHSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061966
C=Cc1nc(c2n1CCCN(C2)C)C(=O)NC(C(C)(C)C)C(=O)C	PC-id_145538552	332.441	CKDPFANMWJMRRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-061967
CCC(c1nnc2n1CCCCC2)NC(=O)C1CCC(=O)C(C1)C	EMOLS-id_98320059	332.441	JQOLWLXNGOOKAW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061968
CCC(CC)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	ZINC22_96259399,PC-id_97519483,EMOLS-id_44370348	332.441	IXJQUWCJHWYVPZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-061969
CC(C)(C)C(=O)N1CCc2ncc(CNC(=O)C3CCC3)n2CC1	EMOLS-id_313779400,ZINC22_2055772237	332.441	LSMCWRWADQQBBF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-061970
C/C=C/CN1CCCn2nc(CCC(=O)N3CCOCC3)cc2C1	EMOLS-id_44861266,ZINC22_82138858,PC-id_70770742	332.441	DHWUSRRTCYTXLX-NSCUHMNNSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061971
CC(C)CNC(=O)c1ncn2c1CN(C(=O)C1CC(C)C1)CCC2	ZINC22_1565545613,EMOLS-id_313788220	332.441	LPZSEFZGIVCWST-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-061972
CC(CC(=O)N1CCCc2c(C1)cnn2C)NC(=O)C1CCCC1	EMOLS-id_101671373	332.441	MTSGLEYIEUVPSN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-061973
CCCC(=O)N1CCCCC1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671421	332.441	QUAHIYJKRGBVOP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061974
CCCC(=O)N1CCCCC1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319307358	332.441	OQBLPJCCHNOQNJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-061975
CC[C@@H](C)C(=O)N1CCCn2nc(CCC(=O)NC3CC3)cc2C1	PC-id_97130879,ZINC22_91644802	332.441	YRFRGWYLVBSPTC-CYBMUJFWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-061976
CC[C@H](C)C(=O)N1CCCn2nc(CCC(=O)NC3CC3)cc2C1	PC-id_97130880,ZINC22_91644803	332.441	YRFRGWYLVBSPTC-ZDUSSCGKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-061977
CCC(N1CC(CC1=O)C(=O)N1CCCc2c(C1)cnn2C)CC	EMOLS-id_101670073	332.441	AWUAVRWHKMDPQE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-061978
CC(C)N(C)CC1CN(Cc2nccn2C1)C(=O)C1[C@H]2COC[C@@H]12	EMOLS-id_313782679	332.441	KWGDICJEPFTOKH-GJUQIXGGSA-N	00100010100000000101010000000010000000000000000000000000	31-01-061979
CC(C)N(C)C[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@@H]23)Cc2nccn2C1	ZINC22_1565542518	332.441	KWGDICJEPFTOKH-AIANPOQGSA-N	00100010100000000101010000000010000000000000000000000000	31-01-061980
CC(C)N(C)C[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@@H]23)Cc2nccn2C1	ZINC22_1565542519	332.441	KWGDICJEPFTOKH-LJIGWXMPSA-N	00100010100000000101010000000010000000000000000000000000	31-01-061981
CC(C)N(C)C[C@@H]1CN(C(=O)[C@H]2[C@H]3COC[C@@H]23)Cc2nccn2C1	ZINC22_1565542520	332.441	KWGDICJEPFTOKH-MPTYRVRUSA-N	00100010100000000101010000000010000000000000000000000000	31-01-061982
CC(C)N(C)C[C@H]1CN(C(=O)[C@H]2[C@H]3COC[C@@H]23)Cc2nccn2C1	ZINC22_1565542521	332.441	KWGDICJEPFTOKH-PNBKFKSVSA-N	00100010100000000101010000000010000000000000000000000000	31-01-061983
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_242389326	332.441	ZWGXLTQIOGKKFX-QLFBSQMISA-N	00000010100010000101000000000110000000000000000000000000	31-01-061984
C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_242389327	332.441	ZWGXLTQIOGKKFX-RBSFLKMASA-N	00000010100010000101000000000110000000000000000000000000	31-01-061985
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_71911346,PC-id_95630244	332.441	ZWGXLTQIOGKKFX-ILXRZTDVSA-N	00000010100010000101000000000110000000000000000000000000	31-01-061986
C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_71911348,PC-id_95630246	332.441	ZWGXLTQIOGKKFX-KFWWJZLASA-N	00000010100010000101000000000110000000000000000000000000	31-01-061987
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(CCCc1ccco1)C2	ZINC22_219226449,PC-id_100035523	332.441	BQFUAVTXXYMSDY-GOSISDBHSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061988
CN(C)C[C@H](O)c1cc2n(n1)CCCN(CCCc1ccco1)C2	ZINC22_219226520,PC-id_100035525	332.441	BQFUAVTXXYMSDY-SFHVURJKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061989
CN(C)CC(O)c1cc2CN(CCCc3ccco3)CCCn2n1	PC-id_91768748,EMOLS-id_55627494,MCULE-9323972398	332.441	BQFUAVTXXYMSDY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-061990
CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)Cc1nnc2n1CCCCC2	EMOLS-id_319230008	332.441	MUYAGOIXUOMNMO-LSDHHAIUSA-N	00100000100010000101100000000010000000000000000000000000	31-01-061991
OC1CC2N(C(CC2)C1)C(=O)c1nn2c(c1)CN(CCC2)C(C)C	PC-id_75590919	332.441	VDVCSSCIYASPFH-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-061992
O=C1CCCN1CC1CCn2nccc2CN1CC1CCOCC1	EMOLS-id_313743540	332.441	LWEVHHLBITUOAD-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-061993
O=C1CCCN1CC1CN(CC2CCOCC2)Cc2ccnn2C1	EMOLS-id_50372771	332.441	RRMXGXWTBCVCSY-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-061994
O=C1CCCN1CC1CN(CC2CCOCC2)Cc2nccn2C1	PC-id_118743925,EMOLS-id_44326305	332.441	MWQFVQGOHZVOPI-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-061995
O=C1CCCN1C[C@@H]1CCn2nccc2CN1CC1CCOCC1	ZINC22_585097456	332.441	LWEVHHLBITUOAD-INIZCTEOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-061996
O=C1CCCN1C[C@H]1CCn2nccc2CN1CC1CCOCC1	ZINC22_585097460	332.441	LWEVHHLBITUOAD-MRXNPFEDSA-N	00000010100010000101000000000010000000000000000000000000	31-01-061997
O=C1CCCN1C[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1	ZINC22_248003599	332.441	RRMXGXWTBCVCSY-INIZCTEOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-061998
O=C1CCCN1C[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1	ZINC22_248003603	332.441	RRMXGXWTBCVCSY-MRXNPFEDSA-N	00000010100010000101000000000010000000000000000000000000	31-01-061999
O=C1CCCN1C[C@@H]1CN(CC2CCOCC2)Cc2nccn2C1	PC-id_97462903,ZINC22_96188467	332.441	MWQFVQGOHZVOPI-MRXNPFEDSA-N	00000010100010000101000000000010000000000000000000000000	31-01-062000
O=C1CCCN1C[C@H]1CN(CC2CCOCC2)Cc2nccn2C1	ZINC22_96188466,PC-id_97462902	332.441	MWQFVQGOHZVOPI-INIZCTEOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-062001
OC1C[C@@H]2N([C@@H](CC2)C1)C(=O)c1nn2c(c1)CN(CCC2)C(C)C	PC-id_50962185	332.441	VDVCSSCIYASPFH-MZBDJJRSSA-N	00000010100010000101000000000110000000000000000000000000	31-01-062002
O=C1N(CCC1)CCCNC(=O)Cn1nc2CCCCCCc2c1	PC-id_20892493	332.441	UDFSLSLZBGCHKU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-062003
O=C(C1(CCC1)C1(O)CCCNC1)N1CCCc2c(C1)cnn2C	EMOLS-id_318964385	332.441	WEOLURYHCZSBCD-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-062004
O=C(C1(CCC1)C1(O)CCNCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_319840792	332.441	QSEKGUQTSHUKBG-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-062005
O=C(C1CCCCN1C(=O)C(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101670157	332.441	YLLNPZHUWAQHSF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062006
O=C(C1CCCCN(C1=O)C)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_316668375	332.441	FJWKPDQQIHLSBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062007
O=C(C1CCC(=O)C(C1(C)C)C)NCc1nnc2n1CCCCC2	EMOLS-id_100952598	332.441	VHWAQDRVKVPHKA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062008
O=C(C1CCN2C1COCC2)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319367566	332.441	GOPYXGIXQRWDIS-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-062009
O=C(C1CCOCC1)N1Cc2ccnn2C[C@@H](CN2CCCC2)C1	ZINC22_247877990	332.441	USXNSANPRKVXGN-HNNXBMFYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-062010
O=C(C1CCOCC1)N1Cc2ccnn2C[C@H](CN2CCCC2)C1	ZINC22_247877993	332.441	USXNSANPRKVXGN-OAHLLOKOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-062011
O=C(C1CCOCC1)N1CCc2ncc(CN3CCCC3)n2CC1	ZINC22_96196878,PC-id_97467022,CHEMBL3552528,EMOLS-id_44328689	332.441	ZEULFGIUZWSJQZ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-062012
O=C(C1CCOCC1)N1CC(CN2CCCC2)Cn2nccc2C1	EMOLS-id_50371145	332.441	USXNSANPRKVXGN-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-062013
O=C(C1COCCN1C1CCCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101676551	332.441	QZAYGZRLGSFUGJ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-062014
O=C(CC1CC1)NCc1cnc2CCN(CC3CCOC3)CCn12	EMOLS-id_44329027	332.441	BOYLRYSAVFOVFN-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-062015
O=C(CC1CC1)NCc1cnc2n1CCN(C[C@@H]1CCOC1)CC2	ZINC22_96197049,PC-id_97467193	332.441	BOYLRYSAVFOVFN-HNNXBMFYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-062016
O=C(CC1CC1)NCc1cnc2n1CCN(C[C@H]1CCOC1)CC2	ZINC22_96197050,PC-id_97467194	332.441	BOYLRYSAVFOVFN-OAHLLOKOSA-N	00100010100000000101000000000010000000000000000000000000	31-01-062017
O=C(CC1CCCCC1)NCC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671319	332.441	HALZBTVLYHJTLC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062018
O=C(CCc1cc2n(n1)CCCN(C[C@@H]1CCOC1)C2)NC1CC1	PC-id_97137605,ZINC22_91713743	332.441	WUFZEGFCFZPGCD-AWEZNQCLSA-N	00100010100000000101000000000010000000000000000000000000	31-01-062019
O=C(CCc1cc2n(n1)CCCN(C[C@H]1CCOC1)C2)NC1CC1	PC-id_97137606,ZINC22_91713744	332.441	WUFZEGFCFZPGCD-CQSZACIVSA-N	00100010100000000101000000000010000000000000000000000000	31-01-062020
O=C(C(C)(C)C)N1CCCC(C1)Cn1nc2c(c1)C(=O)NCCC2	EMOLS-id_278702600	332.441	UFYPBPAQNLWDMV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062021
O=C([C@@H]1CCO[C@@H]1CC1CCNCC1)N1CCCc2n[nH]cc2C1	ZINC22_952889059,EMOLS-id_316087736,MCULE-2620608901	332.441	QVLQLMYERGRZKK-NVXWUHKLSA-N	00000010100010000101000000000010000000000000000000000000	31-01-062022
O=C(Cn1nc2c(c1)C(=O)NCC(C2)(C)C)NC1CCCCC1C	MCULE-6743610608,EMOLS-id_316462864	332.441	COTVHXIRJRIUPX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062023
O=C(Cn1nc2c(c1)C(=O)NCC(C2)(C)C)NC1CCCCCC1	MCULE-2266796196,EMOLS-id_316415292	332.441	DQABRBHLNJOVBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062024
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)C1CN(C1)C1COCC1	EMOLS-id_316727086	332.441	GVMFKDMAACIMCG-UHFFFAOYSA-N	00001010100000000101100000000010000000000000000000000000	31-01-062025
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)C1CN(C1)C1CCOCC1	EMOLS-id_316496875	332.441	LCXGPPJJPWNAIZ-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-062026
O=C(N1CCCC1C1CCCC1)Cn1nc2n(c1=O)CCCCC2	PC-id_87032299	332.441	VOQYHLIGWFSECX-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-062027
O=C(N1CCCc2c(C1)c[nH]n2)C1CCC(CC1)N1CCOCC1	EMOLS-id_278991238	332.441	YGPPRIVKGXMIFW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-062028
O=C(NC1CCCC1)N1Cc2nccn2C[C@@H](COCC2CC2)C1	ZINC22_96187934,PC-id_97462382	332.441	PMCFRGKAJBDKCU-OAHLLOKOSA-N	00100010100000000101000000000010000000000000000000000000	31-01-062029
O=C(NC1CCCC1)N1Cc2nccn2C[C@H](COCC2CC2)C1	ZINC22_96187935,PC-id_97462383	332.441	PMCFRGKAJBDKCU-HNNXBMFYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-062030
O=C(NC1CCCC1)N1CC(COCC2CC2)Cn2ccnc2C1	EMOLS-id_44325967	332.441	PMCFRGKAJBDKCU-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-062031
c1ccc(c2ccc(CNCc3nnc4n3CCCCC4)cc2)cc1	MCULE-8210962297,EMOLS-id_31849506,ZINC22_58264197,PC-id_51073152	332.442	BWCPNFGIPUSHAD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-062032
c1ccc(CCc2nnc3n2CCN(Cc2ccccc2)CC3)cc1	CoCoCo_1396985,EMOLS-id_20585671,MCULE-9303580179,ChEMBL-DNDi_CHEMBL47006413,CoCoCo_1396984,ZINC22_14995954,PC-id_26351575	332.442	NMCCAHWKFQCXAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062033
CCCc1nc2=CC(C=C(C=c2[nH]1)Cc1cc2c(cc1)nc([nH]2)C)C	PC-id_91075358	332.442	GGVJXHHFXANUBE-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-062034
Cn1ncc2c1CCCN(C2)S(=O)(=O)N=S1(=O)CCCC1	EMOLS-id_319498672	332.442	KYLSGXUCVWMKGL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-062035
O=C(N1CCCCc2c1sc(n2)C)CNS(=O)(=O)N(C)C	MCULE-2473317198,EMOLS-id_320240812	332.442	ATAYPMPGHNUVRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062036
c12CN(CCCn1nc(CNc1nnc(CCC)o1)c2)CC(C)C	ZINC22_95352770,EMOLS-id_46600254,PC-id_72839045,MCULE-5937871752	332.444	CHVFIOBWAHRHLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062037
c12nnnn1CCCCC2C(=O)N1CCC(CC1)C1CCNCC1	EMOLS-id_324151313,MCULE-7030428311,PC-id_154564124	332.444	NJTNLTNSCPCETA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-062038
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CN(C)C(=O)NCc1cc2n(n1)CCCN(CC1[C@H]3CNC[C@@H]13)C2	PC-id_70770142,CHEMBL4531430	332.444	GHNRVQSVFDTDRY-XYPWUTKMSA-N	00100010100000000101010000000010000000000000000000000000	31-01-062051
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COc1c(CNCc2nnc3n2CCCCC3)c(C(C)C)nn1C	ZINC22_58421513,CHEMBL3552299,PC-id_51131235,MCULE-2098325529	332.444	JGQMBVZQMNRXOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062053
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c1csc(c2n[nH]c(CSc3nnc4n3CCCCC4)n2)c1	ZINC22_93903449,PC-id_75397719,EMOLS-id_48309328,MCULE-1340132967	332.447	NKHUHESLEATWQJ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-062078
CCCCCc1cc(c2-c1ccc(cc2)CS)OC(=O)OCC	SCHEMBL8527372	332.457	MBSKIQLLZHBKIH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-062079
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CCN(CC)C(=O)[C@H](C#N)C(=O)c1cc2c(s1)CCCCCC2	ZINC22_102389384,PC-id_98305950	332.46	VSCVPHATQCPIKP-CQSZACIVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-062083
CCN(C(=O)C(C(=O)c1sc2c(c1)CCCCCC2)C#N)CC	MCULE-4335046261,EMOLS-id_45638695,PC-id_71940201	332.46	VSCVPHATQCPIKP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-062084
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O/N=C/c1c2-c(c(c1S(C(C)(C)C)(C)C)/C=N/O)ccccc2	PC-id_145572865	332.46	GOFBGJSICLISSH-AYKLPDECSA-N	00000010100000000110000000000010000000000000000000000000	31-01-062090
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s1c2N(CCCCc2nc1CCc1c(OC)c(OC)ccc1)C	PC-id_10592716	332.46	PCVAYRFLXGAKNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062093
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[n+]12c(n[nH]c1CCCCCC2)C(c1ccccc1)(c1ccccc1)C	PC-id_58804006	332.462	UPQYFRACXJGILW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-062095
s1c2NCCCCc2nc1/C(=C/c1ccccc1)/c1ccccc1	PC-id_15069525	332.462	MAWLJJMWHUWVPQ-OBGWFSINSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062096
s1c2NCCCCc2nc1C=C(c1ccccc1)c1ccccc1	PC-id_54105215	332.462	NDGMWXYCDHIBPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062097
s1c2NCCCCc2nc1C(=Cc1ccccc1)c1ccccc1	PC-id_70343476	332.462	MAWLJJMWHUWVPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062098
c12N(CCCCc1cc(C(=O)NCc1c(C)n[nH]c1C)s2)CC	EMOLS-id_97030890,MCULE-1456729707	332.464	CAOVAJOWRMSARP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062099
c12N(CCCCc1cc(C(=O)NCc1cn[nH]c1C)s2)CCC	EMOLS-id_97030517,MCULE-1140795207	332.464	QMMPUSWCQQTIGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062100
c1cc(CN2CCc3ncc(CN4CCOCC4)n3CC2)cs1	ZINC22_96196903,CHEMBL3552643,EMOLS-id_44328737,PC-id_97467047	332.464	IJHXVDVZJWRSRB-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-062101
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c1cn2c(n1)CN(Cc1ccsc1)C[C@@H](CN1CCOCC1)C2	PC-id_97462926,ZINC22_96188490	332.464	YTQHTIIIFNWMRJ-MRXNPFEDSA-N	00000000100110000101000000000010000000000000000000000000	31-01-062103
c1cn2c(n1)CN(Cc1ccsc1)C[C@H](CN1CCOCC1)C2	ZINC22_96188491,PC-id_97462927	332.464	YTQHTIIIFNWMRJ-INIZCTEOSA-N	00000000100110000101000000000010000000000000000000000000	31-01-062104
c1(CN(C)C(=O)CCc2scnc2C)c2CCCCCc2[nH]n1	MCULE-9363452981,ZINC22_82106788,EMOLS-id_44432371,PC-id_70729987	332.464	WGWQDOMDPNDKDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062105
c1(C(=O)NCCc2scc(C(C)C)n2)c2CCCCCc2[nH]n1	EMOLS-id_323255729,MCULE-8172386280	332.464	VRYXFOOMOLPXJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062106
c1(csc(C(C)C)n1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_55677467,PC-id_91839199,ZINC22_252509428,MCULE-1115923729	332.464	YNRSICHOWUJASM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062107
c1csc(CN2Cc3nccn3C[C@H](CN3CCOCC3)C2)c1	ZINC22_96066992,PC-id_97389320	332.464	RPCARTNILKYGLN-OAHLLOKOSA-N	00000000100110000101000000000010000000000000000000000000	31-01-062108
c1csc(CN2Cc3nccn3C[C@@H](CN3CCOCC3)C2)c1	ZINC22_96066993,PC-id_97389321	332.464	RPCARTNILKYGLN-HNNXBMFYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-062109
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Cc1nc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)cs1	ZINC22_96189099,PC-id_97463514	332.464	LVRXFZUJLJDYPN-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062125
Cc1nc(CN2Cc3cncn3C[C@H](COCC3CC3)C2)cs1	PC-id_97475487,ZINC22_96207360	332.464	IZIGKPVGTAGMIP-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062126
Cc1nc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)cs1	ZINC22_96207361,PC-id_97475488	332.464	IZIGKPVGTAGMIP-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062127
Cc1nc(CN2Cc3nccn3C[C@H](COCC3CC3)C2)cs1	PC-id_97462333,ZINC22_96187884	332.464	SKNRQCHKLXWWII-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062128
Cc1nc(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)cs1	PC-id_97462334,ZINC22_96187885	332.464	SKNRQCHKLXWWII-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062129
Cc1nc(CN2CCCn3cnc(COCC4CC4)c3C2)cs1	CHEMBL3551992,PC-id_97520048,EMOLS-id_44371470,ZINC22_96259968	332.464	WVTOICVSMJMPIX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062130
Cc1nc(CN2CC(COCC3CC3)Cn3ccnc3C2)cs1	EMOLS-id_44325917,CHEMBL3554992,PC-id_118743597	332.464	SKNRQCHKLXWWII-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062131
Cc1nc(CN2CC(COCC3CC3)Cn3cncc3C2)cs1	EMOLS-id_49230029	332.464	IZIGKPVGTAGMIP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062132
Cc1nc(CN2CC(COCC3CC3)Cn3nccc3C2)cs1	EMOLS-id_44327027	332.464	LVRXFZUJLJDYPN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062133
Cc1ncsc1CN1Cc2cccn2C[C@@H](C(=O)NC(C)C)C1	ZINC22_248009229	332.464	FUZYLJCVEAJPDY-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062134
Cc1ncsc1CN1Cc2cccn2C[C@H](C(=O)NC(C)C)C1	ZINC22_248009234	332.464	FUZYLJCVEAJPDY-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062135
Cc1ncsc1CN1Cc2cncn2C[C@H](COCC2CC2)C1	PC-id_97475264,ZINC22_96207120	332.464	XSTURMSANDDMGW-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062136
Cc1ncsc1CN1Cc2cncn2C[C@@H](COCC2CC2)C1	PC-id_97475265,ZINC22_96207121	332.464	XSTURMSANDDMGW-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062137
Cc1ncsc1CN1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49229695	332.464	XSTURMSANDDMGW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062138
Cc1nn(C)c(C)c1CCC(=O)Nc1nc2c(s1)CCCCC2	PC-id_24611850,CoCoCo_4546258,EMOLS-id_44038068,ZINC22_25063914,MCULE-6137743363	332.464	JJGGAOYRGKRKBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062139
Cc1sc2c(n1)CCCCN2C(=O)C(c1c(C)nn(c1C)C)C	EMOLS-id_319898120,MCULE-9222399444	332.464	LMVYYUGCHCDFOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062140
Cc1sc2c(n1)CCCCN2C(=O)CCc1c(C)nn(c1C)C	MCULE-3745115595,EMOLS-id_319934893	332.464	LPQOVBJLBJLBIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062141
Cc1sc2c(n1)CCCCN2C(=O)C(Cc1c(C)n[nH]c1C)C	EMOLS-id_318904747	332.464	KTCXRESWDFFFGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062142
Cc1sc2c(n1)CCCCN2C(=O)CCCn1nc(cc1C)C	MCULE-1944866758,EMOLS-id_319886556	332.464	VHLLTCNDRFMZEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062143
CCc1cc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)sc1C	ZINC22_29899176	332.464	BXLSXYRUKQYGIA-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-062144
CCc1cc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)sc1C	ZINC22_29899180	332.464	BXLSXYRUKQYGIA-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062145
CCc1cc(sc1C)C(=O)NC(c1nnc2n1CCCCC2)C	MCULE-9923259550,PC-id_53503151,EMOLS-id_35688464	332.464	BXLSXYRUKQYGIA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062146
CC(C1OCCc2c1ccs2)NCc1nnc2n1CCCCC2	EMOLS-id_318176321,MCULE-5340028674	332.464	PUQRQKOIFZFCLO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-062147
CC(Cc1ccc(s1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101726178	332.464	NATZJIBJDWANDV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062148
CC(Cc1cccs1)NC(=O)CCc1cc2CNCCCn2n1	PC-id_70745851,MCULE-9914120784,EMOLS-id_43128623	332.464	CBXWPQMGNXMXOR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062149
CC(Cc1nc(sc1C(=O)N1CCCc2c(C1)cnn2C)C)C	EMOLS-id_101673104	332.464	VPXGYNSPWOGEJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062150
CCCCn1ncc(c1C)C(=O)N1CCCCc2c1sc(n2)C	MCULE-6242611404,EMOLS-id_319851168	332.464	HGGOYYBHOTZXGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062151
CCCCn1nc(c(c1)C(=O)N1CCCCc2c1sc(n2)C)C	MCULE-1846517169,EMOLS-id_320101463	332.464	IHKQKBWLBPDSAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062152
CCC(n1ccc(n1)C(=O)N1CCCCc2c1sc(n2)C)CC	EMOLS-id_319091851	332.464	KVOGNLVVIPCZSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062153
CCC(n1nc(cc1C)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319189624	332.464	OACXTCYRBKHFQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062154
CCC(n1nccc1C(=O)N1CCCCc2c1sc(n2)C)CC	EMOLS-id_319183590	332.464	VBGFEUFWHLFEMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062155
CC(C)N(C)Cc1cnc2CCN(CCn12)C(=O)c1ccsc1	ZINC22_96067885,PC-id_97390191,EMOLS-id_46161805	332.464	ZBPUCURVKNKMOL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062156
CC(C)N(C)CC1CN(Cc2nccn2C1)C(=O)c1cccs1	EMOLS-id_44326167	332.464	QZGNJXGORDDHLG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062157
CC(C)N(C)CC1CN(Cc2nccn2C1)C(=O)c1ccsc1	EMOLS-id_46160545	332.464	KRFZNEJUIOCBIL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062158
CC(C)N(C)Cc1ncn2c1CN(C(=O)c1cccs1)CCC2	EMOLS-id_44369984,PC-id_97519303,ZINC22_96259219	332.464	CQCXAJNISCGROJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062159
CC(C)N(C)Cc1ncn2c1CN(C(=O)c1ccsc1)CCC2	EMOLS-id_44369986,PC-id_97519304,ZINC22_96259220	332.464	YWCAPPURSTWGSX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062160
CC(C)N(C)C[C@H]1CN(C(=O)c2cccs2)Cc2nccn2C1	ZINC22_96188326,PC-id_97462767	332.464	QZGNJXGORDDHLG-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062161
CC(C)N(C)C[C@@H]1CN(C(=O)c2cccs2)Cc2nccn2C1	ZINC22_96188327,PC-id_97462768	332.464	QZGNJXGORDDHLG-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062162
CC(C)N(C)C[C@H]1CN(C(=O)c2ccsc2)Cc2nccn2C1	PC-id_97389258,ZINC22_96066928	332.464	KRFZNEJUIOCBIL-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062163
CC(C)N(C)C[C@@H]1CN(C(=O)c2ccsc2)Cc2nccn2C1	PC-id_97389259,ZINC22_96066929	332.464	KRFZNEJUIOCBIL-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062164
CC(C)NC(=O)C1CN(Cc2scnc2C)Cc2cccn2C1	EMOLS-id_50014268	332.464	FUZYLJCVEAJPDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062165
C[C@@H](Cc1cccs1)NC(=O)CCc1cc2n(n1)CCCNC2	ZINC22_72431649,PC-id_95873100	332.464	CBXWPQMGNXMXOR-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062166
C[C@H](Cc1cccs1)NC(=O)CCc1cc2n(n1)CCCNC2	ZINC22_72431650,PC-id_95873101	332.464	CBXWPQMGNXMXOR-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062167
C[C@H](NC(=O)CCCc1cccs1)c1nnc2n1CCCCC2	PC-id_94555505,ZINC22_54536916	332.464	ZYFFSHQOXNWHNR-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062168
C[C@@H](NC(=O)CCCc1cccs1)c1nnc2n1CCCCC2	PC-id_94555506,ZINC22_54536918	332.464	ZYFFSHQOXNWHNR-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062169
CCn1c(C)cc(c1C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3081372,CoCoCo_3081375	332.464	NPSBYQHQJGUJJF-PTNGSMBKSA-N	00000000110000000101000000000010000000000000000000000000	31-01-062170
CCn1c(C)cc(c1C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3081374,CoCoCo_3081373	332.464	NPSBYQHQJGUJJF-RVDMUPIBSA-N	00000000110000000101000000000010000000000000000000000000	31-01-062171
CCn1c(C)cc(C(=O)CSc2nnc3n2CCCCC3)c1C	ZINC22_14165302,EMOLS-id_13494895,PC-id_17457325,CoCoCo_3081371,MCULE-1890528577	332.464	FBSUFUXOVSIVKT-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-062172
CCn1nc(c(c1C)CC(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_320014904,MCULE-2273122524	332.464	LRBBVSVHNXECNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062173
CCN(Cc1cnc2n1CCN(CC2)C(=O)c1cscc1)CC	PC-id_97390185	332.464	CBTWYCRFSZCCAO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062174
CCN(CC)CC1CN(Cc2nccn2C1)C(=O)c1cccs1	EMOLS-id_44326131	332.464	WWOPOIVPFXRLFX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062175
CCN(CC)C[C@H]1CN(C(=O)c2cccs2)Cc2nccn2C1	ZINC22_96188292,PC-id_97462735	332.464	WWOPOIVPFXRLFX-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062176
CCN(CC)C[C@@H]1CN(C(=O)c2cccs2)Cc2nccn2C1	ZINC22_96188293,PC-id_97462736	332.464	WWOPOIVPFXRLFX-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062177
Cn1nnc(c1)C[C@H](NC(=O)c1sc2c(c1)CCCCCC2)C	EMOLS-id_318967069	332.464	XQMVKPBUCUSUPY-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062178
N#CCCN(C(=O)Nc1sc2c(n1)CCCCCC2)CC1CC1	EMOLS-id_101106642	332.464	TWXMEAZDFHFLBK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062179
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O=C(Nc1sc(c(c1C)C)C)CN1CCCc2c(C1)cnn2C	EMOLS-id_101740909	332.464	OURZQWHVCAWMEH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062187
O=C(Nc1sc(c(c1C)C)C)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319454392	332.464	YBLOYICMVZBALF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062188
O=C(NC(c1nnc2n1CCCCC2)C)CCCc1cccs1	MCULE-7024687518,EMOLS-id_35688584,PC-id_53503699	332.464	ZYFFSHQOXNWHNR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062189
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s1c(CCCC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_51307484	332.464	ZTQNPJKYNGCHBG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062191
s1c(C(=O)NCCc2n3CCCCCc3nn2)cc(c1CC)C	PC-id_51307474	332.464	OYWYPGLTBNPLAK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062192
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S=c1n2CCCCCc2nn1CN(Cc1cc(OC)ccc1)C	PC-id_31582360	332.464	SEEAPTVBAPUAMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062194
C1CCC(CC1)c1nsc(n1)NCc1nnc2n1CCCCC2	EMOLS-id_102049841	332.467	PHJGDPADKLURJX-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-062195
C1CCn2c(CC1)nnc2CNC1CCN(CC1)c1nccs1	MCULE-8051320437,EMOLS-id_318029643	332.467	GSAGITWWYQYWKS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-062196
c1nc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)cs1	ZINC22_65595903,EMOLS-id_35724458,PC-id_53518447,MCULE-6885777218	332.467	FMUNGIBMHGUKEZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062197
Cc1cnc(s1)N1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_111706377	332.467	NTJAXCNUHJXGIC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-062198
Cc1nc(CN2CCCn3c(CN4CCCC4)nnc3C2)cs1	ZINC22_96084803,PC-id_97405626,EMOLS-id_46182639	332.467	OYGYIVNQOAGGQN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-062199
CCNC(=NCc1ccsc1)NCc1nnc2n1CCCCC2	PC-id_111939543	332.467	PYTDGLAZRSNKHU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062200
CCNC(=NCc1nnc2n1CCCCC2)NCc1cccs1	PC-id_111258827	332.467	BWNFHMADXGCPGC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062201
Cn1ncc(c1)C1CSCCN1Cc1nnc2n1CCCCC2	EMOLS-id_111640535	332.467	HVPHXPJJFGAWQA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-062202
CN=C(NCc1cccs1)NCCc1nnc2n1CCCCC2	PC-id_111257583	332.467	DZEKKQONXOANLW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062203
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CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(s1)C	PC-id_111897925	332.467	JVQYLMIBSYZQGE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062205
CN=C(NCc1nnc2n1CCCCC2)NCc1sccc1C	PC-id_111892863	332.467	BGRYWBGWYTVWFJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062206
CN=C(NCc1nnc2n1CCCCC2)NCCc1cccs1	PC-id_111349192	332.467	WUFAYGDSKVGDPQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062207
NC(=NCCc1cccs1)NCCc1nnc2n1CCCCC2	PC-id_111039161	332.467	PTMQKCJXDCEZTH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062208
Cc1c2-c(c(cc2C=CC=CC(=CC(=O)C)C)C)cc(cc1)C(C)C	PC-id_87412657	332.479	ZFGLFHFXCXZFTL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-062209
CCC(=C)Cc1coc2=CC(=CCC=c12)CCc1ccc(cc1C)C	SCHEMBL19191516	332.479	YRHXBFJHJKNYPG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-062210
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O(CCCCCC)c1ccc(CCc2ccc3-c(cc2)ccc3)cc1	PC-id_85723071	332.479	HQADXRHPDZZAED-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-062212
c1cc2n(c1)C[C@@H](CCOCC1CC1)CN(CC1CCOCC1)C2	ZINC22_585095533	332.48	VPBZPYMYLNERPP-IBGZPJMESA-N	00100000100010000101000000000010000000000000000000000000	31-01-062213
c1cc2n(c1)C[C@H](CCOCC1CC1)CN(CC1CCOCC1)C2	ZINC22_585095534	332.48	VPBZPYMYLNERPP-LJQANCHMSA-N	00100000100010000101000000000010000000000000000000000000	31-01-062214
C(CC1CN(CC2CCOCC2)Cc2cccn2C1)OCC1CC1	EMOLS-id_313837348	332.48	VPBZPYMYLNERPP-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-062215
CCC(C(=N)c1ccc(cc1)Cn1ccc2=C(C)C(C=CC=c12)C)C	SCHEMBL18977685	332.482	HMQBPANNPZIKNP-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-062216
Cc1sc2c(n1)CCCCN2C(=O)C1CC1c1sccc1C	EMOLS-id_318997574	332.483	CGAVEDQEONJYEC-UHFFFAOYSA-N	00100000100100000101100000000010000000000000000000000000	31-01-062217
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N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(c(c1)F)Cl	EMOLS-id_76008757,PC-id_121558806,MCULE-1746713137	332.76	ONIVDCOWLJJVDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062311
N#C[C@H](C(=O)c1ccc(Cl)c(F)c1)c1nnc2n1CCCCC2	ZINC22_161985158	332.76	ONIVDCOWLJJVDA-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062312
N#C[C@@H](C(=O)c1ccc(Cl)c(F)c1)c1nnc2n1CCCCC2	ZINC22_161985262	332.76	ONIVDCOWLJJVDA-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-062313
Clc1ccc2c(c1)C(CO2)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100993681	332.781	OJYKTPBKOIEVQH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-062315
Clc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC)cc1	PC-id_53007953	332.785	HQBNSHLKGJGTSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062316
O=C(C1CCn2c(CC1)nnc2)NC1COc2c1cccc2Cl	MCULE-5114392005,EMOLS-id_319873169	332.785	LDSYFAPITFMDBG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-062317
Clc1ccc2c(c1)N(CC2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102159031	332.788	DVRLPUONIAGLQW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-062318
O=C(N1CCc2c1cccc2Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102165106	332.788	YUFZUUVNZXHZBT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-062319
N#Cc1cnc(c(c1)Cl)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319121512	332.808	RGZUSPONTNTWQH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-062320
ClCCCN1CCC(c2c(C1=O)ccn2Cc1ccccc1)O	PC-id_101028467	332.825	CIIMWYVAVZCZSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-062321
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1ccc(cc1)Cl)C	EMOLS-id_319824715	332.828	WWBIKEKWBAVOHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062322
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1cccc(c1)Cl)C	EMOLS-id_319872916,MCULE-2550302868	332.828	MIQBOCZVAFKUHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062323
CC1CN(CCC(=O)Nc2ccccc2Cl)Cc2c(C1)[nH]nc2	EMOLS-id_318821458	332.828	YJPUQIPWRLLWLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062324
CC1CN(CCC(=O)Nc2cccc(c2)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_318823398	332.828	IFRCDMZMUGWERJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062325
CC1CN(CC(=O)Nc2ccc(cc2C)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319233319	332.828	ADPCDDHMZSQKPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062326
CC1CN(CC(=O)Nc2cccc(c2C)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319447476	332.828	XDIJDSYTAJMVNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062327
CC1CN(CC(=O)NCc2ccc(cc2)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319762353	332.828	UXZXWXWJZVEFAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062328
CCc1ccc(cc1Cl)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101859775	332.828	VMHVCOIRUGLJHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062329
CCC(c1ccc(cc1)Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319806133	332.828	XWNAMSZBLQWOOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062330
C[C@@H](NC(=O)Cc1ccccc1Cl)c1nnc2n1CCCCC2	ZINC22_29900386	332.828	CEMUPCKCWNHPHU-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062331
C[C@H](NC(=O)Cc1ccccc1Cl)c1nnc2n1CCCCC2	ZINC22_29900389	332.828	CEMUPCKCWNHPHU-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062332
CCN1CC2C(C1)CN(C2)C(=O)c1nc2=CCC(=CC=c2[nH]1)Cl	PC-id_143233219	332.828	CDTGIJMWJXBPPP-UHFFFAOYSA-N	00000010100000000111000000000110000000000000000000000000	31-01-062333
CCNc1ccc(cc1C(=O)N1CCCc2c(C1)cnn2C)Cl	MCULE-8026688608,EMOLS-id_318100027	332.828	URASIQQVLPIFBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062334
CCNc1ccc(cc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)Cl	EMOLS-id_318956319	332.828	AIGGMQQBFUVVLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062335
Clc1ccc(cc1)[C@@H](NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101694116	332.828	AQWDBLHQZIAEJC-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062336
Clc1ccc(cc1)[C@H](NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101694128	332.828	AQWDBLHQZIAEJC-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062337
Clc1cccc(c1)C(NC(=O)C1CCn2c(CC1)nnc2)(C)C	MCULE-1120567771,EMOLS-id_320108787	332.828	OFLNOXQDIQGWOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062338
Clc1c(CC(=O)NC(c2n3CCCCCc3nn2)C)cccc1	PC-id_53503157,EMOLS-id_35688574,MCULE-5782936999	332.828	CEMUPCKCWNHPHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062339
Clc1c(CC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_51307470	332.828	TVGGBMCQGAEFRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062340
CNc1ccc(c(c1)Cl)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319565458	332.828	CJWNRRFQJJARHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062341
CN(C)Cc1cnc2CCN(CCn12)C(=O)c1cccc(Cl)c1	ZINC22_2055772214,EMOLS-id_313778892	332.828	IQFRHUJGMNBWDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062342
O=C(C1CCn2c(CC1)nnc2)NCCc1ccc(c(c1)C)Cl	MCULE-1125045202,EMOLS-id_320268382	332.828	MHNKQQAIQUATJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062343
O=C(Cc1cccc(c1Cl)C)NCc1nnc2n1CCCCC2	EMOLS-id_318380284	332.828	UACPYAPWSUJUCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062344
O=C(Cc1ccc(cc1Cl)C)NCc1nnc2n1CCCCC2	EMOLS-id_318562112	332.828	CLXDXZZPJOFAKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062345
O=C(Cc1ccc(Cl)cc1)NCCc1nnc2n1CCCCC2	EMOLS-id_30738943,PC-id_47016869,MCULE-9944163437,ZINC22_48354608	332.828	QURRHCZCZKRCOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062346
O=C(N1CCCc2c(C1)cnn2C)C(Cc1ccccc1Cl)N	MCULE-4351273978	332.828	JYQJYGRTEXXWHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062347
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(C)c(c(c1)C)Cl	EMOLS-id_101865294	332.828	VQHOCWVXUSJARK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062348
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(C)c(cc1Cl)C	EMOLS-id_101868273	332.828	PWHWWLIBOWNNQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062349
O=C(N1CCCc2c(C1)cnn2C)N[C@H](c1ccccc1Cl)C	EMOLS-id_101699306	332.828	VNZCAIIQTCRSLQ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062350
O=C(N1CCCc2c(C1)cnn2C)N[C@@H](c1ccccc1Cl)C	EMOLS-id_101710040	332.828	VNZCAIIQTCRSLQ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062351
O=C(N(C(c1ccccc1Cl)C)C)C1CCn2c(CC1)nnc2	MCULE-8391307611,EMOLS-id_319934192	332.828	QVBKXNAWPFARAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062352
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCCCC2)n1	MCULE-5837453004	332.848	WISGUTURJVRQRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062353
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCCCC2)n1	MCULE-7055466817	332.848	OMGFUMMQRLLDCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062354
c1(NC(=O)C=Cc2cccc(Cl)c2)sc2c(CCCCC2)n1	MCULE-7403340372	332.848	MEEVYVMOXRZBFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062355
Clc1ccccc1/C=C/C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_334602357	332.848	OMGFUMMQRLLDCE-ZHACJKMWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062356
Clc1cccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)c1	EMOLS-id_334602868	332.848	MEEVYVMOXRZBFX-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062357
Clc1ccc(/C=CC(=O)Nc2nc3CCCCCc3s2)cc1	EMOLS-id_334605428	332.848	WISGUTURJVRQRP-FLIBITNWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062358
Clc1c(C=NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_78620810	332.848	GIKCOOBBQKDSNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-062359
ClCCCS(=O)(=O)Nc1sc2c(CCCCC2)c1C#N	PC-id_43654345	332.869	MOHNVFRJWUFMPL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-062360
ClC(c1sc2c(CCCCC2)c1)c1c2c(sc1)cccc2	PC-id_63433054	332.911	BQEJFQGPBSLURE-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-062361
Brc1c2-c(nc(n2)N)cc(Br)c(OC)c1	PC-id_86160030	332.979	SCCGAOZBDCKTIR-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-062362
CC1=NN=C2N1C(=CC=N[C@H]2CC(=O)NCC(F)(F)F)SC	PC-id_148152892	333.087	JZCUSCYRXVWEQR-QMMMGPOBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-062363
CCCCCN1B(C)Nc2nnnn2C(C(N(B1C)C)CC)(C)C	PC-id_144358350	333.091	DDODMMYBVSSBSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062364
CC(C1=CC(=C(C=C1)N=S)N)N2CCC3=C(CC2)SC(=N3)N	PC-id_154685818	333.108	DIKMRRPZNZMLEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062365
C[C@@H]1CCC2=C(N(C=C2S(=N)(=O)N1)C)C(=O)NC3=CC=NC=C3	PC-id_147850727	333.126	HUTQVCMYTXSKFD-WXHONRPMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-062366
Brc1c2-c(c(=C(C#N)C#N)c1)cccc(=C(C#N)C#N)c2	PC-id_85778724	333.142	DWUQLLJJTBVZBF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-062367
Brc1c2-c(c(=C(C#N)C#N)c1)cc(=C(C#N)C#N)ccc2	PC-id_85778725	333.142	HWXQCUQKHCNVKW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-062368
C1CN(CCC1F)C2=CC=C(C=C2)C#CC3=CC4=CCC=CN=C4N3	PC-id_155197894	333.164	SUZZIGKDKCMKII-UHFFFAOYSA-N	00000000100010110110100000000010000000000000000000000000	31-01-062369
IC1=CCCC(c2onc(OC(C)C)c12)C	PC-id_44221956	333.165	RARVBEOGXWMWJC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-062370
Brc1ccc(cc1)Cc1[nH]c2c(c1)C(=O)CCNC2=O	PC-id_141269739	333.18	CNUCCCBZQRQZQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-062371
Brc1ccc(cc1)Cn1ccc2c1C(=O)NCCC2=O	PC-id_141228195	333.18	DUAXXMKMFNLPGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-062372
CC1=c2c(=CC(C=C1)(C)C)sn(c2=O)I	PC-id_138533318,SCHEMBL20886802	333.189	OLVVZIGYAHTGGN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-062373
CCOC(=O)c1nc(n2c1CN(CCC2)C(=O)OC(C)(C)C)C[B]	PC-id_145538672	333.19	XOIVOHHZTWMFKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062374
Clc1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1Cl	EMOLS-id_30720345,MCULE-5736334396,PC-id_72084747	333.215	GITHETRCHAYFBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062375
Clc1c(/C=C(c2n3CCCCCc3nn2)/C#N)cccc1Cl	PC-id_47005688	333.215	GITHETRCHAYFBS-XFXZXTDPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062376
Clc1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1Cl	PC-id_8275290	333.215	GITHETRCHAYFBS-FMIVXFBMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062377
Clc1c(C=C(c2n3CCCCCc3nn2)C#N)ccc(Cl)c1	EMOLS-id_31320573,PC-id_4809590,MCULE-7488510678	333.215	FUGIBVNDLPWMHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062378
Clc1c(/C=C(c2n3CCCCCc3nn2)/C#N)ccc(Cl)c1	PC-id_47005687	333.215	FUGIBVNDLPWMHX-WQLSENKSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062379
Clc1c(/C=C(/c2n3CCCCCc3nn2)C#N)ccc(Cl)c1	PC-id_6213819	333.215	FUGIBVNDLPWMHX-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062380
Clc1c(/C=C(c2n3CCCCCc3nn2)/C#N)c(Cl)ccc1	CoCoCo_3456374,PC-id_75362032	333.215	RKSJDOJCAKEZAR-LUAWRHEFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062381
Clc1c(C=C(c2n3CCCCCc3nn2)C#N)c(Cl)ccc1	PC-id_4449624,EMOLS-id_44488183,MCULE-2492609990	333.215	RKSJDOJCAKEZAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062382
Clc1c(/C=C(/c2n3CCCCCc3nn2)C#N)c(Cl)ccc1	PC-id_6113284,CoCoCo_3456373	333.215	RKSJDOJCAKEZAR-PKNBQFBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062383
Clc1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1Cl	MCULE-9698507928,EMOLS-id_30718935,PC-id_72084746	333.215	JWOXLRNXSHBADM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062384
Clc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1Cl	PC-id_27115428	333.215	JWOXLRNXSHBADM-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062385
Clc1cc(/C=C(c2n3CCCCCc3nn2)/C#N)ccc1Cl	PC-id_47005689	333.215	JWOXLRNXSHBADM-WQLSENKSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062386
[B]c1nc(c2n1CCCN(C2)C)C(=O)NC(C(NC)O)C(C)(C)C	PC-id_89175494	333.237	OYGREBWCUFYGDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062387
Clc1scc(c1Cl)CNCc1nnc2n1CCOCC2	EMOLS-id_318556590,MCULE-3927607453	333.237	OQUWRHBILWAQLM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062388
CC[C@]1(CCCCCN2C=C(C[C@@](CCC1=O)(C)C(=O)C)N=N2)C	PC-id_160174155	333.242	PDKQIMUNXSTXMH-OALUTQOASA-N	00000000100000000101000000000010000000000000000000000000	31-01-062389
CC(C)(C)OC(=O)N1CCc2nc(Br)sc2CC1	MCULE-3224806824,EMOLS-id_49829508,ZINC22_95080660,PC-id_71651202,SCHEMBL15282792	333.245	UXPOCQZUOREPHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062390
Brc1ccc(Cn2cc3C(NC)CCCCc3c2)cc1	PC-id_83208553	333.266	VXJHWBOBILWAQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-062391
Brc1cc(Cn2cc3C(NC)CCCCc3c2)ccc1	PC-id_83208075	333.266	CRZSURJADCLXJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-062392
Brc1c(Cn2cc3C(NC)CCCCc3c2)cccc1	PC-id_83207869	333.266	NGOIIORDRRVTJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-062393
CC(C)(c1n[nH]c2CCCCCc12)c1ccc(Br)cc1	EMOLS-id_337934616	333.266	BUHLWPQMBVIYLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062394
CC(C)(c1n[nH]c2CCCCCc12)c1cccc(Br)c1	EMOLS-id_337932825	333.266	JIQLEUOEUWOFHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062395
O=C(N1CCCCc2c1sc(n2)C)CC1(C)CC1(Cl)Cl	EMOLS-id_319668165	333.277	YEKHKMWWPMTAKK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-062396
Clc1sc(Cl)cc1C(O)c1sc2c(CCCCC2)c1	PC-id_63426895	333.296	OVVZURHUODKQES-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-062397
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	EMOLS-id_318774498	333.306	CJULSDPLQOAMDR-HXBSPLPWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062398
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCC(=O)OC	PC-id_19523750	333.306	WSACGMGVNIIGIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062399
s1c2CCCCCCc2nc1NC(=O)c1c(F)cc(OC)cc1	PC-id_56021976	334.408	ZIMTZGOTQIQAJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063444
O=C(C1CC(OC(F)(F)F)C1)N1CCCn2nc(CO)cc2C1	ZINC22_2325782664	333.306	SLKHRTCUAQORAV-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-062400
Fc1cc2C(=Cc3c4-c(c(c3)C(=O)O)ccccc4)C(=O)Nc2cc1	PC-id_68580160,SCHEMBL3282584	333.313	TXUYDLXQQUZDPS-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-062401
Fc1cc2/C(=C/c3c4-c(c(c3)C(=O)O)ccccc4)/C(=O)Nc2cc1	SCHEMBL3282581,PC-id_68580158	333.313	TXUYDLXQQUZDPS-PXNMLYILSA-N	00000010100000100110000000001010000000000000000000000000	31-01-062402
COC(=O)c1nn2c(c1O)C(=O)N(CCC2)Cc1ccc(cc1)F	PC-id_54706428,SCHEMBL4200773	333.314	VWIPDSFNEXPEKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062403
Cn1ncc2c1CCCN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C2	EMOLS-id_276240613,MCULE-8604059581,ZINC22_585140248	333.318	AUDDWLOLKNZXGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062404
O=C(c1ccc(cc1F)[N+](=O)[O-])NCc1nnc2n1CCCCC2	PC-id_87021355	333.318	KVCWMXFXLBGJQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062405
O=C(N1CCCn2c(C1)cc(n2)N)Nc1c(F)ccc2c1OCO2	EMOLS-id_319094786	333.318	ISPVGUICMJHLBE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-062406
N#Cc1cc(CN(Cc2nnc3n2CCOCC3)C)c(cc1F)F	EMOLS-id_320274320,MCULE-1443472118	333.336	JHPSWCBMOXDTTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062407
CC(c1cccc2-c(c1)c(C#Cc1ccc(cc1)[N+](=O)[O-])c(=O)o2)C	PC-id_101789609	333.337	BFUUAMSRNJUIEP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-062408
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(C(=O)O)o1	PC-id_56900326,EMOLS-id_43131021,ZINC22_72432851,MCULE-9148384005	333.339	NMALBPKUBCGKTB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-062409
COC(=O)C1=NN(C(=O)n2c(C=C1C(=O)OC)ccc2)C(C)(C)C	PC-id_102064500	333.339	ZXJAGBZHYUDHNH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-062410
O=C(Nc1nc2-c(c1C=O)ccccc2)Nc1ccc(cc1)C(=O)C	PC-id_86229582	333.341	SLFRMUGITQDGLB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-062411
c1(c[nH]nc1C(=O)O)CN1CCCn2nc(CCC(=O)O)cc2C1	MCULE-9538236771,EMOLS-id_43058106,ZINC22_72422860,PC-id_56882305	333.342	JHXMFNSTIRWQOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062412
c1(C(=O)N2CCCn3nc(CO)cc3C2)cc(=O)n(c(=O)n1C)C	EMOLS-id_55617345,PC-id_91765212,MCULE-4877374404	333.342	IXGZEBGXYMATAW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-062413
Cc1cn(CC(=O)N2CCCn3nc(CO)cc3C2)c(=O)[nH]c1=O	MCULE-5153633931,EMOLS-id_55690367,PC-id_91790524	333.342	ZNWPFZMSWVWDOX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-062414
COc1ccc(C(=O)N2CCc3nn(C)c(=O)n3CC2)c(OC)n1	EMOLS-id_50586837,MCULE-9527332567,PC-id_91922386	333.342	LVDCRBZJXVKXNT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-062415
COc1nc(c(cc1)C(=O)NC1CCc2n[nH]c(=O)n2CC1)OC	PC-id_91922644	333.342	WKQGXRZHJZBBLA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-062416
[nH]1c(=O)ccn(CCC(=O)N2CCCn3nc(CO)cc3C2)c1=O	PC-id_91795147,MCULE-5481498345,EMOLS-id_55704042	333.342	CVEQYKZSCWEEMU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-062417
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCCOC	PC-id_19523847	333.349	DQHIETLMKGRLKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062418
O=C(N1CCc2c(CC1)cn(n2)CCC(F)(F)F)OC(C)(C)C	SCHEMBL21042245,PC-id_138671821	333.349	MJMIUHKZDGEVHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062419
O=C(N1CCn2c(CC1)cc(n2)CCC(F)(F)F)OC(C)(C)C	PC-id_145451662	333.349	SCJLSJTVGKJBQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062420
CCC(C(C(F)(F)F)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_318988460	333.353	KLMRREZDHLQALW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062421
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1cc(F)ccc1OC	PC-id_90652408,MCULE-9619231327,EMOLS-id_50544503	333.357	RHOOLNCFCASXJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062422
CC(c1nnc2n1CCC(CC2)C(=O)OC)Oc1ccc(cc1)F	MCULE-1199169039,EMOLS-id_316955456,PC-id_136557166	333.357	ONZUTSMCADYYFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062423
CCOCC(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_575404759	333.357	DIXFQQGIVWGEHE-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-062424
CCOCC(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_575404766	333.357	DIXFQQGIVWGEHE-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-062425
CCOCC(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_55751659	333.357	DIXFQQGIVWGEHE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-062426
COc1ccc(F)cc1C(=O)N1CCCn2nc([C@H](C)O)cc2C1	PC-id_100066819,ZINC22_221301442	333.357	RHOOLNCFCASXJV-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-062427
COc1ccc(F)cc1C(=O)N1CCCn2nc([C@@H](C)O)cc2C1	ZINC22_221301495,PC-id_100066820	333.357	RHOOLNCFCASXJV-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062428
COc1cc(F)ccc1CC(=O)N1Cc2ccnn2CCC1CO	EMOLS-id_313816366	333.357	LRWQVHDJTGBCDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062429
COc1cc(F)ccc1CC(=O)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585097441	333.357	LRWQVHDJTGBCDG-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062430
COc1cc(F)ccc1CC(=O)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585097446	333.357	LRWQVHDJTGBCDG-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062431
COCC1CCn2nccc2CN1C(=O)COc1ccc(F)cc1	EMOLS-id_313819940	333.357	JFLKWOIOOICAEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062432
COC[C@@H]1CCn2nccc2CN1C(=O)COc1ccc(F)cc1	ZINC22_585097257	333.357	JFLKWOIOOICAEU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062433
COC[C@H]1CCn2nccc2CN1C(=O)COc1ccc(F)cc1	ZINC22_585097259	333.357	JFLKWOIOOICAEU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062434
COC(=O)C1CCc2n(CC1)c(nn2)C(Oc1ccccc1F)C	EMOLS-id_313166147,MCULE-2523542199	333.357	IWBJJZHDTANHCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062435
COC(=O)[C@H]1CCc2nnc([C@@H](C)Oc3ccccc3F)n2CC1	ZINC22_601043801	333.357	IWBJJZHDTANHCA-NEPJUHHUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062436
COC(=O)[C@@H]1CCc2nnc([C@H](C)Oc3ccccc3F)n2CC1	ZINC22_601043810	333.357	IWBJJZHDTANHCA-NWDGAFQWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062437
COC(=O)[C@H]1CCc2nnc([C@H](C)Oc3ccccc3F)n2CC1	ZINC22_601043812	333.357	IWBJJZHDTANHCA-RYUDHWBXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062438
COC(=O)[C@@H]1CCc2nnc([C@@H](C)Oc3ccccc3F)n2CC1	ZINC22_601043814	333.357	IWBJJZHDTANHCA-VXGBXAGGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062439
COC(=O)[C@H]1CCc2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC1	ZINC22_601044150	333.357	ONZUTSMCADYYFH-NEPJUHHUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062440
COC(=O)[C@@H]1CCc2nnc([C@H](C)Oc3ccc(F)cc3)n2CC1	ZINC22_601044152	333.357	ONZUTSMCADYYFH-NWDGAFQWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062441
COC(=O)[C@H]1CCc2nnc([C@H](C)Oc3ccc(F)cc3)n2CC1	ZINC22_601044155	333.357	ONZUTSMCADYYFH-RYUDHWBXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062442
COC(=O)[C@@H]1CCc2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC1	ZINC22_601044156	333.357	ONZUTSMCADYYFH-VXGBXAGGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062443
S(=O)=Nc1c(c2-c(c1C(=O)OCC)ccccc2)C(=O)OCC	PC-id_85864884	333.359	KHPAPKAMNCSGNE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-062444
S(=O)=Nc1ccc2-c(c(cc2C(=O)OCC)C(=O)OCC)cc1	PC-id_11461746	333.359	LHHAYPXPMPFQLQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-062445
CCOc1ccc(c(c1)F)NC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-3329944425,EMOLS-id_319988074	333.361	XPLQIOYKHSEURR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062446
CCOc1cc(F)ccc1NC(=O)N1CCCn2nc(N)cc2C1	PC-id_136560675,EMOLS-id_316976752,MCULE-6618359438,ZINC22_1364075149	333.361	ABJJAVIVYSHWAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062447
CN(C)C(=O)CN1Cc2ccnn2C[C@H](Oc2ncccc2F)C1	ZINC22_248034653	333.361	UKCQKHJTPCUEGI-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-062448
CN(C)C(=O)CN1Cc2ccnn2C[C@@H](Oc2ncccc2F)C1	ZINC22_248034661	333.361	UKCQKHJTPCUEGI-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-062449
CN(C)C(=O)CN1CC(Cn2nccc2C1)Oc1ncccc1F	EMOLS-id_50017950	333.361	UKCQKHJTPCUEGI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-062450
COc1ccc(cc1F)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319400228	333.361	GNBHEKZGWVGIJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062451
COc1cc(C)c(cc1F)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318923687	333.361	XENNGWBODYAMIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062452
COc1ccc(NC(=O)NCc2nnc3n2CCCCC3)cc1F	EMOLS-id_35714374,PC-id_53519551,ZINC22_48450035,MCULE-5898787548	333.361	PLCYGIFGYQTHLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062453
COc1c(F)cccc1C(=O)NCCc1nnc2CCNCCn12	MCULE-9547620242,ZINC22_67847096,PC-id_56710645,EMOLS-id_36441242	333.361	LATKKCGPAZMERC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062454
Fc1ccc(cc1)OCCNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318837163	333.361	LRTSCPFTNCZVNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062455
FCCOc1cccc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319617712	333.361	OPCYZXDVNAMVMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062456
FCCOc1ccccc1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320037847,MCULE-4861787411	333.361	RGNMYEZIJGDLNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062457
NC(=O)CCN(Cc1nnc2n1CCOCC2)c1ccc(F)cc1	ZINC22_1614994885,MCULE-9473101126,EMOLS-id_320295374	333.361	UJILYKRJWDULNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062458
O=C(N1CCCn2c(C1)cc(n2)N)NCCOc1ccccc1F	EMOLS-id_319771011	333.361	SPCCANQLJYMBCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062459
S(=O)(=O)(N(CC(=O)OC)C)CC1n2c(noc2=O)CCCC1	PC-id_22901422	333.361	LCIBOMQCTKPXIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062460
Cc1noc2c1cc(cn2)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99304538	333.362	CFTLQUMTZCAVQJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-062461
O=[PH2]C(c1ccc2-c(cc1)c(c(c2C)NC(=O)C)C)(C(C)C)O	SCHEMBL8336352	333.362	LKTOLMAERIGCQB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-062462
s1c2CCCCCc2cc1C(=O)NN=Cc1oc([N+](=O)[O-])cc1	PC-id_78620815	333.362	YEQXPEXPYKIBTG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-062463
s1c2CCCCCc2nc1NC(=O)c1cc(O)c([N+](=O)[O-])cc1	PC-id_24611839	333.362	FOLZYHAVVYOZHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062464
Cc1cnnn1Cc1nnc2CN(CCCn12)C(=O)C1(F)CCC1	EMOLS-id_313733075,ZINC22_1565547266	333.364	HUECPJDPXQPANK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-062465
[O-][N+](=O)c1c(Sc2nc3-c(c2)ccccc3)nc2-c1ccccc2	PC-id_102298839	333.364	ACQQAONJIRUHQC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-062466
Cn1nc2CCN(CCn2c1=O)S(=O)(=O)c1ccc(cc1)C#N	PC-id_91910648,EMOLS-id_49731355,MCULE-6595693589	333.366	GRVVVZQNXJIOJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062467
O=c1[nH]nc2CCC(CCn12)NS(=O)(=O)c1ccc(cc1)C#N	PC-id_91910823,EMOLS-id_50586053,MCULE-8918988964	333.366	PTTWSEQGPPGAJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062468
O=S(=O)(c1cccc2c1occ2)NC1CCn2c(CC1)nnn2	EMOLS-id_102028655	333.366	GFBCVMCQNCEVSL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-062469
O=S(=O)(N[C@@H]1CCc2nnnn2CC1)c1cc2ccccc2o1	ZINC22_576336704	333.366	TVHKAJGIWMHPJR-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-062470
O=S(=O)(N[C@H]1CCc2nnnn2CC1)c1cc2ccccc2o1	ZINC22_576336707	333.366	TVHKAJGIWMHPJR-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-062471
O=S(=O)(c1c[nH]c2c1cccn2)NC1CCn2c(CC1)nnn2	EMOLS-id_102026668	333.369	ARMUPOLRGYDMNP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-062472
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccc(cc1)C(F)F	EMOLS-id_319278357	333.376	OBOMPFZLPLOPDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062473
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(c1ccc(cc1F)F)C	EMOLS-id_319015752	333.376	JIDSTRFTCVIDJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062474
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCc1c(F)cccc1F	EMOLS-id_320005936,MCULE-7571299377	333.376	YEEVBPGPDJLBTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062475
C=CCOC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2nccn2C1	ZINC22_2055708139	333.376	OYRHKSBLPDSMNA-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062476
C=CCOC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2nccn2C1	ZINC22_2055708140	333.376	OYRHKSBLPDSMNA-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062477
Fc1ccc(CN2CC(COCC=C)Cn3ccnc3C2)cc1F	EMOLS-id_313723358	333.376	OYRHKSBLPDSMNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062478
O=C(c1cccc(c1)C(F)(F)C)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319720152	333.376	LANJURYATXAHQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062479
O=C(c1ccccc1C(F)F)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319920576,MCULE-5472997550	333.376	UKQWPSDGYZCRKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062480
c1(NC(=O)c2ccccc2F)sc2c(CCCCC2)c1C(=O)O	CoCoCo_1754312,ChEMBL-DNDi_CHEMBL1408736,ChEMBL-DNDi_CHEMBL3759-1450,PC-id_3598780,EMOLS-id_6256365,CHEMBL1408736,MCULE-1268290500,ChEMBL-DNDi_CHEMBL6370688,BindingDB-id_113400,ZINC22_172996,BindingDB_PC-id_3598780,CK1663203	333.377	OGHNJJDPWLOSQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-062481
c1(NC(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)O	MCULE-9498561752,PC-id_28860384,EMOLS-id_179129609	333.377	OYRHZUKMIIYDHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-062482
c1(NC(=O)c2cccc(F)c2)sc2c(CCCCC2)c1C(=O)O	MCULE-8707524249,EMOLS-id_179129606,PC-id_28860381	333.377	FOMITHYSXBQBPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-062483
CCOC(=O)c1c2-c(ccccc2)c(c1O)C=Nc1ccc(cc1)C	PC-id_136814864	333.38	FAZACQJBCWSFTB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-062484
CCOC(=O)c1ccccc1NC(=O)Cc1cc2-c(c1)ccccc2	PC-id_139996505	333.38	KLWNSHJNDYKTIH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-062485
COc1cccc(c1)C(=O)CCCC(=O)c1c[nH]c2c1C#CCC=C2	SCHEMBL20827471,PC-id_138480440	333.38	ODEMFMZYQBMWHJ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-062486
COC(=O)c1cc(c2-c1ccccc2)C(=O)CNc1ccc(cc1)C	PC-id_101134820	333.38	HDHVTESXVUSSIR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-062487
O=C(NC(Cc1ccccc1)C(=O)O)c1c2-c(cc1)c(cccc2)C	PC-id_74330233	333.38	OENROABBXRUIBG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-062488
O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1c2-c(cc1)c(cccc2)C	PC-id_24841556	333.38	OENROABBXRUIBG-IBGZPJMESA-N	00000010100000110110000000000010000000000000000000000000	31-01-062489
c12CN(CCCn1nc(C(CC)O)c2)C(=O)c1ccc(OCC)o1	MCULE-4710930826,PC-id_90649807,EMOLS-id_50534951	333.382	QNWYCXZVBWZIIF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-062490
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Cc1ccc(C)c(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c1	EMOLS-id_33086138,PC-id_53182755,MCULE-9007807860	333.405	ASBMXMTUJDFHKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062598
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Cc1cccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c1C	MCULE-5668906106,PC-id_53182786,EMOLS-id_33086256	333.405	LRWXYVSIZCWXNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062600
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Cc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)cc1C	PC-id_53182794,MCULE-6004557593,EMOLS-id_33086294	333.405	WSSCYNJUMAEIIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062602
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)S(=O)(=O)C	EMOLS-id_319079261	333.405	GINBRZVCXKIMSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062604
Cc1sc2c(n1)CCCCN2C(=O)CNC(=O)c1ccoc1C	EMOLS-id_319408396	333.405	KIMPHPMEFLCQPP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-062605
CCc1ccccc1NS(=O)(=O)c1cc2C(=O)NCCCn2c1	EMOLS-id_33086260,PC-id_53182787,MCULE-3238403524	333.405	TUPTXNSWQBUREI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062606
CCc1cccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c1	EMOLS-id_33086180,PC-id_53182768,MCULE-1148831456	333.405	ICIOVHUAXWIADK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062607
CCc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)cc1	MCULE-3829885251,PC-id_53182831,EMOLS-id_33086450	333.405	HJNFOCXJDJQVAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062608
CCc1ncc(CN(C)C(=O)c2cc3c(o2)CCCNC3=O)s1	ZINC22_1875280490	333.405	NZYNFNVSYBAPMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062609
C[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_92439718,ZINC22_12828160	333.405	UAVNAGZUDJGOCS-SNVBAGLBSA-N	00000000101000000101000000000010000000000000000000000000	31-01-062610
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CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccccc1	PC-id_53182962,MCULE-2647039685,EMOLS-id_33087524	333.405	BJDZTLQFCDOKJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062612
CC(=O)c1ccc(cc1)S(=O)(=O)Cc1nnc2n1CCCCC2	EMOLS-id_278714800	333.405	HDKOKJJHGDJZMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062613
CN1CCCn2c(C1=O)cc(c2)S(=O)(=O)NCc1ccccc1	PC-id_53182862	333.405	AFFIAVOSGFGGTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062614
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccccc1C	PC-id_53182859,EMOLS-id_33086726,MCULE-7110881227	333.405	VFEWOPITUPWSJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062615
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cccc(C)c1	MCULE-9037908557,PC-id_53182860,EMOLS-id_33086730	333.405	GJPYFBZBXISARJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062616
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccc2c(c1)CCO2	EMOLS-id_101945994	333.405	KZXODIZZLYDFOS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-062617
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccc2c(c1)COC2	EMOLS-id_101948451	333.405	HCYBKFSYAYASOH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-062618
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cccc2c1OCC2	EMOLS-id_102000651	333.405	RKZIYZTUGYIEGZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-062619
CN(c1ccc(C)cc1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	MCULE-4356868897,PC-id_53182803,EMOLS-id_33086332	333.405	KBIAFFSFZZHDBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062620
COc1c[nH]c(cc1=O)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_319512404	333.405	ZDOADBMBRRJKRS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-062621
COC(=O)c1cc(nn1C)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_278218137	333.405	HIWGAQVHPKLWHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062622
COC(=O)c1nn(c(c1)NC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_319405486	333.405	MYKFGUNCENVTKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062623
COC(=O)c1sccc1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319470085	333.405	UHADGRZTDVJUCQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062624
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OCc1cc2CN(CCCn2n1)S(=O)(=O)/C=C/c1ccccc1	EMOLS-id_55690087	333.405	NIVQHAJQFGVCED-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062628
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Cc1nnc([nH]c1=O)NNC(=O)c1cc2c(s1)CCCCCC2	PC-id_135930579,CoCoCo_4583550,MCULE-8021713851,EMOLS-id_16793267	333.409	XGIRMIIOPHOVQM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-062652
CC(=O)c1cn(CC(=O)Nc2nc3c(s2)CCCCCC3)nn1	ZINC22_560086028,EMOLS-id_316910168,MCULE-3023974983	333.409	NYEFKJUBQIMANO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062653
CCOC(=O)c1cnc(Sc2nnc3n2CCCCC3)nc1C	EMOLS-id_48317788,MCULE-2626125556,PC-id_75400041,ZINC22_95460596	333.409	CPTRRVVXRLZCMQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-062654
Cn1cccc1C(=O)NC(=O)CSc1nnc2n1CCCCC2	MCULE-4049634233,ZINC22_8071206,CoCoCo_3081538,PC-id_16292427,EMOLS-id_3709220	333.409	XSUNTVKFHKFOAI-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-062655
CNC(=O)c1ccsc1NC(=O)N1CCCc2c(C1)cnn2C	MCULE-6777255975,EMOLS-id_320277595	333.409	IWRBZYCETHPCHO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062656
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Fc1cccc(c1)CN(C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112825180	333.424	HPPUQUKSGAREAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062688
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s1c2CCCCCc2nc1NC(=O)c1cc(F)c(N(C)C)cc1	PC-id_56167545	333.424	MAWDPYJDMFDTRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062693
s1c(CC(OS(=O)(=O)C)(C)C)c(c2c1OCCNC2=O)C	PC-id_20676179	333.424	OZNQZKUGSPLURV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062694
c1(C(=O)NCC2CCC(CC2)C(=O)OC)c2CCCCCc2[nH]n1	MCULE-1347350760,EMOLS-id_323255224	333.425	CRHKSXRAHUFOSE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062695
c1(C(=O)NC[C@H]2CC[C@@H](CC2)C(=O)OC)c2CCCCCc2[nH]n1	EMOLS-id_323254968,MCULE-7290056084	333.425	CRHKSXRAHUFOSE-JOCQHMNTSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062696
CC1CC(CN1C(=O)c1noc2c1CCCCC2)N1CCOCC1	EMOLS-id_98782292	333.425	CYASUGPNPRZVQI-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-062697
CCCN1CCN(C(C1=O)(C)C)C(=O)c1noc2c1CCCCC2	EMOLS-id_101008207	333.425	BCPZWAAEBFBYHJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062698
CC(CN1CCN(C(C1=O)C)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_100148840	333.425	YHOKNEOPPWIDEU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062699
CC(C(=O)N1CCCCC1C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111418385	333.425	GIFLCSLDHNOKJT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062700
CC(C(=O)N1CCCN(CC1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_111417474	333.425	WHNDCMMRFLPKDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062701
CC(C(=O)NC1CCCN(C1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_111406225	333.425	ZBIUEANNLWNHPV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062702
CC(C(=O)NC1CCN(CC1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_111417829	333.425	IMJGLXYNWIVJBU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062703
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O=C(N1CCCc2c(C1)cnn2C)NCCC(=O)N1CCCCC1	EMOLS-id_101728014	333.429	MYXSRONQHCBFEE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062826
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O=C(N1CC([C@@H]2[C@H]1COC2)(C)C)NCc1nnc2n1CCCCC2	EMOLS-id_101403133	333.429	KAPQRKZLGKRVSA-QWHCGFSZSA-N	00000010100000000101000000000110000000000000000000000000	31-01-062828
O=C(NC1CCCCC1)NCC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101846419	333.429	YDRDMXAFIHARKD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062829
O=C(NC1CCCCC1)NCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318793108	333.429	NWEWLYWPEJRLSQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062830
O=C(NCc1nnc2n1CCCCC2)CCC(=O)NC1CCCC1	EMOLS-id_98069691	333.429	ICXVXFWAQFAURI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-062831
O=C(NCc1nnc2n1CCCCC2)N(C[C@@H]1CCOC1)C1CC1	PC-id_94171747,ZINC22_48232140	333.429	JREPYHKTZVXIKK-ZDUSSCGKSA-N	00100010100000000101000000000010000000000000000000000000	31-01-062832
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s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCNC(=O)C1)C#N	PC-id_40803798	333.429	LYKBJMFEHWPOCZ-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-062835
c1ccc(cc1)CCc1nnc2n1CCN(CC2)Cc1cccnc1	PC-id_42423184,ChEMBL-DNDi_CHEMBL95160955	333.43	WZIUAHITAPUPCS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-062836
c1ccc(CN2Cc3ccnn3C[C@H](CNc3ccccn3)C2)cc1	ZINC22_248133475	333.43	YGJIZHVVHQRZGF-GOSISDBHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-062837
c1ccc(CN2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)cc1	ZINC22_248133476	333.43	YGJIZHVVHQRZGF-SFHVURJKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-062838
Cc1cccc(n1)CN1CCn2c(CC1)nnc2Cc1ccccc1	CoCoCo_1221622,CoCoCo_1221621	333.43	PXMDXKFBWWFHDH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-062839
C=CCN(Cc1nc2c([nH]1)cccc2)Cc1nc2c([nH]1)CC=CCC2	PC-id_143167602	333.43	XXAFLAOOADJXOE-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-062840
CN(c1ccccc1)c1ccc(CN2CCc3nncn3CC2)cc1	EMOLS-id_232718589,MCULE-8337008588,PC-id_28953519,ZINC22_20449331	333.43	QIXYZPZXJKCLOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062841
C(Nc1ccccn1)C1CN(Cc2ccccc2)Cc2ccnn2C1	EMOLS-id_50375583	333.43	YGJIZHVVHQRZGF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-062842
c1cc(c2noc(CSc3nnc4n3CCCCC4)n2)cs1	MCULE-6432486310,PC-id_17447218,ZINC22_14120415,CoCoCo_4173183,EMOLS-id_13492836	333.432	VHCOBQHUOWORFE-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-062843
c1csc(c2nc(CSc3nnc4n3CCCCC4)no2)c1	EMOLS-id_29976635,MCULE-9231292821,PC-id_45799286,CoCoCo_4328178,ZINC22_40474153	333.432	IJYPEOSIJAJRCH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-062844
c1csc(c2noc(CSc3nnc4n3CCCCC4)n2)c1	EMOLS-id_3536193,MCULE-8447679044,ZINC22_6880528,CoCoCo_3654422,PC-id_8105828	333.432	BESHQTVJXYSEIN-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-062845
c1(NC(=O)CSc2n[nH]cn2)sc2c(CCCCC2)c1C#N	BindingDB-id_72505,CoCoCo_2956967,ChEMBL-DNDi_CHEMBL1370991,BindingDB_PC-id_972733,CoCoCo_1008398,EMOLS-id_2004806,ChEMBL-DNDi_CHEMBL7861849,ZINC22_6078953,MCULE-3679039210,CoCoCo_1008399,CHEMBL1370991,CoCoCo_2956968,PC-id_972733,CoCoCo_2956965,CoCoCo_2956966,CoCoCo_1008400	333.432	XGHUJWTXGMRXEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062846
CC1CC(CN1C(=O)NC1CCn2c(CC1)nnn2)N1CCCC1	EMOLS-id_102161113	333.432	JIDIWDGISHMBLX-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-062847
CC1CN(CCN(C1)C1CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161371	333.432	IIRITPKAJCCQIT-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-062848
CCN1CCC2N(C(C1)CC2)C(=O)NC1CCc2n(CC1)nnn2	EMOLS-id_102165052	333.432	RNRGXTROBXPFAW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-062849
CN(C)CCOCc1nnn2c1CN(Cc1cnn(C)c1)CCC2	EMOLS-id_46147943,ZINC22_96058823,PC-id_97381480	333.432	ANFMJXOPWVFMSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062850
CN(CCOCc1nnn2c1CN(CCC2)Cc1nccn1C)C	PC-id_97405178	333.432	HHNIOEVIOXYZTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062851
CN=C(N1CCN(CC1)C(=O)C)NCc1nnc2n1CCCCC2	PC-id_119115969	333.432	OZMFFZRXNCVOFR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062852
N#Cc1ccsc1NC(=O)CSc1nnc2n1CCCCC2	PC-id_7876884,MCULE-6233014587,EMOLS-id_3687079,CoCoCo_3081639,ZINC22_6097436	333.432	JVADDRJMFKMDMW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062853
O=c1cc(CSc2nnc3n2CCCCC3)nc2sccn12	ZINC22_6097327,PC-id_7876811	333.432	DECALHXRKZPZMJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-062854
O=c1[nH]c(CSc2nnc3n2CCCCC3)nc2ccsc12	EMOLS-id_3705009,PC-id_135788227,CoCoCo_3081871,MCULE-1366180068,ZINC22_8216731	333.432	GIDDCCWDGUQSTI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-062855
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O=C(N1CCC(C1)N1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102163237	333.432	FDMZDZJNWRRDEF-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-062859
O=C(N1CCCc2c(C1)cnn2C)Nc1nc2c(s1)scc2	EMOLS-id_101963544	333.432	QZJAJROHDRDIHB-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-062860
O=C(N1CCN(CC1)C1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183267	333.432	KORLKPCWYRNVBX-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-062861
O=C(NC1CCn2c(CC1)nnn2)NC1CCN(CC1)CC(=C)C	EMOLS-id_102176627	333.432	SKFWZWQVTJGPGM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062862
O=C(NC1CCn2c(CC1)nnn2)NCC1CCCCN1C1CC1	EMOLS-id_102173174	333.432	RCLNQPIXHHAIID-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-062863
S(c1n2CCCCCc2nn1)CC1=NC(=O)C2SC=CC2=N1	PC-id_84987433	333.432	RGNHUHDQMFQJJA-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-062864
BrC1CCCCc2c1noc2C(Cl)(Cl)Cl	PC-id_42632085	333.437	DRDYCZCPSHCOER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062865
COC1=CC(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)C=CC1=[OH+]	PC-id_101554683	333.443	NSTZFQPHHOARFT-UHFFFAOYSA-O	00000010100011000110000000000010000000000000000000000000	31-01-062866
COC1=CC=CC(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)C1=[OH+]	PC-id_101537078	333.443	DFFVEFROJKJCML-UHFFFAOYSA-O	00000010100011000110000000000010000000000000000000000000	31-01-062867
c1(C(=O)OCC)c2CCCCCc2sc1NC1=CC(=O)CCC1	PC-id_3590350,CK3088230,ZINC22_4601581,EMOLS-id_6797130,MCULE-6697366898	333.445	DPFJZEFTMJLIEH-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-062868
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OC(=O)C1C2CCCC2CN1C(=O)c1cc2c(s1)CCCCC2	PC-id_121642983	333.445	DLUPPRQBGNRQHU-UHFFFAOYSA-N	00000010100000000100000000000110000000000000000000000000	31-01-062870
OC(=O)[C@H]1CN(C[C@@H]1C1CC1)C(=O)c1cc2c(s1)CCCCC2	PC-id_120979625	333.445	JQFGANQBMWSWGA-KGLIPLIRSA-N	00100010100000000100100000000010000000000000000000000000	31-01-062871
COc1ccccc1N1CC[NH+](CC1)Cc1ccc2-c1ccccc2	PC-id_40432392,GD-id_ZINC00154493	333.447	MNVDCQLMHFFYCU-UHFFFAOYSA-O	00000010100010110111100000000010000000000000000000000000	31-01-062872
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c1(C(=O)NCc2cncn2CCOC)cc2c(CCCCC2)s1	MCULE-9975996371,ZINC22_219909634,EMOLS-id_55644054,PC-id_91774578	333.448	WHJWTEXUIBSRIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062874
c1(NC(=O)CCN2CCOCC2)sc2c(CCCCC2)c1C#N	PC-id_705921,MCULE-5681073572,EMOLS-id_3064406,CoCoCo_3566318,ZINC22_19902701	333.448	TWAUSWMOJUDXAG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062875
c1(sc2c(CCCCCC2)n1)NC(=O)C1CC(=O)N(CC=C)C1	EMOLS-id_316204021,MCULE-7339941663,PC-id_134710458	333.448	XANHQTHRPWIAFA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-062876
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CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CCCc1ccccc1	EMOLS-id_319659762	333.448	ZTWWVZOKXYKSRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062878
Cc1ccc(cc1C)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948610	333.448	VCENAXDJLCABLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062879
Cc1cc(C)c(c(c1)C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945883	333.448	XXDKJKDEYXNHNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062880
Cc1ccsc1C(=O)N1CCCn2cnc(COC(C)C)c2C1	PC-id_97520010,EMOLS-id_44371396,ZINC22_96259930	333.448	ZWWJVQXGUWLBOT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062881
CC1CN(Cc2c(C1)[nH]nc2)C(c1ccc(cc1)S(=O)(=O)C)C	EMOLS-id_319546066	333.448	CALIDFQAZSQEEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062882
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CC(c1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101945943	333.448	IPGJPPBMLFEXQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-062884
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CC(c1scc(n1)CCNC(=O)c1noc2c1CCCCC2)C	EMOLS-id_100108440	333.448	SOWHEBOZWMKLIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062886
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CC(C)Cn1[nH]c(CC(=O)N2CCCCc3sccc23)cc1=O	ZINC22_935790001,MCULE-4364538009,EMOLS-id_316994468	333.448	OKVUZQFOJXTENC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-062890
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CC[C@H](O)c1cc2n(n1)CCCN(Cc1csc(C(=O)C)c1)C2	ZINC22_221333406,PC-id_100067088	333.448	DTNOLSVFWBACIG-INIZCTEOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-062893
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C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1	CoCoCo_4433366,ZINC22_29683893,CoCoCo_4433367	333.448	ISBJNEXURVRYBW-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062901
C[C@@H]1COCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4840174,ZINC22_26451070,CoCoCo_4840175	333.448	QSJBHLLEGYZVMJ-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-062902
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O=C(c1nc2c(s1)CCN(CC1CCCC1)CC2)N1CCCC1	PC-id_97462047,EMOLS-id_44325479,ZINC22_96187589	333.491	JLKJPFBEWSNGEL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063174
O=C(Nc1sc2c(n1)CCCCCC2)CC1CC2CCC(C1)N2	MCULE-5135880794,PC-id_119743817,EMOLS-id_302126639	333.491	JYQJIDAEBNVGLI-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-063175
s1c2CCCCCc2c(c1NC(=O)CCN(CCCC)C)C#N	PC-id_27068506	333.491	XMOILHMLQRTKMX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063176
s1c2CCCCCc2c(c1NC(=O)CCN(C(CC)C)C)C#N	PC-id_56482403	333.491	DCZJZIABXYUCEV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063177
s1c2CCCCCc2c(c1NC(=O)CN(CCCC)CC)C#N	PC-id_34602713	333.491	MQHCEJWFPVFSTM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063178
Cc1ccc(CN2CCc3nnc(CN(C)C(C)C)n3CC2)s1	PC-id_97381608,ZINC22_96058952,EMOLS-id_46148201	333.495	SCOVDAYMOHIVCY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-063179
Cc1nc(CN2CCc3ncc(CN(C)C(C)C)n3CC2)cs1	ZINC22_96196842,EMOLS-id_44328615,PC-id_97466987	333.495	LWEVULXNHZQLKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063180
CC(C)(C)c1ncc(CNCCc2nnc3n2CCCCC3)s1	ZINC22_67698422,MCULE-9462689032,PC-id_72024231,EMOLS-id_48998104	333.495	DTTOILNDRBYFFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063181
CC(C)(C)c1nc(CNCCc2nnc3n2CCCCC3)cs1	PC-id_71879715,EMOLS-id_45757552,MCULE-4119546940,ZINC22_67698140	333.495	HXCGWGOXIUCQBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063182
CCN(CC)Cc1cnc2CCN(Cc3csc(C)n3)CCn12	ZINC22_96196826,EMOLS-id_44328583,PC-id_97466971	333.495	AVJDUFMRXDGGLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063183
S1CC(=NNC(=O)CC#N)CSc2sc(=S)sc12	PC-id_6618637	333.496	SATUFZZXVGWYHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063184
CCCCC1CCCCCCc2c1cc(n2C(=O)OC(C)(C)C)C	PC-id_102274165	333.508	PAGXYOCOQMCUOT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063185
CCc1cc(cnc1NC(=O)c1coc2c1C(=O)NCCC2)Cl	PC-id_136570577	333.77	CLYAMOTZJMNPKA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-063186
Clc1ccc(C(=O)N2CCCn3c(C2)cc(c3)C(=O)NO)cc1	PC-id_58465727,SCHEMBL12210565	333.77	HTERGWHBQJSBCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063187
Clc1cc(CN2CCCn3c(C2=O)cc(c3)C(=O)NO)ccc1	SCHEMBL12210931,PC-id_58465631	333.77	DZFBJLLNAYXETL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063188
O=C(c1cc(Cl)c2c(c1)OCO2)N1CCCc2c(C1)cnn2C	EMOLS-id_101668273	333.77	WPJNDXNCNMLNDE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-063189
Clc1cnc2cc(nn2c1)C(=O)N1CCc2ncsc2CC1	BindingDB-id_300536,SCHEMBL15282968,PC-id_71748062,TT-id_D0K4LQ,BindingDB_PC-id_71748062	333.796	UNBIVDPTRGTTPR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-063190
CCC(C(=O)N1CCCc2c(C1)cco2)(c1cccc(c1)Cl)O	EMOLS-id_318751003	333.809	DRZRLUOJPVQSMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-063191
c12CN(CCCc1n(nc2)C)C(=O)COc1ccc(c(C)c1)Cl	AOP-19423352,EMOLS-id_368184,ZINC22_12236021,MCULE-6326857903,PC-id_92427956	333.813	XNZZEOZZECIITR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063192
c1(CN(C)C(=O)c2ccc(c(Cl)c2)O)c2CCCCCc2[nH]n1	EMOLS-id_49879412,MCULE-6788666877,PC-id_77085991,ZINC22_215551035	333.813	ZRWCOVOYZAGMCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063193
c1(C(=O)NCCOc2ccc(cc2)Cl)c2CCCCCc2[nH]n1	EMOLS-id_323254962,MCULE-3417916856	333.813	FXVPNDNTUXTBRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063194
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCCn2cncc2C1	PC-id_95730469,ZINC22_72174515	333.813	VZSAJYSHGUPZSL-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063195
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCCn2cncc2C1	ZINC22_72174516,PC-id_95730470	333.813	VZSAJYSHGUPZSL-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063196
Cc1cc(O)c(cc1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)Cl	EMOLS-id_318915122	333.813	OBBCTAFSUSEOPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063197
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Cc1ccccc1Cl)O	EMOLS-id_319686890	333.813	NZNLLWJHFFEOSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063198
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCOc1cccc(c1)Cl	MCULE-1771748437,EMOLS-id_319914144	333.813	GTDYSDGBYWJMDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063199
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1ccc(c(c1)C)Cl	EMOLS-id_320168986,MCULE-4722596653	333.813	HJZGPPZPUSPOJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063200
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Oc1cccc(c1)Cl)C	EMOLS-id_319687368	333.813	SJSYXLGLZDNRLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063201
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COCc1cccc(c1)Cl	EMOLS-id_319078007	333.813	UXXXPQGIRDYMSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063202
CC(Oc1ccc(Cl)cc1C)C(=O)N1CCCn2cncc2C1	PC-id_56919169,EMOLS-id_43185077,MCULE-5117325660	333.813	VZSAJYSHGUPZSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063203
CCOc1cc(Cl)ccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320211665,MCULE-7458736088	333.813	RAGDYSIXXDTCIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063204
Clc1cccc(c1)OC(C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_318355791	333.813	SXYVMTZPNYFFHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063205
Clc1cc(NC(=O)Cn2nc3CCCCCc3c2)ccc1OC	PC-id_20892468	333.813	UTXOIHBWJIXVFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063206
Clc1cc(NC(=O)Cn2nc3CCCCCc3c2)c(OC)cc1	PC-id_20892464,CoCoCo_2192301	333.813	VVDRXCFNZUFDBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063207
Cn1ncc2c1CC(C)(C)CN(C(=O)c1ccc(Cl)c(O)c1)C2	ZINC22_1647902901	333.813	OHOAUFVSYKYMFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063208
COc1ccc(cc1CC(=O)N1CC(C)Cc2c(C1)cn[nH]2)Cl	EMOLS-id_319611832	333.813	KAILNKPGUPIESG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063209
COc1cc(Cl)c(C)cc1NC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_335023770,MCULE-8470553765	333.813	PBQWFUDHVRXRFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063210
COC1CN(Cc2ccnn2C1)C(=O)CCc1ccccc1Cl	EMOLS-id_50011430	333.813	UMBKLEMVASKZJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063211
COC1CN(Cc2ccnn2C1)C(=O)CCc1ccc(Cl)cc1	EMOLS-id_50009064	333.813	LSLAYARAADBSLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063212
CO[C@H]1CN(C(=O)CCc2ccccc2Cl)Cc2ccnn2C1	ZINC22_247894635	333.813	UMBKLEMVASKZJO-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063213
CO[C@@H]1CN(C(=O)CCc2ccccc2Cl)Cc2ccnn2C1	ZINC22_247894639	333.813	UMBKLEMVASKZJO-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063214
CO[C@H]1CN(C(=O)CCc2ccc(Cl)cc2)Cc2ccnn2C1	ZINC22_247843393	333.813	LSLAYARAADBSLN-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063215
CO[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)Cc2ccnn2C1	ZINC22_247843395	333.813	LSLAYARAADBSLN-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063216
O=C1NCC(Cc2c1cn(n2)CCOc1ccccc1Cl)(C)C	MCULE-1229767124,EMOLS-id_316451869	333.813	ABKXTRGHPYMPJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063217
OC(c1ccc(Cl)cc1)CNC(=O)c1c2c(CCCCC2)[nH]n1	MCULE-9789092605,EMOLS-id_335034011	333.813	KWJQPHZGYGDPSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063218
OCC1CCn2nccc2CN1C(=O)CCc1ccc(Cl)cc1	EMOLS-id_313816110	333.813	IFVCCZNZGGEFJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063219
O=C(CCc1ccc(Cl)cc1)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585097176	333.813	IFVCCZNZGGEFJT-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063220
O=C(CCc1ccc(Cl)cc1)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585097177	333.813	IFVCCZNZGGEFJT-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063221
c1(CN(C)C(=O)Nc2ccc(nc2)Cl)c2CCCCCc2[nH]n1	EMOLS-id_48629094,PC-id_72862035,MCULE-5238543761,ZINC22_95504481	333.816	KHAMJHQFWVFCSL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-063222
CCc1ncc(c(n1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)Cl	EMOLS-id_319689716	333.816	OFXRKGKSDNXPNY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-063223
CC(c1ncc(c(n1)C(=O)N1CCCc2c(C1)cnn2C)Cl)C	EMOLS-id_101671298	333.816	UOWZOPIURSFJQU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-063224
C[C@@H](NC(=O)Nc1ccccc1Cl)c1nnc2n1CCCCC2	MCULE-4932276163,EMOLS-id_32171937,PC-id_51108286,ZINC22_58283366	333.816	VTKAWFBRRXNKDB-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063225
CCNc1ncc(cc1Cl)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318724469,MCULE-2973627487	333.816	UEAHMOCDLAWYKA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-063226
CCNc1ncc(cc1Cl)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319476313	333.816	LGOZANHFXITFKG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-063227
CC(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)Cl	CoCoCo_1203569,ChEMBL-DNDi_CHEMBL19350909,PC-id_42340216,CoCoCo_1203570	333.816	GHXCAIPWYIYSQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063228
Clc1ccc(cc1)CCNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318979593	333.816	SFEICIAWAWDQBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063229
Clc1cccc(c1)CCNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319083154	333.816	KXPFHJVXEKMSHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063230
Clc1cc(C)c(c(c1)C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318851180	333.816	COIPGZZZKZCYFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063231
Clc1cc(NC(=O)NCc2n3CCCCCc3nn2)ccc1C	PC-id_51185992	333.816	VPNFWUUOABATTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063232
Clc1cc(NC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_16609027	333.816	RJYXGIWQQAAHQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063233
Clc1c(NC(=O)NC(c2n3CCCCCc3nn2)C)cccc1	PC-id_75617269	333.816	VTKAWFBRRXNKDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063234
CN(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(Cl)cc1	PC-id_40111046,ZINC22_32876218,CoCoCo_4490607,EMOLS-id_24151718,MCULE-3259193716	333.816	MPZGQXOCYUHIFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063236
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1N(C)C)Cl	EMOLS-id_316709795	333.816	LJIQZTWQOVGMKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063237
O=C(N1CCCn2c(C1)cc(n2)N)NCc1ccc(c(c1)C)Cl	EMOLS-id_319608386	333.816	MRRYSXUSHGMKAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063238
O=C(N1CCCn2c(C1)cc(n2)N)N[C@@H](c1ccccc1Cl)C	MCULE-6100822136,EMOLS-id_320046989	333.816	NWIBFCOXBKZUII-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063239
O=C(N1CCn2c(C1C)ccc2Cl)C1CCn2c(CC1)nnc2	MCULE-9657394978,EMOLS-id_258085273	333.816	WKFMLRYRFGZXOY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-063240
O=C(NCc1ccccc1Cl)NCc1nnc2n1CCCCC2	MCULE-6758081526,ZINC22_45570720,EMOLS-id_35698458,PC-id_53498775	333.816	HJFWEDDENTYZKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063241
O=C(NCc1ccc(Cl)cc1)NCc1nnc2n1CCCCC2	EMOLS-id_24042220,ZINC22_32801966,MCULE-9093552606,PC-id_40034923,CoCoCo_4790763	333.816	YRGWZMCNARBIBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063242
O=C(NCCc1nnc2n1CCCCC2)Nc1ccc(Cl)cc1	CoCoCo_4490662,PC-id_16609026,MCULE-9004048070,EMOLS-id_43426209,ZINC22_12820365	333.816	PGQWIQGNWDWHBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063243
Clc1ccc(s1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026482	333.818	DMAXLRRPCRNOBR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-063244
Clc1ccsc1S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028670	333.818	WWQFSQBCKCAHQZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-063245
Clc1cn2cc(nc2cc1)CSc1n2CCCCCc2nn1	PC-id_7876825	333.839	PZXUJCRTHRRZQT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-063246
CCC(c1nnc2n1CCCCC2)NC(c1ccc(cn1)Cl)C	EMOLS-id_318356229	333.859	XPVXSOKYCVHDPQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-063247
Cn1ncc2c1CC(C)(C)CN(Cc1c(Cl)n[nH]c1C1CC1)C2	ZINC22_895485796	333.859	IGRIDKATAOCKLT-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-063248
c1(C(=O)NCCc2ccc(cc2)Cl)csc2CCCCCc12	EMOLS-id_16062751,PC-id_20881831,CoCoCo_2171515,ChEMBL-DNDi_CHEMBLC760-0910,MCULE-8715664746	333.875	VNGHKOQHKKEDOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-063249
Cc1cc(C)c(NC(=O)c2cc3c(s2)CCCCC3)c(Cl)c1	CoCoCo_3304456,ZINC22_3428142,PC-id_2547590,EMOLS-id_3370620,MCULE-9208704000	333.875	IFWUOQXJKBLISF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-063250
Cc1c(c2ccc(c(=O)c(c2o1)O)Br)Br	PC-id_136695038	333.961	GVHPEQKSUMEHDI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-063251
Cc1cc2c(cc(c(=O)c(c2o1)O)Br)Br	PC-id_136695040	333.961	MHFPSUYEESIQLS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-063252
CC1=C(C2=CC=CC=C(C2=C1C(=O)C3=CC=CC=C3)OC)CC(=O)O	PC-id_153789391	334.121	MJOUNLJZZWBIKV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-063253
C1CCCC2=C(CC1)C(=C(S2)NC(=O)CC3OCCCO3)C#N	PC-id_154756416,MCULE-1002863032,EMOLS-id_257859496	334.135	IZYAGWVCIUVVIR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063254
CC(C)N1C2=C(CCN(CC2)CC3=CN=C(S3)NC(=O)C)N=N1	PC-id_154685744	334.158	KBBNSJMMFZFDAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063255
CC(C)(C)OC(=O)N1CCC2=C(C(=C(N2CC1)C(=O)OC)N)C#N	PC-id_154539694	334.164	SVSFWRGBJFFGBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063256
C[C@H]1CC2=C(CCC1CCC(=O)OC(C)(C)C)SC(=C2C#N)N	PC-id_164130904	334.171	YNRFZUVUHOVEIV-PXYINDEMSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063257
P(PP)(P)n1nnc2c1C(=O)N(CCCC)CC=C2	PC-id_20872181	334.171	BDWPQTFTPKTMOF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-063258
Ic1c2-c(ccc(C(C)(C)C)cc2)c(c1)C#C	PC-id_86235278	334.195	AHMDGVLNWCKMMP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-063259
CC(C)(C)OC(=O)N1CCCN2C(=CC(=N2)C(=O)N3CCCC3)C1	PC-id_164799135	334.2	HPKMPYUNZZEHSD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063260
Clc1c(NCn2nc(c3c2c(=O)cccc3)C)ccc(Cl)c1	PC-id_10336949	334.2	DNHMCMFVCOUYBX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-063261
Brc1ccccc1NC(=O)c1n[nH]c2CCCCCc12	MCULE-7646649246,EMOLS-id_323255989	334.211	DIPUMROWSQGAOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063262
Brc1cccc(NC(=O)c2n[nH]c3CCCCCc23)c1	MCULE-5132620256,EMOLS-id_323251902	334.211	ROARNTHIHJFMOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063263
Brc1ccc(NC(=O)c2n[nH]c3CCCCCc23)cc1	EMOLS-id_335054999,MCULE-2098133919	334.211	SAZMDAYASFQAAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063264
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)Br	EMOLS-id_319000656	334.211	DRMNGXVMPBSLKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063265
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1Br	EMOLS-id_319561598	334.211	GRIHBBSCDGPPQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063266
FC(F)(F)C(=O)c1c(c(c2-c1ccccc2)C(=O)C(F)(F)F)C	PC-id_86252812	334.213	PAJVKMUQGDCGCG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-063267
Brc1c2OCCN(Cc2sc1)C(=O)OC(C)(C)C	PC-id_67959348,SCHEMBL9903677	334.229	WHMZSZMDPUSSPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063268
Brc1sc2c([C@@H](OC)CN(CC2)C(=O)OCC)c1	SCHEMBL3002088,PC-id_68473027	334.229	YBCJABJDOSJWKL-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-063269
Brc1sc2c([C@H](OC)CN(CC2)C(=O)OCC)c1	SCHEMBL3002089,PC-id_68473028	334.229	YBCJABJDOSJWKL-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063270
Brc1sc2CCN(CCc2c1OC)C(=O)OCC	PC-id_68470337,SCHEMBL2995547	334.229	RVCBVOZIVZIKJO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063271
Brc1sc2C(CN(OC(=O)OCC)CCc2c1)C	SCHEMBL4431701,PC-id_69041378	334.229	BDBCEWNRDADWSN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063272
Brc1sc2c(C(OC)CN(CC2)C(=O)OCC)c1	PC-id_68473026,SCHEMBL3002087	334.229	YBCJABJDOSJWKL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063273
Brc1sc2c(OC(CN(C2)C(=O)O)C)c1C(C)C	PC-id_77438588	334.229	MKQNZCXECFKWCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063274
Brc1sc2c(O[C@H](CN(C2)C(=O)O)C)c1C(C)C	SCHEMBL9903024,PC-id_67959143	334.229	MKQNZCXECFKWCL-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063275
BrC(CSc1n2CCCCCc2nn1)C(=O)OC	EMOLS-id_315580739,PC-id_81091273	334.233	BKYIHFMOWRGAGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063276
CCC(C1=NN=C2N1CCCCC2)NC(=O)NCC3(CCC3)NC	MCULE-1328704958,PC-id_154772987,EMOLS-id_317382167	334.248	YYDWJHAUEFTDHL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-063277
CC(C)N1CCCN(CC1)C(=O)NCC2=NN=C3N2CCCCC3	EMOLS-id_110470417,MCULE-1156172630,PC-id_154747587	334.248	FVLCIKSFDKIYIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063278
C[C@H](C1=NN=C2N1CCCCC2)NCCC(=O)N3CCN(CC3)C	EMOLS-id_257924702,MCULE-2016148320,PC-id_154759612	334.248	CXLHDTVWKBQNAM-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063279
O=C([N+]1(Br)CCc2c(CC1)ncs2)OC(C)(C)C	SCHEMBL15282855	334.253	GNEFDNYJOBHUTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063280
CNC1CCCCc2c1cn(c2)Cc1ccc(cn1)Br	PC-id_104801387	334.254	DNLKMIYKRFARLV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-063281
CNC1CCCCc2c1cn(c2)Cc1cncc(c1)Br	PC-id_104801388	334.254	BXDSWUVDLBJVJB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-063282
CNC1CCCCc2c1cnn2Cc1ccc(cc1)Br	PC-id_107384482	334.254	VQZXFCNPGHHPQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063283
CNC1CCCCc2c1cnn2Cc1cccc(c1)Br	PC-id_107384485	334.254	HUAYCIITQSRDKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063284
CNC1CCCCc2c1cnn2Cc1ccccc1Br	PC-id_107384488	334.254	DHRSCDQMUDDTLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063285
OCC(C(F)(F)F)NC(=O)c1coc2c1C(=O)NCC(C2)(C)C	EMOLS-id_319274258	334.291	VYPWLRIPXRACSV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063286
CCC(NC(=O)c1cc2c(s1)CCCCC2)(CCl)CCl	PC-id_107867526	334.304	KLLFZNUQMJUWKW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063287
Cc1cc(F)c(CNC(=O)c2coc3c2C(=O)NCCC3)c(F)c1	ZINC22_885785016,MCULE-9560698023,PC-id_136566175,EMOLS-id_316986042	334.317	VBPJQIALTDRZDH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-063288
O=C(c1coc2c1C(=O)NCCC2)NCC(c1ccccc1)(F)F	EMOLS-id_316994170,PC-id_145882145,MCULE-8913375314	334.317	JVYOSDIERGGIPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-063289
c1(C(=O)N)cn2c(CCN(CC2)C(=O)Cc2cccc(F)c2F)n1	EMOLS-id_331142678,MCULE-2809451741,ZINC22_1875248068	334.321	WMEPHUIQVKVYCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063290
O(C(c1c2-c(oc1=O)ccccc2)c1c2-c(oc1=O)ccccc2)C	PC-id_85862552	334.322	DIBHBPIQCDJVLU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-063291
c1(C(=O)O)coc(CN2CCCn3nc(CCC(=O)O)cc3C2)n1	ZINC22_72411163,EMOLS-id_43061754,PC-id_56883202,MCULE-1522025556	334.327	MCDUNBOJGVMPDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063292
[O-][N+](=O)c1ccccc1SN1CCCn2c(C1)cc(n2)C(=O)O	PC-id_144264814	334.35	VWNMNYFFVUEDFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063293
[O-][N+](=O)c1ccc2c(c1)sc(n2)N=Nc1ccc2-c1ccccc2	PC-id_101494217	334.352	RKARJPFABMNDDU-UHFFFAOYSA-N	00000010100000100111000001000010000000000000000000000000	31-01-063294
c1(CN(C)C(=O)Nc2ccc(cc2F)F)c2CCCCCc2[nH]n1	EMOLS-id_68881761,MCULE-6436059439,ZINC22_299761711,PC-id_118766297	334.364	XMTIELQKJBOHQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063295
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1ccc(cc1F)F)C	EMOLS-id_320296250,MCULE-5588605563	334.364	FYAGDUPMLFUZTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063296
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1cc(F)ccc1F)C	EMOLS-id_319489345	334.364	KUEULUKOGSCUJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063297
CC1CN(CC(=O)NCc2cc(F)cc(c2)F)Cc2c(C1)[nH]nc2	EMOLS-id_319122933	334.364	QKUTYQXYLPQZFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063298
CC(c1ccc(c(c1)F)F)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_317959364	334.364	KQXJZTGPCFLONZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063299
CN(C)C(=O)C1CN(Cc2ccc(F)c(F)c2)Cc2ccnn2C1	EMOLS-id_313724635	334.364	KBACGXOQCNBSCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063300
CN(C)C(=O)[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn2C1	ZINC22_2055713236	334.364	KBACGXOQCNBSCJ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063301
CN(C)C(=O)[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn2C1	ZINC22_2055713237	334.364	KBACGXOQCNBSCJ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063302
Fc1ccc(c(c1)F)[C@@H](NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101725521	334.364	AZUFBHZYEOVYDM-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-063303
Fc1ccc(c(c1)F)[C@H](NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101726232	334.364	AZUFBHZYEOVYDM-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063304
Fc1ccc(CNC(=O)CCc2cc3CNCCCn3n2)cc1F	EMOLS-id_43165546,ZINC22_72475697,MCULE-6748740833,PC-id_70774473	334.364	OBXKUGZKMPPERG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063305
O=C(c1ccc(c(c1F)F)C)NCCc1nnc2n1CCCCC2	EMOLS-id_318715384	334.364	ICHQEJNQYPYVGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063306
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(cc1)C(F)(F)C	MCULE-9275118961,EMOLS-id_320270873	334.364	PPLSKHZQEVQHLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063307
O=C(CCc1ccc(F)c(F)c1)NCc1nnc2n1CCCCC2	MCULE-4989215690,CoCoCo_4820919,EMOLS-id_31898884,PC-id_45812135,ZINC22_40508494	334.364	LQBUQTVGMZUBJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063308
O=C(C(N1CCCc2c(C1)cnn2C)C)Nc1ccc(c(c1)F)F	EMOLS-id_317982019	334.364	PHWWDLLZCUYIIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063309
O=C(N1CCCc2c(C1)cnn2C)NC(c1cccc(c1F)F)C	EMOLS-id_101714909	334.364	SJBPSUVBAHYSQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063310
O=C(N1CCCc2c(C1)cnn2C)NC(c1c(F)cccc1F)C	EMOLS-id_101714393	334.364	YYYNUJCAXHRLOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063311
COC(=O)c1nc2c(s1)N(C(=O)c1cccc(F)c1)CCCC2	ZINC22_1875320946	334.365	OPMZLEQJVNCICX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063312
N#Cc1ccc(c(c1)CS(=O)(=O)N1CCCc2c(C1)cco2)F	EMOLS-id_99301729	334.365	CXEPKIDSAICRGG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-063313
O(CC(=O)c1c2-c(c(c1)C)ccccc2)c1c(cccc1OC)C=O	PC-id_10892987	334.365	WYHKDHHEJGZPIL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-063314
s1c2CCCCCc2cc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1	PC-id_9207722	334.365	VVRGEVRWSQOOBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-063315
CC(N[C@H](C(=O)O)Cc1c[nH]c2c1CC=C(C=C2)OCC(=O)O)C	PC-id_142207828	334.367	IBLGYFSCBMFJBA-HNNXBMFYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-063316
NC(=NCCc1nnc2n1CCCCC2)Nc1cc(F)ccc1F	PC-id_121773059	334.367	KVDIQDCDMPQTHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063317
O=Cc1c2-c(c(c1)C#Cc1c3-c(c(c1)C=O)ccccc3)ccccc2	PC-id_46185812	334.367	VPNNLUUWTXZZTP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-063318
O=C(c1noc2c1CCCCC2)N1C[C@@H]2[C@](C1)(CCOC2)C(=O)O	PC-id_120627447	334.367	AXGINIIVSSGSOG-APPDUMDISA-N	00000010100010000101000000000110000000000000000000000000	31-01-063319
c12C(=O)NCCCc1nc(NC(=O)NCc1ccc(F)cc1)s2	PC-id_76150363,EMOLS-id_50139287,MCULE-6133285015,ZINC22_206890370	334.369	SHFPJNUDCDJSGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063320
CCC(=Nc1cc(ccc1C)C(=O)O)c1c(=O)[nH]c2-c1ccccc2	PC-id_144080594	334.369	XVFATRSRTUSKJJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-063321
CCOC(=O)c1c(c(c2-c1ccccc2)N=Nc1ccc(cc1)C)O	PC-id_136858970	334.369	AMWXFVPQHLTEAM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-063322
N#Cc1ccc(cc1F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101951022	334.369	JNXZBBYRXLFDRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063323
N#Cc1cccc(c1F)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318818941	334.369	WAXDMRCTSMSYFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063324
N#Cc1ccc(c(c1)F)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319225948	334.369	NXFNLLJBPICMFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063325
N#Cc1cc(F)ccc1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948649	334.369	WHIDURYMLJHDBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063326
O=C(c1c2-c(c(c1)C(=O)OC)ccccc2)CNc1nc(ccc1)C	PC-id_12025078	334.369	HTZFKNCVUXEWCP-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-063327
c1(c2CCCCCc2[nH]n1)C(=O)N1CCNC(=O)C1CC(=O)OC	MCULE-4053368246,EMOLS-id_323253175	334.37	YXFOIRFLJLTAAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063328
c1(cn2c(CCNCC2)n1)C(=O)N1C[C@@H]2[C@](COC2)(C(=O)OC)C1	ZINC22_2356164513,MCULE-2118552728,EMOLS-id_337801593	334.37	VZJLEUDNTPIJLN-ZBEGNZNMSA-N	00000010100000000101000000000110000000000000000000000000	31-01-063329
Cc1noc(C)c1CC(=O)N1CCCn2nc(cc2C1)C(O)CO	EMOLS-id_55676181,MCULE-5581432023,PC-id_91785671	334.37	BMEGXJXGOHFXNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063330
COCCc1noc(n1)CN(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_100098255	334.37	XPNJMXFSBLWMQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063331
OC[C@@H](c1cc2n(n1)CCCN(C2)C(=O)Cc1c(C)noc1C)O	PC-id_99982593	334.37	BMEGXJXGOHFXNK-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063332
OC[C@H](c1cc2n(n1)CCCN(C2)C(=O)Cc1c(C)noc1C)O	PC-id_99982598	334.37	BMEGXJXGOHFXNK-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063333
O=C(Cn1nc2n(c1=O)CCCCC2)NCC(c1ccco1)(O)C	PC-id_111482734	334.37	XVOUYFAIUJBWFZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-063334
O=C(N1CCCn2nc(cc2C1)C(=O)OC)C1CC(NC(=O)C1)C	PC-id_75588470	334.37	HUPVAFMVKSNAAK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063335
O=C(NC(=O)C=CC(=O)O)C1NCCCCCCn2cc(nc2)C1	PC-id_77906804	334.37	ZJMQVTXZAJJNLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063336
O=C(NC(=O)C=CC(=O)O)[C@H]1NCCCCCCn2cc(nc2)C1	PC-id_70573604	334.37	ZJMQVTXZAJJNLG-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063337
O=C(NC(=O)[C@H]1NCCCCCCn2cc(C1)nc2)/C=CC(=O)O	SCHEMBL11371480	334.37	ZJMQVTXZAJJNLG-SZZPACECSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063338
O(C(=O)N1CCn2c(CC1)c([N+]#[C-])c(N)c2C(=O)OC)C(C)(C)C	PC-id_60025283	334.37	RJKHYISQWOARBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063339
Cn1c([C@@H](C#N)C(=O)c2noc3c2CCCCC3)nc2ccccc12	ZINC22_158768251	334.372	CMWVBHMLTOFQJM-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-063340
Cn1c([C@H](C#N)C(=O)c2noc3c2CCCCC3)nc2ccccc12	ZINC22_158768389	334.372	CMWVBHMLTOFQJM-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-063341
N#CC(c1nc2c(n1C)cccc2)C(=O)c1noc2c1CCCCC2	EMOLS-id_101064853,MCULE-7851847099	334.372	CMWVBHMLTOFQJM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-063342
N#CC(=Cc1oc2c(c1)cccc2OC)c1nnc2n1CCCCC2	PC-id_72084720,MCULE-4819201343,EMOLS-id_36255885	334.372	OANCFKVDERFYGW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-063343
N#C/C(=Cc1oc2c(c1)cccc2OC)/c1nnc2n1CCCCC2	PC-id_95180757	334.372	OANCFKVDERFYGW-SDNWHVSQSA-N	00000000100000100101000001000010000000000000000000000000	31-01-063344
o1c(/C=C(c2n3CCCCCc3nn2)/C#N)cc2c1c(OC)ccc2	PC-id_53528043	334.372	OANCFKVDERFYGW-KAMYIIQDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-063345
Nc1nc2-c(c1C#CC#Cc1c(N)nc3-c1ccccc3)ccccc2	PC-id_101464833	334.373	IDEYPZODDQCENC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-063346
c1(C(=O)NC(C)c2onc(CCOC)n2)nnc2CCCCCn12	EMOLS-id_232860267,MCULE-5712309172	334.374	PMIPZTBUGREQSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063347
CC(C)c1nnc2CCN(CCn12)C(=O)CCC1NC(=O)NC1=O	PC-id_70736465,EMOLS-id_44716956,MCULE-8735525703	334.374	ISTVZUUQMSVDKS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063348
CC(C)c1nnc2n1CCN(C(=O)CC[C@H]1NC(=O)NC1=O)CC2	PC-id_97126412,ZINC22_91593654	334.374	ISTVZUUQMSVDKS-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063349
CC(C)c1nnc2n1CCN(C(=O)CC[C@@H]1NC(=O)NC1=O)CC2	PC-id_97126413,ZINC22_91593657	334.374	ISTVZUUQMSVDKS-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-063350
CC(=O)NCC(=O)N1CCCn2c(CN3CCCC3=O)nnc2C1	EMOLS-id_46182549,PC-id_97405584,ZINC22_96084761	334.374	BIZCELLHFGYXMT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063351
CN(Cc1nnc2n1CCCCC2)C(=O)CC[C@@H]1NC(=O)NC1=O	PC-id_93906173,ZINC22_42752854	334.374	AHWKLKAMVLSEOZ-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-063352
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COC(=O)c1ccc(COC(=O)c2cc3c(s2)CCCCC3)o1	MCULE-8709760152,PC-id_2668151,ZINC22_3551239,CoCoCo_2861363,EMOLS-id_43703937	334.387	LVSWHMUCRSPDKB-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-063379
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CC(c1ccc(c2-c(c1)c(C)cc2C(=O)Oc1ccccc1O)C)C	PC-id_10958579,SCHEMBL5834152	334.408	PMUOFYMIPBHQQZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-063436
Oc1ccc(cc1)OC(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_9927657,SCHEMBL5833386	334.408	JDUHURPYWBIMJG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-063437
O(CCCc1c2-c(c(c1)C(=O)OC)ccccc2)Cc1ccccc1	PC-id_10246281	334.408	CXTVJDFFJAMKJT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-063438
O=C(Cn1c2c(sc1=O)CCCCC2)NCc1ccccc1F	PC-id_72015598,EMOLS-id_49016223,ZINC22_79090104,MCULE-4731796442	334.408	KECDYNKOLVDDRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063439
O=C(N1CCCCc2c1sc(n2)C)CCOc1ccccc1F	EMOLS-id_319251076	334.408	IAMYJJUIJPATLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063440
O=C(N1CCCCc2c1sc(n2)C)C(Oc1ccccc1F)C	EMOLS-id_320262237,MCULE-4900903834	334.408	CBNQVONNRKTELI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063441
O(C(=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C)c1cc(O)ccc1	PC-id_11131438	334.408	GGGVMEPUQMRCGB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-063442
s1c2CCCCCc2nc1NC(=O)CCOc1ccc(F)cc1	PC-id_55596597	334.408	LTSKJCQFQQQUFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063443
s1c2CCCCCCc2nc1NC(=O)c1c(OC)ccc(F)c1	PC-id_56022364	334.408	LDRYAZABEDKKER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063445
s1c2CCCCCCc2nc1NC(=O)COc1ccc(F)cc1	PC-id_56021206	334.408	LSDAABFWIXKADA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063446
CCOC(=O)c1cc2c(n1C)C(=CNCC2(C)C)C(=O)OC(C)C	PC-id_69433972,SCHEMBL5417831	334.41	VPSYXALRSSHOHI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-063447
CCOC(=O)C1CCCN(C1)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_258085456,MCULE-3259470253	334.41	BCKHDUIOABZWGG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-063448
CN(C(=O)c1cc2c(o1)CCCNC2=O)C1CC(OC(C)(C)C)C1	ZINC22_1875284299	334.41	PXRPKXRXJYPIHY-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-063449
OC1CCC(CC1)(C)NC(=O)c1coc2c1C(=O)NCC(C2)(C)C	EMOLS-id_319644374	334.41	LMLBNOBUDTWSSU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-063450
O=C(c1coc2c1C(=O)NCC(C2)(C)C)NC(C(O)(C)C)C1CC1	EMOLS-id_319749123	334.41	RDOUFCQCJDUIJS-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-063451
O=C(c1noc2c1CCCCC2)N1CCC(CC1)OC1CCOC1	EMOLS-id_100119816	334.41	NBXOEKBPURUCPL-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-063452
OC(=O)C1CCCCCCC1NC(=O)c1noc2c1CCCCC2	PC-id_120532979	334.41	HMCSFBPXYOWYTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063453
c1ccc(cn1)COc1ccccc1CN1CCCc2c(C1)cco2	EMOLS-id_316825818,MCULE-4995678549	334.412	VWRYYXFEKSUPSN-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-063454
c1ccc(COc2ccc(CN3CCCc4occc4C3)cc2)nc1	MCULE-7477378472,EMOLS-id_177244121,ZINC22_344234976	334.412	JWWJEDTUYLHONX-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-063455
Cc1c(c(ccc1)O)C(C)(C)c1c(c2c([nH]1)C=C(CCC2)C#N)C=O	SCHEMBL20366761,PC-id_135211417	334.412	MCYQBZLGVBZNSV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-063456
CCC(c1nc2c([nH]1)C=CCC=C2)(c1ccc(cc1)/C=C/C(=O)O)C	PC-id_142922727	334.412	WFBAOYSPXHIKSX-SDNWHVSQSA-N	00000000100000110111000000000010000000000000000000000000	31-01-063457
CC(C(=O)Nc1ccccc1F)Sc1nnc2n1CCCCC2	EMOLS-id_43775498,MCULE-5093612421,PC-id_42902468	334.412	FMHPUQBKYMGNNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063458
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccccc1F	CoCoCo_3081790,ZINC22_6097653,PC-id_7877032	334.412	FMHPUQBKYMGNNL-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-063459
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccccc1F	CoCoCo_3081791,PC-id_7877034,ZINC22_6097657	334.412	FMHPUQBKYMGNNL-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063460
O=C(CCSc1nnc2n1CCCCC2)Nc1ccccc1F	EMOLS-id_30736251,PC-id_30777551,MCULE-6816682661,ZINC22_23006245	334.412	LWFYPIYWMBRHOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063461
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(ccc(F)c1)C	PC-id_18085318	334.412	LWMLXVUWGSAVPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063462
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc(F)c(cc1)C	PC-id_7876685	334.412	FEMRBYXLOUKZJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063463
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(F)cc(cc1)C	PC-id_7876757	334.412	LHOKKUYKWJNGQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063464
S(c1n2CCCCCc2nn1)CC(=O)NCc1ccc(F)cc1	PC-id_7876629	334.412	SLAZZPUSIABFSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063465
S(c1n2CCCCCc2nn1)CC(=O)NCc1c(F)cccc1	PC-id_8379723	334.412	KZDXFSVUNSRKEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063466
S(CC(=O)NCc1n2CCCCCc2nn1)c1ccc(F)cc1	PC-id_51266295	334.412	GLXUWWBYWUCYLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063467
c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)CC(=O)OC	PC-id_70781297,EMOLS-id_44450201,ZINC22_82157807,MCULE-3341076297	334.413	GEPZNBFPOBKFJT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063468
c12CN(CCCn1nc(CCC(=O)O)c2)C(C)C(=O)N1CCCC1	PC-id_56913498,EMOLS-id_43169840,MCULE-2612709426	334.413	MHYVDBQWYYYQOM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063469
c12CN(CCCn1nc(CNC(=O)COCC)c2)C(=O)C1CCC1	ZINC22_82157129,MCULE-6676131394,EMOLS-id_44449669,PC-id_70779673	334.413	FFNRNSHBYCFBLX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-063470
c12CN(CCCn1nc(CNC(=O)OC(C)C)c2)C(=O)C1CCC1	MCULE-9172866443,PC-id_70727956,EMOLS-id_44431603,ZINC22_82106068	334.413	JFAOHCLWTNXMDG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-063471
c12CN(CCCn1nc(CNC(=O)OCCC)c2)C(=O)C1CCC1	PC-id_70761902,ZINC22_82134468,MCULE-9135263378,EMOLS-id_44443463	334.413	ZIVYVLAOOVACPQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-063472
c12C(=O)NCC(O)Cn1nc(C(=O)N1CCC(CC1)C(C)(C)C)c2	EMOLS-id_55678443,MCULE-2278587414,PC-id_91839326	334.413	MFPQQKSYPSSCGP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063473
c12C(=O)NCC(O)Cn1nc(C(=O)NCCC1CCCCCC1)c2	MCULE-7440806780,EMOLS-id_55617311,PC-id_91830543	334.413	CVOQAVVXHKJFAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063474
c1ccc2-c(cc1)c(cc2/C=N/c1ccccc1)/C=N/c1ccccc1	SCHEMBL14129014	334.413	CIQLTSXVAZFGLK-RPCRKUJJSA-N	00000010100000110110000000000010000000000000000000000000	31-01-063475
C1CCc2nnc(n2CC1)C(=O)NC1CCOCC1OCC1CC1	PC-id_91789192	334.413	BPYPHTYCUIYKBE-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-063476
c1(C(=O)N2CCCC(C(=O)OCC)C2)cc2n(CCCN(C)C2)n1	MCULE-7162812458,PC-id_50971983,EMOLS-id_32413246	334.413	NBXDIHIQYSPSFX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063477
c1(C(=O)NCC2(CCCC2)CO)cc2n(CCCN(C(=O)C)C2)n1	ZINC22_67884465,MCULE-4952935301,PC-id_56711917,EMOLS-id_36443880	334.413	IZYZBYSRPCCUES-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063478
c1(C(=O)N(CC)C2CCCCCC2)cc2n(CC(CNC2=O)O)n1	MCULE-5390826122,EMOLS-id_82709605,PC-id_119062218	334.413	RVNNPRLPBPPDJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063479
c1(C(=O)N[C@@H]2CCC[C@@H]2COC)cc2n(CCCN(C(=O)C)C2)n1	MCULE-3110722433,EMOLS-id_32438020,ZINC22_65534632,PC-id_50985221	334.413	OWXATYZWVNGBDR-UKRRQHHQSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063480
c1(C(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)nnc2CCCCCn12	EMOLS-id_55686387,ZINC22_223045281,MCULE-6272034811	334.413	BPYPHTYCUIYKBE-ZIAGYGMSSA-N	00100000100010000101000000000010000000000000000000000000	31-01-063481
c1(nnc2CCCCCn12)C(=O)N1CC[C@]2(OC)CC[C@@H](O)C[C@H]12	PC-id_118794439,ZINC22_299796092,MCULE-9034155673,EMOLS-id_68938776	334.413	PPZLPOJAFSHRJL-IIYDPXPESA-N	00000010100010000101000000000110000000000000000000000000	31-01-063482
CCC1CCC(=CN(C)C)C(=O)c2c1c(nn2C)C(=O)N(C)OC	PC-id_86701841	334.413	LWQZPJHWYYRSFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063483
CCC(c1nn2c(c1)CN(CCC2)C(=O)C(=O)N1CCCCC1)O	PC-id_91781593,MCULE-8798966021,EMOLS-id_55664455	334.413	XGANVDGSTCYMAM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063484
O(c1ccc(NCc2n3CCCCCc3nn2)cc1)c1ccccc1	PC-id_7523871	334.415	CHVFKISYAWMSEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063566
CC(C)(C)C1CCN(C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC1	ZINC22_244723691	334.413	MFPQQKSYPSSCGP-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063485
CC(C)(C)C1CCN(C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)CC1	ZINC22_244723692	334.413	MFPQQKSYPSSCGP-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063486
CCCCN(C1CCCC1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135093022	334.413	YKPYQTCBOUPPEF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063487
CC(C)CNC(=O)c1ncn2c1CN(C(=O)C1CC(O)C1)CCC2	ZINC22_1565547644,EMOLS-id_313787964	334.413	VFHQSRMRQHUSLK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-063488
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)C(=O)N1CCCCC1)O	PC-id_100087999	334.413	XGANVDGSTCYMAM-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063489
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)C(=O)N1CCCCC1)O	PC-id_100088001	334.413	XGANVDGSTCYMAM-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063490
CCCN(C1CCCCC1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135097847	334.413	VSLCLRQXTDRECY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063491
CC(C)NC(=O)c1ncn2c1CN(C(=O)CC1(O)CCC1)CCC2	ZINC22_1565554569,EMOLS-id_313789757	334.413	AZMQTPDIDUVIGW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-063492
C[C@@H](C(=O)N1CCCC1)N1CCCn2nc(CCC(=O)O)cc2C1	PC-id_95895724,ZINC22_72477270	334.413	MHYVDBQWYYYQOM-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063493
C[C@H](C(=O)N1CCCC1)N1CCCn2nc(CCC(=O)O)cc2C1	PC-id_95895725,ZINC22_72477271	334.413	MHYVDBQWYYYQOM-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063494
CCN(CC1CCCCC1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135100299	334.413	QYBVUGJQYFZJDJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063495
CCN(C)C(=O)c1cnn2c1CN(C(=O)CC1(O)CCC1)CCC2	ZINC22_1565546265,EMOLS-id_313769153	334.413	XSKMQURVRJTWKT-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-063496
CCN(C(=O)c1cc2n(n1)C[C@H](O)CNC2=O)C1CCCCCC1	ZINC22_426429094	334.413	RVNNPRLPBPPDJG-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063497
CCN(C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)C1CCCCCC1	ZINC22_426429095	334.413	RVNNPRLPBPPDJG-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063498
CCOC(=O)C1CCCN(C1)CC(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_278991235	334.413	QGIUNFMHVCLNBW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063499
CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3n(n2)CCCN(C)C3)C1	PC-id_95133220,ZINC22_65435542	334.413	NBXDIHIQYSPSFX-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063500
CCOC(=O)[C@H]1CCCN(C(=O)c2cc3n(n2)CCCN(C)C3)C1	ZINC22_65435544,PC-id_95133221	334.413	NBXDIHIQYSPSFX-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063501
CCOC(=O)N1CCC(CC1)NC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_323252152,MCULE-5156297535	334.413	SFTHNGJANRFDAQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063502
Cn1c2c(CCCC(=CN(C)C)C2=O)c(n1)C(=O)N(C)CCOC	PC-id_89903233	334.413	RGYYXUWMNZYQES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063503
CN(CCCC1CCCC1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135111923	334.413	TXEGDDGBGFHIMS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063504
CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2n[nH]c3c2CCCCC3)O1	ZINC22_190988888	334.413	XESSMUVVXOBLNF-RISCZKNCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063505
CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2n[nH]c3c2CCCCC3)O1	ZINC22_190988904	334.413	XESSMUVVXOBLNF-BXUZGUMPSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063506
CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2n[nH]c3c2CCCCC3)O1	ZINC22_190988923	334.413	XESSMUVVXOBLNF-FZMZJTMJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063507
CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2n[nH]c3c2CCCCC3)O1	ZINC22_190988937	334.413	XESSMUVVXOBLNF-SMDDNHRTSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063508
CN(C(=O)C1CCC(O1)CNC(=O)c1n[nH]c2c1CCCCC2)C	EMOLS-id_76033960,PC-id_121569647,MCULE-6350536860	334.413	XESSMUVVXOBLNF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063509
CN(C(=O)NC1CCN(CC1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_320158530,MCULE-8326594275	334.413	CEQNHXXHJOVGBN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063510
COC[C@@H]1CCC[C@@H]1NC(=O)c1cc2n(n1)CCCN(C(=O)C)C2	ZINC22_210429226	334.413	OWXATYZWVNGBDR-ZFWWWQNUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063511
COCCn1nc2CCN(CCn2c1=O)C(=O)CC1=CCCCC1	MCULE-3632165556,PC-id_91922540,EMOLS-id_50590135	334.413	RJYYVRWOFSJVLH-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-063512
COCCNC(=O)c1cnn2c1CN(C(=O)C1CC(C)C1)CCC2	ZINC22_1565553343,EMOLS-id_313740533	334.413	UYHSEMLIPCEAMP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-063513
COCCN(C(=O)c1nn(c2c1CCC/C(=CN(C)C)/C2=O)C)C	SCHEMBL15386623	334.413	RGYYXUWMNZYQES-VAWYXSNFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063514
COC(=O)C1CCCCN1C(=O)CCc1cc2CNCCCn2n1	EMOLS-id_43065887,PC-id_70710811,MCULE-2144043920	334.413	WGOVUKJGSDBLTF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063515
COC(=O)[C@@H]1CCCCN1C(=O)CCc1cc2n(n1)CCCNC2	PC-id_95867415,ZINC22_72419644	334.413	WGOVUKJGSDBLTF-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063516
COC(=O)[C@H]1CCCCN1C(=O)CCc1cc2n(n1)CCCNC2	PC-id_95867416,ZINC22_72419645	334.413	WGOVUKJGSDBLTF-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063517
COC(=O)N1CCCCC1C(=O)NCc1n[nH]c2CCCCCc12	MCULE-9296048970,EMOLS-id_177392717	334.413	FMBUUROKYVZULP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063518
COC(=O)N1CCCC[C@H]1C(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_584888709	334.413	FMBUUROKYVZULP-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063519
COC(=O)N1CCCC[C@@H]1C(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_584888710	334.413	FMBUUROKYVZULP-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063520
N(=Cc1c2-c(c(c1)/C=N/c1ccccc1)ccccc2)c1ccccc1	PC-id_71078713	334.413	CIQLTSXVAZFGLK-CDKAWAHRSA-N	00000010100000110110000000000010000000000000000000000000	31-01-063521
NC(=O)CC(C1CCOCC1)NC(=O)c1n[nH]c2c1CCCCC2	PC-id_121569648,MCULE-2815121402,EMOLS-id_76033964	334.413	SULJKCXURAJYGH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063522
NC(=O)C[C@H](NC(=O)c1n[nH]c2c1CCCCC2)C1CCOCC1	ZINC22_190573793	334.413	SULJKCXURAJYGH-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063523
NC(=O)C[C@@H](NC(=O)c1n[nH]c2c1CCCCC2)C1CCOCC1	ZINC22_190573808	334.413	SULJKCXURAJYGH-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063524
O1C2C(C(NC(=O)Cn3nc4n(CCCCC4)c3=O)CCC2)CC1	MCULE-3898829845,PC-id_71918098,EMOLS-id_45672381	334.413	OOFXQSGFFIPELV-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-063525
OCC1C2CCC(C1NC(=O)Cn1nc3n(c1=O)CCCCC3)C2	PC-id_109888326	334.413	MUSVJAVMCAEUPJ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-063526
O=C(C1CCCC(C1)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_120280737	334.413	JUPONSQTZSLJBU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063527
O=C(C1CCC(CC1)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_120672418	334.413	PDFGZUQYGURVJH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063528
O=C(C1CC(O)C1)N1Cc2ccnn2CC[C@H]1CN1CCOCC1	ZINC22_585098564	334.413	ZJCSDQRAFGJDFQ-BBBYJDLNSA-N	00001000100010000101000000000010000000000000000000000000	31-01-063529
O=C(C1CC(O)C1)N1Cc2ccnn2CC[C@@H]1CN1CCOCC1	ZINC22_585098569	334.413	ZJCSDQRAFGJDFQ-NPCAHTBFSA-N	00001000100010000101000000000010000000000000000000000000	31-01-063530
O=C(C1CCOCC1)N1CCCn2nnc(COCC3CC3)c2C1	ZINC22_96058861,EMOLS-id_46148019,PC-id_97381518	334.413	JHOPZTLUHIPFKU-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-063531
O(CC1C(NC(=O)c2nn3c(CN(CCC3)C(=O)C)c2)CCC1)C	PC-id_75595618	334.413	OWXATYZWVNGBDR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063532
O=C(c1noc2c1CCCCC2)N1CCN(CC1)C(C(=O)N)(C)C	EMOLS-id_111425453	334.413	KZYBJXNVORUDIM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063533
O=C(CC1(CCC1)C(=O)O)NCCCc1nnc2n1CCCCC2	MCULE-8752295469,PC-id_120485753,EMOLS-id_72193394	334.413	GJEJSUYSJDJCBL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-063534
O=C([C@H]1[C@H](C1(C)C)C(=O)O)NCCCc1nnc2n1CCCCC2	MCULE-4198395809,PC-id_122065665,EMOLS-id_72836649	334.413	TUASMFNYPYPTOZ-KGLIPLIRSA-N	00100000100000000101000000000010000000000000000000000000	31-01-063535
O=C(Cn1nc2n(c1=O)CCCCC2)N[C@@H]1CCC[C@H]2OCC[C@@H]12	PC-id_100900481,ZINC22_230156445	334.413	OOFXQSGFFIPELV-BFHYXJOUSA-N	00000010100010000101000000000110000000000000000000000000	31-01-063536
O=C(Cn1nc2n(c1=O)CCCCC2)N[C@@H]1CCC[C@H]2OCC[C@H]12	PC-id_97080624,ZINC22_89819264	334.413	OOFXQSGFFIPELV-MGPQQGTHSA-N	00000010100010000101000000000110000000000000000000000000	31-01-063537
O=C(Cn1nc2n(c1=O)CCCCC2)N[C@@H]1CCC[C@@H]2OCC[C@@H]12	ZINC22_230156434,PC-id_100900479	334.413	OOFXQSGFFIPELV-MJBXVCDLSA-N	00000010100010000101000000000110000000000000000000000000	31-01-063538
O=C(Cn1nc2n(c1=O)CCCCC2)N[C@@H]1CCC[C@@H]2OCC[C@H]12	ZINC22_89819267,PC-id_97080626	334.413	OOFXQSGFFIPELV-MCIONIFRSA-N	00000010100010000101000000000110000000000000000000000000	31-01-063539
O[C@@H]1CN(C[C@H]1N1CCOCC1)C(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319356874	334.413	NDQKOSZLZFWVQI-HUUCEWRRSA-N	00000010100010000101100000000010000000000000000000000000	31-01-063540
O=C(N1CCc2n(CC1)c(cn2)CN1CCOCC1)[C@H]1CCCO1	PC-id_97390212	334.413	WZMIMXJSRSUSEG-OAHLLOKOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-063541
O=C(N1CCOCC1)N1Cc2nccn2C[C@@H](COCC2CC2)C1	PC-id_97462384,ZINC22_96187936	334.413	YIWAULDJJYGWDB-OAHLLOKOSA-N	00100000100010000101000000000010000000000000000000000000	31-01-063542
O=C(N1CCOCC1)N1Cc2nccn2C[C@H](COCC2CC2)C1	PC-id_97462385,ZINC22_96187937	334.413	YIWAULDJJYGWDB-HNNXBMFYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-063543
O=C(N1CCOCC1)N1CC(COCC2CC2)Cn2ccnc2C1	EMOLS-id_44325969	334.413	YIWAULDJJYGWDB-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-063544
O=C(NC1CC1)CCc1nn2c(CN(CCC2)C(CC)C(=O)O)c1	PC-id_70720606	334.413	ZDRQIMXGGAZSOJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-063545
O=C(NCCC1CCCCCC1)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_252481923	334.413	CVOQAVVXHKJFAY-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063546
O=C(NCCC1CCCCCC1)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_252481924	334.413	CVOQAVVXHKJFAY-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063547
O=C(N[C@H]1CCOC[C@@H]1OCC1CC1)c1nnc2n1CCCCC2	ZINC22_1565527091	334.413	BPYPHTYCUIYKBE-KBPBESRZSA-N	00100000100010000101000000000010000000000000000000000000	31-01-063548
c12CN(CCCn1nc(C#N)c2)Cc1ccc(cc1)C#CC(C)(C)O	ZINC22_826805565,MCULE-8954179824,EMOLS-id_232877151	334.415	BNJVJIOXFGRLJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063549
C1CCc2nnc(n2CC1)C(=Cc1ccccc1OCC1CC1)C#N	PC-id_91942623,EMOLS-id_300939739,MCULE-5163476421	334.415	MWPGABBSOKVURY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-063550
c1ccc(cc1)COc1cccc(c1)CN1CCn2c(CC1)nnc2	CoCoCo_1276098,PC-id_29088594,CoCoCo_1276099,ChEMBL-DNDi_CHEMBL28489848	334.415	FFOFLKBDDZFSNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063551
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3ccccn3)C2)n1	EMOLS-id_50545087,MCULE-8918939331,PC-id_90652586	334.415	KBYWGGKXLONDHE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-063552
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)Cn1cccc1	EMOLS-id_318874080	334.415	QQAYSADGAHRPNX-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-063553
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccn1Cc1ccccc1	EMOLS-id_319764691	334.415	RBGGRAXTGHSJDT-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-063554
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn(c1c1ccccc1)C	MCULE-5318255111	334.415	DXCFZXIJCIJHDK-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-063555
Cn1ncc2c1CCCN(C(=O)c1ccc(Cc3ccccc3)[nH]1)C2	EMOLS-id_316946618,PC-id_136565398,ZINC22_822605276,MCULE-3294060223	334.415	GOAOJKXGHZFSRU-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-063556
N#Cc1ccccc1N(C(=O)c1cnc2n1CCCCC2)C1CCC1	EMOLS-id_316675669	334.415	YILIFTXKBDILNJ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-063557
N#Cc1cccc(c1)N(C(=O)c1cnc2n1CCCCC2)C1CCC1	EMOLS-id_319611939	334.415	BXELQKCLQUVZPM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-063558
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(cc1)C1CCC1	EMOLS-id_100417106	334.415	OQFWZDOJTJDVQD-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-063559
N#CC(c1nnc2n1CCCCC2)C(=O)Cc1ccc2c(c1)CCC2	PC-id_75480120,EMOLS-id_48781962	334.415	VQTPWCHBWVJYGE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-063560
N#C/C(=Cc1ccccc1OCC1CC1)/c1nnc2n1CCCCC2	PC-id_100084825	334.415	MWPGABBSOKVURY-SFQUDFHCSA-N	00100000100000110101000000000010000000000000000000000000	31-01-063561
N#C[C@H](c1nnc2n1CCCCC2)C(=O)Cc1ccc2c(c1)CCC2	PC-id_95048438	334.415	VQTPWCHBWVJYGE-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-063562
N#C[C@@H](c1nnc2n1CCCCC2)C(=O)Cc1ccc2c(c1)CCC2	PC-id_95272936	334.415	VQTPWCHBWVJYGE-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-063563
O1CCN(Cc2c3-c(cc(C(C)C)cc2)c(c(N)c3C#N)C#N)CC1	PC-id_619291	334.415	VQGSXDSQNISSQU-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-063564
Oc1ccccc1CN1CCc2n(CC1)c(nn2)Cc1ccccc1	CoCoCo_1489048,PC-id_28363111,CoCoCo_1489049	334.415	NRSUZDPJYSJZJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063565
O(CC1CC1)c1c(/C=C(c2n3CCCCCc3nn2)/C#N)cccc1	PC-id_48054902	334.415	MWPGABBSOKVURY-ATVHPVEESA-N	00100000100000110101000000000010000000000000000000000000	31-01-063567
O[C@@H](c1ccccc1)c1cc2n(n1)CCCN(Cc1ccccn1)C2	PC-id_100066962,ZINC22_221318115	334.415	KBYWGGKXLONDHE-FQEVSTJZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-063568
O[C@H](c1ccccc1)c1cc2n(n1)CCCN(Cc1ccccn1)C2	ZINC22_221318166,PC-id_100066963	334.415	KBYWGGKXLONDHE-HXUWFJFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-063569
CC1NC(=O)C(N(C1C)C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_279052385	334.417	VKWAPVSCBOXJSX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063570
CCCC(=O)N1CCCCC1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102160345	334.417	QJZBEFVJMWJNTL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063571
CCC(=O)N1CCC(C1)NC(=O)NCc1nnc2n1CCCCC2	EMOLS-id_100164841	334.417	BVXQFIQWIAUSIS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063572
CC(=O)NC1CCCN(C1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_110375749	334.417	ZPAUECOECHKRQG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063573
CN(CCN1CN(C(C1=O)C)C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316668503	334.417	CILDYEQDEKJQRB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063574
CNC(=O)C1CCCN(C1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_110986652	334.417	ZJUGMIJJNQSYGM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063575
n12CCCCCc1nnc2CNC(=O)C1CCCN(CC(=O)N)C1	MCULE-1808429261,EMOLS-id_31623379,PC-id_46997522	334.417	FFMXXFLGGRVGNR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063576
NC(=O)CN1CCC[C@@H](C(=O)NCc2nnc3n2CCCCC3)C1	PC-id_52398533,ZINC22_55384144	334.417	FFMXXFLGGRVGNR-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063577
NC(=O)CN1CCC[C@H](C(=O)NCc2nnc3n2CCCCC3)C1	ZINC22_55384147,PC-id_52398535	334.417	FFMXXFLGGRVGNR-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063578
O=C(C1COCCN1C1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102179582	334.417	HKFLCEFYNPDRQI-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-063579
O=C(N1CC(C1C1CCCO1)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102161209	334.417	BTWJQWGZDUNCTR-UHFFFAOYSA-N	00001010100000000101100000000010000000000000000000000000	31-01-063580
O=C(N1CCC(C1)C1CCOCC1)NC1CCn2c(CC1)nnn2	MCULE-1140732689,EMOLS-id_320273704	334.417	OUCPYTPECIHXAM-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-063581
O=C(N1CCC(CC1)C1CCCO1)NC1CCn2c(CC1)nnn2	EMOLS-id_319679922	334.417	QLAACMZPKFUULD-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-063582
O=C(N1CCCC(C1)OCC1CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102168811	334.417	JFEFDKAFFUTQOG-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-063583
O=C(N1CCC(CC1)OCC1CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_319797676	334.417	OXDZNSRYLDMTAF-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-063584
O=C(N1CCCn2c(C1)cc(n2)N)NC1CC(=O)N(C1)C(C)(C)C	EMOLS-id_318958978	334.417	UPORKWXQKIJNSP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-063585
O=C(N1CCCn2c(C1)cc(n2)N)NCC1(CC1)N1CCOCC1	EMOLS-id_318875600	334.417	YDAUKDRPOWFKGU-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-063586
O=C(N1CCCn2c(C1)cc(n2)N)NCCC(=O)N1CCCCC1	MCULE-3456995371,EMOLS-id_320066265	334.417	OQYXBACCMAMSBE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063587
O=C(N1CCOCC(C1)C1CCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102161269	334.417	KHUFIVSLTXSRGU-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-063588
O=C(NC1CCC(=O)N(C1)C)NCCc1nnc2n1CCCCC2	EMOLS-id_99451559	334.417	DLPCLMMUALICCM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063589
O=C(N[C@H]1CCCCNC1=O)NCCc1nnc2n1CCCCC2	GD-id_ZINC45383834	334.417	LYGDOQLMWQCLHS-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063590
O=S(=O)(c1cnn2c1cccn2)N1CCCc2c(C1)ccs2	EMOLS-id_319253516	334.417	SWKKQPFUBLAITG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-063591
O=S(=O)(c1n[nH]c2c1cccn2)N1CCCc2c(C1)ccs2	MCULE-9484120106,EMOLS-id_319828090	334.417	VLXMCYAVZMLALM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-063592
c12cncn1CCCN(Cc1cnc(nc1)NCc1ccccc1)C2	ZINC22_72152173,EMOLS-id_43109587,PC-id_56894845,MCULE-7421542952	334.418	LYXIXFVPMPEPBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063593
c1ccc(CN2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)cc1	ZINC22_306141275	334.418	VQLAOVWTTUNMRJ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063594
c1ccc(CN2Cc3ccnn3C[C@H](CNc3ncccn3)C2)cc1	ZINC22_306141276	334.418	VQLAOVWTTUNMRJ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063595
c1ccc(CN2CCc3ncc(CNc4ccccn4)n3CC2)nc1	PC-id_97467250,EMOLS-id_44329137,ZINC22_96197107	334.418	LPPGYYAQJHLBQG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-063596
Cc1ccccc1c1cnnc(NCc2n[nH]c3c2CCCCC3)n1	ZINC22_12317464,CoCoCo_1406708,EMOLS-id_20592263,CoCoCo_1406707,PC-id_42530007,MCULE-3986399831,Chemmine_39588	334.418	SVYVQPIBNXRUHQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-063597
C(Nc1ncccn1)C1CN(Cc2ccccc2)Cc2ccnn2C1	EMOLS-id_50373689	334.418	VQLAOVWTTUNMRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063598
N1NCC(C1c1ccccc1)C=C(c1n2CCCCCc2nn1)C#N	PC-id_75266091	334.418	KNYLAFFNKDCEDC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-063599
C1CCc2nnc(n2CC1)/C(=C(/CSc1nncs1)O)/C#N	PC-id_135757040	334.42	FWWFWKLPYIMZNP-KTKRTIGZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063600
O=C(N1CCCn2c(C1)cc(n2)N)Nc1nc2c(s1)scc2	EMOLS-id_319005526	334.42	CXATXTIVRBKMSI-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-063601
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1scnn1	PC-id_84876021	334.42	IQDBNFHVCTXXMS-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-063602
S(CC(=O)/C(=C
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S(CC(=O)N1CCCn2nc(cc2C1)C#N)c1sc(nn1)C	PC-id_46994004	334.42	RWYGDCMWTUDWBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063604
Fc1ccc(cc1)CC1CCCCc2c1n(nc2)Cc1ccccc1	PC-id_141172644	334.43	YVWXRTAXEMQYCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063605
S(=O)(=O)(OC(C)C)c1c2-c(c(c1)C=O)cc(C(C)C)ccc2C	PC-id_71726023	334.43	CFPRRVIZOVXYIS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-063606
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C#Cc1cccs1	PC-id_101485099	334.431	GQOALXQPMZNSEX-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-063607
CC(C)(C)c1nnc(COC(=O)c2cc3c(s2)CCCCC3)o1	EMOLS-id_36998298,PC-id_56808397,ZINC22_46838353,MCULE-3266568269	334.433	MWLDTVHBWWADJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063608
CC(C)(CC(=O)O)CC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_18885057,PC-id_25565142,CoCoCo_4359612,ZINC22_12868877,MCULE-4749669852	334.433	CHECDOHTBSDGOZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063609
CCN(C(=O)c1sc2c(c1)CCCCCC2)C1CC(=O)NC1=O	EMOLS-id_99081088	334.433	MUTIHRDAVMFZQV-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-063610
CN1C(=O)CCC(C1=O)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_102245052	334.433	ZMNZQMODDDPUBT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-063611
CN(c1cc(ccc1C)S(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99299323	334.433	ACDUWUOPIBOVCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-063612
CN(Cc1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99305876	334.433	KEUJEAJITZUCGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-063613
COCCCNC(=O)C(C(=O)c1cc2c(s1)CCCCC2)C#N	EMOLS-id_32024603,MCULE-7281718036,PC-id_51086299	334.433	PFFUQIFOIJUQEZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063614
COCCCNC(=O)[C@H](C#N)C(=O)c1cc2c(s1)CCCCC2	PC-id_98449754,ZINC22_103502813	334.433	PFFUQIFOIJUQEZ-CYBMUJFWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063615
COCCCNC(=O)[C@@H](C#N)C(=O)c1cc2c(s1)CCCCC2	ZINC22_103502811,PC-id_98449753	334.433	PFFUQIFOIJUQEZ-ZDUSSCGKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063616
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s1c(C(=O)N2C[C@@]3([C@H](C2)CNC3)C(=O)O)cc2c1CCCCC2	PC-id_50956410	334.433	PLRQQDRNVIFWHS-SJCJKPOMSA-N	00000010100000000100000000000110000000000000000000000000	31-01-063620
c12C(=O)NCCCc1[nH]c(CSCc1ccc(CN(C)C)o1)n2	ZINC22_95530984,PC-id_72938672,MCULE-8544738912,EMOLS-id_48649572	334.436	GETVFRXJAVVWGW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-063621
c1(cn2c(CCNCC2)n1)C(=O)N(CCO)Cc1ccc(C)s1	MCULE-5736276513,EMOLS-id_330490935,ZINC22_1857734518	334.436	UQZNDAKADAMVPI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-063622
c1(C(=O)OC)cc2n(CCCN(Cc3scc(C(C)C)n3)C2)n1	ZINC22_65527771,MCULE-9889281206,EMOLS-id_32434556,PC-id_50983299	334.436	ZHKDUBIZSNOVHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063623
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cccc(c1)N(C)C	EMOLS-id_318826167	334.436	FKBQOTZRHCSCNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063624
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(cc1)N(C)C	EMOLS-id_319466349	334.436	SMSYCFCHZDTJKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063625
Cc1ccc(cc1NCc1nnc2n1CCCCC2)S(=O)(=O)C	EMOLS-id_318049336,MCULE-6833627997	334.436	BEPPNLQCUBJZBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063626
Cc1ccc(cc1)S(=O)(=O)NC(c1nnc2n1CCCCC2)C	MCULE-6079420317,PC-id_51074965,EMOLS-id_31867804	334.436	WNEHNMCRHYCECY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063627
Cc1ccc(CN(C)C(=O)CSc2nnc3n2CCCCC3)o1	ZINC22_7280589,PC-id_8379233,EMOLS-id_13482432,MCULE-7140569329,CoCoCo_4054292	334.436	KQQHZVWQVXLSLB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-063628
Cc1ccc(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1	PC-id_94176870,ZINC22_48276809	334.436	WNEHNMCRHYCECY-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063629
Cc1ccc(S(=O)(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1	ZINC22_48276812,PC-id_94176872	334.436	WNEHNMCRHYCECY-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063630
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCn1c(=O)sc(c1C)C	EMOLS-id_319670580	334.436	NUXBJJLBBKIPTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063631
CC1CN(CCNS(=O)(=O)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_320111929,MCULE-7539907579	334.436	XTGAIAIPAJKNHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063632
Cc1sc2c(n1)CCCCN2C(=O)COc1c(C)nn(c1C)C	EMOLS-id_319371916	334.436	REUGSMRGLFNELR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063633
CCc1cc(ccc1CC)S(=O)(=O)N1CCCn2c(C1)cnn2	MCULE-5837979038,EMOLS-id_319881553	334.436	MZUBMTAXZQULFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063634
CCc1cccc(c1S(=O)(=O)N1CCCn2c(C1)cnn2)CC	EMOLS-id_316709629	334.436	LUQIPDPBSWWIEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063635
CCc1ccc(cc1)S(=O)(=O)NCc1nnc2n1CCCCC2	GD-id_ZINC48439376	334.436	QVMQPWONOZZXKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063636
CCc1cnc(o1)CNC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98978551	334.436	KXMKPPVYINHNPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063637
CC(c1nnc2n1CCCCC2)NS(=O)(=O)Cc1ccccc1	MCULE-2015733393,PC-id_45821874,EMOLS-id_31950107	334.436	JXBSZALQKAISEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063638
CCc1onc(c1NC(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_101066620	334.436	NMVWBABANPEFDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063639
CC(Cc1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_316710910	334.436	XECUHAZNHFULCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063640
CC(C)c1noc(CCC(=O)Nc2nc3c(s2)CCCCC3)n1	EMOLS-id_31891115,PC-id_37833895,ZINC22_30692737,CoCoCo_4860591,MCULE-2530672273	334.436	SZLPGBKGJBPSEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063641
C[C@H](NS(=O)(=O)Cc1ccccc1)c1nnc2n1CCCCC2	CoCoCo_4890914,ZINC22_40527710,PC-id_93616872	334.436	JXBSZALQKAISEK-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063642
C[C@@H](NS(=O)(=O)Cc1ccccc1)c1nnc2n1CCCCC2	ZINC22_40527711,CoCoCo_4890913,PC-id_93616873	334.436	JXBSZALQKAISEK-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063643
CCn1nc2CCC(CCn2c1=O)C(=O)NCCc1cccs1	EMOLS-id_207876830,MCULE-1490573105	334.436	GXCOKYXTFUTKQQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-063644
CCNC(=S)Nc1c(C#N)c2n(c1C(=O)OCC)CCCCC2	NSC697460,PC-id_3005401,CoCoCo_5764223	334.436	XHKNWHIWRDKLTG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063645
CCOCc1nc(c(s1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319867826,MCULE-2584716232	334.436	YFRXLFXHPVMKRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063646
CCOC(c1ncc(s1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	MCULE-7920830685,EMOLS-id_320197932	334.436	UEHRVMMYPPSTPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063647
CCOC(=O)c1nc2c(s1)N(Cc1cnn(C)c1C)CCCC2	MCULE-9451836317,ZINC22_1616033701,EMOLS-id_317028872,PC-id_136571458	334.436	BZXIONNNKATITO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063648
COc1cccc(c1O)Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_101554686	334.451	LNCCTFJSSPJOOE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-063732
CCS(=O)(=O)c1ccccc1NCc1nnc2n1CCCCC2	MCULE-4331736481,EMOLS-id_49973604,PC-id_86805841,ZINC22_195576063	334.436	BGWKTKDGEIIMQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063649
Cn1ncc2c1CCCN(C2)S(=O)(=O)NCCc1ccccc1	EMOLS-id_318977737	334.436	GFYUYFICPOZPKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063650
CN(c1cccc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101950854	334.436	ZNZBEGSNTRWTEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063651
CN(C)c1ccc(S(=O)(=O)N2CCCc3c(cnn3C)C2)cc1	MCULE-6278427681,EMOLS-id_101950863,ZINC22_333373606	334.436	MVGULPDQIXPIQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063652
CN(Cc1cnn(C)c1)C(=O)Cn1c2c(sc1=O)CCCCC2	PC-id_71981148,MCULE-2191275574,ZINC22_96447945,EMOLS-id_49085597	334.436	VPHKHSGTSHWKOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063653
CN(C)CC1CN(Cc2nccn2C1)S(=O)(=O)c1ccccc1	EMOLS-id_44326085	334.436	CIXUVXZXFZORTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063654
CN(C)C[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1	PC-id_97462681,ZINC22_96188238	334.436	CIXUVXZXFZORTE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063655
CN(C)C[C@@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1	ZINC22_96188241,PC-id_97462684	334.436	CIXUVXZXFZORTE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063656
CN(C(=O)c1nc2c(s1)CCN(CC2)Cc1c(C)onc1C)C	PC-id_97462033	334.436	CVKNDLUIFIIMOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063657
COCCn1ncc(c1C)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319143016	334.436	GFZYZBRJQQTXJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063658
COCCNC(=O)C1CN(Cc2cccs2)Cc2ccnn2C1	EMOLS-id_44326641	334.436	MSJOVWDTYKIBMH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-063659
COCCNC(=O)C1CN(Cc2cscc2)Cc2n(C1)ncc2	PC-id_118739050	334.436	VAVKAVCAEBCATL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-063660
COCCNC(=O)[C@@H]1CN(Cc2cccs2)Cc2ccnn2C1	PC-id_97463216,ZINC22_96188785	334.436	MSJOVWDTYKIBMH-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-063661
COCCNC(=O)[C@H]1CN(Cc2cccs2)Cc2ccnn2C1	ZINC22_96188784,PC-id_97463215	334.436	MSJOVWDTYKIBMH-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-063662
Nc1cccc(c1)S(=O)(=O)N1CCC(Cc2c1cnn2C)(C)C	PC-id_23119818,SCHEMBL5467013	334.436	LVQAXSGJNYLQFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063663
NC(=O)N1CCC(=NNC(=O)c2cc3c(s2)CCCCC3)CC1	PC-id_40103270,CoCoCo_4458588,MCULE-3455752194,GD-id_ZINC32869061,EMOLS-id_24975942	334.436	YSZVOHIOIYPGTI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-063664
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OCC(c1nncn1C)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_316662246	334.436	ZVHWCFMQQSAKGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063667
O=C(N1CCCCc2c1sc(n2)C)CCc1onc(n1)C(C)C	EMOLS-id_318860457	334.436	SWKSXWHXYKKLJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063668
O=C(N1CCN2C(C1)CCC2=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98391149	334.436	MMVNDVOTMARBOP-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-063669
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O=C(Nc1nc2c(s1)CCCCC2)NCc1onc(c1)C(C)C	PC-id_100906896	334.436	LPMNSUMYMMHBQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063672
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O=C(Nc1nc2c(s1)CCCCC2)NCCc1nc(oc1C)C	EMOLS-id_98448991	334.436	WLMJLPRUVICBHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063674
O=C(Nc1sc2c(n1)CCCCCC2)NCc1c(C)noc1C	EMOLS-id_101098358	334.436	XNUQYGYUOMMUOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063675
O=S(=O)(c1ccccc1C(C)(C)C)N1CCCn2c(C1)cnn2	MCULE-9442436453,EMOLS-id_319942375	334.436	GLFMKORCPIQNGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063676
s1c2CCCCCc2c(c1NC(=O)CN(CC(=O)NC)C)C#N	PC-id_78826181	334.436	NGFPMYVYNRADMA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063677
s1c2CCCCCCc2cc1C(=O)OCc1n(nnn1)CCC	PC-id_55400288	334.436	QCCFAILZOFYJSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063678
C1CCCc2c(CC1)c(c(s2)/N=C/c1c[nH]c2c1cccn2)C#N	PC-id_137224970	334.438	QJQQCBNQVHLFTL-FSJBWODESA-N	00000000100000100100000001000010000000000000000000000000	31-01-063679
Cn1cncc1CN1C=C(N=Cc2c1scc2)Cc1ccccc1	PC-id_139823554	334.438	QWMRDMFXWHISRZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-063680
c12C(CCCCn1nnn2)C(=O)NCc1c(C)nc(CCC)s1	EMOLS-id_177500424,MCULE-1291893123,PC-id_122571577	334.44	RSGFCZSSRJPGCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063681
c12C(CCCCn1nnn2)C(=O)NCCCc1sc(c(C)n1)C	PC-id_56866308,EMOLS-id_43092437,MCULE-6212922872	334.44	LTUCDSMFNRBQLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063682
c1(C(=O)NCc2cc3n(CCCNC3)n2)sc(nc1C)NCC	ZINC22_82092134,MCULE-8029243931,EMOLS-id_44426159,PC-id_70712298	334.44	HMDAZVJRDBEGPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063683
Cc1cnc([C@@H](C)NC(=O)NCc2nnc3n2CCCCC3)s1	ZINC22_176407559	334.44	PSBDFRYXQPQELV-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063684
Cc1cnc([C@H](C)NC(=O)NCc2nnc3n2CCCCC3)s1	ZINC22_176407572	334.44	PSBDFRYXQPQELV-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-063685
Cc1csc(CNC(=O)N(C)Cc2nnc3n2CCCCC3)n1	ZINC22_1875278431	334.44	ZFDKPGCOCSRZMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063686
Cc1nc(CCCNC(=O)[C@H]2CCCCn3nnnc23)sc1C	PC-id_95525011,ZINC22_71707994	334.44	LTUCDSMFNRBQLH-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063687
Cc1nc(CCCNC(=O)[C@@H]2CCCCn3nnnc23)sc1C	ZINC22_71707993,PC-id_95525010	334.44	LTUCDSMFNRBQLH-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063688
Cc1nc(CCNC(=O)NCc2nnc3n2CCCCC3)cs1	PC-id_45830184,EMOLS-id_31998136,ZINC22_43779601,MCULE-9671935041	334.44	ZVVMDMGUPRFMQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063689
Cc1nn(C)c(C)c1NC(=O)CSc1nnc2n1CCCCC2	CoCoCo_4013280,EMOLS-id_13484114,PC-id_8211727,ZINC22_7081643,MCULE-7074963356	334.44	ZNAJGHJJGZGFLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063690
Cc1sc(c(n1)C)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319051255	334.44	WOLSOHCHJXTEOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063691
CCc1cnc(s1)NC(=O)N(Cc1nnc2n1CCCCC2)C	MCULE-7120684037,EMOLS-id_320317554	334.44	AOWLFWHATLZJQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063692
CCc1n[nH]c(SCC(=O)NCc2n[nH]c3c2CCCCC3)n1	MCULE-2889998555,ZINC22_252478150,EMOLS-id_55698535,PC-id_91842222	334.44	AEKBOIJIQJUETG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063693
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CCc1scc(n1)C(NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_318923399	334.44	OGVLZGLMRTUUKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063695
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CC(C1OCCC(C1)CNC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101700434	334.456	RLSMETMCTCSCAL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063753
CC(C1OCCCC1CNC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101722665	334.456	WANGLDVKYHFXGY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063754
CCC(c1nnc2n1CCCCC2)NC(=O)CC1CC(C1(C)C)O	MCULE-9237145645,EMOLS-id_320168616	334.456	DLVQDXLVQSFJPI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-063755
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CCNC(=NCc1nnc2n1CCCCC2)NCCCCC(C)C	PC-id_111580269	334.503	YQFILENMLZIWFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063968
CCNC(=NCCCc1nnc2n1CCCCC2)NCCC(C)C	PC-id_110978151	334.503	YRDINUBXOHWGAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063969
CCNC(=NCCCc1nnc2n1CCCCC2)NC(C(C)C)C	PC-id_111001585	334.503	RKXCHNQVFFDFBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063970
CCNC(=NCC(CC)CC)NCCc1nnc2n1CCCCC2	PC-id_111890489	334.503	YUGPBIQFRIHHQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063971
CCNC(=NCCCC(C)C)NCCc1nnc2n1CCCCC2	PC-id_111943257	334.503	FEXYIIJRZJEXRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063972
CN=C(NC(CCC(C)(C)C)C)NCc1nnc2n1CCCCC2	PC-id_109500995	334.503	YGPQYUJWJMVMJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063973
CN=C(NC(CCCC(C)C)C)NCc1nnc2n1CCCCC2	PC-id_111173517	334.503	OKFYRKYYWQEWMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063974
CN=C(NC(CCC(C)C)C)NCCc1nnc2n1CCCCC2	PC-id_111203308	334.503	BDNGNFJUPXLXMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063975
CN=C(NCCCC(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111942789	334.503	ZYKNSXYJTPZCBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-063976
s1c2c([C@H](N(CC2)Cn2nc3n(CCCCC3)c2=S)C)cc1	PC-id_9321146	334.503	NXAXZGRAJOQXGP-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-063977
s1c2c([C@@H](N(CC2)Cn2nc3n(CCCCC3)c2=S)C)cc1	PC-id_9321151	334.503	NXAXZGRAJOQXGP-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-063978
s1c2c(C(N(CC2)Cn2nc3n(CCCCC3)c2=S)C)cc1	PC-id_84980710	334.503	NXAXZGRAJOQXGP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-063979
s1c(C2N(CCC2)Cn2nc3n(CCCCC3)c2=S)ccc1	PC-id_78646157	334.503	UNKNXTRLMSLQIT-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-063980
s1c([C@H]2N(CCC2)Cn2nc3n(CCCCC3)c2=S)ccc1	PC-id_8262678	334.503	UNKNXTRLMSLQIT-ZDUSSCGKSA-N	00000010100100000101100000000010000000000000000000000000	31-01-063981
s1c([C@@H]2N(CCC2)Cn2nc3n(CCCCC3)c2=S)ccc1	PC-id_8262681	334.503	UNKNXTRLMSLQIT-CYBMUJFWSA-N	00000010100100000101100000000010000000000000000000000000	31-01-063982
s1c2C(=O)CCCCCCCCCCCCCCC(=O)c1cc2	PC-id_16081282	334.516	HFQVDCNSXKHLGM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063983
Clc1c(OC2CCN(Cc3occc23)C)cccc1C(=O)NC	PC-id_68411025	334.797	LYTPJOWEVXZWDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064005
c1(cc2c(CCCCCC2)s1)C(=O)NC1CCN(CC1)C(C)C	CoCoCo_1073173,PC-id_25236733,MCULE-8787509992,EMOLS-id_17004764,ZINC22_12382539,CoCoCo_1073174,TIMTEC477994	334.519	UIVYWRWLGHEBRO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-063984
C1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC1CCC1	PC-id_145451403	334.519	AXIGIOQHRURPAJ-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-063985
C1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC1CC1	PC-id_145452194	334.519	WPVCAOKGNHACMK-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-063986
c1(C(=O)NCCCN2CCCCCC2)csc2CCCCCc12	PC-id_20881871,CoCoCo_2171580,MCULE-2026022481,EMOLS-id_16062849	334.519	DEHYRNHHCBNJRK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063987
c1(C(=O)NCCN(C)C2CCCCC2)csc2CCCCCc12	MCULE-8935503870,PC-id_20881883,EMOLS-id_16062875,CoCoCo_2171605,CoCoCo_2171604	334.519	NMIAILHUDZSEQU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-063988
c1(sc2c(CCCCC2)n1)NC(=O)C1CCC(CC1)CCCC	MCULE-1980411939,EMOLS-id_334605946	334.519	CVRXSQDVSFTMBM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-063989
CCCN(C(=O)c1sc2c(c1)CCCCCC2)C1CCNCC1	MCULE-1463102078,PC-id_119823966,EMOLS-id_301952016	334.519	ZTOOFMPUGHJWCJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-063990
CCNCC1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	MCULE-6933835554,EMOLS-id_301830156,PC-id_119645371	334.519	UQQRDKQZNKNWDP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-063991
CNCCC1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	PC-id_120183351,EMOLS-id_303015551,MCULE-2279667146	334.519	ISEWTDQXSGZGPM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-063992
s1c2c(CCCCC2)cc1C(=O)NC1CCN(CC1)CCCC	PC-id_56175236	334.519	FVIPKOPQOTVXAD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-063993
s1c2c(CCCCCC2)cc1C(=O)NC1CCN(CC1)CCC	PC-id_9264936	334.519	WCCFVGXCCARRAQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-063994
S1C(CCC(NCC(C)C)c2c1sc(S(=O)(=O)N)c2)C	PC-id_57106014	334.521	AOLFBVRYTDDIQF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-063995
S=c1n(nc2n1CCCCC2)CN(C1CC1)CC1CCCCC1	PC-id_56363955	334.523	NOENVCVHAYSVQQ-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-063996
O=C(c1noc2c1CCCCC2)Nc1ccc(c(c1)Cl)C(=O)O	PC-id_120515642,EMOLS-id_57588807,MCULE-1962284290	334.754	KOPJLJOMHBICBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063997
c1(C(=O)Nc2ccc(c(c2)N(=O)=O)Cl)c2CCCCCc2[nH]n1	EMOLS-id_323254965,MCULE-4605994814	334.758	MVWVALUUEKIBEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063998
c1(C(=O)Nc2ccc(cc2N(=O)=O)Cl)c2CCCCCc2[nH]n1	MCULE-7769679368,EMOLS-id_335033515	334.758	KHNZQLLXCAQHDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-063999
c1(C(=O)OC)cc2n(CCCN(C(=O)c3ccnc(Cl)c3)C2)n1	EMOLS-id_32384496,MCULE-9903003298,PC-id_50956759,ZINC22_65386357	334.758	ISGMIKHUPHJVQH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064000
O=C(C1CCn2c(CC1)nnc2)Nc1cc2OCOc2cc1Cl	MCULE-2589539861,EMOLS-id_320055664	334.758	KDXHSWTUXCXZLY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-064001
O=C(O)c1cc(CCn2cnc3c2NC=NCC3O)ccc1Cl	BindingDB_PC-id_10735487,PC-id_10735487,CHEMBL36636	334.758	RDAHCVFNCYBCEH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-064002
Clc1cc(ccc1C(=O)N1CCC=Cc2c1ccs2)[N+](=O)[O-]	PC-id_21467155,SCHEMBL6988415	334.777	WUMXMLUNTYIVAG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-064003
Clc1c(OC2CCN(Cc3occc23)C)ccc(c1)C(=O)NC	PC-id_68410533	334.797	WKPSWIQOOIVIIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064004
Clc1c(OC2CCN(Cc3oc(cc23)C)C)ccc(c1)C(=O)N	PC-id_68410178	334.797	ZGHCZJKAIPMMFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064006
COc1cc(Cl)c(cc1NC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99324229	334.797	GGRWNNLYRCVCJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064007
ClC1=CC(=Cc2nc3=CCC=CC=c3o2)C=CN1c1ccccc1	PC-id_142888708	334.799	OKTRYYKJFMMLHI-UHFFFAOYSA-N	00000000100011111111100000000010000000000000000000000000	31-01-064008
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1cccc(Cl)n1	MCULE-5986865481,PC-id_56919248,EMOLS-id_43185235,ZINC22_72412441	334.801	RDWIIQIZFHKQKD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064009
c12cncn1CCCN(Cc1ccc(c(Cl)c1)OCC(=O)N)C2	EMOLS-id_43167050,PC-id_56912545,MCULE-1816614468,ZINC22_72166922	334.801	HMVBHYQQGQVQIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064010
C1Cc2cnnn2COCCNC(=O)[C@H]1Cc1ccc(cc1)Cl	PC-id_134828876	334.801	RCFVKUOCURXQKM-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064011
c1(C(O)C2CC2)cc2n(CCCN(C(=O)c3[nH]cc(Cl)c3)C2)n1	PC-id_91783510,MCULE-5631778776,EMOLS-id_55669973	334.801	VVLDYDILRUAXCI-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-064012
Cc1ccc(Cl)cc1NC(=O)Cn1nc2n(c1=O)CCCCC2	CoCoCo_4447312,EMOLS-id_17194528,PC-id_24242509,MCULE-3363539470,ZINC22_11049156	334.801	WHALIKWSVXLSQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064013
Cc1ccc(NC(=O)Cn2nc3CCCCCn3c2=O)cc1Cl	EMOLS-id_24136098,MCULE-3666031101,ZINC22_13018813,CoCoCo_4406370,PC-id_25674437,SPECS-id_AT-687/NB01940	334.801	VZUNLWQPQRTTLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064014
Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)c(Cl)c1	PC-id_41793740,CoCoCo_4447318,MCULE-2333891114,EMOLS-id_18868752,ZINC22_11049257	334.801	UYFHGOQVZWLIEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064015
Cc1c(Cl)cccc1NC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_18844168,CoCoCo_4447309,ZINC22_12814003,MCULE-4590666883,PC-id_25531108	334.801	XSUSNHSCTFCGQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064016
CCOc1ccc(cc1Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319701913	334.801	XQOWCHZCKWMCNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064017
CCOc1ccc(c(n1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)Cl	EMOLS-id_319273395	334.801	ZVVSOGSPBSLTEZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064018
CCOc1cc(Cl)ccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316538501	334.801	SREWRFPZIDHTLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064019
Clc1ccc(cc1)[C@@H](CNC(=O)C1CCn2c(CC1)nnc2)O	EMOLS-id_316671412	334.801	QTUWPYQQSKGUCA-TYZXPVIJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064020
Clc1ccccc1CNC(=O)Cn1nc2CCCCCn2c1=O	MCULE-4803537869,EMOLS-id_48461813,SPECS-id_AT-687/NB01927,ZINC22_29108129,PC-id_36282718	334.801	USXQIACACFORJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064021
Clc1ccc(c(c1)C)OC(C(=O)N1CCn2c(CC1)nnc2)C	PC-id_45221844,ChEMBL-DNDi_CHEMBL56634648	334.801	HLOOEOXJDAVPBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064022
Clc1ccc(c(c1)C)O[C@@H](C(=O)N1CCn2c(CC1)nnc2)C	CoCoCo_1451380	334.801	HLOOEOXJDAVPBK-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064023
Clc1ccc(c(c1)C)O[C@H](C(=O)N1CCn2c(CC1)nnc2)C	CoCoCo_1451381	334.801	HLOOEOXJDAVPBK-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064024
Clc1ccccc1OCC(=O)NCc1cc2CNCCCn2n1	EMOLS-id_44442051,ZINC22_82127060,PC-id_70757621,MCULE-2475741392	334.801	CURKFVFTBZACGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064025
Clc1ccc(C[C@@H]2CCc3n(nnc3)COCCNC2=O)cc1	PC-id_71760385	334.801	RCFVKUOCURXQKM-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064026
Clc1cc(C[C@@H]2CCc3n(nnc3)COCCNC2=O)ccc1	PC-id_71759269	334.801	ISZSEMATXYZPNG-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064027
Clc1cc(C[C@H]2CCc3n(nnc3)COCCNC2=O)ccc1	PC-id_71759700	334.801	ISZSEMATXYZPNG-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064028
Clc1ccc(CNC(=O)Cn2nc3CCCCCn3c2=O)cc1	EMOLS-id_48461821,PC-id_41793705,SPECS-id_AT-687/NB01957,MCULE-4451248072,ZINC22_11049149	334.801	JNONSDPUAZZNKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064029
Clc1ccc(OCC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266230	334.801	YYDJZLGBTBINKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064030
Clc1c(OCC(=O)NCc2n3CCCCCc3nn2)cccc1	PC-id_51266249	334.801	JRRLWNHQPOZCNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064031
Cl/C(=C/C=C)/c1c2n(CCCCC(=O)C2)c(c1)C(=O)N=C(N)N	PC-id_59964860	334.801	RHFOZAQGVPYQIG-LFYBBSHMSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064032
ClC(=CC=C)c1c2n(CCCCC(=O)C2)c(c1)C(=O)N=C(N)N	PC-id_72608587	334.801	RHFOZAQGVPYQIG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064033
CN(C(=O)c1cccc(c1O)Cl)Cc1nnc2n1CCCCC2	EMOLS-id_318649190	334.801	ZHZDBMPCJQCOFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064034
COc1ccc(cc1Cl)N(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316537477	334.801	XYEHXYFEFVVPJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064035
COc1cc(ccc1Cl)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101853787	334.801	MXJUYLMJANRMHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064036
COc1ccc(cc1Cl)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101961032	334.801	BQTMWDZZPNEBSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064037
COc1c(cccc1Cl)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101961239	334.801	UDTRDMHMXNBHGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064038
COc1cccc(c1CNC(=O)C1CCn2c(CC1)nnc2)Cl	EMOLS-id_319905115,MCULE-8774748492	334.801	QJDQRNUWHTXUHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064039
COc1ccc(cc1NC(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101845894	334.801	JMGOSZDHKDOEBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064040
COc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101963397	334.801	HLTYVSGPILGYAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064041
COc1ccc(Cl)cc1C(=O)NCc1nnc2n1CCCCC2	ZINC22_22701112,MCULE-7485655598,EMOLS-id_75969688,PC-id_30547162	334.801	OXFMPPSPPVBMKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064042
CON(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1Cl	EMOLS-id_316735481	334.801	FHIJTNHRTRQILR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064043
O=C(c1cc(Cl)c[nH]1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	PC-id_100096723,ZINC22_222441737	334.801	VVLDYDILRUAXCI-HNNXBMFYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-064044
O=C(c1cc(Cl)c[nH]1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	PC-id_100096726,ZINC22_222441793	334.801	VVLDYDILRUAXCI-OAHLLOKOSA-N	00100000110000000101000000000010000000000000000000000000	31-01-064045
O=C(NCCc1nnc2n1CCCCC2)c1cc(Cl)ccc1O	ZINC22_42763876,PC-id_91641432,MCULE-6192648339,EMOLS-id_50301665	334.801	PVDXTXSPUVUSPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064046
Clc1ccc(s1)S(=O)(=O)N1CCc2n[nH]c(=O)n2CC1	PC-id_91910605,EMOLS-id_50585849,MCULE-2024664548	334.802	FDYNQWBKFSIPMX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-064047
Clc1cncc(c1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_320034053,MCULE-5643951061	334.804	KZCWTXQDEWJUNP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064048
O=C(Nc1cc(C)c(c(c1)C)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102008760	334.804	XTCDJFMTDRUADK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064049
O=C(Nc1cc(C)c(cc1Cl)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102024109	334.804	CUHVCDLOCWAUQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064050
O=C(Nc1cncc(c1)Cl)NCCc1nnc2n1CCCCC2	MCULE-8256063145,EMOLS-id_258195700	334.804	WFWSVTQSRWENGZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064051
O=C(NCCc1nnc2n1CCCCC2)Nc1ccc(Cl)cn1	EMOLS-id_276220145,MCULE-8430869349,ZINC22_175822172	334.804	VQNJRVAMWNWMCI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064052
Clc1cc2C(CCc2cc1F)NCc1nnc2n1CCCCC2	EMOLS-id_318226998,MCULE-8663635188	334.819	OIYKNCGLSVVFQZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-064053
c1(C#N)c2CCCCCc2sc1NC(=O)c1c(Cl)cnn1C	MCULE-2307889909,EMOLS-id_4015220,PC-id_4770591,ZINC22_2779598	334.824	WMEJVQUFCKGHSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064054
c1cc(c(c(c2-c1c(c(c2Cl)Cl)Cl)Cl)Cl)Cl	PC-id_90994071	334.841	IDFIMJILDHOBPY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-064055
Clc1c2-c(c(Cl)c1)cc(Cl)c(Cl)c(Cl)c2Cl	PC-id_15053928	334.841	GCMWEFXAFAHJQL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-064056
c1(c2CCCCCCc2sc1N)C(=O)Nc1ccc(cc1)Cl	CoCoCo_6806003,EMOLS-id_3785206,TIMTEC401426,PC-id_17371644,ZINC22_2558513,MCULE-2195530397	334.864	QHOPHYOIARLUHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064057
c1(c2CCCCCCc2sc1N)C(=O)Nc1ccccc1Cl	MCULE-2049631965,ZINC22_2558515,PC-id_17381088,EMOLS-id_3785210,TIMTEC77540,CoCoCo_6814809	334.864	BKDKANJLEJQQRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064058
c1(c2CCCCCCc2sc1N)C(=O)Nc1cccc(Cl)c1	MCULE-9437968333,EMOLS-id_3785208,CoCoCo_6814996,PC-id_17284977,TIMTEC566411,ZINC22_2558514	334.864	YDQDOBHYNADTPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064059
c1(NC(=O)CCc2ccc(cc2)Cl)sc2c(CCCCC2)n1	MCULE-2701261838,EMOLS-id_334605180	334.864	PIOHIHXCKPVDGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064060
Clc1ccc(CNC(=O)c2c3CCCCCc3sc2N)cc1	PC-id_20109799	334.864	QZDMYFWKMYFBFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064061
Clc1c(CNC(=O)c2c3CCCCCc3sc2N)cccc1	PC-id_20109798	334.864	AJNVNVBPKSSESX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064062
Clc1cc(NNC(=O)c2sc3CCCCCCc3c2)ccc1	PC-id_43009114	334.864	VNQZHVNFBFPMNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064063
NC(C(=O)N1CCCc2c(C1)ccs2)Cc1ccccc1Cl	MCULE-9935489605	334.864	PBYZAMOXPFFKEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064064
ClCCCCS(=O)(=O)NC(c1nnc2n1CCCCC2)C	PC-id_116815745	334.865	FTGIKNDEKGYXKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064065
ClCC(CS(=O)(=O)NC(c1n2CCCCCc2nn1)C)C	PC-id_79557213	334.865	PKPRWTYSSNPIFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064066
Clc1sc(/C(=N/c2sc3CCCCCc3c2C#N)/C)cc1	PC-id_17387600	334.887	YZFBXBOFIJQEGF-VXLYETTFSA-N	00000000100100000100000000000010000000000000000000000000	31-01-064067
Clc1sc(C(=Nc2sc3CCCCCc3c2C#N)C)cc1	PC-id_40569388,MCULE-1442917202	334.887	YZFBXBOFIJQEGF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-064068
[B](C)CC1(COc2cscc2OC1)[I]=C	PC-id_87152871	334.989	XTUUTCPFWBPMSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064069
C1Cn2c(nnc2N=[I]C1)C[C@@H](C[AlH2])N	PC-id_163950994	335.019	RZHHUHBUYWROSB-VMESQJNGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-064070
C1CCC2=NN=C(N2CC1)CCNC(=O)C3=CC=C(S3)[N+](=O)[O-]	MCULE-2152868863,PC-id_154768964,EMOLS-id_257873369	335.105	JDWFJAKCNQUXII-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-064071
C1CCC2=C(CC1)SC(=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4N3	PC-id_154773695,MCULE-3687450899,EMOLS-id_257834000	335.109	SWRMSTODVBALTB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-064072
CC1(COC2=CSC=C2OC1)CNCCC3=CC(=C(C=C3)O)O	PC-id_165154606	335.119	WMUKBYKKSPDARL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064073
N=C(C(F)(F)F)N(C1=CCC(=c2c(=C1)cc[nH]2)Br)N	PC-id_141903701	335.123	JBFTYJYBRSKNTI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-064074
COC(=O)C1=CC=C(C=C1)CC2CCCCC3=NNN=C3C2(F)F	PC-id_148918077	335.145	PJYXXXUUFVHGNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064075
Brc1n(c2NC(=O)CNC(=O)c2n1)Cc1ccccc1	PC-id_9997055	335.156	SVKQNFHIJIFRKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064076
CC1=C(C(=CC=C1)C(C)C)NC(=O)CN2C3=CC=CC=CC3=NC2=O	MCULE-7541182009,EMOLS-id_317361171,PC-id_154772177	335.163	XYJTZQFVIVAVNT-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-064077
CC(C)(C)C1=NC=C(S1)CN(C)CC2=NN=C3N2CCOCC3	ZINC22_1615547330,PC-id_164627141,EMOLS-id_320324299,MCULE-4561669614	335.178	DXVDMKQZSWRBQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064078
CCC(=O)c1c2-c(c(c1CBr)C(=O)OC)ccccc2	PC-id_101206695	335.192	BAZXANDCQQFHDI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-064079
Brc1cccc(c1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_29921853,ZINC22_36354570,PC-id_45491594,MCULE-2813070624,STOCK6S-87569	335.196	BXJWECQRWMVUAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064080
Brc1ccc(cc1)NC(=O)c1noc2c1CCCCC2	PC-id_4053940,EMOLS-id_15972048,STOCK6S-88242,TIMTEC267456,ZINC22_426572,ChEMBL-DNDi_CHEMBLC226-3492,MCULE-8005342161	335.196	KNYFWTPAKHLLEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064081
Brc1ccc(c(c1)N)C(=O)N1CCCc2c(C1)cco2	MCULE-2113479435,EMOLS-id_319956136	335.196	GYYCUZQKLICXJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064082
c1(C(=O)c2ccc(cc2)Br)n(O)c2c(CCCCC2)n1	CoCoCo_782893,ZINC22_210488,MCULE-2459929559,EMOLS-id_2153378,PC-id_755643,ChEMBL-DNDi_CHEMBL5794-0808	335.196	DPYUVEUOAQMOJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064083
Brc1ccc(nc1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671391	335.199	URXVKKWFXNYLKK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064084
Brc1cccnc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678183	335.199	JOXSICZEDSTFAT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064085
Brc1cncc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101668227	335.199	FPCGKSWXGLJMOJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064086
Brc1cnccc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674628	335.199	OPIDSZZWOSGAAK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064087
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccncc1Br	EMOLS-id_318902425	335.199	FPSNAXHAIRXESF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064088
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncc(c1)Br	EMOLS-id_320083464,MCULE-1830652144	335.199	XVLMTYVNWRATFW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064089
C[C@H]1CCCCN1CCNC(=O)C2=CC3=C(S2)N(CCCC3)C	PC-id_164640268	335.203	RVUPLYXOJLUFNJ-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-064090
Cc1c(n2c(n1)CC=CC(=N2)CCc1nc(ccc1)N1CCCC1)C	PC-id_163765159	335.211	MBQBIZAQHQOERI-UHFFFAOYSA-N	00000010100000101111100000000010000000000000000000000000	31-01-064091
Brc1ccc2-c(cc(OC(=O)CCCCCC)c2)cc1	PC-id_85631812	335.236	IEJRDKBJWDOURW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-064092
Brc1c(cccc1C)NCc1nnc2n1CCCCC2	EMOLS-id_318136462,MCULE-1869163014	335.242	DBXGHSHYJIAXLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064093
Brc1cc(ccc1C)NCc1nnc2n1CCCCC2	MCULE-2247505367,EMOLS-id_318309166	335.242	FYAMYQCSHHDASH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064094
Brc1ccc(c(c1)C)NCc1nnc2n1CCCCC2	MCULE-9824546466,EMOLS-id_318274149	335.242	HKHCFZWIFDRKTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064095
Brc1ccc(c(c1)NCc1nnc2n1CCCCC2)C	EMOLS-id_318109932,MCULE-7927597973	335.242	GCNMQXVLAHVTEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064096
Brc1ccc(cc1)NC(c1nnc2n1CCCCC2)C	MCULE-4872265453,PC-id_4160945,EMOLS-id_48965587	335.242	AINMEOPRENFHSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064097
Brc1ccc(nc1)C(c1nn2c(c1)NCCCC2)(C)C	PC-id_142202819	335.242	ABHWNABGOVKQDE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064098
Cc1ccc(c(c1)Br)NCc1nnc2n1CCCCC2	EMOLS-id_317998384,MCULE-5931910950	335.242	GYOXYHWDKDQXJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064099
Cc1cc(ccc1Br)NCc1nnc2n1CCCCC2	MCULE-1053611758,EMOLS-id_318137486	335.242	NIWLHPXTGSAGLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064100
Cc1c(cccc1Br)NCc1nnc2n1CCCCC2	MCULE-5122237444,EMOLS-id_318310191	335.242	SSQJLNSFVODTQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064101
Cc1ccc(c(c1)NCc1nnc2n1CCCCC2)Br	MCULE-4532895416,EMOLS-id_318249996	335.242	UVZWDHNNNBPEGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064102
Cc1cc(NCc2nnc3n2CCCCC3)cc(c1)Br	MCULE-7324807993,EMOLS-id_318321737	335.242	PCZVCUZITQPKIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064103
C[C@@H](Nc1ccc(Br)cc1)c1nnc2n1CCCCC2	PC-id_2311151,ZINC22_3172634	335.242	AINMEOPRENFHSJ-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064104
C[C@H](Nc1ccc(Br)cc1)c1nnc2n1CCCCC2	PC-id_2311152,ZINC22_3172632	335.242	AINMEOPRENFHSJ-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-064105
ICc1sc2c(c1)CCCCCC2CN	SCHEMBL18723815	335.247	ADVHKNWWJSTVTP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064106
NCC1CCCCCc2c1scc2CI	SCHEMBL18723818	335.247	DZGSMMVXCHGDJA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064107
ClC(Cl)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)N	PC-id_4415101	335.249	AUVIZMWGBMUPHP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064108
CNC([C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)B)O	SCHEMBL13811800	335.253	XJRBCBCUYCYLHA-PUODRLBUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064109
BrCCCCCCOC1COc2c(OC1)csc2	PC-id_57838372,SCHEMBL13701395	335.257	UYMBPXVMJPAFAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064110
Brc1ccc(C(=O)c2sc3CCCCCc3c2)cc1	PC-id_43462860	335.259	IRBMJMYNRDCEHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064111
C1Cn2cc(nc2OCCN1C(=O)Nc1ccc(cc1)F)[N+](=O)[O-]	PC-id_89580537,SCHEMBL14966280	335.29	RJROZTJKPVKUCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064112
BrC(c1sc2c(CCCCC2)c1)c1ccc(cc1)C	PC-id_63437215	335.302	RPETWCOKPDIKIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064113
BrC(c1sc2c(CCCCC2)c1)Cc1ccccc1	PC-id_63530728	335.302	QOBOJAOZDKAPBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064114
O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CCCc2c(C1)cco2	EMOLS-id_320040851,MCULE-7663430217	335.302	MJTPUGWNEGSYIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064115
O=C(c1ccc2c(c1)OC(O2)(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_101678390	335.305	RRUJWGVTQTXVNM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-064116
COCC(C(F)(F)F)(NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319676384	335.325	MNBCISBOUIBPFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064117
O=C(NCc1nnc2n1CCCCC2)NCCOCC(F)(F)F	PC-id_87000132	335.325	FTPZQAXXJBUIQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064118
OC(=O)C1=CN(CCc2c1scc2)C(=O)c1ccc(c(c1)F)F	PC-id_69564764,SCHEMBL5785675	335.325	OQUFNAFGHJEIHV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-064119
FC(F)(F)C1=CN(/C(=C(/c2n3CCCCCc3nn2)C#N)/C=C1)C	CoCoCo_3736416,PC-id_2321123	335.327	AKYAYDIZTPXJEZ-OUKQBFOZSA-N	00000000100011001101000000000010000000000000000000000000	31-01-064120
FC(F)(F)C1=CN(/C(=C(c2n3CCCCCc3nn2)/C#N)/C=C1)C	CoCoCo_3736417,PC-id_2321124,CHEMBL1578558,ChEMBL-DNDi_CHEMBL1578558	335.327	AKYAYDIZTPXJEZ-SEYXRHQNSA-N	00000000100011001101000000000010000000000000000000000000	31-01-064121
FC(F)(F)C1=CN(C(=C(c2n3CCCCCc3nn2)C#N)C=C1)C	PC-id_4251259,EMOLS-id_42601508,MCULE-8730315381	335.327	AKYAYDIZTPXJEZ-UHFFFAOYSA-N	00000000100011001101000000000010000000000000000000000000	31-01-064122
N#Cc1ccc(c(c1)C(F)(F)F)NCc1nnc2n1CCCCC2	EMOLS-id_318402872,MCULE-3563015942	335.327	VODFWZMYSKQSDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064123
N#Cc1ccc(cc1C(F)(F)F)NCc1nnc2n1CCCCC2	MCULE-5915338477,EMOLS-id_318402616	335.327	NIQXKDIBNQYPLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064124
N#Cc1ccc(cc1NCc1nnc2n1CCCCC2)C(F)(F)F	EMOLS-id_320239849,MCULE-7366404185	335.327	XGSLUOSFZPFHDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064125
N#Cc1ccc(C(F)(F)F)c(NCc2nnc3n2CCCCC3)c1	ZINC22_97163528,PC-id_75509992,MCULE-2159465577,EMOLS-id_49324003	335.327	OYSQKRUTEIUZFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064126
N#Cc1cc(C(F)(F)F)ccc1NCc1nnc2n1CCCCC2	MCULE-7740947542,PC-id_84591024,ZINC22_96482663,EMOLS-id_49116966	335.327	VTXOXVCCEHFHHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064127
N#Cc1cc(NCc2nnc3n2CCCCC3)ccc1C(F)(F)F	EMOLS-id_49320943,ZINC22_97144339,MCULE-6725495011,PC-id_75508417	335.327	RNVHHETZOTYKDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064128
S(c1n2CCCCCc2nn1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1	PC-id_60356605	335.338	ICDAYEXCOXOGIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064129
c1(NC(=O)C(F)(F)F)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC508454,ZINC22_4145014,SCHEMBL4156808,CoCoCo_106564,BAS-00629380,EMOLS-id_1252639,MCULE-9606643156,PC-id_613385,SPECS-id_AK-968/36977003	335.342	VQYQMDALBLMRNW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064130
c1(NC(=O)C(F)(F)F)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_6126342,TIMTEC161337,EMOLS-id_4015472,CoCoCo_6801017,PC-id_5193387,MCULE-6281016581	335.342	FZPYGICECPPNCD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064131
CCOC(=O)N1CCc2c(C(C1)C)cc(s2)C(=O)C(F)(F)F	SCHEMBL1181479,PC-id_66934154	335.342	PHWJIIMEVSCFFT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064132
O=C(COC(=O)c1cc2c(s1)CCCCC2)NCC(F)(F)F	MCULE-1192873906,EMOLS-id_3308885,PC-id_4832657,CoCoCo_2861324,ZINC22_5361842	335.342	VFYJFAVLFRNTGH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064133
O=C(N[C@H](CC(F)(F)F)C(=O)O)c1cc2c(s1)CCCCC2	ZINC22_262466500	335.342	IYGFTUWRMIRJMY-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064134
O=C(N[C@@H](CC(F)(F)F)C(=O)O)c1cc2c(s1)CCCCC2	ZINC22_262466502	335.342	IYGFTUWRMIRJMY-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-064135
OC(=O)C(CC(F)(F)F)NC(=O)c1cc2c(s1)CCCCC2	PC-id_121642571	335.342	IYGFTUWRMIRJMY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064136
s1c2c(CCCCC2)c(c1NC(=O)CC(F)(F)F)C(=O)OC	PC-id_52638624	335.342	IZPDSPRDPJUTPK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064137
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1cccc(F)c1F	MCULE-5358202434,EMOLS-id_43172956,ZINC22_72478421,PC-id_56914583	335.348	SLLGVZFDEOTDNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064138
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1)OC(F)F	EMOLS-id_320193804,MCULE-1730478311	335.348	AFOAWIBXKRKVGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064139
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Oc1ccc(c(c1)F)F)C	EMOLS-id_319874955,MCULE-2839867546	335.348	JSAWPJQEXFNBMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064140
COCC1CCn2nccc2CN1C(=O)c1cc(F)c(F)cc1C	EMOLS-id_313819684	335.348	UIEFHDFNMOMRDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064141
COC[C@H]1CCn2nccc2CN1C(=O)c1cc(F)c(F)cc1C	ZINC22_585098110	335.348	UIEFHDFNMOMRDK-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064142
COC[C@@H]1CCn2nccc2CN1C(=O)c1cc(F)c(F)cc1C	ZINC22_585098117	335.348	UIEFHDFNMOMRDK-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064143
FC(F)Oc1cccc(c1)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-2285215189,EMOLS-id_55672093,ZINC22_222517785,PC-id_91784249	335.348	WFLMYQMBEMDBCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064144
FC(Oc1ccc(cc1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C)F	EMOLS-id_318034470	335.348	YWDMAWYOSFJPKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064145
O=C(c1ccc(c(c1F)F)O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_320272920,MCULE-8712901583	335.348	HTNCUHKXWZLSTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064146
O=C(c1c(nc2n1CCCC2)C(F)F)N1CCCc2c(C1)cco2	EMOLS-id_316704286	335.348	DGGFDRFJYGEDID-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-064147
CC(=O)NCc1nnc2CCN(Cc3ccc(F)cc3F)CCn12	ZINC22_20210513,MCULE-3228975961,PC-id_28738943,EMOLS-id_20463705	335.352	VBXJJYSHWXQVKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064148
Fc1ccc(c(c1)F)C(C(=O)NCc1nnc2n1CCCCC2)N	EMOLS-id_318337885	335.352	KSLVBFDOJSDYIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064149
Fc1ccc(c(c1)F)C(NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_318943623	335.352	BDEHSDDPTWBLHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064150
Fc1cc(CCNC(=O)N2CCCn3c(C2)cc(n3)N)cc(c1)F	MCULE-8882947533,EMOLS-id_319971682	335.352	DAYPLNVRRIVFIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064151
Fc1c(NC(=O)NCCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_18144688	335.352	KXCUJJKJHJWKHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064152
FC(C(c1ccccc1)NC(=O)N1CCCn2c(C1)cc(n2)N)F	EMOLS-id_319628234	335.352	WRRHYQXBJKGGJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064153
Nc1cc2n(n1)CCCN(C(=O)NCc1cccc(C(F)F)c1)C2	ZINC22_1615058438,EMOLS-id_317033801,MCULE-9246112395	335.352	ZDRMNUTWTYKMSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064154
O=C(c1c(F)cncc1F)NCCCc1nnc2n1CCCCC2	MCULE-8606497362,EMOLS-id_320207582	335.352	FVDYNKRGOLDKLE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064155
O=C(c1c(nc2n1CCCC2)C(F)F)N1CCCc2c(C1)c[nH]n2	MCULE-8289515206,EMOLS-id_320082600	335.352	IZWMEECUFIKXDL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-064156
O=C(N1CCCc2c(C1)c[nH]n2)Cn1nc(cc1C1CC1)C(F)F	EMOLS-id_316656592	335.352	AKTVCJBIFSQFKN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-064157
O=C(N1CCCc2c(C1)cnn2C)NC(c1c(F)cncc1F)C	EMOLS-id_101700053	335.352	OITQRFPOHVETBB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064158
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccccc1C(F)(F)C	EMOLS-id_319068512	335.352	OGLSFBMPOFYAEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064159
O=C(N1CCCn2c(C1)cc(n2)N)NCc1ccc(cc1)C(F)F	EMOLS-id_319013101	335.352	LXQYSYTZQQIDLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064160
O=C(N1CCCn2c(C1)cc(n2)N)NC(c1ccc(c(c1)F)F)C	MCULE-5672896889,EMOLS-id_319967660	335.352	BTCPGFNISZPYAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064161
O=C(N1CCCn2c(C1)cc(n2)N)NCCc1ccc(c(c1)F)F	MCULE-5340335905,EMOLS-id_320020939	335.352	RQNVXNGOVFMBJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064162
c12C(=O)NCCCc1nc(NC(=O)c1ccc(OC)c(F)c1)s2	PC-id_72720031,ZINC22_211131566,EMOLS-id_50139273,MCULE-6318500147	335.353	RUQIGIKQPVXYLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064163
c12C(=O)NCCCc1nc(NC(=O)COc1ccc(cc1)F)s2	PC-id_72719977,ZINC22_211129021,MCULE-7527914103,EMOLS-id_50139203	335.353	TWORLMJVWAHRER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064164
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)COc1ccccc1F	PC-id_90625388	335.353	YNFZBUHGWOBOOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064165
O(C(=O)c1c2-c(nc1NC(=O)Nc1ccccc1)ccccc2)CC	PC-id_10806709	335.357	YVJLUEGNGNEHTQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-064166
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1noc(COC)n1	EMOLS-id_43152256,PC-id_56907563,MCULE-9189831463,ZINC22_72463359	335.358	FVPUVKRTXQFBTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064167
c1(onc(O)c1)C(=O)N1CCCn2c(cc(n2)C(O)CN(C)C)C1	MCULE-8851960333,EMOLS-id_55630538,PC-id_91769798	335.358	VBNUYKMXUPQQCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064168
Cc1c(c(=O)[nH][nH]1)CC(=O)N1CCCn2c(cc(n2)C(CO)O)C1	PC-id_91762363	335.358	ANNGMJQNPIOHES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064169
CCCN1C(=O)NC(CC(=O)N2CCc3[nH][nH]c(=O)c3CC2)C1=O	EMOLS-id_55647216,MCULE-5842087775,PC-id_91834842	335.358	WRYITPUFOSREGC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064170
CCCN1C(=O)N[C@H](CC(=O)N2CCc3[nH][nH]c(=O)c3CC2)C1=O	ZINC22_244873545	335.358	WRYITPUFOSREGC-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064171
CCCN1C(=O)N[C@@H](CC(=O)N2CCc3[nH][nH]c(=O)c3CC2)C1=O	ZINC22_244873546	335.358	WRYITPUFOSREGC-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-064172
CN1N=C(CCC1=O)C(=O)N1CCCn2nc(cc2C1)C(O)CO	EMOLS-id_55646790,PC-id_91775549,MCULE-6023209687	335.358	NXKSGALLQZSZBC-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-064173
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(O)no1)C2	ZINC22_219315069,PC-id_100038274	335.358	VBNUYKMXUPQQCB-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064174
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(O)no1)C2	ZINC22_219315096,PC-id_100038275	335.358	VBNUYKMXUPQQCB-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064175
CNNC(=O)C1=C(C=O)Oc2c(C(C1)C)nn(c2C(=O)N(C)C)C	PC-id_142262399	335.358	GBQXXZWQYYBCQY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-064176
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)C1=NN(C(=O)CC1)C)O	PC-id_99974406	335.358	NXKSGALLQZSZBC-ZDUSSCGKSA-N	00000000100011000101000000000010000000000000000000000000	31-01-064177
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)C1=NN(C(=O)CC1)C)O	PC-id_99974407	335.358	NXKSGALLQZSZBC-CYBMUJFWSA-N	00000000100011000101000000000010000000000000000000000000	31-01-064178
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1c(C)[nH][nH]c1=O)O	PC-id_99971844	335.358	ANNGMJQNPIOHES-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064179
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1c(C)[nH][nH]c1=O)O	PC-id_99971845	335.358	ANNGMJQNPIOHES-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064180
Cc1ccc2oc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)cc2n1	ZINC22_179000280	335.36	WDHXIMGNDIEAKW-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-064181
Cc1ccc2oc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)cc2n1	ZINC22_179000289	335.36	WDHXIMGNDIEAKW-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-064182
N#CC(c1nnc2n1CCCCC2)C(=O)c1oc2c(c1)nc(cc2)C	MCULE-9999679690,PC-id_121530267,EMOLS-id_73017169	335.36	WDHXIMGNDIEAKW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-064183
N#CC(C(=O)c1noc2c1CCCCC2)c1[nH]c2c(n1)c(C)ccn2	EMOLS-id_101031898	335.36	DRBXAMRITXQQHU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-064184
O=C(c1ccnnc1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575403971	335.36	JVWLDIOBUFKMDX-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064185
O=C(c1ccnnc1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575403972	335.36	JVWLDIOBUFKMDX-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064186
O=C(c1ccnnc1)N1Cc2cccn2C[C@H](Oc2cccnc2)C1	ZINC22_247852479	335.36	JIUZPUMLIJHGRG-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064187
O=C(c1ccnnc1)N1Cc2cccn2C[C@@H](Oc2cccnc2)C1	ZINC22_247852483	335.36	JIUZPUMLIJHGRG-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064188
O=C(N1CC(Cn2cccc2C1)Oc1ccccn1)c1ccnnc1	EMOLS-id_55750723	335.36	JVWLDIOBUFKMDX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064189
O=C(N1CC(Cn2cccc2C1)Oc1cccnc1)c1ccnnc1	EMOLS-id_50013980	335.36	JIUZPUMLIJHGRG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064190
[O-][N+](=O)c1c(/C=C/C=C(/c2n3CCCCCc3nn2)C#N)cccc1	PC-id_2688636	335.36	RTCCMKNUPPWVOM-SKAFZBRJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064191
[O-][N+](=O)c1c(C=CC=C(c2n3CCCCCc3nn2)C#N)cccc1	PC-id_4816132	335.36	RTCCMKNUPPWVOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064192
Cc1nnnn1CCC(=O)N1CCCn2nc(cc2C1)C(O)CO	EMOLS-id_55619588,PC-id_91765991,MCULE-9202295914	335.362	JKKAMZZKKPXNTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064193
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)CCn1nnnc1C)O	PC-id_99972695	335.362	JKKAMZZKKPXNTO-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064194
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)CCn1nnnc1C)O	PC-id_99972696	335.362	JKKAMZZKKPXNTO-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064195
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc2c(c1)n(C)nn2	EMOLS-id_99455462	335.363	YBKDNGBITIJFON-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-064196
COc1cc(CN2CCCn3nc(cc3C2)C(O)CO)ccc1F	MCULE-4439120225,EMOLS-id_50533295,PC-id_90649374	335.373	UYBHTECUXYRZIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064197
COc1cc(CN2CCCn3nc([C@@H](O)CO)cc3C2)ccc1F	PC-id_100045660,ZINC22_219686770	335.373	UYBHTECUXYRZIW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064198
COc1cc(CN2CCCn3nc([C@H](O)CO)cc3C2)ccc1F	PC-id_100045662,ZINC22_219686845	335.373	UYBHTECUXYRZIW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064199
FC1(F)CCC(CC1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_318952728	335.373	IFHSELGYJYOMIX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064200
Cc1cc2OCOc2cc1S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99303050	335.375	CVHIWYWYKGQAAQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-064201
c1(C(=O)Nc2ccc(cc2)S(=O)(=O)N)c2CCCCCc2on1	PC-id_17254345,TIMTEC128313,EMOLS-id_20815051,GD-id_ZINC20478510,MCULE-8852226792,ZINC22_20478510	335.378	DOVHWRGIIUAOKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064202
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc2c(c1)OCO2	EMOLS-id_318855331	335.378	JERMJLOYEWZTLZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-064203
COc1cccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c1	PC-id_53182776,MCULE-1703127609,EMOLS-id_33086230	335.378	MGBAGUOADCKJKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064204
COc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)cc1	PC-id_53182777,EMOLS-id_33086232,MCULE-5409233083	335.378	DJYCCQZRPXAXEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064205
COC(=O)c1ccccc1S(=O)(=O)N1CCCn2cncc2C1	MCULE-2066751735,EMOLS-id_43142024,PC-id_56904108,ZINC22_72150002	335.378	OCUBLZUHIIEYBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064206
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1cnccc1C	EMOLS-id_112094645	335.378	CWGWYLWQKUTZDV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064207
O=C(O)c1csc(CCNC(=O)c2noc3c2CCCCC3)n1	ZINC22_263073451,PC-id_121967118,MCULE-6522270673,EMOLS-id_72643145	335.378	PHXUNNYPSQRNCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064208
FCCn1ncc(c1)NC(=O)N(Cc1nnc2n1CCCCC2)C	MCULE-3458664415,EMOLS-id_320222459	335.38	SJKQPXCLIJBLOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064209
Cc1c(sc(n1)CNC(=O)c1nn2CC(CNC(=O)c2c1)O)C	PC-id_135096723	335.381	PQBLAWABJFSMJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064210
C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1nnc2n1CCCCC2	PC-id_95156116,ZINC22_65591514	335.381	FAOJLDCIPNYBAK-VIFPVBQESA-N	00000000100100000101000000000010000000000000000000000000	31-01-064211
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1nnc2n1CCCCC2	PC-id_95156117,ZINC22_65591516	335.381	FAOJLDCIPNYBAK-SECBINFHSA-N	00000000100100000101000000000010000000000000000000000000	31-01-064212
O=C(c1ccc(s1)[N+](=O)[O-])NC(c1nnc2n1CCCCC2)C	MCULE-1986274046,EMOLS-id_35699518,PC-id_53517784	335.381	FAOJLDCIPNYBAK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-064213
O=S(=O)(c1ccc2c(c1)CCO2)NC1CCn2c(CC1)nnn2	EMOLS-id_102026563	335.381	WHQHQFYPKJIYQY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-064214
O=S(=O)(c1cccc2c1OCC2)NC1CCn2c(CC1)nnn2	EMOLS-id_102028676	335.381	STKJNRKSMDLMNK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-064215
s1c2c(CCCCC2)c(c1NC(=O)Cn1nnnc1)C(=O)OC	PC-id_52638650	335.381	ICTBOWITKHRYAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064216
S(c1n2CCCCCc2nn1)CC(=O)NNC(=O)c1occc1	PC-id_7876988	335.381	ZECSDZBUTIKHGL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-064217
c12C(CCCCn1nnn2)C(=O)NCCC(=O)Nc1sccn1	PC-id_74241855,MCULE-8336062193,EMOLS-id_49662878	335.385	IMQXODUVPNNRKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064218
CC(C)NC(=O)C1CN(Cc2ncnn2C1)C(=O)c1csnn1	EMOLS-id_313721562	335.385	LTTVYBAKYQQYJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064219
CC(C)NC(=O)[C@@H]1CN(C(=O)c2csnn2)Cc2ncnn2C1	ZINC22_1565549111	335.385	LTTVYBAKYQQYJW-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064220
CC(C)NC(=O)[C@H]1CN(C(=O)c2csnn2)Cc2ncnn2C1	ZINC22_1614931733	335.385	LTTVYBAKYQQYJW-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-064221
CCOC(=O)N1CCc2c(CC1)cc(s2)C(C(F)(F)F)(C)C	PC-id_66934306,SCHEMBL1182146	335.385	ZOGMFFYEYURTDD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064222
NNC(=O)c1c(N=Nc2c(N)[nH][nH]c2=O)sc2c1CCCCC2	PC-id_145965413	335.385	RFGUQNQELPVIRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064223
O=C(CCNC(=O)[C@@H]1CCCCn2nnnc12)Nc1nccs1	PC-id_97927250,ZINC22_97632049	335.385	IMQXODUVPNNRKN-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064224
O=C(CCNC(=O)[C@H]1CCCCn2nnnc12)Nc1nccs1	PC-id_97927251,ZINC22_97632050	335.385	IMQXODUVPNNRKN-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-064225
CC(C)OCc1ncn2c1CN(Cc1ccc(F)c(F)c1)CCC2	EMOLS-id_313728472,ZINC22_1204223574	335.392	HYNQKINXRVCGLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064226
CCOC(=O)c1cn(c2c1C(=O)CC(CC2)C)C(=O)OC(C)(C)C	PC-id_20762222,SCHEMBL6502999	335.395	LQANETVTYTYJIW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064227
CC(=O)C1=CCc2c(C=C1OCc1ccccc1)n(cc2C)C(=O)C	PC-id_142912471	335.396	AMRUGUMLDNUSJR-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-064228
CCOc1cccc(=O)c2c1c(C)n(c2C)CC(=O)c1ccccc1	CNP0377301,CK1984382,ZINC22_489787,ChEMBL-DNDi_CHEMBL1384137,PC-id_907804,CoCoCo_363825,BAS-07248949,CHEMBL1384137,STOCK1N-41750,MCULE-4343254496,EMOLS-id_1495833	335.396	MSAHQVZXNVTTDD-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-064229
CCOC(=O)c1cc2c(C)n(Cc3ccccc3)c(C)c2ccc1=O	EMOLS-id_15207408,PC-id_16647705,CoCoCo_6598065,MCULE-2185640581,ZINC22_12249913	335.396	QZOQZCHGGTWNCY-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-064230
COC(=O)c1ccc(CSc2nnc3n2CCCCC3)cc1F	MCULE-6889965232,PC-id_121589959,EMOLS-id_73005938,ZINC22_89116982	335.396	YGENYRWYGGEYBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064231
FC1=Cc2sc(nc2C=CC1)NN(C(=O)C(C(=C)C)C)C(=O)C	SCHEMBL20880375,PC-id_138527449	335.396	MPCRBGVSSXGMHV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-064232
S(c1n2CCCCCc2nn1)CC(=O)c1cc(F)c(OC)cc1	PC-id_8521419	335.396	IYGBIWBXRSEKSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064233
S(c1n2CCCCCc2nn1)CC(=O)c1c(OC)ccc(F)c1	PC-id_7876732	335.396	CCCFIKPFIKONEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064234
c12CN(CCCn1nc(/C=C/C(=O)OCC)c2)C(=O)OC(C)(C)C	EMOLS-id_177873482,PC-id_112547162,ZINC22_261361129,MCULE-1106048571	335.398	QDFUVQONUXCZLM-BQYQJAHWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064235
c1(C(=O)OC)cc2n(CCCN(C(=O)C3CCOC(C)(C)C3)C2)n1	MCULE-8883347643,EMOLS-id_32426136,PC-id_50978818	335.398	PZGQZWPSYZMGMB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064236
CC1(C)CNC(=O)c2c(C(=O)N[C@H](C(=O)N)C(C)(C)C)coc2C1	ZINC22_1433429407	335.398	UQJVSBGYJLCXEL-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064237
CC(C)(C)OC(=O)N1CC(NC(=O)c2noc3c2CCCCC3)C1	EMOLS-id_50354039,PC-id_99698091,MCULE-5808857028,ZINC22_153642255	335.398	RFWLQYUUIVDTPG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-064238
CCN(C1CC(C1)NC(=O)c1noc2c1CCCCC2)CC(=O)O	PC-id_121899137	335.398	JSISWKUJCAKZFD-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-064239
CCN(C1CC(C1)NC(=O)N1CCCc2c(C1)cco2)CC(=O)O	PC-id_122026622	335.398	MDKAGNAEVJKEGK-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-064240
CN(C(=O)C1CCC(O1)CNC(=O)c1noc2c1CCCCC2)C	EMOLS-id_101003299	335.398	PPQCMMJGQBRBRL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064241
COC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]1CCOC(C)(C)C1)C2	PC-id_95141857,ZINC22_65493924	335.398	PZGQZWPSYZMGMB-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064242
COC(=O)c1cc2n(n1)CCCN(C(=O)[C@H]1CCOC(C)(C)C1)C2	PC-id_95141859,ZINC22_65493927	335.398	PZGQZWPSYZMGMB-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064243
COC(=O)C(C1CCN(CC1)C(=O)c1n[nH]c2c1CCCCC2)O	EMOLS-id_76033972,PC-id_121569652,MCULE-8290168644	335.398	CSFJWVJPHWKZQF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064244
COC(=O)[C@H](O)C1CCN(C(=O)c2n[nH]c3c2CCCCC3)CC1	ZINC22_190799801	335.398	CSFJWVJPHWKZQF-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064245
COC(=O)[C@@H](O)C1CCN(C(=O)c2n[nH]c3c2CCCCC3)CC1	ZINC22_190799819	335.398	CSFJWVJPHWKZQF-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064246
NC(=O)CC(C1CCOCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101012810	335.398	XJXOHCSBVFHESN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064247
O1CCN(C[C@@H](O)CN2CCCc3[nH]c(c(c3C2=O)C)C=O)CC1	PC-id_59250063,SCHEMBL13415567	335.398	UAGBLXSAMJELRN-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064248
O1CCN(C[C@H](O)CN2CCCc3[nH]c(c(c3C2=O)C)C=O)CC1	PC-id_59250080,SCHEMBL3139332	335.398	UAGBLXSAMJELRN-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064249
O1CCN(CC(O)CN2CCCc3[nH]c(c(c3C2=O)C)C=O)CC1	PC-id_72261523,SCHEMBL3135362	335.398	UAGBLXSAMJELRN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064250
O=C(C1(CCCO1)C(=O)N1CCCc2c(C1)c[nH]n2)OC(C)(C)C	EMOLS-id_278991268	335.398	SQMDGRMIKDZSNW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064251
O=C(c1coc2c1C(=O)NCCC2)NCCCN1CCOCCC1	MCULE-2978823451,EMOLS-id_320050577	335.398	OXVNVWDVDKGQNB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064252
O[C@@H]1CN(C[C@H]1N1CCOCC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_318908625	335.398	LDTARKSDNZRANI-ZIAGYGMSSA-N	00000010100010000101100000000010000000000000000000000000	31-01-064253
OC(=O)C1(CCOCC1)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_320044703,MCULE-8292313782	335.398	HLLIONPGSWWOQX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064254
OC(=O)C(C1CCOCC1)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_320156790,MCULE-4593602697	335.398	KBWYWIGMTDQZMF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064255
c12cncn1CCCN(C(=O)CC(c1ccccc1)c1ccco1)C2	PC-id_56892378,EMOLS-id_43099271,MCULE-8907508275	335.4	XUHGROBHYNIDQU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-064256
CCc1ccc(cc1)C(NC(=O)Cn1c(=O)nc2-c1ccccc2)C	EMOLS-id_319479568	335.4	SVFCPKWGGGCSPV-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-064257
CC(Cc1ccccc1C)NC(=O)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_319370400	335.4	NRSKCGZXXXLELK-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-064258
CO/C(=Cc1ccccc1)/C(=O)CCc1cc2c([nH]1)C=NC(=CC2)N	SCHEMBL20762606,PC-id_137516958	335.4	ADZRVEOSDIWHHB-ODLFYWEKSA-N	00000000100000110110000000000010000000000000000000000000	31-01-064259
O=C(c1cnn(c1C)c1ccccc1C)N1CCCc2c(C1)cco2	EMOLS-id_99333253	335.4	MTPRINGFMGCLKG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064260
O=C(C[C@H](c1ccccc1)c1ccco1)N1CCCn2cncc2C1	ZINC22_72145711	335.4	XUHGROBHYNIDQU-GOSISDBHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-064261
O=C(C[C@@H](c1ccccc1)c1ccco1)N1CCCn2cncc2C1	ZINC22_72145712	335.4	XUHGROBHYNIDQU-SFHVURJKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-064262
c12C(=O)NCC(O)Cn1nc(C(=O)NC1CCN(CC1)C(C)C)c2	MCULE-1610459476,PC-id_91829415,EMOLS-id_55608990	335.401	BBNMWYVJBJTTGT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064263
CCCN1CCCN(CC1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135113063	335.401	TUQHQAVCBMHYPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064264
CC(C)N1CCC(NC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC1	ZINC22_243901449	335.401	BBNMWYVJBJTTGT-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064265
CC(C)N1CCC(NC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)CC1	ZINC22_243901450	335.401	BBNMWYVJBJTTGT-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064266
CC(C)NC(=O)C1CN(Cc2ncnn2C1)C(=O)CC1(O)CCC1	EMOLS-id_313721306	335.401	PMCCDTSOADSGNB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-064267
CC(C)NC(=O)[C@@H]1CN(C(=O)CC2(O)CCC2)Cc2ncnn2C1	ZINC22_1565549333	335.401	PMCCDTSOADSGNB-GFCCVEGCSA-N	00001000100000000101000000000010000000000000000000000000	31-01-064268
CC(C)NC(=O)[C@H]1CN(C(=O)CC2(O)CCC2)Cc2ncnn2C1	ZINC22_1614934213	335.401	PMCCDTSOADSGNB-LBPRGKRZSA-N	00001000100000000101000000000010000000000000000000000000	31-01-064269
CC(=O)N1CCC(CC1)CC(=O)N1CCc2nn(c(=O)n2CC1)C	PC-id_91922402	335.401	IOTFDUBLJCLLRW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064270
CC(=O)NCC(=O)N1Cc2nccn2C[C@H](CN2CCOCC2)C1	PC-id_97462956,ZINC22_96188520	335.401	BGQGTPNYTJRMLK-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064271
CC(=O)NCC(=O)N1Cc2nccn2C[C@@H](CN2CCOCC2)C1	PC-id_97462957,ZINC22_96188521	335.401	BGQGTPNYTJRMLK-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064272
CC(=O)NCC(=O)N1CC(CN2CCOCC2)Cn2ccnc2C1	EMOLS-id_44326361	335.401	BGQGTPNYTJRMLK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064273
CN1CCOC(C1=O)C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_316707905	335.401	XOBGKLCGRQGNKL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064274
COCCn1ccnc1CN1CCCn2c(C1)cc(n2)[C@H](CO)O	PC-id_99984106	335.401	RQUITACDYWVMBE-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064275
COCCn1ccnc1CN1CCCn2c(C1)cc(n2)[C@@H](CO)O	PC-id_99984109	335.401	RQUITACDYWVMBE-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064276
COCCn1ccnc1CN1CCCn2nc(cc2C1)C(O)CO	PC-id_91786827,MCULE-9315773513,EMOLS-id_55679523	335.401	RQUITACDYWVMBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064277
O=C(N1C(CCC(C1)C(=O)N)C)Cn1nc2n(CCCCC2)c1=O	PC-id_60516895	335.401	VOKLNAIZLAMOSK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064278
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1cnn(c3ccccc3)c1)n2	ZINC22_65403920,MCULE-7103778916,PC-id_50963129,EMOLS-id_32396570	335.403	MQNXSGLQSXFWGD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064279
c1ccc(CN2Cc3cncn3C[C@@H](COc3cccnc3)C2)nc1	PC-id_97477411,ZINC22_96209284	335.403	ATKYTYPIIKBRHY-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064280
c1ccc(CN2Cc3cncn3C[C@H](COc3cccnc3)C2)nc1	ZINC22_96209283,PC-id_97477410	335.403	ATKYTYPIIKBRHY-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064281
c1ccc(nc1)CN1CCCn2c(C1)c(COc1cccnc1)nc2	PC-id_97520060	335.403	HAXXUMLXTOTKNI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064282
c1ccc(OC[C@H]2CCn3nccc3CN2Cc2cccnc2)nc1	ZINC22_585097131	335.403	HQXJPMKWFHRTHF-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064283
c1ccc(OC[C@@H]2CCn3nccc3CN2Cc2cccnc2)nc1	ZINC22_585097133	335.403	HQXJPMKWFHRTHF-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064284
Cc1cc(C)n(c2ccc(C(=O)N3CCCn4cncc4C3)cc2)n1	MCULE-5236007818,EMOLS-id_43556693,PC-id_70708687,ZINC22_77297983	335.403	CPNVSPZERITHQH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064285
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)c1cnn(c1)C	EMOLS-id_319458423	335.403	ASNVGUVJGCXHJS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064286
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)Cn1cccn1	EMOLS-id_319047544	335.403	LKYDVBFSIWJRCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064287
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1Cn1cccn1	EMOLS-id_319983919,MCULE-8259948750	335.403	QCPCCIVHIPAXKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064288
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)Cn1cncc1	EMOLS-id_319169612	335.403	HGXCLOSPKXVOKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064289
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)n1ccc(n1)C	EMOLS-id_319854416	335.403	GGBMBVYJTHPTCP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064290
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)ccc1n1cncc1	EMOLS-id_320115705,MCULE-9675659538	335.403	HDPWCDPGXDPSEU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064291
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccn1Cc1ccncc1	EMOLS-id_319078682	335.403	KINDEJYBLMUJLO-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-064292
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(nn1c1ccccc1)C	EMOLS-id_319225384	335.403	TWUFIVLUAFCRFA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064293
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(nn1C)c1ccccc1	EMOLS-id_318998719	335.403	LRKBRZSQSICGLX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064294
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn(n1)Cc1ccccc1	MCULE-5698203457,EMOLS-id_320109627	335.403	NHNCNUNHDQUTGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064295
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(nc1c1ccccc1)C	EMOLS-id_318867974	335.403	ALLMVZIYSIMKSA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064296
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1c1ccccc1)C	EMOLS-id_319331571	335.403	SCOHGWVTEGTUJF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064297
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1)c1ccccc1C	MCULE-3676367968,EMOLS-id_320033858	335.403	GQJRLVBIOYMQCL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064298
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(nc1C)c1ccccc1	EMOLS-id_318798263	335.403	VFCWJIMYAOTFKD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064299
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1)Cc1ccccc1	EMOLS-id_318830462	335.403	FRGIYICDVFWFBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064300
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1C)c1ccccc1	MCULE-6754599551,EMOLS-id_320252204	335.403	JLQMQHRBFXWZER-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064301
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]nc(c1)c1ccc(cc1)C	EMOLS-id_318906028	335.403	OFOCDEGNYPMQLE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064302
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nn(cc1C)c1ccccc1	EMOLS-id_319007067	335.403	XEPJQOPBPKCAGE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064303
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1)n1cccn1	MCULE-7448167152,EMOLS-id_320208294	335.403	MPYRSXKWXXGBPA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064304
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1)n1cncc1	EMOLS-id_320096717,MCULE-5515532592	335.403	XAOIBSDYPZXOHG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064305
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cnn(c1)c1ccccc1	MCULE-7395311959,EMOLS-id_319975711	335.403	DUXWYGCOKDWFGP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064306
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(n1cccn1)c1ccccc1	EMOLS-id_318911309	335.403	YLAZKFPYHMWYMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064307
CC1CN(Cc2cc(O)nc(n2)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_319728568	335.403	HYQOFELYOJKROG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064308
C(Oc1ccccn1)C1CCn2nccc2CN1Cc1cccnc1	EMOLS-id_313743542	335.403	HQXJPMKWFHRTHF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064309
C(Oc1cccnc1)C1CN(Cc2ccccn2)Cc2cncn2C1	EMOLS-id_49233053	335.403	ATKYTYPIIKBRHY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064310
n1c(Cc2ccccc2)nn2CCN(Cc3ccc(=O)[nH]c3)CCc12	ZINC22_2356151182,EMOLS-id_337824820,MCULE-2598310466	335.403	VZOBVGMGTIZKMM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-064311
n1c(CNC(=O)c2cccc(c2)c2cn[nH]c2)c2c(CCCCC2)[nH]1	ZINC22_828172143,MCULE-5454927420,EMOLS-id_232893879	335.403	UIHNHSVDJWRCTK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064312
n1c(CNC(=O)c2ccccc2c2[nH]ccn2)c2c(CCCCC2)[nH]1	EMOLS-id_177440838,ZINC22_584894890,MCULE-2582863089	335.403	WBXQWVBGGSTAHQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064313
n1c(CNC(=O)c2ccc(cc2)n2cccn2)c2c(CCCCC2)[nH]1	EMOLS-id_222759972,MCULE-2656812487,ZINC22_670443341	335.403	NUCUGVYPJGLQFH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064314
N#CC1(CC(C1)NC(=O)C1CCn2c(CC1)nnc2)c1ccccc1	EMOLS-id_318771790	335.403	GPDIPQHEPLKKEZ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-064315
N#Cc1cccc(c1)NC1CN(C1)C(=O)c1cnc2n1CCCCC2	EMOLS-id_316645740	335.403	ODNPOFGABQGFOF-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-064316
O=C(c1ccccc1c1ncc[nH]1)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319799564	335.403	KETNNXWMHILEDP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064317
O=C(c1cnc2n1CCCCC2)NCc1ccccc1c1[nH]ccn1	EMOLS-id_316590428	335.403	DKCCHIJONACZAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064318
O=C(c1n[nH]c2c1CCCCC2)Nc1cnn(c1)Cc1ccccc1	SCHEMBL15565170,PC-id_73292392	335.403	LDFWHPBGRCOZAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064319
O=C(c1n[nH]c2c1CCCCC2)NCc1ccccc1c1[nH]ccn1	EMOLS-id_316588891	335.403	LEXXZHIQVHGQDU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064320
O=C(Cc1ccccc1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	PC-id_97389383,ZINC22_96067059	335.403	PYSBIJPFSWJKFU-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064321
O=C(Cc1ccccc1)N1Cc2nccn2C[C@H](Cn2cccn2)C1	ZINC22_96067058,PC-id_97389382	335.403	PYSBIJPFSWJKFU-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064322
O=C(Cc1ccccc1)N1CC(Cn2cccn2)Cn2ccnc2C1	EMOLS-id_46160683	335.403	PYSBIJPFSWJKFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064323
O=C(N1CCCc2c(C1)cnn2C)Cc1ccc(cc1)n1cncc1	EMOLS-id_318313856	335.403	JVVLXDOIECNNON-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064324
O=C(NCc1cccc(c2cc[nH]n2)c1)[C@H]1CCc2nccn2CC1	ZINC22_2325803134	335.403	SBGGXXQGJCJYNJ-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064325
O=C(NCc1cccc(c2cc[nH]n2)c1)[C@@H]1CCc2nccn2CC1	ZINC22_2325803135	335.403	SBGGXXQGJCJYNJ-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064326
O=C(NCc1nnc2n1CCCCC2)c1ccc(n2cccc2)cc1	ZINC22_48324511,MCULE-8681143936,EMOLS-id_30708360,PC-id_47019778	335.403	WXDXKQKNXZFSIJ-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-064327
CCCN1CCCN(CC1=O)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168874	335.405	PJNIFEIDEISGLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064328
CC(CN1CCN(CC1=O)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102168820	335.405	NPCLCPSHJIQEEN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064329
O=C(NC1CCn2c(CC1)nnn2)CNC(=O)NC1CCCCC1	EMOLS-id_102164476	335.405	OFJPIIJAHCRZIH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064330
O=C(NC1CC(=O)N(C1)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102182808	335.405	JLOVZPRPBKLXNZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064331
c1ccc(CN2CCCn3cnc(CNc4ncccn4)c3C2)nc1	EMOLS-id_44370394,PC-id_97519506,ZINC22_96259422	335.406	GSGOTZMIQVHKGK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064332
c1cnc(NCc2ncn3c2CN(Cc2cccnc2)CCC3)nc1	PC-id_97519505,ZINC22_96259421,CHEMBL3552667	335.406	CFDXZYLWMOSLOE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064333
Cc1cc(NCc2nnc3n2CCCCC3)nc(c2ccccn2)n1	EMOLS-id_48231610,MCULE-9079572190,PC-id_75420249,ZINC22_68660250	335.406	FMPGTMFLRSREGU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-064334
O=C(Nc1nc2ccsc2s1)N[C@@H]1CCc2nnnn2CC1	ZINC22_333867135	335.408	RFEKFXDPMPXULL-SSDOTTSWSA-N	00000000100000000101000100000010000000000000000000000000	31-01-064335
O=C(Nc1nc2ccsc2s1)N[C@H]1CCc2nnnn2CC1	ZINC22_333867138	335.408	RFEKFXDPMPXULL-ZETCQYMHSA-N	00000000100000000101000100000010000000000000000000000000	31-01-064336
O=C(Nc1sc2c(n1)ccs2)NC1CCn2c(CC1)nnn2	MCULE-3854358874,EMOLS-id_102023992	335.408	RFEKFXDPMPXULL-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-064337
FC(C(CS(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C)(C)C)F	EMOLS-id_319214352	335.413	BQHYUHSGYMPTKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064338
S(=O)(=O)([O-])CCCCOC1COc2c(OC1)c(sc2C)C	PC-id_58479010	335.416	RZTRSBOBGQRMMB-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-064339
CC(Oc1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99307469	335.418	OIANZLWKNUJKNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064340
S(=O)(=O)(NCC(=O)O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194719	335.418	FUGGYCRGLCNVGU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-064341
O=C1[S+]=C2C(=CC=CC=C2)C1=Cc1c(=O)sc2-c1ccccc2	PC-id_101247850	335.419	IDCKJMUXMUAMPY-UHFFFAOYSA-N	00000011100000000110000000000110000000000000000000000000	31-01-064342
FC1(CCC1)C(=O)N1CCCn2c(CN3CCCCC3)nnc2C1	EMOLS-id_313732051,ZINC22_1565545982	335.42	QCBHIZGLZAYTRY-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-064343
FC1CC(C1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_313784218,ZINC22_585110551	335.42	UGZVHHOJNJRMTO-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-064344
FC1(CCC1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	ZINC22_585110553,EMOLS-id_313729496	335.42	WBGCCBCOYNOOKI-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-064345
c12CN(CCCn1nc(CO)c2)CCS(=O)(=O)c1ccccc1	PC-id_91767927,MCULE-4553968909,EMOLS-id_55625104	335.421	CMJMJCOVYZYOIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064346
c1(C(=O)NCc2noc(CCOC)n2)cc2c(CCCCC2)s1	PC-id_91759697,MCULE-5858670194,EMOLS-id_55601942	335.421	PXDLFFOJYXZQNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064347
Cc1cccc(c1)S(=O)(=O)N1CCCc2c(C1)c(=O)n(n2C)C	PC-id_97471113	335.421	QOMUEVHBTFETSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064348
Cc1cccc(O[C@H](C)c2nnc3n2CCS(=O)(=O)CC3)c1C	ZINC22_630950881	335.421	GUYKHXOJRFXDNF-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064349
Cc1cccc(O[C@@H](C)c2nnc3n2CCS(=O)(=O)CC3)c1C	ZINC22_630950882	335.421	GUYKHXOJRFXDNF-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064350
Cc1ccc(OCCS(=O)(=O)N2CCCn3cncc3C2)cc1	ZINC22_72154793,PC-id_56896242,EMOLS-id_43115285,MCULE-8906262918	335.421	VAHYAIQYLIMPKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064351
CC(c1nnc2n1CCS(=O)(=O)CC2)Oc1cccc(c1C)C	EMOLS-id_313163842,MCULE-1932359739	335.421	GUYKHXOJRFXDNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064352
CCCS(=O)(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575403624	335.421	IEQKCBOWUBAVJH-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064353
CCCS(=O)(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575403625	335.421	IEQKCBOWUBAVJH-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064354
CCCS(=O)(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751061	335.421	IEQKCBOWUBAVJH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064355
CCOc1ccccc1CS(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_189678651,ZINC22_192917188,MCULE-8857161324	335.421	FLWNWPYXRSUUIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064356
CCOc1ccsc1C(=O)N1Cc2ccnn2C[C@H](OCC)C1	ZINC22_253381611	335.421	FJRYQXHTFXIFLJ-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-064357
CCOc1ccsc1C(=O)N1Cc2ccnn2C[C@@H](OCC)C1	ZINC22_253381612	335.421	FJRYQXHTFXIFLJ-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-064358
CCOCC1CN(Cc2nccn2C1)S(=O)(=O)c1ccccc1	PC-id_118740797,EMOLS-id_44325835	335.421	JTPLBIDQAOFTCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064359
CCOC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1	ZINC22_96187802,PC-id_97462255	335.421	JTPLBIDQAOFTCY-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064360
CCOC[C@@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1	ZINC22_96187803,PC-id_97462256	335.421	JTPLBIDQAOFTCY-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064361
CCS(=O)(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_575406267	335.421	WLHCYYKJNOLRKN-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064362
CCS(=O)(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_575406273	335.421	WLHCYYKJNOLRKN-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064363
CCS(=O)(=O)N1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_100271257	335.421	PLZULJSBTMTOGC-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064364
CCS(=O)(=O)N1CCCn2c(cc(n2)C(c2ccccc2)O)C1	PC-id_91794345	335.421	PLZULJSBTMTOGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064365
COc1ccc(cc1C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948292	335.421	AIEUBRMYGVFRGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064366
COc1ccc(c(c1)C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948382	335.421	KUIYUNQFSXHACM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064367
COc1ccc(cc1C)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319315385	335.421	RUWLITHZTJLLLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064368
COc1ccc(cc1S(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101946012	335.421	QHKNXHZMWBRDNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064369
COc1ccc(CCS(=O)(=O)c2nnc3n2CCCCC3)cc1	PC-id_91662577,ZINC22_195579483,EMOLS-id_50616332,MCULE-4238850806	335.421	ABSFJGQLQLNSMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064370
COC1CN(Cc2ccc(cc2)S(=O)(=O)C)Cc2ccnn2C1	EMOLS-id_50008356	335.421	XIDXGOXGQVXGQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064371
COc1nn(C)c2c1CCCN(S(=O)(=O)c1cccc(C)c1)C2	PC-id_97515539,ZINC22_96254489,EMOLS-id_44366664	335.421	TXDJNGFPAMECDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064372
COc1nn(C)c2c1CCCN(S(=O)(=O)Cc1ccccc1)C2	ZINC22_96254488,PC-id_97515538	335.421	HJVHLAGQCJWKPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064373
COCc1cccc(c1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318836790	335.421	KEVJIQWEPKQNAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064374
COCc1ccc(cc1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319618923	335.421	METFWAFMGIMLTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064375
S(c1c2-c(c(cc(cc2C)C)C)cc1)c1sc2c(n1)cccc2	PC-id_12381641	335.486	ILUJHZOIZSJZFX-UHFFFAOYSA-N	00000010100000100111000001000010000000000000000000000000	31-01-064724
COCc1ccccc1S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320199405,MCULE-1509833987	335.421	QTQCOOVOQSQOLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064376
COCC1CCn2nccc2CN1S(=O)(=O)c1ccc(C)cc1	EMOLS-id_313819685	335.421	AUHKZGKRGDVNHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064377
COCC1CN(Cc2ccnn2C1)S(=O)(=O)c1ccc(C)cc1	EMOLS-id_44326819	335.421	YPQVHKCJAQAYDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064378
COCC1CN(Cc2cncn2C1)S(=O)(=O)c1ccccc1C	EMOLS-id_49231011	335.421	RPUCSDAMWWTUQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064379
COCC1CN(Cc2cncn2C1)S(=O)(=O)c1cccc(C)c1	EMOLS-id_49231043	335.421	SNABXRJRPOPSND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064380
COCCC1CN(Cc2cccn2C1)S(=O)(=O)c1cccnc1	EMOLS-id_313745846	335.421	UPBACDNBSHXZQX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064381
COCC[C@@H]1CN(S(=O)(=O)c2cccnc2)Cc2cccn2C1	ZINC22_585095507	335.421	UPBACDNBSHXZQX-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064382
COCC[C@H]1CN(S(=O)(=O)c2cccnc2)Cc2cccn2C1	ZINC22_585095508	335.421	UPBACDNBSHXZQX-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064383
COC[C@@H]1CCn2nccc2CN1S(=O)(=O)c1ccc(C)cc1	ZINC22_585096706	335.421	AUHKZGKRGDVNHE-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064384
COC[C@H]1CCn2nccc2CN1S(=O)(=O)c1ccc(C)cc1	ZINC22_585096707	335.421	AUHKZGKRGDVNHE-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064385
COC[C@@H]1CN(S(=O)(=O)c2ccccc2C)Cc2cncn2C1	ZINC22_96207997,PC-id_97476124	335.421	RPUCSDAMWWTUQZ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064386
COC[C@H]1CN(S(=O)(=O)c2ccccc2C)Cc2cncn2C1	ZINC22_96207998,PC-id_97476125	335.421	RPUCSDAMWWTUQZ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064387
COC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2ccnn2C1	PC-id_97463337,ZINC22_96188912	335.421	YPQVHKCJAQAYDV-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064388
COC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2ccnn2C1	PC-id_97463338,ZINC22_96188913	335.421	YPQVHKCJAQAYDV-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064389
COC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2cncn2C1	PC-id_97476151,ZINC22_96208024	335.421	SNABXRJRPOPSND-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064390
COC[C@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2cncn2C1	PC-id_97476152,ZINC22_96208025	335.421	SNABXRJRPOPSND-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064391
CO[C@H]1CN(Cc2ccc(S(=O)(=O)C)cc2)Cc2ccnn2C1	ZINC22_247906631	335.421	XIDXGOXGQVXGQZ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064392
CO[C@@H]1CN(Cc2ccc(S(=O)(=O)C)cc2)Cc2ccnn2C1	ZINC22_247906633	335.421	XIDXGOXGQVXGQZ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064393
COC(=O)c1oc(cc1C)C(Sc1nnc2n1CCCCC2)C	PC-id_121587237,EMOLS-id_73046913,MCULE-7502406792	335.421	DDSXSBUQVSZHQH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-064394
COC(=O)c1oc([C@@H](C)Sc2nnc3n2CCCCC3)cc1C	ZINC22_126161579	335.421	DDSXSBUQVSZHQH-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-064395
COC(=O)c1oc([C@H](C)Sc2nnc3n2CCCCC3)cc1C	ZINC22_126161784	335.421	DDSXSBUQVSZHQH-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-064396
O=C(c1sc2c(c1)CCCCCC2)NN1C(=O)C(N(C1=O)C)C	EMOLS-id_278457445	335.421	BDMQLMIKJSFUKZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064397
O=C(N1CCCCc2c1sc(n2)C)CCCN1C(=O)CCC1=O	EMOLS-id_318871981	335.421	SYOHUQNAKQECLF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064398
O=S(=O)(c1cnn(c1)C1CCCC1)N1CCCc2c(C1)cco2	EMOLS-id_320232726,MCULE-3147494031	335.421	QGAWIAHCZTUXPX-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-064399
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(=O)NC1CC1	PC-id_9507163	335.421	RDVPLNQWBISLCJ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-064400
c1(csc(CN(C)C)n1)C(=O)N1CCCn2nc(CO)cc2C1	PC-id_91762139,MCULE-5044589669,EMOLS-id_55608826	335.425	HMMWHAIYGZLWMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064401
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(nc1)N(C)C	EMOLS-id_319174432	335.425	RYEZSACCXZDOCD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064402
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1nc2n(c1)CCCC2	MCULE-4834731690,EMOLS-id_319911986	335.425	XSBRPZGAXAXZJG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-064403
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CCCN1CCc2c(CC1)nc(s2)OC1CCN(C1)C1CCC1	SCHEMBL175797,PC-id_66614514	335.507	AAGBDSGTKBICCL-UHFFFAOYSA-N	00001010100000000101100000000010000000000000000000000000	31-01-064755
CC(CN1CCC(CC1)C(=O)N1CCCCc2c1sc(n2)C)C	MCULE-5416031075,EMOLS-id_320019511	335.507	MDMAATVEMMFWKB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064756
CCN1CCCCCC1CN1CCc2c(C(C1=O)NC)scc2	PC-id_23554760,SCHEMBL14171067	335.507	IENGMUUHCNPRQO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064757
CN1CCN(CC1)CCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_86908173	335.507	CYMFZLRSDYDWMG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064758
CN1CCN(CCNC(=O)c2cc3c(s2)CCCCCC3)CC1	MCULE-1706016627,EMOLS-id_49902845,ZINC22_53717749,PC-id_86776545	335.507	RGLSOYMQSCZYEC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064759
CNC1C(=O)N(CCc2c1scc2)CC1CCCCN(C1)CC	SCHEMBL14171081,PC-id_23554764	335.507	GTHUKRQCWHCSIV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064760
CN(C)CCC1CN(Cc2cccn2C1)C(=O)C1CCSCC1	EMOLS-id_313746356	335.507	PRYHQKABRMMQFG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064761
CN(C)CC[C@@H]1CN(C(=O)C2CCSCC2)Cc2cccn2C1	ZINC22_585095319	335.507	PRYHQKABRMMQFG-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064762
CN(C)CC[C@H]1CN(C(=O)C2CCSCC2)Cc2cccn2C1	ZINC22_585095321	335.507	PRYHQKABRMMQFG-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064763
O=C(c1sc2c(c1)CCCCCC2)NCCCN1CCNCC1	MCULE-8371521510,PC-id_119391765,EMOLS-id_301318453	335.507	SKXVLYKVQXGKSQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064764
O=C(C(C1CCCCC1)N)NCCc1nc2c(s1)CCCCC2	EMOLS-id_320236601,MCULE-3054955678	335.507	QIEQOLOJFOCMJN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064765
c1c(CN2CCN(C3CCSCC3)CC2)nn2c1CNCCC2	ZINC22_72153316,MCULE-7341025918,EMOLS-id_43111787,PC-id_56895389	335.511	UIAWPWALLCKPGX-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-064767
s1c2c([C@H]([NH+](CC2)Cn2nc3n(c2=S)CCCCC3)C)cc1	PC-id_9321145	335.511	NXAXZGRAJOQXGP-GFCCVEGCSA-O	00000000100010000101000000010010000000000000000000000000	31-01-064768
s1c2c([C@@H]([NH+](CC2)Cn2nc3n(c2=S)CCCCC3)C)cc1	PC-id_9321150	335.511	NXAXZGRAJOQXGP-LBPRGKRZSA-O	00000000100010000101000000010010000000000000000000000000	31-01-064769
s1c2c(C([NH+](CC2)Cn2nc3n(c2=S)CCCCC3)C)cc1	PC-id_84980709	335.511	NXAXZGRAJOQXGP-UHFFFAOYSA-O	00000000100010000101000000010010000000000000000000000000	31-01-064770
s1c(C2[NH+](CCC2)Cn2nc3n(c2=S)CCCCC3)ccc1	PC-id_78646156	335.511	UNKNXTRLMSLQIT-UHFFFAOYSA-O	00000010100100000101100000000010000000000000000000000000	31-01-064771
s1c([C@H]2[NH+](CCC2)Cn2nc3n(c2=S)CCCCC3)ccc1	PC-id_8262677	335.511	UNKNXTRLMSLQIT-ZDUSSCGKSA-O	00000010100100000101100000000010000000000000000000000000	31-01-064772
s1c([C@@H]2[NH+](CCC2)Cn2nc3n(c2=S)CCCCC3)ccc1	PC-id_8262680	335.511	UNKNXTRLMSLQIT-CYBMUJFWSA-O	00000010100100000101100000000010000000000000000000000000	31-01-064773
CCCCCCCCCCCCn1c(c2c(c1C)OCCCO2)C	PC-id_89759376,SCHEMBL15198918	335.524	DWICATYOIFVRBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064774
s1c(C(=O)NC2CC[NH+](CC2)C(C)C)cc2c1CCCCCC2	PC-id_42562595	335.527	UIVYWRWLGHEBRO-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-064775
s1c(C(=O)NC2CC[NH+](CC2)CCC)cc2CCCCCCc12	PC-id_9264935	335.527	WCCFVGXCCARRAQ-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-064776
CCN(S(=O)(=O)c1c2-c(cc1[Si](C)(C)C)ccccc2)CC	PC-id_102183677	335.536	NSYKTORYBPKJDC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-064777
C[C@@H]1CCCC(C)(C)CCCN(c2nc(CCNC1=C)cs2)C	PC-id_145399728	335.55	MORQACMGHQYHPF-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064778
O=C(c1cc(Cl)c2c(c1)OCO2)NC1CCn2c(CC1)nnn2	EMOLS-id_102168223	335.746	VNXPOJGFFGPRSP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-064779
O=C(Oc1ccc2-c1ccc(cc2)Cl)CNC(=O)OC(C)(C)C	PC-id_145988077	335.782	CBRJOQLKRVDYRG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-064780
c12CN(CCCn1nc(CO)c2)Cc1cc2OCOc2cc1Cl	EMOLS-id_55610599,MCULE-5279695894,PC-id_91762775	335.785	LCOGOEPNQTYHHV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-064781
c1(C(=O)OC)cc2n(CCCN(Cc3cc(Cl)ccc3O)C2)n1	EMOLS-id_32372242,MCULE-8865555383,PC-id_50950352,ZINC22_65372461	335.785	RVRJQQKGTUZGLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064782
Clc1ccc(COC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_60401291	335.785	GXXZVDANHZTSLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064783
COC(=O)C1CCc2n(CC1)c(nn2)COc1ccc(cc1)Cl	MCULE-4897972491,EMOLS-id_316955969,PC-id_136557183	335.785	XLLSGLZUXXZDEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064784
COC(=O)[C@@H]1CCc2nnc(COc3ccc(Cl)cc3)n2CC1	ZINC22_601045390	335.785	XLLSGLZUXXZDEY-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064785
COC(=O)[C@H]1CCc2nnc(COc3ccc(Cl)cc3)n2CC1	ZINC22_601045391	335.785	XLLSGLZUXXZDEY-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-064786
OCC1CCn2nccc2CN1C(=O)COc1cccc(Cl)c1	EMOLS-id_313815854	335.785	CBAYWAILCRZAPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064787
O=C(COc1cccc(Cl)c1)N1Cc2ccnn2CC[C@H]1CO	ZINC22_585096748	335.785	CBAYWAILCRZAPF-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064788
O=C(COc1cccc(Cl)c1)N1Cc2ccnn2CC[C@@H]1CO	ZINC22_585096749	335.785	CBAYWAILCRZAPF-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064789
COc1ccc(cc1Cl)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319386380	335.789	QQAGYQBOMSRJBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064790
COc1ccc(cc1NC(=O)N1CCCn2c(C1)cc(n2)N)Cl	EMOLS-id_319537569	335.789	KZPIPLNWFOIWEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064791
COc1cc(NC(=O)N2CCCc3c(cnn3C)C2)cc(Cl)n1	MCULE-1067309235,EMOLS-id_177323843,ZINC22_585119735	335.789	RTWAARHDEWBBNE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064792
CC(c1ncc(c(n1)C(=O)NC1CCn2c(CC1)nnn2)Cl)C	EMOLS-id_102162667	335.792	WQTZVADPCLHQAI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-064793
CCNc1ncc(cc1Cl)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319166104	335.792	LBQQYVVGCONSSM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064794
CC(C)(C(=O)N1CCCc2occc2C1)c1cccc(Cl)c1F	ZINC22_574555018	335.8	PFYTWCSTJLYWGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064795
CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(Cl)cc1F	ZINC22_582570301	335.8	BHWYTWQEIWXZBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064796
CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(F)c(Cl)c1	ZINC22_2325825597	335.8	WMYCJMKODWMDQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064797
Fc1cccc(Cl)c1CC(=O)NCc1n[nH]c2CCCCCc12	ZINC22_219706602,PC-id_90649397,MCULE-8420060836,EMOLS-id_50533367	335.804	OYZJHJNOYSZLCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064798
c12C(=O)NCCCc1nc(NC(=O)Cc1ccccc1Cl)s2	MCULE-2589794795,PC-id_72719982,EMOLS-id_50139213,ZINC22_211129471	335.809	FXGARWSWQQXHLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064799
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Cc1ccc(cc1)Cl	PC-id_90625394	335.809	MREXIWQJBCEPIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064800
NC(=O)c1nc2CCN(CCc2s1)C(=O)c1ccc(Cl)cc1	ZINC22_96264767,EMOLS-id_44379368,PC-id_97524700	335.809	BXXIYRAGXVYTCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064801
N#CC(c1nnc2n1CCCCC2)C(=O)c1nc(sc1C)Cl	EMOLS-id_278183629	335.812	HUPLHVBHNQLMDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064802
c12CN(CCOc3c(C)cccc3Cl)CCCn1nc(CO)c2	MCULE-1034180239,EMOLS-id_55603606,PC-id_91760291	335.828	MDHXPIBDNBMINR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064803
COc1ccc(CN2CCCn3nc(cc3C2)C(C)O)cc1Cl	EMOLS-id_50549403,PC-id_90653744,MCULE-7735901168	335.828	PWLHYLBSBQDSFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064804
COc1ccc(CN2CCCn3nc([C@H](C)O)cc3C2)cc1Cl	ZINC22_221425467,PC-id_100067920	335.828	PWLHYLBSBQDSFU-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064805
COc1ccc(CN2CCCn3nc([C@@H](C)O)cc3C2)cc1Cl	ZINC22_221425519,PC-id_100067921	335.828	PWLHYLBSBQDSFU-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064806
OC(CN1CC(C)Cc2c(C1)cn[nH]2)COc1ccc(cc1)Cl	EMOLS-id_319510708	335.828	ANSUHBIBGUOHQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064807
CC(C(=O)N(C)Cc1n[nH]c2CCCCCc12)n1cc(Cl)cn1	EMOLS-id_32389632,MCULE-8762332962,PC-id_50959443	335.832	WSNUZYMKMHPJPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064808
C[C@@H](C(=O)N(C)Cc1n[nH]c2c1CCCCC2)n1cc(Cl)cn1	PC-id_95206681,ZINC22_67739831	335.832	WSNUZYMKMHPJPT-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-064809
C[C@H](C(=O)N(C)Cc1n[nH]c2c1CCCCC2)n1cc(Cl)cn1	PC-id_95206682,ZINC22_67739832	335.832	WSNUZYMKMHPJPT-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064810
FCC[C@@](c1nnc2n1CCCCCC2)(c1ccc(cc1)Cl)C	PC-id_142840527	335.847	KMOUPEITGNSEKZ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064811
Clc1cc(CN2CCc3c(sc(c3)C(=O)OC)CC2)ccc1	SCHEMBL3304011,PC-id_68588428	335.848	MMWGFHCVCZUZMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064812
Clc1cc(NC(=O)c2sc3CCCCCc3c2)c(OC)cc1	PC-id_7900755	335.848	FMEVQMYNEOGZNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064813
COC(=O)[C@H](c1ccccc1Cl)N1CCc2c(CC1)ccs2	PC-id_143451161	335.848	CCNQYIAQQGOWNE-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064814
c12C(=O)NCCCc1[nH]c(CCSCc1ccc(cc1)Cl)n2	EMOLS-id_49879716,ZINC22_215565791,MCULE-9773715136,PC-id_77086171	335.852	HSGQETXZAWKHMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064815
c12N=C(O)CSC(C(C)C)c1cnn2Cc1ccc(cc1)Cl	PC-id_135634182,MCULE-1482302206,EMOLS-id_44214503,STOCK7S-35642,EMOLS-id_44237553	335.852	TZRVBDXSUJKWTA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-064816
c12N=C(O)CSC(C(C)C)c1cnn2Cc1ccccc1Cl	STOCK7S-33085,PC-id_135634576,EMOLS-id_44238856,MCULE-5481386254,EMOLS-id_44209680	335.852	OSSQVVSYVIJIMW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-064817
c1(NC(=O)Nc2ccccc2Cl)sc2c(CCCCCC2)n1	MCULE-2978250612,EMOLS-id_16329864,PC-id_20966641,CoCoCo_2552422	335.852	UQXRJVAWCWVDEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064818
c1(NC(=O)Nc2ccc(c(Cl)c2)C)sc2c(CCCCC2)n1	MCULE-3025482769,CoCoCo_2552407,PC-id_20966627,EMOLS-id_16329836	335.852	BOPGBQALYPWTRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064819
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1C[C@H]1c1ccc(s1)Cl	EMOLS-id_319950678,MCULE-5087140729	335.852	CZEAOELZPOGWTP-JZXPMDSESA-N	00100000100100000101100000000010000000000000000000000000	31-01-064820
CC(C)[C@H]1SCC(=Nc2c1cnn2Cc1ccccc1Cl)O	ZINC22_79484193,PC-id_136669691	335.852	OSSQVVSYVIJIMW-OAHLLOKOSA-N	00000000100000110111000000000010000000000000000000000000	31-01-064821
CC(C)[C@@H]1SCC(=Nc2c1cnn2Cc1ccccc1Cl)O	ZINC22_79484196,PC-id_136669692	335.852	OSSQVVSYVIJIMW-HNNXBMFYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-064822
CC(C)[C@H]1SCC(=Nc2c1cnn2Cc1ccc(Cl)cc1)O	PC-id_136669882,ZINC22_79495483	335.852	TZRVBDXSUJKWTA-OAHLLOKOSA-N	00000000100000110111000000000010000000000000000000000000	31-01-064823
CC(C)[C@@H]1SCC(=Nc2c1cnn2Cc1ccc(Cl)cc1)O	PC-id_136669883,ZINC22_79495485	335.852	TZRVBDXSUJKWTA-HNNXBMFYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-064824
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)c1cccc(Cl)c1	PC-id_29514113,ZINC22_21466169	335.852	FSRRJSYYNXGGAN-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064825
C[C@H](Sc1nnc2n1CCCCC2)C(=O)c1cccc(Cl)c1	ZINC22_21466172,PC-id_29514115	335.852	FSRRJSYYNXGGAN-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-064826
Clc1cccc(c1)C(=O)C(Sc1nnc2n1CCCCC2)C	MCULE-1957411055,EMOLS-id_30658513,PC-id_42985700	335.852	FSRRJSYYNXGGAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064827
Clc1ccc(C(=O)[C@@H](Sc2n3CCCCCc3nn2)C)cc1	PC-id_8521420	335.852	CUCVUYGAEXCMCP-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-064828
BrC(c1sc2c(CCCCC2)c1)Cc1ncccc1	PC-id_66454396	336.29	DYZDVLMELVHRKD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-064875
Clc1ccc(C(=O)[C@H](Sc2n3CCCCCc3nn2)C)cc1	PC-id_8521421	335.852	CUCVUYGAEXCMCP-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064829
Clc1ccc(C(=O)C(Sc2n3CCCCCc3nn2)C)cc1	PC-id_42984359	335.852	CUCVUYGAEXCMCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064830
Clc1ccc(NC(=O)Nc2sc3CCCCCCc3n2)cc1	MCULE-2684019833,PC-id_20966643,EMOLS-id_16329868,CoCoCo_2552424	335.852	XICHTJKMAPIQQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064831
Clc1cc(NC(=O)Nc2sc3CCCCCCc3n2)ccc1	PC-id_20966640,EMOLS-id_16329862,CoCoCo_2552421,MCULE-1303076495	335.852	HZHYXYQDTSXXPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064832
CNc1ccc(c(c1)Cl)C(=O)N1CCCCc2c1sc(n2)C	MCULE-3030230072,EMOLS-id_319944418	335.852	KVNZLDSAECHDMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064833
S=C(NCc1nnc2n1CCCCC2)Nc1cccc(Cl)c1	ZINC22_20621762,MCULE-6882568772,CoCoCo_3839700,EMOLS-id_29959110,PC-id_45795002	335.855	DXUPAGYCODSCTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064834
C1C2=C(C(=CO2)OS(=O)(=O)C(F)(F)F)O[SiH2]O[SiH2]O1	PC-id_151209728	335.94	NKAGGQIQLWNUQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064835
N#Cc1ccc2-c(cc1C#N)c(cc2Br)Br	SCHEMBL17232516,PC-id_118491504	335.982	CLOPJWNACUGPSF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-064836
CBCC1([I]=C)COc2c(OC1)csc2	SCHEMBL765621	335.997	CUNNZZYHJZWSNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064837
CCOC(=O)C1=NN2CCCCOC2=C1I	PC-id_153545593	335.997	HMUNWFRUECAADZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064838
COC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCCC3=NNC(=O)N23)Cl	PC-id_164634896	336.099	NAVWPJJJUZKQEC-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-064839
CC(=O)NC1=C(C(=C(C=C1)OCC2=NN=C3N2CCCCC3)F)F	PC-id_154799365	336.14	MCGWHUHUSGBBQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064840
CC1(CC2=C(C(=CO2)C(=O)N3CCOCC3COC)C(=O)NC1)C	MCULE-6525465972,EMOLS-id_317743292,PC-id_154783303	336.169	AFVVCZUTBFFENM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064841
Brc1cccc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102171506	336.187	UISJOFIOKATZGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064842
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncc(cn1)Br	EMOLS-id_319650842	336.187	LZZQWVGVQANMRG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-064843
CN1C/C(=Cc2cn(nc2)C)/c2cc(nn2CC1=O)Br	PC-id_135342358,SCHEMBL20516636	336.187	XWMMKFNFBFUKRS-XCVCLJGOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064844
O=C(c1ccccc1Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102171536	336.187	VJGKMZOZNJPQBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064845
P(PP)(P)n1nnc2CCCN(CCCC)C(=O)c12	PC-id_20872182	336.187	JOEPGZGUVNZDOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064846
CC1=CC(=C2C=CC(=C2C(=C1)C)C(C3=CC=CC=C3)C4=CC=CC=C4)C	PC-id_154113580	336.188	JFEDJRYSFMTRSV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-064847
OC(=O)c1c(I)sc2CCCCCCc12	EMOLS-id_259566353,MCULE-9278594504	336.189	ACKNDSHJDUFIPV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064848
Brc1cc(Cn2cc3CCCCC(=O)c3c2)ccc1F	PC-id_83208755	336.199	KWEYFZDJJIKKIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064849
Brc1cc(Cn2cc3CCCCC(=O)c3c2)cc(F)c1	PC-id_83205577	336.199	CJDRISAPERQERR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064850
Brc1cc(F)c(Cn2cc3CCCCC(=O)c3c2)cc1	PC-id_83206026	336.199	HWQOFUNHCNNBME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064852
Brc1c(Cn2cc3CCCCC(=O)c3c2)cccc1F	PC-id_83208753	336.199	PLFMIBVVUNCHCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064853
Brc1c(Cn2cc3CCCCC(=O)c3c2)ccc(F)c1	PC-id_83207268	336.199	HLLKKBMPWLWBRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064854
Brc1c(OC2CCN(Cc3oc(cc23)C)C)cccc1	PC-id_68412245	336.224	UFEZLWLFFBBKKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064855
Brc1c(n(nc1C)C)Cn1cc2CCCCC(=O)c2c1	PC-id_83207270	336.227	DHCXWIKFQRHZLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064856
Brc1c(cccc1C)CNC1CCn2c(CC1)nnn2	MCULE-2776887135,EMOLS-id_318645816	336.23	GVUITOUTGGXNHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064857
Brc1ccc(c(c1)C)CNC1CCn2c(CC1)nnn2	MCULE-5560753057,EMOLS-id_318187474	336.23	YXKYKWRXCSQDNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064858
Brc1c(C)ccnc1NCc1nnc2n1CCCCC2	MCULE-8410297065,EMOLS-id_317931719	336.23	ZZMLSKBFNLUOJG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064859
Brc1cc(CNC2CCn3c(CC2)nnn3)ccc1C	EMOLS-id_318070442,MCULE-8147553046	336.23	QXZUPJKTTUQCHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064860
Brc1cncc(c1)CNCc1nnc2n1CCCCC2	EMOLS-id_318208330,MCULE-4909803799	336.23	BSBBWURCBPQOCA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064861
Cc1cc(Br)cnc1NCc1nnc2n1CCCCC2	PC-id_71913840,EMOLS-id_45680951,MCULE-7138265401,ZINC22_89591601	336.23	SBJUJPHXQYXEBX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064862
Cc1ccc(c(c1)Br)CNC1CCn2c(CC1)nnn2	MCULE-9889432751,EMOLS-id_317980157	336.23	ZEVKKYHPMBAVOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064863
Cc1ccc(c(n1)NCc1nnc2n1CCCCC2)Br	MCULE-8666355860,EMOLS-id_318604103	336.23	PYOIMCHKKFHHRK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064864
Cc1cc(CNC2CCn3c(CC2)nnn3)ccc1Br	MCULE-7209296989,EMOLS-id_318313403	336.23	KUPKBNONFQYPKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064865
Cc1cc(ncc1Br)NCc1nnc2n1CCCCC2	MCULE-5029754813,EMOLS-id_317976524	336.23	MVDSEGCGUQXALM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064866
CC1CN(Cc2c(C1)[nH]nc2)C(c1ncc(cn1)Br)C	EMOLS-id_319780259	336.23	RKTMDSQJZFWFOV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-064867
Cc1cnc(c(c1)Br)NCc1nnc2n1CCCCC2	EMOLS-id_318129490,MCULE-2964003869	336.23	NINHDCLGSAKSME-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064868
Cc1nc(ccc1Br)NCc1nnc2n1CCCCC2	MCULE-7656222303,EMOLS-id_318110163	336.23	YBAUUFBLHASQPY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064869
ClC(Cl)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_5007178	336.234	XBNYCQHKFYSFQO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064870
FC(F)C1(O)C(C(=O)c2c(C(=O)C1)c(oc2C)C)C(=O)C(F)F	PC-id_21601503	336.236	HZZXKSJHZNZVPX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064871
Brc1ccc(C(N)c2sc3c(CCCCC3)c2)cc1	PC-id_43463958	336.29	QXOLRNIXZYCVMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064872
Brc1sc2c(c1C)CCN(CC2)Cc1ccccc1	PC-id_68474521,SCHEMBL3005262	336.29	CGIMFRCZZDLOMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-064873
O=C(N1CCCc2c(C1)cco2)Nc1ccc2c(c1)OC(O2)(F)F	EMOLS-id_99352162	336.29	SXNAOSDYSMEYEB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-064876
O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CCCn2c(C1)cnn2	EMOLS-id_319558216	336.294	QEHBRZDRRRLFBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064877
CCOC(=O)c1sc(c2c1OCC(CO2)(F)F)C(=O)OCC	PC-id_69546165,SCHEMBL5730753	336.308	SJOWZNPBSSIWPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064878
[Na+].c12c(n(cn1)CCc1cc(CC(=O)[O-])ccc1)NC=NCC2O	CHEMBL290157	336.321	XBAQIIDBLMEKMM-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-064879
[Na+].c12c(n(cn1)CCCc1cc(C(=O)[O-])ccc1)NC=NCC2O	CHEMBL431512	336.321	QESZLMISFJBLOC-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-064880
[Na+].c12c(n(cn1)CCCc1c(C(=O)[O-])cccc1)NC=NCC2O	CHEMBL39430	336.321	WRYNUGRMWMGKHS-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-064881
C1CN(CCC1CC1C=NCCn2cc(nc2O1)[N+](=O)[O-])C(=O)[O-]	SCHEMBL14965619,PC-id_89580055	336.323	LPEUMRQFVGYXSN-UHFFFAOYSA-M	00000000100010000111000000000010000000000000000000000000	31-01-064882
O=C(NCC(=O)N1CCCc2sccc2C1)OCC(F)(F)F	MCULE-9393100056,EMOLS-id_36970057,ZINC22_71896225,PC-id_56786913	336.33	VIPVSKOYHWNFNP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064883
CN(Cc1nnc2n1CCCCC2)C(=O)c1ccc(F)c(O)c1F	ZINC22_1875292252	336.337	BCBMNBKACVPCSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064884
COc1cc(F)c(cc1F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101955327	336.337	PUXWTRVVDMNPJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064885
COc1cc(F)c(cc1NC(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101863688	336.337	ZSXLMHUENKMBOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064886
COc1c(F)cc(cc1F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101956790	336.337	KKARUMNQOYFUHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064887
FC(COc1cccc(n1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)F	MCULE-4420092941,EMOLS-id_319947227	336.337	UXUKYZJHPMNPPE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064888
FC(COc1ccnc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)F	EMOLS-id_318772867	336.337	DKMQZPYFLMMJQA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064889
FC(COc1ncccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2)F	EMOLS-id_319596005	336.337	DMMZWFQVEDLQGP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-064890
FC(F)Oc1cccc(c1)C(=O)NCc1cc2CNCCCn2n1	EMOLS-id_44430413,MCULE-6158535684,ZINC22_82098801,PC-id_70724449	336.337	AFTYYUQLBVOJAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064891
FC(F)Oc1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_51266223	336.337	ZVUFJSQYMIGGNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064892
FC(F)Oc1c(C(=O)NCc2n3CCCCCc3nn2)cccc1	PC-id_51266293	336.337	NDNOBWPDRMAQMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064893
FC(Oc1ccccc1CNC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_319828787	336.337	FYZXGZFSVCWJOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064894
O=C(c1ccc(c(c1F)O)F)NCCc1nnc2n1CCCCC2	MCULE-5909824826,EMOLS-id_320064424	336.337	FZDBRQZKQUUJSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064895
O=C(C1CCn2c(CC1)nnc2)NCCOc1ccc(c(c1)F)F	EMOLS-id_319296208	336.337	ZXQYMYMXDRNEHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064896
OCC(c1c(F)cccc1F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319272717	336.337	XNJSBUKGCQHRKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064897
FC1(F)CC(C1)C(=O)N1CCCn2c(Cn3ccnc3)nnc2C1	EMOLS-id_313731541,ZINC22_1565554447	336.34	RLZHOXFFIULZCJ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-064898
FC1(F)CC(C1)C(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_313724124	336.34	URWWFBYNPHAUKH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-064899
O=C1C(CC(=O)N(c2n(cc(c12)C(=O)OCC)C)C)C(=O)OCC	PC-id_12701782	336.34	LKUJQKIIFJVTIC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-064900
O=C(C1CC(F)(F)C1)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_1565542806	336.34	URWWFBYNPHAUKH-NSHDSACASA-N	00001000100000000101000000000010000000000000000000000000	31-01-064901
O=C(C1CC(F)(F)C1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_1614939619	336.34	URWWFBYNPHAUKH-LLVKDONJSA-N	00001000100000000101000000000010000000000000000000000000	31-01-064902
O(C(=O)c1c(c(c2-c1ccccc2)C(=O)OCC)C(C#N)C#N)CC	PC-id_51350488	336.341	UVAISOMMFFLJTL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-064903
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CN1CCOC1=O	EMOLS-id_46045929,PC-id_72866578,ZINC22_91518821,MCULE-5053089635	336.343	OUOIHJPMRQAMKV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064904
O=c1[nH]c2-c(c1C#CC#Cc1c(=O)[nH]c3-c1ccccc3)ccccc2	PC-id_101464835	336.343	SQTKFVDFUFEZIW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-064905
N#Cc1ccc(cc1F)S(=O)(=O)NC1CCn2c(CC1)nnn2	MCULE-4161752496,EMOLS-id_102028643	336.345	LWNZKERHBMVJTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064906
N#Cc1cc(F)ccc1S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028457	336.345	SAUGABZCUDBWPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064907
n12CCN(CCc1nn(CC#N)c2=O)C(=O)c1cccc2c1cc[nH]2	EMOLS-id_50590065,MCULE-7278587830,PC-id_91910688	336.348	DCGKLLBSKFYLDA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-064908
c1(NC(=O)c2ccnn2C(F)F)sc2c(CCCCC2)c1C#N	PC-id_4770336,TIMTEC322154,MCULE-2800907668,CoCoCo_6579513,ZINC22_2779047,EMOLS-id_4016278	336.36	MXADSWRDPLHKHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064909
N#Cc1c(NC(=O)c2ccn(n2)C(F)F)sc2c1CCCCC2	CoCoCo_6579618,PC-id_4770538	336.36	IPMLBTMIHPGPIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064910
O=C(O)COCc1ocnc1C(=O)N1CCCc2sccc2C1	EMOLS-id_316320385,ZINC22_901972109,MCULE-9614290332	336.363	TUJHPNHHWSGROS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064911
c12CN(CCCn1nc(C#N)c2)Cc1c[nH]nc1c1cccc(F)c1	EMOLS-id_232856963,MCULE-1146578733,ZINC22_826805596	336.366	HIXSHARWZAPOJB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064912
COc1ccc(cc1)SN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_145578219	336.366	SUMRYXCDCLOAJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064913
Fc1ccccc1n1cc(CN2CCCn3nc(cc3C2)C#N)cn1	EMOLS-id_232850890,ZINC22_826805761,MCULE-2509215350	336.366	WZNLFGGFIYYCOX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064914
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCCCc2c1cnn2C	PC-id_23120337,SCHEMBL5469264	336.366	VUPUBXUUFRASMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064915
S(=O)(=O)(n1nc2c(CCCCC2)c1N)c1c([N+](=O)[O-])cccc1	PC-id_12291243	336.366	RYPIGIQZQVNPRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064916
CC(n1c(Cl)c2c(c1Cl)SSSSS2)C	NSC724857,PC-id_406617	336.368	BYMPCROJBBTXOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064917
c12C(CCCCn1nnn2)C(=O)NCCc1scc(C(=O)O)n1	MCULE-9349710869,EMOLS-id_177386361,PC-id_121497889	336.37	MLFJNGBIWRBHNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064918
c1(C(=O)OC)cc2n(CCCN(C(=O)Cc3nnc(N)s3)C2)n1	MCULE-6497027271,EMOLS-id_32375526,PC-id_50952026,ZINC22_65374930	336.37	BWWQFIBXRQFOPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064919
NNC(=O)c1c(N=Nc2c(O)[nH][nH]c2=O)sc2c1CCCCC2	PC-id_145975392	336.37	WALJENYYESCIJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064920
O=C(O)c1csc(CCNC(=O)[C@@H]2CCCCn3nnnc23)n1	ZINC22_426415385	336.37	MLFJNGBIWRBHNM-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064921
O=C(O)c1csc(CCNC(=O)[C@H]2CCCCn3nnnc23)n1	ZINC22_426415392	336.37	MLFJNGBIWRBHNM-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-064922
O(C1CC(C(OC(=O)C)C(=O)c2c(occ2C)C=C(C1O)C)C)C	PC-id_76463642	336.38	SHZMSGBSYSIHHM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-064923
O([C@@H]1C[C@H]([C@@H](OC(=O)C)C(=O)c2c(occ2C)/C=C([C@H]1O)/C)C)C	PC-id_56935770	336.38	SHZMSGBSYSIHHM-YWQIJPLPSA-N	00000000100000000110000000000010000000000000000000000000	31-01-064924
c12c(OC)cc(cc(=O)c1c(oc2C)C)C=Cc1ccccc1OC	CNP0147898,PC-id_933078,MCULE-3620139203	336.381	JGLPCKRDWKIKQK-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-064925
COc1ccccc1/C=Cc1cc(=O)c2c(c(c1)OC)c(oc2C)C	CoCoCo_1763967	336.381	JGLPCKRDWKIKQK-KTKRTIGZSA-N	00000000100000110110000000000010000000000000000000000000	31-01-064926
COc1ccccc1/C=C/c1cc(=O)c2c(c(c1)OC)c(oc2C)C	ZINC22_525785,EMOLS-id_26405215,CoCoCo_1763966,STOCK1N-18202,PC-id_933080	336.381	JGLPCKRDWKIKQK-MDZDMXLPSA-N	00000000100000110110000000000010000000000000000000000000	31-01-064927
CCN(C(=O)c1coc2c1C(=O)NCC(C2)(C)C)[C@@H]1COC[C@H]1O	EMOLS-id_319033431	336.383	NRNNFVSCHOOLBH-VXGBXAGGSA-N	00000010100000000100000000000010000000000000000000000000	31-01-064928
COCC1(CCCN(C1)C(=O)c1noc2c1CCCCC2)C(=O)O	EMOLS-id_72493730,PC-id_121890815,MCULE-6691131013	336.383	BJRZBBFMOQMUPC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064929
FC1(F)CCN(CC2CCn3nccc3CN2Cc2cn[nH]c2)C1	EMOLS-id_313815591	336.383	ASMQPZYGJFHRMP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064930
FC1(F)CCN(C[C@@H]2CCn3nccc3CN2Cc2cn[nH]c2)C1	ZINC22_585096702	336.383	ASMQPZYGJFHRMP-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064931
FC1(F)CCN(C[C@H]2CCn3nccc3CN2Cc2cn[nH]c2)C1	ZINC22_585096703	336.383	ASMQPZYGJFHRMP-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064932
O=C(c1c2-c(cc1C(=O)c1ccccc1)ccccc2)c1ccccc1	PC-id_14088582	336.383	WEGDMSKZYKXVJT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-064933
O=C(c1c2-c(c(c1)C(=O)c1ccccc1)ccccc2)c1ccccc1	PC-id_144645	336.383	JWWHDTFWWWUFOF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-064934
OC(=O)C(C1CCOCC1)CNC(=O)c1noc2c1CCCCC2	PC-id_121941863,MCULE-5182911836,EMOLS-id_72592707	336.383	MRNNYPSVHBFMKE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064935
s1c2c(CCCCC2)c(c1NC(=O)/C=C(C)/C(=O)[O-])C(=O)OC	PC-id_40565679	336.383	LDVWOVYAKQCNEG-CMDGGOBGSA-M	00000000100000000100000000000010000000000000000000000000	31-01-064936
s1c2c(CCCCC2)c(c1NC(=O)C=C(C)C(=O)[O-])C(=O)OC	PC-id_74697708	336.383	LDVWOVYAKQCNEG-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-064937
s1c2c(CCCCC2)c(c1NC(=O)/C=C/C(=O)[O-])C(=O)OCC	PC-id_7386502	336.383	QYPHUICUJZHSLJ-CMDGGOBGSA-M	00000000100000000100000000000010000000000000000000000000	31-01-064938
s1c2c(CCCCC2)c(c1NC(=O)C=CC(=O)[O-])C(=O)OCC	PC-id_78478364	336.383	QYPHUICUJZHSLJ-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-064939
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/C(=O)[O-])C(=O)OC	PC-id_7409568	336.383	QFRQYQZYTLSUDX-CMDGGOBGSA-M	00000000100000000100000000000010000000000000000000000000	31-01-064940
s1c2c(CCCCCC2)c(c1NC(=O)C=CC(=O)[O-])C(=O)OC	PC-id_78480935	336.383	QFRQYQZYTLSUDX-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-064941
O=C(N1CC2c3c1cccc3C(=O)CC2)c1noc2c1CCCCC2	EMOLS-id_111881593	336.384	DALXNMKJAYPJDI-UHFFFAOYSA-N	00000010100010100101000000000010000000000000000000000000	31-01-064942
c1(C(=O)N2CCCC2)cc2n(CCCN(C(=O)OCCOC)C2)n1	MCULE-2352785702,EMOLS-id_32429062,ZINC22_65503774,PC-id_50980363	336.386	ZEPXBDUEFQTUIB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064943
c1(C(=O)N2CCOCC2)cc2n(CCCN(CC(=O)OCC)C2)n1	MCULE-1118358623,ZINC22_65396703,EMOLS-id_32391668,PC-id_50960525	336.386	HDSRGJNQIOKZSU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064944
c1(C(=O)N[C@H]2COC[C@@H]2OCC)cc2n(CCCN(C(=O)C)C2)n1	MCULE-6558058421,ZINC22_65409980,EMOLS-id_32403896,PC-id_50967020	336.386	JQSRGQVVGDGNSG-GJZGRUSLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064945
CC(C)C1COCC=CCn2cc(CC(C(=O)N1)NC(=O)O)nc2	PC-id_89891810	336.386	OAFPTRFPUJFBQK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-064946
CCOC(=O)CN(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1	PC-id_86840784	336.386	DJKLEFZYWCGMQF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-064947
COCCNC(=O)c1cnn2c1CN(C(=O)C1CC(O)C1)CCC2	EMOLS-id_313740277,ZINC22_1565553724	336.386	CJDLZGQLHGUFIZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-064948
COC(=O)CC1(CCCOC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278166606	336.386	JLXBHZFWGQODBV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064949
O1CC(NC(=O)c2nn3c(CN(CCC3)C(=O)C)c2)C(OCC)C1	PC-id_75591898	336.386	JQSRGQVVGDGNSG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064950
O1N(CCC(=O)N2CCCn3nc(cc3C2)C(=O)OC)CCCC1	PC-id_50963661	336.386	JMZAOPOFFGLULA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064951
O=C([C@@H]1CC[C@@H](O1)C(=O)O)NCCCc1nnc2n1CCCCC2	PC-id_121777237	336.386	QEFWIRYJSGJQSW-NWDGAFQWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-064952
OC(=O)N[C@@H]1Cc2ncn(c2)C/C=CCOC[C@@H](NC1=O)C(C)C	SCHEMBL15372866	336.386	OAFPTRFPUJFBQK-JHZNUDOXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-064953
OC(=O)N[C@@H]1Cc2ncn(c2)CC=CCOC[C@@H](NC1=O)C(C)C	SCHEMBL15372868	336.386	OAFPTRFPUJFBQK-ZIAGYGMSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-064954
c12CN(CCCn1nc(C#N)c2)C(=O)c1ccccc1OCC(=C)C	EMOLS-id_31612467,MCULE-9062219227,ZINC22_55211782,PC-id_46989977	336.388	WCMHVOYLWCFPFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064955
c1(C(=Cc2ccc(cc2)OC(=O)CC)C#N)nnc2CCCCCn12	PC-id_3456686,MCULE-6606364472	336.388	UWVBBHVMPSCWQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064956
c1ccc(Oc2ccc(OCc3nnc4n3CCCCC4)cc2)nc1	MCULE-6404401567,EMOLS-id_76042282,PC-id_121578492,ZINC22_278557445	336.388	CDWLPEITNCIJMB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-064957
C1CN(Cc2cc(nn2C1)C(C1CC1)O)C(=O)c1ccccc1C#N	PC-id_91775468	336.388	GCHGFPZGDSQPFA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-064958
c1cncc(Oc2cccc(OCc3nnc4n3CCCCC4)c2)c1	EMOLS-id_76042312,ZINC22_278597584,MCULE-8777543670,PC-id_121578507	336.388	HPWBGXSKTIRGCM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-064959
c1(cnoc1c1ccccc1)C(=O)NCc1c2CCCCCc2[nH]n1	PC-id_119065988,EMOLS-id_82719715,MCULE-6031939797,ZINC22_426502844	336.388	FKDUWKFITIKQMW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064960
c1(conc1c1ccccc1)C(=O)NCc1c2CCCCCc2[nH]n1	ZINC22_670469993,EMOLS-id_222788867,MCULE-9898317604	336.388	ZNIKVSCVXOPZBZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064961
Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2n[nH]c3c2CCCCC3)c1	ZINC22_190837363	336.388	OFAGGPXPYFBCNX-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064962
Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2n[nH]c3c2CCCCC3)c1	ZINC22_190837378	336.388	OFAGGPXPYFBCNX-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064963
Cc1ccn(c2ccccc2NC(=O)N2CCCc3occc3C2)n1	ZINC22_377604832,MCULE-2817442672,EMOLS-id_177243939	336.388	JQMREZOCQLEZGD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064964
Cc1cc(n(n1)c1ccccc1)NC(=O)c1noc2c1CCCCC2	GD-id_ZINC02465835,PC-id_22427617	336.388	PBIBHGTZFFTDNT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064965
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1O)n1cccc1	MCULE-4073451142,EMOLS-id_320149744	336.388	VOESADNYGLJYJB-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-064966
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1C)c1ccco1	MCULE-3531654826,EMOLS-id_320318597	336.388	IKSSNEIRUOMHRO-UHFFFAOYSA-N	00000000101000101101100000000010000000000000000000000000	31-01-064967
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)noc1c1ccccc1	MCULE-9443041206,EMOLS-id_320133395	336.388	KXQVNBMKNXVTKA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064968
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)onc1c1ccccc1	EMOLS-id_319240120	336.388	XOXKQJUJBLBSPV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064969
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncoc1c1ccc(cc1)C	EMOLS-id_320136027,MCULE-8134815858	336.388	JGLZMKKCWZCFEF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064970
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1coc(n1)c1ccccc1	EMOLS-id_320325951,MCULE-3747528991	336.388	PHKMOKLIMXFZNF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064971
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1noc(c1)c1ccccc1	MCULE-2602846211,EMOLS-id_319935530	336.388	DSCWISIIPFFSBS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064972
Cc1c[nH]c(n1)c1ccccc1NC(=O)c1noc2c1CCCCC2	EMOLS-id_101050396	336.388	OTWBEMJALJLWRI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064973
Cc1nc(c2ccccc2)oc1C(=O)N1CCCc2c(cnn2C)C1	ZINC22_408521093,MCULE-7395220398,EMOLS-id_172341405,PC-id_122152811	336.388	IHDMWNJMZGXNLL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064974
Cc1n[nH]c(c1NC(=O)c1noc2c1CCCCC2)c1ccccc1	EMOLS-id_100519256	336.388	QNVPYVVAFGIWBX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064975
CCC(=O)Oc1ccc(cc1)/C=C(c1nnc2n1CCCCC2)/C#N	ChEMBL-DNDi_CHEMBLF0784-0208	336.388	UWVBBHVMPSCWQH-QINSGFPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064976
CCC(=O)Oc1ccc(/C=C(C#N)/c2nnc3CCCCCn23)cc1	EMOLS-id_207240207,CoCoCo_5792092,CoCoCo_5792093,SPECS-id_AT-225/NB58526,PC-id_5831815	336.388	UWVBBHVMPSCWQH-NTCAYCPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064977
n12CCCCCc1nnc2CNC(=O)c1cccc(c1)c1ccco1	MCULE-7743331065,EMOLS-id_55612371,PC-id_91763415	336.388	OSSCXKXZKFTKLD-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-064978
n1c(CNC(=O)c2ccc(cc2)c2cnco2)c2c(CCCCC2)[nH]1	EMOLS-id_222781256,MCULE-5118379447,ZINC22_670461401	336.388	RUWODUMYYXOCCI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064979
N#Cc1ccccc1C(=O)N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O	PC-id_100050734	336.388	GCHGFPZGDSQPFA-SFHVURJKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-064980
N#Cc1ccccc1C(=O)N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O	PC-id_100050735	336.388	GCHGFPZGDSQPFA-GOSISDBHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-064981
N#Cc1ccc(O[C@@H]2CN(C(=O)CC3CC3)Cc3cccn3C2)nc1	ZINC22_247748570	336.388	QXTWOCGOHLTCMA-KRWDZBQOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-064982
N#Cc1ccc(O[C@H]2CN(C(=O)CC3CC3)Cc3cccn3C2)nc1	ZINC22_247748572	336.388	QXTWOCGOHLTCMA-QGZVFWFLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-064983
N#CC(C(=O)c1n[nH]c2c1CCCCC2)C(=O)Nc1cccc(c1)C	PC-id_121569580,MCULE-7324367574,EMOLS-id_76033638	336.388	OFAGGPXPYFBCNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064984
O=c1ccccn1c1cccc(OCc2nnc3n2CCCCC3)c1	EMOLS-id_99138149,MCULE-8953769157,ZINC22_573906189	336.388	KPWBOZGQNJGPEF-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-064985
O=C1NCC(Cc2c1cn(n2)Cc1ncc(o1)c1ccccc1)(C)C	EMOLS-id_317938931	336.388	JUXJKORJUPJHHN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064986
O=C1NCC(Cc2c1cn(n2)Cc1onc(c1)c1ccccc1)(C)C	EMOLS-id_318098003	336.388	SPNVVDPSRDOFJL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064987
O=C(c1cnc2n1CCCCC2)NCc1ccc(cc1)c1ocnc1	EMOLS-id_316517320	336.388	LZIYWQBSSIDPTP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064988
O=C(c1n[nH]c2c1CCCCC2)NCc1ccc(cc1)c1ocnc1	MCULE-4331090275,EMOLS-id_258007898	336.388	KKLVGXSDGFOEJQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064989
O=C(c1noc2c1CCCCC2)Nc1cc(n(n1)c1ccccc1)C	EMOLS-id_101031385	336.388	JOIQYIPFLVTQDK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064990
O=C(c1noc2c1CCCCC2)Nc1[nH]nc(c1)c1ccccc1C	EMOLS-id_101036692	336.388	OCEJOJNHUJPLHN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064991
O=C(c1noc2c1CCCCC2)NCc1ccccc1c1[nH]ccn1	EMOLS-id_319989051,MCULE-9436040015	336.388	RWHJVKQQYNPEDE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-064992
O=C(CC1CC1)N1CC(Cn2cccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50010922	336.388	QXTWOCGOHLTCMA-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-064993
O=C(Nc1ccn(Cc2ccccc2)n1)c1noc2c1CCCCC2	PC-id_136533905,ZINC22_128882602,MCULE-9440043766,EMOLS-id_316876103	336.388	JAUNAXUNEIDRLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-064994
O=C(NCc1nnc2n1CCCCC2)c1occc1c1ccccc1	EMOLS-id_36627666,ZINC22_67508176,MCULE-1559342533,PC-id_53536674	336.388	VQJQDKMODHKTCY-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-064995
c12nnnn1CCCCC2C(=O)NC1CCN(CC1)C(=O)OCC	EMOLS-id_49679906,MCULE-3969422436,PC-id_74250213	336.389	SASVVCYTQZNUAO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064996
c1ccc(cc1)N=Nc1cccc(c1)N=Nc1ccc2-c1ccccc2	PC-id_102032853	336.389	QOZGLVXUIJJLFY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-064997
c1ccc(cc1)N=Nc1ccc(cc1)N=Nc1ccc2-c1ccccc2	PC-id_102032854	336.389	XPBBPOSQYIEUEL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-064998
CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCCn3nnnc23)CC1	PC-id_97940783,ZINC22_97797666	336.389	SASVVCYTQZNUAO-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-064999
CCOC(=O)N1CCC(NC(=O)[C@H]2CCCCn3nnnc23)CC1	PC-id_97940784,ZINC22_97797667	336.389	SASVVCYTQZNUAO-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065000
CC(=O)NCC(=O)N1CCCn2c(CN3CCOCC3)nnc2C1	ZINC22_96259699,EMOLS-id_44370944,PC-id_97519781	336.389	WSBYRKOFYNIPNZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065001
N(=Nc1ccccc1)c1c2-c(cc1/N=N/c1ccccc1)ccccc2	PC-id_78409475	336.389	SEAGSRSIIBSKGV-QIDVXGNCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-065002
c1ccc(CN2CCc3nnc(COc4ccccn4)n3CC2)nc1	ZINC22_96058881,PC-id_97381538,EMOLS-id_46148059,CHEMBL3553122	336.391	OQVULFDPEMSFRB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065003
c1ccc(CN2CCCn3nnc(COc4ccccn4)c3C2)nc1	PC-id_97519086,EMOLS-id_44369540,CHEMBL3553453,ZINC22_96258996	336.391	XHCPIPIMANTXBD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065004
c1ccc(OCc2nnc3n2CCN(Cc2cccnc2)CC3)nc1	EMOLS-id_46148061,ZINC22_96058882,PC-id_97381539	336.391	ZDUJXIQTVNXSPU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065005
c1ccc(OCc2nnc3n2CCN(Cc2ccncc2)CC3)nc1	EMOLS-id_46148063,ZINC22_96058883,PC-id_97381540	336.391	UWEXEYCJCSWJOD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065006
c1cncc(CN2Cc3ccnn3CC[C@H]2COc2cnccn2)c1	ZINC22_585097620	336.391	NWTGUXCDQVQUIL-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065007
c1cncc(CN2Cc3ccnn3CC[C@@H]2COc2cnccn2)c1	ZINC22_585097621	336.391	NWTGUXCDQVQUIL-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065008
c1(cn(cn1)C)C(=O)N1CCn2c(CC1)nc(Cc1ccccc1)n2	ZINC22_2356162869,MCULE-3234626889,EMOLS-id_337778302	336.391	MZGWPSICCXVSAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065009
c1(C(=O)Nc2ccccc2)cc2n(CCCN(Cc3[nH]ccn3)C2)n1	MCULE-8148292514,EMOLS-id_32379186,PC-id_50953936,ZINC22_67605936	336.391	ZXUXLTVBBJTNCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065010
c1(C(=O)NCc2ccccc2n2cccn2)cn2c(CCNCC2)n1	MCULE-1399357428,EMOLS-id_330471006,ZINC22_1857739844	336.391	VOFMUUCETNCOBN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065011
c1(C(=O)NCc2ccccc2n2ccnc2)nnc2CCCCCn12	PC-id_90653766,ZINC22_221427574,EMOLS-id_50549465,MCULE-6485228679	336.391	HSHDHDPBFMTKEL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065012
CC1Cc2c(CN(C1)C(=O)c1ccc(cc1)Cn1ccnn1)cn[nH]2	PC-id_136560302,EMOLS-id_316960370,MCULE-1202172437	336.391	PTMCWTKJAPOUGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065013
Cc1ccc(cc1)C(=O)N1CCCn2c(C1)c(nn2)Cn1cccn1	PC-id_97413607	336.391	CJGJWSJICQVBTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065014
Cc1cccc(c1)C(=O)N1CCCn2c(C1)c(nn2)Cn1cncc1	PC-id_97405536	336.391	KGXVJUZDXZNOHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065015
Cc1cccc(c1)C(=O)N1CCCn2nnc(Cn3cccn3)c2C1	EMOLS-id_44370626,ZINC22_96259539,PC-id_97519621	336.391	AGBSDWQACCVWPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065016
Cc1ccccc1C(=O)N1CCCn2nnc(Cn3cccn3)c2C1	PC-id_97519620,ZINC22_96259538,EMOLS-id_44370624	336.391	LVSQDSLXWHYXSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065017
Cc1ccc(cc1)C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1	PC-id_97519609,EMOLS-id_44370602,ZINC22_96259527	336.391	DKMIPEVQQQOWFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065018
Cc1ccc(cn1)C(=O)N1CCc2ncc(Cn3cccn3)n2CC1	PC-id_97467099,EMOLS-id_44328841,ZINC22_96196955	336.391	AZAMECUDAJNPMT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065019
Cc1ccc(n2ccc(C(=O)N[C@H]3CNCc4nccn4C3)n2)cc1	ZINC22_2325797872	336.391	ZRQSLBHZDINQKP-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065020
Cc1ccc(n2ccc(C(=O)N[C@@H]3CNCc4nccn4C3)n2)cc1	ZINC22_2325797873	336.391	ZRQSLBHZDINQKP-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065021
CC1(C)CNC(=O)c2cn(Cc3cnnn3c3ccccc3)nc2C1	ZINC22_871790410	336.391	NPHYAJZZQVMNQO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065022
Cc1cc(n(n1)c1ccc(cc1)C(=O)N1CCn2c(CC1)nnc2)C	CoCoCo_1143036	336.391	AFJVKCIJCRZMHH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065023
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1)C)n1cncn1	EMOLS-id_319224537	336.391	IJUWARCAOONVDH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065024
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1C)n1cncn1	MCULE-8687982575,EMOLS-id_319958147	336.391	SUAIZPBUDZQBAS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065025
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)Cn1nncc1	EMOLS-id_318893466	336.391	AFIPYVOJIGDPQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065026
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1Cn1nncc1	EMOLS-id_320128513,MCULE-4889202799	336.391	IKJDQSAODUMMDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065027
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)ccc1n1cnnc1	EMOLS-id_319876692	336.391	OWUBSIFKYMADJU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065028
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccnc1c1cnn(c1)C	EMOLS-id_320317215,MCULE-9271815632	336.391	QEBFYWJQKCSLGN-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065029
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(nn1C)c1ccncc1	EMOLS-id_319345578	336.391	OZOFLWYINUMHOZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065030
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncc(c1)c1cnn(c1)C	EMOLS-id_319794787	336.391	AIFZLSBHWTWTPP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065031
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(nc1c1cccnc1)C	EMOLS-id_319794680	336.391	DSRNHUFOPCGSJE-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065032
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(nc1c1ccncc1)C	EMOLS-id_319949425,MCULE-7623664548	336.391	KKLUJIACRUZAHH-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065033
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1C)c1ccccn1	MCULE-6644322146,EMOLS-id_320111321	336.391	SJJWDGMUHVHLRY-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065034
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]c(nc1C)c1cccnc1	EMOLS-id_319420281	336.391	LYYYOZOOALPEFO-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065035
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nnn(c1)c1cccc(c1)C	EMOLS-id_319309381	336.391	HHAZIPQVGQSJFI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065036
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nn(nc1C)c1ccccc1	EMOLS-id_319008827	336.391	HQZSNTSLMHKZST-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065037
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nnn(c1C)c1ccccc1	EMOLS-id_319042242	336.391	KUOJAUXCZNICHQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065038
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1)n1cnnc1	EMOLS-id_320227394,MCULE-6326939993	336.391	YWMHMTMMDSVTDO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065039
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cnn(n1)c1ccccc1	EMOLS-id_318824059	336.391	CVGRCEDPSDFPSK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065040
Cc1cncc(c1)C(=O)N1CCc2ncc(Cn3cccn3)n2CC1	EMOLS-id_44328847,PC-id_97467102,ZINC22_96196958	336.391	WCTIPHRAMDGWBI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065041
Cc1nc(nn1c1ccccc1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_316481183	336.391	NATJFOMAWWCKGR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065042
CN(/N=CC(=C)n1ccc(=O)c(n1)CC1=Cc2cn[nH]c2C=CC1)C	PC-id_144218086	336.391	IJMLBBYFMLZTLQ-JAIQZWGSSA-N	00000000100000100111000000000010000000000000000000000000	31-01-065043
C(Oc1cnccn1)C1CCn2nccc2CN1Cc1cccnc1	EMOLS-id_313742774	336.391	NWTGUXCDQVQUIL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065044
n12CCCNCc1cc(CNC(=O)c1ccc(cc1)c1cc[nH]n1)n2	MCULE-7356842584,PC-id_74231237,ZINC22_97179349,EMOLS-id_49641270	336.391	ZEEOINXUKXBVRI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065045
n12CCCNCc1cc(CNC(=O)c1cccc(c1)c1[nH]ccn1)n2	EMOLS-id_49678686,MCULE-5107854695,PC-id_74249610,ZINC22_97785315	336.391	OFSMZLAOMUWCIW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065046
n1c(CNC(=O)c2ccccc2c2n[nH]cn2)c2c(CCCCC2)[nH]1	EMOLS-id_222778947,MCULE-7429098846,ZINC22_670459480	336.391	OHBLBXTVEDOCJJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065047
n1c(CNC(=O)c2ccccc2n2cncn2)c2c(CCCCC2)[nH]1	MCULE-2814526665,ZINC22_584897295,EMOLS-id_177458899	336.391	PVFQJGYPGIFKHI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065048
N#CC1(CC(C1)NC(=O)C1CCn2c(CC1)nnn2)c1ccccc1	MCULE-8233668274,EMOLS-id_319854832	336.391	HWFNPHKVQYWFKV-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-065049
N#Cc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)NC1CC1	EMOLS-id_320102727,MCULE-7146306783	336.391	LQKGEZJAZUTGIA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-065050
O=C1NCC(Cc2c1cn(n2)Cc1nncn1c1ccccc1)(C)C	EMOLS-id_316616077	336.391	UUSVJEOKPHJPFX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065051
O=C(c1c2c(CCCCC2)[nH]n1)Nc1ccc(Cn2ncnc2)cc1	EMOLS-id_323248314,MCULE-7020228225	336.391	VACUTYCWSKVWJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065052
O=C(C1CCn2c(CC1)nnc2)Nc1[nH]nc(c1)c1ccccc1C	EMOLS-id_316605550	336.391	CGNAUAQZVLNREL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065053
O=C(C1CCn2c(CC1)nnc2)NCc1ccccc1c1[nH]ccn1	MCULE-9930979265,EMOLS-id_320113913	336.391	ZKHCDMQBJHKPRV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065054
O=C(C1CCn2c(CC1)nnc2)NCc1ncc([nH]1)c1ccccc1	EMOLS-id_320172396,MCULE-5686129592	336.391	PGEYPMVXDUHTOF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065055
O=C(c1cnc2n1CCCCC2)NCc1ccc(cc1)c1nc[nH]n1	EMOLS-id_319514640	336.391	BOQMPBVJAGITJE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065056
O=C(c1n[nH]c(c1)c1ccncc1)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319714040	336.391	XIMOMPMDCJUHBW-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065057
O=C(Cc1ccccc1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	PC-id_97463063,ZINC22_96188629	336.391	FSIYQDDJQRXLAL-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065058
O=C(Cc1ccccc1)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_96188628,PC-id_97463062	336.391	FSIYQDDJQRXLAL-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065059
O=C(Cc1ccccc1)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_44326471	336.391	FSIYQDDJQRXLAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065060
O=C(Cc1ccccn1)N1Cc2nccn2C[C@H](Cn2cccn2)C1	PC-id_97462996,ZINC22_96188562	336.391	KNQWFFNVHRXJFV-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065061
O=C(Cc1ccccn1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	PC-id_97462997,ZINC22_96188563	336.391	KNQWFFNVHRXJFV-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065062
O=C(Cc1ccccn1)N1CCc2ncc(Cn3cccn3)n2CC1	PC-id_97390218,ZINC22_96067912,EMOLS-id_46161863	336.391	FCIFIBPNMKUBIG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065063
O=C(Cc1ccccn1)N1CC(Cn2cccn2)Cn2ccnc2C1	EMOLS-id_44326405	336.391	KNQWFFNVHRXJFV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065064
O=C(NCc1nnc2n1CCCCC2)c1cc(c2ccccc2)[nH]n1	EMOLS-id_29628145,PC-id_45805591,CoCoCo_4639255,MCULE-3731642247,CoCoCo_4639254,ZINC22_40489520	336.391	IQYHSOYBVKUKHR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065065
O=C(NCc1nnc2n1CCCCC2)c1ccc(n2cccn2)cc1	MCULE-9957031696,PC-id_47014565,EMOLS-id_30714077,ZINC22_48326189	336.391	ZARQVGLSWSEVBI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065066
O=C(NCc1nnc2n1CCCCC2)c1cncn1c1ccccc1	EMOLS-id_29661405,CoCoCo_4336675,MCULE-5834772730,PC-id_45799578,ZINC22_40475426	336.391	JVNWHITZTHFEKU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065067
O=C(NCc1nnc2n1CCCCC2)c1cnn(c2ccccc2)c1	CoCoCo_4336685,ZINC22_40475428,PC-id_45799580,EMOLS-id_29635385,MCULE-7708977478	336.391	GTSJSINPFJZTKX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065068
S(c1n2CCCCCc2nn1)c1nc2sccn2c1[N+](=O)[O-]	PC-id_18126003	336.393	NRLHEWNSNXKIDL-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-065069
c1ccc(nc1)CN1CCc2n(CC1)c(nn2)CNc1ncccn1	PC-id_97405784	336.394	FGCUKJMIHRGUGT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065070
c1ccc(nc1)CN1CCCn2c(C1)c(CNc1ncccn1)nn2	PC-id_97405524,CHEMBL3552874	336.394	WWGNVQVOUHCMRB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065071
c1cnc(NCc2nnn3c2CN(Cc2cccnc2)CCC3)nc1	EMOLS-id_46182423,ZINC22_96084700,PC-id_97405523	336.394	QZHFFIKSGWDHEP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065072
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc(c1)C(F)(F)C	EMOLS-id_318783443	336.399	FMEVGCZVYNPBOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065073
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cc1)C(F)(F)C	EMOLS-id_319393477	336.399	GHHQVGQZXQQBNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065074
O=C(C(N1CCCc2c(C1)ccs2)C)Nc1ccc(cc1F)F	EMOLS-id_318060544	336.399	AYFMUUPOVWEFJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065075
O=C(C(N1CCCc2c(C1)ccs2)C)Nc1ccc(c(c1)F)F	EMOLS-id_318188063	336.399	DKDCBJVPGCHUOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065076
O=C(N1CCCCc2c1sc(n2)C)Cc1cccc(c1)C(F)F	EMOLS-id_320294547,MCULE-5877647141	336.399	OIYRXEXUJFBYDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065077
s1c2CCCCCc2nc1NC(=O)CCc1cc(F)c(F)cc1	PC-id_46408347	336.399	FEZWPXFSTQGJBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065078
s1c2CCCCCc2nc1NC(=O)CCc1c(F)cccc1F	PC-id_55652063	336.399	DOKDVLRMFRYRDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065079
CC1Cc2nnc(COCC3CC3)n2CCN1C(=O)C1CC(F)C1	EMOLS-id_313825317	336.404	LCVKXDJXGGQCKI-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-065080
CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)[C@@H]1C[C@H]1F)CCC2	ZINC22_1565554880,EMOLS-id_313788216	336.404	JASDUYBYODSTMB-VXGBXAGGSA-N	00100000100000000101000000000010000000000000000000000000	31-01-065081
C[C@@H]1Cc2nnc(COCC3CC3)n2CCN1C(=O)C1CC(F)C1	ZINC22_585097528	336.404	LCVKXDJXGGQCKI-LMWSTFAQSA-N	00101000100000000101000000000010000000000000000000000000	31-01-065082
C[C@H]1Cc2nnc(COCC3CC3)n2CCN1C(=O)C1CC(F)C1	ZINC22_585097529	336.404	LCVKXDJXGGQCKI-XGNXJENSSA-N	00101000100000000101000000000010000000000000000000000000	31-01-065083
FC1(CCC1)C(=O)N1CCc2ncc(CN3CCOCC3)n2CC1	ZINC22_585110634,EMOLS-id_313780171	336.404	QCIOTKYBASZDBA-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-065084
FC1CC(C1)C(=O)N1CC(CN2CCOCC2)Cn2ccnc2C1	EMOLS-id_313721309	336.404	VWIFINRYKUCMNY-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-065085
FC1(CCC1)C(=O)N1CC(CN2CCOCC2)Cn2ccnc2C1	EMOLS-id_313721565	336.404	UPNRNBWEUAFBDM-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-065086
N#Cc1cc(F)cc(c1)S(=O)(=O)N1CCCc2c(C1)ccs2	MCULE-6172648476,EMOLS-id_319971693	336.404	XZHAUERUKKUVET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065087
O=C(C1CC(F)C1)N1Cc2nccn2C[C@H](CN2CCOCC2)C1	ZINC22_585110700	336.404	VWIFINRYKUCMNY-NFOMZHRRSA-N	00001000100010000101000000000010000000000000000000000000	31-01-065088
O=C(C1CC(F)C1)N1Cc2nccn2C[C@@H](CN2CCOCC2)C1	ZINC22_585110701	336.404	VWIFINRYKUCMNY-WLYUNCDWSA-N	00001000100010000101000000000010000000000000000000000000	31-01-065089
O=C(C1CC(F)C1)N1CCc2ncc(CN3CCOCC3)n2CC1	ZINC22_585110612	336.404	IUJODNRUZDJSPP-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-065090
O=C(N1Cc2nccn2C[C@H](CN2CCOCC2)C1)C1(F)CCC1	ZINC22_1565542362	336.404	UPNRNBWEUAFBDM-AWEZNQCLSA-N	00001000100010000101000000000010000000000000000000000000	31-01-065091
O=C(N1Cc2nccn2C[C@@H](CN2CCOCC2)C1)C1(F)CCC1	ZINC22_1614948302	336.404	UPNRNBWEUAFBDM-CQSZACIVSA-N	00001000100010000101000000000010000000000000000000000000	31-01-065092
C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)N1CCNC1=O	CoCoCo_4173780,ZINC22_7132457,PC-id_8254635	336.406	WTLQMQJETLPJFB-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-065093
C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)N1CCNC1=O	PC-id_8254638,CoCoCo_4173781,ZINC22_7132460	336.406	WTLQMQJETLPJFB-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065094
CCOCC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_2960381,EMOLS-id_19345499,PC-id_24355296,ZINC22_11396965,MCULE-1189869007	336.406	QCPGGDWXRMYIEK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065095
Cn1ccc(CS(=O)(=O)Cc2noc3c2CCCCC3)cc1=O	ZINC22_1875281315	336.406	DFLNNNXVBBJZOG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065096
Cn1ncc2c1CCCN(Cc1ccc(c3ccncc3)cc1F)C2	ZINC22_414471568,EMOLS-id_316903823,MCULE-5703016784	336.406	LWXFRJUDXASWFM-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-065097
COc1ccc(S(=O)(=O)N2Cc3cccn3C[C@H](OC)C2)cc1	ZINC22_247817535	336.406	BVLDPKLLODOLFI-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065098
COc1ccc(S(=O)(=O)N2Cc3cccn3C[C@@H](OC)C2)cc1	ZINC22_247817541	336.406	BVLDPKLLODOLFI-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065099
COC1CN(Cc2cccn2C1)S(=O)(=O)c1ccc(OC)cc1	EMOLS-id_50019384	336.406	BVLDPKLLODOLFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065100
O=C1CN(C(CN1C)C(=O)O)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_318824347	336.406	MLWZQRQQAKRESM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065101
O=C1NCCN1C(=O)C(OC(=O)c1cc2c(s1)CCCCC2)C	MCULE-4178043381,EMOLS-id_11904882,PC-id_17400318	336.406	WTLQMQJETLPJFB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065102
O=C(c1sc2c(c1)CCCCCC2)NNC(=O)C1=COCCO1	EMOLS-id_3694801,PC-id_16349871,MCULE-2459391276,CoCoCo_3415966	336.406	VHTBNTSOKHFCJU-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-065103
O=C(OCC(=O)N1CCNC1=O)c1cc2c(s1)CCCCCC2	MCULE-5965368183,PC-id_7618286,ZINC22_5302220,CoCoCo_2876705,EMOLS-id_3698495	336.406	YESXTWDDFMLAOI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065104
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NC1CC1	PC-id_7649800	336.406	RPIMPIGQMSQILI-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-065105
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NCC=C	PC-id_2669535	336.406	NNLMVGDREBFSOB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065106
s1c2c(CCCCC2)c(c1NC(=O)C1CC1)C(=O)NC(=O)OC	PC-id_7521881	336.406	PHUJYGOGKIICCG-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-065107
s1c2c(CCCCC2)c(c1NC(=O)C1=COCCO1)C(=O)NC	PC-id_7475120	336.406	ZKMOQTATRMLJFA-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-065108
N#CC(C(=O)c1cc2c(s1)CCCCC2)c1nc2c(o1)cccc2	MCULE-5014288102,EMOLS-id_36632439,PC-id_53536948	336.408	ICFDUTSEXYZPOO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065109
N#C[C@H](C(=O)c1cc2c(s1)CCCCC2)c1nc2ccccc2o1	PC-id_93784569,ZINC22_41545005	336.408	ICFDUTSEXYZPOO-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065110
N#C[C@@H](C(=O)c1cc2c(s1)CCCCC2)c1nc2ccccc2o1	ZINC22_41545002,PC-id_93784568	336.408	ICFDUTSEXYZPOO-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065111
s1c2CCCCCc2c(c1NC(=O)c1oc2c(c1)cccc2)C#N	PC-id_8441760	336.408	HYWQAFCRMXLLBC-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-065112
Cc1ccc(OCC2CCn3nccc3CN2S(=O)(=O)C)cn1	EMOLS-id_313823008	336.409	RBEGOBPWHBLESZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065113
Cc1ccc(OC[C@@H]2CCn3nccc3CN2S(=O)(=O)C)cn1	ZINC22_585097820	336.409	RBEGOBPWHBLESZ-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065114
Cc1ccc(OC[C@H]2CCn3nccc3CN2S(=O)(=O)C)cn1	ZINC22_585097821	336.409	RBEGOBPWHBLESZ-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065115
Cc1sc2c(n1)CCCCN2C(=O)CCCN1C(=O)CNC1=O	MCULE-1382662124,EMOLS-id_320001254	336.409	CQPRARQXUYTOED-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065116
CCOc1ccc(c(c1)C)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316709630	336.409	OUGBBTAFCYTCOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065117
CCOC(=O)CSC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135789162	336.409	VLUOCSUYWDVKPQ-QXMHVHEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065118
CC(=O)N1CCC(CC1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625293	336.409	DZQGOHTZDKIBGP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065119
CCS(=O)(=O)N1CCc2nn(c(=O)n2CC1)Cc1ccccc1	PC-id_91922528,EMOLS-id_49731361,MCULE-5011652316	336.409	FERHSFPCXCEJML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065120
CCS(=O)(=O)N1CCCn2cnc(COc3cccnc3)c2C1	ZINC22_96259983,PC-id_97520063,EMOLS-id_44371498	336.409	QSWHTKCFRKQPMP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065121
CCS(=O)(=O)N1CC(COc2cccnc2)Cn2c(C1)ncc2	PC-id_118739714	336.409	QRGWQTSAZNZDOY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065122
CN1CC(=O)N(CC(=O)Nc2nc3CCCCCCc3s2)C1=O	PC-id_134696820,MCULE-4382379939,ZINC22_408070297,EMOLS-id_110657607	336.409	IQSBMAPMXNQIBA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065123
CNC(=O)NCCCCCSC1=CC(=O)c2c(CC1=O)cn[nH]2	PC-id_144380231	336.409	YLNFLBRBIZLMQK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-065124
COc1c(C)cc(cc1C)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316707327	336.409	BTTGYLUUTDMTQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065125
COc1cc(C)c(c(c1)C)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319471070	336.409	MFFQWYVJFLDDLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065126
COc1cc(C)c(cc1C)S(=O)(=O)N1CCCn2c(C1)cnn2	MCULE-2977017085,EMOLS-id_319898608	336.409	OXSBMGIWTYFNFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065127
COc1ncc(cc1C)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319897481,MCULE-1390400909	336.409	POXRTOJBSFWEFS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065128
COc1snc(c1CNC(=O)c1n[nH]c2c1CCCCC2)OC	MCULE-3102243688,EMOLS-id_320175824	336.409	QBCWHSUBHDUCNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065129
COc1snc(c1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)OC	EMOLS-id_319951566,MCULE-3023693921	336.409	MUEWRYMZDMYBNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065130
O=C1CCN(CC(=O)Nc2nc3c(s2)CCCCCC3)C(=O)N1	MCULE-6489333844,EMOLS-id_36361546,ZINC22_69654854,PC-id_53591415	336.409	CLPZRJCTDKEPQM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065131
O=C(Cn1nc2n(c1=O)CCCCC2)NCC(c1ccsc1)O	PC-id_111441308	336.409	RZSHWEOBVNBMKY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-065132
O=C(NC1CCC(=O)NC1=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890289	336.409	IXNBPCFPCAMAHE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065133
O=S(=O)(Cc1noc2c1CCCC2)c1nnc2n1CCCCC2	MCULE-6200190926,ZINC22_108933595,EMOLS-id_189746240	336.409	GHXJQZXQDQYFDO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-065134
s1c2CCCCCc2nc1NC(=O)CN1CCC(=O)N(C1=O)C	PC-id_74659947	336.409	ZLXHLFYSSAFCQB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065135
c1(c2ccccc2sc1C)C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_1857710396,EMOLS-id_330423510,MCULE-4946993020	336.411	VHSLUCDZUHYTCK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065136
C1CCc2nnc(n2CC1)C(=Cc1cc2c(cccc2s1)O)C#N	PC-id_136556009,EMOLS-id_177314728,MCULE-7174607262	336.411	KIQJGCIAGMRXCT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065137
C1CCc2nnc(n2CC1)/C(=C/c1cc2c(cccc2s1)O)/C#N	PC-id_137216184	336.411	KIQJGCIAGMRXCT-FMIVXFBMSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065138
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc2c(c1)ccs2	EMOLS-id_100076805	336.411	HTIDVOPINZTCIG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065139
N#CC(c1nnc2n1CCCCC2)C(=O)c1cccc2c1scc2	MCULE-3733982103,PC-id_121568900,EMOLS-id_76030708	336.411	WDBPXVVNYDEENC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065140
N#C[C@@H](C(=O)c1cccc2ccsc12)c1nnc2n1CCCCC2	ZINC22_253432048	336.411	WDBPXVVNYDEENC-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065141
N#C[C@H](C(=O)c1cccc2ccsc12)c1nnc2n1CCCCC2	ZINC22_253432055	336.411	WDBPXVVNYDEENC-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065142
CCOC(=O)c1c2-c(c(c1S)C(=O)OCC)ccc(cc2)S	PC-id_102108074	336.426	UKDFMKDBWXLFHP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065164
S(Cc1nn(c2c1ccccc2=O)C)c1[nH]c2c(n1)ccc(c2)C	PC-id_9997148	336.411	BKGSJKCBDVELRZ-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-065143
Cc1ccc(NCc2cnc3CCN(CCn23)S(=O)(=O)C)nn1	PC-id_97390249,EMOLS-id_46161929,ZINC22_96067943	336.413	WQTPOYRUICKZNF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-065144
Cc1cc(NCc2cc3CN(CCCn3n2)S(=O)(=O)C)ncn1	PC-id_70751015,EMOLS-id_44439763,MCULE-5614105901,ZINC22_82121157	336.413	XSNGEKNIOHFOPC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-065145
Cc1nccc(NCc2cc3CN(CCCn3n2)S(=O)(=O)C)n1	MCULE-6872613445,EMOLS-id_44435137,PC-id_70737856,ZINC22_82108956	336.413	FSQOAVMCDBNYRJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-065146
CCS(=O)(=O)N1CCCn2c(C1)c(CNc1cccnc1)nn2	PC-id_97519588	336.413	NCQHCUUJWLPJSA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065147
COc1cnc(s1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319413572	336.413	STKAMYKEDWLUSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065148
COc1nscc1NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319370339	336.413	QYALCPSOLUXXGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065149
COc1nscc1NC(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_318961492	336.413	QIOLAJKLYFELQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065150
O=S(=O)(c1cnc2n1CCC2)NCc1nnc2n1CCCCC2	EMOLS-id_100199094	336.413	RECWQIUZPHLOED-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-065151
O=S(=O)(c1cnn(c1)C1CCCC1)N1CCCn2c(C1)cnn2	MCULE-7436899505,EMOLS-id_319958772	336.413	LYTWVGYXNNUFHT-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-065152
O=S(=O)(c1cnn(c1)CC1CCC1)N1CCCn2c(C1)cnn2	EMOLS-id_319908018,MCULE-9241274198	336.413	LFBXNBIZOLTCEY-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-065153
c1(C(=O)NCCSc2nnnn2C)cc2n(CCCN(C)C2)n1	ZINC22_65429987,EMOLS-id_32410362,PC-id_50970433,MCULE-3617966503	336.416	DSMFDELOOFFVTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065154
O=C(Nc1nnc(s1)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102010488	336.416	VJAXBLWMJKKOKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065155
O=C(Nc1nnc(s1)CC(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102027403	336.416	DCQCILAXXOCSSN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065156
O=C(Nc1snc(n1)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102020287	336.416	QVGOEMUIUMAKFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065157
O=C(NCc1nnc2n1CCCCC2)CCSc1nnnn1C	EMOLS-id_98166109	336.416	BLLCUEBGZGCELL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065158
Cc1sc(c2c1OCC(CO2)OCCCCS(=O)(=O)O)C	SCHEMBL12216825,PC-id_58479011	336.424	RZTRSBOBGQRMMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065159
CCCC(S(=O)(=O)O)CCOC1COc2c(OC1)csc2	PC-id_140307217	336.424	NMIZSKDOGYEYKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065160
CC(C(S(=O)(=O)O)CCOC1COc2c(OC1)csc2)C	PC-id_140307225	336.424	KOBBTGRTUJJONJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065161
CCOC1CC(C1(C)C)(CO)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101039644	336.426	OSWCQPNRVSUNCM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-065162
CCOC1CC(C1(C)C)(O)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100214725	336.426	QKZQCZSODMESCG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-065163
CCOC(=O)c1c2CCCCCc2n(c1C)NC(=O)OC(C)(C)C	PC-id_101439210	336.426	HSPADLMSVROJMS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065165
O=C(c1noc2c1CCCCC2)NCC(C1(O)CCOCC1)(C)C	EMOLS-id_101792918	336.426	DHTNTELOABFUNI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065166
OCC(C(C1CCCCC1)O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_319807741	336.426	BPFDHKBWTSSTKU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065167
CCC=C(C=CC(=NC(=CC)c1c2-c(ccccc2)[nH]c1=O)C)OC	PC-id_89013507	336.427	QVDSGILROBGZAW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065168
CC/C=C(C=C/C(=N/C(=CC)/c1c(=O)[nH]c2-c1ccccc2)/C)/OC	SCHEMBL13077160	336.427	QVDSGILROBGZAW-MAVCUDFCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065169
OCCCc1c2c([nH]c1/C=C
/c3c(NC1=O)cccc3)CCCCC2	PC-id_69871308,SCHEMBL6700625	336.427	OZIQOHBHWJYEGW-LGMDPLHJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-065170
OCCCc1c2c([nH]c1C=C1c3c(NC1=O)cccc3)CCCCC2	PC-id_77734482	336.427	OZIQOHBHWJYEGW-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-065171
CN(S(=O)(=O)CCS(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_319873247,MCULE-4061020942	336.428	FWNMDHDOMMLAKI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065172
c1(C(=O)N2CC[C@]([C@H](O)C2)(CCC)CO)nnc2CCCCCn12	MCULE-9880969520,ZINC22_1875248855,EMOLS-id_331091762	336.429	SWIJYFCTLQLQER-CXAGYDPISA-N	00000000100010000101000000000010000000000000000000000000	31-01-065173
c1(C(=O)NC(C)CC(=O)OCC)cc2n(CCCN(C(C)C)C2)n1	MCULE-8144812237,PC-id_50983138,EMOLS-id_32434248	336.429	XRRFFFHBDNSDLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065174
CCC1(CO)CCN(CC1)C(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_109907772	336.429	USSFVEXRXOBCLM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065175
CC(C)(C)OC(=O)N1CCCc2nn(c(c2C1)O[C@H]1CCNC1)C	PC-id_136590241	336.429	QITLYWUAXPVBLK-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065176
CCOC1CC(C1(C)C)(CO)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319482091	336.429	MRMBAUQTOMBGCQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-065177
CCOC(=O)C[C@@H](C)NC(=O)c1cc2n(n1)CCCN(C(C)C)C2	ZINC22_65527412	336.429	XRRFFFHBDNSDLD-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065178
CCOC(=O)C[C@H](C)NC(=O)c1cc2n(n1)CCCN(C(C)C)C2	ZINC22_65527413	336.429	XRRFFFHBDNSDLD-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065179
CN(C)CCOCC1CN(Cc2ccnn2C1)C(=O)C1CCOC1	EMOLS-id_44326921	336.429	VKJIHZGHDXJXAO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065180
CN(C)CCOCC1CN(Cc2ccnn2C1)C(=O)[C@H]1CCCO1	EMOLS-id_44326923,PC-id_118739727	336.429	GOZRJUXIOPGJGV-BZSJEYESSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065181
CN(C)CCOCC1CN(Cc2nccn2C1)C(=O)C1CCOC1	EMOLS-id_46160441	336.429	HQCZBGBQIVJGAH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065182
CN(C)CCOC[C@H]1CN(C(=O)[C@H]2CCCO2)Cc2ccnn2C1	ZINC22_96188996,PC-id_97463415	336.429	GOZRJUXIOPGJGV-GOEBONIOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065183
CN(C)CCOC[C@@H]1CN(C(=O)[C@H]2CCCO2)Cc2ccnn2C1	ZINC22_96188997,PC-id_97463416	336.429	GOZRJUXIOPGJGV-GDBMZVCRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065184
CN(C)CCOC[C@H]1CN(C(=O)[C@@H]2CCOC2)Cc2ccnn2C1	PC-id_97463411,ZINC22_96188992	336.429	VKJIHZGHDXJXAO-LSDHHAIUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065185
CN(C)CCOC[C@@H]1CN(C(=O)[C@@H]2CCOC2)Cc2ccnn2C1	PC-id_97463412,ZINC22_96188993	336.429	VKJIHZGHDXJXAO-HUUCEWRRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065186
CN(C)CCOC[C@H]1CN(C(=O)[C@H]2CCOC2)Cc2ccnn2C1	ZINC22_96188994,PC-id_97463413	336.429	VKJIHZGHDXJXAO-GJZGRUSLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065187
CN(C)CCOC[C@@H]1CN(C(=O)[C@H]2CCOC2)Cc2ccnn2C1	ZINC22_96188995,PC-id_97463414	336.429	VKJIHZGHDXJXAO-CABCVRRESA-N	00000010100000000101000000000010000000000000000000000000	31-01-065188
CN(C)CCOC[C@@H]1CN(C(=O)[C@@H]2CCOC2)Cc2nccn2C1	PC-id_97389162,ZINC22_96066823	336.429	HQCZBGBQIVJGAH-LSDHHAIUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065189
CN(C)CCOC[C@H]1CN(C(=O)[C@H]2CCOC2)Cc2nccn2C1	PC-id_97389163,ZINC22_96066824	336.429	HQCZBGBQIVJGAH-CABCVRRESA-N	00000010100000000101000000000010000000000000000000000000	31-01-065190
CN(C)CCOC[C@H]1CN(C(=O)[C@@H]2CCOC2)Cc2nccn2C1	ZINC22_96066822,PC-id_97389161	336.429	HQCZBGBQIVJGAH-HUUCEWRRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065191
CN(C)CCOC[C@@H]1CN(C(=O)[C@H]2CCOC2)Cc2nccn2C1	ZINC22_96066825,PC-id_97389164	336.429	HQCZBGBQIVJGAH-GJZGRUSLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065192
CN(C)C(=O)COCC1CN(CC2CCOC2)Cc2ccnn2C1	EMOLS-id_44327003	336.429	XFVZOHRZSRBSKX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065193
CN(C)C(=O)COC[C@H]1CN(C[C@H]2CCOC2)Cc2ccnn2C1	PC-id_98777698,ZINC22_107210765	336.429	XFVZOHRZSRBSKX-CABCVRRESA-N	00000010100000000101000000000010000000000000000000000000	31-01-065194
CN(C)C(=O)COC[C@@H]1CN(C[C@H]2CCOC2)Cc2ccnn2C1	ZINC22_107210763,PC-id_98777696	336.429	XFVZOHRZSRBSKX-HUUCEWRRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065195
CN(C)C(=O)COC[C@H]1CN(C[C@@H]2CCOC2)Cc2ccnn2C1	ZINC22_96189076	336.429	XFVZOHRZSRBSKX-GJZGRUSLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065196
CN(C)C(=O)COC[C@@H]1CN(C[C@@H]2CCOC2)Cc2ccnn2C1	ZINC22_96189077	336.429	XFVZOHRZSRBSKX-LSDHHAIUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065197
COCC(=O)NCC1CN(CC2CCOCC2)Cc2ccnn2C1	EMOLS-id_55738662	336.429	BLSINHYHJIBDNX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065198
COCC(=O)NC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1	ZINC22_306124283	336.429	BLSINHYHJIBDNX-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065199
COCC(=O)NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1	ZINC22_306124284	336.429	BLSINHYHJIBDNX-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065200
COC(=O)c1sccc1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_319287220	336.429	AFOGDJNHWAUNDJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-065201
N(=C(c1c2-c(cc1)ccccc2)C)N=C(c1c2-c(cc1)ccccc2)C	PC-id_86110616	336.429	ZFPUJZUWDJRSHN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065202
N(=Nc1ccc(Cc2ccccc2)cc1)c1c2-c(c(c1)C)ccccc2	PC-id_10640626	336.429	KXFGFYBOZVLYRK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-065203
N(N=Cc1c2-c(cc1)ccccc2)(Cc1ccccc1)c1ccccc1	PC-id_86110577	336.429	RDKTWLQJWFZTAM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-065204
OC1(CN2CCCn3nc(cc3C2)C)CCCN(C1=O)CCOC	PC-id_56718907	336.429	AHVPTRVOHSTIFE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065205
OCC1CCC(CC1)N(C(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_112361544	336.429	WSXJYTBUSQLRDQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065206
OCC1CCCCCC1NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_109871290	336.429	AWPVBZNIZDSHBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065207
O=C(Cn1nc2n(c1=O)CCCCC2)NCC1(O)CCCCCC1	PC-id_111433284	336.429	QBSYVWRQPHABPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065208
O=C(O)c1csc(CNC(=O)c2cc3c(s2)CCCCC3)n1	ZINC22_170643356,MCULE-6478471923,PC-id_91643548,EMOLS-id_50328313	336.429	NAGSZRWMGJREQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065209
s1c2CCCCCc2cc1C(=O)Nc1sc(cn1)C(=O)OC	PC-id_39725360	336.429	BRPXYXFEYFKGEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065210
c1ccc(cc1)c1ccc(o1)CNCCc1nnc2n1CCCCC2	MCULE-5085180681,PC-id_119111953,EMOLS-id_51669299	336.431	HKJFLEAILCNBHJ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-065211
c1ccc(Cc2nnc3n2CCN(CCCc2ccco2)CC3)cc1	EMOLS-id_55618846,ZINC22_244724227,MCULE-8327976455,PC-id_91830785	336.431	MQEZQTQRJPNGSY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-065212
c1(CC(=O)N2CCCn3cncc3C2)c(C)[nH]c2c(cc(C)cc12)C	EMOLS-id_44722174,ZINC22_91645243,PC-id_70744810,MCULE-7550817781	336.431	SXCGRPDQDUNJAC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065213
c1(C(=O)N2CCC(=CC2)c2ccccc2)cc2n(CCCN(C)C2)n1	PC-id_50962696,EMOLS-id_32395758,MCULE-8861357674,ZINC22_65403273	336.431	BRBIJNHDVBASOG-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-065214
c1(C(=O)N2CCC=CC2)cc2n(CCCN(Cc3ccccc3)C2)n1	PC-id_50979077,ZINC22_65495068,EMOLS-id_32426616,MCULE-9148491593	336.431	CXEUGSRTHSJPFC-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-065215
c1(C(=O)Nc2cccc3c2ccn3C(C)C)c2CCCCCc2[nH]n1	EMOLS-id_323251637,MCULE-1941817586	336.431	ZHAOZWWGNFZNDQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065216
c1(C(=O)NCCc2c3ccccc3n(C)c2)c2CCCCCc2[nH]n1	MCULE-5656340362,EMOLS-id_323256250	336.431	VLFNHYXQXYSKAO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065217
c1(C(=O)NCCCn2c3ccccc3cc2)c2CCCCCc2[nH]n1	EMOLS-id_323255218,MCULE-4451812410	336.431	JHCRZKJQRCRYEU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065218
c1(C(=O)NCCn2ccc3c(cccc23)C)c2CCCCCc2[nH]n1	EMOLS-id_323248829,MCULE-1902396267	336.431	BZRNSNFLVDBJEO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065219
c1(C(=O)NCCn2ccc3cc(C)ccc23)c2CCCCCc2[nH]n1	MCULE-3515859061,EMOLS-id_323252656	336.431	JUDAZGSQSOFQBL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065220
Cc1ccc2c(c1)[nH]cc2C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319519992	336.431	IXABOVOCRDHODK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065221
Cc1ccc2[nH]c(C)c(CCN[C@H]3CCNC(=O)c4[nH]ccc34)c2c1	ZINC22_2325803648	336.431	SEKFTNMLZGJRNG-KRWDZBQOSA-N	00000000100000100100000001100010000000000000000000000000	31-01-065222
Cc1ccc2[nH]c(C)c(CCN[C@@H]3CCNC(=O)c4[nH]ccc34)c2c1	ZINC22_2325803649	336.431	SEKFTNMLZGJRNG-QGZVFWFLSA-N	00000000100000100100000001100010000000000000000000000000	31-01-065223
Cc1ccc(cc1)c1ccc(o1)CNCc1nnc2n1CCCCC2	PC-id_121837631,EMOLS-id_51089179,MCULE-2164932968	336.431	YWSVFHRLAONLTL-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-065224
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1cn(c2c1cccc2)C	EMOLS-id_320087979,MCULE-6638695439	336.431	QOOOKAZPBDUFEG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065225
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1c[nH]c2c1cccc2C	EMOLS-id_318798805	336.431	HIZDFJYJISSHOI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065226
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(c1c[nH]c2c1cccc2)C	EMOLS-id_318810622	336.431	QXGUBRTWKJLEAA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065227
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1c[nH]c2c1ccc(c2)C	EMOLS-id_319446706	336.431	WWZQJSVKXFMVPY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065228
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCc1c[nH]c2c1cccc2	EMOLS-id_318973070	336.431	ZSIMJFXFXBGDNX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065229
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Cn1ccc2c1cccc2)C	EMOLS-id_319243013	336.431	FRTYAHGKWYJZPB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065230
CCc1cccc2c1[nH]cc2CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319714808	336.431	HCUQHIGPLMJFHB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065231
CCc1ccccc1CNC1=CCC(=Cn2c1nc(c2C)C)C(=O)N	PC-id_141969622	336.431	RSTNMZQGOMLKMJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-065232
CCN(C1=NN(Cc2ccccc2)C(=O)n2c(C=C1C)ccc2)CC	PC-id_101042617	336.431	SYHPNSZQULCEQK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-065233
CNC(=O)CC1CN(Cc2cccc3[nH]ccc23)Cc2cccn2C1	EMOLS-id_313811232	336.431	KUNVHXHYNQETFI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065234
CNC(=O)C[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2cccn2C1	ZINC22_585099091	336.431	KUNVHXHYNQETFI-HNNXBMFYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065235
CNC(=O)C[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2cccn2C1	ZINC22_585099092	336.431	KUNVHXHYNQETFI-OAHLLOKOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065236
n1c(CNC(=O)CCc2c3ccccc3[nH]c2)c2c(CCCCC2)[nH]1	ZINC22_221252920,MCULE-8512476123,PC-id_90651922,EMOLS-id_50542723	336.431	UGAFRMPSKGGNHD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065237
N#Cc1cccc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)c1	PC-id_97463516,ZINC22_96189101	336.431	QCPRNXDMIRCENW-IBGZPJMESA-N	00100000100000110101000000000010000000000000000000000000	31-01-065238
N#Cc1cccc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)c1	ZINC22_96189100,PC-id_97463515	336.431	QCPRNXDMIRCENW-LJQANCHMSA-N	00100000100000110101000000000010000000000000000000000000	31-01-065239
N#Cc1cccc(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)c1	PC-id_97462336,ZINC22_96187887	336.431	QMVJVFUPXGJCCV-IBGZPJMESA-N	00100000100000110101000000000010000000000000000000000000	31-01-065240
N#Cc1cccc(CN2Cc3nccn3C[C@H](COCC3CC3)C2)c1	ZINC22_96187886,PC-id_97462335	336.431	QMVJVFUPXGJCCV-LJQANCHMSA-N	00100000100000110101000000000010000000000000000000000000	31-01-065241
N#Cc1cccc(CN2CC(COCC3CC3)Cn3ccnc3C2)c1	PC-id_118743652,EMOLS-id_44325919	336.431	QMVJVFUPXGJCCV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-065242
N#Cc1cccc(CN2CC(COCC3CC3)Cn3nccc3C2)c1	EMOLS-id_44327029	336.431	QCPRNXDMIRCENW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-065243
O(CCCC)c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_78650310	336.431	MGCOSYJMAUEBSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065244
O(CCCC)c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_8275291	336.431	MGCOSYJMAUEBSH-SAPNQHFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-065245
O=C(NCCc1c2c([nH]c1)cccc2)Cn1nc2CCCCCc2c1	PC-id_46261613	336.431	SRVDARQUXAWLTQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065246
CC(=O)Nc1scc(n1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318944706	336.432	FJEFDCGXRGYNCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065247
N#Cc1scc(c1)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_279063341	336.432	OKUOROHIGNIFKO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-065248
N#Cc1scc(c1)CS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-2957029618,EMOLS-id_320151020	336.432	VORHZIJNSIBRTF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-065249
O=c1nc(S)c(c([nH]1)C)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_319457797	336.432	INVGBGBVLBKFHS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-065250
O=C(CSc1nnc2n1CCCCC2)NC(=O)c1cccs1	CoCoCo_3654398,PC-id_8105536,MCULE-7740429449,EMOLS-id_3535308,ZINC22_6879939	336.432	ZFNGECIWSOUTNE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-065251
O/C(=C/Sc1nnc2n1CCCCC2)/NC(=O)c1cccs1	CoCoCo_3654401,CoCoCo_3654400	336.432	IQJXBPWKZTUUNL-FMIVXFBMSA-N	00000000100100000101000000000010000000000000000000000000	31-01-065252
O/C(=CSc1nnc2n1CCCCC2)/NC(=O)c1cccs1	CoCoCo_3654402,CoCoCo_3654399	336.432	IQJXBPWKZTUUNL-XFXZXTDPSA-N	00000000100100000101000000000010000000000000000000000000	31-01-065253
CCCC1(CCCN1C(=O)NC1CCn2c(CC1)nnn2)COC	EMOLS-id_102168937	336.433	GSNZSMVWFPJZDJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065254
CC(CC1OCCCC1NC(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102171728	336.433	OVOONNHLRIABTQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065255
CC(CC(C(=O)N(C)C)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_318903448	336.433	NUDZDJLZZWNQEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065256
CC(C(N1CCOCC1)C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320099213,MCULE-3101515657	336.433	CSGFLPBQQBHQMJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065257
CC(CN1CCOCC1)CNC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-3284955992,EMOLS-id_320028083	336.433	NXHMUQLCJPIPOQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065258
CC(C)NC(=O)C1CN(Cc2ncnn2C1)C(=O)CN(C)C(C)C	EMOLS-id_313721050	336.433	MAKCEFHPLPWGOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065259
CC(C)NC(=O)[C@@H]1CN(C(=O)CN(C)C(C)C)Cc2ncnn2C1	ZINC22_1565549126	336.433	MAKCEFHPLPWGOP-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065260
CC(C)NC(=O)[C@H]1CN(C(=O)CN(C)C(C)C)Cc2ncnn2C1	ZINC22_1614931781	336.433	MAKCEFHPLPWGOP-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065261
CCCOC1CCCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163249	336.433	KFLXLTRMEJNQAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065262
C[C@@H](CN1CCOCC1)NC(=O)NCc1nnc2n1CCCCC2	PC-id_97087196,ZINC22_89900538	336.433	VGNCFGJSTDSQEQ-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065263
C[C@H](CN1CCOCC1)NC(=O)NCc1nnc2n1CCCCC2	PC-id_97087197,ZINC22_89900540	336.433	VGNCFGJSTDSQEQ-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065264
CC(NC(=O)NCc1nnc2n1CCCCC2)CN1CCOCC1	MCULE-5904785327,PC-id_71894011,EMOLS-id_45753620	336.433	VGNCFGJSTDSQEQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065265
CCOC1CC(C1(C)C)N(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102164992	336.433	JICXDSHGYQIEKD-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-065266
CC(OC1CC(C1(C)C)NC(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102170240	336.433	MCUGBHYFNLVUDX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-065267
CN(C)C(=O)NCc1nnn2c1CN(CC1CCOCC1)CCC2	PC-id_97519592,ZINC22_96259509,EMOLS-id_44370566	336.433	KURLKCCXELCCEW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065268
CN(C(=O)NC1CCn2c(CC1)nnn2)CC1(O)CCCCCC1	EMOLS-id_102168826	336.433	NRKIURMHYXIENK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065269
COC1CC(C1(CC)CC)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102160771	336.433	MUUAEBYASBKZJE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-065270
COC1(C)CC(C1(C)C)N(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102164950	336.433	BIOCWFVLAAMWPQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-065271
COC1CCC(CC1)CCNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168451	336.433	FRNLUCJPPDUNJH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065272
COC1(CCC(CC1)C)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102174503	336.433	QCXJNDFMHWLYLD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065273
COCC1(CCCCC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179913	336.433	XDEPIMBPJGFVDV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065274
COCC1OCCN(C1)C(=NC)NCc1nnc2n1CCCCC2	PC-id_120052239	336.433	NVDLXHUSGYFNKP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065275
COCCN1CCC(CC1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319639074	336.433	JYWRHBWOWFCICK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065276
NCC(=O)[C@]1(C)CCCCn2nncc2C[C@](C(=O)CN1)(C)NC	SCHEMBL13034616,PC-id_58027930	336.433	NSMHXBJTZBQKLH-HOTGVXAUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065277
NCC(=O)[C@]1(C)CCCCn2nnc(C[C@](C(=O)CN1)(C)NC)c2	SCHEMBL13034607,PC-id_58027962	336.433	CHABQGMQQAIDLQ-HOTGVXAUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065278
NCC(=O)[C@@]1(C)NCC(=O)[C@@](C)(NC)CCCCn2c(C1)cnn2	PC-id_58027952,SCHEMBL13034618	336.433	JFDUMQOGASSHSZ-HOTGVXAUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065279
NCC(=O)[C@@]1(C)NCC(=O)[C@@](C)(NC)CCCCn2cc(C1)nn2	PC-id_58027935,SCHEMBL13034609	336.433	DTHHOFNCQRYLEJ-HOTGVXAUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065280
O=C1C(NC)(Cc2n(nnc2)CCCCC(NC1)(C)C(=O)CN)C	PC-id_76667552	336.433	NSMHXBJTZBQKLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065281
O=C1C(NC)(Cc2nnn(CCCCC(NC1)(C)C(=O)CN)c2)C	PC-id_76667580	336.433	CHABQGMQQAIDLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065282
O=C1C(NC)(CCCCn2nncc2CC(NC1)(C)C(=O)CN)C	PC-id_76667572	336.433	JFDUMQOGASSHSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065283
O=C1C(NC)(CCCCn2nnc(CC(NC1)(C)C(=O)CN)c2)C	PC-id_76667557	336.433	DTHHOFNCQRYLEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065284
OCC1(CCCN1C(=O)NC1CCn2c(CC1)nnn2)CC(C)C	EMOLS-id_102168877	336.433	QKTJAHZAWQWSMC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065285
OCC1(CCCN(C1)C(=O)NC1CCn2c(CC1)nnn2)C(C)C	EMOLS-id_102161341	336.433	RFHLRRAVZVAUMO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065286
OCC(C1CCCCC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161326	336.433	VNQNIMZZNWTUQB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065287
OCCC1(CCCCC1)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165070	336.433	WEQZFGDSILGZPB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065288
OCC(C1CCCCC1)(NC(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102165079	336.433	YWWAEMDSAHMJEC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065289
OCCC(C1CCCCC1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165187	336.433	JFSBFBWXWDKOLZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065290
OCCCCCN1CCN(CC1)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_279046437	336.433	DPIDCKLNYFEKJL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065291
O=C(CNC(=O)[C@H](C(C)C)N)NCCc1nnc2n1CCCCC2	EMOLS-id_302981128,PC-id_120170123,MCULE-4848850697	336.433	IOIHDRDVLBCHNK-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065292
OCC(NC(=O)NC1CCn2c(CC1)nnn2)CC1CCCCC1	EMOLS-id_102107126	336.433	XLARTEUQXHTVJS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065293
O=C(N1CCCn2c(C1)cc(n2)N)NCCN1CCOC(C1)(C)C	EMOLS-id_319021078	336.433	KCVRPIOMOBACPL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065294
O=C(N1CCCn2c(C1)cc(n2)N)NCCN1CCOCC1(C)C	EMOLS-id_320162486,MCULE-1432221399	336.433	GLMULANMAIPTMB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065295
O=C(NC1CCn2c(CC1)nnn2)NCC1CCCOC1C(C)C	EMOLS-id_102182787	336.433	PXYDGSCIILLQQP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065296
O=C(NC1CCn2c(CC1)nnn2)NCC1CCOC(C1)C(C)C	EMOLS-id_102182898	336.433	KQKFPHMJILPVMM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065297
O=C(NC1CCn2c(CC1)nnn2)NCC(C1(O)CCCC1)(C)C	EMOLS-id_102107009	336.433	TWYFUTJHIVXBMH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065298
O=C(NC1CCn2c(CC1)nnn2)NCCOC1CCCCC1C	EMOLS-id_102168286	336.433	XVIDVSYFMXWZNQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065299
O=C(NC1CCn2c(CC1)nnn2)NCCOC1CCCCCC1	EMOLS-id_102179742	336.433	UFDRECBLXQUQBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065300
O=C(NC1CCOC(C1)CC(C)C)NC1CCc2n(CC1)nnn2	EMOLS-id_102166771	336.433	CNDWAXVDUDHGPH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065301
O=C(NC1CCOC(C1)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102164851	336.433	NNAQDQQLOZDZEE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065302
O=C(NC(C)(C)C)CNC(=O)NCCc1n2CCCCCc2nn1	PC-id_52220570	336.433	AFKIJPPXVBQAES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065303
O=C(N[C@@H](c1nnc2n1CCCCC2)C)CNC(=O)[C@H](C(C)C)N	PC-id_120170133	336.433	CECYHUVKARBGPB-RISCZKNCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065304
c1(CN(C)Cc2cccn2c2ncccn2)c2CCCCCc2[nH]n1	PC-id_50951696,MCULE-8818374301,ZINC22_67514947,EMOLS-id_32374890	336.434	RSDZZWPNWLKAIR-UHFFFAOYSA-N	00000000110000100101100000000010000000000000000000000000	31-01-065305
Cc1cnnn1Cc1ncn2c1CN(CCc1ccccc1)CCC2	EMOLS-id_313730524,ZINC22_2055714754	336.434	QDNGZGQKGFMWEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065306
CC(c1ccccc1n1cccn1)NCc1nnc2n1CCCCC2	MCULE-5119993826,PC-id_84585766,EMOLS-id_49090706	336.434	YPMPIOSOLHPEEV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065307
CC(C)c1nnc2CCN(Cc3cccn3c3ccccn3)CCn12	CoCoCo_1625793,PC-id_42422844,EMOLS-id_20736017,MCULE-3097538251,CoCoCo_1625794,ZINC22_12130636	336.434	BHXXJYJPKCDCGH-UHFFFAOYSA-N	00000000110000101101100000000010000000000000000000000000	31-01-065308
CC(C)c1nnc2CCN(Cc3cccn3c3cccnc3)CCn12	CoCoCo_1636413,CoCoCo_1636414,EMOLS-id_20742779,MCULE-5126100313,ZINC22_15068593,PC-id_26399160	336.434	BOCFXPDZKDBYST-UHFFFAOYSA-N	00000000110000101101100000000010000000000000000000000000	31-01-065309
C[C@H](NCc1nnc2n1CCCCC2)c1ccccc1n1cccn1	ZINC22_95407518,PC-id_97221070	336.434	YPMPIOSOLHPEEV-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065310
C[C@@H](NCc1nnc2n1CCCCC2)c1ccccc1n1cccn1	ZINC22_95407519,PC-id_97221071	336.434	YPMPIOSOLHPEEV-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065311
CCn1cc(CN2CCc3nc(Cc4ccccc4)nn3CC2)cn1	ZINC22_2356155607,EMOLS-id_337789014,MCULE-5776511871	336.434	JVXIQFVNEOJLRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065312
Cn1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cn1	MCULE-2853660492,ZINC22_14974281,CoCoCo_1468428,PC-id_26330703,CoCoCo_1468429,EMOLS-id_20633327	336.434	UPCXNKXRRRWQII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065313
Cn1ccnc1CN1CCc2nc(CCc3ccccc3)nn2CC1	MCULE-4606731370,ZINC22_2356165465,EMOLS-id_337829748	336.434	AMFBHBYQBDNLEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065314
Cn1nccc1CNc1ccc(Cc2nnc3n2CCCCC3)cc1	PC-id_121532399,EMOLS-id_73038173,MCULE-9308125797,ZINC22_185389950	336.434	SQKCYXMKSWBNDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065315
CN(Cc1cc2CNCCCn2n1)Cc1cc(n[nH]1)c1ccccc1	MCULE-6245975426,EMOLS-id_43146406,ZINC22_72152041,PC-id_56905554	336.434	NWFXZOZDHHJLFP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065316
CN1CCN(CC1)CC(NC(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_318890628	336.436	XYNOPNBRMOEWDS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065317
Cc1c2-c(c(cc2C=CC=CC(=CC=O)CF)C)cc(cc1)C(C)C	PC-id_88927760	336.442	XLZXBYZPUXBGAN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065318
FC(=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C)/C=C/C(=C/C=O)/C	PC-id_57983849	336.442	CZCNVSUHPWOOTG-SBSHIPCSSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065319
FC(=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C)C=CC(=CC=O)C	PC-id_76695595	336.442	CZCNVSUHPWOOTG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065320
F/C(=C(C=CC=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C)/C)/C=O	PC-id_14775673	336.442	OIRGHKFNURRVTG-IREWRQLASA-N	00000010100000000110000000000010000000000000000000000000	31-01-065321
FC(=C(C=CC=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C)C)C=O	PC-id_72739149	336.442	OIRGHKFNURRVTG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065322
O=C/C=C(C=CC=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C)/CF	SCHEMBL12510594	336.442	XLZXBYZPUXBGAN-IOOFYOGXSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065323
O=C/C(=C(/C=C/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C)C)/F	SCHEMBL2606683	336.442	OIRGHKFNURRVTG-VTYWHFNGSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065324
O=C/C=C(/C=C/C(=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C)/F)C	SCHEMBL10001478	336.442	CZCNVSUHPWOOTG-KCHHPHDHSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065325
CCC(C)c1cc2-c(cc(ccc2OC)C(C)C)c1S(=O)(=O)O	PC-id_88671630	336.446	DCQZUIWCYOCKQL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065326
CCCCc1cc(c2-c1c(OC)ccc(c2)C(C)C)S(=O)(=O)O	SCHEMBL10807465,PC-id_13559104	336.446	UZXVIXNMYRUZHD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065327
c1ccc(cc1)CC1(COc2c(OC1)ccs2)Cc1ccccc1	SCHEMBL14935129,PC-id_89556458	336.447	IPQHYVWYHFYLKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065328
c1ccc(cc1)CC1(COc2c(OC1)csc2)Cc1ccccc1	SCHEMBL2342176,PC-id_12148661	336.447	RAFYYIMNKPHCIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065329
C1C(Oc2c(OC1Cc1ccccc1)csc2)Cc1ccccc1	SCHEMBL1800973,PC-id_57822888	336.447	RJKWSMUQTSPDJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065330
CCOc1cccc(OCC)c2-c1c([n+](c2C)Cc1ccccc1)C	SCHEMBL14345872,MCULE-6846539385,EMOLS-id_4440094,PC-id_750358,CoCoCo_1811361	336.447	UPNKQTGOHSIONW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-065331
O=C(CSc1ccc(F)cc1)Nc1nc2c(s1)CCCCC2	MCULE-2854293688,EMOLS-id_19929319,ZINC22_22312210,PC-id_24603982,CoCoCo_4546157	336.447	LXUAUUBTNDLXDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065332
s1c2CCCCCc2nc1NC(=O)CSc1c(F)cccc1	PC-id_30208380	336.447	LSWSDDXXQKDGOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065333
c1(c2CCCCCc2sc1NC(=O)CC)C(=O)N1CCOCC1	EMOLS-id_1230879,CoCoCo_81707,MCULE-3083856255,PC-id_724240,ZINC22_130334	336.449	YBTJGSXNEBTJFA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065334
c1(NC(=O)C=CC(=O)O)sc2c(CCCCCCCCCC2)n1	PC-id_71820497,MCULE-6225062346	336.449	QKHVFRDVGBPZQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065335
c1(NC(=O)NC2CCCCC2)sc2c(CCCCC2)c1C(=O)O	EMOLS-id_179129666,PC-id_28860432,MCULE-4446204498	336.449	CTNQOSKFAMYPCN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-065336
C[C@H](O)C(=O)N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	ZINC22_124333702	336.449	RTNSSHPAOKUEAS-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065337
C[C@@H](O)C(=O)N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	ZINC22_124333913	336.449	RTNSSHPAOKUEAS-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065338
CCOC1=C(C)N=c2c(=C(C1)C)c(N)c(s2)C(=O)OC(C)(C)C	PC-id_143185647	336.449	AKZIUYFEYKQCEW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-065339
CCOC(=O)c1c(NC(=O)[C@H]2CCCN2)sc2c1CCCCC2	SCHEMBL12075071,PC-id_57971091	336.449	HQYGCEBZGGHUMZ-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-065340
CCOC(=O)N1CCc2c(CC1)cc(s2)C(=O)NC1CCCC1	PC-id_68471409,SCHEMBL2998158	336.449	URGVBIIIGZMWBG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-065341
CCOC(=O)N1CCN(CC1)C(=O)c1csc2c1CCCCC2	CHEMBL1498668,PC-id_3242743,ChEMBL-DNDi_CHEMBL1498668	336.449	SXNPKGUJSZQYQQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065342
CC(=O)NCC1OCCN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_111031054	336.449	HZBKFXBOMPGVIO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065343
COC(=O)[C@@H]1CCCN1C(=O)c1cc2c(s1)CCN(CC2C)C	SCHEMBL13473825,PC-id_70915501	336.449	DTVMVFGVPLAAIP-YUZLPWPTSA-N	00000010100000000100000000000010000000000000000000000000	31-01-065344
COC(=O)[C@@H]1C[C@@H](CN1C)NC(=O)c1cc2CCCCCc2s1	MCULE-6835101271,PC-id_50958185,ZINC22_65393768,EMOLS-id_32387204	336.449	JTNHZNLOBYIFCY-STQMWFEESA-N	00000010100000000100000000000010000000000000000000000000	31-01-065345
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OC(=O)/C=C/C(=O)Nc1nc2CCCCCCCCCCc2s1	ZINC22_72334034,PC-id_56923538,EMOLS-id_46013043	336.449	QKHVFRDVGBPZQX-VAWYXSNFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065352
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s1c2c(CCCCC2)cc1C(=O)NC1CC(N(C1)C)C(=O)OC	PC-id_75590090	336.449	JTNHZNLOBYIFCY-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-065354
s1c2c(CCCCC2)c(c1NC(=O)C1NCCC1)C(=O)OCC	PC-id_76677870	336.449	HQYGCEBZGGHUMZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-065355
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)CC)C(=O)N	PC-id_60001361	336.449	ATDTUAGGOVMHPL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065356
s1c2c(CCCCC2)c(c1NC(=O)CN1CCCC1)C(=O)OC	PC-id_8901996	336.449	XQDWBCMJLHCLEN-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-065357
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCOCC1	PC-id_51192708	336.449	PZDVNQHLSMFTQW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-065358
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c1(NC(=O)C2CC2c2ccccc2)sc2c(CCCCC2)c1C#N	EMOLS-id_4016590,PC-id_4560188,TIMTEC429148,MCULE-2215278018	336.451	RMONXVYIYWHKFM-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-065360
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COc1ccc(cc1Cl)NC(=O)C1CCCCc2n1c(=O)[nH]n2	EMOLS-id_207869223,MCULE-1182925587	336.773	NAVWPJJJUZKQEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065544
COc1ccc(Cl)cc1C(=O)NC1CCc2n[nH]c(=O)n2CC1	EMOLS-id_50586155,PC-id_91910800,MCULE-5906434036	336.773	QFTXOLINLVYUSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065545
n1c(C(CO)O)cc2CN(CCCn12)C(=O)c1ccc(cn1)Cl	EMOLS-id_50537481,MCULE-1269099883,PC-id_90650515	336.773	HMLNITMLWNTVBG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065546
O=C(c1ccc(Cl)cn1)N1CCCn2nc([C@H](O)CO)cc2C1	PC-id_100059026,ZINC22_220458785	336.773	HMLNITMLWNTVBG-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065547
O=C(c1ccc(Cl)cn1)N1CCCn2nc([C@@H](O)CO)cc2C1	ZINC22_220458719,PC-id_100059024	336.773	HMLNITMLWNTVBG-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065548
CC(C(=O)N1CCc2nc(cn2CC1)C(=O)N)n1cc(Cl)cn1	EMOLS-id_331148294	336.777	CLLISDKNAKKERU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065549
C[C@H](C(=O)N1CCc2nc(C(=O)N)cn2CC1)n1cc(Cl)cn1	ZINC22_1875242808	336.777	CLLISDKNAKKERU-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065550
C[C@@H](C(=O)N1CCc2nc(C(=O)N)cn2CC1)n1cc(Cl)cn1	ZINC22_1875242809	336.777	CLLISDKNAKKERU-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-065551
CC1CN(CC(=O)Nc2ccc(cc2Cl)F)Cc2c(C1)[nH]nc2	EMOLS-id_319853951,MCULE-3593419679	336.792	MTCPKEKHYIZBCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065552
CC1CN(CC(=O)Nc2cc(Cl)ccc2F)Cc2c(C1)[nH]nc2	MCULE-5028474026,EMOLS-id_320125138	336.792	CJGYMIJWWJZVRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065553
Clc1c(CC(=O)NCc2n3CCCCCc3nn2)c(F)ccc1	PC-id_51266228	336.792	MMBMGACSKDBFNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065554
Clc1cc(C(=O)NCCc2n3CCCCCc3nn2)c(F)cc1	PC-id_51307496	336.792	RWJUDRRVABBSTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065555
Clc1c(C(=O)NCCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_52181428	336.792	VEAAUIRZNKKFCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065556
Clc1c(C(=O)NCCc2n3CCCCCc3nn2)c(F)ccc1	PC-id_51307428	336.792	YCNAHCIXXKBIIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065557
c1(sc2c(CCCCC2)n1)NC(=O)c1cc(Cl)ccc1OC	MCULE-5278156186,PC-id_17528676,EMOLS-id_334605939	336.836	HJUFCBVLUWTDHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065579
Fc1ccc(CC(=O)NCc2cc3CNCCCn3n2)c(Cl)c1	EMOLS-id_44441589,MCULE-2203986923,PC-id_70756230,ZINC22_82126226	336.792	ASDNVLZRXVCYKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065558
Fc1ccc(NC(=O)NCc2n[nH]c3CCCCCc23)c(Cl)c1	PC-id_118765140,MCULE-9737988777,ZINC22_299767553,EMOLS-id_68879227	336.792	HWCQOPVKVGBDCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065559
O=C(Cc1cccc(c1F)Cl)NCc1nnc2n1CCCCC2	EMOLS-id_318635622	336.792	DQZWRYQBIMMIKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065560
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(C)c(cc1Cl)F	EMOLS-id_101857012	336.792	LXTOJJDTCLNSJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065561
O=C(N1CCCc2c(C1)cnn2C)NCc1ccc(c(c1)Cl)F	MCULE-6041329694,EMOLS-id_101715566	336.792	YGCLLMMHSFMSRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065562
O=C(N1CCCc2c(C1)cnn2C)NCc1c(F)cccc1Cl	MCULE-6569253151,EMOLS-id_101719917	336.792	TVZGEBLQLFTOKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065563
Clc1cc(ccc1C(=O)N1CCCCc2c1ccs2)[N+](=O)[O-]	SCHEMBL5236617,PC-id_19699073	336.793	PPVJYUXHPIYRJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065564
ClC1CCCN(c2c1scc2)C(=O)c1ccc([N+](=O)[O-])cc1	PC-id_70060326,SCHEMBL7343106	336.793	UOCRIEFZGHGYET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065565
Clc1sc2c(c1)N(CCCC2)C(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_19699058,SCHEMBL5272194	336.793	LDFIXJOJLQVVSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065566
c12C(=O)NCCCc1nc(NC(=O)Nc1ccccc1Cl)s2	MCULE-8216566164,PC-id_72720035,EMOLS-id_48619078,ZINC22_96124416	336.797	OINFWQKEDULRKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065567
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Nc1cc(ccc1)Cl	PC-id_90625532	336.797	INMWOFDJBNVBDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065568
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Nc1ccc(cc1)Cl	PC-id_90625533	336.797	AJFCJMKSTRNTAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065569
Cn1ncc2c1CCCN(C(=O)Nc1nc(Cl)c(C#N)s1)C2	MCULE-5093099620,EMOLS-id_177323828,ZINC22_585119500	336.8	JDBNJEMQPGOHDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065570
ClCCNC(=O)NCCn1c2-c(nc1=O)cc(C(C)C)ccc2	SCHEMBL11697708,PC-id_21483618	336.817	OBHNZRSKRBREEK-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-065571
COc1cc(Cl)c(cc1NCc1nnc2n1CCCCC2)OC	EMOLS-id_318249484	336.817	HDISNEWRRDWUHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065572
COc1cc(CN(C)Cc2nnc3n2CCOCC3)ccc1Cl	ZINC22_1615551218,EMOLS-id_320327626,MCULE-4067309859	336.817	KYRMBUKETCEZAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065573
c1(CN2CCn3c(CC2)nc(C(=O)N)c3)c(CC)nn(C)c1Cl	ZINC22_1940196883,EMOLS-id_336523710,MCULE-2083704945	336.82	BBEMTGFTNNVREM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065574
CN(C)CC1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn2C1	EMOLS-id_50374089	336.835	SCHCZPQORHXEOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065575
CN(C)C[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn2C1	ZINC22_248137465	336.835	SCHCZPQORHXEOR-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065576
CN(C)C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn2C1	ZINC22_248137466	336.835	SCHCZPQORHXEOR-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065577
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCCCC2)n1	EMOLS-id_323471148,MCULE-2312255769	336.836	QYGOWAOHRDVDTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065578
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc(Cl)c(cc1C)O	EMOLS-id_319392230	336.836	BTSWJXLKYMVOGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065580
Clc1cc(OC)c(C(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_56149505	336.836	VFFLXICWKGMPPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065581
Clc1cc(OCC(=O)Nc2sc3CCCCCc3n2)ccc1	PC-id_43041018	336.836	IEEKBVRHLLRLJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065582
Clc1c(OC2CCN(Cc3sccc23)C)ccc(c1)C(=O)N	PC-id_68410136	336.836	XBLHSCKSOAGOIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065583
Clc1c(OC2CN(CCc3c2scc3)C)ccc(c1)C(=O)N	SCHEMBL2873210,PC-id_68423621	336.836	RFEADZOHHIQKHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065584
Clc1c(OC2CN(CCc3sccc23)C)ccc(c1)C(=O)N	PC-id_68411099	336.836	DTJJSRSFLNRDLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065585
COc1cc(Cl)cc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318934919	336.836	OARWWVXGTMPXND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065586
O=C(N1CCCCc2c1sc(n2)C)Cc1ccc(c(c1)Cl)O	EMOLS-id_318819226	336.836	GPLJCMZFZPTYRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065587
CCc1ncc(c(n1)C(=O)N1CCCCc2c1sc(n2)C)Cl	MCULE-4323270136,EMOLS-id_319880952	336.84	NQKBTHFTKHTLQO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-065588
Clc1ccc(NC(=O)CSc2nn3CCCCCc3n2)cc1	CoCoCo_5899999,CoCoCo_5899998,PC-id_23995625,SPECS-id_AT-225/NB75811	336.84	KRPAIVRGWUAQLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065589
Clc1ccc(NC(=O)CSc2nnc3CCCCCn23)cc1	MCULE-7233584293,CoCoCo_6268222,PC-id_7877498,ZINC22_6098296,EMOLS-id_9817961	336.84	NQVPXVLWMLVJER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065590
Clc1cc(NC(=O)CSc2n3CCCCCc3nn2)ccc1	PC-id_7877460	336.84	LOWYZDXOLGEJIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065591
Clc1sc(/C=C/C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24676728	336.84	IYBZROSMLULNGQ-SOFGYWHQSA-N	00000000100100000101000000000010000000000000000000000000	31-01-065592
Clc1sc(C=CC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_74311146	336.84	IYBZROSMLULNGQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-065593
Clc1ccc(cc1)N=Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C	CK2073637	336.858	MOAOZIQURNTUQV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-065594
Clc1ccc(/N=N/c2c3-c(cc(C(C)C)ccc3C)c(c2)C)cc1	PC-id_6710849	336.858	MOAOZIQURNTUQV-WCWDXBQESA-N	00000010100000110110000000000010000000000000000000000000	31-01-065595
CC(C)c1nn(C)c(Cl)c1CNCc1nnc2n1CCCCC2	MCULE-1660112834,PC-id_45913788,ZINC22_40153207	336.863	ZHJPJSAHMWKDBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065596
CN(Cc1ccc(Cl)cc1)Cn1nc2n(c1=S)CCCCC2	EMOLS-id_29564342,CoCoCo_3448920,PC-id_25702533,ZINC22_13073988,CoCoCo_3448921,MCULE-1082389443	336.883	CKVQIGDVOLQICI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065597
BrC1(Br)C(=O)N(c2n(N=C1C)cnn2)C	PC-id_12554234	336.971	QYNFRNZHBIAWRU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-065598
BrC1C(=O)N(c2n(N=C1C)c(Br)nn2)C	PC-id_12554244	336.971	VTEHOJMGIPUXER-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-065599
C1CN(CCC2=C1N=C(S2)N)CC3=CC(=CC=C3)Br	PC-id_163670378	337.025	JCADVWLAEVQLCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065600
C1CN(CCC2=C1N=C(S2)N)CC3=CC=CC=C3Br	PC-id_163844162	337.025	UCAHJUWBZIFTIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065601
C1CN(CCC2=C1N=C(S2)N)CC3=CC=C(C=C3)Br	PC-id_164076423	337.025	BULYXIDRITXFPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065602
C1CC2=C(CN(C1)C(=O)[C@H](CC3=C(C=CC=C3Cl)F)O)C=CO2	PC-id_164639012,ZINC22_356571008	337.088	WNNRPDKBHHFAFP-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065603
CCOC1=CC=CC=C1OCC2=NN=C3N2CCS(=O)(=O)CC3	PC-id_154746384,EMOLS-id_317339651,MCULE-6737436704	337.11	SINSHSJJFBPBDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065604
B(C1=C2C(=CC(C=C1)(C)N)SC(=N2)NC(=O)OC(C)(C)C)(O)O	PC-id_148530566	337.127	MQEXCXREOKXXRV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-065605
P(PP)(P)n1nnc2c1C(=O)N(CCC)C(=O)NC2	PC-id_23398285	337.132	PSZQXKNTSXVGJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065606
P(PP)(P)n1nnc2NC(=O)CN(CCC)C(=O)c12	PC-id_23398336	337.132	BSTRZBCFPCJVJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065607
Cn1nnc2c1CCCCCC2(F)C(=O)I	SCHEMBL18653308	337.133	SBQGWNHORWZMHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065608
Cn1nnc2c1C(F)(CCCCC2)C(=O)I	SCHEMBL19231520	337.133	ZCCXKSHCHFOCNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065609
C1CN(CC2=CC(=CN2C1)C(=O)N)CC3=CC=C(C=C3)C(F)(F)F	PC-id_147670454	337.14	GNDBWCSLZVHYNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065610
CCC(CC)(CC(=O)NC1=CC2=C(S1)CCCCCC2)C(=O)O	PC-id_164900192	337.171	MJADOOBADVOJNT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065611
Brc1ccc(nc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102160384	337.175	JYFZFYMHEYYLMM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065612
Brc1cncc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102170042	337.175	JLLPNAPSODCLLP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065613
CC(C)C(C(=O)OCCOCn1cnc2c1N=C(CC=C2O)N)N	PC-id_163803265	337.175	NGUPNWUGKQBJJA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-065614
P(PP)(P)n1nnc2NCCN(CCCC)C(=O)c12	PC-id_20872178	337.175	XFMMVDAKJYFTOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065615
CC(=O)CCC1=NN2CCCN(CC2=C1)CC3=CC4=C(C=C3)OC=C4	PC-id_164999580	337.179	IAYBWPFJWBUDSV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065616
Brc1c2-c(c(c1)C=O)ccccc2/C=C/c1ccccc1	PC-id_11002221	337.21	DEQMIURZMVRCBE-ZHACJKMWSA-N	00000010100000110110000000000010000000000000000000000000	31-01-065617
Brc1c2-c(c(c1)C=O)ccccc2C=Cc1ccccc1	PC-id_85362413	337.21	DEQMIURZMVRCBE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-065618
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(cn1C)Br	EMOLS-id_319589827	337.215	CFYGLWTWSOZWRI-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-065619
Brc1cc(Cn2cc3C(N)CCCCc3c2)ccc1F	PC-id_83209132	337.23	CSRDLBQKUINZML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065620
Brc1cc(Cn2cc3C(N)CCCCc3c2)cc(F)c1	PC-id_83207925	337.23	TVTDRLYLTSTXME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065621
Brc1cc(Cn2cc3C(N)CCCCc3c2)c(F)cc1	PC-id_83208413	337.23	BNDQRVDPODOVLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065622
Brc1cc(F)c(Cn2cc3C(N)CCCCc3c2)cc1	PC-id_83208025	337.23	JOSDDSDTCFPJGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065623
Brc1c(Cn2cc3C(N)CCCCc3c2)cccc1F	PC-id_83208031	337.23	VAJGGXIJHIZUOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065624
Brc1c(Cn2cc3C(N)CCCCc3c2)ccc(F)c1	PC-id_83208314	337.23	IMUXQEQDMPHQCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065625
O=C(c1ncccc1Br)N1CCCc2sccc2C1	ZINC22_252510556,EMOLS-id_73042811,MCULE-2873423453,PC-id_121524812	337.235	ZNQCZARADHBTFO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-065626
BrCS(=O)(=O)NC(c1n2CCCCCc2nn1)C	PC-id_83084894,EMOLS-id_315810383	337.237	IYFPRGKZVCKXBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065627
Brc1c(n(nc1C)C)Cn1cc2C(N)CCCCc2c1	PC-id_83208880	337.258	HKYMSEYPQUVUBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065628
Brc1ccc(C(O)c2sc3c(CCCCC3)c2)cc1	PC-id_55197514	337.275	SYAZXMUNNAZHJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065629
O=C(c1ccc2c(c1)OC(O2)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102176408	337.282	ZCROETFHJJVXDA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-065630
COc1noc2=CCC=C(C=c12)Cc1ccc(cc1)OC(F)(F)F	PC-id_144869517	337.293	USOWPROVHDVFNO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-065631
c12CN(CCCn1nc(CCC(=O)O)c2)CCC(F)(F)C(F)F	PC-id_56909220,MCULE-7791869664,EMOLS-id_43157266,ZINC22_72470501	337.313	YGZRGYACISGWCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065632
COc1cccc(C(=O)N2CCCc3occc3C2)c1OC(F)F	ZINC22_289852954,MCULE-6241961904,EMOLS-id_177237837	337.318	VFKVFMNNNWPJJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065633
COC(=O)C1CCc2n(CC1)c(nn2)C(Oc1ccccc1)(F)F	PC-id_136557129,MCULE-8444963407,EMOLS-id_316949582	337.321	CVZXXRNNVHYPOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065634
COC(=O)[C@@H]1CCc2nnc(C(F)(F)Oc3ccccc3)n2CC1	ZINC22_601043546	337.321	CVZXXRNNVHYPOY-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065635
COC(=O)[C@H]1CCc2nnc(C(F)(F)Oc3ccccc3)n2CC1	ZINC22_601043547	337.321	CVZXXRNNVHYPOY-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-065636
COc1cc(F)c(cc1F)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318790783	337.325	MTEHBOVSHBABPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065637
COc1cc(F)c(cc1NC(=O)N1CCCn2c(C1)cc(n2)N)F	EMOLS-id_319997629,MCULE-5867107710	337.325	LVSRRQAMOAUUQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065638
COc1c(F)cc(cc1F)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319572513	337.325	DEVWMJYWAOQRGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065639
FC(Oc1cccc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)F	MCULE-2741724008,EMOLS-id_319980037	337.325	AIVZRDAKVOZWPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065640
C1CN(CCC1CC1C=NCCn2cc(nc2O1)[N+](=O)[O-])C(=O)O	PC-id_89580056	337.331	LPEUMRQFVGYXSN-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-065641
C1CN(CCC1CC1CN=CCOc2nc(cn12)[N+](=O)[O-])C(=O)O	PC-id_89580054,SCHEMBL14965618	337.331	TWMNUUYLJCFPOJ-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-065642
c1(C(=O)NCc2cccc(c2)C(F)(F)F)c2CCCCCc2[nH]n1	MCULE-3544975317,EMOLS-id_335060384	337.34	AETJRDWZIZBWGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065643
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1)C(F)(F)F)C	MCULE-8570935672,EMOLS-id_320120176	337.34	TYGGYUQBPLTCFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065644
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cccc(c1)C(F)(F)F	EMOLS-id_319492852	337.34	FNORGAPLKPKPON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065645
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1)C(F)(F)F	EMOLS-id_319713015	337.34	CCPXLKUQIGPJDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065646
FC(F)(F)c1cc(NC(=O)Cn2nc3CCCCCc3c2)ccc1	PC-id_20892425,CoCoCo_2192251	337.34	ABIPSGNHDJAEQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065647
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1ccccc1	PC-id_19523660	337.34	HVHOLEZDGIMTIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065648
c12C(=O)NCCCc1nc(NC(=O)Cc1ccc(F)cc1F)s2	ZINC22_211131318,PC-id_72720028,EMOLS-id_50139267,MCULE-2818437054	337.344	XHKWMYHBAUQDRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065649
O(c1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1)CC(=O)[O-]	PC-id_78650313	337.353	RBPQJLJMYOOAFY-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-065650
O(c1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1)CC(=O)[O-]	PC-id_8275305	337.353	RBPQJLJMYOOAFY-GXDHUFHOSA-M	00000000100000110101000000000010000000000000000000000000	31-01-065651
O(c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1)CC(=O)[O-]	PC-id_78565665	337.353	KHLTZVOOKWXOTC-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-065652
O(c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)CC(=O)[O-]	PC-id_7911816	337.353	KHLTZVOOKWXOTC-GXDHUFHOSA-M	00000000100000110101000000000010000000000000000000000000	31-01-065653
CC(C)(C)OC(=O)N1CCSc2c(C1)c(nn2C)C(F)(F)F	EMOLS-id_316182643,PC-id_136589829	337.361	ANRXOYAXXMNRJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065654
COc1cc(ccc1OC(F)F)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_316974718,MCULE-7125273305	337.364	MGDMKUKAUNFHBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065655
COc1cc(CN2Cc3c[nH]nc3C[C@@H](C)C2)ccc1OC(F)F	ZINC22_952994120	337.364	MGDMKUKAUNFHBX-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065656
COc1cc(CN2Cc3c[nH]nc3C[C@H](C)C2)ccc1OC(F)F	ZINC22_952994122	337.364	MGDMKUKAUNFHBX-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-065657
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)nn(c1C)CC(F)F	EMOLS-id_319792711	337.368	BZPBSRKCRIQILU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065658
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c(C)nn(c1C)C(F)F	EMOLS-id_319558270	337.368	YPEIOCUFVKYJHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065659
c12c(=Nc3ccc4c(OCO4)c3)cccc(OCC)c1c(oc2C)C	MCULE-3484364911,PC-id_907471,CNP0380097	337.369	APMOJZJIKAOQGQ-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-065660
Cc1ccc(F)cc1NS(=O)(=O)c1cc2C(=O)NCCCn2c1	MCULE-9828039476,PC-id_53182809,EMOLS-id_33086348	337.369	PCSUHFKNEFADCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065661
Cc1ccc(F)c(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c1	PC-id_53182821,MCULE-1297958841,EMOLS-id_33086392	337.369	TZIXMODUJVKGFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065662
Cc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)cc1F	EMOLS-id_33086300,PC-id_53182795,MCULE-5844047814	337.369	WUEJWQITOHFOQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065663
Cc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c(F)c1	EMOLS-id_33086390,MCULE-5275388217,PC-id_53182820	337.369	JFNFNIYUWSVXEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065664
Cc1cc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)ccc1F	EMOLS-id_33086386,PC-id_53182819,MCULE-6698885320	337.369	LWUDZXSMAIHMQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065665
CCOc1ccc/c(=Nc2ccc3c(c2)OCO3)/c2c1c(C)oc2C	ZINC22_5953738,STOCK1N-39534,EMOLS-id_26413289	337.369	APMOJZJIKAOQGQ-RCCKNPSSSA-N	00000010100000100111000000001010000000000000000000000000	31-01-065666
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(F)cc1	PC-id_53182867,MCULE-9252222438,EMOLS-id_48455505	337.369	FGXZPHNZTAQDRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065667
Fc1cccc(c1)CNS(=O)(=O)c1cn2c(c1)C(=O)NCCC2	MCULE-9004665827,EMOLS-id_33086362,PC-id_53182815	337.369	CBXWPWQGSMSXJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065668
Fc1ccc(cc1)CNS(=O)(=O)c1cn2c(c1)C(=O)NCCC2	PC-id_53182808	337.369	AXIYWZCXYAJPIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065669
O=C1NCCCn2c1cc(c2)S(=O)(=O)NCc1ccccc1F	PC-id_53182814	337.369	VUINAZBVIGLGCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065670
O=c1oc2-c(c1[S+](c1c(=O)oc3-c1ccccc3)C)ccccc2	PC-id_102393741	337.369	ZPWRLBJJVWKKCF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-065671
CC(=O)NCCN(C(=O)c1noc2c1CCCCC2)C(C(=O)O)C	MCULE-2058252872,EMOLS-id_72507288,PC-id_121898748	337.371	ODZOUFGKOKTWJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065672
COC(=O)/C(=C/C(=O)OC)/Sc1nc2c(s1)c(=O)cccc2	PC-id_102070247	337.371	DDOLAMUQLHITML-YFHOEESVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-065673
COC(=O)C(NC(=O)C)CC(=C)CC1CCCCc2n1c(=O)on2	SCHEMBL6803280,PC-id_23500560	337.371	BAVLZWVIHIUCLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065674
c1(ccc(c2cccc(OC)c2)o1)C(=O)N1CCCn2cncc2C1	PC-id_56914205,EMOLS-id_43171876,MCULE-4374180120,ZINC22_72168519	337.372	BBRSELLMBHADOJ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-065675
Cc1ccoc1C(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575405481	337.372	IOECJKJRIPBWQT-INIZCTEOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065676
Cc1ccoc1C(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575405492	337.372	IOECJKJRIPBWQT-MRXNPFEDSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065677
Cc1ccoc1C(=O)N1Cc2cccn2C[C@H](Oc2cccnc2)C1	ZINC22_253476630	337.372	ANZVBDKXNKEJJS-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065678
Cc1ccoc1C(=O)N1Cc2cccn2C[C@@H](Oc2cccnc2)C1	ZINC22_253476631	337.372	ANZVBDKXNKEJJS-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065679
Cc1ccoc1C(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751953	337.372	IOECJKJRIPBWQT-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065680
Cc1ccoc1C(=O)N1CC(Cn2cccc2C1)Oc1cccnc1	EMOLS-id_50020374	337.372	ANZVBDKXNKEJJS-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065681
Cc1coc(n1)c1cccc(c1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101036443	337.372	PABBFAZUWAQBLQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065682
CCOc1cccc(=O)c2c1c(C)n(c2C)NC(=O)c1ccncc1	ZINC22_488143,CNP0372178,MCULE-3324895714,EMOLS-id_33574796,STOCK1N-32952,PC-id_906410,EMOLS-id_4799295	337.372	FUJUSWRRBGCWTK-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-065683
O=C(c1noc2c1CCCCC2)NCc1ccc(cc1)c1ocnc1	EMOLS-id_319295669	337.372	BVSFHUVMXSJLAR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065684
C1CCc2nnc(n2CC1)C(=O)NC1CCOCC1OCC(=O)N	PC-id_91785945	337.374	RXKGYIPNOPISSA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065685
c1(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)N)nnc2CCCCCn12	MCULE-8181578309,ZINC22_222708195,EMOLS-id_55676973	337.374	RXKGYIPNOPISSA-GHMZBOCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065686
CCOC(=O)CNC(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-3363363704,EMOLS-id_239629143	337.374	BMPRYLUIEUVDJO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-065687
NC(=O)CO[C@H]1COCC[C@@H]1NC(=O)c1nnc2n1CCCCC2	ZINC22_1565525563	337.374	RXKGYIPNOPISSA-QWRGUYRKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065688
c12CN(CCCn1nc(C#N)c2)C(=O)CC(=O)Nc1ccccc1C	PC-id_50965489,ZINC22_65407147,MCULE-2222986213,EMOLS-id_32401010	337.376	WDYGPJBGBKPRGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065689
c12CN(CCCn1nc(C#N)c2)C(=O)N[C@H]1[C@H](O)Cc2ccccc12	ZINC22_534636595,MCULE-2727562943,PC-id_122562662,EMOLS-id_177419219	337.376	XYZUXTSJABPDHM-IAGOWNOFSA-N	00000010100000100101000000001010000000000000000000000000	31-01-065690
c1(cc2CCCc2nc1OC)C(=O)N1CCCn2nc(C#N)cc2C1	EMOLS-id_32386304,PC-id_50957702,ZINC22_65388043,MCULE-2869031382	337.376	RFVNXUVWNIZHSS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-065691
C1Cc2nnnn2CCC1C(=O)NCc1ccc(o1)c1ccccc1	EMOLS-id_316881586,PC-id_136549869,MCULE-4315467008	337.376	VSUUGMTXPNLBMK-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-065692
c1(cnn(c2ccccc2OC)c1)C(=O)N1CCCn2cncc2C1	MCULE-6661180928,EMOLS-id_44746514,PC-id_70783114,ZINC22_92038730	337.376	XPCUONNZDBNJCW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065693
c1(C(=O)NCc2coc(c3ccccc3)n2)cn2c(CCNCC2)n1	ZINC22_1857725404,MCULE-6857523555,EMOLS-id_330445603	337.376	VDMOEVWSXHOKFG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065694
c1(C(=O)NCc2coc(c3ccccc3)n2)nnc2CCCCCn12	ZINC22_828219170,MCULE-2531619892,EMOLS-id_232849608	337.376	NZGVQKHKRSPQKU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065695
c1(C(=O)NCc2nnc3CCCCCn23)cc(on1)c1ccccc1	EMOLS-id_43603369,PC-id_70783937,ZINC22_53282623,MCULE-2251915225	337.376	SZBUTWZUVVKIOJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065696
CC1(C)Cc2n[nH]cc2CN(C(=O)c2nc(c3ccccc3)no2)C1	PC-id_146144599,ZINC22_1875282944	337.376	YWZZPRDLQIREOB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065697
Cc1cc(C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)no1	EMOLS-id_337775636,ZINC22_2356139081	337.376	MNVAYEWKMIWCSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065698
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)c1nnc(o1)C	EMOLS-id_318842382	337.376	XLLQVFMLQRMHJB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065699
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1c1nnc(o1)C	EMOLS-id_318938609	337.376	MFQRJDNKOFGRAT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065700
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1c1onc(n1)C	EMOLS-id_319113206	337.376	OVWPKSRCRLPYCX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065701
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)c1onc(n1)C	EMOLS-id_319807851	337.376	LIDUMBZVJUCMSU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065702
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)n1cc[nH]c1=O	EMOLS-id_318917927	337.376	QVVWPADAYNTLQK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065703
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)n1cc[nH]c1=O	EMOLS-id_319503167	337.376	OZZDNAVSVCXFLF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065704
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(ccc1O)n1cncc1	EMOLS-id_319208422	337.376	OKJQBRDTQSFZJL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065705
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)onc1c1ccccn1	EMOLS-id_318985540	337.376	DIUNLEQBIMAOQT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065706
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)onc1c1cccnc1	EMOLS-id_320156426,MCULE-9625569200	337.376	BNTBQHJFEVKPCN-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065707
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)onc1c1ccncc1	EMOLS-id_320098748,MCULE-4625217379	337.376	LLQPWOPITFPUAI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065708
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nn(cc1O)c1ccccc1	EMOLS-id_319653181	337.376	KNKMAQQGYIYYLF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065709
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1n[nH]c(c1)c1ccccc1O	EMOLS-id_319649812	337.376	KRDGJASUZXNMTM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065710
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1nnc(o1)c1ccccc1	EMOLS-id_319013294	337.376	HDECRKQYSWXVCU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065711
Cc1nccn1c1ccc(NC(=O)c2noc3c2CCCCC3)cn1	EMOLS-id_53781213,ZINC22_128518316,MCULE-8329645324,PC-id_99623121	337.376	QXWGXMROGQPLJM-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065712
Cc1nc[nH]c1C(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575406689	337.376	ZRKPJOKISQIUHZ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065713
Cc1nc[nH]c1C(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575406707	337.376	ZRKPJOKISQIUHZ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065714
Cc1nc[nH]c1C(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55750983	337.376	ZRKPJOKISQIUHZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065715
Cc1noc(c1)C(=O)N1CCc2n(CC1)c(nn2)Cc1ccccc1	PC-id_77080422,MCULE-9099882541,EMOLS-id_49869632	337.376	ANQPFJHRIRWWFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065716
Cn1cnc(c1)C(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751447	337.376	VQTOCQGRBCYPJJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065717
Cn1cnc(C(=O)N2Cc3cccn3C[C@H](Oc3ccccn3)C2)c1	ZINC22_575406037	337.376	VQTOCQGRBCYPJJ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065718
Cn1cnc(C(=O)N2Cc3cccn3C[C@@H](Oc3ccccn3)C2)c1	ZINC22_575406040	337.376	VQTOCQGRBCYPJJ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065719
Cn1cnc(n1)c1ccc(cc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101041966	337.376	ZOGPQROPEYFTHF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065720
n1c(CCC(=O)N2CCCn3cncc3C2)onc1c1ccccc1	ZINC22_77287668,EMOLS-id_43555761,MCULE-8165466523,PC-id_70707090	337.376	PGGHSFAHUIEIAU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065721
N#Cc1ccc(O[C@H]2CN(C(=O)CC3CC3)Cc3ccnn3C2)nc1	ZINC22_247705988	337.376	DTHWHAUBIUWMHZ-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-065722
N#Cc1ccc(O[C@@H]2CN(C(=O)CC3CC3)Cc3ccnn3C2)nc1	ZINC22_247705989	337.376	DTHWHAUBIUWMHZ-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-065723
O=C(c1ccc[nH]1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	PC-id_97462424,ZINC22_96187976	337.376	RABNSOPXUXAKLT-CQSZACIVSA-N	00000000110000101101000000000010000000000000000000000000	31-01-065724
O=C(c1ccc[nH]1)N1Cc2nccn2C[C@H](COc2cccnc2)C1	ZINC22_96187973,PC-id_97462421	337.376	RABNSOPXUXAKLT-AWEZNQCLSA-N	00000000110000101101000000000010000000000000000000000000	31-01-065725
O=C(c1ccco1)N1CCc2ncc(CNc3ccccn3)n2CC1	EMOLS-id_44329153,PC-id_97467258,ZINC22_96197115	337.376	SODLHDMFAAPYBM-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065726
O=C(C1CCn2c(CC1)nnc2)NCc1ncc(o1)c1ccccc1	EMOLS-id_319852814	337.376	LGDMUCMSDJZDPE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065727
O=C(C1CCn2c(CC1)nnc2)NCc1onc(c1)c1ccccc1	MCULE-3682028613,EMOLS-id_319862919	337.376	ONQWWOCHWGZPTP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065728
O=C(c1ccoc1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_247891324	337.376	YTDMFVZMEKURSC-AWEZNQCLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065729
O=C(c1ccoc1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_247891327	337.376	YTDMFVZMEKURSC-CQSZACIVSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065730
O=C(c1ccoc1)N1CCc2ncc(CNc3ccccn3)n2CC1	ZINC22_96197116,EMOLS-id_44329155,PC-id_97467259	337.376	CFNBPPPAMYVZEK-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065731
O=C(c1noc2c1CCCCC2)NCc1ccc(cc1)c1nc[nH]n1	MCULE-7962051650,EMOLS-id_319894440	337.376	FXQDQTMPMXEVHE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065732
O=C(CC1CC1)N1CC(Cn2nccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50017778	337.376	DTHWHAUBIUWMHZ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-065733
O=C(Cn1c(=O)nc2-c1ccccc2)Nc1ccnn1C1CCCC1	EMOLS-id_319606298	337.376	RPPBZLNGSLECIP-UHFFFAOYSA-N	00000010100000000111100000000010000000000000000000000000	31-01-065734
O=C(N1CC(CNc2ccccn2)Cn2nccc2C1)c1ccoc1	EMOLS-id_50376745	337.376	YTDMFVZMEKURSC-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065735
O=C(N1CC(COc2cccnc2)Cn2ccnc2C1)c1ccc[nH]1	PC-id_118739327,EMOLS-id_44325989	337.376	RABNSOPXUXAKLT-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-065736
O=C(NCc1ccc(c2ccccc2)o1)[C@H]1CCc2nnnn2CC1	ZINC22_565071920	337.376	VSUUGMTXPNLBMK-AWEZNQCLSA-N	00000000101000110101100000000010000000000000000000000000	31-01-065737
O=C(NCc1ccc(c2ccccc2)o1)[C@@H]1CCc2nnnn2CC1	ZINC22_565071921	337.376	VSUUGMTXPNLBMK-CQSZACIVSA-N	00000000101000110101100000000010000000000000000000000000	31-01-065738
O=C(NCc1ccc(n2ccnc2)nc1)N1CCCc2occc2C1	EMOLS-id_316843241,PC-id_136543862,ZINC22_378114743,MCULE-1939298298	337.376	ROMQVBLHLCKKSC-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065739
O=C(OCc1ccc(n2ccnc2)nc1)c1n[nH]c2c1CCCCC2	PC-id_86819080,ZINC22_170608492,MCULE-8107878609,EMOLS-id_49977620	337.376	OGQXJCZMLPKHST-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065740
O=C(OCc1ccnc(n2ccnc2)c1)c1n[nH]c2c1CCCCC2	MCULE-9544735601,ZINC22_195579048,EMOLS-id_50358521,PC-id_91652113	337.376	FNYZTXXEAFNRCJ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065741
c12C(CCCCn1nnn2)C(=O)NCc1cccc(c1)n1cccn1	MCULE-6416059296,EMOLS-id_177465299	337.379	JAZSAYCAWGTAME-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065742
c12C(CCCCn1nnn2)C(=O)NCc1ccccc1n1cccn1	PC-id_118778811,EMOLS-id_68907871,MCULE-6097300001	337.379	HLORWKDUAGEEDZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065743
c12C(CCCCn1nnn2)C(=O)NCc1ccccc1n1ccnc1	MCULE-1252403472,EMOLS-id_232837219	337.379	YEWSSCICURTTGW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065744
c12C(CCCCn1nnn2)C(=O)NCc1cnn(c2ccccc2)c1	PC-id_118775067,EMOLS-id_68900160,MCULE-7984316419	337.379	GILXZAARLFXASH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065745
c1(c2ccccc2C(=O)NCc2c3CCCCCc3[nH]n2)[nH]nnn1	ZINC22_828184222,MCULE-2817778126,EMOLS-id_232840016	337.379	QARYSBHTUBXKAH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065746
c1(C(=O)Nc2ccc(cc2)c2nncn2C)cn2c(CCNCC2)n1	EMOLS-id_330432789,MCULE-1665338352,ZINC22_1857720719	337.379	GUSFWMGRRDIXBA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065747
c1(C(=O)Nc2cccc(c2)c2nnn(C)n2)c2CCCCCc2n[nH]1	ZINC22_96224111,PC-id_75357040,EMOLS-id_50400946,STOCK7S-45940,MCULE-1125372384,EMOLS-id_49246396	337.379	OVRULKBSMWVDCB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065748
c1(C(=O)NCc2cc3n(CCCNC3)n2)cn(nn1)c1ccccc1	PC-id_70732128,MCULE-5675883753,EMOLS-id_44433125,ZINC22_82107296	337.379	KNMKNYVTNFRMPH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065749
c1ncc(cn1)OCc1nnc2n1CCN(CC2)Cc1ccccn1	PC-id_97410149	337.379	SJTUMKFMTZSPLT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065750
Cc1ccc(cn1)C(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_46160715	337.379	NXZHKAVDCWTYNS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065751
Cc1ccc(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)cn1	PC-id_97389411,ZINC22_96067088	337.379	NXZHKAVDCWTYNS-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065752
Cc1ccc(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)cn1	PC-id_97389412,ZINC22_96067089	337.379	NXZHKAVDCWTYNS-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065753
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1)n1cnnn1	EMOLS-id_320070519,MCULE-4762215853	337.379	UCOMIZSTJGKXNL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065754
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1nnc(n1)c1ccccc1	EMOLS-id_320282776,MCULE-8212887514	337.379	MLDMXAXAUDBELN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065755
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1nnnc1c1ccccc1	EMOLS-id_319869010	337.379	UDTHAFPVUKAERB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065756
Cc1cncc(c1)C(=O)N1CCc2ncc(Cn3cncn3)n2CC1	ZINC22_96197000,PC-id_97467144,EMOLS-id_44328935	337.379	QLLHMMAVISPMHQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065757
Cc1cncc(c1)C(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_44326481	337.379	DXDJAQHMDDDXJH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065758
Cc1cncc(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)c1	PC-id_97463073,ZINC22_96188639	337.379	DXDJAQHMDDDXJH-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065759
Cc1cncc(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)c1	ZINC22_96188638,PC-id_97463072	337.379	DXDJAQHMDDDXJH-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065760
Cc1cnc(cn1)C(=O)N1CC(Cn2cccn2)Cn2ccnc2C1	EMOLS-id_46160679	337.379	SMEADPYENMGKRL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-065761
Cc1cnc(C(=O)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)cn1	PC-id_97389381,ZINC22_96067057	337.379	SMEADPYENMGKRL-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-065762
Cc1cnc(C(=O)N2Cc3nccn3C[C@H](Cn3cccn3)C2)cn1	ZINC22_96067056,PC-id_97389380	337.379	SMEADPYENMGKRL-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-065763
Cn1ncc2c1CCCN(C(=O)Nc1cnnn1c1ccccc1)C2	ZINC22_585140981,MCULE-7860344598,EMOLS-id_276240649	337.379	NMUAIHZJUMNFLJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065764
COc1ccc(c2nc(=N[C@@H]3CCc4nnnn4CC3)cc[nH]2)cc1	ZINC22_664028727	337.379	HLIHGUSQUAHTFS-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065765
COc1ccc(c2nc(=N[C@H]3CCc4nnnn4CC3)cc[nH]2)cc1	ZINC22_664028728	337.379	HLIHGUSQUAHTFS-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065766
COc1ccc(cc1)c1nccc(n1)NC1CCn2c(CC1)nnn2	EMOLS-id_320363375,MCULE-7968459080,PC-id_139020589	337.379	HLIHGUSQUAHTFS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065767
COc1cc(ccc1n1cnc(n1)C)Nc1nn2c(n1)CCC=CC2	SCHEMBL13285104,PC-id_70876416	337.379	QYVJOINCTWJHSI-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-065768
n12CCCNCc1cc(CNC(=O)c1ccccc1c1n[nH]cn1)n2	EMOLS-id_49178490,PC-id_72939882,MCULE-2903937735,ZINC22_96180616	337.379	WTFJKYHRZCDCCK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065769
n12CCCNCc1cc(CNC(=O)c1cccc(c1)c1n[nH]cn1)n2	MCULE-5882387475,EMOLS-id_49175126,ZINC22_96165997,PC-id_72930112	337.379	ILLWZNQICABFFL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065770
n12CCCNCc1cc(CNC(=O)c1ccc(cc1)n1cnnc1)n2	EMOLS-id_44451053,ZINC22_82161257,MCULE-4085292770,PC-id_70783587	337.379	JTKJAWLSGYVDJU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065771
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)c1cnn[nH]1	ZINC22_72126513,MCULE-2475498491,EMOLS-id_43064324,PC-id_56883822	337.379	AARHQGOTFASBDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065772
n1(c2ccc(cc2)C(=O)NCc2c3CCCCCc3[nH]n2)cnnn1	EMOLS-id_36572235,PC-id_56741727,ZINC22_67642152,MCULE-4666268456	337.379	LIQAELOHXJZNQV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065773
n1(cnnc1)c1cccc(n1)C(=O)NCc1c2CCCCCc2[nH]n1	MCULE-9686102803,EMOLS-id_222765367,ZINC22_670448645	337.379	DQULEINOQZKCLC-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065774
O=C(c1ccc[nH]1)N1CCCn2c(C1)c(CNc1cccnc1)nn2	PC-id_97405528	337.379	ULTJKMKMEKVRDB-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-065775
O=C(c1ccc[nH]1)N1CCCn2c(C1)c(CNc1ncccn1)nc2	PC-id_97405488	337.379	HNQFIUNVOCJPJK-UHFFFAOYSA-N	00000000110000100101000000000010000000000000000000000000	31-01-065776
O=C(C1CCn2c(CC1)nnc2)Nc1ccn(n1)Cc1ccncc1	MCULE-7553777376,EMOLS-id_320105207	337.379	PKNHPXDHIYEPGY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065777
O=C(C1CCn2c(CC1)nnc2)NCc1cccc(c1)n1ncnc1	EMOLS-id_320215469,MCULE-9200865191	337.379	DPVKILLOGQGFNK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065778
O=C(C1CCn2c(CC1)nnc2)NCc1nnn(c1)c1ccccc1	EMOLS-id_319718282	337.379	DIRBZVAIHRCQTP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065779
O=C(N1CCCn2c(C1)cnc2)CCn1nc(nn1)c1ccccc1	PC-id_56886200	337.379	WTKOGIJBEKLUTG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065780
O=C(Nc1ccn(Cc2ccncc2)n1)[C@H]1CCc2nncn2CC1	ZINC22_878567543	337.379	PKNHPXDHIYEPGY-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065781
O=C(Nc1ccn(Cc2ccncc2)n1)[C@@H]1CCc2nncn2CC1	ZINC22_878567545	337.379	PKNHPXDHIYEPGY-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065782
O=C(NCc1ccccc1n1cccn1)[C@H]1CCCCn2nnnc12	ZINC22_299779914	337.379	HLORWKDUAGEEDZ-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065783
O=C(NCc1ccccc1n1cccn1)[C@@H]1CCCCn2nnnc12	ZINC22_299779923	337.379	HLORWKDUAGEEDZ-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065784
O=C(NCc1ccccc1n1ccnc1)[C@H]1CCCCn2nnnc12	ZINC22_827731977	337.379	YEWSSCICURTTGW-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065785
O=C(NCc1ccccc1n1ccnc1)[C@@H]1CCCCn2nnnc12	ZINC22_827731978	337.379	YEWSSCICURTTGW-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065786
O=C(NCc1cccc(n2cccn2)c1)[C@H]1CCCCn2nnnc12	ZINC22_584898103	337.379	JAZSAYCAWGTAME-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065787
O=C(NCc1cccc(n2cccn2)c1)[C@@H]1CCCCn2nnnc12	ZINC22_584898104	337.379	JAZSAYCAWGTAME-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065788
O=C(NCc1cnn(c2ccccc2)c1)[C@H]1CCCCn2nnnc12	ZINC22_299782553	337.379	GILXZAARLFXASH-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065789
O=C(NCc1cnn(c2ccccc2)c1)[C@@H]1CCCCn2nnnc12	ZINC22_299782575	337.379	GILXZAARLFXASH-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065790
O=C(NCc1nn2CCCNCc2c1)c1ccc(cc1)c1[nH]ncn1	PC-id_72938607	337.379	PQXJQBWYYUIVLE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065791
O=C(NCc1nnc2n1CCCCC2)c1ccc(n2cccn2)nc1	EMOLS-id_30677262,PC-id_47020966,ZINC22_42688023,MCULE-1734090482	337.379	BYDJIUJDJHPRTG-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065792
O=C(NCc1nnc2n1CCCCC2)c1ccc(n2cncn2)cc1	ZINC22_58009256,MCULE-4907454442,PC-id_47019776,EMOLS-id_31380194	337.379	BJFLVTWDJVZQFY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065793
O=C(NCc1nnc2n1CCCCC2)c1cccnc1n1cccn1	ZINC22_96402295,PC-id_72028700,MCULE-5865389339,EMOLS-id_48989679	337.379	SWFICSLLQQDQIA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065794
O=C(NCc1nnc2n1CCCCC2)c1ccnc(n2ccnc2)c1	ZINC22_58063831,PC-id_51090007,MCULE-9788492187,EMOLS-id_48777800	337.379	OOVLGJCUUQIMBA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065795
O=C(NCc1nnc2n1CCCCC2)c1cnn(c2ccccc2)n1	EMOLS-id_30674032,ZINC22_48276544,PC-id_47014558,MCULE-8469192935	337.379	UESCZHABWBTGLP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065796
O=C(NCc1nnc2n1CCCCC2)c1nn[nH]c1c1ccccc1	PC-id_121533804,ZINC22_188950764,EMOLS-id_73012300,MCULE-3125800369	337.379	XQYMNRKULNSGCQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065797
O=C(Nc1ccccc1OC(F)F)c1cc2c(s1)CCCCC2	PC-id_7941510,MCULE-1964664479,ZINC22_6329789,EMOLS-id_43809232,CoCoCo_3207571	337.384	LPIPUMADTNZDTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065798
O=C(Nc1ccc(OC(F)F)cc1)c1cc2c(s1)CCCCC2	ZINC22_6329510,MCULE-5916256424,CoCoCo_3207366,EMOLS-id_11997983,PC-id_7941384	337.384	OZANFICIDYTYQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065799
Fc1cc(CNC(=O)Nc2nc3c(s2)CCCCC3)cc(c1)F	PC-id_112825110	337.387	SKWRWXNVVBBYLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065800
O=C(Nc1cc(F)ccc1F)Nc1sc2c(n1)CCCCCC2	CoCoCo_2552440,PC-id_20966656	337.387	PAPJXTGSXWHVIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065801
O=C(Nc1nc2c(s1)CCCCCC2)Nc1ccc(F)cc1F	EMOLS-id_16329916,CoCoCo_2552449,CHEMBL1478914,PC-id_16028954,MCULE-5187438291,ZINC22_8609755	337.387	FMHWPZSXWLJDAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065802
S(c1n2CCCCCc2nn1)C(C(=O)c1cc(F)c(F)cc1)C	PC-id_78559251	337.387	GRZUIQUFUNQXCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065803
S(c1n2CCCCCc2nn1)[C@H](C(=O)c1cc(F)c(F)cc1)C	PC-id_7877102	337.387	GRZUIQUFUNQXCN-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-065804
S(c1n2CCCCCc2nn1)[C@@H](C(=O)c1cc(F)c(F)cc1)C	PC-id_7877104	337.387	GRZUIQUFUNQXCN-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065805
CCOC(=O)C(C1CCN(C1)C(=O)c1cnc2n1CCCCC2)F	EMOLS-id_278436130	337.389	XPASJCNIANXEJO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065806
CCOC(=O)C(C1CCN(C1)C(=O)c1n[nH]c2c1CCCCC2)F	MCULE-8986355325,EMOLS-id_258016329	337.389	PNXWNEKOHTXDGS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-065807
c1(NC(=O)C2CC2C(=O)O)sc2c(CCCCC2)c1C(=O)OC	PC-id_53270353,MCULE-5594685415	337.391	BBBGOPNGTINVPT-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-065808
c1(NC(=O)C=C(C)C(=O)O)sc2c(CCCCC2)c1C(=O)OC	PC-id_5221128,MCULE-7101899436	337.391	LDVWOVYAKQCNEG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065809
c1(NC(=O)C=CC(=O)O)sc2c(CCCCC2)c1C(=O)OCC	PC-id_887147,MCULE-2057163631	337.391	QYPHUICUJZHSLJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065810
c1(NC(=O)C=CC(=O)O)sc2c(CCCCCC2)c1C(=O)OC	MCULE-4065959675,PC-id_2933131	337.391	QFRQYQZYTLSUDX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065811
CCOC(=O)c1c(NC(=O)/C=CC(=O)O)sc2c1CCCCC2	CoCoCo_888117	337.391	QYPHUICUJZHSLJ-HJWRWDBZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065812
CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCC2	STOCK2S-31612,CoCoCo_888116,EMOLS-id_25946138,ZINC22_4853013,PC-id_5415756,TIMTEC416847	337.391	QYPHUICUJZHSLJ-CMDGGOBGSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065813
COc1ccc(cc1S(=O)(=O)N1CCCc2c(C1)cco2)OC	EMOLS-id_99307478	337.391	OHPYEKPYSANKND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065814
COC(=O)c1c(NC(=O)/C=C(C)/C(=O)O)sc2c1CCCCC2	PC-id_6305478,ZINC22_5827750,EMOLS-id_46441886,TIMTEC281741	337.391	LDVWOVYAKQCNEG-CMDGGOBGSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065815
COC(=O)c1c(NC(=O)/C=C(C(=O)O)/C)sc2c1CCCCC2	CoCoCo_5807243,CoCoCo_5807244	337.391	LDVWOVYAKQCNEG-HJWRWDBZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065816
COC(=O)c1c(NC(=O)/C=CC(=O)O)sc2c1CCCCCC2	CoCoCo_905967	337.391	QFRQYQZYTLSUDX-HJWRWDBZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065817
COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCCC2	EMOLS-id_46451195,TIMTEC399740,ZINC22_4902976,ChEMBL-DNDi_CHEMBL7285204,PC-id_5736999,CoCoCo_905966	337.391	QFRQYQZYTLSUDX-CMDGGOBGSA-N	00000000100000000100000000000010000000000000000000000000	31-01-065818
CSCCc1c2OC(=O)CCC=C(c2cn1C(=O)C)OC(=O)C	PC-id_100954354	337.391	GYZFEPUTIRVOGZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-065819
s1c2c(CCCCC2)c(c1NC(=O)C1=COCCO1)C(=O)OC	PC-id_4154490	337.391	NZYBYNLOSRTBCJ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-065820
s1c2CCCCCCc2cc1C(=O)NC(CCC(=O)[O-])C(=O)[O-]	PC-id_74458934	337.391	GIVAIAGDAIISGL-UHFFFAOYSA-L	00000000100000000100000000000010000000000000000000000000	31-01-065821
s1c2CCCCCCc2cc1C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	PC-id_25528382	337.391	GIVAIAGDAIISGL-LLVKDONJSA-L	00000000100000000100000000000010000000000000000000000000	31-01-065822
s1c2CCCCCCc2cc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	PC-id_25528386	337.391	GIVAIAGDAIISGL-NSHDSACASA-L	00000000100000000100000000000010000000000000000000000000	31-01-065823
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1oc(c(c1)S(=O)(=O)C)C	EMOLS-id_320133657,MCULE-1346384641	337.394	JAFMDTQFQXRKSK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-065824
Cc1oc(c(c1)S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2)C	EMOLS-id_112056971	337.394	DKRVNIVGOBIVFK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-065825
COc1cccc(c1)S(=O)(=O)N1Cc2ccnn2CCC1CO	EMOLS-id_313818415	337.394	RYAGWXIIVACZED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065826
COc1cccc(c1S(=O)(=O)N1CCCc2c(C1)cnn2C)O	MCULE-1978606372,EMOLS-id_320154774	337.394	XBJWHXYKUOMNRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065827
COc1cccc(c1S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)O	EMOLS-id_319827436,MCULE-5809078052	337.394	NWGSDHMGCPNWSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065828
COc1cccc(S(=O)(=O)N2Cc3ccnn3CC[C@@H]2CO)c1	ZINC22_585097855	337.394	RYAGWXIIVACZED-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065829
COc1cccc(S(=O)(=O)N2Cc3ccnn3CC[C@H]2CO)c1	ZINC22_585097856	337.394	RYAGWXIIVACZED-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065830
COc1ccc(OC)c(c1)S(=O)(=O)N1CCCn2cncc2C1	PC-id_56903610,ZINC22_72148797,MCULE-1106014473,EMOLS-id_43140588	337.394	UHLOZPAIAMGISA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065831
COc1snc(c1CNC(=O)c1noc2c1CCCCC2)OC	EMOLS-id_318783975	337.394	KJRSPZTZICSBDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065832
COC(=O)CCc1nc(Cn2c3c(sc2=O)CCCCC3)no1	PC-id_75371303,EMOLS-id_48234298,MCULE-1878503536,ZINC22_95396587	337.394	PZCYDZKMAGHZCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065833
S(=O)(=O)(N(CC1n2c(noc2=O)CCCC1)C)c1ccccc1	PC-id_22901453	337.394	NIUDJKRAFCUJNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065834
CC(Oc1cncc(c1)S(=O)(=O)N1CCCn2c(C1)cnn2)C	MCULE-6360750598,EMOLS-id_320151298	337.397	ILBNLCHDHJHJCA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065835
CCS(=O)(=O)N1Cc2nccn2C[C@H](Cn2ncccc2=O)C1	ZINC22_96188750,PC-id_97463181	337.397	IKCOPMUKBIBVRP-LBPRGKRZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-065836
CCS(=O)(=O)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1	ZINC22_96188751,PC-id_97463182	337.397	IKCOPMUKBIBVRP-GFCCVEGCSA-N	00000000100000100101000000000010000000000000000000000000	31-01-065837
CCS(=O)(=O)N1CCc2n(CC1)c(nn2)COc1ccccn1	PC-id_97405401	337.397	SOBPJWXNSRNDAJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065838
CCS(=O)(=O)N1CC(Cn2ncccc2=O)Cn2ccnc2C1	EMOLS-id_44326591	337.397	IKCOPMUKBIBVRP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-065839
Cn1nc(c(c1)S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2)C	EMOLS-id_111972277	337.397	DXJGPWKZLHFCCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065840
COc1snc(c1CNC(=O)C1CCc2n(CC1)cnn2)OC	EMOLS-id_320246115,MCULE-6805558880	337.397	VDMULYGLIZUKST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065841
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccc[nH]3)cc2C1	ZINC22_82138782,PC-id_70770373,EMOLS-id_44446443,MCULE-3408226744	337.397	NNHFSRPKGCVNIA-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-065842
O=C(c1ccc[nH]1)N1CCc2n(CC1)c(cn2)CNS(=O)(=O)C	PC-id_97467169	337.397	LLVOLCKOIHDJFS-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-065843
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)c1cnn(c1C)C	EMOLS-id_112066012	337.397	XZEPRLHRGDPIPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065844
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)c1nc(n(c1)C)C	EMOLS-id_112093208	337.397	YZSIVQSXBZSANE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065845
N#CC(=Cc1csc(n1)c1ccco1)c1nnc2n1CCCCC2	MCULE-3274389185,EMOLS-id_32100400,PC-id_72047369	337.399	XIWOEDPMRGHFPC-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-065846
s1cc(nc1c1occc1)/C=C(c1n2CCCCCc2nn1)/C#N	PC-id_47077445	337.399	XIWOEDPMRGHFPC-XFXZXTDPSA-N	00000000101000000101100000000010000000000000000000000000	31-01-065847
s1cc(nc1c1occc1)/C=C(/c1n2CCCCCc2nn1)C#N	PC-id_73951739	337.399	XIWOEDPMRGHFPC-FMIVXFBMSA-N	00000000101000000101100000000010000000000000000000000000	31-01-065848
CCS(=O)(=O)N1CCCn2nnc(CNc3ncccn3)c2C1	PC-id_97519582,EMOLS-id_44370548,ZINC22_96259499	337.401	ZHPXKZZKBOVHEI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-065849
COc1nnc(NC(=O)NCCc2nnc3n2CCCCC3)s1	ZINC22_241644651,MCULE-6386589199,EMOLS-id_75980105,PC-id_121548786	337.401	PSLRSIHQKUELMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065850
CS(=O)(=O)N1CCCn2nc(CNc3ccnc(N)n3)cc2C1	MCULE-7869457711,ZINC22_82161061,PC-id_70783112,EMOLS-id_44450899	337.401	ZQXYXNFWSRHDQV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-065851
O=S(=O)(c1nc2n(c1)CCCC2)NC1CCn2c(CC1)nnn2	EMOLS-id_316881817,MCULE-3653087517	337.401	NOCWFAMEBHIKAJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-065852
O=S(=O)(N[C@H]1CCc2nnnn2CC1)c1cn2c(n1)CCCC2	ZINC22_420750320	337.401	NOCWFAMEBHIKAJ-JTQLQIEISA-N	00000000100010000101000000010010000000000000000000000000	31-01-065853
O=S(=O)(N[C@@H]1CCc2nnnn2CC1)c1cn2c(n1)CCCC2	ZINC22_420750321	337.401	NOCWFAMEBHIKAJ-SNVBAGLBSA-N	00000000100010000101000000010010000000000000000000000000	31-01-065854
O=S(=O)(N[C@H]1CCc2nnnn2CC1)c1cnc2n1CCCC2	ZINC22_1363999411	337.401	LIZVVDYZUKQKNG-JTQLQIEISA-N	00000000100010000101000000010010000000000000000000000000	31-01-065855
O=S(=O)(N[C@@H]1CCc2nnnn2CC1)c1cnc2n1CCCC2	ZINC22_1363999416	337.401	LIZVVDYZUKQKNG-SNVBAGLBSA-N	00000000100010000101000000010010000000000000000000000000	31-01-065856
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1c(C)cc(cc1C)F	EMOLS-id_318775497	337.412	SWFRVTQIBAIIEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065857
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)Cc1ccc(cc1F)C	EMOLS-id_319476180	337.412	FFJMFSVXCKFWDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065858
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CCc1cccc(c1)F	MCULE-5729590952,EMOLS-id_319956382	337.412	YEJMAFIKXWJIPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065859
Cc1ccc(cc1F)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950785	337.412	DPDMOEJHINEHIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065860
Cc1ccc(c(c1)F)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950914	337.412	QOOHJOIYFSSIHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065861
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cc(C)c(c(c1)C)F	EMOLS-id_101948532	337.412	DHCNROYETUYRJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065862
S(c1n2CCCCCc2nn1)CC(O)COc1ccc(F)cc1	PC-id_60221364	337.412	ZDOUNFKVFKQOPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065863
CCc1nn(c2c1C(=O)NCCCOCCC2)CC1(COC1)CO	SCHEMBL20288904,PC-id_135141861	337.414	LGCMMDSZIFHABX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-065864
COC(=O)c1nn2c(c1)N(CC(CC2(C)C)C)C(=O)OC(C)(C)C	PC-id_138502405,SCHEMBL20852262	337.414	UWDSVFWUNXGNEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065865
O=C(N1CCc2c(CC1)n(cn2)C(=O)OC(C)(C)C)OC(C)(C)C	PC-id_71237786,SCHEMBL14658484	337.414	QMEGBQMULSDUFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065866
OC(=O)c1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)ccs2	EMOLS-id_316350316,MCULE-7150919123	337.414	SWGFGJRWADAILC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065867
OC(=O)c1ccccc1S(=O)(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318208290,MCULE-1510532435	337.414	CLKIYIHWXPKRCV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065868
OC(=O)c1cccc(c1)S(=O)(=O)N1CCCc2c(C1)ccs2	MCULE-9039759974,EMOLS-id_318326735	337.414	RNAAPTAXMSCFNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-065869
s1c2c(CCCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)N	PC-id_7027692	337.414	VKGPDAGOBWZVQZ-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-065870
c12CN(CCCn1nc(CO)c2)Cc1cccc(c1)c1ccc(C)o1	PC-id_90650018,EMOLS-id_50535677,MCULE-6206045823,ZINC22_220098788	337.416	JXNIVHONEMIKBQ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-065871
Cc1cccc2oc(C(=O)N3Cc4cnn(C)c4CC(C)(C)C3)cc12	ZINC22_826800077,EMOLS-id_316956859,PC-id_136565591,MCULE-3975278213	337.416	BIFLDVCMWKAYEW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065872
Cc1ccc(CN2Cc3cccn3C[C@@H](OCc3ccccn3)C2)o1	ZINC22_248125300	337.416	WPSOERUIWBTWND-FQEVSTJZSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065873
Cc1ccc(CN2Cc3cccn3C[C@H](OCc3ccccn3)C2)o1	ZINC22_248125304	337.416	WPSOERUIWBTWND-HXUWFJFHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065874
Cc1ccc(CN2Cc3cccn3C[C@@H](OCc3cccnc3)C2)o1	ZINC22_248125323	337.416	WQBGIIDPWWBKBD-FQEVSTJZSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065875
Cc1ccc(CN2Cc3cccn3C[C@H](OCc3cccnc3)C2)o1	ZINC22_248125327	337.416	WQBGIIDPWWBKBD-HXUWFJFHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065876
Cc1ccc(CN2CC(Cn3cccc3C2)OCc2ccccn2)o1	EMOLS-id_50011420	337.416	WPSOERUIWBTWND-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065877
Cc1ccc(CN2CC(Cn3cccc3C2)OCc2cccnc2)o1	EMOLS-id_50008556	337.416	WQBGIIDPWWBKBD-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065878
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1coc2c1cc(C)c(c2)C	EMOLS-id_319791145	337.416	UPZPMQQPYAPHQM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065879
CCN(Cc1c[nH]c2ccccc12)C(=O)c1noc2c1CCCCC2	MCULE-1254122994,EMOLS-id_99888689,ZINC22_188878989	337.416	QAUXRHZKFZJDQU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065880
Cn1ncc2c1CCCN(C2)C(=O)c1oc2c(c1C)c(C)ccc2C	EMOLS-id_101670209	337.416	WPTADBMWZJEEMA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065881
O=C(c1coc2c1cc(cc2)C(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101678264	337.416	GYNQKUVHUVBYEG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065882
OCC#Cc1cccc(c1)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319977166,MCULE-4087946870	337.416	IVPZJAJZQMUBGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065883
O=C(N1CCCC1)c1ccc2CN(CCCn12)C(=O)c1ccccc1	EMOLS-id_317417823,MCULE-6288641525	337.416	WTNFZFJCKQQUGA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-065884
O=C(N1CCCc2c(C1)cnn2C)Cc1coc2c1ccc(c2C)C	EMOLS-id_101667386	337.416	FLFRKZGEWVCFCL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065885
O=C(N1CCCc2c(C1)cnn2C)Cc1coc2c1cc(C)c(c2)C	EMOLS-id_101847805	337.416	NBGDAULZMRNHNX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065886
O=C(NCC1CC1)c1ccc2CCN(CCn12)C(=O)c1ccccc1	ZINC22_585110963,EMOLS-id_313777856	337.416	IACKZJSWIYHCJO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-065887
c12CN(CCCn1nc(CNC(=O)C(CC)OC)c2)C(=O)N(C)C	PC-id_70775465,EMOLS-id_44448183,MCULE-1303191419	337.417	DZCISBMOOSGMPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065888
c12CN(CCCn1nc(CNC(=O)CCOCC)c2)C(=O)N(C)C	ZINC22_82134489,EMOLS-id_44443479,PC-id_70761932,MCULE-8856636703	337.417	CHXWBCFWKXPNEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065889
Cc1cc(CN2Cc3cncn3CC[C@@H]2COc2ccccc2)n[nH]1	ZINC22_585097789	337.419	PSUDMQIEWOCTOD-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065949
c12CN(CCCn1nc(CNC(=O)OCCCC)c2)C(=O)N(C)C	ZINC22_82115609,PC-id_70744081,EMOLS-id_44437371,MCULE-1703289907	337.417	OREZGSHYCQKABF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065890
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)Cc1ccccc1	PC-id_90625602	337.417	DTMOKFZORBXDIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065891
Cc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625584	337.417	AAWOHIBAJPAIPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065892
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CN(CCOCC1CN(Cc2n(C1)ncc2)C(=O)CNC(=O)C)C	PC-id_118739413	337.417	XFQMFVMSGAAIEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065896
COCCN1CCCC(O)(CN2CCc3nnc(C)n3CC2)C1=O	PC-id_56758483,EMOLS-id_36612602,MCULE-6924939370	337.417	GUJOXTNIWCZUMH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065897
COCCN1CCC[C@](O)(CN2CCc3nnc(C)n3CC2)C1=O	PC-id_95228004,ZINC22_67954971	337.417	GUJOXTNIWCZUMH-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-065898
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O(C(C)(C)C)C(=O)NCCC(=O)NCc1n2CCCCCc2nn1	PC-id_51266368	337.417	MAHVOXFYMWKEGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065902
O(C(C)(C)C)C(=O)N(CC(=O)NCc1n2CCCCCc2nn1)C	PC-id_60234279	337.417	CHSLYWAXPGKYBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065903
O(C(C)(C)C)C(=O)NC(C(=O)NCc1n2CCCCCc2nn1)C	PC-id_76871521	337.417	UJCSILUCWIXMGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065904
O(C(C)(C)C)C(=O)N[C@@H](C(=O)NCc1n2CCCCCc2nn1)C	PC-id_60596233	337.417	UJCSILUCWIXMGD-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065905
O=C(NCc1n2CCCCCc2nn1)C(NC(=O)OC)CC(C)C	PC-id_47993253	337.417	YZYGTJHKHXXBAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-065906
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s1c2CCCCCCc2nc1NC(=O)c1sc([N+](=O)[O-])cc1	PC-id_56021078	337.417	AYVSPHMTTSEJFN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-065908
c12c(C)cccn1c(cn2)CC(=O)NCc1c2CCCCCc2[nH]n1	EMOLS-id_222790204,ZINC22_670471189,MCULE-6266612339	337.419	BDLHSBGYQOAUBW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065909
c12CN(CCCn1nc(C#N)c2)C(=O)NC(C)CCc1ccccc1	EMOLS-id_177361093,MCULE-4181374890,PC-id_122556269	337.419	SIPVXGJDXPVSHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065910
c12CN(CCCn1nc(CO)c2)Cc1ccc(cc1C)n1cccn1	ZINC22_220047153,PC-id_90649951,MCULE-3863302800,EMOLS-id_50535445	337.419	KXXSEDBAVNCZQF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065911
c12CN(CCCn1nc(CO)c2)Cc1cncn1Cc1ccccc1	PC-id_91793272,MCULE-1376012312,EMOLS-id_55698447	337.419	WGLMUJQJFKKYIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065912
c12CN(CCCn1nc(CO)c2)Cc1nccn1Cc1ccccc1	EMOLS-id_55619594,MCULE-7071595452,PC-id_91765994	337.419	VOFPKMKCJGCRKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065913
c12cncn1CCCN(Cc1ccc(cc1)OCCn1ccnc1)C2	MCULE-3786005766,ZINC22_72168191,PC-id_56913898,EMOLS-id_43170968	337.419	XLRUKZNURRHJHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065914
C1CC1Cn1c(=O)n2CCN(CCc2n1)Cc1c2cc[nH]c2ccc1	PC-id_91922459	337.419	VFKMWAAVTGUSPS-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-065915
C1CC1Cn1c(=O)n2CCN(CCc2n1)Cc1cc2c(cc1)[nH]cc2	PC-id_91922460,EMOLS-id_50585781,MCULE-6892397672	337.419	DPXCUHBKIOQZOD-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-065916
c1ccc(cc1)CC(c1ncco1)NCc1nnc2n1CCCCC2	EMOLS-id_177304742,MCULE-8158215684	337.419	WGUPESINQWRZFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065917
c1ccc(C[C@H](NCc2nnc3n2CCCCC3)c2ncco2)cc1	ZINC22_585090883	337.419	WGUPESINQWRZFQ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065918
c1ccc(C[C@@H](NCc2nnc3n2CCCCC3)c2ncco2)cc1	ZINC22_585090884	337.419	WGUPESINQWRZFQ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065919
c1(CN(C)Cc2nnc(c3ccccc3)o2)c2CCCCCc2[nH]n1	EMOLS-id_55694883,PC-id_91841725,MCULE-5258583127,ZINC22_244724235	337.419	MQIUCHLOTJRAFY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065920
c1(CN(C)Cc2onc(c3cccnc3)c2)c2CCCCCc2[nH]n1	EMOLS-id_55687877,ZINC22_244701290,MCULE-8251070452,PC-id_91840693	337.419	KDMJZPCQHPBUTA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-065921
c1cncc(CN(Cc2ccco2)Cc2nnc3n2CCCCC3)c1	EMOLS-id_320373783,MCULE-4269484096,PC-id_145890672,ZINC22_272964835	337.419	XYSDWCJQXZUATF-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065922
c1(CN(C)C(=O)Nc2ccc3c(cc[nH]3)c2)c2CCCCCc2[nH]n1	ZINC22_299800250,MCULE-7671428186,PC-id_118788152,EMOLS-id_68926369	337.419	XJWVJZSLSWYQOD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065923
c1(C(=O)Nc2ccc3c(c2)[nH]c(n3)CC)c2CCCCCCc2[nH]n1	BDD-25323810,ZINC22_257337256,EMOLS-id_46576513,PC-id_110089364,MCULE-7058658745	337.419	YSAZZZJKVUOBOG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065924
c1(C(=O)Nc2ccc3c(c2)[nH]c(n3)C(C)C)c2CCCCCc2[nH]n1	MCULE-6092256415,EMOLS-id_323251388	337.419	HPOJMXYCLNIZHD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065925
c1(C(=O)NCc2ccc3c(c2)c(C)c([nH]3)C)nnc2CCCCCn12	MCULE-2972581337,PC-id_56863238,ZINC22_71479612,EMOLS-id_43070691	337.419	WAWGHZJJACFJTF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065926
c1(C(=O)NCCc2c3ccccc3[nH]c2)cc2n(CCCN(C)C2)n1	ZINC22_67741746,PC-id_50969826,EMOLS-id_32409198,MCULE-4676734890	337.419	FVRGRDNRBDJGOF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065927
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)c(C)n2c(cccc2)n1	PC-id_154564910,MCULE-3583476596,EMOLS-id_324141087,ZINC22_1857671197	337.419	AMUQGGRJKSBLMI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065928
c1(C(=O)NCCc2n(C)c3c(cccc3)n2)c2CCCCCc2n[nH]1	PC-id_75490385,EMOLS-id_50402452,ZINC22_96232126,EMOLS-id_49249139,MCULE-2255809274,STOCK7S-47359	337.419	CIRIKWQHVQGQEK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065929
c1(C(=O)NCCCc2[nH]c3c(cccc3)n2)c2CCCCCc2n[nH]1	EMOLS-id_50403571,ZINC22_96231844,PC-id_75490170,MCULE-4047987530,EMOLS-id_49248642,STOCK7S-47103	337.419	LBAMRVVVZKHWBR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065930
c1(C(=O)NCCn2c3ccccc3nc2C)c2CCCCCc2n[nH]1	STOCK7S-46098,MCULE-1197152858,EMOLS-id_49246691,EMOLS-id_50401746,PC-id_75357104,ZINC22_96230710	337.419	TVWVATLCKMERPQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065931
Cc1cc2ccccc2n1CC(=O)NCc1nnc2n1CCCCC2	ZINC22_40475430,EMOLS-id_29977287,CoCoCo_4336687,MCULE-8094058169,PC-id_45799581	337.419	MAHICGZTQQUQMI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065932
Cc1ccc2c(c1)[nH]cc2CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_318991804	337.419	NFDCSBZELLQGGA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065933
Cc1ccc2c(c1)[nH]cc2C(=O)N(Cc1nnc2n1CCCCC2)C	MCULE-4290524712,EMOLS-id_320187759	337.419	FRZBMRPZZXKFBC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065934
Cc1ccc2c(c1)[nH]cc2C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_319757805	337.419	LQPREFYUTIRPAA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065935
Cc1ccc2c(C(=O)N3Cc4c[nH]nc4CC(C)(C)C3)cnn2c1C	ZINC22_826801097,EMOLS-id_316959930,MCULE-7782374296,PC-id_136565587	337.419	KWOFVKRPGMBHKL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065936
Cc1cccc([C@@H](C(=O)N2CCCn3nc(C#N)cc3C2)N(C)C)c1	PC-id_95125899,ZINC22_65397348	337.419	NURZDTLZESFMOE-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065937
Cc1cccc([C@H](C(=O)N2CCCn3nc(C#N)cc3C2)N(C)C)c1	ZINC22_65397349,PC-id_95125900	337.419	NURZDTLZESFMOE-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065938
Cc1ccc(CN2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)o1	ZINC22_248105712	337.419	PBGAIJSFZGRZBQ-INIZCTEOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065939
Cc1ccc(CN2Cc3ccnn3C[C@H](CNc3ccccn3)C2)o1	ZINC22_248105714	337.419	PBGAIJSFZGRZBQ-MRXNPFEDSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065940
Cc1ccc(CN2CCc3ncc(CNc4ccccn4)n3CC2)o1	PC-id_97467249,ZINC22_96197106,EMOLS-id_44329135	337.419	UUAPIEAUOJITGY-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065941
Cc1ccc(CN2CC(CNc3ccccn3)Cn3nccc3C2)o1	EMOLS-id_50371713	337.419	PBGAIJSFZGRZBQ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-065942
Cc1cc(CN2Cc3cccn3C[C@H](Oc3ccccn3)C2)n(C)n1	ZINC22_306132483	337.419	LKQMLFBCBCNVHL-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065943
Cc1cc(CN2Cc3cccn3C[C@@H](Oc3ccccn3)C2)n(C)n1	ZINC22_306132484	337.419	LKQMLFBCBCNVHL-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065944
Cc1cc(CN2Cc3cccn3C[C@@H](Oc3cccnc3)C2)n(C)n1	ZINC22_306142686	337.419	XGLDUDDDCCMOAT-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-065945
Cc1cc(CN2Cc3cccn3C[C@H](Oc3cccnc3)C2)n(C)n1	ZINC22_306142687	337.419	XGLDUDDDCCMOAT-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065946
Cc1cc(CN2Cc3cncn3CCC2COc2ccccc2)[nH]n1	EMOLS-id_313816613	337.419	PSUDMQIEWOCTOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065947
Cc1cc(CN2Cc3cncn3CC[C@H]2COc2ccccc2)n[nH]1	ZINC22_585097788	337.419	PSUDMQIEWOCTOD-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065948
Cc1cc(CN2CC(Cn3cccc3C2)Oc2ccccn2)n(C)n1	EMOLS-id_50376661	337.419	LKQMLFBCBCNVHL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065950
Cc1cc(CN2CC(Cn3cccc3C2)Oc2cccnc2)n(C)n1	EMOLS-id_50372881	337.419	XGLDUDDDCCMOAT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065951
Cc1cc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)on1	ZINC22_631112846,EMOLS-id_316431720,MCULE-9960446501	337.419	IFEBBUPTEQHZBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065952
Cc1cn2c(n1)cc(cc2)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_316668631	337.419	LTDANBUWYHOEPR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065953
CC1CN(Cc2c(C1)[nH]nc2)C(c1nnc(o1)c1ccc(cc1)C)C	EMOLS-id_319383366	337.419	QMBZRDKEEHLAKH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065954
CC1CN(Cc2c(C1)[nH]nc2)C(c1onc(n1)c1ccccc1C)C	EMOLS-id_319824473	337.419	CKBPJLHYIXHVFW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065955
CC1CN(Cc2c(C1)[nH]nc2)C(c1onc(n1)Cc1ccccc1)C	EMOLS-id_319193915	337.419	NBJOGWGTWPUCJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065956
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)N1CCC(=N1)C	EMOLS-id_319994281,MCULE-1779076975	337.419	BFRALJOWNFEQJD-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-065957
CC1CN(Cc2onc(n2)CCc2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_319137028	337.419	ZFAFLTBUDFSUFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065958
CC1CN(CCCc2onc(n2)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_318891805	337.419	DPAMQEBROGPVBV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065959
Cc1cn(CC(=O)NCc2nnc3n2CCCCC3)c2ccccc12	ZINC22_50557799,PC-id_49375114,EMOLS-id_36289662,MCULE-7916193492	337.419	ACHRITLRQSEPOO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065960
Cc1cnc(o1)CNc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_316628324	337.419	NMZZWCKGOIXGIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065961
Cc1coc(n1)CNc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_319373649	337.419	IQBSAXZJSIPVQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065962
Cc1conc1CNc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_319342783	337.419	OKSSZKBVHBLXNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065963
Cc1[nH]c2ccc(C(=O)NCc3nnc4n3CCCCC4)cc2c1C	PC-id_45795151,ZINC22_40461304,EMOLS-id_29635309,CoCoCo_3865691,MCULE-1593071911	337.419	PSSCFANIZJRTBA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065964
Cc1[nH]c2c(C(=O)NCc3nnc4n3CCCCC4)cccc2c1C	MCULE-7598001391,ZINC22_45312250,EMOLS-id_50302615,PC-id_86926081	337.419	REWOPQTYTPVECX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065965
Cc1nnc2CCC(CCn12)NC(=O)CCc1c[nH]c2ccccc12	EMOLS-id_50590181,PC-id_91910722,MCULE-9263807006	337.419	KWPNINPNVVXOCM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065966
CC1=NN(CC1)c1ccc(cc1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670064	337.419	SQYMVPANGKVKTM-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-065967
Cc1noc(C)c1CN1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337772686,ZINC22_2356165767,MCULE-8378914763	337.419	NGJJBJGLBMMYDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065968
CCc1ccc(cc1)c1noc(n1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319771554	337.419	LDVHVTAZAMDIHO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-065969
CCc1nc2c(n1CC(=O)N1CC(C)Cc3c(C1)cn[nH]3)cccc2	MCULE-4335625190,EMOLS-id_319974142	337.419	OLRBLYBUPSXFFD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065970
CC(c1n(C)c2c(cccc2)n1)NC(=O)c1c2c(CCCCC2)[nH]n1	MCULE-5404203800,EMOLS-id_323253426	337.419	UWCYAIYXFZAIPZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065971
CC(C)(C)c1ccc2[nH]c(C(=O)N3CCCn4nncc4C3)cc2c1	EMOLS-id_316969396,ZINC22_829602247,MCULE-2267587044	337.419	ZWWXZKDKZOIJNQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065972
CCCn1ccc2c1ccc(c2)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316608365	337.419	AKNCHNPDKSUNBX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065973
CC(C(=O)NCc1n[nH]c2CCCCCc12)n1cnc2ccccc12	MCULE-7107817341,PC-id_118769015,EMOLS-id_68887597	337.419	CQHJCEOKWGQGAL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065974
C[C@@H](CCc1ccccc1)NC(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_534576753	337.419	SIPVXGJDXPVSHQ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065975
C[C@H](CCc1ccccc1)NC(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_534576754	337.419	SIPVXGJDXPVSHQ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065976
C[C@H](C(=O)NCc1n[nH]c2c1CCCCC2)n1cnc2ccccc12	ZINC22_299757870	337.419	CQHJCEOKWGQGAL-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065977
C[C@@H](C(=O)NCc1n[nH]c2c1CCCCC2)n1cnc2ccccc12	ZINC22_299757872	337.419	CQHJCEOKWGQGAL-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065978
C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2	ZINC22_29901914	337.419	XTZKJQSIUPGYIS-CYBMUJFWSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065979
C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2	ZINC22_29901917	337.419	XTZKJQSIUPGYIS-ZDUSSCGKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065980
C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1nnc2n1CCCCC2	ZINC22_29894999	337.419	NVTSRAINFHGEBO-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065981
C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1nnc2n1CCCCC2	ZINC22_29895003	337.419	NVTSRAINFHGEBO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065982
CCn1cc(CN2Cc3cccn3C[C@H](Oc3ccccn3)C2)cn1	ZINC22_306131138	337.419	JXRQIWUSPCARBD-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065983
CCn1cc(CN2Cc3cccn3C[C@@H](Oc3ccccn3)C2)cn1	ZINC22_306131139	337.419	JXRQIWUSPCARBD-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065984
CCn1cc(CN2CC(Cn3cccc3C2)Oc2ccccn2)cn1	EMOLS-id_50010974	337.419	JXRQIWUSPCARBD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-065985
CCN(C1=NN(Cc2ccccc2)C(=O)n2c(C=C1C)ncc2)CC	PC-id_101042620	337.419	RSTOKZBYZPYTIW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-065986
Cn1c2ccccc2c(n1)C(=O)N(C)Cc1n[nH]c2c1CCCCC2	PC-id_135095034	337.419	HXKWYTHMBARMMD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065987
CN(Cc1cnc2n1CCN(CC2)C(=O)c1ccc2c(c1)cc[nH]2)C	PC-id_97466953	337.419	XAVAPYWHXBIVHF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065988
CN(Cc1nnc2n1CCCCC2)C(=O)CCc1ccc(C#N)cc1	ZINC22_45064404,MCULE-1675710902,EMOLS-id_36629836,PC-id_53532161	337.419	IPFBAIPZAXOTPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065989
n12CCN(CCc1nn(CC1CC1)c2=O)Cc1ccc2c([nH]cc2)c1	PC-id_91922461,EMOLS-id_50585783,MCULE-4906220709	337.419	QQRPFNADEGJGHX-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-065990
n1c(CNC(=O)CCn2c3ccccc3nc2)c2c(CCCCC2)[nH]1	EMOLS-id_222773688,MCULE-2729453135,ZINC22_670455469	337.419	QPAZJVGJKYTNOJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-065991
N#Cc1ccc(cc1)CCC(=O)NC(c1nnc2n1CCCCC2)C	EMOLS-id_35699488,MCULE-3315260552,PC-id_53520105	337.419	NVTSRAINFHGEBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065992
N#Cc1nn2c(c1)CN(CCC2)C(=O)C(c1cccc(c1)C)N(C)C	PC-id_50961036,MCULE-1040004633,EMOLS-id_32392656	337.419	NURZDTLZESFMOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-065993
O=C(c1cccc2c1[nH]c(c2C)C)NCc1cc2n(n1)CCCNC2	EMOLS-id_49645500,PC-id_74233308,MCULE-5967435088	337.419	LNLYFLKMUNQYNG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065994
O=C(C1CCn2c(CC1)nnc2)NCCCc1c[nH]c2c1cccc2	MCULE-5103320126,EMOLS-id_319883888	337.419	SYHJFTWKIYILQQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065995
O=C(C1CCn2c(CC1)nnc2)NCCCn1ccc2c1cccc2	EMOLS-id_319350141	337.419	FZNBDLDOQSHGII-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065996
O=C(Cc1c[nH]c2ccccc12)NCCc1nnc2n1CCCCC2	PC-id_47016868,ZINC22_48332461,EMOLS-id_30720419,MCULE-8690570793	337.419	MZNLIUFOKAQFLK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065997
O=C(CCc1c[nH]c2ccccc12)NCc1nnc2n1CCCCC2	PC-id_47014547,ZINC22_48326191,EMOLS-id_30714087,MCULE-9933262618	337.419	DFPCKCZLHDCEIS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065998
O=C(CCn1ccc2ccccc12)NCc1nnc2n1CCCCC2	EMOLS-id_30678256,ZINC22_42060672,PC-id_47020175,MCULE-5199884103	337.419	RSIDPMVQPSNGHG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-065999
OCCN(c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1)C	PC-id_78650344	337.419	FCBYVJZDAIQUNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066000
OCCN(c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)C	PC-id_8275400	337.419	FCBYVJZDAIQUNA-DTQAZKPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066001
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Cn1ccc2c1cccc2N	EMOLS-id_319623735	337.419	PECVAYKJCJXWNI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066002
O=C(N1CCCc2c(C1)cnn2C)NCc1ccc2c(c1)cc([nH]2)C	EMOLS-id_101700065	337.419	HGSZUEJQDSPASI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066003
O=C(NC(c1n2CCCCCc2nn1)C)Cc1c2c([nH]c1)cccc2	MCULE-8492753883,EMOLS-id_36266363,PC-id_53528367	337.419	XTZKJQSIUPGYIS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066004
c12C(=O)NCCCc1nc(NC(=O)c1snnc1CCC)s2	PC-id_72719991,ZINC22_211129890,MCULE-2938681116,EMOLS-id_50139227	337.42	DIMGEDIRJPOQMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066005
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cnc2n1ccs2	EMOLS-id_318981371	337.421	REOUWEBKPXKSQC-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-066006
CCOCCN1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163252	337.421	VMPLXOBPGHUPKP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066007
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cnc2n1ccs2	EMOLS-id_319130270	337.421	UHBXFKKARUVOJD-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-066008
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1csnn1	EMOLS-id_313790773,ZINC22_1565555236	337.421	CKRIYFSWZDZJCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066009
COCCN1CCC(CC1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319790867	337.421	ZPZOQPBVWIXAJQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066010
OCCN1[C@H](C)CN(C[C@@H]1C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161416	337.421	KCWNTJFMDPPTEQ-FUNVUKJBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066011
O=C(NC1CCn2c(CC1)nnn2)NCC(N1CCOCC1)(C)C	EMOLS-id_102164581	337.421	VGZRJCIFCJWYFP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066012
O=C(NC1CCn2c(CC1)nnn2)NCCN1CCOC(C1)(C)C	EMOLS-id_102174416	337.421	KIXVVGMQUCUNOF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066013
O=C(NC1CCn2c(CC1)nnn2)NCCN1CCOCC1(C)C	EMOLS-id_102175562	337.421	QFKGHRFGNJFJHH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066014
O=C(NC(CN1CCOCC1)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102107102	337.421	JVSQLSAYTLUHFI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066015
c1ccc(cn1)C(c1[nH]ccn1)NCCc1nnc2n1CCCCC2	MCULE-2600260605,PC-id_146090335,EMOLS-id_324054039	337.422	UHTQISOXWULKSZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066016
c1(ccnn1C)c1c(C)cnc(NCc2c3CCCCCc3[nH]n2)n1	MCULE-9836798815,EMOLS-id_232747771,ZINC22_19222651,CoCoCo_1397660,CoCoCo_1397659,PC-id_28098378	337.422	FZSKDPISZSEYIJ-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-066017
c1cncc([C@H](NCCc2nnc3n2CCCCC3)c2ncc[nH]2)c1	ZINC22_527283782	337.422	UHTQISOXWULKSZ-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066018
c1cncc([C@@H](NCCc2nnc3n2CCCCC3)c2ncc[nH]2)c1	ZINC22_527283783	337.422	UHTQISOXWULKSZ-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066019
c1ncn(c2ccc(CNCCc3nnc4n3CCCCC4)cc2)n1	MCULE-5708266441,ZINC22_67698332,PC-id_72045089,EMOLS-id_42961234	337.422	YDJZDOXGEXTZTE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066020
Cc1cccc(c1n1nnnc1CN1CCCc2c(C1)cnn2C)C	EMOLS-id_101740891	337.422	YJVRGTKOEUFHEJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066021
Cc1cccc(n1)CN1CCCn2c(C1)c(nc2)Cn1nncc1C	PC-id_97405509	337.422	YZJQBJYXPYVHRN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066022
CC1CN(Cc2c(C1)[nH]nc2)Cc1nnnn1c1c(C)cccc1C	MCULE-3792245156,EMOLS-id_320142238	337.422	DFLRKQOWAUQUPT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066023
Cc1nc(C)n(CC2CN(Cc3cccnc3)Cc3nccn3C2)n1	CHEMBL3554310,PC-id_118745859,EMOLS-id_44326547	337.422	POJSOVNGBKVNHN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066024
Cc1nc(C)n(CC2CN(Cc3ccncc3)Cc3nccn3C2)n1	EMOLS-id_44326549,CHEMBL3554309,PC-id_118745857	337.422	LEWKDKSGKUZUQW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066025
Cc1nc(C)n(C[C@H]2CN(Cc3cccnc3)Cc3nccn3C2)n1	PC-id_97463137,ZINC22_96188704	337.422	POJSOVNGBKVNHN-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066026
Cc1nc(C)n(C[C@@H]2CN(Cc3cccnc3)Cc3nccn3C2)n1	PC-id_97463138,ZINC22_96188705	337.422	POJSOVNGBKVNHN-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066027
Cc1nc(C)n(C[C@H]2CN(Cc3ccncc3)Cc3nccn3C2)n1	ZINC22_96188706,PC-id_97463139	337.422	LEWKDKSGKUZUQW-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066028
Cc1nc(C)n(C[C@@H]2CN(Cc3ccncc3)Cc3nccn3C2)n1	ZINC22_96188707,PC-id_97463140	337.422	LEWKDKSGKUZUQW-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066029
CCc1nc(CN2CCc3nnc(Cc4ccccc4)n3CC2)n[nH]1	ZINC22_252483957,PC-id_91831042,EMOLS-id_55620628,MCULE-7026924244	337.422	FLIIRIWVFXQTIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066030
CCn1cc(CN2CCc3nnc(Cc4cccnc4)n3CC2)cn1	EMOLS-id_43073483,ZINC22_72130791,MCULE-4637583276,PC-id_56886065	337.422	OARWHAONCVVRHR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066031
CCn1ncnc1CN1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337834556,MCULE-4944930373,ZINC22_2356151270	337.422	AQZNIXVRKNQXSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066032
Cn1cc(CN2CCc3ncc(CNc4ccccn4)n3CC2)cn1	ZINC22_106803758,PC-id_98762535,EMOLS-id_44329131	337.422	NXXHOCJGGDJGMS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066033
Cn1nncc1CNc1ccc(Cc2nnc3n2CCCCC3)cc1	PC-id_121532397,ZINC22_242191346,MCULE-7672702943,EMOLS-id_73038179	337.422	XEUXKXWEDCTGAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066034
N1(CCN(CC1)c1ncc(cc1)C#N)Cc1n2CCCCCc2nn1	PC-id_51322766	337.422	PUOJDTWOERYTSZ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-066035
N#Cc1ccc(cc1)N1CCC(CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102002535	337.422	RHHIZLUDMJGARM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-066036
N#Cc1cccnc1N1CCN(Cc2nnc3n2CCCCC3)CC1	CoCoCo_4555140,EMOLS-id_25654214,ZINC22_32888324,PC-id_40123388,CoCoCo_4555139,MCULE-1072393046	337.422	SCJLTNYQPRXBQO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-066037
c1(NC(=O)C2CCCO2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3440960,MCULE-9737746638,EMOLS-id_4017454,TIMTEC62627	337.434	ATTNIVMYQMVMIY-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066038
c1(NC(=O)C2CCCO2)sc2c(CCCCCC2)c1C(=O)OC	TIMTEC88990,MCULE-7890271158,PC-id_2933702,EMOLS-id_2446908	337.434	BWUNMYRCAQWHPZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066039
C=CCOCC(C(=O)O)NC(=O)c1sc2c(c1)CCCCCC2	PC-id_121954067	337.434	FAVFVIQHFWIYDN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066040
C[C@H]1OC(CN(C1)C(=O)c1sc2c(c1)CCCCCC2)C(=O)O	PC-id_120245865	337.434	VVUVGIZEBVVMIN-JTDNENJMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066041
CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCCC2	ZINC22_2748804,PC-id_40435654,CoCoCo_900291	337.434	ATTNIVMYQMVMIY-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066042
CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCCC2	ZINC22_2748805,PC-id_40435655,CoCoCo_900292	337.434	ATTNIVMYQMVMIY-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066043
COC1CC(N(C1)C(=O)c1sc2c(c1)CCCCCC2)C(=O)O	PC-id_120235737	337.434	YPMCWKLBEDSDQG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066044
COC1CN(C(C1)CC(=O)O)C(=O)c1cc2c(s1)CCCCC2	PC-id_121964734	337.434	XGLAZAAPRXVMFG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066045
COCC1(CCN(C1)C(=O)c1cc2c(s1)CCCCC2)C(=O)O	EMOLS-id_71457558,PC-id_121650490,MCULE-8227295473	337.434	SLWPWTBOKURRDB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066046
COC(=O)[C@@]1(C[C@H](C1)O)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_319863646	337.434	ZOLLGNPPOADRQO-LAUQKZGBSA-N	00001000100000000100000000000010000000000000000000000000	31-01-066047
COC(=O)c1c(NC(=O)C2CCOCC2)sc2c1CCCCC2	PC-id_71894306,ZINC22_78899873,EMOLS-id_44532487,MCULE-4730053304	337.434	PDPAOINFYDBHOZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-066048
COC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCCCC2	ZINC22_461715,PC-id_888005,CoCoCo_908393	337.434	BWUNMYRCAQWHPZ-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066049
COC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCCCC2	ZINC22_4904712,CoCoCo_908394,PC-id_6544885	337.434	BWUNMYRCAQWHPZ-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066050
COC(=O)C1OCCN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110204327	337.434	HEBXOHSNEGRVJG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066051
O=C(c1cc2c(s1)CCCCC2)NCC1(CCOCC1)C(=O)O	MCULE-1005929988,EMOLS-id_57199781,PC-id_120542970	337.434	FNTWPXHEKRVIBA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-066052
O=C(c1sc2c(c1)CCCCCC2)N1CCC(CC1)(O)C(=O)O	PC-id_119250756	337.434	MTVRSARTWVBZHZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-066053
O=C(c1sc2c(c1)CCCCCC2)NC1(CCOCC1)C(=O)O	EMOLS-id_71448636,PC-id_121650128,MCULE-5148781312	337.434	FNIUMYCHNWXORV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-066054
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COC1CCC(CC1)NC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101598585	337.48	SSWZOQJCNUOADU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066210
COC1(C)CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99761039	337.48	LZBBTTVJQYTSJS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066211
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COCC1(C)CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110734020	337.48	ZQUVQCVLQXZFQT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066216
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c12C(CCCCn1nnn2)C(=O)NCCCSC1CCCCC1	EMOLS-id_49643470,MCULE-1571261709,PC-id_74232311	337.483	MHTCCRBJRPJIIF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066235
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CCCSC1	EMOLS-id_111684754	337.483	ULWQLKIYPXCVBF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066236
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CSC1(C)C	EMOLS-id_97966006	337.483	RGCXEVBUTXXSEX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-066237
CN1CCN(C(C1)CNC(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_110869172	337.483	SMWDBCZBGGOGRR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066238
O=C(CC1NCCSC1)NCCCc1nnc2n1CCCCC2	EMOLS-id_301942258,PC-id_119941820,MCULE-1898451331	337.483	PKTVLSKKUKIWNI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066239
O=C(N1CCCc2c(C1)cnn2C)NCC1(CSCC1)N(C)C	EMOLS-id_101719224	337.483	LGRAFUKJHDZBBP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-066240
O=C(Nc1sc2c(n1)CCCCCC2)NCCN1CCNCC1	EMOLS-id_101827011	337.483	SDCIHDNZYBNNRX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066241
O=C(NCCCSC1CCCCC1)[C@@H]1CCCCn2nnnc12	PC-id_97867354,ZINC22_97288781	337.483	MHTCCRBJRPJIIF-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066242
O=C(NCCCSC1CCCCC1)[C@H]1CCCCn2nnnc12	PC-id_97867355,ZINC22_97288782	337.483	MHTCCRBJRPJIIF-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066243
S(c1n2CCCCCc2nn1)CC(=O)NC1CCN(CC1)CC	PC-id_34392336	337.483	BFNJWVSCHPMADA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066244
CCCCCc1cc(c2-c1c(ccc(c2)C(C)C)C)C=CC(C)N=O	PC-id_88007108,SCHEMBL6536645	337.498	DJUZAJXLYZSPJM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-066245
COCC[N@@H+]1CCCN(CC1)C(=O)c1cc2c(s1)CCCCC2	GD-id_ZINC48251630,PC-id_52284021	337.5	HVEAGFWSZZOKFJ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-066246
s1c2CCCCCc2cc1C(=O)NNC(=S)NC1CCCC1	PC-id_9147097	337.503	ACHMNSFGJNUIOH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066247
s1c2CCCCCCc2cc1C(=O)NNC(=S)NCC(=C)C	PC-id_8788565	337.503	VPPKKTKDAIHCQF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066248
O=C(OC(C)(C)C)Nc1csc2c1CCCCCCCCCC2	PC-id_121601761	337.52	LRKSABBRPHYZFB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066249
C=Cc1c(/C=CC(C(C)C)C)n(c2c1C=CC(C=C2)(C)CC)C(C)C	PC-id_145233216	337.541	UACMPIFWSOXFJF-QXMHVHEDSA-N	00000000100000000110000000000010000000000000000000000000	31-01-066250
CCCCCc1cc(c2-c1c(C)ccc(c2)C(C)C)C=NC(C)(C)C	SCHEMBL6536141,PC-id_69817205	337.541	RTVZARJWNDZJFQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-066251
c1(NC(=O)C(Cl)(Cl)Cl)sc2c(CCCCC2)c1C#N	CoCoCo_6730630,STOCK2S-27099,MCULE-2756027621,GD-id_ZINC04155263,EMOLS-id_2757743,TIMTEC550879,ZINC22_4155263,PC-id_4356105	337.653	XMHVOTLWRFQSKV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066252
O=C1C=CC(=O)Oc2n(O1)cc(n2)CSc1ncccc1Cl	PC-id_145804332	337.738	DVNZMAZAIVBXKQ-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-066253
CCOC(=O)Cn1c(=O)c(c2-c1ccc(cc2)Cl)C(=O)OCC	SCHEMBL11273165,PC-id_12852677	337.755	SUQUGBIQTFOMSZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-066254
O=C([C@H](O)Cc1c(F)cccc1Cl)N1CCCc2occc2C1	ZINC22_356571009	337.773	WNNRPDKBHHFAFP-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066255
OC(C(=O)N1CCCc2c(C1)cco2)Cc1c(F)cccc1Cl	EMOLS-id_316820719,MCULE-9930463323	337.773	WNNRPDKBHHFAFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066256
c12CN(CCCn1nc(CO)c2)C(=O)Cc1ccc(cc1Cl)F	EMOLS-id_55642648,MCULE-9460198810,PC-id_91774106	337.776	XZAZZKJJDRVUQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066257
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1ccc(cc1Cl)F	EMOLS-id_319630103	337.776	APSPJBDTWSXADQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066258
COc1cc(Cl)c(c(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)F	EMOLS-id_318895043	337.776	UJFBAQIPVCXNLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066259
COc1cc(F)c(c(c1)Cl)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319583269	337.776	RSEDASBQHQCQET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066260
Cc1cc(F)c(c(c1)Cl)NC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-4721625084,EMOLS-id_320262667	337.78	RDPQTSXBGKGZKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066261
Nc1cc2n(n1)CCCN(C2)C(=O)Nc1cc(C)c(cc1Cl)F	EMOLS-id_319875043,MCULE-9826035315	337.78	FIXJKRNJYHXOIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066262
O=C(N1CCCn2c(C1)cc(n2)N)NCc1cccc(c1F)Cl	EMOLS-id_319826948	337.78	RQFMFONQEOOANT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066263
O=C(NCc1nnc2n1CCCCC2)Nc1ccc(Cl)c(F)c1	MCULE-2436967638,EMOLS-id_31984066,PC-id_51082683,ZINC22_48477220	337.78	DYYSLWGGMDCTDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066264
N#Cc1cccc(c1Cl)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320009104,MCULE-5574219578	337.785	VMIAYMZEVNSGLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066265
CC(C)CC(C(=O)OC)NC(=O)c1cc2c(o1)CC=CC(=C2)Cl	SCHEMBL20404309,PC-id_135244716	337.798	PSBNGTHMENZMSH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-066266
c12C(CCCCn1nnn2)C(=O)NCCn1c(C)c(c(C)n1)Cl	EMOLS-id_43201237,MCULE-2994250009,PC-id_56876405	337.808	MSYDHUMLMDVMGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066267
Cc1nn(CCNC(=O)[C@@H]2CCCCn3nnnc23)c(C)c1Cl	ZINC22_71759733,PC-id_95556029	337.808	MSYDHUMLMDVMGR-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066268
Cc1nn(CCNC(=O)[C@H]2CCCCn3nnnc23)c(C)c1Cl	ZINC22_71759734,PC-id_95556030	337.808	MSYDHUMLMDVMGR-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-066269
CC(O)c1cc2CN(Cc3c(Cl)ccc(C)c3F)CCCn2n1	MCULE-6101514876,EMOLS-id_55604706,PC-id_91760668	337.82	GSYXHVZRTHWOTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066270
Clc1ccc(c(c1CN1CCCn2c(C1)cc(n2)[C@H](O)C)F)C	PC-id_99970777	337.82	GSYXHVZRTHWOTO-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066271
Clc1ccc(c(c1CN1CCCn2c(C1)cc(n2)[C@@H](O)C)F)C	PC-id_99970779	337.82	GSYXHVZRTHWOTO-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066272
Clc1ccc(CN2CCc3c(sc(OC(=O)O)c3)CC2)cc1	PC-id_70555209	337.821	HLOXFEKHNSEIGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066273
Clc1c(CN2CCc3c(sc(OC(=O)O)c3)CC2)cccc1	PC-id_70556741	337.821	DZJRTOTXTZIAOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066274
Clc1cc(sc1)C(=O)c1n2c(C(CCCC2)C(=O)O)cc1C	PC-id_20483959,SCHEMBL11201240	337.821	USGRAFWEDBHZAL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-066275
Clc1sc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2C)cc1	SCHEMBL11195355,PC-id_20484256	337.821	RLMZFMQHDNGSRN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-066276
Clc1ccc(s1)[C@@H]1C[C@H]1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102177950	337.828	ODHLRCDUSLRPQP-VXRWAFEHSA-N	00100000100100000101100000000010000000000000000000000000	31-01-066277
Clc1ncccc1NC(=O)CSc1n2CCCCCc2nn1	PC-id_7876682	337.828	RDOVNCHJLRQMCD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066278
CCOC(=O)N1CCc2c(CC1)c(c(s2)S(=O)(=O)Cl)C	SCHEMBL3001768,PC-id_87464418	337.843	WTJLDSURNUDLJD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066279
ClCS(=O)(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_63663865	337.843	HRRMDESSSBPXBX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066280
CCC(c1nnc2n1CCCCC2)NC(=O)N1CCC=C(C1)Cl	EMOLS-id_316628767	337.848	MVDCCDXZQHNNPQ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-066281
Clc1nc(Sc2nnc3n2CCCCC3)c2c(n1)scc2	PC-id_103322926	337.851	HBFFUVORANQNFX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066282
c1(C(O)C2CC2)cc2n(CCCN(Cc3ccc(Cl)s3)C2)n1	PC-id_91763564,EMOLS-id_55612783,MCULE-2624643140	337.868	RPOFLMLGXUOVEN-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-066283
Clc1ccc(s1)CN1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O	PC-id_100019124	337.868	RPOFLMLGXUOVEN-MRXNPFEDSA-N	00100000100100000101000000000010000000000000000000000000	31-01-066284
Clc1ccc(s1)CN1CCCn2c(C1)cc(n2)[C@H](C1CC1)O	PC-id_100019128	337.868	RPOFLMLGXUOVEN-INIZCTEOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-066285
Clc1nc(N2CCCC2)sc1CN1CCCn2cncc2C1	ZINC22_72129730,EMOLS-id_43072255,MCULE-4897060897,PC-id_56885792	337.871	PJDSCKKKFKLUFI-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-066286
Clc1n(nc(c1C[NH2+]Cc1n2CCCCCc2nn1)C(C)C)C	PC-id_51963718	337.871	ZHJPJSAHMWKDBA-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-066287
Clc1ccc(C[NH+](Cn2nc3n(CCCCC3)c2=S)C)cc1	PC-id_25702532	337.891	CKVQIGDVOLQICI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-066288
ClC/C=C
/CN(CC=C(C)C)CCn2c1c([nH]c2=S)C(=C)C	PC-id_142101553	337.911	KYZBKTOYQMNOMR-RZNTYIFUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066289
Brc1c2C(O)CC(NC(=O)c2[nH]c1Br)C	SCHEMBL3425064,PC-id_59789191	337.996	ZXAHDLMSXRLLDA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066290
CC1=C2CCCCCN2N=C1COPI	PC-id_155019715	338.004	VOIQGAUOJKIQCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066291
CC1CC(Br)c2c(C(=C1C)Br)nsn2	PC-id_142977763	338.062	HPYFCLZTOIKCOG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-066292
CCCC(=C)[Sn]c1nn(c2c1CCCCC2)C	PC-id_163821826	338.08	NWBOLZBAPQFAAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066293
CCC1C=C(O)c2n(N=C1C(F)(F)F)c(cn2)CBr	PC-id_138576373,SCHEMBL20934608	338.124	MXNZFYGHCDQBSD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-066294
Brc1ccc2-c(c(c(N)c2C(=O)OC)C(=O)OC)cc1	PC-id_85835389	338.153	OBNZXPZJQCDWQO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-066295
COC(=O)c1c(N)c(c2-c1cc(Br)ccc2)C(=O)OC	PC-id_102239333	338.153	WENKQNMMQPRVAH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-066296
CN1CCC2=C(C=C(S2)C(=O)N3CC(C(C3)OC)[NH-])C(C1)OC	PC-id_161120431	338.154	UKWMBRUCHLIFEA-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066297
P(PP)(P)n1nnc2OCCN(CCCC)C(=O)c12	PC-id_20872180	338.16	NRVGEHINWPZJFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066298
C1CC2=C(C(=CO2)C(=O)N(CCC3=CC=CC=C3)C4CC4)C(=O)NC1	PC-id_154769885,EMOLS-id_317367556,MCULE-1221484612	338.163	GCYZSKZRKKCJQA-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-066299
Brc1cc(c(o1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_112009721	338.2	ZNIBTGJCSDSOBV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066300
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(c(o1)Br)C	EMOLS-id_318776992	338.2	IJLXIWALTZRXAH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066301
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(oc1C)Br	EMOLS-id_319402756	338.2	FOSKVAJPEFJNBU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066302
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1oc(cc1C)Br	EMOLS-id_318957883	338.2	NKPWOOYHKLGIED-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066303
Brc1cnn(c1)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670121	338.203	CSJROIUDPLURAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066304
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]nc(c1Br)C	EMOLS-id_318989961	338.203	NCGSQGPCIKEXFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066305
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ncc(c1)Br	EMOLS-id_318971767	338.203	GBMZLSFPEYLJSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066306
Cn1ncc2c1CCCN(C2)C(=O)c1c(Br)cnn1C	EMOLS-id_101679992	338.203	JPJPBLZTKPAVLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066307
Cn1nc(c(c1)Br)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678333	338.203	IAEUYBTWSVDUQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066308
O=C(NCc1nnc2n1CCCCC2)c1cc(Br)c[nH]1	CoCoCo_4336683,ZINC22_40475427,MCULE-9681913028,EMOLS-id_29629147,PC-id_45799579	338.203	SERZJJHJLAKYDL-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-066309
Brc1cc(Cn2cc3C(O)CCCCc3c2)ccc1F	PC-id_83208055	338.215	IXBYQEGARHRUMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066310
Brc1cc(Cn2cc3C(O)CCCCc3c2)cc(F)c1	PC-id_83208729	338.215	FSHNNDXWJDPMJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066311
Brc1cc(Cn2cc3C(O)CCCCc3c2)c(F)cc1	PC-id_83208799	338.215	UNNKVPCOHJFNRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066312
Brc1cc(F)c(Cn2cc3C(O)CCCCc3c2)cc1	PC-id_83208164	338.215	PNRWXUUBKLSONW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066313
Brc1c(Cn2cc3C(O)CCCCc3c2)cccc1F	PC-id_83207977	338.215	MGMVADCBGZQGOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066314
Brc1c(Cn2cc3C(O)CCCCc3c2)ccc(F)c1	PC-id_83207974	338.215	BICOWWODRZCJDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066315
C[C@@H](C(=O)N1CCCc2occc2C1)c1ccc(Cl)c(Cl)c1	ZINC22_571085354	338.228	NXFMDZSVVLYJFV-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066316
C[C@H](C(=O)N1CCCc2occc2C1)c1ccc(Cl)c(Cl)c1	ZINC22_571085355	338.228	NXFMDZSVVLYJFV-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-066317
Clc1cc(Cn2c3CCCCCc3cc2C(=O)O)ccc1Cl	PC-id_9905847	338.228	RCPAUFOBEDCQFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066318
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1Cl)Cl	EMOLS-id_319877072,MCULE-7574440975	338.232	BWSWRHVWSRSMEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066319
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c(Cl)cccc1Cl	EMOLS-id_319515463	338.232	JONWVOBFIONKMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066320
Brc1c(n(nc1C)C)Cn1cc2C(O)CCCCc2c1	PC-id_83208556	338.243	RRTHCZPHOVAPFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066321
Brc1cn[nH]c1CN1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319640701	338.246	CLCAFKIERPYSQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066322
Cc1nn(c(c1Br)NCc1cnc2n1CCCCC2)C	MCULE-8277008971,EMOLS-id_318677354	338.246	JQDFJKMAKAHYIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066323
CC(c1cc(n(n1)Cc1nnc2n1CCCCC2)Br)C	PC-id_136560748,EMOLS-id_316980854	338.246	FRCDNGNNGQKDSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066324
O=S(=O)(N1CCCc2c(C1)c[nH]n2)CC1(C)CC1(Cl)Cl	EMOLS-id_319716262	338.253	RYRYFBBLOKZBFI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-066325
Brc1c(OC2CN(CCc3c2scc3)C)cccc1	SCHEMBL2840148,PC-id_68411430	338.263	BAFAYGKXZOAWRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066326
Brc1c(OC2CN(CCc3sccc23)C)cccc1	PC-id_68423385,SCHEMBL2872457	338.263	WQNQAJLQFKGJDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066327
Brc1ccc(CSc2n3CCCCCc3nn2)cc1	PC-id_60626210	338.266	MMGYFVBKOOBYFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066328
Brc1cc(CSc2n3CCCCCc3nn2)ccc1	PC-id_47096078	338.266	KUQBXPYKWWSTMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066329
Brc1c(CSc2n3CCCCCc3nn2)cccc1	PC-id_47096077	338.266	GVOYVSILKNMQKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066330
Fc1cc(NC(=O)c2coc3c2C(=O)NCCC3)cc(c1)C(F)F	EMOLS-id_319458077	338.281	SGMBMYLZUZPODK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066331
[Se](CC1OC(=O)Nc2c(scc2)C1)c1ccccc1	PC-id_10616956	338.284	ZUDJVACNSNUSNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066332
[Na+].c12c(n(cn1)CCOc1cc(C(=O)[O-])ccc1)NC=NCC2O	CHEMBL36860	338.294	QLIYJMDAXXJSJV-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-066333
[Na+].c12c(n(cn1)CCOc1c(C(=O)[O-])cccc1)NC=NCC2O	CHEMBL288414	338.294	YSEZCPDHKIJJCB-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-066334
C1C(Cn2c(cc(n2)C(=O)NCCSC(F)(F)F)C(=O)N1)O	PC-id_135110345	338.306	UEHAPPLTBOJZSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066335
CN(C(=O)c1ccc(c(c1F)O)F)Cc1nnc2n1CCOCC2	EMOLS-id_319441162	338.309	CSKGCLCPRVULQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066336
O=Nc1nc2n(c1)CCN(CCO2)Cc1cccc(c1)OC(F)F	PC-id_145578234	338.309	CAVVYMULGRLNBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066337
FC(Oc1ccc(nc1)NC(=O)N1CCCn2c(C1)cc(n2)N)F	EMOLS-id_320124067,MCULE-1589444239	338.313	DEBLPOXPDSQXJF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066338
C#Cc1ccc(cc1)OCCCc1cn2c(n1)OC(=O)C=CC(=O)O2	PC-id_145863471	338.314	ILEMTCRSWATKFA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-066339
O=C(C1CCCn2c(C1)ccc2)Nc1ccc(cc1)OC(F)(F)F	PC-id_143775135	338.324	GPVRUMNIEADYOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066340
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(cnc1C)C(F)(F)F	MCULE-5415734177,EMOLS-id_320084478	338.328	USRGFZNVTDFPRD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066341
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cccc(n1)C(F)(F)F	EMOLS-id_319460608	338.328	AFZYLODTEUTYOJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066342
Fc1ccc(NC(=O)CCc2cc3CNCCCn3n2)c(F)c1F	ZINC22_72481490,EMOLS-id_43181887,PC-id_70786890,MCULE-3579657530	338.328	YIPAPHVIXVXLNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066343
FC(F)(F)c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266212	338.328	ANEZJGORRCEJIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066344
FC(F)(F)c1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_51266213	338.328	GOTNURGWYCLBIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066345
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1ccncc1	PC-id_19527319	338.328	TZQRISIBSUHILH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066346
O=C1NCC(Cc2c1cn(n2)Cc1ncccc1C(F)(F)F)(C)C	EMOLS-id_318159891	338.328	GWCQDTNNLROTBT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066347
O=C(c1ccc(nc1C)C(F)(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_101669341	338.328	FNWZEVHFSBZRRQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066348
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1CC(F)(F)F	EMOLS-id_278158865	338.328	IASJYLAMGAJGMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066349
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)CC(F)(F)F	EMOLS-id_319306828	338.328	XYDPFGPKJCEEBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066350
O=C(C1CCn2c(CC1)nnc2)Nc1cc(ccc1C)C(F)(F)F	EMOLS-id_320210453,MCULE-7050316509	338.328	HGRBSHPLSCHAME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066351
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)C(F)(F)F)C	MCULE-5323704115,EMOLS-id_320164688	338.328	USZGJAIAEADBAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066352
O=C(C1CCn2c(CC1)nnc2)NCc1ccccc1C(F)(F)F	EMOLS-id_319342835	338.328	LHJBTZBWFZHINQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066353
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(cc1)C(F)(F)F	EMOLS-id_101845900	338.328	ZWQRTSAHGKDNEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066354
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1C(F)(F)F	EMOLS-id_101845906	338.328	YQOMNYOZQDPWHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066355
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)C(F)(F)F	EMOLS-id_101956619	338.328	TXPJLLIRGDXDGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066356
c12C(=O)NCCCc1nc(NC(=O)Nc1c(cccc1F)F)s2	EMOLS-id_48619074,ZINC22_96124414,MCULE-6461091926,PC-id_72720034	338.332	VXFCFWDLQDGNKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066357
C1CCc2nnc(n2CC1)C(C#N)C(=O)c1cc2c(o1)ccc(c2)F	EMOLS-id_49969264,MCULE-7046465315,PC-id_86804091	338.336	SACQLBUNXMCGGC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066358
N#C[C@H](C(=O)c1cc2cc(F)ccc2o1)c1nnc2n1CCCCC2	PC-id_97820890,ZINC22_97103746	338.336	SACQLBUNXMCGGC-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066359
N#C[C@@H](C(=O)c1cc2cc(F)ccc2o1)c1nnc2n1CCCCC2	ZINC22_97103747,PC-id_97820891	338.336	SACQLBUNXMCGGC-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066360
C1Cn2cc(nc2OCCN1S(=O)(=O)c1ccccc1)[N+](=O)[O-]	PC-id_89580073,SCHEMBL14965648	338.339	ZZSVOANRPZLHKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066361
C1CN(CCC1CN1CCn2cc(nc2OCC1)[N+](=O)[O-])C(=O)[O-]	SCHEMBL14965606,PC-id_89580045	338.339	HZEDRCZYFQJKPJ-UHFFFAOYSA-M	00000000100010000101000000000010000000000000000000000000	31-01-066362
O=C(NCCSc1nnc2n1CCCCC2)OCC(F)(F)F	PC-id_56785083,ZINC22_68043572,EMOLS-id_36966366,MCULE-6612371788	338.349	CJINFEYCLLCHHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066363
COc1cc(cc(c1OC)OC)C(=O)c1ccc2-c1ccc(cc2)O	SCHEMBL13931943,PC-id_57574844	338.354	VXPYNZKXIOZVIN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-066364
Fc1ccc(nc1)S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_112090166	338.357	BOIPIGHGYHQLKN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066365
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)c1ncccc1F	EMOLS-id_112060054	338.357	BKQALFOGMRPTHR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066366
c1(C(=O)N)cn2c(CCN(CC2)C(=O)c2cccc3C(=O)CCc23)n1	EMOLS-id_331104053,MCULE-8688469778,ZINC22_1875249176	338.361	JTCRXHZWKCLECV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066367
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)C(=O)N(C2=O)C	MCULE-4356749469,EMOLS-id_320071285	338.361	IPKZSWRJAZHMMQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066368
O=C(N1CC(COc2cccnc2)Cn2ccnc2C1)c1ccoc1	EMOLS-id_44325985	338.361	HMJQIGKLEDAOHI-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066390
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc([nH]c1=O)c1ccco1	EMOLS-id_318830242	338.361	FCZXGAMUUQHOGY-UHFFFAOYSA-N	00000000101000101101100000000010000000000000000000000000	31-01-066369
Cc1nnc2CCN(CCn12)C(=O)c1ccc(Oc2ccccc2)o1	EMOLS-id_20525259,PC-id_42370459,ZINC22_12039315,CoCoCo_1307889,MCULE-1489790730	338.361	AIJKKWOIDWTCJR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-066370
CN1C(=O)c2c(C1=O)cc(cc2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101669218	338.361	FCXDDDGDCGEFQL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066371
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)c1ccco1	EMOLS-id_50590093,MCULE-1437836461,PC-id_91922507	338.361	GKWSRFAEIZQWOM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-066372
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)c1ccoc1	EMOLS-id_50585955,MCULE-7960221471,PC-id_91910695	338.361	GDWSTKUWOYCZFC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-066373
N#C/C(=Cc1ccccc1OCC(=O)O)/c1nnc2n1CCCCC2	CoCoCo_3456365,PC-id_8275306	338.361	RBPQJLJMYOOAFY-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066374
N#C/C(=C/c1ccccc1OCC(=O)O)/c1nnc2n1CCCCC2	CoCoCo_3456366	338.361	RBPQJLJMYOOAFY-UVTDQMKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066375
N#CC(=Cc1ccccc1OCC(=O)O)c1nnc2n1CCCCC2	EMOLS-id_26092883,MCULE-7447236297,PC-id_72084737	338.361	RBPQJLJMYOOAFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066376
O1c2cc(C=C(c3n4CCCCCc4nn3)C#N)cc(OC)c2OC1	PC-id_78650385	338.361	NXELXHHAQAIPRJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066377
O1c2cc(/C=C(/c3n4CCCCCc4nn3)C#N)cc(OC)c2OC1	PC-id_8275482	338.361	NXELXHHAQAIPRJ-NTUHNPAUSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066378
Oc1cccc(c1)c1onc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318350471	338.361	QDDGHUGDBGSYSH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066379
O(c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1)CC(=O)O	PC-id_78565666	338.361	KHLTZVOOKWXOTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066380
O(c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)CC(=O)O	PC-id_7911817	338.361	KHLTZVOOKWXOTC-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066381
O=C1N(C=Cc2[nH]c(nc2C1=Cc1ccc(OC)cc1)N(C)C=O)C	PC-id_25215800	338.361	UDPZHAQPLSRXPF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-066382
O=C(c1ccco1)N1Cc2ccnn2C[C@@H](COc2cccnc2)C1	PC-id_97463546,ZINC22_96189134	338.361	BYFDJCXDVIYKHN-AWEZNQCLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066383
O=C(c1ccco1)N1Cc2ccnn2C[C@H](COc2cccnc2)C1	ZINC22_96189135,PC-id_97463547	338.361	BYFDJCXDVIYKHN-CQSZACIVSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066384
O=C(c1ccco1)N1Cc2nccn2C[C@H](COc2cccnc2)C1	PC-id_97389206,ZINC22_96066871	338.361	VRYXBPBXLWVIID-AWEZNQCLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066385
O=C(c1ccco1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	ZINC22_96066870,PC-id_97389205	338.361	VRYXBPBXLWVIID-CQSZACIVSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066386
O=C(c1ccoc1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	PC-id_97462414,ZINC22_96187966	338.361	HMJQIGKLEDAOHI-CQSZACIVSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066387
O=C(c1ccoc1)N1Cc2nccn2C[C@H](COc2cccnc2)C1	PC-id_97462415,ZINC22_96187967	338.361	HMJQIGKLEDAOHI-AWEZNQCLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066388
O=C(N1CC(COc2cccnc2)Cn2ccnc2C1)c1ccco1	EMOLS-id_46160487	338.361	VRYXBPBXLWVIID-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066389
O=C(N1CC(COc2cccnc2)Cn2nccc2C1)c1ccco1	EMOLS-id_44327071	338.361	BYFDJCXDVIYKHN-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066391
O=C(Nc1ccc(n2ccc(O)n2)cc1)c1noc2c1CCCCC2	MCULE-3359841020,EMOLS-id_316337285,ZINC22_629379428	338.361	PSUWHYIPKWNEOX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066392
O=C(OCc1ccc(n2ccnc2)nc1)c1noc2c1CCCCC2	MCULE-3044631466,PC-id_86803323,EMOLS-id_49967004,ZINC22_97103254	338.361	BWWHKCNKTKNPJD-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066393
CCCN1C(=O)NCC(=O)NCC(=O)NCc2oc(C1CC)nn2	SCHEMBL18652956	338.362	PLBVZKFDGMCROB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066394
c12C(CCCCn1nnn2)C(=O)NCc1coc(c2ccccc2)n1	MCULE-8558263731,EMOLS-id_232847768	338.364	HQEQVQFCYYCQBS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066395
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1onc(c3ccccn3)n1)n2	PC-id_50971151,ZINC22_65433022,EMOLS-id_232800798,MCULE-8694836177	338.364	MPTDKLJAZICPPH-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066396
C1CCc2nnc(n2CC1)C(=O)NCc1cc(no1)c1cnccc1	PC-id_90648371	338.364	NFCBEAIXCBLHHM-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066397
c1(C(=O)NCc2nnc(c3ccccc3)o2)nnc2CCCCCn12	EMOLS-id_49889833,ZINC22_216041470,MCULE-9639109981,PC-id_77092032	338.364	WFMQSZIKEBASSQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066398
c1(C(=O)NCc2onc(c3ccccn3)c2)cn2c(CCNCC2)n1	EMOLS-id_330473784,MCULE-8180123931,ZINC22_1857732818	338.364	ILCZVPVRFLPWBT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066399
c1(C(=O)O)cc2n(CCCN(Cc3cccn3c3ncccn3)C2)n1	EMOLS-id_32375978,ZINC22_65375323,MCULE-4875773067,PC-id_50952265	338.364	MYLHLNUQVXBNOE-UHFFFAOYSA-N	00000000110000100101100000000010000000000000000000000000	31-01-066400
N#CC(c1nnc2n1CCCCC2)C(=O)c1cccc(c1)NC(=O)N	MCULE-6996555814,EMOLS-id_35745029,PC-id_53543352	338.364	DPILWTKGGJQJOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066401
N#C[C@H](C(=O)c1cccc(NC(=O)N)c1)c1nnc2n1CCCCC2	PC-id_95048439,ZINC22_64101980	338.364	DPILWTKGGJQJOE-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066402
N#C[C@@H](C(=O)c1cccc(NC(=O)N)c1)c1nnc2n1CCCCC2	PC-id_95147794,ZINC22_65529168	338.364	DPILWTKGGJQJOE-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066403
O=C(c1ccc[nH]1)N1CCCn2c(C1)c(COc1cccnc1)nn2	PC-id_97405227	338.364	XASBMKJSNOGZKS-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-066404
O=C(c1ccc[nH]1)N1CC(Cn2c(C1)ncc2)Cn1ncccc1=O	PC-id_118739337	338.364	DUEVOFQODTWPLQ-UHFFFAOYSA-N	00000000110000100101000000000010000000000000000000000000	31-01-066405
O=C(C1CCn2c(CC1)nnc2)NCc1onc(n1)c1ccccc1	MCULE-5717263528,EMOLS-id_320002251	338.364	GCGBUHAJDPQFFU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066406
O=C(c1cc[nH]c1)N1CCCn2nnc(COc3ccccn3)c2C1	ZINC22_1565547082,EMOLS-id_313783195	338.364	KCIRNOXGUFHBAN-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-066407
O=C(c1cc[nH]n1)N1CCCn2cnc(COc3cccnc3)c2C1	ZINC22_96259985,EMOLS-id_44371502,PC-id_97520065	338.364	XMGKHUHPEDYYPA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066408
O=C(c1c[nH]nc1c1cccnc1)N1CCCn2nc(CO)cc2C1	ZINC22_1875297538	338.364	VULAFWZPSPQIPI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066409
O=C(c1noc2c1CCCCC2)Nc1cccc(c1)c1nnnn1C	EMOLS-id_100948263	338.364	IQXGNINQYYEXIL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066410
O=C(Nc1ccccc1Cc1nn[nH]n1)c1noc2c1CCCCC2	ZINC22_2325806579	338.364	YPAOBARXPBSBSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066411
O=C(Nc1ccccc1)O/N=c/1c(C)nc2c(nc1C)n(nc2C)C	PC-id_102003428	338.364	MRJSGFPASYNMPZ-HYARGMPZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-066412
O=C(NCc1coc(c2ccccc2)n1)[C@H]1CCCCn2nnnc12	ZINC22_827731811	338.364	HQEQVQFCYYCQBS-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066413
O=C(NCc1coc(c2ccccc2)n1)[C@@H]1CCCCn2nnnc12	ZINC22_827731813	338.364	HQEQVQFCYYCQBS-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066414
O=C(NCc1nnc2n1CCCCC2)c1cc(c2cccnc2)on1	ZINC22_46913310,PC-id_46492701,EMOLS-id_31993105,MCULE-6627221616	338.364	UKMMIOVLQYRFRR-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066415
O(/N=c/1c(nc2n(nc(c2nc1C)C)C)C)C(=O)Nc1ccccc1	PC-id_10544975	338.364	MRJSGFPASYNMPZ-HMAPJEAMSA-N	00000000100000110111000000000010000000000000000000000000	31-01-066416
O(N=c1c(nc2n(nc(c2nc1C)C)C)C)C(=O)Nc1ccccc1	PC-id_85179535	338.364	MRJSGFPASYNMPZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-066417
[O-][N+](=O)c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1NC	PC-id_40031181	338.364	ILMKFPKRRDNIBV-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066418
[O-][N+](=O)c1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1NC	PC-id_74671781	338.364	ILMKFPKRRDNIBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066419
c12C(CCCCn1nnn2)C(=O)NCc1ccc(cc1)n1cncn1	EMOLS-id_68875696,PC-id_118763567,MCULE-5336392727	338.367	CYFBCBFAHSIXMY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066420
c1(C(=O)NCc2cccnc2n2cncn2)cn2c(CCNCC2)n1	EMOLS-id_330453268,ZINC22_1857721953,MCULE-3756914449	338.367	OCPDLOJIESEUNP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066421
c1(C(=O)NCc2[nH]nc(c3ccncc3)n2)nnc2CCCCCn12	ZINC22_670452157,MCULE-9204478244,EMOLS-id_222769797	338.367	UOGJCNDBQXODCL-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066422
Cc1cnnn1Cc1nnn2c1CN(C(=O)c1cccnc1)CCC2	PC-id_97519648,EMOLS-id_44370680,ZINC22_96259566	338.367	INORMBKVBBUJHV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066423
OC1c2ncn(CCc3c(ccc(c3)C3N=NN=N3)C)c2NC=NC1	PC-id_9880972	338.367	IDDUTISIJUBBIU-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-066424
O=C(NCc1ccc(n2cncn2)cc1)[C@H]1CCCCn2nnnc12	ZINC22_299767133	338.367	CYFBCBFAHSIXMY-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066425
O=C(NCc1ccc(n2cncn2)cc1)[C@@H]1CCCCn2nnnc12	ZINC22_299767134	338.367	CYFBCBFAHSIXMY-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066426
O=C(NCc1nnc2n1CCCCC2)c1ccnc(n2cncn2)c1	ZINC22_53792822,MCULE-9996693317,EMOLS-id_48778826,PC-id_51091746	338.367	SNYYYSHNZNWGCQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066427
Cc1cc(ccc1CNCc1nnc2n1CCCCC2)C(F)(F)F	EMOLS-id_318064949,MCULE-4958336175	338.371	MJZWPAOQTVWDMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066428
Cc1cc(CNCc2nnc3n2CCCCC3)ccc1C(F)(F)F	MCULE-7485209071,EMOLS-id_318304612	338.371	FNNSEPVWOBYPHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066429
CC(c1ccccc1C(F)(F)F)NCc1nnc2n1CCCCC2	EMOLS-id_318288058	338.371	MHNDICSALTUXAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066430
CC(C)c1nnc2CCN(Cc3ccc(cc3)C(F)(F)F)CCn12	CoCoCo_1173768,EMOLS-id_24852437,ZINC22_23153334,CoCoCo_1173769,MCULE-7390402898,PC-id_30876719	338.371	FHXRFBMCVCQCJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066431
CC(C)c1nnc2CCN(Cc3cccc(c3)C(F)(F)F)CCn12	ZINC22_23153686,EMOLS-id_24853021,CoCoCo_1193515,PC-id_30877176,CoCoCo_1193516,MCULE-1123459921	338.371	HYLCKMWHFMRFCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066432
Fc1ccc(c(c1)F)OCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319606006	338.372	HWZWBEDNRNETGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066433
Fc1cc(OCC(=O)N2CCCCc3c2sc(n3)C)cc(c1)F	EMOLS-id_318799320	338.372	YCWOYISXIXDKIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066434
FC(Oc1ccc(cc1)C(=O)N1CCCCc2c1sc(n2)C)F	EMOLS-id_319362793	338.372	UYVKDEZKGOZEKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066435
O=C(Nc1nc2c(s1)CCCCC2)c1cccc(OC(F)F)c1	PC-id_17524366,CoCoCo_4546048,MCULE-2082434177,ZINC22_12757567,EMOLS-id_16746340	338.372	OUJGDSNQYIIIJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066436
s1c2CCCCCc2nc1NC(=O)c1ccc(OC(F)F)cc1	PC-id_46699283	338.372	QXABQNGQXSUQLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066437
s1c2CCCCCc2nc1NC(=O)c1c(OC(F)F)cccc1	PC-id_29859325	338.372	MZFVWYDZDKUOII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066438
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc(F)c(F)cc1	PC-id_7877390	338.376	PZOFOCHLSMCRHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066439
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(F)cccc1F	PC-id_7877407	338.376	SGNUUOYOPWGALN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066440
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(F)ccc(F)c1	PC-id_7876683	338.376	KWCVJVLTAUYVEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066441
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(F)cc(F)cc1	PC-id_7877395	338.376	XKCBUIIJZFHVJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066442
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c[nH]cc1c1ccc(cc1)F	EMOLS-id_320218559,MCULE-6604655082	338.379	GTJKTIQJBMZMPE-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-066443
Cc1oc(c(c1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_112072333	338.379	KMMXKSWECNIGFN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066444
C/C(=CC(=O)[C@H](C#N)c1nnc2n1CCCCC2)/c1ccccc1F	PC-id_98432235,ZINC22_103276697	338.379	RBFGZUTULMLCFP-FQNOHDAGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066445
C/C(=CC(=O)[C@@H](C#N)c1nnc2n1CCCCC2)/c1ccccc1F	ZINC22_103276695,PC-id_98432234	338.379	RBFGZUTULMLCFP-HFBDAHEESA-N	00000000100000110101000000000010000000000000000000000000	31-01-066446
Fc1c(C(=CC(=O)C(c2n3CCCCCc3nn2)C#N)C)cccc1	PC-id_51099368,MCULE-8174927109,EMOLS-id_32132239	338.379	RBFGZUTULMLCFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066447
Fc1c(/C(=C/C(=O)C(c2n3CCCCCc3nn2)C#N)/C)cccc1	PC-id_73951763	338.379	RBFGZUTULMLCFP-ACCUITESSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066448
N#C[C@@H](c1nnc2n1CCCCC2)C(=O)/C=C(c1ccccc1F)/C	PC-id_94811778	338.379	RBFGZUTULMLCFP-BMOGTNHUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066449
N#C[C@H](c1nnc2n1CCCCC2)C(=O)/C=C(c1ccccc1F)/C	PC-id_94811779	338.379	RBFGZUTULMLCFP-HVCHUGMYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066450
CCOc1cccc(O)c2-c1c([n+](c2C)NC(=O)c1ccncc1)C	ZINC22_6784190,GD-id_ZINC06784190,PC-id_40641570	338.38	FUJUSWRRBGCWTK-UHFFFAOYSA-O	00000010100000101110000000000010000000000000000000000000	31-01-066451
CN(C)C(=O)NCc1nnc2CN(CCCn12)C(=O)C1(F)CCC1	ZINC22_1565546799,EMOLS-id_313729494	338.381	ALIMQSGGLGPOFS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-066452
CC1Cc2c(CN(C1)S(=O)(=O)c1c[nH]c(c1)C(=O)OC)cn[nH]2	EMOLS-id_316972403,MCULE-1811990044,PC-id_136560623	338.382	CPXQVEHCBSAEKH-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-066453
Cc1noc(C)c1S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2	MCULE-9596118842,ZINC22_190750553,EMOLS-id_112056926	338.382	JGOMCJFHEMONIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066454
Cn1nc(c(c1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_111958156	338.382	BKDWJGRRDXCFPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066455
COc1cc(ccc1OC)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320214255,MCULE-4497791726	338.382	MKBOKIQHHLODSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066456
COc1ccc(cc1)S(=O)(=O)N1CCc2nn(C)c(=O)n2CC1	EMOLS-id_239629105,MCULE-8227880896	338.382	RPSDJSYXQUAMJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066457
COc1cc(OC)cc(c1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320314901,MCULE-5259985358	338.382	MKHIESDAVURQFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066458
COC(=O)c1cc(S(=O)(=O)N2Cc3c[nH]nc3C[C@@H](C)C2)c[nH]1	ZINC22_1475684756	338.382	CPXQVEHCBSAEKH-SECBINFHSA-N	00000000110000000101000000000010000000000000000000000000	31-01-066459
COC(=O)c1cc(S(=O)(=O)N2Cc3c[nH]nc3C[C@H](C)C2)c[nH]1	ZINC22_1475684757	338.382	CPXQVEHCBSAEKH-VIFPVBQESA-N	00000000110000000101000000000010000000000000000000000000	31-01-066460
CS(=O)(=O)N1Cc2ccnn2C[C@H](CNC(=O)c2ccco2)C1	ZINC22_247503938	338.382	GKKCLPZHCZZRDY-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066461
CS(=O)(=O)N1Cc2ccnn2C[C@@H](CNC(=O)c2ccco2)C1	ZINC22_247503942	338.382	GKKCLPZHCZZRDY-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-066462
CS(=O)(=O)N1CC(CNC(=O)c2ccco2)Cn2nccc2C1	EMOLS-id_50374215	338.382	GKKCLPZHCZZRDY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066463
CS(=O)(=O)NCc1cnc2CCN(CCn12)C(=O)c1ccoc1	ZINC22_96197024,EMOLS-id_44328981,PC-id_97467168	338.382	ODWKFUIIZGTPOB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066464
CS(=O)(=O)NCC1CN(Cc2ccnn2C1)C(=O)c1ccoc1	EMOLS-id_50373237	338.382	JDGUAQKNYFPWLI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066465
CS(=O)(=O)NC[C@@H]1CN(C(=O)c2ccoc2)Cc2ccnn2C1	ZINC22_247513471	338.382	JDGUAQKNYFPWLI-LLVKDONJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066466
CS(=O)(=O)NC[C@H]1CN(C(=O)c2ccoc2)Cc2ccnn2C1	ZINC22_247513475	338.382	JDGUAQKNYFPWLI-NSHDSACASA-N	00000000101000000101000000000010000000000000000000000000	31-01-066467
Fc1cccc(c1)c1cnnc(NCc2n[nH]c3CCCCCc23)n1	MCULE-7195614422,PC-id_42097843,EMOLS-id_20420351,ZINC22_11664206,CoCoCo_1159303,CoCoCo_1159302	338.382	WLZIXJBRSHQNHZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066468
NCCOCCSC1=CC(=O)Cc2c(C1=O)c(n[nH]2)C(=O)NC	PC-id_144380152	338.382	MWNYWRBTDONHDI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-066469
O=C(c1ccco1)N1CCc2n(CC1)c(cn2)CNS(=O)(=O)C	PC-id_97467167	338.382	RCKFDUZIOZOOBN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066470
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1cnn(c1C)C	EMOLS-id_112065940	338.382	MKHRJNBLNQGLSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066471
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1nc(n(c1)C)C	EMOLS-id_112093205	338.382	ORGIYEQGVYJGGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066472
C1CC1Cn1c(=O)n2CCN(CCc2n1)S(=O)(=O)c1cnc[nH]1	PC-id_91922482	338.385	TTZNKYTXXWBURL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-066473
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@H](Oc2ncccn2)C1	ZINC22_306140216	338.385	UNCCLNOWJSFWHD-GFCCVEGCSA-N	00000000100000100101000000000010000000000000000000000000	31-01-066474
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@@H](Oc2ncccn2)C1	ZINC22_306140217	338.385	UNCCLNOWJSFWHD-LBPRGKRZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-066475
CN(C)S(=O)(=O)N1CC(Cn2nccc2C1)Oc1ncccn1	EMOLS-id_50011234	338.385	UNCCLNOWJSFWHD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-066476
O=C(c1ccc[nH]1)N1CCc2n(CC1)c(nn2)CNS(=O)(=O)C	PC-id_97410180	338.385	JFKWYTHVBNCADT-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-066477
c12CCCCCc1sc(NC(=O)c1nn3c(nccc3)n1)c2C#N	CHEMBL1470934,ChEMBL-DNDi_CHEMBL1470934,PC-id_1169238,MCULE-2478609157,BAS-03790531,CoCoCo_309332,EMOLS-id_1441525,ZINC22_923993	338.387	KLSSRSFUZAHREQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066478
c12CN(CCCn1nc(C#N)c2)C(=O)c1cccc2c1sc(n2)N	ZINC22_2100473653,MCULE-1774478068,EMOLS-id_337665466	338.387	RQEXDTGQDXWKFL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066479
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc2c(c1)nsn2	EMOLS-id_317048149	338.387	VHCCLKYGBKYADA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066480
FC(c1cccc(c1)C=CCc1nc2c(s1)CCNCC2)(F)F	PC-id_139769133	338.39	NRBBIMDTKGSIIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066481
FC1(F)CCN(CC2CCn3nccc3CN2C(=O)CC2CC2)C1	EMOLS-id_313815079	338.395	JUTLWABIBAFJNK-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-066482
O=C(CC1CC1)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1	ZINC22_585097294	338.395	JUTLWABIBAFJNK-AWEZNQCLSA-N	00100010100000000101000000000010000000000000000000000000	31-01-066483
O=C(CC1CC1)N1Cc2ccnn2CC[C@@H]1CN1CCC(F)(F)C1	ZINC22_585097296	338.395	JUTLWABIBAFJNK-CQSZACIVSA-N	00100010100000000101000000000010000000000000000000000000	31-01-066484
O(c1cc(Cc2c3-c(cc2)ccc(OC)cc3)cc(OC)c1OC)C	PC-id_57574708	338.397	MEPWULMCQZCXHQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-066485
OCCOC1(CCOCC1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_97808102	338.399	BRMCXAXACJVACD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066486
OC(=O)C(NC(=O)c1noc2c1CCCCC2)CCOC(C)(C)C	PC-id_120533708	338.399	BFFSMJQIDUNGGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066487
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)OC	PC-id_7302941	338.399	GWXJMNNGPXXNDK-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-066488
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)OCC	PC-id_4323086	338.399	KPHSUFUEWZLFOG-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-066489
s1c2c(CCCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)OC	PC-id_40557996	338.399	IUBBUNIICOSHAQ-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-066490
Cc1ccc(F)cc1S(=O)(=O)NCc1nnc2n1CCCCC2	ZINC22_40523825,CoCoCo_4883339,PC-id_45819694,EMOLS-id_31939142,MCULE-9496002131	338.4	ZYJFVBHMWGQUIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066491
Cc1ccc(F)c(S(=O)(=O)NCc2nnc3n2CCCCC3)c1	MCULE-8969577057,EMOLS-id_31939144,ZINC22_40523827,PC-id_45819695,CoCoCo_4883340	338.4	HZUPFBXVGOFOOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066492
Cc1cc(F)ccc1S(=O)(=O)NCc1nnc2n1CCCCC2	ZINC22_40490065,EMOLS-id_31878792,MCULE-8344071854,CoCoCo_4659441,PC-id_45806339	338.4	CWJFFWBPCUVHKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066493
Cc1nnc2n1CCC(CC2)N(C)S(=O)(=O)c1ccccc1F	PC-id_91910796,MCULE-2769441425,EMOLS-id_50590472	338.4	AJXUDCNYDHLMPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066494
C[C@H](NS(=O)(=O)c1cccc(F)c1)c1nnc2n1CCCCC2	ZINC22_48309039,PC-id_94179254	338.4	RUMDIWMIQGRHCK-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-066495
C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1nnc2n1CCCCC2	ZINC22_48309040,PC-id_94179255	338.4	RUMDIWMIQGRHCK-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066496
C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1nnc2n1CCCCC2	PC-id_94174218,ZINC22_48260340	338.4	YCCUELXNVRDHHA-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066497
C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1nnc2n1CCCCC2	ZINC22_48260338,PC-id_94174217	338.4	YCCUELXNVRDHHA-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-066498
CC(N(C(=O)c1noc2c1CCCCC2)C)c1cc2c(o1)cccc2	EMOLS-id_100948191	338.4	DCZBUSURDUODHB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066499
CCOc1cccc(c1)NC(=O)c1c[nH]c2c1CC(=CC=CC2)OC	PC-id_141902415	338.4	RQJYKIWPGTYURL-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-066500
CN(/C=C/1CCCc2c(C1=O)n(Cc1ccccc1)c(c2)C(=O)O)C	SCHEMBL18250002,PC-id_122705192	338.4	WZLYNLDECRLIKZ-DTQAZKPQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066501
CN(Cc1nnc2n1CCCCC2)S(=O)(=O)c1cccc(F)c1	MCULE-8968692718,ZINC22_32876277,PC-id_40111105,CoCoCo_4490955,EMOLS-id_24021851	338.4	BLOVSEJZYJYCQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066502
COc1cccc(C2=CCN(C(=O)c3noc4c3CCCCC4)C2)c1	ZINC22_275962755,EMOLS-id_316873048,MCULE-6424389240,PC-id_136534015	338.4	MJZVAKITMFCPLX-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-066503
COCCC1CN(Cc2cccn2C1)C(=O)c1cc2ccccc2o1	EMOLS-id_313837863	338.4	GICMFIMGMSWNGT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066504
COCC[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cccn2C1	ZINC22_585095115	338.4	GICMFIMGMSWNGT-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066505
COCC[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cccn2C1	ZINC22_585095116	338.4	GICMFIMGMSWNGT-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066506
COC(=O)C1=CN(CCn2c(C1C)ccc2C=O)Cc1ccccc1	PC-id_142757273	338.4	QKKLKCRZYIAFBT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-066507
CS(=O)(=O)N(Cc1nnc2n1CCCCC2)c1ccccc1F	ZINC22_278585405,MCULE-1100646204,PC-id_121578494	338.4	GITYDFRXHVBNCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066508
Fc1ccc(cc1NCc1nnc2n1CCCCC2)S(=O)(=O)C	EMOLS-id_318250507	338.4	PQNARZOKBAVOAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066509
Fc1ccc(cc1)S(=O)(=O)NC(c1nnc2n1CCCCC2)C	MCULE-1453407193,PC-id_51074971,EMOLS-id_31867816	338.4	YCCUELXNVRDHHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066510
Fc1cccc(c1)S(=O)(=O)NC(c1nnc2n1CCCCC2)C	PC-id_51074966,EMOLS-id_31867806,MCULE-7888925650	338.4	RUMDIWMIQGRHCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066511
Fc1ccc(CS(=O)(=O)NCc2cc3CNCCCn3n2)cc1	ZINC22_82092631,MCULE-2546339366,PC-id_70713512,EMOLS-id_44426585	338.4	YCLJSQCIAQZBQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066512
s1c2CCCCCCc2c(c1NC(=O)c1cc(c(cc1)C)C)C#N	PC-id_4108000	338.466	JNPXLXSXUDZDMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066984
Oc1ccc(cc1)C1=CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100950426	338.4	VAWGWHXLMNCGEO-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-066513
CCCN(C(=O)Cn1nc2n(c1=O)CCCCC2)CC(=O)OCC	PC-id_87031116	338.402	VETQDPZEICTDRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066514
CCOC(=O)C(C)(C)N(C)C(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_69898361,EMOLS-id_36713825,MCULE-4835123831,PC-id_53615906	338.402	CSXZAPMVDNPESD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066515
COCCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)OC(C)(C)C	SCHEMBL18367430	338.402	MNDNREVENJNGCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066516
O=C(OC(C)(C)C)NC1CCn2c(N(C1=O)C)cc(n2)C(O)(C)C	PC-id_140316566	338.402	VWGMWGJPYUMHTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066517
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCCCc2c1ccs2	SCHEMBL5464322,PC-id_23120394	338.402	HEHMARHGZHPJPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066518
O=S1(=O)NCC=CCc2c1ccn2S(=O)(=O)c1ccccc1	PC-id_102495671	338.402	FSMXEZWFEXRQEJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-066519
c12c(cccc1C(=O)N1CCCn3nc(CO)cc3C1)c(c(C)[nH]2)C	PC-id_91796766,MCULE-4119897160,EMOLS-id_55708764	338.404	KVOMJCHFCMIMIB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066520
c1(cc2n(CCCN(C(=O)C)C2)n1)C(=O)N1CCC1c1ccccc1	MCULE-1855463353,PC-id_56714951,EMOLS-id_36450133	338.404	BBXZOLNDTBMNAJ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-066521
C1CCc2ncc(n2CC1)C(=O)N1CC(=O)NCC1c1ccccc1	MCULE-1576419470,EMOLS-id_316939460,PC-id_136566679	338.404	NGQDGRWMLYXTBM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-066522
c1ccc(COC[C@@H]2CN(Cc3ccco3)Cc3ccnn3C2)nc1	PC-id_97463580,ZINC22_96189171	338.404	BDQZNJGMVKFKNS-MRXNPFEDSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066523
c1ccc(COC[C@H]2CN(Cc3ccco3)Cc3ccnn3C2)nc1	ZINC22_96189170,PC-id_97463579	338.404	BDQZNJGMVKFKNS-INIZCTEOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066524
c1ccc(COC[C@H]2CN(Cc3ccco3)Cc3cncn3C2)nc1	PC-id_97477988,ZINC22_96209861	338.404	PFFAMAZDERQHJD-INIZCTEOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066525
c1ccc(COC[C@@H]2CN(Cc3ccco3)Cc3cncn3C2)nc1	ZINC22_96209862,PC-id_97477989	338.404	PFFAMAZDERQHJD-MRXNPFEDSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066526
c1ccc(COC[C@@H]2CN(Cc3ccco3)Cc3nccn3C2)nc1	PC-id_97381809,ZINC22_96059156	338.404	PFZUGOUIPILVMR-MRXNPFEDSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066527
c1ccc(COC[C@H]2CN(Cc3ccco3)Cc3nccn3C2)nc1	ZINC22_96059155,PC-id_97381808	338.404	PFZUGOUIPILVMR-INIZCTEOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066528
c1ccc(COC[C@@H]2CN(Cc3ccoc3)Cc3ccnn3C2)nc1	PC-id_97463582,ZINC22_96189173	338.404	YLRIQHSLAAOSAZ-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066529
c1ccc(COC[C@H]2CN(Cc3ccoc3)Cc3ccnn3C2)nc1	ZINC22_96189172,PC-id_97463581	338.404	YLRIQHSLAAOSAZ-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066530
c1ccc(COC[C@H]2CN(Cc3ccoc3)Cc3nccn3C2)nc1	PC-id_97462574,ZINC22_96188129	338.404	BLXKSYIKBZNHBS-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066531
c1ccc(COC[C@@H]2CN(Cc3ccoc3)Cc3nccn3C2)nc1	PC-id_97462578,ZINC22_96188133	338.404	BLXKSYIKBZNHBS-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066532
c1ccc(Oc2ccc(CNCc3nnc4n3CCCCC4)o2)cc1	PC-id_86785476,MCULE-9162827631,ZINC22_97236036,EMOLS-id_49926054	338.404	QMNBYCCEGTXAMF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-066533
c1cncc(CN2CCCn3cnc(COCc4ccco4)c3C2)c1	EMOLS-id_46148371,ZINC22_96059040,PC-id_97381693	338.404	DCYDRKWGYMEOAX-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066534
c1cncc(COC[C@H]2CN(Cc3ccco3)Cc3ccnn3C2)c1	PC-id_97381882,ZINC22_96059229	338.404	SQWVPCAUHHUPOY-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066535
c1cncc(COC[C@@H]2CN(Cc3ccco3)Cc3ccnn3C2)c1	ZINC22_96059230,PC-id_97381883	338.404	SQWVPCAUHHUPOY-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066536
c1cncc(COC[C@@H]2CN(Cc3ccco3)Cc3cncn3C2)c1	PC-id_97474641,ZINC22_96206479	338.404	QSYIFLLCHCCTDR-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066537
c1cncc(COC[C@H]2CN(Cc3ccco3)Cc3cncn3C2)c1	ZINC22_96206478,PC-id_97474640	338.404	QSYIFLLCHCCTDR-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066538
c1cncc(COC[C@H]2CN(Cc3ccco3)Cc3nccn3C2)c1	ZINC22_96059135,PC-id_97381788	338.404	GHUTXFUNDQZHME-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066539
c1cncc(COC[C@@H]2CN(Cc3ccco3)Cc3nccn3C2)c1	ZINC22_96059136,PC-id_97381789	338.404	GHUTXFUNDQZHME-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066540
c1cncc(COC[C@H]2CN(Cc3ccoc3)Cc3ccnn3C2)c1	PC-id_97463560,ZINC22_96189148	338.404	CNMMEGTUBRVJRE-SFHVURJKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066541
c1cncc(COC[C@@H]2CN(Cc3ccoc3)Cc3ccnn3C2)c1	ZINC22_96189149,PC-id_97463561	338.404	CNMMEGTUBRVJRE-GOSISDBHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066542
c1cncc(COC[C@H]2CN(Cc3ccoc3)Cc3nccn3C2)c1	ZINC22_96059139,PC-id_97381792	338.404	UWLPVRNUYKHDOW-SFHVURJKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066543
c1cncc(COC[C@@H]2CN(Cc3ccoc3)Cc3nccn3C2)c1	ZINC22_96059140,PC-id_97381793	338.404	UWLPVRNUYKHDOW-GOSISDBHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066544
C1CN(CCn2c1nn(c2=O)Cc1ccccc1)C(=O)C1CC=CC1	MCULE-7023407339,PC-id_91922501,EMOLS-id_50590085	338.404	YELWEXYCBGOVKQ-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-066545
c1cn(c(=O)c(c2-c1nc(n2)NC)Cc1cc(c(c(c1)C)OC)C)C	CHEMBL1277779,PC-id_49836747	338.404	DYLWWUIKJUPLGT-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-066546
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3cc(no3)C)C2)n1	EMOLS-id_55709384,PC-id_91796987,MCULE-8416084878	338.404	KOEVVVDIQIXYND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066547
c1(C(=O)Nc2cccc3c2oc(c3C)CC)cn2c(CCNCC2)n1	EMOLS-id_330489913,ZINC22_1857734378,MCULE-9166670341	338.404	QSWBPFPYXBDCDH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066548
c1(C(=O)Nc2ccc(cc2)N2CCCC2=O)c2CCCCCc2[nH]n1	MCULE-1348706170,EMOLS-id_323255481	338.404	FRGPSVHDTLHWAB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066549
c1(C(=O)OC)cc2n(CCCN(Cc3c[nH]c4c(cccc34)C)C2)n1	ZINC22_67447329,MCULE-3182228223,EMOLS-id_32371088,PC-id_50949747	338.404	KBCKXJNMKMNSBA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066550
C=C1CC=c2c(=CC1)[nH]c(=O)n2CC(=O)NCCNc1ccccc1	PC-id_143413501	338.404	ZLCKACIINXMPPS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-066551
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC1CC1	MCULE-5421309246,EMOLS-id_32846118,PC-id_50797894	338.404	PNXRYZXDWSEQDH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066552
Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC1CC1	PC-id_53034567,MCULE-3926750782,EMOLS-id_32633136	338.404	WKVHDKUTHQWIDL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066553
Cc1ccc(cc1)C(=O)N1C=C(C(=O)N)c2c(C(C1)(C)C)c(n[nH]2)C	SCHEMBL19702780	338.404	YYYIIXHALAJSGB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-066554
Cc1cccc(COC2CN(Cc3ccoc3)Cc3ccnn3C2)n1	EMOLS-id_50007086	338.404	HZROUQOBVISJBY-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066555
Cc1cccc(CO[C@H]2CN(Cc3ccoc3)Cc3ccnn3C2)n1	ZINC22_247864454	338.404	HZROUQOBVISJBY-IBGZPJMESA-N	00000000101000101101000000000010000000000000000000000000	31-01-066556
Cc1cccc(CO[C@@H]2CN(Cc3ccoc3)Cc3ccnn3C2)n1	ZINC22_247864458	338.404	HZROUQOBVISJBY-LJQANCHMSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066557
Cc1cc(CN2Cc3cccn3C[C@@H](OCc3ccccn3)C2)no1	ZINC22_247916647	338.404	MWCCYODVLAHEEZ-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-066558
Cc1cc(CN2Cc3cccn3C[C@H](OCc3ccccn3)C2)no1	ZINC22_247916651	338.404	MWCCYODVLAHEEZ-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066559
Cc1cc(CN2Cc3cccn3C[C@@H](OCc3cccnc3)C2)no1	ZINC22_247934208	338.404	RRLJPYDGYFCXIQ-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-066560
Cc1cc(CN2Cc3cccn3C[C@H](OCc3cccnc3)C2)no1	ZINC22_247934211	338.404	RRLJPYDGYFCXIQ-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066561
Cc1cc(CN2Cc3cccn3C[C@@H](OCc3ccncc3)C2)no1	ZINC22_247881450	338.404	CAEUDDCRYIVKGZ-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-066562
Cc1cc(CN2Cc3cccn3C[C@H](OCc3ccncc3)C2)no1	ZINC22_247881454	338.404	CAEUDDCRYIVKGZ-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066563
Cc1cc(CN2CC(Cn3cccc3C2)OCc2ccccn2)no1	EMOLS-id_50020046	338.404	MWCCYODVLAHEEZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066564
Cc1cc(CN2CC(Cn3cccc3C2)OCc2cccnc2)no1	EMOLS-id_50016608	338.404	RRLJPYDGYFCXIQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066565
Cc1cc(CN2CC(Cn3cccc3C2)OCc2ccncc2)no1	EMOLS-id_50016598	338.404	CAEUDDCRYIVKGZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066566
Cc1c(C(=O)NCCc2nnc3n2CCCCC3)oc2ccccc12	PC-id_47017161,MCULE-7204226290,EMOLS-id_30697418,ZINC22_48304210	338.404	OFKWFRFUDZWCQC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066567
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2	EMOLS-id_319386388	338.404	WGNCPENGYXQGLZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066568
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)CCN2C(=O)C	EMOLS-id_318990645	338.404	XICQONGYPPPVCP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066569
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc2c(c1)NC(=O)C2(C)C	EMOLS-id_319022319	338.404	SUIGGQSLQYJNRU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066570
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)C1CCC(=O)N1	EMOLS-id_319798001	338.404	YJUZTDCSZUXSMS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066571
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)N1CCCC1=O	EMOLS-id_319561643	338.404	AABIILKOJQMULN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066572
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)N1CCCC1=O	EMOLS-id_319782569	338.404	QQUWEDBDTYLRDX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066573
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)NC(=O)C1CC1	EMOLS-id_319890201,MCULE-3223436146	338.404	MYMXCZVFVNYNIC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066574
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CC(=O)N(C1)c1ccccc1	EMOLS-id_319353564	338.404	NEDSLDWWQOXVRF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066575
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CNC(=O)C1)c1ccccc1	EMOLS-id_319091297	338.404	QRWQSBCTGUZCLZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066576
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1Cc2c(N1C(=O)C)cccc2	EMOLS-id_318829388	338.404	XISRJNRDNZJIPU-ZJFPTPTDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066577
Cc1noc(c1)CN1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_99997780	338.404	KOEVVVDIQIXYND-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-066578
Cc1noc(c1)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_99997786	338.404	KOEVVVDIQIXYND-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066579
Cc1noc(C)c1CN1Cc2cccn2C[C@H](Oc2cccnc2)C1	ZINC22_252019645	338.404	XRFMGXFSTSZJLA-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066580
Cc1noc(C)c1CN1Cc2cccn2C[C@@H](Oc2cccnc2)C1	ZINC22_252019646	338.404	XRFMGXFSTSZJLA-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066581
Cc1noc(C)c1CN1CC(Cn2cccc2C1)Oc1cccnc1	EMOLS-id_50014056	338.404	XRFMGXFSTSZJLA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066582
CCC(c1nc2c([nH]1)cccc2)NC(=O)c1noc2c1CCCCC2	MCULE-9469117678,EMOLS-id_100957185	338.404	UGVNRVOJZJGSLP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066583
CC(C)c1nnc2CCN(CCn12)C(=O)C1CC(=O)c2ccccc12	EMOLS-id_20688985,PC-id_45237840,MCULE-6074171313	338.404	WOFJAINCMFPXQI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066584
CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)c3ccccc13)CC2	CoCoCo_1553549,ZINC22_12511246	338.404	WOFJAINCMFPXQI-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066585
CC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)c3ccccc13)CC2	CoCoCo_1553550,ZINC22_12511253	338.404	WOFJAINCMFPXQI-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066586
CC[C@H](NC(=O)c1noc2c1CCCCC2)c1nc2ccccc2[nH]1	ZINC22_133945242	338.404	UGVNRVOJZJGSLP-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066587
CC[C@@H](NC(=O)c1noc2c1CCCCC2)c1nc2ccccc2[nH]1	ZINC22_133945424	338.404	UGVNRVOJZJGSLP-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066588
C=CC(=O)N(C)c1ccc(C(=O)N2Cc3c[nH]nc3C[C@@H](C)C2)cc1	ZINC22_1875374028	338.404	XWOKZTHWJSQGTJ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066589
C=CC(=O)N(C)c1ccc(C(=O)N2Cc3c[nH]nc3C[C@H](C)C2)cc1	ZINC22_1875374029	338.404	XWOKZTHWJSQGTJ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066590
CC(n1cc2c(n1)ccc(c2)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_101049958	338.404	MGARMAIAFIXXDR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066591
CC(O)c1cc2CN(CCCn2n1)C(=O)Cn1ccc2ccccc12	PC-id_91791623,MCULE-2096590354,EMOLS-id_55693629	338.404	XFWSNRLKQJZOLA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066592
CCOc1ccc2c(c1)[nH]c(c2)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319737746	338.404	BFPLDTRZXFZIOA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066593
CCOc1cc(ccc1OC)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3456448,PC-id_6212763	338.404	CJEDFKJPBRODRM-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066594
CCOc1cc(ccc1OC)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3456449	338.404	CJEDFKJPBRODRM-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066595
CCOc1ccc(cc1OC)C=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_30722523,MCULE-6746582370,PC-id_72084743	338.404	UMRZFIWVWGDIMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066596
CCOc1cc(ccc1OC)C=C(c1nnc2n1CCCCC2)C#N	MCULE-4275370066,PC-id_4794938,EMOLS-id_26092963	338.404	CJEDFKJPBRODRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066597
CCOCC1CN(Cc2nccn2C1)C(=O)c1ccc2[nH]ccc2c1	EMOLS-id_44325847	338.404	NXJWRFSKSCDOGX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066598
CCOC[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)Cc2nccn2C1	PC-id_97462267,ZINC22_96187814	338.404	NXJWRFSKSCDOGX-CQSZACIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066599
CCOC[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)Cc2nccn2C1	ZINC22_96187815,PC-id_97462268	338.404	NXJWRFSKSCDOGX-AWEZNQCLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066600
CCO[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cccn2C1	ZINC22_248056919	338.404	OTFIROCQPQOKSE-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066601
CCO[C@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cccn2C1	ZINC22_248056923	338.404	OTFIROCQPQOKSE-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066602
CC(=O)N1CCc2c1ccc(c2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101668309	338.404	VRFYSKABERYTEX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066603
CC(=O)N1CCCn2nc(C(=O)N3CC[C@@H]3c3ccccc3)cc2C1	PC-id_95209762,ZINC22_67772323	338.404	BBXZOLNDTBMNAJ-GOSISDBHSA-N	00001000100000110101100000000010000000000000000000000000	31-01-066604
CC(=O)N1CCCn2nc(C(=O)N3CC[C@H]3c3ccccc3)cc2C1	PC-id_95209763,ZINC22_67772324	338.404	BBXZOLNDTBMNAJ-SFHVURJKSA-N	00001000100000110101100000000010000000000000000000000000	31-01-066605
CNC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(cc1)C	SCHEMBL19702784	338.404	ZJHMZRGJGQVPQI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-066606
COc1ccc(cc1)c1occ(n1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319198071	338.404	KKXLADUOCGUCBE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066607
COc1ccccc1c1occ(n1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319814425	338.404	HDNOFAUCOSVNSB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066608
C(OCc1ccccn1)C1CN(Cc2ccco2)Cc2ccnn2C1	EMOLS-id_44327123	338.404	BDQZNJGMVKFKNS-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066609
C(OCc1ccccn1)C1CN(Cc2ccco2)Cc2cncn2C1	EMOLS-id_49233987	338.404	PFFAMAZDERQHJD-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066610
C(OCc1ccccn1)C1CN(Cc2ccco2)Cc2nccn2C1	EMOLS-id_46148505	338.404	PFZUGOUIPILVMR-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066611
C(OCc1ccccn1)C1CN(Cc2ccoc2)Cc2ccnn2C1	EMOLS-id_44327125	338.404	YLRIQHSLAAOSAZ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066612
C(OCc1ccccn1)C1CN(Cc2ccoc2)Cc2nccn2C1	EMOLS-id_44326045	338.404	BLXKSYIKBZNHBS-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066613
C(OCc1cccnc1)C1CN(Cc2ccco2)Cc2ccnn2C1	EMOLS-id_46148579,PC-id_118739691	338.404	SQWVPCAUHHUPOY-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066614
C(OCc1cccnc1)C1CN(Cc2ccco2)Cc2cncn2C1	EMOLS-id_49228661	338.404	QSYIFLLCHCCTDR-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066615
C(OCc1cccnc1)C1CN(Cc2ccco2)Cc2nccn2C1	PC-id_118739244,EMOLS-id_46148485	338.404	GHUTXFUNDQZHME-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066616
C(OCc1cccnc1)C1CN(Cc2ccoc2)Cc2ccnn2C1	EMOLS-id_44327093	338.404	CNMMEGTUBRVJRE-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066617
C(OCc1cccnc1)C1CN(Cc2ccoc2)Cc2nccn2C1	EMOLS-id_46148489	338.404	UWLPVRNUYKHDOW-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-066618
COC[C@@H]1CCn2nccc2CN1C(=O)c1cn(C)c2ccccc12	ZINC22_585098339	338.404	WNDPHDPIJUCSSR-HNNXBMFYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066619
COC[C@H]1CCn2nccc2CN1C(=O)c1cn(C)c2ccccc12	ZINC22_585098340	338.404	WNDPHDPIJUCSSR-OAHLLOKOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066620
COC[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2cncn2C1	PC-id_97475335,ZINC22_96207208	338.404	KRZLWHVTYQVLEJ-CQSZACIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066621
COC[C@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2cncn2C1	PC-id_97475336,ZINC22_96207209	338.404	KRZLWHVTYQVLEJ-AWEZNQCLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066622
n12CCCNCc1cc(CCC(=O)NCc1cc3c(cccc3)o1)n2	PC-id_70754794,EMOLS-id_43140356,ZINC22_72447706,MCULE-9016883730	338.404	FOKUYGUUOCNZNC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066623
N#Cc1ccc(cc1)OC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)(C)C	EMOLS-id_319220380	338.404	DFFNMKWUNGVPLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066624
o1c(C(=O)NCCc2n3CCCCCc3nn2)cc2c1ccc(c2)C	PC-id_60549947	338.404	WGCRLZMLRNAPPY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066625
O(c1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1OCC)C	PC-id_78650369	338.404	ZPCATPPHPAFAHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066626
O(c1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1OCC)C	PC-id_8275452	338.404	ZPCATPPHPAFAHT-NTCAYCPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066627
O=C1CCCN1c1ccc(cc1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101667362	338.404	XUJSZUVJIWDVCC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066628
O=C1CCCN1c1cccc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101668300	338.404	KLDHTKQPEIUGDE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066629
O=C1CCC(N1)c1ccccc1NC(=O)c1cnc2n1CCCCC2	MCULE-5833349005,EMOLS-id_258151645	338.404	ZUUUFMNVVRXRCT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066630
O=C1CCC(N1)c1ccccc1NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_279018209	338.404	XXFKBIIVWVICJX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066631
O=C1CCCN1Cc1ncn2c1CN(C(=O)c1ccccc1)CCC2	ZINC22_96259340,PC-id_97519424,EMOLS-id_44370228	338.404	RGAWDDVXHHWITF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066632
O=C1CCCN1C[C@H]1CN(C(=O)c2ccccc2)Cc2nccn2C1	PC-id_97462893,ZINC22_96188455	338.404	TYANHBARPWGDHJ-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066633
O=C1CCCN1C[C@@H]1CN(C(=O)c2ccccc2)Cc2nccn2C1	ZINC22_96188454,PC-id_97462892	338.404	TYANHBARPWGDHJ-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066634
O=C1CN(C(=O)c2cnc3n2CCCCC3)[C@H](c2ccccc2)CN1	ZINC22_886845829	338.404	NGQDGRWMLYXTBM-HNNXBMFYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-066635
O=C1CN(C(=O)c2cnc3n2CCCCC3)[C@@H](c2ccccc2)CN1	ZINC22_886845830	338.404	NGQDGRWMLYXTBM-OAHLLOKOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-066636
O(c1c(OC)cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)CC	PC-id_47005691	338.404	UMRZFIWVWGDIMZ-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066637
O(c1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)CC	PC-id_7911808	338.404	UMRZFIWVWGDIMZ-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066638
O=C1Nc2c(C1(C)C)cc(cc2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674649	338.404	JFTZEGUELSXGIY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066639
O=C1Nc2c(C1(C)C)ccc(c2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678351	338.404	POQREHVHXRKPII-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066640
O=c1[nH][nH]c2c1CCN(CC2)C(=O)c1[nH]c2c(c1C)c(C)ccc2C	EMOLS-id_44724060,PC-id_70747737,MCULE-6341940221	338.404	AXGOLRIHDFMOAY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066641
O=C(c1c2c(CCCCC2)[nH]n1)Nc1cc(N2C(=O)CCC2)ccc1	MCULE-1867072357,EMOLS-id_323255225	338.404	LGOVEWOSCVWRDI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066642
O=C(C1CC1)c1ccc(NC(=O)N2CCCc3[nH]cnc3CC2)cc1	PC-id_20803123	338.404	QTIBXQDQKQVDQX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066643
O=C(C1CC1)Nc1cccc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318099515	338.404	QTQIWLDPYLDHMS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066644
O=C(C1CC1)Nc1ccccc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318307330	338.404	HOZXWVFCUZIPRK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066645
O=C(C1CC=CC1)N1Cc2ccnn2C[C@@H](COc2cccnc2)C1	PC-id_97463556,ZINC22_96189144	338.404	CODMTIOMKSJDAE-HNNXBMFYSA-N	00000011100000101101000000000010000000000000000000000000	31-01-066646
O=C(C1CC=CC1)N1Cc2ccnn2C[C@H](COc2cccnc2)C1	PC-id_97463557,ZINC22_96189145	338.404	CODMTIOMKSJDAE-OAHLLOKOSA-N	00000011100000101101000000000010000000000000000000000000	31-01-066647
O=C(C1CC=CC1)N1CC(COc2cccnc2)Cn2nccc2C1	EMOLS-id_44327087	338.404	CODMTIOMKSJDAE-UHFFFAOYSA-N	00000011100000101101000000000010000000000000000000000000	31-01-066648
O=C(Cc1ccccc1)N1CCCn2ncc(C(=O)NC3CC3)c2C1	EMOLS-id_313765071,ZINC22_585110886	338.404	UKZGUKXRJLVUSK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066649
OCC#Cc1cccc(c1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_319010904	338.404	CDHSQHMOJXZKBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066650
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)CC1NC(=O)c2c1cccc2	EMOLS-id_316726318	338.404	FITBJQYQXZAOAL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066651
O=C(N1CCc2c(CC1)nc[nH]2)NCc1ccc(cc1)C(=O)C1CC1	PC-id_142022585	338.404	YEFMNKPNRSPPEY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066652
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)c(C)c(o2)C	EMOLS-id_101858185	338.404	VPZMFJHUJGNRDD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066653
O=C(N1CCCc2c(C1)cnn2C)NCc1c(C)oc2c1cccc2	EMOLS-id_101701586	338.404	RWOJFEFDUGRRQR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066654
O=C(N1CCCc2c(C1)cnn2C)N[C@@H](c1cc2c(o1)cccc2)C	EMOLS-id_101693576	338.404	XPKASEVIAXOKLM-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066655
O=C(N1CCCc2c(C1)cnn2C)N[C@H](c1cc2c(o1)cccc2)C	EMOLS-id_101697800	338.404	XPKASEVIAXOKLM-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066656
O=C(N1CCCn2c(C1)cc(n2)[C@H](O)C)Cn1ccc2c1cccc2	PC-id_99990695	338.404	XFWSNRLKQJZOLA-CQSZACIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066657
O=C(N1CCCn2c(C1)cc(n2)[C@@H](O)C)Cn1ccc2c1cccc2	PC-id_99990699	338.404	XFWSNRLKQJZOLA-AWEZNQCLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066658
O=C(N1CC(CN2CCCC2=O)Cn2ccnc2C1)c1ccccc1	EMOLS-id_44326293	338.404	TYANHBARPWGDHJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066659
OC(=O)CCc1nn2CCCN(Cc2c1)Cc1cc2c([nH]cc2)cc1	PC-id_56885269	338.404	AHRMZUQEOYIMTL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066660
N(=C(c1cc2-c(c1)ccccc2)/C(=N/N)/c1cc2-c(c1)ccccc2)N	PC-id_11035141	338.405	NZKKDJOPWAWZCI-SYCDQCCHSA-N	00000010100000000110000000000010000000000000000000000000	31-01-066661
N(=C(c1cc2-c(c1)ccccc2)C(=NN)c1cc2-c(c1)ccccc2)N	PC-id_85374824	338.405	NZKKDJOPWAWZCI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-066662
N/N=C(C(=N/N)c1cc2-c(c1)ccccc2)/c1cc2-c(c1)ccccc2	PC-id_101202947	338.405	NZKKDJOPWAWZCI-ORFRIDJFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-066663
c12c(C)cccn1c(cn2)CC(=O)NCc1cc2n(CCCNC2)n1	MCULE-7541761050,EMOLS-id_44443623,ZINC22_82134676,PC-id_70762296	338.407	JIQGLSYGEHNPMF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066664
c12C(CCCCn1nnn2)C(=O)NCCc1c[nH]c2c(cccc12)C	MCULE-9646936042,PC-id_74232990,EMOLS-id_49644852	338.407	OIKDRNRWONWOCG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066665
c12cc(nn1c(cc(C(=O)NCc1c3CCCCCc3[nH]n1)n2)C)C	MCULE-8494505623,ZINC22_670440185,EMOLS-id_222757301	338.407	IZQQSLLORIAUFV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066666
c12cncn1CCCN(Cc1ccc(c(Cn3cncn3)c1)OC)C2	PC-id_56910956,EMOLS-id_43162428,ZINC22_72165392,MCULE-4153860618	338.407	VEDONYKLYORBIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066667
c12nnnn1CCCCC2C(=O)N(C)CCn1c2ccccc2cc1	EMOLS-id_49657878,PC-id_74239400,MCULE-7303866206	338.407	QENMVWITKOFGLE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066668
c1(cn2c(CCNCC2)n1)C(=O)N(C)Cc1n(C)c2c(cccc2)n1	MCULE-2606418033,ZINC22_1857709986,EMOLS-id_330412252	338.407	BRUYLYNKRBURMU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066669
c1(CN(C)C(=O)c2cnc3c(n(C)nc3)c2)c2CCCCCc2[nH]n1	EMOLS-id_336478132,MCULE-3097949605,ZINC22_1940194775	338.407	OJFQLYHYHJBDGE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066670
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)c(C)nn2ncccc12	PC-id_145927880,ZINC22_1857684582,MCULE-1909635004,EMOLS-id_323953217	338.407	TUZJFCAFQIZMNS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066671
c1(C(=O)NCCc2nnc3CCNCCn23)c2ccccc2n(C)c1	ZINC22_67878748,MCULE-3945965986,PC-id_56718351	338.407	JSOSVTWTJKWPHU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066672
c1(C(=O)NCCCc2nnc3ccccn23)c2CCCCCc2n[nH]1	ZINC22_96231403,MCULE-4392122126,EMOLS-id_50400914,STOCK7S-46707,PC-id_75489823,EMOLS-id_49247871	338.407	WDNFMPZLEJFIDI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066673
Cc1cccc2c(CCNC(=O)[C@H]3CCCCn4nnnc34)c[nH]c12	PC-id_97870155,ZINC22_97323869	338.407	OIKDRNRWONWOCG-HNNXBMFYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066674
Cc1cccc2c(CCNC(=O)[C@@H]3CCCCn4nnnc34)c[nH]c12	ZINC22_97323868,PC-id_97870154	338.407	OIKDRNRWONWOCG-OAHLLOKOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066675
Cc1ccc(CN2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)o1	ZINC22_306130301	338.407	JBXSXRFQCBFMMV-HNNXBMFYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-066676
Cc1ccc(CN2Cc3ccnn3C[C@H](CNc3ncccn3)C2)o1	ZINC22_306130302	338.407	JBXSXRFQCBFMMV-OAHLLOKOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-066677
Cc1ccc(CN2CC(CNc3ncccn3)Cn3nccc3C2)o1	EMOLS-id_50373373	338.407	JBXSXRFQCBFMMV-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-066678
Cc1ccc(C#N)cc1NC(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_36286676,ZINC22_58453175,PC-id_53579264,MCULE-9924045702	338.407	HPZBGADCOQWDRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066679
Cc1cccn2cc(CC(=O)NCc3nnc4n3CCCCC4)nc12	PC-id_53553191,MCULE-3140451776,ZINC22_65624853,EMOLS-id_35757541	338.407	HYTCWHUZCNVOTF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066680
Cc1cc(C)n2c(n1)c(c(n2)C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670133	338.407	FMQAVLRUAGCDAS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066681
Cc1ccc(NCc2cnc3CCN(Cc4ccco4)CCn23)nn1	ZINC22_96197132,EMOLS-id_44329185,PC-id_97467274	338.407	GCQZOAMABJBNCH-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-066682
Cc1cc(c(o1)C)c1cnnc(n1)NCc1[nH]nc2c1CCCCC2	PC-id_25286566,CoCoCo_1342657,CoCoCo_1342658	338.407	WZORZTXSKMRDFO-UHFFFAOYSA-N	00000000101000100101100000000010000000000000000000000000	31-01-066683
Cc1ccc(OCC2CCn3nccc3CN2Cc2cn[nH]c2)cn1	EMOLS-id_313744053	338.407	WXQKXCJGDJTYEO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066684
Cc1ccc(OC[C@@H]2CCn3nccc3CN2Cc2cn[nH]c2)cn1	ZINC22_585098365	338.407	WXQKXCJGDJTYEO-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066685
Cc1ccc(OC[C@H]2CCn3nccc3CN2Cc2cn[nH]c2)cn1	ZINC22_585098367	338.407	WXQKXCJGDJTYEO-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066686
Cc1cc(C(=O)N2CCCc3c(C2)cnn3C)c2c(n1)n(C)nc2C	EMOLS-id_101669263	338.407	FUKZHBDVHZWTAN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066687
Cc1ccn2c(c1)nc(c2)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101717694	338.407	NEIKCCBVLIOQPO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066688
Cc1ccn2c(c1)nc(c2)C(=O)NC(c1nnc2n1CCCCC2)C	MCULE-9306135610,PC-id_53514561,EMOLS-id_35699492	338.407	BNAMCEGJHYQIQF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066689
Cc1ccn2cc(C(=O)N[C@H](C)c3nnc4n3CCCCC4)nc2c1	ZINC22_29896129	338.407	BNAMCEGJHYQIQF-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066690
Cc1ccn2cc(C(=O)N[C@@H](C)c3nnc4n3CCCCC4)nc2c1	ZINC22_29896142	338.407	BNAMCEGJHYQIQF-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066691
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)nc2c1c(C)nn2C	EMOLS-id_319449793	338.407	OOVLEGLJNQYUOI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066692
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc2c(c1)cnn2C(C)C	EMOLS-id_319935158,MCULE-2946010700	338.407	XTWJPXVJZSMQGT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066693
Cc1nc2cc(CC(=O)NCc3cc4CNCCCn4n3)ccc2[nH]1	ZINC22_97294585,EMOLS-id_49643680,MCULE-5703638492,PC-id_74232414	338.407	ZREQPCWIDLPPJL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066694
Cc1nc2cc(C(=O)NCc3nnc4n3CCCCC4)ccc2n1C	EMOLS-id_35750019,MCULE-9557092745,PC-id_53552408,ZINC22_65621538	338.407	DJBMQYXWNUXUHG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066695
Cc1nc2n(C)nc(c2cc1NC(=O)c1n[nH]c2c1CCCCC2)C	EMOLS-id_319606228	338.407	ZDSYTBITJNUQDX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066696
Cc1nn(C)c(C)c1/C=C/C(=O)[C@@H](C#N)c1nnc2n1CCCCC2	PC-id_95599725,ZINC22_71859285	338.407	FGSOYBHEAPYUHX-XVJNWHFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066697
Cc1nn(C)c(C)c1/C=C/C(=O)[C@H](C#N)c1nnc2n1CCCCC2	ZINC22_71859286,PC-id_95599726	338.407	FGSOYBHEAPYUHX-HVHJFMEUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066698
CC(C)c1nnc2ccc(NC(=O)c3cc4c([nH]3)CCCNC4)cn12	ZINC22_2325820867	338.407	WEWFLPQSLKITGT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066699
CCC(c1nnc2n1CCCCC2)NC(=O)c1cccc2n1ncc2	EMOLS-id_319035282	338.407	QHHFXRFQPCUTIM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066700
CCCNc1ccc(cc1NC(=O)C1CCn2c(CC1)nnc2)C#N	EMOLS-id_319655349	338.407	XVYMWJAAZNAHAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066701
C[C@H](NC(=O)N1CCCc2c(cnn2C)C1)c1nc2ccccc2[nH]1	ZINC22_333520523,EMOLS-id_101989571,MCULE-8722087880	338.407	KOMCUYBRJRSMBF-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066702
CC(n1cc2c(n1)ccc(c2)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319871157,MCULE-4887636689	338.407	LHNYIBAPDPLLEO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066703
CCn1cc(CN2Cc3cccn3C[C@@H](Oc3ncccn3)C2)cn1	ZINC22_585112118	338.407	LPPJJDBTLPCKLC-KRWDZBQOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-066704
CCn1cc(CN2Cc3cccn3C[C@H](Oc3ncccn3)C2)cn1	ZINC22_585112119	338.407	LPPJJDBTLPCKLC-QGZVFWFLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-066705
CCn1cc(CN2CC(Cn3cccc3C2)Oc2ncccn2)cn1	EMOLS-id_313781137	338.407	LPPJJDBTLPCKLC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-066706
CCn1c(CNC(=O)C2CCc3n(CC2)cnn3)nc2c1cccc2	EMOLS-id_319186057	338.407	MBKXZIBASWZFLV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066707
CCn1ncc2c1cc(cc2)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101967210	338.407	PDCDCIHASNRPRC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066708
CCn1ncc2c1nc(C)c(c2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678216	338.407	JWOLQRFPMALDNT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066709
Cn1cc(CN2Cc3cncn3CCC2COc2ccccn2)cn1	EMOLS-id_313737661	338.407	QGACRDDFJZLBGM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066710
Cn1cc(CN2Cc3cncn3CC[C@H]2COc2ccccn2)cn1	ZINC22_585097798	338.407	QGACRDDFJZLBGM-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066711
Cn1cc(CN2Cc3cncn3CC[C@@H]2COc2ccccn2)cn1	ZINC22_585097799	338.407	QGACRDDFJZLBGM-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066712
Cn1ncc2c1CCCN(C(=O)NCCc1ccc3c[nH]nc3c1)C2	MCULE-3542337067,EMOLS-id_316200483,ZINC22_413537294	338.407	SCKJFEPFVSOSKZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066713
Cn1ncc(c1)CN1CCCn2c(C1)c(COc1cccnc1)nc2	PC-id_97520061	338.407	DWEDRJAXCZXXRI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066714
CN(Cc1cc2CNCCCn2n1)Cc1cc(no1)c1ccncc1	MCULE-5519799011,ZINC22_72167137,EMOLS-id_43167648,PC-id_56912755	338.407	DFQJJAZYGJJLET-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066715
CN(Cc1cc2CNCCCn2n1)Cc1noc(n1)c1ccccc1	EMOLS-id_43118675,PC-id_56897081,ZINC22_72157062,MCULE-4404946100	338.407	QKJUFIIEFJKPNO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066716
CN(Cc1nnc(c2cccnc2)o1)Cc1n[nH]c2c1CCCCC2	PC-id_91828962,MCULE-6998497993,ZINC22_244678722,EMOLS-id_55605738	338.407	IIWDAWFJEXTJHD-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066717
CN(CCn1ccc2ccccc12)C(=O)[C@@H]1CCCCn2nnnc12	PC-id_97910196,ZINC22_97568980	338.407	QENMVWITKOFGLE-OAHLLOKOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066718
CN(CCn1ccc2ccccc12)C(=O)[C@H]1CCCCn2nnnc12	ZINC22_97568981,PC-id_97910197	338.407	QENMVWITKOFGLE-HNNXBMFYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066719
CN(C(=O)Nc1ccc2c(c1)cc[nH]2)Cc1nnc2n1CCCCC2	EMOLS-id_318911129	338.407	JOCXBCPDSOTNIP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066720
COc1ncccc1CN1CCc2ncc(Cn3cccn3)n2CC1	EMOLS-id_44328817,ZINC22_96196944,PC-id_97467088	338.407	LENTULDLODDYPL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066721
COc1ncccc1CN1CC(Cn2cccn2)Cn2c(C1)ncc2	PC-id_118740721	338.407	YYMXRCSAHXLVDJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066722
n12CCCNCc1cc(CNC(=O)CCc1cn3c(cccc3)n1)n2	ZINC22_82121073,PC-id_70750673,MCULE-5827769265,EMOLS-id_44439637	338.407	GXJUVZOOCMFLGB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066723
N#Cc1cccc(c1C)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319903951,MCULE-4200092322	338.407	JHUOFLVMIXSCGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066724
N#Cc1cc(cc(c1)C)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_320020330,MCULE-3099785394	338.407	JRXIGQMUDYDLJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066725
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccnn1C1CCCC1	PC-id_71968444,EMOLS-id_49115064,MCULE-2293060815	338.407	IKYFBOVTEOWSJV-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-066726
N#CC(c1nnc2n1CCCCC2)C(=O)C=Cc1c(C)nn(c1C)C	MCULE-7341758900,PC-id_72044510,EMOLS-id_37019164	338.407	FGSOYBHEAPYUHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066727
N#C[C@@H](c1nnc2n1CCCCC2)C(=O)/C=Cc1c(C)nn(c1C)C	PC-id_97539065	338.407	FGSOYBHEAPYUHX-WHLNPGIBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066728
N#C[C@H](c1nnc2n1CCCCC2)C(=O)/C=Cc1c(C)nn(c1C)C	PC-id_97539066	338.407	FGSOYBHEAPYUHX-CDNLZTBQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066729
N#C[C@H](C(=O)c1ccnn1C1CCCC1)c1nnc2n1CCCCC2	ZINC22_96478765,PC-id_97603458	338.407	IKYFBOVTEOWSJV-CQSZACIVSA-N	00000010100000000101100000000010000000000000000000000000	31-01-066730
N#C[C@@H](C(=O)c1ccnn1C1CCCC1)c1nnc2n1CCCCC2	ZINC22_96478768,PC-id_97603459	338.407	IKYFBOVTEOWSJV-AWEZNQCLSA-N	00000010100000000101100000000010000000000000000000000000	31-01-066731
O=C(c1ccc2c(c1)nc([nH]2)N(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_319031222	338.407	QJLTZWHUJIDWFE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066732
O=C(C1=CCCC1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_306127881	338.407	GJTUMBIKWLZRKX-AWEZNQCLSA-N	00000011100000100101000000000010000000000000000000000000	31-01-066733
O=C(C1=CCCC1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_306127882	338.407	GJTUMBIKWLZRKX-CQSZACIVSA-N	00000011100000100101000000000010000000000000000000000000	31-01-066734
O=C(C1CC=CC1)N1CCCn2c(CNc3cccnc3)nnc2C1	PC-id_97519716,ZINC22_96259634	338.407	SUEWCPXGALTBSE-UHFFFAOYSA-N	00000011100000101101000000000010000000000000000000000000	31-01-066735
O=C(c1cccc2c1ncn2C)NCCc1nnc2n1CCCCC2	EMOLS-id_319868482	338.407	VQHMCJQKKKRMIY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066736
O=C(c1cccc2n1ccn2)NCCCc1nnc2n1CCCCC2	EMOLS-id_45680859,PC-id_71913886	338.407	IQDKFAMEABXBAW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066737
O=C(c1cccc2n1ncc2)NCCCc1nnc2n1CCCCC2	EMOLS-id_319593998	338.407	UQNZWQUIRXQJIQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066738
O=C(C1CCn2c(CC1)nnc2)NCCc1nn(c2c1cccc2)C	EMOLS-id_319695843	338.407	HGQCEHOSIHGKSY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066739
O=C(c1cnc2c(c1)cnn2C(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101669209	338.407	RSGZJQFZYOQITE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066740
O=C(c1c(N)nn2c1cccc2)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319764373	338.407	XOWAWORFUXRHLG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066741
O=C(C(c1n2CCCCCc2nn1)C#N)/C=C/c1c(n(nc1C)C)C	PC-id_56801975	338.407	FGSOYBHEAPYUHX-CMDGGOBGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066742
O=C(CCc1nc2ccccc2[nH]1)NCc1nnc2n1CCCCC2	CoCoCo_4639252,MCULE-8324296731,PC-id_45805590,EMOLS-id_29628625,CoCoCo_4639253,ZINC22_40489519	338.407	RZAJEIXHBYSACM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066743
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Cn1ncc2c1cccn2	EMOLS-id_318826341	338.407	XQYYSHCTDQTYAO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066744
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Cn1ncc2c1nccc2	EMOLS-id_316669143	338.407	GXCJBUHJGUOUBJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066745
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)n(C)nc2C	EMOLS-id_101868036	338.407	UBBWDAYZXHYALU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066746
O=C(N1CCCc2c(C1)cnn2C)NCc1cn2c(n1)cccc2C	EMOLS-id_101721204	338.407	MVOLZNRMUYDHHR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066747
O=C(N1CCCc2c(C1)cnn2C)NCc1nc2c(n1C)cccc2	EMOLS-id_101724777	338.407	PHRKPCFGRLEPDQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066748
O=C(N1CCC=C(C1)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102161074	338.407	FTQQYYZAGNUYSI-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-066749
O=C(N1CCCn2c(C1)cc(n2)N)NCc1ccc2c(c1)cc([nH]2)C	EMOLS-id_319242873	338.407	FVGRZSCIDOAKBD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066750
O=C(N1CCCn2c(C1)cc(n2)N)NCCc1c[nH]c2c1cccc2	EMOLS-id_318794162	338.407	FFAWQQMBIALNRJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066751
O=C(N1CC(CNc2ncccn2)Cn2nccc2C1)C1=CCCC1	EMOLS-id_50372617	338.407	GJTUMBIKWLZRKX-UHFFFAOYSA-N	00000011100000100101000000000010000000000000000000000000	31-01-066752
O=C(Nc1cccc2c1cc[nH]2)NCCc1nnc2n1CCCCC2	MCULE-1707487748,PC-id_53589215,EMOLS-id_36335730	338.407	JVZOUWMHZIYEEX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066753
O=C(NCCc1n2CCCCCc2nn1)c1n[nH]c2c1cc(cc2)C	PC-id_78868795	338.407	LDXWDXGPRXDXQM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066754
O=C(NCCc1nnc2n1CCCCC2)Nc1ccc2[nH]ccc2c1	MCULE-9749143358,PC-id_56825825,EMOLS-id_36948371,ZINC22_71803348	338.407	VLSSGFMWOUUKKE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066755
s1c2CCCCCc2cc1/C(=N/c1cc(ccc1)c1n[nH]nn1)/[O-]	PC-id_40636468	338.407	DAUXFMAJAKWNHY-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-066756
s1c2CCCCCc2cc1C(=Nc1nc([nH]n1)c1ncccc1)[O-]	PC-id_52258621	338.407	RHHXKYAOPMEEPO-UHFFFAOYSA-M	00000000100000101101100000000010000000000000000000000000	31-01-066757
Cn1ccnc1CN1CCCn2cnc(CNc3ncccn3)c2C1	EMOLS-id_44370398,PC-id_97519508,ZINC22_96259424	338.41	KPPUOCSLJRPOJO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-066758
N#Cc1c(NC(=O)CC2CC(C2)(F)F)sc2c1CCCCCC2	EMOLS-id_101599926	338.415	IGUHYMMXBFLHFP-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-066759
c1(NC(=O)CCCC(=O)O)sc2c(CCCCCC2)c1C(=O)N	MCULE-7164779588,ZINC22_2753238,EMOLS-id_4018231,CHEMBL1485047,CoCoCo_5824600,PC-id_3629797	338.422	VKGPDAGOBWZVQZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066760
CC(C)(CC(=O)Nc1sc2c(c1C(=O)N)CCCCC2)C(=O)O	MCULE-9002037402,ZINC22_236803409,EMOLS-id_51815694,PC-id_119133544	338.422	JFESARPVTXHNDC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066761
CC(C)[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)NC(=O)N	CoCoCo_2861384,PC-id_9284552,ZINC22_8150724	338.422	VVBGZOVWTONFLC-ZDUSSCGKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066762
CC(C)[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)NC(=O)N	ZINC22_8150725,PC-id_9284553,CoCoCo_2861385	338.422	VVBGZOVWTONFLC-CYBMUJFWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066763
CC(C)C(OC(=O)c1cc2CCCCCc2s1)C(=O)NC(=O)N	CHEMBL1511362,BindingDB-id_123830,PC-id_4883633,BindingDB_PC-id_4883633,MCULE-8980117102,EMOLS-id_3359251	338.422	VVBGZOVWTONFLC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066764
CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCCCC2	PC-id_51541403,ZINC22_15089185	338.422	QAXGMKATZGLBNX-SNVBAGLBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066765
CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCCC2	PC-id_51541404,ZINC22_15089186	338.422	QAXGMKATZGLBNX-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-066766
CCNC(=O)NC(=O)C(OC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_43703943,MCULE-9844227291,PC-id_16509434	338.422	QAXGMKATZGLBNX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066767
CCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CCCCCC2	MCULE-1062122814,PC-id_16512670,ZINC22_9813313,EMOLS-id_33327310	338.422	HVUKRFCCLJXMMJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066768
CC(=O)OC(C(=O)Nc1sc2c(c1C(=O)N)CCCCC2)(C)C	SCHEMBL8288694,PC-id_60001294	338.422	PQSXDUYEMDJZJE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066769
CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCCCC2	PC-id_7618473,ZINC22_5302450	338.422	BPXBKYUQSZCELZ-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-066770
CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCCCCC2	PC-id_7618479,ZINC22_5302457	338.422	BPXBKYUQSZCELZ-SNVBAGLBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066771
CNC(=O)NC(=O)C(OC(=O)c1sc2c(c1)CCCCCC2)C	MCULE-2173847310,EMOLS-id_31833537,PC-id_16512671	338.422	BPXBKYUQSZCELZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066772
COC(=O)c1c(NC(=O)CCNC(=O)C)sc2c1CCCCC2	EMOLS-id_44125493,ZINC22_59253643,MCULE-7019492115,PC-id_52638640	338.422	CIHYZJFHUWVAIP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066773
COC(=O)c1c(NC(=O)N2CC[C@@H](C2)O)sc2c1CCCCC2	EMOLS-id_110264152	338.422	ZZXGTCYHURZBHY-JTQLQIEISA-N	00000010100000000100000000000010000000000000000000000000	31-01-066774
COC(=O)c1c(NC(=O)N2CCOCC2)sc2c1CCCCC2	EMOLS-id_110264127	338.422	MXIXDJIFUKDUDF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066775
COC(=O)CCCC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_70334881,SCHEMBL8288679	338.422	UEGHZJMUPKHLSN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066776
O=C(c1noc2c1CCCCC2)NS(=O)(=O)C1C[C@H]2C[C@@H]1CC2	EMOLS-id_112086140	338.422	NOPZZPSUIMHHJO-ZAZPPBBNSA-N	00000010100010000101000000000110000000000000000000000000	31-01-066777
O=S(=O)(N1CCCc2c(C1)cco2)Cc1noc(c1)C(C)(C)C	EMOLS-id_99305948	338.422	TYZJADACZQMRFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066778
s1c2CCCCCc2cc1C(=O)OCC(=O)N(CC(=O)NC)C	PC-id_9402866	338.422	NFKHCVCZUNDJRC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066779
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC(=O)NCC	PC-id_9403067	338.422	IDBNGSYEMNVZGV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066780
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC(=O)N(C)C	PC-id_9403216	338.422	GPPXOYSXEQTWGN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066781
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NC(C)C	PC-id_2669531	338.422	KJXLGWGRCFCWAS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066782
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NCCC	PC-id_7649968	338.422	CGTLNANGONUJGG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066783
s1c2c(CCCCC2)c(c1NC(=O)C(C)C)C(=O)NC(=O)OC	PC-id_7521883	338.422	XUVGIZLFXUGOQV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066784
s1c2c(CCCCC2)c(c1NC(=O)CCC)C(=O)NC(=O)OC	PC-id_7521892	338.422	MWFAAIXESMGXBQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066785
s1c2c(CCCCC2)c(c1NC(=O)CC)C(=O)NC(=O)OCC	PC-id_7521925	338.422	UKWPTWKDQKDJHY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066786
s1c2c(CCCCC2)c(c1NC(=O)C)C(=O)NCCCC(=O)O	PC-id_82033607	338.422	WJKWCSRESNQSLF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066787
s1c2c(CCCCC2)c(c1NC(=O)C)C(=O)NC(CC)C(=O)O	PC-id_82033609	338.422	OQUVEYUZWDGKCS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066788
s1c2c(CCCCC2)c(c1NC(=O)C)C(=O)N(CCC(=O)O)C	PC-id_82033610	338.422	VVQLHFYHUDRDGH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066789
Cc1nc(c2cccc(C(=O)N3CCCc4occc4C3)c2)cs1	MCULE-1515247205,EMOLS-id_177243859,ZINC22_342635460	338.423	RJJCRGCFYSMNMY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066790
CCOC(=O)c1cc2=C(/C=C/c3ccccc3)CC=C(N=c2s1)N	PC-id_143009703	338.423	DEKWMNVNHREREY-CMDGGOBGSA-N	00000000100000110110000000000010000000000000000000000000	31-01-066791
N#Cc1c(NC(=O)C2Cc3c(O2)cccc3)sc2c1CCCCC2	PC-id_75413244,EMOLS-id_48207901,MCULE-6912723628	338.423	XHUNYPRAKXIYAD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-066792
N#Cc1c(NC(=O)[C@H]2Cc3ccccc3O2)sc2c1CCCCC2	PC-id_96468567,ZINC22_78544019	338.423	XHUNYPRAKXIYAD-MRXNPFEDSA-N	00000010100000100100000000001010000000000000000000000000	31-01-066793
N#Cc1c(NC(=O)[C@@H]2Cc3ccccc3O2)sc2c1CCCCC2	PC-id_96468569,ZINC22_78544026	338.423	XHUNYPRAKXIYAD-INIZCTEOSA-N	00000010100000100100000000001010000000000000000000000000	31-01-066794
c12C(=O)NCC(C)(C)Cc1nc(NC(=O)CN1CCOCC1)s2	MCULE-1796742934,PC-id_978304,CoCoCo_985545,EMOLS-id_42648791,ZINC22_20059518	338.425	VLOABKCKANAPIL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066795
Cc1ccc(CN2Cc3ccnn3CCC2CNS(=O)(=O)C)o1	EMOLS-id_313815337	338.425	ZSAZSUXOVYCLJZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066796
Cc1ccc(CN2Cc3ccnn3CC[C@@H]2CNS(=O)(=O)C)o1	ZINC22_585098619	338.425	ZSAZSUXOVYCLJZ-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066797
Cc1ccc(CN2Cc3ccnn3CC[C@H]2CNS(=O)(=O)C)o1	ZINC22_585098622	338.425	ZSAZSUXOVYCLJZ-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066798
Cc1ccc(CN2CCc3ncc(CNS(=O)(=O)C)n3CC2)o1	EMOLS-id_44328973,PC-id_97467164,ZINC22_96197020	338.425	PUFQMHZXYLOAJE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066799
CC(C)C1N(CCCn2ccnc12)S(=O)(=O)c1c(C)noc1C	EMOLS-id_97012384	338.425	WVLNCUNWSYUEED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066800
CN(Cc1ccco1)Cc1cnc2CCN(CCn12)S(=O)(=O)C	PC-id_97467239,ZINC22_96197096,EMOLS-id_44329113,CHEMBL3552357	338.425	MTIPBNYQWPSRER-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066801
CN(Cc1ccco1)C[C@H]1CN(S(=O)(=O)C)Cc2nccn2C1	ZINC22_96188692,PC-id_97463125	338.425	IOUIEIVUILDTEE-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066802
CN(Cc1ccco1)C[C@@H]1CN(S(=O)(=O)C)Cc2nccn2C1	ZINC22_96188693,PC-id_97463126	338.425	IOUIEIVUILDTEE-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066803
CN(CC1CN(Cc2nccn2C1)S(=O)(=O)C)Cc1ccco1	EMOLS-id_44326535	338.425	IOUIEIVUILDTEE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-066804
CNC(=O)C1OCCN(C1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_48826330,PC-id_75452641,MCULE-8070152506	338.425	QJLQKZGVQWADJP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066805
CNC(=O)[C@@H]1CN(C(=O)Nc2nc3c(s2)CCCCC3)CCO1	PC-id_97348702,ZINC22_96005569	338.425	QJLQKZGVQWADJP-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-066806
CNC(=O)[C@H]1CN(C(=O)Nc2nc3c(s2)CCCCC3)CCO1	ZINC22_96005570,PC-id_97348703	338.425	QJLQKZGVQWADJP-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066807
COCCC1CN(Cc2cccn2C1)S(=O)(=O)c1cn(C)cn1	EMOLS-id_313838121	338.425	BCUDNAOESIMXMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066808
COCC[C@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2cccn2C1	ZINC22_585095045	338.425	BCUDNAOESIMXMO-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066809
COCC[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2cccn2C1	ZINC22_585095046	338.425	BCUDNAOESIMXMO-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066810
CS(=O)(=O)NCC1CCn2nccc2CN1C(=O)C1=CCCC1	EMOLS-id_313817384	338.425	XJGRNHOXGDLDAN-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-066811
CS(=O)(=O)NCC1CN(Cc2ccnn2C1)C(=O)C1=CCCC1	EMOLS-id_50376177	338.425	MDRPAHVVFJQRKJ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-066812
CS(=O)(=O)NC[C@H]1CCn2nccc2CN1C(=O)C1=CCCC1	ZINC22_585098391	338.425	XJGRNHOXGDLDAN-CYBMUJFWSA-N	00000011100000000101000000000010000000000000000000000000	31-01-066813
CS(=O)(=O)NC[C@@H]1CCn2nccc2CN1C(=O)C1=CCCC1	ZINC22_585098393	338.425	XJGRNHOXGDLDAN-ZDUSSCGKSA-N	00000011100000000101000000000010000000000000000000000000	31-01-066814
CS(=O)(=O)NC[C@@H]1CN(C(=O)C2=CCCC2)Cc2ccnn2C1	ZINC22_306133154	338.425	MDRPAHVVFJQRKJ-GFCCVEGCSA-N	00000011100000000101000000000010000000000000000000000000	31-01-066815
CS(=O)(=O)NC[C@H]1CN(C(=O)C2=CCCC2)Cc2ccnn2C1	ZINC22_306133155	338.425	MDRPAHVVFJQRKJ-LBPRGKRZSA-N	00000011100000000101000000000010000000000000000000000000	31-01-066816
NC(=O)NC(C(=O)NNC(=O)c1sc2c(c1)CCCCCC2)C	EMOLS-id_23995053,PC-id_42910258,MCULE-2422405134	338.425	AOQGQMLITJCRQH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066817
NC(=O)N[C@H](C(=O)NNC(=O)c1sc2c(c1)CCCCCC2)C	CoCoCo_3415954,PC-id_35431130	338.425	AOQGQMLITJCRQH-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-066818
NC(=O)N[C@@H](C(=O)NNC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_35431124,CoCoCo_3415953	338.425	AOQGQMLITJCRQH-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066819
O=C(Nc1nc2c(s1)CCCCC2)NCC(=O)N1CCOCC1	EMOLS-id_110821922	338.425	QVPWGNVSJWHJBG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066820
C1CCc2c(CC1)sc(c2C(=O)N)N=Cc1nc2ccccc2[nH]1	PC-id_135856316	338.427	KBFRQIAJVGODBR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-066821
c1(csc(Cc2ccccc2)n1)C(=O)N1CCCn2cncc2C1	PC-id_70739488,EMOLS-id_44435721,ZINC22_82109314,MCULE-6557041114	338.427	CTHUWHUIDQPBDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066822
c1(sc2c(CCCCC2)n1)NC(=O)c1[nH]nc(c2ccccc2)c1	MCULE-3576175371,EMOLS-id_323278016	338.427	ZOHGXFKZCWVVCY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066823
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)c1cscn1	EMOLS-id_320248297,MCULE-8776029732	338.427	UAHTVCDIACRKGN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066824
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(s1)c1ccccc1	MCULE-8746911362,EMOLS-id_319896450	338.427	XQBTVPMYSKLIQI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066825
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cc1)c1c[nH]nc1	EMOLS-id_318984098	338.427	MAWKLWSNWPUMTI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066826
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc(c1)n1cccn1	EMOLS-id_319292269	338.427	SPUWSPNNDXSBJU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066827
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cc1)n1cccn1	EMOLS-id_320035643,MCULE-6093940220	338.427	QRXBYUFJWCMCHJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066828
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(nc1)n1cccc1	EMOLS-id_319874357	338.427	YTAOVURNLDMROW-UHFFFAOYSA-N	00000000110000101101100000000010000000000000000000000000	31-01-066829
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnn(c1)c1ccccc1	EMOLS-id_319559654	338.427	LZBSSKPIIKLYSL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066830
Cc1nc2c(s1)N(CCCC2)C(=O)c1n[nH]c(c1)c1ccccc1	EMOLS-id_319204249	338.427	QWBLDFCKGJPLRL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066831
Nc1nc2c(s1)CCN(CC2)CC#Cc1cccc2c1CC(=O)N2	SCHEMBL9872137,PC-id_19985707	338.427	ABJGIOJRQORWRZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066832
N#Cc1c(NC(=O)/C=C/c2cnccn2)sc2c1CCCCCC2	PC-id_75363909,ZINC22_84613400	338.427	ZJXABKGBECLFBH-BQYQJAHWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-066833
N#Cc1c(NC(=O)C=Cc2nccnc2)sc2c1CCCCCC2	MCULE-4682303792,EMOLS-id_44541818,PC-id_71889281	338.427	ZJXABKGBECLFBH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-066834
O=C(c1[nH]c(nc1C)c1cccnc1)N1CCCc2c(C1)ccs2	EMOLS-id_318822062	338.427	WUXSCOPRQYHHAP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066835
O=C(Nc1ccc(n2cccn2)nc1)c1cc2c(s1)CCCCC2	MCULE-9060726355,PC-id_39975092,ZINC22_32752999,CoCoCo_4692660,EMOLS-id_25020933	338.427	MQHBDNUZYULSSU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066836
O=C(Nc1cccnc1n1cccn1)c1cc2c(s1)CCCCC2	EMOLS-id_33346233,ZINC22_25010773,PC-id_32318608,MCULE-6435149895	338.427	BMYWDOVKYPWCEP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-066837
O=C(Nc1nc2c(s1)CCCCC2)c1cncn1c1ccccc1	ZINC22_12828759,CoCoCo_4546195,MCULE-9514031144,EMOLS-id_27383254,PC-id_25541158	338.427	DQQQCCKWWLPJMK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066838
O=C(Nc1nc2c(s1)CCCCC2)c1cnn(c2ccccc2)c1	ZINC22_12829145,EMOLS-id_30652715,PC-id_47018020,MCULE-6907388511	338.427	KFXXPQPUYBNKPB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-066839
s1c2c(CCCCC2)c(c1N/C=C
/N=c2c(=N1)cccc2)C(=O)N	PC-id_23764519	338.427	SBULQGIGRDGAGT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066840
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1[nH]cc(C)n1	EMOLS-id_44450885,PC-id_70783094,MCULE-9812158112,ZINC22_82161045	338.428	VJOAOTFVRDYMFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066841
CC1CN(CCNS(=O)(=O)c2cnn(c2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319360504	338.428	JWOYXQASUZCAEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066842
CC(c1nnc(n1C)S(=O)(=O)Cc1nnc2n1CCCCC2)C	EMOLS-id_100838959	338.428	INXMABRHHQZAOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066843
CCCC(=O)N1CSCC1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102160381	338.428	KCBFTEKNFSBGPD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-066844
CCCn1c(C)nnc1CS(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_98708949	338.428	NIYGKLRPRYICIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066845
CCn1ncc(n1)S(=O)(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_320020363,MCULE-9312666788	338.428	CNKMIPOTYAIIQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066846
CCS(=O)(=O)N1CC(Cn2c(C1)ncc2)Cn1nc(nc1C)C	PC-id_118739694	338.428	HDVPMFSIRGOBFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066847
Cn1cc(CN2CCc3ncc(CNS(=O)(=O)C)n3CC2)cn1	EMOLS-id_44328969,PC-id_97467162,ZINC22_96197018	338.428	SVSPVSRLCBSDIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066848
Cn1nc(c(c1)S(=O)(=O)N1CCCn2c(C1)cnn2)C(C)(C)C	EMOLS-id_318976843	338.428	AINXVRODBFPVMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066849
CN(Cc1cnc2n1CCN(CC2)S(=O)(=O)c1ncn(c1)C)C	PC-id_97466943	338.428	IXQMLNINUMWSBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066850
CN(C)CC1CN(Cc2nccn2C1)S(=O)(=O)c1cn(C)cn1	EMOLS-id_46160509	338.428	AKGZHMRSYGQJOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066851
CN(C)C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2nccn2C1	ZINC22_96066892,PC-id_97389226	338.428	AKGZHMRSYGQJOM-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066852
CN(C)C[C@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2nccn2C1	ZINC22_96066893,PC-id_97389227	338.428	AKGZHMRSYGQJOM-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066853
s1c2n(c(/C=C(/c3n4CCCCCc4nn3)C#N)c(n2)C)cc1C	PC-id_52541380	338.43	WTZCJCROUDHDFD-MDWZMJQESA-N	00000000100000000101000100000010000000000000000000000000	31-01-066854
s1c2n(c(C=C(c3n4CCCCCc4nn3)C#N)c(n2)C)cc1C	PC-id_75864619	338.43	WTZCJCROUDHDFD-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-066855
NC(=O)C(C1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2)F	EMOLS-id_279009952	338.44	KITTVYHAFFEIGH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-066856
c1(C(=O)N2CCC(CC2)Cc2ccccc2)c2CCCCCc2on1	MCULE-4401668920,EMOLS-id_48570420,PC-id_71701400,STOCK7S-44421,ZINC22_95472921	338.443	QZRSGOHWFYFFLH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-066857
CCCCC#Cc1cc(c2-c1cc(C#N)c(cc2)C#N)C#CCCCC	PC-id_101509432	338.445	MRPLJTQKAKAOMS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-066858
CC(CCC(CNC(=O)Cn1nc2n(c1=O)CCCCC2)(O)C)C	PC-id_111485486	338.445	DCYFKJAYHYXBCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066859
Clc1c(C(=O)Nc2sc3CCCCCCc3n2)c(F)ccc1	PC-id_56060792	338.827	BCBCUCMEOGQEJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067047
CCCC(CNC(=O)Cn1nc2n(c1=O)CCCCC2)(CCC)O	PC-id_111444794	338.445	HIALPLLKXUAEOV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066860
CC[C@H](COc1c2CN(CCCc2nn1C)C(=O)OC(C)(C)C)N	PC-id_136590242	338.445	GJCZOFRGIZQAJB-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066861
COc1ncc(cc1C)S(=O)(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319548245	338.445	MRZIPINTVPMGOB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-066862
N(c1c2-c(c(Nc3cc(ccc3)C)c1)ccccc2)c1cc(ccc1)C	PC-id_85692475	338.445	YNRPFVVCKXHDIU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-066863
N(c1c2-c(c(Nc3ccc(cc3)C)c1)ccccc2)c1ccc(cc1)C	PC-id_85692478	338.445	XWXSHSAOKZMMCH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-066864
N(c1cc2-c(cc(Nc3cc(ccc3)C)c1)ccc2)c1cc(ccc1)C	PC-id_85699328	338.445	NOWARRNXUXACST-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-066865
N(c1cc2-c(cc(Nc3ccc(cc3)C)c1)ccc2)c1ccc(cc1)C	PC-id_85699331	338.445	AIFBZAAMCPPKIH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-066866
N#Cc1ccc2-c(cc1C#N)c(cc2C#CC(C)(C)C)C#CC(C)(C)C	PC-id_101509431	338.445	MTTXUPLPZHLDBT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-066867
N#Cc1c(NC(=O)C2CCS(=O)(=O)C2)sc2c1CCCCC2	PC-id_56810211,EMOLS-id_36907518,MCULE-2555592499	338.445	HVEWCJMUOYSOMX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066868
N#Cc1c(NC(=O)[C@H]2CCS(=O)(=O)C2)sc2c1CCCCC2	PC-id_95568336,ZINC22_71794693	338.445	HVEWCJMUOYSOMX-JTQLQIEISA-N	00000010100000000100000000000010000000000000000000000000	31-01-066869
N#Cc1c(NC(=O)[C@@H]2CCS(=O)(=O)C2)sc2c1CCCCC2	ZINC22_71794692,PC-id_95568335	338.445	HVEWCJMUOYSOMX-SNVBAGLBSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066870
N#Cc1c(NC(=O)CSCC(=O)O)sc2c1CCCCCC2	MCULE-5220295745,SPECS-id_AN-153/I153318,PC-id_3455683	338.445	KCCARYXWMJKEQM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066871
OCCC(CC(C)C)CNC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_111662593	338.445	LQWOEKDBLIGBKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066872
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCOCC1)C(=O)N	PC-id_2241029	338.445	BHTNEIQFRWKSRZ-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-066873
c12C(=O)NCCCc1[nH]c(CC1CCCCN1Cc1ccccc1)n2	EMOLS-id_232797985,MCULE-8647741942,PC-id_50963853	338.447	SMCBPEFEQLCRBR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-066874
C1CC1CNC(=O)c1cnc2n1CCN(CC2)CCc1ccccc1	PC-id_134807137	338.447	IDRVYIUEUXOUSG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066875
c1(cc2n(CCCN(C)C2)n1)C(=O)N1CCCC1c1ccccc1C	EMOLS-id_32404594,PC-id_50967377,MCULE-9814339712	338.447	IOKKWMSNHSJHOR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066876
c1(cc2n(CCCN(Cc3ccccc3)C2)n1)C(=O)N1CCCC1C	MCULE-8323139809,EMOLS-id_36439790,PC-id_56709945	338.447	ONJCPSVGTRKCQD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066877
C1CCC(C1)CN1CCc2ncc(n2CC1)C(=O)Nc1ccccc1	PC-id_134810319	338.447	KOJLYQRDKRTUMP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066878
C1=C(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)COCC1	PC-id_121547552,EMOLS-id_75977171,ZINC22_185380319,MCULE-2390124247	338.447	FGLSOYPSOGQGSR-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-066879
c1(CN2CC(C)(c3ccccc3)CCC2=O)nnc2CCCCCn12	EMOLS-id_46066019,PC-id_72894265,MCULE-9355804535	338.447	OGJMSTORWNGCBX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-066880
Brc1ccc(nc1)CSc1nnc2n1CCCCC2	PC-id_113234594	339.254	KOOXJMNZHFLVKS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067092
c1(CN(C)C(=O)c2ccccc2NCC=C)c2CCCCCc2[nH]n1	MCULE-7692972194,ZINC22_55359321,PC-id_50976735,EMOLS-id_32228566	338.447	JYEWHKLNPWSUJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066881
c1(C(=O)N2CCN(CC2)Cc2ccccc2)c2CCCCCc2n[nH]1	MCULE-3116484258,STOCK7S-46558,ZINC22_96231237,EMOLS-id_50403844,EMOLS-id_49247582,PC-id_75489703	338.447	KUHTWQANXBEQTE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-066882
c1(C(=O)Nc2ccc(cc2)N2CCCCC2)c2CCCCCc2[nH]n1	EMOLS-id_335026871,MCULE-3364491268	338.447	AOAJLASBKKNDEF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-066883
c1(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc2n(CCCN(C(C)C)C2)n1	PC-id_50984289,ZINC22_65530514,MCULE-5341514639,EMOLS-id_32436332	338.447	QYIXGHBEFJYLOD-ZWKOTPCHSA-N	00100000100000110101100000000010000000000000000000000000	31-01-066884
C[C@]1(c2ccccc2)CCC(=O)N(Cc2nnc3n2CCCCC3)C1	ZINC22_91677782,PC-id_97134511	338.447	OGJMSTORWNGCBX-FQEVSTJZSA-N	00000000100010110101100000000010000000000000000000000000	31-01-066885
C[C@@]1(c2ccccc2)CCC(=O)N(Cc2nnc3n2CCCCC3)C1	ZINC22_91677790,PC-id_97134512	338.447	OGJMSTORWNGCBX-HXUWFJFHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-066886
CC1(C)Cc2n[nH]cc2CN(CC(=O)Nc2ccc3c(c2)CCC3)C1	MCULE-3767551483,EMOLS-id_316901609,PC-id_136553150,ZINC22_664868742	338.447	QPYCIMRXNDARLZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066887
Cc1ccccc1C1(CCC1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_318290307	338.447	RHIRWWDVNJHQEO-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-066888
Cc1cccc(c1)C1(CCCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278132664	338.447	KWVTWIDXLMMNRB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066889
Cc1ccc(cc1)C1CN(C(C1)C)C(=O)C1CCn2c(CC1)nnc2	MCULE-7657234444,EMOLS-id_320245117	338.447	XQZAJKOVWUTEGI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066890
Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc2n(n1)CCCN(C)C2	PC-id_95129698,ZINC22_65410758	338.447	IOKKWMSNHSJHOR-IBGZPJMESA-N	00000010100000110101100000000010000000000000000000000000	31-01-066891
Cc1ccccc1[C@H]1CCCN1C(=O)c1cc2n(n1)CCCN(C)C2	ZINC22_65410759,PC-id_95129699	338.447	IOKKWMSNHSJHOR-LJQANCHMSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066892
Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCc1nnc2n1CCCCC2	PC-id_96327756,ZINC22_76956516	338.447	MKFOCDWEDQVZJH-SJORKVTESA-N	00100000100000110101100000000010000000000000000000000000	31-01-066893
Cc1ccccc1[C@H]1C[C@H]1C(=O)NCCc1nnc2n1CCCCC2	PC-id_96327758,ZINC22_76956518	338.447	MKFOCDWEDQVZJH-IAGOWNOFSA-N	00100000100000110101100000000010000000000000000000000000	31-01-066894
Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCc1nnc2n1CCCCC2	ZINC22_76956515,PC-id_96327755	338.447	MKFOCDWEDQVZJH-IRXDYDNUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-066895
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCc1nnc2n1CCCCC2	ZINC22_76956517,PC-id_96327757	338.447	MKFOCDWEDQVZJH-DLBZAZTESA-N	00100000100000110101100000000010000000000000000000000000	31-01-066896
Cc1ccccc1CN1Cc2ccnn2CCC1CNC(=O)C1CC1	EMOLS-id_313818407	338.447	TVTHJHHMYBGQLV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066897
Cc1ccccc1CN1Cc2ccnn2CC[C@@H]1CNC(=O)C1CC1	ZINC22_585098074	338.447	TVTHJHHMYBGQLV-GOSISDBHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066898
Cc1ccccc1CN1Cc2ccnn2CC[C@H]1CNC(=O)C1CC1	ZINC22_585098077	338.447	TVTHJHHMYBGQLV-SFHVURJKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066899
Cc1ccccc1C(=O)N1CCc2ncc(CN3CCCC3)n2CC1	ZINC22_96196866,PC-id_97467010,EMOLS-id_44328665	338.447	OGAMMEWLPGRSOR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066900
Cc1ccccc1C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	EMOLS-id_44370132,ZINC22_96259294,PC-id_97519378	338.447	ZUOJHQYRFZTQKZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066901
Cc1cccc(c1)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	EMOLS-id_44370134,PC-id_97519379,ZINC22_96259295	338.447	VUJULEPDQBTJIY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066902
Cc1ccc(cc1)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	PC-id_97519380,EMOLS-id_44370136,ZINC22_96259296	338.447	BFFAOKNHTWRRHG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066903
Cc1cccc(c1)N1CCN(CC1)C(=O)c1n[nH]c2CCCCCc12	MCULE-9706128948,EMOLS-id_334785048	338.447	YFXYTGQKBNTVLP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-066904
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)CN1CCCC1	MCULE-6108476286,EMOLS-id_319989728	338.447	WYXIOFUSGFYCHA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066905
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)ccc1N1CCCC1	EMOLS-id_319033945	338.447	KWUSRRJJUDCBLX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066906
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCN1Cc1ccccc1	EMOLS-id_319172621	338.447	JTVLNEVWRFGOLA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066907
CC1CN(Cc2ccc(cc2)C(=O)N2CCCC2)Cc2c(C1)[nH]nc2	EMOLS-id_319637523	338.447	HYFDGISCOUVOBW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066908
CC1CN(CC2CCN(C2)C(=O)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_319498507	338.447	ATQQKFRYGWPOPN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066909
CC1CN(CC(=O)NC2(CCC2)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_319173228	338.447	SUCWTNSZALTPAB-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-066910
CC1CN(CC(=O)NCC2(CC2)c2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_319117244	338.447	SUNFFYCRWUTRHG-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-066911
CCc1ccc(cc1)C1CCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319618549	338.447	OCPIWYONBKXBDW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066912
CCC(c1nn2CCCN(Cc2c1)CCc1c[nH]c2ccccc12)O	PC-id_91772892	338.447	KULDHTMGCYYQNH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066913
CC[C@H](c1nn2c(c1)CN(CCC2)CCc1c[nH]c2c1cccc2)O	PC-id_99973999	338.447	KULDHTMGCYYQNH-HXUWFJFHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066914
CC[C@@H](c1nn2c(c1)CN(CCC2)CCc1c[nH]c2c1cccc2)O	PC-id_99974000	338.447	KULDHTMGCYYQNH-FQEVSTJZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-066915
CC(C)N1CCCn2nc(C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2C1	ZINC22_210412488	338.447	QYIXGHBEFJYLOD-MSOLQXFVSA-N	00100000100000110101100000000010000000000000000000000000	31-01-066916
C#CCOc1ccccc1CNCCCc1nnc2n1CCCCC2	PC-id_119110717	338.447	RCDLVSZPHJENHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-066917
C[C@@H]1CCCN1C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2	ZINC22_67818808,PC-id_95214536	338.447	ONJCPSVGTRKCQD-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066918
C[C@H]1CCCN1C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2	ZINC22_67818810,PC-id_95214537	338.447	ONJCPSVGTRKCQD-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066919
CC(N(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1)C1CC1	EMOLS-id_278112145	338.447	FYXJYJFHXVSEJJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066920
CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319544700	338.447	KSJJGOQEPDOBDA-CXRLMVSZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-066921
n1c(CN2CCC(CC2)C(=O)c2ccccc2)cc2CNCCCn12	MCULE-8501189853,PC-id_56900397,EMOLS-id_43131225,ZINC22_72165005	338.447	GJPUNPCCQYUBQS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-066922
O=C1CC[C@@H](NCc2cnc3n2CCCCC3)[C@H](c2ccccc2)N1	ZINC22_1875284005,PC-id_146145262	338.447	ITVFIILEGPJJJT-XLIONFOSSA-N	00000000100010110101100000000010000000000000000000000000	31-01-066923
O=C1NCCCc2nc(C[C@H]3CCCCN3Cc3ccccc3)[nH]c12	ZINC22_65404936	338.447	SMCBPEFEQLCRBR-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-066924
O=C1NCCCc2nc(C[C@@H]3CCCCN3Cc3ccccc3)[nH]c12	ZINC22_65404937	338.447	SMCBPEFEQLCRBR-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-066925
O=C(C1CC1c1ccccc1C)NCCc1nnc2n1CCCCC2	PC-id_72003856,EMOLS-id_49040200,MCULE-7411735583	338.447	MKFOCDWEDQVZJH-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-066926
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O=C(C1CCn2c(CC1)nnc2)NC1(CCCC1)Cc1ccccc1	EMOLS-id_316713727	338.447	YLXWLALBCHRALT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066928
O=C(C1CCn2c(CC1)nnc2)NCC1(CCC1)Cc1ccccc1	EMOLS-id_319575739	338.447	DVMTXUPPLROTPG-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-066929
O=C(c1cnc2n1CCCCC2)N1CCCC(C1)Nc1ccccc1	MCULE-1667332855,EMOLS-id_318294078	338.447	AZQNGDIDSFFJAL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-066930
O=C(c1cnc2n1CCCCC2)N1CCC(CC1)Nc1ccccc1	MCULE-8443435915,EMOLS-id_318613765	338.447	WTMGJBRENOQMMV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-066931
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O=C(c1n[nH]c2c1CCCCC2)N1CCNC(C1)c1ccccc1C	EMOLS-id_316613116	338.447	RRPRVBJCOQYYPJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-066935
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O=C(CC1CC1)NCc1cnc2CCN(Cc3ccccc3)CCn12	ZINC22_96197043,PC-id_97467187,EMOLS-id_44329015	338.447	RXYJEKMEVBOENZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-066939
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O=C(Cc1ccccc1)N1CC(CN2CCCC2)Cn2ccnc2C1	PC-id_118744948,EMOLS-id_44326215	338.447	IHUORWJOIXFGCO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066942
O=C(Cc1ccccc1)N1CCCn2cnc(CN3CCCC3)c2C1	ZINC22_96259293,PC-id_97519377,EMOLS-id_44370130	338.447	MDFCWYXOYQTPEZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-066943
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O=C(N1CCCc2c(C1)cnn2C)NCC1(C)Cc2c(C1)cccc2	EMOLS-id_101719482	338.447	UDTXZBMRNYYZTR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066947
O=C(N1CCN(CC1)c1ccccc1)Cn1cc2c(n1)CCCCC2	PC-id_20892414,CoCoCo_2192239	338.447	RBPPWDAYZVSRTE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-066948
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COCCOCCCNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111404435	338.448	QVJHZDCMUYUUIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066951
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c12CN(CCC)CCCn1nc(CNc1nc(C)cc(C)c1C#N)c2	ZINC22_82087386,EMOLS-id_44424587,PC-id_70708015,MCULE-6162390765	338.45	YBOKWVRMWKDAJC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-066953
CCNC(=NCc1nnc2n1CCCCC2)N1CCc2c1cccc2	PC-id_110984792	338.45	NAELJIVEWLHPNO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066954
CN=C(N1CCc2c1cccc2)NCCc1nnc2n1CCCCC2	PC-id_110985066	338.45	UCJMAFSRYVXIHT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-066955
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c12C(CCCCn1nnn2)C(=O)NCc1csc(CSC)n1	PC-id_74231913,MCULE-6785171879,EMOLS-id_49642656	338.452	GEQLOWORLMFHHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066957
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CSCc1nc(CNC(=O)[C@H]2CCCCn3nnnc23)cs1	PC-id_97862171,ZINC22_97259194	338.452	GEQLOWORLMFHHA-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-066960
O=C(CSc1scnn1)NCCc1nnc2n1CCCCC2	EMOLS-id_97941376	338.452	BQHHYJOEMRFHLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066961
CCCNCCC(n1ccc2c1C=CCCC=C2)c1cccc(c1)F	PC-id_143120384	338.462	LKFZPZGUVPSCJZ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-066962
Brc1cc(N)c(Sc2n3CCCCCc3nn2)cc1	PC-id_28401614	339.254	NDDYIIPTAIXSBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067093
c1(NC(=O)CNC(C)C)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_2017655,ZINC22_3684111,MCULE-5271309135,CoCoCo_678450,PC-id_2860346	338.465	IELBRIFXKKKFKD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066963
COC[C@@H]1CCCN1C(=O)c1cc2c(s1)CCN(CC2OC)C	PC-id_145481249	338.465	WUVJBHSAHCHHSY-NBFOIZRFSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066964
COC[C@@H]1CCCN1C(=O)c1cc2c(s1)CCN(C[C@H]2OC)C	PC-id_145481258	338.465	WUVJBHSAHCHHSY-GXTWGEPZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-066965
CO[C@H](C(=O)O)C1CCN(Cc2nc3c(s2)CCCCC3)CC1	ZINC22_2325788131	338.465	NTGDVCDQSRTSAN-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066966
CO[C@@H](C(=O)O)C1CCN(Cc2nc3c(s2)CCCCC3)CC1	ZINC22_2325788132	338.465	NTGDVCDQSRTSAN-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066967
O=C(Nc1sc2c(n1)CCCCCC2)CCOCC1CCCO1	EMOLS-id_98551343	338.465	VTDYELWXEXFDFR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-066968
s1c2CCCCCc2cc1C(=O)NNC(=O)CCOCC(C)C	PC-id_40394282	338.465	BSFNIPBQYPGQMN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-066969
C1CCN(CC1)Cc1ccc(cc1)Oc1nc2c(s1)C=CCC=C2	PC-id_143381829	338.466	IRYDOWXMEOBMFG-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-066970
c1(NC(=O)c2ccc(cc2)C(C)C)sc2c(CCCCC2)c1C#N	TIMTEC548382,MCULE-6266488720,EMOLS-id_4018401,PC-id_4446037,ZINC22_2742016,CoCoCo_5817877	338.466	XJMZCSBBXAIVMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066971
c1(NC(=O)Cc2ccc(cc2C)C)sc2c(CCCCC2)c1C#N	ZINC22_5268026,EMOLS-id_5605169,CoCoCo_5174468,PC-id_7596912,MCULE-7506328730	338.466	UDNAZNYQEHBXHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066972
c1(NC(=O)CCc2ccccc2)sc2c(CCCCCC2)c1C#N	SPECS-id_AK-968/40335917,MCULE-6543306958,TIMTEC407634,ZINC22_226409,CoCoCo_1713819,EMOLS-id_5387702,PC-id_759528	338.466	QOLGQENCBUTYGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066973
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CN(Cc1cccc(C#N)c1)C(=O)c1cc2c(s1)CCCCCC2	EMOLS-id_27402446,PC-id_40028020,CoCoCo_4779400,MCULE-2497349183,ZINC22_32796563	338.466	MNVRLYZSRGESPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066975
CN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(s1)CCCCCC2	MCULE-8813789447,PC-id_39858195,EMOLS-id_30732131,ZINC22_32614584	338.466	QHKYNSJLXNWILC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066976
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s1c2c(CCCCC2)c(c1)C(=O)NCCc1c2c([nH]c1)cccc2	PC-id_20881861	338.466	NSNYNNIKAIPLDZ-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-066978
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s1c2CCCCCc2c(c1NC(=O)Cc1ccc(cc1)CC)C#N	PC-id_41618632	338.466	OZFNKTJFMUMNIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066980
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s1c2CCCCCc2c(c1NC(=O)C(CC)c1ccccc1)C#N	PC-id_4558372	338.466	GFGXDPAZANFFRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066982
s1c2CCCCCCc2cc1C(=O)N(Cc1ccccc1)CC#N	PC-id_52688630	338.466	HDHGVPYFVOWPDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-066983
CC(CN1CCS(=O)(=O)c2c(C1)cc(s2)S(=O)(=O)N)C	PC-id_19106463,SCHEMBL9428734	338.467	HPNXFCPELAUOKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066985
c1(NC(=O)CCC(=O)NCCN(C)C)sc2c(CCCCC2)n1	MCULE-9088325265,EMOLS-id_334932692	338.468	VHXQGEJRXPMSHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066986
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CN1CCC(CC1)(O)CNC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111120530	338.468	DWHGTMVUUQPVSF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066990
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CSC1(CCOCC1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101721432	338.468	ZFMZWZMZARUJDS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066992
NCC1OCCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101825064	338.468	OSYNSSZZYOUYRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-066993
OCCN1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111889880	338.468	KYMGSIHSWNXZHT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-066994
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c1ccc(cc1)CCc1nnc2n1CCN(CC2)Cc1cccs1	ChEMBL-DNDi_CHEMBL32786560	338.47	OECUMHNFEDXZEB-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-067004
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CCSC1CCCC(C1)NC(=O)NC1CCc2n(CC1)nnn2	EMOLS-id_102182742	338.472	UZYRPWXMLLQICQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067009
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CSCC1CCC(CC1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182841	338.472	VUJGPKXGSOSAIT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067012
O(CCCCc1c2-c(cc(CC(C)C)cc1)c(cc2)C)C(=O)CC=C	PC-id_85618702	338.483	APKDOYQDWHSHKK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067013
c1(NC(=S)NCC=C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3699665,SPECS-id_AJ-292/40461141,ChemDIV3379-1696,ZINC22_3900227,MCULE-4970748618,CoCoCo_1740605,CK1234318,EMOLS-id_935944	338.488	DSIPLYKUIJIAAX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067014
OCC(CSCC(=O)Nc1sc2c(c1C#N)CCCCC2)C	PC-id_111463766	338.488	LTAVAPDDTCDDCG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067015
s1c2c(CCCCC2)c(c1NC(=S)N1CCCC1)C(=O)OC	PC-id_19653644	338.488	YAICRSSHOIOPQO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-067016
s1c2c(CCCCC2)c(c1NC(=S)NC1CC1)C(=O)OCC	PC-id_19650409	338.488	DHNUEWYFVBFIMZ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-067017
s1c2c(CCCCCC2)c(c1NC(=S)NC1CC1)C(=O)OC	PC-id_19650403	338.488	QBBWNHJTOIBOGA-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-067018
s1c2c(CCCCCC2)c(c1NC(=S)NCC=C)C(=O)OC	PC-id_17297671	338.488	DPJHLLQVIVXSOC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067019
c1ccc(cc1)N1CCN(CC1)CCCc1[nH]nc2c1CCCCC2	SCHEMBL5772457,PC-id_17773059	338.49	NLVWTBCLXHAZCJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067020
c1ccc(CCc2nnc3n2CCN(CC2CCCCC2)CC3)cc1	MCULE-2753030115,ZINC22_299771976,PC-id_118755580,EMOLS-id_68882756,ChEMBL-DNDi_CHEMBL25216766	338.49	YOUNISUDHGIYFT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-067021
CCNC(=O)[C@@H]1CC[N@H+](CC1)Cn1nc2n(c1=S)CCCCC2	GD-id_ZINC26643941	338.491	TUVYBJFOARXBCZ-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-067022
c12CN(CCCn1nc(CNC(=O)CCSCC)c2)CC(C)C	ZINC22_82156046,PC-id_70777717,EMOLS-id_44448995,MCULE-7072144005	338.511	KEEXVINTNMNFAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067023
S(c1n2CCCCCc2nn1)CC(=O)NC(CC(C)(C)C)(C)C	PC-id_8379702	338.511	BMRIHQBLELVLCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067024
CCNC(=NCc1nnc2n1CCCCC2)NCC(SC)(C)C	PC-id_111611512	338.515	FLJMCQZCZARTDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067025
CN=C(NCC(SC)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111610930	338.515	KFUZXZGKKSDVDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067026
CSCCCCNC(=NCc1nnc2n1CCCCC2)NCC	PC-id_111628836	338.515	UWENHXXOUWNFSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067027
CSCCCCNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111628156	338.515	MKKONODJXJLUQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067028
CSCCNC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_111344679	338.515	JALBUCSWOBCOCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067029
S1CCN(CCCCN2CCCCC2)C(=O)c2c1sc(c2)C	PC-id_19881099	338.531	YUENRFOTDBUJDJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067030
CCC(c1sc(c2c1OCC(CO2)C)C(CC)(CC)C)(CC)C	PC-id_71161074,SCHEMBL14396074	338.548	JFCUOMGWQLAYBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067031
CC(c1cnn2c1CCCCCCCC(C2)(C)C(O)C)C(S)C	SCHEMBL18464431	338.551	XKQMFNNBEBCVCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067032
C(CCCCCCc1c2-c(cc1)ccccc2)CCCCCCCC	PC-id_19996722	338.569	FAPPVFDJGHUECG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067033
CC1=CCc2c(C(=N1)Cl)n(cc2)Cc1ccc(cc1)C(F)(F)F	PC-id_90253408,SCHEMBL15839730	338.755	OPFFWOLSUABBFG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-067034
Cn1nc2CCC(CCn2c1=O)NC(=O)c1cc(F)ccc1Cl	EMOLS-id_50586095,PC-id_91910828,MCULE-3743300875	338.765	CMSYXOGHQBIRJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067035
Cn1nc2CCC(CCn2c1=O)NC(=O)c1c(F)cccc1Cl	PC-id_91910826,EMOLS-id_50586093,MCULE-2726499198	338.765	JHJZVGXJXHBLTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067036
Fc1cccc(Cl)c1CC(=O)NC1CCc2n[nH]c(=O)n2CC1	EMOLS-id_50586157,PC-id_91910801,MCULE-6449377300	338.765	ZVLOUZGZWICHAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067037
Fc1ccc(NC(=O)Cn2nc3CCCCCn3c2=O)cc1Cl	ZINC22_11049100,MCULE-2725060269,EMOLS-id_17221352,SPECS-id_AT-687/NB01997,CoCoCo_4447307,PC-id_24251076	338.765	WRKKEWZZVCIFGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067038
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(Cl)cc1F	ZINC22_29108251,PC-id_36282839,EMOLS-id_48209460,MCULE-7405184397	338.765	QTGVWONSOQEJID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067039
O=C(Nc1cc(C)c(cc1Cl)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102012640	338.768	RYDFTTOODKNLJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067040
c12C(=O)NCCCc1nc(NC(=O)c1cnc(O)c(Cl)c1)s2	MCULE-4661144686,EMOLS-id_50139255,PC-id_72720022,ZINC22_211130902	338.769	QVQBJDDJUPAKPR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067041
COc1ccc(CN2CCc3n[nH]c(=O)n3CC2)c(Cl)c1OC	MCULE-8757500624,EMOLS-id_50589923,PC-id_91922378	338.789	KIGHFLJVMUYZKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067042
CCn1cc(Cl)c(NC(=O)Cn2nc3n(c2=O)CCCCC3)n1	PC-id_146137963,ZINC22_1647399970	338.793	DFUWIKRPZULCPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067043
Cn1c(=O)n2CCC(CCc2n1)N(C)Cc1cc(c(cc1)F)Cl	MCULE-3078750927,EMOLS-id_50586183,PC-id_91922710	338.808	NTEUZZKLYHDTKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067044
CN(Cc1ccc(Cl)c(F)c1)C1CCc2nn(C)c(=O)n2CC1	MCULE-7483773420,EMOLS-id_97041756	338.808	SFFCHSPHNXNJMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067045
Clc1c(C(=O)Nc2sc3CCCCCCc3n2)ccc(F)c1	PC-id_56022614	338.827	DAIKJQIQOFHXDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067046
O=C(Cc1c(F)cccc1Cl)Nc1nc2c(s1)CCCCC2	MCULE-7042334266,PC-id_26157907,EMOLS-id_24969727,CoCoCo_4546055,ZINC22_14554166	338.827	UOLZIXDFEOAGHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067048
Clc1c2-c(c(cc(cc2C)C)C)c(/N=N/c2ccc(OC)cc2)c1	PC-id_10617019	338.831	MKOSQHAELFWYRI-GHVJWSGMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-067049
O=C(OC(C)(C)C)NCCn1cc(c2c1N=CC(Cl)N=CC2)C	SCHEMBL21388263,PC-id_139516000	338.832	VCPDVYAIDGAAEV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-067050
Clc1ccc(c2c(nccc2)Cn2ncc3c2CCNCC3)cc1	PC-id_69050296,SCHEMBL4453410	338.834	NMPRZYJJOHYAQE-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-067051
Clc1ccc(cc1)C(c1n[nH]c2c1CCNCC2)c1ccccn1	SCHEMBL4453412,PC-id_69050297	338.834	QGILLTXPGCKCHG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-067052
Clc1sc(nn1)C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_80617990	338.836	LANFXOUKGHVBHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067053
CCC(c1ccc(s1)Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320142053,MCULE-3245977124	338.856	IJWUFULVRVTXGD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067054
CCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc(s1)Cl	EMOLS-id_320338706,MCULE-5447334653	338.856	XRDJDAOAJDZRPZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067055
O=C(CCc1ccc(Cl)s1)NCc1nnc2n1CCCCC2	MCULE-9062838929,ZINC22_44337635,EMOLS-id_32000198,PC-id_45830394	338.856	HLEJAEIUHHZBEE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067056
C1CCCCC(c2c(CCCC1)cc([nH]2)/C=NOCCCl)C=O	SCHEMBL13962405,PC-id_136502597	338.872	QKZYZONRRCSYHG-MOSHPQCFSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067057
ClC1CCC(CC1)C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_319069052	338.875	ROFPOOYEQHMDOR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067058
ClCC(=O)Nc1sc2CCCCCCCCCCc2c1C#N	PC-id_20106825	338.895	QOHWSEPIACZSNL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067059
ClC(c1sc2c(CCCCC2)c1)c1sc(C(C)(C)C)cc1	PC-id_81635297	338.958	IRRHYGCHYZDHPT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-067060
C1CN(CCc2c1c(c(s2)Br)Br)C=O	PC-id_89116473,SCHEMBL13560098	339.047	OZPAWRZXSAWDTD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067061
CCC1C=CC2=C(N=C1SCC(=O)OC)SC(=C2)C(=O)OC	PC-id_147883939	339.06	IAYQCWHVAQRXQB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-067062
COC(=O)c1c2-c(c(c1O)C(=O)OC)ccc(cc2)Br	PC-id_102239098	339.138	RPOVFPCRHTVRAI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067063
COC(=O)c1c(O)c(c2-c1cc(Br)ccc2)C(=O)OC	PC-id_102009203	339.138	WKLZXKISUYCQGZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067064
CN1CCC2=C(C=C(S2)C(=O)N3CC(C(C3)OC)N)C(C1)OC	PC-id_161120432	339.162	XCEVUYZRGUDMKL-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-067065
Brc1cnc(c(c1)F)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318964413	339.163	OEINRZRWCHBVLT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067066
Brc1oc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266227	339.188	GSFAEIZIVGGMCL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-067067
Brc1c[nH]c(c1)CNC(=O)C1CCn2c(CC1)nnn2	MCULE-6699174418,EMOLS-id_316537199	339.191	OUUUSEHSMUURFR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-067068
O=C(NCc1cc(Br)c[nH]1)[C@@H]1CCc2nnnn2CC1	ZINC22_1775986580	339.191	OUUUSEHSMUURFR-MRVPVSSYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-067069
O=C(NCc1cc(Br)c[nH]1)[C@H]1CCc2nnnn2CC1	ZINC22_1775986581	339.191	OUUUSEHSMUURFR-QMMMGPOBSA-N	00000000110000000101000000000010000000000000000000000000	31-01-067070
Brc1cc(ccc1F)NCc1nnc2n1CCCCC2	EMOLS-id_318123510,MCULE-6675007030	339.206	XEKPZLIRRYFHFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067071
Brc1ccc(c(c1)F)NCc1nnc2n1CCCCC2	EMOLS-id_318239775,MCULE-1183962577	339.206	KBSLNGPDJZYIJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067072
CC1CN(Cc2ncc(cc2F)Br)Cc2c(C1)[nH]nc2	EMOLS-id_319204202	339.206	MGOTVFFVGIOTDA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067073
Fc1cc(ccc1Br)NCc1nnc2n1CCCCC2	MCULE-8041304930,EMOLS-id_318035584	339.206	QLJGWXAUMHOSER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067074
Fc1c(cccc1Br)NCc1nnc2n1CCCCC2	MCULE-8042091060,EMOLS-id_318211359	339.206	SUZIWPJMQKHMRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067075
Fc1cccc(c1NCc1nnc2n1CCCCC2)Br	MCULE-1335165843,EMOLS-id_318265689	339.206	YKLPUIXGNMMMMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067076
Fc1ccc(c(c1)NCc1nnc2n1CCCCC2)Br	MCULE-6615735203,EMOLS-id_318248972	339.206	QTYHCQPPBAJFMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067077
Cc1cc2c(s1)N(CCCC2=O)SI	PC-id_137384657,SCHEMBL20614959	339.216	SGOSHHHKBADUBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067078
Clc1ccc(c(c1)Cl)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845918	339.22	VTTDJNZXDNGZFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067079
Clc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101845903	339.22	LACHIMFWKPDTBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067080
Clc1ccc(C(=O)NCc2nnc3CCCCCn23)c(Cl)c1	CoCoCo_411140,EMOLS-id_1546924,ZINC22_2375424,PC-id_659583,TOSLab_5380,MCULE-6432905370,TOSLab_2891	339.22	ZSAXADNMPZPUSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067081
Clc1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1Cl	PC-id_51266217	339.22	LGEZSWRFQSKDEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067082
Clc1cc(C(=O)NCc2n3CCCCCc3nn2)cc(Cl)c1	PC-id_51266229	339.22	YLMMPGUNFSKWRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067083
Clc1c(C(=O)NCc2n3CCCCCc3nn2)cccc1Cl	PC-id_46524808	339.22	HFOZSLVTLHQBSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067084
Clc1c(C(=O)NCc2n3CCCCCc3nn2)cc(Cl)cc1	PC-id_30547195	339.22	OZTLBMSBYLJMRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067085
O=C(C1CCn2c(CC1)nnc2)Nc1cc(Cl)c(c(c1)Cl)C	EMOLS-id_278127864	339.22	ZFGHKEVQXBPHCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067086
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)Cl)Cl	EMOLS-id_101847136	339.22	VUOJCKJWPJRLIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067087
Brc1oc(CNC(c2n3CCCCCc3nn2)C)cc1	PC-id_43746935	339.231	DQISPISZZXVXGD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-067088
CN(Cc1ccc(Br)o1)C1CCc2nnc(C)n2CC1	MCULE-7989002339,EMOLS-id_239612769	339.231	VNNPQWQYFXLAFV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-067089
Brc1cnn(c1C(=O)c1cc2c(s1)CCCCC2)C	PC-id_115814958	339.251	UMSNDFDDBZTSJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067090
Brc1c(C)ccnc1Sc1nnc2n1CCCCC2	PC-id_113888221	339.254	OXEFXWQBHNKORD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067091
Brc1cc(Sc2n3CCCCCc3nn2)c(N)cc1	PC-id_65342382	339.254	BXAVJBIOIOIEHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067094
Brc1cnc(c(c1)C)Sc1nnc2n1CCCCC2	PC-id_113367304	339.254	XTXIJHGCVDXOIT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067095
Brc1cncc(c1)CSc1nnc2n1CCCCC2	PC-id_115580543	339.254	YMDWLRHMFREIRA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067096
Brc1c(Sc2n3CCCCCc3nn2)ccc(N)c1	PC-id_61713965	339.254	MIYBJUBQAMFKKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067097
Cc1cc(ncc1Br)Sc1nnc2n1CCCCC2	PC-id_114870842	339.254	HXKRGQIUJRBTOA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067098
Cc1cnc(c(c1)Br)Sc1nnc2n1CCCCC2	PC-id_105368415	339.254	SWGQQOCDSXPOQA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067099
Cc1nc(ccc1Br)Sc1nnc2n1CCCCC2	PC-id_108166291	339.254	AEJVVNYNJMETFC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067100
Clc1c(cncc1Cl)CN1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_320153748,MCULE-5384042893	339.263	WTSPKRMTJUMZEG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067101
CN(Cc1cc(Cl)cc(Cl)c1)Cc1nnc2n1CCCCC2	ZINC22_225492693,EMOLS-id_53767758,PC-id_100653933,MCULE-5885444822	339.263	ZEWIKIHEZKTIET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067102
BrC(c1sc2c(CCCCC2)c1)c1ccc(F)cc1	PC-id_55200457	339.266	KBMTVJQVNANJBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067103
c1(C(=O)O)cc2n(CCCN(C2)C(=O)c2c(F)ccc(F)c2F)n1	EMOLS-id_32380752,PC-id_50954765,MCULE-1128752414,ZINC22_65382938	339.269	PUFVQFZDWOTBTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067104
Clc1ccc(c(c1)CC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_114973873	339.279	KTKZWCICUNYQOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067105
Clc1ccc(c(c1)Cl)CC(=O)c1cc2c(s1)CCCCC2	PC-id_114967181	339.279	YSQDWEWITJRADY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067106
Clc1cc(CC(=O)c2sc3CCCCCc3c2)ccc1Cl	PC-id_63528047	339.279	JZMWBYJXXFGQFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067107
O=C(c1cc2c(s1)CCCCC2)Cc1cccc(c1Cl)Cl	PC-id_107311676	339.279	CCLLHKRYMCZTTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067108
O=C(c1cc2c(s1)CCCCC2)Cc1c(Cl)cccc1Cl	PC-id_114966288	339.279	VDNNNIKGUZVEOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067109
Brc1cc(sc1)Cn1cc2C(NC)CCCCc2c1	PC-id_83207972	339.294	SIXORDYMDYLRGM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-067110
Brc1c(scc1)Cn1cc2C(NC)CCCCc2c1	PC-id_83207879	339.294	ZOJGZSMLXFXXFH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-067111
Brc1sc(Cn2cc3C(NC)CCCCc3c2)cc1	PC-id_83208347	339.294	YQXALYDDYQLCOU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-067112
CCC1c2nnc(o2)NC(=O)NC(=O)NC(=O)CNC(=O)N1CC	PC-id_137084514,SCHEMBL18652877	339.307	AMZNULBJDZRPGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067113
c1(C(=O)Nc2cccc(c2)OC(F)(F)F)c2CCCCCc2[nH]n1	MCULE-1364808542,EMOLS-id_335039927	339.312	YKPMKFFDJKBBCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067114
c1(C(=O)Nc2ccc(cc2)OC(F)(F)F)c2CCCCCc2[nH]n1	MCULE-5669341441,EMOLS-id_335051962	339.312	FKKCIRDIJJVSSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067115
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(ccc1F)OC(F)F	EMOLS-id_319063287	339.312	HRZHVTOVSJXOAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067116
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1)F)OC(F)F	EMOLS-id_319656241	339.312	IUEUSFQULHVHQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067117
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1F)OC(F)F	EMOLS-id_320258234,MCULE-7570480294	339.312	JLCPBUYQPGJFPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067118
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)OC(F)(F)F	EMOLS-id_319895215,MCULE-9670268372	339.312	IMNBLAYOWIXOMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067119
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1O)C(F)(F)F	EMOLS-id_320198058,MCULE-3795217662	339.312	OTTRMKVWFFBMJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067120
Oc1cc(ccc1C(=O)N1CCCc2c(C1)cnn2C)C(F)(F)F	EMOLS-id_101674796	339.312	CPXJOIAAFCCEGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067121
Oc1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)C(F)(F)F	EMOLS-id_101676536	339.312	GGVUHIKKVFUTKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067122
Cc1cc(nc(n1)C(F)(F)F)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101676518	339.316	DMJKLFSNKXEFCC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067123
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)nc(n1)C(F)(F)F	EMOLS-id_319014330	339.316	BGWBMWNRGUNDLE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067124
Cc1nc(nc(c1)C(F)(F)F)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319539365	339.316	XSFXRCAYSAIRBB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067125
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(nc1)C(F)(F)F	EMOLS-id_101945454	339.316	UQZOBUMGNZYLHU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067126
O=C(N1CCCc2c(C1)cnn2C)Nc1nccc(c1)C(F)(F)F	EMOLS-id_101859412	339.316	JLFSQHLQSMNPEP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067127
O=C(N1CCCn2c(C1)cc(n2)N)Nc1cccc(c1)C(F)(F)F	EMOLS-id_319017184	339.316	UDKGCZVSKBQGHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067128
O=C(NCc1nnc2n1CCCCC2)c1ccc(C(F)(F)F)nc1	EMOLS-id_30708430,ZINC22_48324528,MCULE-2123476890,PC-id_47019956	339.316	JFXLCCZLOAIOPM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067129
O=C(NCc1nnc2n1CCCCC2)Nc1ccc(F)c(F)c1F	ZINC22_43233531,EMOLS-id_33306279,MCULE-5888960382,PC-id_51080103	339.316	JCHSJSRKVUNCCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067130
Clc1cc(C)c(cc1C(c1cc2c(s1)CCCCC2)Cl)C	PC-id_115484685	339.322	KKSGHTJGVAPOAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067131
ClC(c1sc2c(CCCCC2)c1)c1c(cc(Cl)c(c1)C)C	PC-id_64211871	339.322	IJPVGOKCKYLIIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067132
FCc1n(CCCCC(N)(C)C(=O)O)c(=O)c2[nH]cnc2c(=O)n1	PC-id_85059844	339.322	MRCSJSCLHQPIQS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-067133
FCc1n(CCCC[C@@](N)(C)C(=O)O)c(=O)c2[nH]cnc2c(=O)n1	PC-id_9884312	339.322	MRCSJSCLHQPIQS-AWEZNQCLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-067134
FC(S(=O)(=O)N=C/C=C/C=C/c1ccc2-c1ccccc2)(F)F	PC-id_101359023	339.332	FQPQYPBQMAECLG-YTGDMVFUSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067135
S(=O)(=O)(/N=C/C=C/C=C/c1c2-c(cc1)ccccc2)C(F)(F)F	PC-id_11046050	339.332	FQPQYPBQMAECLG-MBHSIDFCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067136
S(=O)(=O)(N=CC=CC=Cc1c2-c(cc1)ccccc2)C(F)(F)F	PC-id_85378862	339.332	FQPQYPBQMAECLG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067137
O=CCCn1c(C(=O)OCC)c2c(c1C(=O)OCC)OCCCO2	PC-id_143436687	339.34	XLRGXCIJTALZMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067138
COc1cc(/C=C/c2noc3c2ccccc3=O)cc(c1OC)OC	PC-id_15194454,TIMTEC24042	339.342	DKVBNYGCGSJHIK-CMDGGOBGSA-N	00000000100000110111000000000010000000000000000000000000	31-01-067139
COC(=O)c1cc2=C[C@@H](C)C=C(C=c2[nH]1)Oc1ccc(cc1)C(=O)O	PC-id_142403266	339.342	FGHDENMAPFGGLE-LLVKDONJSA-N	00000000100000110110000000000010000000000000000000000000	31-01-067140
Fc1ccc(nc1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_112090154	339.342	OANAPUMKUHDSAK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067141
o1nc(c2c1c(=O)cccc2)C=Cc1cc(OC)c(OC)c(OC)c1	PC-id_86180287	339.342	DKVBNYGCGSJHIK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-067142
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1ncccc1F	EMOLS-id_112059925	339.342	STBPKUDWWJHRJI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067143
COC(=O)C(NC(=O)C)CC(=O)CC1CCCCc2n1c(=O)on2	SCHEMBL6803082,PC-id_23500518	339.344	HVVPMYUSEJCAIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067144
C1CN(CCC1CN1CCn2cc(nc2OCC1)[N+](=O)[O-])C(=O)O	SCHEMBL14965604,PC-id_89580044	339.347	HZEDRCZYFQJKPJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067145
c12CN(CCCn1nc(C#N)c2)C(=O)c1ccccc1NCC(=O)O	MCULE-5987715848,ZINC22_65492918,PC-id_50978496,EMOLS-id_32425530	339.349	VOHFVENUYBJFJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067146
c1(cnc2ccccn12)C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	ZINC22_65374556,EMOLS-id_32375106,MCULE-4006368799,PC-id_50951808	339.349	AKIIMDDPMGEQKP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067147
CC1Cc2c(CN(C1)C(=O)c1cc3c([nH]1)c(ccc3)[N+](=O)[O-])cn[nH]2	PC-id_136560303,EMOLS-id_316960626,MCULE-4286950896	339.349	UTJSRZGQEVWAJX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067148
C[C@H]1Cc2n[nH]cc2CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1	ZINC22_1651748156	339.349	UTJSRZGQEVWAJX-JTQLQIEISA-N	00000000100000100101000001100010000000000000000000000000	31-01-067149
C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1	ZINC22_1651748157	339.349	UTJSRZGQEVWAJX-SNVBAGLBSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067150
Cn1nc(C(=O)N2Cc3nccn3C[C@@H](C(=O)O)C2)c2ccccc12	ZINC22_2325782505	339.349	AVJMJEKZRGKDKH-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067151
Cn1nc(C(=O)N2Cc3nccn3C[C@H](C(=O)O)C2)c2ccccc12	ZINC22_2325782506	339.349	AVJMJEKZRGKDKH-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-067152
COC(=O)c1cccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)n1	ZINC22_58280320,PC-id_94811640	339.349	NORYZWYQGXNTBW-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067153
COC(=O)c1cccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)n1	ZINC22_58280321,PC-id_94811641	339.349	NORYZWYQGXNTBW-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-067154
N#Cc1cccnc1NCCOC(=O)c1cc2n(c1)CCCNC2=O	ZINC22_2325854098	339.349	OBBHHJMSWNTYFO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067155
N#CC(c1nnc2n1CCCCC2)C(=O)c1cccc(n1)C(=O)OC	EMOLS-id_32132227,PC-id_51099362,MCULE-8227420541	339.349	NORYZWYQGXNTBW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067156
NC(=O)c1cn2CCN(CCc2n1)C(=O)Cc1noc2ccccc12	ZINC22_1875242335,EMOLS-id_331118857	339.349	NPDVNBYFDGLKCC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067157
O=C(c1ccco1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1	ZINC22_96188730,PC-id_97463163	339.349	GQBSZIIOGDSYOS-CYBMUJFWSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067158
O=C(c1ccco1)N1Cc2nccn2C[C@H](Cn2ncccc2=O)C1	ZINC22_96188731,PC-id_97463164	339.349	GQBSZIIOGDSYOS-ZDUSSCGKSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067159
O=C(c1ccco1)N1CCCn2nnc(COc3ccccn3)c2C1	EMOLS-id_46181793,PC-id_97405220,ZINC22_96084393	339.349	UVDXJECHMCSEJS-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-067160
O=C(c1ccco1)N1CCCn2nnc(COc3cccnc3)c2C1	PC-id_97405226,ZINC22_96084399,EMOLS-id_46181807	339.349	SBZDZQOELPRVOT-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-067161
O=C(c1ccoc1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1	PC-id_97463165,ZINC22_96188732	339.349	IIXHHVUTJRLRNB-CYBMUJFWSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067162
O=C(c1ccoc1)N1Cc2nccn2C[C@H](Cn2ncccc2=O)C1	ZINC22_96188733,PC-id_97463166	339.349	IIXHHVUTJRLRNB-ZDUSSCGKSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067163
O=C(N1CC(Cn2ncccc2=O)Cn2ccnc2C1)c1ccco1	PC-id_118739345,EMOLS-id_44326573	339.349	GQBSZIIOGDSYOS-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067164
O=C(N1CC(Cn2ncccc2=O)Cn2ccnc2C1)c1ccoc1	EMOLS-id_44326575	339.349	IIXHHVUTJRLRNB-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067165
O=C(OCc1nc(c2cccnc2)no1)c1n[nH]c2c1CCCCC2	MCULE-3440458947,EMOLS-id_50358455,ZINC22_170608491,PC-id_91652039	339.349	ZAGDAXAUPJDQCI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067166
c12C(CCCCn1nnn2)C(=O)NCc1noc(c2ccccc2)n1	EMOLS-id_68881093,MCULE-5856362272,PC-id_118765993	339.352	PBUVOSAYPZQVNX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067167
c12C(CCCCn1nnn2)C(=O)NCc1onc(c2ccccc2)n1	MCULE-1189147204,PC-id_118768058,EMOLS-id_68885571	339.352	MSCWVHLXYKQIFG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067168
c12C(=O)N(C)CCn1nc(C(=O)N1CCCn3nc(C#N)cc3C1)c2	EMOLS-id_324116331,PC-id_146042073,ZINC22_1857680688,MCULE-6372730798	339.352	SGIFTFOUIRXSTB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-067169
O=C(C1CCn2c(CC1)nnn2)NCc1ccc(cc1)c1ocnn1	EMOLS-id_316897274,MCULE-2894839488	339.352	XIBBFZAITBWPIW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067170
O=C(c1cnc[nH]1)N1CCc2n(CC1)c(nn2)COc1ccccn1	PC-id_97519291	339.352	MZOSJNTXWQMCSV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067171
O=C(NCc1ccc(c2nnco2)cc1)[C@@H]1CCc2nnnn2CC1	ZINC22_1448968326	339.352	XIBBFZAITBWPIW-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067172
O=C(NCc1ccc(c2nnco2)cc1)[C@H]1CCc2nnnn2CC1	ZINC22_1448968330	339.352	XIBBFZAITBWPIW-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067173
O=C(NCc1nc(c2ccccc2)no1)[C@@H]1CCCCn2nnnc12	ZINC22_299757105	339.352	MSCWVHLXYKQIFG-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067174
O=C(NCc1nc(c2ccccc2)no1)[C@H]1CCCCn2nnnc12	ZINC22_299757107	339.352	MSCWVHLXYKQIFG-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067175
O=C(NCc1noc(c2ccccc2)n1)[C@@H]1CCCCn2nnnc12	ZINC22_299758372	339.352	PBUVOSAYPZQVNX-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067176
O=C(NCc1noc(c2ccccc2)n1)[C@H]1CCCCn2nnnc12	ZINC22_299758374	339.352	PBUVOSAYPZQVNX-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067177
c12C(CCCCn1nnn2)C(=O)NCc1cccnc1n1cncn1	EMOLS-id_68916950,MCULE-8660327585,PC-id_118783344	339.355	PIIMPOUCTVXMNC-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067178
CC1CN(CC(c2ccccc2C(F)(F)F)O)Cc2c(C1)[nH]nc2	EMOLS-id_319634035	339.355	ZFBJEPAOJKIPRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067179
O=C(NCc1cccnc1n1cncn1)[C@@H]1CCCCn2nnnc12	ZINC22_299778091	339.355	PIIMPOUCTVXMNC-GFCCVEGCSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067180
O=C(NCc1cccnc1n1cncn1)[C@H]1CCCCn2nnnc12	ZINC22_299778107	339.355	PIIMPOUCTVXMNC-LBPRGKRZSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067181
CC(c1ccc(cc1)C(F)(F)F)CNC1CCn2c(CC1)nnn2	MCULE-4515689070,EMOLS-id_318127206	339.359	IERNWUXXVHYUAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067182
CC(Cc1ccc(cc1)C(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_318189800,MCULE-6247198809	339.359	CEZCKWPOJHEFTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067183
CC(Cc1ccccc1C(F)(F)F)NC1CCn2c(CC1)nnn2	MCULE-4811385450,EMOLS-id_318215966	339.359	RAQBSRUHBOIEQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067184
CC(Cc1cccc(c1)C(F)(F)F)NC1CCn2c(CC1)nnn2	MCULE-8022533132,EMOLS-id_318061120	339.359	MPCFLKFSBBCORI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067185
FC(Oc1ccc(nc1)C(=O)N1CCCCc2c1sc(n2)C)F	MCULE-8713789577,EMOLS-id_320010356	339.36	BOTCBVBKZNIXIP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067186
FC(Oc1nccc(c1)C(=O)N1CCCCc2c1sc(n2)C)F	EMOLS-id_320010938,MCULE-5418805176	339.36	MPSVIPZJBOVLPR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067187
Cc1cc(C(=O)N2CCCc3occc3C2)nn1c1ccc(F)cc1	EMOLS-id_177226502,MCULE-7978323234,ZINC22_367369253	339.364	AZVGTXZJVSMYSQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067188
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(o1)c1ccccc1F	EMOLS-id_320062486,MCULE-4434076149	339.364	CFUVISKWITYIMC-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-067189
FC(=C)/C=CC1CCc2c(C(=O)C1)c(c[nH]2)C(=O)Nc1ccccn1	PC-id_142202614	339.364	NNXLUVLHIYNCAH-WAYWQWQTSA-N	00000000100000101100000000000010000000000000000000000000	31-01-067190
CCOP(OCC)COCCn1ccc2c1C(=CC(=CC2)O)C	PC-id_142984484	339.366	JOWVBKGUGMRFPT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-067191
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn(n1)c1ccc(cc1)F	EMOLS-id_319166651	339.367	SSTIRNFYYBXEAZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067192
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn(n1)c1ccccc1F	EMOLS-id_320181474,MCULE-2512778632	339.367	BPMILIJTXDBGIE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067193
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(F)cccc1n1cccn1	EMOLS-id_319227276	339.367	IDZYIPREKGXASK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067194
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c[nH]nc1c1ccc(cc1)F	EMOLS-id_319706117	339.367	LOMQCYMBFQJKLU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067195
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c[nH]nc1c1ccccc1F	EMOLS-id_319735383	339.367	GMLPHDWCHLVQCS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067196
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1)c1ccc(cc1)F	EMOLS-id_319513552	339.367	DQOYXLMMKNMIPJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067197
N#CC(=C/C=C(/c1ccc2-c1ccccc2)C=CN1CCCCC1)C#N	PC-id_102344627	339.433	SPYVWMLVUFBLLV-JYYKFOSMSA-N	00000010100010000110000000000010000000000000000000000000	31-01-067605
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1n[nH]c(c1)c1ccc(cc1)F	EMOLS-id_319735993	339.367	LYQIFOPSVNFQAZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067198
Fc1cccc(c1)C(=O)N1CCc2ncc(Cn3cccn3)n2CC1	PC-id_97467098,ZINC22_96196954,EMOLS-id_44328839	339.367	GZBYKJOQWADAMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067199
O=c1ccc(c2ccc(F)cc2)nn1Cc1nnc2n1CCCCC2	MCULE-5487403388,EMOLS-id_99182155,ZINC22_329341429	339.367	OZCJSJGMQGKEQH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067200
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1c(C)noc1C	EMOLS-id_112072153	339.367	WOFLQRVFTKSSFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067201
OC(=O)Cn1nnc(c1)COCC1(C)COc2c(OC1)csc2	PC-id_102481109	339.367	VSNLFZVMFNETNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067202
c1(csc2CCCCCc12)C(=O)Nc1cccc(c1)C(F)(F)F	MCULE-6416048572,ChEMBL-DNDi_CHEMBLC760-0880,CoCoCo_2171505,PC-id_20881825,EMOLS-id_16062733	339.375	YXPNAVHQKCORFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067203
Nc1sc2c(c1C(=O)c1cccc(c1)C(F)(F)F)CCCCC2	SCHEMBL4154525,PC-id_11660115	339.375	ADXPWQBJKRDAQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067204
s1c2CCCCCc2cc1C(=O)Nc1ccc(cc1)C(F)(F)F	PC-id_7962216	339.375	ZIQKRBPVVZFFJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067205
CC(c1nnc2n1CC[N@@H+](CC2)Cc1cccc(c1)C(F)(F)F)C	GD-id_ZINC23153686	339.379	HYLCKMWHFMRFCA-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-067206
COc1ccc(c(c1F)C)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99300565	339.382	VNELVLHAXSSXCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067207
CCCCC(CC1COc2c(OC1)c([nH]c2C(=O)O)C(=O)O)CC	PC-id_11035175,SCHEMBL182422	339.383	WUZWXXWSVLMMCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067208
CCCCC(CC1COOc2c(C1)c([nH]c2C(=O)O)C(=O)O)CC	PC-id_22672964,SCHEMBL182421	339.383	VHMWIZXXHZSGMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067209
CCCCCCCCC1COc2c(OC1)c([nH]c2C(=O)O)C(=O)O	PC-id_11089076,SCHEMBL182802	339.383	VJJCEJBRRJYNPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067210
CCCCCCCCC1COOc2c(C1)c([nH]c2C(=O)O)C(=O)O	SCHEMBL182801,PC-id_22672948	339.383	JXQYFXUVIAHMCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067211
O1CC(COc2c1c(n(c2C(=O)OCC)CC)C(=O)OCC)(C)C	PC-id_20726176	339.383	IJLUQRHUHPCFPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067212
FC1(F)CC(C1)C(=O)N1CCCn2nnc(CN3CCCC3)c2C1	ZINC22_1565554600,EMOLS-id_313730011	339.384	CFXZFQYYHIXREY-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-067213
CCOC(=O)c1cc2c(n1Cc1ccccc1)C(=O)/C(=C/O)/CCC2	PC-id_122705235,SCHEMBL18250056	339.385	MCFJGWDZUVJZPE-DTQAZKPQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067214
CCOC(=O)c1cc2c(n1Cc1ccccc1)C(=O)C(=CO)CCC2	PC-id_145189628	339.385	MCFJGWDZUVJZPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067215
COc1ccc(cc1F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948343	339.385	KCFOSDQYQMMCRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067216
COc1ccc(cc1F)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319508260	339.385	LHLHXUVYOUPCGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067217
COc1ccc(cc1S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)F	EMOLS-id_318936441	339.385	GSGHARGUBAWGLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067218
COc1ccc(CS(=O)(=O)c2nnc3n2CCCCC3)cc1F	ZINC22_125297322,PC-id_146132072	339.385	BFGFBCTZKRZGIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067219
COc1cc(F)ccc1S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-6474949443,EMOLS-id_320243161	339.385	QUAHKVXRJVEVOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067220
COc1c(F)cccc1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_320267043,MCULE-1311540582	339.385	BIVAYSKPNJNKIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067221
COc1c(F)cccc1S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319364700	339.385	ZWFMANXXVKUABL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067222
COc1nn(C)c2c1CCCN(S(=O)(=O)c1ccccc1F)C2	ZINC22_96254491,PC-id_97515541,EMOLS-id_44366666	339.385	OJHBOALDMVFSTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067223
COc1nn(C)c2c1CCCN(S(=O)(=O)c1cccc(F)c1)C2	PC-id_97515542,EMOLS-id_44366668,ZINC22_96254492	339.385	TWHLLOROWNPSHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067224
COCC1CCn2nccc2CN1S(=O)(=O)c1ccccc1F	EMOLS-id_313819429	339.385	UERJUWDIAQQCOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067225
COCC1CN(Cc2cncn2C1)S(=O)(=O)c1ccccc1F	EMOLS-id_49229753	339.385	XZJDSSKPXOYQBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067226
COCC1CN(Cc2cncn2C1)S(=O)(=O)c1ccc(F)cc1	EMOLS-id_49231205	339.385	ZBEBNMXGPAFQHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067227
COCC1CN(Cc2nccn2C1)S(=O)(=O)c1cccc(F)c1	EMOLS-id_44325805,PC-id_118740805	339.385	YIPQMVVCDQGAAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067228
COCC1CN(Cc2nccn2C1)S(=O)(=O)c1ccc(F)cc1	EMOLS-id_44325793	339.385	XJWBWWWEWWILQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067229
COC[C@H]1CCn2nccc2CN1S(=O)(=O)c1ccccc1F	ZINC22_585098102	339.385	UERJUWDIAQQCOI-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067230
COC[C@@H]1CCn2nccc2CN1S(=O)(=O)c1ccccc1F	ZINC22_585098103	339.385	UERJUWDIAQQCOI-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067231
COC[C@@H]1CN(S(=O)(=O)c2ccccc2F)Cc2cncn2C1	PC-id_97475310,ZINC22_96207183	339.385	XZJDSSKPXOYQBX-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067232
COC[C@H]1CN(S(=O)(=O)c2ccccc2F)Cc2cncn2C1	ZINC22_96207182,PC-id_97475309	339.385	XZJDSSKPXOYQBX-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067233
COC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2)Cc2nccn2C1	PC-id_97462228,ZINC22_96187773	339.385	YIPQMVVCDQGAAW-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067234
COC[C@H]1CN(S(=O)(=O)c2cccc(F)c2)Cc2nccn2C1	ZINC22_96187772,PC-id_97462227	339.385	YIPQMVVCDQGAAW-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067235
COC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)Cc2cncn2C1	PC-id_97476258,ZINC22_96208131	339.385	ZBEBNMXGPAFQHA-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067236
COC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)Cc2cncn2C1	ZINC22_96208132,PC-id_97476259	339.385	ZBEBNMXGPAFQHA-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067237
COC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)Cc2nccn2C1	ZINC22_96187760,PC-id_97462215	339.385	XJWBWWWEWWILQS-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067238
COC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)Cc2nccn2C1	ZINC22_96187761,PC-id_97462216	339.385	XJWBWWWEWWILQS-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067239
Fc1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)c(=O)n(n2C)C	PC-id_97411837	339.385	IEDMJSRVMWQMET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067240
c1ccc2-c(c(cc2)C(=O)Nc2ccc(cc2)Oc2ccccc2)cc1	PC-id_91230086	339.387	OKUYYNVEEAZRMP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-067241
CCC(c1nnc2n1CCCCC2)NCc1ncnn1CC(F)F	MCULE-4675055427,EMOLS-id_316924634	339.387	YGQBURNIASTWSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067242
CC[C@@H](NCc1ncnn1CC(F)F)c1nnc2n1CCCCC2	ZINC22_1615550830	339.387	YGQBURNIASTWSC-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067243
CC[C@H](NCc1ncnn1CC(F)F)c1nnc2n1CCCCC2	ZINC22_1615550832	339.387	YGQBURNIASTWSC-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-067244
COC(=O)CCCn1nnc2c1C(CCCCC2)OCC(=O)OC	PC-id_101953245	339.387	DUKCULDGSCMEAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067245
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1ccc2c(cc(o2)C)c1	PC-id_91774221,MCULE-1174161882,EMOLS-id_55643010	339.388	SMAYRZAAZHLHEO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067246
c1(C(=O)c2ccc(c(OC)c2)OC)c(N)c(c2CCCCCn12)C#N	PC-id_16762594,ZINC22_12371216,TIMTEC560892,MCULE-1472749292,EMOLS-id_15321746	339.388	XXNNCWNLZSLSPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067247
c1(C(=O)O)cc2n(CCCN(Cc3ccc(cc3)C#CCCO)C2)n1	EMOLS-id_32435170,MCULE-7794830235,PC-id_50983633,ZINC22_65528417	339.388	CVSKYEFDFALMQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067248
c1(C(=O)OC)cc2n(CCCN(C(=O)CC=Cc3ccccc3)C2)n1	MCULE-6914090939,PC-id_72072436	339.388	MAKMPZLCEYCMAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067249
Cc1cc(cc(c1F)C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026746	339.388	KKHPRZZPUHZQTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067250
Cc1oc2c(c1)cc(cc2)C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99974195	339.388	SMAYRZAAZHLHEO-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067251
Cc1oc2c(c1)cc(cc2)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99974196	339.388	SMAYRZAAZHLHEO-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067252
CCOc1ccc(c2noc(CN3CCCc4occc4C3)n2)cc1	MCULE-5435397333,ZINC22_585083945,EMOLS-id_177246753	339.388	SKWADGLNHWBCOV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067253
COc1ccc2c(c1)c(C)c(o2)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319593372	339.388	DTMADTOJWNFDJX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067254
COc1ccc2c(c1)c(c(o2)C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319691584	339.388	DQMZWCNTPBDBDJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067255
COc1cc(c2noc(CN3CCCc4occc4C3)n2)ccc1C	EMOLS-id_177244136,MCULE-4056859633,ZINC22_585083951	339.388	VNUDUNTVFPIDTP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067256
COCC1CCn2nccc2CN1C(=O)c1oc2ccccc2c1C	EMOLS-id_313819428	339.388	IUDKCLILIRLDPT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067257
COCC1CN(Cc2cncn2C1)C(=O)c1oc2ccccc2c1C	EMOLS-id_49227799	339.388	PKPFTGZBGUGOSX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067258
COCc1c(oc2c1cccc2)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319117178	339.388	GGEBCMPCLLTJDN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067259
COC[C@@H]1CCn2nccc2CN1C(=O)c1oc2ccccc2c1C	ZINC22_585097209	339.388	IUDKCLILIRLDPT-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067260
COC[C@H]1CCn2nccc2CN1C(=O)c1oc2ccccc2c1C	ZINC22_585097212	339.388	IUDKCLILIRLDPT-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067261
COC[C@@H]1CN(C(=O)c2oc3ccccc3c2C)Cc2cncn2C1	PC-id_97474110,ZINC22_96205937	339.388	PKPFTGZBGUGOSX-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067262
COC[C@H]1CN(C(=O)c2oc3ccccc3c2C)Cc2cncn2C1	ZINC22_96205938,PC-id_97474111	339.388	PKPFTGZBGUGOSX-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067263
COC(=O)c1cc2CN(CCCn2n1)C(=O)C/C=C/c1ccccc1	ZINC22_65490660,PC-id_50977815,EMOLS-id_44854605	339.388	MAKMPZLCEYCMAL-WEVVVXLNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067264
COC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(cc1)C	SCHEMBL19702776	339.388	NYUMHKSIKJIXJB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-067265
o1c2c(cc(CN3CCCn4nc(cc4C3)CCC(=O)O)cc2)cc1	PC-id_56885813	339.388	RFVFRMQJIYCBAN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067266
O=C1CCC(N1)c1ccccc1NC(=O)c1noc2c1CCCCC2	EMOLS-id_279018197	339.388	NLMJELFPWHEOQU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-067267
O=C1CCC(N1)c1cccc(c1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_101860535	339.388	IOTUJQJSTVWWRQ-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-067268
O=C1CCC(N1)c1ccccc1NC(=O)N1CCCc2c(C1)cco2	MCULE-7545903393,EMOLS-id_257968630	339.388	BSRFNOFXQNDGSZ-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-067269
O=C1CN(CN1Cc1ccccc1)C(=O)c1noc2c1CCCCC2	EMOLS-id_101005945	339.388	VPWRTSNGLNGPGJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067270
O=C1NCC(C1)c1cccc(c1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100986337	339.388	AHMOJPQTJDVANA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-067271
O=C(C1CC1)c1ccc(OC(=O)N2CCCc3[nH]cnc3CC2)cc1	PC-id_20803079	339.388	PYSVWGCJVCVCQU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067272
O=C(C1CC1)Nc1ccc(cc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100948293	339.388	UREQDCMCRRDRRW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067273
O=C(c1cccc(N2CCCNC2=O)c1)N1CCCc2occc2C1	EMOLS-id_177219981,ZINC22_290728713,MCULE-1941494062	339.388	SGHUYJSGXYYAJA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067274
O=C(c1noc2c1CCCCC2)N1CCN(C(=O)C1)c1ccccc1	EMOLS-id_101008192	339.388	QAFVDUFKMMMAEO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067275
O=C(c1noc2c1CCCCC2)N1CCNC(=O)C1c1ccccc1	EMOLS-id_111406393	339.388	FXSOGUOFJIQLHW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067276
O=C(c1noc2c1CCCCC2)Nc1ccc2c(c1)CCN2C(=O)C	EMOLS-id_100934442	339.388	CMMPXYLXHXXPCU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067277
O=C(c1noc2c1CCCCC2)Nc1ccc(cc1)N1CCCC1=O	EMOLS-id_100938060	339.388	JRAQTJYSXVSSBY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-067278
O=C(c1noc2c1CCCCC2)NC1CN(C(=O)C1)c1ccccc1	EMOLS-id_100124484	339.388	AGXIHMOHVAFHAL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-067279
O=C(N1CCc2c(CC1)nc[nH]2)OCc1ccc(cc1)C(=O)C1CC1	PC-id_142022581	339.388	RTPSRTTZUDURLS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067280
c12CN(CCCn1nc(CNC(=O)OCCOC)c2)C(=O)N(C)C	MCULE-7235785089,ZINC22_82137336,PC-id_70766318,EMOLS-id_44444999	339.39	IVICDJMCWITOHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067281
c12c(C)noc1nc(C)cc2C(=O)NCc1c2CCCCCc2[nH]n1	EMOLS-id_222787040,MCULE-7288626272,ZINC22_670468408	339.392	ARJMPIMMWGTPJV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067282
c12CN(CCCn1nc(C#N)c2)C(=O)NCCc1ccccc1OC	ZINC22_426411572,PC-id_119061255,EMOLS-id_82707061,MCULE-1067660150	339.392	VKMJMZCGZCEZMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067283
c12CN(CCCn1nc(CO)c2)C(=O)Cc1ccc2c(c1)nc([nH]2)C	MCULE-4144833697,PC-id_91781155,EMOLS-id_55663197	339.392	XAGIGWKNMRBZSB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067284
c1(ccc2n(ccn2)c1)C(=O)N1CCCn2c(cc(n2)C(CC)O)C1	MCULE-3782607987,PC-id_90649877,EMOLS-id_50535175	339.392	WLOMFFLSUNBRMG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067285
c1(CN2CCCn3c(cc(n3)C(=O)OC)C2)n(C)c2c(cccc2)n1	PC-id_56703073,EMOLS-id_36425358,MCULE-2886155448,ZINC22_67541100	339.392	NKMQUUASXLMGTE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067286
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3noc(C)n3)C2)n1	EMOLS-id_55675891,PC-id_91785567,MCULE-7040299391	339.392	FJTDTZMUHKEIHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067287
c1(C(=O)N2CCCn3nc(CO)cc3C2)c2cc(C)ccc2n(C)n1	PC-id_91776255,MCULE-2926460555	339.392	KHOJFFKPYNAOPG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067288
c1(C(=O)Nc2ccc3c(c2)nc([nH]3)COC)c2CCCCCc2[nH]n1	EMOLS-id_323255737,MCULE-3567581046	339.392	KKFASMXVROXHHZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067289
c1(NCc2c3CCCCCc3[nH]n2)n(C)c2c(cc(cc2)C(=O)O)n1	EMOLS-id_316223337,MCULE-7911891296,ZINC22_1506430269	339.392	AHCOUGHWZOLWDW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067290
C1(=O)NCCN1c1ccc(cc1)CC(=O)N1CCCn2cncc2C1	PC-id_56884355,EMOLS-id_43066411,ZINC22_72127366,MCULE-4631580263	339.392	HVEWNMRNKGDWOO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-067291
CC1Cc2nnc(COc3cccnc3)n2CCN1Cc1ccoc1	EMOLS-id_313741755	339.392	CAIUMZJBRRJZHO-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-067292
Cc1ccc2c(c1)[nH]cc2C(=O)N(Cc1nnc2n1CCOCC2)C	EMOLS-id_318966741	339.392	PKYDEDMZTJABNI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067293
Cc1cccc2[nH]c(COCC(=O)N3CCCn4cncc4C3)nc12	ZINC22_72121770,MCULE-2768996844,EMOLS-id_43057370,PC-id_56882114	339.392	VNIMYWHBFQKCTA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067294
Cc1ccc(CN2Cc3ccnn3CCC2COc2ncccn2)o1	EMOLS-id_313744821	339.392	UTQLHHZPLCCFHP-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067295
Cc1ccc(CN2Cc3ccnn3CC[C@H]2COc2ncccn2)o1	ZINC22_585098140	339.392	UTQLHHZPLCCFHP-INIZCTEOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067296
Cc1ccc(CN2Cc3ccnn3CC[C@@H]2COc2ncccn2)o1	ZINC22_585098141	339.392	UTQLHHZPLCCFHP-MRXNPFEDSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067297
Cc1ccc(CN2CCc3nnc(COc4ccccn4)n3CC2)o1	PC-id_97381534,EMOLS-id_46148051,ZINC22_96058877	339.392	SSMVDRCQBVTMLY-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-067298
Cc1cc(CN2Cc3ccnn3CCC2COc2cccnc2)no1	EMOLS-id_313744566	339.392	UYNNAMSKWCMRIM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067299
Cc1cc(CN2Cc3ccnn3CC[C@H]2COc2cccnc2)no1	ZINC22_585098148	339.392	UYNNAMSKWCMRIM-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067300
Cc1cc(CN2Cc3ccnn3CC[C@@H]2COc2cccnc2)no1	ZINC22_585098149	339.392	UYNNAMSKWCMRIM-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067301
Cc1cc(CN2Cc3ccnn3C[C@H](OCc3ccccn3)C2)no1	ZINC22_306133671	339.392	MSLNUSJSUQQJIU-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067302
Cc1cc(CN2Cc3ccnn3C[C@@H](OCc3ccccn3)C2)no1	ZINC22_306133672	339.392	MSLNUSJSUQQJIU-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067303
Cc1cc(CN2Cc3cncn3C[C@H](COc3ccccn3)C2)no1	PC-id_97477311,ZINC22_96209184	339.392	CNAOMSRVOWPAOK-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067304
Cc1cc(CN2Cc3cncn3C[C@@H](COc3ccccn3)C2)no1	ZINC22_96209185,PC-id_97477312	339.392	CNAOMSRVOWPAOK-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067305
Cc1cc(CN2Cc3cncn3C[C@H](COc3cccnc3)C2)no1	PC-id_97475679,ZINC22_96207552	339.392	ROPDOYOAKOZDTB-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067306
Cc1cc(CN2Cc3cncn3C[C@@H](COc3cccnc3)C2)no1	ZINC22_96207553,PC-id_97475680	339.392	ROPDOYOAKOZDTB-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067307
Cc1cc(CN2CC(COc3ccccn3)Cn3cncc3C2)no1	EMOLS-id_49232887	339.392	CNAOMSRVOWPAOK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067308
Cc1cc(CN2CC(COc3cccnc3)Cn3cncc3C2)no1	EMOLS-id_49230325	339.392	ROPDOYOAKOZDTB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067309
Cc1cc(C(=O)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)c(C)o1	PC-id_97463009,ZINC22_96188575	339.392	GXKWARYXVZYESC-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-067310
Cc1cc(C(=O)N2Cc3nccn3C[C@H](Cn3cccn3)C2)c(C)o1	ZINC22_96188574,PC-id_97463008	339.392	GXKWARYXVZYESC-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-067311
Cc1cc(C(=O)N2CC(Cn3cccn3)Cn3ccnc3C2)c(C)o1	EMOLS-id_44326417	339.392	GXKWARYXVZYESC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-067312
Cc1ccnc(OCC2CN(Cc3ccoc3)Cc3cncn3C2)n1	EMOLS-id_49238373	339.392	WHUORZLVAQMFSC-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067313
Cc1ccnc(OC[C@H]2CN(Cc3ccoc3)Cc3cncn3C2)n1	PC-id_97486782,ZINC22_96219903	339.392	WHUORZLVAQMFSC-INIZCTEOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067314
Cc1ccnc(OC[C@@H]2CN(Cc3ccoc3)Cc3cncn3C2)n1	ZINC22_96219905,PC-id_97486783	339.392	WHUORZLVAQMFSC-MRXNPFEDSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067315
Cc1ccnc(O[C@H]2CN(Cc3ccc(C)o3)Cc3ccnn3C2)n1	ZINC22_306133843	339.392	MXRRHQFFDABNMC-KRWDZBQOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067316
Cc1ccnc(O[C@@H]2CN(Cc3ccc(C)o3)Cc3ccnn3C2)n1	ZINC22_306133844	339.392	MXRRHQFFDABNMC-QGZVFWFLSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067317
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)N1CCNC1=O	EMOLS-id_319069807	339.392	PYXBIQFSFVAPNP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-067318
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)N1CCNC1=O	EMOLS-id_319177737	339.392	UOZDLOXKGRLRCT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-067319
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(nc1c1ccc(o1)C)C	EMOLS-id_318825317	339.392	HGOUNIJBILRDPD-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-067320
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1c(=O)n(c2c1cccc2)C	EMOLS-id_319258692	339.392	KBMFEQAKBOZYOT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067321
Cc1cnc(OCC2CCn3nccc3CN2Cc2ccco2)nc1	EMOLS-id_313820449	339.392	HKRMZDWCZOJJHH-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067322
Cc1cnc(OC[C@@H]2CCn3nccc3CN2Cc2ccco2)nc1	ZINC22_585097089	339.392	HKRMZDWCZOJJHH-INIZCTEOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067323
Cc1cnc(OC[C@H]2CCn3nccc3CN2Cc2ccco2)nc1	ZINC22_585097092	339.392	HKRMZDWCZOJJHH-MRXNPFEDSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067324
Cc1nc2n(C)nc(c2cc1NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_319264888	339.392	HXYQZAVFKPUKLK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067325
Cc1onc(n1)CN1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_99982475	339.392	FJTDTZMUHKEIHN-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067326
Cc1onc(n1)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_99982480	339.392	FJTDTZMUHKEIHN-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067327
CC(c1nc2c(o1)ccc(c2)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319259859	339.392	QEWPXSFSOHUUDB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067328
CCc1oc2c(n1)cc(cc2)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101963475	339.392	QWEXSKSSMWKEJQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067329
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3nccn3c1)C2	ZINC22_219985045,PC-id_100050534	339.392	WLOMFFLSUNBRMG-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067330
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3nccn3c1)C2	ZINC22_219985093,PC-id_100050536	339.392	WLOMFFLSUNBRMG-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067331
CC(C)Oc1cncc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1	PC-id_97159244,ZINC22_93245314	339.392	JGUROMRNTJYTFQ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067332
CC(C)Oc1cncc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c1	ZINC22_93245315,PC-id_97159245	339.392	JGUROMRNTJYTFQ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067333
C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1Cc1ccoc1	ZINC22_585096897	339.392	CAIUMZJBRRJZHO-AWEZNQCLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-067334
C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1Cc1ccoc1	ZINC22_585096900	339.392	CAIUMZJBRRJZHO-CQSZACIVSA-N	00000000101000101101000000000010000000000000000000000000	31-01-067335
C[C@H](Oc1ccccc1C#N)C(=O)NCc1nnc2n1CCCCC2	PC-id_95130142,ZINC22_65415571	339.392	QAGMBTLYWRJXDU-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067336
C[C@@H](Oc1ccccc1C#N)C(=O)NCc1nnc2n1CCCCC2	ZINC22_65415572,PC-id_95130143	339.392	QAGMBTLYWRJXDU-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067337
CCn1c(=O)[nH]c2c1cc(cc2)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-5612416078,EMOLS-id_320182420	339.392	YTPADQYBPROONN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067338
CCn1c(=O)[nH]c2c1ccc(c2)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-7696801423,EMOLS-id_320064042	339.392	NWLABDRIDGBCLS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067339
Cn1c(=O)n2CCC(CCc2n1)N(C)C(=O)c1cc2c(cc1)cc[nH]2	PC-id_91922704	339.392	WYYIPZWFXQJODM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067340
Cn1c(=O)n(CCC(=O)N2CCCc3n[nH]cc3C2)c2ccccc12	PC-id_145910154,MCULE-1754584903,EMOLS-id_320353187,ZINC22_663195514	339.392	ARXABYNWZIWDAX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067341
Cn1nc2CCN(CCn2c1=O)C(=O)CCc1c[nH]c2ccccc12	MCULE-9694434036,EMOLS-id_50585871,PC-id_91922391	339.392	ATPIYRGBGGSRLP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067342
CN(Cc1coc(c2ccccc2)n1)Cc1nnc2n1CCOCC2	ZINC22_1615554049,MCULE-5508001687,EMOLS-id_320324043	339.392	VZUBRXSGTNCYMO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067343
CN(C)CC(=O)N1Cc2cccn2C[C@H](Oc2ccc(C#N)cn2)C1	ZINC22_247984134	339.392	KENCVHNEWMHZJC-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067344
CN(C)CC(=O)N1Cc2cccn2C[C@@H](Oc2ccc(C#N)cn2)C1	ZINC22_247984138	339.392	KENCVHNEWMHZJC-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067345
CN(C)CC(=O)N1CC(Cn2cccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50010342	339.392	KENCVHNEWMHZJC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067346
COc1cc(C)c2cc(C(=O)N[C@@H]3CNCc4ccnn4C3)[nH]c2c1	ZINC22_2325788005	339.392	HLPWMPBWWOQQOL-GFCCVEGCSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067347
COc1cc(C)c2cc(C(=O)N[C@H]3CNCc4ccnn4C3)[nH]c2c1	ZINC22_2325788006	339.392	HLPWMPBWWOQQOL-LBPRGKRZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067348
COc1ccc(cc1)c1nnc(o1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320009423,MCULE-2944410802	339.392	ZNCVUKMGDQUHOS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067349
COc1ccccc1c1nnc(o1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320157367,MCULE-7231539219	339.392	BHRLBCZICXHITG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067350
COc1ccc(cc1)c1noc(n1)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319086281	339.392	FIELACIHEOKZCZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067351
COC1=CCN=c2c(=C1)n(Cc1ncnc(c1C)N(C)C)cc2C=O	SCHEMBL19265052	339.392	HSVUVVFGCSQNDM-UHFFFAOYSA-N	00000000100000100111000000000010000000000000000000000000	31-01-067352
COCc1nnc2n1CCC(CC2)NC(=O)c1cc2c(cc1)cc[nH]2	MCULE-9815338158,PC-id_91910765,EMOLS-id_50590327	339.392	ACSMTSWIUSIFNI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067353
COC[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cncn2C1	ZINC22_96208954,PC-id_97477081	339.392	PMGFUEAOXMUPOB-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067354
COC[C@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cncn2C1	ZINC22_96208955,PC-id_97477082	339.392	PMGFUEAOXMUPOB-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067355
n12CCC(CCc1n[nH]c2=O)NC(=O)CCc1c2ccccc2[nH]c1	EMOLS-id_50586153,PC-id_91922647,MCULE-3614324571	339.392	KBHINCFVLZDFRV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067356
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)C1CCC(=O)N1	MCULE-3680933096,EMOLS-id_337782662	339.392	GWQAPKRQDFYRDJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067357
n1c(CNC(=O)c2ccc(Cn3cccn3)o2)c2c(CCCCC2)[nH]1	MCULE-7337343108,ZINC22_670461865,EMOLS-id_222781642	339.392	GAOFBLWASFZITB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-067358
Nc1nn2c(c1)CN(CCC2)C(=O)NC(c1cc2c(o1)cccc2)C	EMOLS-id_318929272	339.392	CFNXABDXZZEIQQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067359
Nc1nn2c(c1)CN(CCC2)C(=O)NCCc1cc2c(o1)cccc2	MCULE-7158331892,EMOLS-id_320111209	339.392	QQUZFKTXAOIOQH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067360
Nc1nn2c(c1)CN(CCC2)C(=O)N[C@H](c1cc2c(o1)cccc2)C	EMOLS-id_319724413	339.392	CFNXABDXZZEIQQ-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067361
N#Cc1cc(ccc1OC(C)C)NC(=O)C1CCn2c(CC1)nnc2	MCULE-3876111252,EMOLS-id_320223980	339.392	DZHBFDBZEFIYMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067362
N#Cc1ccccc1OC(C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_35699440,MCULE-6238435040,PC-id_53502971	339.392	QAGMBTLYWRJXDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067363
N#CC(c1nnc2n1CCCCC2)C(=O)c1cncc(c1)OC(C)C	MCULE-8243718127,PC-id_75397921,EMOLS-id_48310014	339.392	JGUROMRNTJYTFQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067364
N#CC(c1nnc2n1CCCCC2)C(=O)c1noc2c1CCCCC2	EMOLS-id_101029390	339.392	UIGPOZBDPCVHBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067365
N#CCCCOc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319587244	339.392	YUVNHCBEVSILGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067366
O=C1c2ncn(CCCc3c(ccc(c3)C(=O)NC)C)c2NC=NC1	PC-id_10497293	339.392	FZPQMHJYFSJGTI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-067367
Oc1ccc2c(c1)[nH]c(c2)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318816309	339.392	NFDWTTGMTVNMTJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067368
O=C1CC[C@@H](C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)N1	ZINC22_2356166639	339.392	GWQAPKRQDFYRDJ-AWEZNQCLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067369
O=C1CC[C@H](C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)N1	ZINC22_2356166640	339.392	GWQAPKRQDFYRDJ-CQSZACIVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067370
O=C1CCCN1C[C@@H]1CN(C(=O)c2cccnc2)Cc2nccn2C1	PC-id_97462884,ZINC22_96188446	339.392	UNLSOPXVAYSKAR-CQSZACIVSA-N	00000010100000101101000000000010000000000000000000000000	31-01-067371
O=C1CCCN1C[C@H]1CN(C(=O)c2cccnc2)Cc2nccn2C1	ZINC22_96188447,PC-id_97462885	339.392	UNLSOPXVAYSKAR-AWEZNQCLSA-N	00000010100000101101000000000010000000000000000000000000	31-01-067372
O=C1[C@H](C(=O)N2CCCn3nncc3C2)CCN1Cc1ccccc1	ZINC22_829601242	339.392	FHRWMPYFUGLJHB-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067373
O=C1[C@@H](C(=O)N2CCCn3nncc3C2)CCN1Cc1ccccc1	ZINC22_829601243	339.392	FHRWMPYFUGLJHB-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067374
O=C1N(CCC1C(=O)N1CCCn2c(C1)cnn2)Cc1ccccc1	MCULE-8435328469,EMOLS-id_316971955	339.392	FHRWMPYFUGLJHB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067375
O=C(C1CCc2n(CC1)cnn2)NCC(c1nc2c(o1)cccc2)C	EMOLS-id_319738491	339.392	WNTMQDLJPGZDSS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067376
O=C(C1CCn2c(CC1)nnc2)Nc1cccc2c1CCN2C(=O)C	EMOLS-id_319057718	339.392	RTYODFQMIAHTGH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067377
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)C(=O)NC1CC1	EMOLS-id_319796291	339.392	IQUXUPLDPBXYRF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067378
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)N1CCCC1=O	EMOLS-id_319806630	339.392	IINSYFRZHDEDII-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-067379
O=C(C1CCn2c(CC1)nnc2)NCCc1nc2c(o1)cccc2C	EMOLS-id_319137922	339.392	SKSCYLQTPZTFPY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067380
OCc1[nH]c2c(n1)c(ccc2)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-1033855339,EMOLS-id_319898000	339.392	XVCABCSHSNMFNH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067381
O=C(c1oc2c(c1C)c(C)ccc2C)NC1CCc2n(CC1)nnn2	EMOLS-id_102162712	339.392	PWZFETJOKMYUMN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067382
O=C(Cc1ccccn1)N1CCCn2ncc(C(=O)NC3CC3)c2C1	EMOLS-id_313764559,ZINC22_585110908	339.392	YFPJGBPNZPGTLM-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-067383
O=C(Cn1c(=O)nc2-c1ccccc2)Nc1cc(nn1C(C)(C)C)C	EMOLS-id_318810505	339.392	LZWFSCDAZLFTDD-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-067384
O(C(C(=O)NCc1n2CCCCCc2nn1)C)c1ccc(cc1)C#N	PC-id_51266314	339.392	PMKIUMGCNHQSRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067385
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Nc1cccc2c1nc(o2)C	EMOLS-id_316351459,MCULE-9724926529	339.392	XPRDHEMXNZBEAH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067386
O=C(N1CCCc2c(C1)cnn2C)Cn1c(=O)n(c2c1cccc2)C	EMOLS-id_101669254	339.392	GTHAHYLHGRCUMW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067387
O=C(N1CCCn2c(C1)cc(n2)N)NCc1c(C)oc2c1cccc2	EMOLS-id_318856942	339.392	QQVHUDCYFMOACO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067388
O=C(N1CC(CN2CCCC2=O)Cn2ccnc2C1)c1cccnc1	EMOLS-id_44326285	339.392	UNLSOPXVAYSKAR-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-067389
O=C(NCc1[nH]c2c(c1)cc(OC)cc2)c1n2CCCCCc2nn1	PC-id_56720427	339.392	CLDLOEUAHHPPGN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067390
c12C(CCCCn1nnn2)C(=O)NCc1[nH]c2c(cc(c(C)c2)C)n1	MCULE-4129710914,EMOLS-id_177459222	339.395	CYCRHJFGRDHXFP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067391
c12CN(CCCn1nc(CNc1cccc(n1)C#N)c2)C(=O)N(C)C	EMOLS-id_44426417,ZINC22_82092433,MCULE-3347908406,PC-id_70713027	339.395	BIJOSCIVQDDYGR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067392
c12CN(CCCn1nc(CNc1ccc(cn1)C#N)c2)C(=O)N(C)C	EMOLS-id_44431179,MCULE-2843041658,PC-id_70726713,ZINC22_82099754	339.395	PNCAJPQOIZGMGY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067393
c12CN(CCCn1nc(CNc1cc(ccn1)C#N)c2)C(=O)N(C)C	PC-id_70753030,ZINC22_82121618,MCULE-8587140652,EMOLS-id_44440475	339.395	VVCFJNHZNQODBV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067394
c12CN(CCn1nc(C#N)c2)C(=O)NCc1c2CCCCCc2[nH]n1	PC-id_121511351,MCULE-7728481865,ZINC22_426673985,EMOLS-id_177492783	339.395	FOHGUDJJFRUGAP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-067395
c12ncccn1ncc2CNC(=O)CCc1cc2n(CCCNC2)n1	PC-id_70769341,ZINC22_72473262,MCULE-6633789209,EMOLS-id_43158936	339.395	PGXHYSSQZFHOPX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067396
c1(C(=O)NCCc2nnc3CCNCCn23)c2ccccc2n(C)n1	MCULE-2793451894,PC-id_56719975,ZINC22_67920569	339.395	PEFIDLUYUBOHBS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067397
c1(C(=O)NC(CC)c2cn3c(nccc3)n2)cn2c(CCNCC2)n1	EMOLS-id_330445332,MCULE-3981970263	339.395	PVBFMZWPTPNHQG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067398
c1(C(=O)NCCn2c3ccccc3nn2)cc2n(CCCN(C)C2)n1	EMOLS-id_32392596,PC-id_50961009,ZINC22_65397310,MCULE-9667695232	339.395	ZBTFEXPTNNLGNR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067399
Cc1cc2nc(CNC(=O)[C@@H]3CCCCn4nnnc34)[nH]c2cc1C	ZINC22_584897329	339.395	CYCRHJFGRDHXFP-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067400
Cc1cc2nc(CNC(=O)[C@H]3CCCCn4nnnc34)[nH]c2cc1C	ZINC22_584897330	339.395	CYCRHJFGRDHXFP-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067401
Cc1cc(CN2Cc3ccnn3CCC2COc2cnccn2)[nH]n1	EMOLS-id_313742518	339.395	HPXGXSUEMKXTON-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067402
Cc1cc(CN2Cc3ccnn3CC[C@H]2COc2cnccn2)n[nH]1	ZINC22_585097123	339.395	HPXGXSUEMKXTON-INIZCTEOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067403
Cc1cc(CN2Cc3ccnn3CC[C@@H]2COc2cnccn2)n[nH]1	ZINC22_585097124	339.395	HPXGXSUEMKXTON-MRXNPFEDSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067404
Cc1cc(CN2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)no1	ZINC22_306132272	339.395	LDIILJNDQIPSSR-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067405
Cc1cc(CN2Cc3ccnn3C[C@H](CNc3ncccn3)C2)no1	ZINC22_306132273	339.395	LDIILJNDQIPSSR-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067406
Cc1cc(CN2CC(CNc3ncccn3)Cn3nccc3C2)no1	EMOLS-id_50371215	339.395	LDIILJNDQIPSSR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067407
Cc1cc(C)n2c(C(=O)NCc3n[nH]c4c3CCCCC4)nnc2n1	EMOLS-id_232862415,ZINC22_825130617,MCULE-5076415121	339.395	DFZVXZFILRPFDG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067408
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(nc1c1cnn(c1)C)C	EMOLS-id_318983144	339.395	VMVVNLYUAYGYHP-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-067409
CCC(c1nnc2n1CCCCC2)NC(=O)c1ccc2n(c1)ncn2	EMOLS-id_319527094	339.395	JJIFKNSWMUIEEN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067410
CCC(c1nnc2n1CCCCC2)NC(=O)c1cccc2n1cnn2	EMOLS-id_319800350	339.395	IGGIDQQKMKLKNN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067411
CCC(c1nnc2n1CCCCC2)NC(=O)c1cccn2c1ncn2	EMOLS-id_318937402	339.395	MVBLTZUWWNKHRO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067412
CC[C@@H](NC(=O)c1cn2c(n1)CCNCC2)c1cn2cccnc2n1	ZINC22_1857722155	339.395	PVBFMZWPTPNHQG-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067413
CC[C@H](NC(=O)c1cn2c(n1)CCNCC2)c1cn2cccnc2n1	ZINC22_1857722157	339.395	PVBFMZWPTPNHQG-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067414
C[C@H](NC(=O)Cn1nnc2ccccc12)c1nnc2n1CCCCC2	PC-id_94069834,ZINC22_45897356	339.395	AGOFFOWGHTZBTO-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067415
C[C@@H](NC(=O)Cn1nnc2ccccc12)c1nnc2n1CCCCC2	ZINC22_45897357,PC-id_94069835	339.395	AGOFFOWGHTZBTO-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067416
CCn1c(N)nc2cc(cnc12)C(=O)N1CCCn2nc(C)cc2C1	EMOLS-id_43582653,ZINC22_77436478,MCULE-3405921823,PC-id_70750648	339.395	GCWXNGJHKDEIMV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067417
CCn1ncc2c1cc(cc2)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318978388	339.395	CNXHOOBXHMVZIU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067418
CCn1nnc2cc(C(=O)NCc3nnc4n3CCCCC4)ccc12	ZINC22_48291088,MCULE-5464170267,EMOLS-id_30687720,PC-id_47014555	339.395	VVBWBLWXJDNYAC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067419
Cn1cc(c(n1)c1ccnn1C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318817252	339.395	SBMKUXMWLZMVAP-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-067420
Cn1cc(CN2CCc3nnc(COc4ccccn4)n3CC2)cn1	EMOLS-id_46148047,PC-id_97381532,ZINC22_96058875	339.395	AROMEDUXZSEZNS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067421
Cn1ccnc1CN1CCCn2nnc(COc3cccnc3)c2C1	PC-id_97519092,ZINC22_96259002,EMOLS-id_44369552	339.395	CVXGJNTWINWSBI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067422
Cn1cncc1CN1CCc2n(CC1)c(nn2)COc1ccccn1	PC-id_97519288	339.395	IZLHESGNMLVUBJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067423
CN(Cc1cc2CNCCCn2n1)Cc1nc(no1)c1ccccn1	MCULE-3852654426,PC-id_56914945,EMOLS-id_43174012,ZINC22_72169280	339.395	HGDZDHSIPOOZFC-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067424
CN(Cc1[nH]nc2c1CCCCC2)Cc1onc(n1)c1nccnc1	CoCoCo_1404960,CoCoCo_1404957,CoCoCo_1404958,CHEMBL1460148,CoCoCo_1404959,PC-id_16190027	339.395	OKCUOEDRTCKGEU-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-067425
CN(C(=O)Cn1ncc2c1nccc2)Cc1nnc2n1CCCCC2	EMOLS-id_316674855	339.395	LQQIMWHOHKFQAW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067426
CN(C(=O)Nc1ccn2c(c1)ncc2)Cc1nnc2n1CCCCC2	EMOLS-id_319608149	339.395	WJVRPSHDBSGEBB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067427
CN(C(=O)Nc1cnc2n1cccc2)Cc1nnc2n1CCCCC2	EMOLS-id_320125103,MCULE-8779180561	339.395	XQGWRDOHXURKFR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067428
n1c(CNC(=O)NCc2cc3n(CCCNC3)n2)cn2ccccc12	ZINC22_426574792,EMOLS-id_82729619,MCULE-9939997260,PC-id_119069675	339.395	DOQMKFZPCJIRNS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067429
n1n(CCC(=O)NCc2cc3n(CCCNC3)n2)c2c(cccc2)n1	PC-id_70769018,EMOLS-id_44445981,ZINC22_82138467,MCULE-1226580599	339.395	YMEOEBXFGXYPRZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067430
Nc1cc2n(n1)CCCN(C2)C(=O)NCCc1nc2n(c1)cccc2	EMOLS-id_319775006	339.395	QSVQDHNZRVSIEO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067431
Nc1nn2c(c1)CN(CCC2)C(=O)NCc1nc2c(n1C)cccc2	EMOLS-id_318831490	339.395	QSFICLYCJKOWNR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067432
N#CC1(C(=O)N2CCCn3c(nnc3Cn3ccnc3)C2)CCCC1	ZINC22_1565555171,EMOLS-id_313782426	339.395	VEBDCUURMUFVFL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-067433
O=C(c1ccc2c(c1)nc([nH]2)C)NC(c1nnc2n1CCNCC2)C	EMOLS-id_36424656,MCULE-1938015104,PC-id_56702737	339.395	XZFUPZFGQACPGZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067434
O=C(c1ccc2c(c1)[nH]c(n2)C)N[C@H](c1nnc2n1CCNCC2)C	PC-id_95191567	339.395	XZFUPZFGQACPGZ-JTQLQIEISA-N	00000000100000100101000001000010000000000000000000000000	31-01-067435
O=C(c1ccc2c(c1)[nH]c(n2)C)N[C@@H](c1nnc2n1CCNCC2)C	PC-id_95191568	339.395	XZFUPZFGQACPGZ-SNVBAGLBSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067436
O=C(C1CC=CC1)N1CCCn2nnc(CNc3ncccn3)c2C1	ZINC22_96084704,EMOLS-id_46182431,PC-id_97405527	339.395	BHIKEIPZORLTGD-UHFFFAOYSA-N	00000011100000100101000000000010000000000000000000000000	31-01-067437
O=C(c1cccc2n1cnn2)NCCCc1nnc2n1CCCCC2	EMOLS-id_320145685,MCULE-7404320928	339.395	CZYLEDXXBSWKOF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067438
O=C(c1cccc2n1nnc2)NCCCc1nnc2n1CCCCC2	EMOLS-id_319065792	339.395	DUEROHGDVKJBRF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067439
O=C(c1cccn2c1nnc2)NCCCc1nnc2n1CCCCC2	EMOLS-id_318901624	339.395	FMUSAGIJKAWNRP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067440
O=C(C1CCn2c(CC1)nnc2)Nc1cc2c(C)nn(c2nc1C)C	MCULE-8900628754,EMOLS-id_319880563	339.395	IQWUKZMDPBUWCA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067441
O=C(c1[nH]nc(c1)c1cccn1C)NCc1nnc2n1CCCCC2	MCULE-9132251516,EMOLS-id_32435046,PC-id_50983565	339.395	UBFJQIIAGUQHDA-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-067442
O=C(CCc1ccc[nH]1)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_1565547045	339.395	DOVLXGYBHXRKFD-AWEZNQCLSA-N	00000000110000000101000000000010000000000000000000000000	31-01-067443
O=C(CCc1ccc[nH]1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_2055713199	339.395	DOVLXGYBHXRKFD-CQSZACIVSA-N	00000000110000000101000000000010000000000000000000000000	31-01-067444
O=C(CCc1ccc[nH]1)N1CCCn2c(Cn3ccnc3)nnc2C1	ZINC22_1565554279,EMOLS-id_313731285	339.395	MTWGDAVVWRDDBA-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-067445
O=C(CCc1ccc[nH]1)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_313723868	339.395	DOVLXGYBHXRKFD-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-067446
O=C(Cn1ncc2c1nccc2)NCCc1nnc2n1CCCCC2	EMOLS-id_319023594	339.395	JIOXHQOTTZNWCZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067447
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Nc1cnc2n(c1)ncc2	EMOLS-id_257966266,MCULE-6344339391	339.395	UDYNCNJWBMGSMU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067448
O=C(N1CCC=C(C1)c1ccncc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102161143	339.395	KUDZHMCFXUHCQH-UHFFFAOYSA-N	00000000100011101101100000000010000000000000000000000000	31-01-067449
O=C(N1CCCn2c(C1)cc(n2)N)NCc1nn(c2c1cccc2)C	EMOLS-id_319417888	339.395	MXRKZCUHHPTKJO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067450
O=C(Nc1[nH]c2c(n1)cccc2)CNCc1n2CCCCCc2nn1	PC-id_50949791	339.395	AQFNNFGXFRJDKV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067451
O=C(NC(c1n2CCCCCc2nn1)C)Cn1nnc2c1cccc2	MCULE-8446211243,EMOLS-id_36266357,PC-id_53522842	339.395	AGOFFOWGHTZBTO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067452
Cn1c(nnn1)SCC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625267	339.397	JIDWJUIXRMFWBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067453
O=C(Nc1nc2c(s1)CCCCC2)NCCSC(F)(F)F	PC-id_112838301	339.4	GJCOPSSGKKWQGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067454
c1(NC(=O)CCCC(=O)O)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_896315,ChEMBL-DNDi_CHEMBL1598542,CHEMBL1598542,MCULE-6499952833,SPECS-id_AK-968/13409002,ZINC22_4614224,EMOLS-id_2195766,PC-id_2930974	339.407	GWXJMNNGPXXNDK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067455
c1(NC(=O)CCC(=O)O)sc2c(CCCCC2)c1C(=O)OCC	SPECS-id_AK-968/12096253,PC-id_2862686,CHEMBL1542905,TIMTEC268719,EMOLS-id_2096017,ChEMBL-DNDi_CHEMBL6049-1238,CoCoCo_684060,ZINC22_3634300,MCULE-5406928700	339.407	KPHSUFUEWZLFOG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067456
c1(NC(=O)CCC(=O)O)sc2c(CCCCCC2)c1C(=O)OC	SPECS-id_AK-968/37272014,MCULE-8332297979,CoCoCo_5820507,TIMTEC226121,ZINC22_5719944,EMOLS-id_4019047,PC-id_4522423	339.407	IUBBUNIICOSHAQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067457
OC(=O)CC[C@H](C(=O)O)NC(=O)c1sc2c(c1)CCCCCC2	PC-id_25528383,CoCoCo_3918058	339.407	GIVAIAGDAIISGL-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067458
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1sc2c(c1)CCCCCC2	PC-id_25528387,CoCoCo_3918057	339.407	GIVAIAGDAIISGL-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-067459
OC(=O)CN1C(=O)CCC(c2c1ccs2)CC(=O)OC(C)(C)C	PC-id_69283098,SCHEMBL5023977	339.407	WAUOYXVURIDVJR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067460
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CC)C(=O)OC	PC-id_7851180	339.407	NIUWAAIOWNYCNJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067461
s1c2c(CCCCC2)c(c1NC(=O)C(=O)OCC)C(=O)OCC	PC-id_10947769	339.407	GBKUTXQBUXQWJE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067462
s1c2CCCCCCc2cc1C(=O)NC(CCC(=O)O)C(=O)O	PC-id_45355005	339.407	GIVAIAGDAIISGL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067463
s1c2CCCCCCc2cc1C(=O)OC(C)C(=O)NC(=O)OC	PC-id_84878975	339.407	BZICWYNORBICIE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067464
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)OCC	PC-id_7618440	339.407	OKDZARKSPUWNOY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067465
s1c2CCCCCCc2cc1C(=O)O[C@@H](C)C(=O)NC(=O)OC	PC-id_8943145	339.407	BZICWYNORBICIE-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-067466
s1c2CCCCCCc2cc1C(=O)O[C@H](C)C(=O)NC(=O)OC	PC-id_8943150	339.407	BZICWYNORBICIE-SNVBAGLBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067467
CN(C)CCOCc1nnc2CCN(CCn12)C(=O)C1(F)CCC1	EMOLS-id_313735377,ZINC22_1565545162	339.408	AWQKYDRCFQKBJA-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-067468
CN(C)CCOCc1nnn2c1CN(C(=O)C1CC(F)C1)CCC2	EMOLS-id_313735643,ZINC22_585110542	339.408	REFHUUOJLAWJTQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-067469
CN(C)CCOCc1nnn2c1CN(C(=O)C1(F)CCC1)CCC2	EMOLS-id_313735899,ZINC22_585110540	339.408	IOFZCZQNVTXEAS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-067470
c1(NC(=O)/C(=NO)/N)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_53274970,MCULE-8633015296	339.41	FCQAWSRWNKFDJC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067471
CCS(=O)(=O)N1CCCn2cnc(COCc3ccco3)c2C1	EMOLS-id_44371516,ZINC22_96259992,PC-id_97520072	339.41	BOYAFNICAYWGRV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-067472
Cn1ncc2c1CCCN(Cc1cnn(Cc3ccc(F)cc3)c1)C2	EMOLS-id_316904335,MCULE-5892140432,ZINC22_414472755	339.41	PBMBVEJOYJEZNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067473
COCC(=O)N1CCc2nc(C(=O)N3CCOCC3)sc2CC1	EMOLS-id_44379396,PC-id_97524714,ZINC22_96264781	339.41	AJHYAPGNMCNBNI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067474
COCn1nc(c(c1C)S(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99309023	339.41	WWWDVWBOBAGCKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067475
COC(=O)C1OCCN(C1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110524964	339.41	IDECPVDJHFHTJP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067476
COC(=O)CCC(=O)N1CCc2nc(C(=O)N(C)C)sc2CC1	ZINC22_96147024,EMOLS-id_44304016,PC-id_97442548	339.41	DVHQJVPUQQCMLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067477
CSCC[C@H](NC(=O)c1coc2c1N(C)C(=O)CCC2)C(=O)N	ZINC22_1875347791	339.41	SMOBQDDCDVZBRD-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-067478
Fc1ccc(c2n[nH]cc2CNCc2n[nH]c3c2CCCCC3)cc1	ZINC22_55327542,MCULE-5700323892,EMOLS-id_31619699,PC-id_46994960	339.41	ZOQCVHDFBWECMQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067479
C1CCc2c(CC1)sc(c2)C(=O)N=Nc1c([nH]c2ccccc12)O	PC-id_135731441	339.411	URPBTUSPTDDQAL-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-067480
c1(NC(=O)c2ccc(cc2)C#N)sc2c(CCCCC2)c1C(=O)N	SCHEMBL8288682,EMOLS-id_4948387,ZINC22_4176864,CoCoCo_5014634,MCULE-5468825477,PC-id_4557443	339.411	GKCFDUXRUVGJOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067481
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc(c1)c1cnco1	EMOLS-id_319806975	339.411	NXDYVHMJXIHMAK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067482
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccnc(c1)c1ccco1	EMOLS-id_319328772	339.411	VVDAMBYQOMFDAZ-UHFFFAOYSA-N	00000000101000101101100000000010000000000000000000000000	31-01-067483
Cc1nc2c(s1)N(CCCC2)C(=O)c1noc(c1)c1ccccc1	EMOLS-id_319846974	339.411	IRJREGUCWVJNIG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067484
N#Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1	EMOLS-id_24158288,CoCoCo_3250485,ZINC22_13072778,MCULE-3997769873,PC-id_25701657	339.411	YDQDPANQIGBCTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067485
N#CC(C(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccccn1	PC-id_71939616,MCULE-5480172868,EMOLS-id_44498494	339.411	ZDCWSVUHPFVZRL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-067486
N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)CCCCC2	ZINC22_102387416,PC-id_98305810	339.411	ZDCWSVUHPFVZRL-ZDUSSCGKSA-N	00000000100000101100000000000010000000000000000000000000	31-01-067487
N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)CCCCC2	ZINC22_102387418,PC-id_98305811	339.411	ZDCWSVUHPFVZRL-CYBMUJFWSA-N	00000000100000101100000000000010000000000000000000000000	31-01-067488
s1c2CCCCCc2cc1C(=O)NNC1=c2c(=NC1=O)cccc2	PC-id_8159537	339.411	IJKAJLMXLUFXCI-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-067489
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(cc1)C#N	PC-id_9301186	339.411	IMTFWVKMYGQFIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067490
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(ccc1)C#N	PC-id_9301273	339.411	KFYYZTCIQZEEID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067491
s1c2CCCCCc2nc1NC(=O)c1noc(c1)c1ccccc1	PC-id_55507500	339.411	GHIFCOTUCRXNAV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067492
s1c2CCCCCCc2cc1C(=O)Nc1cc2=NC(=O)N=c2cc1	PC-id_74462287	339.411	QMUDZHMWWJOVEG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067493
Cc1onc(c1S(=O)(=O)N(Cc1nnc2n1CCCCC2)C)C	EMOLS-id_110778560	339.413	JOCKQFQCYBOYKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067494
CC(C)(C)c1nc(CS(=O)(=O)c2nnc3n2CCCCC3)no1	MCULE-6243996077,ZINC22_125323175,EMOLS-id_189708173	339.413	QQDNAYPUZWLHHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067495
CCOCC1CN(Cc2nccn2C1)S(=O)(=O)c1cn(C)cn1	EMOLS-id_44325833	339.413	DGWZRFRAPMSBIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067496
CCOC[C@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2nccn2C1	PC-id_97462253,ZINC22_96187800	339.413	DGWZRFRAPMSBIH-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067497
CCOC[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)Cc2nccn2C1	ZINC22_96187801,PC-id_97462254	339.413	DGWZRFRAPMSBIH-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067498
COC1CN(Cc2ccnn2C1)S(=O)(=O)c1c(C)nn(C)c1C	EMOLS-id_50372909	339.413	QQOSPHYTLBMGHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067499
COCCn1ncc(c1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319449870	339.413	BFJRZXYCSSUXDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067500
CO[C@@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2ccnn2C1	ZINC22_306137252	339.413	QQOSPHYTLBMGHF-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067501
CO[C@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2ccnn2C1	ZINC22_306137253	339.413	QQOSPHYTLBMGHF-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067502
CSCc1noc(CN2CCCn3nc(cc3C2)C(O)CO)n1	PC-id_91795139,EMOLS-id_55704022,MCULE-7653802474	339.413	LCLGYZFRPOMNTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067503
CSCc1noc(n1)CN1CCCn2c(C1)cc(n2)[C@H](CO)O	PC-id_99995376	339.413	LCLGYZFRPOMNTJ-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067504
CSCc1noc(n1)CN1CCCn2c(C1)cc(n2)[C@@H](CO)O	PC-id_99995378	339.413	LCLGYZFRPOMNTJ-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067505
O=C1CCCN1Cc1nnn2c1CN(CCC2)S(=O)(=O)C1CC1	PC-id_97405518	339.413	NRBDGQDHVMOGSO-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-067506
c1(cc2c(CCCCC2)s1)C(=O)Nc1cccc(c1)c1[nH]nnn1	MCULE-2152804521,PC-id_6465904,CoCoCo_1045037,CoCoCo_1045038,ZINC22_6700310,EMOLS-id_2325088	339.415	DAUXFMAJAKWNHY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067507
c1(C(=O)Nc2cccc(c2)c2cscn2)cn2c(CCNCC2)n1	MCULE-1154275358,EMOLS-id_330494280,ZINC22_1857737336	339.415	IDTSDGIGCZUCHG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067508
c1(C(=O)Nc2scc(c3ccccn3)n2)c2CCCCCc2n[nH]1	EMOLS-id_50401687,EMOLS-id_49247760,ZINC22_96231340,MCULE-4644505288,STOCK7S-46650,PC-id_75489775	339.415	DGWPJHDZTDNODA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067509
c1(C(=O)Nc2scc(c3cccnc3)n2)c2CCCCCc2n[nH]1	EMOLS-id_49248674,PC-id_75490183,EMOLS-id_50402180,ZINC22_96231860,STOCK7S-47119,MCULE-9195055807	339.415	LTZHKAZKWBGXOT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067510
c1(C(=O)Nc2scc(c3ccncc3)n2)c2CCCCCc2n[nH]1	ZINC22_96230781,MCULE-9699150701,EMOLS-id_49246818,PC-id_75357108,EMOLS-id_50402665,STOCK7S-46163	339.415	WSCGHNFVFLVBRX-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067511
c1(sc2c(CCCCC2)n1)NC(=O)c1[nH]nc(c2cccnc2)c1	ZINC22_96118112,PC-id_71828298,STOCK7S-43852,MCULE-2803470647,EMOLS-id_50402892,EMOLS-id_48569354	339.415	BOQRCLWJOXJNAO-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067512
c1(sc2c(CCCCC2)n1)NC(=O)c1[nH]nc(c2ccncc2)c1	MCULE-6427970104,EMOLS-id_318925108,EMOLS-id_323238872	339.415	TVLBDRABNKKFDG-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067513
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1csc(n1)c1ccccn1	EMOLS-id_319793610	339.415	ULMOIOCSCGMHTF-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067514
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cc1)n1cnnc1	EMOLS-id_318896719	339.415	PLLHAWPRLRWHMP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067515
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cc1)n1nncc1	EMOLS-id_319536749	339.415	NBLLEDSBEFKUAZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067516
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cn1)n1cncc1	EMOLS-id_319574395	339.415	GMTOIUFUIQWWHQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067517
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(nc1)n1cccn1	EMOLS-id_318940047	339.415	PRGHKGLNQKZJGH-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067518
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccnc(c1)n1cccn1	MCULE-6540703023,EMOLS-id_320009607	339.415	IEIIVHFNQQPDMV-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067519
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccn(n1)c1ccncc1	MCULE-3995383026,EMOLS-id_320319794	339.415	NWOCZBHBZXEYQB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067520
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnn(c1)c1ccncc1	EMOLS-id_319992425,MCULE-8551936104	339.415	CXARKZDVMWIKTB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067521
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnn(n1)c1ccccc1	EMOLS-id_319384530	339.415	YKGZHZPWAJYHFR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067522
Cc1nc2c(s1)N(CCCC2)C(=O)c1nccc(c1)n1cccn1	MCULE-8466905978,EMOLS-id_320202743	339.415	MJBCBNJOBBNULV-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067523
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)c1cscn1	EMOLS-id_337826700,MCULE-3477757024,ZINC22_2356169231	339.415	NMYZYJLZMFFPHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067524
N#Cc1c(sc2c1CCCCCC2)NC(=O)c1cnn(c1C#N)C	EMOLS-id_111627484	339.415	XJPHBSMSLSIFBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067525
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)c1nccs1	EMOLS-id_319251371	339.415	APRKQGXOSSPIJQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067526
O=C(C1CCn2c(CC1)nnc2)Nc1scnc1c1ccccc1	EMOLS-id_320068466,MCULE-2098443130	339.415	QRNCRNKVNZXOLH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067527
O=C(Nc1ccc(n2cncn2)nc1)c1cc2c(s1)CCCCC2	PC-id_35435145,EMOLS-id_30689704,MCULE-2922667203,ZINC22_28088589	339.415	NQUQQTKLEKNXRI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067528
O=C(Nc1ccc(n2cnnn2)cc1)c1cc2c(s1)CCCCC2	PC-id_2452069,EMOLS-id_3328185,ZINC22_3335919,CoCoCo_3182631,MCULE-3745440364	339.415	PFWPASYGQAQYCW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067529
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(n2cccn2)nc1	MCULE-6754082059,CoCoCo_4661003,EMOLS-id_17218739,ZINC22_24987468,PC-id_24249525	339.415	SMEIEESWASVBGJ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067530
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(n2cncn2)cc1	EMOLS-id_13497076,CoCoCo_4546199,MCULE-6324856282,ZINC22_12828840,PC-id_17457658	339.415	ABBJFOPSIHTGGY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067531
O=C(Nc1nc2c(s1)CCCCC2)c1cnn(c2ccccc2)n1	CoCoCo_4546181,PC-id_25541143,EMOLS-id_24005912,MCULE-1866340358,ZINC22_12828728	339.415	HDMXIVCVBIUVRV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067532
O=C(Nc1nc(c2ccccn2)n[nH]1)c1cc2c(s1)CCCCC2	MCULE-1868757056,ZINC22_47343153,EMOLS-id_31965483,PC-id_47037782	339.415	RHHXKYAOPMEEPO-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067533
s1c2CCCCCc2cc1C(=O)Nc1cc(n2nnnc2)ccc1	PC-id_24396636	339.415	BKNGOMNFAHYQAH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067534
s1c2CCCCCc2nc1NC(=O)c1nnn(c1)c1ccccc1	PC-id_43066389	339.415	PIKZKFNOWJGLAX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067535
CC(Cn1cnc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102026749	339.417	WXYJICJATFDUNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067536
CCn1nc(c(c1C)S(=O)(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102026728	339.417	HZFCFWQLEQJOAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067537
CCCc1ccccc1C(=O)c1ccc2n1CCCCC2C(=O)OC	SCHEMBL11205562,PC-id_20483912	339.428	VGAXLHXRTXOHKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067538
CCCc1ccccc1C(=O)c1c(C)cc2n1CCCCC2C(=O)O	SCHEMBL11197052,PC-id_20483782	339.428	YUFPQWNRYKNCMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067539
CCCCc1cccc(c1)C(=O)c1ccc2n1CCCCC2C(=O)O	SCHEMBL11200647,PC-id_20483722	339.428	AWMKQHZJIBBGBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067540
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(cc1)C)C	PC-id_20483893,SCHEMBL11195820	339.428	NIJZYOVAGSPCON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067541
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1ccccc1)C)C	SCHEMBL11193845,PC-id_20484222	339.428	LSOWSEQGWGQLQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067542
OC(=O)C1CCCCn2c1ccc2C(=O)c1c(CCCC)cccc1	PC-id_20484142	339.428	WBRHWDATEHVOKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067543
COc1cccc(c1S(=O)(=O)N1CCCc2c(C1)ccs2)O	EMOLS-id_319008542	339.43	JQAWFIMUEUMZOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067544
c12CN(CCCc1n(nc2)C)C(=O)CCc1ccc2c(CC(O2)C)c1	MCULE-7482984052,EMOLS-id_30432875,PC-id_46967756,SYN-19598557	339.431	BKZPZEHOTZMVNQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067545
C1(c2ccc(cc2)OC)(C(=O)NCc2c3CCCCCc3[nH]n2)CC1	PC-id_91840090,ZINC22_244816740,MCULE-2352758205,EMOLS-id_55683629	339.431	SNPUWIGBYMZDCJ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-067546
C1CC1CNC(=O)c1nc2c(o1)CCN(CC2)CCc1ccccc1	PC-id_134809293	339.431	YHJLIUHPXCQQGA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067547
c1(C(=O)N2CCN(CC2)Cc2ccccc2)c2CCCCCc2on1	EMOLS-id_16234747,PC-id_20923838,MCULE-5513008265,CoCoCo_2401371	339.431	NPDWNNHVWVQZQG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-067548
Cc1cccc(COC2CN(Cc3cccn3C2)C(=O)C2CCC2)n1	EMOLS-id_55751285	339.431	OVLFAAOWISPKNC-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-067549
Cc1cccc(CO[C@@H]2CN(C(=O)C3CCC3)Cc3cccn3C2)n1	ZINC22_575404825	339.431	OVLFAAOWISPKNC-IBGZPJMESA-N	00001000100000101101000000000010000000000000000000000000	31-01-067550
Cc1cccc(CO[C@H]2CN(C(=O)C3CCC3)Cc3cccn3C2)n1	ZINC22_575404826	339.431	OVLFAAOWISPKNC-LJQANCHMSA-N	00001000100000101101000000000010000000000000000000000000	31-01-067551
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CC(C1)OCc1ccccc1	EMOLS-id_319300713	339.431	MZXMLTVMSULMLV-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-067552
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)C1CCOCC1	EMOLS-id_319165389	339.431	XSFDOKQPBPLIOF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067553
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(c1ccc(cc1)O)C1CC1	EMOLS-id_319650767	339.431	BAPWZIZFROYBOS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067554
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1COCC[C@@H]1c1ccccc1	EMOLS-id_318780139	339.431	MSDNHKRWITYHIU-KNHHTTPFSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067555
CCc1cccc(c1NC(=O)c1nn(c2c1CCCCC2=O)C)CC	SCHEMBL12698145,PC-id_68358103	339.431	CBQRZXGKJWNWJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067556
C=CCOCC1CN(Cc2nccn2C1)C(=O)CCc1ccccc1	EMOLS-id_44325889	339.431	SISVOMCXTHUZEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067557
C=CCOC[C@H]1CN(C(=O)CCc2ccccc2)Cc2nccn2C1	PC-id_97462307,ZINC22_96187856	339.431	SISVOMCXTHUZEZ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067558
C=CCOC[C@@H]1CN(C(=O)CCc2ccccc2)Cc2nccn2C1	ZINC22_96187857,PC-id_97462308	339.431	SISVOMCXTHUZEZ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067559
C[C@@H]1Cc2cc(CCC(=O)N3CCCc4c(cnn4C)C3)ccc2O1	CoCoCo_489840,ZINC22_12241341,PC-id_51500166	339.431	BKZPZEHOTZMVNQ-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067560
C[C@H]1Cc2cc(CCC(=O)N3CCCc4c(cnn4C)C3)ccc2O1	ZINC22_12241345,CoCoCo_489841,PC-id_51500167	339.431	BKZPZEHOTZMVNQ-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067561
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)Cc1ccc(C)cc1	EMOLS-id_313810977	339.431	QUPLXOPZRGHBCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067562
CNC(=O)C[C@@H]1CN(C(=O)Cc2ccc(C)cc2)Cc2cccn2C1	ZINC22_585099159	339.431	QUPLXOPZRGHBCR-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067563
CNC(=O)C[C@H]1CN(C(=O)Cc2ccc(C)cc2)Cc2cccn2C1	ZINC22_585099160	339.431	QUPLXOPZRGHBCR-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067564
COCC1CN(Cc2cncn2C1)C(=O)CC1Cc2ccccc2C1	EMOLS-id_49233009	339.431	PVFUHBJSXQZCFU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067565
Cc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2)cn1	ZINC22_585098329	339.435	WLPKBAJZJYCVRV-KRWDZBQOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-067626
COC[C@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2cncn2C1	PC-id_97477381,ZINC22_96209254	339.431	PVFUHBJSXQZCFU-INIZCTEOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067566
COC[C@@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2cncn2C1	ZINC22_96209255,PC-id_97477382	339.431	PVFUHBJSXQZCFU-MRXNPFEDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067567
o1nc(c2CCCCCc12)C(=O)N1CCN(CC1)c1ccc(cc1)C	PC-id_71449719	339.431	BRIXIUCJHUDPNX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067568
O=C1N(CC2CC2)CC(Cn2nc(cc12)COc1ccccc1)(C)C	PC-id_72703193	339.431	UZPVDLNUJUJDHE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067569
O=C(c1noc2c1CCCCC2)N1CCC(CC1)Cc1cccnc1	EMOLS-id_100136128	339.431	FXGIMGOMHMWOHS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-067570
O=C(c1noc2c1CCCCC2)N1CCCCCC1c1ccncc1	EMOLS-id_100924794	339.431	ZIYKTBZBZJUJOW-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067571
O=C(c1noc2c1CCCCC2)N1CCCC(CC1)c1ccncc1	EMOLS-id_319692056	339.431	ONKZGTFFJCAJIV-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067572
O=C(c1noc2c1CCCCC2)N1CCC[C@H]1CCc1ccccn1	EMOLS-id_319751213	339.431	IPYFOXMWHFANMD-INIZCTEOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-067573
O=C(c1noc2c1CCCCC2)Nc1ccccc1N1CCCCC1	EMOLS-id_100936257	339.431	RAFXBGSJWFFIBD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067574
O=C(c1noc2c1CCCCC2)NC1CCCN(C1)c1ccccc1	EMOLS-id_100129884	339.431	PRRUJJONWMCHGW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067575
O=C(Cc1ccccc1)N1Cc2nccn2C[C@H](COCC2CC2)C1	PC-id_97462355,ZINC22_96187906	339.431	PGVRSAVNTLOGAU-SFHVURJKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067576
O=C(Cc1ccccc1)N1Cc2nccn2C[C@@H](COCC2CC2)C1	PC-id_97462356,ZINC22_96187907	339.431	PGVRSAVNTLOGAU-GOSISDBHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067577
O=C(Cc1ccccc1)N1CC(COCC2CC2)Cn2ccnc2C1	EMOLS-id_44325939	339.431	PGVRSAVNTLOGAU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067578
OC/C=CC=C(C1=CCc2c(N=C1)[nH]cc2/C=C/C(=O)N(C)C)/CC	PC-id_145492033	339.431	XKQZZBPDDMDLHI-HDNAAOHNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-067579
O[C@@H]1C[C@](C1)(c1ccccc1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_278991309	339.431	XIGPXXCBEDQLFT-MOBUCQHHSA-N	00001000100000110101100000000010000000000000000000000000	31-01-067580
O=C(N1CCCc2c(C1)cco2)[C@@H]1CC[C@@H](CC1)Nc1ccccn1	EMOLS-id_319146999	339.431	FRVLJWJPIPZVPF-WOVMCDHWSA-N	00000000100010101100000000000010000000000000000000000000	31-01-067581
Cc1ccc(s1)S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_112056890	339.433	QIBCMQCGOBBKLX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067582
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(s1)S(=O)(=O)C	EMOLS-id_319204800	339.433	WOOLQGCBJQIIBP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067583
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1csc(c1)S(=O)(=O)C	EMOLS-id_319468196	339.433	LLBCYSYGSYCZJQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067584
C[C@@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@@H]1CNC)nn2)C	PC-id_134828973	339.433	HEZUBNXXIXCXDH-VNHYZAJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067585
Cn1cc(S(=O)(=O)/N=C(O)/c2cc3c(s2)CCCCC3)cn1	ZINC22_48646740,PC-id_75479350	339.433	RGTOOTVUTUWQTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067586
CNC[C@H]1OCc2cnnn2CCCC(=O)N(C[C@@H]1C)[C@H](CO)C	CHEBI:112537,PC-id_44494488	339.433	FOLOUAULJSJVDY-KCQAQPDRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067587
CNC[C@H]1OCc2cnnn2CCCC(=O)N(C[C@H]1C)[C@H](CO)C	CHEBI:95906,PC-id_44506097	339.433	FOLOUAULJSJVDY-VNHYZAJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067588
CNC[C@@H]1OCc2cnnn2CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C	CHEBI:95944,PC-id_44496407	339.433	FOLOUAULJSJVDY-GUTXKFCHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067589
CNC[C@@H]1OCc2cnnn2CCCC(=O)N(C[C@H]1C)[C@@H](CO)C	CHEBI:96055,PC-id_44506095	339.433	FOLOUAULJSJVDY-NFAWXSAZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067590
CNC[C@H]1OCc2cnnn2CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C	CHEBI:96500,PC-id_44505071	339.433	FOLOUAULJSJVDY-GZBFAFLISA-N	00000000100000000101000000000010000000000000000000000000	31-01-067591
CNC[C@H]1OCc2cnnn2CCCC(=O)N(C[C@H]1C)[C@@H](CO)C	CHEBI:96784,PC-id_44506096	339.433	FOLOUAULJSJVDY-UMVBOHGHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067592
CNC[C@@H]1OCc2cnnn2CCCC(=O)N(C[C@H]1C)[C@H](CO)C	PC-id_44505072,CHEBI:96995	339.433	FOLOUAULJSJVDY-IPYPFGDCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067593
CNC[C@@H]1OCc2cnnn2CCCC(=O)N(C[C@@H]1C)[C@H](CO)C	PC-id_44505073,CHEBI:96144	339.433	FOLOUAULJSJVDY-YDHLFZDLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067594
CNC[C@@H]1OCc2nnn(c2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C	CHEBI:113486,PC-id_44488710	339.433	DOGJCEWMCMFHOH-IPYPFGDCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067595
CNC[C@H]1OCc2nnn(c2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C	CHEBI:95915,PC-id_44487425	339.433	DOGJCEWMCMFHOH-KCQAQPDRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067596
CNC[C@@H]1OCc2nnn(c2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C	CHEBI:96367,PC-id_44485769	339.433	DOGJCEWMCMFHOH-NFAWXSAZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067597
CNC[C@@H]1OCc2nnn(c2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C	CHEBI:96414,PC-id_44486374	339.433	DOGJCEWMCMFHOH-GUTXKFCHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067598
CNC[C@H]1OCc2nnn(c2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C	PC-id_44485085,CHEBI:95766	339.433	DOGJCEWMCMFHOH-UMVBOHGHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067599
CNC[C@H]1OCc2nnn(c2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C	PC-id_44485768,CHEBI:96657	339.433	DOGJCEWMCMFHOH-VNHYZAJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067600
CNC[C@H]1OCc2nnn(c2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C	PC-id_44486977,CHEBI:96916	339.433	DOGJCEWMCMFHOH-GZBFAFLISA-N	00000000100000000101000000000010000000000000000000000000	31-01-067601
CNC[C@@H]1OCc2nnn(c2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C	PC-id_44488711,CHEBI:96185	339.433	DOGJCEWMCMFHOH-YDHLFZDLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067602
COc1ccccc1SCc1nnc2n1CCS(=O)(=O)CC2	ZINC22_630951292,MCULE-9253565610,EMOLS-id_313166658	339.433	JYNHRVSFODPYDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067603
COc1snc(c1C(=O)N1CCCCc2c1sc(n2)C)OC	EMOLS-id_319316434	339.433	VYQMAPRPFVRXAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067604
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CNC	PC-id_75036205	339.433	FOLOUAULJSJVDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067606
O=C(c1cc2c(s1)CCCCC2)NS(=O)(=O)c1nccn1C	EMOLS-id_319539967	339.433	VCSIXOZGQRUFHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067607
s1c2c(nc1NC(=O)C[NH+]1CCOCC1)CC(CNC2=O)(C)C	PC-id_4614604	339.433	VLOABKCKANAPIL-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-067608
c12CN(CCCn1nc(CO)c2)CCc1[nH]c2c(ccc(C)c2C)n1	EMOLS-id_55690301,MCULE-9747482695,PC-id_91790503	339.435	ZMSLVOVESXKYSH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067609
c12nnnn1CCCCC2C(=O)N(CCC)CC=Cc1ccccc1	MCULE-9904471687	339.435	KJADASDHOGTYRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067610
c1(CN2CCCn3c(cc(n3)C(O)C3CC3)C2)cc(n(C)c1C)C#N	EMOLS-id_55691725,PC-id_91790977,MCULE-2576506059	339.435	YKITVLUZNSGBGR-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-067611
c1(CN(C)C(=O)c2ccc3c(N(C)CC3)n2)c2CCCCCc2[nH]n1	MCULE-8044634160,ZINC22_1940198294,EMOLS-id_336480198	339.435	BNKWQTYSOBVYTF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067612
c1(C(=O)N2CCC(N)C2)cc2n(CCCN(Cc3ccccc3)C2)n1	EMOLS-id_36422322,PC-id_56701634,MCULE-7109400234	339.435	ZPWFCTDFNNSORO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067613
c1(C(=O)NC2CNCC2)cc2n(CCCN(Cc3ccccc3)C2)n1	PC-id_56712060,EMOLS-id_36444170,MCULE-4448026898	339.435	LUEKDGIMCLPVRV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067614
c1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cn2c(CCNCC2)n1	MCULE-9052485062,ZINC22_1857722830,EMOLS-id_330486288	339.435	PEEXWBKVEVUAND-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067615
Cc1ccc2c(c1)C(NC(=O)N1CCCn3c(C1)cc(n3)N)C(C2)C	EMOLS-id_318900092	339.435	LUDGMQJTRBUUIN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067616
Cc1ccc2[nH]c(CN(C)Cc3nnc4n3CCOCC4)cc2c1C	ZINC22_1875274837	339.435	LLNWKNFQRXBFLZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067617
Cc1cccc(c1)C1(CCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102162610	339.435	OCFQAWXKWVEUDC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-067618
Cc1ccccc1C1(CCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102176504	339.435	IUDFHNSXGFOMEC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-067619
Cc1ccc(cc1)C(C1CC1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320180819,MCULE-8274974163	339.435	GDLKGHUOHKHMRM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067620
Cc1cccc(c1)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320277528,MCULE-1909125037	339.435	NQEBCSOGTIIBPR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067621
Cc1cccc(CN2CCCn3cnc(CN4CCCC4=O)c3C2)n1	EMOLS-id_44370368,ZINC22_96259409,PC-id_97519493	339.435	YULPIWLCPSVSKQ-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-067622
Cc1cccc(C(=O)N2CCCn3cnc(CN4CCCC4)c3C2)n1	ZINC22_96084633,PC-id_97405456,EMOLS-id_46182279	339.435	VKTUQQOUZYSVAC-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-067623
Cc1ccc(cn1)C(=O)N1Cc2ccnn2CCC1CN1CCCC1	EMOLS-id_313815596	339.435	WLPKBAJZJYCVRV-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-067624
Cc1ccc(cn1)C(=O)N1CCc2ncc(CN3CCCC3)n2CC1	EMOLS-id_313781707,ZINC22_1147162608	339.435	QZCBFIOKGSRQMI-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-067625
Cc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2)cn1	ZINC22_585098331	339.435	WLPKBAJZJYCVRV-QGZVFWFLSA-N	00000010100000101101000000000010000000000000000000000000	31-01-067627
Cc1cccnc1CN1Cc2ccnn2CCC1CNC(=O)C1CC1	EMOLS-id_313818151	339.435	FMQRITKPZUWOND-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-067628
Cc1cccnc1CN1Cc2ccnn2CC[C@H]1CNC(=O)C1CC1	ZINC22_585096911	339.435	FMQRITKPZUWOND-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-067629
Cc1cccnc1CN1Cc2ccnn2CC[C@@H]1CNC(=O)C1CC1	ZINC22_585096914	339.435	FMQRITKPZUWOND-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-067630
Cc1c(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)cc(C#N)n1C	PC-id_100213985,ZINC22_223226847	339.435	YKITVLUZNSGBGR-IBGZPJMESA-N	00100000110000000101000000000010000000000000000000000000	31-01-067631
Cc1c(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)cc(C#N)n1C	ZINC22_230553192	339.435	YKITVLUZNSGBGR-LJQANCHMSA-N	00100000110000000101000000000010000000000000000000000000	31-01-067632
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncccc1NCC1CCC1	EMOLS-id_320174006,MCULE-4428269315	339.435	STOONUFWZIOOOT-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-067633
Cc1cncc(c1)C(=O)N1CCCn2c(C1)c(nc2)CN1CCCC1	PC-id_97405457	339.435	UPKHSEOSUAJAMY-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-067634
CCc1cc2c(cc1)N(CC2)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_317732776,MCULE-1265487467,PC-id_136568145	339.435	CVEYLEZDALOQSR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067635
CCC1=NOC(CN2CCc3nnc(Cc4ccccc4)n3CC2)C1	PC-id_91843257,EMOLS-id_55705578,MCULE-2553731447	339.435	UAGLJUXOEXDRLE-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-067636
CCC1=NO[C@H](CN2CCc3nnc(Cc4ccccc4)n3CC2)C1	ZINC22_244828658	339.435	UAGLJUXOEXDRLE-KRWDZBQOSA-N	00000011100000110101000000000010000000000000000000000000	31-01-067637
CCC1=NO[C@@H](CN2CCc3nnc(Cc4ccccc4)n3CC2)C1	ZINC22_244828659	339.435	UAGLJUXOEXDRLE-QGZVFWFLSA-N	00000011100000110101000000000010000000000000000000000000	31-01-067638
CCC(c1cccc(c1O)C#N)NCCc1nnc2n1CCCCC2	EMOLS-id_316571116	339.435	MLLCXCXNUZRXNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067639
CCC(c1nnc2n1CCCCC2)NC(=O)C1CCc2c1nccc2	EMOLS-id_102245904	339.435	DPLZSWDUTDUMNN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067640
CCC(c1nnc2n1CCCCC2)NC(=O)c1nccc(c1)C1CC1	EMOLS-id_319965226,MCULE-1907994036	339.435	LNYOYNQTXIZCLC-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-067641
C/C=C(C)/CN1CCc2nnc(CNC(=O)c3ccccc3)n2CC1	EMOLS-id_44851717,CoCoCo_1208112,PC-id_42340386,ZINC22_11995594,CoCoCo_1208114	339.435	JOYQRDCFZDQVDI-CRKCGEKBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067642
C/C=C(CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccc1)/C	CoCoCo_1208113,CoCoCo_1208111	339.435	JOYQRDCFZDQVDI-CQPUUCJISA-N	00000000100000110101000000000010000000000000000000000000	31-01-067643
CCCN(C/C=C/c1ccccc1)C(=O)C1CCCCn2nnnc12	PC-id_74235813,EMOLS-id_49650584	339.435	KJADASDHOGTYRF-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067644
CCCN(C/C=C/c1ccccc1)C(=O)[C@H]1CCCCn2nnnc12	PC-id_97894452,ZINC22_97475541	339.435	KJADASDHOGTYRF-YRYLYKBFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067645
CCCN(C/C=C/c1ccccc1)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_97475540,PC-id_97894451	339.435	KJADASDHOGTYRF-VGMNTSGFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067646
C=CCN(C(=O)NCc1nnc2n1CCCCC2)Cc1ccccc1	PC-id_87000134	339.435	RJCNCOXRNSEJCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067647
CCOCc1nnc2CC(C)N(Cc3cccc4[nH]ccc34)CCn12	EMOLS-id_313826854	339.435	FWJUPKYYTLYILF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067648
CCOCc1nnc2n1CCN(Cc1cccc3[nH]ccc13)[C@@H](C)C2	ZINC22_585097113	339.435	FWJUPKYYTLYILF-AWEZNQCLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067649
CCOCc1nnc2n1CCN(Cc1cccc3[nH]ccc13)[C@H](C)C2	ZINC22_585097116	339.435	FWJUPKYYTLYILF-CQSZACIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067650
CN1CCC(C1=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_317998695,MCULE-8369867279	339.435	DHBBIEWSZXUTJQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067651
Cn1ncc2c1CCCN(C(=O)NCC1(c3ccccn3)CCC1)C2	EMOLS-id_101698097,MCULE-3391292419,ZINC22_334125216	339.435	ORAKXOXDEDDOKG-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-067652
CN(Cc1cccnc1)C[C@H]1CN(C(=O)C2CC2)Cc2nccn2C1	PC-id_97463129,ZINC22_96188696	339.435	CBTZHGUBKNNAMS-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-067653
CN(Cc1cccnc1)C[C@@H]1CN(C(=O)C2CC2)Cc2nccn2C1	ZINC22_96188697,PC-id_97463130	339.435	CBTZHGUBKNNAMS-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-067654
CN(CC1CN(Cc2nccn2C1)C(=O)C1CC1)Cc1cccnc1	PC-id_118746680,EMOLS-id_44326539	339.435	CBTZHGUBKNNAMS-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-067655
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(C#N)cc1)C2	PC-id_100062670,ZINC22_220656696	339.435	WTBDMSARIBIBIU-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067656
CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(C#N)cc1)C2	ZINC22_220656763,PC-id_100062672	339.435	WTBDMSARIBIBIU-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-067657
CN(C)CC(O)c1cc2CN(Cc3ccc(cc3)C#N)CCCn2n1	PC-id_90650794,MCULE-6052532167,EMOLS-id_50538545	339.435	WTBDMSARIBIBIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067658
CN(C(=O)C1(CC1)Nc1ccccc1)Cc1nnc2n1CCCCC2	EMOLS-id_316675623	339.435	KGQCVCBIGVVNAK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067659
CN(C(=O)CN1CCc2c1cccc2)Cc1nnc2n1CCCCC2	EMOLS-id_318109541	339.435	YKTPBOBVLLKQSY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067660
n12CCCNCc1cc(CCC(=O)N1CCCC1c1cccnc1)n2	PC-id_70765126,EMOLS-id_43153431,MCULE-4336685938	339.435	ZPCTUGKDXZVYQI-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-067661
n12CCN(CCc1nnc2Cc1ccccc1)C(=O)[C@H]1CC[C@@H](N)C1	PC-id_56906259,MCULE-7013221103,EMOLS-id_43148472,ZINC22_72458205	339.435	QRXVFLPWSNFTBI-JKSUJKDBSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067662
n12CCN(CCc1nnc2CNC(=O)c1ccccc1)CC(=CC)C	MCULE-1619702151,PC-id_74844163	339.435	JOYQRDCFZDQVDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067663
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)C1(CCC1)N	EMOLS-id_337820930,ZINC22_2356139464,MCULE-9483289858	339.435	YJZDBBUYSKBLFY-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-067664
n1c(CN2CCCC(C2)C(=O)c2cccnc2)cc2CNCCCn12	EMOLS-id_43125687,PC-id_56898784,MCULE-9986242831	339.435	GJXBPUHALURRBB-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-067665
N#CCCCOc1cccc(c1)CNCc1nnc2n1CCCCC2	EMOLS-id_51632235,MCULE-6250672348,PC-id_119108816	339.435	JHNSYIDGXDVZEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067666
N[C@H]1CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3)C1	PC-id_95189122,ZINC22_67458397	339.435	ZPWFCTDFNNSORO-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067667
N[C@@H]1CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3)C1	ZINC22_67458399,PC-id_95189123	339.435	ZPWFCTDFNNSORO-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067668
NC(=O)c1cccc(c1)CN(C1CC1)Cc1nnc2n1CCCCC2	EMOLS-id_318082555	339.435	FQHYRNKSRSGUQP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067669
NC(=O)c1ccc(cc1)CN(C1CC1)Cc1nnc2n1CCCCC2	EMOLS-id_318149171	339.435	YHDSKTLOFZNZIL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067670
O=C(C1CCC(CC1)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102158302	339.435	YBCUVNHJSGBSIF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067671
O=C(c1ccc(cc1)C1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102168229	339.435	QQUHTJCMGLBGIV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067672
O=C(c1ccccc1)N1CCCn2c(CN3CCCCC3)nnc2C1	ZINC22_96259677,PC-id_97519759,EMOLS-id_44370898	339.435	FVPYZPUCSPCZLE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-067673
O=C(c1ccccc1)N1CCCn2nnc(CN3CCCCC3)c2C1	PC-id_97519649,ZINC22_96259567,EMOLS-id_44370682	339.435	GEOUKXOABKPJFU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-067674
O=C(c1ccccc1)N1CCN(Cc2nnc3n2CCCCC3)CC1	MCULE-2383680165,PC-id_45802686,EMOLS-id_31867898,ZINC22_40481312,CoCoCo_4492002	339.435	BSCFTHKFTGDHGM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-067675
O=C(c1ccc(cc1)NCc1nnc2n1CCCCC2)N1CCCC1	EMOLS-id_318181610,MCULE-3330664859	339.435	VLQGVVXQIFVBHI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067676
O=C(c1ccccc1NCc1nnc2n1CCCCC2)N1CCCC1	MCULE-5905317464,EMOLS-id_318049848	339.435	CTEHRECMBVTEAL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067677
O=C(C1CCCN1c1ccccc1)NCc1nnc2n1CCCCC2	EMOLS-id_100591057	339.435	ZTLSRLTUJZMIJB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-067678
O=C(c1ccc(N2CCCCCC2)cc1)N1CCCn2nncc2C1	MCULE-6455517590,ZINC22_829601351,EMOLS-id_316971188	339.435	JGVXBCAKZYTWRF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067679
O=C(c1cccnc1)[C@@H]1CCCN(Cc2cc3n(n2)CCCNC3)C1	PC-id_95724088,ZINC22_72162161	339.435	GJXBPUHALURRBB-MRXNPFEDSA-N	00000000100010101101000000000010000000000000000000000000	31-01-067680
O=C(c1cccnc1)[C@H]1CCCN(Cc2cc3n(n2)CCCNC3)C1	PC-id_95724089,ZINC22_72162162	339.435	GJXBPUHALURRBB-INIZCTEOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-067681
O=C(c1cccnc1N1CCCCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101846443	339.435	WVQQTGDUPLMHCM-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-067682
O=C(C1CCn2c(CC1)nnc2)N1CCCC(C1)Nc1ccccc1	EMOLS-id_319392095	339.435	UXJREZSVYINUGK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-067683
O=C(C1CCn2c(CC1)nnc2)N1CCCC(CC1)c1ccncc1	EMOLS-id_318853579	339.435	HPDBBRCWUAJRAA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067684
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)NC1CCCC1	EMOLS-id_319730452	339.435	MUAYRKYUHRHZAB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067685
O=C(c1cnc2n1CCCCC2)N1CCC(CC1)Nc1ccccn1	MCULE-8939885583,EMOLS-id_318685738	339.435	HVHVFEYXPCBLGM-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-067686
O=C(c1ncccc1NCC1CCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_319357798	339.435	FRXOTFXVQVAQHU-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-067687
O=C(CC1CC1)NCc1cnc2CCN(Cc3ccccn3)CCn12	ZINC22_96197044,PC-id_97467188,EMOLS-id_44329017	339.435	LMTOEMCIJKTATC-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-067688
O=C(CCc1cc2n(n1)CCCNC2)N1CCC[C@H]1c1cccnc1	PC-id_95889400,ZINC22_72463817	339.435	ZPCTUGKDXZVYQI-SFHVURJKSA-N	00000010100000101101100000000010000000000000000000000000	31-01-067689
O=C(CCc1cc2n(n1)CCCNC2)N1CCC[C@@H]1c1cccnc1	PC-id_95889401,ZINC22_72463818	339.435	ZPCTUGKDXZVYQI-GOSISDBHSA-N	00000010100000101101100000000010000000000000000000000000	31-01-067690
O=C([C@@H]1CCCC[C@@H]1c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102175493	339.435	SUTGFOVZHMVNQM-YJEKIOLLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067691
O=C([C@H]1CCCN1Cc1nnc2n1CCCCC2)Nc1ccccc1	EMOLS-id_319006850	339.435	DDIXAVFOWJBPCT-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067692
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1N1CCCC1	EMOLS-id_101963325	339.435	BGNFLONEENYLGD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-067693
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)N1CCCC1	EMOLS-id_101965320	339.435	WUGPTRNTZHJPQL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-067694
O=C(N1CCC[C@@H]1CCc1ccccn1)C1CCn2c(CC1)nnc2	EMOLS-id_318910039	339.435	QBNTXSLWWGRWRW-OMOCHNIRSA-N	00000010100000101101000000000010000000000000000000000000	31-01-067695
O=C(N1CCCn2c(C1)cc(n2)N)NCC1(CC1)c1ccccc1C	MCULE-7554236433,EMOLS-id_319999836	339.435	ALIMPHBGAOJKAG-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-067696
O=C(N1CCCn2c(C1)cc(n2)N)NCC1(CCC1)c1ccccc1	EMOLS-id_319329944	339.435	HJHHCTQMMVNJRC-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-067697
O=C(N1CCCn2c(C1)cc(n2)N)NC(c1ccccc1)C1CCC1	EMOLS-id_319952910,MCULE-9845547724	339.435	LQLHXUCSUPLYCE-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-067698
O=C(N1CCCn2c(C1)cc(n2)N)NCC(c1ccccc1)C1CC1	EMOLS-id_318801293	339.435	PGRNZYCMUSNRCT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-067699
O=C(N1CCn2c(nnc2Cc2ccccc2)CC1)C1CC(N)CC1	PC-id_76437654	339.435	QRXVFLPWSNFTBI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067700
O=C(N1CCNC(C1)c1ccccc1C)C1CCn2c(CC1)nnc2	MCULE-4024453047,EMOLS-id_320223355	339.435	SUBKYUDBDGBAGF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067701
O=C(N(C1Cc2c(C1)cccc2)CCC)C1CCCCn2nnnc12	PC-id_74248580	339.435	PHZLYMYPKPFIPL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067702
O=C(Nc1ccccc1)N1CCCn2cnc(CN3CCCC3)c2C1	ZINC22_96259320,PC-id_97519404,EMOLS-id_44370186	339.435	MBPRVWVFLWJCLM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067703
O=C(NCC1C(C1)c1ccccc1)NCc1n2CCCCCc2nn1	PC-id_72018642,EMOLS-id_49009902,MCULE-3748086819	339.435	PJJHRQPRWIXMOV-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-067704
O=C(NCc1n2CCN(CCc2nn1)C/C(=C/c1ccccc1)/C)C	PC-id_56856157	339.435	LQJNKLNBLYYAHF-NTCAYCPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067705
O=C(NCc1n2CCN(CCc2nn1)CC(=Cc1ccccc1)C)C	PC-id_76430744	339.435	LQJNKLNBLYYAHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067706
O=C(NCc1nnc2n1CCCCC2)NC[C@H]1C[C@H]1c1ccccc1	PC-id_97558984,ZINC22_96405550	339.435	PJJHRQPRWIXMOV-CVEARBPZSA-N	00100000100000110101100000000010000000000000000000000000	31-01-067707
O=C(NCc1nnc2n1CCCCC2)NC[C@H]1C[C@@H]1c1ccccc1	PC-id_97558985,ZINC22_96405551	339.435	PJJHRQPRWIXMOV-HZPDHXFCSA-N	00100000100000110101100000000010000000000000000000000000	31-01-067708
O=C(NCc1nnc2n1CCCCC2)NC[C@@H]1C[C@@H]1c1ccccc1	PC-id_97558987,ZINC22_96405553	339.435	PJJHRQPRWIXMOV-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-067709
O=C(NCc1nnc2n1CCCCC2)NC[C@@H]1C[C@H]1c1ccccc1	ZINC22_96405552,PC-id_97558986	339.435	PJJHRQPRWIXMOV-HOTGVXAUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-067710
O=C(N[C@@H]1CCNC1)c1cc2n(n1)CCCN(Cc1ccccc1)C2	PC-id_95221687,ZINC22_67885486	339.435	LUEKDGIMCLPVRV-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067711
O=C(N[C@H]1CCNC1)c1cc2n(n1)CCCN(Cc1ccccc1)C2	ZINC22_67885488,PC-id_95221688	339.435	LUEKDGIMCLPVRV-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-067712
C1CCCc2c(CC1)nc(s2)NC(=O)CSc1n[nH]c(=O)[nH]1	EMOLS-id_100447020,PC-id_137212704	339.436	XVPNWDSZCQORRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067713
c12cnn(C)c1nc(CC)nc2N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_72169453,MCULE-3334976446,PC-id_56915126,EMOLS-id_43174550	339.438	SOTKJYQRHDEREX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067714
CCOC(=O)c1c(NC(=O)OC(C)(C)C)sc2c1CCCCC2	SCHEMBL12057605,PC-id_57971080	339.45	LCYLUOULIWCBOQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067715
COCC(NC(=O)c1sc2c(c1)CCCCCC2)(CC(=O)O)C	PC-id_120215102	339.45	PAJDQENSLAWYNS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067716
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(COC)C	PC-id_45655410	339.45	ZKPAYCUOGBZWQJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067717
s1c2CCCCCCc2cc1C(=O)OC(C(=O)NCCOC)C	PC-id_84878980	339.45	GWSWGBMUKPQMLC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067718
s1c2CCCCCCc2cc1C(=O)O[C@H](C(=O)NCCOC)C	PC-id_8943184	339.45	GWSWGBMUKPQMLC-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067719
s1c2CCCCCCc2cc1C(=O)O[C@@H](C(=O)NCCOC)C	PC-id_8943189	339.45	GWSWGBMUKPQMLC-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067720
c1(NC(=O)CCC(=O)N(CC)CCO)sc2c(CCCCC2)n1	MCULE-7918892751,EMOLS-id_334752413	339.453	QBBMZLCVMGDISG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067721
c1(NC(=O)CCC(=O)NCCCOC)sc2c(CCCCC2)n1	MCULE-8976481877,EMOLS-id_334935007	339.453	DNAKOSCYQMWMFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067722
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CC1CCC(O1)C1CC1	EMOLS-id_319993582,MCULE-2918372057	339.453	IKTZOIAKWLEWEB-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-067723
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCS(=O)(=O)C1CCCC1	EMOLS-id_320057805,MCULE-9013240802	339.453	WARYHUSBQPIRRA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-067724
CC(C1OCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2)O	EMOLS-id_101851255	339.453	XRIKDAJETKOSEC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067725
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)N1CCCCCC1	PC-id_53182961,MCULE-1536439110,EMOLS-id_33087484	339.453	PMSQCXCEPFLNAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067726
CCO[C@@H]1COC[C@H]1NC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101430720	339.453	RWGNWHDLECVZSJ-CHWSQXEVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-067727
COCC1OCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_316791025,MCULE-7858903361	339.453	VICVQMMXZZLGEP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067728
COC[C@@H]1CN(C(=O)Nc2nc3c(s2)CCCCCC3)CCO1	ZINC22_194513496	339.453	VICVQMMXZZLGEP-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067729
COC[C@H]1CN(C(=O)Nc2nc3c(s2)CCCCCC3)CCO1	ZINC22_194513510	339.453	VICVQMMXZZLGEP-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067730
COCCOC1CN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101100983	339.453	RMXPMTFSHAAKES-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-067731
CO[C@@H]1CN(C[C@@H]1OC)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101100938	339.453	PPRLNWZNHCEPQG-BETUJISGSA-N	00000010100000000101000000000010000000000000000000000000	31-01-067732
OCC1CN(CCC1O)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101851213	339.453	ZWEYGUUMIJITAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067733
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)CC1CCCCC1	EMOLS-id_112057025	339.453	LDXCWNHYEZWXEO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067734
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)CCC1CCCC1	EMOLS-id_112089839	339.453	RCYZTLGJQWHFBO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-067735
OCC1OC(C)CN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098643	339.453	VWGFIIVHYINIPD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067736
O=C(Nc1sc2c(n1)CCCCCC2)NC1CC[C@H]([C@H](C1)O)O	EMOLS-id_319105989	339.453	AIPDRHBZNZZZLC-SOYIIFOFSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067737
O=C(Nc1sc2c(n1)CCCCCC2)NCC1(O)CCOC1C	EMOLS-id_101098667	339.453	CPDSVBRDYOVMTD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-067738
O=C(Nc1sc2c(n1)CCCCCC2)NCC1(O)CCOCC1	EMOLS-id_111889868	339.453	RUWKJRHQWBOUBK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067739
O=S(=O)(C1CC1)N1Cc2ccnn2C[C@@H](OCC2CCCC2)C1	ZINC22_247342090	339.453	SOHYFPFIIKCLJU-HNNXBMFYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-067740
O=S(=O)(C1CC1)N1Cc2ccnn2C[C@H](OCC2CCCC2)C1	ZINC22_247342099	339.453	SOHYFPFIIKCLJU-OAHLLOKOSA-N	00100010100000000101000000000010000000000000000000000000	31-01-067741
O=S(=O)(C1CC1)N1CC(Cn2nccc2C1)OCC1CCCC1	EMOLS-id_50015914	339.453	SOHYFPFIIKCLJU-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-067742
s1c2CCCCCc2nc1NC(=O)CN(C(=O)OC(C)(C)C)C	PC-id_56521744	339.453	YXTVQZMTLCQKJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067743
C=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C=PN(C(C)(C)C)C	PC-id_143208864	339.454	YUHBLNKCLJCSSS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067744
c1cc2n(c1)C[C@@H](OCc1ccncc1)CN(Cc1ccsc1)C2	ZINC22_247958917	339.455	NOLSKKTZMDZKBJ-IBGZPJMESA-N	00000000100100101101000000000010000000000000000000000000	31-01-067745
c1cc2n(c1)C[C@H](OCc1ccncc1)CN(Cc1ccsc1)C2	ZINC22_247958920	339.455	NOLSKKTZMDZKBJ-LJQANCHMSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067746
c1ccc(CO[C@@H]2CN(Cc3cccs3)Cc3cccn3C2)nc1	ZINC22_253588765	339.455	RTOCOCXZDMZFIE-GOSISDBHSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067747
c1ccc(CO[C@H]2CN(Cc3cccs3)Cc3cccn3C2)nc1	ZINC22_253588766	339.455	RTOCOCXZDMZFIE-SFHVURJKSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067748
c1ccc(CO[C@H]2CN(Cc3ccsc3)Cc3cccn3C2)nc1	ZINC22_247952527	339.455	KVQAJUTXGJBEDN-IBGZPJMESA-N	00000000100100101101000000000010000000000000000000000000	31-01-067749
c1ccc(CO[C@@H]2CN(Cc3ccsc3)Cc3cccn3C2)nc1	ZINC22_247952530	339.455	KVQAJUTXGJBEDN-LJQANCHMSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067750
c1cncc(CO[C@@H]2CN(Cc3cccs3)Cc3cccn3C2)c1	ZINC22_253588937	339.455	ZUVQODQCDPGDIK-GOSISDBHSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067751
c1cncc(CO[C@H]2CN(Cc3cccs3)Cc3cccn3C2)c1	ZINC22_253588938	339.455	ZUVQODQCDPGDIK-SFHVURJKSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067752
c1csc(CN2Cc3cccn3C[C@H](OCc3ccncc3)C2)c1	ZINC22_253588451	339.455	DCAFJNAFDGPXDC-GOSISDBHSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067753
c1csc(CN2Cc3cccn3C[C@@H](OCc3ccncc3)C2)c1	ZINC22_253588452	339.455	DCAFJNAFDGPXDC-SFHVURJKSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067754
c1(NC(=O)Cc2c3ccccc3n(C)c2)sc2c(CCCCC2)n1	PC-id_56167514,EMOLS-id_323363426,MCULE-6557968615	339.455	WYRLIQWWOVIPSS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067755
c1(NC(=O)CCc2c3ccccc3[nH]c2)sc2c(CCCCC2)n1	MCULE-6673745391,PC-id_46696582,EMOLS-id_323383897	339.455	XJYUIXFFPYEZHY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067756
c1(NC(=O)CCn2c3ccccc3cc2)sc2c(CCCCC2)n1	EMOLS-id_323301481,MCULE-4854923025	339.455	GTGPVVZGEZDNCS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067757
c1(NC(=O)Cn2ccc3cc(C)ccc23)sc2c(CCCCC2)n1	MCULE-7760611002,EMOLS-id_323329375	339.455	SFMBSTVYHVEBJY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067758
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc2c(c(C)c([nH]2)C)c1	MCULE-9729642548,EMOLS-id_323293578	339.455	DWWFMHFHRWYAII-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067759
Cc1sc2c(n1)CCCCN2C(=O)Cc1c[nH]c2c1ccc(c2)C	EMOLS-id_318818774	339.455	AIVOQQDBHWTVQS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067760
C[C@@H](Nc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4223438,PC-id_25359793,ZINC22_12562419	339.455	KSRVDYKCTJMRIV-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067761
C[C@H](Nc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_12562421,PC-id_25359795,CoCoCo_4223439	339.455	KSRVDYKCTJMRIV-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067762
Cn1c(CNC(=O)c2cc3c(s2)CCCCC3)nc2ccccc12	ZINC22_8135640,CoCoCo_4091256,MCULE-6861348615,PC-id_16325824,EMOLS-id_13415001	339.455	ZQCSWCRRSUCHDM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067763
CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1	ZINC22_6911061,PC-id_4818354,EMOLS-id_15286570,CoCoCo_3565899,MCULE-6911385708	339.455	WQRLGSBSYOJPPG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067764
C(OC1CN(Cc2cccs2)Cc2cccn2C1)c1ccccn1	EMOLS-id_50011594	339.455	RTOCOCXZDMZFIE-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067765
C(OC1CN(Cc2cccs2)Cc2cccn2C1)c1cccnc1	EMOLS-id_50008606	339.455	ZUVQODQCDPGDIK-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067766
C(OC1CN(Cc2cccs2)Cc2cccn2C1)c1ccncc1	EMOLS-id_50008530	339.455	DCAFJNAFDGPXDC-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067767
C(OC1CN(Cc2ccsc2)Cc2cccn2C1)c1ccccn1	EMOLS-id_50008598	339.455	KVQAJUTXGJBEDN-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067768
C(OC1CN(Cc2ccsc2)Cc2cccn2C1)c1ccncc1	EMOLS-id_50011720	339.455	NOLSKKTZMDZKBJ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067769
N#Cc1ccc(cc1)CC(C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_319521072	339.455	LDHOQXTUAMLBRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067770
N#Cc1c(NC(=O)C(Nc2ccccc2)C)sc2c1CCCCC2	EMOLS-id_16712591,PC-id_17512440,MCULE-3948886892	339.455	KSRVDYKCTJMRIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067771
N#CC(c1ccc(cc1)C(=O)N1CCCCc2c1sc(n2)C)(C)C	EMOLS-id_318865775	339.455	QQTNFZQZZXIWFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067772
N#CC(C(=O)N1CCCCc2c1sc(n2)C)CCc1ccccc1	EMOLS-id_319135946	339.455	RYTJNYLRQFBBEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067773
O=C(N1CCCCc2c1sc(n2)C)Cc1c[nH]c2c1c(C)ccc2	EMOLS-id_319627211	339.455	GSPKASMQODDNOX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067774
O=C(N1CCCCc2c1sc(n2)C)CCc1ccc2c(c1)cc[nH]2	EMOLS-id_318815204	339.455	AEQYGMYJQNZDFZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067775
O=C(N1CCCCc2c1sc(n2)C)CCc1c[nH]c2c1cccc2	EMOLS-id_318863359	339.455	WALXGGMYULGVOM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067776
O=C(NCCc1cn2ccccc2n1)c1cc2c(s1)CCCCC2	PC-id_41463549,MCULE-9173799584,ZINC22_10355942,EMOLS-id_36627136	339.455	YFBOUTLEQLKTLL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067777
s1c2CCCCCc2nc1NC(=O)Cn1c2c(cc1C)cccc2	PC-id_16606448	339.455	ILYMCRVXDNHWMX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-067778
s1c2CCCCCCc2cc1C(=O)NCc1nc2n(c1)cccc2	PC-id_9184886	339.455	LHXXBSJLYYRBJU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067779
s1c2CCCCCCc2cc1C(=O)NCc1[nH]c2c(n1)cccc2	PC-id_60376597	339.455	YFRBXERNGBLTQA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067780
[C@H]1(CN2CCCn3nc(CNS(=O)(=O)C)cc3C2)[C@H]2[C@@H]1CNC2	ZINC22_102665630,MCULE-3449644484,EMOLS-id_44442735	339.456	RWFJQGHNBMOQJP-FICVDOATSA-N	00100010100000000101010000000010000000000000000000000000	31-01-067781
O=S(=O)(C1CC1)N1CCCn2c(C1)nnc2CNC1CCCC1	PC-id_97405591	339.456	ALBXQNSSUQQSHT-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-067782
O=S(=O)(C1CC1)N1CCCn2nnc(CN3CCCCC3)c2C1	ZINC22_96084743,PC-id_97405566,EMOLS-id_46182513	339.456	DOFFJCAIRUJQMH-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-067783
S(c1n2CCCCCc2nn1)CC(=O)NC(C(=O)NCCC)C	PC-id_78679763	339.456	OKWPBLSGFMYSDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067784
S(c1n2CCCCCc2nn1)CC(=O)N(CC(=O)NCC)CC	PC-id_8379330	339.456	CDMKKELUCGMOOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067785
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](C(=O)NCCC)C	PC-id_8379489	339.456	OKWPBLSGFMYSDA-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067786
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](C(=O)NCCC)C	PC-id_8379492	339.456	OKWPBLSGFMYSDA-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-067787
S(c1n2CCCCCc2nn1)CC(=O)NC(=O)NCCC(C)C	PC-id_7877075	339.456	XGJXSSSJWLVJMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067788
S(=O)(=O)(NCc1nn2c(CN(CC3C4C3CNC4)CCC2)c1)C	PC-id_78083340	339.456	RWFJQGHNBMOQJP-UHFFFAOYSA-N	00100010100000000101010000000010000000000000000000000000	31-01-067789
S(=O)(=O)(NCc1nn2c(CN(CC3[C@H]4[C@@H]3CNC4)CCC2)c1)C	PC-id_70759643	339.456	RWFJQGHNBMOQJP-YIONKMFJSA-N	00100010100000000101010000000010000000000000000000000000	31-01-067790
c1ccc(c2nc(CNCc3nnc4n3CCCCC4)cs2)cc1	PC-id_45846444,MCULE-8474250545,ZINC22_39979610	339.458	JUASOXCIOFERIH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067791
c1ccc(cc1)C(c1ncsc1)NCc1nnc2n1CCCCC2	EMOLS-id_319762059	339.458	AIVPGJPPIGGOOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067792
c1ccc(NCc2cnc3n2CCN(Cc2cccs2)CC3)nc1	EMOLS-id_44329127,PC-id_97467246,ZINC22_96197103	339.458	QWZIBFAFNIEOCY-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067793
c1ccc(NCc2cnc3n2CCN(Cc2ccsc2)CC3)nc1	EMOLS-id_46161915,PC-id_97390243,ZINC22_96067937	339.458	UCOREIBVHVKDES-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067794
c1ccc(NC[C@H]2CN(Cc3cccs3)Cc3ccnn3C2)nc1	ZINC22_253588813	339.458	UANJHQDFWZZSGJ-HNNXBMFYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067795
c1ccc(NC[C@@H]2CN(Cc3cccs3)Cc3ccnn3C2)nc1	ZINC22_253588814	339.458	UANJHQDFWZZSGJ-OAHLLOKOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067796
c1ccc(NC[C@H]2CN(Cc3ccsc3)Cc3ccnn3C2)nc1	ZINC22_247926753	339.458	BAMCECNJBXIIJO-INIZCTEOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067797
c1ccc(NC[C@@H]2CN(Cc3ccsc3)Cc3ccnn3C2)nc1	ZINC22_247926755	339.458	BAMCECNJBXIIJO-MRXNPFEDSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067798
c1nc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)cs1	MCULE-7692052845,PC-id_121532398,ZINC22_185387550,EMOLS-id_73038177	339.458	CCAFRGDBCVILAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067799
c1nscc1CNc1ccc(Cc2nnc3n2CCCCC3)cc1	ZINC22_1620893073,PC-id_146145173	339.458	BCENSIYZRLWULY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067800
C(Nc1ccccn1)C1CN(Cc2cccs2)Cc2ccnn2C1	EMOLS-id_50371447	339.458	UANJHQDFWZZSGJ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067801
C(Nc1ccccn1)C1CN(Cc2ccsc2)Cc2ccnn2C1	EMOLS-id_50375591	339.458	BAMCECNJBXIIJO-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-067802
Nc1nc2c(s1)CCN(CC2)CC=Cc1ccc2c(c1)nc([nH]2)C	SCHEMBL7291182,PC-id_54437676,SCHEMBL7291175	339.458	WLWCZRTUBWVBBX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067803
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc2c1nc([nH]2)C	PC-id_19985983,SCHEMBL7286284	339.458	JUMQRKNUXAJCNS-HWKANZROSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067804
Nc1nc2c(s1)CCN(CC2)CC=Cc1cccc2c1[nH]c(n2)C	SCHEMBL7286298,PC-id_53975325	339.458	JUMQRKNUXAJCNS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067805
s1c2CCN(CCc2nc1N)C/C=C/c1cc2[nH]c(nc2cc1)C	PC-id_19985782	339.458	WLWCZRTUBWVBBX-NSCUHMNNSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067806
O=C(NC1CCn2c(CC1)nnn2)NCC1(CCSC1)N(C)C	EMOLS-id_102182712	339.46	HDWSKPRTVWVUBX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-067807
CCCCC(Cn1c(C)c2c(c1C)OCC(CO2)(CO)CO)CC	SCHEMBL13410147,PC-id_59273701	339.47	SUQZDMVEWBUBMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067808
CCOC(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C=CC(N)(C)C	SCHEMBL7700511,PC-id_70167247	339.471	WGVNHGPHHDSKFV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067809
CCOC(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C=NC(C)(C)C	SCHEMBL5711169	339.471	SMEQFYMGMBZYOQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067810
O(C(=O)c1c2-c(c(c1)/C=N/C(C)(C)C)cc(C(C)C)ccc2C)CC	PC-id_69539745	339.471	SMEQFYMGMBZYOQ-YDZHTSKRSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067811
O=C(c1cc2c(s1)CCCCC2)NC1(CCSCC1)C(=O)O	EMOLS-id_57267324,PC-id_120208843,MCULE-2869858589	339.473	IONJKVYIDDSZFW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-067812
O=C(c1sc2c(c1)CCCCCC2)NC1(CCSC1)C(=O)O	PC-id_120210074	339.473	QIKVJWIZYIKEPI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-067813
O=C(N1[C@@H]2CC[C@@H](C2)CS1(=O)=O)c1cc2c(s1)CCCCC2	EMOLS-id_319114042	339.473	GFGHILAYLBZKDJ-WCQYABFASA-N	00000010100010000101000000000110000000000000000000000000	31-01-067814
OC(=O)CC1CSCCN1C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_51919400,MCULE-8862663784,PC-id_119210478	339.473	CFJXQPCBMDADNS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067815
s1c2c(CCCCC2)cc1C(=O)N1C[C@H](SCC1)C(=O)OC	PC-id_9272431	339.473	NNAMZULWJMEAFR-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067816
s1c2c(CCCCC2)cc1C(=O)N1C[C@@H](SCC1)C(=O)OC	PC-id_9272432	339.473	NNAMZULWJMEAFR-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067817
s1c2c(CCCCC2)cc1C(=O)N1CC(SCC1)C(=O)OC	PC-id_84968120	339.473	NNAMZULWJMEAFR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067818
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+]C(C)C)C(=O)OCC	PC-id_7047476	339.473	IELBRIFXKKKFKD-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-067819
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccc(cc1)C(C)(C)C	EMOLS-id_319253188	339.474	TXUIBHDHBPKAKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067820
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(c1ccc(cc1)C(C)C)C	EMOLS-id_320172235,MCULE-3824167375	339.474	ASSJYPKASYCOCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067821
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(CCCc1ccccc1)(C)C	EMOLS-id_319884684,MCULE-7149007521	339.474	OARUMKOKSQWAPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067822
CC(Cc1ccc(cc1)CCC(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	MCULE-3960138349,EMOLS-id_320256267	339.474	ZDXNDMJIEFCPQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067823
c1(cc(sc1C)C)S(=O)(=O)NCc1c2CCCCCc2[nH]n1	ZINC22_670436803,EMOLS-id_222753524,MCULE-2224341439	339.476	IFNAZGBIJYMCGM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067824
CC1SCCN(C1)C(=O)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111811087	339.476	LBROSCXFFARLHO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067825
CC(C)C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_20166098,ZINC22_6826648	339.476	VQERNOBUPPZCQB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067826
CCCC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_6851138,PC-id_21234846	339.476	LDUFSVRIVTWEGM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067827
O=C(C(=O)Nc1nc2c(s1)CCCCC2)N1CCCSCC1	EMOLS-id_111809563	339.476	AWBGLNSYIFWCPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067828
O=C(N(C1CSCC1)C)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111812699	339.476	WRMPBTFYJSCGSK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-067829
c1ccc(nc1)CC1CCCC1NCCc1nnc2n1CCCCC2	EMOLS-id_279081573	339.478	UTAMLGRGVHYYMI-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-067830
Cc1ccccc1CN1CCN(Cc2nnc3n2CCCCC3)CC1	MCULE-6112590728,PC-id_51075936,EMOLS-id_31877346,ZINC22_42596745	339.478	IVEQGPFNOZNFCE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-067831
Cc1ccccc1N1CCCN(Cc2cc3CNCCCn3n2)CC1	PC-id_56919063,MCULE-4685977308,ZINC22_72174330,EMOLS-id_43184845	339.478	ULHSWMMTWQIKHT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067832
Cc1cccc(c1)NC1CCN(CC1)Cc1nnc2n1CCCCC2	MCULE-9621023898,EMOLS-id_318295279	339.478	XMEZAJOEFNQAPF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-067833
Cc1cccc(CN2CCc3ncc(CN4CCCCC4)n3CC2)n1	PC-id_97467032,EMOLS-id_44328709,ZINC22_96196888	339.478	TUCKUGJVENOWPT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-067834
Cc1cccc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)c1	EMOLS-id_31877356,MCULE-5192566414,PC-id_51075940,ZINC22_42596824	339.478	JJFCCYBUDZLGQB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-067835
Cc1ccc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	MCULE-4866811423,PC-id_51075935,EMOLS-id_31877344,ZINC22_42596671	339.478	IDIHUKPMAKOJAU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-067836
Cc1cccnc1C1CCCC(C1)NCc1nnc2n1CCCCC2	MCULE-3596864318,EMOLS-id_318191511	339.478	DZKXJQUBMHIYGR-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-067837
CCc1ccc(cc1)C1CNCCN1Cc1nnc2n1CCCCC2	MCULE-7958886930,EMOLS-id_318351574	339.478	ISDSBOVPHNNZLK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-067838
CN1CCC(CC1)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_318062723,MCULE-2993238591	339.478	JDMDXHOSKLDKGN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-067839
CNCCN(C(=NC)C=CCC(=C)c1nc2c([nH]1)C=CCC=C2)CC	PC-id_144379612	339.478	RYVZZEOFPZGDGM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-067840
C/C=C(/c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_143781116	339.494	KZEODPRKFBAPPW-LNKIKWGQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067841
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)C1CCCCC1	SCHEMBL5115345,PC-id_9902489	339.494	HNQIIBZAKNZDMF-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-067842
s1c(C(=O)NCC2(CCC2)c2ccccc2)cc2CCCCCc12	PC-id_18208028	339.494	APYBKCOXLGHQIO-UHFFFAOYSA-N	00001000100000110100100000000010000000000000000000000000	31-01-067843
CC1CC(C1)(C)CS(=O)(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319405356	339.496	MHLYOZOGCHGTEZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-067844
CC1CC(CCS(=O)(=O)c2nnc3n2CCCCC3)CC(C1)C	EMOLS-id_111216173	339.496	WJKDMMVWYSNHCZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-067845
C[C@@H]1CCC[C@H]1CS(=O)(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319387449	339.496	SOMOFAXMYMVGNC-KGLIPLIRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-067846
CCS(=O)(=O)NCCC1CN(CC2CCC2)Cc2cccn2C1	EMOLS-id_313837602	339.496	PGHIQQYMUDPVDG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-067847
CCS(=O)(=O)NCC[C@H]1CN(CC2CCC2)Cc2cccn2C1	ZINC22_585095315	339.496	PGHIQQYMUDPVDG-INIZCTEOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-067848
CCS(=O)(=O)NCC[C@@H]1CN(CC2CCC2)Cc2cccn2C1	ZINC22_585095316	339.496	PGHIQQYMUDPVDG-MRXNPFEDSA-N	00001000100000000101000000000010000000000000000000000000	31-01-067849
s1c2CCCCCCCCCCc2nc1NC(=O)CNCCO	PC-id_30376664	339.496	ZHHDMQNHJKPTDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067850
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)CCC(C)SC	EMOLS-id_44451169,MCULE-7027627495,PC-id_70783927	339.499	NBZHMWOYBFUFSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067851
CCCNC(=O)CN(CCC)Cn1nc2n(c1=S)CCCCC2	PC-id_53518493,EMOLS-id_35727452,ZINC22_54567893,MCULE-4613418863	339.499	OWWICKMVUOHRJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067852
CSCCCN1CCc2nnc(CCNC(=O)C(C)C)n2CC1	CoCoCo_1289792,CoCoCo_1289791,ZINC22_11997264,PC-id_42342116,EMOLS-id_232729319,MCULE-2929842313	339.499	AOUIKGKDCXNSLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067853
CS[C@@H](C)CCN1CCCn2nc(CNC(=O)N(C)C)cc2C1	ZINC22_82161392,PC-id_96581268	339.499	NBZHMWOYBFUFSD-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067854
CS[C@H](C)CCN1CCCn2nc(CNC(=O)N(C)C)cc2C1	ZINC22_85533953,PC-id_97042101	339.499	NBZHMWOYBFUFSD-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067855
s1c2CCCCCc2cc1C(=O)Nc1sc(SCC)nn1	PC-id_7920107	339.499	RFXIJAPJDHNQJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067856
O=C(NCCCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)CCCC	PC-id_85664772	339.514	OPKDEMMWAKIKLW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067857
COCCN(C(=O)c1cc2c(s1)CCCCC2)CCC[NH+](C)C	GD-id_ZINC42719840	339.516	AAOVQCKTSJLTMT-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-067858
s1c2CCCCCc2cc1C(=O)NNC(=S)NCCC(C)C	PC-id_9149853	339.519	WJHGRUCNIKAVHH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067859
s1c2CCCCCc2cc1C(=O)NNC(=S)NCCCCC	PC-id_9187627	339.519	SPHFTZBBWQKVOQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067860
s1c2CCCCCCc2cc1C(=O)NNC(=S)NC(C)(C)C	PC-id_9425743	339.519	YLYQNCITLDJVMS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067861
CN1C(=O)C(I)CCn2c1nc(c2Cl)C	SCHEMBL18366923	339.561	CLGKGLLORIZBFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067862
O=C1C(I)CCn2c(N1C)c(Cl)nc2C	SCHEMBL18367002	339.561	SFIABQZATXHPBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067863
Brc1ccc(Cn2nc3CCCCCc3c2Cl)cc1	PC-id_66015308	339.658	ADBZXEQCSNMXLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067864
Brc1cc(Cn2nc3CCCCCc3c2Cl)ccc1	PC-id_66016894	339.658	SHDHEZROJOMEPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067865
Brc1c(Cn2nc3c(CCCCC3)c2Cl)cccc1	PC-id_66015511	339.658	GKLZDGBBDOQDCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067866
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ncc(F)cc1Cl	PC-id_146137689,ZINC22_1875269853	339.753	FKELFXSCHPWNPQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067867
c1(cc(F)c(cc1Cl)F)C(=O)NCc1c2CCCCCc2[nH]n1	EMOLS-id_222781836,MCULE-3013628288,ZINC22_670461887	339.768	ZDFNMIDKWPHVFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067868
c12C(=O)NCCCc1nc(NC(=O)c1c(cccc1F)Cl)s2	MCULE-9261785402,ZINC22_211128832,PC-id_72719974,EMOLS-id_50139197	339.772	PUTODBAKSLVBOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067869
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1c(cc(cc1)F)Cl	PC-id_90625439	339.772	RYFGWPBSHZIBAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067870
Clc1cccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c1	MCULE-6238486079,EMOLS-id_33086238,PC-id_53182779	339.797	PYBWUKLFJSKYSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067871
Clc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)cc1	MCULE-5663644014,EMOLS-id_33086240,PC-id_53182780	339.797	QQRBZRPHPQFBRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067872
ClCCN(C(=O)c1cc2c(s1)CCCCC2)CC(F)(F)F	PC-id_107492136	339.804	ZWBQDLZDULDUIZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-067873
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(Cl)s1	ZINC22_72448094,EMOLS-id_43141462,MCULE-8130824670,PC-id_56903918	339.84	VAYYJHDPBQKRDX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067874
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cccc(c1Cl)C	EMOLS-id_318829704	339.84	QJLKZZWJQBEEPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067875
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(c(c1)Cl)C	EMOLS-id_319332857	339.84	LUAJWRGRTMDAQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067876
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cc(C)ccc1Cl	MCULE-8512762585,EMOLS-id_319938978	339.84	LNMRXYJWMQUZBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067877
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cc(Cl)ccc1C	EMOLS-id_319310814	339.84	SDAUTKURFVEFIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067878
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)Cc1cccc(c1)Cl	EMOLS-id_319919665,MCULE-2844982996	339.84	JTRDRRNUTNFQHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067879
Cc1ccc(c(c1)Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946084	339.84	NFUYPUOYOHBFSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067880
Cc1ccc(cc1Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948370	339.84	IKQVPRUJKYXMID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067881
Cc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101950734	339.84	SJBXTCKPDKRKGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067882
Cc1sc2c(n1)CCCCN2C(=O)CCc1c(C)noc1Cl	EMOLS-id_320297034,MCULE-2788596753	339.84	CCJZDTILCMGWPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067883
Clc1ccc(c(c1)C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948355	339.84	WCJYCSIYJWZKOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067884
Clc1ccccc1CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948442	339.84	JTIJADLBGOTWKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067885
Clc1cccc(c1)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950935	339.84	ZJJVZRDZWRYUGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067886
Clc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101948307	339.84	QUDCZIBWWBJSMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067887
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1c(C)cccc1Cl	EMOLS-id_101951040	339.84	WMRNRVSPTCDETM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067888
O=S(=O)(Cc1cccc(Cl)c1)Cc1nnc2n1CCCCC2	ZINC22_278758006,EMOLS-id_99105230,MCULE-5626129232	339.84	MUSKKTWOPJRNLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067889
Clc1scc(c1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318996862	339.844	PFRNDOSLNNYLON-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067890
CN(C(=O)Nc1ccsc1Cl)Cc1nnc2n1CCCCC2	EMOLS-id_319043848	339.844	PJIAJUGPVTYSEE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067891
O=C(N1CCCn2c(C1)cc(n2)N)NCCc1ccc(s1)Cl	EMOLS-id_319833026,MCULE-9703158682	339.844	IFLBFXDJDNORIM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067892
O=C(NCc1ccc(Cl)s1)NCc1nnc2n1CCCCC2	MCULE-3688907574,ZINC22_45866665,EMOLS-id_35699374,PC-id_53500124	339.844	OWFOKRSGKAUNFZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067893
C=CC(=C)c1c2CCCCCCc2n(c1C)Cc1ccc(cc1)Cl	PC-id_144259589	339.902	FUEUWCVXCOLKAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067894
CCNC(c1cc2c(s1)CCCCC2)Cc1ccc(s1)Cl	PC-id_115841353	339.946	QZPQBIGFNZJXCE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-067895
CCNC(c1cc(c(s1)Cl)C)c1cc2c(s1)CCCCC2	PC-id_102763837	339.946	VKORPZKWGITSNP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-067896
Clc1c(scc1)C(NCCC)c1sc2c(CCCCC2)c1	PC-id_80529213	339.946	MXMBLAGRQBZCKU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-067897
Clc1sc(C(NCCC)c2sc3c(CCCCC3)c2)cc1	PC-id_43496950	339.946	CITCSUDZTUURDH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-067898
CCOc1c(cc(cc1)Cc1cc2-c(ccccc2)c1)Br	PC-id_163744090	340.046	LKHSXSWRBTUWFP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-067899
C1CCC2=C(CC1)SC(=C2)C(=O)NN3C(=O)C4=CC=CC=C4C3=O	PC-id_154772643,MCULE-1486118576,EMOLS-id_257850005	340.088	IPCJDRDLZBWWDJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-067900
CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)SC3=CC=C(C=C3)Cl	PC-id_165177880	340.105	AKZXMVNMEKYESJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-067901
COC(=O)c1cccc2-c(c1)c(I)cc2C=O	PC-id_145979924	340.113	UBACJBFPGBOUHZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067902
[B]c1ccc(cc1)CCC(=O)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_145578251	340.142	RUHVBAGKIOIASW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067903
CC1(C(=O)N(C(=O)N1)CC2=NN=C3N2CCCCC3)C4=CC=CC=N4	PC-id_154747616,MCULE-4660199414,EMOLS-id_317263540	340.165	XFGCYORZMKPYRC-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-067904
Cc1ccc(cc1)SNC(=NCCc1c[nH]c2c1CCCC=C2)N	PC-id_163834662	340.172	OGRSWYOHQDZNNN-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-067905
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CN(N=C4C(C3)(C)C)C	PC-id_164762761	340.172	XDAITPMAUYLJPU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067906
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=NN(C=C4C(C3)(C)C)C	PC-id_154685623	340.172	SASBPZOHEFICJR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067907
CC(=O)N1CCC(CC1)N(CCO)C(=O)C2=CC3=CC=CC=CC3=C2	PC-id_161883109	340.179	YDDOZWGWLACFPU-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-067908
Brc1ccc(c(c1)CNC1CCn2c(CC1)nnn2)F	EMOLS-id_318059584,MCULE-7452938446	340.194	UUYMQWPXBXYNMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067909
Brc1ccc(c(c1)F)CNC1CCn2c(CC1)nnn2	EMOLS-id_318277951,MCULE-8292725424	340.194	YSOUUFIHJKCGJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067910
Brc1cc(CNC2CCn3c(CC2)nnn3)ccc1F	MCULE-9036284260,EMOLS-id_318314172	340.194	OICAEPWGNICLHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067911
Brc1cnc(c(c1)F)NCc1nnc2n1CCCCC2	EMOLS-id_318144072,MCULE-2626837187	340.194	VVZVOEJOWAVQGX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067912
Fc1ccc(c(c1)Br)CNC1CCn2c(CC1)nnn2	EMOLS-id_318060352,MCULE-6871294456	340.194	QYIQUQYSYXSYEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067913
Fc1c(cccc1Br)CNC1CCn2c(CC1)nnn2	MCULE-6655903021,EMOLS-id_318122494	340.194	MJCRZHKNCCKJDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067914
Fc1ccc(c(c1)CNC1CCn2c(CC1)nnn2)Br	EMOLS-id_318152344,MCULE-6557226166	340.194	DUOMCHSVFYTJKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067915
Fc1cccc(c1CNC1CCn2c(CC1)nnn2)Br	EMOLS-id_318314682,MCULE-4451089955	340.194	KGHIMHGCVQDNHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067916
Fc1cc(CNC2CCn3c(CC2)nnn3)ccc1Br	EMOLS-id_318152088,MCULE-1766720386	340.194	AAGXFARDLQXIKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067917
Fc1cc(CNC2CCn3c(CC2)nnn3)cc(c1)Br	EMOLS-id_318193855,MCULE-2645185647	340.194	ZMOCXRDNUYTJAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067918
C1CCC2=NN=C(N2CC1)CN3CCN(CC3)C(=O)C4=CC=NC=C4	MCULE-7046176327,PC-id_154759955,EMOLS-id_257873384	340.201	XHAVUFRBQVCAMB-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-067919
C/C=C(CC1=C(C=C)NCc2n(C1)ccc2)/I	PC-id_143371428	340.203	QHVWBIJHIQQHAM-KGVSQERTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-067920
C1CN(Cc2ccnn2C1)C(=O)OCc1cc(cc(c1)Cl)Cl	PC-id_86345632,SCHEMBL16099694	340.204	XVUKVLUEZPOOFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067921
C1CN(Cc2cncn2C1)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16101200,PC-id_86345470	340.204	LOFHDBZMWCGZFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067922
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(Cl)cc(c1O)Cl	EMOLS-id_320185611,MCULE-4453168505	340.204	BZIFTPMMVVHPRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067923
c1(cc(Cl)cc(Cl)c1OC)C(=O)N1CCCn2cncc2C1	MCULE-7238515433,PC-id_56899420,ZINC22_72163427,EMOLS-id_43128349	340.205	PERBCVIUYAUOCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067924
Clc1cc(O)c(c(c1)Cl)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101673035	340.205	PMYCLGWTYUCZDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067925
Clc1ccc(c(c1)Cl)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319084575	340.208	XTKWAYGLIGJHOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067926
Clc1cc(cc(c1)Cl)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320265540,MCULE-2401776018	340.208	AQCHLLFEZFGTAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067927
Clc1nc(Cl)cc(c1)C(=O)NCc1nnc2n1CCCCC2	PC-id_86917702	340.208	QOTWZXFNKQAGRA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067928
O=C(c1ccc(c(c1Cl)Cl)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102176414	340.208	ATHFOHHOROGZJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067929
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc(c(c1)Cl)Cl	EMOLS-id_319491120	340.208	OTJMULVYSKXIEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067930
CCCC(=O)N(C1=C2C=CC=CC=C2C=C1)[C@H](C(=O)NC)C(C)(C)C	PC-id_154308657	340.215	ACVJTKROGGBZRC-LJQANCHMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067931
Cc1nn(c(c1Br)CNC1CCn2c(CC1)nnn2)C	EMOLS-id_102000591	340.222	BBCLENJOYSAKDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067932
Brc1ccc(/N=c/2sc(=O)n3n2CCCCC3)cc1	PC-id_76331148	340.239	HFVWAONFQBFRES-QINSGFPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067933
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(s1)Br	EMOLS-id_320096184,MCULE-9280831781	340.239	FWVUGSOOSGRJDC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067934
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccsc1Br	EMOLS-id_319907261,MCULE-3232243230	340.239	FUFSZMGSGMKALX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067935
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1scc(c1)Br	EMOLS-id_319536029	340.239	RYZMYTBEYFIHRW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-067936
Cn1nnc(c1C(=O)c1cc2c(s1)CCCCC2)Br	PC-id_106464316	340.239	ZQFRVEXIZPEGMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067937
Brc1cc(nc(n1)C)Sc1nnc2n1CCCCC2	PC-id_116482899	340.242	YGZQVLCSVJUILD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067938
Brc1cc(N)c(Sc2n3CCCCCc3nn2)nc1	PC-id_61228111	340.242	YJQQUPXFEGFGFA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067939
Brc1c(Sc2n3CCCCCc3nn2)ncc(N)c1	PC-id_79535133	340.242	REZXRABMUSYJHM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067940
Nc1cncc(c1Sc1nnc2n1CCCCC2)Br	PC-id_103519135	340.242	CPOQENBAPKAUGE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067941
CC1CN(C[C@H](c2ccc(c(c2)Cl)Cl)O)Cc2c(C1)[nH]nc2	EMOLS-id_320100100,MCULE-2481349500	340.248	SAULMIAKVSAZPM-YRQZNCJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067942
Clc1ccc(OCCCc2nnc3n2CCCCC3)c(Cl)c1	MCULE-3285155232,CoCoCo_3764241,PC-id_5092466,ZINC22_4980014	340.248	PETSBXDSRBYEBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067943
c1(csc2CCCCCc12)C(=O)Nc1cccc(Cl)c1Cl	PC-id_3581465,EMOLS-id_16062757,MCULE-1634844266,CoCoCo_2171517	340.267	QZPMKTYHBDRGET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067944
c1(csc2CCCCCc12)C(=O)Nc1cc(Cl)cc(Cl)c1	CoCoCo_2171518,MCULE-4647426249,EMOLS-id_16062759,PC-id_3581466	340.267	HNBDOAPMHFTEKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067945
Clc1cc(C(=O)c2c3CCCCCc3sc2N)ccc1Cl	SCHEMBL4059386,PC-id_68896666	340.267	JOFXFMZBPFIBAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067946
Clc1c(NC(=O)c2sc3CCCCCc3c2)cc(Cl)cc1	PC-id_7899958	340.267	MACBQPCNMJNWJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067947
Clc1cc(ccc1Cl)C[NH2+][C@@H](c1nnc2n1CCCCC2)C	GD-id_ZINC43926424	340.271	WLOQMKXRFUFXJQ-LLVKDONJSA-O	00000000100000110101000000000010000000000000000000000000	31-01-067948
Clc1cc(Cl)cc(c1)C[NH2+][C@H](c1nnc2n1CCCCC2)C	GD-id_ZINC44601409	340.271	GQISDINZQRFFEC-NSHDSACASA-O	00000000100000110101000000000010000000000000000000000000	31-01-067949
S(=O)(=O)(OC1=C(CCCn2c1cnc2)C(=O)OC)C(F)(F)F	PC-id_57362607	340.276	QYPKVIGCSZHIGF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-067950
Brc1oc(C(NC)c2sc3c(CCCCC3)c2)cc1	PC-id_80217681	340.279	HUWWLQKWVDDBIX-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-067951
CNC(c1occc1Br)c1cc2c(s1)CCCCC2	PC-id_115861588	340.279	BSAMXSLVFCOLLS-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-067952
Brc1cnn(c1C(c1cc2c(s1)CCCCC2)N)C	PC-id_105054372	340.282	IBDXXSZJDAFOHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067953
O=C(ON1C(=O)c2ccccc2C1=O)c1cc2c(CCCNC2=O)o1	MCULE-2238753108,EMOLS-id_316741030	340.287	QYODQDDHMWCISM-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-067954
O=C(ON1C(=O)c2ccccc2C1=O)c1coc2CCCC(=O)Nc12	MCULE-9608406949,EMOLS-id_316760968	340.287	XTNFMPGERUGWOQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-067955
O=C(ON1C(=O)c2ccccc2C1=O)c1coc2CCCNC(=O)c12	EMOLS-id_316799376,MCULE-9098263882	340.287	XTANKNVPLUGNMF-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-067956
CCOC(=O)c1cc(c2-c1ccccc2OCC)C(=O)C(F)(F)F	PC-id_102528689	340.294	IHJXYCOMCOZYBU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067957
c1(C(=O)Nc2ccc(cc2)OC(F)(F)F)c2CCCCCc2on1	ZINC22_426576,PC-id_4257433,TIMTEC385935,MCULE-8960289928,EMOLS-id_21980275,ChEMBL-DNDi_CHEMBLC226-3497	340.297	PQEQGYHNRPSIEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067958
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCOC2C(F)(F)F	SCHEMBL367135,PC-id_66667882	340.297	CGSWJTOGGREVGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067959
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(=O)[nH]1)C(F)(F)F	EMOLS-id_319140496	340.3	PRPANAQXRTZQCB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067960
Cn1c(=O)n2CCN(CCc2n1)C(=O)c1ccccc1C(F)(F)F	PC-id_91922388	340.3	XHEKWESEFIYWGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067961
FC(Oc1cc(F)ccc1NC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_320070739,MCULE-9053104559	340.3	FTIHTDCDQUPQKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-067962
O=C(C1CCn2c(CC1)nnn2)Nc1cnc(c(c1)C)C(F)(F)F	EMOLS-id_278980162	340.304	CRPRODVWFHHTMB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067963
O=C(NCc1nnc2n1CCCCC2)c1cnc(C(F)(F)F)nc1	PC-id_121533096,MCULE-1083461269,EMOLS-id_73047677,ZINC22_122678232	340.304	JVCYBXHDMIIOHK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067964
Clc1ccc(c(c1)CC(c1cc2c(s1)CCCCC2)N)Cl	PC-id_115863302	340.31	WXEPKDHDLWFPAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067965
Clc1ccc(c(c1)Cl)CC(c1cc2c(s1)CCCCC2)N	PC-id_115840295	340.31	NHXDBKNOORQMPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067966
Clc1cc(CC(N)c2sc3c(CCCCC3)c2)ccc1Cl	PC-id_63528654	340.31	BXROPEAJWKDMPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067967
Clc1cc(C(NC)c2sc3c(CCCCC3)c2)ccc1Cl	PC-id_43486447	340.31	DODUERGVPLRQRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067968
Clc1c(C(NC)c2sc3c(CCCCC3)c2)ccc(Cl)c1	PC-id_63501709	340.31	QGHMKHFLNQYMDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067969
Clc1c(C(NC)c2sc3c(CCCCC3)c2)cc(Cl)cc1	PC-id_43486620	340.31	QCAJOCYUIPOXNW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067970
CNC(c1cccc(c1Cl)Cl)c1cc2c(s1)CCCCC2	PC-id_115851354	340.31	JPFKDGGPMAZWPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067971
NC(c1cc2c(s1)CCCCC2)Cc1cccc(c1Cl)Cl	PC-id_107312229	340.31	OHYBHRAOGSAUBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067972
NC(c1cc2c(s1)CCCCC2)Cc1c(Cl)cccc1Cl	PC-id_115830671	340.31	LMHHIUGPEMZYJJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-067973
O=C(C1CCn2c(CC1)nnc2)NCCS(=O)(=O)C(F)(F)F	EMOLS-id_278439073	340.322	XUSBPTNHMSVGAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067974
OCC(n1nnc(c1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)(F)F	EMOLS-id_319281273	340.329	GPAWVZDOCFLKMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067975
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)NCc1onc(n1)C(F)F	EMOLS-id_319654635	340.329	IMSUEGZGJROTIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-067976
CCOC(=O)c1c2-c(ccc(cc2)[N+]#[C-])c(c1NC=O)C(=O)OCC	PC-id_90936252,CT-id_4101012	340.33	HJOFFRVDKPXJPI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067977
O=CNc1c(C(=O)OCC)c2-c(c1C(=O)OCC)ccc(cc2)C#N	PC-id_102514433	340.33	GVJWVXUNIHPBJV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067978
OC(=O)c1cc2c(o1)ccc(c2)NC(=O)c1noc2c1CCCCC2	MCULE-8820057087,PC-id_120690897,EMOLS-id_72411188	340.33	SEMGPUMKQAJZMR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-067979
O=C(OCc1nc(c2cccnc2)no1)c1noc2c1CCCCC2	PC-id_86803319,EMOLS-id_49966802,MCULE-5247870358,ZINC22_97103243	340.333	PXTYDCDCCHGFRU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067980
N#C[C@@H](c1nnc2n1CCCCC2)C(=O)c1cc(cnc1C)[N+](=O)[O-]	PC-id_97066027	340.337	MHESLKPUDCGXKD-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067981
N#C[C@H](c1nnc2n1CCCCC2)C(=O)c1cc(cnc1C)[N+](=O)[O-]	PC-id_97066028	340.337	MHESLKPUDCGXKD-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067982
O=C(c1ccc2c(c1)C(=O)N(C2=O)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102166408	340.337	LOMPKZASLVSVAC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-067983
O=C(c1ccco1)N1CCc2nnc(COc3cncnc3)n2CC1	PC-id_97405411,ZINC22_96084587,EMOLS-id_46182179	340.337	RXXBKYLNUCDIEC-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067984
O=C(c1ccco1)N1CCc2nnc(COc3ncccn3)n2CC1	ZINC22_96084583,PC-id_97405408,EMOLS-id_46182171	340.337	RIEXSXXAMOFTSP-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-067985
s1c2c(CCCCC2)cc1C(=O)N1CC(Nc2ccccc2)CC1	PC-id_56433229	340.482	VOVVMXXRKWOPDH-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-068761
O=C(c1ccno1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1	ZINC22_96188734,PC-id_97463167	340.337	MQXVWVKSRWYUQA-GFCCVEGCSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067986
O=C(c1ccno1)N1Cc2nccn2C[C@H](Cn2ncccc2=O)C1	ZINC22_96188735,PC-id_97463168	340.337	MQXVWVKSRWYUQA-LBPRGKRZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067987
O=C(C(c1n2CCCCCc2nn1)C#N)c1c(ncc([N+](=O)[O-])c1)C	PC-id_71933079	340.337	MHESLKPUDCGXKD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067988
O=C(N1CC(Cn2ncccc2=O)Cn2ccnc2C1)c1ccno1	EMOLS-id_44326577	340.337	MQXVWVKSRWYUQA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067989
OC(=O)C(C(F)(F)F)(Cc1ccc(cc2-c1ccc2C)C(C)C)O	PC-id_101798385	340.337	SNMYOWWYWXVKKX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-067990
O=[N+]([O-])c1ccc(c2nc(Cc3nnc4n3CCCCC4)no2)cc1	MCULE-4495512507,PC-id_100688765,ZINC22_225588430,EMOLS-id_53775688	340.337	GRHZBVPXTLIGRI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-067991
c12C(CCCCn1nnn2)C(=O)NCc1onc(c2ccccn2)n1	PC-id_118791230,MCULE-2006944525,EMOLS-id_68932538	340.34	UEPZFGBPPQYSKT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067992
c12C(CCCCn1nnn2)C(=O)NCc1onc(c2cccnc2)n1	PC-id_118780320,MCULE-9714388246,EMOLS-id_68910991	340.34	AQVGTVRZOXEPHV-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067993
O=C(c1ccno1)N1CCCn2c(C1)c(CNc1ncccn1)nn2	PC-id_97519583	340.34	RVEMZPNNJNJXIB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-067994
O=C(NCc1nc(c2ccccn2)no1)[C@H]1CCCCn2nnnc12	ZINC22_299803010	340.34	UEPZFGBPPQYSKT-JTQLQIEISA-N	00000000100000101101100000000010000000000000000000000000	31-01-067995
O=C(NCc1nc(c2ccccn2)no1)[C@@H]1CCCCn2nnnc12	ZINC22_299803011	340.34	UEPZFGBPPQYSKT-SNVBAGLBSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067996
O=C(NCc1nc(c2cccnc2)no1)[C@@H]1CCCCn2nnnc12	ZINC22_299780538	340.34	AQVGTVRZOXEPHV-LLVKDONJSA-N	00000000100000101101100000000010000000000000000000000000	31-01-067997
O=C(NCc1nc(c2cccnc2)no1)[C@H]1CCCCn2nnnc12	ZINC22_299780550	340.34	AQVGTVRZOXEPHV-NSHDSACASA-N	00000000100000101101100000000010000000000000000000000000	31-01-067998
CC1CN(Cc2ccc(nc2)OCC(F)(F)F)Cc2c(C1)[nH]nc2	MCULE-1402126297,EMOLS-id_316974974	340.343	YILDLERAOPMTJR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-067999
C[C@@H]1Cc2n[nH]cc2CN(Cc2ccc(OCC(F)(F)F)nc2)C1	ZINC22_952884342	340.343	YILDLERAOPMTJR-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068000
C[C@H]1Cc2n[nH]cc2CN(Cc2ccc(OCC(F)(F)F)nc2)C1	ZINC22_952884343	340.343	YILDLERAOPMTJR-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-068001
CN(CC(c1ccc(cc1)F)(F)F)Cc1nnc2n1CCOCC2	EMOLS-id_318929478	340.343	ASMMAKPBLBVGMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068002
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1noc(c1)c1ccccc1F	EMOLS-id_318928875	340.352	AXWIIDBKBVEHII-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068003
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1noc(c1)c1ccc(cc1)F	EMOLS-id_319686937	340.352	QUGOPRYPUONYHE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068004
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1onc(c1)c1cccc(c1)F	EMOLS-id_320173570,MCULE-4892440440	340.352	HIJDUQZLFXJHNX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068005
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(ccc1F)n1nncc1	EMOLS-id_319867291,MCULE-9606309811	340.355	XPSSFLJDGSXSDA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068006
Fc1ccccc1C(=O)N1CCCn2c(C1)c(nn2)Cn1cccn1	PC-id_97519623	340.355	GRYHMKTYKXUKLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068007
Fc1cccc(c1)C(=O)N1CCCn2nnc(Cn3cccn3)c2C1	PC-id_97519624,ZINC22_96259542,EMOLS-id_44370632	340.355	DKKSPUFBENJNJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068008
Fc1ccc(cc1)C(=O)N1CCCn2nnc(Cn3cccn3)c2C1	PC-id_97519625,ZINC22_96259543,EMOLS-id_44370634	340.355	SJRKFACZPHLAAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068009
O=C(N[C@@H]1CNCc2nccn2C1)c1c[nH]nc1c1cccc(F)c1	ZINC22_2325857409	340.355	APSCVTISDYDUDJ-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068010
O=C(N[C@H]1CNCc2nccn2C1)c1c[nH]nc1c1cccc(F)c1	ZINC22_2325857410	340.355	APSCVTISDYDUDJ-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068011
c1(NC(=O)Cc2cc(F)c(cc2F)F)sc2c(CCCCC2)n1	MCULE-5274938675,EMOLS-id_323369841	340.363	UCXSWCWHRYLNBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068012
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cc1)C(F)(F)F	EMOLS-id_320051984,MCULE-9415234990	340.363	XZULRDJELQTCPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068013
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc(c1)C(F)(F)F	MCULE-8756988220,EMOLS-id_319951357	340.363	SMROTEFEVXYSII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068014
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(c(c1)F)C(F)F	EMOLS-id_319019575	340.363	FGXDAIFLQTXLIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068015
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cc1F)C(F)F	EMOLS-id_320241724,MCULE-9535232687	340.363	YSNYAZOTKKFWHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068016
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc(ccc1F)C(F)F	MCULE-1567009323,EMOLS-id_320295464	340.363	SXFMWIBIGWTLMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068017
O=C(N1CCCCc2c1sc(n2)C)Cc1cc(F)c(cc1F)F	EMOLS-id_320267846,MCULE-8598838600	340.363	NWXRBASTDQUBSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068018
O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1C(F)(F)F	ZINC22_12771775,PC-id_17526443,MCULE-9560164019,EMOLS-id_16753504,CoCoCo_4546026	340.363	JZRRLGJPCDTVRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068019
O=C(Nc1nc2c(s1)CCCCC2)c1cccc(C(F)(F)F)c1	PC-id_17518586,MCULE-1290930547,CoCoCo_4546029,EMOLS-id_44037992,ZINC22_12920847	340.363	ZPKMRTYVLPPNBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068020
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(C(F)(F)F)cc1	EMOLS-id_16730020,MCULE-3640597663,PC-id_17518591,CoCoCo_4546027,ZINC22_12920842	340.363	CWAMOKKDQQNRCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068021
O=C(NCCC1CCC(F)(F)CC1)c1coc2c1C(=O)NCCC2	MCULE-9174614020,ZINC22_890054627,PC-id_136567643,EMOLS-id_316982979	340.365	ZZSPHATVCYLKNF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-068022
CC(C)NC(=O)c1ncn2c1CN(C(=O)C1CC(F)(F)C1)CCC2	EMOLS-id_313789245,ZINC22_1565553880	340.368	MCYUYVAQFVHKNS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-068023
CCN(C)C(=O)c1cnn2c1CN(C(=O)C1CC(F)(F)C1)CCC2	ZINC22_1565546324,EMOLS-id_313768641	340.368	ZGDWMMCRSJYDDU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-068024
COC(=O)c1cc(c2-c1ccccc2)C(=O)c1ccc2-c1ccccc2	PC-id_101562607	340.371	PDBKYVQKVNUWIL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068025
C1Cc2n[nH]c(=O)n2CCC1NS(=O)(=O)Cc1cc(ccc1)F	PC-id_91910821,EMOLS-id_50586049,MCULE-6489412458	340.373	SBFRPSPPIIFMQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068026
CN(C1CCc2n[nH]c(=O)n2CC1)S(=O)(=O)c1ccccc1F	EMOLS-id_97041588,MCULE-4926905487	340.373	GQKORJSOHSNCDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068027
CS(=O)(=O)N1Cc2ccnn2CCC1COc1ncccc1F	EMOLS-id_313823009	340.373	FWAWHFSBEPQECC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068028
CS(=O)(=O)N1Cc2ccnn2CC[C@@H]1COc1ncccc1F	ZINC22_585096942	340.373	FWAWHFSBEPQECC-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068029
CS(=O)(=O)N1Cc2ccnn2CC[C@H]1COc1ncccc1F	ZINC22_585096946	340.373	FWAWHFSBEPQECC-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068030
CS(=O)(=O)N1Cc2cncn2C[C@@H](COc2ncccc2F)C1	PC-id_97477476,ZINC22_96209349	340.373	CETICFSQBWQLES-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068031
CS(=O)(=O)N1Cc2cncn2C[C@H](COc2ncccc2F)C1	ZINC22_96209348,PC-id_97477475	340.373	CETICFSQBWQLES-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-068032
CS(=O)(=O)N1CC(COc2ncccc2F)Cn2cncc2C1	EMOLS-id_49233151	340.373	CETICFSQBWQLES-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068033
Fc1ccccc1CS(=O)(=O)NC1CCc2n[nH]c(=O)n2CC1	PC-id_91922665,MCULE-3906976391,EMOLS-id_50586045	340.373	OAWAOWCJWSRTOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068034
Fc1ccc(CS(=O)(=O)NC2CCc3n[nH]c(=O)n3CC2)cc1	MCULE-7452464755,PC-id_91910820,EMOLS-id_50590492	340.373	VYJVIVYKYNILAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068035
O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1noc2c1CCCCC2	EMOLS-id_50568007,MCULE-9261916422,ZINC22_128629737,PC-id_99623529	340.373	FRPIUKOMHARVOK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-068036
CC1(Cn2cc(nc2OCCN1CC(=O)OC(C)(C)C)[N+](=O)[O-])C	PC-id_89580166,SCHEMBL14965776	340.375	PVJBJONNXGVKBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068037
CO[C@H]1CN(CCc2c([C@@H]1OC)n(C)nn2)C(=O)CCC(=O)OC	PC-id_118287834,SCHEMBL16984180	340.375	WKOYWKDMEIXQSS-XHDPSFHLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068038
Cc1ccc2oc(=O)n(CCC(=O)N3CCCn4cncc4C3)c2c1	PC-id_56892880,MCULE-9338353114,EMOLS-id_43101397,ZINC22_72146823	340.376	DMUFDAHACOGLGV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068039
CCC1N(CCCn2ccnc12)C(=O)Cn1c2ccccc2oc1=O	EMOLS-id_55717374,MCULE-9554206345	340.376	ZAYVJJNOHWAQRE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068040
C=CC(=O)Nc1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)O	EMOLS-id_319309442	340.376	CCBDDNZKVFDOQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068041
COc1cccc2c1oc(c2)CNC(=O)C1CCn2c(CC1)nnc2	MCULE-6228637655,EMOLS-id_320139030	340.376	OEDCTIUIYCWWJX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068042
COc1c(cc(cc1)/C(=C(C#N)/c1nnc2n1CCCCC2)/O)OC	PC-id_135615742	340.376	HCGFSBWBVXNTRN-LGMDPLHJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068043
COc1cc(cc(c1O)OC)C=C(C#N)c1nnc2n1CCCCC2	EMOLS-id_31842960,PC-id_136217838,MCULE-7967591860	340.376	VNMICWGNCUYEOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068044
COc1cc(cc(c1O)OC)/C=C(C#N)/c1nnc2n1CCCCC2	PC-id_135735578	340.376	VNMICWGNCUYEOV-MDWZMJQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-068045
COc1cc(cc(c1O)OC)/C=C(/C#N)c1nnc2n1CCCCC2	PC-id_136080788	340.376	VNMICWGNCUYEOV-JYRVWZFOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068046
COc1cc(OC)c2cc(C(=O)N3CCCc4n[nH]cc4C3)[nH]c2c1	ZINC22_633661635	340.376	KIWZFRFRVJZEPU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068047
COCc1nnc2CC(C)N(CCn12)C(=O)c1cc2ccccc2o1	EMOLS-id_313823784	340.376	FQCNBVVTULAPBT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068048
COCc1nnc2n1CCN(C(=O)c1cc3ccccc3o1)[C@H](C)C2	ZINC22_585097087	340.376	FQCNBVVTULAPBT-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068049
COCc1nnc2n1CCN(C(=O)c1cc3ccccc3o1)[C@@H](C)C2	ZINC22_585097090	340.376	FQCNBVVTULAPBT-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068050
COCCC(=O)N1Cc2cccn2C[C@H](Oc2ccc(C#N)cn2)C1	ZINC22_247849561	340.376	OCWPKMBQMZBXJF-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068051
COCCC(=O)N1Cc2cccn2C[C@@H](Oc2ccc(C#N)cn2)C1	ZINC22_247849566	340.376	OCWPKMBQMZBXJF-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068052
COCCC(=O)N1CC(Cn2cccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50009338	340.376	OCWPKMBQMZBXJF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068053
n12CCCNCc1cc(CCC(=O)Nc1ccc3c(c1)C(=O)OC3)n2	EMOLS-id_43147082,MCULE-8491895279,PC-id_70760183,ZINC22_72457192	340.376	VIIHEULLAHZOHY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068054
n1(CC(=O)NCc2c3CCCCCc3[nH]n2)c2ccccc2oc1=O	ZINC22_221281968,EMOLS-id_50543847,PC-id_90652211,MCULE-6351637052	340.376	FKBQNYGUPPQDTK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068055
O=C1c2ncn(CCc3c(ccc(c3)C(=O)OCC)C)c2NC=NC1	PC-id_10688510	340.376	BGVRSYIWAPZTGI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068056
O=C1c2ncn(CCc3c(CC)ccc(c3)C(=O)OC)c2NC=NC1	PC-id_10831013	340.376	TUBUZUJISFBFJG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068057
O=C1c2ncn(CCc3cc(CC(=O)OCC)ccc3)c2NC=NC1	PC-id_10759593	340.376	MOAKFJDAURGAHS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068058
O=C1c2ncn(CCCc3c(ccc(c3)C(=O)OC)C)c2NC=NC1	PC-id_10831014	340.376	FIIDZWGZZXGDLT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068059
Oc1ccc2c(c1)occ2C(=O)NCCc1nnc2n1CCCCC2	MCULE-3739355083,EMOLS-id_258186298	340.376	JGUUIUSWDVRTPW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068060
O(C1=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=C(OC)C1=O)C	PC-id_51072716	340.376	XWMUTKQUDZARAB-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-068061
O=C1CN(c2ccnc(C(=O)N3CCCc4occc4C3)c2)CCN1	EMOLS-id_177237020,ZINC22_288979086,MCULE-4428004694	340.376	BFIUHRZHQFLDSU-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-068062
O=C(C1CC1)Nc1ccc(cn1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100124565	340.376	VSLVLKQRORURMP-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068063
O=C(c1ccc[nH]1)N1CCCn2cnc(COCc3ccco3)c2C1	EMOLS-id_44371522,ZINC22_96259996,PC-id_97520076	340.376	UXRIJBYFQPHBSG-UHFFFAOYSA-N	00000000111000000101000000000010000000000000000000000000	31-01-068064
O=C(C1CCn2c(CC1)nnc2)N(Cc1ccco1)Cc1ccco1	MCULE-3148814857,EMOLS-id_320028661	340.376	XLUARKSIMZNOKO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068065
O=C(c1noc2c1CCCCC2)Nc1ccc(cc1)N1CCNC1=O	EMOLS-id_100946304	340.376	XWDMIQLPXOZODZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068066
O=C(C(=C1N2CCCCCC2=NN1)C#N)c1cc(OC)c(OC)cc1	PC-id_6817588	340.376	PPXZRWRKDQTQIS-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-068067
O=C(NC1CC1)c1nn2c(CN(CCC2)C(=O)c2cc(O)ccc2)c1	PC-id_56745014	340.376	XWPYBRVDJMMMTR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-068068
O=C(NCCn1c(=O)[nH]c2ccccc12)N1CCCc2occc2C1	ZINC22_290918801,EMOLS-id_316306548,MCULE-2986458544	340.376	FCSLMMSWDFTRAP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068069
O(C(=O)c1cc(CCn2c3NC=NCC(=O)c3nc2)ccc1C)CC	PC-id_10854631	340.376	JGKSDSQZRHDFKD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068070
O(C(=O)c1c(CCCn2c3NC=NCC(=O)c3nc2)ccc(c1)C)C	PC-id_10497346	340.376	OZJUCUHCLLHJRC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068071
O(C(=O)c1c(CCCn2c3NC=NCC(=O)c3nc2)cc(cc1)C)C	PC-id_10617112	340.376	RYAMDXAUFNFLQE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068072
OC(=O)C(CCCCn1c2c(nc1)NC=NCC2=O)c1ccccc1	PC-id_10831015	340.376	ISOFJPVJJCPXAG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068073
OC(=O)C(CCCCn1c2NC=NCC(=O)c2nc1)c1ccccc1	PC-id_10593251	340.376	PZPUSFRUHWPQPT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068074
c12C(CCCCn1nnn2)C(=O)NCc1cc2c(ccc(OC)c2)[nH]1	MCULE-8768289184,EMOLS-id_232873294	340.38	RLBVOJSIJRQBFS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068075
C1CN(CCn2c1nn(c2=O)CC#N)C(=O)NCCc1ccccc1	PC-id_91922485	340.38	JGUISIFYGYBWQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068076
c1(cnn2cc(C)cnc12)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	PC-id_91763530,EMOLS-id_55612689,MCULE-1845646097	340.38	WSTPVAHFYDMCPU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068077
c1(C(=O)NC2CC2)cc2n(CCCN(C(=O)c3cnc(nc3)C)C2)n1	EMOLS-id_36443330,MCULE-9753117413,ZINC22_67872648,PC-id_56711654	340.38	OYMSXEVCFKXDNW-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-068078
c1(C(=O)NCc2cc3n(CCCNC3)n2)[nH]nc(c2ccc(C)o2)c1	MCULE-8145851816,EMOLS-id_49659474,ZINC22_97578808,PC-id_74240185	340.38	XAAVCGQOGGLUQB-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-068079
c1(C(=O)NCc2nnc3CCCCCn23)[nH]nc(c2ccc(C)o2)c1	EMOLS-id_44725340,ZINC22_91664994,MCULE-6857718214,PC-id_70749705	340.38	YMOGSJWQKHFTAQ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-068080
c1(=O)nc(C)cc(C)n1CCC(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_55153888,EMOLS-id_31608918,MCULE-3068701002,PC-id_46987571	340.38	PJCPCZCWEOGQJU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-068081
C[C@@]1(c2cccnc2)NC(=O)N(Cc2nnc3n2CCCCC3)C1=O	ZINC22_268163667	340.38	PAVSFSZGZGKLCI-KRWDZBQOSA-N	00000010100000101101100000000010000000000000000000000000	31-01-068082
C[C@]1(c2cccnc2)NC(=O)N(Cc2nnc3n2CCCCC3)C1=O	ZINC22_268163670	340.38	PAVSFSZGZGKLCI-QGZVFWFLSA-N	00000010100000101101100000000010000000000000000000000000	31-01-068083
Cc1cc(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)c(C)o1	PC-id_97463079,ZINC22_96188645	340.38	GDDYXIMZEZIEPZ-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068084
Cc1cc(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)c(C)o1	ZINC22_96188644,PC-id_97463078	340.38	GDDYXIMZEZIEPZ-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068085
Cc1cc(C(=O)N2CCc3ncc(Cn4cncn4)n3CC2)c(C)o1	EMOLS-id_44328939,PC-id_97467146,ZINC22_96197002	340.38	AGMCLXBZACTSIX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068086
Cc1cc(C(=O)N2CC(Cn3cncn3)Cn3ccnc3C2)c(C)o1	EMOLS-id_44326487	340.38	GDDYXIMZEZIEPZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068087
Cc1cc(C(=O)NCc2nnc3n2CCCCC3)c2c(C)noc2n1	PC-id_45805031,EMOLS-id_29631613,CoCoCo_4625793,ZINC22_40489066,MCULE-5590533823	340.38	JJCFQUOKEWVAEL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068088
Cc1cc(O)n2c(n1)c(cn2)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318849797	340.38	RRLXNYYMMXRLRL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068089
Cc1cnc2n(c1)ncc2C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99972009	340.38	WSTPVAHFYDMCPU-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068090
Cc1cnc2n(c1)ncc2C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99972010	340.38	WSTPVAHFYDMCPU-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068091
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nc(oc1C)c1cnn(c1)C	EMOLS-id_319264069	340.38	MMUBCHNFPKSJOS-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-068092
Cc1nc2ccc(NC(=O)NCc3nnc4n3CCCCC4)cc2o1	EMOLS-id_76009798,PC-id_121559170,MCULE-7447993380,ZINC22_126284348	340.38	YDJZLUFODXLKAF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068093
Cc1nc(C)n(CC2CN(Cc3nccn3C2)C(=O)c2ccco2)n1	EMOLS-id_44326553	340.38	YTSBLPBBMNIAPO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068094
Cc1nc(C)n(C[C@H]2CN(C(=O)c3ccco3)Cc3nccn3C2)n1	PC-id_97463143,ZINC22_96188710	340.38	YTSBLPBBMNIAPO-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068095
Cc1nc(C)n(C[C@@H]2CN(C(=O)c3ccco3)Cc3nccn3C2)n1	ZINC22_96188711,PC-id_97463144	340.38	YTSBLPBBMNIAPO-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068096
Cc1noc2ncc(C(=O)N[C@H](C)c3nnc4n3CCCCC4)cc12	ZINC22_29893279	340.38	ZSCZTZZTCNTEPF-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068097
Cc1noc2ncc(C(=O)N[C@@H](C)c3nnc4n3CCCCC4)cc12	ZINC22_29893283	340.38	ZSCZTZZTCNTEPF-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-068098
CCC1N(CCCn2ccnc12)C(=O)c1ccc(Cn2cncn2)o1	EMOLS-id_55717368,MCULE-6443766828	340.38	QZOQXFNUXXDNCH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068099
CCn1c(CN2CCCn3c(C2)cnn3)nc2c1ccc(c2)C(=O)O	MCULE-1019511182,EMOLS-id_316317844	340.38	JWSGTJGKOYYQSS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068100
CC(O)c1cc2CN(CCCn2n1)C(=O)Cn1nc2ccccc2n1	MCULE-7493201954,PC-id_91770692,EMOLS-id_55633062	340.38	BKXDKIVRQCZWMX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068101
Cn1cc(c(n1)c1ccnn1C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_318916026	340.38	GOCMMGKROGECER-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-068102
Cn1c(CNC(=O)C2CCCCc3n2c(=O)[nH]n3)nc2c1cccc2	EMOLS-id_207869301	340.38	NIIGZYANCAHFAO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068103
Cn1nc2CCN(CCn2c1=O)C(=O)CCc1nc2ccccc2[nH]1	MCULE-8804528911,PC-id_91922406,EMOLS-id_50585901	340.38	LEAWMZPDLZXJPN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068104
Cn1ncc(c1)c1noc(c1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-4342885769,EMOLS-id_320027600	340.38	YWMUSAOVDHPUFK-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-068105
CN(C)C(=O)N1Cc2cncn2C[C@H](COc2ccc(C#N)cn2)C1	PC-id_97477247,ZINC22_96209120	340.38	AJNIHXUVYSUKLW-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068106
CN(C)C(=O)N1Cc2cncn2C[C@@H](COc2ccc(C#N)cn2)C1	ZINC22_96209121,PC-id_97477248	340.38	AJNIHXUVYSUKLW-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068107
CN(C)C(=O)N1CC(COc2ccc(cn2)C#N)Cn2cncc2C1	EMOLS-id_49232793	340.38	AJNIHXUVYSUKLW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068108
COc1ccc2[nH]c(CNC(=O)[C@H]3CCCCn4nnnc34)cc2c1	ZINC22_824758612	340.38	RLBVOJSIJRQBFS-AWEZNQCLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068109
COc1ccc2[nH]c(CNC(=O)[C@@H]3CCCCn4nnnc34)cc2c1	ZINC22_824758613	340.38	RLBVOJSIJRQBFS-CQSZACIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068110
COCc1nnc2CCC(CCn12)NC(=O)c1n[nH]c2ccccc12	EMOLS-id_50590319,PC-id_91910763	340.38	FJFCWVVPSDCVPX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068111
n12CCC(CCc1nn(C)c2=O)NC(=O)c1c2ccccc2n(C)n1	MCULE-8616343013,PC-id_91910829	340.38	QEHMRWSFZVSBDM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068112
n12CCCNCc1cc(CNC(=O)c1ccc(Cn3cccn3)o1)n2	MCULE-2589257322,EMOLS-id_49652580,ZINC22_97505599,PC-id_74236797	340.38	YPNBIGPRAKMEKL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068113
N#Cc1c(ccnc1OC)NCc1nn2c(c1)CN(CCC2)C(=O)C	PC-id_70724201,MCULE-5761003676,EMOLS-id_44430325	340.38	CPXTWZXVBKIIGL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068114
O=C1CCCN1C[C@H]1CN(C(=O)c2cnccn2)Cc2nccn2C1	PC-id_97389309,ZINC22_96066979	340.38	KCSFACNNDGKGLU-ZDUSSCGKSA-N	00000010100000100101000000000010000000000000000000000000	31-01-068115
O=C1CCCN1C[C@@H]1CN(C(=O)c2cnccn2)Cc2nccn2C1	ZINC22_96066978,PC-id_97389308	340.38	KCSFACNNDGKGLU-CYBMUJFWSA-N	00000010100000100101000000000010000000000000000000000000	31-01-068116
O=C1Nc2nccn2C2(C1)CN(C2)C(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319142568	340.38	DQJKQQARMRJZNY-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-068117
O=C1NC(C(=O)N1Cc1nnc2n1CCCCC2)(C)c1cccnc1	EMOLS-id_316110836,MCULE-8089933540	340.38	PAVSFSZGZGKLCI-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-068118
O=C(c1ccc2c(c1)C(C)(C)C(=O)N2)NC1CCn2c(CC1)nnn2	EMOLS-id_102182427	340.38	WOUGLXRXJWMUEX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068119
O=C(c1ccc2c(c1)NC(=O)C2(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102176462	340.38	SJDTYNZZCJILSF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068120
O=C(c1ccn2c(c1)n[nH]c2=O)N1Cc2cnn(c2CC(C1)(C)C)C	MCULE-1753596906,EMOLS-id_319888838	340.38	LVLGFZYPJGSYMF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068121
O=C(C1CCn2c(CC1)nnc2)NCCn1c(=O)[nH]c2c1cccc2	MCULE-7251320403,EMOLS-id_319952348	340.38	WUGNZGRTMYOOEV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068122
O=C(c1cnc2c(c1)c(C)no2)NC(c1nnc2n1CCCCC2)C	MCULE-6631552025,PC-id_51077800,EMOLS-id_33304527	340.38	ZSCZTZZTCNTEPF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068123
O=C([C@H](N1Cc2c(C1=O)cccc2)C)NC1CCc2n(CC1)nnn2	EMOLS-id_320223200,MCULE-4862141159	340.38	UMBHCMNGPFQAHV-JTDNENJMSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068124
O=C(N1CCCn2c(C1)cc(n2)[C@H](O)C)Cn1nc2c(n1)cccc2	PC-id_99973594	340.38	BKXDKIVRQCZWMX-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068125
O=C(N1CCCn2c(C1)cc(n2)[C@@H](O)C)Cn1nc2c(n1)cccc2	PC-id_99973595	340.38	BKXDKIVRQCZWMX-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068126
O=C(N1CC(CN2CCCC2=O)Cn2ccnc2C1)c1cnccn1	EMOLS-id_46160597	340.38	KCSFACNNDGKGLU-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-068127
O=C(Nc1ccc2c(c1)c(C)c(o2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102022669	340.38	SDVORDOXEZFZIW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068128
O=C(Nc1nc2c(n1C)cccc2)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_316689179	340.38	FZNUKORDBPVSSK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068129
O=C(Nc1nnc(CCc2ccco2)[nH]1)c1n[nH]c2c1CCCCC2	PC-id_91652282,EMOLS-id_50358977,ZINC22_170610050,MCULE-2889176864	340.38	NWTQGHGBCZUEGJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068130
O=C(OCCCc1nc2ncccn2n1)c1n[nH]c2c1CCCCC2	ZINC22_195579060,EMOLS-id_50616146,PC-id_91662507,MCULE-1362895931	340.38	MSVRKTDJCFOYAK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068131
c12C(CCCCn1nnn2)C(=O)NCCCc1nnc2ccccn12	EMOLS-id_68893847,PC-id_118771987,MCULE-7913272001	340.383	ICYFYDMPBWTAOP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068132
Cc1cc(C(=O)NC2CCn3c(CC2)nnn3)c2c(n1)n(C)nc2C	EMOLS-id_102166420	340.383	ZPSXUKFYWXRFJS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068133
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nnn(c1C)c1ccn(n1)C	EMOLS-id_318991167	340.383	AHNCTGGMYLJJMB-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-068134
Cc1nc2ncccn2c1C(=O)N[C@H](C)c1nnc2n1CCNCC2	PC-id_95222412,ZINC22_67895297	340.383	ICIVMBBGKVGCCQ-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068135
Cc1nc2ncccn2c1C(=O)N[C@@H](C)c1nnc2n1CCNCC2	ZINC22_67895295,PC-id_95222411	340.383	ICIVMBBGKVGCCQ-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-068136
CCn1c(N)nc2cc(cnc12)C(=O)N1CCc2nnc(C)n2CC1	ZINC22_77536499,EMOLS-id_43602659,PC-id_70782815,MCULE-3062665418	340.383	YFHFQFQLJMXBQB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068137
CC(NC(=O)c1c(C)nc2ncccn12)c1nnc2CCNCCn12	PC-id_56719052,EMOLS-id_36458541,MCULE-3441509540	340.383	ICIVMBBGKVGCCQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068138
Cn1cncc1CN1CCc2n(CC1)c(nn2)COc1ncccn1	PC-id_97405407	340.383	SBJICIGYBRZZNW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-068139
CN(C(=O)Nc1ccnc2n1ncc2)Cc1nnc2n1CCCCC2	MCULE-9786302854,EMOLS-id_319990564	340.383	JAASYDKNNXCWBD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068140
CN(C(=O)Nc1cnc2n(c1)ncc2)Cc1nnc2n1CCCCC2	MCULE-3339932675,EMOLS-id_319873691	340.383	PSEJSCFCTHAKDX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068141
O=C(Nc1ccc2c(c1)n(C)nc2C)NC1CCn2c(CC1)nnn2	EMOLS-id_102018370	340.383	BNDRAJLHAGTTSH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068142
O=C(NCCc1nnc2n1CCCCC2)Nc1ccc2nn[nH]c2c1	ZINC22_95434478,MCULE-6885453079,PC-id_75387645,EMOLS-id_48281464	340.383	VQDAXFZUVDQPIH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068143
O=C(NCCc1nnc2n1CCCCC2)Nc1nc2ccccn2n1	ZINC22_97079874,EMOLS-id_49344023,PC-id_75518845,MCULE-1696296425	340.383	JNWJAWVVAFWYMJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068144
O=C(NCCCc1nnc2ccccn12)[C@@H]1CCCCn2nnnc12	ZINC22_299763968	340.383	ICYFYDMPBWTAOP-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068145
O=C(NCCCc1nnc2ccccn12)[C@H]1CCCCn2nnnc12	ZINC22_299763970	340.383	ICYFYDMPBWTAOP-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068146
c1(C(=O)Nc2sc3c(CCCCCC3)n2)n(C)nc(C(F)F)c1	PC-id_134696697,MCULE-7709091127,ZINC22_1529098907,EMOLS-id_316155051	340.391	PAJGDGZCQSRGFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068147
C=C/C=CC=CC1(COC1)NC(=O)c1cc2=CC(C)C=CC(=c2[nH]1)F	PC-id_144935756	340.391	BZTUITUMBGJVOB-KMOPYBJPSA-N	00001000100000000110000000000010000000000000000000000000	31-01-068148
Cn1ncc(C(=O)Nc2nc3c(s2)CCCCCC3)c1C(F)F	ZINC22_66333360,EMOLS-id_36321912,PC-id_53557292,MCULE-9298599481	340.391	JLQYTLMMRLSEDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068149
FC(Cn1nc(c(c1)C(=O)N1CCCCc2c1sc(n2)C)C)F	EMOLS-id_319021962	340.391	LKESZUFMIJEKKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068150
Cc1cc(F)cc(S(=O)(=O)N2CCNC(=O)c3sccc23)c1	ZINC22_95406131,PC-id_75376051,EMOLS-id_48247982	340.393	LKMUQTPIZFABRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068151
c1(C(=O)NCCc2c[nH]c3ccc(F)cc23)c2CCCCCc2n[nH]1	STOCK7S-47837,EMOLS-id_50400604,MCULE-5341820468,ZINC22_96232661,EMOLS-id_49250054,PC-id_75490799	340.395	ZAAKLTDOPXPHQK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068152
C[C@H](CC(=O)[C@@H](C#N)c1nnc2n1CCCCC2)c1ccc(F)cc1	PC-id_94810462,ZINC22_58267075	340.395	MSZGCAHNEVJMDJ-CZUORRHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068153
C[C@@H](CC(=O)[C@@H](C#N)c1nnc2n1CCCCC2)c1ccc(F)cc1	ZINC22_58267074,PC-id_94810461	340.395	MSZGCAHNEVJMDJ-XJKSGUPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068154
C[C@@H](CC(=O)[C@H](C#N)c1nnc2n1CCCCC2)c1ccc(F)cc1	ZINC22_58267078,PC-id_94810465	340.395	MSZGCAHNEVJMDJ-BBRMVZONSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068155
C[C@H](CC(=O)[C@H](C#N)c1nnc2n1CCCCC2)c1ccc(F)cc1	ZINC22_58267080,PC-id_94810467	340.395	MSZGCAHNEVJMDJ-CJNGLKHVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068156
COC(=O)c1c(NC(=O)NCCC(=O)O)sc2c1CCCCC2	PC-id_122087755,EMOLS-id_72871373,MCULE-6845642821	340.395	ZMIIUSRFCOYTAB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068157
Fc1ccc2c(c1)ccn2CC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-3960151725,EMOLS-id_320177409	340.395	SJRBDHZAMOXRHJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068158
Fc1ccc(c2ccc(CNCc3nnc4n3CCCCC4)o2)cc1	EMOLS-id_31850655,MCULE-5549910471,PC-id_51073239,ZINC22_58264051	340.395	ZXHNLEAFKUVVQJ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-068159
Fc1ccccc1c1ccc(CNCc2nnc3n2CCCCC3)o1	CoCoCo_3989446,MCULE-9707325293,ZINC22_39979616,PC-id_45846450	340.395	OJFNOOVGRYCCNP-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-068160
Fc1ccc(C(CC(=O)C(c2n3CCCCCc3nn2)C#N)C)cc1	MCULE-3870849070,EMOLS-id_32132233,PC-id_51099365	340.395	MSZGCAHNEVJMDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068161
c1(NC(=O)c2ccc3c(OCO3)c2)sc2c(CCCCC2)c1C#N	EMOLS-id_4019787,CoCoCo_5816084,SPECS-id_AK-968/37171039,PC-id_840129,ZINC22_368999,MCULE-6951444240,TIMTEC115130	340.396	DACUWFUTYIUUPH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068162
CO/C=C/CC(n1cc(c2=CCC=C(C=c12)[N+](=O)OC)C#N)(C=C)C	PC-id_143185312	340.396	GGRKWGNHXQPMRB-YRNVUSSQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-068163
O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cc2c(s1)CCCCC2	PC-id_39969561,EMOLS-id_43959783,CoCoCo_4086958,MCULE-4931132369,ZINC22_32747885	340.396	WCQJZUGWHCNTIE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-068164
Cn1ccc([C@H](N[C@@H]2CNCc3nccn3C2)c2ccc(F)cc2)n1	ZINC22_2325783505	340.398	BVAJBQSZNLIJJQ-CRAIPNDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068165
Cn1ccc([C@H](N[C@H]2CNCc3nccn3C2)c2ccc(F)cc2)n1	ZINC22_2325783506	340.398	BVAJBQSZNLIJJQ-MAUKXSAKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068166
Cn1ccc([C@@H](N[C@@H]2CNCc3nccn3C2)c2ccc(F)cc2)n1	ZINC22_2325783507	340.398	BVAJBQSZNLIJJQ-QAPCUYQASA-N	00000000100000110101000000000010000000000000000000000000	31-01-068167
Cn1ccc([C@@H](N[C@H]2CNCc3nccn3C2)c2ccc(F)cc2)n1	ZINC22_2325783508	340.398	BVAJBQSZNLIJJQ-YJBOKZPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068168
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Cc1c[nH]c2ccccc12	PC-id_90625284	340.4	IRXMRYQHLXEMRM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068169
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Cn1ccc2ccccc12	PC-id_90625258	340.4	WNIYDSANYLOPQC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068170
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc(c1)c1nnco1	EMOLS-id_319551850	340.4	MQMNBWXFOOZFIK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068171
Cc1nc2c(s1)N(CCCC2)C(=O)c1noc(c1)c1ccncc1	EMOLS-id_319423257	340.4	JYPUKZFMIHIAMG-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-068172
Cc1nc2c(s1)N(CCCC2)C(=O)c1onc(c1)c1ccccn1	EMOLS-id_318961267	340.4	MWKLIPHAKVNGLC-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-068173
O=C(c1cscn1)N1Cc2cccn2C[C@H](Oc2cccnc2)C1	ZINC22_247873033	340.4	RPLGUOAWFSWCCG-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068174
O=C(c1cscn1)N1Cc2cccn2C[C@@H](Oc2cccnc2)C1	ZINC22_247873037	340.4	RPLGUOAWFSWCCG-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068175
O=C(N1CC(Cn2cccc2C1)Oc1cccnc1)c1cscn1	EMOLS-id_50014060	340.4	RPLGUOAWFSWCCG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068176
O=C(Nc1nc2c(s1)CCCCC2)c1cc(c2cccnc2)on1	EMOLS-id_31950619,PC-id_47034162,MCULE-7221068307,ZINC22_48235662	340.4	IHJNNNBACMBRTF-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-068177
Cc1ccccc1c1c(snn1)C(=O)N1CCCn2c(cnn2)C1	PC-id_136565783	340.403	KNZPBJFGNMUSFJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068178
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(s1)c1ncccn1	EMOLS-id_319413871	340.403	YIAWYVHIDJEWTM-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-068179
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc(n1)n1cncn1	EMOLS-id_318801497	340.403	IAEVHDUFKWGZJX-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-068180
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(nn1)n1cncc1	EMOLS-id_320298882,MCULE-2486680575	340.403	QARBOBNISBCZMD-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-068181
Cc1nc2c(s1)N(CCCC2)C(=O)c1cncc(c1)n1nncc1	EMOLS-id_318797804	340.403	QKIBZZBXEMTZRH-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-068182
Cc1nc2c(s1)N(CCCC2)C(=O)c1nnn(c1)c1cccnc1	EMOLS-id_320137707,MCULE-8522542850	340.403	GODXWMQAKQLFJB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-068183
O=C(c1ccc(n2nnnc2)cc1)Nc1sc2c(CCCCC2)n1	MCULE-4594796094,EMOLS-id_323256643	340.403	KPFUJINZXYLGLA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068184
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)c1nnsc1	EMOLS-id_316695189	340.403	CYGSRMFNQYOMGI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068185
O=C(C1CCn2c(CC1)nnc2)Nc1ncc(s1)c1ccccn1	EMOLS-id_320236086,MCULE-3361065535	340.403	ITZXBUNECIFRRV-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-068186
O=C(c1cc(n2nnnc2)ccc1)Nc1sc2c(CCCCC2)n1	EMOLS-id_323264323,MCULE-1645063184	340.403	CMLJDZQPSWUJKZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068187
O=C(N1CCCn2c(C1)cnn2)c1cccc(c1)Nc1nccs1	EMOLS-id_316971700	340.403	ACGAPVHCLTWJKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068188
O=C(N1CCCc2c(C1)cnn2C)NCC1CCCCC(C1)(F)F	EMOLS-id_101696123	340.411	RJLIHUCNEWVRDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068189
COC(=O)/C=C(c1c2-c(c(c1C)C)c(C)cc(cc2C)C)/C(=O)OC	CoCoCo_5734245,NSC668419,PC-id_5468315	340.413	OIXVGVJMLRRSIB-MHWRWJLKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068190
COC(=O)/C=C(/c1c2-c(c(c1C)C)c(C)cc(cc2C)C)C(=O)OC	NSC668418,CoCoCo_5734244	340.413	OIXVGVJMLRRSIB-YBEGLDIGSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068191
COC(=O)/C=C(c1cc(c2-c1c(C)ccc(c2)C(C)C)C)/C(=O)OC	CoCoCo_5734247,PC-id_11035209	340.413	XEKBMEPRVKNNFU-WOJGMQOQSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068192
COC(=O)/C=C(/c1cc(c2-c1c(C)ccc(c2)C(C)C)C)C(=O)OC	NSC668420,CoCoCo_5734246	340.413	XEKBMEPRVKNNFU-WQRHYEAKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068193
O(C(=O)C(=CC(=O)OC)c1c2-c(c(c1C)C)c(cc(cc2C)C)C)C	PC-id_381606	340.413	OIXVGVJMLRRSIB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068194
O(C(=O)C(=CC(=O)OC)c1c2-c(c(c1)C)cc(C(C)C)ccc2C)C	PC-id_381607	340.413	XEKBMEPRVKNNFU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068195
c1(NC(=O)C=Cc2ccc(F)cc2)sc2c(CCCCC2)c1C#N	MCULE-8525987112,PC-id_1221107	340.414	VOCZEQDEGDUZOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068196
Fc1ccc(/C=C/C(=O)Nc2sc3CCCCCc3c2C#N)cc1	SPECS-id_AK-968/12116297,EMOLS-id_45936427,ZINC22_996359,CoCoCo_5817075,PC-id_1221108,TIMTEC505966	340.414	VOCZEQDEGDUZOQ-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068197
N#Cc1c(NC(=O)/C=Cc2ccc(cc2)F)sc2c1CCCCC2	PC-id_92897211,CoCoCo_5817076	340.414	VOCZEQDEGDUZOQ-FLIBITNWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068198
Cc1ccc(C)c(N(C(=O)c2coc3c2C(=O)NCCC3)C(C)C)c1	PC-id_136569836,ZINC22_903052508	340.416	BDCKAQSNDPUCOT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068199
CC1OCC(N(C1)C(=O)c1noc2c1CCCCC2)c1ccccc1	EMOLS-id_111424440	340.416	AJCSTEJNMNXPDE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068200
CC(C)N(C(=O)c1coc2c1C(=O)NCCC2)[C@@H](C)c1ccccc1	ZINC22_905739093	340.416	LAQDAQFKVQICQI-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068201
CC(C)N(C(=O)c1coc2c1C(=O)NCCC2)[C@H](C)c1ccccc1	ZINC22_905739094	340.416	LAQDAQFKVQICQI-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068202
CC(N(C(=O)c1coc2c1C(=O)NCCC2)C(c1ccccc1)C)C	PC-id_139019305,EMOLS-id_317743269,MCULE-5245908448	340.416	LAQDAQFKVQICQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068203
CCOc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)c1noc2c1CCCCC2	EMOLS-id_100958181	340.416	UMRGEAFIVHIJRA-DLBZAZTESA-N	00100000100000110101100000000010000000000000000000000000	31-01-068204
CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCCc3occc3C2)cc1	EMOLS-id_177255031,ZINC22_585085262,MCULE-9485320000	340.416	DVJXLIAHNCTNMY-ZWKOTPCHSA-N	00100000100000110100100000000010000000000000000000000000	31-01-068205
COc1ccc(cc1)C(C1CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100942065	340.416	UUPXMNVPRFDNTO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-068206
Oc1ccc(cc1)C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111824455	340.416	XRPFYJDSRCIPTM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068207
O=C(c1noc2c1CCCCC2)N1CCC[C@H]1COc1ccccc1	EMOLS-id_101300961,ZINC22_333027625,MCULE-5143898378	340.416	AZQHRODLLDUVPX-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068208
O=C(c1noc2c1CCCCC2)N1CCOC(C1)Cc1ccccc1	EMOLS-id_100172153	340.416	VGHKEDCQCFPPEW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-068209
O=C(c1noc2c1CCCCC2)Nc1ccccc1OC1CCCC1	EMOLS-id_100940322	340.416	GRZMZCIXFNADMC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068210
O=C(c1noc2c1CCCCC2)NC(c1ccccc1)C1CCOC1	MCULE-9685292405,EMOLS-id_101028853	340.416	LCHHGPTZCWCBLA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068211
O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1noc2c1CCCCC2	ZINC22_333320713	340.416	LCHHGPTZCWCBLA-CRAIPNDOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068212
O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1noc2c1CCCCC2	ZINC22_333320715	340.416	LCHHGPTZCWCBLA-MAUKXSAKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068213
O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1noc2c1CCCCC2	ZINC22_333320718	340.416	LCHHGPTZCWCBLA-QAPCUYQASA-N	00000010100000110101000000000010000000000000000000000000	31-01-068214
O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1noc2c1CCCCC2	ZINC22_333320721	340.416	LCHHGPTZCWCBLA-YJBOKZPZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068215
Cc1ccc(s1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_112072093	340.418	DHZFIVGKDNJQPB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068216
COC(=O)C1(CC=CS1)OCC1NOc2c(C(=C1)N)scc2	PC-id_70299209,SCHEMBL8194370	340.418	GKNMMRXZOKFROW-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-068217
Fc1ccc(c2[nH]ncc2C[NH2+]Cc2n[nH]c3c2CCCCC3)cc1	PC-id_52395234	340.418	ZOQCVHDFBWECMQ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-068218
O=C(CNS(=O)(=O)c1cccs1)N1CCCc2occc2C1	EMOLS-id_316824032,ZINC22_290577951,MCULE-7997846843	340.418	JHHWYTKDJISJGX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-068219
c12CN(CCCn1nc(CO)c2)Cc1ccc(cc1)N1CCCC1=O	PC-id_91760612,EMOLS-id_55604548,MCULE-2636967742	340.419	QMDOAESCLZYUKF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068220
c12C(=O)NCC(C)(C)Cc1[nH]c(CC(=O)Nc1ccc(cc1C)C)n2	ZINC22_65528789,EMOLS-id_32435464,PC-id_50983794,MCULE-9052865418	340.419	VHLVAKMMNVSWJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068221
c12C(=O)N(CCCn1nc(C(=O)NCCC)c2)Cc1ccc(cc1)C	MCULE-2001729218,PC-id_16028677,EMOLS-id_32846114,CHEMBL1355103	340.419	CNWFIXQZZFTAEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068222
c12C(=O)N(CCCn1nc(C(=O)NC(C)C)c2)Cc1cccc(C)c1	PC-id_53034563,MCULE-2752827969,EMOLS-id_32633124	340.419	GQHRLCVAQKXNDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068223
c12C(=O)N(CCCn1nc(C(=O)NCCC)c2)Cc1cccc(C)c1	PC-id_53034564,MCULE-6311222185,EMOLS-id_32633126	340.419	RYMMTBYQXNMAON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068224
c12C(=O)N(CCCn1nc(C(=O)NCCCC)c2)Cc1ccccc1	MCULE-1123255942,EMOLS-id_32846034,PC-id_50798061	340.419	ITIGBUBHCYRGPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068225
C1(c2ccc(cc2)OC)(CC1)C(=O)NC1CCc2n(c(nn2)C)CC1	MCULE-1222626678,PC-id_91910728,EMOLS-id_50590199	340.419	IRFHFHQEYGYPJE-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-068226
C1CC1Cn1c(=O)n2CCN(CCc2n1)Cc1cc2c(cc1)OCC2	PC-id_91922465	340.419	ABUONLLMWAKCDU-UHFFFAOYSA-N	00100010100000100101000000001010000000000000000000000000	31-01-068227
c1(cc2CCCc2[nH]c1=O)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	MCULE-8555243174,PC-id_77086051,EMOLS-id_49879508,ZINC22_215556072	340.419	QNNNBGLQZCBOJV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068228
C1=C(CN2Cc3ccnn3CC[C@@H]2COc2cccnc2)COCC1	ZINC22_585097134	340.419	HSEOVVNNUCVXQO-GOSISDBHSA-N	00000000100011101101000000000010000000000000000000000000	31-01-068229
C1=C(CN2Cc3ccnn3CC[C@H]2COc2cccnc2)COCC1	ZINC22_585097137	340.419	HSEOVVNNUCVXQO-SFHVURJKSA-N	00000000100011101101000000000010000000000000000000000000	31-01-068230
c1(C(=O)N2CCC(O)C2)cc2n(CCCN(Cc3ccccc3)C2)n1	EMOLS-id_36432808,MCULE-9252474972,PC-id_56706603	340.419	QWUNEEVDOWVFOS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068231
c1(C(=O)Nc2ccccc2N2CCOCC2)c2CCCCCc2[nH]n1	MCULE-2269868660,EMOLS-id_335065017	340.419	UZKNIQYRNYERJD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068232
c1(C(=O)Nc2ccc(cc2)NC(=O)C(C)C)c2CCCCCc2[nH]n1	EMOLS-id_335075004,MCULE-9115152472	340.419	GZSCDXZVRREZGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068233
c1(C(=O)NCc2cc3CCCc3cc2OC)cn2c(CCNCC2)n1	EMOLS-id_330466306,MCULE-2980068838,ZINC22_1857719075	340.419	CDIJCZIAPOHURR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068234
c1(C(=O)NCCO)cc2n(CCCN(CC=Cc3ccccc3)C2)n1	MCULE-2269971339,PC-id_72075847	340.419	MXMNDRRFAWQSJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068235
Cc1cccc(c1)C(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97405188	340.419	MDEXWTZBRNAZJF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-068236
Cc1ccccc1C(=O)N1CCCn2nnc(COCC3CC3)c2C1	EMOLS-id_44369478,ZINC22_96256081,PC-id_97517037	340.419	OZBXOHXFMGMREU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-068237
Cc1ccc(cc1)C(=O)N1CCCn2nnc(COCC3CC3)c2C1	ZINC22_96084362,EMOLS-id_46181731,PC-id_97405189	340.419	QAVHQISDUIOJBH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-068238
Cc1ccc(CC(=O)N2CCc3nn(CC4CC4)c(=O)n3CC2)cc1	PC-id_91910672,MCULE-3207850424,EMOLS-id_50585729	340.419	AXFLWZGCKSZRHX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-068239
Cc1ccc(cn1)C(=O)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_313724634	340.419	ARQNMBPCCZRJQC-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068240
Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](COCC3CC3)C2)cn1	ZINC22_2055713184	340.419	ARQNMBPCCZRJQC-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068241
Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](COCC3CC3)C2)cn1	ZINC22_2055713185	340.419	ARQNMBPCCZRJQC-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068242
Cc1ccc(NC(=O)Cn2cc3c(n2)CC(C)(C)CNC3=O)cc1C	ZINC22_634559510,MCULE-5431056515,EMOLS-id_316990276	340.419	UWXUGQVZUQQWHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068243
Cc1ccnc(c1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111436801	340.419	CXQDYUHPWLHTED-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-068244
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)C(=O)NC(C)C	EMOLS-id_319671698	340.419	NWUDINYWDLWJBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068245
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1N1CCOCC1	EMOLS-id_319530886	340.419	RPROPCUIJPIJMX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068246
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)NC(=O)C(C)C	EMOLS-id_318855310	340.419	GBWJNDHUGWJJGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068247
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(NC(=O)c1ccccc1)C	EMOLS-id_318918538	340.419	PFQCIPOZIUBRIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068248
CCc1ccccc1NC(=O)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318329729	340.419	NASPPWGFEZZVJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068249
CCCCC(=O)Nc1cccc(c1)C(=O)N1CCCn2cncc2C1	PC-id_56889507,MCULE-5064194406,EMOLS-id_43087603,ZINC22_72138832	340.419	CYMVIQXIUHNVOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068250
CCC(C)NC(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_30562363,MCULE-7804534918,PC-id_46261005	340.419	OCWSOAPURJNQJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068251
CCCC(=O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	ZINC22_67725581,PC-id_56707370,EMOLS-id_36434434,MCULE-3183235260	340.419	LDTXUYHBRBGBDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068252
CCCN1CC(=O)N(CCC)c2ncn(Cc3ccccc3)c2C1=O	CHEMBL92981,PC-id_14739437,BindingDB_PC-id_14739437	340.419	RBVNIZINCDKLDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068253
CCCNC(=O)c1cccc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318181401	340.419	JJYXUSYPPWVFQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068254
CCCNC(=O)c1cccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319126423	340.419	MSJOAMJGZOWVQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068255
C=CCOc1cccc(c1)C(=O)N1CCn2c(CC1)nnc2C(C)C	CoCoCo_1551292,ChEMBL-DNDi_CHEMBL76861836	340.419	AMPNNGFZJRIHFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068256
C=CCOCC1CN(Cc2nccn2C1)C(=O)NCc1ccccc1	EMOLS-id_44325891	340.419	LBCVTIWLTRXDHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068257
C=CCOC[C@H]1CN(C(=O)NCc2ccccc2)Cc2nccn2C1	PC-id_97462309,ZINC22_96187858	340.419	LBCVTIWLTRXDHB-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068258
C=CCOC[C@@H]1CN(C(=O)NCc2ccccc2)Cc2nccn2C1	PC-id_97462310,ZINC22_96187859	340.419	LBCVTIWLTRXDHB-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068259
C[C@H]1Cc2cc(NC(=O)CCc3cc4n(n3)CCCNC4)ccc2O1	PC-id_95873241,ZINC22_72431985	340.419	SOUFKKRCUKSFPH-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068260
C[C@@H]1Cc2cc(NC(=O)CCc3cc4n(n3)CCCNC4)ccc2O1	ZINC22_72431984,PC-id_95873240	340.419	SOUFKKRCUKSFPH-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068261
C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2nnc3n2CCCCC3)o1	PC-id_95191134,ZINC22_67508177	340.419	ZPNSPSXTXPGHAW-GMTGPXDGSA-N	00100000101000000101100000000010000000000000000000000000	31-01-068262
C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2nnc3n2CCCCC3)o1	ZINC22_67508178	340.419	ZPNSPSXTXPGHAW-VYPOOZAYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-068263
C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2nnc3n2CCCCC3)o1	ZINC22_67508179,PC-id_95191136	340.419	ZPNSPSXTXPGHAW-ICGPHACGSA-N	00100000101000000101100000000010000000000000000000000000	31-01-068264
C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2nnc3n2CCCCC3)o1	ZINC22_67508180	340.419	ZPNSPSXTXPGHAW-LRGSNQRWSA-N	00100000101000000101100000000010000000000000000000000000	31-01-068265
CCN(C(=O)c1cccc(c1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319273034	340.419	ZMCRSERQPGVYTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068266
Cn1c(=O)n2CCN(CCc2n1)C(=O)C1(CCCC1)c1ccccc1	PC-id_91922384	340.419	IOFLWWGYVFBERY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068267
CN(Cc1ccco1)Cc1cnc2CCN(Cc3ccco3)CCn12	EMOLS-id_44329099,ZINC22_96197089,PC-id_97467233	340.419	OXALRNRBDHYANR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068268
CN(C(=O)c1n[nH]c2c1CCCCC2)[C@@H](CC(=O)N)c1ccccc1	ZINC22_253432280	340.419	XREKFVIMOSZWBY-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068269
CN(C(=O)c1n[nH]c2c1CCCCC2)[C@H](CC(=O)N)c1ccccc1	ZINC22_253432284	340.419	XREKFVIMOSZWBY-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068270
COc1ccc2c(c1NC(=O)N1CCCc3c(cnn3C)C1)CCC2	ZINC22_669367482,EMOLS-id_316208941,MCULE-6772843725	340.419	SMEZTRIOOMQKIM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068271
COc1cccc2cc(CNCCc3nnc4n3CCCCC4)oc12	PC-id_56824280,MCULE-1113051186,EMOLS-id_36945182,ZINC22_67698037	340.419	ZSRRFBGRJVCKAP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068272
COc1ccccc1C1CCCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319617421	340.419	MHQZZONJIXRLQJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068273
COc1ccccc1C1CCN(C1)C(=O)C1CCn2c(CC1)nnc2	MCULE-9834381824,EMOLS-id_320193339	340.419	SOHDXFMZPSXSCK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068274
COc1cccc(c1)C1(CNC(=O)C2CCn3c(CC2)nnc3)CC1	EMOLS-id_316665429	340.419	JCQQJHCKLDPKPB-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-068275
COc1ccc(cc1)CCCC1=Nc2c(n[nH]c2C(=O)NC1)C(C)C	PC-id_69991370,SCHEMBL7108825	340.419	STZWBKLLDLDMEC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068276
COc1ccc(cc1)N(C(=O)C1CCn2c(CC1)nnc2)CC1CC1	EMOLS-id_278171236	340.419	JAOIUFSXVSLESK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-068277
COc1cccc(C2(C(=O)NCc3nnc4n3CCCCC4)CC2)c1	ZINC22_366999067,MCULE-6670920915,PC-id_138997030,EMOLS-id_320312317	340.419	ZJGGMGQCVAYJNU-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-068278
C(Oc1cccnc1)C1CCn2nccc2CN1CC1=CCCOC1	EMOLS-id_313744310	340.419	HSEOVVNNUCVXQO-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-068279
CO[C@@H]1[C@H](NC(=O)N2CCCc3c(C2)cnn3C)Cc2c1cccc2	EMOLS-id_101692265	340.419	YCUGBIOYUGIUNQ-AEFFLSMTSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068280
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)C1CCCC1	MCULE-9488941069,EMOLS-id_239629149	340.419	TXGBOHUDTOUUSX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068281
n1c(CCc2ccccc2)nn2CCN(C(=O)[C@H]3CCCO3)CCc12	MCULE-6144542053,ZINC22_2100542633,EMOLS-id_337673940	340.419	BHWCUBKNAPVMOH-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068282
NC(=O)CC(N(C(=O)c1n[nH]c2c1CCCCC2)C)c1ccccc1	EMOLS-id_73043602,PC-id_121535627,MCULE-4325377975	340.419	XREKFVIMOSZWBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068283
o1c(C2C(C2)C)ccc1C=CC(=O)NCc1n2CCCCCc2nn1	EMOLS-id_36261887,PC-id_72158113,MCULE-4260605726	340.419	ZPNSPSXTXPGHAW-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-068284
o1c(C2C(C2)C)ccc1/C=C/C(=O)NCc1n2CCCCCc2nn1	PC-id_53527663	340.419	ZPNSPSXTXPGHAW-VQHVLOKHSA-N	00100000101000000101100000000010000000000000000000000000	31-01-068285
O1C(C(c2c1c(ccc2)C(=O)NCc1n2CCCCCc2nn1)C)C	PC-id_24676714	340.419	ZQKFCPAZRCMYPW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068286
O1C(Cc2c1ccc(NC(=O)CCc1nn3CCCNCc3c1)c2)C	PC-id_70746621,EMOLS-id_43129559,MCULE-5512732717	340.419	SOUFKKRCUKSFPH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068287
O1C(CCC1)C(=O)N1CCn2c(nnc2CCc2ccccc2)CC1	PC-id_76406092	340.419	BMDKCPHAJISNTB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068288
O1[C@H](CCC1)C(=O)N1CCn2c(nnc2CCc2ccccc2)CC1	PC-id_56717536	340.419	BMDKCPHAJISNTB-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068289
Oc1ccc(cc1)C1(CC1)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318819512	340.419	VRHZMSWTLMZIKA-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-068290
Oc1ccc(cc1)C1(CC1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_319670547	340.419	WFIURMGNAPQBMK-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-068291
O=C1N(CCc2[nH]c(nc2C1=Cc1cc(c(OC)c(c1)C)C)NC)C	PC-id_49836963	340.419	URELIKDOIRVHDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068292
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C)Cc1ccc(cc1)C	PC-id_16028675,CHEMBL1515619	340.419	VFIJYXJRWBGBGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068293
O=C(c1cc2n(n1)CCCN(Cc1ccccc1)C2)N1CC[C@@H](O)C1	PC-id_95203069,ZINC22_67695794	340.419	QWUNEEVDOWVFOS-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068294
O=C(c1cc2n(n1)CCCN(Cc1ccccc1)C2)N1CC[C@H](O)C1	ZINC22_67695792,PC-id_95203068	340.419	QWUNEEVDOWVFOS-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068295
O=C(c1cccc2c1COC2)NCCCc1nnc2n1CCCCC2	MCULE-2314507589,EMOLS-id_320160691	340.419	QPOLHIPSZOUUJS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068296
O=C(c1ccc(OCc2nnc3n2CCCCC3)cc1)N1CCCC1	PC-id_136537832,ZINC22_278550133,MCULE-5501189043,EMOLS-id_316911932	340.419	BICRYXZTGCWXNE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068297
O=C(C1CCn2c(CC1)nnc2)NCC1(CC1)C(c1ccccc1)O	MCULE-9122381706,EMOLS-id_320093923	340.419	OAFKANATKMDRLR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-068298
O=C(C1CCn2c(CC1)nnc2)NCc1ccccc1OCC1CC1	MCULE-2802935516,EMOLS-id_320179011	340.419	JMSCKECZXGBALH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-068299
O=C(C1CCn2c(CC1)nnc2)NCCOc1ccc2c(c1)CCC2	EMOLS-id_320218300,MCULE-5332857241	340.419	FIFSNGWIWPBNOP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068300
O=C(c1noc2c1CCCCC2)N1CCN(CC1)Cc1ccncc1	EMOLS-id_100938066	340.419	BSLUBOYGLNITLU-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068301
O=C(CC1CC1)N1Cc2ccnn2C[C@H](COCc2ccccn2)C1	PC-id_97463592,ZINC22_96189183	340.419	RNOQFSLRZVRARH-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068302
O=C(CC1CC1)N1Cc2ccnn2C[C@@H](COCc2ccccn2)C1	ZINC22_96189182,PC-id_97463591	340.419	RNOQFSLRZVRARH-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068303
O=C(CC1CC1)N1Cc2cncn2C[C@@H](COCc2ccccn2)C1	PC-id_97477477,ZINC22_96209350	340.419	MYNBVZHSJLZLNX-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068304
O=C(CC1CC1)N1Cc2cncn2C[C@H](COCc2ccccn2)C1	ZINC22_96209351,PC-id_97477478	340.419	MYNBVZHSJLZLNX-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068305
O=C(CC1CC1)N1Cc2cncn2C[C@H](COCc2ccncc2)C1	PC-id_97474718,ZINC22_96206556	340.419	IZBWAKHMKFHIHM-QGZVFWFLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068306
O=C(CC1CC1)N1Cc2cncn2C[C@@H](COCc2ccncc2)C1	ZINC22_96206555,PC-id_97474717	340.419	IZBWAKHMKFHIHM-KRWDZBQOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068307
O=C(CC1CC1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1	PC-id_97462601,ZINC22_96188158	340.419	KMBDJQQENFSZQA-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068308
O=C(CC1CC1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1	ZINC22_96188153,PC-id_97462596	340.419	KMBDJQQENFSZQA-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068309
O=C(CC1CC1)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1	PC-id_97462530,ZINC22_96188085	340.419	WIAYSRKVPOVCFK-QGZVFWFLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068310
O=C(CC1CC1)N1Cc2nccn2C[C@H](COCc2cccnc2)C1	ZINC22_96188087,PC-id_97462532	340.419	WIAYSRKVPOVCFK-KRWDZBQOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068311
O=C(CC1CC1)N1CC(COCc2ccccn2)Cn2ccnc2C1	EMOLS-id_44326055	340.419	KMBDJQQENFSZQA-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068312
O=C(CC1CC1)N1CC(COCc2ccccn2)Cn2cncc2C1	EMOLS-id_49233153	340.419	MYNBVZHSJLZLNX-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068313
O=C(CC1CC1)N1CC(COCc2ccccn2)Cn2nccc2C1	EMOLS-id_44327137	340.419	RNOQFSLRZVRARH-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068314
O=C(CC1CC1)N1CC(COCc2cccnc2)Cn2ccnc2C1	EMOLS-id_44326025	340.419	WIAYSRKVPOVCFK-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068315
O=C(CC1CC1)N1CC(COCc2ccncc2)Cn2cncc2C1	EMOLS-id_49228767	340.419	IZBWAKHMKFHIHM-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068316
O=C(Cc1ccc2c(c1)CCO2)NCCc1nnc2n1CCCCC2	MCULE-7817718699,ZINC22_42766216,EMOLS-id_276244180	340.419	WTPZWRSHTPONPR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068317
O=C(Cc1ccccn1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	PC-id_97463530,ZINC22_96189115	340.419	VESNUJFQIWQOSZ-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068318
O=C(Cc1ccccn1)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_96189114,PC-id_97463529	340.419	VESNUJFQIWQOSZ-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068319
O=C(Cc1ccccn1)N1Cc2cncn2C[C@@H](COCC2CC2)C1	PC-id_97476168,ZINC22_96208041	340.419	YRLRTQLVTBEPIK-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068320
O=C(Cc1ccccn1)N1Cc2cncn2C[C@H](COCC2CC2)C1	ZINC22_96208040,PC-id_97476167	340.419	YRLRTQLVTBEPIK-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068321
O=C(Cc1ccccn1)N1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49231063	340.419	YRLRTQLVTBEPIK-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068322
O=C(Cc1ccccn1)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_44327047	340.419	VESNUJFQIWQOSZ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068323
OC(CN1CC(C)Cc2c(C1)cn[nH]2)COc1cccc2c1cc[nH]2	MCULE-8066770710,EMOLS-id_319943522	340.419	INAMXRDVPGLSGH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068324
O=C(Cn1nc2c(c1)C(=O)NCC(C2)(C)C)Nc1cc(C)cc(c1)C	EMOLS-id_318163693	340.419	ZZMIWZIRHXJUFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068325
O=C(Cn1nc2c(c1)C(=O)NCC(C2)(C)C)NCc1cccc(c1)C	EMOLS-id_318159379	340.419	UXEVKKFWQZGFHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068326
O=C(Cn1nc2n(c1=O)CCCCC2)N(Cc1ccccc1)C1CC1	MCULE-9933567324,ZINC22_30803808,PC-id_37947991,EMOLS-id_45748351	340.419	PKCUQYNKIRIIHH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-068327
OCCNC(=O)c1cc2CN(C/C=C/c3ccccc3)CCCn2n1	EMOLS-id_44853237,PC-id_50964747,ZINC22_65406216	340.419	MXMNDRRFAWQSJN-XBXARRHUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068328
O=C(COc1ccc2c(c1)CCC2)NCc1nnc2n1CCCCC2	EMOLS-id_31328678,ZINC22_25409509,MCULE-4869988537,PC-id_24646554	340.419	JMRDRDUJFLQPCX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068329
O=C(N1CCCc2c(C1)cnn2C)c1ccc(cc1)N1CCOCC1	EMOLS-id_101671304	340.419	AJRQPSFKRCFHSX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068330
O=C(N1CCCc2c(C1)cnn2C)c1ccc(nc1)OC1CCCC1	EMOLS-id_101674832	340.419	CYRJBRXEFZCNRO-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068331
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)CC(O2)(C)C	EMOLS-id_101957276	340.419	FRJUDRLELZKUIP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068332
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(cc1)C1COCC1	EMOLS-id_101855902	340.419	WFEMWUKKVYLNMB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068333
O=C(N1CCCc2n[nH]cc2C1)C1(Oc2ccccc2)CCNCC1	ZINC22_2325756592	340.419	JYVXZXNKINBRPJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-068334
O=C(N1CCOC(C1)(C)c1ccccc1)C1CCn2c(CC1)nnc2	MCULE-4314336001,EMOLS-id_320203599	340.419	IRDSDBZDCXTTMP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068335
O=C(Nc1cccc(c1C)C)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318287434	340.419	QZYMREQZHYBJAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068336
O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)C1(O)CCC1	PC-id_121549079,EMOLS-id_75980560,MCULE-3820493021,ZINC22_187522937	340.419	VKSTZHUEZQFUEO-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-068337
O=C(N(Cc1ccccc1)C)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_316446320,MCULE-4684812878	340.419	UDVBAQYRSYPQMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068338
O=C(NCc1nnc2n1CCCCC2)/C=Cc1ccc(o1)[C@H]1C[C@H]1C	PC-id_97510497	340.419	ZPNSPSXTXPGHAW-NQSJFCTJSA-N	00100000101000000101100000000010000000000000000000000000	31-01-068339
O=C(NCCc1n2CCCCCc2nn1)/C=C/c1ccc(OC)cc1	PC-id_51307434	340.419	PHXCMXMSRQTXQO-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068340
O=C(NCCc1n2CCCCCc2nn1)C=Cc1ccc(OC)cc1	PC-id_75625033	340.419	PHXCMXMSRQTXQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068341
O=C(NCCc1n2CCCCCc2nn1)/C=C/c1cc(OC)ccc1	PC-id_51307456	340.419	IJDAOBQSGZVRTF-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068342
O=C(NCCc1n2CCCCCc2nn1)C=Cc1cc(OC)ccc1	PC-id_75625036	340.419	IJDAOBQSGZVRTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068343
O=C(NCCc1n2CCCCCc2nn1)CCC(=O)c1ccccc1	PC-id_51304474	340.419	WJBJVSKVGSHULS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068344
O=C(O)[C@@]1(c2ccccc2)CCN(Cc2nnc3n2CCCCC3)C1	ZINC22_568073846	340.419	OCXPUBPPHISMFQ-IBGZPJMESA-N	00000010100000110101100000000010000000000000000000000000	31-01-068345
O=C(O)[C@]1(c2ccccc2)CCN(Cc2nnc3n2CCCCC3)C1	ZINC22_568073847	340.419	OCXPUBPPHISMFQ-LJQANCHMSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068346
OC(=O)C1CC[C@H](N1Cc1nnc2n1CCCCC2)c1ccccc1	MCULE-3931771995,EMOLS-id_318189529	340.419	KBWHLBULHRZJRM-VYRBHSGPSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068347
OC(=O)C1(CCN(C1)Cc1nnc2n1CCCCC2)c1ccccc1	EMOLS-id_316914872,MCULE-6726770133	340.419	OCXPUBPPHISMFQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068348
O=C(O)[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@@H]1c1ccccc1	EMOLS-id_316914107,MCULE-3296772753,ZINC22_574645038	340.419	QURQSQNHYOGOSE-HZPDHXFCSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068349
OC(=O)[C@@H]1CN(C[C@H]1c1ccccc1)Cc1nnc2n1CCCCC2	MCULE-5051565841,EMOLS-id_320160968	340.419	QURQSQNHYOGOSE-JKSUJKDBSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068350
Cc1ncc(s1)S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2	MCULE-2412011297,PC-id_146081423,EMOLS-id_112063720	340.421	ILZCIWUHLRTAID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068351
n12CCCCCc1nnc2C(=Cc1ccc(cc1)c1ccccc1)C#N	PC-id_4809593,EMOLS-id_26092879,MCULE-2681959599	340.421	OLSUOTXKWVECBL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068352
n12CCCCCc1nnc2/C(=C/c1ccc(cc1)c1ccccc1)/C#N	PC-id_6213822,CoCoCo_3456361	340.421	OLSUOTXKWVECBL-HMMYKYKNSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068353
N#C/C(=C/c1ccc(cc1)c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3456362	340.421	OLSUOTXKWVECBL-HKWRFOASSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068354
O=C(c1ccsc1S(=O)(=O)N)N1CCCc2c(C1)cnn2C	EMOLS-id_318859127	340.421	HSLSNVHJKXLDJA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068355
O=C(c1cnn(c1S(=O)(=O)N)C)N1CCCc2c(C1)ccs2	EMOLS-id_319845135	340.421	AWHROFRMUOERJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068356
c12CN(CCCn1nc(CNc1cc(C)ncn1)c2)C(=O)C1CCC1	ZINC22_82121906,PC-id_70754386,EMOLS-id_44440937,MCULE-8879350323	340.423	SDMNDMDOMYYYNO-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-068357
c12CN(CCCn1nc(CNc1ccnc(C)n1)c2)C(=O)C1CCC1	EMOLS-id_44424681,PC-id_70708303,MCULE-5435393397,ZINC22_82087451	340.423	YMQBEDJKZMALDU-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-068358
c1(C(=O)Nc2ccc(nc2)N2CCCCC2)cn2c(CCNCC2)n1	EMOLS-id_330496545,ZINC22_1857726598,MCULE-1008424115	340.423	YUADECNCCSZQRT-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-068359
c1(C(=O)NCCc2nc(C)c3c(CCC3)n2)cc2n(CCCNC2)n1	ZINC22_65431092,PC-id_50970664,MCULE-2553933675,EMOLS-id_32410804	340.423	QSGUHEULQLHEJA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068360
Cc1cc2nc(cc(=O)n2[nH]1)CN(C)Cc1n[nH]c2c1CCCCC2	PC-id_91835061	340.423	XVXCKYODSHJXFH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068361
Cc1cc2[nH]c(CN(C)Cc3n[nH]c4c3CCCCC4)cc(=O)n2n1	MCULE-1017214099,EMOLS-id_55648675,ZINC22_334159586	340.423	GFTATOKTGPZFCA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068362
Cc1cccc(c1)C1CCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158941	340.423	IYGAXZNKXMQJDK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068363
Cc1ccc(cc1)C1CCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183261	340.423	MJGRKEAAVWTOIU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068364
Cc1cccc(c1)C1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102167098	340.423	TWWOPPAMCMXYML-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068365
CC1(CCC=CC1)C(=O)N1CCc2nnc(Cn3cccn3)n2CC1	EMOLS-id_313725915	340.423	QRHUDVKCYRAODA-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-068366
CC1(CCC=CC1)C(=O)N1CCCn2c(Cn3ccnc3)nnc2C1	EMOLS-id_313731029	340.423	ABGCDDSOYNQATI-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-068367
CC1(CCC=CC1)C(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_313723612	340.423	HBJZJXLLDOXLIS-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-068368
Cc1cccc(CN2CCCn3c(CN4CCCC4=O)nnc3C2)n1	ZINC22_96259629,PC-id_97519711,CHEMBL3554047,EMOLS-id_44370806	340.423	IEXGMYYYNMCSTK-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068369
CC1CC(CN1C(=O)NC1CCn2c(CC1)nnn2)c1ccccc1	EMOLS-id_102163339	340.423	OSSZRJCMZATHIL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068370
Cc1ccc(NCc2cnc3CCN(CCn23)C(=O)CC2CC2)nn1	ZINC22_96197137,EMOLS-id_44329193,PC-id_97467279	340.423	PKBXYNVCHGFIQJ-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-068371
Cc1ccc(o1)c1[nH]ncc1CNCCc1nnc2n1CCCCC2	MCULE-6165108031,EMOLS-id_51385975,PC-id_121844180	340.423	OTKFHURHAQANNF-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-068372
CC1CC(N(C1)C(=O)NC1CCn2c(CC1)nnn2)c1ccccc1	EMOLS-id_102161149	340.423	UNFLXXFMRRROQX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068373
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCN(C1)c1ncccn1	EMOLS-id_319209622	340.423	WBYUFSRZZCJRLN-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-068374
C[C@@]1(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)CC=CCC1	ZINC22_1565545480	340.423	HBJZJXLLDOXLIS-CRAIPNDOSA-N	00000000100011000101000000000010000000000000000000000000	31-01-068375
C[C@@]1(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)CC=CCC1	ZINC22_1565545481	340.423	HBJZJXLLDOXLIS-MAUKXSAKSA-N	00000000100011000101000000000010000000000000000000000000	31-01-068376
C[C@]1(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)CC=CCC1	ZINC22_1565545482	340.423	HBJZJXLLDOXLIS-QAPCUYQASA-N	00000000100011000101000000000010000000000000000000000000	31-01-068377
C[C@]1(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)CC=CCC1	ZINC22_1565545483	340.423	HBJZJXLLDOXLIS-YJBOKZPZSA-N	00000000100011000101000000000010000000000000000000000000	31-01-068378
C[C@@]1(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)CC=CCC1	ZINC22_2055713448	340.423	QRHUDVKCYRAODA-GOSISDBHSA-N	00000000100011000101000000000010000000000000000000000000	31-01-068379
C[C@]1(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)CC=CCC1	ZINC22_2055713449	340.423	QRHUDVKCYRAODA-SFHVURJKSA-N	00000000100011000101000000000010000000000000000000000000	31-01-068380
C[C@@]1(C(=O)N2CCCn3c(nnc3Cn3ccnc3)C2)CC=CCC1	ZINC22_1565554541	340.423	ABGCDDSOYNQATI-GOSISDBHSA-N	00000000100011000101000000000010000000000000000000000000	31-01-068381
C[C@]1(C(=O)N2CCCn3c(nnc3Cn3ccnc3)C2)CC=CCC1	ZINC22_1614936536	340.423	ABGCDDSOYNQATI-SFHVURJKSA-N	00000000100011000101000000000010000000000000000000000000	31-01-068382
Cc1nc(C)n(CC2CN(Cc3nccn3C2)C(=O)C2CC=CC2)n1	EMOLS-id_44326559	340.423	RALPSVNTOMABLA-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-068383
Cc1nc(C)n(C[C@@H]2CN(C(=O)C3CC=CC3)Cc3nccn3C2)n1	PC-id_97463148,ZINC22_96188715	340.423	RALPSVNTOMABLA-HNNXBMFYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-068384
Cc1nc(C)n(C[C@H]2CN(C(=O)C3CC=CC3)Cc3nccn3C2)n1	ZINC22_96188714,PC-id_97463147	340.423	RALPSVNTOMABLA-OAHLLOKOSA-N	00000011100000000101000000000010000000000000000000000000	31-01-068385
CCC1(CN(C1)C(=O)NC1CCn2c(CC1)nnn2)c1ccccc1	EMOLS-id_102107069	340.423	PBBNHXSMPJKGAD-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-068386
CC(C)(C)c1cc2c(=O)n(Cc3nnc4n3CCCCC4)ccn2n1	EMOLS-id_317052996,MCULE-1446748543,ZINC22_1775992416	340.423	SFEFFBOFRDZADO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068387
CCC(CC)n1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)n1	ZINC22_676247377	340.423	YMBCLXYZKPFVTL-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068388
CCC(CC)n1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)n1	ZINC22_676247378	340.423	YMBCLXYZKPFVTL-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068389
CCC(CC)n1ccc(n1)C(=O)C(C#N)c1nnc2n1CCCCC2	MCULE-5715674390,EMOLS-id_313136144,PC-id_136516286	340.423	YMBCLXYZKPFVTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068390
C/C=C(CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccncc1)/C	CoCoCo_1159470,CoCoCo_1159468	340.423	BJYPKWCSTZLAFO-BNNQUZSASA-N	00000000100000101101000000000010000000000000000000000000	31-01-068391
C/C=C(/CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccncc1)C	CoCoCo_1159471,CoCoCo_1159469,PC-id_42326146	340.423	BJYPKWCSTZLAFO-LZWSPWQCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068392
CC(CNc1nc2c(n1Cc1nnc3n1CCCCC3)cccc2)O	MCULE-7724356280,EMOLS-id_100792443	340.423	UBTFJISDUMPVAT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068393
C[C@@H](O)CNc1nc2ccccc2n1Cc1nnc2n1CCCCC2	ZINC22_330357869	340.423	UBTFJISDUMPVAT-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068394
C[C@H](O)CNc1nc2ccccc2n1Cc1nnc2n1CCCCC2	ZINC22_330357870	340.423	UBTFJISDUMPVAT-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068395
CN1C(=O)C[C@@H](NCc2nnc3n2CCCCC3)[C@@H]1c1cccnc1	ZINC22_583620138,EMOLS-id_316043925,MCULE-2696690845	340.423	DZYWTPQNGMBCID-KDOFPFPSSA-N	00000010100000101101100000000010000000000000000000000000	31-01-068396
CN(Cc1cnc2n1CCN(CC2)C(=O)C1CC1)Cc1cncnc1	PC-id_97467283	340.423	RMDNMXUSFQLKEL-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-068397
CN(C(=O)Nc1nccc(c1)C1CC1)Cc1nnc2n1CCCCC2	EMOLS-id_320083377,MCULE-5480804231	340.423	AYARZXSRAIHBEE-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-068398
COCc1cc(N(C)Cc2n[nH]c3c2CCCCC3)n2nccc2n1	EMOLS-id_43084981,ZINC22_72409773,PC-id_56888876,MCULE-5586947750	340.423	IOFPENDNGHNPPA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068399
n12CCN(CCc1nnc2Cc1cccnc1)C(=O)CC1CCNC1	EMOLS-id_49870098,PC-id_77080678,MCULE-4034053284	340.423	DYEWRPYSWFXZQX-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068400
N=CC1=Cc2sc([n+](c2CC=C1N)C)N=Nc1ccc(cc1)OC	PC-id_143211214	340.423	UGPKOLJXWRYCAN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068401
O=C1CCCN1Cc1nnc2n1CCN(CC2)Cc1cccc(n1)C	PC-id_97405780	340.423	UHHOWCDMXCSJHD-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068402
O=C(c1ccccn1)N1CCN(Cc2nnc3n2CCCCC3)CC1	EMOLS-id_31866668,CoCoCo_4469553,ZINC22_40480379,PC-id_45802242,MCULE-3624188245	340.423	YMZYELLGLMSWBT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068403
O=C(c1cccnc1)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97405620	340.423	RIMGZIBZBZEBFM-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068404
O=C(c1cccnc1)N1CCCn2c(C1)nnc2CNC1CCCC1	PC-id_97405592	340.423	TUURIPXMOMJCIG-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068405
O=C(c1cccnc1)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_45803273,MCULE-3275285461,CoCoCo_4526294,EMOLS-id_31869484,ZINC22_40485528	340.423	ONAFMUAAOUHDSY-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068406
O=C(c1ccncc1)N1CCCn2c(CN3CCCCC3)nnc2C1	EMOLS-id_44370930,PC-id_97519774,ZINC22_96259692	340.423	APPIASVTCTYGKZ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068407
O=C(c1ccnnc1)N1CCc2ncc(CN3CCCCC3)n2CC1	EMOLS-id_46161837,PC-id_97390206,ZINC22_96067900	340.423	WSTPUDUJSSLBFX-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-068408
O=C(c1cnc2n1CCCCC2)N1CCC(CC1)Nc1cccnn1	EMOLS-id_318343791,MCULE-8990615796	340.423	LJMUYCVNZKBLQD-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-068409
O=C(c1cnccn1)N1CCc2ncc(CN3CCCCC3)n2CC1	PC-id_97390205,ZINC22_96067899,EMOLS-id_46161835	340.423	UXDJKYPVXDYAEO-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-068410
O=C(c1cnc(nc1N)C1CCCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101678237	340.423	ZKDZOWNSPPQMFW-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-068411
O=C(CC1CC1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_247844040	340.423	GJUFXPPSWTXDQY-HNNXBMFYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-068412
O=C(CC1CC1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_247844045	340.423	GJUFXPPSWTXDQY-OAHLLOKOSA-N	00100000100000100101000000000010000000000000000000000000	31-01-068413
O=C(CC1CC1)N1CC(CCNc2ncccn2)Cn2nccc2C1	EMOLS-id_50375613	340.423	GJUFXPPSWTXDQY-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-068414
O=C(C[C@@H]1CCNC1)N1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_215122930,PC-id_99928385	340.423	DYEWRPYSWFXZQX-HNNXBMFYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068415
O=C(C[C@H]1CCNC1)N1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_215122976,PC-id_99928386	340.423	DYEWRPYSWFXZQX-OAHLLOKOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068416
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Nc1nccc(n1)C1CC1	EMOLS-id_319176721	340.423	AEKCMJMDYAMHRG-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-068417
O=C(N1CC(c2c1cccc2)C(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102168949	340.423	ZOXLHDGFZZCKPN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068418
O=C(N1CCCC1c1ccccc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102158905	340.423	NYDJGHTWBIOPJE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068419
O=C(N1CCC(C1)c1ccccc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102159085	340.423	YRVKSFMHCWBVNV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068420
O=C(N1C(CCC1)c1ccncc1)NCc1n2CCCCCc2nn1	PC-id_53520911	340.423	LZBSPUQGRSYJCT-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-068421
O=C(N1CCC(C1)Cc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102163474	340.423	AIDIEMKPMOLRGS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068422
O=C(N1CCC(C1C)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102165049	340.423	LYOJWDWROBXJOE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068423
O=C(N1CCCc2c(C1)cnn2C)Nc1cccnc1N1CCCC1	EMOLS-id_101845924	340.423	IASOMCGWOJJVTP-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-068424
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(C1)c1ccccn1	EMOLS-id_101720613	340.423	QHTWIHCDASPJKK-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-068425
O=C(N1CCCCC1c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102167137	340.423	LMJCVBVNKVCVGH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068426
O=C(N1CCC[C@@H]1CCc1ccccn1)C1CCn2c(CC1)nnn2	EMOLS-id_319878972	340.423	VXHFKPJFOIOCEF-BZSJEYESSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068427
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccccc1N1CCCC1	EMOLS-id_320096714,MCULE-2248183541	340.423	FOPHDGLBVSUURS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068428
O=C(N1CCCn2c(C1)cc(n2)N)NCC1(CCC1)c1ccccn1	EMOLS-id_319497461	340.423	DPXDHRCLTRHUGL-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-068429
O=C(N1CCCn2c(C1)cnn2)[C@@H]1CC[C@@H](CC1)Nc1ccccn1	EMOLS-id_320263246,MCULE-4522740891	340.423	IUECYMCZAYWEGL-GASCZTMLSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068430
O=C(N1CCNC(C1)c1ccccc1C)C1CCn2c(CC1)nnn2	EMOLS-id_316613112	340.423	ROBGKMPTGZABFJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068431
O=C(NC1CC(C1)(C)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102176636	340.423	HSBHJENXQKSQHD-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-068432
O=C(NC1CC(c2c1cccc2)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102162982	340.423	DWYWXJKWLGPHST-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068433
O=C(NC1CCn2c(CC1)nnn2)NCC1(C)Cc2c(C1)cccc2	EMOLS-id_102166627	340.423	MXQCQCZQISRKKL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068434
O=C(NCc1n2CCCCCc2nn1)C1NNC(C1)c1ccccc1	PC-id_52987224	340.423	UXMHCNIYNDRSRD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068435
O=C(NCc1n2CCN(CCc2nn1)CC(=CC)C)c1ccncc1	PC-id_74843479	340.423	BJYPKWCSTZLAFO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068436
O=C(NCc1nnc2n1CCCCC2)c1cccnc1N1CCCC1	MCULE-2510526415,PC-id_71899509,EMOLS-id_45744325,ZINC22_41821130	340.423	YDQTXIPQHRGKIW-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-068437
O=C(NCc1nnc2n1CCCCC2)N1CCC[C@H]1c1ccncc1	PC-id_93972149,ZINC22_43779599	340.423	LZBSPUQGRSYJCT-HNNXBMFYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-068438
O=C(NCc1nnc2n1CCCCC2)N1CCC[C@@H]1c1ccncc1	ZINC22_43779600,PC-id_93972150	340.423	LZBSPUQGRSYJCT-OAHLLOKOSA-N	00000010100000101101100000000010000000000000000000000000	31-01-068439
O=C(NCc1nnc2n1CCCCC2)N(Cc1ccccn1)C1CC1	ZINC22_65444438,PC-id_53505476,EMOLS-id_35717624,MCULE-2049580817	340.423	BGSOJDPYWFLTSQ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068440
O=C(NCc1nnc2n1CCCCC2)N(Cc1ccncc1)C1CC1	PC-id_53521116,MCULE-4771682139,EMOLS-id_36273059,ZINC22_69327234	340.423	MAFTXGDQDGXBIW-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-068441
c1(Cn2cc(nn2)c2cc([nH]n2)CC(C)C)nnc2CCCCCn12	MCULE-9103109504,ZINC22_91626281,PC-id_72883143,EMOLS-id_46057871	340.426	AILFUKZBJNKGMH-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-068442
CCn1cc(CN2CCCn3cnc(Cn4nncc4C)c3C2)cn1	EMOLS-id_313729756,ZINC22_2055714863	340.426	VSQKDUWOOHHUMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068443
O=C(N1CCCCc2c1sc(n2)C)CC12CCCCC1C2(F)F	EMOLS-id_320019378,MCULE-6286415683	340.431	RLUIDYORQWPMGY-UHFFFAOYSA-N	00100000100010000101010000000010000000000000000000000000	31-01-068444
CNCC(C(n1cc(c2c1C=CCC(=C2)F)C)c1ccccc1)OC	PC-id_143120349	340.434	LRVDWRJEHLOENZ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-068445
Cc1ccc(cc1F)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112823945	340.436	JKSMVKKCCQQUQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068446
Cc1ccc(c(c1)S(=O)(=O)Nc1nc2c(s1)CCCCC2)F	PC-id_112823944	340.436	PIRAQECKYZVVIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068447
CC(c1cccc2-c(c1)c(cc2Cc1ccccc1)S(=O)(=O)O)C	PC-id_13559087,SCHEMBL10804327	340.436	FKLZTTHBDLKIRI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-068448
Fc1ccc(c(c1)C)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112812027	340.436	RALQYGOPNFBWJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068449
Fc1ccc(c(c1)S(=O)(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112823943	340.436	BTVWSJJOBOEIOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068450
CCOC(=O)c1c(N)sc2c1CCCN(C2)C(=O)OC(C)(C)C	PC-id_58116994,SCHEMBL939860	340.438	RDLTXPPJOZIILF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068451
CCOC(=O)c1c(N)sc2c1CCN(CC2)C(=O)OC(C)(C)C	PC-id_59379270,SCHEMBL937489	340.438	LPZSOUUMTYEENL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068452
COCCN(CCOC)C(=O)CN1CCCc2sccc2C1=O	MCULE-1522846672,ZINC22_69739284,PC-id_53600192,EMOLS-id_36703928	340.438	ISQUFODJXXSGNP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068453
COC(=O)c1c(NC(=O)N(C)CCCO)sc2c1CCCCC2	ZINC22_281990774,MCULE-4962410487,PC-id_121588426,EMOLS-id_73052770	340.438	XJMCUZHSRSWLPN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068454
COC(=O)c1n(C)cc2c1C/C=CCCCCC(NS2(=O)=O)C	PC-id_140762623	340.438	GUYJKBSCLWMULQ-VURMDHGXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-068455
O=C(c1noc2c1CCCCC2)N1CCS(=O)(=O)C(CC1)(C)C	EMOLS-id_111954183	340.438	QWXRYXPLZXMTQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068456
O=C(c1noc2c1CCCCC2)NS(=O)(=O)CC1CCCCC1	EMOLS-id_112072516	340.438	BVPXXVMSKSQKPG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068457
O=C(c1noc2c1CCCCC2)NS(=O)(=O)CCC1CCCC1	EMOLS-id_112089830	340.438	CDAUGHONLCUECG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-068458
O=C(N1CCCc2c(C1)cco2)NCC1(CCC1)CS(=O)(=O)C	EMOLS-id_101837383	340.438	YOLKZFNVDDHRNS-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-068459
c1(C#N)c2CCCCCc2sc1N=Cc1cccc(OC)c1OC	PC-id_4452250,MCULE-9485469864	340.439	DGEJZCNCKHCCST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068460
c1(NC(=O)c2ccccc2OCC)sc2c(CCCCC2)c1C#N	MCULE-3399236982,CoCoCo_6846247,EMOLS-id_5369615,PC-id_3460812,ZINC22_6048572,TIMTEC539046	340.439	WZEQJQKPLCSNQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068461
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCCCC2)c1C#N	PC-id_958969,EMOLS-id_5404076,MCULE-1802601374,ZINC22_567700,CoCoCo_5021719	340.439	ISHNXMIWXNUIOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068462
c1(NC(=O)c2cccc(OC)c2)sc2c(CCCCCC2)c1C#N	ZINC22_483145,MCULE-3818990832,PC-id_903135,EMOLS-id_4019949,CoCoCo_6622486	340.439	BSDYYCACJPSQQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068463
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCCCC2)c1C#N	MCULE-2924744587,TIMTEC174446,ZINC22_450648,PC-id_880313,CoCoCo_276788,BAS-03072318,ChEMBL-DNDi_CHEMBL6508158,EMOLS-id_1415704,STOCK2S-36617	340.439	GOIXXPASHYTQLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068464
c1(NC(=O)Cc2ccccc2OC)sc2c(CCCCC2)c1C#N	PC-id_977427,EMOLS-id_2466996,ZINC22_620145,CoCoCo_981256,MCULE-2960813704	340.439	NUFKOAJLJBAJFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068465
c1(NC(=O)C=Cc2ccccc2)sc2c(CCCCC2)c1C(=O)N	PC-id_953842,MCULE-2169687377	340.439	XTXJKLUCGDLQJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068466
c1(NC(=O)C=Cc2ccc(C)o2)sc2c(CCCCCC2)c1C#N	PC-id_4142041,MCULE-7660594202	340.439	JCEZRAPPVHVZKL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-068467
c1(NC(=O)COc2ccccc2C)sc2c(CCCCC2)c1C#N	CoCoCo_276789,BAS-03072323,EMOLS-id_1415706,PC-id_1907923,ZINC22_2285060,STOCK2S-39843,MCULE-8704018999	340.439	GHXATRXLUWDVMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068468
c1(NC(=O)COc2ccc(cc2)C)sc2c(CCCCC2)c1C#N	EMOLS-id_1415710,PC-id_1149332,MCULE-2978027669,CoCoCo_276791,STOCK2S-38625,BAS-03072327,ZINC22_894734	340.439	OGZJIMTUUYDDKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068469
c1(NC(=O)COc2ccccc2)sc2c(CCCCCC2)c1C#N	CoCoCo_6791505,PC-id_725833,ZINC22_133344,MCULE-5770304565,Chemmine_59028,EMOLS-id_4019955	340.439	PXGMNSOYEVYGBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068470
Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCCCC3)o1	PC-id_6019967,CoCoCo_6800994,TIMTEC233356,ZINC22_2734324,EMOLS-id_46452221	340.439	JCEZRAPPVHVZKL-ZHACJKMWSA-N	00000000101000000100000000000010000000000000000000000000	31-01-068471
CC(c1ccc2-c1ccccc2)NCCCc1ccc(s1)[N+](=O)[O-]	PC-id_68813677,SCHEMBL3851618	340.439	YTHYYFFNFVQZJU-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-068472
CC(c1ccc2-c1ccccc2)NCCCc1csc(c1)[N+](=O)[O-]	PC-id_68818303,SCHEMBL3862862	340.439	FLRAENYPKSZLNH-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-068473
CC(=O)/C(=C(c1ccccc1)/O)/C=N/c1nc2c(s1)CCCCC2	PC-id_135672208	340.439	JUVMXCVJUFBDAN-VKNGKRFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068474
COc1c(cccc1OC)/C=Nc1sc2c(c1C#N)CCCCC2	CoCoCo_6801438	340.439	DGEJZCNCKHCCST-MTJSOVHGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068475
COc1cccc(/C=N/c2sc3c(c2C#N)CCCCC3)c1OC	EMOLS-id_46452267,ZINC22_102229283,PC-id_9671319,CoCoCo_6801437,TIMTEC120652	340.439	DGEJZCNCKHCCST-CIAFOILYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068476
N#Cc1c(NC(=O)/C=Cc2ccc(o2)C)sc2c1CCCCCC2	CoCoCo_6800995	340.439	JCEZRAPPVHVZKL-KHPPLWFESA-N	00000000101000000100000000000010000000000000000000000000	31-01-068477
NC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCCC2	EMOLS-id_45797432,PC-id_953843,CoCoCo_5014626,ZINC22_558592	340.439	XTXJKLUCGDLQJC-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068478
OCC#Cc1cccc(c1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_319188340	340.439	CYASFMOITNXNNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068479
O=C(Nc1sc2c(c1C(=O)N)CCCCC2)/C=Cc1ccccc1	CoCoCo_5014627	340.439	XTXJKLUCGDLQJC-QXMHVHEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068480
O=C(Nc1sc2CCCCCCc2c1C#N)OCc1ccccc1	EMOLS-id_331233363	340.439	ONIPTVFEFZRPTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068481
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1ccccc1	PC-id_84974428	340.439	ZFTGLUBBWNWUQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068482
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1ccccc1	PC-id_9301135	340.439	ZFTGLUBBWNWUQV-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068483
s1c2CCCCCc2c(c1N=Cc1c(OC)ccc(OC)c1)C#N	PC-id_3690151	340.439	REWONSSLZANQBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068484
s1c2CCCCCc2c(c1/N=C/c1c(OC)ccc(OC)c1)C#N	PC-id_9631229	340.439	REWONSSLZANQBM-CIAFOILYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068485
s1c2CCCCCc2nc1N/C=C(C(=O)c1ccccc1)/C(=O)C	PC-id_21236051	340.439	LKCRHPUOFAVJJD-QINSGFPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068486
s1c2CCCCCc2nc1NC=C(C(=O)c1ccccc1)C(=O)C	PC-id_73750482	340.439	LKCRHPUOFAVJJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068487
s1c2CCCCCCc2c(c1NC(=O)c1ccc(OC)cc1)C#N	PC-id_4066791	340.439	WUXVDHWZQAOPOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068488
s1c2CCCCCCc2c(c1NC(=O)c1c(OC)cccc1)C#N	PC-id_4155584	340.439	SARDGVJNQFFCMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068489
c12CN(CCCn1nc(CNS(=O)(=O)CC)c2)C(=O)C1CCC1	ZINC22_82127995,EMOLS-id_44442533,MCULE-1794997918,PC-id_70759052	340.441	PMFOJNIRCCFPMH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-068490
c1(C(=O)N2CCS(=O)(=O)CC2)cc2n(CCCN(C(C)C)C2)n1	EMOLS-id_232801996,PC-id_50974205,MCULE-4995838763,ZINC22_65458742	340.441	IHSYSHLBDOOOSC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068491
Cc1cc2n(n1)CCCN(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)C2	ZINC22_299766476	340.441	OLIBPTRJIHBZMQ-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-068492
Cc1cc2n(n1)CCCN(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)C2	ZINC22_299766480	340.441	OLIBPTRJIHBZMQ-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-068493
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCCN1S(=O)(=O)C	EMOLS-id_319619004	340.441	OPPIPOOIJIMQLQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068494
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@H]1CCCN(C1)S(=O)(=O)C	EMOLS-id_319387382	340.441	OGZUTKJLONYMCI-KIYNQFGBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068495
CCCN1CCN(CC1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	EMOLS-id_33086166,MCULE-1459207648,PC-id_53182763	340.441	ATUGJBQLNGPUIW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068496
CC(C(=O)NC1CCCC1)S(=O)(=O)c1nnc2n1CCCCC2	PC-id_136577016,EMOLS-id_111004221	340.441	NCARTQNKAMLDPQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-068497
CN(CC(=O)N1CCCn2nc(C)cc2C1)C1CCS(=O)(=O)C1	MCULE-3702681243,PC-id_118761031,EMOLS-id_68869653	340.441	OLIBPTRJIHBZMQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-068498
CN(S(=O)(=O)C1C2C1CCCC2)Cc1nnc2n1CCOCC2	MCULE-3362788013,EMOLS-id_320090375	340.441	VTIKYLITEPZMEO-UHFFFAOYSA-N	00100000100010000101010000000010000000000000000000000000	31-01-068499
CSCCC(C(=O)NCc1nn2c(c1)CN(CCC2)C(=O)C)O	EMOLS-id_44425177,MCULE-1388413028,PC-id_70709732	340.441	GHCPEZITDRUZND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068500
CSCC[C@@H](O)C(=O)NCc1cc2n(n1)CCCN(C(=O)C)C2	ZINC22_82087797	340.441	GHCPEZITDRUZND-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068501
CSCC[C@H](O)C(=O)NCc1cc2n(n1)CCCN(C(=O)C)C2	ZINC22_82087798	340.441	GHCPEZITDRUZND-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068502
CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_670441439,EMOLS-id_222758640,MCULE-9847479716	340.441	HTXALCHKLVROEW-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-068503
O=C1CCCN(c2c1cnn2C)CCCN1CCS(=O)(=O)CC1	PC-id_117715191,SCHEMBL16260505	340.441	JEHFRVGWXNMPLU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068504
O=C(C1(CCC1)S(=O)(=O)N)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319849555	340.441	JADRYDOJQBQTKK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-068505
O=C(C1(CCCC1)S(=O)(=O)C)NCc1nnc2n1CCCCC2	EMOLS-id_110635614	340.441	RIVAFTBCEZSYEU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-068506
O=C(C1CCCCS1(=O)=O)NCCc1nnc2n1CCCCC2	EMOLS-id_99405198	340.441	LFQVDJLDAMUUPP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068507
O=C(C(S(=O)(=O)C1CC1)(C)C)NCc1nnc2n1CCCCC2	EMOLS-id_98117746	340.441	MBLVWQPXBIOQPX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-068508
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)CC1CNCCS1(=O)=O	EMOLS-id_319700867	340.441	PHLMMMIKJVYVGU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068509
O=C(N1CCCCC1)CS(=O)(=O)Cc1nnc2n1CCCCC2	EMOLS-id_100836742	340.441	XESFJWUMXZAFIH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068510
O=C(NCC1CCS(=O)(=O)C1)NCc1n[nH]c2CCCCCc12	MCULE-9716985037,EMOLS-id_232870082	340.441	MPQHGFVVNPKTKK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-068511
O=C(NCc1n[nH]c2c1CCCCC2)NC[C@H]1CCS(=O)(=O)C1	ZINC22_828032262	340.441	MPQHGFVVNPKTKK-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-068512
O=C(NCc1n[nH]c2c1CCCCC2)NC[C@@H]1CCS(=O)(=O)C1	ZINC22_828032263	340.441	MPQHGFVVNPKTKK-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-068513
c12CN(CCCn1nc(C#N)c2)C(=O)C(C)Sc1ccc(cc1)C	MCULE-4224285914,EMOLS-id_289980836	340.443	BRWFAAXIXGAZHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068514
c1ccc(CO[C@H]2CN(Cc3cccs3)Cc3ccnn3C2)nc1	ZINC22_253588815	340.443	UBIBNJPQZFBXRL-KRWDZBQOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-068515
c1ccc(CO[C@@H]2CN(Cc3cccs3)Cc3ccnn3C2)nc1	ZINC22_253588816	340.443	UBIBNJPQZFBXRL-QGZVFWFLSA-N	00000000100100101101000000000010000000000000000000000000	31-01-068516
C1CN(CCc2c1nc(s2)N)CC=Cc1c2CC(=O)Nc2ccc1	PC-id_86745246,SCHEMBL7293219	340.443	YSTZVEKMRWYFBT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068517
c1(CN(C)C(=O)c2ccc3c(c2)ncs3)c2CCCCCc2[nH]n1	ZINC22_426434036,EMOLS-id_82710865,PC-id_119062671,MCULE-9444077630	340.443	JZPGCQICQNUDOQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068518
c1cncc(OCc2ncn3c2CN(Cc2cccs2)CCC3)c1	EMOLS-id_44371488,PC-id_97520059,ZINC22_96259979	340.443	MJTQRVYXFMZUEO-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-068519
c1cncc(OC[C@H]2CN(Cc3cccs3)Cc3nccn3C2)c1	ZINC22_96187945,PC-id_97462393	340.443	JSGVLUJAUPNZBY-HNNXBMFYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-068520
c1cncc(OC[C@@H]2CN(Cc3cccs3)Cc3nccn3C2)c1	ZINC22_96187948,PC-id_97462396	340.443	JSGVLUJAUPNZBY-OAHLLOKOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-068521
c1cncc(OC[C@@H]2CN(Cc3ccsc3)Cc3nccn3C2)c1	PC-id_97462410,ZINC22_96187962	340.443	SHCQROUIUHPUQO-MRXNPFEDSA-N	00000000100100101101000000000010000000000000000000000000	31-01-068522
c1cncc(OC[C@H]2CN(Cc3ccsc3)Cc3nccn3C2)c1	ZINC22_96187959,PC-id_97462407	340.443	SHCQROUIUHPUQO-INIZCTEOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-068523
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3cscn3)C2)n1	EMOLS-id_55681871,MCULE-9093232803,PC-id_91787645	340.443	HQBHKFNCKOMUMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068524
Cc1ccc2n(c1)c(CNC(=O)c1cc3c(s1)CCCCC3)nn2	EMOLS-id_318966868	340.443	XZPSSVPXUDLQPI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068525
Cc1ccc(S[C@@H](C)C(=O)N2CCCn3nc(C#N)cc3C2)cc1	ZINC22_952861045	340.443	BRWFAAXIXGAZHM-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068526
Cc1ccc(S[C@H](C)C(=O)N2CCCn3nc(C#N)cc3C2)cc1	ZINC22_952861046	340.443	BRWFAAXIXGAZHM-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068527
Cc1c(C(=O)NCc2nnc3n2CCCCC3)sc2ccccc12	PC-id_47014573,MCULE-3254482915,ZINC22_48324321,EMOLS-id_30707730	340.443	JDGBMOIUVZQIOJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068528
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccn1Cc1cccs1	EMOLS-id_319764981	340.443	MPSDEVDTUXYXOJ-UHFFFAOYSA-N	00000000110100000101000000000010000000000000000000000000	31-01-068529
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1nc2c(s1)cccc2	EMOLS-id_319899906,MCULE-2796728180	340.443	HJJOKOMLCJBEJM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068530
Cc1nc2cc(ccc2s1)C(=O)NCc1n[nH]c2CCCCCc12	ZINC22_670461592,MCULE-7697472383,EMOLS-id_222781465	340.443	QVATZEOQUUUPCB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068531
Cc1nc2c(s1)N(C(=O)Cc1nn(C)c3ccccc13)CCCC2	ZINC22_1875296617,EMOLS-id_319778682	340.443	GFBRWAOCEKWCFJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068532
Cc1ncsc1CN1Cc2cccn2C[C@@H](Oc2cccnc2)C1	ZINC22_247998871	340.443	BHGWSAYOZLMMEX-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068533
Cc1ncsc1CN1Cc2cccn2C[C@H](Oc2cccnc2)C1	ZINC22_247998877	340.443	BHGWSAYOZLMMEX-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068534
Cc1ncsc1CN1CC(Cn2cccc2C1)Oc1cccnc1	EMOLS-id_50014366	340.443	BHGWSAYOZLMMEX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068535
Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2n1CCCCC2	MCULE-6647681440,CoCoCo_3081624,PC-id_7876864,EMOLS-id_3675866,ZINC22_6097404	340.443	KXEBXXKDLAAKAU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068536
Cc1nn(C)c2ncc(NC(=O)c3cc4c(s3)CCCCC4)cc12	ZINC22_65551549,MCULE-7897687537,PC-id_53513756,EMOLS-id_35691092	340.443	VKRWEQZMEHBNDC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068537
Cc1sc2c(n1)CCCCN2C(=O)c1ccc2c(c1)n(C)c(n2)C	EMOLS-id_320251846,MCULE-5697472755	340.443	RJFUORGUJICDBD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068538
Cc1sc2c(n1)CCCCN2C(=O)c1cnn2c1ccc(c2C)C	MCULE-9979308358,EMOLS-id_319993294	340.443	LNJPXSRZCOIIQW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068539
Cc1sc2c(n1)CCCCN2C(=O)Cc1nc2n(c1)cccc2C	EMOLS-id_318771524	340.443	FSUREBRYQRCPOZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068540
C/C(=C(/c1c[nH]c2c1cccc2)O)/Sc1nnc2n1CCCCC2	CoCoCo_3081580,CoCoCo_3081581	340.443	SBSLYQMXEOKBQR-SFQUDFHCSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068541
C/C(=C(c1c[nH]c2c1cccc2)/O)/Sc1nnc2n1CCCCC2	CoCoCo_3081582,CoCoCo_3081579	340.443	SBSLYQMXEOKBQR-ATVHPVEESA-N	00000000100000100101000001100010000000000000000000000000	31-01-068542
CC(C(=O)c1c[nH]c2c1cccc2)Sc1nnc2n1CCCCC2	EMOLS-id_3660677,PC-id_16292474,MCULE-9371548701	340.443	WAYBLPKTXASARB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068543
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)c1c[nH]c2ccccc12	CoCoCo_3081578,ZINC22_6097350,PC-id_7876829	340.443	WAYBLPKTXASARB-GFCCVEGCSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068544
C[C@H](Sc1nnc2n1CCCCC2)C(=O)c1c[nH]c2ccccc12	PC-id_7876828,CoCoCo_3081577,ZINC22_6097349	340.443	WAYBLPKTXASARB-LBPRGKRZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068545
CN1CCc2c(CC1)cc(s2)C(=O)NCc1cn2c(n1)cccc2	PC-id_70282926,SCHEMBL8129921	340.443	NDFVHUNXDWLFBN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068546
CN(C)C(=O)c1nc2CCN(Cc3cccc(c3)C#N)CCc2s1	EMOLS-id_44325457,PC-id_97462035,ZINC22_96187577	340.443	HUSTXXIJHHVKFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068547
COc1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)cc1	ZINC22_3236356,EMOLS-id_2993503,CHEMBL1313930,MCULE-3329284393,PC-id_2354223,CoCoCo_3761316	340.443	QDJPKFZAZDXLNW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068548
COc1ccccc1c1csc(n1)Cc1nnc2n1CCCCC2	ChEMBL-DNDi_CHEMBL1343039,PC-id_2374066,CHEMBL1343039	340.443	ZAWHIQHVPUEJQZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068549
C(Oc1cccnc1)C1CN(Cc2cccs2)Cc2nccn2C1	EMOLS-id_44325977	340.443	JSGVLUJAUPNZBY-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-068550
C(Oc1cccnc1)C1CN(Cc2ccsc2)Cc2nccn2C1	EMOLS-id_44325981,PC-id_118746808	340.443	SHCQROUIUHPUQO-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-068551
C(OC1CN(Cc2cccs2)Cc2ccnn2C1)c1ccccn1	EMOLS-id_50013040	340.443	UBIBNJPQZFBXRL-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-068552
Nc1nc2c(s1)CCN(CC2)CC=Cc1ccc2c(c1)CC(=O)N2	PC-id_139769137	340.443	HAJCWHRUIODFSF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068553
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc2c(c1)nc(o2)C	SCHEMBL7292857,PC-id_19985842	340.443	MDAMLNKOSOOPOL-NSCUHMNNSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068554
Nc1nc2c(s1)CCN(CC2)CC=Cc1ccc2c(c1)NC(=O)C2	PC-id_139769142	340.443	HIOQTGLCUHULFD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068555
Nc1nc2c(s1)CCN(CC2)C/C=Cc1cccc2c1CC(=O)N2	SCHEMBL7293341	340.443	YSTZVEKMRWYFBT-RQOWECAXSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068556
Nc1nc2c(s1)CCN(CC2)CC=Cc1cccc2c1nc(o2)C	SCHEMBL7292945,PC-id_54138097	340.443	NZDJFSNNDXCSNI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068557
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc2c1nc(o2)C	SCHEMBL7294315,PC-id_19985713	340.443	NZDJFSNNDXCSNI-HWKANZROSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068558
Nc1nc2c(s1)CCN(CC2)CC=Cc1cccc2c1NC(=O)C2	PC-id_139769136	340.443	RRWLBUFIQXNYBX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068559
N#Cc1c(NC(=O)c2cnc(nc2C)C)sc2c1CCCCCC2	EMOLS-id_110847556	340.443	BPDRVSCQYHSSNK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-068560
N#CC(=Cc1ccc(c(c1)OC)SC)c1nnc2n1CCCCC2	EMOLS-id_33317829,PC-id_72046341,MCULE-4594043638	340.443	VGJCOIAOYGFOLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068561
N#C/C(=Cc1ccc(c(c1)OC)SC)/c1nnc2n1CCCCC2	PC-id_97555674	340.443	VGJCOIAOYGFOLE-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068562
O=C(c1sc2c(c1)CCCCCC2)NCc1[nH]c2c(n1)cccn2	EMOLS-id_100017713	340.443	FUJZYJUCIBDCAX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068563
O=C(Cc1c[nH]c2c1cccn2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99805019	340.443	NYLYOZMTIGQALU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068564
O=C(Cc1nc2n(c1)cccc2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_97994558	340.443	YFGQSNIVWCNQHQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068565
O/C(=CSc1nnc2n1CCCCC2)/c1c(C)[nH]c2c1cccc2	CoCoCo_3081625,CoCoCo_3081628	340.443	UFXPJKHIPPCAGI-PTNGSMBKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068566
O/C(=C/Sc1nnc2n1CCCCC2)/c1c(C)[nH]c2c1cccc2	CoCoCo_3081627,CoCoCo_3081626	340.443	UFXPJKHIPPCAGI-RVDMUPIBSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068567
O[C@@H](c1nn2c(c1)CN(CCC2)Cc1cscn1)c1ccccc1	PC-id_99985216	340.443	HQBHKFNCKOMUMK-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068568
O[C@H](c1nn2c(c1)CN(CCC2)Cc1cscn1)c1ccccc1	PC-id_99985221	340.443	HQBHKFNCKOMUMK-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068569
O=C(N1CCCCc2c1sc(n2)C)CCn1cnc2c1cccc2	EMOLS-id_320242915,MCULE-5910787413	340.443	JVAOXWLHNDROCR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068570
O=C(Nc1nc2c(s1)cc(cc2)C)Cn1cc2c(n1)CCCCC2	CHEMBL1578190,ChEMBL-DNDi_CHEMBL1578190,PC-id_5309307,CHEBI:114221	340.443	YFILQGOSMMYHAX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068571
O=C(Nc1nc2c(s1)CCCCC2)CCn1cnc2c1cccc2	PC-id_112807880	340.443	UJFKSJBWXMJGJI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068572
O=C(NCc1nnc2ccccn12)c1cc2c(s1)CCCCCC2	CoCoCo_3875447,ZINC22_8352275,EMOLS-id_11812161,MCULE-9183571231,PC-id_9474133	340.443	OPHOFQHDFZWXHR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068573
O=C(NCCc1nnc2ccccn12)c1cc2c(s1)CCCCC2	MCULE-3496026929,CoCoCo_4277976,EMOLS-id_13469223,PC-id_17446699,ZINC22_14118066	340.443	HYCPEWZDOJDAEB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068574
s1c2CCCCCc2cc1C(=O)NC(c1n2c(nn1)cccc2)C	PC-id_51247737	340.443	RDTPOMVKLVFPDT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068575
s1c2CCCCCc2cc1C(=O)NN=Cc1c(n(c(c1)C#N)C)C	PC-id_78620887	340.443	AAZIRIDINGPZMM-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-068576
s1c2CCCCCc2nc1NC(=O)C(n1c2c(nc1)cccc2)C	PC-id_46605123	340.443	QJZPTWUDESOGPV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068577
s1c2CCCCCCc2nc1NC(=O)c1nc2n(c1)c(ccc2)C	PC-id_56020823	340.443	JSSBKPZYLCJQJR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068578
s1c2CCCCCCc2nc1NC(=O)c1nc2n(c1)ccc(c2)C	PC-id_56022621	340.443	IJOSDLFFDZUNKW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068579
s1c2CCCCCCc2nc1NC(=O)CNc1ccc(cc1)C#N	PC-id_56115398	340.443	BJRPSDVIQBXGFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068580
s1c2CCN(CCc2nc1N)CC=Cc1cc2nc(oc2cc1)C	PC-id_54066011	340.443	MDAMLNKOSOOPOL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068581
s1c(C(=O)NCCc2n3CCCCCc3nn2)cc2c1cccc2	PC-id_60389537	340.443	MODBTRBJYKGQOL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068582
S(c1c(OC)cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)C	PC-id_51098983	340.443	VGJCOIAOYGFOLE-UVTDQMKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068583
S(c1n2CCCCCc2nn1)Cc1oc(c2ccc(cc2)C)cn1	PC-id_52163392	340.443	DDEQRAKIFFAIJV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068584
O=S(=O)(CC12CCCN(C1)CC2)NC1CCn2c(CC1)nnn2	EMOLS-id_319095253	340.444	LHDBKJXMRXIJEI-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-068585
c1ccc(cn1)NCc1nnc2n1CCCN(C2)Cc1cccs1	PC-id_97405596	340.446	YNCAEOAQPRUTDQ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-068586
c1ccc(NCc2cnc3n2CCN(Cc2nccs2)CC3)nc1	PC-id_97467248,EMOLS-id_44329133,ZINC22_96197105	340.446	HCDBQISFKGZZKW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068587
c1cc(NCc2csnn2)ccc1Cc1nnc2n1CCCCC2	MCULE-9644222806,ZINC22_185619400,PC-id_121532521,EMOLS-id_73039979	340.446	ZLGQMZSZGAGPBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068588
c1cncc(NCc2nnc3n2CCCN(Cc2ccsc2)C3)c1	ZINC22_96259633,EMOLS-id_44370814,PC-id_97519715	340.446	WEOGIJHYQLCHHQ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-068589
c1cnc(NCc2ncn3c2CN(Cc2cccs2)CCC3)nc1	EMOLS-id_44370390,ZINC22_96259420,PC-id_97519504	340.446	XMLPHOLRDVGYBJ-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-068590
n1c(Cc2ccccc2)nn2CCN(Cc3cnc(N)s3)CCc12	MCULE-6795516188,EMOLS-id_337775501,ZINC22_2356165988	340.446	SAEGBEWQUYRIEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068591
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc2c(c1)nc([nH]2)N	SCHEMBL7293650,PC-id_19985940	340.446	SOXJINPAZLNKJY-OWOJBTEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068592
s1c2c(CCCCC2)c(C(=O)N2CCN(CC2)c2ccccc2)c1	PC-id_6622931	340.482	VIURZIIGRQNXKI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068762
Nc1nc2c(s1)CCN(CC2)CC=Cc1ccc2c(c1)[nH]c(n2)N	SCHEMBL7293662,PC-id_54316992	340.446	SOXJINPAZLNKJY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068593
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc2c1nc([nH]2)N	SCHEMBL7294058,PC-id_19985923	340.446	XDDBBVJGMUCJFA-DUXPYHPUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068594
Nc1nc2c(s1)CCN(CC2)CC=Cc1cccc2c1[nH]c(n2)N	PC-id_54463318,SCHEMBL7294074	340.446	XDDBBVJGMUCJFA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068595
S(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)C(F)(F)F	PC-id_42604459	340.446	ZKYZZXYHVJRYKV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068596
OCC1=C/C(=Cc2ccc3-c2ccc(cc3)C(C)(C)C)/c2c1cccc2	PC-id_138984564	340.457	PAOWCTPJFMBCCW-XMHGGMMESA-N	00000011100000100110000000001010000000000000000000000000	31-01-068597
OC=C1CCCCCCCc2c(C1=O)c(SC)sc2C(=O)O	PC-id_139838777	340.458	BOXAQWJKQSOUPI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068598
CC(C)c1cccc(C(C)C)c1NC(=O)c1noc2c1CCCCC2	MCULE-4590672049,ZINC22_97165951,PC-id_75511264,EMOLS-id_49326501	340.459	BBTUHGTZBBUSGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068599
CCC(CC1CCN(CC1)C(=O)c1cc2=CC=C=CC=c2[nH]1)(CC)O	PC-id_89028245,SCHEMBL13175487	340.459	ADXLERHARUZQCM-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-068600
CCC(CC)(CC1CCN(CC1)C(=O)c1cc2-c(ccccc2)n1)O	PC-id_136450132	340.459	PONTZMVVRDEINR-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-068601
CC(C)n1c2c(CCCCCCC2)c(n1)C(=O)OCc1ccccc1	PC-id_137483043,SCHEMBL20725277	340.459	DJZZXHFFHOWMDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068602
CC(C)n1c2c(CCCCCCC2)nc1C(=O)OCc1ccccc1	PC-id_137483044,SCHEMBL20725278	340.459	DZHSBAPWOREKJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068603
FCCN1CCC[C@@H](C1)NC(=O)c1nc2c(s1)CN(CCC2)C	PC-id_142197798	340.459	UFSXUIXXIFQGEG-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068604
N#Cc1c(sc2c1CCCCCC2)NC(=O)C(S(=O)(=O)C)C	EMOLS-id_110431571	340.461	YEQRZKJKJOUHGH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068605
CCc1cc[n+](cc1)CC(=O)Nc1sc2c(c1C#N)CCCCC2	GD-id_ZINC22446030	340.462	WHJFEPXEVQTZAJ-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-068606
N=CC1=CC(S)c2c(CC1)c(C)sc2Oc1ccc(cc1)C#N	SCHEMBL18533474	340.462	LTNYNWSBQORCBH-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-068607
N#Cc1c(NC(=O)C[n+]2ccccc2CC)sc2c1CCCCC2	GD-id_ZINC15460422	340.462	QWXVKJKEBMTRLD-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-068608
O=C(N1CCCCc2c1ccs2)c1ccc(s1)c1ccccn1	PC-id_21467164,SCHEMBL6992757	340.462	MNUIPKUCKOEIRI-UHFFFAOYSA-N	00000000100100101100100000000010000000000000000000000000	31-01-068609
c12CN(CCCn1nc(CNC(=O)Cc1ccccc1)c2)CC(C)C	EMOLS-id_44427637,MCULE-4515853719,PC-id_70716596,ZINC22_82096582	340.463	GKAXPVFVVILQNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068610
c1(ccc2CN(CCCn12)C(C)C)C(=O)N(C)CCc1ccccn1	MCULE-8117746599,EMOLS-id_317415519	340.463	JNDJHXUEEIMDPC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068611
c1ccc(cc1)CCC1OCCN(C1)Cc1nnc2n1CCCCC2	MCULE-1053404246,PC-id_122138824,EMOLS-id_171554455	340.463	BTJLNMQTZRQIAL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-068612
c1ccc(CC[C@@H]2CN(Cc3nnc4n3CCCCC4)CCO2)cc1	ZINC22_273259219	340.463	BTJLNMQTZRQIAL-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-068613
c1ccc(CC[C@H]2CN(Cc3nnc4n3CCCCC4)CCO2)cc1	ZINC22_273259223	340.463	BTJLNMQTZRQIAL-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-068614
c1(CN(C)C(=O)N[C@@H](CC)c2ccccc2)c2CCCCCc2[nH]n1	MCULE-9890717778,PC-id_121503029,ZINC22_426503269,EMOLS-id_177427035	340.463	KXKJIRUGWHEROS-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068615
c1(C(=O)Nc2ccc(cc2C)N(CC)CC)c2CCCCCc2[nH]n1	EMOLS-id_335028163,MCULE-4699755906	340.463	JRYLTBVBLGZWPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068616
CC1(C)Cc2c(O1)ccc(c2)CNCCc1nnc2n1CCCCC2	PC-id_119121789	340.463	XUYYTQQQBFJCDV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068617
Cc1ccccc1CCC(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C	ZINC22_585096756	340.463	CGJQGIUUZYJEEF-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068618
Cc1ccccc1CCC(=O)N1Cc2ccnn2CC[C@H]1CN(C)C	ZINC22_585096757	340.463	CGJQGIUUZYJEEF-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068619
Cc1ccccc1C(=O)N1CCCn2cnc(CN(C)C(C)C)c2C1	ZINC22_96259225,EMOLS-id_44369996,PC-id_97519309	340.463	NCEBVPYKAYXDNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068620
Cc1cccc(CN2Cc3nccn3C[C@H](CN3CCOCC3)C2)c1	ZINC22_96188516,PC-id_97462952	340.463	ZOAITZSQIYRINZ-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-068621
Cc1cccc(CN2Cc3nccn3C[C@@H](CN3CCOCC3)C2)c1	ZINC22_96188517,PC-id_97462953	340.463	ZOAITZSQIYRINZ-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-068622
Cc1cccc(CN2CC(CN3CCOCC3)Cn3ccnc3C2)c1	PC-id_118746793,EMOLS-id_44326357	340.463	ZOAITZSQIYRINZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-068623
Cc1cccc(C(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)c1	PC-id_97519310,ZINC22_96259226,EMOLS-id_44369998	340.463	AYDPZTQBKCMCMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068624
Cc1cccc(n1)N(C(=O)c1cnc2n1CCCCC2)CC(C)(C)C	EMOLS-id_278171387	340.463	JDFHFOKZIJJUMJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068625
Cc1ccc(C(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)cc1	ZINC22_96259227,EMOLS-id_44370000,PC-id_97519311	340.463	CJIHVUVHMMMTKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068626
CC1CN(Cc2ccc(cc2)CN2CCOCC2)Cc2c(C1)[nH]nc2	EMOLS-id_318789619	340.463	BQZQVGMNKAHZAI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-068627
CC1CN(Cc2cccc(c2)CN2CCOCC2)Cc2c(C1)[nH]nc2	EMOLS-id_319802185	340.463	RHJVLVOWBYJJHZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-068628
CC1CN(CC(=O)Nc2ccccc2C(C)(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319571500	340.463	UZQKKKVDYKUNNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068629
CC1CN(CC(=O)NC(c2ccc(c(c2)C)C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319662556	340.463	VEQSMIVPMBWDIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068630
CC1CN(CC(=O)NC(c2ccccc2)C(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319841952,MCULE-8380821651	340.463	KWDBQLPWTGAQKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068631
CC1CN(CC(=O)NC(Cc2ccccc2C)C)Cc2c(C1)[nH]nc2	MCULE-7870621295,EMOLS-id_320087936	340.463	MTNHUMWATUQFRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068632
CC1CN(CC(=O)N(C(C)C)Cc2ccccc2)Cc2c(C1)[nH]nc2	EMOLS-id_319404433	340.463	LKZIZOBRVRKCKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068633
CCc1ccc(cc1)C(CNC(=O)C1CCn2c(CC1)nnc2)(C)C	EMOLS-id_319168378	340.463	HDBGZAHXUPTPPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068634
CCc1ccc(cc1)N(C(=O)C1CCn2c(CC1)nnc2)CC(C)C	MCULE-8352198690,EMOLS-id_257971909	340.463	ASQVSYYXAVBVTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068635
CCC(c1ccc2c(c1)CCO2)NCCc1nnc2n1CCCCC2	MCULE-8511325625,PC-id_75382557,EMOLS-id_48265969	340.463	PBBLVHNTAJLWJV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068636
CC(Cc1ccc(cc1)C(NC(=O)C1CCn2c(CC1)nnc2)C)C	EMOLS-id_278110519	340.463	HOXVRYFSGSWWBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068637
CCC(c1ccccc1)(CNC(=O)C1CCn2c(CC1)nnc2)CC	MCULE-8438155040,EMOLS-id_319990401	340.463	CIKQVVDJWJYEET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068638
CCC(C(c1ccccc1)NC(=O)C1CCn2c(CC1)nnc2)CC	EMOLS-id_316473997	340.463	DLOVTKNQAYLZGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068639
CC(C)CCN1CCc2ncc(n2CC1)C(=O)NCc1ccccc1	PC-id_134809252	340.463	UFXDHXURNIBBHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068640
CC[C@@H](NCCc1nnc2n1CCCCC2)c1ccc2c(c1)CCO2	PC-id_97229607,ZINC22_95419797	340.463	PBBLVHNTAJLWJV-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068641
CC[C@H](NCCc1nnc2n1CCCCC2)c1ccc2c(c1)CCO2	ZINC22_95419796,PC-id_97229606	340.463	PBBLVHNTAJLWJV-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068642
CC(C)N(C)CC1CN(Cc2nccn2C1)C(=O)Cc1ccccc1	EMOLS-id_44326161	340.463	PKJFRAWLGCETEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068643
CC(C)N(C)Cc1ncn2c1CN(C(=O)Cc1ccccc1)CCC2	ZINC22_96259224,EMOLS-id_44369994,PC-id_97519308	340.463	YRTBJRNTYYPEOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068644
CC(C)N(C)C[C@H]1CN(C(=O)Cc2ccccc2)Cc2nccn2C1	ZINC22_96188320,PC-id_97462761	340.463	PKJFRAWLGCETEQ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068645
CC(C)N(C)C[C@@H]1CN(C(=O)Cc2ccccc2)Cc2nccn2C1	ZINC22_96188321,PC-id_97462762	340.463	PKJFRAWLGCETEQ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068646
CC(CNC(=O)c1cccc(c1)CN1CC(C)Cc2c(C1)cn[nH]2)C	MCULE-3867016422,EMOLS-id_320003590	340.463	PZBBFWPMOLUIAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068647
CC(CN(C(=O)C1CCn2c(CC1)nnc2)CCc1ccccc1)C	EMOLS-id_319297590	340.463	RCNJYVDFOFCRAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068648
CCC(N(C(=O)C1CCn2c(CC1)nnc2)C)Cc1ccc(cc1)C	MCULE-8006284981	340.463	RTULKRSQCCPVOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068649
CCN(C(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)c1ccccc1)CC	EMOLS-id_319462582	340.463	VRLFZCMYIWWBSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068650
CCN(C(=O)C1CCn2c(CC1)nnc2)CC(c1ccccc1)CC	MCULE-2457374516,EMOLS-id_320290077	340.463	YIIPEEVMIQPOME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068651
CN(C)CC1CCn2nccc2CN1C(=O)CCc1ccccc1C	EMOLS-id_313816621	340.463	CGJQGIUUZYJEEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068652
CN(C)CCNC(=O)c1ccc2CN(Cc3ccccc3)CCCn12	MCULE-4146641712,EMOLS-id_317423994	340.463	QVHYNYBDAVRKQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068653
COC1(c2ccccc2)CCN(Cc2cc3n(n2)CCCNC3)CC1	EMOLS-id_43096251,MCULE-6892930374,ZINC22_72144313,PC-id_56891639	340.463	QEOORGYGURQZPK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068654
COc1ccc2c(c1)C(C)(C)CC2NCc1nnc2n1CCCCC2	EMOLS-id_318071840,MCULE-3348506579	340.463	OXFXECROZHORQB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068655
COc1cccc(c1)[C@@H]1CCCN(C1)Cc1nn2c(c1)CNCCC2	PC-id_56909855,EMOLS-id_43159198	340.463	RKRABVOOJZOBOX-QGZVFWFLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068656
COc1ccccc1CN1Cc2ccnn2C[C@@H](CN2CCCC2)C1	ZINC22_248116445	340.463	BFSSTRAOADYBHB-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068657
COc1ccccc1CN1Cc2ccnn2C[C@H](CN2CCCC2)C1	ZINC22_248116449	340.463	BFSSTRAOADYBHB-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068658
COc1ccccc1CN1CC(CN2CCCC2)Cn2nccc2C1	EMOLS-id_50373671	340.463	BFSSTRAOADYBHB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068659
COc1ccc(cc1)CN1CCn2c(CC1)ncc2CN1CCCC1	PC-id_97390195	340.463	WSBMFYHGHAGGKB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068660
COc1cccc(CN2Cc3ccnn3C[C@H](CN3CCCC3)C2)c1	ZINC22_247924392	340.463	YZGOMLLNZHEKJA-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068661
COc1cccc(CN2Cc3ccnn3C[C@@H](CN3CCCC3)C2)c1	ZINC22_247924401	340.463	YZGOMLLNZHEKJA-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068662
COc1cccc(CN2CC(CN3CCCC3)Cn3nccc3C2)c1	EMOLS-id_50374189	340.463	YZGOMLLNZHEKJA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-068663
O(c1cc(C2CN(CCC2)Cc2nn3c(c2)CNCCC3)ccc1)C	PC-id_76438510	340.463	RKRABVOOJZOBOX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068664
OC[C@]1(c2ccccc2)CCCN(Cc2nnc3n2CCCCC3)C1	ZINC22_374558429	340.463	CANYHDQPPOZGHG-FQEVSTJZSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068665
OC[C@@]1(c2ccccc2)CCCN(Cc2nnc3n2CCCCC3)C1	ZINC22_374558431	340.463	CANYHDQPPOZGHG-HXUWFJFHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068666
OCC1(CCC1)C(c1ccccc1)NCc1nnc2n1CCCCC2	MCULE-4943918750,PC-id_145895702,EMOLS-id_320390722	340.463	CTCPBSZNLDJXMI-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-068667
OCC1(CCCN(C1)Cc1nnc2n1CCCCC2)c1ccccc1	MCULE-9817320894,EMOLS-id_316049965	340.463	CANYHDQPPOZGHG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068668
OCC1([C@@H](NCc2nnc3n2CCCCC3)c2ccccc2)CCC1	ZINC22_572050321	340.463	CTCPBSZNLDJXMI-IBGZPJMESA-N	00001000100000110101000000000010000000000000000000000000	31-01-068669
OCC1([C@H](NCc2nnc3n2CCCCC3)c2ccccc2)CCC1	ZINC22_572050322	340.463	CTCPBSZNLDJXMI-LJQANCHMSA-N	00001000100000110101000000000010000000000000000000000000	31-01-068670
O=C(C(N1CCCc2c(C1)cnn2C)C)NC(c1ccccc1C)C	EMOLS-id_318355008	340.463	NVPOPSZYRQQPBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068671
O=C(C(N1CCCc2c(C1)cnn2C)C)NCCc1ccccc1C	EMOLS-id_318182675	340.463	ULEBCOVOCZQLFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068672
O=C(N1CCCc2c(C1)cnn2C)NC(C(c1ccccc1)(C)C)C	EMOLS-id_318049963	340.463	YLDVNHYRRQYFMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068673
O=C(Nc1c(C)cccc1C(C)C)CN1CC(C)Cc2c(C1)cn[nH]2	MCULE-7627449456,EMOLS-id_319990891	340.463	NKQCEUXUSIBQAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068674
O=C(NCc1n2CCCCCc2nn1)Cc1ccc(CC(C)C)cc1	PC-id_51266366	340.463	ZBUIVJBRRWYYTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068675
O=C(NCCc1n2CCCCCc2nn1)c1ccc(C(C)(C)C)cc1	PC-id_51307427	340.463	IINDCUFOWBGQCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068676
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CCc1scnc1C	EMOLS-id_319910459,MCULE-3560199551	340.464	STBCLBVQFOJYAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068677
CC1CN(Cc2csc(n2)CS(=O)(=O)C)Cc2c(C1)[nH]nc2	EMOLS-id_318827823	340.464	PODIJKQCLUDTSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068678
CCn1cc(CS(=O)(=O)Cc2nc3c(s2)CCCCC3)nn1	ZINC22_2325770598	340.464	IYVLVQUCBMSTGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068679
Cn1ncc2c1CCCN(C2)S(=O)(=O)CCc1scnc1C	EMOLS-id_101950950	340.464	MMWQJLOLKIIODW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068680
Cn1nc(c(c1C)S(=O)(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_110799366	340.464	CGIOSIAYXLMVOV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068681
Cn1ncc(c1)S(=O)(=O)NCCN1CCCCc2c1ccs2	EMOLS-id_318038668	340.464	ZOSKDQUOGUGFES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068682
CN(C)CC1CN(Cc2nccn2C1)S(=O)(=O)c1cccs1	EMOLS-id_44326083	340.464	ACRQMUVRBRYLOZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068683
CN(C)C[C@H]1CN(S(=O)(=O)c2cccs2)Cc2nccn2C1	PC-id_97462677,ZINC22_96188234	340.464	ACRQMUVRBRYLOZ-GFCCVEGCSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068684
CN(C)C[C@@H]1CN(S(=O)(=O)c2cccs2)Cc2nccn2C1	ZINC22_96188236,PC-id_97462679	340.464	ACRQMUVRBRYLOZ-LBPRGKRZSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068685
CS(=O)(=O)NCc1cnc2CCN(Cc3cccs3)CCn12	ZINC22_96197015,PC-id_97467159,EMOLS-id_44328963,CHEMBL3553724	340.464	AXCDDCXCGJGSKN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068686
CS(=O)(=O)NCc1cnc2CCN(Cc3ccsc3)CCn12	ZINC22_96197017,EMOLS-id_44328967,PC-id_97467161	340.464	QDCHJCUUHJYOST-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068687
CS(=O)(=O)NCC1CN(Cc2cccs2)Cc2ccnn2C1	EMOLS-id_50371443	340.464	JXPGOYYHUDWEIF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068688
CS(=O)(=O)NCC1CN(Cc2ccsc2)Cc2ccnn2C1	EMOLS-id_50375197	340.464	IIFFIEKRJALDOK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068689
CS(=O)(=O)NCc1ncn2c1CN(Cc1cccs1)CCC2	PC-id_97519517,ZINC22_96259433,EMOLS-id_44370420	340.464	CIXQFGUKBYKHIM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068690
CS(=O)(=O)NC[C@@H]1CN(Cc2cccs2)Cc2ccnn2C1	ZINC22_247516163	340.464	JXPGOYYHUDWEIF-GFCCVEGCSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068691
CS(=O)(=O)NC[C@H]1CN(Cc2cccs2)Cc2ccnn2C1	ZINC22_247516173	340.464	JXPGOYYHUDWEIF-LBPRGKRZSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068692
CS(=O)(=O)NC[C@@H]1CN(Cc2ccsc2)Cc2ccnn2C1	ZINC22_247510657	340.464	IIFFIEKRJALDOK-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068693
CS(=O)(=O)NC[C@H]1CN(Cc2ccsc2)Cc2ccnn2C1	ZINC22_247510663	340.464	IIFFIEKRJALDOK-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068694
c12CN(C)CCCn1nc(CN1CCC(CC1)Nc1ccccn1)c2	MCULE-5983969540,EMOLS-id_43132349,ZINC22_72143236,PC-id_56900774	340.466	QHIUFHJENQPSOX-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068695
c12CN(CCCn1nc(CNc1ncnc3CCCc13)c2)CC(C)C	MCULE-8780852047,ZINC22_82096674,PC-id_70716944,EMOLS-id_44427757	340.466	OTWYDNCCMOKVKS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068696
c1ccc(CCN2CCN(Cc3cc4n(n3)CCCNC4)CC2)nc1	PC-id_56904742,MCULE-4557157270,EMOLS-id_43143968,ZINC22_72454040	340.466	UZFWURKWYFSDBE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068697
c1ccc(CN2CCCN(Cc3cc4n(n3)CCCNC4)CC2)nc1	ZINC22_72125626,MCULE-2219909748,EMOLS-id_43063102,PC-id_56883529	340.466	YQNKTIAKAQERPW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068698
c1cc(CCN2CCN(Cc3nnc4n3CCCCC4)CC2)ccn1	PC-id_71899207,MCULE-6546210027,ZINC22_89884939,EMOLS-id_45745177	340.466	WSGPAGVEUNGASK-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068699
c1cnc(NCC[C@H]2CN(CC3CCCC3)Cc3ccnn3C2)nc1	ZINC22_306142907	340.466	XNYILMWYHCJOCL-KRWDZBQOSA-N	00000010100000100101000000000010000000000000000000000000	31-01-068700
c1cnc(NCC[C@@H]2CN(CC3CCCC3)Cc3ccnn3C2)nc1	ZINC22_306142908	340.466	XNYILMWYHCJOCL-QGZVFWFLSA-N	00000010100000100101000000000010000000000000000000000000	31-01-068701
Cc1cccc(CN2CCc3nnc(CN4CCCCC4)n3CC2)n1	ZINC22_96259889,EMOLS-id_44371316,PC-id_97519970	340.466	GENUOLKUQAWVAV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068702
Cc1cccc(n1)NCC1CCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_316059078,MCULE-8653903376	340.466	DHAQLQLTFRASDK-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068703
Cc1cccc(NC[C@@H]2CCN(Cc3nnc4n3CCCCC4)C2)n1	ZINC22_365081708	340.466	DHAQLQLTFRASDK-INIZCTEOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068704
Cc1cccc(NC[C@H]2CCN(Cc3nnc4n3CCCCC4)C2)n1	ZINC22_365081709	340.466	DHAQLQLTFRASDK-MRXNPFEDSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068705
Cc1ccnc(c1)NCC1CCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_316058566,MCULE-3394924211	340.466	KVTKCZOIWAXTAV-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068706
Cc1ccnc(NC[C@@H]2CCN(Cc3nnc4n3CCCCC4)C2)c1	ZINC22_377297698	340.466	KVTKCZOIWAXTAV-INIZCTEOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068707
Cc1ccnc(NC[C@H]2CCN(Cc3nnc4n3CCCCC4)C2)c1	ZINC22_377297699	340.466	KVTKCZOIWAXTAV-MRXNPFEDSA-N	00000010100000101101000000000010000000000000000000000000	31-01-068708
CCc1cccc(c1NC(=NCc1nnc2n1CCCCC2)N)CC	PC-id_111031906	340.466	WVVQIRMINOWJLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068709
CCc1ccc(cc1)NC(=NCCCc1nnc2n1CCCCC2)N	PC-id_111093741	340.466	SZWBQTCYXCZKPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068710
CCc1cccc(c1)NC(=NCCCc1nnc2n1CCCCC2)N	PC-id_111093745	340.466	CWYIIFXEKJCMQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068711
C(CC1CN(CC2CCCC2)Cc2ccnn2C1)Nc1ncccn1	EMOLS-id_50376055	340.466	XNYILMWYHCJOCL-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-068712
CCC(c1ccc(cc1)NC(=NCc1nnc2n1CCCCC2)N)C	PC-id_111031876	340.466	MZGIKSUPVGAMQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068713
CCNC(=NCc1ccc(cc1)C)NCc1nnc2n1CCCCC2	PC-id_111244513	340.466	NAYGFZHAEJUEOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068714
CCNC(=NCc1ccccc1C)NCc1nnc2n1CCCCC2	PC-id_111359462	340.466	BGFOPHHFDCANOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068715
CCNC(=NCc1cccc(c1)C)NCc1nnc2n1CCCCC2	PC-id_111900233	340.466	QBXHHQDLTKATMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068716
CCNC(=NCc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_110954698	340.466	DOXCGNORYVGNAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068717
CCNC(=NCc1nnc2n1CCCCC2)NC(c1ccccc1)C	PC-id_110949644	340.466	PKKWJOAYENVSFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068718
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccccc1)C	PC-id_110951590	340.466	MNDPHQVPZAMECR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068719
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccccc1	PC-id_111134017	340.466	UARACGRBPLVESI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068720
CN1CCN(Cc2cnc3CCN(Cc4cccnc4)CCn23)CC1	PC-id_97467070,ZINC22_96196926,EMOLS-id_44328781	340.466	YRNIBOIUBANRLO-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068721
CN1CCN(Cc2cnc3CCN(Cc4ccncc4)CCn23)CC1	EMOLS-id_44328783,PC-id_97467071,ZINC22_96196927	340.466	SAWRNKJFTNPSCD-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068722
CN1CCN(CC2CN(Cc3ccccn3)Cc3nccn3C2)CC1	EMOLS-id_46160643	340.466	QOKIWLZKFCASDS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068723
CN1CCN(CC2CN(Cc3ccncc3)Cc3nccn3C2)CC1	EMOLS-id_44326375	340.466	CIJCKZSLMIYDCY-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068724
CN1CCN(C[C@H]2CN(Cc3ccccn3)Cc3nccn3C2)CC1	ZINC22_96067022,PC-id_97389348	340.466	QOKIWLZKFCASDS-KRWDZBQOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068725
CN1CCN(C[C@@H]2CN(Cc3ccccn3)Cc3nccn3C2)CC1	ZINC22_96067023,PC-id_97389349	340.466	QOKIWLZKFCASDS-QGZVFWFLSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068726
CN1CCN(C[C@H]2CN(Cc3ccncc3)Cc3nccn3C2)CC1	PC-id_97462968,ZINC22_96188532	340.466	CIJCKZSLMIYDCY-SFHVURJKSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068727
CN1CCN(C[C@@H]2CN(Cc3ccncc3)Cc3nccn3C2)CC1	PC-id_97462969,ZINC22_96188533	340.466	CIJCKZSLMIYDCY-GOSISDBHSA-N	00000000100010101101000000000010000000000000000000000000	31-01-068728
CN=C(N(Cc1ccccc1C)C)NCc1nnc2n1CCCCC2	PC-id_111286977	340.466	QRGSHJCQYKVGTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068729
CN=C(N(Cc1ccc(cc1)C)C)NCc1nnc2n1CCCCC2	PC-id_111289299	340.466	DOZHAWXSZGUOKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068730
CN=C(NC(c1ccccc1)C)NCCc1nnc2n1CCCCC2	PC-id_110949996	340.466	AXQYDJCGXYJPRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068731
CN=C(NCc1ccc(cc1)C)NCCc1nnc2n1CCCCC2	PC-id_111243629	340.466	LFGHYRNLDGHABG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068732
CN=C(NCc1ccccc1C)NCCc1nnc2n1CCCCC2	PC-id_111359576	340.466	GVQGLDFFPSQHQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068733
CN=C(NCc1cccc(c1)C)NCCc1nnc2n1CCCCC2	PC-id_111900343	340.466	TWGVRLTWALZWQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068734
CN(C(=NCc1ccccc1)NCCc1nnc2n1CCCCC2)C	PC-id_111039223	340.466	RSRILKSIVQUROU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068735
CN=C(NCc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_110953470	340.466	KDIVBNXSOSBZPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068736
CN=C(NCc1nnc2n1CCCCC2)NCc1ccccc1CC	PC-id_111635250	340.466	MONYRSOBJQLUJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068737
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1C)C	PC-id_111937739	340.466	URECVAQULLZEHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068738
CN=C(NCc1nnc2n1CCCCC2)NCC(c1ccccc1)C	PC-id_111342355	340.466	DYHBVDHSTFYCOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068739
CN=C(NCc1nnc2n1CCCCC2)NCCCc1ccccc1	PC-id_111199148	340.466	NGAGCOHOISBDMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068740
CN=C(NCCc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111136009	340.466	PTRGFMOUDGSTNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068741
N1NC(CC1CN(Cc1nn2c(c1)CNCCC2)C)c1ccccc1	PC-id_76437483	340.466	STTBDKMKFYBFCI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068742
NC(=NCCc1nnc2n1CCCCC2)Nc1cccc(c1)C(C)C	PC-id_111039185	340.466	QYNJOFGEAZDCEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068743
NC(=NCCCc1nnc2n1CCCCC2)Nc1ccc(c(c1)C)C	PC-id_111093723	340.466	ZCCNXRZBSZSZMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068744
NC(=NCCCc1nnc2n1CCCCC2)Nc1cc(C)cc(c1)C	PC-id_111093715	340.466	FDBYBGJZCZSOCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068745
NC(=NCCCc1nnc2n1CCCCC2)NCCc1ccccc1	PC-id_111093713	340.466	XPWZOJOHPZXWDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068746
s1cc(nc1c1ccccc1)C[NH2+]Cc1n2CCCCCc2nn1	PC-id_51923567	340.466	JUASOXCIOFERIH-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-068747
s1c2CCCCCCc2cc1C(=O)NC(CCSC)C(=O)[O-]	PC-id_74747836	340.481	MRBTWSFNHUQTSX-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-068748
s1c2CCCCCCc2cc1C(=O)N[C@@H](CCSC)C(=O)[O-]	PC-id_41119777	340.481	MRBTWSFNHUQTSX-LBPRGKRZSA-M	00000000100000000100000000000010000000000000000000000000	31-01-068749
s1c2CCCCCCc2cc1C(=O)N[C@H](CCSC)C(=O)[O-]	PC-id_41119779	340.481	MRBTWSFNHUQTSX-GFCCVEGCSA-M	00000000100000000100000000000010000000000000000000000000	31-01-068750
S(C(C1C=CC=CC=C1)c1c2-c(ccc2)cccc1)c1ccccc1	PC-id_15688040	340.481	WPWBWDWKJAZQNV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-068751
c1(cc2c(CCCCC2)s1)C(=O)N1CCN(CC1)c1ccccc1	ZINC22_3446456,MCULE-6329044146,CoCoCo_1067784,PC-id_2566608,TIMTEC184247,EMOLS-id_3317062	340.482	GZIMGPWLEVYEAL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-068752
c1(NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c(CCCCC2)n1	MCULE-1229627895	340.482	GIBRIYXCWAJDEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068753
CC(C)c1ccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)cc1	EMOLS-id_334603892	340.482	GIBRIYXCWAJDEJ-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068754
N[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_302494103,PC-id_120748192,MCULE-7757781801	340.482	UNPWXGRYZPLXFK-DLBZAZTESA-N	00000010100000110100100000000010000000000000000000000000	31-01-068755
O=C(c1cc2c(s1)CCCCCC2)N1CCC[C@H]1c1ccncc1	PC-id_32820285,ZINC22_25512202,CoCoCo_4663641	340.482	GVZDFOOGYKVCLM-KRWDZBQOSA-N	00000010100000101100100000000010000000000000000000000000	31-01-068756
O=C(c1cc2c(s1)CCCCCC2)N1CCC[C@@H]1c1ccncc1	ZINC22_25512199,PC-id_32820282,CoCoCo_4663642	340.482	GVZDFOOGYKVCLM-QGZVFWFLSA-N	00000010100000101100100000000010000000000000000000000000	31-01-068757
O=C(C1NCCCC1c1ccccc1)N1CCCc2c(C1)ccs2	EMOLS-id_319507741	340.482	WMNHMHALTCLBBI-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-068758
O=C(N1CCCC1c1ccncc1)c1sc2c(c1)CCCCCC2	MCULE-9207656797,EMOLS-id_44061234,PC-id_24658254	340.482	GVZDFOOGYKVCLM-UHFFFAOYSA-N	00000010100000101100100000000010000000000000000000000000	31-01-068759
O=C(NC(c1ccccc1)C1CC1)CN1CCCc2c(C1)ccs2	EMOLS-id_318070743	340.482	OQYQXEWPXOEFBM-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-068760
s1c2N(Cc3c(cc(cc3)C)C)C(=O)CN=C(c2c(c1C)CC)C	PC-id_53932951	340.482	ISJKJFHNSYKMNA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068763
s1c2N(CCCCc2nc1/C=C/c1cc(c(OC)cc1)C)CC=C	PC-id_19090441	340.482	IVAKBAKIIVCPLF-PKNBQFBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068764
s1c2N(CCCCc2nc1C=Cc1cc(c(OC)cc1)C)CC=C	PC-id_53936870	340.482	IVAKBAKIIVCPLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068765
s1c(C(=O)N(C2CC2)Cc2ncccc2)cc2c1CCCCCC2	PC-id_52486296	340.482	GKKVQQBNCBLJSF-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-068766
c12CN(CCCn1nc(CNC(=O)COC)c2)CCC(C)SC	PC-id_70728921,MCULE-9704078593,EMOLS-id_44431949	340.484	DDYOPNWNXPJZSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068767
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)C1CCCCC1	EMOLS-id_98803748	340.484	VQOUWFXVROFBQS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068768
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)CC1CCCC1	EMOLS-id_100375437	340.484	BWSJJEXHNQXTKR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-068769
COCC(=O)NCc1cc2n(n1)CCCN(CC[C@H](C)SC)C2	PC-id_96574291,ZINC22_82106491	340.484	DDYOPNWNXPJZSV-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068770
COCC(=O)NCc1cc2n(n1)CCCN(CC[C@@H](C)SC)C2	PC-id_96574292,ZINC22_82106493	340.484	DDYOPNWNXPJZSV-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068771
O=S(=O)(NCc1nnc2n1CCCCC2)CCC1CCCCC1	EMOLS-id_101345514	340.484	GZYVFZVLEPQYGR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068772
Cc1ccc(C)n1CC1CN(Cc2cccs2)Cc2nccn2C1	EMOLS-id_46183565	340.486	KLPJTBMNFLBPRZ-UHFFFAOYSA-N	00000000110100000101000000000010000000000000000000000000	31-01-068773
Cc1ccc(C)n1C[C@@H]1CN(Cc2cccs2)Cc2nccn2C1	PC-id_97406093,ZINC22_96086779	340.486	KLPJTBMNFLBPRZ-QGZVFWFLSA-N	00000000110100000101000000000010000000000000000000000000	31-01-068774
Cc1ccc(C)n1C[C@H]1CN(Cc2cccs2)Cc2nccn2C1	ZINC22_96086778,PC-id_97406092	340.486	KLPJTBMNFLBPRZ-KRWDZBQOSA-N	00000000110100000101000000000010000000000000000000000000	31-01-068775
CN(CC(=N)N1CCCc2c(C1=N)ccs2)CCc1ccccc1	PC-id_141859721	340.486	VJICHJQNYWIHSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068776
S=c1n2CCCCCc2nn1CN1CCC(=CC1)c1ccccc1	PC-id_27076183	340.486	IPIMJIYMABOQKZ-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-068777
CC1(Cc2c(CCO1)c(nn2COCC[Si](C)(C)C)C(=O)O)C	SCHEMBL15565578,PC-id_90037717	340.49	UZWHXKNTQNXRQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068778
CC1(Cc2c(CCO1)n(nc2C(=O)O)COCC[Si](C)(C)C)C	SCHEMBL15565753,PC-id_90037851	340.49	UHYQRDSXEIKDRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068779
CCCCOC(=O)C(c1ccccc2-c1c(cc2)CC(C)C)(CC)C	PC-id_141555871	340.499	DMHLHXJLFYGDAG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068780
CCCCOC(=O)C(Cc1ccc(cc2-c1ccc2C)C(C)C)CC	SCHEMBL10585688,PC-id_19913322	340.499	XVRQVTRPHNBTNQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068781
FCC(Oc1nc2c(s1)CCN(CC2)CCC1CCCCC1)C	PC-id_145451949	340.499	HKFLXYMKZIJPSS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068782
O=C(c1cc(c2-c1ccc(cc2)C(C)(C)C)C(C)(C)C)OC(C)(C)C	PC-id_102235726	340.499	NHRBEVOEJXJIKK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068783
CCOC(=O)c1sc(c2c1CCCCCCCCC2=O)SC	PC-id_139838775	340.501	UXRVTOZPTKMCRJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068787
O=C(N(C1CCS(=N)(=O)C1)C)c1sc2c(c1)CCCCCC2	MCULE-3130431411,EMOLS-id_320087452	340.504	TZUJMRVQTRZVGY-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-068788
O=C(Nc1nc2c(s1)CCCCC2)CSCC1CCCCO1	EMOLS-id_98124231	340.504	KTVPEOVNAIZLOT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068789
s1c2c(CCCCC2)c(c1NC(=S)NCC(C)C)C(=O)OC	PC-id_19650643	340.504	BBHSYPABDJCIQR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068790
s1c2c(CCCCC2)c(c1NC(=S)NCCCC)C(=O)OC	PC-id_19650668	340.504	TZYQLDZDBSOYHM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068791
s1c2c(CCCCC2)c(c1NC(=S)NC(C)(C)C)C(=O)OC	PC-id_19651920	340.504	PJESBDACOADDGS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068792
s1c2c(CCCCC2)c(c1NC(=S)NC(CC)C)C(=O)OC	PC-id_19652086	340.504	QBQFKNYBALVFDM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068793
s1c2c(CCCCC2)c(c1NC(=S)N(CC)CC)C(=O)OC	PC-id_19652968	340.504	VVHWMTONUHOGPF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068794
s1c2c(CCCCC2)c(c1NC(=S)NCCC)C(=O)OCC	PC-id_19650589	340.504	YARLWAAUXCFXNG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068795
s1c2c(CCCCC2)c(c1NC(=S)NC(C)C)C(=O)OCC	PC-id_19650628	340.504	SPLWIGWFWLRUTM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068796
s1c2c(CCCCCC2)c(c1NC(=S)NCCC)C(=O)OC	PC-id_19650585	340.504	DONWBIUDJUHQSV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068797
s1c2c(CCCCCC2)c(c1NC(=S)NC(C)C)C(=O)OC	PC-id_19650624	340.504	SLPJJVNBRXHNLK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068798
s1c2c(CCCCCC2)c(c1NC(=S)NCC)C(=O)OCC	PC-id_17297830	340.504	OHDQILJGRBLIBM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068799
S1CCN(CCCCN2CCOCC2)C(=O)c2c1sc(c2)C	PC-id_19881158	340.504	UJHVJTHGCFXYBM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068800
O=C(Nc1nc2c(s1)CCCCC2)NCCN1CCSCC1	EMOLS-id_99014768	340.507	RXDFJFBGPROQTD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068801
s1c2CCCCCc2cc1C(=O)NNC(=S)NCCN(C)C	PC-id_8726798	340.507	XQKPQAPMWDNQLN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068802
S1CC(NCc2nn3c(CN(CCC3)C(=O)C)c2)CSCC1	PC-id_70784433	340.507	IORGNYGOVVGINX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068803
c1(N=Cc2ccc(cc2)C)sc2c(CCCCCCCCCC2)n1	PC-id_3719313,MCULE-4317776010	340.525	BKLBENSVNWHQII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068804
Cc1ccc(cc1)/C=N/c1sc2c(n1)CCCCCCCCCC2	ZINC22_5065801,PC-id_9632650,EMOLS-id_26318659,STOCK3S-82735	340.525	BKLBENSVNWHQII-CJLVFECKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068805
C1COCCSCc2c(CSCCO1)sc(=S)s2	PC-id_90718930,CT-id_2222656	340.569	UXRRFVFIMRKIMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068806
CCCCCCCc1ccc2-c(cc1)cc(c2)[Si](CC)(CC)CC	PC-id_122222401	340.617	UDCITNWSPFBRQW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068807
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(C(Cl)(Cl)Cl)O	EMOLS-id_319688218	340.633	NEXHCJIDZDKFLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068808
Clc1cc(F)c(c(c1)F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101963961	340.756	BDQHBCUQLBWETB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068809
c1(C(=O)N2CCCn3c(cc(n3)C(CO)O)C2)n[nH]c(N)c1Cl	PC-id_91771686,MCULE-5610530222,EMOLS-id_55635862	340.765	VRASAHDUHWWAPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068810
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1[nH]nc(c1Cl)N)O	PC-id_99973850	340.765	VRASAHDUHWWAPB-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-068811
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1[nH]nc(c1Cl)N)O	PC-id_99973851	340.765	VRASAHDUHWWAPB-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068812
Cc1sc2c(n1)CCCCN2C(=O)c1cc(F)c(c(c1)Cl)O	EMOLS-id_319391574	340.8	MPOHZKALZZHMHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068813
C1CCc2nnc(n2CC1)/C(=C(/C=C/c1ccc(cc1)Cl)O)/C#N	PC-id_135576902	340.807	MAKYERLWXGHLOD-MZSNXBIOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068814
C1CCc2nnc(n2CC1)/C(=C(/C=Cc1ccc(cc1)Cl)O)/C#N	PC-id_135679190	340.807	MAKYERLWXGHLOD-AYDHAVAJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068815
Clc1ccc(C=CC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)cc1	PC-id_23762270	340.807	XSDFGGPZKOPRCY-ICHZJOQHSA-N	00000011000000110111000000000010000000000000000000000000	31-01-068816
Clc1ccc(/C=C/C(=O)/C(=C/N3CCCCCC3=NN2)/C#N)cc1	PC-id_6257991	340.807	XSDFGGPZKOPRCY-YUVUWNHWSA-N	00000011000000110111000000000010000000000000000000000000	31-01-068817
Clc1ccc(C=CC(=O)C(=C2N3CCCCCC3=NN2)C#N)cc1	PC-id_6843666	340.807	XSDFGGPZKOPRCY-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-068818
Clc1ccc(/C=C/C(=O)C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_7741414	340.807	XEWJNWAKPKEGAM-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068819
Clc1ccc(C=CC(=O)C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_78267422	340.807	XEWJNWAKPKEGAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068820
Clc1ccc(/C=C/C(=O)[C@@H](c2n3CCCCCc3nn2)C#N)cc1	PC-id_2319697	340.807	XEWJNWAKPKEGAM-VSGCLNPGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068821
COC1CN(Cc2cccn2C1)S(=O)(=O)c1ccccc1Cl	EMOLS-id_50012942	340.825	WFFWCACPZQTGLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068822
CO[C@H]1CN(S(=O)(=O)c2ccccc2Cl)Cc2cccn2C1	ZINC22_247902770	340.825	WFFWCACPZQTGLG-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068823
CO[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)Cc2cccn2C1	ZINC22_247902773	340.825	WFFWCACPZQTGLG-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068824
Clc1ccc(s1)CN(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102183153	340.832	MXVUVTKHTKMNQX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068825
Clc1n2c(c(n1)C(=O)CC(C(C)(C)C)C(=O)NC)CNCCC2	PC-id_76657229	340.848	IYFKUFRZXZPWEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068826
Clc1n2c(c(n1)C(=O)C[C@@H](C(C)(C)C)C(=O)NC)CNCCC2	PC-id_58135642	340.848	IYFKUFRZXZPWEO-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068827
C1CN(CCC2=C1N=C(S2)N)C(=O)C3=CC(=C(C=C3)Cl)Cl	PC-id_153741288	341.016	ULPGDQYELFROFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068828
C1CN(CCC2=C1N=C(S2)N)C(=O)C3=C(C=CC=C3Cl)Cl	PC-id_153741289	341.016	LROQYHLHVBFILK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068829
C1CN(CCC2=C1N=C(S2)N)C(=O)C3=C(C=C(C=C3)Cl)Cl	PC-id_163720748	341.016	KRJBDCCPDYYSBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068830
C1CN(CCC2=C1N=C(S2)N)C(=O)C3=CC=C(C=C3)C(F)(F)F	PC-id_163644230	341.081	IGVZJUFLZPMNMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068831
CC1CC2=C(CN(C1)S(=O)(=O)CC3(CCC3)C(=O)OC)C=NN2	PC-id_154784710,EMOLS-id_317781168,MCULE-1800164993	341.141	XHLBFDUONHBMNN-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-068832
CCOC(=O)c1c2-c(c(c1N)I)ccccc2	PC-id_101574923	341.144	IHRREVZHPJXQIV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068833
Brc1ccc(o1)C(=O)N1CCn2c(CC1)nn(c2=O)C	PC-id_91922387,MCULE-5160720985,EMOLS-id_50585861	341.161	TVOJZYPCQWRTDP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068834
Brc1ccc(o1)C(=O)NC1CCc2n[nH]c(=O)n2CC1	PC-id_91910798,MCULE-4419575242,EMOLS-id_50586679	341.161	PAGHILNNOYXERJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068835
CC(C)N1C2=C(CCN(CC2)C(C)C3=CC4=C(C=C3)SC=N4)N=N1	PC-id_154685844	341.167	NXTDEIBCBHQKOQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068836
C1CN(CCn2c1n[nH]c2=O)Cc1c(cc(cc1)Br)F	PC-id_91922373	341.179	CSQCRWQZXZZNPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068837
Fc1ccc(CN2CCc3n[nH]c(=O)n3CC2)cc1Br	MCULE-7061767067,EMOLS-id_50585833,PC-id_91910596	341.179	XBFJHNSAGLNSCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068838
CCOC(=O)c1c2-c(c(c1Cl)C(=O)OCC)ccc(cc2)Cl	PC-id_102108073,1514727_OpenMolecule,CT-id_1514727	341.186	ZASKVPQXCOUJIY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068839
CCCCC1=C(N2CCCCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CN3C	PC-id_152767949	341.187	OJRNEIWDCNATEK-UHFFFAOYSA-M	00000000110000000100000000000010000000000000000000000000	31-01-068840
CCCCN1C=CC=C1C(=O)C2=C(C=C3N2CCCCC3C(=O)[O-])C	PC-id_152767892	341.187	ZDPNFOCOKPZCAG-UHFFFAOYSA-M	00000000110000000100000000000010000000000000000000000000	31-01-068841
CCCN1C=CC=C1C(=O)C2=C(C=C3N2CCCCC3C(=O)[O-])CC	PC-id_152767981	341.187	WOAJZTNTQZOGLD-UHFFFAOYSA-M	00000000110000000100000000000010000000000000000000000000	31-01-068842
O=C(C1CCn2c(CC1)nnc2)Nc1cc(Cl)c(c(c1)Cl)O	EMOLS-id_320214305,MCULE-5871802889	341.193	YFXFHXRDFZPTNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068843
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ncc(c(c1)Cl)Cl	MCULE-1866390291,EMOLS-id_320142749	341.196	MFWGVKYZJDDVRW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068844
O=C(Nc1ccc(c(c1)Cl)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102025252	341.196	PIVMQMUEKTUUSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068845
O=C(Nc1ccc(cc1Cl)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102025402	341.196	DRQKKGFGKHMHDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068846
O=C(Nc1cc(Cl)ccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102025279	341.196	CHKAWINECGTJRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068847
O=C(Nc1cc(Cl)cc(c1)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102025414	341.196	XLBMAAUEAHUNFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068848
CN(Cc1nnc2n1CCOCC2)Cc1[nH]ncc1Br	EMOLS-id_319019908	341.207	PXHXPLIJJREMTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068849
CC(C)N1C2=C(C(CCCCC2)CC3=CC=C(C=C3)C(=O)OC)N=N1	PC-id_155054565	341.21	NJSIIZOCBBSYRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068850
CC1(CC2=C(CN(C1)C(=O)NC3=CN=C(C=C3)C(C)(C)C)C=NN2)C	MCULE-3875538660,PC-id_154770593,EMOLS-id_317386247	341.222	YOXOYTOMDMUWAR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068851
CC(C)(C)NC(=O)C1=CC=C(C=C1)NCC2=NN=C3N2CCCCC3	PC-id_154736335,MCULE-7465081276,EMOLS-id_317746324	341.222	UBPSJZZNRWSXFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068852
CC(C)CNC(=O)C1=CC=CC=C1NCC2=NN=C3N2CCCCC3	PC-id_154745941	341.222	CSJRMEJDICQFAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068853
Brc1ccc(o1)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_323469339,MCULE-8767906681	341.224	IREZIXJEXOJXHJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068854
Brc1occ(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318904998	341.224	ASUCNICVERJJPJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068855
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1sncc1Br	EMOLS-id_318912004	341.227	DCLGLKWVNCGKKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068856
O=C(c1c(Br)snc1C)N1CCCc2c(C1)c[nH]n2	EMOLS-id_318394186,MCULE-4188774147	341.227	XIIVABUAWQELRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068857
O=C(C1CCn2c(CC1)nnc2)Nc1cscc1Br	EMOLS-id_278169612	341.227	MUQSBFDKMVGJGI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068858
Brc1c(N)ncnc1Sc1nnc2n1CCCCC2	PC-id_108369858	341.23	UPDUEATYXHPUMT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-068859
Brc1c(Sc2n3CCCCCc3nn2)nc(nc1)N	PC-id_80883179	341.23	ADFRIHWTLHXTDN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-068860
Nc1nc(nc(c1)Br)Sc1nnc2n1CCCCC2	PC-id_116798161	341.23	CQPJBWIRZJAWRD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-068861
O=C(C1(C)CC1Br)NCCc1nnc2n1CCCCC2	EMOLS-id_316565539	341.247	GGHNNCSBWXSMFQ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-068862
Clc1c(OC(=O)c2sc3CCCCCc3c2)cc(Cl)cc1	PC-id_7918257	341.252	YRPWYLWPBIPGKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068863
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(c(Cl)c1)Cl	EMOLS-id_323451177,MCULE-6686074736	341.255	HUOFFVFXOQHRMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068864
Clc1ccc(Cl)c(c1)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_44038000,ZINC22_12816550,PC-id_24241565,MCULE-1500170728,CoCoCo_4546058	341.255	JRTHVSBNBLCNOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068865
Clc1ccc(C(=O)Nc2nc3CCCCCc3s2)c(Cl)c1	ZINC22_12828283,MCULE-9717316245,CoCoCo_4546036,PC-id_17518576,EMOLS-id_16730024	341.255	HATCXIJZSJQLRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068866
O=C(Nc1nc2c(s1)CCCCC2)c1cccc(Cl)c1Cl	CoCoCo_4546057,EMOLS-id_16726246,ZINC22_12828471,PC-id_17517195,MCULE-6308119975	341.255	NCYQUPRYBPFGHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068867
PNC(=O)C1=NOCO/N=C(Cn2c(C1)c(C)nn2)/C(=O)NC	PC-id_58488916,SCHEMBL12239871	341.263	BXWSHPCPQRXFQB-QMAYSTCJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-068868
PNC(=O)C1=NOCON=C(Cn2nnc(c2C1)C)C(=O)NC	PC-id_68222548	341.263	BXWSHPCPQRXFQB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-068869
Brc1cnn(c1C(c1cc2c(s1)CCCCC2)O)C	PC-id_115839223	341.267	JTLJWFKQAXHQCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068870
BrC(C(=O)Nc1sc2CCCCCc2c1C#N)CC	PC-id_62856463	341.267	WDJQNHSFQQFCAN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068871
N#Cc1c(sc2c1CCCCC2)NC(=O)C(Br)(C)C	PC-id_114327382	341.267	CKCPLMNTZKDMAO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-068872
NNC(c1occc1Br)c1cc2c(s1)CCCCC2	PC-id_113701982	341.267	ZWDKAXWWRONGKL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-068873
Brc1ccc(CNCc2nnc3n2CCCCC3)s1	EMOLS-id_300593718,ZINC22_71839233,PC-id_56827894,MCULE-3352540350,CHEMBL3553156	341.27	LSFTUTLDXDGWOT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068874
Brc1cc(CNCc2nnc3n2CCCCC3)cs1	PC-id_45886849,MCULE-6566443947,ZINC22_40091383	341.27	CHWGRCCRCWVPIK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-068875
Cn1nnc(c1C(c1cc2c(s1)CCCCC2)N)Br	PC-id_106464840	341.27	UJGXDAVUWBLKCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068876
Brc1ccc(s1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_315141242,PC-id_63492516	341.286	DLKJJAXWMWRRTK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-068877
Brc1ccsc1C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_315443190,PC-id_80535092	341.286	ZLWIJNJHAOXRBS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-068878
Brc1cscc1C(=O)c1cc2c(s1)CCCCC2	PC-id_115784155	341.286	KOFKARKHXNRVLX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-068879
Cc1cc(nc(n1)C(F)(F)F)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179600	341.292	MPKXANVFMMUUNJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-068880
Clc1ccc(c(c1)CC(c1cc2c(s1)CCCCC2)O)Cl	PC-id_115802009	341.295	UZWKVHQDRFYUKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068881
Clc1ccc(c(c1)Cl)CC(c1cc2c(s1)CCCCC2)O	PC-id_115785111	341.295	XWNUNQXOJMJEFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068882
Clc1cc(CC(O)c2sc3c(CCCCC3)c2)ccc1Cl	PC-id_63519317	341.295	PTDLGZGIKNTGDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068883
ClC(c1sc2CCCCCc2c1)c1cc(Cl)c(OC)cc1	PC-id_63430778	341.295	KJJBAGCVINMQPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068884
ClC(c1sc2c(CCCCC2)c1)c1c(Cl)cc(OC)cc1	PC-id_63434125	341.295	YOKJLLPBXARGIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068885
COc1ccc(cc1C(c1cc2c(s1)CCCCC2)Cl)Cl	PC-id_104546414	341.295	MUAVJNZFZSWXLJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068886
OC(c1cc2c(s1)CCCCC2)Cc1cccc(c1Cl)Cl	PC-id_107312552	341.295	XREFHBJUVSLTOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068887
OC(c1cc2c(s1)CCCCC2)Cc1c(Cl)cccc1Cl	PC-id_115782536	341.295	IQCVDLLRFXYFGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068888
NNC(c1ccc(c(c1)Cl)Cl)c1cc2c(s1)CCCCC2	PC-id_105281257	341.299	JWBCAVGLHNGZNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068889
NNC(c1cccc(c1Cl)Cl)c1cc2c(s1)CCCCC2	PC-id_105301594	341.299	ADEKDXFBBBJJSW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068890
NNC(c1cc(Cl)ccc1Cl)c1cc2c(s1)CCCCC2	PC-id_105301934	341.299	XMUABYSNEMGXBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-068891
Fc1c(NC(=O)Cn2nc3c(c2)CCCCC3)c(F)c(F)cc1F	PC-id_11957288,CHEMBL1446320,CoCoCo_2192310,ChEMBL-DNDi_CHEMBL1446320	341.303	JYOGHPRZKHSOBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068892
O=c1oc2-c(c1[S+](OS(=O)(=O)C(F)(F)F)C)ccccc2	PC-id_102393740	341.303	ZXFLFJONMUNYHV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-068893
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1c(c(c(cc1)F)F)F	PC-id_90625519	341.308	BTJUHGWEYCJHGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068894
CCCc1nccc(c1)Nn1ccc2c1OC(=O)C(=CC(=O)O2)C=O	PC-id_140351874	341.318	VONYADBEGYQUHS-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-068895
CCCc1nccc(c1)Nn1ccc2c1OC(=O)C=C(C(=O)O2)C=O	PC-id_140351880	341.318	GMNQFUCXOPRMFJ-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-068896
C1Cn2cc(nc2OCCN1C(=O)c1cc2ccccc2[nH]1)[N+](=O)[O-]	PC-id_89584386,SCHEMBL14971106	341.321	UNBSNHJXWJXDCR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068897
COC(=O)c1cc2CN(CCCn2n1)C(=O)c1cccc2nnnn12	ZINC22_65372653,MCULE-2668606044,EMOLS-id_32372546,PC-id_50950501	341.325	DVFKWFHTQFWJAS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068898
CON(C(=O)Nc1n[nH]nn1)C(=O)Cc1ccc2-c(cc1)cc(c2)N	PC-id_141055242	341.325	XYOKCZWYXABKBS-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-068899
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCc1occc1	PC-id_19523683	341.328	IMIDRSAVKVZLNF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068900
BrC(c1sc2c(CCCCC2)c1)c1sc(cc1)C	PC-id_55199885	341.329	JXZATVIRYSVYNO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-068901
BrC(c1sc2c(CCCCC2)c1)Cc1ccsc1	PC-id_63542210	341.329	OUOKAZNFACLMQE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-068902
BrC(c1sc2c(CCCCC2)c1)Cc1sccc1	PC-id_63543109	341.329	BDIWCFOECPWPPL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-068903
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccn(n1)CCC(F)(F)F	EMOLS-id_319941008,MCULE-3219523492	341.332	MBMPUZQWLSIKIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068904
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cn(nc1C)CC(F)(F)F	EMOLS-id_319437377	341.332	NIYSLJJNKSTEEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068905
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccn(n1)CC(F)(F)F	MCULE-4140552232,EMOLS-id_320074768	341.332	SWSROVCGKXYXDH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068906
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC(C(F)(F)F)n1cncc1	EMOLS-id_320207777,MCULE-6819312386	341.332	FBUFBSYQIPDGIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068907
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(n1ccc(n1)C(F)(F)F)C	EMOLS-id_318992402	341.332	GGYQVCGSDIRDBC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068908
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1nc(cc1C)C(F)(F)F	MCULE-5406356174,EMOLS-id_320113748	341.332	NCTKEORGXZXEML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068909
CCn1nc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)C(F)(F)F	EMOLS-id_101678207	341.332	WBRSDPINXBWPCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068910
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1nn(cc1)C	PC-id_19523793	341.332	GSEUAULGWUVGGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068911
OCc1cc(NCc2nnc3n2CCCCC3)nc(c1)C(F)(F)F	EMOLS-id_318983208	341.332	SZDGFFCVZYVYRG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068912
O=C(c1ncn(c1)CC(F)(F)F)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-6912284581,EMOLS-id_319908262	341.332	FJVDABFIGAGDGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068913
O=C(N1CCCc2c(C1)cnn2C)Cc1ccn(n1)CC(F)(F)F	EMOLS-id_319806940	341.332	GPOIPFOLFWENJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068914
Fc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)cc1F	EMOLS-id_33086314,PC-id_53182799,MCULE-8042324286	341.333	LIRYJCAEICGYAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068915
Fc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c(F)c1	MCULE-2564035876,PC-id_53182784,EMOLS-id_33086250	341.333	LUXRPMKNIWMSSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068916
FC(c1nnc2n1CCN(C2)Cc1nnc2n1CCCCC2)(F)F	EMOLS-id_111103860	341.335	ZESKSCSMYMPDOR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-068917
Fc1cccnc1OC1CN(Cc2cccn2C1)C(=O)c1ccoc1	EMOLS-id_50373607	341.336	XEGONJPZGVDANF-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-068918
O=C(c1ccoc1)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_247886249	341.336	XEGONJPZGVDANF-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-068919
O=C(c1ccoc1)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_247886254	341.336	XEGONJPZGVDANF-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-068920
Fc1cccc(c1)n1ncc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_319920119,MCULE-7520678052	341.343	YMYVECVNXDMSOP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068921
Fc1cnccc1C(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_46160721	341.343	IREUKVQKCKBPGS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068922
OCc1cc2CN(CCCn2n1)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O	PC-id_91780432,MCULE-6501463970,EMOLS-id_55661179	341.343	MISDDACNAQYNCN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-068923
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)F)n1ncnc1	EMOLS-id_278116886	341.343	SCUZPWILRVMUQH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068924
O=C(c1ccncc1F)N1Cc2nccn2C[C@H](Cn2cncn2)C1	PC-id_97389417,ZINC22_96067094	341.343	IREUKVQKCKBPGS-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068925
O=C(c1ccncc1F)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	PC-id_97389418,ZINC22_96067095	341.343	IREUKVQKCKBPGS-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068926
c12N=C(O)CSC(C(F)(F)F)c1c(nn2Cc1ccccc1)C	EMOLS-id_44212212,EMOLS-id_49406553,STOCK7S-34426,MCULE-4796753529,PC-id_135635495	341.351	WZYZNWWCKKQHIF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068927
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cn1)C(F)(F)F	EMOLS-id_319315019	341.351	SWJUKPLPDZSCTD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068928
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(nc1)C(F)(F)F	EMOLS-id_318832461	341.351	QDUCYPHMTONRNQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068929
Cc1nc2c(s1)N(CCCC2)C(=O)c1cncc(c1)C(F)(F)F	EMOLS-id_319227002	341.351	LGVSKCOHFDMMMT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068930
Cc1nc2c(s1)N(CCCC2)C(=O)c1nccc(c1)C(F)(F)F	EMOLS-id_320178729,MCULE-8429199013	341.351	XTNDVPSASWJEGR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068931
Cc1nn(Cc2ccccc2)c2c1[C@@H](C(F)(F)F)SCC(=N2)O	PC-id_136669791,ZINC22_79490220	341.351	WZYZNWWCKKQHIF-ZDUSSCGKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068932
Cc1nn(Cc2ccccc2)c2c1[C@H](C(F)(F)F)SCC(=N2)O	PC-id_136669792,ZINC22_79490225	341.351	WZYZNWWCKKQHIF-CYBMUJFWSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068933
s1c2CCCCCc2nc1NC(=O)c1ccc(nc1)C(F)(F)F	PC-id_43044274	341.351	GTOOSGCPCZOSMF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068934
CC1/C=c/[nH]c(n/c2=C/COC(O1)(F)F)NC(=O)C1CCCCC1	PC-id_145689560	341.353	AJUDLORELXXXJT-QYFNTBEASA-N	00000000100010000111000000000010000000000000000000000000	31-01-068935
FC(CN1CCC(C1)CNC(=O)c1coc2c1C(=O)NCCC2)F	MCULE-4584326114,EMOLS-id_320036786	341.353	YYEHRZQHJLPZLW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-068936
O=C(c1coc2c1C(=O)NCCC2)N1CCN(CC1)CC(F)(F)C	EMOLS-id_318850668	341.353	KTRUWTCARJJLMU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-068937
CC(C)NC(=O)C1CN(Cc2ncnn2C1)C(=O)C1CC(F)(F)C1	EMOLS-id_313724889	341.356	YQJMHVKHYYNOGF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-068938
CC(C)NC(=O)[C@@H]1CN(C(=O)C2CC(F)(F)C2)Cc2ncnn2C1	ZINC22_1565549667	341.356	YQJMHVKHYYNOGF-LLVKDONJSA-N	00001000100000000101000000000010000000000000000000000000	31-01-068939
CC(C)NC(=O)[C@H]1CN(C(=O)C2CC(F)(F)C2)Cc2ncnn2C1	ZINC22_1614935923	341.356	YQJMHVKHYYNOGF-NSHDSACASA-N	00001000100000000101000000000010000000000000000000000000	31-01-068940
o1nc(c2c1c(=O)cccc2)C=Cc1cc(Oc2ccccc2)ccc1	PC-id_78635680	341.359	RLQAHCIFCJBDPE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068941
o1nc(c2c1c(=O)cccc2)/C=C/c1cc(Oc2ccccc2)ccc1	PC-id_8219212	341.359	RLQAHCIFCJBDPE-BUHFOSPRSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068942
O=c1ccccc2c1onc2/C=Cc1cccc(c1)Oc1ccccc1	PC-id_99930497	341.359	RLQAHCIFCJBDPE-YPKPFQOOSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068943
CCOc1oc2c(n1)cc(cc2)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_319761867	341.361	SVZXTSOKMJLRRA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068944
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1cccc2nonc12	PC-id_56888485,MCULE-4023604123,EMOLS-id_43083295,ZINC22_72409334	341.364	AUPUDTYJLARBOU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068945
c12CN(CCCn1nc(CO)c2)C(=O)c1ccc(Cn2cccn2)o1	MCULE-9370769813,PC-id_91793999,EMOLS-id_55700601	341.364	GSQFDBMGDZQSFT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068946
c12CN(CCCn1nc(CO)c2)C(=O)c1ccc(Cn2ccnc2)o1	MCULE-3198803110,PC-id_91760068,EMOLS-id_55602960	341.364	QPISMJZSOKRXRT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068947
c1(C(=O)Nc2cccc(c2)N2CCOC2=O)cn2c(CCNCC2)n1	MCULE-8315055538,EMOLS-id_330492238,ZINC22_1857737518	341.364	QRROXFZLSYCWSO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-068948
Cc1nc2c(o1)cccc2NC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_316682016	341.364	PDRRMCWPJUAAGR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068949
Cc1oc2c(n1)ccc(c2)NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_86924827	341.364	XMGQZYONJMMPBX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068950
CCOCC(=O)N1Cc2ccnn2C[C@@H](Oc2ccc(C#N)cn2)C1	ZINC22_248341725	341.364	ZPGBTHGYTVGNJN-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068951
CCOCC(=O)N1Cc2ccnn2C[C@H](Oc2ccc(C#N)cn2)C1	ZINC22_248341726	341.364	ZPGBTHGYTVGNJN-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068952
CCOCC(=O)N1CC(Cn2nccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50013490	341.364	ZPGBTHGYTVGNJN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-068953
Cn1c(=O)n2CCN(CCc2n1)C(=O)c1cc2c([nH]1)cc(cc2)OC	MCULE-6904037516,PC-id_91910627,EMOLS-id_50585889	341.364	RCHTWAVHQCSODP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-068954
Cn1nc(C(=O)N2Cc3ccoc3CC(C)(C)C2)c2nc[nH]c(=O)c12	MCULE-6605183441,PC-id_145910756,EMOLS-id_323957200,ZINC22_1875403968	341.364	NJRRQIOBJJEITG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068955
O=C1C(CCn2c(N1C)cnc2)NC(=O)c1ncc2c(c1)C(C)OC2	SCHEMBL19658936	341.364	NQCUPSAYCGAJNT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068956
O=C1C(CCn2c(N1C)ncc2)NC(=O)c1ncc2c(c1)C(C)OC2	SCHEMBL19658589	341.364	CPTLQBMDJASVJG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068957
O=c1n(Cc2nc(COc3ccccc3)no2)nc2n1CCCCC2	MCULE-9373588413,ZINC22_96405223,PC-id_72019839,EMOLS-id_49007411	341.364	PCWPUWWFRARFBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068958
O=C(c1cc[nH]n1)N1CCCn2cnc(COCc3ccco3)c2C1	EMOLS-id_46183163,PC-id_97405888,ZINC22_96085071	341.364	OAKPDLZOMVBJML-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068959
O=C(c1coc2c1C(=O)NCCC2)N1CCN(CC1)c1ccnnc1	EMOLS-id_320254698,MCULE-6801001336	341.364	ZNYQRBIPUFMZLH-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-068960
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc2c(c1)C(=O)NC2	PC-id_86872737	341.364	BDPSAAWOPVPCBP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-068961
O=C(NCCc1nnc2n1CCCCC2)c1cc(c2ccco2)on1	PC-id_121544490,MCULE-3761054662,ZINC22_42766058,EMOLS-id_75969742	341.364	SUNMJZFZLFTQBW-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-068962
O=C(OCCn1nc2ccccn2c1=O)c1n[nH]c2c1CCCCC2	MCULE-9905864365,ZINC22_170608493,PC-id_91652079,EMOLS-id_50358457	341.364	KOONPYXCDBBFGK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068963
c12C(CCCCn1nnn2)C(=O)NCc1[nH]c2c(ccc(OC)c2)n1	MCULE-2914544095,EMOLS-id_232884245	341.368	LFPOEOCYKMSEDF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068964
c12CN(CCCn1nc(CNc1ncnc3onc(C)c13)c2)C(=O)C	MCULE-1191321209,PC-id_70785326,EMOLS-id_44451633,ZINC22_82162023	341.368	VVCZAOPCSBOMDX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068965
c1(C(=O)N2CCCn3nc(CO)cc3C2)nnc2nc(C)cc(C)n12	PC-id_91795905,EMOLS-id_55706208,MCULE-5125279255	341.368	XJQLHRLNGKWGFX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068966
Cc1ccc(C(=O)N2CCCn3nnc(Cn4nncc4C)c3C2)o1	ZINC22_1565553551,EMOLS-id_313784474	341.368	CXOYKPHMKNDATF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-068967
CCn1c(N)nc2cc(cnc12)C(=O)N1CCc2[nH][nH]c(=O)c2CC1	PC-id_70774809,ZINC22_77505448,EMOLS-id_43597615,MCULE-9879457752	341.368	BABRVLNJSAXDDY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068968
COc1ccc2nc(CNC(=O)[C@@H]3CCCCn4nnnc34)[nH]c2c1	ZINC22_824757814	341.368	LFPOEOCYKMSEDF-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068969
COc1ccc2nc(CNC(=O)[C@H]3CCCCn4nnnc34)[nH]c2c1	ZINC22_824757815	341.368	LFPOEOCYKMSEDF-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-068970
N=c1nc(N)c2c(c(n1)N)ncn2COCCOCc1ccccc1	PC-id_101142531	341.368	IJSVGLSYXASYNW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-068971
O=C1CCCN1Cc1nnc2n1CCN(C(=O)c1ccnnc1)CC2	PC-id_97519951,EMOLS-id_44371280,ZINC22_96259870	341.368	WPCVJENULUKQBC-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-068972
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnc2c(c1)c(C)[nH]n2	PC-id_86843443	341.368	IUABYSXUAVLDNN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068973
O=C(Nc1c(C)ccn2c1nnc2)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_316730877	341.368	FMFBHYDFNBKDKO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068974
Brc1sc(Br)c2OCC(COc12)(C)C	SCHEMBL14748807,PC-id_71286982	342.047	OHXOGDYAWMEISD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069756
c1(c[nH]nc1n1cnnn1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_215641835,PC-id_77087118,EMOLS-id_49881382,MCULE-4598535346	341.371	MKGPZXWMWNIYKF-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-068975
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)nnc(n2cnnc2)[nH]1	MCULE-5042417715,ZINC22_1940196959,EMOLS-id_336463297	341.371	HSNQXWYXYFAARE-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-068976
Cc1cnnn1Cc1ncn2c1CN(C(=O)c1ncn(C)n1)CCC2	ZINC22_1565546029,EMOLS-id_313731293	341.371	RBKBGJIGKJDGPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068977
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cccc(c1)C(F)F	EMOLS-id_320187594,MCULE-9483852913	341.376	NCWDUDGEVZINQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068978
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(cc1)C(F)F	MCULE-7886646086,EMOLS-id_319832476	341.376	REYAJTIRNAZRDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068979
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(c(c1F)F)C	EMOLS-id_319476261	341.376	RBQGHIIROVCRML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068980
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cc(F)c(cc1F)C	EMOLS-id_319587754	341.376	UNQDFMBWTXZJLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068981
Cc1cc(S(=O)(=O)N2CCCc3c(cnn3C)C2)c(F)cc1F	EMOLS-id_101948670,MCULE-5254515726,ZINC22_333374698	341.376	MYIGCVBIACJODL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068982
C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)c1nnc2n1CCCCC2	ZINC22_154212788	341.376	LUPDBVFXDUTGQR-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-068983
C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)c1nnc2n1CCCCC2	ZINC22_154212897	341.376	LUPDBVFXDUTGQR-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068984
Fc1cccc(c1CS(=O)(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101948694	341.376	URJCSXXQWABZAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068985
Fc1cc(ccc1F)C(S(=O)(=O)c1nnc2n1CCCCC2)C	PC-id_146132508	341.376	LUPDBVFXDUTGQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068986
Fc1cc(C)c(cc1S(=O)(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101948634	341.376	JUINLTCAFACKEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068987
FC(c1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101950986	341.376	VMZITCQWHSFBDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068988
FC(Cn1ccc(n1)NC(=O)Nc1nc2c(s1)CCCCC2)F	PC-id_100908228	341.379	SYACWXWOUWUGMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-068989
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1ccc(cc1)F	PC-id_90625585	341.381	MAVLEASXHSLUSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068990
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1ccccc1F	PC-id_90625618	341.381	WBCUZTYAMAKJTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068991
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1cccc(c1)F	PC-id_90625620	341.381	HPAZOWZZWUANCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068992
O=C(ON1C(=O)c2ccccc2C1=O)c1cc2CCCCCc2s1	MCULE-5255070981,EMOLS-id_316798585	341.381	BAHVUIYEWOSLIO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-068993
c12nnnn1CCCCC2C(=O)N1CCC(=CC1)c1ccc(cc1)F	MCULE-1042683290,EMOLS-id_49665446,PC-id_74243111	341.383	XQOIBFABCSFBDN-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-068994
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)nc2n(cccc2)c1F	MCULE-1490591193,PC-id_72889570,ZINC22_91656842,EMOLS-id_46062669	341.383	VWSAKGCUZSDMBS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068995
CC1CN(Cc2onc(n2)c2ccc(c(c2)C)F)Cc2c(C1)[nH]nc2	EMOLS-id_319272505	341.383	CQBQQVAWIBKQFI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-068996
CC1CN(Cc2onc(n2)Cc2cccc(c2)F)Cc2c(C1)[nH]nc2	MCULE-8847284298,EMOLS-id_320130689	341.383	QYEHUCIISZLMTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-068997
Cn1c(CCN[C@@H]2CCNC(=O)c3[nH]ccc23)nc2cc(F)ccc12	ZINC22_2325803601	341.383	QAZPRIAXOKSZIU-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068998
Cn1c(CCN[C@H]2CCNC(=O)c3[nH]ccc23)nc2cc(F)ccc12	ZINC22_2325803602	341.383	QAZPRIAXOKSZIU-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-068999
Fc1ccc2c(c1C(=O)N1Cc3cnn(c3CC(C1)(C)C)C)nc[nH]2	EMOLS-id_319962231,MCULE-7086902703	341.383	GCCMLACFPOXOIM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069000
O=C(c1ccccc1)C[n+]1ccnc(c1)Oc1cc2-c(c1)ccccc2	PC-id_139736332	341.383	RMTUYIJMPHUBRS-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-069001
O=C(c1ccccc1)C[n+]1ccncc1Oc1cc2-c(c1)ccccc2	PC-id_139736690	341.383	WZOUACJXMQIJFP-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-069002
O=C(c1cncc[n+]1Cc1ccccc1)Oc1cc2-c(c1)ccccc2	PC-id_139737980	341.383	UYGWWMYAWORTFZ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-069003
O=C(c1ncc[n+](c1)Cc1ccccc1)Oc1cc2-c(c1)ccccc2	PC-id_139736727	341.383	SHQFKTQJQMGGTI-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-069004
O=C(Cc1c[nH]c2cc(F)ccc12)NCc1nnc2n1CCCCC2	ZINC22_69486606,MCULE-2129041561,EMOLS-id_36302008,PC-id_53570037	341.383	CISJWTJUFFIQEZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-069005
O=C([C@H]1CCCCn2nnnc12)N1CC=C(c2ccc(F)cc2)CC1	PC-id_97931174,ZINC22_97655416	341.383	XQOIBFABCSFBDN-INIZCTEOSA-N	00000000100011110101100000000010000000000000000000000000	31-01-069006
O=C([C@@H]1CCCCn2nnnc12)N1CC=C(c2ccc(F)cc2)CC1	ZINC22_97655415,PC-id_97931173	341.383	XQOIBFABCSFBDN-MRXNPFEDSA-N	00000000100011110101100000000010000000000000000000000000	31-01-069007
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCCCC2)c1C#N	ChEMBL-DNDi_CHEMBL3379-0968,ZINC22_169006,MCULE-3999658053,CoCoCo_201688,EMOLS-id_1338789,TIMTEC286557,PC-id_737787,BAS-01506011	341.384	LJFXIALEZOGVSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069008
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C#N	TIMTEC508108,BAS-01506007,CoCoCo_201685,PC-id_847351,EMOLS-id_1338783,ZINC22_380928,MCULE-8890049746	341.384	VQNYJYKLVWWFQL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069009
N#Cc1cc2c([nH]1)C(=CN(CC2(C)C)C(=O)c1cccs1)C(=O)O	SCHEMBL4229498,PC-id_68965823	341.384	MBZNHPOAMCEKIV-UHFFFAOYSA-N	00000000100100000110000000000010000000000000000000000000	31-01-069010
s1c2CCCCCc2c(c1NC(=O)c1cc([N+](=O)[O-])ccc1)C#N	PC-id_964975	341.384	NVGRZYODWVFUDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069011
Cc1nn(c2=NCC=C(CC=c12)Nc1nc(c(cc1C(=C)N)F)N)C	SCHEMBL19790539,PC-id_134187715	341.386	BHHZHBIBUVYNAF-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-069012
c12C(=O)NCCCc1nc(NC(=O)Cn1c3ccccc3nc1)s2	EMOLS-id_48619006,PC-id_72719960,ZINC22_96124376,MCULE-7332170956	341.388	TXSPUWUDCWOYON-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069013
Cc1c(n2ccccc2n1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625449	341.388	FSFWVPHXOVQCMW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069014
NN[C@H](C(=O)N[C@H]1Cn2nnc(c2)C[C@H](CC1=O)C(=O)N)CS	PC-id_58537164,SCHEMBL12024084	341.389	AUMMYXFHTXNEBK-YEPSODPASA-N	00000000100000000101000000000010000000000000000000000000	31-01-069015
SCC(NN)C(=O)NC1Cn2nnc(CC(CC1=O)C(=O)N)c2	PC-id_76816488	341.389	AUMMYXFHTXNEBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069016
O=C(C1CCn2c(CC1)nnc2)Nc1ncc(s1)c1nccnc1	MCULE-2640309569,EMOLS-id_320139883	341.391	XABRCXSITOJCJC-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-069017
s1c2c(C(Oc3ccc(cc3)C(F)(F)F)CCN(C2)C)cc1C	PC-id_68700381	341.391	VZMCHHRRGUPCCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069018
COC1(CCC(CC1)C(F)F)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319466931	341.396	UEHZDWYFWIAEHY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069019
CN(C)CC(=O)N1Cc2ccnn2CC[C@@H]1CN1CCC(F)(F)C1	ZINC22_585098626	341.399	ZTXKCKIDLGLIME-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069020
CN(C)CC(=O)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1	ZINC22_585098627	341.399	ZTXKCKIDLGLIME-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069021
CN(C)C(=O)CN1Cc2ccnn2CCC1CN1CCC(F)(F)C1	EMOLS-id_313815335	341.399	FJSDQQVKGBJICE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069022
CN(C)C(=O)CN1Cc2ccnn2CC[C@@H]1CN1CCC(F)(F)C1	ZINC22_585096907	341.399	FJSDQQVKGBJICE-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069023
CN(C)C(=O)CN1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1	ZINC22_585096910	341.399	FJSDQQVKGBJICE-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069024
FC(CN1CCC(CC1)CNC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_316664917	341.399	MVBCBMJXHWOFEZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069025
O=C(N1CCCn2c(C1)cc(n2)N)NCC1CCCCC(C1)(F)F	MCULE-9351556904,EMOLS-id_320054636	341.399	NQVONZOLELAYDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069026
CC(Oc1ccc(cc1)C(=O)c1ccc2n1CCCCC2C(=O)O)C	PC-id_20484086,SCHEMBL11200033	341.401	XJWYWDIQCSPQOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069027
CCOc1ccc(cc1)C(=O)c1ccc2n1CCCCC2C(=O)OC	PC-id_20484111,SCHEMBL11193922	341.401	NRTGSVLLCWFKCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069028
CCOc1ccc(cc1)C(=O)c1c(C)cc2n1CCCCC2C(=O)O	SCHEMBL11201420,PC-id_20483993	341.401	LQBHXQSGCAVJRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069029
CCOC(=O)c1cc2c(n1Cc1cccc(c1)OC)C(=O)CCCC2	PC-id_122705230,SCHEMBL18250051	341.401	KFCHYJSOBYKVRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069030
CCOC(=O)c1cc2c(n1Cc1ccccc1OC)C(=O)CCCC2	SCHEMBL18250033,PC-id_122705217	341.401	IWVOGQXJKQZOBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069031
CCOC(=O)c1cc2c(n1Cc1ccc(cc1)OC)C(=O)CCCC2	SCHEMBL18250050,PC-id_122705229	341.401	LNYNOVVSRUCPAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069032
O(C1c2[nH]c(c(c2CCCC1)C)C(=O)OCc1ccccc1)C(=O)C	PC-id_10958791	341.401	OPWMAUNECDPPLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069033
Cc1oc(cc1S(=O)(=O)N1CCCc2c(C1)ccs2)C(=O)O	EMOLS-id_318326479,MCULE-9252771408	341.403	AOKAFOJZTKJBFD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-069034
COC(=O)c1ccc(S(=O)(=O)N2CCCc3sccc3C2)o1	EMOLS-id_36359330,PC-id_53565519,ZINC22_69451366,MCULE-8255448240	341.403	FPMSLMHVATTYDW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-069035
Fc1c(c2oc(C[NH2+]Cc3n4CCCCCc4nn3)cc2)cccc1	GD-id_ZINC39979616,PC-id_51923570	341.403	OJFNOOVGRYCCNP-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-069036
C1CC1CNC(=O)c1nc2c(o1)CCN(CC2)Cc1cc(ccc1)O	PC-id_134809555	341.404	VFTUPZYEFWDTIN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069037
C1CN(Cc2cc(nn2C1)C(C1CC1)O)Cc1ccccc1C(=O)O	MCULE-5936045618,EMOLS-id_50548849,PC-id_90653593	341.404	QYHMOCCDCOHFPB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069038
c1(c(OC)cc2c(CCC2)c1)C(=O)N1CCCn2nc(CO)cc2C1	MCULE-9559932424,PC-id_91781665,EMOLS-id_55664667	341.404	AFVRIPUVSVYTJQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069039
c1(C(=O)Nc2ccc(cc2)CC(=O)OCC)c2CCCCCc2[nH]n1	EMOLS-id_335052750,MCULE-5591916779	341.404	XVTFFHZBNJCPGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069040
c1(C(=O)Nc2ccc(cc2)C(=O)OC(C)C)c2CCCCCc2[nH]n1	EMOLS-id_335068358,MCULE-5963161019	341.404	BFWQNDNUPMIFHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069041
c1(C(=O)Nc2ccc(cc2)C(=O)OCCC)c2CCCCCc2[nH]n1	MCULE-1575139086,EMOLS-id_323248319	341.404	GBAGUOIORAUQMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069042
c1(C(=O)Nc2cccc(c2)C(=O)OCCC)c2CCCCCc2[nH]n1	MCULE-5047100842,EMOLS-id_335031251	341.404	WCPCZBMBZSHBGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069043
c1(C(=O)Nc2cccc(c2)C(=O)OC(C)C)c2CCCCCc2[nH]n1	MCULE-7598363588,EMOLS-id_335080651	341.404	FWNCOKYTZINWKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069044
c1(C(=O)NCc2c3CCCCCc3[nH]n2)c(C)oc2CCCC(=O)c12	ZINC22_243893128,MCULE-9991675871,PC-id_91840647,EMOLS-id_55687587	341.404	AOBMOQODJLCHLJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-069045
c1(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)c2CCCCCc2[nH]n1	EMOLS-id_323253174,MCULE-5509288418	341.404	QGRVRJFEHMFWOK-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069046
c1(C(=O)OC)cc2n(CCCN(C(=O)c3ccc(cc3)C(C)C)C2)n1	PC-id_50982714,MCULE-7932131931,ZINC22_65526538,EMOLS-id_32433468	341.404	HJSRVADNLIXKSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069047
Cc1ccc(CN2CCCn3cnc(COCc4ccco4)c3C2)o1	PC-id_97381689,EMOLS-id_46148363,ZINC22_96059036	341.404	JTSMRYKLIGIDJO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-069048
CC1OCCN(C1)c1nccc(c1)C(=O)N1CCCc2c(C1)cco2	MCULE-1430326257,EMOLS-id_316866240	341.404	WJDQYUHBRBQKIE-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-069049
C=CCOc1ccc(C(=O)N2CCCc3c(cnn3C)C2)cc1OC	EMOLS-id_177269809,MCULE-1094090031,ZINC22_521394798	341.404	OSQWDIGQRNKOQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069050
C=CCOc1cc(OC)ccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319196739	341.404	DRNZMQBPUHOPHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069051
C=CCOCC1CN(Cc2ccc3OCOc3c2)Cc2ccnn2C1	EMOLS-id_44326943	341.404	OJKBNTSRWRGCJM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069052
CC(C)(O)C#Cc1ccc(C(=O)NCc2n[nH]c3c2CCCCC3)o1	MCULE-6518654069,EMOLS-id_36428872,ZINC22_67654521,PC-id_56704739	341.404	PQEYYQDBPXVDSK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-069053
C=CCOC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	PC-id_97463435,ZINC22_96189016	341.404	OJKBNTSRWRGCJM-INIZCTEOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069054
C=CCOC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_96189017,PC-id_97463436	341.404	OJKBNTSRWRGCJM-MRXNPFEDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069055
CC(COC)N1CC=CC(=O)c2c1n(nc2)Cc1ccc(cc1)OC	SCHEMBL15130282,PC-id_89705480	341.404	UBADSJIUIPHQRP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069056
C[C@H]1CN(c2cc(C(=O)N3CCCc4occc4C3)ccn2)CCO1	ZINC22_952963534	341.404	WJDQYUHBRBQKIE-AWEZNQCLSA-N	00000000100010101101100000000010000000000000000000000000	31-01-069057
C[C@@H]1CN(c2cc(C(=O)N3CCCc4occc4C3)ccn2)CCO1	ZINC22_952963538	341.404	WJDQYUHBRBQKIE-CQSZACIVSA-N	00000000100010101101100000000010000000000000000000000000	31-01-069058
CC(=O)c1ccc(OCC(=O)NCc2n[nH]c3c2CCCCC3)cc1	EMOLS-id_50544433,PC-id_90652388,ZINC22_221299869,MCULE-5938992326	341.404	ZJNIMUSATQFPAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069059
CCOC(=O)c1ccc(CNC(=O)c2c3c(CCCCC3)[nH]n2)cc1	MCULE-6651145825,EMOLS-id_335038150	341.404	USGMWAWUURESPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069060
CCOC(=O)c1cccc(NC(=O)Cn2cc3CCCCCc3n2)c1	EMOLS-id_16087211,CoCoCo_2192265,PC-id_20892436,MCULE-3666944359	341.404	LFIPETOHZRMYJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069061
CCOC(=O)c1ccc(NC(=O)Cn2cc3CCCCCc3n2)cc1	CoCoCo_2192275,MCULE-1359570751,EMOLS-id_24386869,PC-id_20892448,ChEMBL-DNDi_CHEMBLC881-1002	341.404	PUDZUICFPSGHAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069062
CC(=O)NCC(c1ccccc1)OC(=O)c1n[nH]c2c1CCCCC2	PC-id_91652114,MCULE-2163938825,EMOLS-id_50358523	341.404	ZBKFJPWKNUJOAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069063
CC(=O)NC[C@H](OC(=O)c1n[nH]c2c1CCCCC2)c1ccccc1	ZINC22_191178790,PC-id_99832933	341.404	ZBKFJPWKNUJOAP-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069064
CC(=O)NC[C@@H](OC(=O)c1n[nH]c2c1CCCCC2)c1ccccc1	ZINC22_191178809,PC-id_99832934	341.404	ZBKFJPWKNUJOAP-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069065
Cn1cccc1[C@@H]1CCCCN1C(=O)c1coc2c1C(=O)NCCC2	ZINC22_906880591	341.404	UKKOZLXFEMXOIT-HNNXBMFYSA-N	00000000110010000100100000000010000000000000000000000000	31-01-069066
Cn1cccc1[C@H]1CCCCN1C(=O)c1coc2c1C(=O)NCCC2	ZINC22_906880593	341.404	UKKOZLXFEMXOIT-OAHLLOKOSA-N	00000000110010000100100000000010000000000000000000000000	31-01-069067
CN(C(=O)c1coc2c1C(=O)NCC(C2)(C)C)[C@@H](c1cccnc1)C	EMOLS-id_319227034	341.404	KYTHXMMMBSPSCG-GFCCVEGCSA-N	00000000100000101100000000000010000000000000000000000000	31-01-069068
CN(C(=O)Cc1ccc2-c(cc1)cc(c2)N)OCC(=O)N1CCCC1	PC-id_141055253	341.404	LXUDXEPWVYWIMT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-069069
CNC(=O)CC1CN(Cc2ccc3OCOc3c2)Cc2cccn2C1	EMOLS-id_313813537	341.404	YWLWLZISNOYMEJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069070
CNC(=O)C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_585099251	341.404	YWLWLZISNOYMEJ-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069071
CNC(=O)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_585099252	341.404	YWLWLZISNOYMEJ-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069072
COc1ccc2c(c1)OCC2CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319874588	341.404	PNVJMUSJSCSACJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069073
COc1cc(cc2c1OC(C2)C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-1204795917,EMOLS-id_320029612	341.404	CIZLTELZJMDRGO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069074
COC1(COC1)c1ccc(cc1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319646598	341.404	CIPILJONFZBJHL-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-069075
COC1(COC1)c1ccc(cc1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318888202	341.404	JLSXLBCHMQWIHB-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-069076
COC[C@@H](N1CC=CC(=O)c2c1n(nc2)Cc1ccc(cc1)OC)C	SCHEMBL15130281	341.404	UBADSJIUIPHQRP-AWEZNQCLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069077
n1c(CNC(=O)CCc2ccc3c(OCO3)c2)c2c(CCCCC2)[nH]1	PC-id_90647499,MCULE-5156444324,EMOLS-id_50526369	341.404	REJLHTOILAIWTC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069078
N#Cc1[nH]c2c(c1)C(C)(C)CN(C=C2C(=O)O)C(=O)C1CCCCC1	PC-id_68963542,SCHEMBL4224405	341.404	KQQBVWYAAMJKPV-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-069079
o1nc(c2CCCCCc12)C(=O)N1CCN(CC1)c1ccc(O)cc1	PC-id_71455071,EMOLS-id_111823566	341.404	IGMPIYAXYNQLHP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-069080
OC1CC(C1)C(=O)N1Cc2cncn2CCC1COc1ccccc1	EMOLS-id_313815845	341.404	GWFHPNOKLJIVGA-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-069081
Oc1cccc(c1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111824380	341.404	LISPKIBJHPQLFK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-069082
O=C(C1CC(O)C1)N1Cc2cncn2CC[C@H]1COc1ccccc1	ZINC22_585097043	341.404	GWFHPNOKLJIVGA-CKDBGZEDSA-N	00001000100000110101000000000010000000000000000000000000	31-01-069083
O=C(C1CC(O)C1)N1Cc2cncn2CC[C@@H]1COc1ccccc1	ZINC22_585097044	341.404	GWFHPNOKLJIVGA-ISXOHVOVSA-N	00001000100000110101000000000010000000000000000000000000	31-01-069084
O=C(c1coc2c1C(=O)NCC(C2)(C)C)Nc1cccc(c1)N(C)C	MCULE-4584429873,EMOLS-id_320113564	341.404	XYWOGMAHEOHQJF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069085
O=C(c1noc2c1CCCCC2)N1CCN(CC1)c1ccccc1O	EMOLS-id_111823572	341.404	ALBULNUOUQJMQR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-069086
O=C(c1noc2c1CCCCC2)NC1CCOC(C1)c1ccncc1	EMOLS-id_101547866	341.404	PJLQJTUKQCLIKW-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-069087
O=C(c1noc2c1CCCCC2)N[C@@H]1CCO[C@H](C1)c1ccccn1	EMOLS-id_101555549	341.404	WZRUTJLAIAKRAJ-CXAGYDPISA-N	00000000100010101101100000000010000000000000000000000000	31-01-069088
O=C(c1noc2c1CCCCC2)OC(c1ncccn1)C1CCCC1	EMOLS-id_50354319,MCULE-9978681756,PC-id_102562117	341.404	STXKKTKSZVWICE-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-069089
O=C(C(c1ccc2c(c1)OCO2)(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101678318	341.404	KBXKDQAQGCGAFO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069090
O=C(CN1CCCc2c(C1)cco2)NC(=O)Nc1ccc(c(c1)C)C	EMOLS-id_99343138	341.404	YYVZUROMDRIYFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069091
O[C@@H](c1nn2c(c1)CN(CCC2)Cc1ccccc1C(=O)O)C1CC1	PC-id_100067807	341.404	QYHMOCCDCOHFPB-GOSISDBHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069092
O[C@H](c1nn2c(c1)CN(CCC2)Cc1ccccc1C(=O)O)C1CC1	PC-id_100067808	341.404	QYHMOCCDCOHFPB-SFHVURJKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069093
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)c1ccc2c(c1)OC(O2)(C)C	EMOLS-id_319281646	341.404	ZHRNUROXGUUSJL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069094
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)c1ccc(cc1)C1(O)COC1	EMOLS-id_320056146,MCULE-4634026319	341.404	GNWZLZCARWPYKD-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-069095
O=C(N1CCCc2c(C1)cco2)NC1CCOC(C1)c1ccncc1	EMOLS-id_101585091	341.404	KLQJDDFOSMYETI-UHFFFAOYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-069096
O=C(N1CCCc2c(C1)cco2)N[C@@H]1CCO[C@H](C1)c1ccccn1	EMOLS-id_101592618	341.404	KDTAJDUDSIAICQ-CRAIPNDOSA-N	00000000100010101100100000000010000000000000000000000000	31-01-069097
O=C(N(C)C)Cc1ccccc1NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_318568746	341.404	BNPUUIIFIRGNOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069098
O=C(O[C@@H](c1ncccn1)C1CCCC1)c1noc2c1CCCCC2	PC-id_99708197,ZINC22_159029494	341.404	STXKKTKSZVWICE-QGZVFWFLSA-N	00000010100000100101000000000010000000000000000000000000	31-01-069099
O=C(O[C@H](c1ncccn1)C1CCCC1)c1noc2c1CCCCC2	PC-id_99708198,ZINC22_159029639	341.404	STXKKTKSZVWICE-KRWDZBQOSA-N	00000010100000100101000000000010000000000000000000000000	31-01-069100
s1c2CCCCCc2cc1C(=O)NN=Cc1ccc(cc1)C(=O)[O-]	PC-id_78620839	341.404	FZSSEUGPCRWJHG-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-069101
Cc1ncc(s1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_112064128	341.406	BPLVILXGDQFKOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069102
N#CC(=C/C=C(/c1ccc2-c1ccccc2)C=CN1CCOCC1)C#N	PC-id_102344628	341.406	BCKYOKFAMRJNTD-JQLBKNLUSA-N	00000010100010000111000000000010000000000000000000000000	31-01-069103
c12C(CCCCn1nnn2)C(=O)NCc1ccc2c(CC(O2)(C)C)c1	MCULE-9602222961,PC-id_118791737,EMOLS-id_68933516	341.408	HFLUPUIKOZCXPV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069104
c12CN(CCCn1nc(CN(C)Cc1ccno1)c2)Cc1ccco1	MCULE-5835526635,ZINC22_72165511,PC-id_56911096,EMOLS-id_43162812	341.408	IKVYCVBKHNRSLS-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-069105
c12nnnn1CCCCC2C(=O)NC1(CCOCC1)c1ccccc1	PC-id_122557320,EMOLS-id_177370684,MCULE-7337080517	341.408	OOHMBVCZEFDLGG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-069106
c1(C(O)C2CCC2)cc2n(CCCN(C(=O)c3cnc(cn3)C)C2)n1	PC-id_91763312,EMOLS-id_55612091,MCULE-5802031785	341.408	GJHCCYUPULVCOC-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-069107
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3ccc(C)o3)C2)n1	PC-id_90651255,MCULE-9372200945,EMOLS-id_50540163	341.408	ZVOIWUANLPRLAA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-069108
c1(C(=O)N2C[C@H]([C@H](Cc3ccccn3)C2)O)nnc2CCCCCn12	EMOLS-id_317351393,PC-id_135087303,ZINC22_1704343498,MCULE-8808849615	341.408	CXLZFQSXTGNMKG-UKRRQHHQSA-N	00000010100000101101000000000010000000000000000000000000	31-01-069109
c1(C(=O)N2C[C@H]([C@H](Cc3ccncc3)C2)O)nnc2CCCCCn12	MCULE-7572812912,EMOLS-id_317385022,ZINC22_1704297323,PC-id_135104521	341.408	MKBPVNGVTVWHNQ-HUUCEWRRSA-N	00000010100000101101000000000010000000000000000000000000	31-01-069110
c1(C(=O)NCCC(=O)Nc2cccc(C)c2)nnc2CCCCCn12	ZINC22_670449495,EMOLS-id_222766005,MCULE-1723023722	341.408	HENBRVVJOHXDKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069111
c1(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)nnc2CCCCCn12	MCULE-2498037831,ZINC22_1704354030,EMOLS-id_317379838,PC-id_135110993	341.408	RJWPUWPXGCJIBY-HUUCEWRRSA-N	00000010100000101101000000000010000000000000000000000000	31-01-069112
CC1(C)Cc2cc(CNC(=O)[C@H]3CCCCn4nnnc34)ccc2O1	ZINC22_299793572	341.408	HFLUPUIKOZCXPV-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069113
CC1(C)Cc2cc(CNC(=O)[C@@H]3CCCCn4nnnc34)ccc2O1	ZINC22_299793582	341.408	HFLUPUIKOZCXPV-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069114
Cc1ccc(cn1)C(=O)N1CCCn2nnc(COCC3CC3)c2C1	EMOLS-id_44369480,ZINC22_96258965,PC-id_97519055	341.408	SQXBSOASGCVUHC-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069115
Cc1ccc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)o1	PC-id_100065806,ZINC22_221186216	341.408	ZVOIWUANLPRLAA-SFHVURJKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-069116
Cc1ccc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)o1	PC-id_100065807,ZINC22_221186272	341.408	ZVOIWUANLPRLAA-GOSISDBHSA-N	00000000101000000101000000000010000000000000000000000000	31-01-069117
Cc1ccnc(OCC2CN(Cc3cncn3C2)C(=O)CC2CC2)n1	EMOLS-id_49235347	341.408	BPOMMSFXODMTCW-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069118
Cc1ccnc(OC[C@H]2CN(C(=O)CC3CC3)Cc3cncn3C2)n1	PC-id_97483603,ZINC22_96216540	341.408	BPOMMSFXODMTCW-HNNXBMFYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069119
Cc1ccnc(OC[C@@H]2CN(C(=O)CC3CC3)Cc3cncn3C2)n1	PC-id_97483605,ZINC22_96216542	341.408	BPOMMSFXODMTCW-OAHLLOKOSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069120
Cc1c(C(=O)NCc2nnc3n2CCCCC3)[nH]c2c1C(=O)CCC2	ZINC22_53282332,PC-id_51074151,EMOLS-id_31859769,MCULE-9127021939	341.408	BRBHZFOGHGYGBG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-069121
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)NC(=O)N(C)C	MCULE-9199276796,EMOLS-id_320235397	341.408	GMDURNZSHARCMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069122
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccnc1N1CCOCC1	EMOLS-id_319290434	341.408	JIKRZTKGIOCHRI-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-069123
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc(c1)NC(=O)C(C)C	EMOLS-id_319671150	341.408	VTIDYEADEBPRHM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069124
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nccc(c1)N1CCOCC1	EMOLS-id_319350847	341.408	RNHGCDOYYDSMMI-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-069125
Cc1cncc(c1)C(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97405186	341.408	VXACAMCHCIQASC-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069126
Cc1cnc(cn1)C(=O)N1CCCn2c(C1)cc(n2)[C@H](C1CCC1)O	PC-id_100017755	341.408	GJHCCYUPULVCOC-KRWDZBQOSA-N	00001000100000100101000000000010000000000000000000000000	31-01-069127
Cc1cnc(cn1)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](C1CCC1)O	PC-id_100017758	341.408	GJHCCYUPULVCOC-QGZVFWFLSA-N	00001000100000100101000000000010000000000000000000000000	31-01-069128
Cc1cnc(cn1)C(=O)N1CC(COCC2CC2)Cn2ccnc2C1	EMOLS-id_44325933	341.408	XZDSPPDMCYGSIO-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069129
Cc1cnc(cn1)C(=O)N1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49230739	341.408	ZPQLKERRTXHYIO-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069130
Cc1cnc(cn1)C(=O)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_44327041	341.408	JRMQTVNLUZRJRA-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069131
Cc1cnc(C(=O)N2Cc3ccnn3C[C@@H](COCC3CC3)C2)cn1	ZINC22_253601113	341.408	JRMQTVNLUZRJRA-HNNXBMFYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069132
Cc1cnc(C(=O)N2Cc3ccnn3C[C@H](COCC3CC3)C2)cn1	ZINC22_253601114	341.408	JRMQTVNLUZRJRA-OAHLLOKOSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069133
Cc1cnc(C(=O)N2Cc3cncn3C[C@H](COCC3CC3)C2)cn1	PC-id_97475957,ZINC22_96207830	341.408	ZPQLKERRTXHYIO-OAHLLOKOSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069134
Cc1cnc(C(=O)N2Cc3cncn3C[C@@H](COCC3CC3)C2)cn1	PC-id_97475958,ZINC22_96207831	341.408	ZPQLKERRTXHYIO-HNNXBMFYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069135
Cc1cnc(C(=O)N2Cc3nccn3C[C@@H](COCC3CC3)C2)cn1	PC-id_97462350,ZINC22_96187901	341.408	XZDSPPDMCYGSIO-OAHLLOKOSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069136
Cc1cnc(C(=O)N2Cc3nccn3C[C@H](COCC3CC3)C2)cn1	ZINC22_96187900,PC-id_97462349	341.408	XZDSPPDMCYGSIO-HNNXBMFYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069137
Cc1nccc(N2CCN(C(=O)c3noc4c3CCCCC4)CC2)n1	ZINC22_157740725,MCULE-1314401979,EMOLS-id_111434548	341.408	HERPGLOOILKWKC-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-069138
CC(=C)COc1cccc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320332924,MCULE-9118940446	341.408	PGBUZBRGDMTRTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069139
C=CCOCC1CN(Cc2nccn2C1)C(=O)NCc1cccnc1	EMOLS-id_44325885	341.408	BFANCKOMIBJGPJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069140
C=CCOC[C@@H]1CN(C(=O)NCc2cccnc2)Cc2nccn2C1	PC-id_97462304,ZINC22_96187853	341.408	BFANCKOMIBJGPJ-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069141
C=CCOC[C@H]1CN(C(=O)NCc2cccnc2)Cc2nccn2C1	ZINC22_96187852,PC-id_97462303	341.408	BFANCKOMIBJGPJ-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069142
CC(NC(=O)c1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2)C	MCULE-4888892334,EMOLS-id_316479883	341.408	PVAJDWWXOBDOQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069143
CC(=O)Nc1ccc(cc1)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319401649	341.408	SOHAVIYWCNPCBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069144
CC(=O)Nc1cc(ccc1C)C(=O)NCc1nnc2n1CCCCC2	PC-id_86991126	341.408	RNNZSJUUIBFKAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069145
CC(=O)Nc1ccc(C(=O)N(C)Cc2nnc3n2CCCCC3)cc1	PC-id_16299999,CoCoCo_4524790,EMOLS-id_13409186,MCULE-5448236864,ZINC22_8754566	341.408	RCKVRKTYJOCXBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069146
Cn1cc(CN2CCCn3cnc(COCc4ccco4)c3C2)cn1	ZINC22_96059034,EMOLS-id_46148359,PC-id_97381687	341.408	UOBLRVBBLZREPD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-069147
CN=C(c1c(C)n2n(c1=O)CCOCC2)N=C(c1ccc(cc1)C)N	PC-id_144525652	341.408	BZMUWYPRPZMRMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069148
CN(C)C(=O)c1cccc(C(=O)NCc2nnc3n2CCCCC3)c1	PC-id_98407311,ZINC22_103066546,MCULE-9908298946,EMOLS-id_53755465	341.408	CXLCPVNYSWSDGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069149
CN(C(=O)Nc1ccc2c(c1)CCO2)Cc1nnc2n1CCCCC2	MCULE-8635229408,EMOLS-id_320071524	341.408	HPRZFWGFHWMASI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069150
CN(C(=O)Nc1ccc2c(c1)COC2)Cc1nnc2n1CCCCC2	EMOLS-id_319186918	341.408	QOHSPYLYTNOOTH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069151
COC1Cc2c(C1)cc(cc2)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319523190	341.408	UNUXUXYGUIDPOM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069152
COc1ccc2c(c1NC(=O)N1CCCn3c(C1)cc(n3)N)CCC2	EMOLS-id_318931747	341.408	BOUYGSNIRVDCHZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069153
COc1ccc2n(C)cc(CN3CCc4nn(C)c(=O)n4CC3)c2c1	MCULE-2074638449,PC-id_91922415,EMOLS-id_50585915	341.408	QJBMQHNGDPDNHB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-069154
COc1cccc2c1CCC2NC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-5849655687,EMOLS-id_320099082	341.408	UOOAYCMEPRGNHP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069155
COc1nc2c(cc1C(=O)NCc1nnc3n1CCCCC3)CCC2	ZINC22_91651379,EMOLS-id_46062303,PC-id_86285627,MCULE-2865669642	341.408	MZVDPZKHMBHGEC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069156
COCCn1c(=O)n2CCN(CCc2n1)Cc1cc2c(cc1)[nH]cc2	MCULE-1945814715,PC-id_91922430,EMOLS-id_50590007	341.408	TVTSKSAIPQTMKK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-069157
COCCn1nc2CCN(Cc3ccc4cc[nH]c4c3)CCn2c1=O	PC-id_91910665,EMOLS-id_50590009,MCULE-4986576671	341.408	FNSJJTUBWQBHPT-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-069158
n12CCC(CCc1nn(CC1CC1)c2=O)NC(=O)Nc1ccccc1	EMOLS-id_97099925,MCULE-4955699705	341.408	UVPNZCYAYLHBRU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069159
n12CCC(CCc1nn(Cc1ccncc1)c2=O)C(=O)N1CCCC1	MCULE-5198176038,EMOLS-id_207877122	341.408	YPRLBBUBTZETEB-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-069160
n12CCN(CCc1nnc2Cc1cccnc1)C(=O)C1CCCCO1	PC-id_77081326,EMOLS-id_49871238,MCULE-9705070200	341.408	JVMDBKWLXHIFQO-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069161
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)CCC(=O)N	EMOLS-id_36435008,ZINC22_67739748,PC-id_56707643,MCULE-7017830723	341.408	PSANOKDSWHTYKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069162
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)C1(CO)CNC1	EMOLS-id_337782409,ZINC22_2356166693,MCULE-8403225091	341.408	JNKBNGDBXSELFP-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-069163
n1n2CCCN(CCn3c4ccccc4nc3)Cc2cc1C(CO)O	PC-id_91786001,EMOLS-id_55677113,MCULE-7414079141	341.408	VOQHYBZXXDECBI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069164
n1n2CCCNC(=O)[C@@H](NC(=O)CCCc(c2)n1)Cc1ccccc1	MCULE-8743275914,EMOLS-id_289993287,ZINC22_952864855	341.408	REESHFZHBVYJMV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069165
Nc1nccc(n1)C1CCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_98636904	341.408	XMYSEJWHZSUXFT-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-069166
N#Cc1c(NC(=O)C(N2CC(C)Cc3c(C2)cn[nH]3)C)oc(c1C)C	EMOLS-id_318981953	341.408	IBSBOXRGZZYNBW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-069167
O1C(Cc2c1cccc2)CNC(=O)NCc1n2CCCCCc2nn1	MCULE-1875344325,PC-id_53500567,EMOLS-id_35702146	341.408	DAADXYNNQFVFFG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069168
OC1c2ncn(CCCc3c(ccc(c3)C(=O)NC)C)c2NC=NC1	PC-id_10569229	341.408	ZOUNWQDBBUWFFT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069169
Oc1cccc(c1)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319868444	341.408	FUFFFORLESUJOF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-069170
O=c1cc(cc([nH]1)C1CC1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_100100076	341.408	XJBUHWLMOXHBBA-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-069171
O=C1CCCN1Cc1ncn2c1CN(CCC2)C(=O)c1cccn1C	PC-id_97405465	341.408	IYFXUBCIXAERGT-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-069172
O=c1cc(CNC(=O)c2cnc3n2CCCCC3)nc([nH]1)C1CCC1	EMOLS-id_318364546	341.408	NOHGPTRHOONYBO-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-069173
O(C1CN(C1)C(=O)CCc1nn2c(CNCCC2)c1)c1cccnc1	PC-id_72076192	341.408	WWALCNHCPOFQKH-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-069174
OC1C(NC(=O)NCc2n3CCCCCc3nn2)c2c(C1)cccc2	PC-id_75613635	341.408	IIWITQFIEMOHSJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069175
O=C(c1cccc(c1)C(=O)N)NCCCc1nnc2n1CCCCC2	EMOLS-id_71707937,MCULE-9242688899,PC-id_119110794	341.408	XZUFDFDLKYFXSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069176
O=C(c1ccc(cc1)C(=O)N)NCCCc1nnc2n1CCCCC2	PC-id_119129602	341.408	RVHZELOAPYFYBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069177
O=C(c1ccccn1)N1Cc2nccn2C[C@H](CN2CCOCC2)C1	ZINC22_96188512,PC-id_97462948	341.408	HSIGXMITOXBAFC-HNNXBMFYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069178
O=C(c1ccccn1)N1Cc2nccn2C[C@@H](CN2CCOCC2)C1	ZINC22_96188513,PC-id_97462949	341.408	HSIGXMITOXBAFC-OAHLLOKOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069179
O=C(C1CCn2c(CC1)nnc2)N1CCN(CC1)c1ccccc1O	MCULE-7474987361,EMOLS-id_320090667	341.408	SFSPODDDDGAJTE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-069180
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(nc1)OC1CCCC1	EMOLS-id_319067326	341.408	OHVBCARDJWOLRZ-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-069181
O=C(c1ccncc1)N1CCc2ncc(CN3CCOCC3)n2CC1	ZINC22_96196909,EMOLS-id_44328749,PC-id_97467053	341.408	NQCUSOJGRMVXNG-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069182
O=C(c1ccncn1)N1Cc2cncn2C[C@H](COCC2CCC2)C1	ZINC22_96207821,PC-id_97475948	341.408	DGHHEFOMOBQCAV-OAHLLOKOSA-N	00001000100000100101000000000010000000000000000000000000	31-01-069183
O=C(c1ccncn1)N1Cc2cncn2C[C@@H](COCC2CCC2)C1	ZINC22_96207822,PC-id_97475949	341.408	DGHHEFOMOBQCAV-HNNXBMFYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-069184
O=C(C1CCOC1)N1CCc2ncc(CNc3ccccn3)n2CC1	EMOLS-id_44329175,PC-id_118741202	341.408	BPISCZMWZPMDAS-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-069185
O=C(c1n[nH]c2c1CCC2)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_585099013	341.408	AXYPDANTVBCYHO-AWEZNQCLSA-N	00100010100000000101000010000010000000000000000000000000	31-01-069186
O=C(c1n[nH]c2c1CCC2)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_585099014	341.408	AXYPDANTVBCYHO-CQSZACIVSA-N	00100010100000000101000010000010000000000000000000000000	31-01-069187
O=C(CCNC(=O)c1n[nH]c2c1CCCCC2)NCc1cccnc1	ZINC22_190219681,EMOLS-id_53795015,MCULE-8004892075,PC-id_99830163	341.408	OJUWNQIIZXKYGL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069188
O=C([C@@H]1CCCCO1)N1CCc2nnc(Cc3cccnc3)n2CC1	PC-id_99928836,ZINC22_215175952	341.408	JVMDBKWLXHIFQO-HNNXBMFYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069189
O=C([C@H]1CCCCO1)N1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_215176000,PC-id_99928837	341.408	JVMDBKWLXHIFQO-OAHLLOKOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069190
O=C([C@@H]1CCOC1)N1CCc2ncc(CNc3ccccn3)n2CC1	PC-id_97467269,ZINC22_96197127	341.408	BPISCZMWZPMDAS-CQSZACIVSA-N	00000010100000101101000000000010000000000000000000000000	31-01-069191
O=C([C@H]1CCOC1)N1CCc2ncc(CNc3ccccn3)n2CC1	ZINC22_96197128,PC-id_97467270	341.408	BPISCZMWZPMDAS-AWEZNQCLSA-N	00000010100000101101000000000010000000000000000000000000	31-01-069192
O=C([C@@H]1COCC[C@@H]1c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102175385	341.408	VVMITWPNSQSQIF-ANGDWKNPSA-N	00000000100010110101100000000010000000000000000000000000	31-01-069193
OC[C@H](c1nn2c(c1)CN(CCC2)CCn1cnc2c1cccc2)O	PC-id_99982999	341.408	VOQHYBZXXDECBI-GOSISDBHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069194
OC[C@@H](c1nn2c(c1)CN(CCC2)CCn1cnc2c1cccc2)O	PC-id_99983004	341.408	VOQHYBZXXDECBI-SFHVURJKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069195
O[C@H]1[C@@H](NC(=O)NCc2n3CCCCCc3nn2)c2c(C1)cccc2	PC-id_60222006	341.408	IIWITQFIEMOHSJ-PBHICJAKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069196
O=C(N1CCCC1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	PC-id_97367686,ZINC22_96044173	341.408	NXWPLVJOKOHZOU-OAHLLOKOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-069197
O=C(N1CCCC1)N1Cc2nccn2C[C@H](COc2cccnc2)C1	ZINC22_96044174,PC-id_97367687	341.408	NXWPLVJOKOHZOU-HNNXBMFYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-069198
O=C(N1CCCC1)N1CC(COc2cccnc2)Cn2ccnc2C1	EMOLS-id_46128723,PC-id_118743325,CHEMBL3551552	341.408	NXWPLVJOKOHZOU-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-069199
O=C(N1CCCn2c(C1)cc(n2)N)Nc1cccc2c1OC(C2)(C)C	EMOLS-id_319718800	341.408	NJKXXMSTXKSFNI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069200
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccc(cc1)OCC1CC1	EMOLS-id_319135239	341.408	UIYWCQNIYXYEDC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069201
O=C(N1CCCn2c(C1)cc(n2)N)NCCc1ccc2c(c1)CCO2	EMOLS-id_318921404	341.408	JWCVCNWFAQXQDD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069202
O=C(N1CC(CN2CCOCC2)Cn2ccnc2C1)c1ccccn1	PC-id_118746950,EMOLS-id_44326353	341.408	HSIGXMITOXBAFC-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069203
O=C(N1CCCn2nc(cc2C1)CNC(=O)c1cc(ncc1)CC)C	PC-id_70775649	341.408	VCQIANCLZSHKSB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069204
O=C(N1CC(COCC2CCC2)Cn2cncc2C1)c1ccncn1	EMOLS-id_49230723	341.408	DGHHEFOMOBQCAV-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-069205
O=C(NC1(c2ccccc2)CCOCC1)[C@H]1CCCCn2nnnc12	ZINC22_534581255	341.408	OOHMBVCZEFDLGG-HNNXBMFYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-069206
O=C(NC1(c2ccccc2)CCOCC1)[C@@H]1CCCCn2nnnc12	ZINC22_534581261	341.408	OOHMBVCZEFDLGG-OAHLLOKOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-069207
O=C(NC1CC1)N1Cc2nccn2C[C@@H](COCc2ccccn2)C1	ZINC22_96188169,PC-id_97462612	341.408	VVZRSPOKSHGNQO-CQSZACIVSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069208
O=C(NC1CC1)N1Cc2nccn2C[C@H](COCc2ccccn2)C1	ZINC22_96188172,PC-id_97462615	341.408	VVZRSPOKSHGNQO-AWEZNQCLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069209
O=C(NC1CC1)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1	PC-id_97462543,ZINC22_96188098	341.408	ZQNUIKLIDGWEQC-OAHLLOKOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069210
O=C(NC1CC1)N1Cc2nccn2C[C@H](COCc2cccnc2)C1	PC-id_97462546,ZINC22_96188101	341.408	ZQNUIKLIDGWEQC-HNNXBMFYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069211
O=C(NC1CC1)N1CC(COCc2ccccn2)Cn2ccnc2C1	EMOLS-id_44326059	341.408	VVZRSPOKSHGNQO-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069212
O=C(NC1CC1)N1CC(COCc2cccnc2)Cn2ccnc2C1	EMOLS-id_44326033	341.408	ZQNUIKLIDGWEQC-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069213
O=C(NC1CCC1)C1CCc2nn(Cc3ccncc3)c(=O)n2CC1	EMOLS-id_207877098,MCULE-6263236704	341.408	MFVGVPIGDJBBEJ-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-069214
O=C(NC1CCCC1)c1ncn2c1CN(C(=O)c1cc[nH]c1)CCC2	EMOLS-id_313787453,ZINC22_1565554280	341.408	MUMNXFCORXLFFJ-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-069215
O=C(Nc1cccc2c1CCO2)NCCc1nnc2n1CCCCC2	EMOLS-id_100902255	341.408	QVRPVVJBOAYDPX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069216
O=C(Nc1cccc(c1)C)NCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-9024873982,EMOLS-id_320157002	341.408	ZEHAYFMOAOHWCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069217
O=C(Nc1ncccc1C)CCNC(=O)c1cnc2n1CCCCC2	EMOLS-id_316557415	341.408	OUOCURTZPPCAQW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069218
Cc1nc2c(s1)N(CCCC2)C(=O)CCc1nc2c(o1)cccc2	MCULE-7410305470,EMOLS-id_320086209	341.427	ACYUYJJQXZZZAJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069301
O=C(NCC1CC1)C1CCc2nn(Cc3ccncc3)c(=O)n2CC1	MCULE-1079984681,EMOLS-id_207877092	341.408	ZLQSOJBPFZHUSO-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069219
O=C(NCc1n2CCCCCc2nn1)CCNC(=O)c1ccccc1	PC-id_51266273	341.408	JWYGZRNOWNRLKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069220
O=C(NCc1nnc2n1CCCCC2)NC[C@H]1Cc2ccccc2O1	ZINC22_65400208,PC-id_95126807	341.408	DAADXYNNQFVFFG-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069221
O=C(NCc1nnc2n1CCCCC2)NC[C@@H]1Cc2ccccc2O1	ZINC22_65400209,PC-id_95126808	341.408	DAADXYNNQFVFFG-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069222
O=C(NCc1nnc2n1CCCCC2)N[C@@H]1c2ccccc2C[C@@H]1O	PC-id_51092791,EMOLS-id_32085856,MCULE-3873178051,ZINC22_48333664	341.408	IIWITQFIEMOHSJ-WMLDXEAASA-N	00000010100000100101000000001010000000000000000000000000	31-01-069223
O=C(NCCc1n2CCCCCc2nn1)Nc1cc(ccc1)C(=O)C	PC-id_52187714	341.408	ZITQRMDYDYAJOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069224
O=C(N(C)C)Nc1cccc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101672981	341.408	OBDSYRBWZQMGMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069225
O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1cn2CCNCCc2n1	ZINC22_1940197808,EMOLS-id_336477646	341.408	SQWLBLKUGOFNMF-GDBMZVCRSA-N	00000010100000101101000000000010000000000000000000000000	31-01-069226
Cc1c(c(n[nH]1)C)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625656	341.409	OBESPDIWGLJFAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069227
Cc1nc(cn1C)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625689	341.409	BHMIIEJTLDBSKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069228
c12CN(CCCn1nc(CNc1ccnc(N)n1)c2)C(=O)C1CCC1	EMOLS-id_44427063,ZINC22_82096219,PC-id_70714900,MCULE-7525344243	341.411	JGSCMCYOVQJDLT-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-069229
c12n(C)ncc1c(=O)[nH]c(CN(C)Cc1c3CCCCCc3[nH]n1)n2	PC-id_136663686,ZINC22_253537208,EMOLS-id_55618218,MCULE-5697226586	341.411	BTCGHCPVNIZKFE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069230
c12nnnn1CCCCC2C(=O)N1CCC(CC1)c1c(C)cncn1	PC-id_118763721,MCULE-6139602138,EMOLS-id_82703147	341.411	ZMSPCNJCYJLVOR-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-069231
c1(C(C)NC(=O)N2CCCn3nc(C#N)cc3C2)c(C)n(nc1C)C	MCULE-3362678672,PC-id_121494764,EMOLS-id_177361400	341.411	GCJZZOKMBXBLDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069232
c1(cn2c(CCNCC2)n1)C(=O)N1CCCN(CC1)c1ncccn1	MCULE-4024243424,ZINC22_1857722962,EMOLS-id_330470417	341.411	RNBPEEMHOKSNKT-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-069233
c1(C(=O)NC2CCN(CC2)c2cccnn2)cn2c(CCNCC2)n1	ZINC22_1857735973,EMOLS-id_330470962,MCULE-8687742505	341.411	XACFRZRGGDXRBU-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-069234
c1(oc(nn1)CNCc1nnc2CCCCCn12)c1ccc(C)n1C	ZINC22_65393670,EMOLS-id_32387054,PC-id_50958103,MCULE-3926621786	341.411	WIUKOQLIZWQZAB-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-069235
Cc1ccc(NCc2cnc3CCN(CCn23)C(=O)NC2CC2)nn1	ZINC22_96197138,PC-id_97467280,EMOLS-id_44329197	341.411	ZGRXNCNTMZGNFR-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069236
Cc1ccnc(C2CCN(C(=O)[C@H]3CCc4nnnn4CC3)CC2)n1	ZINC22_845940888	341.411	ZEZZEKAQPBTQMP-AWEZNQCLSA-N	00000000100010100101100000000010000000000000000000000000	31-01-069237
Cc1ccnc(C2CCN(C(=O)[C@@H]3CCc4nnnn4CC3)CC2)n1	ZINC22_845940890	341.411	ZEZZEKAQPBTQMP-CQSZACIVSA-N	00000000100010100101100000000010000000000000000000000000	31-01-069238
Cc1ccnc(n1)C1CCN(CC1)C(=O)C1CCn2c(CC1)nnn2	MCULE-3292707734,PC-id_136549926,EMOLS-id_316885680	341.411	ZEZZEKAQPBTQMP-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-069239
Cc1cncnc1C1CCN(C(=O)[C@H]2CCCCn3nnnc23)CC1	ZINC22_426388266	341.411	ZMSPCNJCYJLVOR-AWEZNQCLSA-N	00000000100010100101100000000010000000000000000000000000	31-01-069240
Cc1cncnc1C1CCN(C(=O)[C@@H]2CCCCn3nnnc23)CC1	ZINC22_426388270	341.411	ZMSPCNJCYJLVOR-CQSZACIVSA-N	00000000100010100101100000000010000000000000000000000000	31-01-069241
Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_426368206	341.411	GCJZZOKMBXBLDG-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069242
Cc1nn(C)c(C)c1[C@H](C)NC(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_426368207	341.411	GCJZZOKMBXBLDG-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-069243
Cn1c2-c(c(=O)nc(n2)CN(C)Cc2n[nH]c3c2CCCCC3)c[nH]1	PC-id_91830691	341.411	SVXHPZDBELCEHM-UHFFFAOYSA-N	00000010100010100101000001000010000000000000000000000000	31-01-069244
CN(C(=O)Nc1cnc(nc1)C1CC1)Cc1nnc2n1CCCCC2	EMOLS-id_318864698	341.411	ULQPXAMIXSCXNR-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-069245
CN(C(=O)Nc1nccc(n1)C1CC1)Cc1nnc2n1CCCCC2	EMOLS-id_319055302	341.411	ARKBSGHXHKZXHB-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-069246
N#CCCn1ncc(c1C)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_278262378	341.411	GXZDTRHYHSPGJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069247
O=C(c1cccnc1N1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102164542	341.411	LDLVHVXSUJNWAA-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-069248
O=C(c1cnccn1)N1CCc2n(CC1)c(nn2)CN1CCCCC1	PC-id_97405802	341.411	PSZQPRRGLLAQJP-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-069249
O=C(c1cnccn1)N1CCN(Cc2nnc3n2CCCCC3)CC1	CoCoCo_4526295,PC-id_17560440,MCULE-2233004183,ZINC22_14085765,EMOLS-id_13444748	341.411	TXPGHIWCJHJPPC-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-069250
O=C(c1ncccc1NCC1CCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_319792256	341.411	RETOMGJEVVQGKE-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-069251
O=C(N1Cc2c(nc(nc2)CC(C)C)C1)C1CCCCn2nnnc12	PC-id_74236759	341.411	OLQAPROAXHDAMP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069252
O=C(N1CC(C1c1cccnc1)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102161260	341.411	ZSBIJTLUFUCZIL-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-069253
O=C(N1CC(C1c1ccncc1)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102161290	341.411	FJGMHCZOUBZFPY-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-069254
O=C(N1CCC(CC1)c1ccncc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102168913	341.411	MBIYUNWETDLECD-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-069255
O=C(N1CCn2c(nnc2CCc2ccccc2)CC1)C1NNNC1	PC-id_76423220	341.411	AKIWLDKTWUPJQI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-069256
O=C(Nc1cccc(c1)N1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102014305	341.411	LXJZCMGXRRRPTG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-069257
O=C(Nc1ccccc1N1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102029513	341.411	LRXHKUJDSKJBQZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-069258
O=C(Nc1ccc(nn1)C1CC1)NCCc1nnc2n1CCCCC2	EMOLS-id_101188438	341.411	AQXQURBTHIODBT-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-069259
O=C(NCCc1nnc2n1CCCCC2)Nc1cnc(C2CC2)nc1	MCULE-1014558509,ZINC22_89764583,EMOLS-id_45757690,PC-id_71879363	341.411	QRIYQDPHQWTHFW-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-069260
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCC1)Cc1cccc(c1)F	EMOLS-id_319841506,MCULE-6014978574	341.422	HTRWBVMPQSVXMQ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-069261
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCCC1)c1ccc(cc1)F	EMOLS-id_319190403	341.422	PIOVGGSZFDBBMR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-069262
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCCC1)c1ccccc1F	EMOLS-id_319216329	341.422	SUVGKMBMLOPATJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-069263
Fc1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_318247046	341.422	FPYRZGWQJXYYBH-DLBZAZTESA-N	00100000100000110101100000000010000000000000000000000000	31-01-069264
COC(=O)C1CCC(CC1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_279062384	341.423	XKIYAPQQXVLSDY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-069265
c1(NC(=O)C=Cc2ccccc2)sc2c(CCCCC2)c1C(=O)O	MCULE-6269578794	341.424	XZSBVASGPRAQIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069266
CCOC(=O)c1c(NC(=O)C)sc2c1C=CC=CC=CC=CC=C2	PC-id_87825867,SCHEMBL5365688,SCHEMBL5365683	341.424	KGQBWSFOKROWNC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-069267
CCOC(=O)c1c(NC(=O)C)sc2c1/C=CC=C/C=CC=C/C=C	SCHEMBL5365670	341.424	KGQBWSFOKROWNC-NSABVDPRSA-N	00000000100000000110000000000010000000000000000000000000	31-01-069268
Fc1cncc(c1)S(=O)(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110210540	341.424	QKPDEUBVCKOTEE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069269
OC(=O)C1CN(c2c1cccc2)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_51988675,PC-id_120691666,MCULE-7680270788	341.424	WTIDAKHYPZXKSG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-069270
OC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2CCCCCc12	PC-id_28860501,EMOLS-id_179129742	341.424	XZSBVASGPRAQIK-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069271
c12CN(CCCn1nc(C(C)O)c2)C(=O)C1CCS(=O)(=O)CC1	EMOLS-id_55610197,PC-id_91762633,MCULE-7803203457	341.426	XWSGYJJFMSHKSW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069272
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CC1O[C@@H]2[C@H](C1)COC2	EMOLS-id_318915333	341.426	ZLBBJWHZVNIUBJ-MTWFFTENSA-N	00000010100000000101000000000110000000000000000000000000	31-01-069273
CCNS(=O)(=O)C1CCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111881989	341.426	LSNJVVJKEDKAMX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069274
CCS(=O)(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111269250	341.426	FQHOTHPWDKQKBP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069275
Cn1ncc2c1CCCN(C2)S(=O)(=O)CC1O[C@@H]2[C@H](C1)COC2	EMOLS-id_319132741	341.426	UHCQQLVQWJTUTJ-ZHOBSPGKSA-N	00000010100000000101000000000110000000000000000000000000	31-01-069276
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)CCS(=O)(=O)C	EMOLS-id_313809711	341.426	WXNDADARXXQYPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069277
CNC(=O)C[C@H]1CN(C(=O)CCS(=O)(=O)C)Cc2cccn2C1	ZINC22_585099231	341.426	WXNDADARXXQYPW-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069278
CNC(=O)C[C@@H]1CN(C(=O)CCS(=O)(=O)C)Cc2cccn2C1	ZINC22_585099232	341.426	WXNDADARXXQYPW-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069279
CNS(=O)(=O)CC1CCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_111422898	341.426	XRUUQRCHJOMMCN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069280
CS(=O)(=O)CC(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1	ZINC22_96206520,PC-id_97474682	341.426	HILGLVQEYSPALU-CYBMUJFWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-069281
CS(=O)(=O)CC(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1	ZINC22_96206521,PC-id_97474683	341.426	HILGLVQEYSPALU-ZDUSSCGKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-069282
CS(=O)(=O)CC(=O)N1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49228723	341.426	HILGLVQEYSPALU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-069283
O=C(C1(COC1)CS(=O)(=O)C)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319713022	341.426	ZNDPXNKLHNSIDM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-069284
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)CC1CCCCO1	EMOLS-id_112056974	341.426	DXWKBLYIPJDHAO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069285
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)CC1CCCOC1	EMOLS-id_111245444	341.426	DQFKMWUYPBVRMR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069286
O=C(c1noc2c1CCCCC2)N1CCCN(CC1)S(=O)(=O)C	EMOLS-id_111417670	341.426	PENVZGGPYAIJQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069287
O=C(c1noc2c1CCCCC2)N1CCN([C@H](C1)C)S(=O)(=O)C	EMOLS-id_111882028	341.426	ZBFDLVVVIUVCKJ-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-069288
O=C(c1noc2c1CCCCC2)NC1CCCN(C1)S(=O)(=O)C	EMOLS-id_111829013	341.426	DYTMOHOLZOWISX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069289
O=C(c1noc2c1CCCCC2)NCC1CCN(C1)S(=O)(=O)C	EMOLS-id_100983715	341.426	VTZINZWTLMRBSX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069290
O=C(c1noc2c1CCCCC2)NC[C@H]1CCCN1S(=O)(=O)C	EMOLS-id_100170062	341.426	IZTDDRBHKNLLET-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069291
O=C(N1CCCn2c(C1)cc(n2)[C@H](O)C)C1CCS(=O)(=O)CC1	PC-id_99971892	341.426	XWSGYJJFMSHKSW-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069292
O=C(N1CCCn2c(C1)cc(n2)[C@@H](O)C)C1CCS(=O)(=O)CC1	PC-id_99971893	341.426	XWSGYJJFMSHKSW-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-069293
c1(NC(=O)c2c3CCCCCc3on2)sc2c(CCCC2)c1C#N	MCULE-7093175153,TIMTEC497264,ZINC22_426585,PC-id_4257439,EMOLS-id_15972070	341.427	VEJLTBBXUVIHEE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-069294
c
(=N/C(=O)CC2c3ccccc3NC2=O)/sc2c(CCCCC2)[nH]1	EMOLS-id_44757443,STOCK7S-38732,PC-id_71705647,MCULE-2578734161,EMOLS-id_49406156	341.427	BDGONDZBJMEMSI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069295
c1(NC(=O)CN2Cc3c(cccc3)C2=O)sc2c(CCCCC2)n1	EMOLS-id_323298859,MCULE-8423730664	341.427	JUCMFYKFZJBLMB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069296
c1(sc2c(CCCCC2)n1)NC(=O)c1cc2c(cc(cc2)OC)[nH]1	EMOLS-id_323249054,MCULE-4763408723	341.427	KJNVVBBWRVOGDB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-069297
c1(sc2c(CCCCC2)n1)NC(=O)c1cc2c(ccc(OC)c2)[nH]1	EMOLS-id_323265416,MCULE-6250294060	341.427	ONWJGKTYWDKEGJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-069298
c1(sc2c(CCCCC2)n1)NC(=O)c1[nH]c2c(c(ccc2)OC)c1	MCULE-1565501898,EMOLS-id_323276956	341.427	FYNVBMBULIWFLK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-069299
Cc1c(C(=O)CSc2nnc3n2CCCCC3)oc2ccccc12	ZINC22_14141881,CoCoCo_3082275,EMOLS-id_13482236,MCULE-7847388287,PC-id_17454065	341.427	MEJAJNYOABKYTD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069300
C[C@@H](NC(=O)c1cc2c(s1)CCCNC2)c1cc2cnccc2o1	ZINC22_2325778829	341.427	RQZNIRYFNVONTF-LLVKDONJSA-N	00000000100000100100000001000010000000000000000000000000	31-01-069302
C[C@H](NC(=O)c1cc2c(s1)CCCNC2)c1cc2cnccc2o1	ZINC22_2325778830	341.427	RQZNIRYFNVONTF-NSHDSACASA-N	00000000100000100100000001000010000000000000000000000000	31-01-069303
COc1ccc2c(c1)[nH]c(c2)C(=O)N1CCCCc2c1sc(n2)C	MCULE-3169876276,EMOLS-id_319922354	341.427	IXTFWXDPZZPESP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-069304
COc1cccc2c1cc([nH]2)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320245973,MCULE-2024781356	341.427	WYJVBNHGAOYBCU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-069305
COCC1CN(Cc2cncn2C1)C(=O)c1cc2ccccc2s1	EMOLS-id_49231427	341.427	JXDJUXOHYMZSFH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069306
COCC1CN(Cc2cncn2C1)C(=O)c1csc2ccccc12	EMOLS-id_49229569	341.427	FDAOXXIKLALBPR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069307
COC[C@H]1CN(C(=O)c2cc3ccccc3s2)Cc2cncn2C1	PC-id_97476406,ZINC22_96208279	341.427	JXDJUXOHYMZSFH-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069308
COC[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2cncn2C1	PC-id_97476407,ZINC22_96208280	341.427	JXDJUXOHYMZSFH-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069309
COC[C@H]1CN(C(=O)c2csc3ccccc23)Cc2cncn2C1	PC-id_97475183,ZINC22_96207038	341.427	FDAOXXIKLALBPR-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069310
COC[C@@H]1CN(C(=O)c2csc3ccccc23)Cc2cncn2C1	ZINC22_96207039,PC-id_97475184	341.427	FDAOXXIKLALBPR-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069311
N#Cc1ccc(cc1)COCC(=O)N1CCCCc2c1sc(n2)C	MCULE-8191935748,EMOLS-id_320307035	341.427	WLYOWAGWBSBUHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069312
N#Cc1ccc(cc1)OC(C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_318930360	341.427	TXQPTWKRVGDNIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069313
N#CCCSc1ccccc1NC(=O)c1noc2c1CCCCC2	MCULE-1269935609,EMOLS-id_76047614,PC-id_121581281,ZINC22_153123690	341.427	YUIODKNBKZFBBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069314
O=C1Cc2c(N1)cc(cc2)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319210035	341.427	HALQBOXVDQLMAW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069315
OCc1nc2c(n1C)ccc(c2)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319577710	341.427	QEZJBRIFCYBTAT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069316
O=C(Cc1ccc2c(c1)NC(=O)C2)Nc1nc2c(s1)CCCCC2	EMOLS-id_99299632	341.427	BAYVIJKEECVPJE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069317
O=C(CC1NC(=O)c2c1cccc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_278262705	341.427	OCXASQZXJXKJAV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069318
O=C(Cc1noc2c1cccc2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98561578	341.427	DXGOBDPQWKLEEG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069319
O=C(C[C@H]1C(=O)Nc2ccccc12)Nc1nc2c(s1)CCCCC2	PC-id_97265340,ZINC22_95476725	341.427	BDGONDZBJMEMSI-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069320
O=C(C[C@@H]1C(=O)Nc2ccccc12)Nc1nc2c(s1)CCCCC2	ZINC22_101409866,PC-id_98206950	341.427	BDGONDZBJMEMSI-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069321
O=C(C(N1CCCc2c(C1)cco2)C)Nc1nc2c(s1)cccc2	EMOLS-id_99340324	341.427	PWARSWPOXQSIGB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069322
O/C(=CSc1nnc2n1CCCCC2)/c1oc2c(c1C)cccc2	CoCoCo_3082276,CoCoCo_3082279	341.427	CDDTUEBWLPDRDO-KAMYIIQDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069323
O/C(=C/Sc1nnc2n1CCCCC2)/c1oc2c(c1C)cccc2	CoCoCo_3082277,CoCoCo_3082278	341.427	CDDTUEBWLPDRDO-SDNWHVSQSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069324
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2c(s1)CCCCCC2	CoCoCo_3193697,ZINC22_12850187,MCULE-5922627209,EMOLS-id_23655531,PC-id_25551366,GD-id_ZINC12850187	341.427	YFRLUKPDGHLWGN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069325
s1c2CCCCCc2nc1NC(=O)C(Oc1cc(ccc1)C#N)C	PC-id_56071257	341.427	GMGSBQFVBBDKEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069326
s1c2CCCCCCc2nc1NC(=O)COc1ccc(cc1)C#N	PC-id_56020950	341.427	ILOSHVIXXDSECR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069327
c1(cn2c(CCNCC2)n1)C(=O)N1CCN(CC1)S(=O)(=O)CC	EMOLS-id_330433052,MCULE-2243317944,ZINC22_1857720732	341.429	HJCHEOFRLBZTPR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069328
CN(C)C(=O)N1CCCn2nc(CNS(=O)(=O)C3CC3)cc2C1	MCULE-6529464111,EMOLS-id_44434875,ZINC22_82108796,PC-id_70737139	341.429	KVRACNYGNOJTAS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-069329
CN(C(=O)C1CN(C1)S(=O)(=O)C)Cc1nnc2n1CCCCC2	EMOLS-id_319268792	341.429	NOXPWVZAMDQWNW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-069330
CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1nnc2n1CCCCC2	PC-id_93824411,ZINC22_41820916	341.429	PJDDRBGNNFWIGQ-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069331
CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1nnc2n1CCCCC2	ZINC22_41820918,PC-id_93824412	341.429	PJDDRBGNNFWIGQ-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-069332
CS(=O)(=O)N1CCCn2nc(CNC(=O)C3CCCN3)cc2C1	PC-id_72937705,EMOLS-id_46097737,MCULE-3052078823	341.429	HUNUCZPBTCDYEB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069333
CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@H]3CCCN3)cc2C1	PC-id_97155090,ZINC22_92066034	341.429	HUNUCZPBTCDYEB-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069334
CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@@H]3CCCN3)cc2C1	ZINC22_92066033,PC-id_97155089	341.429	HUNUCZPBTCDYEB-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069335
CS(=O)(=O)NCc1cnc2CCN(CCn12)C(=O)N1CCCC1	PC-id_97467180,ZINC22_96197036,EMOLS-id_44329001	341.429	IVJRKQVSSFIRJJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069336
O=C(C1CCCN1S(=O)(=O)C)NCc1nnc2n1CCCCC2	PC-id_53501768,EMOLS-id_35691724,MCULE-3275458707	341.429	PJDDRBGNNFWIGQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069337
O=C(N1CCCC1)NCc1nn2c(c1)CN(CCC2)S(=O)(=O)C	PC-id_70707051,MCULE-3460935675,EMOLS-id_44424263	341.429	QUPHJTAOLKZWJM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069338
O=C(N1CCCn2c(C1)c(nc2)CNS(=O)(=O)C)N1CCCC1	PC-id_97519527	341.429	MUGKZYURKWDMAX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069339
O=S(=O)(C1CC1)N1CCCn2nnc(CN3CCOCC3)c2C1	EMOLS-id_46182519,ZINC22_96084746,PC-id_97405569	341.429	ZHWSSGGZDFTYJV-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-069340
c12CN(CCCn1nc(C)c2)C(=O)Nc1ccc2c(c1)nc(s2)C	MCULE-1026361127,ZINC22_299781823,EMOLS-id_68912417,PC-id_118781071	341.431	DZQJFOQNOIHJDA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069341
c12CN(CCCn1nc(C)c2)C(=O)Nc1ccc2c(c1)sc(n2)C	PC-id_118786185,MCULE-4617043932,ZINC22_299794847,EMOLS-id_68922491	341.431	NGVJQFKIKARPOD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069342
c12CN(CCCn1nc(CNc1sc3c(cccc3)n1)c2)C(=O)C	PC-id_70782164,EMOLS-id_44450513,MCULE-7144763816,ZINC22_85533895	341.431	ZRYUKABWYSAMRD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069343
c12ncc(cn1ncc2C(=O)Nc1sc2c(CCCCCC2)n1)C	PC-id_134697999,EMOLS-id_316186798,MCULE-8745207826,ZINC22_895856317	341.431	UVWQIKAFZCKLQO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069344
c1ccc(cn1)OCc1nnn2c1CN(CCC2)Cc1cccs1	PC-id_97413556	341.431	BGAHBXWPZJXVPR-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-069345
c1ccc(cn1)OCc1nnn2c1CN(CCC2)Cc1cscc1	PC-id_97519091,CHEMBL3553503	341.431	XOBHVBYPDHAIFN-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-069346
c1ccc(OCc2nnc3n2CCN(Cc2cccs2)CC3)nc1	EMOLS-id_44369950,PC-id_97519287,ZINC22_96259202	341.431	SLHPXYQOZPMKQT-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-069347
c1ccc(OCc2nnc3n2CCN(Cc2ccsc2)CC3)nc1	PC-id_97519286,ZINC22_96259201,EMOLS-id_44369948	341.431	HRKJWZFSVLGDMF-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-069348
c1ccc(OCc2nnn3c2CN(Cc2ccsc2)CCC3)nc1	ZINC22_96258995,PC-id_97519085,EMOLS-id_44369538	341.431	ZJIXUCUNIVSTDG-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-069349
c1ccc(OC[C@H]2CN(Cc3nccs3)Cc3cncn3C2)nc1	ZINC22_96207429,PC-id_97475556	341.431	SBJVRNFQQVSZAL-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069350
c1ccc(OC[C@@H]2CN(Cc3nccs3)Cc3cncn3C2)nc1	ZINC22_96207430,PC-id_97475557	341.431	SBJVRNFQQVSZAL-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069351
c1cncc(OC[C@H]2CN(Cc3nccs3)Cc3cncn3C2)c1	PC-id_97477075,ZINC22_96208948	341.431	MSJYLUPLXSZVLL-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069352
c1cncc(OC[C@@H]2CN(Cc3nccs3)Cc3cncn3C2)c1	PC-id_97477076,ZINC22_96208949	341.431	MSJYLUPLXSZVLL-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069353
c1cncc(OC[C@H]2CN(Cc3nccs3)Cc3nccn3C2)c1	PC-id_97462412,ZINC22_96187964	341.431	FPQDVSHHCDXXAC-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069354
c1cncc(OC[C@@H]2CN(Cc3nccs3)Cc3nccn3C2)c1	ZINC22_96187965,PC-id_97462413	341.431	FPQDVSHHCDXXAC-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069355
c1(C(=O)N(C)Cc2sc3c(cccc3)n2)nnc2CCCCCn12	MCULE-4128561619,EMOLS-id_232895093,ZINC22_828219114	341.431	CFPFPCUBMCYBPL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069356
c1(NC(=O)CCc2nnc3ccccn23)sc2c(CCCCC2)n1	EMOLS-id_323462592,MCULE-5127715254	341.431	GTPFWSTVMMSUDY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069357
Cc1ccc2c(c1)nc(s2)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316591015	341.431	MAOJWDMPGCVUHD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069358
Cc1ccc(c2noc(CSc3nnc4n3CCCCC4)n2)cc1	ZINC22_8036499,EMOLS-id_3660025,PC-id_9166324,MCULE-9995334637,CoCoCo_3081355	341.431	NGNUFTFVXZUGJJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-069359
Cc1ccccc1c1noc(CSc2nnc3n2CCCCC3)n1	CoCoCo_3081576,EMOLS-id_11881440,MCULE-4697630712,ZINC22_6097346,PC-id_7876826	341.431	JVPKIWVZYCUVIK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-069360
Cc1ccc(CN2Cc3ccnn3C[C@@H](Oc3ncccn3)C2)s1	ZINC22_306128061	341.431	GPBGJZKXVKOSJV-HNNXBMFYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-069361
Cc1ccc(CN2Cc3ccnn3C[C@H](Oc3ncccn3)C2)s1	ZINC22_306128062	341.431	GPBGJZKXVKOSJV-OAHLLOKOSA-N	00000000100100100101000000000010000000000000000000000000	31-01-069362
Cc1ccc(CN2CC(Cn3nccc3C2)Oc2ncccn2)s1	EMOLS-id_50013054	341.431	GPBGJZKXVKOSJV-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-069363
Cc1cc(C(=O)Nc2nc3c(s2)CCCCC3)c2c(n1)n(C)nc2	EMOLS-id_111544218	341.431	SJEOULFGHMLEIX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069364
Cc1ccsc1C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1	ZINC22_96188576,PC-id_97463010	341.431	RNLSXVRYXABEDU-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069365
Cc1ccsc1C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	ZINC22_96188577,PC-id_97463011	341.431	RNLSXVRYXABEDU-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069366
Cc1ccsc1C(=O)N1CCc2ncc(Cn3cccn3)n2CC1	EMOLS-id_44328857,PC-id_97467107,ZINC22_96196963	341.431	WCQFVVWBDVZYEW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069367
Cc1ccsc1C(=O)N1CC(Cn2cccn2)Cn2ccnc2C1	EMOLS-id_44326419	341.431	RNLSXVRYXABEDU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069368
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]cc(c1)c1csc(n1)C	EMOLS-id_319283354	341.431	XNJUXTBQZDFRMR-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-069369
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc2c(c1)c(C)nn2C	EMOLS-id_319866954	341.431	GFTIRGPSNCQRJG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069370
Cc1sc2c(n1)CCCCN2C(=O)Cn1ncc2c1ncc(c2)C	EMOLS-id_320046591,MCULE-3092987267	341.431	QAKZKALGNKRDFD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069371
CC(c1nnc(o1)c1ccccc1)Sc1nnc2n1CCCCC2	MCULE-6681882077,EMOLS-id_13567088,PC-id_17478801	341.431	BTSCOBKTUOYMJP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-069372
C[C@H](Sc1nnc2n1CCCCC2)c1nnc(c2ccccc2)o1	CoCoCo_3968336,PC-id_8941838,ZINC22_7822028	341.431	BTSCOBKTUOYMJP-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-069373
C[C@@H](Sc1nnc2n1CCCCC2)c1nnc(c2ccccc2)o1	CoCoCo_3968337,PC-id_8941841,ZINC22_7822031	341.431	BTSCOBKTUOYMJP-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-069374
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cccc(C#N)c1	PC-id_31960611,CoCoCo_3081796,ZINC22_24632866	341.431	SOSXMHQJLUCIFU-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069375
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cccc(C#N)c1	ZINC22_24632872,CoCoCo_3081797,PC-id_31960616	341.431	SOSXMHQJLUCIFU-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069376
CCn1nnc2cc(C(=O)Nc3nc4c(s3)CCCCC4)ccc12	PC-id_16605143,MCULE-4162397631,ZINC22_14806979,EMOLS-id_50300323	341.431	NPLIVHUNAITYDP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069377
Cn1cc(c(n1)c1cccs1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674751	341.431	PZYFIHZAPOYMFH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-069378
Cn1c(n2cccc2)c(C(=O)Nc2sc3c(CCCCC3)n2)cn1	EMOLS-id_323225980,MCULE-7874877615	341.431	VBAKESJORRKYJP-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-069379
CN(C(=O)C1CCn2c(CC1)nnn2)Cc1csc2c1cccc2	MCULE-2977872982,EMOLS-id_172347744,PC-id_122154931	341.431	HEELKLJMUSLFOS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069380
C(Oc1ccccn1)C1CN(Cc2nccs2)Cc2cncn2C1	EMOLS-id_49230147	341.431	SBJVRNFQQVSZAL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069381
C(Oc1cccnc1)C1CN(Cc2nccs2)Cc2cncn2C1	EMOLS-id_49232529	341.431	MSJYLUPLXSZVLL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069382
C(Oc1cccnc1)C1CN(Cc2nccs2)Cc2nccn2C1	EMOLS-id_44325983,CHEMBL3552181,PC-id_118745951	341.431	FPQDVSHHCDXXAC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069383
CSc1nc(c2n1cccc2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670166	341.431	VRSWBFZXCDQGCP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069384
N#Cc1cccc(c1)NC(=O)C(Sc1nnc2n1CCCCC2)C	EMOLS-id_24975102,PC-id_42902469,MCULE-2645912216	341.431	SOSXMHQJLUCIFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069385
N#Cc1ccccc1NC(=O)C(Sc1nnc2n1CCCCC2)C	PC-id_78559258,EMOLS-id_318410805	341.431	QLVYQKSMVOUDFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069386
O=c1cccnn1CC1CN(Cc2ccsc2)Cc2nccn2C1	PC-id_118745472,EMOLS-id_44326569	341.431	BPJVDZYUYXGPSR-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-069387
O=c1cccnn1C[C@H]1CN(Cc2ccsc2)Cc2nccn2C1	PC-id_97463159,ZINC22_96188726	341.431	BPJVDZYUYXGPSR-HNNXBMFYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-069388
O=c1cccnn1C[C@@H]1CN(Cc2ccsc2)Cc2nccn2C1	PC-id_97463160,ZINC22_96188727	341.431	BPJVDZYUYXGPSR-OAHLLOKOSA-N	00000000100100100101000000000010000000000000000000000000	31-01-069389
O=C(c1ccc2c(c1)n(C)nn2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99424180	341.431	GVNCYUKQKDCJHU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069390
O=C(c1ccc2c(c1)nnn2C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98580805	341.431	NDBLNYJCZBQCEG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069391
O=C(c1cn2nccc2nc1C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101195047	341.431	JQYZJAKWJOPFPH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069392
O=C(c1cnc2c(c1)c(C)[nH]n2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644573	341.431	CZXJWSXMHZJLGK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069393
O=C(c1cnc2c(c1)c(C)nn2C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110495470	341.431	YSDLNUAVTGUDJZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069394
O=C(c1sc2c(c1N)cccn2)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-2742447592,EMOLS-id_316451371	341.431	SAGTWWFZQCPBJV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069395
O=C(Cc1cccs1)N1CCc2ncc(Cn3cccn3)n2CC1	EMOLS-id_46161867,PC-id_97390220,ZINC22_96067914	341.431	IPPRQVKYTIOWOJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069396
O=C(Cc1ccsc1)N1Cc2nccn2C[C@H](Cn2cccn2)C1	PC-id_97463013,ZINC22_96188579	341.431	VQTKZEIJLZZPFO-HNNXBMFYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069397
O=C(Cc1ccsc1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	ZINC22_96188578,PC-id_97463012	341.431	VQTKZEIJLZZPFO-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069398
O=C(Cc1ccsc1)N1CCc2ncc(Cn3cccn3)n2CC1	EMOLS-id_44328859,PC-id_97467108,ZINC22_96196964	341.431	AEWCOVUKWNXZDC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069399
O=C(Cc1ccsc1)N1CC(Cn2cccn2)Cn2ccnc2C1	EMOLS-id_44326421	341.431	VQTKZEIJLZZPFO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069400
O=C(CCc1cc2CNCCCn2n1)Nc1ccc2ncsc2c1	PC-id_70733973,MCULE-9556903470,EMOLS-id_43107561,ZINC22_72424937	341.431	YBMQPCXJHHEGDA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069401
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Cc1cccc2c1nsn2	EMOLS-id_319375802	341.431	LXSHYCISULSNPK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069402
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)sc(n2)C	EMOLS-id_101961176	341.431	VCIWBBFODQPHCO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069403
O=C(N1CCCc2c(C1)cnn2C)NCc1nc2c(s1)cccc2	EMOLS-id_101726559	341.431	KLWGEZZWBHJGJA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069404
O=C(N1CCCCc2c1sc(n2)C)Cn1nc(c2c1nccc2)C	EMOLS-id_319464963	341.431	ATCGSLPIBAYLSA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069405
O=C(N1CCCn2c(C1)cc(n2)N)NCc1ccc2c(c1)ccs2	EMOLS-id_319862042	341.431	HWWLJKJUCHKPRS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069406
O=C(N1CCCn2c(C1)cc(n2)N)NCc1csc2c1cccc2	EMOLS-id_319103429	341.431	DAEJJRZAJUDUIE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069407
O=C(Nc1nc2c(s1)cccc2)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319370522	341.431	ISGGTRYZDXLYSW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069408
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccn2c(c1)ncc2	EMOLS-id_100165657	341.431	OVLJYOAFVMPPKF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069409
O=C(NCc1nnc2n1CCCCC2)c1sccc1n1cccc1	EMOLS-id_24056226,ZINC22_32902612,CoCoCo_4625792,MCULE-4399171661,PC-id_40138843	341.431	LLEMMISNMKVESZ-UHFFFAOYSA-N	00000000110100000101100000000010000000000000000000000000	31-01-069410
S(c1n2CCCCCc2nn1)Cc1oc(nn1)c1cc(ccc1)C	PC-id_8379193	341.431	IMGRMOGONCHUHY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-069411
S(c1n2CCCCCc2nn1)C(C)C(=O)Nc1ccc(cc1)C#N	PC-id_78559268	341.431	ABOWRPJFYBLKRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069412
S(c1n2CCCCCc2nn1)CC(=O)N(c1ccccc1)CC#N	PC-id_7876596	341.431	HBUNPUQTJPEAKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069413
S(c1n2CCCCCc2nn1)[C@@H](C)C(=O)Nc1c(cccc1)C#N	PC-id_7877170	341.431	QLVYQKSMVOUDFE-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069414
S(c1n2CCCCCc2nn1)[C@H](C)C(=O)Nc1c(cccc1)C#N	PC-id_7877172	341.431	QLVYQKSMVOUDFE-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069415
S(c1n2CCCCCc2nn1)[C@@H](C)C(=O)Nc1ccc(cc1)C#N	PC-id_7877214	341.431	ABOWRPJFYBLKRR-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069416
S(c1n2CCCCCc2nn1)[C@H](C)C(=O)Nc1ccc(cc1)C#N	PC-id_7877215	341.431	ABOWRPJFYBLKRR-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069417
S(Cc1n2CCCCCc2nn1)c1n(c2c(n1)cccc2)C(=O)C	PC-id_23769143	341.431	OIXLYOPMOJNNSY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069418
c1cnc(NCc2nnn3c2CN(Cc2cccs2)CCC3)nc1	CHEMBL3553304,EMOLS-id_44370546,ZINC22_96259498,PC-id_97519581	341.434	LMWZKYXPLLCWLI-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-069419
c1cnc(NCc2nnn3c2CN(Cc2ccsc2)CCC3)nc1	ZINC22_96259497,CHEMBL3553726,EMOLS-id_44370544,PC-id_97519580	341.434	PHWRJXVHGAQDEK-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-069420
c1cnc(NC[C@@H]2CN(Cc3nccs3)Cc3ccnn3C2)nc1	ZINC22_306126684	341.434	FCBRFSLZLFDHLS-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-069421
c1cnc(NC[C@H]2CN(Cc3nccs3)Cc3ccnn3C2)nc1	ZINC22_306126685	341.434	FCBRFSLZLFDHLS-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-069422
CC1CCc2nnc(n2N=C1C)Sc1cc2c(cc1)nc([nH]2)NC	PC-id_91589209	341.434	OFHIIBIOBBQPQL-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-069423
C(Nc1ncccn1)C1CN(Cc2nccs2)Cc2ccnn2C1	EMOLS-id_50376575	341.434	FCBRFSLZLFDHLS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-069424
CCOC(=O)c1cc(c2-c1cccc(c2)C(C)C)/C=[N+](/C(C)(C)C)[O-]	PC-id_145817018	341.444	OQJLQBGOHMIARH-XKZIYDEJSA-N	00000010100000000110000000000010000000000000000000000000	31-01-069425
CC(c1ccc(c2-c(c1)c(C)cc2/C=C/1C(=O)Nc2c1cccc2)C)C	PC-id_22302884,SCHEMBL3284848	341.446	SDGLPTLNGYBCAL-BKUYFWCQSA-N	00000010100000100110000000001010000000000000000000000000	31-01-069426
CC(c1ccc(c2-c(c1)c(C)cc2/C=C
/C(=O)Nc2c1cccc2)C)C	SCHEMBL13324595	341.446	SDGLPTLNGYBCAL-FYJGNVAPSA-N	00000010100000100110000000001010000000000000000000000000	31-01-069427
CC(c1ccc(c2-c(c1)c(C)cc2C=C1C(=O)Nc2c1cccc2)C)C	SCHEMBL3284851,PC-id_2740992	341.446	SDGLPTLNGYBCAL-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-069428
CCOC(=O)c1c(sc2c1CCC[N+](C2)(C(=O)O)C(C)(C)C)N	PC-id_91222299	341.446	LJXVZPPDNMEYAV-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-069429
CCOC(=O)c1c(sc2c1CC[N+](CC2)(C(=O)O)C(C)(C)C)N	PC-id_91170923	341.446	VSIGRPSNSBJFKZ-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-069430
s1c2c(CCCCC2)c(c1NC(=O)CSC(=O)C)C(=O)OC	PC-id_16949165	341.446	UGYJQHYFWDNXFS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-069431
c12CN(CCCc1n(nc2)C)C(=O)CCCOc1ccc(cc1C)C	ZINC22_12236359,PC-id_92428021,EMOLS-id_370934,MCULE-5434367731,AOP-19598571	341.447	SBGFAOQLMVYYKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069432
c12CN(CCCc1n(nc2)C)C(=O)COc1ccc(cc1)C(C)(C)C	MCULE-5711994472,ZINC22_12219949,PC-id_92423365,EMOLS-id_370926,AOP-19598556	341.447	NBJXYKBQDGCLPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069433
c12CN(CCCn1nc(C)c2)C(=O)c1ccc(cc1)CCC(C)(C)O	MCULE-9296822936,EMOLS-id_43131705,ZINC22_72434429,PC-id_56900557	341.447	GKJTYMVMEJAKFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069434
c12CN(CCCn1nc(C)c2)C(=O)c1cccc(CCC(C)(C)O)c1	EMOLS-id_43119163,MCULE-3461220868,PC-id_70740318,ZINC22_72428410	341.447	FLGYCTGNQKPESN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069435
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1c(C)cc(c(C)c1)C	ZINC22_72454127,MCULE-1683720602,EMOLS-id_43144206,PC-id_56904823	341.447	USRODNJZZFTRRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069436
c12CN(CCCn1nc(CO)c2)Cc1cc2CCCc2cc1OCC	PC-id_91785360,EMOLS-id_55675337,MCULE-1962046769	341.447	OZTKVGFIYPULDM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069437
c1cc2n(c1)C[C@@H](OCc1ccncc1)CN(CC1CCOCC1)C2	ZINC22_253588430	341.447	CFJWJQJWSMMIHH-FQEVSTJZSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069438
c1cc2n(c1)C[C@H](OCc1ccncc1)CN(CC1CCOCC1)C2	ZINC22_253588431	341.447	CFJWJQJWSMMIHH-HXUWFJFHSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069439
c1ccc(CO[C@H]2CN(CC3CCOCC3)Cc3cccn3C2)nc1	ZINC22_253588480	341.447	FERCLAANGGFDCA-FQEVSTJZSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069440
c1ccc(CO[C@@H]2CN(CC3CCOCC3)Cc3cccn3C2)nc1	ZINC22_253588481	341.447	FERCLAANGGFDCA-HXUWFJFHSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069441
c1(C(O)C2CC2)cc2n(CCCN(CCOCc3ccccc3)C2)n1	EMOLS-id_55680821,MCULE-9298359998,PC-id_91787283	341.447	OEWFXGPOEGWPDK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069442
c1(C(=O)Nc2cc(C)ccc2OCC(C)C)c2CCCCCc2[nH]n1	EMOLS-id_335052504,MCULE-6810632816	341.447	PAYZTANCEFIVGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069443
c1(C(=O)NCCCN(C)Cc2ccccc2)c2CCCCCc2on1	CoCoCo_2401412,CoCoCo_2401411,MCULE-7862692414,EMOLS-id_16234823,PC-id_20923863	341.447	DATYEYLROZNIHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069444
c1(C(=O)NCCCN(CC)c2ccccc2)c2CCCCCc2on1	EMOLS-id_16234827,PC-id_20923865,CoCoCo_2401415,MCULE-6273497042	341.447	JMSZLPOIQHBKIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069445
Cc1ccc(cc1)Cn1cc2c(n1)CCN(CC2)C(=O)OC(C)(C)C	PC-id_141114051	341.447	CEHCNGFQSVEEFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069446
Cc1ccc(CN2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)o1	ZINC22_585099051	341.447	GWSLNNBSIBDDEH-KRWDZBQOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-069447
Cc1ccc(CN2Cc3cccn3C[C@H](CC(=O)NCC3CC3)C2)o1	ZINC22_585099052	341.447	GWSLNNBSIBDDEH-QGZVFWFLSA-N	00100000101000000101000000000010000000000000000000000000	31-01-069448
Cc1ccc(CN2CC(CC(=O)NCC3CC3)Cn3cccc3C2)o1	EMOLS-id_313730738	341.447	GWSLNNBSIBDDEH-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-069449
Cc1ccc(C(=O)N2CCCn3cnc(COC(C)C)c3C2)cc1C	PC-id_97405856,EMOLS-id_46183097,ZINC22_96085038	341.447	ZWOGAHGCQABBOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069450
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1COC(C)(C)C	EMOLS-id_318974551	341.447	KXNNECIRBGAWHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069451
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1ccccc1)OC(C)(C)C	EMOLS-id_319103277	341.447	HYGNUZWFELWUGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069452
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCOc1ccccc1C(C)C	EMOLS-id_319428195	341.447	KZUYIPRCUXFYER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069453
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(COCc1ccccc1)(C)C	EMOLS-id_319622780	341.447	SNFCZWZLZSDGPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069454
CC1CN(Cc2c(C1)[nH]nc2)C(=O)COc1cc(C)ccc1C(C)C	EMOLS-id_319410997	341.447	RZWCLXIDWCJRLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069455
CCc1ccc(cc1)C(=O)N1CCCn2c(C1)c(COC(C)C)nc2	PC-id_97520006	341.447	MFDRIZNTLQHKRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069456
CCC(c1ccc(cc1)OC)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319528295	341.447	HQADNARAPZNORA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069457
CCC(c1ccccc1OCC(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319578963	341.447	GTLOBHIAZZUHRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069458
CCCCC(=O)N1Cc2cccn2C[C@H](OCc2cccc(C)n2)C1	ZINC22_575406827	341.447	VCCRGIZVYXTMRA-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-069459
CCCCC(=O)N1Cc2cccn2C[C@@H](OCc2cccc(C)n2)C1	ZINC22_575406828	341.447	VCCRGIZVYXTMRA-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069460
CCCCC(=O)N1CC(Cn2cccc2C1)OCc1cccc(C)n1	EMOLS-id_55752145	341.447	VCCRGIZVYXTMRA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069461
CC[C@H](N(C(=O)c1cnc2n1CCCCC2)Cc1ccccc1)CO	EMOLS-id_318082225	341.447	PDNDACOZQKTTMU-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069462
CC(COc1ccc(cc1)CC(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319877545,MCULE-7197096598	341.447	LOACFEZLSXJMIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069463
CC(C)OCc1ncn2c1CN(C(=O)CCc1ccccc1)CCC2	ZINC22_96259931,EMOLS-id_44371398,PC-id_97520011	341.447	OYEQGFFDRWAULJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069464
CCOc1ccc(cc1)CCNC(=O)Cn1cc2c(n1)CCCCC2	CoCoCo_2192315,PC-id_20892473	341.447	ITIYOQFZFXWKEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069465
CCOc1ccc(cc1)CNC(=O)Cn1nc2c(c1)CCCCCC2	ChEMBL-DNDi_CHEMBLC881-1468	341.447	NCXPCGCBPOSFHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069466
CC(OC(c1ccccc1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C)C	EMOLS-id_318257738	341.447	HCVYKZYJKYGKQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069467
CCOCC1CN(Cc2cncn2C1)C(=O)CCc1ccccc1C	EMOLS-id_49231041	341.447	IEPJXLPUQCINEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069468
CCOC[C@@H]1CN(C(=O)CCc2ccccc2C)Cc2cncn2C1	PC-id_97476150,ZINC22_96208023	341.447	IEPJXLPUQCINEX-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069469
CCOC[C@H]1CN(C(=O)CCc2ccccc2C)Cc2cncn2C1	ZINC22_96208022,PC-id_97476149	341.447	IEPJXLPUQCINEX-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069470
COc1cc2CCCc2cc1CN1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99987627	341.447	FLUMLCGGJXCKHG-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069471
COc1cc2CCCc2cc1CN1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99987632	341.447	FLUMLCGGJXCKHG-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069472
COc1cc2CCCc2cc1CN1CCCn2nc(cc2C1)C(C)O	MCULE-4633565866,EMOLS-id_55686585,PC-id_91789251	341.447	FLUMLCGGJXCKHG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069473
COc1cccc(c1)CC(CC(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319576149	341.447	IPFJLZOUOWHPOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069474
COc1ccccc1CC(CC(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319926528,MCULE-8784062392	341.447	LMCRYZQJCXZTFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069475
COc1ccccc1CCC(=O)N1CCCn2c(C1C(C)C)ncc2	EMOLS-id_97008152,MCULE-9535933652	341.447	ZAEAGFTVJMGEFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069476
COc1cccc(CN2CCCn3cnc(COCC4CC4)c3C2)c1	ZINC22_1203819685,EMOLS-id_313727701	341.447	XWHGRXJSEYOUJU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069477
COc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)cc1	ZINC22_96059022,PC-id_97381675,EMOLS-id_46148335	341.447	ZYBLTUFMJQXXKE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069478
C(OC1CN(CC2CCOCC2)Cc2cccn2C1)c1ccccn1	EMOLS-id_50008550	341.447	FERCLAANGGFDCA-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069479
C(OC1CN(CC2CCOCC2)Cc2cccn2C1)c1ccncc1	EMOLS-id_50007916	341.447	CFJWJQJWSMMIHH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069480
COCCCNC(=O)c1ccc2CN(Cc3ccccc3)CCCn12	EMOLS-id_317418073,MCULE-4601628091	341.447	ATELMBGBMIWCDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069481
Oc1ccc(cc1)C(=O)Nc1n[nH]c2c1CCCCCCCCCC2	PC-id_102091269	341.447	JAVKSTGLZKAGHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069482
O=C1NCCCc2c1n(CCCCNCCOc1ccccc1)cc2	PC-id_139891802	341.447	QHPHISNTEILMLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069483
OCc1ccc(CN2Cc3ccnn3CCC2COCC2CC2)cc1	EMOLS-id_313819171	341.447	TYZCGTUXLGGORR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069484
OCc1ccc(CN2Cc3ccnn3CC[C@H]2COCC2CC2)cc1	ZINC22_585098086	341.447	TYZCGTUXLGGORR-FQEVSTJZSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069485
OCc1ccc(CN2Cc3ccnn3CC[C@@H]2COCC2CC2)cc1	ZINC22_585098087	341.447	TYZCGTUXLGGORR-HXUWFJFHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069486
O[C@@H](c1cc2n(n1)CCCN(CCOCc1ccccc1)C2)C1CC1	PC-id_100153224,ZINC22_222846291	341.447	OEWFXGPOEGWPDK-HXUWFJFHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069487
O[C@H](c1cc2n(n1)CCCN(CCOCc1ccccc1)C2)C1CC1	PC-id_100153232,ZINC22_222846351	341.447	OEWFXGPOEGWPDK-FQEVSTJZSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069488
O=C(N1CCc2c(CC1)cn(n2)CCc1ccccc1)OC(C)(C)C	PC-id_141114045	341.447	BLHFGRCPLCTECQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069489
O=C(N1CCc2c(CC1)nc[nH]2)OCCc1ccc(cc1)C(C)(C)C	PC-id_142022555	341.447	UUDOPBSPDVJCPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069490
O=C(N1CCCc2c(C1)cnn2C)C(Oc1cccc(c1)C(C)C)C	EMOLS-id_318261064	341.447	AMWQYZMBIMQMAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069491
O=C(N1CCCCCC1c1cccn1C)c1noc2c1CCCCC2	EMOLS-id_111824476	341.447	UPCONLMZGNWJTE-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-069492
O=C(Nc1n[nH]c2CCCCCCCCCCc12)c1c(O)cccc1	PC-id_10783429	341.447	LKMKRRPSPJNIJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069493
O(C(=O)N1CCCc2[nH]cnc2CC1)Cc1ccc(C(C)(C)C)cc1	PC-id_20803088	341.447	YRZXPSTYWJKODG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069494
Cc1cc(c(C)s1)S(=O)(=O)N1CCCn2nc(CO)cc2C1	PC-id_91769288,EMOLS-id_55629072,MCULE-9310422784	341.449	QNPURJHLHYWVJT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069495
Cc1cc(CS(=O)(=O)Nc2nc3c(s2)CCCCCC3)no1	EMOLS-id_48808721,PC-id_75471231,MCULE-6221218992,ZINC22_92863646	341.449	PKIYCPSJZKZYDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069496
CCOCC1CN(Cc2nccn2C1)S(=O)(=O)c1cccs1	EMOLS-id_44325831	341.449	CFRYYKPCNZZCJN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069497
CCOCc1ncn2c1CN(S(=O)(=O)c1cccs1)CCC2	EMOLS-id_44371370,PC-id_97519997,ZINC22_96259917	341.449	RALLJBUZJQMWCI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069498
CCOC[C@H]1CN(S(=O)(=O)c2cccs2)Cc2nccn2C1	PC-id_97462251,ZINC22_96187798	341.449	CFRYYKPCNZZCJN-GFCCVEGCSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069499
CCOC[C@@H]1CN(S(=O)(=O)c2cccs2)Cc2nccn2C1	PC-id_97462252,ZINC22_96187799	341.449	CFRYYKPCNZZCJN-LBPRGKRZSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069500
CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)S(=O)(=O)C	EMOLS-id_48772350,PC-id_75414435,MCULE-8160660718,ZINC22_78416981	341.449	QCOSHXQQKLQTPQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-069501
N#CC(=C(C#N)C#N)c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2	PC-id_42604932	341.449	GJBXLYNWANJFOP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-069502
c12CN(CCC)CCCn1nc(CNC(=O)NCc1ccccc1)c2	EMOLS-id_44439163,MCULE-3034103793,ZINC22_82120747,PC-id_70749317	341.451	WDTJFUPNXMSHAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069503
c12CN(CCCn1nc(CNC(=O)c1cccc(C)n1)c2)CC(C)C	PC-id_70743459,ZINC22_82115337,MCULE-1547347837,EMOLS-id_44437167	341.451	CDSHTCXLNAINRF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069504
c1ccc(COC2CCN(Cc3cc4n(n3)CCCNC4)CC2)nc1	PC-id_56897873,MCULE-7261971250,ZINC22_72158481,EMOLS-id_43121883	341.451	HVRWZPKLJDJFEE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069505
c1ccc(N(Cc2nnc3n2CCCCC3)CN2CCOCC2)cc1	MCULE-2960549429,EMOLS-id_29382410,CoCoCo_6773143,PC-id_51700674,ZINC22_35682684	341.451	ZXKRXTAZSRWHBL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-069506
c1cc(N2CCOCC2)ccc1CNCc1nnc2n1CCCCC2	ZINC22_71831324,PC-id_56827830,EMOLS-id_36991159,MCULE-2172092422	341.451	CWPDIZRPLXAJIB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-069507
C1CCNc2c(C1)sc(c2)C(=O)c1csc(n1)c1cnccc1	PC-id_86751128	341.451	GMPBIXNFOIHCCR-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-069508
c1(CN2CCN(CC2)c2cccc(C)c2C)nnc2CCOCCn12	MCULE-1144186901,ZINC22_2100473362,EMOLS-id_337660860	341.451	JYYQGRSRIJJDBJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-069509
c1(CN(C)c2cc(C3CCOC3)nc(C)n2)c2CCCCCc2[nH]n1	MCULE-8842017409,EMOLS-id_82702161,PC-id_119059468	341.451	LRIQNLSGYBMKJZ-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-069510
c1(CN(C)c2cc([C@H]3C[C@H](C3)O)nc(C)n2)c2CCCCCc2[nH]n1	EMOLS-id_55664797,MCULE-2284031636,ZINC22_244842340	341.451	UOUMKRSSTWUGMT-OKILXGFUSA-N	00001000100000100101100000000010000000000000000000000000	31-01-069511
c1(CN(C)c2ccnc(c2)C(=O)NC(C)C)c2CCCCCc2[nH]n1	PC-id_56903062,ZINC22_72147570,EMOLS-id_43138984,MCULE-4141126863	341.451	JDSZCKNAXRKSMU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069512
c1cncc(CO[C@@H]2CCCN(Cc3cc4n(n3)CCCNC4)C2)c1	ZINC22_72149857	341.451	IBPQQVDEGHCSGL-LJQANCHMSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069513
c1cncc(CO[C@H]2CCCN(Cc3cc4n(n3)CCCNC4)C2)c1	ZINC22_72149858	341.451	IBPQQVDEGHCSGL-IBGZPJMESA-N	00000000100010101101000000000010000000000000000000000000	31-01-069514
c1(CN(C)C(=O)CN(C)Cc2ccncc2)c2CCCCCc2[nH]n1	PC-id_91831363,EMOLS-id_55622858,MCULE-4433848424,ZINC22_252485506	341.451	GXCIGILCWSAJLZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069515
c1(C(O)C2CC2)cc2n(CCCN(Cc3ccnc(C(C)C)n3)C2)n1	MCULE-2588217293,EMOLS-id_50530215,PC-id_90648543	341.451	CAAXIUKGRBUOBJ-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069516
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)[nH]nc2CCC(C)Cc12	EMOLS-id_49867198,PC-id_77079006,MCULE-6933592466	341.451	CSIXJOYLHSOQLR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-069517
c1(C(=O)NCCCc2cccnc2)cc2n(CCCN(C(C)C)C2)n1	MCULE-3838898586,EMOLS-id_232804190,PC-id_50979971,ZINC22_65501072	341.451	AOADXQKSOADNJB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069518
CC1Cc2nnc(COCC3CC3)n2CCN1Cc1ncccc1C	EMOLS-id_313826597	341.451	TVUKQBGPTCTLFH-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069519
CC1CCc2c(C1C(=O)N1Cc3cnn(c3CC(C1)(C)C)C)c[nH]n2	EMOLS-id_319366165	341.451	SNPGXCLRZBPZOR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-069520
Cc1cccc(c1)C(CNC(=O)N1CCCn2c(C1)cc(n2)N)(C)C	EMOLS-id_319421953	341.451	PNPWBRDNCYKVGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069521
Cc1ccc(cc1)C(C(=O)NCCCc1nnc2n1CCCCC2)N	EMOLS-id_302427876,MCULE-2492550076,PC-id_120670060	341.451	NZQJQFWDKVBCII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069522
Cc1cc(C)c(c(c1)C)NC(=O)N(Cc1nnc2n1CCCCC2)C	MCULE-6975490314,EMOLS-id_319883134	341.451	JVRBEELSSHFZRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069523
Cc1cccc([C@H](C(=O)NCc2nnc3n2CCCCC3)N(C)C)c1	PC-id_95131086,ZINC22_65422727	341.451	BLHFXOKTKPXVEM-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069524
Cc1cccc([C@@H](C(=O)NCc2nnc3n2CCCCC3)N(C)C)c1	ZINC22_65422723,PC-id_95131084	341.451	BLHFXOKTKPXVEM-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069525
Cc1cccc(CN2Cc3nccn3C[C@@H](CN3CCOCC3)C2)n1	PC-id_97462941,ZINC22_96188505	341.451	CPAYJKKXVQLRFW-KRWDZBQOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069526
Cc1cccc(CN2Cc3nccn3C[C@H](CN3CCOCC3)C2)n1	ZINC22_96188504,PC-id_97462940	341.451	CPAYJKKXVQLRFW-QGZVFWFLSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069527
Cc1cccc(CN2CC(CN3CCOCC3)Cn3ccnc3C2)n1	EMOLS-id_44326341	341.451	CPAYJKKXVQLRFW-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069528
Cc1cccc(CNC(=O)CN[C@H](C)c2nnc3n2CCCCC3)c1	EMOLS-id_172311990,PC-id_122142537,MCULE-1230399764,ZINC22_408514078	341.451	WUILFAPEUWMJLD-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069529
Cc1cc(C)cc(NC(=O)NCCCc2nnc3n2CCCCC3)c1	MCULE-8036674771,ZINC22_67251595,PC-id_56824171,EMOLS-id_36944958	341.451	BNHGPSUEJVIAQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069530
Cc1cccc(C(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)n1	PC-id_97405441,ZINC22_96084618,EMOLS-id_46182245	341.451	CMLHRKOQTPMCMH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069531
Cc1ccc(CN(C)C(=O)NCc2nnc3n2CCCCC3)c(C)c1	ZINC22_32801951,PC-id_40034908,CoCoCo_4790753,MCULE-6981558496,EMOLS-id_25668169	341.451	GVFMBHMZYVPDDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069532
Cc1cc(CN2Cc3cccn3C[C@@H](C(=O)NCC3CC3)C2)n(C)n1	ZINC22_248070315	341.451	XHODMJNTTMZTFG-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-069533
Cc1cc(CN2Cc3cccn3C[C@H](C(=O)NCC3CC3)C2)n(C)n1	ZINC22_248070323	341.451	XHODMJNTTMZTFG-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-069534
Cc1cc(CN2CC(Cn3cccc3C2)C(=O)NCC2CC2)n(C)n1	EMOLS-id_50371101	341.451	XHODMJNTTMZTFG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-069535
Cc1cccnc1CN1CCn2c(COCC3CC3)nnc2C[C@@H]1C	ZINC22_585098294	341.451	TVUKQBGPTCTLFH-HNNXBMFYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069536
Cc1cccnc1CN1CCn2c(COCC3CC3)nnc2C[C@H]1C	ZINC22_585098301	341.451	TVUKQBGPTCTLFH-OAHLLOKOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069537
CC1CCn2c(C1)nc(c2)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_316666457	341.451	DJODCHNTPMYGQR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-069538
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nn(c(c1)C1CC1)C(C)(C)C	EMOLS-id_319764386	341.451	DYLUHQKYJONJGA-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-069539
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c(C)nn(c1C)CC1CC1	EMOLS-id_319648319	341.451	WRNVFWQAGBULCL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-069540
Cc1nc(cc(n1)N(C)Cc1n[nH]c2c1CCCCC2)C1CC(C1)O	PC-id_91781714	341.451	UOUMKRSSTWUGMT-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-069541
Cc1nc([C@H]2CCOC2)cc(N(C)Cc2n[nH]c3c2CCCCC3)n1	ZINC22_426383831	341.451	LRIQNLSGYBMKJZ-AWEZNQCLSA-N	00000010100000100101100000000010000000000000000000000000	31-01-069542
Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2n[nH]c3c2CCCCC3)n1	ZINC22_426383837	341.451	LRIQNLSGYBMKJZ-CQSZACIVSA-N	00000010100000100101100000000010000000000000000000000000	31-01-069543
CCc1ccc(cc1C)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319183670	341.451	HUQGYSMAUKWMPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069544
CCc1cccc(c1NC(=O)N(Cc1nnc2n1CCCCC2)C)C	EMOLS-id_318784886	341.451	DWFMIXLGQILKFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069545
CCc1cc(C)cc(c1NC(=O)N1CCCn2c(C1)cc(n2)N)CC	MCULE-7713606338,EMOLS-id_320045989	341.451	BVMDCMVMTJPULV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069546
CCc1c(cnn1C1CCCC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-4379515220,EMOLS-id_320094514	341.451	MMBKBIDJJHYYKQ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-069547
CC(Cc1ccc(cc1C)C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320040694,MCULE-9603433626	341.451	CWDPIQVIOCPFPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069548
CC(C(c1ccccc1)CNC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_320130946,MCULE-3416561779	341.451	KVUHTUURMMZKJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069549
CCCc1ccc(cc1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319645124	341.451	AULQSGQEVFUKAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069550
CC(C(c1ncccc1C)NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101716776	341.451	PNEMPSSDPCRYMT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069551
CC(C)c1nccc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)n1	ZINC22_219073421,PC-id_100032945	341.451	CAAXIUKGRBUOBJ-SFHVURJKSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069552
CC(C)c1nccc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)n1	ZINC22_219073494,PC-id_100032948	341.451	CAAXIUKGRBUOBJ-GOSISDBHSA-N	00100000100000100101000000000010000000000000000000000000	31-01-069553
CC(C)c1nnc2CCCCC(C(=O)N(C)CCc3ccccn3)n12	MCULE-5040585994,EMOLS-id_96055403	341.451	RFFJSQAZADGBFD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069554
CC(CCc1ccc(cc1)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319278311	341.451	PJPCSJWLAFVHDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069555
CCCC(c1ccccc1)NC(=O)NCc1nnc2n1CCCCC2	EMOLS-id_31894478,PC-id_51077496,MCULE-2290386899	341.451	ZCEXQCWHXHCCDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069556
CCCCCc1ccc(cc1)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318826149	341.451	WGJHYUZTWMLQLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069557
CCC[C@H](NC(=O)NCc1nnc2n1CCCCC2)c1ccccc1	ZINC22_45570456,PC-id_94055187	341.451	ZCEXQCWHXHCCDB-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069558
CCC[C@@H](NC(=O)NCc1nnc2n1CCCCC2)c1ccccc1	ZINC22_45570459,PC-id_94055188	341.451	ZCEXQCWHXHCCDB-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069559
CC(C)CNC(=O)CN1CCc2nnc(Cc3ccccc3)n2CC1	PC-id_91841127,MCULE-4517258072,EMOLS-id_55690775,ZINC22_240936900	341.451	SFPJZKVKWALHOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069560
CCC(C(=O)NCCc1nnc2n1CCCCC2)Nc1ccccc1	MCULE-8712793551,PC-id_53600447,EMOLS-id_36660244	341.451	AZDBMHPKJFVOQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069561
CC[C@H](Nc1ccccc1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_95322276,ZINC22_69739616	341.451	AZDBMHPKJFVOQT-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069562
CC[C@@H](Nc1ccccc1)C(=O)NCCc1nnc2n1CCCCC2	ZINC22_69739617,PC-id_95322277	341.451	AZDBMHPKJFVOQT-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069563
CCC(n1ncc(c1C1CC1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319078743	341.451	YDGFGHOPZNPKOZ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-069564
CCCN(c1ccccc1NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_318084788	341.451	YHNDAIHFKWMMLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069565
CC(C)Nc1cccc(CNC(=O)N2CCCc3c(cnn3C)C2)c1	EMOLS-id_316195887,MCULE-1903880523,ZINC22_888102618	341.451	RLXNIHLFLNVVRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069566
O=Cc1cc2-c(c1C=O)cc(c(cc2)Br)Br	PC-id_102160426	341.983	FTTSXEPIIHEYGS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-069754
CC(C)N(C)Cc1ncn2c1CN(C(=O)Nc1ccccc1)CCC2	PC-id_97519332,ZINC22_96259248,EMOLS-id_44370042	341.451	IQWYVSJKEBWSKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069567
CC(C)N(C)C(=O)CN1CCc2nnc(Cc3ccccc3)n2CC1	MCULE-3844669788,PC-id_118766065,ZINC22_299758331,EMOLS-id_68881261	341.451	OMGHIZHVVOHRPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069568
C[C@@H]1CCc2[nH]nc(C(=O)N(C)Cc3n[nH]c4c3CCCCC4)c2C1	PC-id_99926522,ZINC22_214986365	341.451	CSIXJOYLHSOQLR-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-069569
C[C@H]1CCc2[nH]nc(C(=O)N(C)Cc3n[nH]c4c3CCCCC4)c2C1	PC-id_99926524,ZINC22_214986415	341.451	CSIXJOYLHSOQLR-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-069570
C[C@@H](NC(=O)NCCCc1nnc2n1CCCCC2)c1ccccc1	MCULE-6729819060,PC-id_122157619,ZINC22_67359525,EMOLS-id_172159667	341.451	HOTIBAPXDXCYBH-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069571
CCn1nc(c(c1)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C)C1CC1	EMOLS-id_316669784	341.451	ROTDEQRWQMUUFH-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-069572
CCN(Cc1ccccc1)C(=O)CNCc1nnc2n1CCCCC2	EMOLS-id_36258903,ZINC22_69592138,PC-id_53529431,MCULE-3654969475	341.451	LMIWJJYRXZEUSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069573
CCN(CC)CC1CN(Cc2nccn2C1)C(=O)Cc1ccccn1	EMOLS-id_44326125	341.451	QLWIABBYEYOZPF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069574
CCN(CC)C[C@H]1CN(C(=O)Cc2ccccn2)Cc2nccn2C1	ZINC22_96188286,PC-id_97462729	341.451	QLWIABBYEYOZPF-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069575
CCN(CC)C[C@@H]1CN(C(=O)Cc2ccccn2)Cc2nccn2C1	ZINC22_96188287,PC-id_97462730	341.451	QLWIABBYEYOZPF-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069576
CCN(CC)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	MCULE-2240731134,ZINC22_67696368,PC-id_56706669,EMOLS-id_36432948	341.451	JZQIGEUBHZSXOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069577
CCN(C(=O)NCc1nnc2n1CCCCC2)Cc1cccc(c1)C	PC-id_86984570	341.451	LHVLTSXIYFMOHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069578
Cn1cccc1C(=O)N1CCc2ncc(CN3CCCCC3)n2CC1	ZINC22_96196892,EMOLS-id_44328717,PC-id_97467036	341.451	LZALIAJMMZEITI-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-069579
Cn1cccc1C(=O)NCC1CN(CC2CCC2)Cc2ccnn2C1	EMOLS-id_55741222	341.451	GGKXQXHWGFGROK-UHFFFAOYSA-N	00001000110000000101000000000010000000000000000000000000	31-01-069580
Cn1cccc1C(=O)NC[C@H]1CN(CC2CCC2)Cc2ccnn2C1	ZINC22_306127756	341.451	GGKXQXHWGFGROK-INIZCTEOSA-N	00001000110000000101000000000010000000000000000000000000	31-01-069581
Cn1cccc1C(=O)NC[C@@H]1CN(CC2CCC2)Cc2ccnn2C1	ZINC22_306127757	341.451	GGKXQXHWGFGROK-MRXNPFEDSA-N	00001000110000000101000000000010000000000000000000000000	31-01-069582
Cn1cc(CN2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)cn1	ZINC22_585099111	341.451	MSZICYWCUCPJHQ-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-069583
Cn1cc(CN2Cc3cccn3C[C@H](CC(=O)NCC3CC3)C2)cn1	ZINC22_585099112	341.451	MSZICYWCUCPJHQ-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-069584
Cn1cc(CN2CC(CC(=O)NCC3CC3)Cn3cccc3C2)cn1	EMOLS-id_313814819	341.451	MSZICYWCUCPJHQ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-069585
Cn1ncc2c1CCCN(C(=O)NCc1cnccc1C(C)(C)C)C2	MCULE-3339777442,EMOLS-id_101706860,ZINC22_334112055	341.451	CSLSVVOKQOLBQV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069586
Cn1nc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)C1CCCCC1	EMOLS-id_101674676	341.451	DNROPMXYAOMAJR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-069587
CN(C)CC(=O)N1Cc2cccn2C[C@H](CCNc2ccccn2)C1	ZINC22_585095605	341.451	ZTQXTIFFGGYTOP-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069588
CN(C)CC(=O)N1Cc2cccn2C[C@@H](CCNc2ccccn2)C1	ZINC22_585095606	341.451	ZTQXTIFFGGYTOP-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069589
CN(C)CC(=O)N1CC(CCNc2ccccn2)Cn2cccc2C1	EMOLS-id_313836577	341.451	ZTQXTIFFGGYTOP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069590
CN(C)C(C(=O)NCc1nnc2CCCCCn12)c1cccc(C)c1	MCULE-9746892976,EMOLS-id_32407220,PC-id_50968761	341.451	BLHFXOKTKPXVEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069591
CN(CCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1)C	EMOLS-id_319049274	341.451	BRNHLHWHDOLRKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069592
C(OC1CCCN(Cc2cc3CNCCCn3n2)C1)c1cccnc1	MCULE-4261257764,PC-id_56903958,EMOLS-id_232810553	341.451	IBPQQVDEGHCSGL-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069593
COc1ncccc1CN1CC(CN2CCCC2)Cn2c(C1)ncc2	PC-id_118740720	341.451	CZBLAZPTNMCHHY-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-069594
n1c(CN2CCC(CC2)C(O)c2ccccn2)cc2CNCCCn12	EMOLS-id_43077571,MCULE-8887909771,PC-id_56887083	341.451	UIJOFGWZJLEFOQ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069595
n1c(CNC(=O)CCc2c3CCCCc3[nH]n2)c2c(CCCCC2)[nH]1	ZINC22_828031983,EMOLS-id_232889386,MCULE-3969434373	341.451	CKFNIQDJLBROKQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-069596
NC(C(=O)NCCCc1nnc2n1CCCCC2)Cc1ccccc1	MCULE-8650371692,PC-id_119872041	341.451	HZXCJYXVLNJAQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069597
O1CCC(CC1)NCc1ncn2c1CN(CCC2)Cc1ccccn1	PC-id_97405479	341.451	YFJJZCLHHOKPMF-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069598
O1CCC(CC1)NCc1ncn2c1CN(CCC2)Cc1ccncc1	PC-id_97405478	341.451	FWNXJFAKCBESTE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069599
O1CCN(CC1)c1ccccc1CNCc1nnc2n1CCCCC2	MCULE-1380447305,PC-id_71933830,EMOLS-id_45646207	341.451	KPSGRSWZOHFBAP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-069600
O1CCN(CC1)Cc1ccccc1NCc1nnc2n1CCCCC2	EMOLS-id_318117204	341.451	CDCNRCKCBFHUHY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-069601
O=C(C1CCc2n(C1)cc(n2)C)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319725016	341.451	CZKCVVOERBBCQE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-069602
O=C(C1CCn2c(CC1)nnc2)NC(C(c1ccccc1)N(C)C)C	EMOLS-id_316727769	341.451	RHOQAXOFIIMSKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069603
O=C(c1ccnn1CC1CCC1)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_316428928,MCULE-7286893962	341.451	HSPHCIPHWKPWCC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-069604
O=C(c1cnn(c1)C1CCCC1)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319743863	341.451	QSCQAYZLBXVKIK-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-069605
O=C(c1cnn(c1C)C1CCCCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101674823	341.451	WNHIHACNTJSNCH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-069606
O=C(c1nn(c(c1)C1CC1)C(C)(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101670103	341.451	NLZTUGZAROXIBT-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-069607
O=C(c1nn(c(c1)C)C1CCCCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101674799	341.451	CXVKHLKJDNFVEJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-069608
O=C(C(c1ccccc1)(N)C)NCCCc1nnc2n1CCCCC2	PC-id_120596300	341.451	DIKNXSDKAQIHJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069609
O=C(C(C(c1ccccc1)N)C)NCCc1nnc2n1CCCCC2	MCULE-7677055890,EMOLS-id_301932632,PC-id_119839612	341.451	GBYDASYMDJDSNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069610
O=C(CC(c1ccccc1)N)NCCCc1nnc2n1CCCCC2	PC-id_119953574,MCULE-8812314050,EMOLS-id_302211590	341.451	OYPUGSPCCSWMPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069611
O=C(CCc1ccccc1N)NCCCc1nnc2n1CCCCC2	PC-id_120612865,MCULE-3315552455,EMOLS-id_302383384	341.451	IMAKUOUYJTTWGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069612
O[C@@H](c1ccccn1)C1CCN(Cc2cc3n(n2)CCCNC3)CC1	PC-id_95711142,ZINC22_72133186	341.451	UIJOFGWZJLEFOQ-LJQANCHMSA-N	00000000100010101101000000000010000000000000000000000000	31-01-069613
O[C@H](c1ccccn1)C1CCN(Cc2cc3n(n2)CCCNC3)CC1	ZINC22_72133187,PC-id_95711143	341.451	UIJOFGWZJLEFOQ-IBGZPJMESA-N	00000000100010101101000000000010000000000000000000000000	31-01-069614
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O=C(c1sc2c(c1)CCCCCC2)NC1(C)CCS(=O)(=O)C1	PC-id_51146123,EMOLS-id_110373181	341.489	SLEKRNLAJVXNMU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-069702
O=C(c1sc2c(c1)CCCCCC2)NC1CCS(=O)(=O)CC1	EMOLS-id_110360405	341.489	HJFZGIGBOYWZKG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-069703
O=C(c1sc2c(c1)CCCCCC2)NCC1CCCS1(=O)=O	EMOLS-id_100446909	341.489	ARAODNNJYNXILE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-069704
O=C(N1CCC(C1)S(=O)(=O)C)c1sc2c(c1)CCCCCC2	EMOLS-id_110250384	341.489	RUTZGEFTAIXXRV-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-069705
O=C(N1CCS(=O)(=O)C(C1)C)c1sc2c(c1)CCCCCC2	EMOLS-id_111077299	341.489	WEPHWQVNGONJPC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069706
O=C(N(C1CCS(=O)(=O)C1)C)c1sc2c(c1)CCCCCC2	PC-id_17410010,MCULE-7758354891,EMOLS-id_11932038	341.489	MHZXMDZXIJVTDJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-069707
O=C(NC[C@H]1CCCS(=O)(=O)C1)c1cc2c(s1)CCCCC2	ZINC22_287094061	341.489	WWASSNCWLNLVGF-GFCCVEGCSA-N	00000000100010000100000000000010000000000000000000000000	31-01-069708
O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1cc2c(s1)CCCCC2	ZINC22_287094067	341.489	WWASSNCWLNLVGF-LBPRGKRZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-069709
s1c2CCCCCc2cc1C(=O)NC(CCSC)C(=O)OC	PC-id_85007354	341.489	YJAGVXCJZICWPZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-069710
s1c2CCCCCc2cc1C(=O)N[C@H](CCSC)C(=O)OC	PC-id_9427078	341.489	YJAGVXCJZICWPZ-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-069711
s1c2CCCCCc2cc1C(=O)N[C@@H](CCSC)C(=O)OC	PC-id_9427079	341.489	YJAGVXCJZICWPZ-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-069712
O=C(Nc1sc2c(n1)CCCCCC2)NCC1(CC1)S(=O)C	EMOLS-id_101074504	341.492	AWPNOYBDCXDGTK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-069713
O=C(Nc1sc2c(n1)CCCCCC2)NCC1(O)CCSC1	EMOLS-id_111890418	341.492	PMXZRRLSYWSTML-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069714
C1CN(CCc2c1nc(s2)N)CC=Cc1c2-c(cccs2)cc1	SCHEMBL7285307,PC-id_88123762	341.494	CAWZIDYUJWXRFX-UHFFFAOYSA-N	00000010100010100101000001000010000000000000000000000000	31-01-069715
C1CN(CCc2c1nc(s2)N)CC=Cc1c2ccsc2ccc1	SCHEMBL7295978,PC-id_88124645	341.494	MLLIBFOKXGZXMD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069716
C1CN(CCc2c1nc(s2)N)CC=Cc1c2-c(cscc2)cc1	PC-id_88124334,SCHEMBL7292405	341.494	WVIJKRBFEJKDIR-UHFFFAOYSA-N	00000010100010100101000001000010000000000000000000000000	31-01-069717
C1CN(CCc2c1nc(s2)N)CC=Cc1cc2c(cc1)ccs2	PC-id_88123806,SCHEMBL7285669	341.494	FIJCSBLYAWJSMU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069718
C1CN(CCc2c1nc(s2)N)CC=Cc1cc2c(cc1)scc2	SCHEMBL7292410,PC-id_88124337	341.494	REBDNMJQQWZWFL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069719
C1CN(CCc2c1nc(s2)N)CC=Cc1cc2ccccc2s1	PC-id_88124558,SCHEMBL7294988	341.494	WNHONEDDIZVGPT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069720
C1CN(CCc2c1nc(s2)N)CC=Cc1ccc2-c1cccs2	SCHEMBL7295974,PC-id_88124644	341.494	NOGWICBHELGPAI-UHFFFAOYSA-N	00000010100010100101000001000010000000000000000000000000	31-01-069721
C1CN(CCc2c1nc(s2)N)CC=Cc1ccc2-c1cscc2	PC-id_88123805,SCHEMBL7285662	341.494	WFFARUXYDVEKBB-UHFFFAOYSA-N	00000010100010100101000001000010000000000000000000000000	31-01-069722
C1CN(CCc2c1nc(s2)N)CC=Cc1cccc2c1scc2	SCHEMBL7285312,PC-id_88123763	341.494	RZMGBOVGDMUZLD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069723
Nc1nc2c(s1)CCN(CC2)C/C=C/c1scc2c1cccc2	SCHEMBL7294971,PC-id_19985822	341.494	NHNXKLYDJDYXCY-ZZXKWVIFSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069724
s1c2CCN(CCc2nc1N)CC=Cc1scc2c1cccc2	PC-id_73668871	341.494	NHNXKLYDJDYXCY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069725
CC(C(CS(=O)(=O)N1Cc2cnn(c2CC(C1)(C)C)C)(C)C)C	EMOLS-id_319603276	341.512	HAHCNSPFNLQHRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069726
CN(CCc1ccccc1)CCCN1CCCc2c(C1=N)ccs2	PC-id_141859810	341.513	RBMYLYNVZIMGMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069727
s1c2CCCCCc2cc1C(=O)NNC(=S)NCC[NH+](C)C	PC-id_8726797	341.515	XQKPQAPMWDNQLN-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-069728
CCCC1(CCC1)CC(c1nc2c(o1)C=CC(C=C2)(C)C(C)C)(C)C	PC-id_142555405	341.53	WRCXHDJEMCRCMD-UHFFFAOYSA-N	00001000100000000111000000000010000000000000000000000000	31-01-069729
CN1c2cc(Cl)sc2CCC(I)C1=O	MCULE-9240740011,SCHEMBL19224489,EMOLS-id_317495823	341.596	YHEKCOUOFVODTO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-069730
ClC1=CCN=c2c(=C1)[nH]c(n2)OC(C(F)(F)F)c1ccccc1	SCHEMBL21122572,PC-id_138741471	341.716	WTJFXUSLPRQNMV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069731
O=C(c1ccn(c2ccccc2Cl)n1)N1CCCc2occc2C1	EMOLS-id_177271122,MCULE-9113050786,ZINC22_585083584	341.792	JDLXIWDMXIVGGY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-069732
C1CC1N=C1C=C(NCc2c(cnn12)C=O)Nc1ccc(cc1)Cl	PC-id_137252595	341.795	GZGQNZYZVJEOGT-UHFFFAOYSA-N	00100000100000110111000000000010000000000000000000000000	31-01-069733
NNC(=O)c1nc(CC)c(nc1Nc1cc2-c(c1)ccccc2)Cl	SCHEMBL17340283,PC-id_118579819	341.795	RDVMHBRESSPMBQ-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-069734
O=Cc1cnn2c1CN=C(C=C2NC1CC1)Nc1ccc(cc1)Cl	SCHEMBL19526740	341.795	FMMFUWGOEZNATD-UHFFFAOYSA-N	00100000100000110111000000000010000000000000000000000000	31-01-069735
COc1ccc(cc1Cl)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99299419	341.81	XCNSDWLKPCGFKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069736
COc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cco2)Cl	EMOLS-id_99301813	341.81	OAGPCPNFIWPYRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069737
CC(c1nnc2n1CCS(=O)(=O)CC2)Oc1cc(ccc1)Cl	PC-id_136557104,EMOLS-id_316949324,MCULE-1444829405	341.813	UJAJACRJGNHCSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069738
C[C@H](Oc1cccc(Cl)c1)c1nnc2n1CCS(=O)(=O)CC2	ZINC22_630952026	341.813	UJAJACRJGNHCSA-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-069739
C[C@@H](Oc1cccc(Cl)c1)c1nnc2n1CCS(=O)(=O)CC2	ZINC22_630952027	341.813	UJAJACRJGNHCSA-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069740
Cc1ccc(c(c1)Cl)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026614	341.816	ZTZQOBOSAOJTDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069741
Cc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_102028499	341.816	BYUYVISOSZCTSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069742
Cc1cccc(c1S(=O)(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_102028685	341.816	VSBOTRNOFZAJSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069743
Clc1cc(ccc1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026629	341.816	FYOCNIIOSITNBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069744
Clc1ccc(c(c1)C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026644	341.816	LAAMSAMOPUVNTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069745
Clc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102026626	341.816	IIBNNLINJGZIJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069746
Clc1cnc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)N	EMOLS-id_101948640	341.816	BLNROAQVKYTPRY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069747
CN(Cc1nnc2n1CCCCC2)C(=O)c1snc(O)c1Cl	ZINC22_622290923,EMOLS-id_316953608,MCULE-9133961018	341.816	VHLAJMQIPWCKBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069748
c12c(OCC)cccc(=O)c1c(n(Cc1ccc(cc1)Cl)c2C)C	PC-id_686807,BAS-04212423,CoCoCo_314860,MCULE-1411984503,BindingDB_PC-id_686807,EMOLS-id_1446631,ZINC22_54455,BindingDB-id_404289	341.831	PTQJXFLYSQXYEP-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-069749
Clc1n2c(CNCCC2)c(n1)C(=O)NC(C(C)(C)C)C(=O)NC	PC-id_66931731,SCHEMBL1174099	341.836	FWPIWQDLDGUJFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069750
Clc1n2c(CNCCC2)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	PC-id_57635119,SCHEMBL1174097	341.836	FWPIWQDLDGUJFJ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069751
Clc1sc(C(=O)C(Sc2n3CCCCCc3nn2)C)cc1	PC-id_43802373	341.879	IWMHYPFHPCEDQT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069752
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccc(s1)Cl	PC-id_112825068	341.879	JUCJNUFKJLBPDH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069753
BrCC1(CBr)COc2cscc2OC1	SCHEMBL181627,EMOLS-id_93433476,PC-id_59591622,MCULE-5815538230	342.047	JSDPDQPADLMIHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069757
I[n+]1n[se]c2c1CCCCCC2	SPECS-id_AS-970/QB07152	342.059	LYPOPZMZFNWGCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069758
CCN1CCCCC2=C1SC(=C2)C(=O)N[C@H]3CCS(=O)(=O)C3	PC-id_164641973	342.107	WYOBIWBXOHXSNM-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-069759
C1CCC2=NN=C(N2CC1)CNC(=O)C3=CC=C(S3)C4=CC=NN4	PC-id_154754593,EMOLS-id_317285838,MCULE-2222438774	342.126	BCALLMKPFPLJEX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-069760
C1CCC2=C(CC1)SC(=C2)C(=O)N(CCC(=O)N)C3=CC=CC=C3	PC-id_154755196,MCULE-1342542292,EMOLS-id_257837130	342.14	QMYYANVOFPNXNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069761
C1CC(C1)CN2C=C(C=N2)CNC(=O)C3=COC4=C3C(=O)NCCC4	PC-id_154770723,EMOLS-id_317388552,MCULE-9180854991	342.169	FIBAWNDBLNFTBS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-069762
Clc1cc(O)c(c(c1)Cl)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102180993	342.181	GGKMUSQJFRTVNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069763
CC1=Cc2c(C(=O)C(C1=O)C/C=C/CCCCCC(=O)C)n(cn2)C	PC-id_163960247	342.194	SGVCOSJOBUIPMK-VQHVLOKHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-069764
C1COCCC1C(C2=CC=CC=C2)NCC3=NN=C4N3CCOCC4	PC-id_154763347,MCULE-8989496555,EMOLS-id_317261822	342.206	VODPGPUZODBZTN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-069765
BrCC(=O)NC1=CC=c2c(=CC1)cc(s2)C(=O)OC	PC-id_143296567	342.208	CTRQEEPZWUEPRV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-069766
Brc1ccc(s1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102169976	342.215	XJYJEGHFSNXGCB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069767
Brc1c(=O)[nH]cnc1Sc1nnc2n1CCCCC2	PC-id_114791010	342.215	AJRNMYMJDMMIIF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-069768
Brc1csc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102162676	342.215	OUYLLILGYYUZSB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069769
O=C(c1ccsc1Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102175448	342.215	BWPRTTAUSHQNPE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069770
O=C(c1cscc1Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102176549	342.215	NGKSPTXNUKVCEZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069771
O=C(c1sccc1Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102164530	342.215	UXPYQCUCJQFUER-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069772
Cn1c(C(=O)NCc2nnc3n2CCCCC3)cc(Cl)c1Cl	PC-id_45814370,EMOLS-id_31908490,ZINC22_40511960,CoCoCo_4844400,MCULE-9527926127	342.224	KUGJMAQXPOKSNV-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-069773
CN(Cc1nnc2n1CCOCC2)Cc1cncc(c1Cl)Cl	EMOLS-id_318829451	342.224	OFXINFHMIWRGHU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069774
CN(Cc1nnc2n1CCOCC2)Cc1nccc(c1Cl)Cl	EMOLS-id_319430582	342.224	ZHUOSIKFBARERC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069775
COc1cc(Cl)c(cc1Cl)CNC1CCn2c(CC1)nnn2	EMOLS-id_318315195,MCULE-5102089012	342.224	MJTQZAIVOXCHTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069776
COc1c(CNC2CCn3c(CC2)nnn3)cc(cc1Cl)Cl	MCULE-1977392023,EMOLS-id_318151576	342.224	LBEOIVZEXDZLDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069777
Clc1nc(Cl)nc(c1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_108367601	342.244	MCHUNXDBGXWKDS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-069778
O=C(c1cc2c(s1)CCCCC2)Nc1c(Cl)ncnc1Cl	PC-id_108377177	342.244	DREBDPPXWCAEDY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-069779
O=C(c1cc2c(s1)CCCCC2)Nc1ncnc(c1Cl)Cl	PC-id_108182976	342.244	VZBDFIZNBJZBBM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-069780
Cn1nnc(c1C(c1cc2c(s1)CCCCC2)O)Br	PC-id_106465468	342.255	SNUHFGSVFSCQCK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069781
Cc1sc(c(c1)Br)CNC1CCn2c(CC1)nnn2	EMOLS-id_102002619	342.258	WNEKINNXCXKEEG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-069782
Cn1c(c(cn1)NC(=O)c1coc2c1C(=O)NCCC2)C(F)(F)F	PC-id_136570447	342.273	TYADSCSQUXSWJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069783
Brc1scc(c1)C[NH2+]Cc1nnc2n1CCCCC2	PC-id_51943199,GD-id_ZINC40091383	342.278	CHWGRCCRCWVPIK-UHFFFAOYSA-O	00000000100100000101000000000010000000000000000000000000	31-01-069784
CCN1CCc2c(C(C1)Oc1ccc(c(c1)Cl)Cl)ccs2	SCHEMBL2840801,PC-id_68411711	342.283	XYRHGKAJVHUTGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069785
CCN1CCc2c(C(C1)Oc1ccc(c(c1)Cl)Cl)scc2	PC-id_68412123,SCHEMBL2841690	342.283	IPRZIUGVRAVHDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069786
Clc1cc(OC2CCN(Cc3c2sc(c3)C)C)ccc1Cl	PC-id_68410913,SCHEMBL2838984	342.283	VSJRWZOHKRGNGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069787
Clc1cc(OC2CCN(Cc3sc(cc23)C)C)ccc1Cl	SCHEMBL2838989,PC-id_68410915	342.283	CFFPRXUQPABOBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069788
Clc1c(OC2CCN(Cc3sc(cc23)C)C)cccc1Cl	PC-id_25027795,SCHEMBL2840963	342.283	SOAIBNMVVQRVDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069789
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)F)C(F)(F)F	MCULE-5206801556,EMOLS-id_257982896	342.291	GJEXSBYKEBGGTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069790
BrC1CCCN(C1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80660775	342.294	FBQVKJFBNPDDRX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-069791
BrC1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80662976	342.294	CRHYLLBMTAFSMI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-069792
BrC1C(NC(=O)c2sc3c(CCCCC3)c2)CCC1	PC-id_80662325	342.294	ZBMRTMQNIWMPKN-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-069793
BrC(C1CC1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_113275931	342.294	YSYCOWWUKLTRPT-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-069794
BrCC1(CCC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_113509678	342.294	CLFJIXDQZPMAFK-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-069795
BrCC1CCN(C1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80667392	342.294	PKTVHOCMYADSBR-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-069796
BrCC1(CNC(=O)c2cc3c(s2)CCCCC3)CC1	PC-id_113313592	342.294	NKNQPIZOLWCINX-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-069797
BrCC1N(CCC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80677971	342.294	JHILCUFFXLMTNO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-069798
BrCCN(C1CC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80677936	342.294	DHUWVYSKBZFWNH-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-069799
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(cc(cc1)C)C	PC-id_7600180	342.455	BEHCJRWCBMOSPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070669
N#Cc1ccc(cc1)NC(=O)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_71571172,SCHEMBL14965906	342.309	XLBXXIGDHKCFLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069800
Brc1cscc1C(c1cc2c(s1)CCCCC2)N	PC-id_113670842	342.318	OVWFGWJBBLRWQK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-069801
Brc1c(scc1)C(N)c1sc2c(CCCCC2)c1	PC-id_80534745	342.318	NWORICJFDCIJLJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-069802
Brc1sc(C(N)c2sc3c(CCCCC3)c2)cc1	PC-id_61102247	342.318	XAQMZYULZMJDHJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-069803
CC(c1nnc([nH]1)C(F)(F)F)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_319731948	342.32	OBMKJLWNWBHOML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069804
O=C(c1[nH]ncc1C(F)(F)F)NCCc1nnc2n1CCCCC2	EMOLS-id_320036608,MCULE-6951739663	342.32	NJLGZRDSNMJQSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069805
O=C(c1n[nH]c2c1CCCCC2)NC(c1nnc([nH]1)C(F)(F)F)C	MCULE-6026358717,EMOLS-id_320095604	342.32	KYHVSJWHSHVGFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069806
O=C(OCc1nc2cccc(F)c2[nH]1)c1cc2n(c1)CCCNC2=O	ZINC22_2325876203	342.324	MTWBIINNXQUDIQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069807
Cn1cnc(c1)S(=O)(=O)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14966092,PC-id_71570889	342.331	FVMNFKQIBCYQMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069808
Cc1nc2c(s1)N(CCCC2)C(=O)c1cc(F)c(c(c1F)O)F	EMOLS-id_319978418,MCULE-8391757791	342.336	HKMFKZGJFYQMCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069809
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc(nc1)C(F)(F)F	MCULE-6846015831,EMOLS-id_319945545	342.339	OHWYABGZOUZHGO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-069810
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)[C@H]1NCC(F)(F)C1	PC-id_56883907,ZINC22_72419309,EMOLS-id_43064670,MCULE-6919620155	342.341	ZZCKZJFGJSGOPL-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069811
FC1(F)CC(NC1)C(=O)N1CCCn2nc(cc2C1)CCC(=O)O	PC-id_76423243	342.341	ZZCKZJFGJSGOPL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069812
O1C[C@@H](OC(=O)c2oc(C(=O)O[C@H](COCCOCC1)C)cc2)C	PC-id_12778181	342.341	CKIUMRLHIQIUKV-RYUDHWBXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069813
O1CC(OC(=O)c2oc(C(=O)OC(COCCOCC1)C)cc2)C	PC-id_12778180	342.341	CKIUMRLHIQIUKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069814
C1CCc2nnc(n2CC1)C(C#N)C(=O)C=Cc1c(cccc1F)F	MCULE-5993348515,EMOLS-id_300887530,PC-id_91942482	342.343	YVEWBLBZXLUAOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069815
Fc1c(/C=C/C(=O)C(c2n3CCCCCc3nn2)C#N)c(F)ccc1	PC-id_75404340	342.343	YVEWBLBZXLUAOH-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069816
N#CC1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777893,PC-id_121358825	342.343	WMWXNFZSSVXOPH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069817
N#CC1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777896,PC-id_121358828	342.343	CFZHLIBZWHARJJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069818
N#C[C@H](C(=O)/C=C/c1c(F)cccc1F)c1nnc2n1CCCCC2	ZINC22_54726933	342.343	YVEWBLBZXLUAOH-MMQHEFTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069819
N#C[C@@H](C(=O)/C=C/c1c(F)cccc1F)c1nnc2n1CCCCC2	ZINC22_54726935	342.343	YVEWBLBZXLUAOH-XEHSLEBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069820
c12C(=O)N(CCCn1nc(C(=O)O)c2)CC(=O)N(C)c1ccccc1	EMOLS-id_48653939,ZINC22_96025131,SPECS-id_AT-687/NB06935,PC-id_75528282,MCULE-3190654372	342.349	JFJFOHUPDXVMDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069821
c1(C(=O)O)cc2n(CCCN(C(=O)CNC(=O)c3ccccc3)C2)n1	PC-id_50969763,MCULE-2735004207,ZINC22_65426561,EMOLS-id_32409088	342.349	FYKOTXQVYMHBCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069822
O(c1c(CCn2c3NC=NCC(=O)c3nc2)cc(cc1)C(=O)OC)C	PC-id_10688658	342.349	VKIRNSAPAIYDTO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069823
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)O)Cc1ccccc1	PC-id_46049195	342.349	QGULOHHRGWHTRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069824
O=C(c1ccno1)N1CCCn2cnc(COCc3ccco3)c2C1	ZINC22_96085070,PC-id_97405887,EMOLS-id_46183161	342.349	CKGXQBOYGSFYEC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-069825
C1Cc2n[nH]c(=O)n2CCC1NC(=O)c1ccc(o1)Cn1ccnc1	EMOLS-id_50586025,MCULE-9845634835,PC-id_91910809	342.353	ACGSCSNCIMBOTD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-069826
c1(cnc2n([nH]c(=O)c2)c1C)C(=O)N1CCCn2nc(CO)cc2C1	EMOLS-id_55612625,MCULE-5473857552,PC-id_91763504	342.353	PAGWCJDQZPXFCD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069827
C1CN(Cc2cc(nn2C1)C(CO)O)C(=O)c1cccn2c1nnc2	MCULE-2460985690,EMOLS-id_55617635,PC-id_91765307	342.353	XOHTZDIFPSOPNB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069828
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)c3cnco3)C2)n1	PC-id_91780337,MCULE-9327106251,EMOLS-id_55660857	342.353	RSMCRABSPPCZPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069829
c1(C(=O)N2CCCn3c(cc(n3)C(CO)O)C2)cc2n(cccn2)n1	MCULE-8351593845,PC-id_91777593,EMOLS-id_55652866	342.353	SUKKRHJDKINXJI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069830
Cc1cc2ncc(c(=O)n2[nH]1)C(=O)N1CCCn2c(cc(n2)CO)C1	PC-id_91780644	342.353	ZJNVHXREDQRPKH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069831
Cc1cc2[nH]cc(C(=O)N3CCCn4nc(CO)cc4C3)c(=O)n2n1	MCULE-4449740075,EMOLS-id_55661779	342.353	NRIAGVOCBCYERN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069832
CC1C(=Nn2c(nnc2NC1=O)CCCc1ccc(cc1)[N+](=O)[O-])C	PC-id_135843137	342.353	LJHMQBNIMVBRIY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069833
CCOc1oc2c(n1)cc(cc2)NC(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319384868	342.353	CEIABXSKNFTULL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069834
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cnco1)C2	PC-id_100062534,ZINC22_220649190	342.353	RSMCRABSPPCZPR-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069835
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cnco1)C2	ZINC22_220649120,PC-id_100062532	342.353	RSMCRABSPPCZPR-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069836
n12CCCCCc1nnc2CNC(=O)Nc1ccc2c(c1)oc(=O)[nH]2	PC-id_72876621,ZINC22_96141670,EMOLS-id_49155894,MCULE-5033964823	342.353	TVNDBFWWQWZOET-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069837
n1c(C(CO)O)cc2CN(CCCn12)C(=O)c1ccn2c(nnc2)c1	PC-id_91776118,MCULE-3312903260,EMOLS-id_55648441	342.353	WIBUCYQCFXVEFR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069838
O=C(c1c(C)oc2c1c(=O)[nH]cn2)NCc1nnc2n1CCCCC2	EMOLS-id_98509160	342.353	HVSAOIULJHIPEC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069839
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1cccn2c1nnc2)O	PC-id_99972363	342.353	XOHTZDIFPSOPNB-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069840
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1cccn2c1nnc2)O	PC-id_99972365	342.353	XOHTZDIFPSOPNB-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069841
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccn2c(c1)nnc2)O	PC-id_99974515	342.353	WIBUCYQCFXVEFR-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069842
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccn2c(c1)nnc2)O	PC-id_99974516	342.353	WIBUCYQCFXVEFR-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069843
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1nn2c(c1)nccc2)O	PC-id_99974759	342.353	SUKKRHJDKINXJI-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069844
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1nn2c(c1)nccc2)O	PC-id_99974760	342.353	SUKKRHJDKINXJI-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069845
Cc1nocc1C(=O)N1CCCn2nnc(Cn3nncc3C)c2C1	EMOLS-id_313732568,ZINC22_1565555075	342.356	QJTLCASKBSIJPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069846
Cc1noc(CC(=O)N2CCc3nnc(Cn4cccn4)n3CC2)n1	ZINC22_2055713507,EMOLS-id_313725659	342.356	YBFSRVKUCQAUSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069847
Cc1cnnn1Cc1nnc2CN(CCCn12)C(=O)c1ncn(C)n1	EMOLS-id_313732819,ZINC22_1565553449	342.359	ZCKXMAOREIGLFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069848
Cc1cnnn1Cc1nnn2c1CN(C(=O)c1ncn(C)n1)CCC2	ZINC22_1565555561,EMOLS-id_313729754	342.359	CSNURKZIGURDGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069849
Fc1ccc(cc1)N(C(=O)c1coc2c1C(=O)NCCC2)C1CCC1	EMOLS-id_319226203	342.364	KNAUAPCUKWOPMC-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-069850
FC(Oc1cc(nn1C)C(=O)N1CCCCc2c1sc(n2)C)F	EMOLS-id_319957421,MCULE-7798917580	342.364	HGHIMIYGDHARFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069851
O=C(N1CCCCc2c1sc(n2)C)CCc1nnc(o1)C(F)F	EMOLS-id_319200759	342.364	CYHJHLYSGQIDBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-069852
O=S(=O)(NCc1nnc2n1CCCCC2)c1ccc(F)cc1F	EMOLS-id_18920328,ZINC22_13004665,PC-id_25663766,CoCoCo_3853172,MCULE-6233822797	342.364	GWQUQJMPFBTUJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069853
O=S(=O)(NCc1nnc2n1CCCCC2)c1c(F)cccc1F	CoCoCo_3853174,EMOLS-id_31847525,ZINC22_40461273,MCULE-2836297053,PC-id_45795100	342.364	DSLTVZGSTJIFSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069854
Cc1c(C(=O)NCc2nnc3n2CCCCC3)oc2c(F)cccc12	EMOLS-id_30674572,PC-id_47014564,ZINC22_48277039,MCULE-1278306036	342.367	YGPMFPAJPIPEIX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069855
CNC(=O)C1=CN(CC(c2c1cn[nH]2)(C)C)C(=O)c1ccc(cc1)F	SCHEMBL17777871,PC-id_121358803	342.367	INSFTEOFDIKFFS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069856
CNC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(cc1)F	SCHEMBL17777866,PC-id_121358798	342.367	JEEPDBLGOVZYRE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069857
FC1(CC1)C(=O)N1CCCn2ncc(C(=O)Nc3ccccc3)c2C1	EMOLS-id_313763278,ZINC22_1565545596	342.367	LJWXCRDTXQEMPS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069858
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(ccc(c1)C)C	PC-id_9301197	342.455	HBOISSMOANJIJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070670
Fc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC1CC1	PC-id_53007961	342.367	DSJBRKPYOONWME-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069859
Fc1cccc(c1)C(=O)N1CCCn2ncc(C(=O)NC3CC3)c2C1	ZINC22_585110871,EMOLS-id_313765327	342.367	RSZXAYZUSBTQGR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069860
Fc1ccc(cc1)C(=O)N1C=C(C(=O)N)c2c(C(C1)(C)C)c([nH]n2)C	PC-id_121358793,SCHEMBL17777861	342.367	AHPRKZSUMNRNDC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069861
Fc1ccc(cc1)C(=O)N1C=C(C(=O)N)c2c(C(C1)(C)C)[nH]nc2C	SCHEMBL17777851,PC-id_121358783	342.367	HUWQLHSEVOMNSM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069862
Fc1ccc(CN2CCCn3nc(C(=O)NC4CC4)cc3C2=O)cc1	PC-id_50797880	342.367	PAMKABMSYJNFAV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-069863
Fc1cccnc1OCC1CCn2nccc2CN1Cc1ccco1	EMOLS-id_313819938	342.367	ZHCPJCHTCYVFLK-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-069864
Fc1cccnc1OCC1CCn2nccc2CN1Cc1ccoc1	EMOLS-id_313819682	342.367	OWCHMHUAUMKPBN-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-069865
Fc1cccnc1OC[C@@H]1CCn2nccc2CN1Cc1ccco1	ZINC22_585098543	342.367	ZHCPJCHTCYVFLK-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-069866
Fc1cccnc1OC[C@H]1CCn2nccc2CN1Cc1ccco1	ZINC22_585098545	342.367	ZHCPJCHTCYVFLK-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-069867
Fc1cccnc1OC[C@@H]1CCn2nccc2CN1Cc1ccoc1	ZINC22_585097648	342.367	OWCHMHUAUMKPBN-INIZCTEOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-069868
Fc1cccnc1OC[C@H]1CCn2nccc2CN1Cc1ccoc1	ZINC22_585097650	342.367	OWCHMHUAUMKPBN-MRXNPFEDSA-N	00000000101000101101000000000010000000000000000000000000	31-01-069869
NC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)C)F	SCHEMBL19702782	342.367	TZRDIEBCUUEZJV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069870
O=C1Nc2c(C1CC(=O)N1CCCc3c(C1)cnn3C)cc(cc2)F	MCULE-9580616763,EMOLS-id_320205820	342.367	NPTWTMVPFWPQKL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069871
O=C(Cn1c(=O)sc2c1CC=CC=C2)Nc1ccccc1C(=O)O	SCHEMBL19334497	342.369	YAFXDFMRNQYIMS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069872
CCn1c(NC(=O)C2CCn3c(CC2)nnc3)nc2c1ccc(c2)F	MCULE-2909969817,EMOLS-id_320330632	342.371	JQMGLWKNUKEGPM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069873
CN(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(F)c(C#N)c1	MCULE-5994441027,EMOLS-id_317037071,ZINC22_952995764	342.371	YCYABROGODRZBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069874
CN(C(=O)c1ccc2c(c1F)nc[nH]2)Cc1nnc2n1CCCCC2	MCULE-9386151400,EMOLS-id_319912678	342.371	RLTOECMVTDBFOQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069875
Fc1ccc(c2n[nH]cc2CNCc2nnc3n2CCOCC3)cc1	MCULE-3056702164,EMOLS-id_320295629,ZINC22_1775961064	342.371	DLXXWTHDDOSLLL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-069876
Fc1cccnc1OCC1CCn2nccc2CN1Cc1cn[nH]c1	EMOLS-id_313819170	342.371	VDGKYTXKWSNMMZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069877
Fc1cccnc1OC[C@@H]1CCn2nccc2CN1Cc1cn[nH]c1	ZINC22_585098152	342.371	VDGKYTXKWSNMMZ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069878
Fc1cccnc1OC[C@H]1CCn2nccc2CN1Cc1cn[nH]c1	ZINC22_585098153	342.371	VDGKYTXKWSNMMZ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-069879
Fc1cc(c(NC(=O)NCCc2n3CCCCCc3nn2)cc1)C#N	PC-id_78894430	342.371	WLSQVYVBWNKWOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069880
N#Cc1ccc(c(c1)NC(=O)N(Cc1nnc2n1CCCCC2)C)F	EMOLS-id_319529577	342.371	CKJJLVKWIUVZLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069881
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C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Cc1noc2ccccc12	PC-id_90625278	342.372	UNHOVJYOLOJXHI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-069886
c1(NC(=O)c2nccnc2C(=O)O)sc2c(CCCCC2)c1C#N	ZINC22_71283610,MCULE-1315059817,PC-id_53371226,EMOLS-id_36510384,STOCK7S-20235	342.372	PGLDLMIINJJHPK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-069887
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Cn1ncc2c1CCCN(C(=O)N[C@@H]1CCCC[C@H]1OC(F)F)C2	ZINC22_566548753,MCULE-5445835558,EMOLS-id_316202786	342.384	VYLHIXJQCFMWRO-TZMCWYRMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069891
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COCCC(=O)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1	ZINC22_585096767	342.384	COGGXKARLQPKEI-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-069894
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FC(CN1CCC(CC1)CC(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_319718224	342.387	AMSTXVYOCMQXKU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069896
FC(CN1CCC(CC1)NC(=O)N1CCCn2c(C1)cc(n2)N)F	EMOLS-id_319217575	342.387	GXRDKXBRIPIZMM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069897
FC(CN1CCN(CC1)C(=O)NCc1nnc2n1CCCCC2)F	EMOLS-id_110375705	342.387	ZYCQJVNQAXETJV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-069898
o1c(C(=O)c2c3-c(c(CCC)c2)ccccc3)cc2c1ccc(c2)C=O	PC-id_10980794	342.387	YFQWCYHYZHJQKH-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-069899
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Cc1cc(C)cc(c1)C(C(=O)O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_72634205,PC-id_121962649,MCULE-5091402236	342.389	ZVWWTGHZBGANRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069901
CCC(c1ccccc1)(C(=O)O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_72326356,PC-id_120519064,MCULE-6022794379	342.389	GUFDANSFLYUJDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069902
CC(C)(C)Oc1cccc(c1)NC(=O)c1coc2c1C(=O)NCCC2	PC-id_136567215	342.389	MJMUFZRRHDCEHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-069903
CC(C(=O)O)Cc1ccc(cc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_57662431,PC-id_120541167,MCULE-3591831280	342.389	XEJLOFIBCICJSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069904
CC(N(C(=O)c1noc2c1CCCCC2)Cc1ccccc1)C(=O)O	MCULE-7899804537,PC-id_121947361,EMOLS-id_72603691	342.389	SALSTPYXDFSHMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069905
CCOC1CN(Cc2cccn2C1)C(=O)Cc1ccc2OCOc2c1	EMOLS-id_50007958	342.389	NNBVAWLGGJSFQL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069906
CCO[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_253384049	342.389	NNBVAWLGGJSFQL-INIZCTEOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069907
CCO[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_253384050	342.389	NNBVAWLGGJSFQL-MRXNPFEDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069908
CCOC(=O)c1cc(c2n1CCCCN2)C(=O)c1ccc(cc1)OC	PC-id_102368529	342.389	QOZKXJBZXVQLKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069909
CC(=O)NCC(c1ccccc1)OC(=O)c1noc2c1CCCCC2	PC-id_86803324,EMOLS-id_49967006,MCULE-4750891539	342.389	ZMHMCBWPWDXWRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069910
CC(=O)NC[C@H](OC(=O)c1noc2c1CCCCC2)c1ccccc1	ZINC22_97103248,PC-id_97820583	342.389	ZMHMCBWPWDXWRZ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069911
CC(=O)NC[C@@H](OC(=O)c1noc2c1CCCCC2)c1ccccc1	ZINC22_97103249,PC-id_97820584	342.389	ZMHMCBWPWDXWRZ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069912
COCCC1CN(Cc2cccn2C1)C(=O)c1ccc2OCOc2c1	EMOLS-id_313836585	342.389	ULFONRVFFVUTJS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069913
COCC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_585095503	342.389	ULFONRVFFVUTJS-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069914
COCC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_585095504	342.389	ULFONRVFFVUTJS-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069915
Oc1cccc(c1)C1OCCN(C1)C(=O)c1noc2c1CCCCC2	MCULE-3632384608,EMOLS-id_101050480	342.389	CPQUIXFORXJJGE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-069916
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OC(=O)C(c1ccc(c(c1)C)C)NC(=O)c1noc2c1CCCCC2	PC-id_121885446,EMOLS-id_72483004,MCULE-2863053758	342.389	WZAGEGAQOCXXEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069920
OC(=O)C(Cc1ccccc1)CNC(=O)c1noc2c1CCCCC2	PC-id_120525146,MCULE-5214949524,EMOLS-id_57615011	342.389	SPOKDRIDRJFNPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069921
OC(=O)CC(c1ccccc1C)NC(=O)c1noc2c1CCCCC2	PC-id_120532095,MCULE-2129389846,EMOLS-id_57634297	342.389	ZKENRXFNOYVMQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069922
OC(=O)C(C(c1ccccc1)NC(=O)c1noc2c1CCCCC2)C	MCULE-5054490659,EMOLS-id_57602591,PC-id_120522220	342.389	UKABLRIXEWXUIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069923
OC(=O)CCC(c1ccccc1)NC(=O)c1noc2c1CCCCC2	MCULE-5393941648,PC-id_120518938,EMOLS-id_57596719	342.389	VSEKTXBCFHCIBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069924
O=C(O)CCN(Cc1ccccc1)C(=O)c1noc2c1CCCCC2	MCULE-4105027278,EMOLS-id_316902713,ZINC22_683298340,PC-id_136536303	342.389	XWMKKWYZIASYFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069925
OC(=O)CN(C(=O)c1noc2c1CCCCC2)CCc1ccccc1	EMOLS-id_57654035,PC-id_120540530,MCULE-9681400004	342.389	CCSBHODOMZOQOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069926
OC(=O)C(N(C(=O)c1noc2c1CCCCC2)C)Cc1ccccc1	PC-id_121870573,MCULE-3032656125,EMOLS-id_72453290	342.389	KXKVTKKWFLZJNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069927
CCOP(COC1=CCC=c2c(=C1)cc(s2)C(O)C)OCC	PC-id_142985018	342.39	AVRGVHIOBUIJRO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-069928
CCOC(=O)c1c(Nc2cc3-c(c2)ccccc3)nc2-c1ccccc2	PC-id_101582079	342.391	RWKYJOAFUXBMCU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-069929
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)NCc1ccccc1	EMOLS-id_232810697,PC-id_72075265,ZINC22_72453955,MCULE-6938440190	342.392	NPUTWHSBHBQWKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069930
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c12C(=O)NCC(C)(C)Cc1[nH]c(C(=O)Nc1cc(C)ccc1OC)n2	PC-id_50949344,MCULE-8043047349,ZINC22_65371192,EMOLS-id_32370280	342.392	IBUPAUYSBHOOQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069932
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Cc1ccoc1C(=O)N1CC(CN2CCCC2=O)Cn2ccnc2C1	EMOLS-id_44326289	342.392	FJDHKYBFJNQUPF-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-069952
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Cc1occc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1=O	ZINC22_585096821	342.392	DBMVSVIWYBLIDT-CQSZACIVSA-N	00000010101000000101000000000010000000000000000000000000	31-01-069960
Cc1occc1C(=O)N1Cc2nccn2C[C@H](CN2CCCC2=O)C1	PC-id_97462878,ZINC22_96188440	342.392	JDHSSEDDZHMVQO-CQSZACIVSA-N	00000010101000000101000000000010000000000000000000000000	31-01-069961
Cc1occc1C(=O)N1Cc2nccn2C[C@@H](CN2CCCC2=O)C1	PC-id_97462879,ZINC22_96188441	342.392	JDHSSEDDZHMVQO-AWEZNQCLSA-N	00000010101000000101000000000010000000000000000000000000	31-01-069962
Cc1occc1C(=O)N1CC(CN2CCCC2=O)Cn2ccnc2C1	EMOLS-id_44326279	342.392	JDHSSEDDZHMVQO-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-069963
CCC1(C)Oc2c(O1)ccc(c2)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319784381	342.392	LMXVQVGBZAZCQC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069964
CCCc1ccc(cc1CCn1cnc2c1NC=[NH+]C[C@@H]2O)C(=O)[O-]	GD-id_ZINC13807587	342.392	BWBKHIOFXQRKTP-HNNXBMFYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069965
CCCc1ccc(C(=O)O)cc1CCn1cnc2c1NC=NCC2O	BindingDB_PC-id_10712334,PC-id_10712334,CHEMBL288157	342.392	BWBKHIOFXQRKTP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069966
C#CCCC1(CCNC(=O)c2cc3c(o2)C(C)(C)CCNC3=O)N=N1	PC-id_146152653,ZINC22_1875381094	342.392	KFXJOOZNUGLDKP-UHFFFAOYSA-N	00110000100000000101000000000010000000000000000000000000	31-01-069967
C#CCCC1(CCNC(=O)c2coc3c2C(=O)NCC(C)(C)C3)N=N1	ZINC22_2325887473	342.392	VCWZFBSAMAYSRJ-UHFFFAOYSA-N	00110000100000000101000000000010000000000000000000000000	31-01-069968
CCOc1cc(c(cc1)/C=C(c1nnc2n1CCCCC2)/C(=O)N)O	PC-id_137251199	342.392	ULYHWFZDMNFJEY-UVTDQMKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069969
CCOc1ccc(c(c1)O)C=C(c1nnc2n1CCCCC2)C(=O)N	EMOLS-id_300775991,MCULE-8305180244	342.392	ULYHWFZDMNFJEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069970
CCOc1ccc(/C=C(C(=O)N)/c2nnc3n2CCCCC3)c(O)c1	PC-id_135716132,ZINC22_6892405	342.392	ULYHWFZDMNFJEY-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069971
CCOC(=O)c1ccc(C)c(CCn2cnc3c2NC=NCC3O)c1	BindingDB_PC-id_10688670,PC-id_10688670,CHEMBL37408	342.392	DCJRIALZFIPCSY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069972
CCOC(=O)c1cc(CCn2cnc3c2NC=NCC3O)ccc1C	CHEMBL34859,PC-id_10759722,BindingDB_PC-id_10759722	342.392	WSHDFHIQQMIDDD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-069973
CCOC(=O)CNc1cccc(c1)C(=O)N1CCCn2c(C1)cnc2	EMOLS-id_43141066,PC-id_56903776,MCULE-6773944532	342.392	XWDQYTGCMOKRQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069974
CC(=O)N1CCCn2c(C1)cc(n2)C(=O)NC[C@@H](c1ccccc1)O	PC-id_95200030	342.392	WMUCYFZEOMXLLO-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069975
CC(=O)N1CCCn2c(C1)cc(n2)C(=O)NC[C@H](c1ccccc1)O	PC-id_95200031	342.392	WMUCYFZEOMXLLO-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069976
CC(=O)N1CCCn2nc(C(=O)N[C@H](CO)c3ccccc3)cc2C1	PC-id_95205888,ZINC22_67726280	342.392	FSUHMMFFHHREJO-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069977
CC(=O)N1CCCn2nc(C(=O)N[C@@H](CO)c3ccccc3)cc2C1	ZINC22_67726277,PC-id_95205886	342.392	FSUHMMFFHHREJO-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069978
CC(=O)Nc1ccc(O)c(c1)C(=O)NCc1n[nH]c2CCCCCc12	PC-id_56878723,MCULE-7932938719,ZINC22_71763859,EMOLS-id_43206709	342.392	QYRAZFLISVPYTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069979
Cn1ccc(n1)[C@@H]1C[C@H]1NC(=O)c1coc2c1C(=O)NCC(C2)(C)C	EMOLS-id_319005567	342.392	DHOQHEGJZDMPFJ-GXFFZTMASA-N	00100000100000000101100000000010000000000000000000000000	31-01-069980
Cn1c(=O)n2CCN(CCc2n1)C(=O)C1(CC1)c1ccc(cc1)OC	PC-id_91922396	342.392	CWDVUPKYVQPCAK-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-069981
Cn1ncc(c1)[C@@H]1C[C@H]1NC(=O)c1coc2c1C(=O)NCC(C2)(C)C	EMOLS-id_319493674	342.392	GGXXSTALFZUXTN-WCQYABFASA-N	00100000100000000101100000000010000000000000000000000000	31-01-069982
CN(Cc1cnc2n1CCN(CC2)C(=O)c1ccc2c(c1)OCO2)C	PC-id_97466955	342.392	HJFPOYOHXJKOCV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069983
CN(C)CC1CCn2nccc2CN1C(=O)c1ccc2OCOc2c1	EMOLS-id_313817389	342.392	ZLACSNDHFLFTCO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069984
CN(C)C[C@@H]1CCn2nccc2CN1C(=O)c1ccc2c(c1)OCO2	ZINC22_585098576	342.392	ZLACSNDHFLFTCO-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069985
CN(C)C[C@H]1CCn2nccc2CN1C(=O)c1ccc2c(c1)OCO2	ZINC22_585098577	342.392	ZLACSNDHFLFTCO-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069986
CN(C)C(C(=O)N1CCCn2cncc2C1)c1ccc2OCOc2c1	EMOLS-id_43100075,PC-id_56892567,MCULE-8910462489	342.392	WMEMAGCNULNOEQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069987
CN(C)[C@H](C(=O)N1CCCn2cncc2C1)c1ccc2c(c1)OCO2	ZINC22_72146526	342.392	WMEMAGCNULNOEQ-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069988
CN(C)[C@@H](C(=O)N1CCCn2cncc2C1)c1ccc2c(c1)OCO2	ZINC22_72146527	342.392	WMEMAGCNULNOEQ-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069989
CN(C)C(=O)C1CN(Cc2ccc3OCOc3c2)Cc2ccnn2C1	EMOLS-id_44326637	342.392	NOZYNJRJCIFDDM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069990
CN(C)C(=O)[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	PC-id_97463211,ZINC22_96188780	342.392	NOZYNJRJCIFDDM-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069991
CN(C)C(=O)[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_96188781,PC-id_97463212	342.392	NOZYNJRJCIFDDM-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-069992
CN(C(=O)c1coc2c1C(=O)NCC(C2)(C)C)CCc1ncccn1	EMOLS-id_319370216	342.392	ZKLKUDKJFIYFET-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-069993
COc1ccc(cc1)C1(CC1)C(=O)NC1CCc2n[nH]c(=O)n2CC1	MCULE-1149490383,EMOLS-id_50583262,PC-id_91922653	342.392	RAOXTQYYCNWDDI-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-069994
COc1cccc(c1)C(=O)NCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319181524	342.392	BTFRJHUWRZSYMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069995
COc1ccc(NC(=O)C)cc1NC(=O)c1n[nH]c2CCCCCc12	MCULE-4810015934,EMOLS-id_323251647	342.392	JQIRDCGHCNGNCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069996
COc1cc(NC(=O)c2cnc3n2CCCCC3)ccc1NC(=O)C	ZINC22_621611971,EMOLS-id_324036476,MCULE-6054870052,PC-id_145907399	342.392	OVDKSNSILUTARQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-069997
COc1ncccc1C(=O)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_247832805	342.392	IAVFOPGEMOKSTF-HNNXBMFYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069998
COc1ncccc1C(=O)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_247832807	342.392	IAVFOPGEMOKSTF-OAHLLOKOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-069999
COCCNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	CoCoCo_2544497,PC-id_20964703	342.392	BICFUJHJUZVBOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070000
COC(=O)c1cc(C)ccc1CCCn1cnc2c1NC=NCC2O	BindingDB_PC-id_10854788,PC-id_10854788,CHEMBL35777	342.392	ICBVMQDRWPSXIR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070001
COC(=O)c1ccc(C)cc1CCCn1cnc2c1NC=NCC2O	CHEMBL290111,PC-id_10831164,BindingDB_PC-id_10831164	342.392	ZDIDPDYZBAVGDL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070002
COC(=O)c1ccc(C)c(CCCn2cnc3c2NC=NCC3O)c1	CHEMBL37183,PC-id_10569307,BindingDB_PC-id_10569307	342.392	YFZDIPSQZMNRAS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070003
COC(=O)c1cc(NC(=O)C2CCn3c(CC2)nnc3)c(cc1C)C	EMOLS-id_278166757	342.392	OHDKRORYWAHOGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070004
COC(=O)CC(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_258075811,MCULE-5186446717	342.392	UNNYUDZYGQYBGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070005
COC(=O)[C@@H]1CCc2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC1	ZINC22_601043566	342.392	DKHARKMXZVONFR-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070006
COC(=O)[C@H]1CCc2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC1	ZINC22_601043567	342.392	DKHARKMXZVONFR-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070007
COC(=O)CN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1	EMOLS-id_257961619,MCULE-3854641851	342.392	DRJARELRGFIPHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070008
n12CCCNCc1cc(CNC(=O)CCc1ccc3c(OCO3)c1)n2	EMOLS-id_44426797,ZINC22_82092896,PC-id_70714097,MCULE-3150116420	342.392	PHQDTVHKPGKTLK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070009
OC1c2n(CCCCC(c3ccccc3)C(=O)O)cnc2NC=NC1	PC-id_10736075	342.392	PFDVPRXBVZJQSX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070010
OC1c2ncn(CCc3cc(ccc3)CC(=O)OCC)c2NC=NC1	PC-id_10688671	342.392	GZDGYYVKGOGRQG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070011
OC1c2ncn(CCc3c(CC)ccc(c3)C(=O)OC)c2NC=NC1	PC-id_10569308	342.392	ILMQKJVGWDZAFT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070012
OC1CC(C1)C(=O)N1Cc2ccnn2CCC1COc1cccnc1	EMOLS-id_313744054	342.392	NPPMZKGWGGEBPE-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-070013
O=C1CCCN1Cc1ncn2c1CN(CCC2)C(=O)c1ccoc1C	PC-id_97405466	342.392	GMLFGTBDTCMUSM-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-070014
O=C1C(=C)C(=NC=C1C)CN1CCCn2nc(cc2C1)CCC(=O)O	PC-id_76439873	342.392	VRNUTFNLVHWXHG-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-070015
O=C(c1cc(C2CC2)on1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_247856306	342.392	KRJVZTABJGEARO-HNNXBMFYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-070016
O=C(c1cc(C2CC2)on1)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_247856311	342.392	KRJVZTABJGEARO-OAHLLOKOSA-N	00100000100000000101100000000010000000000000000000000000	31-01-070017
O=C(c1cccc(c1)C(=O)O)NCCCc1nnc2n1CCCCC2	EMOLS-id_53608674,MCULE-1778307604,PC-id_120095018	342.392	LEUYLVWHKZOTQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070018
O=C(c1ccc(cc1)C(=O)O)NCCCc1nnc2n1CCCCC2	PC-id_119186769,EMOLS-id_52071345,MCULE-4766580484	342.392	CHBOSCALJFDTQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070019
O=C(c1cc(CO)ccn1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	PC-id_100035923,ZINC22_219249440	342.392	TWFPBCIQZMHCME-KRWDZBQOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-070020
O=C(c1cc(CO)ccn1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_219249509,PC-id_100035925	342.392	TWFPBCIQZMHCME-QGZVFWFLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-070021
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)c1[nH+]cccc1	PC-id_9208454	342.478	JNQHZXQRYAYYTH-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-070814
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1OC1CCOC1	MCULE-8512034425,EMOLS-id_319877880	342.392	HMVMSHOVHPKUJT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-070022
O=C(C1CC(O)C1)N1Cc2ccnn2CC[C@@H]1COc1cccnc1	ZINC22_585097610	342.392	NPPMZKGWGGEBPE-OGVSOVDVSA-N	00001000100000101101000000000010000000000000000000000000	31-01-070023
O=C(C1CC(O)C1)N1Cc2ccnn2CC[C@H]1COc1cccnc1	ZINC22_585097611	342.392	NPPMZKGWGGEBPE-SIWZUTFBSA-N	00001000100000101101000000000010000000000000000000000000	31-01-070024
O=C(c1coc2c1C(=O)NCC(C2)(C)C)NC1CCn2c(C1)ccn2	EMOLS-id_319365775	342.392	KYUDFWDAAYAVBZ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070025
O=C(c1coc2c1C(=O)NCC(C2)(C)C)NCc1cnc2n1CCC2	MCULE-3573966008,EMOLS-id_320174369	342.392	HRSYVXSOQQVDAU-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-070026
O=C(c1coc2c1C(=O)NCC(C2)(C)C)N[C@@H](c1nccnc1C)C	EMOLS-id_320038249,MCULE-3976168525	342.392	RCBAXJWIMSMICD-LLVKDONJSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070027
O=C(c1coc2c1C(=O)NCCC2)N1CCC(CC1)Cc1ccn[nH]1	EMOLS-id_319790383	342.392	USWCRXWZMHEMLG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070028
O=C(c1coc2c1C(=O)NCCC2)N1CCC(CC1)Cn1cncc1	MCULE-3750704129,EMOLS-id_319937087	342.392	LBZKZCNQHFBBDZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070029
O=C(c1coc2c1C(=O)NCCC2)NC(C(C)(C)C)c1ncccn1	EMOLS-id_319509962	342.392	MVQKXZOPSZVCQA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070030
O=C(c1noc2c1CCCCC2)Nc1ccc(cn1)N1CCOCC1	EMOLS-id_100948251	342.392	ZUXMKCDKYCEOGR-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-070031
O=C(Cc1cccc(c1)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_120225609	342.392	GZDJITWHIKKBPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070032
O=C(CCc1ccc2c(c1)OCO2)NCc1nnc2n1CCCCC2	ZINC22_48344914,EMOLS-id_30733467,PC-id_47015276,MCULE-4374156822	342.392	MUFOCWXZZVJEHF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070033
O=C(CCNC(=O)c1noc2c1CCCCC2)NCc1cccnc1	ZINC22_130176621,MCULE-8991556116,PC-id_99627662,EMOLS-id_53781281	342.392	QIOKEWMEOJBOKI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070034
O=C(Cn1nc2n(c1=O)CCCCC2)NC1C(O)Cc2c1cccc2	PC-id_111658862	342.392	CKWZPTJVEJFZDT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070035
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)OC(O2)(C)C	EMOLS-id_101963352	342.392	QUPBSDNBZVQSQK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070036
O=C(N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O)COc1cccnc1	PC-id_100211095	342.392	GQRBBHJXVYQWDM-SFHVURJKSA-N	00100000100000101101000000000010000000000000000000000000	31-01-070037
O=C(N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O)COc1cccnc1	PC-id_100211106	342.392	GQRBBHJXVYQWDM-GOSISDBHSA-N	00100000100000101101000000000010000000000000000000000000	31-01-070038
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)CCc1cccnc1	PC-id_56899476	342.392	WJAUQOKXBTZDOA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070039
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O=C(N1CC(Cn2nccc2C1)OCC1CC1)c1cc(on1)C1CC1	EMOLS-id_50008336	342.392	KRJVZTABJGEARO-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-070041
O=C(N1CC(COc2cccnc2)Cn2c(C1)ncc2)[C@H]1CCCO1	PC-id_118739331	342.392	OWYLOTYZTQLYNT-BZSJEYESSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070042
O=C(N)/C(=C/1N2CCCCCC2=NN1)/C=C
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O=C(N)C(=C1N2CCCCCC2=NN1)C=C1C(=O)C=C(OCC)C=C1	PC-id_6791050	342.392	SRHZZCDHBQFSOG-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-070044
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O=C(O)C(CCCCn1cnc2c1NC=NCC2O)c1ccccc1	PC-id_10545248,BindingDB_PC-id_10545248,CHEMBL288348	342.392	HPKYTRFCSRXETB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070046
Cc1c(c(no1)C)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625606	342.394	WWOFEJCKOOQZKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070047
c12CN(CCCn1nc(CNC(=O)c1ccncc1)c2)C(=O)N(C)C	PC-id_70730885,EMOLS-id_44432715,MCULE-2373013178,ZINC22_82107038	342.396	MPBJKZXWRLZSBC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070048
c1(cn2c(CCNCC2)n1)C(=O)N1C[C@H]([C@H](Cc2cnccn2)C1)O	MCULE-2194160372,EMOLS-id_330418389,ZINC22_1857710329	342.396	QZXGGGSQCFZHRT-IUODEOHRSA-N	00000010100000100101000000000010000000000000000000000000	31-01-070049
c1(C(=O)N2CCCC2)cc2n(CCCN(C2)C(=O)c2c[nH]c(C)n2)n1	PC-id_50984256,ZINC22_67981958,MCULE-6158880622,EMOLS-id_32436276	342.396	ZAFSVCMXCVVMCN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070050
c1(C(=O)N2CCn3c(CC2)nc(C(=O)N)c3)c2CCCCc2nn1C	EMOLS-id_331101243,MCULE-3050442986,ZINC22_1875249202	342.396	KVTMITOUEBUTDX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070051
c1(C(=O)N(C)C)cn2c(CCN(C(=O)CNc3cccnc3)CC2)n1	EMOLS-id_331144718,MCULE-3721346242,ZINC22_1875242822	342.396	DBYYYSMRKITMLK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070052
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc(n1)N1CCOCC1	MCULE-1572118197,EMOLS-id_319926003	342.396	GNXARBNYZXYJMZ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-070053
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CC(=O)N(C1)c1cnn(c1)C	EMOLS-id_318936827	342.396	IXAOVEKYPQAUGO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-070054
Cc1cnnn1Cc1ncn2c1CN(C(=O)[C@@H]1[C@H]3COC[C@@H]13)CCC2	ZINC22_1565551685	342.396	QQEAGXYITXINSE-VIKVFOODSA-N	00100010100000000101010000000010000000000000000000000000	31-01-070055
Cc1cnnn1Cc1ncn2c1CN(C(=O)[C@H]1[C@H]3COC[C@@H]13)CCC2	ZINC22_1565551687	342.396	QQEAGXYITXINSE-YWVIFJGQSA-N	00100010100000000101010000000010000000000000000000000000	31-01-070056
Cc1cnnn1Cc1ncn2CCCN(Cc12)C(=O)C1[C@H]2COC[C@@H]12	EMOLS-id_313730781	342.396	QQEAGXYITXINSE-OCZCAGDBSA-N	00100010100000000101010000000010000000000000000000000000	31-01-070057
Cc1ncc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2=O)[nH]1	ZINC22_585097878	342.396	SLZSPHGSOYCEMQ-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070058
Cc1ncc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2=O)[nH]1	ZINC22_585097881	342.396	SLZSPHGSOYCEMQ-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070059
Cc1nc(c[nH]1)C(=O)N1Cc2ccnn2CCC1CN1CCCC1=O	EMOLS-id_313815083	342.396	SLZSPHGSOYCEMQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070060
O=C(NCc1ccc(OCC2CC2)nc1)[C@H]1CCc2nnnn2CC1	ZINC22_567240268	342.396	NMHRRWBHPIBQGZ-AWEZNQCLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-070101
C=CCOCc1nnn2c1CN(C(=O)CCc1cncnc1)CCC2	EMOLS-id_313735131,ZINC22_1565543102	342.396	VRVSKZAKIMYYIT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070061
C[C@@H]1CCc2c(C1)c(n[nH]2)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18366193	342.396	IBKCLAYGNDHIDA-MFKMUULPSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070062
C[C@H]1CCc2c(C1)c(n[nH]2)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18366194	342.396	IBKCLAYGNDHIDA-GWCFXTLKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070063
Cn1cnc(C(=O)N2CCc3ccc(C(=O)N4CCCC4)n3CC2)n1	ZINC22_1565544865,EMOLS-id_313773774	342.396	UAASEEWAILYMHG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070064
Cn1cnc(C(=O)N2CCc3ccc(C(=O)NCC4CC4)n3CC2)n1	EMOLS-id_313775296,ZINC22_1565544202	342.396	FYOXZXIYDHZKRF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070065
Cn1ncc(c1)CC1CC(=O)N(C1=O)Cc1nnc2n1CCCCC2	EMOLS-id_100809983	342.396	YEXIIJZGYSQXEI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070066
Cn1ncc(c1)N1CC(CC1=O)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_319089546	342.396	PZORWRIWHWRIIC-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-070067
CO[C@@H]1[C@H](NC(=O)NC2CCc3n(CC2)nnn3)Cc2c1cccc2	EMOLS-id_102158833	342.396	XVIIXISZSVYLPV-TUJLOAKASA-N	00000010100000100101000000001010000000000000000000000000	31-01-070068
n12CCC(CCc1nn(CC1CC1)c2=O)NC(=O)c1cnc(C)cn1	PC-id_91922678,MCULE-1085678164,EMOLS-id_50586135	342.396	HXINZDJRKGXCQP-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-070069
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)CNC(=O)N	EMOLS-id_36435526,PC-id_56707896,ZINC22_67740904,MCULE-9965692700	342.396	XBROKYQSGPLIRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070070
NC(=O)NCc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1	CoCoCo_4336664,ZINC22_12879626,EMOLS-id_18887405,PC-id_25572601,MCULE-7791776676	342.396	OOVOOOXNWGDAPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070071
Oc1ccc(nn1)C(=O)N1CC(CN2CCCC2)Cn2ccnc2C1	EMOLS-id_313724125	342.396	IJYJSLUZARKOLU-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-070072
OC1CC(N(C1)C(=O)NC1CCn2c(CC1)nnn2)c1ccccc1	EMOLS-id_102107087	342.396	PVMYWTUHBIJCIK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-070073
O=C(C1CCCCc2n1c(=O)[nH]n2)N1CCN(CC1)c1ccccn1	MCULE-9316040865,EMOLS-id_207869214	342.396	KSNUWBYTDHJMNI-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-070074
O=C(c1ccc(cn1)C(=O)N)NCCCc1nnc2n1CCCCC2	MCULE-5497919175,PC-id_119110793,EMOLS-id_71707923	342.396	JDOMBCIFJXGNOH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070075
O=C(c1cccnc1)N1CCc2n(CC1)c(nn2)CN1CCOCC1	PC-id_97405807	342.396	WUOXXZBPFWTLLW-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-070076
O=C(c1cccnc1)N1CCCn2c(C1)c(nn2)CN1CCOCC1	PC-id_97413611	342.396	ZLLXPDWMNWORRB-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-070077
O=C(c1cccnc1)N1CCCn2c(CN3CCOCC3)nnc2C1	ZINC22_96259701,PC-id_97519783,EMOLS-id_44370948	342.396	ZEAGBBXXUQZPFS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-070078
O=C(c1ccc(O)nn1)N1Cc2nccn2C[C@H](CN2CCCC2)C1	ZINC22_1565553985	342.396	IJYJSLUZARKOLU-ZDUSSCGKSA-N	00000010100000100101000000000010000000000000000000000000	31-01-070079
O=C(c1ccc(O)nn1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_1614933813	342.396	IJYJSLUZARKOLU-CYBMUJFWSA-N	00000010100000100101000000000010000000000000000000000000	31-01-070080
O=C(C1CCn2c(CC1)nnn2)NCc1ccc(nc1)OCC1CC1	MCULE-5770047871,EMOLS-id_316882867	342.396	NMHRRWBHPIBQGZ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-070081
O=C(c1ccncc1)N1CCCn2c(CN3CCOCC3)nnc2C1	EMOLS-id_44370950,PC-id_97519784,ZINC22_96259702	342.396	QPOQUPXDXJFKRD-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-070082
O=C(c1ccnnc1)N1CCc2ncc(CN3CCOCC3)n2CC1	EMOLS-id_44328753,ZINC22_96196911,PC-id_97467055	342.396	LITKLQJAZBSQPD-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-070083
O=C(C1CCOC1)N1CCCn2cnc(CNc3ncccn3)c2C1	EMOLS-id_46182349	342.396	VNYUIZOSBBYOAA-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-070084
O=C(c1cnccn1)N1Cc2ccnn2CC[C@H]1CN1CCOCC1	ZINC22_585097311	342.396	JZQSQCRPVCGKQA-AWEZNQCLSA-N	00000000100010100101000000000010000000000000000000000000	31-01-070085
O=C(c1cnccn1)N1Cc2ccnn2CC[C@@H]1CN1CCOCC1	ZINC22_585097314	342.396	JZQSQCRPVCGKQA-CQSZACIVSA-N	00000000100010100101000000000010000000000000000000000000	31-01-070086
O=C(c1cnccn1)N1CCc2ncc(CN3CCOCC3)n2CC1	ZINC22_96196910,EMOLS-id_44328751,PC-id_97467054	342.396	HXIJADXNXLPTGB-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-070087
O=C([C@H]1CCOC1)N1CCCn2cnc(CNc3ncccn3)c2C1	PC-id_97405486,ZINC22_96084663	342.396	VNYUIZOSBBYOAA-ZDUSSCGKSA-N	00000010100000100101000000000010000000000000000000000000	31-01-070088
O=C([C@@H]1CCOC1)N1CCCn2cnc(CNc3ncccn3)c2C1	ZINC22_96084662,PC-id_97405485	342.396	VNYUIZOSBBYOAA-CYBMUJFWSA-N	00000010100000100101000000000010000000000000000000000000	31-01-070089
O=C(CNC(=O)c1ccccn1)NCCc1nnc2n1CCCCC2	MCULE-4271905110,ZINC22_71916116,PC-id_56794239,EMOLS-id_36984754	342.396	CDEBPROVVSECFK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070090
O=C(N1Cc2ccnn2CCC1CN1CCOCC1)c1cnccn1	EMOLS-id_313816874	342.396	JZQSQCRPVCGKQA-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-070091
O=C(N1CCCC1c1ncccn1)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_316695677	342.396	LFGHPPQGSAQYPB-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-070092
O=C(N1CCCC1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1	ZINC22_96188754,PC-id_97463185	342.396	XBBPYMSHELGZLH-CQSZACIVSA-N	00000010100000100101000000000010000000000000000000000000	31-01-070093
O=C(N1CCCC1)N1Cc2nccn2C[C@H](Cn2ncccc2=O)C1	ZINC22_96188755,PC-id_97463186	342.396	XBBPYMSHELGZLH-AWEZNQCLSA-N	00000010100000100101000000000010000000000000000000000000	31-01-070094
O=C(N1CCCC1)N1CC(Cn2ncccc2=O)Cn2ccnc2C1	EMOLS-id_44326595,PC-id_118739351	342.396	XBBPYMSHELGZLH-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-070095
O=C(N1CCOCC1c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102164935	342.396	HTISOVRUNUADTL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-070096
O=C(N1CCOC(C1)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183252	342.396	CICWTTRYECFRSY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-070097
O=C(Nc1ccc2c(c1)CC(O2)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102003363	342.396	ZBNAYDYOTXTDRE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070098
O=C(NC1CCCC1)c1ncn2c1CN(C(=O)c1cc[nH]n1)CCC2	EMOLS-id_313787197,ZINC22_1565555006	342.396	NNBQMIKCFIMTQH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070099
O=C(Nc1ccc(cc1)C1CCOC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102022705	342.396	WYHMDPYOTGANML-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-070100
O=C(NCc1ccc(OCC2CC2)nc1)[C@@H]1CCc2nnnn2CC1	ZINC22_567240269	342.396	NMHRRWBHPIBQGZ-CQSZACIVSA-N	00100000100000101101000000000010000000000000000000000000	31-01-070102
CC(c1ccc(c2-c(c1)c(C)cc2)Cc1cccc(c1)C(F)(F)F)C	PC-id_102111804	342.397	PUDAQJYZHCOAGP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-070103
FC(F)(F)c1ccc(Cc2c3-c(cc(C(C)C)cc2)c(cc3)C)cc1	PC-id_71724351	342.397	BWQNALHLWFGFKK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-070104
c12n(C)ncc1c(nc(COC)n2)NCc1nnc2CCCCCn12	EMOLS-id_43175095,MCULE-4731774214,ZINC22_72169621,PC-id_56915309	342.399	LXGPVBFZJVRROK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070105
CN(Cc1nnc2n1CCCCC2)c1ncnc2c1cnn2CCO	MCULE-6555401402,EMOLS-id_49993835,PC-id_86774299,ZINC22_97200369	342.399	AZILZEYKCXAGPU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070106
CNC(=O)c1[nH]nc(c1)NC1=NCCC[C@@H](N=CNn2c1ccc2)C	PC-id_143606580	342.399	VANJDPZOHOFKRM-NSHDSACASA-N	00000000100000000111000000000010000000000000000000000000	31-01-070107
O=C(N1CCN(CC1)c1ccccn1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183087	342.399	CEKGCPYHLDTOOC-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-070108
O=C(Nc1cccnc1N1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102006774	342.399	PZCIQUPFBMBFBO-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-070109
CCOC(=O)c1sc(c2c1OCCC(CCO2)C)C(=O)OCC	PC-id_101801831	342.407	DVRROVHXGJOURM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070110
Fc1ccc(cc1)CN1CCCC1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_316866496,MCULE-3902363473	342.407	SSNMNNHAJITLPE-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-070111
FC(SCc1ccc(o1)CNCc1nnc2n1CCCCC2)F	PC-id_119109262	342.407	IZYWRQRHFPPWLW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-070112
O=C([C@H]1CCCN1Cc1ccc(F)cc1)N1CCCc2occc2C1	ZINC22_289211824	342.407	SSNMNNHAJITLPE-GOSISDBHSA-N	00000010100000110100000000000010000000000000000000000000	31-01-070113
O=C([C@@H]1CCCN1Cc1ccc(F)cc1)N1CCCc2occc2C1	ZINC22_289211827	342.407	SSNMNNHAJITLPE-SFHVURJKSA-N	00000010100000110100000000000010000000000000000000000000	31-01-070114
CC1CN(Cc2c(C1)[nH]nc2)C(c1ccc(cc1)F)C(=O)NC1CC1	EMOLS-id_319674693	342.411	SBBRAMCMYSZGGM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-070115
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1)F)N1CCCC1	EMOLS-id_319038067	342.411	IELBZBYXKYJZCG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-070116
Fc1cc(C2C(C2)C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_72026221,MCULE-5603324162,EMOLS-id_48990223	342.411	IILWGKJQQWYHSZ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070117
Fc1ccc(C2C(C2)C(=O)NCCc2n3CCCCCc3nn2)cc1	MCULE-1511991657,EMOLS-id_48989647,PC-id_72029017	342.411	GDKCUCQVCKDHGU-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070118
Fc1ccc(cc1)C1(CCCC1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-2920998988,EMOLS-id_320067141	342.411	GXODZPAOPKPPIA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-070119
Fc1ccc(cc1)C(C1CCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316657244	342.411	XAGRMJKWWCOCLD-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-070120
Fc1ccc(cc1)CC1(CNC(=O)C2CCn3c(CC2)nnc3)CC1	EMOLS-id_319058410	342.411	FKAJOSLAZKDJNS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-070121
Fc1ccc(cc1)[C@@H]1C[C@H]1C(=O)N(Cc1nnc2n1CCCCC2)C	MCULE-4236002154,EMOLS-id_320154320	342.411	TUGUYIILNDPZNG-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070122
Fc1ccc(cc1)[C@@H]1C[C@H](C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101703614	342.411	HPWYOKJCFMGFGG-CZIWCDLHSA-N	00001000100000110101100000000010000000000000000000000000	31-01-070123
Fc1cccc(c1)[C@@H]1C[C@H](C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101714072	342.411	ZNATYDMBIFCJMX-CZIWCDLHSA-N	00001000100000110101100000000010000000000000000000000000	31-01-070124
Fc1ccc(cc1)C(=O)N1CCc2n(CC1)c(cn2)CN1CCCC1	PC-id_97390198	342.411	WEYQPPCYRGXSEQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-070125
Fc1cccc(c1)C(=O)N1CCc2n(CC1)c(cn2)CN1CCCC1	PC-id_97467006	342.411	FNBSZJBFNWEYLM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-070126
Fc1ccccc1C(=O)N1CCCn2c(C1)c(nc2)CN1CCCC1	PC-id_97405460	342.411	WTNODGNBAAMOJE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-070127
Fc1ccc(cc1)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	EMOLS-id_44370140,ZINC22_96259298,PC-id_97519382	342.411	HFHTXABAJCMVRC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-070128
Fc1cccc(c1)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	PC-id_97519381,EMOLS-id_44370138,ZINC22_96259297	342.411	NFMFSMIMMJENCS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-070129
Fc1ccc(cc1)N1CCN(CC1)C(=O)c1n[nH]c2CCCCCc12	EMOLS-id_323252149,MCULE-7480312266	342.411	YTQGTAYKPNQXAE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-070130
Fc1ccccc1N1CCN(CC1)C(=O)c1n[nH]c2CCCCCc12	EMOLS-id_323253936,MCULE-1235438542	342.411	PWTWNIZQUUZCEH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-070131
Fc1cccc(CN2CC(CN3CCCC3=O)Cn3ccnc3C2)c1	EMOLS-id_44326297	342.411	XHSDGRTZBKFSDO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-070132
O=C1CCCN1C[C@@H]1CN(Cc2cccc(F)c2)Cc2nccn2C1	ZINC22_96188458,PC-id_97462896	342.411	XHSDGRTZBKFSDO-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-070133
O=C1CCCN1C[C@H]1CN(Cc2cccc(F)c2)Cc2nccn2C1	ZINC22_96188459,PC-id_97462897	342.411	XHSDGRTZBKFSDO-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-070134
O=C(C1CCn2c(CC1)nnc2)NC(c1ccc(c(c1)C)F)C1CC1	EMOLS-id_319342794	342.411	JKZRGLOHBATSCJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-070135
O=C(c1noc2c1CCCCC2)NS(=O)(=O)CC1CCCCO1	MCULE-8985235217,EMOLS-id_50354293,PC-id_102562116	342.411	UOCQGYGJRFBLIO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070136
O=C(c1noc2c1CCCCC2)NS(=O)(=O)CC1CCCOC1	EMOLS-id_111245480	342.411	JCVXDIRIEHHEMR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070137
O=C(C(N1CCCc2c(C1)cnn2C)c1ccc(cc1)F)NC1CC1	EMOLS-id_318048932	342.411	MLGSOTAUQNIFLR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-070138
O=C(NCCc1nnc2n1CCCCC2)C1(c2ccccc2F)CC1	EMOLS-id_49029345,PC-id_72009189,ZINC22_96412346,MCULE-4325950121	342.411	QGXAHSHVSHTRBH-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070139
O=C(NCCc1nnc2n1CCCCC2)C1(c2cccc(F)c2)CC1	MCULE-1961847463,ZINC22_96406337,PC-id_72012807,EMOLS-id_49022057	342.411	JBNKQAVJGGWXSN-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070140
O=C(NCCc1nnc2n1CCCCC2)C1(c2ccc(F)cc2)CC1	ZINC22_44366439,EMOLS-id_48989689,MCULE-4223084748,PC-id_72028655	342.411	MSMWYJFSPSHLNU-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070141
O=C(NCCc1nnc2n1CCCCC2)[C@H]1C[C@H]1c1cccc(F)c1	PC-id_95180033,ZINC22_67143402	342.411	IILWGKJQQWYHSZ-HOTGVXAUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070142
O=C(NCCc1nnc2n1CCCCC2)[C@@H]1C[C@@H]1c1cccc(F)c1	PC-id_95180036,ZINC22_67143405	342.411	IILWGKJQQWYHSZ-HZPDHXFCSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070143
O=C(NCCc1nnc2n1CCCCC2)[C@H]1C[C@@H]1c1cccc(F)c1	ZINC22_67143403,PC-id_95180034	342.411	IILWGKJQQWYHSZ-CVEARBPZSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070144
O=C(NCCc1nnc2n1CCCCC2)[C@@H]1C[C@H]1c1cccc(F)c1	ZINC22_67143404,PC-id_95180035	342.411	IILWGKJQQWYHSZ-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070145
O=C(NCCc1nnc2n1CCCCC2)[C@H]1C[C@@H]1c1ccc(F)cc1	PC-id_93907109,ZINC22_42765861	342.411	GDKCUCQVCKDHGU-CVEARBPZSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070146
O=C(NCCc1nnc2n1CCCCC2)[C@H]1C[C@H]1c1ccc(F)cc1	ZINC22_42765857,PC-id_93907108	342.411	GDKCUCQVCKDHGU-HOTGVXAUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070147
O=C(NCCc1nnc2n1CCCCC2)[C@@H]1C[C@H]1c1ccc(F)cc1	ZINC22_42765866,PC-id_93907110	342.411	GDKCUCQVCKDHGU-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070148
O=C(NCCc1nnc2n1CCCCC2)[C@@H]1C[C@@H]1c1ccc(F)cc1	ZINC22_42765870,PC-id_93907111	342.411	GDKCUCQVCKDHGU-HZPDHXFCSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070149
O=C(NS(=O)(=O)C[C@@H]1CCCCO1)c1noc2c1CCCCC2	ZINC22_158876358,PC-id_99707304	342.411	UOCQGYGJRFBLIO-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-070150
O=C(NS(=O)(=O)C[C@H]1CCCCO1)c1noc2c1CCCCC2	ZINC22_158876503,PC-id_99707306	342.411	UOCQGYGJRFBLIO-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070151
CC(=O)c1cccc(NC(=O)CN2CCCc3sccc3C2=O)c1	ZINC22_69844390,EMOLS-id_36703898,PC-id_53610898,MCULE-2537621836	342.412	LWKGQKFYWPSMFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070152
OCc1c(oc2c1cccc2)C(=O)N1CCCCc2c1sc(n2)C	MCULE-2409405424,EMOLS-id_320051034	342.412	JEBBPRVWCYQFJX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070153
O=C([C@@H](N1CC(=Nc2c(C1=O)scc2)C)C)OCc1ccccc1	PC-id_139222484	342.412	SQFYIRIQTZCNBK-ZDUSSCGKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070154
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O=C(N[C@@H]1CCc2ccc(O)cc12)c1cc2c(s1)CCCNC2=O	ZINC22_1875294497	342.412	UGJTUVRKFOAODI-CQSZACIVSA-N	00000010100000100100000000001010000000000000000000000000	31-01-070156
s1c2CCCCCc2cc1C(=O)NN=Cc1ccc(cc1)C(=O)O	PC-id_78620840	342.412	FZSSEUGPCRWJHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070157
CCC(c1nnc2n1CCCCC2)NCc1nc2n(c1)cccc2F	EMOLS-id_319983349,MCULE-7551562188	342.414	POMLAGAXRCEYJH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070158
CNCC(=O)NC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C	PC-id_146160660,EMOLS-id_323942382	342.414	OQWHKDFDFIHAIG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-070159
CNS(=O)(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_112008683	342.414	VFIUDIWNBBRQAQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070160
CS(=O)(=O)NCc1cnc2CCN(CCn12)C(=O)C1CCOC1	EMOLS-id_44328995	342.414	FQFXXXDPLXBDJK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070161
CS(=O)(=O)NCc1cnc2CCN(CCn12)C(=O)[C@H]1CCCO1	EMOLS-id_46161891,PC-id_97390231,ZINC22_96067925	342.414	COHPHYJBENZWND-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070162
CS(=O)(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1CCOC1)CC2	PC-id_97467176,ZINC22_96197032	342.414	FQFXXXDPLXBDJK-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070163
CS(=O)(=O)NCc1cnc2n1CCN(C(=O)[C@H]1CCOC1)CC2	PC-id_97467177,ZINC22_96197033	342.414	FQFXXXDPLXBDJK-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-070164
CS(=O)(=O)NCc1ncn2c1CN(C(=O)[C@@H]1CCCO1)CCC2	PC-id_97519529,ZINC22_96259445	342.414	VVWLXOQAGAQEOC-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070165
CS(=O)(=O)NCc1ncn2c1CN(C(=O)[C@H]1CCCO1)CCC2	PC-id_97519530,ZINC22_96259446	342.414	VVWLXOQAGAQEOC-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070166
CS(=O)(=O)NCc1ncn2CCCN(Cc12)C(=O)C1CCCO1	PC-id_118740788,EMOLS-id_44370444	342.414	VVWLXOQAGAQEOC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070167
O=C(NC1(C)CCS(=O)(=O)C1)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_36261449,PC-id_53527979	342.414	OLSJKQACSQILRN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070168
c12CN(CCCn1nc(C#N)c2)C(=O)c1ccc(C2CCCO2)s1	EMOLS-id_32395690,MCULE-3768727297,PC-id_50962657	342.415	OBSTTZFZTIQFPD-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-070169
Cc1c2c(nc(cc2C(=O)Nc2sc3c(CCCCC3)n2)C)on1	MCULE-2491345206,EMOLS-id_98316498	342.415	FSRJNNFKTIBOTL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070170
Cc1ccc(o1)c1n[nH]c(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320209916,MCULE-2875091600	342.415	NVGMXCFENNUFLM-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-070171
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)onc1c1cccs1	EMOLS-id_319096632	342.415	PARWLBKXTPIEMW-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-070172
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1csc(n1)c1ccc(o1)C	MCULE-5386464503,EMOLS-id_320115618	342.415	ZSQUSZMCVOQDLC-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-070173
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)n(C)c(=O)[nH]2	EMOLS-id_319355290	342.415	DAAWSDRTYCYJPK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070174
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)[nH]c(=O)n2C	EMOLS-id_319739086	342.415	XDTFGYJBKXPELS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070175
Cc1oc(c2cnn(C)c2)nc1C(=O)N1CCCc2sccc2C1	EMOLS-id_320345951,ZINC22_674516844,PC-id_139011733,MCULE-1750458335	342.415	XAOOPLMJOHMABZ-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-070176
Cc1sc2c(n1)CCCCN2C(=O)c1cc(C)nc2c1c(C)no2	EMOLS-id_320102552,MCULE-5605817049	342.415	WCNKSBZLILDVHM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070177
CCC1=CC=c2cc(sc2=CC1)Cn1cc(nn1)C=CC(=O)NO	PC-id_137122973	342.415	SLUXIPVYYWYSFR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-070178
CC(C)(c1ccccn1)NC(=O)NOC1=CCC=c2c(=C1)scn2	SCHEMBL15326396,PC-id_89856728	342.415	ZXUSUUURDNVJOZ-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-070179
Cn1ncc(c1)c1ccc(o1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319913432,MCULE-2528905026	342.415	RGGQWDWFCBRTAX-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-070180
Cn1nc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)ccc1=O	EMOLS-id_48218700,PC-id_75404466,ZINC22_79123895,MCULE-6470135988	342.415	ZXRIMRRKCAYYSD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070181
COc1cccc2c1[nH]nc2C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319174381	342.415	LFWMVUGFRZONNC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070182
COc1cccc2n1ncc2C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318891668	342.415	IGUYXDKFTXTILU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070183
COc1ccn2c(c1)ncc2C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319551702	342.415	HCYZDNJKZREYCW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070184
C[S@@](=O)c1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1	PC-id_95272941,ZINC22_69345304	342.415	NWZVLQPSLTXZNS-JBEBIEQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070185
C[S@@](=O)c1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1	PC-id_95272943,ZINC22_69345308	342.415	NWZVLQPSLTXZNS-LFPIHBKWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070186
C[S@](=O)c1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1	PC-id_95272945,ZINC22_69345312	342.415	NWZVLQPSLTXZNS-BSEYFRJRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070187
C[S@](=O)c1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1	ZINC22_64101983,PC-id_95048440	342.415	NWZVLQPSLTXZNS-SHACYNPGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070188
N#Cc1cc2n(n1)CCCN(C(=O)c1ccc([C@@H]3CCCO3)s1)C2	PC-id_95126712,ZINC22_65399403	342.415	OBSTTZFZTIQFPD-AWEZNQCLSA-N	00000010100100000101100000000010000000000000000000000000	31-01-070189
N#Cc1cc2n(n1)CCCN(C(=O)c1ccc([C@H]3CCCO3)s1)C2	ZINC22_65399404,PC-id_95126713	342.415	OBSTTZFZTIQFPD-CQSZACIVSA-N	00000010100100000101100000000010000000000000000000000000	31-01-070190
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(cc1)S(=O)C	EMOLS-id_37014107,MCULE-3747923523,PC-id_56800225	342.415	NWZVLQPSLTXZNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070191
O=C1c2ccccc2C(=O)N1CCSc1nnc2n1CCCCC2	PC-id_7877353,CoCoCo_3082106,MCULE-3784559959,EMOLS-id_24498785,ZINC22_6098081	342.415	GJVGVYBKQQADGO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070192
O=C1NCC(Cc2c1cn(n2)Cc1coc(n1)c1cccs1)(C)C	EMOLS-id_316460047,MCULE-9372228628	342.415	UFIRXJHMXQFHBO-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-070193
O=C(c1cnc2c(c1)c(C)no2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98551316	342.415	OHMBDDWWDSZXMR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070194
O=C(N1CCCc2c(C1)c[nH]n2)CCn1sc2c(c1=O)cccc2	EMOLS-id_318838391	342.415	FIEVXUXLWPCKOU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070195
O=C(N1CCCCc2c1sc(n2)C)Cc1ccc2c(c1)[nH]c(=O)[nH]2	MCULE-1555768523,EMOLS-id_320063708	342.415	HYVQJTHKTLQUBX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070196
O=C(Nc1ccncc1)c1nc2CCN(CCc2s1)C(=O)C1CC1	EMOLS-id_313794106,ZINC22_2055793460	342.415	HKHZILPJDXZYAS-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-070197
O=C(NNC(=O)c1cc2c(s1)CCCCC2)C=Cc1cnccn1	PC-id_71889181,MCULE-3540554724,EMOLS-id_44542060	342.415	DPRRIKRKDSJPDK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070198
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1nccnc1	PC-id_75363919	342.415	DPRRIKRKDSJPDK-VOTSOKGWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070199
S(c1n2CCCCCc2nn1)CC(=O)c1cc2c(NC(=O)C2)cc1	PC-id_8011702	342.415	RQIHSPMMHQYMFL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070200
c12C(CCCCn1nnn2)C(=O)NCCS(=O)(=O)N1CCCC1	MCULE-3790353952,PC-id_74235944,EMOLS-id_49650846	342.417	IBKSEHGDJPYHHA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070201
c12nnnn1CCCCC2C(=O)N1CCCN(CC1)S(=O)(=O)C	MCULE-7585891349,PC-id_74238599,EMOLS-id_49656248	342.417	FLWXHONNYLVLAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070202
CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CCCCn3nnnc23)CC1	PC-id_97906393,ZINC22_97546714	342.417	FLWXHONNYLVLAA-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070203
CS(=O)(=O)N1CCCN(C(=O)[C@H]2CCCCn3nnnc23)CC1	ZINC22_97546715,PC-id_97906394	342.417	FLWXHONNYLVLAA-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-070204
O=C(NCCS(=O)(=O)N1CCCC1)[C@@H]1CCCCn2nnnc12	PC-id_97896104,ZINC22_97480087	342.417	IBKSEHGDJPYHHA-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070205
O=C(NCCS(=O)(=O)N1CCCC1)[C@H]1CCCCn2nnnc12	PC-id_97896105,ZINC22_97480089	342.417	IBKSEHGDJPYHHA-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-070206
c12C(CCCCn1nnn2)C(=O)NCCc1sc2c(cccc2)n1	EMOLS-id_68892523,MCULE-5682904040,PC-id_118771365	342.419	LNZRFSKELBHUAA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070207
c12CN(CCCn1nc(CNc1ncnc3ccsc13)c2)C(=O)C	PC-id_70706981,ZINC22_82086947,MCULE-3408641925,EMOLS-id_44424241	342.419	NSRVLCVZZOPECY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070208
c1ccc(OCc2nnc3n2CCN(Cc2nccs2)CC3)nc1	ZINC22_96058876,PC-id_97381533	342.419	QDKQGKRWYKWIFH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070209
c1cnc(OCc2nnc3n2CCN(Cc2ccsc2)CC3)nc1	EMOLS-id_46182167,PC-id_97405406,ZINC22_96084581	342.419	ORIYXSAHGMYTBH-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-070210
c1(C(=O)N(C)Cc2ccc3c(nsn3)c2)nnc2CCCCCn12	ZINC22_1506398734,EMOLS-id_316259345,MCULE-1433099563	342.419	FAWYQXSEOMSCFO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070211
c1ncc(cn1)OCc1nnc2n1CCN(CC2)Cc1cccs1	PC-id_97405431	342.419	AEEJNXRELAKKQK-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-070212
Cc1ccc2c(c1)nc(s2)CNC(=O)C1CCn2c(CC1)nnn2	EMOLS-id_319172326	342.419	SYJNVDMIIQUIRD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070213
Cc1ccc(c2cc(NC(=O)[C@@H]3CCc4nncn4CC3)n[nH]2)s1	ZINC22_878564088	342.419	JLQQOTJYBTUACT-LLVKDONJSA-N	00000000100100000101100000000010000000000000000000000000	31-01-070214
Cc1ccc(c2cc(NC(=O)[C@H]3CCc4nncn4CC3)n[nH]2)s1	ZINC22_878564089	342.419	JLQQOTJYBTUACT-NSHDSACASA-N	00000000100100000101100000000010000000000000000000000000	31-01-070215
Cc1cc(C)n2nc(C(=O)Nc3nc4c(s3)CCCCC4)nc2n1	CoCoCo_4546098,MCULE-4206393065,PC-id_29859257,EMOLS-id_44038006,ZINC22_21902018,GD-id_ZINC21902018	342.419	YRYOAHFQESDLTL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070216
Cc1ccc(s1)c1n[nH]c(c1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-9220336366,EMOLS-id_320242308	342.419	JLQQOTJYBTUACT-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-070217
Cc1ccsc1C(=O)N1Cc2nccn2C[C@H](Cn2cncn2)C1	PC-id_97463080,ZINC22_96188646	342.419	DDXVZZQPYAZGKR-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070218
Cc1ccsc1C(=O)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	PC-id_97463081,ZINC22_96188647	342.419	DDXVZZQPYAZGKR-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070219
Cc1ccsc1C(=O)N1CCc2ncc(Cn3cncn3)n2CC1	ZINC22_96197003,PC-id_97467147,EMOLS-id_44328941	342.419	UBCPEMLSAKLAIH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070220
Cc1ccsc1C(=O)N1CCCn2c(C1)c(nn2)Cn1cccn1	PC-id_97405545	342.419	GKUMHZSYFZKVLJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070221
Cc1ccsc1C(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_44326489	342.419	DDXVZZQPYAZGKR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070222
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(s1)c1cnn(c1)C	EMOLS-id_319632178	342.419	HKBZKUQMQCWPED-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-070223
Cc1csc(c1)C(=O)N1CCc2nnc(Cn3cccn3)n2CC1	ZINC22_2055713888,EMOLS-id_313728985	342.419	VSQCHGIXFXPAPL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070224
Cc1nc(N)c2c(C)c(C(=O)N3CCCc4n[nH]cc4C3)sc2n1	ZINC22_663193220	342.419	UVQBFBBPTARHKV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070225
Cn1ncc(c1)c1scc(n1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670112	342.419	ICASKCTUPRSNNN-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-070226
N#C[C@H](C(=O)c1sc2c(c1)CCCCCC2)c1nc(N)nc(n1)N	GD-id_ZINC49435730	342.419	MDVVPUPKRAZNKX-SNVBAGLBSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070227
O=c1cccnn1CC1CN(Cc2nccs2)Cc2nccn2C1	EMOLS-id_44326571	342.419	PQUGNCFGFITOAS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070228
O=c1cccnn1C[C@H]1CN(Cc2nccs2)Cc2nccn2C1	ZINC22_96188728,PC-id_97463161	342.419	PQUGNCFGFITOAS-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070229
O=c1cccnn1C[C@@H]1CN(Cc2nccs2)Cc2nccn2C1	ZINC22_96188729,PC-id_97463162	342.419	PQUGNCFGFITOAS-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070230
O=C(c1cnc2c(c1)nnn2C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110959796	342.419	IVNBKYIFEMSWGV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070231
O=C(c1nc2n(n1)c(C)ccn2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110651292	342.419	MHGCQUJQVSINKJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070232
O=C(Cc1cccc2c1nsn2)NCc1nnc2n1CCCCC2	EMOLS-id_319287545	342.419	SZMQJQFEZIEKJM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070233
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)c1csc(n1)c1[nH]cnc1	EMOLS-id_320231749,MCULE-7555101709	342.419	GDKHMOYWHAGPLN-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-070234
O=C(N1CCc2n(CC1)c(cn2)Cn1cncn1)Cc1cccs1	PC-id_97467148	342.419	PMZXEHLGDNTTAT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070235
O=C(NCCc1nc2ccccc2s1)[C@@H]1CCCCn2nnnc12	ZINC22_299762172	342.419	LNZRFSKELBHUAA-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070236
O=C(NCCc1nc2ccccc2s1)[C@H]1CCCCn2nnnc12	ZINC22_299762174	342.419	LNZRFSKELBHUAA-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-070237
OCC[C@H](NCc1nnc2n1CCCCC2)C1CCC(F)(F)CC1	ZINC22_2325790818	342.427	NMKUBVBRPCBGRG-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070238
OCC[C@@H](NCc1nnc2n1CCCCC2)C1CCC(F)(F)CC1	ZINC22_2325790819	342.427	NMKUBVBRPCBGRG-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070239
CCOC(C(F)(F)F)(c1ccc2-c(cc1)ccc2)O[Si](C)(C)C	PC-id_101791687	342.428	APQCYBRYBBYJSI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070240
Cc1ccc([C@H](C)C(=O)OCOC(=O)C(C)(C)C)cc2-c1ccc2C	CHEMBL496071,PC-id_11842694	342.429	XHCYTHOYYSWUAS-HNNXBMFYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070241
CCOC(=O)c1cc(c2-c1ccc(cc2)CC(=O)OC)CCC(C)C	PC-id_141580552	342.429	QLOYSYJIKYSAJU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070242
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCCOC(=O)C	PC-id_101676362	342.429	TYSRUMPBMLHCAR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070243
o1c2CC(CCC#CC(O)CC(=Cc1cc2C(=O)OCC)C)C(=C)C	PC-id_74822738	342.429	BBZJBHOCXOHBFE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-070244
o1c2CC(CCC#CC(OC(=O)OC)CC(=Cc1cc2C)C)C(=C)C	PC-id_74821565	342.429	CAYWDSJABZELKY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-070245
o1c2C[C@H](CCC#C[C@H](O)C/C(=C/c1cc2C(=O)OCC)/C)C(=C)C	PC-id_10893259	342.429	BBZJBHOCXOHBFE-JBAYFQIUSA-N	00000000100000000110000000000010000000000000000000000000	31-01-070246
o1c2C[C@H](CCC#C[C@@H](OC(=O)OC)C/C(=C/c1cc2C)/C)C(=C)C	PC-id_10593414	342.429	CAYWDSJABZELKY-WSAUZFIISA-N	00000000100000000110000000000010000000000000000000000000	31-01-070247
O(C(=O)C(C)(C)C)COC(=O)C(c1cc2-c(c(cc1)C)ccc2C)C	PC-id_73122657	342.429	XHCYTHOYYSWUAS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070248
c1(NC(=O)CCc2ccc(cc2)F)sc2c(CCCCC2)c1C#N	TIMTEC605395,MCULE-4558069521,EMOLS-id_8867465,ZINC22_20607764,PC-id_19590984	342.43	ZVELORXPYZQKPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070249
C[C@@]([C@](c1ccc2-c1ccccc2)(O)C)(c1ccc2-c1ccccc2)O	PC-id_101787873	342.43	ZKLOLHBKBWENBU-ZEQRLZLVSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070250
C[C@]([C@@](c1ccc2-c1ccccc2)(O)C)(c1ccc2-c1ccccc2)O	PC-id_101787874	342.43	ZKLOLHBKBWENBU-DNQXCXABSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070251
CC(C(c1ccc2-c1ccccc2)(O)C)(c1ccc2-c1ccccc2)O	PC-id_139247885	342.43	ZKLOLHBKBWENBU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070252
s1c2CCCCCCc2cc1C(=O)NC(c1c(F)cccc1)C#N	PC-id_56515138	342.43	UMPWSYDRUFXRCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070253
c1(C(=O)c2ccc(cc2)OCCC(C)C)n(O)c2c(CCCCC2)n1	EMOLS-id_4685304,ZINC22_2333993,MCULE-5215966492,ChEMBL-DNDi_CHEMBL6970-0065,STOCK5S-50437,PC-id_4892913,CoCoCo_1879476	342.432	WHNQXYNYOAJMEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070254
c1(C(=O)c2ccc(cc2)OCCCCC)n(O)c2c(CCCCC2)n1	PC-id_4454606,ChEMBL-DNDi_CHEMBL6970-0064,CoCoCo_1879475,MCULE-4962378138,EMOLS-id_8589578,ZINC22_3656273	342.432	KNYWLSWJVDTTRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070255
CCc1cc2n(c1C(=O)c1[nH]ccc1)CCCCC2C(=O)OC(C)C	SCHEMBL11194114,PC-id_70534164	342.432	DAUZWVJVYOMKBL-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-070256
CCCCc1cc2n(c1C(=O)c1cccn1C)CCCCC2C(=O)O	SCHEMBL11202194,PC-id_70536356	342.432	OJRNEIWDCNATEK-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-070257
CCCCn1cccc1C(=O)c1c(C)cc2n1CCCCC2C(=O)O	PC-id_70536323,SCHEMBL11202094	342.432	ZDPNFOCOKPZCAG-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-070258
CCCCOC(=O)C1CCCCn2c1ccc2C(=O)c1cccn1C	SCHEMBL11203515,PC-id_70536797	342.432	ZVSCFSSZYJQIDK-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-070259
CCCCOC(=O)c1oc2c(c1N)CCN(CC2)Cc1ccccc1	PC-id_20481347,SCHEMBL11179716	342.432	WGTYRSNBTKEMKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070260
CCCn1cccc1C(=O)c1c(CC)cc2n1CCCCC2C(=O)O	SCHEMBL11195373,PC-id_70534440	342.432	WOAJZTNTQZOGLD-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-070261
CCn1cccc1C(=O)c1ccc2n1CCCCC2C(=O)OC(C)C	SCHEMBL11202516,PC-id_70536459	342.432	LOLKOIYHRZFQRL-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-070262
CCOc1cccc(c1)C(=O)N1CC(CCOC)Cn2cccc2C1	EMOLS-id_313837095	342.432	FTGDMVABNGPBGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070263
CCOc1cccc(C(=O)N2Cc3cccn3C[C@H](CCOC)C2)c1	ZINC22_585095105	342.432	FTGDMVABNGPBGK-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070264
CCOc1cccc(C(=O)N2Cc3cccn3C[C@@H](CCOC)C2)c1	ZINC22_585095106	342.432	FTGDMVABNGPBGK-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070265
CC(OC(=O)C1CCCC(n2c1cc(c2)C)C(=O)c1cccn1C)C	PC-id_70536529,SCHEMBL11202706	342.432	FMJQEHODENYKDV-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-070266
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1cccn1C)C)C	PC-id_145799206	342.432	OAFUPDMFWJFXGJ-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-070267
COCCC1CN(Cc2cccn2C1)C(=O)Cc1cccc(OC)c1	EMOLS-id_313836329	342.432	ZBCONBGCCZEUCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070268
COCCC1CN(Cc2cccn2C1)C(=O)Cc1ccc(OC)cc1	EMOLS-id_313838377	342.432	OMGXWEXMODTXNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070269
COCCC1CN(Cc2cccn2C1)C(=O)CCOc1ccccc1	EMOLS-id_313837607	342.432	HBCLRMPTUIWTIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070270
COCCC1CN(Cc2cccn2C1)C(=O)COc1ccc(C)cc1	EMOLS-id_313837351	342.432	AMEYDNTUGPNYTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070271
COCC[C@@H]1CN(C(=O)Cc2cccc(OC)c2)Cc2cccn2C1	ZINC22_585095583	342.432	ZBCONBGCCZEUCW-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070272
COCC[C@H]1CN(C(=O)Cc2cccc(OC)c2)Cc2cccn2C1	ZINC22_585095584	342.432	ZBCONBGCCZEUCW-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070273
COCC[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)Cc2cccn2C1	ZINC22_585095301	342.432	OMGXWEXMODTXNH-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070274
COCC[C@H]1CN(C(=O)Cc2ccc(OC)cc2)Cc2cccn2C1	ZINC22_585095302	342.432	OMGXWEXMODTXNH-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070275
COCC[C@@H]1CN(C(=O)CCOc2ccccc2)Cc2cccn2C1	ZINC22_585095122	342.432	HBCLRMPTUIWTIS-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070276
COCC[C@H]1CN(C(=O)CCOc2ccccc2)Cc2cccn2C1	ZINC22_585095125	342.432	HBCLRMPTUIWTIS-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070277
COCC[C@@H]1CN(C(=O)COc2ccc(C)cc2)Cc2cccn2C1	ZINC22_585095027	342.432	AMEYDNTUGPNYTB-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070278
COCC[C@H]1CN(C(=O)COc2ccc(C)cc2)Cc2cccn2C1	ZINC22_585095028	342.432	AMEYDNTUGPNYTB-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070279
s1c2CCCCCc2cc1C(=O)NC(Cc1ccccc1)C(=O)[O-]	PC-id_74749938	342.432	OGDPWNWLAYZPKA-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-070280
s1c2CCCCCc2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	PC-id_41156960	342.432	OGDPWNWLAYZPKA-HNNXBMFYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-070281
s1c2CCCCCc2cc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	PC-id_41156963	342.432	OGDPWNWLAYZPKA-OAHLLOKOSA-M	00000000100000110100000000000010000000000000000000000000	31-01-070282
c12CN(CCCn1nc(C)c2)CC(=O)NCCc1ccccc1OC	MCULE-2468446832,ZINC22_65501766,EMOLS-id_32428506,PC-id_50980077	342.435	HRWDHQNAJDAGMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070283
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)Cc1ccc(C)o1	PC-id_72909077,MCULE-3298709391,EMOLS-id_46076781,ZINC22_91807820	342.435	OSUPOZUZKSQOMI-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-070284
c1ccc(COC[C@@H]2CN(C[C@@H]3CCOC3)Cc3ccnn3C2)nc1	PC-id_97367712,ZINC22_96044202	342.435	MRVOFLPJMVKBNV-DLBZAZTESA-N	00000010100000101101000000000010000000000000000000000000	31-01-070285
c1ccc(COC[C@@H]2CN(C[C@H]3CCOC3)Cc3ccnn3C2)nc1	ZINC22_107722324,PC-id_98812517	342.435	MRVOFLPJMVKBNV-IAGOWNOFSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070286
c1ccc(COC[C@H]2CN(C[C@H]3CCOC3)Cc3ccnn3C2)nc1	ZINC22_253588653	342.435	MRVOFLPJMVKBNV-SJORKVTESA-N	00000010100000101101000000000010000000000000000000000000	31-01-070287
c1ccc(COC[C@H]2CN(C[C@@H]3CCOC3)Cc3ccnn3C2)nc1	ZINC22_96044201	342.435	MRVOFLPJMVKBNV-IRXDYDNUSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070288
c1ccc(COC[C@@H]2CN(C[C@H]3CCOC3)Cc3nccn3C2)nc1	PC-id_98777636,ZINC22_107209061	342.435	CIPQPPFWMORJAI-IAGOWNOFSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070289
c1ccc(COC[C@H]2CN(C[C@H]3CCOC3)Cc3nccn3C2)nc1	ZINC22_253588438	342.435	CIPQPPFWMORJAI-SJORKVTESA-N	00000010100000101101000000000010000000000000000000000000	31-01-070290
c1ccc(COC[C@H]2CN(C[C@@H]3CCOC3)Cc3nccn3C2)nc1	ZINC22_96188136	342.435	CIPQPPFWMORJAI-IRXDYDNUSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070291
c1ccc(COC[C@@H]2CN(C[C@@H]3CCOC3)Cc3nccn3C2)nc1	ZINC22_96188137,PC-id_97462581	342.435	CIPQPPFWMORJAI-DLBZAZTESA-N	00000010100000101101000000000010000000000000000000000000	31-01-070292
c1(CN(C)Cc2ccc(cc2)OCC(=O)N)c2CCCCCc2[nH]n1	EMOLS-id_49889081,ZINC22_216005678,MCULE-4108855431,PC-id_77091587	342.435	AKTZLVQEZKXLNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070293
c1cncc(COC[C@@H]2CN(C[C@@H]3CCOC3)Cc3ccnn3C2)c1	PC-id_97463570,ZINC22_96189159	342.435	UWMPUQWVSONOTM-ZWKOTPCHSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070294
c1cncc(COC[C@@H]2CN(C[C@H]3CCOC3)Cc3ccnn3C2)c1	ZINC22_107210901,PC-id_98777710	342.435	UWMPUQWVSONOTM-QZTJIDSGSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070295
c1cncc(COC[C@H]2CN(C[C@H]3CCOC3)Cc3ccnn3C2)c1	ZINC22_253588825	342.435	UWMPUQWVSONOTM-MSOLQXFVSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070296
c1cncc(COC[C@H]2CN(C[C@@H]3CCOC3)Cc3ccnn3C2)c1	ZINC22_96189158	342.435	UWMPUQWVSONOTM-ROUUACIJSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070297
c1cncc(CO[C@H]2CN(CC3CCOCC3)Cc3ccnn3C2)c1	ZINC22_253588492	342.435	FKWYFTTYHBEJKT-IBGZPJMESA-N	00000000100010101101000000000010000000000000000000000000	31-01-070298
c1cncc(CO[C@@H]2CN(CC3CCOCC3)Cc3ccnn3C2)c1	ZINC22_253588493	342.435	FKWYFTTYHBEJKT-LJQANCHMSA-N	00000000100010101101000000000010000000000000000000000000	31-01-070299
c1cncc(OC[C@H]2CN(CC3CCOCC3)Cc3cncn3C2)c1	PC-id_97477313,ZINC22_96209186	342.435	GNIODPXFKWQIRB-KRWDZBQOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-070300
c1cncc(OC[C@@H]2CN(CC3CCOCC3)Cc3cncn3C2)c1	PC-id_97477314,ZINC22_96209187	342.435	GNIODPXFKWQIRB-QGZVFWFLSA-N	00000000100010101101000000000010000000000000000000000000	31-01-070301
c1(C(O)C2CCC2)cc2n(CCCN(C(=O)c3ccc(CC)[nH]3)C2)n1	PC-id_91766608,MCULE-3090548183,EMOLS-id_55621380	342.435	KNGOONLEHCIXJB-UHFFFAOYSA-N	00001000110000000101000000000010000000000000000000000000	31-01-070302
c1(C(=O)N(C)CCC(O)c2ccccc2)cc2n(CCCN(C)C2)n1	PC-id_50967489,MCULE-6715791641,EMOLS-id_32404812	342.435	ZNDQQZCATQYMBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070303
Cc1ccccc1OCCCC(=O)NCc1nnc2n1CCCCC2	PC-id_40143453,EMOLS-id_24047423,MCULE-5804484724,CoCoCo_4660764,ZINC22_32906892	342.435	KRXYKQZYHHPZBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070304
Cc1ccccc1OCCC(=O)N[C@@H](C)c1nnc2n1CCCCC2	PC-id_97072960,ZINC22_89696720	342.435	LLRVAIIIPILPEV-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070305
Cc1ccccc1OCCC(=O)N[C@H](C)c1nnc2n1CCCCC2	PC-id_97072961,ZINC22_89696721	342.435	LLRVAIIIPILPEV-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070306
Cc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@H]1CN(C)C	ZINC22_585096700	342.435	ASDRFSCWLGDQGU-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070307
Cc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C	ZINC22_585096701	342.435	ASDRFSCWLGDQGU-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070308
Cc1cccc(C)c1OCCC(=O)NCc1nnc2n1CCCCC2	EMOLS-id_35700250,PC-id_53502881,ZINC22_46164068,MCULE-5681314775	342.435	DYQLHJBMNGCGBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070309
Cc1cccc(C)c1OCC(=O)NCCc1nnc2n1CCCCC2	ZINC22_48374039,MCULE-1276365505,PC-id_47016861,EMOLS-id_30754889	342.435	KWQGQYZRAQSWMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070310
Cc1ccc(C)c(OCC(=O)N[C@H](C)c2nnc3n2CCCCC3)c1	ZINC22_29901304	342.435	AOOZYCWRNNSTSP-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070311
Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2nnc3n2CCCCC3)c1	ZINC22_29901306	342.435	AOOZYCWRNNSTSP-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070312
Cc1ccc(CN2CCc3ncc(CNC(=O)C4CCC4)n3CC2)o1	EMOLS-id_44329049,ZINC22_96197062,PC-id_97467206	342.435	HNNZHECIQMZFTJ-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-070313
Cc1cccc(OCCC(=O)NCc2nnc3n2CCCCC3)c1C	ZINC22_45319064,EMOLS-id_35697666,MCULE-8033909161,PC-id_53501973	342.435	KDUNFZIWIRVUPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070314
Cc1cccc(OCC(=O)N[C@H](C)c2nnc3n2CCCCC3)c1C	ZINC22_29900358	342.435	CSYQEIDGGBHQEM-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070315
Cc1cccc(OCC(=O)N[C@@H](C)c2nnc3n2CCCCC3)c1C	ZINC22_29900361	342.435	CSYQEIDGGBHQEM-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070316
Cc1cccc(O[C@@H](C)C(=O)NCc2nnc3n2CCCCC3)c1C	PC-id_93615857,ZINC22_40523505,CoCoCo_4881602	342.435	DNLHJVKCGGKRCL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070317
Cc1cccc(O[C@H](C)C(=O)NCc2nnc3n2CCCCC3)c1C	ZINC22_40523508,CoCoCo_4881601,PC-id_93615859	342.435	DNLHJVKCGGKRCL-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070318
Cc1cc(CN2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)no1	ZINC22_585099171	342.435	RETCEAPNCGOFOK-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070319
Cc1cc(CN2Cc3cccn3C[C@H](CC(=O)NCC3CC3)C2)no1	ZINC22_585099172	342.435	RETCEAPNCGOFOK-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070320
Cc1cc(CN2CC(CC(=O)NCC3CC3)Cn3cccc3C2)no1	EMOLS-id_313814051	342.435	RETCEAPNCGOFOK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070321
Cc1ccc(NC(=O)N2CCCn3cnc(COC(C)C)c3C2)cc1	PC-id_97405866,EMOLS-id_46183117,ZINC22_96085048	342.435	HUTBCISBUHAXOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070322
Cc1ccc(o1)C1CCCCCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319175677	342.435	VHHXXGQFOSJYPF-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-070323
Cc1ccc(OCCC(=O)NCc2nnc3n2CCCCC3)cc1C	EMOLS-id_35695766,PC-id_53502112,MCULE-8934646142,ZINC22_44679802	342.435	OEBYHKBXLZNIIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070324
Cc1ccc(OCCC(=O)NCc2nnc3n2CCCCC3)c(C)c1	MCULE-5246272659,PC-id_71898082,ZINC22_89614269,EMOLS-id_45748770	342.435	RAUJRXDHBGKWLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070325
Cc1ccc(OCC(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)cc1	ZINC22_585098146	342.435	UXGZJSZZPYLHRY-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070326
Cc1ccc(OCC(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)cc1	ZINC22_585098147	342.435	UXGZJSZZPYLHRY-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070327
Cc1ccc(OCC(=O)NCCc2nnc3n2CCCCC3)c(C)c1	EMOLS-id_31363329,ZINC22_54450899,PC-id_47016863,MCULE-6991301648	342.435	POOHQOQYJAWBQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070328
Cc1ccc(OCC(=O)N[C@H](C)c2nnc3n2CCCCC3)c(C)c1	ZINC22_29899245	342.435	CWAGNOWYJWJTBL-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070329
Cc1ccc(OCC(=O)N[C@@H](C)c2nnc3n2CCCCC3)c(C)c1	ZINC22_29899249	342.435	CWAGNOWYJWJTBL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070330
Cc1ccnc(OC2CN(CC3CCOCC3)Cc3cccn3C2)n1	EMOLS-id_50014240	342.435	MXZZMPYWJVRTJL-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-070331
Cc1ccnc(O[C@@H]2CN(CC3CCOCC3)Cc3cccn3C2)n1	ZINC22_253478752	342.435	MXZZMPYWJVRTJL-GOSISDBHSA-N	00000000100010100101000000000010000000000000000000000000	31-01-070332
Cc1ccnc(O[C@H]2CN(CC3CCOCC3)Cc3cccn3C2)n1	ZINC22_253478753	342.435	MXZZMPYWJVRTJL-SFHVURJKSA-N	00000000100010100101000000000010000000000000000000000000	31-01-070333
Cc1cc(nn1C1CCCCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_99656494	342.435	KHSBKXJNFMDMKF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-070334
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(o1)CN1CCCCC1	EMOLS-id_319982057,MCULE-3707201897	342.435	XXWICUJGIJDRHB-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-070335
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCn1c(C)cc(=O)cc1C	EMOLS-id_319290915	342.435	FKBWMPIOXUJULL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070336
CC1CN(CC(=O)N(C2CC2)Cc2ccc(o2)C)Cc2c(C1)[nH]nc2	EMOLS-id_319720105	342.435	RHDSDSJZBOOZCN-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-070337
CC1Nc2ccnn2C(C1CCC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_319789561	342.435	QUQUXNIQFSMUHX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070338
Cc1noc(C)c1CN1Cc2cccn2C[C@@H](C(=O)NCC2CC2)C1	ZINC22_251987215	342.435	HUBWEDOYAPKIFU-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070339
Cc1noc(C)c1CN1Cc2cccn2C[C@H](C(=O)NCC2CC2)C1	ZINC22_251987221	342.435	HUBWEDOYAPKIFU-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070340
Cc1noc(C)c1CN1CC(Cn2cccc2C1)C(=O)NCC1CC1	EMOLS-id_50013896	342.435	HUBWEDOYAPKIFU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070341
Cc1oc(c(c1)C(=O)N1CCCn2c(C1)c(nc2)CN1CCCC1)C	PC-id_97519383	342.435	OIYBKZFTAZKDDQ-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-070342
CCc1cccc(CC)c1NC(=O)Cn1nc2n(c1=O)CCCCC2	CoCoCo_4406380,ZINC22_29251668,EMOLS-id_24043830,PC-id_36438255,MCULE-3971498152	342.435	PPOYHJRCKXUDFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070343
CCc1ccc(CNC(=O)C2CCc3nn(CC)c(=O)n3CC2)cc1	MCULE-3425497118,EMOLS-id_207877056	342.435	UYISTLMEGKGNGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070344
CCc1ccc(C(=O)N2CCCn3nc([C@H](O)C4CCC4)cc3C2)[nH]1	PC-id_100030497,ZINC22_218959185	342.435	KNGOONLEHCIXJB-GOSISDBHSA-N	00001000110000000101000000000010000000000000000000000000	31-01-070345
CCc1ccc(C(=O)N2CCCn3nc([C@@H](O)C4CCC4)cc3C2)[nH]1	ZINC22_218959145,PC-id_100030495	342.435	KNGOONLEHCIXJB-SFHVURJKSA-N	00001000110000000101000000000010000000000000000000000000	31-01-070346
CC(c1coc(n1)[C@@H]1CCCN1C(=O)c1cnc2n1CCCCC2)C	EMOLS-id_318941291	342.435	VDQRLGLDBTXLOB-HNNXBMFYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-070347
CC(c1coc(n1)[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCCCC2)C	MCULE-1733501836,EMOLS-id_319968123	342.435	HPJBZCBIKJUSIT-INIZCTEOSA-N	00000010100000000101100000000010000000000000000000000000	31-01-070348
CC(C)c1ccc(O)c(C(=O)NCCc2nnc3n2CCCCC3)c1	ZINC22_58304628,MCULE-5923037055,PC-id_51102821,EMOLS-id_32152371	342.435	WKIYPAHCJGICLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070349
CCC(c1nnc2n1CCCCC2)NC(c1ccc2c(c1)OCO2)C	EMOLS-id_318236577	342.435	SZPGRECYYZRXLG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070350
CC(C)[C@H]1COCn2c(cnn2)CC[C@@H](C(=O)N1)Cc1ccccc1	PC-id_134828902	342.435	ADLJLGXRUSRGBZ-SJLPKXTDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070351
CC(C)[C@H](O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	PC-id_95211666,ZINC22_67789567	342.435	NINJNWGRTKQSMA-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070352
CC(C)[C@@H](O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	ZINC22_67789570,PC-id_95211667	342.435	NINJNWGRTKQSMA-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070353
CCCCOc1cccc(c1)CNC(=O)C1CCn2c(CC1)nnc2	MCULE-8865627988,EMOLS-id_320171067	342.435	XDQOFONJPVJPKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070354
CCCCOc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1	MCULE-3975313947,CoCoCo_4336648,EMOLS-id_16785982,PC-id_17536558,ZINC22_12764729	342.435	NFGZYVVDVHUXJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070355
CC(C)C(O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	PC-id_56715675,EMOLS-id_36451629,MCULE-6951245398	342.435	NINJNWGRTKQSMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070356
CC[C@H](N(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1)CO	EMOLS-id_278776666	342.435	NVPJWFWGCDLRJX-DJNXLDHESA-N	00000000100000110101000000000010000000000000000000000000	31-01-070357
CCCOc1cccc(c1)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316667221	342.435	NCMNRVVQRYTWFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070358
CCCOc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1	PC-id_47016864,ZINC22_48304062,MCULE-9919368805,EMOLS-id_30697166	342.435	HYVYEGLHHBSQFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070359
CCCOCc1ccccc1CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319352037	342.435	KTEPSTGPWVYDOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070360
CC(C)OCc1ncn2c1CN(C(=O)NCc1ccccc1)CCC2	ZINC22_96259934,PC-id_97520014,EMOLS-id_44371404	342.435	QBAJCDCQDNMIQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070361
CC(C(=O)NC(c1nnc2n1CCCCC2)C)OCc1ccccc1	PC-id_53506308,EMOLS-id_35704836,MCULE-9693904216	342.435	HSCVTTOWHVPILI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070362
CC(C(=O)NCc1nnc2n1CCCCC2)Oc1cccc(c1C)C	MCULE-9891515303,EMOLS-id_31937722,PC-id_45819477	342.435	DNLHJVKCGGKRCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070363
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2nnc3n2CCCCC3)o1	CoCoCo_4336693,PC-id_93606925,ZINC22_40475436	342.435	XOBHEUXNIIXSBP-UKRRQHHQSA-N	00100000101000000101100000000010000000000000000000000000	31-01-070364
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2nnc3n2CCCCC3)o1	CoCoCo_4336694,ZINC22_40475433,PC-id_93606924	342.435	XOBHEUXNIIXSBP-ZFWWWQNUSA-N	00100000101000000101100000000010000000000000000000000000	31-01-070365
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2nnc3n2CCCCC3)o1	PC-id_93606923,CoCoCo_4336692,ZINC22_40475432	342.435	XOBHEUXNIIXSBP-HIFRSBDPSA-N	00100000101000000101100000000010000000000000000000000000	31-01-070366
C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2nnc3n2CCCCC3)o1	ZINC22_40475437,PC-id_93606926,CoCoCo_4336691	342.435	XOBHEUXNIIXSBP-DZGCQCFKSA-N	00100000101000000101100000000010000000000000000000000000	31-01-070367
C[C@@H]([C@H](C(=O)N1CCCc2c(C1)cnn2C)N)OCc1ccccc1	MCULE-6853592476,EMOLS-id_316381924	342.435	QLTWGMJCDCEWTI-KBXCAEBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070368
C[C@H](NC(=O)CCCOc1ccccc1)c1nnc2n1CCCCC2	PC-id_94069848,ZINC22_45897594	342.435	ZUVBANAHJSNFDN-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070369
C[C@@H](NC(=O)CCCOc1ccccc1)c1nnc2n1CCCCC2	ZINC22_45897595,PC-id_94069849	342.435	ZUVBANAHJSNFDN-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070370
C[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1nnc2n1CCCCC2	PC-id_93832198,ZINC22_42040878	342.435	HSCVTTOWHVPILI-LSDHHAIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070371
C[C@@H](OCc1ccccc1)C(=O)N[C@H](C)c1nnc2n1CCCCC2	PC-id_93832200,ZINC22_42040881	342.435	HSCVTTOWHVPILI-HUUCEWRRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070372
C[C@H](OCc1ccccc1)C(=O)N[C@H](C)c1nnc2n1CCCCC2	PC-id_93832204,ZINC22_42040887	342.435	HSCVTTOWHVPILI-CABCVRRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-070373
C[C@H](OCc1ccccc1)C(=O)N[C@@H](C)c1nnc2n1CCCCC2	ZINC22_42040884,PC-id_93832202	342.435	HSCVTTOWHVPILI-GJZGRUSLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070374
CCn1ccnc1C1CCCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_111824803	342.435	XTWVSCOIUJDWRB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-070375
CC(n1ncc2c1CC(CC2)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_100392704	342.435	DDFBMWSNCCEGOP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070376
CCN(C(=O)Cn1nc2n(c1=O)CCCCC2)c1ccc(C)cc1C	ZINC22_75445671,EMOLS-id_53750137,MCULE-7703251339,PC-id_95997027	342.435	CDRRALKVCYOOHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070377
CC(NC(=O)Cn1nc2n(c1=O)CCCCC2)CCc1ccccc1	EMOLS-id_318410809	342.435	GVTSTDSJYNJUDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070378
CCOc1cc2c(cc1NCc1nnc3n1CCCCC3)O[C@H](C)C2	ZINC22_253431218	342.435	GNIFQOZNFAODJH-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070379
CCOc1cc2c(cc1NCc1nnc3n1CCCCC3)O[C@@H](C)C2	ZINC22_253431222	342.435	GNIFQOZNFAODJH-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070380
CCOc1cc2CC(Oc2cc1NCc1nnc2n1CCCCC2)C	PC-id_121535068,EMOLS-id_73049548,MCULE-4180957374	342.435	GNIFQOZNFAODJH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070381
CCOc1ccc(cc1)CC(=O)NC(c1nnc2n1CCCCC2)C	EMOLS-id_45749427,PC-id_71897661	342.435	URCOTTUGWRCAKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070382
CCOc1ccccc1CN1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_50585775,MCULE-7005109892,PC-id_91910679	342.435	LFCRNFUFXUSFSE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-070383
CC(Oc1cccc(c1)C(NC(=O)C1CCn2c(CC1)nnc2)C)C	EMOLS-id_319565614	342.435	ARLYBYWXPHNFQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070384
CCOc1ccccc1C(NC(=O)C1CCn2c(CC1)nnc2)CC	EMOLS-id_319964096,MCULE-9549884836	342.435	OCFVJPSVQRWFMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070385
CCOc1cccc(c1)C(=O)N1CC(CN(C)C)Cn2nccc2C1	EMOLS-id_55739982	342.435	WCWALUZQLYKBAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070386
CCOc1ccccc1NC(=O)C(N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319327880	342.435	YIPOMHXJKRZZFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070387
CCOc1ccc(cc1)NC(=O)C(N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319778356	342.435	NCPXQTTWSLPFNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070388
CCOc1cccc(C(=O)N2Cc3ccnn3C[C@@H](CN(C)C)C2)c1	ZINC22_306141647	342.435	WCWALUZQLYKBAY-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070389
CCOc1cccc(C(=O)N2Cc3ccnn3C[C@H](CN(C)C)C2)c1	ZINC22_306141648	342.435	WCWALUZQLYKBAY-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070390
CCOc1ccc(CC(=O)N(C)C2CCc3nnc(C)n3CC2)cc1	MCULE-4570281967,PC-id_91922633,EMOLS-id_50590446	342.435	SXFLKYHUPIBSRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070391
CC(OCc1ncn2c1CN(CCC2)C(=O)Nc1ccccc1C)C	PC-id_97520015	342.435	WIYLXLWLNCJTOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070392
Cn1cccc1C(=O)N1Cc2ccnn2C[C@@H](OCC2CCCC2)C1	ZINC22_248087457	342.435	BNZABRNOTBVDOF-KRWDZBQOSA-N	00000010110000000101000000000010000000000000000000000000	31-01-070393
Cn1cccc1C(=O)N1Cc2ccnn2C[C@H](OCC2CCCC2)C1	ZINC22_248087463	342.435	BNZABRNOTBVDOF-QGZVFWFLSA-N	00000010110000000101000000000010000000000000000000000000	31-01-070394
Cn1cccc1C(=O)N1CC(Cn2nccc2C1)OCC1CCCC1	EMOLS-id_50015422	342.435	BNZABRNOTBVDOF-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-070395
CN1CCCn2nc(C(=O)N(C)CC[C@H](O)c3ccccc3)cc2C1	PC-id_95130250,ZINC22_65417110	342.435	ZNDQQZCATQYMBK-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070396
CN1CCCn2nc(C(=O)N(C)CC[C@@H](O)c3ccccc3)cc2C1	PC-id_95130251,ZINC22_65417111	342.435	ZNDQQZCATQYMBK-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070397
CN(Cc1ccco1)Cc1cnc2CCN(CCn12)C(=O)CC1CC1	ZINC22_96197095,PC-id_97467238,EMOLS-id_44329111	342.435	IFIXZOGQUJMGMB-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-070398
CN(Cc1ccco1)C[C@H]1CN(C(=O)CC2CC2)Cc2nccn2C1	PC-id_97389447,ZINC22_96067128	342.435	VGCJVFKSPXXBLQ-MRXNPFEDSA-N	00100000101000000101000000000010000000000000000000000000	31-01-070399
CN(Cc1ccco1)C[C@@H]1CN(C(=O)CC2CC2)Cc2nccn2C1	ZINC22_96067129,PC-id_97389448	342.435	VGCJVFKSPXXBLQ-INIZCTEOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-070400
CN(CC1CN(Cc2nccn2C1)C(=O)CC1CC1)Cc1ccco1	EMOLS-id_46160755	342.435	VGCJVFKSPXXBLQ-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-070401
CN(C)CC1CCn2nccc2CN1C(=O)COc1ccccc1C	EMOLS-id_313817644	342.435	ASDRFSCWLGDQGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070402
CN(C)CC1CCn2nccc2CN1C(=O)COc1ccc(C)cc1	EMOLS-id_313817388	342.435	UXGZJSZZPYLHRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070403
CN(C)CC1CN(Cc2ccnn2C1)C(=O)CCOc1ccccc1	EMOLS-id_50374511	342.435	PYHODYKNBJKLEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070404
CN(C)C[C@H]1CN(C(=O)CCOc2ccccc2)Cc2ccnn2C1	ZINC22_248129780	342.435	PYHODYKNBJKLEP-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070405
CN(C)C[C@@H]1CN(C(=O)CCOc2ccccc2)Cc2ccnn2C1	ZINC22_248129784	342.435	PYHODYKNBJKLEP-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070406
CN(C)CCOc1ccc(NC(=O)c2[nH]nc3CCCCCc23)cc1	ZINC22_190378694,MCULE-3077029824,STOCK7S-57510,PC-id_121240744,EMOLS-id_104681871,EMOLS-id_93425515,SPECS-id_AO-022/43512851	342.435	YLJQPKQOPGZDGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070407
COc1cc2c(cc1CNCc1nnc3n1CCCCC3)O[C@@H](C)C2	CoCoCo_3923817,ZINC22_39976555,PC-id_51923169	342.435	GAFUIIPOIUNODH-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070408
COc1cc2c(cc1CNCc1nnc3n1CCCCC3)O[C@H](C)C2	PC-id_51923167,CoCoCo_3923816,ZINC22_39976551	342.435	GAFUIIPOIUNODH-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070409
COc1cc2CC(Oc2cc1CNCc1nnc2n1CCCCC2)C	MCULE-7850187750,PC-id_45844202	342.435	GAFUIIPOIUNODH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070410
COc1ccccc1CCC(=O)N(C)C1CCc2nnc(C)n2CC1	EMOLS-id_50590438,PC-id_91922631,MCULE-6113802747	342.435	YGDOSWWBIJBKMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070411
COc1ccc(cc1)CCC(=O)NC(c1nnc2n1CCCCC2)C	PC-id_42955757,MCULE-1344091360,EMOLS-id_27406392	342.435	NCHXCGBAIICIOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070412
COc1ccc(cc1)C(CNC(=O)C1CCn2c(CC1)nnc2)(C)C	EMOLS-id_319498095	342.435	JNNCIELKJGFWIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070413
COc1ccccc1CC(NC(=O)C1CCn2c(CC1)nnc2)(C)C	MCULE-8127192311,EMOLS-id_319999164	342.435	ZKKVUFKTXBORQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070414
COc1ccccc1CNC(=O)C(N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319739205	342.435	HZVBXCZRNFRSES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070415
COc1ccc(cc1)CN(C(=O)CN1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319993882,MCULE-9081572481	342.435	XKTWZEBCIZZYGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070416
COc1ccccc1CN(C(=O)CN1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_320143456,MCULE-7760915818	342.435	KYOBVVGKSFPZQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070417
COc1ccc(cc1NC(=O)C1CCn2c(CC1)nnc2)C(C)(C)C	EMOLS-id_316697077	342.435	DUXDIONJGHIXAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070418
COc1ccc(cc1NC(=O)C(N1CC(C)Cc2c(C1)cn[nH]2)C)C	EMOLS-id_319992854,MCULE-5756926648	342.435	GKMJPPDGNFDRCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070419
COc1ccc(CCCC(=O)NCc2cc3CNCCCn3n2)cc1	MCULE-1349123229,EMOLS-id_44424823,PC-id_70708694,ZINC22_82087545	342.435	IHENIOXMFHHNKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070420
COc1cccc(CCC(=O)N(C)C2CCc3nnc(C)n3CC2)c1	EMOLS-id_50590442,MCULE-4695073757,PC-id_91910788	342.435	SZRBBYUOVYQMIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070421
COc1cccc(CC(=O)N2Cc3nccn3C[C@@H](CN(C)C)C2)c1	PC-id_97389232,ZINC22_96066898	342.435	AOPNFKYPWSFZOV-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070422
COc1cccc(CC(=O)N2Cc3nccn3C[C@H](CN(C)C)C2)c1	PC-id_97389233,ZINC22_96066899	342.435	AOPNFKYPWSFZOV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070423
COc1cccc(CC(=O)N2CC(CN(C)C)Cn3ccnc3C2)c1	PC-id_118739509,EMOLS-id_46160515	342.435	AOPNFKYPWSFZOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070424
COc1ccc(CCC(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1	PC-id_37172900,CoCoCo_4807002,ZINC22_29900298	342.435	NCHXCGBAIICIOZ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070425
COc1ccc(CCC(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1	ZINC22_29900302,CoCoCo_4807003,PC-id_37172905	342.435	NCHXCGBAIICIOZ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070426
COc1ccc(CC(=O)N2Cc3nccn3C[C@@H](CN(C)C)C2)cc1	PC-id_97462671,ZINC22_96188228	342.435	JYGTZAYTAXPFNR-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070427
COc1ccc(CC(=O)N2Cc3nccn3C[C@H](CN(C)C)C2)cc1	ZINC22_96188232,PC-id_97462675	342.435	JYGTZAYTAXPFNR-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070428
COc1ccc(CC(=O)N2CC(CN(C)C)Cn3ccnc3C2)cc1	PC-id_118743631,EMOLS-id_44326081	342.435	JYGTZAYTAXPFNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070429
COc1ccc(CN2CCCn3nnc(COCC4CC4)c3C2)cc1	CHEMBL3552117,ZINC22_96058845,PC-id_97381502,EMOLS-id_46147987	342.435	WLELVNSIUWZHLC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-070430
C(Oc1cccnc1)C1CN(CC2CCOCC2)Cc2cncn2C1	EMOLS-id_49232889	342.435	GNIODPXFKWQIRB-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-070431
C(OC1CN(CC2CCOCC2)Cc2ccnn2C1)c1cccnc1	EMOLS-id_50021124	342.435	FKWYFTTYHBEJKT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-070432
COc1ncccc1CN1Cc2cccn2C[C@@H](C(=O)NC(C)C)C1	ZINC22_248033278	342.435	YHLGSPCDLQZFSC-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070433
COc1ncccc1CN1Cc2cccn2C[C@H](C(=O)NC(C)C)C1	ZINC22_248033281	342.435	YHLGSPCDLQZFSC-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070434
COc1ncccc1CN1CC(Cn2cccc2C1)C(=O)NC(C)C	EMOLS-id_50014120	342.435	YHLGSPCDLQZFSC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070435
C(OCc1ccccn1)C1CN(CC2CCOC2)Cc2ccnn2C1	EMOLS-id_46128751	342.435	MRVOFLPJMVKBNV-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070436
C(OCc1ccccn1)C1CN(CC2CCOC2)Cc2nccn2C1	EMOLS-id_44326049	342.435	CIPQPPFWMORJAI-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070437
C(OCc1cccnc1)C1CN(CC2CCOC2)Cc2ccnn2C1	EMOLS-id_44327103	342.435	UWMPUQWVSONOTM-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070438
COCc1nnc2CC(C)N(CCn12)C(=O)CCc1ccccc1C	EMOLS-id_313825577	342.435	OYNYTEWESAMXFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070439
COCc1nnc2n1CCN(C(=O)CCc1ccccc1C)[C@@H](C)C2	ZINC22_585097913	342.435	OYNYTEWESAMXFJ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070440
COCc1nnc2n1CCN(C(=O)CCc1ccccc1C)[C@H](C)C2	ZINC22_585097915	342.435	OYNYTEWESAMXFJ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070441
COCC(=O)NCC1CN(CCc2ccccc2)Cc2ccnn2C1	EMOLS-id_50373307	342.435	GIDNDUACLFVOMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070442
COCC(=O)NC[C@H]1CN(CCc2ccccc2)Cc2ccnn2C1	ZINC22_247816755	342.435	GIDNDUACLFVOMQ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070443
COCC(=O)NC[C@@H]1CN(CCc2ccccc2)Cc2ccnn2C1	ZINC22_247816756	342.435	GIDNDUACLFVOMQ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070444
n1c(CNC(=O)c2ccc(CN3CCCC3)o2)c2c(CCCCC2)[nH]1	MCULE-8847998308,EMOLS-id_222757692,ZINC22_670440504	342.435	HNPXZZMEGUKKIC-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-070445
N#Cc1c(NC(=O)[C@@H]([n+]2cccc(c2)O)C)sc2c1CCCCC2	GD-id_ZINC15455395	342.435	CLBUBECRFJFHRI-LBPRGKRZSA-O	00000000100000101100000000000010000000000000000000000000	31-01-070446
O=C(CC(c1ccccc1)(O)C)NCCc1nnc2n1CCCCC2	PC-id_110024543	342.435	JAGWPZBNLBQYGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070467
o1c(C2C(C2)C)ccc1CCC(=O)NCc1n2CCCCCc2nn1	MCULE-5703536288,PC-id_45799583,EMOLS-id_31859779	342.435	XOBHEUXNIIXSBP-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-070447
O1CCC(CC1)Nc1ccccc1OCc1nnc2n1CCCCC2	EMOLS-id_318891269	342.435	RRBOQVFASWKHHV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-070448
O1C[C@@H](NC(=O)[C@@H](CCc2n(nnc2)C1)Cc1ccccc1)C(C)C	CHEBI:129410,PC-id_54649868	342.435	ADLJLGXRUSRGBZ-FUHWJXTLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070449
O1C[C@H](NC(=O)[C@H](CCc2n(nnc2)C1)Cc1ccccc1)C(C)C	PC-id_54649869,CHEBI:126682	342.435	ADLJLGXRUSRGBZ-AEFFLSMTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070450
O1C[C@@H](NC(=O)[C@H](C(C)C)CCc2n(nnc2)C1)Cc1ccccc1	PC-id_71759790	342.435	YXIFELGPQJYMRC-WMZOPIPTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070451
O1C[C@H](NC(=O)[C@H](C(C)C)CCc2n(nnc2)C1)Cc1ccccc1	PC-id_71760172	342.435	YXIFELGPQJYMRC-AEFFLSMTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070452
O1C[C@H](NC(=O)[C@H](CCn2nnc(C1)c2)Cc1ccccc1)C(C)C	CHEBI:127286,PC-id_54649839	342.435	QOGRSGMMWNTNNL-AEFFLSMTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070453
O1C[C@@H](NC(=O)[C@H](CCn2nnc(C1)c2)Cc1ccccc1)C(C)C	CHEBI:128466,PC-id_54649841	342.435	QOGRSGMMWNTNNL-SJLPKXTDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070454
O1C[C@H](NC(=O)[C@@H](CCn2nnc(C1)c2)Cc1ccccc1)C(C)C	PC-id_54649840,CHEBI:129001	342.435	QOGRSGMMWNTNNL-WMZOPIPTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070455
O1C[C@@H](NC(=O)[C@@H](CCn2nnc(C1)c2)Cc1ccccc1)C(C)C	PC-id_54649842,CHEBI:130498	342.435	QOGRSGMMWNTNNL-FUHWJXTLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070456
O1CC(NC(=O)C(CCc2n(nnc2)C1)Cc1ccccc1)C(C)C	PC-id_76161109	342.435	ADLJLGXRUSRGBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070457
O1CC(NC(=O)C(CCn2nnc(C1)c2)Cc1ccccc1)C(C)C	PC-id_76161097	342.435	QOGRSGMMWNTNNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070458
O=C1CCCN1C[C@@H]1CCn2nccc2CN1C(=O)C1=CCCCC1	ZINC22_585097586	342.435	NAROGBUPTLYHMZ-INIZCTEOSA-N	00000010100011000101000000000010000000000000000000000000	31-01-070459
O=C1CCCN1C[C@H]1CCn2nccc2CN1C(=O)C1=CCCCC1	ZINC22_585097587	342.435	NAROGBUPTLYHMZ-MRXNPFEDSA-N	00000010100011000101000000000010000000000000000000000000	31-01-070460
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(C(C)(C)C)cc1	CoCoCo_4406367,PC-id_17533508	342.435	MSSFOGLJAMUBST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070461
O=C1N(CCc2[nH]c(nc2C1Cc1cc(c(OC)c(c1)C)C)NC)C	PC-id_49837079	342.435	ONFZYZHLUDYWQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070462
O=C(c1cc2c(o1)CCCC2)NCCCc1nnc2n1CCCCC2	EMOLS-id_319334016	342.435	ZBUMXIXBSNRYNP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070463
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(cc1)OC(C)(C)C	EMOLS-id_316635734	342.435	VINBNENNDLNZJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070464
O=C(c1noc2c1CC(C)(C)CC2)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_320100640,MCULE-7805286790	342.435	ICDHDQHYBRNORS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070465
O=C(CC1CC1)NCc1cnc2n1CCN(CC2)Cc1ccc(o1)C	PC-id_97390232	342.435	PJYQQSBTNWXODM-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-070466
O=C(CC(c1ccccc1)O)NCCCc1nnc2n1CCCCC2	PC-id_109955101	342.435	CHIXWLODNMDBRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070468
O=C(CCCOCc1ccccc1)NCc1nnc2n1CCCCC2	MCULE-3994627697,PC-id_49375118,EMOLS-id_36289664,ZINC22_50557803	342.435	BGKFEBMOILTUCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070469
O(CCCC(=O)NCc1n2CCCCCc2nn1)c1ccc(cc1)C	PC-id_51266262	342.435	RIVCHLNEBHRRAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070470
O(CCCC(=O)NCc1n2CCCCCc2nn1)c1cc(ccc1)C	PC-id_51266263	342.435	AKPQJVSQSPHQSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070471
O(CCCC(=O)NCCc1n2CCCCCc2nn1)c1ccccc1	PC-id_51304482	342.435	LMPRXDQJXMZMCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070472
O(CCC(=O)NC(c1n2CCCCCc2nn1)C)c1c(cccc1)C	PC-id_71896205,EMOLS-id_45751072,MCULE-5791890686	342.435	LLRVAIIIPILPEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070473
O(CC(=O)NCc1n2CCCCCc2nn1)c1c(cc(cc1C)C)C	PC-id_51266271	342.435	HDASKGKMFALESK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070474
O(CC(=O)NC(c1n2CCCCCc2nn1)C)c1c(cc(cc1)C)C	EMOLS-id_35688586,PC-id_53503209,MCULE-2197801135	342.435	CWAGNOWYJWJTBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070475
O(CC(=O)NC(c1n2CCCCCc2nn1)C)c1c(c(ccc1)C)C	EMOLS-id_35699510,PC-id_53514601,MCULE-8179435280	342.435	CSYQEIDGGBHQEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070476
O(CC(=O)NC(c1n2CCCCCc2nn1)C)c1c(ccc(c1)C)C	PC-id_53514617,MCULE-4468786989,EMOLS-id_35699520	342.435	AOOZYCWRNNSTSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070477
OC(C(=O)N(Cc1nnc2n1CCCCC2)C)CCc1ccccc1	EMOLS-id_317982278	342.435	KBSNYMCSJNRCGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070478
O(CC(=O)NCCc1n2CCCCCc2nn1)c1cc(c(cc1)C)C	PC-id_60389675	342.435	YZUPXRYGSIEPKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070479
O(CC(=O)NCCc1n2CCCCCc2nn1)c1c(CC)cccc1	PC-id_52181430	342.435	AMJKMDGCCBYVRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070480
O=C(N1Cc2ccnn2CCC1CN1CCCC1=O)C1=CCCCC1	EMOLS-id_313818154	342.435	NAROGBUPTLYHMZ-UHFFFAOYSA-N	00000010100011000101000000000010000000000000000000000000	31-01-070481
O=C(N1CCCc2c(C1)cnn2C)c1ccc(o1)CN1CCCCC1	MCULE-1555273034,EMOLS-id_320278835	342.435	VYAPTYPSJBFKQR-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-070482
O=C(NCc1n2CCCCCc2nn1)CCc1c(OCC)cccc1	PC-id_51266344	342.435	IVAFNIAXSTVPII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070483
O=C(NC(c1n2CCCCCc2nn1)C)CCCOc1ccccc1	EMOLS-id_35699516,PC-id_53514616,MCULE-3754124763	342.435	ZUVBANAHJSNFDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070484
O=C(NCCc1n2CCCCCc2nn1)Cc1c(OC)ccc(c1)C	PC-id_51304514	342.435	BAYMQAPAWGJUSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070485
O=C(NCCc1n2CCCCCc2nn1)CCc1ccc(OC)cc1	PC-id_52181419	342.435	ZCRYPPDNUWSLFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070486
O=C(N(CC(O)(C)C)Cc1ccccc1)C1CCn2c(CC1)nnc2	MCULE-3172808361,EMOLS-id_320119627	342.435	WECMCXFPJLRGJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070487
C1C=Cc2c(C=C1)[nH]cc2CCNc1ccc(cc1)Nc1ccncc1	SCHEMBL19114441	342.437	BXRIUTHFEZMSER-UHFFFAOYSA-N	00000000100000111110000000000010000000000000000000000000	31-01-070488
Cc1nc(CO[C@@H]2CN(S(=O)(=O)C)Cc3ccnn3C2)cs1	ZINC22_248001699	342.437	CJBOEHGODBCSSM-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070489
Cc1nc(CO[C@H]2CN(S(=O)(=O)C)Cc3ccnn3C2)cs1	ZINC22_248001703	342.437	CJBOEHGODBCSSM-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070490
CS(=O)(=O)N(Cc1ccsc1)Cc1nnc2n1CCOCC2	MCULE-8445452821,ZINC22_1615548231,EMOLS-id_320276181	342.437	CFHLFVMWFDVFQX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070491
c12C(CCCCn1nnn2)C(=O)NCCN(C)CCc1ccccc1	EMOLS-id_49669990,PC-id_74245341,MCULE-1053946913	342.439	CLFRHVRQJMQSEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070492
c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)Cc1[nH]ccn1	ZINC22_91547530,MCULE-3470055869,EMOLS-id_46048347,PC-id_72869964	342.439	DYYLNBHXEGNLNF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070493
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)Cc1nccn1C	PC-id_72913419,ZINC22_91847647,EMOLS-id_46080027,MCULE-2946136706	342.439	YPSPQIFVGCQPRG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070494
c12CN(CCCn1nc(CNc1cc(CCC)nc(C)n1)c2)C(=O)C	MCULE-1617201687,PC-id_70783618,ZINC22_82161263,EMOLS-id_44451059	342.439	XSMWREQXYFZHLQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070495
c12CN(CCCn1nc(CNc1c(CC)c(C)nc(C)n1)c2)C(=O)C	PC-id_70764382,MCULE-8647055185,ZINC22_82136858,EMOLS-id_44444335	342.439	KASVNLXSASKOIV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070496
c12CN(CCCn1nc(CNc1cc(C)nc(CCC)n1)c2)C(=O)C	MCULE-7531645145,PC-id_70717941,EMOLS-id_44428117,ZINC22_82096927	342.439	HLZKFOSEJZWNIC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070497
c12CN(CCCn1nc(CNc1ncccc1C(=O)N)c2)CC(C)C	MCULE-1602303713,EMOLS-id_44448513,PC-id_70776378,ZINC22_82148187	342.439	VGKISQVSIMXTHG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070498
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1[nH]cc(C)n1	EMOLS-id_44452597,ZINC22_82170856,MCULE-7421193232,PC-id_70788098	342.439	XLRPJMSHJWHTCM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-070499
c1(C(CC(C)C)NC(=O)c2cccc(C)n2)nnc2CCNCCn12	EMOLS-id_36434972,PC-id_56707627,MCULE-8379034349	342.439	PLHJCHFJKDTWAC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070500
c1(C(CC(C)C)NC(=O)c2cccnc2C)nnc2CCNCCn12	PC-id_56717067,MCULE-9218394246,EMOLS-id_36454489	342.439	XPXPAOYETDUOBJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070501
c1(C(C(C)C)NC(=O)CCc2cccnc2)nnc2CCNCCn12	PC-id_56700578,MCULE-2741239500,EMOLS-id_36420088	342.439	GGDJVKCNCBROHB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070502
c1(cn2c(CCNCC2)n1)C(=O)N1CCCCC1CCn1ccnc1	EMOLS-id_330435097,MCULE-7336592675	342.439	XNZCUYRTQZBYSX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070503
c1(cn2c(CCNCC2)n1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_331142669,MCULE-9864756570,ZINC22_1875241174	342.439	PXUYMKDIKADCHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070504
c1(CN(C)C(=O)c2cc(C(C)C)nc(N)n2)c2CCCCCc2[nH]n1	MCULE-2891936231,EMOLS-id_49882983,PC-id_77088034,ZINC22_215719582	342.439	SIBRDLFYIVUVCF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070505
c1(CN(C)C(=O)CCc2cc3n(CCCNC3)n2)c2CCCc2[nH]n1	PC-id_70785445,MCULE-2336256422,EMOLS-id_43179405,ZINC22_72480800	342.439	MXCARZNYOYWDJG-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-070506
c1cnc(NC[C@H]2CN(CC3CCOCC3)Cc3ccnn3C2)nc1	ZINC22_306136743	342.439	QBTWCWPWPHEZBG-INIZCTEOSA-N	00000000100010100101000000000010000000000000000000000000	31-01-070507
c1cnc(NC[C@@H]2CN(CC3CCOCC3)Cc3ccnn3C2)nc1	ZINC22_306136744	342.439	QBTWCWPWPHEZBG-MRXNPFEDSA-N	00000000100010100101000000000010000000000000000000000000	31-01-070508
c1(c[nH]nc1C1CCCCC1)C(=O)NCc1nnc2CCCCCn12	EMOLS-id_44733324,MCULE-5056158949,PC-id_70762280,ZINC22_69371205	342.439	KNLCQEHOLSRRLR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-070509
c1(C(=O)N2CCC(C2)n2c(C)cc(C)n2)cc2n(CCCN(C)C2)n1	PC-id_50956487,EMOLS-id_32383988,MCULE-2825803903	342.439	UGJKWAYLOWDAEU-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-070510
c1(C(=O)N2CCCC(C2)c2nccn2CC)nnc2CCCCCn12	EMOLS-id_44727732,MCULE-8792354171,PC-id_70753526	342.439	RNCNMVZIOAFUBG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-070511
c1(C(=O)Nc2n[nH]c(CCC3CCCC3)n2)c2CCCCCc2n[nH]1	ZINC22_96232627,EMOLS-id_49249998,PC-id_75490776,MCULE-7294770175,EMOLS-id_50400768,STOCK7S-47809	342.439	JXYLVTYCBKLAIN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070512
c1(C(=O)NC(C)Cc2cnccn2)cc2n(CCCN(C(C)C)C2)n1	PC-id_50951486,EMOLS-id_32374480,MCULE-8292605353	342.439	SICPSHUFDMYWPW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070513
Cc1ccc(c(c1)C)C(N(C(=O)NC1CCn2c(CC1)nnn2)C)C	EMOLS-id_102158956	342.439	QQVXFQZDQQLVDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070514
CC1CCC(CC1)C(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_313723356	342.439	IVUUROYXJNZVIM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070515
Cc1cccc(CCNC(=O)NCCc2nnc3n2CCCCC3)n1	ZINC22_280083444,PC-id_121548279,MCULE-9351577040,EMOLS-id_75978949	342.439	WAJHPXOABKJKHL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070516
Cc1cc(C)c(c(n1)C)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_320277124,MCULE-6016023916	342.439	NARXODQITPUJHV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070517
Cc1cccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCNCC3)n1	PC-id_95206632,ZINC22_67739666	342.439	PLHJCHFJKDTWAC-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070518
Cc1cccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCNCC3)n1	ZINC22_67739668,PC-id_95206633	342.439	PLHJCHFJKDTWAC-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070519
CC1CCC(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)CC1	ZINC22_585110680	342.439	IVUUROYXJNZVIM-HWOWSKLDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070520
CC1CCC(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)CC1	ZINC22_585110681	342.439	IVUUROYXJNZVIM-PCKAHOCUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070521
Cc1ccc(NCc2cnc3CCN(CC4CCOC4)CCn23)nn1	EMOLS-id_44329191	342.439	UABXYRDJIBIDEQ-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-070522
Cc1ccc(NCc2cnc3n2CCN(C[C@@H]2CCOC2)CC3)nn1	ZINC22_96197135,PC-id_97467277	342.439	UABXYRDJIBIDEQ-HNNXBMFYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-070523
Cc1ccc(NCc2cnc3n2CCN(C[C@H]2CCOC2)CC3)nn1	ZINC22_96197136,PC-id_97467278	342.439	UABXYRDJIBIDEQ-OAHLLOKOSA-N	00000010100000100101000000000010000000000000000000000000	31-01-070524
Cc1cc(C)n([C@@H]2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)n1	ZINC22_65385827,PC-id_95123548	342.439	UGJKWAYLOWDAEU-OAHLLOKOSA-N	00000010100000000101100000000010000000000000000000000000	31-01-070525
Cc1cc(C)n([C@H]2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)n1	ZINC22_65385828,PC-id_95123549	342.439	UGJKWAYLOWDAEU-HNNXBMFYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-070526
CC1CNc2n(C1)ncc2C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319776451	342.439	YZRUQFFHNPPQNB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070527
Cc1cnc(C(=O)N2CCc3ncc(CN(C)C(C)C)n3CC2)cn1	EMOLS-id_46161807,ZINC22_96067886,PC-id_97390192	342.439	CHXUHRODOUEZGZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070528
CC1CN(CC(=O)Nc2ccnn2C2CCCC2)Cc2c(C1)[nH]nc2	EMOLS-id_318948794	342.439	LJPFDJVLWIYVAW-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-070529
CC1Nc2ccnn2C(C1CCC(=O)N1CCCc2c(C1)c[nH]n2)C	EMOLS-id_319210696	342.439	KDKYNZIHPHBXMN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070530
Cc1nc2n(c1)CC(CC2)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318908559	342.439	HRWOGMODHHCKFD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070531
Cc1nc2n(c1)CC(CC2)C(=O)NCCc1nnc2n1CCCCC2	MCULE-5136834069,EMOLS-id_320194424	342.439	FENXYSHMLXFDMG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070532
Cc1ncccc1C(=O)N[C@@H](CC(C)C)c1nnc2n1CCNCC2	ZINC22_67842332,PC-id_95216696	342.439	XPXPAOYETDUOBJ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070533
Cc1ncccc1C(=O)N[C@H](CC(C)C)c1nnc2n1CCNCC2	ZINC22_67842334,PC-id_95216697	342.439	XPXPAOYETDUOBJ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070534
Cc1ncc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCCC2)[nH]1	ZINC22_585097416	342.439	LMDRULDPMSGVMU-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070535
Cc1ncc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCCC2)[nH]1	ZINC22_585097417	342.439	LMDRULDPMSGVMU-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070536
Cc1nc(O)cc(C2CCN(Cc3cc4n(n3)CCCNC4)CC2)n1	ZINC22_72147429,EMOLS-id_43138542,MCULE-5718576054,PC-id_136102713	342.439	QORXKPLAXJUORR-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-070537
Cc1[nH]c(CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)cc1C#N	PC-id_100033558,ZINC22_219105074	342.439	FXHBUIUGNHZBDR-SFHVURJKSA-N	00000000110000000101000000000010000000000000000000000000	31-01-070538
Cc1[nH]c(CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)cc1C#N	PC-id_100033560,ZINC22_219105167	342.439	FXHBUIUGNHZBDR-GOSISDBHSA-N	00000000110000000101000000000010000000000000000000000000	31-01-070539
CCC(c1nnc2n1CCCCC2)NC(=O)C1CCCc2c1cn[nH]2	EMOLS-id_99875633	342.439	HBHOMYOANYUZET-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070540
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1c(C)cncc1C	EMOLS-id_319523216	342.439	QVBGQJWZZLBBST-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070541
CCC(CC)NC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	PC-id_121494496,MCULE-4252197830,ZINC22_426360016,EMOLS-id_177359280	342.439	BYQBIHRDWFOISC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070542
CCC(C)C(=O)NCc1nnc2CCN(Cc3ccccn3)CCn12	ChEMBL-DNDi_CHEMBL17707725,EMOLS-id_232712340,PC-id_56852836,MCULE-7356169068	342.439	IRNJBJZEOGXCOB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070543
CC(C)[C@H](NC(=O)CCc1cccnc1)c1nnc2n1CCNCC2	PC-id_95196759,ZINC22_67641600	342.439	GGDJVKCNCBROHB-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070544
CC(C)[C@@H](NC(=O)CCc1cccnc1)c1nnc2n1CCNCC2	PC-id_95196760,ZINC22_67641602	342.439	GGDJVKCNCBROHB-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070545
CCCC(=O)N1CCc2ncc(CN(C)Cc3cncnc3)n2CC1	PC-id_97467282,ZINC22_96197140,EMOLS-id_44329201	342.439	KIRIPRASXWECMP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070546
CCC(C(=O)NCc1nnc2n1CCN(CC2)Cc1cccnc1)C	ChEMBL-DNDi_CHEMBL25093065	342.439	IEBSEJLGVBBYDK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070547
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccccn1)CC2	ZINC22_11791163	342.439	IRNJBJZEOGXCOB-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070548
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccccn1)CC2	ZINC22_11791164	342.439	IRNJBJZEOGXCOB-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070549
CC[C@@H](CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccn1)C	CoCoCo_1394735,CoCoCo_1394737	342.439	CBKAFNQTXIAAHW-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070550
CC[C@H](CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccn1)C	CoCoCo_1394736,CoCoCo_1394738	342.439	CBKAFNQTXIAAHW-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070551
CC(C)N1CCCn2nc(C(=O)N[C@@H](C)Cc3cnccn3)cc2C1	ZINC22_65373983	342.439	SICPSHUFDMYWPW-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070552
CC(C)N1CCCn2nc(C(=O)N[C@H](C)Cc3cnccn3)cc2C1	ZINC22_65373984	342.439	SICPSHUFDMYWPW-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070553
CCCNc1ccc(cc1)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319676865	342.439	WKVHPSQYCNHKEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070554
C=CC(=O)N1C[C@H](CNC2=c3cc[nH]c3=NC=NC2)C[C@@H](C1)N(C)C	SCHEMBL19596052	342.439	IJCIGGPRYWLVFY-KBPBESRZSA-N	00000000100010000111000000000010000000000000000000000000	31-01-070555
C[C@H]1CC[C@@H](CC1)C(=O)N1CCc2nnc(Cn3cccn3)n2CC1	ZINC22_2055713352,EMOLS-id_313725147	342.439	DGSQWLAQURTVLZ-SHTZXODSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070556
C[C@H]1CC[C@@H](CC1)C(=O)N1CCCn2c(Cn3ccnc3)nnc2C1	ZINC22_1565554249,EMOLS-id_313730517	342.439	VRHUSBSRDOTCFE-SHTZXODSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070557
CCn1cc(c(n1)C1CC1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_319267882	342.439	ZDCFYJNFWHFLKY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-070558
CC(N1CCCn2c(C1)cc(n2)C(=O)N([C@H](c1ccncn1)C)C)C	PC-id_95125938	342.439	OKADCMLSCXNNEU-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070559
CC(N1CCCn2c(C1)cc(n2)C(=O)N([C@@H](c1ccncn1)C)C)C	PC-id_95125939	342.439	OKADCMLSCXNNEU-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070560
CCn1ccnc1[C@@H]1CCCN(C(=O)c2nnc3n2CCCCC3)C1	PC-id_97136710,ZINC22_91706344	342.439	RNCNMVZIOAFUBG-CQSZACIVSA-N	00000000100010000101100000000010000000000000000000000000	31-01-070561
CCn1ccnc1[C@H]1CCCN(C(=O)c2nnc3n2CCCCC3)C1	PC-id_97136711,ZINC22_91706345	342.439	RNCNMVZIOAFUBG-AWEZNQCLSA-N	00000000100010000101100000000010000000000000000000000000	31-01-070562
CCN(c1ccccc1CNC(=O)N1CCCn2c(C1)cc(n2)N)C	MCULE-1513060763,EMOLS-id_320254713	342.439	XJRUFXOEYXZTKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070563
CC(N(c1cccc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)C)C	EMOLS-id_319952390,MCULE-8226658488	342.439	RRSMFMIVNDPDIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070564
CC(Nc1ccc(cn1)C(=O)N(Cc1nnc2n1CCCCC2)C)C	EMOLS-id_318017410	342.439	RNBSRXDXYHRBDQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070565
CCNc1nccc(c1)CNC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319556919	342.439	QJSGJXSEPSDNCL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070566
CC(Nc1nnccc1C(=O)N1Cc2cnn(c2CC(C1)(C)C)C)C	EMOLS-id_319443712	342.439	PULBRAOOXJAYME-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070567
CCN(Cc1cnc2n1CCN(CC2)C(=O)c1cnc(cn1)C)CC	PC-id_97390186	342.439	YAMWWZPDAIUZQD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070568
CCN(CC)c1ccc(C(=O)NCc2nnc3n2CCCCC3)cn1	EMOLS-id_36282404,ZINC22_65536711,PC-id_53567674,MCULE-8062083203	342.439	IHRCNMOREJNHIO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070569
CN1CCCC1c1n[nH]c(c1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_278457333	342.439	SKDFHWZUPITZJG-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-070570
Cn1ccc(CC(=O)N2Cc3ccnn3CCC2CN2CCCC2)n1	EMOLS-id_313815084	342.439	VHTNEKGKJDWMBC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070571
Cn1ccc(CC(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2)n1	ZINC22_585098160	342.439	VHTNEKGKJDWMBC-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070572
Cn1ccc(CC(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2)n1	ZINC22_585098161	342.439	VHTNEKGKJDWMBC-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070573
Cn1cc(CN2CCc3ncc(CNC(=O)CC4CC4)n3CC2)cn1	PC-id_97467185,ZINC22_96197041,EMOLS-id_44329011	342.439	ZDNVEOKYBQPKLM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070574
Cn1ccnc1CN1CCN(C(=O)c2n[nH]c3c2CCCCC3)CC1	ZINC22_225589296,EMOLS-id_53793757,PC-id_100689084,MCULE-2826028872	342.439	KKGJLHBQEUJHOA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070575
CN1CCN(CC1)Cc1cnc2n1CCN(CC2)C(=O)c1ccc[nH]1	PC-id_97390214	342.439	OZBIYKBLLILBQD-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-070576
C(Nc1ncccn1)C1CN(CC2CCOCC2)Cc2ccnn2C1	EMOLS-id_50372235	342.439	QBTWCWPWPHEZBG-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-070577
CN(C(C)C)Cc1ncn2c1CN(CCC2)C(=O)c1cnc(cn1)C	PC-id_97413589	342.439	HCFALXCHMBECAP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070578
CN(C)CCNC(=O)C1CN(Cc2ccncc2)Cc2ccnn2C1	EMOLS-id_44326717	342.439	VFLFQZMYSFSILE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070579
CN(C)CCNC(=O)[C@H]1CN(Cc2ccncc2)Cc2ccnn2C1	PC-id_97463271,ZINC22_96188842	342.439	VFLFQZMYSFSILE-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070580
CN(C)CCNC(=O)[C@@H]1CN(Cc2ccncc2)Cc2ccnn2C1	ZINC22_96188843,PC-id_97463272	342.439	VFLFQZMYSFSILE-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070581
CN(C)CC(O)c1cc2CN(Cc3cc(C#N)c(C)[nH]3)CCCn2n1	EMOLS-id_50530347,MCULE-8668465044,PC-id_90648580	342.439	FXHBUIUGNHZBDR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-070582
CN(C)[C@H]1C[C@H](CN(C1)C(=O)C=C)CN=C1CN=CNc2c1cc[nH]2	PC-id_137245669	342.439	GFWUWSUJIFMOJX-KBPBESRZSA-N	00000000100010000111000000000010000000000000000000000000	31-01-070583
CN(CCNC(=O)[C@@H]1CCCCn2nnnc12)CCc1ccccc1	PC-id_97935967,ZINC22_97711677	342.439	CLFRHVRQJMQSEI-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070584
CN(CCNC(=O)[C@H]1CCCCn2nnnc12)CCc1ccccc1	PC-id_97935968,ZINC22_97711678	342.439	CLFRHVRQJMQSEI-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070585
CN=C(NCc1nnc2n1CCCCC2)NCc1ccccc1OC	PC-id_111216521	342.439	OXMQTPSEKLVXIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070586
CN=C(NCc1nnc2n1CCCCC2)NCc1cccc(c1)OC	PC-id_111250065	342.439	FTJZUYAVUCMLEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070587
CN=C(NCc1nnc2n1CCCCC2)NCCOc1ccccc1	PC-id_111006177	342.439	JEIAVMWQNUEOQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070588
CN(C(=O)Nc1ccccc1N(C)C)Cc1nnc2n1CCCCC2	EMOLS-id_319785554	342.439	ZYABSRHHIYXSII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070589
CN(C(=O)Nc1ccnn1CC1CC1)Cc1n[nH]c2c1CCCCC2	PC-id_72922280,MCULE-9128343317,EMOLS-id_48645196	342.439	HQVJZFUYGCRVEQ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070590
COc1ccc(cc1)CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111183180	342.439	GABMNIZSXXRCFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070591
COc1ccccc1N1CCC(CC1)NC1CCn2c(CC1)nnn2	MCULE-8492163076,EMOLS-id_316438277	342.439	WVMKKOBXRRJSDK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-070592
COc1ccccc1NC(=NCCCc1nnc2n1CCCCC2)N	PC-id_111093697	342.439	WKDCODUYQARUSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070593
COc1ccc(cc1)NC(=NCCCc1nnc2n1CCCCC2)N	PC-id_111093701	342.439	NUUBMLDJCFNGPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070594
n1c(CNc2ncnc(N3CCC(CC3)O)c2)c2c(CCCCC2)[nH]1	EMOLS-id_316181461,MCULE-4131657902,ZINC22_1529152816,PC-id_134704046	342.439	YHGZTWORQNQJTJ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-070595
n1c(CNC(=O)N2CCCC2Cn2cccn2)c2c(CCCCC2)[nH]1	EMOLS-id_177506559,PC-id_121513117,MCULE-3509095776	342.439	DFEOBSJUBUKLSF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070596
n1c(NCc2c3CCCCCc3[nH]n2)nccc1N1CCCC(O)C1	PC-id_134704135,MCULE-3898877111,EMOLS-id_316179166	342.439	DLNSMJBKVOHACV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-070597
N#CC1(C(=O)N2CCCn3nnc(CN4CCCC4)c3C2)CCCC1	EMOLS-id_313729499,ZINC22_1565554709	342.439	XTEGFVVQCAEXOF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070598
NC(=NCc1nnc2n1CCCCC2)Nc1ccc(cc1)OC(C)C	PC-id_111031952	342.439	MTWOUOXNCXDAQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070599
O1CCC2(CC1)N(CCc1c2[nH]cn1)Cc1nnc2n1CCCCC2	MCULE-4892254147,EMOLS-id_319925816	342.439	HNXAYBCRMMKMKL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070600
OC1(CN2CCn3c(nnc3Cc3cccnc3)CC2)CCCNC1	PC-id_70710525	342.439	CMSFKCREWGCIRD-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-070601
O=c1n(CN2CCN(Cc3ccncc3)CC2)nc2n1CCCCC2	MCULE-5280164837,EMOLS-id_30192846,ZINC22_22835457,PC-id_30661647	342.439	CYYADJYHDWMDHD-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-070602
O=C(C1(CCC1)Cc1cnn[nH]1)N1Cc2cnn(c2CC(C1)(C)C)C	MCULE-7410894043,EMOLS-id_320029156	342.439	OTPAWRWZEACCHI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-070603
O=C(C1CCCc2c1n(C)nn2)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319187438	342.439	IAPKBRVYZLOZBW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070604
O=C(C1CCn2c(CC1)nnc2)Nc1[nH]nc(c1)C1C(C1(C)C)(C)C	MCULE-2586037441,EMOLS-id_319893569	342.439	HENJYGZXKAEVFO-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-070605
O=C(c1ccnn1C1CCCC1)NCCc1nnc2n1CCCCC2	EMOLS-id_100340868	342.439	NJKTXHQPHSRFHW-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-070606
O=C(c1cc(n(n1)C(C1CC1)C)C)NCc1nnc2n1CCCCC2	EMOLS-id_98874807	342.439	SSTUZHBGHGZEQZ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070607
O=C(c1cn2c(n1)CCNCC2)N1CCCC[C@H]1CCn1ccnc1	ZINC22_1857721056	342.439	XNZCUYRTQZBYSX-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070608
O=C(c1cn2c(n1)CCNCC2)N1CCCC[C@@H]1CCn1ccnc1	ZINC22_1857721057	342.439	XNZCUYRTQZBYSX-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070609
O=C(c1n[nH]c2c1CCCCC2)N1CCN(CC1)Cc1ccnn1C	EMOLS-id_319675798	342.439	HTURDYVGJMRPJV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070610
O=C(c1nnn(c1C)CC1CCCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101676602	342.439	NQTYDAJHCMSVNQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070611
O=C(Cc1cnn2c1CCCC2)NCCc1nnc2n1CCCCC2	EMOLS-id_319188251	342.439	QSBDLWPQVNHFPX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070612
O=C(CCc1ccc[nH]1)N1CCCn2nnc(CN3CCCC3)c2C1	ZINC22_1565554664,EMOLS-id_313729755	342.439	DEIIXQGBBRUSIM-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-070613
O=C(C(C)C)NCc1nnc2n1CCCN(C2)Cc1cccc(n1)C	PC-id_97405628	342.439	ZZCRSKPLBISDFP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070614
O[C@@H]1CCCN(c2ccnc(NCc3n[nH]c4c3CCCCC4)n2)C1	ZINC22_1529150997	342.439	DLNSMJBKVOHACV-CYBMUJFWSA-N	00000000100010100101100000000010000000000000000000000000	31-01-070615
O[C@H]1CCCN(c2ccnc(NCc3n[nH]c4c3CCCCC4)n2)C1	ZINC22_1529150999	342.439	DLNSMJBKVOHACV-ZDUSSCGKSA-N	00000000100010100101100000000010000000000000000000000000	31-01-070616
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)NC1CCCn2c1ccn2	EMOLS-id_318372486	342.439	YYVPXBNIENKHOS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070617
O=C(N1CCCC1c1cccn1C)NCc1nnc2n1CCCCC2	PC-id_75890227,EMOLS-id_110375787	342.439	YOTJIEPGUQMPBL-UHFFFAOYSA-N	00000010110000000101100000000010000000000000000000000000	31-01-070618
O=C(N1[C@@H](CCC1)c1n(ccc1)C)NCc1n2CCCCCc2nn1	PC-id_52642964	342.439	YOTJIEPGUQMPBL-HNNXBMFYSA-N	00000010110000000101100000000010000000000000000000000000	31-01-070619
O=C(N1[C@H](CCC1)c1n(ccc1)C)NCc1n2CCCCCc2nn1	PC-id_52642965	342.439	YOTJIEPGUQMPBL-OAHLLOKOSA-N	00000010110000000101100000000010000000000000000000000000	31-01-070620
O=C(Nc1ccc(cc1C)N(C)C)NCc1nnc2n1CCCCC2	PC-id_86989231	342.439	VPYJEEQCNUEUEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070621
O=C(NCc1n2CCN(CC(C)(C)C)CCc2nn1)c1ncccc1	PC-id_42163146	342.439	GHHUJHJMQZKJKG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070622
O=C(NCc1n2CCN(CC(CC)C)CCc2nn1)c1ncccc1	PC-id_45212817	342.439	CBKAFNQTXIAAHW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070623
O=C(NCc1nn2CCCNCc2c1)c1c([nH]nc1)C1CCCCC1	PC-id_70711019	342.439	QXXDFNUMXFTXFS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-070624
O=C(NCc1n[nH]c2c1CCCCC2)N1CCC[C@H]1Cn1cccn1	ZINC22_426723819	342.439	DFEOBSJUBUKLSF-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070625
O=C(NCc1n[nH]c2c1CCCCC2)N1CCC[C@@H]1Cn1cccn1	ZINC22_426723820	342.439	DFEOBSJUBUKLSF-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070626
O=C(NCCc1n2CCN(CCc2nn1)CC(C)C)c1cccnc1	PC-id_42272650	342.439	VJINCENZGMSKGP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070627
O=C(N(C(C)c1ncncc1)C)c1nn2CCCN(Cc2c1)C(C)C	PC-id_50961099	342.439	OKADCMLSCXNNEU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070628
Cc1cc(N2CCN(Cc3cc4n(n3)CCCNC4)CC2)nc(N)n1	ZINC22_72148450,EMOLS-id_43139522,MCULE-3522290829,PC-id_56903248	342.442	QCXAGSZYQHMQMR-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-070629
Cc1cc(N2CCN(Cc3nnc4n3CCCCC4)CC2)nc(N)n1	EMOLS-id_35698804,MCULE-3479570209,PC-id_53512835,ZINC22_45725546	342.442	SXHDWIGXTUKEMM-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-070630
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s1c2CCCCCc2cc1C(=O)OC(C(=O)c1ccc(cc1)C)C	PC-id_16509426	342.452	URLWDLJFSFJSRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070632
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(ccc(c1)C)C	PC-id_7351970	342.452	DRWYDINELUKFEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070633
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c1(c2CCCCCc2sc1NC(=O)C)C(=O)Nc1ccc(cc1)C	EMOLS-id_1280372,ZINC22_84510,MCULE-7615390191,BAS-00832064,ChEMBL-DNDi_CHEMBL8010-3283,TIMTEC227148,CoCoCo_138046,PC-id_702522	342.455	IVFRGIUWKFAIGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070636
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c1(NC(=O)c2ccccc2C)sc2c(CCCCCC2)c1C(=O)N	MCULE-1898614614,TIMTEC106406,CoCoCo_6844882,PC-id_5153468,EMOLS-id_5369154,ZINC22_6318752	342.455	CQIHIHNQTOXAEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070642
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCCCC2)c1C(=O)N	SPECS-id_AK-968/12100002,EMOLS-id_1773774,ChEMBL-DNDi_CHEMBLF0806-0400,PC-id_668704,MCULE-6435452049,ZINC22_29065,CoCoCo_5014643	342.455	CXMPWDKLMNVJQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070643
c1(NC(=O)c2cccc(C)c2)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_5379496,ZINC22_369184,CoCoCo_6923702,MCULE-2114810700,SPECS-id_AK-968/37272018,PC-id_840249	342.455	SHPWLVJLQVJYDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070644
c1(NC(=O)Cc2ccccc2)sc2c(CCCCCC2)c1C(=O)N	ZINC22_5682302,EMOLS-id_5358935,CoCoCo_6844883,TIMTEC308408,PC-id_5207441,MCULE-4201170033	342.455	MHSNGOSHLRCDJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070645
c1(NC(=O)CCc2ccc3OCCc3c2)sc2c(CCCCC2)n1	EMOLS-id_320490303,MCULE-3995630882	342.455	FWKXZURGCXMBGT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070646
c1(NC(=O)C=Cc2ccc(cc2)OCC)sc2c(CCCCC2)n1	MCULE-8157622885	342.455	GNIGTWCOGKLXKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070647
c1(NC(=O)CCc2ccccc2)sc2c(CCCCC2)c1C(=O)N	ZINC22_4176882,CoCoCo_5014647,MCULE-8974160554,EMOLS-id_4021734,PC-id_4427966,TIMTEC273129	342.455	KUFASKSUWUFGJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070648
Cc1ccc(c(c1)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2)C	CoCoCo_5040873,EMOLS-id_4953220,PC-id_4100556,ChEMBL-DNDi_CHEMBLF1447-0139	342.455	QDAMYXXFRCVZIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070649
Cc1cc(C)cc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1	ZINC22_32125196,PC-id_20166062	342.455	SUPQZVCJJLRCFI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070650
CCc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	PC-id_20166063,ZINC22_6956742	342.455	CXGNHRDYMDFZRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070651
C=C/C=CC(=C)/C=C/C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_145346877	342.455	GUQGFEQEZORTLI-CQBWSJEESA-N	00000000100000000100000000000010000000000000000000000000	31-01-070652
CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2	PC-id_4248009,CoCoCo_1731146,SCHEMBL20542279	342.455	REAVEXFBHGHERP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070653
CCOc1ccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)cc1	EMOLS-id_334606198	342.455	GNIGTWCOGKLXKX-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070654
CC(=O)c1ccc(CNC(=O)c2cc3c(s2)CCCCC3)nc1C	EMOLS-id_316848983,MCULE-7721433404,PC-id_136518648,ZINC22_157986912	342.455	RVQXYPCNIVPTIN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-070655
CC(=O)CNN(c1ccccc1)C(=O)c1csc2c1CCCCC2	PC-id_135363448,SCHEMBL20542280	342.455	PWHZMXHAHPSTLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070656
CC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCCCCC3)c1	MCULE-7238088923,CoCoCo_3265392,EMOLS-id_16807031,PC-id_17543088,ZINC22_12804807	342.455	RLSNYLFHZJYIOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070657
CC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1	PC-id_25625458,CoCoCo_3230459,MCULE-9293724490,ZINC22_12946222,EMOLS-id_18908577	342.455	DUEWWFVQUFVBED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070658
CN(CC(=O)Nc1ccccc1)C(=O)c1cc2c(s1)CCCCC2	MCULE-7345384472,PC-id_51114246,ZINC22_47548448,EMOLS-id_33347437	342.455	HTWVABNJUKFLRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070659
COc1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319616825	342.455	CWHFLSMNSFBCNT-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070660
COc1cccc(c1)[C@@H]1C[C@H]1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319650530	342.455	BRGAGJHXSUMWAE-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-070661
O=C(N1CCCc2c(C1)ccs2)N[C@@H]1CCO[C@H]1c1ccccc1	EMOLS-id_319598180	342.455	GXEGHVNXORMZSN-AEFFLSMTSA-N	00000010100000110100100000000010000000000000000000000000	31-01-070662
O=C(N1CCCCc2c1sc(n2)C)CCc1ccc2c(c1)CCO2	MCULE-6098582607,EMOLS-id_320211851	342.455	IOTCGGVGFOEULS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070663
O=C(NCCNC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	MCULE-6618017570,EMOLS-id_44062136,CoCoCo_4668785,ZINC22_25517033,PC-id_24659975	342.455	QFRLAAYYNNBMRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070664
s1c2CCCCCc2cc1C(=O)Nc1cc(ccc1)C(=O)N(C)C	PC-id_30378912	342.455	QPUNBMJKYNPUHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070665
s1c2CCCCCc2cc1C(=O)Nc1ccc(cc1)C(=O)N(C)C	PC-id_8698833	342.455	IVTBBWSFFXDZIP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070666
s1c2CCCCCc2cc1C(=O)NN=Cc1c(OCC)cccc1	PC-id_78620850	342.455	QLFQRWWZADJDOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070667
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(c(ccc1)C)C	PC-id_43004225	342.455	CPXAXSDLPYIGRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070668
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1c(cccc1)C	PC-id_31846135	342.455	GBLPLKMWSKTSKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070671
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1ccc(cc1)C	PC-id_9163642	342.455	JVQYHNYZTYZTHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070672
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1ccccc1	PC-id_9301145	342.455	NQLDFFRXVNHLRP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070673
s1c2c(CCCCC2)c(c1NC(=O)c1c(c(ccc1)C)C)C(=O)N	PC-id_52894704	342.455	MTZFLCLCRRGYHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070674
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C)C(=O)NC	PC-id_7475047	342.455	DTKJLSPTRNDWOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070675
s1c2c(CCCCC2)c(c1NC(=O)c1cc(ccc1)C)C(=O)NC	PC-id_7475048	342.455	ZZJCTOAKERWFJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070676
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(cccc1)C)C(=O)N	PC-id_52453375	342.455	XLMBWDDXGJTWSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070677
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccccc1)C(=O)NC	PC-id_7475118	342.455	VDOHCLIOSGJZPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070678
s1c2c(CCCCC2)c(c1NC(=O)C)C(=O)Nc1cc(ccc1)C	PC-id_24023594	342.455	XEUXWXARULHHNG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070679
s1c2CCCCCCc2cc1C(=O)Nc1c(cccc1)C(=O)NC	PC-id_24670329	342.455	APLRNCXHXVKWHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070680
s1c2CCCCCCc2cc1C(=O)Nc1c(c(ccc1)C(=O)N)C	PC-id_34574620	342.455	UMLDIPLZTVIRAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070681
s1c2CCCCCCc2cc1C(=O)Nc1cc(ccc1)C(=O)NC	PC-id_43005162	342.455	XDAXUTUGYFXSBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070682
s1c2CCCCCCc2cc1C(=O)N(c1ccc(cc1)C(=O)N)C	PC-id_52410380	342.455	AYOLNMMATPMBJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070683
s1c2CCCCCCc2cc1C(=O)Nc1cc(c(cc1)C(=O)N)C	PC-id_56518334	342.455	DPILTOYNBCFHAC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070684
s1c2CCCCCCc2cc1C(=O)Nc1ccc(cc1)C(=O)NC	PC-id_9158356	342.455	RTFZGDBCCPLMFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070685
s1c2CCCCCCc2cc1C(=O)NCc1ccc(cc1)C(=O)N	PC-id_45753853	342.455	SHYYWWAYUUCJRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070686
s1c2CCCCCCc2cc1C(=O)NC(c1ccccc1)C(=O)N	PC-id_51315230	342.455	XTKZQWAEVMDLEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070687
s1c2CCCCCCc2cc1C(=O)N(Cc1occc1)CCC#N	PC-id_60520037	342.455	RYVRQQKEGBDUMA-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-070688
s1c2CCCCCCc2cc1C(=O)NCC(=O)Nc1ccccc1	PC-id_52666233	342.455	MMCHROAMTXOUFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070689
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(cccc1)C	PC-id_8140743	342.455	LHOADDNXLNQWBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070690
s1c2CCCCCCc2nc1NC(=O)Cc1cc2CCOc2cc1	PC-id_56021977	342.455	SYFPSSDQMPBHBC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070691
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CCCN1CCOCC1	EMOLS-id_320261346,MCULE-7565763538	342.457	ATKLWCGOEIRFMN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070692
CC1CC(C1)(C)CS(=O)(=O)N(Cc1nnc2n1CCOCC2)C	EMOLS-id_318802289	342.457	YQJMMCAVMDZYFH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-070693
CC1(C)CC(CN(Cc2nnc3n2CCOCC3)S(=O)(=O)C)C1	MCULE-5295677512,ZINC22_1615549796,EMOLS-id_320276693	342.457	JFSMQTOLLSCJJZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-070694
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(C(C)(C)C)NS(=O)(=O)C	EMOLS-id_319214567	342.457	JIDUQTBQFQGNMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070695
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)CC1CCCO1	EMOLS-id_98766467	342.457	IPEGSIPKLPVBIT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070696
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)CC1CCOC1	EMOLS-id_98849041	342.457	VIWCCZBFGLXPOM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070697
CCCCS(=O)(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_50586767,PC-id_91922691	342.457	IXPLHPAABNRELI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070698
CCCS(=O)(=O)N(C)C1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91910883,MCULE-6299932847,EMOLS-id_50586511	342.457	MMLVMZQLDBSTPP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070699
C[C@@H]1CCC[C@H]1CS(=O)(=O)N(Cc1nnc2n1CCOCC2)C	EMOLS-id_320030365,MCULE-9828946978	342.457	IGRHWNVHVXWYPW-OLZOCXBDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070700
CCS(=O)(=O)N1CCCn2c(C1)c(CNC1CCOCC1)nc2	PC-id_97405480	342.457	ZALOJGDYWQVMOZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070701
CN(C)S(=O)(=O)N1CC(Cn2cncc2C1)COCC1CCC1	PC-id_134690199	342.457	XAXQMRZZJBIXDX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-070702
COC1CCN(CC1)S(=O)(=O)NCc1n[nH]c2CCCCCc12	MCULE-7640504879,EMOLS-id_222764621,ZINC22_670447926	342.457	GMALQRIUABTALL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070703
COCC1CCCN1S(=O)(=O)NCc1n[nH]c2CCCCCc12	MCULE-7925269128,EMOLS-id_222755343	342.457	APSOSIPQAMQZIE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070704
COC[C@H]1CCCN1S(=O)(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_670438503	342.457	APSOSIPQAMQZIE-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070705
COC[C@@H]1CCCN1S(=O)(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_670438504	342.457	APSOSIPQAMQZIE-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070706
CS(=O)(=O)N(CCC1CCCC1)Cc1nnc2n1CCOCC2	EMOLS-id_320278485,ZINC22_1615548847,MCULE-4621658744	342.457	FUMPOKMEKWHTLC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070707
O=S(=O)(NCc1nnc2n1CCCCC2)CCC1CCOCC1	EMOLS-id_100765393	342.457	ZFLRZYFUKUUXAR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070708
c1(c2sccc2C)oc(c(CN2CCCn3nc(C)cc3C2)n1)C	PC-id_56747133,MCULE-1742323772,ZINC22_67817706,EMOLS-id_36585700	342.458	GOFKRMPVNIKDCU-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-070709
c1(cc2c(CCCCC2)s1)C(=O)N1CCN(CC1)c1ncccn1	MCULE-8727535258,TIMTEC80717,CoCoCo_540373,ZINC22_1052357,PC-id_1244298,CHEMBL1352792,EMOLS-id_2041104	342.458	BNQMBNZKOLHGNG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-070710
Cc1ccc2c(c1)SC(C2)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_31875442,PC-id_45805029,MCULE-7817148668	342.458	DUFCCIBTUGMMEL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070711
Cc1ccc2c(c1)S[C@H](C(=O)NCc1nnc3n1CCCCC3)C2	PC-id_93608704,CoCoCo_4625790,ZINC22_40489064	342.458	DUFCCIBTUGMMEL-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070712
Cc1ccc2c(c1)S[C@@H](C(=O)NCc1nnc3n1CCCCC3)C2	PC-id_93608705,CoCoCo_4625791,ZINC22_40489065	342.458	DUFCCIBTUGMMEL-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070713
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(nc1)N1CCCC1	EMOLS-id_319139376	342.458	UISSQEDRICONAW-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-070714
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccnc(c1)NC1CCC1	EMOLS-id_319943637,MCULE-2607192102	342.458	RESSGRVHJXKYJE-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-070715
CC(C(=O)N1CCc2c1cccc2)Sc1nnc2n1CCCCC2	EMOLS-id_11844662,MCULE-4637426663,PC-id_16381361	342.458	YDTVDHCVFORXGB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070716
C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc2n1CCCCC2	CoCoCo_3082128,PC-id_7877417,ZINC22_6098180	342.458	XAUNHILTHGEZDA-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070717
C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc2n1CCCCC2	PC-id_7877418,ZINC22_6098182,CoCoCo_3082127	342.458	XAUNHILTHGEZDA-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070718
C[C@@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1nnc2n1CCCCC2	ZINC22_29894486	342.458	VNFBJHHNMSKQLS-DOMZBBRYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070719
C[C@H](NC(=O)[C@@H]1Cc2ccccc2S1)c1nnc2n1CCCCC2	ZINC22_29894490	342.458	VNFBJHHNMSKQLS-WFASDCNBSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070720
C[C@@H](NC(=O)[C@H]1Cc2ccccc2S1)c1nnc2n1CCCCC2	ZINC22_29894494	342.458	VNFBJHHNMSKQLS-IUODEOHRSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070721
C[C@H](NC(=O)[C@H]1Cc2ccccc2S1)c1nnc2n1CCCCC2	ZINC22_29894497	342.458	VNFBJHHNMSKQLS-SWLSCSKDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070722
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N1CCc2ccccc12	CoCoCo_3081910,PC-id_7877182,ZINC22_6097848	342.458	YDTVDHCVFORXGB-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070723
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N1CCc2ccccc12	PC-id_7877183,ZINC22_6097850,CoCoCo_3081909	342.458	YDTVDHCVFORXGB-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070724
CC(=O)Nc1ccccc1/C=C/CN1CCc2c(CC1)nc(s2)N	PC-id_19985752,SCHEMBL7292706	342.458	XIQBAYUINPHHGV-GQCTYLIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-070725
CC(=O)Nc1cccc(c1)/C=C/CN1CCc2c(CC1)nc(s2)N	PC-id_19985978,SCHEMBL7294299	342.458	VPYCIDQRIFRNED-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070726
CC(=O)Nc1ccc(cc1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7284164,PC-id_19985885	342.458	HUPJONFTJHRRHN-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070727
COc1ccccc1Nc1sc2c(n1)C(=C(CCC2)N=C(N)C)C	PC-id_144384277	342.458	ZVLZXJMBJPSVDH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070728
Nc1nccc(n1)C1CN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_319216905	342.458	RSUGFPBTIPDVIX-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-070729
N#CC1CCN(CC1)CC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_110906173	342.458	KABWSHFFIXSGRT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-070730
N#Cc1c(sc2c1CCCCCC2)NC(=O)c1c(C)nn(c1C)C	EMOLS-id_110431562	342.458	RUWAYMXSHYXPPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070731
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(s1)C(C)(C)C	EMOLS-id_316897817,PC-id_145877792	342.458	GFKDQQDSMXPFII-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070732
O=C(C1Cc2c(S1)cccc2)NC(c1nnc2n1CCCCC2)C	EMOLS-id_33304529,PC-id_51077801,MCULE-8084824712	342.458	VNFBJHHNMSKQLS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070733
O=C(C1Cc2c(S1)cccc2)NCCc1nnc2n1CCCCC2	EMOLS-id_98390510	342.458	QNEQWLUHENAITK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070734
O=C(c1cc2c(s1)CCCCC2)N1CCN(c2cnccn2)CC1	ZINC22_11086722,PC-id_41812242,EMOLS-id_31867504,MCULE-3401815723	342.458	XGPVUZSOWQXGTB-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-070735
O=C(c1cc2c(s1)CCCCC2)N1CCN(CC1)c1ccnnc1	EMOLS-id_318914301	342.458	SYRAUCAJKFSZTE-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-070736
O=C(c1cc2c(s1)CCCCC2)NN=C1CCCc2c1cnn2C	MCULE-6408358951,PC-id_71940913,EMOLS-id_45637807	342.458	KFQGWWYWQIYSRE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070737
O=C(C1CCN(c2cnccn2)CC1)N1CCCc2sccc2C1	EMOLS-id_36962605,PC-id_56783217,ZINC22_71886031,MCULE-7549244695	342.458	SRSKARKGUURNSP-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-070738
O=C(c1csc2c1CCCCC2)N1CCN(CC1)c1ncccn1	ChEMBL-DNDi_CHEMBL1340526,PC-id_3240370,CHEMBL1340526	342.458	AVZJTEJHEAYMRO-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-070739
O=C(c1nc2c(s1)CCN(Cc1ccccn1)CC2)N1CCCC1	EMOLS-id_44325471,ZINC22_96187585,PC-id_97462043	342.458	SAIPYHBVAOUXPR-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070740
O=C(c1nc2c(s1)CCN(Cc1ccncc1)CC2)N1CCCC1	EMOLS-id_44325473,PC-id_97462044,ZINC22_96187586	342.458	RATBHJGFSKPQRX-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-070741
O=C(c1nccc(c1)N1CCCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98823420	342.458	MQCGPXIIKUZDFV-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-070742
O=C(C(c1ccccc1)Sc1nnc2n1CCCCC2)NC1CC1	EMOLS-id_3619672,PC-id_16323846,MCULE-3695468553	342.458	HQJPLSKIYNKTDP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-070743
O=C(N1C(C)Cc2c1cccc2)CSc1nnc2n1CCCCC2	EMOLS-id_3659941,PC-id_16291026,MCULE-4613377219	342.458	XAUNHILTHGEZDA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070744
O=C(NC1CC1)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1	CoCoCo_4013255,PC-id_8211687,ZINC22_7081599	342.458	HQJPLSKIYNKTDP-MRXNPFEDSA-N	00100000100000110101000000000010000000000000000000000000	31-01-070745
O=C(NC1CC1)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_7081595,CoCoCo_4013254,PC-id_8211683	342.458	HQJPLSKIYNKTDP-INIZCTEOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-070746
s1c2CCCCCc2cc1C(=O)N/N=C/1CCCc2n(ncc12)C	PC-id_75361446	342.458	KFQGWWYWQIYSRE-XSFVSMFZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070747
s1c2CCN(CCc2nc1N)CC=Cc1ccc(NC(=O)C)cc1	PC-id_53897346	342.458	HUPJONFTJHRRHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070748
s1c2CCN(CCc2nc1N)CC=Cc1cc(NC(=O)C)ccc1	PC-id_54404809	342.458	VPYCIDQRIFRNED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070749
s1c2CCN(CCc2nc1N)CC=Cc1c(NC(=O)C)cccc1	PC-id_54471421	342.458	XIQBAYUINPHHGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070750
CNS(=O)(=O)NC1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_111198349	342.46	YQURQZNBJVIMBE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070751
Cc1nc(C)n(CC2CN(Cc3cccs3)Cc3nccn3C2)n1	PC-id_118743180,EMOLS-id_44326543,CHEMBL3554105	342.462	MNYMMWCRQKZEAQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070752
Cc1nc(C)n(C[C@H]2CN(Cc3cccs3)Cc3nccn3C2)n1	ZINC22_96188700,PC-id_97463133	342.462	MNYMMWCRQKZEAQ-HNNXBMFYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070753
Cc1nc(C)n(C[C@@H]2CN(Cc3cccs3)Cc3nccn3C2)n1	ZINC22_96188701,PC-id_97463134	342.462	MNYMMWCRQKZEAQ-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070754
CCc1cc2c(N(C)Cc3nnc4n3CCCCC4)ncnc2s1	ZINC22_45802481,MCULE-6029005949,EMOLS-id_44112153,PC-id_47034327	342.462	YILJEAHIZPBGEF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070755
CCc1nc(NCc2nnc3n2CCCCC3)c2c(n1)c(C)cs2	EMOLS-id_319578495	342.462	VRUFPKXJDLLYFQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070756
O(C(=O)c1c2-c(c(CCCCCCCO)c1)cccc(c2)C(C)C)C	PC-id_10065995	342.472	BLYJBIAAAWDORJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070757
O(C(=O)c1c2-c(c(CCCCCCCO)c1)ccc(C(C)C)cc2)C	PC-id_10450087	342.472	BXKPEORHIIHOAP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070758
CCCC[C@H]1CCCCCCc2c1cc([nH]2)/C=C
/C(=CC(=O)N1)OC	PC-id_134940300	342.475	HLOVKGISYOPVFY-CCNLRRDASA-N	00000011100000000100000000000010000000000000000000000000	31-01-070759
CCCC[C@H]1CCCCCCc2c1cc([nH]2)/C=C
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O(C1=CC(=O)NC1=Cc1[nH]c2c(C(CCCCCC2)CCCC)c1)C	PC-id_11473347	342.475	HLOVKGISYOPVFY-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-070761
O(C1=CC(=O)NC1=Cc1[nH]c2CCCCCCCCC(c1c2)CC)C	PC-id_75041292	342.475	CFOSBVQUWTYCIN-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-070762
O(C1=CC(=O)NC1=Cc1[nH]c2CCCCCCCC[C@H](c1c2)CC)C	PC-id_44521128	342.475	CFOSBVQUWTYCIN-OAHLLOKOSA-N	00000011100000000100000000000010000000000000000000000000	31-01-070763
O=C(C1=CCCCC1)N1Cc2cccn2C[C@@H](CCOCC2CC2)C1	ZINC22_585095509	342.475	USJVEGASVJNALT-GOSISDBHSA-N	00100000100011000101000000000010000000000000000000000000	31-01-070764
O=C(C1=CCCCC1)N1Cc2cccn2C[C@H](CCOCC2CC2)C1	ZINC22_585095510	342.475	USJVEGASVJNALT-SFHVURJKSA-N	00100000100011000101000000000010000000000000000000000000	31-01-070765
O=C(N1CC(CCOCC2CC2)Cn2cccc2C1)C1=CCCCC1	EMOLS-id_313747892	342.475	USJVEGASVJNALT-UHFFFAOYSA-N	00100000100011000101000000000010000000000000000000000000	31-01-070766
c12N(CCCCc1cc(C(=O)NC1CCS(=O)(=O)C1)s2)CC	MCULE-2583727353,EMOLS-id_97031451	342.477	WYOBIWBXOHXSNM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-070767
c1(cc2c(CCCCC2)s1)C(=O)N1CCC(C1)CS(=O)(=O)N	EMOLS-id_68936358,MCULE-7270322182,PC-id_118793181	342.477	HPSMPJFWXFATLZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-070768
CNC1C(=O)N(CCc2c1scc2)CC1CCCCS1(=O)=O	PC-id_23554700,SCHEMBL14171093	342.477	ZQQLEARWUWVPDL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-070769
CNC1C(=O)N(CCc2c1scc2)CC1CCCS(=O)(=O)C1	SCHEMBL14171072,PC-id_23554704	342.477	GUUJBMPNZKDWSZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-070770
CNC1C(=O)N(CCc2c1scc2)CC1CCS(=O)(=O)CC1	SCHEMBL14171098,PC-id_23554708	342.477	DTLWKJVSGLAGHK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-070771
CS(=O)(=O)N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	EMOLS-id_110291154,PC-id_51252168,ZINC22_52854900	342.477	IODMOTDQRCSRQP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070772
Cc1sc(c(c1)S(=O)(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112807962	342.5	SCKXZUYWFOYOJH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070856
CS(=O)(=O)NC1CCN(C1)C(=O)c1cc2c(s1)CCCCC2	MCULE-6150815206,PC-id_136526290,EMOLS-id_111019055	342.477	ULKAZNZJNVTISH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-070773
NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc3c(s2)CCCCC3)C1	ZINC22_299793949	342.477	HPSMPJFWXFATLZ-LLVKDONJSA-N	00000010100000000100000000000010000000000000000000000000	31-01-070774
NS(=O)(=O)C[C@H]1CCN(C(=O)c2cc3c(s2)CCCCC3)C1	ZINC22_299793961	342.477	HPSMPJFWXFATLZ-NSHDSACASA-N	00000010100000000100000000000010000000000000000000000000	31-01-070775
O=C(C1(CCC1)S(=O)(=O)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110766308	342.477	OXQMUQXESRTDMK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-070776
O=C(C1(CCCC1)S(=O)(=O)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110945730	342.477	KMEBAVSMUFENOZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070777
O=C(C1CCCCS1(=O)=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111059474	342.477	LAIUKYNOPMZGKD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070778
O=C(CC1CCS(=O)(=O)C1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644658	342.477	ONEKANDISBUJBE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070779
O=C(CS(=O)(=O)C1CCCC1)Nc1nc2c(s1)CCCCC2	PC-id_96502823	342.477	HSJIYFZCPDGGCR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070780
O=C(N1CCCC1CS(=O)(=O)N)c1cc2c(s1)CCCCC2	EMOLS-id_110969410	342.477	VCUCVUWHKQTKTC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-070781
O=C(N1CCC(C1)S(=O)(=O)N)c1sc2c(c1)CCCCCC2	EMOLS-id_110898430	342.477	CNRQKENANLJVKD-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-070782
O=C(N1CCCCc2c1sc(n2)C)CC1(CC1)CS(=O)(=O)C	EMOLS-id_319056821	342.477	MCIVALIVRNXSKB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070783
O=C(N1CCCCc2c1sc(n2)C)CS(=O)(=O)C1CCCC1	EMOLS-id_320317341,MCULE-4012157452	342.477	WVHPJFFTTYMVRH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070784
s1c2c(CCCCC2)c(c1NC(=S)NCCOC)C(=O)OC	PC-id_17298099	342.477	GOEWTULVXAUMQF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-070785
S1CC(OC(=O)c2ccccc2)CSc2sc(=O)sc12	PC-id_15322646	342.477	CKWTZDRKWIGWIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070786
Sc1ccc2-c(cc1)cc(c2)C#Cc1ccc2-c(cc1)cc(c2)S	PC-id_101966845	342.477	HSQLVPGLNXNQOX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070787
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)CC1CCC=CC1	EMOLS-id_46066071,MCULE-3890406169,PC-id_72894354	342.478	ZDLOUFVJGBLCMH-UHFFFAOYSA-N	00100000100011000101000000000010000000000000000000000000	31-01-070788
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CC1CCC=CC1	MCULE-1099945571,PC-id_70763655,EMOLS-id_44444103	342.478	VXHCSNIHEAZTBR-UHFFFAOYSA-N	00001000100011000101000000000010000000000000000000000000	31-01-070789
c1(NC(=O)c2ccccc2SC)sc2c(CCCCC2)c1C#N	ZINC22_4517406,MCULE-2171290206,PC-id_7266811,CoCoCo_5141837,EMOLS-id_5569998	342.478	PKLSXGDTFZYOLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070790
c1(NC(=O)c2ccc(cc2)SC)sc2c(CCCCC2)c1C#N	ZINC22_4517626,PC-id_7266956,MCULE-3400125155,EMOLS-id_5570336,CoCoCo_5142084	342.478	MDPXPIQCCYOBLT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070791
c1(NC(=O)c2cccc(SC)c2)sc2c(CCCCC2)c1C#N	PC-id_7266890,ZINC22_4517504,MCULE-4767899415,EMOLS-id_5570182,CoCoCo_5141963	342.478	ACSFCZAHTCUVLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070792
c1(NC(=O)C=Cc2cccs2)sc2c(CCCCCC2)c1C#N	PC-id_1744420,MCULE-5926962315	342.478	SESNHDVPEIKYQU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-070793
c1(NC(=O)CSc2ccccc2)sc2c(CCCCC2)c1C#N	EMOLS-id_2496411,MCULE-6212052568,TIMTEC598128,PC-id_2970530,CoCoCo_540824,ZINC22_4749800	342.478	ZMWCPHHTIUBXAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070794
Cc1ccc(C)c(OCCCN(C)Cc2cc3n(n2)CCCNC3)c1	PC-id_56898479,EMOLS-id_43124383,ZINC22_72161153,MCULE-9200560499	342.478	WGLMXPVMJUAIMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070795
Cc1cc(CN2Cc3cccn3C[C@H](CCOCC3CC3)C2)n(C)n1	ZINC22_585095075	342.478	CYORFKAYAUFLSE-GOSISDBHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070796
Cc1cc(CN2Cc3cccn3C[C@@H](CCOCC3CC3)C2)n(C)n1	ZINC22_585095076	342.478	CYORFKAYAUFLSE-SFHVURJKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070797
Cc1cc(CN2CC(CCOCC3CC3)Cn3cccc3C2)n(C)n1	EMOLS-id_313837860	342.478	CYORFKAYAUFLSE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070798
CC(c1ccc(cc1)C(O)(C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_258181578,MCULE-5909386680	342.478	RVQFWYRIIGTBSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070799
CC(C)c1ccc(OCCN(C)Cc2cc3CNCCCn3n2)cc1	PC-id_56893735,ZINC22_72149146,MCULE-6029527151,EMOLS-id_43105075	342.478	PZDRQKCUTODZLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070800
CCC(CNc1ccc(cc1)Cc1nnc2n1CCCCC2)(OC)C	EMOLS-id_318142135	342.478	GWXDUEWTOSAFSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070801
CCn1cc(CN2Cc3cccn3C[C@H](CCOCC3CC3)C2)cn1	ZINC22_585095573	342.478	XYEGWPMYEUAUCJ-GOSISDBHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070802
CCn1cc(CN2Cc3cccn3C[C@@H](CCOCC3CC3)C2)cn1	ZINC22_585095574	342.478	XYEGWPMYEUAUCJ-SFHVURJKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070803
CCn1cc(CN2CC(CCOCC3CC3)Cn3cccc3C2)cn1	EMOLS-id_313748660	342.478	XYEGWPMYEUAUCJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-070804
CN(C(=O)c1cc2c(s1)CCCCC2)c1nc2ccccc2s1	MCULE-2845831830,EMOLS-id_33342103,ZINC22_26957934,PC-id_34250228	342.478	FWJKNCKCIJPZJJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070805
N#Cc1c(NC(=O)/C=Cc2cccs2)sc2c1CCCCCC2	CoCoCo_6800701	342.478	SESNHDVPEIKYQU-KTKRTIGZSA-N	00000000100100000100000000000010000000000000000000000000	31-01-070806
N#Cc1c(NC(=O)/C=C/c2cccs2)sc2c1CCCCCC2	TIMTEC445531,PC-id_5416431,EMOLS-id_45936663,CoCoCo_6800700,SPECS-id_AK-968/12975407,ZINC22_484034	342.478	SESNHDVPEIKYQU-MDZDMXLPSA-N	00000000100100000100000000000010000000000000000000000000	31-01-070807
O=C(c1cc2c(s1)CCCCC2)N1CCN(CC1)c1cc[nH+]cc1	GD-id_ZINC08121909,PC-id_9254299	342.478	PZRZPMZNEFFUJI-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-070808
O=C(c1cc2c(s1)CCCCC2)NCc1nc2c(s1)cccc2	PC-id_112765338	342.478	VBZQAQGXGFQEOS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070809
O=C(CCc1cc2n(n1)CCCN(C[C@H]1CC=CCC1)C2)NC1CC1	ZINC22_91678081,PC-id_97134555	342.478	ZDLOUFVJGBLCMH-INIZCTEOSA-N	00100000100011000101000000000010000000000000000000000000	31-01-070810
O=C(CCc1cc2n(n1)CCCN(C[C@@H]1CC=CCC1)C2)NC1CC1	ZINC22_91678086,PC-id_97134556	342.478	ZDLOUFVJGBLCMH-MRXNPFEDSA-N	00100000100011000101000000000010000000000000000000000000	31-01-070811
O=C(NCc1cc2n(n1)CCCN(C[C@H]1CC=CCC1)C2)C1CCC1	PC-id_96578760,ZINC22_82136705	342.478	VXHCSNIHEAZTBR-INIZCTEOSA-N	00001000100011000101000000000010000000000000000000000000	31-01-070812
O=C(NCc1cc2n(n1)CCCN(C[C@@H]1CC=CCC1)C2)C1CCC1	ZINC22_82136706,PC-id_96578761	342.478	VXHCSNIHEAZTBR-MRXNPFEDSA-N	00001000100011000101000000000010000000000000000000000000	31-01-070813
s1c2CCCCCc2cc1C(=O)Nc1sc2c(n1)ccc(c2)C	PC-id_7919942	342.478	KITANAOEKKMYFP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070815
s1c2CCCCCc2cc1C(=O)/N=c/1sc2c(n1C)cccc2	PC-id_7942938	342.478	WLPPTPHPIQCHHJ-HNENSFHCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070816
s1c2CCCCCCc2c(c1NC=CC(=O)c1sccc1)C#N	PC-id_16680602	342.478	DISWEJHLYNAIQA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-070817
S1C(CN(Cn2nc3n(CCCCC3)c2=S)CC1)C(=O)OC	PC-id_84958737	342.48	ZFCQQRHFCRGCTJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070818
S1[C@@H](CN(Cn2nc3n(CCCCC3)c2=S)CC1)C(=O)OC	PC-id_9233077	342.48	ZFCQQRHFCRGCTJ-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-070819
S1[C@H](CN(Cn2nc3n(CCCCC3)c2=S)CC1)C(=O)OC	PC-id_9233081	342.48	ZFCQQRHFCRGCTJ-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070820
c12CN(C)CCCn1nc(CN1CCC(CC1)CCn1cccn1)c2	EMOLS-id_43172560,PC-id_56914449,ZINC22_72168753,MCULE-9201186894	342.482	IPWLPHWPAVUITL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070821
c12CN(CCCn1nc(CNc1c(CC)cnc(C)n1)c2)CC(C)C	PC-id_70737492,MCULE-7073278154,ZINC22_82108891,EMOLS-id_44435009	342.482	WPEFFMNCPDYICU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070822
c12CN(CCCn1nc(CNc1cc(CC)nc(C)n1)c2)CC(C)C	ZINC22_82097821,PC-id_70721250,EMOLS-id_44429257,MCULE-5230399701	342.482	LOYQXLKBUPHYPI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070823
c1ccc(c2nc(CSc3nnc4n3CCCCC4)cs2)cc1	MCULE-3604145239,EMOLS-id_45708082,PC-id_7876767,ZINC22_6097257	342.482	YWLRBMODJBSFEL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-070824
Cc1cc(CN2Cc3ccnn3C[C@@H](CN3CCCCC3)C2)n(C)n1	ZINC22_306136435	342.482	PTINUOSUAPCEAR-KRWDZBQOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070825
Cc1cc(CN2Cc3ccnn3C[C@H](CN3CCCCC3)C2)n(C)n1	ZINC22_306136436	342.482	PTINUOSUAPCEAR-QGZVFWFLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070826
Cc1cc(CN2CC(CN3CCCCC3)Cn3nccc3C2)n(C)n1	EMOLS-id_50376053	342.482	PTINUOSUAPCEAR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070827
CCn1cc(CN2Cc3ccnn3C[C@H](CN3CCCCC3)C2)cn1	ZINC22_306143758	342.482	YLLYLGAXVYUTEX-GOSISDBHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070828
CCn1cc(CN2Cc3ccnn3C[C@@H](CN3CCCCC3)C2)cn1	ZINC22_306143759	342.482	YLLYLGAXVYUTEX-SFHVURJKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070829
CCn1cc(CN2CC(CN3CCCCC3)Cn3nccc3C2)cn1	EMOLS-id_50373265	342.482	YLLYLGAXVYUTEX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070830
Cn1ncc(c1)CC1CCCC1NCCc1nnc2n1CCCCC2	EMOLS-id_316571372	342.482	ZFLZCTAHBXHLMH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-070831
CN(C)CCN1CCc2ncc(CN(C)Cc3cccnc3)n2CC1	PC-id_97415885,ZINC22_96100560,EMOLS-id_46340191	342.482	PQRIIYJFMDMWLY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070832
c1(C#N)c2CCCCCCCCCCc2sc1NCc1ccco1	CoCoCo_6876918,STOCK2S-92021,SPECS-id_AE-848/13008300,PC-id_1559722,MCULE-4926503060,EMOLS-id_3738300,ZINC22_1763493	342.498	IUPIWDIRRBHULQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-070833
c1(C(=O)NCCN(CC)c2ccccc2)csc2CCCCCc12	MCULE-3317162508,EMOLS-id_16062881,CoCoCo_2171608,PC-id_20881886	342.498	RIHUZTWCPCILHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070834
c1(N=Cc2ccc(cc2)O)sc2c(CCCCCCCCCC2)n1	MCULE-4463256149	342.498	SXBOAJQKZSLWSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070835
c1(N=Cc2ccccc2O)sc2c(CCCCCCCCCC2)n1	MCULE-5096354601	342.498	NUSJOJFCLYSOBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070836
CC(N1CCCc2c(C1)ccs2)C(=O)NCCc1ccccc1C	EMOLS-id_318027050	342.498	ZLAXFCGAMUHIRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070837
CN(C)Cc1cccc(CNC(=O)c2cc3c(s2)CCCCC3)c1	PC-id_40275151,EMOLS-id_36996008,ZINC22_33084732,MCULE-8627599588	342.498	JPUNRTLPXUOFSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070838
CN(C)CCN(C(=O)c1cc2c(s1)CCCCC2)c1ccccc1	PC-id_71935762,MCULE-5748396055,EMOLS-id_45643727,ZINC22_63829510	342.498	KHOYUYUWZDGVTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070839
Oc1ccccc1/C=N/c1nc2CCCCCCCCCCc2s1	ZINC22_2213677,EMOLS-id_26310567,PC-id_135648319,STOCK3S-57742	342.498	NUSJOJFCLYSOBY-RCCKNPSSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070840
Oc1ccc(cc1)/C=N/c1sc2c(n1)CCCCCCCCCC2	STOCK3S-61514,PC-id_135648320,EMOLS-id_26311918,ZINC22_2220332	342.498	SXBOAJQKZSLWSJ-RCCKNPSSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070841
O=C(c1cc2c(s1)CCCCCC2)N1CCC(n2cccc2)CC1	PC-id_71881880,ZINC22_78716861,EMOLS-id_43643726,MCULE-8353437441	342.498	QEJXGMUXQQIPCF-UHFFFAOYSA-N	00000000110010000100100000000010000000000000000000000000	31-01-070842
P(=Cc1cc2-c(c1)ccccc2)(CCCC)(CCCC)CCCC	PC-id_85767174	342.498	XHVPYFGZVRYQAL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070843
s1c2CCCCCc2cc1C(=O)Nc1ccc(CCN(C)C)cc1	PC-id_56499045	342.498	IBGOPAYNDKJPME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070844
s1c2CCCCCc2cc1C(=O)Nc1ccc(N(CC)CC)cc1	PC-id_7900382	342.498	LESGSPSQHRZUHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070845
s1c2CCCCCc2cc1C(=O)NCc1ccc(CN(C)C)cc1	PC-id_9537349	342.498	BYHGFYMANPSEED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070846
s1c2CCCCCc2cc1C(=O)NCc1c(CN(C)C)cccc1	PC-id_8140099	342.498	XHLIMXRMQHUDPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070847
s1c2CCCCCc2cc1C(=O)NC(CN(C)C)c1ccccc1	PC-id_84876534	342.498	MYKGHUQSCIFTDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070848
s1c2CCCCCc2cc1C(=O)N[C@@H](CN(C)C)c1ccccc1	PC-id_8936973	342.498	MYKGHUQSCIFTDG-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070849
s1c2CCCCCc2cc1C(=O)N[C@H](CN(C)C)c1ccccc1	PC-id_8936977	342.498	MYKGHUQSCIFTDG-QGZVFWFLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070850
s1c2CCCCCCc2cc1C(=O)N(C(C)C)Cc1cccnc1	PC-id_52663796	342.498	RBNVWCMCRQKRMW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-070851
s1c2CCCCCCc2cc1C(=O)N(C(C)C)Cc1ncccc1	PC-id_52689837	342.498	PCLKXKDOFFTSLV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-070852
s1c2CCCCCCCCCCc2nc1N/C=C
/C=CC(=O)C=C1	PC-id_5589968	342.498	RXOBUAFHAGYPHG-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-070853
s1c2CCCCCCCCCCc2nc1N/C=C
/C(=O)C=CC=C1	PC-id_17573315	342.498	VANBDOJROOAPIC-FOCLMDBBSA-N	00000000100011000101000000000010000000000000000000000000	31-01-070854
s1c2CCCCCCCCCCc2nc1NC=C1C(=O)C=CC=C1	PC-id_6771566	342.498	VANBDOJROOAPIC-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-070855
CS(=O)(=O)Cc1nc(CN2CCCc3sccc3C2)cs1	PC-id_75374938,ZINC22_75718550,EMOLS-id_48244949,MCULE-7101995646	342.5	DUBHTLNGYNTZMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070857
C1CCn2c(CC1)nnc2CCCN1CCC(=CC1)c1cccs1	SCHEMBL7961231,PC-id_59939365	342.502	HBSIZBWLYAORLE-UHFFFAOYSA-N	00000000100111000101100000000010000000000000000000000000	31-01-070858
COCCCCn1cc(c2c1C(=C(C)CCC=C2)C)C(NC1CC1)C	SCHEMBL17188982,PC-id_118457663	342.518	XYLDEXXBEBKASI-UHFFFAOYSA-N	00100000100000000110000000000010000000000000000000000000	31-01-070859
S(c1oc(c2CCCCCc12)CCCCCCC)c1ccccc1	PC-id_13780472	342.538	PRJUTYYTCVPKMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070860
c12SC/C(=NNc3ccccc3)/CSc1sc(=S)s2	TIMTEC385392,MCULE-3058677933,CoCoCo_1948644,ZINC22_4565264,PC-id_3959469	342.546	PPPFNZFQWZIXRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070861
S1CC(=CSc2sc(=S)sc12)NNc1ccccc1	PC-id_1649812	342.546	XRNPVZSAMNBUCK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070862
CCCCC(CSCCCC1COc2c(OC1)csc2)CC	SCHEMBL10328438,PC-id_68111184	342.56	LILULHYPQRNYMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070863
s1sc(=S)c2CCCCCCCCCCCCCCCc12	PC-id_10291119	342.626	ODPNTTKYEYPRQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070864
O=C(Nc1c(F)cc(cc1F)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102012568	342.732	GBFZOKALYQCDQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070865
FC(Oc1ccc(cc1NCc1nnc2n1CCCCC2)Cl)F	EMOLS-id_318196505	342.771	XEFGQEPVFBVADB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070866
Clc1c2OCOc2cc(C=C(c2n3CCCCCc3nn2)C#N)c1	EMOLS-id_257866385,PC-id_44482825,MCULE-5828581073	342.78	ODYFBPWNELWJDW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070867
Clc1c2OCOc2cc(/C=C(/c2n3CCCCCc3nn2)C#N)c1	PC-id_9187296	342.78	ODYFBPWNELWJDW-WUXMJOGZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070868
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(c(c1F)F)Cl	MCULE-4526144500,EMOLS-id_319906857	342.791	GBPCJCSZRIVGFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070869
COc1ccc(cc1Cl)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320259118,MCULE-8932454271	342.801	WPQIFGOIHPSANH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070870
COc1cc(Cl)ccc1S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316707839	342.801	GPOLPJOOVZWZSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070871
CC1Cc2[nH]ncc2CN(C1)C(=O)c1c(Cl)c2c(n1C)cccc2	EMOLS-id_318790279	342.823	DUKQJSZLHYTRAL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-070872
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c[nH]c2c1cc(Cl)cc2	EMOLS-id_318941985	342.823	ZHYYHVSZTCYCNB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-070873
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1c[nH]c2c1c(Cl)ccc2	EMOLS-id_318843502	342.823	XIYMEYGBEDZURK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-070874
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1ccc2c1cc(Cl)cc2	EMOLS-id_319502101	342.823	ISNLIOFAEUVVOE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-070875
CC1CN(Cc2coc(n2)c2ccc(cc2)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_320216159,MCULE-7330620135	342.823	CWBJMKVBOGTCMP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-070876
CC1CN(Cc2ncc(o2)c2cccc(c2)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319480978	342.823	LPBAUDBKAAANNU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-070877
Clc1ccc2c(c1)c(c([nH]2)C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674703	342.823	GADJOWQGLRRIOK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-070878
O=C(c1[nH]c2c(c1C)cccc2Cl)N1CCCc2c(C1)cnn2C	EMOLS-id_101680010	342.823	OPPMOPOQAOHZPA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-070879
Cc1c(c2ccc(Cl)cc2)nnn1Cc1nnc2n1CCCCC2	EMOLS-id_316147513,ZINC22_569579918,MCULE-1005774686	342.826	JYAPYLHGHVEQJA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-070880
CC1CN(Cc2ccc(cc2n2cncn2)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319259721	342.826	WMUCEINPXQBREA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-070881
CC1CN(Cc2nnn(c2)c2ccc(cc2)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319703058	342.826	AMOKNVFYSOULRR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-070882
Clc1ccc(cc1N)S(=O)(=O)N1CCCCc2c1ccs2	SCHEMBL5479425,PC-id_23119776	342.864	KLNPZZCZBPQFDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070883
Clc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807931	342.864	PSXGLCCIDNWXGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070884
Clc1cccc(c1)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807941	342.864	TXLIHYPMYNZEHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070885
Clc1ccccc1S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807951	342.864	VFAGGJRXDLWHAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070886
Clc1cc(c(/N=c/2sc(=S)n3n2CCOCC3)nc1C)C	PC-id_18717174	342.867	OLMHTBOWBMJLPQ-VBKFSLOCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070887
Clc1sc(CNCCSc2n3CCCCCc3nn2)cc1	PC-id_62576480	342.91	XDUHISDQSOBNSN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070888
Clc1sc(CN(Cn2nc3n(CCCCC3)c2=S)C)cc1	PC-id_9171783	342.91	JLUPMFBUGWGLNK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070889
Clc1sc(C(Sc2n3CCCCCc3nn2)C(N)C)cc1	PC-id_61628456	342.91	IUMXYYPHBJRVDW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070890
CC1=C=CC=C2C=C(SC2=C1)C(=O)N(C)I	PC-id_163660734	342.953	IUEAAYTUVPVUIF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-070891
CI=1=CC=CC2=C(C1[N+](=O)[O-])C(=CN2)CC#N	PC-id_154548342	342.982	XDDHJVPABNIRDT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-070892
Brc1c2-c(c(Br)c1NC(=O)C)ccccc2	PC-id_85682856	343.014	BERDTAIJNAVBEV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070893
Br.n1c(oc2c1CCN(CC2)CC)N.Br	CHEMBL545381	343.059	CLDZDTIFTQFQHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070894
CN1C(=CC(=N1)CNC(=O)[C@H]2CCC3=NN=NN3CC2)C(F)(F)F	PC-id_164630298,ZINC22_890010792	343.137	YQRUSGKVYMVRIP-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070895
CC1=CC(=CC(=C1)COC(=O)N2CCC3=NC=C(N3CC2)C(=O)O)C	PC-id_161421936	343.153	VWVQFZFRWUACNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070896
COC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=NNC3=C2CCCCC3	EMOLS-id_257919874,MCULE-6137229448,PC-id_154754277	343.153	DSTMRXBJXGBWBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070897
CC(=C)C(=O)OCC[N+](C)(C)OC(=O)CC1=CNC2=C1C=CC#CC2	PC-id_147756982	343.165	YQAJWFFGSRIEJS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-070898
CC(C)N(C1=NC2=C(S1)CCN(CC2)CC3=CC=CC=C3)C(=O)C	PC-id_163922490	343.172	RBPPCJZPKLPRMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070899
CCN(CC)C1=CC=C2C(=C(C=C2C(=O)OCC)C(=O)OCC)C=C1	PC-id_165345732	343.178	RAWPAFIIQRFWRN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070900
CC1=CC(=C(C=C1)CNC(=O)C2CCC3=NN=NN3CC2)OC(C)C	PC-id_154763044,EMOLS-id_317324769,MCULE-4445342706	343.201	AEFLTRRNUWJGDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070901
O=C(c1sncc1Br)NC1CCn2c(CC1)nnn2	EMOLS-id_319866640	343.203	DRNIMCFWTBIGDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070902
C/C=C(/C1=CC=C(C=C1)CC2(CCCCCC3=C2N=NN3C)F)OC	PC-id_155241267	343.206	AYKDGONWMZDCKA-LMXLVEHLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070903
CN1[C@H]([C@@H](CC1=O)NCC2=NN=C3N2CCCCC3)C4=CC=NN4C	PC-id_154736241,EMOLS-id_317279956,MCULE-1472172395	343.212	ADLOQNMSFPFUBY-SJKOYZFVSA-N	00000010100000000101100000000010000000000000000000000000	31-01-070904
Brc1cnc(c(c1)F)Sc1nnc2n1CCCCC2	PC-id_108166292	343.218	DCEQRMQDTCZLPI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-070905
BrCCCCC(=O)Nc1nn2c(c1)CN(CCC2)C=O	PC-id_144720772	343.22	CJQTUYLENTWZHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070906
Brc1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1	PC-id_3705391,EMOLS-id_26092917,MCULE-6314135676	343.221	MNWFSXNYJWNNAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070907
Brc1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1	PC-id_5899880,CoCoCo_3456400	343.221	MNWFSXNYJWNNAO-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070908
Brc1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1	PC-id_4809589,EMOLS-id_43879275,MCULE-7529226581	343.221	KXRYCNDIHXCSIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070909
Brc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1	PC-id_6213818,CoCoCo_3456305	343.221	KXRYCNDIHXCSIE-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070910
Brc1ccc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1	CoCoCo_3456294,PC-id_75409607	343.221	XSOKIAHIMRLVMX-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070911
Brc1ccc(/C=C(C#N)/c2nnc3CCCCCn23)cc1	CoCoCo_3456293,Chemmine_54492,PC-id_5831817,SPECS-id_AT-225/NB58528,EMOLS-id_207240203,MS2_L150487	343.221	XSOKIAHIMRLVMX-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070912
c1(C(=Cc2ccc(cc2)Br)C#N)nnc2CCCCCn12	PC-id_3456688,EMOLS-id_26092805,MCULE-7320816522	343.221	XSOKIAHIMRLVMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070913
N#C/C(=C/c1cccc(c1)Br)/c1nnc2n1CCCCC2	CoCoCo_3456306	343.221	KXRYCNDIHXCSIE-LCYFTJDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-070914
N#C/C(=C/c1ccccc1Br)/c1nnc2n1CCCCC2	CoCoCo_3456401	343.221	MNWFSXNYJWNNAO-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070915
Cn1nc2CCN(Cc3ccc(Br)s3)CCn2c1=O	EMOLS-id_50585911,MCULE-3914546619,CHEMBL4538601,PC-id_91910631	343.243	HRRJHMLRCHEAIF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-070916
Brc1n2c(CN(CCC2)C)c(n1)C(=O)NCC(C)(C)C	PC-id_70792981,SCHEMBL12882785	343.263	OEEYMPFKFUYQHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070917
BrC(C(C)C)C(=O)NC(c1n2CCCCCc2nn1)C	PC-id_43700649	343.263	MEVZMSYWFHJNHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070918
BrCCCCC(=O)NC(c1nnc2n1CCCCC2)C	PC-id_107908972	343.263	YIFLPGCTEUABFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070919
C1CCc2c(CC1)[se]c(c2C#N)N=Cc1ccccc1O	PC-id_136880220	343.282	FSJCDLAYEJVXPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070920
ClC(c1sc2c(CCCCC2)c1)c1cc(c(F)cc1Cl)C	PC-id_81047961	343.286	IINVAVXVEUWHBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070921
ClC(c1sc2c(CCCCC2)c1)Cc1c(Cl)cccc1F	PC-id_63518652	343.286	SIHIWRGDKBOKKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-070922
CCCC(C)(C)C(CNC(C)(C)C)C1=CC2=C(O1)C=CC(C=C2)(C)C	PC-id_164917754	343.288	WBWSIHXOFKOBQU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-070923
Brc1cscc1C(c1cc2c(s1)CCCCC2)O	PC-id_115820106	343.302	OIRBRBQVBAXCHS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-070924
Brc1c(scc1)C(O)c1sc2c(CCCCC2)c1	PC-id_80536051	343.302	YCOTUHWREVRSOJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-070925
Brc1sc(C(O)c2sc3c(CCCCC3)c2)cc1	PC-id_61081759	343.302	FJBZZFDMKDAIQE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-070926
O=c1n(C)cc(c(=O)n1Cc1nnc2n1CCCCC2)C(F)(F)F	EMOLS-id_318983266	343.304	VEQOQZNXGPWROQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-070927
O=C(c1noc2c1CCCCC2)NC(c1nnc([nH]1)C(F)(F)F)C	EMOLS-id_320041329,MCULE-1437024806	343.304	VWLFRKOLQZVXAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070928
O=C(c1ocnc1C(F)(F)F)NCCc1nnc2n1CCCCC2	EMOLS-id_318965690	343.304	WWNWLGRTZQIITK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070929
O=C(N1CCCc2c(C1)cco2)NCC(C(F)(F)F)n1cncn1	EMOLS-id_319053387	343.304	GXEIQKRRBXDTMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070930
Cn1c(cc(n1)CNC(=O)C1CCc2nnnn2CC1)C(F)(F)F	MCULE-2457428249,EMOLS-id_316982208,PC-id_136567611	343.308	YQRUSGKVYMVRIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070931
Cn1nc(CNC(=O)[C@@H]2CCc3nnnn3CC2)cc1C(F)(F)F	ZINC22_890010791	343.308	YQRUSGKVYMVRIP-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070932
c12CN(CCCn1nc(CO)c2)Cc1ccc(c(F)c1)C(F)(F)F	EMOLS-id_55652682,MCULE-5552237243,PC-id_91777533	343.319	NFYWYGRTLGVVLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070933
Brc1nc2c(s1)CCN(CC2)CCC1CCCCC1	PC-id_145452172	343.326	QFDZDLAFHQLREH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-070934
COC(=O)/C=C(c1c2-c(c(c1N)C(=O)OC)ccccc2)/C(=O)OC	PC-id_101178017	343.331	TVGDYNBEVHUYFE-FMIVXFBMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070935
O(C(=O)c1c(N(C(=O)C)C(=O)C)c(c2-c1ccccc2)C(=O)OC)C	PC-id_85629061	343.331	ROPYHIHALIFVFG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-070936
c1(coc2CCCC(=O)c12)C(=O)N1CCCn2c(cc(n2)C(=O)O)C1	ZINC22_65410917,EMOLS-id_32404710,PC-id_50967442,MCULE-4979079400	343.334	OTPLLDZTBYZTJO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-070937
c1(C(=O)N)cn2c(CCN(CC2)C(=O)Nc2ccc3c(OCO3)c2)n1	ZINC22_1875249210,MCULE-2302123993,EMOLS-id_331088700	343.337	LZQNVKFQTBGNNO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070938
Nc1nc(=O)c2c(ncn2COCCOCc2ccccc2)c(=O)[nH]1	PC-id_503439,BindingDB_PC-id_503439,CHEMBL175888	343.337	TZRXWOBFYHRJMN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070939
Cn1nc2CCN(CCn2c1=O)C(=O)c1ccc(Cn2cncn2)o1	MCULE-3778069237,PC-id_91922403,EMOLS-id_50588409	343.341	RWDKMYFKGPANEZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-070940
n12cc(ccc1nnn2)C(=O)N1CCCn2c(cc(n2)C(CO)O)C1	EMOLS-id_55662907,MCULE-9736419479,PC-id_91781048	343.341	UNBRGSKZJIVQHU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070941
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccc2n(c1)nnn2)O	PC-id_99977722	343.341	UNBRGSKZJIVQHU-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070942
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccc2n(c1)nnn2)O	PC-id_99977725	343.341	UNBRGSKZJIVQHU-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070943
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)CCC(F)(F)F	PC-id_90625688	343.346	RXDOKYCZGVNAMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070944
Cc1cc(c(cc1F)F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026788	343.352	KRNWLOIVEWOKMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070945
CCOC(=O)C1=CN(CC(c2c1[nH]nc2)C)C(=O)c1ccc(cc1)F	PC-id_145087391	343.352	LTKOXFUFVMNHRD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070946
COC(=O)C1=CN(CC(c2c1cn[nH]2)(C)C)C(=O)c1ccc(cc1)F	SCHEMBL17777844,PC-id_121358776	343.352	GRYGKYNROXAWAN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070947
COC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(cc1)F	SCHEMBL17777841,PC-id_121358773	343.352	NUCLZXYSTWAFHU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-070948
Fc1cc(c(cc1C)F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028460	343.352	ZHWHVPKNIHTEQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070949
Fc1ccc(cc1)N1CC(C1=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101047438	343.352	DGCZZCXRMKVILC-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-070950
OCC(n1nnc(c1)C(=O)N1CCCCc2c1sc(n2)C)(F)F	EMOLS-id_318806561	343.352	OEDMGHJGUWOXDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070951
FC1(CC1)C(=O)N1CC(Cn2ncnc2C1)C(=O)Nc1ccccc1	EMOLS-id_313722583	343.356	KTYUHNKDBAAZES-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-070952
Fc1ccc(cc1)N1CC(C1=O)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319702379	343.356	IBKUMLRQMCYRRO-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-070953
O=C(Nc1ccccc1)[C@@H]1CN(C(=O)C2(F)CC2)Cc2ncnn2C1	ZINC22_1565545686	343.356	KTYUHNKDBAAZES-GFCCVEGCSA-N	00100000100000110101000000000010000000000000000000000000	31-01-070954
O=C(Nc1ccccc1)[C@H]1CN(C(=O)C2(F)CC2)Cc2ncnn2C1	ZINC22_1614927355	343.356	KTYUHNKDBAAZES-LBPRGKRZSA-N	00100000100000110101000000000010000000000000000000000000	31-01-070955
O=C(NCCc1noc2cc(F)ccc12)[C@@H]1CNCc2ccnn2C1	ZINC22_1875304884	343.356	YKABZGDZUNYZJA-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070956
O=C(NCCc1noc2cc(F)ccc12)[C@H]1CNCc2ccnn2C1	ZINC22_1875304885	343.356	YKABZGDZUNYZJA-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-070957
c12nnnn1CCCCC2C(=O)N(C)Cc1[nH]c2c(ccc(F)c2)n1	EMOLS-id_316274234,MCULE-1468157099	343.359	YUYJRMBTKLBSBI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070958
CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_1506418465	343.359	YUYJRMBTKLBSBI-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-070959
CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1CCCCn2nnnc12	ZINC22_1506418468	343.359	YUYJRMBTKLBSBI-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-070960
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1n[nH]c(c1)c1ccco1	PC-id_90625275	343.36	IKZDHVLVOIKMCR-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-070961
S(=O)(=O)(NCCc1n[nH]nn1)CC1n2c(noc2=O)CCCC1	PC-id_22901386	343.362	DEJMHSDAZOHBTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070962
O=C(NCCc1nnc2n1CCCCC2)N1CC[C@H](OC(F)F)C1	MCULE-5714490617,EMOLS-id_177200726,ZINC22_606442325	343.372	ZXADODZCTDSIQB-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-070963
CC1CN(Cc2ccn(n2)c2ccc(cc2F)F)Cc2c(C1)[nH]nc2	EMOLS-id_318891187	343.374	XRPRLLWQIUYDOO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-070964
CC1CN(Cc2ccn(n2)c2c(F)cccc2F)Cc2c(C1)[nH]nc2	EMOLS-id_320273359,MCULE-7366555618	343.374	ZZRARWDAERZFQO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-070965
FC(CN1CCCN(CC1)C(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102166987	343.376	ASMWIHGOGOQFHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070966
c12CN(CCCn1nc(C(CC)O)c2)C(=O)c1ccc2c(OCO2)c1	MCULE-8458740364,EMOLS-id_50539109,PC-id_90650959	343.377	FRFQUUJIGSHGDP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070967
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(cc1)C(=O)O	PC-id_56894281,ZINC22_72424895,EMOLS-id_43107381,MCULE-5495555078	343.377	HTBUPSQQLZHLCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070968
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Cc1cccc(O)c1	MCULE-2057185032,SCHEMBL16099772,ZINC22_72474082,PC-id_70771122,EMOLS-id_43161164	343.377	OOCIQAHXMNGWRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070969
c1(C(=O)OC)cc2n(CCCN(C(=O)CCOc3ccccc3)C2)n1	MCULE-1436545396,EMOLS-id_32376766,ZINC22_65376075,PC-id_50952683	343.377	XDABJAYVYFDJAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070970
C=C/C=C
/C(=O)N(Cc2c(/C1=C/C=C)c(N)no2)C(=O)OC(C)(C)C	PC-id_145680296	343.377	SBMQUPBKIDVSDI-HZOWPXDZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-070971
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3c(c1)OCO3)C2	PC-id_100065565,ZINC22_221156157	343.377	FRFQUUJIGSHGDP-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070972
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc3c(c1)OCO3)C2	ZINC22_221156204,PC-id_100065566	343.377	FRFQUUJIGSHGDP-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070973
CCOC1CN(Cc2ccnn2C1)C(=O)Cc1ccc2OCOc2c1	EMOLS-id_50010718	343.377	WBNZOFGRNKJSAL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070974
CCOCC1CCn2cncc2CN1C(=O)c1ccc2OCOc2c1	EMOLS-id_313816102	343.377	QJXPQOVIQZTTQJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070975
CCOCC1CN(Cc2cncn2C1)C(=O)c1ccc2OCOc2c1	EMOLS-id_49229835	343.377	NLJZXUCLUYLSQZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070976
CCOCC1CN(Cc2nccn2C1)C(=O)c1ccc2OCOc2c1	EMOLS-id_44325849	343.377	PJBMJPIEUDZGOA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070977
CCOC[C@@H]1CCn2cncc2CN1C(=O)c1ccc2c(c1)OCO2	ZINC22_585097804	343.377	QJXPQOVIQZTTQJ-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070978
CCOC[C@H]1CCn2cncc2CN1C(=O)c1ccc2c(c1)OCO2	ZINC22_585097805	343.377	QJXPQOVIQZTTQJ-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070979
CCOC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cncn2C1	PC-id_97475368,ZINC22_96207241	343.377	NLJZXUCLUYLSQZ-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070980
CCOC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cncn2C1	PC-id_97475369,ZINC22_96207242	343.377	NLJZXUCLUYLSQZ-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070981
CCOC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2nccn2C1	PC-id_97462270,ZINC22_96187817	343.377	PJBMJPIEUDZGOA-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070982
CCOC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2nccn2C1	ZINC22_96187816,PC-id_97462269	343.377	PJBMJPIEUDZGOA-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070983
CCO[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_253386238	343.377	WBNZOFGRNKJSAL-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070984
CCO[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_253386239	343.377	WBNZOFGRNKJSAL-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070985
CCOC(=O)c1cc2n(n1)CCN(CC2)C(=O)OCc1ccccc1	PC-id_69174187,SCHEMBL4751287	343.377	POTUFUSUAAVTSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070986
CCOC(=O)c1cnn2c1CCN(CC2)C(=O)OCc1ccccc1	SCHEMBL17112978,PC-id_118394538	343.377	VETWMDHFAZYTNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070987
CC(OC(=O)N1CCn2c(CC1)cc(n2)C(=O)O)Cc1ccccc1	SCHEMBL4751289,PC-id_69174189	343.377	KYRFFNCXZJOSMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070988
COCC1CN(Cc2cncn2C1)C(=O)Cc1ccc2OCOc2c1	EMOLS-id_49228635	343.377	FRYDUTDRBLAXHB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070989
COC[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cncn2C1	ZINC22_96206464,PC-id_97474626	343.377	FRYDUTDRBLAXHB-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070990
COC[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cncn2C1	ZINC22_96206465,PC-id_97474627	343.377	FRYDUTDRBLAXHB-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070991
COC(=O)CN1CCCC(=O)c2c1nn(c2)Cc1ccc(cc1)OC	PC-id_117701700,SCHEMBL16242858	343.377	IGFKJTWFWVJFHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070992
N#Cc1[nH]c2c(c1)C(C)(C)CN(C=C2C(=O)O)C(=O)C1CCOCC1	PC-id_68965436,SCHEMBL4228566	343.377	DZWKSCWBTBQOTK-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-070993
o1nc(c2CCCCCc12)C(=O)N1CCN(CC1)C(=O)c1occc1	CoCoCo_2401399,EMOLS-id_17457114,PC-id_46280218	343.377	IFOVUKUOXPBZCA-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-070994
O=C(c1c2c(CCCCC2)[nH]n1)NCCOc1cc2c(OCO2)cc1	EMOLS-id_323255474,MCULE-5080582195	343.377	LHLWSCUIZNFZHU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-070995
O=C(c1coc2c1C(=O)NCC(C2)(C)C)N1CCC(C1)c1nocc1	EMOLS-id_318910555	343.377	COWMFYKHOLZTAC-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-070996
O=C(N1CCC[C@H]1c1nocc1)c1coc2c1C(=O)NCC(C2)(C)C	EMOLS-id_319232368	343.377	KUPLTZCRLUALPO-ZDUSSCGKSA-N	00000010100000000101100000000010000000000000000000000000	31-01-070997
OC(=O)c1ccc(cc1)OCCNC(=O)c1cnc2n1CCCCC2	EMOLS-id_316319129,MCULE-5043839879	343.377	LRPRWGSNGRGGCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-070998
O(C(=O)C1n2c(N(C=C(C1)C(=O)C)C(=O)C)c(c(c2C)C)C#N)CC	PC-id_12857817	343.377	MFDLLBWNASXLNG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-070999
O=C(O)COc1cccc(CNC(=O)c2cnc3n2CCCCC3)c1	ZINC22_1875270909,PC-id_146109096,MCULE-2242841474,EMOLS-id_324069498	343.377	FOGWOACNNKOSOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071000
CCOC(=O)c1c(Nc2nc3-c(c2)ccccc3)nc2-c1ccccc2	PC-id_101439650	343.379	FCUFUCYDAWVALZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071001
O=CNc1ccc(cc1)C#Cc1n(C)c2=CC(=CCC=c2c1C#N)OC	PC-id_143185509	343.379	UJYWYFRTEANNEI-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-071002
c12CN(CCCn1nc(CNC(=O)c1ccnc(OC)c1)c2)C(=O)C	PC-id_70727995,MCULE-7890329719,EMOLS-id_44431625,ZINC22_82106096	343.38	HKDZZMRTWFYMHZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071003
c12CN(CCCn1nc(CNC(=O)c1ccno1)c2)C(=O)C1CCC1	MCULE-2279755776,ZINC22_82138666,EMOLS-id_232811767,PC-id_86283629	343.38	HZUCBAJLZQUSFM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-071004
c1(cn2c(CCN(CC2)C(=O)c2cc[nH]c2)n1)C(=O)N1CCOCC1	EMOLS-id_331121411,MCULE-8771337232,ZINC22_1875241368	343.38	BTNUDWZTRQFGOR-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-071005
c1(C(=O)N2CCOCC2)cc2n(CCCN(C(=O)c3ccc[nH]3)C2)n1	PC-id_50954142,ZINC22_67642461,MCULE-8021290409,EMOLS-id_32379566	343.38	DYKVRZNCYLUYDZ-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-071006
c1(C(=O)NCCc2ccccn2)cn2c(CCN(CC(=O)O)CC2)n1	ZINC22_1940196238,MCULE-8882231757,EMOLS-id_336509104	343.38	UKGARNHZHWBGLI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071007
Cc1ccc(c(=O)[nH]1)C(=O)N1CCc2nn(c(=O)n2CC1)CC1CC1	PC-id_91922565	343.38	LQWNMHZKBRNWAS-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-071008
CC1(C)CCNC(=O)c2cc(C(=O)NCC3(n4ccnn4)CC3)oc12	ZINC22_1875405990	343.38	UKAWJUGFRBJHTE-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-071009
Cc1cc(C(=O)N2Cc3nccn3C[C@H](CN3CCCC3=O)C2)no1	PC-id_97462890,ZINC22_96188452	343.38	SSSYPGPHVRMRJN-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071010
Cc1cc(C(=O)N2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)no1	PC-id_97462891,ZINC22_96188453	343.38	SSSYPGPHVRMRJN-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071011
Cc1cc(no1)C(=O)N1CC(CN2CCCC2=O)Cn2ccnc2C1	EMOLS-id_44326291	343.38	SSSYPGPHVRMRJN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071012
Cc1noc(C)c1C(=O)N1CCCn2ncc(C(=O)NC3CC3)c2C1	EMOLS-id_313763279,ZINC22_585110911	343.38	YPGTZEBAKNXWGH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071013
CC(=O)NCC(=O)N1CC(COc2cccnc2)Cn2c(C1)ncc2	PC-id_118743327,CHEMBL3551554	343.38	FSXZGYQCADNSRI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071014
Cn1ncc2c1CN(C(=O)CCNC(=O)c1ncccc1O)CCC2	ZINC22_2325821722	343.38	VGONCUIPPQTZBJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071015
Cn1ncc(c1)N1CCN(CC1=O)C(=O)c1noc2c1CCCCC2	EMOLS-id_100092549	343.38	ZCKRFZZYWMXWSV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071016
CN(C)C(=O)COC1CN(Cc2cccn2C1)C(=O)c1ccnnc1	EMOLS-id_313748403	343.38	VFQXDBUBYLYSCD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071017
CN(C)C(=O)CO[C@@H]1CN(C(=O)c2ccnnc2)Cc2cccn2C1	ZINC22_585095525	343.38	VFQXDBUBYLYSCD-HNNXBMFYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071018
CN(C)C(=O)CO[C@H]1CN(C(=O)c2ccnnc2)Cc2cccn2C1	ZINC22_585095526	343.38	VFQXDBUBYLYSCD-OAHLLOKOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071019
CNC(=O)c1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1	MCULE-1769359992,ZINC22_12851407,PC-id_25552218,CoCoCo_4560118,EMOLS-id_24130055	343.38	DJCLBLHJNSFJML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071020
COc1ccc(c(c1)C(=O)NC)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278131481	343.38	DHYGGMIZCGNDCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071021
COc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)NC(=O)C	MCULE-6311813281,EMOLS-id_320062415	343.38	OAVSCHZEXKDJTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071022
COC(=O)c1cccc(C(=O)N(C)Cc2nnc3n2CCCCC3)n1	PC-id_146123257,ZINC22_604075950	343.38	BBEXZGBNYYXSGZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071023
COC(=O)c1ccc(NC(=O)NCc2nnc3n2CCCCC3)cc1	EMOLS-id_36271605,MCULE-2855106829,PC-id_53529717,ZINC22_69617986	343.38	SYZKNQQITBIHHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071024
n12CCC(CCc1nn(CC1CC1)c2=O)NC(=O)c1ccc(nc1)O	EMOLS-id_168607896,MCULE-5120967361	343.38	OQMHWQFBABTQNH-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-071025
n1c(C(CO)O)cc2CN(CCCn12)C(=O)c1cnc(nc1)C1CC1	MCULE-8864555305,PC-id_91784168,EMOLS-id_55671851	343.38	QYISSTIBLFLKBC-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-071026
Oc1cc(ncn1)C(=O)N1Cc2ccnn2CCC1COCC1CC1	PC-id_137212868,EMOLS-id_313819427	343.38	RMXCCCCSCWFWJI-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-071027
Oc1ncccc1C(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91910911,MCULE-2055088176,EMOLS-id_50590596	343.38	RILFYXFCOZQTSB-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-071028
O=C(c1ccc(c(n1)C)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_121860835	343.38	JSYSHFCVDOBKFG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071029
O=C(c1cccc(n1)C(=O)O)NCCCc1nnc2n1CCCCC2	PC-id_119186766,MCULE-6371929904,EMOLS-id_72251920	343.38	MALNMLJQSJQECM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071030
O=C(c1ccc(nc1)C(=O)O)NCCCc1nnc2n1CCCCC2	MCULE-5614712765,PC-id_120515786,EMOLS-id_72331718	343.38	MSRQNHWGYFXPDB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071031
O=C(C1CCCO1)N1CCc2nnc(COc3ccccn3)n2CC1	EMOLS-id_46182159	343.38	HSVPDLUQTJPXNC-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-071032
O=C(c1ccnc(c1)C(=O)O)NCCCc1nnc2n1CCCCC2	EMOLS-id_72251918,MCULE-3635320667,PC-id_119186764	343.38	FTYJZXOCSAYZSO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071033
O=C(C1CCOC1)N1CCCn2nnc(COc3ccccn3)c2C1	EMOLS-id_46181791	343.38	FFBCYGRKAGNAHX-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-071034
O=C(c1cc(O)ncn1)N1Cc2ccnn2CC[C@H]1COCC1CC1	PC-id_137186395,ZINC22_585097834	343.38	RMXCCCCSCWFWJI-AWEZNQCLSA-N	00100000100000100101000000000010000000000000000000000000	31-01-071035
O=C(c1cc(O)ncn1)N1Cc2ccnn2CC[C@@H]1COCC1CC1	PC-id_137186396,ZINC22_585097835	343.38	RMXCCCCSCWFWJI-CQSZACIVSA-N	00100000100000100101000000000010000000000000000000000000	31-01-071036
O=C(c1nccc(c1)C(=O)O)NCCCc1nnc2n1CCCCC2	PC-id_122055832,MCULE-4064414210,EMOLS-id_72817057	343.38	ZORYYNBEILMHOM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071037
O=C(C(c1ccc2c(c1)OCO2)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102176477	343.38	KYFMQHTZSKVAHH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071038
O=C([C@@H]1CCCO1)N1CCc2nnc(COc3ccccn3)n2CC1	ZINC22_96084576,PC-id_97405402	343.38	HSVPDLUQTJPXNC-ZDUSSCGKSA-N	00000010100000101101000000000010000000000000000000000000	31-01-071039
O=C([C@H]1CCCO1)N1CCc2nnc(COc3ccccn3)n2CC1	ZINC22_96084577,PC-id_97405403	343.38	HSVPDLUQTJPXNC-CYBMUJFWSA-N	00000010100000101101000000000010000000000000000000000000	31-01-071040
O=C([C@@H]1CCOC1)N1CCCn2nnc(COc3ccccn3)c2C1	ZINC22_96084391,PC-id_97405218	343.38	FFBCYGRKAGNAHX-CYBMUJFWSA-N	00000010100000101101000000000010000000000000000000000000	31-01-071041
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OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1cnc(nc1)C1CC1)O	PC-id_99980668	343.38	QYISSTIBLFLKBC-HNNXBMFYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-071043
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1cnc(nc1)C1CC1)O	PC-id_99980672	343.38	QYISSTIBLFLKBC-OAHLLOKOSA-N	00100000100000100101100000000010000000000000000000000000	31-01-071044
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O=C(NCc1ccc2c(c1)OCO2)NCc1nnc2n1CCCCC2	MCULE-9658613400,ZINC22_45570741,EMOLS-id_35698454,PC-id_53505986	343.38	KRJZVWPOJUSKKZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071048
O=C(NCc1n2CCCCCc2nn1)c1c(OCC(=O)N)cccc1	PC-id_53502610	343.38	IVFWEVQNBOBFCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071049
O=C(NCc1n2CCCCCc2nn1)Nc1c(cccc1)C(=O)OC	PC-id_60435646	343.38	HNKOSZIZCJECDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071050
O=C(NCCc1n2CCCCCc2nn1)c1c([N+](=O)[O-])c(ccc1)C	PC-id_51307469	343.38	VXQJQMZAFSRVJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071051
O=C(NCCc1n2CCCCCc2nn1)Cc1c([N+](=O)[O-])cccc1	PC-id_51304501	343.38	SRIZPCZJJSZZJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071052
O=C(NCCc1nnc2n1CCCCC2)Nc1ccc2c(c1)OCO2	EMOLS-id_16771721,PC-id_17532242,ZINC22_12805941,MCULE-7859041450,CoCoCo_4574661	343.38	FBMULSPZPPLNPL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071053
O=C(NCCCc1nnc2n1CCCCC2)c1ccccc1[N+](=O)[O-]	PC-id_72045096,MCULE-1290913727,EMOLS-id_42961222,ZINC22_67176739	343.38	LNBMADYJHLIOII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071054
Cc1c(cc(cc1)n1nccn1)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478345	343.382	LKGVEZIZHDQMFZ-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-071055
Cc1ccc(cc1/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)n1nccn1	SCHEMBL13077362	343.382	LKGVEZIZHDQMFZ-OEAKJJBVSA-N	00000010100000110111100000000010000000000000000000000000	31-01-071056
c12CN(CCCn1nc(C#N)c2)C(=O)NCCc1noc(C(C)C)n1	ZINC22_584896715,MCULE-3865297849,EMOLS-id_177454679	343.384	BTCSQWXJQMSDFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071057
c12CN(CCCn1nc(CNC(=O)c1cnccn1)c2)C(=O)N(C)C	EMOLS-id_46034421,PC-id_72850470,MCULE-6827208686,ZINC22_91350723	343.384	ZQBVHSOVNVHIQB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071058
c12nnnn1CCCCC2C(=O)N1CCC(CC1)Oc1ncccn1	MCULE-3308539875,EMOLS-id_49672312,PC-id_74246490	343.384	BRCVORSPMMPCLO-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-071059
c1(C(=O)N)cn2c(CCN(CC2)C(=O)c2cc(C(C)C)nc(N)n2)n1	ZINC22_1875245026,MCULE-6647544492,EMOLS-id_331130903	343.384	GXXDAJIDGXYJKZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071060
Cc1cccc(NC(=O)CCNC(=O)[C@@H]2CCc3nnnn3CC2)n1	ZINC22_1615050799	343.384	KNQVJKYWPCBLBA-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071061
Cc1cccc(NC(=O)CCNC(=O)[C@H]2CCc3nnnn3CC2)n1	ZINC22_1615050800	343.384	KNQVJKYWPCBLBA-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071062
Cc1cnnn1Cc1nnc2CN(CCCn12)C(=O)[C@@H]1[C@H]2COC[C@@H]12	ZINC22_1565545997,EMOLS-id_313732307	343.384	QGHSYOMOKJGYOJ-JYAVWHMHSA-N	00100010100000000101010000000010000000000000000000000000	31-01-071063
CCC1CCc2n1nc(n2)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18366641	343.384	RHQJOZOFRRTECB-DTIOYNMSSA-N	00000010100000000101000010000010000000000000000000000000	31-01-071064
CC(c1nn2CCCN(Cc2c1)Cc1nc(=O)c2-c(n([nH]c2)C)n1)O	PC-id_91784078	343.384	PVKBVNXJAXNJKY-UHFFFAOYSA-N	00000010100010100101000001000010000000000000000000000000	31-01-071065
C[C@H](c1nn2CCCN(Cc2c1)Cc1nc2c(cnn2C)c(=O)[nH]1)O	PC-id_136743745	343.384	SQUBPHPJXZLVEY-SNVBAGLBSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071066
C[C@@H](c1nn2CCCN(Cc2c1)Cc1nc2c(cnn2C)c(=O)[nH]1)O	PC-id_136743746	343.384	SQUBPHPJXZLVEY-JTQLQIEISA-N	00000000100000100101000001000010000000000000000000000000	31-01-071067
CC(O)c1cc2CN(Cc3nc4n(C)ncc4c(=O)[nH]3)CCCn2n1	MCULE-3698755630,PC-id_136665292,EMOLS-id_55671587	343.384	SQUBPHPJXZLVEY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071068
CN1CCn2c(C1=O)nnc2CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_319536055	343.384	AIMGFCOJQCJZKJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071069
Cn1cnc(C(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)n1	ZINC22_1565545021,EMOLS-id_313770189	343.384	WWFDKCURBOTHJP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071070
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1nn2c(n1)CCC[C@H]2C	SCHEMBL19658302	343.384	AVMHLGHNHMCUAT-MNOVXSKESA-N	00000000100010000101000000010010000000000000000000000000	31-01-071071
O=c1n(c(N(Cc2n3CCCCCc3nn2)C)c(c(=O)n1C)C#N)C	PC-id_56812862	343.384	SZONCVCNCIDDMB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071072
O=C(C1CCCO1)N1CCCn2nnc(CNc3ncccn3)c2C1	EMOLS-id_44370552	343.384	DJAIRIUBPXRZNN-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-071073
O=C(c1cnccn1)N1CCc2n(CC1)c(nn2)CN1CCOCC1	PC-id_97519972	343.384	AYQSCUVGGWBLFB-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-071074
O=C([C@@H]1CCCCn2nnnc12)N1CCC(Oc2ncccn2)CC1	ZINC22_97732620,PC-id_97937406	343.384	BRCVORSPMMPCLO-CYBMUJFWSA-N	00000000100010100101000000000010000000000000000000000000	31-01-071075
O=C([C@H]1CCCCn2nnnc12)N1CCC(Oc2ncccn2)CC1	ZINC22_97732622,PC-id_97937407	343.384	BRCVORSPMMPCLO-ZDUSSCGKSA-N	00000000100010100101000000000010000000000000000000000000	31-01-071076
O=C([C@@H]1CCCO1)N1CCCn2nnc(CNc3ncccn3)c2C1	PC-id_97519584,ZINC22_96259501	343.384	DJAIRIUBPXRZNN-AWEZNQCLSA-N	00000010100000100101000000000010000000000000000000000000	31-01-071077
O=C([C@H]1CCCO1)N1CCCn2nnc(CNc3ncccn3)c2C1	PC-id_97519585,ZINC22_96259502	343.384	DJAIRIUBPXRZNN-CQSZACIVSA-N	00000010100000100101000000000010000000000000000000000000	31-01-071078
O=C(NC1CCCC1)c1nnc2CN(CCCn12)C(=O)c1cc[nH]n1	EMOLS-id_313786680,ZINC22_1565553280	343.384	RNDAHHXWZQIJBY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071079
O=C(Nc1cccc(n1)C)CCNC(=O)C1CCn2c(CC1)nnn2	MCULE-7748653132,EMOLS-id_316880563	343.384	KNQVJKYWPCBLBA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071080
c12ccsc1SCCN(Cc1cccc(c1)C(F)(F)F)C2=O	ZINC22_1402076,MCULE-8415407303,PC-id_1487601,EMOLS-id_27499867	343.387	QUUYNGMZUORYIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071081
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC1CCCCC1	PC-id_19523688	343.387	PMKRCJXGVCKKLX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071082
CCCOC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(cc1)F	SCHEMBL11196884,PC-id_20484261	343.392	SKAGYSHQKGSSJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071083
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(cc1)F)C	PC-id_20483682,SCHEMBL11198238	343.392	HQBKMULJOYFUSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071084
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)C1CC(F)(F)C1	ZINC22_1565555250,EMOLS-id_313794100	343.392	DAFOFIUGMBCEHS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-071085
Fc1ccc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2CCC)cc1	PC-id_20483806	343.392	PFVWWAKCSGRHNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071086
C1(c2ccc(cc2)F)(CC1)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	MCULE-8493469904,EMOLS-id_55685189,PC-id_91788779	343.395	WVYYPYLFKROYFA-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-071087
C1CC1CNC(=O)c1nc2c(o1)CCN(CC2)Cc1cc(ccc1)F	PC-id_134809295	343.395	URBQMIKBXGQEHL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-071088
c1(C(=O)N2CCN(CC2)c2ccccc2F)c2CCCCCc2on1	CoCoCo_2401401,EMOLS-id_16234807,PC-id_20923855,MCULE-1523522977	343.395	LIOPGLSXKJHYFK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-071089
c1(C(=O)N2CCN(CC2)c2ccc(cc2)F)c2CCCCCc2on1	STOCK6S-76528,MCULE-6844100591,PC-id_22427616,EMOLS-id_15972016,ZINC22_2465824	343.395	PPNRVIXXOVKJCW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-071090
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1ccc(F)cc1C	EMOLS-id_313808687	343.395	VCXFWHUDMLOFCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071091
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)Cc1ccccc1F	EMOLS-id_313808943	343.395	NMQPLVSXGGTKSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071092
CNC(=O)C[C@@H]1CN(C(=O)c2ccc(F)cc2C)Cc2cccn2C1	ZINC22_585099205	343.395	VCXFWHUDMLOFCE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071093
CNC(=O)C[C@H]1CN(C(=O)c2ccc(F)cc2C)Cc2cccn2C1	ZINC22_585099206	343.395	VCXFWHUDMLOFCE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071094
CNC(=O)C[C@@H]1CN(C(=O)Cc2ccccc2F)Cc2cccn2C1	ZINC22_585099121	343.395	NMQPLVSXGGTKSD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071095
CNC(=O)C[C@H]1CN(C(=O)Cc2ccccc2F)Cc2cccn2C1	ZINC22_585099122	343.395	NMQPLVSXGGTKSD-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071096
FC1CC(C1)C(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_55752103	343.395	PQPRAODJBPPITC-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-071097
Fc1ccc(cc1)C1(CC1)C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99986941	343.395	WVYYPYLFKROYFA-CYBMUJFWSA-N	00100000100000110101100000000010000000000000000000000000	31-01-071098
Fc1ccc(cc1)C1(CC1)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99986945	343.395	WVYYPYLFKROYFA-ZDUSSCGKSA-N	00100000100000110101100000000010000000000000000000000000	31-01-071099
Fc1ccc(cc1)C=C1CN(CCc2c1cn[nH]2)C(=O)OC(C)(C)C	PC-id_143550064	343.395	KYFBBUYUVXALGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071100
Fc1cccc(c1)[C@@H]1CN(C[C@H]1N)C(=O)c1noc2c1CCCCC2	EMOLS-id_102100349	343.395	HCQQZMWTGHQLEO-JKSUJKDBSA-N	00000010100000110101100000000010000000000000000000000000	31-01-071101
N[C@@H]1CN(C[C@H]1c1ccccc1F)C(=O)c1noc2c1CCCCC2	EMOLS-id_102123163	343.395	NKKGXXVVIANRRA-GOEBONIOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-071102
O=C1N(CCCn2c1cc(n2)OCc1ccccc1)CC1CC1(C)F	SCHEMBL16270109,PC-id_117721946	343.395	QWESPBDKLTZSSZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-071103
O=C(C1CC(F)C1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_575406462	343.395	PQPRAODJBPPITC-JMLCCBQJSA-N	00001000100000101101000000000010000000000000000000000000	31-01-071104
O=C(C1CC(F)C1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_575406587	343.395	PQPRAODJBPPITC-JTTJXQCZSA-N	00001000100000101101000000000010000000000000000000000000	31-01-071105
COC(=O)CCC(=O)N1CCc2snnc2[C@@H]([C@H](C1)OC)OC	SCHEMBL13922873,PC-id_71027559	343.399	BSWNEYITVJSIAT-LKFCYVNXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071106
Fc1cc(C2(NC(=O)NCc3n4CCCCCc4nn3)CC2)ccc1	PC-id_72004764	343.399	USPVSLHBISTQNA-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-071107
Fc1ccccc1C1(CCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164569	343.399	MTVHNYMWLNSQQQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-071108
Fc1cccc(c1)C1(CCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166363	343.399	LQWNIDXRDNZZSZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-071109
Fc1ccc(cc1)C1(CCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166399	343.399	NLOWKXWCSWAXKA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-071110
Fc1ccc(cc1)C1(CNC(=O)N2CCCn3c(C2)cc(n3)N)CC1	EMOLS-id_319495058	343.399	QNXAOBVVSIEICW-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-071111
Fc1ccc(cc1)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319232500	343.399	OGJRIVRXSUYNAI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-071112
Fc1cnccc1C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	ZINC22_96259300,PC-id_97519384,EMOLS-id_44370144	343.399	OMIYBLMSLHQNFO-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-071113
O=C(NC1CC1c1cccc(c1)F)NCc1nnc2n1CCCCC2	MCULE-6047316246,EMOLS-id_316803381	343.399	STFFBHJFCUTUDA-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-071114
O=C(NCc1nnc2n1CCCCC2)N[C@@H]1C[C@H]1c1cccc(F)c1	ZINC22_194813158	343.399	STFFBHJFCUTUDA-LSDHHAIUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-071115
O=C(NCc1nnc2n1CCCCC2)N[C@H]1C[C@H]1c1cccc(F)c1	ZINC22_195293831	343.399	STFFBHJFCUTUDA-GJZGRUSLSA-N	00100000100000110101100000000010000000000000000000000000	31-01-071116
O=C(NCc1nnc2n1CCCCC2)N[C@H]1C[C@@H]1c1cccc(F)c1	ZINC22_195293842	343.399	STFFBHJFCUTUDA-CABCVRRESA-N	00100000100000110101100000000010000000000000000000000000	31-01-071117
O=C(NCc1nnc2n1CCCCC2)N[C@@H]1C[C@@H]1c1cccc(F)c1	ZINC22_195293853	343.399	STFFBHJFCUTUDA-HUUCEWRRSA-N	00100000100000110101100000000010000000000000000000000000	31-01-071118
s1nnc2C(OC)C(OC)CN(CCc12)C(=O)CCC(=O)OC	PC-id_77862449	343.399	BSWNEYITVJSIAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071119
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CCC(=O)c1ccccc1	PC-id_90625259	343.4	SPNZUBXWAPNXDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071120
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCCCC2)n1	MCULE-8850746566	343.4	OHRJZZKHGICCHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071121
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCCCC2)n1	PC-id_85453910,MCULE-4464879814	343.4	TVDCVEXGJJGNGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071122
CC/C=C(/C1=Nc2sc(c(c2CC(=O)N1)C)C#N)C=C
/COCO1	PC-id_142925438	343.4	ADOPAPZZJATILY-JLYPQOKGSA-N	00000010100000000111000000000010000000000000000000000000	31-01-071123
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)C	PC-id_58256687,SCHEMBL1770594	343.4	YNFRCUXXKXGEJM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071124
[O-][N+](=O)c1cccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)c1	EMOLS-id_334602358,PC-id_26157943	343.4	TVDCVEXGJJGNGR-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071125
[O-][N+](=O)c1ccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)cc1	EMOLS-id_334604666	343.4	OHRJZZKHGICCHL-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071126
s1c2CCCCCc2cc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1	PC-id_78620812	343.4	YUTAYKNRQXZNIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071127
s1c2CCCCCc2cc1C(=O)NN=Cc1cc([N+](=O)[O-])ccc1	PC-id_78620811	343.4	OZMZTSZUNAKDAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071128
s1c2CCCCCc2cc1C(=O)NN=Cc1c([N+](=O)[O-])cccc1	PC-id_78620820	343.4	PLALELIVHAEJLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071129
Cc1cc(O)n2c(n1)c(cn2)C(=O)Nc1nc2c(s1)CCCCC2	MCULE-5389817102,EMOLS-id_320315794	343.403	MEHUENXUHWTLGK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071130
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(o1)Cn1nncc1	EMOLS-id_319282340	343.403	ZCBAWWYLZWYIGI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-071131
Cc1nc2c(s1)N(CCCC2)C(=O)c1noc(c1)Cn1cccn1	MCULE-1010847359,EMOLS-id_319829737	343.403	QTAQMEUYAKEQFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071132
Cc1sc2c(n1)CCCCN2C(=O)c1cnn2c1nc(C)cc2O	EMOLS-id_319235129	343.403	AYXJSNDOKORQBF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071133
COc1cc2[nH]nnc2cc1C(=O)N1CCCCc2c1sc(n2)C	MCULE-4592718823,EMOLS-id_319977122	343.403	JTWIFDZDDNPCSM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071134
O=c1[nH]c2c([nH]1)ncc(c2)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99475720	343.403	RAJYFUKZCSWFFC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071135
O=C(c1ccc2n(c1)c(=O)[nH]n2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_97909310	343.403	KRBPJSXJQXTQLS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071136
O=C(c1ccn2c(c1)n[nH]c2=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_319379885	343.403	PVHNYTJGBYJMQK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071137
O=C(N1CCCc2c(C1)cnn2C)Nc1noc(c1)c1cccs1	MCULE-7646043908,EMOLS-id_320054245	343.403	XTOKPANRCZSXRS-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-071138
O=C(N1CCCn2c(C1)cnn2)CCn1sc2c(c1=O)cccc2	EMOLS-id_319163186	343.403	MIQAVDSSGOLGRT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071139
O=C(NCc1nnc2n1CCCCC2)c1ccc2[nH]c(=S)oc2c1	EMOLS-id_36719326,PC-id_53621616,ZINC22_69972053,MCULE-3120063083	343.403	HDZHKNGRFXFGQJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071140
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc2c1cccc2	PC-id_36422925	343.403	YQGQAVTXAXOELA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071141
c12nnnn1CCCCC2C(=O)N(C)Cc1ccc2c(nsn2)c1	EMOLS-id_49676082,PC-id_74248329,MCULE-3118527730	343.407	HGLVZXVBVVXFJN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071142
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cn1nnnc1c1cscc1	EMOLS-id_319157753	343.407	QURDAFKNMNOVLL-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-071143
O=C(NOC(=O)N(C)C)Cc1ccc2-c(c(c(c2CC)N)CC)cc1	PC-id_57173929	343.42	AZJVXWNDSXKIQN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071247
Cc1nc(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)cs1	ZINC22_1565545562	343.407	IVZLHFBTBPVOLU-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071144
Cc1nc(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)cs1	ZINC22_1614927983	343.407	IVZLHFBTBPVOLU-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071145
Cc1nc(C(=O)N2CCCn3c(nnc3Cn3ccnc3)C2)cs1	EMOLS-id_313730261,ZINC22_1565556438	343.407	IABGBWWZJSYXNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071146
Cc1nc(cs1)C(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_313723100	343.407	IVZLHFBTBPVOLU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071147
CN(Cc1ccc2nsnc2c1)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_97766434,PC-id_97939310	343.407	HGLVZXVBVVXFJN-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071148
CN(Cc1ccc2nsnc2c1)C(=O)[C@H]1CCCCn2nnnc12	ZINC22_97766436,PC-id_97939311	343.407	HGLVZXVBVVXFJN-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-071149
Oc1ccc(n2nnnc2SCc2nnc3n2CCCCC3)cc1	MCULE-4009844225,EMOLS-id_316325035,ZINC22_368496212	343.407	ZQMRXJAGUSWIMW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-071150
O=C(Nc1ccc2c(c1)sc(n2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102027412	343.407	DWYCSGMZSLKQJX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071151
CC(OC(=O)CC1CCCCc2c(C1(F)F)nnn2C(C)(C)C)C	SCHEMBL19737760	343.412	QUPNWGIHFKQBFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071152
CCCCCc1cc(c2-c1ccc(cc2)CC(=O)NO)C(=O)OCC	PC-id_141580574	343.417	WQDPJHXBGPRZCY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071153
CCCCCCc1cc(c2-c1cc(ccc2)C(=O)NO)C(=O)OCC	PC-id_141580517	343.417	UAUXXJRGYZMLFF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071154
CCOC(=O)c1cc(c2-c1ccc(cc2)CC(=O)NO)CCC(C)C	PC-id_141580522	343.417	LDEJMOJKHBLMGB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071155
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1ccc(o1)C)C)C	PC-id_20484009,SCHEMBL11198540	343.417	APZCDJCTVOIOEI-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-071156
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1occc1C)C)C	PC-id_20484225,SCHEMBL11206705	343.417	DQZPWRLVTKGWIP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-071157
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1occ(c1)C)C)C	SCHEMBL11201338,PC-id_20483991	343.417	HUNLGGJIOFZFHW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-071158
O(c1c2-c(c(CCCCCC)c1)cc(ccc2)C(=O)NOCC)C=O	PC-id_57319389	343.417	SSOOLLRWCGTZAT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071159
O(c1c(c(CCCCC)c2-c1ccc(cc2)C(=O)NOCC)C)C=O	PC-id_56976169	343.417	ZQIFKAJBMPFOND-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071160
O(c1c(c(CCC(C)C)c2-c1ccc(cc2)C(=O)NOCC)C)C=O	PC-id_57101355	343.417	PYTCNKMCSHBWDG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071161
c1(NC(=O)Cn2ccc3ccc(F)cc23)sc2c(CCCCC2)n1	MCULE-5062586987,EMOLS-id_323318866	343.418	DTZHQGWSYPNRJH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-071162
Fc1ccc2c(c1)c(c[nH]2)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318853622	343.418	WXXTVKWWTJYWQQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-071163
Fc1ccc2c(c1)[nH]cc2CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319971420,MCULE-8374189371	343.418	MAKUQAAEPHGLHZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-071164
N#Cc1c(NC(=O)CNc2cccc(F)c2)sc2c1CCCCC2	MCULE-4011297104,ZINC22_12746892,EMOLS-id_16742146,CoCoCo_3686315,PC-id_25479112	343.418	GIYVIOCFHGLMGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071165
N#Cc1c(NC(=O)CNc2ccc(F)cc2)sc2c1CCCCC2	EMOLS-id_16657935,CoCoCo_3686260,MCULE-1616882936,PC-id_25609159,ZINC22_12925043	343.418	IPLSXHNWKHOIPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071166
O(c1cc2-c(c1)ccc(cc2)C#N)C(=O)c1ccc(CCCCC)cc1	PC-id_85630655	343.418	VFVDBZYXHPEEIP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-071167
c12CCN(CCc1[nH][nH]c2=O)C(=O)c1ccc(cc1)CCC(C)(C)O	PC-id_70725277,ZINC22_72418326,EMOLS-id_43091977,MCULE-5482474811	343.42	HIONICGXFAUDTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071168
c12CN(CCCc1n(nc2)C)C(=O)COc1ccc(cc1OCC)C	EMOLS-id_429986,ZINC22_19532252,PC-id_92593475,MCULE-9859403491,AOP-19588791	343.42	HMENCXLCIQJLIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071169
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccccc1OCC	MCULE-2198614567,EMOLS-id_43147598,PC-id_56905971,ZINC22_72457550	343.42	OOCGAEXPKIRLNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071170
c12CN(CCCn1nc(CCC(=O)O)c2)CC[C@@H](O)c1ccccc1	ZINC22_72419466,EMOLS-id_43065286,MCULE-7939672670,PC-id_56884077	343.42	CDILLRDYSYCCDC-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071171
c12CN(CCCn1nc(CO)c2)C(=O)CCCOCc1ccccc1	EMOLS-id_55674877,MCULE-8130065731,PC-id_91785187	343.42	DKPNPMRPOHEIEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071172
c12C(=O)NCCCc1[nH]c(CCc1ccc(c(OCC)c1)OCC)n2	PC-id_50948236,EMOLS-id_32368086,ZINC22_65369766,MCULE-8723805245	343.42	YEKDLYBYHFMGFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071173
c1(C(=O)Nc2ccc(c(OCC)c2)OCC)c2CCCCCc2[nH]n1	EMOLS-id_335079129,MCULE-5448448196	343.42	TUHIZKSFFRMCLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071174
c1(C(=O)NCCc2ccc(c(OC)c2)OC)c2CCCCCc2n[nH]1	STOCK7S-45440,EMOLS-id_49245425,ZINC22_96223125,EMOLS-id_50403033,MCULE-3338272143,PC-id_75488758	343.42	KGPMBLPYPQLFDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071175
Cc1c(C2CCCCC2)noc1NC(=O)c1noc2c1CCCCC2	EMOLS-id_112006301,PC-id_136547408,MCULE-9093721783,ZINC22_297675243	343.42	GQJIQVYZSIJCHV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071176
Cc1ccc(c(c1)C)OCC(c1nc2c([nH]1)CC(CNC2=O)(C)C)O	MCULE-8890456493,PC-id_50974864,EMOLS-id_232802259	343.42	RKCPBDMXBRCTOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071177
Cc1c(c(ccc1)OC(C)c1nnc2n1CCC(CC2)C(=O)OC)C	MCULE-6766582321,PC-id_136557161,EMOLS-id_316954176	343.42	ZQRTXMANWRPFSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071178
Cc1cc(C(=O)N2Cc3ccnn3CCC2COCC2CC2)c(C)o1	EMOLS-id_313819683	343.42	FIXPNDHCOXJDAR-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-071179
Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2COCC2CC2)c(C)o1	ZINC22_585096902	343.42	FIXPNDHCOXJDAR-KRWDZBQOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-071180
Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2COCC2CC2)c(C)o1	ZINC22_585096906	343.42	FIXPNDHCOXJDAR-QGZVFWFLSA-N	00100000101000000101000000000010000000000000000000000000	31-01-071181
Cc1cc(C(=O)N2Cc3cncn3CCC2COCC2CC2)c(C)o1	EMOLS-id_313818405	343.42	ZPTWMENKSGXXJA-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-071182
Cc1cc(C(=O)N2Cc3cncn3CC[C@H]2COCC2CC2)c(C)o1	ZINC22_585098609	343.42	ZPTWMENKSGXXJA-INIZCTEOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-071183
Cc1cc(C(=O)N2Cc3cncn3CC[C@@H]2COCC2CC2)c(C)o1	ZINC22_585098610	343.42	ZPTWMENKSGXXJA-MRXNPFEDSA-N	00100000101000000101000000000010000000000000000000000000	31-01-071184
CC(c1coc(n1)[C@@H]1CCCN1C(=O)c1noc2c1CCCCC2)C	EMOLS-id_319936325,MCULE-5267611229	343.42	WDUVVHGLRZVEAN-HNNXBMFYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-071185
CCCC1N(CCCn2ccnc12)C(=O)c1cccc(OC)c1OC	MCULE-4212507149,EMOLS-id_55717294	343.42	UXPRPPQECHMZGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071186
CCCOc1cc(OC)ccc1C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319795070	343.42	AFMXUADYDSVABC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071187
CC(COC)N1CCCC(=O)c2c1n(nc2)Cc1ccc(cc1)OC	PC-id_89705489,SCHEMBL15130292	343.42	RRQOWPHXWVVDMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071188
C[C@@H]1O[C@H](C)Cc2c(C(=O)N3Cc4ccoc4CC(C)(C)C3)n[nH]c12	EMOLS-id_323970775,MCULE-9740706087,ZINC22_1875396373,PC-id_146111547	343.42	DKDXMPJMFUIKQB-NEPJUHHUSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071189
CCOc1cc(ccc1OCC)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319523481	343.42	KCIXTQWZVPELNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071190
CCOc1ccccc1OCCn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_316445552,MCULE-3201440386	343.42	CTIQCMOCZZULPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071191
CCOc1ccc(CCC(=O)N2Cc3ccnn3C[C@H](OC)C2)cc1	ZINC22_247889988	343.42	SWPAUVIVMAYABC-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071192
CCOc1ccc(CCC(=O)N2Cc3ccnn3C[C@@H](OC)C2)cc1	ZINC22_247889992	343.42	SWPAUVIVMAYABC-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071193
CCOc1ccc(CCC(=O)N2CC(Cn3nccc3C2)OC)cc1	EMOLS-id_50010242	343.42	SWPAUVIVMAYABC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071194
CC(OCc1ncn2c1CN(CCC2)C(=O)COc1ccccc1)C	PC-id_97405862	343.42	LYZWSHKLAFXSQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071195
CCOCC(=O)N1Cc2cccn2C[C@@H](OCc2cccc(C)n2)C1	ZINC22_575403877	343.42	IFWFMNUDJBPDIE-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071196
CCOCC(=O)N1Cc2cccn2C[C@H](OCc2cccc(C)n2)C1	ZINC22_575403879	343.42	IFWFMNUDJBPDIE-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071197
CCOCC(=O)N1CC(Cn2cccc2C1)OCc1cccc(C)n1	EMOLS-id_55751325	343.42	IFWFMNUDJBPDIE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071198
CCOC(=O)c1ccc(cc1)COC1CCCCCc2c1nnn2C	SCHEMBL16984322,PC-id_118287968	343.42	CUQSZZIPXUQANR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071199
CN(Cc1n[nH]c2c1CCCCC2)[C@H](C(=O)O)c1ccc(CO)cc1	ZINC22_95506991,PC-id_97273962	343.42	LPVNERBZWPJJQU-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071200
CN(Cc1n[nH]c2c1CCCCC2)[C@@H](C(=O)O)c1ccc(CO)cc1	ZINC22_95506992,PC-id_97273963	343.42	LPVNERBZWPJJQU-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071201
COc1ccc(cc1)C(N(C(=O)c1cnc2n1CCCCC2)C)CO	EMOLS-id_318289513	343.42	QZHLJVMQPULYRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071202
COc1ccc(cc1)C(N(C(=O)c1n[nH]c2c1CCCCC2)C)CO	EMOLS-id_73042975,MCULE-3236361726,PC-id_121533895	343.42	BJXAPSIKPBSJDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071203
COc1cccc(c1)COC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319475696	343.42	HJITYQSRROILAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071204
COc1ccc(cc1)C(=O)N1CCCn2cnc(COC(C)C)c2C1	PC-id_97520012,EMOLS-id_44371400,ZINC22_96259932	343.42	KNNPMXFTHYHCCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071205
COc1cc(ccc1NC(=O)c1noc2c1CCCCC2)CN(C)C	EMOLS-id_319945273,MCULE-2924869043	343.42	MLIXEGOBKNUBQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071206
COc1ccc(c(c1)OC(C)C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318130322	343.42	BABLWEDEWXUESX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071207
COc1cc(ccc1OC(C)C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319169514	343.42	BNOXLKPZAUSFPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071208
COc1ccc(c(c1)OC(C)C)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320322945,MCULE-1776524888	343.42	LKDHNKMRGHDFMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071209
COc1ccc(cc1)OCCCn1nc2c(c1)C(=O)NCC(C2)(C)C	MCULE-7290664021,EMOLS-id_316460066	343.42	BQRXXJXORZPECN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071210
COc1ccc(cc1OC)C(C)NC(=O)c1n[nH]c2CCCCCc12	MCULE-9662552905,EMOLS-id_335024367	343.42	UCFQGDBEJZKHOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071211
COc1ccc(cc1)OC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)(C)C	EMOLS-id_319399373	343.42	MVBAKJPFRMKTLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071212
COc1cc(ccc1OC)C(=O)N1CCCn2c(C1C(C)C)ncc2	EMOLS-id_96485590,MCULE-9849229745	343.42	DNFFWUNTJYGGSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071213
COc1cc(CCC(=O)N2CC(C)Cc3c(C2)cn[nH]3)ccc1OC	EMOLS-id_319056231	343.42	WHTFNHPLACAAQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071214
COc1cc(CCC(=O)N2CC(C)Cc3c(C2)cn[nH]3)cc(c1)OC	EMOLS-id_320152954,MCULE-6693705763	343.42	SQFZCZISFHTGAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071215
COc1cccc(C(=O)N2CCCn3ccnc3C2C(C)C)c1OC	EMOLS-id_55717380,MCULE-4932741490	343.42	DTKAWVVYZREEDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071216
COc1ccc([C@H](CO)N(C)C(=O)c2n[nH]c3c2CCCCC3)cc1	ZINC22_190992034	343.42	BJXAPSIKPBSJDP-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071217
COc1ccc([C@@H](CO)N(C)C(=O)c2n[nH]c3c2CCCCC3)cc1	ZINC22_190992051	343.42	BJXAPSIKPBSJDP-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071218
COc1cc(OC)ccc1C(=O)N1CCCn2c(C1C(C)C)ncc2	MCULE-2383471942,EMOLS-id_55717394	343.42	LAYZVOVFGFUAKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071219
COC(c1ccccc1)(CNC(=O)c1cnc2n1CCCCC2)OC	EMOLS-id_319255534	343.42	GHRGSKCUYHRCII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071220
COC(c1ccccc1)(CNC(=O)c1n[nH]c2c1CCCCC2)OC	EMOLS-id_279017737	343.42	YHCCPSSWVPVEBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071221
COCCCN1CCCC(=O)c2c1nn(c2)Cc1ccc(cc1)OC	SCHEMBL366322,PC-id_66667563	343.42	GCVAPSTVXZDVQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071222
COC[C@@H](N1CCCC(=O)c2c1n(nc2)Cc1ccc(cc1)OC)C	SCHEMBL15130291	343.42	RRQOWPHXWVVDMF-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071223
COC(=O)[C@H]1CCc2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC1	ZINC22_601045641	343.42	ZQRTXMANWRPFSL-CABCVRRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-071224
COC(=O)[C@H]1CCc2nnc([C@H](C)Oc3cccc(C)c3C)n2CC1	ZINC22_601045643	343.42	ZQRTXMANWRPFSL-GJZGRUSLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071225
COC(=O)[C@@H]1CCc2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC1	ZINC22_601045645	343.42	ZQRTXMANWRPFSL-HUUCEWRRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071226
COC(=O)[C@@H]1CCc2nnc([C@H](C)Oc3cccc(C)c3C)n2CC1	ZINC22_601045646	343.42	ZQRTXMANWRPFSL-LSDHHAIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071227
COC(=O)C(Oc1ccccc1CN1CCCc2c(C1)cnn2C)C	EMOLS-id_258214585,MCULE-4061248860	343.42	QVEADKQFNVKPRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071228
N#Cc1[nH]c2c(c1)C(C)(C)CN(CC2C(=O)O)C(=O)C1CCCCC1	PC-id_68927779,SCHEMBL4138503	343.42	GOGOZXAELWHIHS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-071229
O=C(c1ccc2n1CCN(C(=O)[C@@H]1[C@H]3COC[C@@H]13)CC2)N1CCCC1	EMOLS-id_313773262,ZINC22_1565547406	343.42	PHKMRSWUXOKXLI-QLPKVWCKSA-N	00100010100000000101010000000010000000000000000000000000	31-01-071230
OCc1ccc(cc1)C(N(Cc1n[nH]c2c1CCCCC2)C)C(=O)O	PC-id_72870022,MCULE-7892391514,EMOLS-id_48631318	343.42	LPVNERBZWPJJQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071231
O=C(c1coc2c1C(O)CCC2)N1Cc2cnn(c2CC(C1)(C)C)C	MCULE-3825669162,EMOLS-id_320084546	343.42	LPZRUILNQORODF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071232
OC(CCN1CCCn2nc(cc2C1)CCC(=O)O)c1ccccc1	PC-id_76423290	343.42	CDILLRDYSYCCDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071233
OCCN(C(=O)c1cnc2n1CCCCC2)Cc1ccc(cc1)OC	EMOLS-id_319638987	343.42	GBIOFILNJNVRMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071234
OCCN(C(=O)c1n[nH]c2c1CCCCC2)Cc1ccc(cc1)OC	MCULE-5615771231,EMOLS-id_320307356	343.42	BBYHSHKXCUJUBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071235
OCC(NC(=O)c1n[nH]c2c1CCCCC2)CC(c1ccccc1)O	PC-id_121533893,MCULE-2431792096,EMOLS-id_73030691	343.42	AHJRSSVMWURBGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071236
O=C(COC1CN(Cc2ccco2)Cc2cccn2C1)N1CCCC1	EMOLS-id_50014168	343.42	OMNGAAFGQRZBCP-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-071237
O=C(CO[C@@H]1CN(Cc2ccco2)Cc2cccn2C1)N1CCCC1	ZINC22_247741241	343.42	OMNGAAFGQRZBCP-GOSISDBHSA-N	00000010101000000101000000000010000000000000000000000000	31-01-071238
O=C(CO[C@H]1CN(Cc2ccco2)Cc2cccn2C1)N1CCCC1	ZINC22_247741246	343.42	OMNGAAFGQRZBCP-SFHVURJKSA-N	00000010101000000101000000000010000000000000000000000000	31-01-071239
O=C(N1CCc2c(CC1)c(=O)[nH]n2Cc1ccccc1)OC(C)(C)C	SCHEMBL2076077,PC-id_67269492	343.42	NGQADIDOUAVVEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071240
O=C(N1CCc2c(CC1)[nH]nc2OCc1ccccc1)OC(C)(C)C	PC-id_67269443,SCHEMBL2075858	343.42	DRHLHOWXHIXEIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071241
O=C(NCC1CC1)c1ccc2CCN(CCn12)C(=O)[C@@H]1[C@H]2COC[C@@H]12	ZINC22_1565544104,EMOLS-id_313774784	343.42	JNOONWQJHLJEPT-QLPKVWCKSA-N	00100010100000000101010000000010000000000000000000000000	31-01-071242
O=C(N[C@@H](CO)C[C@H](O)c1ccccc1)c1n[nH]c2c1CCCCC2	ZINC22_239367091	343.42	AHJRSSVMWURBGQ-PBHICJAKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071243
O=C(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1n[nH]c2c1CCCCC2	ZINC22_239367092	343.42	AHJRSSVMWURBGQ-RHSMWYFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071244
O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)c1n[nH]c2c1CCCCC2	ZINC22_239367093	343.42	AHJRSSVMWURBGQ-WMLDXEAASA-N	00000000100000110101000000000010000000000000000000000000	31-01-071245
O=C(N[C@H](CO)C[C@H](O)c1ccccc1)c1n[nH]c2c1CCCCC2	ZINC22_239367094	343.42	AHJRSSVMWURBGQ-YOEHRIQHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071246
s1c2c(CCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C#N	PC-id_74682733	343.42	FUDLCZYASOUKOC-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-071248
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C#N	PC-id_40435980	343.42	FUDLCZYASOUKOC-CHWSQXEVSA-M	00000000100011000100000000000010000000000000000000000000	31-01-071249
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C#N	PC-id_40435982	343.42	FUDLCZYASOUKOC-STQMWFEESA-M	00000000100011000100000000000010000000000000000000000000	31-01-071250
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C#N	PC-id_40551142	343.42	FUDLCZYASOUKOC-OLZOCXBDSA-M	00000000100011000100000000000010000000000000000000000000	31-01-071251
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C#N	PC-id_40551144	343.42	FUDLCZYASOUKOC-QWHCGFSZSA-M	00000000100011000100000000000010000000000000000000000000	31-01-071252
N#CC1=Cc2cc([nH]c2CC=C1)C(=O)NC1(CCCC1)c1ccccc1	PC-id_144935701	343.422	PKRXNJSLHRKKOI-UHFFFAOYSA-N	00000010100000110110100000000010000000000000000000000000	31-01-071253
O=C1NC(=O)C(N1)CCS(=O)(=O)N1CCCc2c(C1)ccs2	MCULE-2014268887,EMOLS-id_319916519	343.422	WTAJJHRQFIKMPG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071254
c12CN(CCCn1nc(CCC(=O)NCCO)c2)Cc1ccccn1	PC-id_72922345,MCULE-4820173611,EMOLS-id_46086433,ZINC22_91934403	343.423	JYCRPXZUHJOILH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071255
c12CN(CCCn1nc(CCC(=O)NCCO)c2)Cc1cccnc1	ZINC22_91493476,MCULE-5676308577,EMOLS-id_46045165,PC-id_72865483	343.423	AEABOOXQBUWKJH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071256
c12CN(CCCn1nc(CCC(=O)NCCO)c2)Cc1ccncc1	MCULE-6897085863,ZINC22_91965245,PC-id_72925628,EMOLS-id_46088845	343.423	VCXGZOUXNNWLBR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071257
c12C(N(N(C=Nc1ncn2Cc1ccc(cc1)OC)C)C)OC(C)C	CHEMBL429009,PC-id_11313908,BindingDB_PC-id_11313908	343.423	PKNKCBOJTVRSOH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-071258
c12C(=O)NCCCc1nc(NC(=O)c1cc3ccccc3s1)s2	EMOLS-id_50139269,PC-id_72720029,ZINC22_211131389,MCULE-6234506075	343.423	ZUVDGYOKGULJON-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071259
c12nnnn1CCCCC2C(=O)N(C)CCOc1ccc(cc1)CC	EMOLS-id_32228340,PC-id_50975886,MCULE-2721638807	343.423	RQTQCZNGIWFPHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071260
c1(cc2n(CCCN(C)C2)n1)C(=O)N1CCCC1c1c(C)noc1C	MCULE-9073003908,EMOLS-id_32421670,PC-id_50976442	343.423	OQSKXAVEKGMXQH-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-071261
c1(C(CC(C)C)NC(=O)c2cccc(O)c2)nnc2CCNCCn12	MCULE-6793920161,EMOLS-id_36429556,PC-id_56705071	343.423	UQFXGOIUTACFKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071262
c1(C(C(C)C)NC(=O)c2ccc(cc2)OC)nnc2CCNCCn12	PC-id_118759046,EMOLS-id_68875374,MCULE-9607797743	343.423	GXSGNSCPLSHMDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071263
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(CCO)CCn12	EMOLS-id_232707207,MCULE-2701552279,PC-id_45174981	343.423	PBXLFMDTOBRQPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071264
c1(C(C)NC(=O)c2ccco2)nnc2CCN(C/C=C(C)/C)CCn12	EMOLS-id_20617339,PC-id_45220661,MCULE-1282343790	343.423	FIINPPJPMOVNJM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-071265
c1(CC(=O)N(C)Cc2c3CCCCCc3[nH]n2)c(C)nc([nH]c1=O)C	ZINC22_216129982,MCULE-1471169536,EMOLS-id_49891815,PC-id_136282753	343.423	FRNOTUCTFSXXRM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071266
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(cccc1)C	PC-id_7352094	343.44	UQFISOLSXHUGHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071566
c1(c[nH]nc1C1CCCCC1)C(=O)N1CCCn2nc(CO)cc2C1	PC-id_91790730,MCULE-5128171442,EMOLS-id_55691013	343.423	NMLNIZBJENCQPY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071267
c1(C(=O)NCc2c(C)cc(nc2OC)C)cc2n(CCCN(C)C2)n1	ZINC22_65434654,PC-id_50971649,MCULE-5987299474,EMOLS-id_32412618	343.423	CIZWWRHNUMZKMQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071268
Cc1cc(C2OCCO2)c(cc1CNC1CCn2c(CC1)nnn2)C	EMOLS-id_319246286	343.423	FJHPASXJNYRTPP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-071269
Cc1ccc(cc1)CCNC(=O)Cn1c(=O)n2CCC(CCc2n1)N	PC-id_91910888	343.423	ZFGQKTCHVJTTTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071270
Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(CCO)CC2	ZINC22_11975153,CoCoCo_1158452,CoCoCo_1158451	343.423	PBXLFMDTOBRQPU-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071271
Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(CCO)CC2	ZINC22_11975159,CoCoCo_1158454,CoCoCo_1158453	343.423	PBXLFMDTOBRQPU-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071272
Cc1ccc([C@@H](O)CNC(=O)NCc2nnc3n2CCCCC3)cc1	PC-id_94176346,ZINC22_48272876	343.423	RVJFCBLCCQIODN-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071273
Cc1ccc([C@H](O)CNC(=O)NCc2nnc3n2CCCCC3)cc1	ZINC22_48272873,PC-id_94176345	343.423	RVJFCBLCCQIODN-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071274
Cc1ccc(CN(C(=O)NCc2nnc3n2CCCCC3)C2CC2)o1	MCULE-2977165529,EMOLS-id_31998154,PC-id_45830191,ZINC22_43779802	343.423	AXYKYVKYYYSLDL-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-071275
Cc1cccc(OCCNC(=O)NCc2nnc3n2CCCCC3)c1	PC-id_51077499,MCULE-3759004436,ZINC22_45570160,EMOLS-id_31894488	343.423	YAIHFPMAQMPWAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071276
Cc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)o1	CoCoCo_4526277,ZINC22_40485519,PC-id_45803272,EMOLS-id_31869480,MCULE-7725123899	343.423	LNAHUWVUQDYLAM-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-071277
Cc1ccc(OC[C@@H]2CCn3nccc3CN2CC(=O)N(C)C)cn1	ZINC22_585097845	343.423	RUWKLVOZGJVDGO-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071278
Cc1ccc(OC[C@H]2CCn3nccc3CN2CC(=O)N(C)C)cn1	ZINC22_585097846	343.423	RUWKLVOZGJVDGO-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071279
Cc1ccc(OCCNC(=O)NCc2nnc3n2CCCCC3)cc1	EMOLS-id_31894484,ZINC22_45570074,PC-id_51077498,MCULE-4660541545	343.423	ZQZPTLMVAWAZQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071280
Cc1cc(C(=O)N2CCc3ncc(CN4CCCCC4)n3CC2)no1	PC-id_97390207,EMOLS-id_46161839,ZINC22_96067901	343.423	YLQWVGQZAFFBBR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071281
Cc1ccoc1C(=O)N1CCCn2c(CN3CCCCC3)nnc2C1	ZINC22_96084787,PC-id_97405610,EMOLS-id_46182603	343.423	JYYINDJNRABRLA-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-071282
Cc1ccoc1C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	PC-id_97405552,ZINC22_96084729	343.423	VOFMUGQCAZEXGK-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-071283
Cc1ccoc1C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_30177532,ZINC22_22283488,MCULE-1107032447,EMOLS-id_31867914	343.423	FWXSORYSYAZJAX-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-071284
Cc1c(c(=O)[nH]c(n1)C(C)(C)C)C(=O)N1CCCc2c(C1)cnn2C	PC-id_137211701,EMOLS-id_101846365	343.423	YWMDTTFNPHBPFB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071285
s1c2CCCCCc2cc1C(=O)OCC(=O)NCc1ccccc1	PC-id_2665069	343.44	HXMFILSHHJBZKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071567
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)nc([nH]c1=O)C(C)(C)C	EMOLS-id_319268544	343.423	LYWGWCWYWGIAQL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071286
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(nn1C1CCOCC1)C	EMOLS-id_319656235	343.423	ZIMMZVAQRYNCOW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071287
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(nn1C)C1CCOCC1	MCULE-1119158593,EMOLS-id_319941881	343.423	OUJUFSGLYGTZIU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071288
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1nnc(o1)C1CCCC1	EMOLS-id_319218487	343.423	BZOAKLPSBYHILB-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-071289
Cc1c[nH]c(n1)C1(CCOCC1)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_318893249	343.423	UZDSUOZIUXUVRO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071290
Cc1ncoc1C(=O)N1Cc2ccnn2CCC1CN1CCCCC1	EMOLS-id_313745331	343.423	YSMOGVUGWOJMHN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071291
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCCC1	ZINC22_585098444	343.423	YSMOGVUGWOJMHN-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071292
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCCC1	ZINC22_585098445	343.423	YSMOGVUGWOJMHN-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071293
Cc1nc(O)nc(C)c1CCC(=O)NCc1n[nH]c2c1CCCCC2	EMOLS-id_232842683,ZINC22_827820451,MCULE-5148633176	343.423	PECOMDRYTPXPKV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071294
Cc1nn(cc1NC(=O)c1cnc2n1CCCCC2)C1CCOCC1	EMOLS-id_319856705	343.423	IJBSEWVVDWFYDO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071295
Cc1nn(cc1NC(=O)c1n[nH]c2c1CCCCC2)C1CCOCC1	EMOLS-id_319305075	343.423	QWPHCKMYITVPRA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071296
Cc1n[nH]c(c1)N1CCC(CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111442310	343.423	UZTZFDNHSHFPJN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071297
Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc2n(n1)CCCN(C)C2	ZINC22_65467938,PC-id_95137959	343.423	OQSKXAVEKGMXQH-INIZCTEOSA-N	00000010100000000101100000000010000000000000000000000000	31-01-071298
Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cc2n(n1)CCCN(C)C2	ZINC22_65467942,PC-id_95137960	343.423	OQSKXAVEKGMXQH-MRXNPFEDSA-N	00000010100000000101100000000010000000000000000000000000	31-01-071299
Cc1noc(C)c1CN1Cc2ccnn2CCC1CNC(=O)C1CC1	EMOLS-id_313742516	343.423	BJUVROGAXSKEOO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071300
Cc1noc(C)c1CN1Cc2ccnn2CC[C@H]1CNC(=O)C1CC1	ZINC22_585096726	343.423	BJUVROGAXSKEOO-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071301
Cc1noc(C)c1CN1Cc2ccnn2CC[C@@H]1CNC(=O)C1CC1	ZINC22_585096727	343.423	BJUVROGAXSKEOO-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071302
Cc1occc1C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	PC-id_97405554,EMOLS-id_46182489,ZINC22_96084731	343.423	CEAIJVDPLUZZSP-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-071303
Cc1occc1C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	CoCoCo_4492007,ZINC22_40481320,PC-id_45802692,EMOLS-id_31867910,MCULE-6960661190	343.423	WUNBISKQRVZNKQ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-071304
Cc1ocnc1CN1CCN(CC1)C(=O)c1cnc2n1CCCCC2	EMOLS-id_319776982	343.423	NTPJBYZGZUJKDB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071305
CCc1ccc(OCCN(C)C(=O)[C@H]2CCCCn3nnnc23)cc1	PC-id_52396604,ZINC22_55357797	343.423	RQTQCZNGIWFPHD-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071306
CCc1ccc(OCCN(C)C(=O)[C@@H]2CCCCn3nnnc23)cc1	ZINC22_55357796,PC-id_52396603	343.423	RQTQCZNGIWFPHD-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071307
CCc1nc(C)ccc1OCC(=O)NCc1cc2CNCCCn2n1	PC-id_70747087,ZINC22_82120204,EMOLS-id_44438417,MCULE-4623915854	343.423	IEIJPGRKGUTNJK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071308
CC(C1N(CCCn2c1ncc2)C(=O)Cn1c(C)cc(nc1=O)C)C	EMOLS-id_97006510,MCULE-2340967563	343.423	CJAAWDXJAZPLPM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071309
CCCc1[nH]c(=O)cc(c1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_319682568	343.423	IMHQXZFYYXMWIE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071310
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccccc1OC	PC-id_72137923,EMOLS-id_42886335,MCULE-9871641104	343.423	SLYRLIJMVOXGMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071311
CC(C)C[C@H](NC(=O)c1cccc(O)c1)c1nnc2n1CCNCC2	PC-id_95199030,ZINC22_67673211	343.423	UQFXGOIUTACFKN-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071312
CC(C)C[C@@H](NC(=O)c1cccc(O)c1)c1nnc2n1CCNCC2	PC-id_95199031,ZINC22_67673212	343.423	UQFXGOIUTACFKN-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071313
C/C=C(CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1ccco1)C)/C	CoCoCo_1253293,CoCoCo_1253295	343.423	KIZKREKRPYFUCP-HNFXJGKRSA-N	00000000101000000101000000000010000000000000000000000000	31-01-071314
C/C=C(/CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1ccco1)C)C	CoCoCo_1253296,CoCoCo_1253294	343.423	KIZKREKRPYFUCP-QJIMOZNHSA-N	00000000101000000101000000000010000000000000000000000000	31-01-071315
C/C=C(CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1ccco1)C)/C	CoCoCo_1253297,CoCoCo_1253299	343.423	KIZKREKRPYFUCP-YLIUPVCFSA-N	00000000101000000101000000000010000000000000000000000000	31-01-071316
C/C=C(/CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1ccco1)C)C	CoCoCo_1253300,CoCoCo_1253298	343.423	KIZKREKRPYFUCP-HIICFIELSA-N	00000000101000000101000000000010000000000000000000000000	31-01-071317
C/C=C(/CN1CCc2n(CC1)c(nn2)C(NC(=O)c1ccco1)C)C	ChEMBL-DNDi_CHEMBL25441113	343.423	KIZKREKRPYFUCP-YIXHJXPBSA-N	00000000101000000101000000000010000000000000000000000000	31-01-071318
CC(=CCN1CCc2nnc(CCNC(=O)c3ccco3)n2CC1)C	ZINC22_299775441,EMOLS-id_68897765,PC-id_118756751,MCULE-4420370872	343.423	JJZJIHOCPVXZKJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-071319
CC(=CCN1CCc2nnc([C@H](C)NC(=O)c3ccco3)n2CC1)C	PC-id_42376333,ZINC22_12048648,CoCoCo_1444051,CoCoCo_1444050	343.423	FIINPPJPMOVNJM-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-071320
CC(=CCN1CCc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC1)C	ZINC22_12048645,CoCoCo_1444048,CoCoCo_1444049,PC-id_42376331	343.423	FIINPPJPMOVNJM-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-071321
CC(C)CNC(=O)C1CCc2nn(Cc3ccncc3)c(=O)n2CC1	MCULE-5664073030,EMOLS-id_207877110	343.423	NYLFTEBMWNBDJY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071322
CCCCOc1ccccc1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319710479	343.423	QJKODNKLLHOCKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071323
CCC(C)Oc1ccc(cc1)NC(=O)N1CCCn2c(cc(n2)N)C1	PC-id_136560674,MCULE-8043922970,EMOLS-id_316976496	343.423	MJKZGEOIQQXXDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071324
CC(C)COc1ccc(C(=O)NCc2nnc3n2CCCCC3)cn1	PC-id_45830393,EMOLS-id_32000194,ZINC22_40549793,MCULE-2570187114,CoCoCo_4936269	343.423	STXRCDAOINXMPS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071325
CC(CCOc1ccc(nn1)NC(=O)c1cnc2n1CCCCC2)C	EMOLS-id_278192572	343.423	BHEUTCIGCDBRSY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071326
CCCCOc1ncccc1CNC(=O)C1CCn2c(CC1)nnc2	MCULE-1498158166,EMOLS-id_319962215	343.423	CBKFVFAVDMKPTJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071327
CC[C@@H](C)Oc1ccc(NC(=O)N2CCCn3nc(N)cc3C2)cc1	ZINC22_1616038362	343.423	MJKZGEOIQQXXDN-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071328
CC[C@H](C)Oc1ccc(NC(=O)N2CCCn3nc(N)cc3C2)cc1	ZINC22_1616038364	343.423	MJKZGEOIQQXXDN-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071329
CC[C@H](NC(=O)Nc1ccccc1OC)c1nnc2n1CCCCC2	PC-id_95763305,ZINC22_72275164	343.423	SLYRLIJMVOXGMD-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071330
CC[C@@H](NC(=O)Nc1ccccc1OC)c1nnc2n1CCCCC2	PC-id_95763306,ZINC22_72275165	343.423	SLYRLIJMVOXGMD-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071331
CC(C)NC(=O)c1ncn2c1CN(C(=O)CCc1ccc[nH]1)CCC2	EMOLS-id_313788989,ZINC22_1565554067	343.423	QXEIBWLCEWTINO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-071332
CCCNC(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	MCULE-5602988053,EMOLS-id_207877188	343.423	WDPSDPHDMQTOSA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071333
CC(C)NC(=O)N1Cc2ccnn2C[C@H](COCc2cccnc2)C1	PC-id_97463575,ZINC22_96189164	343.423	FSZOECWZLDZZJW-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071334
CC(C)NC(=O)N1Cc2ccnn2C[C@@H](COCc2cccnc2)C1	ZINC22_96189165,PC-id_97463576	343.423	FSZOECWZLDZZJW-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071335
CC(C)NC(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1	PC-id_97462538,ZINC22_96188093	343.423	ONJLPFJFHHMBIR-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071336
CC(C)NC(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1	ZINC22_96188096,PC-id_97462541	343.423	ONJLPFJFHHMBIR-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071337
CC(C)NC(=O)N1CC(COCc2cccnc2)Cn2ccnc2C1	EMOLS-id_44326031	343.423	ONJLPFJFHHMBIR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071338
CC(C)NC(=O)N1CC(COCc2cccnc2)Cn2nccc2C1	EMOLS-id_44327111	343.423	FSZOECWZLDZZJW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071339
CCCOC1c2c(ncn2Cc2ccc(OC)cc2)N=CN(C)N1C	BindingDB_PC-id_11405172,CHEMBL9435,PC-id_11405172	343.423	PQIFJDRISXFIQN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-071340
CCCOc1cc(C)ccc1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319863355	343.423	KEFKMRUAVAZIOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071341
CCCOc1ncccc1CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318231389	343.423	PHJDTCMHNUBESO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071342
C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCCc2c(cnn2C)C1	PC-id_146093570,MCULE-9174525218,EMOLS-id_324073510,ZINC22_1875314753	343.423	QCXDLEBNOPUGSW-NEPJUHHUSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071343
C[C@@H]1O[C@H](C)Cc2c(C(=O)N3Cc4c[nH]nc4CC(C)(C)C3)n[nH]c12	ZINC22_1857528657,EMOLS-id_323965136,PC-id_146111375,MCULE-5069826469	343.423	GSRGMLJDWWJQEN-MNOVXSKESA-N	00000000100010000101000000010010000000000000000000000000	31-01-071344
C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCc4c(cnn4C)C3)nn(C)c12	ZINC22_1857529728,PC-id_146110943,MCULE-4158753144,EMOLS-id_323951831	343.423	HZLYORRASIEVMV-NEPJUHHUSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071345
C[C@@H](NC(=O)N1Cc2cnn(C)c2CC(C)(C)C1)c1ccnc(O)c1	ZINC22_663213308	343.423	WEMWFMNYHGLBNR-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071346
C[C@H](NC(=O)N1Cc2cnn(C)c2CC(C)(C)C1)c1ccnc(O)c1	ZINC22_663213309	343.423	WEMWFMNYHGLBNR-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071347
CCn1nc(C)cc1C(=O)N1Cc2cccn2C[C@H](CC(=O)NC)C1	ZINC22_585099207	343.423	VGMUAZJDWFTZEE-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071348
CCn1nc(C)cc1C(=O)N1Cc2cccn2C[C@@H](CC(=O)NC)C1	ZINC22_585099208	343.423	VGMUAZJDWFTZEE-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071349
CCn1nc(C)cc1C(=O)N1CC(CC(=O)NC)Cn2cccc2C1	EMOLS-id_313808431	343.423	VGMUAZJDWFTZEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071350
CCN(CC)C(=O)N1CCc2nn(c(=O)n2CC1)Cc1ccccc1	PC-id_91922522	343.423	GGDRUCJISIFWNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071351
CCN(C)C(=O)c1cnn2c1CN(C(=O)C1(C#N)CCCC1)CCC2	EMOLS-id_313768129,ZINC22_1565544036	343.423	BGURWWNTEYLMOF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071352
CCN(C)C(=O)c1cnn2c1CN(C(=O)CCc1ccc[nH]1)CCC2	ZINC22_1565544913,EMOLS-id_313768385	343.423	AKEXYAVLOIMINY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-071353
CC(Oc1ccccc1C)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318837776	343.423	NHMUAETUGNTIKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071354
CCOc1ccc(cc1C)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320319018,MCULE-9808965703	343.423	LMHNYPGRWXFOKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071355
CCOc1ccccc1CCNC(=O)N1CCCn2c(C1)cc(n2)N	MCULE-2678326048,EMOLS-id_319863742	343.423	RJDWXOXCKNOLOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071356
CC(Oc1ccccc1CNC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319101423	343.423	CMPKJDXLFJVBET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071357
CC(Oc1ccc(cc1C)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319496039	343.423	UNLMQBGBYNVKRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071358
CCOc1ccccc1C(NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319756033	343.423	IMWGXKHRXQACBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071359
CC(Oc1cccc(c1)CNC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_319933486,MCULE-6189020602	343.423	BDOZQKDXZUEPCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071360
CC(Oc1cc(ccc1C)NC(=O)N1CCCn2c(C1)cc(n2)N)C	MCULE-1548785534,EMOLS-id_320278614	343.423	UQUZJBKJMRXPJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071361
CCOc1ccc(cc1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318813014	343.423	NQPQZLLDWGVQCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071362
CCOc1ccccc1NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319714092	343.423	CMSLZXOKMUKMQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071363
CCOc1ccccc1NC(=O)N[C@H](C)c1nnc2n1CCCCC2	EMOLS-id_36340342,PC-id_53560917,ZINC22_69417609,MCULE-8939760714	343.423	ZYMVRUHZTLMCCI-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071364
CCOc1cc(C)ccc1CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_320289338,MCULE-4687094925	343.423	MSSXFDXIEUFKGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071365
CCOc1cccc(NC(=O)N(C)Cc2nnc3n2CCCCC3)c1	ZINC22_952995596,EMOLS-id_317036559,MCULE-9872224739	343.423	QWTDHUVOSXZZBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071366
CC(=O)c1c(C)[nH]c(C(=O)NCCc2nnc3n2CCCCC3)c1C	EMOLS-id_17213570,PC-id_24248229,CoCoCo_4559872,MCULE-1072379858,ZINC22_24980461	343.423	KQADIAVWEJEKCE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-071367
CCOCc1ccccc1CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319969531,MCULE-6984728615	343.423	ZYANOGFDPZWMMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071368
CC(OCc1cccc(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_318804699	343.423	DQZYURACTQFOGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071369
CCOCc1nnc2CC(C)N(CCn12)C(=O)c1cc(C)nc(C)c1	EMOLS-id_313824038	343.423	SFLPEVGCTVOEKK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071370
CCOCc1nnc2n1CCN(C(=O)c1cc(C)nc(C)c1)[C@@H](C)C2	ZINC22_585098217	343.423	SFLPEVGCTVOEKK-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071371
CCOCc1nnc2n1CCN(C(=O)c1cc(C)nc(C)c1)[C@H](C)C2	ZINC22_585098218	343.423	SFLPEVGCTVOEKK-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071372
Cn1cccc1C(=O)N1CCc2ncc(CN3CCOCC3)n2CC1	PC-id_97467052,EMOLS-id_44328747,ZINC22_96196908	343.423	AYRHONCXGWYLCR-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-071373
Cn1ncc(c1)C1OCCC(C1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318134136	343.423	UPTBTPSUQTXNOZ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071374
Cn1ncc(c1)CN1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100119012	343.423	RHQJPYMCQKQCKT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071375
CN(Cc1ccccc1O)C(=O)NCCc1nnc2n1CCCCC2	MCULE-4103012282,ZINC22_45384738,PC-id_52216013,EMOLS-id_36637901	343.423	DGBNSQFPMIVMIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071376
CN(C)CCOCC1CN(Cc2ccnn2C1)C(=O)c1cccnc1	PC-id_118739412,EMOLS-id_46128741	343.423	STODFCHLRPXYRV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071377
CN(C)CCOCc1ncn2c1CN(C(=O)c1ccncc1)CCC2	PC-id_97405876,ZINC22_96085058,EMOLS-id_46183137	343.423	QKBZXMOGBQUTHV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071378
CN(C)CCOC[C@H]1CN(C(=O)c2cccnc2)Cc2ccnn2C1	ZINC22_96044191,PC-id_97367704	343.423	STODFCHLRPXYRV-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071379
CN(C)CCOC[C@@H]1CN(C(=O)c2cccnc2)Cc2ccnn2C1	ZINC22_96044192,PC-id_97367705	343.423	STODFCHLRPXYRV-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071380
CN(CCOc1ccccc1)C(=O)NCc1nnc2n1CCCCC2	PC-id_45810661,EMOLS-id_31894500,MCULE-5249996760,ZINC22_44910074	343.423	ZDQFBICBUGZNFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071381
CN(CCOCC1CN(Cc2n(C1)ncc2)C(=O)c1ccccn1)C	PC-id_118739407	343.423	QDXCPXFKSKRYBS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071382
CN(C)C(=O)CN1Cc2ccnn2CCC1COc1ccc(C)nc1	EMOLS-id_313819169	343.423	RUWKLVOZGJVDGO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071383
CN(C)C(=O)COCC1CN(Cc2ccccn2)Cc2ccnn2C1	EMOLS-id_44326995	343.423	ZOYUXTCQXLXILO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071384
CN(C)C(=O)COCC1CN(Cc2ccccn2)Cc2nccn2C1	EMOLS-id_46160453	343.423	SKMPHPPQTYLUKA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071385
CN(C)C(=O)COCC1CN(Cc2cccnc2)Cc2ccnn2C1	EMOLS-id_44326997	343.423	TZYZHGNTOGRLDI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071386
CN(C)C(=O)COCC1CN(Cc2cccnc2)Cc2cncn2C1	EMOLS-id_49237229	343.423	QZEUZNVCZYIPII-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071387
CN(C)C(=O)COCC1CN(Cc2cccnc2)Cc2nccn2C1	EMOLS-id_46160455	343.423	DYTAIZDICLAWJN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071388
CN(C)C(=O)COCC1CN(Cc2ccncc2)Cc2ccnn2C1	EMOLS-id_44326999	343.423	MKTUTLMIXHAOMR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071389
CN(C)C(=O)COCC1CN(Cc2ccncc2)Cc2nccn2C1	EMOLS-id_46160457	343.423	DRMISEZWZDTSMZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071390
CN(C)C(=O)COC[C@H]1CN(Cc2ccccn2)Cc2ccnn2C1	PC-id_97463485,ZINC22_96189068	343.423	ZOYUXTCQXLXILO-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071391
CN(C)C(=O)COC[C@@H]1CN(Cc2ccccn2)Cc2ccnn2C1	ZINC22_96189069,PC-id_97463486	343.423	ZOYUXTCQXLXILO-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071392
CN(C)C(=O)COC[C@H]1CN(Cc2ccccn2)Cc2nccn2C1	PC-id_97389175,ZINC22_96066836	343.423	SKMPHPPQTYLUKA-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071393
CN(C)C(=O)COC[C@@H]1CN(Cc2ccccn2)Cc2nccn2C1	PC-id_97389176,ZINC22_96066837	343.423	SKMPHPPQTYLUKA-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071394
CN(C)C(=O)COC[C@@H]1CN(Cc2cccnc2)Cc2ccnn2C1	PC-id_97463488,ZINC22_96189071	343.423	TZYZHGNTOGRLDI-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071395
CN(C)C(=O)COC[C@H]1CN(Cc2cccnc2)Cc2ccnn2C1	ZINC22_96189070,PC-id_97463487	343.423	TZYZHGNTOGRLDI-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071396
CN(C)C(=O)COC[C@H]1CN(Cc2cccnc2)Cc2cncn2C1	PC-id_97485731,ZINC22_96218714	343.423	QZEUZNVCZYIPII-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071397
CN(C)C(=O)COC[C@@H]1CN(Cc2cccnc2)Cc2cncn2C1	ZINC22_96218716,PC-id_97485733	343.423	QZEUZNVCZYIPII-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071398
CN(C)C(=O)COC[C@H]1CN(Cc2cccnc2)Cc2nccn2C1	ZINC22_96066838,PC-id_97389177	343.423	DYTAIZDICLAWJN-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071399
CN(C)C(=O)COC[C@@H]1CN(Cc2cccnc2)Cc2nccn2C1	ZINC22_96066839,PC-id_97389178	343.423	DYTAIZDICLAWJN-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071400
CN(C)C(=O)COC[C@@H]1CN(Cc2ccncc2)Cc2ccnn2C1	PC-id_97463490,ZINC22_96189073	343.423	MKTUTLMIXHAOMR-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071401
CN(C)C(=O)COC[C@H]1CN(Cc2ccncc2)Cc2ccnn2C1	ZINC22_96189072,PC-id_97463489	343.423	MKTUTLMIXHAOMR-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071402
CN(C)C(=O)COC[C@H]1CN(Cc2ccncc2)Cc2nccn2C1	PC-id_97389179,ZINC22_96066840	343.423	DRMISEZWZDTSMZ-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071403
CN(C)C(=O)COC[C@@H]1CN(Cc2ccncc2)Cc2nccn2C1	PC-id_97389180,ZINC22_96066841	343.423	DRMISEZWZDTSMZ-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071404
COc1ccc(cc1CCNC(=O)N1CCCn2c(C1)cc(n2)N)C	EMOLS-id_320334687,MCULE-7296081618	343.423	DOXQVBDGCGBZCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071405
COc1ccccc1CCNC(=O)NCc1nnc2n1CCCCC2	ZINC22_45570847,EMOLS-id_31894490,MCULE-7975113426,PC-id_51077500	343.423	UWLSLUMHOOIOEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071406
COc1ccccc1CN1Cc2ncnn2C[C@@H](C(=O)NC(C)C)C1	ZINC22_306142220	343.423	WTRNYLUYYPTSGL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071407
COc1ccccc1CN1Cc2ncnn2C[C@H](C(=O)NC(C)C)C1	ZINC22_306142221	343.423	WTRNYLUYYPTSGL-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071408
COc1ccccc1CN1CC(Cn2ncnc2C1)C(=O)NC(C)C	EMOLS-id_55739510	343.423	WTRNYLUYYPTSGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071409
COc1cccc(c1C)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319322774	343.423	WLQTUDMVOOVCET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071410
COc1ccc(c(c1)C)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319367180	343.423	UWCBGBGYFKFGRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071411
COc1ccccc1CNC(=O)NCCc1nnc2n1CCCCC2	MCULE-7716272326,ZINC22_45607534,EMOLS-id_35698554,PC-id_53519004	343.423	DLVISOCDWIVSIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071412
COc1ccc(cc1NCc1nnc2n1CCCCC2)C(=O)N(C)C	EMOLS-id_318047289	343.423	RHICVASKFATWKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071413
COc1ccc(cc1NC(=O)N(Cc1nnc2n1CCCCC2)C)C	EMOLS-id_320163284,MCULE-3403733600	343.423	PGENGSLJQQXTGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071414
COc1cccc(c1NC(=O)N(Cc1nnc2n1CCCCC2)C)C	EMOLS-id_320234220,MCULE-8612961118	343.423	PXGBJRLTVAVTJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071415
COc1cc(C)c(c(c1C)C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319963189,MCULE-1907217233	343.423	RGNHLGKFNITIMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071416
COc1cc(C)ccc1NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319612011	343.423	SJYZFJIGINSCJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071417
COc1cccc(C)c1NC(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_73053664,ZINC22_195005496,MCULE-6097470475,PC-id_121534811	343.423	UQDQSZWYULMESA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071418
COc1cccc(CCNC(=O)NCc2nnc3n2CCCCC3)c1	ZINC22_43779634,PC-id_45830188,MCULE-5367424491,EMOLS-id_31998148	343.423	OTOFTDTVWVXGAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071419
COc1cccc(CNC(=O)N(C)C2CCc3nnc(C)n3CC2)c1	MCULE-4602324184,PC-id_91910793,EMOLS-id_50590464	343.423	LMWZJKHFTUDMLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071420
COc1ccc(CCNC(=O)NCc2nnc3n2CCCCC3)cc1	PC-id_53498320,MCULE-8092310415,EMOLS-id_35698460,ZINC22_45570729	343.423	DGIUFNMPJPTDHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071421
COc1ccc(CN(C)C(=O)NCc2nnc3n2CCCCC3)cc1	EMOLS-id_29573441,CoCoCo_4790781,ZINC22_36393276,MCULE-1055194918,PC-id_45875861	343.423	OARXMHZSGDYHJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071422
COc1ccc(CNC(=O)N(C)C2CCc3nnc(C)n3CC2)cc1	MCULE-4830996408,EMOLS-id_50590468,PC-id_91910794	343.423	UCRABTPIYWLWAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071423
COc1ccc(C(=O)N[C@H](c2nnc3n2CCNCC3)C(C)C)cc1	ZINC22_299768179	343.423	GXSGNSCPLSHMDN-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071424
COc1ccc(C(=O)N[C@@H](c2nnc3n2CCNCC3)C(C)C)cc1	ZINC22_299768182	343.423	GXSGNSCPLSHMDN-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071425
COCc1ccccc1CNC(=O)NCc1nnc2n1CCCCC2	PC-id_71897853,EMOLS-id_45749171,MCULE-8501691055,ZINC22_89420382	343.423	JUBGLWVFQSFFHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071426
COCc1ccc(cc1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_320080586,MCULE-4086255767	343.423	KOGZSZOJVZUVBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071427
COCc1cccc(NC(=O)N[C@H](C)c2nnc3n2CCCCC3)c1	PC-id_53560906,MCULE-5589798583,EMOLS-id_36340344,ZINC22_69417585	343.423	NPAWSIIDMPBUSS-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071428
COCc1nnc2CCC(CCn12)NC(=O)NCCc1ccccc1	EMOLS-id_50590357,PC-id_91922607,MCULE-3556021474	343.423	NXZROOZKZMLKOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071429
COCC(Nc1ccccc1NC(=O)C1CCn2c(CC1)nnc2)C	MCULE-8107240729,EMOLS-id_320236151	343.423	GMXUCSHHYSOTKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071430
COCCNC(=O)C1CN(Cc2cccc(C)n2)Cc2ccnn2C1	PC-id_118746698,EMOLS-id_44326655	343.423	NJXCZFVQNARNCB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071431
COCCNC(=O)[C@@H]1CN(Cc2cccc(C)n2)Cc2ccnn2C1	PC-id_97463229,ZINC22_96188798	343.423	NJXCZFVQNARNCB-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071432
COCCNC(=O)[C@H]1CN(Cc2cccc(C)n2)Cc2ccnn2C1	PC-id_97463230,ZINC22_96188799	343.423	NJXCZFVQNARNCB-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071433
COCC(=O)N1CCc2n(CC1)c(cn2)CN(Cc1cccnc1)C	PC-id_97390240	343.423	NDRJJVARIMSRAP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071434
COCC(=O)N1CC(CN(Cc2cccnc2)C)Cn2c(C1)ncc2	PC-id_118740949	343.423	PKNRRGRMIBAOBK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071435
N#CC(c1nnc2n1CCCCC2)C(=O)CN1CCCCCCC1=O	PC-id_56801369,MCULE-5371352935,EMOLS-id_37018156	343.423	AFNFQPXSEPXDAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071436
N#C[C@H](C(=O)CN1CCCCCCC1=O)c1nnc2n1CCCCC2	ZINC22_71803546,PC-id_95572871	343.423	AFNFQPXSEPXDAF-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071437
N#C[C@@H](C(=O)CN1CCCCCCC1=O)c1nnc2n1CCCCC2	ZINC22_71803547,PC-id_95572872	343.423	AFNFQPXSEPXDAF-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071438
Oc1ccccc1N1CCN(CC1)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_30637328,PC-id_41725644,MCULE-5169017763	343.423	PEMOTRWLEWCBRK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-071439
Oc1cc(cc(n1)C(C)C)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_318126899	343.423	UDGAHIWRFCCQAO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071440
O=c1n(c(C(C)C)ccc1C(=O)NCc1nn2CCCNCc2c1)C	PC-id_70782829	343.423	UEXWWTJFGCBZHM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071441
OCc1ccc(cc1)CCNC(=O)NCc1nnc2n1CCCCC2	PC-id_109975112	343.423	FWTCOSGBZAFUOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071442
OCc1ccc(cc1)NC(=O)NC(c1nnc2n1CCCCC2)CC	EMOLS-id_319558961	343.423	MZVHWAREDJIYQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071443
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(nc1)OC(C)(C)C	EMOLS-id_319649359	343.423	QBGNJSYLSKHQHY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071444
O=C(c1ccoc1C)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97519760	343.423	DNIVYKYNAMGWTD-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-071445
O=C(c1cnc2n1CCCCC2)N1CCC(CC1)(O)c1ccnn1C	EMOLS-id_319163622	343.423	XMROCJVYCFHDGN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071446
O=C(c1cnc2n1CCCCC2)N1CCC(CC1)(O)c1nccn1C	EMOLS-id_319294880	343.423	JGISFOZRLKLXBD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071447
O=C(C1CN(Cc2n(C1)ncc2)Cc1c(C)noc1C)NCC1CC1	PC-id_118746688	343.423	UZJIFXIAJABZRW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071448
O=C(c1coc(n1)C1CCCCC1)NCc1nnc2n1CCCCC2	EMOLS-id_97927954	343.423	ZTRBBKRWQUNHGQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071449
O=C(c1ncoc1C1CCNCC1)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318981325	343.423	CTDLODHIYIIUMY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071450
O=C(c1n[nH]c2c1CCCCC2)N1CCC(CC1)(O)c1ccnn1C	EMOLS-id_319032606	343.423	XDXGGZMYMQWZHD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071451
O=C(c1n[nH]c2c1CCCCC2)N1CCC(CC1)(O)c1nccn1C	EMOLS-id_319806303	343.423	OXMOCIHOGMMYCB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071452
O=C(c1n[nH]c2c1CCCCC2)N1CCN(CC1)Cc1ncoc1C	EMOLS-id_319370001	343.423	FAXCHFLFUKJZDH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071453
O=C(c1noc2c1CCCCC2)N1CCN(CC1)Cc1ccnn1C	MCULE-5174979442,EMOLS-id_319970865	343.423	GFUCERMJQCADQE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071454
O=C(c1noc2c1CCCCC2)N1CCN(CC1)Cc1nccn1C	EMOLS-id_100121922	343.423	CLODQPNOWPAWPL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071455
O=C(c1noc2c1CCCCC2)NC1CCN(CC1)c1nccn1C	EMOLS-id_97991138	343.423	RNGCADPLDFFRBW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071456
O=C(c1oc(nc1C)CC1CC1)NCCc1nnc2n1CCCCC2	EMOLS-id_100242160	343.423	FGKKWJNLPQOMFL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071457
OCC[C@H](c1ccccc1)NC(=O)NCc1nnc2n1CCCCC2	PC-id_111454064	343.423	IPNSOHXNBRCCCP-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071458
OC(CNC(=O)NCc1n2CCCCCc2nn1)c1ccc(cc1)C	EMOLS-id_31998158,PC-id_51083697,MCULE-9275782235	343.423	RVJFCBLCCQIODN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071459
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)NC(c1ccnc(c1)O)C	MCULE-6396650521,EMOLS-id_316878061	343.423	WEMWFMNYHGLBNR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071460
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)c1cnc(o1)C1CCNCC1	EMOLS-id_318984583	343.423	WOGYPBISSIXJLK-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071461
O=C(N1CCCn2c(C1)cc(n2)N)NCCOc1c(C)cccc1C	EMOLS-id_319658955	343.423	DNFHVCCECADIAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071462
O=C(N(Cc1n2CCCCCc2nn1)c1ccc(OC)cc1)NCC	PC-id_7566015	343.423	FBHYLIPBSFBPIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071463
O=C(NC(c1n2CCCCCc2nn1)C)Nc1cc(ccc1)COC	PC-id_76052004	343.423	NPAWSIIDMPBUSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071464
O=C(NC(c1n2CCCCCc2nn1)C)Nc1c(OCC)cccc1	PC-id_76052005	343.423	ZYMVRUHZTLMCCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071465
O=C(NCc1n2CCCCCc2nn1)N(Cc1ccccc1)CCO	PC-id_60463443	343.423	WWUXNLQMPWIOGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071466
O=C(NCc1nn2CCCN(Cc2c1)CC(C)C)C1C=CC=NC1=O	PC-id_77919104	343.423	JZJSNEKZRQKNTQ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-071467
O=C(NCc1nn2CCCN(Cc2c1)CC(C)C)c1c(=O)[nH]ccc1	PC-id_70782733	343.423	ANLMIWAXRPCFKR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071468
O=C(NCc1nn2c(CN(CCC2)Cc2nc(oc2)C)c1)C1CCC1	PC-id_70710585	343.423	DVMGSIZICGOMLR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-071469
O=C(NCc1nnc2n1CCCCC2)NCC(Cc1ccccc1)O	PC-id_110937030	343.423	BHMMAASSYLKBQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071470
O=C(NCC(c1ccccc1)(O)C)NCc1nnc2n1CCCCC2	PC-id_111334538	343.423	XRGVTKWLLXMLTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071471
O=C(NCCc1n2CCCCCc2nn1)Nc1cc(OCC)ccc1	PC-id_60488536	343.423	SSEVAXOKAYXUDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071472
O=C(NCCc1n2CCCCCc2nn1)Nc1c(OC)cc(cc1)C	PC-id_60545231	343.423	DNRMHBABMXCDTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071473
O=C(NCCc1n2CCCCCc2nn1)N(Cc1ccc(O)cc1)C	PC-id_52651110	343.423	OSDYJFHGDLETIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071474
O=C(NCCc1nnc2n1CCCCC2)N1CCCc2occc2C1	EMOLS-id_177245065,MCULE-9841000087,ZINC22_292432787	343.423	NIPRDXNVFOZCKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071475
O=C(NCC(O)c1cccnc1)c1nn2CCCN(Cc2c1)C(C)C	PC-id_50976567	343.423	VZABTAHLDAILBQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071476
OC(=O)CCc1nn2CCCN(Cc2c1)Cc1cnc(nc1)CCC	PC-id_56891926	343.423	CETMMUARJKRKHJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071477
n12CCCCCc1nnc2C(=Cc1n(Cc2ccccc2)ccc1)C#N	MCULE-7547708670,PC-id_53619186,EMOLS-id_36715451	343.425	DRYJFHLGNMINEP-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-071478
N#C/C(=Cc1cccn1Cc1ccccc1)/c1nnc2n1CCCCC2	PC-id_97537834	343.425	DRYJFHLGNMINEP-NBVRZTHBSA-N	00000000110000110101000000000010000000000000000000000000	31-01-071479
c12C(CCCCn1nnn2)C(=O)NCC1(CC1)Cn1c(C)cc(C)n1	MCULE-4128998059,EMOLS-id_49671636,PC-id_74246155	343.427	USMYORRACFXCFR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071480
c12nnnn1CCCCC2C(=O)N1CCC(CC1)Cn1cc(cn1)C	MCULE-2679750873,EMOLS-id_82725615,PC-id_118781479	343.427	JMXBCEVZRUHRDL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071481
c1(C(CC(C)C)NC(=O)c2ccnc(N)c2)nnc2CCNCCn12	EMOLS-id_36438874,PC-id_56709507,MCULE-9542943192	343.427	FZDPIPDDCSKWLM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071482
c1(cn(nn1)CCC1CCCCN1)C(=O)N1CCCn2cncc2C1	PC-id_70714694,EMOLS-id_43560471,MCULE-4973307122	343.427	SLGWWMDJKNGRFE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071483
c1nc(N2CCOCC2)ncc1CNCc1nnc2n1CCCCC2	ZINC22_71809762,MCULE-6459841190,EMOLS-id_36920704,PC-id_56814809	343.427	ULTJHCOUJCZNEL-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-071484
c1(NC(=O)c2cn3c(CCNCC3)n2)c(C)n(nc1N1CCCC1)C	EMOLS-id_330490387,MCULE-1123140726,ZINC22_1857723159	343.427	XGWOVMDUNWHFSP-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-071485
Cc1cc(C)n(CC2(CNC(=O)[C@@H]3CCCCn4nnnc34)CC2)n1	ZINC22_97729762,PC-id_97936966	343.427	USMYORRACFXCFR-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071486
Cc1cc(C)n(CC2(CNC(=O)[C@H]3CCCCn4nnnc34)CC2)n1	ZINC22_97729765,PC-id_97936967	343.427	USMYORRACFXCFR-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071487
Cc1cc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)n[nH]1	ZINC22_54150733,EMOLS-id_36924002,MCULE-1001957750,PC-id_56816204	343.427	CYCJOQHIGWAUAZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071488
CC1CNc2n(C1)ncc2C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319279486	343.427	YYQOXKSPEYEARO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071489
CC1CNc2n(C1)ncc2C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_319216944	343.427	XPZWFFPUZQNLLB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071490
Cc1cnn(CC2CCN(C(=O)[C@H]3CCCCn4nnnc34)CC2)c1	ZINC22_426541268	343.427	JMXBCEVZRUHRDL-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071491
Cc1cnn(CC2CCN(C(=O)[C@@H]3CCCCn4nnnc34)CC2)c1	ZINC22_426541284	343.427	JMXBCEVZRUHRDL-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071492
Cc1nc(C)n(CC2CN(Cc3nccn3C2)C(=O)N2CCCC2)n1	EMOLS-id_44326565	343.427	SRWPBOVCJDSVRP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071493
Cc1nc(C)n(C[C@H]2CN(C(=O)N3CCCC3)Cc3nccn3C2)n1	PC-id_97463155,ZINC22_96188722	343.427	SRWPBOVCJDSVRP-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071494
Cc1nc(C)n(C[C@@H]2CN(C(=O)N3CCCC3)Cc3nccn3C2)n1	PC-id_97463156,ZINC22_96188723	343.427	SRWPBOVCJDSVRP-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071495
Cc1nc(n(n1)C1CCN(CC1)C(=O)c1cnc2n1CCCCC2)N	EMOLS-id_319365678	343.427	UVGVECWCIWPFHH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071496
Cc1nnc(n1C)N1CCN(CC1)C(=O)c1cnc2n1CCCCC2	EMOLS-id_319975962,MCULE-3827387727	343.427	ZNFBZTCSBCIDHQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071497
CCC(c1nnc2n1CCCCC2)NC(=O)C1CCc2n(C1)cnn2	EMOLS-id_98094118	343.427	ZABFWVKSJKSBKL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071498
CC(C)C[C@H](NC(=O)c1ccnc(N)c1)c1nnc2n1CCNCC2	ZINC22_67804467,PC-id_95212965	343.427	FZDPIPDDCSKWLM-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071499
CC(C)C[C@@H](NC(=O)c1ccnc(N)c1)c1nnc2n1CCNCC2	ZINC22_67804468,PC-id_95212966	343.427	FZDPIPDDCSKWLM-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071500
CC(Nc1nnccc1C(=O)N(Cc1nnc2n1CCCCC2)C)C	EMOLS-id_319164656	343.427	MXIVHKWMHZQBPU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071501
CN1CCCC1c1n[nH]c(c1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_316531115	343.427	HBZDLGNEVSDAEN-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-071502
Cn1ccc(CC(=O)N2CCCn3c(CN4CCCC4)nnc3C2)n1	EMOLS-id_313731794,ZINC22_1565547693	343.427	MFVJGSQAKQJMLY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071503
Cn1cc(c(n1)C1CCCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102162613	343.427	UBGYKXFROPAUBI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071504
Cn1cc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cn1	PC-id_51317246,MCULE-3376105806,EMOLS-id_35508327,ZINC22_54745902	343.427	RFWRVDKCRWYDFM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071505
Cn1nccc1C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_313730519,ZINC22_1565545947	343.427	PNARYRDZJQYUHM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071506
CNc1ncc(CN(C)C(=O)CCc2cc3CNCCCn3n2)cn1	EMOLS-id_43090951,PC-id_70724697,MCULE-4338953963,ZINC22_72418065	343.427	MFPCQNBUDJWNNI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071507
CN(C)c1cc(CNC(=O)NCc2nnc3n2CCCCC3)ccn1	ZINC22_89323026,MCULE-7496380503,EMOLS-id_45750361,PC-id_71896974	343.427	PRGOFBUHLXQXFZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071508
CN(Cc1cnc2CCN(CCn12)C(=O)N(C)C)Cc1cncnc1	ZINC22_96197144,EMOLS-id_44329209,PC-id_97467286	343.427	JNHCJMQMJMXRPP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071509
CN(C)c1ncccc1CNC(=O)NCc1nnc2n1CCCCC2	ZINC22_43779855,MCULE-5190852884,PC-id_51083700,EMOLS-id_31998164	343.427	YJJCRRKDVMJSDM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071510
CN(C)CC(=O)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_306134965	343.427	OCWCOKUIGRDQOI-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071511
CN(C)CC(=O)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_306134966	343.427	OCWCOKUIGRDQOI-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071512
CN(C)CC(=O)N1CC(CCNc2ncccn2)Cn2nccc2C1	EMOLS-id_50375561	343.427	OCWCOKUIGRDQOI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071513
CN(C(=O)C1(CCC1)Cc1[nH]nnc1)Cc1nnc2n1CCCCC2	EMOLS-id_320009197,MCULE-1448730388	343.427	MQBDFASZZYLQMJ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-071514
CN(C(=O)Nc1cnn(c1C1CC1)C)Cc1nnc2n1CCCCC2	EMOLS-id_318924067	343.427	BAPHNCLJNWUNRM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-071515
n1c(N)nc(cc1N1CCOCC1)NCc1c2CCCCCc2[nH]n1	ZINC22_1506418033,MCULE-2395954022,EMOLS-id_316246337	343.427	NTLCWPIVGQRVGL-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-071516
O=C(c1cc(n(n1)C1CCCCC1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102180963	343.427	JXWZJNYSTNSMPY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071517
O=C(c1ccn(n1)C1CCCNC1)NCc1nnc2n1CCCCC2	PC-id_120492497	343.427	LAOPCPOUTYFENL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071518
O=C(c1cc(n(n1)C(C)(C)C)C1CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102164524	343.427	YLQASUCOZXLPNE-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-071519
O=C(c1cn(CC[C@H]2CCCCN2)nn1)N1CCCn2cncc2C1	PC-id_96368004,ZINC22_77320019	343.427	SLGWWMDJKNGRFE-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071520
O=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1CCCn2cncc2C1	ZINC22_77320016,PC-id_96368003	343.427	SLGWWMDJKNGRFE-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071521
O=C(c1cnn(c1C)C1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102179687	343.427	PRJGAMJYNDKNOB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071522
O=C(c1n[nH]c2c1CNCC2)NCCCc1nnc2n1CCCCC2	PC-id_120473396	343.427	TWISXQBRYBDRSP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071523
O=C(Cn1cccn1)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_46862804,PC-id_46480110,EMOLS-id_31872268,MCULE-1104624835	343.427	BNUPMPBNTDLQBW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071524
O=C(N1CCC(C1)c1nccn1C)NCc1nnc2n1CCCCC2	EMOLS-id_98073898	343.427	DBCZGPHLVUQIIY-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-071525
O=C(N1CCCC1)c1nn2c(CN(C(Cn3ncnc3)C)CCC2)c1	PC-id_50955762	343.427	NWSKMJUHRDNJII-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071526
O=C(N1CCCc2c(C1)cnn2C)Nc1ncn(n1)C1CCCCC1	EMOLS-id_101845858	343.427	IQAZZDZFEVMMSA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071527
O=C(N1CCCC(C1)c1[nH]c(c(n1)C)C)C1CCn2c(CC1)nnn2	MCULE-4302823349,EMOLS-id_319910606	343.427	BLWFYLTUHVXSQT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071528
O=C(N1C(CCCC1)c1[nH]ccn1)NCc1n2CCCCCc2nn1	EMOLS-id_45647998,MCULE-9140011823,PC-id_71932394	343.427	RRSIZZSVXPYSGO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071529
O=C(N1CCCC(C1)c1[nH]ccn1)NCc1nnc2n1CCCCC2	EMOLS-id_110470395	343.427	XQEUMNBUILYTNB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071530
O=C(N1CCC(CC1)n1ccnc1)NCc1nnc2n1CCCCC2	EMOLS-id_98522745	343.427	IRMSRRNFBXSTBT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071531
O=C(N1CCCn2c(C1)cc(n2)N)Nc1ccn(n1)C1CCCCC1	EMOLS-id_319109840	343.427	UJIHSZRQULWOAH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071532
O=C(NC1CCCc2c1cnn2C)NCc1nnc2n1CCCCC2	EMOLS-id_110255047	343.427	FMIJAHSEHUGFPJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071533
O=C(Nc1c(C)cc(cc1C)N(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102008511	343.427	IKPGKVCOKQEBTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071534
O=C(Nc1ccnc(c1)N(C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_316689147	343.427	QXNSMPCLFSDJEJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071535
O=C(NCc1nnc2n1CCCCC2)N1CCCC[C@H]1c1ncc[nH]1	PC-id_97084886,ZINC22_89884752	343.427	RRSIZZSVXPYSGO-ZDUSSCGKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071536
O=C(NCc1nnc2n1CCCCC2)N1CCCC[C@@H]1c1ncc[nH]1	PC-id_97084887,ZINC22_89884753	343.427	RRSIZZSVXPYSGO-CYBMUJFWSA-N	00000000100010000101100000000010000000000000000000000000	31-01-071537
O=C(NC(C(C)C)c1n2CCNCCc2nn1)c1nc(nc(c1)C)C	PC-id_56716929	343.427	MVPGYFXTGWCMCX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071538
FC(CCc1cc2n(n1)CCN(CC2)CCC1CCCCC1)(F)F	PC-id_145451572	343.43	FWQBSQTYARYZBI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071539
FC(CCn1ncc2c1CCN(CC2)CCC1CCCCC1)(F)F	PC-id_145451861	343.43	KDZNXNSLODVKSA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071540
FC(CN1CCCC(C1)C(=O)N1CCCCc2c1sc(n2)C)F	EMOLS-id_319801582	343.435	MYGYRBPGVCQRKQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071541
FC(CN1CCC(CC1)C(=O)N1CCCCc2c1sc(n2)C)F	EMOLS-id_319898527,MCULE-7136240664	343.435	QXCQNNIKGIXURD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071542
COC(C1CCCOC1)CS(=O)(=O)N1CCCc2c(C1)cco2	MCULE-4186758948,EMOLS-id_320181276	343.438	NCFPZKPXKFLCKG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-071543
c1(csc2CCCCCc12)C(=O)Nc1ccc(cc1)C(=O)OCC	EMOLS-id_16062791,CoCoCo_2171535,PC-id_16010566,CHEMBL1435253,MCULE-2530561177,ChEMBL-DNDi_CHEMBLC760-0945	343.44	TZJMLJUPAFNRLZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071544
c1(csc2CCCCCc12)C(=O)Nc1cccc(c1)C(=O)OCC	MCULE-7913260933,ChEMBL-DNDi_CHEMBLC760-0923,PC-id_20881837,CoCoCo_2171522,EMOLS-id_16062769	343.44	BBBSLMSCCGZSQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071545
Cc1nc(CO[C@H]2CN(Cc3ccco3)Cc3cccn3C2)cs1	ZINC22_248058251	343.443	VBCTUDGDHVARKT-SFHVURJKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-071609
c1(NC(=O)c2ccc(cc2)C)sc2c(CCCCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL3261-0801,PC-id_724236,SPECS-id_AK-968/15253331,EMOLS-id_2384875,ZINC22_130328,MCULE-3398619944,CoCoCo_1731159	343.44	HSPLHVOLFSLZIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071546
c1(NC(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	BAS-00486811,STOCK1S-37280,MCULE-3061996443,PC-id_673763,CoCoCo_81769,ChEMBL-DNDi_CHEMBL5583048,ZINC22_35935,EMOLS-id_936510	343.44	WQTJOHHHKNWSIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071547
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCCCC2)c1C(=O)O	MCULE-5542855206,PC-id_28860399,EMOLS-id_179129630	343.44	MWSPPICBSKZKKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071548
c1(NC(=O)CCc2ccccc2)sc2c(CCCCC2)c1C(=O)O	EMOLS-id_179129651,MCULE-9223204705,PC-id_28860421	343.44	IAACVOHCSOVNHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071549
C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccccc1	CoCoCo_2861367,PC-id_26417934,ZINC22_15089183	343.44	GVBHVXHMUOCZSE-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071550
C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccccc1	ZINC22_15089184,CoCoCo_2861368,PC-id_26417935	343.44	GVBHVXHMUOCZSE-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071551
CCOC(=O)c1c(sc2c1CCCCC2)N=Cc1ccccc1O	PC-id_135814612	343.44	BWEXKIQEHNKFRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071552
CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(s1)CCCCC2	CoCoCo_3889761,MCULE-7569531050,EMOLS-id_3616921,PC-id_9327386,ZINC22_8192384	343.44	LXVRLRUBHGXXDK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071553
CN(C(=O)COC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	EMOLS-id_13796414,CHEMBL1407185,CoCoCo_2861416,MCULE-3818789676,PC-id_2668983,ZINC22_3551990	343.44	XIPAAMMKUHLGGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071554
COC(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CCCCC3)c1	EMOLS-id_43836196,CoCoCo_3302570,ZINC22_6235937,PC-id_7920528,MCULE-4756987243	343.44	NTLVWGVMTCCXRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071555
O=C(C(OC(=O)c1cc2c(s1)CCCCC2)C)Nc1ccccc1	EMOLS-id_43703941,MCULE-7654225580,PC-id_16509431	343.44	GVBHVXHMUOCZSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071556
O=C(N1CCCc2c(C1)ccs2)CC(c1ccccc1)(C(=O)O)C	EMOLS-id_318335618,MCULE-6943165157	343.44	LUZFCRCEMSWPBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071557
O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)CCCCCC2	ZINC22_7911665,MCULE-6159711094,EMOLS-id_23981624,PC-id_9035627,CoCoCo_3235487	343.44	IOQDBHVEPSBZLQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071558
O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc2c(s1)CCCCC2	CoCoCo_3917769,ZINC22_9646818,PC-id_41156961	343.44	OGDPWNWLAYZPKA-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071559
O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cc2c(s1)CCCCC2	CoCoCo_3917770,PC-id_41156964,SCHEMBL17988513,ZINC22_9646821	343.44	OGDPWNWLAYZPKA-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071560
OC(=O)Cc1ccccc1NC(=O)c1sc2c(c1)CCCCCC2	MCULE-1076486378,PC-id_119218219,EMOLS-id_51590698	343.44	UCDQZRKTYFLFGN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071561
OC(=O)C(NC(=O)c1cc2c(s1)CCCCC2)Cc1ccccc1	EMOLS-id_3633600,PC-id_16346511,MCULE-4657526277	343.44	OGDPWNWLAYZPKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071562
s1c2CCCCCc2cc1C(=O)Nc1c(cccc1)C(=O)OCC	PC-id_7958159	343.44	JIMTUPAKNKBSIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071563
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C	PC-id_16509457	343.44	QGQDLWZHGFZPEY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071564
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(ccc1)C	PC-id_7352089	343.44	LHJSRRLAJSSFQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071565
s1c2c(CCCCC2)c(c1N/C=C
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s1c2c(CCCCC2)c(c1NC=C1C(=O)C=CC=C1)C(=O)OCC	PC-id_74203571	343.44	VUUXOIUYKOPQQQ-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-071569
s1c2c(CCCCC2)c(c1NC(=O)c1cc(ccc1)C)C(=O)OC	PC-id_3265283	343.44	LCBQQXBRIPTWIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071570
s1c2c(CCCCC2)c(c1NC(=O)c1c(cccc1)C)C(=O)OC	PC-id_4340009	343.44	BVULLSASAIHPJY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071571
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccccc1)C(=O)OC	PC-id_4443765	343.44	YFMYGXRLHXEYLT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071572
s1c2CCCCCCc2cc1C(=O)OC(c1ccccc1)C(=O)N	PC-id_18135113	343.44	GVECXOGAZLJRAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071573
s1c2c(CCCCCC2)c(c1NC(=O)c1ccccc1)C(=O)OC	PC-id_4645847	343.44	YMPMQOUSVJBHNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071574
s1c(Nc2ccccc2)c2CCCCCc2c1C(=O)C(=O)OCC	PC-id_44512769	343.44	GJYXBURPKBJHQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071575
s1c(nc(c1)C)Cc1c2-c(c(c1)C(=O)c1ccccc1)ccccc2	PC-id_9906112	343.441	HQTUWOPEGRXAPD-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-071576
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CC1COCC(O1)(C)C	MCULE-4126943741,EMOLS-id_320056475	343.442	PVRSYCDBKNZDCM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071577
CC(C)COCC1CN(Cc2cncn2C1)C(=O)CS(=O)(=O)C	EMOLS-id_49233721	343.442	DACBWKZMDSHBBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071578
CC(C)COC[C@H]1CN(C(=O)CS(=O)(=O)C)Cc2cncn2C1	ZINC22_96209688,PC-id_97477815	343.442	DACBWKZMDSHBBU-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071579
CC(C)COC[C@@H]1CN(C(=O)CS(=O)(=O)C)Cc2cncn2C1	ZINC22_96209689,PC-id_97477816	343.442	DACBWKZMDSHBBU-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071580
CO[C@H]1COC[C@H]1S(=O)(=O)N1Cc2cnn(C)c2CC(C)(C)C1	EMOLS-id_316877035,MCULE-9778919829,ZINC22_663177228	343.442	NAUPADBTVHYVTR-UONOGXRCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071581
CO[C@H]1COC[C@@H]1S(=O)(=O)N1Cc2cnn(C)c2CC(C)(C)C1	ZINC22_1615555769	343.442	NAUPADBTVHYVTR-KBPBESRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071582
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1Cc2cnn(C)c2CC(C)(C)C1	ZINC22_1615555773	343.442	NAUPADBTVHYVTR-KGLIPLIRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071583
CO[C@@H]1COC[C@H]1S(=O)(=O)N1Cc2cnn(C)c2CC(C)(C)C1	ZINC22_1615555775	343.442	NAUPADBTVHYVTR-ZIAGYGMSSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071584
CS(=O)(=O)N1Cc2cncn2C[C@H](COCC2CCOCC2)C1	PC-id_97477771,ZINC22_96209644	343.442	GNQOKMGRRUTIMI-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071585
CS(=O)(=O)N1Cc2cncn2C[C@@H](COCC2CCOCC2)C1	ZINC22_96209645,PC-id_97477772	343.442	GNQOKMGRRUTIMI-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071586
CS(=O)(=O)N1CC(COCC2CCOCC2)Cn2cncc2C1	EMOLS-id_49233643	343.442	GNQOKMGRRUTIMI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071587
Fc1ccccc1CN1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_95947609,PC-id_45805772,EMOLS-id_30197940,MCULE-5544220164	343.442	IYENPEKQAZMOGS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-071588
Fc1cccc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)c1	EMOLS-id_31877350,ZINC22_42596789,MCULE-1624373740,PC-id_51075938	343.442	CVCDFHOEXQJCGO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-071589
Fc1ccc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	EMOLS-id_31883471,PC-id_51076727,ZINC22_44586902,MCULE-2036316447	343.442	ZWJIUGKKBUSHCZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-071590
OC(=O)c1ccc(s1)S(=O)(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318325711,MCULE-5277486338	343.442	KVZYILPHWLKEHI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-071591
OC(=O)c1csc(c1)S(=O)(=O)N1CCCc2c(C1)ccs2	MCULE-5776353944,EMOLS-id_318159356	343.442	LBPAOWKPISRUBK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-071592
OC(=O)c1sccc1S(=O)(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318326991,MCULE-4950661447	343.442	QFCHMXGNLFPHEQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-071593
OC(=O)c1scc(c1)S(=O)(=O)N1CCCc2c(C1)ccs2	MCULE-5607828684,EMOLS-id_318325967	343.442	LDSQUPXTFSKNNV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-071594
c12C(=O)NCCCc1nc(NC(=O)c1ccc(cc1)C(C)(C)C)s2	EMOLS-id_48619024,ZINC22_96124386,MCULE-8847057629,PC-id_71811032	343.443	YVOSNCKVEKHZJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071595
c12C(=O)NCCCc1nc(NC(=O)CCCCc1ccccc1)s2	PC-id_72720024,ZINC22_211131045,MCULE-4564014037,EMOLS-id_50139259	343.443	DVYIOINSLIFJMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071596
c1(cc2c(CCCCC2)s1)C(=O)NNC(=O)Nc1ccccc1C	TIMTEC303585,MCULE-5500563038,PC-id_17380801,EMOLS-id_7708230,CoCoCo_6842583	343.443	MCNGEZVUGCGQPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071597
c1coc(COCc2ncn3c2CN(Cc2cccs2)CCC3)c1	ZINC22_96259988,PC-id_97520068,EMOLS-id_44371508	343.443	NDLPDNKGBZHDLP-UHFFFAOYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-071598
c1coc(COCc2ncn3c2CN(Cc2ccsc2)CCC3)c1	EMOLS-id_46148357,ZINC22_96059033,PC-id_97381686	343.443	MVJZCLTVVXPHRW-UHFFFAOYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-071599
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c1(NC(=O)c2c(CC)noc2C)sc2c(CCCCCC2)c1C#N	ZINC22_13327694,CoCoCo_1073803,MCULE-1005654277,PC-id_17174132,TIMTEC166473,EMOLS-id_13331545	343.443	GFKWFMZYRRCOHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071601
c1(NC(=O)Cc2ccc(cc2)NC(=O)C)sc2c(CCCCC2)n1	EMOLS-id_334602111,MCULE-6003696824	343.443	CWUYYYYKOHZMKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071602
c1(NC(=O)CCC(=O)Nc2ccccc2)sc2c(CCCCC2)n1	MCULE-9543825852,EMOLS-id_334943959	343.443	OKSBFQNSGRFWCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071603
c1(NC(=O)Nc2ccccc2)sc2c(CCCCCC2)c1C(=O)N	ZINC22_371526,PC-id_841487,TIMTEC364737,CoCoCo_5831361,EMOLS-id_5405118,MCULE-1064502685	343.443	OSPSWDUHLMHHCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071604
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Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cc1)C(=O)N(C)C	EMOLS-id_319021058	343.443	ZULHNUZUOHGNPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071606
Cc1nc(COC2CN(Cc3ccco3)Cc3cccn3C2)cs1	EMOLS-id_50021090	343.443	VBCTUDGDHVARKT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-071607
Cc1nc(CO[C@@H]2CN(Cc3ccco3)Cc3cccn3C2)cs1	ZINC22_248058246	343.443	VBCTUDGDHVARKT-GOSISDBHSA-N	00000000101000000101000000000010000000000000000000000000	31-01-071608
Cc1sc2c(n1)CCCCN2C(=O)c1cn(C2CC2)c(cc1=O)C	EMOLS-id_319153087	343.443	MKHSMBPUGLGXRI-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-071610
CCC(=O)Nc1cccc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318933235	343.443	CMQJRWTYJZFKPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071611
CC(=O)Nc1cccc(c1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319194860	343.443	VYNKPAHAFPTHMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071612
CC(=O)Nc1ccccc1CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319233722	343.443	RSOOJCNPQKDOPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071613
CC(=O)Nc1ccc(cc1)CC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319573273	343.443	RKKBGNXFERYVEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071614
CC(=O)Nc1ccc(c(c1)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_318927845	343.443	YBOZGYDIBNETDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071615
CC(=O)NCc1ccc(cc1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_320200365,MCULE-6899866025	343.443	FSRYYJYXQKVYBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071616
CC(=O)NCc1ccc(cc1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_257853084,MCULE-2116946197	343.443	YOZIOLNTHJWQOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071617
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)Cc1ccccc1	ZINC22_96264791,EMOLS-id_44379416,PC-id_97524724	343.443	SAFZIZJDEYLMOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071618
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CNC(=O)C[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2cccn2C1	ZINC22_585099066	343.443	HLBJKTXXORIKDG-UZYOAWRESA-N	00000000100100000101000000000010000000000000000000000000	31-01-071623
N#Cc1c(NC(=O)CCNCc2ccco2)sc2c1CCCCC2	PC-id_9508050,CoCoCo_3690534,ZINC22_8394285,MCULE-3717422134	343.443	JLUACZOBDHRAGM-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-071624
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NC(=O)[C@H](c1ccccc1)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_4629862,PC-id_33478120	343.443	WRTVDAPEHFTMEA-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071626
NC(=O)[C@@H](c1ccccc1)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_33478122,CoCoCo_4629861	343.443	WRTVDAPEHFTMEA-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071627
O1C(Cc2c1cc(C[NH2+]Cc1n3CCCCCc3nn1)c(OC)c2)C	PC-id_75742732	343.443	GAFUIIPOIUNODH-UHFFFAOYSA-O	00000010100000100101000000001010000000000000000000000000	31-01-071628
O1[C@@H](Cc2c1cc(C[NH2+]Cc1n3CCCCCc3nn1)c(OC)c2)C	PC-id_51923166	343.443	GAFUIIPOIUNODH-CYBMUJFWSA-O	00000010100000100101000000001010000000000000000000000000	31-01-071629
CCCCNC(=O)N1CCCn2c(C1)c(nc2)CNS(=O)(=O)C	PC-id_97519526	343.445	HZJCJWMTPHITKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071651
O1[C@H](Cc2c1cc(C[NH2+]Cc1n3CCCCCc3nn1)c(OC)c2)C	PC-id_51923168	343.443	GAFUIIPOIUNODH-ZDUSSCGKSA-O	00000010100000100101000000001010000000000000000000000000	31-01-071630
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O=C(Cc1ccc(nc1)C)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_51119024,EMOLS-id_33354058,MCULE-6474625932	343.443	KPIRIYZRTLVLET-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-071633
O=C(/C=C/c1cccs1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_306143062	343.443	XSCJTCGGZXYBQR-JFDDCEBESA-N	00100000100100000101000000000010000000000000000000000000	31-01-071634
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O=C(N1CCCCc2c1sc(n2)C)CCc1ccc(cc1)C(=O)N	EMOLS-id_318981825	343.443	XOMLSVHRFANRSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071638
O=C(NC1C(O)Cc2c1cccc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_303268386	343.443	PBFAKUKAGZJSEN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071639
O=C(NCC1CC1)c1ccc2CCN(CCn12)C(=O)c1cccs1	ZINC22_585111022,EMOLS-id_313777600	343.443	RZMTUEZJLNJSNO-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-071640
O=C(NCC1CC1)c1ccc2CCN(CCn12)C(=O)c1ccsc1	ZINC22_585110966,EMOLS-id_313775041	343.443	JEBJDPMPHOFIDB-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-071641
O=C(N[C@H]1[C@@H](O)Cc2c1cccc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_97910063	343.443	PBFAKUKAGZJSEN-GOEBONIOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071642
O=C(N[C@@H]1[C@H](O)Cc2c1cccc2)Nc1nc2c(s1)CCCCC2	EMOLS-id_98002049	343.443	PBFAKUKAGZJSEN-ZBFHGGJFSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071643
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(nc(cc1)C)C	PC-id_60494192	343.443	GNOLUSLEXRCCCA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-071644
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1cccnc1	PC-id_24554086	343.443	VSFAIDNTWQPBGH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-071645
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1ccncc1	PC-id_52617837	343.443	LUSTZWYZPFNIOX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-071646
s1c2CCCCCc2nc1NC(=O)CNC(=O)c1c(cccc1)C	PC-id_45774199	343.443	WBNGVWKRXHRMPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071647
s1c2CCCCCCc2nc1NC(=O)c1ccc(NC(=O)C)cc1	PC-id_60571666	343.443	BSSVBCPWKWVIJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071648
s1c2CCCCCCc2nc1NC(=O)CNC(=O)c1ccccc1	PC-id_60571614	343.443	PUDWSCJTOSLMQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071649
Cc1ccc(s1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625616	343.445	GBBKIGPVUKBHQH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-071650
CC(C)(C)NC(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70758886,EMOLS-id_44442477,MCULE-2934582375,ZINC22_82127893	343.445	SYUNLPWCVNCTRE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071652
CCCCNC(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82106373,MCULE-2171222936,PC-id_70728605,EMOLS-id_44431849	343.445	FREXYORQAICICU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071653
CC(C)N(C)S(=O)(=O)NCc1cc2CN(CCCn2n1)C(=O)C	ZINC22_82107726,EMOLS-id_44433465,PC-id_70733061,MCULE-5668545107	343.445	INGFDSWJSMSVCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071654
CN(C)CCOCc1nnn2c1CN(S(=O)(=O)C1CC1)CCC2	ZINC22_96256051,PC-id_97517007,EMOLS-id_44369422	343.445	XPKTWDKTSIXQSF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071655
CN(C)S(=O)(=O)N(C)C1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-3153047410,EMOLS-id_168607917	343.445	MPTZOZSBVGYTJY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071656
CS(=O)(=O)N1CCCn2nnc(COCCN3CCCC3)c2C1	EMOLS-id_44369534,ZINC22_96258993,PC-id_97519083	343.445	OWAOZYHLJQCMAQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071657
s1c(/N=N/c2c3-c(c(cccc3C)C)cc2)nc(c2ccccc2)c1	PC-id_12104378	343.445	YYXDCBMLMADALH-WCWDXBQESA-N	00000010100000110111100000000010000000000000000000000000	31-01-071658
c1(c2cccs2)noc(CN(C)Cc2c3CCCCCc3[nH]n2)n1	CoCoCo_1360310,CoCoCo_1360309,EMOLS-id_23817655,MCULE-7053281361,PC-id_25287657,CoCoCo_1360307,CoCoCo_1360308,ZINC22_20999686	343.447	ITPVJYIUKXOYJN-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-071659
c1coc(c2nc(CNCCc3nnc4n3CCCCC4)cs2)c1	EMOLS-id_36324308,PC-id_53589655,ZINC22_67698028,MCULE-8790203662	343.447	WTAUJZLNXGEFJC-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-071660
Cc1nc2c(s1)N(CCCC2)C(=O)c1cncc(n1)N1CCCC1	EMOLS-id_318788068	343.447	KGPWCWTZIHDLGL-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-071661
CCc1c(C)sc2nc(Cc3nnc4n3CCCCC4)[nH]c(=O)c12	PC-id_51075590,MCULE-2670124306,ZINC22_55493138,EMOLS-id_31874610	343.447	JCFAIFIJIWLMFZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071662
CCOc1ccc2[nH]c(=NCc3nnc4n3CCCCC4)sc2c1	PC-id_146145452,ZINC22_1875286021	343.447	AKGUAUNJNMXGIH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071663
CN(Cc1cc(=O)n2ccsc2n1)Cc1n[nH]c2c1CCCCC2	PC-id_91832322,MCULE-3347906340,ZINC22_244716002,EMOLS-id_55629424	343.447	LGPQJKZYVOAENZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071664
CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cnn(C)c1	MCULE-8924841386,PC-id_136511712,EMOLS-id_313179656,ZINC22_81092053	343.447	BQTGVVAPRZYOCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071665
CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cc[nH]n1	EMOLS-id_36716786,MCULE-5478211424,ZINC22_69743462,PC-id_53602012	343.447	ANZYCPYGTYCIRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071666
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O=c1[nH]c2ccccc2n1CCCSc1nnc2n1CCCCC2	ZINC22_8185381,EMOLS-id_11781123,CoCoCo_3082046,MCULE-1683584022,PC-id_9319172	343.447	OAFZCZWGUCDFQQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071669
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s1c2CCCCCc2cc1C(=O)NCCCc1[nH]nc(N)c1C#N	PC-id_9291308	343.447	QIKRSIJLNAYYHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071672
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Cc1nc(C)n(CC2CN(Cc3nccs3)Cc3nccn3C2)n1	CHEMBL3554106,EMOLS-id_44326545,PC-id_118743182	343.45	CJZYFFRGOATADR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071674
Cc1nc(C)n(C[C@@H]2CN(Cc3nccs3)Cc3nccn3C2)n1	PC-id_97463136,ZINC22_96188703	343.45	CJZYFFRGOATADR-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071675
Cc1nc(C)n(C[C@H]2CN(Cc3nccs3)Cc3nccn3C2)n1	ZINC22_96188702,PC-id_97463135	343.45	CJZYFFRGOATADR-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071676
S(c1n2CCCCCc2nn1)c1nc(nc2c1n(nc2C)C)CC	PC-id_52169388	343.45	SVJGHSNTDSKOBY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071677
s1c2c(CCCCC2)cc1C(=O)NC1CC[NH+](CC1)CC(F)F	PC-id_52537857	343.455	IEZHUGWHDXZGRT-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-071678
FC1CCC(C1)CS(=O)(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_320144883,MCULE-9905927442	343.46	DASOMPNINHKAJZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071679
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s1c2c(CCCCC2)c(c1NC(=O)CSCCO)C(=O)OC	PC-id_8306249	343.462	KBAUHDNAJQHBJE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071684
c12CN(CCCn1nc(CCC(=O)O)c2)CC1=CC[C@@H]2C(C)(C)[C@H]1C2	MCULE-5801077321,PC-id_56886324,ZINC22_72435470,EMOLS-id_43074527	343.463	YFZZSLCUQJLPHU-YJBOKZPZSA-N	00001000100011000101001000000010000000000000000000000000	31-01-071685
CC1(C)[C@@H]2CC=C(CN3CCCn4nc(CCC(=O)O)cc4C3)[C@H]1C2	CHEMBL4579607	343.463	YFZZSLCUQJLPHU-CRAIPNDOSA-N	00001000100011000101001000000010000000000000000000000000	31-01-071686
Cc1noc(C)c1CN1Cc2cccn2C[C@H](CCOCC2CC2)C1	ZINC22_585095023	343.463	AEJNCPQKKQAYTC-GOSISDBHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071687
Cc1noc(C)c1CN1Cc2cccn2C[C@@H](CCOCC2CC2)C1	ZINC22_585095024	343.463	AEJNCPQKKQAYTC-SFHVURJKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071688
Cc1noc(C)c1CN1CC(CCOCC2CC2)Cn2cccc2C1	EMOLS-id_313749172	343.463	AEJNCPQKKQAYTC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071689
CC(C)Cc1ccc(CN2CCCn3nc(cc3C2)C(O)CO)cc1	EMOLS-id_50534111,PC-id_90649584,MCULE-8423154470	343.463	LREZRGNZYFLIEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071690
CC(C)Cc1ccc(CN2CCCn3nc([C@H](O)CO)cc3C2)cc1	PC-id_100048653,ZINC22_219853868	343.463	LREZRGNZYFLIEZ-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071691
CC(C)Cc1ccc(CN2CCCn3nc([C@@H](O)CO)cc3C2)cc1	ZINC22_219853813,PC-id_100048652	343.463	LREZRGNZYFLIEZ-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071692
CC[C@H](c1nn2c(c1)CN(CCC2)CCCOCc1ccccc1)O	PC-id_100017689	343.463	IEPURKDFEUUNBG-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071693
CC[C@@H](c1nn2c(c1)CN(CCC2)CCCOCc1ccccc1)O	PC-id_100017691	343.463	IEPURKDFEUUNBG-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071694
CCC(O)c1cc2CN(CCCOCc3ccccc3)CCCn2n1	PC-id_91763296,EMOLS-id_55612045,MCULE-3893087998	343.463	IEPURKDFEUUNBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071695
COc1ccc(C(C)(C)CN2CCCc3c(cnn3C)C2)cc1OC	EMOLS-id_317026573,ZINC22_1616034944,MCULE-4754286554,PC-id_136571504	343.463	WWCBPLUFUJDMAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071696
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c12CN(CC)CCCn1nc(CN(C)Cc1c3CCCCc3on1)c2	PC-id_56915439,EMOLS-id_43175451,ZINC22_72169756,MCULE-3729918316	343.466	RRLYGXFDBKUBGJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071718
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Cc1cccc(CN2Cc3ccnn3C[C@@H](COCCN(C)C)C2)n1	ZINC22_96188973,PC-id_97463392	343.466	GRYTXTMKFQYFOI-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071722
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Cc1cc(CN2Cc3ccnn3C[C@H](OCC3CCCC3)C2)n(C)n1	ZINC22_306128590	343.466	HFQGDVXAMZTMIL-LJQANCHMSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071724
Cc1cc(CN2CC(Cn3nccc3C2)OCC2CCCC2)n(C)n1	EMOLS-id_50020264	343.466	HFQGDVXAMZTMIL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071725
Cc1cc(C)n(CCCC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)n1	EMOLS-id_316957115,PC-id_136565592,MCULE-7725977319,ZINC22_826801050	343.466	KMQWXPAJRBPVNE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071726
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Cc1nc2c(s1)N(C(=O)Cc1nsc3ccccc13)CCCC2	EMOLS-id_319109757,ZINC22_1875296972	343.466	XAWCSGZOHNMTIT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071728
Cc1sc2c(n1)CCCCN2C(=O)c1nsc2c1cc(C)cc2	EMOLS-id_319941146,MCULE-8916938581	343.466	KHUXYBCBNNKJQW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071729
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CCN(CC)CCC1CN(Cc2ccnn2C1)C(=O)c1cccn1C	EMOLS-id_50371555	343.466	PIBMAABIFRMSDN-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-071739
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CCN(CC)CC[C@@H]1CN(C(=O)c2cccn2C)Cc2ccnn2C1	ZINC22_248138031	343.466	PIBMAABIFRMSDN-MRXNPFEDSA-N	00000000110000000101000000000010000000000000000000000000	31-01-071741
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CCNC(=NCc1nnc2n1CCCCC2)N(Cc1cccn1C)C	PC-id_109806474	343.47	OFFUKRHRJHRQHA-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-071756
CN1CCCn2c(C1)cc(n2)CN1CCN(CC1)CCn1cncc1	EMOLS-id_43093175,MCULE-2774746850,PC-id_56890869	343.47	LYRRGSWRPPTUDX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071757
CN1CCN(Cc2cnc3CCN(Cc4cnn(C)c4)CCn23)CC1	ZINC22_96196925,PC-id_97467069,EMOLS-id_44328779	343.47	UXRLRCSVNZZAGR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071758
CN=C(NCc1ccn(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_112075564	343.47	NGKABLCTTKTFAX-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-071759
CN=C(NCCn1cccc1)NCCCc1nnc2n1CCCCC2	PC-id_109530037	343.47	SLJGHEJJGRPLKD-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-071760
c1(C(=O)NCCc2ccc(cc2)OCC)csc2CCCCCc12	ChEMBL-DNDi_CHEMBLC760-1082,CoCoCo_2171622,MCULE-2663741737,PC-id_16010590,EMOLS-id_16062899	343.483	XSHPOZBZZBXDNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071761
CC(CCOc1ccc(cc1)C(=O)N1CCCCc2c1ccs2)C	SCHEMBL6991585,PC-id_54386957	343.483	VDXMTZJCKGRMCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071762
CCC(COc1ccc(cc1)C(=O)N1CCCCc2c1ccs2)C	SCHEMBL6991852,PC-id_54066495	343.483	MDJIXIXGYBOEIG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071763
COc1ccccc1[C@@H](C)N(C)C(=O)c1cc2c(s1)CCCCC2	PC-id_40028066,ZINC22_32796609,CoCoCo_4779850	343.483	GSEFFYWNCZKTHC-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071764
COc1ccccc1[C@H](C)N(C)C(=O)c1cc2c(s1)CCCCC2	PC-id_40028067,ZINC22_32796610,CoCoCo_4779849	343.483	GSEFFYWNCZKTHC-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071765
COc1ccccc1C(N(C(=O)c1cc2c(s1)CCCCC2)C)C	PC-id_42953397,MCULE-5859969975,EMOLS-id_44082912	343.483	GSEFFYWNCZKTHC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071766
OCCN(C(=O)c1cc2c(s1)CCCCC2)CCc1ccccc1	PC-id_86943461	343.483	QTXKNWBGVKHVNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071767
OCCN(C(=O)c1sc2c(c1)CCCCCC2)Cc1ccccc1	PC-id_113218701	343.483	NCTRWTAQRDNCJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071768
Cc1ccc(cc1)C(C(=O)NCCc1nc2c(s1)CCCCC2)N	EMOLS-id_320008283,MCULE-8576992600	343.486	LHDXUUHORAKXPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071769
Cc1cccnc1[C@H](NC(=O)N1CCCc2sccc2C1)C(C)C	ZINC22_170627518,PC-id_99808494	343.486	AVNNUNNEQYONMG-QGZVFWFLSA-N	00000000100000101100000000000010000000000000000000000000	31-01-071770
Cc1cccnc1[C@@H](NC(=O)N1CCCc2sccc2C1)C(C)C	ZINC22_170627520,PC-id_99808495	343.486	AVNNUNNEQYONMG-KRWDZBQOSA-N	00000000100000101100000000000010000000000000000000000000	31-01-071771
C=CCN(CCC(=O)Nc1sc2CCCCCc2c1C#N)CC=C	PC-id_78793370,EMOLS-id_337901100	343.486	DHLHRNJMTBIIHE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071772
O=C(c1sc2c(c1)CCCCCC2)Nc1ccnn1C(C1CC1)C	PC-id_112761445	343.486	FKSMJKGXTSHLPL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071773
O=C(N1CCCc2c(C1)ccs2)NC(c1ncccc1C)C(C)C	EMOLS-id_50322382,MCULE-5677185752,PC-id_102557340	343.486	AVNNUNNEQYONMG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-071774
P(=Nc1cc2-c(c1)ccccc2)(CCCC)(CCCC)CCCC	PC-id_85691385	343.486	GAHKEOSUEXEPAY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071775
s1c2c(CCCCCC2)cc1C(=O)N1C(CC(n2nccc12)C)C	PC-id_75894917	343.486	HLHWBHICXQPAHN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071776
s1c2c(CCCCCC2)cc1C(=O)N1[C@H](C[C@H](n2nccc12)C)C	PC-id_52658967	343.486	HLHWBHICXQPAHN-UONOGXRCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071777
s1c2c(CCCCCC2)cc1C(=O)N1[C@H](C[C@@H](n2nccc12)C)C	PC-id_52658968	343.486	HLHWBHICXQPAHN-KBPBESRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071778
s1c2c(CCCCCC2)cc1C(=O)N1[C@@H](C[C@H](n2nccc12)C)C	PC-id_52658969	343.486	HLHWBHICXQPAHN-ZIAGYGMSSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071779
s1c2c(CCCCCC2)cc1C(=O)N1[C@@H](C[C@@H](n2nccc12)C)C	PC-id_52658970	343.486	HLHWBHICXQPAHN-KGLIPLIRSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071780
s1c2CCCCCCc2nc1NC(=O)CN(Cc1ccccc1)C	PC-id_56175556	343.486	IHOOFQHPVJFRMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071781
S(c1n2CCCCCc2nn1)C(C(=O)c1c(cc(c(c1)C)C)C)C	PC-id_24371213	343.486	HWCARAZLYACXAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071782
S(c1n2CCCCCc2nn1)CC(=O)c1c(c(c(cc1C)C)C)C	PC-id_7876839	343.486	CFQPSPFLEGHVGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071783
S(c1n2CCCCCc2nn1)CC(=O)c1c(c(c(c(c1)C)C)C)C	PC-id_7876852	343.486	XJOISHFWEXJJOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071784
S(c1n2CCCCCc2nn1)CC(=O)c1ccc(C(C)(C)C)cc1	PC-id_7876695	343.486	OLZOVWFGPMJLFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071785
S(c1n2CCCCCc2nn1)[C@@H](C(=O)c1c(cc(c(c1)C)C)C)C	PC-id_7877096	343.486	HWCARAZLYACXAP-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071786
S(c1n2CCCCCc2nn1)[C@H](C(=O)c1c(cc(c(c1)C)C)C)C	PC-id_7877098	343.486	HWCARAZLYACXAP-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071787
Cc1nc(c(s1)S(=O)(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_99820945	343.488	YTCFSCLYIWXEEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071788
CCCN(S(=O)(=O)N[C@H](c1nnc2n1CCCCC2)C)CCC	PC-id_94024912	343.488	FPANGNYYDWUBHP-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071789
CCCN(S(=O)(=O)N[C@@H](c1nnc2n1CCCCC2)C)CCC	PC-id_94024913	343.488	FPANGNYYDWUBHP-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071790
S1C(C[NH+](CC1)Cn1nc2n(CCCCC2)c1=S)C(=O)OC	PC-id_84958736	343.488	ZFCQQRHFCRGCTJ-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-071791
S1[C@@H](C[NH+](CC1)Cn1nc2n(CCCCC2)c1=S)C(=O)OC	PC-id_9233076	343.488	ZFCQQRHFCRGCTJ-NSHDSACASA-O	00000000100010000101000000000010000000000000000000000000	31-01-071792
S1[C@H](C[NH+](CC1)Cn1nc2n(CCCCC2)c1=S)C(=O)OC	PC-id_9233080	343.488	ZFCQQRHFCRGCTJ-LLVKDONJSA-O	00000000100010000101000000000010000000000000000000000000	31-01-071793
S(=O)(=O)(NC(c1n2CCCCCc2nn1)C)N(CCC)CCC	PC-id_45821875	343.488	FPANGNYYDWUBHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071794
S(=O)(=O)(NC(c1n2CCN(CCc2nn1)CC(C)C)C(C)C)C	PC-id_45167514	343.488	YASXEZNOHYUEJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071795
Cc1cccc(NC(=S)N[C@H](C)c2nnc3n2CCCCC3)c1C	CoCoCo_4694920,ZINC22_25043085,PC-id_32352824	343.49	BLARYNGRUXQJNC-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071796
Cc1cccc(NC(=S)N[C@@H](C)c2nnc3n2CCCCC3)c1C	PC-id_32352832,ZINC22_25043092,CoCoCo_4694919	343.49	BLARYNGRUXQJNC-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071797
S=c1n2CCCCCc2nn1CN1CCN(CC1)c1ccccc1	PC-id_31581228	343.49	HPSVIPIFWBYGKR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-071798
S=C(NC(c1n2CCCCCc2nn1)C)Nc1cc(c(cc1)C)C	MCULE-7473734758,PC-id_45807368,EMOLS-id_257849317	343.49	FJGOGOYWGVYRNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071799
S=C(NC(c1n2CCCCCc2nn1)C)Nc1c(c(ccc1)C)C	PC-id_42945462,EMOLS-id_17207013,MCULE-7915572663	343.49	BLARYNGRUXQJNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071800
S=C(N[C@H](c1nnc2n1CCCCC2)C)Nc1ccc(c(c1)C)C	CoCoCo_4694915	343.49	FJGOGOYWGVYRNV-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071801
S=C(N[C@@H](c1nnc2n1CCCCC2)C)Nc1ccc(c(c1)C)C	CoCoCo_4694916	343.49	FJGOGOYWGVYRNV-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071802
CC(c1ccc(c2-c(c1)c(C)cc2/C=C/c1ccc(cc1)N(C)C)C)C	PC-id_102392523	343.504	XZNJZYIZVOEZMM-XYOKQWHBSA-N	00000010100000110110000000000010000000000000000000000000	31-01-071803
c1(c2CCCCCc2[nH]n1)C(=O)N(C1CCCCC1)C1CCCCC1	MCULE-7232040242,EMOLS-id_334818068	343.506	MPFXHFRJEXIRCG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-071804
c1(C(O)C2CC2)cc2n(CCCN(CC=C(C)CC/C=C(/C)C)C2)n1	MCULE-5969527811,PC-id_90648470	343.506	RBEWMZCBLKEWJC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071805
CC(=CCC/C(=C/CN1CCCn2nc(cc2C1)C(O)C1CC1)/C)C	EMOLS-id_50529949	343.506	RBEWMZCBLKEWJC-LICLKQGHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071806
CC(=CCC/C(=C/CN1CCCn2nc([C@@H](O)C3CC3)cc2C1)/C)C	PC-id_100032006,ZINC22_219017944	343.506	RBEWMZCBLKEWJC-KRWRZEAGSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071807
CC(=CCC/C(=C/CN1CCCn2nc([C@H](O)C3CC3)cc2C1)/C)C	PC-id_100032007,ZINC22_219018016	343.506	RBEWMZCBLKEWJC-AKCCUMBPSA-N	00100000100000000101000000000010000000000000000000000000	31-01-071808
s1c2CCCCCc2cc1C(=O)NCc1ccc(C[NH+](C)C)cc1	PC-id_9537348	343.506	BYHGFYMANPSEED-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-071809
s1c2CCCCCc2cc1C(=O)NCc1c(C[NH+](C)C)cccc1	PC-id_8140098	343.506	XHLIMXRMQHUDPV-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-071810
s1c2CCCCCc2cc1C(=O)NC(C[NH+](C)C)c1ccccc1	PC-id_84876533	343.506	MYKGHUQSCIFTDG-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-071811
s1c2CCCCCc2cc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1	PC-id_8936972	343.506	MYKGHUQSCIFTDG-KRWDZBQOSA-O	00000000100000110100000000000010000000000000000000000000	31-01-071812
s1c2CCCCCc2cc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1	PC-id_8936976	343.506	MYKGHUQSCIFTDG-QGZVFWFLSA-O	00000000100000110100000000000010000000000000000000000000	31-01-071813
Cc1ccc(cc1)S(=O)(=O)n1cc2c(c1)CSSSC2	PC-id_139974761	343.508	COBRANPIVKWOQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071814
CC(C)(C)[S@@](=O)CCNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_97215686,ZINC22_95400062	343.508	KNTOHVGLKCUIHF-QFIPXVFZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071815
CC(C)(C)[S@](=O)CCNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_97215687,ZINC22_95400063	343.508	KNTOHVGLKCUIHF-JOCHJYFZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071816
O=C(Nc1nc2c(s1)CCCCC2)NCCS(=O)C(C)(C)C	EMOLS-id_49038623,MCULE-1192301794,PC-id_84584471	343.508	KNTOHVGLKCUIHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071817
S1SSSSc2c(n(c(c12)C)Cc1ccccc1)C	PC-id_11580978	343.574	GBSVNKVJZMBHTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071818
Cc1ccc(cc2-c1c(cc2C)C(=O)C(Cl)(Cl)Cl)C(C)C	PC-id_10947907,SCHEMBL1452565	343.675	FDFXISBWQCOSIG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071819
ClC(Cl)(Cl)C(=O)c1c2-c(c(c1)CC)cccc(C(C)C)c2	PC-id_86252817	343.675	BVTXXKASQGYRAA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071820
c12n(CC(=C)C)cnc1c(=O)[nH]c(Nc1ccc(cc1)Cl)nc2=O	CoCoCo_1123353,MCULE-8779404604,PC-id_28070651,EMOLS-id_23806004,ZINC22_19111859	343.768	WCXZGMVLQPYGRW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-071821
Clc1c(/C=C(/c2n3CCCCCc3nn2)C#N)cc([N+](=O)[O-])cc1	PC-id_27115465	343.768	OLUUGMWZUVZBBE-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071822
Clc1c(C=C(c2n3CCCCCc3nn2)C#N)cc([N+](=O)[O-])cc1	PC-id_74519854	343.768	OLUUGMWZUVZBBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071823
Clc1c([N+](=O)[O-])cc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_4121578,MCULE-3037918982,EMOLS-id_300266308	343.768	WDZMMBCYFJOCMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071824
Clc1c([N+](=O)[O-])cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_6015097,CoCoCo_3456359	343.768	WDZMMBCYFJOCMI-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071825
Clc1c([N+](=O)[O-])cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1	PC-id_75460349,CoCoCo_3456360	343.768	WDZMMBCYFJOCMI-WQLSENKSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071826
Fc1ccc(cc1Cl)CS(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99299314	343.801	GJFBBGDHCRRDPJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071827
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(c(c1)F)Cl	MCULE-5087981972,EMOLS-id_319923272	343.804	RMUDNHFUQCBUSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071828
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(cc1F)Cl	MCULE-6233006216,EMOLS-id_320083144	343.804	YLLLOSRUCLRKDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071829
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cc(F)ccc1Cl	EMOLS-id_318918713	343.804	ADPFNLMHTCYOFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071830
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cc(F)cc(c1)Cl	EMOLS-id_320183150,MCULE-2285493194	343.804	ZNMUUQAYVFHBOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071831
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1c(F)cccc1Cl	EMOLS-id_318831270	343.804	NDOBWYIIUOZSEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071832
Clc1ccc(c(c1)F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946036	343.804	JVKWGCDQYLYPOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071833
Clc1cccc(c1F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948367	343.804	JNLRRXKGQIIAHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071834
Clc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101950962	343.804	NCSZAQRZKAVNBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071835
Fc1ccc(c(c1)Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946051	343.804	BIIPFMWPXIHJIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071836
Fc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101948463	343.804	XDYUYCMYUFMFLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071837
Fc1cc(Cl)cc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948679	343.804	AAEOQGUQCDRCKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071838
O=S(=O)(Cc1nnc2n1CCCCC2)c1ccc(F)c(Cl)c1	ZINC22_378055184,EMOLS-id_99105241,MCULE-8245981048	343.804	GRRRPRYPUYMFKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071839
Clc1ccc2c(c1)c(C)c(o2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101668285	343.807	PUHWBMXSDHJIFC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071840
Clc1ccc(c2noc(CCN3CCCc4occc4C3)n2)cc1	MCULE-7721030341,ZINC22_585083929,EMOLS-id_177257113	343.807	ICFUSKRZFFKIEN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-071841
Clc1cccc(c1)c1nnc(o1)C(N1CCCc2c(C1)cco2)C	EMOLS-id_99341935	343.807	FAZRDESAFALRTG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-071842
N#Cc1ccc(cc1Cl)NC(=O)C(N1CCCc2c(C1)cco2)C	MCULE-3020237472,EMOLS-id_99341932	343.807	APESZUKVGRCJOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071843
CC1CN(Cc2nnc(o2)c2ccc(cc2)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319387440	343.811	SDJRHYZCLIDRGX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-071844
CC1CN(Cc2nnc(o2)c2cccc(c2)Cl)Cc2c(C1)[nH]nc2	MCULE-2961291270,EMOLS-id_319866777	343.811	AKMZKKRZDYIFMX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-071845
CC1CN(Cc2onc(n2)c2ccc(cc2)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319441569	343.811	LTHBORKLRVMNKE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-071846
Clc1ccc2c(c1C(=O)N1Cc3cn[nH]c3CC(C1)(C)C)[nH]nc2	MCULE-5999982731,EMOLS-id_320006425	343.811	CNRPHVWHXATBCV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071847
Clc1ccc2n(c1)c(NC(=O)c1n[nH]c3c1CCCCC3)c(n2)C	EMOLS-id_319784259	343.811	YUTDOUYVZVMYAR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071848
N#Cc1ccc(cc1Cl)NC(=O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318873983	343.811	QNUFNNIHDFXAJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071849
N#Cc1ccc(cc1NC(=O)CN1CC(C)Cc2c(C1)cn[nH]2)Cl	EMOLS-id_319966225,MCULE-4097976912	343.811	YVEWJRAIDHSQJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071850
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)Cc1ccccc1Cl	EMOLS-id_319094604	343.85	RPAIEPTVKXSHCN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-071851
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)Cc1cccc(c1)Cl	EMOLS-id_319267110	343.85	QVALHYQVVGNCGX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-071852
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CC1)Cc1ccc(cc1)Cl	MCULE-4001908089,EMOLS-id_320163182	343.85	OOZAPKNTNYUUBE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-071853
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCC1)c1ccccc1Cl	EMOLS-id_319118452	343.85	NHUQNUUGHWSNOV-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-071854
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1(CCC1)c1cccc(c1)Cl	EMOLS-id_319526733	343.85	RPMOOBGYIIHRSF-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-071855
O=S1(=O)CCc2nnc(CSc3ccc(Cl)cc3)n2CC1	PC-id_145879717,ZINC22_630950484,EMOLS-id_316950858,MCULE-6272766004	343.852	CJWWFRKBKXDWNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071856
Clc1ccc(cc1)C1=CCC(CC1)NC1CCn2c(CC1)nnn2	MCULE-9430280364,EMOLS-id_318067115	343.854	SOTMZDNGVXNQGH-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-071857
c1(NC(=O)CCCCl)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4185423,MCULE-3850391900,EMOLS-id_50025876	343.869	OSYBFDOONFVIOP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071858
ClCCCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_4086448	343.869	RUZUSSDYRSOFII-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071859
ClCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC(C)C	PC-id_4047067	343.869	PDRMULVJHKNOLQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071860
ClCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCCC	PC-id_4183618	343.869	HBBYWMQNZHTAEJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071861
ClCCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_4160014	343.869	QYYLQCVRWKDKJW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071862
Clc1ccc(C2C(CCCC2)Cn2nc3c(c2)CCNCC3)cc1	PC-id_24872909	343.894	LBMLZCMFZUVKPR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-071863
Clc1ccc(s1)C[N@H+](Cn1nc2n(c1=S)CCCCC2)C	GD-id_ZINC08040082,PC-id_9171782	343.918	JLUPMFBUGWGLNK-UHFFFAOYSA-O	00000000100100000101000000000010000000000000000000000000	31-01-071864
Brc1c2-c(c(Br)c1)cccc(OC(=O)C)c2	PC-id_23261467	343.999	ZQNOELWNUWLOIX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071865
Brc1c2-c(c(Br)c1C(=O)OC)ccccc2	PC-id_86099074	343.999	FCHMLGRQLRUKAX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071866
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=CCNS2=O	PC-id_154682334	344.074	AESYQLAPTRJZHR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-071867
C=CCC1CCc2c(c(cs2)Br)C(=N1)[As]	PC-id_88265831	344.102	XDANQHQUSQUZSL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-071868
C1COCCN2C1=NN=C2CNC(=O)NC3=NSC4=CC=CC=C43	PC-id_164632519,EMOLS-id_320319942,ZINC22_1615588688,MCULE-6414376453	344.106	CVTQURSQXPOWJY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071869
CC1=C2C(=C(N1)C(=O)NC3=C(C=CC(=C3)S)OC)CCCCC2=O	PC-id_154950568	344.119	ZJPZPUFIPOIDEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071870
CN(C)C=C1CCCC2=C(C1=O)N(C=C2)S(=O)(=O)C3=CC=CC=C3	PC-id_154499322	344.119	USQHOHUZBACIRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071871
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=C(N=N3)C(=O)O)C2)C	PC-id_160148115	344.148	PAELYKIAYVVCNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071872
CN1C2=C(C=N1)N(CCCC2)C(=O)ONC(=O)OCC3=CC=CC=C3	PC-id_155145681	344.148	XXGHUGQODDLKDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071873
CN1C2=C(C=N1)N(CC(CC2)NC(=O)OCC3=CC=CC=C3)C(=O)O	PC-id_155146104	344.148	XFJJHQSOBCVSJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071874
CN1C2=C(C=N1)N(C[C@H](CC2)NC(=O)OCC3=CC=CC=C3)C(=O)O	PC-id_155146103	344.148	XFJJHQSOBCVSJE-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071875
CN1C2=C(C(=N1)NC(=O)OCC3=CC=CC=C3)N(CCCC2)C(=O)O	PC-id_155145683	344.148	VIDUIMVAVCFXOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071876
CN1C=C2C(=N1)CCC(CN2C(=O)O)NC(=O)OCC3=CC=CC=C3	PC-id_155145775	344.148	WJVMJRKOWJXHDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071877
BrCC(CNC(=O)c1cc2c(s1)CCCCC2)(C)C	PC-id_113294976	344.31	PFWDTPYPZVRQRZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071900
CN1C=C2C(=N1)CC[C@@H](CN2C(=O)O)NC(=O)OCC3=CC=CC=C3	PC-id_155145772	344.148	WJVMJRKOWJXHDF-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071878
Brc1c(=O)c2ocnc2cc(/N=N/c2ccc(cc2)C)c1	PC-id_14042915	344.163	QNHDPOMBTWSOSF-VHEBQXMUSA-N	00000000100000110111000000000010000000000000000000000000	31-01-071879
O=C(c1cc(Cl)c(cc1Cl)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102176444	344.172	HHQHPURHIIMZEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071880
O=C(c1cc(F)c(cc1Cl)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102168118	344.172	RQCINPKJUITUFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071881
BrC(C(F)(F)F)CSc1nnc2n1CCCCC2	EMOLS-id_315343877,PC-id_64757718	344.195	FTDVMFDONREMJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071882
Brc1ccc(NCn2nc(c3c2c(=O)cccc3)C)cc1	PC-id_10066062	344.206	XEESJLAMAYOZBY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-071883
Brc1c(NCn2nc(c3c2c(=O)cccc3)C)cccc1	PC-id_10020360	344.206	GFRWOKNTCCDDRI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-071884
OC(=O)C1CCC(F)(F)c2nc(NC(=O)C(F)(F)F)sc2C1	EMOLS-id_331241045	344.258	HONXNTUZWSRHFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071885
CNc1nc(Sc2nnc3n2CCCCC3)c(cc1Cl)Cl	PC-id_102761234	344.263	OPHUCGGEPGFYBB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071886
c12ccsc1SCCN(Cc1ccc(cc1Cl)Cl)C2=O	EMOLS-id_4913961,ChEMBL-DNDi_CHEMBL1350165,ZINC22_1402074,PC-id_1487599,CHEMBL1350165,MCULE-7083104891	344.279	SEOPOSSXKAUCKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071887
c12ccsc1SCCN(Cc1c(cccc1Cl)Cl)C2=O	MCULE-4839468145,EMOLS-id_4919108,ChEMBL-DNDi_CHEMBL1346665,CHEMBL1346665,ZINC22_1403649,BindingDB-id_83198,BindingDB_PC-id_1488896,PC-id_1488896	344.279	DLZZXXGQJCWOAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071888
c12ccsc1SCCN(Cc1ccc(c(Cl)c1)Cl)C2=O	PC-id_1488895,MCULE-1276761090,ZINC22_1403648,EMOLS-id_27503858	344.279	AKNFDVBRSTZHMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071889
OC(=O)c1ccc2-c(cc1)c(cc2)C(=O)c1ccc(cc1)C(F)(F)F	PC-id_145984397	344.284	AIHVJYFGVPIWAT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-071890
Cc1cc(nn1CC(=O)N1CCc2n[nH]c(=O)n2CC1)C(F)(F)F	PC-id_91922361	344.292	FUOSHRUJOVLCQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071891
Brc1ccc(s1)CSc1nnc2n1CCCCC2	PC-id_61729911,EMOLS-id_314512853	344.294	CUDWTYOJKSHIGK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-071892
Brc1cc(CSc2nnc3n2CCCCC3)cs1	MCULE-1814454086,ZINC22_84338601,EMOLS-id_44531933,PC-id_71894607	344.294	JJKVHAPWLJPOFI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-071893
Brc1cc(sc1)CSc1n2CCCCCc2nn1	EMOLS-id_314560227,PC-id_61743017	344.294	XLQWEUZGQCAEKC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-071894
Brc1ccsc1CSc1nnc2n1CCCCC2	PC-id_48214359,EMOLS-id_314878677	344.294	RTQJNHINHAHSMW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-071895
BrCCCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_107321740	344.31	JYYLNXSMXPXAGT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071896
BrCC(C(C)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_114316093	344.31	GQDXZZYETRQORJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071897
BrCCCC(NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_113276054	344.31	BYVKKZAYMWPMAW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071898
BrCCC(CNC(=O)c1cc2c(s1)CCCCC2)C	PC-id_114316764	344.31	LNKUNRZYZUWQBD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071899
BrCCCN(C(=O)c1cc2c(s1)CCCCC2)CC	PC-id_113469164	344.31	MQLABERJKPMVON-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071901
BrCC(C(NC(=O)c1cc2c(s1)CCCCC2)C)C	PC-id_116187228	344.31	AHJMERMBOQFQGF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071902
BrCCC(NC(=O)c1cc2c(s1)CCCCC2)CC	PC-id_116270128	344.31	PYDCPOLRFKFYIU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071903
BrCCC(NC(=O)c1cc2c(s1)CCCCC2)(C)C	PC-id_116345427	344.31	MIPDSIFAGXXBOD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071904
BrCCN(C(C)C)C(=O)c1sc2c(CCCCC2)c1	PC-id_80666207	344.31	RNMLINDQMBHQGL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071905
BrCC(N(C(=O)c1cc2c(s1)CCCCC2)C)(C)C	PC-id_116122425	344.31	HPMQJOCMFXRDBA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071906
BrCCN(C(=O)c1sc2CCCCCc2c1)CCC	PC-id_80665444	344.31	UVRLBPZNZSLTRO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071907
CC(CCCNC(=O)c1cc2c(s1)CCCCC2)Br	PC-id_114147538	344.31	ZWKHIBJOPLOQRI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071908
CCCC(CNC(=O)c1cc2c(s1)CCCCC2)Br	PC-id_116270911	344.31	DOYYMBXGJCFQPB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071909
CCC(CCNC(=O)c1cc2c(s1)CCCCC2)Br	PC-id_116283817	344.31	RZEYDLMRJPOIIQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071910
CC(C(CNC(=O)c1cc2c(s1)CCCCC2)Br)C	PC-id_116245972	344.31	MRLWUYQHEPASAH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071911
CC(CC(NC(=O)c1cc2c(s1)CCCCC2)C)Br	PC-id_104110873	344.31	WUKVTVJDELTSGK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071912
CC(CCN(C(=O)c1cc2c(s1)CCCCC2)C)Br	PC-id_116298315	344.31	MVKYNVYZBPNEEX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071913
CCC(NC(=O)c1cc2c(s1)CCCCC2)(CBr)C	PC-id_113275582	344.31	OMMOQOVBYXDTST-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071914
O=C(c1cc2c(s1)CCCCC2)NC(C(Br)C)(C)C	PC-id_113508820	344.31	BTVWKVGWDZFBGS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-071915
BrCC1(CCCC1)CSc1n2CCCCCc2nn1	PC-id_65001147	344.314	YIYUFRHTNAMSOO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071916
c1(C(=O)O)cc2n(CCCN(C2)C(=O)Nc2ccc3c(OCO3)c2)n1	MCULE-6876388598,EMOLS-id_32386450,PC-id_50957783,ZINC22_65388190	344.322	LRNWPIUQDCUMGO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071917
O=c1n(c2NC(=O)C(NC(=O)c2[nH]1)C(=O)OCC)Cc1ccccc1	PC-id_10450167	344.322	IZHHVRFJBINADC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071918
O(C1(NC(=O)c2ncn(c2NC1=O)Cc1ccccc1)C(=O)OC)C	PC-id_10246880	344.322	ZERKUJSUMKRXBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071919
COC(=O)c1cnc(cn1)C(=O)N1CCc2nc(cn2CC1)C(=O)N	EMOLS-id_331139341,ZINC22_1875240892	344.325	KBKBZJRFCBFULU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071920
O=C(c1cc(F)c(c(c1F)F)F)Nc1nc2c(s1)CCCCC2	PC-id_112807856	344.327	XCJQVAQGJNHIEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071921
C1CCC(C1)N(CC(F)(F)F)C(=O)c1coc2c1C(=O)NCCC2	MCULE-6681756812,PC-id_136570021,EMOLS-id_317333535	344.329	VKJWESHNZMDWNJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-071922
CCN1CCn2c(C(C(=C1)C(=O)OC)C)ccc2C(=O)C(F)(F)F	PC-id_142757276	344.329	VLTLCZDACOHASN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-071923
CN(C(=O)c1coc2c1C(=O)NCC(C)(C)C2)C1(C(F)(F)F)CC1	ZINC22_906214313,PC-id_136570630,MCULE-9171526563,EMOLS-id_316981759	344.329	JWRZAWTURUKPLF-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-071924
O=C(NC1(C(F)(F)F)CCCCC1)c1coc2c1C(=O)NCCC2	MCULE-8675749791,PC-id_136561113,ZINC22_906660201,EMOLS-id_316996980	344.329	ODBLNHBUVJTUIZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-071925
Cc1c(cc(cc1)C(F)(F)F)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478309	344.33	PSHCOKBKKUXHKU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-071926
Cc1ccc(cc1/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C(F)(F)F	SCHEMBL13077149	344.33	PSHCOKBKKUXHKU-FSJBWODESA-N	00000010100000110110000000000010000000000000000000000000	31-01-071927
c1(cc2n(CCCN(C(=O)C)C2)n1)C(=O)N1CCCC1C(F)(F)F	MCULE-3869267422,PC-id_50963114,EMOLS-id_32396544	344.332	GSUWRMJKOOURIT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071928
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CC(=O)N(C1)CC(F)(F)F	EMOLS-id_318977988	344.332	USWRIZFKMBYRDU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071929
CC(=O)N1CCCn2nc(C(=O)N3CCC[C@@H]3C(F)(F)F)cc2C1	PC-id_95127301,ZINC22_65403867	344.332	GSUWRMJKOOURIT-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071930
CC(=O)N1CCCn2nc(C(=O)N3CCC[C@H]3C(F)(F)F)cc2C1	PC-id_95127303,ZINC22_65403870	344.332	GSUWRMJKOOURIT-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071931
NC(=O)[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@H]1C(F)(F)F	EMOLS-id_72962525,PC-id_120963615,ZINC22_299743919,MCULE-9115970395	344.332	MRDYHDREKBVMCS-NXEZZACHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071932
O=C(N1CCCc2c(C1)cnn2C)C1CC(=O)N(C1)CC(F)(F)F	EMOLS-id_101670034	344.332	HKGBTXDOBSUEPV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-071933
COc1cc(F)cc(c1S(=O)(=O)N1CCCn2c(C1)cnn2)F	EMOLS-id_316710141	344.337	CMTZYZASRBMEDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071934
FC(Oc1ccccc1S(=O)(=O)N1CCCn2c(C1)cnn2)F	EMOLS-id_316707838	344.337	QFNHPXUKLZJSHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071935
c12CN(CCCn1nc(C#N)c2)C(C(=O)O)c1cc(F)ccc1OC	EMOLS-id_232803921,PC-id_46997418,MCULE-2521755489	344.34	ZHCOEOOGLWYBSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071936
COc1ccc(F)cc1[C@@H](C(=O)O)N1CCCn2nc(C#N)cc2C1	ZINC22_63882178	344.34	ZHCOEOOGLWYBSE-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071937
COc1ccc(F)cc1[C@H](C(=O)O)N1CCCn2nc(C#N)cc2C1	ZINC22_63882180	344.34	ZHCOEOOGLWYBSE-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071938
Fc1c(c(CCCn2c3NC=NCC(=O)c3nc2)ccc1)C(=O)OC	PC-id_11791700	344.34	MSLRUSSLJFACJM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-071939
CN(C(=O)c1c(F)ccc2c1nc[nH]2)Cc1nnc2n1CCOCC2	EMOLS-id_319463994	344.344	CKVIXFVPTJUDTB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-071940
c12C(=O)NCCCc1nc(NC(=O)c1noc(c3ccco3)c1)s2	ZINC22_211128338,EMOLS-id_50139183,MCULE-9807565310,PC-id_72719961	344.345	NSUMDCMNOSWLNY-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-071941
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1sc(nc1C)C(F)(F)F	EMOLS-id_318878105	344.355	BUSGRBRIOUMQAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071942
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccn(n1)CC(F)(F)F	EMOLS-id_319346312	344.355	SSVVCSQVIJCFAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071943
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccnn1CC(F)(F)F	MCULE-7042714321,EMOLS-id_319886644	344.355	DRPJMRSLRKRQAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071944
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnn(c1)CC(F)(F)F	MCULE-3493576034,EMOLS-id_320129768	344.355	HZEKMGGAKKFGJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071945
Cc1nc2c(s1)N(CCCC2)C(=O)c1nn(c(c1)C(F)(F)F)C	EMOLS-id_319458287	344.355	DDKIBMBMTOFOGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071946
O=C(C1CCn2c(CC1)nnc2)NCc1csc(c1)C(F)(F)F	EMOLS-id_319362879	344.355	DWSHYLGHNAYVRA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-071947
O=C(c1ncn(c1)CC(F)(F)F)Nc1nc2c(s1)CCCCC2	EMOLS-id_319063323	344.355	LLFJEPVUSANRQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071948
O=C(c1[nH]ncc1C(F)(F)F)Nc1sc2c(n1)CCCCCC2	MCULE-8382613434,EMOLS-id_320070419	344.355	ULPVTNLZAVYVQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071949
O=C(N1CCCc2c(C1)cnn2C)Cc1scc(n1)C(F)(F)F	EMOLS-id_318916894	344.355	RRYPYCLQMALBQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071950
O=C(N1CCCCc2c1sc(n2)C)Cn1ccc(n1)C(F)(F)F	EMOLS-id_318778816	344.355	YTIKGTPFUNMZHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071951
s1c2CCCCCCc2cc1C(=O)Nc1nc([nH]n1)C(F)(F)F	PC-id_46548779	344.355	JAKFPTRWJWDNDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071952
CCOC(=O)c1c(CC(=O)OC)c(c2-c1ccccc2OCC)C=O	PC-id_102293864	344.358	NPMKBFZICXWIEH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071953
Fc1c(CCC(=O)C(c2n3CCCCCc3nn2)C#N)c(F)ccc1	MCULE-7004880762,EMOLS-id_32132225,PC-id_51099361	344.359	FCCVDGLQZGHVTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071954
N#CC1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(c1ccc(c(c1)F)F)O	PC-id_139572861,SCHEMBL21451558	344.359	DPFPKZWULZYJJH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-071955
N#C[C@H](C(=O)CCc1c(F)cccc1F)c1nnc2n1CCCCC2	ZINC22_58264288,PC-id_94809090	344.359	FCCVDGLQZGHVTK-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071956
N#C[C@@H](C(=O)CCc1c(F)cccc1F)c1nnc2n1CCCCC2	ZINC22_58264289,PC-id_94809091	344.359	FCCVDGLQZGHVTK-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071957
COC(=O)c1cc(C#Cc2ccc3-c2ccccc3)cc(c1)C(=O)OC	PC-id_102352218	344.36	YZHMDPVROIERRO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-071958
o1c(C(=O)c2c3-c(c(c2C)C(=O)OC)ccccc3)cc2c1cccc2	PC-id_11175330	344.36	QGEZXRGPGIFPEJ-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-071959
o1c(C(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)cc2c1ccc(c2)C	PC-id_10882473	344.36	HHGQMOPUCIPWBY-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-071960
o1c(C(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)cc2c1c(ccc2)C	PC-id_11035326	344.36	QCOZUTJNKFLSNN-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-071961
COc1ccc(cc1)C(C(=O)O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_72346550,PC-id_120530336,MCULE-8867525553	344.362	LBIDGXYDAKPJEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071962
COCc1cc(cc(c1)C(=O)O)NC(=O)c1noc2c1CCCCC2	PC-id_121857438,EMOLS-id_72301876,MCULE-8223536589	344.362	YXFNKGNJCALMNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071963
OC(=O)COc1ccc(c(c1)C)NC(=O)c1noc2c1CCCCC2	PC-id_120524817,MCULE-3000305489,EMOLS-id_57613837	344.362	YDVWGHFQLZUTQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071964
OC(=O)COc1cccc(c1)CNC(=O)c1noc2c1CCCCC2	PC-id_120527366	344.362	JKSBSVWKWMEKKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071965
OC(=O)COc1ccc(cc1)N(C(=O)c1noc2c1CCCCC2)C	MCULE-1750147078,EMOLS-id_72626485,PC-id_121958789	344.362	PBLUWSHODOSSFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071966
CCOC(=O)c1c2-c(ccccc2)c(c1O)C=Nc1ccc(cc1)C#N	PC-id_136814866	344.363	AYJOLFUTINAYHI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-071967
O=C(c1c2-c(n(c1=O)C)ccccc2)c1c2-c(n(c1=O)C)ccccc2	PC-id_12123911	344.363	NYSHWQOSUYWSQM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-071968
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1cccc(CO)n1	EMOLS-id_43121459,ZINC22_72429026,PC-id_70741650,MCULE-5338005291	344.365	ZPGANTSLVFXZPP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071969
c12CN(CCCn1nc(CO)c2)C(=O)c1ccc(cc1)OCC(=O)N	MCULE-5331972419,EMOLS-id_55656960,PC-id_91779031	344.365	DNFGBCABMUGRNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071970
c1(c(C)cc([nH]c1=O)C)C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	EMOLS-id_32386238,ZINC22_65387968,PC-id_50957669,MCULE-3836388841	344.365	NSJGUSPNARLOTN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-071971
CCc1cc2c(n1Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCCCC2	PC-id_102047844	344.365	LVMGYAPJNHDJFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-071972
Cn1cccc1C(=O)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	ZINC22_72420451,PC-id_56891911,EMOLS-id_43097335,MCULE-1997520036	344.365	CQSSWPHUAXJRQL-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-071973
COc1ccc(c(c1)C(=O)OC)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278126610	344.365	ODXKEZXYXSGFCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071974
COc1ccc(C(=O)O)cc1CCCn1cnc2c1NC=NCC2O	PC-id_10617406,BindingDB_PC-id_10617406,CHEMBL37559	344.365	WQJROGPLMNIBAW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-071975
COCc1nnc2CC(C)N(CCn12)C(=O)c1ccc2OCOc2c1	EMOLS-id_313823530	344.365	AMGVVOXEELDVCR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071976
COCc1nnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@H](C)C2	ZINC22_585096786	344.365	AMGVVOXEELDVCR-LLVKDONJSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071977
COCc1nnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)[C@@H](C)C2	ZINC22_585096787	344.365	AMGVVOXEELDVCR-NSHDSACASA-N	00000010100000100101000000001010000000000000000000000000	31-01-071978
COC(=O)c1ccccc1NC(=O)Cn1nc2CCCCCn2c1=O	ZINC22_12997094,SPECS-id_AT-687/NB01942,PC-id_25657744,EMOLS-id_18911382,CoCoCo_4406397,MCULE-2468246416	344.365	RKIXIEPNIZGVJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071979
COC(=O)c1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1	ZINC22_12798919,PC-id_17531314,EMOLS-id_16769019,MCULE-4394420181,CoCoCo_4406390	344.365	OJWHXXREGKKWCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071980
COC(=O)c1ccc(OC)c(CCn2cnc3c2NC=NCC3O)c1	CHEMBL287365,BindingDB_PC-id_10688802,PC-id_10688802	344.365	GARRQDACTXQNRE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-071981
COC(=O)c1c(NC(=O)N2CCCc3c(C2)cco3)nc2n1CCC2	EMOLS-id_319796584	344.365	DVGFRHSURPFONK-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-071982
n12CCCCCc1nn(CC(=O)NCc1ccc3c(OCO3)c1)c2=O	MCULE-8462342097,ZINC22_29106992,EMOLS-id_48461819,SPECS-id_AT-687/NB01961,PC-id_36281578	344.365	DASMYRKRGPSTIT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071983
Oc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@H]1NCCn2cc(C1)nc2	PC-id_100920497	344.365	FFFWNGQPSLOKBF-GJZGRUSLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071984
O=C(C1CCn2c(CC1)nnc2)NCCOc1ccc2c(c1)OCO2	EMOLS-id_319212907	344.365	VHXXASFLKLMMFJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071985
O=C(c1coc2c1C(=O)NCC(C2)(C)C)Nc1nn2c(c1)COCC2	MCULE-2214476697,EMOLS-id_320198313	344.365	AHRCPGJMBZSNGM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071986
O=C(N1CCCn2nc(cc2C1)C(=O)OC)C1C(=CC(=NC1=O)C)C	PC-id_75589980	344.365	MDEQNRJEBPXQMG-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-071987
O=c1n(Cc2ccccc2)cnc(=O)c2n(Cc3ccccc3)cnc12	PC-id_511380	344.367	UDPUVRFZHUZHET-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-071988
c1(cn2c(CCNCC2)n1)C(=O)N1CCn2c(cc(n2)C(=O)OC)C1	ZINC22_1857737346,MCULE-4399010188,EMOLS-id_330497606	344.368	IKWVFQVGPQUENU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071989
Cc1cc(nc(n1)CCNC(=O)c1nn2CC(CNC(=O)c2c1)O)C	PC-id_135098697	344.368	PBWLXTRLIRXONJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071990
Cc1nnc2n1C[C@H](C(=O)O)N(C(=O)c1cnc3n1CCCCC3)C2	ZINC22_621707143	344.368	NAHWXZPDKRUNKI-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071991
Cc1nnc2n1C[C@@H](C(=O)O)N(C(=O)c1cnc3n1CCCCC3)C2	ZINC22_621707144	344.368	NAHWXZPDKRUNKI-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-071992
Cc1noc(C)c1CCC(=O)N1CCc2nn(CC#N)c(=O)n2CC1	PC-id_91922554,MCULE-6425540754,EMOLS-id_50590161	344.368	IIPLPRAYDOLLLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-071993
CC(=O)NCC(=O)N1Cc2nccn2C[C@H](Cn2ncccc2=O)C1	ZINC22_96067164,PC-id_97389483	344.368	JGCRMLGLWVPWFM-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071994
CC(=O)NCC(=O)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1	ZINC22_96067165,PC-id_97389484	344.368	JGCRMLGLWVPWFM-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071995
CC(=O)NCC(=O)N1CC(Cn2ncccc2=O)Cn2ccnc2C1	EMOLS-id_46160793	344.368	JGCRMLGLWVPWFM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071996
CN(Cc1nnc2n1CCCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1	EMOLS-id_24151768,MCULE-9452276650,CoCoCo_4490609,PC-id_40111048,ZINC22_32876220	344.368	DVLJFSDZTQOMQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-071997
O=C(c1ncc(nc1)C(=O)O)NCCCc1nnc2n1CCCCC2	PC-id_120685795,MCULE-6233794678,EMOLS-id_72406138	344.368	SISNOMZCQUBZFY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-071998
O=C(Nc1ccc2c(c1)OC(O2)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102014278	344.368	VANQAUAZYSMBHI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-071999
O=C(Nc1[nH]nnc1C(=O)N1CCCC1)N1CCCc2occc2C1	ZINC22_1476722097	344.368	OXAKCSMGKTTYQY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072000
O=C(NCCc1n2CCCCCc2nn1)Nc1cc([N+](=O)[O-])ccc1	PC-id_16609031	344.368	QRNYRLNNZQLVFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072001
OC(=O)C1Cn2c(CN1C(=O)c1cnc3n1CCCCC3)nnc2C	MCULE-9738695306	344.368	NAHWXZPDKRUNKI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072002
c12nnnn1CCCCC2C(=O)N1CCn2c(CC1)nc(C(=O)N)c2	EMOLS-id_331152658,MCULE-8573021678	344.372	APFWJPCBRGNEAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072003
NC(=O)c1cn2c(n1)CCN(C(=O)[C@H]1CCCCn3nnnc13)CC2	ZINC22_1875246780	344.372	APFWJPCBRGNEAF-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-072004
NC(=O)c1cn2c(n1)CCN(C(=O)[C@@H]1CCCCn3nnnc13)CC2	ZINC22_1875246782	344.372	APFWJPCBRGNEAF-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072005
O=c1[nH]c(=O)c2c(n1C)nc(n2C)NCc1nnc2n1CCCCC2	EMOLS-id_100803998	344.372	YPQBXQQMTJTZLK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-072006
O=C(c1noc2c1CCCCC2)NCC1CCCC(C1)C(F)(F)F	EMOLS-id_100103622	344.372	FIZHZIDVHGBWKD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072007
C1CCc2ncc(n2CC1)C(=O)NCC1CCCN1CC(F)(F)F	EMOLS-id_316976061,PC-id_136565859,MCULE-8684113257	344.375	IFJYXOYCOHVEKS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072008
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCN(C1)CC(F)(F)F	MCULE-8394662702,EMOLS-id_319995018	344.375	CDOURQQIGQCMIN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072009
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCN(CC1)CC(F)(F)F	EMOLS-id_319660299	344.375	QHUVVTRUKLSFLA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072010
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CN(C(=O)C1CCn2c(CC1)nnc2)[C@@H]1CC[C@@H](CC1)C(F)(F)F	EMOLS-id_319646075	344.375	KRMGOXUQGGHPDJ-YHWZYXNKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072012
FC(F)(F)C1CC(CCC1)C(=O)NCc1n2CCCCCc2nn1	EMOLS-id_32000196,MCULE-2628563797,PC-id_45830391	344.375	AWNHXKDJTYWHOF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072013
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O=C(NCc1nnc2n1CCCCC2)[C@H]1CCC[C@@H](C(F)(F)F)C1	CoCoCo_4936272,PC-id_93621115,ZINC22_40549805	344.375	AWNHXKDJTYWHOF-NWDGAFQWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072018
O=C(NCc1nnc2n1CCCCC2)[C@@H]1CCC[C@H](C(F)(F)F)C1	CoCoCo_4936273,PC-id_93621112,ZINC22_40549796	344.375	AWNHXKDJTYWHOF-NEPJUHHUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072019
O=C(NCc1nnc2n1CCCCC2)[C@@H]1CCC[C@@H](C(F)(F)F)C1	PC-id_93621114,CoCoCo_4936271,ZINC22_40549802	344.375	AWNHXKDJTYWHOF-VXGBXAGGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072020
O=C(NC[C@H]1CCCN1CC(F)(F)F)c1cnc2n1CCCCC2	ZINC22_830932740	344.375	IFJYXOYCOHVEKS-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072021
O=C(NC[C@@H]1CCCN1CC(F)(F)F)c1cnc2n1CCCCC2	ZINC22_830932741	344.375	IFJYXOYCOHVEKS-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072022
Cc1ccc(CNC(=O)c2coc3c2C(=O)NCC(C)(C)C3)cc1F	MCULE-5622037391,EMOLS-id_316946501,PC-id_136556881,ZINC22_864655379	344.38	CUTQJVKJZYOJQD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072023
Fc1ccc(cc1)C1COCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_101550305	344.38	LTFIIYUWWRGTPR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-072024
Fc1ccc(cc1)C1OCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100924620	344.38	QOAHUGKMXSXWQQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-072025
Fc1cccc(c1)C1OCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111418266	344.38	MAVYKBSGZLHOOH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-072026
Fc1cc(ccc1OC1CCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100092429	344.38	DHSNGLRSLVDLLC-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-072027
O=C(c1noc2c1CCCCC2)N1CCOC(C1)c1ccccc1F	EMOLS-id_111418143	344.38	ZMXMJHRKQWFGKA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-072028
c12CN(CCCn1nc(CNC(=O)c1cc(F)ccc1C)c2)C(=O)C	EMOLS-id_44431365,ZINC22_82099969,MCULE-2132966131,PC-id_70727250	344.383	HKROMKQKTSAZIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072029
c12C(=O)N(CCCn1nc(C(=O)NC(C)C)c2)Cc1ccc(cc1)F	MCULE-7607421716,PC-id_50797861,EMOLS-id_32846194	344.383	VPNUPBLQSQERLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072030
c12C(=O)N(CCCn1nc(C(=O)NCCC)c2)Cc1cccc(F)c1	PC-id_53034529,MCULE-1071644577,EMOLS-id_32632958	344.383	SDEHIUKJHCGZKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072031
CC(CC(=O)c1ccc(cc1)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316566801	344.383	RYNJEJZIPAMAMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072032
CC(NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)F)C	EMOLS-id_32632956,PC-id_53034528,MCULE-6358694021	344.383	VOOQNGZPGRHDCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072033
Fc1ccc(cc1)C1OCCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319457784	344.383	PNMNVHSHBBPHDY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-072034
Fc1ccc(cc1)C1(O)CCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319719416	344.383	UFRGSOCCTAIOHA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-072035
Fc1cccc(c1)C1OCCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319911194,MCULE-1199348862	344.383	RURAXWDKRRNZHA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-072036
Fc1ccc(cc1)C(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97405191	344.383	IIMCWIYGEADMPK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-072037
Fc1cccc(c1)C(=O)N1CCCn2nnc(COCC3CC3)c2C1	PC-id_97405190,ZINC22_96084363,EMOLS-id_46181733	344.383	DPNYZGIRDOGCAF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-072038
Fc1ccc(c(c1)OCC1CC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316779784	344.383	BSYQXAYXCGLMDR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-072039
Fc1cccc(Cn2nc3CCCCC(C(=O)NC4CC4)n3c2=O)c1	EMOLS-id_207869770,MCULE-1687428066	344.383	VKGFGPKIRNZFPJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-072040
Fc1cccc(Cn2nc3CCCCC(C(=O)NCC=C)n3c2=O)c1	MCULE-5861807719,EMOLS-id_207869755	344.383	JDVVBOJPUBNKMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072041
Fc1cc(/C=C/C(=O)NCc2n3CCCCCc3nn2)ccc1OC	PC-id_24676679	344.383	XULJUNAYJXSFLF-VQHVLOKHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072042
Fc1cc(C=CC(=O)NCc2n3CCCCCc3nn2)ccc1OC	PC-id_74311134	344.383	XULJUNAYJXSFLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072043
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC)cc1	PC-id_16011328	344.383	YMACZQVOFBMALL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072044
Fc1ccc(nc1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111432327	344.383	ZQFKIGBPILLJAP-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-072045
Fc1cc(OCC2CC2)cnc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_319346093	344.383	LTCIOCDTYUHEIU-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-072046
Fc1cnccc1C(=O)N1CC(COCC2CC2)Cn2ccnc2C1	EMOLS-id_44325947	344.383	GVFRTRDDQXHXPL-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-072047
Fc1cnccc1C(=O)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_44327057	344.383	ONBKPVKJCONVNL-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-072048
FCCC(=O)N1CCCn2cnc(C(=O)NCc3ccccc3)c2C1	ZINC22_1565553529,EMOLS-id_313786427	344.383	BWLVWNLQBOVMQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072049
O=C(c1ccncc1F)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	ZINC22_247865845	344.383	ONBKPVKJCONVNL-AWEZNQCLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-072050
O=C(c1ccncc1F)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_247865848	344.383	ONBKPVKJCONVNL-CQSZACIVSA-N	00100000100000101101000000000010000000000000000000000000	31-01-072051
O=C(c1ccncc1F)N1Cc2nccn2C[C@H](COCC2CC2)C1	PC-id_97462363,ZINC22_96187914	344.383	GVFRTRDDQXHXPL-AWEZNQCLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-072052
O=C(c1ccncc1F)N1Cc2nccn2C[C@@H](COCC2CC2)C1	PC-id_97462364,ZINC22_96187915	344.383	GVFRTRDDQXHXPL-CQSZACIVSA-N	00100000100000101101000000000010000000000000000000000000	31-01-072053
O=C(c1noc2c1CCCCC2)N1CCN(c2ccnc(F)c2)CC1	EMOLS-id_316340133,MCULE-4575402413,ZINC22_1328155822	344.383	MRMAWAUFNNBPKH-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-072054
O=C(c1noc2c1CCCCC2)N1CCN(CC1)c1ncccc1F	EMOLS-id_111433132	344.383	QUJLPLHBNYGXHE-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-072055
O=C(CCC(=O)c1ccc(F)cc1)NCc1nnc2n1CCCCC2	EMOLS-id_35691714,PC-id_53504161,ZINC22_41820401,MCULE-9568378759	344.383	VBQXFEHILBAZFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072056
O=C(Cn1nc2c(c1)C(=O)NCC(C2)(C)C)NCc1ccccc1F	MCULE-3022368088,EMOLS-id_316427906	344.383	XFVDROKVGOZLIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072057
O=C(Cn1nc2n(c1=O)CCCCC2)NC1(c2ccccc2F)CC1	ZINC22_89813379,PC-id_71930545,EMOLS-id_45651397,MCULE-5831546521	344.383	UUDPFFOTPJTLCJ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-072058
O=C(Cn1nc2n(c1=O)CCCCC2)NC1(c2cccc(F)c2)CC1	EMOLS-id_45652031,MCULE-1451663940,ZINC22_89774780,PC-id_71930243	344.383	WHTYXDYYZACDQL-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-072059
N#Cc1c(NC(=O)c2cc(O)c(c(c2)O)O)sc2c1CCCCC2	PC-id_139593848	344.385	HQZRVFQJKQENCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072060
N#Cc1c(NC(=O)COC(=O)c2ccco2)sc2c1CCCCC2	CoCoCo_3036673,ZINC22_3246607,EMOLS-id_43762884,PC-id_2363854,MCULE-2712953929	344.385	PEKVRHJKPXWGFY-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-072061
O=C(c1cnc2n1CCCCC2)Nc1ncc(s1)S(=O)(=O)F	EMOLS-id_278227407	344.385	PHGIBELIOMNFBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072062
O=C(N1CCCC(=O)c2c1sc(c2C)C)c1ccc(cc1)[N+](=O)[O-]	PC-id_139690665	344.385	JTPJHHRMPMYBEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072063
O=C(OCc1nc(c2ccco2)no1)c1cc2c(s1)CCCCC2	PC-id_71898605,MCULE-4622025312,ZINC22_84436678,EMOLS-id_44524378	344.385	BGCVAYNMICWQLI-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-072064
s1c2CCCCCc2cc1C(=O)OCc1oc(nn1)c1occc1	PC-id_7649833	344.385	LSAATUGEUZNLLM-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-072065
FC1(CCC1)C(=O)N1CCCn2c(CNc3cccnc3)nnc2C1	ZINC22_1565546760,EMOLS-id_313730262	344.387	KCYCBNGNEZNMGY-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-072066
Fc1cccc(c1)C1CCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158920	344.387	FJDXZTNJQVTFNQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-072067
Fc1ccc(cc1)C1CCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183231	344.387	SHRQDYARUHQUQC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-072068
Fc1cccc(c1)C1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163207	344.387	JWOKPGDXMQYFLD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-072069
Fc1ccc(cc1)C1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165085	344.387	HSTBJRAHQHEHOX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-072070
Fc1cc(ccn1)C(=O)N1CCCn2c(CN3CCCC3)nnc2C1	EMOLS-id_313732050,ZINC22_585110550	344.387	UGDCHSCFMJISFI-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-072071
Fc1ncnc(c1)N1CCN(CC1)C(=O)c1cnc2n1CCCCC2	EMOLS-id_316554578	344.387	VRLLIHFHMPVKNR-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-072072
NC(=O)c1cn2CCN(CCc2n1)S(=O)(=O)CC1COCCO1	EMOLS-id_331132446,MCULE-5410964319	344.387	KVEYVGABSHOJGV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072073
NC(=O)c1cn2c(n1)CCN(S(=O)(=O)C[C@@H]1COCCO1)CC2	ZINC22_1875245119	344.387	KVEYVGABSHOJGV-JTQLQIEISA-N	00000000100010000101000000000010000000000000000000000000	31-01-072074
NC(=O)c1cn2c(n1)CCN(S(=O)(=O)C[C@H]1COCCO1)CC2	ZINC22_1875245120	344.387	KVEYVGABSHOJGV-SNVBAGLBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072075
O=C(C1CCN(C1)c1ccccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102176486	344.387	XDUZDVKRCHQKES-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-072076
O=C(N1CCC(C1)c1ccccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102163234	344.387	XKKHXYPJUTZDON-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-072077
O=C(NC1CCn2c(CC1)nnn2)N[C@@H]1C[C@H](C1)c1cccc(c1)F	EMOLS-id_102175712	344.387	ULRORFSGLBCUPX-SGWWRPLDSA-N	00001000100000110101100000000010000000000000000000000000	31-01-072078
O=C(NC1CCn2c(CC1)nnn2)N[C@@H]1C[C@H](C1)c1ccc(cc1)F	EMOLS-id_102180039	344.387	KFTIFCMBWMVLLV-SGWWRPLDSA-N	00001000100000110101100000000010000000000000000000000000	31-01-072079
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CNC(=O)c1ccccc1	PC-id_90625260	344.388	IZGJDRBUEDDMBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072080
CC(=O)Nc1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625279	344.388	YGQCNFHFICMXOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072081
O=c1[nH]cnc2c1c(C(=O)Nc1nc3c(s1)CCCCC3)c(o2)C	PC-id_29332205,EMOLS-id_36262255,MCULE-2563865095	344.388	UAVBRHBBLUKPBI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-072082
s1c2CCCCCc2nc1NC(=O)C1=C(OC2=NC=NC(=O)C12)C	PC-id_74593375	344.388	HEVRVAZVJXSAKK-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-072083
S(CCn1c2NC=NCC(=O)c2nc1)c1c(cccc1)C(=O)OC	PC-id_10617414	344.388	PBCKMWWOAANHEH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-072084
c1(C(=O)NCc2noc(c3cccs3)n2)nnc2CCCCCn12	EMOLS-id_222792705,MCULE-6217479455,ZINC22_670473336	344.392	IUKMYJIDNKYFMN-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-072085
Cc1n[nH]cc1c1nnc(NC(=O)N2CCCc3occc3C2)s1	EMOLS-id_177195059,ZINC22_377596973,MCULE-6406879319	344.392	FMCONZOGISJVGN-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-072086
Cc1sc2c(n1)CCCCN2C(=O)c1nnn2c1c(=O)[nH]c(c2)C	EMOLS-id_318875635	344.392	MDTRXSXTVYVUEU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-072087
Cn1nnc(c1)c1onc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318873145	344.392	ONDRTGRSBDHLRG-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-072088
Cn1nnc(c1)c1onc(c1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_319058435	344.392	SOADHQDNLCZYFV-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-072089
O=C1N(C(=O)N(/C(=[N+](/Cc2n3CCCCCc3nn2)C)/C1C#N)C)C	PC-id_76458701	344.392	UAOSGZDZIPYOAQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072090
O=C(Cn1ncn2c(c1=O)ccn2)Nc1nc2c(s1)CCCCC2	PC-id_100906684	344.392	NNEIIRPIZPNYDM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-072091
O=S(=O)(c1cnn(c1)c1ccccc1)N1CCCn2c(C1)cnn2	EMOLS-id_316708862	344.392	NOVOONZMHRBYPP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-072092
Cc1cnnn1Cc1ncn2c1CN(C(=O)c1csnn1)CCC2	EMOLS-id_313730525,ZINC22_1565546264	344.395	XATHQMOKZCTZIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072093
CC(C)N1C/C=Cc2c(CC(C1=O)(F)F)n(cc2)Cc1ccccc1	PC-id_134952883	344.398	DNRKWXFQHRIRPR-TWGQIWQCSA-N	00000000100000110110000000000010000000000000000000000000	31-01-072094
Fc1ccc(c(c1)F)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807937	344.4	PXMOELMOKFVUBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072095
Fc1ccc(c(c1)S(=O)(=O)Nc1nc2c(s1)CCCCC2)F	PC-id_112807961	344.4	TVZJBMITHWWDFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072096
Fc1cc(F)cc(c1)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807938	344.4	NVLSKZKVBPQBHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072097
CCCCc1cc(c2-c1ccc(cc2)CC(=O)OC)OC(=O)OCC	SCHEMBL8527382,PC-id_17776121	344.402	SIPPLUHFOHQABJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072098
CCCCCOC(=O)c1c(OC)c(c2-c1ccccc2)C(=O)OCC	PC-id_141346800	344.402	KUHQUCQNMUUDNE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072099
CCCCCOC(=O)c1c(OCC)c(c2-c1ccccc2)C(=O)OC	PC-id_141346801	344.402	WFFOAOXESXCTBZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072100
CCCCOc1c(C(=O)OCC)c2-c(c1C(=O)OCC)ccccc2	PC-id_141346760	344.402	STEGUYTZDUOINC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072101
CCCCOC(=O)c1c(OC)c(c2-c1ccc(cc2C)C)C(=O)OC	PC-id_141346767	344.402	BKTHYJGDURZWEL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072102
CCCCOC(=O)c1c(OCC)c(c2-c1ccccc2)C(=O)OCC	PC-id_141346749	344.402	MTWJIFPWVWPJQA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072103
CCCOC(=O)c1c2-c(c(c1OC)C(=O)OCC)c(C)cc(cc2)C	PC-id_141346753	344.402	BNYVQUNYZHIDNA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072104
CCCOC(=O)c1c(OCC)c(c2-c1ccc(cc2C)C)C(=O)OC	PC-id_141346762	344.402	UHKLLZKBFFUDEQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072105
CCCOC(=O)c1c(OCC)c(c2-c1ccccc2)C(=O)OCCC	PC-id_141346771	344.402	HSPDEXORKLWCTH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072106
CCOC(=O)c1c(OCC)c(c2-c1c(C)cc(cc2)C)C(=O)OCC	PC-id_141346791	344.402	PXALRKXMCSDHIE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072107
CCOC(=O)Oc1cc(c2-c1ccc(cc2)CC(=O)OC)CC(C)C	SCHEMBL8527713,PC-id_17776143	344.402	MJBXOYUQKVWLGG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072108
Cc1c(C(=O)Nc2nc3c(s2)CCCCC3)oc2c(F)cccc12	ZINC22_12749814,PC-id_24231428,EMOLS-id_17157751,MCULE-4501610821,CoCoCo_4546194	344.403	ASJUFMSWJNZPPT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-072109
o1c(C(=O)c2c3-c(c(CCC)c2)ccccc3)cc2c1ccc(OC)c2	PC-id_10882479	344.403	ZXUZROHICKGAMF-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-072110
o1c(C(=O)c2c3-c(c(CCC)c2)ccccc3)cc2c1cc(OC)cc2	PC-id_11078452	344.403	YBWFVLPMURIKQQ-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-072111
o1c(C(=O)c2c3-c(c(CCC)c2)ccccc3)cc2c1c(OC)ccc2	PC-id_11142468	344.403	GSLDLKJXYPBFMO-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-072112
s1c2CCCCCc2c(c1NC(=O)COc1c(F)cccc1)C#N	PC-id_78767752	344.403	BLJHMXYEAIJRBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072113
c1(C(=O)c2ccc(c(OCC)c2)OCC)n(O)c2c(CCCCC2)n1	MCULE-7834901302,EMOLS-id_2276101,PC-id_2992074,ZINC22_4810474,CoCoCo_1024061	344.405	YTNSKQPTBHHBSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072114
c1(C(=O)c2cc(OCC)ccc2OCC)n(O)c2c(CCCCC2)n1	PC-id_17582038,STOCK6S-05023,ZINC22_5452454,MCULE-9608910398,EMOLS-id_4732127	344.405	PYBOPZUKCXVDLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072115
c1(C(=O)NCCc2ccc(c(OC)c2)OC)c2CCCCCc2on1	STOCK6S-82326,EMOLS-id_15972022,ZINC22_426553,MCULE-5947997953,PC-id_5128818,TIMTEC580927	344.405	YTTGPOCOBIBWOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072116
c1(C(=O)NCCc2cc(OC)ccc2OC)c2CCCCCc2on1	TIMTEC493844,EMOLS-id_21980689,ZINC22_20228875,MCULE-7103868854,PC-id_17254384	344.405	VANLBDFJPKHNQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072117
COc1cc(OC)ccc1[C@@H](NC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_320089278,MCULE-4048642427	344.405	GIXDFXDGXIEZLC-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072118
COC(c1ccccc1)(CNC(=O)c1noc2c1CCCCC2)OC	EMOLS-id_316568753	344.405	QRIMFENHULNHOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072119
CS(=O)(=O)NCC1CCn2nccc2CN1C(=O)C1CC(F)C1	EMOLS-id_313816872	344.405	HXLSNURFTIIYFT-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072120
CS(=O)(=O)NC[C@H]1CCn2nccc2CN1C(=O)C1CC(F)C1	ZINC22_585097155	344.405	HXLSNURFTIIYFT-HTAVTVPLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072121
CS(=O)(=O)NC[C@@H]1CCn2nccc2CN1C(=O)C1CC(F)C1	ZINC22_585097158	344.405	HXLSNURFTIIYFT-MCIGGMRASA-N	00001000100000000101000000000010000000000000000000000000	31-01-072122
O=C(c1noc2c1CCCCC2)N(Cc1ccco1)CC1CCCO1	EMOLS-id_73047915,PC-id_121587470,MCULE-1512381720	344.405	XIKRGKGHYOSCIH-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-072123
O=C(c1noc2c1CCCCC2)N(Cc1ccco1)C[C@@H]1CCCO1	ZINC22_121685161	344.405	XIKRGKGHYOSCIH-HNNXBMFYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-072124
O=C(c1noc2c1CCCCC2)N(Cc1ccco1)C[C@H]1CCCO1	ZINC22_121685333	344.405	XIKRGKGHYOSCIH-OAHLLOKOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-072125
OCCN(C(=O)c1noc2c1CCCCC2)Cc1ccc(cc1)OC	EMOLS-id_316678136	344.405	GEZAJIXWPPOXGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072126
[O-][N+](=O)C(Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C)CC[N+](=O)[O-]	PC-id_13435107	344.405	UPEMYLWMUQWRIB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072127
C1CCc2nnc(n2CC1)/C(=C(/CSc1ccc(cc1)F)O)/C#N	PC-id_135552910	344.406	YVUJLOXMLLOUKN-PFONDFGASA-N	00000000100000110101000000000010000000000000000000000000	31-01-072128
Cc1ccc(c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1	CHEMBL1796985,PC-id_46946014	344.406	DQWBQIDXKGHXFO-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-072129
Fc1ccc(c2cnc(CSc3nnc4n3CCCCC4)o2)cc1	CoCoCo_4013241,EMOLS-id_11819534,PC-id_16369631,MCULE-9643967254,ZINC22_9883846	344.406	SVSVQUVRIMFDFR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-072130
O=C1c2c([nH]c(Cc3ccc(cc3)c3ccc(cc3)C)c2)C(=O)NCC1	PC-id_56970239	344.406	QPFROTVAUUYJND-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-072131
O=C1CCN(Cc2ccccc2)C(=O)c2c1ccn2Cc1ccccc1	PC-id_56676905,CHEMBL1796977	344.406	YEXLKPLDGKCBQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072132
s1c(C(=O)NCc2n3CCCCCc3nn2)cc2c1cccc2F	PC-id_30547166	344.406	WMADPEGBFFUXEB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-072133
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1ccc(F)cc1	PC-id_84836807	344.406	IMGJQOSEDBRGOM-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-072134
S(CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N)c1ccc(F)cc1	PC-id_8788373	344.406	IMGJQOSEDBRGOM-SAPNQHFASA-N	00000011000000110111000000000010000000000000000000000000	31-01-072135
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1cc(cn1C)C(=O)C	MCULE-4548423802,PC-id_56903796,EMOLS-id_43141128,ZINC22_72447982	344.408	AYQSKDNGQNPKFF-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-072136
c1(c(C)noc1C)C(=O)N1CCCn2c(cc(n2)C(O)C2CCC2)C1	MCULE-9583106475,PC-id_90649609,EMOLS-id_50534213	344.408	UKFAQSQUMWDRMK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072137
c1(C(O)C2CCC2)cc2n(CCCN(C(=O)NCc3ccco3)C2)n1	EMOLS-id_55675109,PC-id_91785269,MCULE-2462019663	344.408	RCPMQBCFNYXOMH-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-072138
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)[nH]c(c(C(=O)O)c1C)C	ZINC22_244773810,EMOLS-id_55693225,MCULE-7779516272,PC-id_91841487	344.408	PGZHSEAKIXHSRP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-072139
c1(C(=O)NCCc2cccc(OC)c2OC)cc2n(CCCNC2)n1	MCULE-8452069583,PC-id_50952786,ZINC22_65376257,EMOLS-id_32376964	344.408	BPAGVQBBEGFJST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072140
c1(C(=O)NCCO)cc2n(CCCN(Cc3ccccc3OC)C2)n1	EMOLS-id_32392298,ZINC22_65397111,PC-id_50960854,MCULE-9590693156	344.408	FNDXMBLGANKKLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072141
CC1Cc2nnc(COCC3CC3)n2CCN1C(=O)c1ccoc1C	EMOLS-id_313823526	344.408	BSXJVIXIFRYKGP-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-072142
CC1Cc2nnc(COCC3CC3)n2CCN1C(=O)c1occc1C	EMOLS-id_313823270	344.408	GPOANCCTBKLMFE-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-072143
Cc1cc(C(=O)N2Cc3cncn3C[C@H](COCC3CCC3)C2)on1	PC-id_97475988,ZINC22_96207861	344.408	ICSHIXXUQIOWTA-OAHLLOKOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072144
Cc1cc(C(=O)N2Cc3cncn3C[C@@H](COCC3CCC3)C2)on1	PC-id_97475989,ZINC22_96207862	344.408	ICSHIXXUQIOWTA-HNNXBMFYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072145
Cc1ccoc1C(=O)N1Cc2ccnn2CCC1CN1CCOCC1	EMOLS-id_313816618	344.408	RTLYYIKQWGLSFI-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072146
Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCOCC1	ZINC22_585097842	344.408	RTLYYIKQWGLSFI-HNNXBMFYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072147
Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCOCC1	ZINC22_585097844	344.408	RTLYYIKQWGLSFI-OAHLLOKOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072148
Cc1ccoc1C(=O)N1CCc2ncc(CN3CCOCC3)n2CC1	PC-id_97467056,ZINC22_96196912,EMOLS-id_44328755	344.408	RQPGZFZFWGFTEW-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072149
Cc1ccoc1C(=O)N1CCn2c(COCC3CC3)nnc2C[C@H]1C	ZINC22_585097223	344.408	GPOANCCTBKLMFE-CYBMUJFWSA-N	00100000101000000101000000000010000000000000000000000000	31-01-072150
Cc1ccoc1C(=O)N1CCn2c(COCC3CC3)nnc2C[C@@H]1C	ZINC22_585097224	344.408	GPOANCCTBKLMFE-ZDUSSCGKSA-N	00100000101000000101000000000010000000000000000000000000	31-01-072151
Cc1cc(on1)C(=O)N1CC(COCC2CCC2)Cn2cncc2C1	EMOLS-id_49230781	344.408	ICSHIXXUQIOWTA-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072152
Cc1c[nH]c(n1)C1(CCOCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_319515410	344.408	XRQJKMPIXCUXLI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072153
Cc1ncoc1C(=O)N1Cc2ccnn2C[C@@H](OCC2CCCC2)C1	ZINC22_248053102	344.408	TTXUYZIJMFHSTE-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072154
Cc1ncoc1C(=O)N1Cc2ccnn2C[C@H](OCC2CCCC2)C1	ZINC22_248053106	344.408	TTXUYZIJMFHSTE-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072155
Cc1ncoc1C(=O)N1Cc2cncn2C[C@@H](COCC2CCC2)C1	PC-id_97483181,ZINC22_96216116	344.408	TWBYPYSQSVOXIG-HNNXBMFYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072156
Cc1ncoc1C(=O)N1Cc2cncn2C[C@H](COCC2CCC2)C1	ZINC22_96216113,PC-id_97483178	344.408	TWBYPYSQSVOXIG-OAHLLOKOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072157
Cc1ncoc1C(=O)N1CC(Cn2nccc2C1)OCC1CCCC1	EMOLS-id_50013056	344.408	TTXUYZIJMFHSTE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072158
Cc1ncoc1C(=O)N1CC(COCC2CCC2)Cn2cncc2C1	EMOLS-id_49234997	344.408	TWBYPYSQSVOXIG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072159
Cc1nn(cc1NC(=O)c1noc2c1CCCCC2)C1CCOCC1	EMOLS-id_319173254	344.408	UQAGMYOCXVRFJP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072160
Cc1noc(c1)CC(=O)N1CCCn2c(cc(n2)C(C2CCC2)O)C1	PC-id_91788682	344.408	DOBSSGNKOPUURD-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072161
Cc1noc(c1)CN1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111824479	344.408	MSOUNXUTUYXRHY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072162
Cc1noc(C)c1C(=O)N1Cc2ccnn2CCC1COCC1CC1	EMOLS-id_313741751	344.408	MJUCPRSAXWQYEF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-072163
Cc1noc(C)c1C(=O)N1Cc2ccnn2CC[C@H]1COCC1CC1	ZINC22_585097497	344.408	MJUCPRSAXWQYEF-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-072164
Cc1noc(C)c1C(=O)N1Cc2ccnn2CC[C@@H]1COCC1CC1	ZINC22_585097498	344.408	MJUCPRSAXWQYEF-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-072165
Cc1noc(C)c1C(=O)N1Cc2cncn2CCC1COCC1CC1	EMOLS-id_313737917	344.408	GDNQPMQCBOCXPR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-072166
Cc1noc(C)c1C(=O)N1Cc2cncn2CC[C@H]1COCC1CC1	ZINC22_585096968	344.408	GDNQPMQCBOCXPR-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-072167
Cc1noc(C)c1C(=O)N1Cc2cncn2CC[C@@H]1COCC1CC1	ZINC22_585096969	344.408	GDNQPMQCBOCXPR-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-072168
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1ccccc1	PC-id_34035391	344.428	SXWPTLACICJEQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072487
Cc1noc(C)c1C(=O)N1CCCn2nc([C@H](O)C3CCC3)cc2C1	PC-id_100048975,ZINC22_219867854	344.408	UKFAQSQUMWDRMK-QGZVFWFLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072169
Cc1noc(C)c1C(=O)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1	ZINC22_219867811,PC-id_100048974	344.408	UKFAQSQUMWDRMK-KRWDZBQOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072170
Cc1occc1C(=O)N1Cc2ccnn2CCC1CN1CCOCC1	EMOLS-id_313817386	344.408	ILVGJPDIDIEKDM-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072171
Cc1occc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCOCC1	ZINC22_585097190	344.408	ILVGJPDIDIEKDM-HNNXBMFYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072172
Cc1occc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCOCC1	ZINC22_585097191	344.408	ILVGJPDIDIEKDM-OAHLLOKOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072173
Cc1occc1C(=O)N1Cc2nccn2C[C@H](CN2CCOCC2)C1	PC-id_97462944,ZINC22_96188508	344.408	SMFNLRJKWKHNQE-HNNXBMFYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072174
Cc1occc1C(=O)N1Cc2nccn2C[C@@H](CN2CCOCC2)C1	ZINC22_96188509,PC-id_97462945	344.408	SMFNLRJKWKHNQE-OAHLLOKOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072175
Cc1oc(c(c1)C(=O)N1CCCn2c(C1)c(COCC1CC1)nn2)C	PC-id_97405192	344.408	YMOMKONLRHLTSL-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-072176
Cc1occc1C(=O)N1CC(CN2CCOCC2)Cn2ccnc2C1	EMOLS-id_44326347,CHEMBL3552121,PC-id_118745041	344.408	SMFNLRJKWKHNQE-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072177
Cc1occc1C(=O)N1CCn2c(COCC3CC3)nnc2C[C@H]1C	ZINC22_585096867	344.408	BSXJVIXIFRYKGP-GFCCVEGCSA-N	00100000101000000101000000000010000000000000000000000000	31-01-072178
Cc1occc1C(=O)N1CCn2c(COCC3CC3)nnc2C[C@@H]1C	ZINC22_585096870	344.408	BSXJVIXIFRYKGP-LBPRGKRZSA-N	00100000101000000101000000000010000000000000000000000000	31-01-072179
Cc1onc(c1)CN1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111823531	344.408	HDUDDCQKAUOAIE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072180
Cc1onc(n1)C1(CCCCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111826738	344.408	PEZGKEUZFKLFTQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072181
CCc1ccc(o1)C1COCCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319122563	344.408	LVWQISBOKIAXDG-UHFFFAOYSA-N	00000000101010000101100000000010000000000000000000000000	31-01-072182
CCc1nccn1CCNC(=O)c1coc2c1C(=O)NCC(C2)(C)C	MCULE-2688116771,EMOLS-id_320313616	344.408	CRYOKDVGGQJFOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072183
CCCC1N(CCCn2c1ncc2)C(=O)c1ccc(nc1OC)OC	EMOLS-id_55717276,MCULE-8849579481	344.408	LMFLLLFOTHDATN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-072184
C[C@@H]1COCn2c(cnn2)CC[C@H](C(=O)N1)Cc1ccc(cc1)OC	PC-id_134828878	344.408	OBPFRCFQAPKCII-HIFRSBDPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072185
C[C@H](c1ccco1)N(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1	PC-id_97089245,ZINC22_89910091	344.408	BOWQSZJAWDNIFI-CYBMUJFWSA-N	00100000101000000101000000000010000000000000000000000000	31-01-072186
C[C@@H](c1ccco1)N(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1	ZINC22_89910090,PC-id_97089244	344.408	BOWQSZJAWDNIFI-ZDUSSCGKSA-N	00100000101000000101000000000010000000000000000000000000	31-01-072187
CC(O)c1cc2CN(Cc3cccc(OCC(=O)N)c3)CCCn2n1	EMOLS-id_55602692,PC-id_91759974,MCULE-3307649687	344.408	QGVTYRDPZXEZPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072188
CCOc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1OC	PC-id_47014556,MCULE-5781360293,ZINC22_48278539,EMOLS-id_30676119	344.408	DRFGXIHUAHQDTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072189
Cn1cc([C@@H]2CN(C(=O)c3noc4c3CCCCC4)C[C@H]2CO)cn1	ZINC22_277898264,EMOLS-id_72965805,PC-id_120581532,MCULE-2113809469	344.408	FZUIZBAEJGDQII-ZFWWWQNUSA-N	00000010100000000101100000000010000000000000000000000000	31-01-072190
Cn1cc(CN2CC[C@H](O)C2)c(C(=O)N2CCCc3occc3C2)n1	ZINC22_952888898	344.408	YQWLIGGMVDAXHP-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072191
Cn1cc(CN2CC[C@@H](O)C2)c(C(=O)N2CCCc3occc3C2)n1	ZINC22_952888899	344.408	YQWLIGGMVDAXHP-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072192
CN(C)C(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	EMOLS-id_207876602,MCULE-7320682559	344.408	KAEUJSBWRDGRBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072193
COc1ccc(c(c1)CCNC(=O)C1CCn2c(CC1)nnc2)OC	EMOLS-id_320133967,MCULE-1758558018	344.408	ZIOGXDLCLZCTSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072194
COc1cccc(c1C(=O)NCCCc1nnc2n1CCCCC2)O	EMOLS-id_278596137	344.408	IEMPEVAAFTWWTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072195
COc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)OC(C)C	EMOLS-id_320194479,MCULE-4739934309	344.408	UBTYAHBIAKRRAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072196
COc1ccc(c(c1)OC)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319652000	344.408	UCUIFQVVKZWOQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072197
COc1ccc(cc1OC)CN(C(=O)C1CCn2c(CC1)nnc2)C	MCULE-3330145827,EMOLS-id_320220449	344.408	INBAEDVCKMGNOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072198
COc1cc(C)cc(C(=O)NCCc2nnc3n2CCCCC3)c1O	PC-id_53591241,EMOLS-id_36357634,MCULE-8888325258,ZINC22_69654455	344.408	DQMWJKRWAWYRPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072199
COc1cccc(C(=O)NCCc2nnc3n2CCCCC3)c1OC	EMOLS-id_30699790,MCULE-3806871746,PC-id_47017154,ZINC22_48310009	344.408	CAULGFBXTCFJFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072200
COc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1OC	PC-id_47017157,MCULE-4135152041,ZINC22_48326595,EMOLS-id_30715803	344.408	RRDDTVQFCIJVMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072201
COc1ccc(C(=O)NCCc2nnc3n2CCCCC3)c(OC)c1	ZINC22_32872040,CoCoCo_4472985,MCULE-8736042144,PC-id_40106457,EMOLS-id_24994517	344.408	MLPQNVJTKQYYDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072202
COc1cc(CNC(c2nnc3n2CCCCC3)C)cc2c1OCO2	PC-id_47614371,EMOLS-id_37010235,MCULE-6392653380	344.408	DJRZNMMNLIUWGR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-072203
COc1cc(CN[C@@H](C)c2nnc3n2CCCCC3)cc2c1OCO2	PC-id_95582532,ZINC22_71825198	344.408	DJRZNMMNLIUWGR-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-072204
COc1cc(CN[C@H](C)c2nnc3n2CCCCC3)cc2c1OCO2	ZINC22_71825199,PC-id_95582533	344.408	DJRZNMMNLIUWGR-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-072205
COc1c(C)[nH]cc(c1=O)CN(C(=O)c1n[nH]c2c1CCCCC2)C	EMOLS-id_279024710	344.408	MXOBCBVZJPBLPW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-072206
COc1cc(OC)cc(c1)C(=O)NC(c1nnc2n1CCCCC2)C	MCULE-7143651709,PC-id_53503154,EMOLS-id_35688562	344.408	VEKCWQIZXOFPPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072207
COc1cc(OC)ccc1NC(=O)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318955250	344.408	ZOJBDFGWHNQZKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072208
COc1cc(OC)cc(C(=O)NCCc2nnc3n2CCCCC3)c1	ZINC22_48303410,PC-id_47017155,MCULE-4379259191,EMOLS-id_30696228	344.408	SPSXXUYJJKEWLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072209
COc1cc(OC)cc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)c1	ZINC22_29252917	344.408	VEKCWQIZXOFPPQ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072210
COc1cc(OC)cc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)c1	ZINC22_29252925	344.408	VEKCWQIZXOFPPQ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072211
COC(c1ccccc1)(CNC(=O)C1CCn2c(CC1)nnc2)OC	EMOLS-id_319650790	344.408	NTLFESAADYDPAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072212
COCc1nnc2CC(C)N(CCn12)C(=O)COc1ccccc1C	EMOLS-id_313823528	344.408	SQEYHKSXYPBZSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072213
COCc1nnc2CC(C)N(CCn12)C(=O)COc1ccc(C)cc1	EMOLS-id_313823272	344.408	MANVTJZAKIKYEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072214
COCc1nnc2n1CCN(C(=O)COc1ccccc1C)[C@@H](C)C2	ZINC22_585098258	344.408	SQEYHKSXYPBZSY-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072215
COCc1nnc2n1CCN(C(=O)COc1ccccc1C)[C@H](C)C2	ZINC22_585098260	344.408	SQEYHKSXYPBZSY-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072216
COCc1nnc2n1CCN(C(=O)COc1ccc(C)cc1)[C@@H](C)C2	ZINC22_585097568	344.408	MANVTJZAKIKYEJ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072217
COCc1nnc2n1CCN(C(=O)COc1ccc(C)cc1)[C@H](C)C2	ZINC22_585097569	344.408	MANVTJZAKIKYEJ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072218
COCCC(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1	ZINC22_96188088,PC-id_97462533	344.408	RMEZJHMBGMLODP-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-072219
COCCC(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1	ZINC22_96188090,PC-id_97462535	344.408	RMEZJHMBGMLODP-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-072220
COCCC(=O)N1CC(COCc2cccnc2)Cn2ccnc2C1	EMOLS-id_44326027	344.408	RMEZJHMBGMLODP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-072221
COCCOc1ccccc1CNC(=O)C1CCn2c(CC1)nnc2	MCULE-3966456751,EMOLS-id_320075509	344.408	BUXWIRPRSBPHFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072222
COCCOc1cc(C)ccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319731924	344.408	SMWRTWHMRCAQLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072223
COCCOCc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316665169	344.408	DLVFEJMYPHYVNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072224
COC(=O)c1ccc(CN(C)Cn2nc3n(c2=O)CCCCC3)cc1	CoCoCo_4837096,PC-id_32781530,EMOLS-id_29579860,ZINC22_95349864,CoCoCo_4837095,MCULE-1239976487	344.408	UXOLGISSUTYOIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072225
NC(=O)COc1cccc(c1)CN1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_100001893	344.408	QGVTYRDPZXEZPD-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072226
NC(=O)COc1cccc(c1)CN1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_100001896	344.408	QGVTYRDPZXEZPD-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072227
O1Cc2n(nnc2)CC[C@H](Cc2ccc(OC)cc2)C(=O)NCCC1	PC-id_71759235	344.408	BZUWENYTXVLHEL-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072228
O1Cc2n(nnc2)CC[C@@H](Cc2ccc(OC)cc2)C(=O)NCCC1	PC-id_71760576	344.408	BZUWENYTXVLHEL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072229
O1C[C@H](NC(=O)[C@H](CCc2n(nnc2)C1)Cc1ccc(OC)cc1)C	PC-id_71759358	344.408	OBPFRCFQAPKCII-UKRRQHHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072230
O1C[C@@H](NC(=O)[C@@H](CCc2n(nnc2)C1)Cc1ccc(OC)cc1)C	PC-id_71760325	344.408	OBPFRCFQAPKCII-ZFWWWQNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072231
O1C[C@@H](NC(=O)[C@H](CCn2nnc(c2)C1)Cc1ccc(OC)cc1)C	PC-id_71759270	344.408	ASJCEZPPVFLSCI-DZGCQCFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072232
O1C[C@@H](NC(=O)[C@@H](CCn2nnc(c2)C1)Cc1ccc(OC)cc1)C	PC-id_71759344	344.408	ASJCEZPPVFLSCI-ZFWWWQNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072233
O1C[C@H](NC(=O)[C@H](CCn2nnc(c2)C1)Cc1ccc(OC)cc1)C	PC-id_71759740	344.408	ASJCEZPPVFLSCI-UKRRQHHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072234
O1C[C@H](NC(=O)[C@@H](CCn2nnc(c2)C1)Cc1ccc(OC)cc1)C	PC-id_71760595	344.408	ASJCEZPPVFLSCI-HIFRSBDPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072235
Oc1cccc(c1)C(C(=O)N(Cc1nnc2n1CCOCC2)C)(C)C	EMOLS-id_319631369	344.408	TTWUNDZPMHSPLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072236
OC1CCN(C1)Cc1cn(nc1C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_316124056,MCULE-4745934891	344.408	YQWLIGGMVDAXHP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072237
O=c1c(c([nH]cc1C)CN1CCCn2nc(cc2C1)CCC(=O)O)C	PC-id_56915756	344.408	PBTOJVOJTRIILZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-072238
O=c1n2CCCCCc2nn1CC(=O)NCc1c(OCC)cccc1	PC-id_60565727	344.408	GOPDUWOSZJOCSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072239
O=c1n2CCCCCc2nn1CC(=O)NCCc1cc(OC)ccc1	PC-id_78879277	344.408	PFKCXIVKRDUJRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072240
O=C1NCCCOCc2nnn(CCC1Cc1ccc(OC)cc1)c2	PC-id_78140299	344.408	HNJVFQVDGZCYMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072241
O=C1NCCCOCc2nnn(CC[C@H]1Cc1ccc(OC)cc1)c2	PC-id_71656066	344.408	HNJVFQVDGZCYMC-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072242
O=C1NCCCOCc2nnn(CC[C@@H]1Cc1ccc(OC)cc1)c2	PC-id_71758985	344.408	HNJVFQVDGZCYMC-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072243
OCc1ccc(cc1)CCNC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_109977424	344.408	VCWTZAPMOGGOHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072244
OCc1ccc(c(c1)OC)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_316733266	344.408	GKCVNEUOWFEVSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072245
OCc1ccc(cc1)OCC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318054749	344.408	FVWOUFPMVWFYSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072246
O=C(C1CCn2c(CC1)nnc2)N(Cc1ccco1)CC1CCCO1	EMOLS-id_316720812	344.408	DGXHPDPELNTSIP-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-072247
O=C(c1cnn2c1CN(C(=O)[C@@H]1[C@H]3COC[C@@H]13)CCC2)N1CCCC1	EMOLS-id_313773772,ZINC22_1565544973	344.408	BEPXWZCBKVDBJE-FOLVSLTJSA-N	00100010100000000101010000000010000000000000000000000000	31-01-072248
O=C(c1coc2c1C(=O)NCC(C2)(C)C)N1CCC(CC1)C1(C)N=N1	EMOLS-id_319113240	344.408	YGODAFSFEODSJZ-UHFFFAOYSA-N	00110000100010000101100000000010000000000000000000000000	31-01-072249
O=C(c1coc2c1C(=O)NCC(C2)(C)C)N1CCCC(C1)C1(C)N=N1	EMOLS-id_319971967,MCULE-3747769256	344.408	HVVYHAHGQAJQTH-UHFFFAOYSA-N	00110000100010000101100000000010000000000000000000000000	31-01-072250
O=C(c1conc1C1(C)COC1)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319643338	344.408	WTCQYOADYWCIJB-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-072251
O=C(c1noc2c1CCCCC2)N1CCC(CC1)(O)c1ccnn1C	EMOLS-id_319569581	344.408	ZGWBXEOVSNFSOU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072252
O=C(c1noc2c1CCCCC2)N1CCC(CC1)(O)c1nccn1C	EMOLS-id_319329705	344.408	PJZNMXMGDQGIMU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072253
O=C(c1noc2c1CCCCC2)N1CCN(CC1)Cc1ncoc1C	EMOLS-id_319012733	344.408	TUIMRZTWOBJAJL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072254
O=C(c1noc2c1CCCCC2)Nc1cc(nn1C)C1CCCOC1	EMOLS-id_111288601	344.408	RHDZLASYHZAXJJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072255
O=C(c1noc2c1CCCCC2)NC1CCOC(C1)c1ccnn1C	EMOLS-id_101558534	344.408	UPDROUWBAAELLG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072256
OCCC(c1ccc(cc1)OC)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319278790	344.408	WFGHTZRLDHPLID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072257
O=C(Cn1nc2n(c1=O)CCCCC2)NCC(c1ccccc1)(O)C	PC-id_111334951	344.408	KSYXCZINNDCJRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072258
O=C(Cn1nc2n(c1=O)CCCCC2)NCCC(c1ccccc1)O	PC-id_111471655	344.408	FKLQSWSLYKACEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072259
OCCN(C(=O)Cn1nc2n(c1=O)CCCCC2)Cc1ccccc1	PC-id_110886465	344.408	ZFEWTRWZNZMVPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072260
O(C(C(=O)NCc1n2CCCCCc2nn1)C)c1ccc(OC)cc1	PC-id_51327475	344.408	UGSBSIBKSBAQOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072261
O(CC(=O)NCCc1n2CCCCCc2nn1)c1c(OC)cccc1	PC-id_60389659	344.408	DWWDZKCTYLKZOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072262
O=C(N1CCCc2c(C1)cco2)NC1CCOC(C1)c1ccnn1C	EMOLS-id_101585298	344.408	KTEQWTHJVDHWTQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072263
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CCn1c(C#Cc2ccc(cc2)N(N)C)c(c2=CCC=C(C=c12)O)C#N	PC-id_143184721	344.41	OCABMYPVWQXHRG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-072277
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c12N(CCCCc1cc(C(=O)Nc1ccc3c(OCO3)c1)s2)CC	EMOLS-id_97030388,MCULE-9872353910	344.428	SOOQUJQCEFLMHG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-072447
Clc1ccc(CC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_4376907	344.858	TVBMAQQCHXAUMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072936
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCCCC2)c1C#N	MCULE-9524514782,TIMTEC156449,PC-id_4445032,EMOLS-id_4023380	344.428	FUDLCZYASOUKOC-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-072448
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)N	PC-id_896139,MCULE-6624364246,EMOLS-id_1491091,CoCoCo_359760,ZINC22_473511,BAS-07004911	344.428	NWAQVDXHCXCTJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072449
c1(NC(=O)c2ccccc2OC)sc2c(CCCCC2)c1C(=O)N	TIMTEC549619,MCULE-3900503025,CoCoCo_359758,ZINC22_804956,PC-id_1087115,EMOLS-id_1491087	344.428	XKXSJMQKYQRPMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072450
c1(NC(=O)c2cccc(OC)c2)sc2c(CCCCC2)c1C(=O)N	ZINC22_4176854,PC-id_3155235,MCULE-5568286793,CoCoCo_359759,EMOLS-id_1491089	344.428	JWVLCUGDVKMILE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072451
c1(NC(=O)c2cccnc2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_673769,EMOLS-id_5346876,MCULE-5257790252,CoCoCo_1681388,ZINC22_35941	344.428	WLJCDMBBFRRGAH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-072452
c1(NC(=O)c2cccnc2)sc2c(CCCCCC2)c1C(=O)OC	CoCoCo_901712,PC-id_2165286,MCULE-3711958493,SPECS-id_AK-968/12862128,TIMTEC513512,EMOLS-id_2198940,ZINC22_2747080	344.428	VWNYVRNKYYUNFN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-072453
c1(NC(=O)c2ccncc2)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_475703,PC-id_897899,EMOLS-id_1994111,CoCoCo_902568,MCULE-7995263359,TIMTEC86835	344.428	BUKHKDZHPNMRDX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-072454
c1(NC(=O)C=Cc2ccc(C)o2)sc2c(CCCCC2)c1C(=O)N	PC-id_896827,MCULE-8608792271	344.428	BPEFITAPUXTXOI-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-072455
c1(NC(=O)C=Cc2ccco2)sc2c(CCCCCC2)c1C(=O)N	PC-id_844206,MCULE-2294603696	344.428	UQTKZDWPMYFFKQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-072456
c1(NC(=O)COc2ccccc2)sc2c(CCCCC2)c1C(=O)N	NSC732524,CoCoCo_663328,MCULE-7805219645,EMOLS-id_1240203,PC-id_673340,ZINC22_35353	344.428	IAMSGEYJQQCJRC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072457
Cc1ccc(cc1)C(=O)/N=c/1sc2c(n1CC(=O)O)CCCCC2	SCHEMBL14807812,PC-id_71537011	344.428	SNXJEWYNWRXJIM-HNENSFHCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072458
Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)o1	EMOLS-id_25949648,CoCoCo_898229,PC-id_896828,ZINC22_474377,TIMTEC82076	344.428	BPEFITAPUXTXOI-MDZDMXLPSA-N	00000000101000000100000000000010000000000000000000000000	31-01-072459
Cc1ccc(o1)/C=CC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	CoCoCo_898230	344.428	BPEFITAPUXTXOI-KTKRTIGZSA-N	00000000101000000100000000000010000000000000000000000000	31-01-072460
Cc1c(C(=O)Nc2nc3c(s2)CCCCC3)oc2c1C(=O)CCC2	PC-id_45885248,MCULE-1817168456,EMOLS-id_30251142,GD-id_ZINC40089937,ZINC22_40089937	344.428	YDMKBKKBURWDID-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072461
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc2c(c1)OC(O2)(C)C	EMOLS-id_318925184	344.428	KEPUGMPPHRPGHA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-072462
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cc1)C1(O)COC1	EMOLS-id_319175169	344.428	BXGVWQSOAIJWAB-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-072463
C/C(=NNC(=O)c1cc2c(s1)CCCCC2)/c1c(cc(cc1)O)O	PC-id_135731450	344.428	ZKNBQDMMOSDIPS-YBFXNURJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072464
CC(=O)c1cccc(OCC(=O)Nc2nc3c(s2)CCCCC3)c1	PC-id_17488368,ZINC22_12893360,MCULE-8500120234,CoCoCo_4546153,EMOLS-id_15271495	344.428	SJEVGZOMBLUPMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072465
COc1ccccc1N(C)C(=O)CN1C(=O)CCCc2sccc12	MCULE-5988949019,PC-id_53584602,ZINC22_69591669,EMOLS-id_36358636	344.428	QWGQQBIZJJWHFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072466
Clc1ccc(C(=O)Nc2sc3CCCCCCc3c2C#N)cc1	PC-id_3531504	344.858	DNZRNQJUSIMHNP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072937
COc1cccc(c1O)/C=N/NC(=O)c1cc2c(s1)CCCCC2	PC-id_135731449	344.428	DCDRJMPRXYVMCF-YBFXNURJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072467
COC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1	PC-id_71890382,EMOLS-id_44539570,MCULE-6335395644,ZINC22_55515926	344.428	FIWMYMOAEFTXLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072468
COC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1	EMOLS-id_44534263,PC-id_71893101,ZINC22_46526638,MCULE-3988116326	344.428	INWQIAQYIFHDRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072469
N#Cc1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	PC-id_40435981,ZINC22_2750976,CoCoCo_5823350	344.428	FUDLCZYASOUKOC-CHWSQXEVSA-N	00000000100011000100000000000010000000000000000000000000	31-01-072470
N#Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_2750977,PC-id_40435983,CoCoCo_5823352	344.428	FUDLCZYASOUKOC-STQMWFEESA-N	00000000100011000100000000000010000000000000000000000000	31-01-072471
N#Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_5631049,PC-id_40551143,CoCoCo_5823353	344.428	FUDLCZYASOUKOC-OLZOCXBDSA-N	00000000100011000100000000000010000000000000000000000000	31-01-072472
N#Cc1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_5631052,PC-id_40551145,CoCoCo_5823351	344.428	FUDLCZYASOUKOC-QWHCGFSZSA-N	00000000100011000100000000000010000000000000000000000000	31-01-072473
NC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCCCC2	SPECS-id_AK-968/41925396,PC-id_844207,CoCoCo_896977,ZINC22_375442,EMOLS-id_25949264,TIMTEC485203	344.428	UQTKZDWPMYFFKQ-MDZDMXLPSA-N	00000000101000000100000000000010000000000000000000000000	31-01-072474
NC(=O)COc1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1	EMOLS-id_30659675,MCULE-6867392199,PC-id_18155435,ZINC22_48260399	344.428	ZXKMVJZEYOUDFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072475
O=C(c1ccc(cc1)C1(O)COC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_319236540	344.428	WRSIESNLELINJF-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-072476
O=C(c1coc2c1C(=O)CCC2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101195059	344.428	BLIBVPZDECSNQW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072477
O=C(c1sc2c(c1)CCCCCC2)Nc1cc2OCOc2cc1N	PC-id_119618277	344.428	AUJCRMQLKOVLBR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-072478
O=C(N1CCCCc2c1sc(n2)C)CCc1cccc2c1OCO2	MCULE-1927817897,EMOLS-id_319922451	344.428	UHFPBAORQCMORH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-072479
O=C(Nc1sc2c(c1C(=O)N)CCCCCC2)/C=Cc1ccco1	CoCoCo_896978	344.428	UQTKZDWPMYFFKQ-KTKRTIGZSA-N	00000000101000000100000000000010000000000000000000000000	31-01-072480
s1c2CCCCCc2cc1C(=O)NNC(=C1C(=CC(=O)C=C1)O)C	PC-id_8159666	344.428	CYYXJENUROVTEW-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-072481
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(O)c(OC)cc1	PC-id_78620875	344.428	KSDWKABBJUUGGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072482
s1c2CCCCCc2cc1C(=O)NNC=C1C(=O)C(=CC=C1)OC	PC-id_8159632	344.428	XCEFBAWEIYPMJR-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-072483
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(OC)cc1	PC-id_32723835	344.428	YVRAEJQROYAISR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072484
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OC)ccc1	PC-id_9301180	344.428	ZKAIQXGECKOTLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072485
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(OC)cccc1	PC-id_31845767	344.428	BRHIZHYTDFLFRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072486
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(nc1)C)C(=O)OC	PC-id_52598466	344.428	MFBRAZLTLYJBLO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-072488
s1c2c(CCCCC2)c(c1NC(=O)c1ccncc1)C(=O)OCC	PC-id_4652468	344.428	ITEWFPYYLZNVOH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-072489
s1c2c(CCCCC2)c(c1NC(=O)c1nc(ccc1)C)C(=O)OC	PC-id_55698013	344.428	CSBXNLBPGFKHIL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-072490
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=CC=CC)C#N	PC-id_5166199	344.428	JFVXIVCSHFWAPX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-072491
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/C=C/C)C#N	PC-id_6289226	344.428	JFVXIVCSHFWAPX-XPQLPGEHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-072492
s1c2c(CCCCC2)c(c1NC(=O)Nc1ccccc1)C(=O)OC	PC-id_3681951	344.428	ADILOEYXCASLNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072493
s1c2CCCCCCc2cc1C(=O)N(c1ccc([N+](=O)[O-])cc1)C	PC-id_52466842	344.428	DBZDRNGXURTOJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072494
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(O)ccc1	PC-id_8124244	344.428	ZOVLPMKWZLCIIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072495
s1c2CCCCCCc2cc1C(=O)NNC(=O)C=Cc1occc1	PC-id_85009906	344.428	ASNDPYKPHNLQBP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-072496
s1c2CCCCCCc2cc1C(=O)NNC(=O)/C=C/c1occc1	PC-id_9441631	344.428	ASNDPYKPHNLQBP-MDZDMXLPSA-N	00000000101000000100000000000010000000000000000000000000	31-01-072497
s1c2c(CCCCCC2)c(c1NC(=O)Nc1ccccc1)C(=O)O	PC-id_73347514	344.428	ZHJICYZALZNMKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072498
s1c2CCCCCCc2nc1NC(=O)c1ccc(cc1)C(=O)OC	PC-id_56021846	344.428	JEBPHFMFJIRZJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072499
s1c2CCCC(C(=NNc3ccc(OC)cc3)c2cc1)CC(=O)O	PC-id_10807414	344.428	VXRPBULJXSCQKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072500
s1c2CCCN(C(=O)c2cc1)CC(=O)NCc1ccc(OC)cc1	PC-id_53607707	344.428	RZDGTXMZKIASLZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072501
CCCCOC(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82097834,PC-id_70721277,MCULE-2061666540,EMOLS-id_44429275	344.43	MGYYABYOFZNBTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072502
CC[C@H](OC)C(=O)NCc1cc2n(n1)CCCN(S(=O)(=O)C)C2	PC-id_96574814,ZINC22_82107684	344.43	FFWFNJKTFSXCGA-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072503
CC[C@@H](OC)C(=O)NCc1cc2n(n1)CCCN(S(=O)(=O)C)C2	PC-id_96574815,ZINC22_82107685	344.43	FFWFNJKTFSXCGA-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072504
CCC(OC)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	MCULE-1307354744,EMOLS-id_44433405,PC-id_70732874	344.43	FFWFNJKTFSXCGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072505
CCNC(=NCc1ccc(cc1)F)NCc1nnc2n1CCCCC2	PC-id_111232275	344.43	VPDFKXXSWKDKNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072506
CCNC(=NCc1ccccc1F)NCc1nnc2n1CCCCC2	PC-id_111265783	344.43	XHWLQIPJBLWIOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072507
CCNC(=NCc1cccc(c1)F)NCc1nnc2n1CCCCC2	PC-id_111876657	344.43	LKMQIYBDMRCRJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072508
Clc1cc(C(=O)Nc2sc3CCCCCCc3c2C#N)ccc1	PC-id_4534682	344.858	ZPSUSJXJTIKSRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072938
CCOCCC(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_44426435,ZINC22_82092464,MCULE-3066487393,PC-id_70713124	344.43	ASUOIMSGHTXFHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072509
CCOCC(=O)N1Cc2ccnn2C[C@H](CCNS(=O)(=O)C)C1	ZINC22_248317832	344.43	NSJRPMGIDKLTOO-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072510
CCOCC(=O)N1Cc2ccnn2C[C@@H](CCNS(=O)(=O)C)C1	ZINC22_248317833	344.43	NSJRPMGIDKLTOO-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072511
CCOCC(=O)N1CC(CCNS(=O)(=O)C)Cn2nccc2C1	EMOLS-id_50372683	344.43	NSJRPMGIDKLTOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072512
CN=C(N(Cc1cccc(c1)F)C)NCc1nnc2n1CCCCC2	PC-id_111285585	344.43	KAWJVKAFYKKDNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072513
CN=C(N(Cc1ccc(cc1)F)C)NCc1nnc2n1CCCCC2	PC-id_111307106	344.43	DZHRXWVNTIUOTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072514
CN=C(NCc1ccc(cc1)F)NCCc1nnc2n1CCCCC2	PC-id_111231195	344.43	NKFCZHPCRKYERG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072515
CN=C(NCc1ccccc1F)NCCc1nnc2n1CCCCC2	PC-id_111264715	344.43	RKPWTZQRQSCYHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072516
CN=C(NCc1cccc(c1)F)NCCc1nnc2n1CCCCC2	PC-id_111876807	344.43	DBBIXBNMCUIXTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072517
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(c(c1)C)F	PC-id_111853496	344.43	GLSZABZINGYBLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072518
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(c(c1)F)C	PC-id_111845445	344.43	BZGXCLISOYXUQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072519
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccc(cc1)F	PC-id_111229563	344.43	GYFIWDBWSLKODV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072520
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccccc1F	PC-id_111361417	344.43	ZHFFKHURXWXYRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072521
CN=C(NCc1nnc2n1CCCCC2)NCCc1cccc(c1)F	PC-id_111395031	344.43	SBCFZOHHYAKUFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072522
COCCC(=O)N1Cc2ccnn2C[C@H](CCNS(=O)(=O)C)C1	ZINC22_247530069	344.43	OLFVCBTXZNKWGE-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072523
COCCC(=O)N1Cc2ccnn2C[C@@H](CCNS(=O)(=O)C)C1	ZINC22_247530075	344.43	OLFVCBTXZNKWGE-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072524
COCCC(=O)N1CC(CCNS(=O)(=O)C)Cn2nccc2C1	EMOLS-id_50373433	344.43	OLFVCBTXZNKWGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072525
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)NCCCc1ccccc1	PC-id_90625563	344.431	YJSFEEYCZJHQCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072526
c1coc(COCc2ncn3c2CN(Cc2nccs2)CCC3)c1	PC-id_97381688,ZINC22_96059035,EMOLS-id_46148361	344.431	SJZKEHHPGGQGRF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-072527
c1(C(=O)N)cnc2CN(C(=O)c3cc4c(CCCCC4)s3)CCn12	ZINC22_67694888,MCULE-6640367190,PC-id_56706488,EMOLS-id_36432564	344.431	BBQPTSPECRPDOL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072528
Cc1c(C2CC2)n[nH]c1NC(=O)CN1C(=O)CCCc2sccc12	PC-id_75370025,EMOLS-id_48230722,ZINC22_95393090,MCULE-6778131348	344.431	LIUHGWHBWWMREI-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-072529
CC1Cc2c(CN(C1)CCS(=O)(=O)c1ccc(cc1)C#N)cn[nH]2	PC-id_136560710	344.431	ZGFCSTMNWJJZRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072530
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(s1)NC(=O)C1CC1	EMOLS-id_318999643	344.431	ZGTRCRWPPNBXOU-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-072531
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(nc1)C(=O)N(C)C	EMOLS-id_319147283	344.431	FVUWIXZSVURYOP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-072532
Cc1nccc(n1)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_71892711,MCULE-8779876378,EMOLS-id_44534809	344.431	UCHVXAUBMRSUKE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-072533
Cc1ncc(nc1)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_33331712,PC-id_38004581,MCULE-2748339785	344.431	KCGYLBMQUIDDTC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-072534
CCCCNc1nc2c(s1)C(=O)N(Cc1ccccc1)CC(=O)N2	CHEMBL4584568,PC-id_142739071	344.431	OTCYDMSTNOBEHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072535
CC(C)C(=O)N1CCc2nc(C(=O)Nc3cccnc3)sc2CC1	ZINC22_96146925,PC-id_97442449,EMOLS-id_44303818	344.431	CRXPVKYJYQQESF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-072536
CC(C)C(=O)N1CCc2nc(C(=O)Nc3ccncc3)sc2CC1	PC-id_97442435,ZINC22_96146911	344.431	WQXXFNRZCWNZFB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-072537
CN(C)c1ccc(NC(=O)CN2C(=O)CCCc3sccc23)nc1	MCULE-6437204469,EMOLS-id_48230714,ZINC22_95393088,PC-id_75370023	344.431	JJVGEZGTQOMSRQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-072538
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)Nc1ccccc1	ZINC22_96147025,EMOLS-id_44304018,PC-id_97442549	344.431	MEYNPMSGIKFSFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072539
CNC(=O)c1nc2c(s1)CCN(CC2)C(=O)NCc1ccccc1	PC-id_97410605	344.431	JFSPZSQSWMCMAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072540
CNC(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-3877584718,EMOLS-id_320175935	344.431	IFBNCOGQXITNLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072541
N#CCc1ccc(cc1)CS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320246682,MCULE-2111953266	344.431	HTMGFTVORILUCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072542
NC(=O)NCc1ccc(cc1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319277916	344.431	DUKWSUZPNRCXDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072543
O=C1CCCN1Cc1ncn2c1CN(C(=O)c1cccs1)CCC2	PC-id_97519425,EMOLS-id_44370230,ZINC22_96259341	344.431	UBNYJMZIBVUTLJ-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072544
O=C1CCCN1C[C@H]1CN(C(=O)c2cccs2)Cc2nccn2C1	PC-id_97462895,ZINC22_96188457	344.431	KNPGQCBBARHHSB-ZDUSSCGKSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072545
O=C1CCCN1C[C@@H]1CN(C(=O)c2cccs2)Cc2nccn2C1	ZINC22_96188456,PC-id_97462894	344.431	KNPGQCBBARHHSB-CYBMUJFWSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072546
O=C1CCCN1C[C@@H]1CN(C(=O)c2ccsc2)Cc2nccn2C1	ZINC22_96188442,PC-id_97462880	344.431	QZZQXPNJEJXUND-CYBMUJFWSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072547
O=C1CCCN1C[C@H]1CN(C(=O)c2ccsc2)Cc2nccn2C1	ZINC22_96188443,PC-id_97462881	344.431	QZZQXPNJEJXUND-ZDUSSCGKSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072548
O=C(c1cnc([nH]c1=O)C1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_316676145	344.431	BIADINBNRAMGNX-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-072549
O=C(CN1CCCc2c(C1=O)ccs2)N[C@@H]1CCc2n(C1)ccn2	PC-id_95760806	344.431	YVVNFVITGOSRIO-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072550
O=C(CN1CCCc2c(C1=O)ccs2)N[C@H]1CCc2n(C1)ccn2	PC-id_95760807	344.431	YVVNFVITGOSRIO-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072551
O=C(CN1C(=O)CCCc2c1ccs2)NC1CCc2n(C1)ccn2	EMOLS-id_42884469,MCULE-5870288877,PC-id_72139222	344.431	MHJNWNQLBFPSSQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072552
O=C(CN1C(=O)CCCc2sccc12)N[C@@H]1CCc2nccn2C1	ZINC22_72270503,PC-id_95760168	344.431	MHJNWNQLBFPSSQ-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072553
O=C(CN1C(=O)CCCc2sccc12)N[C@H]1CCc2nccn2C1	ZINC22_72270504,PC-id_95760169	344.431	MHJNWNQLBFPSSQ-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072554
O=C(N1CCCCc2c1sc(n2)C)CNc1ccccc1C(=O)N	MCULE-6122954383,EMOLS-id_320095800	344.431	GCKYKPKQUNTYRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072555
O=C(N1CC(CN2CCCC2=O)Cn2ccnc2C1)c1cccs1	EMOLS-id_44326295	344.431	KNPGQCBBARHHSB-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072556
O=C(N1CC(CN2CCCC2=O)Cn2ccnc2C1)c1ccsc1	EMOLS-id_44326281	344.431	QZZQXPNJEJXUND-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072557
O=C(Nc1sc2c(c1C(=O)N)CCCNC2)Nc1ccc(cc1)C	PC-id_144599950	344.431	CWIONCJYBOVFJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072558
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=C(C)C)C)c1occc1	PC-id_74793093	344.431	FIINPPJPMOVNJM-UHFFFAOYSA-O	00000000101000000101000000000010000000000000000000000000	31-01-072559
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)CC=C(C)C)C)c1occc1	PC-id_42376330	344.431	FIINPPJPMOVNJM-CQSZACIVSA-O	00000000101000000101000000000010000000000000000000000000	31-01-072560
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)CC=C(C)C)C)c1occc1	PC-id_42376332	344.431	FIINPPJPMOVNJM-AWEZNQCLSA-O	00000000101000000101000000000010000000000000000000000000	31-01-072561
O=C(NNC(=O)c1cc2c(s1)CCCCC2)C=Cc1cnn(c1)C	EMOLS-id_44518278,MCULE-8824750539,PC-id_71901476	344.431	GOXWMBQAIBPSDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072562
s1c2CCCCCc2cc1C(=O)NNC(=O)c1n[nH]c(C2CC2)c1	PC-id_37675096	344.431	AYFWJFZGFCIJPV-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-072563
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1cn(nc1)C	PC-id_75365053	344.431	GOXWMBQAIBPSDO-BQYQJAHWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072564
s1c2CCCCCCc2nc1NC(=O)c1ccc(NC(=O)N)cc1	PC-id_60571891	344.431	PMLWIYVDTGDBPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072565
s1c2CCCN(CC(=O)NC3CCc4n(C3)ccn4)C(=O)c2cc1	PC-id_72139057	344.431	YVVNFVITGOSRIO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072566
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc(ccc1)C(=O)C	PC-id_7877360	344.431	YAESKACALLEGOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072567
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(cc1)C(=O)C	PC-id_7877515	344.431	VVXNPCVPUXSUIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072568
C1CCc2c(CC1)sc(c2C#N)/N=C/c1c[nH]c2c1cc(cc2)C#N	PC-id_137224988	344.433	MCOADJHYGATYKU-WYMPLXKRSA-N	00000000100000100100000001100010000000000000000000000000	31-01-072569
CN1CCCn2c(C1)cc(n2)C(=O)N[C@H](c1cn2c(n1)scc2)C	PC-id_95120505	344.435	LMSMVVOYGJTARG-NSHDSACASA-N	00000000100000000101000100000010000000000000000000000000	31-01-072570
CN1CCCn2c(C1)cc(n2)C(=O)N[C@@H](c1cn2c(n1)scc2)C	PC-id_95120506	344.435	LMSMVVOYGJTARG-LLVKDONJSA-N	00000000100000000101000100000010000000000000000000000000	31-01-072571
CN(C(=O)C1CCn2c(CC1)nnc2)Cc1c(C)nc2n1ccs2	MCULE-8445355645,EMOLS-id_319860614	344.435	FYYGQZZLIOXHLI-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-072572
COCCN(Cc1ncnc(c1)Nc1nc2c(s1)N=CCC=C2)C	PC-id_144345467	344.435	MOUDUSNFACLFBG-UHFFFAOYSA-N	00000000100000100111000000000010000000000000000000000000	31-01-072573
N#Cc1c(C)csc1NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319435783	344.435	SXRVFCYOIUXRJX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-072574
O=C(c1sc2c(c1)c(nn2C)C)NCc1nnc2n1CCCCC2	GD-id_ZINC41820988	344.435	UQSLMPCWXMFXIB-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-072575
s1c2n(cc(n2)C(NC(=O)c2nn3CCCN(Cc3c2)C)C)cc1	PC-id_50950166	344.435	LMSMVVOYGJTARG-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-072576
Cc1cc(/C=C/c2ccc(C(=O)O)cc2)c2-c1cc(ccc2C)C(C)C	CHEMBL107686,PC-id_23257842	344.446	LPVSNYIKEJTWOA-XYOKQWHBSA-N	00000010100000110110000000000010000000000000000000000000	31-01-072577
Cc1ccc(C(C)C)cc2-c1cc(c2C)/C=C/c1ccc(C(=O)O)cc1	PC-id_23257846,CHEMBL322077	344.446	FXDXAOINDREJGT-XYOKQWHBSA-N	00000010100000110110000000000010000000000000000000000000	31-01-072578
O=C(C(N1CCCc2c(C1)ccs2)c1ccc(cc1)F)NC1CC1	EMOLS-id_318123575	344.446	BDQNPSHLELOGQT-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-072579
OC(=O)c1ccc(C=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1	PC-id_74036492	344.446	LPVSNYIKEJTWOA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-072580
OC(=O)c1ccc(C=Cc2c(c3-c(c(ccc(C(C)C)c3)C)c2)C)cc1	PC-id_74036495	344.446	FXDXAOINDREJGT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-072581
C(c1c2-c(cc1)ccccc2)(c1c2-c(cc1)ccccc2)c1ccccc1	PC-id_15213347	344.448	LSAOHEWSONWSPH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-072582
CC1CCC(CC1)N1CC(CC1=O)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99372529	344.448	UOXQKEIHNLYUFQ-UHFFFAOYSA-N	00000010100010000100100000000010000000000000000000000000	31-01-072583
COCCC1CN(Cc2cc(OC)cc(OC)c2)Cc2cccn2C1	EMOLS-id_313836840	344.448	QBANWQCQYHBTAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072584
COCC[C@H]1CN(Cc2cc(OC)cc(OC)c2)Cc2cccn2C1	ZINC22_585095410	344.448	QBANWQCQYHBTAV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072585
COCC[C@@H]1CN(Cc2cc(OC)cc(OC)c2)Cc2cccn2C1	ZINC22_585095411	344.448	QBANWQCQYHBTAV-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072586
OCCCCONC(=O)Cc1ccc2-c(cc1)c(c(c2CC)N)CC	PC-id_141009978	344.448	HHQMUIACYBQCTP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072587
Cc1ccc2n1[C@@H](Cc1ccccc1)C(=O)N[C@H](C2)Cc1ccccc1	PC-id_101400838	344.449	NCZFDGIDLKVGNJ-UNMCSNQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072588
O=C1c2n(Cc3ccc(cc3)c3c(cccc3)C)c(nc2CCCC1)C	PC-id_20679656	344.449	UKSFUXDYVAJVHE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-072589
CCS(=O)(=O)CC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_64679939,EMOLS-id_36645976,PC-id_53536540,MCULE-9630933881	344.45	VBNHXRPQNYKHLB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-072590
O=C(C1(COC1)CS(=O)(=O)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_319173665	344.45	WXVMWQAEHMSNPF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072591
O=C(CCS(=O)(=O)C)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-9622077060,PC-id_45822129,EMOLS-id_44112507	344.45	FSXUXIAWNBBRCV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-072592
c12CN(CCCn1nc(CCC(=O)N1CCOCC1)c2)CC#CCC	PC-id_70778072,EMOLS-id_44449125,MCULE-6925741100,ZINC22_82156286	344.451	DBFOGDIMOMSCPB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072593
c12CN(CCCn1nc(CNC(=O)C1CCCC1)c2)C(=O)C1CCC1	PC-id_72934319,ZINC22_92045460,EMOLS-id_46095193,MCULE-5358895096	344.451	UUMDNQCOEYPJBJ-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-072594
c1(cc(oc1C)C)C(=O)NCc1cc2n(CCCN(CC(C)C)C2)n1	EMOLS-id_44443999,MCULE-8804628811,PC-id_70763336,ZINC22_82135145	344.451	SSWJYMBESUITQG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-072595
c1(C(O)C2CCC2)cc2n(CCCN(Cc3coc(C(C)C)n3)C2)n1	EMOLS-id_50541403,MCULE-1919640162,PC-id_90651576	344.451	UZJHKLRWYRVDKW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072596
c1coc(CN2Cc3nccn3C[C@H](COCCN3CCCC3)C2)c1	ZINC22_96066858,PC-id_97389193	344.451	PZAWDEQUVYACKT-QGZVFWFLSA-N	00000010101000000101000000000010000000000000000000000000	31-01-072597
c1coc(CN2Cc3nccn3C[C@@H](COCCN3CCCC3)C2)c1	ZINC22_96066859,PC-id_97389194	344.451	PZAWDEQUVYACKT-KRWDZBQOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-072598
c1(C(=O)NC2CCN(CC2)C(=O)C2CCC2)c2CCCCCc2[nH]n1	EMOLS-id_323253433,MCULE-2417966478	344.451	ASZJXQLFKZYGAC-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-072599
Cc1cc(CN2Cc3nccn3C[C@H](CN3CCOCC3)C2)oc1C	PC-id_97389336,ZINC22_96067008	344.451	HMQMRIFHGWSIEI-QGZVFWFLSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072600
Cc1cc(CN2Cc3nccn3C[C@@H](CN3CCOCC3)C2)oc1C	PC-id_97389337,ZINC22_96067009	344.451	HMQMRIFHGWSIEI-KRWDZBQOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072601
Cc1cc(CN2CC(CN3CCOCC3)Cn3ccnc3C2)oc1C	EMOLS-id_46160629	344.451	HMQMRIFHGWSIEI-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072602
CC1CC(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)C1	ZINC22_585110597	344.451	CXKUQQMVMYALIF-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-072603
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCC(CC1)NC(=O)C1CC1	MCULE-3954358122,EMOLS-id_320115841	344.451	CTKAUXKDBWEBAS-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-072604
CC1CN(Cc2c(C1)[nH]nc2)C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O	EMOLS-id_318882371	344.451	VJGYKHVWECSUDQ-RHBCBLIFSA-N	00000010100010000101100000000010000000000000000000000000	31-01-072605
Cc1noc(C)c1CN1Cc2ccnn2C[C@H](OCC2CCCC2)C1	ZINC22_252006402	344.451	OYKJUQNPSXQKPS-GOSISDBHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072606
Cc1noc(C)c1CN1Cc2ccnn2C[C@@H](OCC2CCCC2)C1	ZINC22_252006405	344.451	OYKJUQNPSXQKPS-SFHVURJKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072607
Cc1noc(C)c1CN1CC(Cn2nccc2C1)OCC1CCCC1	EMOLS-id_50019602	344.451	OYKJUQNPSXQKPS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072608
CCc1ccc(o1)CN1CC(CN2CCOCC2)Cn2c(C1)ncc2	PC-id_118747221,CHEMBL3553113	344.451	JHNKOFYUKVVEEP-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-072609
CC(C)c1nc(CN2CCCn3nc([C@@H](O)C4CCC4)cc3C2)co1	PC-id_100066073,ZINC22_221218488	344.451	UZJHKLRWYRVDKW-SFHVURJKSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072610
CC(C)c1nc(CN2CCCn3nc([C@H](O)C4CCC4)cc3C2)co1	ZINC22_221218422,PC-id_100066072	344.451	UZJHKLRWYRVDKW-GOSISDBHSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072611
CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)C13CC(C1)C3)CCC2	ZINC22_1565554525,EMOLS-id_313788984	344.451	UMKIMESQLBSPNF-UHFFFAOYSA-N	00001000100000000101001000000010000000000000000000000000	31-01-072612
CCCOc1ccc(CN(C)C2CCc3nn(C)c(=O)n3CC2)cc1	MCULE-9994066733,EMOLS-id_97041662	344.451	CGXMQFUBSPHMPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072613
C(CN1CCCC1)OCC1CN(Cc2ccco2)Cc2nccn2C1	EMOLS-id_46160475	344.451	PZAWDEQUVYACKT-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-072614
CCN(CC)CC1CN(Cc2ccnn2C1)C(=O)c1cc(C)oc1C	EMOLS-id_50371195	344.451	RRCMTUJJJCTFKW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-072615
CCN(CC)C[C@H]1CN(C(=O)c2cc(C)oc2C)Cc2ccnn2C1	ZINC22_247844562	344.451	RRCMTUJJJCTFKW-INIZCTEOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-072616
CCN(CC)C[C@@H]1CN(C(=O)c2cc(C)oc2C)Cc2ccnn2C1	ZINC22_247844566	344.451	RRCMTUJJJCTFKW-MRXNPFEDSA-N	00000000101000000101000000000010000000000000000000000000	31-01-072617
CCN(C)C(=O)c1cnn2c1CN(C(=O)[C@]1(C)CC=CCC1)CCC2	ZINC22_1565545897	344.451	NPBVGYNHCQAGDS-LJQANCHMSA-N	00000000100011000101000000000010000000000000000000000000	31-01-072618
CCN(C)C(=O)c1cnn2c1CN(C(=O)[C@@]1(C)CC=CCC1)CCC2	ZINC22_1614927391	344.451	NPBVGYNHCQAGDS-IBGZPJMESA-N	00000000100011000101000000000010000000000000000000000000	31-01-072619
CCN(C)C(=O)c1cnn2CCCN(Cc12)C(=O)C1(C)CCC=CC1	EMOLS-id_313767873	344.451	NPBVGYNHCQAGDS-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-072620
CN(Cc1ccco1)Cc1cnc2CCN(CC3CCOC3)CCn12	EMOLS-id_44329107	344.451	CFXPEONPRURWGL-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-072621
CN(Cc1ccco1)Cc1cnc2n1CCN(C[C@H]1CCOC1)CC2	PC-id_98777763,ZINC22_107212508	344.451	CFXPEONPRURWGL-MRXNPFEDSA-N	00000010101000000101000000000010000000000000000000000000	31-01-072622
CN(Cc1ccco1)Cc1cnc2n1CCN(C[C@@H]1CCOC1)CC2	ZINC22_96197093	344.451	CFXPEONPRURWGL-INIZCTEOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-072623
CN(C(C)C)Cc1ncn2c1CN(CCC2)C(=O)c1cc(oc1C)C	PC-id_97405446	344.451	NAJCSAZFXWJBNT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-072624
CN(C(=O)[C@@]12CC[C@@H](C1(C)C)CC2=O)Cc1nnc2n1CCCCC2	EMOLS-id_319120124	344.451	JEDUGIVAQUJNLB-YJYMSZOUSA-N	00000010100000000101000000000110000000000000000000000000	31-01-072625
COc1cccc(CNCc2nnc3n2CCCCC3)c1OC(C)C	CoCoCo_3923815,PC-id_45844200,MCULE-9415948082,ZINC22_39976548	344.451	UKDSIAMLKJUFLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072626
COc1cc(C)c(CN(C)Cc2nnc3n2CCCCC3)cc1OC	MCULE-5397208773,PC-id_100667133,EMOLS-id_53754128,ZINC22_225527658	344.451	PBYVQILSTJBEOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072627
COc1cc(CNCc2nnc3n2CCCCC3)ccc1OC(C)C	ZINC22_39976540,MCULE-6403068348,CoCoCo_3923811,PC-id_45844192	344.451	NRMMKNGYFDBZLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072628
O=C1CCCN1Cc1ncn2c1CN(C(=O)CC1CCCC1)CCC2	PC-id_97519481,EMOLS-id_44370342,ZINC22_96259397	344.451	ZLJWJJXZLNAZBF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072629
O=C([C@@]12CC[C@@H](C1(C)C)CC2=O)NCCc1nnc2n1CCCCC2	EMOLS-id_319583855	344.451	VKHADOXVAUMDEL-YJYMSZOUSA-N	00000010100000000101000000000110000000000000000000000000	31-01-072630
O=C(C1=CCCCC1)N1Cc2ccnn2CC[C@H]1CN1CCOCC1	ZINC22_585096770	344.451	COJDRPCLKASBDR-KRWDZBQOSA-N	00000000100011000101000000000010000000000000000000000000	31-01-072631
O=C(C1=CCCCC1)N1Cc2ccnn2CC[C@@H]1CN1CCOCC1	ZINC22_585096771	344.451	COJDRPCLKASBDR-QGZVFWFLSA-N	00000000100011000101000000000010000000000000000000000000	31-01-072632
OCCCCOc1ccccc1CNCc1nnc2n1CCCCC2	EMOLS-id_316381926,MCULE-5837333455	344.451	SWUMMBZDQKUZHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072633
O=C(Cn1nc2c(c1)C(=O)NCC(C2)(C)C)NCCC1=CCCCC1	EMOLS-id_318039271	344.451	GPMLRYDZTGMRDX-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-072634
O=C(N1Cc2ccnn2CCC1CN1CCOCC1)C1=CCCCC1	EMOLS-id_313817385	344.451	COJDRPCLKASBDR-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-072635
O=C(N1CCCc2c(C1)cnn2C)C1CN(C1)C(=O)C1CCCCC1	EMOLS-id_101680001	344.451	XUKFDJMJSLCOMG-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-072636
O=C(N1CC(CN2CCCC2=O)Cn2c(C1)ncc2)CC1CCCC1	PC-id_118739798	344.451	NMASPDHAAXNBQI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072637
O=C(N(C1CC1)C1CCCC1)Cn1cc2c(n1)CC(CNC2=O)(C)C	EMOLS-id_316433491,MCULE-6950657826	344.451	VXKFRKMWCAWCQP-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-072638
O=C(N[C@H]1CCN(C(=O)c2n[nH]c3c2CCCCC3)C1)C1CCCC1	ZINC22_937594231	344.451	BEVONBAJJSFVDJ-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072639
s1c2CCCCCc2c(c1NC(=O)CC[NH2+]Cc1occc1)C#N	PC-id_9508049	344.451	JLUACZOBDHRAGM-UHFFFAOYSA-O	00000000101000000100000000000010000000000000000000000000	31-01-072640
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](Cc1occc1)C)C#N	PC-id_25967893	344.451	SGIKSSRWWRNBFB-UHFFFAOYSA-O	00000000101000000100000000000010000000000000000000000000	31-01-072641
O=C(CSc1nnc2n1CCCCC2)N[C@@H]1CCS(=O)(=O)C1	CoCoCo_3081710,ZINC22_6097486,PC-id_7876923	344.453	JFTUCJIVIWSFGQ-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072642
O=C(CSc1nnc2n1CCCCC2)N[C@H]1CCS(=O)(=O)C1	PC-id_7876925,CoCoCo_3081711,ZINC22_6097489	344.453	JFTUCJIVIWSFGQ-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-072643
O=C(N1CCC(C1)S(=O)(=O)N)Nc1nc2c(s1)CCCCC2	EMOLS-id_110895376	344.453	RVKKGOVLUNCDOJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072644
O=C(NC1CCS(=O)(=O)C1)CSc1nnc2n1CCCCC2	PC-id_16358335,MCULE-6525555289,EMOLS-id_3699721	344.453	JFTUCJIVIWSFGQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072645
c1(NC(=O)CSc2ncccn2)sc2c(CCCCC2)c1C#N	PC-id_2365481,ZINC22_3248298,MCULE-1637706807,EMOLS-id_2547961,CoCoCo_1051265,TIMTEC337072	344.454	NNSKYCUFPYBCCB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-072646
c1(sc2c(CCCCC2)n1)NC(=O)c1cc([nH]n1)c1ccsc1	MCULE-3738929992,EMOLS-id_323357406	344.454	GSIXIHFUKBCNIR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-072647
c1(sc2c(CCCCC2)n1)NC(=O)c1csc(n2cccc2)n1	MCULE-9138714019,EMOLS-id_320503374	344.454	ZRJYEMLWFJGCQS-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-072648
c1(sc2c(CCCCC2)n1)NC(=O)c1[nH]nc(c2cccs2)c1	PC-id_55791120,EMOLS-id_323262155,MCULE-4858470254	344.454	LUFPJPVNAVOVQB-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-072649
Cc1nc2c(s1)N(CCCC2)C(=O)c1[nH]nc(c1)c1cccs1	EMOLS-id_319286213	344.454	LFYBCOGXUHUJOW-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-072650
C[N@H+](Cc1n[nH]c2c1CCCCC2)Cc1onc(n1)c1cccs1	GD-id_ZINC12447577,PC-id_25287656	344.454	ITPVJYIUKXOYJN-UHFFFAOYSA-O	00000000100100000101100000000010000000000000000000000000	31-01-072651
O=C(c1c[nH]nc1c1cscc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_100940451	344.454	VJSUKEPHVPOMFQ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-072652
O=C(N1CCCCc2c1sc(n2)C)Cc1cccc2c1nsn2	EMOLS-id_319879859,MCULE-5350240530	344.454	JZMHUTWGMAJGOZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-072653
c12CN(CCC)CCCn1nc(CNC(=O)CCc1cnn(C)c1)c2	EMOLS-id_44435547,MCULE-9463469219,PC-id_70739046,ZINC22_82109195	344.455	PRFTWIYFXKZZQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072654
c12CN(CCC)CCCn1nc(CNC(=O)C(CC)n1cccn1)c2	PC-id_70724471,EMOLS-id_44430425,MCULE-8847204744	344.455	YMBQFPHJQIVGKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072655
c12CN(CCCn1nc(C#N)c2)C(=O)CCC(C)N1CCN(CC1)C	EMOLS-id_177425597,MCULE-2182504213	344.455	LZJBOJPXCSIFQI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072656
c12CN(CCCn1nc(CNC(=O)Cn1c(C)ccn1)c2)CC(C)C	EMOLS-id_44439469,PC-id_70750204,MCULE-1759804579,ZINC22_82120939	344.455	FPOWORHXVGMWCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072657
c12CN(CCCn1nc(CNC(=O)Cn1ccc(C)n1)c2)CC(C)C	MCULE-5741488761,EMOLS-id_44432863,ZINC22_82107118,PC-id_70731393	344.455	ULZONTXVSHECJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072658
c1(C(O)C2CCN(CC2)Cc2cc3n(CCCNC3)n2)nccn1C	EMOLS-id_43063134,PC-id_56883539,MCULE-9600610699	344.455	VOQQLBSLDXLREW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072659
c1(C(=O)NCc2cc3n(CCCNC3)n2)cc(nn1CC)CC(C)C	PC-id_74244906,EMOLS-id_49669098,MCULE-2645645040,ZINC22_97696214	344.455	YKFWVGQGKUCBLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072660
c1(C(=O)NCCc2c(C)n[nH]c2C)cc2n(CCCN(C(C)C)C2)n1	PC-id_50950257,ZINC22_67460258,MCULE-4214087132,EMOLS-id_32372060	344.455	LYBFTISVJCEUEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072661
c1(C(=O)NC(C)Cc2cc(n[nH]2)C)cc2n(CCCN(C(C)C)C2)n1	PC-id_50985248,EMOLS-id_32438070,MCULE-3870582031	344.455	PITFCZFUHDJYGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072662
c1(n(C)nc(CC)c1C)NC(=O)N(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_68895185,PC-id_118772641,MCULE-5383419472,ZINC22_299781605	344.455	DVIWSJFZSLAHSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072663
CC1Cc2nnc(COCC3CC3)n2CCN1Cc1cc(C)nn1C	EMOLS-id_313826853	344.455	BDVPNNMSCLIUNR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-072664
CC1Cc2nnc(COCC3CC3)n2CCN1Cc1cnn(C)c1C	EMOLS-id_313826085	344.455	ADDUEOYJDLWZIT-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-072665
CC1Cc2nnc(COCC3CCC3)n2CCN1Cc1cc(C)n[nH]1	EMOLS-id_313744826	344.455	BQSFWKRPHJMTOM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072666
Cc1cc(C[C@@H](C)NC(=O)c2cc3n(n2)CCCN(C(C)C)C3)[nH]n1	ZINC22_71776970,PC-id_95563852	344.455	PITFCZFUHDJYGP-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072667
Cc1cc(C[C@H](C)NC(=O)c2cc3n(n2)CCCN(C(C)C)C3)[nH]n1	ZINC22_71776971,PC-id_95563853	344.455	PITFCZFUHDJYGP-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072668
Cc1cc(CN2Cc3ccnn3CCC2CN2CCOCC2)n(C)n1	EMOLS-id_313815594	344.455	XIJDQZHPLZYCSL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072669
Cc1cc(CN2Cc3ccnn3CC[C@H]2CN2CCOCC2)n(C)n1	ZINC22_585098386	344.455	XIJDQZHPLZYCSL-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072670
Cc1cc(CN2Cc3ccnn3CC[C@@H]2CN2CCOCC2)n(C)n1	ZINC22_585098387	344.455	XIJDQZHPLZYCSL-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072671
Cc1cc(CN2CCn3c(COCC4CC4)nnc3C[C@@H]2C)n(C)n1	ZINC22_585096818	344.455	BDVPNNMSCLIUNR-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-072672
Cc1cc(CN2CCn3c(COCC4CC4)nnc3C[C@H]2C)n(C)n1	ZINC22_585096820	344.455	BDVPNNMSCLIUNR-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-072673
Cc1cc(CN2CCn3c(COCC4CCC4)nnc3C[C@@H]2C)n[nH]1	ZINC22_585096849	344.455	BQSFWKRPHJMTOM-AWEZNQCLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072674
Cc1cc(CN2CCn3c(COCC4CCC4)nnc3C[C@H]2C)n[nH]1	ZINC22_585096856	344.455	BQSFWKRPHJMTOM-CQSZACIVSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072675
Cc1c(CN2Cc3ccnn3CCC2CN2CCOCC2)cnn1C	EMOLS-id_313818921	344.455	MEACICVAHINXQD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072676
Cc1c(CN2Cc3ccnn3CC[C@H]2CN2CCOCC2)cnn1C	ZINC22_585097473	344.455	MEACICVAHINXQD-KRWDZBQOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072677
Cc1c(CN2Cc3ccnn3CC[C@@H]2CN2CCOCC2)cnn1C	ZINC22_585097475	344.455	MEACICVAHINXQD-QGZVFWFLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072678
Cc1c(CN2CCn3c(COCC4CC4)nnc3C[C@H]2C)cnn1C	ZINC22_585096776	344.455	ADDUEOYJDLWZIT-CYBMUJFWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-072679
Cc1c(CN2CCn3c(COCC4CC4)nnc3C[C@@H]2C)cnn1C	ZINC22_585096777	344.455	ADDUEOYJDLWZIT-ZDUSSCGKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-072680
Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)c1nnc2n1CCCCC2	PC-id_95159111,ZINC22_65611033	344.455	JVGRYPIUKGVBOZ-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072681
Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1nnc2n1CCCCC2	ZINC22_65611035,PC-id_95159112	344.455	JVGRYPIUKGVBOZ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072682
Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1nnc2n1CCCCC2	ZINC22_65440204,PC-id_53504931,EMOLS-id_35718538,MCULE-3052292289	344.455	GZXKFWOONIMINK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072683
Cc1noc(C)c1CN1CCN(Cc2nnc3n2CCCCC3)CC1	EMOLS-id_35692714,PC-id_53504019,ZINC22_42596706,MCULE-8310271772	344.455	UHKORIPJFOGDCI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072684
CCc1nccc(n1)CN1CCCn2c(C1)cc(n2)C(CN(C)C)O	MCULE-5955557359,EMOLS-id_50527587,PC-id_90647821	344.455	SSWHVYDUXPKAEM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-072685
CCc1nccc(n1)CN1CCCn2c(C1)cc(n2)[C@H](CN(C)C)O	PC-id_100018153	344.455	SSWHVYDUXPKAEM-KRWDZBQOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-072686
CCc1nccc(n1)CN1CCCn2c(C1)cc(n2)[C@@H](CN(C)C)O	PC-id_100018155	344.455	SSWHVYDUXPKAEM-QGZVFWFLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-072687
CC(C)c1nccn1C(C)C(=O)N1CCc2nnc(C(C)C)n2CC1	EMOLS-id_48433274,MCULE-4100061517,PC-id_72862394	344.455	AZUJFEKVGOKTGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072688
CC(C)c1nccn1[C@@H](C)C(=O)N1CCc2nnc(C(C)C)n2CC1	ZINC22_95504583,PC-id_97272577	344.455	AZUJFEKVGOKTGY-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072689
CC(C)c1nccn1[C@H](C)C(=O)N1CCc2nnc(C(C)C)n2CC1	ZINC22_95504584,PC-id_97272578	344.455	AZUJFEKVGOKTGY-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072690
CCC(c1nnc2n1CCCCC2)NC(=O)Cn1ccnc1C(C)C	EMOLS-id_320011174,MCULE-9454125801	344.455	KMVJTWDPNQPNNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072691
CCCN1CCCn2nc(CNC(=O)[C@H](CC)n3cccn3)cc2C1	PC-id_96573777,ZINC22_82098817	344.455	YMBQFPHJQIVGKV-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072692
CCCN1CCCn2nc(CNC(=O)[C@@H](CC)n3cccn3)cc2C1	ZINC22_82098815,PC-id_96573776	344.455	YMBQFPHJQIVGKV-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072693
CCCNc1ncc(CN2CCCn3nc(cc3C2)C(O)CC)cn1	EMOLS-id_50547775,PC-id_90653300,MCULE-1978782816	344.455	IKVIBJLDTMDLJX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-072694
CCCNc1ncc(CN2CCCn3nc([C@H](O)CC)cc3C2)cn1	ZINC22_221383378,PC-id_100067580	344.455	IKVIBJLDTMDLJX-QGZVFWFLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-072695
CCCNc1ncc(CN2CCCn3nc([C@@H](O)CC)cc3C2)cn1	ZINC22_221383438,PC-id_100067581	344.455	IKVIBJLDTMDLJX-KRWDZBQOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-072696
CC(C)N(C)Cc1nnc2CN(CCCn12)C(=O)CCc1ccc[nH]1	ZINC22_2055715654,EMOLS-id_313731795	344.455	AVLRWZWYDSUTHM-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-072697
C[C@@H](CCC(=O)N1CCCn2nc(C#N)cc2C1)N1CCN(C)CC1	ZINC22_584892986	344.455	LZJBOJPXCSIFQI-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072698
C[C@H](CCC(=O)N1CCCn2nc(C#N)cc2C1)N1CCN(C)CC1	ZINC22_584892988	344.455	LZJBOJPXCSIFQI-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072699
CCNC(=NCc1ccco1)NCCCc1nnc2n1CCCCC2	PC-id_110938008	344.455	BUCSMFBCAHSNQV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-072700
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s1c2CCCCCc2nc1NC(=O)CCCc1ccc(OC)cc1	PC-id_56212009	344.471	NNZXBAYWTZKJPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072746
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s1c2CCCCCCc2cc1C(=O)NCc1c(cc([nH]c1=O)C)C	PC-id_8243839	344.471	NWBHSPARHAXFRN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-072748
c1(C(=O)NCc2cc3n(CCCNC3)n2)cc2c(CCCCC2)s1	PC-id_70724300,EMOLS-id_44430359,MCULE-1411829952,ZINC22_82098735	344.474	NDECAQHKAKMPCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072749
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Cc1ccc(CN2CC(CN3CCCC3=O)Cn3ccnc3C2)s1	EMOLS-id_44326257	344.474	SWSGRRQLGGHUTE-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072756
Cc1cc(C)c(NC(=O)CSc2nnc3n2CCCCC3)c(C)c1	ZINC22_6098303,EMOLS-id_3456307,CoCoCo_3082157,MCULE-7263787175,PC-id_4801176	344.474	NASIDOHXZUMLID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072757
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1C1CC1	EMOLS-id_3678166,PC-id_7877534,ZINC22_6098350,MCULE-1704072969,CoCoCo_3082171	344.474	BHOVEDNETUPCQO-UHFFFAOYSA-N	00100000110000000101100000000010000000000000000000000000	31-01-072758
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Cc1ccsc1C(=O)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_96188383,PC-id_97462822	344.474	DQXYZHCBDAIIQF-OAHLLOKOSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072760
Cc1ccsc1C(=O)N1CCc2ncc(CN3CCCC3)n2CC1	CHEMBL3552098,PC-id_97467011,ZINC22_96196867,EMOLS-id_44328667	344.474	PQPCNYGZIQOCHW-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072761
Cc1ccsc1C(=O)N1CC(CN2CCCC2)Cn2ccnc2C1	EMOLS-id_44326223	344.474	DQXYZHCBDAIIQF-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072762
Cc1ccsc1C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	PC-id_97519385,ZINC22_96259301,EMOLS-id_44370146	344.474	AEBQWIDQAOAKGC-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072763
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1csc(n1)C1CCCCC1	EMOLS-id_318976538	344.474	NHLYVPAZBUFXAQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072764
Cc1csc(c1)C(=O)N1CC(CN2CCCC2)Cn2ccnc2C1	EMOLS-id_313723101	344.474	MUXXDPJUEXHACD-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072765
Cc1csc(C(=O)N2Cc3nccn3C[C@H](CN3CCCC3)C2)c1	ZINC22_1565551378	344.474	MUXXDPJUEXHACD-HNNXBMFYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072766
Cc1csc(C(=O)N2Cc3nccn3C[C@@H](CN3CCCC3)C2)c1	ZINC22_1614932901	344.474	MUXXDPJUEXHACD-OAHLLOKOSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072767
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnn(c1)C1CCCCC1	EMOLS-id_318810187	344.474	BDGDFQAJBXGSRP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072768
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Cc1nc(n(n1)C1CN(C1)C(=O)c1sc2c(c1)CCCCCC2)C	EMOLS-id_98054639	344.474	MVCWXHZHFZIYHM-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-072772
Cc1[nH]nc(n1)C1CCCN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_110878032	344.474	PEFCQMOFXUKJKE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072773
Cc1[nH]nc(n1)C1CCN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_101670764	344.474	RTQXSUSJUBRDFY-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-072774
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CC(C)N(C(=O)CSc1nc2n(n1)CCCCC2)c1ccccc1	PC-id_4186301,ZINC22_390134,MCULE-4946027602	344.474	YLEPKLHCUYEXNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072780
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C[C@@H]1CCc2c(C(=O)NCc3nnc4n3CCCCC4)csc2C1	PC-id_51926932,CoCoCo_4336649,ZINC22_40012907	344.474	QBAPGIFDSCGUFF-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072783
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C[C@@H](c1ccccc1)N(C)C(=O)CSc1nnc2n1CCCCC2	CoCoCo_3854812,ZINC22_8539028,PC-id_40763211	344.474	UEWOJUNHAQNVMU-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072785
C[C@H](c1ccccc1)N(C)C(=O)CSc1nnc2n1CCCCC2	ZINC22_8539032,PC-id_40763213,CoCoCo_3854811	344.474	UEWOJUNHAQNVMU-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072786
C[C@@H](NC(=O)c1csc2c1CCCC2)c1nnc2n1CCCCC2	ZINC22_29255564	344.474	PSIAOMFFDWXTGR-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072787
C[C@H](NC(=O)c1csc2c1CCCC2)c1nnc2n1CCCCC2	ZINC22_29255569	344.474	PSIAOMFFDWXTGR-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072788
C[C@H](NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_8324964,CoCoCo_3081923,PC-id_9450502	344.474	SNVHMHFSQRZOGP-UONOGXRCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072789
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N(C)Cc1ccccc1	PC-id_7877050,CoCoCo_3081800,ZINC22_6097681	344.474	LSXNFRUJACEXPZ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072790
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N(C)Cc1ccccc1	ZINC22_6097684,PC-id_7877052,CoCoCo_3081801	344.474	LSXNFRUJACEXPZ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072791
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N[C@H](C)c1ccccc1	CoCoCo_3081921,PC-id_9450505,ZINC22_8324968	344.474	SNVHMHFSQRZOGP-KGLIPLIRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072792
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N[C@H](C)c1ccccc1	ZINC22_8324966,PC-id_9450503,CoCoCo_3081924	344.474	SNVHMHFSQRZOGP-ZIAGYGMSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072793
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N[C@@H](C)c1ccccc1	ZINC22_8324967,PC-id_9450504,CoCoCo_3081922	344.474	SNVHMHFSQRZOGP-KBPBESRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072794
CCN(c1ccc(cn1)C(=O)N1CCCCc2c1sc(n2)C)CC	EMOLS-id_319848704	344.474	HPVYUBPASNITCF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-072795
CCN(C(=O)Nc1sc2c(n1)CCCCCC2)Cc1ccccn1	EMOLS-id_101103719	344.474	GRGOMLGAKPXZSW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-072796
CCN(C(=O)Nc1sc2c(n1)CCCCCC2)Cc1ccncc1	EMOLS-id_101098463	344.474	KPWYVOSUEPNIHH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-072797
CN1CCn2c(C1)cc(n2)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_316732681	344.474	MAJCLOCJQAWKSX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072798
Cn1cnnc1C1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	ZINC22_30653828,MCULE-4569992742,PC-id_37787614,EMOLS-id_36266495	344.474	MHGWXYRQFZEUAI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072799
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CSc1ccc(CC(=O)N2CCc3nnc(C(C)C)n3CC2)cc1	ZINC22_12160137,CoCoCo_1156389,EMOLS-id_20418242,MCULE-5168938270,PC-id_42436820,SCHEMBL16099699	344.474	FKJGPTRGQNDKGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072801
CSCc1cccc(c1)C(=O)NC(c1nnc2n1CCCCC2)C	EMOLS-id_45749417,MCULE-2220136076,PC-id_71897666	344.474	AHGARCFXVBPVAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072802
CSCc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)c1	PC-id_94069838,ZINC22_45897482	344.474	AHGARCFXVBPVAQ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072803
CSCc1cccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)c1	ZINC22_45897483,PC-id_94069839	344.474	AHGARCFXVBPVAQ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072804
CSC(C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2)C	PC-id_121547565,EMOLS-id_75977207,MCULE-3141386720	344.474	RBCMCOZPYIGTHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072805
CS[C@@H](C)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1	ZINC22_185814943	344.474	RBCMCOZPYIGTHO-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072806
CS[C@H](C)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1	ZINC22_185814965	344.474	RBCMCOZPYIGTHO-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072807
O=C(c1cc2c(s1)CCCCC2)N1CCCC(CC1)n1nncc1	EMOLS-id_316347383,MCULE-4331894102	344.474	BJLINTIGMAEQGB-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-072808
O=C(c1cc2c(s1)CCCCCC2)N1CCC[C@H]1Cn1ccnn1	MCULE-5026638445,ZINC22_329012993,EMOLS-id_98354233	344.474	IXAPCFOCRSPRPI-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072809
O=C(c1ccsc1)N1Cc2ccnn2C[C@@H](CN2CCCCC2)C1	ZINC22_247874064	344.474	SGKKVIHGECOCLS-HNNXBMFYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-072810
O=C(c1ccsc1)N1Cc2ccnn2C[C@H](CN2CCCCC2)C1	ZINC22_247874066	344.474	SGKKVIHGECOCLS-OAHLLOKOSA-N	00000000100110000101000000000010000000000000000000000000	31-01-072811
O=C(c1ccsc1)N1CCc2ncc(CN3CCCCC3)n2CC1	ZINC22_96196891,EMOLS-id_44328715,PC-id_97467035	344.474	ZBHKUPAPYBAVCW-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-072812
O=C(c1cnc2n1CCCCC2)N1CCC(CC1)Cc1nccs1	EMOLS-id_320245811,MCULE-5939996030	344.474	SBDSUYUIZFSMNA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-072813
O=C(c1csc2c1CCCC2)NC(c1nnc2n1CCCCC2)C	EMOLS-id_35688580,PC-id_53504200,MCULE-1052740106	344.474	PSIAOMFFDWXTGR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072814
O=C(c1sc2c(c1)CCCCCC2)NC1CC(C1)Cn1ccnn1	EMOLS-id_318951476	344.474	HBEKTHUMVWHGQW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-072815
O=C(c1sc2c(c1)CCCCCC2)N[C@@H]1C[C@H](C1)Cn1ncnc1	MCULE-1441836022,EMOLS-id_320208833	344.474	DCMKOSBTSVZLJS-CTYIDZIISA-N	00001000100000000101000000000010000000000000000000000000	31-01-072816
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O=C(CC1CC1)NCc1cnc2n1CCN(CC2)Cc1cccs1	PC-id_97467182	344.474	TYQSGWKMCAOHME-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-072818
O=C(Cc1cccs1)N1CCCn2cnc(CN3CCCC3)c2C1	EMOLS-id_44370148,ZINC22_96259302,PC-id_97519386	344.474	NERLEYLOHQVLDC-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072819
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)C1CC1)C	CoCoCo_3082172,CoCoCo_3082175	344.474	GHLXDUICJPYHOM-WJDWOHSUSA-N	00100000110000000101100000000010000000000000000000000000	31-01-072820
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)C1CC1)C	CoCoCo_3082174,CoCoCo_3082173	344.474	GHLXDUICJPYHOM-LFIBNONCSA-N	00100000110000000101100000000010000000000000000000000000	31-01-072821
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O=C(N1CCCc2c(C1)cnn2C)c1csc(n1)C1CCCCC1	EMOLS-id_101680022	344.474	HJJAOGBVTKVUQA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072824
O=C(N1CCCC(C1)n1ccnn1)c1sc2c(c1)CCCCCC2	EMOLS-id_102132139	344.474	RSLJVUNWTFQVIE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072825
O=C(N1CCCn2c(C1)c(nc2)CN1CCCC1)Cc1cscc1	PC-id_97410150	344.474	OVNNMJYUMZELFW-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-072826
O=C(N1CC(CN2CCCCC2)Cn2nccc2C1)c1ccsc1	EMOLS-id_50373665	344.474	SGKKVIHGECOCLS-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-072827
O=C(N1CCNCC1c1nccn1C)c1cc2c(s1)CCCCC2	PC-id_120879934,EMOLS-id_302864558,MCULE-2768454972	344.474	XCHLXRAAWZHHME-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072828
O=C(N(C(c1ccccc1)C)C)CSc1nnc2n1CCCCC2	MCULE-7628099476,PC-id_17475628,EMOLS-id_43906705	344.474	UEWOJUNHAQNVMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072829
O=C(NCc1cnc2CCN(Cc3cccs3)CCn12)C1CCC1	PC-id_97467202,ZINC22_96197058,EMOLS-id_44329041	344.474	OGHCSGBMEPTTEF-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-072830
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O=C(NC(c1nnc2n1CCCCC2)C)CSc1ccccc1C	EMOLS-id_36263440,MCULE-2573968341,PC-id_53523885	344.474	XPFDUEDCSCBGFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072832
O=C(NCCc1nnc2n1CCC2)c1cc2c(s1)CCCCCC2	MCULE-1976151498,EMOLS-id_43641867,PC-id_71941867,ZINC22_75836451	344.474	PGADWPRLKLBHTH-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-072833
O=C(NCCc1nnc2n1CCCCC2)c1csc2c1CCCC2	EMOLS-id_30750757,PC-id_47017162,ZINC22_48366943,MCULE-6496514286	344.474	XOPLTTPGOPYSHE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072834
PCCCc1cn(c2c1C=C(C(NC1CC1)C)C(C=C2)CC)CC	PC-id_118457758,SCHEMBL17189079	344.474	CTFSKJVOGITPQU-UHFFFAOYSA-N	00100000100000000110000000000010000000000000000000000000	31-01-072835
P(=Nc1nc2-c(c1)ccccc2)(CCCC)(CCCC)CCCC	PC-id_86173716	344.474	BQNMHNFHASLTDB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072836
s1c2CCC(Cc2cc1C(=O)NCc1n2CCCCCc2nn1)C	PC-id_51266305	344.474	BLGGCQTZOHMSEE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072837
s1c2c(CCCCC2)cc1C(=O)N1CC(CCC1)c1n(cnn1)C	PC-id_51077913	344.474	HOTSVFBHHRUNPZ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-072838
s1c2CCCCCc2cc1C(=O)NCc1n2CCCCCc2nn1	PC-id_51266256	344.474	PMFIVVXFMNJYRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072839
s1c2CCCCCc2nc1NC(=O)c1ccc(N(CC)CC)nc1	PC-id_56124672	344.474	UJUJHGASYJXGGD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-072840
s1c2CCCCCCc2nc1NC(=O)/C=C/c1c(n(nc1C)C)C	PC-id_56036362	344.474	PNWABYOCRUIUIP-ZHACJKMWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072841
s1c2CCCCCCc2nc1NC(=O)C=Cc1c(n(nc1C)C)C	PC-id_76295445	344.474	PNWABYOCRUIUIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072842
S(c1n2CCCCCc2nn1)C(C(=O)Nc1ccc(CC)cc1)C	PC-id_46792354	344.474	LDGGDGDDEYCNBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072843
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(CCC)cc1	PC-id_43036574	344.474	XQYAOLVMZJZWPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072844
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S(c1n2CCCCCc2nn1)CC(=O)NCC(c1ccccc1)C	PC-id_78559226	344.474	IOEGXPHDUSMUFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072847
S(c1n2CCCCCc2nn1)CC(=O)NCCc1c(cccc1)C	PC-id_8379441	344.474	CHGUXFRERYYBQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072848
S(c1n2CCCCCc2nn1)CC(=O)NCCCc1ccccc1	PC-id_7877509	344.474	KNYLWOITIGCIGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072849
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S(c1n2CCCCCc2nn1)[C@H](C(=O)Nc1ccc(CC)cc1)C	PC-id_7876659	344.474	LDGGDGDDEYCNBQ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072853
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S(CC(=O)NCc1n2CCCCCc2nn1)Cc1ccc(cc1)C	PC-id_51266302	344.474	ZDIWVCUDVOGPGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072855
Cc1sc2n(c1)c(c(n2)C)CNCCc1nnc2n1CCCCC2	EMOLS-id_42961236,MCULE-8089365421,PC-id_72045088	344.478	HHCPVAORKBJVDG-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-072856
CO[Si](c1ccc2-c1ccccc2)(c1ccc2-c1ccccc2)OC	PC-id_139893941	344.478	JUXGKSKTXBIWOH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072857
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CC(C)(NS(=O)(=O)C)C(=O)NCc1cc2c(s1)CCCCC2	EMOLS-id_49050527,MCULE-5942974838,ZINC22_96426325,PC-id_84584764	344.493	VMYMLIDWLAILLH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-072862
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O=C(N1C2CC(CC(C2)(C)C)(C1)C)CCc1nn2c(c1)CNCCC2	PC-id_77919782	344.494	ACCZMYJLFGLUAW-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-072872
O=C(N(C1CC1)Cc1[nH+]ccn1C)c1sc2c(c1)CCCCCC2	GD-id_ZINC47237535	344.494	JDBPQVKPKLCERA-UHFFFAOYSA-O	00100000100000000101000000000010000000000000000000000000	31-01-072873
O=C(NCc1cnc2CCN(CC3CCCCC3)CCn12)C1CCC1	EMOLS-id_313780424,ZINC22_2055772630	344.494	HJGKYVKPMCYDQP-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-072874
CCN(C1CCS(=O)(=O)C1)Cn1nc2n(c1=S)CCCCC2	EMOLS-id_13471082,PC-id_17447743,MCULE-4217699141	344.496	BAMGOFWRPVJDTH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072875
CCN(Cn1nc2n(c1=S)CCCCC2)[C@@H]1CCS(=O)(=O)C1	CoCoCo_4204145,CoCoCo_4204143,ZINC22_24013785,PC-id_9242327	344.496	BAMGOFWRPVJDTH-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072876
CCN(Cn1nc2n(c1=S)CCCCC2)[C@H]1CCS(=O)(=O)C1	PC-id_9242335,CoCoCo_4204144,ZINC22_24013787,CoCoCo_4204146	344.496	BAMGOFWRPVJDTH-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-072877
Cc1cc(c2csc(Cc3nnc4n3CCCCC4)n2)c(C)s1	MCULE-4579784744,ZINC22_14070869,CoCoCo_4212429,PC-id_17432569,EMOLS-id_49984572	344.498	XGLKMVIJUCSBKV-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-072878
CCNC(=NCc1nnc2n1CCCCC2)N1CC2C(C1)CCCC2	PC-id_109441881	344.498	VWNYZYLJOOQAIT-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-072879
CCNC(=NCc1nnc2n1CCCCC2)NCCC1=CCCCC1	PC-id_111208989	344.498	PZGGQQGZYACLKX-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-072880
CN=C(N1CC2C(C1)CCCC2)NCCc1nnc2n1CCCCC2	PC-id_109444167	344.498	UTOCYBNPNJHBEK-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-072881
CN=C(NCCc1nnc2n1CCCCC2)NCCC1=CCCCC1	PC-id_111208374	344.498	VOFJDTVODJFVNB-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-072882
N(C1CCCCC1)C(=NCc1n2CCCCCc2nn1)N1CCCC1	PC-id_53599924	344.498	LQFLECYTGLMGSW-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-072883
c1(NC(=O)CCC2CCCCC2)sc2c(CCCCCC2)c1C#N	CoCoCo_5818096,TIMTEC287846,MCULE-8965638983,EMOLS-id_4023575,ZINC22_483682,PC-id_903478	344.514	LKQXHPLSQQLROE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-072884
C1CCn2c(CC1)nnc2CCCN1CCC(CC1)c1cccs1	SCHEMBL7957416,PC-id_59939374	344.517	HXUQPWTWCDIOOX-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-072885
Cc1ccc(SCCCN(C)Cc2cc3n(n2)CCCNC3)cc1	MCULE-1755716148,PC-id_56889990,EMOLS-id_43089531,ZINC22_72140151	344.517	CFAIYUUQEATNIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072886
S=c1n2CCCCCc2nn1CN(Cc1ccc(C(C)C)cc1)C	PC-id_8221526	344.517	UTYFIZBYEVJQGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072887
Cc1c(/N=C/N2CC3(CC2CC(C3)(C)C)C)sc2c1CCCCC2	SCHEMBL19593701	344.557	NYCDJJMULCKYDU-HYARGMPZSA-N	00000010100010000100000000000110000000000000000000000000	31-01-072888
Cc1c(sc2c1CCCCC2)N=CN1CC2(CC1CC(C2)(C)C)C	PC-id_91261949	344.557	NYCDJJMULCKYDU-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-072889
Clc1c(cc(NCc2n3CCCCCc3nn2)cc1)C(F)(F)F	PC-id_7566160	344.763	DYTWVBVZEXQIDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072890
Clc1c(NCc2n3CCCCCc3nn2)cc(cc1)C(F)(F)F	PC-id_7566150	344.763	KBPJIDUHTDQIEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072891
O=C1NCCCc2occ(C(=O)N3CC(c4ccc(Cl)cc4)C3)c12	MCULE-3507548384,EMOLS-id_316967392,ZINC22_899155007	344.792	NCLKOTFHDYBDHL-UHFFFAOYSA-N	00001000100000110100100000000010000000000000000000000000	31-01-072892
Clc1cc2c(oc(C(=O)NCc3n4CCCCCc4nn3)c2)cc1	PC-id_51266373	344.795	KRWLGKRPWIEBBD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-072893
Clc1ccc2n(c1)cc(n2)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100950573	344.795	NWZHWVKQFXQGGZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-072894
ClC1=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=C(OC)C1=O	PC-id_16358768	344.795	BIGASZGWCFWKJP-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-072895
ClC1=C/C(=C/C(=C/2N3CCCCCC3=NN2)/C#N)/C=C(OC)C1=O	PC-id_42911391	344.795	BIGASZGWCFWKJP-AYWUYTOOSA-N	00000011000011000111000000000010000000000000000000000000	31-01-072896
COc1c(c(cc(c1)C=C(C#N)c1nnc2n1CCCCC2)Cl)O	MCULE-2271178254,PC-id_136217837,EMOLS-id_26092995	344.795	ZHSNOGUIGGWONJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072897
COc1c(c(cc(c1)/C=C(C#N)/c1nnc2n1CCCCC2)Cl)O	PC-id_135623474,CoCoCo_3456480,GD-id_ZINC09532640	344.795	ZHSNOGUIGGWONJ-KPKJPENVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072898
N#C/C(=C/c1cc(Cl)c(c(c1)OC)O)/c1nnc2n1CCCCC2	CoCoCo_3456481	344.795	ZHSNOGUIGGWONJ-GHXNOFRVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072899
c1(C(=O)NCc2cc3n(CCCNC3)n2)cn2c(ccc(Cl)c2)n1	MCULE-3372123537,ZINC22_82138432,PC-id_70768870,EMOLS-id_44445937	344.799	FFBSAQPLKCHPIQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-072900
Cc1c(C(=O)N[C@H]2CCc3nnnn3CC2)[nH]c2c(Cl)cccc12	ZINC22_333658781	344.799	AVDAVWJOUDZMHZ-JTQLQIEISA-N	00000000100000100101000001100010000000000000000000000000	31-01-072901
Cc1c(C(=O)N[C@@H]2CCc3nnnn3CC2)[nH]c2c(Cl)cccc12	ZINC22_333658783	344.799	AVDAVWJOUDZMHZ-SNVBAGLBSA-N	00000000100000100101000001100010000000000000000000000000	31-01-072902
Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1CCc2nnnn2CC1	ZINC22_333660047	344.799	AYWWOMHVNYFHGJ-LLVKDONJSA-N	00000000100000100101000001100010000000000000000000000000	31-01-072903
Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H]1CCc2nnnn2CC1	ZINC22_333660049	344.799	AYWWOMHVNYFHGJ-NSHDSACASA-N	00000000100000100101000001100010000000000000000000000000	31-01-072904
Clc1ccc2c(c1)c(C(=O)NC1CCn3c(CC1)nnn3)c([nH]2)C	EMOLS-id_102181092,MCULE-6493861026	344.799	AYWWOMHVNYFHGJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-072905
Clc1ccc2n(c1)c(CNC(=O)c1cnc3n1CCCCC3)nn2	EMOLS-id_316666332	344.799	XBQPLJBJWBPOPX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-072906
Clc1ccc2n(c1)c(NC(=O)C1CCn3c(CC1)nnc3)c(n2)C	MCULE-2348209905,EMOLS-id_257971699	344.799	MCHKRFGZZMNSOY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-072907
O=C(c1c(Cl)c2c(n1C)cccc2)NC1CCc2n(CC1)nnn2	EMOLS-id_102164551	344.799	NKRRPCHEJHKOEZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-072908
O=C(c1[nH]c2c(c1C)cccc2Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102175388,MCULE-6949704325	344.799	AVDAVWJOUDZMHZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-072909
CSc1nc(c(c(n1)Cl)C(=O)N)Nc1cc2-c(ccccc2)c1	PC-id_88569521,SCHEMBL10126692	344.819	HVNZVIUMGGVNIF-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-072910
Cn1cnc(S(=O)(=O)NCc2nnc3n2CCCCC3)c1Cl	PC-id_45813932,CoCoCo_4841629,ZINC22_40511323,EMOLS-id_31906338,MCULE-5424112117,GD-id_ZINC40511323	344.82	DJBQVUVFZDFNRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072911
Clc1nc2sccn2c1C=C(c1n2CCCCCc2nn1)C#N	MCULE-5759636940,PC-id_72078903,EMOLS-id_26138812	344.822	JRNIHGVQYRKZNN-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-072912
Clc1nc2sccn2c1/C=C(/c1n2CCCCCc2nn1)C#N	PC-id_8863135,CoCoCo_3559571	344.822	JRNIHGVQYRKZNN-CSKARUKUSA-N	00000000100000000101000100000010000000000000000000000000	31-01-072913
N#C/C(=C/c1c(Cl)nc2n1ccs2)/c1nnc2n1CCCCC2	CoCoCo_3559572	344.822	JRNIHGVQYRKZNN-NTMALXAHSA-N	00000000100000000101000100000010000000000000000000000000	31-01-072914
C1CCN(c2c(C1)occ2)C(=O)c1ccccc1C1CCN(C1)Cl	SCHEMBL8365313,PC-id_88286781	344.835	CFTBXJGTAAZZJR-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-072915
Clc1c(C2CCNC2)cccc1C(=O)N1CCCCc2occc12	PC-id_67565208,SCHEMBL8365315	344.835	FULQLCHKUARJLN-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-072916
Clc1cc(ccc1C(=O)N1CCCCc2c1cco2)N1CCCC1	PC-id_67565209,SCHEMBL8365317	344.835	OVALQYDTAPXXBV-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-072917
ClCCCCn1c2c(C(=O)CCN(C2=O)Cc2ccccc2)cc1	SCHEMBL9041354,PC-id_10783687	344.835	MARDVXLIYFBPFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072918
Clc1c(C2C(C2)C(=O)NCc2n3CCCCCc3nn2)cccc1	MCULE-8499132614,EMOLS-id_35691728,PC-id_53508576	344.839	VFWREEBNOPLMFU-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-072919
Clc1cccc(c1)C1(CCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316619872	344.839	NAEOWZPXLBHYIX-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-072920
Clc1ccc(cc1)C1(CCC1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-6181893299,EMOLS-id_320288616	344.839	NIVOEYAJUKHFSP-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-072921
Clc1ccc(cc1)C1CCCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319440239	344.839	RZBFLEJGPLTPPA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-072922
Clc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101712011	344.839	QFMPWZFLQNRAAG-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-072923
Clc1ccc(/C=C/C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51307438	344.839	RAOSFMQIVXKCCL-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072924
Clc1ccc(C=CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_75625034	344.839	RAOSFMQIVXKCCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072925
O=C(C1CCn2c(CC1)nnc2)NCC1(CC1)c1ccccc1Cl	EMOLS-id_316667989	344.839	QZKZBYTVCPZQBH-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-072926
O=C(N1CCCC1c1ccccc1Cl)C1CCn2c(CC1)nnc2	MCULE-3110873733,EMOLS-id_319885450	344.839	RUUVOBYCCSCLEE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-072927
O=C(N1CCCc2c(C1)cnn2C)NC1CCc2c1cccc2Cl	EMOLS-id_101724009	344.839	BOZQPGWHIDOHLT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-072928
O=C(NCc1nnc2n1CCCCC2)C1(c2cccc(Cl)c2)CC1	EMOLS-id_320296694,ZINC22_44603481,MCULE-2020042510	344.839	RSWHLMTYLRNNJP-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-072929
O=C(NCc1nnc2n1CCCCC2)[C@H]1C[C@@H]1c1ccccc1Cl	PC-id_95140538,ZINC22_65489261	344.839	VFWREEBNOPLMFU-KGLIPLIRSA-N	00100000100000110101100000000010000000000000000000000000	31-01-072930
O=C(NCc1nnc2n1CCCCC2)[C@@H]1C[C@H]1c1ccccc1Cl	PC-id_95140539,ZINC22_65489266	344.839	VFWREEBNOPLMFU-UONOGXRCSA-N	00100000100000110101100000000010000000000000000000000000	31-01-072931
O=C(NCc1nnc2n1CCCCC2)[C@@H]1C[C@@H]1c1ccccc1Cl	PC-id_95140541,ZINC22_65489270	344.839	VFWREEBNOPLMFU-ZIAGYGMSSA-N	00100000100000110101100000000010000000000000000000000000	31-01-072932
O=C(NCc1nnc2n1CCCCC2)[C@H]1C[C@H]1c1ccccc1Cl	ZINC22_65489257,PC-id_95140537	344.839	VFWREEBNOPLMFU-KBPBESRZSA-N	00100000100000110101100000000010000000000000000000000000	31-01-072933
Clc1nc(Sc2n3CCCCCc3nn2)sc1C(=O)OC	PC-id_60844741	344.84	UTTBVJBLYATEQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072934
Clc1c2-c(c(S(=O)(=O)c3ccccc3)c1)c(cc(cc2C)C)C	PC-id_85930383	344.855	IXYVVNDLVXEULP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-072935
Clc1c(C(=O)Nc2sc3CCCCCCc3c2C#N)cccc1	PC-id_4110257	344.858	FTFBWKAOPPUBHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-072939
Clc1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)cc1	MCULE-7608115157,ZINC22_3235898,CoCoCo_3697595,PC-id_2353706	344.862	JSFATXXNPXBLCX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-072940
ClCc1c2-c(ccc(CCc3cc(c4-c(cc3)ccc4)C)c1)ccc2	PC-id_10617471	344.877	DZIDMUHRCFGZOL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072941
C1=CN(C2=C1C=CI=C=C2)CC(CC(=O)O)O	PC-id_149080729	344.986	QQGWIJBBBILSGC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-072942
BrC(Br)C(=O)c1c2-c([nH]c1=O)ccccc2	PC-id_85517833	344.987	CECALZMLBNJODV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-072943
CC(C)(C)OC(=O)NCC1CCN2C=C(N=C2CO1)Br	PC-id_165367358	345.069	XOSRSIREIGNPRR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072944
Ic1n[nH]c2c1CN(CCC2)CC(F)(F)F	PC-id_117611724,SCHEMBL16123831	345.103	GCIWPVWIOZMUJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-072945
CC1=NOC2=C1CC(CN(C2)C(=O)O)NC(=O)OCC3=CC=CC=C3	PC-id_155145955	345.132	JONFCBKSBVHOMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072946
CC1=NOC2=C1C[C@@H](CN(C2)C(=O)O)NC(=O)OCC3=CC=CC=C3	PC-id_155145953	345.132	JONFCBKSBVHOMA-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072947
CC1=NOC2=C1CN(CC(C2)NC(=O)OCC3=CC=CC=C3)C(=O)O	PC-id_155145919	345.132	ORNOTEDQHDAPQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072948
CC1=NOC2=C1CN(C[C@H](C2)NC(=O)OCC3=CC=CC=C3)C(=O)O	PC-id_155145918	345.132	ORNOTEDQHDAPQD-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072949
[N-]=[N+]=NC1CCc2c(NC1=O)c(c(n2C)I)C	SCHEMBL19031569	345.14	HZCOBNLBRKOYAO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-072950
COC(=O)N1CCC2=CC(=NN2CC1)C(=O)N3CCC4=NNN=C4C3	PC-id_154467696	345.155	RRNOHLFGIBGWMR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072951
COC(=O)N1CCC2=NC(=CN2CC1)C(=O)N3CCC4=NNN=C4C3	PC-id_153320972	345.155	QYBZWYFMVMPPAA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-072952
CC(C1=c2c(=CC(C=C1)(C)C)on(c2=O)I)C	PC-id_138533244,SCHEMBL20886719	345.176	NESKYBZMVYRADM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-072953
C1CCC2=NN=C(N2CC1)C(=O)N3CC[C@]45[C@H]3CC(=O)N4CCCO5	MCULE-6391894704,PC-id_154822774,ZINC22_1857728529,EMOLS-id_324305788	345.18	FUROOFPLVCQCCE-PXAZEXFGSA-N	00000010100010000101000000000010000000000000000000000000	31-01-072954
CCOC(=O)C1=CC=C(C=C1)CC2(CCCCCC3=C2N=NN3C)F	PC-id_153571863	345.185	UDDLVCOYJKVOSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072955
c12cc([nH]c1C(=O)NCCC2(OCC)C(=O)OCC)Br	CNP0396607,CMNPD25180	345.189	XMAXDKHEKBQGSH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-072956
CCO[C@]1(CCNC(=O)c2c1cc([nH]2)Br)C(=O)OCC	UNPD228130	345.189	XMAXDKHEKBQGSH-ZDUSSCGKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-072957
O=C(c1coc2c1C(=O)NCC(C2)(C)C)NC1CC(C1)(Cl)Cl	EMOLS-id_318837009	345.221	RHJPMZXDTMNVHG-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-072958
CCOC(CNC1=NCCc2cc(nn2C1)Br)OCC	PC-id_135343565,SCHEMBL20517945	345.235	HFAGRNXCDUEHOT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-072959
N#Cc1ccc(c(c1)Br)CN1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319809196	345.237	JVFXDGHJXHTWHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072960
N#Cc1ccc(c(c1)CN1CC(C)Cc2c(C1)cn[nH]2)Br	EMOLS-id_319894850,MCULE-8743040367	345.237	WTYQIIBHHJGOKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-072961
C/C/1=CCCCCc2c(/C=N1)sc(c2I)C	SCHEMBL19097718	345.242	WHHOIRZYCNKPGV-BUEOZKIHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-072962
O=C(NCc1nnc2n1CCCCC2)c1cc(Cl)sc1Cl	ZINC22_48299157,GD-id_ZINC48299157,EMOLS-id_30688030,PC-id_47014562,MCULE-4527539140	345.247	ZULPBHLUUOAMJI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-072963
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CCCCc1c2-c(c(c1C)OC(=O)OCC)ccc(cc2)C(=O)NO	SCHEMBL8526943	345.39	BMCPAEZVYDZJJK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-073047
CCCCCc1cc(c2-c1cc(ccc2)C(=O)NO)OC(=O)OCC	SCHEMBL8332751	345.39	KLOUWRJPOGVRAS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-073048
CCOC(=O)Oc1c2-c(c(c1C)CC(C)C)ccc(cc2)C(=O)NO	PC-id_88317204,SCHEMBL8526422	345.39	ORWSNEVABZEHED-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-073049
CCOC(=O)Oc1cc(c2-c1cccc(c2)C(=O)NO)CCC(C)C	SCHEMBL8470508	345.39	ZGAXEQPHAWSXKI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-073050
Cc1cc2sc(NC(=O)N3CCCc4occc4C3)nc2cc1F	EMOLS-id_177195056,MCULE-6706811342,ZINC22_585083927	345.391	IAXBBLKRLPPOHM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073051
o1c2CCN(CCc2cc1)C(=O)c1ccc(cc1)C(=O)c1ccccc1	PC-id_19600153,SCHEMBL8439332	345.391	CFVSRTOABBWAQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073052
o1c2CN(CCCc2cc1)C(=O)c1ccc(cc1)C(=O)c1ccccc1	SCHEMBL8436205,PC-id_19599881	345.391	ODHYTXHKRZKURI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073053
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(c(O)c1)OC	PC-id_56899167,EMOLS-id_43127309,MCULE-1614447706,ZINC22_72431259	345.393	PSYYGYPXAUAKGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073054
c12cnn(C)c1CCCN(C(=O)c1cc(OC)c(c(OC)c1)OC)C2	LEG-19035184,CoCoCo_446468,PC-id_46955987,ZINC22_19289652,MCULE-6462277521,EMOLS-id_360458	345.393	OVWZKWXZNIXASS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073055
c1(C(=O)Nc2cc(OC)c(c(OC)c2)OC)c2CCCCCc2n[nH]1	MCULE-3551721443,ZINC22_96223728,EMOLS-id_50402839,PC-id_75489018,EMOLS-id_49246026,STOCK7S-45747	345.393	OUIFZDMPNWLCPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073056
c1(C(=O)OC)cc2n(CCCN(Cc3ccccc3OCCO)C2)n1	MCULE-8854670455,ZINC22_65459902,PC-id_50974486,EMOLS-id_32417984	345.393	DRPGUMLGVRGNTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073057
Cc1ccc(OCC(=O)N2CCCn3nc(cc3C2)C(O)CO)cc1	EMOLS-id_50547885,MCULE-5921425239,PC-id_90653332	345.393	DWASKCFCSUTVMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073058
Cc1ccc(OCC(=O)N2CCCn3nc([C@H](O)CO)cc3C2)cc1	PC-id_100067612,ZINC22_221386580	345.393	DWASKCFCSUTVMG-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073059
Cc1ccc(OCC(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)cc1	PC-id_100067613,ZINC22_221386629	345.393	DWASKCFCSUTVMG-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073060
CCOc1ccccc1OCc1nnc2n1CCC(CC2)C(=O)OC	MCULE-1156929712,EMOLS-id_316955713	345.393	VBIOXCZSPVJDOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073061
CCOc1ccccc1OCc1nnc2n1CC[C@H](C(=O)OC)CC2	ZINC22_601045317	345.393	VBIOXCZSPVJDOI-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073062
CCOc1ccccc1OCc1nnc2n1CC[C@@H](C(=O)OC)CC2	ZINC22_601045318	345.393	VBIOXCZSPVJDOI-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073063
COc1ccccc1CC(=O)N1CCCn2nc(cc2C1)C(O)CO	PC-id_90649270,EMOLS-id_50532907,MCULE-4144112853	345.393	BOHGHUNPRNEQEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073064
COc1ccccc1CC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1	ZINC22_219604902,PC-id_100044292	345.393	BOHGHUNPRNEQEK-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073065
COc1ccccc1CC(=O)N1CCCn2nc([C@H](O)CO)cc2C1	ZINC22_219604984,PC-id_100044294	345.393	BOHGHUNPRNEQEK-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073066
COc1c(ccc(c1OC)OC)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319684345	345.393	NFHRDEVJXUEUKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073067
COc1cc(CC(=O)N2CC(C)Cc3c(C2)cn[nH]3)cc(c1O)OC	EMOLS-id_318952262	345.393	ULYIPTSGJOZXHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073068
COc1coc(cc1=O)CN1CCCn2c(C1)cc(n2)[C@H](C1CC1)O	PC-id_100091649	345.393	HBXZJXWUIZNXOU-SFHVURJKSA-N	00100000100000100101000000000010000000000000000000000000	31-01-073069
COc1coc(cc1=O)CN1CCCn2c(cc(n2)C(C2CC2)O)C1	PC-id_91782750	345.393	HBXZJXWUIZNXOU-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-073070
n1c(C(CO)O)cc2CN(CCCn12)C(=O)CCOc1ccccc1	PC-id_91784698,EMOLS-id_55673453,MCULE-2920025936	345.393	HDMGPSKOZBZOPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073071
OC1(CCCCCc2n(nnc12)CCO)Cc1ccc(cc1)C(=O)O	SCHEMBL12253345,PC-id_11660225	345.393	ITMZPBRWRNSMLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073072
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OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)CCOc1ccccc1)O	PC-id_99981287	345.393	HDMGPSKOZBZOPX-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073077
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)CCOc1ccccc1)O	PC-id_99981292	345.393	HDMGPSKOZBZOPX-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073078
OCCOc1cc(ccc1OC)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-2310856930,EMOLS-id_319852681	345.393	NJYPQDZYQPBVIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073079
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Nc1cccc(c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)c1	CHEMBL1796993,PC-id_56673585	345.394	RHEYYHQITACUSX-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-073081
O=C1c2c([nH]c(Cc3ccc(cc3)c3cc(N)ccc3)c2)C(=O)NCC1	PC-id_56970241	345.394	RQRZKAYLONCHBS-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-073082
O(C(=O)C(Nc1nc2-c(c1C#N)ccccc2)Cc1ccccc1)CC	PC-id_10360198	345.394	FZTRQDJSHZEPFG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-073083
Fc1ccc2c(c1)c(C)c(s2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102162724	345.395	CHRJFKPHKYMGGY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073084
Fc1ccc(c2nc(CSc3nnc4n3CCCCC4)no2)cc1	PC-id_38854776,MCULE-7744145059,EMOLS-id_35685664,ZINC22_31633867	345.395	RFDDYZJGKPPQHW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-073085
O=C(c1sc2c(c1C)c(F)ccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102168115	345.395	TUPNQDGQLUDOKT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073086
S(c1n2CCCCCc2nn1)Cc1onc(n1)c1ccc(F)cc1	PC-id_8320252	345.395	RNESPEFNLKQGSM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-073087
c12CN(CCCn1nc(CO)c2)C(=O)CCc1c(C)nc(nc1C)O	PC-id_91784516,MCULE-1154114121,EMOLS-id_55672915	345.396	ZTAJVTAHYPDEEL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073088
c1(cc(nn1C)CCC)C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	EMOLS-id_32435218,MCULE-1509832988,PC-id_50983658,ZINC22_65528465	345.396	DMAJXSQSRQYDSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073089
c1(c(C)n[nH]c1C1CC1)C(=O)N1CCCn2c(cc(n2)C(CO)O)C1	EMOLS-id_55691887,MCULE-4071374638,PC-id_91791030	345.396	QUJPMDQDXUPKPK-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-073090
c1(cn2c(CCNCC2)n1)C(=O)N1C[C@H]([C@H](Cc2cc(no2)C)C1)O	ZINC22_1857739416,EMOLS-id_330452311,MCULE-7362497328	345.396	SHKLQRIQDQBVOU-IUODEOHRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073091
c1(c[nH]nc1CCC)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	MCULE-3406147870,PC-id_70771780,EMOLS-id_43162012,ZINC22_72474370	345.396	NUPAXXASQYUGQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073092
c1(C(=O)N2C[C@@H]([C@H](Cc3cc(no3)C)C2)O)nnc2CCCCCn12	EMOLS-id_317334344,PC-id_135111609,MCULE-9272447607,ZINC22_1704298766	345.396	KDNYTPHTEOZVLV-OCCSQVGLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073093
c1(C(=O)NCc2cc3n(CCCN(C(=O)C)C3)n2)oc(nc1C)CC	EMOLS-id_44449541,ZINC22_82156962,PC-id_70779264,MCULE-3599162760	345.396	SSOAAQJPSYOVNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073094
c1(C(=O)N[C@H]2COC[C@H]2Cc2cc(no2)C)cn2c(CCNCC2)n1	ZINC22_1857738449,MCULE-2850515645,EMOLS-id_330457948	345.396	IHVWCEZLYZVZDO-DOMZBBRYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073095
c1(C(=O)N[C@H]2COC[C@H]2Cc2cc(no2)C)nnc2CCCCCn12	EMOLS-id_49163186,MCULE-5926284747,ZINC22_96151742,PC-id_72896586	345.396	ZLNZLJLEIOSVJI-OCCSQVGLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073096
c1(C(=O)OC)cc2n(CCCN(C(=O)CCc3[nH]nc(C)c3C)C2)n1	EMOLS-id_32369384,PC-id_50948894,MCULE-8385780316,ZINC22_67431921	345.396	PMPHZKHLOZAZJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073097
Cc1c(ccc(c1OC)OC)CNC(=O)C1CCc2nnnn2CC1	EMOLS-id_316991152,PC-id_136566254,MCULE-6275618941	345.396	QKFJRTVXMLPOIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073098
Cc1cc(C)c(CNC(=O)Cn2nc3n(c2=O)CCCCC3)c(=O)[nH]1	MCULE-2254704601,ZINC22_32426215,EMOLS-id_35696726,PC-id_39644619	345.396	WTNYMJASLLOFSC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073099
Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCOCC2)no1	ZINC22_585097165	345.396	IEDMJPPQLOZVIL-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073100
Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCOCC2)no1	ZINC22_585097168	345.396	IEDMJPPQLOZVIL-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073101
Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCOCC2)on1	ZINC22_585098435	345.396	YIFIKBGGHBGWKZ-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073102
Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCOCC2)on1	ZINC22_585098436	345.396	YIFIKBGGHBGWKZ-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073103
Cc1cc(C(=O)N2Cc3nccn3C[C@H](CN3CCOCC3)C2)no1	ZINC22_106951256,PC-id_98769726	345.396	FIPLDZIGMORPCT-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073104
Cc1cc(C(=O)N2Cc3nccn3C[C@@H](CN3CCOCC3)C2)no1	ZINC22_106951259,PC-id_98769727	345.396	FIPLDZIGMORPCT-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073105
Cc1cc(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)no1	ZINC22_96196913,EMOLS-id_44328757,PC-id_97467057	345.396	OLDIDZPQRGOGFP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073106
Cc1cc(no1)C(=O)N1Cc2ccnn2CCC1CN1CCOCC1	EMOLS-id_313816362	345.396	IEDMJPPQLOZVIL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073107
Cc1cc(no1)C(=O)N1CC(CN2CCOCC2)Cn2ccnc2C1	EMOLS-id_44326351	345.396	FIPLDZIGMORPCT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073108
Cc1cc(on1)C(=O)N1Cc2ccnn2CCC1CN1CCOCC1	EMOLS-id_313815849	345.396	YIFIKBGGHBGWKZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073109
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CN1C(=O)NC(C1=O)(C)C1CC1	EMOLS-id_319252484	345.396	FPLANZVVSFNBNQ-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-073110
Cc1cn(CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)c(=O)[nH]c1=O	EMOLS-id_49878690,MCULE-5148938810,PC-id_77085564,ZINC22_215516920	345.396	MXLIIERYYLCTDS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073111
Cc1ncoc1C(=O)N1Cc2ccnn2CCC1CN1CCOCC1	EMOLS-id_313816105	345.396	MTAXXDCZLJPQIV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073112
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCOCC1	ZINC22_585097578	345.396	MTAXXDCZLJPQIV-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073113
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCOCC1	ZINC22_585097579	345.396	MTAXXDCZLJPQIV-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073114
Cc1noc(C)c1CC(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922548,EMOLS-id_50590151,MCULE-7964794890	345.396	PLXYMVHYMNDQAZ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-073115
Cc1noc(C)c1Cn1nc2CCC(CCn2c1=O)C(=O)NC1CC1	EMOLS-id_207876770,MCULE-1273778632	345.396	KWMHUYFZLUDWOW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-073116
Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2n[nH]c3c2CCCCC3)n1	MCULE-2570179656,EMOLS-id_316071835,ZINC22_347458452	345.396	YHVGIADCWFOPFC-BMIGLBTASA-N	00000000100010000101100000000010000000000000000000000000	31-01-073117
Cc1noc([C@H]2CN(C(=O)c3n[nH]c4c3CCCCC4)C[C@@H](C)O2)n1	EMOLS-id_316129625,MCULE-8604345386,ZINC22_628862979	345.396	SHJJPPOZNDTZGO-QMTHXVAHSA-N	00000000100010000101100000000010000000000000000000000000	31-01-073118
Cc1noc(n1)CN1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100957065	345.396	XVHPFVDCVGUEHC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073119
Cc1onc(n1)CN1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111930118	345.396	LTPAOQKALNHJKM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073120
CC(C)COCC1CCn2nccc2CN1C(=O)c1cc(O)ncn1	EMOLS-id_313742007,PC-id_137212869	345.396	NWFMVJVGJZUYCY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073121
CC(C)COC[C@@H]1CCn2nccc2CN1C(=O)c1cc(O)ncn1	PC-id_137186393,ZINC22_585097618	345.396	NWFMVJVGJZUYCY-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073122
CC(C)COC[C@H]1CCn2nccc2CN1C(=O)c1cc(O)ncn1	ZINC22_585097619,PC-id_137186394	345.396	NWFMVJVGJZUYCY-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073123
CCOc1cccc(c1)CNC(=O)NCc1nnc2n1CCOCC2	MCULE-7789794953,EMOLS-id_316751538	345.396	NXQUZOIVFAGBJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073124
CCOc1ccc(cc1NC(=O)N1CCCn2c(C1)cc(n2)N)OC	EMOLS-id_319260232	345.396	QGXCXRJNQUVHTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073125
CCOc1cc(ccc1OC)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319783053	345.396	AEYZNQSVDDSRQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073126
CCOc1ccc(cc1OC)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319942524,MCULE-9915720763	345.396	QIJVXIRXIGPQLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073127
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)C(=O)c1ocnc1C	EMOLS-id_50590542,PC-id_91922725	345.396	GIPKVSNGTZYIPP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-073128
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COc1ccc(CNC(=O)[C@H]2CCc3nnnn3CC2)c(C)c1OC	ZINC22_886029910	345.396	QKFJRTVXMLPOIA-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073133
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COCCOc1ccc(cn1)CNC(=O)C1CCn2c(CC1)nnc2	MCULE-8350816942,EMOLS-id_320235749	345.396	KCCKTVVFBKUUME-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073136
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OC[C@@H](c1nn2c(c1)CN(CCC2)CC(=O)NCc1ccccn1)O	PC-id_99987873	345.396	UNWLCOGNOGEWQN-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073149
OC[C@H](c1nn2c(c1)CN(CCC2)CC(=O)NCc1ccccn1)O	PC-id_99987876	345.396	UNWLCOGNOGEWQN-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073150
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1c(C)[nH]nc1C1CC1)O	PC-id_99989981	345.396	QUJPMDQDXUPKPK-AWEZNQCLSA-N	00100000100000000101100000000010000000000000000000000000	31-01-073151
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1c(C)[nH]nc1C1CC1)O	PC-id_99989986	345.396	QUJPMDQDXUPKPK-CQSZACIVSA-N	00100000100000000101100000000010000000000000000000000000	31-01-073152
O=C(N(Cc1n[nH]c2c1CCCCC2)C)c1n(c(=O)n(c(=O)c1)C)C	PC-id_72843021	345.396	KHYPLOUAACJSNX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073153
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o1c(nc(/C=C(c2n3CCCCCc3nn2)/C#N)c1)c1ccc(cc1)C	PC-id_75534232	345.398	ZGRSAFRGZYKTAD-WJDWOHSUSA-N	00000000100000110101100000000010000000000000000000000000	31-01-073157
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c12C(=O)NCCCc1nc(NC(=O)c1ccc3nsnc3c1)s2	ZINC22_211129958,PC-id_72719992,EMOLS-id_50139229,MCULE-6551822325	345.399	AIKZJYVAYAHEJX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073159
c12C(CCCCn1nnn2)C(=O)NCc1onc(C2CCCCC2)n1	EMOLS-id_68919606,MCULE-8113035608,PC-id_118784682	345.4	LFIALCVIMXKMMF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-073160
c12CN(CCCn1nc(CNc1cc(OC)ncn1)c2)C(=O)N(C)C	EMOLS-id_44440305,MCULE-8919599333,ZINC22_82121505,PC-id_70752540	345.4	YYBKUVSFDSMATH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073161
c12CN(CCCn1nc(CNC(=O)c1cnn(C)c1)c2)C(=O)N(C)C	ZINC22_82172088,PC-id_70788845,MCULE-1799899161,EMOLS-id_44452853	345.4	RIQZMVGNMQPPBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073162
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Cc1noc(n1)C1CCCN1C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_98817086	345.4	VTCYCAOINUFGEN-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-073166
CC(C[C@@H](c1nnc2n1CCNCC2)NC(=O)c1c[nH]c(=O)cn1)C	PC-id_95223421	345.4	YAWZNDDHAVJDDF-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-073167
CC(C[C@H](c1nnc2n1CCNCC2)NC(=O)c1c[nH]c(=O)cn1)C	PC-id_95223422	345.4	YAWZNDDHAVJDDF-LLVKDONJSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073168
CC(C)CNC(=O)c1ncn2c1CN(C(=O)c1ncn(C)n1)CCC2	EMOLS-id_313787708,ZINC22_1565546042	345.4	RJQKJARNIHASCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073169
CC(=O)NCC(=O)N1Cc2nccn2C[C@@H](Cn2nc(C)nc2C)C1	ZINC22_96188712,PC-id_97463145	345.4	DUDPADNKHDCXAM-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073170
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CC(=O)NCC(=O)N1CC(Cn2nc(C)nc2C)Cn2ccnc2C1	EMOLS-id_44326557	345.4	DUDPADNKHDCXAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073172
CN(C)c1cnn(CC(=O)NCc2nnc3CCCCCn23)c(=O)c1	EMOLS-id_23819468,CoCoCo_1391853,PC-id_28097184,MCULE-1678107800,ZINC22_19218410	345.4	VRJORQCKWYLYQY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073173
CN(C)CCOCc1nnn2c1CN(C(=O)c1ccnnc1)CCC2	PC-id_97405173,ZINC22_96084346,EMOLS-id_46181701	345.4	RIVAKXKUQQGGLJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073174
CN(C)CCOCc1nnn2c1CN(C(=O)c1cnccn1)CCC2	PC-id_97381490,ZINC22_96058833,EMOLS-id_46147963	345.4	MWIUAJPWZRLQMZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073175
CN(CCOCc1nnc2n1CCN(CC2)C(=O)c1cnccn1)C	PC-id_97405392	345.4	RIIKPVBWYJTQQE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073176
COc1ccc(nn1)NC(=O)NC(c1nnc2n1CCCCC2)CC	EMOLS-id_98436636	345.4	SFCYTAWEYHLYQS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073177
N[C@@H]1CC[C@@H](CC1)n1nnc(c1)C(=O)N1CCc2c(CC1)[nH][nH]c2=O	MCULE-8737838470,EMOLS-id_43572905	345.4	KOPZIQSYWKICLA-PHIMTYICSA-N	00000000100010000101100000000010000000000000000000000000	31-01-073178
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O=C(NCc1nc(C2CCCCC2)no1)[C@H]1CCCCn2nnnc12	ZINC22_299777628	345.4	LFIALCVIMXKMMF-LBPRGKRZSA-N	00000000100010000101100000000010000000000000000000000000	31-01-073186
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n12CCCCCc1nnc2C(=Cc1c(nn(c1)C)c1ccncc1)C#N	PC-id_47495254	345.401	ROFDJBIKOJZUIJ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-073190
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FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCCCCC	PC-id_19527307	345.403	FMINPABNJOSIPX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073192
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FC(COC1CN(C1)C(=O)Nc1sc2c(n1)CCCCCC2)F	EMOLS-id_101106501	345.408	KRWNDUCIGKSHOU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-073194
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c1(C(O)C2CC2)cc2n(CCCN(Cc3cc(OC)ccc3F)C2)n1	EMOLS-id_50539231,MCULE-8062565781,PC-id_90650990	345.411	CDHKERRPBLWABN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-073196
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OC(=O)COc1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	MCULE-1891244884,PC-id_121699011,EMOLS-id_71462694	345.413	QQCPQSJNAXYSST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073213
s1c2CCCCCc2cc1C(=O)Nc1c(O)c(ccc1)C(=O)OC	PC-id_56577271	345.413	OFARQTMKCGCZLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073214
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1occc1)C(=O)OC	PC-id_4606135	345.413	BTKFAWLZLKTAKR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-073215
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1occc1)C(=O)OC	PC-id_6162503	345.413	BTKFAWLZLKTAKR-MDZDMXLPSA-N	00000000101000000100000000000010000000000000000000000000	31-01-073216
c12CN(CCC)CCCn1nc(CNC(=O)Nc1ccccc1F)c2	ZINC22_82137568,PC-id_70767125,EMOLS-id_44445315,MCULE-4727625010	345.414	NKNXHRFUZAMDCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073217
CC1Cc2nnc(COc3ncccc3F)n2CCN1CC1CCC1	EMOLS-id_313824548	345.414	SFQYPDXCAMNKBW-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-073218
CCc1cc(ccc1F)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319291225	345.414	KOLYBCSWDXRYQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073219
CCCN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1	PC-id_42452296,ZINC22_12191218,CoCoCo_1340716,EMOLS-id_20548099,CoCoCo_1340717,MCULE-3897890382	345.414	MECHIXADCOJSFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073220
CC(C)N(C)Cc1cnc2CCN(CCn12)C(=O)c1ccncc1F	PC-id_97390193,EMOLS-id_46161809,ZINC22_96067887	345.414	QWQDNYGDOQFTHK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073221
C[C@@H]1Cc2nnc(COc3ncccc3F)n2CCN1CC1CCC1	ZINC22_585098220	345.414	SFQYPDXCAMNKBW-CYBMUJFWSA-N	00001000100000101101000000000010000000000000000000000000	31-01-073222
C[C@H]1Cc2nnc(COc3ncccc3F)n2CCN1CC1CCC1	ZINC22_585098221	345.414	SFQYPDXCAMNKBW-ZDUSSCGKSA-N	00001000100000101101000000000010000000000000000000000000	31-01-073223
CCN(Cc1cccc(F)c1)C(=O)NCc1nnc2n1CCCCC2	ZINC22_45570922	345.414	WALQINYIDIIXNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073224
CCN(Cc1cnc2n1CCN(CC2)C(=O)c1ccncc1F)CC	PC-id_97466977	345.414	PMTXEMTVVRDXKF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073225
CN(Cc1ccc(F)cc1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_52220593,EMOLS-id_36630716,MCULE-3571537183,ZINC22_45607596	345.414	LMGWONWAKOFPGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073226
CN(C)Cc1cnc2CCN(CCn12)C(=O)NCc1cccc(F)c1	ZINC22_96196799,PC-id_97466944,EMOLS-id_44328529	345.414	SLZYKLSHBMOLQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073227
CN(C(C)C)Cc1ncn2c1CN(CCC2)C(=O)c1ccncc1F	PC-id_97413590	345.414	NHXJSXCVQOTUFD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073228
CN(CC(=O)NCc1cc2CNCCCn2n1)Cc1ccc(F)cc1	EMOLS-id_44438357,ZINC22_82120168,PC-id_70746924,MCULE-1570427296	345.414	IAEJRZCXBMZQNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073229
Fc1cccc(c1)C(CNC(=O)N1CCCn2c(C1)cc(n2)N)(C)C	EMOLS-id_320314624,MCULE-1141310037	345.414	LZWRYMZTGGZDBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073230
Fc1cccc(c1)C(N(C)C)CNC(=O)C1CCn2c(CC1)nnc2	MCULE-6649788134,EMOLS-id_320146885	345.414	BTYQWUWCJLYDCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073231
O=c1n(CN2CCN(c3ccccc3F)CC2)nc2n1CCCCC2	EMOLS-id_13498441,ZINC22_12543260,CoCoCo_4549689,PC-id_17459143,MCULE-1720303996,CoCoCo_4549688	345.414	PPKSKJMWZKQFHM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-073232
O=c1n(CN2CCN(c3ccc(F)cc3)CC2)nc2n1CCCCC2	ZINC22_12549010,EMOLS-id_13533300,CoCoCo_4549724,PC-id_17467837,MCULE-2514742684,CoCoCo_4549723	345.414	LMGLHYCICRCNQI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-073233
O=C(Nc1ccc(cc1)F)CCN[C@@H](c1nnc2n1CCCCC2)C	PC-id_122141226	345.414	VDWOVMLDUHXBMW-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073234
C1CCCc2c(CC1)cc(s2)C(=O)NNC(=O)c1cccc[n+]1[O-]	EMOLS-id_32003608,PC-id_136041052	345.416	LEEBHCKNRJUFOQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-073235
C1CCCc2c(CC1)cc(s2)C(=O)NNC(=O)c1cc[n+](cc1)[O-]	PC-id_135976909,EMOLS-id_33331714	345.416	DWENKGVERWKDLU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-073236
c1(C(=O)OC)cc2n(CCCN(Cc3cc(cs3)C#CCO)C2)n1	ZINC22_65407877,EMOLS-id_32401784,PC-id_50965903,MCULE-1581714679	345.416	IKCHMULPFKWOFN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-073237
c1(NC(=O)c2cnccn2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_897409,ZINC22_474105,TIMTEC239506,EMOLS-id_2440879,MCULE-4516636429,PC-id_896599	345.416	JJDHZYIMKNUDRJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073238
c1(NC(=O)c2cnccn2)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_1095718,TIMTEC295203,PC-id_874358,SPECS-id_AK-968/12265137,ZINC22_442390,MCULE-7367053300,CoCoCo_742169	345.416	LSYMIJWDYVKANK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073239
CC(C)Oc1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625331	345.416	JNBDLDOXVCFNJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073240
CCOc1ccc(cc1)CC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625392	345.416	KBHHDZXDIABUQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073241
CCOc1cccc(n1)NC(=O)CN1CCCc2c(C1=O)ccs2	EMOLS-id_44576096,MCULE-5516444567,PC-id_71866012	345.416	KVNHDJFRMQAAKS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-073242
CC(=O)Nc1nc2c(s1)CCN(CC2)C(=O)OCc1ccccc1	SCHEMBL7294084,PC-id_19985723	345.416	QRFILUPJZFEDSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073243
CN(C1CCCN(c2c1scc2)C(=O)c1ccc(cc1)[N+](=O)[O-])C	PC-id_139709970	345.416	CDUBBNSJGURBOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073244
CNC(=O)c1nc2CCN(CCc2s1)C(=O)c1cccc(OC)c1	PC-id_97442487,EMOLS-id_44303894,ZINC22_96146963	345.416	OALRMEMKYMOIAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073245
CNC(=O)c1nc2CCN(CCc2s1)C(=O)c1ccc(OC)cc1	PC-id_97442488,EMOLS-id_44303896,ZINC22_96146964	345.416	DKMIVYNECIRFBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073246
COc1ccc(cc1)CCC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625427	345.416	RGBUAIJRRLIXDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073247
COc1cccc(CC(=O)N2CCc3nc(C(=O)N)sc3CC2)c1	PC-id_97442513,EMOLS-id_44303946,ZINC22_96146989	345.416	NFSVDHKCQHOJGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073248
COc1ccc(cn1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-5559041975,EMOLS-id_33338464,PC-id_27017858	345.416	GPKJCYISOMKWIU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-073249
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)C)c1	EMOLS-id_44379270,PC-id_97524652,ZINC22_96264719	345.416	LEAISXSZJNITBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073250
COc1ncccc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_4708686,PC-id_39983804,EMOLS-id_25663827,MCULE-2269269967	345.416	RLKJPVMSJQLCLN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-073251
COC(=O)Nc1ccc(NC(=O)N2CCCc3sccc3C2)cc1	PC-id_99805545,ZINC22_170623068,MCULE-1112737601,EMOLS-id_50317535	345.416	UASGLTHLSWTWTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073252
N1(Cc2nc[nH]c2CC1C(=O)O)C(=O)c1cc2c(CCCCC2)s1	EMOLS-id_68922513,PC-id_118786194,MCULE-7005619574	345.416	HPADZFJRVDRKMS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-073253
N#Cc1c(NC(=O)CCN2C(=O)CCC2=O)sc2c1CCCCC2	PC-id_71944181,EMOLS-id_44491984,ZINC22_72841261,MCULE-4486507753	345.416	IUCNCBGXUZYSLU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-073254
NC(=O)COc1cccc(c1)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319306140	345.416	CXDJNGFGTRFGOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073255
O=c1n2CCCCCc2nn1C[NH+](Cc1ccc(cc1)C(=O)OC)C	PC-id_32781529	345.416	UXOLGISSUTYOIF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-073256
O=C(c1noc2c1CCCCC2)N1CCNC(=O)C1c1cccs1	EMOLS-id_100111773	345.416	YJAAYNCTHGKDHQ-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-073257
O=C(Cn1ccccc1=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_9077740,EMOLS-id_30183293,MCULE-6063097861	345.416	HGFOUNQEXOBUIK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-073258
O=C(Nc1nc2c(s1)CCCCC2)COc1cccc(c1)C(=O)N	PC-id_94626400	345.416	RRLKEVTWJATPAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073259
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccc2c(c1)OCO2	PC-id_112825099	345.416	KELWGLLYAXVSCP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-073260
O=C(O)[C@H]1Cc2[nH]cnc2CN1C(=O)c1cc2c(s1)CCCCC2	ZINC22_299792964	345.416	HPADZFJRVDRKMS-CYBMUJFWSA-N	00000000100010000101000000010010000000000000000000000000	31-01-073261
O=C(O)[C@@H]1Cc2[nH]cnc2CN1C(=O)c1cc2c(s1)CCCCC2	ZINC22_299792965	345.416	HPADZFJRVDRKMS-ZDUSSCGKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-073262
[O-][n+]1cccc(c1)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_53535834,EMOLS-id_36620160	345.416	WYXHDQUVPSJGET-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-073263
s1c2c(CCCCC2)cc1C(=O)N1C(c2nc[nH]c2CC1)C(=O)O	PC-id_70754416	345.416	GXGVBVYLIBKYFK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-073264
s1c2CCCCCc2cc1C(=O)NNC(=O)C1C=CC(=NC1=O)C	PC-id_76885513	345.416	ICADKTMACQNQAR-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-073265
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(=O)[nH]c(cc1)C	PC-id_60494160	345.416	RFLJTCOMKMZPBB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-073266
s1c2CCCCCc2cc1C(=O)NNC(=O)c1[nH]cc(c1)C(=O)C	PC-id_9092553	345.416	FELPQHQLLHDEFU-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-073267
s1c2c(CCCCC2)c(c1NC(=O)c1cc(=O)n(cc1)C)C(=O)N	PC-id_60416087	345.416	SGXVLHCJHKVWQA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-073268
s1c2CCCCCc2nc1NC(=O)Nc1c(cccc1)C(=O)OC	PC-id_20966628	345.416	CWPRSIZJZOGQEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073269
s1c2CCCCCCc2cc1C(=O)/N=N/C(=C1C=CN(O)C=C1)O	PC-id_51109515	345.416	UIVXUQVLUHEXMZ-VHEBQXMUSA-N	00000000100011001100000000000010000000000000000000000000	31-01-073270
s1c2CCCCCCc2cc1C(=O)/N=N/C(=C
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s1c2CCCCCCc2cc1C(=O)/N=N/C(=C1N(O)C=CC=C1)O	PC-id_52211396	345.416	CWPAIAXLOFDJQW-LAHHSVPQSA-N	00000000100011001100000000000010000000000000000000000000	31-01-073272
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1C=CC(=O)N=C1	PC-id_78609495	345.416	SXHJSFBMVLDSMU-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-073273
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c[nH]c(=O)cc1	PC-id_8124293	345.416	DTSRXVCAZXWSPJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-073274
s1c2CCCCCCc2nc1NC(=O)Cc1ccc([N+](=O)[O-])cc1	PC-id_56035985	345.416	AFVAKQIABJSZCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073275
Cc1cc(c2nnc(CSc3nnc4n3CCCCC4)o2)c(C)o1	MCULE-3643329644,EMOLS-id_13393893,PC-id_8320293,ZINC22_7215223,CoCoCo_3654405	345.419	VWNJYZHPMCTODA-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-073276
Cc1cn2c(nc(CN3CCCn4nc(CO)cc4C3)cc2=O)s1	MCULE-6118903817,EMOLS-id_55704258,PC-id_91795227	345.419	VJQAFDRGEIQHOZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073277
Cc1cnc(cn1)C(=O)N1CCc2c(CC1)nc(s2)C(=O)N(C)C	PC-id_97524727	345.419	OSDBLHCAKZRVHA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073278
C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1nnc2n1CCCCC2	ZINC22_48273688,PC-id_94176458	345.419	HPLARMNOVBMUCX-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073279
C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1nnc2n1CCCCC2	ZINC22_48273691,PC-id_94176459	345.419	HPLARMNOVBMUCX-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073280
C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1nnc2n1CCCCC2	ZINC22_48272624,PC-id_94176303	345.419	ZRQUAXMUTAHDFN-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073281
C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1nnc2n1CCCCC2	ZINC22_48272627,PC-id_94176304	345.419	ZRQUAXMUTAHDFN-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073282
Cn1cnn(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)c1=O	ZINC22_182663897,EMOLS-id_73028134,PC-id_121531411,MCULE-7961815243	345.419	DJEBJSHOSBQPHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073283
Nc1nccnc1C(=O)NNC(=O)c1cc2c(s1)CCCCCC2	CoCoCo_4518645,PC-id_41441495,CHEMBL4524665,EMOLS-id_17171512,MCULE-5222501615	345.419	GQUZWCCQXRNMBK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073284
N#Cc1ccc(cc1)S(=O)(=O)NC(c1nnc2n1CCCCC2)C	MCULE-5464154422,EMOLS-id_31867814,PC-id_51074970	345.419	ZRQUAXMUTAHDFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073285
N#Cc1cccc(c1)S(=O)(=O)NC(c1nnc2n1CCCCC2)C	MCULE-9073108644,EMOLS-id_31867812,PC-id_51074969	345.419	HPLARMNOVBMUCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073286
O=C(c1csnn1)N1CCc2ccc(C(=O)N3CCCC3)n2CC1	ZINC22_1565546372,EMOLS-id_313773006	345.419	ZJHNJCBRQRRQTD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073287
O=C(CSc1nnc2n1CCCCC2)NNC(=O)c1ccccc1	MCULE-9533698844,CoCoCo_3081446,PC-id_4794548,EMOLS-id_3444985	345.419	ZMKPOVIRSFSLBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073288
O=C(N1CCCc2c(C1)ccs2)Nc1nn2c(c1)C(=O)N(CC2)C	EMOLS-id_318790326	345.419	NKADSXPLARDLJB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-073289
O=C(NCC1CC1)c1ccc2CCN(CCn12)C(=O)c1csnn1	ZINC22_1565545161,EMOLS-id_313774528	345.419	WUYYCJVHEOBXHE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-073290
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(cc1)C(=O)N	PC-id_7877483	345.419	DPIJGXQNACOMEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073291
c1(C(=O)NC(C)c2cn3c(scn3)n2)cc2n(CCCN(C)C2)n1	PC-id_50958056,MCULE-5375724711,EMOLS-id_32386976	345.423	HEEXBWRCDIAELY-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-073292
c1(C(=O)NCCc2nnc3CCNCCn23)c(C)nc2sccn12	ZINC22_67432518,MCULE-4040931897,PC-id_56701054,EMOLS-id_36421096	345.423	AIINOOQTLJCSNT-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-073293
C[C@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1cn2ncsc2n1	ZINC22_65393613	345.423	HEEXBWRCDIAELY-JTQLQIEISA-N	00000000100000000101000100000010000000000000000000000000	31-01-073294
C[C@@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1cn2ncsc2n1	ZINC22_65393614	345.423	HEEXBWRCDIAELY-SNVBAGLBSA-N	00000000100000000101000100000010000000000000000000000000	31-01-073295
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CCOc1ccc(cc1CO)NC(=O)c1cc2c(s1)CCCCC2	PC-id_112843710	345.456	YDIOCJOOFULFOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073464
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1cccs1)C)C	SCHEMBL11196691,PC-id_20483735	345.456	XNZZOJUEHDMGQQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-073465
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(s1)C)C	SCHEMBL11205603,PC-id_20484024	345.456	UNUOGVCVSUXZMQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-073466
CC(OC(=O)C1CCCCn2c1cc(c2)C(=O)c1scc(c1)C)C	SCHEMBL11193273,PC-id_20484155	345.456	PUJKYGSVYIHOJK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-073467
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1sccc1C)C	SCHEMBL11193546,PC-id_20483675	345.456	QFJIHCGAJXTFHA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-073468
COc1ccc(cc1OC)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_257850036,PC-id_26245155,MCULE-4048865336	345.456	KEZJUOYMHALBSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073469
COc1cc(C)c(NC(=O)c2cc3c(s2)CCCCC3)cc1OC	EMOLS-id_11794931,CoCoCo_3314526,ZINC22_8393316,PC-id_9507045,MCULE-7891017750	345.456	ICVPGWHAJGUOJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073470
COc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)c(OC)c1	MCULE-6339095400,ZINC22_12977587,EMOLS-id_24095575,CoCoCo_3188585,PC-id_25642618	345.456	WMKXIJKUIMETOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073471
OCc1ccc(cc1CO)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_316730749	345.456	AXKWQBFZSAAWRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073472
OCc1cc(CCNC(=O)c2cc3c(s2)CCCCC3)ccc1O	EMOLS-id_319428345	345.456	DICVWBREVDFWBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073473
OCc1cc(CO)cc(c1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_316534492	345.456	KIGCEVDDJCZCIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073474
O=C(C(C(O)(C)C)Oc1ccccc1)N1CCCc2c(C1)ccs2	EMOLS-id_318284651	345.456	FQCVGTQHYWCGFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073475
O=S(=O)(N1CCCc2c(C1)cco2)CCC1Cc2c(C1)cccc2	EMOLS-id_99490427	345.456	RAWNQECBVMHLLG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-073476
s1c2CCCCCc2cc1C(=O)Nc1cc(OC)c(OCC)cc1	PC-id_9501604	345.456	MUGXFVAYPRDUMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073477
s1c2CCCCCc2cc1C(=O)NCCOc1ccc(OC)cc1	PC-id_8935165	345.456	USQDUEKPDPBBAZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073479
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)C)C	PC-id_16509419	345.456	AHEJLNZCFQCORV-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-073480
s1c2c(CCCCC2)c(c1NCc1c(O)cccc1)C(=O)OCC	PC-id_23794300	345.456	ZKQXITBYUKKEEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073481
s1c2CCCCCCc2cc1C(=O)Nc1c(OC)ccc(OC)c1	PC-id_29207285	345.456	HCQOGQGUUQPZSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073482
s1c2CCCCCCc2cc1C(=O)NCc1cc(O)c(OC)cc1	PC-id_52693583	345.456	SAVFCOCDGZPAQD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073483
s1c2CCCCCCc2cc1C(=O)NCCc1cc(O)c(O)cc1	PC-id_78796815	345.456	WQGRXKKJGKAXDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073484
C[C@H](NCCc1nnc2n1CCCCC2)c1ccc(F)cc1N(C)C	ZINC22_95419802,PC-id_97229612	345.458	BCVKCOXWVHUHEL-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073485
C[C@@H](NCCc1nnc2n1CCCCC2)c1ccc(F)cc1N(C)C	ZINC22_95419803,PC-id_97229613	345.458	BCVKCOXWVHUHEL-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073486
Fc1ccc(c(c1)N(C)C)C(NCCc1nnc2n1CCCCC2)C	MCULE-7536827783,EMOLS-id_48265975,PC-id_75382560	345.458	BCVKCOXWVHUHEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073487
c12CN(CCSc3ccccc3)CCCn1nc(CCC(=O)O)c2	ZINC22_72407055,PC-id_56881606,MCULE-8137552490,EMOLS-id_43055308	345.459	AAOHRVDKIOLKFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073488
c12N(CCCCc1cc(C(=O)Nc1ccc(nc1)OC)s2)CCC	MCULE-8213027355,EMOLS-id_97021038	345.459	IURNNDFYQOABLJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-073489
c1(CN(C)C(=O)Cc2csc(C(=O)C)c2)c2CCCCCc2[nH]n1	ZINC22_823630011,MCULE-7830652009,EMOLS-id_232896324	345.459	APKFXRSYFIZKBB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-073490
c1(C(O)C2CC2)cc2n(CCCN(Cc3csc(C(=O)C)c3)C2)n1	MCULE-2536210444,PC-id_91782489,EMOLS-id_55667039	345.459	QWNQQYBVBCXVES-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073491
c1(NC(=O)C2CCN(CC2)C(=O)C)sc2c(CCCCC2)c1C#N	MCULE-9348778403,ZINC22_6741593,TIMTEC146994,CoCoCo_1053077,PC-id_6470149,EMOLS-id_2548769	345.459	FJPQBWXMLQYJIG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073492
c1(NC(=O)Nc2ccccc2OCC)sc2c(CCCCCC2)n1	EMOLS-id_16329886,CoCoCo_2552433,MCULE-4687746060,PC-id_20966651	345.459	XIUIKJAUCVVDPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073493
c1(NC(=O)Nc2cc(C)ccc2OC)sc2c(CCCCCC2)n1	MCULE-7377740388,EMOLS-id_16329906,PC-id_20966658,CoCoCo_2552443	345.459	GXZIFZYMAWLNIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073494
Cc1ccsc1C(=O)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_96189122,PC-id_97463537	345.459	IERUYHLQQFSZKG-OAHLLOKOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073495
Cc1ccsc1C(=O)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	ZINC22_96189123,PC-id_97463538	345.459	IERUYHLQQFSZKG-HNNXBMFYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073496
Cc1ccsc1C(=O)N1Cc2nccn2C[C@H](COCC2CC2)C1	PC-id_97462365,ZINC22_96187916	345.459	OCGCHZRUKWHUSU-HNNXBMFYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073497
Cc1ccsc1C(=O)N1Cc2nccn2C[C@@H](COCC2CC2)C1	PC-id_97462366,ZINC22_96187917	345.459	OCGCHZRUKWHUSU-OAHLLOKOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073498
Cc1ccsc1C(=O)N1CC(COCC2CC2)Cn2ccnc2C1	EMOLS-id_44325949	345.459	OCGCHZRUKWHUSU-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073499
Cc1ccsc1C(=O)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_44327059	345.459	IERUYHLQQFSZKG-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073500
Cc1cnc(s1)C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111334820	345.459	MVPQXPSBWSZURI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-073501
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cn1)OC(C)(C)C	EMOLS-id_318840324	345.459	MAEVJIWLKBYCTH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073502
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccn(c1=O)C(C)(C)C	MCULE-8909659168,EMOLS-id_320030899	345.459	SOPBWIHXVSLUSW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073503
Cc1nc2c(s1)N(CCCC2)C(=O)c1coc(n1)C1CCCCC1	MCULE-1133662996,EMOLS-id_320101234	345.459	ZMDMPCHWYTUNEG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-073504
Cc1nc(C2(NC(=O)c3cc4c(s3)CCCCCC4)CCC2)no1	ZINC22_170615111,EMOLS-id_50304099,MCULE-7748588694,PC-id_99798407	345.459	AYNMITWXOCYMER-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-073505
Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCCc2sccc2C1	MCULE-2013662620,ZINC22_81688379,PC-id_136231537,EMOLS-id_48248118	345.459	YLFYDEWYPJMVED-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073506
Cc1noc(C2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)n1	ZINC22_53448556,PC-id_56818677,EMOLS-id_36929505,MCULE-6975733899	345.459	RRKCIUZEWCXBCE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-073507
Cc1noc(n1)C1CCCCN1C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98835780	345.459	BVYVOTSTLJBZCQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-073508
Cc1noc(n1)C1CCCN1C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_98826937	345.459	QSHGYEUQKQOWHD-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-073509
Cc1sc2c(n1)CCCC2N(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_111421184	345.459	HEVRVDKQAKYKGF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-073510
CC(Cn1cccc(c1=O)C(=O)N1CCCCc2c1sc(n2)C)C	EMOLS-id_318921586	345.459	REBDPQLNZGZARV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073511
CC(=O)c1cc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)cs1	ZINC22_222342585,PC-id_100090599	345.459	QWNQQYBVBCXVES-SFHVURJKSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073512
CC(=O)c1cc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)cs1	ZINC22_230558543	345.459	QWNQQYBVBCXVES-GOSISDBHSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073513
COc1ccc(c(c1)/C=C/CN1CCc2c(CC1)nc(s2)N)OC	PC-id_19985821,SCHEMBL7286073	345.459	KMEQXLMHIOOOST-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073514
COc1cccc(c1/C=C/CN1CCc2c(CC1)nc(s2)N)OC	SCHEMBL7286816	345.459	STAMDUHDCZZBLL-SNAWJCMRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073515
COc1ccccc1CCNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825163	345.459	GUBUHMKJGYGNRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073516
COc1ccc(cc1)CCNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825196	345.459	JPHYUQVUKWUZLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073517
COc1cccc(c1)CNC(=O)Nc1sc2c(n1)CCCCCC2	CoCoCo_2552448,PC-id_20966662	345.459	ZCOOPXLOHTYLHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073518
COc1ccc(c(c1)OC)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7292430,PC-id_19985957	345.459	UUFUSMULTHPWMG-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073519
COc1c(c(ccc1)OC)C=CCN1CCc2c(CC1)sc(n2)N	PC-id_88123916	345.459	STAMDUHDCZZBLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073520
COc1cccc(c1OC(C)C)C[NH2+]Cc1nnc2n1CCCCC2	PC-id_51923165,GD-id_ZINC39976548	345.459	UKDSIAMLKJUFLI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-073521
COc1cc(/C=C/CN2CCc3c(CC2)nc(s3)N)ccc1OC	PC-id_19985741,SCHEMBL7287649	345.459	XMXJJGDBHGBTFM-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073522
COc1cc(/C=C/CN2CCc3c(CC2)nc(s3)N)cc(c1)OC	SCHEMBL7293485,PC-id_19985884	345.459	IMGRIDZTHISVSJ-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073523
COc1cccc(CN2CCc3nc(C(=O)N(C)C)sc3CC2)c1	ZINC22_96147029,PC-id_97442553,EMOLS-id_44304026	345.459	LVXPITPVIOOPQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073524
COc1c(/C=C/CN2CCc3c(CC2)nc(s3)N)cccc1OC	SCHEMBL7284575,PC-id_19985964	345.459	VKTFDPNQLXAMCM-GQCTYLIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-073525
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(C)C)c1	EMOLS-id_313793341,ZINC22_2055793341	345.459	QSFFKCNPNPURQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073526
COc1cccc(SCC(=O)NCc2n[nH]c3c2CCCCC3)c1	MCULE-5713816600,EMOLS-id_222764871,ZINC22_670447999	345.459	JPZFGLBNAJNLEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073527
COc1cc(C[NH2+]Cc2nnc3n2CCCCC3)ccc1OC(C)C	PC-id_51923161,GD-id_ZINC39976540	345.459	NRMMKNGYFDBZLK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-073528
COC(c1ccccc1)CNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825115	345.459	JMISWKRTROWXHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073529
N#Cc1c(NC(=O)CCN2CCCC2=O)sc2c1CCCCCC2	PC-id_53566703,MCULE-2511291600,ZINC22_67987207,EMOLS-id_36324924	345.459	UCIJSZDFXFIQOI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-073530
N#Cc1c(NC(=O)CN2CCC(=O)C(C2)C)sc2c1CCCCC2	EMOLS-id_111753695	345.459	XUBYNQHZFCNKCG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073531
Oc1ccnc(n1)CCN(C(=O)c1sc2c(c1)CCCCCC2)C	MCULE-7800760511,EMOLS-id_320297009	345.459	JFTRLALYIJLVTQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073532
O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)Cc1nocn1	EMOLS-id_319087668	345.459	VZYVJQLLYLQKCA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073533
O=C(c1cc2c(s1)CCCCC2)N1CCN(CC1)Cc1cocn1	EMOLS-id_319377780	345.459	HXLMRDYYHBTPEQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073534
O=C(c1cc2c(s1)CCCCC2)Nc1ccnn1CC1COCC1	MCULE-6212659252,EMOLS-id_36286026,PC-id_53553704	345.459	NZZOTXKKUOVXDP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073535
O=C(c1cc2c(s1)CCCCC2)Nc1n[nH]c(c1)C1CCCOC1	EMOLS-id_100107840	345.459	YPKWOZKMEOKWQN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-073536
O=C(c1cc2c(s1)CCCCC2)Nc1n[nH]c(c1)C1CCOCC1	EMOLS-id_99809502	345.459	QKAPRMSRPAZIGL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-073537
O=C(c1noc2c1CCCCC2)NCCc1nc2c(s1)CCCC2	EMOLS-id_100164964	345.459	NJAGGRFXNCPUMU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-073538
O=C(c1noc2c1CCCCC2)NCCN1CCc2c(C1)ccs2	EMOLS-id_100097280	345.459	SVGRQMPWQNFVNS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-073539
O=C(Cc1cccs1)N1Cc2cncn2C[C@H](COCC2CC2)C1	PC-id_97477706,ZINC22_96209579	345.459	DUFCEUWGXPQVOB-OAHLLOKOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073540
O=C(Cc1cccs1)N1Cc2cncn2C[C@@H](COCC2CC2)C1	PC-id_97477707,ZINC22_96209580	345.459	DUFCEUWGXPQVOB-HNNXBMFYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073541
O=C(Cc1cccs1)N1Cc2nccn2C[C@H](COCC2CC2)C1	PC-id_97462367,ZINC22_96187918	345.459	RKAAIFCAJYKBPR-HNNXBMFYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073542
O=C(Cc1cccs1)N1Cc2nccn2C[C@@H](COCC2CC2)C1	PC-id_97462368,ZINC22_96187919	345.459	RKAAIFCAJYKBPR-OAHLLOKOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073543
O=C(Cc1cccs1)N1CC(COCC2CC2)Cn2ccnc2C1	EMOLS-id_44325951	345.459	RKAAIFCAJYKBPR-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073544
O=C(Cc1cccs1)N1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49233537	345.459	DUFCEUWGXPQVOB-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073545
O=C(Cc1ccsc1)N1Cc2cncn2C[C@@H](COCC2CC2)C1	PC-id_97476315,ZINC22_96208188	345.459	AEBVIIVBRICJQC-INIZCTEOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073546
O=C(Cc1ccsc1)N1Cc2cncn2C[C@H](COCC2CC2)C1	ZINC22_96208187,PC-id_97476314	345.459	AEBVIIVBRICJQC-MRXNPFEDSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073547
O=C(Cc1ccsc1)N1Cc2nccn2C[C@H](COCC2CC2)C1	PC-id_97462369,ZINC22_96187920	345.459	PWMRRLQGIWIFTR-INIZCTEOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073548
O=C(Cc1ccsc1)N1Cc2nccn2C[C@@H](COCC2CC2)C1	PC-id_97462370,ZINC22_96187921	345.459	PWMRRLQGIWIFTR-MRXNPFEDSA-N	00100000100100000101000000000010000000000000000000000000	31-01-073549
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C[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_16338579,PC-id_27070227	345.502	WUFGSBIPYGSCHE-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073726
C[C@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	PC-id_98701196,ZINC22_105879620	345.502	LZTOQUVABBCKMG-UONOGXRCSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073727
C[C@@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC22_195536087,PC-id_99848516	345.502	LZTOQUVABBCKMG-ZIAGYGMSSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073728
C[C@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC22_8142723,PC-id_9275626	345.502	LZTOQUVABBCKMG-KBPBESRZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073729
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCCCCC1	CoCoCo_4223284,PC-id_9249964,ZINC22_8119219	345.502	HTEQKGIUBWOSSG-AWEZNQCLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-073730
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCCCCC1	ZINC22_8119220,PC-id_9249966,CoCoCo_4223285	345.502	HTEQKGIUBWOSSG-CQSZACIVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-073731
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](C)C1	PC-id_9275622,ZINC22_8142720	345.502	LZTOQUVABBCKMG-KGLIPLIRSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073732
CCN(CC1CC1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_86940192	345.502	RNFJIQXWMFODLX-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-073733
N#Cc1c(NC(=O)CCN2CCCCC2C)sc2c1CCCCC2	EMOLS-id_34718752,MCULE-6024489699,PC-id_42998907	345.502	WUFGSBIPYGSCHE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073734
N#Cc1c(NC(=O)CCN2CCCCCC2)sc2c1CCCCC2	CoCoCo_3562562,ZINC22_8390687,MCULE-9779811024,EMOLS-id_3668769,PC-id_9504301	345.502	PZNMTQLEVBYFEE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-073735
N#Cc1c(NC(=O)C(N2CCC(CC2)C)C)sc2c1CCCCC2	MCULE-5115710925,PC-id_17477738,EMOLS-id_13563124	345.502	HGKRGOYZFLOQSV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073736
N#Cc1c(NC(=O)C(N2CCCC(C2)C)C)sc2c1CCCCC2	PC-id_24506599,EMOLS-id_30687064,MCULE-2023020561	345.502	LZTOQUVABBCKMG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073737
N#Cc1c(NC(=O)C(N2CCCCCC2)C)sc2c1CCCCC2	EMOLS-id_13569518,MCULE-6868649751,PC-id_17479743	345.502	HTEQKGIUBWOSSG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-073738
N#Cc1c(NC(=O)CNC2CCCCC2C)sc2c1CCCCC2	PC-id_112770255	345.502	PXBSPZJKIVIZIQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073739
N#CCN1CCC(CC1)CNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_99695060	345.502	ZQCYNMGUBGSLRV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073740
O=C(c1sc2c(c1)CCCCCC2)NC(c1nccn1C)C(C)C	PC-id_45896265,MCULE-7265194032,EMOLS-id_29685795	345.502	XBKAQVVHCJKUIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073741
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC(CCC1)C)C#N	PC-id_24427390	345.502	SMIDMNVXWWWOSW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073742
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(CC(C1)C)C)C#N	PC-id_17282565	345.502	QKGZKOHTKLNBHQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073743
s1c2c(CCCCC2)c(c1NC(=O)CN1C(CCCC1C)C)C#N	PC-id_22197886	345.502	GZVTWMDELBFSJJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073744
s1c2c(CCCCC2)c(c1NC(=O)CN1C(CCCC1)CC)C#N	PC-id_60467479	345.502	NLWCBGUBXVPWJZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073745
s1c2c(CCCCC2)c(c1NC(=O)CN(C1CCCCC1)C)C#N	PC-id_4818315	345.502	HMFBVUPXURGFBO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073747
s1c2c(CCCCC2)c(c1NC(=O)CN(CC1CC1)CCC)C#N	PC-id_78823153	345.502	DDIHVLLSVOPIBR-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-073748
s1c2CCCCCCc2cc1C(=O)N(C(C)C)Cc1cn(nc1)C	PC-id_52707375	345.502	VIZVHFQCVBRZSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073749
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCC(CC1)C)C#N	PC-id_22197677	345.502	OBCKFSXHJXQMEV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073750
s1c2c(CCCCCC2)c(c1NC(=O)CN1CC(CCC1)C)C#N	PC-id_22197745	345.502	OWUKZKPXZIMYMD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073751
s1c2c(CCCCCC2)c(c1NC(=O)CN1C(CCCC1)C)C#N	PC-id_22197820	345.502	OCPKIEQXOZFSOC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-073752
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCCCCC1)C#N	PC-id_22198073	345.502	IVBBNOMALSEWMR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-073753
S1(=O)(=O)C[C@H]([NH+](Cn2nc3n(c2=S)CCCCC3)CC)CC1	PC-id_9242326	345.504	BAMGOFWRPVJDTH-GFCCVEGCSA-O	00000010100000000101000000000010000000000000000000000000	31-01-073754
S1(=O)(=O)C[C@@H]([NH+](Cn2nc3n(c2=S)CCCCC3)CC)CC1	PC-id_9242334	345.504	BAMGOFWRPVJDTH-LBPRGKRZSA-O	00000010100000000101000000000010000000000000000000000000	31-01-073755
S1(=O)(=O)CC([NH+](Cn2nc3n(c2=S)CCCCC3)CC)CC1	PC-id_84961455	345.504	BAMGOFWRPVJDTH-UHFFFAOYSA-O	00000010100000000101000000000010000000000000000000000000	31-01-073756
Cc1ccc(s1)CN1CCc2n(CC1)c(nn2)CNC1CCCC1	PC-id_97519953	345.505	YOVPKBKUINAYHY-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-073757
S=c1n2CCCCCc2nn1CN(Cc1ccc(N(C)C)cc1)C	PC-id_30246945	345.505	BXACTRMLVQKLHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073758
c1(C(=O)NC2CCCCCCCCCCC2)c2CCCCCc2[nH]n1	MCULE-6516085578,EMOLS-id_335056355	345.522	GKIOJHSPCDLMRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073759
c1(C(=O)NCCc2ccc(cc2)SC)csc2CCCCCc12	CHEMBL1472843,CoCoCo_2171626,PC-id_16010594,MCULE-4206098175,EMOLS-id_16062905,ChEMBL-DNDi_CHEMBLC760-1085	345.522	VRVWDMNAQYSFJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073760
S=c1n2CCCCCc2nn1C[NH+](Cc1ccc(C(C)C)cc1)C	PC-id_8221525	345.525	UTYFIZBYEVJQGG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-073761
ClC(c1sc2c(CCCCC2)c1)c1cc(Cl)c(Cl)cc1	PC-id_63436361	345.714	IDPFXHGYNXBWBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073762
ClC(c1sc2c(CCCCC2)c1)c1c(Cl)ccc(Cl)c1	PC-id_63436329	345.714	JTXHDOYVAPVNJY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073763
ClC(c1sc2c(CCCCC2)c1)c1c(Cl)cc(Cl)cc1	PC-id_63444066	345.714	HQZWPIWNVZYKNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073764
Clc1c(c(OC2CCN(Cc3occc23)C)ccc1)C(F)(F)F	PC-id_68421757,SCHEMBL2866233	345.744	HFNYUYXROMUJPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073765
Clc1ccc(cc1C(F)(F)F)CNC1CCn2c(CC1)nnn2	EMOLS-id_318225274,MCULE-2543763519	345.751	GAGBHQMTHOXLNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073766
Clc1ccc(cc1CNC1CCn2c(CC1)nnn2)C(F)(F)F	EMOLS-id_318314427,MCULE-6768672342	345.751	RFCFAYPRIYIPPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073767
FC(F)(F)c1cnc(NCc2cc3CNCCCn3n2)c(Cl)c1	MCULE-2744682874,PC-id_70715882,ZINC22_82096433,EMOLS-id_44427403	345.751	RRPHUPBRBCTTAJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073768
C=C/C(=C(C=C(Cl)/C)/C)/On1c(=O)c(c2-c1ccccc2)C(=O)O	PC-id_143179396	345.777	YRJRDUPHAOCSBH-NZWDAJRTSA-N	00000010100000000110000000000010000000000000000000000000	31-01-073769
Clc1c(OC)cc(/N=c/2sc(=O)n3n2CCOCC3)c(F)c1	PC-id_11484769	345.777	NMHMBLLLRCHWBC-VBKFSLOCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073770
Clc1ccc(c(c1)F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026527	345.78	USCQLDQPWYKZTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073771
Clc1cccc(c1F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026632	345.78	HNOPDCGTRJGHGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073772
Clc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102028622	345.78	KVDJUDQIMMSGEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073773
COC1CN(Cc2ccnn2C1)C(=O)c1cc2cc(Cl)ccc2o1	EMOLS-id_50010600	345.78	HOEMELYYAFPLDM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073774
CO[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2ccnn2C1	ZINC22_247831645	345.78	HOEMELYYAFPLDM-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073775
CO[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2ccnn2C1	ZINC22_247831649	345.78	HOEMELYYAFPLDM-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073776
Fc1ccc(c(c1)Cl)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026602	345.78	ULVLMJAELRHJJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073777
Fc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_102026713	345.78	MFHGUAGGQMXANQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073778
Fc1cc(Cl)cc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028481	345.78	AJDWGAGKHDPCRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073779
Clc1ccc2c(c1)c(C)c(o2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168151	345.784	DXZYSFYVEFZMFY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073780
CO[C@@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2ccnn2C1	ZINC22_247905506	345.784	XAOHKJLZJZXRSX-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073781
CO[C@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2ccnn2C1	ZINC22_247905509	345.784	XAOHKJLZJZXRSX-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073782
N#Cc1cc(Cl)ccc1NC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_319783254	345.784	IEVAYKFTPKWYEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073783
C1CC1CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccc(cc1)Cl	PC-id_134806558	345.823	OZZDOMBLHFDNKU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-073784
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CC1OCc2c1ccc(c2)Cl	EMOLS-id_319440847	345.823	KANVRZAMDYWTKC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-073785
O=C(CCl)Nc1cc2n(c1C(=O)Nc1ccccc1)CCCCC2	CHEMBL4452038	345.823	HIROYIQHSDVTJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073786
c1(CN2CCCn3nc(CO)cc3C2)c2c(cccc2n(C)n1)Cl	MCULE-1665253133,PC-id_91796455,EMOLS-id_55707824	345.827	FMOJQLOPSXDNAN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073787
Clc1ccc2c(c1)CCC2NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318945467	345.827	XGPCGYRXOPULRJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-073788
Nc1cc2n(n1)CCCN(C2)C(=O)Nc1cc2CCCc2cc1Cl	EMOLS-id_319563716	345.827	QBKIVUQGLSHPIC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-073789
O=C(N1CCCn2c(C1)cc(n2)N)NC1CCc2c1cccc2Cl	EMOLS-id_319924221,MCULE-7161964834	345.827	SLPVDWGMTHFBJT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-073790
Clc1cc(NCc2nnc3n2CCCCC3)nc2c1c(C)nn2C	EMOLS-id_258204856,MCULE-8518105680	345.83	TWNMWVKKAMJVMG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073791
c1(NC(=O)c2cccnc2Cl)sc2c(CCCCCC2)c1C#N	MCULE-3489902713,PC-id_4335025,TIMTEC352816,ZINC22_2737714,EMOLS-id_4024552,GD-id_ZINC02737714,CoCoCo_5815891	345.846	OFFYVUYOHWEBPR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-073792
c1(sc2c(CCCCC2)n1)NC(=O)c1[nH]c2c(c(ccc2)Cl)c1	EMOLS-id_323245717,MCULE-7135898978	345.846	MLOXJLWLGQQEMQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-073793
Clc1ccc(NC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_4617148	345.846	UJAQEFYNYMXAFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073794
Clc1cc(NC(=O)Nc2sc3CCCCCc3c2C#N)ccc1	PC-id_4622994	345.846	APGCXDJFMUBNHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073795
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Cc1cccc(c1)Cl)(C)C	EMOLS-id_319572168	345.866	DGEJMVXCFKCSBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073796
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCCc1ccc(cc1)Cl	EMOLS-id_318821883	345.866	PQRJWCRBZFFQGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073797
CC(CC(=O)N1CC(C)Cc2c(C1)cn[nH]2)Cc1ccc(cc1)Cl	EMOLS-id_319776866	345.866	VQBNLXFVLIKXBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073798
Clc1ccc(cc1)CCNC(=O)Cn1nc2c(c1)CCCCCC2	PC-id_20892481,CoCoCo_2227297	345.866	DVUCHRACURJNCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073799
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cc(c(s1)Cl)C	MCULE-4623593887,EMOLS-id_320190204	345.868	RYJAOXXBZDXPTF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-073800
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cc(c(s1)Cl)C	EMOLS-id_101950866	345.868	OBHWZZIAVBFREU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-073801
Clc1ccc(cc1)C1CCCC(C1)NC1CCn2c(CC1)nnn2	EMOLS-id_102002631,MCULE-6190025743	345.87	PVDBEDXEQWSGOQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-073802
Clc1ccccc1C1CCCCC1NC1CCn2c(CC1)nnn2	MCULE-8864414878,EMOLS-id_318169094	345.87	CWBMKDFJRWJQBO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-073803
Clc1ccccc1C1CNCCN1Cc1nnc2n1CCCCC2	EMOLS-id_318007064,MCULE-9374888982	345.87	WLUBXENTJRJEHQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-073804
Clc1cccc(c1)C1CNCCN1Cc1nnc2n1CCCCC2	EMOLS-id_318351315,MCULE-4924907032	345.87	XBLBFKMIFZTTJY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-073805
Clc1ccc(cc1)CC1CCCC1NC1CCn2c(CC1)nnn2	EMOLS-id_318257941,MCULE-9584048025	345.87	QMFLGQFIXNSIMW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-073806
Clc1ccc([C@@H]2CCC[C@@H](N[C@@H]3CCc4nnnn4CC3)C2)cc1	ZINC22_333554968	345.87	PVDBEDXEQWSGOQ-DJIMGWMZSA-N	00000000100010110101100000000010000000000000000000000000	31-01-073807
Clc1ccc([C@@H]2CCC[C@@H](N[C@H]3CCc4nnnn4CC3)C2)cc1	ZINC22_333554969	345.87	PVDBEDXEQWSGOQ-HYVNUMGLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-073808
Clc1ccc([C@@H]2CCC[C@H](N[C@@H]3CCc4nnnn4CC3)C2)cc1	ZINC22_333554970	345.87	PVDBEDXEQWSGOQ-OIISXLGYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-073809
Clc1ccc([C@@H]2CCC[C@H](N[C@H]3CCc4nnnn4CC3)C2)cc1	ZINC22_333554971	345.87	PVDBEDXEQWSGOQ-PVAVHDDUSA-N	00000000100010110101100000000010000000000000000000000000	31-01-073810
Brc1c2-c(cc1)c(Br)cc(OC)c(OC)c2	PC-id_85545861	346.015	VCFBSGBLBYVKKH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-073811
CC(C)(C)OC(=O)NCC1CN2C(=C(N=N2)Br)CCO1	PC-id_165367092	346.064	KEYHNFRUAGJIMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073812
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CCCNS2=O	PC-id_154682303	346.09	XAGDCBACBTWSRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073813
CCC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC4=C(C3)C=CO4	MCULE-2979145092,PC-id_154758115,EMOLS-id_317290719	346.099	GNIQMXMCGJGJHG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073814
C=CCC1CCc2c(C(=N1)[AsH2])c(cs2)Br	SCHEMBL8216726	346.118	YMIUQLZNMUDJAG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-073815
Brc1sc(Br)c2SCCCSc12	PC-id_85884192,CT-id_7204728	346.126	IAZSGNKKZOKAKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073816
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CCOC(=O)C1=NN2CCC(COC2=C1)OCC3=CC=C(C=C3)OC	PC-id_153545553	346.153	BILQWGPOQPNJIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073819
C1CCC2=NN=C(N2CC1)C(C#N)C(=O)C3=NN(C=C3)C4=CC=CC=C4	EMOLS-id_257901423,MCULE-3741213370,PC-id_154773696	346.154	JFJWEPAKTXSSLU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-073820
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Cc1ccc2-c(c(c(c2C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1	PC-id_90325341,SCHEMBL15931135	346.191	PURPGXKSNYFRFU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-073822
CC1=CN=C(C2=NC(=NN2C1)CCC3=NC(=CN3C)C4=CC=CC=C4)C	PC-id_153580805	346.191	WHJJPBIVUAVDFN-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-073823
CN1C(=O)N2CC[C@H](CCC2=N1)N(C)CC3=CC(=CC(=C3)OC)OC	PC-id_164636784	346.2	OHBZBUXPNDTOFE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073824
CC(C)C1(C=Cc2nc(cn2C=C1)CC1(C=Cc2ccnn2C=C1)C)C	PC-id_163994801	346.216	UDSYLBYQYOQWEX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-073825
N#Cc1cc(Br)ccc1NCc1nnc2n1CCCCC2	MCULE-8018909519,ZINC22_96008391,PC-id_75476674,EMOLS-id_48828492	346.225	GLAGYVUHPPVEDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073826
N#Cc1ccc(cc1Br)NCc1nnc2n1CCCCC2	EMOLS-id_319097234	346.225	MNXWFUUJIDSURY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073827
N#Cc1ccc(c(c1)Br)NCc1nnc2n1CCCCC2	MCULE-7202991640,EMOLS-id_318418746	346.225	RTDKSTHCCASHJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073828
Clc1ccc(c(c1)S(=O)(=O)N1CCCn2c(C1)cnc2)Cl	EMOLS-id_43079639,MCULE-5444326428,PC-id_56887586	346.232	MWQQLQKSLIMIBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073829
Clc1sc(Cl)cc1C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_62025465	346.232	BUFOMKSSUUIDED-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-073830
Brc1sc2c(CC(CNC2=O)(C)C)c1C(=O)OCC	SCHEMBL3754839,PC-id_68773930	346.24	YICTUNSHJHPENU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-073831
BrCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_63678537	346.24	JFOIVAFPDUOKJC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-073832
BrCCOCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_113274337	346.283	LOXWHPFRTNXFPO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-073833
COCC(CNC(=O)c1cc2c(s1)CCCCC2)Br	PC-id_113274503	346.283	DASCPYWCIJGQPR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-073834
COCC(NC(=O)c1cc2c(s1)CCCCC2)CBr	PC-id_114155374	346.283	ZEQWCHJPEGZBNG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-073835
C[C@@H]1OCCN(C(=O)c2coc3c2C(=O)NCCC3)[C@@H]1C(F)(F)F	MCULE-3543378637,ZINC22_906053183,PC-id_136588674,EMOLS-id_316983282	346.302	VCPQXMSEIFTDEV-UFBFGSQYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073836
O=C1NCCCc2occ(C(=O)N(CC(F)(F)F)[C@@H]3CCOC3)c12	ZINC22_1776000012	346.302	UGBKFAUXOOFXDC-SECBINFHSA-N	00000010100000000100000000000010000000000000000000000000	31-01-073837
O=C1NCCCc2occ(C(=O)N(CC(F)(F)F)[C@H]3CCOC3)c12	ZINC22_1776000013	346.302	UGBKFAUXOOFXDC-VIFPVBQESA-N	00000010100000000100000000000010000000000000000000000000	31-01-073838
O=C(c1coc2c1C(=O)NCC(C2)(C)C)N1CC(C1)(O)C(F)(F)F	EMOLS-id_319090250	346.302	OXWZHIFLXOXNKZ-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-073839
O=C(c1coc2c1C(=O)NCCC2)N(C1COCC1)CC(F)(F)F	MCULE-7284224023,EMOLS-id_316956411	346.302	UGBKFAUXOOFXDC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-073840
O=C(c1noc2c1CCCCC2)N1CCC(C1)(C(=O)O)C(F)(F)F	MCULE-9686992050,PC-id_121953473,EMOLS-id_72615875	346.302	BJEHYXRMCJOKON-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073841
OC(=O)[C@@H]1CN(C[C@H]1C(F)(F)F)C(=O)c1noc2c1CCCCC2	PC-id_121900143	346.302	WYGNLHDWXFCYII-NXEZZACHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073842
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O=S(=O)(N1CCCn2c(C1)cnn2)c1ccc(cc1)C(F)(F)F	MCULE-8791328543,EMOLS-id_320249314	346.328	WTYKWGJPDCSLJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073845
BrCC(C(C)(C)C)CSc1n2CCCCCc2nn1	PC-id_65016124	346.329	CDKONDBOKOVPFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073846
BrCC(CSc1n2CCCCCc2nn1)(CC)CC	PC-id_64998371	346.329	OPBMCIFZHQRDRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073847
Cn1ncc2c1CCCN(C(=O)N=c1nc(C(F)(F)F)[nH]s1)C2	MCULE-9601499499,ZINC22_606446090,EMOLS-id_177322118	346.331	JFXXOSTYTABALG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073848
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CCOC(=O)C1C(n2c(c(cn2)C#N)NC=C1C(=O)C)C(=O)OCC	PC-id_135818365	346.338	LGEIYMWDACYKNE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-073855
Clc1sc(Cl)cc1C(NC)c1sc2c(CCCCC2)c1	PC-id_43486737	346.338	PFDZGYYUIUQWFE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-073856
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1COCCN1CC(F)(F)F	MCULE-2439717951,EMOLS-id_320058759	346.348	DPJLCGGQRKZOQZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073857
FC(F)(F)C1CN(CCO1)C(=O)CCc1cc2CNCCCn2n1	MCULE-5003639415,EMOLS-id_43148946,PC-id_70761681	346.348	TWQLEOSABUAZOH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073858
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O=C(CCc1cc2n(n1)CCCNC2)N1CCO[C@H](C(F)(F)F)C1	PC-id_95886290,ZINC22_72458552	346.348	TWQLEOSABUAZOH-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073860
O=C(CCc1cc2n(n1)CCCNC2)N1CCO[C@@H](C(F)(F)F)C1	ZINC22_72458554,PC-id_95886292	346.348	TWQLEOSABUAZOH-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073861
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O=C(N1CCC(C1(C)C)C(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102168865	346.351	JLIFBVUCIWEKQB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073864
O=C(N1CCCC(C1)CC(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102107135	346.351	FMHWIQSWOBAGOI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073865
O=C(N1CCC(CC1)CC(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102161071	346.351	JUXFDKVWGINJBR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-073866
O=C(N1CCCn2c(C1)cc(n2)N)NC1CCN(C1)CC(F)(F)F	EMOLS-id_318942708	346.351	CJQVQYQBIRVECO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073867
CCOC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(F)cc1)CCC2	PC-id_54735073,CHEMBL240056	346.353	ZUEZIBMTKQLZFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073868
COC(=O)c1sc(c2c1OCCOCCOCCO2)C(=O)OC	PC-id_58807324,SCHEMBL14587293	346.353	WUCDDMBCZFGBJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073869
Fc1ccc(cc1)C(C(=O)O)CNC(=O)c1noc2c1CCCCC2	MCULE-3505913002,PC-id_121887872,EMOLS-id_72487862	346.353	IKSXBDSUEZQIJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073870
Fc1ccc(cc1)C(C(=O)O)(NC(=O)c1noc2c1CCCCC2)C	PC-id_121973573	346.353	LSBDPZYSWYZEMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073871
OC(=O)C(c1ccc(c(c1)C)F)NC(=O)c1noc2c1CCCCC2	MCULE-5539213690,EMOLS-id_72631227,PC-id_121961160	346.353	TZBRDNHBLMIFEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073872
OC(=O)CC(c1ccc(cc1)F)NC(=O)c1noc2c1CCCCC2	EMOLS-id_57584751,MCULE-4782125741,PC-id_120513064	346.353	QPBPHCZZRJEKDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073873
OC(=O)CN(C(=O)c1noc2c1CCCCC2)Cc1ccc(cc1)F	EMOLS-id_72588229,MCULE-3611948800,PC-id_121939632	346.353	IZUVUXPKZKQIKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073874
COC(=O)c1c(F)cccc1CCCn1cnc2c1NC=NCC2O	CHEMBL35724,BindingDB_PC-id_10617554,PC-id_10617554	346.356	YWAMGNDTYBKHOA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-073875
COC(=O)C(c1ccccc1F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_257970658,MCULE-5241379561	346.356	RZCZEBDSKAKQKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073876
OC(=O)c1ccc(c(c1)F)C(=O)NCCc1nnc2n1CCCCC2	PC-id_120390850	346.356	SWBUCAVGCZWXLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073877
FC1(CCC1)C(=O)N1CCc2nnc(COc3cncnc3)n2CC1	EMOLS-id_313736912,ZINC22_1565545833	346.359	MSUQIRJLSAYJDC-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-073878
Fc1cc(c(NC(=O)CNC(=O)C2CCCCn3nnnc23)cc1)C	PC-id_56868188	346.359	HYYXGUPJFSXGKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073879
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Cc1ccc(cc1)[N+](=O)[O-]	PC-id_90625395	346.361	FKORUODVEUCUTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073880
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Cc1ccccc1[N+](=O)[O-]	PC-id_90625492	346.361	OLLRLNGLYVOBIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073881
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Nc1cc2c(cc1)OCO2	PC-id_90625543	346.361	ZFDNFKUWEBHEMP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-073882
Cc1c(cc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2)[N+](=O)[O-]	PC-id_90625360	346.361	NMMIUOZLQPAIRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073883
Cc1c(cccc1[N+](=O)[O-])C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625359	346.361	LXDYIYISIIZZTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073884
c1(nn(cn1)CC(=O)Nc1sc2c(CCCCC2)c1C#N)N(=O)=O	PC-id_1742510,TIMTEC376890,STOCK2S-49949,EMOLS-id_1294061,ZINC22_2083615,MCULE-8069166488,CoCoCo_153955,SPECS-id_AK-968/12120550,BAS-00924223	346.364	PGBPRWNVLAIXLF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073885
S(Cc1c2-c(c(c1)C(=O)C(F)(F)F)ccccc2)c1ccccc1	PC-id_3895348	346.366	DPFDRSBPWMITIU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-073886
C=CCN(CC(F)(F)F)C(=O)CN1C(=O)CCCc2sccc12	EMOLS-id_36358642,MCULE-3735852905,PC-id_53583419,ZINC22_69584404	346.368	FJYRTDNKXBFWLJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-073887
CCCOc1cc(c2-c1ccc(cc2)CC(=O)OC)OC(=O)OCC	PC-id_17776090,SCHEMBL8527953	346.374	BHBCHCFXUUTZJL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-073888
Fc1ccc(c(c1)F)CN(C(=O)C1CCn2c(CC1)nnc2)C1CC1	EMOLS-id_316677820	346.374	RSXVDBOOMYSNCI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-073889
Fc1c(/C=C/C(=O)NCCc2n3CCCCCc3nn2)c(F)ccc1	PC-id_60544147	346.374	MFODYNWYRBFEOX-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073890
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O=C(NCc1nnc2n1CCCCC2)[C@@H]1C[C@H]1c1ccc(F)cc1F	ZINC22_112858979	346.374	LWJZBJIHOOUZEY-UONOGXRCSA-N	00100000100000110101100000000010000000000000000000000000	31-01-073895
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O=C(NCc1nnc2n1CCCCC2)[C@@H]1C[C@H]1c1c(F)cccc1F	ZINC22_116169259	346.374	PFKFNCQHDOGPNR-VXGBXAGGSA-N	00100000100000110101100000000010000000000000000000000000	31-01-073897
O(C(=O)c1c2-c(c(c1C=Cc1ccccc1)C(=O)OC)ccccc2)C	PC-id_86004779	346.376	UXHGTTAUGGDXFC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-073898
O(C(=O)c1c2-c(c(c1)/C=C/C(=O)c1ccc(OC)cc1)ccccc2)C	PC-id_10712583	346.376	GIZIARDMLITGDK-JLHYYAGUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-073899
O(C(=O)c1c2-c(c(c1)C=CC(=O)c1ccc(OC)cc1)ccccc2)C	PC-id_85241699	346.376	GIZIARDMLITGDK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-073900
O(C(=O)c1c2-c(c(c1)C(=O)/C=C/c1ccc(OC)cc1)ccccc2)C	PC-id_10545536	346.376	ADAYTIGJMHPIQI-JLHYYAGUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-073901
O(C(=O)c1c2-c(c(c1)C(=O)C=Cc1ccc(OC)cc1)ccccc2)C	PC-id_85179733	346.376	ADAYTIGJMHPIQI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-073902
O(C(=O)c1c2-c(c(c1)C(=O)/C=C/c1cc(OC)ccc1)ccccc2)C	PC-id_10593672	346.376	SVDVQUFKJZIUOB-VAWYXSNFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-073903
O(C(=O)c1c2-c(c(c1)C(=O)C=Cc1cc(OC)ccc1)ccccc2)C	PC-id_85198191	346.376	SVDVQUFKJZIUOB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-073904
O(C(=O)c1c2-c(c(c1)C(=O)/C=C/c1c(OC)cccc1)ccccc2)C	PC-id_10712584	346.376	PNZHXOVBQYDYHJ-OUKQBFOZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-073905
O(C(=O)c1c2-c(c(c1)C(=O)C=Cc1c(OC)cccc1)ccccc2)C	PC-id_85241700	346.376	PNZHXOVBQYDYHJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-073906
c1(C(=O)Nc2cc(OC)c(c(OC)c2)OC)c2CCCCCc2on1	TIMTEC566941,EMOLS-id_15972064,MCULE-1867953409,CHEMBL1556754,ChEMBL-DNDi_CHEMBL1556754,STOCK6S-93304,ZINC22_426582,PC-id_4257437	346.378	YEEMVDBMVGXPSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073907
COC(=O)c1cc(CN(C)C(=O)c2noc3c2CCCCC3)oc1C	EMOLS-id_49965430,ZINC22_97102860,PC-id_86802710,MCULE-2015004379	346.378	FCUSTOLUQMFZCC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-073908
O=C1c2c([nH]c(Cc3ccc(cc3)c3cc(O)ccc3)c2)C(=O)NCC1	PC-id_56970447	346.379	UHGAJJYULHRKOF-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-073909
O=C1CCNC(=O)c2c1ccn2Cc1ccc(c2cccc(O)c2)cc1	CHEMBL1796992,PC-id_56659736	346.379	UPMKDPPRBRLFDW-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-073910
O=C1CCNC(=O)c2c1ccn2Cc1ccc(c2ccc(O)cc2)cc1	PC-id_46946015,CHEMBL1796986	346.379	DNPBCVIMCREMEP-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-073911
c12CN(CCCn1nc(CCC(=O)O)c2)CC(=O)NCc1ccco1	ZINC22_72431004,PC-id_56898924,EMOLS-id_43126289,MCULE-2790785572	346.381	LBNCSAJMSZLURU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-073912
c1(C(=O)OC)cc2n(CCCN(C2)C(=O)C2CC(=O)N(CC=C)C2)n1	PC-id_50949537,EMOLS-id_32370648,MCULE-2431908401	346.381	ORTBNDIUHGIUOU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073913
c1(oc(nc1C)CC)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	ZINC22_72423431,EMOLS-id_43103131,MCULE-2387409067,PC-id_56893290	346.381	YWOSVUGQFSFGLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073914
c1(onc(CC(C)C)c1)C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	ZINC22_65426034,PC-id_50969618,MCULE-5061388252,EMOLS-id_32408826	346.381	QCKBDPPPNHUMPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073915
Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2noc3c2CCCCC3)n1	EMOLS-id_110601811,ZINC22_408055582,MCULE-3783969732	346.381	WFBMWRWEXNTIBE-BMIGLBTASA-N	00000000100010000101100000000010000000000000000000000000	31-01-073916
CCc1oc(cc1C(=O)O)C(=O)NCCc1nnc2n1CCCCC2	PC-id_120820829	346.381	YCVYEGFAXXYEEP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-073917
C=CCN1C[C@@H](C(=O)N2CCCn3nc(C(=O)OC)cc3C2)CC1=O	PC-id_95120172,ZINC22_65371436	346.381	ORTBNDIUHGIUOU-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073918
C=CCN1C[C@H](C(=O)N2CCCn3nc(C(=O)OC)cc3C2)CC1=O	ZINC22_65371435,PC-id_95120171	346.381	ORTBNDIUHGIUOU-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073919
COc1cc(C)ccc1OCC(=O)NCc1nnc2n1CCOCC2	EMOLS-id_320296397,MCULE-8762839142,ZINC22_1614994786	346.381	MLOOXGPOWYWVDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073920
COc1ccc(NC(=O)C2CCCCc3nn(C)c(=O)n23)c(OC)c1	MCULE-9240923010,EMOLS-id_207869451	346.381	CSWNJJRYIQJUAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073921
COc1ccc(NC(=O)Cn2nc3CCCCCn3c2=O)cc1OC	EMOLS-id_18870694,ZINC22_24769063,CoCoCo_4406394,SPECS-id_AT-687/NB01971,MCULE-1899873093,PC-id_32082531	346.381	YOKJMOWCTPUWGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073922
COc1ccc(NC(=O)Cn2nc3CCCCCn3c2=O)c(OC)c1	CoCoCo_4406405,SPECS-id_AT-687/NB01939,ZINC22_24014602,MCULE-9084329529,PC-id_17452120,EMOLS-id_13474720	346.381	ZYADPMDAEHSFGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073923
COc1ccc(OC)c(NC(=O)Cn2nc3CCCCCn3c2=O)c1	EMOLS-id_24110060,ZINC22_12924766,CoCoCo_4447313,MCULE-4440581473,PC-id_25608956,SPECS-id_AT-687/NB01933	346.381	PPXKWWUNUCBNRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073924
COc1cc(NC(=O)Cn2nc3CCCCCn3c2=O)cc(OC)c1	CoCoCo_4447321,ZINC22_11049429,SPECS-id_AT-687/NB01956,MCULE-3107166394,EMOLS-id_18857710,PC-id_41793794	346.381	CZACPSAJBUUQSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073925
COc1cc(OC)ccc1CNC(=O)C1CCCCc2n1c(=O)[nH]n2	EMOLS-id_207869281,MCULE-8659691657	346.381	ANSAZCBCGAQHSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073926
COCc1cccc(n1)C(=O)N1CCCn2c(C1)cc(n2)[C@H](CO)O	PC-id_99976144	346.381	UHEKFSKDRIPBPK-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073927
COCc1cccc(n1)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](CO)O	PC-id_99976147	346.381	UHEKFSKDRIPBPK-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073928
COCc1cccc(n1)C(=O)N1CCCn2nc(cc2C1)C(O)CO	MCULE-6693028737,PC-id_91779276,EMOLS-id_55657710	346.381	UHEKFSKDRIPBPK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-073929
COC(=O)c1c(C)[nH]c(C(=O)Cn2nc3n(c2=O)CCCCC3)c1C	PC-id_16386529,MCULE-6021788997,CoCoCo_4406416,ZINC22_9515081,EMOLS-id_11857460	346.381	OUVVYJOJMQRBIS-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-073930
O=C(c1coc2c1C(=O)NCC(C2)(C)C)N1CCOC(C1)C1(C)N=N1	EMOLS-id_320289053,MCULE-7141021911	346.381	GWNUNEOGXPSKTM-UHFFFAOYSA-N	00110000100010000101100000000010000000000000000000000000	31-01-073931
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)c1noc(c1)CCC	PC-id_56912570	346.381	JZZUXSHIBMRAIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073932
Cc1cc2nc(NC(=O)[C@@H]3CCc4nnnn4CC3)sc2cc1F	ZINC22_1457079403	346.383	IZWPLJCQUSLUCT-SECBINFHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073933
Cc1cc2nc(NC(=O)[C@H]3CCc4nnnn4CC3)sc2cc1F	ZINC22_1457079407	346.383	IZWPLJCQUSLUCT-VIFPVBQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-073934
O=C1N(c2n(Cc3ccccc3)cnc2C(=O)NC1)Cc1ccccc1	PC-id_10427723	346.383	AWUXCLLONOVGCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073935
O=C(C1CCn2c(CC1)nnn2)Nc1sc2c(n1)cc(c(c2)F)C	EMOLS-id_318786382	346.383	IZWPLJCQUSLUCT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-073936
c12CN(CCCn1nc(CNC(=O)c1cc(no1)C)c2)C(=O)N(C)C	MCULE-2073116632,EMOLS-id_44443461,PC-id_70761893,ZINC22_82134466	346.384	YFELGSDJYWMQGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073937
c12CN(CCCn1nc(CNC(=O)c1c(C)ocn1)c2)C(=O)N(C)C	PC-id_72845250,MCULE-9529928769,ZINC22_92081956,EMOLS-id_46030591	346.384	JFIFAVSXBZGCTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073938
c12CN(CCCn1nc(CNC(=O)c1cnoc1C)c2)C(=O)N(C)C	MCULE-3740294148,ZINC22_82125810,EMOLS-id_44441385,PC-id_70755713	346.384	UNTFBQRWTXCCEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073939
c12CN(CCCn1nc(CO)c2)Cc1cnc(nc1)N(C)CC(=O)O	PC-id_91773414,EMOLS-id_55640684,ZINC22_217167437,MCULE-6077585854	346.384	ZSTUQHOXPDRVTA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073940
c12C(=O)NCC(O)Cn1nc(C(=O)NCc1c(C)nn(CC)c1C)c2	EMOLS-id_82700575,MCULE-8629283979,PC-id_119058884	346.384	GEUNHBYHBBMXQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073941
c12C(=O)NCC(O)Cn1nc(C(=O)NCc1[nH]nc(C(C)(C)C)c1)c2	PC-id_119059485,EMOLS-id_82702195,MCULE-7044939825	346.384	WIPOUHACWOFLSX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073942
C1CCn2c(nnc2C(=O)N2CCCn3c(cc(n3)C(CO)O)C2)C1	PC-id_91762222	346.384	AWORTPIIUKXTQB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-073943
c1(C(=O)NCCc2noc(C3CCCO3)n2)cn2c(CCNCC2)n1	MCULE-5731088818,EMOLS-id_330369777	346.384	AXHRJHVAHOJZPN-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-073944
Cc1nc([C@H]2CCCN2C(=O)Cn2nc3n(c2=O)CCCCC3)no1	PC-id_96099371,ZINC22_76043462	346.384	YKBCRTKHAKVSJO-GFCCVEGCSA-N	00000010100000000101100000000010000000000000000000000000	31-01-073945
Cc1nc([C@@H]2CCCN2C(=O)Cn2nc3n(c2=O)CCCCC3)no1	ZINC22_76043459,PC-id_96099370	346.384	YKBCRTKHAKVSJO-LBPRGKRZSA-N	00000010100000000101100000000010000000000000000000000000	31-01-073946
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCc1nnc2n1CCCCC2	ZINC22_44896793,EMOLS-id_31875444,PC-id_45805030,MCULE-3668326523	346.384	MQSHYFOMFFDOAN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073947
Cc1onc(n1)C1CCCN1C(=O)Cn1nc2n(c1=O)CCCCC2	MCULE-5247724981,PC-id_72123962,EMOLS-id_43383553	346.384	YKBCRTKHAKVSJO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-073948
CCCc1[nH]nc(C(=O)N2Cc3c[nH]nc3CC(C)(C)C2)c1[N+](=O)[O-]	EMOLS-id_320364135,PC-id_139020533,ZINC22_596004274,MCULE-8447688486	346.384	FNJFYHFACJDGTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073949
CC(C)(C)c1cc(CNC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)[nH]n1	ZINC22_426384001	346.384	WIPOUHACWOFLSX-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-073950
CC(C)(C)c1cc(CNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)[nH]n1	ZINC22_426384002	346.384	WIPOUHACWOFLSX-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073951
CCn1nc(C)c(CNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)c1C	ZINC22_426368211	346.384	GEUNHBYHBBMXQV-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073952
CCn1nc(C)c(CNC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)c1C	ZINC22_426368214	346.384	GEUNHBYHBBMXQV-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-073953
COc1cc(C(=O)N2CCCn3nnc(CN4CCCC4)c3C2)on1	EMOLS-id_313729243,ZINC22_1565555094	346.384	RHRDUYFLPFFTML-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-073954
COCCn1nc2CCN(CCn2c1=O)C(=O)c1cc([nH]n1)C1CC1	EMOLS-id_50590139,PC-id_91922542,MCULE-5031739024	346.384	YQXUQRFKCCJYMO-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-073955
COCCn1nc(C(=O)NCc2nnc3n2CCCCC3)ccc1=O	PC-id_30547222,ZINC22_22701176,CoCoCo_4210505,EMOLS-id_31855401,MCULE-9190269109	346.384	YIYWLZGSHXVQGS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-073956
COCCNC(=O)c1ccc2CCN(CCn12)C(=O)c1ncn(C)n1	EMOLS-id_313776065,ZINC22_1565544205	346.384	ASSCVEQANLHMFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073957
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1nnc2n1CCCC2)O	PC-id_99971805	346.384	AWORTPIIUKXTQB-ZDUSSCGKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-073958
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1nnc2n1CCCC2)O	PC-id_99971806	346.384	AWORTPIIUKXTQB-CYBMUJFWSA-N	00000000100010000101000000010010000000000000000000000000	31-01-073959
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)[C@@H](N)Cc1[nH]cnc1	PC-id_56881789	346.384	IKWGABPYOKLLPQ-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073960
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)C(N)Cc1[nH]cnc1	PC-id_76422711	346.384	IKWGABPYOKLLPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073961
O=C(NCCc1noc([C@H]2CCCO2)n1)c1cn2c(n1)CCNCC2	ZINC22_1857716191	346.384	AXHRJHVAHOJZPN-GFCCVEGCSA-N	00000010100000000101100000000010000000000000000000000000	31-01-073962
O=C(NCCc1noc([C@@H]2CCCO2)n1)c1cn2c(n1)CCNCC2	ZINC22_1857716192	346.384	AXHRJHVAHOJZPN-LBPRGKRZSA-N	00000010100000000101100000000010000000000000000000000000	31-01-073963
c1(C(=O)N2CCCn3nc(C#N)cc3C2)cc(nn1C)c1ccccc1	MCULE-7403322382,ZINC22_65376045,EMOLS-id_32376738,PC-id_50952668	346.386	PZTFGZMLGGXTHY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-073964
C=C/C=NNc1ccc(cc1)Cn1ccccccc2-c(n1)c(=O)[nH]n2	PC-id_144043274	346.386	RBLUYZWBAHOAKS-WCQWSNESSA-N	00000010100000110111000000000010000000000000000000000000	31-01-073965
N#Cc1cccc(c1)n1ccc(n1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320212136,MCULE-1969688697	346.386	KMQZPFYDLAFSCI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-073966
N#Cc1cccc(C(=O)N2Cc3nccn3C[C@H](Cn3cccn3)C2)c1	PC-id_97463004,ZINC22_96188570	346.386	VFITVDZGFWRJON-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073967
N#Cc1cccc(C(=O)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)c1	PC-id_97463005,ZINC22_96188571	346.386	VFITVDZGFWRJON-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073968
N#Cc1cccc(C(=O)N2CCc3ncc(Cn4cccn4)n3CC2)c1	EMOLS-id_44328855,ZINC22_96196962,PC-id_97467106	346.386	QTRQERBNCCCPBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073969
N#Cc1ccc(C(=O)N2Cc3nccn3C[C@H](Cn3cccn3)C2)cc1	PC-id_97389389,ZINC22_96067065	346.386	DXJDBJCDRURYML-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073970
N#Cc1ccc(C(=O)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)cc1	ZINC22_96067064,PC-id_97389388	346.386	DXJDBJCDRURYML-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073971
N#Cc1ccc(C(=O)N2CCc3ncc(Cn4cccn4)n3CC2)cc1	ZINC22_96196965,PC-id_97467109,EMOLS-id_44328861	346.386	WHOHZVUVUAMEPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073972
O=C(N1CC(Cn2cccn2)Cn2ccnc2C1)c1cccc(c1)C#N	EMOLS-id_44326413	346.386	VFITVDZGFWRJON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073973
O=C(N1CC(Cn2cccn2)Cn2ccnc2C1)c1ccc(cc1)C#N	EMOLS-id_46160689	346.386	DXJDBJCDRURYML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073974
O=C(N1CCCn2c(C1)cc(n2)CNC(=O)c1[nH]nc(c1)N)N(C)C	PC-id_102602805	346.388	MVMUFRPZBJQJCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073975
c12CN(CCCn1nc(CNC(=O)CCC(F)(F)F)c2)CC(C)C	ZINC22_82092705,MCULE-1643377344,PC-id_70713676,EMOLS-id_44426655	346.391	UGJHSDLVDXIZCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073976
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(s1)C(F)(F)F	EMOLS-id_319582001	346.391	VKNOZFJOJWMQES-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-073977
Cc1nc2c(s1)N(CCCC2)C(=O)c1scc(c1)C(F)(F)F	MCULE-6772151013,EMOLS-id_320163203	346.391	DPADSYGIROYKFC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-073978
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCCN(C)C	PC-id_19523689	346.391	CPLLAOVOASYMFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073979
O=C(N1CCCc2c(C1)cnn2C)NC(C(F)(F)F)CC(C)(C)C	EMOLS-id_101869125	346.391	DXSXCHHFTAYXDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073980
c1(NC(=O)c2c(cccc2F)F)sc2c(CCCCCC2)c1C#N	CoCoCo_5832579,PC-id_841569,MCULE-1188513856,EMOLS-id_4024947,TIMTEC230239,SPECS-id_AK-968/40733779,ZINC22_371636	346.394	IYUUEUMPIYKCRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073981
CCNC(=NCCC(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_109474075	346.394	NCUUNOSZXZMYQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073982
CN=C(NCCC(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_109472677	346.394	GMQWBNAQTIYJDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-073983
N#Cc1c(/N=C/c2ccccc2OC(F)F)sc2c1CCCCC2	CoCoCo_3631783,ZINC22_3228920,PC-id_9660887	346.394	RPSVHUQHLWUPJF-SSDVNMTOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073984
N#Cc1c(/N=Cc2ccccc2OC(F)F)sc2c1CCCCC2	CoCoCo_3631784	346.394	RPSVHUQHLWUPJF-JJFYIABZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073985
N#Cc1c(N=Cc2ccccc2OC(F)F)sc2c1CCCCC2	EMOLS-id_26151835,MCULE-1011775306,PC-id_2347041	346.394	RPSVHUQHLWUPJF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073986
s1c2CCCCCc2cc1C(=O)NC(c1c(F)cc(F)cc1)C#N	PC-id_56584443	346.394	FXVSXWGUKOAPNQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-073987
CN(Cc1cc(c2-c1ccccc2)/C=C
/C(=O)Nc2c1cc(F)cc2)C	SCHEMBL13324662	346.397	SIZJUHJLCUOCRB-RGVLZGJSSA-N	00000010100000100110000000001010000000000000000000000000	31-01-073988
CN(Cc1cc(c2-c1ccccc2)/C=C/1C(=O)Nc2c1cc(F)cc2)C	SCHEMBL3283971,PC-id_59301675	346.397	SIZJUHJLCUOCRB-JAIQZWGSSA-N	00000010100000100110000000001010000000000000000000000000	31-01-073989
CN(Cc1cc(c2-c1ccccc2)C=C1C(=O)Nc2c1cc(F)cc2)C	SCHEMBL3283974,PC-id_59301629	346.397	SIZJUHJLCUOCRB-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-073990
CN(Cc1c(/C=C/2C(=O)Nc3c2cc(F)cc3)cc2-c1ccccc2)C	PC-id_68581244,SCHEMBL3285328	346.397	AKBLMVPJGQBFNP-ODLFYWEKSA-N	00000010100000100110000000001010000000000000000000000000	31-01-073991
CN(Cc1c(/C=C/C(=O)Nc3c2cc(F)cc3)cc2-c1ccccc2)C	SCHEMBL13324658	346.397	AKBLMVPJGQBFNP-YBFXNURJSA-N	00000010100000100110000000001010000000000000000000000000	31-01-073992
Fc1cc2C(=Cc3c(c4-c(c3)ccccc4)CN(C)C)C(=O)Nc2cc1	PC-id_25264342	346.397	AKBLMVPJGQBFNP-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-073993
CC(C)(Oc1ccc(F)cc1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_30666751,ZINC22_41820865,MCULE-2699963814,PC-id_47019773	346.399	TXQLCCLTCYKJAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073994
C[C@@H](NC(=O)CCOc1ccc(F)cc1)c1nnc2n1CCCCC2	PC-id_94048016,ZINC22_45348267	346.399	PTMVXLMJQRQVAT-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073995
C[C@H](NC(=O)CCOc1ccc(F)cc1)c1nnc2n1CCCCC2	ZINC22_45348264,PC-id_94048015	346.399	PTMVXLMJQRQVAT-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073996
C[C@H](NC(=O)[C@@H](C)Oc1cccc(F)c1)c1nnc2n1CCCCC2	ZINC22_24916631	346.399	VBHGDCABSVEPME-QWHCGFSZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073997
C[C@@H](Oc1cccc(F)c1)C(=O)N[C@H](C)c1nnc2n1CCCCC2	ZINC22_24916626	346.399	VBHGDCABSVEPME-CHWSQXEVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073998
C[C@H](Oc1cccc(F)c1)C(=O)N[C@H](C)c1nnc2n1CCCCC2	ZINC22_24916636	346.399	VBHGDCABSVEPME-OLZOCXBDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-073999
C[C@H](Oc1cccc(F)c1)C(=O)N[C@@H](C)c1nnc2n1CCCCC2	ZINC22_24916642	346.399	VBHGDCABSVEPME-STQMWFEESA-N	00000000100000110101000000000010000000000000000000000000	31-01-074000
CN(C)CC1CCn2nccc2CN1C(=O)COc1ccc(F)cc1	EMOLS-id_313816876	346.399	ZLVVXPVILTZKIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074001
CN(C)C[C@@H]1CCn2nccc2CN1C(=O)COc1ccc(F)cc1	ZINC22_585098582	346.399	ZLVVXPVILTZKIR-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074002
CN(C)C[C@H]1CCn2nccc2CN1C(=O)COc1ccc(F)cc1	ZINC22_585098585	346.399	ZLVVXPVILTZKIR-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074003
CN(C)C(=O)CO[C@H]1CN(Cc2ccccc2F)Cc2ccnn2C1	ZINC22_248016056	346.399	QFPXDBFDIYJTDT-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074004
CN(C)C(=O)CO[C@@H]1CN(Cc2ccccc2F)Cc2ccnn2C1	ZINC22_248016062	346.399	QFPXDBFDIYJTDT-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074005
COc1ccc(cc1F)C(=O)N1Cc2ccnn2CCC1CN(C)C	EMOLS-id_313816620	346.399	LZSRGAOPJKIMJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074006
COc1ccc(CCC(=O)NCc2nnc3n2CCCCC3)cc1F	CoCoCo_4625777,MCULE-2765472220,EMOLS-id_31875440,PC-id_45805028,ZINC22_40489063	346.399	BZSVEZZRTSZYOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074007
COc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)cc1F	ZINC22_585097468	346.399	LZSRGAOPJKIMJO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074008
COc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)cc1F	ZINC22_585097470	346.399	LZSRGAOPJKIMJO-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074009
COc1cc(CN2CCc3nn(CC4CC4)c(=O)n3CC2)ccc1F	MCULE-6804626349,EMOLS-id_50590055,PC-id_91922470	346.399	VRFZKZABEBMQNN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-074010
COCC(=O)NCC1CCn2nccc2CN1Cc1ccccc1F	EMOLS-id_313815592	346.399	UYODRELVZLAKNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074011
COCC(=O)NC[C@@H]1CCn2nccc2CN1Cc1ccccc1F	ZINC22_585098150	346.399	UYODRELVZLAKNO-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074012
COCC(=O)NC[C@H]1CCn2nccc2CN1Cc1ccccc1F	ZINC22_585098151	346.399	UYODRELVZLAKNO-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074013
Fc1ccc(c(c1)OC(C)(C)C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319251879	346.399	NSKFQBMSFUZNDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074014
Fc1cccc(c1)OC(C(=O)NC(c1nnc2n1CCCCC2)C)C	MCULE-8539393591,EMOLS-id_45748980,PC-id_71897995	346.399	VBHGDCABSVEPME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074015
Fc1ccc(OCCC(=O)NC(c2n3CCCCCc3nn2)C)cc1	PC-id_71897996,EMOLS-id_45748978,MCULE-4424781823	346.399	PTMVXLMJQRQVAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074016
c1(NC(=O)COc2ccc3c(OCO3)c2)sc2c(CCCCC2)n1	MCULE-9839993709,EMOLS-id_323359176	346.401	DDBUSZYZMICISY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-074017
COc1cc2OCOc2cc1C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318904384	346.401	ICHMSCYAGOYBCQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-074018
O=C(c1ccc(c(c1)O)O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_145998885	346.401	NGKPDYYPWHXGQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074019
O=C(c1noc2c1CCCCC2)Nc1ccc2c(c1)S(=O)(=O)CC2	EMOLS-id_111426432	346.401	ZXUUEZGSYQGBQZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-074020
O=C(c1noc2c1CCCCC2)NC1CS(=O)(=O)c2c1cccc2	EMOLS-id_111879724	346.401	NBNHNDSLKPEFCZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-074021
s1c2CCCCCc2cc1C(=O)NCc1c(O)ccc([N+](=O)[O-])c1	PC-id_9155068	346.401	NYZNLSXJHPBINX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074022
OC(=O)c1sc(nc1c1ccccc1)Nc1cccc2-c(c1)ccc2	PC-id_122370948	346.402	VPMDHTBPIHCCFO-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-074023
Fc1ccc(c(c1)C(NC(=O)C1CCn2c(CC1)nnn2)C)N(C)C	EMOLS-id_319958685,MCULE-8545492587	346.403	IYYHTVFJRQUBQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074024
Fc1cnc(NCc2n[nH]c3c2CCCCC3)nc1N1CCOCC1	MCULE-6365533259,ZINC22_1529173637,PC-id_134708317,EMOLS-id_316152060	346.403	ZTNPOKXVHMJXOK-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-074025
c12C(=O)NCCCc1nc(NC(=O)Nc1ccccc1OCC)s2	EMOLS-id_50139279,ZINC22_206890119,PC-id_76150359,MCULE-7319919986	346.404	UWLLNYMHTPWMAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074026
c12C(=O)NCCCc1nc(NC(=O)NCc1ccc(OC)cc1)s2	MCULE-7902821384,ZINC22_206890244,EMOLS-id_50139283,PC-id_76150361	346.404	CEFWLRGRMQWLLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074027
c1(cc2c(ccs2)[nH]1)C(=O)N1CCCn2c(cc(n2)C(CO)O)C1	PC-id_91764367,MCULE-6180675505,EMOLS-id_55614999	346.404	QSXVGOKRQXBQLF-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-074028
c1(C(=O)OC)cc2n(CCCN(C(=O)CSc3ccncc3)C2)n1	MCULE-2515141342,ZINC22_65494087,EMOLS-id_32426222,PC-id_50978863	346.404	YNGRBMUQJQHQOF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074029
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)Cc1noc2c1cccc2	EMOLS-id_319534626	346.404	BGVKIMBZOBPXGR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074030
Cc1ccc2c(c1)CC(S2(=O)=O)C(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319601194	346.404	LIHYLBDEVTUYQB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-074031
Cc1nc(O)nc(c1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_44531213,MCULE-1280369077,PC-id_71895229	346.404	QHMOJSGTIAHRTM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-074032
CCOc1ccc(cc1)NC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625542	346.404	PSTJWKFCRVKCBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074033
Cn1ncc2c1CCCN(C2)S(=O)(=O)Cc1noc2c1cccc2	EMOLS-id_101950806	346.404	YMIWRDUYEPFJNE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074034
CNc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1[N+](=O)[O-]	CoCoCo_4564198,ZINC22_12633717,EMOLS-id_17166295,MCULE-8556990543,GD-id_ZINC12633717,PC-id_24234026	346.404	NVYOWPUOFFRULF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074035
COc1ccc(cc1)CNc1nc2c(s1)C(=O)N(CC(=O)N2C)C	PC-id_142739053	346.404	OMCXYEDUFRLCOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074036
COc1cccc(NC(=O)N2CCc3nc(C(=O)N)sc3CC2)c1	EMOLS-id_44303952,PC-id_97442516,ZINC22_96146992	346.404	GPMBOJLOHZWIIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074037
COCC(=O)N1CCc2nc(C(=O)Nc3cccnc3)sc2CC1	EMOLS-id_44303820,ZINC22_96146926,PC-id_97442450	346.404	JMYCUKIOMGUXIE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074038
COCC(=O)N1CCc2nc(C(=O)N=c3cc[nH]cc3)sc2CC1	ZINC22_2055793466,EMOLS-id_313793850	346.404	HUFDMPIPKAOQME-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074039
COC(=O)c1ccccc1SCCn1cnc2c1NC=NCC2O	PC-id_10497770,CHEMBL288607,BindingDB_PC-id_10497770	346.404	QKQVSFVWPDVKQT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-074040
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1cc2c([nH]1)ccs2)O	PC-id_99972093	346.404	QSXVGOKRQXBQLF-AWEZNQCLSA-N	00000000100000000101000100000010000000000000000000000000	31-01-074041
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1cc2c([nH]1)ccs2)O	PC-id_99972094	346.404	QSXVGOKRQXBQLF-CQSZACIVSA-N	00000000100000000101000100000010000000000000000000000000	31-01-074042
O=C(CSc1nnc2n1CCCCC2)Nc1ccc2c(c1)OCO2	CoCoCo_3082118,MCULE-5528156059,PC-id_9206635,ZINC22_8073910,EMOLS-id_3662426	346.404	YJYSSXXKPBSASL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-074043
O=S(=O)(N1CCCc2c(C1)c[nH]n2)CCc1noc2c1cccc2	EMOLS-id_318366587	346.404	CKMAFKCKRZEYGG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074044
s1c2CCCCCc2cc1C(=O)NNC(=O)c1nn(c(=O)cc1)C	PC-id_24588168	346.404	ZNVMRJUJNSPPMB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-074045
s1c2c(CCCCC2)c(c1NC(=O)c1nn(c(=O)cc1)C)C(=O)N	PC-id_60388198	346.404	VDNGMBJXIFSNEX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-074046
s1c2CCCCCc2nc1NC(=O)c1c(NC)ccc([N+](=O)[O-])c1	PC-id_16962208	346.404	JAGZQFXHCREYCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074047
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1N=NC(=O)C=C1	PC-id_74617782	346.404	MRRJVXBKUKXEHR-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-074048
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1n[nH]c(=O)cc1	PC-id_31717439	346.404	SBGVJRWSBZDOHA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-074049
s1c2CCCCCCc2nc1NC(=O)c1cc([N+](=O)[O-])c(N)cc1	PC-id_60571615	346.404	WBVTVBOKBRNUAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074050
S(c1n2CCCCCc2nn1)CC(=O)c1cc([N+](=O)[O-])c(cc1)C	PC-id_7876867	346.404	VALNNFBETQJAQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074051
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc2c(c1)nnn2C	EMOLS-id_319465001	346.407	VBMZJTIPAPSMKI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074052
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cccc2c1nnn2C	MCULE-2607936773,EMOLS-id_320282788	346.407	YUTJISIEMDLPMZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074053
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cnc2c(c1)cnn2C	MCULE-3454708121,EMOLS-id_320176695	346.407	UFHXSEFPACNRTH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074054
CC1(C)Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cnn2c1cccn2	MCULE-3080749184,EMOLS-id_319902410	346.407	BLRQIAJLDATDOH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074055
CS(=O)(=O)N1CCCn2nc(CNc3ccc(cn3)C#N)cc2C1	MCULE-2398415628,EMOLS-id_44440663,ZINC22_82121746,PC-id_70753541	346.407	VRUNIIGUNWJTTI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074056
CS(=O)(=O)N1CCCn2nc(CNc3cc(ccn3)C#N)cc2C1	MCULE-7015414915,PC-id_70767142,ZINC22_82137571,EMOLS-id_44445321	346.407	FVNKOWXBJRPWQE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074057
O=C(c1cnc2n(c1=O)CCS2)NCc1nnc2n1CCCCC2	MCULE-6910642476,CoCoCo_4336686,EMOLS-id_20081889,PC-id_24676704	346.407	ZZZPGQZAYJIXNZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-074058
O=C(c1csnn1)N1CCCn2ncc(C(=O)N3CCCC3)c2C1	ZINC22_1565544184,EMOLS-id_313773516	346.407	ZHJYUZTVIMMKSR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-074059
O=C(c1cc2c(s1)CCCCC2)NC1CCN(C1)CC(F)(F)F	MCULE-4119410997,PC-id_49060183,EMOLS-id_44560257	346.411	PXDDROMPOUCFHY-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-074060
O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cc2c(s1)CCCCC2	PC-id_97010561,ZINC22_84338886	346.411	PXDDROMPOUCFHY-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-074061
O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc2c(s1)CCCCC2	ZINC22_61583026,PC-id_94886656	346.411	PXDDROMPOUCFHY-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-074062
s1c2CCCCCc2nc1NC(=O)C1CC(CCC1)C(F)(F)F	PC-id_55776116	346.411	DXASYFIKJOOJOJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-074063
s1c2CCCCCc2nc1NC(=O)C1C(CCCC1)C(F)(F)F	PC-id_55788855	346.411	CFYXEQBPCUUJTP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-074064
Fc1ccc(CN2Cc3ccnn3C[C@@H](CN3CCCC3)C2)cc1F	ZINC22_247492056	346.417	BUQYYXPBHYYRCH-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-074065
Fc1ccc(CN2Cc3ccnn3C[C@H](CN3CCCC3)C2)cc1F	ZINC22_247492062	346.417	BUQYYXPBHYYRCH-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-074066
Fc1ccc(CN2CC(CN3CCCC3)Cn3nccc3C2)cc1F	EMOLS-id_50373411	346.417	BUQYYXPBHYYRCH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-074067
c1(NC(=O)c2ccccc2F)sc2c(CCCCC2)c1C(=O)NC	PC-id_711564,MCULE-6016039115,EMOLS-id_2142003,CoCoCo_768809,ChEMBL-DNDi_CHEMBL6368090,TIMTEC148096,ZINC22_103375,ChEMBL-DNDi_CHEMBL3487-1248	346.419	FKXJSOXQXICEON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074068
c1(NC(=O)c2ccc(cc2)F)sc2c(CCCCCC2)c1C(=O)N	MCULE-9062132002,CoCoCo_908623,ZINC22_2749798,PC-id_2933769,EMOLS-id_2202982,TIMTEC55260	346.419	AODBVAASCJSNQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074069
c1(NC(=O)c2ccccc2F)sc2c(CCCCCC2)c1C(=O)N	TIMTEC203278,CK1344814,CoCoCo_742831,SCHEMBL12218351,SPECS-id_AK-968/12162110,PC-id_874533,ChEMBL-DNDi_CHEMBL6127501,ZINC22_442591,MCULE-6874837623,EMOLS-id_1094834	346.419	HUWYRDGVVDEJSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074070
c1(NC(=O)c2cccc(F)c2)sc2c(CCCCCC2)c1C(=O)N	ZINC22_483808,SPECS-id_AK-968/12514028,PC-id_903568,EMOLS-id_4025047,MCULE-4485660159,CoCoCo_6785951	346.419	KXBYMLHPZWGLMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074071
c1(NC(=O)Cc2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)N	PC-id_7597238,ChEMBL-DNDi_CHEMBLF2726-0810,CoCoCo_5174568,EMOLS-id_5605311,MCULE-6381899310,ZINC22_5268373	346.419	OCZSFEBEPXVOFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074072
CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)c(F)c1	ZINC22_95464320,EMOLS-id_48323344,MCULE-8521153643,PC-id_75400997	346.419	OUVZYSAVAWUNSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074073
NC(=O)c1c(NC(=O)Cc2ccccc2F)sc2c1CCCCC2	CoCoCo_3250497,PC-id_16391725,ZINC22_9953736,MCULE-1759878730,EMOLS-id_11869676	346.419	XOOLQGDBCQWRDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074074
O=C(c1sc2c(c1)CCCCCC2)NNC(=O)c1ccccc1F	EMOLS-id_30663318,MCULE-4495787105,PC-id_9441633	346.419	CJFZVUFCZOQTPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074075
O=C(CN1C(=O)CCCc2sccc12)NCCc1ccc(F)cc1	EMOLS-id_36702788,ZINC22_69659514,MCULE-2788579147,PC-id_53592868	346.419	IWPRCWJHJUTGHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074076
O(CC(=O)c1c2-c(c(CCC)c1)ccccc2)c1c(cc(cc1)C)C=O	PC-id_10926055	346.419	MJMJTFXNFRWRBO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-074077
O(CC(=O)c1c2-c(c(CCC)c1)ccccc2)c1c(cccc1C=O)C	PC-id_10860922	346.419	ANPJEBRPLMFGFW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-074078
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(F)c(OC)cc1	PC-id_84890290	346.419	XIXAQHFHLKQXMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074079
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(F)c(cc1)C	PC-id_9092554	346.419	XUDBXEJIAXGOMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074080
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1cc(F)ccc1	PC-id_31845166	346.419	JBDGFWKZBCMCTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074081
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(F)cc1)C(=O)NC	PC-id_7475054	346.419	JDPFAHGAPYELOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074082
s1c2c(CCCCC2)c(c1NC(=O)c1cc(F)ccc1)C(=O)NC	PC-id_7475055	346.419	QQBKFCHSRLUHRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074083
s1c2c(CCCCC2)c(c1NC(=O)Cc1cc(F)ccc1)C(=O)N	PC-id_52894691	346.419	LLPIKDOKWGFHRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074084
s1c2CCCCCCc2cc1C(=O)Nc1cc(c(F)cc1)C(=O)N	PC-id_40259768	346.419	HSORRDIMTJBDCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074085
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(F)cc1	PC-id_9441626	346.419	LFDDVUJHTGDQTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074086
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(F)ccc1	PC-id_24643145	346.419	FEEYSQSADNDFEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074087
c1(C(=O)N(CCCOCC)Cc2ccco2)c2CCCCCc2on1	PC-id_20923881,CoCoCo_2401443,MCULE-3749592701,EMOLS-id_16234867	346.421	UOGHLBFDLAZRDN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074088
CC1(C)CNC(=O)c2c(C(=O)NCC3(C4(O)CCC4)CC3)coc2C1	MCULE-6656237993,PC-id_136566894,EMOLS-id_316944836,ZINC22_887539494	346.421	SNXQCWJYIWNGIP-UHFFFAOYSA-N	00101000100000000100100000000010000000000000000000000000	31-01-074089
CCOC(=O)c1c(oc2c1cc(ccc2=NCCN(C)C)C(C)C)O	PC-id_135511968	346.421	WKCZGVAUCVISPF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-074090
COC1C2CCCC2C1NC(=O)c1coc2c1C(=O)NCC(C2)(C)C	EMOLS-id_320015142,MCULE-1458777346	346.421	FPFRZTCNTIXNHI-UHFFFAOYSA-N	00001010100000000100001000000010000000000000000000000000	31-01-074091
COC(=O)C1CC2C(N1C(=O)c1noc3c1CCCCC3)CCCC2	MCULE-8696500214,EMOLS-id_76037804,PC-id_119043887	346.421	PEFSBIBNJSONEG-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-074092
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1noc2c1CCCCC2	ZINC22_188460883	346.421	PEFSBIBNJSONEG-QEJZJMRPSA-N	00000010100010000101000000000110000000000000000000000000	31-01-074093
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1noc2c1CCCCC2	ZINC22_188460934	346.421	PEFSBIBNJSONEG-SNPRPXQTSA-N	00000010100010000101000000000110000000000000000000000000	31-01-074094
COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1noc2c1CCCCC2	ZINC22_241588579	346.421	PEFSBIBNJSONEG-CFVMTHIKSA-N	00000010100010000101000000000110000000000000000000000000	31-01-074095
COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1noc2c1CCCCC2	ZINC22_241588580	346.421	PEFSBIBNJSONEG-YUELXQCFSA-N	00000010100010000101000000000110000000000000000000000000	31-01-074096
o1c2-c(cc(C(C)C)ccc2NCCN(C)C)c(c1=O)C(=O)OCC	PC-id_10472812	346.421	WWBVGEULERMTSU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-074097
O=C1CCCCC1C1COCCN1C(=O)c1noc2c1CCCCC2	MCULE-3222951740,PC-id_119034450,EMOLS-id_53781675	346.421	MYHQWOJUQRYBBO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-074098
O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)c1noc2c1CCCCC2	PC-id_99702797,ZINC22_156658877	346.421	MYHQWOJUQRYBBO-ZFWWWQNUSA-N	00000000100010000101100000000010000000000000000000000000	31-01-074099
O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)c1noc2c1CCCCC2	PC-id_99702798,ZINC22_156658989	346.421	MYHQWOJUQRYBBO-UKRRQHHQSA-N	00000000100010000101100000000010000000000000000000000000	31-01-074100
O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)c1noc2c1CCCCC2	ZINC22_156658740,PC-id_99702796	346.421	MYHQWOJUQRYBBO-DZGCQCFKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-074101
O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)c1noc2c1CCCCC2	ZINC22_156659117,PC-id_99702799	346.421	MYHQWOJUQRYBBO-HIFRSBDPSA-N	00000000100010000101100000000010000000000000000000000000	31-01-074102
CCCNC(=O)c1cccc(c1)NC(=O)Cc1ccc2-c1ccccc2	PC-id_139996501	346.422	NKUWVUZEEXEKKP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-074103
CNC(=O)c1cccc(c1)NC(=O)Cc1cc(c2-c1ccccc2)CC	PC-id_139996493	346.422	CDKKOTZDFFGKJM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-074104
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)[C@H]1CCCO1	EMOLS-id_46076953,PC-id_72909311,MCULE-5242421756,ZINC22_91808210	346.424	NRGFFPWMSGPERE-MRXNPFEDSA-N	00100010100000000101000000000010000000000000000000000000	31-01-074105
c12CN(CCCn1nc(CNC(=O)c1ccc(OC)o1)c2)CC(C)C	MCULE-6372355131,EMOLS-id_44446065,PC-id_70769274,ZINC22_82138523	346.424	ICZRSJHKZCCTKV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074106
c12C(=O)NCC(O)Cn1nc(C(=O)N(CC)CCC1=CCCCC1)c2	PC-id_119073575,EMOLS-id_82740077,MCULE-5646786931	346.424	OLDUZGWZJANOCU-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-074107
c12C(=O)NCC(O)Cn1nc(C(=O)NCC=C(C)CC/C=C(/C)C)c2	MCULE-5782383508,PC-id_91841993	346.424	CALUKHHCSGVGHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074108
c1(cc(oc1C)C)C(=O)N1CCCn2c(cc(n2)C(O)CN(C)C)C1	EMOLS-id_55660767,MCULE-4995022900,PC-id_91780308	346.424	ADFKFPIGESQOQD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074109
c1(CN2CCCn3nc(CO)cc3C2)cc(oc1C(C)(C)C)C(=O)N	EMOLS-id_55671269,MCULE-3452348735,PC-id_91783969	346.424	WPNNJQIHUQQXRJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074110
Cc1ccc(CN2Cc3ccnn3C[C@H](COCC(=O)N(C)C)C2)o1	PC-id_97463483,ZINC22_96189066	346.424	OLVJXTGMSASQLQ-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074111
Cc1ccc(CN2Cc3ccnn3C[C@@H](COCC(=O)N(C)C)C2)o1	ZINC22_96189067,PC-id_97463484	346.424	OLVJXTGMSASQLQ-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074112
Cc1ccc(CN2Cc3nccn3C[C@H](COCC(=O)N(C)C)C2)o1	PC-id_97381782,ZINC22_96059129	346.424	AXNQPHROXZUWCW-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074113
Cc1ccc(CN2Cc3nccn3C[C@@H](COCC(=O)N(C)C)C2)o1	ZINC22_96059130,PC-id_97381783	346.424	AXNQPHROXZUWCW-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074114
Cc1cc(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)c(C)o1	PC-id_100062449,ZINC22_220644928	346.424	ADFKFPIGESQOQD-KRWDZBQOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074115
Cc1cc(C(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)c(C)o1	PC-id_100062451,ZINC22_220644995	346.424	ADFKFPIGESQOQD-QGZVFWFLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074116
CC(=CCC/C(=C/CNC(=O)c1cc2C(=O)NCC(O)Cn2n1)/C)C	EMOLS-id_55696771	346.424	CALUKHHCSGVGHA-NTUHNPAUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074117
CC(=CCC/C(=C/CNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)/C)C	ZINC22_252480451	346.424	CALUKHHCSGVGHA-GUNGLEHYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074118
CC(=CCC/C(=C/CNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O)/C)C	ZINC22_252480452	346.424	CALUKHHCSGVGHA-WTWVRAIASA-N	00000000100000000101000000000010000000000000000000000000	31-01-074119
CC(C)Cn1nc2CCCCC(C(=O)NCc3ccc(C)o3)n2c1=O	EMOLS-id_207869364,MCULE-3023348504	346.424	LJXPPSMTFYANLK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074120
CC(C)CNC(=O)c1ncn2c1CN(C(=O)[C@@H]1[C@H]3COC[C@@H]13)CCC2	EMOLS-id_313787196,ZINC22_1565546457	346.424	BQCXPHYXHOZKKL-NHAGDIPZSA-N	00100010100000000101010000000010000000000000000000000000	31-01-074121
CCN(CCC1=CCCCC1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426693770	346.424	OLDUZGWZJANOCU-AWEZNQCLSA-N	00000000100011000101000000000010000000000000000000000000	31-01-074122
CCN(CCC1=CCCCC1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426693772	346.424	OLDUZGWZJANOCU-CQSZACIVSA-N	00000000100011000101000000000010000000000000000000000000	31-01-074123
CCOc1cc(ccc1O)CN(C1CCn2c(CC1)nn(c2=O)C)C	EMOLS-id_96055629,MCULE-1439982981	346.424	BOFNGOQWDAGTKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074124
CCOCC(=O)N1Cc2nccn2C[C@@H](CN(C)Cc2ccco2)C1	PC-id_97389450,ZINC22_96067131	346.424	BZMZIEBHLREHST-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074125
CCOCC(=O)N1Cc2nccn2C[C@H](CN(C)Cc2ccco2)C1	ZINC22_96067130,PC-id_97389449	346.424	BZMZIEBHLREHST-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074126
CCOCC(=O)N1CC(CN(C)Cc2ccco2)Cn2ccnc2C1	EMOLS-id_46160757	346.424	BZMZIEBHLREHST-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074127
CN(C)C(=O)COCC1CN(Cc2ccc(C)o2)Cc2ccnn2C1	EMOLS-id_44326993	346.424	OLVJXTGMSASQLQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074128
CN(C)C(=O)COCC1CN(Cc2ccc(C)o2)Cc2nccn2C1	EMOLS-id_46148479	346.424	AXNQPHROXZUWCW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074129
COc1ccc(CNCc2nnc3n2CCCCC3)c(OC)c1OC	EMOLS-id_31849504,ZINC22_58264004,MCULE-4182595354,PC-id_51073151	346.424	VJDNWLLQCVFMJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074130
COc1cccc(OC)c1CN(C)C1CCc2nn(C)c(=O)n2CC1	MCULE-1113272277,EMOLS-id_97041897	346.424	ZEFFRFIGYSEJJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074131
COc1cc(CN2CCc3nnc(C(C)C)n3CC2)cc(OC)c1O	MCULE-6516620072,PC-id_42169812,CoCoCo_1172893,EMOLS-id_20430223,CoCoCo_1172892,ZINC22_11789208	346.424	OBZGQVPIKIUXFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074132
Brc1c(Cn2cc3C(NCC)CCCCc3c2)cccc1	PC-id_83210944	347.293	LMGKFWFBKZOELR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074845
COc1cc(CN2CCc3nn(C)c(=O)n3CC2)ccc1OC(C)C	MCULE-5409605770,PC-id_91910633,EMOLS-id_50585913	346.424	SFLOGQCXPTZNDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074133
COc1cc(CN(C)C2CCc3nn(C)c(=O)n3CC2)cc(OC)c1	EMOLS-id_97041823,MCULE-2645632795	346.424	OHBZBUXPNDTOFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074134
COCc1nnc2CC(C)N(Cc3cc(OC)cc(OC)c3)CCn12	EMOLS-id_313824297	346.424	KKPNYQNYGXPOLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074135
COCc1nnc2n1CCN(Cc1cc(OC)cc(OC)c1)[C@H](C)C2	ZINC22_585097487	346.424	KKPNYQNYGXPOLY-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074136
COCc1nnc2n1CCN(Cc1cc(OC)cc(OC)c1)[C@@H](C)C2	ZINC22_585097489	346.424	KKPNYQNYGXPOLY-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074137
N#CCCN(CCN1CCOCC1)C(=O)c1noc2c1CCCCC2	MCULE-4326405482,EMOLS-id_53781321,ZINC22_131735627,PC-id_99631517	346.424	HTVJNTBYEQWYKM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-074138
OC1CC(C1)C(=O)N1CCCn2cnc(C(=O)NC3CCCC3)c2C1	EMOLS-id_313786941,ZINC22_1565553871	346.424	LYGSSQRAAGVBSN-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-074139
O=C1CCCN1C[C@H]1CN(C(=O)C2CCOCC2)Cc2nccn2C1	PC-id_97462924,ZINC22_96188488	346.424	HUYSBNADDSTDAV-AWEZNQCLSA-N	00000010100010000101000000000010000000000000000000000000	31-01-074140
O=C1CCCN1C[C@@H]1CN(C(=O)C2CCOCC2)Cc2nccn2C1	PC-id_97462925,ZINC22_96188489	346.424	HUYSBNADDSTDAV-CQSZACIVSA-N	00000010100010000101000000000010000000000000000000000000	31-01-074141
OC1(CC(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)CCC1	EMOLS-id_324117048,ZINC22_2056214983	346.424	PMZITOYUDQOHFA-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-074142
O=C1NCCCN1C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111879799	346.424	NVSOYMATMIJGPR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-074143
O=C(C1CCOCC1)N1CC(CN2CCCC2=O)Cn2ccnc2C1	PC-id_118739597,EMOLS-id_44326325	346.424	HUYSBNADDSTDAV-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-074144
O=C(C1[C@H]2COC[C@@H]12)N1CCc2ncc(CN3CCOCC3)n2CC1	EMOLS-id_313778635	346.424	GTTYKLBLPGSYKK-FKEKPDDDSA-N	00100010100010000101010000000010000000000000000000000000	31-01-074145
O=C([C@@H]1[C@H]2COC[C@@H]12)N1CCc2ncc(CN3CCOCC3)n2CC1	ZINC22_585110604	346.424	GTTYKLBLPGSYKK-QLPKVWCKSA-N	00100010100010000101010000000010000000000000000000000000	31-01-074146
O=C([C@H]1[C@H]2COC[C@@H]12)N1CCc2ncc(CN3CCOCC3)n2CC1	ZINC22_585110605	346.424	GTTYKLBLPGSYKK-SCAQPMJSSA-N	00100010100010000101010000000010000000000000000000000000	31-01-074147
O=C(CN1CCN(C(=O)c2noc3c2CCCCC3)CC1)NC1CC1	EMOLS-id_49326487,PC-id_75511256,MCULE-1965229968,ZINC22_97165942	346.424	DWCFCENCEDXVGE-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-074148
O=C(N1CCOCC1C1CCCCC1=O)C1CCn2c(CC1)nnc2	EMOLS-id_316576016	346.424	SJVKPYMGVRVKMU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-074149
c1(C(=O)Nc2ccc(cc2)Nc2ccccc2)c2CCCCCc2[nH]n1	EMOLS-id_335067367,MCULE-9370792525	346.426	DNZDKLUDPFJQPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074150
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1C)c1ccccn1	EMOLS-id_320049008,MCULE-6820494084	346.426	PVVGKFLNCUNVCH-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-074151
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncc(c1)c1ccc(cc1)C	MCULE-1271385673,EMOLS-id_319982245	346.426	TWKWGGNUAJBIRA-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-074152
C/C=C/Cn1cc(c2c1cccc2)C(=O)c1[nH]c2c(n1)CCN=CCC2	PC-id_142219581	346.426	BIXOVRACVGKWOJ-BQOHWYGCSA-N	00000000100000100111000001100010000000000000000000000000	31-01-074153
O=C1NC(CNc2c1nn(c2)CCc1ccccc1)Cc1ccccc1	PC-id_68654113,SCHEMBL3467532	346.426	DCKUSDHFEPZREM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074154
O=C1N[C@@H](CNc2c1nn(c2)CCc1ccccc1)Cc1ccccc1	SCHEMBL3467531,PC-id_68654112	346.426	DCKUSDHFEPZREM-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074155
O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccccc1	PC-id_122138898,ZINC22_185824394,MCULE-9240057528,EMOLS-id_171561202	346.426	HTPQZCGMAFVFGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074156
O=C(NCc1ccc(c2ccccc2)cc1)[C@H]1CNCc2nccn2C1	ZINC22_2325855867	346.426	RXRASQFAVCXSMI-IBGZPJMESA-N	00000000100000110101100000000010000000000000000000000000	31-01-074157
O=C(NCc1ccc(c2ccccc2)cc1)[C@@H]1CNCc2nccn2C1	ZINC22_2325855868	346.426	RXRASQFAVCXSMI-LJQANCHMSA-N	00000000100000110101100000000010000000000000000000000000	31-01-074158
O=C(NCc1nnc2n1CCCCC2)c1ccc(c2ccccc2)cc1	PC-id_17441188,ZINC22_8709193,MCULE-8608636045,EMOLS-id_13446633,CoCoCo_3865658	346.426	CKCUHSAMOXZRKO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-074159
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cnn(CC)c1	PC-id_72862110,EMOLS-id_46042733,ZINC22_91468449,MCULE-7941908199	346.427	XHFCKRIYNWUVJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074160
c12nnnn1CCCCC2C(=O)N1CCCN(CC1)C(=O)C1CCC1	PC-id_74236361,EMOLS-id_49651692,MCULE-4385116725	346.427	NXHZLAFDUMBLGM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-074161
C1CCc2c(CC1)sc(c2C#N)/N=C/c1c([nH]c(=S)[nH]c1=O)O	PC-id_135473982	346.427	GYMZSIMVXLZNMM-REZTVBANSA-N	00000000100000100101000000000010000000000000000000000000	31-01-074162
c1(C(CC(C)C)NC(=O)Cc2cc(no2)C)nnc2CCNCCn12	EMOLS-id_36456483,PC-id_56718040,MCULE-1735385175	346.427	GBBIDOCWQNOIKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074163
c1(C(C(C)C)NC(=O)c2ncoc2C(C)C)nnc2CCNCCn12	MCULE-4944732013,EMOLS-id_36443454,PC-id_56711712	346.427	QMTLTHKZYKPLCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074164
c1(CN2CCCn3nc(CNC(=O)COC)cc3C2)cn(nc1C)C	PC-id_70726846,EMOLS-id_44431227,ZINC22_82099794,MCULE-3603358967	346.427	RUXVVXGVGAULME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074165
c1(CN2CCCn3nc(CNC(=O)COC)cc3C2)cnn(C)c1C	EMOLS-id_46027597,MCULE-3403715702,ZINC22_91656192,PC-id_72841141	346.427	NOCGGDKDIFQGLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074166
c1(C#N)c2CCCCCc2sc1N/C=C/1C(=O)NC(=S)NC1=O	CoCoCo_5977405,EMOLS-id_3743478,CoCoCo_5977406,PC-id_5619230,ZINC22_9358155,MCULE-8107860933,EMOLS-id_46492365,STOCK5S-09870	346.427	YBFJDXJWYVBGAS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-074167
c1(C(=O)NCc2nnc3CCCCCn23)cc(nn1CCOCC)C	EMOLS-id_55700463,MCULE-9514600240,ZINC22_223518003,PC-id_91793949	346.427	WHOILFXZIIEOHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074168
c1(C(=O)NC(C)c2onc(CC)n2)cc2n(CCCN(C(C)C)C2)n1	PC-id_50975884,MCULE-1045399108,EMOLS-id_32420604	346.427	JSGJDPDGFCFVML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074169
c1(C(=O)NCCN(C)C)cc2n(CCCN(C(=O)C3C=CCN3)C2)n1	PC-id_50964090,EMOLS-id_32398390,MCULE-8513475128	346.427	HTEZBNVGXGQRML-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-074170
c1(NC(=O)CCc2cc3n(CCCNC3)n2)c(C)nn(CCO)c1C	ZINC22_72425975,EMOLS-id_43111449,MCULE-4344198725,PC-id_70736037	346.427	JOJOHRLLOPPGMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074171
c1(NC(=O)CN2CCCn3nc(CO)cc3C2)c(C)nn(CC)c1C	EMOLS-id_55621010,PC-id_91766486,MCULE-1600606028	346.427	BLIFWLRBCDDUMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074172
Cc1cc(CC(=O)N[C@@H](CC(C)C)c2nnc3n2CCNCC3)on1	PC-id_95219532,ZINC22_67868442	346.427	GBBIDOCWQNOIKZ-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074173
Cc1cc(CC(=O)N[C@H](CC(C)C)c2nnc3n2CCNCC3)on1	PC-id_95219533,ZINC22_67868443	346.427	GBBIDOCWQNOIKZ-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074174
CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1	ZINC22_936214954	346.427	DTHBJBQESSMVAZ-JHJVBQTASA-N	00100010100000000101000000000010000000000000000000000000	31-01-074175
CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1	ZINC22_936214955	346.427	DTHBJBQESSMVAZ-YNEHKIRRSA-N	00100010100000000101000000000010000000000000000000000000	31-01-074176
CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)C1	ZINC22_937846038	346.427	DTHBJBQESSMVAZ-FRRDWIJNSA-N	00100010100000000101000000000010000000000000000000000000	31-01-074177
CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCc3nnnn3CC2)C1	ZINC22_937846040	346.427	DTHBJBQESSMVAZ-RWMBFGLXSA-N	00100010100000000101000000000010000000000000000000000000	31-01-074178
Cc1cc(CN2Cc3ccnn3C[C@@H](CCNC(=O)N(C)C)C2)no1	ZINC22_306130985	346.427	JUBFTGAAVUNZHZ-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074179
Cc1cc(CN2Cc3ccnn3C[C@H](CCNC(=O)N(C)C)C2)no1	ZINC22_306130986	346.427	JUBFTGAAVUNZHZ-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074180
Cc1cc(CN2Cc3ccnn3C[C@@H](OCC(=O)N(C)C)C2)n(C)n1	ZINC22_306128602	346.427	HFZJVHSPYFQDHH-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074181
Cc1cc(CN2Cc3ccnn3C[C@H](OCC(=O)N(C)C)C2)n(C)n1	ZINC22_306128603	346.427	HFZJVHSPYFQDHH-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074182
Cc1cc(C(=O)N2CCCn3cnc(COCCN(C)C)c3C2)[nH]n1	ZINC22_96085057,PC-id_97405875,EMOLS-id_46183135	346.427	KWYXDTBZZXWYJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074183
Cc1ccnn1CC(=O)N1CCCn2nc([C@@H](O)CN(C)C)cc2C1	PC-id_100237291,ZINC22_223362352	346.427	ARTVESNWQUAWGY-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074184
Cc1ccnn1CC(=O)N1CCCn2nc([C@H](O)CN(C)C)cc2C1	ZINC22_223362404,PC-id_100237302	346.427	ARTVESNWQUAWGY-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074185
Cc1nc2c(s1)N(CCCC2)C(=O)c1cnc2n(c1=O)ccs2	EMOLS-id_320331078,MCULE-5275223411	346.427	UDVGPQWWQBTOLE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074186
CCc1noc([C@@H](C)NC(=O)c2cc3n(n2)CCCN(C(C)C)C3)n1	PC-id_95137374,ZINC22_65464729	346.427	JSGJDPDGFCFVML-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074187
CCc1noc([C@H](C)NC(=O)c2cc3n(n2)CCCN(C(C)C)C3)n1	ZINC22_65464734,PC-id_95137376	346.427	JSGJDPDGFCFVML-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074188
CC(c1onc(n1)C1COCCN1Cc1nnc2n1CCCCC2)C	EMOLS-id_99092204	346.427	IWJMGXCBCVKBKS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-074189
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1c(CC)noc1C	EMOLS-id_98038101	346.427	JTKYWCUNNZEVPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074190
CC(C)c1noc(CCC(=O)N[C@@H](C)c2nnc3n2CCCCC3)n1	PC-id_93832154,ZINC22_42040543	346.427	ATQULQYRHOCXOJ-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074191
CCCc1noc(CCC(=O)N[C@@H](C)c2nnc3n2CCCCC3)n1	PC-id_95152019,ZINC22_65554467	346.427	DMKBGYZSOYINHJ-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074192
CC(C)c1noc(CCC(=O)N[C@H](C)c2nnc3n2CCCCC3)n1	ZINC22_42040546,PC-id_93832155	346.427	ATQULQYRHOCXOJ-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074193
CCCc1noc(CCC(=O)N[C@H](C)c2nnc3n2CCCCC3)n1	ZINC22_65554469,PC-id_95152020	346.427	DMKBGYZSOYINHJ-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074194
CCCc1noc(n1)CCC(=O)NC(c1nnc2n1CCCCC2)C	PC-id_53514619,EMOLS-id_35699468,MCULE-6169473592	346.427	DMKBGYZSOYINHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074195
CC(C)c1ocnc1C(=O)N[C@H](c1nnc2n1CCNCC2)C(C)C	PC-id_95220326,ZINC22_67872797	346.427	QMTLTHKZYKPLCF-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074196
CC(C)c1ocnc1C(=O)N[C@@H](c1nnc2n1CCNCC2)C(C)C	ZINC22_67872796,PC-id_95220325	346.427	QMTLTHKZYKPLCF-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074197
CC(C)(C)c1cnc(CN/C(=N/Cc2nnc3n2CCCCC3)/O)o1	MCULE-7891796211,EMOLS-id_99072122,ZINC22_329538894	346.427	MOIYNWRIEYPGDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074198
CC(C)(C)c1noc(CCC(=O)NCc2nnc3n2CCCCC3)n1	PC-id_45817238,EMOLS-id_31924366,ZINC22_40516136,CoCoCo_4870435,MCULE-1145317536	346.427	GWWPDQZAUZBDGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074199
CC(C)Cn1nc2CCCCC(C(=O)NCCn3cccn3)n2c1=O	EMOLS-id_207869406,MCULE-2458853516	346.427	CHOCAKBJWJVVAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074200
CC(Cn1nc2n(c1=O)C(CCCC2)C(=O)NCc1c[nH]nc1C)C	MCULE-5920936998,EMOLS-id_207869385	346.427	JQJOQPCHPYHFDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074201
CC(Cn1nc2n(c1=O)C(CCCC2)C(=O)NCCn1cncc1)C	EMOLS-id_207869403,PC-id_146048528,MCULE-7999494070	346.427	MXMAMWOPWUXXIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074202
CC(C)NC(=O)CN(C)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135625730	346.427	POFFDFASPHDHDS-YPKPFQOOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074203
CCN(C(=O)C1CCCCc2n1c(=O)n(n2)C)Cc1cnn(c1)CC	MCULE-7204294748,EMOLS-id_207869463,PC-id_146048530	346.427	IWLAKFKVIPSNBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074204
CN(C)Cc1nc(C(C)(C)NC(=O)c2n[nH]c3c2CCCCC3)no1	EMOLS-id_76033914,ZINC22_190259759,MCULE-4486522661,PC-id_121569630	346.427	ZMPIWWFFCJGPSK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074205
CN(C)CCNC(=O)c1cc2n(n1)CCCN(C(=O)[C@H]1C=CCN1)C2	PC-id_95127944,ZINC22_65405317	346.427	HTEZBNVGXGQRML-CQSZACIVSA-N	00000011100000000101000000000010000000000000000000000000	31-01-074206
CN(C)CCNC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]1C=CCN1)C2	ZINC22_65405316,PC-id_95127943	346.427	HTEZBNVGXGQRML-AWEZNQCLSA-N	00000011100000000101000000000010000000000000000000000000	31-01-074207
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)Cn1nccc1C	EMOLS-id_55695757,PC-id_91792348,MCULE-2986699831	346.427	ARTVESNWQUAWGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074208
CN(C)CCOCc1nnn2c1CN(C(=O)c1cccn1C)CCC2	ZINC22_96084344,PC-id_97405171,EMOLS-id_46181697	346.427	DTBTUHQBACBVSP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-074209
CN(C)[C@H](CNC(=O)NCc1nnc2n1CCCCC2)c1ccco1	PC-id_97060531,ZINC22_89312279	346.427	DFNMUVFXFVLPAW-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074210
CN(C)[C@@H](CNC(=O)NCc1nnc2n1CCCCC2)c1ccco1	ZINC22_89312277,PC-id_97060530	346.427	DFNMUVFXFVLPAW-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074211
CN(C)C(=O)COC1CN(Cc2cc(C)nn2C)Cc2ccnn2C1	EMOLS-id_50019952	346.427	HFZJVHSPYFQDHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074212
CN(C)C(=O)COCC1CN(Cc2cnn(C)c2)Cc2ccnn2C1	EMOLS-id_44326989	346.427	RKZYKMVGHXQDMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074213
CN(C)C(=O)COC[C@@H]1CN(Cc2cnn(C)c2)Cc2ccnn2C1	PC-id_97463479,ZINC22_96189062	346.427	RKZYKMVGHXQDMS-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074214
CN(C)C(=O)COC[C@H]1CN(Cc2cnn(C)c2)Cc2ccnn2C1	PC-id_97463480,ZINC22_96189063	346.427	RKZYKMVGHXQDMS-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074215
CN(C)C(=O)NCCC1CN(Cc2cc(C)on2)Cc2ccnn2C1	EMOLS-id_50373431	346.427	JUBFTGAAVUNZHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074216
CN=C(NCc1nnc2n1CCCCC2)NCC(c1ccc(o1)C)O	PC-id_119141548	346.427	BASFPISERQBGLF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074217
CN(C(=O)Nc1c(C)noc1C(C)C)Cc1nnc2n1CCCCC2	EMOLS-id_318870968	346.427	MMFXHBZSORIMBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074218
CN(C(=O)Nc1noc(c1)C(C)(C)C)Cc1nnc2n1CCCCC2	EMOLS-id_318967734	346.427	NONOEIMTVFLEML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074219
COCCn1ncc(c1)C(=O)NC(c1nnc2n1CCCCC2)CC	EMOLS-id_319073248	346.427	HCVPZGFMDOLGSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074220
COCC(=O)NCC1CN(Cc2cc(C)nn2C)Cc2ccnn2C1	EMOLS-id_50372989	346.427	SPTNMHUBMPGNHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074221
COCC(=O)NC[C@H]1CN(Cc2cc(C)nn2C)Cc2ccnn2C1	ZINC22_306139109	346.427	SPTNMHUBMPGNHX-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074222
COCC(=O)NC[C@@H]1CN(Cc2cc(C)nn2C)Cc2ccnn2C1	ZINC22_306139110	346.427	SPTNMHUBMPGNHX-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074223
n12ccsc1ncc(C(=O)/N=c/1sc3c(CCCCC3)[nH]1)c2=O	STOCK7S-11736,ZINC22_61717694,EMOLS-id_35782883,MCULE-4133723330,EMOLS-id_46561291,PC-id_52897730	346.427	POWJYXOVYVTTGU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074224
o1c(C(N(C)C)CNC(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_71894095,MCULE-1868141238,EMOLS-id_45753490	346.427	DFNMUVFXFVLPAW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074225
O=C1CC[C@@H](C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)N1	ZINC22_65590777,PC-id_95155775	346.427	LKFZTQSVHGBYSA-ZDUSSCGKSA-N	00000010100010000101000000000010000000000000000000000000	31-01-074226
O=C1CC[C@H](C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)N1	ZINC22_65590779,PC-id_95155776	346.427	LKFZTQSVHGBYSA-CYBMUJFWSA-N	00000010100010000101000000000010000000000000000000000000	31-01-074227
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CCC(c1nnc2n1CCCCC2)NC(=O)NCc1ncnn1CC	EMOLS-id_100154441	346.431	NSBGIUUQCLKWQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074238
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c1(c2CCCCCc2sc1N)C(=O)Nc1c(OC)ccc(OC)c1	ZINC22_2994191,MCULE-9809963829,EMOLS-id_2177465,TIMTEC246748,CoCoCo_844746,PC-id_2291582	346.444	JRBHDSDSJUHQSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074252
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c1(NC(=O)Cc2ccc(cc2OC)OC)sc2c(CCCCC2)n1	MCULE-5663960158,EMOLS-id_334605936	346.444	ALNSWWVSUMRPTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074255
c1(NC(=O)Cc2cc(OC)ccc2OC)sc2c(CCCCC2)n1	PC-id_112807875,EMOLS-id_334605168,MCULE-1361640354	346.444	QCIPXVFWOPPCDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074256
c1(NC(=O)COc2ccccc2OCC)sc2c(CCCCC2)n1	MCULE-5704238051,EMOLS-id_334605431	346.444	YUHCJAXGECZVIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074257
CC1OC(CN(C1)C(=O)c1noc2c1CCCCC2)c1ccsc1	EMOLS-id_111424224	346.444	LZYUPQALPKIGFE-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-074258
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CCOc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1OC	PC-id_17520072,MCULE-3396142978,ZINC22_12827903,CoCoCo_4546169,EMOLS-id_16734378	346.444	IVNATHORJUSVEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074265
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COc1cc(cc(c1C)OC)C(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319626697	346.444	MJHYHVFCDRMZLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074267
COc1ccc(CC(=O)Nc2nc3CCCCCc3s2)cc1OC	ZINC22_14554175,PC-id_26157916,EMOLS-id_27383228,MCULE-3224679061,CoCoCo_4546074	346.444	ZSBSYAHWNXFRRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074268
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COCCn1cc(NC(=O)c2cc3c(s2)CCCCC3)ccc1=O	EMOLS-id_44494306,ZINC22_31563859,MCULE-8845966346,PC-id_38781497	346.444	OOFTUKDVNJUTHE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-074271
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s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@@](C1CC1)(C)C#N	PC-id_7352067	346.444	PIDOZZIDJXLOKW-SFHVURJKSA-N	00100000100000000100000000000010000000000000000000000000	31-01-074287
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(C1CC1)(C)C#N	PC-id_78474834	346.444	PIDOZZIDJXLOKW-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-074288
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s1c2CCCCCc2c(c1NC(=O)/C=C/c1sccc1)C(=O)[O-]	PC-id_5557964	346.444	RSEDHKBDOFWBFB-CMDGGOBGSA-M	00000000100100000100000000000010000000000000000000000000	31-01-074290
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)/C=C/CC)C)C#N	PC-id_9063312	346.444	GRVLWYLEOBTNLK-YCGNWBHESA-N	00000000100000000100000000000010000000000000000000000000	31-01-074291
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)/C=C/CC)C)C#N	PC-id_9063314	346.444	GRVLWYLEOBTNLK-LHJMJDNXSA-N	00000000100000000100000000000010000000000000000000000000	31-01-074292
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=CCC)C)C#N	PC-id_84919630	346.444	GRVLWYLEOBTNLK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-074293
s1c2CCCCCc2nc1NC(=O)COc1c(OC)cc(cc1)C	PC-id_43041014	346.444	BRZKDXRZQXYYGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074294
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c12CN(CCCn1nc(CNC(=O)c1ccc(CC)s1)c2)C(=O)C	MCULE-8813027213,EMOLS-id_44451989,ZINC22_82166533,PC-id_70786248	346.447	ZTQAKVYQYSBWNK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-074301
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c1(C(=O)/N=c/2[nH]nc(C3CCCCC3)s2)c2CCCCCc2on1	EMOLS-id_35790417,MCULE-2430519809,STOCK7S-16335,EMOLS-id_46559287,ZINC22_61721641,PC-id_52902478	346.447	VTKNGJSVPGPIDH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-074305
c1(NC(=O)c2cc(n(CC)n2)C)sc2c(CCCCC2)c1C(=O)N	PC-id_25855625,CoCoCo_5264154,ZINC22_13703236,EMOLS-id_16977934,MCULE-9237423284	346.447	DGBVWHVRVUIQGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074306
c1(NC(=O)c2cn(nc2C)C)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_5831672,MCULE-6395689880,GD-id_ZINC02763028,EMOLS-id_4025225,PC-id_19579745,ZINC22_2763028	346.447	LJYIBHCQJRELSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074307
Cc1cc(C)n(CC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)n1	EMOLS-id_36992794,PC-id_56809418,ZINC22_57650426,MCULE-7108056953	346.447	LFKHOLHHOFDKGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074308
Cc1cc(NC(=O)C(=O)NCc2cc3c(s2)CCCCC3)n(C)n1	MCULE-3559418890,PC-id_75372602,EMOLS-id_48237982,ZINC22_77743421	346.447	LBJRTJFBBLAQAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074309
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Cc1ccsc1C(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_50586123,MCULE-7377126351,PC-id_91922674	346.447	QETMHPKJFSRSBU-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-074311
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Cc1nc(C(=O)N2Cc3cncn3C[C@@H](COCC3CC3)C2)cs1	PC-id_97475252,ZINC22_96207108	346.447	XJJUYZBOUQOTHX-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-074317
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c1(C#N)c2CCCCCc2sc1N=Cc1c[nH]nc1c1ccccc1	MCULE-5202188810	346.449	ZTMXSRBWXIQJRO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-074420
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCC(CC1)N1CCOCC1	EMOLS-id_319051137	346.467	PKLLJZDBAZLODQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-074486
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C1CCCN1C(=O)CC(C)(C)C	EMOLS-id_319082124	346.467	JBGCSFIPKYCFOU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-074487
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CCCc1ccc(CN2CCCn3nc(cc3C2)C(O)CN(C)C)o1	EMOLS-id_55690565,MCULE-3581783078,PC-id_91790594	346.467	MZTPDKUZFFYFQZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074489
CCCc1ccc(CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)o1	ZINC22_223188616,PC-id_100207297	346.467	MZTPDKUZFFYFQZ-IBGZPJMESA-N	00000000101000000101000000000010000000000000000000000000	31-01-074490
CCCc1ccc(CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)o1	ZINC22_230548456	346.467	MZTPDKUZFFYFQZ-LJQANCHMSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074491
CCC(c1nnc2n1CCCCC2)NC(=O)[C@@H]1C[C@H]1C1CCOCC1	EMOLS-id_319513930	346.467	OLGJNLDKJGCFPO-QMRHZFGWSA-N	00100000100010000101100000000010000000000000000000000000	31-01-074492
CC(CC(C(=O)N1CCCc2c(C1)cnn2C)N1CCCCC1=O)C	EMOLS-id_101673107	346.467	FCKXDUYGDUHECB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-074493
CCC[C@@H](C)C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2	ZINC22_77428160,PC-id_96395002	346.467	BMJSJLYMWXLYCU-CQSZACIVSA-N	00001000100000000101000000000010000000000000000000000000	31-01-074494
CCC[C@H](C)C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2	ZINC22_77428163,PC-id_96395003	346.467	BMJSJLYMWXLYCU-AWEZNQCLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-074495
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CC(CC(=O)N1CCCc2c(C1)cnn2C)NC(=O)C1CCCCC1	EMOLS-id_101671385	346.467	RVRKXAPAVYUJCH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-074497
CCC(C(=O)N1CCCC(C1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101671355	346.467	JALSLPTZJRAIEE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-074498
CC(C)N(C)CC(=O)N1CCc2ccc(C(=O)N3CCCC3)n2CC1	EMOLS-id_313772494,ZINC22_1565546724	346.467	JCITWOTVULDZCT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-074499
CC(C)N(C)CC(=O)N1CCc2ccc(C(=O)NCC3CC3)n2CC1	EMOLS-id_313774031,ZINC22_1565546466	346.467	CERUCPNMIVANFC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-074500
CC(C)NC(=O)c1ncn2c1CN(C(=O)[C@H]1CC[C@H](C)CC1)CCC2	EMOLS-id_313788477,ZINC22_1565554269	346.467	WPXZEBBKYUMHBP-SHTZXODSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-074501
CCC(=O)C(C(C)(C)C)NC(=O)c1c2CN(CCCn2c(n1)C=C)C	PC-id_89222497	346.467	VETPHQUZTUBLCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074502
CCC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=C	SCHEMBL14002134	346.467	VETPHQUZTUBLCX-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074503
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s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1sccc1	PC-id_9301234	346.467	GUCSQEPEMXCRML-CMDGGOBGSA-N	00000000100100000100000000000010000000000000000000000000	31-01-074535
c1ccc(C(NCCc2nnc3n2CCCCC3)c2ccccc2)cc1	PC-id_75384308,MCULE-3833957577,ZINC22_95427082,EMOLS-id_48272661	346.469	QCDDBBFTBARYEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074536
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CCCC1C=CC=c2c(=C1)cnn2Cc1ccc(cc1)C(=N)NC1CC1	SCHEMBL18978110	346.469	CCDCIUPPSDJPRI-UHFFFAOYSA-N	00100000100000110111000000000010000000000000000000000000	31-01-074539
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c1(NC(=O)CSc2nccn2C)sc2c(CCCCC2)c1C#N	MCULE-9269425099,CoCoCo_6846483,TIMTEC30458,PC-id_19727771,EMOLS-id_5034365,ZINC22_14067062	346.47	ADVSSJHVDIACKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074543
CC1CC1CNC(=O)N1CCN(CC1)Cc1nnc2n1CCCCC2	MCULE-3269573565,EMOLS-id_35721654,PC-id_53499402	346.47	OCYOMIBPZNVCQD-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-074544
CC1CN(CCN(C1)C1CC1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_101538003	346.47	KRPVKFCMSWWLCN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-074545
Cc1nn(C)c2sc(C(=O)Nc3nc4c(s3)CCCCC4)cc12	ZINC22_12830083,GD-id_ZINC12830083,PC-id_17489155,EMOLS-id_15278418,CoCoCo_4546267,MCULE-2575416237	346.47	HKLLCZJOJIFORC-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-074546
Cc1sc2c(n1)CCCCN2C(=O)c1sc2c(c1)c(nn2C)C	MCULE-2243845511,EMOLS-id_319902125	346.47	YUWRBLXJVBWETJ-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-074547
Cc1sc2c(n1)CCCCN2C(=O)Cc1nc2n(c1)cc(s2)C	EMOLS-id_319714508	346.47	ZMQHRXGAYXLOFH-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-074548
CCC(c1nnc2n1CCCCC2)NCc1onc(n1)CCC(C)C	MCULE-4923332668,EMOLS-id_316927961	346.47	NLYYZOZIXNEBEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074549
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CCN(C1)C1CC1	EMOLS-id_100563988	346.47	LLBQWIYFLBIXSW-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-074550
CC[C@H](NCc1nc(CCC(C)C)no1)c1nnc2n1CCCCC2	ZINC22_661936729	346.47	NLYYZOZIXNEBEY-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074551
CC[C@@H](NCc1nc(CCC(C)C)no1)c1nnc2n1CCCCC2	ZINC22_661936730	346.47	NLYYZOZIXNEBEY-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074552
C[C@H]1C[C@@H]1CNC(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_94125150,ZINC22_47096798	346.47	OCYOMIBPZNVCQD-LSDHHAIUSA-N	00100000100010000101000000000010000000000000000000000000	31-01-074553
C[C@@H]1C[C@H]1CNC(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_94125151,ZINC22_47096799	346.47	OCYOMIBPZNVCQD-CABCVRRESA-N	00100000100010000101000000000010000000000000000000000000	31-01-074554
C[C@@H]1C[C@@H]1CNC(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_47096797,PC-id_94125149	346.47	OCYOMIBPZNVCQD-HUUCEWRRSA-N	00100000100010000101000000000010000000000000000000000000	31-01-074555
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CCN(CC)CCC[C@@H](C)NC(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_426648234	346.47	ZZYCCVSPBKRSMW-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074558
CCNC(=NCCc1nnc2n1CCCCC2)NC1CC2OC1CC2	PC-id_109759261	346.47	GIQJIKFZCZBKJT-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-074559
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CN=C(NCc1nnc2n1CCCCC2)NCCCCC1CCCC1	PC-id_111608628	346.513	MWHASVPREMHWQS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-074746
CN=C(NCCc1nnc2n1CCCCC2)NCCCC1CCCC1	PC-id_111946671	346.513	SBYDXTYLKRQYKB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-074747
c1(NC(=O)CCCCCCCCC)sc2c(CCCCC2)c1C#N	TIMTEC90291,CoCoCo_5954305,ZINC22_97960063,EMOLS-id_5349016,PC-id_3626641,MCULE-3973095346	346.53	BYIMBQZDQROFTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-074748
O=C(c1sc2c(c1)CCCCCC2)N1CCC(CC1)NCC1CC1	PC-id_119622688,EMOLS-id_301774479,MCULE-3206457044	346.53	ZOAJOYLUIJCLJY-UHFFFAOYSA-N	00100000100010000100000000000010000000000000000000000000	31-01-074749
s1c2c(CCCCC2)cc1C(=O)NC1CCN(CC1)CC=C(C)C	PC-id_56568813	346.53	FSQUNPPQIAQYAV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-074750
s1c2CCCCCCc2c(c1NC(=O)CCCCCCCC)C#N	PC-id_4997714	346.53	ZUHJTONOVRUPBU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-074751
s1c(C(=O)N2CCC(N3CCCC3)CC2)cc2c1CCCCCC2	PC-id_52726135	346.53	ZPZYPDKFTQFWTB-UHFFFAOYSA-N	00000010100010000100100000000010000000000000000000000000	31-01-074752
C1C(COc2cscc2O1)CCCSCCCCCCS	SCHEMBL10328437,PC-id_88594099	346.571	GGVZHLFDCWSMAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074753
Clc1c(OC2CCN(Cc3occc23)C)ccc(Cl)c1Cl	SCHEMBL2841786,PC-id_68412177	346.636	HVXZRIWZPWFPAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074754
CC(c1sc(c2c1SCCSCCS2)C(C)(C)C)(C)C	SCHEMBL18943412	346.638	WWDROVGGKPQSEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074755
O=c1c(Cl)cc(C(F)(F)F)cn1Cc1nnc2n1CCCCC2	ZINC22_8877949,CoCoCo_4540879,EMOLS-id_11935242,PC-id_17399138,MCULE-8992619366	346.735	IBRGXKSISMFMBU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074756
Clc1cc(ccc1C(=O)c1cc2c(s1)c(=O)cccn2)[N+](=O)[O-]	PC-id_140984145	346.745	MRKULDBZARHYBG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-074757
CC(=O)Nc1nn2c(c1)C(=O)C(CCC2)C(=O)c1ccc(nc1)Cl	SCHEMBL13423867,PC-id_58563675	346.768	XWGNMADNVCXZLM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074758
Clc1c(cc(CCn2c3NC=NCC(=O)c3nc2)cc1)C(=O)OC	PC-id_10760035	346.768	UMTZGTFVKBKLCZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-074759
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1[nH]c2c(c1Cl)cc(cc2)F	EMOLS-id_319663983	346.787	YEDMUDYGFNAVJH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-074760
Clc1c(N)c(c2-c1ccccc2)S(=O)c1ccccc1[N+](=O)[O-]	PC-id_102129070	346.788	MMRJUFKXFWDFQY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-074761
Clc1c(N)c(c2-c1ccccc2)S(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_102129072	346.788	DRSJDQYAFHXJEO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-074762
CCOC(=O)c1cc(c2n1CCCCN2)C(=O)c1ccc(cc1)Cl	PC-id_102368530	346.808	JENUOWYFGFVZRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074763
C1CN(Cc2cc(nn2C1)C(C1CC1)O)C(=O)c1c(cncc1)Cl	PC-id_91788835	346.811	LQUXFNCJVVTTAU-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-074764
c1(C(O)C2CC2)cc2n(CCCN(C(=O)c3cncc(Cl)c3)C2)n1	EMOLS-id_50545243,MCULE-5586804511,PC-id_90652623	346.811	IRDDVLNFLANXGA-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-074765
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(ccc1Cl)NC(=O)C	EMOLS-id_318899379	346.811	LLNGRSOFSRNSOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074766
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1)Cl)NC(=O)C	EMOLS-id_319432609	346.811	AJQREWXEPGOBJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074767
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1Cl)NC(=O)C	EMOLS-id_319548527	346.811	GFACESOKFLXGBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074768
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CNC(=O)c1cccc(c1)Cl	EMOLS-id_320270927,MCULE-2846958803	346.811	MEJVNESDRZSMMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074769
CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)Cl	PC-id_20964801,CoCoCo_2544637	346.811	YGKTYGUGHHPXRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074770
CC(=O)Nc1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101674643	346.811	MNZODXWXELAVMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074771
Clc1cc2CC(Oc2cc1)C(=O)NCc1n2CCCCCc2nn1	PC-id_51266374	346.811	SBWLQRYXCDDFAX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-074772
O=C(c1cncc(Cl)c1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_221321819,PC-id_100066994	346.811	IRDDVLNFLANXGA-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-074773
O=C(c1cncc(Cl)c1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_221321865,PC-id_100066995	346.811	IRDDVLNFLANXGA-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-074774
OCCOCCn1ccc2c1CC(=NC=N2)Nc1cccc(c1)Cl	PC-id_143966110	346.811	IPIGWUGWODIWBL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-074775
O[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccncc1Cl)C1CC1	PC-id_100178487	346.811	LQUXFNCJVVTTAU-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-074776
O[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccncc1Cl)C1CC1	PC-id_100178498	346.811	LQUXFNCJVVTTAU-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-074777
Clc1ccc(cc1)C1CCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164890	346.815	FYOMVMFYAJIULZ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-074778
Clc1cccc(c1)C1CN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102106958	346.815	ARMAFJGORQTQMI-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-074779
O=C(NC1CCc2c1cccc2Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102172970	346.815	FUJNAMBCYIGSSB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-074780
CC1=Cc2cc(oc2C(=CC1)Cl)C(=O)NNSc1ccccc1	PC-id_142129851	346.831	QGFJXKNENNXAOC-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-074781
Cc1cc2c(s1)N(CCC(=C2Cl)C=O)C(=O)c1ccc(cc1)N	SCHEMBL20614800,PC-id_137384502	346.831	IAEXEUJJOLYWNA-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-074782
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1sc2c(c1)c(Cl)cnc2	EMOLS-id_319495947	346.835	JCRYLPYDOISFNI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074783
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1sc2c(c1Cl)cccn2	MCULE-4833664761,EMOLS-id_319904056	346.835	HNPCBBVCRDKSPN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074784
Clc1ccc2c(c1)nc(s2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845867	346.835	UTMIRXUJUJKJMV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074785
O=C(c1c[nH]cc1c1ccc(Cl)s1)N1CCCc2n[nH]cc2C1	ZINC22_663194863	346.835	OZOWXELMBKGWEL-UHFFFAOYSA-N	00000000110100000101100000000010000000000000000000000000	31-01-074786
CCOC(=O)c1cc2c(n1C)CCN(CC2)Cc1ccccc1Cl	SCHEMBL11176487,PC-id_20481299	346.851	TWPJFISFGYBWNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074787
CCOC(=O)c1cc2c(n1C)CCN(CC2)Cc1ccc(cc1)Cl	SCHEMBL11184452,PC-id_20481303	346.851	RQARMAQWNJSFJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074788
Clc1cccc(N2CCOCC2)c1CN1CCCc2occc2C1	ZINC22_449329338,MCULE-9313103401,EMOLS-id_316919389	346.851	NKBMVYDDTMDGKY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-074789
c12CN(CCC)CCCn1nc(CNC(=O)c1cccc(Cl)c1)c2	ZINC22_82161789,PC-id_70784802,MCULE-1367660229,EMOLS-id_44451459	346.854	UMMHUVMFUBTWEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074790
Cc1cc(C)c(NC(=O)CCc2cc3CNCCCn3n2)c(Cl)c1	PC-id_70730741,ZINC22_72422002,MCULE-1686755612,EMOLS-id_43101575	346.854	KROPKGYGBCOYSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074791
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1ccc(cc1C)Cl)C	EMOLS-id_318824792	346.854	VWJZOPRIUVQXHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074792
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1cccc(c1C)Cl)C	EMOLS-id_319397958	346.854	ZJYAOBJTTITRMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074793
CC1CN(Cc2c(C1)[nH]nc2)C(C(=O)Nc1cc(Cl)ccc1C)C	EMOLS-id_319788181	346.854	AUQIORTWPSDJLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074794
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(c1ccc(cc1)Cl)N(C)C	EMOLS-id_319752581	346.854	QSQNALFCZGHUHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074795
CC1CN(CCC(=O)NCc2ccccc2Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319234324	346.854	CNDOAMJWNKIRBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074796
CC1CN(CC(=O)NC(c2ccc(cc2)Cl)C)Cc2c(C1)[nH]nc2	EMOLS-id_319015721	346.854	CXOWRPLORMSPRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074797
CC1CN(CC(=O)NCCc2ccc(cc2)Cl)Cc2c(C1)[nH]nc2	EMOLS-id_319887853,MCULE-7808358042	346.854	HZJVAYVCCDKJOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074798
CC(C)c1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1Cl	EMOLS-id_75977647,ZINC22_189025538,PC-id_119044087,MCULE-1470124409	346.854	RCVOEWVYVRFWDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074799
C[C@@H](NC(=O)CCc1ccccc1Cl)c1nnc2n1CCCCC2	ZINC22_29900032	346.854	KSEIVJVXZFSMQY-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074800
C[C@H](NC(=O)CCc1ccccc1Cl)c1nnc2n1CCCCC2	ZINC22_29900036	346.854	KSEIVJVXZFSMQY-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074801
Clc1ccc(cc1)C(CNC(=O)C1CCn2c(CC1)nnc2)(C)C	EMOLS-id_320149048,MCULE-6213959169	346.854	RKOFNZNUGSQZOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074802
Clc1cccc(c1)C(CNC(=O)C1CCn2c(CC1)nnc2)(C)C	EMOLS-id_320165098,MCULE-3450390583	346.854	ZROHEMLTNKZBHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074803
Clc1ccc(cc1)[C@@H]1[C@H](O)CCN1Cc1nnc2n1CCCCC2	EMOLS-id_102197290	346.854	UMPJVUULCQWJDR-CRAIPNDOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-074804
Clc1cccc(c1)CN(C(=O)C1CCn2c(CC1)nnc2)C(C)C	EMOLS-id_319073587	346.854	NUPHYMZRAGYIIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074805
Clc1ccc([C@@H]2CN(Cc3nnc4n3CCCCC4)CCO2)cc1	MCULE-4283154605,EMOLS-id_316526691,ZINC22_299605361	346.854	NDPPNBRSPIXXHS-INIZCTEOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-074806
Clc1c(CCC(=O)NC(c2n3CCCCCc3nn2)C)cccc1	EMOLS-id_45749425,PC-id_71897662,MCULE-7886271146	346.854	KSEIVJVXZFSMQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074807
CN(C(C(=O)N1CCCc2c(C1)cnn2C)c1ccc(cc1)Cl)C	EMOLS-id_318351093	346.854	BPZCKMGGNRNOGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074808
CN(C(C(=O)N1CCCc2c(C1)cnn2C)c1cccc(c1)Cl)C	EMOLS-id_318354767	346.854	AICRDWBMOPVMIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074809
O=C(C1CCn2c(CC1)nnc2)NCC(c1ccccc1Cl)(C)C	MCULE-4927451438,EMOLS-id_320089160	346.854	RDNXONAFKGIKFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074810
O=C(C(N1CCCc2c(C1)cnn2C)C)NCc1ccccc1Cl	EMOLS-id_318041098	346.854	SICJOOZTTFGKTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074811
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1)Cl	PC-id_111131888	346.858	GPFGUESKQFDTNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074812
CN=C(NCc1nnc2n1CCCCC2)NCc1ccccc1Cl	PC-id_111175131	346.858	BVJOSHHQQPHDQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074813
ClCCCCS(=O)(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_116815048	346.896	NMRISKATHGTJOM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-074814
ClCC(CS(=O)(=O)Nc1sc2c(CCCCC2)c1C#N)C	PC-id_79555249	346.896	SGSZWEZYZKBIIJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-074815
CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=C(C2)C(=O)OC)OC=C3	PC-id_164667767	347.083	QHFUTTSZLCAWKR-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-074816
CC1=CC(=CC(=C1)Cl)COC(=O)N2CCCN3C(=CC(=N3)C=O)C2	PC-id_152839917	347.104	SYNIEPUYJURVMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074817
CCCCCCN1B(C)Nc2nnnn2C(C(N(B1C)C)CC)(C)C	PC-id_144358463	347.118	LRSWVPYBRGDPGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074818
CC1=C(C=C(C=C1)COC(=O)N2CCCN3C(=CC(=N3)C(=O)O)C2)F	PC-id_148318291	347.128	LCKZSCUDRAUQJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074819
CC1=C(C=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)C(=O)O)C2)F	PC-id_161595177	347.128	WSQQMZTUDNMCCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074820
CC1=CC(=CC(=C1)F)COC(=O)N2CCCN3C(=CC(=N3)C(=O)O)C2	PC-id_160060059	347.128	SHRRYMDLJKEFSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074821
C1CC2=C(CN(C1)C(=O)NC3=NC(=CS3)C4CCOCC4)C=CO2	EMOLS-id_317294036,PC-id_154758225,MCULE-3633142511	347.13	GIMXUMBVVPFCEL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-074822
Ic1ccccc1Oc1cc2-c(n1)ccccc2	PC-id_102345698	347.15	OZICRWWHFNHVDK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-074823
CCC(=O)N(C1=C2C=CC=CC=C2C=C1)[C@@H](CC3=CC=CC=C3)C(=O)O	PC-id_154280287	347.152	FCCFNXNDJICWDC-FQEVSTJZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-074824
CC(C)(C(=O)NCC1=NN=C2N1CCCCC2)NC(=O)C(F)(F)F	PC-id_154754564,MCULE-6197968952,EMOLS-id_317286348	347.157	WBSJWFGPLIHONR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074825
Brc1ccccc1/C=N/NC1=NNC(=N)Cc2ncnn12	ZINC22_3772478,PC-id_17037419,TOSLab_7308,TOSLab_4819,EMOLS-id_207352767	347.173	XFGATFBWVDGTOJ-OMCISZLKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-074826
Brc1c(C=NNC2=NN=C(N)Cc3n2cnn3)cccc1	PC-id_3527700	347.173	UVCWNPNACYIYGL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-074827
n12ncnc1CC(=N)NN=C2NN=Cc1ccccc1Br	MCULE-4415211169,PC-id_1493519	347.173	XFGATFBWVDGTOJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-074828
C1=CC=c2c(=CC=C1)[nH]nc2C(=O)NNc1c(cc(cc1)Cl)Cl	PC-id_91218670	347.199	VPRYTBQEDWGLTG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-074829
N#Cc1ccc(nc1NCc1nnc2n1CCCCC2)Br	EMOLS-id_319179960	347.213	ZFIJZOMATDGQHL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074830
Clc1ccc(cc1Cl)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316711152	347.22	PDIUZIVSEKNKLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074831
Clc1cccc(c1Cl)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316712176	347.22	PWQOPWVRGMYDLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074832
Clc1ccc(c(c1)S(=O)(=O)N1CCCn2c(C1)cnn2)Cl	EMOLS-id_316711408	347.22	HRNXEWCXJOFVSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074833
Clc1cccc(c1S(=O)(=O)N1CCCn2c(C1)cnn2)Cl	EMOLS-id_320162529,MCULE-6341349043	347.22	MKFFOGIOHAVMGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074834
Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316709119	347.22	JJGNKFLULZYYTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074835
Brc1ccc(S(=O)(=O)c2c3-c(cc2)ccccc3)cc1	PC-id_85916718	347.226	ZITNKSXRJXNRIT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-074836
Brc1ccc(S(=O)(=O)c2cc3-c(c2)ccccc3)cc1	PC-id_85921018	347.226	PGSNNITYUMMPLA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-074837
Clc1cc2-c(c1)ccc(cc2)C#Cc1ccc2-c(cc(Cl)c2)cc1	PC-id_23567954	347.237	ZMEINNVDNQGHOL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-074838
Clc1c(C#Cc2ccc3-c(cc2)ccc3)c(c2-c1ccccc2)Cl	PC-id_101760880	347.237	LAYATCUCWUCXKK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-074839
Brc1ccc(NC2=NCC(Cc3oc(cc23)C)(C)C)cc1	PC-id_10315654	347.25	UFRCOFLJVLGKIP-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-074840
Brc1c(NC2=NCC(Cc3oc(cc23)C)(C)C)cccc1	PC-id_10089025	347.25	ADFBGBVBWPSOHZ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-074841
Clc1cc(F)c(cc1C(c1cc2c(s1)CCCCC2)Cl)F	PC-id_107477353	347.25	YECKWOOANLZECL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074842
Brc1ccc(Cn2cc3C(NCC)CCCCc3c2)cc1	PC-id_83210782	347.293	ARMLISVOPLXDEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074843
Brc1cc(Cn2cc3C(NCC)CCCCc3c2)ccc1	PC-id_83210431	347.293	PUFLPJSPEQVGLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074844
Fc1cc(c(cc1F)F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026704	347.316	APMVAMAFSMLTHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074846
Fc1cc(cc(c1F)F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026734	347.316	WXKKXRYUUVYMQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074847
Fc1cc(F)c(c(c1)F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026677	347.316	OIAXBCCLLJMDKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074848
Fc1c(F)ccc(c1F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026548	347.316	VELMWVZRXQIDKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074849
OC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL19690680	347.316	CSKXAPOJAKQIPD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-074850
O=S(=O)(c1cncc(c1)C(F)(F)F)N1CCCn2c(C1)cnn2	EMOLS-id_319938646,MCULE-1075102794	347.316	AVZSXUYFFFBCKO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074851
O=S(=O)(c1nccc(c1)C(F)(F)F)N1CCCn2c(C1)cnn2	EMOLS-id_319088114	347.316	HJIUPDMDDMCKGU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074852
O=S(=O)(N1CCCn2c(C1)cnn2)c1ccc(cn1)C(F)(F)F	EMOLS-id_319038789	347.316	ZWDQPUALCFYYLR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074853
[O-][N+](=O)C(Cc1c2-c(c(c1)CC[N+](=O)[O-])ccccc2)CC[N+](=O)[O-]	PC-id_13435103	347.323	SOYLGVMKCOEWHB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-074854
COc1ccc(cc1)NC(=O)N1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580289,SCHEMBL14965945	347.326	QOGUBRSOUJKOTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074855
CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1noc2c1CCCCC2	PC-id_86802853,ZINC22_170602168,EMOLS-id_49965814,MCULE-8024232608	347.333	YDSFWILYCZSLPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074856
O=C(N1CC(C1)(O)C(F)(F)F)NCCc1nnc2n1CCCCC2	EMOLS-id_318812370	347.336	GPVGFHSRSIPVAC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-074857
COC(=O)c1c2-c(ccccc2)c(c1)C=C1c2c(ccc(c2)F)NC1=O	PC-id_87504710,SCHEMBL3284152	347.339	VKXIFWDPAFEORN-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-074858
COC(=O)c1cc(c2-c1ccccc2)/C=C/1C(=O)Nc2c1cc(F)cc2	PC-id_59301624,SCHEMBL3285325	347.339	VKXIFWDPAFEORN-MFOYZWKCSA-N	00000010100000100110000000001010000000000000000000000000	31-01-074859
COC(=O)Nc1cc(NC(=O)c2noc3c2CCCCC3)ccc1F	PC-id_99635469,EMOLS-id_50353917,ZINC22_133918184,MCULE-5475329488	347.341	URBOSPUMZWEKRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074860
Fc1ccc(cc1)C(=O)NNC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_86921801	347.344	HSMPTDNXEJSOBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074861
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)OC1CC1(F)F	MCULE-9886743689,EMOLS-id_320187986	347.359	OJPCZFNHKCTTNO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-074862
FC1CC(C1)C(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_55751643	347.359	FRSCQPQNNMEYSC-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-074863
FC1(F)C(C1)CN1CCCn2nc(cc2C1=O)COc1ccccc1	PC-id_72703195	347.359	SJDUKJPTMCXLGQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-074864
FC1(F)C(C1)CN1CCCn2nc(OCc3ccccc3)cc2C1=O	SCHEMBL16270135,PC-id_72714976	347.359	OCSFAOHWNJJHCP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-074865
O=C(C1CC(F)C1)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_575404919	347.359	FRSCQPQNNMEYSC-PIMMBPRGSA-N	00001000100000101101000000000010000000000000000000000000	31-01-074866
O=C(C1CC(F)C1)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_575404943	347.359	FRSCQPQNNMEYSC-SSDMNJCBSA-N	00001000100000101101000000000010000000000000000000000000	31-01-074867
CCCOc1c2-c(c(c1C)OC(=O)OCC)ccc(cc2)C(=O)NO	PC-id_88317104,SCHEMBL8526093	347.362	ZVBZPTVCZIXYSV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-074868
CCOC(=O)Oc1c(N)c(c2-c1ccccc2)OC(=O)OC(C)(C)C	SCHEMBL8470285,PC-id_17776060	347.362	MWMPCLPNUNCJFL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-074869
Fc1cccc(c1C1(CCC1)C(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102175367	347.362	AXXBNJAQPQZKLN-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-074870
Fc1ccc(c(c1)F)C1(CCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102180951	347.362	WHCWMKLEBUVILE-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-074871
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)F	SCHEMBL1770505,PC-id_58256665	347.364	UDYWFJMGIJHKED-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074872
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1cnc(c(OC)n1)OC	EMOLS-id_55643508,PC-id_91774387,MCULE-8129550331	347.369	CZMPDHTYLTVRSZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-074873
CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cc(OC)no1)CCC2	ZINC22_1565545325,EMOLS-id_313767361	347.369	FMPKRMPQSOISPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074874
CC(O)c1cc2CN(CCCn2n1)C(=O)Cn1cc(C)c(=O)[nH]c1=O	EMOLS-id_55638344,MCULE-5009341278,PC-id_91772567	347.369	QIDNMMBJLQKCMB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-074875
COc1cc(C(=O)N2CCCn3cnc(C(=O)NC(C)C)c3C2)on1	ZINC22_1565555172,EMOLS-id_313782214	347.369	VFJBAEZZMNEYPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074876
COc1nc(cnc1OC)C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99974229	347.369	CZMPDHTYLTVRSZ-SNVBAGLBSA-N	00000000100000100101000000000010000000000000000000000000	31-01-074877
COc1nc(cnc1OC)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99974231	347.369	CZMPDHTYLTVRSZ-JTQLQIEISA-N	00000000100000100101000000000010000000000000000000000000	31-01-074878
COC(=O)c1[nH]c(C)cc1NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_53583232,EMOLS-id_36360558,MCULE-5072528413,ZINC22_69583256	347.369	OCNSZQMNNQPZOC-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-074879
O=C(N1CCCn2c(C1)cc(n2)[C@H](O)C)Cn1cc(C)c(=O)[nH]c1=O	PC-id_99973955	347.369	QIDNMMBJLQKCMB-LLVKDONJSA-N	00000000100000100101000000000010000000000000000000000000	31-01-074880
O=C(N1CCCn2c(C1)cc(n2)[C@@H](O)C)Cn1cc(C)c(=O)[nH]c1=O	PC-id_99973956	347.369	QIDNMMBJLQKCMB-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-074881
C1CCc2nnc(n2CC1)C(=Cc1c[nH]c2c1ccc(c2)C(=O)O)C#N	EMOLS-id_316966461,PC-id_136556132,MCULE-7063171709	347.371	APZWZCVFVCTILT-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-074882
C1CCc2nnc(n2CC1)/C(=C/c1c[nH]c2c1ccc(c2)C(=O)O)/C#N	PC-id_137250988	347.371	APZWZCVFVCTILT-MDWZMJQESA-N	00000000100000100101000001100010000000000000000000000000	31-01-074883
O=C1N(NC(=O)Nc2ncn(c12)Cc1ccccc1)Cc1ccccc1	PC-id_503445	347.371	XBICKVVLGCNQOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074884
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCc1n[nH]c(N)n1	ZINC22_72408499,PC-id_70718732,EMOLS-id_43080123,MCULE-6895958867	347.372	FGBKERUESFZFQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074885
COCCNC(=O)c1cnn2c1CN(C(=O)c1ncn(C)n1)CCC2	EMOLS-id_313740021,ZINC22_1565551651	347.372	ULYCUXNHQSPZCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074886
O=C(N1CCCn2nc(cc2C1)C(=O)NCCN(C)C)c1nonc1	PC-id_56749914	347.372	AVWBOUPFWFTFDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074887
O=C(NCc1n2CCCCCc2nn1)Cn1nc(c([N+](=O)[O-])c1C)C	PC-id_51266294	347.372	OXSAFCHXENEBCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074888
N#Cc1cccc(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)c1	PC-id_97389415,ZINC22_96067092	347.374	XVXLVBGBSWPQNS-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074889
N#Cc1cccc(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)c1	ZINC22_96067093,PC-id_97389416	347.374	XVXLVBGBSWPQNS-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074890
N#CC(c1nnc2n1CCCCC2)C(=O)c1cccc(c1)n1ccnn1	EMOLS-id_76002649,PC-id_121557727,MCULE-8150187444	347.374	FZSBHDPXVXDWJU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-074891
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccnc(c1)n1ccnc1	EMOLS-id_73043588,PC-id_121532795,MCULE-9815666193	347.374	WUELUROYCZGGLG-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-074892
N#C[C@H](C(=O)c1cccc(n2ccnn2)c1)c1nnc2n1CCCCC2	ZINC22_165672237	347.374	FZSBHDPXVXDWJU-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-074893
N#C[C@@H](C(=O)c1cccc(n2ccnn2)c1)c1nnc2n1CCCCC2	ZINC22_165672370	347.374	FZSBHDPXVXDWJU-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-074894
N#C[C@H](C(=O)c1ccnc(n2ccnc2)c1)c1nnc2n1CCCCC2	ZINC22_187225710	347.374	WUELUROYCZGGLG-CQSZACIVSA-N	00000000100000101101100000000010000000000000000000000000	31-01-074895
N#C[C@@H](C(=O)c1ccnc(n2ccnc2)c1)c1nnc2n1CCCCC2	ZINC22_187225725	347.374	WUELUROYCZGGLG-AWEZNQCLSA-N	00000000100000101101100000000010000000000000000000000000	31-01-074896
O=C(N1CC(Cn2cncn2)Cn2ccnc2C1)c1cccc(c1)C#N	EMOLS-id_46160719	347.374	XVXLVBGBSWPQNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074897
CN(C)C(=O)NCc1nnn2c1CN(C(=O)c1ncn(C)n1)CCC2	ZINC22_2055715699,EMOLS-id_313731802	347.376	CRBPKAKLZMCQMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074898
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCCOCC	PC-id_19523848	347.376	FMZRQMAWEMQCST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074899
c1(C(F)(F)F)nnc(NC(=O)c2cc3c(CCCCC3)s2)s1	EMOLS-id_13330192,PC-id_17218035,ZINC22_13746652,MCULE-7192912308,CoCoCo_1068944,TIMTEC109108	347.379	CTJXYALOVPYTFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074900
Cc1nc2c(s1)N(CCCC2)C(=O)c1csc(n1)C(F)(F)F	EMOLS-id_319640915	347.379	YPNBOHFSKGIMBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074901
O=C(N1CCCn2c(C1)cc(n2)N)NC(C(F)(F)F)CC(C)(C)C	EMOLS-id_319475000	347.379	PNPRONXUKGWZCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074902
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(c(OC)c1)F	EMOLS-id_43150902,MCULE-1036749158,ZINC22_72462838,PC-id_56907107	347.384	ASEOXZDYQLHHPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074903
c12CN(CCOc3ccc(cc3)F)CCCn1nc(CCC(=O)O)c2	EMOLS-id_43138734,ZINC22_72447098,PC-id_56902980,MCULE-1064451129	347.384	HSLOCZWDCWTEQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074904
FC1(CCCCCc2nnn(c12)CCO)Cc1ccc(cc1)C(=O)O	PC-id_11717208,SCHEMBL12253346	347.384	KTGVNGSQLQLQEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074905
O=C(COC(=O)c1cc2c(s1)CCCCC2)NC(=O)c1ccco1	EMOLS-id_3712806,CoCoCo_4378796,ZINC22_8324653,PC-id_9450285,MCULE-6276636151	347.386	ARQFWJPETAKWTF-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-074906
CCCOc1cc(F)ccc1NC(=O)N1CCCn2nc(N)cc2C1	EMOLS-id_316977008,MCULE-1697211504,PC-id_136560676,ZINC22_1365489510	347.387	ACIIEUMMLQUCLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074908
CC(NC(=O)N1CCCn2c(C1)cc(n2)N)COc1cccc(c1)F	EMOLS-id_319221901	347.387	VYAXTYDBOVEOLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074909
CC(NC(=O)N1CCCn2c(C1)cc(n2)N)COc1ccccc1F	EMOLS-id_320022055,MCULE-8244927801	347.387	MVIFGOQHDBYBAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074910
CC(Oc1ccc(cc1)F)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318937415	347.387	VFUDTAVRHNGWKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074911
COc1ccc(c(c1)CN1CCc2n(CC1)c(nn2)CNC(=O)C)F	ChEMBL-DNDi_CHEMBL27443643,PC-id_29087313,CoCoCo_1268372,CoCoCo_1268371	347.387	VDMBJDBWFRZVBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074912
COc1ccc(cc1C(NC(=O)N1CCCn2c(C1)cc(n2)N)C)F	EMOLS-id_319605267	347.387	PBNMTKQCUGMECU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074913
COc1cc(ccc1F)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319186638	347.387	AMNGJPSBPHFPFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074914
COc1cc(cc(c1)F)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319806858	347.387	APULGLWMEKQEBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074915
COc1cccc(c1F)NC(=O)N(Cc1nnc2n1CCCCC2)C	MCULE-7719603280,EMOLS-id_319900262	347.387	SPPPNDCIHUUHOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074916
COc1ccc(cc1NC(=O)N(Cc1nnc2n1CCCCC2)C)F	MCULE-5375179759,EMOLS-id_319858298	347.387	YRODNCSDHHDVMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074917
COC(c1ccc(cc1)F)CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319043638	347.387	NWCVJMMOZYMZSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074918
COCc1cc(CNC(=O)N2CCCn3c(C2)cc(n3)N)ccc1F	EMOLS-id_319806824	347.387	JTRSOPIWVQTZCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074919
COCC(c1ccc(cc1)F)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319301859	347.387	FTPPRVHUPCCBNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074920
Fc1ccc(C(O)CNC(=O)NCc2n3CCCCCc3nn2)cc1	MCULE-5809741628,PC-id_45830193,EMOLS-id_31998168	347.387	YMZLWIIPRKNFIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074921
Fc1c(C(O)CNC(=O)NCc2n3CCCCCc3nn2)cccc1	MCULE-6507550953,EMOLS-id_31998170,PC-id_45830194	347.387	YISPAYFRRXTHBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074922
O=C(NCc1nnc2n1CCCCC2)NC[C@@H](O)c1ccccc1F	ZINC22_44966688,PC-id_94030111	347.387	YISPAYFRRXTHBB-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074923
O=C(NCc1nnc2n1CCCCC2)NC[C@H](O)c1ccccc1F	ZINC22_44966690,PC-id_94030112	347.387	YISPAYFRRXTHBB-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074924
O=C(NCc1nnc2n1CCCCC2)NC[C@@H](O)c1ccc(F)cc1	ZINC22_44966683,PC-id_94030109	347.387	YMZLWIIPRKNFIT-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074925
O=C(NCc1nnc2n1CCCCC2)NC[C@H](O)c1ccc(F)cc1	ZINC22_44966685,PC-id_94030110	347.387	YMZLWIIPRKNFIT-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074926
O=C(NCCOc1cccc(F)c1)NCc1nnc2n1CCCCC2	MCULE-8772527998,PC-id_45818343,EMOLS-id_31933186,ZINC22_42342051	347.387	PDOKACWVPBXKGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074927
O=C(NCCOc1ccc(F)cc1)NCc1nnc2n1CCCCC2	ZINC22_44910884,PC-id_45811310,EMOLS-id_31896700,MCULE-1177478256	347.387	JPUZLMBRLPXSFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074928
CCc1noc2c1cc(cn2)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99303059	347.389	DIZLJMNNKZEXBD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074929
COc1ccc(cc1C(=O)Nc1nc2c(s1)CCCCC2)[N+](=O)[O-]	MCULE-5658267326,EMOLS-id_18824528,CoCoCo_4546215,PC-id_25476125	347.389	JNRGTVJAMWPOAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074930
COc1cc(c(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2)OC	PC-id_90625333	347.389	TWDHFCIPNWMHEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074931
COc1c(cc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2)OC	PC-id_90625334	347.389	QLZIOBOTYBRXNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074932
COc1cc(cc(c1)C(=O)Nc1nc2c(s1)C(=O)NCCC2)OC	PC-id_90625336	347.389	SRKSYQLXSURREQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074933
COc1cccc(c1OC)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625335	347.389	RWRHDVWXYGBFRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074934
COc1ccccc1OCC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625381	347.389	IBRZBASPHUZINA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074935
COc1cc(ccc1)OCC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625382	347.389	KHXQTHSNDNZYNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074936
COc1ccc(cc1)OCC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625383	347.389	SRNCNBHTEWYWQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074937
COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1[N+](=O)[O-]	PC-id_25490662,EMOLS-id_18829782,CoCoCo_4546083,MCULE-6840790210,ZINC22_12760720	347.389	DQPKZIOGVDJCSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074938
O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc2c(s1)CCCCC2	ZINC22_32816488,PC-id_40051313,EMOLS-id_27409506,CoCoCo_4821447,MCULE-9301775606	347.389	LDMUJGACLHPICP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074939
s1c2CCCCCc2nc1NC(=O)COc1c([N+](=O)[O-])cccc1	PC-id_26157880	347.389	FBNGZBUJWWFMSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074940
c12C(=O)NCCCc1nc(NC(=O)Cn1cnc(C)c(C)c1=O)s2	ZINC22_96124393,PC-id_72720002,MCULE-1590101082,EMOLS-id_48619038	347.392	FFONJBVSTJNVFW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-074941
c1(C(=O)OC)cc2n(CCCN(C(=O)CSc3ncccn3)C2)n1	MCULE-9979154323,PC-id_50958129,EMOLS-id_32387098,ZINC22_65393700	347.392	RVAJKQUEAQAZNX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-074942
CCS(=O)(=O)N1Cc2ccnn2C[C@@H](Oc2ccc(C#N)cn2)C1	ZINC22_306136423	347.392	PSZUEDCQNSWTIP-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074943
CCS(=O)(=O)N1Cc2ccnn2C[C@H](Oc2ccc(C#N)cn2)C1	ZINC22_306136424	347.392	PSZUEDCQNSWTIP-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074944
CCS(=O)(=O)N1CC(Cn2nccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50015308	347.392	PSZUEDCQNSWTIP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-074945
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccc2c(c1)[nH]c(=O)[nH]2	EMOLS-id_101946018	347.392	LMJNODYWXIIPEH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-074946
COc1cccc2c1c(c[nH]2)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320255484,MCULE-6109536682	347.392	IGKKHMPZXMCOKD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-074947
S(c1n2CCCCCc2nn1)c1c([N+](=O)[O-])cc(cc1)C(=O)NC	PC-id_60567960	347.392	ANIGWURSVZSTBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074948
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc([N+](=O)[O-])ccc1	PC-id_7877527	347.392	QPPXPKRKHRJLRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074949
S(c1n2CCCCCc2nn1)CC(=O)Nc1c([N+](=O)[O-])cccc1	PC-id_7877612	347.392	JAQUABRMKVLMQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074950
O=C(NC1CCC1)C1CN(Cc2ncnn2C1)C(=O)c1csnn1	EMOLS-id_313721049	347.395	GFARLUUEMWSPFP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-074951
O=C(NC1CCC1)[C@@H]1CN(C(=O)c2csnn2)Cc2ncnn2C1	ZINC22_1565550816	347.395	GFARLUUEMWSPFP-SECBINFHSA-N	00001000100000000101000000000010000000000000000000000000	31-01-074952
O=C(NC1CCC1)[C@H]1CN(C(=O)c2csnn2)Cc2ncnn2C1	ZINC22_1614929643	347.395	GFARLUUEMWSPFP-VIFPVBQESA-N	00001000100000000101000000000010000000000000000000000000	31-01-074953
O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)(O)C(F)(F)F	PC-id_109884528	347.396	CNGFAWTWYKOMSC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-074954
Fc1ccc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)cc1F	ZINC22_2055708148	347.402	RRRKZDZEKAMSTB-INIZCTEOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-074955
Fc1ccc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)cc1F	ZINC22_2055708149	347.402	RRRKZDZEKAMSTB-MRXNPFEDSA-N	00100000100000110101000000000010000000000000000000000000	31-01-074956
Fc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)cc1F	EMOLS-id_313727445,ZINC22_1204223602	347.402	JESGLPUTFXXMHE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-074957
Fc1ccc(CN2CC(COCC3CC3)Cn3nccc3C2)cc1F	EMOLS-id_313722587	347.402	RRRKZDZEKAMSTB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-074958
O=C(c1cccc(c1)C(F)(F)C)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_318922373	347.402	HVBYELIIBUVWJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074959
c1(NC(=O)c2ccccc2F)sc2c(CCCCC2)c1C(=O)OC	MCULE-3782409982,PC-id_2894809,CK1336062,EMOLS-id_2394504,TIMTEC409796,ChEMBL-DNDi_CHEMBL6369175,ZINC22_227529,CoCoCo_1745783,ChEMBL-DNDi_CHEMBL3487-1254	347.404	QQWJREJKQYXAFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074960
c1(NC(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OC	ZINC22_266029,PC-id_776410,EMOLS-id_2368463,MCULE-7603527317,TIMTEC581219,SPECS-id_AK-968/11987075,CoCoCo_5952503	347.404	YUCLAHIHYACTCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074961
c1(NC(=O)c2cccc(F)c2)sc2c(CCCCC2)c1C(=O)OC	MCULE-7010778056,EMOLS-id_1131512,PC-id_903431,CoCoCo_740021,SPECS-id_AK-968/12163103,ZINC22_483601,TIMTEC414972,ChEMBL-DNDi_CHEMBL6104559	347.404	QWNHVDFNLAZCRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074962
c1(NC(=O)Cc2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)O	MCULE-7240092959,PC-id_28860414,EMOLS-id_179129642	347.404	RBYHLHLSJIRYJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074963
O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1cccc(F)c1	PC-id_7351939,EMOLS-id_30685420,MCULE-3993776728,ZINC22_4767656	347.404	AUFVWDJWYRKIDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074964
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(F)cc1	PC-id_7650052	347.404	NLJKVRDOIZEYSF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074965
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(F)cccc1	PC-id_7650091	347.404	XMKJOPOZGUIANK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-074966
CC1C=Cc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C	PC-id_139471211,SCHEMBL21337208	347.407	ZXGHJTVNNODEMQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-074967
CC(=O)Nc1ccc(c(c1)C(=O)N1CCCCc2c1sc(n2)C)F	EMOLS-id_319665034	347.407	HIUUXWATODADOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074968
Fc1ccc(cc1)C(=O)NCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318776208	347.407	YFKKCBCVYMUHNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074969
O=C(CNC(=O)c1ccccc1F)Nc1nc2c(s1)CCCCC2	ZINC22_12829025,EMOLS-id_30659201,MCULE-7667640693,PC-id_47018242	347.407	NWVAGLBVTCRXAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074970
O=C(CNC(=O)c1ccc(F)cc1)Nc1nc2c(s1)CCCCC2	CoCoCo_4564233,PC-id_17459121,EMOLS-id_13520265,ZINC22_12829553,MCULE-7631390082	347.407	ZZPFQSDBBVKOEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074971
CC[C@H]1C(=O)NCCCN1C(=O)c1coc2c1C(=O)NCC(C)(C)C2	MCULE-5878838600,ZINC22_886535530,EMOLS-id_316994743,PC-id_136587031	347.409	DQQUNYIKCVHOPW-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074972
COCCNC(=O)c1ccc2CCN(CCn12)C(=O)[C@@H]1[C@H]2COC[C@@H]12	EMOLS-id_313775553,ZINC22_1565546166	347.409	WIGKTBXXISSGSQ-FOLVSLTJSA-N	00100010100000000101010000000010000000000000000000000000	31-01-074973
O=C1C(CCN1C1CCOCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101012774	347.409	SZLSCTJUPFBOTC-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-074974
O=C(C1CCCO1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111823587	347.409	UTTDZZRHXJQLBP-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-074975
O=C(c1coc2c1C(=O)NCC(C2)(C)C)N1CC(C1)NC1COCC1	EMOLS-id_318980877	347.409	IIMMHMZPZIIIID-UHFFFAOYSA-N	00001010100000000100000000000010000000000000000000000000	31-01-074976
C1CN(CCc2c1nc(o2)C(=O)Nc1ccccc1)Cc1ccccc1	PC-id_134808966	347.41	ADSPDXVHTSQYLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074977
c1(C(=O)Nc2ccccc2Oc2ccccc2)c2CCCCCc2[nH]n1	MCULE-3334669355,EMOLS-id_335020789	347.41	IOEMESDKIOJXIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074978
c1(C(=O)Nc2ccc(cc2)Oc2ccccc2)c2CCCCCc2[nH]n1	MCULE-7318728841,EMOLS-id_323249854	347.41	ODLHWCXAXBOQAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074979
CC(c1ccc(c2-c(c1)c(C)cc2N=Nc1ccc(cc1)[N+](=O)[O-])C)C	PC-id_102362259	347.41	DGJRALSWGBADEN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-074980
COC1=CCc2c(C=C1)c(c(n2CC)NC(=O)c1cccc(c1)C)C#N	PC-id_143184538	347.41	WWSCIJLFBYHEQC-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-074981
O=C1N(CCCn2c1cc(n2)OCc1ccccc1)Cc1ccccc1	PC-id_72715070,SCHEMBL16270110	347.41	ZIQFZKSZRPZDGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074982
O=C1N(CCCn2nc(cc12)COc1ccccc1)Cc1ccccc1	PC-id_72700402	347.41	QCNWZSAUDLIZNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-074983
O=C(c1cccc(c1)Cn1c(=O)nc2-c1ccccc2)N1CCCCC1	MCULE-7874720242,EMOLS-id_320286244	347.41	ULMKZAXBUKQQLQ-UHFFFAOYSA-N	00000010100010110111000000000010000000000000000000000000	31-01-074984
O=CC1=CC=CC=Cc2c1cn(n2)Cc1cnc(c(c1)C)OCC1CC1	SCHEMBL19673328	347.41	PKFBVGVNURXSTM-UHFFFAOYSA-N	00100000100000101111000000000010000000000000000000000000	31-01-074985
C1CC(C1)CN1CCN(CC1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135099780	347.412	MFCZDABMZKRRDA-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-074986
c1(cc(nn1CCOCC)C)C(=O)N1CCCn2nc(CO)cc2C1	MCULE-9161727861,EMOLS-id_55704312,PC-id_91795245	347.412	GOAWHXNSKUWDJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074987
c1(C(=O)N2CC(C2)N2CCOCC2)cc2n(CCCN(C(=O)C)C2)n1	ZINC22_67947838,EMOLS-id_36611986,MCULE-9670359937,PC-id_56758219	347.412	JRPHRNYLSYEHSZ-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-074988
c1(C(=O)N2CCOCC2)cc2n(CCCN(C2)C(=O)N2CCCC2)n1	EMOLS-id_32421018,ZINC22_65465843,PC-id_50976106,MCULE-5632989661	347.412	XIOYVAYMMYIDJU-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-074989
c1(C(=O)NCc2cc3n(CCCN(CCC)C3)n2)noc(C)c1CO	MCULE-6403039231,PC-id_70722513,EMOLS-id_44429709,ZINC22_82098120	347.412	BICLNHZADQCRHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074990
c1(nnc2CCCCCn12)C(=O)N1CCC[C@H]1C(=O)N1CCOCC1	EMOLS-id_82727803,MCULE-3858445816,ZINC22_426552263,PC-id_118783290	347.412	GBNWJEAOFKDAJA-ZDUSSCGKSA-N	00000010100010000101000000000010000000000000000000000000	31-01-074991
Cc1c(c(no1)C)CCC(=O)NC1CCc2nnc(n2CC1)COC	EMOLS-id_50590401,PC-id_91922619,MCULE-5008655636	347.412	TZHITZOJTYHPAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074992
Cc1cc(no1)C(=O)N1CC(Cn2ccnc2C1)COCCN(C)C	PC-id_134690435	347.412	KUSFPRCLDXKOSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074993
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCN1C(=O)NC(C1=O)(C)C	EMOLS-id_319319441	347.412	ALZGCMDQRBITEO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-074994
CC(CC(c1ccco1)O)NC(=O)NCc1nnc2n1CCCCC2	PC-id_112276349	347.412	DCKCJXIYFZPQQH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074995
CCCN1CCc2n(CC1)c(nn2)CNC(=O)c1ccc(o1)COC	CoCoCo_1310097,CoCoCo_1310096	347.412	YTMGNEBMBYMTMK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-074996
CCCNC(=O)C1CCc2nn(Cc3c(C)noc3C)c(=O)n2CC1	EMOLS-id_207876710,MCULE-7855576092	347.412	WHPVXQBWQOBGKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-074997
CN(Cc1n[nH]c2c1CCCCC2)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C	PC-id_97122161,ZINC22_91519029	347.412	LOORBXGQWVCKNR-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-074998
CN(Cc1n[nH]c2c1CCCCC2)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C	ZINC22_91519028,PC-id_97122160	347.412	LOORBXGQWVCKNR-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-074999
CN(Cc1n[nH]c2CCCCCc12)C(=O)CC1N(C)C(=O)N(C)C1=O	PC-id_70728440,EMOLS-id_44712029,MCULE-8477969487	347.412	LOORBXGQWVCKNR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075000
CN(Cc1onc(n1)C(NC(=O)c1noc2c1CCCCC2)(C)C)C	EMOLS-id_100957167	347.412	UTOHBMGHYNZOMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075001
COc1cc(C(=O)N2Cc3nccn3C[C@H](CN(C)C(C)C)C2)on1	ZINC22_1565543111	347.412	WOQCWGZNXRVXSN-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075002
COc1cc(C(=O)N2Cc3nccn3C[C@@H](CN(C)C(C)C)C2)on1	ZINC22_1615065595	347.412	WOQCWGZNXRVXSN-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075003
COc1cc(on1)C(=O)N1CC(CN(C)C(C)C)Cn2ccnc2C1	EMOLS-id_313721566	347.412	WOQCWGZNXRVXSN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075004
COCC(c1ccc(o1)CC)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319779210	347.412	CNSKVZPDSIAZGZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-075005
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccco3)CCn12	EMOLS-id_20441843,MCULE-4131601916,PC-id_45180115	347.412	SUTJORXTXZXGAZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-075006
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccco1)CC2	CoCoCo_1189250,CoCoCo_1189251,ZINC22_14878620	347.412	SUTJORXTXZXGAZ-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-075007
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccco1)CC2	CoCoCo_1189252,CoCoCo_1189253,ZINC22_14878619	347.412	SUTJORXTXZXGAZ-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-075008
COCC(=O)NCC1CCn2nccc2CN1Cc1c(C)noc1C	EMOLS-id_313815848	347.412	FZCQTRAWLKVHLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075009
COCC(=O)NCCC1CN(Cc2cc(C)on2)Cc2ccnn2C1	EMOLS-id_50376393	347.412	OWFONOGOZBWBQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075010
COCC(=O)NCC[C@H]1CN(Cc2cc(C)on2)Cc2ccnn2C1	ZINC22_247924629	347.412	OWFONOGOZBWBQT-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075011
COCC(=O)NCC[C@@H]1CN(Cc2cc(C)on2)Cc2ccnn2C1	ZINC22_247924631	347.412	OWFONOGOZBWBQT-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075012
COCC(=O)NC[C@@H]1CCn2nccc2CN1Cc1c(C)noc1C	ZINC22_585096958	347.412	FZCQTRAWLKVHLY-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075013
COCC(=O)NC[C@H]1CCn2nccc2CN1Cc1c(C)noc1C	ZINC22_585096959	347.412	FZCQTRAWLKVHLY-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075014
N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCCC2	CoCoCo_3268414,ZINC22_3305527,PC-id_2421239,EMOLS-id_3048470,MCULE-6400125464	347.412	BRKVABXMTLKOCV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-075015
O=C1CCCN1C[C@H]1CN(C(=O)N2CCOCC2)Cc2nccn2C1	PC-id_97462920,ZINC22_96188484	347.412	NBWKZKINVAGDTB-AWEZNQCLSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075016
O=C1CCCN1C[C@@H]1CN(C(=O)N2CCOCC2)Cc2nccn2C1	PC-id_97462921,ZINC22_96188485	347.412	NBWKZKINVAGDTB-CQSZACIVSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075017
O=C1NC(C(=O)N1CCc1nnc2n1CCCCC2)C1CCCOC1	EMOLS-id_100740300	347.412	GHRDKLAIDMOMRD-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-075018
O=C1NC(C(=O)N1CCc1nnc2n1CCCCC2)C1CCOCC1	EMOLS-id_100736253	347.412	SYSGSURJBYNLSM-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-075019
O=C(N1CCOCC1)N1CC(CN2CCCC2=O)Cn2ccnc2C1	PC-id_118739599,EMOLS-id_44326321	347.412	NBWKZKINVAGDTB-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075020
O=C(NC1CC1)C1N(CCC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_78857608	347.412	SADJVGGYPGGFLS-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-075021
O=CNCC1=C(NC2CCOCC2)Cc2c(N=C1CO)n(nc2)CC	PC-id_143430169	347.412	GWAXZHOMHACBKJ-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-075022
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O=C(NCC(c1ccco1)(O)C)NCCc1nnc2n1CCCCC2	PC-id_111479379	347.412	MNPXYDJROKTERS-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-075024
s1c2c([n+](c1C(=O)CCC(=O)OCC2)Cc1c(nc(nc1)C)N)C	PC-id_56630728	347.412	RQMNNZYOZNDZBM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-075025
C1CCc2c(C(C1)Nc1ccccn1)c(c[nH]2)C(=O)Nc1ccccn1	PC-id_91435901	347.414	VGMWGNRQAIYYBD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-075026
C1CN(CCn2c1ncc2C(=O)Nc1cnccc1)Cc1ccccc1	PC-id_134810672	347.414	PAIGCZDCOKYODN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075027
Cc1cccc(c1)c1cccc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_316569970	347.414	UCEXRWWFGFUEAO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-075028
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)c1ccc(nn1)C	EMOLS-id_319145785	347.414	HPWDODKSIHXADF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-075029
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)Nc1ccncc1	EMOLS-id_318921039	347.414	WHGHBIUYRWBMCC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075030
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(nc1C)c1ccccc1	EMOLS-id_318924550	347.414	WPIUIDXTLKCRFS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-075031
CCn1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c2ccccc12	PC-id_94810614,ZINC22_58267328	347.414	VPDKJIJXEDHZCE-HNNXBMFYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-075032
CCn1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c2ccccc12	ZINC22_58267325,PC-id_94810613	347.414	VPDKJIJXEDHZCE-OAHLLOKOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-075033
CCn1c(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc2ccccc12	PC-id_94809621,ZINC22_58265697	347.414	FISJNLGSDMMOMT-OAHLLOKOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-075034
CCn1c(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc2ccccc12	ZINC22_58265698,PC-id_94809622	347.414	FISJNLGSDMMOMT-HNNXBMFYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-075035
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N#CC(c1nnc2n1CCCCC2)C(=O)c1cn(c2c1cccc2)CC	MCULE-2255005249,EMOLS-id_32132221,PC-id_51099359	347.414	VPDKJIJXEDHZCE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-075040
N#CC(C(=O)c1cc2c(n1CC)cccc2)c1nnc2n1CCCCC2	EMOLS-id_32132231,PC-id_51099364,MCULE-3320482130	347.414	FISJNLGSDMMOMT-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-075041
O=C1NCC(Cc2c1cn(n2)Cc1ccc(nc1)c1ccccn1)(C)C	EMOLS-id_318249008	347.414	QVDGQGVYSZDKLW-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-075042
O=C1N=C(NN=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)N=NC1=C	PC-id_84945502	347.414	NRSXNHVHGWDIKA-UHFFFAOYSA-N	00000010100011000111000000000010000000000000000000000000	31-01-075043
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)C)c1cccnc1	EMOLS-id_319830027	347.414	AOBWUNXLGNXQCC-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-075044
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)Nc1ccccc1	EMOLS-id_319252984	347.414	SGHIVWXLNHAFOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075045
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1Nc1ccccc1	EMOLS-id_320048338,MCULE-6021014123	347.414	KBJRCXUDWTZGSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075046
O=C(c1cnc2n1CCCCC2)NCc1cccc(n1)c1ccccn1	EMOLS-id_319630144	347.414	GEUPTWIZIBEYTE-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-075047
O=C(c1n[nH]c2c1CCCCC2)NCc1cccc(n1)c1ccccn1	EMOLS-id_319667666	347.414	YFFDQYFYXWKJMG-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-075048
Brc1cc(Cn2cc3CCCCC(=O)c3c2)ccc1OC	PC-id_83207258	348.234	GNELSMYPDBSTTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075759
c12nnnn1CCCCC2C(=O)N(CC)Cc1noc(CC(C)C)n1	PC-id_74245274,MCULE-2728530805,EMOLS-id_49669854	347.415	ATOGCSMJNLKLNY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075049
c1(C(CC(C)C)NC(=O)C2=NNC(=O)CC2)nnc2CCNCCn12	MCULE-6568962463,PC-id_56702284,EMOLS-id_36423704	347.415	KVNITHXKFOHNQL-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-075050
Cc1noc(CC(=O)N2CCCn3c(nnc3CN(C)C(C)C)C2)n1	EMOLS-id_313731283,ZINC22_2055716059	347.415	VNKOXMLXHNAOOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075051
CC(C)C[C@H](NC(=O)C1=NNC(=O)CC1)c1nnc2n1CCNCC2	PC-id_95190532,ZINC22_67489954	347.415	KVNITHXKFOHNQL-LBPRGKRZSA-N	00000000100011000101000000000010000000000000000000000000	31-01-075052
CC(C)C[C@@H](NC(=O)C1=NNC(=O)CC1)c1nnc2n1CCNCC2	ZINC22_67489957,PC-id_95190533	347.415	KVNITHXKFOHNQL-GFCCVEGCSA-N	00000000100011000101000000000010000000000000000000000000	31-01-075053
CCN(Cc1noc(CC(C)C)n1)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_97711595,PC-id_97935929	347.415	ATOGCSMJNLKLNY-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075054
CCN(Cc1noc(CC(C)C)n1)C(=O)[C@H]1CCCCn2nnnc12	ZINC22_97711596,PC-id_97935930	347.415	ATOGCSMJNLKLNY-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075055
CN(Cc1cn(C)nc1C)C(=O)Cn1nc2CCC(N)CCn2c1=O	EMOLS-id_50590592,MCULE-9987118291,PC-id_91910903	347.415	WEXMJJGUOLUMIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075056
O=C(N1CCCN(CC1)C(=O)C1CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_319407078	347.415	GRRXCPZNAJVTFB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-075057
O=C(N1CCN2C(C1)CNC2=O)NCCc1nnc2n1CCCCC2	EMOLS-id_99834625	347.415	YAENSWCCYCDOCH-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-075058
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)C1NC(=O)NC1	PC-id_76048568	347.415	KMUSZRASOXOTMC-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075059
O=C(N(C)C)COCc1nnn2c1CN(CCC2)Cc1nccn1C	PC-id_97517016	347.415	ZNOPATAFUFPJOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075060
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)C1CCC(CC1)C(F)F	EMOLS-id_318966564	347.424	BGKLIXIRDCMKOG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075061
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)CC1CCCCC1(F)F	EMOLS-id_319635427	347.424	MXEAPMYPRPSQBG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075062
Cn1ncc2c1CCCN(C2)S(=O)(=O)CC1CCCCC1(F)F	EMOLS-id_101951052	347.424	UCYCWRALMLIIEU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075063
FC1(F)CCC(CC1)S(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319636285	347.424	PBYWMYFRSGPWTN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075064
c12cc(C(=O)OCC)c(=S)c(C(=O)OCC)cc1c(n(C)c2C)C	MCULE-6533421085,ZINC22_218891309,EMOLS-id_50607579,PC-id_100029118	347.429	BJGHSWFYNBHQEW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-075065
c1(c2CCCCCc2sc1NC(=O)c1ccco1)C(=O)OC(C)C	ZINC22_473250,CHEMBL1494806,TIMTEC124462,MCULE-2280340892,PC-id_895943,EMOLS-id_1094706,CoCoCo_894616	347.429	DKMFEWIELGMQPE-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-075066
C1Cc2c(CN(C1)CC(COc1ccc(cc1)C(=O)O)O)ccs2	PC-id_136550471,EMOLS-id_316900280,MCULE-7553943082	347.429	XRRWWQOZNSVCGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075067
Brc1cc(Cn2cc3CCCCC(=O)c3c2)c(OC)cc1	PC-id_83207257	348.234	YNYFIBHUWGHWQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075760
c1(NC(=O)c2ccc(C)o2)sc2c(CCCCCC2)c1C(=O)OC	SPECS-id_AK-968/12971371,ZINC22_2748144,TIMTEC365638,CoCoCo_6787308,MCULE-6053618780,PC-id_5076820,EMOLS-id_4026006	347.429	OTQDSIIFKMHOJH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-075068
c1(NC(=O)c2ccco2)sc2c(CCCCC2)c1C(=O)OCCC	ZINC22_2740691,PC-id_4284361,SPECS-id_AK-968/12116485,CoCoCo_5817276,EMOLS-id_4025986,MCULE-9360721252,TIMTEC127849	347.429	DOGZPYZRYSSSEZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-075069
c1(NC(=O)c2ccco2)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-5808081254,ZINC22_476057,CoCoCo_903780,EMOLS-id_2200120,PC-id_898192,TIMTEC426753	347.429	RJVYVIMPGCGHIY-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-075070
c1(NC(=O)c2ccoc2C)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_4025992,MCULE-2668742362,ZINC22_483648,CoCoCo_5817879,TIMTEC390626,PC-id_903458,SPECS-id_AK-968/12164419	347.429	PVNDHXPJHKAYGP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-075071
c1(NC(=O)c2ccoc2C)sc2c(CCCCCC2)c1C(=O)OC	PC-id_844313,TIMTEC148479,ZINC22_375582,SPECS-id_AK-968/41925673,EMOLS-id_2202784,CoCoCo_908312,MCULE-2976486488	347.429	FLICEKDZOHMMOL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-075072
Cc1cc(S(=O)(=O)C)cc(C(=O)N2CCCc3occc3C2)c1C	EMOLS-id_177276531,MCULE-9479383677,ZINC22_289771468	347.429	PWZQTTPCRBEEPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075073
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s1c2CCCCCc2cc1C(=O)OC(C(=O)NCc1occc1)C	PC-id_18080625	347.429	PIPVJBSIMYEUSF-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-075080
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(c1occc1)C	PC-id_85001907	347.429	VBRWLFOLDBOJIH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-075081
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s1c2CCCCCCc2cc1C(=O)OCC(=O)NCc1occc1	PC-id_24341566	347.429	QRSNGOBCZJIGBV-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-075086
CN(C)CCOCc1nnc2CCN(Cc3ccc(F)cc3)CCn12	ZINC22_96058868,PC-id_97381525,EMOLS-id_46148033,CHEMBL3551776	347.43	ZOENBFHCWRPTLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075087
CN(CCOCc1nnn2c1CN(CCC2)Cc1ccc(cc1)F)C	PC-id_97381484	347.43	WDFSQGDKWYAUHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075088
c1(c2CCCCCc2sc1NC(=O)CC#N)C(=O)N1CCOCC1	ZINC22_5975901,PC-id_3263275,CoCoCo_6799868,TIMTEC158247,EMOLS-id_4026046,MCULE-8890441704	347.432	FWECHBRSTMTPDY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075089
c1(c(C)n[nH]c1C)C(C(=O)O)NC(=O)c1cc2c(CCCCC2)s1	MCULE-4620704561,PC-id_50969553,EMOLS-id_32408704	347.432	UFKJWFMGSFCAJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075090
c1(cn2c(C(=O)NCCC2)c1)S(=O)(=O)NCc1ccc(c(C)c1)C	MCULE-3154350101,EMOLS-id_33086420,PC-id_53182826	347.432	SGZZISPGADGWPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075091
c1(cn2c(C(=O)N(CCC2)CC)c1)S(=O)(=O)NCc1ccccc1	PC-id_53182916,EMOLS-id_33087248,MCULE-6692223493	347.432	SVEVBHXNZNGEEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075092
c1(csc(CC)c1)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	EMOLS-id_43122165,ZINC22_72429235,PC-id_56897932,MCULE-4182501206	347.432	NPKODVYVBOCUSG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-075093
c1(NC(=O)c2c(CC)noc2C)sc2c(CCCCC2)c1C(=O)N	TIMTEC459845,CoCoCo_1074844,PC-id_17174226,MCULE-2117052834,EMOLS-id_13331909,ZINC22_13327682	347.432	SURXHQOHXAVIIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075094
c1(NC(=O)c2ccn(C)n2)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_483741,TIMTEC260427,CoCoCo_5818791,MCULE-7036490676,SPECS-id_AK-968/12345852,EMOLS-id_4026060,PC-id_903518	347.432	KGDUTMCNVLVXBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075095
c1(NC(=O)c2ccnn2C)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_5259543,ZINC22_12444235,PC-id_25284530,MCULE-2409910704,EMOLS-id_16873076	347.432	PPBZGSZSPYKSQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075096
c1(NC(=O)c2c(C)noc2C)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_14094540,MCULE-9469895331,TIMTEC306777,ZINC22_16602929,GD-id_ZINC16602929,PC-id_17248992,CoCoCo_1070133	347.432	MFYODYGOPSJZBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075097
c1(NC(=O)c2cn(nc2C)C)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_5826258,EMOLS-id_4026044,TIMTEC26258,ZINC22_2756332,PC-id_19577841,MCULE-5761680463	347.432	ABPAWQQPTROOJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075098
c1(NC(=O)CCC(=O)NCc2ccco2)sc2c(CCCCC2)n1	MCULE-1437426367,EMOLS-id_334949852	347.432	GCJAYBSYZGMGIU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-075099
c1(NC(=O)Cn2c(C)cc(=O)c(OC)c2)sc2c(CCCCC2)n1	ZINC22_95477535,PC-id_71706598,EMOLS-id_49394453,EMOLS-id_48569642,STOCK7S-44013,MCULE-2041322959	347.432	DCTIPOVDOUVXRN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075100
c1(NC(=O)COc2c(=O)cc(n(C)c2)C)sc2c(CCCCC2)n1	MCULE-4495838804,ZINC22_72401009,STOCK7S-24698,PC-id_60179659,EMOLS-id_36792923,EMOLS-id_46566677	347.432	UOIOSMFQGJSMSW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075101
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc2c(c1)CC(O2)C	EMOLS-id_319171957	347.432	FNEAAKAJLIWCQN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-075102
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(cc1)OC1CC1	MCULE-6802434591,EMOLS-id_320267061	347.432	FFMUUHYIFLQRFA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-075103
Cc1ccc(cc1)CNS(=O)(=O)c1cn2c(c1)C(=O)N(CCC2)C	MCULE-9002195567,PC-id_53182884,EMOLS-id_33086900	347.432	CKUFBKJFUGSLLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075104
Cc1ccc(cc1C(=O)N1CCCc2c(C1)cnn2C)S(=O)(=O)C	EMOLS-id_101668190	347.432	DKALRORXIGSSHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075105
Cc1cc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCC3)no1	ZINC22_53308160,MCULE-5935464032,EMOLS-id_44002395,PC-id_51267377	347.432	RNFGGNAHSHEQKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075106
Cc1cc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)n(C)n1	ZINC22_48254075,EMOLS-id_30658773,MCULE-7817766894,PC-id_47015678	347.432	FQKPALPQZPHUKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075107
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)CS(=O)(=O)C	EMOLS-id_319183029	347.432	WKIDAPOPSHNYHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075108
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(ccc1C)S(=O)(=O)C	EMOLS-id_319919746,MCULE-6757433727	347.432	HIPQYRQQNYGUEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075109
Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)O	PC-id_95206008,ZINC22_67726670	347.432	UFKJWFMGSFCAJD-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075110
Cc1n[nH]c(C)c1[C@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)O	ZINC22_67726668,PC-id_95206007	347.432	UFKJWFMGSFCAJD-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075111
Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc3c(s2)CCCCC3)n1	EMOLS-id_110988395,ZINC22_275447562,MCULE-2330318534	347.432	SRNIHXUVYFLRGG-CHWSQXEVSA-N	00000010100000000101100000000010000000000000000000000000	31-01-075112
CC1Oc2c(C1)cc(cc2)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948481	347.432	GCVZQIAHSGCPJQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-075113
CCc1cccc(NS(=O)(=O)c2cc3C(=O)N(C)CCCn3c2)c1	EMOLS-id_33086700,PC-id_53182856,MCULE-2707238347	347.432	TXADUIRFKZEHEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075114
CCc1ccc(NS(=O)(=O)c2cc3C(=O)N(C)CCCn3c2)cc1	EMOLS-id_33086958,MCULE-1300186755,PC-id_53182889	347.432	HVNJQZHOHRSNLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075115
CC(C)c1cccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c1	PC-id_53182812,EMOLS-id_33086356,MCULE-7136123785	347.432	PBLZRGTWOSTPKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075116
C=CCOCC1CN(Cc2ccnn2C1)S(=O)(=O)c1ccccc1	EMOLS-id_44326959	347.432	WVIRGPXCPHTIQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075117
C=CCOCC1CN(Cc2nccn2C1)S(=O)(=O)c1ccccc1	EMOLS-id_44325883	347.432	PSLKEKPOVPCWHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075118
C=CCOC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2ccnn2C1	PC-id_97463449,ZINC22_96189030	347.432	WVIRGPXCPHTIQV-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075119
C=CCOC[C@@H]1CN(S(=O)(=O)c2ccccc2)Cc2ccnn2C1	PC-id_97463450,ZINC22_96189031	347.432	WVIRGPXCPHTIQV-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075120
C=CCOC[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1	ZINC22_96187850,PC-id_97462301	347.432	PSLKEKPOVPCWHU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075121
C=CCOC[C@@H]1CN(S(=O)(=O)c2ccccc2)Cc2nccn2C1	ZINC22_96187851,PC-id_97462302	347.432	PSLKEKPOVPCWHU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075122
C[C@H](c1nn2c(c1)CN(CCC2)S(=O)(=O)/C=C/c1ccccc1)O	PC-id_99973423	347.432	YHEIGBPDFDJBEJ-BMGYJQCNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075123
C[C@@H](c1nn2c(c1)CN(CCC2)S(=O)(=O)/C=C/c1ccccc1)O	PC-id_99973424	347.432	YHEIGBPDFDJBEJ-ZHZWZMEUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075124
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccccc1C	EMOLS-id_33087220,PC-id_53182911,MCULE-4261195120	347.432	BYTUBYSXUXNRTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075125
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cccc(C)c1	MCULE-1313838352,PC-id_53182912,EMOLS-id_33087224	347.432	CTTQEHLMGCAQJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075126
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(C)cc1	PC-id_53182910,EMOLS-id_33087218,MCULE-2227612789	347.432	MMXIMHQTRXAWRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075127
CCn1cc(CNC(=O)c2cc3c(s2)CCCCC3)c(=O)[nH]c1=O	EMOLS-id_319809340	347.432	PYFBAPAWVHHQDT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-075128
CCN(c1cccc(C)c1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	MCULE-3327336945,EMOLS-id_33086284,PC-id_53182791	347.432	WIBQLOINTLSMKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075129
CCNC(=O)c1sc(c(c1)NC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_278162294	347.432	UKXVPVHPTHJMTE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-075130
CCN(S(=O)(=O)c1cn2c(c1)C(=O)NCCC2)c1ccccc1C	MCULE-3847515779,PC-id_53182835,EMOLS-id_33086478	347.432	VPZZNBCEEQIBAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075131
CC(O)c1cc2CN(CCCn2n1)S(=O)(=O)/C=C/c1ccccc1	EMOLS-id_55629654	347.432	YHEIGBPDFDJBEJ-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075132
CCOC(=O)c1c(N/C(=C(/C(=O)N)C#N)/C)sc2c1CCCCC2	CoCoCo_4143904,PC-id_8024678	347.432	JVUOSKONHVBBFU-ZRDIBKRKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-075133
CCOC(=O)c1c(NC(=C(C(=O)N)C#N)C)sc2c1CCCCC2	MCULE-9051558342,PC-id_72066851	347.432	JVUOSKONHVBBFU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-075134
CCOC(=O)c1c(N/C(=C(C(=O)N)/C#N)/C)sc2c1CCCCC2	PC-id_98642272,CoCoCo_4143905	347.432	JVUOSKONHVBBFU-BENRWUELSA-N	00000000100000000100000000000010000000000000000000000000	31-01-075135
CCOC(=O)c1cnn(C(=O)c2cc3c(s2)CCCCCC3)c1N	EMOLS-id_76022034,MCULE-7486483049,ZINC22_241965657,PC-id_121565761	347.432	UUUGFDYCUCBRTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075136
CCOC(=O)C(=CNNC(=O)c1sc2c(c1)CCCCCC2)C#N	MCULE-7908315270,EMOLS-id_44518236,PC-id_71901497	347.432	HHBJQAAGMTYNFP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-075137
CCOC(=O)/C(=CNNC(=O)c1sc2c(c1)CCCCCC2)/C#N	PC-id_97533734	347.432	HHBJQAAGMTYNFP-QBFSEMIESA-N	00000000100000000100000000000010000000000000000000000000	31-01-075138
CC(=O)NCc1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)o1	ZINC22_69440531,MCULE-9388074196,PC-id_53563417,EMOLS-id_36315486	347.432	CTQSYWPSRPFYER-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-075139
CCS(=O)(=O)c1ccc(cc1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318980161	347.432	IQZTZYJOUBZJHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075140
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cccc(C)c1C	MCULE-8839265542,EMOLS-id_33086768,PC-id_53182866	347.432	YYAFHXKTCLPACL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075141
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(C)c(C)c1	EMOLS-id_33086802,MCULE-1249672272,PC-id_53182869	347.432	PJWQORSZEWUDAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075142
CN(CC(=O)Nc1nc2c(s1)CCCCCC2)C(=O)c1ccco1	EMOLS-id_32082252,MCULE-1901836907,ZINC22_55375398,PC-id_47070902	347.432	SMJRIUDRLXJIQJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-075143
COc1ccc(c(c1)NC(=O)Nc1nc2c(s1)CCCCC2)OC	EMOLS-id_30172553,PC-id_46350005,MCULE-7323214106	347.432	MVZHQMYWTXAHTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075144
COc1ccccc1SCc1nnc2n1CCC(CC2)C(=O)OC	MCULE-5183586618,PC-id_136557111,EMOLS-id_316951116	347.432	QYYYIHTYPHXICX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075145
COCCOc1ccc(cn1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_96559755	347.432	HTVBBJBIFRHCMG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075146
COC(=O)c1sccc1C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319406521	347.432	OZFDQJRZUFHPRS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-075147
COC(=O)[C@@H]1CCc2nnc(CSc3ccccc3OC)n2CC1	ZINC22_601044531	347.432	QYYYIHTYPHXICX-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075148
COC(=O)[C@H]1CCc2nnc(CSc3ccccc3OC)n2CC1	ZINC22_601044532	347.432	QYYYIHTYPHXICX-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075149
N12C[C@@H](C[C@H]1C(=O)NCC2=O)NC(=O)c1cc2c(CCCCC2)s1	PC-id_50960003,MCULE-6037400884,ZINC22_65396066,EMOLS-id_32390690	347.432	VUNMMIJLNRYGJL-NEPJUHHUSA-N	00000010100010000101000000000110000000000000000000000000	31-01-075150
n1c(CNC(=O)c2cc3c(CCCCC3)s2)noc1C1CCCO1	MCULE-5148607659,PC-id_118769356,EMOLS-id_68888307	347.432	UMFDZMVLVKLVNE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-075151
N#Cc1c(NC(=O)CCN2CCOC2=O)sc2c1CCCCCC2	MCULE-6590275470,ZINC22_71824305,PC-id_56819653,EMOLS-id_36931651	347.432	GMDFCRCOEZOGHQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075152
Oc1cc(C)n(c(=O)c1)CCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_319637974	347.432	KJLLWEJVBRUBFL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075153
O=c1[nH]nc(o1)C1CCCN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_110356806	347.432	HXJLFGWOSRZBLP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-075154
O=C(c1cc2c(s1)CCCCC2)Nc1cnn(c1)C(C(=O)O)(C)C	MCULE-8144987309,EMOLS-id_57913064,PC-id_120697480	347.432	GDVPPOUYUBLGJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075155
O=C(c1ccc(c(c1)S(=O)(=O)C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101670106	347.432	QQJXTLIFQNKWLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075156
O=C(c1conc1C1(C)COC1)Nc1sc2c(n1)CCCCCC2	MCULE-9637250960,EMOLS-id_320322674	347.432	GZQGIWZGMQEYHG-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-075157
O=C(c1nc2c(s1)CCN(Cc1ccoc1)CC2)N1CCOCC1	PC-id_97462048,EMOLS-id_44325481,ZINC22_96187590	347.432	RDHDSPBWUIIZJM-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-075158
O=C(c1ncoc1C1CCCO1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_49021393,MCULE-3934758897,PC-id_72013116	347.432	FFACGCOECGYGKL-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-075159
O=C(c1sc2c(c1)CCCCCC2)N1CCN2C(C1)C(=O)NC2=O	EMOLS-id_100495012	347.432	SIADWCMXFUHCRW-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-075160
O=C(CCNC(=O)c1ccoc1)Nc1nc2c(s1)CCCCCC2	EMOLS-id_32082258,MCULE-4386559778,PC-id_47070905,ZINC22_55375993	347.432	QWPLGJUGFSDJOH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-075161
O=C(N1CCCc2c(C1)cco2)Nc1ccc(cc1)N=S(=O)(C)C	MCULE-8436168357,EMOLS-id_257961307	347.432	DSZIMYNCAQRSIG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075162
OC(=Nc1nc2c(s1)CCCCC2)c1coc(C2CCOCC2)n1	EMOLS-id_97849380,MCULE-3989748702,ZINC22_328810343	347.432	OHNNEEQZIOXNMO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-075163
O=C(Nc1nc2c(s1)CCCCC2)CCN1C(=O)C(=C(C1=O)C)C	EMOLS-id_278539232	347.432	YJQWKDBMJYJNMX-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-075164
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Cc1ccc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)cc1	PC-id_100033819,ZINC22_219118268	347.453	VCMMMVWYTQJYEH-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075255
Cc1ccc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)cc1	ZINC22_219118182,PC-id_100033817	347.453	VCMMMVWYTQJYEH-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075256
O=c1n(N=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)c(N)cc(c1)C	PC-id_84905894	347.453	ORRKEMIFURQUKX-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-075257
O=S1(=O)CCCC(C1)CS(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_98204626	347.454	PMRRJFTVKGWAHX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075258
O=S1(=O)CC[C@H](S(=O)(=O)NCc2n[nH]c3c2CCCCC3)C1	ZINC22_828395471	347.454	FNQFSASPQOQAII-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-075259
O=S1(=O)CC[C@@H](S(=O)(=O)NCc2n[nH]c3c2CCCCC3)C1	ZINC22_828395474	347.454	FNQFSASPQOQAII-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075260
O=S(=O)(NCc1n[nH]c2CCCCCc12)C1CCS(=O)(=O)C1	MCULE-4303275642,EMOLS-id_232860306	347.454	FNQFSASPQOQAII-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075261
c12CN(CCC)CCCn1nc(CNC(=O)CN1CCCCC1=O)c2	MCULE-7841680857,PC-id_70747563,EMOLS-id_44438581,ZINC22_82120318	347.455	PLTREFWRRYEZFO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075262
c12CN(CC)CCCn1nc(CN1CCC(CC1)N1CCOC1=O)c2	EMOLS-id_43148788,MCULE-2074531680,PC-id_56906370,ZINC22_72154031	347.455	KPBMMZQGGGIHRS-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-075263
c12CN(CCCn1nc(CCC(=O)NC1CCCC1)c2)C(C)C(=O)N	MCULE-5066940870,EMOLS-id_44452249,PC-id_70787069	347.455	VOUDQJWOPYCGCH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075264
c12CN(CCCn1nc(CN1CCCC1)c2)C(=O)CC1COCCN1	EMOLS-id_43144522,MCULE-9179065528,PC-id_56904921	347.455	RJXWWQMZDKMJDL-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075265
c12CN(CCCn1nc(CNC(=O)C1CCCCC1)c2)C(=O)N(C)C	PC-id_70734889,ZINC22_82108130,EMOLS-id_44434073,MCULE-7507635113	347.455	NGYAITSMHSKAFR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075266
c12CN(CCCn1nc(CNC(=O)NC(C)CC)c2)C(=O)C1CCC1	PC-id_70778314,MCULE-1289737624,EMOLS-id_44449203	347.455	AKPWXSSVACPQAI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-075267
c12CN(CCCn1nc(CNC(=O)NC(C)(C)C)c2)C(=O)C1CCC1	ZINC22_82083333,MCULE-3142701271,EMOLS-id_44423405,PC-id_70704642	347.455	KBFYLBPFMGETQY-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-075268
c12C(=O)NCCCc1nc(NC(=O)CSCc1ccccc1)s2	EMOLS-id_50139205,ZINC22_211129101,MCULE-7539677273,PC-id_72719978	347.455	UODRSQWMIZLILY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075269
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C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CCSc1ccccc1	PC-id_90625457	347.455	LXMQCKFOQYYAJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075271
c1(C(=O)N2CCC(N(CC)CC)C2)cc2n(CCCN(C(=O)C)C2)n1	MCULE-3959632584,EMOLS-id_32433424,PC-id_50982691	347.455	QKIHJFBDBKTXDX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075272
c1(C(=O)N2CCN(CC2)CC2CCCO2)cc2n(CCCN(C)C2)n1	PC-id_50966097,EMOLS-id_32402134,MCULE-5243303838	347.455	ZZXCLYBUKKXEEM-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075273
c1(C(=O)NCCNC(=O)NC2CCCCC2)c2CCCCCc2[nH]n1	MCULE-8427836613,EMOLS-id_323255483	347.455	MVABGBQFOXDYOQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075274
c1(C(=O)N[C@@H]2CN3[C@H](CO[C@H](C(C)C)C3)C2)cn2c(CCNCC2)n1	MCULE-4189458626,ZINC22_1857726895,PC-id_154822087,EMOLS-id_324286847	347.455	FENMAFHUCXWEJT-DZKIICNBSA-N	00000010100010000101000000000110000000000000000000000000	31-01-075275
c1(C(=O)N[C@H]2CN3[C@H](CO[C@@H](C(C)C)C3)C2)cn2c(CCNCC2)n1	ZINC22_1857728806,EMOLS-id_324281735,MCULE-1085644969,PC-id_154818713	347.455	FENMAFHUCXWEJT-IJEWVQPXSA-N	00000010100010000101000000000110000000000000000000000000	31-01-075276
CC1CCCN(C1)C(=O)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_86796590,EMOLS-id_49950282,MCULE-2283480519	347.455	GECBAFHPFKRRSS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075277
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCCc1nnc2n1CCCCC2	PC-id_97090309,ZINC22_89917557	347.455	QTVLQWUBQJIWCH-MAZHCROVSA-N	00001010100000000101001000000010000000000000000000000000	31-01-075278
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)NCCc1nnc2n1CCCCC2	ZINC22_89917552,PC-id_97090307	347.455	QTVLQWUBQJIWCH-WQVCFCJDSA-N	00001010100000000101001000000010000000000000000000000000	31-01-075279
CC1(C)[C@H](NC(=O)NCCc2nnc3n2CCCCC3)[C@@H]2CCO[C@@H]12	PC-id_100893080,ZINC22_230088280	347.455	QTVLQWUBQJIWCH-APHBMKBZSA-N	00001010100000000101001000000010000000000000000000000000	31-01-075280
CC1(C)[C@H](NC(=O)NCCc2nnc3n2CCCCC3)[C@H]2CCO[C@@H]12	PC-id_100893082,ZINC22_230088290	347.455	QTVLQWUBQJIWCH-DAXOMENPSA-N	00001010100000000101001000000010000000000000000000000000	31-01-075281
Cc1nc(c2n1CCCN(C2)C)C(=O)NC(=CC(=O)NC)C(C)(C)C	PC-id_89797034	347.455	DPRFFFYYDKEVFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075282
CC(C)c1nnc2CCN(CCn12)C(=O)C1CN(C(=O)C1)C(C)(C)C	EMOLS-id_44714606,PC-id_70732700,MCULE-7762817070	347.455	UBXGGLGNVSYZJT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075283
CCC(c1nnc2n1CCCCC2)NC(=O)C1CCCCN(C1=O)C	EMOLS-id_316622274	347.455	SSKUOTPJDGUWOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075284
CCC(c1nnc2n1CCCCC2)NC(=O)C1CN(C1)C1CCOC1	EMOLS-id_316525499	347.455	PCMONVKZVLQNHQ-UHFFFAOYSA-N	00001010100000000101100000000010000000000000000000000000	31-01-075285
CC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)CC2	PC-id_97124397,ZINC22_91562835	347.455	UBXGGLGNVSYZJT-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075286
CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)CC2	ZINC22_91562834,PC-id_97124396	347.455	UBXGGLGNVSYZJT-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075287
CCCCCCCCCCCCNc1nc(O)c2-c(ncn2)c(O)n1	CHEMBL344336	347.455	YYIAZTGBAWFORS-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-075288
CC[C@@H](C)NC(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2	PC-id_96580555,ZINC22_82156406	347.455	AKPWXSSVACPQAI-CYBMUJFWSA-N	00001000100000000101000000000010000000000000000000000000	31-01-075289
CC[C@H](C)NC(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2	ZINC22_82156409,PC-id_96580556	347.455	AKPWXSSVACPQAI-ZDUSSCGKSA-N	00001000100000000101000000000010000000000000000000000000	31-01-075290
CC(C)N(C)CC(=O)N1CCCn2ncc(C(=O)N3CCCC3)c2C1	EMOLS-id_313773004,ZINC22_1565545934	347.455	RXJCBJRFIYKCLB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075291
CC(C)NC(=O)C1CN(Cc2ncnn2C1)C(=O)[C@H]1CC[C@H](C)CC1	EMOLS-id_313723609	347.455	JKLCWVMAZSDSOY-YEFDVDDDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075292
CC(C)NC(=O)[C@@H]1CN(C(=O)[C@H]2CC[C@H](C)CC2)Cc2ncnn2C1	ZINC22_1565548952	347.455	JKLCWVMAZSDSOY-RBSFLKMASA-N	00000000100010000101000000000010000000000000000000000000	31-01-075293
CC(C)NC(=O)[C@H]1CN(C(=O)[C@H]2CC[C@H](C)CC2)Cc2ncnn2C1	ZINC22_2055713232	347.455	JKLCWVMAZSDSOY-KKUMJFAQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075294
CCCSc1sc2c(n1)NC(=O)CN(C2=O)Cc1ccccc1	PC-id_142739047	347.455	FCMNGONDNJKIOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075295
C[C@H]1CCCN(C(=O)C(=O)NCCCc2nnc3n2CCCCC3)C1	PC-id_99785414,ZINC22_170597878	347.455	GECBAFHPFKRRSS-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075296
C[C@@H]1CCCN(C(=O)C(=O)NCCCc2nnc3n2CCCCC3)C1	ZINC22_170597877,PC-id_99785413	347.455	GECBAFHPFKRRSS-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075297
C[C@@H]1CN(Cc2nnc3n2CCCCC3)C[C@H]1C(=O)N1CCOCC1	MCULE-1098374350,EMOLS-id_112026493,ZINC22_408473600	347.455	BZWGIBHPBPUKDA-HUUCEWRRSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075298
C[C@@H](C(=O)N)N1CCCn2nc(CCC(=O)NC3CCCC3)cc2C1	PC-id_96582188,ZINC22_82167307	347.455	VOUDQJWOPYCGCH-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075299
C[C@H](C(=O)N)N1CCCn2nc(CCC(=O)NC3CCCC3)cc2C1	ZINC22_82166978,PC-id_96582144	347.455	VOUDQJWOPYCGCH-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075300
CCN(CC)[C@H]1CCN(C(=O)c2cc3n(n2)CCCN(C(=O)C)C3)C1	PC-id_95147142,ZINC22_65526508	347.455	QKIHJFBDBKTXDX-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075301
CCN(CC)[C@@H]1CCN(C(=O)c2cc3n(n2)CCCN(C(=O)C)C3)C1	ZINC22_65526507,PC-id_95147141	347.455	QKIHJFBDBKTXDX-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075302
CCSc1ccccc1C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625431	347.455	IDMZPPQXSGGNPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075303
CN1CCCn2nc(C(=O)N3CCN(C[C@H]4CCCO4)CC3)cc2C1	PC-id_95129047,ZINC22_65408218	347.455	ZZXCLYBUKKXEEM-MRXNPFEDSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075304
CN1CCCn2nc(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)cc2C1	ZINC22_65408216,PC-id_95129046	347.455	ZZXCLYBUKKXEEM-INIZCTEOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075305
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cc2c(s1)cccc2	EMOLS-id_319196049	347.455	NRLIUBUXMPVNEK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-075306
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1csc2c1cccc2	EMOLS-id_101950944	347.455	OHEKLNMCZJUZIB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-075307
CN(Cc1nnc2n1CCCCC2)C(=O)CCNC(=O)C1CCCC1	PC-id_47028864,ZINC22_58086345,EMOLS-id_31917484,MCULE-9206871579	347.455	KVQOFRAICNSRLF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075308
CN(C)CCN1CC(CC1=O)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-2346630310,EMOLS-id_46652164,PC-id_72941210	347.455	SCSZNJVUYBGEOY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075309
CN(C)CCN1C[C@H](C(=O)NCc2n[nH]c3c2CCCCC3)CC1=O	PC-id_97211139,ZINC22_95392888	347.455	SCSZNJVUYBGEOY-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075310
CN(C)CCN1C[C@@H](C(=O)NCc2n[nH]c3c2CCCCC3)CC1=O	ZINC22_95392889,PC-id_97211140	347.455	SCSZNJVUYBGEOY-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075311
CN(CC(=O)N(C1CCCC1)C1CC1)Cc1nnc2n1CCOCC2	ZINC22_1615554753,EMOLS-id_320329928,MCULE-7141195629	347.455	YQWGJBYRAMNQBQ-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-075312
CN(C(=O)C1CN(C1)C1CCOCC1)Cc1nnc2n1CCCCC2	EMOLS-id_278262386	347.455	YEPPCLFFWPOYIU-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-075313
CNC(=O)/C=C(/C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C	SCHEMBL15247961	347.455	DPRFFFYYDKEVFJ-UVTDQMKNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075314
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=C	PC-id_57635348,SCHEMBL1175139	347.455	JWXSAAHJDTWJGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075315
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=C	SCHEMBL1175136,PC-id_57736885	347.455	JWXSAAHJDTWJGI-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075316
COC1(CC(=O)N2CCCn3nnc(CN4CCCC4)c3C2)CCC1	ZINC22_1565555009,EMOLS-id_313732826	347.455	NQIXXBSYKTUUHH-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-075317
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2nnc3n2CCCCC3)C1	ZINC22_329045318,EMOLS-id_98346005,MCULE-6640380413	347.455	UQTKEDRJCSWOCV-GJZGRUSLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075318
n1c(CN2CCCC(C2)C(=O)N2CCOCC2)cc2CNCCCn12	PC-id_56898410,EMOLS-id_43124091,MCULE-8138860534	347.455	YXAFCNSDPKIQFU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075319
n1c(CN2CCCN(CC2)C(=O)C2CCCO2)cc2CNCCCn12	PC-id_56881957,MCULE-4423167113,EMOLS-id_43056736	347.455	VDUWKIFJGWWFLA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075320
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OC1(CC(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)CCC1	EMOLS-id_313732311,ZINC22_1565544833	347.455	SOXLNYFUDWRSHH-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-075325
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O=C([C@H]1CCCN(Cc2cc3n(n2)CCCNC3)C1)N1CCOCC1	ZINC22_72161074,PC-id_95723428	347.455	YXAFCNSDPKIQFU-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075335
O=C([C@@H]1CCCN(Cc2cc3n(n2)CCCNC3)C1)N1CCOCC1	ZINC22_72161075,PC-id_95723429	347.455	YXAFCNSDPKIQFU-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075336
O=C([C@@H]1CCCO1)N1CCCN(Cc2cc3n(n2)CCCNC3)CC1	PC-id_95707331,ZINC22_72121609	347.455	VDUWKIFJGWWFLA-KRWDZBQOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075337
O=C([C@H]1CCCO1)N1CCCN(Cc2cc3n(n2)CCCNC3)CC1	PC-id_95707332,ZINC22_72121610	347.455	VDUWKIFJGWWFLA-QGZVFWFLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075338
O=C(CN1Cc2ccnn2CCC1CN1CCOCC1)N1CCCC1	EMOLS-id_313817641	347.455	GCCSEFKKNAQGFN-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075339
O=C(CN1Cc2ccnn2CC[C@H]1CN1CCOCC1)N1CCCC1	ZINC22_585096964	347.455	GCCSEFKKNAQGFN-INIZCTEOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075340
O=C(CN1Cc2ccnn2CC[C@@H]1CN1CCOCC1)N1CCCC1	ZINC22_585096965	347.455	GCCSEFKKNAQGFN-MRXNPFEDSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075341
O=C(CN1CCOCC1)N1Cc2ccnn2CC[C@H]1CN1CCCC1	ZINC22_585097253	347.455	JEUCJVGKTMGXIZ-INIZCTEOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075342
O=C(CN1CCOCC1)N1Cc2ccnn2CC[C@@H]1CN1CCCC1	ZINC22_585097255	347.455	JEUCJVGKTMGXIZ-MRXNPFEDSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075343
O=C(CNC(=O)C1CCCCC1)NCCc1nnc2n1CCCCC2	EMOLS-id_98969209	347.455	MFGXIHLQSBOTLK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075344
O=C(CNC(=O)CC1CCCC1)NCCc1nnc2n1CCCCC2	MCULE-3148875324,PC-id_71934534,ZINC22_89819296,EMOLS-id_45645264	347.455	XDJOKQSDYKHSAX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075345
O=C(N1CC(C1C1CCCO1)(C)C)NCc1nnc2n1CCCCC2	EMOLS-id_99625395	347.455	ADIGQCGYZTYNJW-UHFFFAOYSA-N	00001010100000000101100000000010000000000000000000000000	31-01-075346
O=C(N1CCC(C1)C1CCOC1)NCCc1nnc2n1CCCCC2	EMOLS-id_100984189	347.455	FVFGESCMAKSDLB-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-075347
O=C(N1CCC(C1)C1CCOCC1)NCc1nnc2n1CCCCC2	EMOLS-id_98025012	347.455	AOMQVOPKBUPSOT-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-075348
O=C(N1CCCC1C1CCOCC1)NCc1nnc2n1CCCCC2	EMOLS-id_98897439	347.455	WRFYMNRWHBRTCI-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-075349
O=C(N1CCCc2c(C1)cnn2C)NCC1(CCCC1)C(=O)N(C)C	EMOLS-id_101729769	347.455	SAXPETIMLWPQCQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075350
O=C(N1CCCc2c(C1)cnn2C)NCCC(=O)N1CCCCCC1	EMOLS-id_101724132	347.455	HURCKOUQUCVKBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075351
O=C(N1CCCc2c(C1)cnn2C)NC(C(=O)N1CCCCC1C)C	EMOLS-id_101722455	347.455	JRECTIAOBFHFGR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075352
O=C(N1CCCC(C1)N1CCCC1)Cn1nc2n(c1=O)CCCCC2	PC-id_86823297	347.455	NLIDYSFKNSYCKW-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-075353
O=C(N1CCC(CC1)OCC1CC1)NCc1nnc2n1CCCCC2	EMOLS-id_99800987	347.455	BPBWWEFLCOEPNP-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-075354
O=C(N1CC([C@@H]2[C@H]1COC2)(C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_101387407	347.455	BHISWEZWNQYMMN-UONOGXRCSA-N	00000010100000000101000000000110000000000000000000000000	31-01-075355
O=C(N1CCOCC1)C1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_99158353	347.455	JVJDJGYMSRBBMH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075356
O=C(N1CCOCC1)N1CCc2ncc(CN3CCCCC3)n2CC1	EMOLS-id_44328731,PC-id_97467044,CHEMBL3552532,ZINC22_96196900	347.455	WFNMUHGDVODPCM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075357
O=C(N1CCOCC(C1)C1CCC1)NCc1nnc2n1CCCCC2	EMOLS-id_100531839	347.455	VLROOSXIQPZIKM-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-075358
O=C(N(C1CC1)CC1CCOC1)NCCc1nnc2n1CCCCC2	EMOLS-id_98086438	347.455	IXXRUCJZLQLZLV-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-075359
O=C(NC1CCCCC1)CCNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101715482	347.455	WLIXUBOFVYFHPU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075360
O=C(N(C1CCCCC1)C)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101720319	347.455	VYSXYJBHWDWEOJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075361
O=C(NC1CCCCC1)NC1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_50590506,MCULE-6770028880,PC-id_91910856	347.455	KHMSHJNUPOVTAU-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-075362
O=C(N(Cc1n[nH]c2c1CCCCC2)C)[C@@H]1CCCN(C1)CC(=O)N	PC-id_52392831	347.455	CXCSCCCSNNOACP-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075363
O=C(N(Cc1n[nH]c2c1CCCCC2)C)[C@H]1CCCN(C1)CC(=O)N	PC-id_52392833	347.455	CXCSCCCSNNOACP-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075364
O=C(NC(C(=O)N1CCCCC1)C)CN1CCCc2c(C1)cnn2C	EMOLS-id_101740885	347.455	CAGOCQLRPORTKM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075365
O=C(NC(=O)C(N1CCCc2c(C1)cnn2C)C)NC1CCCCC1	EMOLS-id_101741812	347.455	LRIWEEFTDBJCFU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075366
O=C(NC(=O)NC1CCCCC1C)CN1CCCc2c(C1)cnn2C	EMOLS-id_101738906	347.455	VRETURNIFHTLNQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075367
s1c2CCCCCc2cc1C(=O)NNC(=O)C1C=CC=NC1=S	PC-id_74855057	347.455	GGFDEAILUZRTOO-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-075368
C1CCc2nnc(n2CC1)CCNC(c1ccccc1)c1ccccn1	MCULE-2883613489,EMOLS-id_49923260,PC-id_86784011	347.457	WNGFDAXZSCVDLA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075369
c1ccc([C@@H](NCCc2nnc3n2CCCCC3)c2ccccn2)cc1	PC-id_99819676,ZINC22_180051996	347.457	WNGFDAXZSCVDLA-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075370
c1ccc([C@H](NCCc2nnc3n2CCCCC3)c2ccccn2)cc1	ZINC22_180051979,PC-id_99819675	347.457	WNGFDAXZSCVDLA-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075371
c1ccc(CN2Cc3cccn3C[C@H](CCNc3ccccn3)C2)nc1	ZINC22_585095519	347.457	VCCAYZFOWPTPGM-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075372
c1ccc(CN2Cc3cccn3C[C@@H](CCNc3ccccn3)C2)nc1	ZINC22_585095520	347.457	VCCAYZFOWPTPGM-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075373
c1cc(CNCCc2nnc3n2CCCCC3)cc(c2ccncc2)c1	EMOLS-id_45656503,MCULE-5346250345,PC-id_71926058,ZINC22_89780869	347.457	QDQXLMNJSDVIOT-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-075374
c1ccc(NCC[C@H]2CN(Cc3cccnc3)Cc3cccn3C2)nc1	ZINC22_585095444	347.457	QSPXZGYHBNHBRL-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-075375
c1ccc(NCC[C@@H]2CN(Cc3cccnc3)Cc3cccn3C2)nc1	ZINC22_585095445	347.457	QSPXZGYHBNHBRL-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075376
c1ccc(NCC[C@H]2CN(Cc3ccncc3)Cc3cccn3C2)nc1	ZINC22_585095461	347.457	RSZFHLDJMKKJPL-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-075377
c1ccc(NCC[C@@H]2CN(Cc3ccncc3)Cc3cccn3C2)nc1	ZINC22_585095462	347.457	RSZFHLDJMKKJPL-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075378
Cc1cccc(n1)CN1CCn2c(CC1)nnc2CCc1ccccc1	PC-id_28230340,CoCoCo_1430608,CoCoCo_1430607	347.457	JIENJBWGSYUHGT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075379
Cc1ccncc1CNc1ccc(Cc2nnc3n2CCCCC3)cc1	EMOLS-id_75979733,MCULE-4095708217,PC-id_121548630,ZINC22_253427723	347.457	DJMIOSFBQZCBIR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075380
C(CC1CN(Cc2ccccn2)Cc2cccn2C1)Nc1ccccn1	EMOLS-id_313836066	347.457	VCCAYZFOWPTPGM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075381
C(CC1CN(Cc2cccnc2)Cc2cccn2C1)Nc1ccccn1	EMOLS-id_313835810	347.457	QSPXZGYHBNHBRL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075382
C(CC1CN(Cc2ccncc2)Cc2cccn2C1)Nc1ccccn1	EMOLS-id_313745588	347.457	RSZFHLDJMKKJPL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075383
N1(CCCCC1)c1ccc(cc1)/C=C(c1n2CCCCCc2nn1)/C#N	PC-id_60459749	347.457	VGWLWNUFHJRQTC-SDXDJHTJSA-N	00000000100010110101100000000010000000000000000000000000	31-01-075384
N1(CCCCC1)c1ccc(cc1)C=C(c1n2CCCCCc2nn1)C#N	PC-id_76862590	347.457	VGWLWNUFHJRQTC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-075385
N1(CCCCC1)c1ccc(cc1)/C=C(/c1n2CCCCCc2nn1)C#N	PC-id_8275438	347.457	VGWLWNUFHJRQTC-OBGWFSINSA-N	00000000100010110101100000000010000000000000000000000000	31-01-075386
c1(NC(=O)CSc2nncn2C)sc2c(CCCCC2)c1C#N	CHEMBL1577929,EMOLS-id_3489336,MCULE-1386926728,CoCoCo_3047640,PC-id_2514970,ChEMBL-DNDi_CHEMBL1577929,ZINC22_3396506	347.458	OUHUESWMOHSZIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075387
Cc1csc2nc(CSc3nnc4n3CCCCC4)cc(=O)n12	ZINC22_6849713,EMOLS-id_3529655,PC-id_8097680,CoCoCo_3082089,MCULE-9847208865	347.458	ZTVSWERMNCPUGV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-075388
Cc1csc([C@H](C#N)C(=O)CSc2nnc3n2CCCCC3)n1	PC-id_8941824,ZINC22_7822013	347.458	BNECROUIMYWTBZ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075389
Cc1csc([C@@H](C#N)C(=O)CSc2nnc3n2CCCCC3)n1	ZINC22_7822008,PC-id_8941819	347.458	BNECROUIMYWTBZ-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-075390
Cc1csc(n1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135757043	347.458	RFAQAQJGRJLHHA-QXMHVHEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075391
Cc1csc(n1)SCC(=C(C#N)c1nnc2n1CCCCC2)O	PC-id_136793196	347.458	RFAQAQJGRJLHHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075392
CC(c1nnc(o1)c1cccs1)Sc1nnc2n1CCCCC2	EMOLS-id_11848703,MCULE-4685973796,PC-id_16382973	347.458	KTVYGJBRFLJFDM-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-075393
C[C@@H](Sc1ncn[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4171928,CoCoCo_4171930,PC-id_9450047,CoCoCo_4171926,ZINC22_8324290,CoCoCo_4171932	347.458	ZRGJKAWKKHJUJN-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075394
C[C@H](Sc1ncn[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_8324289,CoCoCo_4171927,CoCoCo_4171929,CoCoCo_4171931,CoCoCo_4171925,PC-id_9450046	347.458	ZRGJKAWKKHJUJN-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-075395
C[C@H](Sc1nnc2n1CCCCC2)c1nnc(c2cccs2)o1	CoCoCo_4013275,PC-id_40972607,ZINC22_9217892	347.458	KTVYGJBRFLJFDM-JTQLQIEISA-N	00000000100100000101100000000010000000000000000000000000	31-01-075396
C[C@@H](Sc1nnc2n1CCCCC2)c1nnc(c2cccs2)o1	PC-id_40972608,CoCoCo_4013276,ZINC22_9217893	347.458	KTVYGJBRFLJFDM-SNVBAGLBSA-N	00000000100100000101100000000010000000000000000000000000	31-01-075397
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1sccc1C#N	CoCoCo_4173156,ZINC22_8155992,PC-id_9291188	347.458	QESOKHAWHGXIBG-JTQLQIEISA-N	00000000100100000101000000000010000000000000000000000000	31-01-075398
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1sccc1C#N	PC-id_9291189,CoCoCo_4173155,ZINC22_8155993	347.458	QESOKHAWHGXIBG-SNVBAGLBSA-N	00000000100100000101000000000010000000000000000000000000	31-01-075399
CC(N1C2CCC1CN(CC2)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102164956	347.458	GJOJXFQRVKZULT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075400
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)C(=O)C	PC-id_110963587	347.458	RACFBADKYLFBBH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075401
CCNC(=NCc1nnc2n1CCCCC2)NCCNC(=O)C1CC1	PC-id_111927350	347.458	NDKCLDRIPMQVNH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-075402
CCNC(=NCc1nnc2n1CCCCC2)NCC(=O)N1CCCC1	PC-id_111928989	347.458	PABJEVVRUOPSJL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075403
CN1CCC(CC1)C1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166921	347.458	MUMQRQDDIHNCDZ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-075404
CN=C(N1CCCC(C1)CC(=O)N)NCc1nnc2n1CCCCC2	PC-id_109557952	347.458	KXLNTLFMRPIQKD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075405
CN=C(N1CCN(CC1)C(=O)C)NCCc1nnc2n1CCCCC2	PC-id_119116023	347.458	NGVJOOXRFKKKGS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075406
CN=C(NC1CCN(C1)C(=O)CC)NCc1nnc2n1CCCCC2	PC-id_109816997	347.458	LZRGTHRFRXGOMR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075407
N#Cc1ccsc1NC(=O)C(Sc1nnc2n1CCCCC2)C	PC-id_16331632,MCULE-4004422534,EMOLS-id_3684701	347.458	QESOKHAWHGXIBG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-075408
N#Cc1c(NC(=O)C(Sc2nnc[nH]2)C)sc2c1CCCCC2	PC-id_16335901,MCULE-3073569456,EMOLS-id_3687351	347.458	ZRGJKAWKKHJUJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075409
N#C/C(=C/1NN=C2N1CCCCC2)/C(=O)CSc1scc(n1)C	CoCoCo_4178186,PC-id_8936272	347.458	GICNYCQRGOFIGF-KAMYIIQDSA-N	00000011100000000111000000000010000000000000000000000000	31-01-075410
N#C/C(=C
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N#CC(=C1NN=C2N1CCCCC2)C(=O)CSc1scc(n1)C	PC-id_72065596,EMOLS-id_26211642,MCULE-3262738367	347.458	GICNYCQRGOFIGF-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-075412
N#CC(c1scc(n1)C)C(=O)CSc1nnc2n1CCCCC2	PC-id_45100186,MCULE-9952532343,EMOLS-id_45733179	347.458	BNECROUIMYWTBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075413
O=C(N1CCCC1CN1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102163192	347.458	MZZWBIRUWXYPPG-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-075414
O=C(N1CCC(CC1)N1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183264	347.458	ZLMHTJFFDGNVAF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-075415
O=C(N1CCCC(CC1)N1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102163429	347.458	DEVVGBZVSRJAKC-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-075416
O=C(N1CCCN(CC1)C1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102163432	347.458	MBZHQDVWJUFYHE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-075417
O=C(N1CCN(CC1)C1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102165211	347.458	JWHJZWNWCCDRDI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-075418
O=C(NC1CCn2c(CC1)nnn2)NC1CCN(CC1)C1CCCC1	EMOLS-id_102182772	347.458	OOMPIFVLGUPXSM-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-075419
BrC1CCCCCc2c1noc2C(Cl)(Cl)Cl	PC-id_42632200	347.463	DHCDSCBNWJTDBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075420
O=C(c1sc2c(c1)CCCCCC2)N1C[C@@H]([C@H](C1)C1CC1)C(=O)O	PC-id_120979360	347.472	PZSVQEAHQLTHFH-CABCVRRESA-N	00100010100000000100100000000010000000000000000000000000	31-01-075421
s1c(NC(=O)C2C3CC(C2)CC3)c(c2c1CCCCC2)C(=O)OC	PC-id_3368230	347.472	NOIOZWKTBABPDZ-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-075422
Fc1ccc(cc1)[C@@H]1CCC[N@@H+]1Cn1nc2n(c1=S)CCCCC2	GD-id_ZINC26238018	347.473	LTHJGZKTJKXMLU-INIZCTEOSA-O	00000010100000110101100000000010000000000000000000000000	31-01-075423
Fc1ccc(cc1)C[N@H+](C1CC1)Cn1nc2n(c1=S)CCCCC2	PC-id_25983346,GD-id_ZINC14185620	347.473	WBYBBYYPIGOIGM-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-075424
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CCC(CN1CCc2n(CC1)c(nn2)CCNC(=O)C1CCC1)CC	CoCoCo_1221421,CoCoCo_1221422,ChEMBL-DNDi_CHEMBL21480436	347.498	FIOKLXBFFSEPDL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-075604
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CCCN1CCCC(C1)C(=O)NC(c1nnc2n1CCCCC2)CC	EMOLS-id_278747301	347.498	IPULNPGIKZLRGI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075609
CCCN1CCCC(C1)C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_320270634,MCULE-5870699256	347.498	FUPFOICRADAENH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075610
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CC(C)N1CCC[C@@H]1CNC(=O)N(C)Cc1n[nH]c2c1CCCCC2	ZINC22_584898327	347.498	SKLLYVNHXJBMKB-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075612
CCCN(C1=CC=CCc2n1c(CO)c(n2)CNC)CCCN(C)C	PC-id_143518557	347.498	ZSSDMJLWEJCIHW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-075613
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C[C@H]1CCC[C@H](NC(=O)NCCCc2nnc3n2CCCCC3)CC1	PC-id_99824693,ZINC22_187989238	347.498	HFFNNGKRRUDELX-HOTGVXAUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075615
C[C@@H]1CCC[C@@H](NC(=O)NCCCc2nnc3n2CCCCC3)CC1	PC-id_99824694,ZINC22_187989260	347.498	HFFNNGKRRUDELX-HZPDHXFCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075616
C[C@@H]1CCC[C@H](NC(=O)NCCCc2nnc3n2CCCCC3)CC1	ZINC22_187989213,PC-id_99824692	347.498	HFFNNGKRRUDELX-CVEARBPZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075617
C[C@H]1CCC[C@@H](NC(=O)NCCCc2nnc3n2CCCCC3)CC1	ZINC22_187989283,PC-id_99824695	347.498	HFFNNGKRRUDELX-JKSUJKDBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075618
C[C@@H]1CC[C@H](NC(=O)NCCCc2nnc3n2CCCCC3)[C@H](C)C1	PC-id_96540564,ZINC22_79098762	347.498	XDHABMNRKDWHTH-OAGGEKHMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075619
C[C@H]1CC[C@H](NC(=O)NCCCc2nnc3n2CCCCC3)[C@H](C)C1	PC-id_96540566,ZINC22_79098766	347.498	XDHABMNRKDWHTH-XHSDSOJGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075620
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C[C@H]1CC[C@@H](NC(=O)NCCCc2nnc3n2CCCCC3)[C@@H](C)C1	ZINC22_195530236,PC-id_99846244	347.498	XDHABMNRKDWHTH-HRCADAONSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075622
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C[C@H](C(=O)NCCCc1nnc2n1CCCCC2)N1CCCCCC1	PC-id_97580574,ZINC22_96436317	347.498	LYVGRFFMXMNQFK-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075628
C[C@@H](C(=O)NCCCc1nnc2n1CCCCC2)N1CCCCCC1	ZINC22_96436316,PC-id_97580573	347.498	LYVGRFFMXMNQFK-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075629
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OC1(CCN(CC1)Cc1nnc2n1CCCCC2)CN1CCCCC1	EMOLS-id_320319500,MCULE-5130685400	347.498	CMNCUDOFJUBKPV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075638
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s1c2c(CCCCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC)C#N	PC-id_51602555	347.498	HOKDXDLSPXLYQB-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-075653
s1c2CCCCCCc2cc1C(=O)N/N=C(/c1scnc1C)C	PC-id_75362579	347.498	VETIALIPNOQNLZ-XDHOZWIPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075654
s1c2CCN(CCc2nc1N)CC=Cc1ccc(S(=O)C)cc1	PC-id_54439339	347.498	WMZCUHLXHYCCEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075655
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CCCN1CCC(CC1)NC(=NC)NCc1nnc2n1CCCCC2	PC-id_111019205	347.502	XOASZAIUDKVMIH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075657
CCN1CCCC1CN=C(NCCCc1nnc2n1CCCCC2)N	PC-id_111093773	347.502	DVEKFDQCUPKAPF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075658
CCNC(=NCc1nnc2n1CCCCC2)NCC1CCCN1CC	PC-id_111261775	347.502	IHHXWJXLJKELJZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075659
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O=C(N1CCCn2c(C1)cc(n2)N)Nc1c(Cl)ccc2c1CCO2	EMOLS-id_319169562	347.799	RDXOQXCNPRYXBN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-075685
O=CC1=C(Cl)c2sccc2N(CC1)C(=O)OCc1ccccc1	SCHEMBL19454492	347.816	WRIZXFWQGAGCOT-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-075686
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)C=Cc1ccccc1Cl	PC-id_90625268	347.819	ULMWYNYDEUIASI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075687
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)C=Cc1ccc(cc1)Cl	PC-id_90625507	347.819	KUQIYMOXUYNDLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075688
COc1cc(ccc1OC)NC1=NC(C)(Cl)C#Cc2c1ncs2	PC-id_121481003,SCHEMBL17922033	347.819	NDWCJNGFHRWMCS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-075689
Cc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Cl)cn2n1	BindingDB-id_300539,PC-id_71748065,TT-id_D0B3CG,BindingDB_PC-id_71748065,SCHEMBL15282889	347.823	WOOXFLPCMNOANB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-075690
c12CN(CCCn1nc(CO)c2)C(=O)CCCc1ccc(cc1)Cl	MCULE-3195189911,PC-id_91793522,EMOLS-id_55699191	347.839	ACZZOHGBGDFGRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075691
c12nccn1CCCN(C(=O)COc1ccc(cc1C)Cl)C2CC	MCULE-1274671934,EMOLS-id_55717334	347.839	AUCOUEYMZATQKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075692
Cc1ccc(c(c1)OC(C(=O)N1CCCc2c(C1)cnn2C)C)Cl	EMOLS-id_318022550	347.839	WEOVFNHRZHWVIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075693
Cc1cc(O)c(cc1C(=O)N1Cc2cnn(c2CC(C1)(C)C)C)Cl	EMOLS-id_318825307	347.839	JMCHTJITEYRANL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075694
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCOc1ccc(cc1)Cl	EMOLS-id_319478567	347.839	UTSXWXDNAWMSIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075695
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCOc1ccccc1Cl	EMOLS-id_319540127	347.839	XIBYLLIURYZEAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075696
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Oc1ccc(cc1C)Cl)C	EMOLS-id_319314343	347.839	YQRDMIXNPRPPSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075697
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Oc1ccc(c(c1)C)Cl)C	EMOLS-id_320086995,MCULE-8007507145	347.839	ILOWOWGJTNNVKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075698
CC1CN(Cc2c(C1)[nH]nc2)C(=O)C(Oc1cc(C)ccc1Cl)C	MCULE-9650758493,EMOLS-id_320306284	347.839	MYFQCBLPEQGVNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075699
CCC(C(=O)N1CC(C)Cc2c(C1)cn[nH]2)(c1cccc(c1)Cl)O	EMOLS-id_319973405,MCULE-6436905126	347.839	AGYWCLWNSHGLRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075700
CC(C)OCc1ncn2c1CN(C(=O)c1cccc(Cl)c1)CCC2	EMOLS-id_44371390,ZINC22_96259927,PC-id_97520007	347.839	CEPLFMPOSOQPKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075701
CC(OCc1ncn2c1CN(CCC2)C(=O)c1ccc(cc1)Cl)C	PC-id_97405857	347.839	UJWZVSAVTGAXJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075702
COc1ccc(cc1Cl)CCC(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320150600,MCULE-3289501975	347.839	DRJFVKVEQYOOOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075703
COCC1CN(Cc2cncn2C1)C(=O)CCc1ccccc1Cl	EMOLS-id_49232809	347.839	JLBAGJGNCVSQDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075704
COC[C@H]1CN(C(=O)CCc2ccccc2Cl)Cc2cncn2C1	PC-id_97477259,ZINC22_96209132	347.839	JLBAGJGNCVSQDY-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075705
COC[C@@H]1CN(C(=O)CCc2ccccc2Cl)Cc2cncn2C1	PC-id_97477260,ZINC22_96209133	347.839	JLBAGJGNCVSQDY-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075706
OCCNC(=O)c1n[nH]c2c1CCCCC2Cc1cccc(c1)Cl	PC-id_143431335	347.839	GAYFVVDTWQKRQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075707
c1(CN(C)CC(=O)Nc2ccc(cn2)Cl)c2CCCCCc2[nH]n1	MCULE-8108926121,ZINC22_1506403466,EMOLS-id_316276245	347.842	RWUGEVNFKUEGFT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075708
CC1Cc2nnc(COc3cncc(Cl)c3)n2CCN1CC1CC1	EMOLS-id_313827107	347.842	PDKUXLMDPJFIRQ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-075709
Cc1ccc(c(c1)Cl)NC(=O)N(Cc1nnc2n1CCCCC2)C	MCULE-6311978504,EMOLS-id_320098846	347.842	CXLJBEIWYPKZFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075710
Cc1cccc(Cl)c1NC(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_49322649,MCULE-3221283247,ZINC22_97161893,PC-id_75509272	347.842	WYRHWZDYDIJKDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075711
Cc1ccc(Cl)cc1NC(=O)N[C@H](C)c1nnc2n1CCCCC2	MCULE-1930244932,EMOLS-id_35771551,ZINC22_65562751,PC-id_53546204	347.842	BNHNAMCFTPJARG-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075712
Cc1ccc(NC(=O)N(C)Cc2nnc3n2CCCCC3)cc1Cl	CoCoCo_4490608,PC-id_17436093,ZINC22_8704812,EMOLS-id_12015325,MCULE-8909213620	347.842	UEGLXKCLHVZZGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075713
CCc1ncc(c(n1)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C)Cl	EMOLS-id_318941497	347.842	VYRYWGFIPWFHQW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-075714
CC(Cc1ccccc1Cl)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318821354	347.842	KUESTEDNOCVAQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075715
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1cccc(c1)Cl	EMOLS-id_42886333,PC-id_72137924,MCULE-1798704766	347.842	QJHRPBKXSMASHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075716
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccccc1Cl	MCULE-2390368547,EMOLS-id_42886329,PC-id_72137927	347.842	NDDWPTRLBMDAHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075717
CC[C@H](NC(=O)Nc1ccccc1Cl)c1nnc2n1CCCCC2	ZINC22_72275154,PC-id_95763295	347.842	NDDWPTRLBMDAHR-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075718
CC[C@@H](NC(=O)Nc1ccccc1Cl)c1nnc2n1CCCCC2	ZINC22_72275155,PC-id_95763296	347.842	NDDWPTRLBMDAHR-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075719
CC[C@@H](NC(=O)Nc1cccc(Cl)c1)c1nnc2n1CCCCC2	PC-id_95763304,ZINC22_72275163	347.842	QJHRPBKXSMASHZ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075720
CC[C@H](NC(=O)Nc1cccc(Cl)c1)c1nnc2n1CCCCC2	ZINC22_72275162,PC-id_95763303	347.842	QJHRPBKXSMASHZ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075721
C[C@@H]1Cc2nnc(COc3cncc(Cl)c3)n2CCN1CC1CC1	ZINC22_585097918	347.842	PDKUXLMDPJFIRQ-GFCCVEGCSA-N	00100000100000101101000000000010000000000000000000000000	31-01-075722
C[C@H]1Cc2nnc(COc3cncc(Cl)c3)n2CCN1CC1CC1	ZINC22_585097919	347.842	PDKUXLMDPJFIRQ-LBPRGKRZSA-N	00100000100000101101000000000010000000000000000000000000	31-01-075723
CCNc1ncc(cc1Cl)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_319719930	347.842	XPIXJUVGXDUBNU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075724
Clc1ccc(c(c1)C)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_318835615	347.842	ICNHLMACFIPOSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075725
Clc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)N(C)C	EMOLS-id_101965653	347.842	LWEFWSFMFFOSQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075726
Clc1cc(N(Cc2n3CCCCCc3nn2)C(=O)NCC)ccc1	PC-id_7566003	347.842	DWEVHOQJQCBZGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075727
Clc1cc(NC(=O)NC(c2n3CCCCCc3nn2)C)c(cc1)C	PC-id_76051324	347.842	BNHNAMCFTPJARG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075728
Clc1cc(NC(=O)NCCc2n3CCCCCc3nn2)ccc1C	PC-id_40111053,CoCoCo_4490666	347.842	QPMVNGYBQGZNHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075729
Clc1c(N(Cc2n3CCCCCc3nn2)C(=O)NCC)cccc1	PC-id_7565990	347.842	GXERTRVUJWNKMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075730
CN(Cc1cc(ccc1Cl)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316683259	347.842	PJQRCXXUBJBBEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075731
CN(Cc1ccc(cc1Cl)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319620850	347.842	RUTVFQUTWWDXDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075732
CN(C(=O)Nc1cccc(c1C)Cl)Cc1nnc2n1CCCCC2	EMOLS-id_320213164,MCULE-6498751180	347.842	OQCUWUKHKUDECS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075733
CN(C(=O)Nc1c(C)cccc1Cl)Cc1nnc2n1CCCCC2	MCULE-7549549678,EMOLS-id_320227524	347.842	ZXLYYGRMKWFZET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075734
Nc1ccc(c(c1)C(=O)NCCCc1nnc2n1CCCCC2)Cl	MCULE-4453679223,EMOLS-id_319923014	347.842	ITWKLNRRDQMKKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075735
O=C(c1ccc(c(c1)Cl)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102176507	347.842	ZZGYYVIFRRRNPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075736
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1N(C)C)Cl	EMOLS-id_101951991	347.842	OVSZVOJTOVNSIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075737
O=C(N1CCCn2c(C1)cc(n2)N)NCCc1ccc(c(c1)C)Cl	MCULE-2678588815,EMOLS-id_320092289	347.842	ZOYWSBARTBNZBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075738
O=C(NCCCc1nnc2n1CCCCC2)Nc1ccccc1Cl	ZINC22_67013350,EMOLS-id_36944924,MCULE-4354631763,PC-id_56824155	347.842	CIBWPERKULGTGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075739
O=C(NCCCc1nnc2n1CCCCC2)Nc1cccc(Cl)c1	PC-id_56824157,MCULE-2832372688,ZINC22_67013400,EMOLS-id_36944928	347.842	QHLKYLFNFDVPLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075740
O=C(NCCCc1nnc2n1CCCCC2)Nc1ccc(Cl)cc1	MCULE-1802874261,PC-id_56824156,ZINC22_67013383,EMOLS-id_36944926	347.842	MWUCZGODLLKCHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075741
Clc1sc(cc1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028553	347.844	WLISHDLFMVTZPH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-075742
Clc1nccc2c1sc(c2)CNCc1nnc2n1CCCCC2	MCULE-3183291296,EMOLS-id_257986853	347.866	ILSDDHBCUNXHHN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-075743
Clc1ccc(C(c2n3CCCCCCc3nn2)(CCOC)C)cc1	SCHEMBL12020354,PC-id_68198664	347.882	YBZHKRYFTOAWEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075744
CCOC(=O)C1=C(C2=C[I-]C=CN=C2S1)C	PC-id_163583712	347.956	PIIWORSFXOMPDJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-075745
C/C=C/1C(=O)CNC(=O)c2c1c(Br)c([nH]2)Br	PC-id_145541580	347.991	BPDDBLXHVDWBBG-DUXPYHPUSA-N	00000000100000000100000000000010000000000000000000000000	31-01-075746
O=c1c(C)cc2c(cc1C)c(sc2Br)Br	PC-id_101368357	348.054	ZOZLICRZVKPSLJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-075747
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCCNS2=O	PC-id_154682034	348.069	XPCBYXDFIGYRAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075748
CN1C=C(C(=N1)OC)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N	EMOLS-id_317760196,PC-id_154786621,MCULE-8017618281	348.126	KNYFLTIGIOOXJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075749
CC(C)(CC(=O)N)NCC(=O)NC1=C(C2=C(S1)CCCCC2)C#N	PC-id_154806224	348.162	DPHOAQFEZWZXHS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-075750
C1CN(CCN2C1=NC(=N2)CC3=CC=CC=C3)C(=O)C4=CC(=NC=C4)N	PC-id_165422109	348.17	CSYOYHYJULDDBN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075751
Brc1ccccc1/C=N/N=C/1NNC(=[NH2+])Cc2n1cnn2	GD-id_ZINC15226799	348.181	UVCWNPNACYIYGL-GIDUJCDVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-075752
Brc1ccccc1/C=N/N=C/1NNC(=[NH2+])Cc2n1ncn2	GD-id_ZINC06059492	348.181	XFGATFBWVDGTOJ-OMCISZLKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-075753
Brc1c(C=[NH+]NC2=NN=C(N)Cc3n2cnn3)cccc1	PC-id_26478058	348.181	UVCWNPNACYIYGL-UHFFFAOYSA-O	00000000100000110111000000000010000000000000000000000000	31-01-075754
CC(=CCO[C@H]1COCC[C@@H]1NC(=O)C2=NN=C3N2CCCCC3)C	PC-id_164642412	348.216	ASNLSEXTCZNMEN-GJZGRUSLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075755
CC(C)(C)OC(=O)N1CCC2=C(CC1)N(N=C2)C(=O)N3CCCCC3	PC-id_151335108	348.216	OJGQYYPSOPBZCW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075756
CCN(CCOC)C(=O)C1=NN(C2=C1CCC/C(=CN(C)C)/C2=O)C	PC-id_147532142	348.216	FNGBCRKQBYMVFT-OUKQBFOZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075757
Brc1cc(OCCn2cc3CCCCC(=O)c3c2)ccc1	PC-id_83206841	348.234	JBZOSDWBCXECDL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075763
Brc1ccccc1NC(=O)Cn1cc2CCCCCc2n1	CHEMBL1400652,PC-id_16195572,EMOLS-id_16087191,ChEMBL-DNDi_CHEMBL1400652,CoCoCo_2192256,MCULE-4580553644	348.238	UOXJLLIUANJKQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075764
c1(C(=O)Nc2ccc(c(Br)c2)C)c2CCCCCc2[nH]n1	MCULE-1158179062,EMOLS-id_335046131	348.238	ZCKIVWLLUAVOND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075765
c1(C(=O)Nc2ccc(cc2Br)C)c2CCCCCc2[nH]n1	EMOLS-id_335059956,MCULE-4917443456	348.238	XYKRPBDAWCIGLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075766
c1(C(=O)Nc2ccc(cc2C)Br)c2CCCCCc2[nH]n1	EMOLS-id_335035124,MCULE-1242976047	348.238	DHJOUFXSLZRNNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075767
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1Br)C	EMOLS-id_319361981	348.238	KYFIVMDHVLDNRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075768
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(c(c1)Br)C	EMOLS-id_319538955	348.238	NCAYKJAMVSXGIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075769
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1Br)C	MCULE-5195505512,EMOLS-id_320225510	348.238	AUJQNOWPSMHZHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075770
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1C)Br	EMOLS-id_318814756	348.238	YAGZFRWROYFNTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075771
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1C)Br	EMOLS-id_319958370,MCULE-7337680748	348.238	NWHXDFHLCXBTQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075772
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cc(C)ccc1Br	EMOLS-id_319051809	348.238	CQCIYUFUGYGCCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075773
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)cccc1Br	EMOLS-id_319975022,MCULE-8962720309	348.238	BTIIMGCEDFKFHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075774
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc(cc1)Br	EMOLS-id_318885399	348.238	VFKJVXXGSNEHHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075775
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1cccc(c1)Br	MCULE-6389134645,EMOLS-id_320250768	348.238	GOUSVRVHUXFCKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075776
CC[C@]1(CCC2=CN=NN2CCCC[C@@](CCC1=O)(C)C(=O)CN)C	PC-id_148905866	348.253	PHRAAEWHVFDFBF-RBUKOAKNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075777
CC[C@]1(CCCCN2C(=CN=N2)CC[C@@](CCC1=O)(C)C(=O)CN)C	PC-id_160626014	348.253	RHHPZHSFNABQEU-RBUKOAKNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075778
Brc1c2OC(CN(Cc2sc1)C(=O)OC(C)(C)C)C	SCHEMBL9902442,PC-id_67958981	348.256	PWBKTMRWXFHOEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075779
CCC(C1=NN=C2N1CCCCC2)NC(=O)N3CCCNC(C3)(C)C	PC-id_154787807,EMOLS-id_317725392,MCULE-3947964095	348.264	CACFLDWKVBMOOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075780
CCNC1CCCCc2c1cn(c2)Cc1ccc(cn1)Br	PC-id_104801389	348.281	XAWMINRIAGLMKA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-075781
CCNC1CCCCc2c1cn(c2)Cc1cncc(c1)Br	PC-id_104801391	348.281	XLWWTOJFQUTVHN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-075782
CCNC1CCCCc2c1cnn2Cc1ccc(cc1)Br	PC-id_107384483	348.281	AXTOYFNKCGOEDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075783
CCNC1CCCCc2c1cnn2Cc1cccc(c1)Br	PC-id_107384486	348.281	WUMWEKZLMVOYSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075784
CCNC1CCCCc2c1cnn2Cc1ccccc1Br	PC-id_107384489	348.281	FADBIVFRAATSNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075785
O=C(Nc1nnc(s1)C(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_101999589	348.308	GLPXABRWLFAXIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075786
O=c1[nH]c2-c(c1Nn1c(=O)c(c3-c1ccccc3)[N+](=O)[O-])ccccc2	PC-id_144080629	348.312	KNCYMHJVHKZWDP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-075787
FC(F)(F)Oc1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1	PC-id_27718520	348.322	ZMCMQCBIADOWBC-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075788
FC(F)(F)Oc1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1	PC-id_74537699	348.322	ZMCMQCBIADOWBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075789
FC(F)(F)Oc1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	CoCoCo_4395082,PC-id_17460543	348.322	HUUPVKKESYGBAI-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075790
FC(F)(F)Oc1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_72061647,MCULE-8845777193,EMOLS-id_26222843	348.322	HUUPVKKESYGBAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075791
N#C/C(=C/c1ccc(cc1)OC(F)(F)F)/c1nnc2n1CCCCC2	CoCoCo_4395083	348.322	HUUPVKKESYGBAI-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075792
O=C(N1CCCC1C(C(F)(F)F)O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165022	348.324	MGJUZNYMCTWVCN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075793
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1c[nH]c(c1)C(F)(F)F	EMOLS-id_319206203	348.344	UUYSRJCMAIDBKH-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-075794
O=C(Nc1c(F)cccc1F)CCC(=O)N1CCCc2c(C1)cco2	MCULE-3141592458,EMOLS-id_319986197	348.344	SPPFQSYXABWXJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075795
O(CC(=O)c1c2-c(c(c1)C(=O)OC)ccccc2)c1c(cccc1)C=O	PC-id_11142578	348.349	KPBQCVLKTDHKRI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-075796
COc1ccc(c(c1)OC)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14966010,PC-id_71569479	348.354	KDTXQDGFSWKSHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075797
C1CN(CCn2c1n[nH]c2=O)C(=O)c1noc(c1)CN1CCOCC1	PC-id_91922367	348.357	DQUWYECXLRNWLI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075798
COc1cc(C(=O)N2Cc3ncnn3C[C@H](C(=O)NC(C)C)C2)on1	ZINC22_1565548969	348.357	KFMOXDQRNXQMQM-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075799
COc1cc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)NC(C)C)C2)on1	ZINC22_1614931357	348.357	KFMOXDQRNXQMQM-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-075800
COc1cc(on1)C(=O)N1CC(Cn2ncnc2C1)C(=O)NC(C)C	EMOLS-id_313723353	348.357	KFMOXDQRNXQMQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075801
N#CC(=Cc1cccc2c1c(n[nH]2)C(=O)O)c1nnc2n1CCCCC2	EMOLS-id_177339248,MCULE-4703695935	348.359	VXVFGPCILVVOQQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-075802
CCC(NC(=O)N1CCCc2c(C1)cnn2C)COCC(F)(F)F	EMOLS-id_318367556	348.364	DMSPYAVDFSTMFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075803
COCC(C(F)(F)F)(NC(=O)N1Cc2cn[nH]c2CC(C1)(C)C)C	EMOLS-id_279112607	348.364	VYDKHAZENWVNKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075804
CC(C)(C)OC(=O)Nc1nc2c(CC(CCC2(F)F)C(=O)O)s1	EMOLS-id_329930736	348.366	WQEHSANLEVWSDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075805
CC1C=Cc2c(C=C1)nc(s2)COc1ccc(c(c1F)C(=O)N)F	PC-id_143542872	348.367	RYDNFWUEHOTFHB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-075806
Fc1ccc(c2ccc(Cc3[nH]c4c(c3)C(=O)CCNC4=O)cc2)cc1	PC-id_56970450	348.37	ZUUXAAIOFBHSHH-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-075807
CCOc1cc(F)ccc1NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_87006239	348.372	PTQVNEAYOAVGGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075808
COCc1nnc2CCC(CCn12)NC(=O)COc1ccc(F)cc1	MCULE-6374128851,EMOLS-id_50590325,PC-id_91922597	348.372	KXDNPSSFUBBOPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075809
COCc1nnc2CC(C)N(CCn12)C(=O)COc1ccc(F)cc1	EMOLS-id_313827111	348.372	VTZQPKIRPJGFDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075810
COCc1nnc2n1CCN(C(=O)COc1ccc(F)cc1)[C@H](C)C2	ZINC22_585098621	348.372	VTZQPKIRPJGFDH-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075811
COCc1nnc2n1CCN(C(=O)COc1ccc(F)cc1)[C@@H](C)C2	ZINC22_585098628	348.372	VTZQPKIRPJGFDH-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075812
COCCOc1ccc(cc1NC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_316499596	348.372	UELKSPTWUCVUBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075813
Fc1ccc(cc1)C(CNC(=O)Cn1nc2n(c1=O)CCCCC2)O	EMOLS-id_42862626,MCULE-5630314158,PC-id_72155604	348.372	XCVTXCHTACAXCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075814
O=C(Cn1nc2n(c1=O)CCCCC2)NCC(c1ccccc1F)O	PC-id_111565705	348.372	UJWNQBDUKKFSAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075815
O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@@H](O)c1ccc(F)cc1	PC-id_95765446,ZINC22_72278411	348.372	XCVTXCHTACAXCZ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075816
O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@H](O)c1ccc(F)cc1	ZINC22_72278412,PC-id_95765447	348.372	XCVTXCHTACAXCZ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075817
Fc1c(c2oc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cccc1	CoCoCo_3839201,PC-id_9187312	348.374	CDLILAXRAIRKDQ-WYMLVPIESA-N	00000000101000110101100000000010000000000000000000000000	31-01-075818
Fc1c(c2oc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cccc1	EMOLS-id_26195538,PC-id_72073352,MCULE-7955386060	348.374	CDLILAXRAIRKDQ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-075819
N#C/C(=C/c1ccc(o1)c1ccccc1F)/c1nnc2n1CCCCC2	CoCoCo_3839202	348.374	CDLILAXRAIRKDQ-OWBHPGMISA-N	00000000101000110101100000000010000000000000000000000000	31-01-075820
O=S(=O)(Cc1cc(c2ccco2)on1)c1nnc2n1CCCCC2	MCULE-1894111170,EMOLS-id_189666673,ZINC22_192917658	348.377	POUKGOXPOKMYED-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-075821
O=C(CNC(=O)c1cc2c(s1)CCCCCC2)NCC(F)(F)F	PC-id_52253097,ZINC22_47179940,EMOLS-id_36638605,MCULE-9112043357	348.384	PKGNXWCRWGLLLG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-075822
N#Cc1c(/N=Cc2ccccc2C(F)(F)F)sc2c1CCCCC2	CoCoCo_3631786	348.385	MQZJENSTJSLXPX-KSEXSDGBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075823
N#Cc1c(N=Cc2ccccc2C(F)(F)F)sc2c1CCCCC2	PC-id_2347352,EMOLS-id_26151837,MCULE-7005093835	348.385	MQZJENSTJSLXPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075824
N#Cc1c(/N=C/c2ccccc2C(F)(F)F)sc2c1CCCCC2	ZINC22_3229246,CoCoCo_3631785,PC-id_9660890,CHEMBL4529717	348.385	MQZJENSTJSLXPX-FOKLQQMPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075825
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCCc2occc2C1	ZINC22_344294304	348.387	UAWCXKKNWNHXQD-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075826
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCCc2occc2C1	ZINC22_344294305	348.387	UAWCXKKNWNHXQD-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075827
COCCC1CN(Cc2cccn2C1)C(=O)c1cc(F)c(F)cc1C	EMOLS-id_313836839	348.387	KUPDWNQITUPHEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075828
COCC[C@@H]1CN(C(=O)c2cc(F)c(F)cc2C)Cc2cccn2C1	ZINC22_585095261	348.387	KUPDWNQITUPHEO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075829
COCC[C@H]1CN(C(=O)c2cc(F)c(F)cc2C)Cc2cccn2C1	ZINC22_585095262	348.387	KUPDWNQITUPHEO-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075830
O=C(N(C(c1ccc(c(c1)F)F)C)C)CN1CCCc2c(C1)cco2	EMOLS-id_177255305,MCULE-4143584422	348.387	UAWCXKKNWNHXQD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075831
CCc1nc2n(c1)CCN(CC2)C(=O)CNCc1ccc(c(c1)F)F	PC-id_143120695	348.39	LCQALMSBFRTLRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075832
Cn1ncc2c1CCCN(C(=O)N[C@@H](CC(F)F)c1ccccc1)C2	ZINC22_566085161	348.39	UUCKPCOOWJQHKL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075833
Cn1ncc2c1CCCN(C(=O)N[C@H](CC(F)F)c1ccccc1)C2	ZINC22_566085162	348.39	UUCKPCOOWJQHKL-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075834
FC(CC(c1ccccc1)NC(=O)N1CCCc2c(C1)cnn2C)F	MCULE-8421108668,EMOLS-id_99138554	348.39	UUCKPCOOWJQHKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075835
OC1CC(N(C1)Cc1nnc2n1CCCCC2)c1ccc(c(c1)F)F	MCULE-6258899326,EMOLS-id_316061750	348.39	SYRGZDOWTIDXGE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-075836
OC1CN(C(C1)c1cc(F)ccc1F)Cc1nnc2n1CCCCC2	MCULE-4788423201,EMOLS-id_53769050	348.39	GGDJMGQQGBZPHS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-075837
O=C(CCc1ccc(c(c1)F)F)NCCc1nnc2n1CCCCC2	PC-id_86930261	348.39	NEYJFNQVJRTZCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075838
O[C@H]1C[C@@H](c2ccc(F)c(F)c2)N(Cc2nnc3n2CCCCC3)C1	ZINC22_574224599	348.39	SYRGZDOWTIDXGE-BBRMVZONSA-N	00000010100000110101100000000010000000000000000000000000	31-01-075839
O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(Cc2nnc3n2CCCCC3)C1	ZINC22_574224602	348.39	SYRGZDOWTIDXGE-CJNGLKHVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-075840
O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(Cc2nnc3n2CCCCC3)C1	ZINC22_574224604	348.39	SYRGZDOWTIDXGE-CZUORRHYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-075841
O[C@H]1C[C@H](c2ccc(F)c(F)c2)N(Cc2nnc3n2CCCCC3)C1	ZINC22_574224606	348.39	SYRGZDOWTIDXGE-XJKSGUPXSA-N	00000010100000110101100000000010000000000000000000000000	31-01-075842
O[C@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2nnc3n2CCCCC3)C1	PC-id_100657433,ZINC22_225501616	348.39	GGDJMGQQGBZPHS-BBRMVZONSA-N	00000010100000110101100000000010000000000000000000000000	31-01-075843
O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2nnc3n2CCCCC3)C1	ZINC22_225501650,PC-id_100657449	348.39	GGDJMGQQGBZPHS-CJNGLKHVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-075844
O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2nnc3n2CCCCC3)C1	ZINC22_253394504	348.39	GGDJMGQQGBZPHS-CZUORRHYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-075845
O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2nnc3n2CCCCC3)C1	ZINC22_253394517	348.39	GGDJMGQQGBZPHS-XJKSGUPXSA-N	00000010100000110101100000000010000000000000000000000000	31-01-075846
O(CC(=O)c1c2-c(c(c1)CC)ccccc2)c1c(cccc1OC)C=O	PC-id_10904179	348.392	VTSSVFDVVBDSHE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-075847
O(CC(=O)c1c2-c(c(c1)CC)ccccc2)c1c(ccc(OC)c1)C=O	PC-id_10915021	348.392	RXCWFSKRUPBRCQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-075848
O(CC(=O)c1c2-c(c(c1)CC)ccccc2)c1c(cc(OC)cc1)C=O	PC-id_11121598	348.392	ZLLBTXJIIDYMHH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-075849
s1c2CCCCCCc2cc1C(=O)Nc1cc([N+](=O)[O-])ccc1F	PC-id_60486261	348.392	HJPIIZAEFVEXBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075850
CN=C(NCc1nnc2n1CCCCC2)NCc1cc(F)ccc1F	PC-id_111902089	348.394	YLBGZTATUBMJSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075851
Fc1ccc(c(c1)F)N1CCC(CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102028259	348.394	RZGCLGQFRXETJM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-075852
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1c[nH]c2c1c(F)ccc2	EMOLS-id_320093441,MCULE-1508946740	348.395	WULPMVZHCPVEQC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-075853
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1c[nH]c2c1c(F)ccc2	EMOLS-id_101950791	348.395	HMMUWSVEWFIFDU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-075854
COc1ccc(cc1NC(=O)Cc1ccc2-c1ccccc2)C(=O)NC	PC-id_139996502	348.395	CYNVXDVJXQWYOI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-075855
N#Cc1c2-c(n(c1=O)CCc1ccc(c(c1)O)O)cccc(c2)C(C)C	SCHEMBL9249971	348.395	XNMPPJFQHWJUHK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-075856
N#Cc1ccc(c(c1)CS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)F	EMOLS-id_319193572	348.395	DTVGCYYCLSFDSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075857
o1c2c(nc1COc1ccccc1)CCCN(Cc1ccccc1)C2=O	PC-id_71731019,SCHEMBL15246694	348.395	IITQBYHOGWMYBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075858
O=C(c1c2-c(c(c1)C(=O)OC)ccccc2)CNc1nc(cc(c1)C)C	PC-id_23247234	348.395	OMJNIQUSFRSPME-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-075859
O=C(c1ccccc1OCc1cccnc1)N1CCCc2occc2C1	EMOLS-id_177270835,MCULE-5697241408,ZINC22_585084147	348.395	NFWXSCBGLZQIFP-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-075860
O=C(c1nc2c(n1O)CCCCC2)c1ccc(cc1)Oc1ccccc1	ChEMBL-DNDi_CHEMBL6970-0019,PC-id_4890711,CoCoCo_1879473	348.395	CHOGZMQRYZRCEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075861
C1CC(C1)C(c1nn2CCCN(Cc2c1)C(=O)CN1CCOC1=O)O	PC-id_91783718	348.397	JSIYKRYKOUFKAP-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-075862
c1(C(=O)N2CCCC2)cc2n(CCCN(C(=O)CCC(=O)OC)C2)n1	EMOLS-id_32414906,ZINC22_65453564,MCULE-5987803499,PC-id_50972856	348.397	MBGODHYWLGUZDM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075863
Cc1ccc(o1)C(CNC(=O)Cn1nc2n(c1=O)CCCCC2)(O)C	PC-id_111481607	348.397	QYLOPHLJEBOTTN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-075864
Cc1noc(C)c1CCC(=O)N1CCCn2nc(cc2C1)C(O)CO	EMOLS-id_55663259,PC-id_91781179,MCULE-8527480911	348.397	CRRGHSGNINMJSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075865
CC(CC(c1ccco1)O)NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_112284918	348.397	FQKMIFAIPXKAOH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-075866
CCOC(c1noc(n1)CN(C(=O)c1noc2c1CCCCC2)C)C	EMOLS-id_100111752	348.397	OQENKGDYBXQWNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075867
COCCn1nc2CCC(CC(=O)NCc3ccco3)CCn2c1=O	MCULE-7791172729,EMOLS-id_207877343	348.397	RFYIYZZNNGPCTR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-075868
COCCNC(=O)c1cnn2c1CN(C(=O)[C@@H]1[C@H]3COC[C@@H]13)CCC2	EMOLS-id_313739509,ZINC22_1565551080	348.397	MIGUXXKHKQSULR-NHAGDIPZSA-N	00100010100000000101010000000010000000000000000000000000	31-01-075869
OC[C@@H](c1cc2n(n1)CCCN(C2)C(=O)CCc1c(C)noc1C)O	PC-id_99977829	348.397	CRRGHSGNINMJSR-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075870
OC[C@H](c1cc2n(n1)CCCN(C2)C(=O)CCc1c(C)noc1C)O	PC-id_99977832	348.397	CRRGHSGNINMJSR-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075871
O=C(N1CCCn2c(C1)cc(n2)[C@H](C1CCC1)O)CN1CCOC1=O	PC-id_100098225	348.397	JSIYKRYKOUFKAP-INIZCTEOSA-N	00001010100000000101000000000010000000000000000000000000	31-01-075872
O=C(N1CCCn2c(C1)cc(n2)[C@@H](C1CCC1)O)CN1CCOC1=O	PC-id_100098232	348.397	JSIYKRYKOUFKAP-MRXNPFEDSA-N	00001010100000000101000000000010000000000000000000000000	31-01-075873
c12CN(CCCn1nc(C#N)c2)C(=O)c1cccc(c1)C#CC(C)(C)O	MCULE-2198431248,ZINC22_1506414157,EMOLS-id_316271935	348.398	CUUGZZMWYLMRBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075874
C1CN(CCc2c1nc(o2)C(=O)Nc1ccccc1)Cc1ccccn1	PC-id_134809286	348.398	HKKRBTFHHOUAJP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075875
C1CN(CCc2c1nc(o2)C(=O)Nc1ccccc1)Cc1cnccc1	PC-id_134808600	348.398	UFOGVYBGYVXIKV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075876
Cc1ccc(cn1)C(=O)N1CC(Cn2cccc2C1)Oc1cccnc1	EMOLS-id_50014016	348.398	BNOXQVQRNNDRCX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075877
Cc1ccc(C(=O)N2Cc3cccn3C[C@H](Oc3cccnc3)C2)cn1	ZINC22_248052984	348.398	BNOXQVQRNNDRCX-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-075878
Cc1ccc(C(=O)N2Cc3cccn3C[C@@H](Oc3cccnc3)C2)cn1	ZINC22_248052987	348.398	BNOXQVQRNNDRCX-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075879
Cc1c(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)oc2c(C)cccc12	PC-id_94810603,ZINC22_58267277	348.398	INZRUZUGYPIKRY-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-075880
Cc1c(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)oc2c(C)cccc12	PC-id_94810604,ZINC22_58267278	348.398	INZRUZUGYPIKRY-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-075881
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cn1)Oc1ccccc1	EMOLS-id_319244716	348.398	HEMCBQKKEOKKOJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075882
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(nc1)Oc1ccccc1	MCULE-6471599521,EMOLS-id_319969458	348.398	DXYSLCZLSZCBIB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075883
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccnc(c1)Oc1ccccc1	EMOLS-id_319366804	348.398	QHTKRBJTMCHWIE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075884
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ncccc1Oc1ccccc1	EMOLS-id_319087796	348.398	IDUBWZDLDBUUSP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075885
Cc1cncc(c1)C(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751295	348.398	KPWNHNFELUEKJZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075886
Cc1cncc(C(=O)N2Cc3cccn3C[C@@H](Oc3ccccn3)C2)c1	ZINC22_575403994	348.398	KPWNHNFELUEKJZ-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075887
Cc1cncc(C(=O)N2Cc3cccn3C[C@H](Oc3ccccn3)C2)c1	ZINC22_575403995	348.398	KPWNHNFELUEKJZ-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075888
CN(C(=O)c1noc2c1CCCCC2)c1ccc(c2ccccc2)nn1	PC-id_136534272,ZINC22_129659338,EMOLS-id_316881492,MCULE-8735380989	348.398	SOPXVKVZLPBFHV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-075889
C(=O)(Nc1ccccc1Oc1ccccc1)N1CCCn2cncc2C1	MCULE-3778851569,PC-id_56906807,ZINC22_72154429,EMOLS-id_43150074	348.398	LJZXXUWDISPXMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075890
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)c1cccc(O)c1	ZINC22_2356148647,MCULE-4642027359,EMOLS-id_337791034	348.398	KCZSRHKOCKAZBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075891
N#CC(c1nnc2n1CCCCC2)C(=O)c1oc2c(c1C)cccc2C	EMOLS-id_32132237,MCULE-7118033620,PC-id_51099367	348.398	INZRUZUGYPIKRY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-075892
O=C(c1ccccc1)N1Cc2nccn2C[C@H](COc2cccnc2)C1	PC-id_97462427,ZINC22_96187979	348.398	NMQCUYFRPGUJRK-INIZCTEOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075893
O=C(c1ccccc1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	ZINC22_96187983,PC-id_97462430	348.398	NMQCUYFRPGUJRK-MRXNPFEDSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075894
O=C(c1cccnc1)N1Cc2cncn2CC[C@H]1COc1ccccc1	ZINC22_585097107	348.398	HNRPEOCASIITJC-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075895
O=C(c1cccnc1)N1Cc2cncn2CC[C@@H]1COc1ccccc1	ZINC22_585097114	348.398	HNRPEOCASIITJC-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075896
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)Oc1ccccc1	MCULE-2711807231,EMOLS-id_320292465	348.398	SBBNZJBUQYUSMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075897
O=C(c1ccncc1)N1Cc2cncn2CC[C@H]1COc1ccccc1	ZINC22_585097180	348.398	IGVNIZDABDTPEK-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075898
O=C(c1ccncc1)N1Cc2cncn2CC[C@@H]1COc1ccccc1	ZINC22_585097181	348.398	IGVNIZDABDTPEK-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075899
O=C(Cc1ccccn1)N1Cc2cccn2C[C@H](Oc2cccnc2)C1	ZINC22_247865945	348.398	OQDMBEXSGMYUEJ-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-075900
O=C(Cc1ccccn1)N1Cc2cccn2C[C@@H](Oc2cccnc2)C1	ZINC22_247865948	348.398	OQDMBEXSGMYUEJ-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075901
O=C(Cc1ccccn1)N1CC(Cn2cccc2C1)Oc1cccnc1	EMOLS-id_50020240	348.398	OQDMBEXSGMYUEJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-075902
O=C(N1Cc2cncn2CCC1COc1ccccc1)c1cccnc1	EMOLS-id_313817381	348.398	HNRPEOCASIITJC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075903
O=C(N1Cc2cncn2CCC1COc1ccccc1)c1ccncc1	EMOLS-id_313817637	348.398	IGVNIZDABDTPEK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075904
O=C(N1CC(COc2cccnc2)Cn2ccnc2C1)c1ccccc1	EMOLS-id_44325991	348.398	NMQCUYFRPGUJRK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075905
O=C(Nc1ccc(Oc2cccnc2)cc1)c1[nH]nc2c1CCCCC2	CoCoCo_476109,CoCoCo_476108,PC-id_46963875,ZINC22_12147287,MCULE-9698969930,SYN-15622274	348.398	QOCFOAKMZSHYTO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-075906
O=C(O)[C@@H]1CN(Cc2cccc(c3cccnc3)c2)Cc2ccnn2C1	ZINC22_1875294699	348.398	UOPCKSBTQYFVTB-GOSISDBHSA-N	00000000100000111101100000000010000000000000000000000000	31-01-075907
O=C(O)[C@H]1CN(Cc2cccc(c3cccnc3)c2)Cc2ccnn2C1	ZINC22_1875294701	348.398	UOPCKSBTQYFVTB-SFHVURJKSA-N	00000000100000111101100000000010000000000000000000000000	31-01-075908
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1ccc(cc1)C#N	PC-id_90625668	348.4	JKGDGLXUARKFSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075909
c1ccc(nc1)N(c1cc2-c(n1)ccccc2)c1cc2-c(n1)ccccc2	PC-id_101475017	348.4	ZLOHSIAFYPGJTJ-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-075910
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)NCCOC)C2)n1	MCULE-2081291353,EMOLS-id_55608492,PC-id_91762014	348.4	UCJPBLXFYVOCFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075911
Cc1nc2c(s1)N(CCCC2)C(=O)c1ccc(cc1)P(=O)(C)C	EMOLS-id_319135308	348.4	CAHLDKZQWSZNQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075912
CC(C)c1nnc2CCN(CCn12)C(=O)CC1N(C)C(=O)N(C)C1=O	EMOLS-id_44717478,MCULE-5350109850,PC-id_70737237	348.4	FELXUBZHXBXYRY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075913
CC(C)c1nnc2n1CCN(C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C)CC2	PC-id_97127210,ZINC22_91602579	348.4	FELXUBZHXBXYRY-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075914
CC(C)c1nnc2n1CCN(C(=O)C[C@H]1C(=O)N(C)C(=O)N1C)CC2	PC-id_97127211,ZINC22_91602583	348.4	FELXUBZHXBXYRY-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-075915
CN(C)C(=O)NCc1nnc2CN(CCCn12)C(=O)[C@@H]1[C@H]2COC[C@@H]12	ZINC22_1565547549,EMOLS-id_313733077	348.4	KIEGXQHALZILMZ-YABSGUDNSA-N	00100010100000000101010000000010000000000000000000000000	31-01-075916
COc1cc(C(=O)N2CCCn3c(nnc3CN(C)C(C)C)C2)on1	EMOLS-id_313730515,ZINC22_1146934301	348.4	DJWCJRIVHOCBHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075917
COCCNC(=O)N1CCCn2c(C1)cc(n2)[C@H](c1ccnn1C)O	PC-id_100011644	348.4	UCJPBLXFYVOCFS-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075918
COCCNC(=O)N1CCCn2c(C1)cc(n2)[C@@H](c1ccnn1C)O	PC-id_100011648	348.4	UCJPBLXFYVOCFS-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075919
O=C1NC(=O)NC(C1CCC(=O)NCc1n2CCCCCc2nn1)C	PC-id_75133180	348.4	JCSXXPZXRNYGDY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075920
O=C(NC1CCC(=O)N(C1=O)C)NCCc1nnc2n1CCCCC2	EMOLS-id_102193048	348.4	QWTUNBRSEOFGSV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-075921
O=C(NCCc1nnc2n1CCCCC2)NCCN1C(=O)CCC1=O	EMOLS-id_99124674	348.4	FMSRYRIJNUDTIE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-075922
c1(C(=O)Nc2cccc(c2)c2ccnc(C)n2)cn2c(CCNCC2)n1	MCULE-4426996716,ZINC22_1857721468,EMOLS-id_330455836	348.402	QDWCFBZAQXKQPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-075923
Cc1ccnc(n1)c1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-2518657010,EMOLS-id_320078988	348.402	MXUSRLUSVGHCBE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-075924
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)Nc1cnccn1	EMOLS-id_320027779,MCULE-7049511872	348.402	ZTBYALJBLOBTCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075925
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)Nc1ncccn1	EMOLS-id_319632729	348.402	OZYHKKTTYPRKRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075926
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)c1ccncn1	PC-id_56716016,MCULE-3770894898,EMOLS-id_36452331,ZINC22_67805092	348.402	BUKHKMCVELEPQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075927
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)c1cnccn1	EMOLS-id_337652969,MCULE-2829335208,ZINC22_2100554854	348.402	CTFPIOJMFACMKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075928
O=C(C1CCn2c(CC1)nnc2)NCc1cccc(n1)c1ccccn1	EMOLS-id_319545474	348.402	PTWDOTGOAGUEQU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-075929
O=C(C1CCn2c(CC1)nnn2)Nc1ccc(c(c1)C)c1cccnc1	EMOLS-id_318944712	348.402	NBBNWUVMIJIOAX-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-075930
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)c1cnc(nc1)c1ccccn1	EMOLS-id_319524295	348.402	NRHJYGFJXXAMFV-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-075931
CN(C)CCOCc1nnn2c1CN(C(=O)c1ncn(C)n1)CCC2	ZINC22_585110545	348.403	YGRNROQKHPZJCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075932
C=CCCNC1=c2c(=CC=CC=C1)[nH]cc2C(=O)c1cccc(c1F)C	PC-id_144752253	348.413	CXJJEBMIZVNZMA-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-075933
FC1(CCC1)C(=O)N1CCc2ncc(CNC(=O)CC3CC3)n2CC1	EMOLS-id_313780937,ZINC22_585110655	348.415	VGFYDVQZHKEVOX-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-075934
FC1(CCC1)C(=O)N1CCCn2cnc(C(=O)NC3CCCC3)c2C1	EMOLS-id_313786685,ZINC22_1565554286	348.415	MWVIODZTCVVIKF-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-075935
c1(NC(=O)c2c(C)c(on2)C)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_8865408,TIMTEC536828,CoCoCo_6595823,MCULE-2538539946,PC-id_17026544,ZINC22_13641104	348.417	WWROQPYAXWHUSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075936
c1(NC(=O)c2c(C)noc2C)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_1070590,PC-id_17248991,EMOLS-id_14094602,TIMTEC102481,ZINC22_16603174,MCULE-2644270350	348.417	CLYMVGMUFLDAMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075937
c1(NC(=O)c2cc(on2)C)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_1073167,EMOLS-id_12359757,ZINC22_9204241,TIMTEC531154,MCULE-8593476696,PC-id_16953704	348.417	WQFWJDCJKBRUPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075938
c1(NC(=O)c2cc(on2)C)sc2c(CCCCCC2)c1C(=O)OC	TIMTEC57554,MCULE-8236063512,PC-id_17174272,EMOLS-id_13332069,ZINC22_13327686,CoCoCo_1075358	348.417	APGUWQAVQFSVOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-075939
Cc1ccc(c(c1)C)S(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_112071964	348.417	KLEWCIDWTZNTIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075940
Cc1ccc(c(c1)S(=O)(=O)C)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_101440311	348.417	GULISHYDILQKAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075941
Cc1ccc(c(c1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_112072078	348.417	VPWRUIPPMMMJKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075942
Cc1cc(NC(=O)c2noc3c2CCCCC3)ccc1S(=O)(=O)C	PC-id_86817815,MCULE-9634672155,ZINC22_133405125,EMOLS-id_49968498	348.417	SLUHFRSWGGKTDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075943
CCS(=O)(=O)c1ccc(NC(=O)c2noc3c2CCCCC3)cc1	ZINC22_124667485,PC-id_99607238,EMOLS-id_53781051,MCULE-6607465415	348.417	CWBWQAMIHWEPRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075944
Cn1c(COC(=O)c2cc3c(s2)CCCCC3)cc(=O)n(C)c1=O	MCULE-6917840608,CoCoCo_4436555,EMOLS-id_19872148,PC-id_24576717,ZINC22_10498044	348.417	NTDOAVSCQQIUTR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-075945
COc1cc(cc(OC)c1O)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_323437111,MCULE-7465302718	348.417	VNBJWGIAKLFHSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075946
COC(=O)Cc1occc1C(=O)Nc1nc2c(s1)CCCCCC2	EMOLS-id_320303084,ZINC22_283090725,MCULE-1128809144,PC-id_138993920	348.417	RDFOAKOGKCSOBM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-075947
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1ccc(c(c1)C)C	EMOLS-id_112072147	348.417	FUQBFZNCTYCYEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075948
O=C(N1CCCc2c(C1)cco2)c1ccc(cc1)S(=O)(=O)N(C)C	EMOLS-id_99343483	348.417	OSDFLYNCYIKEMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075949
O=C(N1CCCc2c(C1)cco2)CNc1ccc(cc1)S(=O)(=O)C	EMOLS-id_319274046	348.417	HMIQZQBLIYKXFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075950
O=C(N1CCCc2c(C1)cco2)Nc1cccc(c1S(=O)(=O)C)C	EMOLS-id_101867304	348.417	XYJDVEBXIDGJEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-075951
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CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccccc1NS(=O)(=O)C	MCULE-1017602334,EMOLS-id_320121542	348.42	AEOMVICJIIWJNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075969
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(s1)C1(C)OCCO1	EMOLS-id_320274083,MCULE-9251123927	348.42	NRTHEMDSYOUXAR-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-075970
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_31870955,PC-id_25541786,ZINC22_12830056,MCULE-2693290720	348.42	GIPJKMUDAFXWCZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-075971
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CC(=O)c1cccc(S(=O)(=O)NCc2nnc3n2CCCCC3)c1	MCULE-6228734498,EMOLS-id_42932975,ZINC22_48439303,PC-id_72072835	348.42	YUZMDKALVUHNOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-075973
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COc1cccc(c1F)CCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318938907	348.435	FCGXRUNCHMXOMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076035
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O(CCCCc1c2-c(c(c1)C(=O)OC)ccccc2)Cc1ccccc1	PC-id_10020670	348.435	JIDNMNZSPOMPPZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-076037
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c12CN(CCCn1nc(CCC(=O)NC1CCCC1)c2)CC(=O)OC	ZINC22_82138731,MCULE-7796124328,EMOLS-id_44446365,PC-id_70770138	348.44	VOVVJRQVJPSFNI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076054
c12CN(CCCn1nc(CCC(=O)O)c2)CC(=O)N1CCCCCC1	ZINC22_72407767,MCULE-7978615644,PC-id_56887174,EMOLS-id_43077941	348.44	GKRISXLJFFTMRE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076055
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCN1CCCCC1	MCULE-1683375945,PC-id_56889020,EMOLS-id_43085559,ZINC22_72409927	348.44	KJJIVQUDWHJWSJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076056
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c1(C(=O)N2CCCC(OCCC)C2)cc2n(CCCN(C(=O)C)C2)n1	MCULE-4449303402,PC-id_50985271,EMOLS-id_232819775	348.44	KCWCFIXGCYBAQI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076062
c1(C(=O)N(CCC)C2CCCCCC2)cc2n(CC(CNC2=O)O)n1	PC-id_91842213,EMOLS-id_55698423,MCULE-4551987977	348.44	ULAJZWJIKJSRIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076063
c1(C(=O)N(C)CCC2CCCCO2)cc2n(CCCN(C(=O)C)C2)n1	MCULE-5930686508,PC-id_50952327,EMOLS-id_32376092	348.44	YPPOGFQYPXURGQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076064
CC1(CC(CC(C1)(C)C)NC(=O)c1nn2CC(CNC(=O)c2c1)O)C	PC-id_135090772	348.44	QUHOGTMGTWUBLO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076065
CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)[C@H]1CCOC1)CCC2	ZINC22_1565555374	348.44	ZHXRVJJMIOFNLP-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076066
CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)[C@@H]1CCOC1)CCC2	ZINC22_1614938316	348.44	ZHXRVJJMIOFNLP-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076067
CC(C)(C)CNC(=O)c1ncn2CCCN(Cc12)C(=O)C1CCOC1	EMOLS-id_313788728	348.44	ZHXRVJJMIOFNLP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076068
CC(C)CNC(=O)c1ncn2c1CN(C(=O)CC1(O)CCC1)CCC2	ZINC22_1565547853,EMOLS-id_313786684	348.44	ONWNLKZXJQQXEZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-076069
CC(=CCOC1COCCC1NC(=O)c1nnc2n1CCCCC2)C	PC-id_91787250	348.44	ASNLSEXTCZNMEN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076070
CC(=CCO[C@@H]1COCC[C@H]1NC(=O)c1nnc2n1CCCCC2)C	MCULE-9091290404,EMOLS-id_55680731	348.44	ASNLSEXTCZNMEN-HUUCEWRRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076071
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1n[nH]c2CCCCCc12	EMOLS-id_334765353,MCULE-6644183912	348.44	DIBGWUZDCBXJAC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076072
CC[C@H](OC)C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2	ZINC22_77388832,PC-id_96385591	348.44	JEQXGEPLTZBKFU-INIZCTEOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-076073
CC[C@@H](OC)C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2	ZINC22_77388837,PC-id_96385593	348.44	JEQXGEPLTZBKFU-MRXNPFEDSA-N	00001000100000000101000000000010000000000000000000000000	31-01-076074
CCCN(C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)C1CCCCCC1	ZINC22_244840324	348.44	ULAJZWJIKJSRIB-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076075
CCCN(C(=O)c1cc2n(n1)C[C@H](O)CNC2=O)C1CCCCCC1	ZINC22_244840325	348.44	ULAJZWJIKJSRIB-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076076
CCCO[C@@H]1CCCN(C(=O)c2cc3n(n2)CCCN(C(=O)C)C3)C1	ZINC22_65534857	348.44	KCWCFIXGCYBAQI-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076077
CCCO[C@H]1CCCN(C(=O)c2cc3n(n2)CCCN(C(=O)C)C3)C1	ZINC22_65534861	348.44	KCWCFIXGCYBAQI-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076078
CCN(C)C(=O)c1cnn2c1CN(C(=O)CC1(OC)CCC1)CCC2	EMOLS-id_313766849,ZINC22_1565544965	348.44	AYWVTWYFTZIJJA-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-076079
CCN(C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2)CC	EMOLS-id_111825589	348.44	IOZHXVNAQPSBAC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076080
CCOC(=O)C1CCCN(C1)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_278918406	348.44	HMWUUNWJXICXKT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076081
CCOC(=O)N1CCC(CC1)NC(=O)Cn1cc2c(n1)CCCCC2	PC-id_5308521,ChEMBL-DNDi_CHEMBL1563148,CHEMBL1563148,CoCoCo_2192249	348.44	ITRBFGVNYFNNLI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076082
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CC(=O)N1CCCn2nc(C(=O)N(C)CC[C@H]3CCCCO3)cc2C1	ZINC22_65375422,PC-id_95121523	348.44	YPPOGFQYPXURGQ-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076084
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N#C/C(=C/c1ccccc1OC1CCCC1)/c1nnc2n1CCCCC2	PC-id_95172178	348.441	BAXJYKVNODCHOY-VKAVYKQESA-N	00000010100000110101000000000010000000000000000000000000	31-01-076115
Oc1cccc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c1	PC-id_121547550,ZINC22_185388134,EMOLS-id_75977167,MCULE-2062120424	348.441	MXUZTRGQRCMXAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076116
O[C@@H](c1nn2c(c1)CN(CCC2)CCc1ccccn1)c1ccccc1	PC-id_99996183	348.441	WUFYCTAWTVGDEP-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-076117
O[C@H](c1nn2c(c1)CN(CCC2)CCc1ccccn1)c1ccccc1	PC-id_99996186	348.441	WUFYCTAWTVGDEP-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-076118
c12CN(CCCn1nc(CN1CCNC(=O)C1)c2)C(=O)N(CC)CC	PC-id_56903008,ZINC22_72447137,MCULE-2739065171,EMOLS-id_232810333	348.443	GMYJSNZOCUGJDD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076119
c1(C(=O)NCCN(C)C)cc2n(CCCN(C(=O)[C@@H]3CCCN3)C2)n1	EMOLS-id_32428726,PC-id_50980190,MCULE-5108870435,ZINC22_65502592	348.443	UCBBTHQFEAGCCC-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076120
c1(C(=O)N[C@H]2COC[C@@H]2N2CCN(CC2)C)cn2c(CCNCC2)n1	ZINC22_1857712702,EMOLS-id_330386149,MCULE-5706296946	348.443	NDJBKDKPBDIDFF-GJZGRUSLSA-N	00000010100010000101100000000010000000000000000000000000	31-01-076121
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cnc2c(c1)scc2	EMOLS-id_320030624,MCULE-5314956684	348.443	HVXYMZKMIPCXHS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-076122
Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCCCC3)c(=O)s1	ZINC22_192457429,EMOLS-id_313152288,MCULE-2605066142	348.443	RIPASLQDZFICHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076123
CCC(c1nnc2n1CCCCC2)NC(=O)CNC(=O)N1CCCC1	EMOLS-id_278568227	348.443	XJBOBNDREOBWLX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076124
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CCC(=O)N(C1)C	EMOLS-id_100562175	348.443	DCSGVFXGOCSCQT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076125
CC(C)N1CCNC(=O)C1CC(=O)NCc1nnc2CCCCCn12	MCULE-8853843039,EMOLS-id_43130893,PC-id_56900273	348.443	PZQJEIYOHRNQBK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076126
CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCc1nnc2n1CCCCC2	PC-id_95725765,ZINC22_72164885	348.443	PZQJEIYOHRNQBK-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076127
CC(C)N1CCNC(=O)[C@H]1CC(=O)NCc1nnc2n1CCCCC2	ZINC22_72164886,PC-id_95725766	348.443	PZQJEIYOHRNQBK-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076128
CCC(=O)N1CCC(C1)NC(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_100145813	348.443	CYLGZSSTKNBJIX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076129
CCN(C(=O)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2)CC	EMOLS-id_320112091,MCULE-4122982873	348.443	GFTPLLXEBFYARI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076130
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cnc2c(c1)scc2	EMOLS-id_101948664	348.443	ZSEQMZPGOVNLIM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-076131
CN(C(=O)N1CCN(C(C1)(C)C)C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316700666	348.443	WIMUVHMNXUPQCO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076132
COC(=O)C1CCN(CC1)C(=NC)NCc1nnc2n1CCCCC2	PC-id_111253229	348.443	ADAQEQZHNZLHCT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076133
COC(=O)C1CN(CC1C)C(=NC)NCc1nnc2n1CCCCC2	PC-id_109630695	348.443	SZLKKZDUTSGANY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076134
Nc1cc2n(n1)CCCN(C2)C(=O)NC1CCCC(C1)C(=O)N(C)C	EMOLS-id_319127730	348.443	QABKKWRSWHCRSE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076135
Nc1cc2n(n1)CCCN(C2)C(=O)NCCCN1CCCCCC1=O	MCULE-8824570108,EMOLS-id_320019455	348.443	OSSWHQHUXMMZQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076136
N#Cc1ccc(cn1)S(=O)(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110210562	348.443	QOEJBDWNCXALSV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076137
O=C(C1CCCN1C(=O)CC(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102162655	348.443	LYGCGQZYIWPHAI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076138
O=C(c1cnc2n(c1=O)CCS2)Nc1nc2c(s1)CCCCC2	EMOLS-id_110529237	348.443	SDYLAHASAKKRPQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-076139
O=C(CC1(CCCC1)N1CCOCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102158368	348.443	UEJZZQAUYIBNMF-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-076140
O=C(CNC(=O)N1CCCC1)NCCCc1nnc2n1CCCCC2	EMOLS-id_278596130	348.443	VAUAVLIGERLGLL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076141
O[C@@H]1CCN(C[C@H]1C1CCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102107081	348.443	JBYGUJRSYYQGBG-NOYMGPGASA-N	00000010100010000101100000000010000000000000000000000000	31-01-076142
O=C(N1CCCC1)N1CCCn2nc(cc2C1)C(=O)NCCN(C)C	PC-id_50951836	348.443	OBBPXKIMQKSRDZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076143
O=C(N1CCC(CC1)OC1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102159073	348.443	WEOMHJZQHAKWHN-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-076144
O=C(N1CCCn2c(C1)cc(n2)N)NC(C(=O)N1CCCCC1C)C	EMOLS-id_318936096	348.443	UTHINSRJWHINJC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076145
O=C(N1CCCn2nc(cc2C1)C(=O)NCCN(C)C)C1NCCC1	PC-id_75594670	348.443	UCBBTHQFEAGCCC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076146
O=C(NCc1nnc2n1CCCCC2)NCCC(=O)NC1CCCC1	PC-id_86831300	348.443	DITJEOFKDJMTSK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076147
O=C(NC(CC(C)C)c1n2CCNCCc2nn1)C1NC(=O)CCC1	PC-id_76402738	348.443	MOXFFYJQPUPPPV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076148
O=C(NCCN1CCCCCC1=O)NCc1nnc2n1CCCCC2	EMOLS-id_35717616,ZINC22_65440899,PC-id_53505129,MCULE-1272475415	348.443	NRMGDYLPUIQMFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076149
c1(CN2CCCn3nc(C#N)cc3C2)nc2c(cccc2)n1CC(C)C	EMOLS-id_232873033,ZINC22_826805689,MCULE-4494698877	348.445	QJQPQWAUSQEWOR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-076150
Cc1cccc(CN2CCc3ncc(CNc4ccccn4)n3CC2)n1	EMOLS-id_44329139,ZINC22_96197108,PC-id_97467251	348.445	DFSSSZUMEKIUMW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076151
CCc1cnc(cc1)CN1CCc2nnc(n2CC1)Cc1cnccc1	PC-id_135104998	348.445	SJOSXQNEZTYAQF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076152
n12CCN(CCc1nnc2CCc1ccccc1)Cc1cccnc1N	ZINC22_67540631,EMOLS-id_36425244,PC-id_56703018,MCULE-4605855183	348.445	PIOTWEYCCXWOQD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-076153
c1(NC(=O)CSc2nnnn2C)sc2c(CCCCC2)c1C#N	CoCoCo_1043227,ZINC22_3433480,PC-id_2553093,EMOLS-id_2544354,TIMTEC448317,MCULE-2488615509	348.446	SHUZCIRTIOMNDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076154
Cc1cc(=O)n2nc(CSc3nnc4n3CCCCC4)sc2n1	EMOLS-id_17209866,CoCoCo_4173182,ZINC22_24971871,MCULE-1448012403,PC-id_24246913	348.446	KYLJOFKVRMEGCI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-076155
Cc1nnc(s1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135702790	348.446	MFMUEOPRDCJOBL-KHPPLWFESA-N	00000000100000000101000000000010000000000000000000000000	31-01-076156
s1c2CCCCCc2c(c1NC(=O)CSc1nc([nH]n1)N)C#N	PC-id_4004207	348.446	DZGYBVMMBUPYEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076157
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1sc(nn1)C	PC-id_84866000	348.446	YRNGVRNIVSPSSI-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-076158
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1sc(nn1)C	PC-id_8890250	348.446	YRNGVRNIVSPSSI-RAXLEYEMSA-N	00000011100000000111000000000010000000000000000000000000	31-01-076159
CC(C)(CC(=O)O)CC(=O)Nc1sc2c(c1C#N)CCCCCC2	PC-id_53537431,ZINC22_55150914,MCULE-9281342830,EMOLS-id_36643038	348.46	LDOVIFTWZZNWGI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076160
COCCC1CN(Cc2cccn2C1)S(=O)(=O)c1ccccc1C	EMOLS-id_313838632	348.46	UBHQHNHONXKPHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076161
COCCC1CN(Cc2cccn2C1)S(=O)(=O)c1ccc(C)cc1	EMOLS-id_313746102	348.46	IZSQTXOSHHAVDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076162
COCC[C@@H]1CN(S(=O)(=O)c2ccccc2C)Cc2cccn2C1	ZINC22_585095495	348.46	UBHQHNHONXKPHR-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076163
COCC[C@H]1CN(S(=O)(=O)c2ccccc2C)Cc2cccn2C1	ZINC22_585095496	348.46	UBHQHNHONXKPHR-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076164
COCC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2cccn2C1	ZINC22_585095236	348.46	IZSQTXOSHHAVDW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076165
COCC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)Cc2cccn2C1	ZINC22_585095239	348.46	IZSQTXOSHHAVDW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076166
COC(=O)c1c(NC(=O)N2CC3C2CCC3)sc2c1CCCCC2	EMOLS-id_110264133	348.46	BTVMPOYCZUVYFT-UHFFFAOYSA-N	00001010100000000100001000000010000000000000000000000000	31-01-076167
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@](C(C)C)(C)C#N	PC-id_2669532	348.46	KPCLQKKRSBNMHP-GOSISDBHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076168
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@@](C(C)C)(C)C#N	PC-id_2669533	348.46	KPCLQKKRSBNMHP-SFHVURJKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076169
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(C(C)C)(C)C#N	PC-id_78287981	348.46	KPCLQKKRSBNMHP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076170
s1c2c(CCCCC2)c(c1NC(=O)CC(CC)(CC)C(=O)O)C#N	PC-id_41389657	348.46	RDSFOIOSYUMCSF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076171
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCC(C)C)C#N	PC-id_24344178	348.46	HYSJKDLQGGKTLF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076172
s1c2CCCCCc2c(c1NC(=O)COC(=O)CC(C)(C)C)C#N	PC-id_41992890	348.46	FTQCKXNPRSKMML-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076173
s1c(C(=O)N2C[C@]3([C@H](CN(C3)C)C2)C(=O)O)cc2c1CCCCC2	PC-id_72858638	348.46	HLVKNWUQKALGIY-FZKQIMNGSA-N	00000010100000000100000000000110000000000000000000000000	31-01-076174
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(cc1)c1ccccc1	EMOLS-id_323485474,MCULE-4699744985	348.461	OKUZXBNZUJYCKF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076175
c12CN(CCCn1nc(CCC(=O)NCCO)c2)Cc1ccsc1	EMOLS-id_46074785,PC-id_72906286,ZINC22_91779245,MCULE-2546916722	348.463	BJPBCJVQAFKQRV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-076176
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1c(CC)nc(C)s1	EMOLS-id_43128533,ZINC22_72431613,MCULE-8581659090,PC-id_56899483	348.463	YZTMIGVFRNQLOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076177
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(C)s1	MCULE-1990850018,ZINC22_82098094,PC-id_70722349,EMOLS-id_44429665	348.463	ASJXFGWVTKPLIB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-076178
c12N(CCCCc1cc(C(=O)NCc1cn[nH]c1C)s2)CCOC	EMOLS-id_97030586,MCULE-3789242601	348.463	PIYCWLAYVXROIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076179
c1(C(=O)NC2CC2)cc2n(CCCN(C(=O)C(C)SCC=C)C2)n1	PC-id_50955723,MCULE-7542472125,EMOLS-id_32382554	348.463	BJFKNPOHHUWYRI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-076180
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(c(c1)N(C)C)C	EMOLS-id_318983737	348.463	DYWRLBCGMDRSEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076181
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)N(CCc1ccccc1)C	MCULE-5887001057,EMOLS-id_319876294	348.463	DGRCUQIVNCNVIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076182
Cc1ccc(c(c1)C)S(=O)(=O)NC(c1nnc2n1CCCCC2)C	PC-id_51074968,EMOLS-id_31867810,MCULE-1363685635	348.463	IMWIZFMVCCPMME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076183
Cc1ccccc1S(=O)(=O)N1Cc2ccnn2CC[C@H]1CN(C)C	ZINC22_585097101	348.463	HMMDYDNGOUYVBF-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076184
Cc1ccccc1S(=O)(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C	ZINC22_585097105	348.463	HMMDYDNGOUYVBF-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076185
Cc1c(C)c(C)c(c(c1S(=O)(=O)N1CCCn2c(C1)cnn2)C)C	EMOLS-id_319325066	348.463	CICKXNQHLWCUKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076186
Cc1cccc(S(=O)(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)c1	ZINC22_585098404	348.463	XPLMUVGLPISQNP-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076187
Cc1cccc(S(=O)(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)c1	ZINC22_585098405	348.463	XPLMUVGLPISQNP-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076188
Cc1cccc(S(=O)(=O)N2Cc3nccn3C[C@@H](CN(C)C)C2)c1	PC-id_97462690,ZINC22_96188247	348.463	FQNSKITUNGASSB-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076189
Cc1cccc(S(=O)(=O)N2Cc3nccn3C[C@H](CN(C)C)C2)c1	ZINC22_96188244,PC-id_97462687	348.463	FQNSKITUNGASSB-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076190
Cc1ccc(S(=O)(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)cc1	ZINC22_585097806	348.463	QOSRPTJKHUDOKP-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076191
Cc1ccc(S(=O)(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)cc1	ZINC22_585097807	348.463	QOSRPTJKHUDOKP-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076192
Cc1ccc(S(=O)(=O)N[C@H](C)c2nnc3n2CCCCC3)c(C)c1	PC-id_94173319,ZINC22_48250765	348.463	IMWIZFMVCCPMME-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076193
Cc1ccc(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCCC3)c(C)c1	ZINC22_48250762,PC-id_94173318	348.463	IMWIZFMVCCPMME-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076194
CC1CN(Cc2ccc(cc2)S(=O)(=O)N(C)C)Cc2c(C1)[nH]nc2	EMOLS-id_319855057,MCULE-2164435416	348.463	RBBICUFCQVMHDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076195
Cc1csc(CN2Cc3cccn3C[C@@H](OCC(=O)N(C)C)C2)n1	ZINC22_248043325	348.463	VVXGCMFQWASMJC-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076196
Cc1csc(CN2Cc3cccn3C[C@H](OCC(=O)N(C)C)C2)n1	ZINC22_248043330	348.463	VVXGCMFQWASMJC-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076197
CC(CCc1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_319662699	348.463	NTGANVCEBLLAAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076198
CC(C)(C)c1noc(CCC(=O)Nc2nc3c(s2)CCCCC3)n1	EMOLS-id_31924544,MCULE-2433638756,PC-id_38475379,ZINC22_31264676	348.463	XBXRVXKKGFWLLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076199
CC(C)N1Cc2ccnn2C[C@@H](CNS(=O)(=O)c2ccccc2)C1	ZINC22_247982383	348.463	HOFGWMWAALTFKN-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076200
CC(C)N1Cc2ccnn2C[C@H](CNS(=O)(=O)c2ccccc2)C1	ZINC22_247982384	348.463	HOFGWMWAALTFKN-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076201
CCCN1Cc2nccn2C[C@@H](CNS(=O)(=O)c2ccccc2)C1	PC-id_97463120,ZINC22_96188687	348.463	XSBBVWVQWKPOBF-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076202
CCCN1Cc2nccn2C[C@H](CNS(=O)(=O)c2ccccc2)C1	ZINC22_96188686,PC-id_97463119	348.463	XSBBVWVQWKPOBF-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076203
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c1(CN(C)C(=O)NCCc2csc(N)n2)c2CCCCCc2[nH]n1	MCULE-5185721604,EMOLS-id_177456563,PC-id_121506770,ZINC22_426555909	348.466	NTLCLRJELQZYCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076262
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Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2	CoCoCo_4074856,PC-id_8748850,ZINC22_7642022	348.466	LTTMEZPPDKMERP-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076268
Cc1snnc1C(=O)N1Cc2nccn2C[C@@H](CN(C)C(C)C)C1	ZINC22_585110696	348.466	VNFOFBFSPFNQPE-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076269
Cc1snnc1C(=O)N1Cc2nccn2C[C@H](CN(C)C(C)C)C1	ZINC22_585110697	348.466	VNFOFBFSPFNQPE-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076270
CCCc1cnc(s1)NC(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319729649	348.466	VDJLOAJXCMIAEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076271
CC(Cc1nsc(n1)NC(=O)N1Cc2cn[nH]c2CC(C1)(C)C)C	EMOLS-id_319892601,MCULE-9952752118	348.466	BZXWZYVUPWVVNH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076272
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CC1OC(C)CN(C1)C(C(=O)N1CCCc2c(C1)cnn2C)C(C)C	EMOLS-id_101670212	348.483	QUGNFLWKMJHQGG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076313
CCC(C1OCCC(C1)NC(=O)N1CCCc2c(C1)cnn2C)CC	EMOLS-id_101703239	348.483	VLODOAWNGFSWBK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076314
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CC(C)N1CCCn2nc(C(=O)N(C)CCC[C@@H]3CCCO3)cc2C1	ZINC22_65417672,PC-id_95130427	348.483	RRIFGSMTHSFNFJ-QGZVFWFLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076317
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CCN(CC)CC1CN(Cc2ccnn2C1)C(=O)COC1CCCC1	EMOLS-id_50376049	348.483	MJSSHOVIPHDDLK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076320
CCN(CC)C[C@H]1CN(C(=O)COC2CCCC2)Cc2ccnn2C1	ZINC22_248251705	348.483	MJSSHOVIPHDDLK-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076321
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COc1cc(SC)ccc1C(=O)Nc1nc2c(s1)CCCCC2	ZINC22_14554178,EMOLS-id_17215714,CoCoCo_4546077,MCULE-7696270654,PC-id_26157919	348.483	QEVXNCXOONTUBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076325
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CCC(c1nnc2n1CCCCC2)NC(=O)C1CN(C)CCN(C1)C	EMOLS-id_258068809,MCULE-5926215440	348.486	LCTWBLPSIOUZGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076369
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CC(C1(C=Cc2nc(cn2C=C1)CCl)C)I	SCHEMBL19827151,PC-id_134220575	348.61	DQCHTPCYHFWIED-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-076498
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Clc1ccc2c(c1)nc(s2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102017038	348.811	YTVCDLSSKGKREH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-076511
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)[O-])cccc1	PC-id_4104543	348.824	NIWLUIYEFZWWQH-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-076512
Clc1c(NC(=O)c2sc3CCCCCc3c2)cc(cc1)C(=O)[O-]	PC-id_41119772	348.824	QTIXDPLZGKQTHG-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-076513
Clc1c(OC2CCN(Cc3occc23)C)cccc1C(=O)N(C)C	PC-id_68423376	348.824	HXXPGCPMFONZNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076514
COc1ccc(Cl)cc1CNC(=O)CN1CCCc2occc2C1	MCULE-6476746684,EMOLS-id_177224403,ZINC22_585083925	348.824	GUYZBRCYRUECEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076515
COc1cc(Cl)c(cc1NC(=O)CN1CCCc2c(C1)cco2)C	MCULE-3715283928,EMOLS-id_316839880	348.824	IWKNXVKEKIDQKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076516
COC(c1ccccc1Cl)CNC(=O)c1noc2c1CCCCC2	MCULE-7743465841,PC-id_102562108,EMOLS-id_50354203	348.824	XDBASMGITGXNCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076517
CO[C@@H](CNC(=O)c1noc2c1CCCCC2)c1ccccc1Cl	PC-id_99702320,ZINC22_156254487	348.824	XDBASMGITGXNCJ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076518
CO[C@H](CNC(=O)c1noc2c1CCCCC2)c1ccccc1Cl	ZINC22_156254613,PC-id_99702321	348.824	XDBASMGITGXNCJ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076519
Cc1cc(C)c(NC(=O)Cn2nc3n(c2=O)CCCCC3)c(Cl)c1	PC-id_26064780,EMOLS-id_24050332,MCULE-7689847757,ZINC22_14372299,CoCoCo_4560115	348.827	MNKAOAOVLGRDFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076520
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CCCOc1ccc(cc1NC(=O)C1CCn2c(CC1)nnc2)Cl	EMOLS-id_316478347	348.827	KFBKGZFSVNEDAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076522
C[C@@H](C(=O)N(C)Cc1nnc2n1CCOCC2)c1ccc(Cl)cc1	ZINC22_1615546301	348.827	FZESWRMLYFATIC-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076523
C[C@H](C(=O)N(C)Cc1nnc2n1CCOCC2)c1ccc(Cl)cc1	ZINC22_1615546302	348.827	FZESWRMLYFATIC-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076524
CCn1nc2CCC(CCn2c1=O)C(=O)NCc1ccc(Cl)cc1	EMOLS-id_207876824,MCULE-9801391539	348.827	UKEDHHYULFINJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076525
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CC(Oc1ccccc1Cl)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319936699,MCULE-4586620533	348.827	TWUBJOLNBYNDNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076527
CC(Oc1ccc(c(c1)Cl)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316476827	348.827	SZVWUUULRIHXLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076528
CC(Oc1c(cccc1Cl)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316766729	348.827	OYMINWCZYLFIME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076529
Clc1ccc(cc1)C(C(=O)N(Cc1nnc2n1CCOCC2)C)C	EMOLS-id_320335555,MCULE-9372763343	348.827	FZESWRMLYFATIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076530
Clc1ccc(cc1)C(NC(=O)Cn1nc2n(c1=O)CCCCC2)C	EMOLS-id_318422066	348.827	NQVFLDSZMMSUAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076531
Clc1cccc(c1)OCCN(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319521976	348.827	GDPGPBFYVFIGLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076532
Clc1ccc(C[C@@H]2CCc3n(nnc3)COC[C@H](NC2=O)C)cc1	PC-id_71759990	348.827	FGJUPZKUMCYQMS-OCCSQVGLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076533
Clc1cc(C[C@H]2CCc3n(nnc3)COC[C@H](NC2=O)C)ccc1	PC-id_71759827	348.827	FXNGOKWXRNPNKR-TZMCWYRMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076534
Clc1cc(c(OCC(=O)NCc2n3CCCCCc3nn2)cc1)C	PC-id_51266237	348.827	FQIQPZOBANFAFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076535
Clc1ccc(OC(C(=O)NCc2n3CCCCCc3nn2)C)cc1	PC-id_51266246	348.827	ZNEARBDPLXVZBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076536
Clc1ccc(OCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51307451	348.827	DCAIYALNFKDRAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076537
Clc1cc(C(=O)NCCc2n3CCCCCc3nn2)c(OC)cc1	PC-id_51304472	348.827	UOGBRHPJPHBKCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076538
Clc1cc(OC(C(=O)NCc2n3CCCCCc3nn2)C)ccc1	PC-id_51266316	348.827	VOFPSFPLFGZKOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076539
CN(Cc1nnc2n1CCCCC2)C(=O)COc1ccc(Cl)cc1	EMOLS-id_24143144,CoCoCo_4453004,PC-id_25669844,MCULE-9964738149,ZINC22_13011205	348.827	WGNZRHQPFJVVRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076540
CN(C(=O)C1CCn2c(CC1)nnc2)CCOc1ccccc1Cl	EMOLS-id_320288263,MCULE-6941266707	348.827	BWDGAGKKSMVSMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076541
COc1ccc(cc1Cl)CN(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319457318	348.827	VUYOASFYSBOTQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076542
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COc1ccc(cc1NC(=O)CN1CC(C)Cc2c(C1)cn[nH]2)Cl	EMOLS-id_318805299	348.827	XEMFLZLAHBUDOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076545
COc1ccc(CC(=O)NC2CCc3nnc(C)n3CC2)cc1Cl	EMOLS-id_50590195,MCULE-7048613724,PC-id_91910727	348.827	GPVLHZDXUSRERW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076546
COc1ccc(Cl)cc1CC(=O)NCc1nnc2n1CCCCC2	PC-id_45799582,ZINC22_44890107,MCULE-9390318116,EMOLS-id_31859777	348.827	UQIIAIOMNWTXRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076547
COc1ccc(Cl)cc1C(=O)N(C)C1CCc2nnc(C)n2CC1	MCULE-6308290987,EMOLS-id_50590423,PC-id_91910784	348.827	YUCIJQDRJHESPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076548
COc1cc(Cl)c(cc1C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101851459	348.827	RBAXORZOSCUQAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076549
COc1cc(Cl)ccc1C(=O)N(C)C1CCc2nnc(C)n2CC1	PC-id_91922625,EMOLS-id_50590417,MCULE-7005517320	348.827	XEUGCLWBSNUWQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076550
COc1cc(Cl)c(cc1NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101961098	348.827	QDNPXCMWAHYYBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076551
COC(c1ccc(cc1)Cl)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316702922	348.827	LRYKTUAUYJFQOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076552
COCc1c(cccc1Cl)NC(=O)N1CCCc2c(C1)cnn2C	MCULE-7010930121,EMOLS-id_99137890	348.827	PJLXKJDVTLVHHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076553
COCC(c1ccc(cc1)Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316699820	348.827	UANJRFBTXDAUAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076554
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OCC(N(C(=O)C1CCn2c(CC1)nnc2)C)c1ccc(cc1)Cl	EMOLS-id_316595789	348.827	IFMZUYSUGLNPOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076556
C1Cc2n[nH]c(=O)n2CCC1NS(=O)(=O)c1ccc(s1)Cl	PC-id_91910813	348.829	AJVXGBDZCNWDTL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-076557
Cn1nc2CCN(CCn2c1=O)S(=O)(=O)c1ccc(Cl)s1	PC-id_91910637,MCULE-1707416415,EMOLS-id_50585919	348.829	QDFLFSSRESVLFY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-076558
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1cccnc1Cl	PC-id_72137226,EMOLS-id_42887412,MCULE-2582355787	348.831	YCDOEIQTQDLTBP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076559
CC[C@H](NC(=O)Nc1cccnc1Cl)c1nnc2n1CCCCC2	ZINC22_72277751,PC-id_95765172	348.831	YCDOEIQTQDLTBP-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-076560
CC[C@@H](NC(=O)Nc1cccnc1Cl)c1nnc2n1CCCCC2	ZINC22_72277752,PC-id_95765173	348.831	YCDOEIQTQDLTBP-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076561
CCNc1ncc(cc1Cl)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_319298625	348.831	DLRLKOOTDBXKIM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076562
Clc1ccc(c(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)N(C)C	EMOLS-id_319079403	348.831	ZMTGRRTWQUTQAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076563
CN(C(=O)Nc1cncc(c1C)Cl)Cc1nnc2n1CCCCC2	EMOLS-id_320311086,MCULE-5882709089	348.831	MJIMUPYOKGNIJM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076564
COc1ccc(cc1Cl)NC(=NCc1nnc2n1CCCCC2)N	PC-id_119117493	348.831	DFZBMJIDSRXMMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076565
Clc1ccc(C(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_16509451	348.844	AZHMDZAJLNCEQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076566
Clc1cc(C(=O)COC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_16509499	348.844	CVSUZIUBFXQXFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076567
Clc1c(C(=O)COC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_7351960	348.844	DHDVDLZPISAUIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076568
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)N	CoCoCo_5014619,ZINC22_35587,SCHEMBL8289853,MCULE-5579680218,SPECS-id_AK-968/37005225,PC-id_673520,EMOLS-id_1775294	348.847	ZNKCNUISNSHKGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076569
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)N	PC-id_3602997,SCHEMBL8289839,MCULE-1597965080,EMOLS-id_1770134,CoCoCo_5014620,ZINC22_4176848	348.847	QVLMPUDYBCHYAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076570
Clc1cc2CC(Oc2cc1)C(=O)Nc1sc2CCCCCc2n1	PC-id_45864715,EMOLS-id_29989131,MCULE-3022881516	348.847	LAOFNADDKNAGND-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-076571
Clc1ccc(N/N=C/2C(CCCc3sccc23)CC(=O)O)cc1	PC-id_10497960	348.847	SLIJTPLVWYHGIO-LVZFUZTISA-N	00000000100000110100000000000010000000000000000000000000	31-01-076572
Clc1ccc(NN=C2C(CCCc3sccc23)CC(=O)O)cc1	PC-id_85160686	348.847	SLIJTPLVWYHGIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076573
Clc1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_35929599	348.847	PSJSTGFNXKIHLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076574
N/C(=NOC(=O)c1cc2c(s1)CCCCC2)/c1cccc(Cl)c1	CoCoCo_4576454,ZINC22_14074963,CoCoCo_4576453,PC-id_17558148,EMOLS-id_26232379,GD-id_ZINC14074963	348.847	ZLIUWHNSJXRLFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076575
NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2	CoCoCo_5014622,PC-id_4577717,ZINC22_4176850	348.847	LXUWBPYUSXHLKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076576
O=C(Nc1nc2c(s1)CCCCC2)[C@H]1Cc2cc(Cl)ccc2O1	CoCoCo_4546220,PC-id_29859484,ZINC22_21902292	348.847	LAOFNADDKNAGND-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-076577
O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1Cc2cc(Cl)ccc2O1	CoCoCo_4546221,ZINC22_21902295,PC-id_29859485	348.847	LAOFNADDKNAGND-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-076578
CCC(c1cnn(c1)S)NC(=O)c1cc2=CC(=CCC=c2[nH]1)Cl	PC-id_144935916	348.85	LSCIKFVQIODBQP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-076579
Clc1cc(CC2CCCCCc3c2[nH]nc3C(OC)OC)ccc1	PC-id_59551056,SCHEMBL3540789	348.867	PEMQIDAKWDRBIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076580
CCC(c1nnc2n1CCCCC2)NCc1cc(Cl)ccc1OC	EMOLS-id_318006571	348.87	ADBVPSNFKSOSLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076581
CCCN(C(=O)CCC(c1nc2c([nH]1)C=C(CC=C2)Cl)NC=C)C	PC-id_142911553	348.87	CPVZPGHYSWJZGU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-076582
CCOc1ccc(Cl)cc1CN(C)Cc1cc2CNCCCn2n1	MCULE-2451621482,ZINC22_72158846,EMOLS-id_43154231,PC-id_56908198	348.87	PSZXNRMMUQEVQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076583
Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCCc2sccc2C1	ZINC22_592981612	348.89	ADEGNTCRFFDCRO-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076584
Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCCc2sccc2C1	ZINC22_592981619	348.89	ADEGNTCRFFDCRO-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076585
Clc1cc(CNC(=O)c2c3CCCCCCc3sc2N)ccc1	PC-id_54582555	348.89	JFCUCMUORBUIKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076586
O=C(C(N1CCCc2c(C1)ccs2)C)Nc1cccc(c1C)Cl	EMOLS-id_320333012,PC-id_145885105,MCULE-4590884365	348.89	ADEGNTCRFFDCRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076587
Clc1ccc(s1)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807948	348.892	AYDOUOZJZJEALF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-076588
Clc1sc(S(=O)(=O)N2CCCCc3sccc23)cc1N	SCHEMBL4111543,PC-id_23120197	348.892	BRGDEFQJFDEHIS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-076589
CC1(C=CC=C(C=C1)OC2CCCCN3C2=NC(=N3)Br)C	PC-id_153606626	349.079	CPAUGHFKCZYNGO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-076590
CCOC(=O)C1=C(C2=C(S1)CCNCC2)CC3=CC=C(C=C3)Cl	PC-id_153734686	349.09	WHKHHDQJBJHQRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076591
COC(c1c2-c(ccccc2)c(c1)/C=C
/c2c(ccc(c2)F)NC1=O)O	PC-id_163843912	349.111	OOLCWGYGPUMYMN-MFOYZWKCSA-N	00000010100000100110000000001010000000000000000000000000	31-01-076592
C[C@H]1CC(=Cc2c(C1)n(c(c2N=O)O)CC1=CC=C(CC1)Cl)NO	PC-id_163686166	349.119	VMVZOSJKRUNLGN-JTQLQIEISA-N	00000000100011000110000000000010000000000000000000000000	31-01-076593
COC1=CC(=CC(=C1OC)OC)CN2CCC3=C(CC2)SC(=N3)N	PC-id_161897181	349.146	DONASRMMKZHVOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076594
C[C@H]1CC2=C(CN(C1)S(=O)(=O)C3=CN(N=C3)C4CCCC4)C=NN2	PC-id_164636239	349.157	BYVYMNWGPFJTBE-LBPRGKRZSA-N	00000010100000000101100000000010000000000000000000000000	31-01-076595
C1CCCC2=C(CC1)C=C(S2)NC(=O)CC3(CCCCC3)C(=O)O	PC-id_164900198	349.171	FASPHTFYHYCIQQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-076596
Brc1cccc(c1)NC(=O)c1nn2c(c1)C(=O)NCCC2	PC-id_112707524	349.183	RSUPVTPNCARJPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076597
O=C(c1cc2n(n1)CCCNC2=O)Nc1ccc(cc1)Br	PC-id_112707547	349.183	CIISIFGNRPODGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076598
Clc1nc2-c(c1C#Cc1c(Cl)nc3-c1ccccc3)ccccc2	PC-id_102277017	349.213	KZAJWJYWZCUSBB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-076599
N#Cc1cc(Cl)c(c(c1)Cl)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319803104	349.215	JZLDSWNKBOIYLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076600
CC(=O)CN1C2=C(CCCCC2)C(=N1)C(=C)N3CCC(CC3)(CO)F	PC-id_153536465	349.217	AHXOFDSYLSDGPL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076601
Clc1cc(Cl)cc(c1)N=NC(C#N)c1nnc2CCCCCn12	PC-id_91899570,BindingDB-id_208171,BindingDB_PC-id_91899570	349.218	XIADXQCZHCDMQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076602
Clc1cc(NN=C(c2n3CCCCCc3nn2)C#N)cc(Cl)c1	CHEBI:113161,ChEMBL-DNDi_CHEMBL1429491,PC-id_5079148,MCULE-8877867782,EMOLS-id_44488535	349.218	KTRRUWMJMNXPMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076603
Clc1cc(N/N=C(c2n3CCCCCc3nn2)/C#N)cc(Cl)c1	CoCoCo_3692634,PC-id_6264584	349.218	KTRRUWMJMNXPMQ-MOSHPQCFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076604
N#C/C(=NNc1cc(Cl)cc(Cl)c1)/c1nnc2n1CCCCC2	ZINC22_5574526,PC-id_6391654,CoCoCo_3692633	349.218	KTRRUWMJMNXPMQ-DEDYPNTBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076605
Brc1cc2CN(CCCn2c1)C(=O)OCc1ccccc1	EMOLS-id_331252306	349.222	GQOQMBJSYIOPHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076606
BrC1CCCc2nn(cc2C1=O)Cc1ccc(OC)cc1	SCHEMBL6837143,PC-id_53387556	349.222	LSQFHAIPRLHMNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076607
c1(C(=O)Nc2ccc(cc2C)Br)c2CCCCCc2on1	EMOLS-id_21980659,MCULE-9083435875,ZINC22_20352544,PC-id_17254365,TIMTEC74091	349.222	BGIZFEROVUEFMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076608
Brc1ccc(c(c1)C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278110480	349.226	VHUPTKGCLHELOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076609
Brc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319300177	349.226	VTBQVHMXIDCRKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076610
Brc1ccc(cc1)N(C(=O)C1CCn2c(CC1)nnc2)C	MCULE-5205022012,EMOLS-id_258184840	349.226	KKRAEDXXQSMAAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076611
Brc1cc(CC(=O)N2CCCc3c(C2)c[nH]n3)nc(c1)C	EMOLS-id_319190846	349.226	FCORRVYEALTWTA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076612
Brc1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51185241	349.226	JEHLVSBSKKHHCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076613
Brc1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_51266219	349.226	YVMVHRGBSKNXPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076614
Brc1c(C(=O)NCc2n3CCCCCc3nn2)cccc1	PC-id_46447205	349.226	WWSCIIRBTZDSMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076615
Brc1cnccc1CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_320056572,MCULE-7526785993	349.226	PJUOSTRTMVOINQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076616
Brc1cncc(c1)CNC(=O)c1n[nH]c2c1CCCCC2	MCULE-6662068942,EMOLS-id_320198928	349.226	ABXGUMXYJBSIJX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076617
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1N)Br	EMOLS-id_319938183,MCULE-3989995632	349.226	ZTYHPOSXTCSFIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076618
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cncc(c1C)Br	EMOLS-id_319399269	349.226	IOICFUKSHSNBCD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076619
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nc(C)ccc1Br	EMOLS-id_320014437,MCULE-6581262948	349.226	PLEYFHXJELTOLL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076620
Cc1cncc(c1NC(=O)c1cnc2n1CCCCC2)Br	EMOLS-id_316528282	349.226	CUMFTRUUSXSLPT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076621
CCc1ccc(Br)cc1C(=O)N1CCCn2nncc2C1	EMOLS-id_316970420,ZINC22_829601556,MCULE-2170814601	349.226	MMBDJCBFQVJPTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076622
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1Br	EMOLS-id_101956565	349.226	MTQVFUVFNSGDTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076623
ICCNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_314306191,PC-id_104080717	349.231	RBUIBSLXTXOEDT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076624
Brc1cc(sc1)C=C(c1n2CCCCCc2nn1)C#N	PC-id_72084726,EMOLS-id_26092991,MCULE-7087534149	349.249	MWBXCAYRIWYTJS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-076625
Brc1cc(sc1)/C=C(c1n2CCCCCc2nn1)/C#N	PC-id_73673817,CoCoCo_3456477	349.249	MWBXCAYRIWYTJS-POHAHGRESA-N	00000000100100000101000000000010000000000000000000000000	31-01-076626
Brc1cc(sc1)/C=C(/c1n2CCCCCc2nn1)C#N	PC-id_8275426,CoCoCo_3456476	349.249	MWBXCAYRIWYTJS-UXBLZVDNSA-N	00000000100100000101000000000010000000000000000000000000	31-01-076627
Brc1c(Sc2n3CCCCCc3nn2)ccc(c1)C#N	PC-id_82800188	349.249	IQAIGPLHKYSAJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076628
Brc1sc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	CoCoCo_3456484,PC-id_6215149	349.249	QVRVNYSOWWYUSO-CSKARUKUSA-N	00000000100100000101000000000010000000000000000000000000	31-01-076629
Brc1sc(C=C(c2n3CCCCCc3nn2)C#N)cc1	MCULE-4698520748,PC-id_4822647,EMOLS-id_26092999	349.249	QVRVNYSOWWYUSO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-076630
Brc1sc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1	PC-id_73673822,CoCoCo_3456485	349.249	QVRVNYSOWWYUSO-NTMALXAHSA-N	00000000100100000101000000000010000000000000000000000000	31-01-076631
Brc1scc(/C=C(/c2n3CCCCCc3nn2)C#N)c1	CoCoCo_4770349,PC-id_25645349	349.249	ARYSBKFZPYSRGD-IZZDOVSWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-076632
Brc1scc(C=C(c2n3CCCCCc3nn2)C#N)c1	PC-id_72053753,EMOLS-id_26241380,MCULE-8878574272	349.249	ARYSBKFZPYSRGD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-076633
N#Cc1c(Br)cccc1Sc1nnc2n1CCCCC2	PC-id_114884168	349.249	SYGBVCYTNCOLQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076634
N#Cc1cc(Br)ccc1Sc1nnc2n1CCCCC2	PC-id_114893408	349.249	OSPAIZNWMDVTJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076635
N#Cc1ccc(cc1Br)Sc1nnc2n1CCCCC2	EMOLS-id_317937796,PC-id_107279713	349.249	WZCRANHLTCBKHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076636
N#Cc1cc(cc(c1)Br)Sc1nnc2n1CCCCC2	PC-id_102818349	349.249	PPSOEKDXPSRKDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076637
N#Cc1ccc(cc1Sc1nnc2n1CCCCC2)Br	PC-id_114904965	349.249	AWMQGSOZVIUFCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076638
N#C/C(=C/c1csc(c1)Br)/c1nnc2n1CCCCC2	CoCoCo_4770350	349.249	ARYSBKFZPYSRGD-WDZFZDKYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-076639
Brc1cc(Cn2cc3C(N)CCCCc3c2)ccc1OC	PC-id_83211517	349.265	YXRJXCILIJICFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076640
Brc1cc(Cn2cc3C(N)CCCCc3c2)c(OC)cc1	PC-id_83210211	349.265	GDVUQYFONYPRPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076641
Brc1ccc(OCCn2cc3C(N)CCCCc3c2)cc1	PC-id_83210210	349.265	BFPCSSWSIWDCOK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076642
Brc1c(Cn2cc3C(N)CCCCc3c2)cc(OC)cc1	PC-id_83211301	349.265	JVJIJGQRVKVYIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076643
Brc1cc(OCCn2cc3C(N)CCCCc3c2)ccc1	PC-id_83211516	349.265	FTISENBMBDKLCT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076644
BrCS(=O)(=O)Nc1sc2c(CCCCC2)c1C#N	PC-id_83084145,EMOLS-id_315006276	349.267	GVBYJKXVMKRJPQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076645
Brc1ccc(CNC(c2n3CCCCCc3nn2)C)cc1	PC-id_43426011	349.269	VFPYMYLMLXUYSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076646
Brc1cc(CNC(c2n3CCCCCc3nn2)C)ccc1	PC-id_43426018	349.269	JNRYTCJOOKULSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076647
Brc1c(CNC(c2n3CCCCCc3nn2)C)cccc1	PC-id_43426017	349.269	JAHJLXIGPXYOFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076648
CNCC1CCCCCc2c1sc(c2)CI	SCHEMBL18723533	349.274	ZOJRAUWXWLBPJI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076649
Clc1c(/C=N/c2sc3CCCCCc3c2C#N)c(Cl)ccc1	PC-id_17387601	349.277	HZCXRLHDSOKWKU-UFFVCSGVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076650
Clc1c(C=Nc2sc3CCCCCc3c2C#N)c(Cl)ccc1	PC-id_40605841,MCULE-5357161476	349.277	HZCXRLHDSOKWKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076651
Brc1ccc(CC(=O)c2sc3CCCCCc3c2)cc1	PC-id_63528032	349.285	QOTYAEYDIVEZGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076652
Brc1cc(CC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_63528734	349.285	FAYHXKAVVUGEOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076653
O=C(c1cc2c(s1)CCCCC2)Cc1ccccc1Br	PC-id_114962553	349.285	DMPPMTLTUDSMNO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076654
N#Cc1cc(cnc1C(F)(F)F)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678354	349.31	XSGDLPOMPBMVST-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076655
N#Cc1cc(cnc1C(F)(F)F)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319409480	349.31	FWJQIHXCEXAPIP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076656
BrC(c1sc2c(CCCCC2)c1)c1cc(c(cc1)C)C	PC-id_63435539	349.328	QFOPOXKCCFPUJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076657
BrC(c1sc2c(CCCCC2)c1)c1c(cc(cc1)C)C	PC-id_63438005	349.328	VUUAKJPNMVZQDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076658
BrC(c1sc2c(CCCCC2)c1)c1ccc(cc1)CC	PC-id_63440242	349.328	UGDWZMBYZAVGGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076659
BrC(c1sc2c(CCCCC2)c1)c1c(ccc(c1)C)C	PC-id_63442288	349.328	MGNLJIDWPWIXDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076660
BrC(c1sc2c(CCCCC2)c1)Cc1cc(ccc1)C	PC-id_63530584	349.328	FVVGPBBRSGDDII-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076661
BrC(c1sc2c(CCCCC2)c1)Cc1c(cccc1)C	PC-id_63543322	349.328	CMXFIMIYXADOCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076662
BrC(c1sc2c(CCCCC2)c1)Cc1ccc(cc1)C	PC-id_63544719	349.328	OMOXSUPBYWTCKD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-076663
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(cc1F)F	EMOLS-id_43057052,MCULE-9496731649,ZINC22_72422589,PC-id_56882027	349.332	STHMASKMLKYFCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076664
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(c(F)c1)F	MCULE-7956164574,EMOLS-id_43147784,PC-id_56906037,ZINC22_72457695	349.332	XILXEPUALCFVON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076665
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1c[nH]nc1C(F)(F)F	EMOLS-id_318790570	349.332	OVPQKAUBNWNVBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076666
CC1CN(Cc2c(C1)[nH]nc2)C(=O)Cc1ccc2c(c1)OC(O2)(F)F	EMOLS-id_319999932,MCULE-4277704727	349.332	ODTXZTWVTWAFCS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-076667
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1c[nH]nc1C(F)(F)F	MCULE-9137170887,EMOLS-id_316415304	349.332	HHFZRPVUHHJTMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076668
c12CN(CCCn1nc(CNC(=O)c1c(F)cc(cn1)F)c2)C(=O)C	EMOLS-id_44448699,ZINC22_82148531,MCULE-1133634369,PC-id_70776920	349.335	LRSBJJTYMLZQOG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076669
CC(=O)Nc1cc(F)c(cc1NC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_319192197	349.335	YWMVZSFNXKCMIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076670
n1c(C(CO)O)cc2CN(CCCn12)C(=O)Cn1ccc(=O)[nH]c1=O	MCULE-1738544514,EMOLS-id_55664593,PC-id_91781644	349.342	MGCBLFTULVFMLF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-076671
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cn1ccc(=O)[nH]c1=O)O	PC-id_99978216	349.342	MGCBLFTULVFMLF-LBPRGKRZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-076672
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cn1ccc(=O)[nH]c1=O)O	PC-id_99978219	349.342	MGCBLFTULVFMLF-GFCCVEGCSA-N	00000000100000100101000000000010000000000000000000000000	31-01-076673
N#Cc1ccc(O[C@H]2CN(C(=O)c3ccco3)Cc3ccnn3C2)nc1	ZINC22_247703680	349.343	BSCFZUQGVNABDU-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-076674
N#Cc1ccc(O[C@@H]2CN(C(=O)c3ccco3)Cc3ccnn3C2)nc1	ZINC22_247703681	349.343	BSCFZUQGVNABDU-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-076675
N#Cc1ccc(O[C@H]2CN(C(=O)c3ccoc3)Cc3ccnn3C2)nc1	ZINC22_247777303	349.343	XWHKOOGNMBLBTP-INIZCTEOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-076676
N#Cc1ccc(O[C@@H]2CN(C(=O)c3ccoc3)Cc3ccnn3C2)nc1	ZINC22_247777305	349.343	XWHKOOGNMBLBTP-MRXNPFEDSA-N	00000000101000101101000000000010000000000000000000000000	31-01-076677
O=C(N1CC(Cn2nccc2C1)Oc1ccc(cn1)C#N)c1ccco1	EMOLS-id_50376773	349.343	BSCFZUQGVNABDU-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-076678
O=C(N1CC(Cn2nccc2C1)Oc1ccc(cn1)C#N)c1ccoc1	EMOLS-id_50019352	349.343	XWHKOOGNMBLBTP-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-076679
C/C=CC=C(\n1[nH]c2c(c1=O)C=NC/C=CC(=C/C2)C(F)(F)F)/C=C	PC-id_145531913	349.35	IURGCIKOZUDUAM-OMLMEIARSA-N	00000000100000000111000000000010000000000000000000000000	31-01-076680
c1(NC(=O)c2ccc(N(=O)=O)o2)sc2c(CCCCC2)c1C(=O)N	ZINC22_2845541,PC-id_2200154,EMOLS-id_1491085,MCULE-8257598725,ChEMBL-DNDi_CHEMBL7723557,BAS-07004887,CoCoCo_359757	349.362	LLYIRMNTQDZPKG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-076681
c12C(=O)NCCCc1nc(NC(=O)CCn1ccc(=O)[nH]c1=O)s2	PC-id_72719968,EMOLS-id_48619016,MCULE-5957257970,ZINC22_96124381	349.365	ODGJOHAPDHTKSB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-076682
c1(NC(=O)C(F)(F)F)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_2443513,SCHEMBL4132719,ZINC22_4894645,SPECS-id_AK-968/12573240,MCULE-8284479139,ChEMBL-DNDi_CHEMBL7259976,TIMTEC149811,CoCoCo_902339,PC-id_2932352	349.369	FMUVDYOLQQSLTB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076683
O=C(c1sc2c(c1)CCCCCC2)NC(C(=O)O)CC(F)(F)F	PC-id_121642615	349.369	MGVKGEXSQADKPI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076684
O=C(NCCCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)C=CC=CC	PC-id_85664774	349.509	HHFXTQKMKFVQEB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-077411
O=C(COC(=O)c1cc2c(s1)CCCCCC2)NCC(F)(F)F	PC-id_7618262,ZINC22_5302189,EMOLS-id_33842579,MCULE-5930395921	349.369	IPVLXHGCIWRBRR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076685
O=C(N1CCOc2c(C1)scc2C(=C)C(F)(F)F)OC(C)(C)C	SCHEMBL9903300,PC-id_67959218	349.369	IJLIEVAWGDTKGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076686
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)F)C(=O)OCCC	PC-id_4091507	349.369	VKBZKEVUVWTDDU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076687
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)F)C(=O)OC(C)C	PC-id_5007016	349.369	GFHNWXQHJAUFLY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-076688
c1(c(F)cc(cc1F)OC)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_55688241,ZINC22_223109822,PC-id_91789814,MCULE-2348090862	349.375	HDCXGGPSBXVNNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076689
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1cccc(c1)OC(F)F	EMOLS-id_319513275	349.375	SLGYGYHBQMVVPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076690
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCCOc1ccc(cc1F)F	EMOLS-id_319764480	349.375	UPSMXSPMQDPIDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076691
CC(O)c1cc2CN(CCCn2n1)C(=O)CCc1ccc(F)cc1F	MCULE-4025281434,PC-id_90648037,EMOLS-id_50528359	349.375	ZWIFPGVVYARXKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076692
CC(OCc1ncn2c1CN(CCC2)C(=O)c1cc(F)cc(c1)F)C	PC-id_97405864	349.375	HMBWJDPABCGHNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076693
COC(=O)c1ccc(cc1)CC1CCCCc2c(C1(F)F)nnn2C	PC-id_118287964,SCHEMBL16984317	349.375	BUGKVOFLSFYILB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076694
Fc1ccc(c(c1)F)CCC(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_100024164	349.375	ZWIFPGVVYARXKR-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076695
Fc1ccc(c(c1)F)CCC(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_100024166	349.375	ZWIFPGVVYARXKR-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076696
O=C1N(CCCn2c1cc(n2)COC1=CC=CCC1)CC1CC1(F)F	PC-id_145688037	349.375	TURCPPHBOXGUBU-UHFFFAOYSA-N	00100000100011000101000000000010000000000000000000000000	31-01-076697
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(nc2n1CCCC2)C(F)F	EMOLS-id_318841864	349.378	HPHLSTQNTUVKSY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-076698
CCC(c1ccccc1NC(=O)N1CCCn2c(C1)cc(n2)N)(F)F	MCULE-4939007631,EMOLS-id_320218756	349.378	SUYKADSOQKXMTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076699
C[C@H](NC(=O)NCc1nnc2n1CCCCC2)c1cc(F)ccc1F	PC-id_93844493,ZINC22_42322130	349.378	MBMQSWYYCGBVNM-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-076700
C[C@@H](NC(=O)NCc1nnc2n1CCCCC2)c1cc(F)ccc1F	ZINC22_42322132,PC-id_93844494	349.378	MBMQSWYYCGBVNM-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076701
CN(Cc1ccc(F)cc1F)C(=O)NCc1nnc2n1CCCCC2	ZINC22_45570743,EMOLS-id_317751184,MCULE-6724669586	349.378	DFPGGYJVWLMAHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076702
CN(C(=O)Nc1ccc(c(c1C)F)F)Cc1nnc2n1CCCCC2	EMOLS-id_319409635	349.378	RYQVCZYEFJGLQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076703
Fc1c(C[C@@H](N)CC(=O)N2CCCn3c(nnc3C)C2)cc(F)cc1	PC-id_11233368,SCHEMBL3845530	349.378	AQOKGBZOYPPJFW-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076704
Fc1c(C[C@@H](N)CC(=O)N2CCn3c(nnc3C)CC2)cc(F)cc1	SCHEMBL3839078,PC-id_11291015	349.378	MHDJOSYRUMXLFE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076705
Fc1c(CC(N)CC(=O)N2CCCn3c(nnc3C)C2)cc(F)cc1	PC-id_72762022	349.378	AQOKGBZOYPPJFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076706
Fc1c(CC(N)CC(=O)N2CCn3c(nnc3C)CC2)cc(F)cc1	PC-id_72786228	349.378	MHDJOSYRUMXLFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076707
Fc1c(C(NC(=O)NCc2n3CCCCCc3nn2)C)cc(F)cc1	PC-id_45818330,EMOLS-id_31933100,MCULE-3062908747	349.378	MBMQSWYYCGBVNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076708
FCS(=O)(=O)On1cc2c(n1)CCN(CC2)C(=O)OC(C)(C)C	PC-id_141114068	349.378	TZSOASMZKYPFOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076709
O=C(c1ccnn1C1CC1(F)F)N1Cc2cnn(c2CC(C1)(C)C)C	MCULE-6886575589,EMOLS-id_320252628	349.378	HRFXBSVLBNJZDM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-076710
O=C(N1CCCc2c(C1)cnn2C)Cn1nc(cc1C1CC1)C(F)F	EMOLS-id_316690698	349.378	GQMKGKCVKKBELG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-076711
CCOC(=O)c1c2-c(ccccc2)c(c1O)C=Nc1ccc(cc1)OC	PC-id_136814863	349.38	OOVWDUWDRWQOAY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-076712
COc1ccc(cc1)NCC(=O)c1cc(c2-c1ccccc2)C(=O)OC	PC-id_101134821	349.38	QVIDIYRLRYOJML-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-076713
CO/C(=Cc1ccc(cc1)OCCn1ccc2c1C=CC#CC2)/C(=O)O	PC-id_143199756	349.38	YCEIYLSRSFIFHJ-HKWRFOASSA-N	00000000100000110110000000000010000000000000000000000000	31-01-076714
OC(=O)CCCOc1ccccc1NC(=O)c1ccc2-c1ccccc2	PC-id_139818325	349.38	DTAXABHVKKYVAT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-076715
C1CC1(c1cc(c(cc1)O)O)C(=O)NC1=CC=c2c(=CC1)[nH]cc2C=N	PC-id_137306125,SCHEMBL20194960	349.383	GSHHZFSVNKLCJN-UHFFFAOYSA-N	00100000100000110110100000000010000000000000000000000000	31-01-076716
O=C(c1c2-c(c(c1)C(=O)OC)ccccc2)CNc1nc(cc(n1)C)C	PC-id_12025081	349.383	YOYYHLFCNDEWNW-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-076717
O(C(=O)c1c2-c(nc1Nc1c(NC(=O)C)cccc1)ccccc2)CC	PC-id_14642941	349.383	IRKUPHZHHQORSQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-076718
c1(cc2n(CCCN(C)C2)n1)C(=O)N1CCNC(=O)C1CC(=O)OC	PC-id_50967557,EMOLS-id_32404936,MCULE-9933795735	349.385	DSGUPNHGSFTODM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076719
Cc1cc(=O)n(CCN2CCCn3nc(cc3C2)C(O)CO)c(=O)[nH]1	PC-id_91766592,EMOLS-id_55621332,MCULE-1368192667	349.385	JNKRTBQWKKNMHQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-076720
Cn1c(=O)c(c[nH]c1=O)CCN1CCCn2c(cc(n2)C(CO)O)C1	PC-id_91775490	349.385	ADHKJUCATFFIIM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-076721
COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc2n(n1)CCCN(C)C2	ZINC22_65417262,PC-id_95130285	349.385	DSGUPNHGSFTODM-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076722
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc2n(n1)CCCN(C)C2	ZINC22_65417263,PC-id_95130286	349.385	DSGUPNHGSFTODM-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076723
o1nc2n(C(C(CCCC(N)C(=O)O)c3[nH]ccn3)CCCC2)c1=O	SCHEMBL6792203,PC-id_23500519	349.385	WGWZJAIAHMNFKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076724
Ic1c(c2-c(c1)ccccc2)C(=O)C(F)(F)F	PC-id_85856836	350.075	WFZDWQXUCSHVAG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-077535
OC[C@@H](c1cc2n(n1)CCCN(C2)CCn1c(=O)cc([nH]c1=O)C)O	PC-id_99973018	349.385	JNKRTBQWKKNMHQ-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-076725
OC[C@H](c1cc2n(n1)CCCN(C2)CCn1c(=O)cc([nH]c1=O)C)O	PC-id_99973019	349.385	JNKRTBQWKKNMHQ-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-076726
OC[C@@H](c1nn2c(c1)CN(CCC2)CCc1c[nH]c(=O)n(c1=O)C)O	PC-id_99974401	349.385	ADHKJUCATFFIIM-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-076727
OC[C@H](c1nn2c(c1)CN(CCC2)CCc1c[nH]c(=O)n(c1=O)C)O	PC-id_99974402	349.385	ADHKJUCATFFIIM-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-076728
OC(=O)NC1CCn2c(N(C1=O)C)cc(n2)CCN1CC2CC1CO2	SCHEMBL19641638	349.385	GSDNUCCBJXULPJ-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-076729
C1CN(CCn2c1nn(c2=O)Cc1ccccc1)C(=O)c1ccncc1	PC-id_91922508	349.386	ZLQMSTADXBAZOE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-076730
C1CN(CCn2c1nn(c2=O)Cc1ccccc1)C(=O)c1cnccc1	PC-id_91922512,MCULE-7507413410,EMOLS-id_50590101	349.386	UCIUPOBOTHEKLU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-076731
Cc1ccc(cc1)C(=O)N1CC(Cn2nccc2C1)Oc1ncccn1	EMOLS-id_50016274	349.386	FSHQPCLPYAOHGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076732
Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](Oc3ncccn3)C2)cc1	ZINC22_248141629	349.386	FSHQPCLPYAOHGP-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076733
Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](Oc3ncccn3)C2)cc1	ZINC22_248141633	349.386	FSHQPCLPYAOHGP-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076734
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cccc(c1)Oc1cnccn1	MCULE-5379479851,EMOLS-id_320005350	349.386	TUBSXZYSMKFLOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076735
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(=O)n(n1)c1ccccc1	EMOLS-id_320224218,MCULE-4993989891	349.386	IOIQGHISJJDRPT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076736
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnc(cn1)Oc1ccccc1	EMOLS-id_320078905,MCULE-9086033156	349.386	DEGOPLVZFKLUDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076737
C[C@H](Oc1cccc(C#N)c1)C(=O)[C@@H](C#N)c1nnc2n1CCCCC2	PC-id_94812177,ZINC22_58282380	349.386	DGYNOALWNQTWGY-XJKSGUPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076738
C[C@@H](Oc1cccc(C#N)c1)C(=O)[C@H](C#N)c1nnc2n1CCCCC2	PC-id_94812180,ZINC22_58282383	349.386	DGYNOALWNQTWGY-CJNGLKHVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076739
C[C@@H](Oc1cccc(C#N)c1)C(=O)[C@@H](C#N)c1nnc2n1CCCCC2	ZINC22_58282381,PC-id_94812178	349.386	DGYNOALWNQTWGY-CZUORRHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076740
C[C@H](Oc1cccc(C#N)c1)C(=O)[C@H](C#N)c1nnc2n1CCCCC2	ZINC22_58282382,PC-id_94812179	349.386	DGYNOALWNQTWGY-BBRMVZONSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076741
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)c1cncc(O)c1	EMOLS-id_337777736,ZINC22_2356151937,MCULE-6755271241	349.386	IATPONVPXZZWMS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-076742
N#Cc1cccc(c1)OC(C(=O)C(c1nnc2n1CCCCC2)C#N)C	PC-id_51099369,MCULE-9463181076,EMOLS-id_32132241	349.386	DGYNOALWNQTWGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076743
N#Cc1ccc(O[C@H]2CN(C(=O)C3=CCCC3)Cc3ccnn3C2)nc1	ZINC22_306123874	349.386	AZGJEDIAHJSWBB-KRWDZBQOSA-N	00000011100000101101000000000010000000000000000000000000	31-01-076744
N#Cc1ccc(O[C@@H]2CN(C(=O)C3=CCCC3)Cc3ccnn3C2)nc1	ZINC22_306123875	349.386	AZGJEDIAHJSWBB-QGZVFWFLSA-N	00000011100000101101000000000010000000000000000000000000	31-01-076745
N#CCc1ccc(cc1)OCC(=O)C(c1nnc2n1CCCCC2)C#N	EMOLS-id_36286300,MCULE-1797042590,PC-id_53587196	349.386	WIAPTFDSPIMDPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076746
N#CCc1ccc(OCC(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1	PC-id_95048442,ZINC22_64102221	349.386	WIAPTFDSPIMDPX-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076747
N#CCc1ccc(OCC(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1	ZINC22_69346100,PC-id_95273007	349.386	WIAPTFDSPIMDPX-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076748
N#CC(c1nnc2n1CCCCC2)C(=O)C1=NOC(C1)c1ccccc1	EMOLS-id_32132235,MCULE-9287195493,PC-id_51099366	349.386	AJNBREJZRUERRR-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-076749
N#C[C@@H](C(=O)C1=NO[C@@H](c2ccccc2)C1)c1nnc2n1CCCCC2	PC-id_94810610,ZINC22_58267306	349.386	AJNBREJZRUERRR-GOEBONIOSA-N	00000011100000110101100000000010000000000000000000000000	31-01-076750
N#C[C@H](C(=O)C1=NO[C@H](c2ccccc2)C1)c1nnc2n1CCCCC2	ZINC22_58267298,PC-id_94810607	349.386	AJNBREJZRUERRR-ZBFHGGJFSA-N	00000011100000110101100000000010000000000000000000000000	31-01-076751
N#C[C@H](C(=O)C1=NO[C@@H](c2ccccc2)C1)c1nnc2n1CCCCC2	ZINC22_58267300,PC-id_94810608	349.386	AJNBREJZRUERRR-GDBMZVCRSA-N	00000011100000110101100000000010000000000000000000000000	31-01-076752
N#C[C@@H](C(=O)C1=NO[C@H](c2ccccc2)C1)c1nnc2n1CCCCC2	ZINC22_58267305,PC-id_94810609	349.386	AJNBREJZRUERRR-HOCLYGCPSA-N	00000011100000110101100000000010000000000000000000000000	31-01-076753
O(c1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1OCC#N)C	PC-id_78650347	349.386	TYQFONHBKMCKKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076754
O(c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1OCC#N)C	PC-id_8275405	349.386	TYQFONHBKMCKKI-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076755
O=C(c1ccccc1)N1Cc2nccn2C[C@@H](Cn2ncccc2=O)C1	PC-id_97463170,ZINC22_96188737	349.386	UGDFGITVDVSOKD-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076756
O=C(c1ccccc1)N1Cc2nccn2C[C@H](Cn2ncccc2=O)C1	ZINC22_96188736,PC-id_97463169	349.386	UGDFGITVDVSOKD-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076757
O=C(c1ccccc1Oc1ccccc1)NC1CCn2c(CC1)nnn2	MCULE-6342804776,EMOLS-id_177271570	349.386	OGDNHCSYSCIXKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076758
O=C(c1ccccn1)N1Cc2ccnn2C[C@H](COc2cccnc2)C1	PC-id_97389607,ZINC22_96067290	349.386	IXJZYUPEZILILK-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076759
O=C(c1ccccn1)N1Cc2ccnn2C[C@@H](COc2cccnc2)C1	ZINC22_96067291,PC-id_97389608	349.386	IXJZYUPEZILILK-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076760
O=C(c1ccccn1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	PC-id_97462437,ZINC22_96187990	349.386	MXORLEWJVOHBGN-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076761
O=C(c1ccccn1)N1Cc2nccn2C[C@H](COc2cccnc2)C1	ZINC22_96187986,PC-id_97462433	349.386	MXORLEWJVOHBGN-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076762
O=C(c1cccnc1)N1Cc2nccn2C[C@H](COc2cccnc2)C1	ZINC22_96187969,PC-id_97462417	349.386	CVEQWODBXDHXHM-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076763
O=C(c1cccnc1)N1Cc2nccn2C[C@@H](COc2cccnc2)C1	ZINC22_96187972,PC-id_97462420	349.386	CVEQWODBXDHXHM-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076764
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)Oc1ccncc1	EMOLS-id_316608111	349.386	GKVKNXAWDQUPEM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-076765
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)Oc1ccncc1	EMOLS-id_316637789	349.386	OGXMTIGUNNTJOW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-076766
O=C(c1ccnnc1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_247878852	349.386	UUPAWMSQRRTYKG-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076767
O=C(c1ccnnc1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_247878854	349.386	UUPAWMSQRRTYKG-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076768
O=C(c1cnccn1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_575402496	349.386	BBFSFLCNIZYPOK-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076769
O=C(c1cnccn1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_575402504	349.386	BBFSFLCNIZYPOK-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076770
O=C(c1cnccn1)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_247848161	349.386	HSVDFDJJWAMSKS-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076771
O=C(c1cnccn1)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_247848164	349.386	HSVDFDJJWAMSKS-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076772
O=C(c1cnccn1)N1Cc2cncn2CC[C@H]1COc1ccccc1	ZINC22_585097832	349.386	RMSHWNQOGLCRHU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076773
O=C(c1cnccn1)N1Cc2cncn2CC[C@@H]1COc1ccccc1	ZINC22_585097833	349.386	RMSHWNQOGLCRHU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076774
O=C(N1Cc2cncn2CCC1COc1ccccc1)c1cnccn1	EMOLS-id_313817125	349.386	RMSHWNQOGLCRHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076775
O=C(N1CC(Cn2cccc2C1)OCc1cccnc1)c1cnccn1	EMOLS-id_55750591	349.386	BBFSFLCNIZYPOK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076776
O=C(N1CC(Cn2cccc2C1)OCc1ccncc1)c1cnccn1	EMOLS-id_50013764	349.386	HSVDFDJJWAMSKS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076777
O=C(N1CCCn2nc(cc2C1)C(=O)Nc1ccccc1)c1[nH]ccc1	PC-id_50978426	349.386	GWRFYAVUMMBLSC-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-076778
O=C(N1CC(Cn2nccc2C1)Oc1ccc(cn1)C#N)C1=CCCC1	EMOLS-id_50014866	349.386	AZGJEDIAHJSWBB-UHFFFAOYSA-N	00000011100000101101000000000010000000000000000000000000	31-01-076779
O=C(N1CC(Cn2ncccc2=O)Cn2ccnc2C1)c1ccccc1	PC-id_118739338,EMOLS-id_44326579	349.386	UGDFGITVDVSOKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076780
O=C(N1CC(COc2cccnc2)Cn2ccnc2C1)c1ccccn1	EMOLS-id_44325993,PC-id_118739713	349.386	MXORLEWJVOHBGN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076781
O=C(N1CC(COc2cccnc2)Cn2ccnc2C1)c1cccnc1	PC-id_118745955,EMOLS-id_44325987,CHEMBL3552184	349.386	CVEQWODBXDHXHM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076782
O=C(N1CC(COc2cccnc2)Cn2nccc2C1)c1ccccn1	EMOLS-id_46160935	349.386	IXJZYUPEZILILK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076783
O=C(Nc1ccccc1)c1cnn2c1CN(C(=O)c1cc[nH]c1)CCC2	ZINC22_1565545526,EMOLS-id_313763022	349.386	JNRJEAYQOHZGLL-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-076784
Cc1nccc(c2cccc(NC(=O)[C@@H]3CCc4nnnn4CC3)c2)n1	ZINC22_581729739	349.39	ITEVVVSEXWOEIH-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076785
Cc1nccc(c2cccc(NC(=O)[C@H]3CCc4nnnn4CC3)c2)n1	ZINC22_581729740	349.39	ITEVVVSEXWOEIH-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076786
Cc1nccc(n1)c1cccc(c1)NC(=O)C1CCn2c(CC1)nnn2	MCULE-6335154923,EMOLS-id_316882097	349.39	ITEVVVSEXWOEIH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076787
n12CCCCCc1nnc2CNC(=O)c1cnc(nc1)c1cccnc1	ZINC22_95363915,PC-id_72868840,MCULE-7942058518,EMOLS-id_46615222	349.39	QVTNISUVONBABI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-076788
n12CCCNCc1cc(CNC(=O)c1cnc(nc1)c1ccccn1)n2	MCULE-4876785006,PC-id_74230893,EMOLS-id_49640562,ZINC22_97155647	349.39	GPKOYXHJEWJQJE-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-076789
n12CCCNCc1cc(CNC(=O)c1cnc(nc1)c1cccnc1)n2	PC-id_72918450,MCULE-7725187318,ZINC22_96163410,EMOLS-id_49171040	349.39	UOJMBEQTUDAZBZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-076790
n12CCCNCc1cc(CNC(=O)c1cnc(nc1)c1ccncc1)n2	EMOLS-id_49659490,PC-id_74240193,ZINC22_97578835,MCULE-9232764029	349.39	YYHBPDPWGBLLDU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-076791
O=C(C1CCn2c(CC1)nnn2)Nc1cnccc1Nc1ccccc1	EMOLS-id_319169080	349.39	HVENEAGRDQCVJG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-076792
O=C(C1CCn2c(CC1)nnn2)NCc1cccc(n1)c1ccccn1	MCULE-9957964613,EMOLS-id_319955060	349.39	COOJHTNGDQXSOA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-076793
O=C(c1ccnnc1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_306131524	349.39	KHSLDENYLZFDFH-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076794
O=C(c1ccnnc1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_306131525	349.39	KHSLDENYLZFDFH-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076795
O=C(c1ccnnc1)N1CCc2ncc(CNc3ccccn3)n2CC1	ZINC22_96197117,EMOLS-id_44329157,PC-id_97467260	349.39	WJVFETXLRSKXJL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076796
O=C(c1cnccn1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_306123568	349.39	AQMFGGCTSBJUJB-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076797
O=C(c1cnccn1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_306123569	349.39	AQMFGGCTSBJUJB-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076798
O=C(N1CC(CNc2ccccn2)Cn2nccc2C1)c1ccnnc1	EMOLS-id_50373239	349.39	KHSLDENYLZFDFH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076799
O=C(N1CC(CNc2ccccn2)Cn2nccc2C1)c1cnccn1	EMOLS-id_50376645	349.39	AQMFGGCTSBJUJB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076800
O=C(Nc1ccncc1c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_318950793	349.39	NLZBRYULVTXDSU-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-076801
F[C@@H]1CN2[C@@H](C1)CN(CC2)C(=O)c1coc2c1C(=O)NCC(C2)(C)C	MCULE-8722464501,EMOLS-id_320339603	349.4	IVDROCBUOBASON-RYUDHWBXSA-N	00000010100010000101000000000110000000000000000000000000	31-01-076802
O=S(=O)(CC1CCCCC1(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102028664	349.4	RDEVIUJQOCFUBK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076803
c12CN(CCCn1nc(CO)c2)C(=O)c1ccc(cc1)S(=O)(=O)C	EMOLS-id_55624212,PC-id_91767601,MCULE-2131890503	349.405	HQYPLCQIABVNPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076804
C1CCc2nc(cn2CC1)CC1C(=CN=C(CS1)C(=O)O)C(=O)O	PC-id_90934876	349.405	UEIDPUCNGWQGEZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-076805
c1(C(=O)/N=c/2[nH]c(c(C(=O)OCC)s2)C)c2CCCCCc2on1	PC-id_45494996,ZINC22_36360904,STOCK6S-92894,EMOLS-id_46527593,MCULE-2649786621,EMOLS-id_29929721	349.405	TXZLDDZXXUPFSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076806
c1(C(=O)/N=c/2scc(CC(=O)OCC)[nH]2)c2CCCCCc2on1	EMOLS-id_46560267,ZINC22_61721643,STOCK7S-16337,PC-id_52902480,MCULE-8738764348,EMOLS-id_35790421	349.405	FLPDBJVUIFQYCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076807
c1(NC(=O)CN2C(=O)CCC2=O)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_4948407,CoCoCo_5014650,MCULE-3180387724,BindingDB_PC-id_4580816,ChEMBL-DNDi_CHEMBL1516845,BindingDB-id_127468,ZINC22_4176885,CHEMBL1516845,PC-id_4580816	349.405	SJNGEZAFEFDTMH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-076808
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cc2OCOc2cc1C	MCULE-7083029660,EMOLS-id_319905451	349.405	IYBOCAHCCHFJDX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-076809
Cc1cc2OCOc2cc1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950875	349.405	ANOWEPWXPCPEPM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-076810
CC1CS(=O)(=O)OCCc2c1[nH]nc2C(=O)NCc1ccccc1	PC-id_135232611,SCHEMBL20390599	349.405	YDHDCVNOWTTYFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076811
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc2c(s1)CCCCC2	MCULE-4680576509,EMOLS-id_45632838,PC-id_71944215,ZINC22_61802714	349.405	BLRUMSNKLNJVGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076812
CC(c1sc(c(n1)C)C(=O)O)NC(=O)c1noc2c1CCCCC2	PC-id_120537657	349.405	ASDVGXMIQVAIJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076813
COc1ccc(cc1)CNS(=O)(=O)c1cn2c(c1)C(=O)NCCC2	MCULE-4116053417,PC-id_53182790,EMOLS-id_33086268	349.405	YXGZMUCZTBVAJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076814
COc1ccccc1CNS(=O)(=O)c1cn2c(c1)C(=O)NCCC2	PC-id_53182766,EMOLS-id_33086172,MCULE-8313760215	349.405	WHVATGLNCZGGPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076815
COc1ccc(NS(=O)(=O)c2cc3C(=O)N(C)CCCn3c2)cc1	MCULE-1040816902,PC-id_53182861,EMOLS-id_48455507	349.405	QOPXDWHLGFSUBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076816
COc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c(C)c1	MCULE-8202064661,PC-id_53182833,EMOLS-id_33086474	349.405	MYQVJWVROGRKRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076817
s1c(Nc2nc3-c(c2C(=O)OCC)ccccc3)nc2c1cccc2	PC-id_44139185	349.406	MMVOUMCFAIBMNQ-UHFFFAOYSA-N	00000010100000100111000001000010000000000000000000000000	31-01-076818
c1(csc(NC)n1)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	MCULE-4465137573,ZINC22_95385869,PC-id_72923889,EMOLS-id_46643202	349.408	JWILIJNLPWCMJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076819
c1(sc(nc1CC)N)C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	EMOLS-id_32373650,MCULE-6435077626,PC-id_50951076,ZINC22_65373414	349.408	ORHOCXMUZKKCSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076820
Cc1cc2CN(CCCn2n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N	ZINC22_299762588,MCULE-8035433988,PC-id_118768144,EMOLS-id_68885753	349.408	XLUMPAXEWVUDEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076821
CC1Cc2c(O1)ccc(c2)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026701	349.408	CIVDWNONHCYCAM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-076822
CC(=O)N1CCCn2nc(CNS(=O)(=O)c3cccnc3)cc2C1	MCULE-1037384619,ZINC22_82137776,EMOLS-id_44445597,PC-id_70767844	349.408	XUCKTMPFCLXKHY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076823
CC(=O)Nc1cc(ccc1C)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316709885	349.408	QIZISMIFKBASTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076824
CC(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCCn2c(C1)cnn2)C	MCULE-7186316171,EMOLS-id_320222252	349.408	ROAMXKMEEXBJDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076825
COCCNC(=O)c1ccc2CCN(CCn12)C(=O)c1csnn1	EMOLS-id_313775297,ZINC22_1565545692	349.408	KZEWHKBUJKKLOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076826
CS(=O)(=O)N1Cc2ccnn2C[C@H](CNC(=O)c2cccnc2)C1	ZINC22_306136441	349.408	PTPJROAGFQTULI-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076827
CS(=O)(=O)N1Cc2ccnn2C[C@@H](CNC(=O)c2cccnc2)C1	ZINC22_306136442	349.408	PTPJROAGFQTULI-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076828
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)NCc1cnccn1	MCULE-6361727379,EMOLS-id_317417307	349.408	YLRZUDKHBLOFBC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-076829
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccccn3)cc2C1	EMOLS-id_44433059,ZINC22_82107252,PC-id_70731923,MCULE-6627081696	349.408	IIIUYUNXALLZOT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076830
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3cccnc3)cc2C1	PC-id_70788100,MCULE-6928133656,EMOLS-id_44452599,ZINC22_82170858	349.408	LYYBOTKYRIJJCV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076831
CS(=O)(=O)N1CC(CNC(=O)c2cccnc2)Cn2ccnc2C1	PC-id_118742669,CHEMBL3552789	349.408	SDEMDCIYYMFKSQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076832
CS(=O)(=O)N1CC(CNC(=O)c2cccnc2)Cn2nccc2C1	EMOLS-id_55739960	349.408	PTPJROAGFQTULI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076833
CS(=O)(=O)NCc1cnc2CCN(CCn12)C(=O)c1ccccn1	ZINC22_96067924,EMOLS-id_46161889,PC-id_97390230	349.408	LTXZOQYLJXVWKJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076834
n12CCN(CCc1nn(CC1CC1)c2=O)S(=O)(=O)c1cccnc1	PC-id_91910682,MCULE-5577614684,EMOLS-id_50590059	349.408	DOBBVEBOVOTVHQ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-076835
NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cc2CNCCCn2n1	EMOLS-id_44437047,PC-id_70743148,ZINC22_82115216,MCULE-3797432298	349.408	VBNGLFFAHZBYCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076836
O=C(c1cccc(c1)S(=O)(=O)N)NCc1nnc2n1CCCCC2	GD-id_ZINC42060365	349.408	QFYZNRSCLRFPBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076837
O=C(c1ccncc1)N1CCc2n(CC1)c(cn2)CNS(=O)(=O)C	PC-id_97390229	349.408	IZMSMVGNOMZBRP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076838
O=C(C1Cn2nccc2CN(C1)S(=O)(=O)C)NCc1cccnc1	PC-id_118746456	349.408	WOUIGRNSXPVGDI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076839
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110375563	349.408	YJNOVGNRSLYXHY-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-076840
O=C(CCc1n[nH]c(=O)[nH]c1=O)Nc1nc2c(s1)CCCCCC2	MCULE-9219690836,PC-id_53556732,ZINC22_69367541,EMOLS-id_36338386	349.408	QFGGYGFMPMKJGU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-076841
O=C(N1CC(C1)Oc1nccs1)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_317720242,MCULE-5150807175	349.408	VZYYRHMFFDKUQK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-076842
O=S(=O)(N1CCc2n(CC1)c(nn2)COc1ccccn1)C1CC1	PC-id_97519290	349.408	OQPNMMONWKVHLX-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-076843
c12CN(CCCn1nc(C#N)c2)C(=O)C=Cc1sc2c(cccc2)n1	MCULE-8317475981	349.41	BXDGOILRNNZUGE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-076844
N#Cc1cc2n(n1)CCCN(C(=O)/C=C/c1nc3ccccc3s1)C2	EMOLS-id_289981291,ZINC22_952964195	349.41	BXDGOILRNNZUGE-VOTSOKGWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-076845
O=S(=O)(N1CCCn2c(C1)c(CNc1ncccn1)nn2)C1CC1	PC-id_97405525	349.411	LKSBTGSODXPJCU-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-076846
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)C1CC1c1cccc(c1)F	EMOLS-id_320010526,MCULE-7638186625	349.423	QZNJEKFMKPIMDP-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-076847
CC1CCc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C	PC-id_139471262,SCHEMBL21337261	349.423	IAURMQMMPZVURE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076848
CC(C)(C)OC(=O)c1ccc(cc1)Cn1cc(c2=CC=CCC=c12)C=O	PC-id_137397471,SCHEMBL20628939	349.423	CYEGRCUOSRGOFE-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-076849
c1ccc(cc1)c1cc(c(cc1)N)C(=Cc1c2-c(ccccc2)cc1)C=O	PC-id_89275591	349.424	IIZONZJKXMBPGL-UHFFFAOYSA-N	00000010100000110110100000000010000000000000000000000000	31-01-076850
O=C/C(=Cc1ccc2-c1ccccc2)/c1cc(ccc1N)c1ccccc1	SCHEMBL14216114	349.424	IIZONZJKXMBPGL-PXLXIMEGSA-N	00000010100000110110100000000010000000000000000000000000	31-01-076851
CN(CC1(O)CCN(C1)C(=O)c1coc2c1C(=O)NCC(C2)(C)C)C	EMOLS-id_319722760	349.425	NYEGLDRYWBHMMN-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-076852
CON(C1CCN(CC1)C(=O)c1coc2c1C(=O)NCC(C2)(C)C)C	EMOLS-id_319908037,MCULE-5097743123	349.425	MLKLBOMQTMSGBX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-076853
O=C(N1CCCc2c(C1)cnn2C)CCC1CCC(O1)C1OCCO1	EMOLS-id_316722750	349.425	WPPUPRYOUJSZGN-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-076854
c1ccc(COc2ccc(OCc3nnc4n3CCCCC4)cc2)cc1	PC-id_2359026,ZINC22_3241573,CoCoCo_3763764,EMOLS-id_3002299,MCULE-9869004554	349.426	LIKWARLEPUBKTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076855
Cc1cc(C)c(c(c1)C)CCNC(=O)Cn1c(=O)nc2-c1ccccc2	EMOLS-id_320077983,MCULE-6107434217	349.426	MCUDQRJAPWYBBP-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-076856
Cc1cc(C)n(Cc2cccc(C(=O)N3CCCc4occc4C3)c2)n1	EMOLS-id_177259840,MCULE-9647338634,ZINC22_289111560	349.426	FBELTFUSMKBWCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076857
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1ccc(o1)c1ccccc1	EMOLS-id_320329798,MCULE-9125040549	349.426	YGVXYPCRKFLPFR-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-076858
C/C=CC=C(C1=NCc2n(C(=C1/C=CC)C=C)c(nc2C(=O)O)C)/C=C	PC-id_142035519	349.426	PJVQZONDHKYPMP-YGJANMDJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-076859
CC(=NN1C(=CC(=NC1=C)C(C)C)OCc1cc2c(o1)C#CCC=C2)C	PC-id_144081019	349.426	FYOKVORMOHJLRJ-UHFFFAOYSA-N	00000000100011000111000000000010000000000000000000000000	31-01-076860
n12CCCN(Cc3ccccc3)Cc1ccc2C(=O)NCc1ccco1	MCULE-4865413069,EMOLS-id_317417561	349.426	ILUJLMYQLNKJFS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-076861
N#CC(C1CCCN1C(=O)c1noc2c1CCCCC2)c1ccccc1	EMOLS-id_101012750	349.426	IAMQLDCKDWIHER-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-076862
Oc1cc(OCc2ccccc2)ccc1CN1CCCc2n[nH]cc2C1	ZINC22_828008538	349.426	DBAVTOKEMJTAMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076863
O=c1nc2-c(n1CC1OCCCN(C1)Cc1ccccc1)ccccc2	EMOLS-id_319704659	349.426	XTTDXESCKIAMBP-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-076864
ONC(=O)/C=C/C1=Cc2nc(n(c2CC=C1)CC)CCc1ccccc1	PC-id_143019591	349.426	BUHCFDLBSYQLFE-WYMLVPIESA-N	00000000100000110111000000000010000000000000000000000000	31-01-076865
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCN1CCNCC1	PC-id_56904103,ZINC22_72448312,MCULE-1360604895,EMOLS-id_43142008	349.428	SANOQWPWYZJNRE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076866
c12CN(CCCn1nc(CNC(=O)C1(CCCO1)C)c2)C(=O)N(C)C	MCULE-5752996043,EMOLS-id_46053831,PC-id_72877514	349.428	PJFCHGPWUJRLJA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076867
c12CN(CCCn1nc(CNC(=O)[C@@H](COC)N)c2)C(=O)C1CCC1	ZINC22_77439061,PC-id_70753499,MCULE-7247022122,EMOLS-id_43584447	349.428	SRKBQAVLIXOZNL-OAHLLOKOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-076868
c12CN(CCCn1nc(CNC(=O)CN1CCOC1=O)c2)CC(C)C	EMOLS-id_44429715,PC-id_70722530,ZINC22_82098124,MCULE-2610611004	349.428	SRFFZUVPBIWTFQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076869
c12C(=O)NCC(O)Cn1nc(C(=O)NC1CC(C)(C)NC(C)(C)C1)c2	MCULE-1270221395,EMOLS-id_82725239,PC-id_119068058	349.428	ZXNSWJXZRMGGNI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076870
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)C=Cc1ccccc1	PC-id_90625617	349.428	ARUMRBJSZAUQTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076871
c1(C(=O)NC2CCN(CC2)C(=O)OCC)cc2n(CCCN(C)C2)n1	ZINC22_65507767,MCULE-7358939951,PC-id_50981284,EMOLS-id_32430786	349.428	SJIRLCMSIYFAGL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076872
c1(C(=O)NCCN(C)C)cc2n(CCCN(C(=O)C3CCCO3)C2)n1	MCULE-9164415546,PC-id_50976766,EMOLS-id_32422280	349.428	JNNSNDWXWDSPLC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076873
c1(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)cc2n(CCCN(C)C2)n1	EMOLS-id_32416706,ZINC22_65456409,MCULE-3425795259,PC-id_50973808	349.428	GOZMVVAGRBSSBW-HOTGVXAUSA-N	00000010100010000101100000000010000000000000000000000000	31-01-076874
CC1CC(CN(C1)C(=O)NCCc1nnc2n1CCCCC2)C(=O)O	PC-id_122122040,EMOLS-id_72940055,MCULE-5983217635	349.428	OBTHFUCCWMKSLQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076875
CC1CC(CN(C1)C(=O)N[C@@H](c1nnc2n1CCCCC2)C)C(=O)O	PC-id_122122679	349.428	QPUYEVHMTMJYTN-OTTFEQOBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076876
CC1(C)CC(NC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC(C)(C)N1	ZINC22_426536596	349.428	ZXNSWJXZRMGGNI-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076877
CC1(C)CC(NC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)CC(C)(C)N1	ZINC22_426536597	349.428	ZXNSWJXZRMGGNI-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-076878
CC1CCN(CC1)CCN(C)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135090943	349.428	ZQRWTNKKVFBTDU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076879
CCC(c1nnc2n1CCCCC2)NC(=O)N1CCC(C1)(C)C(=O)O	PC-id_122005177,EMOLS-id_72715371,MCULE-3914007692	349.428	LGJNTULPWJMWNI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076880
CCC(c1nnc2n1CCCCC2)NC(=O)N1CCCC(C1)C(=O)O	PC-id_122005175	349.428	ZLUOIPGHSAGAKS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076881
CC(C)CNC(=O)c1ncn2c1CN(C(=O)[C@H]1NCC[C@@H]1O)CCC2	ZINC22_1565551004,EMOLS-id_313790267	349.428	LEGRFTGWRQEFAY-ZFWWWQNUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076882
C[C@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)N1CCCCC1	EMOLS-id_36359536,PC-id_53583634,MCULE-1243613879,ZINC22_69585835	349.428	QVZSXIKPXSOVRO-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076883
CCNC(=O)OCC1CCCCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278167948	349.428	HZDKSKMHNQDMSQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076884
CC(=O)N1CCC(CC1)C(=O)N(C)C1CCc2nn(c(=O)n2CC1)C	PC-id_91922703	349.428	IHHJFFCWDXEVPX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076885
CN1CCCCC(C1=O)N(C(=O)Cn1nc2n(c1=O)CCCCC2)C	EMOLS-id_316607377	349.428	HOGYMAUKRIDPAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-076886
CN1C(C)C(C)N(C(C1=O)C)C(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_319926797,MCULE-9280023031	349.428	YUJAIMJMUUIOGL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076887
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CN1CCCC1=O)C2	PC-id_100067021,ZINC22_221324931	349.428	LXCWLWWAPRXARW-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076888
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)CN1CCCC1=O)C2	ZINC22_221324869,PC-id_100067020	349.428	LXCWLWWAPRXARW-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076889
CN(C)CCNC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]1CCCO1)C2	ZINC22_65469533,PC-id_95138124	349.428	JNNSNDWXWDSPLC-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076890
CN(C)CCNC(=O)c1cc2n(n1)CCCN(C(=O)[C@H]1CCCO1)C2	ZINC22_65469536,PC-id_95138125	349.428	JNNSNDWXWDSPLC-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076891
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)CN1CCCC1=O	EMOLS-id_50545359,PC-id_90652654,MCULE-3608794555	349.428	LXCWLWWAPRXARW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076892
CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@@]3(C)CCCO3)cc2C1	PC-id_97126741,ZINC22_91594930	349.428	PJFCHGPWUJRLJA-QGZVFWFLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076893
CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@]3(C)CCCO3)cc2C1	PC-id_97126742,ZINC22_91594932	349.428	PJFCHGPWUJRLJA-KRWDZBQOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-076894
CN(C(=O)OCC1CCCCN1C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_278168028	349.428	CHIKKKHFOMYRKY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076895
COC1(CC(=O)N2Cc3ncnn3C[C@H](C(=O)NC(C)C)C2)CCC1	ZINC22_1565548622	349.428	GMTVVTQSFRCPAI-CYBMUJFWSA-N	00001000100000000101000000000010000000000000000000000000	31-01-076896
COC1(CC(=O)N2Cc3ncnn3C[C@@H](C(=O)NC(C)C)C2)CCC1	ZINC22_1614930941	349.428	GMTVVTQSFRCPAI-ZDUSSCGKSA-N	00001000100000000101000000000010000000000000000000000000	31-01-076897
COC1(CC(=O)N2CC(Cn3ncnc3C2)C(=O)NC(C)C)CCC1	EMOLS-id_313722841	349.428	GMTVVTQSFRCPAI-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-076898
COCC(=O)N1CCC(CC1)C(=O)NCc1nnc2CCCCCn12	PC-id_72867123,EMOLS-id_46614308,MCULE-6163786836,ZINC22_95363273	349.428	QJZYXJZSPCGWGQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076899
N(C(c1ccccc1)(c1ccccc1)C)c1nc2-c(c1C#N)ccccc2	PC-id_19940129,SCHEMBL9158018	349.428	XGHHTODMNPXKPX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-076900
N#Cc1c(NCC(c2ccccc2)c2ccccc2)nc2-c1ccccc2	PC-id_10337897,SCHEMBL9157843	349.428	VCPROMWETGVKRO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-076901
O1CC(N2CCOCC2)C(NC(=O)c2nn3c(CN(CCC3)C)c2)C1	PC-id_75593246	349.428	GOZMVVAGRBSSBW-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-076902
O=C(N1CCCCC1)C(NC(=O)Cn1nc2n(CCCCC2)c1=O)C	PC-id_76053035	349.428	QVZSXIKPXSOVRO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076903
O=C(N1CCCn2nc(cc2C1)CNC(=O)C(N)COC)C1CCC1	PC-id_78081499	349.428	SRKBQAVLIXOZNL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-076904
O(C(=O)C1CCN(CC1)C(=O)NCc1n2CCCCCc2nn1)CC	PC-id_60431707	349.428	VBFXYPIRPMGSQD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-076905
OC(=O)C1(CCOC1)N1CCN(CC1)Cc1nnc2n1CCCCC2	MCULE-1347821266,EMOLS-id_316141654	349.428	ZKLMJTJKQDIIKI-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-076906
O=C(O)[C@]1(N2CCN(Cc3nnc4n3CCCCC4)CC2)CCOC1	ZINC22_886072027	349.428	ZKLMJTJKQDIIKI-KRWDZBQOSA-N	00000010100010000101100000000010000000000000000000000000	31-01-076907
O=C(O)[C@@]1(N2CCN(Cc3nnc4n3CCCCC4)CC2)CCOC1	ZINC22_886072028	349.428	ZKLMJTJKQDIIKI-QGZVFWFLSA-N	00000010100010000101100000000010000000000000000000000000	31-01-076908
c12nnnn1CCCCC2C(=O)N1CCC2(CC1)c1ccccc1C=C2	MCULE-7093906066,EMOLS-id_49672512,PC-id_74246587	349.43	CAFCGOBDWRVEOH-UHFFFAOYSA-N	00000011100010100101000000000010000000000000000000000000	31-01-076909
c1ccc(CN2Cc3ccnn3C[C@H](COCc3cccnc3)C2)nc1	ZINC22_96189150,PC-id_97463562	349.43	FFHQVJXVERHOMH-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076910
c1ccc(CN2Cc3ccnn3C[C@@H](COCc3cccnc3)C2)nc1	ZINC22_96189151,PC-id_97463563	349.43	FFHQVJXVERHOMH-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076911
c1ccc(CN2Cc3cncn3C[C@H](COCc3ccncc3)C2)nc1	PC-id_97476133,ZINC22_96208006	349.43	SCPMOGDUULBOEI-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076912
c1ccc(CN2Cc3cncn3C[C@@H](COCc3ccncc3)C2)nc1	PC-id_97476134,ZINC22_96208007	349.43	SCPMOGDUULBOEI-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076913
c1ccc(COC[C@@H]2CN(Cc3ccccn3)Cc3ccnn3C2)nc1	ZINC22_96189174,PC-id_97463583	349.43	WKMQWTYWGXUGLZ-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076914
c1ccc(COC[C@H]2CN(Cc3ccccn3)Cc3ccnn3C2)nc1	ZINC22_96189175,PC-id_97463584	349.43	WKMQWTYWGXUGLZ-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076915
c1ccc(COC[C@H]2CN(Cc3cccnc3)Cc3ccnn3C2)nc1	PC-id_97463585,ZINC22_96189176	349.43	IKEIUPAEIHJTRV-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076916
c1ccc(COC[C@@H]2CN(Cc3cccnc3)Cc3ccnn3C2)nc1	ZINC22_96189177,PC-id_97463586	349.43	IKEIUPAEIHJTRV-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076917
c1ccc(COC[C@H]2CN(Cc3ccncc3)Cc3ccnn3C2)nc1	ZINC22_96189178,PC-id_97463587	349.43	VJLPPLGOCYSIIK-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076918
c1ccc(COC[C@@H]2CN(Cc3ccncc3)Cc3ccnn3C2)nc1	ZINC22_96189179,PC-id_97463588	349.43	VJLPPLGOCYSIIK-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076919
c1cc(COC[C@@H]2CN(Cc3ccncc3)Cc3cncn3C2)ccn1	PC-id_97475496,ZINC22_96207369	349.43	POTRDGRONLCACX-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076920
c1cc(COC[C@H]2CN(Cc3ccncc3)Cc3cncn3C2)ccn1	ZINC22_96207370,PC-id_97475497	349.43	POTRDGRONLCACX-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-076921
C1CN(Cc2cc(nn2C1)C(c1ccccc1)O)Cc1c(nccc1)N	MCULE-6877828093,PC-id_91787995,EMOLS-id_55682941	349.43	HYNFOVRJFPYERR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-076922
c1cncc(COC[C@H]2CN(Cc3cccnc3)Cc3ccnn3C2)c1	PC-id_97463565,ZINC22_96189153	349.43	XYBVLWQUSQSOQS-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-076923
c1cncc(COC[C@@H]2CN(Cc3cccnc3)Cc3ccnn3C2)c1	ZINC22_96189152,PC-id_97463564	349.43	XYBVLWQUSQSOQS-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076924
c1cncc(COC[C@H]2CN(Cc3ccncc3)Cc3ccnn3C2)c1	PC-id_97463566,ZINC22_96189154	349.43	PVBMDWPAQUJLER-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-076925
c1cncc(COC[C@@H]2CN(Cc3ccncc3)Cc3ccnn3C2)c1	ZINC22_96189155,PC-id_97463567	349.43	PVBMDWPAQUJLER-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076926
c1cncc(COC[C@H]2CN(Cc3ccncc3)Cc3nccn3C2)c1	PC-id_97462514,ZINC22_96188068	349.43	RLBNJHKHEGNZRH-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-076927
c1cncc(COC[C@@H]2CN(Cc3ccncc3)Cc3nccn3C2)c1	PC-id_97462518,ZINC22_96188072	349.43	RLBNJHKHEGNZRH-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076928
c1(cnn(c2ccccc2)c1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_426514929,PC-id_119066664,EMOLS-id_82721501,MCULE-3921031023	349.43	XWSAPJIANOCQRB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076929
c1(C(=O)NCCn2ccnc2c2ccccc2)c2CCCCCc2[nH]n1	EMOLS-id_323254706,MCULE-6608166619	349.43	FINCRIDIVXYWOK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076930
Cc1c2-c(c(cc2/C=NNc2nnc(c(=O)[nH]2)C)C)cc(cc1)C(C)C	PC-id_135784953	349.43	YOMPJQGVPRMTEL-FBHDLOMBSA-N	00000010100000100111000000000010000000000000000000000000	31-01-076931
Cc1cc2n(n1)CCCN(C(=O)c1ccc(n3nc(C)cc3C)cc1)C2	MCULE-6620435910,EMOLS-id_43571215,ZINC22_77377731,PC-id_70732018	349.43	VNKDBIYTCXBNNO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076932
CC1C=Cc2c(C=C1)cc([nH]2)C(=O)N1CCN(CC1)c1ncccc1N	PC-id_142824366	349.43	DKPHYLPEFXREKK-UHFFFAOYSA-N	00000000100010101111100000000010000000000000000000000000	31-01-076933
Cc1cccc(c1)c1nc(c([nH]1)C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674709	349.43	WZJIVKFINZSGMS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076934
Cc1ccc(cc1)CC(=O)N1CC(Cn2cccn2)Cn2c(C1)ncc2	PC-id_118739762	349.43	HAAAKEMTQAXFHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076935
Cc1cccc(c1)n1ncc(c1C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101669314	349.43	VDESDRQCGCCDEM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076936
Cc1ccc(cc1)n1nc(cc1C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674805	349.43	GRBZXKYYUIUKPS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076937
Cc1cccc(CN2Cc3cncn3C[C@H](COc3cccnc3)C2)n1	PC-id_97477301,ZINC22_96209174	349.43	RGDHQBBPAYEBRN-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076938
Cc1cccc(CN2Cc3cncn3C[C@@H](COc3cccnc3)C2)n1	PC-id_97477302,ZINC22_96209175	349.43	RGDHQBBPAYEBRN-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076939
Cc1cccc(CN2CC(COc3cccnc3)Cn3cncc3C2)n1	EMOLS-id_49232873	349.43	RGDHQBBPAYEBRN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076940
Cc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1n1cccc1	MCULE-8900284978,ZINC22_48279385,PC-id_47019793,EMOLS-id_30677130	349.43	GKKVPHYFBXQKRX-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-076941
Cc1cccnc1CN1Cc2ccnn2CCC1COc1ccccn1	EMOLS-id_313820194	349.43	CMCXBMNBFOMGLQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076942
Cc1cccnc1CN1Cc2ccnn2CC[C@@H]1COc1ccccn1	ZINC22_585096764	349.43	CMCXBMNBFOMGLQ-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076943
Cc1cccnc1CN1Cc2ccnn2CC[C@H]1COc1ccccn1	ZINC22_585096765	349.43	CMCXBMNBFOMGLQ-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076944
Cc1ccc(nc1)CN1CCn2c(CC1)nn(c2=O)Cc1ccccc1	MCULE-2185866767,EMOLS-id_50586471,PC-id_91922520	349.43	OHJIPUAFOJBCOJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-076945
Cc1cc(C)n(Cc2ccc(cc2)C(=O)N2CCCn3cncc3C2)n1	ZINC22_72426816,MCULE-7751751528,EMOLS-id_43114499,PC-id_56896047	349.43	NAMXSDZCWNHQQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076946
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1ccc(cc1)n1nc(cc1C)C	EMOLS-id_319497136	349.43	KCQNPJQXAJCJCX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076947
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1c(C)nn(c1C)c1ccccc1	EMOLS-id_319465202	349.43	COGGEKPAZGKZMT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076948
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1C)c1ccc(cc1)C	EMOLS-id_318824816	349.43	HPXSUOXRUMESCX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076949
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1cnn(c1C)c1cccc(c1)C	EMOLS-id_319674721	349.43	NGCXLRGMYVKSTQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076950
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nc([nH]c1C)c1cccc(c1)C	EMOLS-id_319841219,MCULE-6437337490	349.43	PBNPYVDFPGCTGE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076951
CC1CN(Cc2c(C1)[nH]nc2)C(=O)c1nn(c(c1)C)c1ccc(cc1)C	EMOLS-id_319188487	349.43	NXEIOYBJCQQYCP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076952
CC1CN(Cc2c(C1)[nH]nc2)C(=O)CCc1cnn(c1)c1ccccc1	EMOLS-id_320125049,MCULE-5293407259	349.43	UJANCGMNMFMPSW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076953
Cc1ncn(c2ccc(NC(=O)[C@H]3CCc4nccn4CC3)cc2)c1C	ZINC22_2325805489	349.43	MVXDROWMTPGQSC-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076954
Cc1ncn(c2ccc(NC(=O)[C@@H]3CCc4nccn4CC3)cc2)c1C	ZINC22_2325805490	349.43	MVXDROWMTPGQSC-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076955
Cc1nn(c(c1)C)c1ccc(cc1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101668211	349.43	UOBYOTCYPAFBJX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076956
Cc1nn(c(c1C(=O)N1CCCc2c(C1)cnn2C)C)c1ccccc1	EMOLS-id_101667407	349.43	LUZFUWMVYPTCHZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076957
CCn1ncc(c1c1ccccc1)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-8241773398,EMOLS-id_320280878	349.43	LNQGCEVFAXUVFN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076958
Cn1c(ccc1c1ccccc1)C(=O)NCc1cc2CNCCCn2n1	ZINC22_97698825,EMOLS-id_49669642,MCULE-9691669836,PC-id_74245171	349.43	UXXBBEYTUJAYPL-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-076959
Cn1cc(CNC(=O)c2cc3c([nH]2)CCCNC3)c(c2ccccc2)n1	ZINC22_2325820851	349.43	RBJRREDUIBAHFN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076960
Cn1ncc(c1)c1ccc(cc1)CNC(=O)c1cnc2n1CCCCC2	EMOLS-id_319954342,MCULE-3249734087	349.43	OLBUBAKBXDIUPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076961
Cn1ncc(c1)c1ccc(cc1)CNC(=O)c1n[nH]c2c1CCCCC2	MCULE-4366330731,EMOLS-id_320167114	349.43	RMUCBRLHXNOMSG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076962
COc1cccc(CN2CCc3nc(Cc4ccccc4)nn3CC2)n1	MCULE-2268670419,EMOLS-id_337831042,ZINC22_2356169112	349.43	LCEAOSGXVONNDC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-076963
COc1ccc(CN2CCc3nc(Cc4ccccc4)nn3CC2)cn1	ZINC22_2356149700,MCULE-8654139434,EMOLS-id_337809982	349.43	RGVSRGQZZVMRQY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-076964
C(OCc1ccccn1)C1CN(Cc2ccccn2)Cc2ccnn2C1	EMOLS-id_44327127	349.43	WKMQWTYWGXUGLZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076965
C(OCc1ccccn1)C1CN(Cc2cccnc2)Cc2ccnn2C1	EMOLS-id_44327129	349.43	IKEIUPAEIHJTRV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076966
C(OCc1ccccn1)C1CN(Cc2ccncc2)Cc2ccnn2C1	EMOLS-id_44327131	349.43	VJLPPLGOCYSIIK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076967
C(OCc1cccnc1)C1CN(Cc2ccccn2)Cc2ccnn2C1	PC-id_118739239,EMOLS-id_44327095	349.43	FFHQVJXVERHOMH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076968
C(OCc1cccnc1)C1CN(Cc2cccnc2)Cc2ccnn2C1	EMOLS-id_44327097,PC-id_118747045,CHEMBL3553978	349.43	XYBVLWQUSQSOQS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076969
C(OCc1cccnc1)C1CN(Cc2ccncc2)Cc2ccnn2C1	PC-id_118739234,EMOLS-id_44327099	349.43	PVBMDWPAQUJLER-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076970
C(OCc1cccnc1)C1CN(Cc2ccncc2)Cc2nccn2C1	EMOLS-id_44326019	349.43	RLBNJHKHEGNZRH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076971
C(OCc1ccncc1)C1CN(Cc2ccccn2)Cc2cncn2C1	EMOLS-id_49231023	349.43	SCPMOGDUULBOEI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076972
C(OCc1ccncc1)C1CN(Cc2ccncc2)Cc2cncn2C1	EMOLS-id_49230043	349.43	POTRDGRONLCACX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-076973
n12CCN(CCc1nnc2Cc1cccnc1)C(=O)[C@@H]1C[C@H]2C[C@@H]1C=C2	EMOLS-id_313094012,MCULE-6003270829,PC-id_70752593,ZINC22_82121510	349.43	BNVAOQUJKPRKFS-HYVNUMGLSA-N	00000011100000101101000000000110000000000000000000000000	31-01-076974
n1c(CNC(=O)c2cccc(c2)Cn2cccn2)c2c(CCCCC2)[nH]1	MCULE-1503086085,EMOLS-id_44742504,PC-id_70776797,ZINC22_91966355	349.43	WLHJBPYORKUZIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076975
N#Cc1cccc(c1)C=CC(=O)NCCCc1nnc2n1CCCCC2	PC-id_72015828,EMOLS-id_49015723,MCULE-2855428578	349.43	KTBGRDBJTRRFDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076976
N#Cc1cccc(c1)/C=CC(=O)NCCCc1nnc2n1CCCCC2	PC-id_97559287	349.43	KTBGRDBJTRRFDK-KHPPLWFESA-N	00000000100000110101000000000010000000000000000000000000	31-01-076977
N#Cc1cccc(c1)C(=O)N1CCCn2c(C1)c(nc2)CN1CCCC1	PC-id_97405459	349.43	LUTMCOCNXLHLMP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-076978
N#Cc1ccc(cc1)C(=O)N1CCn2c(CC1)ncc2CN1CCCC1	PC-id_97467013	349.43	SFLWDLOAXDHUSQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-076979
N#Cc1cccc(/C=C/C(=O)NCCCc2nnc3n2CCCCC3)c1	PC-id_75407373,ZINC22_79050652	349.43	KTBGRDBJTRRFDK-ZHACJKMWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076980
N#Cc1cccc(CN2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)c1	PC-id_97462863,ZINC22_96188425	349.43	HUDNTDGNUOJTQE-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-076981
N#Cc1cccc(CN2Cc3nccn3C[C@H](CN3CCCC3=O)C2)c1	ZINC22_96188424,PC-id_97462862	349.43	HUDNTDGNUOJTQE-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-076982
N#C/C(=Cc1ccc(cc1)N1CCOCC1)/c1nnc2n1CCCCC2	CoCoCo_3456311,PC-id_7481087	349.43	QJISUEXFRRBODO-SAPNQHFASA-N	00000000100010110101100000000010000000000000000000000000	31-01-076983
N#CC(=Cc1ccc(cc1)N1CCOCC1)c1nnc2n1CCCCC2	PC-id_72084749,EMOLS-id_26092827,MCULE-1314512612	349.43	QJISUEXFRRBODO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-076984
Brc1cc(Cn2cc3C(O)CCCCc3c2)ccc1OC	PC-id_83210409	350.25	MCXRFESFPIGTBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077580
N#C/C(=C/c1ccc(cc1)N1CCOCC1)/c1nnc2n1CCCCC2	PC-id_73673968,CoCoCo_3456312	349.43	QJISUEXFRRBODO-VKAVYKQESA-N	00000000100010110101100000000010000000000000000000000000	31-01-076985
O=C1CCCN1CC1CN(Cc2cccc(c2)C#N)Cc2nccn2C1	EMOLS-id_44326263	349.43	HUDNTDGNUOJTQE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-076986
O=c1nc(NN=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)[nH]nc1C	PC-id_9176753	349.43	YOMPJQGVPRMTEL-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-076987
O=C(c1cccc(c1)n1cccc1)NCCc1nnc2n1CCCCC2	PC-id_86920425	349.43	VZPNUVPVILWALN-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-076988
O=C(c1cccn1C)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_171561193,MCULE-6423418269,PC-id_122138897	349.43	HYZIQZWMXHVWOW-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-076989
O=C(c1cnn(c1C)c1ccccc1C)N1CCCc2c(C1)cnn2C	EMOLS-id_101846455	349.43	DOEUOSHXXSTVSK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076990
O=C(Cc1ccc(n2cccc2)cc1)NCc1nnc2n1CCCCC2	CoCoCo_4829141,PC-id_45813066,EMOLS-id_30024865,ZINC22_40510438,MCULE-6020951126	349.43	RLURMJKLLVEUFJ-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-076991
O=C(CCc1ccccc1)N1Cc2nccn2C[C@H](Cn2cccn2)C1	PC-id_97463014,ZINC22_96188580	349.43	GZFAYXSTNAECFG-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076992
O=C(CCc1ccccc1)N1Cc2nccn2C[C@@H](Cn2cccn2)C1	ZINC22_96188581,PC-id_97463015	349.43	GZFAYXSTNAECFG-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076993
O=C(CCc1ccccc1)N1CC(Cn2cccn2)Cn2ccnc2C1	EMOLS-id_44326423	349.43	GZFAYXSTNAECFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-076994
O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_1565515812	349.43	BNVAOQUJKPRKFS-UAGQMJEPSA-N	00000011100000101101000000000110000000000000000000000000	31-01-076995
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Cc1ccc(cc1)n1cncc1	EMOLS-id_318014398	349.43	XCWJIRQSIZDGTC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076996
O=C(N1CCn2c(nnc2Cc2cccnc2)CC1)C1C2CC(C1)C=C2	PC-id_78081245	349.43	BNVAOQUJKPRKFS-UHFFFAOYSA-N	00000011100000101101000000000110000000000000000000000000	31-01-076997
O=C(NCCc1cnn(c2ccccc2)c1)[C@H]1CCc2nccn2CC1	ZINC22_2325804932	349.43	DNRDXUZQFCOWCO-KRWDZBQOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076998
O=C(NCCc1cnn(c2ccccc2)c1)[C@@H]1CCc2nccn2CC1	ZINC22_2325804933	349.43	DNRDXUZQFCOWCO-QGZVFWFLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-076999
O=C(NCCc1nnc2n1CCCCC2)c1ccc(n2cccc2)cc1	MCULE-1789412759,EMOLS-id_30706746,ZINC22_48314826,PC-id_47016874	349.43	BXXMJCUNEWBVEM-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-077000
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cccc2c1nsn2	EMOLS-id_316972915,MCULE-1259025140	349.431	HXKDQANOEKQTAF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-077001
CC(CN1CCN(C(C1=O)C)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102168823	349.431	KEUZUCAPDMYPFR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077002
CC(C(=O)N1CCCN(CC1)C(=O)NC1CCn2c(CC1)nnn2)C	MCULE-4115656174,EMOLS-id_320085948	349.431	PHEKMEHYWAEWNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077003
C[C@@H]1Cc2n[nH]cc2CN(S(=O)(=O)c2cccc3nsnc23)C1	ZINC22_952881933	349.431	HXKDQANOEKQTAF-SECBINFHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-077004
C[C@H]1Cc2n[nH]cc2CN(S(=O)(=O)c2cccc3nsnc23)C1	ZINC22_952881945	349.431	HXKDQANOEKQTAF-VIFPVBQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-077005
O=C(N1CCN(CC1)C1CCOCC1)NC1CCn2c(CC1)nnn2	MCULE-8776418775,EMOLS-id_320171336	349.431	QJJGPYPAPFFVMD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-077006
O=C(NC1CCn2c(CC1)nnn2)NCC1(CCCC1)C(=O)N(C)C	EMOLS-id_102178073	349.431	OHSNWGXLWHXFAV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077007
O=C(NC1CCn2c(CC1)nnn2)NCCC(=O)N1CCCCCC1	EMOLS-id_102174383	349.431	VMWYGUMTUQWHBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077008
O=C(NC1CCn2c(CC1)nnn2)NCC(=O)N(C1CCCCC1)C	EMOLS-id_102182730	349.431	DUAHAHMAPAJFDS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077009
O=C(NC(C(=O)N1CCCCC1C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102179745	349.431	YWKJDSRRSBZHIX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077010
O=S(=O)(c1cc2c(s1)cccc2)NC1CCc2n(CC1)nnn2	EMOLS-id_319641072	349.431	OGCRBNFUXIIODQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-077011
O=S(=O)(c1csc2c1cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102028613	349.431	LTBQKXZZUNVXGV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-077012
c1cnc(NCC[C@H]2CN(Cc3cccnc3)Cc3ccnn3C2)nc1	ZINC22_306131711	349.433	KNPJVJFNHAHVDO-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077013
c1cnc(NCC[C@@H]2CN(Cc3cccnc3)Cc3ccnn3C2)nc1	ZINC22_306131712	349.433	KNPJVJFNHAHVDO-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077014
c1cnc(NCC[C@H]2CN(Cc3ccncc3)Cc3ccnn3C2)nc1	ZINC22_306131124	349.433	JXHKVXFPMUHWJQ-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077015
c1cnc(NCC[C@@H]2CN(Cc3ccncc3)Cc3ccnn3C2)nc1	ZINC22_306131125	349.433	JXHKVXFPMUHWJQ-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077016
Cc1cccc(n1)CN1CCCn2c(C1)c(CNc1ncccn1)nc2	PC-id_97519507	349.433	HFFLUDXSRWICPJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077017
Cc1c(NCc2nnc3n2CCCCC3)nc(nc1C)c1ccncc1	EMOLS-id_45649700,PC-id_71931409	349.433	NHKZMTHWVDYINJ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-077018
Cc1nc(c2cccnc2)nc(NCc2nnc3n2CCCCC3)c1C	ZINC22_95407711,EMOLS-id_48249872,PC-id_75376669,MCULE-1615024804	349.433	QEHCTFCMVQLDPF-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-077019
C(CC1CN(Cc2ccncc2)Cc2ccnn2C1)Nc1ncccn1	EMOLS-id_50371771	349.433	JXHKVXFPMUHWJQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077020
N#Cc1ccc2n(c1)c(CNCCCc1nnc3n1CCCCC3)cn2	PC-id_119136144	349.433	YNKXGTCEBNQYCT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-077021
s1c2CCCCCc2cc1C(=O)NCCC[NH+](CC(F)(F)F)C	PC-id_52609190	349.435	NFODUENZCTVOFH-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-077022
FC(CC(CS(=O)(=O)N1Cc2cnn(c2CC(C1)(C)C)C)C)F	EMOLS-id_319265309	349.44	OHJAYYFFVCSCQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077023
FC(C(CS(=O)(=O)N1Cc2cnn(c2CC(C1)(C)C)C)(C)C)F	MCULE-1947883696,EMOLS-id_319851758	349.44	VIORZPUZLPJYPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077024
Fc1cc(C(c2n3CCCCCCc3nn2)C)ccc1c1ccccc1	PC-id_20724869,SCHEMBL4538060	349.444	OKIYBAPJBBSLRQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077025
Fc1cc(ccc1c1ccccc1)[C@@H](c1nnc2n1CCCCCC2)C	SCHEMBL14587257,PC-id_10405546	349.444	OKIYBAPJBBSLRQ-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077026
COC(=O)CNS(=O)(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_141268906	349.445	CWNJXJZGLFBWRE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-077027
O=C(N1C[C@@H]2[C@](C1)(CCOC2)C(=O)O)c1cc2c(s1)CCCCC2	PC-id_120627556	349.445	UIFPYTNWMMZOAH-SCLBCKFNSA-N	00000010100010000100000000000110000000000000000000000000	31-01-077028
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccc(cc1)OC(C)C	EMOLS-id_318915152	349.448	ATCIKAVAYKGPET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077029
Cc1ccc(C(C)C)c(OCc2nnc3n2CCS(=O)(=O)CC3)c1	PC-id_136557079,MCULE-5576372630,ZINC22_630952139,EMOLS-id_316949834	349.448	YNLPOFFEQMCLQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077030
CC1CN(CCOc2cccc(c2)S(=O)(=O)C)Cc2c(C1)[nH]nc2	EMOLS-id_319763565	349.448	QFGGVICGVUYVCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077031
Cc1nc2c(s1)N(CCCC2)C(=O)c1noc(c1)COC(C)(C)C	MCULE-6481216091,EMOLS-id_319888179	349.448	GIWBAHGMKBOXPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077032
CCc1ccc(cc1)S(=O)(=O)N1CC(COC)Cn2ccnc2C1	EMOLS-id_44325807	349.448	YKSIGFNUNLIZRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077033
CCc1ccc(S(=O)(=O)N2Cc3nccn3C[C@H](COC)C2)cc1	PC-id_97462229,ZINC22_96187774	349.448	YKSIGFNUNLIZRI-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077034
CCc1ccc(S(=O)(=O)N2Cc3nccn3C[C@@H](COC)C2)cc1	ZINC22_96187775,PC-id_97462230	349.448	YKSIGFNUNLIZRI-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077035
CCC1(C)NC(=O)N(C1=O)NC(=O)c1sc2c(c1)CCCCCC2	PC-id_17397836,EMOLS-id_11893802,MCULE-5256349456	349.448	BHWMDTFYOIAYCS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077036
CC[C@]1(C)NC(=O)N(NC(=O)c2cc3c(s2)CCCCCC3)C1=O	CoCoCo_3328230,ZINC22_9498745,PC-id_41095887	349.448	BHWMDTFYOIAYCS-KRWDZBQOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077037
CC[C@@]1(C)NC(=O)N(NC(=O)c2cc3c(s2)CCCCCC3)C1=O	ZINC22_9498741,CoCoCo_3328229,PC-id_41095886	349.448	BHWMDTFYOIAYCS-QGZVFWFLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077038
CC(C)(C)c1ccc(OCc2nnc3n2CCS(=O)(=O)CC3)cc1	MCULE-8107180672,ZINC22_630951623,EMOLS-id_316950090,PC-id_136557080	349.448	MQTMGDGZCSFYAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077039
CCCOc1ccc(cc1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319354199	349.448	UPLLKJLRTATLMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077040
CC(C)OCc1ncn2c1CN(S(=O)(=O)c1ccccc1)CCC2	ZINC22_96085049,EMOLS-id_46183119,PC-id_97405867	349.448	FJQDFFBZJCTDIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077041
CCCS(=O)(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_575404714	349.448	DCWJXBDVUQBBLY-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077042
CCCS(=O)(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_575404715	349.448	DCWJXBDVUQBBLY-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077043
CCCS(=O)(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_55752255	349.448	DCWJXBDVUQBBLY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077044
CCN1CC(CC1=O)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	EMOLS-id_49290903,MCULE-6456463629,PC-id_75493335	349.448	KJEUIQHJLUMGCS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077045
CCN1C[C@H](C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)CC1=O	ZINC22_75541154,PC-id_96007300	349.448	KJEUIQHJLUMGCS-SNVBAGLBSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077046
CCN1C[C@@H](C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)CC1=O	ZINC22_75541157,PC-id_96007303	349.448	KJEUIQHJLUMGCS-JTQLQIEISA-N	00000010100000000100000000000010000000000000000000000000	31-01-077047
CCOc1ccc(cc1C)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319765772	349.448	LYRYLNJFEQQUJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077048
CCOc1ccc(c(c1)C)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319778016	349.448	HPXFWILJFWZUSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077049
CCOc1ccc(cc1S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_319617573	349.448	WDNQTNNWNJMGRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077050
CCOC1CN(Cc2ccc(cc2)S(=O)(=O)C)Cc2ccnn2C1	EMOLS-id_50007850	349.448	MSSSKAQJCVBKRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077051
CCOCC1CN(Cc2cncn2C1)S(=O)(=O)c1cccc(C)c1	EMOLS-id_49233783	349.448	CQHMZYORRDRZBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077052
CCOCC1CN(Cc2nccn2C1)S(=O)(=O)c1cccc(C)c1	EMOLS-id_44325837,PC-id_118740798	349.448	RHQZVOOSHAHVKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077053
CCOCC1CN(Cc2nccn2C1)S(=O)(=O)Cc1ccccc1	PC-id_118740804,EMOLS-id_44325839	349.448	RFUNBDRHIIITJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077054
CCOCCC1CN(Cc2cccn2C1)S(=O)(=O)c1cccnc1	EMOLS-id_313747125	349.448	BMCUFMCUTWUZOY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077055
CCOCC[C@@H]1CN(S(=O)(=O)c2cccnc2)Cc2cccn2C1	ZINC22_585095049	349.448	BMCUFMCUTWUZOY-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077056
CCOCC[C@H]1CN(S(=O)(=O)c2cccnc2)Cc2cccn2C1	ZINC22_585095050	349.448	BMCUFMCUTWUZOY-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077057
CCOC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2cncn2C1	PC-id_97477857,ZINC22_96209730	349.448	CQHMZYORRDRZBZ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077058
CCOC[C@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2cncn2C1	ZINC22_96209729,PC-id_97477856	349.448	CQHMZYORRDRZBZ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077059
CCOC[C@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2nccn2C1	PC-id_97462257,ZINC22_96187804	349.448	RHQZVOOSHAHVKI-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077060
CCOC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2nccn2C1	PC-id_97462258,ZINC22_96187805	349.448	RHQZVOOSHAHVKI-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077061
CCOC[C@H]1CN(S(=O)(=O)Cc2ccccc2)Cc2nccn2C1	PC-id_97462259,ZINC22_96187806	349.448	RFUNBDRHIIITJV-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077062
CCOC[C@@H]1CN(S(=O)(=O)Cc2ccccc2)Cc2nccn2C1	ZINC22_96187807,PC-id_97462260	349.448	RFUNBDRHIIITJV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077063
CCO[C@H]1CN(Cc2ccc(S(=O)(=O)C)cc2)Cc2ccnn2C1	ZINC22_253383835	349.448	MSSSKAQJCVBKRS-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077064
CCO[C@@H]1CN(Cc2ccc(S(=O)(=O)C)cc2)Cc2ccnn2C1	ZINC22_253383836	349.448	MSSSKAQJCVBKRS-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077065
CC(=O)N1CCCC1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-3897949591,EMOLS-id_45633176,PC-id_71944063	349.448	KBMGSVGYDJZUBJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077066
CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_97093002	349.448	KBMGSVGYDJZUBJ-CYBMUJFWSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077067
CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_97093003	349.448	KBMGSVGYDJZUBJ-ZDUSSCGKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077068
CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](Oc2cccnc2)C1	ZINC22_253493895	349.448	VSGRLXPERJZCBX-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077069
CCS(=O)(=O)CCN1Cc2cccn2C[C@H](Oc2cccnc2)C1	ZINC22_253493896	349.448	VSGRLXPERJZCBX-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077070
CCS(=O)(=O)CCN1CC(Cn2cccc2C1)Oc1cccnc1	EMOLS-id_50020142	349.448	VSGRLXPERJZCBX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077071
CNC(=O)C1CCC(NC(=O)c2cc3c(s2)CCCNC3=O)CC1	ZINC22_2325776073	349.448	GUSXTDNHNYWHRI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077072
CN(C(=O)C1CSCN1C(=O)c1noc2c1CCCCC2)C1CC1	EMOLS-id_111828551	349.448	VYSXTPNSPIUTGR-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-077073
COc1ccc(c(c1C)C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948568	349.448	SRDXWMXLMJXVEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077074
COc1ccc(c(c1C)C)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319760939	349.448	RZDUVGNTWWSHTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077075
COc1ccc(cc1)CCS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	MCULE-4857624143,EMOLS-id_320185356	349.448	MMDLGTCQYIQYDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077076
COc1cccc(c1)S(=O)(=O)CCN1CC(C)Cc2c(C1)cn[nH]2	MCULE-6917111274,EMOLS-id_319870925	349.448	ZENRDMSAECJXPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077077
COc1cc(C)c(cc1C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948340	349.448	LNEFGLAWNMGZMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077078
COc1c(C)cc(cc1C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948349	349.448	PRBSILAKDHGTDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077079
COc1cc(C)c(c(c1)C)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318851326	349.448	QKPDUTDQPOZMQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077080
COc1cc(C)c(cc1C)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319380911	349.448	MOJAHTKBDKAPGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077081
COc1c(C)cc(cc1C)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320319552,MCULE-5811064122	349.448	FSGJXGIUACPKFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077082
COc1cc(C)cc(c1S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2)C	EMOLS-id_318838668	349.448	JWURMJKXKDXMLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077083
COc1cc(C)c(c(C)c1C)S(=O)(=O)N1CCCn2cncc2C1	PC-id_56882220,MCULE-6007402306,EMOLS-id_43057780,ZINC22_72121869	349.448	HIZQQKDPHQZAJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077084
COC(c1ccccc1)CS(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_320046566,MCULE-9565980779	349.448	YJUAFLPEVGMQQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077085
COC(c1scc(n1)CN(C(=O)c1noc2c1CCCCC2)C)C	PC-id_121515687,MCULE-9175477554,EMOLS-id_53781625	349.448	KTAHFCYKYLVVBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077086
COCCc1ccc(cc1)S(=O)(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318843484	349.448	SIQMTRBISBOGPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077087
CO[C@@H](C)c1nc(CN(C)C(=O)c2noc3c2CCCCC3)cs1	ZINC22_155648338,PC-id_99701453	349.448	KTAHFCYKYLVVBN-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-077088
CO[C@H](C)c1nc(CN(C)C(=O)c2noc3c2CCCCC3)cs1	ZINC22_155648438,PC-id_99701454	349.448	KTAHFCYKYLVVBN-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077089
COC(=O)N1CCC(=NNC(=O)c2cc3c(s2)CCCCC3)CC1	MCULE-1051806492,PC-id_71890759,EMOLS-id_44538795	349.448	KTMYSRFQHOQBTO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077090
NC(=O)c1c(NC(=O)CCN2CCCC2=O)sc2c1CCCCC2	EMOLS-id_36324884,MCULE-8492707913,ZINC22_67958025,PC-id_53566118	349.448	ZUBHQNSHCYEJKA-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077091
O=C(C1CSCN1C(=O)c1noc2c1CCCCC2)N1CCCC1	EMOLS-id_111828476	349.448	WPBDBVQZFLFMGG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077092
O=C(N1C[C@H]2[C@](C1)(CCC2)C(=O)O)Nc1nc2c(s1)CCCCC2	PC-id_122074609	349.448	GXUSGGVVULVWQP-APPDUMDISA-N	00000010100000000101000000000110000000000000000000000000	31-01-077093
s1c2CCCCCc2cc1C(=O)NNC(=O)CN1CCCCC1=O	PC-id_78870665	349.448	XXZWCRCLZVIZCT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077094
s1c2CCCCCCc2cc1C(=O)NNC(=O)CN1CCCC1=O	PC-id_9426551	349.448	OVFIQPHJTNPERM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077095
S(=O)(=O)(NCC(=O)NN)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194721	349.448	JSADBFHJTYOZEM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-077096
Cc1nc2c(s1)N(CCCC2)C(=O)c1cccc(n1)c1ccccc1	EMOLS-id_318969645	349.449	CYDODPSFBNEBSF-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-077097
Cc1nc2c(s1)N(CCCC2)C(=O)c1cncc(c1)c1ccccc1	EMOLS-id_318953391	349.449	DEZUXSSLJOTKMK-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-077098
Cc1nc2c(s1)N(CCCC2)C(=O)c1nccc(c1)c1ccccc1	EMOLS-id_318786774	349.449	XMSHSZFNWOYYFS-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-077099
COc1cc2c(cc1)[nH]cc2/C=N/c1c(c2c(s1)CCCCC2)C#N	PC-id_137224984	349.449	HVAVSZMTOBWYKK-FSJBWODESA-N	00000000100000100100000001100010000000000000000000000000	31-01-077100
N#CC(c1nc2c(n1C)cccc2)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_97898807	349.449	JKFCWDXZKHXFCC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-077101
c1(N2CCOCC2)sc(cn1)CN1CCCn2nc(CO)cc2C1	EMOLS-id_55706452,MCULE-3551471153,PC-id_91795983	349.451	QGENRXZTQJUOCG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-077102
CC1Cc2c(CN(C1)S(=O)(=O)c1cn(nc1)C1CCCC1)cn[nH]2	PC-id_136560622	349.451	BYVYMNWGPFJTBE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-077103
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1ccnn1CC1CCC1	EMOLS-id_319851130,MCULE-1173876843	349.451	WSFSTQKKKSTFAF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-077104
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1cnn(c1)CC1CCC1	EMOLS-id_320021306,MCULE-9905839438	349.451	PAHUEOGKZLLYEU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-077105
CC1Cc2[nH]ncc2CN(C1)S(=O)(=O)c1n(C)nc2c1CCCC2	EMOLS-id_319738970	349.451	YXXLPVDCDIYCFW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-077106
Cc1cc(C)c(c(c1C)S(=O)(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102026455	349.451	QWDBFMUPRIWJBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077107
Cc1cccc(CN2Cc3ccnn3C[C@@H](CNS(=O)(=O)C)C2)n1	ZINC22_306134904	349.451	OBEHPVYSPKODSH-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077108
Cc1cccc(CN2Cc3ccnn3C[C@H](CNS(=O)(=O)C)C2)n1	ZINC22_306134905	349.451	OBEHPVYSPKODSH-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077109
Cc1cccc(CN2CCCn3cnc(CNS(=O)(=O)C)c3C2)n1	PC-id_97519528,ZINC22_96259444,EMOLS-id_44370442	349.451	XANBBTXXUJAIHQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077110
Cc1cccc(CN2CC(CNS(=O)(=O)C)Cn3nccc3C2)n1	EMOLS-id_50375191	349.451	OBEHPVYSPKODSH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077111
Cc1csc(=O)n1CCC(=O)N[C@H](C)c1nnc2n1CCCCC2	ZINC22_29898223	349.451	BNBGZBCELWFJJN-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077112
Cc1csc(=O)n1CCC(=O)N[C@@H](C)c1nnc2n1CCCCC2	ZINC22_29898227	349.451	BNBGZBCELWFJJN-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077113
Cc1ncsc1CN1Cc2ccnn2C[C@@H](OCC(=O)N(C)C)C1	ZINC22_247968464	349.451	GYASVGNUWPKQFK-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077114
Cc1ncsc1CN1Cc2ccnn2C[C@H](OCC(=O)N(C)C)C1	ZINC22_247968469	349.451	GYASVGNUWPKQFK-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077115
Cc1onc(n1)C(NC(=O)Nc1sc2c(n1)CCCCCC2)(C)C	EMOLS-id_101103914	349.451	BTPPPQGDFOJQDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077116
CC(c1ccc(cc1)S(=O)(=O)NC1CCn2c(CC1)nnn2)(C)C	EMOLS-id_102026491	349.451	QBGDWDUZFFPCJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077117
CC(C)(C)c1cc(NC(=O)CSc2nnc3n2CCCCC3)on1	PC-id_9208421,CoCoCo_3968355,EMOLS-id_11714325,MCULE-4156692320,ZINC22_8075611	349.451	BGFKHLRKUKRMGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077118
CCCS(=O)(=O)N1CCc2ncc(CNc3ccccn3)n2CC1	EMOLS-id_44329181,ZINC22_96197131,PC-id_97467273	349.451	QHZXHMRRAOPIGZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077119
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cnn(c1)C1CCCC1	EMOLS-id_316618807	349.451	WEAZLQQTOOSENE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-077120
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cnn(c1)CC1CCC1	EMOLS-id_319021581	349.451	ISZXSHSQBBAKKB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-077121
CN(Cc1ccccc1)S(=O)(=O)NCc1cc2CNCCCn2n1	MCULE-7319167909,ZINC22_82120053,PC-id_70746425,EMOLS-id_44438167	349.451	LYSNTZRLSPTFJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077122
CN(C)CCOCc1nnn2c1CN(C(=O)c1cccs1)CCC2	EMOLS-id_46147965,ZINC22_96058834,PC-id_97381491	349.451	GHIVLEICOCIZSG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-077123
CN(C)CCOCc1nnn2c1CN(C(=O)c1ccsc1)CCC2	PC-id_97405170,EMOLS-id_46181695,ZINC22_96084343	349.451	FDSRVQYYEOYAKK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-077124
CN(C)CCOC[C@H]1CN(C(=O)c2cscn2)Cc2ccnn2C1	PC-id_97463395,ZINC22_96188976	349.451	YCYXMYUHDLKEOJ-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077125
CN(C)CCOC[C@@H]1CN(C(=O)c2cscn2)Cc2ccnn2C1	PC-id_97463396,ZINC22_96188977	349.451	YCYXMYUHDLKEOJ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077126
CN(CCOCC1CN(Cc2n(C1)ncc2)C(=O)c1cscn1)C	PC-id_118739414	349.451	YCYXMYUHDLKEOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077127
CN(C)C(=O)COC1CN(Cc2scnc2C)Cc2ccnn2C1	EMOLS-id_50009072	349.451	GYASVGNUWPKQFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077128
CN(C)C(=O)COCC1CN(Cc2nccs2)Cc2ccnn2C1	EMOLS-id_44326991	349.451	NWSXQHYGFMJEHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077129
CN(C)C(=O)COCC1CN(Cc2nccs2)Cc2nccn2C1	EMOLS-id_46148477	349.451	HKZXSUCIZRJZQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077130
CN(C)C(=O)COC[C@H]1CN(Cc2nccs2)Cc2ccnn2C1	ZINC22_96189064,PC-id_97463481	349.451	NWSXQHYGFMJEHG-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077131
CN(C)C(=O)COC[C@@H]1CN(Cc2nccs2)Cc2ccnn2C1	ZINC22_96189065,PC-id_97463482	349.451	NWSXQHYGFMJEHG-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077132
CN(C)C(=O)COC[C@H]1CN(Cc2nccs2)Cc2cncn2C1	PC-id_97477315,ZINC22_96209188	349.451	KEVSDVRGSWORRE-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077133
CN(C)C(=O)COC[C@@H]1CN(Cc2nccs2)Cc2cncn2C1	ZINC22_96209189,PC-id_97477316	349.451	KEVSDVRGSWORRE-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077134
CN(C)C(=O)COC[C@@H]1CN(Cc2nccs2)Cc2nccn2C1	PC-id_97381781,ZINC22_96059128	349.451	HKZXSUCIZRJZQO-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077135
CN(C)C(=O)COC[C@H]1CN(Cc2nccs2)Cc2nccn2C1	ZINC22_96059127,PC-id_97381780	349.451	HKZXSUCIZRJZQO-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077136
CN(C(=O)C1CSCN1C(=O)C1CCn2c(CC1)nnc2)C1CC1	EMOLS-id_278135370	349.451	DWIPXXGSPPQCLK-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-077137
COCCn1ccc(n1)NC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098577	349.451	QWUDVZCRRFJSIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077138
COCCn1cc(NC(=O)Nc2nc3c(s2)CCCCCC3)cn1	ZINC22_194508053,EMOLS-id_316925253,PC-id_136540278,MCULE-7356749073	349.451	GEOKSNFMIXLLLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077139
COCCNC(=O)C1CN(Cc2csc(C)n2)Cc2ccnn2C1	PC-id_118744995,EMOLS-id_44326649,CHEMBL3554247	349.451	VGSINSGJKDJRLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077140
COCCNC(=O)[C@@H]1CN(Cc2csc(C)n2)Cc2ccnn2C1	PC-id_97463223,ZINC22_96188792	349.451	VGSINSGJKDJRLZ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077141
COCCNC(=O)[C@H]1CN(Cc2csc(C)n2)Cc2ccnn2C1	ZINC22_96188793,PC-id_97463224	349.451	VGSINSGJKDJRLZ-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077142
COCC(=O)NCC1CN(Cc2nc(C)cs2)Cc2ccnn2C1	EMOLS-id_50376693	349.451	XVAZTGDWUGJMCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077143
COCC(=O)NC[C@@H]1CN(Cc2nc(C)cs2)Cc2ccnn2C1	ZINC22_247982111	349.451	XVAZTGDWUGJMCW-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077144
COCC(=O)NC[C@H]1CN(Cc2nc(C)cs2)Cc2ccnn2C1	ZINC22_247982114	349.451	XVAZTGDWUGJMCW-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077145
O=C(N1CC(COCc2csc(n2)C)Cn2c(C1)ncc2)N(C)C	PC-id_118744577	349.451	KCQIETRVLHPEOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077146
O=C(NC(c1nnc2n1CCCCC2)C)CCn1c(C)csc1=O	PC-id_53505258,EMOLS-id_35699500,MCULE-3649615440	349.451	BNBGZBCELWFJJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077147
O=C(NCC(c1cccs1)(O)C)NCc1nnc2n1CCCCC2	PC-id_111440827	349.451	LWEVEQOSYFPCRA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-077148
O=C(NCC(c1ccsc1)(O)C)NCc1nnc2n1CCCCC2	PC-id_111450426	349.451	KFJOUZCIZQEMAG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-077149
O=C(NCC(c1ccsc1)O)NCCc1nnc2n1CCCCC2	PC-id_111440833	349.451	KGCCBCBHXKVENH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-077150
c12CN(CCCn1nc(C#N)c2)Cc1cnc(c2ccccc2C)s1	EMOLS-id_32437108,PC-id_50984712,MCULE-5199933266,ZINC22_65532176	349.453	AJJHWGRWKAHPDC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077151
c1(C(C(C)C)NC(=O)c2snnc2CC)nnc2CCNCCn12	EMOLS-id_36464657,PC-id_56722038,MCULE-8555080252	349.454	XLDJMSSJQBXKGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077152
Cc1sc(c(n1)C)C(N(C(=O)NC1CCn2c(CC1)nnn2)C)C	EMOLS-id_102163228	349.454	NMRHCQSMPUMVFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077153
CCc1nnsc1C(=O)N[C@H](c1nnc2n1CCNCC2)C(C)C	PC-id_95229217,ZINC22_67966894	349.454	XLDJMSSJQBXKGG-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077154
CCc1nnsc1C(=O)N[C@@H](c1nnc2n1CCNCC2)C(C)C	ZINC22_67966892,PC-id_95229216	349.454	XLDJMSSJQBXKGG-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077155
CN(C(=O)Cn1c(nnc1C)SCc1nnc2n1CCCCC2)C	EMOLS-id_99184285	349.454	LKCYOGLGILHFOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077156
CN(C(=O)Nc1snc(n1)C(C)C)Cc1nnc2n1CCCCC2	EMOLS-id_319700003	349.454	RDEMLTZAPZUXJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077157
s1c(nnc1NC(=O)CNCc1n2CCCCCc2nn1)CCC	PC-id_50949824	349.454	JLCXZZSHRACEKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077158
FC(C1CCC(CC1)S(=O)(=O)N1CCCc2c(C1)ccs2)F	EMOLS-id_319602649	349.46	RGVJAPYZQZUXAP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077159
c12CCCCCCCCCCc1c(C(=O)OCC)[nH]c2COC(=O)C	PC-id_361647,NSC624865,CoCoCo_5682265,ZINC22_1617898,MCULE-4036480652	349.464	QXSITRBXWYTNOD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-077160
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c1(NC(=O)c2cccs2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-9309704989,BAS-00486856,PC-id_692960,ZINC22_64693,CoCoCo_81782,EMOLS-id_1231033,ChEMBL-DNDi_CHEMBL5585067	349.468	YSOAQHFSLOASSQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-077162
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CN(C(=O)c1cc2c(s1)CCCCC2)S(=O)(=O)c1ccccc1	PC-id_72049467,EMOLS-id_42954130,MCULE-7204232392,ZINC22_75119226	349.468	MDCXUYQOTIEWGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077167
COCCNC(=O)CC1CN(CC2CCOCC2)Cc2cccn2C1	EMOLS-id_313812002	349.468	FJUSWRXLOHMAJG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077168
COCCNC(=O)C[C@H]1CN(CC2CCOCC2)Cc2cccn2C1	ZINC22_585099037	349.468	FJUSWRXLOHMAJG-KRWDZBQOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077169
COCCNC(=O)C[C@@H]1CN(CC2CCOCC2)Cc2cccn2C1	ZINC22_585099038	349.468	FJUSWRXLOHMAJG-QGZVFWFLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077170
COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCCCC2	EMOLS-id_45636947,MCULE-1610080734,PC-id_30515227,ZINC22_22673034	349.468	ZMQKKQQZOKYKEA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-077171
COC(=O)c1c(NC(=O)Cc2cscc2)sc2c1CCCCC2	PC-id_112831066	349.468	JUSILLBDSPWYPS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-077172
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s1c2CCCCCc2cc1C(=O)Nc1ccc(S(=O)(=O)C)cc1	PC-id_51154627	349.468	AEXZWJQFWKJPMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077174
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)C)ccc1	PC-id_9071395	349.468	VQDVPXSRYXPWIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077175
s1c2CCCCCc2cc1C(=O)OCC(=O)NCc1sccc1	PC-id_7649907	349.468	CRYOEDSQLBUFHW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-077176
CC1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87588549	349.469	REHHLIHEXRKXND-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-077177
CC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3875495,PC-id_136651819	349.469	HGLXWWMNMRAQOQ-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-077178
CC1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3881508,PC-id_136044497	349.469	HGLXWWMNMRAQOQ-FYJGNVAPSA-N	00000011110000000100100000000010000000000000000000000000	31-01-077179
CCC1CCCCCCc2cc1c([nH]2)C=C1C(=O)CC(=C2C=CC=N2)N1	PC-id_91219463	349.469	GLRWDOGVLPHULA-UHFFFAOYSA-N	00000011100000000100100000000010000000000000000000000000	31-01-077180
CCC1CCCCCCc2cc1c([nH]2)C=C1C(=O)CC(=N1)c1ccc[nH]1	PC-id_136492175	349.469	ZJAMGNMOUDNPAU-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-077181
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CCCC1C=CC=c2c(=C1)ccn2Cc1occ(c1)C(=N)N1CCCC1	SCHEMBL18978114	349.469	MJXNKGFNCBFTKB-UHFFFAOYSA-N	00000010101000000110000000000010000000000000000000000000	31-01-077184
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C[C@@H]1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3875491,PC-id_136414758	349.469	HGLXWWMNMRAQOQ-NWGMWSOJSA-N	00000011110000000100100000000010000000000000000000000000	31-01-077187
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CCOc1cc(=C2C=CC=N2)[nH]c1=Cc1c2CCCCCCCc(c2)[nH]1	PC-id_87589113	349.469	JADQHOSSOUOFNE-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-077189
CCOC1=CC(=NC1=Cc1c2CCCCCCCc(c2)[nH]1)c1ccc[nH]1	PC-id_136627941	349.469	TWUOEQYJSCGMRA-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-077190
CCOC1=CC(=N/C/1=C/c1c2CCCCCCCc(c2)[nH]1)c1ccc[nH]1	SCHEMBL3881138,PC-id_136414807	349.469	TWUOEQYJSCGMRA-KGENOOAVSA-N	00000011110000000100100000000010000000000000000000000000	31-01-077191
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COc1cc(=C2C=CC=N2)[nH]c1=Cc1c2CCCCCCCCc(c2)[nH]1	PC-id_87588724	349.469	NOEMBWPBORAXRU-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-077193
COc1cc(=C2C=CC=N2)[nH]c1=CC1CCCCCCCc2cc1c[nH]2	PC-id_88014099	349.469	LDZBCEWZIKSNPM-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-077194
COC1=CC(=N/C/1=C/c1c2CCCCCCCCc(c2)[nH]1)c1ccc[nH]1	SCHEMBL3877408,PC-id_136414776	349.469	ZKWYPYNZZFGISJ-KGENOOAVSA-N	00000011110000000100100000000010000000000000000000000000	31-01-077195
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COC1=CC(=NC1=CC1CCCCCCCc2cc1c[nH]2)c1ccc[nH]1	SCHEMBL6582063,PC-id_136346263	349.469	XEHQMIAWJHQAOS-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-077197
COC1=CC(=N/C/1=C/c1[nH]c2cc1CCCCCCC2)c1cccn1C	PC-id_70161579,SCHEMBL7683324	349.469	IDESAFHZYIXOIZ-XSFVSMFZSA-N	00000011110000000100100000000010000000000000000000000000	31-01-077198
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CC1CCC(C(C1)OCC(=O)NC1CCn2c(CC1)nnn2)C(C)C	EMOLS-id_102166354	349.471	LMDJGZZNGKRYCD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077214
Cc1ccc(s1)C(=O)NCC(=O)N1CCCCc2c1sc(n2)C	EMOLS-id_318820051	349.471	GGGXIGWMKJPJNT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-077215
Cc1csc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)c1	ZINC22_1565554968,EMOLS-id_313792818	349.471	MIBYWBMLRCLZCK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-077216
Cc1nc2c(s1)N(CCCC2)C(=O)c1csc(n1)C1CCCO1	MCULE-4715566873,EMOLS-id_320173872	349.471	IXXNMCKRWBZSMO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-077217
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CCC1CCCCN1CCNC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_53598917,MCULE-4735028994,EMOLS-id_36714949	349.471	NWNVZJFFWGMEQJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077219
CCC1(CO)CCN(CC1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_109899877	349.471	WUXSRXDHHLFQHX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077220
CCC(c1nnc2n1CCCCC2)NC(=O)N1CCC(CC1)(C)CO	EMOLS-id_111157603	349.471	UOYCPOIFTATJFE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077221
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CCOC(C1)(C)C	EMOLS-id_110339251	349.471	DTZPMXLCIHIPSC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077222
CCC(c1nnc2n1CCCCC2)NC(=O)NCCC1CCCCO1	EMOLS-id_99162154	349.471	PGUPYEPDTYRYIS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077223
CCC(C1OCCC(C1)NC(=O)N1CCCn2c(C1)cc(n2)N)CC	EMOLS-id_319777930	349.471	TXIHKLQFNIGSGO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077224
CC(C)C[C@@H](NC(=O)[C@H]1CC[C@@H](O)CC1)c1nnc2n1CCNCC2	ZINC22_244742097	349.471	OBYATSGQSCXLNI-QLFBSQMISA-N	00000000100010000101000000000010000000000000000000000000	31-01-077225
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CC(C)(C)OC(=O)N1CCC[C@@H](NCc2nnc3n2CCCCC3)C1	PC-id_97341131,ZINC22_95995495	349.471	WKCHCNPMLMALFX-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077231
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CC(C)[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)N1CCCC1	ZINC22_95348954,PC-id_97185009	349.488	ROKZEACUCKZVTK-KRWDZBQOSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077329
CC(C)[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)N1CCCC1	ZINC22_95348955,PC-id_97185010	349.488	ROKZEACUCKZVTK-QGZVFWFLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077330
CC(C(C(=O)N1CCCC1)OC(=O)c1cc2c(s1)CCCCC2)C	PC-id_75414011,MCULE-2883802464,EMOLS-id_48211028	349.488	ROKZEACUCKZVTK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077331
O=C(N[C@H]1CCOC[C@@H]1OCC1CC1)c1cc2c(s1)CCCCC2	ZINC22_1565528848	349.488	NMMULLINOXUZMY-HOTGVXAUSA-N	00100000100010000100000000000010000000000000000000000000	31-01-077332
OC(=O)CCC1CCCN(C1)C(=O)c1sc2c(c1)CCCCCC2	PC-id_120248270,EMOLS-id_51376184,MCULE-3424200665	349.488	SAJJWCZQRWFJEV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077333
s1c2CCCCCc2cc1C(=O)OCC(=O)NC1C(CCCC1)C	PC-id_16509414	349.488	BITNDAJIVCPXQH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077334
s1c2CCCCCc2cc1C(=O)OCC(=O)NC1CCC(CC1)C	PC-id_7352025	349.488	UVEXYWWYBOFNAC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077335
s1c2CCCCCc2cc1C(=O)OC(C(=O)NC1CCCCC1)C	PC-id_78474833	349.488	RYCZKOIKBUMLTA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077336
s1c2CCCCCc2cc1C(=O)OCC(=O)NC1CCCCCC1	PC-id_7352138	349.488	RLXRJHKCLKWYCX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-077337
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC1CCCCC1	PC-id_16509480	349.488	YPNCIGLNQQTBKN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077338
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)NC1CCCCC1)C	PC-id_7352055	349.488	RYCZKOIKBUMLTA-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077339
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)NC1CCCCC1)C	PC-id_7352057	349.488	RYCZKOIKBUMLTA-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077340
s1c2c(CCCCC2)c(c1NC(=O)C1CCCC1)C(=O)OCCC	PC-id_3329368	349.488	HJARTKYRZOFTCJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077341
s1c2c(CCCCC2)c(c1NC(=O)C1CCCCC1)C(=O)OCC	PC-id_3353628	349.488	RGUZQXUPBXRKIR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077342
s1c2c(CCCCC2)c(c1NC(=O)CCC1CCCC1)C(=O)OC	PC-id_3670048	349.488	ZFNBWVBQSOIJBZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077343
s1c2c(CCCCCC2)cc1C(=O)N1CCC(CC1)C(=O)OCC	PC-id_78780342	349.488	ZEOZEMPHSVAMEH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077344
s1c2CCCCCCc2cc1C(=O)OC(C(=O)NC1CCCC1)C	PC-id_18269194	349.488	BYUXADXONBZFGK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077345
s1c2c(CCCCCC2)c(c1NC(=O)C1CCCCC1)C(=O)OC	PC-id_3674458	349.488	REMFZOHCOLEQHN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077346
s1c(C(=O)N2C(CCCC2)C2OCCO2)cc2c1CCCCCC2	PC-id_56349043	349.488	ZIXYVFNQLJRSKS-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-077347
s1c(C(=O)N2CCC(CC2)C2OCCO2)cc2c1CCCCCC2	PC-id_56349319	349.488	ZQTAHKQBZKOEML-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-077348
s1c(NC(=O)C2C(C2(C)C)(C)C)c(c2c1CCCCC2)C(=O)OC	PC-id_23972684	349.488	ODHNWDVJXLTGGK-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-077349
c1(C(O)C2CCC2)cc2n(CCCN(C(=O)CSCC3CC3)C2)n1	PC-id_90649006,MCULE-7461810558,EMOLS-id_50531941	349.491	ZKVGHROPLCZRQE-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-077350
c1(NC(=O)CCC(=O)N2CCC(CC2)C)sc2c(CCCCC2)n1	EMOLS-id_334712994,MCULE-8304006499	349.491	OMVANHGWCZSOAM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077351
c1(NC(=O)CCC(=O)N2CCCCC2C)sc2c(CCCCC2)n1	MCULE-3865428909,EMOLS-id_334728617	349.491	VSNKJOVWBAWKNX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077352
c1(NC(=O)CCC(=O)N2CCCCCC2)sc2c(CCCCC2)n1	EMOLS-id_334707369,MCULE-1884005904	349.491	DAEFJYLHMBZQST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077353
c1(NC(=O)CCC(=O)N2CCCC(C)C2)sc2c(CCCCC2)n1	EMOLS-id_334720682,MCULE-7580033922	349.491	IEVFPLAIVWTHGL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077354
c1(NC(=O)CCC(=O)NC2CCCCC2)sc2c(CCCCC2)n1	MCULE-4918415303,EMOLS-id_334889441	349.491	IRKLJRWXOGRHKI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077355
CC1CCC(C(C1)C)NC(=O)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111808144	349.491	IRBGPHPYZQWIFG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077356
CC1CCCC(C1C)NC(=O)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111808337	349.491	MFKOMOPNOZPUQQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077357
CC1CCC(CC1C)NC(=O)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111813791	349.491	JRICIRSPVLHLDP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077358
CCC1CN(CC1N(C)C)C(=O)CN1C(=O)CCCc2c1ccs2	EMOLS-id_45654637,PC-id_71927875,MCULE-6215995320	349.491	ZNLFVKNZDIKRER-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077359
CCCCC1CCC(CC1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625312	349.491	RPPTXLHOZNJWOV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077360
CCCC(=O)N1CCCC(C1)C(=O)N1CCCCc2c1sc(n2)C	MCULE-6942372259,EMOLS-id_320084351	349.491	RTKDLMCQLCLVGI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077361
CC(C)C(=O)N1CCC(C(=O)Nc2nc3c(s2)CCCCC3)CC1	EMOLS-id_53749720,MCULE-1211547174,ZINC22_25946984	349.491	XRYZVWFYXZWDEW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077362
CC[C@@H]1CN(C(=O)CN2C(=O)CCCc3sccc23)C[C@@H]1N(C)C	PC-id_97096907,ZINC22_89948421	349.491	ZNLFVKNZDIKRER-HIFRSBDPSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077363
CC[C@H]1CN(C(=O)CN2C(=O)CCCc3sccc23)C[C@@H]1N(C)C	PC-id_97096908,ZINC22_89948422	349.491	ZNLFVKNZDIKRER-ZFWWWQNUSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077364
CC[C@@H]1CN(C(=O)CN2C(=O)CCCc3sccc23)C[C@H]1N(C)C	PC-id_97096909,ZINC22_89948423	349.491	ZNLFVKNZDIKRER-UKRRQHHQSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077365
CC[C@H]1CN(C(=O)CN2C(=O)CCCc3sccc23)C[C@H]1N(C)C	ZINC22_89948424,PC-id_97096910	349.491	ZNLFVKNZDIKRER-DZGCQCFKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077366
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CCC(=O)N1CCCC(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110650738	349.491	WVXKKLRDGGFUFS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077369
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CCC(=O)N1CC[C@@H](NC(=O)NCc2cc3c(s2)CCCCC3)C1	PC-id_97227583,ZINC22_95417115	349.491	CPRPUMDPDKSWOW-CQSZACIVSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077370
CCC(=O)N1CC[C@H](NC(=O)NCc2cc3c(s2)CCCCC3)C1	ZINC22_95417114,PC-id_97227582	349.491	CPRPUMDPDKSWOW-AWEZNQCLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-077371
C[C@H]1CC[C@@H](CC1)C(=O)N1CCc2nc(sc2CC1)C(=O)N(C)C	EMOLS-id_313792820,ZINC22_1565555395	349.491	ZVKXXFMWTMGIMQ-JOCQHMNTSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077372
CCN(CC(O)(C)C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_111332585	349.491	UYPKTUANIMKOFW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-077373
CCNC(=O)CN1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	PC-id_86923264	349.491	BWWAIPBSEKKEAU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077374
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CNC(=O)CN1CCC(NC(=O)c2cc3c(s2)CCCCC3)CC1	PC-id_32527055,MCULE-6279606753,CoCoCo_4836040,CoCoCo_4836041,EMOLS-id_31903302,ZINC22_25231583	349.491	LKCWXWPHHPCPIX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077377
CNC(=O)CN1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110350431,PC-id_60529387	349.491	WHWRLZOOPPXWST-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077378
N#Cc1c(NC(=O)CN(C(C)C)CC(O)C)sc2c1CCCCC2	PC-id_111107779	349.491	MQGBXIMXHKFPIB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-077379
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O=C(C1COCCN1C1CCCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98955763	349.491	IFCHFBRPOIPKSA-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-077387
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O=C(Cn1c(=O)sc2c1CCCCC2)NC1CCN(CC1)C1CC1	MCULE-8723227260,EMOLS-id_45674513,PC-id_71917034	349.491	PDSTVQZIMYLPIM-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-077389
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s1c2CCCCCc2nc1NC(=O)CNC(=O)CC1CCCCC1	PC-id_56271270	349.491	FRYYQSIMDKBNSK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077401
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s1c2CCCCCCc2nc1NC(=O)C(N1CCCC1=O)C(C)C	PC-id_56256394	349.491	PEVOBMCTPHNBOF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077403
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Cc1ccc(CN2CCc3nnc(COCCN(C)C)n3CC2)s1	EMOLS-id_46148031,ZINC22_96058867,PC-id_97381524	349.494	JFSCLOJVFSXXCF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-077405
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c12CN(CCCn1nc(CCC(=O)NCCN(C)C)c2)CC(C)(C)C	ZINC22_91973851,PC-id_72843617,MCULE-9286451235,EMOLS-id_46029409	349.514	RXUWVFFHNAMUKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077412
c1(sc2c(CCCCC2)n1)NC(=O)C(CCSC)n1cccc1	MCULE-6615729523,PC-id_121239056,EMOLS-id_93420938	349.514	UBQXTJLTPCZCDR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-077413
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c1(sc(nc1CCCC)C)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323479194,MCULE-7988538865	349.514	VIYAEKFMFOKIFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077415
CSCC[C@@H](C(=O)Nc1nc2c(s1)CCCCC2)n1cccc1	ZINC22_575443385	349.514	UBQXTJLTPCZCDR-AWEZNQCLSA-N	00000000110000000101000000000010000000000000000000000000	31-01-077416
N#Cc1c(NC(=O)CN2CCCSCC2)sc2c1CCCCC2	EMOLS-id_110461400	349.514	SITUIEBBCKHCAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077417
N#Cc1c(NC(=O)CN2CCSCC2C)sc2c1CCCCC2	EMOLS-id_111086394	349.514	UIULHWBWVWODQY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077418
N#Cc1c(NC(=O)C(N2CCSCC2)C)sc2c1CCCCC2	EMOLS-id_98535871	349.514	INDQFUJBWVVLBB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077419
O=C(N1CCCCc2c1sc(n2)C)Cc1csc(n1)C(C)(C)C	EMOLS-id_318866427	349.514	MVLCNADSMIPRGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077420
O=C(N1CCCCc2c1sc(n2)C)Cc1nc(c(s1)C)C(C)C	EMOLS-id_319924528,MCULE-6819059577	349.514	UAJRHOFSHBBYFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077421
O=C(NC(c1n2CCN(CC(CC)CC)CCc2nn1)CC(C)C)C	PC-id_56856194	349.514	JBEBPJMTVMPQCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077422
s1c2CCCCCc2cc1C(=O)Nc1sc(nn1)C(CC)CC	PC-id_22829739	349.514	UHOFTRUXYDSXSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077423
s1c2CCCCCc2nc1NC(=O)c1sc(nc1C)CCCC	PC-id_55686031	349.514	VAESHPGBIMVQIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077424
s1c2CCCCCc2nc1NC(=O)c1sc(nc1C)C(C)(C)C	PC-id_56212035	349.514	IGAOQNODXPBQDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077425
s1c2CCCCCc2nc1NC(=O)c1sc(nc1C)CC(C)C	PC-id_56442917	349.514	SUWHFSBEDMWXTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077426
s1c2CCCCCCc2nc1NC(=O)c1sc(nc1C)C(C)C	PC-id_56021729	349.514	DDQHIAJPIVIIRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077427
s1c2CCCCCCc2nc1NC(=O)c1sc(nc1)C(C)(C)C	PC-id_56070732	349.514	HSYBFRMRAUUIMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077428
CN=C(NCc1nnc2n1CCCCC2)NCCN(C(C)C)C(C)C	PC-id_111247675	349.517	OHVZGLLMMBGONZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077429
C/C=C/CCC1=CC=CC(C=C1C)CSc1cc2c([nH]1)CC=CC=C2	PC-id_142052425	349.532	ATKWZJWIXNILGD-ONEGZZNKSA-N	00000000100000000110000000000010000000000000000000000000	31-01-077430
c12N(CCCCc1cc(C(=O)NCCN1CCCCC1C)s2)CC	EMOLS-id_97020844,MCULE-1559646468	349.534	AAIMUPDKZLWWMR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077431
c12N(CCCCc1cc(C(=O)NCCN(C)C1CCCCC1)s2)C	EMOLS-id_97031180,MCULE-2335791702	349.534	DAVNQENZJJGKHC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-077432
CCN1CCN(CC1)CCCNC(=O)c1csc2c1CCCCC2	CHEMBL1313935,CoCoCo_2171591,ChEMBL-DNDi_CHEMBL1313935,CoCoCo_2171592,PC-id_3244633	349.534	MEDNNPLNMHHDHL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077433
C[NH+]([C@H](c1cscc1)CNC(=O)c1cc2c(s1)CCCCC2)C	PC-id_32631637,GD-id_ZINC25330315	349.534	BNNAOHCKXWDBOK-HNNXBMFYSA-O	00000000100100000100000000000010000000000000000000000000	31-01-077434
s1c2CCCCCc2cc1C(=O)NC[C@@H]([NH+](C)C)c1ccsc1	PC-id_32631639	349.534	BNNAOHCKXWDBOK-OAHLLOKOSA-O	00000000100100000100000000000010000000000000000000000000	31-01-077435
s1c2CCCCCc2cc1C(=O)NCC([NH+](C)C)c1ccsc1	PC-id_74627156	349.534	BNNAOHCKXWDBOK-UHFFFAOYSA-O	00000000100100000100000000000010000000000000000000000000	31-01-077436
s1c2CCCCCCc2cc1C(=O)NCCCN1CCN(CC1)C	PC-id_78813367	349.534	KXNWUXLECNXPAM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077437
s1c2CCCCCCCCCCc2nc1NC(=O)CN1CCCC1	PC-id_30376686	349.534	SPLYUSGZOTWCDG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077438
s1c2c([C@H]([NH+](CC2)Cn2nc3n(c2=S)CCCCC3)CC)cc1	PC-id_9320506	349.537	ZEBXUSOXYVFFHC-CQSZACIVSA-O	00000000100010000101000000010010000000000000000000000000	31-01-077439
s1c2c([C@@H]([NH+](CC2)Cn2nc3n(c2=S)CCCCC3)CC)cc1	PC-id_9320510	349.537	ZEBXUSOXYVFFHC-AWEZNQCLSA-O	00000000100010000101000000010010000000000000000000000000	31-01-077440
s1c2c(C([NH+](CC2)Cn2nc3n(c2=S)CCCCC3)CC)cc1	PC-id_84980529	349.537	ZEBXUSOXYVFFHC-UHFFFAOYSA-O	00000000100010000101000000010010000000000000000000000000	31-01-077441
C[C@@H]1CCC[C@H]([N@H+]1CCCNC(=O)c1csc2c1CCCCC2)C	GD-id_ZINC05070468	349.554	DRXWSZZXLAXBAT-HZPDHXFCSA-O	00000000100010000100000000000010000000000000000000000000	31-01-077442
C[C@@H]1C[C@H](C)C[N@@H+](C1)CCCNC(=O)c1csc2c1CCCCC2	GD-id_ZINC15943792	349.554	PEGBPTHNDSZBQP-IYBDPMFKSA-O	00000000100010000100000000000010000000000000000000000000	31-01-077443
CC([N@@H+]1CC[C@H](CC1)N(C(=O)c1sc2c(c1)CCCCCC2)C)C	GD-id_ZINC43115487	349.554	PPLRCETZVQDXNT-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-077444
s1c2c(CCCCC2)cc1C(=O)NCCCC[NH+]1C(CCCC1)C	PC-id_75882043	349.554	VMJQANUUBXIHSU-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-077445
s1c2CCCCCc2cc1C(=O)NCCCC[NH+]1CC(CCC1)C	PC-id_75882136	349.554	ZYLNJQGMWZGXNY-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-077446
s1c2CCCCCc2cc1C(=O)NCCCC[NH+]1C[C@@H](CCC1)C	PC-id_52611166	349.554	ZYLNJQGMWZGXNY-MRXNPFEDSA-O	00000000100010000100000000000010000000000000000000000000	31-01-077447
s1c2CCCCCc2cc1C(=O)NCCCC[NH+]1C[C@H](CCC1)C	PC-id_52611168	349.554	ZYLNJQGMWZGXNY-INIZCTEOSA-O	00000000100010000100000000000010000000000000000000000000	31-01-077448
s1c2c(CCCCC2)cc1C(=O)NCCCC[NH+]1[C@@H](CCCC1)C	PC-id_52610974	349.554	VMJQANUUBXIHSU-MRXNPFEDSA-O	00000000100010000100000000000010000000000000000000000000	31-01-077449
s1c2c(CCCCC2)cc1C(=O)NCCCC[NH+]1[C@H](CCCC1)C	PC-id_52610976	349.554	VMJQANUUBXIHSU-INIZCTEOSA-O	00000000100010000100000000000010000000000000000000000000	31-01-077450
Clc1cc(Cl)c(nc1Sc1nnc2n1CCCCC2)Cl	PC-id_102752254	349.667	NBUZOXXGXFMTEJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077451
Fc1ccc(Cl)c(c1)C(=O)N1CCc2nn(CC#N)c(=O)n2CC1	EMOLS-id_50590063,PC-id_91910687,MCULE-5931223275	349.747	RHNDJKOFDUDLTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077452
Clc1cc([N+](=O)[O-])c(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51185242	349.772	OWSQUPCARORYIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077453
Clc1c(C(=O)NCc2n3CCCCCc3nn2)cc([N+](=O)[O-])cc1	PC-id_78796579	349.772	ZZUGFCXQLGANCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077454
Nc1cc2n(n1)CCCN(C2)C(=O)Nc1cc2OCOc2cc1Cl	EMOLS-id_320167971,MCULE-9171416961	349.772	HIGSQVMRDNWXQN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-077455
Clc1cnc2cc(nn2c1)C(=O)N1CCc2[nH]c(=O)sc2CC1	SCHEMBL15282676,BindingDB-id_300545,PC-id_71748086,BindingDB_PC-id_71748086	349.795	PHTXEXDUGBXUIJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-077456
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(o1)Cl)C	SCHEMBL11206706,PC-id_20483979	349.809	SLSKMAIDOWGLDI-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-077457
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1occ(c1)Cl)C	SCHEMBL11195612,PC-id_20483866	349.809	XTJAYMVSIZEHRS-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-077458
CC(OC(=O)C1CCCC(n2c1ccc2)C(=O)c1occc1Cl)C	SCHEMBL11203008,PC-id_20483789	349.809	RDNRJBVOBJMDJJ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-077459
FC/C=C(C(=C/CN=c1sc(=O)n2n1CCOCC2)OC)/Cl	PC-id_142129245	349.809	OICPBCALKRKAGU-QWCGQTMISA-N	00000000100000000101000000000010000000000000000000000000	31-01-077460
Cc1cc(ccc1Cl)C(=O)N1CCCn2nc(cc2C1)C(O)CO	MCULE-2452012826,PC-id_90653781,EMOLS-id_50549527	349.812	YRJRWHRKLZPUFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077461
Cc1cc(C(=O)N2CCCn3nc([C@H](O)CO)cc3C2)ccc1Cl	PC-id_100067948,ZINC22_221428875	349.812	YRJRWHRKLZPUFW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077462
Cc1cc(C(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)ccc1Cl	PC-id_100067949,ZINC22_221428934	349.812	YRJRWHRKLZPUFW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077463
CC(c1nnc2n1CCC(CC2)C(=O)OC)Oc1cc(ccc1)Cl	MCULE-5019231031,EMOLS-id_316952141,PC-id_136557123	349.812	VAXNMASCQHTBLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077464
C[C@H](O)c1cc2n(n1)CCCN(Cc1cc3c(cc1Cl)OCO3)C2	PC-id_100039578,ZINC22_219355123	349.812	HQNRUSLWPZISST-NSHDSACASA-N	00000010100000100101000000001010000000000000000000000000	31-01-077465
C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc3c(cc1Cl)OCO3)C2	ZINC22_219355059,PC-id_100039576	349.812	HQNRUSLWPZISST-LLVKDONJSA-N	00000010100000100101000000001010000000000000000000000000	31-01-077466
CC(O)c1cc2CN(Cc3cc4OCOc4cc3Cl)CCCn2n1	PC-id_90648958,EMOLS-id_50531773,MCULE-6910944744	349.812	HQNRUSLWPZISST-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-077467
CCOc1cc(cc(c1O)Cl)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_319933994,MCULE-7021386179	349.812	NXSPAERQDCBZBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077468
Clc1c(cc(OC(=O)Cn2nc3n(CCCCC3)c2=O)cc1C)C	PC-id_55779630	349.812	YGWAVRIVOFOQOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077469
COc1c(Cl)cc(cc1OC)C(=O)N1CC(C)Cc2c(C1)cn[nH]2	EMOLS-id_318972720	349.812	FCTPICSIBIAAGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077470
COc1c(Cl)cc(OC)c(NC(=O)c2c3c(CCCCC3)[nH]n2)c1	EMOLS-id_335073790,MCULE-5225723695	349.812	TVVMKMRZIPFNKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077471
COCC1CCn2nccc2CN1C(=O)COc1cccc(Cl)c1	EMOLS-id_313819172	349.812	AFXHZNCVBJEPMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077472
COC[C@@H]1CCn2nccc2CN1C(=O)COc1cccc(Cl)c1	ZINC22_585096684	349.812	AFXHZNCVBJEPMV-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077473
COC[C@H]1CCn2nccc2CN1C(=O)COc1cccc(Cl)c1	ZINC22_585096685	349.812	AFXHZNCVBJEPMV-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077474
COC(=O)[C@H]1CCc2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC1	ZINC22_601045284	349.812	VAXNMASCQHTBLZ-NEPJUHHUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077475
COC(=O)[C@@H]1CCc2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC1	ZINC22_601045286	349.812	VAXNMASCQHTBLZ-NWDGAFQWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077476
COC(=O)[C@H]1CCc2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC1	ZINC22_601045288	349.812	VAXNMASCQHTBLZ-RYUDHWBXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077477
COC(=O)[C@@H]1CCc2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC1	ZINC22_601045315	349.812	VAXNMASCQHTBLZ-VXGBXAGGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077478
c12nnnn1CCCCC2C(=O)N(C)CCOc1cccc(Cl)c1	EMOLS-id_316228397,MCULE-3160037736	349.815	XIGQDCKQLLFQSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077479
c1(C(C)NC(=O)c2cc(OC)cc(Cl)c2)nnc2CCNCCn12	EMOLS-id_232798566,MCULE-4095357193,PC-id_56711381	349.815	VAMAKHAQTXTZQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077480
CCOc1ccc(cc1Cl)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319950082,MCULE-4232994874	349.815	ZPNPKTMRGHALEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077481
CCOc1ccc(c(c1)NC(=O)N1CCCn2c(C1)cc(n2)N)Cl	EMOLS-id_319961214,MCULE-2523154501	349.815	XXWWRKVYSAVUNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077482
CCOc1cc(Cl)ccc1NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_318783284	349.815	QACBRJAUEGLOGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077483
CC(Oc1ncc(cc1NC(=O)C1CCn2c(CC1)nnc2)Cl)C	EMOLS-id_278171245	349.815	WFJMKBLNCKHHPZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077484
CCOc1ncc(C(=O)NCc2nnc3n2CCCCC3)cc1Cl	EMOLS-id_75973587,ZINC22_171794662,MCULE-7873486607,PC-id_119041702	349.815	QHTNOUYZXBIWPO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077485
CNc1ccc(c(c1)Cl)C(=O)N(Cc1nnc2n1CCOCC2)C	EMOLS-id_319651964	349.815	GIGJZDGYCNQXEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077486
CN(CCOc1cccc(Cl)c1)C(=O)[C@H]1CCCCn2nnnc12	ZINC22_1506403926	349.815	XIGQDCKQLLFQSE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077487
CN(CCOc1cccc(Cl)c1)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_1506403927	349.815	XIGQDCKQLLFQSE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077488
COc1cccc(c1CNC(=O)N1CCCn2c(C1)cc(n2)N)Cl	EMOLS-id_318973918	349.815	LMRLXWGFFBMBHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077489
COc1cc(Cl)c(cc1C)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319186413	349.815	QEFIWCNQUSYRLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077490
COc1cc(Cl)ccc1CNC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319899162,MCULE-4808200607	349.815	BARBTUOREOPCDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077491
COc1cc(Cl)cc(C(=O)N[C@@H](C)c2nnc3n2CCNCC3)c1	ZINC22_67871615	349.815	VAMAKHAQTXTZQJ-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-077492
COc1cc(Cl)cc(C(=O)N[C@H](C)c2nnc3n2CCNCC3)c1	ZINC22_67871616	349.815	VAMAKHAQTXTZQJ-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077493
COc1cc(N)c(cc1C(=O)NCc1nnc2n1CCCCC2)Cl	PC-id_119833850	349.815	XWZNCHAACQYJGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077494
COCc1c(cccc1Cl)NC(=O)N1CCCn2c(C1)cc(n2)N	EMOLS-id_319959126,MCULE-2432000958	349.815	PMBLZSGYMKRPBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077495
O=[N+]([O-])c1cc(CNCCc2nnc3n2CCCCC3)ccc1Cl	EMOLS-id_37017346,PC-id_56801031,MCULE-5095144308,ZINC22_67698158	349.815	JFPICLZQZOVNFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077496
Cc1c(Cl)ccc(C(C)(C)C(=O)N2CCCc3occc3C2)c1F	ZINC22_2325825458	349.827	QJTMMLKYXXITKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077497
c1(C(O)C2CC2)cc2n(CCCN(Cc3ccc(c(Cl)c3)F)C2)n1	EMOLS-id_50534149,MCULE-4179442326,PC-id_90649592	349.83	SSMUCPZLHCEYIM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-077498
CNC(=O)CC1CN(Cc2ccc(Cl)c(F)c2)Cc2cccn2C1	EMOLS-id_313813280	349.83	AUSSZAQEOLBLMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077499
CNC(=O)C[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cccn2C1	ZINC22_585099009	349.83	AUSSZAQEOLBLMC-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077500
CNC(=O)C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2cccn2C1	ZINC22_585099010	349.83	AUSSZAQEOLBLMC-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077501
O[C@@H](c1cc2n(n1)CCCN(Cc1ccc(F)c(Cl)c1)C2)C1CC1	PC-id_100048755,ZINC22_219858839	349.83	SSMUCPZLHCEYIM-GOSISDBHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-077502
O[C@H](c1cc2n(n1)CCCN(Cc1ccc(F)c(Cl)c1)C2)C1CC1	ZINC22_219858886,PC-id_100048757	349.83	SSMUCPZLHCEYIM-SFHVURJKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-077503
c1(NC(=O)c2ccccc2Cl)sc2c(CCCCC2)c1C(=O)O	ChEMBL-DNDi_CHEMBL6368606,CoCoCo_6384930,CK1354889,EMOLS-id_6256497,ChEMBL-DNDi_CHEMBL3487-1245,MCULE-8726683580,ZINC22_227526,SCHEMBL918610,PC-id_4016153	349.832	NIWLUIYEFZWWQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077504
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)O	MCULE-2511701371,EMOLS-id_179129676,PC-id_28860445	349.832	ACZXTNCEYAOPQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077505
Clc1c(NC(=O)c2sc3CCCCCc3c2)cc(cc1)C(=O)O	CoCoCo_3918123,PC-id_16345043	349.832	QTIXDPLZGKQTHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077506
O=C(Nc1sc2c(c1C(=O)O)CCCCC2)c1ccc(Cl)cc1	MCULE-1780192232,EMOLS-id_177302334,ZINC22_20334905,PC-id_28860448	349.832	AVYYJCSJWZTITG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077507
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CCc1cc(ccc1)Cl	PC-id_90625517	349.835	LOFCHZWVYQAGBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077508
c1(NC(=O)c2cccnc2Cl)sc2c(CCCCC2)c1C(=O)N	SPECS-id_AK-968/11842385,EMOLS-id_1501720,SPECS-id_AN-153/I128604,PC-id_741172,CoCoCo_370573,MCULE-6621306494,ZINC22_178939,TIMTEC252766,BAS-07537347	349.835	JXRFAKONUCSMNR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-077509
CC(=O)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1	ZINC22_96146900,PC-id_97442424,EMOLS-id_44303768	349.835	DTBKVZPXGMRADN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077510
Clc1cc(ncc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N	PC-id_52464934	349.835	DPVPRAFPWVGFAX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-077511
Clc1c(C(=O)Nc2sc3c(n2)CC(CNC3=O)(C)C)cccc1	CHEMBL1490803,PC-id_1089143,CK3211785,SCHEMBL3589713,CoCoCo_366091,ChEMBL-DNDi_CHEMBL1490803	349.835	UGJQCNCHXRCWKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077512
Clc1ncc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_60387908	349.835	DEUIQQYJNLOPQM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-077513
Clc1ncc(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_9301184	349.835	FOHMDRUWNBXIRV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-077514
Cc1nc2c(s1)CCN(CC2)C(=O)C1=CC2=NCC(=CN2N1)Cl	PC-id_89832802	349.838	ZOOKYLUFTWMPIY-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-077515
Cc1nc2c(s1)CCN(CC2)C(=O)c1nn2C=C(CNc2c1)Cl	SCHEMBL15295602,PC-id_136624122	349.838	SAHSVFADJUZHNS-UHFFFAOYSA-N	00000000100011000101000000010010000000000000000000000000	31-01-077516
CCOc1cc(CN2Cc3c[nH]nc3CC(C)(C)C2)cc(Cl)c1O	ZINC22_668844201	349.855	BWUYSVWNCIRZOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077517
OC(CN1CC(C)Cc2c(C1)cn[nH]2)COc1cc(C)ccc1Cl	EMOLS-id_319888319,MCULE-8945983664	349.855	DDXBKXJIBKSEHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077518
CCOC(=O)c1cc2c(s1)CCN(CC2)Cc1ccc(cc1)Cl	PC-id_13072047,SCHEMBL11173215	349.875	WORPTHNTBDKKLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077519
Clc1c(CN2CCc3c(sc(c3)C(=O)OCC)CC2)cccc1	PC-id_13072046	349.875	YSDMRKUSIZURDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077520
COC(=O)[C@H](c1ccccc1Cl)N1CCCc2c(CC1)scc2	PC-id_144590391	349.875	VFDIOVGAYBIKNM-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077521
c1(NC(=O)Nc2ccc(cc2Cl)C)sc2c(CCCCCC2)n1	PC-id_20966645,CoCoCo_2552427,EMOLS-id_16329874,MCULE-3556815847	349.878	GPFXWSYLWSBDJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077522
c1(NC(=O)Nc2ccc(c(Cl)c2)C)sc2c(CCCCCC2)n1	PC-id_20966644,EMOLS-id_16329870,CoCoCo_2552425,MCULE-3419425797	349.878	JURYHTUGENRGRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077523
CC(C)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1	ZINC22_2055793442,EMOLS-id_313793852	349.878	FJHLRXIJIUDBGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077524
Clc1ccc(cc1)CN(C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112825084	349.878	QYHKCKPGSPKIBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077525
Clc1cccc(c1)CN(C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112825174	349.878	YQCCQHGRXFSBEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077526
Clc1ccc(SCC(=O)NCc2n[nH]c3CCCCCc23)cc1	MCULE-6432751245,ZINC22_670444909,EMOLS-id_222761788	349.878	DWNBKBJXPQSSPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077527
Nc1ccc(c(c1)C(=O)NCCc1nc2c(s1)CCCCC2)Cl	MCULE-2004392589,EMOLS-id_320338567	349.878	VCFZRQYIIOXZMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077528
O=C(N(Cc1ccccc1Cl)C)Nc1nc2c(s1)CCCCC2	PC-id_112825176	349.878	WIJXJMIQVOSGDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077529
CN(Cc1nnc2n1CCCCC2)C(=S)Nc1ccc(Cl)cc1	CoCoCo_4570433,ZINC22_10939473,EMOLS-id_29990484,PC-id_45803799,MCULE-4281456728	349.882	GEMQBCLRKKOCOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077530
Clc1c(CSc2nnc3n2CCCCC3)sc2ccccc12	ZINC22_24968765,MCULE-9235683389,CoCoCo_4379968,EMOLS-id_24964103,PC-id_32279808	349.901	YUMXGBRXXCZDTB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-077531
FC1(F)COc2c(OC1)c(sc2Br)Br	SCHEMBL19056396	349.975	XCKGQHGYYVSINQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077532
C[Si](C)(C)C#CC1=CC2=CC=CC=CC2=C1I	PC-id_164676184	349.999	YDCXQUCNANLYPC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-077533
C1CC2=C(C=C(S2)Cl)N(CC1=O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]	PC-id_154008639	350.013	VCNGYVZEFLQFTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077534
C1CCC2=C(C(C1)CC3=CC(=CC=C3)F)NN=C2/C=C/S(=O)(=O)O	PC-id_162340217	350.11	ZQHBXHKCLMHKAH-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077536
C[C@H]1CC(=Cc2c(C1)n(c(c2[NH+]=O)O)CC1=CC=C(CC1)Cl)NO	PC-id_163686165	350.127	VMVZOSJKRUNLGN-JTQLQIEISA-O	00000000100011000110000000000010000000000000000000000000	31-01-077537
CC1(CC2=C(CN(C1)C(=O)NCC3=C(C=C(C=C3)Cl)F)C=NN2)C	MCULE-4262511033,PC-id_154763852,EMOLS-id_317273848	350.131	VSXMXZJALBIUJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077538
CC1=CC(=CC=C1)CN(CC2=NN=C3N2CCOCC3)S(=O)(=O)C	EMOLS-id_317719765,PC-id_154787683,MCULE-4917034339	350.141	WCQVTRPXJGOFAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077539
CC(C1=CC=CC=C1)N(CC2=NN=C3N2CCOCC3)S(=O)(=O)C	PC-id_154783914,EMOLS-id_317762229,MCULE-5047664878	350.141	GLLCAMBUYVZIFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077540
C[C@@H](C1=CC=CC=C1)N(CC2=NN=C3N2CCOCC3)S(=O)(=O)C	PC-id_164637931	350.141	GLLCAMBUYVZIFV-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077541
CC1=CC(=C2C(=CC(=C2C(=C1)C)CC3=CC=CC=C3)CC4=CC=CC=C4)C	PC-id_154131184	350.203	HISDJWDZAFHBMZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-077542
Brc1cc2CN(CCCc2o1)C(=O)OCc1ccccc1	EMOLS-id_331252569	350.207	YXHUEZIKIZAAPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077543
Brc1cc2C(=Cc3c4-c(cc3)ccccc4)C(=O)Nc2cc1	PC-id_25264352,SCHEMBL3284076	350.209	XOYQROSFUKTOQG-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-077544
Brc1cc2/C(=C/c3c4-c(cc3)ccccc4)/C(=O)Nc2cc1	PC-id_52942653,BindingDB_PC-id_52942653,SCHEMBL3284075,CHEMBL1257681	350.209	XOYQROSFUKTOQG-YVLHZVERSA-N	00000010100000100110000000001010000000000000000000000000	31-01-077545
Brc1cc2NC(=O)/C(=C/c3c4-c(cc3)ccccc4)/c2cc1	PC-id_59301641	350.209	SSVNTYYOZMXJPT-LICLKQGHSA-N	00000010100000100110000000001010000000000000000000000000	31-01-077546
Brc1cc2NC(=O)C(=Cc3c4-c(cc3)ccccc4)c2cc1	SCHEMBL3283737,PC-id_59301659	350.209	SSVNTYYOZMXJPT-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-077547
Brc1ccc2c(c1)/C(=Cc1ccc3-c1ccccc3)/C(=O)N2	CHEMBL1257562,BindingDB_PC-id_25264352	350.209	XOYQROSFUKTOQG-LICLKQGHSA-N	00000010100000100110000000001010000000000000000000000000	31-01-077548
Brc1ccc2c(c1)NC(=O)/C/2=Cc1ccc2-c1ccccc2	SCHEMBL3283734	350.209	SSVNTYYOZMXJPT-YVLHZVERSA-N	00000010100000100110000000001010000000000000000000000000	31-01-077549
BrCc1c(c2-c(c1C#N)ccccc2)C(=O)c1ccccc1	PC-id_12008222	350.209	RXCROJCCQAHWGS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-077550
Brc1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)O	EMOLS-id_101668233	350.21	KYCPYNDKCPTPFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077551
Brc1ccc(c(c1)O)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671295	350.21	OMMOQONZPJCKIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077552
Brc1ccc(C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_60747024	350.21	ILSBSVNUGJAQED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077553
Brc1ccc(nc1)N(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_111946160	350.21	NCVCXNOXROVWRA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077554
Brc1cc(C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_60747029	350.21	FXZMPVMIPYBOFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077555
BrC1CCN(c2[nH]ncc2C1=O)Cc1cc(OC)ccc1	SCHEMBL369615,PC-id_66668658	350.21	NGLWRAHTMFKAQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077556
Brc1c(C(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_60746983	350.21	WNNPTBLOTCIGOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077557
Brc1cnc(c(c1)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_316882006,MCULE-9164070334,PC-id_136534275	350.21	DEZDLLRAGFRRFK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077558
Brc1cnc(c(c1)NC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_101453215	350.21	VQJCAEIQILGMAD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-077559
Cc1cnc(c(c1)Br)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111949543	350.21	HRWALNPGVLUJIG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077560
Oc1cc(Br)cc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318372456	350.21	AVWMAWBVEFSNDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077561
O=C(c1ccc(c(c1)O)Br)N1CCCc2c(C1)cnn2C	EMOLS-id_101674679	350.21	SHQDOVCMKXHVAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077562
O=C(c1[nH]nc(c1Br)C1CC1)N1CCCc2c(C1)cco2	EMOLS-id_99372658	350.21	HCFKRIDRXTYULJ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-077563
O=C(c1noc2c1CCCCC2)Nc1ccc(c(n1)C)Br	EMOLS-id_111948559	350.21	ZWUUPCYEGXPCCP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077564
O=C(c1noc2c1CCCCC2)Nc1ncc(c(c1)C)Br	EMOLS-id_111948604	350.21	RXSZYICOUMUTCN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077565
O=C(N1CCCc2c(C1)cco2)Nc1ccc(c(n1)C)Br	EMOLS-id_99355132	350.21	CPUNCDALZKECRQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-077566
O=C(Nc1ccc(cn1)Br)CN1CCCc2c(C1)cco2	EMOLS-id_99338740	350.21	FJXSXKQZGCDIPF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-077567
Brc1ccc(c(c1)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164494	350.214	CQZOAMJGZNINJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077568
Brc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102158320	350.214	IIYSRARBLUXPPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077569
Brc1cncc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101969334	350.214	HYGSQDFVXKWDJF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077570
Cc1cc(Br)cc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179642	350.214	GPNRBAAJWMQWPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077571
Cc1ccc(c(c1)Br)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102181068	350.214	KPVNHCRZIYUXBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077572
Cc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)Br	EMOLS-id_102182442	350.214	CYWWQYFHUVIDTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077573
O=C(c1ccc(c(c1)Br)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102158248	350.214	BXTCKRIWSAHRBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077574
O=C(c1cccc(c1Br)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102181053	350.214	GWXSSNMGXUEVIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077575
O=C(c1cccc(c1C)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102158308	350.214	JEVGMWCVOAGLSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077576
O=C(N1CCCc2c(C1)cnn2C)Nc1ccncc1Br	EMOLS-id_101950434	350.214	BDCGLMYHHQZNES-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077577
O=C(NCc1nnc2n1CCCCC2)c1cncc(Br)c1	EMOLS-id_24011657,CoCoCo_4336647,ZINC22_22701143,MCULE-6193808959,PC-id_30547193	350.214	MFLRMPNAQWCXGW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077578
CCOC(=O)c1c(I)sc2c1CCCCC2	SCHEMBL19140438	350.216	QUDVSFAAWREDHW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-077579
Brc1c(Cn2cc3C(O)CCCCc3c2)cc(OC)cc1	PC-id_83209458	350.25	IBVFVBREMAXFGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077583
Brc1cc(OCCn2cc3C(O)CCCCc3c2)ccc1	PC-id_83209463	350.25	PBTPRXCBVRQARY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077584
Brc1c(n(nc1C)CC)Cn1cc2CCCCC(=O)c2c1	PC-id_83206668	350.253	DPFZJGKYUXCUOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077585
Brc1c(n(nc1CC)C)Cn1cc2CCCCC(=O)c2c1	PC-id_83206670	350.253	QTEBYOJKERZGLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077586
Brc1cccc(n1)CNC(c1nnc2n1CCCCC2)C	PC-id_115938108	350.257	JFTCRCSDKFLSQR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077587
Brc1ccc(nc1)CNC(c1n2CCCCCc2nn1)C	PC-id_64125649	350.257	LZCXVHUWXPICMZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077588
Brc1cncc(c1)CNC(c1nnc2n1CCCCC2)C	PC-id_116012139	350.257	BIKHEASQWRMZCQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077589
c1(NC(=O)C(Cl)Cl)sc2c(CCCCCC2)c1C(=O)OC	TIMTEC561989,EMOLS-id_2126311,CK1933361,MCULE-2709676263,PC-id_2886083,CoCoCo_740013,ChEMBL-DNDi_CHEMBL6104462	350.261	XYUAADOKGIBIAU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-077590
ClC(Cl)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_3257263	350.261	WJPORLVEDXDCRG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-077591
Brc1ccccc1NC(=O)c1csc2CCCCCc12	PC-id_20881827,CoCoCo_2171508,EMOLS-id_16062741,MCULE-3017778924	350.273	DZGLZFVVYNRJKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077592
Brc1ccc(nc1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_115801023	350.273	JISXMSMCJGKSQF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-077593
Brc1ccc(NC(=O)c2sc3CCCCCc3c2)cc1	PC-id_29769942	350.273	VNLFQCYRBQGACQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077594
Brc1cc(C(=O)c2c3CCCCCc3sc2N)ccc1	CHEMBL338585,PC-id_10948088	350.273	AMYCIUJRLZJRRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077595
Brc1cc(C(=O)c2sc3CCCCCc3c2)ccc1N	PC-id_64194062	350.273	LFIFCCGSNWDZGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077596
Brc1cc(NC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_30058949	350.273	AOWJDQTWDLTTDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077597
Brc1c(C(=O)c2sc3CCCCCc3c2)ccc(N)c1	PC-id_64193528	350.273	HCYAEALOJDZDBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077598
Brc1cncc(c1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_115801246	350.273	HIGAYGGDVRDMSR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-077599
Brc1c(NC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_26913807	350.273	BLEVWSJZTCKHAZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077600
Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCCC2	CHEMBL127965,PC-id_10959037	350.273	QVHLOAXADFOGRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077601
Brc1cccc(c1)C[NH2+][C@@H](c1nnc2n1CCCCC2)C	GD-id_ZINC35229553	350.277	JNRYTCJOOKULSY-GFCCVEGCSA-O	00000000100000110101000000000010000000000000000000000000	31-01-077602
O=C(c1cncc2c1[nH]c(n2)C(F)(F)F)N1CCCc2c(C1)c[nH]n2	EMOLS-id_316544173	350.299	IHNXPTNGFPVHSR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-077603
Brc1ccc(CC(N)c2sc3c(CCCCC3)c2)cc1	PC-id_63528232	350.316	QSIXLBLUEGAOLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077604
Brc1cc(CC(N)c2sc3c(CCCCC3)c2)ccc1	PC-id_63526557	350.316	SOUGJYMCWMBVCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077605
Brc1ccc(C(NC)c2sc3c(CCCCC3)c2)cc1	PC-id_43481007	350.316	CHJWNQNFCHCROP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077606
BrC(c1sc2c(CCCCC2)c1)C(c1ccncc1)C	PC-id_66453304	350.316	QXDBMJUXFPHICP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-077607
BrC(c1sc2c(CCCCC2)c1)C(c1ncccc1)C	PC-id_66452269	350.316	MSWMTHPHTXVBHF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-077608
BrC(c1sc2c(CCCCC2)c1)Cc1ncccc1C	PC-id_66453769	350.316	LLZLMLWHOPEZEP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-077609
BrC(c1sc2c(CCCCC2)c1)Cc1ncc(cc1)C	PC-id_66454224	350.316	KFRSPSVFTXGDMR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-077610
NC(c1cc2c(s1)CCCCC2)Cc1ccccc1Br	PC-id_115787511	350.316	CNKQZHLYCWQIBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077611
c1(c(F)cc(cn1)F)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	EMOLS-id_43062538,MCULE-8269288804,ZINC22_72411362,PC-id_56883383	350.32	BFBSOCWIBVBUNI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077612
Fc1cc(F)c(cc1CNC(=O)c1cnc2n1CCCCC2)[N+](=O)[O-]	EMOLS-id_278938431	350.32	KTCCFBKYIRCQRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077613
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)OC(O2)(F)F	EMOLS-id_101968527	350.32	BBJWOMZCLWWABU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-077614
O=C1O[C@H]2[C@H](N1)CCN(C2)C(=O)c1nc2n(n1)CCN(CC2)C(=O)O	SCHEMBL17113314,PC-id_118394855	350.33	BDZXOGWKJPGIIE-RKDXNWHRSA-N	00000010100010000101000000000110000000000000000000000000	31-01-077615
C1CCc2nnc(n2CC1)/C(=C
/c2c(ccc(c2)[N+](=O)[O-])NC1=O)/C#N	CoCoCo_3714262,PC-id_135576430	350.331	SVOIVLBPEILDOO-QINSGFPZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-077616
N#C/C(=C/1C(=O)Nc2c1cc(cc2)[N+](=O)[O-])/c1nnc2n1CCCCC2	CoCoCo_3714263	350.331	SVOIVLBPEILDOO-NTCAYCPXSA-N	00000010100000100101000000001010000000000000000000000000	31-01-077617
N#CC(=C1C(=O)Nc2c1cc(cc2)[N+](=O)[O-])c1nnc2n1CCCCC2	EMOLS-id_300274270,MCULE-4425688016	350.331	SVOIVLBPEILDOO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-077618
O=C1N=c2c(=C1/C(=C
/N3CCCCCC3=NN1)/C#N)cc([N+](=O)[O-])cc2	PC-id_5819071	350.331	JFDBHEARXWEHSL-FOWTUZBSSA-N	00000011000000100111000000001010000000000000000000000000	31-01-077619
O=C1N=c2c(=C1C(=C1N3CCCCCC3=NN1)C#N)cc([N+](=O)[O-])cc2	PC-id_6790288	350.331	JFDBHEARXWEHSL-UHFFFAOYSA-N	00000011000000100111000000001010000000000000000000000000	31-01-077620
O=C(c1noc2c1CCCCC2)NC1CCc2c1c(F)c(c(c2)F)F	EMOLS-id_101560380	350.335	IDXBPPNOYCIZBU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-077621
[Na+].c12c(n(cn1)CCCc1cc(C(=O)[O-])ccc1C)NC=NCC2O	CHEMBL37750	350.348	OXBQPCYZEYJHIB-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-077622
s1c2CCCCCc2cc1C(=O)NNC(=O)COCC(F)(F)F	PC-id_52608625	350.357	UEYYVLXTWCQMPV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-077623
Cc1cc(CN2Cc3cccn3C[C@H](C(=O)N3CC(F)(F)C3)C2)no1	ZINC22_306126267	350.363	DRDFREYXRAOIKN-CYBMUJFWSA-N	00001000100000000101000000000010000000000000000000000000	31-01-077624
Cc1cc(CN2Cc3cccn3C[C@@H](C(=O)N3CC(F)(F)C3)C2)no1	ZINC22_306126268	350.363	DRDFREYXRAOIKN-ZDUSSCGKSA-N	00001000100000000101000000000010000000000000000000000000	31-01-077625
Cc1cc(CN2CC(Cn3cccc3C2)C(=O)N2CC(F)(F)C2)no1	EMOLS-id_50016416	350.363	DRDFREYXRAOIKN-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-077626
CCn1nc2CCC(CCn2c1=O)C(=O)NCc1cc(F)ccc1F	EMOLS-id_207876833,MCULE-4667953792	350.363	NWVXFYBLKCZESQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077627
CN(Cc1ccc(F)cc1F)C(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_37947359,MCULE-1403691741,EMOLS-id_24023557,ZINC22_30803170,CoCoCo_4759055	350.363	CUXWCAIHGOUXLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077628
CN(Cc1nnc2n1CCOCC2)C(=O)CCc1cccc(F)c1F	MCULE-1800392695,ZINC22_1615547072,EMOLS-id_320334276	350.363	JEFYGTJJFCPLTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077629
COCc1nnc2CC(C)N(CCn12)C(=O)c1cc(F)c(F)cc1C	EMOLS-id_313826855	350.363	NNGOIYRKUCQCQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077630
COCc1nnc2n1CCN(C(=O)c1cc(F)c(F)cc1C)[C@H](C)C2	ZINC22_585097730	350.363	NNGOIYRKUCQCQF-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077631
COCc1nnc2n1CCN(C(=O)c1cc(F)c(F)cc1C)[C@@H](C)C2	ZINC22_585097731	350.363	NNGOIYRKUCQCQF-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-077632
COCC(c1ccc(c(c1)F)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319482315	350.363	MREBSMQMVNSZSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077633
FC1(F)CCN(CC2CCn3nccc3CN2C(=O)c2ccco2)C1	EMOLS-id_313815847	350.363	BKGIXHRITJLIDC-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-077634
FC(F)Oc1ccc(CC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266351	350.363	DJJXPIUKGUCZGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077635
FC(F)Oc1cccc(NC(=O)NCc2n[nH]c3CCCCCc23)c1	EMOLS-id_68869437,PC-id_118760941,ZINC22_299765291,MCULE-1863544747	350.363	LRCQJQQKBQEREF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077636
FC(F)Oc1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52181423	350.363	VEXWOIRTFQNTFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077637
FC(F)Oc1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_51307473	350.363	VJTFIOHUTYDQFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077638
FC(Oc1ccc(cc1)CN(C(=O)C1CCn2c(CC1)nnc2)C)F	MCULE-6329401161,EMOLS-id_320253379	350.363	SLHYHVAGVNGNMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077639
O=C(c1ccco1)N1Cc2ccnn2CC[C@@H]1CN1CCC(F)(F)C1	ZINC22_585096730	350.363	BKGIXHRITJLIDC-CYBMUJFWSA-N	00000010101000000101000000000010000000000000000000000000	31-01-077640
O=C(c1ccco1)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1	ZINC22_585096731	350.363	BKGIXHRITJLIDC-ZDUSSCGKSA-N	00000010101000000101000000000010000000000000000000000000	31-01-077641
O=C(CC1CCn2c(CC1)nn(c2=O)C)NCc1cc(F)ccc1F	PC-id_146071635,EMOLS-id_239609061,MCULE-8494061296	350.363	XDAVLRWBMLHNGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077642
Cc1cnnn1Cc1ncn2c1CN(C(=O)C1CC(F)(F)C1)CCC2	ZINC22_1565550333,EMOLS-id_313730269	350.366	YYRIMTCYKYHLDV-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-077643
FC(c1ncnc(c1)C(=O)NCCCc1nnc2n1CCCCC2)F	EMOLS-id_319185569	350.366	OKCNUWCRGJPRAQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-077644
CCOC(=O)c1c(c(c2-c1ccccc2)N=Nc1ccc(cc1)OC)O	PC-id_136858971	350.368	SUYPKAGKUCHQPX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-077645
Fc1cc(C(=O)Nc2nc3c(s2)CCCCC3)c(c(c1)[N+](=O)[O-])N	PC-id_112838865	350.368	QCNCDUYPZRSDLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077646
Oc1c(Cc2c3-c(c(c2O)C#N)ccccc3)c2-c(c1C#N)ccccc2	PC-id_14233311	350.369	HPBGTKOPRLPVIC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-077647
O(C(C)(C)C)C(=O)N1CC(=O)c2ncn(c2N=C1)C(=O)OC(C)(C)C	PC-id_69783732,SCHEMBL6447024	350.37	MRNNNXCLDUUSOU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-077648
C1CN(Cc2cc(nn2C1)C(=O)Nc1ccccc1)C(=O)c1ccco1	PC-id_137645437	350.371	FXLPQUALDKVGSE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-077649
Fc1cccc2c1c(c[nH]2)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028529	350.371	GEJYLTDFMOABDN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-077650
S(CC1n2c(noc2=O)CCCC1)CP(=O)(OCC)OCC	PC-id_22901404	350.371	WEIHJWPWMFTBFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077651
c12CN(CCCn1nc(C)c2)C(=O)c1cnc(nc1O)c1ccccn1	MCULE-6063198446,ZINC22_91475379,EMOLS-id_44710379,PC-id_70725709	350.375	PIGCKMWKGZDGDO-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-077652
n12CCN(CCc1nn(CC#N)c2=O)C(=O)Cc1c2ccccc2[nH]c1	PC-id_91922483,EMOLS-id_50590061,MCULE-9380897850	350.375	DYJXLZPUMKYVMW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-077653
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)c1cnc(cn1)O	EMOLS-id_337806090,ZINC22_2356138143,MCULE-7721232468	350.375	FUHFPRANTDYDEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077654
N#CC(c1nnc2n1CCCCC2)C(=O)c1cnc2c(c1)c(CC)no2	EMOLS-id_98239438	350.375	URXDBSMIMJTCEI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-077655
O=C1Nn2cccc2CCC1NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19037401	350.375	LCOLLWIAULKFEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077656
O=C(c1ccccn1)N1CCn2c(CC1)nnc2COc1ccccn1	PC-id_97381542	350.375	JVASNISRSUYPDE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077657
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)Oc1nccnc1	EMOLS-id_316651877	350.375	CUQQDIWBVCBZCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077658
O=C(c1ncccn1)N1Cc2ccnn2C[C@@H](OCc2ccncc2)C1	ZINC22_306123084	350.375	AECIAENVKDQLAV-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077659
O=C(c1ncccn1)N1Cc2ccnn2C[C@H](OCc2ccncc2)C1	ZINC22_306123085	350.375	AECIAENVKDQLAV-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077660
O=C(N1CCc2nn(Cc3ccccc3)c(=O)n2CC1)c1cnccn1	MCULE-7796463407,PC-id_91922496,EMOLS-id_50585967	350.375	QVOZCUJHMWUCOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077661
O=C(N1CC(Cn2nccc2C1)OCc1ccncc1)c1ncccn1	EMOLS-id_50017268	350.375	AECIAENVKDQLAV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077662
O=C(Nc1ccccc1)C1CN(Cc2ncnn2C1)C(=O)c1cc[nH]c1	EMOLS-id_313722327	350.375	MNOGFXHVNIUZQZ-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-077663
O=C(Nc1ccccc1)c1cnn2c1CN(C(=O)c1cc[nH]n1)CCC2	ZINC22_1565544985,EMOLS-id_313762766	350.375	VNEROWXJMYYQGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077664
O=C(Nc1ccccc1)[C@@H]1CN(C(=O)c2cc[nH]c2)Cc2ncnn2C1	ZINC22_1565545813	350.375	MNOGFXHVNIUZQZ-CQSZACIVSA-N	00000000110000110101000000000010000000000000000000000000	31-01-077665
O=C(Nc1ccccc1)[C@H]1CN(C(=O)c2cc[nH]c2)Cc2ncnn2C1	ZINC22_2055708127	350.375	MNOGFXHVNIUZQZ-AWEZNQCLSA-N	00000000110000110101000000000010000000000000000000000000	31-01-077666
s1c2CCCCCc2cc1C(=O)OCC(=O)c1cc(F)c(F)cc1	PC-id_7351983	350.38	IGHOPLYOEYBYBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077667
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(F)ccc(F)c1	PC-id_7649915	350.38	CSOIQGWUWNNCMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077668
c1(NC(=O)c2cc(F)ccc2F)sc2c(CCCCC2)c1C(=O)N	ZINC22_2747899,TIMTEC400431,EMOLS-id_8850909,PC-id_4766689,MCULE-1905766243	350.383	QGLCVBLHBFEJBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077669
NC(=O)c1c(NC(=O)c2ccc(F)cc2F)sc2c1CCCCC2	CoCoCo_3250496,MCULE-9970596523,PC-id_25701958,ZINC22_13073315,EMOLS-id_43822207	350.383	LZNBPHMCZMVYCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077670
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(F)cc(F)c1	PC-id_9300995	350.383	WQWVJDHEUFHDEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077671
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(F)ccc(F)c1	PC-id_27164732	350.383	KDFKPKADMGSPET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077672
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(F)c(F)ccc1	PC-id_56396131	350.383	KMSGJQHDKRCRNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077673
s1c2c(CCCCC2)c(c1NC(=O)c1cc(F)cc(F)c1)C(=O)N	PC-id_60388211	350.383	SAALNOFMLDXVNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077674
s1c2c(CCCCC2)c(c1NC(=O)c1cc(F)c(F)cc1)C(=O)N	PC-id_52464933	350.383	JLYSGVCNTATVEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077675
s1c2c(CCCCC2)c(c1NC(=O)c1c(F)cccc1F)C(=O)N	PC-id_5178994	350.383	MFOLVRCGLCNHMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077676
S(Cc1oc(C=C(c2n3CCCCCc3nn2)C#N)cc1)C(F)F	PC-id_78650358	350.386	COIHNLARVQTXKD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-077677
S(Cc1oc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)C(F)F	PC-id_8275432	350.386	COIHNLARVQTXKD-DHZHZOJOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-077678
Cc1nnc2CCN(CCn12)C(=O)c1cccc(c1)c1ccc(F)cc1	EMOLS-id_20451879,ZINC22_14882254,CoCoCo_1202864,MCULE-5512932404,PC-id_26278040	350.389	QTEOCEGRFGGSRB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077679
CCCCOc1cc(ccc2-c1ccc2)CP(=O)(OCC)OCC	SCHEMBL8338245,PC-id_17776063	350.389	PTGYKQKPWPUTOA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-077680
Fc1cc(/C=C/c3n(nc(c3CCCC2)C(=O)n2ccnc2)C)ccc1	PC-id_58882545,SCHEMBL176545	350.389	NKCBCCYUJSKVHV-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077681
Fc1cc(C=C2c3n(nc(c3CCCC2)C(=O)n2ccnc2)C)ccc1	PC-id_66614780,SCHEMBL176546	350.389	NKCBCCYUJSKVHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077682
Fc1ccccc1C(=O)N1CCc2n(CC1)c(nn2)Cc1ccccc1	CoCoCo_1334602	350.389	VCUJDJFXTLADDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077683
CN1CCN(CC1)C(=O)C1CN(Cc2ncnn2C1)C(=O)C1(F)CC1	EMOLS-id_313724888	350.391	OJZHMZOWJMPQFZ-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-077684
CN1CCN(C(=O)[C@@H]2CN(C(=O)C3(F)CC3)Cc3ncnn3C2)CC1	ZINC22_1565550068	350.391	OJZHMZOWJMPQFZ-GFCCVEGCSA-N	00100000100010000101000000000010000000000000000000000000	31-01-077685
CN1CCN(C(=O)[C@H]2CN(C(=O)C3(F)CC3)Cc3ncnn3C2)CC1	ZINC22_1614936801	350.391	OJZHMZOWJMPQFZ-LBPRGKRZSA-N	00100000100010000101000000000010000000000000000000000000	31-01-077686
CC1c2c(CCOS(=O)(=O)N1)c(n[nH]2)C(=O)NCc1ccccc1	PC-id_135234826,SCHEMBL20393180	350.393	DXTGQHDXUZASMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077687
CC1CS(=O)(=O)OCCc2c1nnn2C(=O)NCc1ccccc1	PC-id_135232610,SCHEMBL20390598	350.393	QLCZPBPFMNMRIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077688
COc1cc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)on1	ZINC22_1565556202,EMOLS-id_313792564	350.393	YRHLZYGWFNBIIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077689
CS(=O)(=O)c1ccc(CC(=O)N2CCc3n[nH]c(=O)n3CC2)cc1	PC-id_91910585,MCULE-7087326784,EMOLS-id_50589893	350.393	BSWPVBDELBETSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077690
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_110481231	350.393	ZYQSSEVONDKREN-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-077691
OC(=O)c1ccc(cc1)S(=O)(=O)NCc1cc2CNCCCn2n1	MCULE-7162634044,ZINC22_92061771,EMOLS-id_44747424,PC-id_70784567	350.393	FOZWLMHPTLQTRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077692
S(=O)(=O)(N1CCCn2nc(cc2C1)CCC(=O)O)c1cccnc1	PC-id_70749354	350.393	DTVFFSHPERNMQK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077693
Clc1c2SSSSSc2c(n1C(C)(C)C)Cl	CT-id_7150255,PC-id_6425587,7150255_OpenMolecule	350.395	HMXSYEOBOUWLIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077694
Cn1c(N)c(C(=O)CSc2nnc3n2CCCCC3)c(=O)[nH]c1=O	PC-id_16351700,EMOLS-id_11796599,MCULE-1840486388,CoCoCo_4013263,ZINC22_9737808,CoCoCo_4013258	350.396	PNAVRZFGCXHSRC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-077695
O/C(=CSc1nnc2n1CCCCC2)/c1c(=O)[nH]c(=O)n(c1N)C	CoCoCo_4013259,CoCoCo_4013262	350.396	SVMMUVGNRWSWNX-FPLPWBNLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-077696
O/C(=C/Sc1nnc2n1CCCCC2)/c1c(=O)[nH]c(=O)n(c1N)C	CoCoCo_4013260,CoCoCo_4013261	350.396	SVMMUVGNRWSWNX-BQYQJAHWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-077697
O=S(=O)(C1CC1)N1CCc2nnc(COc3cncnc3)n2CC1	ZINC22_96084609,EMOLS-id_46182223,PC-id_97405432	350.396	HNPVABOGEXCUII-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-077698
S(=O)(=O)(N1CCCn2nc(cc2C1)CNC(=O)c1nccnc1)C	PC-id_70746557	350.396	YQALPKIIEIDPLY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-077699
FC1(F)CCN(CC2CCn3nccc3CN2C(=O)C2=CCCC2)C1	EMOLS-id_313818406	350.406	GWOSPXHXXMYQMK-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-077700
O=C(C1=CCCC1)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1	ZINC22_585097046	350.406	GWOSPXHXXMYQMK-HNNXBMFYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-077701
O=C(C1=CCCC1)N1Cc2ccnn2CC[C@@H]1CN1CCC(F)(F)C1	ZINC22_585097048	350.406	GWOSPXHXXMYQMK-OAHLLOKOSA-N	00000011100000000101000000000010000000000000000000000000	31-01-077702
c12c(OCC)cc(cc(=O)c1c(oc2C)C)C=Cc1ccccc1OC	CNP0355856,PC-id_1426813,MCULE-6915137460	350.408	SPLYBIZZFNGPNE-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-077703
C1CCc2c(C(C1)Cc1ccc(cc1)F)[nH]nc2C=CS(=O)(=O)O	PC-id_87747746,SCHEMBL4915209	350.408	HAWCFNPYOBGFAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077704
C1CCc2c(C(C1)Cc1cc(ccc1)F)[nH]nc2C=CS(=O)(=O)O	SCHEMBL3470204,PC-id_87532024	350.408	ZQHBXHKCLMHKAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077705
CCOc1cc(/C=Cc2ccccc2OC)cc(=O)c2c1c(C)oc2C	CoCoCo_1763959	350.408	SPLYBIZZFNGPNE-KHPPLWFESA-N	00000000100000110110000000000010000000000000000000000000	31-01-077706
CCOc1cc(/C=C/c2ccccc2OC)cc(=O)c2c1c(C)oc2C	PC-id_1426814,ZINC22_1321758,EMOLS-id_26405372,CK3120166,STOCK1N-18827,CoCoCo_1763958	350.408	SPLYBIZZFNGPNE-ZHACJKMWSA-N	00000000100000110110000000000010000000000000000000000000	31-01-077707
CCOC(=O)c1cc(c2-c1ccccc2)Cc1cc(OC)cc(c1)OC	PC-id_122206703	350.408	HINRAHZTFSENOM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-077708
Fc1ccc(cc1)CC1CCCCc2c1[nH]nc2/C=C/S(=O)(=O)O	SCHEMBL4915203	350.408	HAWCFNPYOBGFAU-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077709
Fc1cccc(c1)C[C@H]1CCCCc2c1[nH]nc2/C=C/S(=O)(=O)O	SCHEMBL4908653	350.408	ZQHBXHKCLMHKAH-MMQHEFTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077710
Fc1cccc(c1)C[C@H]1CCCCc2c1[nH]nc2C=CS(=O)(=O)O	SCHEMBL4908657,PC-id_142694776	350.408	ZQHBXHKCLMHKAH-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077711
Fc1cccc(c1)C[C@@H]1CCCCc2c1[nH]nc2/C=C/S(=O)(=O)O	SCHEMBL4915263	350.408	ZQHBXHKCLMHKAH-XEHSLEBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077712
Fc1cccc(c1)C[C@@H]1CCCCc2c1[nH]nc2C=CS(=O)(=O)O	SCHEMBL4915266	350.408	ZQHBXHKCLMHKAH-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077713
O=Cc1nn(c2c1CCCCC2Cc1ccc(cc1)F)S(=O)(=O)C	PC-id_145479820	350.408	QAFICPARWJZKGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077714
CCOC1CC(C1(C)C)(NC(=O)c1noc2c1CCCCC2)C(=O)O	PC-id_120700390	350.409	FFVRWUCUDIUGAT-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-077715
Cn1cc(CN2Cc3ccnn3CCC2CN2CCC(F)(F)C2)cn1	EMOLS-id_313816103	350.409	ZOZYBQHMFSDMRZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077716
Cn1cc(CN2Cc3ccnn3CC[C@H]2CN2CCC(F)(F)C2)cn1	ZINC22_585098588	350.409	ZOZYBQHMFSDMRZ-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077717
Cn1cc(CN2Cc3ccnn3CC[C@@H]2CN2CCC(F)(F)C2)cn1	ZINC22_585098593	350.409	ZOZYBQHMFSDMRZ-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077718
s1c2c(CCCCC2)c(c1NC(=O)/C=C(C)/C(=O)[O-])C(=O)OCC	PC-id_40548253	350.409	ARHLKLRMUZOGHK-MDZDMXLPSA-M	00000000100000000100000000000010000000000000000000000000	31-01-077719
s1c2c(CCCCC2)c(c1NC(=O)C=C(C)C(=O)[O-])C(=O)OCC	PC-id_74695721	350.409	ARHLKLRMUZOGHK-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-077720
s1c2c(CCCCC2)c(c1NC(=O)/C=C/C(=O)[O-])C(=O)OCCC	PC-id_7406074	350.409	PCPFLQJIVSJNKA-CMDGGOBGSA-M	00000000100000000100000000000010000000000000000000000000	31-01-077721
s1c2c(CCCCC2)c(c1NC(=O)/C=C/C(=O)[O-])C(=O)OC(C)C	PC-id_7459313	350.409	ZVMVRXFETYDDMU-CMDGGOBGSA-M	00000000100000000100000000000010000000000000000000000000	31-01-077722
s1c2c(CCCCC2)c(c1NC(=O)C=CC(=O)[O-])C(=O)OCCC	PC-id_78480461	350.409	PCPFLQJIVSJNKA-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-077723
s1c2c(CCCCC2)c(c1NC(=O)C=CC(=O)[O-])C(=O)OC(C)C	PC-id_78486382	350.409	ZVMVRXFETYDDMU-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-077724
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/C(=O)[O-])C(=O)OCC	PC-id_7308783	350.409	UXNZHLIFDKYDMV-MDZDMXLPSA-M	00000000100000000100000000000010000000000000000000000000	31-01-077725
s1c2c(CCCCCC2)c(c1NC(=O)C=CC(=O)[O-])C(=O)OCC	PC-id_78470907	350.409	UXNZHLIFDKYDMV-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-077726
c12c(=Nc3ccc(cc3)NC(=O)C)cccc(OCC)c1c(oc2C)C	MCULE-5693684160,CK1311859,PC-id_1206751,CNP0317257	350.411	CPXCDHRNIGYSPK-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-077727
CCOc1ccc/c(=N/c2ccc(cc2)NC(=O)C)/c2c1c(C)oc2C	CoCoCo_6900861	350.411	CPXCDHRNIGYSPK-NKFKGCMQSA-N	00000000100000110110000000000010000000000000000000000000	31-01-077728
O=C(O)CCc1cc2n(n1)CCCN(CC(=O)NC[C@@H]1CCCO1)C2	PC-id_95862837,ZINC22_72411333	350.413	ARMOZTURNFQVFO-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077749
CCOc1ccc/c(=Nc2ccc(cc2)NC(=O)C)/c2c1c(C)oc2C	ZINC22_12658198,EMOLS-id_4789129,ChEMBL-DNDi_CHEMBL5877196,STOCK1N-15135,CoCoCo_6900860	350.411	CPXCDHRNIGYSPK-PTGBLXJZSA-N	00000000100000110110000000000010000000000000000000000000	31-01-077729
OC(=O)CCc1c2c([nH]c1C=C1c3c(NC1=O)cccc3)CCCCC2	PC-id_72651795	350.411	QHOXHQWSSJEACS-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-077730
OC(=O)CCc1c2c([nH]c1/C=C
/c3c(NC1=O)cccc3)CCCCC2	SCHEMBL6692211,PC-id_60113701	350.411	QHOXHQWSSJEACS-VBKFSLOCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-077731
s1c2-c(c(C(=O)c3c4-c(sc3=O)ccccc4)c1=O)ccccc2	PC-id_12123912	350.411	NIBXACGNSJADPK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-077732
c12CN(CCCn1nc(CCC(=O)O)c2)CC(=O)NCC1CCCO1	EMOLS-id_43062448,PC-id_56883360,MCULE-6548077290	350.413	ARMOZTURNFQVFO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077733
c12CN(CCCn1nc(CNC(=O)OCCOC)c2)C(=O)C1CCC1	ZINC22_82108346,EMOLS-id_44434413,MCULE-4812416944,PC-id_70735792	350.413	CJWMDXWKANWYFO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-077734
c1(cc2n(CCCN(C(C)C)C2)n1)C(=O)N1C[C@@H](C[C@H]1C(=O)OC)O	EMOLS-id_232801694,ZINC22_65455306,MCULE-8914898916,PC-id_50973433	350.413	GQPPRMPJCFSNKS-HIFRSBDPSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077735
C1CCC(CC1)OCCCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135100916	350.413	VLUQBQRBGFSVHZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077736
c1(C(=O)N2CCOCC2)cc2n(CCCN(C(=O)CCOCC)C2)n1	ZINC22_65381743,MCULE-8244095717,PC-id_50954007,EMOLS-id_32379306	350.413	PLKPWZRQLWQOAT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077737
c1(C(=O)N2CCOCC2)cc2n(CCCN(C(=O)OCCCC)C2)n1	EMOLS-id_32376120,MCULE-2726470129,PC-id_50952346,ZINC22_65375444	350.413	UTSASQPHMCLPKB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077738
CCOC(=C)c1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)OC(C)(C)C	PC-id_140764773	350.413	SGRPSRAKAVLEJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077739
CCO/C=C/c1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)OC(C)(C)C	SCHEMBL18367409	350.413	ZHYUGBWJMLOAGT-CSKARUKUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077740
COCCNC(=O)c1cnn2c1CN(C(=O)CC1(O)CCC1)CCC2	EMOLS-id_313739253,ZINC22_1565549551	350.413	SYGLQIUHRBTOLJ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-077741
O1C(OCC1)C1CCCN(C1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_56495553	350.413	HBKOXIAWLDBNIP-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-077742
O1C(OCC1)C1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_56403172	350.413	LMNFXYTVDZUDJG-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-077743
O1C(OCC1)C1N(CCCC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_56423200	350.413	LEYXUQCHTCQRBI-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-077744
OC1CC(N(C1)C(=O)c1nn2c(CN(CCC2)C(C)C)c1)C(=O)OC	PC-id_75593177	350.413	GQPPRMPJCFSNKS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077745
O=C(CNC(=O)c1noc2c1CCCCC2)NCCN1CCOCC1	EMOLS-id_101030860	350.413	ZRYGSSUBTLJHBR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077746
O=C(N1CCCc2c(C1)cnn2C)OC1CN(C1)C(=O)OC(C)(C)C	EMOLS-id_316578014	350.413	DHQWQMCNCKODHX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-077747
O=C(Nc1cc2-c(ccccc2)n1)/C(=C/c1ccccc1)/c1ccccc1	CHEMBL4453464	350.413	PMAUMCDFZJBDIE-LTGZKZEYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-077748
O=C(O)CCc1cc2n(n1)CCCN(CC(=O)NC[C@H]1CCCO1)C2	ZINC22_72411334,PC-id_95862838	350.413	ARMOZTURNFQVFO-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077750
C1CC1CNC(=O)c1nc2c(o1)CCN(CC2)Cc1cccc(c1)C#N	PC-id_134807695	350.414	GMSQODLDKQODBM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-077751
c1(cc(oc1c1ccccc1)C)C(=O)NCc1cc2n(CCCNC2)n1	MCULE-6960087394,PC-id_70711385,ZINC22_82091700,EMOLS-id_44425833	350.414	YSCRGUMBXIRMGZ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-077752
c1(C(=O)Nc2ccc(c(c2)n2cccc2)OC)c2CCCCCc2[nH]n1	EMOLS-id_323255995,MCULE-8618787644	350.414	NVNOMSSBKNAMDC-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-077753
c1(C(=O)Nc2ccc(cc2OC)n2cccc2)c2CCCCCc2[nH]n1	MCULE-4548248944,EMOLS-id_323252412	350.414	PNUQQYBHXWWNFM-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-077754
c1(C(=O)Nc2ccn(Cc3ccc(cc3)C)n2)c2CCCCCc2on1	CHEMBL1559993,ChEMBL-DNDi_CHEMBL1559993,ZINC22_2465841,TIMTEC407426,EMOLS-id_6686920,MCULE-3401101669,BindingDB-id_67766,BindingDB_PC-id_3242754,PC-id_3242754	350.414	QOEZQZACWCYCAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077755
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)cc(on1)c1ccccc1	PC-id_70764617,MCULE-6048356872,EMOLS-id_43591401,ZINC22_77471596	350.414	SFLKOFAUZXXQIM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077756
Cc1ccc(cc1)c1cnc(o1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318331520	350.414	HLPLIRVAEOKXHE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077757
Cc1ccc(cc1)n1nc(cc1C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101031547	350.414	GDPNVZDASONWMX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077758
Cc1ccc(c(c1)NC(=O)c1noc2c1CCCCC2)n1ncc(c1)C	EMOLS-id_101053378	350.414	FEESLMKAFBXZCO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077759
Cc1ccc(o1)c1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319806155	350.414	HUQRLJKAIKZRTB-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-077760
Cc1cc(n(n1)c1ccccc1NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_100924839	350.414	HGJULHQUVBVQCW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077761
Cc1cc(n(n1)c1cccc(c1)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_100930206	350.414	OMYQWYIQKPPYNZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077762
Cc1c(occ1)CN1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	PC-id_137652216	350.414	WZGOMGZGTMUFDR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-077763
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)CNc2ccccc2)C1	PC-id_137650639	350.414	BSGMAWKQPSOBMH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-077764
Cc1oc(c(c1)C(=O)N1CCc2n(CC1)c(nn2)Cc1ccccc1)C	ChEMBL-DNDi_CHEMBL49752364	350.414	CXNBLZCBVKVNFB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-077765
Cn1cccc1C(=O)N1Cc2cncn2CCC1COc1ccccc1	EMOLS-id_313817893	350.414	OFEOGGMEUUGERD-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-077766
Cn1cccc1C(=O)N1Cc2cncn2CC[C@H]1COc1ccccc1	ZINC22_585097626	350.414	OFEOGGMEUUGERD-INIZCTEOSA-N	00000000110000110101000000000010000000000000000000000000	31-01-077767
Cn1cccc1C(=O)N1Cc2cncn2CC[C@@H]1COc1ccccc1	ZINC22_585097627	350.414	OFEOGGMEUUGERD-MRXNPFEDSA-N	00000000110000110101000000000010000000000000000000000000	31-01-077768
Cn1cc([C@@H](NC(=O)N2CCCc3occc3C2)c2ccccc2)cn1	ZINC22_365791695	350.414	CQYKBLKYSBTKQL-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-077769
Cn1cc([C@H](NC(=O)N2CCCc3occc3C2)c2ccccc2)cn1	ZINC22_365791700	350.414	CQYKBLKYSBTKQL-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077770
Cn1ncc(c1)C(c1ccccc1)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_177234983,MCULE-9485441836	350.414	CQYKBLKYSBTKQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077771
CN(Cc1nnc2n1CCOCC2)c1ccccc1Oc1ccccc1	MCULE-1591308040,EMOLS-id_320298701,ZINC22_1614994813	350.414	OMOXSJBCXFFXGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077772
CO/C(=C/C)/C=CCc1n2CC=CC=Cc2c(c1C)N=C1C=NNC1=O	PC-id_143215564	350.414	CDNHJLDXLQYGQX-LSWYJPLISA-N	00000011100000000111000000000010000000000000000000000000	31-01-077773
N#Cc1ccccc1N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111406300	350.414	HGMFTPWMDAVATQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-077774
N#Cc1ccc(cc1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_316627099	350.414	XUOKCAKITNEKDX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-077775
O(C1=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=C(C1=O)CC=C)C	PC-id_52472333	350.414	LWPCRVKHUGIUIM-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-077776
O(c1c(OC)cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)CC=C	PC-id_51167039	350.414	SHZGKXMPNJNXRW-VBKFSLOCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077777
O(c1c(OC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1)CC=C	PC-id_75619604	350.414	SHZGKXMPNJNXRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077778
O(c1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)CC=C	PC-id_8275340	350.414	SHZGKXMPNJNXRW-FOWTUZBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077779
O=C(c1cc2ccccc2[nH]1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_585099203	350.414	ULYZBRSBSODKNB-KRWDZBQOSA-N	00100000100000100101000001100010000000000000000000000000	31-01-077780
O=C(c1cc2ccccc2[nH]1)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_585099204	350.414	ULYZBRSBSODKNB-QGZVFWFLSA-N	00100000100000100101000001100010000000000000000000000000	31-01-077781
O=C(c1c(C)onc1c1ccccc1C)N1CCCc2c(C1)cnn2C	EMOLS-id_101678195	350.414	ROJPPEHPNMHSPL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077782
O=C(c1noc2c1CCCCC2)Nc1cc(nn1C)c1ccccc1C	EMOLS-id_101056186	350.414	OUIWKRUAQOCOGN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077783
O=C(N1CC(Cn2nccc2C1)OCC1CC1)c1cc2ccccc2[nH]1	EMOLS-id_313732530	350.414	ULYZBRSBSODKNB-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-077784
O=C(NCc1cccnc1)C1CN(Cc2ccoc2)Cc2cccn2C1	EMOLS-id_50014580	350.414	FISHRAXEOHGRMJ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-077785
O=C(NCc1cccnc1)[C@@H]1CN(Cc2ccoc2)Cc2cccn2C1	ZINC22_247470608	350.414	FISHRAXEOHGRMJ-GOSISDBHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-077786
O=C(NCc1cccnc1)[C@H]1CN(Cc2ccoc2)Cc2cccn2C1	ZINC22_247470621	350.414	FISHRAXEOHGRMJ-SFHVURJKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-077787
O=C(NCCc1nnc2n1CCCCC2)c1occc1c1ccccc1	PC-id_47017168,GD-id_ZINC48326497,EMOLS-id_30715317,MCULE-4394064616,ZINC22_48326497	350.414	UXMBWJRTDWUMPD-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-077788
O=C(NCC(=O)N1CCOCC1)NCCc1nnc2n1CCCCC2	EMOLS-id_98842947	350.416	AXXKHUYOCSIEQW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077789
s1c([n+](nc1CC)C)C(=O)N1CCCn2c(C1)cc(c2)C(=O)NO	PC-id_58465733	350.416	UFFHWGOQVKMLBH-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-077790
c12CN(CCCn1nc(C)c2)C(=O)Nc1ccc(cc1)n1ccnc1C	MCULE-6071870252,EMOLS-id_68888531,PC-id_118769458,ZINC22_299760890	350.418	ROSBJYAOEXUDMA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077791
c12CN(CCCn1nc(CNc1cccc(n1)C#N)c2)C(=O)C1CCC1	EMOLS-id_44450277,ZINC22_82160313,PC-id_70781524,MCULE-8311553738	350.418	NQLVWVDQRJUGHV-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-077792
c12CN(CCCn1nc(CNc1ccc(cn1)C#N)c2)C(=O)C1CCC1	PC-id_70772355,ZINC22_82139258,EMOLS-id_44447087,MCULE-8200577181	350.418	VWHDKTMPQUVALC-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-077793
c12CN(CCCn1nc(CNc1cc(ccn1)C#N)c2)C(=O)C1CCC1	ZINC22_82121154,PC-id_70751004,MCULE-9516419340,EMOLS-id_44439757	350.418	LQBOGLYGCGHJTI-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-077794
c12CN(CCCn1nc(CNc1ncccc1C#N)c2)C(=O)C1CCC1	EMOLS-id_44444135,MCULE-4404644364,ZINC22_82136730,PC-id_70763748	350.418	DEEVZCFAQYFHAG-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-077795
c1ccc(Cc2nnc3n2CCN(Cc2noc(C4CC4)n2)CC3)cc1	MCULE-1080611578,PC-id_91829071,ZINC22_244724086,EMOLS-id_55606500	350.418	MNGXTXOOXGSMNB-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-077796
c1(cc(n[nH]1)C)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	EMOLS-id_36459515,MCULE-4123554716,ZINC22_67909173,PC-id_56719524	350.418	YZMXANLWJYQEQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077797
c1(CN(C)C(=O)c2cccc(c2)n2cnnc2)c2CCCCCc2[nH]n1	MCULE-8618089100,PC-id_72879676,EMOLS-id_46055323,ZINC22_91616991	350.418	RVWLSRROKOSMEW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077798
c1(C(=O)Nc2ccccc2Cn2ccnc2C)cn2c(CCNCC2)n1	MCULE-4463076692,ZINC22_1857738528,EMOLS-id_330464863	350.418	MBMOYUNJUAJPHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077799
c1(C(=O)Nc2n[nH]c(CCc3ccccc3)n2)c2CCCCCc2n[nH]1	PC-id_75357000,MCULE-1618584025,ZINC22_96232363,STOCK7S-47566,EMOLS-id_50400448,EMOLS-id_49249533	350.418	BJABUUNUIBNFSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077800
c1(C(=O)NCc2c3CCCCCc3[nH]n2)cnn(c2ccccn2)c1C	ZINC22_670441487,MCULE-5682005054,EMOLS-id_222758694	350.418	SWYQDUAFZHEOFQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-077801
c1(C(=O)NCc2cc3n(CCCNC3)n2)c(C)[nH]c(c2ccccc2)n1	MCULE-9490154996,EMOLS-id_44441761,ZINC22_82126506,PC-id_70756756	350.418	NILXKEKFKCNOEC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077802
c1(C(=O)NC(c2ccccc2)Cn2cccn2)cn2c(CCNCC2)n1	EMOLS-id_330440007,MCULE-5530905208	350.418	IVJJYKLPAYURQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077803
c1(C(=O)NCc2ccccc2Cn2cccn2)cn2c(CCNCC2)n1	EMOLS-id_330474253,MCULE-3258328623,ZINC22_1857719251	350.418	HYKMUWJKELIXMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077804
c1(C(=O)NC(c2ccccc2)Cn2cccn2)nnc2CCCCCn12	EMOLS-id_232846331,MCULE-6725237379	350.418	LCJPJQKEIOANSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077805
c1(C(=O)NCc2ccccc2n2ccnc2)cc2n(CCCN(C)C2)n1	ZINC22_65528384,EMOLS-id_32435134,MCULE-3975509565,PC-id_50983614	350.418	BEJQOPSXFBNCBW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077806
c1(C(=O)NCc2ccccc2n2ccnc2C)cn2c(CCNCC2)n1	ZINC22_1857737510,EMOLS-id_330434390,MCULE-8195803651	350.418	PYAZUVUHTYRIAX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077807
c1(nc(C)cc(NCc2cc3n(CCCNC3)n2)n1)c1ccccc1O	MCULE-5466167700,PC-id_136275429,EMOLS-id_44443875,ZINC22_82134989	350.418	NNRSZQGSDLXDQH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077808
Cc1ncn(c2ccc(NC(=O)[C@@H]3CCc4nncn4CC3)cc2)c1C	ZINC22_880076776	350.418	IPUXLXUWCFOKEC-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077829
c1(nc(C)cc(NCc2nnc3CCCCCn23)n1)c1ccccc1O	PC-id_136250945,EMOLS-id_46050293,MCULE-7159691482,ZINC22_91563260	350.418	YNXQNPZOOGOKIL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077809
c1([nH]cnc1C)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	EMOLS-id_36459905,PC-id_56719717,ZINC22_67910165,MCULE-7380651509	350.418	ZLSDAAUXHMDTOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077810
CC1Cc2nnc(COc3cccnc3)n2CCN1Cc1cccnc1	EMOLS-id_313745338	350.418	KOPCBZRZCXCLKI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077811
Cc1ccc(c2cc(C(=O)NCc3nnc4n3CCCCC4)[nH]n2)cc1	CoCoCo_503797,EMOLS-id_30446673,ZINC22_19718251,MCULE-7179429005,PC-id_46975715,CoCoCo_503798,SYN-22868521	350.418	JXNADONZJINSAO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077812
Cc1ccc(cc1)CC(=O)N1CCCn2c(C1)c(nn2)Cn1cccn1	PC-id_97405543	350.418	WFGRVSXODBKXKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077813
Cc1ccc(cc1C)C(=O)N1CCCn2nnc(Cn3cccn3)c2C1	ZINC22_96259536,EMOLS-id_44370620,PC-id_97519618	350.418	JAUNETOOJSGPRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077814
Cc1ccc(cc1C)C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1	EMOLS-id_44370600,ZINC22_96259526,PC-id_97519608	350.418	HMETWYSCKNZVTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077815
Cc1ccc(c(c1)C)n1ncc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316716760	350.418	FXFXWJVVPSILTG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077816
Cc1cccc(c1)n1nnc(c1C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670151	350.418	NGZWACZLMIXVBW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077817
Cc1ccc(cc1)n1nnc(c1C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670163	350.418	WIYKYSKHIXIKPH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077818
Cc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)n1ncc(c1)C	EMOLS-id_278162817	350.418	RTEPUTZMLQQCTH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077819
Cc1cc(C)cc(c1)C(=O)N1CCCn2nnc(Cn3cccn3)c2C1	EMOLS-id_44370622,ZINC22_96259537,PC-id_97519619	350.418	UKTFXAIYBUJJCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077820
Cc1cc(C)cc(c1)C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1	PC-id_97405535,EMOLS-id_46182447,ZINC22_96084712	350.418	KJFKGJWYCMYIHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077821
Cc1cc(n(n1)c1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316489716	350.418	KSVRBNLOEOSQOJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077822
Cc1cc(n(n1)c1ccccc1NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_320071014,MCULE-9103125489	350.418	BEEZNUJLFZPAOL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077823
Cc1ccnn1c1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1	ZINC22_48277590,EMOLS-id_30675260,PC-id_47014567,MCULE-9836126630	350.418	KPPDGZJQCGRRHL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077824
Cc1cncc(CN2Cc3ccnn3CCC2COc2ccccn2)n1	EMOLS-id_313820450	350.418	CQDAFTLZROKGPO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077825
Cc1cncc(CN2Cc3ccnn3CC[C@@H]2COc2ccccn2)n1	ZINC22_585096774	350.418	CQDAFTLZROKGPO-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077826
Cc1cncc(CN2Cc3ccnn3CC[C@H]2COc2ccccn2)n1	ZINC22_585096775	350.418	CQDAFTLZROKGPO-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077827
Cc1ncn(c2ccc(NC(=O)[C@H]3CCc4nncn4CC3)cc2)c1C	ZINC22_880076774	350.418	IPUXLXUWCFOKEC-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077828
Cc1nn(c(c1)C)c1ccc(cn1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670049	350.418	SUCXRPQGTRWNPT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-077830
CCc1ccc(cc1)C(=O)N1CCCn2nnc(Cn3cccn3)c2C1	PC-id_97519617,EMOLS-id_44370618,ZINC22_96259535	350.418	FFIYEWMHAHQCJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077831
CCc1ccc(cc1)C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1	ZINC22_96259525,EMOLS-id_44370598,PC-id_97519607	350.418	CYEUPGBKVKJQLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077832
CC(c1cccc(c1)n1cccn1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319469506	350.418	WRWJIXISKWFUMY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077833
CCc1ccc(C(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)[nH]1	MCULE-3956129931,PC-id_118796139,EMOLS-id_82744105,ZINC22_426739725	350.418	JTXPIEMKILDQOI-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-077834
C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1Cc1cccnc1	ZINC22_585097504	350.418	KOPCBZRZCXCLKI-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077835
C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1Cc1cccnc1	ZINC22_585097508	350.418	KOPCBZRZCXCLKI-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077836
Cn1cccc1C(=O)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_248103055	350.418	FGTSLNAPYZRSSR-HNNXBMFYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-077837
Cn1cccc1C(=O)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_248103064	350.418	FGTSLNAPYZRSSR-OAHLLOKOSA-N	00000000110000101101000000000010000000000000000000000000	31-01-077838
Cn1cccc1C(=O)N1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_50371751	350.418	FGTSLNAPYZRSSR-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-077839
Cn1ncc(c1)c1ccccc1CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320319520,MCULE-1959022320	350.418	CBGYLJSKHWBLIW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077840
Cn1ncc(c1)CNc1ccc(cc1)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_278991271	350.418	JVINNSRYNHQQFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077841
CN(Cc1nnc2n1CCCCC2)C(=O)c1cc(n2cccc2)ccn1	ZINC22_562237687	350.418	ZPYXROMAVLKAQN-UHFFFAOYSA-N	00000000110000101101100000000010000000000000000000000000	31-01-077842
CN(C(=O)C1CCn2c(CC1)nnc2)Cc1[nH]cc(n1)c1ccccc1	EMOLS-id_316636505	350.418	FIBCVPWHJSCLQL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077843
n12CCCNCc1cc(CCC(=O)Nc1cccc(c1)c1cnc[nH]1)n2	EMOLS-id_43159354,MCULE-1940468998,PC-id_70769655,ZINC22_72473430	350.418	SLOJAZJFLHRKHX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077844
n12CCCNCc1cc(CCC(=O)Nc1ccccc1n1cccn1)n2	MCULE-2856904528,PC-id_70720401,ZINC22_72409305,EMOLS-id_43083177	350.418	QTAUVXFZCNGHFF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077845
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)Cn1ccnc1	PC-id_118794333,EMOLS-id_68938564,ZINC22_299794595,MCULE-8364965948	350.418	KHERWRKBALVXRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077846
n12CCNCCc1nnc2CCNC(=O)c1ccc(c2ccccc2)[nH]1	ZINC22_67643568,MCULE-8707431832,EMOLS-id_36428468,PC-id_56704550	350.418	HEHMUZBOLMSCKD-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-077847
n1(ccnc1c1ccccc1)CC(=O)NCc1cc2n(CCCNC2)n1	PC-id_70769113,MCULE-8580409312,ZINC22_82139395,EMOLS-id_44446009	350.418	RBZPWKXXVCSDRP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077848
N#Cc1ccccc1N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319109951	350.418	NORVVXDBSUMNAE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-077849
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(nc1)N1CCCC1	EMOLS-id_100295904	350.418	KLOYDVHZOVREPO-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-077850
O=C1/C(=C/2NC(=CC(=N2)NCc2nn3CCCNCc3c2)C)/C=CC=C1	PC-id_70763041	350.418	UBNXVUXMYFIFJB-KNTRCKAVSA-N	00000000100011000101100000000010000000000000000000000000	31-01-077851
O=C1/C(=C/N=C(NCc3n4CCCCCc4nn3)C=C(N2)C)/C=CC=C1	PC-id_72872716	350.418	OOLYGHTZTSCCDW-XMHGGMMESA-N	00000000100011000101100000000010000000000000000000000000	31-01-077852
O=C(c1cccc(c1)n1cccn1)N1CCn2c(CC1)nnc2C(C)C	ChEMBL-DNDi_CHEMBL44038117	350.418	SKMZLZLSUMNKJD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077853
O=C(C1CCn2c(CC1)nnc2)Nc1ccnn1CCc1ccccc1	MCULE-5262210441,EMOLS-id_319832741	350.418	FPEZKUQLLQXWIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077854
O=C(C1CCn2c(CC1)nnc2)NCc1cnn(c1)Cc1ccccc1	EMOLS-id_319753243	350.418	CQBREYAEMGUTHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077855
O=C(C1CCn2c(CC1)nnc2)NC(c1nccn1c1ccccc1)C	EMOLS-id_320064058,MCULE-8799969528	350.418	IJYDRJFYJMJAEL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077856
O=C(C1CCn2c(CC1)nnc2)NCCc1cnn(c1)c1ccccc1	EMOLS-id_320233038,MCULE-8742417369	350.418	IBIJLRKCTNQBCY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077857
O=C(c1cncn1c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_93906977	350.418	JKOUWMWPCIEPKI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077858
O=C(c1n[nH]c2c1CCCCC2)N(C(c1[nH]cnn1)c1ccccc1)C	EMOLS-id_278899789	350.418	JYCQRXAXERMYOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077859
O=C(Cc1cnn(c2ccccc2)c1)NCc1nnc2n1CCCCC2	PC-id_40138845,CoCoCo_4625796,EMOLS-id_25022469,MCULE-7698658466,ZINC22_32902614	350.418	QMDVBQOMCVYUDC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077860
O=C(NCc1n2CCCCCc2nn1)c1c(n(nc1)c1ccccc1)C	PC-id_24676719	350.418	SFYRZKPSBYPRFI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077861
O=C(NCc1nnc2n1CCCCC2)c1ccc(Cn2cccn2)cc1	EMOLS-id_44054351,ZINC22_48342393,MCULE-5646399740,PC-id_47019792	350.418	UGHGSFALJSVFCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077862
O=C(NCc1nnc2n1CCCCC2)c1cnn(Cc2ccccc2)c1	PC-id_47014570,EMOLS-id_30677630,ZINC22_48279782,MCULE-1095222412	350.418	WTPFLJJXNVFBPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077863
O=C(NCCc1nnc2n1CCCCC2)c1cnn(c2ccccc2)c1	EMOLS-id_30697468,MCULE-2332510553,PC-id_47016875,ZINC22_48304236	350.418	KOWYQLKTSUNGIE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-077864
O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1cn2c(n1)CCNCC2	ZINC22_1857735642	350.418	IVJJYKLPAYURQI-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077865
O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cn2c(n1)CCNCC2	ZINC22_1857735643	350.418	IVJJYKLPAYURQI-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077866
O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1nnc2n1CCCCC2	ZINC22_828219155	350.418	LCJPJQKEIOANSV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077867
O=C(N[C@H](Cn1cccn1)c1ccccc1)c1nnc2n1CCCCC2	ZINC22_828219156	350.418	LCJPJQKEIOANSV-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077868
O=S(=O)(c1cnc2c(c1)scc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102026794	350.419	PEGBPTVKJPGYQF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-077869
CC(C(=O)N1CCNC1=O)OC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_43423503,MCULE-1303512123,PC-id_16311857	350.433	UTKYEITXXZCREW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077870
C[C@@H](OC(=O)c1cc2c(s1)CCCCCC2)C(=O)N1CCNC1=O	CoCoCo_4178487,ZINC22_7823506,PC-id_8943178	350.433	UTKYEITXXZCREW-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077871
C[C@H](OC(=O)c1cc2c(s1)CCCCCC2)C(=O)N1CCNC1=O	PC-id_8943175,CoCoCo_4178486,ZINC22_7823503	350.433	UTKYEITXXZCREW-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-077872
CCOC(=O)c1c(N=N/C(=C(/O)C)/C(=O)C)sc2c1CCCCC2	PC-id_145977306	350.433	UOTSJTOYPLNVFH-QBLKWEPVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-077873
Fc1ccccc1CN1CCc2nnc(CCc3ccccc3)n2CC1	MCULE-8552701147,CoCoCo_1344635,ChEMBL-DNDi_CHEMBL38560757,EMOLS-id_20550675,CoCoCo_1344636,ZINC22_12244128,PC-id_42481449	350.433	OVASXPGJNXQELK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077874
Fc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1	CoCoCo_1141772,ChEMBL-DNDi_CHEMBL12657773,PC-id_42381771,EMOLS-id_20407558,CoCoCo_1141773,MCULE-7429516450,ZINC22_12055293	350.433	DSANGUPYIPWBOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077875
s1c2CCCCCc2cc1C(=O)OCC1N(C(=O)N(C(=O)C1)C)C	PC-id_74297915	350.433	RBDLRIYFOYWIDA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077876
s1c2c(CCCCC2)c(c1NC(=O)C1CC1)C(=O)NC(=O)OCC	PC-id_7521924	350.433	NRNYGCZCQOFAMB-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-077877
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)NC1CC1	PC-id_7618115	350.433	NMNQBYNTUABZEN-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-077878
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)NCC=C	PC-id_45655411	350.433	VKEBANJTGQZKSV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-077879
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Cc1ccc(CS(=O)(=O)NC2CCc3n[nH]c(=O)n3CC2)cc1C	PC-id_91910819,MCULE-4381020723,EMOLS-id_50586047	350.436	ZXAWVTHACIYTGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077881
CC1(C)NC(=O)N(CC(=O)Nc2nc3CCCCCCc3s2)C1=O	CoCoCo_496921,ZINC22_19460081,PC-id_46971680,EMOLS-id_30439359,SYN-20047744,MCULE-3904763857	350.436	VMBZKWZIFFUBDB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077882
CC(C)c1ccc(cc1)S(=O)(=O)N1CCc2nn(C)c(=O)n2CC1	MCULE-1735498320,EMOLS-id_168607823	350.436	KESSATLHDZVHEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077883
CC(C)c1csc(C(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)n1	PC-id_100090834,ZINC22_222347886	350.436	IXJKRWCIFLWFKN-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077884
CC(C)c1csc(C(=O)N2CCCn3nc([C@H](O)CO)cc3C2)n1	PC-id_100090837,ZINC22_222347948	350.436	IXJKRWCIFLWFKN-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077885
CC(C)c1csc(n1)C(=O)N1CCCn2nc(cc2C1)C(O)CO	PC-id_91782541,EMOLS-id_55667223,MCULE-5587428932	350.436	IXJKRWCIFLWFKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077886
CC(COc1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_316707071	350.436	WCHMWRUZPRPBHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077887
CC(Oc1ccc(cc1C)S(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_316707583	350.436	SQWVCBFMSUWXEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077888
CC(=O)N1CCN(CC1)C(=O)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111809530	350.436	FSIZDXJWKMCNHF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077889
CCS(=O)(=O)N1Cc2cncn2C[C@H](COCc2ccccn2)C1	PC-id_97477473,ZINC22_96209346	350.436	HRTMGKZKNCZMGJ-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077890
CCS(=O)(=O)N1Cc2cncn2C[C@@H](COCc2ccccn2)C1	ZINC22_96209347,PC-id_97477474	350.436	HRTMGKZKNCZMGJ-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077891
CCS(=O)(=O)N1CC(COCc2ccccn2)Cn2cncc2C1	EMOLS-id_49233149	350.436	HRTMGKZKNCZMGJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-077892
CN1C(CC(=O)Nc2nc3CCCCCCc3s2)C(=O)N(C)C1=O	MCULE-2637345921,EMOLS-id_316187800,PC-id_134695424	350.436	HSCKOSGSEGGVHZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077893
CN1C(=O)[C@@H](CC(=O)Nc2nc3c(s2)CCCCCC3)N(C)C1=O	ZINC22_1529089580	350.436	HSCKOSGSEGGVHZ-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077894
CN1C(=O)[C@H](CC(=O)Nc2nc3c(s2)CCCCCC3)N(C)C1=O	ZINC22_1529089581	350.436	HSCKOSGSEGGVHZ-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-077895
CN(C1CCc2nn(Cc3ccccc3)c(=O)n2CC1)S(=O)(=O)C	MCULE-2145325368,EMOLS-id_97042245	350.436	XTKVZIQCHCBUNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077896
CN(C)S(=O)(=O)N1CCCn2c(cc(n2)C(c2ccccc2)O)C1	PC-id_91780995	350.436	SXYHZEHZQUWFLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077897
CNS(=O)(=O)c1ccc(CN2CCCn3nc(CO)cc3C2)cc1	EMOLS-id_55685409,PC-id_91788844,MCULE-6709483726	350.436	YTSRMUQITIQARI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077898
COCc1nnc2CC(C)N(CCn12)S(=O)(=O)c1ccccc1C	EMOLS-id_313825321	350.436	QGCHXDKBRXOPDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077899
COCc1nnc2CC(C)N(CCn12)S(=O)(=O)c1cccc(C)c1	EMOLS-id_313824810	350.436	CUKZQRGCQVLLQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077900
COCc1nnc2n1CCN(S(=O)(=O)c1ccccc1C)[C@H](C)C2	ZINC22_585097999	350.436	QGCHXDKBRXOPDU-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077901
COCc1nnc2n1CCN(S(=O)(=O)c1ccccc1C)[C@@H](C)C2	ZINC22_585098000	350.436	QGCHXDKBRXOPDU-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077902
COCc1nnc2n1CCN(S(=O)(=O)c1cccc(C)c1)[C@H](C)C2	ZINC22_585096935	350.436	CUKZQRGCQVLLQD-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077903
COCc1nnc2n1CCN(S(=O)(=O)c1cccc(C)c1)[C@@H](C)C2	ZINC22_585096938	350.436	CUKZQRGCQVLLQD-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077904
COCc1nnc2n1CCN(S(=O)(=O)c1ccc(C)cc1)[C@H](C)C2	ZINC22_585098525	350.436	UPARZMPLZNHWFO-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077905
COCc1nnc2n1CCN(S(=O)(=O)c1ccc(C)cc1)[C@@H](C)C2	ZINC22_585098526	350.436	UPARZMPLZNHWFO-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077906
COCCC(=O)N1Cc2ccnn2C[C@@H](OCc2csc(C)n2)C1	ZINC22_248061611	350.436	VZCSFNFAEOYEHA-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077907
COCCC(=O)N1Cc2ccnn2C[C@H](OCc2csc(C)n2)C1	ZINC22_248061618	350.436	VZCSFNFAEOYEHA-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077908
COCCC(=O)N1CC(Cn2nccc2C1)OCc1csc(C)n1	EMOLS-id_50011208	350.436	VZCSFNFAEOYEHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077909
OC[C@@H](c1nn2c(c1)CN(CCC2)CC(=O)NCc1cccs1)O	PC-id_99973944	350.436	JDHWFPULZGEVDE-HNNXBMFYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-077910
OC[C@H](c1nn2c(c1)CN(CCC2)CC(=O)NCc1cccs1)O	PC-id_99973945	350.436	JDHWFPULZGEVDE-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-077911
OCC(O)c1cc2CN(CC(=O)NCc3cccs3)CCCn2n1	EMOLS-id_55638056,PC-id_91772459,MCULE-3365440109	350.436	JDHWFPULZGEVDE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-077912
O[C@H](c1nn2c(c1)CN(CCC2)S(=O)(=O)N(C)C)c1ccccc1	PC-id_100064400	350.436	SXYHZEHZQUWFLB-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077913
O[C@@H](c1nn2c(c1)CN(CCC2)S(=O)(=O)N(C)C)c1ccccc1	PC-id_100064402	350.436	SXYHZEHZQUWFLB-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077914
O=C(Nc1sc2c(n1)CCCCCC2)CCCN1C(=O)CNC1=O	PC-id_86834867	350.436	NDRWRBGKJIORLA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077915
s1c2CCCCCc2nc1NC(=O)CCC1C(NC(=O)NC1=O)C	PC-id_74459517	350.436	VHNZICBCZLDZBJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077916
N#Cc1c(NC(=O)c2cn3c(n2)cc(cc3)C)sc2c1CCCCC2	EMOLS-id_36991283,MCULE-6027075293,PC-id_56827854	350.437	BJIDYEGODVXEGD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-077917
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Cc1cc(C)nc(NCc2cc3CN(CCCn3n2)S(=O)(=O)C)n1	PC-id_70740823,MCULE-2380390726,ZINC22_82109639,EMOLS-id_44436209	350.439	KEMQIRHIKDGFLZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-077919
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CCc1nc(cn1CC1CC1)S(=O)(=O)N1CCCn2c(C1)cnn2	MCULE-1205471158,EMOLS-id_320233200	350.439	OVIGFCJJEMGMHS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-077921
CSCc1noc(CNC(=O)CCc2cc3CNCCCn3n2)n1	ZINC22_72433241,PC-id_70715257,EMOLS-id_43073855,MCULE-3831145159	350.439	ZJPVZKFWNLDKNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077922
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CCC(CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)CC	PC-id_145451893	350.443	SWPDGCSCTBWKLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077926
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CCCCC(S(=O)(=O)O)CCOC1COc2c(OC1)csc2	PC-id_140307235	350.451	JSEACVOLZUNHDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077928
CC(CC(S(=O)(=O)O)CCOC1COc2c(OC1)csc2)C	PC-id_140307229	350.451	UWUMFEWINATYHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077929
CCOC(=O)n1nc2c(c1C(=O)OCC)CCCCCCCCCC2	PC-id_101864991	350.453	DBYULIVTGDVMOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077930
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OCCCc1c2c([nH]c1C=C1c3c(NC1=O)cccc3C)CCCCC2	PC-id_72651841	350.454	BXNGYXJYNPLUKM-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-077932
S1(=O)(=O)CC(CC(NCC(C)C)c2c1oc(S(=O)(=O)N)c2)C	PC-id_67947980	350.454	QDNAQNQQBOGNQW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-077933
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c12CN(CCCn1nc(CCC(=O)NC1CCCC1)c2)C[C@@H](CO)O	EMOLS-id_44436667,MCULE-1879577356,PC-id_70742107,ZINC22_82114669	350.456	LNLIFKGSUGIGCH-KRWDZBQOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077935
c12CN(CCCn1nc(CCC(=O)O)c2)CC(C)(C)N1CCOCC1	MCULE-5348146275,PC-id_56895742,EMOLS-id_43113291,ZINC22_72426488	350.456	WRWPSHYMADMNMN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077936
c1(C(O)C2CC2)cc2n(CCCN(C(=O)CCN(C)CCOC)C2)n1	MCULE-8865363694,EMOLS-id_55653040,PC-id_91777652	350.456	OUFYYNSJBWTFOV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-077937
c1(C(=O)N2C[C@@H]([C@@H](OC(C)C)C2)O)cc2n(CCCN(C(C)C)C2)n1	PC-id_50981332,ZINC22_65507862,EMOLS-id_32430882,MCULE-1090498414	350.456	PKQZLZMEDSCMEG-IRXDYDNUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077938
CC1CCN(CC1)C(=O)CCN1CCCn2nc(cc2C1)C(O)CO	EMOLS-id_55654550,MCULE-4012161428,PC-id_91778197	350.456	HSXQEPVARWBAIR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077939
CC1CCN(C(=O)CCN2CCCn3nc([C@@H](O)CO)cc3C2)CC1	ZINC22_220368039,PC-id_100057378	350.456	HSXQEPVARWBAIR-KRWDZBQOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077940
CC1CCN(C(=O)CCN2CCCn3nc([C@H](O)CO)cc3C2)CC1	ZINC22_220368117,PC-id_100057380	350.456	HSXQEPVARWBAIR-QGZVFWFLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077941
CC(C)(C)OC(=O)N1CCCc2nn(c(c2C1)OC1CCNCC1)C	PC-id_136590235	350.456	LWARAQQMANFHEA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077942
CC(C)(C)OC(=O)N(Cc1ncn2c1CNCCC2)C1CCOCC1	ZINC22_101736254,PC-id_121229759,EMOLS-id_50370935	350.456	IAJHVUVCLOSAFX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077943
CCOC(=O)c1csc(n1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_257844934,MCULE-4852767201,PC-id_51146432	350.456	YSZSIRRCPRWUON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077944
COCCN(C)CCC(=O)N1CCCn2nc([C@H](O)C3CC3)cc2C1	PC-id_100056049,ZINC22_220296173	350.456	OUFYYNSJBWTFOV-GOSISDBHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-077945
COCCN(C)CCC(=O)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_220296100,PC-id_100056047	350.456	OUFYYNSJBWTFOV-SFHVURJKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-077946
CS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1	PC-id_17519449,CoCoCo_4546171,EMOLS-id_16732268,MCULE-8354313196,ZINC22_12827974	350.456	OLCNSRUZLUDAJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077947
CS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1	ZINC22_14169858,EMOLS-id_13521245,PC-id_17459226,MCULE-2751961061,CoCoCo_4546164	350.456	ZNEXTQWOGKQPFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077948
NC(=O)c1c(sc2c1CCCCC2)NS(=O)(=O)c1ccccc1	PC-id_143219592	350.456	DCFQLPOYBXAOKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077949
NS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1	MCULE-9512834745,EMOLS-id_43817116,ZINC22_7911036,PC-id_9034844,CoCoCo_3234361	350.456	VZDIJLYZAOJRRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077950
OC1(CCCN(C1=O)CCOC)CNCc1n[nH]c2c1CCCCC2	PC-id_56718144	350.456	JEXPDJUNGVXUQJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077951
O(C1C(O)CN(C1)C(=O)c1nn2c(CN(CCC2)C(C)C)c1)C(C)C	PC-id_75594878	350.456	PKQZLZMEDSCMEG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077952
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O=C(c1cc2c(s1)CCCCC2)NCCc1scc(n1)C(=O)O	PC-id_121652451	350.456	HPZKRVAGIXGRID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077954
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1ccccc1	PC-id_17510380,MCULE-1718643856,EMOLS-id_16706487,CoCoCo_3538101	350.456	QEKQLZFRKFGXBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077955
OC(CN1CCCn2nc(CCC(=O)NC3CCCC3)cc2C1)CO	PC-id_77851435	350.456	LNLIFKGSUGIGCH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077956
O=S(=O)(c1ccc2c(c1)CCO2)Nc1nc2c(s1)CCCCC2	EMOLS-id_110211523	350.456	YVVPZFQGJDDOPV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-077957
O=S(=O)(c1ccc2c(c1)COC2)Nc1nc2c(s1)CCCCC2	EMOLS-id_110748836	350.456	SXEDMZOVDURHEA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-077958
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N)ccc1	PC-id_9068610	350.456	ODLKWMUKQHAPMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-077959
s1c2CCCCCc2cc1C(=O)Nc1scc(n1)CC(=O)OC	PC-id_38986241	350.456	HESWCCKEMTXUFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077960
s1c2CCCCCc2cc1C(=O)OCc1nc(sc1)NC(=O)C	PC-id_32219088	350.456	KDHOMAKQJZPRQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077961
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1scc(n1)C	PC-id_31634573	350.456	ZMJYKOWWFPHSGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077962
s1c2c(CCCCC2)c(c1NC(=O)c1scnc1C)C(=O)OC	PC-id_55872940	350.456	XLECJLBUDQYJIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077963
s1c2CCCCCCc2nc1NC(=O)c1sc(cc1)C(=O)OC	PC-id_56021084	350.456	AERLXGQEZFUUBQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-077964
c1(C(O)C2CCC2)cc2n(CCCN(Cc3cccc4cc[nH]c34)C2)n1	PC-id_91768903,EMOLS-id_55627966,MCULE-7073894950	350.457	YZUWRTNTUKXAIV-UHFFFAOYSA-N	00001000100000100101000001100010000000000000000000000000	31-01-077965
c1(C(=O)NC2CC2)cc2n(CCCN(CC(=Cc3ccccc3)C)C2)n1	MCULE-4405128758,PC-id_72078655	350.457	BCUOWIUMQPUWDJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-077966
c1(C(=O)NC2CCC2)cn2c(CCN(CC=Cc3ccccc3)CC2)n1	MCULE-7741792012	350.457	VUAXVRISOXWJNX-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-077967
c1(C(=O)Nc2cccc3c2ccn3CC(C)C)c2CCCCCc2[nH]n1	EMOLS-id_323251893,MCULE-3551471298	350.457	IHRBDMUKFSDMFV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-077968
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)c(C)c2c(ccc(C)c2)[nH]1	PC-id_70734198,EMOLS-id_44715532,ZINC22_91575331,MCULE-7968027462	350.457	FMSLXMVLJMCNJA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-077969
C=C1CC(C1)(C)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_316470822,MCULE-9489130760	350.457	HVNIVMAFSIYYTH-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-077970
CC1=C(CCC1)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_99803810	350.457	VMYTZXCBWIKKKV-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-077971
Cc1ccc(cc1)c1ccc(o1)CNCCc1nnc2n1CCCCC2	EMOLS-id_51669357,PC-id_119111957,MCULE-5714251603	350.457	GPZNHOFPCGUAJD-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-077972
CCc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)o1	ZINC22_20600475,CoCoCo_1269588,EMOLS-id_20498823,PC-id_29087505,CoCoCo_1269589,MCULE-3155505935	350.457	XNCGFXOUKLJGSQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-077973
C/C(=Cc1ccccc1)/CN1CCCn2nc(cc2C1)C(=O)NC1CC1	PC-id_50955786,EMOLS-id_44852189,ZINC22_65384686	350.457	BCUOWIUMQPUWDJ-FOWTUZBSSA-N	00100000100000110101000000000010000000000000000000000000	31-01-077974
C(CCc1nnc2n1CCCCC2)NCc1ccc(o1)c1ccccc1	MCULE-1312106169,PC-id_119110713,EMOLS-id_51656298	350.457	OZBFTFPPOGRYLS-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-077975
O=C1NCC=Cc2c1c(CCCN1CCN(CC1)c1ccccc1)c[nH]2	PC-id_67595018,SCHEMBL8474320	350.457	SHBOWIHZKLLIFQ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-077976
O=C(c1cc2c([nH]1)cc(cc2)C(C)(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101669350	350.457	YLJYLHJIACTMPL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-077977
O(CCC(C)C)c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_4809591	350.457	FVVAPCAJMAZUAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077978
O(CCCCC)c1ccc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1	PC-id_52305705	350.457	JOUVVBSEENRILR-SDXDJHTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077979
O(CCC(C)C)c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_6213820	350.457	FVVAPCAJMAZUAX-NBVRZTHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077980
O(CCCCC)c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_75822438	350.457	JOUVVBSEENRILR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-077981
O[C@@H](c1cc2n(n1)CCCN(Cc1cccc3cc[nH]c13)C2)C1CCC1	ZINC22_219247721,PC-id_100035895	350.457	YZUWRTNTUKXAIV-OAQYLSRUSA-N	00001000100000100101000001100010000000000000000000000000	31-01-077982
O[C@H](c1cc2n(n1)CCCN(Cc1cccc3cc[nH]c13)C2)C1CCC1	ZINC22_219247790,PC-id_100035897	350.457	YZUWRTNTUKXAIV-NRFANRHFSA-N	00001000100000100101000001100010000000000000000000000000	31-01-077983
O=C(NC1CCC1)c1cn2CCN(C/C=C/c3ccccc3)CCc2n1	ZINC22_1940198219,EMOLS-id_336467651	350.457	VUAXVRISOXWJNX-VMPITWQZSA-N	00001000100000110101000000000010000000000000000000000000	31-01-077984
c12CN(CCC)CCCn1nc(CNC(=O)C(C(C)C)NC(=O)N)c2	PC-id_70773557,MCULE-4771250780,EMOLS-id_44447487	350.459	KJWNKTOKBIIGQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077985
c12CN(CCCn1nc(CNC(=O)CNC(=O)N(C)C)c2)CC(C)C	MCULE-2842925602,EMOLS-id_44447877,ZINC22_82146960,PC-id_70774641	350.459	ZBXFAUABBBEMFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077986
Cc1nc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)cs1	ZINC22_1565555225,EMOLS-id_313792308	350.459	BNKQMQIQKZIKAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077987
CC1OC(C)CN(C1)C(C(=O)NC1CCn2c(CC1)nnn2)C(C)C	EMOLS-id_102162685	350.459	QHEMBHWIQLIJMQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077988
CCC(c1nnc2n1CCCCC2)NC(=O)CNC(=O)[C@H](C(C)C)N	EMOLS-id_302983494,PC-id_120171039,MCULE-5370023651	350.459	OLIJRKSLLFZACZ-CVRLYYSRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077989
CCC(C1OCCC(C1)NC(=O)NC1CCc2n(CC1)nnn2)CC	EMOLS-id_102168295	350.459	VBVGXHZWDMDHOH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077990
CC(CCOC1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102158866	350.459	HFXHLPSBIBIJJQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077991
CCCN1CCCn2nc(CNC(=O)[C@H](NC(=O)N)C(C)C)cc2C1	ZINC22_82146237,PC-id_96579970	350.459	KJWNKTOKBIIGQT-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077992
CCCN1CCCn2nc(CNC(=O)[C@@H](NC(=O)N)C(C)C)cc2C1	ZINC22_82146240,PC-id_96579971	350.459	KJWNKTOKBIIGQT-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-077993
CC(C)NC(=O)CN1CCN(Cn2nc3n(c2=O)CCCCC3)CC1	EMOLS-id_30749533,PC-id_29929366,MCULE-7769813541,ZINC22_21994989	350.459	KZVXEPSYUKRWJZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077994
CN1CCN(C(C1)C(NC(=O)Cn1nc2n(c1=O)CCCCC2)C)C	EMOLS-id_316718401	350.459	KNPVWLGJISUERJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077995
CN=C(NCc1nnc2n1CCCCC2)NCCCOC1CCOC1	PC-id_109673269	350.459	CEHDKKMRHJKBDA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-077996
COC1CC(C1(CC)CC)N(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102165205	350.459	YMXCQUJNWZPKND-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-077997
COC1C(C)C(C1(CC)CC)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166633	350.459	USONXNUJOJGNKL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-077998
COCC1OCCN(C1)C(=NC)NCCc1nnc2n1CCCCC2	PC-id_120052405	350.459	OWDHVOBSFMTRJY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-077999
NCC(=O)[C@]1(C)CCc2nnn(c2)CCCC[C@](C(=O)CN1)(C)NC	SCHEMBL13034611,PC-id_58027942	350.459	IRXWEPGEXVUCJK-IRXDYDNUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078000
NCC(=O)[C@]1(C)CCCCn2nnc(c2)CC[C@](C(=O)CN1)(C)NC	PC-id_58027945,SCHEMBL13034610	350.459	OTXZLPQWDUSNDL-IRXDYDNUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078001
NCC(=O)[C@]1(C)CCCCn2nncc2CC[C@](C(=O)CN1)(C)NC	PC-id_59584855,SCHEMBL13034623	350.459	NBDHRZNHBVKCBB-IRXDYDNUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078002
NCC(=O)[C@@]1(C)NCC(=O)[C@@](C)(NC)CCCCn2c(CC1)cnn2	PC-id_58027931,SCHEMBL13034619	350.459	BLIFKDWHIPFKKL-IRXDYDNUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078003
O=C1C(NC)(CCc2n(nnc2)CCCCC(NC1)(C)C(=O)CN)C	PC-id_72332578	350.459	NBDHRZNHBVKCBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078004
O=C1C(NC)(CCc2nnn(CCCCC(NC1)(C)C(=O)CN)c2)C	PC-id_76667566	350.459	OTXZLPQWDUSNDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078005
O=C1C(NC)(CCCCn2nncc2CCC(NC1)(C)C(=O)CN)C	PC-id_76667553	350.459	BLIFKDWHIPFKKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078006
O=C1C(NC)(CCCCn2nnc(CCC(NC1)(C)C(=O)CN)c2)C	PC-id_76667563	350.459	IRXWEPGEXVUCJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078007
O=C(NCC(N1CCOCC1)C)NCCc1nnc2n1CCCCC2	EMOLS-id_97766555	350.459	SFIRITHWVDEVNF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078008
s1c2CCCCCc2cc1C(=O)NNC(=O)c1snnc1CC	PC-id_31794956	350.459	APIUYSOZCHNYAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078009
Cc1ccccc1n1cc(CN(C)Cc2cc3n(n2)CCCNC3)cn1	ZINC22_72168085,EMOLS-id_43170616,PC-id_56913771,MCULE-7377053773	350.461	QZLXCGJSXFKZPU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078010
Cc1ccc(C)c(n2ncc(NCc3nnc4n3CCCCC4)c2C)c1	EMOLS-id_316772821,ZINC22_564734385,MCULE-5043588010	350.461	HFEXITMPYVJHRB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078011
CCc1c(NCc2nnc3n2CCCCC3)cnn1c1ccccc1C	ZINC22_577584010,MCULE-3678736434,EMOLS-id_316819202	350.461	SLLVGHYUDLEAPA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078012
CN(Cc1cc2CNCCCn2n1)Cc1nccn1Cc1ccccc1	MCULE-5988968579,EMOLS-id_43059824,ZINC22_72122610,PC-id_56882716	350.461	KKDNXNBEJANCRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078013
CCC(CC)c1cc2-c(cc(ccc2OC)C(C)C)c1S(=O)(=O)O	PC-id_88671705	350.472	SJORCDNYNYCHSZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-078014
CCCCCc1cc(c2-c1c(OC)ccc(c2)C(C)C)S(=O)(=O)O	SCHEMBL10803431,PC-id_13559106	350.472	JCOPCAWROCNAGE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-078015
CC(c1ccc(c2-c(c1)c(C)cc2/C=C(/c1cccs1)C(=O)O)C)C	PC-id_101479149	350.474	KJTXHCLZMVCOFL-UNOMPAQXSA-N	00000010100100000110000000000010000000000000000000000000	31-01-078016
c1(NC(=O)CN2CCCC2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_22197567,ZINC22_14193487,SPECS-id_AO-476/43414251,CoCoCo_6964437,MCULE-1967610464,EMOLS-id_4270728	350.476	MFOMOSZQRDUBFU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078017
CC(C(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2)O	EMOLS-id_110570211	350.476	YMQKAJJBCYRGFG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078018
CCN(C1CC(C1)NC(=O)c1cc2c(s1)CCCCC2)CC(=O)O	PC-id_120438922	350.476	BBTBRODKIYNPSY-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-078019
CCOC(=O)N1CCC(CC1)NC(=O)c1csc2c1CCCCC2	CoCoCo_2171503,PC-id_49878531	350.476	KPAHDDHWDHAPMM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-078020
CC(=O)NCC1OCCN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_111031075	350.476	JYVFBWQQMOWROZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078021
NC(=O)C1(CNC(=O)c2cc3c(s2)CCCCCC3)CCOCC1	ZINC22_47909388,PC-id_71896849,MCULE-5084059659,EMOLS-id_44528186	350.476	TXCVSRNABIDKRW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-078022
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s1c2CCCCCCc2cc1C(=O)NNC(=O)C(OCC1CC1)C	PC-id_48422668	350.476	KUKHNHFRQITCBO-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-078029
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCCC1)C(=O)OC	PC-id_22197541	350.476	PBJDFDXRBRIZGL-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078030
c1ccc(cc1)OCc1sc2c(n1)CCCN(C2)Cc1ccccc1	SCHEMBL158425,PC-id_66609016	350.477	DEQURVRVQUFYQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078031
c1(NC(=O)C2CC2c2ccccc2)sc2c(CCCCCC2)c1C#N	TIMTEC400471,EMOLS-id_4029020,MCULE-4885925704,PC-id_4196237	350.477	QGMQJFGXRAPXRY-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-078032
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s1c2CCCCCc2cc1C(=O)N(Cc1ccc(cc1)C#N)CC=C	PC-id_56477171	350.477	QALPUBNCRNAADH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078037
s1c2CCCCCCc2c(c1NC(=O)C=Cc1ccc(cc1)C)C#N	PC-id_3337575	350.477	OJTYRGOSNLBBAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078038
s1c2CCCCCCc2c(c1NC(=O)/C=C/c1ccc(cc1)C)C#N	PC-id_5797085	350.477	OJTYRGOSNLBBAN-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078039
c12CN(CCCn1nc(CN1CCSCC1)c2)C(=O)C1CCOC1	MCULE-5042875970,EMOLS-id_43119533,PC-id_56897287	350.479	LHVHPWSXUWWXLC-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-078040
c12CN(CCCn1nc(CNC(=O)CCSC)c2)C(=O)C1CCC1	PC-id_70787772,EMOLS-id_44452485,MCULE-9303613851,ZINC22_82170653	350.479	KKSJIKXRXHVUIM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-078041
c1(NC(=O)CCC(=O)N2CCN(CC2)C)sc2c(CCCCC2)n1	EMOLS-id_334737828,MCULE-9456952536	350.479	TWYDLYVIYQQNBT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078042
c1(sc2c(CCCCCC2)n1)NC(=O)C1CCCN(CC(=O)N)C1	EMOLS-id_316220760,MCULE-9133275410	350.479	VFXWKCBIUODOEI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078043
CCCN1CCCN(CC1=O)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_100019222	350.479	GAMGIWLHSGUBRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078044
CC(CNC(=O)N1CCc2c(CC1)nc(s2)C(=O)N1CCCC1)C	PC-id_97524734	350.479	FYGBNCXMFBEQFI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078045
CC(C)NC(=O)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1	PC-id_97442530,ZINC22_96147006,EMOLS-id_44303980	350.479	HQGFGJPGEVQLFH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078046
CCC(=O)N1CCC(C1)NC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890219	350.479	JBAUYFHCICIDPT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078047
CCC(=O)N1CCCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_96558882	350.479	SKVNHWMAKWSTLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078048
CCN1CCCN(CC1=O)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101101067	350.479	NURGSHNBESBVTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078049
CC(=O)N(C1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_110302048	350.479	RERLLTDLLLZIKJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078050
CC(=O)NCC1CCCN(C1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110348467	350.479	HPQDJGGWMMHLFC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078051
CN(C1CCN(CC1)C(=O)C(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_111810781	350.479	NXCXRYXFMBZVOK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078052
CNC(=O)C1CCCC1NC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101074597	350.479	RDDQPQSLQJGIMU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078053
CNC(=O)C1CCC(CC1)NC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110349970	350.479	IEOSGQDNWUKVIC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078054
CNC(=O)C1(C)CCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101096219	350.479	KOBWUXDTUAXFNE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078055
CNC(=O)C1CCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890252	350.479	ZJFBSKSRVSWWME-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078056
CN(C(=O)C1CCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_101851204	350.479	JFEDVARTRHYARD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078057
CNC(=O)CC1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111267514	350.479	BVOGOJJYOAMHEL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078058
NC(=O)CN1CCC[C@@H](C(=O)Nc2nc3c(s2)CCCCCC3)C1	ZINC22_1506422860	350.479	VFXWKCBIUODOEI-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078059
NC(=O)CN1CCC[C@H](C(=O)Nc2nc3c(s2)CCCCCC3)C1	ZINC22_1506422865	350.479	VFXWKCBIUODOEI-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078060
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O=C(NC1CCCCC1C(=O)N)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101106471	350.479	MJVBVWXJOXPOEK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078066
O=C(NC1CCN(C1=O)C(C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101106525	350.479	SBHMFQNKCFEFPB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078067
O=C(Nc1nc2c(s1)CCCCC2)NCC1(CC1)N1CCOCC1	EMOLS-id_100914546	350.479	PRJSCSKAJSCBOU-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-078068
O=C(Nc1nc2c(s1)CCCCC2)NCC1CCN(CC1)C(=O)C	EMOLS-id_110688521	350.479	XNIGNCXIZJOJHA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078069
O=C(Nc1nc2c(s1)CCCCC2)NCCN1CC2CCC(C1)O2	EMOLS-id_101386609	350.479	IIKQXFVVOFWMRK-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-078070
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O=C(Nc1sc2c(n1)CCCCCC2)NCC1(CCCC1)C(=O)N	EMOLS-id_101098436	350.479	HZISUEHCVSQAMK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078072
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C1CCN(CC1)Cc1cccc(n1)CSc1nc2-c(n1)ccccc2	PC-id_139631113	350.48	FBWJRBOPPJRJEK-UHFFFAOYSA-N	00000010100010101111000000000010000000000000000000000000	31-01-078077
c12nnnn1CCCCC2C(=O)N1CCC(CC1)N1CCSCC1	PC-id_74248379,MCULE-5014523488,EMOLS-id_49676188	350.482	ZSKUOQQXCZUISM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-078078
c12nnnn1CCCCC2C(=O)N1CCN(CC1)C1CCSCC1	EMOLS-id_49672812,MCULE-6304943781,PC-id_74246734	350.482	XEBRPCQJSHAKEA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-078079
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Brc1ccc(NC(=O)c2sc3CCCCCc3c2)nc1	PC-id_60655246	351.261	RTLXCUUGSLRMPH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-078279
CN=C(NCCc1nnc2n1CCCCC2)NCCCOCC(C)C	PC-id_111401131	350.502	IHZMCHLUFXTAST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078113
CN=C(NCCc1nnc2n1CCCCC2)NCCOCCC(C)C	PC-id_111971562	350.502	WFUYHDRZZCQWJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078114
CN=C(NCC(C(C)(C)C)OC)NCCc1nnc2n1CCCCC2	PC-id_111710049	350.502	QJNJBKQIGUVYAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078115
CN(C(=O)Nc1sc2c(n1)CCCCCC2)Cc1scnc1C	EMOLS-id_101098580	350.502	HUFYNCRRXVYFGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078116
CN(C(=O)Nc1sc2c(n1)CCCCCC2)CCc1nccs1	EMOLS-id_101069050	350.502	NVUSVUUUXRDAGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078117
S(c1n2CCCCCc2nn1)CC(=O)N(Cc1sccc1C)C	PC-id_8379386	350.502	UUDSBVAQHSMBRW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-078118
C1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC1COC1	PC-id_145452211	350.519	NCSLJXKGGUKBAC-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-078119
c1(C(=O)N(CCC)CCC)c2CCCCCc2sc1NC(=O)CC	BAS-00486713,EMOLS-id_1230905,ChEMBL-DNDi_CHEMBL1890153,MCULE-9974104489,CoCoCo_81720,PC-id_1350739,ZINC22_1188678	350.519	PVIRPRRLTXDTGE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078120
CC(C)(C)CN(CC(C)(C)C)C(=O)c1cc2c(s1)CCCNC2=O	ZINC22_1875343164	350.519	SCVJXONTDKATCY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078121
CC(C)CN1CCO[C@H](CNC(=O)c2cc3c(s2)CCCCC3)C1	CoCoCo_4276993,PC-id_39484733,CoCoCo_4276995,ZINC22_32268686	350.519	ABVVEXIVFVENAK-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078122
CC(C)CN1CCO[C@@H](CNC(=O)c2cc3c(s2)CCCCC3)C1	CoCoCo_4276994,PC-id_39484732,CoCoCo_4276996,ZINC22_32268685	350.519	ABVVEXIVFVENAK-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078123
CC(C)(CNC(=O)c1cc2c(s1)CCCCCC2)N1CCOCC1	EMOLS-id_16785576,MCULE-9490246702,CoCoCo_3223767,ZINC22_12763717,PC-id_17536447	350.519	JIIKDDZVXDOCEK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078124
CC[C@H](CC(=O)Nc1sc2c(c1C(=O)N)CCCCC2)C(C)(C)C	ZINC22_1124607655	350.519	AVTVJRZHICEVGI-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078125
CC[C@@H](CC(=O)Nc1sc2c(c1C(=O)N)CCCCC2)C(C)(C)C	ZINC22_1124607656	350.519	AVTVJRZHICEVGI-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078126
CC(CN1CCOC(C1)CNC(=O)c1cc2c(s1)CCCCC2)C	MCULE-5037446771,EMOLS-id_27370490,PC-id_42919476	350.519	ABVVEXIVFVENAK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078127
COCC1(CCNCC1)CNC(=O)c1sc2c(c1)CCCCCC2	PC-id_120890583,EMOLS-id_302853820,MCULE-5820108460	350.519	YJMGPXRDLUMSHM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-078128
NCCCOC1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_301831747,MCULE-6813530939,PC-id_119662443	350.519	FYWQSWLDGWUWRC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-078129
OCC1(CCN(CC1)C(=O)c1cc2c(s1)CCCCC2)NC(C)C	EMOLS-id_316598849	350.519	OIFDZXROWQHAAJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-078130
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCC)C(=O)N	PC-id_4157103	350.519	IKRRMNRAAJWOBK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078131
s1c2CCCCCCc2cc1C(=O)N(CCC)CC(=O)NCCC	PC-id_52690142	350.519	UHEMNKWUPHVRHO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078132
s1c2CCCCCCc2cc1C(=O)NCCCCN1CCOCC1	PC-id_52288279	350.519	YRSYWFMHBURRHD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078133
s1c2CCCCCCc2cc1C(=O)N(CC(=O)NC(C)(C)C)CC	PC-id_60408682	350.519	GTFPZPSDEMGXIV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078134
s1c2c(CCCCCC2)c(c1NC(=O)CCCCCCC)C(=O)N	PC-id_4462784	350.519	PRGBLDADMKMVAI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078135
s1c2c(CCCCCC2)c(c1NC(=O)C(CCCC)CC)C(=O)N	PC-id_5008250	350.519	FVYZIMPYEGTDDK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078136
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CCC(C)SC	MCULE-2694049324,EMOLS-id_44429497,PC-id_70721900	350.522	AWTXTHHQZYQXQA-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-078137
c12CN(CCSCC)CCCn1nc(CCC(=O)N1CCCC1)c2	EMOLS-id_44426989,PC-id_70714709,ZINC22_82096170,MCULE-4269313507	350.522	PCBIJTMOXFNWAP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078138
CC1CCN(CC1)CCCNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825145	350.522	NQKACMRGNFCXDU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078139
CCCN(C(=O)Nc1sc2c(n1)CCCCCC2)C1CCNCC1	EMOLS-id_101825145	350.522	LLBBAPPFLSGSNQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078140
CC(C(=O)NC1CCCC(C1C)C)Sc1nnc2n1CCCCC2	EMOLS-id_3694981,MCULE-9978117203,PC-id_16350194	350.522	ZYARMDIGNDLGRG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078141
C[C@@H](C(=O)N[C@H]1CCC[C@@H]([C@H]1C)C)Sc1nnc2n1CCCCC2	CoCoCo_3082059	350.522	ZYARMDIGNDLGRG-XGUBFFRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078142
C[C@@H](C(=O)N[C@H]1CCC[C@@H]([C@@H]1C)C)Sc1nnc2n1CCCCC2	CoCoCo_3082064	350.522	ZYARMDIGNDLGRG-AJNGGQMLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078143
C[C@@H](C(=O)N[C@H]1CCC[C@H]([C@@H]1C)C)Sc1nnc2n1CCCCC2	CoCoCo_3082065	350.522	ZYARMDIGNDLGRG-QPSCCSFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078144
C[C@@H](C(=O)N[C@H]1CCC[C@H]([C@H]1C)C)Sc1nnc2n1CCCCC2	CoCoCo_3082066	350.522	ZYARMDIGNDLGRG-KBXIAJHMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078145
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C[C@H](Sc1nnc2n1CCCCC2)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C	CoCoCo_3082063,ZINC22_242389530	350.522	ZYARMDIGNDLGRG-APIJFGDWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078147
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C	PC-id_100838822,CoCoCo_3082062,ZINC22_229366990	350.522	ZYARMDIGNDLGRG-CBBWQLFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078148
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C	ZINC22_102538334,PC-id_98323876,CoCoCo_3082060	350.522	ZYARMDIGNDLGRG-ZQDZILKHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078149
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CCN(CC1CCN(C1)C(=O)Nc1nc2c(s1)CCCCC2)CC	PC-id_102558606	350.522	UZFMRMINCJVKBS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078151
CCNCC1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101825265	350.522	UDIXRHVJCSHKLA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078152
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CS[C@@H](C)CCN1CCCn2nc(CNC(=O)C3CCC3)cc2C1	ZINC22_82097982,PC-id_96573451	350.522	AWTXTHHQZYQXQA-AWEZNQCLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-078155
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CCNC(=NCC1CCCS1)NCCc1nnc2n1CCCCC2	PC-id_109667311	350.525	YCTFCZIYHYYJSA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078161
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CN=C(NCC1(C)CCCS1)NCCc1nnc2n1CCCCC2	PC-id_109738877	350.525	KHZSNSDOMFZPQR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078168
CN=C(NCC1CCCS1)NCCCc1nnc2n1CCCCC2	PC-id_109665419	350.525	OIVJNGYCKJQROL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078169
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c1(C(=O)NCCN(CC(C)C)CC(C)C)csc2CCCCCc12	ChEMBL-DNDi_CHEMBLC760-1064,CoCoCo_2171606,MCULE-7931694954,EMOLS-id_16062877,PC-id_20881884	350.562	YFWGJMNNOOIBCN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078171
c1(C(=O)NCCN(CCCC)CCCC)csc2CCCCCc12	ChEMBL-DNDi_CHEMBLC760-1067,PC-id_20881885,CoCoCo_2171607,MCULE-4542223655,EMOLS-id_16062879	350.562	VDRNHTAXXHXKQM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078172
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Brc1ccnc(c1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_102820596	351.261	ZQFWQCQGQBFICQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-078280
O=C(Nc1cc2OCOc2cc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102001515	350.76	IWGNLERVNQJGPF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-078174
N#Cc1c(F)ccc(c1F)OCc1nc2c(s1)C=CCC(=C2)Cl	PC-id_143781540	350.77	ODTQJFJLQSEBGX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-078175
Clc1cc(ccc1C(=O)N1CCCC(=O)c2c1ccs2)[N+](=O)[O-]	SCHEMBL5232606,PC-id_19699079	350.777	FXIKQKQHMVCPAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078176
Clc1sc2c(c1)N(CCCC2=O)C(=O)c1ccc(cc1)[N+](=O)[O-]	SCHEMBL5237725,PC-id_19699098	350.777	BDIJYHOPPGYHFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078177
Clc1ccc(/C=C/C(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)cc1	PC-id_10712876	350.795	CCWAQIXWXHTWRW-FMIVXFBMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-078178
Clc1ccc(C=CC(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)cc1	PC-id_85241798	350.795	CCWAQIXWXHTWRW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-078179
Clc1c(/C=C/C(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)cccc1	PC-id_10545843	350.795	PLNXLZRYPOTASA-VAWYXSNFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-078180
Clc1c(C=CC(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)cccc1	PC-id_85179846	350.795	PLNXLZRYPOTASA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-078181
Clc1ccc(C(=O)/C=C/c2c3-c(c(c2)C(=O)OC)ccccc3)cc1	PC-id_11792203	350.795	HSWXQCZPUHIMQG-FMIVXFBMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-078182
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c1(C(=O)Nc2c(OC)cc(c(OC)c2)Cl)c2CCCCCc2on1	EMOLS-id_15972056,PC-id_15999043,MCULE-3043251245,ZINC22_2465833,TIMTEC190529	350.797	HGLUPSCGUCPBOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078185
c12CCN(CCc1[nH][nH]c2=O)C(=O)Nc1cc(C)c(cc1OC)Cl	MCULE-2366503476,EMOLS-id_68929125,PC-id_118789519,ZINC22_299794102	350.8	ISGLNHQPUKVQAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078186
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COc1ccc(Cl)cc1NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_41793779,MCULE-9351490354,ZINC22_11049393,CoCoCo_4447320,EMOLS-id_24102412	350.8	XBPUMWKEPUSZLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078189
COc1ccc(NC(=O)Cn2nc3CCCCCn3c2=O)cc1Cl	MCULE-4306043838,PC-id_17538316,EMOLS-id_16791544,SPECS-id_AT-687/NB01935,ZINC22_12775710,CoCoCo_4406375	350.8	SIRZEMULQLFCRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078190
COc1cc(OC)c(cc1NC(=O)C1CCn2c(CC1)nnc2)Cl	EMOLS-id_319385797	350.8	KBYJSXPHTMNXQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078191
c1(C(=O)N2CCCn3c(cc(n3)C(O)C3CC3)C2)n[nH]c(N)c1Cl	EMOLS-id_55684293,MCULE-1583174010,PC-id_91788473	350.803	HZTXGUULVSAXBU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-078192
CC1=CC(=Nc2c(n3CCN(CCn3c2=O)C)N)C(=N)C(C1=O)Cl	PC-id_136648504	350.803	CCFNBIVECAZUAD-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-078193
ClC1=C(N)/C(=N/c2c(n3n(CCN(CC3)C)c2=O)N)/C=C(C1=O)C	PC-id_57578001	350.803	GRUYGRHSFVPSMM-DJKKODMXSA-N	00000000100011000101000000000010000000000000000000000000	31-01-078194
CN1CCn2n(CC1)c(c(c2=O)/N=C
/C=C(C)C(=O)C(=C1N)Cl)N	SCHEMBL3859228	350.803	GRUYGRHSFVPSMM-OCKHKDLRSA-N	00000000100011000101000000000010000000000000000000000000	31-01-078195
CN1CCn2n(CC1)c(c(c2=O)N=C1C=C(C)C(=O)C(=C1N)Cl)N	SCHEMBL3859230	350.803	GRUYGRHSFVPSMM-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-078196
Nc1[nH]nc(C(=O)N2CCCn3nc([C@H](O)C4CC4)cc3C2)c1Cl	PC-id_100172359,ZINC22_222971430	350.803	HZTXGUULVSAXBU-CYBMUJFWSA-N	00100000100000000101000000000010000000000000000000000000	31-01-078197
Nc1[nH]nc(C(=O)N2CCCn3nc([C@@H](O)C4CC4)cc3C2)c1Cl	ZINC22_222971377,PC-id_100172348	350.803	HZTXGUULVSAXBU-ZDUSSCGKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-078198
Clc1cnn(c1)C1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161236	350.807	NAISQEZSEZLTHK-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-078199
COCCC1CN(Cc2cccn2C1)C(=O)c1ccc(F)c(Cl)c1	EMOLS-id_313836583	350.815	SZWPELRHCUVCJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078200
COCC[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)Cc2cccn2C1	ZINC22_585095486	350.815	SZWPELRHCUVCJZ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078201
COCC[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)Cc2cccn2C1	ZINC22_585095490	350.815	SZWPELRHCUVCJZ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078202
Fc1ccc(c(c1)Cl)[C@@H](NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101712572	350.818	PYQREXIPKNQAQX-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-078203
O=C(N1CCCc2c(C1)cnn2C)NC(c1c(F)cccc1Cl)C	EMOLS-id_101719170	350.818	GVHYLTNFOGALQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078204
Clc1c2OCOc2cc(C(=O)Nc2sc3CCCCCc3n2)c1	PC-id_30255052	350.82	KVUYXINSTYWAIC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-078205
O=C(Nc1sc2c(c1C(=O)O)CCCNC2)c1ccc(Cl)cc1	MCULE-9632972169,EMOLS-id_316957034,ZINC22_888095786	350.82	GKLMKHNWFNLMLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078206
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)NCc1ccc(cc1)Cl	PC-id_90625552	350.823	ZWXISRJBVUJTKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078207
N#Cc1ccc(cc1Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948373	350.823	OQFNVAMWTIFVOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078208
N#Cc1ccc(c(c1)Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950803	350.823	VNSLAXKLQAMMCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078209
N#Cc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101950836	350.823	NYMILVDDVDCXFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078210
NC(=O)c1nc2CCN(CCc2s1)C(=O)Nc1cccc(Cl)c1	EMOLS-id_44303954,PC-id_97442517,ZINC22_96146993	350.823	MZQODCSZYKOUSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078211
Clc1c(C=NNC(=O)c2sc3CCCCCc3c2)c(F)ccc1	PC-id_78620816	350.838	UMUULEVHYJVVLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078212
CN(CCOc1ccc(Cl)cc1)Cn1nc2n(c1=O)CCCCC2	ZINC22_29028878,CoCoCo_4479108,CoCoCo_4479107,EMOLS-id_25651156,PC-id_36203986,MCULE-9705585770	350.843	RDUPSUZDMGSCAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078213
c1(NC(=O)COc2ccc(c(C)c2)Cl)sc2c(CCCCC2)n1	EMOLS-id_334605943,MCULE-2459295445	350.863	UVBZEGFLRNUDMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078214
c1(sc2c(CCCCC2)n1)NC(=O)C(C)Oc1ccc(cc1)Cl	MCULE-6092996869,EMOLS-id_334603384	350.863	YFWMINLUEWDTSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078215
CCN1CCc2c(C(C1)Oc1ccc(cc1Cl)C(=O)N)ccs2	PC-id_68411817,SCHEMBL2840993	350.863	IGUGFIITYKMFPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078216
CCN1CCc2c(C(C1)Oc1ccc(cc1Cl)C(=O)N)scc2	PC-id_68413430,SCHEMBL2844559	350.863	WRZXAWPDFGXHCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078217
Clc1c(OC2CCN(Cc3c2sc(c3)C)C)ccc(c1)C(=O)N	PC-id_68410945,SCHEMBL2839057	350.863	SZQXIVGQCYKFNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078218
Clc1c(OC2CCN(Cc3sc(cc23)C)C)ccc(c1)C(=O)N	PC-id_68409686,SCHEMBL2835987	350.863	OUUMLXSANCWHSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078219
Clc1c(OC(C(=O)Nc2sc3CCCCCc3n2)C)cccc1	PC-id_46581657	350.863	FQVRDVIGZFTBDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078220
C=CCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc(s1)Cl	EMOLS-id_319483320	350.866	UZSSLSASPCKQON-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-078221
Clc1c(ccc(NC(=O)CSc2n3CCCCCc3nn2)c1)C	PC-id_7877388	350.866	YBPGUAJPRFWCFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078222
Clc1ccc(CNC(=O)CSc2n3CCCCCc3nn2)cc1	PC-id_7877371	350.866	SSHSOWFJSVSKTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078223
Clc1ccc(NC(=O)[C@@H](Sc2n3CCCCCc3nn2)C)cc1	PC-id_7877205	350.866	QSYZWCMEGYUBFX-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-078224
Clc1ccc(NC(=O)[C@H](Sc2n3CCCCCc3nn2)C)cc1	PC-id_7877206	350.866	QSYZWCMEGYUBFX-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078225
Clc1cc(c(NC(=O)CSc2n3CCCCCc3nn2)cc1)C	PC-id_7876679	350.866	JXXGYKYITKKEHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078226
Clc1ccc(NC(=O)C(Sc2n3CCCCCc3nn2)C)cc1	PC-id_42983827	350.866	QSYZWCMEGYUBFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078227
Clc1cc(CNC(=O)CSc2n3CCCCCc3nn2)ccc1	PC-id_7876684	350.866	HRSURXZWLOEVEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078228
Clc1c(c(NC(=O)CSc2n3CCCCCc3nn2)ccc1)C	PC-id_7877363	350.866	WCQCFQGWQIPIQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078229
Clc1cc(NC(=O)CSc2n3CCCCCc3nn2)c(cc1)C	PC-id_7877380	350.866	VTQHWBWTRLIMSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078230
Clc1c(CNC(=O)CSc2n3CCCCCc3nn2)cccc1	PC-id_7877398	350.866	KKYLCKPOIMERLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078231
Clc1c(C(=O)NCc2n3CCCCCc3nn2)cc(SC)cc1	PC-id_46524818	350.866	QJPMBMJMYJDTHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078232
Clc1c(NC(=O)CSc2n3CCCCCc3nn2)ccc(c1)C	PC-id_7877427	350.866	DQRMLEIYLZDRAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078233
CSc1cc(ccc1Cl)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101864297	350.866	QFZZXKAMQXSFKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078234
CSc1ccc(cc1Cl)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101967630	350.866	CZUOUXLYRNQXGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078235
CSc1ccc(cc1NC(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101963403	350.866	SKIMMPJIVMAMAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078236
NCc1c(NC(=O)Nc2ccc(cc2)Cl)sc2c1CCCNC2	SCHEMBL18902255	350.866	IGGQSCGQYZTTDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078237
CCC1=CS(=O)(=O)c2c(ccs2)C(=C1)Cc1ccc(cc1)Cl	PC-id_135064757	350.883	BOEBODFRBAEISS-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-078238
c1(NC(=O)Cc2ccc(Cl)s2)sc2c(CCCCC2)c1C#N	ZINC22_10060962,EMOLS-id_30136751,MCULE-7483642643,PC-id_41340471	350.886	QXTPLZNUMMOFGU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-078239
ClSSC1(C)C=Cc2c(C=C1)nc([nH]2)C(c1ccccc1)O	PC-id_139310038,SCHEMBL21155009	350.886	GVXGYEXDJXHFAN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-078240
Clc1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)s1	MCULE-4177352013,ZINC22_9637621,EMOLS-id_3631926,PC-id_16342505,CoCoCo_3697592	350.889	RFOIHMKCRHNSHD-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-078241
Brc1c2c(n(c1Br)C)C(=O)NCCC2=NO	PC-id_71505909	350.995	RRWPFOWCJXJOGJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078242
CNCC1C2=C(CCCCO1)C=C(S2)CI	PC-id_163605477	351.015	HBJVRXAOOHDUPV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078243
CC1(COC2=CSC=C2OC1)CNCC(C3=CC(=C(C=C3)O)O)O	PC-id_165154609	351.114	NTSPVMIHJKNJLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078244
CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)SC3=CC=C(C=C3)[N+](=O)[O-]	PC-id_165177881	351.129	IFJVAHCGQWJPMY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-078245
CC(C)n1c2c(C=CC(CC2)N=C(N2CCS(=O)(=O)CC2)[O-])cn1	PC-id_163858728	351.15	PAQSINMNMXMPAI-UHFFFAOYSA-M	00000000100010000111000000000010000000000000000000000000	31-01-078246
CN1C(=O)C(I)CCn2c1cc(n2)C(CF)C	SCHEMBL19659187	351.159	IPGHNXXZUWRVMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078247
P(PP)(P)n1nnc2NC(=O)CN(CCCC)C(=O)c12	PC-id_20872179	351.159	KQPYBDWZNABVKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078248
CN1C2=C(C(C(CCCC2)CC3=CC=C(C=C3)C(O)OC)(F)F)N=N1	PC-id_153397868	351.176	AAUBIPNMBWEQCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078249
CCC(CC)(CC(=O)NC1=CC2=C(S1)CCCCCC2)C(=O)OC	PC-id_164900197	351.187	GEIVWVSHWAKZSX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078250
Brc1cc2-c(c(cc2C(=O)OCC)C(=O)OCC)ccc1	PC-id_86217657	351.192	GGFFIVAGCSUPHU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-078251
Brc1ccc2-c(c(cc2C(=O)OCC)C(=O)OCC)cc1	PC-id_312938,LI_171346,NSC225266,CoCoCo_5544152	351.192	DZRYUGSINUWEOP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-078252
BrC1CCOc2nn(Cc3ccc(OC)cc3)cc2C1=O	PC-id_66667363,SCHEMBL365862	351.195	ZUPLHQQRLPXVTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078253
c1(C(=O)Nc2c(O)ccc(Br)c2)c2CCCCCc2on1	ZINC22_2465828,ChEMBL-DNDi_CHEMBLC226-3477,EMOLS-id_15972032,TIMTEC573403,PC-id_15995198,MCULE-4738350948	351.195	YLHLQVCLQRUSLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078254
CC(C)(C)OC(=O)NC1=CC=CN=CC2=CC=CN2CC=CC=CC=C1	PC-id_149951440	351.195	CRHQDDRFUKSOCH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-078255
O=C(c1cc(Br)c(nc1C)O)N1CCCc2c(C1)cco2	EMOLS-id_99612401	351.195	XHGAOXLJIAFVIH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-078256
Brc1c(NC(=O)c2sc3CCCCCc3c2)ccnc1	PC-id_81758370	351.261	ZUFMYQJMVAMNFK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-078281
Oc1cc(cc(c1)Br)NC(=O)C1CCn2c(CC1)nnc2	MCULE-5999601964,EMOLS-id_320091916	351.199	MABIPMNCJXHWGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078257
O=C(C1CCn2c(CC1)nnn2)NCc1ccncc1Br	EMOLS-id_316700423	351.202	SIMMVMZYWIMXRE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078258
O=C(Nc1ccccc1Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102023833	351.202	DXVZOJVTFMBXIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078259
O=C(Nc1ccc(cc1)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102023842	351.202	RFJYNCBVKWZHHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078260
O=C(Nc1cccc(c1)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102023851	351.202	ZOFJBURSQHDQSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078261
CCOC(=O)N1CCc2c(CC1)cc(s2)I	SCHEMBL2993002,PC-id_68469363	351.204	MQFKMAHRQBPWLT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078262
CCN1C=NC2=C1N=CN=C(C2)NC3=CC=CC(=C3)CCC4CCCO4	PC-id_165126930	351.206	VOALDYORDOVYQK-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-078263
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C	PC-id_155171327	351.216	ATAUIKSEFFHWQQ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078264
COC(=O)c1n(C)c(c2c1CC[C@@H](NS2(=O)=O)C)Br	PC-id_140762783	351.217	PKZQGFNXVBIATN-LURJTMIESA-N	00000000100000000101000000000010000000000000000000000000	31-01-078265
CC1(CCN(C1)C(=O)C2=NNC3=C2CCCCC3)CCC4=CC=CC=C4	EMOLS-id_317742024,PC-id_154785819,MCULE-1209887078	351.231	NKSWPMCUCOJNAS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-078266
CNCC1OCCCCc2c1cc(s2)CI	PC-id_144197608	351.247	AXDURZWGNMXCBD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078267
Brc1cc(Cn2cc3C(NC)CCCCc3c2)ccc1F	PC-id_83209247	351.257	HETCRVKLDNQIOK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078268
Brc1cc(Cn2cc3C(NC)CCCCc3c2)cc(F)c1	PC-id_83210766	351.257	AMCSBTUCQAJEMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078269
Brc1cc(Cn2cc3C(NC)CCCCc3c2)c(F)cc1	PC-id_83211318	351.257	DYBCIVCEAHEOAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078270
Brc1cc(F)c(Cn2cc3C(NC)CCCCc3c2)cc1	PC-id_83211525	351.257	PORSIWSOGUKBME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078271
Brc1c(Cn2cc3C(NC)CCCCc3c2)cccc1F	PC-id_83211533	351.257	ITBFFEOCRPGMHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078272
Brc1c(Cn2cc3C(NC)CCCCc3c2)ccc(F)c1	PC-id_83211537	351.257	PAJIXEKUVPVFOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078273
Brc1ccc(OC(=O)c2sc3CCCCCc3c2)cc1	PC-id_7900848	351.258	OEAGYJIAXKGZPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078274
Brc1ccccc1C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_17166833,MCULE-2034221126,PC-id_24234235,ZINC22_12770219,CoCoCo_4546018	351.261	WIADGELQYIZRHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078275
Brc1cccc(c1)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_18855528,MCULE-6041764794,PC-id_25540950,ZINC22_12828291,CoCoCo_4546043	351.261	COMRTYZGHOXRQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078276
Brc1ccc(cc1)C(=O)Nc1nc2CCCCCc2s1	MCULE-7113582312,EMOLS-id_257868242,PC-id_17539884	351.261	GCAMCDDIMPMZGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078277
Brc1ccc(cn1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_108195333	351.261	UJZLZPISAKKMFZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-078278
Brc1c(NC(=O)c2sc3CCCCCc3c2)nccc1	PC-id_65550939	351.261	JMNXFTNPAFKCGG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-078282
Brc1nc(NC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_43520563	351.261	INALVLDUHUXRIG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-078283
O=C(c1cc2c(s1)CCCCC2)Nc1cccnc1Br	PC-id_103819332	351.261	SLXAOHUUSIWSBP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-078284
Clc1cc(ccc1Cl)Cn1c(nc2c1C(=O)CCCC2)C(C)C	PC-id_58460157,SCHEMBL2476110	351.27	ZRLGMPMJXLEFTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078285
Brc1c(n(nc1C)CC)Cn1cc2C(N)CCCCc2c1	PC-id_83209457	351.285	TVDOQOSADRMATM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078286
Brc1c(n(nc1CC)C)Cn1cc2C(N)CCCCc2c1	PC-id_83211741	351.285	MEICHILHPLAPIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078287
Brc1c(n(nc1C)C)Cn1cc2C(NC)CCCCc2c1	PC-id_83210603	351.285	HMGHFTXYQVPDJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078288
Brc1ccc(CC(O)c2sc3c(CCCCC3)c2)cc1	PC-id_63518430	351.301	CJVKKSZMTUUKNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078289
Brc1cc(CC(O)c2sc3c(CCCCC3)c2)ccc1	PC-id_63519486	351.301	RRLDHLXDAYHBOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078290
BrC(c1sc2CCCCCc2c1)c1ccc(OC)cc1	PC-id_63437209	351.301	MWLLZAGZJZMISX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078291
OC(c1cc2c(s1)CCCCC2)Cc1ccccc1Br	PC-id_114977208	351.301	OMCIQFSJCQVDBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078292
Brc1ccc(nc1)CC(c1cc2c(s1)CCCCC2)N	PC-id_105036483	351.304	RXWGXAGBBUHXDT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-078293
Brc1cncc(c1)CC(c1cc2c(s1)CCCCC2)N	PC-id_105036992	351.304	MUQOZKDDIGRXPW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-078294
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1cc(cc(c1)F)F	PC-id_86346059,SCHEMBL16099812	351.305	SXURMOXCCNXNQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078295
O=C(N1CCCn2c(C1)cc(c2)C(=O)N)c1ccc(cc1)C(F)(F)F	PC-id_144264849	351.323	TVAURYVZHMQJBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078296
CCCCOc1cc(ccc2-c1ccc2CC(=O)N)CP(=O)(O)O	PC-id_17776044,SCHEMBL8528546	351.334	NRZAGFTVKNANDD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-078297
CCCCOc1cc(ccc2-c1ccc2)C(P(=O)(O)O)(C(=O)N)C	PC-id_67555355,SCHEMBL8336386	351.334	JUMFOQDTAMQYDF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-078298
CCCCONC(=O)Cc1cc(ccc2-c1ccc2)CP(=O)(O)O	SCHEMBL8336381,PC-id_88281244	351.334	YRVSHQXOPGHQHN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-078299
c1(CN(C)C(=O)COCC(F)(F)C(F)F)c2CCCCCc2[nH]n1	PC-id_91763336,EMOLS-id_55612155,MCULE-4513530107	351.34	DWWUABIZWDWHTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078300
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCCc2c(C1)cco2	EMOLS-id_320268283,MCULE-2600080426	351.341	BXUGIWILAMXIHR-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078301
COc1ccc(CC(=O)N2CCCc3occc3C2)cc1OC(F)F	MCULE-6453847066,ZINC22_529397623,EMOLS-id_177339507	351.345	NCTFLYDPRHDMQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078302
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1c(F)cc(cc1F)OC	PC-id_90648506,EMOLS-id_50530069,MCULE-9444116716	351.348	CUYPDTKZSBRYRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078303
COc1cc(F)c(C(=O)N2CCCn3nc([C@H](C)O)cc3C2)c(F)c1	PC-id_100032435,ZINC22_219043599	351.348	CUYPDTKZSBRYRP-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-078304
COc1cc(F)c(C(=O)N2CCCn3nc([C@@H](C)O)cc3C2)c(F)c1	ZINC22_219043515,PC-id_100032433	351.348	CUYPDTKZSBRYRP-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078305
FC1(F)CCN(CC2CCn3nccc3CN2C(=O)c2cocn2)C1	EMOLS-id_313817894	351.351	ZFLSRUCQSLDSKF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078306
O=C(c1cocn1)N1Cc2ccnn2CC[C@@H]1CN1CCC(F)(F)C1	ZINC22_585098537	351.351	ZFLSRUCQSLDSKF-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078307
O=C(c1cocn1)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1	ZINC22_585098541	351.351	ZFLSRUCQSLDSKF-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078308
O=C(NCc1nnc2n1CCCCC2)Nc1cccc(OC(F)F)c1	EMOLS-id_29689101,PC-id_45899466,MCULE-1020115345,CoCoCo_4920230,ZINC22_40120508	351.351	ANFZOSPJCAFHOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078309
Cc1cnnn1Cc1nnn2c1CN(C(=O)C1CC(F)(F)C1)CCC2	ZINC22_1565555339,EMOLS-id_313729242	351.354	XRJAISXTOLXLKH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-078310
CN1CC(=O)N(CC(=O)N2CCCn3nc(cc3C2)C(O)CO)C1=O	MCULE-1330767289,EMOLS-id_55614193,PC-id_91764085	351.358	SAXHBAFRKKKJJP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078311
OC[C@@H](c1cc2n(n1)CCCN(C2)C(=O)CN1C(=O)CN(C1=O)C)O	PC-id_99972057	351.358	SAXHBAFRKKKJJP-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078312
OC[C@H](c1cc2n(n1)CCCN(C2)C(=O)CN1C(=O)CN(C1=O)C)O	PC-id_99972058	351.358	SAXHBAFRKKKJJP-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078313
c1(c[nH]c(c2ccccc2)n1)C(=O)N1CCCn2c(cc(n2)C(=O)O)C1	EMOLS-id_32416822,PC-id_50973870,ZINC22_65456734,MCULE-4249078777	351.359	PRDGFHCSTBWITJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078314
c1(C(=O)N)cn2c(CCN(CC2)C(=O)c2cc(on2)c2ccccc2)n1	EMOLS-id_331092752,ZINC22_1875243401,MCULE-9468271621	351.359	GBHDXBNBNCLQQE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078315
CCC1c2nnc(o2)CNC(=O)NC(=O)NC(=O)CN(C(=C)N1C)C	SCHEMBL18652945	351.361	ZXEMHYTXFQCKQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078316
c1(c2ccccc2n(C)n1)C(=O)N1CCn2c(nn(CC#N)c2=O)CC1	PC-id_91910689,MCULE-6466270676	351.363	JHPOMNYJIWJINN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078317
C1Cn2c(ccn2)NC(=O)[C@H]1NC(=O)c1nn(cn1)Cc1ccccc1	SCHEMBL18373022,PC-id_137052849	351.363	POFVNRVEGJOBPU-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078318
Cc1cnc(cn1)C(=O)N1CC(Cn2nccc2C1)Oc1ncccn1	EMOLS-id_50011198	351.363	WJSXREGEOGOVCQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-078319
Cc1cnc(C(=O)N2Cc3ccnn3C[C@@H](Oc3ncccn3)C2)cn1	ZINC22_306141905	351.363	WJSXREGEOGOVCQ-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-078320
Cc1cnc(C(=O)N2Cc3ccnn3C[C@H](Oc3ncccn3)C2)cn1	ZINC22_306141906	351.363	WJSXREGEOGOVCQ-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-078321
CC(C)(C(=O)N1CCCc2occc2C1)c1cccc(C(F)(F)F)c1	ZINC22_580124726	351.363	YFXCJRDGDBWGPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078322
CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(C(F)(F)F)cc1	ZINC22_1596217415	351.363	GVVQFUXGSQZFCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078323
O=C1Nc2nc[nH]c2CCC1NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19037404	351.363	ONOAGSTZMRSDDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078324
O=C(C1CCn2c(CC1)nnn2)Nc1cccc(c1)Oc1cccnn1	EMOLS-id_320346733,PC-id_145898234,MCULE-2209922885	351.363	JBRJHCQUGJNKJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078325
O=C(c1cnccn1)N1CCc2nnc(COc3ccccn3)n2CC1	ZINC22_96058884,PC-id_97381541	351.363	UHVUXMHZQABNMU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078326
O=C(Nc1ccccc1)C1CN(Cc2ncnn2C1)C(=O)c1cc[nH]n1	EMOLS-id_313722071	351.363	KJSJFEPAURWSBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078327
O=C(Nc1ccccc1)[C@@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1	ZINC22_1565546803	351.363	KJSJFEPAURWSBW-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078328
O=C(Nc1ccccc1)[C@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1	ZINC22_2055708114	351.363	KJSJFEPAURWSBW-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078329
O=C(Nc1cccc(Oc2cccnn2)c1)[C@@H]1CCc2nnnn2CC1	ZINC22_566565404	351.363	JBRJHCQUGJNKJB-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078330
O=C(Nc1cccc(Oc2cccnn2)c1)[C@H]1CCc2nnnn2CC1	ZINC22_566565405	351.363	JBRJHCQUGJNKJB-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078331
O=C(Nc1cccnc1)c1ncn2c1CN(C(=O)c1cc[nH]n1)CCC2	EMOLS-id_313787962,ZINC22_1565548479	351.363	CVNAQKMSZNDUFR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078332
O=S(=O)(c1ccc(s1)C(F)(F)F)N1CCCc2c(C1)cco2	EMOLS-id_99698468	351.364	KWRFTOJDAZQJEW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-078333
c1(NC(=O)c2ccc(c(F)c2)F)sc2c(CCCCC2)c1C(=O)O	EMOLS-id_179129763,MCULE-5490329609,PC-id_28860520	351.368	KXSLCANBCIARID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078334
O=S(=O)(c1c[nH]nc1C(F)(F)F)N1CCCc2c(C1)ccs2	EMOLS-id_316614443	351.368	LKVQOAPAROQUOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078335
CCOC(=O)Oc1c(N)c(c2-c1ccc(cc2)S)OC(=O)OCC	SCHEMBL8336876,PC-id_17776034	351.374	VDIAFYKLPOHVAN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-078336
C[n+]1c(c(=O)o[nH]1)/C(=N/c1c(c2c(s1)CCCCC2)C(=O)OC)/[O-]	PC-id_136120636	351.378	GIPCUEWXRMSEFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078337
O(c1cc(/C=C(c2n3CCCCCc3nn2)/C#N)ccc1)CCC(=O)[O-]	PC-id_52794283	351.379	BCJBNJNMQDADJK-PTNGSMBKSA-M	00000000100000110101000000000010000000000000000000000000	31-01-078338
O(c1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1)CCC(=O)[O-]	PC-id_75941479	351.379	BCJBNJNMQDADJK-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-078339
CCN1CCN(C(=O)C1=O)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625577	351.381	ZQBMPTNEJJWXTR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078340
O=C(N1CCOc2c(C1)scc2C(C(F)(F)F)C)OC(C)(C)C	PC-id_67959171,SCHEMBL9903147	351.384	MPLDXLJIGOJSMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078341
Brc1c2CSCCCCCCSCc1sc2C	PC-id_10641664	351.389	BPQJIMYSGSTAAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078342
CC[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(OC(F)F)cc1)C2	PC-id_100066976,ZINC22_221319465	351.391	NCMZGZDUBCJHBM-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078343
CC[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(OC(F)F)cc1)C2	PC-id_100066977,ZINC22_221319524	351.391	NCMZGZDUBCJHBM-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078344
CCC(O)c1cc2CN(Cc3ccc(OC(F)F)cc3)CCCn2n1	PC-id_90652599,MCULE-2503693751,EMOLS-id_50545145	351.391	NCMZGZDUBCJHBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078345
FC1(F)CC(C1)C(=O)N1CCc2ccc(C(=O)N3CCCC3)n2CC1	EMOLS-id_313772238,ZINC22_1565554179	351.391	LNKXELFEFCZJBO-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-078346
FC1(F)CC(C1)C(=O)N1CCc2ccc(C(=O)NCC3CC3)n2CC1	ZINC22_1565544130,EMOLS-id_313773775	351.391	LTKBHCVGAKFHCO-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-078347
c12CN(CCCn1nc(CN1CC=CC1)c2)C(=O)[C@H]1NCC(F)(F)C1	ZINC22_102752216,EMOLS-id_43161398,MCULE-5843256633,PC-id_56910601	351.394	XLXCPANLTKDRKO-HNNXBMFYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-078348
C=CCn1c(C(=O)OCC)c2c(c1C(=O)OCC)OCC(CO2)(C)C	PC-id_142259652	351.394	ZKLFXFSQVXFPFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078349
FC1(F)CC(NC1)C(=O)N1CCCn2nc(cc2C1)CN1CC=CC1	PC-id_76438652	351.394	XLXCPANLTKDRKO-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-078350
Cc1ccc(c(c1)F)S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_112057077	351.396	KNIZYXHHFDPWDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078351
Cc1cc(F)cc(c1)S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_112057046	351.396	NRIPKJIVTCABOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078352
CCC1=CCc2c(C=C1)c(cn2C)C(c1ccc2c(c1)OCO2)C(=O)O	PC-id_141885979	351.396	GMQUKOJEXIELKZ-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-078353
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccccc1F	EMOLS-id_33087274,MCULE-7291876996,PC-id_53182924	351.396	VWSCGHBNANVVLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078354
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cccc(F)c1	PC-id_53182943,EMOLS-id_33087352,MCULE-5443195603	351.396	FHUTXNPENOIXNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078355
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(F)cc1	PC-id_53182925,MCULE-1613710014,EMOLS-id_33087276	351.396	BSNXSLTVUHWBJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078356
CCN(c1ccc(F)cc1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	PC-id_53182850,EMOLS-id_33086602,MCULE-8937573793	351.396	UFNQCVIDGYLNPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078357
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(C)cc1F	EMOLS-id_33086896,MCULE-7891248736,PC-id_53182882	351.396	JPHZHYZLEUTTMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078358
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cc(C)ccc1F	EMOLS-id_33086898,MCULE-1268755268,PC-id_53182883	351.396	SRRXNCNTPXXZNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078359
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(F)cc1C	EMOLS-id_33086834,MCULE-5848319903,PC-id_53182874	351.396	TWFZDWHPIKDDBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078360
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(F)c(C)c1	MCULE-1696293967,PC-id_53182881,EMOLS-id_33086892	351.396	DMXFWRIHQZARMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078361
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cc(F)ccc1C	MCULE-4160511376,EMOLS-id_33086854,PC-id_53182877	351.396	ZNQNMZQIWRHAHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078362
Fc1cccnc1OC1CN(Cc2cccn2C1)S(=O)(=O)C1CC1	EMOLS-id_55745688	351.396	ITWGJAAFEGGJSS-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-078363
O=S(=O)(C1CC1)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_306130004	351.396	ITWGJAAFEGGJSS-CYBMUJFWSA-N	00100000100000101101000000000010000000000000000000000000	31-01-078364
O=S(=O)(C1CC1)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_306130005	351.396	ITWGJAAFEGGJSS-ZDUSSCGKSA-N	00100000100000101101000000000010000000000000000000000000	31-01-078365
CC(C[C@@H](C(=O)O)NC(=O)CNC(=O)c1noc2c1CCCCC2)C	EMOLS-id_57907166,PC-id_120695569,MCULE-9300695765	351.397	YNQDTUGPYSOXEA-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078366
COC(C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2)OC	EMOLS-id_278967692	351.397	SIISEOKJQHEASX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078367
OOC(CN1CCCc2c(C1=O)c(C)c([nH]2)C=O)CN1CCOCC1	PC-id_142702205	351.397	LSTAOCOTPTUYPA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078368
c1(ccoc1COc1ccc(cc1)C)C(=O)N1CCCn2cncc2C1	EMOLS-id_43068533,MCULE-5082493090,PC-id_56884846,ZINC22_72128407	351.399	ZAQZMOFNDDBKKY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-078369
c1(oc(cc1C)COc1ccccc1)C(=O)N1CCCn2cncc2C1	ZINC22_72169718,EMOLS-id_43175351,PC-id_56915405,MCULE-1357761727	351.399	RCFSFFQCIYWISU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-078370
Cc1ccoc1C(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_253480255	351.399	VREGYTFJSLSLKL-GOSISDBHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078371
Cc1ccoc1C(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_253480256	351.399	VREGYTFJSLSLKL-SFHVURJKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078372
Cc1ccoc1C(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_50375507	351.399	VREGYTFJSLSLKL-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078373
Cc1coc(n1)c1cc(ccc1C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101044420	351.399	CWCAPNOYURDUCO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078374
CCOC(=O)c1n2CCCCCc2c(c1NC(=O)c1ccccc1)C#N	NSC697458,PC-id_394189,CoCoCo_5764221	351.399	WVDUPAGTVPRCFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078375
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1cc2ccccc2o1	EMOLS-id_313807663	351.399	ZEFCZJWBZLACDC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078376
CNC(=O)C[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cccn2C1	ZINC22_585099257	351.399	ZEFCZJWBZLACDC-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078377
CNC(=O)C[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cccn2C1	ZINC22_585099258	351.399	ZEFCZJWBZLACDC-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078378
O=C(c1noc2c1CCCCC2)Nc1cccc(c1)c1oc(c(n1)C)C	EMOLS-id_100944525	351.399	GEFYAVOMNYUBCQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078379
C1CCC(CC1)CNC(=O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580453,SCHEMBL14966161	351.401	TWHFXCULBWOZPX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078380
c12CN(CCCn1nc(C)c2)C(=O)CCc1onc(c2ccccc2)n1	PC-id_70733905,MCULE-4333955618,EMOLS-id_43572327,ZINC22_77379798	351.402	HGERZTLFDFPTBL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078381
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1ccc(cc1)n1ccnc1	EMOLS-id_50540701,PC-id_90651394,MCULE-1079316681	351.402	WITUCQFSKSTQII-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078382
c12CN(CCCn1nc(CO)c2)C(=O)c1cccc(c1)Cn1cccn1	PC-id_91764107,EMOLS-id_55614261,MCULE-2030961414	351.402	SWAYYAYGQSQQKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078383
c1(c2ccccc2[nH]n1)C(=O)N1CCCn2c(cc(n2)C(O)C2CC2)C1	MCULE-9386575847,PC-id_91781247,EMOLS-id_55663449	351.402	JZPYPRHFNNTFAS-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-078384
c1(cc(oc1C)C)C(=O)N1CCn2c(CC1)nnc2Cc1cccnc1	PC-id_70738603,EMOLS-id_44435367,ZINC22_82109093,MCULE-5818144640	351.402	KRMKLUOMYHHZTJ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078385
c1(c(C)ocn1)C(=O)N1CCn2c(CC1)nc(CCc1ccccc1)n2	ZINC22_2100542664,EMOLS-id_337670611,MCULE-1423487150	351.402	CUBMSRFTUAKLOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078386
c1(c(C)onc1c1ccccc1)C(=O)NCc1cc2n(CCCNC2)n1	EMOLS-id_49672718,MCULE-2422809835,ZINC22_97742652,PC-id_74246688	351.402	LBJXYNZRJDSHNJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078387
c1(cnn(c2ccccc2OC)c1)C(=O)N1CCCn2nc(C)cc2C1	PC-id_50974237,MCULE-6898976697,ZINC22_65458909,EMOLS-id_32417528	351.402	LNSMEPROGFTGQP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078388
c1(cnn(Cc2ccccc2)c1)C(=O)N1CCCn2nc(CO)cc2C1	EMOLS-id_55603116,MCULE-1791503740,PC-id_91760114	351.402	NGYDILWLQVLBHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078389
c1(C(=O)NCc2coc(c3ccccc3)n2)cc2n(CCCN(C)C2)n1	EMOLS-id_32424830,ZINC22_65491632,MCULE-4590552462,PC-id_50978108	351.402	VBWZUVSJMFEVBA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078390
c1(C(=O)NCc2onc(Cc3ccccc3)n2)c2CCCCCc2[nH]n1	MCULE-8167006119,EMOLS-id_323248316	351.402	QNWUAODFFKRHAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078391
c1(C(=O)NCCc2onc(c3ccccc3)n2)c2CCCCCc2[nH]n1	MCULE-8963068078,EMOLS-id_323251641	351.402	XPBBLYSGYVPXGB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078392
c1(C(=O)N)cn2c(CCN(CC2)C(=O)Cc2c3ccccc3[nH]c2C)n1	MCULE-6189318455,ZINC22_1875246657,EMOLS-id_331095852	351.402	DORWEEXDBSHIMT-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078393
c1(C(=O)O)cc2n(CCCN(Cc3ccccc3Cn3cccn3)C2)n1	PC-id_50948415,EMOLS-id_32368430,MCULE-2012768656,ZINC22_65369993	351.402	RBCHFRMXFVUVKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078394
c1(C(=O)O)cc2n(CCCN(Cc3cc(C)ccc3n3cccn3)C2)n1	EMOLS-id_32427864,ZINC22_65499501,PC-id_50979743,MCULE-8214587165	351.402	KZGAOQLGBOFWMN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078395
c1(C(=O)OC)cc2n(CCCN(Cc3cccn3c3ccccn3)C2)n1	ZINC22_65386471,EMOLS-id_32384606,PC-id_50956821,MCULE-9078435031	351.402	MNHUAYQUZQISAE-UHFFFAOYSA-N	00000000110000101101100000000010000000000000000000000000	31-01-078396
c1(C(=O)OC)cc2n(CCCN(Cc3cccn3c3cccnc3)C2)n1	PC-id_50970434,ZINC22_65429992,MCULE-6778845382,EMOLS-id_32410364	351.402	FFRVXONSSONQFI-UHFFFAOYSA-N	00000000110000101101100000000010000000000000000000000000	31-01-078397
c1([nH]c2c(cccc2)n1)C(=O)N1CCCn2c(cc(n2)C(O)C2CC2)C1	EMOLS-id_55685713,PC-id_91788958,MCULE-6032163101	351.402	MJSBEUDSWSLFEQ-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-078398
C=C1c2ccccc2C(=O)N1CC(=O)NCc1nnc2n1CCCCC2	ZINC22_41821147,PC-id_47019789,GD-id_ZINC41821147,EMOLS-id_31380200,MCULE-8400944851	351.402	GGBPIVLYYBTQGF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-078399
Cc1cc2n(n1)CCCN(C(=O)c1cc(COc3ccccc3)[nH]n1)C2	ZINC22_67712999,MCULE-5223988481,PC-id_56750510,EMOLS-id_36593942	351.402	INYZVNMVTLNXKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078400
Cc1cc(CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)on1	EMOLS-id_337780784,ZINC22_2356148212,MCULE-5478889364	351.402	LYCIZJVCKQMDNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078401
Cc1cc(Oc2ccc(NC(=O)c3cc4c([nH]3)CCCNC4)cc2)n[nH]1	ZINC22_2325820857	351.402	SSKKMIBYAXCBBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078402
Cc1cnc(O)n1c1ccc(C(=O)N2Cc3c[nH]nc3C[C@@H](C)C2)cc1	ZINC22_1645214842	351.402	YOHNLMAGNWYHBX-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078403
Cc1cnc(O)n1c1ccc(C(=O)N2Cc3c[nH]nc3C[C@H](C)C2)cc1	ZINC22_1645214843	351.402	YOHNLMAGNWYHBX-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078404
Cc1coc(n1)c1cc(ccc1C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316636249	351.402	OTOWEQQVYDRSCS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078405
Cc1ncc(C(=O)N2Cc3cncn3CC[C@H]2COc2ccccc2)[nH]1	ZINC22_585097287	351.402	JTHNIESUOWNXJU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078406
Cc1ncc(C(=O)N2Cc3cncn3CC[C@@H]2COc2ccccc2)[nH]1	ZINC22_585097290	351.402	JTHNIESUOWNXJU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078407
Cc1nc(c[nH]1)C(=O)N1Cc2cncn2CCC1COc1ccccc1	EMOLS-id_313816869	351.402	JTHNIESUOWNXJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078408
Cc1[nH]nc(n1)c1ccc(c(c1)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_101064283	351.402	AYWRMNFFSYWAIK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078409
Cc1occc1C(=O)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_248007921	351.402	HVWOHNYROUFAGR-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078410
Cc1occc1C(=O)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_248007926	351.402	HVWOHNYROUFAGR-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078411
Cc1occc1C(=O)N1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_50371799	351.402	HVWOHNYROUFAGR-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078412
Cc1onc(c1C(=O)N1CCn2c(CC1)nnc2Cc1ccccc1)C	ChEMBL-DNDi_CHEMBL60738422	351.402	UIIOFEBKJCGVPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078413
Cc1onc(c2ccccc2)c1C(=O)NCc1nnc2n1CCCCC2	MCULE-2941674136,ZINC22_48277242,PC-id_47019770,EMOLS-id_30674854	351.402	GULMETKOJJTBFT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078414
CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(c2nn[nH]n2)cc1	ZINC22_1589040162	351.402	OZSWXVSDXDRPMW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078415
C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(n3ccnc3)cc1)C2	PC-id_100065916,ZINC22_221199481	351.402	WITUCQFSKSTQII-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078416
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(n3ccnc3)cc1)C2	PC-id_100065917,ZINC22_221199547	351.402	WITUCQFSKSTQII-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078417
Cn1cccc1C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	EMOLS-id_50585977,PC-id_91910701,MCULE-4920293350	351.402	YUCVBANTLNSTLD-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-078418
Cn1ccc(C(=O)N2Cc3cncn3CC[C@H]2COc2ccccc2)n1	ZINC22_585096970	351.402	GDVCEDULJYTXLZ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078419
Cn1ccc(C(=O)N2Cc3cncn3CC[C@@H]2COc2ccccc2)n1	ZINC22_585096971	351.402	GDVCEDULJYTXLZ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078420
Cn1ccc(n1)C(=O)N1Cc2cncn2CCC1COc1ccccc1	EMOLS-id_313737405	351.402	GDVCEDULJYTXLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078421
Cn1cc(cn1)C(=O)N1CC(Cn2cccc2C1)OCc1ccncc1	EMOLS-id_50008374	351.402	FBZRVDYIJFAOPH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078422
Cn1cc(C(=O)N2Cc3cccn3C[C@@H](OCc3ccncc3)C2)cn1	ZINC22_248102020	351.402	FBZRVDYIJFAOPH-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078423
s1c2CCCCCCc2cc1C(=O)NNC(=S)NC1CCCC1	PC-id_9147295	351.53	ZFKJDKQINJGDBL-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078828
Cn1cc(C(=O)N2Cc3cccn3C[C@H](OCc3ccncc3)C2)cn1	ZINC22_248102025	351.402	FBZRVDYIJFAOPH-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078424
Cn1cnc(c1)C(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_55752281	351.402	XDYDELGFCWPSEW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078425
Cn1cnc(C(=O)N2Cc3cccn3C[C@H](OCc3ccccn3)C2)c1	ZINC22_575406889	351.402	XDYDELGFCWPSEW-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078426
Cn1cnc(C(=O)N2Cc3cccn3C[C@@H](OCc3ccccn3)C2)c1	ZINC22_575406890	351.402	XDYDELGFCWPSEW-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078427
Cn1nccc1C(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_248035450	351.402	MQNLSAJGOKGLRT-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078428
Cn1nccc1C(=O)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_248035454	351.402	MQNLSAJGOKGLRT-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078429
Cn1nccc1C(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_50007888	351.402	MQNLSAJGOKGLRT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078430
CNC(=O)c1cn2CCN(Cc3coc(n3)c3ccccc3)CCc2n1	ZINC22_2100484026,EMOLS-id_337648581	351.402	ZSGIJJGBHORZCH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078431
COc1cc(n2ccnc2)ccc1NC(=O)c1cc2c([nH]1)CCCNC2	ZINC22_2325820861	351.402	UCFXSDZYPSHAID-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078432
COc1ncccc1CN1Cc2cccn2C[C@@H](Oc2ncccn2)C1	ZINC22_585112213	351.402	NABNUFZBUWTCKM-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078433
COc1ncccc1CN1Cc2cccn2C[C@H](Oc2ncccn2)C1	ZINC22_585112214	351.402	NABNUFZBUWTCKM-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078434
COc1ncccc1CN1CC(Cn2cccc2C1)Oc1ncccn1	EMOLS-id_313781393	351.402	NABNUFZBUWTCKM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078435
N#Cc1cccc(c1)C1OCCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319194252	351.402	SNQKSGSEGGTAOI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-078436
N#Cc1ccc(C(=O)N2CCCn3nnc(COCC4CC4)c3C2)cc1	EMOLS-id_44369486,PC-id_97519058,ZINC22_96258968	351.402	CFZDEYBVCCXALA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-078437
N#Cc1cccnc1N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111824452	351.402	PEOZVBKSORWXCO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-078438
N#Cc1ccnc(c1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111824485	351.402	CHNHIAILHFEDNH-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-078439
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccnc(c1)OC1CCC1	EMOLS-id_99017945	351.402	YKNOLHOHAAJAAL-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-078440
Oc1ccc(cc1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)n1cncc1	EMOLS-id_316657360	351.402	MIMNRLDJYLEYSV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078441
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)c1oc(c(n1)C)C	MCULE-6998870609,EMOLS-id_320283281	351.402	DYJMLTLNTNPOQQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078442
O=C(c1cnc2ccccn12)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_585099191	351.402	SMKGLVSRPLQXTP-INIZCTEOSA-N	00100000100000100101000001000010000000000000000000000000	31-01-078443
O=C(c1cnc2ccccn12)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_585099192	351.402	SMKGLVSRPLQXTP-MRXNPFEDSA-N	00100000100000100101000001000010000000000000000000000000	31-01-078444
O=C(c1cnc2n1CCCCC2)NC(c1ncon1)Cc1ccccc1	EMOLS-id_316561033	351.402	OKJPQNHSKGVVOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078445
O=C(c1nc2ccccc2[nH]1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	PC-id_100180488,ZINC22_223022287	351.402	MJSBEUDSWSLFEQ-KRWDZBQOSA-N	00100000100000100101000001000010000000000000000000000000	31-01-078446
O=C(c1nc2ccccc2[nH]1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_223022358,PC-id_100180499	351.402	MJSBEUDSWSLFEQ-QGZVFWFLSA-N	00100000100000100101000001000010000000000000000000000000	31-01-078447
O=C(c1n[nH]c2ccccc12)N1CCCn2nc([C@H](O)C3CC3)cc2C1	PC-id_100087027,ZINC22_222226548	351.402	JZPYPRHFNNTFAS-GOSISDBHSA-N	00100000100000100101000001000010000000000000000000000000	31-01-078448
O=C(c1n[nH]c2ccccc12)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_222226489,PC-id_100087023	351.402	JZPYPRHFNNTFAS-SFHVURJKSA-N	00100000100000100101000001000010000000000000000000000000	31-01-078449
O=C(c1noc2c1CCCCC2)Nc1cccc(c1)c1nnc(n1C)C	EMOLS-id_100146440	351.402	LKRDZDSRYJHMPI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078450
O=C(c1nocc1C)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_316645966	351.402	BXWLYWHRGBZXLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078451
O=C(Cc1ccco1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_306129483	351.402	IEPGWEUZFZNNOL-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078452
O=C(Cc1ccco1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_306129484	351.402	IEPGWEUZFZNNOL-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078453
O=C(Cc1ccco1)N1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_55735391	351.402	IEPGWEUZFZNNOL-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078454
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Cc1nnc(o1)c1ccccc1	EMOLS-id_316667992	351.402	GNBAOENVPDXJJV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078455
O=C(N1CC(Cn2nccc2C1)OCC1CC1)c1cnc2ccccn12	EMOLS-id_313811492	351.402	SMKGLVSRPLQXTP-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-078456
O=C(N(C(c1[nH]cnn1)c1ccccc1)C)c1noc2c1CCCCC2	EMOLS-id_258096711	351.402	WRSOMGGNFODYFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078457
[O-][N+](=O)c1c(C(C)C)ccc(/C=C(/c2n3CCCCCc3nn2)C#N)c1	PC-id_35863988	351.402	UYHAIQDQUAVQBY-XNTDXEJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078458
[O-][N+](=O)c1c(C(C)C)ccc(C=C(c2n3CCCCCc3nn2)C#N)c1	PC-id_74646353	351.402	UYHAIQDQUAVQBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078459
c12C(CCCCn1nnn2)C(=O)NCc1ccccc1Cn1cccn1	MCULE-1280655905,EMOLS-id_68900522,PC-id_118775235	351.406	FZGYZHSMQRHJKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078460
c12C(CCCCn1nnn2)C(=O)NCc1cnn(c2ccccc2C)c1	PC-id_118780100,MCULE-9918555289,EMOLS-id_68910517	351.406	DONWHIVFGNCFHQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078461
c12C(CCCCn1nnn2)C(=O)NCc1cnn(c2cccc(C)c2)c1	PC-id_118770080,MCULE-9654730374,EMOLS-id_68889880	351.406	SRUIEALCWPQOFM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078462
c12nnnn1CCCCC2C(=O)N(C)Cc1ccc(cc1)n1cccn1	EMOLS-id_68916620,PC-id_118783179,MCULE-3247547047	351.406	IEQISRKNDJGSQV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078463
c12nnnn1CCCCC2C(=O)N(C)Cc1cccc(c1)n1cccn1	EMOLS-id_68924778,PC-id_118787362,MCULE-5640342601	351.406	ZXPWVTXRQVADOV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078464
c1(C(C)NC(=O)c2cccc(c2)n2cccn2)nnc2CCNCCn12	EMOLS-id_36454927,PC-id_56717283,MCULE-5679728621	351.406	AYHYPSFKDVCTFD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078465
c1(c(C)[nH]nc1Nc1ccccc1)NC(=O)c1cn2c(CCNCC2)n1	MCULE-8597241928,PC-id_154820075,ZINC22_1857730398,EMOLS-id_324321908	351.406	OSCXHWUIZQKWGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078466
c1(ccnn1c1ccccc1)NC(=O)NCc1nnc2CCCCCn12	EMOLS-id_49164386,MCULE-2935349206,ZINC22_96152519,PC-id_72900167	351.406	XQHFQJZHDGBBCK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078467
c1(CN(C)C(=O)c2ccc(cc2)n2cnnn2)c2CCCCCc2[nH]n1	EMOLS-id_32386408,MCULE-3370084267,PC-id_50957761,ZINC22_67695831	351.406	UTCFPSJIFLMVRG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078468
c1(C(=O)Nc2ccc(cc2)Cc2[nH]c(nn2)C)cn2c(CCNCC2)n1	ZINC22_1857730760,EMOLS-id_324318325,MCULE-7061228101,PC-id_154817583	351.406	WIUSMSQAANYHOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078469
c1(C(=O)NCc2ccccc2n2cncn2)cc2n(CCCN(C)C2)n1	ZINC22_65386390,PC-id_50956775,MCULE-8750487832,EMOLS-id_32384526	351.406	QAPLVBPOJJEGLP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078470
c1(C(=O)NCc2nnc(c3ccccc3)[nH]2)cc2n(CCCN(C)C2)n1	EMOLS-id_32424346,MCULE-1038376700,PC-id_50977852,ZINC22_67894956	351.406	UDRINKPNHXLBSJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078471
c1(C(=O)NC)cn2c(CCN(Cc3cn(nn3)c3ccccc3)CC2)n1	MCULE-3148095474,ZINC22_1940196036,EMOLS-id_336500923	351.406	FOPQBKCGSUKHLQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078472
Cc1ccccc1n1cc(CNC(=O)[C@H]2CCCCn3nnnc23)cn1	ZINC22_299782384	351.406	DONWHIVFGNCFHQ-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078473
Cc1ccccc1n1cc(CNC(=O)[C@@H]2CCCCn3nnnc23)cn1	ZINC22_299782412	351.406	DONWHIVFGNCFHQ-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078474
Cc1cccc(n2cc(CNC(=O)[C@H]3CCCCn4nnnc34)cn2)c1	ZINC22_299761500	351.406	SRUIEALCWPQOFM-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078475
Cc1cccc(n2cc(CNC(=O)[C@@H]3CCCCn4nnnc34)cn2)c1	ZINC22_299761501	351.406	SRUIEALCWPQOFM-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078476
Cc1ccc(n2cc(C(=O)NCc3nnc4n3CCCCC4)nn2)cc1	ZINC22_40093436,PC-id_45887556,MCULE-2560557832,EMOLS-id_30252597	351.406	DFMQVKJISRRVNA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078477
Cc1cc(N(C)Cc2nnc3n2CCOCC3)nc(c2ccccn2)n1	EMOLS-id_320326346,ZINC22_1615547926,MCULE-7870309541	351.406	GRHDTBHDJKUWGO-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-078478
CCc1ccc(cn1)C(=O)N1CCc2nnc(Cn3cccn3)n2CC1	EMOLS-id_313728986,ZINC22_2055713767	351.406	IZRJWKOTKKGUQH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078479
CCc1ccc(cn1)C(=O)N1CCCn2c(Cn3ccnc3)nnc2C1	EMOLS-id_313786265,ZINC22_1565555365	351.406	YRIGNXRWDXMIGO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078480
CCc1ccc(cn1)C(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_313722588	351.406	XDHIMTZXGUNZSS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078481
CCc1ccc(C(=O)N2Cc3nccn3C[C@H](Cn3cncn3)C2)cn1	ZINC22_1565543489	351.406	XDHIMTZXGUNZSS-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078482
CCc1ccc(C(=O)N2Cc3nccn3C[C@@H](Cn3cncn3)C2)cn1	ZINC22_1615102658	351.406	XDHIMTZXGUNZSS-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078483
CCc1ccc(n2cnnc2)cc1NC(=O)c1cn2c(n1)CCNCC2	ZINC22_1857710304	351.406	PVPKCAAQLFJPDU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078484
C[C@H](NC(=O)c1cccc(n2cccn2)c1)c1nnc2n1CCNCC2	ZINC22_67850083	351.406	AYHYPSFKDVCTFD-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078485
C[C@@H](NC(=O)c1cccc(n2cccn2)c1)c1nnc2n1CCNCC2	ZINC22_67850084	351.406	AYHYPSFKDVCTFD-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078486
CCn1cnnc1c1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316475275	351.406	PGOHAQHBPMVGIA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078487
CN(Cc1cccc(n2cccn2)c1)C(=O)[C@H]1CCCCn2nnnc12	ZINC22_299802603	351.406	ZXPWVTXRQVADOV-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078488
CN(Cc1cccc(n2cccn2)c1)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_299802604	351.406	ZXPWVTXRQVADOV-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078489
CN(Cc1ccc(n2cccn2)cc1)C(=O)[C@H]1CCCCn2nnnc12	ZINC22_299774851	351.406	IEQISRKNDJGSQV-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078490
CN(Cc1ccc(n2cccn2)cc1)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_299774859	351.406	IEQISRKNDJGSQV-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078491
CN(/C=C(/c1cnc2n1C=CN=C(C2)NC(=O)Nc1ccccc1)C)N	PC-id_143464686	351.406	NWJNPKBULXYXFH-OUKQBFOZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-078492
n12CCCNCc1cc(CCC(=O)Nc1ccc(cc1)n1cncn1)n2	MCULE-4591514064,EMOLS-id_43130795,PC-id_70747603,ZINC22_72432705	351.406	PYMHJZPMPGGWAC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078493
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)Cn1cncn1	PC-id_56718488,ZINC22_67879858,MCULE-3476510993,EMOLS-id_36457391	351.406	GOPIMCWZBWAMSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078494
n12CCNCCc1nnc2CCNC(=O)c1cccc(c1)c1cn[nH]c1	ZINC22_67726108,MCULE-3373002457,EMOLS-id_36434546,PC-id_56707422	351.406	LPCMDIATVJGFFH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078495
n1(cnnn1)C(c1ccccc1)C(=O)NCc1c2CCCCCc2[nH]n1	EMOLS-id_222768522,MCULE-9328640917	351.406	MRQKCBUBCXXPFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078496
N#Cc1ccc(cn1)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	MCULE-1809979813,EMOLS-id_319875000	351.406	HXMFJYCMTQFVKI-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-078497
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(cc1)Cn1ncnc1	MCULE-4951000088,EMOLS-id_319915335	351.406	UIVSXJPLOBRBIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078498
O=C(C1CCn2c(CC1)nnn2)NCCn1cncc1c1ccccc1	EMOLS-id_316593358	351.406	AFHHIHDDSFJFML-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078499
O=C(c1nnn(c1)Cc1ccccc1)NC1CCn2c(N(C1)C)ncc2	SCHEMBL19658579	351.406	LZFXHGZNLXESBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078500
O=C(N1CCn2c(nnc2C(C)C)CC1)c1cc(n2cnnc2)ccc1	PC-id_72901108	351.406	GIPIGHSIEHVCIH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078501
O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCCCn2nnnc12	ZINC22_299782317	351.406	FZGYZHSMQRHJKN-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078502
O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCCn2nnnc12	ZINC22_299782335	351.406	FZGYZHSMQRHJKN-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078503
O=C(NCc1nnc2n1CCCCC2)c1ccc(Cn2cncn2)cc1	ZINC22_41820863,PC-id_47019791,MCULE-7050912785,EMOLS-id_30726951	351.406	JRYKOVVULYKRKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078504
O=C(NCc1nnc2n1CCCCC2)c1cn(Cc2ccccc2)nn1	ZINC22_48324449,MCULE-1609832835,PC-id_47019797,EMOLS-id_30708116	351.406	PPGCYKBRFHKOIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078505
O=C(NCc1n[nH]c2c1CCCCC2)[C@H](c1ccccc1)n1cnnn1	ZINC22_670451388	351.406	MRQKCBUBCXXPFM-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078506
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H](c1ccccc1)n1cnnn1	ZINC22_670451389	351.406	MRQKCBUBCXXPFM-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078507
O=C(NCCc1n2CCNCCc2nn1)c1[nH]cnc1c1ccccc1	PC-id_56715841	351.406	DIBBCBWHNGANQH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078508
O=C(NCCc1nnc2n1CCCCC2)c1cnn(c2ccccc2)n1	ZINC22_48308972,EMOLS-id_44026409,PC-id_47016872,MCULE-1678588046	351.406	OHCXJDHUHMQDPS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078509
O=C(c1cc2c(s1)CCCCC2)NCC(c1ccc(c(c1)F)F)O	EMOLS-id_35703618,MCULE-3989399525,PC-id_53507980	351.411	NVEIQYIZPDTOEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078510
O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1cc2c(s1)CCCCC2	ZINC22_31299251	351.411	NVEIQYIZPDTOEO-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078511
O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1cc2c(s1)CCCCC2	ZINC22_31299253	351.411	NVEIQYIZPDTOEO-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078512
O=C(N(Cc1ccc(c(c1)F)F)C)Nc1nc2c(s1)CCCCC2	PC-id_112825105	351.414	UIZHUJUPFALFQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078513
O=C(NC(c1ccc(c(c1)F)F)C)Nc1nc2c(s1)CCCCC2	PC-id_112825165	351.414	WWJXXCBLDSIDGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078514
O=C(NC(c1ccc(cc1F)F)C)Nc1nc2c(s1)CCCCC2	PC-id_112825166	351.414	GGDHUVPMFYIVAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078515
c1(c2CCCCCc2sc1NC(=O)C=CC(=O)O)C(=O)OC(C)C	MCULE-7909457402,PC-id_2862872	351.417	ZVMVRXFETYDDMU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078516
c1(NC(=O)C2CC2C(=O)O)sc2c(CCCCC2)c1C(=O)OCC	MCULE-5184185909,PC-id_53270361	351.417	GWOKUNRLJQEKEX-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-078517
c1(NC(=O)C2CC2C(=O)O)sc2c(CCCCCC2)c1C(=O)OC	MCULE-7239428117,PC-id_53270362	351.417	AROYFLZOTVYRMB-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-078518
c1(NC(=O)C=C(C)C(=O)O)sc2c(CCCCC2)c1C(=O)OCC	PC-id_5099941,MCULE-2254769070	351.417	ARHLKLRMUZOGHK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078519
c1(NC(=O)C=CC(=O)O)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_2931854,MCULE-6558301396	351.417	PCPFLQJIVSJNKA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078520
c1(NC(=O)C=CC(=O)O)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_1027481,MCULE-8443150745	351.417	UXNZHLIFDKYDMV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078521
CC(C)OC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCC2	ChEMBL-DNDi_CHEMBL5703355,EMOLS-id_25875455,ZINC22_5021179,CoCoCo_684810,TIMTEC605678,PC-id_5342217,CK1932879	351.417	ZVMVRXFETYDDMU-CMDGGOBGSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078522
CCCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCC2	CoCoCo_900094,EMOLS-id_25950208,PC-id_5736847,ZINC22_4894169,TIMTEC373695	351.417	PCPFLQJIVSJNKA-CMDGGOBGSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078523
CCCOC(=O)c1c(NC(=O)/C=CC(=O)O)sc2c1CCCCC2	CoCoCo_900095	351.417	PCPFLQJIVSJNKA-HJWRWDBZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078524
CCOC(=O)c1c(NC(=O)/C=C(C)/C(=O)O)sc2c1CCCCC2	TIMTEC60299,EMOLS-id_46441816,ZINC22_5598535,PC-id_6270157	351.417	ARHLKLRMUZOGHK-MDZDMXLPSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078525
CCOC(=O)c1c(NC(=O)/C=C(C(=O)O)/C)sc2c1CCCCC2	CoCoCo_5806790,CoCoCo_5806789	351.417	ARHLKLRMUZOGHK-KTKRTIGZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078526
CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCCC2	CoCoCo_896813,SPECS-id_AK-968/37272002,EMOLS-id_25949210,ChEMBL-DNDi_CHEMBL7230729,ZINC22_4646628,TIMTEC491133,PC-id_5434067	351.417	UXNZHLIFDKYDMV-MDZDMXLPSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078527
CCOC(=O)c1c(NC(=O)/C=CC(=O)O)sc2c1CCCCCC2	CoCoCo_896814,PC-id_97636250	351.417	UXNZHLIFDKYDMV-KTKRTIGZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078528
COc1cc(c(cc1OC)C)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99299413	351.417	DWMYRYNXRRGIBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078529
OC(=O)/C=CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2	CoCoCo_684811	351.417	ZVMVRXFETYDDMU-HJWRWDBZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078530
s1c2c(CCCCC2)c(c1NC(=O)C1=COCCO1)C(=O)OCC	PC-id_4326474	351.417	WUZLQOKKTBLNNW-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-078531
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C1CC1)C(=O)OC	PC-id_4307244	351.417	NJUJDUNFSFOREM-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-078532
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C=CC)C(=O)OC	PC-id_4298025	351.417	ILQSTJJLYLSKEE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078533
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)/C=C/C)C(=O)OC	PC-id_6061774	351.417	ILQSTJJLYLSKEE-XVNBXDOJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078534
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CSc1ccc(cc1)F	PC-id_90625446	351.419	DXAKSVBCLOSDOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078535
S(=O)(=O)(OCCc1c2-c(cc1)ccc(cc2)C#N)c1ccc(cc1)C	PC-id_85856830	351.419	NJPYGJIWBZHHMK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-078536
S(=O)(=O)(OCCc1c2-c(cc1)cccc(c2)C#N)c1ccc(cc1)C	PC-id_85915664	351.419	SBXCLMVECAOONE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-078537
S(=O)(=O)(OCCc1c2-c(cc1)cc(ccc2)C#N)c1ccc(cc1)C	PC-id_85916631	351.419	IOVZPAIHWWAEOH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-078538
S(=O)(=O)(OCCc1c2-c(c(c1)C#N)ccccc2)c1ccc(cc1)C	PC-id_71440783	351.419	BVNONZYPQSBHLB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-078539
S(=O)(=O)(OCCc1c2-c(cc1C#N)ccccc2)c1ccc(cc1)C	PC-id_85856824	351.419	OKFWXWFLGMLYLP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-078540
c1(cn2c(C(=O)N(CCC2)CC)c1)S(=O)(=O)NCc1ccc(C)o1	EMOLS-id_33087332,PC-id_53182938,MCULE-1101967951	351.421	JDXWPEZVFRLIFK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-078541
Cc1ccc(cc1)S(=O)(=O)OCCn1nc2n(c1=O)CCCCC2	PC-id_19746038,SCHEMBL9378676	351.421	WRJXFWKXWNEOMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078542
Cc1ccc(CNC(=O)c2ccc3CN(CCCn23)S(=O)(=O)C)o1	MCULE-8833353253,EMOLS-id_317416284	351.421	JMBMYOROQYIPMZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-078543
Cc1nn(c2c1CN(C(CO2)COc1ccccc1)S(=O)(=O)C)C	EMOLS-id_323939310,PC-id_136590223	351.421	SIPUFTYWJSHIHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078544
CCOc1ccc(cc1)OC(c1nnc2n1CCS(=O)(=O)CC2)C	MCULE-4389810313,PC-id_136557084,EMOLS-id_316951882	351.421	JFDBVDBZEBSAOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078545
CCOc1ccc(O[C@H](C)c2nnc3n2CCS(=O)(=O)CC3)cc1	ZINC22_630951166	351.421	JFDBVDBZEBSAOA-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078546
CCOc1ccc(O[C@@H](C)c2nnc3n2CCS(=O)(=O)CC3)cc1	ZINC22_630951169	351.421	JFDBVDBZEBSAOA-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078547
COc1cccc(S(=O)(=O)N2CCCc3c(OC)nn(C)c3C2)c1	PC-id_97515544,ZINC22_96254494,EMOLS-id_44366670	351.421	PRZPRKGOKRALQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078548
S(=O)(=O)(OCCC1CCCCn2c1n[nH]c2=O)c1ccc(cc1)C	PC-id_19746017	351.421	ZDSCUCCXMZRQCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078549
N#Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_3154403,MCULE-5686719320,PC-id_24438406,ZINC22_14500592,EMOLS-id_19564578	351.422	XOVYXOPUPOBLLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078550
s1c2CCCCCc2c(c1NC(=O)COc1ccc(cc1)C#N)C#N	PC-id_1008552	351.422	KKHPRBOMKYVZNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078551
s1c2CCCCCc2c(c1NC(=O)COc1cc(ccc1)C#N)C#N	PC-id_45724335	351.422	ZUANDLGZWRGKGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078552
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1onc(CSC)n1	MCULE-2070032310,PC-id_56895772,ZINC22_72426527,EMOLS-id_43113431	351.424	ACSHVBVMOASWHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078553
c1(C(=O)O)cc2n(CCCN(C(=O)C[C@@H]3C[C@@H](C)NC(=S)N3)C2)n1	PC-id_50980531,EMOLS-id_32429390,MCULE-9518479839,ZINC22_65504904	351.424	LOAWIYRPKNKXJM-ZJUUUORDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078554
Cc1[nH]ccc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82115008,MCULE-5277883352,EMOLS-id_44436913,PC-id_70742756	351.424	QNHDGBPFNREBCS-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-078555
C[C@H]1C[C@H](CC(=O)N2CCCn3nc(C(=O)O)cc3C2)NC(=S)N1	ZINC22_210353026	351.424	LOAWIYRPKNKXJM-VHSXEESVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078556
CCn1cc(nc1C)S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_112057080	351.424	JUSLYMQMOVPGMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078557
CC(n1cnc(c1)S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2)C	EMOLS-id_112057043	351.424	CXIULRGTWHPXBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078558
CC(n1ncc(c1)S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2)C	EMOLS-id_112088576	351.424	YOFBWGRVGHYZDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078559
CCO/C(=C
/CNC(=O)N=C1CSc1nnc2n1CCCCC2)/O	CoCoCo_3854821,CoCoCo_3854822	351.424	SRKZFDRUBIRTQW-RAXLEYEMSA-N	00000000100011000101000000000010000000000000000000000000	31-01-078560
CCO/C(=C/1CNC(=O)N=C1CSc1nnc2n1CCCCC2)/O	CoCoCo_3854823,CoCoCo_3854820	351.424	SRKZFDRUBIRTQW-JLHYYAGUSA-N	00000000100011000101000000000010000000000000000000000000	31-01-078561
CCOC(=O)C1=C(CSc2nnc3n2CCCCC3)NC(=O)NC1	MCULE-3989409285,CoCoCo_3854819,ZINC22_8539040,PC-id_40763217,EMOLS-id_24970312	351.424	OKPLIXUIIJUDOV-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-078562
CCOC(=O)[C@H]1CNC(=O)N=C1CSc1nnc2n1CCCCC2	CoCoCo_3854824	351.424	LSTORAUDCFSQRK-JTQLQIEISA-N	00000000100011000101000000000010000000000000000000000000	31-01-078563
N1(CCN(CCN(Cc2nc([nH]n2)CN(CC1)CC)CC)CC)CC	PC-id_15048367	351.533	SEKOCPTWDORWKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078829
CCOC(=O)[C@@H]1CNC(=O)N=C1CSc1nnc2n1CCCCC2	CoCoCo_3854825	351.424	LSTORAUDCFSQRK-SNVBAGLBSA-N	00000000100011000101000000000010000000000000000000000000	31-01-078564
Cn1cccc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_44445549,ZINC22_82137741,PC-id_70767720,MCULE-7965478374	351.424	VXTVXQZWKFPVQS-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-078565
Cn1cccc1C(=O)NC[C@@H]1CN(S(=O)(=O)C)Cc2ccnn2C1	ZINC22_248127614	351.424	MHAHLPNAHYFZHD-GFCCVEGCSA-N	00000000110000000101000000000010000000000000000000000000	31-01-078566
Cn1cccc1C(=O)NC[C@H]1CN(S(=O)(=O)C)Cc2ccnn2C1	ZINC22_248127617	351.424	MHAHLPNAHYFZHD-LBPRGKRZSA-N	00000000110000000101000000000010000000000000000000000000	31-01-078567
Cn1cnc(S(=O)(=O)N2Cc3ccnn3C[C@@H](OCC3CC3)C2)c1	ZINC22_306144310	351.424	ZCCLPFKLXPAPRH-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-078568
Cn1cnc(S(=O)(=O)N2Cc3ccnn3C[C@H](OCC3CC3)C2)c1	ZINC22_306144311	351.424	ZCCLPFKLXPAPRH-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-078569
COc1ccc(c(c1C)C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026725	351.424	RRJWUYABCQETOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078570
COc1c(C)cc(cc1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026650	351.424	CMWWSJMQPFJHSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078571
COc1cc(C)c(cc1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026674	351.424	NGDBWEPKJIPXLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078572
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)NCCn1cccn1	MCULE-3831024720,EMOLS-id_317419357	351.424	OGROPXRBZVCXEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078573
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)c1c(C)nn(c1C)C	EMOLS-id_112056899	351.424	NDOPVSGTJNWZSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078574
s1c2CCCCCCc2nc1NC(=O)CCC1NNC(=O)NC1=O	PC-id_76051805	351.424	ZMUPBCRSXFITRA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078575
S=C1NC(CC(N1)C)CC(=O)N1CCCn2nc(cc2C1)C(=O)O	PC-id_75594734	351.424	LOAWIYRPKNKXJM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078576
Cc1cc(NCc2cc3CN(CCCn3n2)S(=O)(=O)C)nc(N)n1	ZINC22_82146283,MCULE-1655413656,PC-id_70773622,EMOLS-id_44447511	351.427	GVYURTNFHCESRF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-078577
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_306126912	351.427	FISXJOUGHIWCTP-GFCCVEGCSA-N	00000000100000100101000000000010000000000000000000000000	31-01-078578
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_306126913	351.427	FISXJOUGHIWCTP-LBPRGKRZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-078579
CN(C)S(=O)(=O)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50374711	351.427	FISXJOUGHIWCTP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-078580
c1c(ccc(c2-c1c(cc2/C=C
/C(=[NH+]CC[C@H]1O)C(=O)[O-])C)C)C(C)C	CMNPD29620	351.439	MOZCWBRWPVIUSL-WAGPWIPHSA-N	00000010100011000110000000000010000000000000000000000000	31-01-078581
c1c(ccc(c2-c1c(cc2/C=C
/C(=[NH+]CC[C@@H]1O)C(=O)[O-])C)C)C(C)C	CMNPD29621	351.439	MOZCWBRWPVIUSL-MVDPLZLPSA-N	00000010100011000110000000000010000000000000000000000000	31-01-078582
O=C(O)C1=NCCC(O)/C/1=C/c1cc(c2-c1c(ccc(c2)C(C)C)C)C	CNP0431595	351.439	MOZCWBRWPVIUSL-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-078583
c1(CC(=O)NCc2c3CCCCCc3[nH]n2)coc2cc(C)cc(C)c12	MCULE-3914729925,EMOLS-id_222785468,ZINC22_670466792	351.442	MHRQOOABIWBWPR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078584
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3ccc(CC)o3)C2)n1	MCULE-5700747421,EMOLS-id_50549881,PC-id_90653875	351.442	STOBHQXYSCUNHI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-078585
CCc1ccc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)o1	PC-id_100068033,ZINC22_221438111	351.442	STOBHQXYSCUNHI-NRFANRHFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-078586
CCc1ccc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)o1	ZINC22_221438047,PC-id_100068032	351.442	STOBHQXYSCUNHI-OAQYLSRUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-078587
CN(C)CCC1CN(Cc2cccn2C1)C(=O)c1cc2ccccc2o1	EMOLS-id_313838371	351.442	OMSYOHJPONGJOT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078588
CN(C)CC[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cccn2C1	ZINC22_585095303	351.442	OMSYOHJPONGJOT-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078589
CN(C)CC[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cccn2C1	ZINC22_585095304	351.442	OMSYOHJPONGJOT-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078590
O=C(Cc1ccccc1)N1CCc2ccc(C(=O)NCC3CC3)n2CC1	EMOLS-id_313774529,ZINC22_585110984	351.442	OINXYDAHVOPGDQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-078591
O=C(NC1CC1)C(=O)NN=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_84988271	351.442	KHQLWTTWZQSRNQ-UHFFFAOYSA-N	00100010100000000110000000000010000000000000000000000000	31-01-078592
c12CN(CCCn1nc(CNC(=O)COCCCC)c2)C(=O)N(C)C	MCULE-5832584077,PC-id_70748623,EMOLS-id_44438921,ZINC22_82120570	351.444	WNAUFUORLJRGCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078593
c1(C(=O)N2C[C@@H]([C@H](CN(C)CCO)C2)CO)nnc2CCCCCn12	EMOLS-id_46040253,ZINC22_91444463,PC-id_72858662,MCULE-4873691709	351.444	HPRFSWBKDBLCKT-ZIAGYGMSSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078594
Cc1cc(c(cc1)C)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625599	351.444	PQTQIWHHVXQCQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078595
Cc1cc(ccc1)CS(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625643	351.444	CRVNOJDWCHWZNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078596
Cc1ccc(cc1)CS(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625675	351.444	YSHNMHDLTFFKRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078597
Cc1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)sc(n2)C(=O)N	PC-id_68586675,SCHEMBL3300012	351.444	OPFQYSWPLQNUQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078598
Cc1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)sc(n2)NC=O	PC-id_87507282,SCHEMBL3300010	351.444	AGGLHXSEIHIBMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078599
Cc1cc(c(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2)C	PC-id_90625598	351.444	MWAKUYFJIFESMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078600
Cc1c(cc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2)C	PC-id_90625600	351.444	DHNVNVVZUCSAKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078601
CCc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625638	351.444	AEMNQMIAONCLBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078602
CC(C)NC(=O)c1nnc2n1CCN(C(=O)OC(C)(C)C)C(C)(C)C2	MCULE-8813644634,ZINC22_865214628,EMOLS-id_313166404	351.444	CNXRHJVIZQHLRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078603
CC(CO)N1CCCN(CC1)C(=O)Cn1c(=O)n2CCCCCc2n1	PC-id_86818659	351.444	JINZYWSJGNCORN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078604
CN(C)CCOCc1nnn2c1CN(C(=O)C1CCOCC1)CCC2	EMOLS-id_46181709,ZINC22_96084350,PC-id_97405177	351.444	JLLLRHZWHYIIBT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078605
COc1cc(CN(C)C(=O)c2cc3c(s2)CCCNC3=O)sn1	ZINC22_1875295559	351.444	JQXPUKDKBRXYRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078606
COC1CN(C(C1)(C)CO)C(=O)NCCc1nnc2n1CCCCC2	MCULE-1533001971,EMOLS-id_316440398	351.444	OZQZAOPDPMDFQY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078607
COCCCNC(=O)N(C)C1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-7547221197,EMOLS-id_168607908	351.444	JXEVMODYSIMWCO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-078608
COCCNC(=O)c1cnn2c1CN(C(=O)CN(C)C(C)C)CCC2	EMOLS-id_313738997,ZINC22_1565550967	351.444	IMJHFGLKVUMYOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078609
O(C(C)(C)C)C(=O)NCCC(=O)NCCc1n2CCCCCc2nn1	PC-id_60389562	351.444	JXNVKTMIFYNGLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078610
OC[C@@H](N1CCCN(CC1)C(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_99778754	351.444	JINZYWSJGNCORN-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078611
OC[C@H](N1CCCN(CC1)C(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_99778755	351.444	JINZYWSJGNCORN-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078612
O=C(N1CCCCc2c1ccs2)CNS(=O)(=O)c1cccnc1	EMOLS-id_318196348	351.444	IFNXJHKKBQMQAB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-078613
O=C(NS(=O)(=O)c1cnccn1)c1cc2c(s1)CCCCCC2	ZINC22_152400685,MCULE-3794875218,PC-id_99696627,EMOLS-id_50334739	351.444	XUMFDXPTSVRXTK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-078614
s1c2c(CCCCC2)c(c1NC(=S)Nc1nocc1)C(=O)OC	PC-id_17270022	351.444	XTVXVACBCSBABX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078615
c1(CN(C)C(=O)CCc2[nH]c3c(cccc3)n2)c2CCCCCc2[nH]n1	PC-id_90648722,ZINC22_219235599,EMOLS-id_50530883,MCULE-5332045176	351.445	FPIBNUOBPAOWNB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078616
c1(CN(C)C(=O)CCn2c3ccccc3nc2)c2CCCCCc2[nH]n1	EMOLS-id_68907407,ZINC22_299781588,MCULE-7634830455,PC-id_118778587	351.445	MECMHHAMIDZRCU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078617
c1(c[nH]nc1c1cc(C)ccc1C)CN1CCCn2nc(CO)cc2C1	MCULE-9061967618,ZINC22_220717262,PC-id_90650870,EMOLS-id_50538795	351.445	JAOZNTBAMHUKFP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078618
c1(C(O)C2CC2)cc2n(CCCN(CCn3c4ccccc4nc3)C2)n1	MCULE-8895664717,EMOLS-id_55673947,PC-id_91784864	351.445	NLYUGJIDGLIRTQ-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-078619
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3cn(nc3C)C)C2)n1	MCULE-1946185653,EMOLS-id_50545765,PC-id_90652767	351.445	GEHOTKAZNNBBNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078620
c1(C(O)c2ccnn2C)cc2n(CCCN(CCc3ccccc3)C2)n1	PC-id_91785744,MCULE-1964570484,EMOLS-id_55676409	351.445	WSNGENOLZJGQOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078621
c1(C(=O)Nc2ccc3c(c2)nc(n3C)C(C)C)c2CCCCCc2[nH]n1	MCULE-1239437473,EMOLS-id_323252154	351.445	JJCIOJYTMQQHPF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078622
CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCCCC2	ZINC22_4611835,CoCoCo_5815776,PC-id_7302535	351.46	PVFMLMPJVNZFDG-ZDUSSCGKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078702
c1(C(=O)Nc2ccc3c(c2)nc([nH]3)CC(C)C)c2CCCCCc2[nH]n1	EMOLS-id_323253180,EMOLS-id_323252156,MCULE-5073710696	351.445	FOYUUXPQARFYQL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078623
c1(C(=O)NCc2nc3c(cccc3)n2C(C)C)c2CCCCCc2n[nH]1	PC-id_75357031,MCULE-7104108196,EMOLS-id_50400776,EMOLS-id_49249133,ZINC22_96232123,STOCK7S-47356	351.445	DITLUHOKZYEURV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078624
c1(C(=O)NCc2nnc3CCCCCn23)c(C)c2c(c(C)cc(C)c2)[nH]1	ZINC22_67743247,EMOLS-id_32410100,MCULE-1340416776,PC-id_50970298	351.445	VKJFTKBEGRNQNN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078625
c1(C(=O)NCCCc2n(C)c3c(cccc3)n2)c2CCCCCc2n[nH]1	PC-id_75356612,ZINC22_96230797,EMOLS-id_50400178,MCULE-9075029564,STOCK7S-46177,EMOLS-id_49246844	351.445	YEVIWYPOELUVES-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078626
c1(C(=O)NC(C(C)C)c2[nH]c3c(cccc3)n2)c2CCCCCc2n[nH]1	MCULE-2724672412,EMOLS-id_301022271,EMOLS-id_50404280,PC-id_75357101	351.445	TWXRPAGJRBXLBJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078627
c1(C(=O)NCCn2c3ccccc3cc2C)cc2n(CCCN(C)C2)n1	PC-id_50970635,MCULE-3530346326,ZINC22_65430958,EMOLS-id_32410746	351.445	NBHWIHAVVYAZJH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078628
c1(C(=O)N[C@@H](C(C)C)c2[nH]c3c(cccc3)n2)c2CCCCCc2[nH]n1	STOCK7S-45703,PC-id_75488980,MCULE-2103134321,ZINC22_96223642,EMOLS-id_49245940	351.445	TWXRPAGJRBXLBJ-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078629
c1(C(=O)N)cn2c(CCN(C(C)CCc3c4ccccc4[nH]c3)CC2)n1	EMOLS-id_336480443,MCULE-7020821892	351.445	UTMYNRCHOVSVPA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078630
Cc1cc2ccccc2n1CCC(=O)NCc1cc2CNCCCn2n1	ZINC22_82136916,EMOLS-id_44444433,MCULE-9692543200,PC-id_70764670	351.445	ZEFAUPPEFIUKJQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078631
Cc1ccc(C)c2c1cc(C(=O)NCc1nnc3n1CCCCC3)n2C	EMOLS-id_30448275,CoCoCo_505006,MCULE-2143378443,PC-id_46976546,SYN-22884422,ZINC22_19714616	351.445	IAIFMDXINMTGOA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078632
Cc1cc(CN2Cc3cccn3C[C@@H](CCNc3ccccn3)C2)no1	ZINC22_585095467	351.445	SFJTVFVWUYGHLM-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078633
Cc1cc(CN2Cc3cccn3C[C@H](CCNc3ccccn3)C2)no1	ZINC22_585095471	351.445	SFJTVFVWUYGHLM-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078634
Cc1cc(CN2CC(CCNc3ccccn3)Cn3cccc3C2)no1	EMOLS-id_313837857	351.445	SFJTVFVWUYGHLM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078635
Cc1nc2ccccc2n1CCC(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_584893511,MCULE-8879199733,EMOLS-id_177429870	351.445	PFHUUDICJTXBHE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078636
Cc1[nH]c2c(C(=O)NCCc3nnc4n3CCCCC4)cccc2c1C	EMOLS-id_33345658,PC-id_51113462,MCULE-3493234582,ZINC22_45310582	351.445	VDZCFCKOBJJULE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078637
Cc1nnc2CCC(CCn12)NC(=O)CCCc1c[nH]c2ccccc12	MCULE-8418692283,EMOLS-id_50590177,PC-id_91910720	351.445	LGKFIMWJKNNWPZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078638
Cc1nnc2n1CCC(CC2)N(C)C(=O)CCc1c[nH]c2ccccc12	PC-id_91922624	351.445	BAPJYSYVESWDNH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078639
Cc1nn(C)cc1CN1CCCn2nc([C@H](O)c3ccccc3)cc2C1	PC-id_100067120,ZINC22_221335907	351.445	GEHOTKAZNNBBNC-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078640
Cc1nn(C)cc1CN1CCCn2nc([C@@H](O)c3ccccc3)cc2C1	PC-id_100067121,ZINC22_221335961	351.445	GEHOTKAZNNBBNC-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078641
CC(c1nn2c(c1)CN(CCC2)Cc1cccc(c1)Cn1cccn1)O	PC-id_91778761,MCULE-4217951371,EMOLS-id_55656166	351.445	ZWOGRWALUXXLME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078642
CC(C)c1cc(CN2CCc3nnc(Cc4ccccc4)n3CC2)on1	EMOLS-id_55678129,ZINC22_244874379,PC-id_91839291,MCULE-7897725942	351.445	XAFYTYKNVYGORT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078643
CC(C)[C@@H](NC(=O)c1n[nH]c2c1CCCCC2)c1nc2ccccc2[nH]1	ZINC22_206254115,PC-id_99871434	351.445	TWXRPAGJRBXLBJ-QGZVFWFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078644
CC(Cn1ccc2c1ccc(c2)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319628483	351.445	UWPGKFSYOMMYHT-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078645
CC(C)n1cc(CN2Cc3cccn3C[C@@H](Oc3cccnc3)C2)cn1	ZINC22_306140197	351.445	UMPHULCCTFTXLJ-FQEVSTJZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078646
CC(C)n1cc(CN2Cc3cccn3C[C@H](Oc3cccnc3)C2)cn1	ZINC22_306140198	351.445	UMPHULCCTFTXLJ-HXUWFJFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078647
CC(C)n1cc(CN2CC(Cn3cccc3C2)Oc2cccnc2)cn1	EMOLS-id_50020130	351.445	UMPHULCCTFTXLJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078648
CC(C)N(C)Cc1ncn2c1CN(C(=O)c1ccc(C#N)cc1)CCC2	PC-id_97519317,ZINC22_96259233,EMOLS-id_44370012	351.445	MHWJAGSZWNWESS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078649
C[C@H](c1nn2c(c1)CN(CCC2)Cc1cccc(c1)Cn1cccn1)O	PC-id_100058752	351.445	ZWOGRWALUXXLME-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078650
C[C@@H](c1nn2c(c1)CN(CCC2)Cc1cccc(c1)Cn1cccn1)O	PC-id_100058753	351.445	ZWOGRWALUXXLME-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078651
C[C@H](c1nn2c(c1)CN(CCC2)Cc1ccccc1Cn1cccn1)O	PC-id_99996650	351.445	MGISZEWFQBELSI-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078652
C[C@@H](c1nn2c(c1)CN(CCC2)Cc1ccccc1Cn1cccn1)O	PC-id_99996653	351.445	MGISZEWFQBELSI-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078653
C[C@H](c1nn2c(c1)CN(CCC2)Cc1nccn1Cc1ccccc1)O	PC-id_99976073	351.445	JLGCLDZZFOVBPJ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078654
C[C@@H](c1nn2c(c1)CN(CCC2)Cc1nccn1Cc1ccccc1)O	PC-id_99976075	351.445	JLGCLDZZFOVBPJ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078655
C[C@@H](CCc1c[nH]c2ccccc12)N1CCc2nc(C(=O)N)cn2CC1	ZINC22_1940195895	351.445	UTMYNRCHOVSVPA-AWEZNQCLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078656
C[C@H](CCc1c[nH]c2ccccc12)N1CCc2nc(C(=O)N)cn2CC1	ZINC22_1940195896	351.445	UTMYNRCHOVSVPA-CQSZACIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078657
CC(O)c1cc2CN(Cc3ccccc3Cn3cccn3)CCCn2n1	EMOLS-id_55707066,PC-id_91796181,MCULE-1824196126	351.445	MGISZEWFQBELSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078658
CC(O)c1cc2CN(Cc3nccn3Cc3ccccc3)CCCn2n1	MCULE-1932525770,EMOLS-id_55657582,PC-id_91779240	351.445	JLGCLDZZFOVBPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078659
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(CCc1ccccc1)C2	PC-id_100129003,ZINC22_222686522	351.445	WSNGENOLZJGQOA-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078660
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(CCc1ccccc1)C2	ZINC22_222686458,PC-id_100128992	351.445	WSNGENOLZJGQOA-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078661
n12CCN(CCc1nnc2CNC(=O)C1CC1)CC=Cc1ccccc1	MCULE-3505288134,PC-id_74494165	351.445	PZALONUCVKXAMR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-078662
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)[C@H]1C[C@@H]2N[C@H]1CC2	ZINC22_2356165967,EMOLS-id_337822836,MCULE-5967589927	351.445	LZBNSHAELBCGJS-IKGGRYGDSA-N	00000010100010110101000000000110000000000000000000000000	31-01-078663
N#Cc1cccc(c1)C(=O)N1CCCn2c(C1)c(nc2)CN(C(C)C)C	PC-id_97519305	351.445	LVUUWWPIIJLLIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078664
O=C(C1CC1)NCc1nnc2n1CCN(CC2)C/C=Cc1ccccc1	CoCoCo_1205514,CoCoCo_1205516	351.445	PZALONUCVKXAMR-DAXSKMNVSA-N	00100000100000110101000000000010000000000000000000000000	31-01-078665
O=C(C1=CC=C(CC1)NC1=c2c(C)n[nH]c2=CCC=N1)NC1CCCC1	PC-id_144055262	351.445	KMGPXWGYQVJACX-UHFFFAOYSA-N	00000010100011000111000000000010000000000000000000000000	31-01-078666
O=C(C1CCn2c(CC1)nnc2)N[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1ccccc1	MCULE-6318234932,EMOLS-id_320321689	351.445	SLIPPRKDNKPOQC-VVXSQCBMSA-N	00100010100000110101010000000010000000000000000000000000	31-01-078667
O=C(CCc1c[nH]c2ccccc12)NCCc1nnc2n1CCCCC2	EMOLS-id_31363331,MCULE-5748357154,PC-id_47016866,ZINC22_54450943	351.445	RMJWNHUIMVXMMH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078668
O=C(CCCc1c[nH]c2ccccc12)NCc1nnc2n1CCCCC2	EMOLS-id_29977269,MCULE-7638960534,ZINC22_22701133,CoCoCo_4336646,PC-id_30547183	351.445	DVLDVOXQAHQPBL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078669
O=C(CCn1ccc2ccccc12)NCCc1nnc2n1CCCCC2	EMOLS-id_30739090,ZINC22_48354645,PC-id_47016876,MCULE-7113243156	351.445	HHMOAVOBNNPUCK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078670
OC/C(=NNC(c1nc2c([nH]1)CC=CC(=C2)CN)C)/c1ccc(cc1)C	PC-id_143898602	351.445	HYGIAMDENIZAHF-NCELDCMTSA-N	00000000100000110111000000000010000000000000000000000000	31-01-078671
O[C@@H](c1cc2n(n1)CCCN(CCn1cnc3ccccc13)C2)C1CC1	PC-id_100112990,ZINC22_222584597	351.445	NLYUGJIDGLIRTQ-HXUWFJFHSA-N	00100000100000100101000001000010000000000000000000000000	31-01-078672
O[C@H](c1cc2n(n1)CCCN(CCn1cnc3ccccc13)C2)C1CC1	ZINC22_222584650,PC-id_100113001	351.445	NLYUGJIDGLIRTQ-FQEVSTJZSA-N	00100000100000100101000001000010000000000000000000000000	31-01-078673
O=C(NC(c1n2CCCCCc2nn1)C)CCc1c2c([nH]c1)cccc2	PC-id_42930625	351.445	CUCCVTBJTPMJQC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078674
O=C(NCc1nnc2CCN(C/C=C/c3ccccc3)CCn12)C1CC1	PC-id_26278775,CoCoCo_1205515,ZINC22_14882863,CoCoCo_1205517,EMOLS-id_44851691	351.445	PZALONUCVKXAMR-QPJJXVBHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-078675
O=C(NCCc1n2CCCCCc2nn1)c1n(c2c(c1)cccc2)CC	PC-id_52717132	351.445	YDTXTGHZBZOUHB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078676
O=C(NCCc1n2CCCCCc2nn1)Cn1c2c(cc1C)cccc2	PC-id_51304522	351.445	DHDVAXLNLQJQJX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078677
O=C(N[C@H](c1nnc2n1CCCCC2)C)CCc1c[nH]c2c1cccc2	CoCoCo_4480656	351.445	CUCCVTBJTPMJQC-AWEZNQCLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078678
O=C(N[C@@H](c1nnc2n1CCCCC2)C)CCc1c[nH]c2c1cccc2	CoCoCo_4480657	351.445	CUCCVTBJTPMJQC-CQSZACIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078679
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@@H](CNS(=O)(=O)C)C1	ZINC22_306142819	351.446	XKSKBFPOPKLDMN-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-078680
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@H](CNS(=O)(=O)C)C1	ZINC22_306142820	351.446	XKSKBFPOPKLDMN-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078681
CC1CN(CCN1CC(O)(C)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168841	351.447	ZMZUKRIPHMLDNV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078682
CC1CN(CCN1C(=O)NC1CCn2c(CC1)nnn2)CC(O)(C)C	EMOLS-id_102168838	351.447	FCDRGAHSXAIPLT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078683
C[C@@H]1O[C@H](C)CN(C1)CCN(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102168964	351.447	HCRDTKMDYDCDRM-PBWFPOADSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078684
CN(C(=O)NC1CCn2c(CC1)nnn2)CCN1CCOC(C1)(C)C	EMOLS-id_102168967	351.447	SKTMTRXNLDVNNI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078685
COCC(N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2)(C)C	EMOLS-id_102217012	351.447	HRKDNMAYURYXGV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078686
NC(=O)c1ccsc1NC(=O)CSc1nnc2n1CCCCC2	MCULE-1233157299,CoCoCo_3081638,EMOLS-id_11744397,PC-id_9268279,ZINC22_8133315	351.447	DWVLYWOVVIZHQP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-078687
O=C(NC1CCn2c(CC1)nnn2)NCC(N1CCOCC1)C(C)C	EMOLS-id_102166570	351.447	QCMVENMFVHSZGZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078688
s1c2c(CCCCC2)c(c1NC(=S)Nn1cnnc1)C(=O)OC	PC-id_19687047	351.447	ZEOXWDOHTHRNST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078689
c1(c2ccnc(NCc3c4CCCCCc4[nH]n3)n2)c(C)n(nc1C)C	MCULE-1532991184,PC-id_28097195,CoCoCo_1391889,EMOLS-id_23819470,ZINC22_19218449,CoCoCo_1391890	351.449	GIUUZMXHCMTRPS-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-078690
CCCn1ccnc1CN1CCc2nnc(Cc3cccnc3)n2CC1	MCULE-6410759625,EMOLS-id_43083175,ZINC22_72135272,PC-id_56888453	351.449	HXLZPQREJRBRPB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078691
n12CCCCCc1nnc2CCNCc1c(nn(c1)C)c1cccnc1	PC-id_56436662	351.449	YRWHJZSQINATSH-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-078692
c1(c2CCCCCc2sc1NC(=O)C1CCCO1)C(=O)OC(C)C	PC-id_2930696,EMOLS-id_2195070,TIMTEC479278,MCULE-3839033333	351.46	UKHYJVXDHGOCSS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078693
c1(NC(=O)C2CCCO2)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_3677341,MCULE-6501521456,SPECS-id_AK-968/11987441,TIMTEC143017,EMOLS-id_4029891	351.46	FFFOCWRUXPYALU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078694
c1(NC(=O)C2CCCO2)sc2c(CCCCCC2)c1C(=O)OCC	SPECS-id_AK-968/11987319,EMOLS-id_4029895,TIMTEC390379,MCULE-1629616739,PC-id_4406747	351.46	PVFMLMPJVNZFDG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078695
CCCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCCC2	PC-id_1741140,CoCoCo_6791393,ZINC22_2081871	351.46	FFFOCWRUXPYALU-CYBMUJFWSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078696
CCCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCCC2	PC-id_1741141,CoCoCo_6791394,ZINC22_2081872	351.46	FFFOCWRUXPYALU-ZDUSSCGKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078697
CC(C)OC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCCC2	ZINC22_4891973,PC-id_7405109,CoCoCo_895176	351.46	UKHYJVXDHGOCSS-ZDUSSCGKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078698
CC(C)OC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCCC2	ZINC22_4891975,PC-id_7405110,CoCoCo_895175	351.46	UKHYJVXDHGOCSS-CYBMUJFWSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078699
CCNC(=O)C(=O)c1sc2c(c1C(=O)OC(C)(C)C)CCCCC2	PC-id_68933747,SCHEMBL4153159	351.46	KGWCKFAUJTWYJO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078700
CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCCCC2	ZINC22_2081845,PC-id_1741122,CoCoCo_5815775	351.46	PVFMLMPJVNZFDG-CYBMUJFWSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078701
COC1CC(N(C1)C(=O)c1sc2c(c1)CCCCCC2)CC(=O)O	PC-id_121964830	351.46	RBVYSLWMRIIWAM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078703
COCC1(CCCN(C1)C(=O)c1cc2c(s1)CCCCC2)C(=O)O	MCULE-3109561974,EMOLS-id_72491326,PC-id_121889613	351.46	LSFYRBQQXNJHBD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-078704
COCC1(CCN(C1)C(=O)c1sc2c(c1)CCCCCC2)C(=O)O	MCULE-9101283467,EMOLS-id_71469933,PC-id_121650533	351.46	CSDFSQDAHQYODZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078705
COC(=O)C1C(O)CCCN1C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_111938104	351.46	PHGYUXIDZKEYBZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-078706
O=C(c1sc2c(c1)CCCCCC2)NC(C1CCCOC1)C(=O)O	PC-id_120547654	351.46	CCCWIJXBLIIYMZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-078707
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s1c2c(CCCCC2)c(c1NC(=O)C(OCCC=C)C)C(=O)OC	PC-id_56137587	351.46	KEUMINQOCPWITR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078714
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CC(Cn1nc(c(c1C)S(=O)(=O)N1CCCc2c(C1)cco2)C)C	EMOLS-id_99300568	351.464	RDIZDTCLKBKMMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078721
CCOC(=O)C1CCCN(C1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_50304761,MCULE-6040465508,PC-id_102556073	351.464	AGEBYBCPHVPTEC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078722
CCOC(=O)[C@@H]1CCCN(C(=O)Nc2nc3c(s2)CCCCC3)C1	ZINC22_43606116,PC-id_93962425	351.464	AGEBYBCPHVPTEC-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078723
CCOC(=O)[C@H]1CCCN(C(=O)Nc2nc3c(s2)CCCCC3)C1	ZINC22_43606118,PC-id_93962426	351.464	AGEBYBCPHVPTEC-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078724
CCOC(=O)N1CCC(C(=O)Nc2nc3c(s2)CCCCC3)CC1	PC-id_29859377,EMOLS-id_30242436,MCULE-4633549673,ZINC22_21902158	351.464	JWAUNLIPGJJXQE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078725
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COC(=O)C1CCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111889976	351.464	DBHDXZOJFZNXHR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078727
COC(=O)C1(C)CCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890165	351.464	HOHLAKPWGNSNJB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078728
COC(=O)C1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890081	351.464	XMMHODSDGHSVRA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078729
COC(=O)c1c(NC(=O)N2CCN(C)CC2)sc2c1CCCCC2	CHEMBL4536324	351.464	DDGDYWCMNRDOKN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078730
COC(=O)NC[C@@H]1CCCN1C(=O)c1cc2c(s1)CCN(CC2)C	PC-id_145481298	351.464	ZXPZJNDZFSMGJG-ZDUSSCGKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-078731
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s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)C(C)(C)C	PC-id_31846146	351.464	LSFJTEGTJKUHKP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078736
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)C(CC)C	PC-id_55929952	351.464	VIYMEMPAJGQPFF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078737
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c1(sc2c(CCCCC2)n1)NC(=O)[C@H](c1ccccc1)n1cccc1	MCULE-4643678993,EMOLS-id_323228757	351.465	ZAITYZCKHFGBLT-SFHVURJKSA-N	00000000110000110101000000000010000000000000000000000000	31-01-078739
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s1c2CCCCCc2cc1C(=O)NCc1c(n2nccc2)cccc1	PC-id_56156332	351.465	JYCFBJAADPMAHZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078745
S(c1n2CCCCCc2nn1)Cc1c(Oc2ccccc2)cccc1	PC-id_7876595	351.465	ZWHYSCQHVMZCFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078746
CCC(NC(=O)C1CSCN1C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_278135229	351.467	VCXDUKYUVLGEGG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078747
CCN(C(=O)C1CSCN1C(=O)C1CCn2c(CC1)nnc2)CC	MCULE-3890055132,EMOLS-id_257965264	351.467	LZEDGRDDZSDZQQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078748
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Cn1cc(CN2CC(CCNS(=O)(=O)C)Cn3cccc3C2)cn1	EMOLS-id_313837347	351.467	XCDMIRLCNYIOJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078752
CN(C1=Nc2sc(nc2CC=C1)N)CCN(C(=O)OC(C)(C)C)C	PC-id_143392519	351.467	SFHRJBNIYAUWGA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-078753
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COC/C(=C(c1nc2c(s1)C=NC=CC2)/SC)/NC=NCCN	PC-id_143509030	351.49	KWUZJOIZOBSDAG-OWBHPGMISA-N	00000000100000000111000000000010000000000000000000000000	31-01-078778
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s1c2c(CCCCCC2)c(c1NC(=O)CCCCCC)C(=O)OC	PC-id_3368509	351.503	WLDDFHOEANWXMS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078791
s1c2c(CCCCCC2)c(c1NC(=O)CCCCC)C(=O)OCC	PC-id_3552174	351.503	PCNDDHGJBTWDRF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078792
s1c2c(CCCCCC2)c(c1NC(=O)C(CC)CC)C(=O)OCC	PC-id_4453643	351.503	PYRDXVPKZCJHND-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078793
s1c2c(CCCCCCCCCC2)c(c1NC(=O)C(C)C)C(=O)O	PC-id_4125760	351.503	RSOGXOSWCIBNPY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078794
c1(NC(=O)CCC(=O)N(CCC)CCC)sc2c(CCCCC2)n1	EMOLS-id_334702513,MCULE-8207246568	351.507	HMKJGWMVDFUXIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078795
c1(NC(=O)CCC(=O)N(CCCC)CC)sc2c(CCCCC2)n1	EMOLS-id_334711475,MCULE-7077049969	351.507	VOLOMURMGAKKNH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078796
c1(NC(=O)CCC(=O)NCCCCCC)sc2c(CCCCC2)n1	EMOLS-id_334903009,MCULE-1592303246	351.507	WXORKSJUPIJUAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078797
CC1(Cc2c(CN(C1)C(=O)CSCC1CCCCO1)cnn2C)C	EMOLS-id_316876525,MCULE-1584703655,PC-id_136552873	351.507	PUZUTVSPCUTLCC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078798
CCC1(CO)CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101074423	351.507	HNUZCFWRCSYMSO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078799
CCCC1(CO)CCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99362404	351.507	ZMPWKCARYSFZDQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078800
CC(C(N1CCOCC1)CNC(=O)N1CCCc2c(C1)ccs2)C	EMOLS-id_318039558	351.507	METBQRYDOSLOMQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078801
CCCOC1CCCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98772299	351.507	HOFFUIHSEZFLGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078802
CCOC1CC(C1(C)C)(N)C(=O)Nc1sc2c(n1)CCCCCC2	PC-id_120450934,MCULE-4652766973,EMOLS-id_302312126	351.507	AHOSOLDKNKSHMW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-078803
CCOC1(C)CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101432151	351.507	YJNIDZXTKOLNGJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078804
CCOCC1CCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103674	351.507	LNOLHNFHIXLOKF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078805
Cn1ncc2c1CC(C)(C)CN(C(=O)CSC[C@H]1CCCCO1)C2	ZINC22_596009154	351.507	PUZUTVSPCUTLCC-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078807
COC1CCC(CC1)N(C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_101103662	351.507	AOKMVORKMDZGDQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078808
COC1(C)CCCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101106549	351.507	SZMPVKYEOJQNFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078809
COC1CCN(CC1(C)C)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101432070	351.507	BLMOXDXQEXJTHL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078810
COCC1(C)CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101101109	351.507	IOWXUYOIUMMWHZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078811
OC1CCN(CC(C1)(C)C)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101430735	351.507	BVPUZTIYGFBVAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078812
OCC1CCC(CC1)N(C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_101106645	351.507	KXIFZFPPXWVOFT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078813
OCCC1CCCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_102008652	351.507	NDFVDXDDKPBRHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078814
O=C(Nc1nc2c(s1)CCCCC2)NCCCOC1CCCCC1	PC-id_112825144	351.507	AERYRPDRIKDCSK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078815
s1c2CCCCCCc2nc1NC(=O)CCCC(=O)N(CC)CC	PC-id_56385521	351.507	BYOJUKORUYIQGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078816
c1(NC(=O)CSC2=NCCS2)sc2c(CCCCC2)c1C#N	ZINC22_6780660,PC-id_5227251,MCULE-7886857053,CoCoCo_6827339,TIMTEC233977,EMOLS-id_4030009	351.51	JCYGEVJILCSRDA-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-078817
CC1CSCCN(C1)C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_111660131	351.51	ZDNCQKOKYHOPLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078818
CC1SCCN(CC1)C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_111704904	351.51	CFDQKQYILNHVFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078819
CCC(c1nnc2n1CCCCC2)NC(=O)NCC1(C)CCCS1	EMOLS-id_99873014	351.51	ZIMYYLMCWOSHJG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-078820
C=CCSc1nnc(NC(=O)c2cc3c(s2)CCCCC3)s1	PC-id_2526325,EMOLS-id_3357274,ZINC22_3407507,MCULE-4624174300,CoCoCo_3222744	351.51	AASYQHWOTFBHQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078821
CN1CCN(CC1)CC(NC(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_98731492	351.51	BLYLGNJJHLRQRZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078822
O=C(Nc1sc2c(n1)CCCCCC2)NCC1CN(C)CCN1C	EMOLS-id_101103986	351.51	MEWMEFWCMMJGFR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-078823
COCC[N@@H+]1CCCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	GD-id_ZINC48425998	351.527	XLTGLOCTCFUNTO-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-078824
CC(c1nnc2n1CCCCCC2)(c1ccc(cc1)C1CCCCC1)C	PC-id_10043555,SCHEMBL4530537	351.528	SZPYZJJLFPODJS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-078825
CC(C)c1ccc([C@H]2CCCCN2Cc2cn3c(n2)CCCCC3)cc1	ZINC22_1875357728	351.528	USBDGFAOONSCRA-JOCHJYFZSA-N	00000000100010110101100000000010000000000000000000000000	31-01-078826
CC(C)c1ccc([C@@H]2CCCCN2Cc2cn3c(n2)CCCCC3)cc1	ZINC22_1875357729	351.528	USBDGFAOONSCRA-QFIPXVFZSA-N	00000000100010110101100000000010000000000000000000000000	31-01-078827
s1c2CCCCCCCCCCc2nc1NC(=O)CN(CC)CC	PC-id_30376669	351.55	LFGYFGVGHMUCDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078831
NCCCC[C@H]1CN(CC(C)C)c2c(C(=S)N1)nn(c2)CC(C)C	BindingDB_PC-id_46236234,PC-id_46236234,SCHEMBL3468409,TT-id_D0GR1X	351.553	SRDGVWFRHBVJPL-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078832
S=C1NC(CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCN	PC-id_75181522	351.553	SRDGVWFRHBVJPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078833
c1(C(=O)NCCCSC2CCCCC2)csc2CCCCCc12	CoCoCo_2171612,PC-id_20881889,EMOLS-id_16062887,MCULE-6723063132	351.57	RBAWUUOGNRKCRD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-078834
C=CC1=C(C)Cn2c(CN1P)ccc2C(=O)C(Cl)(Cl)Cl	PC-id_143371430	351.596	DEYJUNZDNIDDIO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-078835
ClC(Cl)(Cl)C(=O)Nc1sc2CCCCCCc2c1C#N	PC-id_5112079	351.679	MZJLMXDAGMTRNN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078836
ClC(c1sc2c(CCCCC2)c1)c1cc(Cl)sc1Cl	PC-id_63436208	351.742	IZQAQJPVAHVYFU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-078837
C1Cn2cc(nc2OCCN1C(=O)Nc1ccc(cc1)Cl)[N+](=O)[O-]	PC-id_89580295,SCHEMBL14965955	351.745	WNXWIFUPSJBKNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078838
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(c(F)c1)Cl	PC-id_56914248,EMOLS-id_43171984,MCULE-5478966552,ZINC22_72478057	351.803	GCZIUIMNLNWHKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078839
C[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1c(F)cccc1Cl)C2	PC-id_100066228,ZINC22_221236716	351.803	UOJBJAWQOMUTPC-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-078840
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1c(F)cccc1Cl)C2	PC-id_100066229,ZINC22_221236769	351.803	UOJBJAWQOMUTPC-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078841
CC(O)c1cc2CN(CCCn2n1)C(=O)Cc1c(F)cccc1Cl	PC-id_90651763,MCULE-8601093201,EMOLS-id_50542109	351.803	UOJBJAWQOMUTPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078842
c1(C(C)NC(=O)c2c(F)ccc(C)c2Cl)nnc2CCNCCn12	MCULE-9373821733,PC-id_56717329,EMOLS-id_36455021	351.806	ILEXARLGGPDSBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078843
Cc1ccc(F)c(C(=O)N[C@H](C)c2nnc3n2CCNCC3)c1Cl	PC-id_95217886,ZINC22_67850351	351.806	ILEXARLGGPDSBD-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078844
Cc1ccc(F)c(C(=O)N[C@@H](C)c2nnc3n2CCNCC3)c1Cl	ZINC22_67850349,PC-id_95217885	351.806	ILEXARLGGPDSBD-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-078845
Cc1ccc(NC(=O)NCc2nnc3n2CCCCC3)c(F)c1Cl	ZINC22_1875252872	351.806	WMEUHFHDNQBWCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078846
CC(=O)NCc1nnc2n1CCN(CC2)Cc1c(F)cccc1Cl	CoCoCo_1367700,PC-id_31016303,CoCoCo_1367701	351.806	GYISTPMFNKSXOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078847
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)COc1ccc(cc1)Cl	PC-id_90625376	351.808	GOTNKCKYJBMEQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078848
COc1c(cc(cc1)Cl)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625355	351.808	SAMFHFFLIBXFFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078849
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Cl)cc1[N+](=O)[O-]	PC-id_17516448,CoCoCo_4546030,EMOLS-id_16723894,MCULE-5799208002,ZINC22_12828268	351.808	WKSWYYVVMLJCAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078850
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Cl)c([N+](=O)[O-])c1	MCULE-9502104416,ZINC22_12765812,EMOLS-id_16750314,PC-id_17525590,CoCoCo_4546016	351.808	FPIDXNXWRLEVNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078851
O=C(Nc1nc2c(s1)CCCCC2)c1ccc([N+](=O)[O-])cc1Cl	MCULE-2943412451,CoCoCo_4546056,ZINC22_12755404,PC-id_17524100,EMOLS-id_16745490	351.808	PBODGHKZSOQFSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078852
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1nc2CCCCCc2s1	MCULE-2059657760,EMOLS-id_334603133	351.808	SLRWBNZKGHRCQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078853
O=C(c1cc(c2ccccc2)ccc1Cl)N1CCCc2occc2C1	ZINC22_2325825078	351.826	CRDLKMIYQDDTSV-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-078854
c12CN(CCCn1nc(CO)c2)Cc1cc(Cl)cc(OC)c1OC	EMOLS-id_50528489,PC-id_90648065,MCULE-7417678076	351.828	SMKCALDLEQYTNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078855
c1(CN2CCCn3c(cc(n3)C(=O)OC)C2)c(CC)nn(C)c1Cl	ZINC22_65489244,EMOLS-id_32423610,PC-id_50977463,MCULE-3113207582	351.831	LYMYTGIATYMLGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078856
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1cnn(c1Cl)C	EMOLS-id_258197251,MCULE-2078262739	351.834	VRKLJWGWPMMBKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078857
CCc1cc2n(c1C(=O)c1scc(c1)Cl)CCCCC2C(=O)O	PC-id_20484266,SCHEMBL11196022	351.848	LAKXPHUIRAKJKO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-078858
Clc1cc(CN2CCc3c(sc(OC(=O)OC)c3)CC2)ccc1	SCHEMBL4435760,PC-id_69043262	351.848	BVCJLLLGVSCAFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078859
C1CCc2nnc(n2CC1)S(=O)(=O)C1CCc2c1cccc2Cl	EMOLS-id_111914045,PC-id_136517205	351.851	RZVYGSZDPKOKGS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-078860
Clc1ccc(OCC[NH+](Cn2nc3n(CCCCC3)c2=O)C)cc1	PC-id_36203985	351.851	RDUPSUZDMGSCAM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-078861
Clc1cc(C(=O)CSc2n3CCCCCc3nn2)ccc1OC	PC-id_8410050	351.851	ARIHJGJXJPWITJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078862
COc1cc(N)c(cc1C(=O)Nc1nc2c(s1)CCCCC2)Cl	PC-id_119700477	351.851	XENAHGVHSGFKEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078863
COC(=O)C1CCc2n(CC1)c(nn2)CSc1ccc(cc1)Cl	PC-id_136557173,MCULE-5560301721,EMOLS-id_316953153	351.851	IPZXZNFHGLUASB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078864
COC(=O)[C@@H]1CCc2nnc(CSc3ccc(Cl)cc3)n2CC1	ZINC22_601043795	351.851	IPZXZNFHGLUASB-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078865
COC(=O)[C@H]1CCc2nnc(CSc3ccc(Cl)cc3)n2CC1	ZINC22_601043796	351.851	IPZXZNFHGLUASB-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-078866
CN(Cc1c(F)cccc1Cl)C(=O)c1cc2c(s1)CCCCC2	ZINC22_6507948,EMOLS-id_3423814,MCULE-3260734220,PC-id_4848216,CoCoCo_3197902	351.866	TUMCMJGTBPTUEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078867
ClCCS(=O)(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	PC-id_107650681	351.869	CCAHZTWZNNOACR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078868
c1(CN2CCCn3c(cc(n3)C(C)O)C2)nc([nH]c1Cl)CCCC	PC-id_91770956,MCULE-8982544292,EMOLS-id_55633810	351.874	UPRRNAUDSFWRKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078869
CCCCc1nc(c([nH]1)CN1CCCn2c(C1)cc(n2)[C@H](O)C)Cl	PC-id_99973638	351.874	UPRRNAUDSFWRKN-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078870
CCCCc1nc(c([nH]1)CN1CCCn2c(C1)cc(n2)[C@@H](O)C)Cl	PC-id_99973639	351.874	UPRRNAUDSFWRKN-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078871
ClC/C=C(/C(=O)Nc1sc2c(c1C=O)CCCCCC2)C=C/C	PC-id_143029419	351.891	ZZZWBADINBLBIK-LYKNEBDUSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078872
CCOc1c(Cl)c2-c(c1C(=O)C(Cl)(Cl)Cl)ccccc2	PC-id_102326249	352.04	XHEGVETYSVTCJU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-078873
CN([C@H]1CCC2=NNC(=O)N2CC1)S(=O)(=O)C3=CC=CC(=C3)OC	PC-id_164641752	352.121	OYJHAGFLAAJVNV-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-078874
Brc1c2sc(CCCCCCCC2)c1Br	PC-id_10760424	352.128	POHFHKYCUITNSY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-078875
C1CN(CCN2C1=NC(=N2)CC3=CC=CC=C3)C(=O)CCC(F)(F)F	PC-id_165424406	352.151	JCOGRWYHFSIMGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078876
CC(C)n1c2c(C=CC(CC2)NC(=O)N2CCS(=O)(=O)CC2)cn1	PC-id_163858729	352.157	PAQSINMNMXMPAI-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-078877
CC1C=CC2=C(C=C1)SC(=N2)/C=C/C/3=C/C(N=CC(/C=C3)(C)OC)C	PC-id_154662569	352.161	NMBUEIFICBRDHF-WFMNBNLYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-078878
Brc1cc(oc1)C(=O)c1n2c(C(CCCC2)C(=O)O)cc1	SCHEMBL11197071,PC-id_20484005	352.18	BHRBVLQQGRCOOH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-078879
Brc1oc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2)cc1	PC-id_20483854,SCHEMBL11200709	352.18	YZKABLNNMHDKNS-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-078880
Brc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)O	EMOLS-id_102166327	352.187	ZSRNPFKYQUFHSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078881
Brc1ccc(c(c1)O)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102180987	352.187	HAOLKKRXRNBCTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078882
Brc1cncc(c1)C(=O)NC1CCn2c(CC1)n[nH]c2=O	MCULE-9254538422,EMOLS-id_50586007,PC-id_91910805	352.187	PNIRCPZYTPSAAY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078883
CC#CCn1c(Br)nc2c1C(=O)N(C)CC(=O)N(/C=N/2)C	PC-id_144504448	352.187	ZMWZRRQRAZSVJG-OVCLIPMQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-078884
O=C(c1ccc(c(c1)O)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102180945	352.187	BNHXLFZSINKNTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078885
O=C(C1CCn2c(CC1)nnc2)Nc1nccc(c1O)Br	EMOLS-id_316705717	352.187	MVLYLSAJKWGVJU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078886
O=C(Nc1ccncc1Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102010566	352.19	FNMGGNCYNMMRAX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078887
O=C(Nc1cncc(c1)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102008571	352.19	TWNMNJDPOYHFFZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078888
COC1=CC=CC(=C1)C2=C(C=NN2)CNCC3=NN=C4N3CCCCC4	PC-id_154775224,MCULE-8212316137	352.201	RRMAPQZPMVQZRJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078889
Brc1cc([nH]c1)C(=O)NC(c1n2CCCCCc2nn1)C	PC-id_60743903	352.23	QLKBOHKPWQXGAD-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-078890
CCc1n[nH]c(c1Br)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101676599	352.23	ZNRIYXOAHAWWQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078891
Cn1cc(c(n1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C)Br	MCULE-4990666954,EMOLS-id_316450633	352.23	QUIVWRQNDYHQNY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078892
CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=NN5CCCNCC5=C4	PC-id_164700141,MCULE-9020210116	352.238	LOPOJGURWBRJFJ-UHFFFAOYSA-N	00000010100010100101000000000010000000000000000000000000	31-01-078893
Brc1cc(Sc2n3CCCCCc3nn2)c(cc1)C=O	PC-id_63803369	352.249	LEYPRZAYNBAPQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078894
Brc1ncc(NC(=O)c2sc3CCCCCc3c2)nc1	PC-id_65549751	352.249	MWLKEFBCUYEWOS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-078895
O=Cc1cc(Br)ccc1Sc1nnc2n1CCCCC2	PC-id_108275004	352.249	WDCPJJIPJNYIRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078896
O=Cc1ccc(cc1Br)Sc1nnc2n1CCCCC2	PC-id_108266543	352.249	PWKNXPYQMULXNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078897
O=Cc1ccc(c(c1)Br)Sc1nnc2n1CCCCC2	PC-id_108284118	352.249	BCCOIUAYPSSIDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078898
CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(Cl)c(Cl)c1	ZINC22_1524399714	352.255	NYRUBSSNGQHNCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078899
CC(C)(C(=O)N1CCCc2n[nH]cc2C1)c1ccc(Cl)c(Cl)c1	ZINC22_1118511752	352.258	UWHSJUBENQHCNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078900
Brc1c(n(nc1C)CC)Cn1cc2C(O)CCCCc2c1	PC-id_83210208	352.269	RTMYFYWQIODOLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078901
Brc1c(n(nc1CC)C)Cn1cc2C(O)CCCCc2c1	PC-id_83210209	352.269	SOEHNXBCOVBYHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078902
Brc1ccc(nc1)CC(c1cc2c(s1)CCCCC2)O	PC-id_115833226	352.289	FAZJOMZIBJZFLK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-078903
Brc1cncc(c1)CC(c1cc2c(s1)CCCCC2)O	PC-id_115833424	352.289	GKACDLUVLKIRRP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-078904
Brc1c(OC2CCN(Cc3c2sc(c3)C)C)cccc1	PC-id_68409660,SCHEMBL2835922	352.289	YGQRLAIZMLMOPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078905
Brc1c(OC2CCN(Cc3sc(cc23)C)C)cccc1	PC-id_68410447,SCHEMBL2837859	352.289	XMHKSFPZPAMFPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078906
Brc1c(OC2CN(CCc3c2scc3)CC)cccc1	PC-id_68410111,SCHEMBL2837042	352.289	IFXQWUOUMHKJSF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078907
Brc1c(OC2CN(CCc3sccc23)CC)cccc1	SCHEMBL2834956,PC-id_68409295	352.289	RUIIZHFYLGFEGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-078908
O=C(Nc1ccc2c(c1)OC(O2)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_101999691	352.296	QIPPHBILVCHVKY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-078909
C1=CC=c2cc([nH]c2=C=C1)CNS(=O)(=O)c1c(cc(c(c1)F)F)F	PC-id_89383457,SCHEMBL14620782	352.331	ZMBHVXNKEHNTRV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-078910
c1ccc2-c(nc(c2)CNS(=O)(=O)c2c(cc(c(c2)F)F)F)cc1	PC-id_136489710	352.331	RUVDEEBFVJIURU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-078911
COc1c(F)cc(cc1F)NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_87031642	352.336	XHCITIMBWFETCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078912
COCCn1nc2CCN(CCn2c1=O)C(=O)c1ccc(F)cc1F	EMOLS-id_50585927,PC-id_91910652,MCULE-7829551535	352.336	ORIIIWHERRCFIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078913
COCCn1nc2CCN(CCn2c1=O)C(=O)c1cc(F)ccc1F	EMOLS-id_50585929,PC-id_91910653,MCULE-8516491204	352.336	XJCVZPANBXTAGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078914
c1(C(=O)O)cc2n(CCCN(C(=O)c3cccc(c3)n3cnnc3)C2)n1	MCULE-2203997993,PC-id_50963985,EMOLS-id_32398196,ZINC22_65405149	352.347	AHAYKMQQOKNNTE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078915
C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nnc2n1CCCCC2	PC-id_36439243,ZINC22_29252638,CoCoCo_4691934	352.354	WSNBIDOEQHIPBC-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-078916
C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1nnc2n1CCCCC2	ZINC22_29252632,CoCoCo_4691933,PC-id_36439237	352.354	WSNBIDOEQHIPBC-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078917
CC(=O)c1ccc(cc1C(F)(F)F)NCc1nnc2n1CCCCC2	EMOLS-id_279129293	352.354	PXCZOGPBKPGOSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078918
FC(F)(F)c1cc(CC(=O)NCc2n3CCCCCc3nn2)ccc1	EMOLS-id_257861919,PC-id_51266235,MCULE-5001344334	352.354	RABUEGKUXUBQQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078919
FC(F)(F)c1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51307430	352.354	OGXUWFRXQKGVMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078920
FC(F)(F)c1cc(C(=O)NC(c2n3CCCCCc3nn2)C)ccc1	PC-id_42945137,MCULE-3895460831,EMOLS-id_27394756	352.354	WSNBIDOEQHIPBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078921
FC(F)(F)c1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_51307429	352.354	AJYIIJSIPIBHES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078922
O=C(c1ccccc1C(F)(F)F)N1CCn2c(CC1)nnc2C(C)C	CoCoCo_1424728	352.354	AVZVROLBTNNKKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078923
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1CCC(F)(F)F	EMOLS-id_316685305	352.354	ZWBGECFEAXOSCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078924
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(cc1C)C(F)(F)F	MCULE-2505412851,EMOLS-id_319842040	352.354	JNNBPRDEOGKFBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078925
O=C(C1CCn2c(CC1)nnc2)NC(c1ccccc1C(F)(F)F)C	EMOLS-id_319756507	352.354	BADZZLGOPRNULK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078926
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)C)C(F)(F)F	EMOLS-id_101957162	352.354	LJAPEHOZFMJYEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078927
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1C)C(F)(F)F	EMOLS-id_101961552	352.354	NHJKOGLBBGXQRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078928
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(ccc1C)C(F)(F)F	EMOLS-id_101965686	352.354	OIVLNHOAZVGUQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078929
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)C(F)(F)F)C	EMOLS-id_101968641	352.354	XROCJKXGZRLWAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078930
CC1C=Cc2c(S(=O)N1)nn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL21337050,PC-id_139471054	352.359	HNJNMJAAXSIBOI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-078931
F/C=C/c1c(C=C)[nH]c2c1C(=CCNC2=O)CC(=O)Nc1ccncc1	PC-id_142965866	352.362	OFCPOOBKQZPYAY-XVNBXDOJSA-N	00000000100000101110000000000010000000000000000000000000	31-01-078932
Cc1ccc(cc1)S(=O)(=O)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_71570890,SCHEMBL14966258	352.366	BNSPUFSZJMEUTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078933
CNC(=O)c1noc2c1c(=O)c(ccc2O)SCCNC(=O)NC	PC-id_137153428	352.366	SDNSGXKNOOFUIO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-078934
Cc1noc(C)c1S(=O)(=O)N1CCc2nn(CC#N)c(=O)n2CC1	PC-id_91910693,EMOLS-id_50586467,MCULE-8126125835	352.369	KJXHBACEDYONLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078935
O=C(OC(C)(C)C)N[C@H]1CCC[C@H](c2c1sc(n2)C(F)(F)F)O	PC-id_144473216	352.372	YHHVKYGXVWFWCK-JGVFFNPUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-078936
FC1(F)CC(C1)C(=O)N1CCCn2ncc(C(=O)N3CCCC3)c2C1	ZINC22_1565545839,EMOLS-id_313772748	352.379	QKODSRVBHMOBTJ-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-078937
COc1ccc2-c(cc1)ccc2C(=O)c1cc(OC)c(c(c1)OC)OC	PC-id_57574748,SCHEMBL13931776	352.38	BDEBJYGBEWFNEF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-078938
Cc1ccc(c(c1)F)S(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_112072549	352.381	OMKRARNGVGTXND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078939
Cc1cc(F)cc(c1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_112072696	352.381	PAVIEPOHIDDHEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078940
CN1CCCn2c(cc(n2)CNS(=O)(=O)c2cccc(c2)F)C1=O	EMOLS-id_43630262,PC-id_87053518,MCULE-2411387880	352.384	CRPKTIHBWKIGCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078941
NC(=O)c1cn2CCN(CCc2n1)S(=O)(=O)Cc1ccc(F)cc1	MCULE-5257661700,EMOLS-id_331107885,ZINC22_1875246622	352.384	SGWFYHYQDRHLCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078942
O(c1c(c2-c(c1C(=O)OCC)ccccc2)C(=O)/C(=C/N(C)C)/C#N)C	PC-id_56970974	352.384	BQEFPLLDXPKFKU-OUKQBFOZSA-N	00000010100000000110000000000010000000000000000000000000	31-01-078943
O(c1c(c2-c(c1C(=O)OCC)ccccc2)C(=O)C(=CN(C)C)C#N)C	PC-id_76453365	352.384	BQEFPLLDXPKFKU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-078944
s1c2c(CCCCC2)c(c1NC(=O)c1[n+]([nH]oc1=O)C)C(=O)OC	PC-id_53290553	352.386	GIPCUEWXRMSEFZ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-078945
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc2c([nH]cc2)c1	ZINC22_72453496,MCULE-6910669472,PC-id_56904289,EMOLS-id_43142564	352.387	ZTBNXFBZKVVEFW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078946
c12CN(CCCn1nc(CNC(=O)c1ccc3c(cco3)c1)c2)C(=O)C	MCULE-9560399588,EMOLS-id_44444079,PC-id_70763586,ZINC22_82136690	352.387	GFBUUGSVNAQAME-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078947
c1(C(=Cc2ccc(c(OC)c2)OC(=O)C)C#N)nnc2CCCCCn12	MCULE-9243282992,EMOLS-id_300306838,PC-id_5078038	352.387	GCLKYAOVTQXFCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078948
c1(cc(on1)c1ccccc1)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	PC-id_90653656,EMOLS-id_50549067,MCULE-6646842400	352.387	ABQQEXLHUAKPRO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078949
c1(cc(on1)c1ccc(cc1)OC)C(=O)N1CCCc2n(ncc2C1)C	PC-id_92428020,EMOLS-id_370930,MCULE-4119206929,AOP-19598565,ZINC22_12236356	352.387	GGOFCJIPWOFTIZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078950
c1(cc(on1)C)C(=O)N1CCCn2c(cc(n2)C(O)c2ccccc2)C1	EMOLS-id_55639164,PC-id_91772859,MCULE-4298398453	352.387	FWVMOYMXDPMWRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078951
c1(C(=O)O)cc2n(CCCN(C(=O)CCc3c4ccccc4[nH]c3)C2)n1	ZINC22_67871648,EMOLS-id_32401002,MCULE-3508638142,PC-id_50965486	352.387	QJPMLFARFWSHHT-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078952
c1(C(=O)OC)cc2n(CCCN(C(=O)Cc3c4ccccc4[nH]c3)C2)n1	ZINC22_67788925,EMOLS-id_46073573,MCULE-7303963146,PC-id_50972296	352.387	DUCLYRRQBUJJNP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-078953
Cc1ccc2c(c1)C(=O)N(C2=O)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101668267	352.387	KTRPFJMDTINEKA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-078954
Cc1ccc2c(c1)nc(CNC(=O)c1cc3c(o1)CCCNC3=O)n2C	ZINC22_2325771398	352.387	MENLVZNPLVEJSS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-078955
Cc1cccc(CO[C@@H]2CN(C(=O)c3cocn3)Cc3cccn3C2)n1	ZINC22_247858593	352.387	FFTBOQIHSIGCGW-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078956
Cc1cccc(CO[C@H]2CN(C(=O)c3cocn3)Cc3cccn3C2)n1	ZINC22_247858603	352.387	FFTBOQIHSIGCGW-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078957
Cc1ccc(o1)CN1CCc2c(CC1)oc(n2)C(=O)Nc1cnccc1	PC-id_134807193	352.387	LIJBHBLVDXQRNT-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078958
Cc1c(cco1)C(=O)N1CCc2nn(c(=O)n2CC1)Cc1ccccc1	PC-id_91922557	352.387	KPJREETWAKKWIR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-078959
Cc1ccc(OCC2CCn3nccc3CN2C(=O)c2ccoc2)cn1	EMOLS-id_313819425	352.387	FWTBRKXHSASDLQ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078960
Cc1ccc(OC[C@@H]2CCn3nccc3CN2C(=O)c2ccoc2)cn1	ZINC22_585096947	352.387	FWTBRKXHSASDLQ-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078961
Cc1ccc(OC[C@H]2CCn3nccc3CN2C(=O)c2ccoc2)cn1	ZINC22_585096948	352.387	FWTBRKXHSASDLQ-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078962
Cc1cc(C(=O)N2Cc3cccn3C[C@H](OCc3ccccn3)C2)on1	ZINC22_253600223	352.387	KLMRXMGHQKCUSW-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078963
Cc1cc(C(=O)N2Cc3cccn3C[C@@H](OCc3ccccn3)C2)on1	ZINC22_253600224	352.387	KLMRXMGHQKCUSW-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078964
Cc1cc(C(=O)N2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)no1	ZINC22_219718404,PC-id_100046136	352.387	FWVMOYMXDPMWRC-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078965
Cc1cc(C(=O)N2CCCn3nc([C@H](O)c4ccccc4)cc3C2)no1	ZINC22_219718484,PC-id_100046137	352.387	FWVMOYMXDPMWRC-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078966
Cc1ccoc1C(=O)N1Cc2ccnn2CCC1COc1cccnc1	EMOLS-id_313821730	352.387	YIPKSWDCOXLPHH-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078967
Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@H]1COc1cccnc1	ZINC22_585098437	352.387	YIPKSWDCOXLPHH-INIZCTEOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078968
Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@@H]1COc1cccnc1	ZINC22_585098439	352.387	YIPKSWDCOXLPHH-MRXNPFEDSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078969
Cc1ccoc1C(=O)N1Cc2cncn2C[C@@H](COc2ccccn2)C1	PC-id_97474924,ZINC22_96206764	352.387	SOXSJUQQUFDLSO-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078970
Cc1ccoc1C(=O)N1Cc2cncn2C[C@H](COc2ccccn2)C1	ZINC22_96206763,PC-id_97474923	352.387	SOXSJUQQUFDLSO-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078971
Cc1ccoc1C(=O)N1CC(COc2ccccn2)Cn2cncc2C1	EMOLS-id_49229103	352.387	SOXSJUQQUFDLSO-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078972
Cc1cc(on1)C(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_50008340	352.387	KLMRXMGHQKCUSW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-078973
Cc1occc1C(=O)N1Cc2cncn2C[C@H](COc2ccccn2)C1	ZINC22_96206226,PC-id_97474388	352.387	PYZBYDLWLZHLDL-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078974
Cc1occc1C(=O)N1Cc2cncn2C[C@@H](COc2ccccn2)C1	ZINC22_96206227,PC-id_97474389	352.387	PYZBYDLWLZHLDL-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078975
Cc1occc1C(=O)N1CC(COc2ccccn2)Cn2cncc2C1	EMOLS-id_49228257	352.387	PYZBYDLWLZHLDL-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078976
C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(c3ccccc3)on1)C2	PC-id_100067851,ZINC22_221417280	352.387	ABQQEXLHUAKPRO-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078977
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(c3ccccc3)on1)C2	PC-id_100067852,ZINC22_221417330	352.387	ABQQEXLHUAKPRO-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-078978
COc1cc(/C=C(C#N)/c2nnc3CCCCCn23)ccc1OC(=O)C	CoCoCo_2593224,SPECS-id_AT-225/NB58530,EMOLS-id_26445653,PC-id_6264327	352.387	GCLKYAOVTQXFCI-XNTDXEJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078979
N#CC(c1nnc2n1CCCCC2)C(=O)c1oc2c(c1C)C(=O)CCC2	EMOLS-id_98138344	352.387	CFMHODVPMGHJOJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-078980
N#CC(=Cc1cccc(c1)OCCC(=O)O)c1nnc2n1CCCCC2	MCULE-4762340418,PC-id_72046259,EMOLS-id_37014249	352.387	BCJBNJNMQDADJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078981
N#C/C(=Cc1cccc(c1)OCCC(=O)O)/c1nnc2n1CCCCC2	PC-id_97538982	352.387	BCJBNJNMQDADJK-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078982
N#C/C(=C/c1ccc(c(c1)OC)OC(=O)C)/c1nnc2n1CCCCC2	PC-id_66557341,CoCoCo_2593225	352.387	GCLKYAOVTQXFCI-GDNBJRDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078983
O(c1cc(/C=C(c2n3CCCCCc3nn2)/C#N)ccc1)CCC(=O)O	PC-id_52794284	352.387	BCJBNJNMQDADJK-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-078984
O=C1CCC(=NN1)c1ccc(NC(=O)c2noc3c2CCCCC3)cc1	MCULE-3069400853,EMOLS-id_50354195,ZINC22_155470291,PC-id_91650317	352.387	VXPRDPXQCVIKEK-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-078985
O=C(Cc1ccco1)N1Cc2ccnn2C[C@H](OCc2cccnc2)C1	ZINC22_247866813	352.387	OXYVCWSJBYVMQU-GOSISDBHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078986
O=C(Cc1ccco1)N1Cc2ccnn2C[C@@H](OCc2cccnc2)C1	ZINC22_247866817	352.387	OXYVCWSJBYVMQU-SFHVURJKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078987
O=C(Cc1ccco1)N1Cc2ccnn2C[C@H](OCc2ccncc2)C1	ZINC22_247860778	352.387	MPKCZPFJSXNJEZ-GOSISDBHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078988
O=C(Cc1ccco1)N1Cc2ccnn2C[C@@H](OCc2ccncc2)C1	ZINC22_247860782	352.387	MPKCZPFJSXNJEZ-SFHVURJKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078989
O=C(Cc1ccco1)N1Cc2cncn2C[C@H](COc2ccccn2)C1	PC-id_97475277,ZINC22_96207137	352.387	BDSJHMXVASGZCQ-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078990
O=C(Cc1ccco1)N1Cc2cncn2C[C@@H](COc2ccccn2)C1	ZINC22_96207133,PC-id_97475276	352.387	BDSJHMXVASGZCQ-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078991
O=C(Cc1ccco1)N1Cc2cncn2C[C@H](COc2cccnc2)C1	PC-id_97477338,ZINC22_96209211	352.387	ZFSAFXMUIXBCNW-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078992
O=C(Cc1ccco1)N1Cc2cncn2C[C@@H](COc2cccnc2)C1	ZINC22_96209210,PC-id_97477337	352.387	ZFSAFXMUIXBCNW-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078993
O=C(Cc1ccco1)N1CC(Cn2nccc2C1)OCc1cccnc1	EMOLS-id_50011158	352.387	OXYVCWSJBYVMQU-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078994
O=C(Cc1ccco1)N1CC(Cn2nccc2C1)OCc1ccncc1	EMOLS-id_50007142	352.387	MPKCZPFJSXNJEZ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078995
O=C(Cc1ccco1)N1CC(COc2ccccn2)Cn2cncc2C1	EMOLS-id_49229711	352.387	BDSJHMXVASGZCQ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078996
O=C(Cc1ccco1)N1CC(COc2cccnc2)Cn2cncc2C1	EMOLS-id_49232925	352.387	ZFSAFXMUIXBCNW-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-078997
O=C([C@H](N1C(=O)c2c(C1=O)cccc2)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101680007	352.387	CQTVVVLTTJSOPG-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-078998
c12n(Cc3cccnc3)cnc1c(=O)[nH]c(NC1CCCCC1)nc2=O	PC-id_31162277,CoCoCo_1573977,EMOLS-id_24865831,ZINC22_23506550,MCULE-6309688529	352.39	LYUIKXPLMAXFCO-UHFFFAOYSA-N	00000000100010101111000000000010000000000000000000000000	31-01-078999
c1(C(C)NC(=O)c2conc2c2ccccc2)nnc2CCNCCn12	EMOLS-id_36465999,MCULE-8979722680,PC-id_56722693	352.39	ODZVMEHUOSDYOX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079000
c1(cn2c(nccc2)n1)C(=O)N1CCCn2c(cc(n2)C(O)C2CC2)C1	EMOLS-id_55656876,MCULE-6125865471,PC-id_91778998	352.39	VOTUEHFMWOJHHD-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-079001
C1CN(Cc2cc(nn2C1)C(C1CC1)O)C(=O)c1cnc2n1nccc2	PC-id_91796644,MCULE-7997863050,EMOLS-id_55708376	352.39	SJDUCCCWEWCUPH-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-079002
c1(C(=O)N2CCCn3c(cc(n3)C(O)C3CC3)C2)cc2n(cccn2)n1	PC-id_91769785,EMOLS-id_55630480,MCULE-9685841299	352.39	GBJZBMJEYXVROG-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-079003
c1(C(=O)NCc2cc3n(CCCNC3)n2)[nH]nc(c2ccccc2O)c1	MCULE-5038509591,PC-id_136252923,ZINC22_82137521,EMOLS-id_44445245	352.39	VCJWWEWXYXZUJG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079004
c1(C(=O)NCc2[nH]c3c(cccc3)n2)cc2n(CCCN(C(=O)C)C2)n1	PC-id_56713643,ZINC22_67723934,EMOLS-id_36447441,MCULE-6913085972	352.39	BERDKPLGKOWRQS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079005
c1(C(=O)NCc2onc(c3cccc(C)c3)n2)nnc2CCCCCn12	EMOLS-id_36455411,MCULE-4250363431,ZINC22_67851308,PC-id_56717519	352.39	RAQBYIRIWJDWMR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079006
c1(C(=O)NCCc2noc(c3ccccc3)n2)cn2c(CCNCC2)n1	ZINC22_1857726900,EMOLS-id_330446899,MCULE-3348875894	352.39	HPQBTXGZQWBJFU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079007
c1(C(=O)NCCc2onc(c3ccncc3)n2)c2CCCCCc2[nH]n1	EMOLS-id_323255473,MCULE-1980241489	352.39	DKJVELQNRYRCTF-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-079008
c1([nH]nc(c2ccc(cc2)OC)c1)C(=O)N1CCn2c(CC1)nnc2C	ZINC22_91574105,MCULE-3818100008,PC-id_70733420,EMOLS-id_44715058	352.39	VWLDHDRERMFZEW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079009
Cc1c(oc(n1)c1cc(ccc1)NC(=O)C1CCc2nnnn2CC1)C	EMOLS-id_316881842,PC-id_136549870,MCULE-3362493376	352.39	GLSRLJWXLWICOS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079010
Cc1nc(c2cccc(NC(=O)[C@@H]3CCc4nnnn4CC3)c2)oc1C	ZINC22_583568338	352.39	GLSRLJWXLWICOS-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079011
Cc1nc(c2cccc(NC(=O)[C@H]3CCc4nnnn4CC3)c2)oc1C	ZINC22_583568339	352.39	GLSRLJWXLWICOS-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079012
Cc1nnc2CCN(CCn12)C(=O)CCc1nc(no1)c1ccccc1	EMOLS-id_43601209,ZINC22_77522883,PC-id_70780586,MCULE-8923936223	352.39	CRMYDOHHXGERFC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079013
CC(c1noc(n1)c1ccccc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316716208	352.39	QFIDKJOQNHHLOO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079014
C[C@H](NC(=O)c1conc1c1ccccc1)c1nnc2n1CCNCC2	ZINC22_67975732	352.39	ODZVMEHUOSDYOX-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079015
C[C@@H](NC(=O)c1conc1c1ccccc1)c1nnc2n1CCNCC2	ZINC22_67975734	352.39	ODZVMEHUOSDYOX-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079016
CC(=O)N1CCCn2nc(CNc3noc(c4ccccc4)n3)cc2C1	MCULE-6223148614,PC-id_70717503,ZINC22_82096822,EMOLS-id_44427959	352.39	OOOOZXUEHFSBAJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079017
Cn1ccc(C(=O)N2Cc3cncn3C[C@H](COc3ccccn3)C2)n1	ZINC22_96209403,PC-id_97477530	352.39	UAGIAVMZONAORI-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079018
Cn1ccc(C(=O)N2Cc3cncn3C[C@@H](COc3ccccn3)C2)n1	ZINC22_96209404,PC-id_97477531	352.39	UAGIAVMZONAORI-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079019
Cn1ccc(C(=O)N2Cc3cncn3C[C@H](COc3cccnc3)C2)n1	PC-id_97477413,ZINC22_96209286	352.39	RAIZLEIVWCRMCJ-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079020
Cn1ccc(C(=O)N2Cc3cncn3C[C@@H](COc3cccnc3)C2)n1	PC-id_97477414,ZINC22_96209287	352.39	RAIZLEIVWCRMCJ-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079021
Cn1ccc(n1)C(=O)N1CC(COc2ccccn2)Cn2cncc2C1	EMOLS-id_49233245	352.39	UAGIAVMZONAORI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079022
Cn1ccc(n1)C(=O)N1CC(COc2cccnc2)Cn2cncc2C1	EMOLS-id_49233057	352.39	RAIZLEIVWCRMCJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079023
Cn1nccc1C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	MCULE-2690125073,EMOLS-id_50590105,PC-id_91922514	352.39	OUBKXHYMHBTSEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079024
CN(Cc1cc(c2ccccn2)no1)C(=O)c1cc2n(n1)CCCNC2	PC-id_50950061,EMOLS-id_32371712,MCULE-5540527615,ZINC22_65372112	352.39	LWHNDJMJLAKKKQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-079025
COc1ccc(c2cnc(NC(=O)c3nnc4n3CCCCC4)[nH]2)cc1	ZINC22_1875244961,EMOLS-id_331136275	352.39	CYOHZVFFHGIMTB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079026
COc1ccc(c2nc(=NCc3nnc4n3CCOCC4)cc[nH]2)cc1	ZINC22_1615556098,EMOLS-id_320299971,MCULE-5855297456	352.39	BTCMMRHECUZWHV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079027
n12CCN(CCc1nn(CC1CC1)c2=O)C(=O)c1c2ccccc2[nH]n1	EMOLS-id_50585731,PC-id_91922442,MCULE-1766922086	352.39	ITABYRUJONJLAL-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-079028
o1nc(C(=O)NCCc2n3CCCCCc3nn2)cc1c1cccnc1	PC-id_55790766	352.39	XTOKDLPQKNLEPA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-079029
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(n2nccc2)cc1	PC-id_78866504	352.39	MWPLVPARYADEMQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079030
O=C(c1cc2ncccn2n1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	PC-id_100038247,ZINC22_219314320	352.39	GBJZBMJEYXVROG-QGZVFWFLSA-N	00100000100000100101000001000010000000000000000000000000	31-01-079031
O=C(c1cc2ncccn2n1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_219314290,PC-id_100038245	352.39	GBJZBMJEYXVROG-KRWDZBQOSA-N	00100000100000100101000001000010000000000000000000000000	31-01-079032
O=C(c1ccco1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_247798111	352.39	DPPHPGLRKDUVFB-AWEZNQCLSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079033
O=C(c1ccco1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_247798112	352.39	DPPHPGLRKDUVFB-CQSZACIVSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079034
O=C(C1CCn2c(CC1)nnc2)NC(c1ncon1)Cc1ccccc1	EMOLS-id_278954491	352.39	RZRXFOAGCLAFOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079035
O=C(c1ccoc1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_247805426	352.39	ATLQXFAUVITTMM-AWEZNQCLSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079036
O=C(c1ccoc1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_247805429	352.39	ATLQXFAUVITTMM-CQSZACIVSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079037
O=C(c1cn2cccnc2n1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_220473601,PC-id_100059286	352.39	VOTUEHFMWOJHHD-INIZCTEOSA-N	00100000100000100101000001000010000000000000000000000000	31-01-079038
O=C(c1cn2cccnc2n1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_220473668,PC-id_100059288	352.39	VOTUEHFMWOJHHD-MRXNPFEDSA-N	00100000100000100101000001000010000000000000000000000000	31-01-079039
O=C(c1cnc2n1nccc2)N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O	PC-id_100308505	352.39	SJDUCCCWEWCUPH-KRWDZBQOSA-N	00100000100000100101000001000010000000000000000000000000	31-01-079040
O=C(c1cnc2n1nccc2)N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O	PC-id_100308515	352.39	SJDUCCCWEWCUPH-QGZVFWFLSA-N	00100000100000100101000001000010000000000000000000000000	31-01-079041
O=C(N1CC(CCNc2ncccn2)Cn2nccc2C1)c1ccco1	EMOLS-id_50375607	352.39	DPPHPGLRKDUVFB-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079042
O=C(N1CC(CCNc2ncccn2)Cn2nccc2C1)c1ccoc1	EMOLS-id_50375531	352.39	ATLQXFAUVITTMM-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079043
O=C(NCc1nn2CCCNCc2c1)C1=C/C(=C/2C(=O)C=CC=C2)/NN1	PC-id_70766976	352.39	UAYIWPNZBLZDIX-CCEZHUSRSA-N	00000011100011000101100000000010000000000000000000000000	31-01-079044
O=C(O/N=c/1c(C)nc2c(nc1C)n(nc2C)C)NCc1ccccc1	PC-id_102003427	352.39	HINJVVXJDXEYMI-HZHRSRAPSA-N	00000000100000110111000000000010000000000000000000000000	31-01-079045
O(/N=c/1c(nc2n(nc(c2nc1C)C)C)C)C(=O)NCc1ccccc1	PC-id_10594155	352.39	HINJVVXJDXEYMI-HAHDFKILSA-N	00000000100000110111000000000010000000000000000000000000	31-01-079046
O(N=c1c(nc2n(nc(c2nc1C)C)C)C)C(=O)NCc1ccccc1	PC-id_85198366	352.39	HINJVVXJDXEYMI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-079047
[O-][N+](=O)c1c(N(C)C)ccc(C=C(c2n3CCCCCc3nn2)C#N)c1	PC-id_78650335	352.39	VLMHOKQPZHSKDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079048
[O-][N+](=O)c1c(N(C)C)ccc(/C=C(/c2n3CCCCCc3nn2)C#N)c1	PC-id_8275347	352.39	VLMHOKQPZHSKDP-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079049
CCOC(=O)[C@@H](C(F)(F)F)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_101362052	352.391	OPNFWAHDDUMZQX-SFHVURJKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-079050
O=c1[nH]nc2CCN(CCn12)S(=O)(=O)c1cccc2nsnc12	EMOLS-id_239628358,MCULE-5744759894	352.392	VGBFMQCRTQKLQQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079051
c12nnnn1CCCCC2C(=O)N1CCN(CC1)c1ncccc1C#N	MCULE-6577112685,EMOLS-id_49676920,PC-id_74248738	352.394	FYICISGJTQTMGY-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-079052
c1(C(C)NC(=O)c2cccc(c2)n2cnnc2)nnc2CCNCCn12	PC-id_56713851,EMOLS-id_36447867,MCULE-3917997050	352.394	HZTNYNSFPPZWFL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079053
s1c2c(CCCCC2)c(c1NC(=O)CCC)C(=O)NC(=O)OCC	PC-id_7521933	352.448	NFKKLJZNGLYTPL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079356
c1(C(=O)Nc2cccc(c2)c2nnn(CC)n2)cn2c(CCNCC2)n1	MCULE-8338789488,EMOLS-id_330447164,ZINC22_1857726682	352.394	CDTYCCPASMQYDV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079054
c1(C(=O)NCc2[nH]nnn2)cc2n(CCCN(Cc3ccccc3)C2)n1	EMOLS-id_32401040,ZINC22_67871687,PC-id_50965504,MCULE-5875210448	352.394	ZEGADBMKCHLGDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079055
CC1(C)Cc2n[nH]cc2CN(C(=O)Cc2ccc(c3nn[nH]n3)nc2)C1	ZINC22_1590112762	352.394	FUPUXPFAOKZXRD-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-079056
Cc1ncnc(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)c1C	ZINC22_2055713830,EMOLS-id_313728730	352.394	PLOCYTFUZPHVMV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079057
Cc1ncnc(C(=O)N2CCCn3c(Cn4ccnc4)nnc3C2)c1C	ZINC22_1565556565,EMOLS-id_313730005	352.394	NPPWBHUPESWNKP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079058
Cc1nnnn1c1cccc(c1)C(=O)NCc1cc2CNCCCn2n1	ZINC22_96166424,EMOLS-id_49175702,MCULE-5801994505,PC-id_72931746	352.394	KIUIXOOHDZDSJJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079059
C[C@H](NC(=O)c1cccc(n2cnnc2)c1)c1nnc2n1CCNCC2	PC-id_95205793,ZINC22_67725981	352.394	HZTNYNSFPPZWFL-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079060
C[C@@H](NC(=O)c1cccc(n2cnnc2)c1)c1nnc2n1CCNCC2	PC-id_95205794,ZINC22_67725985	352.394	HZTNYNSFPPZWFL-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079061
CC(=O)N1CCCn2nc(CNc3nnnn3c3ccccc3)cc2C1	EMOLS-id_44440857,PC-id_70754160,ZINC22_82121846,MCULE-7644213119	352.394	LCZIMFLGUXAEMT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079062
n12CCCNCc1cc(CNC(=O)c1ccc(cc1)Cn1cnnn1)n2	ZINC22_82161660,EMOLS-id_44451371,PC-id_70784508,MCULE-4306785772	352.394	FXIXINSPFCBGCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079063
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)Cn1cnnn1	ZINC22_67713165,PC-id_56713305,EMOLS-id_36446751,MCULE-8869409109	352.394	JZOWSFFBYQMUDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079064
n1c(Cc2ccccc2)nn2CCN(C(=O)CCn3cnnn3)CCc12	MCULE-3336949983,ZINC22_2356133967,EMOLS-id_337721087	352.394	PVRGDRQUNMIECR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079065
N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCCn3nnnc23)CC1	PC-id_97939612,ZINC22_97773043	352.394	FYICISGJTQTMGY-CQSZACIVSA-N	00000000100010101101100000000010000000000000000000000000	31-01-079066
N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCCn3nnnc23)CC1	ZINC22_97773044,PC-id_97939613	352.394	FYICISGJTQTMGY-AWEZNQCLSA-N	00000000100010101101100000000010000000000000000000000000	31-01-079067
O=C(CCc1cncnc1)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_585110688	352.394	RACFGGWWDLQCTP-HNNXBMFYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079068
O=C(CCc1cncnc1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_585110689	352.394	RACFGGWWDLQCTP-OAHLLOKOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079069
O=C(CCc1cncnc1)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_313722332	352.394	RACFGGWWDLQCTP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079070
O=C(CCc1cncnc1)N1CCCn2nnc(Cn3cccn3)c2C1	EMOLS-id_313730007,ZINC22_1565546600	352.394	APMFFXBPRFHDEX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079071
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)n1cnnn1)C	EMOLS-id_101943120	352.394	OWFAUZKIGRYFPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079072
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)n1nnnc1C	EMOLS-id_101944746	352.394	AZSKCOZARCFPGE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079073
O=C(NCCc1n2CCCCCc2nn1)c1cc(n2ncnc2)ncc1	PC-id_60571268	352.394	JNEXQQNBBCWKSF-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-079074
s1c2CCCCCc2nc1NC(=O)C(Oc1cc(F)c(F)cc1)C	PC-id_56160117	352.399	DQZKAGKQXIKONP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079075
s1c2CCCCCCc2nc1NC(=O)COc1c(F)cc(F)cc1	PC-id_56021213	352.399	DZVDNMFTQXTMOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079076
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cc(F)ccc1F	PC-id_26928474,CoCoCo_4173140,ZINC22_16067094	352.402	BZIYEWPWRWZZKI-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079077
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cc(F)ccc1F	ZINC22_16067096,PC-id_26928475,CoCoCo_4173141	352.402	BZIYEWPWRWZZKI-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-079078
CSc1c(F)cc(cc1F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101860649	352.402	BDQFTCOJJPCVQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079079
Fc1ccc(c(c1)NC(=O)C(Sc1nnc2n1CCCCC2)C)F	EMOLS-id_24975888,MCULE-6053593676,PC-id_45853463	352.402	BZIYEWPWRWZZKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079080
O=C(C(=C)C)OCC1(COC(=O)C(=C)C)COc2c(OC1)csc2	PC-id_117862397,SCHEMBL16451559	352.402	MGGBWCZPIYFDMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079081
S(c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1)C(F)F	PC-id_51327474	352.402	CGHZNWHJBDKKHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079082
COC(=O)C1(NC(=O)c2coc3c2C(=O)NCCC3)CCSCC1	ZINC22_907150669	352.405	XIHLCOQCRIKLST-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-079083
Fc1ccccc1CN1Cc2cncn2C[C@H](COc2cccnc2)C1	PC-id_97487643,ZINC22_96220776	352.405	WTAHBMKDNCPQRI-MRXNPFEDSA-N	00000000100000111101000000000010000000000000000000000000	31-01-079084
Fc1ccccc1CN1Cc2cncn2C[C@@H](COc2cccnc2)C1	ZINC22_96220778,PC-id_97487645	352.405	WTAHBMKDNCPQRI-INIZCTEOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-079085
Fc1ccccc1CN1CC(COc2cccnc2)Cn2cncc2C1	EMOLS-id_49239199	352.405	WTAHBMKDNCPQRI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-079086
Fc1ccc(CN2Cc3cncn3C[C@@H](COc3cccnc3)C2)cc1	PC-id_97477852,ZINC22_96209725	352.405	KPGDHHSPRQTRLM-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-079087
Fc1ccc(CN2Cc3cncn3C[C@H](COc3cccnc3)C2)cc1	PC-id_97477853,ZINC22_96209726	352.405	KPGDHHSPRQTRLM-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-079088
Fc1ccc(CN2CC(COc3cccnc3)Cn3cncc3C2)cc1	EMOLS-id_49233779	352.405	KPGDHHSPRQTRLM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-079089
Cc1ccc(C(=O)N2CCCn3cnc(CNS(=O)(=O)C)c3C2)o1	EMOLS-id_46182357,ZINC22_96084667,PC-id_97405490	352.409	GPGSYFPCJYPOCL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079090
Cc1ccoc1C(=O)N1Cc2ccnn2CCC1CNS(=O)(=O)C	EMOLS-id_313815081	352.409	OKBASDPYKUQUPK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079091
Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@@H]1CNS(=O)(=O)C	ZINC22_585097634	352.409	OKBASDPYKUQUPK-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079092
Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@H]1CNS(=O)(=O)C	ZINC22_585097635	352.409	OKBASDPYKUQUPK-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079093
Cc1occc1C(=O)N1Cc2ccnn2C[C@H](CNS(=O)(=O)C)C1	ZINC22_248050104	352.409	WVURKYMOBHKIEK-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079094
Cc1occc1C(=O)N1Cc2ccnn2C[C@@H](CNS(=O)(=O)C)C1	ZINC22_248050110	352.409	WVURKYMOBHKIEK-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079095
Cc1occc1C(=O)N1CC(CNS(=O)(=O)C)Cn2nccc2C1	EMOLS-id_50374061	352.409	WVURKYMOBHKIEK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079096
Cc1occc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	MCULE-4484641922,ZINC22_92045592,EMOLS-id_46095319,PC-id_72934479	352.409	CIZWVXGZYUVGCJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079097
CCn1cc(nc1C)S(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_112072249	352.409	VHTQDHWMUFKITI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079098
CC(n1cnc(c1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_112072285	352.409	PEPMUIQDARMOIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079099
CC(n1ncc(c1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_112088561	352.409	DKLWSUORTMTSQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079100
COc1cc(c(cc1OC)C)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320155976,MCULE-6043528075	352.409	WDNPGDKABPATNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079101
COc1cccc(c1)S(=O)(=O)N(C1CCn2c(CC1)n[nH]c2=O)C	MCULE-4703782593,EMOLS-id_97041620	352.409	OYJHAGFLAAJVNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079102
CS(=O)(=O)NCC1CCn2nccc2CN1C(=O)Cc1ccco1	EMOLS-id_313816616	352.409	GPOWDRFLPCVSND-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079103
CS(=O)(=O)NC[C@H]1CCn2nccc2CN1C(=O)Cc1ccco1	ZINC22_585097020	352.409	GPOWDRFLPCVSND-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079104
CS(=O)(=O)NC[C@@H]1CCn2nccc2CN1C(=O)Cc1ccco1	ZINC22_585097022	352.409	GPOWDRFLPCVSND-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079105
Fc1cccc(CN2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)c1	ZINC22_306136356	352.409	PQZJHUGCGLUNFR-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079106
Fc1cccc(CN2Cc3ccnn3C[C@H](CNc3ncccn3)C2)c1	ZINC22_306136357	352.409	PQZJHUGCGLUNFR-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079107
Fc1cccc(CN2CC(CNc3ncccn3)Cn3nccc3C2)c1	EMOLS-id_50376365	352.409	PQZJHUGCGLUNFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079108
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1c(C)nn(c1C)C	EMOLS-id_112072108	352.409	DSVPKZWGPMEUNE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079109
c12C(=O)NCCCc1nc(NC(=O)c1ccc(cc1)n1cccc1)s2	EMOLS-id_48618998,PC-id_72719954,MCULE-3523176582,ZINC22_96124371	352.41	ZXQKEWYPRHOKAO-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-079110
N#Cc1ccn(c(=O)c1)CC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_316775429	352.41	ODKCNDNJETXGAC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-079111
S(Cc1nn(c2c1ccccc2=O)C)c1[nH]c2c(n1)ccc(OC)c2	PC-id_10247442	352.41	ZPENDRUYELTQSB-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-079112
Cc1ccnc(O[C@@H]2CN(S(=O)(=O)N(C)C)Cc3ccnn3C2)n1	ZINC22_306139494	352.412	SYRKDWAKLWADFQ-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079113
Cc1ccnc(O[C@H]2CN(S(=O)(=O)N(C)C)Cc3ccnn3C2)n1	ZINC22_306139495	352.412	SYRKDWAKLWADFQ-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079114
Cc1c[nH]c(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)n1	EMOLS-id_46071417,ZINC22_91745470,MCULE-2910652776,PC-id_72901627	352.412	OSHCDLYNCALXDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079115
Cn1cc(cn1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82092531,PC-id_70713287,MCULE-7400893836,EMOLS-id_44426489	352.412	CDNROLRLBPAGNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079116
CN(C)S(=O)(=O)N1CC(Cn2nccc2C1)Oc1nccc(C)n1	EMOLS-id_50011178	352.412	SYRKDWAKLWADFQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079117
S(c1n2CCCCCc2nn1)CC(=O)C1C(N(C(=O)NC1=O)C)N	PC-id_73251501	352.412	DISFQYZZGMRVJJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079118
S(=O)(=O)(N1CCCn2nc(cc2C1)CNc1nc(OC)ccn1)C	PC-id_70772220	352.412	JLCBCGGCEGUFLJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079119
CCOCCCN(C(=O)c1noc2c1CCCCC2)CC(C(=O)O)C	EMOLS-id_72331176,MCULE-6112245262,PC-id_120520302	352.425	QYLGXDYVVZVDFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079120
O=C(c1ccc2-c1ccccc2)CCCC(=O)c1ccc2-c1ccccc2	PC-id_101582649	352.425	VTIGSKSCGHSWNV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-079121
O(C(=O)c1c2-c(c(c1)C#CC#Cc1ccccc1)cccc(C(C)C)c2)C	PC-id_71489213	352.425	NRKBPFGBQLKVNL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-079122
OC(=O)CCC=C(c1c2-c(cc1)ccccc2)c1c2-c(cc1)ccccc2	PC-id_72712319	352.425	GUQKCJUWNZEBFP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-079123
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)OCC	PC-id_7459252	352.425	SAKSIBBWJKPBGZ-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-079124
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)OCCC	PC-id_4322750	352.425	JMNMDKNQWLSFEX-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-079125
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)OC(C)C	PC-id_7784404	352.425	DMFBRLQAGUGLKY-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-079126
s1c2c(CCCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)OC	PC-id_40591792	352.425	ATNBKNFCEODYPQ-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-079127
s1c2c(CCCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)OCC	PC-id_1740694	352.425	WSUNAFGFKQEHAA-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-079128
CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1cc2c(o1)CCCNC2=O	ZINC22_1875392722	352.427	QEHZXNJMHPEIMA-HNNXBMFYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-079129
CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1cc2c(o1)CCCNC2=O	ZINC22_1875392723	352.427	QEHZXNJMHPEIMA-OAHLLOKOSA-N	00000010100000110100100000000010000000000000000000000000	31-01-079130
C=CC(=O)N(C)c1ccc(C(=O)N2Cc3ccoc3CC(C)(C)C2)cc1	ZINC22_2325889808	352.427	YRYRKKSWXDTRIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079131
COCCC1CN(Cc2cccn2C1)C(=O)c1oc2ccccc2c1C	EMOLS-id_313836327	352.427	JELYFWAUPSYUTC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079132
COCC[C@@H]1CN(C(=O)c2oc3ccccc3c2C)Cc2cccn2C1	ZINC22_585095249	352.427	JELYFWAUPSYUTC-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079133
COCC[C@H]1CN(C(=O)c2oc3ccccc3c2C)Cc2cccn2C1	ZINC22_585095250	352.427	JELYFWAUPSYUTC-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079134
COC(=O)c1cc2c(n1Cc1ccccc1)C(=O)C(=CN(C)C)CCC2	PC-id_145189629	352.427	MWANKIHCPSQLIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079135
COC(=O)c1cc2c(n1Cc1ccccc1)C(=O)/C(=C/N(C)C)/CCC2	SCHEMBL18250044,PC-id_122705225	352.427	MWANKIHCPSQLIR-SAPNQHFASA-N	00000000100000110100000000000010000000000000000000000000	31-01-079136
O=C1CC(CN1c1cccc(c1C)C)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99328777	352.427	PPPGULKBMBBSJI-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-079137
O=C(c1ccccc1)CC1CCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_101036338	352.427	XJCXEGSOKQOMRK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079138
N#CC(=C1C=CC(=O)/C/1=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C)C#N	PC-id_101512706	352.428	NPIPPKRCRJYAIH-JJFYIABZSA-N	00000011100000000110000000000010000000000000000000000000	31-01-079139
CCOCCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)OC(C)(C)C	SCHEMBL18367410	352.429	OUTRQSGFWUWCLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079140
c12c(cccc1C(=O)N1CCCn3c(cc(n3)C(C)O)C1)c(c(C)[nH]2)C	EMOLS-id_55658400,MCULE-5391088456,PC-id_91779509	352.43	NSZSWWFEGYRBQA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079141
c12CN(CCCn1nc(C#N)c2)C(=O)COc1ccccc1C(C)CC	EMOLS-id_31616834,PC-id_46992992,MCULE-9527179515,SCHEMBL16100359	352.43	CHLFCOYUHTYKOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079142
c1(cc2c(ccc(OC)c2)[nH]1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_221194991,MCULE-4627539752,EMOLS-id_50540517,PC-id_90651347	352.43	QAVWJNCZLLLDAN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079143
c1(c(C)c2c(ccc(C)c2)[nH]1)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	EMOLS-id_55626510,PC-id_91768417,MCULE-7479050943	352.43	LVYSMSPFWJLSJA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079144
c1(CN(C)C(=O)CC2c3ccccc3C(=O)N2)c2CCCCCc2[nH]n1	EMOLS-id_32410498,MCULE-5977893349,PC-id_50970503	352.43	KCJDFXZOXPBFLW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079145
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3cc(no3)CC)C2)n1	PC-id_91794656,MCULE-5278824461,EMOLS-id_55702556	352.43	IZOYNTXUBPMWBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079146
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3c(C)noc3C)C2)n1	PC-id_91828369,EMOLS-id_232818846,MCULE-3666430510	352.43	DNLMLDSOMYYVFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079147
c1(C(=O)Nc2cccc3c2ccn3CCOC)c2CCCCCc2n[nH]1	PC-id_75489069,STOCK7S-45808,ZINC22_96223848,EMOLS-id_50401954,MCULE-3657291590,EMOLS-id_49246142	352.43	UETVLOMKMCCJRL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079148
c1(C(=O)N(C)C2Cc3c(cccc3)C2)cc2n(CCCN(C(=O)C)C2)n1	MCULE-2793156877,ZINC22_67725094,EMOLS-id_36447669,PC-id_56713753	352.43	SQPJRWAQHNWMSN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079149
c1(C(=O)NCCc2c[nH]c3ccc(OC)cc23)c2CCCCCc2n[nH]1	MCULE-7286612733,ZINC22_96231334,STOCK7S-46645,EMOLS-id_49247750,EMOLS-id_50402351,PC-id_75489770	352.43	FHTGPNTYJKBDFN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079150
c1(C(=O)NCCn2ccc3c(cccc23)OC)c2CCCCCc2n[nH]1	ZINC22_96231309,PC-id_75489751,EMOLS-id_49247708,STOCK7S-46624,EMOLS-id_50400216,MCULE-7489311867	352.43	VAMNHXAPBUBZSK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079151
c1(C(=O)NCCn2ccc3cc(OC)ccc23)c2CCCCCc2n[nH]1	PC-id_75490231,EMOLS-id_50402689,ZINC22_96231924,EMOLS-id_49248789,STOCK7S-47178,MCULE-7613596340	352.43	CNJPHAVSMSUSEO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079152
C1(=O)C(CCN1c1ccccc1)C(=O)NCc1c2CCCCCc2[nH]n1	EMOLS-id_232766324,MCULE-8518166177,PC-id_45229957	352.43	LDEQYPORVNJOIB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079153
Cc1cc2ccccc2n1CCC(=O)N1CCCn2nc(CO)cc2C1	EMOLS-id_55690281,PC-id_91790495,MCULE-1262419598	352.43	UBNQLZOQUDVDKB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079154
Cc1ccc2c(c1)c(C)c([nH]2)C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99973313	352.43	LVYSMSPFWJLSJA-CQSZACIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079155
Cc1ccc2c(c1)c(C)c([nH]2)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99973314	352.43	LVYSMSPFWJLSJA-AWEZNQCLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079156
Cc1ccc2c(CC(=O)NCc3nnc4n3CCCCC4)coc2c1C	EMOLS-id_13414615,MCULE-9963171618,CoCoCo_4336660,ZINC22_8761922,PC-id_16322964	352.43	RAFZBBFRMCQOQJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079157
Cc1ccccc1C(=O)N1Cc2ccnn2CCC1CN1CCCC1=O	EMOLS-id_313816107	352.43	WLSGMJOHFPTPLI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079158
Cc1ccccc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1=O	ZINC22_585098332	352.43	WLSGMJOHFPTPLI-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079159
Cc1ccccc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1=O	ZINC22_585098334	352.43	WLSGMJOHFPTPLI-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079160
Cc1ccccc1C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	ZINC22_96259348,EMOLS-id_44370244,PC-id_97519432	352.43	LLZIYIWNRISHJP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079161
Cc1ccc(cc1)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	ZINC22_96259349,EMOLS-id_44370246,PC-id_97519433	352.43	OYVIMDVDZCFHLM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079162
Cc1ccc(cc1)C(=O)N1C=C(C(=O)N(C)C)c2c(C(C1)(C)C)cn[nH]2	SCHEMBL19702792	352.43	USXYCBBUHHNMQJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-079163
Cc1cc(C)cc(c1)C(=O)N1CCCn2ncc(C(=O)NC3CC3)c2C1	ZINC22_585110783,EMOLS-id_313763535	352.43	GGOPTJRXSZQXEK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-079164
Cc1cccc(COC2CN(Cc3ccnn3C2)C(=O)C2=CCCC2)n1	EMOLS-id_50020222	352.43	NEACQLUCSYFFAY-UHFFFAOYSA-N	00000011100000101101000000000010000000000000000000000000	31-01-079165
Cc1cccc(CO[C@H]2CN(Cc3ccc(C)o3)Cc3ccnn3C2)n1	ZINC22_247898228	352.43	YKXDSSJCFMLBES-FQEVSTJZSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079166
Cc1cccc(CO[C@@H]2CN(Cc3ccc(C)o3)Cc3ccnn3C2)n1	ZINC22_247898232	352.43	YKXDSSJCFMLBES-HXUWFJFHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079167
Cc1cccc(CO[C@H]2CN(C(=O)C3=CCCC3)Cc3ccnn3C2)n1	ZINC22_306134125	352.43	NEACQLUCSYFFAY-IBGZPJMESA-N	00000011100000101101000000000010000000000000000000000000	31-01-079168
Cc1cccc(CO[C@@H]2CN(C(=O)C3=CCCC3)Cc3ccnn3C2)n1	ZINC22_306134126	352.43	NEACQLUCSYFFAY-LJQANCHMSA-N	00000011100000101101000000000010000000000000000000000000	31-01-079169
Cc1ccc(CC(=O)N2CCCn3ncc(C(=O)NC4CC4)c3C2)cc1	ZINC22_585110841,EMOLS-id_313763791	352.43	NCTVMRANBICLBF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-079170
Cc1ccc(CN2Cc3ccnn3C[C@H](COCc3ccccn3)C2)o1	ZINC22_96059245,PC-id_97381898	352.43	FUOOZNBIHQXRGU-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079171
Cc1ccc(CN2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)o1	ZINC22_96059246,PC-id_97381899	352.43	FUOOZNBIHQXRGU-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079172
Cc1ccc(CN2Cc3ccnn3C[C@H](COCc3cccnc3)C2)o1	ZINC22_96059237,PC-id_97381890	352.43	JEZYOUXENJVAOI-GOSISDBHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079173
Cc1ccc(CN2Cc3ccnn3C[C@@H](COCc3cccnc3)C2)o1	ZINC22_96059238,PC-id_97381891	352.43	JEZYOUXENJVAOI-SFHVURJKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079174
Cc1ccc(CN2Cc3cncn3C[C@H](COCc3ccccn3)C2)o1	ZINC22_96209160,PC-id_97477287	352.43	XSVWQTVQBGHHTB-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079175
Cc1ccc(CN2Cc3cncn3C[C@@H](COCc3ccccn3)C2)o1	ZINC22_96209161,PC-id_97477288	352.43	XSVWQTVQBGHHTB-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079176
Cc1ccc(CN2Cc3nccn3C[C@H](COCc3ccccn3)C2)o1	PC-id_97381818,ZINC22_96059165	352.43	SENWERXWINMIKT-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079177
Cc1ccc(CN2Cc3nccn3C[C@@H](COCc3ccccn3)C2)o1	ZINC22_96059166,PC-id_97381819	352.43	SENWERXWINMIKT-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079178
Cc1ccc(CN2Cc3nccn3C[C@H](COCc3cccnc3)C2)o1	PC-id_97381800,ZINC22_96059147	352.43	GZDMJLIICIZTKD-GOSISDBHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079179
Cc1ccc(CN2Cc3nccn3C[C@@H](COCc3cccnc3)C2)o1	ZINC22_96059148,PC-id_97381801	352.43	GZDMJLIICIZTKD-SFHVURJKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079180
Cc1ccc(CN2CC(Cn3nccc3C2)OCc2cccc(C)n2)o1	EMOLS-id_50007716	352.43	YKXDSSJCFMLBES-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079181
Cc1ccc(CN2CC(COCc3ccccn3)Cn3ccnc3C2)o1	EMOLS-id_46148515	352.43	SENWERXWINMIKT-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079182
Cc1ccc(CN2CC(COCc3ccccn3)Cn3cncc3C2)o1	EMOLS-id_49232857	352.43	XSVWQTVQBGHHTB-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079183
Cc1ccc(CN2CC(COCc3ccccn3)Cn3nccc3C2)o1	EMOLS-id_46148595	352.43	FUOOZNBIHQXRGU-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079184
Cc1ccc(CN2CC(COCc3cccnc3)Cn3ccnc3C2)o1	EMOLS-id_46148497	352.43	GZDMJLIICIZTKD-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079185
Cc1ccc(CN2CC(COCc3cccnc3)Cn3nccc3C2)o1	EMOLS-id_46148587,PC-id_118739228	352.43	JEZYOUXENJVAOI-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079186
Cc1ccc(OCC2CCn3nccc3CN2C(=O)C2=CCCC2)cn1	EMOLS-id_313822752	352.43	PSBLSALRRRRYFD-UHFFFAOYSA-N	00000011100000101101000000000010000000000000000000000000	31-01-079187
Cc1ccc(OC[C@H]2CCn3nccc3CN2C(=O)C2=CCCC2)cn1	ZINC22_585097784	352.43	PSBLSALRRRRYFD-GOSISDBHSA-N	00000011100000101101000000000010000000000000000000000000	31-01-079188
Cc1ccc(OC[C@@H]2CCn3nccc3CN2C(=O)C2=CCCC2)cn1	ZINC22_585097785	352.43	PSBLSALRRRRYFD-SFHVURJKSA-N	00000011100000101101000000000010000000000000000000000000	31-01-079189
Cc1c(C(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)oc2ccccc12	ZINC22_585097499	352.43	MKNHTGNAAZYMET-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079190
Cc1c(C(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)oc2ccccc12	ZINC22_585097502	352.43	MKNHTGNAAZYMET-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079191
Cc1noc(C)c1CN1CCCn2nc([C@@H](O)c3ccccc3)cc2C1	ZINC22_828595600	352.43	DNLMLDSOMYYVFL-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079192
Cc1noc(C)c1CN1CCCn2nc([C@H](O)c3ccccc3)cc2C1	ZINC22_828595601	352.43	DNLMLDSOMYYVFL-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079193
CCc1ccc2c(CC(=O)NCc3nnc4n3CCCCC4)coc2c1	EMOLS-id_30732523,ZINC22_48344347,MCULE-2134910695,PC-id_47014552	352.43	PIIFOEMANQRHPV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079194
CCc1ccc2occ(CC(=O)NCc3cc4CNCCCn4n3)c2c1	ZINC22_82108303,PC-id_70735529,EMOLS-id_44434331,MCULE-1619354374	352.43	ADCZYZMUGVARGU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079195
CCc1noc(c1)CN1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_99994767	352.43	IZOYNTXUBPMWBX-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079196
CCc1noc(c1)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_99994770	352.43	IZOYNTXUBPMWBX-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079197
CC[C@H](C)c1ccccc1OCC(=O)N1CCCn2nc(C#N)cc2C1	PC-id_52392615,ZINC22_55281076	352.43	CHLFCOYUHTYKOA-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079198
CC[C@@H](C)c1ccccc1OCC(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_55281075,PC-id_52392614	352.43	CHLFCOYUHTYKOA-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079199
CC([C@@H](N1Cc2c(C1=O)cccc2)C(=O)N1CCCc2c(C1)c[nH]n2)C	EMOLS-id_278991253	352.43	PKNJWALIOMNTOB-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079200
CC[C@@H](O)c1cc2n(n1)CCCN(Cc1coc(c3ccccc3)n1)C2	ZINC22_220041468,PC-id_100051510	352.43	WORNOTYMEVXELX-LJQANCHMSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079201
CC[C@H](O)c1cc2n(n1)CCCN(Cc1coc(c3ccccc3)n1)C2	ZINC22_220041540,PC-id_100051512	352.43	WORNOTYMEVXELX-IBGZPJMESA-N	00000000100000110101100000000010000000000000000000000000	31-01-079202
CCC(O)c1cc2CN(Cc3coc(n3)c3ccccc3)CCCn2n1	MCULE-7440530654,EMOLS-id_50535423,PC-id_90649945	352.43	WORNOTYMEVXELX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079203
C=CC(=O)Nc1cccc(C(=O)N2Cc3cnn(C)c3CC(C)(C)C2)c1	ZINC22_869336475	352.43	RZDYYRVQKYZPFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079204
C=CC(=O)Nc1ccc(C(=O)N2Cc3cnn(C)c3CC(C)(C)C2)cc1	ZINC22_1586010454	352.43	NQEUHGZIJNOWDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079205
C[C@@H]1C[C@H](NC(=O)c2n[nH]c3c2CCCCC3)C(=O)N1c1ccccc1	ZINC22_190509723	352.43	XKBCIPIYDCWANR-DYVFJYSZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079206
C[C@H]1C[C@H](NC(=O)c2n[nH]c3c2CCCCC3)C(=O)N1c1ccccc1	ZINC22_190509738	352.43	XKBCIPIYDCWANR-GUYCJALGSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079207
C[C@@H]1C[C@@H](NC(=O)c2n[nH]c3c2CCCCC3)C(=O)N1c1ccccc1	ZINC22_190509756	352.43	XKBCIPIYDCWANR-CXAGYDPISA-N	00000010100000110101100000000010000000000000000000000000	31-01-079208
C[C@H]1C[C@@H](NC(=O)c2n[nH]c3c2CCCCC3)C(=O)N1c1ccccc1	ZINC22_190509772	352.43	XKBCIPIYDCWANR-SUMWQHHRSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079209
C[C@H](c1cc2n(n1)CCCN(C2)C(=O)c1cccc2c1[nH]c(c2C)C)O	PC-id_99976366	352.43	NSZSWWFEGYRBQA-CQSZACIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079210
C[C@@H](c1cc2n(n1)CCCN(C2)C(=O)c1cccc2c1[nH]c(c2C)C)O	PC-id_99976369	352.43	NSZSWWFEGYRBQA-AWEZNQCLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079211
CCn1c(nc2c1cccc2)C(NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_101028208	352.43	GBYCLQAWBPCWNR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079212
CCNC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(cc1)C	SCHEMBL19702800	352.43	KDDAQZFJFCXROO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-079213
CC(O)c1cc2CN(CCCn2n1)C(=O)Cc1c(C)[nH]c2ccccc12	EMOLS-id_55610251,MCULE-1774387075,PC-id_91762655	352.43	KYMNROMPKPVPQE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079214
CCOC[C@@H]1CCn2nccc2CN1C(=O)c1cn(C)c2ccccc12	ZINC22_585098422	352.43	XXNXFPRJDWUFLR-INIZCTEOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079215
CCOC[C@H]1CCn2nccc2CN1C(=O)c1cn(C)c2ccccc12	ZINC22_585098423	352.43	XXNXFPRJDWUFLR-MRXNPFEDSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079216
CCOC[C@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2cncn2C1	PC-id_97476292,ZINC22_96208165	352.43	KIJRKWMHYJHMLN-HNNXBMFYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079217
CCOC[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2cncn2C1	PC-id_97476293,ZINC22_96208166	352.43	KIJRKWMHYJHMLN-OAHLLOKOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079218
CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)Cc2nccn2C1	ZINC22_1875406996	352.43	QOGPTVBTPMLYAW-ABSDTBQOSA-N	00100000100000110101100000000010000000000000000000000000	31-01-079219
CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@@]2(C)c2ccccc2)Cc2nccn2C1	ZINC22_1875406997	352.43	QOGPTVBTPMLYAW-QKLQHJQFSA-N	00100000100000110101100000000010000000000000000000000000	31-01-079220
CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@]2(C)c2ccccc2)Cc2nccn2C1	ZINC22_1875406998	352.43	QOGPTVBTPMLYAW-SQGPQFPESA-N	00100000100000110101100000000010000000000000000000000000	31-01-079221
CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@]2(C)c2ccccc2)Cc2nccn2C1	ZINC22_1875406999	352.43	QOGPTVBTPMLYAW-ZWOKBUDYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-079222
CN1CCC(C1=O)(Cc1ccccc1)C(=O)N1CCCc2c(C1)c[nH]n2	EMOLS-id_316655312	352.43	GVJPMNGLMJHJEC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079223
Cn1nc(C(C)(C)C)c2cc(C(=O)N3CCCc4occc4C3)cnc12	EMOLS-id_177255175,ZINC22_585084139,MCULE-4829256956	352.43	IXSGGFFIQPWALD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079224
CN(Cc1n[nH]c2c1CCCCC2)C(=O)C[C@H]1NC(=O)c2ccccc12	PC-id_95208132,ZINC22_67755403	352.43	KCJDFXZOXPBFLW-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079225
CN(Cc1n[nH]c2c1CCCCC2)C(=O)C[C@@H]1NC(=O)c2ccccc12	ZINC22_67755408,PC-id_95208134	352.43	KCJDFXZOXPBFLW-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079226
CN(C)CC1CCn2nccc2CN1C(=O)c1oc2ccccc2c1C	EMOLS-id_313816364	352.43	MKNHTGNAAZYMET-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079227
CN(C)CCC1CN(Cc2ccnn2C1)C(=O)c1cc2ccccc2o1	EMOLS-id_50375161	352.43	HPOONWKFFQEVPE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079228
CN(C)CC[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2ccnn2C1	ZINC22_248101250	352.43	HPOONWKFFQEVPE-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079229
CN(C)CC[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2ccnn2C1	ZINC22_248101251	352.43	HPOONWKFFQEVPE-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079230
CNC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)C	SCHEMBL19702785	352.43	RHQBNCMRVGAKMY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-079231
COc1c(C)cc(Cc2c3-c(nc(n3)N(C)C)ccn(C)c2=O)cc1C	CHEMBL1277942,PC-id_49837083	352.43	IOCZNTWKRGCARB-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-079232
COCC[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cccn2C1	ZINC22_585095491	352.43	TVUUQRCZFNONJC-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079233
COCC[C@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cccn2C1	ZINC22_585095492	352.43	TVUUQRCZFNONJC-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079234
n1c(CN2CCC3(CC2)c2ccccc2C(=O)O3)cc2CNCCCn12	ZINC22_72165226,MCULE-6049899166,EMOLS-id_43161938,PC-id_56910789	352.43	WXZLWWOVFXSEAC-UHFFFAOYSA-N	00000010100010100101000000000010000000000000000000000000	31-01-079235
O(c1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1OC)C(C)C	PC-id_78650372	352.43	VPDVEWPYESCSIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079236
O(c1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1OC)C(C)C	PC-id_8275457	352.43	VPDVEWPYESCSIF-FOWTUZBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079237
O(c1cc(/C=C(c2n3CCCCCc3nn2)/C#N)ccc1OCC)CC	PC-id_48836639	352.43	AUUGCVCZCUKFBB-VBKFSLOCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079238
O(c1cc(/C=C(c2n3CCCCCc3nn2)/C#N)ccc1OC)CCC	PC-id_51167042	352.43	OKUPHPARFZIFNJ-VBKFSLOCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079239
O(c1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1OC)CCC	PC-id_75619606	352.43	OKUPHPARFZIFNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079240
O(c1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1OCC)CC	PC-id_78905923	352.43	AUUGCVCZCUKFBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079241
O(c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1OC)CCC	PC-id_8275453	352.43	OKUPHPARFZIFNJ-FOWTUZBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079242
O=C1CCCN1Cc1ncn2c1CN(C(=O)Cc1ccccc1)CCC2	EMOLS-id_44370242,PC-id_97519431,ZINC22_96259347	352.43	XQFACJZCWMNSDU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079243
O(c1c(OC)cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)CCC	PC-id_51167038	352.43	NUVYIWGQRLTDEQ-VBKFSLOCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079244
O(c1c(OC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1)CCC	PC-id_75619603	352.43	NUVYIWGQRLTDEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079245
O(c1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)CCC	PC-id_8275339	352.43	NUVYIWGQRLTDEQ-FOWTUZBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079246
O=C(C1CC1)c1ccc(cc1)CNC(=O)N1CCCc2[nH]cnc2CC1	PC-id_20803124	352.43	JROCKDFKANVERR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-079247
O=C(C1=CCCCC1)N1Cc2ccnn2CC[C@@H]1COc1cccnc1	ZINC22_585098505	352.43	YXLVXTQZDIIYKX-GOSISDBHSA-N	00000000100011101101000000000010000000000000000000000000	31-01-079248
O=C(C1=CCCCC1)N1Cc2ccnn2CC[C@H]1COc1cccnc1	ZINC22_585098508	352.43	YXLVXTQZDIIYKX-SFHVURJKSA-N	00000000100011101101000000000010000000000000000000000000	31-01-079249
O=C(C1CCC=CC1)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	MCULE-8054159430,EMOLS-id_50592156,PC-id_91922555	352.43	UPWGHQWIEPCRGE-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-079250
O=C(c1noc2c1CCCCC2)NC(c1nc2c(n1C)cccc2)(C)C	EMOLS-id_101029093	352.43	UBWQFDMWGSZOGD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079251
O=C(c1noc2c1CCCCC2)NCc1nc2c(n1C(C)C)cccc2	EMOLS-id_101049835	352.43	JGXKLGNOWWIHBE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079252
O=C(c1noc2c1CCCCC2)NC(c1nc2c([nH]1)cccc2)C(C)C	EMOLS-id_100950429	352.43	AGCOZJIPEPLVGP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079253
O=C(Cc1ccccn1)N1CCc2ccc(C(=O)NCC3CC3)n2CC1	ZINC22_585111018,EMOLS-id_313778112	352.43	RSRVNJOHKYDHLV-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-079254
O=CCCc1ccc(cc1C)C(=O)N1C/C(=CC)/Nc2c(C1)cnn2C	PC-id_143188954	352.43	GTNRBRBRRIXUOI-JJPRUIFNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079255
OCC#Cc1cccc(c1)C(=O)NC(c1nnc2n1CCCCC2)CC	EMOLS-id_319062330	352.43	RWGJWITXKMYLRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079256
OCC#Cc1cccc(c1)C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_316707393	352.43	AIQNQAYTUWRHGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079257
O=C([C@H]1CCCN1C(=O)c1ccccc1)N1CCCc2c(C1)cnn2C	EMOLS-id_101678378	352.43	RUWOKWASCWSKES-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079258
O=C(Cn1nc2c(c1)C(=O)NCC(C2)(C)C)Nc1ccc2c(c1)CCC2	EMOLS-id_318158867	352.43	KFTKQJQETPXVAF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079259
O=C(N1Cc2ccnn2CCC1COc1cccnc1)C1=CCCCC1	EMOLS-id_313821218	352.43	YXLVXTQZDIIYKX-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-079260
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)CC1NC(=O)c2c1cccc2	EMOLS-id_316726830	352.43	IMEGHGJOXBZSPS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079261
O=C(N1CCCC1CC(=O)c1ccccc1)C1CCn2c(CC1)nnc2	MCULE-8208064834,EMOLS-id_258053246	352.43	WMBKXVUMGYELDI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079262
O=C(N1CCCn2c(C1)cc(n2)[C@H](O)C)Cc1c(C)[nH]c2c1cccc2	PC-id_99971900	352.43	KYMNROMPKPVPQE-CQSZACIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079263
O=C(N1CCCn2c(C1)cc(n2)[C@@H](O)C)Cc1c(C)[nH]c2c1cccc2	PC-id_99971901	352.43	KYMNROMPKPVPQE-AWEZNQCLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079264
O=C(NC1CCCC1)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_50798042	352.43	JWJZQCCJFQYDHV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079265
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCN(c2ccccc2)C1=O	CoCoCo_1503339,ZINC22_12305847,PC-id_42518749,CoCoCo_1503337	352.43	LDEQYPORVNJOIB-INIZCTEOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079266
O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CCN(c2ccccc2)C1=O	CoCoCo_1503340,PC-id_42518750,CoCoCo_1503338,ZINC22_12305848	352.43	LDEQYPORVNJOIB-MRXNPFEDSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079267
O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@@H]1CCc2nccn2CC1	ZINC22_1875323583	352.43	MNHCNAZRWNJYHB-GDBMZVCRSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079268
O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CCc2nccn2CC1	ZINC22_1875323584	352.43	MNHCNAZRWNJYHB-GOEBONIOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079269
O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CCc2nccn2CC1	ZINC22_1875323585	352.43	MNHCNAZRWNJYHB-HOCLYGCPSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079270
O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@@H]1CCc2nccn2CC1	ZINC22_1875323586	352.43	MNHCNAZRWNJYHB-ZBFHGGJFSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079271
OC(=O)c1nn2CCCN(C(CCc3c4c([nH]c3)cccc4)C)Cc2c1	PC-id_50951643	352.43	GDOFWQQTIHFWBU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079272
CCOC1CC(C1(C)C)(CO)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168844	352.432	LXPYAIZFYZXJLV-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-079273
CCOC1CC(C1(C)C)(O)CNC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168880	352.432	KIDQTZSSVXCTHC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-079274
c12c(C)cccn1c(cn2)CNC(=O)CCc1cc2n(CCCNC2)n1	PC-id_70710847,MCULE-3710875143,EMOLS-id_43065957,ZINC22_72419671	352.433	NKAWTGUTUJUDHM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079275
c12c(ccnc1n(c(C)n2)C)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_337697486,ZINC22_2100534721,MCULE-9694482801	352.433	VTMBKHIRWWGXPW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079276
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(cc1)C#N	MCULE-6383893757,ZINC22_82107767,PC-id_70733226,EMOLS-id_44433523	352.433	MDHSNJNWUHGAFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079277
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cccc(c1)C#N	PC-id_70761999,MCULE-6451564559,EMOLS-id_44443509,ZINC22_82134528	352.433	PSKUWEYOYZKOGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079278
c12nc(C)cc(C(=O)NCc3c4CCCCCc4[nH]n3)c1c(nn2C)C	ZINC22_670445421,MCULE-2218097034,EMOLS-id_222762642	352.433	JELNKSAEFYUGOG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079279
c1(CN(C)C(=O)NCc2cnc3ccccn23)c2CCCCCc2[nH]n1	ZINC22_426627856,PC-id_121509506,EMOLS-id_177478003,MCULE-4313259993	352.433	VNLNUXNKOWASKX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079280
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)[nH]nc(c2cccn2C)c1	PC-id_50967358,EMOLS-id_32404556,MCULE-6399899564,ZINC22_67678930	352.433	FRODZDKDWVIMFR-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-079281
Cc1ccc2c(c1)nc(n2C)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101703512	352.433	DLSLZJQEHHVQJV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079282
Cc1cccc(c1)C1=CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102167005	352.433	VISZWKWNMYLBNZ-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-079283
Cc1ccc(CN2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)o1	ZINC22_306126630	352.433	FAPSOWGQLPPGDP-INIZCTEOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079284
Cc1ccc(CN2Cc3ccnn3C[C@H](CCNc3ncccn3)C2)o1	ZINC22_306126631	352.433	FAPSOWGQLPPGDP-MRXNPFEDSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079285
Cc1ccc(CN2CC(CCNc3ncccn3)Cn3nccc3C2)o1	EMOLS-id_50371143	352.433	FAPSOWGQLPPGDP-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079286
Cc1cc(C(=O)N2CCCc3c(C2)cnn3C)c2c(n1)n(nc2)C(C)C	EMOLS-id_101669200	352.433	NAWMGRLTBZVLRM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079287
Cc1cc(n(n1)C)CN1CCn2c(CC1)nn(c2=O)Cc1ccccc1	PC-id_91922563,MCULE-8092173751,EMOLS-id_50586647	352.433	WDIQPRBUVXQKQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079288
Cc1cnc2c(c1)cnn2CC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	MCULE-5948174328,EMOLS-id_320288831	352.433	YZPASHBGPRSMGX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079289
Cc1nc2n(c1)ccc(c2)C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_319132934	352.433	ZGKLDUHQAZKUPB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079290
CC(C)c1nnc(CN2CCc3nnc(Cc4ccccc4)n3CC2)o1	MCULE-2771005000,EMOLS-id_55678765,ZINC22_244899725,PC-id_91839375	352.433	ZOZGKTHXAYSDLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079291
CC(C)c1noc(CN2CCc3nnc(Cc4ccccc4)n3CC2)n1	PC-id_91842965,MCULE-1741855617,EMOLS-id_55703500,ZINC22_244787696	352.433	QBWVCSWEYOTPCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079292
CC(C)n1cc2cc(NC(=O)N3CCCc4c(cnn4C)C3)ccc2n1	EMOLS-id_316207401,ZINC22_519117034,MCULE-6096337246	352.433	DQNFNQQJWSGIDU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079293
CCn1cc(CN2Cc3ccnn3C[C@@H](OCc3ccncc3)C2)cn1	ZINC22_306136958	352.433	QHKXQUCQWPEIFD-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-079294
CCn1cc(CN2Cc3ccnn3C[C@H](OCc3ccncc3)C2)cn1	ZINC22_306136959	352.433	QHKXQUCQWPEIFD-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079295
CCn1cc(CN2CC(Cn3nccc3C2)OCc2ccncc2)cn1	EMOLS-id_50376831	352.433	QHKXQUCQWPEIFD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079296
Cn1cc(CN2Cc3ccnn3C[C@H](COCc3ccccn3)C2)cn1	PC-id_97381896,ZINC22_96059243	352.433	LUGHMCAWUOBXNA-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079297
Cn1cc(CN2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)cn1	PC-id_97381897,ZINC22_96059244	352.433	LUGHMCAWUOBXNA-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079298
Cn1cc(CN2Cc3ccnn3C[C@H](COCc3cccnc3)C2)cn1	ZINC22_96059235,PC-id_97381888	352.433	CPDVYCZDQQEOJO-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079299
Cn1cc(CN2Cc3ccnn3C[C@@H](COCc3cccnc3)C2)cn1	ZINC22_96059236,PC-id_97381889	352.433	CPDVYCZDQQEOJO-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079300
Cn1cc(CN2Cc3nccn3C[C@@H](COCc3ccccn3)C2)cn1	PC-id_97381815,ZINC22_96059162	352.433	VOOLMSBANTWXCJ-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079301
Cn1cc(CN2Cc3nccn3C[C@H](COCc3ccccn3)C2)cn1	ZINC22_96059161,PC-id_97381814	352.433	VOOLMSBANTWXCJ-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079302
Cn1cc(CN2Cc3nccn3C[C@H](COCc3cccnc3)C2)cn1	PC-id_97381796,ZINC22_96059143	352.433	FSZIQVWIPYKECU-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079303
Cn1cc(CN2Cc3nccn3C[C@@H](COCc3cccnc3)C2)cn1	ZINC22_96059144,PC-id_97381797	352.433	FSZIQVWIPYKECU-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079304
Cn1cc(CN2CC(COCc3ccccn3)Cn3ccnc3C2)cn1	EMOLS-id_46148511	352.433	VOOLMSBANTWXCJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079305
Cn1cc(CN2CC(COCc3ccccn3)Cn3nccc3C2)cn1	EMOLS-id_46148593	352.433	LUGHMCAWUOBXNA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079306
Cn1cc(CN2CC(COCc3cccnc3)Cn3ccnc3C2)cn1	EMOLS-id_46148493	352.433	FSZIQVWIPYKECU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079307
Cn1cc(CN2CC(COCc3cccnc3)Cn3nccc3C2)cn1	EMOLS-id_46148585	352.433	CPDVYCZDQQEOJO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079308
CN(Cc1cnn(c2ccccc2)c1)Cn1nc2n(c1=O)CCCCC2	PC-id_17499048,CoCoCo_4479165,MCULE-8537345926,EMOLS-id_16674994,ZINC22_10913575,CoCoCo_4479166	352.433	FQCJQZPZMVTOJK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079309
COc1cccc(CN2CCCn3cnc(Cn4nncc4C)c3C2)c1	ZINC22_2055714479,EMOLS-id_313730268	352.433	BXHGVLIGUUFZQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079310
n12CCCNCc1cc(CCC(=O)Nc1cccc(c1)C1=NCCN1)n2	PC-id_70759798,ZINC22_72456880,MCULE-4130161304,EMOLS-id_43146596	352.433	KWMGWCPOCOBENJ-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-079311
o1nc(nc1c1ccccc1)CN1CCCn2nc(cc2C1)CN(C)C	PC-id_56900614	352.433	GSCWXYXOBASRCW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079312
O=C(c1cc2cnn(c2nc1C)C(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101669212	352.433	NPNRRSYXLAQQKF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079313
O=C(C1CCc2n(CC1)cnn2)NCCCc1nc2c(n1C)cccc2	EMOLS-id_320006692,MCULE-9481572778	352.433	AMSHJNRJJMTSGY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079314
O=C(C1=CCCC1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_306142503	352.433	XBBOWWMLPLMWLH-HNNXBMFYSA-N	00000011100000100101000000000010000000000000000000000000	31-01-079315
O=C(C1=CCCC1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_306142504	352.433	XBBOWWMLPLMWLH-OAHLLOKOSA-N	00000011100000100101000000000010000000000000000000000000	31-01-079316
O=C(C1=CCCCC1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_306144694	352.433	ZMHIZTWOZPSYTB-HNNXBMFYSA-N	00000000100011100101000000000010000000000000000000000000	31-01-079317
O=C(C1=CCCCC1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_306144695	352.433	ZMHIZTWOZPSYTB-OAHLLOKOSA-N	00000000100011100101000000000010000000000000000000000000	31-01-079318
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)n(nc2)C(C)C	EMOLS-id_101967228	352.433	VIOAMARSSIESQY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079319
O=C(N1CC(CCNc2ncccn2)Cn2nccc2C1)C1=CCCC1	EMOLS-id_50375983	352.433	XBBOWWMLPLMWLH-UHFFFAOYSA-N	00000011100000100101000000000010000000000000000000000000	31-01-079320
O=C(N1CC(CNc2ncccn2)Cn2nccc2C1)C1=CCCCC1	EMOLS-id_50374895	352.433	ZMHIZTWOZPSYTB-UHFFFAOYSA-N	00000000100011100101000000000010000000000000000000000000	31-01-079321
O=C(N(C1CCc2n(CC1)c(nn2)C)C)CCc1nc2c([nH]1)cccc2	EMOLS-id_97099864,MCULE-3017529097	352.433	NQVLHTOQODTYKJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079322
O=C(NCc1n2CCCCCc2nn1)Cn1c2c(nc1CC)cccc2	PC-id_51266339	352.433	XIPLWIOBFGNIJJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079323
O=C(NCc1nn2CCCN(Cc2c1)Cc1c(cccc1)C#N)N(C)C	PC-id_70747330	352.433	GYWMEPOEUIYKRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079324
O=C(N(CCCc1nc2c([nH]1)cccc2)C)C1CCc2n(CC1)cnn2	EMOLS-id_319181906	352.433	FMZUJOSJOYFZDG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079325
s1c2CCCCCCc2cc1C(=Nc1nc([nH]n1)c1ncccc1)[O-]	PC-id_52685625	352.433	AZRDKSNYZDHORG-UHFFFAOYSA-M	00000000100000101101100000000010000000000000000000000000	31-01-079326
O=C(c1cc(Br)c2-c1ccccc2)C(Cl)(Cl)Cl	PC-id_71675978,CNP0477428	352.438	ZEOIRMNJYUCZJN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-079327
c1ccc(cc1)c1ccc(cc1)COCC1COc2c(OC1)csc2	PC-id_101458768	352.447	CMDDVRBPJADNMH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079328
CCCCn1nnc2c1CCCCCC2(F)C(=O)NCCCC(=O)C	PC-id_121405547,SCHEMBL17833072	352.447	VRBXDNBIANDALQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079329
c1(NC(=O)CN2CCOCC2)sc2c(CCCCC2)c1C(=O)OC	ZINC22_19902863,PC-id_2239010,MCULE-1457176476,CoCoCo_3566447,EMOLS-id_3005224	352.448	IIZOPRNUNYVVMM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079330
CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCCCCC2	CoCoCo_2876708,ZINC22_9813347,PC-id_41226597	352.448	VKEFNFMENUDHNU-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079331
CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCCCC2	ZINC22_9813354,PC-id_41226602,CoCoCo_2876709	352.448	VKEFNFMENUDHNU-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-079332
CCNC(=O)NC(=O)C(OC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_16512674,EMOLS-id_43708949,MCULE-3366091143	352.448	VKEFNFMENUDHNU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079333
CCOC(=O)C1=CN(CC(c2c1scn2)(C)C)C(=O)OC(C)(C)C	SCHEMBL19659973	352.448	LYYGWMSZUYIUNN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-079334
CCOC(=O)c1c(N)sc2c1CCCN(C2=O)CC1CCCCO1	PC-id_59379324,SCHEMBL13154909	352.448	ROJAHPOBNHEPJV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-079335
CCOC(=O)CCC(=O)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_24022885,CoCoCo_3415964,MCULE-5371029293,PC-id_9089391	352.448	SQXQVZPLHYKBMV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079336
CC(=O)NCCN(C(=O)c1cc2c(s1)CCCCC2)C(C(=O)O)C	MCULE-6751609947,PC-id_120287277,EMOLS-id_72118540	352.448	XWGLUMXSHILTDV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079337
COC(=O)c1c(NC(=O)N2CCC(CC2)O)sc2c1CCCCC2	EMOLS-id_110264067	352.448	HDCPJMKSMUMEPS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-079338
COC(=O)c1c(NC(=O)N2CCCC(C2)O)sc2c1CCCCC2	EMOLS-id_110264112	352.448	SOQFZULFEVVFLE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-079339
COC(=O)c1c(NC(=O)N2CCOC(C2)C)sc2c1CCCCC2	EMOLS-id_110264091	352.448	FBMDIYWYIQGACH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079340
O=C(N1CC(C1)S(=O)(=O)N1CCCc2c(C1)cco2)C1CCCC1	EMOLS-id_99299401	352.448	RHXINKHLNKFJJU-UHFFFAOYSA-N	00001010100000000100000000000010000000000000000000000000	31-01-079341
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC(=O)NCCC	PC-id_9403059	352.448	GQNQZVMAPLVEOW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079342
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC(=O)NC(C)C	PC-id_9403128	352.448	LAAVNHLAHTWMEP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079343
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NC(C)(C)C	PC-id_16509382	352.448	TUOWJYBUNQEHOJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079344
s1c2CCCCCc2cc1C(=O)OC(C(=O)NC(=O)NC(C)C)C	PC-id_24496545	352.448	ORBVYKUOBCQJKA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079345
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NCC(C)C	PC-id_2668995	352.448	KAUVEFJLKAGEPN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079346
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NC(CC)C	PC-id_78518128	352.448	CNLPISUQJRBELM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079347
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NCCCC	PC-id_8254642	352.448	HOZMICFXUDZPNF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079348
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)N[C@@H](CC)C	PC-id_7650101	352.448	CNLPISUQJRBELM-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079349
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)N[C@H](CC)C	PC-id_7650103	352.448	CNLPISUQJRBELM-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-079350
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)NC(=O)NC(C)C)C	PC-id_8254890	352.448	ORBVYKUOBCQJKA-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079351
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)NC(=O)NC(C)C)C	PC-id_8254891	352.448	ORBVYKUOBCQJKA-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-079352
s1c2c(CCCCC2)c(c1NC(=O)CCCC)C(=O)NC(=O)OC	PC-id_7521884	352.448	AQZHOOZNZNGNJO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079353
s1c2c(CCCCC2)c(c1NC(=O)C(C)(C)C)C(=O)NC(=O)OC	PC-id_7521885	352.448	PGHVIXGOMMJSCO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079354
s1c2c(CCCCC2)c(c1NC(=O)C(C)C)C(=O)NC(=O)OCC	PC-id_7521926	352.448	XRPAWEBLKSZWFI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079355
s1c2CCCCCCc2cc1C(=O)OC(C(C)C)C(=O)NC(=O)N	PC-id_45655415	352.448	IFWKVYYHMHLSOF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079357
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)NC(C)C	PC-id_16512662	352.448	GCJQANBNLNPIGD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079358
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)NCCC	PC-id_7618510	352.448	BSQSPHZDKRQVNO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079359
s1c2CCCCCCc2cc1C(=O)O[C@@H](C(C)C)C(=O)NC(=O)N	PC-id_7618517	352.448	IFWKVYYHMHLSOF-AWEZNQCLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079360
s1c2CCCCCCc2cc1C(=O)O[C@H](C(C)C)C(=O)NC(=O)N	PC-id_7618521	352.448	IFWKVYYHMHLSOF-CQSZACIVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079361
s1c2c(CCN(C(C)C)C=C(C2)C(=O)OC)c(c1N)C(=O)OCC	PC-id_49877713	352.448	IDLUCUMYVCLTBS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-079362
N#Cc1c(NC(=O)c2ccc3c(c2)COC3)sc2c1CCCCCC2	MCULE-9957617370,PC-id_71935088,ZINC22_64394252,EMOLS-id_45644407	352.45	QOXIPROFPGCRPV-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-079363
s1c2CCCCCc2c(c1NC(=O)C=Cc1ccc(OC)cc1)C#N	PC-id_4052810	352.45	PJUZFOOQYMWDMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079364
s1c2CCCCCc2c(c1NC(=O)/C=C/c1ccc(OC)cc1)C#N	PC-id_5998544	352.45	PJUZFOOQYMWDMI-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079365
C1CCC(CC1)SCCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135096124	352.452	QPLQKVBBCUJJHE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079366
c1(NC(=O)CCC(=O)NCCCNC=O)sc2c(CCCCC2)n1	MCULE-4329252495,EMOLS-id_334922468	352.452	ZTGIGGSIKGAXLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079367
Cc1cc(CN2Cc3cccn3C[C@@H](CCNS(=O)(=O)C)C2)no1	ZINC22_585095551	352.452	WQCVYKUSSJNWKS-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079368
Cc1cc(CN2Cc3cccn3C[C@H](CCNS(=O)(=O)C)C2)no1	ZINC22_585095552	352.452	WQCVYKUSSJNWKS-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079369
Cc1cc(CN2CC(CCNS(=O)(=O)C)Cn3cccc3C2)no1	EMOLS-id_313836323	352.452	WQCVYKUSSJNWKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079370
CC(C)NC(=O)N1CCc2nc(C(=O)N3CCOCC3)sc2CC1	PC-id_97524718,ZINC22_96264785,EMOLS-id_44379404	352.452	DRDXCDMNVGXXMK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079371
CC(=O)NCCNC(=O)CCC(=O)Nc1nc2CCCCCc2s1	EMOLS-id_334911203,MCULE-1489763840	352.452	GCUJDASIUYVVBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079372
CCS(=O)(=O)NCC[C@H]1CN(Cc2ccoc2)Cc2ccnn2C1	ZINC22_253489429	352.452	FFIHIOQZQFSLPF-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079373
CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccoc2)Cc2ccnn2C1	ZINC22_253489430	352.452	FFIHIOQZQFSLPF-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079374
COC(=O)N1CCCN(C(=O)Nc2nc3c(s2)CCCCC3)CC1	ZINC22_170611545,PC-id_91642007,MCULE-4142048922,EMOLS-id_50313433	352.452	AZWNKZMODJMWTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079375
CS(=O)(=O)NCC1CCn2nccc2CN1C(=O)C1=CCCCC1	EMOLS-id_313817128	352.452	COGVCUJJBAUSNN-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-079376
c1(ccc2CN(CCCn12)Cc1ccccc1)C(=O)N1CCN(CC1)C	EMOLS-id_317418074,MCULE-6490901805	352.473	YUNZSTDBNYEUHE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079438
CS(=O)(=O)NC[C@@H]1CCn2nccc2CN1C(=O)C1=CCCCC1	ZINC22_585096768	352.452	COGVCUJJBAUSNN-AWEZNQCLSA-N	00000000100011000101000000000010000000000000000000000000	31-01-079377
CS(=O)(=O)NC[C@H]1CCn2nccc2CN1C(=O)C1=CCCCC1	ZINC22_585096769	352.452	COGVCUJJBAUSNN-CQSZACIVSA-N	00000000100011000101000000000010000000000000000000000000	31-01-079378
O=C(C1CCC1)N1CCCn2nc(CNS(=O)(=O)C3CC3)cc2C1	EMOLS-id_44447781,ZINC22_82146789,PC-id_70774411,MCULE-9117602020	352.452	BGJOGKUDRGPPRY-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-079379
O=C([C@@H]1CCCN1C(=O)c1cnc2n1CCCCC2)N=S(=O)(C)C	EMOLS-id_258103290,MCULE-8911411123	352.452	SSILHDVAZGFVKW-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-079380
O=C([C@@H]1CCCN1C(=O)c1n[nH]c2c1CCCCC2)N=S(=O)(C)C	EMOLS-id_258103506,MCULE-1308266033	352.452	ZTRZSPDYKNSOEB-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-079381
O=C(N1CCN(CC1)C(=O)C(O)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110564973	352.452	LMRYWXAFDMXYOK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079382
O=C(Nc1nc2c(s1)CCCCC2)NCC(CN1CCCC1=O)O	PC-id_102554338	352.452	KXZKARHCXUWQHD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-079383
O=C(Nc1sc2c(n1)CCCCCC2)NCC(=O)N1CCOCC1	EMOLS-id_111890451	352.452	UQKPFFFLBJEBKX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079384
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)N)C(C)C	PC-id_9163624	352.452	OCMFLYQCYGSANC-ZDUSSCGKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079385
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC(=O)N)C(C)C	PC-id_84942059	352.452	OCMFLYQCYGSANC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079386
S(CC(=O)N1CCC(CC1)C(=O)OC)c1n2CCCCCc2nn1	PC-id_7876798	352.452	FTJUJJCHUSEXKR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079387
c1(cnn(c2ccccc2)c1C)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-3455968710,EMOLS-id_323408235	352.453	GKAANNMRQFIZIQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079388
c1(C(=O)Nc2sc3c(CCCCC3)n2)cc(nn1C)c1ccccc1	EMOLS-id_323277017,MCULE-5813704698	352.453	BAARGLAREVAERG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079389
c1(C(=O)NCc2cccc(c2)c2sccn2)c2CCCCCc2[nH]n1	MCULE-2639273772,EMOLS-id_323253681	352.453	KNECSCWSBBHNGR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079390
Cn1cnc(n1)c1cccc(c1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_99299092	352.453	CHCNSSMTCSHTLM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079391
Cn1cnc(n1)c1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_99419713	352.453	VLGAISDLIDCUGS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079392
Cn1nc(cc1NC(=O)c1cc2c(s1)CCCCC2)c1ccncc1	EMOLS-id_99768062	352.453	GGROOOJRFFOZST-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-079393
O=C(C1CCN(CC1)c1ccccn1)Nc1nsc2c1C=CC=CC2	PC-id_143235408	352.453	ZJPWAKUBMKIMPI-UHFFFAOYSA-N	00000000100010101111100000000010000000000000000000000000	31-01-079394
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1c1cccs1	MCULE-1487587464,EMOLS-id_316208934	352.453	VHSPVVJRLHEOOG-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-079395
O=C(Nc1ccccc1n1cncn1)c1cc2c(s1)CCCCCC2	EMOLS-id_27402522,MCULE-5320802090,PC-id_32311895,CoCoCo_4780064,ZINC22_25003180	352.453	WNQNIIIBBMVLFE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079396
Brc1cc(C(=O)c2sc3CCCCCc3c2)ccc1F	PC-id_79735679	353.249	JMJAJDHHSAVJCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079644
O=C(Nc1c[nH]nc1c1ccccn1)c1cc2c(s1)CCCCCC2	MCULE-7548549078,ZINC22_155539788,EMOLS-id_100609658	352.453	BYLLIRSEDQGABL-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-079397
O=C(Nc1nc2c(s1)CCCCC2)c1cnn(Cc2ccccc2)c1	EMOLS-id_15277490,MCULE-2967087411,PC-id_17488709,CoCoCo_4546222,ZINC22_12829144	352.453	SKIUXYNKHUDZKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079398
O=C(Nc1nc2c(s1)CCCCCC2)c1cccc(n2ccnc2)c1	PC-id_99808913,EMOLS-id_50323058,ZINC22_170630259,MCULE-3151444098	352.453	LXZZJPKMKMEOCS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079399
O=C(NCc1nnc2n1CCCCC2)c1sccc1c1ccccc1	PC-id_47014550,MCULE-3969002717,ZINC22_48264892,EMOLS-id_30666727	352.453	NSQBWGSUBRCVGP-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-079400
O=C(NCc1nncn1c1ccccc1)c1cc2c(s1)CCCCC2	MCULE-2965197714,PC-id_75403098,EMOLS-id_48772625,ZINC22_47930476	352.453	FBWGAVANDCADAL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079401
s1c2CCCCCc2cc1C(=O)NCc1c(n2nccc2)nccc1	PC-id_32103349	352.453	GSWUOPDHEFQNOQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-079402
s1c2CCCCCc2nc1NC(=O)c1ccc(n2nccc2C)cc1	PC-id_30217114	352.453	PKQIBEGSFHAQMU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079403
s1c2CCCCCc2nc1NC(=O)c1nn(c(c1)C)c1ccccc1	PC-id_55758828	352.453	BIXJFBDLEPAQAN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079404
s1c2CCCCCc2nc1NC(=O)C(n1nccc1)c1ccccc1	PC-id_56227539	352.453	JIKURDRVNYXCFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079405
s1c2CCCCCCc2nc1NC(=O)c1ccc(n2nccc2)cc1	PC-id_56022236	352.453	HTFNECLNTMOSCD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079406
s1c2CCCCCCc2nc1NC(=O)c1c([nH]nc1)c1ccccc1	PC-id_56022235	352.453	UBSNFFTZBRQRKF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079407
s1c2CCCCCCc2nc1NC(=O)c1cn(nc1)c1ccccc1	PC-id_56022497	352.453	GZAOHBJBQMKWOY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079408
s1c2CCCCCCc2nc1NC(=O)c1nn(c2ccccc2)cc1	PC-id_56021216	352.453	SNENDFCJRKWGQX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079409
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1nccn1CC	EMOLS-id_44444139,ZINC22_82136732,PC-id_70763757,MCULE-7046199686	352.455	DQXUPMAAHKFYFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079410
Cc1c(CN2Cc3ccnn3CCC2CNS(=O)(=O)C)cnn1C	EMOLS-id_313818920	352.455	QEROXRNCHYKVGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079411
Cc1c(CN2Cc3ccnn3CC[C@H]2CNS(=O)(=O)C)cnn1C	ZINC22_585097796	352.455	QEROXRNCHYKVGV-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079412
Cc1c(CN2Cc3ccnn3CC[C@@H]2CNS(=O)(=O)C)cnn1C	ZINC22_585097797	352.455	QEROXRNCHYKVGV-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079413
CCn1cc(CN2Cc3ccnn3C[C@@H](CNS(=O)(=O)C)C2)cn1	ZINC22_306130134	352.455	IXFFDYYOPYSUDA-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079414
CCn1cc(CN2Cc3ccnn3C[C@H](CNS(=O)(=O)C)C2)cn1	ZINC22_306130135	352.455	IXFFDYYOPYSUDA-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079415
CCn1cc(CN2CC(CNS(=O)(=O)C)Cn3nccc3C2)cn1	EMOLS-id_50373279	352.455	IXFFDYYOPYSUDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079416
O=C(C1CSCN1C(=O)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102160369	352.455	DKKOHJXSAXOZMO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-079417
FC(C1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2)C(=O)N	EMOLS-id_279009958	352.467	MTCFPFCJAMGJSN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-079418
O=C(c1c2-c(c(c1)C)cc(C(C)C)ccc2C)c1c2-c(cc1)ccccc2	PC-id_86169997	352.468	XOUWSSAODBRALY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-079419
CC[C@@H]([C@@H](C(=O)C)NC(=O)Cc1c[nH]c2c1C=C(CC=C2)C(=C)C=C)C	PC-id_143041572	352.47	OESSUORIBIIHSC-NYHFZMIOSA-N	00000000100000000110000000000010000000000000000000000000	31-01-079420
COCCC1CN(Cc2cccn2C1)C(=O)CC1Cc2ccccc2C1	EMOLS-id_313836071	352.47	BCLHJRZKADLJBZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079421
COCC[C@@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2cccn2C1	ZINC22_585095043	352.47	BCLHJRZKADLJBZ-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079422
COCC[C@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2cccn2C1	ZINC22_585095044	352.47	BCLHJRZKADLJBZ-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079423
C=C(c1c[nH]c2=CC=CCC=c12)C(c1ccccc1)Nc1ccccc1C	SCHEMBL21228614,PC-id_139374544	352.471	IVZOHKGSICEGCR-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-079424
N(=Nc1c2-c(cc1)ccccc2)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_86123515	352.471	NURPOLOFUYKABP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-079425
CC(C)[C@@H](COc1c2CN(CCCc2nn1C)C(=O)OC(C)(C)C)N	PC-id_136590239	352.472	CVAXECUFULXAPM-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079426
CCOc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807936	352.472	CJKVRPZOUQHVEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079427
CCOC(=O)CSCC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-8824332924,PC-id_4140159,SPECS-id_AN-153/I189203	352.472	IXVLMHHNCNZZBQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079428
COc1ccc(cc1C)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112823124	352.472	QMHQNWXLHDEVAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079429
N#Cc1c(NC(=O)C2CCS(=O)(=O)C2)sc2c1CCCCCC2	EMOLS-id_98152803	352.472	PESGMBWJUXJUNU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-079430
N#Cc1c(sc2c1CCCCCC2)NC(=O)C1(CC1)S(=O)(=O)C	EMOLS-id_111348435	352.472	HZECJRSJUWVKQK-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-079431
s1c2CCCCCc2c(c1NC(=O)C(SCC(=O)OC)C)C#N	PC-id_24497457	352.472	SUAXNGJTHXCNPW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079432
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)Cc1ccccc1C	EMOLS-id_46082961,MCULE-1321667254,ZINC22_91892740,PC-id_72917557	352.473	FYBNUINCYGEJHF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-079433
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)CCc1ccccc1	MCULE-1392796451,ZINC22_91416834,EMOLS-id_46025675,PC-id_72838529	352.473	DQPMTKKCKBEESS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-079434
c12C(=O)NCC(C)(C)Cc1[nH]c(CC1CCN(Cc3ccccc3)C1)n2	MCULE-1491166315,PC-id_72913526,EMOLS-id_46637928	352.473	ULUCMGWPBNPXSJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079435
C1(c2ccccc2)(CN(C)C(=O)c2cc3n(CCCNC3)n2)CC1(C)C	MCULE-5421758582,PC-id_50970705,EMOLS-id_32410870	352.473	NFZGDLSXZVGDAD-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-079436
c1(cc2n(CCCN(C)C2)n1)C(=O)N1CCCC1CCc1ccccc1	MCULE-7998818934,EMOLS-id_32395484,PC-id_50962535	352.473	SHUTUJMACUPLEG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079437
C1CCC(C1)CN1CCc2ncc(n2CC1)C(=O)NCc1ccccc1	PC-id_134806203	352.473	MLYZFGPJHLANSJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079439
c1(C(=O)N2CCN(CC2)c2cccc(C)c2C)c2CCCCCc2[nH]n1	MCULE-4583893382,EMOLS-id_334776872	352.473	GODWQKTXARCWKI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079440
c1(C(=O)N2CCN(CC2)Cc2ccc(cc2)C)c2CCCCCc2[nH]n1	EMOLS-id_334788393,MCULE-7534679999	352.473	RIGBEKRZOCVGID-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079441
c1(C(=O)Nc2ccc(cc2)N2CCC(CC2)C)c2CCCCCc2[nH]n1	EMOLS-id_335096580,MCULE-5877476418	352.473	XKGQQAWHOWVFSB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079442
c1(C(=O)NC2CCN(CC2)Cc2ccccc2)c2CCCCCc2n[nH]1	EMOLS-id_50401800,MCULE-4013439399,EMOLS-id_49245317,PC-id_75488706,ZINC22_96222999,STOCK7S-45385	352.473	MULKSWXLFKYUTD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079443
Cc1ccc(cc1)CC1CCCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_318982907	352.473	KGYGDBRGXDFRIX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079444
Cc1ccc(cc1)CC1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	MCULE-7653243234,EMOLS-id_320109877	352.473	CLTYCMGLQIFXOD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079445
Cc1ccc(c(c1)C)C1(CNC(=O)N2CCCc3c(C2)cnn3C)CC1	EMOLS-id_318172509	352.473	ISRCKPVHHKUKIH-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-079446
Cc1ccccc1CC(=O)N1Cc2ccnn2CCC1CN1CCCC1	EMOLS-id_313818667	352.473	MIYQEONOSHYHFY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079447
Cc1ccccc1CC(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1	ZINC22_585097493	352.473	MIYQEONOSHYHFY-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-079448
Cc1ccccc1CC(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1	ZINC22_585097496	352.473	MIYQEONOSHYHFY-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079449
Cc1ccc(cc1C)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	EMOLS-id_44370126,PC-id_97519375,ZINC22_96259291	352.473	MDANGDVVPZMCJD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079450
Cc1ccccc1CN1CCN(CC1)C(=O)c1n[nH]c2CCCCCc12	EMOLS-id_334819114,MCULE-7811195113	352.473	BLNFVGPFUQCNAY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079451
Cc1cc(C)cc(C2(C(=O)NCc3nnc4n3CCCCC4)CCC2)c1	MCULE-4384624226,EMOLS-id_48218392,ZINC22_55033962,PC-id_75404372	352.473	HXATZILMIYLFDZ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-079452
Cc1cccc(CN2CCN(CC2)C(=O)c2n[nH]c3CCCCCc23)c1	MCULE-9331917770,EMOLS-id_334806306	352.473	JEXRFUSDLLGXDO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079453
Cc1ccc(CC(=O)N2CCCn3cnc(CN4CCCC4)c3C2)cc1	ZINC22_96259289,PC-id_97519373,EMOLS-id_44370122	352.473	LPPUFBXSFHOXRB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079454
CC1(C)CNC(=O)c2nc(C[C@@H]3CCN(Cc4ccccc4)C3)[nH]c2C1	ZINC22_95381930	352.473	ULUCMGWPBNPXSJ-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079455
CC1(C)CNC(=O)c2nc(C[C@H]3CCN(Cc4ccccc4)C3)[nH]c2C1	ZINC22_95381931	352.473	ULUCMGWPBNPXSJ-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079456
CCc1ccc(cc1)C1CCCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319344950	352.473	IHXSURKFJAKYSG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079457
CC(c1ccc(cc1)CN(C(=O)C1CCn2c(CC1)nnc2)C1CC1)C	EMOLS-id_316537465	352.473	RHTVTKQZMUOJRU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-079458
CCc1ccc(cc1)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	EMOLS-id_44370124,ZINC22_96259290,PC-id_97519374	352.473	TYKYMYJUZUYERR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079459
CC(C)c1nnc2CCN(Cc3ccc(cc3)C#CC(C)(C)O)CCn12	PC-id_26363731,CoCoCo_1630788,EMOLS-id_20739187,MCULE-5400947713,CoCoCo_1630789,ZINC22_15009194	352.473	SRQZIWPMFSJOHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079460
CC[C@H](c1cc2n(n1)CCCN(C2)Cc1cccc2c1[nH]c(c2C)C)O	PC-id_99974331	352.473	SPRGGCIRCWYXGS-HXUWFJFHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079461
CC[C@@H](c1cc2n(n1)CCCN(C2)Cc1cccc2c1[nH]c(c2C)C)O	PC-id_99974332	352.473	SPRGGCIRCWYXGS-FQEVSTJZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079462
CCCN1CCCn2nc(CNC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2C1	ZINC22_212463917	352.473	AIGBOEGVMRNEJX-UXHICEINSA-N	00100000100000110101100000000010000000000000000000000000	31-01-079463
CCCN1CCCn2nc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2C1	ZINC22_82106872,EMOLS-id_44432495,MCULE-5911050685,PC-id_70730307	352.473	AIGBOEGVMRNEJX-VQTJNVASSA-N	00100000100000110101100000000010000000000000000000000000	31-01-079464
CCC(O)c1cc2CN(Cc3cccc4c(C)c(C)[nH]c34)CCCn2n1	EMOLS-id_55645244,PC-id_91775003,MCULE-9104116200	352.473	SPRGGCIRCWYXGS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079465
CN1CCCn2nc(C(=O)N3CCC[C@@H]3CCc3ccccc3)cc2C1	ZINC22_65399264,PC-id_95126660	352.473	SHUTUJMACUPLEG-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079466
CN1CCCn2nc(C(=O)N3CCC[C@H]3CCc3ccccc3)cc2C1	ZINC22_65399265,PC-id_95126661	352.473	SHUTUJMACUPLEG-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079467
CN(C1CCCCC1c1ccccc1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278174334	352.473	CLBGPJDVBAWSRI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079468
CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)c1cc2n(n1)CCCNC2	ZINC22_65431230,PC-id_95132395	352.473	NFZGDLSXZVGDAD-OAQYLSRUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-079469
CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1cc2n(n1)CCCNC2	ZINC22_65431233,PC-id_95132396	352.473	NFZGDLSXZVGDAD-NRFANRHFSA-N	00100000100000110101100000000010000000000000000000000000	31-01-079470
n12CCCNCc1cc(CNC(=O)C1(CCCCC1)c1ccccc1)n2	ZINC22_82125689,MCULE-3225587701,PC-id_70755550,EMOLS-id_44441315	352.473	TXRXESAQTCDWCD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079471
N1(CC(CCC1=O)NCc1c2CCCCCc2[nH]n1)Cc1ccccc1	MCULE-9516705253,EMOLS-id_232848254	352.473	DMNFHCCWFNMHLP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079472
n1c(CNC(=O)C2(CCCC2)Nc2ccccc2)c2c(CCCCC2)[nH]1	EMOLS-id_232850058,MCULE-9146348322,ZINC22_827661098	352.473	DSRKBRQEPAAEQN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079473
O=C1CC[C@H](NCc2n[nH]c3c2CCCCC3)CN1Cc1ccccc1	ZINC22_828256395	352.473	DMNFHCCWFNMHLP-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079474
O=C1CC[C@@H](NCc2n[nH]c3c2CCCCC3)CN1Cc1ccccc1	ZINC22_828256397	352.473	DMNFHCCWFNMHLP-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079475
O=C1NCCCc2c1c(CCCN1CCN(CC1)c1ccccc1)c[nH]2	SCHEMBL8473506,PC-id_67594717	352.473	CPORYPZAWQYQOY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079476
O=C(C1(C)CCCC1)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_99806351	352.473	VLXCKGPENYBVNS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079477
O=C(C1CCn2c(CC1)nnc2)NCC1(CCC1)c1ccc(c(c1)C)C	EMOLS-id_319611267	352.473	VMQOJAPTQVJDDV-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-079478
O=C(C1CCn2c(CC1)nnc2)NC(C1(CCCC1)c1ccccc1)C	EMOLS-id_319419807	352.473	RKJAROYLHHBIBH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079479
O=C(C1CCn2c(CC1)nnc2)NCC1(CCCC1)Cc1ccccc1	EMOLS-id_320198200,MCULE-9728912934	352.473	JBDRGACCLOVNQN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079480
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(cc1)C1CCCCC1	EMOLS-id_316653415	352.473	WALIKPBRWPQVFR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079481
O=C(C1CCn2c(CC1)nnc2)NCC1CCC(CC1)c1ccccc1	EMOLS-id_319752455	352.473	YXWHICJUXLHQLG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079482
O=C(N1CCCC1CCCc1ccccc1)C1CCn2c(CC1)nnc2	EMOLS-id_319390588	352.473	KMGJSFYOMYUOKI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079483
O=C(N1CCCc2c(C1)cnn2C)NC1CCc2c1cc(cc2)C(C)C	EMOLS-id_101711804	352.473	FXULDJPUXLEFRQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079484
O=C(N1CCCc2c(C1)cnn2C)NC1CCC(C1)Cc1ccccc1	EMOLS-id_101688077	352.473	CBZQXBJGXGONCU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079485
O=C(N1CCCc2c(C1)cnn2C)NC1CCCC1Cc1ccccc1	EMOLS-id_101724342	352.473	BFQCHHSFAQHSHZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079486
O=C(N1CCCc2c(C1)cnn2C)NC1CCCC(C1)c1ccccc1	EMOLS-id_101711840	352.473	VXOFWQBIQWGUNY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079487
O=C(N1CCCc2c(C1)cnn2C)NC1CCC(CC1)c1ccccc1	EMOLS-id_101725872	352.473	CRGANWBKSFTIGK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079488
O=C(N1CCCc2c(C1)cnn2C)NCC1(CCCC1)c1ccccc1	EMOLS-id_101731870	352.473	CPQPVDMYRZOZJD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079489
O=C(N1CCCc2c(C1)cnn2C)NC(c1ccccc1)C1CCCC1	EMOLS-id_101730759	352.473	RIHSXFNGUAXTDD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079490
O=C(N1CCN(CC1)Cc1ccccc1)Cn1cc2c(n1)CCCCC2	PC-id_20892419,CoCoCo_2192244	352.473	YTUZWGOJDHPJEO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079491
O=C(N(C1CCCCC1)Cc1ccccc1)C1CCn2c(CC1)nnc2	MCULE-8458660138,EMOLS-id_316478859	352.473	OKFCTEJSFDBYQS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079492
O=C(NCc1nn2c(CN(CCC2)CCC)c1)C1C(C1)c1ccccc1	PC-id_77847984	352.473	AIGBOEGVMRNEJX-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-079493
O=C(NCc1nnc2n1CCCCC2)c1ccc(C2CCCCC2)cc1	EMOLS-id_18845664,MCULE-4753642959,CoCoCo_4336667,ZINC22_12821949,PC-id_25536458	352.473	ZKHKBCLCTQTJQB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079494
O=C(NCCc1n2CCCCCc2nn1)/C=C/c1c(cc(c(c1)C)C)C	PC-id_60551175	352.473	XDTAOXBUCXALMP-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079495
O=C(NCCc1n2CCCCCc2nn1)C=Cc1c(cc(c(c1)C)C)C	PC-id_76867484	352.473	XDTAOXBUCXALMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079496
COCCOCCCNC(=NCc1nnc2n1CCCCC2)NCC	PC-id_111404861	352.475	FLSCIILCHAPDTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079497
COCCOCCCNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111405017	352.475	MQTXOLRCMRHUEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079498
O=S(=O)(c1cnc2n1CCC2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_97705013	352.475	XBEUUBITZQBHNO-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-079499
c1(sc2c(cccc2)n1)C(=CNc1sc2c(CCCCC2)n1)C#N	PC-id_71966736,MCULE-7254775207	352.476	KFUIHLRYZKNXOJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079500
N#C/C(=C/Nc1nc2CCCCCc2s1)/c1nc2ccccc2s1	TIMTEC260082,EMOLS-id_26665331,PC-id_22696621,CoCoCo_6409826	352.476	KFUIHLRYZKNXOJ-QXMHVHEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079501
N#C/C(=CNc1nc2c(s1)CCCCC2)/c1nc2c(s1)cccc2	PC-id_20787418,CoCoCo_6409827	352.476	KFUIHLRYZKNXOJ-VAWYXSNFSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079502
C1CCCc2c(CC1)n(/C=C/C=C/n1nnc3c1CCCCCC3)nn2	PC-id_101095352	352.477	DPGDDVNESHIOJK-KAVGSWPWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079503
C1CCN(CC1)C(=NCc1nnc2n1CCCCC2)Nc1ccccc1	PC-id_111031928	352.477	DQZGPYCUXIJGDK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079504
c1(CN2CCCn3c(cc(n3)CN(C)CC)C2)c2ccccn2c(C)n1	ZINC22_72127115,EMOLS-id_43065348,MCULE-7042254110,PC-id_56884088	352.477	AGLQKQYEKMDIEB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079505
CCNC(=NCCc1nnc2n1CCCCC2)N1CCc2c1cccc2	PC-id_110985068	352.477	QSMLBFFEWLDACG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079506
CN=C(N1CCc2c1cccc2)NCCCc1nnc2n1CCCCC2	PC-id_110984224	352.477	TWYZTMFIGCTBEI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079507
CN=C(N1CCC(C1)c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111722939	352.477	MMRKYHDILOFISI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079508
CN=C(NCC1(CC1)c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111855646	352.477	ZARAXPXKUQCHPX-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-079509
NC(=NCCCc1nnc2n1CCCCC2)Nc1ccc2c(c1)CCC2	PC-id_111093759	352.477	MUEBUICBWLETHK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079510
O=C(Nc1sc2c(n1)CCCCCC2)CCSc1nnnn1C	EMOLS-id_98560705	352.478	GFBPOBREWWMGQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079511
c1(NC(=O)CNC(C)(C)C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-5396331245,ZINC22_3683231,EMOLS-id_2367527,PC-id_2861493,CoCoCo_680618	352.492	BJISNFLTCOIIPH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079512
s1c2CCCCCCc2cc1C(=O)N(CC(=O)NCCCOC)C	PC-id_51307883	352.492	XBOLZBXQIHXEAE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079513
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCOCC(C)C	PC-id_40393491	352.492	OJQAILYNFHEXMX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079514
c1(NC(=O)C(CC)c2ccccc2)sc2c(CCCCCC2)c1C#N	TIMTEC114440,EMOLS-id_4030870,PC-id_4577981,SPECS-id_AK-968/13147353,MCULE-9218563289	352.493	CZIJYNAAVCVXST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079515
CC(c1ccc(C(=O)Nc2c(C#N)c3c(CCCCC3)s2)cc1)(C)C	ZINC22_1771893,EMOLS-id_3064810,SPECS-id_AF-399/15334036,MCULE-2827516271,PC-id_1563736,CoCoCo_3268384	352.493	PNRTWJVLGUHAJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079516
CC[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCCC2)c1ccccc1	CoCoCo_6800907,PC-id_1744964,ZINC22_2086635	352.493	CZIJYNAAVCVXST-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079517
CC[C@H](C(=O)Nc1sc2c(c1C#N)CCCCCC2)c1ccccc1	PC-id_1744963,CoCoCo_6800906,ZINC22_2086634	352.493	CZIJYNAAVCVXST-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079518
CC(CN1Cc2cc(sc2S(=O)(=O)CC1C)S(=O)(=O)N)C	SCHEMBL9429933,PC-id_19106472	352.493	NQLLUJQGVTZSAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079519
CC(CN1Cc2cc(sc2S(=O)(=O)C[C@@H]1C)S(=O)(=O)N)C	PC-id_67849906,SCHEMBL9429942	352.493	NQLLUJQGVTZSAM-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-079520
CC(CN1Cc2cc(sc2S(=O)(=O)C[C@H]1C)S(=O)(=O)N)C	SCHEMBL9429939,PC-id_22849719	352.493	NQLLUJQGVTZSAM-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079521
CC(CN1CC(C)S(=O)(=O)c2c(C1)cc(s2)S(=O)(=O)N)C	SCHEMBL9429703,PC-id_19106477	352.493	YZOKENMWTPASSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079522
CC(CN1C[C@@H](C)S(=O)(=O)c2c(C1)cc(s2)S(=O)(=O)N)C	PC-id_22849718,SCHEMBL9429705	352.493	YZOKENMWTPASSU-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079523
CC(CN1C[C@H](C)S(=O)(=O)c2c(C1)cc(s2)S(=O)(=O)N)C	PC-id_67849864,SCHEMBL9429711	352.493	YZOKENMWTPASSU-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-079524
CC(CN1CCS(=O)(=O)c2c(C1C)cc(s2)S(=O)(=O)N)C	SCHEMBL9429838,PC-id_19106460	352.493	OVPXVDIMAMAZAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079525
CC(CN1CCS(=O)(=O)c2c([C@H]1C)cc(s2)S(=O)(=O)N)C	PC-id_22849720,SCHEMBL9429842	352.493	OVPXVDIMAMAZAQ-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079526
CC(CN1CCS(=O)(=O)c2c([C@@H]1C)cc(s2)S(=O)(=O)N)C	SCHEMBL9429846,PC-id_67849891	352.493	OVPXVDIMAMAZAQ-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-079527
s1c2CCCCCc2c(c1NC(=O)Cc1c(cc(cc1C)C)C)C#N	PC-id_25906595	352.493	RMTHNRCANQQUBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079528
s1c2CCCCCc2c(c1NC(=O)Cc1ccc(C(C)C)cc1)C#N	PC-id_41362443	352.493	FILMVUYZRLCQEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079529
s1c2CCCCCCc2c(c1NC(=O)c1ccc(C(C)C)cc1)C#N	PC-id_5196366	352.493	QPBPGMRVNWZAOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079530
c1(NC(=O)CCC(=O)NCCCN(C)C)sc2c(CCCCC2)n1	MCULE-7335636201,EMOLS-id_334935522	352.495	HCWLJBIGFWYVRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079531
CC1(C)Cc2[nH]ncc2CN(C1)S(=O)(=O)CC12CCCN(C1)CC2	EMOLS-id_258174630,MCULE-5265579934	352.495	RFQYHHFGSZZVFB-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-079532
CC(CN1CCN(C(C1)C)C(=O)Nc1nc2c(s1)CCCCC2)O	EMOLS-id_110516084	352.495	PMEDVDFWHQKYMD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079533
CC(CN1CCOCC1)CNC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_99468360	352.495	AFCNIYZUDDQBAO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079534
C[C@@H](CN1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2)O	EMOLS-id_98450258	352.495	REVVEYZLUKBBFO-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079535
CC(NC(=O)Nc1sc2c(n1)CCCCCC2)CN1CCOCC1	EMOLS-id_101066665	352.495	IIMSROGIEWABFL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079536
CCO[C@@H]1C[C@@H](NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)[C@@H]1SC	MCULE-1504126700,ZINC22_596009141,PC-id_136583766,EMOLS-id_316875246	352.495	PNSRNMFCXSNFGU-YUELXQCFSA-N	00001000100000000101000000000010000000000000000000000000	31-01-079537
CCS(=O)C1CCCC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101723544	352.495	MVNCKYPJBDXNPR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079538
CN1CCC(CC1)(O)CNC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101074609	352.495	ANXMGUCJWCVXQX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079539
CN(C(=O)Nc1sc2c(n1)CCCCCC2)CCN1CCOCC1	EMOLS-id_101071867	352.495	RKXBPWRMBSHNSJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079540
COCCN1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101101046	352.495	ADTAZQHXZTULLO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079541
O=C(N1CCN(CC1)CC(O)(C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110350570	352.495	ZJTNEVSBPFDMDF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079542
O=C(Nc1sc2c(n1)CCCCCC2)NCC(N1CCOCC1)C	EMOLS-id_101103893	352.495	XXPDTSGFDZSEOZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-079543
O=C(Nc1sc2c(n1)CCCCCC2)NCCN1CCOCCC1	EMOLS-id_101101094	352.495	OFWSBQUEKXCHKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079544
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)C	PC-id_30376697	352.495	RIYJKKREQRCJJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079545
Cc1ccc(s1)CN1CCn2c(CC1)nnc2CCc1ccccc1	ChEMBL-DNDi_CHEMBL28207263,CoCoCo_1274200,CoCoCo_1274201,PC-id_29088267	352.496	YVFUMBKAOYDJML-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-079546
Cc1ccsc1CN1CCc2nnc(CCc3ccccc3)n2CC1	MCULE-3947122944,ZINC22_20637928,EMOLS-id_232785481,ChEMBL-DNDi_CHEMBL89867461,PC-id_56860162	352.496	SBECZLHCDXVWOH-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-079547
CC(c1nnc2n1CCCCC2)NCc1scc(c1)c1ccccc1	EMOLS-id_32042584,PC-id_51120535	352.496	NLRVYYCOPHDGPA-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-079548
CCCC1C=CC=c2c(=C1)cnn2Cc1scc(c1)C(=N)NC1CC1	SCHEMBL18978111	352.496	YLFNLDWRFNHHGZ-UHFFFAOYSA-N	00100000100100000111000000000010000000000000000000000000	31-01-079549
C[C@H](NCc1cc(c2ccccc2)cs1)c1nnc2n1CCCCC2	PC-id_52365735,ZINC22_54040761	352.496	NLRVYYCOPHDGPA-HNNXBMFYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-079550
C[C@@H](NCc1cc(c2ccccc2)cs1)c1nnc2n1CCCCC2	PC-id_52365737,ZINC22_54040763	352.496	NLRVYYCOPHDGPA-OAHLLOKOSA-N	00000000100100110101100000000010000000000000000000000000	31-01-079551
C=CCCC(=O)OCCC(c1ccc(cc2-c1ccc2C)CC(C)C)C	PC-id_19690316,SCHEMBL8561949	352.51	FQIMDBMEKLERRM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-079552
FC1CC(C1)Oc1nc2c(s1)CCN(CC2)CCC1CCCCC1	PC-id_145451811	352.51	DKVQWCRGHHWSGQ-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-079553
C(c1c2-c(cc1)c(cc(cc2C)C)C)c1c2-c(cc1)c(cc(cc2C)C)C	PC-id_12667297	352.511	RFWYISAWTKISEK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-079554
Cc1ccc(cc1)C1CCN(CC1)CCCc1onc2c1CCCCC2	PC-id_59939369,SCHEMBL7961291	352.513	WQQVZGGULXGPJJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079555
c1(NC(=S)NCC(=C)C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-1206902810,SPECS-id_AJ-292/40461312,PC-id_3623305,ChemDIV3448-6021,ZINC22_3901293,TIMTEC147891,EMOLS-id_935896,CoCoCo_1743409	352.515	FKRJRMNISDFKKT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079556
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CCCC1	ZINC22_5979959,MCULE-6016609092,CoCoCo_6799893,EMOLS-id_4030894,PC-id_3267746,TIMTEC108335	352.515	CSMVAPQLPAEHPW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-079557
c1(sc2c(CCCCCC2)c1C(=O)OC)NC(=S)N1CCCC1	ZINC22_6145339,EMOLS-id_4030892,CoCoCo_6800322,TIMTEC566898,MCULE-2411615076,PC-id_3273003	352.515	YEDGHLWXEXUHFH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-079558
s1c2c(CCCCC2)c(c1NC(=S)N1CCCCC1)C(=O)OC	PC-id_19653695	352.515	YVEIXDNGSVZOAL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-079559
s1c2c(CCCCC2)c(c1NC(=S)NC1CCCC1)C(=O)OC	PC-id_19650425	352.515	JTHPCYGYVBNXCX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-079560
s1c2c(CCCCCC2)c(c1NC(=S)NC1CC1)C(=O)OCC	PC-id_19650404	352.515	PDSRNUBKTAQABZ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-079561
s1c2c(CCCCCC2)c(c1NC(=S)NCC=C)C(=O)OCC	PC-id_19652150	352.515	BIEAZMABPMGQMA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079562
c1ccc(cc1)CC1CCN(CC1)CCCc1nnc2n1CCCCC2	PC-id_15521157,SCHEMBL7949592	352.516	ZEENPPCUVPGJSJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079563
Cc1ccc(cc1)C1CCN(CC1)CCCc1nnc2n1CCCCC2	PC-id_59939397,SCHEMBL7957664	352.516	DDFSFZBVGUOZPR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079564
Cc1ccc(cc1)N1CCN(CC1)CCCc1[nH]nc2c1CCCCC2	PC-id_17773237,SCHEMBL5775029	352.516	SWPCYWQCWNCYMZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079565
CC(CCC=C(C)C)CN1CCc2nnc(Cc3ccccc3)n2CC1	MCULE-3329230815,PC-id_45195006,ChEMBL-DNDi_CHEMBL29127153,EMOLS-id_20506499	352.516	RWSVZVWMIKZUIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079566
CC(=CCC[C@H](C)CN1CCc2nnc(Cc3ccccc3)n2CC1)C	CoCoCo_1280734,ZINC22_11909502,CoCoCo_1280732	352.516	RWSVZVWMIKZUIU-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-079567
CC(=CCC[C@@H](C)CN1CCc2nnc(Cc3ccccc3)n2CC1)C	CoCoCo_1280735,CoCoCo_1280733,ZINC22_11909505	352.516	RWSVZVWMIKZUIU-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079568
CCNC(=NCC(SC)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111610170	352.541	NLCXBSLMPJDKKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079569
CN=C(NCC(SC)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111611454	352.541	NRUDMDQWKVQQRZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079570
CSCCCCN=C(NCCc1nnc2n1CCCCC2)NCC	PC-id_111627224	352.541	SFGFVPRQESSUKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079571
CSCCCCNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111628766	352.541	RHISENIUNIRRLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079572
CCCCCCC1(CCCCCC)COc2c(OC1)c(sc2C)C	SCHEMBL13080609,PC-id_59538676	352.574	KRWCVHOIZCETKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079573
CCCCCCCC1(CCCCCCC)COc2c(OC1)csc2	PC-id_102080062	352.574	APYQRYQUWTZYQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079574
CCCCCCCCCCCCCCC1CCOc2c(O1)csc2	PC-id_69219443,SCHEMBL4857530	352.574	LZSKBXXNRHNDSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079575
C(CCCCCCCCC)CCCCCCc1c2-c(cc1)ccccc2	PC-id_19815757	352.596	FGJRSDPJDZXVEY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-079576
Brc1ccc(c(c1)Cl)Cn1cc2c(c1)CCCCC2=O	PC-id_116075722	352.653	XJZBJHNUJIPZNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079577
Clc1ccc2-c(c(c(=O)n2CC(=O)O)C(=O)N(CC(=O)O)C)cc1	PC-id_12852688	352.727	XKTMJKNISBPOSP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-079578
C1C(Cn2c(cc(n2)C(=O)NCc2cc(c(cc2)F)Cl)C(=O)N1)O	PC-id_135115943	352.748	KPXRREODYVMUAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079579
O=C(c1cc(Cl)c(c(c1)[N+](=O)[O-])F)N1CCCc2c(C1)cnn2C	EMOLS-id_316572779	352.748	SUYYKDWPHWYCRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079580
C1CN(Cc2cc(nn2C1)C(CO)O)C(=O)c1c[nH]c(=O)c(c1)Cl	MCULE-8954212338,EMOLS-id_55661343,PC-id_91780489	352.773	XMBWFDBAHPBQMM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079581
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1c[nH]c(=O)c(c1)Cl)O	PC-id_99977217	352.773	XMBWFDBAHPBQMM-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079582
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1c[nH]c(=O)c(c1)Cl)O	PC-id_99977221	352.773	XMBWFDBAHPBQMM-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079583
Clc1c(OCC(=O)NCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_51266335	352.791	DLUORZJVCYJPOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079584
CN(C1CCc2nn(C)c(=O)n2CC1)C(=O)c1cc(F)ccc1Cl	PC-id_91910863,EMOLS-id_50590534,MCULE-7926010704	352.791	CRTHJAVZZAFSNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079585
CN(C1CCc2nn(C)c(=O)n2CC1)C(=O)c1c(F)cccc1Cl	MCULE-2077970897,EMOLS-id_50586069,PC-id_91922699	352.791	OXCDCWMHBNEYHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079586
COCc1nnc2CC(C)N(CCn12)C(=O)c1ccc(F)c(Cl)c1	EMOLS-id_313826343	352.791	UQPIALMQKYFLFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079587
COCc1nnc2n1CCN(C(=O)c1ccc(F)c(Cl)c1)[C@@H](C)C2	ZINC22_585098529	352.791	UQPIALMQKYFLFF-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-079588
COCc1nnc2n1CCN(C(=O)c1ccc(F)c(Cl)c1)[C@H](C)C2	ZINC22_585098534	352.791	UQPIALMQKYFLFF-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079589
Clc1cc(ccc1C(=O)N1CCCC(c2c1ccs2)O)[N+](=O)[O-]	PC-id_21467154,SCHEMBL6988607	352.793	NAHZUTMYEMMHBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079590
N#Cc1ccc(c(c1)Cl)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028520	352.799	WZRUBVYNMVOJJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079591
N#Cc1ccc(cc1Cl)S(=O)(=O)NC1CCn2c(CC1)nnn2	MCULE-6990895934,EMOLS-id_102026665	352.799	HNDUQGZQTLVWKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079592
N#Cc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_102028535	352.799	IFNJQYXJNGDFKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079593
N#Cc1ccc(S(=O)(=O)N[C@H]2CCc3nnnn3CC2)cc1Cl	ZINC22_333820573	352.799	HNDUQGZQTLVWKP-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-079594
N#Cc1ccc(S(=O)(=O)N[C@@H]2CCc3nnnn3CC2)cc1Cl	ZINC22_333820582	352.799	HNDUQGZQTLVWKP-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079595
c1(C(=O)N)c2CCCCCc2sc1NC(=O)c1c(Cl)cnn1C	PC-id_4770462,EMOLS-id_4031043,MCULE-7218921433,ZINC22_2779199	352.839	KCLDPDSRRZWGJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079596
Clc1ccc2c(c1)N(Cc1nnc3n1CCCCC3)S(=O)(=O)C2	EMOLS-id_100826705	352.839	FDNKUBLCDGKYIV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079597
Clc1ccc(s1)C(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91910675,MCULE-7207644514,EMOLS-id_50585763	352.839	KBCXZBMBSZUONL-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-079598
CCC(c1nnc2n1CCCCC2)NC(=O)C1(Cl)CC2OC1CC2	EMOLS-id_316583976	352.859	RKRWUSRJWNTZQT-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-079599
CCc1nn(C)c(CC(=O)Nc2nc3c(s2)CCCCC3)c1Cl	ZINC22_2325825147	352.882	GLYQDNQQTDHBEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079600
Clc1ccc(SCC(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_16605138	352.902	HANWMTFKRYLPPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079601
CSc1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCCCC3)c1	MCULE-1810943168,CoCoCo_4546076,ZINC22_12822522,EMOLS-id_17155466,PC-id_25536794	352.902	UCKCDRUZLHUPLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079602
C=C(C1=C(Cl)C=CCC=C1)CCC(=C)c1csc2c1C=C=CCC2	SCHEMBL21441493,PC-id_139563454	352.92	FLESDXGBXXIBDI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-079603
O=C1NCC=C(c2c1n(I)cc2)Br	PC-id_145081741	352.955	VYZFMKVBTQTTQT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-079604
Brc1c2-c(cccc(c2)C(C)(C)C#N)c(Br)c1	PC-id_44631346	353.052	GZXNMFYGFQAHHP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-079605
CC1CN(CCc2c1c(c(s2)Br)Br)C=O	PC-id_89047489,SCHEMBL13266209	353.073	MNPVAGPLTIRTFS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079606
C1CCC2=C(CC1)SC(=C2C#N)N=CC3=CC4=C(N3)C=CC(=C4)Cl	PC-id_153941255	353.075	ALWINXARYXNHQG-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-079607
CC1=CC(=CC(=C1)C(F)(F)F)COC(=O)N2CCCN3C=NC=C3C2	PC-id_148746223	353.135	ODURNSDTHJRVLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079608
C1CN(CCN2C1=NC(=N2)CC3=CC=CC=C3)CC4=NC=C(C=C4)Cl	MCULE-8620687463,PC-id_164700080	353.141	FHSNGLARHBTHHY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-079609
COC1=CC=CC=C1C2=NC(=NN2)NC(=O)C3=NOC4=C3CCCCC4	PC-id_154793581	353.149	CYFRLSYYAQXFDE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079610
COC(=O)c1cc2c(s1)C(=CCC(=C2)C(F)(F)F)Br	PC-id_90930212	353.155	ABIXPZZGZIXOAM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-079611
C1CN(Cc2cc(nn2C1)CCC(=O)O)CCc1cc2c(cc1)occ2	PC-id_163805979,PC-id_163805980	353.174	NJBYHSIRVGSMPW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079612
COC(=O)CCC1=NN2CCCN(CC2=C1)CC3=CC4=C(C=C3)OC=C4	PC-id_154685836	353.174	LQOPPRRQHNIXCF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079613
C1CCC2=NN=C(N2CC1)CCNC(=O)NC3=CN(N=C3)CC(F)F	MCULE-9841556728,PC-id_154737061,EMOLS-id_317281712	353.178	NTDVJFPQYWCRIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079614
Brc1ccc(c(c1)F)NC(=O)c1noc2c1CCCCC2	ZINC22_36356876,STOCK6S-88029,MCULE-1498979389,PC-id_45491868,EMOLS-id_29922509	353.186	QXUSHRFQTLXUME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079615
Brc1ccc(c(c1)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316534394	353.19	ZZKMFTGZDBVJMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079616
Brc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_278116103	353.19	ORLCZKOISUPYGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079617
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1F)Br	EMOLS-id_278192560	353.19	VEHBUJSMUJJFML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079618
C1CCC2=C(CC1)ON=C2C(=O)N3CCC(CC3)(CN)C4=CC=CC=C4	MCULE-3237376210,PC-id_154576870	353.21	IRDVJQLDSGSYAX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079619
Brc1oc(C(=O)NC(c2n3CCCCCc3nn2)C)cc1	PC-id_60708188	353.214	BUGSVEDPDWZYBP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079620
COc1cc(=O)n(Cc2nnc3n2CCCCC3)cc1Br	MCULE-4540144040,ZINC22_278583258,EMOLS-id_276227432	353.214	GBEMSVLCIMKGGU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079621
O=C(c1ccoc1Br)NC(c1nnc2n1CCCCC2)C	PC-id_106853264	353.214	HUFBTOWZTZDQNF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079622
O=C(N1CCCc2c(C1)cco2)Nc1n(C)nc(c1Br)C	EMOLS-id_319918069,MCULE-2398311982	353.214	PPQNJDVFFFKGHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079623
O=C(N1CCCc2c(C1)cco2)NCc1nn(cc1Br)C	EMOLS-id_101580747	353.214	GLLUFWSFKXDKGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079624
O=C(NCCc1nnc2n1CCCCC2)c1ccc(Br)o1	EMOLS-id_24115119,MCULE-3245437780,CoCoCo_4491028,PC-id_25596631,ZINC22_12910605	353.214	NUSAOOXJNFNZGE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079625
O=c1n(C)ncc(c1Br)NCc1nnc2n1CCCCC2	EMOLS-id_99022368	353.218	RECBDTMQUHFJBY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079626
C1CCCN2C(=NN=C2CN3CCN(CC3)C(=O)C4=CC=CC=C4)CC1	PC-id_154781843,ZINC22_630952069,EMOLS-id_317783459,MCULE-6600101525	353.222	VQXDRQDVJNNLME-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079627
ClC(=CCS(=O)(=O)NC(=O)c1noc2c1CCCCC2)Cl	EMOLS-id_316500646	353.222	DREBWXRWKIDEHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079628
CCC(=O)CCOCCOC1CCCC2=C(CC1)N(N=N2)CCOC	PC-id_160187197	353.231	PFAOYOKOCSMCSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079629
Fc1ccc(Br)cc1CNCc1nnc2n1CCCCC2	PC-id_45844196,ZINC22_95377576,MCULE-5896255986,CoCoCo_3923813	353.233	CUZWRTDRWXUHKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079630
Clc1ccc(c(c1)Cl)[C@@H](NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319510346	353.246	SHOWLEISDMAQNO-VUWPPUDQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079631
Clc1cc(cc(c1)Cl)CN(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319085410	353.246	VGQQFNQNXPQAFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079632
Clc1ccc(c(c1)Cl)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101731744,MCULE-6290614728	353.246	UNFKLYIEFBJMMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079633
Clc1c(CC(=O)NCc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_51266233	353.246	NIHFIHLNPQAMRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079634
Clc1c(CC(=O)NCc2n3CCCCCc3nn2)c(Cl)ccc1	PC-id_51266234	353.246	HPBWDXARRIGLEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079635
Clc1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1Cl	PC-id_51307437	353.246	DMYWOHMLJJCSBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079636
Clc1cc(C(=O)NCCc2n3CCCCCc3nn2)cc(Cl)c1	PC-id_51307449	353.246	VPZCOTSNUAWXMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079637
Clc1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1Cl	PC-id_51307448	353.246	FWBFKSFZLCFOMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079638
Clc1c(C(=O)NCCc2n3CCCCCc3nn2)cc(Cl)cc1	PC-id_52371094	353.246	ZWWCOIIIWYJCJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079639
O=C(C1CCn2c(CC1)nnc2)NC(c1cccc(c1Cl)Cl)C	MCULE-6979712992,EMOLS-id_320105340	353.246	CXXOYSYXDBJLST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079640
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(Cl)c(c(c1)Cl)C	EMOLS-id_101965344	353.246	MZUZCTZOEUQSNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079641
Brc1ccc(c(c1)C(=O)c1cc2c(s1)CCCCC2)F	PC-id_115784551	353.249	KSHQUBVPXGYGEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079642
Brc1cccc(c1F)C(=O)c1cc2c(s1)CCCCC2	PC-id_106647336	353.249	QZJRMJYDCASIFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079643
Brc1ccc(o1)C(NC(c1nnc2n1CCCCC2)C)C	PC-id_104652690	353.257	IJEIJMGPYDKEPY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079645
CCn1ncc(c1C(=O)c1cc2c(s1)CCCCC2)Br	PC-id_115803558	353.277	WCVMRCDAZVFFQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079646
Brc1c(cccc1N)CSc1nnc2n1CCCCC2	PC-id_108173953	353.281	PGFCNSYCADIJAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079647
Brc1ccc(c(c1)N)CSc1nnc2n1CCCCC2	PC-id_114381741	353.281	MECIYNOFOGPLFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079648
Brc1cc(N)c(cc1Sc1nnc2n1CCCCC2)C	PC-id_108171005	353.281	XYCIFHZMYZUHFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079649
Brc1c(CSc2n3CCCCCc3nn2)ccc(N)c1	PC-id_60792639	353.281	LKDSNXPVOGHRFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079650
Brc1cc(Sc2n3CCCCCc3nn2)c(CN)cc1	PC-id_63805984	353.281	QLDPNMXNRGFJGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079651
Brc1c(CSc2n3CCCCCc3nn2)c(N)ccc1	PC-id_43349838	353.281	GLGMJJAMCPZTIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079652
Brc1c(Sc2n3CCCCCc3nn2)ccc(c1)CN	PC-id_82809837	353.281	CYPVFZJLMFJDHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079653
Nc1cc(ccc1Br)CSc1nnc2n1CCCCC2	PC-id_115558326	353.281	RPYBJTOOTIPVCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079654
Nc1cc(CSc2nnc3n2CCCCC3)cc(c1)Br	PC-id_103351147	353.281	DHRLJPCYTBALFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079655
NCc1c(Br)cccc1Sc1nnc2n1CCCCC2	PC-id_114884639	353.281	PRZWFPLGUPWEGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079656
NCc1cc(Br)ccc1Sc1nnc2n1CCCCC2	PC-id_114893820	353.281	JTIIMBLSDVLHMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079657
NCc1cc(cc(c1)Br)Sc1nnc2n1CCCCC2	PC-id_102818656	353.281	BCMZQZGYWOJETH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079658
NCc1ccc(cc1Br)Sc1nnc2n1CCCCC2	PC-id_107280512	353.281	AKLYFRZZKGLXET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079659
Clc1cc(ccc1Cl)Cn1c(nc2c1C(O)CCCC2)C(C)C	PC-id_58460147,SCHEMBL2512375	353.286	MVVMCSNYIQSNQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079660
BrC(c1sc2c(CCCCC2)c1)c1cc(c(F)cc1)C	PC-id_79747075	353.292	UQHXACRURWZYJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079661
BrC(c1sc2c(CCCCC2)c1)Cc1ccc(F)cc1	PC-id_63542090	353.292	SSQCXKTVVZHVAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079662
BrC(c1sc2c(CCCCC2)c1)Cc1cc(F)ccc1	PC-id_63544000	353.292	FOHVDVPXPVUPAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079663
BrC(c1sc2c(CCCCC2)c1)Cc1c(F)cccc1	PC-id_63544508	353.292	JZAQECKTYUGBEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079664
[Se](C(=O)Cc1c2-c(c(cc(c1)C)C)ccc2)c1ccccc1	PC-id_85868681	353.316	WLXFGSLTJHLSIB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-079665
Brc1cc(sc1)Cn1cc2C(NCC)CCCCc2c1	PC-id_83213079	353.32	FGILMTOAYWTIFU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-079666
Brc1c(scc1)Cn1cc2C(NCC)CCCCc2c1	PC-id_83212998	353.32	UDCQKVSPILOSGV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-079667
Brc1sc(Cn2cc3C(NCC)CCCCc3c2)cc1	PC-id_83212334	353.32	HTTLDOMUJJLIDF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-079668
c1(ccnn1C(F)F)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	EMOLS-id_43180789,MCULE-9837872935,ZINC22_72481176,PC-id_56917312	353.324	YHGASWYSRZHRBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079669
c12C(=O)N(CCCn1nc(C(=O)O)c2)Cc1onc(c2ccccc2)n1	EMOLS-id_49266690,MCULE-8282619260	353.332	BZKRPPYAAHAGPP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079670
N#CC(=Cc1cc2OCOc2cc1[N+](=O)[O-])c1nnc2n1CCCCC2	MCULE-3042131165,EMOLS-id_300266564,PC-id_72084736	353.332	QAGXISVQKLPBRF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079671
N#C/C(=Cc1cc2OCOc2cc1[N+](=O)[O-])/c1nnc2n1CCCCC2	PC-id_17554592,CoCoCo_3456371,GD-id_ZINC08985582	353.332	QAGXISVQKLPBRF-WUXMJOGZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079672
N#C/C(=C/c1cc2OCOc2cc1[N+](=O)[O-])/c1nnc2n1CCCCC2	PC-id_73673939,CoCoCo_3456372	353.332	QAGXISVQKLPBRF-SDQBBNPISA-N	00000010100000100101000000001010000000000000000000000000	31-01-079673
CCC1c2nnc(o2)NC(=O)NC(=O)CNC(=O)CNC(=O)N1CC	PC-id_137084516,SCHEMBL18652883	353.334	WMUBQLAILHTWPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079674
CCC1c2nnc(o2)NC(=O)NC(=O)NC(=O)[C@@H](NC(=O)N1CC)C	PC-id_137084527,SCHEMBL18652941	353.334	XBNSTGLHTYJHAM-PKPIPKONSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079675
CCCN1C(c2nnc(o2)NC(=O)NC(=O)NC(=O)CNC1=O)CC	PC-id_137084529,SCHEMBL18652953	353.334	JZHNRNZYUIZFAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079676
CCCN1CC(=O)NC(=O)NC(=O)Nc2nnc(o2)C(NC1=O)CC	PC-id_137084526,SCHEMBL18652936	353.334	QFKZYXRUFPENRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079677
c1(C(=O)Nc2cccc(c2)OC(F)(F)F)c2CCCCCCc2[nH]n1	BDD-25691827,ZINC22_257309884,PC-id_110089446,MCULE-5029642119,EMOLS-id_46576601	353.339	UCUDIVHHPLURSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079678
COc1nn(C)c2c1CCCN(C(=O)c1cccc(C(F)(F)F)c1)C2	ZINC22_96254471,EMOLS-id_44366638,PC-id_97515522	353.339	ZTHAAKDNCGEAMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079679
COc1nn(C)c2c1CCCN(C(=O)c1ccc(C(F)(F)F)cc1)C2	ZINC22_96254473,EMOLS-id_44366640,PC-id_97515524	353.339	GUIPEZUNFDEBRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079680
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cc(O)ccc1	PC-id_19523875	353.339	KVJKJINKXKCTOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079681
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(O)cccc1	PC-id_19527286	353.339	DYCJOFCSTMZMRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079682
c12CN(CCCn1nc(CNc1cc(ccn1)C(F)(F)F)c2)C(=O)C	MCULE-2236096359,PC-id_70731331,ZINC22_82107107,EMOLS-id_44432837	353.342	CTHKONVXBVWJFX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079683
c12CN(CCCn1nc(CNc1cccc(n1)C(F)(F)F)c2)C(=O)C	MCULE-4173122878,PC-id_70715569,EMOLS-id_44427281,ZINC22_82096353	353.342	UJLLGEIHUXFPBB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079684
c12CN(CCCn1nc(CNc1ncccc1C(F)(F)F)c2)C(=O)C	PC-id_70725653,EMOLS-id_44430801,ZINC22_82099325,MCULE-4540159957	353.342	SWDOBSXGUSCVPO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079685
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)NCC(F)(F)F	EMOLS-id_316664405	353.342	RVXWJOZQLIUDBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079686
Clc1cc(NC(=O)NCc2n3CCCCCc3nn2)ccc1Cl	PC-id_51185982	354.234	CONJYJINQSYZEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080454
O=C(C1CCn2c(CC1)nnc2)NCCc1nccc(c1)C(F)(F)F	EMOLS-id_319122235	353.342	OASYXFPJWDEPMI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079687
O=C(c1n(C)cc2c1C=CCNS2(=O)=O)Nc1ccc(c(c1)F)F	SCHEMBL18352817	353.344	XHUYSENSQZYKGH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-079688
Fc1ccc(C(=O)N2CC(c3c([nH]c(c3)C#N)C(=C2)C(=O)O)(C)C)cc1	SCHEMBL4222446,PC-id_68962643	353.347	OPSYBQZQVDCCEY-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-079689
Fc1cc(C(=O)N2CC(c3c([nH]c(c3)C#N)C(=C2)C(=O)O)(C)C)ccc1	PC-id_68963585,SCHEMBL4224499	353.347	MUSQLNJKHAFLTQ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-079690
Fc1cccnc1OC1CN(Cc2cccn2C1)C(=O)c1ccnnc1	EMOLS-id_55750711	353.35	OFEBOCVHEGKFNE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079691
Fc1cccnc1OC1CN(Cc2cccn2C1)C(=O)c1cnccn1	EMOLS-id_50371517	353.35	DJTVNIFVDUCBBG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079692
O=C(c1ccnnc1)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_575404757	353.35	OFEBOCVHEGKFNE-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079693
O=C(c1ccnnc1)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_575404760	353.35	OFEBOCVHEGKFNE-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079694
O=C(c1cnccn1)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_253615573	353.35	DJTVNIFVDUCBBG-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079695
O=C(c1cnccn1)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_253615574	353.35	DJTVNIFVDUCBBG-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079696
C/C=C(C(=C)c1nc2=CCC=CC=c2[nH]1)/NC(=O)c1c(F)cccc1F	PC-id_143600931	353.365	KMOVVJMUHDXVMR-CRKCGEKBSA-N	00000000100000110111000000000010000000000000000000000000	31-01-079697
COC(=O)[C@H]1Cc2cocc2C[C@@H](N1C(=O)OC(C)(C)C)C(=O)OC	CoCoCo_5636774,NSC382811	353.367	ZOTRWFGOFVFYQX-CHWSQXEVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079698
COC(=O)[C@@H]1Cc2cocc2C[C@H](N1C(=O)OC(C)(C)C)C(=O)OC	CoCoCo_5636775	353.367	ZOTRWFGOFVFYQX-STQMWFEESA-N	00000000100000000100000000000010000000000000000000000000	31-01-079699
COC(=O)[C@@H]1Cc2cocc2C[C@@H](N1C(=O)OC(C)(C)C)C(=O)OC	CoCoCo_5636776,LI_194255	353.367	ZOTRWFGOFVFYQX-BETUJISGSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079700
FC1(F)CC(C1)C(=O)N1CCCn2nnc(C(=O)NC3CCC3)c2C1	ZINC22_2055845164,EMOLS-id_313850925	353.367	AOONOVXOSWCLEQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-079701
O(C(=O)N1C(Cc2c(CC1C(=O)OC)coc2)C(=O)OC)C(C)(C)C	PC-id_343387	353.367	ZOTRWFGOFVFYQX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079702
O1[C@]([C@@H](O)[C@]2(OCCc3c([nH]cc3)C(=O)N2)C(=O)N)(COC1(C)C)C	PC-id_10760517	353.37	FFKHOGIFWXKSBM-KCXAZCMYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-079703
O1C(C(O)C2(OCCc3c([nH]cc3)C(=O)N2)C(=O)N)(COC1(C)C)C	PC-id_85258559	353.37	FFKHOGIFWXKSBM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-079704
c12CN(CCCn1nc(CO)c2)C(=O)c1ccc(Oc2ccccc2)o1	PC-id_91763298,EMOLS-id_55612051,MCULE-6074356427	353.372	BZRQXLAFVABMSJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-079705
OC(=O)Cn1ccc2c1ccc(c2)NC(=O)c1noc2c1CCCCC2	PC-id_120525410,MCULE-9287113866,EMOLS-id_72338380	353.372	QXPTYSIJRCOULZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079706
Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@@H]1COc1cnccn1	ZINC22_585097454	353.375	LVGSUZNNOGWEDM-OAHLLOKOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079727
c1(cc2c(nccc2)[nH]1)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	ZINC22_72478782,MCULE-3355524548,EMOLS-id_43173926,PC-id_56914918	353.375	HKZKMUYSTYSIIU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079707
c1(cnn2ccccc12)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	EMOLS-id_43086185,ZINC22_72410096,MCULE-5585767941,PC-id_56889186	353.375	MFINGEGPGKLACO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079708
c1(C(=O)N2CCCn3c(cc(n3)C(=O)OC)C2)cn2c(cccc2C)n1	MCULE-8571415290,ZINC22_65526283,EMOLS-id_32433064,PC-id_50982506	353.375	LMLZPRFTNPXCDC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079709
c1(C(=O)NC2CC2)cc2n(CCCN(C2)C(=O)C(=O)c2cccnc2)n1	PC-id_56741796,ZINC22_67642699,EMOLS-id_36572409,MCULE-9412586525	353.375	HOHVQZBUBSJBRE-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-079710
c1(C(=O)N)cn2c(CCN(CC2)C(=O)c2[nH]c3c(c(ccc3)OC)c2)n1	MCULE-7493030450,EMOLS-id_331114043,ZINC22_1875250064	353.375	VJZDNBATEJYNIQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079711
c1(C(=O)OC)cc2n(CCCN(C2)C(=O)c2cccc3c2nc([nH]3)C)n1	EMOLS-id_32431486,ZINC22_67954256,PC-id_50981652,MCULE-2885807178	353.375	YULVUWDOUOZOFA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079712
c1(C(=O)OC)cc2n(CCCN(C2)C(=O)Cc2c3ccccc3[nH]n2)n1	ZINC22_67868155,PC-id_50976256,EMOLS-id_32421294,MCULE-8616070672	353.375	NHPAVDDKSAHSPF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079713
CC1Cc2nnc(COc3cccnc3)n2CCN1C(=O)c1ccco1	EMOLS-id_313824805	353.375	NUPHMWIWSKHQTK-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079714
Cc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2COc2cnccn2)o1	ZINC22_585097596	353.375	NGRMSVBWUCLMSS-HNNXBMFYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079715
Cc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2COc2cnccn2)o1	ZINC22_585097597	353.375	NGRMSVBWUCLMSS-OAHLLOKOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079716
Cc1cc(C)nc(n1)n1[nH]c(cc1=O)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_258085465,MCULE-1457693729	353.375	LEMSJCZNFTYMQO-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-079717
Cc1ccc(o1)C(=O)N1Cc2ccnn2CCC1COc1cnccn1	EMOLS-id_313822497	353.375	NGRMSVBWUCLMSS-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079718
Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2COc2cccnc2)on1	ZINC22_585098298	353.375	VSGCECOGBOFDKZ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079719
Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2COc2cccnc2)on1	ZINC22_585098300	353.375	VSGCECOGBOFDKZ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079720
Cc1cc(C(=O)N2Cc3cncn3C[C@H](COc3ccccn3)C2)on1	PC-id_97477061,ZINC22_96208934	353.375	YDDNQRLBGGMITN-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079721
Cc1cc(C(=O)N2Cc3cncn3C[C@@H](COc3ccccn3)C2)on1	ZINC22_96208935,PC-id_97477062	353.375	YDDNQRLBGGMITN-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079722
Cc1cc(C(=O)N2Cc3cncn3C[C@H](COc3cccnc3)C2)on1	ZINC22_96207455,PC-id_97475582	353.375	JRCKJIMCKYCICX-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079723
Cc1cc(C(=O)N2Cc3cncn3C[C@@H](COc3cccnc3)C2)on1	ZINC22_96207456,PC-id_97475583	353.375	JRCKJIMCKYCICX-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079724
Cc1ccoc1C(=O)N1Cc2ccnn2CCC1COc1cnccn1	EMOLS-id_313822753	353.375	LVGSUZNNOGWEDM-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079725
Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@H]1COc1cnccn1	ZINC22_585097451	353.375	LVGSUZNNOGWEDM-HNNXBMFYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079726
Cc1cc(on1)C(=O)N1Cc2ccnn2CCC1COc1cccnc1	EMOLS-id_313743798	353.375	VSGCECOGBOFDKZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079728
Cc1cc(on1)C(=O)N1CC(COc2ccccn2)Cn2cncc2C1	EMOLS-id_49232507	353.375	YDDNQRLBGGMITN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079729
Cc1cc(on1)C(=O)N1CC(COc2cccnc2)Cn2cncc2C1	EMOLS-id_49230187	353.375	JRCKJIMCKYCICX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079730
Cc1c(ocn1)C(=O)N1CCc2nn(c(=O)n2CC1)Cc1ccccc1	PC-id_91922505,EMOLS-id_50585973,MCULE-2240825964	353.375	UXTSDMJAGCEIRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079731
Cc1ncoc1C(=O)N1Cc2ccnn2CCC1COc1cccnc1	EMOLS-id_313820706	353.375	VPLNTNCDZANHCU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079732
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1COc1cccnc1	ZINC22_585098174	353.375	VPLNTNCDZANHCU-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079733
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1COc1cccnc1	ZINC22_585098175	353.375	VPLNTNCDZANHCU-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079734
Cc1oncc1C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	MCULE-5489231455,EMOLS-id_97099397	353.375	PYXWSGHFQGHGJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079735
CC(C(=O)N1CCCn2nc(cc2C1)C(=O)O)n1cnc2ccccc12	MCULE-5027834198,PC-id_50972887,EMOLS-id_32414958	353.375	HKMJENFPBHMVQO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079736
C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1C(=O)c1ccco1	ZINC22_585097750	353.375	NUPHMWIWSKHQTK-CYBMUJFWSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079737
C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1C(=O)c1ccco1	ZINC22_585097751	353.375	NUPHMWIWSKHQTK-ZDUSSCGKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079738
C[C@H](C(=O)N1CCCn2nc(C(=O)O)cc2C1)n1cnc2ccccc12	PC-id_95135110,ZINC22_65453695	353.375	HKMJENFPBHMVQO-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079739
C[C@@H](C(=O)N1CCCn2nc(C(=O)O)cc2C1)n1cnc2ccccc12	ZINC22_65453691,PC-id_95135108	353.375	HKMJENFPBHMVQO-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079740
CN1C(=O)c2ccc(C(=O)NCc3nnc4n3CCCCC4)cc2C1=O	MCULE-5934584886,ZINC22_24986750,EMOLS-id_17217372,PC-id_32296194,CoCoCo_4625739	353.375	ALLNMWNVMMJZIN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079741
CN(Cc1nnc2n1CCOCC2)C(=O)c1ccc(c2ccncc2)o1	EMOLS-id_320333508,ZINC22_1615546414,MCULE-4662130015,PC-id_164630870	353.375	GXVGGXOOHRPUHB-UHFFFAOYSA-N	00000000101000101101100000000010000000000000000000000000	31-01-079742
O=C(Cc1ccco1)N1Cc2ccnn2CCC1COc1cnccn1	EMOLS-id_313821729	353.375	NSLDOYSFGXNUCQ-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079743
O=C(Cc1ccco1)N1Cc2ccnn2CC[C@H]1COc1cnccn1	ZINC22_585097616	353.375	NSLDOYSFGXNUCQ-HNNXBMFYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079744
O=C(Cc1ccco1)N1Cc2ccnn2CC[C@@H]1COc1cnccn1	ZINC22_585097617	353.375	NSLDOYSFGXNUCQ-OAHLLOKOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-079745
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccccc1c1ncco1	EMOLS-id_316713523	353.375	LSFYMONMYUPHQX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079746
O=C(N1CCCn2nc(cc2C1)C(=O)NO)c1n(c2c(c1)cccc2)C	PC-id_58465803,SCHEMBL12210635	353.375	QXLNRVGSSPOCSU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079747
c12C(CCCCn1nnn2)C(=O)NCc1ccc(cc1)c1noc(C)n1	EMOLS-id_68939392,PC-id_118794763,MCULE-6753495436	353.378	IEXBTMHZOZPNQA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079748
c12C(CCCCn1nnn2)C(=O)NCc1onc(c2ccc(cc2)C)n1	MCULE-5176148657,PC-id_118769059,EMOLS-id_68887681	353.378	HQAUMHQCBXTDNA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079749
c12C(CCCCn1nnn2)C(=O)NCc1onc(c2ccccc2C)n1	MCULE-5998897169,PC-id_118766483,EMOLS-id_68882173	353.378	LEBJUZUUSRCRBN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079750
c12C(CCCCn1nnn2)C(=O)NCc1onc(c2cccc(C)c2)n1	EMOLS-id_68899934,PC-id_118774963,MCULE-8940715877	353.378	YJGHWYCTNQEVAR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079751
c1(C(=O)N2CCCn3nc(C#N)cc3C2)cc2n(CCN(C(=O)C)C2)n1	PC-id_50966375,MCULE-3649047733,ZINC22_65408735,EMOLS-id_32402668	353.378	VTWRSVHNFXRXMP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-079752
c1(C(=O)N2CCn3c(CC2)nc(Cc2ccccc2)n3)nn(c(=O)[nH]1)C	EMOLS-id_337810568,MCULE-5567652276,ZINC22_2356168418	353.378	CKDZGWNZVXCGDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079753
c1(C(=O)Nc2ccc(c(c2)n2cnnn2)OC)c2CCCCCc2[nH]n1	MCULE-8060787424,EMOLS-id_323255226	353.378	UDBSQNBDCPBFEE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079754
c1(C(=O)Nc2ccc(c(OC)c2)n2cnnn2)c2CCCCCc2[nH]n1	MCULE-4203488549,EMOLS-id_323253177	353.378	IHHHDHMAXGUWLZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079755
c1(C(=O)NCCc2onc(c3cccnc3)n2)nnc2CCCCCn12	EMOLS-id_232883762,MCULE-4183068596,ZINC22_828219179	353.378	QCXOZTXHRHOQBV-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-079756
c1(C(=O)OC)cc2n(CCCN(Cc3ccc(cc3)c3n[nH]nn3)C2)n1	MCULE-7137974251,ZINC22_67473396,EMOLS-id_32372918,PC-id_50950702	353.378	AEDFYBKDRRQWNF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079757
Cc1ccc(c2noc(CNC(=O)[C@@H]3CCCCn4nnnc34)n2)cc1	ZINC22_299760171	353.378	HQAUMHQCBXTDNA-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079758
Cc1ccc(c2noc(CNC(=O)[C@H]3CCCCn4nnnc34)n2)cc1	ZINC22_299760174	353.378	HQAUMHQCBXTDNA-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079759
Cc1ccccc1c1noc(CNC(=O)[C@@H]2CCCCn3nnnc23)n1	ZINC22_299768566	353.378	LEBJUZUUSRCRBN-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079760
Cc1ccccc1c1noc(CNC(=O)[C@H]2CCCCn3nnnc23)n1	ZINC22_299768571	353.378	LEBJUZUUSRCRBN-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079761
Cc1cccc(c2noc(CNC(=O)[C@@H]3CCCCn4nnnc34)n2)c1	ZINC22_299789262	353.378	YJGHWYCTNQEVAR-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079762
Cc1cccc(c2noc(CNC(=O)[C@H]3CCCCn4nnnc34)n2)c1	ZINC22_299789263	353.378	YJGHWYCTNQEVAR-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079763
Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CNc3ncccn3)C2)no1	ZINC22_306144997	353.378	ZUJQBOXCUAMBEO-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079764
Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)no1	ZINC22_306144998	353.378	ZUJQBOXCUAMBEO-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079765
Cc1cc(no1)C(=O)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50373061	353.378	ZUJQBOXCUAMBEO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079766
Cc1nc(c2ccc(CNC(=O)[C@H]3CCCCn4nnnc34)cc2)no1	ZINC22_299793056	353.378	IEXBTMHZOZPNQA-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079767
Cc1nc(c2ccc(CNC(=O)[C@@H]3CCCCn4nnnc34)cc2)no1	ZINC22_299793058	353.378	IEXBTMHZOZPNQA-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079768
Cc1ncoc1C(=O)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_306131983	353.378	KUUGXEZCWBUCHC-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079769
Cc1ncoc1C(=O)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_306131984	353.378	KUUGXEZCWBUCHC-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079770
CCc1cccc2n1nc(n2)C(=O)NC1CCn2c(N(C1=O)C)ccn2	SCHEMBL19641483	353.378	GKTYAUCRLITPLX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079771
CCc1cccc2n1nc(n2)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18366671	353.378	GKTYAUCRLITPLX-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079772
Cn1c(cccc1=O)C(=O)N1CCc2nnc(Cn3cccn3)n2CC1	EMOLS-id_313727962,ZINC22_2055713895	353.378	WSOBMZQVROXXTP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079773
Cn1c(cccc1=O)C(=O)N1CCCn2c(Cn3ccnc3)nnc2C1	ZINC22_1565556076,EMOLS-id_313729493	353.378	MNZUUXZRHXVIBB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079774
Cn1c(cccc1=O)C(=O)N1CCCn2nnc(Cn3cccn3)c2C1	ZINC22_1565550269,EMOLS-id_313729495	353.378	WWXJYJNKEBEIIT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079775
Cn1cccc(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)c1=O	EMOLS-id_313727450,ZINC22_2055713612	353.378	NLEARYWASRSWEL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079776
Cn1cccc(C(=O)N2CCCn3c(Cn4ccnc4)nnc3C2)c1=O	ZINC22_1565555982,EMOLS-id_313733076	353.378	LIYLKTZMZWIOLK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079777
Cn1cccc(C(=O)N2CCCn3nnc(Cn4cccn4)c3C2)c1=O	ZINC22_1565546829,EMOLS-id_313733078	353.378	FFDLIURKNAUMMX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079778
COc1cnccc1C(=O)N1CCc2nnc(Cn3cccn3)n2CC1	EMOLS-id_313728218,ZINC22_2055713889	353.378	VSTVQVNBKIJQJY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079779
COc1cnccc1C(=O)N1CCCn2c(Cn3ccnc3)nnc2C1	ZINC22_1565556294,EMOLS-id_313729749	353.378	QTBZRRROJBVCCF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079780
O=C(c1cc(C2CC2)on1)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_1565542281	353.378	NDZVAYZESHZKCG-LBPRGKRZSA-N	00100000100000000101100000000010000000000000000000000000	31-01-079781
O=C(c1cc(C2CC2)on1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_1614948556	353.378	NDZVAYZESHZKCG-GFCCVEGCSA-N	00100000100000000101100000000010000000000000000000000000	31-01-079782
O=C(c1cc(C2CC2)on1)N1CCc2nnc(Cn3cccn3)n2CC1	EMOLS-id_313727706,ZINC22_2055713715	353.378	BLZGKBTXLCOZQA-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-079783
O=C(c1cc(C2CC2)on1)N1CCCn2c(nnc2Cn2ccnc2)C1	EMOLS-id_313729237,ZINC22_1565553507	353.378	BISCDYBEONYWNL-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-079784
O=C(c1cc(C2CC2)on1)N1CCCn2nnc(Cn3cccn3)c2C1	ZINC22_1565541723,EMOLS-id_313729239	353.378	QLUFHRXVWMOROV-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-079785
O=C(Cn1ccccc1=O)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_1565542763	353.378	PNNUZKKUZRGTPS-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079786
O=C(Cn1ccccc1=O)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_1614939389	353.378	PNNUZKKUZRGTPS-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079787
O=C(Cn1ccccc1=O)N1CCc2nnc(Cn3cccn3)n2CC1	ZINC22_2055713847,EMOLS-id_313728474	353.378	RMOFBDAJZATALL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079788
O=C(Cn1ccccc1=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_313786262	353.378	PNNUZKKUZRGTPS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079789
O=C(Cn1ccccc1=O)N1CCCn2nnc(Cn3cccn3)c2C1	EMOLS-id_313729751,ZINC22_1565549219	353.378	OJOZEZBUWQEBFS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079790
O=C(N1CC(Cn2cncn2)Cn2ccnc2C1)c1cc(on1)C1CC1	EMOLS-id_313722076	353.378	NDZVAYZESHZKCG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-079791
O=C(Nc1cccc(c1)c1n[nH]c(n1)C)NC1CCn2c(CC1)nnn2	MCULE-4807643243,EMOLS-id_320400734,PC-id_145897863	353.382	JBNVOXDTWFVBBK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079792
c12CN(CCC)CCCn1nc(CNc1cc(ccn1)C(F)(F)F)c2	EMOLS-id_44423519,PC-id_70704943,MCULE-1420276408,ZINC22_82083536	353.385	UAFHZLRKCPEPBG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079793
c12CN(CCC)CCCn1nc(CNc1ccc(cn1)C(F)(F)F)c2	PC-id_70784820,ZINC22_82161794,MCULE-8787867101,EMOLS-id_44451463	353.385	HUAXXYGENSKFKG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079794
CC1CCc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL21337033,PC-id_139471038	353.387	NRIQQYUIBKIODL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079795
FC(COc1ncccc1NC(=O)N1CCCc2c(C1)ccs2)F	EMOLS-id_318110155	353.387	WPGSGKCWJGKJQN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-079796
CN(C)C(=O)COCc1nnc2CCN(CCn12)C(=O)C1(F)CCC1	ZINC22_1565547413,EMOLS-id_313734353	353.392	PIUTZDLHGHBRFU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-079797
FC1CN(CC1)Cc1nn2c(CN(CCC2)C(=O)CNC(=O)OC)c1	PC-id_76423909	353.392	DJOLYXFYYVSSIJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-079798
F[C@@H]1CN(CC1)Cc1nn2c(CN(CCC2)C(=O)CNC(=O)OC)c1	PC-id_56886477	353.392	DJOLYXFYYVSSIJ-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-079799
Fc1cccc(c1)n1ccc(n1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_316425362,MCULE-3372313914	353.393	MZRGSFRDAJWJKP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079800
Fc1ccc(CN2CCc3nnc(COc4ccccn4)n3CC2)cc1	PC-id_97381536,ZINC22_96058879	353.393	FWHOGZVGMTZUJE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-079801
Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CNS(=O)(=O)C)C2)on1	ZINC22_253600210	353.397	JRKOONACQXOABA-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079802
Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CNS(=O)(=O)C)C2)on1	ZINC22_253600211	353.397	JRKOONACQXOABA-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-079803
Cc1cc(on1)C(=O)N1CC(CNS(=O)(=O)C)Cn2nccc2C1	EMOLS-id_50374471	353.397	JRKOONACQXOABA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079804
s1c2CCCCCCc2c(c1NC(=O)c1c(OCC)cccc1)C#N	PC-id_4398903	354.466	NARYQACCEIKKMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081078
Cc1ncoc1C(=O)N1Cc2ccnn2C[C@H](CNS(=O)(=O)C)C1	ZINC22_248043001	353.397	PLEMMFOPODJQNT-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079805
Cc1ncoc1C(=O)N1Cc2ccnn2C[C@@H](CNS(=O)(=O)C)C1	ZINC22_248043008	353.397	PLEMMFOPODJQNT-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-079806
Cc1ncoc1C(=O)N1CC(CNS(=O)(=O)C)Cn2nccc2C1	EMOLS-id_50375571	353.397	PLEMMFOPODJQNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079807
Cc1ocnc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70741420,MCULE-7577982713,ZINC22_82114414,EMOLS-id_44436445	353.397	GKWXQZAWGJBRFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079808
Cc1oncc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70749650,MCULE-2510829525,ZINC22_82120808,EMOLS-id_44439281	353.397	FXVKYCUMURMYBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079809
CCn1ncc(c1C)S(=O)(=O)N1CCCn2nc(cc2C1)C(=O)O	MCULE-2409294963,PC-id_50970794,ZINC22_65431609,EMOLS-id_32411030	353.397	OMRAHYQKCCZHAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079810
O=C(NC(C(=O)N)C(=O)N)NNC(=O)c1cc2c(s1)CCCCC2	GD-id_ZINC45450370	353.397	QCAMVAPYOUPVOI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-079811
S(=O)(=O)(NCC1n2c(noc2=O)CCCC1)Cc1nc(N)ccc1	PC-id_22901388	353.397	IKADFEFEOGFFCP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079812
c12C(=O)NCCCc1nc(NC(=O)c1cccc(c1)n1cccn1)s2	PC-id_72720016,MCULE-6536145807,EMOLS-id_50139249,ZINC22_211130744	353.398	YRQPDPZEQIXXSB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079813
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(n[nH]1)c1ccccc1	PC-id_90625274	353.398	TYUMBSYYTVWKPD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079814
s1c2c(CCCCCC2)c(c1N)C(=O)c1cc(ccc1)C(F)(F)F	PC-id_54581558	353.402	BPMWHKICSOCXCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-079815
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1C(F)(F)F	PC-id_19985761,SCHEMBL7294996	353.405	FPTZNAVYRRTKBZ-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079816
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc(cc1)C(F)(F)F	SCHEMBL7292876,PC-id_19985825	353.405	AUMGTLWKGGIIBL-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079817
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1)C(F)(F)F	SCHEMBL7294396,PC-id_19985767	353.405	YLNQTSMVBUFGBO-DUXPYHPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079818
s1c2CCN(CCc2nc1N)CC=Cc1ccc(cc1)C(F)(F)F	PC-id_53662783	353.405	AUMGTLWKGGIIBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079819
s1c2CCN(CCc2nc1N)CC=Cc1c(cccc1)C(F)(F)F	PC-id_53812111	353.405	FPTZNAVYRRTKBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079820
s1c2CCN(CCc2nc1N)CC=Cc1cc(ccc1)C(F)(F)F	PC-id_54514614	353.405	YLNQTSMVBUFGBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079821
FC1(F)CC(C1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	ZINC22_1565544877,EMOLS-id_313731799	353.41	UHTBEPVDKQGINL-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-079822
CCCCc1occ2c1CCCC(=C2C)C(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_101789544	353.412	DRNCLLZEIHWOAW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-079823
CCCS(=O)(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_585095289	353.412	NOVGJNFMJHAOGD-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079824
CCCS(=O)(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_585095290	353.412	NOVGJNFMJHAOGD-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079825
CCCS(=O)(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_324080442	353.412	NOVGJNFMJHAOGD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079826
COc1ccc(c(c1F)C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950758	353.412	PRXYJPYQVRVPTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079827
CC(C)(C)OC(=O)N1CCc2c(CC1)n([nH]c2=O)C(=O)OC(C)(C)C	PC-id_135367811,SCHEMBL20547140	353.413	FISIABNFTJLYDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-079828
c12CN(CCCn1nc(C(CC)O)c2)C(=O)c1cccc2cc(C)oc12	EMOLS-id_55645272,MCULE-9992256860,PC-id_91775013	353.415	SBJKZRUOLZJHOF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079829
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc2c(CCC2)c1	PC-id_56902489,ZINC22_72439730,MCULE-5793001801,EMOLS-id_43137324	353.415	GHRUJJCAQWGEFJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079830
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)C1CCc2ccccc12	EMOLS-id_43164750,MCULE-8335924863,PC-id_70773907	353.415	AROLIKIVIOWPPV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079831
c12CN(CCCn1nc(CO)c2)C(=O)Cc1coc2cc(C)cc(C)c12	MCULE-8087524331,PC-id_91773243,EMOLS-id_55640238	353.415	STMXSYACBRTRLG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079832
c1(ccc2CN(CCCn12)C(=O)c1ccccc1)C(=O)N1CCOCC1	MCULE-2346509728,EMOLS-id_317418079	353.415	SKHUOIFKGPMQBT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079833
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3ccc(CO)o3)C2)n1	MCULE-1364669463,EMOLS-id_55642038,PC-id_91773886	353.415	NKGLFHIRAPUFPC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-079834
c1(C(=O)OC)cc2n(CCCN(C(=O)CC3CCc4ccccc34)C2)n1	EMOLS-id_32393056,MCULE-2962982259,PC-id_50961246	353.415	RHXBZOJTMICSLJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079835
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1cccc2c1oc(c2)C)O	PC-id_99974334	353.415	SBJKZRUOLZJHOF-GOSISDBHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079836
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1cccc2c1oc(c2)C)O	PC-id_99974335	353.415	SBJKZRUOLZJHOF-SFHVURJKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079837
CCOC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(cc1)C	SCHEMBL19702777	353.415	MFHRVPXTRWTRPJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-079838
COC(=O)c1cc2n(n1)CCCN(C(=O)C[C@@H]1CCc3ccccc13)C2	ZINC22_65397608,PC-id_95126003	353.415	RHXBZOJTMICSLJ-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079839
COC(=O)c1cc2n(n1)CCCN(C(=O)C[C@H]1CCc3ccccc13)C2	ZINC22_65397609,PC-id_95126004	353.415	RHXBZOJTMICSLJ-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079840
COC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)C	SCHEMBL19702787	353.415	FQFAWNQZHVSJJZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-079841
n1n2CCCN(Cc3ccc(cc3)c3ccco3)Cc2cc1C(CO)O	MCULE-9157470978,EMOLS-id_50529309,PC-id_90648291	353.415	UJVZMBWTTYHLBP-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-079842
O=C1CCCCN1c1cccc(c1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100924767	353.415	NQWSPBYITABDON-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079843
O=C1CC[C@@H](NC(=O)N2CCCc3occc3C2)[C@H](c2ccccc2)N1	ZINC22_334021272	353.415	DDGUFQFQIRSMET-APWZRJJASA-N	00000000100010110100100000000010000000000000000000000000	31-01-079844
O=C(C1CC1)c1ccc(cc1)COC(=O)N1CCCc2[nH]cnc2CC1	PC-id_20803080	353.415	UUHLOUMJPCZRMX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-079845
O=C(C1Cc2ccccc2O1)N1CC(Cn2nccc2C1)OCC1CC1	EMOLS-id_313812516	353.415	GZOKSHFGHJLXHY-UHFFFAOYSA-N	00100010100000100101000000001010000000000000000000000000	31-01-079846
O=C(c1ccccc1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111823620	353.415	CZHLZJVGPBPLPE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-079847
OCc1ccc(o1)CN1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_99974143	353.415	NKGLFHIRAPUFPC-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-079848
OCc1ccc(o1)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_99974144	353.415	NKGLFHIRAPUFPC-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-079849
O=C(c1noc2c1CCCCC2)NC1CC(N(C1=O)c1ccccc1)C	EMOLS-id_101012822	353.415	WDRAWNGWHQJMJZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079850
O=C(c1noc2c1CCCCC2)NCc1cccc(c1)N1CCCC1=O	EMOLS-id_100932258	353.415	WCLCUYNPSYIEBI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079851
O=C([C@@H]1Cc2ccccc2O1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_585099053	353.415	GZOKSHFGHJLXHY-HKUYNNGSSA-N	00100010100000100101000000001010000000000000000000000000	31-01-079852
O=C([C@H]1Cc2ccccc2O1)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_585099054	353.415	GZOKSHFGHJLXHY-IEBWSBKVSA-N	00100010100000100101000000001010000000000000000000000000	31-01-079853
O=C([C@@H]1Cc2ccccc2O1)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_585099055	353.415	GZOKSHFGHJLXHY-MJGOQNOKSA-N	00100010100000100101000000001010000000000000000000000000	31-01-079854
O=C([C@H]1Cc2ccccc2O1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_585099056	353.415	GZOKSHFGHJLXHY-PKOBYXMFSA-N	00100010100000100101000000001010000000000000000000000000	31-01-079855
OC[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(c3ccco3)cc1)C2	ZINC22_218910592,PC-id_100029538	353.415	UJVZMBWTTYHLBP-LJQANCHMSA-N	00000000101000110101100000000010000000000000000000000000	31-01-079856
OC[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(c3ccco3)cc1)C2	ZINC22_218910672,PC-id_100029539	353.415	UJVZMBWTTYHLBP-IBGZPJMESA-N	00000000101000110101100000000010000000000000000000000000	31-01-079857
O=C(N1CCc2c(CC1)nc[nH]2)OCCc1ccc(cc1)C(=O)C1CC1	PC-id_142022561	353.415	NLLGORFZSBNTHZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-079858
O=C(N1CCCc2c(C1)cco2)Nc1ccc2c(c1)nc(o2)C(C)(C)C	EMOLS-id_99348544	353.415	HZQDGUGSRAQOPF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079859
O=C(N1CCNC(=O)C1c1ccccc1C)c1noc2c1CCCCC2	EMOLS-id_100143574	353.415	RGWQAXCWGLSGOH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079860
O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1noc2c1CCCCC2	ZINC22_127455338	353.415	XDKIAVJDYWHCJC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079861
O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1noc2c1CCCCC2	EMOLS-id_324010031,PC-id_145895933,ZINC22_124757642,MCULE-2201303315	353.415	HZSPVORIACPSNE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079862
O=C(O)CCc1cc2n(n1)CCCN(C(=O)[C@@H]1CCc3ccccc13)C2	PC-id_95894819,ZINC22_72475400	353.415	AROLIKIVIOWPPV-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079863
O=C(O)CCc1cc2n(n1)CCCN(C(=O)[C@H]1CCc3ccccc13)C2	ZINC22_72475399,PC-id_95894818	353.415	AROLIKIVIOWPPV-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079864
COc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625587	353.417	RYCAGDDMMUYLBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079865
COc1cc(ccc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625619	353.417	ZTZHZCNWFVMMJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079866
COc1ccccc1S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625627	353.417	KGTRCJPJYPIAGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079867
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)c1ccccn1	PC-id_72903348,ZINC22_91746865,EMOLS-id_46072649,MCULE-3196665391	353.418	GYSAVDCOBLCTCF-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-079868
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)c1cccnc1	MCULE-6084493857,ZINC22_91650708,PC-id_72888708,EMOLS-id_46062055	353.418	KTSVJJSEZSOROU-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-079869
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)c1ccncc1	EMOLS-id_46065195,MCULE-8394180631,PC-id_72893225,ZINC22_91665237	353.418	TUSSYHXOZNQPIC-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-079870
c12CN(CCCn1nc(C#N)c2)C(=O)C(CC)Nc1cccc(OC)c1	SCHEMBL16100591,PC-id_50948046,EMOLS-id_32367698,MCULE-2430745124	353.418	CVXWXCSZZYRTIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079871
c12CN(CCCn1nc(CNC(=O)c1ccccn1)c2)C(=O)C1CCC1	EMOLS-id_44430407,MCULE-3841037779,PC-id_70724418,ZINC22_82098791	353.418	KDZYKZUPZWIJPM-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-079872
c12CN(CCCn1nc(CNC(=O)c1ccncc1)c2)C(=O)C1CCC1	MCULE-5645410939,PC-id_70762016,ZINC22_82134533,EMOLS-id_44443513	353.418	MMIYVOGHTLNFDC-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-079873
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(cc1)C#N	PC-id_70784314,ZINC22_82161584,MCULE-3397336541,EMOLS-id_44451297	353.418	USDIDXNEOINVJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079874
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cccc(c1)C#N	ZINC22_82120462,PC-id_70748229,MCULE-9910783892,EMOLS-id_44438777	353.418	MLCLOBJTMZJBNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079875
c1(C(C(C)C)NC(=O)c2cc3c(cccc3)o2)nnc2CCNCCn12	PC-id_56713463,MCULE-3659531426,EMOLS-id_36447075	353.418	KQOGVSQKGOUJRX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079876
c1(CN2CCCn3c(cc(n3)C(=O)OC)C2)n(CC)c2c(cccc2)n1	ZINC22_65451422,EMOLS-id_32414006,PC-id_50972385,MCULE-3559903999	353.418	DXOBIEAREQVCGV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079877
C1CN(Cc2cc(nn2C1)C(c1ccccc1)O)CCn1cc[nH]c1=O	PC-id_91784596	353.418	SARACCGHBSGOHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079878
c1(CN(C)C(=O)Nc2ccc3c(CC(=O)N3)c2)c2CCCCCc2[nH]n1	EMOLS-id_48629540,ZINC22_95505007,PC-id_72863727,MCULE-8063739547	353.418	CZPZPSAEVNYSHB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079879
c1(c[nH]nc1c1ccc(c(OC)c1)OC)CN1CCCn2cncc2C1	PC-id_56915709,EMOLS-id_43176215,ZINC22_72170076,MCULE-9820828281	353.418	WZYYKKWEQCBYBP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079880
c1(C(=O)Nc2ccccc2)cc2n(CCCN(C2)C(=O)N2CCCC2)n1	ZINC22_65371614,PC-id_50949675,EMOLS-id_32370944,MCULE-8949159741	353.418	XUCYOLYEWCDXMZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079881
c1(C(=O)Nc2ccc(c(c2)N2CCCC2=O)C)cn2c(CCNCC2)n1	ZINC22_1857718724,EMOLS-id_330408191,MCULE-3367619405	353.418	QDJCZENGXMWKDI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079882
c1(C(=O)NCc2cc3n(CCCNC3)n2)cc2c(cc(cc2)OC)n1C	EMOLS-id_49664474,ZINC22_97641932,PC-id_74242633,MCULE-9736833871	353.418	PDGWYGXVOZKUSF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079883
c1(C(=O)NCc2cc3n(CCCNC3)n2)cc2c(ccc(OC)c2)n1C	EMOLS-id_49679274,PC-id_74249899,ZINC22_97797238,MCULE-8433520228	353.418	WSVFOVUJMOIGFE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079884
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)[nH]nc(c2ccc(C)o2)c1	ZINC22_91574231,MCULE-5608276370,EMOLS-id_44715128,PC-id_70733516	353.418	VIPVJHIQXBFZIZ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-079885
C1(=O)c2ccccc2CN1CCC(=O)NCc1cc2n(CCCNC2)n1	MCULE-9763259763,EMOLS-id_44424455,PC-id_70707605,ZINC22_82087226	353.418	FRIDEUAJECSFCP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079886
CC1Cc2nnc(COc3ccc(C)nc3)n2CCN1Cc1ccco1	EMOLS-id_313823524	353.418	VJXYFAKQPCREAF-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079887
CC1Cc2nnc(COc3cccnc3)n2CCN1Cc1ccc(C)o1	EMOLS-id_313825061	353.418	CFOWGRADMMSCLK-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079888
CC1Cc2nnc(COc3cccnc3)n2CCN1C(=O)C1=CCCC1	EMOLS-id_313823781	353.418	NOEDPDNOVJERBK-UHFFFAOYSA-N	00000011100000101101000000000010000000000000000000000000	31-01-079889
CC1CC(C1)C(=O)N1CCCn2cnc(C(=O)Nc3cccnc3)c2C1	EMOLS-id_313787706,ZINC22_1565545340	353.418	DFQBNHMGKZIGGH-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-079890
CC1CC(C1)C(=O)N1CC(Cn2ncnc2C1)C(=O)Nc1ccccc1	EMOLS-id_313721815	353.418	TWNATFSXOSRQLL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-079891
Cc1cccc(c1)C1C(=O)NCCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278209541	353.418	ZRNLBLRKUJSQEY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-079892
Cc1ccccc1C(=O)N1CCc2nnc(CNC(=O)C3CC3)n2CC1	PC-id_42340658,MCULE-6654106081,ZINC22_11995840,EMOLS-id_20461463,CoCoCo_1216118	353.418	UVYALCDWEXWNNR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-079893
Cc1cccc(CO[C@H]2CN(Cc3cc(C)on3)Cc3ccnn3C2)n1	ZINC22_306128693	353.418	HILIGFUNBCKXIQ-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-079894
Cc1cccc(CO[C@@H]2CN(Cc3cc(C)on3)Cc3ccnn3C2)n1	ZINC22_306128694	353.418	HILIGFUNBCKXIQ-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079895
Cc1cccc(C(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)n1	ZINC22_96084640,EMOLS-id_46182297,PC-id_97405463	353.418	QZSMJVMIZDJVBW-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-079896
Cc1ccc(cn1)C(=O)N1Cc2ccnn2CCC1CN1CCCC1=O	EMOLS-id_313744052	353.418	BZCHPKAZNTWNTE-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-079897
Cc1ccc(cn1)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	ZINC22_96259350,PC-id_97519434,EMOLS-id_44370248	353.418	LPWLFFSLJRHKBM-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-079898
Cc1ccc(CN2CCn3c(COc4cccnc4)nnc3C[C@@H]2C)o1	ZINC22_585096909	353.418	CFOWGRADMMSCLK-AWEZNQCLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079899
Cc1ccc(CN2CCn3c(COc4cccnc4)nnc3C[C@H]2C)o1	ZINC22_585096912	353.418	CFOWGRADMMSCLK-CQSZACIVSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079900
Cc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2=O)cn1	ZINC22_585096744	353.418	BZCHPKAZNTWNTE-INIZCTEOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-079901
Cc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2=O)cn1	ZINC22_585096745	353.418	BZCHPKAZNTWNTE-MRXNPFEDSA-N	00000010100000101101000000000010000000000000000000000000	31-01-079902
Cc1cc(CN2Cc3cncn3C[C@H](COCc3ccccn3)C2)no1	ZINC22_96207447,PC-id_97475574	353.418	DXKUDQHGRBGGMY-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079903
Cc1cc(CN2Cc3cncn3C[C@@H](COCc3ccccn3)C2)no1	ZINC22_96207448,PC-id_97475575	353.418	DXKUDQHGRBGGMY-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079904
Cc1cc(CN2CC(Cn3nccc3C2)OCc2cccc(C)n2)no1	EMOLS-id_50014920	353.418	HILIGFUNBCKXIQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079905
Cc1cc(CN2CC(COCc3ccccn3)Cn3cncc3C2)no1	EMOLS-id_49230175	353.418	DXKUDQHGRBGGMY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079906
Cc1ccc(OCc2nnc3n2CCN(Cc2ccco2)[C@@H](C)C3)cn1	ZINC22_585098602	353.418	VJXYFAKQPCREAF-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079907
Cc1ccc(OCc2nnc3n2CCN(Cc2ccco2)[C@H](C)C3)cn1	ZINC22_585098604	353.418	VJXYFAKQPCREAF-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-079908
CC1CC(C(=O)N2Cc3ncnn3C[C@H](C(=O)Nc3ccccc3)C2)C1	ZINC22_1565549560	353.418	TWNATFSXOSRQLL-YMAMQOFZSA-N	00001000100000110101000000000010000000000000000000000000	31-01-079909
CC1CC(C(=O)N2Cc3ncnn3C[C@@H](C(=O)Nc3ccccc3)C2)C1	ZINC22_1614934143	353.418	TWNATFSXOSRQLL-NRXISQOPSA-N	00001000100000110101000000000010000000000000000000000000	31-01-079910
Cc1ccnc(OCC2CN(Cc3cncn3C2)C(=O)C2CC=CC2)n1	EMOLS-id_49236065	353.418	OKMVQGDJDJCCKH-UHFFFAOYSA-N	00000011100000100101000000000010000000000000000000000000	31-01-079911
Cc1ccnc(OC[C@H]2CN(C(=O)C3CC=CC3)Cc3cncn3C2)n1	ZINC22_96217457,PC-id_97484513	353.418	OKMVQGDJDJCCKH-HNNXBMFYSA-N	00000011100000100101000000000010000000000000000000000000	31-01-079912
Cc1ccnc(OC[C@@H]2CN(C(=O)C3CC=CC3)Cc3cncn3C2)n1	ZINC22_96217460,PC-id_97484516	353.418	OKMVQGDJDJCCKH-OAHLLOKOSA-N	00000011100000100101000000000010000000000000000000000000	31-01-079913
Cc1cncc(c1)C(=O)N1Cc2ccnn2CCC1CN1CCCC1=O	EMOLS-id_313816363	353.418	BTAXMLHLUAZNBD-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-079914
Cc1cncc(c1)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	PC-id_97405464,EMOLS-id_46182299,ZINC22_96084641	353.418	MHALTAYOAQICDC-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-079915
Cc1cncc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2=O)c1	ZINC22_585096740	353.418	BTAXMLHLUAZNBD-INIZCTEOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-079916
Cc1cncc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2=O)c1	ZINC22_585096741	353.418	BTAXMLHLUAZNBD-MRXNPFEDSA-N	00000010100000101101000000000010000000000000000000000000	31-01-079917
Cc1nc2onc(c2c(c1)C(=O)N1CCCc2c(C1)cnn2C)C(C)C	EMOLS-id_101670218	353.418	MHDXILNMYZHNFQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079918
Cc1noc(C)c1CN1Cc2cncn2C[C@H](COc2ccccn2)C1	PC-id_97474646,ZINC22_96206484	353.418	ILEBRRUTMVMDEU-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079919
Cc1noc(C)c1CN1Cc2cncn2C[C@@H](COc2ccccn2)C1	PC-id_97474647,ZINC22_96206485	353.418	ILEBRRUTMVMDEU-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079920
Cc1noc(C)c1CN1CC(COc2ccccn2)Cn2cncc2C1	EMOLS-id_49228669	353.418	ILEBRRUTMVMDEU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079921
CC(C)C1N(CCCn2ccnc12)C(=O)c1ccc(Cn2ccnc2)o1	EMOLS-id_97001868	353.418	FJUNBBCBZUYVDN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-079922
CC(C)[C@H](NC(=O)c1cc2ccccc2o1)c1nnc2n1CCNCC2	PC-id_95204215,ZINC22_67713593	353.418	KQOGVSQKGOUJRX-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079923
CC(C)[C@@H](NC(=O)c1cc2ccccc2o1)c1nnc2n1CCNCC2	ZINC22_67713594,PC-id_95204216	353.418	KQOGVSQKGOUJRX-QGZVFWFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079924
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1[nH]nc2c1cccc2)O	PC-id_99970417	353.418	CZTYAYWHFQFNIY-GOSISDBHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079925
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1[nH]nc2c1cccc2)O	PC-id_99970418	353.418	CZTYAYWHFQFNIY-SFHVURJKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079926
CC[C@H](Nc1cccc(OC)c1)C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_65365993,PC-id_95119412	353.418	CVXWXCSZZYRTIA-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079927
CC[C@@H](Nc1cccc(OC)c1)C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_65365995,PC-id_95119413	353.418	CVXWXCSZZYRTIA-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079928
CCC(O)c1cc2CN(CCCn2n1)C(=O)Cc1n[nH]c2ccccc12	EMOLS-id_55603146,MCULE-1705329448,PC-id_91760125	353.418	CZTYAYWHFQFNIY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079929
C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1C(=O)C1=CCCC1	ZINC22_585097736	353.418	NOEDPDNOVJERBK-AWEZNQCLSA-N	00000011100000101101000000000010000000000000000000000000	31-01-079930
C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1C(=O)C1=CCCC1	ZINC22_585097737	353.418	NOEDPDNOVJERBK-CQSZACIVSA-N	00000011100000101101000000000010000000000000000000000000	31-01-079931
C[C@H](c1cc2n(n1)CCCN(C2)C(=O)CCc1nc2n(c1)cccc2)O	PC-id_99974061	353.418	DWWSYGGJEVCMIH-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079932
C[C@@H](c1cc2n(n1)CCCN(C2)C(=O)CCc1nc2n(c1)cccc2)O	PC-id_99974062	353.418	DWWSYGGJEVCMIH-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079933
CC(O)c1cc2CN(CCCn2n1)C(=O)Cc1ccc2[nH]c(C)nc2c1	MCULE-3355837269,EMOLS-id_55644144,PC-id_91774610	353.418	NTSLOYKTYZHERM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079934
CC(O)c1cc2CN(CCCn2n1)C(=O)CCc1cn2ccccc2n1	MCULE-3865891177,EMOLS-id_55640196,PC-id_91773227	353.418	DWWSYGGJEVCMIH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079935
CCOC[C@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cncn2C1	PC-id_97475300,ZINC22_96207171	353.418	WYOBLNRPHPTLQZ-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079936
CCOC[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cncn2C1	PC-id_97475301,ZINC22_96207174	353.418	WYOBLNRPHPTLQZ-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079937
CCOC(=O)c1c(C)[nH]c(c1C)C=C(c1nnc2n1CCCCC2)C#N	MCULE-9233472502,EMOLS-id_42935080,PC-id_136276749	353.418	WFAWAOGTCQHNGX-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-079938
CCOC(=O)c1c([nH]c(c1C)/C=C(C#N)/c1nnc2n1CCCCC2)C	PC-id_135575959	353.418	WFAWAOGTCQHNGX-GXDHUFHOSA-N	00000000110000000101000000000010000000000000000000000000	31-01-079939
CCOC(=O)c1c([nH]c(c1C)/C=C(/C#N)c1nnc2n1CCCCC2)C	PC-id_136237230	353.418	WFAWAOGTCQHNGX-UVTDQMKNSA-N	00000000110000000101000000000010000000000000000000000000	31-01-079940
Cn1c(=O)n2CCC(CCc2n1)N(C)C(=O)Cc1c[nH]c2ccccc12	PC-id_91922700	353.418	RFEHJIMIYWSKTH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079941
CN1C(=O)N(Cc2nnc3n2CCCCC3)C(=O)[C@H]1Cc1ccccc1	PC-id_99797214,ZINC22_170613703	353.418	CUJXPEXDQISNMS-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079942
CN1C(=O)N(Cc2nnc3n2CCCCC3)C(=O)[C@@H]1Cc1ccccc1	PC-id_99797216,ZINC22_170613705	353.418	CUJXPEXDQISNMS-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079943
CN1C(=O)N(C(=O)C1Cc1ccccc1)Cc1nnc2n1CCCCC2	PC-id_102563109,MCULE-4015568754	353.418	CUJXPEXDQISNMS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079944
Cn1nc2CCN(CCn2c1=O)C(=O)CCCc1c[nH]c2ccccc12	PC-id_91922390,EMOLS-id_50589931,MCULE-1934831118	353.418	MECHZMWKAMHIGG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079945
COc1cccc(c2nccn2Cc2nnc3n2CCCCC3)c1OC	EMOLS-id_49640784,ZINC22_72433844,PC-id_72082659,MCULE-8192510374	353.418	QARJZROJNQFLQA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-079946
COC1C/C=C/N=C(c2n(/C(=C/1)/C)c(=O)n(n2)CC1=CC=CC=CC1)N	PC-id_144188796	353.418	RUIQVLBYNMWTTG-OXDGOREKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-079947
COCc1nnc2CCC(CCn12)NC(=O)Cc1c[nH]c2ccccc12	EMOLS-id_50590321,PC-id_91910764,MCULE-1815865503	353.418	FUTVQORRSDWUKQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079948
COCc1nnc2n1CCN(C(=O)c1cn(C)c3ccccc13)[C@H](C)C2	ZINC22_585097693	353.418	MRPFMXNNGKVFRE-CYBMUJFWSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079949
COCc1nnc2n1CCN(C(=O)c1cn(C)c3ccccc13)[C@@H](C)C2	ZINC22_585097695	353.418	MRPFMXNNGKVFRE-ZDUSSCGKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079950
COCCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc(cc1)C#N	MCULE-9125017008,EMOLS-id_320272777	353.418	FXYTYMIIHKPYTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079951
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)[C@H]1CCC(=O)N1	PC-id_56722493,EMOLS-id_36465589,ZINC22_67974864,MCULE-4005663183	353.418	RWCVMEAFJFSQAG-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079952
N#CCCN(C(=O)C1CCn2c(CC1)nnc2)c1ccc(cc1)OCC	EMOLS-id_316558086	353.418	CJHOROPAYRWISR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079953
O1N=C(CC1c1ccccc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_56005715	353.418	HARHDRXSHZIKPC-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-079954
O=C1CCC(N1)c1ccccc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_316717794	353.418	QHPYKWASRMVOSA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079955
O=C1N=C2N(C1(CC(=O)NCc1n[nH]c3c1CCCCC3)C)C=CC=C2	PC-id_56740071	353.418	PWMGZDDJBOCVGJ-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-079956
O=C1N(CCC1)c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24676661	353.418	GIFCJPYJKRJSIV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079957
O=C1N(CC(C1)C(=O)NCc1n2CCCCCc2nn1)c1ccccc1	MCULE-7902043520,PC-id_45878490,EMOLS-id_30022703	353.418	WWAOWJQVZXRZPZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079958
O=C(C1CCn2c(CC1)nnc2)Nc1cc(ccc1C)NC(=O)C1CC1	EMOLS-id_319380066	353.418	UPGQUBUDGUZIPO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-079959
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1C(=O)N1CCCC1	EMOLS-id_257960242,MCULE-2610504128	353.418	SYYVCRASGKTJQI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079960
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)C(=O)N1CCCC1	MCULE-9420066668,EMOLS-id_319982226	353.418	HAPNWOQOMKRWBU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079961
O=C(c1cc(nc2c1c(C)no2)C(C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101669224	353.418	MOORJXCTHWHCES-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079962
O=C(CC1NC(=O)c2c1cccc2)NCCc1nnc2n1CCCCC2	EMOLS-id_278262485	353.418	FAMYMCQATMPQOJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079963
OCC(Cc1c[nH]c2c1cccc2)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319548580	353.418	PUTLVXRFSQLWIN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079964
O=C(CCCc1c[nH]c2ccccc12)NC1CCc2n[nH]c(=O)n2CC1	PC-id_91910799,EMOLS-id_50586151	353.418	DFOMLIRWSIWDIQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-079965
O(CC(=O)NCCc1n2CCCCCc2nn1)c1ccc(cc1)CC#N	PC-id_52259218	353.418	NDILJJROPUEFIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079966
O[C@H](c1nn2c(c1)CN(CCC2)CCn1cc[nH]c1=O)c1ccccc1	PC-id_99981206	353.418	SARACCGHBSGOHD-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079967
O[C@@H](c1nn2c(c1)CN(CCC2)CCn1cc[nH]c1=O)c1ccccc1	PC-id_99981209	353.418	SARACCGHBSGOHD-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-079968
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)N1CCCC1=O	EMOLS-id_101968500	353.418	ZYDVZWZEPUPRGF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079969
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1N1CCCC1=O	EMOLS-id_101968554	353.418	JJBCTUHNTLSQPO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079970
O=C(N1CCCc2c(C1)cnn2C)NC1CC(=O)N(C1)c1ccccc1	EMOLS-id_101730876	353.418	ORZKJSKQQGJGSG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079971
O=C(N1CCCc2c(C1)cnn2C)NCC(=O)N1CCc2c1cccc2	EMOLS-id_101716658	353.418	OYWYGZCEMPINCX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-079972
O=C(N1CCCn2c(C1)cc(n2)[C@H](O)C)Cc1ccc2c(c1)[nH]c(n2)C	PC-id_99974257	353.418	NTSLOYKTYZHERM-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079973
O=C(N1CCCn2c(C1)cc(n2)[C@@H](O)C)Cc1ccc2c(c1)[nH]c(n2)C	PC-id_99974258	353.418	NTSLOYKTYZHERM-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079974
O=C(N1CCn2c(nnc2CCc2ccccc2)CC1)C1NC(=O)CC1	PC-id_76407056	353.418	RWCVMEAFJFSQAG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-079975
O=C(NCc1nnc2n1CCCCC2)c1cccc(N2CCCC2=O)c1	MCULE-8842206488,EMOLS-id_30737083,ZINC22_48354011,PC-id_47014568	353.418	HXIKARUXEMHBON-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079976
O=C(NCc1nnc2n1CCCCC2)[C@@H]1CC(=O)N(c2ccccc2)C1	CoCoCo_4823426,ZINC22_40074170,PC-id_51937879	353.418	WWAOWJQVZXRZPZ-CQSZACIVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079977
O=C(NCc1nnc2n1CCCCC2)[C@H]1CC(=O)N(c2ccccc2)C1	PC-id_51937880,ZINC22_40074171,CoCoCo_4823427	353.418	WWAOWJQVZXRZPZ-AWEZNQCLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-079978
O(C(=O)C1=C(/C(=C/C(=C/N3CCCCCC3=NN2)/C#N)/N=C1C)C)CC	PC-id_72069343	353.418	GPTZXYNWEOIUMB-GQIGLLADSA-N	00000011000000000111000000000010000000000000000000000000	31-01-079979
O(C(=O)C1=C(C(=CC(=C2N3CCCCCC3=NN2)C#N)N=C1C)C)CC	PC-id_9353364	353.418	GPTZXYNWEOIUMB-UHFFFAOYSA-N	00000011000000000111000000000010000000000000000000000000	31-01-079980
c12c(cccc1nn(C)n2)NC(=O)N(C)Cc1c2CCCCCc2[nH]n1	MCULE-9647136865,PC-id_74243027,ZINC22_97654234,EMOLS-id_49665270	353.422	SVXSSBFXBNBXCA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079981
c12C(CCCCn1nnn2)C(=O)NCc1nc2c(cccc2)n1C(C)C	EMOLS-id_68927233,PC-id_118788585,MCULE-6966318073	353.422	LWGOUVFGJALCOO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079982
c12CN(CCCn1nc(CNc1nc(C)ccc1C#N)c2)C(=O)N(C)C	PC-id_72901298,MCULE-6563308509,EMOLS-id_46071181,ZINC22_91745182	353.422	CFOCRLRUMQZZSY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079983
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CCC)C(=O)OC	PC-id_4541976	353.433	AOKAKSUNWCOFHH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080044
c12nc(C)cc(C(=O)NCc3cc4n(CCCNC4)n3)c1c(nn2C)C	EMOLS-id_49680822,MCULE-4115166528,ZINC22_97813744,PC-id_74250663	353.422	GMIJGADADOHSTD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079984
c1(C(C(C)C)NC(=O)c2c3ccccc3[nH]n2)nnc2CCNCCn12	EMOLS-id_36442782,MCULE-5081891466,PC-id_56711385	353.422	URAJUFXEXBZXJU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079985
c1(C(C(C)C)NC(=O)c2cc3n(cccc3)n2)nnc2CCNCCn12	EMOLS-id_36429674,PC-id_56705124,MCULE-3331411731	353.422	VBVOPLOWAWTOEW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079986
CC1Cc2nnc(COc3ccccn3)n2CCN1Cc1cc(C)n[nH]1	EMOLS-id_313825572	353.422	SWTGQNWETHVKQV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079987
CC1Cc2nnc(COc3ccccn3)n2CCN1Cc1cnn(C)c1	EMOLS-id_313826084	353.422	SADIOVNMTXXZMF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079988
CC1Cc2nnc(COc3cccnc3)n2CCN1Cc1cc(C)n[nH]1	EMOLS-id_313824293	353.422	MCCDHWJPGSZYER-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079989
Cc1cc(CN2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)no1	ZINC22_306124125	353.422	BGTFTZHJKLTFMI-HNNXBMFYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079990
Cc1cc(CN2Cc3ccnn3C[C@H](CCNc3ncccn3)C2)no1	ZINC22_306124126	353.422	BGTFTZHJKLTFMI-OAHLLOKOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079991
Cc1cc(CN2CCn3c(COc4ccccn4)nnc3C[C@@H]2C)n[nH]1	ZINC22_585098278	353.422	SWTGQNWETHVKQV-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079992
Cc1cc(CN2CCn3c(COc4ccccn4)nnc3C[C@H]2C)n[nH]1	ZINC22_585098279	353.422	SWTGQNWETHVKQV-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079993
Cc1cc(CN2CCn3c(COc4cccnc4)nnc3C[C@@H]2C)n[nH]1	ZINC22_585097572	353.422	MCCDHWJPGSZYER-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079994
Cc1cc(CN2CCn3c(COc4cccnc4)nnc3C[C@H]2C)n[nH]1	ZINC22_585097573	353.422	MCCDHWJPGSZYER-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-079995
Cc1cc(C)n2c(n1)c(cn2)C(=O)N[C@@H](c1nnc2n1CCCCC2)C	CoCoCo_4806994	353.422	GAGNXPBIXUOOBS-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079996
Cc1cc(C)n2c(n1)c(cn2)C(=O)N[C@H](c1nnc2n1CCCCC2)C	CoCoCo_4806995	353.422	GAGNXPBIXUOOBS-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079997
Cc1cc(C(=O)NCc2nnc3n2CCCCC3)c2c(C)nn(C)c2n1	MCULE-4902069825,EMOLS-id_44054357,ZINC22_48343377,PC-id_47019795	353.422	HRIMIIYNKIPFJX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-079998
Cc1c(CN2Cc3ccnn3CCC2COc2cnccn2)cnn1C	EMOLS-id_313742262	353.422	XMRZNBIHVOIFHI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-079999
Cc1c(CN2Cc3ccnn3CC[C@H]2COc2cnccn2)cnn1C	ZINC22_585098401	353.422	XMRZNBIHVOIFHI-KRWDZBQOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080000
Cc1c(CN2Cc3ccnn3CC[C@@H]2COc2cnccn2)cnn1C	ZINC22_585098403	353.422	XMRZNBIHVOIFHI-QGZVFWFLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080001
Cc1c(C(=O)NCCCc2nnc3n2CCCCC3)cnc2ccnn12	ZINC22_2325790037	353.422	IHZQMXWQSINNNA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080002
Cc1cnnn1Cc1ncn2c1CN(C(=O)C1(C#N)CCCC1)CCC2	ZINC22_1565548938,EMOLS-id_313785754	353.422	JACKHXOYGBAMET-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-080003
Cc1cnnn1Cc1ncn2c1CN(C(=O)CCc1ccc[nH]1)CCC2	ZINC22_1565549251,EMOLS-id_313730013	353.422	OROQOZDSZAUACY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-080004
Cc1noc(C)c1CN1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_306130408	353.422	JFGZKJZZCVUABW-HNNXBMFYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080005
Cc1noc(C)c1CN1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_306130409	353.422	JFGZKJZZCVUABW-OAHLLOKOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080006
Cc1noc(C)c1CN1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_55734195	353.422	JFGZKJZZCVUABW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080007
CCC(c1nnc2n1CCCCC2)NC(=O)Cn1ncc2c1nccc2	EMOLS-id_316631500	353.422	TYOONKLITGDOLB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080008
CC(C)[C@H](NC(=O)c1cc2ccccn2n1)c1nnc2n1CCNCC2	PC-id_95199098,ZINC22_67673352	353.422	VBVOPLOWAWTOEW-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080009
CC(C)[C@@H](NC(=O)c1cc2ccccn2n1)c1nnc2n1CCNCC2	ZINC22_67673353,PC-id_95199099	353.422	VBVOPLOWAWTOEW-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080010
CC(C)[C@H](NC(=O)c1n[nH]c2ccccc12)c1nnc2n1CCNCC2	PC-id_95219876,ZINC22_67871624	353.422	URAJUFXEXBZXJU-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080011
CC(C)[C@@H](NC(=O)c1n[nH]c2ccccc12)c1nnc2n1CCNCC2	PC-id_95219877,ZINC22_67871625	353.422	URAJUFXEXBZXJU-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080012
CC(C)n1c(CNC(=O)[C@@H]2CCCCn3nnnc23)nc2ccccc12	ZINC22_299795225	353.422	LWGOUVFGJALCOO-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080013
CC(C)n1c(CNC(=O)[C@H]2CCCCn3nnnc23)nc2ccccc12	ZINC22_299795240	353.422	LWGOUVFGJALCOO-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080014
CC(C)n1ncc2cc(C(=O)NCc3nnc4n3CCCCC4)cnc12	MCULE-6718946709,PC-id_17539433,CoCoCo_4625782,ZINC22_12782180,EMOLS-id_44054349	353.422	NOBOKJYNCIZMJV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080015
C[C@H]1Cc2nnc(COc3ccccn3)n2CCN1Cc1cnn(C)c1	ZINC22_585098210	353.422	SADIOVNMTXXZMF-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080016
C[C@@H]1Cc2nnc(COc3ccccn3)n2CCN1Cc1cnn(C)c1	ZINC22_585098211	353.422	SADIOVNMTXXZMF-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080017
C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1Cc1cnn(C)c1	ZINC22_585098560	353.422	UWMDBKGZBNUKNZ-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080018
C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1Cc1cnn(C)c1	ZINC22_585098563	353.422	UWMDBKGZBNUKNZ-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080019
CCn1c(N)nc2cc(cnc12)C(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_43587627,PC-id_70758663,MCULE-8965358226,ZINC22_77456868	353.422	FOTHEQVBSBWRGW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080020
CN(C(=O)Cn1nc(c2c1nccc2)C)Cc1nnc2n1CCCCC2	EMOLS-id_319274503	353.422	LWUVGNWSRRVLON-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080021
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2n(c1)c(nn2)C(C)C	EMOLS-id_101852557	353.422	DHVZXSMCCCTUPR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080022
O=C(NC(c1n2CCCCCc2nn1)C)c1c2n(nc1)c(cc(n2)C)C	PC-id_42955754	353.422	GAGNXPBIXUOOBS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080023
CN=C(NCc1nnc2n1cccc2)NCc1nnc2n1CCCCC2	PC-id_111015711	353.425	JEHZUSWROXCVCG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080024
s1c2CCCCCCc2cc1C(=O)NCCc1n(ccn1)C(F)F	PC-id_56412572	353.43	AUUPRBODHHLWPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080025
c1(c2CCCCCc2sc1NC(=O)CCC(=O)O)C(=O)OC(C)C	CHEMBL1528474,EMOLS-id_4031595,ZINC22_5727292,CoCoCo_6827802,MCULE-2631338117,TIMTEC126028,PC-id_4093727	353.433	DMFBRLQAGUGLKY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080026
c1(cc2c(CCCCC2)s1)C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)O	EMOLS-id_55620708,ZINC22_218936821,MCULE-4168635702	353.433	BPGMKBJSROMEGE-CHWSQXEVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-080027
c1(cc2c(CCCCC2)s1)C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)O	MCULE-7882387838,EMOLS-id_55618020,ZINC22_218803811	353.433	CTMBHXWTLSNSSN-OLZOCXBDSA-N	00000000100010000100000000000010000000000000000000000000	31-01-080028
C1CCc2c(CC1)sc(c2)C(=O)NC1CCOCC1OCC(=O)O	PC-id_91766378	353.433	BPGMKBJSROMEGE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-080029
C1CCc2c(CC1)sc(c2)C(=O)NC1COCCC1OCC(=O)O	PC-id_91765440	353.433	CTMBHXWTLSNSSN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-080030
c1(NC(=O)CCCC(=O)O)sc2c(CCCCC2)c1C(=O)OCC	SPECS-id_AK-968/11987385,TIMTEC441626,CoCoCo_6797587,EMOLS-id_2369084,ZINC22_5021096,PC-id_2862787,MCULE-6764998349	353.433	SAKSIBBWJKPBGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080031
c1(NC(=O)CCCC(=O)O)sc2c(CCCCCC2)c1C(=O)OC	PC-id_4551227,CoCoCo_5833148,MCULE-9605285573,EMOLS-id_4031573,TIMTEC62391,ZINC22_6179795	353.433	ATNBKNFCEODYPQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080032
c1(NC(=O)CCC(=O)OC)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_5598537,MCULE-3347892959,PC-id_4685241,TIMTEC417661,EMOLS-id_4031569,CoCoCo_5806858	353.433	QZNZVBOLUYKURI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080033
c1(NC(=O)CCC(=O)O)sc2c(CCCCC2)c1C(=O)OCCC	ChEMBL-DNDi_CHEMBL1545840,PC-id_4322751,EMOLS-id_2575650,CHEMBL1545840,ZINC22_3634122,CoCoCo_1849737,TIMTEC242608,MCULE-6041338997	353.433	JMNMDKNQWLSFEX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080034
c1(NC(=O)CCC(=O)O)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_2017828,PC-id_1740695,ZINC22_2081358,ChEMBL-DNDi_CHEMBL5691920,TIMTEC533400,MCULE-9509943473,CoCoCo_682827	353.433	WSUNAFGFKQEHAA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080035
CCN1C(=C(C)SC(c2c1c(C(=O)OC)c(o2)C(=O)OC)(C)C)C	PC-id_102146217	353.433	FSRLPVTXQVCLQO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-080036
CCOC(=O)c1c(NC(=O)COC(=O)C)sc2c1CCCCCC2	PC-id_17388826,MCULE-1986641151	353.433	XIQIQWZDSBVRDG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080037
CCOC(=O)C(NC(=O)c1cc2c(s1)CCCCC2)C(=O)OCC	ZINC22_25982361,PC-id_33248089,MCULE-4775650921,EMOLS-id_44520533	353.433	UISRLDNLSNDJMI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080038
COC(=O)CC(C(=O)OC)NC(=O)c1sc2c(c1)CCCCCC2	MCULE-2675578904,EMOLS-id_18882742,PC-id_42941248	353.433	QOAOYNQBNZLPOD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080039
COC(=O)C[C@H](NC(=O)c1cc2c(s1)CCCCCC2)C(=O)OC	CoCoCo_4645204,ZINC22_12857465,PC-id_25556784	353.433	QOAOYNQBNZLPOD-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080040
COC(=O)C[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)C(=O)OC	PC-id_25556778,ZINC22_12857458,CoCoCo_4645203	353.433	QOAOYNQBNZLPOD-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080041
O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)c1cc2c(s1)CCCCC2	ZINC22_1565508482	353.433	BPGMKBJSROMEGE-STQMWFEESA-N	00000000100010000100000000000010000000000000000000000000	31-01-080042
s1c2CCCCCc2cc1C(=O)OCC(=O)NCCCC(=O)OC	PC-id_9402957	353.433	YNWWRFXSKBULQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080043
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C(C)C)C(=O)OC	PC-id_7782351	353.433	NGXJHCGRWROJEI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080045
O=S(=O)(c1ccccc1c1ccccc1)N1CCCc2occc2C1	ZINC22_2325870295	353.435	RMCSUTWWFLGCSA-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-080046
s1c2CCCCCc2cc1C(=O)OCc1oc(c2ccccc2)cn1	PC-id_16509443	353.435	WBKHXHCKBWNHCO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080047
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c2c([nH]c1)cccc2	PC-id_7351982	353.435	CACGSKUXSBLPPZ-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-080048
COC(=O)C1OCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890409	353.437	SMBHLDWDZSIUMH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080049
O=C([C@@H]1CCCN1C(=O)c1noc2c1CCCCC2)N=S(=O)(C)C	EMOLS-id_316566638	353.437	XQXYESJXEUTIIC-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-080050
O=C(NNC(=O)c1cc2c(s1)CCCCC2)NCC1COCCO1	EMOLS-id_44541518,PC-id_71889430,MCULE-5082573110	353.437	PECSCRRQMWAFLK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080051
O=C(NNC(=O)c1cc2c(s1)CCCCC2)NC[C@@H]1COCCO1	PC-id_94663423	353.437	PECSCRRQMWAFLK-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080052
O=C(NNC(=O)c1cc2c(s1)CCCCC2)NC[C@H]1COCCO1	PC-id_94663424	353.437	PECSCRRQMWAFLK-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080053
s1c2CCCCCc2cc1C(=O)NNC(=O)CCNC(=O)OCC	PC-id_46426900	353.437	ZIKZSCJUXGRTLQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080054
s1c2c(CCCCC2)c(c1NC(=O)CNCC(=O)NC)C(=O)OC	PC-id_8771916	353.437	BJCXAOSZSRNMQA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080055
C1CN(CCc2c1nc(o2)C(=O)Nc1ccccc1)Cc1cccs1	PC-id_134807442	353.438	OOUNZXSZSUURQR-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-080056
c1(NC(=O)c2ccc(cc2)C#N)sc2c(CCCCC2)c1C(=O)NC	MCULE-6631988158,EMOLS-id_31745811,PC-id_7475068,ZINC22_5055776	353.438	HYXJBFMIQHWIIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080057
c1(NC(=O)CON=Cc2ccccc2)sc2c(CCCCC2)c1C#N	MCULE-9647666984,PC-id_1911287	353.438	VXUNSTVHVWFTJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080058
Cc1cccc2c1[nH]c(c2N=NC(=O)c1cc2c(s1)CCCCC2)O	PC-id_135731457	353.438	JGBZHLHLAUHRFL-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-080059
Cc1ccccc1c1cnc(NC(=O)N2CCCc3occc3C2)s1	ZINC22_585083930,EMOLS-id_177263602,MCULE-3717889371	353.438	IYPVMTTXHSLGDW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080060
CNc1ccc(cn1)/C=C/C=C/Cc1nc2=CC(=C(CC=c2s1)O)O	PC-id_144649842	353.438	OOGNNCBOFJQSAJ-ZUVMSYQZSA-N	00000000100000101111000000000010000000000000000000000000	31-01-080061
N#Cc1c(NC(=O)CO/N=Cc2ccccc2)sc2c1CCCCC2	CoCoCo_5959656	353.438	VXUNSTVHVWFTJW-MTJSOVHGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080062
N#Cc1c(NC(=O)CO/N=C/c2ccccc2)sc2c1CCCCC2	PC-id_6882846,CoCoCo_5959655,STOCK2S-27527,ZINC22_2289500,EMOLS-id_3742946	353.438	VXUNSTVHVWFTJW-CIAFOILYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080063
N#CC(C(=O)c1sc2c(c1)CCCCCC2)C(=O)Nc1ccccn1	EMOLS-id_44538567,PC-id_71890853,MCULE-4652060342	353.438	QANAUOKCWZHAPF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-080064
N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)CCCCCC2	PC-id_98284694,ZINC22_102140937	353.438	QANAUOKCWZHAPF-AWEZNQCLSA-N	00000000100000101100000000000010000000000000000000000000	31-01-080065
N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)CCCCCC2	PC-id_98284695,ZINC22_102140942	353.438	QANAUOKCWZHAPF-CQSZACIVSA-N	00000000100000101100000000000010000000000000000000000000	31-01-080066
O=C(c1cc2c(s1)CCCCC2)Nc1cc(ccc1C)c1nnco1	EMOLS-id_98292498	353.438	UXCMTEUTSLLVHO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080067
O=C(Cc1cccs1)N1Cc2cccn2C[C@H](Oc2cccnc2)C1	ZINC22_247808061	353.438	CMJXHWXQGBKSQA-KRWDZBQOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-080068
O=C(Cc1cccs1)N1Cc2cccn2C[C@@H](Oc2cccnc2)C1	ZINC22_247808065	353.438	CMJXHWXQGBKSQA-QGZVFWFLSA-N	00000000100100101101000000000010000000000000000000000000	31-01-080069
O=C(Cc1cccs1)N1CC(Cn2cccc2C1)Oc1cccnc1	EMOLS-id_50014160	353.438	CMJXHWXQGBKSQA-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-080070
s1c2CCCCCc2cc1C(=O)NNC1=c2c(=NC1=O)c(ccc2)C	PC-id_8159731	353.438	ZAQNFQNVMLZMIE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-080071
s1c2CCCCCc2cc1C(=O)NN=Cc1ccc(OCC#N)cc1	PC-id_84972616	353.438	TVHGBMBPAOOMHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080072
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc2[nH]ccc2cc1	PC-id_40394295	353.438	BLONQKPVAXHWLR-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-080073
s1c2CCCCCc2cc1C(=O)NNC(=O)c1[nH]c2c(c1)cccc2	PC-id_9163631	353.438	CQKLNBRFQFYDMP-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-080074
s1c2CCCCCc2nc1NC(=O)c1onc(c2ccc(cc2)C)c1	PC-id_46427350	353.438	CSADMLDDCAJVGE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080075
s1c2CCCCCCc2cc1C(=O)Nc1ccc(cc1)c1ocnn1	PC-id_52255145	353.438	ODUSBCQPIADGHW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080076
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(cc1)C#N	PC-id_9441653	353.438	XNVORNHHPAZYKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080077
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(ccc1)C#N	PC-id_9441687	353.438	DYNAYOPQJIDAGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080078
s1c2CCCCCCc2nc1NC(=O)c1noc(c1)c1ccccc1	PC-id_56036995	353.438	VMFLDPRABQCIEY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080079
c1(C(O)c2ccnn2C)cc2n(CCCN(C2)S(=O)(=O)CCC)n1	EMOLS-id_55626898,PC-id_91768551,MCULE-9996634530	353.44	KPHCYJOYVHKZGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080080
Cc1cc(CN2Cc3ccnn3C[C@H](CCNS(=O)(=O)C)C2)no1	ZINC22_306142817	353.44	XKSHGBWVCOOLCV-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080081
Cc1cc(CN2Cc3ccnn3C[C@@H](CCNS(=O)(=O)C)C2)no1	ZINC22_306142818	353.44	XKSHGBWVCOOLCV-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080082
Cc1cc(CN2CC(CCNS(=O)(=O)C)Cn3nccc3C2)no1	EMOLS-id_50374949	353.44	XKSHGBWVCOOLCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080083
CCCS(=O)(=O)N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1	PC-id_100035064,ZINC22_219197353	353.44	KPHCYJOYVHKZGS-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080084
CCCS(=O)(=O)N1CCCn2nc([C@H](O)c3ccnn3C)cc2C1	ZINC22_219197432,PC-id_100035067	353.44	KPHCYJOYVHKZGS-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080085
COCC1CN(Cc2cncn2C1)S(=O)(=O)c1c(C)nn(C)c1C	EMOLS-id_49229747	353.44	WBGBBJQGMGYOFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080086
COC[C@@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2cncn2C1	PC-id_97475303,ZINC22_96207176	353.44	WBGBBJQGMGYOFE-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080087
COC[C@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2cncn2C1	PC-id_97475304,ZINC22_96207177	353.44	WBGBBJQGMGYOFE-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080088
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1csc(c3cccnc3)n1)n2	PC-id_50980638,ZINC22_65505523,MCULE-2415128352,EMOLS-id_32429604	353.441	XVFATFWLYUYZGZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080089
c1(C(=O)Nc2ccccc2)cc2n(CCCN(Cc3sccn3)C2)n1	MCULE-8825296670,PC-id_50952608,EMOLS-id_32376614,ZINC22_65375927	353.441	OKXLHKJWDPKXAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080090
c1(C(=O)Nc2nnc(Cc3ccccc3)s2)c2CCCCCc2[nH]n1	EMOLS-id_323250875,MCULE-2765452754	353.441	WHNMDWMZXININM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080091
Cc1nn(c2ccccc2)nc1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_24005916,PC-id_25540854,ZINC22_12828120,CoCoCo_4546177,MCULE-4887139347	353.441	ADJVHROTGHGOKR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080092
Cc1nnc([nH]1)c1ccc(cc1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_99787603	353.441	MURMUNIHWHZBFQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080093
Cc1scc(c1)c1ncccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319870624,MCULE-2906890217	353.441	JHOYCKNOEQDVJI-UHFFFAOYSA-N	00000000100100101101100000000010000000000000000000000000	31-01-080094
Cn1cnc(n1)c1ccc(cc1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_99109952	353.441	QODYSNKBYZENIC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080095
Cn1nnnc1c1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1	EMOLS-id_45741968,ZINC22_11336493,MCULE-6207497414,PC-id_17536101	353.441	VSADYBMEPVXECK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080096
CN(C(=O)C1CCn2c(CC1)nnc2)c1ccc(cc1)c1nccs1	EMOLS-id_316493723	353.441	NIPDFKCMEVLAJA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080097
O=c1n2CCCCCc2nn1C[NH+](Cc1cn(nc1)c1ccccc1)C	PC-id_41725628	353.441	FQCJQZPZMVTOJK-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-080098
O=C(c1cc2c(s1)CCCCC2)Nc1cc(ccc1C)n1cnnn1	GD-id_ZINC44600866	353.441	BWHOHKAVDHBLEY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080099
O=C(c1ccc(cc1)n1cnnc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_97872819	353.441	JWJJBEBBIIZZCU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080100
O=C(C1CCn2c(CC1)nnc2)Nc1sc(nc1C)c1ccccc1	EMOLS-id_319595359	353.441	FGAGPBFTEIBUGA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080101
O=C(c1ccsc1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_247893766	353.441	ZJEDAVTWDIQUHM-AWEZNQCLSA-N	00000000100100101101000000000010000000000000000000000000	31-01-080102
O=C(c1ccsc1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_247893770	353.441	ZJEDAVTWDIQUHM-CQSZACIVSA-N	00000000100100101101000000000010000000000000000000000000	31-01-080103
O=C(c1cnc2n1CCCCC2)NCc1scc(n1)c1ccccn1	EMOLS-id_258016464,MCULE-4469375751	353.441	NGMIXWYJJKLZLZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080104
O=C(c1sc2c(c1)CCCCCC2)Nc1cccnc1n1ncnc1	EMOLS-id_97898273	353.441	MIHBFKCAZYLZJT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080105
O=C(c1sc2c(c1)CCCCCC2)Nc1ccc(nc1)n1ncnc1	EMOLS-id_99029970	353.441	HQOQBQAARRJFPO-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080106
O=C(c1sc2c(c1)CCCCCC2)Nc1cnn(c1)c1ncccn1	EMOLS-id_99445730	353.441	HEJFKRKKBKXHNU-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-080107
O=C(N1CCc2n(CC1)c(nn2)Cc1ccccc1)Cc1cscn1	ChEMBL-DNDi_CHEMBL37494619	353.441	PLBHKRHICUQYRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080108
O=C(N1CC(CNc2ccccn2)Cn2nccc2C1)c1ccsc1	EMOLS-id_50371017	353.441	ZJEDAVTWDIQUHM-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-080109
O=C(Nc1ccc(n2cnnn2)cc1)c1cc2c(s1)CCCCCC2	MCULE-4871095420,EMOLS-id_45631449,ZINC22_68969628,PC-id_60375086	353.441	ODINCQMROWNRSL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080110
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Cn2cncn2)cc1	MCULE-2637708595,CoCoCo_4546271,PC-id_17489544,ZINC22_11527611,EMOLS-id_15279310	353.441	OMTVMOMFLVJSOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080111
O=C(Nc1nc2c(s1)CCCCC2)c1cn(Cc2ccccc2)nn1	ZINC22_12854995,CoCoCo_4610755,PC-id_25555001,EMOLS-id_18882121,MCULE-5265735506	353.441	NFCTYAZZABPWPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080112
O=C(NCc1cccnc1n1cncn1)c1cc2c(s1)CCCCC2	MCULE-9965978680,PC-id_53508155,EMOLS-id_35710756,ZINC22_47122641	353.441	LZBITUOTJHRMRQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080113
O=C(NCc1nnc2n1CCCCC2)c1csc(c2ccccc2)n1	MCULE-8608943772,CoCoCo_4336679,EMOLS-id_29977285,ZINC22_40012928,PC-id_45859670	353.441	QSUNEKTXCVMUER-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080114
s1c2CCCCCCc2cc1C(=O)Nc1nc([nH]n1)c1ncccc1	PC-id_52685626	353.441	AZRDKSNYZDHORG-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080115
S(c1n2CCCCCc2nn1)Cc1[nH]c(nc(=O)c1)c1ccccc1	PC-id_52164007	353.441	MBXYVTABORNWEZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080116
s1c2CCCCCc2cc1C(=O)Nc1ccc(SC(F)F)cc1	PC-id_7945005	353.45	GIWXGOYRTWKDOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080117
CCCCc1cccc(c1)C(=O)c1ccc2n1CCCCC2C(=O)OC	PC-id_20484259,SCHEMBL11197274	353.455	ZJNISDSNQFXGOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080118
CCCCc1cccc(c1)C(=O)c1c(C)cc2n1CCCCC2C(=O)O	PC-id_20484015,SCHEMBL11198568	353.455	AVXMLOOMJYIHCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080119
CC(CCOC(=O)C1CCCCn2c1ccc2C(=O)c1ccccc1)C	PC-id_20484046,SCHEMBL11196844	353.455	XGQOBXKLVZVPNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080120
CCOC(=O)c1cc(c2-c1c(ccc(c2)C(C)C)C)C=CC(C)(C)N=O	PC-id_87882142,SCHEMBL5711234	353.455	MOZBJTVYMDGSLA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-080121
CC(OC(=O)C1CCCC(n2c1cc(c2)C)C(=O)c1ccc(cc1)C)C	PC-id_20484039,SCHEMBL11198256	353.455	AVKCTPLKQNDKAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080122
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1ccccc1C)C)C	PC-id_20483957,SCHEMBL11197592	353.455	JJSSJFQSLOLZGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080123
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1cccc(c1)C)C)C	SCHEMBL11206929,PC-id_20484207	353.455	STWNIVDOSVZNPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080124
O=C1C(CCCCCCCc2n(cc1c2)Cc1ccccc1)C(=O)OC	PC-id_10546011	353.455	SKCAXZGQGIATLK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080125
O=C(c1c2-c(c(c1)C)cc(C(C)C)ccc2C)/C(=C/c1ccccc1)/C#N	PC-id_71816902	353.456	BTNUUGHZOOUKCR-FYJGNVAPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-080126
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCOCC1)C(=O)OC	PC-id_2239009	353.456	IIZOPRNUNYVVMM-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-080127
SC(C(=O)C1C=CC(=O)n2c(S1)ccc2C(=O)O)CC(C)(C)C	PC-id_140379978	353.456	LSZFREZEDFNAIL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-080128
c12C(=O)NCCCc1[nH]c(CC1(CCOC(C)(C)C1)c1ccccc1)n2	EMOLS-id_32420670,PC-id_50975924,MCULE-6211630939	353.458	FJMNFXAOVKKCMZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080129
C1CC1CNC(=O)c1nc2c(o1)CCN(CC2)CCCc1ccccc1	PC-id_134809580	353.458	WFWUSAJAMCTHEI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-080130
C1CCC(C1)CN1CCc2c(CC1)oc(n2)C(=O)NCc1ccccc1	PC-id_134807997	353.458	ZAHYFZQEIJDEAQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080131
c1(C(O)C2CC2)cc2n(CCCN(CC=Cc3ccc(cc3)OC)C2)n1	MCULE-7852496374,PC-id_91772724	353.458	CRDGYWCCXMQOBR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-080132
c1(C(=O)N2CCN(CC2)c2cc(C)ccc2C)c2CCCCCc2on1	CoCoCo_2401384,EMOLS-id_16234773,CHEMBL1563550,MCULE-6018056654,TIMTEC86151,ZINC22_6901797,PC-id_16023508	353.458	BTPXRAWZWMAPHA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080133
c1(C(=O)N2CCN(CC2)c2cccc(C)c2C)c2CCCCCc2on1	TIMTEC367938,MCULE-9746356540,CHEMBL1398706,EMOLS-id_16234771,PC-id_16023506,ZINC22_6901795,CoCoCo_2401383	353.458	OWFLJGXYXNZIOM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080134
c1(C(=O)NC2CCN(CC2)Cc2ccccc2)c2CCCCCc2on1	ZINC22_36360037,STOCK6S-91848,MCULE-2933551195,EMOLS-id_29928187,PC-id_45494327	353.458	DFBDGSYTAUEKNK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080135
CC1(C)C[C@@](Cc2nc3c([nH]2)CCCNC3=O)(c2ccccc2)CCO1	PC-id_95137394,ZINC22_65464941	353.458	FJMNFXAOVKKCMZ-OAQYLSRUSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080136
CC1(C)C[C@](Cc2nc3c([nH]2)CCCNC3=O)(c2ccccc2)CCO1	ZINC22_65464947,PC-id_95137397	353.458	FJMNFXAOVKKCMZ-NRFANRHFSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080137
CC1CC(CN1Cc1ccccc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100095534	353.458	MLEPVMKSPXCUQL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080138
CC1CN(CC1NC(=O)c1noc2c1CCCCC2)Cc1ccccc1	EMOLS-id_101010619	353.458	JTTSDTWWXLUEEV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080139
CCc1c(c(ccc1)CC)N(C)C(=O)c1nn(c2c1CCCCC2=O)C	PC-id_89895698,SCHEMBL15377690	353.458	UIMDZBQKRUTDNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080140
CC(c1ccccc1)N1CCC(C1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100094505	353.458	ZZGTZQVTGPLLEZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080141
CC(c1cccc(c1)N1CCCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100103646	353.458	WBRWTXKYJINNLZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080142
CCC(c1nn2c(c1)CN(CCC2)C(=O)CC1Cc2c(C1)cccc2)O	PC-id_90653012,MCULE-2755408767,EMOLS-id_50546683	353.458	JREXKMNDKXIHMD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080143
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)CC1Cc2c(C1)cccc2)O	PC-id_100067323	353.458	JREXKMNDKXIHMD-FQEVSTJZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080144
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)CC1Cc2c(C1)cccc2)O	PC-id_100067324	353.458	JREXKMNDKXIHMD-HXUWFJFHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080145
C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1noc2c1CCCCC2	ZINC22_249068105	353.458	JTTSDTWWXLUEEV-CRAIPNDOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080146
C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1noc2c1CCCCC2	ZINC22_249068107	353.458	JTTSDTWWXLUEEV-MAUKXSAKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080147
CCOCC1CN(Cc2cncn2C1)C(=O)CC1Cc2ccccc2C1	EMOLS-id_49231207	353.458	YKKDACOZPZRDET-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080148
CCOC[C@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2cncn2C1	ZINC22_96208133,PC-id_97476260	353.458	YKKDACOZPZRDET-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080149
CCOC[C@@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2cncn2C1	ZINC22_96208134,PC-id_97476261	353.458	YKKDACOZPZRDET-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080150
COc1ccc(/C=C/CN2CCCn3nc(cc3C2)C(O)C2CC2)cc1	EMOLS-id_55638782	353.458	CRDGYWCCXMQOBR-DUXPYHPUSA-N	00100000100000110101000000000010000000000000000000000000	31-01-080151
COc1ccc(/C=C/CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)cc1	ZINC22_219700601,PC-id_100045880	353.458	CRDGYWCCXMQOBR-XAFBZQIESA-N	00100000100000110101000000000010000000000000000000000000	31-01-080152
COc1ccc(/C=C/CN2CCCn3nc([C@H](O)C4CC4)cc3C2)cc1	ZINC22_219700664,PC-id_100045882	353.458	CRDGYWCCXMQOBR-ZZNNXKBLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-080153
OC(C1CCCCN1C(=O)c1cnc2n1CCCCC2)c1ccccc1	EMOLS-id_278956896	353.458	SQMIDDKEZSEIIY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080154
O=C(c1noc2c1CCCCC2)Nc1ccc(cc1)CCN1CCCC1	EMOLS-id_100094454	353.458	ULRRQMOFIDSLQS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080155
O=C(c1noc2c1CCCCC2)Nc1cccc(c1)CCN1CCCC1	EMOLS-id_100164991	353.458	JKEWNOWCUUQHID-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080156
O=C(c1noc2c1CCCCC2)NCC1(Cc2c(C1)cccc2)N(C)C	EMOLS-id_100103406	353.458	GXKFIODVTNQGDZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080157
O=C(c1noc2c1CCCCC2)NCc1ccccc1CN1CCCC1	EMOLS-id_100950549	353.458	IPIUYRAWJCXLEM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080158
O=C(c1noc2c1CCCCC2)NCC(c1ccccc1)N1CCCC1	EMOLS-id_100939947	353.458	RFCFMKMXFQBPDW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080159
O=C(CC1CCCC1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_247806405	353.458	BKDVXWYUZQXCDQ-FQEVSTJZSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080160
O=C(CC1CCCC1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_247806408	353.458	BKDVXWYUZQXCDQ-HXUWFJFHSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080161
O=C(CC1CCCC1)N1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_50008116	353.458	BKDVXWYUZQXCDQ-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080162
O=C(NC(C)C)C(=O)NN=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_84987980	353.458	FFLLUWHRTVFCIA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-080163
Cc1nccc(c1)NC(C(=C)c1c[nH]c2=CC=CCC=c12)c1ccccc1	PC-id_139374550,SCHEMBL21228620	353.46	DQLNKWYUXOUUCU-UHFFFAOYSA-N	00000000100000111110000000000010000000000000000000000000	31-01-080164
CC(C)COC[C@@H](O)CNC(=O)NCCc1nnc2n1CCCCC2	PC-id_52215927,ZINC22_45383316	353.46	HAMNQUTYZZKHQM-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080165
CC(C)COC[C@H](O)CNC(=O)NCCc1nnc2n1CCCCC2	ZINC22_45383312,PC-id_52215926	353.46	HAMNQUTYZZKHQM-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080166
Cn1ncc(c1)S(=O)(=O)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110245080	353.46	SDTHYZCAGAVMHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080167
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)NCc1cccs1	MCULE-2612445953,EMOLS-id_317417820	353.46	QZVKPSWHQGAGSU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080168
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C	CHEBI:113310,PC-id_44487423	353.46	WAHUPRWPWKVPJH-OFQRWUPVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080169
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C	CHEBI:95489,PC-id_44486369	353.46	WAHUPRWPWKVPJH-YCPHGPKFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080170
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C	CHEBI:95953,PC-id_44485078	353.46	WAHUPRWPWKVPJH-IJEWVQPXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080171
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C	CHEBI:96249,PC-id_44488709	353.46	WAHUPRWPWKVPJH-LZWOXQAQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080172
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C	CHEBI:96747,PC-id_44488707	353.46	WAHUPRWPWKVPJH-IIAWOOMASA-N	00000000100000000101000000000010000000000000000000000000	31-01-080173
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C	PC-id_44485080,CHEBI:96938	353.46	WAHUPRWPWKVPJH-FMKPAKJESA-N	00000000100000000101000000000010000000000000000000000000	31-01-080174
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C	PC-id_44485764,CHEBI:95950	353.46	WAHUPRWPWKVPJH-SQWLQELKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080175
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C	PC-id_44486973,CHEBI:97032	353.46	WAHUPRWPWKVPJH-DZKIICNBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080176
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C	CHEBI:113427,PC-id_44489278	353.46	PFQPPSPXSKCUPO-SQWLQELKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080177
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C	CHEBI:96927,PC-id_44489814	353.46	PFQPPSPXSKCUPO-IJEWVQPXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080178
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C	PC-id_44488167,CHEBI:96823	353.46	PFQPPSPXSKCUPO-LZWOXQAQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080179
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C	PC-id_44489277	353.46	PFQPPSPXSKCUPO-OFQRWUPVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080180
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C	PC-id_44490874	353.46	PFQPPSPXSKCUPO-FMKPAKJESA-N	00000000100000000101000000000010000000000000000000000000	31-01-080181
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C	PC-id_44491463,CHEBI:96875	353.46	PFQPPSPXSKCUPO-IIAWOOMASA-N	00000000100000000101000000000010000000000000000000000000	31-01-080182
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C	PC-id_44491464,CHEBI:96786	353.46	PFQPPSPXSKCUPO-DZKIICNBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080183
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C	PC-id_44492063	353.46	PFQPPSPXSKCUPO-YCPHGPKFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080184
O=C(c1sc2c(c1)CCCCCC2)NS(=O)(=O)c1ccnn1C	EMOLS-id_112053083	353.46	VKDNCPCMSPNWBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080185
O=C(CN1CSCC1=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_33335993,MCULE-8220135155,PC-id_31363689	353.46	BJOOZNUWSCWTBF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-080186
OC(CNC(=O)NCCc1nnc2n1CCCCC2)COCC(C)C	PC-id_53532870,MCULE-8360271756,EMOLS-id_44130532	353.46	HAMNQUTYZZKHQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080187
s1c2CCCCCc2cc1C(=O)NNC(=O)CN1CCSC1=O	PC-id_9092552	353.46	PJOBHDDGKSQRTE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-080188
c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)Cc1cccnc1	EMOLS-id_46086765,ZINC22_91943125,MCULE-4335540645,PC-id_72922767	353.461	IDCDKXOHMJNEHM-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080189
c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)Cc1ccncc1	EMOLS-id_46085509,PC-id_72921055,ZINC22_91915283,MCULE-2518553674	353.461	SZTFIQRCVFFQPU-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080190
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)Cc1cccc(C)n1	ZINC22_91364629,EMOLS-id_46035097,PC-id_72851346,MCULE-3871434761	353.461	DALCKXJVZCEJIR-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-080191
c1(C(C(C)C)NC(=O)C2(c3ccccc3)CC2)nnc2CCNCCn12	EMOLS-id_36423380,PC-id_56702136,MCULE-5637952197	353.461	SYURNGLAKPKPJZ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-080192
c1(cccnc1N(C)Cc1c2CCCCCc2[nH]n1)C(=O)N1CCCC1	EMOLS-id_316162514,MCULE-3186304004,PC-id_134703334,ZINC22_1529146308	353.461	MJNOJIFOVHBXPC-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080193
c1(C(=O)N2CCCN(c3ccccn3)CC2)c2CCCCCCc2[nH]n1	MCULE-5103917844,CoCoCo_495614,EMOLS-id_24888366,CoCoCo_495617,CoCoCo_495616,CoCoCo_495615,ZINC22_19402094,PC-id_46970915,SYN-20036848	353.461	GKEMZNYAQXAGRQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080194
c1(C(=O)N2CCN(CC2)CCc2ccccn2)c2CCCCCc2n[nH]1	PC-id_75490110,STOCK7S-47029,ZINC22_96231761,MCULE-3482619327,EMOLS-id_54880501,EMOLS-id_49248502	353.461	GIRWGSCUHXSERE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080195
c1(C(=O)N2CCN(CC2)CCc2ccncc2)c2CCCCCc2[nH]n1	MCULE-3253180744,EMOLS-id_323248826	353.461	UEZBLBRLDHKXRL-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080196
Cc1ccccc1C1(CCCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102162640	353.461	RUFRIYYEQKHIGK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080197
Cc1cccc(c1)C(=O)N1CCCn2c(C1)c(nn2)CN1CCCCC1	PC-id_97519656	353.461	UROMMAVOHFMEJI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080198
Cc1ccc(cc1)C(=O)N1CCCn2c(C1)c(nn2)CN1CCCCC1	PC-id_97519657	353.461	OWKPMUNMEIMYQI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080199
Cc1ccccc1C(=O)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97413617	353.461	RQHAUFGCLYXDFD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080200
Cc1ccc(cc1)C(=O)N1CCCn2c(CN3CCCCC3)nnc2C1	PC-id_97405614,ZINC22_96084791,EMOLS-id_46182611	353.461	UPYQRMCUHGYBPH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080201
Cc1cccc(c1)C(=O)N1CCCn2c(CN3CCCCC3)nnc2C1	PC-id_97519761,EMOLS-id_44370902,ZINC22_96259679	353.461	FBVCCAIVAITWKG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080202
Cc1ccccc1C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_313730263,ZINC22_1565547461	353.461	JICZMJHTLHDMEX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080203
Cc1cccc(c1)NC1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319945934,MCULE-1919639726	353.461	QYPYKULOXMLMAC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080204
Cc1ccccc1NC(=O)N1CCCn2cnc(CN3CCCC3)c2C1	EMOLS-id_44370188,ZINC22_96259321,PC-id_97519405	353.461	LXTTVYBTXGMJIG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080205
O=C(N1CC(C1)Cc1ccccc1)NCCc1nnc2n1CCCCC2	EMOLS-id_318260181	353.461	KPKKHEYYMSZZSO-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-080266
Cc1cc(C)cc(c1)N1CCN(Cc2cc3CNCCCn3n2)CC1=O	ZINC22_72164166,PC-id_56910304,EMOLS-id_43160512,MCULE-9663069003	353.461	QYPWJJIVBKSMID-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080206
Cc1cccc(N2CCN(CC(=O)N3CCCn4cncc4C3)CC2)c1	ZINC22_72130856,PC-id_56886130	353.461	VARVUTLBHSCZMG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080207
Cc1cccc(NC(=O)N2CCCn3cnc(CN4CCCC4)c3C2)c1	EMOLS-id_44370190,ZINC22_96259322,CHEMBL3554172,PC-id_97519406	353.461	ADBLNIJKRHFDRA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080208
CC1C(CCN1Cc1ccccc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278813730	353.461	YJLQSAZMRHMMJJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080209
CC1CCCN(C1)c1nccc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678303	353.461	NDQJDOYKKKSKHY-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-080210
Cc1cccnc1CN1Cc2ccnn2CC[C@H]1CNC(=O)CC1CC1	ZINC22_585097828	353.461	RLVKHNLTTHLBFQ-KRWDZBQOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-080211
Cc1cccnc1CN1Cc2ccnn2CC[C@@H]1CNC(=O)CC1CC1	ZINC22_585097829	353.461	RLVKHNLTTHLBFQ-QGZVFWFLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-080212
Cc1ccc(NC(=O)N2CCCn3cnc(CN4CCCC4)c3C2)cc1	PC-id_97519407,ZINC22_96259323,EMOLS-id_44370192	353.461	ZFMSAHCPOOYONL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080213
CC1CCN(CC1)c1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-7893336487,EMOLS-id_320308029	353.461	BYINATFQYLIXKK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080214
CC1CCN(CC1)c1ccc(cn1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671376	353.461	XSAIVTOIWSZPOO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-080215
Cc1ccnc(c1)C(NC(=O)CCc1cc2CNCCCn2n1)C1CC1	EMOLS-id_43137386,PC-id_70752598,MCULE-7391412475	353.461	YOEKKOBNTNYYMS-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-080216
Cc1ccnc([C@H](NC(=O)CCc2cc3n(n2)CCCNC3)C2CC2)c1	PC-id_95876895,ZINC22_72439792	353.461	YOEKKOBNTNYYMS-HXUWFJFHSA-N	00100000100000101101000000000010000000000000000000000000	31-01-080217
Cc1ccnc([C@@H](NC(=O)CCc2cc3n(n2)CCCNC3)C2CC2)c1	ZINC22_72439795,PC-id_95876896	353.461	YOEKKOBNTNYYMS-FQEVSTJZSA-N	00100000100000101101000000000010000000000000000000000000	31-01-080218
CC1CN(CC1NC(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1	MCULE-4819825304,EMOLS-id_320014740	353.461	SEIOYFANEIXLFA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080219
CC(c1ccccc1)N1CCC(C1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319741017	353.461	BEHBSUXBZBQFNL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080220
CCC1=NOC(CN2CCc3nnc(CCc4ccccc4)n3CC2)C1	MCULE-4193406453,PC-id_91836343,EMOLS-id_55657332	353.461	RQGLQISTKUAHCB-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-080221
CCC1=NO[C@@H](CN2CCc3nnc(CCc4ccccc4)n3CC2)C1	ZINC22_244795952	353.461	RQGLQISTKUAHCB-GOSISDBHSA-N	00000011100000110101000000000010000000000000000000000000	31-01-080222
CCC1=NO[C@H](CN2CCc3nnc(CCc4ccccc4)n3CC2)C1	ZINC22_244795953	353.461	RQGLQISTKUAHCB-SFHVURJKSA-N	00000011100000110101000000000010000000000000000000000000	31-01-080223
CC(C)c1nnc2CCN(CCn12)C(=O)c1ccccc1C1CCNC1	EMOLS-id_43079343,PC-id_56887510,MCULE-3177858854	353.461	IEWFLBKWXIFSQF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080224
CCC(c1nnc2n1CCCCC2)NC(=O)N[C@@H]1C[C@H]1c1ccccc1	EMOLS-id_100728095	353.461	RMBWWBGVBQCDRT-RPCGPGEBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-080225
CC(C)c1nnc2n1CCN(C(=O)c1ccccc1[C@@H]1CCNC1)CC2	PC-id_95711425,ZINC22_72133655	353.461	IEWFLBKWXIFSQF-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080226
CC(C)c1nnc2n1CCN(C(=O)c1ccccc1[C@H]1CCNC1)CC2	ZINC22_72133656,PC-id_95711426	353.461	IEWFLBKWXIFSQF-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080227
CC(C)[C@@H](NC(=O)C1(c2ccccc2)CC1)c1nnc2n1CCNCC2	PC-id_95190133,ZINC22_67473408	353.461	SYURNGLAKPKPJZ-QGZVFWFLSA-N	00100000100000110101100000000010000000000000000000000000	31-01-080228
CC(C)[C@H](NC(=O)C1(c2ccccc2)CC1)c1nnc2n1CCNCC2	ZINC22_67473407,PC-id_95190132	353.461	SYURNGLAKPKPJZ-KRWDZBQOSA-N	00100000100000110101100000000010000000000000000000000000	31-01-080229
C[C@@H]1CN(CCN1C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1	MCULE-3005759051,EMOLS-id_320014253	353.461	ZAKICSWATLCLEF-PYUWXLGESA-N	00000000100010110101000000000010000000000000000000000000	31-01-080230
CN1CCC[C@@H]1C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_316717606	353.461	MHBJAVUNSVOOSB-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080231
CN1CCN(c2ccc(NC(=O)c3c4c(CCCCC4)[nH]n3)cc2)CC1	MCULE-8827110981,EMOLS-id_335106821	353.461	LUEWLQXSWMNWBB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080232
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc3[nH]ccc13)C2	PC-id_100066283,ZINC22_221242750	353.461	ZYZPNVIKUCCKRN-HXUWFJFHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080233
CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1cccc3[nH]ccc13)C2	ZINC22_221242684,PC-id_100066282	353.461	ZYZPNVIKUCCKRN-FQEVSTJZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080234
CN(C)CC(O)c1cc2CN(Cc3cccc4[nH]ccc34)CCCn2n1	MCULE-2516568794,EMOLS-id_50542337,PC-id_90651821	353.461	ZYZPNVIKUCCKRN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080235
CN(C(=O)c1nn2c(c1)CNCCC2)C[C@@H]1CCN(C1)c1ccccc1	PC-id_95120197	353.461	LQQSYTKFHGLYTG-INIZCTEOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080236
CN(C(=O)c1nn2c(c1)CNCCC2)C[C@H]1CCN(C1)c1ccccc1	PC-id_95120198	353.461	LQQSYTKFHGLYTG-MRXNPFEDSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080237
n12CCCCCc1nnc2CNC(=O)c1cccc(C2CCCNC2)c1	EMOLS-id_46611494,PC-id_86284667,MCULE-5617572403	353.461	CYMBVSIUZLBDRA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080238
n12CCCNCc1cc(CNC(=O)c1ccc(cc1)N1CCCCC1)n2	PC-id_70734052,EMOLS-id_44433819,MCULE-3634940825,ZINC22_82107954	353.461	MPTNCYNUSBYPST-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080239
n12CCN(CCc1nnc2Cc1ccccc1)CC(=O)N1CCCCC1	PC-id_118764063,MCULE-8028355023,ZINC22_299767448,EMOLS-id_68876854	353.461	LGEYULTWTDQETL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080240
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)C1CCNCC1	ZINC22_67803701,MCULE-3930232403,PC-id_56709315,EMOLS-id_36438480	353.461	DLTVRSHBQZFVNM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080241
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)[C@@H]1CCCCN1	PC-id_56709200,EMOLS-id_36438240,MCULE-3346166509,ZINC22_67803138	353.461	CEODIIHXOBHESY-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080242
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)CN1CCCC1	EMOLS-id_36424620,MCULE-4072418251,ZINC22_67514363,PC-id_56702722	353.461	XKVJNEBUMHNRLC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080243
N1(CCCCC1c1cccnc1)C(=O)NCc1c2CCCCCc2[nH]n1	PC-id_121494811,MCULE-2607790267,EMOLS-id_177361716	353.461	RWDPEUOUSLLSIS-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-080244
n1c(CNC2CCN(CC2)C(=O)c2ccccn2)c2c(CCCCC2)[nH]1	MCULE-7879453206,ZINC22_828184077,EMOLS-id_232846947	353.461	CDKUNROWUJIUFI-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080245
n1c(CNC2CCN(CC2)C(=O)c2cccnc2)c2c(CCCCC2)[nH]1	MCULE-9576429347,ZINC22_828184637,EMOLS-id_232886864	353.461	GYLAAKDRXFSNKB-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080246
n1c(CNC(=O)C2CCCN(c3ccccn3)C2)c2c(CCCCC2)[nH]1	EMOLS-id_222790152,MCULE-3879531482	353.461	YUJWHEHPPKONOD-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-080247
n1c(CNC(=O)C(c2cccnc2)N2CCCC2)c2c(CCCCC2)[nH]1	PC-id_56739589,EMOLS-id_36566633,MCULE-2665501926	353.461	ZHTBVUQQFRTMMR-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080248
N#CCCCOc1cccc(c1)CNCCc1nnc2n1CCCCC2	MCULE-8750210829,EMOLS-id_51669179,PC-id_119111939	353.461	BXYXBBRYWMATBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080249
O=C1CCCCc2c1ccn2CCCN1CCN(CC1)c1ncccn1	PC-id_142210977	353.461	FIARPKYWRPQSSE-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-080250
O=C(c1c2c(CCCCC2)[nH]n1)NC1CCN(Cc2cnccc2)CC1	MCULE-3948370830,EMOLS-id_323249852	353.461	JVRIGQBIZQJJTP-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080251
O=C(C1CC1)NCc1nnc2n1CCN(CC2)Cc1cc(C)ccc1C	PC-id_28309780,CoCoCo_1146021,CoCoCo_1146020	353.461	LPZDWFHKBBROSN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-080252
O=C(C1CCC1)NCCc1nnc2n1CCN(CC2)Cc1ccccc1	CoCoCo_1291865,CoCoCo_1291864,ChEMBL-DNDi_CHEMBL30708031	353.461	OHVOSXMVFFUMAC-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-080253
O=C(c1cccc(c1C)NCc1nnc2n1CCCCC2)N1CCCC1	EMOLS-id_318117460	353.461	ORWXMDAFQNRORD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080254
O=C(c1ccc(cc1)N1CCCCC1)NCc1nnc2n1CCCCC2	ZINC22_19716076,CoCoCo_506749,SYN-22955324,PC-id_46977463	353.461	WDLNIIWYQOHNNW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080255
O=C(c1ccccc1)N1CCCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_100855299	353.461	VSMGHFGDZOLWJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080256
O=C(C1CCCN1c1ccccc1)NCCc1nnc2n1CCCCC2	EMOLS-id_100579996	353.461	FWXQLEUDZJKMJM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080257
O=C(C1CCn2c(CC1)nnc2)N1CCN(CC1)Cc1ccccc1C	EMOLS-id_319346121	353.461	ASGIAQHDFWLJHB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080258
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1N1CCCCCC1	EMOLS-id_278111856	353.461	NUAOMJYLIVZIPF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080259
O=C(C1CCn2c(CC1)nnc2)NC(c1ccccc1)CN1CCCC1	MCULE-4225087857,EMOLS-id_320238526	353.461	SQAUYGDLXJEUMP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080260
O=C(C1CCN(CC1)Cc1nnc2n1CCCCC2)Nc1ccccc1	EMOLS-id_100844672	353.461	OFZREUVKYILNJZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080261
O=C(Cc1ccccc1)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_313731032,ZINC22_1565545124	353.461	XZVPYLXVKFCYMY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080262
O=C(Cc1ccccc1)NCc1nnc2n1CCN(CC2)CC=C(C)C	CoCoCo_1261399,CoCoCo_1261400	353.461	DGTPXRGEURLEQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080263
O=C(CC(N1CCc2c1cccc2)C)NCc1nnc2n1CCCCC2	EMOLS-id_318352887	353.461	DZHUFFSUXKFYGY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080264
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)c1ccnc(c1)NC1CCC1	MCULE-3009857107,EMOLS-id_319829721	353.461	NEOUXDIWCYOIOM-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-080265
O=C(N1CCCC1)CCc1nn2c(c1)CN(CCC2)Cc1ccccn1	MCULE-4111677428,PC-id_72853789,EMOLS-id_46036817	353.461	TYIPESIKGYCNNS-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080267
O=C(N1CCCc2c(C1)cnn2C)c1ccc(nc1)N1CCCCCC1	EMOLS-id_101669353	353.461	YBAZHVSUKZCXRN-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080268
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1N1CCCCC1	EMOLS-id_101959234	353.461	WEYRHJKWIOOXLG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080269
O=C(N1CCCc2c(C1)cnn2C)NC1CCCN(C1)c1ccccc1	EMOLS-id_101716761	353.461	WWDKCLCCDCGONC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080270
O=C(N1CCCn2c(C1)c(nc2)CN1CCCC1)NCc1ccccc1	PC-id_97410151	353.461	RBGLZZHLQJSVKP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080271
O=C(N1CCn2c(nnc2CCc2ccccc2)CC1)C1NCCCC1	PC-id_76404383	353.461	CEODIIHXOBHESY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080272
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(cc1)C	PC-id_46449517	353.461	GPSDRQREFHGSLY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080273
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(cccc1)C	PC-id_51308070	353.461	ZOXZJAMHGNOTQM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080274
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc(ccc1)C	PC-id_51308077	353.461	MMGXITYQAMWZKM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080275
O=C(N1N(CCCC1C)c1ccccc1)c1nn2c(CN(CCC2)C)c1	PC-id_50982156	353.461	QXBQQUWYGQDLLI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080276
O=C(Nc1ccccc1N1CCCC1)CCc1nn2c(c1)CNCCC2	EMOLS-id_43175369,MCULE-5772302636,PC-id_70782154	353.461	NHIMSHHMVVNVHA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080277
O=C(N(CC1CCN(C1)c1ccccc1)C)c1nn2c(CNCCC2)c1	PC-id_50949597	353.461	LQQSYTKFHGLYTG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080278
O=C(NCC1CN(CC2CCCC2)Cc2ccnn2C1)c1cccnc1	EMOLS-id_50371317	353.461	OCKZYYXEYDHKBA-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080279
O=C(NCc1n2CCCCCc2nn1)C1N(CCC1)Cc1ccccc1	PC-id_60579536	353.461	LISRWNCJXRNJEU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080280
O=C(NCc1nnc2n1CCCCC2)c1cccc([C@@H]2CCCNC2)c1	ZINC22_95361300	353.461	CYMBVSIUZLBDRA-QGZVFWFLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080281
O=C(NCc1nnc2n1CCCCC2)c1cccc([C@H]2CCCNC2)c1	ZINC22_95361301	353.461	CYMBVSIUZLBDRA-KRWDZBQOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080282
O=C(NCc1nnc2n1CCCCC2)NCC1(c2ccccc2)CCC1	ZINC22_45570396,MCULE-2736661498,EMOLS-id_44526092,PC-id_71897851	353.461	RAFJMVSDJIAWPY-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-080283
O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CCCN(c2ccccn2)C1	ZINC22_670471245	353.461	YUJWHEHPPKONOD-HNNXBMFYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-080284
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCCN(c2ccccn2)C1	ZINC22_670471246	353.461	YUJWHEHPPKONOD-OAHLLOKOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-080285
O=C(NCc1n[nH]c2c1CCCCC2)[C@H](c1cccnc1)N1CCCC1	PC-id_95189844,ZINC22_67472873	353.461	ZHTBVUQQFRTMMR-IBGZPJMESA-N	00000010100000101101000000000010000000000000000000000000	31-01-080286
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H](c1cccnc1)N1CCCC1	PC-id_95189845,ZINC22_67472874	353.461	ZHTBVUQQFRTMMR-LJQANCHMSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080287
O=C(NCc1n[nH]c2c1CCCCC2)N1CCCC[C@H]1c1cccnc1	ZINC22_426368342	353.461	RWDPEUOUSLLSIS-IBGZPJMESA-N	00000000100010101101100000000010000000000000000000000000	31-01-080288
O=C(NCc1n[nH]c2c1CCCCC2)N1CCCC[C@@H]1c1cccnc1	ZINC22_426368343	353.461	RWDPEUOUSLLSIS-LJQANCHMSA-N	00000000100010101101100000000010000000000000000000000000	31-01-080289
O=C(NC[C@H]1CN(CC2CCCC2)Cc2ccnn2C1)c1cccnc1	ZINC22_247495890	353.461	OCKZYYXEYDHKBA-KRWDZBQOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080290
O=C(NC[C@@H]1CN(CC2CCCC2)Cc2ccnn2C1)c1cccnc1	ZINC22_247495901	353.461	OCKZYYXEYDHKBA-QGZVFWFLSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080291
s1c2CCCCCc2c(c1NC(=O)c1cc2scnc2cc1)C#N	PC-id_4453866	353.461	AKEWZOMLKOUQDQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080292
N#CC(=Cc1csc(n1)c1ccsc1)c1nnc2n1CCCCC2	MCULE-1644010926,PC-id_72047683,EMOLS-id_32089228	353.464	CHBNASMPURLCFT-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-080293
N#C/C(=Cc1csc(n1)c1ccsc1)/c1nnc2n1CCCCC2	PC-id_97542612	353.464	CHBNASMPURLCFT-MDWZMJQESA-N	00000000100100000101100000000010000000000000000000000000	31-01-080294
s1cc(nc1c1sccc1)/C=C(c1n2CCCCCc2nn1)/C#N	PC-id_60242719	353.464	YRVCGBLGLNFLRR-XFXZXTDPSA-N	00000000100100000101100000000010000000000000000000000000	31-01-080295
s1cc(nc1c1sccc1)C=C(c1n2CCCCCc2nn1)C#N	PC-id_72686307	353.464	YRVCGBLGLNFLRR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-080296
CC1CCc2c(C(=NC3CCCCC3)N=C1Nc1cn(nc1)C)nc[nH]2	PC-id_137047630	353.465	WQGVLDAYNBGYPU-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-080297
s1c(nc(/C=C(c2n3CCCCCc3nn2)/C#N)c1)c1ccsc1	PC-id_47495260	353.465	CHBNASMPURLCFT-JYRVWZFOSA-N	00000000100100000101100000000010000000000000000000000000	31-01-080298
c12C(CCCCn1nnn2)C(=O)NCCCSc1nnc(C)s1	MCULE-6182141328,EMOLS-id_49657956,PC-id_74239437	353.466	ZPEDLXPIPKUBMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080299
Cc1nnc(SCCCNC(=O)[C@@H]2CCCCn3nnnc23)s1	PC-id_97910226,ZINC22_97569032	353.466	ZPEDLXPIPKUBMP-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080300
Cc1nnc(SCCCNC(=O)[C@H]2CCCCn3nnnc23)s1	PC-id_97910227,ZINC22_97569033	353.466	ZPEDLXPIPKUBMP-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-080301
CCOC(=O)CN(CCOC)C(=O)c1cc2c(s1)CCCCCC2	EMOLS-id_36635260,PC-id_52615904,MCULE-3768279034,ZINC22_58999164	353.476	SFTUTAGPJWPZLY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080302
OC(=O)C(NC(=O)c1cc2c(s1)CCCCC2)CCOC(C)(C)C	PC-id_120232252	353.476	SRMZRKZGKMTXCJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080303
COCCOCOC1CCCSc2c1sc(c2)S(=O)(=O)N	SCHEMBL10513453,PC-id_13911641	353.478	XPVFMQZCMLINSI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080304
c1(NC(=O)CCC(=O)NCCCCCO)sc2c(CCCCC2)n1	MCULE-9672018311,EMOLS-id_334890746	353.48	RSONZGWQOGWRFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080305
c1(NC(=O)CCC(=O)NCCCOCC)sc2c(CCCCC2)n1	MCULE-1489559503,EMOLS-id_334902782	353.48	UYUZTWYSNWJPKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080306
c1(NC(=O)CCC(=O)NCCOC(C)C)sc2c(CCCCC2)n1	EMOLS-id_334946275,MCULE-8237040362	353.48	LOVJIUFGZCSLPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080307
CC(CC1COCCN1C(=O)Nc1sc2c(n1)CCCCCC2)O	EMOLS-id_101096231	353.48	MVNIRKPNBQCJPB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080308
CCCN(CC1CC1)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317416798,MCULE-4969724056	353.48	KZKJGOFVLJLBBH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-080309
CCOC1CC(C1)(O)CNC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101066647	353.48	VPYAYNQCLCZBLU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-080310
CC(=O)CCCN1CCc2c(CC1)nc(s2)NC(=O)OC(C)(C)C	SCHEMBL13884476,PC-id_57634902	353.48	VKRIUCOYFVFSOA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080311
CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](C(=O)NCC2CC2)C1	ZINC22_253492700	353.48	QVURXLFSHRMUOH-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-080312
CCS(=O)(=O)CCN1Cc2cccn2C[C@H](C(=O)NCC2CC2)C1	ZINC22_253492701	353.48	QVURXLFSHRMUOH-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-080313
COCC1(CO)CCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101430726	353.48	XMQAMAPLYZCRKZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-080314
COCC1OC(C)CN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101106636	353.48	VSTTXMQILYBBHF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080315
COCC1(O)CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103722	353.48	FUMCWFCMOYBPOZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080316
COCCC1COCCN1C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99761036	353.48	ZLQZTAUWURQPRA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080317
OCC1(CCOCC1)CNC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101106651	353.48	IMHUDDVTPVFREA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080318
OCC1CN(CC(O1)(C)C)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_102008676	353.48	QMKQWYJHZSCVQJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080319
OCC(C1CCOCC1)NC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101069056	353.48	BXUCCSJKABPTRV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080320
OCCN(C(=O)Nc1sc2c(n1)CCCCCC2)C1CCOCC1	EMOLS-id_101101055	353.48	ICBDQSRBXLKDCE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080321
OCCOC1CCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098619	353.48	RSILVVOBUYFNOI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080322
O=C(Nc1sc2c(n1)CCCCCC2)NCC(C1CCOCC1)O	EMOLS-id_101103872	353.48	VKCBIWLRTWPAOD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080323
O=C(Nc1sc2c(n1)CCCCCC2)NCCC1(O)CCOCC1	EMOLS-id_98983360	353.48	JLGLVTAUCOPTHT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080324
s1c2CCCCCCc2nc1NC(=O)[C@H](NC(=O)OC(C)(C)C)C	PC-id_56152885	353.48	OJUOSJIWZUNUQJ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080325
s1c2CCCCCCc2nc1NC(=O)C(NC(=O)OC)CC(C)C	PC-id_56094073	353.48	ZHXLWPDAAVJZGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080326
s1c2CCCCCCc2nc1NC(=O)CN(C(=O)OC(C)(C)C)C	PC-id_56472309	353.48	JRZPDFBBVUAHSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080327
s1c2CCCCCCc2nc1NC(=O)C(NC(=O)OC(C)(C)C)C	PC-id_76304641	353.48	OJUOSJIWZUNUQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080328
S(=O)(=O)(NC1CCCCCC1)c1cn2c(C(=O)N(CCC2)CC)c1	PC-id_53182920,MCULE-2354455020	353.48	SBPKKIPBQOTFSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080329
c1(c2ccccc2n(C(C)C)c1)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-6547596307	353.481	NLSQXRKNFXXZAC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080330
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3ccc(C)s3)C2)n1	PC-id_91792425,MCULE-6486265075,EMOLS-id_55695987	353.481	VBDYQZMDVLZYDP-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-080331
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3sccc3C)C2)n1	EMOLS-id_55698513,PC-id_91793302,MCULE-4772625021	353.481	CYIXYNQNNBLROS-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-080332
c1(NC(=O)CCc2c3ccccc3n(C)c2)sc2c(CCCCC2)n1	MCULE-3636722410,EMOLS-id_323381332	353.481	TXYRNBDYJUULBT-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080333
c1(NC(=O)CCn2ccc3c(cccc23)C)sc2c(CCCCC2)n1	EMOLS-id_323324026,MCULE-3965464614	353.481	BWNOOXJOBJCCJI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080334
c1(NC(=O)CCn2ccc3cc(C)ccc23)sc2c(CCCCC2)n1	EMOLS-id_323350378,MCULE-4615612774	353.481	FUQSLQXPVJKTHE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080335
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc2c(c1)n(C(C)C)cc2	EMOLS-id_323313793,MCULE-2745562759	353.481	OLWHTKDYJATWOZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080336
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc2c(ccn2C(C)C)c1	EMOLS-id_323348351,MCULE-3628320628	353.481	KMZWEBNCNSWHTK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080337
c1(sc2c(CCCCC2)n1)NC(=O)c1cccc2c1ccn2C(C)C	EMOLS-id_323318942,MCULE-6493506556	353.481	FSPGJLZTALIAFD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080338
C=C1CCCCCN=c2/c(=CC1)/c(N)c(s2)C(=O)Nc1ccccc1	PC-id_143185820	353.481	UMPVHYHJBGDPCA-JVHNBCIUSA-N	00000000100000110110000000000010000000000000000000000000	31-01-080339
Cc1cccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	PC-id_25355822,CoCoCo_4223460,ZINC22_12556021	353.481	TUTOJQYLGKWYBB-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080340
Cc1cccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	ZINC22_12556023,PC-id_25355823,CoCoCo_4223459	353.481	TUTOJQYLGKWYBB-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080341
Cc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC22_12555579,CoCoCo_4223861,PC-id_25355611	353.481	UZQYIDGIXFIGQB-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080342
Cc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC22_12555580,CoCoCo_4223862,PC-id_25355612	353.481	UZQYIDGIXFIGQB-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080343
Cc1ccc(s1)CN1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_99991736	353.481	VBDYQZMDVLZYDP-FQEVSTJZSA-N	00000000100100110101000000000010000000000000000000000000	31-01-080344
Cc1ccc(s1)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_99991739	353.481	VBDYQZMDVLZYDP-HXUWFJFHSA-N	00000000100100110101000000000010000000000000000000000000	31-01-080345
Cc1nc2ccccc2n1CCNC(=O)c1cc2c(s1)CCCCC2	MCULE-1606131554,CoCoCo_4091913,EMOLS-id_11797957,PC-id_16353060,ZINC22_8134930	353.481	DUKKKUJPTILSAQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080346
CCc1ccccc1NCC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_16666188,CoCoCo_3846076,ZINC22_12553045,MCULE-6536527388,PC-id_25353660	353.481	FSIXFJYKDPAGFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080347
CC(c1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)C#CC(O)(C)C)C	GD-id_ZINC15009194	353.481	SRQZIWPMFSJOHZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-080348
CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc2c(s1)CCCCCC2	PC-id_36515363,EMOLS-id_25662965,ZINC22_29327941,CoCoCo_4692707,MCULE-7788162712,CoCoCo_4692708	353.481	WWTZEIIDINSHJG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080349
N#Cc1c(NC(=O)C(Nc2ccc(cc2)C)C)sc2c1CCCCC2	EMOLS-id_16691855,MCULE-5339142469,PC-id_45355576	353.481	UZQYIDGIXFIGQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080350
N#Cc1c(NC(=O)C(Nc2cccc(c2)C)C)sc2c1CCCCC2	EMOLS-id_16696373,PC-id_45355536,MCULE-1686736698	353.481	TUTOJQYLGKWYBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080351
O=C(CCCc1c[nH]c2ccccc12)Nc1nc2CCCCCc2s1	CoCoCo_4546042,EMOLS-id_44037998,ZINC22_14806936,PC-id_16605129,MCULE-4946797696	353.481	VFTKBJKPPKOBLB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080352
O[C@H](c1nn2c(c1)CN(CCC2)Cc1sccc1C)c1ccccc1	PC-id_99992808	353.481	CYIXYNQNNBLROS-FQEVSTJZSA-N	00000000100100110101000000000010000000000000000000000000	31-01-080353
O[C@@H](c1nn2c(c1)CN(CCC2)Cc1sccc1C)c1ccccc1	PC-id_99992812	353.481	CYIXYNQNNBLROS-HXUWFJFHSA-N	00000000100100110101000000000010000000000000000000000000	31-01-080354
O=C(N1CCC(=CC1)c1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_112825088	353.481	YLBVLIYXAYWLTC-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-080355
O=C(NCCCn1cnc2ccccc12)c1cc2c(s1)CCCCC2	CoCoCo_4092318,ZINC22_8425100,EMOLS-id_11740809,PC-id_16312535,MCULE-8492296588	353.481	GAVDEDULBYOSEP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080356
s1c2CCCCCc2c(c1NC(=O)CCN(c1ccccc1)C)C#N	PC-id_31477502	353.481	QAAQFOHKSRDASX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080357
s1c2CCCCCCc2cc1C(=O)N(Cc1cccnc1)CCC#N	PC-id_60519794	353.481	HXZGGSVPSQQHJV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-080358
s1c2CCCCCCc2cc1C(=O)NCc1n(c2c(n1)cccc2)C	PC-id_55388954	353.481	OEEJGQOYEIQHFW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080359
s1c2CCCCCCc2cc1C(=O)NCCc1[nH]c2c(n1)cccc2	PC-id_27161550	353.481	PJYQZYDAUNAWMR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080360
c12CN(CCCn1nc(CNC(=O)CCSCC)c2)C(=O)N(C)C	MCULE-8431894186,PC-id_70786116,ZINC22_85533980,EMOLS-id_44451929	353.483	SSJBXHMMQAHQSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080361
c12CN(CCCn1nc(CNC(=O)CSCCC)c2)C(=O)N(C)C	EMOLS-id_46026017,MCULE-7062429793,ZINC22_91503969,PC-id_72839021	353.483	UJCSQULLOGEWPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080362
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)N1CC2CC1CC2	EMOLS-id_99747496	353.483	QGWMMCXRPFYWHG-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-080363
CSCC[C@H](C(=O)N1CCn2c(CC1)nnc2C(C)C)NC(=O)C	CoCoCo_1311887	353.483	HBFZKGHBYLMYMN-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080364
CSCC[C@@H](C(=O)N1CCn2c(CC1)nnc2C(C)C)NC(=O)C	PC-id_42417951,ChEMBL-DNDi_CHEMBL33625832,CoCoCo_1311886	353.483	HBFZKGHBYLMYMN-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080365
O=S1(=O)CCC(C1)N1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_100481265	353.483	GQMMRLSYTMGGCI-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-080366
S(c1n2CCCCCc2nn1)CC(=O)N(CC(=O)NC(C)(C)C)C	PC-id_8379360	353.483	SCTMDJDLUCRZCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080367
S(CCC(NC(=O)C)C(=O)N1CCn2c(nnc2C(C)C)CC1)C	PC-id_74801521	353.483	HBFZKGHBYLMYMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080368
Cc1ccsc1CN1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_253598473	353.484	BVQAEJKQGAFTAR-INIZCTEOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-080369
Cc1ccsc1CN1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_253598475	353.484	BVQAEJKQGAFTAR-MRXNPFEDSA-N	00000000100100101101000000000010000000000000000000000000	31-01-080370
Cc1ccsc1CN1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_50376339	353.484	BVQAEJKQGAFTAR-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-080371
CN(Cc1cc2CNCCCn2n1)Cc1nc(cs1)c1ccccc1	EMOLS-id_43151408,MCULE-9099686766,ZINC22_72156611,PC-id_56907273	353.484	NBIODSUCIDOGOA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080372
N#CC(=Cc1cnc(s1)C1CCCCC1)c1nnc2n1CCCCC2	PC-id_72101761,EMOLS-id_43410193,MCULE-4366760445	353.484	LRGQUIKFRUPZGL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-080373
N#C/C(=Cc1cnc(s1)C1CCCCC1)/c1nnc2n1CCCCC2	PC-id_97380553	353.484	LRGQUIKFRUPZGL-RVDMUPIBSA-N	00000000100010000101100000000010000000000000000000000000	31-01-080374
s1c(ncc1/C=C(c1n2CCCCCc2nn1)/C#N)C1CCCCC1	PC-id_75534420	353.484	LRGQUIKFRUPZGL-PTNGSMBKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-080375
[Si](C)(C)(C)C#Cc1c2-c(c(c1NC(=O)C)C(=O)OCC)ccccc2	PC-id_71551211	353.487	AYTXPMZCEZGNDN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-080376
O=C(c1sc2c(c1)CCCCCC2)NC1(CCSCC1)C(=O)O	PC-id_120208656	353.499	KCPCTXMWGLRUNR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-080377
OC(=O)CC1CSCCN1C(=O)c1sc2c(c1)CCCCCC2	PC-id_119210098	353.499	KBNRXXWVVRAQSX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080378
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+]C(C)(C)C)C(=O)OCC	PC-id_7047186	353.499	BJISNFLTCOIIPH-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-080379
s1c2c(CCCCC2)c(c1NC(=O)CSCC=C)C(=O)OCC	PC-id_4614126	353.499	BBFXRKGRBIBJDC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080380
s1c2c(CCCCCC2)cc1C(=O)N1C[C@H](SCC1)C(=O)OC	PC-id_9272442	353.499	MTCVSRUHNBCFRL-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080381
s1c2c(CCCCCC2)cc1C(=O)N1C[C@@H](SCC1)C(=O)OC	PC-id_9272444	353.499	MTCVSRUHNBCFRL-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080382
s1c2c(CCCCCC2)cc1C(=O)N1CC(SCC1)C(=O)OC	PC-id_84968123	353.499	MTCVSRUHNBCFRL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080383
c1(cc2c(CCCCC2)s1)C(=O)NNC(=S)NCC1CCCO1	TIMTEC38343,PC-id_2957896,EMOLS-id_2029070,MCULE-2486752024	353.503	AHANQEJMXCZOIX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-080384
CC(C)(C)C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_6823402,PC-id_20166099	353.503	SHGMUMGWHPMEMP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080385
CC(C)CC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_6826787,PC-id_20166097	353.503	XSMLJAHYQFSURL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080386
CCCCC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_6851435,PC-id_20166095	353.503	MGDBMNUTECOOEI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080387
CCCC(=O)N1CSCC1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98124228	353.503	ZSURQFZJAFPHCM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-080388
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccc(s1)C(C)(C)C	EMOLS-id_101948691	353.503	WKQRGHHLYLPUCE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080389
CS(=O)(=O)NCCC1CN(Cc2ccsc2)Cc2cccn2C1	EMOLS-id_313837603	353.503	CSXXLRVDHHIGRV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080390
CS(=O)(=O)NCC[C@H]1CN(Cc2ccsc2)Cc2cccn2C1	ZINC22_585095071	353.503	CSXXLRVDHHIGRV-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080391
CS(=O)(=O)NCC[C@@H]1CN(Cc2ccsc2)Cc2cccn2C1	ZINC22_585095072	353.503	CSXXLRVDHHIGRV-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080392
s1c2CCCCCc2cc1C(=O)NNC(=S)NC[C@H]1OCCC1	CoCoCo_1003091,PC-id_7478961	353.503	AHANQEJMXCZOIX-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-080393
s1c2CCCCCc2cc1C(=O)NNC(=S)NC[C@@H]1OCCC1	PC-id_2212107,CoCoCo_1003092	353.503	AHANQEJMXCZOIX-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-080394
Cc1cc(CN2CCCn3c(C2)cc(n3)CN2CCNCC2)cc(c1)C	PC-id_144720933	353.504	RCKLJWBCMUFOGK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080395
CN(Cc1cc2n(n1)CCCNC2)C[C@@H]1CCN(Cc2ccccc2)C1	ZINC22_72168625,PC-id_95728074	353.504	KYTMRMXKWBUWQX-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-080396
CN(Cc1cc2n(n1)CCCNC2)C[C@H]1CCN(Cc2ccccc2)C1	ZINC22_72168626,PC-id_95728075	353.504	KYTMRMXKWBUWQX-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080397
CN(CC1CCN(Cc2ccccc2)C1)Cc1cc2CNCCCn2n1	PC-id_56914331,MCULE-9753959459,EMOLS-id_43172232	353.504	KYTMRMXKWBUWQX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080398
s1c(C[NH2+]C(c2n3CCCCCc3nn2)C)cc(c1)c1ccccc1	PC-id_75833839	353.504	NLRVYYCOPHDGPA-UHFFFAOYSA-O	00000000100100110101100000000010000000000000000000000000	31-01-080399
s1c(C[NH2+][C@H](c2n3CCCCCc3nn2)C)cc(c1)c1ccccc1	PC-id_52365734	353.504	NLRVYYCOPHDGPA-HNNXBMFYSA-O	00000000100100110101100000000010000000000000000000000000	31-01-080400
s1c(C[NH2+][C@@H](c2n3CCCCCc3nn2)C)cc(c1)c1ccccc1	PC-id_52365736	353.504	NLRVYYCOPHDGPA-OAHLLOKOSA-O	00000000100100110101100000000010000000000000000000000000	31-01-080401
Nc1sc2c(c1C(=O)c1ccc(C3CCCCC3)cc1)CCCCC2	CHEMBL338791,PC-id_10882734	353.521	FZLIJXGAHCXJMY-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-080402
C[C@H]1CN(C)c2scc(n2)CCNC(=O)[C@@H](CCC[C@](C1)(C)O)C	SCHEMBL19606830	353.523	HOGQTNYYEYLKNJ-LBTNJELSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080403
CSCCCN1CCc2n(CC1)c(nn2)[C@H](NC(=O)C)CC(C)C	CoCoCo_1177703,CoCoCo_1177704	353.526	CAMBECNVOATIBP-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080404
CSCCCN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)C)CC(C)C	CoCoCo_1177705,CoCoCo_1177706	353.526	CAMBECNVOATIBP-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080405
s1c2CCCCCc2c(c1NC(=O)CSC(=S)N(C)C)C#N	PC-id_4031773	353.526	YJJYVXJYAXRQHJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080406
CCCCCc1cc(c2-c1c(ccc(c2)C(C)C)C)C=[N+](C(C)(C)C)[O-]	SCHEMBL5711499,PC-id_87882200	353.541	IROWJGXWPYXUBM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-080407
s1c2CCCCCCc2cc1C(=O)NNC(=S)NCCC(C)C	PC-id_9149993	353.546	OWTHNZKXDTVEMU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080408
s1c2CCCCCCc2cc1C(=O)NNC(=S)NCCCCC	PC-id_9187669	353.546	QJRYGRXCLPMLNR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080409
Brc1ccc(c(c1)Cl)Cn1cc2c(c1)CCCCC2N	PC-id_116075793	353.685	WKULIFROXVXMJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080410
Cc1c(ccc(c1)Cl)Cc1ccc2-c(c(c(=O)[nH]2)C=CC(=O)O)cc1	SCHEMBL5791760,PC-id_87891760	353.799	SSAJMUNMUYWLHE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-080411
Cc1c(ccc(c1)Cl)Cn1c2-c(ccccc2)c(c1=O)C=CC(=O)O	PC-id_87834674	353.799	KAPHBHHDBHVYPY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-080412
Cc1c(ccc(c1)Cl)Cn1c2-c(ccccc2)c(c1=O)C(=C)C(=O)O	SCHEMBL5430694,PC-id_87834676	353.799	NAVLHMIGJGDZMF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-080413
OC(=O)/C=C/c1c2-c(n(c1=O)Cc1ccc(cc1C)Cl)ccccc2	SCHEMBL5430688	353.799	KAPHBHHDBHVYPY-MDZDMXLPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-080414
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(Cl)s1	ZINC22_91460592,EMOLS-id_46042061,MCULE-1481735365,PC-id_72861241	353.824	YAUZVYQJBXLYRF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080415
c1(cn2c(C(=O)NCCC2)c1)S(=O)(=O)NCc1ccccc1Cl	MCULE-2634459321,PC-id_53182806,EMOLS-id_33086338	353.824	FAEKVOUEUFTERA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080416
Cc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c(Cl)c1	EMOLS-id_33086148,PC-id_53182758,MCULE-5690916145	353.824	WCHSBZXTJRNANK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080417
Cc1cc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)ccc1Cl	PC-id_53182823,EMOLS-id_33086404,MCULE-3251553249	353.824	SSCARHOLRLGUAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080418
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(Cl)cc1	MCULE-3153967216,EMOLS-id_33086754,PC-id_53182863	353.824	AWEULJFVQTYMCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080419
CN(c1cccc(Cl)c1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	PC-id_53182849,MCULE-9480808892,EMOLS-id_33086598	353.824	YFJROMRQRPKDAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080420
c1(CN2CCCn3c(cc(n3)C(CO)O)C2)c(CC)nn(C)c1Cl	MCULE-2543333511,EMOLS-id_55641234,PC-id_91773602	353.847	DFKUHDWRMPOHAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080421
OC[C@@H](c1nn2c(c1)CN(CCC2)Cc1c(CC)nn(c1Cl)C)O	PC-id_99974106	353.847	DFKUHDWRMPOHAY-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080422
OC[C@H](c1nn2c(c1)CN(CCC2)Cc1c(CC)nn(c1Cl)C)O	PC-id_99974107	353.847	DFKUHDWRMPOHAY-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080423
Clc1onc(c1CCC(=O)Nc1sc2CCCCCCc2n1)C	PC-id_56175557	353.867	KVYMQKSYYVDFNL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080424
Clc1nc(sc1CN1CCCc2c(C1)c[nH]n2)N1CCOCC1	EMOLS-id_278259440	353.87	CIGAKWLXPUGEQL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-080425
O=C(Nc1sc2c(n1)CCCCCC2)NCc1nn(cc1Cl)C	EMOLS-id_101432079	353.87	UBMOADKNQYNULN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080426
C1CS[I-]Nc2nnc(n12)C[C@@H](C[AlH2])N	PC-id_163625137	353.984	VDCUNZMSUHRYPA-QVJBSGFVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080427
C1CC=Cc2c(c(c(n2C1)C(=O)Nc1cc(c(cc1)F)F)Cl)S	PC-id_163619193	354.041	HMQJZVOIOXTABS-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-080428
CC(=C)C(=O)OC(=O)CC(=O)OCC1(COC2=CSC=C2OC1)C	PC-id_153120058	354.077	VUQXXDJLQOMVCY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080429
C1CC2=NN=NN2CCC1NC(=O)N3CCC4CS(=O)(=O)CC4C3	PC-id_154794505	354.147	FYQBRSLZAHIOHM-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-080430
O=C(NCc1nnc2n1CCCCC2)c1ccc(-c2ccc(F)cc2)o1	EMOLS-id_30238391,MCULE-2394752400,ZINC22_40012918,ChEMBL-DNDi_CHEMBLMMV688796,PD061906,PC-id_45859661	354.15	GVQWKADEEQMGQO-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-080431
CC1=C(C=CC(=C1)CN(C)CC2=NN=C3N2CCOCC3)C(F)(F)F	ZINC22_1615553984,MCULE-1128280282,PC-id_164633919,EMOLS-id_320323787	354.167	VKPISXXIDJVGHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080432
C1CCC2=C(CC1)SC(=C2)C(=O)NC3CC(C3)(CN)C4=CC=CC=C4	PC-id_154578214	354.177	ZPWRCPYYYKJCRQ-UHFFFAOYSA-N	00001000100000110100100000000010000000000000000000000000	31-01-080433
Brc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102168235	354.178	FHKLWVKSYQHCBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080434
Brc1ccc(c(c1)F)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168139	354.178	FTMZVTPOJIRIPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080435
Fc1cc(Br)cc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164539	354.178	NUKQLCDRBOEPNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080436
Fc1ccc(c(c1)Br)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168199	354.178	CBAOBVFRLRYEMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080437
Fc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)Br	EMOLS-id_102168193	354.178	FCRYLMXINBPNPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080438
O=C(c1ccc(c(c1)Br)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102158299	354.178	GYZABYSKOQGQRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080439
O=C(c1cccc(c1Br)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102176468	354.178	XFWUQARVVBETKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080440
O=C(c1ccc(c(c1)F)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102162679	354.178	VJSLFAODPPIBPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080441
O=C(C1CCn2c(CC1)nnn2)Nc1cccc(c1F)Br	EMOLS-id_278975940	354.178	WGLIZVWVXRODCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080442
O=C(c1c(F)cccc1Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102182541	354.178	LTFZRUNNHRBCFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080443
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)I	PC-id_102391034	354.183	FIJIVFNPNHZKOZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-080444
Ic1c2-c(c(OC(=O)C(C)(C)C)cc2)cccc1	PC-id_11473669	354.183	HXKOQTOTYAJGND-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-080445
O=C1CCCCc2c1cn(c2)Cc1c(F)ccc(c1F)Br	PC-id_106264972	354.189	YIAKQLGLZUBTBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080446
CN(C)C=C1CCCC2=C(C1=O)N(C=C2)CC3=C(C=CC(=C3)OC)OC	PC-id_154499328	354.194	MZESIUBYRSQOSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080447
CN(C)C=C1CCCC2=C(C1=O)N(C=C2)CC3=CC(=CC(=C3)OC)OC	PC-id_154499329	354.194	ULYRHMDGNTUMDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080448
CCc1n[nH]c(c1Br)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102177944	354.206	QTUVMYFIZMBXMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080449
[B]1CC2=NC(=NN2CCN1)CC3=CC(=CC=C3)CNC(=O)OC(C)(C)C	PC-id_165126814	354.21	SBPHQSMSOHKMED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080450
Cc1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)Cl	PC-id_86345475,SCHEMBL16099886	354.231	WGYKBYWSFFOKQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080451
CC(=O)c1cc(Cl)c(Cl)cc1OCc1nnc2n1CCCCC2	MCULE-4765542162,ZINC22_514905999,EMOLS-id_276227436	354.231	GYBSCJZSMZATCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080452
c12C(CCCCn1nnn2)C(=O)NCCc1ccc(cc1Cl)Cl	EMOLS-id_49651412,PC-id_74236221,MCULE-5850907618	354.234	AMPQQFIMSORJCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080453
Clc1nc(Cl)cc(c1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_86922404	354.234	ZHRDDNITANLDSD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080455
O=C(NCCc1ccc(Cl)cc1Cl)[C@@H]1CCCCn2nnnc12	PC-id_97897993,ZINC22_97492543	354.234	AMPQQFIMSORJCW-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080456
O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1CCCCn2nnnc12	PC-id_97897994,ZINC22_97492544	354.234	AMPQQFIMSORJCW-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080457
Brc1cc(C[NH2+]Cc2n3CCCCCc3nn2)c(F)cc1	PC-id_51923163	354.241	CUZWRTDRWXUHKP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-080458
O=S(=O)(CC1(C)CC1(Cl)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_319103659	354.256	MGCGDOVUGMKLBS-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-080459
Brc1cc(Sc2n3CCCCCc3nn2)c(cc1)CO	PC-id_63813535	354.265	KRLADGLYJVQMHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080460
Brc1cn(c(c1)C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112807881	354.265	YIFZJDQFJMWYMR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-080461
OCc1cc(Br)ccc1Sc1nnc2n1CCCCC2	PC-id_108275940	354.265	KAOKXRZVMQUVMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080462
OCc1ccc(cc1Br)Sc1nnc2n1CCCCC2	PC-id_108267470	354.265	MXUUXOQSVZAZJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080463
OCc1ccc(c(c1)Br)Sc1nnc2n1CCCCC2	PC-id_108285044	354.265	KCYHYPHAKXELGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080464
Cc1c(N)cnc(c1Br)Sc1nnc2n1CCCCC2	PC-id_104507615	354.269	SATPXRZHHFKJHR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080465
CCc1nc(cc(n1)Br)Sc1nnc2n1CCCCC2	PC-id_116482900	354.269	FULDLIIXNKMLIW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080466
Brc1ccc(c(c1)C(c1cc2c(s1)CCCCC2)N)F	PC-id_105011967	354.28	MATAAEQSVJZZTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080467
Brc1cccc(c1F)C(c1cc2c(s1)CCCCC2)N	PC-id_106647543	354.28	YPEPYLLVBUWZNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080468
Brc1cc(C(N)c2sc3c(CCCCC3)c2)ccc1F	PC-id_79746752	354.28	AYGMTWOOCNMKAK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080469
Clc1c(CNC(=O)c2sc3CCCCCc3c2)ccc(Cl)c1	PC-id_7928191	354.294	QRZGJMVWVYTAEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080470
Brc1oc(C(NCC)c2sc3c(CCCCC3)c2)cc1	PC-id_80217099	354.305	WBHKRBWLLKGFGO-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-080471
CCNC(c1occc1Br)c1cc2c(s1)CCCCC2	PC-id_115861225	354.305	RVNYNPUANSYFDR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-080472
FC(F)(F)c1nc([O-])c(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_40138841	354.307	IDFVLLVRKGIBIR-UHFFFAOYSA-M	00000000100000101101000000000010000000000000000000000000	31-01-080473
CCn1ncc(c1C(c1cc2c(s1)CCCCC2)N)Br	PC-id_105040386	354.308	ZCNKGWLDVAGAOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080474
CNC(c1c(Br)cnn1C)c1cc2c(s1)CCCCC2	PC-id_105054248	354.308	WRMRIALXPCJVSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080475
FC(F)Oc1ccc(CN2CCn3c(OCC2)nc([N+](=O)[O-])c3)cc1	PC-id_71569484,SCHEMBL14966015	354.309	AKLSXOYZCQZZAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080476
FC(F)Oc1cc(CN2CCn3c(OCC2)nc([N+](=O)[O-])c3)ccc1	PC-id_71569483,SCHEMBL14966118	354.309	SIKLIERPRAJGCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080477
O=C1CCCCCCCCC(=O)OOC(=O)c2oc(C(=O)OO1)cc2	PC-id_140274352	354.309	ZCCHOIYXSGRHJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080478
FC(F)(F)c1c(OC2CCN(Cc3occc23)C)ccc(c1)C(=O)N	PC-id_68411136	354.324	IUIMSTKCRIAKCG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080479
FC(c1ccc(NC(=O)Cn2c(=O)n3c(CCCCC3)n2)cc1)(F)F	MCULE-7004926603,PC-id_17527096,SPECS-id_AT-687/NB01999,EMOLS-id_16755458,CoCoCo_4406389,ZINC22_12775260	354.327	LVMFBWVGSSFRLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080480
FC(COc1cc(F)ccc1NC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_278163272	354.327	JEXUIQPPEJPZTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080481
FC(F)(F)c1ccccc1NC(=O)Cn1nc2CCCCCn2c1=O	EMOLS-id_48463977,MCULE-1955314180,PC-id_91916539	354.327	ACRYYOXQJDNFPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080482
FC(F)(F)Oc1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266238	354.327	VLVVTGWBJLTWFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080483
FC(Oc1cccc(c1CNC(=O)C1CCn2c(CC1)nnc2)F)F	EMOLS-id_316633944	354.327	LUOILSSWBAYXSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080484
O=C(c1cc(c[nH]c1=O)C(F)(F)F)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316654801	354.327	OKKIHPDNEYZNOO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080485
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1C(C(F)(F)F)O	EMOLS-id_316594968	354.327	XLVHEMNQALRURG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080486
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1OCC(F)(F)F	EMOLS-id_319316250	354.327	WCYAYCLHEOMKNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080487
O=C(C1CCn2c(CC1)nnc2)NOCc1ccc(cc1)C(F)(F)F	EMOLS-id_319688993,MCULE-7833132008,PC-id_146108862	354.327	DLAXUPSMQOEBAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080488
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cccc(C(F)(F)F)c1	EMOLS-id_18843840,MCULE-8493797472,PC-id_25673270,ZINC22_13016404,CoCoCo_4406358	354.327	VXHULWIOUSFUPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080489
O=C(NOCc1ccc(C(F)(F)F)cc1)[C@@H]1CCc2nncn2CC1	ZINC22_879249074	354.327	DLAXUPSMQOEBAY-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080490
O=C(NOCc1ccc(C(F)(F)F)cc1)[C@H]1CCc2nncn2CC1	ZINC22_879249075	354.327	DLAXUPSMQOEBAY-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080491
c12CN(CCCn1nc(CNc1nccc(n1)C(F)(F)F)c2)C(=O)C	ZINC22_85532972,PC-id_70766091,MCULE-6576431270,EMOLS-id_44444903	354.33	QDIGQRVAPQNTTE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080492
c1(C(F)(F)F)nnc2CN(CCn12)C(=O)c1c2CCCCCc2n[nH]1	PC-id_75489307,STOCK7S-46093,MCULE-9574611574,EMOLS-id_50403760,EMOLS-id_49246681,ZINC22_96230704	354.33	YSTXPBXQSASGSG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-080493
O(C(=O)c1c(c(c2-c1ccccc2)C(=O)OCC)C(C(=O)N)C#N)CC	PC-id_11221957	354.357	FQCXMVZCQLGRJH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-080494
[Na+].c12c(n(cn1)CCSc1c(C(=O)[O-])cccc1)NC=NCC2O	CHEMBL39391	354.359	FRULKOIZUPUMGZ-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-080495
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1ccco1)[N+](=O)[O-]	SCHEMBL14965488,PC-id_89579957	354.36	LCARRARNUNLYJB-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-080496
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1cocc1)[N+](=O)[O-]	PC-id_89580434,SCHEMBL14966142	354.36	PENSSWTWXMTINY-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-080497
c1(onc(O)c1)C(=O)N1CCCn2c(cc(n2)C(O)c2ccccc2)C1	PC-id_91764721,EMOLS-id_55615975,MCULE-7951554585	354.36	GALSQHFNYJFZJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080498
o1c(C(=O)N2CCCn3nc(cc3C2)C(=O)NO)c(c2c1cccc2)C	SCHEMBL12210645,PC-id_58465633	354.36	QHARTOVGBHONGV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080499
O=C(c1o[nH]c(=O)c1)N1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_99972134	354.36	GALSQHFNYJFZJA-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080500
O=C(c1o[nH]c(=O)c1)N1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_99972135	354.36	GALSQHFNYJFZJA-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080501
O=C(N1CCCn2nc(cc2C1)C(=O)O)CC1NC(=O)c2c1cccc2	PC-id_50954654	354.36	GUHVONGUFUQGTQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080502
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc2c(c1)nn[nH]2	EMOLS-id_43121627,MCULE-5664257621,PC-id_70741768,ZINC22_72429064	354.363	XTZSCVQBCQGSNM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080503
c1(cn2c(nccc2)n1)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	PC-id_72910544,MCULE-5422959992,EMOLS-id_46077829,ZINC22_91818602	354.363	SIPLECABCLQZLM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080504
c1(cnn2cc(C)cnc12)C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	MCULE-9819905892,ZINC22_65526893,PC-id_50982889,EMOLS-id_32433792	354.363	CMUKDPWWDDBYBJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080505
c1(C(=O)N)cn2c(CCN(CC2)C(=O)c2cc(C)nc3onc(C)c23)n1	ZINC22_1875247519,EMOLS-id_331088430,MCULE-8187459339	354.363	NPEBSEOBEVWWQI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080506
Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2COc2cnccn2)on1	ZINC22_585097410	354.363	LKIQZJIFVCRBSU-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080507
Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2COc2cnccn2)on1	ZINC22_585097411	354.363	LKIQZJIFVCRBSU-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080508
Cc1cc(on1)C(=O)N1Cc2ccnn2CCC1COc1cnccn1	EMOLS-id_313821473	354.363	LKIQZJIFVCRBSU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080509
COC(=O)c1cc2CN(CCCn2n1)C(=O)Cn1nc2ccccc2n1	EMOLS-id_32435100,PC-id_50983595,MCULE-2270595786,ZINC22_65528352	354.363	FPMVRSRCNFYZMZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080510
COC(=O)C(C(F)(F)F)(c1cc(c2-c1c(C)ccc(c2)C(C)C)C)O	PC-id_102166724	354.363	JKQXDDKGUCRZAL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-080511
COC(=O)C(C(F)(F)F)(Cc1ccc(cc2-c1ccc2C)C(C)C)O	PC-id_101798382	354.363	GNDGLRGIEWKTRF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-080512
CC(=O)c1cc(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)n[nH]1	EMOLS-id_313726938,ZINC22_2055713700	354.367	ZYYYQYCYKCXNIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080513
COc1cnc(C(=O)N2CCc3nnc(Cn4cccn4)n3CC2)nc1	EMOLS-id_313727194,ZINC22_2055713561	354.367	GESIRWQGYARHNR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080514
COc1cnc(C(=O)N2CCCn3c(nnc3Cn3ccnc3)C2)nc1	ZINC22_1565555123,EMOLS-id_313732820	354.367	SRWQDRLNCBMUHF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080515
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1n[nH]c(n1)c1ccccn1	PC-id_87018853	354.367	QQLFCNAEMVHFLP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080516
Cc1ccc(n2cnnn2)cc1NC(=O)N[C@@H]1CCc2nnnn2CC1	ZINC22_421077296	354.37	CHKARNPCSPEISQ-LLVKDONJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080517
Cc1ccc(n2cnnn2)cc1NC(=O)N[C@H]1CCc2nnnn2CC1	ZINC22_421077297	354.37	CHKARNPCSPEISQ-NSHDSACASA-N	00000000100000110101100000000010000000000000000000000000	31-01-080518
Cc1nnnn1c1cccc(NC(=O)N[C@@H]2CCc3nnnn3CC2)c1	ZINC22_421095823	354.37	XMPPUDHTDGOAAJ-LLVKDONJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080519
Cc1nnnn1c1cccc(NC(=O)N[C@H]2CCc3nnnn3CC2)c1	ZINC22_421096302	354.37	XMPPUDHTDGOAAJ-NSHDSACASA-N	00000000100000110101100000000010000000000000000000000000	31-01-080520
CC(C)c1nnc2CCN(Cc3ccc(OC(F)(F)F)cc3)CCn12	MCULE-2824231347,EMOLS-id_20441341,CoCoCo_1188522,ZINC22_12206169,CoCoCo_1188521,PC-id_42463250	354.37	MTLAQKLHABLMJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080521
COc1ccc(cc1)C(C(F)(F)F)NCc1nnc2n1CCCCC2	EMOLS-id_318017491	354.37	SJKWGSMSJPDXCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080522
FC(F)(F)Oc1ccc(CNCCc2n3CCCCCc3nn2)cc1	PC-id_52598320	354.37	NGJJGFPRUBPVTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080523
FC(Oc1cc(F)ccc1C(NCc1nnc2n1CCCCC2)C)F	EMOLS-id_318264901	354.37	KZGSTPPCAQNENZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080524
O=C(Nc1cc(ccc1C)n1cnnn1)NC1CCn2c(CC1)nnn2	EMOLS-id_320399966,PC-id_145897860,MCULE-6225560737	354.37	CHKARNPCSPEISQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080525
O=C(Nc1cccc(c1)n1nnnc1C)NC1CCn2c(CC1)nnn2	PC-id_145897859,MCULE-5607590941,EMOLS-id_320399710	354.37	XMPPUDHTDGOAAJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080526
c12CN(CCC)CCCn1nc(CNc1nccc(n1)C(F)(F)F)c2	ZINC22_82098648,EMOLS-id_44430297,PC-id_70724090,MCULE-6802312332	354.373	MQIYSEKIPFFXAY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080527
c1(NC(=O)c2ccn(C(F)F)n2)sc2c(CCCCC2)c1C(=O)N	TIMTEC596096,CoCoCo_6579547,MCULE-8858815257,PC-id_4770408,EMOLS-id_4032268,ZINC22_2779140	354.375	ZKQZUBDLVRFYNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080528
c1(C(=O)Nc2cnn(Cc3ccc(cc3)F)c2)c2CCCCCc2on1	EMOLS-id_21980667,MCULE-5999242628,ZINC22_20457975,PC-id_17254369,TIMTEC445212	354.378	SEKJXJJWNNSLSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080529
Cc1cnn(c1)c1ccc(cc1F)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101052856	354.378	FRVUWFOMSGEAMF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080530
Fc1cc(ccc1Cn1nc2c(c1)C(=O)NCC(C2)(C)C)c1ncco1	EMOLS-id_318208809	354.378	KZRZQRHMCQQTOK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080531
Fc1cccc(c1)n1nc(cc1C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101033950	354.378	BFJRYYCSQLTPLW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080532
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(cc1F)c1ccco1	EMOLS-id_319810306	354.378	IESNBSJHSIYVOQ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-080533
O=C(c1noc2c1CCCCC2)Nc1cnn(c1C)c1ccccc1F	EMOLS-id_100170035	354.378	IRAWOSLIFGDKHI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080534
O=C(NCc1nnc2n1CCCCC2)c1ccc(c2ccccc2F)o1	MCULE-2968188061,PC-id_47014560,ZINC22_48344253,EMOLS-id_30732367	354.378	YRTDBTUOQHELNS-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-080535
c1(C(=O)Nc2n[nH]c(Cc3ccc(cc3)F)n2)c2CCCCCc2n[nH]1	PC-id_75490708,STOCK7S-47728,EMOLS-id_49249846,MCULE-8093200654,EMOLS-id_50401307,ZINC22_96232547	354.381	OTMXWAMFYYMCFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080536
c1(C(=O)NCc2c[nH]nc2c2ccc(cc2)F)cc2n(CCCNC2)n1	PC-id_50979798,MCULE-6409743816,ZINC22_67921526,EMOLS-id_32427972	354.381	XYRVVWBNPWDSPI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080537
c1(C(=O)NCc2nnc3CCCCCn23)[nH]nc(c2ccccc2F)c1	PC-id_70751319,ZINC22_91679938,EMOLS-id_44726392,MCULE-2556251148	354.381	NRNSNXJPULFYFM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080538
Cc1ccc(cc1F)C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1	ZINC22_96084714,EMOLS-id_46182451,PC-id_97405537	354.381	IHISCHQLVHNGBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080539
Cc1cccc(F)c1C(=O)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_1565542593	354.381	CTADHSVTROBVEM-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080540
Cc1cccc(F)c1C(=O)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_1614938718	354.381	CTADHSVTROBVEM-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080541
Cc1cccc(F)c1C(=O)N1CCc2nnc(Cn3cccn3)n2CC1	ZINC22_2055713558,EMOLS-id_313726682	354.381	FUEJVTGZELLCJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080542
Cc1cccc(F)c1C(=O)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_313721820	354.381	CTADHSVTROBVEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080543
Fc1ccc(c2[nH]ncc2C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24646609	354.381	LJYCHGBDQLPUFP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080544
Fc1cccc(c1)n1nc(cc1C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319371639	354.381	AFTQFAUCQJWWFK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080545
Fc1ccc(cc1)n1nnc(c1C)NC(=O)c1cnc2n1CCCCC2	MCULE-8869635262,EMOLS-id_316421670	354.381	DMPGTWDCGLKROZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080546
O=C(NCc1nnc2n1CCCCC2)c1cncn1c1ccc(F)cc1	MCULE-5172166427,PC-id_47014561,ZINC22_48279752,EMOLS-id_30677600	354.381	JQBWZUGFBKHIKX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080547
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1noc(c1)c1ccccc1	PC-id_90625443	354.383	ZMEDIQTVVKZNKL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080548
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)C(=O)c1c[nH]c2ccccc12	PC-id_90625415	354.383	IFAOXSJHRGQMQU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080549
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1nn(nc1)c1ccccc1	PC-id_90625257	354.386	SUKLAMAIUAGJOS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080550
s1c2CCCCCc2cc1C(=O)NNc1cc(ccc1)C(F)(F)F	PC-id_55343449	354.39	ICQQXSMJYRRNAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080551
FC1(F)CC(C1)C(=O)N1CCc2ncc(CN3CCOCC3)n2CC1	EMOLS-id_313781706,ZINC22_585110615	354.395	IYYAOSHUTWNNJY-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-080552
OC1CC(C1)C(=O)N1Cc2ccnn2CCC1CN1CCC(F)(F)C1	EMOLS-id_313818150	354.395	GTDJAVYTBOSVCD-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-080553
O=C(C1CC(O)C1)N1Cc2ccnn2CC[C@@H]1CN1CCC(F)(F)C1	ZINC22_585097035	354.395	GTDJAVYTBOSVCD-JVWICGRDSA-N	00001010100000000101000000000010000000000000000000000000	31-01-080554
O=C(C1CC(O)C1)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1	ZINC22_585097036	354.395	GTDJAVYTBOSVCD-OWYJLGKBSA-N	00001010100000000101000000000010000000000000000000000000	31-01-080555
O(CC(=O)c1c2-c(cc1)ccccc2)CC(=O)c1c2-c(cc1)ccccc2	PC-id_72712316	354.398	LNWDXHUOLOZDGC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-080556
s1c2c(CCCCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)OCC	PC-id_27519297	354.398	ZHZCDTMMJQATKF-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-080557
Cc1ccc(S(=O)(=O)NC[C@H]2COCc3c(C)nnn3C2)cc1F	PC-id_97469440,ZINC22_96199369	354.4	CZWWHJTZEYABDJ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080558
Cc1ccc(S(=O)(=O)NC[C@@H]2COCc3c(C)nnn3C2)cc1F	PC-id_97469441,ZINC22_96199370	354.4	CZWWHJTZEYABDJ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080559
Cc1nnc2n1CCC(CC2)NS(=O)(=O)c1c(ccc(c1)F)OC	MCULE-4427026467,PC-id_91922580,EMOLS-id_50590227	354.4	KFFKGZCUGKKPCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080560
Cc1nnn2CC(CNS(=O)(=O)c3ccc(C)c(F)c3)COCc12	PC-id_118741075,EMOLS-id_44332625	354.4	CZWWHJTZEYABDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080561
C=CC(=O)Nc1ccc(O)c(C(=O)N2Cc3ccoc3CC(C)(C)C2)c1	ZINC22_2325887886	354.4	ZLMWWTRIXWECQD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080562
CN(C)S(=O)(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_247960953	354.4	QMYZXVZWEWTKPQ-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080563
CN(C)S(=O)(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_247960955	354.4	QMYZXVZWEWTKPQ-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080564
CN(C)S(=O)(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_50372865	354.4	QMYZXVZWEWTKPQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080565
COc1ccc(cc1)CNC(=O)C=CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_278814196	354.4	FCQSIHMOONWSNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080566
COCc1nnc2CC(C)N(CCn12)S(=O)(=O)c1ccccc1F	EMOLS-id_313826345	354.4	QDOCSNAPNYEVRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080567
COCc1nnc2CC(C)N(CCn12)S(=O)(=O)c1cccc(F)c1	EMOLS-id_313826089	354.4	YXKSZYQUMIOAMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080568
COCc1nnc2CC(C)N(CCn12)S(=O)(=O)c1ccc(F)cc1	EMOLS-id_313824554	354.4	CNTDIPHESHUYEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080569
COCc1nnc2n1CCN(S(=O)(=O)c1ccccc1F)[C@H](C)C2	ZINC22_585097991	354.4	QDOCSNAPNYEVRY-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080570
COCc1nnc2n1CCN(S(=O)(=O)c1ccccc1F)[C@@H](C)C2	ZINC22_585097993	354.4	QDOCSNAPNYEVRY-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-080571
COCc1nnc2n1CCN(S(=O)(=O)c1cccc(F)c1)[C@H](C)C2	ZINC22_585098749	354.4	YXKSZYQUMIOAMD-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080572
COCc1nnc2n1CCN(S(=O)(=O)c1cccc(F)c1)[C@@H](C)C2	ZINC22_585098750	354.4	YXKSZYQUMIOAMD-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-080573
COCc1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1)[C@H](C)C2	ZINC22_585096917	354.4	CNTDIPHESHUYEL-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080574
COCc1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1)[C@@H](C)C2	ZINC22_585096920	354.4	CNTDIPHESHUYEL-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-080575
CS(=O)(=O)N(Cc1ccccc1F)Cc1nnc2n1CCOCC2	EMOLS-id_316762036,ZINC22_1615548443,MCULE-4072443496	354.4	DTDNFWXXGSIENS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080576
O(CC(=O)NC1CCCCC1)C(=O)c1c2-c(c(c1)C(=O)N)ccccc2	SCHEMBL1670672,PC-id_67116008	354.4	AZNVGSXKGXXBNP-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-080577
O=C(N1CCCc2c(C1)cco2)Nc1ccc2c(c1)OC1(O2)CCCC1	EMOLS-id_99356272	354.4	SPABMPMKOFOQJH-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-080578
OC(=O)C1CN(CC1c1ccccc1)C(=O)c1noc2c1CCCCC2	PC-id_121893483	354.4	AKVOOSWDRZOFCT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080579
OC(=O)[C@@H]1CN(C[C@@H]1c1ccccc1)C(=O)c1noc2c1CCCCC2	MCULE-9839246396,EMOLS-id_72661241,PC-id_121976172	354.4	AKVOOSWDRZOFCT-HZPDHXFCSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080580
S(=O)([O-])N(CCc1c2-c(c(c1)C(=O)O)ccccc2)c1ccccc1	PC-id_67921587	354.4	RZDOWJZHTJKULH-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-080581
c12CN(CCCn1nc(CO)c2)C(=O)c1ccc(cc1)N1CCCC1=O	PC-id_91785307,EMOLS-id_55675199,MCULE-4581792602	354.403	OOEMJUIWIKAXSO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080582
c12CN(CCCn1nc(CO)c2)C(=O)CCN1Cc2c(cccc2)C1=O	MCULE-9372808947,EMOLS-id_55652502,PC-id_91777478	354.403	VZZWOSPURLJQQJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080583
c1(cc2c(ccc(OC)c2)[nH]1)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	MCULE-7462003632,EMOLS-id_50536845,PC-id_90650348	354.403	XUVPDFRUZDJORV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080584
C1CC(C1)C(c1nn2CCCN(Cc2c1)C(=O)C(=O)c1cnccc1)O	PC-id_91769642	354.403	CHNZHRNYWJWSMK-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-080585
C1CN(CCC1c1ccccc1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135106576	354.403	SCTAZQVINNWMOK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080586
c1(CN(C)C(=O)Nc2ccc3c(c2)C(=O)OC3)c2CCCCCc2[nH]n1	PC-id_72927203,MCULE-7524395822,EMOLS-id_49174146,ZINC22_96165372	354.403	FWWLWDHECASNBX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080587
c1cn(c(=O)c(c2-c1nc(n2)NC)C(c1cc(c(c(c1)C)OC)C)O)C	CHEMBL1277780,PC-id_49836958	354.403	LZOYXAXLODWQSL-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-080588
c1(C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc2n(CCCN(C(=O)C)C2)n1	PC-id_50982716,MCULE-3035698381,ZINC22_65526541,EMOLS-id_32433474	354.403	JTECQCKRCBNVRF-MSOLQXFVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080589
c1(nnc2CCCCCn12)C(=Cc1cc(OC)c(c(OC)c1)OC)C#N	EMOLS-id_300269379,PC-id_4128015,MCULE-5541057460	354.403	SIXIUVQONTZBPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080590
C=C1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)CCC(=O)O	PC-id_143188692	354.403	HERNTMCAXNWXAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080591
Cc1nc2c(c(C)c1CC(=O)N1CCCc3occc3C1)c(=O)[nH]n2C	MCULE-6276184742,EMOLS-id_177256258,ZINC22_290528424	354.403	GNTVULOVDDYJGN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080592
CC(C)C1N(CCCn2ccnc12)C(=O)Cn1c2ccccc2oc1=O	MCULE-1921545465,EMOLS-id_55717426	354.403	LOAIEMVQDMCIGE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080593
CCC(c1nnc2n1CCCCC2)NC(=O)c1coc2c1ccc(c2)O	EMOLS-id_279108404	354.403	GKIQLXPXHYQPSR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080594
CCOCc1nnc2CC(C)N(CCn12)C(=O)c1cc2ccccc2o1	EMOLS-id_313824550	354.403	LJHIYGKPLBSZDF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080595
CCOCc1nnc2n1CCN(C(=O)c1cc3ccccc3o1)[C@H](C)C2	ZINC22_585097540	354.403	LJHIYGKPLBSZDF-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080596
CCOCc1nnc2n1CCN(C(=O)c1cc3ccccc3o1)[C@@H](C)C2	ZINC22_585097541	354.403	LJHIYGKPLBSZDF-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080597
COc1ccc2c(CC(=O)NCc3nnc4n3CCCCC4)coc2c1	EMOLS-id_30687708,ZINC22_48291086,MCULE-3286577551,PC-id_47014553	354.403	LFTCTIJGVHNSFA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080598
COc1ccc2[nH]c(C(=O)N3CCCn4nc([C@H](C)O)cc4C3)cc2c1	PC-id_100056443,ZINC22_220317428	354.403	XUVPDFRUZDJORV-LBPRGKRZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080599
COc1ccc2[nH]c(C(=O)N3CCCn4nc([C@@H](C)O)cc4C3)cc2c1	ZINC22_220317358,PC-id_100056441	354.403	XUVPDFRUZDJORV-GFCCVEGCSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080600
COc1cc(/C=C(C#N)/c2nnc3CCCCCn23)cc(OC)c1OC	PC-id_6016774,CoCoCo_1737669,MS2_L143677,SPECS-id_AT-225/NB76684,Chemmine_54395,EMOLS-id_26092809	354.403	SIXIUVQONTZBPY-NTEUORMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080601
COc1cc(OC)c(cc1/C=C(/c1nnc2n1CCCCC2)C#N)OC	CoCoCo_3456375,PC-id_17420008	354.403	YGFOXAIEEIIDPT-NTEUORMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080602
COc1cc(OC)c(cc1C=C(c1nnc2n1CCCCC2)C#N)OC	PC-id_72084735,MCULE-3266161049,EMOLS-id_26092893	354.403	YGFOXAIEEIIDPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080603
COc1cc(OC)c(cc1/C=C(c1nnc2n1CCCCC2)/C#N)OC	PC-id_73673983,CoCoCo_3456376	354.403	YGFOXAIEEIIDPT-ZROIWOOFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080604
COCc1nnc2CC(C)N(CCn12)C(=O)c1oc2ccccc2c1C	EMOLS-id_313826087	354.403	SJUZFSGZYRTNIJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080605
COCc1nnc2n1CCN(C(=O)c1oc3ccccc3c1C)[C@H](C)C2	ZINC22_585098230	354.403	SJUZFSGZYRTNIJ-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080606
COCc1nnc2n1CCN(C(=O)c1oc3ccccc3c1C)[C@@H](C)C2	ZINC22_585098232	354.403	SJUZFSGZYRTNIJ-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080607
n1c(C(CO)O)cc2CN(CCCn12)C(=O)Cn1c2ccccc2cc1	PC-id_91784222,EMOLS-id_55672015,MCULE-5381443991	354.403	AGJXDYXBYUXAQQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080608
N#C/C(=C/c1ccc(c(c1OC)OC)OC)/c1nnc2n1CCCCC2	CoCoCo_3456342	354.403	PFEJDVNBWJPMPD-KAMYIIQDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080609
N#CC(=Cc1ccc(c(c1OC)OC)OC)c1nnc2n1CCCCC2	EMOLS-id_26092859,MCULE-5085524624,PC-id_72084742	354.403	PFEJDVNBWJPMPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080610
N#C/C(=Cc1ccc(c(c1OC)OC)OC)/c1nnc2n1CCCCC2	PC-id_8863044,CoCoCo_3456341	354.403	PFEJDVNBWJPMPD-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080611
N#C/C(=C/c1cc(OC)c(c(c1)OC)OC)/c1nnc2n1CCCCC2	PC-id_66557338,CoCoCo_1737670	354.403	SIXIUVQONTZBPY-ZROIWOOFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080612
O1c2c(OC1)ccc(c2)/C=C/C(=O)NCCc1n2CCCCCc2nn1	PC-id_51307459	354.403	RJHDYOLLGIULLD-SOFGYWHQSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080613
O1c2c(OC1)ccc(c2)C=CC(=O)NCCc1n2CCCCCc2nn1	PC-id_75625039	354.403	RJHDYOLLGIULLD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080614
o1c(c(c2c1cccc2)COC)C(=O)NCc1n2CCCCCc2nn1	PC-id_51266291	354.403	JVDXAHNGMYQXHK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080615
o1c(c(c2c1ccc(OC)c2)C)C(=O)NCc1n2CCCCCc2nn1	PC-id_51185249	354.403	YWNPQWOWZHTMDY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080616
O1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_50798071	354.403	WNHMEIYAKRLSKO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080617
OC1CC(C1)C(=O)N1CCCn2cnc(C(=O)Nc3ccccc3)c2C1	EMOLS-id_313788474,ZINC22_1565553451	354.403	ZDJPCVDFHLZYQI-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-080618
Oc1ccc2c(c1)occ2C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_279115797	354.403	FCQACXVLGHYHDM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080619
OC1C(NC(=O)c2nn3c(CN(CCC3)C(=O)C)c2)c2c(C1)cccc2	PC-id_75595130	354.403	JTECQCKRCBNVRF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080620
O=C(c1ccccn1)N1CCC(C1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101036464	354.403	IWASYYFXWAURFK-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080621
O=C(c1ccccn1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111825487	354.403	OBPUZQUBMUVEGK-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080622
O=C(c1cccnc1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111825267	354.403	VHRYUDXNMOZPOL-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080623
O=C(c1cnc2n1CCCCC2)NCCC1(O)C(=O)Nc2c1cccc2	EMOLS-id_319641524	354.403	OBVQIMZEPJCHOL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080624
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cn1ccc2c1cccc2)O	PC-id_99980764	354.403	AGJXDYXBYUXAQQ-SFHVURJKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080625
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cn1ccc2c1cccc2)O	PC-id_99980769	354.403	AGJXDYXBYUXAQQ-GOSISDBHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080626
O=C(C(=O)c1cccnc1)N1CCCn2c(C1)cc(n2)[C@H](C1CCC1)O	PC-id_100037833	354.403	CHNZHRNYWJWSMK-KRWDZBQOSA-N	00001000100000101101000000000010000000000000000000000000	31-01-080627
O=C(C(=O)c1cccnc1)N1CCCn2c(C1)cc(n2)[C@@H](C1CCC1)O	PC-id_100037836	354.403	CHNZHRNYWJWSMK-QGZVFWFLSA-N	00001000100000101101000000000010000000000000000000000000	31-01-080628
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)C1NCc2c1cccc2	MCULE-4933156311,PC-id_56906394,EMOLS-id_43148874	354.403	IFHJKQSKUUYARD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080629
O=C(Nc1ccc(cc1)NC(=O)c1noc2c1CCCCC2)NC1CC1	EMOLS-id_100946406	354.403	HXVWQQOWUJHILY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-080630
O(C(=O)c1cc(CCn2c3NC=NCC(=O)c3nc2)cc(c1)CC)CC	PC-id_10760611	354.403	YEIBVRWCMDKNRY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-080631
O(C(=O)c1cc(CCn2c3NC=NCC(=O)c3nc2)c(CCC)cc1)C	PC-id_10713112	354.403	ADMYPFNWMQTGFB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-080632
OC(=O)C(CCCCn1c2c(nc1)NC=NCC2=O)Cc1ccccc1	PC-id_10713113	354.403	PDSHBAKCRLEQTP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-080633
OC(=O)C(CCCCn1c2NC=NCC(=O)c2nc1)Cc1ccccc1	PC-id_10641848	354.403	OFFDOUGQWMJNTH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-080634
c12C(CCCCn1nnn2)C(=O)NCc1ccc(cc1)N1CCCC1=O	MCULE-8553602322,EMOLS-id_68896201,PC-id_118773153	354.406	PQKMYSCJKJORQP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080635
c12C(CCCCn1nnn2)C(=O)NCCCc1oc2c(ccc(C)c2)n1	EMOLS-id_49658574,MCULE-1366832787,PC-id_74239739	354.406	NZTKEZZNJIIJNY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080636
c12c(C)noc1nc(CC)cc2C(=O)NCc1nnc2CCCCCn12	ZINC22_19714520,SYN-22884015,EMOLS-id_35985390,MCULE-6534535429	354.406	VWCWQIKUZMRENK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080637
CN(Cc1ccccc1)CCCC(=N)N1CCCc2c(C1=N)ccs2	PC-id_141859811	354.512	DIXGVZALEAYFHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081304
c12CN(CCCn1nc(CNc1oc3c(cccc3)n1)c2)C(=O)N(C)C	EMOLS-id_46624274,PC-id_72886631,MCULE-5196788610,ZINC22_95371360	354.406	PYNHJPVPZJTILM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080638
c12CN(CCCn1nc(CNC(=O)c1cnccn1)c2)C(=O)C1CCC1	PC-id_70781789,ZINC22_82160436,MCULE-2780763838,EMOLS-id_44450377	354.406	KCSWNJIQBQSRAO-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-080639
c12nc(C)cc(C(=O)N3CCCn4nc(CO)cc4C3)c1c(nn2C)C	MCULE-2545491279,PC-id_91794006,EMOLS-id_55700621	354.406	NEMGLRJXXPVLIE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080640
c12nnnn1CCCCC2C(=O)N1CCN(CC1)C(=O)c1ccccc1	PC-id_46994879,MCULE-9476586903,EMOLS-id_31619579	354.406	WKHZHJFTUDDSKD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080641
c12nnnn1CCCCC2C(=O)N1CCN(C(=O)C1)c1ccc(cc1)C	EMOLS-id_44434893,MCULE-4122090719,PC-id_70737166	354.406	KMYIEKWUBOFAOJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080642
c1(C(O)c2ccnn2C)cc2n(CCCN(C2)C(=O)c2cccn2C)n1	EMOLS-id_55704268,MCULE-2701686296,PC-id_91795231	354.406	VODNKXDWDVTPQQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-080643
c1(C(O)c2ccnn2C)cc2n(CCCN(C2)C(=O)c2cc[nH]c2C)n1	PC-id_91780390,EMOLS-id_55661037,MCULE-4504313437	354.406	VGTGQHLEFGYKNK-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-080644
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)Cn3cccc3)C2)n1	EMOLS-id_55642684,MCULE-8458529846,PC-id_91774118	354.406	LTRIYUAJBNMCFN-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-080645
c1(C(=O)N2CCCC2)cc2n(CCCN(C(=O)c3nccc(N)c3)C2)n1	EMOLS-id_32374666,PC-id_50951583,MCULE-7739307336,ZINC22_65374150	354.406	JCKHENLAVBFQLG-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080646
c1(C(=O)NC2CCc3n(c(nn3)COC)CC2)c2ccccc2n(C)n1	PC-id_91910766,MCULE-4931507054	354.406	JQVOBWFKTCFQLA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080647
c1(C(=O)NCc2c3CCCCCc3[nH]n2)cc2n(cc(cn2)CCO)n1	MCULE-5280756994,ZINC22_828773623,EMOLS-id_232856981	354.406	QDOQNMOXDZCLAC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080648
c1(noc(C)c1Cn1cccn1)C(=O)N1CCCn2ccnc2C1CC	EMOLS-id_97007727,MCULE-1854135435	354.406	GGNLUFZDHAMHPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080649
Cc1cc2[nH]c(=O)[nH]c2cc1NC(=O)CCc1cc2CNCCCn2n1	PC-id_70742857,EMOLS-id_43123479,MCULE-7263604812,ZINC22_72430151	354.406	GNMOQVAOJSZAPE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080650
CC1Cc2nnc(COc3ccccn3)n2CCN1Cc1cc(C)on1	EMOLS-id_313825828	354.406	UMZISYFEQKJMPI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080651
CC1Cc2nnc(COc3cccnc3)n2CCN1Cc1cc(C)on1	EMOLS-id_313824549	354.406	WKPZOEIZOPRSRT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080652
Cc1ccc2nc(CCCNC(=O)[C@@H]3CCCCn4nnnc34)oc2c1	PC-id_97911612,ZINC22_97572223	354.406	NZTKEZZNJIIJNY-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080653
Cc1ccc2nc(CCCNC(=O)[C@H]3CCCCn4nnnc34)oc2c1	ZINC22_97572224,PC-id_97911613	354.406	NZTKEZZNJIIJNY-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080654
Cc1ccc(c2cc(C(=O)N3CCc4nnc(C(C)C)n4CC3)[nH]n2)o1	PC-id_70782010,ZINC22_92028855,MCULE-9087864565,EMOLS-id_44745816	354.406	IACVVITZENFXIZ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-080655
Cc1cc(CN2Cc3ccnn3CCC2COc2ncc(C)cn2)no1	EMOLS-id_313820193	354.406	UGTJWIZKEPAQFM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080656
Cc1cc(CN2CCn3c(COc4ccccn4)nnc3C[C@H]2C)no1	ZINC22_585098521	354.406	UMZISYFEQKJMPI-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080657
Cc1cc(CN2CCn3c(COc4ccccn4)nnc3C[C@@H]2C)no1	ZINC22_585098524	354.406	UMZISYFEQKJMPI-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080658
Cc1cc(CN2CCn3c(COc4cccnc4)nnc3C[C@H]2C)no1	ZINC22_585098663	354.406	WKPZOEIZOPRSRT-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080659
Cc1cc(CN2CCn3c(COc4cccnc4)nnc3C[C@@H]2C)no1	ZINC22_585098664	354.406	WKPZOEIZOPRSRT-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080660
Cc1ccc(N2CCN(C(=O)[C@H]3CCCCn4nnnc34)CC2=O)cc1	PC-id_96575366,ZINC22_82108809	354.406	KMYIEKWUBOFAOJ-HNNXBMFYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080661
Cc1ccc(N2CCN(C(=O)[C@@H]3CCCCn4nnnc34)CC2=O)cc1	ZINC22_82108808,PC-id_96575365	354.406	KMYIEKWUBOFAOJ-OAHLLOKOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080662
Cc1cnc(cn1)C(=O)N1Cc2ccnn2CCC1CN1CCCC1=O	EMOLS-id_313816875	354.406	IUPPDVIOWPCWFE-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-080663
Cc1cnc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2=O)cn1	ZINC22_585097214	354.406	IUPPDVIOWPCWFE-AWEZNQCLSA-N	00000010100000100101000000000010000000000000000000000000	31-01-080664
Cc1cnc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2=O)cn1	ZINC22_585097219	354.406	IUPPDVIOWPCWFE-CQSZACIVSA-N	00000010100000100101000000000010000000000000000000000000	31-01-080665
Cc1cnc(OC[C@@H]2CCn3nccc3CN2Cc2cc(C)on2)nc1	ZINC22_585098106	354.406	UGTJWIZKEPAQFM-KRWDZBQOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080666
Cc1cnc(OC[C@H]2CCn3nccc3CN2Cc2cc(C)on2)nc1	ZINC22_585098109	354.406	UGTJWIZKEPAQFM-QGZVFWFLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080667
Cc1[nH]ccc1C(=O)N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1	PC-id_100062690,ZINC22_220657478	354.406	VGTGQHLEFGYKNK-QGZVFWFLSA-N	00000000110000000101000000000010000000000000000000000000	31-01-080668
Cc1[nH]ccc1C(=O)N1CCCn2nc([C@H](O)c3ccnn3C)cc2C1	ZINC22_220657541,PC-id_100062692	354.406	VGTGQHLEFGYKNK-KRWDZBQOSA-N	00000000110000000101000000000010000000000000000000000000	31-01-080669
Cc1onc(c1CN1CCCn2c(C1)c(COc1ccccn1)nn2)C	PC-id_97519087	354.406	LQCSOISYOIUPJQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080670
Cc1onc(c1CN1CCCn2c(C1)c(COc1cccnc1)nn2)C	PC-id_97410136	354.406	XWRVWOASSBBJTP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080671
CC(C1N(CCCn2c1ncc2)C(=O)c1ccc(o1)Cn1cncn1)C	EMOLS-id_55717392,MCULE-2123057820	354.406	KRLMZBDFCDZCQE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-080672
CCn1c(NCc2n[nH]c3c2CCCCC3)nc2cc(C(=O)O)cnc12	EMOLS-id_316234566,ZINC22_1506416375,MCULE-3947058894	354.406	FPRHSKAXGVHQPG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080673
Cn1cccc1C(=O)N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1	PC-id_100285078,ZINC22_223642851	354.406	VODNKXDWDVTPQQ-QGZVFWFLSA-N	00000000110000000101000000000010000000000000000000000000	31-01-080674
Cn1cccc1C(=O)N1CCCn2nc([C@H](O)c3ccnn3C)cc2C1	PC-id_100285090,ZINC22_223642919	354.406	VODNKXDWDVTPQQ-KRWDZBQOSA-N	00000000110000000101000000000010000000000000000000000000	31-01-080675
Cn1c(CNC(=O)C2CCCCc3n2c(=O)n(n3)C)nc2c1cccc2	EMOLS-id_207869457,MCULE-3378692033	354.406	WIBWVDVPKXLJEA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080676
Cn1c(=O)n(CC(=O)NCc2nnc3n2CCCCC3)c2ccccc12	EMOLS-id_30718613,ZINC22_48332029,MCULE-9440521498,PC-id_47019794	354.406	KDFBOPUNORZKHN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080677
Cn1nc2CCC(CCn2c1=O)NC(=O)CCc1nc2ccccc2[nH]1	PC-id_91910835,MCULE-7251826629,EMOLS-id_50586109	354.406	YUTHGVVNXDVMRY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080678
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cn1cccc1)C2	PC-id_100049033,ZINC22_219874869	354.406	LTRIYUAJBNMCFN-SFHVURJKSA-N	00000000110000000101000000000010000000000000000000000000	31-01-080679
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)Cn1cccc1)C2	PC-id_100049034,ZINC22_219874908	354.406	LTRIYUAJBNMCFN-GOSISDBHSA-N	00000000110000000101000000000010000000000000000000000000	31-01-080680
Cn1nnc2cc(CN3CCCn4nc(CCC(=O)O)cc4C3)ccc12	MCULE-2015755262,ZINC22_72411428,EMOLS-id_43062788,PC-id_56883442	354.406	XAOPBRZCFXKOPN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080681
CN(C1CCc2nnc(C)n2CC1)C(=O)c1ccc(Cn2ccnc2)o1	EMOLS-id_97099860	354.406	NPKUTLDBWAOVCM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-080682
CN(Cc1ccc2nonc2c1)C(=O)CCc1cc2CNCCCn2n1	PC-id_70783767,ZINC22_72480022,EMOLS-id_43177307,MCULE-9051191885	354.406	GEQIROXEZZHXJV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080683
COc1ccc2c(c1)nc(n2C)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319146828	354.406	UMPRRVKRJBHJAA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080684
COc1c(cc(cc1)CN1CCc2n[nH]c(=O)n2CC1)Cn1cccn1	EMOLS-id_50590163,PC-id_91922564,MCULE-4353347584	354.406	WCVKPUVZBUQCIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080685
COc1cccn2c1c(cn2)C(=O)N(Cc1nnc2n1CCCCC2)C	MCULE-4171567736,EMOLS-id_320111882	354.406	FYKNHFIPFSAZRF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080686
COCc1nnc2n1CCN(C(=O)c1nn(C)c3ccccc13)[C@H](C)C2	ZINC22_585097360	354.406	JJWRQXFVUHPKLP-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080687
COCc1nnc2n1CCN(C(=O)c1nn(C)c3ccccc13)[C@@H](C)C2	ZINC22_585097361	354.406	JJWRQXFVUHPKLP-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080688
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)C1CNC(=O)N1	MCULE-9293406031,EMOLS-id_337821447	354.406	APVPHLPZCNTBNG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080689
O=c1cc2n([nH]1)c(C)c(c(n2)C)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671406	354.406	FUMDFDRKHMAIFR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080690
O=c1n2CCCCCc2nn1CC(=O)NCc1n(c2c(n1)cccc2)C	PC-id_55561066	354.406	MGWJNRFBMGZATC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080691
O=C1NC[C@@H](C(=O)N2CCc3nc(CCc4ccccc4)nn3CC2)N1	ZINC22_2356139112	354.406	APVPHLPZCNTBNG-AWEZNQCLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080692
O=C1NC[C@H](C(=O)N2CCc3nc(CCc4ccccc4)nn3CC2)N1	ZINC22_2356139113	354.406	APVPHLPZCNTBNG-CQSZACIVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080693
O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCCCn3nnnc23)CC1	ZINC22_55327123,PC-id_52395142	354.406	WKHZHJFTUDDSKD-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080694
O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCCCn3nnnc23)CC1	ZINC22_55327126,PC-id_52395143	354.406	WKHZHJFTUDDSKD-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080695
O=C(N1CCCC1)c1nn2c(CN(CCC2)C(=O)c2cc(ncc2)N)c1	PC-id_50958595	354.406	MUJOVXULNPIYMW-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080696
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)nc(o2)N(C)C	EMOLS-id_101972923	354.406	GWOOIOOVGSLXED-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080697
O=C(N1CCCn2nc(cc2C1)C)C1CNC(NC1=O)c1ncccc1	PC-id_77842756	354.406	QYGLPCDTOHFWOJ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-080698
O=C(N1CCCn2nc(cc2C1)CNC(=O)c1nnccc1)C1CCC1	PC-id_70739097	354.406	BGODOKICHYJDFJ-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-080699
O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCCn2nnnc12	ZINC22_299787611	354.406	PQKMYSCJKJORQP-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080700
O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCCn2nnnc12	ZINC22_299787612	354.406	PQKMYSCJKJORQP-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080701
O=C(NCc1nn2CCCNCc2c1)C1NNC(=C2C(=O)C=CC=C2)C1	PC-id_78085548	354.406	XLVYVFZTMRUXBD-UHFFFAOYSA-N	00000010100011000101100000000010000000000000000000000000	31-01-080702
O=C(NCCO)c1nn2CCCN(Cc2c1)Cc1ncc2[nH]ccc2c1	PC-id_50961146	354.406	ZTAXQRQAYGNGSE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080703
O=C(NCCO)c1nn2CCCN(Cc2c1)Cc1[nH]c2c(n1)cccc2	PC-id_50948509	354.406	SZBFYLOWUHFVJQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080704
Fc1cc(F)c(c(c1)F)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102047394	354.408	GKHAMVQLKWLCCI-BQYQJAHWSA-N	00000010100000110110000000000010000000000000000000000000	31-01-080705
c12CN(CCCn1nc(CNc1ncnc3[nH]ccc13)c2)C(=O)N(C)C	EMOLS-id_44423681,PC-id_70705488,MCULE-4263271479,ZINC22_82083788	354.41	GZVNPXMBMKFKOU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080706
c12nc(C)cc(C)n1nc(C(=O)NCCc1nnc3CCNCCn13)c2	EMOLS-id_36443796,MCULE-3451975054,ZINC22_67884177,PC-id_56711876	354.41	XDRNKUXWHYACGZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080707
c12n(C)ncc1c(nc(C)n2)NCc1cc2n(CCCN(C(=O)C)C2)n1	ZINC22_95378789,PC-id_72905683,EMOLS-id_46633938,MCULE-3379262533	354.41	QNDQIYIYKCJALH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080708
c12ncnn1c(cc(C(=O)NCc1cc3n(CCCNC3)n1)n2)C(C)C	EMOLS-id_44432649,ZINC22_82106986,MCULE-3702338578,PC-id_70730674	354.41	OERMXNPZPJHJMY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080709
c12ncnn1c(cc(C(=O)NCc1nnc3CCCCCn13)n2)C(C)C	ZINC22_91849215,MCULE-8213909998,EMOLS-id_46029075,PC-id_72843176	354.41	IETXEEYQVKKOQE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080710
Cc1cc(C(=O)NC2CCn3c(CC2)nnn3)c2c(n1)n(nc2)C(C)C	EMOLS-id_102166444	354.41	ZQUSENFUHJNMDP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080711
Cc1cnnn1Cc1nnn2c1CN(C(=O)C1(C#N)CCCC1)CCC2	EMOLS-id_313732825,ZINC22_1565556098	354.41	WWSYGNDXYXWFAC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-080712
Cc1cnnn1Cc1nnn2c1CN(C(=O)CCc1ccc[nH]1)CCC2	EMOLS-id_313733081,ZINC22_1565554899	354.41	JPVMFKOXTIIWSE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-080713
CCn1c(N)nc2cc(cnc12)C(=O)NCc1nnc2CCCCCn12	ZINC22_77390544,PC-id_70737814,EMOLS-id_43574601,MCULE-7427778073	354.41	REMGRBNEDCBTRC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080714
N#Cc1nn2c(c1)CN(CCC2)C(=O)c1nnn(c1)C[C@@H]1CCCNC1	PC-id_95222467	354.41	ZXZQOASGUHAYFL-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080715
N#Cc1nn2c(c1)CN(CCC2)C(=O)c1nnn(c1)C[C@H]1CCCNC1	PC-id_95222468	354.41	ZXZQOASGUHAYFL-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080716
O=C(c1cc2cnn(c2nc1C)C(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102166447	354.41	AAZXPRGENXYOET-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080717
O=C(N1CCCn2nc(cc2C1)C#N)c1nnn(CC2CCCNC2)c1	PC-id_56719084	354.41	ZXZQOASGUHAYFL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080718
O=C(NCCc1n2CCCCCc2nn1)c1nn2c(cc(nc2n1)C)C	PC-id_60389692	354.41	HIFFMXFOCGFOJF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080719
s1c2c(C(N(OC)C(=O)c3c(cn(c3)C)C(F)F)CCCC2)cc1	PC-id_60152973	354.415	WDKISXFBVWLYLV-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-080720
CCC(c1nnc2n1CCCCC2)NC(=O)c1sccc1C(F)F	EMOLS-id_316631244	354.418	CRWXRNOAKYVRLT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080721
Fc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCCO)/C(=O)Nc2cc1	PC-id_60113750	354.418	NRJDXPPBNJROGV-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-080722
Fc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCO)C(=O)Nc2cc1	PC-id_72651838	354.418	NRJDXPPBNJROGV-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-080723
c1(C(=O)NCCCn2ccc3ccc(F)cc23)c2CCCCCc2[nH]n1	EMOLS-id_323255730,MCULE-8224339151	354.421	PWKIGLJBLKPXBS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080724
Cc1[nH]c2c(F)cccc2c1CCNC(=O)c1cc2c([nH]1)CCCNC2	ZINC22_2325820863	354.421	VOBSUBCGLFRMQF-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-080725
CCOC(=O)c1c(NC(=O)NCCC(=O)O)sc2c1CCCCC2	PC-id_122087725,MCULE-3231768132,EMOLS-id_72871313	354.421	RVTJOEKOOQSVDK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080726
COCCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CCCCC2	PC-id_2668997,MCULE-8376520534,EMOLS-id_33327134,ZINC22_3552004	354.421	VZEQTPQHJCFVLF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080727
COC(=O)c1c(NC(=O)NCCCC(=O)O)sc2c1CCCCC2	EMOLS-id_72871375,MCULE-8325795071,PC-id_122087756	354.421	GCJAILFSSKLWQN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080728
COC(=O)c1c(NC(=O)N(CCC(=O)O)C)sc2c1CCCCC2	PC-id_122087758,EMOLS-id_72871379,MCULE-3716922078	354.421	FCZBAGKCOYMMKI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-080729
c1(NC(=O)c2cc3c(cccc3)o2)sc2c(CCCCC2)c1C(=O)N	MCULE-4691975820,EMOLS-id_1775300,Chemmine_15339,CoCoCo_973595,ZINC22_1105218,PC-id_1284848	354.423	FNZZHGKDBZSBFG-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-080730
c1(NC(=O)c2ccc3c(OCO3)c2)sc2c(CCCCCC2)c1C#N	ZINC22_2757186,TIMTEC233669,EMOLS-id_4032405,PC-id_4135867,CoCoCo_5826637,MCULE-2503136083	354.423	JCOPEFARXROIOC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080731
c1(NC(=O)c2ccc(cc2)C(=O)OC)sc2c(CCCCC2)c1C#N	CoCoCo_1737877,ChEMBL-DNDi_CHEMBL3338-0889,MCULE-5247653638,EMOLS-id_15925483,PC-id_5071548,ZINC22_3893149	354.423	PCPVGDPAWCUUNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080732
c1(NC(=O)Cc2ccccc2C(=O)O)sc2c(CCCCC2)c1C#N	ZINC22_71280394,STOCK7S-18191,MCULE-1896045628,EMOLS-id_36507050,PC-id_53371220	354.423	DWFOHOSFXFFPRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080733
CN1C(=O)c2ccc(NC(=O)c3cc4c(s3)CCCCC4)cc2C1=O	ZINC22_96997071,EMOLS-id_49327039,MCULE-1613702491,PC-id_75511810	354.423	QKTXAEOCPZELER-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-080734
N#Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1	PC-id_7650089,ZINC22_5362361,MCULE-3696426670,EMOLS-id_43703973,CoCoCo_2861443	354.423	PPVHEIVZMIDJOU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080735
O=C(OCc1nnc(c2ccccc2)o1)c1cc2c(s1)CCCCC2	MCULE-6225187144,EMOLS-id_36987740,ZINC22_3551999,PC-id_2668992	354.423	AMJINGDVRIKDJD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080736
ONC(=O)c1sc2=CCC=C(C=c2c1)NC(=O)CCc1ccccc1	PC-id_143296600	354.423	SKLRRJCPDKXVTI-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-080737
s1c2CCCCCc2cc1C(=O)NNC(=O)c1oc2c(c1)cccc2	PC-id_9301203	354.423	ILDJQVVNFYHKRE-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-080738
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(cccc1)C#N	PC-id_7352092	354.423	KBEYZXYBBBKEPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080739
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(ccc1)C#N	PC-id_7650045	354.423	NCMKODYITHVSFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080740
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C#N)C(=O)OC	PC-id_4172978	354.423	CEIVTTCBFQNOJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080741
s1c2CCCCCc2c(c1NC(=O)Cc1cc2OCOc2cc1)C#N	PC-id_41107699	354.423	OLFIFLRLTPMMLL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080742
s1c2CCCCCc2c(c1NC(=O)COc1ccc(cc1)C=O)C#N	PC-id_30928004	354.423	XXGTWWFMORCDKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080743
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccccc1)C#N	PC-id_7514910	354.423	BZPHUGXVKDSLGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080744
Cc1cc(c2-c(cc(c2)P(c2ccccc2)c2ccccc2)c(c1)C)C	PC-id_135030401	354.424	XKLUOQHAIARRKX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-080745
c12C(=O)NCCCc1nc(NC(=O)C(C)NC(=O)OC(C)(C)C)s2	MCULE-8845846550,PC-id_72720009,EMOLS-id_48619050	354.425	FXFZSWHOAWTHTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080746
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_97428934,ZINC22_96124400	354.425	FXFZSWHOAWTHTB-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080747
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)C(=O)NCCC2	ZINC22_96124399,PC-id_97428933	354.425	FXFZSWHOAWTHTB-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080748
Fc1c(c(N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1)C#N	PC-id_51322764	354.425	MCQRYWWFAKMUPB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080749
c12C(=O)NCCCc1nc(NC(=O)Cc1c3ccccc3n(C)c1)s2	EMOLS-id_48619012,PC-id_72719966,ZINC22_96124379,MCULE-9189301346	354.426	DNPHYBQPODPLAC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080750
C1CN(CCc2c1nc(o2)C(=O)Nc1cnccc1)Cc1cccs1	PC-id_134807204	354.426	SLFSCCHPHYTQOT-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-080751
c1(C(O)c2ccccc2)cc2n(CCCN(C(=O)c3cncs3)C2)n1	MCULE-6551099449,PC-id_91781545,EMOLS-id_55664301	354.426	PNLYAZRSQDBEID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080752
c1(csc(Cc2ccccc2)n1)C(=O)N1CCc2c(c(=O)[nH][nH]2)CC1	PC-id_70773846,MCULE-8608525217,ZINC22_82146418,EMOLS-id_44447583	354.426	GWSCPIBMMFKPHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080753
Cc1nnc(o1)c1ccc(cc1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_99926541	354.426	GBIWBGZRPNETTN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080754
Cc1noc(n1)c1ccccc1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_99646278	354.426	FTBIGPJRPYNZKU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080755
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)c1cccs1	MCULE-3056183725,EMOLS-id_168607838	354.426	UBHOUWJRHQVFIC-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-080756
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)c1ccsc1	EMOLS-id_50586469,PC-id_91910698,MCULE-5073256101	354.426	VBKSFZBXNYGPNU-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-080757
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1[nH]nc2c1cccc2	CoCoCo_3430040,PC-id_40711354,MCULE-2888456314,EMOLS-id_27356065,CoCoCo_3430041	354.426	BICNUXHIZSVIRO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080758
O=C(c1cccs1)N1Cc2cncn2C[C@@H](COc2ccccn2)C1	ZINC22_96208017,PC-id_97476144	354.426	XSLOCPQHFUNILD-AWEZNQCLSA-N	00000000100100101101000000000010000000000000000000000000	31-01-080759
O=C(c1cccs1)N1Cc2cncn2C[C@H](COc2ccccn2)C1	ZINC22_96208018,PC-id_97476145	354.426	XSLOCPQHFUNILD-CQSZACIVSA-N	00000000100100101101000000000010000000000000000000000000	31-01-080760
O=C(c1cncs1)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1	PC-id_100087887,ZINC22_222255238	354.426	PNLYAZRSQDBEID-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080761
O=C(c1cncs1)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1	PC-id_100087889,ZINC22_222255300	354.426	PNLYAZRSQDBEID-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080762
O=C(c1nn(cc1O)c1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_112808240	354.426	IBBQPUSXYPUISM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080763
O=C(c1noc2c1CCCCC2)NCc1scc(n1)c1ccccn1	EMOLS-id_278436238	354.426	PGWOZZLVOVYEJB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080764
O=C(c1noc(c1)c1ccncc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98560708	354.426	OSQBAVDUPMNPPS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080765
O=C(N1CC(COc2ccccn2)Cn2cncc2C1)c1cccs1	EMOLS-id_49231035	354.426	XSLOCPQHFUNILD-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-080766
O=C(OCc1nnnn1c1ccccc1)c1cc2c(s1)CCCCC2	PC-id_27713568,EMOLS-id_24979885,CoCoCo_4013967,ZINC22_17654374,MCULE-8715865950	354.426	GLVBCRVGFCYRBG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080767
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c2[nH]ncc2ccc1	PC-id_60391971	354.426	DDJAFKXDIGGRRM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080768
CCn1cc(cn1)S(=O)(=O)N(C)C1CCc2nn(c(=O)n2CC1)C	PC-id_91922719	354.428	XJJRILUITCRCHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080769
c12C(CCCCn1nnn2)C(=O)NCc1csc(c2ccccc2)n1	PC-id_118763890,MCULE-3782357648,EMOLS-id_68876426	354.429	XIKKWJVECGBYKY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080770
c12C(CCCCn1nnn2)C(=O)NCc1scc(c2ccccc2)n1	MCULE-1455662602,PC-id_118778723,EMOLS-id_68907699	354.429	CUINNIFFSWRDLU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080771
c12C(=O)NCC(C)(C)Cc1[nH]c(Cc1csc(c3cnccn3)n1)n2	EMOLS-id_48624042,MCULE-8860364116,PC-id_72843319,ZINC22_95498471	354.429	AZEMXKNLINLQJS-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-080772
c1(csc(c2ncccn2)n1)C(=O)NCc1c2CCCCCc2[nH]n1	EMOLS-id_222772796,ZINC22_670454425,MCULE-2524910133	354.429	DZKAVWAQNNUPFI-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-080773
c1(csc(C)n1)C(=O)N1CCn2c(CC1)nnc2Cc1cccnc1	MCULE-3560667482,EMOLS-id_44441637,PC-id_70756393,ZINC22_82129467	354.429	ZPCLBURWNNQJNF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080774
c1(NC(=O)Cc2ccc(cc2)n2cnnn2)sc2c(CCCCC2)n1	EMOLS-id_48568398,EMOLS-id_49403854,STOCK7S-43335,PC-id_71703203,MCULE-6249220406,ZINC22_45955272	354.429	IBIDHNXCOJOLBK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080775
c
(=NC(=O)C(c2ccccc2)n2cnnn2)/sc2c(CCCCC2)[nH]1	MCULE-4626392017,PC-id_71701151,EMOLS-id_49394069	354.429	MQLNIILLGCHUJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080776
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(cc1)Cn1cnnn1	MCULE-5019370013,EMOLS-id_323236939	354.429	MEJNKTVUOHYBKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080777
c1(sc2c(CCCCC2)n1)NC(=O)c1cccc(c1)n1c(C)nnn1	MCULE-3307593113,EMOLS-id_323235392	354.429	XYYLXSYFSIITGO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080778
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(cc1)n1c(C)nnn1	MCULE-5609391300,EMOLS-id_323224392	354.429	DBGKUUSQWZKOKI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080779
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(c(c1)n1cnnn1)C	MCULE-1826653232,EMOLS-id_323251276	354.429	TZUKRELDSMQYQA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080780
c1(sc2c(CCCCC2)n1)NC(=O)[C@H](c1ccccc1)n1cnnn1	ZINC22_79483759,PC-id_71829775,EMOLS-id_44209488,STOCK7S-32981,MCULE-4447708155	354.429	MQLNIILLGCHUJX-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080781
c1(sc2c(CCCCC2)n1)NC(=O)[C@@H](c1ccccc1)n1cnnn1	ZINC22_95472714,PC-id_97263623,MCULE-1409139574	354.429	MQLNIILLGCHUJX-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080782
O=C(c1cccc(c1)n1cnnn1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98561563	354.429	HJJXVZSVBXKESA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080783
O=C(c1cccs1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_247801441	354.429	GBZVVKPECKZHLF-CYBMUJFWSA-N	00000000100100100101000000000010000000000000000000000000	31-01-080784
O=C(c1cccs1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_247801443	354.429	GBZVVKPECKZHLF-ZDUSSCGKSA-N	00000000100100100101000000000010000000000000000000000000	31-01-080785
O=C(C1CCn2c(CC1)nnc2)NCc1scc(n1)c1ccccn1	EMOLS-id_319637315	354.429	XUJMCOHXQDDEDA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080786
O=C(C1CCn2c(CC1)nnc2)NCc1scc(n1)c1ccncc1	EMOLS-id_320240800,MCULE-9629132861	354.429	ISLKSHZFMYVWIL-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080787
O=C(c1cscn1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_247880068	354.429	VLDKMYZWOJYJOU-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080788
O=C(c1cscn1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_247880072	354.429	VLDKMYZWOJYJOU-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080789
O=C(c1sc(nc1C)c1ncccn1)N1CCCc2c(C1)cnn2C	EMOLS-id_101670115	354.429	SQVRMUFCUYGVBG-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-080790
O=C(/C=C/c1cccs1)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_1565542446	354.429	AQQDFBFOELUPGP-XGACYXMMSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080791
O=C(/C=C/c1cccs1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_1614946304	354.429	AQQDFBFOELUPGP-RDFMZFSFSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080792
O=C(/C=C/c1cccs1)N1CCc2nnc(Cn3cccn3)n2CC1	ZINC22_2055713505,EMOLS-id_313726170	354.429	XVWKOKBUKKDDSK-SNAWJCMRSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080793
O=C(/C=C/c1cccs1)N1CCCn2c(Cn3ccnc3)nnc2C1	ZINC22_1565554205,EMOLS-id_313732308	354.429	UBZOMSKQRVEHAE-SNAWJCMRSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080794
O=C(/C=C/c1cccs1)N1CC(Cn2cncn2)Cn2ccnc2C1	EMOLS-id_313721308	354.429	AQQDFBFOELUPGP-ONEGZZNKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080795
O=C(N1CC(CNc2ccccn2)Cn2nccc2C1)c1cscn1	EMOLS-id_50375155	354.429	VLDKMYZWOJYJOU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080796
O=C(N1CC(CNc2ncccn2)Cn2nccc2C1)c1cccs1	EMOLS-id_50371469	354.429	GBZVVKPECKZHLF-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-080797
O=C(Nc1ccncc1)c1nc2CCN(Cc3cn[nH]c3)CCc2s1	ZINC22_1203091133,EMOLS-id_313791291	354.429	WEEPOEMWNUJOAW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080798
O=C(Nc1nc2c(s1)CCCCCC2)c1cccnc1n1cncn1	EMOLS-id_32082254,MCULE-7806886441,ZINC22_55375450,PC-id_47070903	354.429	GUHBFTPVYHRXRT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080799
O=C(Nc1nc2c(s1)CCCCCC2)c1ccnc(n2cncn2)c1	EMOLS-id_32082262,PC-id_47070907,ZINC22_55376211,MCULE-2454485060	354.429	ZIKQKADDVGEJAX-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080800
O=C(NCc1csc(c2ccccc2)n1)[C@H]1CCCCn2nnnc12	ZINC22_299771243	354.429	XIKKWJVECGBYKY-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080801
O=C(NCc1csc(c2ccccc2)n1)[C@@H]1CCCCn2nnnc12	ZINC22_299771246	354.429	XIKKWJVECGBYKY-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080802
O=C(NCc1nc(c2ccccc2)cs1)[C@@H]1CCCCn2nnnc12	ZINC22_299776526	354.429	CUINNIFFSWRDLU-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080803
O=C(NCc1nc(c2ccccc2)cs1)[C@H]1CCCCn2nnnc12	ZINC22_299776529	354.429	CUINNIFFSWRDLU-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-080804
FC(CN1CCC(CC1)CC(=O)N1Cc2cn[nH]c2CC(C1)(C)C)F	EMOLS-id_316429880,MCULE-6636551771	354.438	DMWIOYFBWNZWRC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-080805
O=C(CSc1ccc(F)cc1F)Nc1nc2c(s1)CCCCC2	ZINC22_21902251,MCULE-2150913612,CoCoCo_4546213,EMOLS-id_24959269,PC-id_29859450	354.438	ODDUQLPBMJNBEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080806
c1(NC(=O)C=Cc2ccc(F)cc2)sc2c(CCCCCC2)c1C#N	PC-id_1741968,MCULE-5292324850	354.441	BXCRTTPJTAZNQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080807
CN=CN(C(=O)c1cc2c(s1)CC=CC=C2C)c1cc(C)cc(c1)F	PC-id_143487846	354.441	YLBMGSWDKATPJT-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-080808
Fc1ccc(/C=C/C(=O)Nc2sc3CCCCCCc3c2C#N)cc1	SPECS-id_AK-968/12101107,PC-id_5570129,TIMTEC89265,EMOLS-id_45936389,ZINC22_2082951,CoCoCo_6792052	354.441	BXCRTTPJTAZNQT-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080809
N#Cc1c(NC(=O)/C=Cc2ccc(cc2)F)sc2c1CCCCCC2	CoCoCo_6792053	354.441	BXCRTTPJTAZNQT-XFXZXTDPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080810
Cc1ccc(cc1)OC1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100103415	354.443	LEOMANZHRGNZSO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080811
Cc1cc(C(=O)N2CCCc3occc3C2)ccc1NC(=O)CC(C)C	EMOLS-id_316829900,MCULE-6937837798,ZINC22_808480952	354.443	SKLLLEQWAUFBIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080812
CC1COC(CN1C(=O)c1noc2c1CCCCC2)c1ccccc1C	EMOLS-id_100109007	354.443	USTIWKSJVHKDDL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080813
CC(C)CC(=O)N[C@H](C(=O)N1CCCc2occc2C1)c1ccccc1	ZINC22_557605625	354.443	NPYVKPREFQZWEG-FQEVSTJZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080814
CC(C)CC(=O)N[C@@H](C(=O)N1CCCc2occc2C1)c1ccccc1	ZINC22_557605628	354.443	NPYVKPREFQZWEG-HXUWFJFHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080815
COc1ccc(cc1Cn1ccc2c1C(=O)/C(=C/N(C)C)/CCC2)OC	SCHEMBL18250009,PC-id_122705198	354.443	MZESIUBYRSQOSA-DTQAZKPQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-080816
O=C(c1noc2c1CCCCC2)N1CCC(CC1)COc1ccccc1	EMOLS-id_100964358	354.443	VOQUTTVRMWONFU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080817
O=C(c1noc2c1CCCCC2)N1CCOC(C1)CCc1ccccc1	EMOLS-id_100146062	354.443	IBPZMTQVTAMJST-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080818
O=C(c1noc2c1CCCCC2)N(C1CCOC1)CCc1ccccc1	EMOLS-id_100993639	354.443	RIRLGYRZWWSGNG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080819
O=C(c1noc2c1CCCCC2)N(Cc1ccccc1)CC1CCCO1	EMOLS-id_100127391	354.443	DDGBLZSCVLRZSY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080820
O=C(c1noc2c1CCCCC2)NC(c1ccccc1)CC1CCOC1	EMOLS-id_100172447	354.443	MMAULRFAMSKRFU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080821
O=C(c1noc2c1CCCCC2)NCC1(CCOCC1)c1ccccc1	EMOLS-id_100095072	354.443	SWVPIZUMPKEUBJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080822
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1sc(c(c1)C)C	EMOLS-id_112072318	354.444	FRFHGBNQHOFPQE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080823
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+]CC(=O)NC)C(=O)OC	PC-id_8771915	354.444	BJCXAOSZSRNMQA-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-080824
c12CCN(CCc1[nH][nH]c2=O)C(=O)C1CCCCN1Cc1ccccc1	EMOLS-id_55684945,MCULE-3400128996,PC-id_91840269	354.446	DXXLSHRPAPKSKQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080825
c12CN(CCCn1nc(C)c2)C(=O)Nc1cccc(OC2CCCC2)c1	MCULE-3884841985,PC-id_118795672,ZINC22_299801967,EMOLS-id_68941174	354.446	ZLJBVANCYKXOOR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080826
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1ccccc1N1CCCC1	PC-id_91793889,MCULE-9210370439,EMOLS-id_55700305	354.446	BBFSCJVUGZTELK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080827
c12CN(CCCn1nc(CNC(=O)CCc1ccccc1C)c2)C(=O)C	ZINC22_82091384,PC-id_70710720,MCULE-7248602453,EMOLS-id_44425587	354.446	KRFYNGYKORNQPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080828
c12CN(CCCn1nc(CNC(=O)C(=O)c1ccccc1)c2)CC(C)C	EMOLS-id_44445125,PC-id_70766610,MCULE-1230765988,ZINC22_82137438	354.446	XTKPOLZPZOBIGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080829
c12CN(CCCn1nc(CO)c2)C(=O)c1ccc(cc1)N1CCCCC1	MCULE-5712204171,EMOLS-id_55663459,PC-id_91781251	354.446	XASRMCYBELTHSM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080830
c12C(=O)N(CCCn1nc(C(=O)NCCCC)c2)Cc1ccc(cc1)C	PC-id_16028370,EMOLS-id_32846144,CHEMBL1317949,MCULE-9735869791	354.446	TXFJLBPZGZREJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080831
c12C(=O)N(CCCn1nc(C(=O)NC(C)CC)c2)Cc1ccc(cc1)C	PC-id_16028665,MCULE-9879331142,EMOLS-id_32846100	354.446	JZIBSCAJYBCPQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080832
c12C(=O)N(CCCn1nc(C(=O)NCCCC)c2)Cc1cccc(C)c1	EMOLS-id_32633188,PC-id_53034583,MCULE-2344960873	354.446	VOAGCUZLKKQARH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080833
c12C(=O)N(CCCn1nc(C(=O)NC(C)CC)c2)Cc1cccc(C)c1	MCULE-5079596899,EMOLS-id_32633086,PC-id_53034554	354.446	WUEAWEKGCMVARH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080834
c1(cc2n(CCCN(Cc3ccccc3)C2)n1)C(=O)N1CCC[C@H]1CO	EMOLS-id_32403368,MCULE-6335534073,ZINC22_65409459,PC-id_50966740	354.446	CJJMGGJQRLCUTF-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080835
c1cc2n(n1)C[C@@H](CN1CCCC1)CN(Cc1ccc3c(c1)OCO3)C2	ZINC22_253603528	354.446	GZJJHSWMUVYKAF-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080836
c1cc2n(n1)C[C@H](CN1CCCC1)CN(Cc1ccc3c(c1)OCO3)C2	ZINC22_253603530	354.446	GZJJHSWMUVYKAF-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080837
c1(CN(C)C(=O)NCc2ccc3c(CCO3)c2)c2CCCCCc2[nH]n1	PC-id_121509629,ZINC22_426632905,EMOLS-id_177478996,MCULE-2652049393	354.446	QZMJSDRGOQKFIT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080838
c1(C(O)C2CCC2)cc2n(CCCN(C(=O)CCc3ccncc3)C2)n1	MCULE-9055683554,EMOLS-id_50531471,PC-id_90648880	354.446	FJGXLAZLGPKVJS-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-080839
c1(C(=O)N2CCC(CC2)Oc2ccc(cc2)C)nnc2CCCCCn12	ZINC22_299802980,MCULE-9767587016,PC-id_118786333,EMOLS-id_68922761	354.446	ZOADOHMGQDKMDA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080840
c1(C(=O)N2CCN(CC2)c2ccccc2OC)c2CCCCCc2n[nH]1	MCULE-1177397788,EMOLS-id_50400572,PC-id_75356955,STOCK7S-46576,EMOLS-id_49247616,ZINC22_96231255	354.446	IXFQXBMSOUSQGX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080841
c1(C(=O)NCc2cc3CCCc3cc2OC)cc2n(CCCN(C)C2)n1	MCULE-2993462825,ZINC22_65460924,PC-id_50974820,EMOLS-id_32418602	354.446	DGXZCDFFITXRAU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080842
c1(C(=O)NCC2CCCO2)cc2n(CCCN(Cc3ccccc3)C2)n1	EMOLS-id_32386718,MCULE-3775301959,PC-id_50957922	354.446	LQWBFSDSLMQFLW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080843
c1(C(=O)NCC2(COc3ccccc3)CC2)cc2n(CCCN(C)C2)n1	PC-id_50974267,EMOLS-id_32417588,ZINC22_65459042,MCULE-4981013127	354.446	MQKNWGSOWWXQSZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-080844
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)c(C)[nH]c2CCCC(=O)c12	EMOLS-id_55686581,ZINC22_223051312,MCULE-4142165023,PC-id_91789249	354.446	YBWMDJREWIVALQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-080845
c1(C(=O)N(CC=C)Cc2ccccc2OC)cc2n(CCCN(C)C2)n1	ZINC22_65467644,PC-id_50976386,MCULE-9181358863,EMOLS-id_32421550	354.446	GXWRHUPINKKIER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080846
c1(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)cc2n(CCCNC2)n1	EMOLS-id_32369300,MCULE-3567144397,PC-id_50948846,ZINC22_65370558	354.446	LTFRUKPAWTXHPW-IEBWSBKVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080847
Cc1ccc2c(c1)cc(CN1CCCn3nc([C@H](O)CO)cc3C1)n2C	PC-id_100066980,ZINC22_221319942	354.446	XAPZQHBPKGACLP-HXUWFJFHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080848
Cc1ccc2c(c1)cc(CN1CCCn3nc([C@@H](O)CO)cc3C1)n2C	PC-id_100066981,ZINC22_221319998	354.446	XAPZQHBPKGACLP-FQEVSTJZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080849
Cc1ccc2n(C)c(CN3CCCn4nc(cc4C3)C(O)CO)cc2c1	PC-id_90652603,MCULE-1058661166,EMOLS-id_50545157	354.446	XAPZQHBPKGACLP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-080850
Cc1ccccc1C(C1CC1)NC(=O)Cn1c(=O)n2CCCCCc2n1	EMOLS-id_50320248,PC-id_91642664,MCULE-2750470662	354.446	PEVKHEGDSXABLO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-080851
Cc1ccccc1[C@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1	PC-id_99807441,ZINC22_170626099	354.446	PEVKHEGDSXABLO-LJQANCHMSA-N	00100000100000110101000000000010000000000000000000000000	31-01-080852
Cc1ccccc1[C@@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)C1CC1	PC-id_99807442,ZINC22_170626100	354.446	PEVKHEGDSXABLO-IBGZPJMESA-N	00100000100000110101000000000010000000000000000000000000	31-01-080853
Cc1cc(C)cc(c1)C(=O)N1CCCn2nnc(COCC3CC3)c2C1	EMOLS-id_46181727,PC-id_97405187,ZINC22_96084360	354.446	BBIXGSAYHPQVSM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-080854
Cc1ccc(cn1)C(=O)N1CC(COCC2CCC2)Cn2cncc2C1	EMOLS-id_49231147	354.446	INJNZNFXGQUAKA-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-080855
CC1(CCCCO1)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337695677,MCULE-3253218075	354.446	CKZOWMZOTQLPOT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080856
Cc1ccc(C(=O)N2Cc3cncn3C[C@@H](COCC3CCC3)C2)cn1	PC-id_97476217,ZINC22_96208090	354.446	INJNZNFXGQUAKA-KRWDZBQOSA-N	00001000100000101101000000000010000000000000000000000000	31-01-080857
Cc1ccc(C(=O)N2Cc3cncn3C[C@H](COCC3CCC3)C2)cn1	ZINC22_96208089,PC-id_97476216	354.446	INJNZNFXGQUAKA-QGZVFWFLSA-N	00001000100000101101000000000010000000000000000000000000	31-01-080858
Cc1ccc(C(=O)N2Cc3c[nH]nc3C[C@H](C)C2)cc1N1CCOCC1	ZINC22_1651750542	354.446	FKBRILUDCIAIDL-AWEZNQCLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080859
Cc1ccc(C(=O)N2Cc3c[nH]nc3C[C@@H](C)C2)cc1N1CCOCC1	ZINC22_1651750543	354.446	FKBRILUDCIAIDL-CQSZACIVSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080860
C(C1CN(Cc2ccc3OCOc3c2)Cc2ccnn2C1)N1CCCC1	EMOLS-id_50373359	354.446	GZJJHSWMUVYKAF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080861
C[C@@]1(C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)CCCCO1	ZINC22_2100483227	354.446	CKZOWMZOTQLPOT-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080862
C[C@]1(C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)CCCCO1	ZINC22_2100483228	354.446	CKZOWMZOTQLPOT-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080863
CCc1ccc(cc1)C1OCCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319832019,MCULE-7972483223	354.446	ULBGPCFKFBIJCU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080864
CCc1ccc(cc1)C(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97413550	354.446	RPAQPXXUSFBVGB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-080865
CCCCC(c1cnn(c1)C)NC(=O)c1cc2=CC(OC)C=CC=c2[nH]1	PC-id_144935530	354.446	XIKICPCZSZBOLC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-080866
CC(C)C(=O)c1ccc(NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc1	MCULE-8216866639,EMOLS-id_177303902,ZINC22_585098484	354.446	WYMQZVGXPRLESG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080867
CC[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C	PC-id_92337189	354.446	JZIBSCAJYBCPQF-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080868
CC[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C	PC-id_92337190	354.446	JZIBSCAJYBCPQF-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080869
CC[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_95056125	354.446	WUEAWEKGCMVARH-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080870
CC[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_95056126	354.446	WUEAWEKGCMVARH-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080871
C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccccc1N1CCCC1)C2	PC-id_100263444,ZINC22_223512010	354.446	BBFSCJVUGZTELK-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080872
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccccc1N1CCCC1)C2	ZINC22_223511967,PC-id_100263436	354.446	BBFSCJVUGZTELK-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080873
CC(O)c1cc2CN(Cc3ccc(cc3)N3CCCC3=O)CCCn2n1	MCULE-8955010566,PC-id_91764196,EMOLS-id_55614517	354.446	BCLYSZVWSQBKBG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080874
CCOc1ccc(cc1)C1CCCN1C(=O)C1CCn2c(CC1)nnc2	MCULE-8570414995,EMOLS-id_319899853	354.446	RSZHSDYDUJYDFK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080875
COc1ccc(C2(C(=O)NCc3nnc4n3CCCCC4)CCC2)cc1	ZINC22_497723648,EMOLS-id_320295158,MCULE-1997549750,PC-id_138996374	354.446	VWUZVDXYOLBSFJ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-080876
COc1ccc(cc1)C1(CCC1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319453359	354.446	PRLNVAIXRYHZNP-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-080877
COc1cccc(c1)C1CCN1C(=O)NCc1n[nH]c2CCCCCc12	PC-id_121512804,EMOLS-id_177503989,MCULE-5623272016	354.446	WZUPJJIGYMAQGC-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-080878
COc1ccc(cc1)C1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319737387	354.446	UKXSYOFSXDONPP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080879
COc1ccc(cc1)C1NCCN(C1)C(=O)c1cnc2n1CCCCC2	EMOLS-id_319218954	354.446	GJARQHNKIFFNRC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080880
COc1cccc(c1)C1NCCN(C1)C(=O)c1cnc2n1CCCCC2	EMOLS-id_319474622	354.446	CTCDPYJHSSETTO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080881
COc1ccc(cc1)C1NCCN(C1)C(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_316650880	354.446	VPZUNHJFDSQXTR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080882
COc1cccc(c1)C1NCCN(C1)C(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319285029	354.446	GFXCMWVDRZFREK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080883
COc1ccc(cc1/C=C/C(=O)NCCc1nnc2n1CCCCC2)C	PC-id_93984032	354.446	WLQPZXIEARMUCU-CSKARUKUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080884
COc1ccc(cc1)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	EMOLS-id_44370158,PC-id_97519391,ZINC22_96259307	354.446	SNEBZUBHQUWTKT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080885
COc1cccc(c1)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	PC-id_97519390,EMOLS-id_44370156,ZINC22_96259306	354.446	RVPXLZCDURFFGJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080886
COc1ccc(cc1)N1CCN(CC1)C(=O)c1n[nH]c2CCCCCc12	MCULE-2283959852,EMOLS-id_323250102	354.446	BGKFEISRMFVTNP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080887
COc1cccc(c1)N1CCN(CC1)C(=O)c1n[nH]c2CCCCCc12	MCULE-8739453584,EMOLS-id_323251128	354.446	DBAJPKUNHUFHEB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080888
COc1cccc([C@@H]2CCN2C(=O)NCc2n[nH]c3c2CCCCC3)c1	ZINC22_426712835	354.446	WZUPJJIGYMAQGC-IBGZPJMESA-N	00001000100000110101100000000010000000000000000000000000	31-01-080889
COc1cccc([C@H]2CCN2C(=O)NCc2n[nH]c3c2CCCCC3)c1	ZINC22_426712836	354.446	WZUPJJIGYMAQGC-LJQANCHMSA-N	00001000100000110101100000000010000000000000000000000000	31-01-080890
COCc1nnc2CC(C)N(CCn12)C(=O)CC1Cc2ccccc2C1	EMOLS-id_313825831	354.446	WSVCWCNBSIQRNL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080891
COCc1nnc2n1CCN(C(=O)CC1Cc3ccccc3C1)[C@@H](C)C2	ZINC22_585098675	354.446	WSVCWCNBSIQRNL-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080892
COCc1nnc2n1CCN(C(=O)CC1Cc3ccccc3C1)[C@H](C)C2	ZINC22_585098676	354.446	WSVCWCNBSIQRNL-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080893
COCCNC1=c2c(=CCC(=N1)N)ccn2Cc1ccccc1OCC	PC-id_144603486	354.446	YSUICXQFVSPLSE-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-080894
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)C1CCOCC1	PC-id_56719450,EMOLS-id_36459359,ZINC22_67908833,MCULE-9863537708	354.446	LQOQVEDHVVPDFZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080895
N#CC1(C(=O)N2CCc3ccc(C(=O)NCC4CC4)n3CC2)CCCC1	ZINC22_1565544100,EMOLS-id_313773263	354.446	DCRCAMBEBLFYIU-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-080896
Oc1ccc(cc1)CN1CCN(CC1)C(=O)c1cnc2n1CCCCC2	MCULE-7364239440,EMOLS-id_320269913	354.446	XEMFGVVZFWCUNS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080897
Oc1ccc(cc1)CN1CCN(CC1)C(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_319007624	354.446	VIXWAOUJIHOFSE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080898
O=C1CCCN1c1ccc(cc1)CN1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99972074	354.446	BCLYSZVWSQBKBG-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080899
O=C1CCCN1c1ccc(cc1)CN1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99972075	354.446	BCLYSZVWSQBKBG-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080900
O(C1C(NC(=O)c2nn3c(c2)CNCCC3)CCC1)Cc1ccccc1	PC-id_75588186	354.446	LTFRUKPAWTXHPW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080901
O=C1N(CCCn2nc(cc12)C(=O)NCCC(C)C)Cc1ccccc1	PC-id_50798068	354.446	UZNGHDDFYCKTFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080902
O(CC1CC1)c1ccc(cc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_56024436	354.446	KZWBXBTZLHZRDL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-080903
O=C(C1CCCCC1)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	PC-id_91922488,EMOLS-id_50590075,MCULE-7095444018	354.446	OBHYHMAGVPGMNQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080904
OC(C1CCCCN1C(=O)C1CCn2c(CC1)nnc2)c1ccccc1	EMOLS-id_316569991	354.446	QVKJXXKILPIERT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080905
O=C(C1CCn2c(CC1)nnc2)N1CCOC(C1)CCc1ccccc1	EMOLS-id_316731354	354.446	XDTDXFBPPFWICA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080906
O=C(C1CCn2c(CC1)nnc2)NC1CCC(CC1)(O)c1ccccc1	EMOLS-id_319823582,MCULE-3691780198	354.446	FTMRNGAINBKZNL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080907
O=C(C1CCn2c(CC1)nnc2)NC(c1ccccc1)C1CCOCC1	MCULE-5203664051,EMOLS-id_320314117	354.446	ROZRRVPZQNTLEO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080908
O=C(c1cnc2n1CCCCC2)N1CCC(CC1)(O)Cc1ccccn1	EMOLS-id_319539793	354.446	VPFSKKLWZGOCEJ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080909
OCC1N(CCC1)C(=O)c1nn2c(CN(CCC2)Cc2ccccc2)c1	PC-id_75591848	354.446	CJJMGGJQRLCUTF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080910
O=C(c1noc2c1CCCCC2)NC1CCN(CC1)Cc1ccccn1	EMOLS-id_100940409	354.446	GQTWFHMWISJEDV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080911
O=C(c1noc2c1CCCCC2)NCc1ccc(nc1)N1CCCCC1	EMOLS-id_100942290	354.446	YQLKPLVMGRCITD-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-080912
O=C(c1noc2c1CCCCC2)NCc1ccnc(c1)N1CCCCC1	EMOLS-id_100942236	354.446	FDLTYOCBLCDYPX-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-080913
O=C(CC1CN(Cc2ccncc2)Cc2cccn2C1)N1CCOCC1	EMOLS-id_313811234	354.446	QOINASCULSLERH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080914
O=C(CCc1ccc[nH]1)N1CCc2ccc(C(=O)NCC3CC3)n2CC1	EMOLS-id_313773519,ZINC22_1565543908	354.446	KXJVLUODWWSUQI-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-080915
O=C(CCc1ccncc1)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1	ZINC22_219313945,PC-id_100038229	354.446	FJGXLAZLGPKVJS-FQEVSTJZSA-N	00001000100000101101000000000010000000000000000000000000	31-01-080916
O=C(CCc1ccncc1)N1CCCn2nc([C@H](O)C3CCC3)cc2C1	ZINC22_219313977,PC-id_100038231	354.446	FJGXLAZLGPKVJS-HXUWFJFHSA-N	00001000100000101101000000000010000000000000000000000000	31-01-080917
O=C(C[C@@H]1CN(Cc2ccncc2)Cc2cccn2C1)N1CCOCC1	ZINC22_585099155	354.446	QOINASCULSLERH-GOSISDBHSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080918
O=C(C[C@H]1CN(Cc2ccncc2)Cc2cccn2C1)N1CCOCC1	ZINC22_585099156	354.446	QOINASCULSLERH-SFHVURJKSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080919
O=C([C@H]1CCCCN1Cc1ccccc1)N1CCc2[nH][nH]c(=O)c2CC1	ZINC22_252483241	354.446	DXXLSHRPAPKSKQ-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080920
O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCc2[nH][nH]c(=O)c2CC1	ZINC22_252483242	354.446	DXXLSHRPAPKSKQ-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080921
O=C(Cn1nc2c(c1)C(=O)NCC(C2)(C)C)NCCc1ccccc1C	EMOLS-id_318329985	354.446	HBFIBRMSUYWVJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080922
O=C(N1CCc2[nH][nH]c(=O)c2CC1)c1cc(CC2CCNCC2)ccc1	PC-id_56893083	354.446	NAMLBUANHDQINK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-080923
O=C(N1CCCc2c(C1)cnn2C)c1ccnc(c1)OC1CCCCC1	EMOLS-id_101674775	354.446	VRRTXMJWOYFEFR-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080924
O=C(N1CCCc2c(C1)cnn2C)NC1CCOC(C1)c1ccccc1	EMOLS-id_101695634	354.446	JADPYKILDFCHLX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080925
O=C(N1CCCn2c(C1)c(COCC1CC1)nn2)CCc1ccccc1	PC-id_97405196	354.446	VFGOKJPQFUTSGT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-080926
O=C(N1CCCn2c(C1)cnc2)C1(Nc2ccc(OC)cc2)CCCC1	PC-id_56911044	354.446	CKDRTXYPRNCDNH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080927
O=C(N(C1CC1)Cc1ccc(o1)C1CC1C)C1CCn2c(CC1)nnc2	EMOLS-id_319039162	354.446	BLOWCDCRXJMGMH-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-080928
O=C(Nc1ccc(nc1)N1CCCCC1)CN1CCCc2c(C1)cco2	EMOLS-id_99341884	354.446	AKKJTXHPUYMFMZ-UHFFFAOYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-080929
O=C(N(Cc1ccccc1C)C)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318159123	354.446	VZZONQZPTQKZNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080930
O=C(NCc1nnc2n1CCCCC2)C1(c2ccccc2)CCOCC1	MCULE-4131243497,PC-id_138997009,EMOLS-id_320313847,ZINC22_298510014	354.446	OFRHZMBBSIPKDX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080931
O=C(NCCc1n2CCCCCc2nn1)/C=C/c1ccc(OCC)cc1	PC-id_51307486	354.446	YSBMHWJTUVUVKG-FMIVXFBMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080932
O=C(NCCc1n2CCCCCc2nn1)C=Cc1ccc(OCC)cc1	PC-id_75625042	354.446	YSBMHWJTUVUVKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080933
O=C(NCCc1n2CCCCCc2nn1)C=Cc1c(OC)ccc(c1)C	PC-id_55552533	354.446	WLQPZXIEARMUCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-080934
O=C(NC[C@H]1CCCO1)c1cc2n(n1)CCCN(Cc1ccccc1)C2	PC-id_95124393,ZINC22_65393452	354.446	LQWBFSDSLMQFLW-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080935
O=C(NC[C@@H]1CCCO1)c1cc2n(n1)CCCN(Cc1ccccc1)C2	ZINC22_65393451,PC-id_95124392	354.446	LQWBFSDSLMQFLW-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-080936
O=NC(C1CCN(CC1)C(=O)C)CC1C/C=CC=C/C(=C)c2n1cnc2	PC-id_121322168,SCHEMBL17733952	354.446	CYMDVODKKBASMN-GLIMQPGKSA-N	00000000100010000111000000000010000000000000000000000000	31-01-080937
Cn1cnc(c1)S(=O)(=O)NCC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318271153	354.448	WJQIECAGBCNVFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080938
CNS(=O)(=O)c1csc(c1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101673077	354.448	KVNDVEXWBQSQMV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080939
CS(=O)(=O)NCC1CN(Cc2ccnn2C1)C(=O)c1cccs1	EMOLS-id_50372113	354.448	URTPXJGDQXJKSB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080940
CS(=O)(=O)NCC1CN(Cc2ccnn2C1)C(=O)c1ccsc1	EMOLS-id_50375151	354.448	BPMFTRZBNXOOQZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080941
CS(=O)(=O)NCc1ncn2c1CN(C(=O)c1ccsc1)CCC2	ZINC22_96259427,PC-id_97519511,EMOLS-id_44370406	354.448	KYNMMDWMLLZXMO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080942
CS(=O)(=O)NC[C@@H]1CN(C(=O)c2cccs2)Cc2ccnn2C1	ZINC22_247546605	354.448	URTPXJGDQXJKSB-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080943
CS(=O)(=O)NC[C@H]1CN(C(=O)c2cccs2)Cc2ccnn2C1	ZINC22_247546614	354.448	URTPXJGDQXJKSB-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-080944
CS(=O)(=O)NC[C@@H]1CN(C(=O)c2ccsc2)Cc2ccnn2C1	ZINC22_247491368	354.448	BPMFTRZBNXOOQZ-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-080945
CS(=O)(=O)NC[C@H]1CN(C(=O)c2ccsc2)Cc2ccnn2C1	ZINC22_247491373	354.448	BPMFTRZBNXOOQZ-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-080946
n12CCN(CCc1nn(CC1CC1)c2=O)S(=O)(=O)c1cccs1	MCULE-5448905731,EMOLS-id_50585741,PC-id_91922478	354.448	BRTANPNYQNXEHU-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-080947
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)c1sc(c(n1)C)C	EMOLS-id_112084436	354.448	ZHXZOVMSVCPYRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080948
O=C(N1CCCc2c(C1)ccs2)CCn1ncc(c1)S(=O)(=O)N	EMOLS-id_318292354	354.448	CGJBXYQJVKRUJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080949
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cn(nc1)C	PC-id_55647307	354.448	NUYCXYDIJQEEIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-080950
c12CN(CCCn1nc(C)c2)C(=O)Nc1ccnn1CC1CCC=CC1	MCULE-8489121214,EMOLS-id_68916994,PC-id_118783370	354.449	KYJVFQRUKMVPQC-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-080951
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)Cc1cccnc1N	PC-id_72837428,MCULE-7986928714,ZINC22_91254819,EMOLS-id_46024875	354.449	XXXLWWJTJVPIMK-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-080952
c12CN(CCCn1nc(CNc1nc(C)cc(C)n1)c2)C(=O)C1CCC1	ZINC22_82087609,EMOLS-id_44424921,PC-id_70708993,MCULE-1768734893	354.449	VMYLGGSBWWCELU-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-080953
c12CN(CCCn1nc(CNc1ncnc(C)c1C)c2)C(=O)C1CCC1	PC-id_70784619,EMOLS-id_44451411,ZINC22_82161714,MCULE-5212185090	354.449	ZUVRUQJTUFRPBL-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-080954
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3cccc(C)n3)CCn12	PC-id_45232214,MCULE-7891850667,EMOLS-id_20665739,ChEMBL-DNDi_CHEMBL69776373	354.449	VWXGQNUVKREGGT-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-080955
c1(CN(C)c2cncc(C(=O)N3CCCC3)n2)c2CCCCCc2[nH]n1	EMOLS-id_316205018,PC-id_134705093,MCULE-3175108607,ZINC22_1529155091	354.449	NWKYHWFEHFHHTF-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-080956
c1(CN(C)C(=O)C=Cc2cnc(nc2)N(C)C)c2CCCCCc2[nH]n1	MCULE-7870456842	354.449	HDXMOPAGMBSPAN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080957
c1(C(=O)N2CCCN(c3ccncc3)CC2)cc2n(CCCN(C)C2)n1	MCULE-1203913295,EMOLS-id_32411848,PC-id_50971242,ZINC22_65433332	354.449	SLSUIXVJOJAEJZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080958
c1(C(=O)N2CCCN(c3ccncc3C)CC2)nnc2CCCCCn12	EMOLS-id_316269587,ZINC22_1506401917,MCULE-9692840670	354.449	KSNREOSHILWWOH-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-080959
c1(C(=O)N2CCN(CC2)Cc2c(cccn2)C)cc2n(CCCNC2)n1	MCULE-9934415669,PC-id_50953395,ZINC22_65380804,EMOLS-id_32378160	354.449	DVZBHSWFQYRMCF-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080960
c1(C(=O)NC2CC2)cc2n(CCCN(Cc3cn(nc3C)CC=C)C2)n1	EMOLS-id_32377790,ZINC22_65380496,PC-id_50953202,MCULE-5284171513	354.449	JPOKNCKDQVMCAO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-080961
c1(C(=O)NCC(c2cccnc2)N2CCCC2)cc2n(CCCNC2)n1	MCULE-9501273633,EMOLS-id_32433206,PC-id_50982578	354.449	NNWZPIRAEXQCSJ-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080962
Cc1cc2n(n1)CCCN(C(=O)Nc1ccnn1C[C@H]1CC=CCC1)C2	ZINC22_299775852	354.449	KYJVFQRUKMVPQC-INIZCTEOSA-N	00000000100011000101000000000010000000000000000000000000	31-01-080963
Cc1cc2n(n1)CCCN(C(=O)Nc1ccnn1C[C@@H]1CC=CCC1)C2	ZINC22_299775858	354.449	KYJVFQRUKMVPQC-MRXNPFEDSA-N	00000000100011000101000000000010000000000000000000000000	31-01-080964
Cc1ccc(cc1)C1CCCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163480	354.449	ZUDZMBOZNCNLOT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080965
Cc1ccc(c(c1)C1CCCN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102165151	354.449	PCIURLDCHABXAH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080966
Cc1ccc(cc1)C1CN(C(C1)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168958	354.449	BSTLMAIBVROSKW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080967
Cc1ccc(c(c1)C)C1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168994	354.449	AEAFSJSMXUEJMZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080968
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)n1	CoCoCo_1517876,ZINC22_20110011,CoCoCo_1517875,PC-id_28634917	354.449	VWXGQNUVKREGGT-AWEZNQCLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-080969
Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)n1	ZINC22_20110010,CoCoCo_1517873,CoCoCo_1517874,PC-id_28634916	354.449	VWXGQNUVKREGGT-CQSZACIVSA-N	00100000100000101101000000000010000000000000000000000000	31-01-080970
Cc1ccc([C@H]2CCCCN2C(=O)N[C@H]2CCc3nnnn3CC2)cc1	ZINC22_333809084	354.449	ZUDZMBOZNCNLOT-DLBZAZTESA-N	00000000100010110101100000000010000000000000000000000000	31-01-080971
Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H]2CCc3nnnn3CC2)cc1	ZINC22_333809086	354.449	ZUDZMBOZNCNLOT-IAGOWNOFSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080972
Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H]2CCc3nnnn3CC2)cc1	ZINC22_333809087	354.449	ZUDZMBOZNCNLOT-IRXDYDNUSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080973
Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCc3nnnn3CC2)cc1	ZINC22_333809088	354.449	ZUDZMBOZNCNLOT-SJORKVTESA-N	00000000100010110101100000000010000000000000000000000000	31-01-080974
Cc1ccc(cn1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	ZINC22_96084733,PC-id_97405556,EMOLS-id_46182493	354.449	WZDRNUIHFUTNNX-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080975
Cc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cn1	ZINC22_22476382,EMOLS-id_31377873,MCULE-1182784641,PC-id_30346245	354.449	GOJMXJQKIHGPJS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080976
CC1CC(CN1C(=O)NC1CCn2c(CC1)nnn2)c1ccccc1C	EMOLS-id_102163423	354.449	RNNJXYLLVPOPGX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080977
CC1CC(C(N1C(=O)NC1CCn2c(CC1)nnn2)C)c1ccccc1	EMOLS-id_102161386	354.449	GVJXQJAGFZMDMC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080978
CC1CCC(N(C1)C(=O)NC1CCn2c(CC1)nnn2)c1ccccc1	EMOLS-id_102161116	354.449	AMBMHEZVRLNOLR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-080979
Cc1ccc(o1)c1[nH]ncc1CNCCCc1nnc2n1CCCCC2	EMOLS-id_51656262,MCULE-7920966568,PC-id_119110709	354.449	IMDTVUKTSXVVEI-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-080980
Cc1cncc(c1)C(=O)N1CCCn2c(C1)c(nn2)CN1CCCCC1	PC-id_97410160	354.449	AJKQICUSKZOPBH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080981
Cc1cnnn1Cc1ncn2c1CN(C(=O)[C@]1(C)CC=CCC1)CCC2	ZINC22_1565543402	354.449	PIQPHCZWFIRXFK-LJQANCHMSA-N	00000000100011000101000000000010000000000000000000000000	31-01-080982
Cc1cnnn1Cc1ncn2c1CN(C(=O)[C@@]1(C)CC=CCC1)CCC2	ZINC22_1615103306	354.449	PIQPHCZWFIRXFK-IBGZPJMESA-N	00000000100011000101000000000010000000000000000000000000	31-01-080983
Cc1cnnn1Cc1ncn2CCCN(Cc12)C(=O)C1(C)CCC=CC1	EMOLS-id_313729757	354.449	PIQPHCZWFIRXFK-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-080984
Cc1nc(NCc2cc3n(n2)CCCN(C3)C(=O)C)nc(c1)C1CCC1	EMOLS-id_44434013,MCULE-3700154748,PC-id_70734706	354.449	HFYNLSJYDFFGBB-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-080985
CCc1ccc(cc1)C1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161287	354.449	JLQGYILZPGFFEX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080986
CCc1ccc(cn1)C(=O)N1CCCn2nnc(CN3CCCC3)c2C1	EMOLS-id_313732570,ZINC22_2055717908	354.449	FDMJSOBPGAAPOP-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-080987
CC(c1cccnc1)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	MCULE-8292530323,EMOLS-id_319886150	354.449	CBXIOADIRGBAFB-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-080988
C/C=C(/CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1cccnc1)C)C	CoCoCo_1319859,CoCoCo_1319861	354.449	MANHNSFQVIMEDV-XUYKZZHDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080989
C/C=C(CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1cccnc1)C)/C	CoCoCo_1319860,CoCoCo_1319858	354.449	MANHNSFQVIMEDV-PSGIOISBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080990
C/C=C(CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1cccnc1)C)/C	CoCoCo_1319862,CoCoCo_1319864	354.449	MANHNSFQVIMEDV-XCROGBHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080991
C/C=C(/CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1cccnc1)C)C	CoCoCo_1319865,CoCoCo_1319863	354.449	MANHNSFQVIMEDV-DOCFVWFQSA-N	00000000100000101101000000000010000000000000000000000000	31-01-080992
CC(=O)N1CCCn2c(C1)cc(n2)CNc1nccc(n1)C1CCCC1	MCULE-7015957123,PC-id_70743955,EMOLS-id_44437319	354.449	NWNOBUSOXTWFCJ-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-080993
CN(C1CCCC1c1ccccc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102107051	354.449	NIERTKNWWBBFBA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-080994
CN(C)c1ncc(/C=C/C(=O)N(C)Cc2n[nH]c3CCCCCc23)cn1	EMOLS-id_232889285,ZINC22_823615283	354.449	HDXMOPAGMBSPAN-MDZDMXLPSA-N	00000000100000100101000000000010000000000000000000000000	31-01-080995
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1nc3ccccc3[nH]1)C2	ZINC22_218861485,PC-id_100028273	354.449	DYSAVTNAUIHLEY-GOSISDBHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080996
CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1nc3ccccc3[nH]1)C2	ZINC22_218861562,PC-id_100028277	354.449	DYSAVTNAUIHLEY-SFHVURJKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080997
CN(C)CC(O)c1cc2CN(Cc3nc4ccccc4[nH]3)CCCn2n1	MCULE-5511086276,PC-id_91765842,EMOLS-id_55619186	354.449	DYSAVTNAUIHLEY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-080998
CN=C(NCc1nnc2n1CCCCC2)NCC1Cc2c(O1)cccc2	PC-id_111949141	354.449	HIROPHMYPHHLFF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-080999
n12CCCNCc1cc(CNC(=O)C1CCCN(c3ccccn3)C1)n2	PC-id_70758031,EMOLS-id_44442197,MCULE-9093187449	354.449	YSEHISYNKUELFM-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-081000
n1c(CNC2CCN(CC2)C(=O)c2cnccn2)c2c(CCCCC2)[nH]1	EMOLS-id_232864731,ZINC22_828215302,MCULE-8238534630	354.449	NHMUPNXVFUIUAO-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-081001
O=C1C(=C2NC(NCc3nn4c(CNCCC4)c3)CC(N2)C)C=CC=C1	PC-id_78084387	354.449	VOXIPBYGSXTBGW-UHFFFAOYSA-N	00000000100011000101100000000010000000000000000000000000	31-01-081002
O(c1cc2[nH]c(nc2cc1)CCN(Cc1nn2c(CNCCC2)c1)C)C	PC-id_56885211	354.449	QXFKFRPQEVJAND-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081003
O(c1nccc(NCc2nn3CCCN(Cc3c2)CC(C)C)c1C#N)C	PC-id_70735535	354.449	CYKIYFNSUREWQU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081004
O=C(C1CCn2c(CC1)nnc2)N1CCN(CC1)CCc1ccncc1	EMOLS-id_279025797	354.449	XOWDQRLNUZOUME-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081005
O=C(c1ccnc(c1)NC1CCC1)NCCc1nnc2n1CCCCC2	EMOLS-id_278506134	354.449	RIVUKSOVDDEXIS-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-081006
O=C(N1CC(C1c1cccnc1)(C)C)NCc1nnc2n1CCCCC2	EMOLS-id_100530087	354.449	XYGQCJIWTHBZGN-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-081007
O=C(N1CC(C1)(C(C)C)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102107111	354.449	XZVWRQCBYYQVGP-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-081008
O=C(N1CC(c2c1cccc2)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102168928	354.449	RGFOFFHARDYMCS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081009
O=C(N1CCCC1c1cccc(c1C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102163471	354.449	JWJDAEAGBAWNMG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-081010
O=C(N1CC(CC1c1ccccc1)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102216994	354.449	JJOPEVGNQYTYMC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-081011
O=C(N1CCC(C1(C)C)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102107153	354.449	KEJRTUUTGJKVQM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-081012
O=C(N1CCC(C1C)Cc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102164974	354.449	YFRJWLULZHJZBV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081013
O=C(N1CCCC1(C)Cc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102167170	354.449	VGGPKNBAFVQIHR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081014
O=C(N1CCC(C1)Nc1ccccc1)NCc1nnc2n1CCCCC2	EMOLS-id_98824519	354.449	JCFMLJYTRUUUCD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081015
O=C(N1CCCc2c(C1)cnn2C)CN1CCN(CC1)c1ccccn1	EMOLS-id_101672966	354.449	AYJIRYVODQOVPL-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-081016
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(nc1)N1CCCCC1	EMOLS-id_101947080	354.449	DBELQRJAMPTRPL-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-081017
O=C(N1CCCc2c(C1)cnn2C)NCc1ccc(nc1)N1CCCC1	EMOLS-id_101723901	354.449	BCTNMZCAZPPWLB-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-081018
O=C(N1CCCc2c(C1)cnn2C)NCc1ccnc(c1)N1CCCC1	EMOLS-id_101719725	354.449	IQRZKMHXLIDFSX-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-081019
O=C(N1CCC(CC1)c1ccccc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102163222	354.449	VPGUJLSQIXKABU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081020
O=C(N1CCC(CC1)Cc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102028559	354.449	GGURXCGREZEGFW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081021
O=C(N1CCCC(C1)Cc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102163219	354.449	CMIDTZSPOKHKAV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081022
O=C(N1CCCC(C1)(C)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102163306	354.449	GZHIMNIDOIUFQQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081023
O=C(N1CCC(CC1)(C)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102166909	354.449	KKLNZKPEQDNZMZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081024
O=C(N1CCCCCC1c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102158878	354.449	JIXGGSACJWWHMB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081025
O=C(N1CCn2c(nnc2CCc2ccccc2)CC1)C1NNC(C1)C	PC-id_76406496	354.449	APOAZRWIMSSYHO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081026
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1nc(ccc1)C	PC-id_46541294	354.449	XIWJEWFJUVZCRK-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081027
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Nc1ccccc1	PC-id_51307307	354.449	GMNNYAJPVMUIIM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081028
O=C(NC1CCc2c1cc(cc2)C(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102171752	354.449	JREJOMYRXSGGIX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081029
O=C(Nc1ccccc1)N1CCCn2nnc(CN3CCCCC3)c2C1	PC-id_97519674,ZINC22_96259592,EMOLS-id_44370732	354.449	HSZLHRKPDSOFQO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081030
O=C(NC1CCn2c(CC1)nnn2)NC1CCC(CC1)c1ccccc1	EMOLS-id_102168253	354.449	GRNNPTZQRWBJIL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081031
O=C(NC1CCn2c(CC1)nnn2)NC1CCCC(C1)c1ccccc1	EMOLS-id_102173087	354.449	CGLLQQJCGMUBEI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081032
O=C(NCc1cc2n(n1)CCCNC2)[C@H]1CCCN(c2ccccn2)C1	PC-id_96578090,ZINC22_82127349	354.449	YSEHISYNKUELFM-HNNXBMFYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-081033
O=C(NCc1cc2n(n1)CCCNC2)[C@@H]1CCCN(c2ccccn2)C1	ZINC22_82127353,PC-id_96578091	354.449	YSEHISYNKUELFM-OAHLLOKOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-081034
O=C(NCc1nn2c(CN(CCC2)Cc2c(nccc2)N)c1)C1CCC1	PC-id_70761849	354.449	XUXKGZKTMPWXIW-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-081035
O=C(NCCc1n2CCCCCc2nn1)c1c(N2CCCC2)nccc1	PC-id_60389536	354.449	NMWKPODSOMKFDJ-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-081036
O=C(NCCc1n2CCN(CCc2nn1)C/C(=C/C)/C)c1cccnc1	PC-id_42340095	354.449	KAALPKKUTYSDCA-CRKCGEKBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081037
O=C(NCCc1n2CCN(CCc2nn1)CC(=CC)C)c1cccnc1	PC-id_74844130	354.449	KAALPKKUTYSDCA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081038
O=C(NCCc1nnc2n1CCCCC2)c1ccnc(C2CCCC2)n1	PC-id_99589492,ZINC22_121489107,MCULE-3414380251,EMOLS-id_50344701	354.449	RKUWAOHGUFCQEA-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-081039
O=C(NC[C@@H](c1cccnc1)N1CCCC1)c1cc2n(n1)CCCNC2	PC-id_95147091,ZINC22_65526373	354.449	NNWZPIRAEXQCSJ-SFHVURJKSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081040
O=C(NC[C@H](c1cccnc1)N1CCCC1)c1cc2n(n1)CCCNC2	ZINC22_65526372,PC-id_95147090	354.449	NNWZPIRAEXQCSJ-GOSISDBHSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081041
s1c2CCCCCc2cc1C(=O)OCC(=O)c1cc2CCCc2cc1	PC-id_7351951	354.463	IAAIKONJPWQUNP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-081042
c12CN(CCCn1nc(CN1CCC(c3ccccc3F)C1)c2)CC=C	EMOLS-id_43174456,PC-id_56915094,MCULE-7995074287	354.464	PVABDOBWWJPOAK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-081043
C=CCN1CCCn2nc(CN3CC[C@@H](c4ccccc4F)C3)cc2C1	ZINC22_216866546,PC-id_99969083	354.464	PVABDOBWWJPOAK-QGZVFWFLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-081044
C=CCN1CCCn2nc(CN3CC[C@H](c4ccccc4F)C3)cc2C1	ZINC22_72169425,PC-id_95728542	354.464	PVABDOBWWJPOAK-KRWDZBQOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-081045
Fc1ccc(C2=CCN(CCCc3n4CCCCCc4nn3)CC2)cc1	PC-id_59939430,SCHEMBL7957285	354.464	OKXHMXGGVAELFU-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-081046
Fc1ccc(cc1)N1CCN(CC1)CCN1CC=Cc2c(C1)ccn2C	PC-id_67696066,SCHEMBL8802763	354.464	UAWQTWJDKFAISB-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-081047
c1(NC(=O)c2ccc(cc2)OCCC)sc2c(CCCCC2)c1C#N	ZINC22_2766889,CoCoCo_201710,EMOLS-id_1338831,BAS-01506101,MCULE-2075084897,PC-id_3131763,TIMTEC568738	354.466	YGCNMJBCBRVSLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081048
c1(NC(=O)c2ccc(cc2)OC(C)C)sc2c(CCCCC2)c1C#N	ZINC22_4079553,CoCoCo_4975959,PC-id_4563816,MCULE-3084684138,EMOLS-id_5430863	354.466	AAYJYAKGRGBAGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081049
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCCCCC2)c1C#N	CoCoCo_5817273,ZINC22_2740685,PC-id_4551007,TIMTEC431413,EMOLS-id_4032588,MCULE-7359605673,SPECS-id_AK-968/12117347	354.466	RPDOFJHFVQSTEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081050
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCCCC2)c1C(=O)N	MCULE-8687233641,PC-id_3594307	354.466	NQBJQHQPVOLGAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081051
c1(NC(=O)CCc2ccc(cc2)OC)sc2c(CCCCC2)c1C#N	ZINC22_2746102,EMOLS-id_4032592,TIMTEC570800,MCULE-4790903746,CoCoCo_6802359,PC-id_4159945	354.466	YIJQBHPPTAVJLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081052
c1(NC(=O)C=Cc2ccccc2)sc2c(CCCCCC2)c1C(=O)N	MCULE-6313140885,PC-id_1009539	354.466	LLXYSQQJZCPSLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081053
c1(NC(=O)COc2c(C)cccc2C)sc2c(CCCCC2)c1C#N	STOCK2S-32781,CoCoCo_6879607,PC-id_1224181,EMOLS-id_3742950,MCULE-8534428877,ZINC22_1000359	354.466	DKZDVWLBBKKWFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081054
c1(NC(=O)COc2ccc(CC)cc2)sc2c(CCCCC2)c1C#N	PC-id_3348102,EMOLS-id_8835266,ZINC22_5911619,MCULE-6263940519	354.466	IXEHMLXSZBIYLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081055
Cc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	CoCoCo_5829591	354.466	NQBJQHQPVOLGAL-QXMHVHEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081056
Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	TIMTEC339162,ZINC22_2761501,PC-id_5870205,CoCoCo_5829590,EMOLS-id_26499909	354.466	NQBJQHQPVOLGAL-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081057
NC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCCCC2	CoCoCo_6785901,ZINC22_669536,TIMTEC288970,EMOLS-id_26781331,PC-id_1009541	354.466	LLXYSQQJZCPSLL-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081058
o1nc(C(=O)NC2CC[NH+](CC2)Cc2ccccc2)c2CCCCCc12	PC-id_51720330	354.466	DFBDGSYTAUEKNK-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-081059
O=C1CCC(N1)c1ccccc1NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_279017875	354.466	ATDNYWZEOHFIPK-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-081060
O=C1Nc2c(C1)cc(cc2)C(NC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_97771262	354.466	KLBSTGVJDZKDGE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-081061
O=C(c1cc2c(s1)CCCCC2)Nc1ccccc1N1CCCC1=O	EMOLS-id_23974489,CoCoCo_4159976,PC-id_26955460	354.466	SUYPRWMBIHLRGF-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-081062
O=C(c1cc2c(s1)CCCCC2)NCCC1C(=O)Nc2c1cccc2	MCULE-3767447127,EMOLS-id_98333790	354.466	SCTHNWLHNCWRED-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-081063
O=C(Nc1cccc(N2CCCC2=O)c1)c1cc2c(s1)CCCCC2	ZINC22_6987821,PC-id_8134939,MCULE-6555979761,EMOLS-id_24496099,CoCoCo_4047042	354.466	HPLSTWNKSMVYRE-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-081064
O=C(Nc1sc2c(c1C(=O)N)CCCCCC2)/C=Cc1ccccc1	CoCoCo_6785902	354.466	LLXYSQQJZCPSLL-SEYXRHQNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081065
O=C(NCC[C@H]1C(=O)Nc2ccccc12)c1cc2c(s1)CCCCC2	ZINC22_24392001	354.466	SCTHNWLHNCWRED-OAHLLOKOSA-N	00000010100000100100000000001010000000000000000000000000	31-01-081066
s1c2CCCCCc2cc1C(=O)Nc1ccc(N2CCCC2=O)cc1	PC-id_9371166	354.466	IRZYFMIPJAWDMC-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-081067
s1c2CCCCCc2cc1C(=O)Nc1ccc(NC(=O)C2CC2)cc1	PC-id_24601517	354.466	YXKWERMRRHADDV-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-081068
s1c2CCCCCc2cc1C(=O)NN=CC=Cc1c(OC)cccc1	PC-id_78620879	354.466	HBYAZASEKXNCFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081069
s1c2CCCCCc2cc1C(=O)NNC(=O)C1(CC1)c1ccccc1	PC-id_33109982	354.466	HULKXWZOPGAVRI-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-081070
s1c2c(CCCCC2)c(c1NC(=O)c1cc2CCCc2cc1)C(=O)N	PC-id_55354968	354.466	MGDCULSGFAJCEB-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-081071
s1c2CCCCCc2c(c1NC(=O)Cc1cc(c(OC)cc1)C)C#N	PC-id_16848104	354.466	AHIRSSVWCSWZLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081072
s1c2CCCCCc2c(c1NC(=O)Cc1ccc(OCC)cc1)C#N	PC-id_8719671	354.466	VZDYREUPUSIGRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081073
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccccc1)C(=O)NC	PC-id_7475066	354.466	PDADOGAHSKNBEO-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081074
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccccc1)C(=O)NC	PC-id_78487959	354.466	PDADOGAHSKNBEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081075
s1c2CCCCCc2c(c1NC(=O)C(Oc1ccccc1)CC)C#N	PC-id_5096586	354.466	JABLUERBJVKAOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081076
s1c2CCCCCCc2c(c1NC(=O)c1ccc(OCC)cc1)C#N	PC-id_3611489	354.466	ZILUESMXRMLVRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081077
s1c(NC(=O)C2C(C2)c2ccccc2)c(c2c1CCCCC2)C(=O)N	PC-id_4307274	354.466	ZNDKUJCCDMIYNS-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-081079
N(=Nc1cc(c2-c1ccccc2)CSc1ccccc1)c1ccccc1	CNP0454288	354.467	KYBQNNFQVBWEHD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-081080
S(Cc1c2-c(c(/N=N/c3ccccc3)c1)ccccc2)c1ccccc1	PC-id_71674142	354.467	KYBQNNFQVBWEHD-OCOZRVBESA-N	00000010100000110110000000000010000000000000000000000000	31-01-081081
CC1CCCC(N1C(=O)CS(=O)(=O)c1nnc2n1CCCCC2)C	EMOLS-id_111004143	354.468	NFYVZNZMLRXUHW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081082
CCC1CCCCN1C(=O)CS(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_111004068	354.468	COVWQTYFSCBQCA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081083
CCC(c1nnc2n1CCCCC2)NC(=O)C1CCCCS1(=O)=O	EMOLS-id_100242274	354.468	UVZKAEDZFOAXRD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081084
CCCCS(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	PC-id_97519484,ZINC22_96259400	354.468	XXHXTBAVWSKJRC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081085
CC(C)CS(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	ZINC22_96259401,PC-id_97519485,EMOLS-id_44370352	354.468	CVZZIVRZDKWTRZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081086
CC(C(N1CCCS1(=O)=O)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101674745	354.468	WBWPPCZFEVPEMH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081087
CC(C)S(=O)(=O)NCc1cc2CN(CCCn2n1)C(=O)C1CCC1	ZINC22_82127675,EMOLS-id_44442363,PC-id_70758531,MCULE-2088891855	354.468	OIQZICWPEFESLE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-081088
CCN1CCN(CC1)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	MCULE-9657558608,EMOLS-id_317419099	354.468	AHSXRAQIVIOPOL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081089
CN1CCC(CC1)NC(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317418588,MCULE-6802362685	354.468	KCDMBETXYOGGIA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081090
CN(C(=O)CS(=O)(=O)c1nnc2n1CCCCC2)C1CCCCC1	EMOLS-id_111004071	354.468	XTWNDJBOCXVJFO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081091
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)NCCN1CCCC1	MCULE-3013617693,EMOLS-id_317416029	354.468	GVMXERMPJGSZSR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081092
CS(=O)(=O)N1CCCn2nc(CNC(=O)C3CCCCC3)cc2C1	MCULE-9739124583,ZINC22_82107641,EMOLS-id_44433345,PC-id_70732727	354.468	KWVJFAGLYVPHFL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081093
CS(=O)(=O)N1CCCn2nc(CNC(=O)CC3CCCC3)cc2C1	PC-id_70735191,ZINC22_82108210,EMOLS-id_44434197,MCULE-7314295174	354.468	BUOFFOPSCMQURE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081094
CS(=O)(=O)NCC1CCn2nccc2CN1C(=O)CC1CCCC1	EMOLS-id_313817896	354.468	AFMBILNNZGDLSH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081095
CS(=O)(=O)NCc1ncn2c1CN(C(=O)C1CCCCC1)CCC2	EMOLS-id_44370434,PC-id_97519524,ZINC22_96259440	354.468	VGUXIMFOKZJNPG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081096
CS(=O)(=O)NCc1ncn2c1CN(C(=O)CC1CCCC1)CCC2	ZINC22_96259439,PC-id_97519523,EMOLS-id_44370432	354.468	IXBXIVJIQHSLAX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081097
CS(=O)(=O)NC[C@@H]1CCn2nccc2CN1C(=O)CC1CCCC1	ZINC22_585096682	354.468	AFMBILNNZGDLSH-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081098
BrCC1C(C)CCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_102787660	356.321	DFJGGNWHMQAHAT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-082323
CS(=O)(=O)NC[C@H]1CCn2nccc2CN1C(=O)CC1CCCC1	ZINC22_585096683	354.468	AFMBILNNZGDLSH-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081099
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O=C(CS(=O)(=O)c1nnc2n1CCCCC2)NC1CCCCCC1	MCULE-8567659634,PC-id_136577014,EMOLS-id_111004215,ZINC22_408178479	354.468	YDWPWUOZDKDRFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081102
O=C(N1CCCc2c(C1)cnn2C)NCC1(CCCC1)S(=O)(=O)C	EMOLS-id_101698109	354.468	FEQVAUVZPMBOHL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081103
S(c1n2CCCCCc2nn1)CC(=O)NC(CC(C)C)C(=O)OC	PC-id_78679740	354.468	OSHSUJYBOWMGOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081104
S(c1n2CCCCCc2nn1)CC(=O)NC(C(CC)C)C(=O)OC	PC-id_78679746	354.468	SKQJNQQDUWFGSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081105
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](CC(C)C)C(=O)OC	PC-id_8379396	354.468	OSHSUJYBOWMGOW-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081106
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](CC(C)C)C(=O)OC	PC-id_8379400	354.468	OSHSUJYBOWMGOW-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081107
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H]([C@@H](CC)C)C(=O)OC	PC-id_8379416	354.468	SKQJNQQDUWFGSF-RISCZKNCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081108
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H]([C@H](CC)C)C(=O)OC	PC-id_8379419	354.468	SKQJNQQDUWFGSF-FZMZJTMJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081109
S(c1n2CCCCCc2nn1)CC(=O)N[C@H]([C@@H](CC)C)C(=O)OC	PC-id_8379422	354.468	SKQJNQQDUWFGSF-BXUZGUMPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081110
S(c1n2CCCCCc2nn1)CC(=O)N[C@H]([C@H](CC)C)C(=O)OC	PC-id_8379425	354.468	SKQJNQQDUWFGSF-SMDDNHRTSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081111
c1ccc(COC[C@H]2CN(Cc3cccs3)Cc3ccnn3C2)nc1	ZINC22_96059239,PC-id_97381892	354.469	BLHIKDRFULQFCQ-INIZCTEOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081112
c1ccc(COC[C@@H]2CN(Cc3cccs3)Cc3ccnn3C2)nc1	ZINC22_96059240,PC-id_97381893	354.469	BLHIKDRFULQFCQ-MRXNPFEDSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081113
c1ccc(COC[C@@H]2CN(Cc3cccs3)Cc3cncn3C2)nc1	PC-id_97484313,ZINC22_96217255	354.469	ZMIAVPRPQLINDA-MRXNPFEDSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081114
c1ccc(COC[C@H]2CN(Cc3cccs3)Cc3cncn3C2)nc1	ZINC22_96217253,PC-id_97484311	354.469	ZMIAVPRPQLINDA-INIZCTEOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081115
c1ccc(COC[C@H]2CN(Cc3cccs3)Cc3nccn3C2)nc1	ZINC22_96059157,PC-id_97381810	354.469	LSADPNAHFJSGIG-INIZCTEOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081116
c1ccc(COC[C@@H]2CN(Cc3cccs3)Cc3nccn3C2)nc1	ZINC22_96059158,PC-id_97381811	354.469	LSADPNAHFJSGIG-MRXNPFEDSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081117
c1ccc(COC[C@H]2CN(Cc3ccsc3)Cc3ccnn3C2)nc1	PC-id_97381894,ZINC22_96059241	354.469	UGWVQKUQSDIIFW-KRWDZBQOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081118
c1ccc(COC[C@@H]2CN(Cc3ccsc3)Cc3ccnn3C2)nc1	ZINC22_96059242,PC-id_97381895	354.469	UGWVQKUQSDIIFW-QGZVFWFLSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081119
c1ccc(COC[C@@H]2CN(Cc3ccsc3)Cc3cncn3C2)nc1	PC-id_97484684,ZINC22_96217630	354.469	GRFLHVUQAFRRPZ-QGZVFWFLSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081120
c1ccc(COC[C@H]2CN(Cc3ccsc3)Cc3cncn3C2)nc1	ZINC22_96217628,PC-id_97484682	354.469	GRFLHVUQAFRRPZ-KRWDZBQOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081121
c1ccc(COC[C@H]2CN(Cc3ccsc3)Cc3nccn3C2)nc1	PC-id_97381812,ZINC22_96059159	354.469	IKBWSLHLRNVBCH-KRWDZBQOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081122
c1ccc(COC[C@@H]2CN(Cc3ccsc3)Cc3nccn3C2)nc1	PC-id_97381813,ZINC22_96059160	354.469	IKBWSLHLRNVBCH-QGZVFWFLSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081123
c1cncc(COC[C@H]2CN(Cc3cccs3)Cc3ccnn3C2)c1	PC-id_97381884,ZINC22_96059231	354.469	JKQKHYZPMGCTID-KRWDZBQOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081124
c1cncc(COC[C@@H]2CN(Cc3cccs3)Cc3ccnn3C2)c1	PC-id_97381885,ZINC22_96059232	354.469	JKQKHYZPMGCTID-QGZVFWFLSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081125
c1cncc(COC[C@H]2CN(Cc3cccs3)Cc3nccn3C2)c1	PC-id_97381790,ZINC22_96059137	354.469	WBTWTOAYLVIEAH-KRWDZBQOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081126
c1cncc(COC[C@@H]2CN(Cc3cccs3)Cc3nccn3C2)c1	ZINC22_96059138,PC-id_97381791	354.469	WBTWTOAYLVIEAH-QGZVFWFLSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081127
c1cncc(COC[C@H]2CN(Cc3ccsc3)Cc3ccnn3C2)c1	PC-id_97381886,ZINC22_96059233	354.469	RBLGHSLNWDNXIY-SFHVURJKSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081128
c1cncc(COC[C@@H]2CN(Cc3ccsc3)Cc3ccnn3C2)c1	ZINC22_96059234,PC-id_97381887	354.469	RBLGHSLNWDNXIY-GOSISDBHSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081129
c1cncc(COC[C@@H]2CN(Cc3ccsc3)Cc3nccn3C2)c1	PC-id_97381795,ZINC22_96059142	354.469	BRBVTCWIPNVLQU-GOSISDBHSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081130
c1cncc(COC[C@H]2CN(Cc3ccsc3)Cc3nccn3C2)c1	ZINC22_96059141,PC-id_97381794	354.469	BRBVTCWIPNVLQU-SFHVURJKSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081131
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3c(C)scn3)C2)n1	EMOLS-id_55646918,PC-id_91775596,MCULE-5037112623	354.469	WIZPNZQNIIRZAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081132
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3scc(C)n3)C2)n1	PC-id_91794496,EMOLS-id_55702100,MCULE-7282935738	354.469	AIBQZGSQKKYLOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081133
c1(C(O)c2ccccc2)cc2n(CCCN(CCc3cscn3)C2)n1	MCULE-3203749076,EMOLS-id_55669461,PC-id_91783333	354.469	AHLFBWZPAYNFLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081134
Cc1c(cc(cc1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O)C	PC-id_135552909	354.469	NYNGBMQGPGIMDN-MSUUIHNZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081135
Cc1cccc(COC2CN(Cc3cccs3)Cc3ccnn3C2)n1	EMOLS-id_50007090	354.469	APTIPASRZPSGCJ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081136
Cc1cccc(CO[C@@H]2CN(Cc3cccs3)Cc3ccnn3C2)n1	ZINC22_247851602	354.469	APTIPASRZPSGCJ-GOSISDBHSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081137
Cc1cccc(CO[C@H]2CN(Cc3cccs3)Cc3ccnn3C2)n1	ZINC22_247851605	354.469	APTIPASRZPSGCJ-SFHVURJKSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081138
Cc1c(C(=O)NCCc2nnc3n2CCCCC3)sc2ccccc12	CoCoCo_4654942,MCULE-6248217000,PC-id_17531271,EMOLS-id_16768715,ZINC22_12798500	354.469	PUNVVXIMTFYMDG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081139
Cc1ccsc1CN1Cc2ccnn2C[C@H](OCc2cccnc2)C1	ZINC22_253599376	354.469	OYJFTYRYDMPUAD-GOSISDBHSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081140
Cc1ccsc1CN1Cc2ccnn2C[C@@H](OCc2cccnc2)C1	ZINC22_253599377	354.469	OYJFTYRYDMPUAD-SFHVURJKSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081141
Cc1ccsc1CN1Cc2ccnn2C[C@H](OCc2ccncc2)C1	ZINC22_253599899	354.469	WRQDZJZHUNOADA-GOSISDBHSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081142
Cc1ccsc1CN1Cc2ccnn2C[C@@H](OCc2ccncc2)C1	ZINC22_253599900	354.469	WRQDZJZHUNOADA-SFHVURJKSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081143
Cc1ccsc1CN1CC(Cn2nccc2C1)OCc1cccnc1	EMOLS-id_50007150	354.469	OYJFTYRYDMPUAD-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081144
Cc1ccsc1CN1CC(Cn2nccc2C1)OCc1ccncc1	EMOLS-id_50014428	354.469	WRQDZJZHUNOADA-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081145
Cc1csc(n1)CN1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_99994599	354.469	AIBQZGSQKKYLOR-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-081146
Cc1csc(n1)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_99994602	354.469	AIBQZGSQKKYLOR-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081147
Cc1ncsc1CN1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_248012811	354.469	GRKLSJHFZVPTLD-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081148
Cc1ncsc1CN1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_248012816	354.469	GRKLSJHFZVPTLD-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081149
Cc1ncsc1CN1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_248001522	354.469	CCAQIWRKJVKJJX-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081150
Cc1ncsc1CN1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_248001524	354.469	CCAQIWRKJVKJJX-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081151
Cc1ncsc1CN1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_50008594	354.469	GRKLSJHFZVPTLD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081152
Cc1ncsc1CN1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_50008588	354.469	CCAQIWRKJVKJJX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081153
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc2n1CCCCC2	CoCoCo_3082028,ZINC22_8038032,PC-id_9168554	354.469	BJQFMTPTOADBFH-CYBMUJFWSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081154
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc2n1CCCCC2	CoCoCo_3082029,PC-id_9168559,ZINC22_8038036	354.469	BJQFMTPTOADBFH-ZDUSSCGKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081155
CC1=NN(c2ccc(C(=O)Nc3nc4c(s3)CCCCC4)cc2)CC1	MCULE-8602340805,ZINC22_48237968,EMOLS-id_31950621,PC-id_47034163,GD-id_ZINC48237968	354.469	IARBOQDFCWHYTQ-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-081156
CCc1cccc2c1[nH]cc2/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3081769,CoCoCo_3081772	354.469	HSVBZZIYMYBUJA-VBKFSLOCSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081157
CCc1cccc2c1[nH]cc2/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3081770,CoCoCo_3081771	354.469	HSVBZZIYMYBUJA-FOWTUZBSSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081158
CCc1cccc2c(C(=O)CSc3nnc4n3CCCCC4)c[nH]c12	ZINC22_6097614,CoCoCo_3081768,EMOLS-id_3675874,PC-id_7877007,MCULE-3716552312	354.469	LJJVCMDQKHJQCY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081159
C/C(=C(/c1c(C)[nH]c2c1cccc2)O)/Sc1nnc2n1CCCCC2	CoCoCo_3082032,CoCoCo_3082031	354.469	FQSVBCHSMRERAO-QGOAFFKASA-N	00000000100000100101000001100010000000000000000000000000	31-01-081160
C/C(=C(c1c(C)[nH]c2c1cccc2)/O)/Sc1nnc2n1CCCCC2	CoCoCo_3082033,CoCoCo_3082030	354.469	FQSVBCHSMRERAO-AQTBWJFISA-N	00000000100000100101000001100010000000000000000000000000	31-01-081161
CC(C)n1ncc2cc(NC(=O)c3cc4c(s3)CCCCC4)cnc12	EMOLS-id_11742602,CoCoCo_4291284,ZINC22_8127821,PC-id_9261922,MCULE-1593708842	354.469	ZWYBOHPNMSWJCW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081162
C#CCN(C(=O)Nc1nc2c(s1)CCCCC2)Cc1cccc(n1)C	PC-id_100907919	354.469	JGXGDJUFQHTYBJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081163
CC(C(=O)c1c(C)[nH]c2c1cccc2)Sc1nnc2n1CCCCC2	EMOLS-id_3660633,MCULE-1716707982,PC-id_16293275	354.469	BJQFMTPTOADBFH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081164
C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2c([nH]1)CCCNC2	ZINC22_2325820806	354.469	DGQAKQLANSPVOU-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081165
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2c([nH]1)CCCNC2	ZINC22_2325820807	354.469	DGQAKQLANSPVOU-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081166
C[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1nnc2ccccn12	CoCoCo_4256299,PC-id_40042480,ZINC22_32809138	354.469	NJEKZRGWUDRLCF-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081167
C[C@H](NC(=O)c1cc2c(s1)CCCCCC2)c1nnc2ccccn12	PC-id_40042482,CoCoCo_4256298,ZINC22_32809140	354.469	NJEKZRGWUDRLCF-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081168
Cn1cc([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cn1	PC-id_95047783,ZINC22_63938522	354.469	XTOLEDCEVGBJFX-LSDHHAIUSA-N	00100000100000000101100000000010000000000000000000000000	31-01-081169
Cn1cc([C@H]2C[C@@H]2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cn1	PC-id_95265350,ZINC22_69166177	354.469	XTOLEDCEVGBJFX-CABCVRRESA-N	00100000100000000101100000000010000000000000000000000000	31-01-081170
Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cn1	ZINC22_69166174,PC-id_95265349	354.469	XTOLEDCEVGBJFX-GJZGRUSLSA-N	00100000100000000101100000000010000000000000000000000000	31-01-081171
Cn1cc([C@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cn1	ZINC22_69166179,PC-id_95265351	354.469	XTOLEDCEVGBJFX-HUUCEWRRSA-N	00100000100000000101100000000010000000000000000000000000	31-01-081172
C(OCc1ccccn1)C1CN(Cc2cccs2)Cc2ccnn2C1	EMOLS-id_46148589	354.469	BLHIKDRFULQFCQ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081173
C(OCc1ccccn1)C1CN(Cc2cccs2)Cc2cncn2C1	EMOLS-id_49235909	354.469	ZMIAVPRPQLINDA-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081174
C(OCc1ccccn1)C1CN(Cc2cccs2)Cc2nccn2C1	EMOLS-id_46148507	354.469	LSADPNAHFJSGIG-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081175
C(OCc1ccccn1)C1CN(Cc2ccsc2)Cc2ccnn2C1	EMOLS-id_46148591	354.469	UGWVQKUQSDIIFW-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081176
C(OCc1ccccn1)C1CN(Cc2ccsc2)Cc2cncn2C1	EMOLS-id_49236215	354.469	GRFLHVUQAFRRPZ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081177
C(OCc1ccccn1)C1CN(Cc2ccsc2)Cc2nccn2C1	PC-id_118741038,EMOLS-id_46148509	354.469	IKBWSLHLRNVBCH-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081178
C(OCc1cccnc1)C1CN(Cc2cccs2)Cc2ccnn2C1	EMOLS-id_46148581	354.469	JKQKHYZPMGCTID-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081179
C(OCc1cccnc1)C1CN(Cc2cccs2)Cc2nccn2C1	EMOLS-id_46148487	354.469	WBTWTOAYLVIEAH-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081180
C(OCc1cccnc1)C1CN(Cc2ccsc2)Cc2ccnn2C1	PC-id_118739230,EMOLS-id_46148583	354.469	RBLGHSLNWDNXIY-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081181
C(OCc1cccnc1)C1CN(Cc2ccsc2)Cc2nccn2C1	EMOLS-id_46148491	354.469	BRBVTCWIPNVLQU-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081182
n12CCCNCc1cc(CCC(=O)NCc1ccc3c(ccs3)c1)n2	EMOLS-id_43089943,PC-id_70724146,ZINC22_72417809,MCULE-2700085873	354.469	OHVGKJSEJQHWMZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081183
n1c(CNC(=O)CCc2sc3c(cccc3)n2)c2c(CCCCC2)[nH]1	MCULE-8875169253,ZINC22_670441804,EMOLS-id_222759068	354.469	VHNZZCXRLJANJF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081184
N#Cc1c(NC(=O)C2CC2c2cnn(c2)C)sc2c1CCCCCC2	EMOLS-id_45643785,PC-id_71935708,MCULE-9559739930	354.469	XTOLEDCEVGBJFX-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-081185
N#Cc1c(NC(=O)c2cc3n(n2)CCCC3)sc2c1CCCCCC2	EMOLS-id_101599923	354.469	BOBSZSHEGQKNOL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-081186
N#Cc1c(NC(=O)c2cc(n(n2)C)C2CC2)sc2c1CCCCCC2	EMOLS-id_99656800	354.469	OCXPGSGFLQUMMG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-081187
N#Cc1c(NC(=O)Cn2cnc3c2CCCC3)sc2c1CCCCC2	EMOLS-id_101335465	354.469	XNEFFVBFPUEWSD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-081188
N#Cc1c(sc2c1CCCCCC2)NC(=O)c1cn(nc1C1CC1)C	EMOLS-id_99769040	354.469	LKRQILWFNZZTDP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-081189
N#CC(c1nnc2n1CCCCC2)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98138335	354.469	GJAPBRMRSMKHNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081190
O=C(c1n[nH]c2c1CCCCCC2)N1CCCN(CC1)c1cccc[nH+]1	PC-id_51590823,GD-id_ZINC19402094	354.469	GKEMZNYAQXAGRQ-UHFFFAOYSA-O	00000000100000101101100000000010000000000000000000000000	31-01-081191
O=C(c1sc2c(c1)CCCCCC2)NC(c1nnc2n1cccc2)C	MCULE-9674130091,PC-id_45857396,EMOLS-id_25641556	354.469	NJEKZRGWUDRLCF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081192
O[C@H](c1nn2c(c1)CN(CCC2)Cc1ncsc1C)c1ccccc1	PC-id_99974410	354.469	WIZPNZQNIIRZAE-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-081193
O[C@@H](c1nn2c(c1)CN(CCC2)Cc1ncsc1C)c1ccccc1	PC-id_99974411	354.469	WIZPNZQNIIRZAE-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081194
O[C@@H](c1nn2c(c1)CN(CCC2)CCc1cscn1)c1ccccc1	PC-id_99979652	354.469	AHLFBWZPAYNFLK-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081195
O[C@H](c1nn2c(c1)CN(CCC2)CCc1cscn1)c1ccccc1	PC-id_99979658	354.469	AHLFBWZPAYNFLK-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-081196
O=C(N1CCC=C(C1)c1ccncc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98596399	354.469	UZYSBLRDTUGANH-UHFFFAOYSA-N	00000000100011101101100000000010000000000000000000000000	31-01-081197
O=C(Nc1nc2c(s1)CCCCC2)NCCc1c[nH]c2c1cccc2	PC-id_112825090	354.469	KNHKBXPSCSJPHP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081198
O=C(NCCc1nnc2ccccn12)c1cc2c(s1)CCCCCC2	ZINC22_14111946,EMOLS-id_13466449,CoCoCo_4007874,PC-id_17445435,MCULE-6928924089	354.469	GGHXTUBLQCFXCO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081199
s1c2CCCCCCc2cc1C(=O)Nc1cc2c(n(nc2C)C)nc1	PC-id_55516093	354.469	LELYEEOTRHPXBS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081200
S(c1n2CCCCCc2nn1)Cc1oc(c2ccc(CC)cc2)cn1	PC-id_52163522	354.469	LWBGIUQQOLBOIN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081201
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1cc(c(cc1)C)C	PC-id_84836686	354.469	ZYCIQYSHYLRPAZ-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-081202
S(CC(=O)/C(=C
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c1cnc(NCC[C@H]2CN(Cc3cccs3)Cc3ccnn3C2)nc1	ZINC22_306136279	354.472	POOJYURJFMITIM-HNNXBMFYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-081204
c1cnc(NCC[C@@H]2CN(Cc3cccs3)Cc3ccnn3C2)nc1	ZINC22_306136280	354.472	POOJYURJFMITIM-OAHLLOKOSA-N	00000000100100100101000000000010000000000000000000000000	31-01-081205
Cc1ccc(CSc2ncn(Cc3nnc4n3CCCCC4)n2)cc1	EMOLS-id_324075033,MCULE-4550043547,PC-id_146091155,ZINC22_579666997	354.472	CXTYCXOMSZGPBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081206
Cc1ncsc1CN1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_306124174	354.472	BIGFJDWVCHTPHU-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081207
Cc1ncsc1CN1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_306124175	354.472	BIGFJDWVCHTPHU-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081208
Cc1ncsc1CN1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_50376769	354.472	BIGFJDWVCHTPHU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081209
C(CC1CN(Cc2cccs2)Cc2ccnn2C1)Nc1ncccn1	EMOLS-id_50376407	354.472	POOJYURJFMITIM-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-081210
CC(c1ccc2-c1ccccc2)NCCCc1ccn(c1)c1ccccc1	SCHEMBL3854294,PC-id_68814682	354.487	RSXDBQBQMWRWDU-UHFFFAOYSA-N	00000010110000110110100000000010000000000000000000000000	31-01-081211
s1c2c(CCCCC2)c(c1NC(=S)N1CCOCC1)C(=O)OC	PC-id_17299233	354.487	WYPYRUZCKAMPNU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081212
C12([C@H]3C[C@H](CNC(=O)c4cc5n(CCCN(C(C)C)C5)n4)[C@H]1C=C3)CC2	PC-id_50957934,EMOLS-id_232795623,ZINC22_105756048,MCULE-4881123609	354.489	MOKFODIIPOTEAU-JFIYKMOQSA-N	00100011100000000101000000000010000000000000000000000000	31-01-081213
c12CN(CCCn1nc(CNC(=O)Cc1ccccc1C)c2)CC(C)C	ZINC22_82099622,MCULE-2053531347,PC-id_70726318,EMOLS-id_44431035	354.489	RUZYCRAWFNCKMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081214
c1ccc(NCC[C@H]2CN(CC3CCOCC3)Cc3cccn3C2)nc1	ZINC22_585095307	354.489	ORHPRBKXWFQEQX-IBGZPJMESA-N	00000000100010101101000000000010000000000000000000000000	31-01-081215
c1ccc(NCC[C@@H]2CN(CC3CCOCC3)Cc3cccn3C2)nc1	ZINC22_585095308	354.489	ORHPRBKXWFQEQX-LJQANCHMSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081216
c1cncc(COC[C@H]2CN(CC3CCCCC3)Cc3ccnn3C2)c1	ZINC22_2055713221	354.489	IGBUGAWMMJXTER-FQEVSTJZSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081217
c1cncc(COC[C@@H]2CN(CC3CCCCC3)Cc3ccnn3C2)c1	ZINC22_2055713222	354.489	IGBUGAWMMJXTER-HXUWFJFHSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081218
c1(C(=O)NC(C)c2ccc(c(C)c2)C)cc2n(CCCN(C(C)C)C2)n1	EMOLS-id_32410786,MCULE-4132699361,PC-id_50970655	354.489	QDIXWQDTFCXZQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081219
CC1(C)Cc2c(O1)ccc(c2)CNCCCc1nnc2n1CCCCC2	PC-id_119122033	354.489	BKFYYHUAGPKKGY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081220
Cc1cccc(c1)C(C(C)(C)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101722686	354.489	WGKLLRYBHZMXLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081221
Cc1cc(ccc1)CN1CCc2ncc(n2CC1)C(=O)NCCC(C)C	PC-id_134807423	354.489	JNPDRBDNRNUHIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081222
Cc1ccccc1CN1CCc2ncc(n2CC1)C(=O)NCCC(C)C	PC-id_134807950	354.489	YMTSYIWSJULSPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081223
Cc1ccc(C(C)(C)CNC(=O)N2CCCc3c(cnn3C)C2)c(C)c1	MCULE-6184421844,ZINC22_334063339,EMOLS-id_101698151	354.489	ADILMAVICJVRGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081224
Cc1ccc([C@@H](C)NC(=O)c2cc3n(n2)CCCN(C(C)C)C3)cc1C	ZINC22_65431049,PC-id_95132365	354.489	QDIXWQDTFCXZQN-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081225
Cc1ccc([C@H](C)NC(=O)c2cc3n(n2)CCCN(C(C)C)C3)cc1C	ZINC22_65431053,PC-id_95132366	354.489	QDIXWQDTFCXZQN-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081226
CC(c1ccc(cc1)C(C(C)C)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319974618,MCULE-1257681306	354.489	OVOVWDKXQVRIOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081227
CCc1ccc(cc1)C(=O)N1CCCn2cnc(CN(C)C(C)C)c2C1	PC-id_97519307,EMOLS-id_44369992,ZINC22_96259223	354.489	FYWQORFNOXFXHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081228
C(CC1CN(CC2CCOCC2)Cc2cccn2C1)Nc1ccccn1	EMOLS-id_313836833	354.489	ORHPRBKXWFQEQX-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081229
CC(CC(c1ccccc1)NC(=O)CN1CCCc2c(C1)cnn2C)C	EMOLS-id_318172753	354.489	YXXNIXNFKBXVDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081230
CC(C)N1CCCn2nc(C(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C34CC3)cc2C1	ZINC22_209954454	354.489	MOKFODIIPOTEAU-BQFCYCMXSA-N	00100011100000000101000000000010000000000000000000000000	31-01-081231
CC(C)N(C)Cc1ncn2c1CN(C(=O)CCc1ccccc1)CCC2	ZINC22_96259235,PC-id_97519319,EMOLS-id_44370016	354.489	DDMUMTYJJRUQMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081232
CCN(c1ccc(c(c1)C)NC(=O)Cn1cc2c(n1)CCCCC2)CC	CoCoCo_2192306,PC-id_20892469	354.489	NKSZQPWXMZJBOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081233
CN(C(C)C)Cc1ncn2c1CN(CCC2)C(=O)Cc1ccc(cc1)C	PC-id_97519306	354.489	FTIFKJRZOQTVTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081234
C(OCc1cccnc1)C1CN(CC2CCCCC2)Cc2ccnn2C1	EMOLS-id_313724122	354.489	IGBUGAWMMJXTER-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081235
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(cc1C(C)C)C(C)C	EMOLS-id_101943135	354.489	PMBFNFBOMBKLFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081236
O=C(N1CCCc2c(C1)cnn2C)Nc1c(cccc1C(C)C)C(C)C	EMOLS-id_101956628	354.489	WMIAITIGCYIKCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081237
O=C(N1CCCc2c(C1)cnn2C)NC(C(C)(C)C)c1ccccc1C	EMOLS-id_101724507	354.489	SSCAJKCIBMHWRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081238
O=C(NCC1C2C3(C(C1)C=C2)CC3)c1nn2c(c1)CN(CCC2)C(C)C	PC-id_75590033	354.489	MOKFODIIPOTEAU-UHFFFAOYSA-N	00100011100000000101000000000010000000000000000000000000	31-01-081239
O=C(NCCc1n2CCCCCc2nn1)Cc1ccc(CC(C)C)cc1	PC-id_55534605	354.489	QRHIFWRKJGZHJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081240
s1c2CCCCCc2cc1C(=O)Nc1scc(n1)c1ccccc1	PC-id_7946018	354.489	NGSIMNOUTQWEAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081241
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc(C)s1	EMOLS-id_44426093,PC-id_70712115,MCULE-7226772196,ZINC22_82092056	354.491	BWCIWXRERKUQCB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-081242
c12SC/C(=NNC(=O)c3ccccc3)/CSc1sc(=O)s2	TOSLab_801,EMOLS-id_8325799,PC-id_4563986,MCULE-3867136311	354.491	ZVZDQQZILVSVPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081243
Cc1ccc(CN2Cc3ccnn3C[C@H](CNS(=O)(=O)C)C2)s1	ZINC22_248087886	354.491	KRQKZUHVWWRKIO-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-081244
Cc1ccc(CN2Cc3ccnn3C[C@@H](CNS(=O)(=O)C)C2)s1	ZINC22_248087891	354.491	KRQKZUHVWWRKIO-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-081245
Cc1ccc(CN2CC(CNS(=O)(=O)C)Cn3nccc3C2)s1	EMOLS-id_50373721	354.491	KRQKZUHVWWRKIO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-081246
CCn1cc(nc1C)S(=O)(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110633181	354.491	QZSBGGYQWBHRSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081247
CC(n1cnc(c1)S(=O)(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_110300126	354.491	ZMQAIBRMESEKHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081248
CCn1nc(c(c1C)S(=O)(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_111847630	354.491	HYQRZZYIUMCHND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081249
CC(n1ncc(c1)S(=O)(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_111847930	354.491	ZLNNKYVZAIEIJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081250
Cn1nc(c(c1C)S(=O)(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_110658748	354.491	BSELKHQIZJXTIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081251
c1(nc(C)cc(C)n1)N1CCC(CC1)NCc1c2CCCCCc2[nH]n1	MCULE-8800474080,EMOLS-id_46644280,PC-id_72925997,ZINC22_95386632	354.492	XRSWSXBRKDEQFV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-081252
CCc1ccc(cc1)CN(C(=NC)NCc1nnc2n1CCCCC2)C	PC-id_111283087	354.492	HGPLZIXNGFILJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081253
CCc1cccc(c1NC(=NCCc1nnc2n1CCCCC2)N)CC	PC-id_111039155	354.492	GCBFALMWBMTZKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081254
CCC(c1ccc(cc1)NC(=NCCc1nnc2n1CCCCC2)N)C	PC-id_111039121	354.492	OSHLXXZKRFUQCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081255
CCCN1CCCn2c(C1)cc(n2)CNc1nc(C)cc(n1)C1CCC1	PC-id_70706167,MCULE-4885635035,EMOLS-id_44423935	354.492	WBZFUCLCJKQPQA-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-081256
CCCN1CCCn2c(C1)cc(n2)CNc1nccc(n1)C1CCCC1	MCULE-2345494907,PC-id_70739157,EMOLS-id_44435591	354.492	FGAFROBGCZZIOO-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-081257
CCNC(=NCc1ccccc1CC)NCc1nnc2n1CCCCC2	PC-id_111635826	354.492	XIMLBXBIIBORKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081258
CCNC(=NCc1ccc(cc1C)C)NCc1nnc2n1CCCCC2	PC-id_111937891	354.492	ADGIWQDRSIJYNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081259
CCNC(=NCc1ccc(cc1)C)NCCc1nnc2n1CCCCC2	PC-id_111245261	354.492	ZAPKGBBRZAREKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081260
CCNC(=NCc1ccccc1C)NCCc1nnc2n1CCCCC2	PC-id_111359859	354.492	GWIPLKIFKFRFNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081261
CCNC(=NCc1cccc(c1)C)NCCc1nnc2n1CCCCC2	PC-id_111899697	354.492	IWUQROIDLSDULX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081262
CCNC(=NCc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_110953472	354.492	CVAYUZLTNNMLSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081263
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccccc1C)C	PC-id_111287115	354.492	GQIIVMZCMOSHPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081264
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)C)C	PC-id_111289433	354.492	HICTZIBMGFJLHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081265
CCNC(=NCc1nnc2n1CCCCC2)NCCCc1ccccc1	PC-id_111199374	354.492	JLXQVSVTTFIYIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081266
CCNC(=NCCc1nnc2n1CCCCC2)NC(c1ccccc1)C	PC-id_110949998	354.492	FRQXIIZKTVHMCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081267
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccccc1	PC-id_111134767	354.492	PAVZUOLDGBEDNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081268
CN=C(NCc1ccccc1CC)NCCc1nnc2n1CCCCC2	PC-id_111636248	354.492	HMUMKIYWKQSCAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081269
CN=C(NCc1ccc(cc1C)C)NCCc1nnc2n1CCCCC2	PC-id_111937969	354.492	FDMCNODTWVEXBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081270
CN=C(NC(c1ccccc1)C)NCCCc1nnc2n1CCCCC2	PC-id_110948918	354.492	ZVQKXLSRRLYEOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081271
CN=C(N(Cc1ccccc1)C)NCCCc1nnc2n1CCCCC2	PC-id_110951138	354.492	ZXBKJPYJFNXSKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081272
CN=C(NCc1ccc(cc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111245413	354.492	BSMGQLFLBZALNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081273
CN=C(NCc1ccccc1C)NCCCc1nnc2n1CCCCC2	PC-id_111360753	354.492	VYGPEFGOFIZLLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081274
CN=C(NCc1cccc(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_111900137	354.492	ISGSITOZXIKYQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081275
CN(C(=NCc1ccccc1)NCCCc1nnc2n1CCCCC2)C	PC-id_111093797	354.492	RAZCKRPZLCJRHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081276
CN=C(NCc1nnc2n1CCCCC2)NCC(c1ccc(cc1)C)C	PC-id_111621688	354.492	WAMUVKZPPPRDNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081277
CN=C(NCc1nnc2n1CCCCC2)NCC(c1cccc(c1)C)C	PC-id_111659048	354.492	XCBFGNILNZPWDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081278
CN=C(NCc1nnc2n1CCCCC2)NCCc1cc(C)cc(c1)C	PC-id_111648810	354.492	MSEBSHIAPXPVQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081279
CN=C(NCC(c1ccccc1)(C)C)NCc1nnc2n1CCCCC2	PC-id_111947933	354.492	SYQSBIKJTVBOEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081280
CN=C(NCC(c1ccccc1)C)NCCc1nnc2n1CCCCC2	PC-id_111342591	354.492	PVMOIBJCPPNWII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081281
CN=C(NCCc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111135253	354.492	HOCLCYQLGGBGAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081282
CN=C(NCCc1nnc2n1CCCCC2)NCCCc1ccccc1	PC-id_111198640	354.492	KQWTYMCRVATMQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081283
CN=C(NC(CCc1ccccc1)C)NCc1nnc2n1CCCCC2	PC-id_111172459	354.492	QHUZXJVAYDNMIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081284
N1CCCC(CC1)N(Cc1nnc2n1CCCCC2)Cc1ccccn1	EMOLS-id_318063277	354.492	HFNDRUULPBRWIY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081285
NC(=NCCCc1nnc2n1CCCCC2)Nc1cccc(c1)C(C)C	PC-id_111093761	354.492	DVKRJYFPFNSKAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081286
CCCCCCCCCCCC(=O)OC1COc2c(OC1)csc2	PC-id_139221115	354.504	SESRCCHARVRHEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081287
CCCCCCCCCCC(=O)OCC1COc2c(OC1)csc2	PC-id_102435523,SCHEMBL17626458	354.504	NGAJSZRZFCJJRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081288
S(C(C1C=CC=CC=C1)c1c2-c(c(cc2)C)cccc1)c1ccccc1	PC-id_15688039	354.507	FXTFQMJAEJUMJL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-081289
c1(cc2c(CCCCC2)s1)C(=O)N1CCCC(C1)Nc1ccccc1	PC-id_45214765,EMOLS-id_20592397,MCULE-4865542528	354.509	YJDIYAJPSAYPNC-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-081290
c1(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c(CCCCC2)n1	MCULE-7054230587	354.509	SOMLBEHLUVSJOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081291
CC(C)(C)c1ccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)cc1	EMOLS-id_334602869	354.509	SOMLBEHLUVSJOW-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081292
NC[C@@]1(C[C@H](C1)NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	MCULE-1198935743	354.509	ZPWRCPYYYKJCRQ-UEDWGHLCSA-N	00001000100000110100100000000010000000000000000000000000	31-01-081293
NC[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)c1cc2c(s1)CCCCC2	PC-id_120743838	354.509	AFGYJYXIAMNGEJ-MSOLQXFVSA-N	00000010100000110100100000000010000000000000000000000000	31-01-081294
O=C(c1cc2c(s1)CCCCC2)N1CCC[C@@H](Nc2ccccc2)C1	ZINC22_12320544,PC-id_42533324,CoCoCo_1406897	354.509	YJDIYAJPSAYPNC-GOSISDBHSA-N	00000000100010110100000000000010000000000000000000000000	31-01-081295
O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](Nc2ccccc2)C1	ZINC22_12320546,PC-id_42533327,CoCoCo_1406898	354.509	YJDIYAJPSAYPNC-SFHVURJKSA-N	00000000100010110100000000000010000000000000000000000000	31-01-081296
O=C(c1cc2c(s1)CCCCC2)N1CCN(Cc2ccccc2)CC1	EMOLS-id_43819157,CoCoCo_3241713,ZINC22_28086544,MCULE-1151894078,PC-id_9041409	354.509	PGGJBTQNDGYRKF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081297
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)c1cc(ccc1)C	PC-id_18207738	354.509	RNRSKRNFNKFUQP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081298
s1c2CCCCCc2cc1C(=O)Nc1c(cc(N2CCCC2)cc1)C	PC-id_18284853	354.509	ZFZZMJBHVLQBIL-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-081299
s1c2CCCCCc2cc1C(=O)Nc1ccc(N2CCCCC2)cc1	PC-id_7922517	354.509	XDWVZUDAOLDRCN-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-081300
s1c2c(CCCCC2)cc1C(=O)NC1CCN(C1)Cc1ccccc1	PC-id_18156334	354.509	LGUOKJYWVSKXJT-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-081301
s1c2c(CCCCCC2)cc1C(=O)N1CC(Nc2ccccc2)CC1	PC-id_56433722	354.509	SBLYHYBVRRVCPM-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-081302
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1ccccc1	PC-id_8713480	354.509	DBUXFPBCCMHLIK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081303
C1NONCCCC/C=CCCCCCSc2n(CCC1)nnn2	PC-id_121367148,SCHEMBL17787846	354.514	SHBMBFPPCINYCV-UPHRSURJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-081305
O(C(=O)CCCCCCCCCCc1c2-c(c(cc(c1)C)C)ccc2)C	PC-id_85603912	354.526	JDVOVEFASVFYPZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-081306
CN(Cc1cc2c(o1)CN(CCC2)CCCCCCc1ccccc1)C	SCHEMBL8435095,PC-id_19599959	354.529	DCOQGNIQGKDJQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081307
O=C(NCCCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)NCCCC	PC-id_85664786	354.529	AFOHQYDVLTVPMP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-081308
s1c2c(CCCCC2)c(c1NC(=O)C(SCCCC)C)C(=O)N	PC-id_60546535	354.531	BTDXKJCOUSURRH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081309
s1c2c(CCCCC2)c(c1NC(=S)NC(CC)(C)C)C(=O)OC	PC-id_17262759	354.531	AVTCIXYAUNXFKK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081310
s1c2c(CCCCC2)c(c1NC(=S)NC(CCC)C)C(=O)OC	PC-id_17299238	354.531	BVSHAWYPDZYEMY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081311
s1c2c(CCCCC2)c(c1NC(=S)NCCCCC)C(=O)OC	PC-id_19650743	354.531	XUDWSHBUQOTICU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081312
s1c2c(CCCCC2)c(c1NC(=S)NCCC(C)C)C(=O)OC	PC-id_19652207	354.531	GELMMZSPTFNFNF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081313
s1c2c(CCCCC2)c(c1NC(=S)NC(CC)CC)C(=O)OC	PC-id_19652909	354.531	XJMKVZOZCKOKLL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081314
s1c2c(CCCCC2)c(c1NC(=S)N(CC)CC)C(=O)OCC	PC-id_10736877	354.531	YTODZOZKBIDGAZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081315
s1c2c(CCCCC2)c(c1NC(=S)NCCCC)C(=O)OCC	PC-id_17270199	354.531	WJJBBKSHIMKLJS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081316
s1c2c(CCCCC2)c(c1NC(=S)NCC(C)C)C(=O)OCC	PC-id_19650651	354.531	OQFLLGJBURWIAD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081317
s1c2c(CCCCC2)c(c1NC(=S)NC(C)(C)C)C(=O)OCC	PC-id_19651927	354.531	CBPCAIWPMDKOTG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081318
s1c2c(CCCCC2)c(c1NC(=S)NC(CC)C)C(=O)OCC	PC-id_19652092	354.531	ADLVFECRPNKDPB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081319
s1c2c(CCCCCC2)c(c1NC(=S)NCC(C)C)C(=O)OC	PC-id_19650644	354.531	WVKCEOPNUUBPMA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081320
s1c2c(CCCCCC2)c(c1NC(=S)NCCCC)C(=O)OC	PC-id_19650669	354.531	UXIHSHRQHCQTCA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081321
s1c2c(CCCCCC2)c(c1NC(=S)NC(C)(C)C)C(=O)OC	PC-id_19651921	354.531	VZKGBJZJXNJWBH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081322
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC)C)C(=O)OC	PC-id_19652087	354.531	PDPGGQVUTSIDSO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081323
s1c2c(CCCCCC2)c(c1NC(=S)N(CC)CC)C(=O)OC	PC-id_19652969	354.531	LITARYUTJBRGHM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081324
s1c2c(CCCCCC2)c(c1NC(=S)NCCC)C(=O)OCC	PC-id_19650586	354.531	GTGWDWASBBSFAH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081325
s1c2c(CCCCCC2)c(c1NC(=S)NC(C)C)C(=O)OCC	PC-id_19650625	354.531	NSMXYJDOTFGZTJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081326
C=Cc1sc2c(c1)C(=N)C(CCS2)CC(=C)Nc1ccc(cc1)C	PC-id_141848715	354.532	ZWOJIEOSLBRSCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081327
s1c2CCCCCc2cc1C(=O)NNC(=S)NCCCN(C)C	PC-id_8468844	354.534	SETBLTQJYPEPND-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081328
s1c2CCCCCCc2cc1C(=O)NNC(=S)NCCN(C)C	PC-id_8788573	354.534	MJWGOPYPRXFMBJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081329
Cc1ccc(cc1)S(=O)(=O)c1c2-c(cc1[Si](C)(C)C)ccccc2	PC-id_102577984	354.538	XULXDLICENUECR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-081330
CCO[Si](CCCn1cc2nc1CCCCCC2)(OCC)OCC	PC-id_141226217	354.56	ZRCXSZYCFSJLHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081331
O(CCCCCCCCCCCC)c1c2-c(cc(C(C)C)cc1)ccc2	PC-id_56607428	354.569	IXHBDRQDVJVUQV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-081332
CCCCCCCCCN(CC(=C)C)CCc1c[nH]c2=CC=CCC=c12	PC-id_143411635	354.572	NPYHOLUBYGHIIP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-081333
Brc1ccc(c(c1)Cl)Cn1cc2c(c1)CCCCC2O	PC-id_116075737	354.669	SSIUBWGRNAVRTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081334
Brc1sc2SCCN(CCCCCl)C(=O)c2c1	SCHEMBL9041099,PC-id_21695287	354.714	YEUNUZJNBIBAQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081335
Cn1ncc2c1CCCN(C(=O)NCc1cc(F)c(Cl)cc1F)C2	MCULE-2951790283,EMOLS-id_101697965,ZINC22_334137016	354.782	ZDUDXMWNPZHHAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081336
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(ccc1Cl)C(F)F	EMOLS-id_101945385	354.782	OLVUVJCGYXHISA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081337
COc1ccc(cc1Cl)C(=O)c1c(C)c(c2-c1ccccc2)C(=O)O	PC-id_139771649	354.784	NYTLRQZFCOHMGD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-081338
Cc1c(ccc(c1)Cl)Nn1c2-c(ccccc2)c(c1=O)C=CC(=O)O	PC-id_87838040	354.787	RNCSMLGFNXASOM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-081339
Cc1c(ccc(c1)Cl)Nn1c2-c(ccccc2)c(c1=O)C(=C)C(=O)O	PC-id_87838041,SCHEMBL5458259	354.787	VFNDSMRXWXCZIO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-081340
OC(=O)/C=C/c1c2-c(n(c1=O)Nc1ccc(cc1C)Cl)ccccc2	SCHEMBL5458253	354.787	RNCSMLGFNXASOM-CSKARUKUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-081341
Clc1ccc(cc1)S(=O)(=O)NC(=O)N1CCCn2cncc2C1	MCULE-1188817204,ZINC22_72125695,EMOLS-id_43063380,PC-id_56883602	354.812	SXXWRDKXYDIESE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081342
Clc1ccc(nc1)S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_112056977	354.812	IWROQHRQIAXUSY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081343
Clc1cncc(c1)S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_112057065	354.812	PQYLIIXUTFFGRZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081344
O=C(COc1ccc(F)cc1Cl)Nc1nc2c(s1)CCCCC2	EMOLS-id_19929333,MCULE-8140634108,PC-id_24603989,CoCoCo_4546190,ZINC22_14554410	354.827	DJWGQZUEEAJSNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081345
Clc1cc(F)c(NC(=O)CSc2n3CCCCCc3nn2)cc1	PC-id_7877495	354.83	HQEHUJSGOMIWKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081346
Clc1cc(NC(=O)CSc2n3CCCCCc3nn2)ccc1F	PC-id_7877358	354.83	DAUVVBCOIYAAKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081347
Clc1cc(NC(=O)CSc2n3CCCCCc3nn2)c(F)cc1	PC-id_7876614	354.83	XOGYUFWBRYOQBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081348
Clc1c(NC(=O)CSc2n3CCCCCc3nn2)ccc(F)c1	PC-id_7877401	354.83	AZRLWUVANRTBRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081349
c1(C(=O)Nc2ccc(c(Cl)c2)n2cccc2)c2CCCCCc2[nH]n1	EMOLS-id_323254713,MCULE-7470123053	354.833	OKMUHWLBRJFQHJ-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-081350
Clc1ccc(Oc2cccc(CN3CCc4nncn4CC3)c2)cc1	PC-id_29085346,ZINC22_20598934,CoCoCo_1257443,MCULE-8808315985,EMOLS-id_20490417,CoCoCo_1257444	354.833	MFAATXUHCALPFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081351
Clc1ccccc1c1ccc(nn1)NCc1nnc2n1CCCCC2	EMOLS-id_316653826	354.837	PVMNBBQASYTBRF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081352
Clc1cccc(c1)c1ccnc(NCc2cc3CNCCCn3n2)n1	ZINC22_82137430,PC-id_70766544,EMOLS-id_44445113,MCULE-7308053960	354.837	HIGCJAROROJTKE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081353
Clc1ccc(s1)CCNC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_78882490,EMOLS-id_318424377	354.855	CYKHTIXASUANFA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-081354
Clc1c(sc2c1cccc2)C=C(c1n2CCCCCc2nn1)C#N	PC-id_78810332	354.856	BLUWAYKYKDUITJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081355
Clc1sc(C(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_16509501	354.871	SNOKVRUDKFOONX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-081356
CN(Cc1c(F)cccc1Cl)Cn1nc2n(c1=S)CCCCC2	ZINC22_57395312,EMOLS-id_25627963,CoCoCo_3449571,CoCoCo_3449570,MCULE-5890891539,PC-id_8227031	354.873	VVINDONPWHXDHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081357
Clc1ccc(s1)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ChEMBL-DNDi_CHEMBLF0806-0393,PC-id_3411859	354.875	KUTOPWAUDLIZTD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-081358
Clc1n2c(CN(CCC2)C)c(n1)C(=O)CC(C(C)(C)C)C(=O)NC	PC-id_76657163	354.875	PWJWKRPWFBKFOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081359
Clc1n2c(CN(CCC2)C)c(n1)C(=O)C[C@@H](C(C)(C)C)C(=O)NC	PC-id_58135573	354.875	PWJWKRPWFBKFOD-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081360
Clc1sc(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_9301172	354.875	BZRRJYIGWZWOEG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-081361
CSc1ncc(Cl)c(C(=O)Nc2nc3c(s2)CCCCC3)n1	PC-id_25553146,CoCoCo_4697230,ZINC22_12852588,MCULE-7056484582	354.878	JKTGBKIPYMNZBG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-081362
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(Cl)s1)C2	PC-id_100049636,ZINC22_219929457	354.898	XYENJSUDLRFONB-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-081363
CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(Cl)s1)C2	ZINC22_219929490,PC-id_100049637	354.898	XYENJSUDLRFONB-HNNXBMFYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-081364
CN(C)CC(O)c1cc2CN(Cc3ccc(Cl)s3)CCCn2n1	PC-id_91774871,MCULE-2649473834,EMOLS-id_55644884	354.898	XYENJSUDLRFONB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-081365
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CC(=NN4CC3)NC(=O)C	PC-id_154685703	355.147	YBSURQQRBXBCSG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081366
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=NC(=CN4CC3)NC(=O)C	PC-id_154685743	355.147	CTYRCWDKBPUJLZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081367
CCCCC1=C(N2CCCCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CN3CC	PC-id_152767901	355.203	RVPQXWLFIDZIEG-UHFFFAOYSA-M	00000000110000000100000000000010000000000000000000000000	31-01-081368
Cc1nn2CCC(C(=C)Nc2c1)NC(=O)c1nn(cn1)CC1CCCC1	PC-id_164036395	355.212	VMKPVBMQMRSMFK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081369
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(Cl)c(Cl)c1	ZINC22_11049122,MCULE-6059803991,PC-id_17513747,EMOLS-id_16716557,CoCoCo_4447310	355.219	UWFJUPKQPNVIAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081370
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cc(Cl)cc(Cl)c1	ZINC22_12997114,PC-id_25657767,CoCoCo_4406377,MCULE-7021755795,EMOLS-id_18911402	355.219	HLNUOMHLAZDIEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081371
NC1CCCCc2c1cn(c2)Cc1c(F)ccc(c1F)Br	PC-id_106265046	355.22	HXTNACKMYCTODE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081372
O=C(Nc1cc(Cl)c(c(c1)Cl)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102014317	355.222	FXKYXDISICWJAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081373
COC1=CC=CC(=C1)CC2=NC=C3N2CCCN(C3)CC4CCOCC4	PC-id_153067742	355.226	VKSKJHFRVDTPDF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081374
C=CC(=O)N(CC)CC(=O)N1CCCc2oc(Br)cc2C1	ZINC22_2325885888	355.227	CKJDFPFNLUFBSH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081375
BrC1=CN(C(=C)C=C1)/C=C(/c1c(=O)[nH]c2-c1ccccc2)C	SCHEMBL13077161	355.228	YDLUENGMEXPIAA-ZRDIBKRKSA-N	00000010100011001110000000000010000000000000000000000000	31-01-081376
CC(=CN1C=C(C=CC1=C)Br)c1c2-c(ccccc2)[nH]c1=O	PC-id_89013508	355.228	YDLUENGMEXPIAA-UHFFFAOYSA-N	00000010100011001110000000000010000000000000000000000000	31-01-081377
Brc1occ(C(=O)Nc2sc3CCCCCCc3n2)c1	PC-id_56021468	355.25	YYZZOTFDHSSAIP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-081378
O=C(C1CCn2c(CC1)nnc2)NCc1sccc1Br	EMOLS-id_319151387	355.253	ASCSIGZPEZMFNG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-081379
Brc1c(Sc2n3CCCCCc3nn2)nc(nc1)NC	PC-id_80883682	355.257	FONHSFYKJYUGHH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-081380
CNc1ncnc(c1Br)Sc1nnc2n1CCCCC2	PC-id_108369855	355.257	MOIAZJMVVVALCA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-081381
Brc1ccc(c(c1)C(c1cc2c(s1)CCCCC2)O)F	PC-id_115820701	355.265	MEHCWWPBRBSJFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081382
Brc1cccc(c1F)C(c1cc2c(s1)CCCCC2)O	PC-id_106648361	355.265	KTWXUAMSRIBGQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081383
Brc1cc(C(O)c2sc3c(CCCCC3)c2)ccc1F	PC-id_79747369	355.265	WMSCEWLJNRUKSW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081384
C/C=C(CC1(O)Cn2c(Br)ccc2C(=O)N[C@@]1(C)CC)/C	SCHEMBL18890274	355.27	LAMPPPMJBAQPFJ-QBGHHWRGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081385
O=C(C1(C)CC1Br)NCCCc1nnc2n1CCCCC2	EMOLS-id_278754691	355.273	OEUMYBMFNHATRC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-081386
c1(c2CCCCCc2sc1N)C(=O)Nc1ccc(cc1Cl)Cl	EMOLS-id_4033033,CoCoCo_6799936,MCULE-4081638352,TIMTEC40811,PC-id_3274164,ZINC22_6234893	355.282	AIILCKGPSCAERP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081387
c1(c2CCCCCc2sc1N)C(=O)Nc1c(Cl)ccc(Cl)c1	PC-id_4514007,CoCoCo_6799307,ZINC22_6861821,EMOLS-id_29550184,MCULE-4028276862,TIMTEC298717	355.282	LWYLJJWWXFUUIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081388
c1(NC(=O)Cc2ccc(c(Cl)c2)Cl)sc2c(CCCCC2)n1	EMOLS-id_334603632,MCULE-8134124010	355.282	KJBHKLMOGIDLCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081389
c1(NC(=O)Cc2cc(Cl)ccc2Cl)sc2c(CCCCC2)n1	EMOLS-id_334605424,MCULE-5169378890	355.282	HQOFIOVVXPULML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081390
Clc1ccc(CNC(=O)C2CCCCc3ncsc23)c(Cl)c1	BindingDB_PC-id_78318774,SCHEMBL15903941,BindingDB-id_412953,PC-id_78318774	355.282	UKDJFJRKJZQHKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081391
BrCCCCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_107907517	355.293	ALIBZKAFVFJYDO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081392
BrC(C(C)C)C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_43346545	355.293	KAEIYNYNFSTJOR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081393
CCn1ncc(c1C(c1cc2c(s1)CCCCC2)O)Br	PC-id_115834794	355.293	UTECHYWNZBZGET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081394
Brc1cc(sc1)CNC(c1n2CCCCCc2nn1)C	PC-id_43433185	355.296	SEOVCBYVUNSERG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-081395
Brc1scc(CNC(c2n3CCCCCc3nn2)C)c1	PC-id_43746961	355.296	LOWQKJPEHGPISB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-081396
Brc1sc(CNC(c2n3CCCCCc3nn2)C)cc1	PC-id_43433184	355.296	JBFUYSSBYXWJLZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-081397
CNC(c1c(Br)nnn1C)c1cc2c(s1)CCCCC2	PC-id_106464677	355.296	SOMDLLFARNYDFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081398
NNC(c1c(Br)cnn1C)c1cc2c(s1)CCCCC2	PC-id_105342073	355.296	UVJUTCWRZHXZGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081399
Brc1ccc(s1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_113656617	355.313	CTTRNAGWFBGOID-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-081400
Brc1csc(c1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_114969462	355.313	MDCASWPZGNDSNZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-081401
Brc1c(sc(c1)C)C(=O)c1sc2CCCCCc2c1	PC-id_65279369	355.313	VDDKRAMZARCURH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-081402
Brc1sc(c(C(=O)c2sc3CCCCCc3c2)c1)C	PC-id_65640462	355.313	JQQGSCFVIDFFHF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-081403
Brc1sc(C(=O)c2sc3CCCCCc3c2)cc1C	PC-id_79997222	355.313	AJJDIJYHFVDKPT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-081404
O=C(c1cc2c(s1)CCCCC2)Cc1sccc1Br	PC-id_114969782	355.313	LIRVJPJGEJVNRL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-081405
O=C(c1cc(c(s1)C)Br)c1cc2c(s1)CCCCC2	PC-id_113741629	355.313	IWZAYFRHRXBDNJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-081406
CC(=O)c1ccc(=N[C@H]2CCCCn3c(O)nnc23)[nH]c1C(F)(F)F	ZINC22_2325780473	355.315	JTMCUTKCFHPLQH-JTQLQIEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-081407
CC(=O)c1ccc(=N[C@@H]2CCCCn3c(O)nnc23)[nH]c1C(F)(F)F	ZINC22_2325780474	355.315	JTMCUTKCFHPLQH-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081408
FC(F)(F)C1=NC(=O)C(C(=O)NCc2n3CCCCCc3nn2)C=C1	PC-id_74675029	355.315	WVJPVRMCLGTJMF-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-081409
NC(=O)c1ccc(n(c1=O)Cc1nnc2n1CCCCC2)C(F)(F)F	EMOLS-id_318201873	355.315	YCHIFJQXJYBAKC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081410
O=C(c1noc2c1CCCCC2)N1CCn2c(C1)nnc2C(F)(F)F	EMOLS-id_111437545	355.315	UEVGIODSEZZWGB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-081411
O=C(NCc1nnc2n1CCCCC2)c1ccc(C(F)(F)F)nc1O	PC-id_40138842,CoCoCo_4625789,MCULE-3627849140,EMOLS-id_44054353,ZINC22_32902611	355.315	IDFVLLVRKGIBIR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081412
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccccc1C(F)(F)F	PC-id_90625364	355.335	HNQCHHPVEISTJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081413
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(ccc1)C(F)(F)F	PC-id_90625365	355.335	GORGMBXIKSGAPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081414
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(cc1)C(F)(F)F	PC-id_90625366	355.335	VSNWUZRCICHRAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081415
FC(F)(F)c1cc(Sc2nnc3n2CCCCC3)n2ncnc2n1	ZINC22_298741075,MCULE-6153216745,PC-id_136577642,EMOLS-id_316830007	355.341	XYVDPHCSFQJAMM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081416
FC(F)(F)c1nnc2ccc(Sc3nnc4n3CCCCC4)nn12	PC-id_26021343,ZINC22_14280679,EMOLS-id_98812996	355.341	HJNISTODVBQIGS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081417
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc2c(non2)c1	EMOLS-id_43065867,ZINC22_72419639,MCULE-7669629834,PC-id_56884230	355.348	XRRBAVAKKMKFLU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081418
C1CCc2nnc(n2CC1)/C(=C(/COc1ccc(cc1)[N+](=O)[O-])O)/C#N	PC-id_135760732,CoCoCo_3734176	355.348	YGVSJXMASBHDHN-PFONDFGASA-N	00000000100000110101000000000010000000000000000000000000	31-01-081419
COc1c(cc(c(c1)C=C(C#N)c1nnc2n1CCCCC2)[N+](=O)[O-])O	MCULE-7550089153,EMOLS-id_300272740,PC-id_136236505	355.348	GLCDUOLVNYXSPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081420
COc1c(cc(c(c1)/C=C(C#N)/c1nnc2n1CCCCC2)[N+](=O)[O-])O	PC-id_135623668,CoCoCo_4367085	355.348	GLCDUOLVNYXSPW-KPKJPENVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081421
COc1cc(cc(c1O)[N+](=O)[O-])/C=C(C#N)/c1nnc2n1CCCCC2	PC-id_136028719	355.348	MPZWLKGWTHCSTM-KPKJPENVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081422
COC1=CC(=CC(=C2NN=C3N2CCCCC3)C#N)C(=CC1=O)[N+](=O)[O-]	PC-id_86776062	355.348	HBTRYWYMLWMKPL-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-081423
n1(c2ccccc2oc1=O)CC(=O)N1CCn2c(CC1)nc(C(=O)N)c2	ZINC22_1875241238,EMOLS-id_331136256,MCULE-7842870420	355.348	RPGJIRGVRRNXEN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081424
N#C/C(=C/c1cc(OC)c(cc1[N+](=O)[O-])O)/c1nnc2n1CCCCC2	CoCoCo_4367086	355.348	GLCDUOLVNYXSPW-GHXNOFRVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081425
N#C/C(=C(/COc1ccc(cc1)[N+](=O)[O-])O)/c1nnc2n1CCCCC2	CoCoCo_3734177	355.348	YGVSJXMASBHDHN-CCEZHUSRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081426
N#CC(=C(COc1ccc(cc1)[N+](=O)[O-])O)c1nnc2n1CCCCC2	EMOLS-id_300257628,MCULE-1770142524	355.348	YGVSJXMASBHDHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081427
N#C[C@H](C(=O)COc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2	PC-id_2319067,ZINC22_3187757,CoCoCo_3734178	355.348	BLAKKOCHXXKWEV-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081428
N#C[C@@H](C(=O)COc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2	ZINC22_35467955,CoCoCo_3734179	355.348	BLAKKOCHXXKWEV-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081429
O(C1=C/C(=C/C(=C/N3CCCCCC3=NN2)/C#N)/C(=CC1=O)[N+](=O)[O-])C	PC-id_16391315	355.348	HBTRYWYMLWMKPL-HZYODZECSA-N	00000011000011000111000000000010000000000000000000000000	31-01-081430
BrCC1CCCN(C1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80660694	356.321	YZJCCNUIVRGCAV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-082324
O(C1=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=C([N+](=O)[O-])C1=O)C	PC-id_46800546	355.348	UCKPQEWYIXWTNP-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-081431
O(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1ccc([N+](=O)[O-])cc1	PC-id_5899852	355.348	URKZNINHKGNBNH-VKAVYKQESA-N	00000011000000110111000000000010000000000000000000000000	31-01-081432
O(CC(=O)/C(=C
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O(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1ccc([N+](=O)[O-])cc1	PC-id_6800992	355.348	URKZNINHKGNBNH-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-081434
O(CC(=O)C(c1n2CCCCCc2nn1)C#N)c1ccc([N+](=O)[O-])cc1	PC-id_7741157	355.348	BLAKKOCHXXKWEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081435
n12cc(ccc1nnn2)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	ZINC22_91644860,MCULE-1072466107,EMOLS-id_46060407,PC-id_72886555	355.351	CBFAOQJZXSYBQG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081436
Cc1cnnn1Cc1nnn2c1CN(C(=O)c1ccc(O)nn1)CCC2	EMOLS-id_313732824,ZINC22_1565555992	355.355	SUZBZKNEWFINPZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-081437
n1n2CCCN(Cc3ccccc3C(F)(F)F)Cc2cc1C(CO)O	MCULE-5598476923,PC-id_90650635,EMOLS-id_50537933	355.355	PHYKVCCSKUBGQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081438
O=C(c1cnn(c1C(F)(F)F)C(C)(C)C)N1CCCc2c(C1)cco2	EMOLS-id_99400095	355.355	CIUOSGFNRYUIIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081439
OC[C@@H](O)c1cc2n(n1)CCCN(Cc1ccccc1C(F)(F)F)C2	PC-id_100060387,ZINC22_220532828	355.355	PHYKVCCSKUBGQH-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081440
OC[C@H](O)c1cc2n(n1)CCCN(Cc1ccccc1C(F)(F)F)C2	ZINC22_220532893,PC-id_100060388	355.355	PHYKVCCSKUBGQH-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081441
BrC(c1sc2c(CCCCC2)c1)c1c(sc(c1)C)C	PC-id_63440494	355.356	SRUWZBAWTFJUSQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-081442
BrC(c1sc2c(CCCCC2)c1)c1sc(cc1)CC	PC-id_63439265	355.356	DHKMNPVRSZQCEU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-081443
BrC(c1sc2c(CCCCC2)c1)c1sc(cc1C)C	PC-id_81158935	355.356	HPSDYGQJCHFGPY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-081444
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(n(nc1)C)C	PC-id_19523675	355.358	HCOTYTXNVWRKJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081445
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCc1cn(nc1)C	PC-id_19523668	355.358	AJBNMYBCFFFSAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081446
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCc1n(ncc1)C	PC-id_19523700	355.358	PADFANSFQQEUHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081447
O=C(c1n[nH]c(c1C(F)(F)F)C)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319466338	355.358	SHGUJGLRLSEGFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081448
CC1COc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	PC-id_139471003,SCHEMBL21336998	355.36	WEWKETLCRGVDTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081449
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(F)c(F)c1	EMOLS-id_33086822,MCULE-4664811776,PC-id_53182871	355.36	VLBXNGXJPJWJTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081450
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cc(F)cc(F)c1	PC-id_53182876,EMOLS-id_33086852,MCULE-5606636764	355.36	PRCXKWNKTSQLEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081451
OC1CNS(=O)c2c(C1)c(C(=O)Nc1ccc(c(c1)F)F)n(c2)C	SCHEMBL21337253,PC-id_139471254	355.36	CCSILEPATKHCHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081452
Cc1ccoc1C(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_575406427	355.363	PJFMQVKZUZPOPW-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-081453
Cc1ccoc1C(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_575406429	355.363	PJFMQVKZUZPOPW-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-081454
Cc1ccoc1C(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_55752071	355.363	PJFMQVKZUZPOPW-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-081455
Cc1occc1C(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_248026093	355.363	NTUNVFSLZALNLI-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-081456
Cc1occc1C(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_248026096	355.363	NTUNVFSLZALNLI-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-081457
Cc1occc1C(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_50376627	355.363	NTUNVFSLZALNLI-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-081458
Fc1cc(C(=O)N2CC(c3c([nH]c(c3)C#N)C(C2)C(=O)O)(C)C)ccc1	PC-id_68923289,SCHEMBL4127535	355.363	KEOPPVFNDXONCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081459
OC(=O)C1CN(Cc2ccc(o2)c2ccccc2F)Cc2n(C1)ccn2	PC-id_146149893	355.363	RBTMAYZTHAOSGK-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-081460
O=C(O)[C@@H]1CN(Cc2ccc(c3ccccc3F)o2)Cc2nccn2C1	ZINC22_1875291206	355.363	RBTMAYZTHAOSGK-CYBMUJFWSA-N	00000000101000110101100000000010000000000000000000000000	31-01-081461
O=C(O)[C@H]1CN(Cc2ccc(c3ccccc3F)o2)Cc2nccn2C1	ZINC22_1875291207	355.363	RBTMAYZTHAOSGK-ZDUSSCGKSA-N	00000000101000110101100000000010000000000000000000000000	31-01-081462
c12CN(CCCn1nc(CNC(=O)c1cc(F)cc(c1)C#N)c2)C(=O)C	MCULE-1042225048,PC-id_70710115,ZINC22_82087918,EMOLS-id_44425349	355.366	WBUMKFPIUQASJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081463
Cn1cnc(c1)C(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_55751323	355.366	FNVGCUIKDZPFBN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081464
Cn1cnc(C(=O)N2Cc3cccn3C[C@H](Oc3ncccc3F)C2)c1	ZINC22_575403197	355.366	FNVGCUIKDZPFBN-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081465
Cn1cnc(C(=O)N2Cc3cccn3C[C@@H](Oc3ncccc3F)C2)c1	ZINC22_575403198	355.366	FNVGCUIKDZPFBN-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081466
O=C1NCC(Cc2c1cn(n2)Cc1onc(n1)c1ccccc1F)(C)C	EMOLS-id_316436538,MCULE-7962885155	355.366	UUMIZPGXQWLCDD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081467
S1CC(NC(=O)CCC(n2cc1cc2)C(=O)O)C(=O)NCC(=O)O	PC-id_86224961	355.366	QQAYKLCKOOEYFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081468
c12C(CCCCn1nnn2)C(=O)NCc1cnn(c2cccc(F)c2)c1	PC-id_118772402,EMOLS-id_68894697,MCULE-8327864271	355.37	KGEUXRPUQISHRX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081469
Cn1nc(C(=O)N[C@@H]2CCc3nnnn3CC2)cc1c1ccc(F)cc1	ZINC22_823153934	355.37	PCZDFKHYCHACDO-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081470
Cn1nc(C(=O)N[C@H]2CCc3nnnn3CC2)cc1c1ccc(F)cc1	ZINC22_823153935	355.37	PCZDFKHYCHACDO-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081471
Fc1ccc(cc1)c1cc(nn1C)C(=O)NC1CCn2c(CC1)nnn2	PC-id_145906095,EMOLS-id_324013193,MCULE-2605018729	355.37	PCZDFKHYCHACDO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081472
Fc1cc(ccc1C(=O)N1CCCc2c(C1)cnn2C)n1nnnc1C	EMOLS-id_101678408	355.37	MFSCYGKSPTUFNE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081473
Fc1ccc(CC(=O)N2CC(Cn3cncn3)Cn3ccnc3C2)nc1	EMOLS-id_313721052	355.37	IWEWTOPIXJCGSQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081474
Fc1ccc(CC(=O)N2CCCn3nnc(Cn4cccn4)c3C2)nc1	EMOLS-id_313732822,ZINC22_1565542949	355.37	MAJMXFNUOOMONK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081475
O=C(Cc1ccc(F)cn1)N1Cc2nccn2C[C@H](Cn2cncn2)C1	ZINC22_1565545564	355.37	IWEWTOPIXJCGSQ-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081476
O=C(Cc1ccc(F)cn1)N1Cc2nccn2C[C@@H](Cn2cncn2)C1	ZINC22_1614927986	355.37	IWEWTOPIXJCGSQ-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081477
O=C(NCc1cnn(c2cccc(F)c2)c1)[C@H]1CCCCn2nnnc12	ZINC22_299761357	355.37	KGEUXRPUQISHRX-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081478
O=C(NCc1cnn(c2cccc(F)c2)c1)[C@@H]1CCCCn2nnnc12	ZINC22_299761359	355.37	KGEUXRPUQISHRX-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081479
c12C(=O)NCCCc1nc(NC(=O)c1cc(c3cccnc3)on1)s2	ZINC22_96124408,MCULE-7206713531,PC-id_72720018,EMOLS-id_48619064	355.371	FIKVECQGDNHDSW-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-081480
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(ccc1)n1cnnn1	PC-id_90625256	355.374	HQMHOOKFJFZDON-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081481
s1c2CCCCCc2cc1C(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_7957218	355.375	ISAVXBIYSFTBSF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081482
O=C(Nc1nc2c(s1)CCCCCC2)c1ncccc1C(F)(F)F	EMOLS-id_313152283,PC-id_136519856,MCULE-7693576146,ZINC22_92336172	355.378	YPGAFFTWIUNGAV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081483
COc1cc(c(cc1OC)F)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99301750	355.381	ULDTXAWRWBVBMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081484
FC(CNC(=O)[C@@H]1CCCCN1C(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_320268994,MCULE-7963668056	355.383	WMHMDBUJUKDCOG-KIYNQFGBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081485
COC1=Cn2ccc(c2CC=C1)C(=O)c1cc(OC)c(c(c1)OC)OC	PC-id_143258814	355.384	GEPLWCZTZMYBIY-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-081486
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)C1Cc2c(cccc2)O1	EMOLS-id_43119485,PC-id_56897280,MCULE-3367718976	355.388	KERWUCHPEYPVLB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081487
c1(cc2c(c(C)ccc2)o1)C(=O)N1CCCn2c(cc(n2)C(CO)O)C1	PC-id_91764559,MCULE-3628078562,EMOLS-id_55615519	355.388	CVGUIPNCWQLKKW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081488
CC(C)C1=N[C@H](C(=O)N(c2c1[nH]c(c2)C(=O)O)Cc1ccccc1)CO	PC-id_136140078	355.388	AGUJOFQYIIQURG-AWEZNQCLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-081489
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1ccc2OCOc2c1	EMOLS-id_313730226	355.388	HXBCHGYNFKNIFS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081490
CNC(=O)C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_585099071	355.388	HXBCHGYNFKNIFS-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081491
CNC(=O)C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_585099072	355.388	HXBCHGYNFKNIFS-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081492
O1c2c(CC1)cc(C(=O)N1CCCn3nc(cc3C1)CCC(=O)O)cc2	PC-id_56903857	355.388	WLWOBOITEJOAKZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081493
O=C(c1ccc2c(c1)OCO2)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_247800748	355.388	FONCZTHMVCCEHZ-INIZCTEOSA-N	00100010100000100101000000001010000000000000000000000000	31-01-081494
O=C(c1ccc2c(c1)OCO2)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_247800750	355.388	FONCZTHMVCCEHZ-MRXNPFEDSA-N	00100010100000100101000000001010000000000000000000000000	31-01-081495
O=C(c1noc2c1CCCCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1	ZINC22_156547083,EMOLS-id_50354207,MCULE-1975156999,PC-id_99702686	355.388	RLRLXJSYRVMRPZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081496
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1cc2c(o1)c(C)ccc2)O	PC-id_99972115	355.388	CVGUIPNCWQLKKW-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081497
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1cc2c(o1)c(C)ccc2)O	PC-id_99972116	355.388	CVGUIPNCWQLKKW-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081498
O=C(N1CC(Cn2nccc2C1)OCC1CC1)c1ccc2OCOc2c1	EMOLS-id_50020460	355.388	FONCZTHMVCCEHZ-UHFFFAOYSA-N	00100010100000100101000000001010000000000000000000000000	31-01-081499
O=C(O)CCc1cc2n(n1)CCCN(C(=O)[C@@H]1Cc3ccccc3O1)C2	PC-id_95871540,ZINC22_72428496	355.388	KERWUCHPEYPVLB-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081500
O=C(O)CCc1cc2n(n1)CCCN(C(=O)[C@H]1Cc3ccccc3O1)C2	ZINC22_72428495,PC-id_95871539	355.388	KERWUCHPEYPVLB-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081501
N#Cc1ccccc1c1ccc(Cn2ccc3c2C(=O)NCCC3=O)cc1	PC-id_56683556,CHEMBL1796990	355.389	AJHIFEPJFSHMFS-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-081502
O=C1c2c([nH]c(Cc3ccc(cc3)c3ccc(cc3)C#N)c2)C(=O)NCC1	PC-id_56970452	355.389	FBFIKKQFDRACFQ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-081503
Oc1ccccc1Nc1nc2-c(c1C=Nc1ccccc1O)ccccc2	PC-id_102393574	355.389	QPGLNCRAQXSWBE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-081504
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(c2cc[nH]n2)o1	EMOLS-id_43098003,PC-id_56892069,ZINC22_72421008,MCULE-6690200188	355.391	ATWUMROKUGFDEN-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-081505
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1ccc2c(c1)nc([nH]2)CO	EMOLS-id_55690449,MCULE-6615184160,PC-id_91790548	355.391	IBAZTOHTLFQURQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081506
c12CN(CCCn1nc(CO)c2)C(=O)c1ccc2c(c1)ncn2CCO	MCULE-1168202988,EMOLS-id_55606968,PC-id_91761462	355.391	BFZLZYCTKNKVEV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081507
c12CN(CCCn1nc(CO)c2)C(=O)c1cccc(c1)N1CCNC1=O	PC-id_91768370,EMOLS-id_55626378,MCULE-5596991213	355.391	CYWGCQOFZDYEMI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-081508
c12C(=O)NCC(O)Cn1nc(C(=O)NCCN1CCc3ccccc13)c2	EMOLS-id_55663645,MCULE-7042992586,PC-id_91837268	355.391	CRWSZNYHAJADBR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081509
c1(C(O)C2CC2)cc2n(CCCN(Cc3noc(c4ccco4)n3)C2)n1	MCULE-3005423645,EMOLS-id_55684193,PC-id_91788438	355.391	PJPUOYSOYZSDQZ-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-081510
c1(C(O)c2ccnn2C)cc2n(CCCN(C2)C(=O)c2ccoc2C)n1	EMOLS-id_55633320,MCULE-5728410586,PC-id_91770787	355.391	ZOQKDZUSZVNNJF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-081511
c1(C(=O)N2CCCC2)cc2n(CCCN(C2)C(=O)c2c(cccn2)O)n1	PC-id_50963746,ZINC22_65404805,MCULE-8755676192,EMOLS-id_32397742	355.391	RDQRSNCVSLTMLQ-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081512
c1(C(=O)N2CCCn3c(cc(n3)C(CO)O)C2)cn2c(cccc2C)n1	PC-id_91795529,EMOLS-id_55705154,MCULE-2509871148	355.391	RLCFHADRLRCSMU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081513
c1([nH]c2c(cc(cc2)C)n1)C(=O)N1CCCn2c(cc(n2)C(CO)O)C1	EMOLS-id_55710686,MCULE-2582873983,PC-id_91797395	355.391	AJBWVKMAQHDHHT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081514
c1(=O)[nH]c2c(cccc2)n1CCC(=O)N1CCCn2nc(CO)cc2C1	PC-id_91770096,MCULE-2055384554,EMOLS-id_55631356	355.391	ZUPBEPAQPQPXEX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081515
c1(=O)oc2c(ccc(c2)NC(=O)CCc2cc3n(CCCNC3)n2)n1C	ZINC22_72454159,EMOLS-id_43144288,PC-id_70757929,MCULE-4593146846	355.391	WCCGDQYIBRBZPW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081516
Cc1nc2c(cccc2[nH]1)C(=O)N1CCCn2nc(cc2C1)C(O)CO	PC-id_91785454,EMOLS-id_55675585,MCULE-7033633799	355.391	SEOQPUAEXNWCHK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081517
Cc1nc2c(c(no2)C)c(c1)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	PC-id_91779912,EMOLS-id_55659612,MCULE-4405580648	355.391	BOCMKLXOKVDLLV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081518
Cc1nc2onc(c2c(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C)C	PC-id_99976672	355.391	BOCMKLXOKVDLLV-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081519
Cc1nc2onc(c2c(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C)C	PC-id_99976674	355.391	BOCMKLXOKVDLLV-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081520
Cc1occc1C(=O)N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1	PC-id_100040853,ZINC22_219429032	355.391	ZOQKDZUSZVNNJF-QGZVFWFLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-081521
Cc1occc1C(=O)N1CCCn2nc([C@H](O)c3ccnn3C)cc2C1	ZINC22_219429111,PC-id_100040855	355.391	ZOQKDZUSZVNNJF-KRWDZBQOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-081522
CC(C)n1cc(C#N)c(=NC(=O)c2coc3c2C(=O)NCC(C)(C)C3)[nH]1	ZINC22_1875333546	355.391	ASDXRYFTPJJFET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081523
CN1COOCc2c1ncn2CC(=O)NCCc1c[nH]c2ccccc12	SCHEMBL15384286,PC-id_89901181	355.391	DFJPLONXHOTCQR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081524
COc1ccc2[nH]c(cc2c1)C(=O)NC1CCc2nn(C)c(=O)n2CC1	PC-id_91910833,MCULE-7244412841,EMOLS-id_50586103	355.391	CJGVXITWSMDIOI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081525
COCCn1nc2CCN(CCn2c1=O)C(=O)c1cccc2[nH]ccc12	MCULE-7411063760,EMOLS-id_50589983,PC-id_91910657	355.391	QJJKCYDIHQAZGN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081526
n12CCN(CCc1nnc2Cc1ccccc1)C(=O)CN1CCOC1=O	EMOLS-id_48650298,ZINC22_95531818,MCULE-4898183020,PC-id_72941360	355.391	VDHXMFPRNXWHKM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081527
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)CN1CCOC1=O	ZINC22_2356166156,EMOLS-id_337830778,MCULE-5361565209	355.391	WCTNTJYHRQKMMC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081528
n1c(C(CO)O)cc2CN(CCCn12)C(=O)Cc1[nH]c2c(cccc2)n1	PC-id_91791227,MCULE-7460855343,EMOLS-id_55692491	355.391	JGGVWRFALXPMGV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081529
n1c(C(CO)O)cc2CN(CCCn12)C(=O)Cn1c2ccccc2nc1	PC-id_91775114,MCULE-8857599916,EMOLS-id_55645572	355.391	DBMGJIOTBBPWOX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081530
o1c2c(n(CCC(=O)NCc3n4CCCCCc4nn3)c1=O)cccc2	PC-id_51266349	355.391	KOFQLZAZQDPRCT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081531
o1c2c(n(C(C(=O)NCc3n4CCCCCc4nn3)C)c1=O)cccc2	PC-id_24676731	355.391	SRVNYBLEKXHUTA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081532
o1c2c(n(CC(=O)NCCc3n4CCCCCc4nn3)c1=O)cccc2	PC-id_55535232	355.391	OJFPCTFPZFGBLD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081533
o1c2c(n([C@H](C(=O)NCc3n4CCCCCc4nn3)C)c1=O)cccc2	PC-id_51649189	355.391	SRVNYBLEKXHUTA-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081534
o1c2c(n([C@@H](C(=O)NCc3n4CCCCCc4nn3)C)c1=O)cccc2	PC-id_51649190	355.391	SRVNYBLEKXHUTA-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081535
O1CCN(c2cc(C(=O)NCc3n4CCCCCc4nn3)ccc2)C1=O	PC-id_60458470	355.391	MCIQOOHLWDLVQO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-081536
OC1CC(C1)C(=O)N1CC(Cn2ncnc2C1)C(=O)Nc1ccccc1	EMOLS-id_313721559	355.391	QKQZAQLFDSSQHZ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-081537
O=C1C(CCn2c(N1C)c(C)nc2)NC(=O)c1ncc2c(c1)C(C)OC2	PC-id_145408039	355.391	LUXMDSBFJXVYOW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081538
O=c1[nH]c(N(CC)CC)nc(=O)c2ncn(c12)Cc1cc(OC)ccc1	PC-id_28685086	355.391	IYJLJKMKRJENCZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-081539
OCc1nc2c([nH]1)cc(cc2)C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99989252	355.391	IBAZTOHTLFQURQ-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081540
OCc1nc2c([nH]1)cc(cc2)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99989257	355.391	IBAZTOHTLFQURQ-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-081541
O=C([C@@H]1[C@H]2COC[C@@H]12)N1CCc2nnc(COc3ccccn3)n2CC1	EMOLS-id_313737168,ZINC22_1142640012	355.391	IMNLJHMBDNKULI-LAQFHYBYSA-N	00100010100000101101010000000010000000000000000000000000	31-01-081542
O=C([C@@H]1[C@H]2COC[C@@H]12)N1CCCn2nnc(COc3ccccn3)c2C1	EMOLS-id_313736666,ZINC22_1565547912	355.391	YIHJMDINILDUIA-LAQFHYBYSA-N	00100010100000101101010000000010000000000000000000000000	31-01-081543
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1cccc2c1nc([nH]2)C)O	PC-id_99982301	355.391	SEOQPUAEXNWCHK-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081544
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1cccc2c1nc([nH]2)C)O	PC-id_99982306	355.391	SEOQPUAEXNWCHK-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081545
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1cn2c(n1)cccc2C)O	PC-id_99995863	355.391	RLCFHADRLRCSMU-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081546
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1cn2c(n1)cccc2C)O	PC-id_99995865	355.391	RLCFHADRLRCSMU-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081547
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1nc2c([nH]1)cc(cc2)C)O	PC-id_99998338	355.391	AJBWVKMAQHDHHT-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081548
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1nc2c([nH]1)cc(cc2)C)O	PC-id_99998342	355.391	AJBWVKMAQHDHHT-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081549
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1nc2c([nH]1)cccc2)O	PC-id_99990281	355.391	JGGVWRFALXPMGV-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081550
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1nc2c([nH]1)cccc2)O	PC-id_99990283	355.391	JGGVWRFALXPMGV-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081551
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cn1cnc2c1cccc2)O	PC-id_99974346	355.391	DBMGJIOTBBPWOX-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081552
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cn1cnc2c1cccc2)O	PC-id_99974347	355.391	DBMGJIOTBBPWOX-QGZVFWFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081553
O[C@@H](c1cc2n(n1)CCCN(Cc1noc(c3ccco3)n1)C2)C1CC1	PC-id_100171724,ZINC22_222967648	355.391	PJPUOYSOYZSDQZ-QGZVFWFLSA-N	00100000101000000101100000000010000000000000000000000000	31-01-081554
O[C@H](c1cc2n(n1)CCCN(Cc1noc(c3ccco3)n1)C2)C1CC1	ZINC22_222967712,PC-id_100171736	355.391	PJPUOYSOYZSDQZ-KRWDZBQOSA-N	00100000101000000101100000000010000000000000000000000000	31-01-081555
O=C(N1CCCn2nc(cc2C1)C(=O)NCC1=NC=C(C(=O)C1=C)C)C	PC-id_76403949	355.391	LSDDSSFPFNNXMO-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-081556
O=C(Nc1ccccc1)C1CN(Cc2ncnn2C1)C(=O)C1CCOC1	EMOLS-id_313723094	355.391	SZFMKMVTVUDULL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081557
O=C(Nc1ccccc1)[C@@H]1CN(C(=O)C2CC(O)C2)Cc2ncnn2C1	ZINC22_1565549385	355.391	QKQZAQLFDSSQHZ-JVWICGRDSA-N	00001000100000110101000000000010000000000000000000000000	31-01-081558
O=C(Nc1ccccc1)[C@H]1CN(C(=O)C2CC(O)C2)Cc2ncnn2C1	ZINC22_1614933741	355.391	QKQZAQLFDSSQHZ-OWYJLGKBSA-N	00001000100000110101000000000010000000000000000000000000	31-01-081559
O=C(Nc1ccccc1)[C@H]1CN(C(=O)[C@H]2CCOC2)Cc2ncnn2C1	ZINC22_1565547596	355.391	SZFMKMVTVUDULL-KBPBESRZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081560
O=C(Nc1ccccc1)[C@H]1CN(C(=O)[C@@H]2CCOC2)Cc2ncnn2C1	ZINC22_1565547598	355.391	SZFMKMVTVUDULL-KGLIPLIRSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081561
O=C(Nc1ccccc1)[C@@H]1CN(C(=O)[C@H]2CCOC2)Cc2ncnn2C1	ZINC22_1565547599	355.391	SZFMKMVTVUDULL-UONOGXRCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081562
O=C(Nc1ccccc1)[C@@H]1CN(C(=O)[C@@H]2CCOC2)Cc2ncnn2C1	ZINC22_1565547600	355.391	SZFMKMVTVUDULL-ZIAGYGMSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081563
O=C(Nc1cccnc1)c1ncn2c1CN(C(=O)[C@H]1CCOC1)CCC2	ZINC22_1565544582	355.391	MIIYHOCJNQSNQD-ZDUSSCGKSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081564
O=C(Nc1cccnc1)c1ncn2c1CN(C(=O)[C@@H]1CCOC1)CCC2	ZINC22_1614947717	355.391	MIIYHOCJNQSNQD-CYBMUJFWSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081565
O=C(Nc1cccnc1)c1ncn2CCCN(Cc12)C(=O)C1CCOC1	EMOLS-id_313789753	355.391	MIIYHOCJNQSNQD-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081566
O=C(NCCN1CCc2ccccc12)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244574811	355.391	CRWSZNYHAJADBR-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081567
O=C(NCCN1CCc2ccccc12)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244574812	355.391	CRWSZNYHAJADBR-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081568
C1CCc2nnc(n2CC1)C(=Cc1ccc(o1)c1ccccc1C#N)C#N	EMOLS-id_26161345,PC-id_91647359,MCULE-2867812909	355.393	CCXMAPFADLDDSO-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-081569
N#C/C(=Cc1ccc(o1)c1ccccc1C#N)/c1nnc2n1CCCCC2	CoCoCo_3716170,PC-id_5796679	355.393	CCXMAPFADLDDSO-FOWTUZBSSA-N	00000000101000110101100000000010000000000000000000000000	31-01-081570
N#C/C(=C/c1ccc(o1)c1ccccc1C#N)/c1nnc2n1CCCCC2	CoCoCo_3716171	355.393	CCXMAPFADLDDSO-VBKFSLOCSA-N	00000000101000110101100000000010000000000000000000000000	31-01-081571
c12c(NCc3cc4n(CCCN(C(=O)C)C4)n3)ncnc1oc(CC)n2	EMOLS-id_44436429,ZINC22_82114391,MCULE-1930146767,PC-id_70741391	355.394	TUERGMZHPAIICJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081572
c1(ccnn1Cc1ccco1)NC(=O)NCc1nnc2CCCCCn12	PC-id_72926219,EMOLS-id_49173814,ZINC22_96165165,MCULE-9257392614	355.394	WRLCUWSEJOXUIH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-081573
c1(cnn(C)c1C)c1onc(C(=O)NCc2cc3n(CCCNC3)n2)c1	MCULE-1872760223,EMOLS-id_44429847,ZINC22_82098220,PC-id_70722939	355.394	RPBRNVIAQFVBOF-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-081574
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)Cc3c[nH]cn3)C2)n1	EMOLS-id_55677911,PC-id_91786285,MCULE-1103772975	355.394	OEFKDWSFIUQKRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081575
Cc1cc(nc2nc(nn12)CC(=O)N1CCCn2c(cc(n2)CO)C1)C	PC-id_91782734	355.394	YCNWPVCNVPXXLW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081576
Cc1nc2onc(c2c(c1)C(=O)NC1CCn2c(CC1)nnn2)C(C)C	EMOLS-id_102162688	355.394	WPUHLWLDCINCLN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081577
CC(c1nc2onc(c2c(c1)C(=O)NC1CCn2c(CC1)nnn2)C)C	EMOLS-id_102166426	355.394	XKWQXFUEGWKTMT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081578
CCC(c1nnc2n1CCCCC2)NC(=O)c1cccn2c1n[nH]c2=O	EMOLS-id_99152107	355.394	OZEKJROCXCWRFE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081579
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1c[nH]cn1)C2	ZINC22_222742911,PC-id_100137579	355.394	OEFKDWSFIUQKRQ-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081580
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1c[nH]cn1)C2	ZINC22_222742971,PC-id_100137589	355.394	OEFKDWSFIUQKRQ-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081581
CN(Cc1n[nH]c2c1CCCCC2)C(=O)COc1ccc2nncn2n1	MCULE-5523765013,EMOLS-id_232847501,ZINC22_823630412	355.394	PNSZAFSQBQFJMA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081582
n12ncnc1[nH]c(CN1CCCn3c(cc(n3)C(O)C3CC3)C1)cc2=O	MCULE-2190979812,PC-id_91790733,EMOLS-id_55691019	355.394	JVLVMGRKDNWWEA-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-081583
O=c1cc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)nc2nc[nH]n12	ZINC22_230550070	355.394	JVLVMGRKDNWWEA-MRXNPFEDSA-N	00100000100000100101000001000010000000000000000000000000	31-01-081584
O=c1cc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)[nH]c2ncnn12	PC-id_100209801,ZINC22_223202817	355.394	JVLVMGRKDNWWEA-INIZCTEOSA-N	00100000100000100101000001000010000000000000000000000000	31-01-081585
O=C(N1CCNC(=O)C1c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102159067	355.394	KWDXAWZUIPFWHH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081586
O=C(N[C@H]1CN(C(=O)c2cnnn2C2CC2)Cc2nccn2C1)C1CC1	ZINC22_1875405096	355.394	QOVRHWFAPIIBFY-GFCCVEGCSA-N	00100000100000000101100000000010000000000000000000000000	31-01-081587
O=C(N[C@@H]1CN(C(=O)c2cnnn2C2CC2)Cc2nccn2C1)C1CC1	ZINC22_1875405097	355.394	QOVRHWFAPIIBFY-LBPRGKRZSA-N	00100000100000000101100000000010000000000000000000000000	31-01-081588
c12CN(CCCn1nc(CNc1ncnc3[nH]cnc13)c2)C(=O)N(C)C	MCULE-2549496082,PC-id_70732589,EMOLS-id_44433277,ZINC22_82107610	355.398	SQCJFKWTRNJWNO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081589
CC([C@@H](c1nnc2n1CCNCC2)NC(=O)c1cccc2n1nnn2)C	PC-id_95216898	355.398	IIHIMTXVWDDSFJ-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081590
CC([C@H](c1nnc2n1CCNCC2)NC(=O)c1cccc2n1nnn2)C	PC-id_95216899	355.398	IIHIMTXVWDDSFJ-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081591
O=C(NC(C(C)C)c1n2CCNCCc2nn1)c1n2nnnc2ccc1	PC-id_56717197	355.398	IIHIMTXVWDDSFJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081592
Cn1cc(c(n1)C(F)F)C(=O)N(C1CCCCc2c1scc2)OC	PC-id_89945491,SCHEMBL15443483	355.403	YDOANYKNRLGTAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081593
FC(C(=O)Nc1nsc2c1C=CCN(C2=O)CC1CCCCC1)F	PC-id_142599857	355.403	OLYJPBZKNSASSJ-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-081594
c1(NC(=O)COCC(=O)O)sc2c(CCCCC2)c1C(=O)OCC	PC-id_17378840,ZINC22_17073451,CoCoCo_6834500,MCULE-5359193965,EMOLS-id_4033253,TIMTEC593734	355.406	ZHZCDTMMJQATKF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081595
C[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(c3ccccc3F)o1)C2	ZINC22_221216421,PC-id_100066054	355.406	IGVWOMROIUIIAF-AWEZNQCLSA-N	00000000101000110101100000000010000000000000000000000000	31-01-081596
C[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(c3ccccc3F)o1)C2	ZINC22_221216478,PC-id_100066055	355.406	IGVWOMROIUIIAF-CQSZACIVSA-N	00000000101000110101100000000010000000000000000000000000	31-01-081597
CC(O)c1cc2CN(Cc3ccc(o3)c3ccccc3F)CCCn2n1	MCULE-9236173511,EMOLS-id_50541323,PC-id_90651558	355.406	IGVWOMROIUIIAF-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-081598
FC1(CC1)C(=O)N1CCc2ccc(C(=O)NCc3ccccc3)n2CC1	ZINC22_1565547692,EMOLS-id_313773773	355.406	MBKJKOJEQABIBV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081599
Fc1cccc(c1)C(=O)N1CCc2ccc(C(=O)NCC3CC3)n2CC1	EMOLS-id_313774785,ZINC22_585111016	355.406	REVRZBIUSFTVDV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081600
Fc1ccc(CN2CCCn3cnc(COCc4ccco4)c3C2)cc1	PC-id_97381691,EMOLS-id_46148367,ZINC22_96059038	355.406	MYPJGRLTZPQURQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-081601
O=C(Nc1sc2c(n1)CCCCCC2)Nc1cnn(c1)CC(F)F	EMOLS-id_101103815	355.406	YUGZVXCBSMNQIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081602
O=C(Nc1sc2c(n1)CCCCCC2)NCc1nccn1C(F)F	EMOLS-id_101069035	355.406	PVZQDJQSDYUDPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081603
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)COC)C(=O)OC	PC-id_8015365	355.406	QQRHBPOFSKOREG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-081604
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)Cc1cc(ccc1)F	PC-id_90625641	355.408	SZOPOPAKYKFYSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081605
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)Cc1ccc(cc1)F	PC-id_90625642	355.408	QYQGFOUZMZLAJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081606
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)Cc1ccccc1F	PC-id_90625673	355.408	DLYYCUPYBZXIGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081607
c1(NC(=O)c2cc3c(cccc3)o2)sc2c(CCCCC2)c1C(=O)O	MCULE-3575920002,PC-id_1536947	355.408	XTTPGHSSNYMPDA-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-081608
Cc1c(ccc(c1)F)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625691	355.408	GQPKQEWARQKMLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081609
O=C(O)c1cc(CCNS(=O)(=O)c2ccccc2)c2-c1ccccc2	SCHEMBL9501560,PC-id_10450850,CHEMBL355234	355.408	TWPYYNMRMADJRV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-081610
O=C(OCN1C(=O)c2ccccc2C1=O)c1cc2c(s1)CCCCC2	MCULE-7874540284,ZINC22_7979858,EMOLS-id_43703921,PC-id_9107927,CoCoCo_2861337	355.408	RCPNYPPHMSCZMP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-081611
O=C(ON1C(=O)c2ccccc2C1=O)c1cc2CCCCCCc2s1	EMOLS-id_316748169,MCULE-8928323766	355.408	SGDIADBHJFJAGR-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-081612
O=C(ON1C(=O)c2ccccc2C1=O)c1csc2CCCCCCc12	MCULE-7035593379,EMOLS-id_316768135	355.408	IDAWNAQIVREHSD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-081613
S(=O)(O)N(CCc1c2-c(c(c1)C(=O)O)ccccc2)c1ccccc1	PC-id_67921588	355.408	RZDOWJZHTJKULH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-081614
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3ccccc3F)C2)n1	PC-id_91769433,MCULE-8640399477,EMOLS-id_55629450	355.409	IQYHCUABFAFJCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081615
c1(C(=O)N(C)Cc2cc3c(ccc(F)c3)[nH]2)cc2n(CCCN(C)C2)n1	EMOLS-id_36594821,PC-id_56750869,MCULE-6728431135,ZINC22_67723773	355.409	NGFZBUYACQESEB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081616
Cc1[nH]c2c(F)cccc2c1CC(=O)NCc1cc2CNCCCn2n1	ZINC22_97600990,EMOLS-id_49660186,MCULE-6364290450,PC-id_74240537	355.409	KTFJGTCAVRZAEZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081617
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(Cc1ccccc1F)C2	PC-id_100037314,ZINC22_219294105	355.409	IQYHCUABFAFJCC-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-081618
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(Cc1ccccc1F)C2	PC-id_100037315,ZINC22_219294130	355.409	IQYHCUABFAFJCC-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081619
Fc1cc2c(CC(=O)NCc3nn4CCCNCc4c3)c([nH]c2cc1)C	EMOLS-id_49657862,MCULE-9873366367,PC-id_74239392	355.409	IMRMYGJXPXSUGI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081620
c1(NC(=O)Cc2ccccc2N(=O)=O)sc2c(CCCCC2)c1C#N	PC-id_2225297,MCULE-9359732924,EMOLS-id_2497057,ZINC22_2872664,CoCoCo_541991,TIMTEC159135	355.411	FXEGWKIVKJXNFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081621
c1(NC(=O)Cc2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C#N	PC-id_4081891,MCULE-6732897132,TIMTEC394884,EMOLS-id_4033285,CoCoCo_5815478,ZINC22_2736889	355.411	QAEONMZBBNFJGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081622
CN1C(=O)c2ccc(C(=O)Nc3nc4c(s3)CCCCC4)cc2C1=O	ZINC22_12830002,EMOLS-id_25653788,CoCoCo_4546174,PC-id_25541782,MCULE-6270237723	355.411	ZPOLHAFMDLMXQY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081623
O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2CCCCCc2s1	ZINC22_14169910,CoCoCo_4546070,MCULE-8607461808,EMOLS-id_13499495,PC-id_17459223	355.411	FFTPJMDQLRVQSW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081624
O=C(Nc1cccc(c2noc(O)n2)c1)c1cc2c(s1)CCCCC2	MCULE-3835885736,ZINC22_68297398,PC-id_145886626,EMOLS-id_320329965	355.411	LMKLWPGCIWDJDG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081625
ONC(=O)c1cn2c(c1)CN(CCC2)C(=O)c1csc2c1cccc2	PC-id_58465753,SCHEMBL12210625	355.411	QICZLTVCIBEFIP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081626
s1c2CCCCCc2c(c1NC(=O)c1cc(c([N+](=O)[O-])cc1)C)C#N	PC-id_3392996	355.411	MXOVGAJAOJZGQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081627
s1c2CCCCCc2c(c1NC(=O)c1c(c([N+](=O)[O-])ccc1)C)C#N	PC-id_4066801	355.411	KUTNXHAKZYGXTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081628
s1c2CCCCCc2c(c1NC(=O)c1cc([N+](=O)[O-])c(cc1)C)C#N	PC-id_4128482	355.411	HNXOKLHMARAUCD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081629
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ncccc1)C#N	PC-id_5162514	355.411	QIQPXEPIVNHSAG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-081630
s1c2CCCCCCc2c(c1NC(=O)c1ccc([N+](=O)[O-])cc1)C#N	PC-id_3287007	355.411	NXNYOUCORIFFAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081631
s1c2CCCCCCc2c(c1NC(=O)c1cc([N+](=O)[O-])ccc1)C#N	PC-id_4136763	355.411	PDQRFEGFSVFIPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081632
s1c2CCCCCCc2c(c1NC(=O)c1c([N+](=O)[O-])cccc1)C#N	PC-id_4280406	355.411	JZQDXGNABIRCNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081633
Cc1cnn(C)c1S(=O)(=O)N1CCCn2nc(cc2C1)C(O)CO	MCULE-3576630625,EMOLS-id_55618408,PC-id_91765567	355.413	NWGJLJRXWZUDMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081634
CC1=NOC(C1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_72883683,MCULE-4558696611,EMOLS-id_46058273	355.413	BIFCKUYVRLFDPL-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-081635
CC1=NO[C@H](C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)C1	PC-id_97129813,ZINC22_91635971	355.413	BIFCKUYVRLFDPL-ZDUSSCGKSA-N	00000011100000000101000000000010000000000000000000000000	31-01-081636
CC1=NO[C@@H](C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)C1	ZINC22_91635972,PC-id_97129814	355.413	BIFCKUYVRLFDPL-CYBMUJFWSA-N	00000011100000000101000000000010000000000000000000000000	31-01-081637
OC[C@@H](c1nn2c(c1)CN(CCC2)S(=O)(=O)c1c(C)cnn1C)O	PC-id_99972526	355.413	NWGJLJRXWZUDMB-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081638
OC[C@H](c1nn2c(c1)CN(CCC2)S(=O)(=O)c1c(C)cnn1C)O	PC-id_99972528	355.413	NWGJLJRXWZUDMB-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081639
O=C(c1ccsc1)N1CCCn2nnc(COc3ccccn3)c2C1	PC-id_97519088,EMOLS-id_44369544,ZINC22_96258998	355.414	FRPCHAWQNMJWTK-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-081640
c1(C(=O)NCc2csc(c3cnccn3)n2)cn2c(CCNCC2)n1	MCULE-9929697989,EMOLS-id_330496789,ZINC22_1857722657	355.417	MHAOFAKNOJETOP-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-081641
c1(C(=O)NCc2csc(c3cnccn3)n2)nnc2CCCCCn12	PC-id_91770215,EMOLS-id_55631710,ZINC22_219347950,MCULE-1937323648	355.417	HSVVRWAGWBFXDI-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-081642
O=C(C1CCn2c(CC1)nnn2)NCc1scc(n1)c1ccccn1	EMOLS-id_278963847	355.417	JFRWVCMHVBCVDZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-081643
O=C(Nc1csnc1c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_319355675	355.417	UHDZWQZPDCEZPS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081644
O=C(Nc1nc2c(s1)CCCCC2)c1cccnc1SC(F)F	ZINC22_12828867,EMOLS-id_17208141,PC-id_24246461,MCULE-8325566702,CoCoCo_4546201	355.426	NYSUBGAEOINKNP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081645
CC(Oc1ccc(cc1)C(=O)c1c(C)cc2n1CCCCC2C(=O)O)C	SCHEMBL11203653,PC-id_20483927	355.427	LEGXGAAFHKUDBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081646
COC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(cc1)OC(C)C	PC-id_20484244,SCHEMBL11196946	355.427	FSCFQZYLCJIHIG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081647
COc1ccc(cc1)C(=O)c1ccc2n1CCCCC2C(=O)OC(C)C	PC-id_20484023,SCHEMBL11204625	355.428	FYFRZPLTWYOTBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081648
Fc1ccc(cc1)c1ccc(o1)C[NH2+][C@H](c1nnc2n1CCCCC2)C	GD-id_ZINC42800854	355.429	SMZGVMKCIMXVTC-AWEZNQCLSA-O	00000000101000110101100000000010000000000000000000000000	31-01-081649
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1ccccc1OCC(=C)C	PC-id_91762351,EMOLS-id_55609434,MCULE-1617240208	355.431	OWJCHVFQZDVSBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081650
C1(c2ccc(cc2)OC)(CC1)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	EMOLS-id_50529717,PC-id_90648409,MCULE-7290677587	355.431	DGEDEFCOWOYNMK-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-081651
c1cc2c(cc1CN1Cc3cncn3C[C@@H](COCC3CC3)C1)OCO2	PC-id_97476158,ZINC22_96208031	355.431	UAYIVVXLVBTTBS-KRWDZBQOSA-N	00100010100000100101000000001010000000000000000000000000	31-01-081652
c1cc2c(cc1CN1Cc3cncn3C[C@H](COCC3CC3)C1)OCO2	ZINC22_96208030,PC-id_97476157	355.431	UAYIVVXLVBTTBS-QGZVFWFLSA-N	00100010100000100101000000001010000000000000000000000000	31-01-081653
c1(CN2CCCn3c(cc(n3)C(CO)O)C2)c2ccccc2oc1CC	MCULE-9663477897,PC-id_91777028,EMOLS-id_55651155	355.431	OZWFDTDYAFDRAP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081654
c1(C(O)C2CC2)cc2n(CCCN(C(=O)COCc3ccccc3)C2)n1	PC-id_90650092,MCULE-1276470632,EMOLS-id_50535955	355.431	LVGMPBTWQGQCMJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081655
c1(C(O)c2ccccc2)cc2n(CCCN(C(=O)C3CCOCC3)C2)n1	MCULE-2120659423,EMOLS-id_55602888,PC-id_91760038	355.431	LTCVAYLPQYWKCY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081656
c1(C(=O)N2CCN(CC2)c2ccc(cc2)OC)c2CCCCCc2on1	CoCoCo_2401400,TIMTEC67043,ZINC22_6901799,PC-id_16023528,MCULE-3633310815,CHEMBL1513353,EMOLS-id_16234805	355.431	AYSDTCMOTRXVHZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081657
c1(C(=O)N2CCN(CC2)c2ccccc2OC)c2CCCCCc2on1	EMOLS-id_16234803,TIMTEC552558,ZINC22_9227031,PC-id_17254363,MCULE-8126993947,STOCK6S-88550,CoCoCo_2401398	355.431	XODMBUUIFZNAKK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081658
c1(C(=O)N2CCN(CC2)c2cccc(OC)c2)c2CCCCCc2on1	CoCoCo_2401381,EMOLS-id_16234765,MCULE-4747922282,PC-id_20923842	355.431	NRWIDKHADCZKQU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081659
c1(C(=O)NC2CCc3cc(OC)c(OC)cc23)c2CCCCCc2[nH]n1	MCULE-7940296402,EMOLS-id_323887840,EMOLS-id_104689046,STOCK7S-61254	355.431	MUZLIGHGGMTUOO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081660
c1(C(=O)Nc2ccc(cc2)CC(=O)OC(C)C)c2CCCCCc2[nH]n1	MCULE-1423729175,EMOLS-id_335147270	355.431	NYAZWAOINPQYGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081661
c1(C(=O)Nc2ccc(cc2)C(=O)OC(C)CC)c2CCCCCc2[nH]n1	EMOLS-id_335102752,MCULE-7213988689	355.431	VTPZAAODEJFHRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081662
c1(C(=O)Nc2ccc(cc2)C(=O)OCCCC)c2CCCCCc2[nH]n1	EMOLS-id_335110680,MCULE-1810076905	355.431	XZPBUUVOZXPTGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081663
c1(C(=O)Nc2ccc(cc2)C(=O)OCC(C)C)c2CCCCCc2[nH]n1	EMOLS-id_335142163,MCULE-9459013301	355.431	FCDJLPSMHQSPSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081664
c1(C(=O)Nc2cccc(c2)C(=O)OCCCC)c2CCCCCc2[nH]n1	MCULE-2732601372,EMOLS-id_335124508	355.431	UVQCJWGSFRXBHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081665
c1(C(=O)Nc2ccccc2C(=O)OCCCC)c2CCCCCc2[nH]n1	MCULE-5292345936,EMOLS-id_335088936	355.431	VPGHKRRCYPCMGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081666
c1(C(=O)Nc2cccc(c2)C(=O)OC(C)CC)c2CCCCCc2[nH]n1	MCULE-6630474325,EMOLS-id_335098640	355.431	ANCQKVDHKYILEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081667
c1(C(=O)NCc2ccc(cc2)C(=O)OCCC)c2CCCCCc2[nH]n1	EMOLS-id_335132429,MCULE-9706194226	355.431	CFPHIFHJYHDJJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081668
c1(C(=O)NCc2ccc(cc2)C(=O)OC(C)C)c2CCCCCc2[nH]n1	MCULE-4537939702,EMOLS-id_335122181	355.431	WVFNYQYVEJRIRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081669
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)c(C)oc2CCCC(=O)c12	PC-id_118790231,EMOLS-id_68930572,MCULE-5635298455,ZINC22_299795791	355.431	MDTFBRKHGFIROJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-081670
Cc1ccccc1CN1CCc2c(CC1)oc(n2)C(=O)N1CCOCC1	PC-id_134805890	355.431	WZFNBHGRIPYFRT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081671
Cc1cccc(C(=O)N2Cc3cccn3C[C@@H](OCC(=O)N(C)C)C2)c1	ZINC22_585095263	355.431	LASMMDAPINKJHK-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081672
Cc1cccc(C(=O)N2Cc3cccn3C[C@H](OCC(=O)N(C)C)C2)c1	ZINC22_585095264	355.431	LASMMDAPINKJHK-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081673
Cc1ccc(OCC(=O)N2Cc3ccnn3C[C@@H](OCC3CC3)C2)cc1	ZINC22_248019330	355.431	LVGLOGIMDUGYRW-IBGZPJMESA-N	00100000100000110101000000000010000000000000000000000000	31-01-081674
Cc1ccc(OCC(=O)N2Cc3ccnn3C[C@H](OCC3CC3)C2)cc1	ZINC22_248019333	355.431	LVGLOGIMDUGYRW-LJQANCHMSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081675
Cc1ccc(OCC(=O)N2CC(Cn3nccc3C2)OCC2CC2)cc1	EMOLS-id_50008338	355.431	LVGLOGIMDUGYRW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081676
C=C(C)COc1ccccc1C(=O)N1CCCn2nc([C@H](C)O)cc2C1	PC-id_99971838,ZINC22_216964639	355.431	OWJCHVFQZDVSBV-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081677
C=C(C)COc1ccccc1C(=O)N1CCCn2nc([C@@H](C)O)cc2C1	ZINC22_216964626,PC-id_99971837	355.431	OWJCHVFQZDVSBV-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081678
CCC(Oc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)NC	SCHEMBL6095645,PC-id_21953066	355.431	ICBSAXIOHICZPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081679
CCNCCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL6095616,PC-id_21953041	355.431	VANXLDMFARKLDH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081680
CCOc1cccc(c1)C(=O)N1CC(CC(=O)NC)Cn2cccc2C1	EMOLS-id_313807407	355.431	QVADDZUQOUACOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081681
CCOc1cccc(C(=O)N2Cc3cccn3C[C@H](CC(=O)NC)C2)c1	ZINC22_585099161	355.431	QVADDZUQOUACOM-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081682
CCOc1cccc(C(=O)N2Cc3cccn3C[C@@H](CC(=O)NC)C2)c1	ZINC22_585099162	355.431	QVADDZUQOUACOM-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081683
CCOC(=O)CN(Cc1ccccc1)C(=O)c1n[nH]c2CCCCCc12	MCULE-1603365762,EMOLS-id_334792767	355.431	XVPVUMMRGDNIAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081684
Cn1ccc2c1C(=O)N(CCCNCCOc1ccccc1)CCC2=O	PC-id_20083203,SCHEMBL6991979	355.431	XXYSJUSOGOOMLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081685
CNCCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL6095650,PC-id_69662796	355.431	BGCCKMJQMUJNDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081686
CN(C)C(=O)CC1CN(Cc2ccc3OCOc3c2)Cc2cccn2C1	EMOLS-id_313812259	355.431	FJXXOZHRVPMGEY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081687
CN(C)C(=O)C[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_585099039	355.431	FJXXOZHRVPMGEY-INIZCTEOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081688
CN(C)C(=O)C[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_585099040	355.431	FJXXOZHRVPMGEY-MRXNPFEDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081689
CN(C)C(=O)COC1CN(Cc2cccn2C1)C(=O)c1cccc(C)c1	EMOLS-id_313748659	355.431	LASMMDAPINKJHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081690
COc1cc2c(cc1OC)[C@@H](NC(=O)c1n[nH]c3c1CCCCC3)CC2	ZINC22_524734248	355.431	MUZLIGHGGMTUOO-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081691
COc1cc2c(cc1OC)[C@H](NC(=O)c1n[nH]c3c1CCCCC3)CC2	ZINC22_524734249	355.431	MUZLIGHGGMTUOO-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081692
COc1ccc(C2(C(=O)N3CCCn4nc([C@@H](C)O)cc4C3)CC2)cc1	PC-id_100031006,ZINC22_218975805	355.431	DGEDEFCOWOYNMK-CQSZACIVSA-N	00100000100000110101100000000010000000000000000000000000	31-01-081693
COc1ccc(C2(C(=O)N3CCCn4nc([C@H](C)O)cc4C3)CC2)cc1	ZINC22_218975845,PC-id_100031008	355.431	DGEDEFCOWOYNMK-AWEZNQCLSA-N	00100000100000110101100000000010000000000000000000000000	31-01-081694
COc1ccccc1C1OCCN(C1)C(=O)c1cnc2n1CCCCC2	MCULE-2864808060,EMOLS-id_319882870	355.431	POLIEOOQFDKDGH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081695
COc1ccc(cc1)Cn1c2c(cn1)C(=O)CCCN2CC1CCCO1	SCHEMBL15303455,PC-id_86698354	355.431	OQLQFHSVLSPUFI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081696
COc1cccc(c1)CN1CCc2c(CC1)oc(n2)C(=O)NCC1CC1	PC-id_134807709	355.431	HSGHYYMPGLCRSF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081697
COc1ccc(cc1)C(=O)CCC(=O)NCc1n[nH]c2CCCCCc12	MCULE-7950694471,ZINC22_220163348,EMOLS-id_50536029,PC-id_90650115	355.431	NXLIVYBSLPFZNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081698
COc1ccc(cn1)C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_279156615	355.431	XKLUFZPZGNHEIT-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-081699
C(OCC1CN(Cc2ccc3OCOc3c2)Cc2cncn2C1)C1CC1	EMOLS-id_49231049	355.431	UAYIVVXLVBTTBS-UHFFFAOYSA-N	00100010100000100101000000001010000000000000000000000000	31-01-081700
COCCN(C(=O)c1[nH]nc2c1CCCCC2=O)CCc1ccccc1	PC-id_144418677	355.431	YUVPMLGYGWDSJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081701
O=C(C1CCOCC1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_247891033	355.431	YMFGYPKWYACBDS-IBGZPJMESA-N	00000000100010101101000000000010000000000000000000000000	31-01-081702
O=C(C1CCOCC1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_247891037	355.431	YMFGYPKWYACBDS-LJQANCHMSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081703
O=C(C1CCOCC1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_247875203	355.431	SPTXACCEVYOYLA-IBGZPJMESA-N	00000000100010101101000000000010000000000000000000000000	31-01-081704
O=C(C1CCOCC1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_247875205	355.431	SPTXACCEVYOYLA-LJQANCHMSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081705
O=C(C1CCOCC1)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_50007894	355.431	YMFGYPKWYACBDS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081706
O=C(c1noc2c1CCCCC2)N1CCC(CC1)(O)Cc1ccccn1	EMOLS-id_319737822	355.431	WDNXCORDSIPXRM-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081707
O=C(c1noc2c1CCCCC2)Nc1cccc(c1)CN1CCOCC1	EMOLS-id_100923090	355.431	JZKAMUFCUUWFIU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081708
O=C(c1noc2c1CCCCC2)NCc1ccccc1N1CCOCC1	EMOLS-id_100944624	355.431	OPHZMACJRAVTGV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081709
OC[C@@H](c1nn2c(c1)CN(CCC2)Cc1c(CC)oc2c1cccc2)O	PC-id_99974688	355.431	OZWFDTDYAFDRAP-SFHVURJKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081710
OC[C@H](c1nn2c(c1)CN(CCC2)Cc1c(CC)oc2c1cccc2)O	PC-id_99974689	355.431	OZWFDTDYAFDRAP-GOSISDBHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081711
O=C(COCc1ccccc1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	PC-id_100053365,ZINC22_220148270	355.431	LVGMPBTWQGQCMJ-HXUWFJFHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081712
O=C(COCc1ccccc1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_220148203,PC-id_100053364	355.431	LVGMPBTWQGQCMJ-FQEVSTJZSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081713
O=C(N1CCCn2c(C1)cc(c2)C(=O)NO)c1ccc(C(C)(C)C)cc1	SCHEMBL12210497,PC-id_58465838	355.431	SOOXNDLHCYNUGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081714
O=C(N1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O)C1CCOCC1	PC-id_100002275	355.431	LTCVAYLPQYWKCY-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-081715
O=C(N1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O)C1CCOCC1	PC-id_100002279	355.431	LTCVAYLPQYWKCY-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081716
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)c1ccc(C(C)C)cc1	PC-id_56887923	355.431	NAEVLAOXLFYCSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081717
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)CCCc1ccccc1	PC-id_56901413	355.431	GHEFVOXGGURDKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081718
O=C(Nc1ccc(cc1C)C)NC(=O)C(N1CCCc2c(C1)cco2)C	EMOLS-id_99340528	355.431	MMTVBKNRCHRFJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081719
s1c(NC(=O)C2C3CC(C2C(=O)[O-])C=C3)c(c2c1CCCCC2)C#N	PC-id_73132237	355.431	VOSIPQAIPKUIDN-UHFFFAOYSA-M	00000011100000000100000000000110000000000000000000000000	31-01-081720
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C#N	PC-id_11879230	355.431	VOSIPQAIPKUIDN-CJTUPEFNSA-M	00000011100000000100000000000110000000000000000000000000	31-01-081721
s1c(NC(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C#N	PC-id_20022006	355.431	VOSIPQAIPKUIDN-QMMBQJITSA-M	00000011100000000100000000000110000000000000000000000000	31-01-081722
s1c(NC(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C#N	PC-id_23306719	355.431	VOSIPQAIPKUIDN-GREKMHCPSA-M	00000011100000000100000000000110000000000000000000000000	31-01-081723
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C#N	PC-id_6567633	355.431	VOSIPQAIPKUIDN-OVTCNUJSSA-M	00000011100000000100000000000110000000000000000000000000	31-01-081724
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C#N	PC-id_7111775	355.431	VOSIPQAIPKUIDN-LZJQFABFSA-M	00000011100000000100000000000110000000000000000000000000	31-01-081725
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1sc(c(n1)C)C	EMOLS-id_112084469	355.432	HRYLXOJJADOPLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081726
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)c1cccn1C	EMOLS-id_46040865,ZINC22_91445140,PC-id_72859550,MCULE-4057114313	355.434	DGIYRDNOPAZNRV-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-081727
c12CN(CCCn1nc(CNC(=O)c1cccn1C)c2)C(=O)C1CCC1	EMOLS-id_43603103,PC-id_70783522,ZINC22_77537838,MCULE-9360970526	355.434	LVYRLNVXEJMHDG-UHFFFAOYSA-N	00001000110000000101000000000010000000000000000000000000	31-01-081728
c12CN(CCCn1nc(CNC(=O)c1cc[nH]c1C)c2)C(=O)C1CCC1	MCULE-9745263056,ZINC22_77436588,EMOLS-id_43582737,PC-id_70750813	355.434	HLEGCZUPGDMWCZ-UHFFFAOYSA-N	00001000110000000101000000000010000000000000000000000000	31-01-081729
c12CN(CCCn1nc(CNC(=O)CC(N)c1ccccc1)c2)C(=O)C	MCULE-9280860386,PC-id_70751961,EMOLS-id_44440089	355.434	JSGPITKKFBMWFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081730
c12CN(CCCn1nc(CNC(=O)[C@@H](N)Cc1ccccc1)c2)C(=O)C	MCULE-5650942972,ZINC22_82121125,PC-id_70750900,EMOLS-id_44439715	355.434	BDTPDWWMCVTFFD-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081731
c12CN(CCCn1nc(CNC(=O)Nc1cc(C)ccc1C)c2)C(=O)C	EMOLS-id_44426485,ZINC22_82092526,MCULE-4389369003,PC-id_70713279	355.434	VJRDLSFKEMWJDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081732
c12CN(CCCn1nc(CNC(=O)NCc1ccccc1C)c2)C(=O)C	EMOLS-id_44447359,PC-id_70773159,ZINC22_82145966,MCULE-9606091605	355.434	YJASLFYVWMMTOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081733
c12nnnn1CCCCC2C(=O)N1CCC(CC1)Oc1ccc(cc1)C	EMOLS-id_68894673,PC-id_118772389,MCULE-7160520296	355.434	BTLMHVGWYNIQNI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081734
c12nnnn1CCCCC2C(=O)N1CCC(CC1)Oc1ccccc1C	EMOLS-id_68925062,MCULE-5388615198,PC-id_118787511	355.434	GCPBADBSJKFIIW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081735
c1(c2CCCc2[nH]n1)C(=O)N1CCCn2c(cc(n2)C(O)C2CCC2)C1	MCULE-5946420262,EMOLS-id_55632354,PC-id_91770448	355.434	JADXOTDVXXUPDU-UHFFFAOYSA-N	00001010100000000101000010000010000000000000000000000000	31-01-081736
c1(C(CC(C)C)NC(=O)C(=O)c2ccccc2)nnc2CCNCCn12	MCULE-7604852083,EMOLS-id_36459351,PC-id_56719446	355.434	KYPLTZHGCGVIQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081737
c1(C(C(C)C)NC(=O)c2cccc3CCOc23)nnc2CCNCCn12	EMOLS-id_36445551,PC-id_56712720,MCULE-8702273424	355.434	MHXPWUUATNZRQH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081738
c1(cn2c(CCNCC2)n1)C(=O)N1CCC(CC1)c1ccn(c(=O)c1)C	ZINC22_1857735297,MCULE-5105151997,EMOLS-id_330443335	355.434	BUWDJCQMZXOGJN-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-081739
C1CN(Cc2cc(nn2C1)C(C1CC1)O)CCC(=O)Nc1cnccc1	PC-id_91788480	355.434	LSQONGAEUGALNV-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-081740
c1(CN(C)CC(=O)Nc2ccc(cc2)C(=O)N)c2CCCCCc2[nH]n1	EMOLS-id_55688151,MCULE-1996914700,PC-id_91840731,ZINC22_252505778	355.434	VTRQMHANJXHYPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081741
c1(C(O)C2CC2)cc2n(CCCN(C2)C(=O)c2cncnc2CCC)n1	EMOLS-id_50539031,MCULE-7744229231,PC-id_90650935	355.434	AGAHQSVXEHUPMP-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-081742
c1(C(O)c2ccnn2C)cc2n(CCCN(CCCc3ccco3)C2)n1	EMOLS-id_55700343,PC-id_91793904,MCULE-4165285636	355.434	QEGJHIGQLGSQRY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-081743
c1(C(=O)N2CCCC2)cc2n(CCCN(C(=O)C(C)n3cccc3)C2)n1	EMOLS-id_32400898,PC-id_50965430,MCULE-1165636289	355.434	HGGFVRVIQSXDER-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-081744
c1(C(=O)N2CCCC(C2)OCc2ccccn2)nnc2CCCCCn12	EMOLS-id_316212533,MCULE-1100343993	355.434	IZBAMFOENCIPDY-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081745
c1(C(=O)Nc2ccccc2)cc2n(CCCN(C2)C(=O)NC(C)(C)C)n1	PC-id_50964296,EMOLS-id_32398780,ZINC22_65405570,MCULE-9899097076	355.434	DUOZBCSBQYPJRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081746
c1(C(=O)NCCC(=O)Nc2ccccc2C)cc2n(CCCN(C)C2)n1	MCULE-9735562817,PC-id_50950908,EMOLS-id_32373326,ZINC22_65373200	355.434	XNSSANHMFYBDQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081747
CC1Cc2nnc(COc3ccccn3)n2CCN1CC1=CCCOC1	EMOLS-id_313825316	355.434	DKAVCCWAOYEBEH-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-081748
CC1Cc2nnc(COCC3CCC3)n2CCN1C(=O)c1ccncc1	EMOLS-id_313823269	355.434	YZDSHXUSKYUXPU-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-081749
Cc1ccc(cc1)C1(CCOCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102160327	355.434	VVLRKRRGILKEIQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081750
Cc1ccccc1C1(CCOCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102162703	355.434	GIYRZFHDZMFOTR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081751
Cc1cccc(c1)NC(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97410135	355.434	UYDHFQCGRIOTBF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081752
Cc1ccccc1OC1CCN(C(=O)[C@H]2CCCCn3nnnc23)CC1	ZINC22_299792866	355.434	GCPBADBSJKFIIW-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081753
Cc1ccccc1OC1CCN(C(=O)[C@@H]2CCCCn3nnnc23)CC1	ZINC22_299792877	355.434	GCPBADBSJKFIIW-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081754
Cc1cc(C)c(c(c1)C)NC(=O)C(=O)NCc1nnc2n1CCCCC2	GD-id_ZINC48995526	355.434	XKZBWJGPAHXQRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081755
Cc1cc(C)cc(C(=O)NCC(=O)NCc2nnc3n2CCCCC3)c1	ZINC22_12803657,EMOLS-id_18842316,CoCoCo_4625764,PC-id_25524184,MCULE-5537618726	355.434	NYWUCIAQGWNSED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081756
Cc1cccc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCOCC2)n1	ZINC22_585097418	355.434	LMNRQRHQGORTLD-INIZCTEOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081757
Cc1cccc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCOCC2)n1	ZINC22_585097419	355.434	LMNRQRHQGORTLD-MRXNPFEDSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081758
Cc1cccc(n1)C(=O)N1Cc2ccnn2CCC1CN1CCOCC1	EMOLS-id_313816106	355.434	LMNRQRHQGORTLD-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081759
Cc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCOCC2)nc1	ZINC22_585097594	355.434	NDSVBZLZHBZNJM-INIZCTEOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081760
Cc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCOCC2)nc1	ZINC22_585097595	355.434	NDSVBZLZHBZNJM-MRXNPFEDSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081761
Cc1ccc(nc1)C(=O)N1Cc2ccnn2CCC1CN1CCOCC1	EMOLS-id_313816361	355.434	NDSVBZLZHBZNJM-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081762
Cc1cc(C)nc(n1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111434128	355.434	QKHUOYAKCFKPJC-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-081763
Cc1ccc(OC2CCN(C(=O)[C@H]3CCCCn4nnnc34)CC2)cc1	ZINC22_299759207	355.434	BTLMHVGWYNIQNI-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081764
Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCCn4nnnc34)CC2)cc1	ZINC22_299759208	355.434	BTLMHVGWYNIQNI-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081765
Cc1ccnc(c1)C(=O)N1Cc2ccnn2CCC1CN1CCOCC1	EMOLS-id_313816617	355.434	ZWYIEDAHRDDUIT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081766
Cc1ccnc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCOCC2)c1	ZINC22_585098642	355.434	ZWYIEDAHRDDUIT-INIZCTEOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081767
Cc1ccnc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCOCC2)c1	ZINC22_585098644	355.434	ZWYIEDAHRDDUIT-MRXNPFEDSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081768
Cc1cnc(cn1)C(=O)N1CC(COCC2CCC2)Cn2cncc2C1	EMOLS-id_49228865	355.434	WFRFDLTUJNYISR-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-081769
Cc1cnc(C(=O)N2Cc3cncn3C[C@H](COCC3CCC3)C2)cn1	ZINC22_96206619,PC-id_97474780	355.434	WFRFDLTUJNYISR-MRXNPFEDSA-N	00001000100000100101000000000010000000000000000000000000	31-01-081770
Cc1cnc(C(=O)N2Cc3cncn3C[C@@H](COCC3CCC3)C2)cn1	ZINC22_96206620,PC-id_97474781	355.434	WFRFDLTUJNYISR-INIZCTEOSA-N	00001000100000100101000000000010000000000000000000000000	31-01-081771
Cc1cnc(OCC2CCn3nccc3CN2CC2=CCCOC2)nc1	EMOLS-id_313744309	355.434	TYCOIBPKVURJBY-UHFFFAOYSA-N	00000000100011100101000000000010000000000000000000000000	31-01-081772
Cc1cnc(OC[C@H]2CCn3nccc3CN2CC2=CCCOC2)nc1	ZINC22_585098082	355.434	TYCOIBPKVURJBY-GOSISDBHSA-N	00000000100011100101000000000010000000000000000000000000	31-01-081773
Cc1cnc(OC[C@@H]2CCn3nccc3CN2CC2=CCCOC2)nc1	ZINC22_585098084	355.434	TYCOIBPKVURJBY-SFHVURJKSA-N	00000000100011100101000000000010000000000000000000000000	31-01-081774
CCc1ccc(C(=O)N2CCCn3ncc(C(=O)N(C)CC)c3C2)cn1	EMOLS-id_313766593,ZINC22_1565544283	355.434	HKLOSNZRVMZGKA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-081775
CCCc1ncncc1C(=O)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	PC-id_100064851,ZINC22_220757115	355.434	AGAHQSVXEHUPMP-SFHVURJKSA-N	00100000100000100101000000000010000000000000000000000000	31-01-081776
CCCc1ncncc1C(=O)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_220757185,PC-id_100064854	355.434	AGAHQSVXEHUPMP-GOSISDBHSA-N	00100000100000100101000000000010000000000000000000000000	31-01-081777
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccc2c(c1)COC2	EMOLS-id_98572963	355.434	FSWCRAVPJOFWHO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081778
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1cccc2c1CCO2	EMOLS-id_100890219	355.434	FBHJWBOUDGNBSK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081779
CC(C)C[C@@H](NC(=O)C(=O)c1ccccc1)c1nnc2n1CCNCC2	PC-id_95223591,ZINC22_67908822	355.434	KYPLTZHGCGVIQM-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081780
CC(C)C[C@H](NC(=O)C(=O)c1ccccc1)c1nnc2n1CCNCC2	ZINC22_67908820,PC-id_95223590	355.434	KYPLTZHGCGVIQM-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081781
CC(C)(C)C(=O)N1CCc2nnc(CNC(=O)c3ccccc3)n2CC1	PC-id_42322357,CoCoCo_1138493,MCULE-2650225652,ZINC22_11970082,EMOLS-id_20405038	355.434	USLIBEUJJOGXCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081782
CC(C)[C@H](NC(=O)c1cccc2c1OCC2)c1nnc2n1CCNCC2	PC-id_95202209,ZINC22_67690735	355.434	MHXPWUUATNZRQH-INIZCTEOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081783
CC(C)[C@@H](NC(=O)c1cccc2c1OCC2)c1nnc2n1CCNCC2	ZINC22_67690737,PC-id_95202210	355.434	MHXPWUUATNZRQH-MRXNPFEDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081784
CCCNC(=O)c1cccc(c1)CNC(=O)C1CCn2c(CC1)nnc2	MCULE-4498136009,EMOLS-id_320250408	355.434	BCNANJBSWMPAME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081785
C[C@H]1Cc2nnc(COc3ccccn3)n2CCN1CC1=CCCOC1	ZINC22_585097003	355.434	DKAVCCWAOYEBEH-HNNXBMFYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-081786
C[C@@H]1Cc2nnc(COc3ccccn3)n2CCN1CC1=CCCOC1	ZINC22_585097004	355.434	DKAVCCWAOYEBEH-OAHLLOKOSA-N	00000000100011101101000000000010000000000000000000000000	31-01-081787
C[C@H]1Cc2nnc(COCC3CCC3)n2CCN1C(=O)c1ccncc1	ZINC22_585098753	355.434	YZDSHXUSKYUXPU-AWEZNQCLSA-N	00001000100000101101000000000010000000000000000000000000	31-01-081788
C[C@@H]1Cc2nnc(COCC3CCC3)n2CCN1C(=O)c1ccncc1	ZINC22_585098754	355.434	YZDSHXUSKYUXPU-CQSZACIVSA-N	00001000100000101101000000000010000000000000000000000000	31-01-081789
C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2cc(N3CCC(O)CC3)ccn2)C1	ZINC22_1875349838	355.434	OZGPQVCPQSGTLK-CYBMUJFWSA-N	00000000100010101101100000000010000000000000000000000000	31-01-081790
C[C@H]1Cc2n[nH]cc2CN(C(=O)c2cc(N3CCC(O)CC3)ccn2)C1	ZINC22_1875349839	355.434	OZGPQVCPQSGTLK-ZDUSSCGKSA-N	00000000100010101101100000000010000000000000000000000000	31-01-081791
C[C@@H](C(=O)N1CCCn2nc(C(=O)N3CCCC3)cc2C1)n1cccc1	ZINC22_65407070,PC-id_95128641	355.434	HGGFVRVIQSXDER-HNNXBMFYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-081792
C[C@H](C(=O)N1CCCn2nc(C(=O)N3CCCC3)cc2C1)n1cccc1	ZINC22_65407071,PC-id_95128642	355.434	HGGFVRVIQSXDER-OAHLLOKOSA-N	00000010110000000101000000000010000000000000000000000000	31-01-081793
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCCc2occc2C1	ZINC22_288737756	355.434	HDIDPJLPZBOCFC-HNNXBMFYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-081794
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCCc2occc2C1	ZINC22_288737760	355.434	HDIDPJLPZBOCFC-OAHLLOKOSA-N	00000000100010100101100000000010000000000000000000000000	31-01-081795
CC(NC(=O)c1ccc(cc1C)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_278133917	355.434	HFJUKMSGWXXMCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081796
CC(NC(=O)c1cc(ccc1C)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316678971	355.434	RMEMDNWATLJWAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081797
CC(NC(=O)Nc1cccc(c1)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_318356047	355.434	VONVMFBQNMWQQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081798
CC(=O)N1CCCn2nc(CNC(=O)C[C@H](N)c3ccccc3)cc2C1	PC-id_96577286,ZINC22_82121370	355.434	JSGPITKKFBMWFD-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081799
CC(=O)N1CCCn2nc(CNC(=O)C[C@@H](N)c3ccccc3)cc2C1	PC-id_96577287,ZINC22_82121371	355.434	JSGPITKKFBMWFD-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081800
CC(=O)NCCC(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	PC-id_56701282,EMOLS-id_36421572,MCULE-3968191729,ZINC22_67446542	355.434	MXXPHDCHISGBND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081801
CN1CCN(CC1)c1ccc(cn1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100950558	355.434	JLPCCGIKAOIYLQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-081802
CN1CCOC[C@@H]1C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356166705,MCULE-9555514471,EMOLS-id_337779599	355.434	KIWFMKAXSGLQMU-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081803
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(CCCc1ccco1)C2	PC-id_100263793,ZINC22_223514017	355.434	QEGJHIGQLGSQRY-IBGZPJMESA-N	00000000101000000101000000000010000000000000000000000000	31-01-081804
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(CCCc1ccco1)C2	ZINC22_223514074,PC-id_100263804	355.434	QEGJHIGQLGSQRY-LJQANCHMSA-N	00000000101000000101000000000010000000000000000000000000	31-01-081805
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)C(=O)Nc1ccccc1	MCULE-1868761486,EMOLS-id_168607902	355.434	QGYNDELRQZMEBC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081806
COc1ccc(cc1)C1NCCN(C1)C(=O)C1CCn2c(CC1)nnc2	MCULE-3692474642,EMOLS-id_320072444	355.434	WGDWHWNUVQYLPC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081807
COc1ccccc1CN1Cc2ncnn2C[C@@H](C(=O)NCC2CC2)C1	ZINC22_306134585	355.434	NSQLTTSTPBPNRS-INIZCTEOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081808
COc1ccccc1CN1Cc2ncnn2C[C@H](C(=O)NCC2CC2)C1	ZINC22_306134586	355.434	NSQLTTSTPBPNRS-MRXNPFEDSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081809
COc1ccccc1N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320252573,MCULE-6049572685	355.434	UARQOMUWZIKCPJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081810
COc1cccc(CN2Cc3ncnn3C[C@@H](C(=O)N3CCCC3)C2)c1	ZINC22_306139341	355.434	SUYLSBCNBAIJGA-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081811
COc1cccc(CN2Cc3ncnn3C[C@H](C(=O)N3CCCC3)C2)c1	ZINC22_306139342	355.434	SUYLSBCNBAIJGA-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081812
COc1cccc(CN2CC(Cn3ncnc3C2)C(=O)N2CCCC2)c1	EMOLS-id_55734955	355.434	SUYLSBCNBAIJGA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081813
COc1ccc(CN2Cc3ncnn3C[C@@H](C(=O)N3CCCC3)C2)cc1	ZINC22_306124747	355.434	BYHJTDCQYFJGBH-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081814
COc1ccc(CN2Cc3ncnn3C[C@H](C(=O)N3CCCC3)C2)cc1	ZINC22_306124748	355.434	BYHJTDCQYFJGBH-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081815
COc1ccc(CN2CC(Cn3ncnc3C2)C(=O)N2CCCC2)cc1	EMOLS-id_55738433	355.434	BYHJTDCQYFJGBH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081816
COc1ncc(cc1)CN1CCc2ncc(n2CC1)C(=O)NCC1CC1	PC-id_134810593	355.434	DWGOOOPWEZRUBN-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-081817
COc1ncccc1C(=O)N1Cc2ccnn2CCC1CN1CCCC1	EMOLS-id_313818411	355.434	KQSSUVNZGYLEQU-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081818
COc1ncccc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1	ZINC22_585097390	355.434	KQSSUVNZGYLEQU-HNNXBMFYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081819
COc1ncccc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1	ZINC22_585097391	355.434	KQSSUVNZGYLEQU-OAHLLOKOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081820
n12CCC(CCc1nn(CC1CC1)c2=O)NC(=O)NCc1ccccc1	MCULE-7894044370,PC-id_91910857,EMOLS-id_50590508	355.434	OBLJQMQZQQGIOC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081821
n12CCC(CCc1nn(Cc1cccnc1)c2=O)CC(=O)NCC1CC1	EMOLS-id_207877257,MCULE-8354701614	355.434	PIDFVRRNYJWQKU-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-081822
n12CCCNCc1cc(CNC(=O)c1ccccc1N1CCOCC1)n2	PC-id_70763887,EMOLS-id_44444179,ZINC22_82136759,MCULE-2431526183	355.434	HMOWHDBPQUOLQY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081823
n12CCN(CCc1nnc2Cc1ccccc1)CC(=O)N1CCOCC1	EMOLS-id_55700013,MCULE-5946126252,PC-id_91842460,ZINC22_244874804	355.434	XHOQMSSQEYVLBL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081824
n12CCN(CCc1nn(CC1CC1)c2=O)C(=O)NCCc1ccccc1	EMOLS-id_239628871,MCULE-2444533731	355.434	DTQNTXYRZSSHEV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081825
N#CC1(C(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)CCCC1	ZINC22_1565545837,EMOLS-id_313772236	355.434	QHGPUBDIMHJGIT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081826
NCCCOc1ccc(cc1CNC1C=Cc2c(C=C1)nc([nH]2)N)OC	PC-id_142104295	355.434	RYLJGYPQYNGSCU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-081827
O1C(CCC1)CN(C(=O)c1n2CCCCCc2nn1)Cc1ncccc1	PC-id_77080188	355.434	NTZOJTRFGLIDNI-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081828
O=C(c1cc(C2CC2)on1)N1Cc2nccn2C[C@H](CN2CCCC2)C1	ZINC22_1565544449	355.434	HDXRPDRVLGDDIE-AWEZNQCLSA-N	00100010100000000101100000000010000000000000000000000000	31-01-081829
O=C(c1cc(C2CC2)on1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_1614946900	355.434	HDXRPDRVLGDDIE-CQSZACIVSA-N	00100010100000000101100000000010000000000000000000000000	31-01-081830
O=C(c1ccc(cc1)N1CCOCC1)NCc1nnc2n1CCCCC2	PC-id_92627398	355.434	FRCCGNQCIBRWLK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081831
OC(c1ccccn1)C1CCN(CC1)C(=O)c1nnc2n1CCCCC2	MCULE-7437408766,PC-id_77080166,EMOLS-id_49869184	355.434	SBSSJMDFPXATHT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081832
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)C(=O)NC(C)(C)C	MCULE-8053545475,EMOLS-id_257960539	355.434	PVXQARUIFAIPBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081833
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(nc1)OC1CCCC1	EMOLS-id_319615300	355.434	KVFDPPCUFJXIAM-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081834
O=C(C1CCn2c(CC1)nnc2)N(Cc1ccncc1)CC1CCCO1	EMOLS-id_316543491	355.434	FRJWNBLJOLKSGQ-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081835
O=C(c1nnc2n1CCCCC2)N1CCC[C@H](OCc2ccccn2)C1	ZINC22_1506406471	355.434	IZBAMFOENCIPDY-INIZCTEOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081836
O=C(c1nnc2n1CCCCC2)N1CCC[C@@H](OCc2ccccn2)C1	ZINC22_1506406762	355.434	IZBAMFOENCIPDY-MRXNPFEDSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081837
O=C(c1nnc2n1CCCCC2)N(Cc1ccccn1)C[C@@H]1CCCO1	PC-id_99928021	355.434	NTZOJTRFGLIDNI-INIZCTEOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081838
O=C(c1nnc2n1CCCCC2)N(Cc1ccccn1)C[C@H]1CCCO1	PC-id_99928022	355.434	NTZOJTRFGLIDNI-MRXNPFEDSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081839
O(CC1NNC(C1)C(=O)N1CCCn2nc(cc2C1)C)c1ccccc1	PC-id_76407470	355.434	UPCMVDWALABNTN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-081840
O=C(c1n[nH]c2c1CCC2)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1	PC-id_100040114,ZINC22_219381914	355.434	JADXOTDVXXUPDU-SFHVURJKSA-N	00001010100000000101000010000010000000000000000000000000	31-01-081841
O=C(c1n[nH]c2c1CCC2)N1CCCn2nc([C@H](O)C3CCC3)cc2C1	PC-id_100040116,ZINC22_219381997	355.434	JADXOTDVXXUPDU-GOSISDBHSA-N	00001010100000000101000010000010000000000000000000000000	31-01-081842
O=C(c1noc2c1CCCCC2)N1CCC[C@H]1Cn1cc(C2CC2)nn1	MCULE-6915013565,EMOLS-id_72960449,PC-id_120949834,ZINC22_299745850	355.434	SWCGIEGTSHSTKG-AWEZNQCLSA-N	00100010100000000101100000000010000000000000000000000000	31-01-081843
O=C(CCc1ccc[nH]1)N1CCCn2ncc(C(=O)N3CCCC3)c2C1	ZINC22_1565545426,EMOLS-id_313772492	355.434	IBLRRSSPDFNWTB-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-081844
O=C(C(N1CCCc2c(C1)cco2)C)N1CCN(CC1)c1ncccn1	EMOLS-id_177309631,MCULE-2798029112	355.434	HDIDPJLPZBOCFC-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-081845
O=C(CO[C@@H]1CN(Cc2ccncc2)Cc2ccnn2C1)N1CCCC1	ZINC22_247739392	355.434	NEABVTLJRBDQDE-GOSISDBHSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081846
O=C(CO[C@H]1CN(Cc2ccncc2)Cc2ccnn2C1)N1CCCC1	ZINC22_247739396	355.434	NEABVTLJRBDQDE-SFHVURJKSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081847
O[C@@H](c1ccccn1)C1CCN(CC1)C(=O)c1nnc2n1CCCCC2	PC-id_99927989	355.434	SBSSJMDFPXATHT-QGZVFWFLSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081848
O[C@H](c1ccccn1)C1CCN(CC1)C(=O)c1nnc2n1CCCCC2	PC-id_99927990	355.434	SBSSJMDFPXATHT-KRWDZBQOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081849
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(nc1)OC1CCCC1	EMOLS-id_101944818	355.434	QSIKDAXLWGEACN-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081850
O=C(N1CCCn2c(C1)c(COCC1CC1)nn2)NCc1ccccc1	PC-id_97405198	355.434	GLCZIPBYLXEGNL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081851
O=C(N1CC(CN2CCCC2)Cn2ccnc2C1)c1cc(on1)C1CC1	EMOLS-id_313724893	355.434	HDXRPDRVLGDDIE-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-081852
O=C(N1CCCn2nc(cc2C1)CNC(=O)C(N)Cc1ccccc1)C	PC-id_78080743	355.434	BDTPDWWMCVTFFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081853
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(O)cccc1	PC-id_46691913	355.434	JAROQOKVEWESGV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081854
O=C(Nc1cccnc1)CCN1CCCn2c(C1)cc(n2)[C@H](C1CC1)O	PC-id_100172516	355.434	LSQONGAEUGALNV-IBGZPJMESA-N	00100000100000101101000000000010000000000000000000000000	31-01-081855
O=C(N(Cc1c(OCC)cccc1)CC=C)C1CCCCn2nnnc12	PC-id_50970398	355.434	YPZMLQWHCSDZME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081856
O=C(N(Cc1c(OCC)cccc1)CC=C)[C@@H]1CCCCn2nnnc12	PC-id_52392880	355.434	YPZMLQWHCSDZME-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081857
O=C(N(Cc1c(OCC)cccc1)CC=C)[C@H]1CCCCn2nnnc12	PC-id_52392881	355.434	YPZMLQWHCSDZME-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081858
O=C(NCc1n2CCCCCc2nn1)CCNC(=O)c1c(cccc1)C	PC-id_51266381	355.434	MAAPWZRGEGFZOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081859
O=C(NCc1n2CCCCCc2nn1)CCNC(=O)Cc1ccccc1	PC-id_24676730	355.434	BFABALOXADBPDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081860
O=C(NCCc1n2CCCCCc2nn1)c1cc(NC(=O)CC)ccc1	PC-id_55823279	355.434	PKPSIQYMDWVLDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081861
O=C(NCCc1n2CCCCCc2nn1)CCNC(=O)c1ccccc1	PC-id_51304470	355.434	BTNRBUOJQTYNPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081862
O=C(NCCc1n2CCCCCc2nn1)CNC(=O)c1c(cccc1)C	PC-id_55535771	355.434	OGUBEGROWXIJCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081863
c1(c(C)nc(NC(=O)C)s1)S(=O)(=O)N1CCCn2cncc2C1	PC-id_56901127,EMOLS-id_43133397,MCULE-9771859233,ZINC22_72143932	355.436	MJWCOKSVRIDBPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081864
Cc1c(c(nn1C)C)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625666	355.436	WXTHBNUXHXINPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081865
CC(C)n1cc(nc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625683	355.436	GLZOHCMGNMUQOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081866
CC(=O)NCc1ccc(s1)S(=O)(=O)N1CCCn2c(C1)cnn2	MCULE-5566803432,EMOLS-id_320087293	355.436	UDJKZADFWDYIQI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-081867
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3cscn3)cc2C1	MCULE-3197322354,PC-id_70776055,ZINC22_82147986,EMOLS-id_44448417	355.436	ILHSBSKBHMJNKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081868
CS(=O)(=O)NCC1CN(Cc2ccnn2C1)C(=O)c1cscn1	EMOLS-id_50372513	355.436	NIKLMGGTVBBCPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081869
CS(=O)(=O)NC[C@H]1CN(C(=O)c2cscn2)Cc2ccnn2C1	ZINC22_247526518	355.436	NIKLMGGTVBBCPL-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-081870
CS(=O)(=O)NC[C@@H]1CN(C(=O)c2cscn2)Cc2ccnn2C1	ZINC22_247526523	355.436	NIKLMGGTVBBCPL-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081871
n12CCCCCc1nnc2C(=Cc1ccc(Nc2ccccc2)cc1)C#N	PC-id_84913787	355.436	SZYIFPLIQDJHQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081872
n12CCCCCc1nnc2/C(=C/c1ccc(Nc2ccccc2)cc1)/C#N	PC-id_9045359	355.436	SZYIFPLIQDJHQO-OBGWFSINSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081873
c12CN(CCCn1nc(CNc1cc(C)nc(N)n1)c2)C(=O)C1CCC1	MCULE-6303455884,EMOLS-id_44443023,PC-id_70760492,ZINC22_82133964	355.437	SQRWJOWZBWXORE-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-081874
c12CN(CCCn1nc(CNc1ncnc3CCCc13)c2)C(=O)N(C)C	MCULE-7992756040,PC-id_70762075,ZINC22_82134563,EMOLS-id_44443533	355.437	GYELRZCPVNSRSY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081875
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3nccn3CC)C2)n1	EMOLS-id_55687391,PC-id_91789530,MCULE-4914345614	355.437	RFGIODGBIHXMDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081876
Cc1cccc(c1)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183195	355.437	JVFRQPHRLCNQSO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081877
CC1CCCN(C1)c1nccc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102176480	355.437	VSVGFBUFIDICMY-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-081878
CC1CCN(CC1)c1ccc(cn1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102160387	355.437	JTJNNEKWDHEBNV-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-081879
Cc1cnc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cn1	CoCoCo_4639086,ZINC22_22700135,PC-id_30545850,EMOLS-id_44056345,MCULE-9098651427	355.437	OYAWWSARBPFMKZ-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-081880
Cc1ncnc(C(=O)N2CCCn3nnc(CN4CCCC4)c3C2)c1C	ZINC22_1565554749,EMOLS-id_313732314	355.437	YZAGUYSTQAZTKI-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-081881
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccc(nn1)C1CC1	EMOLS-id_101240312	355.437	WCQQQFMLXZCCMV-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-081882
CCn1ccnc1CN1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1	ZINC22_223080346,PC-id_100189398	355.437	RFGIODGBIHXMDM-GOSISDBHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081883
CCn1ccnc1CN1CCCn2nc([C@H](O)c3ccnn3C)cc2C1	ZINC22_230534658	355.437	RFGIODGBIHXMDM-SFHVURJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081884
CN1CCC(C1)NC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	EMOLS-id_232866731,MCULE-4258754312	355.437	JALDDWIBUBZQCN-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081885
CN1CC[C@H](NC(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)C1	ZINC22_823755220	355.437	JALDDWIBUBZQCN-HNNXBMFYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081886
CN1CC[C@@H](NC(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)C1	ZINC22_823755222	355.437	JALDDWIBUBZQCN-OAHLLOKOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-081887
CN1CCN(C(C1)c1ccccc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183168	355.437	SZPVJQNOULTMTE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081888
n12CCCNCc1cc(CNC1CCN(CC1)C(=O)c1cnccn1)n2	EMOLS-id_44434977,ZINC22_82108871,MCULE-1998643970,PC-id_70737384	355.437	OOADTRLKRVALCQ-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-081889
n1c(CN2CCN(CC2)c2ncccc2C(=O)N)cc2CNCCCn12	EMOLS-id_43111023,PC-id_56895208,ZINC22_72152545,MCULE-7088487672	355.437	KXBMPVYYMQOZFD-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-081890
n1c(CNC(=O)N2CCN(CC2)c2cnccn2)c2c(CCCCC2)[nH]1	MCULE-5650764834,ZINC22_426545447,EMOLS-id_177448149,PC-id_121505737	355.437	RMPLHLPGFYWICW-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-081891
O=C(c1ccc(nc1)N1CCCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102160354	355.437	YBPIRPQGRLFIRM-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-081892
O=C(C1CCn2c(CC1)nnn2)NC1CCN(CC1)Cc1ccncc1	MCULE-5963064585,EMOLS-id_316881074	355.437	GMZYCMWNSSEBFZ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081893
O=C(N1CCCC1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_306132759	355.437	LRNVBEWJMIIIOM-HNNXBMFYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-081894
O=C(N1CCCC1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_306132760	355.437	LRNVBEWJMIIIOM-OAHLLOKOSA-N	00000010100000100101000000000010000000000000000000000000	31-01-081895
O=C(N1CCCC1)N1CC(CCNc2ncccn2)Cn2nccc2C1	EMOLS-id_50373611	355.437	LRNVBEWJMIIIOM-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-081896
O=C(N1CCC(CC1)Cc1cccnc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102167008	355.437	KRUUJEVZLRIUFY-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081897
O=C(N1CCCC(C1)Nc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102165154	355.437	SKALCTPVZPGOBP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081898
O=C(N1CCCCCC1c1ccncc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183375	355.437	GZEHDDAVLXLITP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-081899
O=C(N1CCCN(CC1)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102158926	355.437	YNKSXHUWSWIXAC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-081900
O=C(N1CCN(CC1)c1ccccc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102183135	355.437	ULADLJRPUNPJRH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081901
O=C(N1CCN(CC1)Cc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183057	355.437	DQIHKUILNPCWJR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-081902
O=C(Nc1ccccc1N1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102027265	355.437	BQVGYXHBMIWNOH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081903
O=C(NC1CCn2c(CC1)nnn2)NC1CCCN(C1)c1ccccc1	EMOLS-id_102178103	355.437	LPESGYWFCDNPLR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-081904
O=C(NC1CCN(Cc2ccncc2)CC1)[C@H]1CCc2nnnn2CC1	ZINC22_578633199	355.437	GMZYCMWNSSEBFZ-HNNXBMFYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081905
O=C(NC1CCN(Cc2ccncc2)CC1)[C@@H]1CCc2nnnn2CC1	ZINC22_578633200	355.437	GMZYCMWNSSEBFZ-OAHLLOKOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-081906
O/C(=N/Cc1nnc2n1CCCCC2)/C1CCN(c2cnccn2)CC1	ZINC22_329188841,MCULE-1948518985,EMOLS-id_98507387	355.437	PLUVNMQUSARNEL-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-081907
NC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1ncccn1	PC-id_119117495	355.441	VUGACEXBYSNHHU-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-081908
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCCCC2)c1C(=O)O	MCULE-7458793522	355.451	SAOHCZUMPWBNOT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081909
Cc1ccc(/C=C/C(=O)Nc2sc3CCCCCc3c2C(=O)O)cc1	PC-id_28860503,EMOLS-id_179129745	355.451	SAOHCZUMPWBNOT-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081910
O=C(Oc1cccc(NC(=O)C2CC2)c1)c1cc2c(s1)CCCCC2	EMOLS-id_37002629,PC-id_56796124,ZINC22_71804994,MCULE-3644647802	355.451	DVLZUDGNFLZHTG-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-081911
s1c2CCCCCc2cc1C(=O)OCC(=O)N1CCc2c1cccc2	PC-id_7352106	355.451	OZYOBXUXGSNOCJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-081912
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccccc1)C(=O)OC	PC-id_4294306	355.451	IRDXIHMVPGRGLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081913
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccccc1)C(=O)OC	PC-id_6060745	355.451	IRDXIHMVPGRGLX-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081914
S1(=O)(=O)NCc2n(CC1)c(Sc1cc(F)ccc1)c(n2)C(C)C	PC-id_69949490	355.451	FVADVIDXZDOZAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081915
CCS(=O)(=O)N1CCC(CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111824512	355.452	ZVAYQISKLHITEX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081916
CCS(=O)(=O)NC1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111417715	355.452	CJUACLWWZZCSSH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081917
CN(C(=O)c1noc2c1CCCCC2)C1CCN(CC1)S(=O)(=O)C	EMOLS-id_111879970	355.452	WDGPFAVZXZJEOZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081918
CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	ZINC22_2055708072	355.452	DCHVZYODTAEPNG-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-081919
CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_2055708073	355.452	DCHVZYODTAEPNG-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-081920
CS(=O)(=O)CCC(=O)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_313722075	355.452	DCHVZYODTAEPNG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-081921
CS(=O)(=O)CC(=O)N1Cc2cncn2C[C@H](COCC2CCC2)C1	ZINC22_96208736,PC-id_97476863	355.452	SMKDHYZKAYNPJD-CQSZACIVSA-N	00001000100000000101000000000010000000000000000000000000	31-01-081922
CS(=O)(=O)CC(=O)N1Cc2cncn2C[C@@H](COCC2CCC2)C1	ZINC22_96208737,PC-id_97476864	355.452	SMKDHYZKAYNPJD-AWEZNQCLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-081923
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)NCC1CCOCC1	EMOLS-id_317416539,MCULE-6954920767	355.452	QTTFJTMGZVWFQZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081924
O=C(c1noc2c1CCCCC2)N1CCCCC1CNS(=O)(=O)C	EMOLS-id_111825336	355.452	XWVXIOYLPSPCLV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081925
O=C(c1noc2c1CCCCC2)N1CCCC(C1)CNS(=O)(=O)C	EMOLS-id_111825715	355.452	MSRFALSYLIVWSS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081926
O=C(c1noc2c1CCCCC2)N1CCC(CC1)N(S(=O)(=O)C)C	EMOLS-id_111417252	355.452	YHCICIUEJCESEJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081927
O=C(c1noc2c1CCCCC2)NCC1CCN(CC1)S(=O)(=O)C	EMOLS-id_111406351	355.452	PPLKXVRZMRAOKR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081928
OC(=O)CCc1cc2CN(CC3CCCS(=O)(=O)C3)CCCn2n1	MCULE-4956429209,PC-id_56903018,EMOLS-id_43138846	355.452	JLCBUVOEUMLXBR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081929
OC(=O)CCc1cc2CN(CCC3CCS(=O)(=O)C3)CCCn2n1	PC-id_56886357,MCULE-4572886169,EMOLS-id_43074669	355.452	PTYBFHDTHFOMQG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081930
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O=C(O)CCc1cc2n(n1)CCCN(CC[C@H]1CCS(=O)(=O)C1)C2	PC-id_95874697,ZINC22_72435597	355.452	PTYBFHDTHFOMQG-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081932
O=C(O)CCc1cc2n(n1)CCCN(C[C@@H]1CCCS(=O)(=O)C1)C2	ZINC22_72447150	355.452	JLCBUVOEUMLXBR-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081933
O=C(O)CCc1cc2n(n1)CCCN(C[C@H]1CCCS(=O)(=O)C1)C2	ZINC22_72447151	355.452	JLCBUVOEUMLXBR-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081934
OC(=O)CCCN1CCc2c(CC1)nc(s2)NC(=O)OC(C)(C)C	SCHEMBL15996422,PC-id_11394145	355.452	UNEWOFQNTIFEPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-081935
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1cc2c(cccc2)s1	EMOLS-id_43071307,MCULE-1239516647,ZINC22_72430243,PC-id_56885541	355.454	JTOXCTUYYHXXES-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081936
c1(cc2c(cc(cc2)OC)n1C)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323276434,MCULE-8539460045	355.454	QQIBCISRSROZDU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081937
c1(cc2c(ccc(OC)c2)n1C)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323283084,MCULE-7791377550	355.454	UFQHFHQWCGSCQG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081938
c1(C(=O)Nc2sc3c(CCCCC3)n2)c(C)c2c(ccc(OC)c2)[nH]1	MCULE-1119165431,EMOLS-id_323278212	355.454	ANNUSNJYENNGEJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081939
c1(NC(=O)CCN2Cc3c(cccc3)C2=O)sc2c(CCCCC2)n1	EMOLS-id_323325481,MCULE-8714525276	355.454	MINZPPFGQFUSFD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081940
c1(NC(=O)Cn2ccc3c(cccc23)OC)sc2c(CCCCC2)n1	MCULE-9092565033,EMOLS-id_323322437	355.454	SHSFSBDLIIYQSX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081941
c1(NC(=O)Cn2ccc3cc(OC)ccc23)sc2c(CCCCC2)n1	MCULE-2887267837,EMOLS-id_323327818	355.454	VFNYSQLIHRIMFI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081942
c1(NC(=O)COc2cccc3c2ccn3C)sc2c(CCCCC2)n1	EMOLS-id_323365094,MCULE-7296507445	355.454	MVFMHHOENAGXQP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-081943
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2ccccc2)C1	EMOLS-id_323416202,MCULE-8835028491	355.454	HSXHXUVMLZVCAN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-081944
C[C@H](N1Cc2ccccc2C1=O)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_323338517,MCULE-7756365276	355.454	JSENOEAMHBVWAO-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081945
CC(N(C(=O)c1noc2c1CCCCC2)C)c1nc2c(s1)cccc2	EMOLS-id_100936326	355.454	XKICHLNXEHDZIP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081946
CCN(C(=O)CN1CCCc2occc2C1)c1nc2ccccc2s1	MCULE-4528672686,ZINC22_585083958,EMOLS-id_177278089	355.454	YVTGUMGYZFASGC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-081947
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CCOC(c1cccc(n1)CSc1nc2-c(n1)ccccc2)OCC	PC-id_139631106	355.454	SGXMYTBNSWYWGJ-UHFFFAOYSA-N	00000010100000101111000000000010000000000000000000000000	31-01-081950
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N#Cc1c(NC(=O)c2oc(nc2C)C2CC2)sc2c1CCCCCC2	EMOLS-id_99554387	355.454	QAYBIRQJOGQMGK-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-081961
N#Cc1c(NC(=O)CCN2CCCc3c(C2)cco3)sc2c1CCC2	EMOLS-id_99338755	355.454	ABOGTMYIGKVGQQ-UHFFFAOYSA-N	00000010100000000100000010000010000000000000000000000000	31-01-081962
N#Cc1c(NC(=O)C(N2CCCc3c(C2)cco3)C)sc2c1CCC2	EMOLS-id_99343117	355.454	KEZCPKPDBMHUTG-UHFFFAOYSA-N	00000010100000000100000010000010000000000000000000000000	31-01-081963
O=C1CCC(N1)c1ccccc1NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_316777996	355.454	YGXJUTOZHRYHQK-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-081964
O=C1NCCN1c1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_97737621	355.454	BTLMGWHUHYDKGA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-081965
O=C(c1cc2c(s1)CCCCC2)Nc1ccc2c(c1)CCN2C(=O)N	EMOLS-id_97885544	355.454	SIUXSWNOMQIMSG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-081966
O=C(c1ccc2c(c1)C(C)(C)C(=O)N2)Nc1nc2c(s1)CCCCC2	EMOLS-id_100604464	355.454	JWZKBKYPDDFBPV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081967
O=C(c1ccc2c(c1)NC(=O)C2(C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_98026470	355.454	GTCKVADBFPDBTA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081968
O=C(c1ccc(cc1)C(=O)NC1CC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98100828	355.454	PDWGESHZLICQPG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081969
O=C(C1ON=C(C1)c1ccccc1)Nc1sc2c(n1)CCCCCC2	MCULE-5774846772,PC-id_75417039,EMOLS-id_48221206	355.454	NLLDYBPPLQSODI-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-081970
O=C(/C=Cc1ccccc1)NCC(=O)Nc1nc2c(s1)CCCCC2	CoCoCo_4758689	355.454	IRCAFSINQMMJKP-QXMHVHEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081971
O=C(C=Cc1ccccc1)NCC(=O)Nc1nc2c(s1)CCCCC2	PC-id_72053858,MCULE-7499828124,EMOLS-id_26241092	355.454	IRCAFSINQMMJKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081972
C(OCc1cccnc1)C1CN(Cc2nccs2)Cc2nccn2C1	EMOLS-id_46148495	355.457	FPODUNACVIQHCY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082033
O=C(/C=C/c1ccccc1)NCC(=O)Nc1nc2c(s1)CCCCC2	ZINC22_12552512,CoCoCo_4758688,PC-id_25353250	355.454	IRCAFSINQMMJKP-VAWYXSNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081973
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(N2CCCC2=O)cc1	EMOLS-id_25653782,CoCoCo_4546121,MCULE-4969178656,PC-id_25540510,ZINC22_12827602	355.454	JJRFVVMWHSYUDR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-081974
O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1CC(=NO1)c1ccccc1	PC-id_97196855,ZINC22_95369454	355.454	NLLDYBPPLQSODI-INIZCTEOSA-N	00000011100000110101100000000010000000000000000000000000	31-01-081975
O=C(Nc1nc2c(s1)CCCCCC2)[C@H]1CC(=NO1)c1ccccc1	PC-id_97196856,ZINC22_95369455	355.454	NLLDYBPPLQSODI-MRXNPFEDSA-N	00000011100000110101100000000010000000000000000000000000	31-01-081976
O=C(Nc1sc2c(n1)CCCCCC2)Cc1ccc2c(c1)NC(=O)C2	EMOLS-id_99324448	355.454	JSVXZQLURWAERC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-081977
O=C(NCc1ccccc1)c1nc2CCN(CCc2s1)C(=O)C1CC1	ZINC22_1142677291,EMOLS-id_313791545	355.454	OIJZNKZZCLQNDP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-081978
s1c2CCCCCc2cc1C(=O)Nc1cc(N2CCNC2=O)ccc1	PC-id_52251040	355.454	IFDJMMXVUOUGDA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-081979
s1c2CCCCCc2c(c1NC(=O)Nc1ccc(OCC)cc1)C#N	PC-id_4607328	355.454	BLIWZKAUVSJIPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-081980
s1c2CCCCCCc2nc1NC(=O)C(Oc1ccc(cc1)C#N)C	PC-id_56021848	355.454	NEKHDTYLBOSOSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081981
s1c2CCCCCCc2nc1NC(=O)C(Oc1cc(ccc1)C#N)C	PC-id_56070703	355.454	HTEKPAAEEJRWBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-081982
CCC(c1nnc2n1CCCCC2)NC(=O)C1CN(C1)S(=O)(=O)C	EMOLS-id_278568234	355.456	MDPUOJZNTGFQRG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-081983
CN(C)S(=O)(=O)N1CCc2ncc(CNC(=O)C3CCC3)n2CC1	EMOLS-id_313781192,ZINC22_2055772747	355.456	XFPZKRIDQKFXFY-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-081984
CN(C)S(=O)(=O)NCc1cc2CN(CCCn2n1)C(=O)C1CCC1	PC-id_70745530,ZINC22_82116320,MCULE-2481363295,EMOLS-id_44437887	355.456	CCKNPUBEKLQPPO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-081985
CS(=O)(=O)N1CCCn2nc(CNC(=O)N3CCCCC3)cc2C1	EMOLS-id_44450177,MCULE-7137350979,ZINC22_82157771,PC-id_70781221	355.456	GREMDVXTKDPURW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081986
CS(=O)(=O)N1CCCn2nc(CNC(=O)NC3CCCC3)cc2C1	EMOLS-id_44441663,ZINC22_82126318,PC-id_70756466,MCULE-1699435131	355.456	JIJXNEHKCPNLSL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081987
CS(=O)(=O)NCC1CCn2nccc2CN1CC(=O)N1CCCC1	EMOLS-id_313817640	355.456	CINODSGLRIWRFX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081988
CS(=O)(=O)NCC[C@@H]1CN(C(=O)N2CCCC2)Cc2ccnn2C1	ZINC22_306145093	355.456	ZXXNRQDORZWDTC-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081989
CS(=O)(=O)NCC[C@H]1CN(C(=O)N2CCCC2)Cc2ccnn2C1	ZINC22_306145094	355.456	ZXXNRQDORZWDTC-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081990
CS(=O)(=O)NC[C@H]1CCn2nccc2CN1CC(=O)N1CCCC1	ZINC22_585096760	355.456	CINODSGLRIWRFX-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081991
CS(=O)(=O)NC[C@@H]1CCn2nccc2CN1CC(=O)N1CCCC1	ZINC22_585096761	355.456	CINODSGLRIWRFX-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081992
NS(=O)(=O)CC1CCN(C1)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-7403261426,PC-id_121509050,EMOLS-id_177474610	355.456	JHNDBAWAFSAGLM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081993
NS(=O)(=O)C[C@@H]1CCN(C(=O)NCc2n[nH]c3c2CCCCC3)C1	ZINC22_426618104	355.456	JHNDBAWAFSAGLM-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-081994
NS(=O)(=O)C[C@H]1CCN(C(=O)NCc2n[nH]c3c2CCCCC3)C1	ZINC22_426618105	355.456	JHNDBAWAFSAGLM-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-081995
O=C(C1CN(C1)S(=O)(=O)C)NCCCc1nnc2n1CCCCC2	EMOLS-id_258046835	355.456	GBULQMCSXIVAIB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-081996
O=C(N1CC(C)S(=O)(=O)C(C1)C)NCc1nnc2n1CCCCC2	EMOLS-id_99625398	355.456	CKBLMMZBSVGCKT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081997
O=C(NCC1CCCCS1(=O)=O)NCc1nnc2n1CCCCC2	EMOLS-id_99341059	355.456	NFMBIYXXHQZURN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081998
S(=O)(=O)(N1CCC(CC1)C(=O)NCc1n2CCCCCc2nn1)C	PC-id_51320961	355.456	ZQJAKUVPHWVNQB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-081999
c1ccc(COC[C@H]2CN(Cc3nccs3)Cc3nccn3C2)nc1	PC-id_97381816,ZINC22_96059163	355.457	FOBFVASPPWJHFG-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082000
c1ccc(COC[C@@H]2CN(Cc3nccs3)Cc3nccn3C2)nc1	PC-id_97381817,ZINC22_96059164	355.457	FOBFVASPPWJHFG-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082001
c1cncc(COC[C@H]2CN(Cc3nccs3)Cc3nccn3C2)c1	ZINC22_96059145,PC-id_97381798	355.457	FPODUNACVIQHCY-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082002
c1cncc(COC[C@@H]2CN(Cc3nccs3)Cc3nccn3C2)c1	ZINC22_96059146,PC-id_97381799	355.457	FPODUNACVIQHCY-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082003
c1(CN(C)C(=O)Nc2ccc3c(c2)ncs3)c2CCCCCc2[nH]n1	MCULE-6202445303,PC-id_72919473,ZINC22_96163622,EMOLS-id_49171368	355.457	MIPYZKAMIOEGEL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082004
c1(C(=O)NCc2c3CCCCCc3[nH]n2)cc(n(C)n1)c1cccs1	MCULE-2505805683,ZINC22_218990136,PC-id_91767091,EMOLS-id_55622744	355.457	DNRGKOIJIYDLGW-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-082005
Cc1c2c(nc(cc2C(=O)Nc2sc3c(CCCCC3)n2)C)n(C)n1	EMOLS-id_110529128,MCULE-9824175356,PC-id_16622900	355.457	DBGGESCGVYOPAO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082006
Cc1cc2n(n1)c(C)c(cn2)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98550992	355.457	BMIAXBBQNXUJJO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082007
Cc1ccc2c(c1)c(ns2)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_97974856	355.457	MJLZJMVSGUCKJE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082008
Cc1ccc(c2nnc([C@@H](C)Sc3nnc4n3CCCCC4)o2)cc1	ZINC22_7081608,PC-id_8211696,CoCoCo_4013267	355.457	AEEGMTAHJBSEQI-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082009
Cc1ccc(c2nnc([C@H](C)Sc3nnc4n3CCCCC4)o2)cc1	ZINC22_7081613,CoCoCo_4013266,PC-id_8211700	355.457	AEEGMTAHJBSEQI-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082010
Cc1cccc(c1)c1nnc(o1)C(Sc1nnc2n1CCCCC2)C	MCULE-2671811318,EMOLS-id_11821165,PC-id_16370757	355.457	KLILZWYJCOEYKU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082011
Cc1ccc(cc1)c1nnc(o1)C(Sc1nnc2n1CCCCC2)C	PC-id_16375046,EMOLS-id_11830031,MCULE-8633809866	355.457	AEEGMTAHJBSEQI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082012
Cc1cccc(c2nnc([C@H](C)Sc3nnc4n3CCCCC4)o2)c1	CoCoCo_4013256,ZINC22_9592116,PC-id_41137680	355.457	KLILZWYJCOEYKU-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082013
Cc1cccc(c2nnc([C@@H](C)Sc3nnc4n3CCCCC4)o2)c1	ZINC22_9592114,PC-id_41137679,CoCoCo_4013257	355.457	KLILZWYJCOEYKU-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082014
Cc1ccc(CN2CCc3nnc(COc4ccccn4)n3CC2)s1	EMOLS-id_46148053,ZINC22_96058878,PC-id_97381535	355.457	GZWULYQNKLUARQ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-082015
Cc1cc(C)n2c(n1)c(C(=O)Nc1nc3c(s1)CCCCC3)c(n2)C	EMOLS-id_110315285	355.457	ULJRCWYFZNEUKY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082016
Cc1cc(C(=O)Nc2sc3c(n2)CCCCCC3)c2c(n1)n(C)nc2	EMOLS-id_111544382	355.457	AEFZMTUXSYYHSO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082017
Cc1ccc(s1)CN1CCCn2c(C1)c(COc1ccccn1)nn2	PC-id_97405216	355.457	MDVHXFCCZOUWCV-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-082018
Cc1ccc(s1)CN1CCCn2c(C1)c(COc1cccnc1)nn2	PC-id_97413557	355.457	WJXPYTPNIICGIX-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-082019
Cc1ccnc(OCC2CN(Cc3cccs3)Cc3cncn3C2)n1	EMOLS-id_49237567	355.457	QGNPITZUZVBVCQ-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-082020
Cc1ccnc(OC[C@H]2CN(Cc3cccs3)Cc3cncn3C2)n1	PC-id_97486025,ZINC22_96219041	355.457	QGNPITZUZVBVCQ-HNNXBMFYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-082021
Cc1ccnc(OC[C@@H]2CN(Cc3cccs3)Cc3cncn3C2)n1	PC-id_97486027,ZINC22_96219044	355.457	QGNPITZUZVBVCQ-OAHLLOKOSA-N	00000000100100100101000000000010000000000000000000000000	31-01-082022
Cc1nc(CN2Cc3cncn3C[C@H](COc3ccccn3)C2)cs1	PC-id_97476138,ZINC22_96208011	355.457	PHBCXYQVQSPNLI-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082023
Cc1nc(CN2Cc3cncn3C[C@@H](COc3ccccn3)C2)cs1	PC-id_97476139,ZINC22_96208012	355.457	PHBCXYQVQSPNLI-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082024
Cc1nc(CN2CC(COc3ccccn3)Cn3cncc3C2)cs1	EMOLS-id_49231029	355.457	PHBCXYQVQSPNLI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082025
Cc1ncsc1CN1CCc2nn(Cc3ccccc3)c(=O)n2CC1	PC-id_91910704,MCULE-4715419399,EMOLS-id_50585989	355.457	FHDRZFNIUMPLAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082026
Cc1nnc2CCC(CCn12)NC(=O)CCc1nc2ccccc2s1	EMOLS-id_50590205,PC-id_91922573,MCULE-4019107749	355.457	QTQWBRNWIQEJDD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082027
CCc1ccc(c2noc(CSc3nnc4n3CCCCC4)n2)cc1	CoCoCo_4013246,ZINC22_7081559,EMOLS-id_3703724,PC-id_8211646,MCULE-4660355014	355.457	OVHQZZNPZJEFRL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082028
CN(C(=O)C1CCc2n(CC1)cnn2)C(c1nc2c(s1)cccc2)C	EMOLS-id_316538232	355.457	OYCHBDXQIUSCRU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082029
COc1ccc(c2nc(CN[C@H]3CNCc4ccnn4C3)cs2)cc1	ZINC22_2325787278	355.457	PKCTVWNPYBIJCD-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082030
COc1ccc(c2nc(CN[C@@H]3CNCc4ccnn4C3)cs2)cc1	ZINC22_2325787279	355.457	PKCTVWNPYBIJCD-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082031
C(OCc1ccccn1)C1CN(Cc2nccs2)Cc2nccn2C1	EMOLS-id_46148513	355.457	FOBFVASPPWJHFG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082032
N#Cc1c(NC(=O)CN2CCCc3c2c[nH]n3)sc2c1CCCCC2	EMOLS-id_100957527	355.457	UUWMBRSRWYIVNG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-082034
O=C(c1cnc2c(c1)c(C)nn2C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110495411	355.457	HNEYPBBROYGIMY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082035
O=C([C@@H]1CSC(=N1)c1ccccc1)NCc1nnc2n1CCCCC2	EMOLS-id_316483068	355.457	GXULJACBGRHDDW-AWEZNQCLSA-N	00000011100000110101100000000010000000000000000000000000	31-01-082036
O=C(CSc1nnc2n1CCCCC2)N1CCC(=N1)c1ccccc1	CoCoCo_3082285,PC-id_7877630,MCULE-7894597749,EMOLS-id_3662052,ZINC22_6098459	355.457	BOIZNWCATWBNOS-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-082037
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1nc(ccc1)C)C)C1CC1	PC-id_74794892	355.457	VWXGQNUVKREGGT-UHFFFAOYSA-O	00100000100000101101000000000010000000000000000000000000	31-01-082038
O=C(NCc1nn2c(c1)CNCCC2)CCc1nc2c(s1)cccc2	PC-id_74244406,EMOLS-id_49668090,MCULE-2736025753	355.457	SNEYZTNMCNUHNN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082039
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1nc(ccc1)C)C)C1CC1	PC-id_42398194	355.457	VWXGQNUVKREGGT-CQSZACIVSA-O	00100000100000101101000000000010000000000000000000000000	31-01-082040
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1nc(ccc1)C)C)C1CC1	PC-id_42398195	355.457	VWXGQNUVKREGGT-AWEZNQCLSA-O	00100000100000101101000000000010000000000000000000000000	31-01-082041
s1c(nc2c1cccc2)CCC(=O)NCc1n2CCCCCc2nn1	PC-id_51266248	355.457	GWOWOYCMTXEELR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082042
S(c1n2CCCCCc2nn1)CC(=O)N(CCC#N)c1ccccc1	PC-id_7877385	355.457	KNRJLPIFFRIYFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082043
S(Cc1n2CCCCCc2nn1)c1n(c2c(n1)cccc2)C(=O)CC	PC-id_23827487	355.457	VHWQEUJZFZVFPM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082044
c1cnc(NCC[C@H]2CN(Cc3nccs3)Cc3ccnn3C2)nc1	ZINC22_306129440	355.461	IDJKNUHZUBQVNX-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082045
c1cnc(NCC[C@@H]2CN(Cc3nccs3)Cc3ccnn3C2)nc1	ZINC22_306129441	355.461	IDJKNUHZUBQVNX-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082046
CC1CCc2nnc(n2N=C1C)Sc1cc2c(cc1C)[nH]c(n2)NC	PC-id_91428647	355.461	OFLURLCFBSFUOY-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-082047
Cc1ncsc1CN1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_306144137	355.461	YXBWSYIMJMGGFO-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082048
Cc1ncsc1CN1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_306144138	355.461	YXBWSYIMJMGGFO-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082049
Cc1ncsc1CN1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50375313	355.461	YXBWSYIMJMGGFO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082050
CC(C)COc1ccc(C(C)(C)C(=O)N2CCCc3occc3C2)cc1	ZINC22_1129443653	355.471	QLMABMHVFVYQBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082051
CCOC(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C=[N+](C(C)(C)C)[O-]	PC-id_12043187,SCHEMBL5711159	355.471	YNXLFGPYNCBKOR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-082052
CC(=O)OC(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)C(C)C	PC-id_102029976	355.471	YZIXLTCDSGPUCJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-082053
OC1C(CCCCCCCc2n(cc1c2)Cc1ccccc1)C(=O)OC	PC-id_10522194	355.471	ZIBDSVDEWQDOSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082054
O(C(=O)c1c2-c(c(c1)C=CC(NO)(C)C)cc(C(C)C)ccc2C)CC	PC-id_53917108	355.471	IHUZJZUEGGRLIZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-082055
[O-]/[N+](=C/c1c2-c(c(c1)C(=O)OCC)c(ccc(C(C)C)c2)C)/C(C)(C)C	PC-id_20587626	355.471	YNXLFGPYNCBKOR-YDZHTSKRSA-N	00000010100000000110000000000010000000000000000000000000	31-01-082056
CC(c1ccc2-c1ccccc2)NCCCc1ccc(o1)c1ccccc1	PC-id_68814162,SCHEMBL3853009	355.472	YORZJLFBDFCQMV-UHFFFAOYSA-N	00000010101000110110100000000010000000000000000000000000	31-01-082057
O1C(CCCCCCCC)COCCOCc2nc([nH]n2)COCC1	PC-id_13905965	355.472	RRZKQZDDUBFGDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082058
s1c2c(CCCCC2)c(c1NC(=O)CSC(=O)C)C(=O)OCC	PC-id_16949157	355.472	WKSXKMXYNUJTSK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-082059
c1(C(O)C2CCC2)cc2n(CCCN(CCOCc3ccccc3)C2)n1	MCULE-6157332160,EMOLS-id_55641920,PC-id_91773840	355.474	BMBCZPKLYKALIS-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-082060
c1(C(=O)Nc2ccc(cc2)OCCCCCC)c2CCCCCc2[nH]n1	EMOLS-id_335116841,MCULE-3702777890	355.474	WHFRVFIJIWSPNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082061
c1(C(=O)NCCOc2cc(C)ccc2C(C)C)c2CCCCCc2[nH]n1	EMOLS-id_323248821,MCULE-1563745390	355.474	KLVGICCFNYYXOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082062
CC1(CCC=CC1)C(=O)N1CCc2ccc(C(=O)NCC3CC3)n2CC1	EMOLS-id_313773007	355.474	FDOZCWPSZQJKIB-UHFFFAOYSA-N	00100000100011000101000000000010000000000000000000000000	31-01-082063
Cc1cccc(COC2CN(CC3CCOCC3)Cc3cccn3C2)n1	EMOLS-id_50011700	355.474	MFFVHQTVKIVILS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082064
Cc1cccc(CO[C@H]2CN(CC3CCOCC3)Cc3cccn3C2)n1	ZINC22_247873025	355.474	MFFVHQTVKIVILS-NRFANRHFSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082065
Cc1cccc(CO[C@@H]2CN(CC3CCOCC3)Cc3cccn3C2)n1	ZINC22_247873026	355.474	MFFVHQTVKIVILS-OAQYLSRUSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082066
Cc1cccc(CO[C@@H]2CN(C(=O)CCC(C)C)Cc3cccn3C2)n1	ZINC22_575403560	355.474	GXSYFSFXXWBLPC-FQEVSTJZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082067
Cc1cccc(CO[C@H]2CN(C(=O)CCC(C)C)Cc3cccn3C2)n1	ZINC22_575403561	355.474	GXSYFSFXXWBLPC-HXUWFJFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082068
C[C@@]1(C(=O)N2CCc3ccc(C(=O)NCC4CC4)n3CC2)CC=CCC1	ZINC22_1565545292	355.474	FDOZCWPSZQJKIB-OAQYLSRUSA-N	00100000100011000101000000000010000000000000000000000000	31-01-082069
C[C@]1(C(=O)N2CCc3ccc(C(=O)NCC4CC4)n3CC2)CC=CCC1	ZINC22_1614927263	355.474	FDOZCWPSZQJKIB-NRFANRHFSA-N	00100000100011000101000000000010000000000000000000000000	31-01-082070
CC(c1cc(C(C)C)c(c(c1)C(=O)N1CCCc2c(C1)cnn2C)O)C	EMOLS-id_101669251	355.474	FGDRQYIXSLMPGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082071
CCCc1ccc(cc1)C(=O)N1CCCn2c(C1)c(COC(C)C)nc2	PC-id_97520013	355.474	RMTOZPQRGBCZCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082072
CC(C)CCC(=O)N1CC(Cn2cccc2C1)OCc1cccc(C)n1	EMOLS-id_55751491	355.474	GXSYFSFXXWBLPC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082073
CCC(CN(C(=O)c1cnc2n1CCCCC2)Cc1ccccc1)(O)C	EMOLS-id_318164902	355.474	GDLHDASEDHGUIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082074
CCC(n1nnc2c1CCCCCC2Cc1ccc(cc1)C(=O)OC)C	SCHEMBL20998960,PC-id_138632062	355.474	FCMZFZQHRBBUGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082075
CCCOc1ccc(cc1)CNC(=O)Cn1nc2c(c1)CCCCCC2	PC-id_20892506,CoCoCo_2192353,ChEMBL-DNDi_CHEMBLC881-1464	355.474	KOKSVVOTPABLNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082076
C[C@H](c1nn2c(c1)CN(CCC2)Cc1cccc(c1)OC1CCCC1)O	PC-id_99973578	355.474	DGNDXSQNODYIKM-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082077
C[C@@H](c1nn2c(c1)CN(CCC2)Cc1cccc(c1)OC1CCCC1)O	PC-id_99973579	355.474	DGNDXSQNODYIKM-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082078
CC(O)c1cc2CN(Cc3cccc(OC4CCCC4)c3)CCCn2n1	PC-id_91770579,MCULE-7954417216,EMOLS-id_55632696	355.474	DGNDXSQNODYIKM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082079
COc1cc(OC)ccc1C/N=C/1CC(C)CCc2c1nc(n2CC)C	SCHEMBL17895920	355.474	DIURPHZMKRZWTQ-RELWKKBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082080
COc1cc(OC)ccc1CN=C1CC(C)CCc2c1nc(n2CC)C	SCHEMBL17895923,PC-id_121458080	355.474	DIURPHZMKRZWTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082081
COc1ncccc1CN1Cc2cccn2C[C@H](CCOCC2CC2)C1	ZINC22_585095269	355.474	LVQHWUCOKXHKCJ-GOSISDBHSA-N	00100000100000101101000000000010000000000000000000000000	31-01-082082
COc1ncccc1CN1Cc2cccn2C[C@@H](CCOCC2CC2)C1	ZINC22_585095270	355.474	LVQHWUCOKXHKCJ-SFHVURJKSA-N	00100000100000101101000000000010000000000000000000000000	31-01-082083
COc1ncccc1CN1CC(CCOCC2CC2)Cn2cccc2C1	EMOLS-id_313835813	355.474	LVQHWUCOKXHKCJ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-082084
COCCNC(=O)CC1CN(CCc2ccccc2)Cc2cccn2C1	EMOLS-id_313814562	355.474	BQOSMKPWYUKOGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082085
COCCNC(=O)C[C@H]1CN(CCc2ccccc2)Cc2cccn2C1	ZINC22_585099019	355.474	BQOSMKPWYUKOGC-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-082086
COCCNC(=O)C[C@@H]1CN(CCc2ccccc2)Cc2cccn2C1	ZINC22_585099020	355.474	BQOSMKPWYUKOGC-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082087
COC(=O)c1ccc(cc1)CC1CCCCCc2c1nnn2C(C)(C)C	SCHEMBL20807617,PC-id_138462929	355.474	LXMQHOBLAOGUEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082088
Oc1ccc(cc1)CC(C(=O)N1Cc2cnn(c2CC(C1)(C)C)C)(C)C	MCULE-5334629117,EMOLS-id_320248054	355.474	ZZLNOMVWYMWGCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082089
O=C(c1ccc(cc1)CC1CCCCCc2c1nnn2C)OC(C)(C)C	PC-id_138737344,SCHEMBL21117649	355.474	WIYVLGBKBSWXFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082090
O[C@@H](c1cc2n(n1)CCCN(CCOCc1ccccc1)C2)C1CCC1	PC-id_100048546,ZINC22_219850499	355.474	BMBCZPKLYKALIS-OAQYLSRUSA-N	00001000100000110101000000000010000000000000000000000000	31-01-082091
O[C@H](c1cc2n(n1)CCCN(CCOCc1ccccc1)C2)C1CCC1	PC-id_100048549,ZINC22_219850543	355.474	BMBCZPKLYKALIS-NRFANRHFSA-N	00001000100000110101000000000010000000000000000000000000	31-01-082092
O(C(=O)N1CCCc2[nH]cnc2CC1)CCc1ccc(C(C)(C)C)cc1	PC-id_20803047	355.474	CPEQHTJOOLSJLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082093
c1(NC(=S)NNC(=O)C)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_4033557,CoCoCo_6806875,PC-id_17372225,TIMTEC339035,MCULE-7623861434	355.476	NPXXIFLWISUIKZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-082094
BrCC1CCCC1NC(=O)c1cc2c(s1)CCCCC2	PC-id_106366527	356.321	OWZHCCYUHDYKKJ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-082321
N#Cc1c(NC(=O)CN(S(=O)(=O)C)C)sc2c1CCCCCC2	EMOLS-id_110431489	355.476	OXAPJVWVVMVQNH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-082095
c12CN(CCC)CCCn1nc(CNC(=O)c1ccccc1N(C)C)c2	PC-id_70753587,EMOLS-id_44440673,ZINC22_82121993,MCULE-7381403912	355.477	RDJIOLRFRKJJLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082096
c12CN(CCC)CCCn1nc(CNC(=O)c1ccc(cc1)N(C)C)c2	PC-id_70755004,ZINC22_82125486,EMOLS-id_44441173,MCULE-8651293932	355.477	OHDWHAJHNLGYKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082097
c12CN(CCC)CCCn1nc(CNC(=O)C(NC)c1ccccc1)c2	PC-id_70775993,EMOLS-id_44448393,MCULE-3412049969	355.477	OTLZOPNCSBXLCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082098
c12CN(CCC)CCCn1nc(CNC(=O)Nc1ccccc1CC)c2	ZINC22_82133518,MCULE-4420617065,EMOLS-id_44442645,PC-id_70759365	355.477	ATPWVHWRCWUDEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082099
c12CN(CCC)CCCn1nc(CNC(=O)Nc1ccc(cc1C)C)c2	ZINC22_82135245,MCULE-3535529402,PC-id_70763572,EMOLS-id_44444077	355.477	AFECSOXJVQUPKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082100
c12CN(CCC)CCCn1nc(CNC(=O)NCCc1ccccc1)c2	EMOLS-id_44433153,MCULE-1187885656,ZINC22_82107313,PC-id_70732210	355.477	IOGUUDKABBHICQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082101
c12CN(CCCn1nc(CNC(=O)Nc1cccc(C)c1)c2)CC(C)C	MCULE-5296996256,EMOLS-id_44424787,ZINC22_82087522,PC-id_70708604	355.477	RNDDXBJVBBOCJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082102
c12CN(CCCn1nc(CNC(=O)N(C)c1ccccc1)c2)CC(C)C	PC-id_70750664,ZINC22_82121070,MCULE-3430245169,EMOLS-id_44439633	355.477	XMCHPJIMNRYFBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082103
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(cc1)CC	EMOLS-id_44450357,ZINC22_82160412,MCULE-9117031338,PC-id_70781741	355.477	OYDDELUVSLMCPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082104
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccccc1CC	PC-id_70738468,ZINC22_82109068,EMOLS-id_44435319,MCULE-5751252957	355.477	FTKVIHCZMGRZFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082105
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(cc1C)C	PC-id_70772368,ZINC22_82139262,EMOLS-id_44447091,MCULE-4997583812	355.477	URXPYTXLOJNKMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082106
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(c(C)c1)C	EMOLS-id_44426409,MCULE-2334523470,PC-id_70713015,ZINC22_82093325	355.477	XYQTVCHQRMPIJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082107
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cc(C)ccc1C	PC-id_70742526,MCULE-9703140243,ZINC22_82114855,EMOLS-id_44436815	355.477	GEILOFGKQLBZEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082108
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cc(C)cc(C)c1	EMOLS-id_44447295,MCULE-7210379541,PC-id_70772950,ZINC22_82145842	355.477	FYGBGQDOKUYPAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082109
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)CC(C)c1ccccc1	EMOLS-id_44448887,PC-id_70777451,MCULE-7251318910	355.477	UVUJILADOBNFFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082110
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCNCCn12	EMOLS-id_68923614,PC-id_118760097,MCULE-6690008861	355.477	BGACYTYSIWJWHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082111
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccccc3)CCn12	ChEMBL-DNDi_CHEMBL55043174,MCULE-1808711696,EMOLS-id_232755597,PC-id_45931533	355.477	CREJPOFPELLSMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082112
c1(C(C(C)C)NC(=O)c2c(C)cc(cc2C)C)nnc2CCNCCn12	MCULE-8999608335,PC-id_56705994,EMOLS-id_36431532	355.477	PSLDADPNSFWPTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082113
c1ccc(OCCN2CCN(Cc3cc4n(n3)CCCNC4)CC2)cc1	MCULE-5035935555,EMOLS-id_43150338,PC-id_56906899,ZINC22_72155929	355.477	QDOWMFGEZXDHHU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-082114
c1(C(C)N(c2ccc(cc2)C)C(=O)NC(C)C)nnc2CCCCCn12	MCULE-2884221845,PC-id_71700260,EMOLS-id_44678011	355.477	VRMRYXOBRKWHNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082115
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(CC(C)C)CCn12	EMOLS-id_20419072,PC-id_45174855,MCULE-7696528859	355.477	AHQJWAJOTBTSOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082116
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccccc3C)CCn12	EMOLS-id_20559145,MCULE-9961832244,ChEMBL-DNDi_CHEMBL40488920,PC-id_45206996	355.477	JVIVJVDZBOODNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082117
c1(CN(C)C(=O)CCc2c3CCCCc3[nH]n2)c2CCCCCc2[nH]n1	EMOLS-id_290041601,MCULE-2340084527,ZINC22_952989525	355.477	VXFPGNVSFQWUNN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-082118
c1(NC(=S)NC(=O)c2ccccc2)sc2c(CCCCC2)c1C#N	CoCoCo_70934,EMOLS-id_936488,ZINC22_827137,PC-id_1102062,MCULE-9679530873,SCHEMBL20248980,TIMTEC347805,BAS-00435420,STOCK1S-76800	355.477	NZRTWPXMSDDNKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082119
CC1Cc2nnc(COCC3CCC3)n2CCN1Cc1ncccc1C	EMOLS-id_313826852	355.477	DABLYASVXNJUTO-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-082120
Cc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)C(C)C)n2CC1	ZINC22_20999271,CoCoCo_1357253,PC-id_29258532,CoCoCo_1357254	355.477	JVIVJVDZBOODNL-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082121
Cc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)C(C)C)n2CC1	ZINC22_20999272,CoCoCo_1357251,PC-id_29258533,CoCoCo_1357252	355.477	JVIVJVDZBOODNL-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082122
Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(CC(C)C)CC2	CoCoCo_1157594,CoCoCo_1157595,PC-id_42325790,ZINC22_11974988	355.477	AHQJWAJOTBTSOE-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082123
Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(CC(C)C)CC2	ZINC22_11974983,CoCoCo_1157592,PC-id_42325786,CoCoCo_1157593	355.477	AHQJWAJOTBTSOE-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082124
Cc1ccccc1NC(=O)N1CCCn2cnc(CN(C)C(C)C)c2C1	PC-id_97519334,EMOLS-id_44370046,ZINC22_96259250	355.477	SGYCZAGYQOOPRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082125
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCNCC3)c1	ZINC22_299790426	355.477	BGACYTYSIWJWHV-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082126
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCNCC3)c1	ZINC22_299790448	355.477	BGACYTYSIWJWHV-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082127
Cc1cc(C)c(C(=O)N[C@@H](c2nnc3n2CCNCC3)C(C)C)c(C)c1	PC-id_95200475,ZINC22_67676135	355.477	PSLDADPNSFWPTK-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082128
Cc1cc(C)c(C(=O)N[C@H](c2nnc3n2CCNCC3)C(C)C)c(C)c1	ZINC22_67676136,PC-id_95200476	355.477	PSLDADPNSFWPTK-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082129
Cc1cccc(NC(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)c1	EMOLS-id_44370048,ZINC22_96259251,CHEMBL3553258,PC-id_97519335	355.477	RWXVQWOXLTXGNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082130
Cc1cc(CN2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)n(C)n1	ZINC22_585099101	355.477	MEBBVLWBOAGVSG-KRWDZBQOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-082131
Cc1cc(CN2Cc3cccn3C[C@H](CC(=O)NCC3CC3)C2)n(C)n1	ZINC22_585099102	355.477	MEBBVLWBOAGVSG-QGZVFWFLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-082132
Cc1cc(CN2CC(CC(=O)NCC3CC3)Cn3cccc3C2)n(C)n1	EMOLS-id_313813027	355.477	MEBBVLWBOAGVSG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-082133
Cc1ccc(nc1)C(CNC(=O)N1Cc2cn[nH]c2CC(C1)(C)C)(C)C	EMOLS-id_318165526	355.477	ZDZUJWNBEYHGFN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082134
Cc1cccnc1CN1CCn2c(COCC3CCC3)nnc2C[C@@H]1C	ZINC22_585096951	355.477	DABLYASVXNJUTO-INIZCTEOSA-N	00001000100000101101000000000010000000000000000000000000	31-01-082135
Cc1cccnc1CN1CCn2c(COCC3CCC3)nnc2C[C@H]1C	ZINC22_585096954	355.477	DABLYASVXNJUTO-MRXNPFEDSA-N	00001000100000101101000000000010000000000000000000000000	31-01-082136
Cc1ccc(NC(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)cc1	EMOLS-id_44370050,ZINC22_96259252,PC-id_97519336	355.477	WTRJCMAJNAUSEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082137
Cc1ccc(N(C(=O)NC(C)C)[C@@H](C)c2nnc3n2CCCCC3)cc1	ZINC22_94992708	355.477	VRMRYXOBRKWHNA-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082138
Cc1ccc(N(C(=O)NC(C)C)[C@H](C)c2nnc3n2CCCCC3)cc1	ZINC22_94992709	355.477	VRMRYXOBRKWHNA-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082139
CC(C)c1ccc(CCNC(=O)NCc2nnc3n2CCCCC3)cc1	ZINC22_40071129,MCULE-9685332538,PC-id_45875859,EMOLS-id_29593807,CoCoCo_4790756	355.477	NITRIKGUOXRUHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082140
CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)C)n3CC2)cc1	MCULE-5786783365,CoCoCo_1231472,EMOLS-id_20472133,ChEMBL-DNDi_CHEMBL22648250,ZINC22_20450909,CoCoCo_1231471,PC-id_28954585	355.477	FVMQHLQSQLPKEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082141
CC(C)CCc1ccc(NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)nc1	MCULE-3377297748,EMOLS-id_316877036,PC-id_136552863,ZINC22_663184389	355.477	GTLAVSMYANTKGG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082142
CC(CCN1CCc2n(CC1)c(nn2)CNC(=O)Cc1ccccc1)C	CoCoCo_1206232,PC-id_26279005,CoCoCo_1206231	355.477	XZVLSIBFILVHOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082143
CCC(C(=O)NCc1nnc2n1CCN(CC2)Cc1ccccc1C)C	ChEMBL-DNDi_CHEMBL21320960	355.477	WYRWCFCSBRJNPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082144
CC[C@@H](CN1CCc2n(CC1)c(nn2)CNC(=O)Cc1ccccc1)C	CoCoCo_1357095,CoCoCo_1357097	355.477	VREZTOBVSIKSPQ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082145
CC[C@H](CN1CCc2n(CC1)c(nn2)CNC(=O)Cc1ccccc1)C	CoCoCo_1357098,CoCoCo_1357096	355.477	VREZTOBVSIKSPQ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082146
CCCN1CCc2n(CC1)c(nn2)[C@H](NC(=O)CCc1ccccc1)C	CoCoCo_1296869,CoCoCo_1296868	355.477	ZAMOXOWYGQFJJE-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082147
CCCN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)CCc1ccccc1)C	CoCoCo_1296871,CoCoCo_1296870	355.477	ZAMOXOWYGQFJJE-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082148
CCCN1CCc2n(CC1)c(nn2)C(NC(=O)CCc1ccccc1)C	PC-id_45197501,ChEMBL-DNDi_CHEMBL31429365	355.477	ZAMOXOWYGQFJJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082149
CCCN1CCCn2nc(CNC(=O)[C@@H](NC)c3ccccc3)cc2C1	PC-id_96580282,ZINC22_82147943	355.477	OTLZOPNCSBXLCA-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-082150
CCCN1CCCn2nc(CNC(=O)[C@H](NC)c3ccccc3)cc2C1	ZINC22_82147941,PC-id_96580281	355.477	OTLZOPNCSBXLCA-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082151
BrCC1(CCCC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_114311360	356.321	YMEGSHBZOMJKLC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-082322
CCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1ccccc1)C(C)C	CoCoCo_1261265,CoCoCo_1261266	355.477	DRKQMJYECXJHCX-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082152
CCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1ccccc1)C(C)C	CoCoCo_1261267,CoCoCo_1261268	355.477	DRKQMJYECXJHCX-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-082153
C[C@H](CCNC(=O)NCCc1nnc2n1CCCCC2)c1ccccc1	PC-id_52524928,ZINC22_58325791	355.477	KJCOSWOEJOLIJM-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082154
C[C@@H](CCNC(=O)NCCc1nnc2n1CCCCC2)c1ccccc1	ZINC22_58325788,PC-id_52524927	355.477	KJCOSWOEJOLIJM-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082155
C[C@@H](CN1CCCn2nc(CNC(=O)N(C)C)cc2C1)c1ccccc1	ZINC22_82155866,PC-id_96580471	355.477	UVUJILADOBNFFV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082156
C[C@H](CN1CCCn2nc(CNC(=O)N(C)C)cc2C1)c1ccccc1	ZINC22_82157898,PC-id_96580918	355.477	UVUJILADOBNFFV-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082157
CCn1cc(CN2Cc3cccn3C[C@@H](CC(=O)NCC3CC3)C2)cn1	ZINC22_585099215	355.477	VSIQCMFKONHPBN-KRWDZBQOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-082158
CCn1cc(CN2Cc3cccn3C[C@H](CC(=O)NCC3CC3)C2)cn1	ZINC22_585099216	355.477	VSIQCMFKONHPBN-QGZVFWFLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-082159
CCn1cc(CN2CC(CC(=O)NCC3CC3)Cn3cccc3C2)cn1	EMOLS-id_313813283	355.477	VSIQCMFKONHPBN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-082160
CCOc1ccccc1N1CCN(Cc2cc3CNCCCn3n2)CC1	EMOLS-id_43094705,ZINC22_72143837,PC-id_56891248,MCULE-2295322030	355.477	MQCDQRPTZBNJGK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082161
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1)CC2	ZINC22_14959647	355.477	CREJPOFPELLSMK-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082162
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1)CC2	ZINC22_14959649	355.477	CREJPOFPELLSMK-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082163
Cn1cccc1C(=O)N1Cc2ccnn2C[C@@H](CCN2CCCCC2)C1	ZINC22_248092289	355.477	CKLIPOPMNODVGQ-KRWDZBQOSA-N	00000000110010000101000000000010000000000000000000000000	31-01-082164
Cn1cccc1C(=O)N1Cc2ccnn2C[C@H](CCN2CCCCC2)C1	ZINC22_248092294	355.477	CKLIPOPMNODVGQ-QGZVFWFLSA-N	00000000110010000101000000000010000000000000000000000000	31-01-082165
Cn1cccc1C(=O)N1CC(CCN2CCCCC2)Cn2nccc2C1	EMOLS-id_50371951	355.477	CKLIPOPMNODVGQ-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-082166
CN(C(C)C)Cc1ncn2c1CN(CCC2)C(=O)NCc1ccccc1	PC-id_97519333	355.477	UHEACMKRAYZMKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082167
CN(C)C(=O)NCCC1CN(CCc2ccccc2)Cc2ccnn2C1	EMOLS-id_50375715	355.477	IWNMEQVYQUAQBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082168
CN(C)C(=O)NCC[C@@H]1CN(CCc2ccccc2)Cc2ccnn2C1	ZINC22_306130117	355.477	IWNMEQVYQUAQBY-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082169
CN(C)C(=O)NCC[C@H]1CN(CCc2ccccc2)Cc2ccnn2C1	ZINC22_306130118	355.477	IWNMEQVYQUAQBY-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082170
COc1ccccc1N1CCC(CC1)NCc1nnc2n1CCCCC2	MCULE-1230471656,EMOLS-id_316472971	355.477	CVYQYVOMDODOGL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082171
O1CCN(CC1)CC(c1ccccc1)NCc1nnc2n1CCCCC2	EMOLS-id_318154436	355.477	XMQYMMYOZLWFQR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-082172
O=C(c1cc2c(s1)CCCCC2)Nc1scc(n1)c1ccccn1	MCULE-8537696296,PC-id_16386774	355.477	ZSHBHQAZXRWSTC-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-082173
O=C(c1cnn(c1)CC1CCCC1)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_320030517,MCULE-3818653477	355.477	ZYXNBPOMQBLRCB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082174
O=C(C(C(c1ccccc1)N)C)NCCCc1nnc2n1CCCCC2	PC-id_119872049,EMOLS-id_301951600,MCULE-1522297113	355.477	UPOZLLFHZSPWSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082175
O=C(N1C(c2n(CC1)ccc2)CC)c1nn2c(CN(CCC2)C(C)C)c1	PC-id_50983759	355.477	YLPCHAJOBHWOAE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-082176
O=C(Nc1nc(c2cccnc2)cs1)c1cc2c(s1)CCCCC2	CoCoCo_3307319,MCULE-1132080541,PC-id_9116481,EMOLS-id_3656828,ZINC22_7987380	355.477	ZZZTXYOKKZXYBI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-082177
O=C(N(Cc1n2CCCCCc2nn1)c1ccc(cc1)C)NCCCC	PC-id_7565978	355.477	FMOOVCFJCKQLOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082178
O=C(N(Cc1n2CCCCCc2nn1)c1cc(ccc1)C)NCCCC	PC-id_7566042	355.477	PFWXQMFXKVYRHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082179
O=C(N(Cc1n2CCCCCc2nn1)c1c(cccc1)C)NCCCC	PC-id_7566093	355.477	KUWYGECKCBCBNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082180
O=C(NCCc1n2CCCCCc2nn1)NCCC(c1ccccc1)C	PC-id_51131158,MCULE-1014207963,EMOLS-id_32157763	355.477	KJCOSWOEJOLIJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082181
O=C(NCCc1n2CCCCCc2nn1)NC(CCc1ccccc1)C	PC-id_55589840	355.477	HCLNDPOHNDHZMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082182
s1c2CCCCCc2c(c1Nc1sc2c(n1)cc(OC)cc2)C#N	PC-id_7513111	355.477	VDZJMHZPBGJQOX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082183
s1c2CCCCCc2c(c1NC(=O)C(=S)Nc1ccccc1)C#N	PC-id_6425089	355.477	IHKMPGOSPFACMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082184
c12SC/C(=N/NC(=O)c3ccncc3)/CSc1sc(=O)s2	MCULE-9868686408,GD-id_ZINC04535478,PC-id_4208078,EMOLS-id_6768128	355.479	XASXGXZKFYGBNG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082185
CC(c1ccc(s1)S(=O)(=O)NC1CCn2c(CC1)nnn2)(C)C	EMOLS-id_102028496	355.479	SYDKQZMJXWNCBJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-082186
S1CC(=CSc2sc(=O)sc12)NNC(=O)c1ccncc1	PC-id_4225139	355.479	XONLAKAQDADOQK-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-082187
c1(N2CCCCC2)nc(CC)cc(NCc2cc3n(CCCNC3)n2)n1	PC-id_70717186,ZINC22_82096743,EMOLS-id_44427855,MCULE-2581406025	355.48	VOTMVMRENYHVBT-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-082188
C[C@H](c1nnc2n1CCCCC2)[NH2+]Cc1csc(n1)c1ccccn1	GD-id_ZINC42958460	355.48	CFDVQMPLDUAMGK-CYBMUJFWSA-O	00000000100000101101100000000010000000000000000000000000	31-01-082189
CCNC(=NCc1ccccn1)NCCCc1nnc2n1CCCCC2	PC-id_110969378	355.48	DMVZHUDZHUOSNE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082190
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccccn1	PC-id_111194262	355.48	IXGXQRZZNSUNJK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082191
CN=C(NCCc1ccccn1)NCCCc1nnc2n1CCCCC2	PC-id_111194496	355.48	PEYXQUDGTQCTAQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082192
s1c2c(CCCCC2)cc1C(=O)N1CC(CC1)c1ccc(OC)cc1	PC-id_56306034	355.494	ZVSFNFNEHQPNTH-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-082193
s1c(C(=O)N(C2CC2)Cc2ccc(OC)cc2)cc2c1CCCCC2	PC-id_9298492	355.494	LCKJGEVHFFWXCL-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-082194
CS(=O)(=O)NCCC1CN(CC2CCOCC2)Cc2cccn2C1	EMOLS-id_313835555	355.495	UMXIHOGYUHPWEN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082195
CS(=O)(=O)NCC[C@H]1CN(CC2CCOCC2)Cc2cccn2C1	ZINC22_585095505	355.495	UMXIHOGYUHPWEN-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082196
CS(=O)(=O)NCC[C@@H]1CN(CC2CCOCC2)Cc2cccn2C1	ZINC22_585095506	355.495	UMXIHOGYUHPWEN-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082197
c1(cc2c(CCCCCC2)s1)C(=O)N1CCN(CC1)c1ccccn1	MCULE-4044848290,ZINC22_4749433,CoCoCo_540396,PC-id_1244321,EMOLS-id_2265457,TIMTEC318086	355.497	MSMLBTLSRZMRER-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-082198
O=C(c1cc2c(s1)CCCCC2)N1CCN(Cc2ccncc2)CC1	EMOLS-id_11827441,CoCoCo_3873645,MCULE-7793528850,ZINC22_23731512,PC-id_9226224	355.497	ZHQOLTOKROJEBC-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082199
O=C(c1nc2c(s1)CCN(Cc1ccccc1)CC2)N1CCCCC1	ZINC22_96147007,PC-id_97442531,EMOLS-id_44303982	355.497	ACGUABWIUNCQQR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-082200
O=C(N1CCCC1c1ccccc1C)Nc1nc2c(s1)CCCCC2	PC-id_112838644	355.497	ONEXWFNSDAEOQP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082201
O=C(N1CCCC1Cc1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_112825119	355.497	LPIHSWQUANXLLH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082202
O=C(N1CCNCC1c1cccnc1)c1sc2c(c1)CCCCCC2	PC-id_120732629	355.497	MBYFZUBSWBQCEX-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-082203
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)Cc1ncccc1	PC-id_40407430	355.497	LPSXOMWPTGVTEG-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082204
s1c2CCCCCc2cc1C(=O)NCc1ccc(N2CCCC2)nc1	PC-id_37481991	355.497	CTTSOFWBSQSZLC-UHFFFAOYSA-N	00000010100000101100100000000010000000000000000000000000	31-01-082205
s1c2CCCCCc2nc1NC(=O)c1cc(CN2CCCC2)ccc1	PC-id_55984249	355.497	OSNUIEJBAJFPEQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082206
s1c2CCCCCc2nc1NC(=O)C(N1CCCC1)c1ccccc1	PC-id_56509006	355.497	ARGZSJDGRFERPB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082207
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1ccncc1	PC-id_9254705	355.497	YVBCMLBTXFDFSA-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-082208
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)C[C@H]1CC[C@H](CC1)N	ZINC22_244594197,EMOLS-id_44434339,MCULE-7521962542	355.499	DIAXCTOPSZHQEN-OKILXGFUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082209
S(=O)(=O)(NC(c1n2CCN(CCc2nn1)CC=C(C)C)C(C)C)C	PC-id_45167304	355.499	JHPMMSIHAIXRBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082210
S(=O)(=O)(NCc1nn2c(CN(CC3CCC(N)CC3)CCC2)c1)C	PC-id_70735550	355.499	DIAXCTOPSZHQEN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082211
CCC1CN(CC(S1(=O)=O)C)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98870692	355.515	QBLWIPDSAXYLLA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082212
CCN(C(=O)c1cc2c(s1)CCCCCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_40160495,PC-id_51968988	355.515	XJJWECNOHNXDCZ-CQSZACIVSA-N	00000010100000000100000000000010000000000000000000000000	31-01-082213
CCN(C(=O)c1cc2c(s1)CCCCCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_40160496,PC-id_51968989	355.515	XJJWECNOHNXDCZ-AWEZNQCLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-082214
CCN(C(=O)c1sc2c(c1)CCCCCC2)C1CCS(=O)(=O)C1	MCULE-8830318944,EMOLS-id_30229276,PC-id_45839765	355.515	XJJWECNOHNXDCZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-082215
O=C(c1sc2c(c1)CCCCCC2)NCC1CCCCS1(=O)=O	EMOLS-id_99334954	355.515	VEGGZFVCTLYDOV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-082216
s1c2CCCCCCc2cc1C(=O)NC(CCSC)C(=O)OC	PC-id_85007365	355.515	PSGXDDZEIFVPDU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-082217
s1c2CCCCCCc2cc1C(=O)N[C@H](CCSC)C(=O)OC	PC-id_9427100	355.515	PSGXDDZEIFVPDU-CYBMUJFWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-082218
s1c2CCCCCCc2cc1C(=O)N[C@@H](CCSC)C(=O)OC	PC-id_9427101	355.515	PSGXDDZEIFVPDU-ZDUSSCGKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-082219
s1c(C(=O)N2CC[NH+](CC2)Cc2ccccc2)cc2CCCCCc12	PC-id_9041408	355.517	PGGJBTQNDGYRKF-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-082220
c1(sc2c(CCCCCC2)n1)NC(=O)[C@H](CCSC)NC(=O)C	PC-id_134713875,EMOLS-id_316222739,MCULE-5725391227,ZINC22_1529195920	355.519	QRKSMPDMAWFKDW-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082221
OCCN(C(=O)Nc1nc2c(s1)CCCCC2)C1CCSCC1	EMOLS-id_98299638	355.519	DCQAVPYBHRJEJM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082222
O=C(N1CCS(=O)C(CC1)(C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_101389021	355.519	AFEILIVXGMRXJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082223
s1c2c(CCCCC2)c(c1NC(=S)NCCN(C)C)C(=O)OC	PC-id_20174195	355.519	FTECPPDRVCKONN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-082224
CNN/C(=C(CCN(CC1CC1)CC)/C)/c1nc2c([nH]1)C=C(CC=C2)C	PC-id_142988577	355.52	YAGUCHXQMOKDEO-SILNSSARSA-N	00100000100000000111000000000010000000000000000000000000	31-01-082225
CN(C(=O)CN1CSCCSC1)Cc1nnc2n1CCCCC2	EMOLS-id_278506109	355.522	PEBQZLCNAWOKQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082226
c1(C#N)c2CCCCCc2sc1N=CN1CC2(CC1CC(C2)(C)C)C	MCULE-2015580249,PC-id_3333846	355.54	JULVZMSKTWYPIV-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-082227
CC12CC(CC(C)(C)C1)N(C2)/C=N/c1sc2CCCCCc2c1C#N	PC-id_9664833,TIMTEC249841,SCHEMBL12582526,EMOLS-id_313845630	355.54	JULVZMSKTWYPIV-OEAKJJBVSA-N	00000010100010000100000000000110000000000000000000000000	31-01-082228
CC1(C)C[C@@H]2C[C@](C)(CN2/C=N/c2sc3c(c2C#N)CCCCC3)C1	ZINC22_101416511	355.54	JULVZMSKTWYPIV-NHXSASMMSA-N	00000010100010000100000000000110000000000000000000000000	31-01-082229
CC1(C)C[C@H]2C[C@@](C)(CN2/C=N/c2sc3c(c2C#N)CCCCC3)C1	ZINC22_103573357	355.54	JULVZMSKTWYPIV-ICOFYABRSA-N	00000010100010000100000000000110000000000000000000000000	31-01-082230
CC1(C)C[C@H]2C[C@](C)(CN2/C=N/c2sc3c(c2C#N)CCCCC3)C1	ZINC22_4604023,CoCoCo_5965331	355.54	JULVZMSKTWYPIV-JOTACAGLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-082231
CC1(C)C[C@@H]2C[C@@](C)(CN2/C=N/c2sc3c(c2C#N)CCCCC3)C1	ZINC22_4604025,CoCoCo_5965328	355.54	JULVZMSKTWYPIV-KTCWSOLJSA-N	00000010100010000100000000000110000000000000000000000000	31-01-082232
N#Cc1c(/N=CN2C[C@@]3(C[C@H]2CC(C3)(C)C)C)sc2c1CCCCC2	CoCoCo_5965329	355.54	JULVZMSKTWYPIV-VERTWNRXSA-N	00000010100010000100000000000110000000000000000000000000	31-01-082233
N#Cc1c(/N=CN2C[C@]3(C[C@@H]2CC(C3)(C)C)C)sc2c1CCCCC2	CoCoCo_5965330	355.54	JULVZMSKTWYPIV-OKKGOSJMSA-N	00000010100010000100000000000110000000000000000000000000	31-01-082234
N#Cc1c(N=CN2C[C@]3(C[C@H]2CC(C3)(C)C)C)sc2c1CCCCC2	PC-id_98207938	355.54	JULVZMSKTWYPIV-VFNWGFHPSA-N	00000010100010000100000000000110000000000000000000000000	31-01-082235
N#Cc1c(N=CN2C[C@@]3(C[C@@H]2CC(C3)(C)C)C)sc2c1CCCCC2	PC-id_98458581	355.54	JULVZMSKTWYPIV-YCRPNKLZSA-N	00000010100010000100000000000110000000000000000000000000	31-01-082236
s1c(N=CN2[C@@H]3C[C@@](CC(C3)(C)C)(C2)C)c(c2c1CCCCC2)C#N	PC-id_7301264	355.54	JULVZMSKTWYPIV-BTYIYWSLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-082237
s1c(N=CN2[C@H]3C[C@](CC(C3)(C)C)(C2)C)c(c2c1CCCCC2)C#N	PC-id_7301265	355.54	JULVZMSKTWYPIV-QVKFZJNVSA-N	00000010100010000100000000000110000000000000000000000000	31-01-082238
s1c2CCCCCc2cc1C(=O)NNC(=S)NCCC[NH+](C)C	PC-id_8468843	355.542	SETBLTQJYPEPND-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-082239
s1c2CCCCCCc2cc1C(=O)NNC(=S)NCC[NH+](C)C	PC-id_8788572	355.542	MJWGOPYPRXFMBJ-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-082240
CNCC/C=C/C1=Cc2nc(n(c2CCC=C1)C)CC(CC(C)(C)C)C	PC-id_143424511	355.56	OBQUCFSWGOYPRI-WABFUUGISA-N	00000000100000000111000000000010000000000000000000000000	31-01-082241
NC(=O)c1c(NC(=O)C(Cl)(Cl)Cl)sc2c1CCCCC2	ZINC22_5382610,PC-id_4995059	355.668	NFUUQZYPVNVTTC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-082242
Brc1ccc(C(Cl)c2sc3c(CCCCC3)c2)cc1	PC-id_63428624	355.72	NJIBDUZWHLKUSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082243
BrC(c1sc2c(CCCCC2)c1)c1ccc(Cl)cc1	PC-id_63436983	355.72	IJBFXNIKBTWUEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082244
Clc1cccc(c1)C(=O)Nc1[nH]/c/2=C/COC(OC/C=c2/n1)(F)F	PC-id_145689591	355.724	ZVLQRIABCQUSJV-JLYPQOKGSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082245
Cc1c(ccc(c1)Cl)On1c2-c(ccccc2)c(c1=O)C=CC(=O)O	PC-id_87834322	355.772	WKSUVSJRGABJJC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-082246
Cc1c(ccc(c1)Cl)On1c2-c(ccccc2)c(c1=O)C(=C)C(=O)O	SCHEMBL5427734,PC-id_87834323	355.772	GJKPKUMBGAABAR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-082247
OC(=O)/C=C/c1c2-c(n(c1=O)Oc1ccc(cc1C)Cl)ccccc2	SCHEMBL5427727	355.772	WKSUVSJRGABJJC-CSKARUKUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-082248
Clc1ccc(nc1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_112072525	355.797	PWKJFVUTVTZZQU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082249
Clc1cncc(c1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_112072348	355.797	KMIRIBGPWCWNBS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082250
C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2ccc(c3ccccc3Cl)o2)C1	ZINC22_1651747017	355.818	ARBOBBHPYGHZDD-GFCCVEGCSA-N	00000000101000110101100000000010000000000000000000000000	31-01-082251
C[C@H]1Cc2n[nH]cc2CN(C(=O)c2ccc(c3ccccc3Cl)o2)C1	ZINC22_1651747018	355.818	ARBOBBHPYGHZDD-LBPRGKRZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-082252
O=C(N[C@H]1CNCc2nccn2C1)c1ccc(c2ccc(Cl)cc2)[nH]1	ZINC22_2325857669	355.821	KXNIWOYVBHOJCB-AWEZNQCLSA-N	00000000110000110101100000000010000000000000000000000000	31-01-082253
O=C(N[C@@H]1CNCc2nccn2C1)c1ccc(c2ccc(Cl)cc2)[nH]1	ZINC22_2325857670	355.821	KXNIWOYVBHOJCB-CQSZACIVSA-N	00000000110000110101100000000010000000000000000000000000	31-01-082254
CCOc1cc(ccc1Cl)S(=O)(=O)N1CCCn2cncc2C1	MCULE-8512041495,PC-id_56884408,EMOLS-id_43066623,ZINC22_72127423	355.84	XZFHSAINTPWYPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082255
COc1ccc(cc1Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948295	355.84	OAQQWCMPULPCRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082256
COc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101948460	355.84	FCATXHFIUJTCSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082257
COc1ccc(cc1S(=O)(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101950896	355.84	RRZXRTUNFNDAPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082258
O=C(NCCCc1nnc2n1CCCCC2)c1snc(O)c1Cl	EMOLS-id_316852281,ZINC22_283168128,MCULE-3967285340	355.843	UKOZCKBUDDEOGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082259
Clc1n2c(CN(CCC2)C)c(n1)C(=O)NC(C(C)(C)C)C(=O)NC	PC-id_66931835,SCHEMBL1174459	355.863	QETDCAZYZVKERX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082260
Clc1n2c(CN(CCC2)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	PC-id_57635305,SCHEMBL1174454	355.863	QETDCAZYZVKERX-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082261
CNC(=O)[C@H](C(C)(C)C)NC(=O)Cc1nc(n2c1CNCCC2)Cl	PC-id_140172237	355.863	YYJCNBTWXGBYGH-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082262
Clc1ccc(n2cc(CNCc3cnc4n3CCCCC4)cn2)cc1	ZINC22_2325773790	355.864	FFRZIQSDLQDIDJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082263
Clc1c(C[NH+](Cn2nc3n(CCCCC3)c2=S)C)c(F)ccc1	GD-id_ZINC07100401,PC-id_8227030	355.881	VVINDONPWHXDHB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-082264
C1CN(CCC2=C1C(=C(S2)CC(F)(F)F)Br)C(=O)[O-]	PC-id_150096237	355.957	DUHGSYJMBAQDOY-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-082265
C1C=C(C2=C(C=I1)NC=N2)OC3=CC=C(C=C3)F	PC-id_163736776	355.982	LEHKZTFCBHOLRZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082266
IC1CCn2c(N(C1)C)cc(n2)Br	SCHEMBL19641437	356.002	DPIJKPVBNBZVTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082267
BrC(Br)C(=O)c1c2-c(c(c1)CC)ccccc2	PC-id_11013704	356.052	NZTUFSPCZHPGSU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-082268
CC(C)C1=CC=C(C2=NC(=O)N(C2=C1)CC3=CC=CC=C3)Br	PC-id_154333607	356.052	IRBPTAUJDYPWCE-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-082269
CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C(C(F)(F)Br)O	PC-id_163925515	356.059	REDBENQFDZPYDE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-082270
Brc1sc(Br)c2OCC(C(COc12)C)C	PC-id_71287005,SCHEMBL14748837	356.074	YWEOVXSKASYBTR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082271
BrCC(c1cc2-c(c(cc1)C)ccc2C)CBr	PC-id_14293200	356.096	OFGNFIBQQLSIPN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-082272
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)OC(=N4)C(=O)NC	PC-id_154685643	356.131	JNEYBGLVWQUMIM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082273
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)OC(=N4)NC(=O)C	PC-id_154685801	356.131	GDJSVYWAOBZZPW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082274
CNC1=NC2=C(S1)CC=C(C=C2)OC/3=CCCC(=N/C=C3)C(=O)NC	PC-id_153356342	356.131	IRGWSGGEPYIUED-XQGIZVDKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-082275
CC(C1=CC2=C(CCO2)C=C1)N3CCC4=C(CC3)SC(=N4)CC(=O)C	PC-id_165021878	356.156	LGZKHDMNZDSJDZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082276
Brc1ccc2-c(c(c(N(C(=O)C)C(=O)C)c2C#N)C#N)cc1	PC-id_85628700	356.174	NCTYIHKXLAJEJC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-082277
O=C1N(c2n(Cc3ccccc3)c(nc2C(=O)NC1)[B])Cc1ccccc1	PC-id_6338437	356.186	HZPFWNZXUIDURN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082278
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(o1)Br	PC-id_90625410	356.195	DXVOOKOWHBQROH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-082279
O=C(Cn1nc2n(c1=O)CCCCC2)Oc1c(Cl)cccc1Cl	PC-id_86925315	356.204	IQSFIVIBCCRQDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082280
OC1CCCCc2c1cn(c2)Cc1c(F)ccc(c1F)Br	PC-id_106264990	356.205	NBGKCFGSXOVYGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082281
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1c(cc(cc1)Cl)Cl	PC-id_90625352	356.227	SIEMRIZBMGHUCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082282
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1c(ccc(c1)Cl)Cl	PC-id_90625353	356.227	IICYWQSZRVRNNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082283
C1C[C@@H](CN(C1)CC2=NN3CCCN(CC3=C2)CC4=C(N=CC=C4)N)O	PC-id_164632808	356.232	PMMHZGHGZKRCTF-SFHVURJKSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082284
Brc1c(scc1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_62025646	356.238	PPNNCCDGAKFWMA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-082285
Brc1sc(C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_60747031	356.238	DNYPFNSMULNARB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-082286
Cc1cc(c(s1)Br)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182466	356.241	KFYTZNKWIMVUEN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-082287
Cc1sc(c(c1)Br)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102175412	356.241	AYWCBILYOHELHV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-082288
COc1nc(ncc1Br)Sc1nnc2n1CCCCC2	PC-id_106999423	356.241	YCMCGQAXRPSKBU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082289
O=C(c1csc(c1C)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102179624	356.241	ITJQPRFRASDNKS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-082290
O=C(c1sc(c(c1)Br)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102135136	356.241	CCKVATJHPFDDKP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-082291
O=C(c1scc(c1Br)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102177995	356.241	MRXXPFXKJVWVNB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-082292
Brc1c(Sc2n3CCCCCc3nn2)nc(nc1)NN	PC-id_80930766	356.245	PUNNLJCSPCIWST-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082293
NNc1ncnc(c1Br)Sc1nnc2n1CCCCC2	PC-id_114073868	356.245	DOIYXMKBOCSRAW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082294
Brc1cc(CSc2n3CCCCCc3nn2)ccc1F	PC-id_47295460	356.256	OOJHKSFHPMICEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082295
Brc1cc(CSc2n3CCCCCc3nn2)cc(F)c1	PC-id_79679364	356.256	CQDCJXHHVKXWHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082296
Brc1cc(F)c(CSc2n3CCCCCc3nn2)cc1	PC-id_47096063	356.256	BNQADUHOQZRBMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082297
Brc1c(CSc2n3CCCCCc3nn2)cccc1F	PC-id_81520610	356.256	GMYQRSFRTMIALD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082298
Brc1c(CSc2n3CCCCCc3nn2)ccc(F)c1	PC-id_47138174	356.256	QIHGBSPKNMDDKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082299
O=C1CN(C)c2c(C(=O)N1)[nH]c(n2)Oc1cccc(c1)OC(F)(F)F	PC-id_139478795,SCHEMBL21345515	356.257	HOPULDYOWFOAMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082300
Clc1c(C(=O)CSc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_7877347	356.27	YASWABXBFKSKQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082301
C/C=C
/NCCc2c(/C(=C/C(Br)C)/C1)sc(c2)C(=O)O	PC-id_144119774	356.278	ZAMLNVFPLPTLBV-UWXDMDTRSA-N	00000000100000000100000000000010000000000000000000000000	31-01-082302
Brc1c(n(nc1C)C)CSc1n2CCCCCc2nn1	PC-id_65860738	356.285	WQXBFUFPLQRLMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082303
NNC(c1c(Br)nnn1C)c1cc2c(s1)CCCCC2	PC-id_106466550	356.285	URSPZVSWGVLWOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082304
c12CCN(CCc1[nH][nH]c2=O)C(=O)Nc1cccc(c1)OC(F)(F)F	EMOLS-id_68910499,ZINC22_299786492,MCULE-6111487419,PC-id_118780091	356.3	KXNTXWAPSILLPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082305
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(F)(F)F)[N+](=O)[O-]	PC-id_89580212,SCHEMBL14965837	356.3	FMYIGGJXACHFNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082306
Cn1nc2CCN(CCn2c1=O)C(=O)c1ccc(OC(F)(F)F)cc1	PC-id_91910615,MCULE-2196516620,EMOLS-id_50585869	356.3	KUJOSHLTMXEYEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082307
FC(F)(F)c1cc(CN2CCn3c(OCC2)nc([N+](=O)[O-])c3)ccc1	PC-id_71569480,SCHEMBL14965968	356.3	NHIPTJZRVRKRGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082308
Brc1ccc(/N=c/2sc(=S)n3n2CCCCC3)cc1	PC-id_76309331	356.304	MIWGCRVVVKQAHI-QINSGFPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082309
c12CN(CCCn1nc(C)c2)C(=O)Nc1c(F)ccc(c1)C(F)(F)F	ZINC22_299758232,EMOLS-id_68884643,PC-id_118767617,MCULE-6105015776	356.318	PVTWQTGVSUOYLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082310
O=C(C1CCn2c(CC1)nnc2)Nc1cc(c(cc1C)F)C(F)(F)F	EMOLS-id_316478105	356.318	BZGHJLPMEWDHAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082311
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)C(F)(F)F)F	EMOLS-id_101965386	356.318	DBJXWRCLDMJRQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082312
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(ccc1F)C(F)(F)F	EMOLS-id_101952132	356.318	RSJNWGACTROMBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082313
O=C(N1CCCc2c(C1)cnn2C)NCc1c(F)cc(c(c1F)F)F	EMOLS-id_101697953	356.318	PCZZVFANYNATFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082314
BrC1CC(C1)CN(C(=O)c1sc2c(CCCCC2)c1)C	PC-id_80672706	356.321	YZQSUOAHDHEHPO-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-082315
BrC1CCC(C1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_106128746	356.321	CKQNFXWVMCTYKQ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-082316
BrC1CCCC1CNC(=O)c1cc2c(s1)CCCCC2	PC-id_114313764	356.321	VCPUYGMQRXEJPS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-082317
BrC1CCC(CC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_114309003	356.321	UPNPYWJWXKYJFZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-082318
BrC1CCCCC1NC(=O)c1cc2c(s1)CCCCC2	PC-id_114311920	356.321	KPECBUMJHGOCHW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-082319
BrC1CCN(CC1C)C(=O)c1cc2c(s1)CCCCC2	PC-id_114683451	356.321	HHLOORCJSKEJRM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-082320
BrCC1N(CCCC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80658680	356.321	ZQGQWAWSEJOOJJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-082326
BrCCC1CCN(C1)C(=O)c1cc2c(s1)CCCCC2	PC-id_114801615	356.321	CZHPTBKHDADPNN-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-082327
BrCCC1(CNC(=O)c2cc3c(s2)CCCCC3)CC1	PC-id_114758260	356.321	MXJZMASQRSZGDN-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-082328
BrCCN(C(=O)c1cc2c(s1)CCCCC2)C1CCC1	PC-id_102873093	356.321	AKONBIKAUSLHOF-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-082329
CC1CCN(CC1Br)C(=O)c1cc2c(s1)CCCCC2	PC-id_102961912	356.321	MWMVJEWFWFJGDE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-082330
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cnc(cc1)C(F)(F)F	PC-id_90625503	356.323	YWUVOPVJUZKQDC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082331
O=C(Cn1nc2n(c1=O)CCCCC2)ON1C(=O)c2c(C1=O)cccc2	MCULE-1188531075	356.333	SQMFQHCCWOOWAV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082332
O(C(=O)c1c2-c(c(c1NC=O)C(=O)OCC)ccc(N=[N+]=[N-])cc2)CC	PC-id_86230132	356.333	GNPVEHHBEHINGL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-082333
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(onc1C)C	PC-id_19523866	356.343	VIIJUKLBAYENSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082334
Brc1ccc(s1)CC(c1cc2c(s1)CCCCC2)N	PC-id_115841289	356.344	WGWLSMDNNQKZME-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-082335
Brc1csc(c1)CC(c1cc2c(s1)CCCCC2)N	PC-id_115848016	356.344	OLIQGYJUVABIBI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-082336
Brc1c(sc(c1)C)C(N)c1sc2c(CCCCC2)c1	PC-id_65279128	356.344	GSSOVKQLOSRIBQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-082337
Brc1c(scc1)C(NC)c1sc2c(CCCCC2)c1	PC-id_80535046	356.344	HFANGRGQMTVMOA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-082338
Brc1sc(c(C(N)c2sc3c(CCCCC3)c2)c1)C	PC-id_65635024	356.344	OBEYCBGGLLMFKJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-082339
Brc1sc(C(N)c2sc3c(CCCCC3)c2)cc1C	PC-id_79992280	356.344	ZJRIMZMXMCVLAG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-082340
Brc1sc(C(NC)c2sc3c(CCCCC3)c2)cc1	PC-id_63502570	356.344	JMJIMINESNYSTL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-082341
CNC(c1cscc1Br)c1cc2c(s1)CCCCC2	PC-id_105010801	356.344	AOHRIYAITZIPPP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-082342
NC(c1cc2c(s1)CCCCC2)Cc1sccc1Br	PC-id_115849224	356.344	WFHOZQLEZKOJSK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-082343
NC(c1cc(c(s1)C)Br)c1cc2c(s1)CCCCC2	PC-id_102827136	356.344	HKOJSARKURHCQB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-082344
Cc1cc(nn1CC(=O)NC1CCc2nnc(C)n2CC1)C(F)(F)F	MCULE-9783727660,EMOLS-id_50590203,PC-id_91922572	356.346	STTWYIPDLRGAIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082345
Cn1ncc2c1CCCN(C(=O)Nc1ccn(CCC(F)(F)F)n1)C2	EMOLS-id_316152923,MCULE-7318925478,ZINC22_425695491	356.346	FAHHPURYKSNOCQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082346
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O=C(c1n[nH]c(c1C(F)(F)F)C)NCCc1nnc2n1CCCCC2	EMOLS-id_278719999	356.346	NBHBQHSNPFLQGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082348
O=C(N1CCCc2c(C1)cnn2C)NCc1n(C)ncc1C(F)(F)F	EMOLS-id_316729112	356.346	VPRKMPGKNPQBPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082349
Cc1cc(C(=O)N2Cc3cccn3C[C@H](Oc3ncccc3F)C2)on1	ZINC22_253600030	356.351	CKSXCBXYYPRPCT-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082350
Cc1cc(C(=O)N2Cc3cccn3C[C@@H](Oc3ncccc3F)C2)on1	ZINC22_253600032	356.351	CKSXCBXYYPRPCT-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082351
Cc1cc(on1)C(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_50376827	356.351	CKSXCBXYYPRPCT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082352
c12C(CCCCn1nnn2)C(=O)NCc1onc(c2ccc(cc2)F)c1	PC-id_56873550,MCULE-3470575958,EMOLS-id_43194597	356.354	LQNNDSAZAIGGGB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082353
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O=C(NCc1cc(c2ccc(F)cc2)no1)[C@H]1CCCCn2nnnc12	ZINC22_71752672,PC-id_95553369	356.354	LQNNDSAZAIGGGB-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082356
FC(C1=Cc2[nH]c(cc2CC=C1)C(=O)NC1(COC1)c1ccccc1)F	PC-id_144936028	356.366	GQBNTCNVWDDPCC-UHFFFAOYSA-N	00001000100000110110100000000010000000000000000000000000	31-01-082357
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COCCNC(=O)c1cnn2c1CN(C(=O)C1CC(F)(F)C1)CCC2	EMOLS-id_313738741,ZINC22_1565550239	356.368	VGTQYQYTHPBHNE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-082359
CCOC(=O)c1c(/C=C/C(=O)OC)c(c2-c1ccccc2)C(=O)OCC	PC-id_101588846	356.369	JPFJLTXGJFHHPB-VAWYXSNFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-082360
COC(=O)c1ccccc1NC(=O)c1coc2c1C(=O)NCC(C)(C)C2	MCULE-5573737975,EMOLS-id_324050815,ZINC22_864629610,PC-id_146077545	356.372	SIUTTYCRFWZNEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082361
COc1ccc(F)cc1S(=O)(=O)N1CCc2nn(C)c(=O)n2CC1	PC-id_91910638,EMOLS-id_50585921,MCULE-8649915738	356.373	AXKWIZSCWWCCAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082362
COc1ccc(F)cc1S(=O)(=O)NC1CCc2n[nH]c(=O)n2CC1	MCULE-9549990977,EMOLS-id_50586035,PC-id_91910814	356.373	WZWUBAXEWYLZNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082363
OC(=O)C(c1ccc2c(c1)CCO2)NC(=O)c1noc2c1CCCCC2	MCULE-1615565417,EMOLS-id_72632811,PC-id_121961952	356.373	PVXHARWGIWVUKW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082364
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)C(=O)Nc1ccccc1	PC-id_56903596,ZINC22_72447771,MCULE-5622263617,EMOLS-id_43140542	356.376	PBKFAHCOGUVQOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082365
c12C(=O)N(CCCn1nc(C(=O)O)c2)CC(=O)N(CC)c1ccccc1	MCULE-9058599984,EMOLS-id_49266688	356.376	SDBVEZCEFHFTRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082366
c1(C(=O)NC)cn2c(CCN(C(=O)Cc3ccc4c(OCO4)c3)CC2)n1	EMOLS-id_331126826,ZINC22_1875245541,MCULE-9586893030	356.376	DZOSIXCQHIXSNT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082367
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c1(C(=O)OC)cc2n(CCCN(CCn3c4ccccc4oc3=O)C2)n1	ZINC22_65493855,PC-id_50978795,MCULE-3912458198,EMOLS-id_32426092	356.376	KWTTZYIDHCZECU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082369
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CC(c1nn2CCCN(Cc2c1)C(=O)Cn1c2ccccc2oc1=O)O	PC-id_91765224	356.376	IVYFHHCABYWREO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082371
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ONC(=O)c1nn2c(c1)CN(CCC2)C(=O)C1=C(C)C2C(O1)C=CC=C2	PC-id_144264837	356.376	XSNFCUVEIUTKCM-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-082382
c1(C(=O)NCCO)cc2n(CCCN(Cc3ccc4c(non4)c3)C2)n1	MCULE-4196283976,ZINC22_65470539,EMOLS-id_32422768,PC-id_50977025	356.379	MQJABMLSSMRPNK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082383
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Cc1cc(=O)n2c(n1)nc([nH]2)CC(=O)NCc1nnc2n1CCCCC2	PC-id_90650034	356.382	LCRMKVYKOLNHFT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082387
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c12C(=O)N(CCCn1nc(C(=O)N1CCCC1)c2)Cc1ccc(cc1)F	PC-id_53007946,MCULE-8783928962,EMOLS-id_32632818	356.394	JTEKGQZHURJZFK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082392
c1(c(C)c2c(c(ccc2)F)[nH]1)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	MCULE-1534308666,PC-id_91768645,EMOLS-id_55627200	356.394	XIDDFODPKCINLZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-082393
C[C@@H](NC(=O)N1CCCc2c(cnn2C)C1)c1cc2cc(F)ccc2o1	ZINC22_886091646	356.394	DVRWVXLHOOFBKW-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082394
C[C@H](NC(=O)N1CCCc2c(cnn2C)C1)c1cc2cc(F)ccc2o1	ZINC22_886091647	356.394	DVRWVXLHOOFBKW-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082395
CCNC(=O)C1=CN(CC(c2c1cn[nH]2)(C)C)C(=O)c1ccc(cc1)F	PC-id_121358780,SCHEMBL17777848	356.394	CRCJOYLTMNVZQG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082396
CCNC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(cc1)F	SCHEMBL17777867,PC-id_121358799	356.394	VDVHNSOBHBCJAD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082397
CNC(=O)C1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(cc1)F	SCHEMBL17777865,PC-id_121358797	356.394	WCVRRSYTOIGZIN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082398
CNC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)F	SCHEMBL17777842,PC-id_121358774	356.394	VKYHUIDHSPRSLW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082399
CNC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)C)F	SCHEMBL19702793	356.394	QTBMMKSQMDCKMX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082400
COC(=O)C1CS(=O)(=O)CCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_111651369	356.394	TYWFCAAFHBZGCU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082401
FC1(CC1)C(=O)N1CCCn2ncc(C(=O)NCc3ccccc3)c2C1	ZINC22_1565550259,EMOLS-id_313761999	356.394	WMCYZFNJXQOAOZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082402
FC1(CCC1)C(=O)N1CCCn2ncc(C(=O)Nc3ccccc3)c2C1	ZINC22_1565544650,EMOLS-id_313761998	356.394	PRCCQBOTDFGOIP-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-082403
Fc1ccc2c(c1)c(C)c(o2)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101728092	356.394	VEUGEGCNKZTPRG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082404
Fc1ccc2c(c1)cc(o2)C(NC(=O)N1CCCc2c(C1)cnn2C)C	MCULE-6180603383,EMOLS-id_316199714	356.394	DVRWVXLHOOFBKW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082405
Fc1ccccc1C(=O)N1Cc2ccnn2CCC1CN1CCCC1=O	EMOLS-id_313815851	356.394	PDWLAEFGIQINSJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082406
Fc1cccc(c1)C(=O)N1Cc2ccnn2CCC1CN1CCCC1=O	EMOLS-id_313817131	356.394	HESHUTZCNRDBSB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082407
Fc1ccc(cc1)C(=O)N1Cc2ccnn2CCC1CN1CCCC1=O	EMOLS-id_313817387	356.394	KHOWAZGUYWDHSU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082408
Fc1ccc(cc1)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	PC-id_97519436,ZINC22_96259352,EMOLS-id_44370252	356.394	IYAVRGLNANAJGB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082409
Fc1cccc(c1)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	ZINC22_96259351,EMOLS-id_44370250,PC-id_97519435	356.394	PKFWNTKCHOQMKC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082410
Fc1ccc(cc1)C(=O)N1C=C(C(=O)N(C)C)c2c(C(C1)(C)C)cn[nH]2	SCHEMBL17777918,PC-id_121358849	356.394	MZGCMKJOEMVHBF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082411
Fc1ccc(cc1)C(=O)N1C=C(C(=O)N(C)C)c2c(C(C1)(C)C)[nH]nc2	SCHEMBL17777889,PC-id_121358821	356.394	CNVBUFVNXIRTID-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082412
Fc1ccc(cc1)N1CCC(C1=O)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670188	356.394	CRDZAHNAQHLNQE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082413
Fc1cccc(CC(=O)N2CCCn3ncc(C(=O)NC4CC4)c3C2)c1	ZINC22_585110814,EMOLS-id_313764815	356.394	KHZUSSGPEWXZQC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082414
NC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)C)F	SCHEMBL19702791	356.394	IKWQDDHXZORTSQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082415
O=C1CCCN1C[C@@H]1CCn2nccc2CN1C(=O)c1ccccc1F	ZINC22_585097659	356.394	PDWLAEFGIQINSJ-AWEZNQCLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082416
O=C1CCCN1C[C@H]1CCn2nccc2CN1C(=O)c1ccccc1F	ZINC22_585097660	356.394	PDWLAEFGIQINSJ-CQSZACIVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082417
O=C1CCCN1C[C@@H]1CCn2nccc2CN1C(=O)c1cccc(F)c1	ZINC22_585097075	356.394	HESHUTZCNRDBSB-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082418
O=C1CCCN1C[C@H]1CCn2nccc2CN1C(=O)c1cccc(F)c1	ZINC22_585097080	356.394	HESHUTZCNRDBSB-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082419
O=C1CCCN1C[C@@H]1CCn2nccc2CN1C(=O)c1ccc(F)cc1	ZINC22_585097337	356.394	KHOWAZGUYWDHSU-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082420
O=C1CCCN1C[C@H]1CCn2nccc2CN1C(=O)c1ccc(F)cc1	ZINC22_585097338	356.394	KHOWAZGUYWDHSU-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082421
O=C(c1[nH]c2c(c1C)cccc2F)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99973334	356.394	XIDDFODPKCINLZ-GFCCVEGCSA-N	00000000100000100101000001100010000000000000000000000000	31-01-082422
O=C(c1[nH]c2c(c1C)cccc2F)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99973335	356.394	XIDDFODPKCINLZ-LBPRGKRZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-082423
O=C(N1CCCc2c(C1)cnn2C)C1CC(=O)N(C1)c1ccccc1F	EMOLS-id_101668261	356.394	HQCZBCQZLYKHJO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082424
Cc1cc(CN2Cc3ccnn3CCC2COc2ncccc2F)[nH]n1	EMOLS-id_313819426	356.397	HBJXEOKEBUKKIW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082425
Cc1cc(CN2Cc3ccnn3CC[C@H]2COc2ncccc2F)n[nH]1	ZINC22_585097061	356.397	HBJXEOKEBUKKIW-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082426
Cc1cc(CN2Cc3ccnn3CC[C@@H]2COc2ncccc2F)n[nH]1	ZINC22_585097064	356.397	HBJXEOKEBUKKIW-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082427
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OCC)ccc1	PC-id_52693897	358.455	FNVRNZHXFMJZSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084592
CCC(c1nnc2n1CCCCC2)NC(=O)c1ccc2c(c1F)nc[nH]2	EMOLS-id_278311322	356.397	NUEMMMVBGXBDLU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082428
CCn1cc(CN2Cc3ccnn3C[C@@H](Oc3ncccc3F)C2)cn1	ZINC22_306126691	356.397	FCDUIKTXYCIFKK-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082429
CCn1cc(CN2Cc3ccnn3C[C@H](Oc3ncccc3F)C2)cn1	ZINC22_306126692	356.397	FCDUIKTXYCIFKK-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082430
CCn1cc(CN2CC(Cn3nccc3C2)Oc2ncccc2F)cn1	EMOLS-id_50016220	356.397	FCDUIKTXYCIFKK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082431
Fc1ccc2c(c1)nc(n2C)CCNC(=O)C1CCn2c(CC1)nnc2	MCULE-7366965442,EMOLS-id_320096760	356.397	AFONIRYJMLQQCD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082432
Fc1ccc2[nH]c(CCC(=O)NCc3cc4CNCCCn4n3)nc2c1	EMOLS-id_49644536,MCULE-5775371729,ZINC22_97307295,PC-id_74232835	356.397	QINRLDIRMKSAQW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082433
Fc1ccc(cc1)C1=CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183189	356.397	MLJQQDSHMLJNAI-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-082434
Fc1ccc(cc1)c1n[nH]cc1CN(C1CCn2c(CC1)n[nH]c2=O)C	MCULE-9258800157,EMOLS-id_96055602	356.397	GRONYISKAGKEHU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082435
O=C(c1ccc2c(c1F)nc[nH]2)NCCCc1nnc2n1CCCCC2	EMOLS-id_316634164	356.397	QPWAVNWFJJHBMC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082436
O=C(C1CCn2c(CC1)nnc2)NCCc1nc2c(n1C)cccc2F	EMOLS-id_319430947	356.397	YGZQUYYZGNSWRK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082437
c12C(=O)NCCCc1nc(NC(=O)c1cc3ccc(OC)cc3[nH]1)s2	PC-id_72720000,MCULE-2455133229,EMOLS-id_50139241,ZINC22_211130384	356.399	ZNKFXTKPIVDICD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-082438
c12C(=O)NCC(O)Cn1nc(C(=O)NCc1cc3c(cccc3)s1)c2	MCULE-9938724348,PC-id_119061365,EMOLS-id_82707341	356.399	HQDXPTQMJJNISE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082439
c1(NC(=O)Nc2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C#N	PC-id_4461687,CoCoCo_4975699,MCULE-5301732552,ZINC22_4079350,EMOLS-id_30102476	356.399	ADOTYFGESWFHQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082440
C=CC(=O)Nc1cccc(C(=O)Nc2nc3c(s2)C(=O)NCCC3)c1	ZINC22_1875371857	356.399	NRIRIQFIQFXZJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082441
N#Cc1c(NC(=O)COC(=O)c2cnccn2)sc2c1CCCCC2	EMOLS-id_3102465,ZINC22_3246610,PC-id_2363857,MCULE-1982944726,CoCoCo_2913231	356.399	LXRQOCRYYMHQAC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082442
O=C(NCc1cc2ccccc2s1)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426410454	356.399	HQDXPTQMJJNISE-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082443
O=C(NCc1cc2ccccc2s1)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426410455	356.399	HQDXPTQMJJNISE-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-082444
ONC(=O)c1nn2c(c1)CN(CCC2)C(=O)c1cc2c(s1)cccc2	SCHEMBL12210627,PC-id_58465743	356.399	NZWBGMIZZJXZPR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082445
s1c2c(c(C(=O)N3CCCc4n(nc(c4)C(=O)NO)C3)c1)cccc2	PC-id_53475855	356.399	AFWPHDBBZSNJEQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082446
O=C(c1cccs1)N1CCc2nnc(COc3cncnc3)n2CC1	ZINC22_96084589,PC-id_97405413,EMOLS-id_46182183	356.402	MKQNLPQCPMZKHH-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-082447
O=C(C1CCn2c(CC1)nnc2)Nc1nnc(s1)C=Cc1ccco1	EMOLS-id_320176244,MCULE-9673933884	356.402	XIAMBPGKPACZHU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-082448
O=C(c1ccsc1)N1CCc2nnc(COc3cncnc3)n2CC1	PC-id_97405414,EMOLS-id_46182185,ZINC22_96084590	356.402	HFYOXFPVVRCYPU-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-082449
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc2=NC(=O)N=c2cc1	PC-id_78591421	356.402	VQQPHRKFMBMOFK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082450
c12C(CCCCn1nnn2)C(=O)NCc1csc(c2cnccn2)n1	EMOLS-id_222783692,MCULE-8995805223	356.406	HNRFFSWSPZTAGB-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-082451
c12nc(cn1nc(C)s2)CNC(=O)N1CCCn2nc(C#N)cc2C1	MCULE-1074710011,PC-id_121502955,EMOLS-id_177426431,ZINC22_426504610	356.406	PQFZMVZLRHFFDD-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-082452
O=C(c1csnn1)N1CCCn2c(CNc3cccnc3)nnc2C1	EMOLS-id_313730006,ZINC22_1565551356	356.406	PLMNIDJNYQNABS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082453
O=C(NCc1csc(c2cnccn2)n1)[C@@H]1CCCCn2nnnc12	ZINC22_670463613	356.406	HNRFFSWSPZTAGB-LLVKDONJSA-N	00000000100000100101100000000010000000000000000000000000	31-01-082454
O=C(NCc1csc(c2cnccn2)n1)[C@H]1CCCCn2nnnc12	ZINC22_670463614	356.406	HNRFFSWSPZTAGB-NSHDSACASA-N	00000000100000100101100000000010000000000000000000000000	31-01-082455
FC(F)CN1CCN(CC1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_49122587	356.414	XTBGRHAIGTUZBU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082456
Cc1cccc(c1)CC(C(=O)O)CNC(=O)c1noc2c1CCCCC2	PC-id_120526766,EMOLS-id_57619037,MCULE-3153814996	356.416	CMJRHSZRLCOJNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082457
CCC(c1ccccc1)(C(=O)O)CNC(=O)c1noc2c1CCCCC2	MCULE-8744232771,EMOLS-id_72688391,PC-id_121991610	356.416	HXWDBMCMCDJCOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082458
CC(C)Oc1ccc(N(C)C(=O)c2coc3c2N(C)C(=O)CCC3)cc1	ZINC22_2325780015	356.416	ZSCNVVABVRFCLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082459
CCOc1cc2CC(Oc2cc1NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_100113117	356.416	MVFSIDOZIKOLTC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082460
CCOC(=O)c1cc2c(n1C)CCN(CC2)C(=O)OCc1ccccc1	SCHEMBL11178416,PC-id_20481306	356.416	GGXWDRZIUVSJFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082461
COc1cc2CC(Oc2cc1CNC(=O)c1noc2c1CCCCC2)C	EMOLS-id_100141347	356.416	KVJPLAATMLHOAQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082462
COc1ccc(cc1)C1OCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_316659811	356.416	CMTYVFJUALUHJP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082463
COc1ccccc1C1OCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_320318831,MCULE-4700449589	356.416	ZNGWSUAFYFNLFO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082464
COCCC1CN(Cc2cccn2C1)C(=O)Cc1ccc2OCOc2c1	EMOLS-id_313835815	356.416	ANCKSFKGWJVAOW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082465
COCC[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_585095031	356.416	ANCKSFKGWJVAOW-INIZCTEOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082466
COCC[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cccn2C1	ZINC22_585095032	356.416	ANCKSFKGWJVAOW-MRXNPFEDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082467
O=C(c1noc2c1CCCCC2)Nc1cccc(c1)OCC1CCCO1	EMOLS-id_100119195	356.416	ZMRSLGNGDDBSMC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082468
O=C(c1noc2c1CCCCC2)Nc1ccc(cc1)OCC1CCCO1	EMOLS-id_100944549	356.416	VNXPKPCKVZDZNU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082469
OC(=O)CCCN(C(=O)c1noc2c1CCCCC2)Cc1ccccc1	EMOLS-id_57640887,PC-id_120536380,MCULE-2960562761	356.416	ZETNYVRSCQERDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082470
OC(=O)CCC(NC(=O)c1noc2c1CCCCC2)Cc1ccccc1	MCULE-5292277621,PC-id_120547034	356.416	MSFHEFUOCGJDQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082471
OC(=O)CCC(NC(=O)N1CCCc2c(C1)cco2)Cc1ccccc1	PC-id_122027617	356.416	ZXMXWFCPUVHCIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082472
c1(sc2c(CCCCC2)n1)NC(=O)c1[nH]nc(c2ccc(cc2)F)c1	EMOLS-id_323254479,MCULE-7308196251	356.417	KOTONKCSHYZIKH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082473
COc1cc(sc1S(=O)(=O)N)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99323227	356.417	QYTVLDUURJSSAH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-082474
O=C(Nc1nc2c(s1)CCCCC2)c1cncn1c1ccc(F)cc1	CoCoCo_4546188,ZINC22_12828778,MCULE-1546160280,EMOLS-id_27383252,PC-id_25541165	356.417	STRCGKONTQOPNN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082475
s1c2CCCCCc2nc1NC(=O)c1c([nH]nc1)c1ccc(F)cc1	PC-id_24611868	356.417	OXXIZNKRKXVOTH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082476
s1c2CCCCCc2nc1NC(=O)c1cn(nc1)c1c(F)cccc1	PC-id_56205038	356.417	XJYRDPCLEFHBSD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082477
s1c2CCCCCc2nc1NC(=O)c1nn(c2cc(F)ccc2)cc1	PC-id_56084979	356.417	BQJJERBLTJHOHT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082478
s1c2CCCCCc2nc1NC(=O)c1nn(c2c(F)cccc2)cc1	PC-id_55652062	356.417	GSYAPLNSHDINJC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082479
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1cccc(N(C)C)c1	EMOLS-id_43121787,PC-id_56897849,ZINC22_72429111,MCULE-8273252800	356.419	MTDZAOZQTVQRND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082480
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Nc1c(C)cccc1C	EMOLS-id_43135196,ZINC22_72438200,PC-id_70750999,MCULE-6598891843	356.419	IGGSJOAELNMZGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082481
c12CN(CCCn1nc(CNC(=O)Cc1ccccc1OC)c2)C(=O)C	EMOLS-id_44433687,PC-id_70733681,ZINC22_85479329,MCULE-7283594372	356.419	FHYDZDYTWJJREE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082482
c12CN(CCCn1nc(CNC(=O)CCc1ccc(cc1)O)c2)C(=O)C	EMOLS-id_44432899,PC-id_70731513,ZINC22_82107143,MCULE-6048227804	356.419	KZRFUYYRIXWHLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082483
c12CN(CCCn1nc(CNC(=O)COCc1ccccc1)c2)C(=O)C	PC-id_70725159,MCULE-7357346006,ZINC22_82099074,EMOLS-id_44430613	356.419	DFSMBYQDOAPPHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082484
c12CN(CCCn1nc(CO)c2)C(=O)c1ccccc1N1CCOCC1	MCULE-9559216292,PC-id_91765802,EMOLS-id_55619078	356.419	LDOVLCKXEOIBON-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082485
c12CN(CCCn1nc(CO)c2)C(=O)c1cccc(c1)N1CCOCC1	PC-id_91786863,MCULE-6232388676,EMOLS-id_55679631	356.419	SYOSCDDSAPQIQI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082486
c12C(=O)N(CCCn1nc(C(=O)NCCOC)c2)Cc1ccc(cc1)C	MCULE-2765184194,EMOLS-id_32846124,CHEMBL3559811,PC-id_16028364	356.419	UPKCSLFXMMKSMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082487
c12C(=O)NCC(O)Cn1nc(C(=O)N(CC)CCCc1ccccc1)c2	MCULE-7798185012,EMOLS-id_55670145,PC-id_91838187	356.419	YILDSXVRNSMTRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082488
c1(C(O)C2CCC2)cc2n(CCCN(C(=O)c3ccnc(OC)c3)C2)n1	MCULE-7662996651,PC-id_91790057,EMOLS-id_55688977	356.419	KXIARTPADIKOFI-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-082489
c1(C(=O)N2CC(C2)Oc2ccccc2OC)cc2n(CCCN(C)C2)n1	MCULE-2042893657,EMOLS-id_32378690,ZINC22_65381252,PC-id_50953677	356.419	SQFMLOYQUMFNAT-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-082490
c1(C(=O)Nc2ccc(cc2)OCC2CCCO2)cn2c(CCNCC2)n1	MCULE-4312157724,EMOLS-id_330432526	356.419	HNXBXVXDEWTIMW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082491
c1(C(=O)NCCO)cc2n(CCCN(C2)C(=O)c2ccc(cc2C)C)n1	EMOLS-id_32379998,MCULE-8988488373,ZINC22_65382350,PC-id_50954378	356.419	FBZXDYAKMIRVNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082492
c1(ncoc1C1CC1)C(=O)N1CCCn2c(cc(n2)C(O)C2CCC2)C1	EMOLS-id_55643254,PC-id_91774301,MCULE-9269460878	356.419	ACNGXLZCHISKFU-UHFFFAOYSA-N	00101000100000000101100000000010000000000000000000000000	31-01-082493
c1(nnc2CCCCCn12)C(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1	ZINC22_1529168158,PC-id_134706695,MCULE-1751984549,EMOLS-id_316179938	356.419	XBYDUHNDCXCRRB-NVXWUHKLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082494
c1(=O)oc2c(cccc2)n1CCN1CCCn2c(cc(n2)C(CC)O)C1	MCULE-1203170351,EMOLS-id_55604994,PC-id_91760764	356.419	RAXUTHQXMQRYDC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082495
Cc1cc(c(c(c1)C)CCNC(=O)c1nn2CC(CNC(=O)c2c1)O)C	PC-id_135092333	356.419	IKNOQJXURPWNSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082496
Cc1cc(cc(c1)C(=O)O)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_121982488	356.419	INKOXKUDFNVDPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082497
Cc1ccc(C(=O)N2CCc3nc(C(=O)NCC4CC4)n(C)c3CC2)o1	EMOLS-id_313769167,ZINC22_2055751336	356.419	MEKDPYALFNQBPJ-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-082498
Cc1ccc(C(=O)N2CCCn3ncc(C(=O)NC4CCCC4)c3C2)o1	EMOLS-id_313766080,ZINC22_2055750836	356.419	CZIOKOFVVXMIJB-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-082499
Cc1ccc(OCC2CCn3nccc3CN2C(=O)C2CC(O)C2)cn1	EMOLS-id_313822496	356.419	QDFOYZYMVLFURO-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-082500
Cc1ccc(OC[C@H]2CCn3nccc3CN2C(=O)C2CC(O)C2)cn1	ZINC22_585097794	356.419	QDFOYZYMVLFURO-ARWYELJZSA-N	00001000100000101101000000000010000000000000000000000000	31-01-082501
Cc1ccc(OC[C@@H]2CCn3nccc3CN2C(=O)C2CC(O)C2)cn1	ZINC22_585097795	356.419	QDFOYZYMVLFURO-WIHSUSGWSA-N	00001000100000101101000000000010000000000000000000000000	31-01-082502
Cc1cc(C(=O)N2Cc3ccnn3CCC2CN2CCCC2=O)c(C)o1	EMOLS-id_313743796	356.419	FRSQOLGKXKGCGR-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-082503
Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCCC2=O)c(C)o1	ZINC22_585096927	356.419	FRSQOLGKXKGCGR-HNNXBMFYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-082504
Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCC2=O)c(C)o1	ZINC22_585096928	356.419	FRSQOLGKXKGCGR-OAHLLOKOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-082505
Cc1cc(C(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)c(C)o1	ZINC22_96259353,PC-id_97519437	356.419	TZYZBXDLYQHWNH-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-082506
COc1ncccc1C(=O)N1Cc2ccnn2CCC1COCC1CC1	EMOLS-id_313822754	356.419	ADWGUCUFLVROJP-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-082527
Cc1c([C@@H]2[C@@H](C(=O)N3CCCc4occc4C3)CC(=O)N2C)cnn1C	MCULE-9795762021,ZINC22_685211565,EMOLS-id_316197638	356.419	DBFLTBMWXIEYFO-KSSFIOAISA-N	00000010100000000101100000000010000000000000000000000000	31-01-082507
Cc1noc(C)c1C(=O)N1CCc2ccc(C(=O)NCC3CC3)n2CC1	ZINC22_585110983,EMOLS-id_313776832	356.419	OFZPLSPICQTJHZ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-082508
CCC1(C)Oc2c(O1)cc(cc2)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101853739	356.419	RWHITZBORWOBSG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082509
CC(C)c1cccc(C(=O)O)c1CCCn1cnc2c1NC=NCC2O	CHEMBL288017,BindingDB_PC-id_10784478,PC-id_10784478	356.419	WCWQUDJXNHTWQN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082510
CCCc1ccc(C(=O)OC)cc1CCn1cnc2c1NC=NCC2O	CHEMBL289027,BindingDB_PC-id_10546179,PC-id_10546179	356.419	JCGVGGSVGRTHFI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082511
CC[C@H](c1nn2c(c1)CN(CCC2)CCn1c(=O)oc2c1cccc2)O	PC-id_99970844	356.419	RAXUTHQXMQRYDC-QGZVFWFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082512
CC[C@@H](c1nn2c(c1)CN(CCC2)CCn1c(=O)oc2c1cccc2)O	PC-id_99970845	356.419	RAXUTHQXMQRYDC-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082513
C=CCOc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1OC	EMOLS-id_30678196,ZINC22_48285584,PC-id_47019784,MCULE-1672410597	356.419	DFAIYDRVEQRPAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082514
CCN(CCCc1ccccc1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244884257	356.419	YILDSXVRNSMTRU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082515
CCN(CCCc1ccccc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244884258	356.419	YILDSXVRNSMTRU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082516
CCOC(=O)c1cc(CC)cc(CCn2cnc3c2NC=NCC3O)c1	PC-id_10665962,CHEMBL36790,BindingDB_PC-id_10665962	356.419	KQKHATZTPALWEH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082517
CN1C(=O)CC[C@H](C(=O)N2CCCc3occc3C2)[C@H]1c1nccn1C	MCULE-8601222865,EMOLS-id_316204879,ZINC22_886078285	356.419	USBRFNMSKUMEDV-YOEHRIQHSA-N	00000000100010000101100000000010000000000000000000000000	31-01-082518
CN(CCOc1ccncc1NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	SCHEMBL6094392,PC-id_9924843	356.419	NRDSFQSDHKVUDQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-082519
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCCN2CC(=O)N(C)C	PC-id_66667542,SCHEMBL366278	356.419	WUIFIQXMXCUJNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082520
COc1ccc(cc1)C(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97519059	356.419	MOOSQZIPJZWKFC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082521
COc1cc(ccc1O)CN(C(=O)C1CCn2c(CC1)nnc2)C1CC1	EMOLS-id_258055646,MCULE-1833770114	356.419	PPXKMDZOSIRMCK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082522
COc1ccc(C(=O)C)cc1CC(=O)NCc1nnc2n1CCCCC2	ZINC22_48275996,PC-id_47014559,MCULE-9830950686,EMOLS-id_30673334	356.419	YZBIPERXTXGYAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082523
COc1ccc(C(=O)N(C)Cc2nnc3n2CCOCC3)cc1C1CC1	MCULE-5488760820,EMOLS-id_320332228,ZINC22_1615545603	356.419	BMWHXVQLLJROEG-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-082524
COc1cc(C(=O)N2CCCn3nc([C@@H](O)C4CCC4)cc3C2)ccn1	ZINC22_223134987,PC-id_100198514	356.419	KXIARTPADIKOFI-SFHVURJKSA-N	00001000100000101101000000000010000000000000000000000000	31-01-082525
COc1cc(C(=O)N2CCCn3nc([C@H](O)C4CCC4)cc3C2)ccn1	ZINC22_223135056,PC-id_100198528	356.419	KXIARTPADIKOFI-GOSISDBHSA-N	00001000100000101101000000000010000000000000000000000000	31-01-082526
COc1ncccc1C(=O)N1Cc2ccnn2CC[C@H]1COCC1CC1	ZINC22_585096680	356.419	ADWGUCUFLVROJP-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-082528
COc1ncccc1C(=O)N1Cc2ccnn2CC[C@@H]1COCC1CC1	ZINC22_585096681	356.419	ADWGUCUFLVROJP-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-082529
COc1ncccc1C(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1	ZINC22_96207385,PC-id_97475512	356.419	NTLWMQBFHLSHKN-OAHLLOKOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-082530
COc1ncccc1C(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1	ZINC22_96207386,PC-id_97475513	356.419	NTLWMQBFHLSHKN-HNNXBMFYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-082531
COc1ncccc1C(=O)N1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49230071	356.419	NTLWMQBFHLSHKN-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-082532
COCCCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_20964711,CoCoCo_2544508,EMOLS-id_16324620,MCULE-5406674958	356.419	VFKRGOHXESZEGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082533
COC(=O)CCCC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356149296,MCULE-3143187446,EMOLS-id_337808433	356.419	TUDNHQZUUMHCNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082534
n12CCC(CCc1nn(CCOc1ccccc1)c2=O)C(=O)NC1CC1	MCULE-8399668204,EMOLS-id_207876656	356.419	NIUIMMSTKDJBEF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082535
n12CCN(CCc1nn(CC1CC1)c2=O)C(=O)COCc1ccccc1	PC-id_91922452,MCULE-6235476079,EMOLS-id_50586761	356.419	RDBZSXPMPLHABX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082536
n1n2CCCN(CC(=O)N3CCc4ccccc34)Cc2cc1C(CO)O	PC-id_91788312,EMOLS-id_55683835,MCULE-4990768026	356.419	RSTOZFKDSNLDBA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082537
O1c2cc(CCC(=O)NCCc3n4CCCCCc4nn3)ccc2OC1	PC-id_55535671	356.419	NBGUQSHUDMKRMG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082538
OC1c2n(CCCCC(Cc3ccccc3)C(=O)O)cnc2NC=NC1	PC-id_10832113	356.419	XFOAWIZTNZIUPS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082539
OC1(CC(=O)N2Cc3ccnn3CCC2COc2cccnc2)CCC1	EMOLS-id_313820962	356.419	PTHKMSCMGWYPCN-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-082540
O=C1N(CCCn2nc(cc12)C(=O)NCCOC)Cc1cc(ccc1)C	PC-id_53029192	356.419	WJJCCJYETIHUHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082541
O=C(c1c2c(CCCCC2)[nH]n1)NC1CCN(C(=O)c2occc2)CC1	EMOLS-id_323254457,MCULE-5440849739	356.419	MPLZDELAORFCOG-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-082542
O=C(c1ncoc1C1CC1)N1CCCn2nc([C@H](O)C3CCC3)cc2C1	PC-id_100049195,ZINC22_219890357	356.419	ACNGXLZCHISKFU-QGZVFWFLSA-N	00101000100000000101100000000010000000000000000000000000	31-01-082543
O=C(c1ncoc1C1CC1)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1	ZINC22_219890317,PC-id_100049194	356.419	ACNGXLZCHISKFU-KRWDZBQOSA-N	00101000100000000101100000000010000000000000000000000000	31-01-082544
O=C(Cc1cccc(c1)C(=O)O)NCCCc1nnc2n1CCCCC2	MCULE-3382733457,EMOLS-id_72074608,PC-id_120229844	356.419	NUFOJOSKHNMBAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082545
O=C(Cc1ccccc1C(=O)O)NCCCc1nnc2n1CCCCC2	PC-id_120229845	356.419	KFVHSSBBHSZEPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082546
O=C(Cc1ccc(cc1)C(=O)O)NCCCc1nnc2n1CCCCC2	PC-id_121863169,EMOLS-id_72438450,MCULE-2530007285	356.419	JERRKBNLYJJVFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082547
O=C(CC1(O)CCC1)N1Cc2ccnn2CC[C@H]1COc1cccnc1	ZINC22_585097790	356.419	PTHKMSCMGWYPCN-INIZCTEOSA-N	00001000100000101101000000000010000000000000000000000000	31-01-082548
O=C(CC1(O)CCC1)N1Cc2ccnn2CC[C@@H]1COc1cccnc1	ZINC22_585097791	356.419	PTHKMSCMGWYPCN-MRXNPFEDSA-N	00001000100000101101000000000010000000000000000000000000	31-01-082549
O=C(CCc1ccc(cc1)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_119180007	356.419	ANJONWWISAQYGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082550
O=C(CCc1ccccc1C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_120225611	356.419	VIJVQAAEUOIUHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082551
OC[C@@H](c1nn2c(c1)CN(CCC2)CC(=O)N1CCc2c1cccc2)O	PC-id_99986345	356.419	RSTOZFKDSNLDBA-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082552
OC[C@H](c1nn2c(c1)CN(CCC2)CC(=O)N1CCc2c1cccc2)O	PC-id_99986349	356.419	RSTOZFKDSNLDBA-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082553
O=C(COc1ccccc1)N1CCCn2nnc(COCC3CC3)c2C1	PC-id_97405197,ZINC22_96084370,EMOLS-id_46181747	356.419	LAVDUFDRIAIJFG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082554
O(CC(=O)NCc1n2CCCCCc2nn1)c1ccc(cc1)C(=O)CC	PC-id_51266253	356.419	FUDZGXVLFMFKOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082555
O=C(N1CCCc2c(C1)cco2)Nc1cccc(n1)CN1CCOCC1	EMOLS-id_316528010	356.419	XILSRPVBTPMCGS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082556
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)[C@@H](N)Cc1ccccc1	PC-id_56896576	356.419	OFWMGBVHBQMFJI-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082557
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)C(N)Cc1ccccc1	PC-id_76426438	356.419	OFWMGBVHBQMFJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082558
O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cn2c(n1)CCNCC2	ZINC22_1857717948	356.419	HNXBXVXDEWTIMW-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082559
O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cn2c(n1)CCNCC2	ZINC22_1857717949	356.419	HNXBXVXDEWTIMW-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082560
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)Cc1ccccc1	PD086298,PC-id_9820070,CHEMBL35929,BindingDB_PC-id_9820070	356.419	KENABUKLZKAHBP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-082561
c12CN(CCCn1nc(C#N)c2)C(=O)c1ccc(cc1)c1ccc(cc1)C	ZINC22_952980664,EMOLS-id_290020719,MCULE-6051459723	356.42	QSKKFDFVFUNWPQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082562
C1CCc2nnc(n2CC1)C(=Cc1cc(ccc1)Oc1ccccc1)C#N	PC-id_86769255,EMOLS-id_44488177,MCULE-5076448882	356.42	ZJTDKJWXJIYDRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082563
n12CCN(CCc1nnc2Cc1ccccc1)C(=O)C#Cc1ccccc1	MCULE-1717881758,PC-id_42421876,ZINC22_12129125,CoCoCo_1315294,EMOLS-id_20530465	356.42	KUZNLDODMGDDAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082564
N#C/C(=C/c1cccc(c1)Oc1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3456328	356.42	ZJTDKJWXJIYDRW-JXAWBTAJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082565
N#C/C(=Cc1cccc(c1)Oc1ccccc1)/c1nnc2n1CCCCC2	PC-id_6297990,CoCoCo_3456327	356.42	ZJTDKJWXJIYDRW-NBVRZTHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082566
Oc1ccccc1C(n1ncc2c1C=CCC=C2)n1ncc2c1C=CCC2	PC-id_144519150	356.42	OLYJKXYGFRPGSO-UHFFFAOYSA-N	00000000100011110111000000010010000000000000000000000000	31-01-082567
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(OCC)cccc1	PC-id_46656967	358.455	JAQSVJHMBZGLNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084593
c1(sccc1S(=O)(=O)N)C(=O)N1CCCn2nc(CO)cc2C1	MCULE-9174556838,PC-id_91786432,EMOLS-id_55678335	356.421	UZIOMTNHUYNFIV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-082568
c12CN(CCCn1nc(CNc1ccc(cn1)C(=O)C)c2)C(=O)N(C)C	PC-id_70762833,EMOLS-id_44443805,ZINC22_82134894,MCULE-3280476738	356.422	QBHCWZIGINETKF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082569
c12CN(CCCn1nc(CNc1cc(OC)ncn1)c2)C(=O)C1CCC1	MCULE-4069689433,EMOLS-id_44430449,PC-id_70724529,ZINC22_82098863	356.422	SVSCCLPXGMXIBN-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-082570
c12CN(CCCn1nc(CNc1ncc(cn1)OC)c2)C(=O)C1CCC1	MCULE-8204977348,EMOLS-id_44436437,PC-id_70741395,ZINC22_82114401	356.422	KEQVROVWRKTUSF-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-082571
c12CN(CCCn1nc(CNC(=O)c1cccc(C)n1)c2)C(=O)N(C)C	MCULE-2742797456,PC-id_70748594,ZINC22_82120554,EMOLS-id_44438905	356.422	FIDWZCVPSHJFHI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082572
c12CN(CCCn1nc(CNC(=O)c1ccc(nc1)C)c2)C(=O)N(C)C	ZINC22_82125351,PC-id_70754831,EMOLS-id_44441109,MCULE-7130710390	356.422	WTABTNBQBYFHIT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082573
c12CN(CCCn1nc(CNC(=O)c1cnn(C)c1)c2)C(=O)C1CCC1	ZINC22_77385329,EMOLS-id_43572823,MCULE-9732395320,PC-id_70734675	356.422	WFYQEPWBHHJOQX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-082574
c12CN(CCCn1nc(CNC(=O)c1[nH]cc(C)n1)c2)C(=O)C1CCC1	MCULE-8177725657,EMOLS-id_44448357,ZINC22_82147869,PC-id_70775879	356.422	JNSZBPXJECBRCO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-082575
c12CN(CCCn1nc(CNC(=O)Cn1cccn1)c2)C(=O)C1CCC1	EMOLS-id_44446315,MCULE-2604750794,PC-id_70769958,ZINC22_82138694	356.422	ZJJFITBPFJWEJS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-082576
c12CN(CCCn1nc(CNC(=O)Cn1ccnc1)c2)C(=O)C1CCC1	MCULE-5854227690,ZINC22_82108848,EMOLS-id_44434945,PC-id_70737279	356.422	RXHIJUVTSLVOSX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-082577
c12C(=O)N(C)CCn1nc(C(=O)N(C)Cc1c3CCCCCc3[nH]n1)c2	MCULE-5105442379,ZINC22_1857677804,PC-id_146042255,EMOLS-id_324105837	356.422	NDKXUNBGFXIOSV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-082578
c12nc(C)cc(C)n1ncc2CN1CCCn2c(cc(n2)C(CO)O)C1	PC-id_91777251,EMOLS-id_55651836,MCULE-8844730187	356.422	ANBGHIGPZWFSET-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082579
c12nnnn1CCCCC2C(=O)N1CCC(CC1)(O)c1ccc(cn1)C	EMOLS-id_36574630,PC-id_56742652,MCULE-5017401932	356.422	XPRFMDUECWCUEC-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-082580
C1CC1Cn1c(=O)n2CCC(CCc2n1)NC(=O)c1n[nH]c(c1)C1CC1	PC-id_91922757	356.422	OERATQHSNGAGCN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-082581
c1(C(=O)NCCNc2c(cccn2)C)cc2n(CCCN(C(=O)C)C2)n1	EMOLS-id_32382428,MCULE-7985444277,PC-id_50955656,ZINC22_65384435	356.422	NBUKVRLYBUOTCD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082582
c1(C(=O)N)cn2c(CCN(C(=O)CCc3c4CCCCc4[nH]n3)CC2)n1	MCULE-3311296648,ZINC22_1875248824,EMOLS-id_331151400	356.422	QHROEMCUNOAKCA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-082583
Cc1ccc(C2(O)CCN(C(=O)[C@H]3CCCCn4nnnc34)CC2)nc1	PC-id_95199291,ZINC22_67673845	356.422	XPRFMDUECWCUEC-AWEZNQCLSA-N	00000000100010101101100000000010000000000000000000000000	31-01-082584
Cc1ccc(C2(O)CCN(C(=O)[C@@H]3CCCCn4nnnc34)CC2)nc1	ZINC22_67673844,PC-id_95199290	356.422	XPRFMDUECWCUEC-CQSZACIVSA-N	00000000100010101101100000000010000000000000000000000000	31-01-082585
Cc1cnc(cn1)C(=O)N1Cc2ccnn2CCC1CN1CCOCC1	EMOLS-id_313817130	356.422	MUSOWXPDWLZEKU-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-082586
Cc1cnc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCOCC2)cn1	ZINC22_585097580	356.422	MUSOWXPDWLZEKU-HNNXBMFYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-082587
Cc1cnc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCOCC2)cn1	ZINC22_585097581	356.422	MUSOWXPDWLZEKU-OAHLLOKOSA-N	00000000100010100101000000000010000000000000000000000000	31-01-082588
Cc1nc2c(c(=O)n1C)CN(C(=O)NCc1n[nH]c3c1CCCCC3)C2	MCULE-4665261058,EMOLS-id_177442080,ZINC22_426531543,PC-id_121504941	356.422	GJSIPFKAGCHSKM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082589
CCc1ccc(cn1)C(=O)N1CC(Cn2ncnc2C1)C(=O)NC(C)C	EMOLS-id_313722585	356.422	DLMALGAEIDJCEB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082590
CCc1ccc(C(=O)N2Cc3ncnn3C[C@H](C(=O)NC(C)C)C2)cn1	ZINC22_1565548516	356.422	DLMALGAEIDJCEB-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082591
CCc1ccc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)NC(C)C)C2)cn1	ZINC22_1614930472	356.422	DLMALGAEIDJCEB-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082592
C[C@H]1C[C@@H]1C(=O)N[C@H]1CN(C(=O)CCc2cnc[nH]2)Cc2nccn2C1	ZINC22_1875408086	356.422	NZIISJAHYRJQRO-CFVMTHIKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-082593
C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnc[nH]2)Cc2nccn2C1	ZINC22_1875408087	356.422	NZIISJAHYRJQRO-QEJZJMRPSA-N	00100000100000000101000000000010000000000000000000000000	31-01-082594
Cn1ncc(c1)C1=CCCN(C1)C(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_316651222	356.422	XFEZGFNGWSMTJN-UHFFFAOYSA-N	00000000100011000101100000000010000000000000000000000000	31-01-082595
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)C(=O)c1cnc(C)cn1	EMOLS-id_50586225,PC-id_91910880	356.422	FVFDPXFTMHZDPY-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-082596
CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1cccc3nonc13)C2	PC-id_100030065,ZINC22_218939971	356.422	CQDCRPQOXLLVSP-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082597
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc3nonc13)C2	ZINC22_218939901,PC-id_100030063	356.422	CQDCRPQOXLLVSP-QGZVFWFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082598
CN(C)CC(O)c1cc2CN(Cc3cccc4nonc34)CCCn2n1	EMOLS-id_55620778,PC-id_91766403,MCULE-3780922648	356.422	CQDCRPQOXLLVSP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082599
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc2c(c1)OCO2	PC-id_111844087	356.422	OUXJUCLAAQJGFX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082600
COc1ccccc1C1CCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163141	356.422	VDTMFTYEWYVJQE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082601
COc1ccc(cc1)C1CCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183138	356.422	YNMVIOCUVVFJIN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082602
COc1cccc(c1)C1CCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183234	356.422	HHYMDUZWVFKYOV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082603
COc1ccc(cc1)C1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102159076	356.422	XEOGHHBOOZIGRK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082604
COc1ccccc1C1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163444	356.422	ZAASMBIBVCOQIP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082605
COc1cccc(c1)C1NCCN(C1)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_318982373	356.422	LTDPEOQAIURXAL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082606
n12CCC(CCc1n[nH]c2=O)CC(=O)N1CCN(CC1)c1ccccn1	PC-id_146074169,EMOLS-id_207877164,MCULE-9353657319	356.422	CZXYKHKRCJWWGM-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-082607
NC(=O)Nc1cccc(c1)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_119129603,MCULE-6203798133,EMOLS-id_72104078	356.422	CTFRXQUCYZWEMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082608
o1cc(CN2CCCn3nc(cc3C2)CN(Cc2onc(n2)C)C)cc1	PC-id_56888222	356.422	PIEHDZQVPVGACK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-082609
Oc1ccc(cc1)CN1CCN(CC1)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_319073560	356.422	ONTHZEQPTXFCCF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-082610
Oc1cc(ncn1)C(=O)N1Cc2ccnn2CCC1CN1CCCCC1	PC-id_137212873,EMOLS-id_313741748	356.422	GJDNXFAEZUNTEQ-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-082611
O=C(c1cc(O)ncn1)N1Cc2ccnn2CC[C@H]1CN1CCCCC1	ZINC22_585096980,PC-id_137186391	356.422	GJDNXFAEZUNTEQ-AWEZNQCLSA-N	00000000100010100101000000000010000000000000000000000000	31-01-082612
O=C(c1cc(O)ncn1)N1Cc2ccnn2CC[C@@H]1CN1CCCCC1	ZINC22_585096982,PC-id_137186392	356.422	GJDNXFAEZUNTEQ-CQSZACIVSA-N	00000000100010100101000000000010000000000000000000000000	31-01-082613
OC[C@@H](c1cc2n(n1)CCCN(C2)Cc1cnn2c1nc(C)cc2C)O	PC-id_99974725	356.422	ANBGHIGPZWFSET-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082614
OC[C@H](c1cc2n(n1)CCCN(C2)Cc1cnn2c1nc(C)cc2C)O	PC-id_99974726	356.422	ANBGHIGPZWFSET-QGZVFWFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082615
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)c1ncnc(c1)N1CCOCC1	EMOLS-id_316666456	356.422	ZCYMJXHRSYQYTO-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-082616
O=C(N1CCc2n(CC1)c(nn2)Cc1cccnc1)CN1CCOCC1	PC-id_118789179,MCULE-3038654172,EMOLS-id_68928439	356.422	GQPAQJTZROAJHJ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082617
O=C(N1CCCn2nc(cc2C1)CNc1nc(OC)ccn1)C1CCC1	PC-id_70782584	356.422	SGVAQXPOCWYOGF-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-082618
O=C(N1CCOC(C1)Cc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102167029	356.422	NHPKMLISEAPESS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-082619
O=C(NC1CCn2c(CC1)nnn2)NC1CCOC(C1)c1ccccc1	EMOLS-id_102170237	356.422	KAAWXSIZDCKKSA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082620
O=C(NCc1nnc2n1CCCCC2)c1ccc(N2CCOCC2)nc1	EMOLS-id_23980416,ZINC22_32902609,CoCoCo_4625781,PC-id_40138839,MCULE-7552140445	356.422	SUQFIWGVCUPXJM-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-082621
n12CCCCCc1nnc2C(=Cc1c2c(n(c1)CCC#N)cccc2)C#N	PC-id_78650359	356.424	HOFWYXRHYQLYOY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-082622
n12CCCCCc1nnc2/C(=C/c1c2c(n(c1)CCC#N)cccc2)/C#N	PC-id_8275434	356.424	HOFWYXRHYQLYOY-DTQAZKPQSA-N	00000000100000100101000001100010000000000000000000000000	31-01-082623
c12C(CCCCn1nnn2)C(=O)NCCc1ncnc(N2CCCC2)c1	EMOLS-id_43094501,MCULE-6773366954,PC-id_56891196	356.425	SOIQWFZXZARTBD-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-082624
Cc1ccnc(c1)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165223	356.425	SELAMQBEFBZYCO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-082625
CC(C)(C)n1c2c(cn1)c(=O)[nH]c(n2)NCc1nnc2n1CCCCC2	PC-id_137265002	356.425	OJXLGQMUXJRWCR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082626
CCn1cnnc1CN1CCCn2c(C1)cc(n2)[C@H](c1ccnn1C)O	PC-id_100321268	356.425	PBIKOEIQUNDCCS-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082627
CCn1cnnc1CN1CCCn2c(cc(n2)C(c2ccnn2C)O)C1	PC-id_91797200	356.425	PBIKOEIQUNDCCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082628
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1nccnc1N	PC-id_30177535	356.425	OXYRCPTVIFSAOL-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-082629
O=C(Nc1ccc(nc1)N1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102006759	356.425	YFSMFLBWLLEHKO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-082630
O=C(NCCc1cc(N2CCCC2)ncn1)[C@@H]1CCCCn2nnnc12	PC-id_95867095,ZINC22_72419000	356.425	SOIQWFZXZARTBD-CQSZACIVSA-N	00000010100000100101100000000010000000000000000000000000	31-01-082631
O=C(NCCc1cc(N2CCCC2)ncn1)[C@H]1CCCCn2nnnc12	PC-id_95867096,ZINC22_72419001	356.425	SOIQWFZXZARTBD-AWEZNQCLSA-N	00000010100000100101100000000010000000000000000000000000	31-01-082632
CCOC(=O)c1sc(c2c1OCCCCCCCO2)C(=O)OCC	PC-id_101801832	356.434	WKXDXQGJDBNLRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082633
CCOC(=O)c1sc(c2c1OCC(CO2)(CC)CC)C(=O)OCC	SCHEMBL2926559,PC-id_11291247	356.434	AWKSQGSLOFPZNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082634
Fc1ccccc1C(=O)N1CC(CCOCC2CC2)Cn2cccc2C1	EMOLS-id_313838884	356.434	QKEICUPMJAPAPC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082635
FC(SCc1ccc(o1)CNCCc1nnc2n1CCCCC2)F	PC-id_119111950	356.434	WKXGXEDLPFWIKI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-082636
O=C(c1ccccc1F)N1Cc2cccn2C[C@H](CCOCC2CC2)C1	ZINC22_585095420	356.434	QKEICUPMJAPAPC-KRWDZBQOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082637
O=C(c1ccccc1F)N1Cc2cccn2C[C@@H](CCOCC2CC2)C1	ZINC22_585095423	356.434	QKEICUPMJAPAPC-QGZVFWFLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082638
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)Cc1ccccc1F	MCULE-6832565146,ZINC22_91680623,PC-id_72895141,EMOLS-id_46066643	356.437	ONSTXKPXNNSSHX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082639
c1(cc2n(CCCN(C(C)C)C2)n1)C(=O)N1CCC1c1ccc(cc1)F	PC-id_50955072,EMOLS-id_32381330,MCULE-3369633335	356.437	WERVXGFAOWAKLU-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-082640
c1(cn2c(CCNCC2)n1)C(=O)N1CCCCCC1c1cccc(F)c1	MCULE-2181690761,EMOLS-id_330443269	356.437	LYCOWQZHMXXPNJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082641
Cc1ccc(cc1F)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	PC-id_97519393,ZINC22_96259309,EMOLS-id_44370162	356.437	FZRVIGGFFRPJLQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082642
CC(C)N1CCCn2nc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)cc2C1	ZINC22_65383422,PC-id_95122846	356.437	WERVXGFAOWAKLU-LJQANCHMSA-N	00001000100000110101100000000010000000000000000000000000	31-01-082643
CC(C)N1CCCn2nc(C(=O)N3CC[C@H]3c3ccc(F)cc3)cc2C1	ZINC22_65383423,PC-id_95122847	356.437	WERVXGFAOWAKLU-IBGZPJMESA-N	00001000100000110101100000000010000000000000000000000000	31-01-082644
CCOP(=O)(Cc1oc2c(c1)CCCCCCCCCC2)OCC	PC-id_102395399	356.437	NFTACGTZFCXEHZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-082645
Fc1ccc(cc1)C1CCC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101701850	356.437	RPYZMZVDFJGASZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082646
Fc1cccc(c1)C1CCC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101705903	356.437	YWWMZMQTSKXLQG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082647
Fc1cccc(c1)CC1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319884555,MCULE-7779950338	356.437	TZNFXPANCLCNAN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-082648
Fc1ccccc1CC(=O)N1Cc2ccnn2CCC1CN1CCCC1	EMOLS-id_313818155	356.437	SYSLSIWIVTYTSD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082649
Fc1cccc(c1)CC(=O)N1CCCn2c(C1)c(nc2)CN1CCCC1	PC-id_97519376	356.437	UNNJCEKGXTUVFZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082650
Fc1ccc(cc1)[C@@H]1CCNC[C@@H]1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_319253547	356.437	HWOBSLUBAUNHRV-IRXDYDNUSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082651
Fc1cccc(c1)[C@@H]1CCNC[C@@H]1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_319679732	356.437	QAGHGEADLDOFOX-IRXDYDNUSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082652
Fc1ccc(CC(=O)N2CCCn3cnc(CN4CCCC4)c3C2)cc1	EMOLS-id_44370160,PC-id_97519392,ZINC22_96259308	356.437	SNPHJETUPREEJN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082653
O=C(c1cn2c(n1)CCNCC2)N1CCCCC[C@@H]1c1cccc(F)c1	ZINC22_1857718055	356.437	LYCOWQZHMXXPNJ-GOSISDBHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082654
O=C(c1cn2c(n1)CCNCC2)N1CCCCC[C@H]1c1cccc(F)c1	ZINC22_1857718056	356.437	LYCOWQZHMXXPNJ-SFHVURJKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082655
O=C(Cc1ccccc1F)N1Cc2ccnn2CC[C@H]1CN1CCCC1	ZINC22_585098068	356.437	SYSLSIWIVTYTSD-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082656
O=C(Cc1ccccc1F)N1Cc2ccnn2CC[C@@H]1CN1CCCC1	ZINC22_585098069	356.437	SYSLSIWIVTYTSD-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-082657
O=C(NCc1nnc2n1CCCCC2)C1(c2ccccc2F)CCCC1	PC-id_138997010,EMOLS-id_320314103,ZINC22_67507943,MCULE-2946108590	356.437	GLTPNDPQUXXKSC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082658
O=C(NCc1nnc2n1CCCCC2)C1(c2ccc(F)cc2)CCCC1	ZINC22_41820397,EMOLS-id_320298486,MCULE-9014724449,PC-id_138996383	356.437	AKXFGTVZTOBCML-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082659
O=C(NCCc1nnc2n1CCCCC2)C1(c2cccc(F)c2)CCC1	PC-id_53512235,MCULE-8731141710,ZINC22_44227831,EMOLS-id_35694892	356.437	YLRPTOKIPINTLJ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-082660
c1(NC(=O)c2ccc(cc2)C(=O)C)sc2c(CCCCC2)c1C(=O)N	MCULE-7688086953,ZINC22_4176890,EMOLS-id_4948411,CoCoCo_5014654,PC-id_4321581	356.439	IDLAZZVJNRUCLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082661
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCCCC2)c1C#N	CoCoCo_4975985,EMOLS-id_5386248,PC-id_4069669,MCULE-7910326075,ZINC22_4079567	356.439	XZRPDLQARUIGQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082662
c1(NC(=O)c2ccc(cc2OC)OC)sc2c(CCCCC2)c1C#N	MCULE-4052862843,CoCoCo_5816593,PC-id_3471018,EMOLS-id_4034423,ZINC22_2739091	356.439	VKDYYOJFWKESLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082663
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C#N	CoCoCo_276786,PC-id_1149329,STOCK2S-47311,ChEMBL-DNDi_CHEMBLF1015-0297,EMOLS-id_1415702,BAS-03072308,ZINC22_894731,TIMTEC362405,MCULE-1990944773	356.439	OPZBONGHZKHUEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082664
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCCCC2)c1C#N	CoCoCo_683251,ChEMBL-DNDi_CHEMBL5694356,ZINC22_996092,MCULE-5461194206,TIMTEC121650,PC-id_1220895,EMOLS-id_2017852,SPECS-id_AK-968/12100104	356.439	DHGUQGRJPKKGML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082665
c1(NC(=O)C2C(C(=O)O)C3CC2C=C3)sc2c(CCCCC2)c1C#N	SPECS-id_AK-968/12971311,BindingDB-id_113335,MCULE-6550508992,TIMTEC506475,BAS-04055105,CHEMBL1362302,EMOLS-id_1444571,BindingDB_PC-id_3149155,ChEMBL-DNDi_CHEMBL1362302,PC-id_3149155	356.439	VOSIPQAIPKUIDN-UHFFFAOYSA-N	00000011100000000100000000000110000000000000000000000000	31-01-082666
c1(NC(=O)COc2ccccc2OC)sc2c(CCCCC2)c1C#N	CoCoCo_366597,EMOLS-id_1498158,PC-id_1089246,STOCK4S-30382,BAS-07387432,MCULE-7138725593,ZINC22_808300,ChEMBL-DNDi_CHEMBL7681295	356.439	GMESBJZQCFECQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082667
c1(NC(=O)COc2ccc(cc2)OC)sc2c(CCCCC2)c1C#N	MCULE-6356711476,ZINC22_784682,CoCoCo_326553,BAS-04893518,EMOLS-id_1458236,STOCK3S-39017,PC-id_1076020	356.439	UVPNLWBTUMDWCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082668
COc1ccc2oc(C(=O)Nc3nc4c(s3)CCCCC4)c(C)c2c1	ZINC22_25002527,CoCoCo_4546119,PC-id_24603975,EMOLS-id_44038018,MCULE-9151540920	356.439	QEOIKKQMSAOIQM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082669
COC(=O)c1ccc(cc1)/C=CC(=O)Nc1nc2c(s1)CCCCC2	CoCoCo_4546130	356.439	SJSGPBLQFNUNBO-XFXZXTDPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082670
COC(=O)c1ccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)cc1	CoCoCo_4546129,PC-id_26158070,ZINC22_14554319,EMOLS-id_45609110	356.439	SJSGPBLQFNUNBO-FMIVXFBMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082671
COC(=O)c1ccc(C=CC(=O)Nc2sc3c(CCCCC3)n2)cc1	MCULE-8379495437,PC-id_72058579,EMOLS-id_26229687	356.439	SJSGPBLQFNUNBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082672
N#Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_312731,PC-id_6567634,ZINC22_4141844	356.439	VOSIPQAIPKUIDN-OVTCNUJSSA-N	00000011100000000100000000000110000000000000000000000000	31-01-082673
N#Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_312732,PC-id_11879231,ZINC22_4141843	356.439	VOSIPQAIPKUIDN-CJTUPEFNSA-N	00000011100000000100000000000110000000000000000000000000	31-01-082674
N#Cc1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_169689778	356.439	VOSIPQAIPKUIDN-DPDCMNJDSA-N	00000011100000000100000000000110000000000000000000000000	31-01-082675
N#Cc1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_239425993	356.439	VOSIPQAIPKUIDN-KUDNYVPYSA-N	00000011100000000100000000000110000000000000000000000000	31-01-082676
N#Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_312733	356.439	VOSIPQAIPKUIDN-OXUXUCFPSA-N	00000011100000000100000000000110000000000000000000000000	31-01-082677
N#Cc1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_312734	356.439	VOSIPQAIPKUIDN-TZCMFKBTSA-N	00000011100000000100000000000110000000000000000000000000	31-01-082678
N#Cc1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_312735	356.439	VOSIPQAIPKUIDN-IRHXVLAXSA-N	00000011100000000100000000000110000000000000000000000000	31-01-082679
N#Cc1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_312737	356.439	VOSIPQAIPKUIDN-OJXGSEEGSA-N	00000011100000000100000000000110000000000000000000000000	31-01-082680
N#Cc1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_312738	356.439	VOSIPQAIPKUIDN-KTQGLZRJSA-N	00000011100000000100000000000110000000000000000000000000	31-01-082681
N#Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	PC-id_7111776,CoCoCo_312736	356.439	VOSIPQAIPKUIDN-LZJQFABFSA-N	00000011100000000100000000000110000000000000000000000000	31-01-082682
N#Cc1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2	ZINC22_100507829,PC-id_20022007	356.439	VOSIPQAIPKUIDN-QMMBQJITSA-N	00000011100000000100000000000110000000000000000000000000	31-01-082683
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(OC)cc1	PC-id_25443782	358.455	XWLBYHFYNCNWAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084616
N#Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2	ZINC22_100507832,PC-id_23306720	356.439	VOSIPQAIPKUIDN-GREKMHCPSA-N	00000011100000000100000000000110000000000000000000000000	31-01-082684
O=C1NCCCc2sc(C(=O)N3CC[C@@H](c4ccc(O)cc4)C3)cc12	ZINC22_1875295603	356.439	KUQPGUQZCMANCA-CYBMUJFWSA-N	00000010100000110100100000000010000000000000000000000000	31-01-082685
O=C1NCCCc2sc(C(=O)N3CC[C@H](c4ccc(O)cc4)C3)cc12	ZINC22_1875295604	356.439	KUQPGUQZCMANCA-ZDUSSCGKSA-N	00000010100000110100100000000010000000000000000000000000	31-01-082686
O=C(Nc1cccc(N2CCOC2=O)c1)c1cc2c(s1)CCCCC2	ZINC22_46223054,EMOLS-id_30656089,PC-id_47026386,MCULE-3345133018	356.439	ABISTTLJXOWXPV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082687
s1c2CCCCCc2cc1C(=O)NN=Cc1ccc(cc1)C(=O)OC	PC-id_78620876	356.439	CIYXWSCJNXMXAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082688
s1c2CCCCCc2cc1C(=O)NN=Cc1c(cccc1)C(=O)OC	PC-id_84972612	356.439	KJXTZZAGPFWLBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082689
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc2CCOc2cc1	PC-id_46581184	356.439	RJWMNZQVWQCLBT-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-082690
s1c2CCCCCc2cc1C(=O)NNC(=O)C(=O)c1ccc(cc1)C	PC-id_37213283	356.439	HJQRBMUBIWTOGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082691
s1c2CCCCCc2c(c1NC(=O)c1c(OC)ccc(OC)c1)C#N	PC-id_16848733	356.439	BRSKZLNGUBBBGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082692
s1c2CCCCCc2c(c1NC(=O)c1c(OC)c(OC)ccc1)C#N	PC-id_7532988	356.439	XCDVNXZHGWDTNN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082693
s1c2CCCCCc2nc1NC(=O)c1oc2c(c1COC)cccc2	PC-id_16605141	356.439	WRNASQDIIQOBKV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082694
s1c2c(CCCCCC2)cc1C(=O)N1CCc2c1cc([N+](=O)[O-])cc2	PC-id_60362192	356.439	UIGPHLFFJYDZAN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-082695
s1c2c(N(C(=O)[C@@H](N(C2=O)CC=C)C)Cc2ccc(OC)cc2)cc1	PC-id_44204172	356.439	XYWUBUYDZBGDEJ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082696
s1c2c(N(C(=O)C(N(C2=O)CC=C)C)Cc2ccc(OC)cc2)cc1	PC-id_74950697	356.439	XYWUBUYDZBGDEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082697
s1c(NC(=O)[C@@H]2C3CC([C@@H]2C(=O)O)C=C3)c(c2c1CCCCC2)C#N	PC-id_44631859	356.439	VOSIPQAIPKUIDN-DETCHVMESA-N	00000011100000000100000000000110000000000000000000000000	31-01-082698
CC1(CCCO1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_72898539,EMOLS-id_46069143,MCULE-2151415377	356.44	IALMCKZHWBPCDD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082699
C[C@]1(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)CCCO1	PC-id_97137100,ZINC22_91707824	356.44	IALMCKZHWBPCDD-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082700
C[C@@]1(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)CCCO1	PC-id_97137101,ZINC22_91707827	356.44	IALMCKZHWBPCDD-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082701
CC1OC(C)CN(C1)C(=O)CS(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_111004140	356.44	WYCYTUDESNHJAR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082702
CC(C(=O)NCC1CCCO1)S(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_313140820,PC-id_136577017,MCULE-9495955520	356.44	MNRRQJAVGMKULT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082703
C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1nnc2n1CCCCC2	ZINC22_642616550	356.44	MNRRQJAVGMKULT-NEPJUHHUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082704
C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1nnc2n1CCCCC2	ZINC22_642616551	356.44	MNRRQJAVGMKULT-NWDGAFQWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082705
C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1nnc2n1CCCCC2	ZINC22_642616552	356.44	MNRRQJAVGMKULT-RYUDHWBXSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082706
C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1nnc2n1CCCCC2	ZINC22_642616553	356.44	MNRRQJAVGMKULT-VXGBXAGGSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082707
CCN(C)C(=O)c1cnn2c1CN(C(=O)CCS(=O)(=O)C)CCC2	EMOLS-id_313766337,ZINC22_1565546311	356.44	ZARYZBLUBAIXQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082708
CCOC(=O)N1CCCn2nc(CN3CCS(=O)(=O)CC3)cc2C1	PC-id_56911567,ZINC22_72475193,MCULE-3548343020,EMOLS-id_232812097	356.44	RADSTGHUDFAZOF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082709
CS(=O)(=O)N1Cc2cncn2C[C@H](COCC(=O)N2CCCC2)C1	PC-id_97487221,ZINC22_96220354	356.44	BJUQWNZHIKKSOH-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082710
CS(=O)(=O)N1Cc2cncn2C[C@@H](COCC(=O)N2CCCC2)C1	PC-id_97487224,ZINC22_96220357	356.44	BJUQWNZHIKKSOH-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082711
CS(=O)(=O)N1CCCn2nc(CNC(=O)C3CCOCC3)cc2C1	ZINC22_82099815,MCULE-3900303427,PC-id_70726899,EMOLS-id_44431243	356.44	JXHMNFLMCGBCRX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082712
CS(=O)(=O)N1CC(COCC(=O)N2CCCC2)Cn2cncc2C1	EMOLS-id_49238817	356.44	BJUQWNZHIKKSOH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082713
CS(=O)(=O)NC[C@@H]1CN(C(=O)C2CCOCC2)Cc2ccnn2C1	ZINC22_247522197	356.44	LUZAHNIFGCLOAY-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082714
CS(=O)(=O)NC[C@H]1CN(C(=O)C2CCOCC2)Cc2ccnn2C1	ZINC22_247522199	356.44	LUZAHNIFGCLOAY-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082715
O=C(c1noc2c1CCCCC2)N1CCCC(C1)CNS(=O)(=O)N	EMOLS-id_111825221	356.44	GOTZBNGLAGPYJC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082716
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1sc2c(cccc2)n1	PC-id_56914570,MCULE-7094364082,EMOLS-id_43172920,ZINC22_72478410	356.442	UQPPCUJXSGCDQJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082717
c12CN(CCCn1nc(CO)c2)C(=O)CCc1sc2c(cccc2)n1	PC-id_91788331,MCULE-8146050100,EMOLS-id_55683895	356.442	ONSNTJXAAGEYQP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082718
c1(cc2c(ccs2)[nH]1)C(=O)N1CCCn2c(cc(n2)C(O)C2CC2)C1	PC-id_91779051,MCULE-4808407233,EMOLS-id_55657014	356.442	YGZVEYWTNDCLQY-UHFFFAOYSA-N	00100000100000000101000100000010000000000000000000000000	31-01-082719
Cc1cc2c(cc1NC(=O)c1cnc3n1CCCCC3)sc(=O)n2C	EMOLS-id_319131415	356.442	QBXUGZBNKCPTCJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082720
Cc1n[nH]c(=O)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c1C	ZINC22_72272714,EMOLS-id_42865441,PC-id_72153199,MCULE-1928787653	356.442	NSFXDNCYFORZQI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082721
CC(C)c1noc2ncc(C(=O)Nc3nc4c(s3)CCCCC4)cc12	CoCoCo_4546262,PC-id_24611860,ZINC22_22326156	356.442	IHENAUIOCLMGDU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082722
CN1C(=O)Cc2cc(C(=O)CSc3nnc4n3CCCCC4)ccc12	MCULE-9144615712,ZINC22_9494187,EMOLS-id_11907124,PC-id_17402876,CoCoCo_4173169	356.442	IICVEBRPQCNIKF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082723
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(OC)ccc1	PC-id_9441649	358.455	UYVUOEMNRDYDOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084617
COc1ccc(c2nc(CSc3nnc4n3CCCCC4)co2)cc1	ZINC22_42688532,MCULE-2120088113,EMOLS-id_30707422,PC-id_47020967	356.442	OIHRHYBGJOVPIG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082724
COc1ccc(cc1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135724683	356.442	ZHFXQLNDODNFDH-NXVVXOECSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082725
N#Cc1c(NC(=O)c2cc3n(n2)CCCO3)sc2c1CCCCCC2	EMOLS-id_100831050	356.442	CKBKNEWEPBHTPU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-082726
O=C(c1cc2sccc2[nH]1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	PC-id_100059427,ZINC22_220480280	356.442	YGZVEYWTNDCLQY-QGZVFWFLSA-N	00100000100000000101000100000010000000000000000000000000	31-01-082727
O=C(c1cc2sccc2[nH]1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_220480210,PC-id_100059424	356.442	YGZVEYWTNDCLQY-KRWDZBQOSA-N	00100000100000000101000100000010000000000000000000000000	31-01-082728
O=C(c1cccnc1)N1CCc2nc(C(=O)N3CCCC3)sc2CC1	PC-id_97442557,ZINC22_96147033,EMOLS-id_44304034	356.442	DUQKPDFOPWJXCR-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-082729
O=C(c1nc2c(s1)CCN(CC2)C(=O)c1ccncc1)N1CCCC1	PC-id_97442556	356.442	BGRJOYWWQOQXRH-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-082730
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccc2c(c1)CC(=O)N2C	CoCoCo_4173171,CoCoCo_4173172	356.442	NINHNNQWTIZONU-RVDMUPIBSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082731
O/C(=CSc1nnc2n1CCCCC2)/c1ccc2c(c1)CC(=O)N2C	CoCoCo_4173173,CoCoCo_4173170	356.442	NINHNNQWTIZONU-PTNGSMBKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082732
O=C(Nc1nc2c(s1)CCCCC2)c1cccc(N2CCNC2=O)c1	ZINC22_58086153,EMOLS-id_31950623,MCULE-7021533010,PC-id_47034164	356.442	PEUCRLDVICHKAB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082733
O=C(NCCn1c(O)nc2ccccc12)c1cc2c(s1)CCCNC2	ZINC22_2325778214	356.442	JNCSVSZACHBNEW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082734
O=S(=O)(c1ccccc1)n1cccc1CN1CCCn2cncc2C1	PC-id_56894434,MCULE-3892441536,EMOLS-id_43108009,ZINC22_72150587	356.442	XSFRTGMISUZLNG-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-082735
S(c1n2CCCCCc2nn1)Cc1oc(c2ccc(OC)cc2)cn1	PC-id_48630943	356.442	OOTJSHONEHMVBE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-082736
S(c1n2CCCCCc2nn1)CC(=O)c1cc2C(C(=O)Nc2cc1)C	PC-id_78679830	356.442	PHTNBLKVPJMTIE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082737
S(c1n2CCCCCc2nn1)CC(=O)c1cc2[C@H](C(=O)Nc2cc1)C	PC-id_8379689	356.442	PHTNBLKVPJMTIE-LLVKDONJSA-N	00000010100000100101000000001010000000000000000000000000	31-01-082738
S(c1n2CCCCCc2nn1)CC(=O)c1cc2[C@@H](C(=O)Nc2cc1)C	PC-id_8379691	356.442	PHTNBLKVPJMTIE-NSHDSACASA-N	00000010100000100101000000001010000000000000000000000000	31-01-082739
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1ccc(OC)cc1	PC-id_84869333	356.442	KRZBDAQCXXDDBT-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-082740
S(CC(=O)/C(=C
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C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CN1C(=O)CSC1=S	PC-id_90625513	356.444	KHZCOYKEEMIROI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082742
O=C(N1CCN(CC1)S(=O)(=O)C)NCc1nnc2n1CCCCC2	EMOLS-id_110375708	356.444	WGWUOICROIMFKX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082743
c12C(CCCCn1nnn2)C(=O)NCCCc1sc2c(cccc2)n1	PC-id_118770836,EMOLS-id_68891419,MCULE-7083782497	356.445	QMPNWNWIVRXNTK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082744
c12CN(CCCn1nc(CNc1nc(C)nc3sccc13)c2)C(=O)C	PC-id_70738360,ZINC22_85479380,MCULE-1466069706,EMOLS-id_44435271	356.445	SNSZIMZCDBDXJM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082745
c12CN(CCCn1nc(C#N)c2)C(=O)C(C)Sc1nc(C)cc(C)n1	EMOLS-id_177380298,MCULE-9810185998	356.445	YFHDZEAPDNQCKW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082746
c1cc(SCc2nnc(NCc3n[nH]c4c3CCCCC4)o2)ccn1	MCULE-1658587173,EMOLS-id_317503362,PC-id_137335055,ZINC22_1772707356	356.445	QLZWFFVQLNXISF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082747
c1(C(=O)NCc2nnc3CCCCCn23)cc(n(C)n1)c1cccs1	PC-id_91763025,EMOLS-id_55611297,MCULE-9145617629	356.445	JGMJBNGXBVVOKS-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-082748
c1(C(=O)NCc2nnc3CCCCCn23)[nH]nc(c2ccc(C)s2)c1	ZINC22_91390944,EMOLS-id_44705365,PC-id_70717792,MCULE-8255648379	356.445	JUKAXABUDHJWML-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-082749
Cc1cc(C)n2nc(CC(=O)Nc3nc4c(s3)CCCCC4)nc2n1	PC-id_47029404,MCULE-7653463544,EMOLS-id_44103984,ZINC22_48366075	356.445	BSSXVNQNFXEZNT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082750
Cc1cc(C)nc(S[C@H](C)C(=O)N2CCCn3nc(C#N)cc3C2)n1	ZINC22_584887154	356.445	YFHDZEAPDNQCKW-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082751
Cc1cc(C)nc(S[C@@H](C)C(=O)N2CCCn3nc(C#N)cc3C2)n1	ZINC22_584887155	356.445	YFHDZEAPDNQCKW-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082752
Cc1nc2ccc(NC(=O)NCc3nnc4n3CCCCC4)cc2s1	PC-id_47032482,MCULE-7991017378,EMOLS-id_31944349,ZINC22_48235544	356.445	RFUHGTXLNGPJNW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082753
Cc1scc(n1)CN1CCCn2c(C1)c(COc1ccccn1)nn2	PC-id_97413553	356.445	GKXKAPVYXBZXKV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082754
CCn1ncc(c1)c1n[nH]cc1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_100628699	356.445	SGRXJBYBEUFVCT-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-082755
CCN(c1nc(cs1)C=C(C#N)c1nnc2n1CCCCC2)C(=O)C	EMOLS-id_26221997,MCULE-8813321682,PC-id_86776059	356.445	GAMDHYAYGQITAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082756
CN(Cc1cc(c2cccs2)n[nH]1)C(=O)c1cc2n(n1)CCCNC2	EMOLS-id_32396766,MCULE-1871302700,PC-id_50963231,ZINC22_67818973	356.445	MGLXGYNLXCSDOR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-082757
CN(C(=O)c1sc2c(c1N)cccn2)Cc1nnc2n1CCCCC2	MCULE-1631566023,EMOLS-id_320238798	356.445	KRQASVGUCRZVPJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082758
N#C/C(=C/c1csc(n1)N(C(=O)C)CC)/c1nnc2n1CCCCC2	CoCoCo_4367078	356.445	GAMDHYAYGQITAF-LCYFTJDESA-N	00000000100000000101000000000010000000000000000000000000	31-01-082759
N#C/C(=Cc1csc(n1)N(C(=O)C)CC)/c1nnc2n1CCCCC2	PC-id_17402350,CoCoCo_4367077	356.445	GAMDHYAYGQITAF-UKTHLTGXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082760
O=C(c1sc2c(c1N)cccn2)NCCc1nnc2n1CCCCC2	EMOLS-id_319116443	356.445	VUBWFYXPESATMQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082761
O=C(NCCc1nnc2n1CCCCC2)Nc1nc2ccccc2s1	MCULE-2780557111,EMOLS-id_35555971,PC-id_51326160,ZINC22_55083890	356.445	SXRORBIQQXEAJG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082762
O=C(NCCCc1nc2ccccc2s1)[C@@H]1CCCCn2nnnc12	ZINC22_299758836	356.445	QMPNWNWIVRXNTK-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082763
O=C(NCCCc1nc2ccccc2s1)[C@H]1CCCCn2nnnc12	ZINC22_299758837	356.445	QMPNWNWIVRXNTK-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-082764
CCCCCCc1cc(c2-c1ccc(cc2)CC(=O)OC)C(=O)OCC	PC-id_141580591	356.455	FVHDMZJFXBLOHT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-082765
CCN(Cc1ccc(C#N)cc1F)C(=O)c1cc2c(s1)CCCCC2	ZINC22_60589221,EMOLS-id_35710556,MCULE-1018649025,PC-id_53520374	356.457	GCANOQQJDDAHED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082766
O(CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)C(=O)C#Cc1ccccc1	PC-id_11631780	356.457	GWGFEGXNRWRPTK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-082767
CCc1cc2n(c1C(=O)c1cccn1C)CCCCC2C(=O)OC(C)C	PC-id_70534347,SCHEMBL11194977	356.459	BUSAHZIEKFOSCX-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-082768
CCCc1cc2n(c1C(=O)c1[nH]ccc1)CCCCC2C(=O)OC(C)C	PC-id_70537602,SCHEMBL11205931	356.459	RHSJUHHFOFGUCV-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-082769
CCCCc1cc2n(c1C(=O)c1cccn1CC)CCCCC2C(=O)O	PC-id_70536685,SCHEMBL11203164	356.459	RVPQXWLFIDZIEG-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-082770
CCCn1cccc1C(=O)c1ccc2n1CCCCC2C(=O)OC(C)C	SCHEMBL11198386,PC-id_70535191	356.459	GJPUWDZSOCAKLI-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-082771
CC(C)OCc1ccc(CNC(=O)CN2CCCc3occc3C2)cc1	EMOLS-id_177250568,MCULE-9566783692,ZINC22_585083953	356.459	WEOZPZGHWDGSKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082772
CCn1cccc1C(=O)c1c(C)cc2n1CCCCC2C(=O)OC(C)C	SCHEMBL11197664,PC-id_70535003	356.459	QXXRHSGQZUUHHF-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-082773
CC(c1ccc2-c1ccccc2)NCCCc1ccc(o1)c1ccccn1	PC-id_68814271,SCHEMBL3853350	356.46	UHNKHXKDEVKBGL-UHFFFAOYSA-N	00000010101000101110100000000010000000000000000000000000	31-01-082774
CC(c1ccc2-c1ccccc2)NCCCc1ccc(o1)c1cccnc1	SCHEMBL3857383,PC-id_68816018	356.46	KHAQCJKNANGORI-UHFFFAOYSA-N	00000010101000101110100000000010000000000000000000000000	31-01-082775
CC(c1ccc2-c1ccccc2)NCCCc1ccc(o1)c1ccncc1	PC-id_68817723,SCHEMBL3861329	356.46	MXZWTHFVZQJGES-UHFFFAOYSA-N	00000010101000101110100000000010000000000000000000000000	31-01-082776
COc1ccccc1N1CCN(CC1)Cc1cc(c2-c1ccccc2)C#C	BindingDB_PC-id_71461481,PC-id_71461481	356.46	HNCOLMVXXZHGHT-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-082777
S1(=O)(=O)CC(CC1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_84925836	356.46	FUBLKGROCKJMQL-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-082778
S1(=O)(=O)C[C@@H](CC1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_9082830	356.46	FUBLKGROCKJMQL-LLVKDONJSA-N	00000010100000000100000000000010000000000000000000000000	31-01-082779
S1(=O)(=O)C[C@H](CC1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_9082833	356.46	FUBLKGROCKJMQL-NSHDSACASA-N	00000010100000000100000000000010000000000000000000000000	31-01-082780
c12CN(CCC)CCCn1nc(CNC(=O)c1ccc(cc1)OCC)c2	EMOLS-id_44451877,ZINC22_82167341,MCULE-2001293112,PC-id_70786007	356.462	OKUUMLHDANLYAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082781
c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)Cc1ccc(C)o1	EMOLS-id_46052683,MCULE-4213152088,ZINC22_91587131,PC-id_72876013	356.462	FPMBHKOSKBUGLH-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-082782
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)C1CCC=CC1	EMOLS-id_46053515,MCULE-2556844795,PC-id_72877086	356.462	BMEMGVSSXAZCOS-UHFFFAOYSA-N	00100000100011000101000000000010000000000000000000000000	31-01-082783
c12CN(CCCn1nc(CNC(=O)c1cccc(C)c1O)c2)CC(C)C	ZINC22_82137347,MCULE-5390464203,EMOLS-id_44445017,PC-id_70766345	356.462	LZTRDDNKSMDGJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082784
c12CN(CCCn1nc(CNC(=O)Cc1ccc(cc1)O)c2)CC(C)C	MCULE-9651469723,EMOLS-id_44438631,ZINC22_82120350,PC-id_70747721	356.462	BMVCGMZLVHJKGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082785
c12CN(CCCn1nc(CNC(=O)Cc1ccccc1O)c2)CC(C)C	PC-id_70752069,MCULE-5783904825,EMOLS-id_44440121,ZINC22_82121990	356.462	OVZUTENYNDGNTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082786
c12CN(CCCn1nc(CNC(=O)Cc1cccc(O)c1)c2)CC(C)C	ZINC22_82139313,MCULE-1892781758,PC-id_70772509,EMOLS-id_44447147	356.462	CTVFMJKHDHLKKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082787
c12CN(CCCn1nc(CNC(=O)OCc1ccccc1)c2)CC(C)C	PC-id_70777625,MCULE-5357095986,ZINC22_82155934,EMOLS-id_44448955	356.462	COPHDBVKZWARIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082788
c1ccc(CN2Cc3cncn3C[C@@H](COCC3CCOCC3)C2)nc1	PC-id_97484351,ZINC22_96217293	356.462	GNKUTRZDVBSYBX-SFHVURJKSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082789
c1ccc(CN2Cc3cncn3C[C@H](COCC3CCOCC3)C2)nc1	ZINC22_96217290,PC-id_97484348	356.462	GNKUTRZDVBSYBX-GOSISDBHSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082790
c1cc(COC[C@H]2CN(CC3CCOCC3)Cc3cncn3C2)ccn1	PC-id_97476146,ZINC22_96208019	356.462	CJJYRXNAYHYUDV-IBGZPJMESA-N	00000000100010101101000000000010000000000000000000000000	31-01-082791
c1cc(COC[C@@H]2CN(CC3CCOCC3)Cc3cncn3C2)ccn1	PC-id_97476147,ZINC22_96208020	356.462	CJJYRXNAYHYUDV-LJQANCHMSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082792
c1(CN(C)CC(=O)NCc2ccccc2OC)c2CCCCCc2[nH]n1	MCULE-9896046928,ZINC22_244840318,EMOLS-id_55656256,PC-id_91836192	356.462	UKYMEBPPVNGTDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082793
c1(CN(C)C(=O)c2ccc(CN3CCCC3)o2)c2CCCCCc2[nH]n1	ZINC22_827887517,EMOLS-id_232897335,MCULE-1450509970	356.462	KNYXSJVSXAYCIX-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-082794
c1(CN(C)C(=O)NC(C)c2ccc(cc2)OC)c2CCCCCc2[nH]n1	EMOLS-id_177426011,MCULE-1123703185	356.462	CKEJMEAKLHENRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082795
c1(C(O)C2CC2)cc2n(CCCN(Cc3ncc(c(OC)c3C)C)C2)n1	PC-id_91779618,MCULE-8814897661,EMOLS-id_55658744	356.462	VPHCSKCFWYOEHA-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-082796
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)c(C)cc(n(CC)c1=O)C	MCULE-4745748018,EMOLS-id_68884315,PC-id_118767471,ZINC22_299771677	356.462	VMWVCRPDAQQPBE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082797
CC1(CCC=CC1)C(=O)N1CCCn2ncc(C(=O)N3CCCC3)c2C1	EMOLS-id_313771980	356.462	SVVCHZMGLXPFRJ-UHFFFAOYSA-N	00000010100011000101000000000010000000000000000000000000	31-01-082798
Cc1cccc(CN2Cc3cncn3C[C@H](COCC(=O)N(C)C)C2)c1	PC-id_97484377,ZINC22_96217321	356.462	PFJBAJKEFXHNQW-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082799
Cc1cccc(CN2Cc3cncn3C[C@@H](COCC(=O)N(C)C)C2)c1	PC-id_97484380,ZINC22_96217324	356.462	PFJBAJKEFXHNQW-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082800
CC1CCN(CC2CCn3nccc3CN2C(=O)c2ccoc2C)CC1	EMOLS-id_313817383	356.462	LLABZOSZUFKRGF-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-082801
Cc1c(COC(C)C)cccc1NC(=O)N1CCCc2c(cnn2C)C1	MCULE-9925701960,ZINC22_886084536,EMOLS-id_316207145	356.462	GFNPUIOHHFWEKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082802
C[C@@]1(C(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)CC=CCC1	ZINC22_1565545968	356.462	SVVCHZMGLXPFRJ-HXUWFJFHSA-N	00000010100011000101000000000010000000000000000000000000	31-01-082803
C[C@]1(C(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)CC=CCC1	ZINC22_1614927462	356.462	SVVCHZMGLXPFRJ-FQEVSTJZSA-N	00000010100011000101000000000010000000000000000000000000	31-01-082804
Cc1occc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCC(C)CC1	ZINC22_585097414	356.462	LLABZOSZUFKRGF-KRWDZBQOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-082805
Cc1occc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCC(C)CC1	ZINC22_585097415	356.462	LLABZOSZUFKRGF-QGZVFWFLSA-N	00000000101010000101000000000010000000000000000000000000	31-01-082806
CCc1ccccc1NC(=O)N1CCCn2c(C1)c(COC(C)C)nc2	PC-id_97520016	356.462	XWSWXJARMAXQJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082807
CCc1ccc(NC(=O)N2CCCn3cnc(COC(C)C)c3C2)cc1	EMOLS-id_44371410,ZINC22_96259937,PC-id_97520017	356.462	KRPLRWIENRVCRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082808
CCc1ccc(o1)C1CCCCCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319664225	356.462	OMDMWRGLVKACCT-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-082809
CC(CC(c1ccccc1)NC(=O)Cn1nc2n(c1=O)CCCCC2)C	MCULE-4747765662,EMOLS-id_24086313,PC-id_42890489	356.462	RVFLYSKJRILJNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082810
CC(C)C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1ccccc1	ZINC22_12988013,CoCoCo_4692519,PC-id_25651899	356.462	RVFLYSKJRILJNT-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082811
CC(C)C[C@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1ccccc1	ZINC22_12988016,CoCoCo_4692520,PC-id_25651900	356.462	RVFLYSKJRILJNT-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082812
CC(C[C@H]1COCc2nnn(c2)CC[C@H](C(=O)N1)Cc1ccccc1)C	CHEBI:126472,PC-id_54649846	356.462	PJFGCUVPYCUKFQ-ROUUACIJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082813
CC(C[C@@H]1COCc2nnn(c2)CC[C@H](C(=O)N1)Cc1ccccc1)C	CHEBI:127814,PC-id_54649844	356.462	PJFGCUVPYCUKFQ-ZWKOTPCHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082814
CC(C[C@@H]1COCc2nnn(c2)CC[C@@H](C(=O)N1)Cc1ccccc1)C	PC-id_54649843,CHEBI:127332	356.462	PJFGCUVPYCUKFQ-QZTJIDSGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082815
CC(C[C@H]1COCc2nnn(c2)CC[C@@H](C(=O)N1)Cc1ccccc1)C	PC-id_54649845,CHEBI:129714	356.462	PJFGCUVPYCUKFQ-MSOLQXFVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082816
CC(C[C@H]1COCn2nncc2CC[C@@H](C(=O)N1)Cc1ccccc1)C	CHEBI:126910,PC-id_54649858	356.462	DBONWOYYEUOBEW-MSOLQXFVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082817
CC(C[C@H]1COCn2nncc2CC[C@H](C(=O)N1)Cc1ccccc1)C	CHEBI:129240,PC-id_54649859	356.462	DBONWOYYEUOBEW-ROUUACIJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082818
CCC(CN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1)(O)C	EMOLS-id_316710876	356.462	OHJALSGVMNZTIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082819
CCCCOc1ccc(cc1)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316651093	356.462	ZJFYVLADVOVKLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082820
CC(CCOc1ccccc1NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_318158345	356.462	WDWGDFGZLAQERA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082821
CCCCOc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1	EMOLS-id_18874526,ZINC22_24747200,MCULE-5631613597,CoCoCo_4491031,PC-id_32063814	356.462	KTVJODCATACQLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082822
CC(C)N(C)Cc1ncn2c1CN(C(=O)COc1ccccc1)CCC2	PC-id_97519320,ZINC22_96259236,EMOLS-id_44370018	356.462	IIMBXHKLJQPISJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082823
CCC(Oc1cc(C)ccc1CNC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319123681	356.462	VVBQVUMJEZXZNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082824
C[C@@H]([C@H](C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)N)OCc1ccccc1	EMOLS-id_318034096	356.462	CXICXJLROYMXCP-KBXCAEBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082825
CCN(CC)CC1CN(Cc2ccnn2C1)C(=O)c1ccc(OC)cc1	EMOLS-id_50371427	356.462	OEPVWRRMMOBQRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082826
CCN(CC)C[C@H]1CN(C(=O)c2ccc(OC)cc2)Cc2ccnn2C1	ZINC22_248138238	356.462	OEPVWRRMMOBQRN-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082827
CCN(CC)C[C@@H]1CN(C(=O)c2ccc(OC)cc2)Cc2ccnn2C1	ZINC22_248138243	356.462	OEPVWRRMMOBQRN-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082828
Cn1cccc1C(=O)N1Cc2ccnn2CCC1COCC1CCCC1	EMOLS-id_313745078	356.462	YABHJRFFCBLUCK-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-082829
Cn1cccc1C(=O)N1Cc2ccnn2CC[C@@H]1COCC1CCCC1	ZINC22_585098424	356.462	YABHJRFFCBLUCK-GOSISDBHSA-N	00000010110000000101000000000010000000000000000000000000	31-01-082830
Cn1cccc1C(=O)N1Cc2ccnn2CC[C@H]1COCC1CCCC1	ZINC22_585098426	356.462	YABHJRFFCBLUCK-SFHVURJKSA-N	00000010110000000101000000000010000000000000000000000000	31-01-082831
CN(C)CCC1CN(Cc2ccnn2C1)C(=O)CCOc1ccccc1	EMOLS-id_50376655	356.462	SRLVCMMVVIOVLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082832
CN(C)CC[C@H]1CN(C(=O)CCOc2ccccc2)Cc2ccnn2C1	ZINC22_248139235	356.462	SRLVCMMVVIOVLE-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082833
CN(C)CC[C@@H]1CN(C(=O)CCOc2ccccc2)Cc2ccnn2C1	ZINC22_248139239	356.462	SRLVCMMVVIOVLE-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082834
CN(C)C(=O)COCC1CN(Cc2cccc(C)c2)Cc2cncn2C1	EMOLS-id_49235965	356.462	PFJBAJKEFXHNQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082835
CN(C)C(=O)COCC[C@@H]1CN(Cc2ccncc2)Cc2cccn2C1	ZINC22_585095216	356.462	ILDVHGZNTDETOG-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082836
CN(C)C(=O)COCC[C@H]1CN(Cc2ccncc2)Cc2cccn2C1	ZINC22_585095217	356.462	ILDVHGZNTDETOG-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082837
COc1ccc(cc1)C(C(=O)N1CCCc2c(C1)cnn2C)NC(C)C	EMOLS-id_316510919	356.462	DIUYGQZCDXCMDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082838
COc1ccccc1CN1CCn2c(COCC3CC3)nnc2CC1C	EMOLS-id_313827109	356.462	ASXCBYGKZMSRNY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082839
COc1ccccc1CN1CCn2c(COCC3CC3)nnc2C[C@@H]1C	ZINC22_585096790	356.462	ASXCBYGKZMSRNY-HNNXBMFYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082840
COc1ccccc1CN1CCn2c(COCC3CC3)nnc2C[C@H]1C	ZINC22_585096791	356.462	ASXCBYGKZMSRNY-OAHLLOKOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-082841
COc1cccc(c1)C(=O)N1CCCn2cnc(CN(C)C(C)C)c2C1	EMOLS-id_44370020,PC-id_97519321,ZINC22_96259237	356.462	QVIMOKTZXRLXEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082842
OCc1ccc(CN2Cc3ccnn3CCC2CN2CCOCC2)cc1	EMOLS-id_313815338	356.462	KBJVDZWWQMGLIJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-082863
COc1ccc(cc1)C(=O)N1CCCn2cnc(CN(C)C(C)C)c2C1	ZINC22_96259238,PC-id_97519322,EMOLS-id_44370022	356.462	TWCANRSEGSNTLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082843
COc1cccc(c1)Nc1ncc2n1CCCN(C2)CC1CCOCC1	PC-id_118173681,SCHEMBL16835332	356.462	SSYAZEHKPJMXOG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-082844
COc1ccc(cc1OCC(=C)C)CNCc1nnc2n1CCCCC2	MCULE-6125142121,EMOLS-id_51560679,PC-id_121853983	356.462	ZCMAUZAYAZHCKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082845
COc1ccc([C@H](C)NC(=O)N(C)Cc2n[nH]c3c2CCCCC3)cc1	ZINC22_584893060	356.462	CKEJMEAKLHENRD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082846
COc1ccc([C@@H](C)NC(=O)N(C)Cc2n[nH]c3c2CCCCC3)cc1	ZINC22_584893061	356.462	CKEJMEAKLHENRD-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082847
COc1c(C)cnc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)c1C	ZINC22_220554355,PC-id_100060764	356.462	VPHCSKCFWYOEHA-IBGZPJMESA-N	00100000100000101101000000000010000000000000000000000000	31-01-082848
COc1c(C)cnc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)c1C	ZINC22_220554427,PC-id_100060766	356.462	VPHCSKCFWYOEHA-LJQANCHMSA-N	00100000100000101101000000000010000000000000000000000000	31-01-082849
COc1ccc(OC)c(c1)C1CCN(Cc2cc3CNCCCn3n2)C1	PC-id_56901442,EMOLS-id_43134308,MCULE-1518377996	356.462	SXTAYMOICORYBS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082850
COc1ccc(OC)c([C@@H]2CCN(Cc3cc4n(n3)CCCNC4)C2)c1	PC-id_95714981,ZINC22_72144984	356.462	SXTAYMOICORYBS-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082851
COc1ccc(OC)c([C@H]2CCN(Cc3cc4n(n3)CCCNC4)C2)c1	PC-id_95714982,ZINC22_72144985	356.462	SXTAYMOICORYBS-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-082852
C(OCc1ccncc1)C1CN(CC2CCOCC2)Cc2cncn2C1	EMOLS-id_49231037	356.462	CJJYRXNAYHYUDV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082853
C(OCC1CN(Cc2ccccn2)Cc2cncn2C1)C1CCOCC1	EMOLS-id_49235945	356.462	GNKUTRZDVBSYBX-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082854
O1CC(NC(=O)C(CCc2n(nnc2)C1)Cc1ccccc1)CC(C)C	PC-id_76161103	356.462	DBONWOYYEUOBEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082855
O1CC(NC(=O)C(CCn2nnc(C1)c2)Cc1ccccc1)CC(C)C	PC-id_76161098	356.462	PJFGCUVPYCUKFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082856
Oc1ccc(cc1)CC(C(=O)N(Cc1nnc2n1CCCCC2)C)(C)C	EMOLS-id_319121345	356.462	BBVPFUJHGOSENR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082857
O(c1cc(c(C(C)C)cc1)C)CC(=O)NCc1n2CCCCCc2nn1	PC-id_51266275	356.462	JFLUGLHTKTYCHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082858
O(c1cc(C(C)C)ccc1C)CC(=O)NCc1n2CCCCCc2nn1	PC-id_51266276	356.462	LSVRDDMPKWTKSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082859
O(c1ccc(C(C)(C)C)cc1)CC(=O)NCc1n2CCCCCc2nn1	PC-id_46524840	356.462	NRNFASYUJQXBRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082860
O(c1c(C(C)(C)C)cccc1)CC(=O)NCc1n2CCCCCc2nn1	PC-id_51266348	356.462	HOZYMEYMCFBNPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082861
O(c1c(C(CC)C)cccc1)CC(=O)NCc1n2CCCCCc2nn1	PC-id_51314591	356.462	CIANJAZBMVSUQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082862
S(=O)(C(C1C=CC=CC=C1)c1c2-c(ccc2)cccc1)c1ccccc1	PC-id_85672122	356.48	QQWQRJCLWYJAOK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-082983
OCc1ccc(CN2Cc3ccnn3CC[C@H]2CN2CCOCC2)cc1	ZINC22_585097321	356.462	KBJVDZWWQMGLIJ-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-082864
OCc1ccc(CN2Cc3ccnn3CC[C@@H]2CN2CCOCC2)cc1	ZINC22_585097324	356.462	KBJVDZWWQMGLIJ-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-082865
O=C(C1CCn2c(CC1)nnc2)NCCOc1cccc(c1)C(C)(C)C	MCULE-1179029684,EMOLS-id_319957020	356.462	RAMYDRXRSJVBRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082866
O=C(CCc1cc2n(n1)CCCN(C(=O)[C@@H]1CC=CCC1)C2)NC1CC1	PC-id_97126539,ZINC22_91594136	356.462	BMEMGVSSXAZCOS-OAHLLOKOSA-N	00100000100011000101000000000010000000000000000000000000	31-01-082867
O=C(CCc1cc2n(n1)CCCN(C(=O)[C@H]1CC=CCC1)C2)NC1CC1	ZINC22_91594134,PC-id_97126538	356.462	BMEMGVSSXAZCOS-HNNXBMFYSA-N	00100000100011000101000000000010000000000000000000000000	31-01-082868
O(CCC(C)C)c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266265	356.462	KNILSSRYPZBXCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082869
O(CCC(=O)NCCc1n2CCCCCc2nn1)c1c(c(ccc1)C)C	PC-id_55596677	356.462	WEJUKQOJAJPWGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082870
O=C(N1CCCc2c(C1)cnn2C)NC1CC(C)(C)Cc2c1cc(o2)C	EMOLS-id_101719833	356.462	ZRYYAIDTLHADQG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-082871
O=C(N1CCCn2c(C1)cc(n2)OCc1ccccc1)CNC(C)(C)C	PC-id_117752002,SCHEMBL16309612	356.462	IDJOYYPPLQZABE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082872
O=CN1CCNCC1(CC)C(=O)NCCc1c(C)[nH]c2c1C=CCC=C2	PC-id_142104749	356.462	XWNUYLJNMUXPLD-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-082873
O=C(NCCc1n2CCCCCc2nn1)CCc1ccc(OCC)cc1	PC-id_60572483	356.462	UQAPEVBIGSFKGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082874
O=C(NCCc1n2CCCCCc2nn1)CCc1c(OCC)cccc1	PC-id_55535339	356.462	LUKNPDNTQICVAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082875
CC(C)Cn1nc2CCN(CCn2c1=O)S(=O)(=O)c1cccs1	EMOLS-id_55716832,MCULE-4845479069	356.464	ZTDPETXLENAPAG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-082876
CC(=O)NC(CCSC)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625484	356.464	KQPKXEPFWKCNGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082877
COC(c1scc(n1)CS(=O)(=O)c1nnc2n1CCCCC2)C	MCULE-7382569347,EMOLS-id_316309881	356.464	RTDVFLPNHPPFIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082878
CO[C@@H](C)c1nc(CS(=O)(=O)c2nnc3n2CCCCC3)cs1	ZINC22_176941969	356.464	RTDVFLPNHPPFIP-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-082879
CO[C@H](C)c1nc(CS(=O)(=O)c2nnc3n2CCCCC3)cs1	ZINC22_176941984	356.464	RTDVFLPNHPPFIP-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082880
c12CN(CCCn1nc(CCC(=O)NC1CCCC1)c2)Cc1c[nH]cn1	ZINC22_91594985,MCULE-9495155473,EMOLS-id_46053863,PC-id_72877567	356.465	QINBEZDLUSNLPJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082881
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cnn(CC)c1	ZINC22_82133939,EMOLS-id_44443007,MCULE-5735387537,PC-id_70760448	356.465	YJJGYLURVOJIFU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-082882
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1nccn1CC	PC-id_70716071,EMOLS-id_44427473,ZINC22_82096480,MCULE-2963164677	356.465	KBIGSRHYHSYCMC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-082883
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(cn1)CC	ZINC22_82134906,MCULE-8994901302,PC-id_70762856,EMOLS-id_44443817	356.465	YOSBCWVKSJLVDB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082884
c1cc([C@H]2OCC[C@@H]2NCc2nnc3n2CCCCC3)n(CC2CC2)n1	ZINC22_888078313,EMOLS-id_316086371,MCULE-5081573131	356.465	IPOHRJZWEQEEEH-KXBFYZLASA-N	00100010100000000101100000000010000000000000000000000000	31-01-082885
c1c(CN2CCC(Cc3noc(C4CC4)n3)CC2)nn2c1CNCCC2	EMOLS-id_43117227,MCULE-7853477723,ZINC22_72156320,PC-id_56896697	356.465	HJLGMWPNPTXTKG-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-082886
c1(ccn(C)n1)C1CCCCN1C(=O)CCc1cc2n(CCCNC2)n1	MCULE-9424057698,PC-id_70736207,EMOLS-id_43111749	356.465	YXKKUCIOBCLSKC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-082887
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3cccc(C)n3)CCn12	EMOLS-id_20459089,PC-id_45184079,MCULE-4948269478	356.465	MNJVCILTCMDRGI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082888
c1(CN2CCCn3c(cc(n3)C(O)CN(C)C)C2)cc(n(C)c1C)C#N	EMOLS-id_50537121,MCULE-5222082697,PC-id_90650421	356.465	RQBMUXQHBQPCTA-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-082889
c1(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cn(nc1C)C	MCULE-7995116773,ZINC22_82115583,PC-id_70744034,EMOLS-id_44437355	356.465	NFNUHENQDUYVEE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-082890
c1(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cnn(C)c1C	MCULE-4444176722,EMOLS-id_44437831,ZINC22_82116248,PC-id_70745404	356.465	RMLIYIDBCGSDJO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-082891
c1(C(O)C2CC2)cc2n(CCCN(Cc3cnc(nc3)NC(C)C)C2)n1	EMOLS-id_55696935,PC-id_91792751,MCULE-6876299449	356.465	DFYZRLGFHLFYEX-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-082892
c1(C(=O)N2CCC(CC2)c2[nH]nc(C(C)C)c2)nnc2CCCCCn12	PC-id_56723637,MCULE-2076015463,ZINC22_71279034,EMOLS-id_36467925	356.465	GCZHWUJGXLNAPM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-082893
c1(NC(=S)NC(=O)c2cccnc2)sc2c(CCCCC2)c1C#N	TIMTEC144227,CoCoCo_70932,PC-id_1102061,ZINC22_827136,BAS-00435416,STOCK2S-86834,EMOLS-id_1220740,MCULE-8275587081	356.465	FGOFBZMOVJJJKQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-082894
CC1CCC(CC1)C(=O)N1CCCn2cnc(Cn3nncc3C)c2C1	ZINC22_1565550176,EMOLS-id_313729501	356.465	SNUFSDAZUUTXGU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082895
Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)n1	CoCoCo_1212859,CoCoCo_1212858,ZINC22_20207481	356.465	MNJVCILTCMDRGI-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082896
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)n1	CoCoCo_1212860,ZINC22_20207477,CoCoCo_1212861	356.465	MNJVCILTCMDRGI-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082897
CC1CCn2c(C1)nc(c2)C(=O)NCCCc1nnc2n1CCCCC2	MCULE-6669039225,EMOLS-id_319854077	356.465	VLQRTGMUMLMRKO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-082898
Cc1c(CN2Cc3ccnn3CCC2CNC(=O)CC2CC2)cnn1C	EMOLS-id_313817895	356.465	DLONOAVIBIYPEI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-082899
Cc1c(CN2Cc3ccnn3CC[C@H]2CNC(=O)CC2CC2)cnn1C	ZINC22_585096829	356.465	DLONOAVIBIYPEI-KRWDZBQOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-082900
Cc1c(CN2Cc3ccnn3CC[C@@H]2CNC(=O)CC2CC2)cnn1C	ZINC22_585096831	356.465	DLONOAVIBIYPEI-QGZVFWFLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-082901
s1c2CCCCCCc2nc1NC(=O)C1C(NNC1)c1ccccc1	PC-id_76294588	356.485	JKEZACWNYUOPTE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083084
Cc1c(CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)cc(C#N)n1C	ZINC22_220378726,PC-id_100057587	356.465	RQBMUXQHBQPCTA-IBGZPJMESA-N	00000000110000000101000000000010000000000000000000000000	31-01-082902
Cc1c(CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)cc(C#N)n1C	ZINC22_220378792,PC-id_100057588	356.465	RQBMUXQHBQPCTA-LJQANCHMSA-N	00000000110000000101000000000010000000000000000000000000	31-01-082903
Cc1cc(NC(=O)N2CCCc3c(cnn3C)C2)nn1C1CCCCC1	ZINC22_333703865,EMOLS-id_101865510,MCULE-7596526643	356.465	DRWRGGKHCOTECY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-082904
Cc1ncc(C(=O)NCCCc2nnc3n2CCCCC3)c(C(C)C)n1	MCULE-1133852259,EMOLS-id_313161216,ZINC22_172142462	356.465	PVMSPOKNJNNIIX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082905
CCc1ccc(cn1)C(=O)N1CCCn2c(CN(C)C(C)C)nnc2C1	EMOLS-id_313730003,ZINC22_2055714908	356.465	YFOBWIPDVYTZTP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082906
CCCc1nc(NCCc2[nH]c3c(n2)C(=O)NCC(C3)(C)C)cc(n1)C	PC-id_50961883,MCULE-4175421572,EMOLS-id_32394240	356.465	JKKZLDSCFVQWKP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-082907
CCC(c1nnc2n1CCCCC2)NC(=O)c1nn(c2c1CCCC2)C	EMOLS-id_101228380	356.465	QAYIEAKENHPCGM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-082908
CCC(c1nnc2n1CCCCC2)NC(=O)Cc1cnn2c1CCCC2	EMOLS-id_319642025	356.465	MDLAONWIQVHIBM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-082909
CC(CC(c1nnc2n1CCN(CC2)Cc1ccccn1)NC(=O)C)C	PC-id_45209906,ChEMBL-DNDi_CHEMBL43493230	356.465	PPSFDNCVWQYYBZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082910
CC(C[C@H](c1nnc2n1CCN(CC2)Cc1ccccn1)NC(=O)C)C	CoCoCo_1375772,CoCoCo_1375773	356.465	PPSFDNCVWQYYBZ-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082911
CC(C[C@@H](c1nnc2n1CCN(CC2)Cc1ccccn1)NC(=O)C)C	CoCoCo_1375775,CoCoCo_1375774	356.465	PPSFDNCVWQYYBZ-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082912
CC(C[C@H](c1nnc2n1CCN(CC2)Cc1cccnc1)NC(=O)C)C	CoCoCo_1594479,PC-id_26349327,CoCoCo_1594478	356.465	CXJVDMDBYKZJGZ-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082913
CC(C[C@@H](c1nnc2n1CCN(CC2)Cc1cccnc1)NC(=O)C)C	PC-id_26349329,CoCoCo_1594481,CoCoCo_1594480	356.465	CXJVDMDBYKZJGZ-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082914
CC(C[C@@H](c1nnc2n1CCNCC2)NC(=O)Nc1ccc(cc1)C)C	PC-id_95222562	356.465	ZTCHPWIUAXWWJD-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082915
CC(C[C@H](c1nnc2n1CCNCC2)NC(=O)Nc1ccc(cc1)C)C	PC-id_95222563	356.465	ZTCHPWIUAXWWJD-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082916
CCC(C(=O)NCc1nnc2n1CCN(CC2)Cc1cccc(n1)C)C	ChEMBL-DNDi_CHEMBL74141550,PC-id_56858677	356.465	MTPGPMUHOLNMIQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082917
CC(C)n1cc(CN2Cc3ccnn3C[C@H](CN3CCCC3=O)C2)cn1	ZINC22_306128683	356.465	HIEFGPGQTZEPOR-KRWDZBQOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082918
CC(C)n1cc(CN2Cc3ccnn3C[C@@H](CN3CCCC3=O)C2)cn1	ZINC22_306128684	356.465	HIEFGPGQTZEPOR-QGZVFWFLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082919
CC(C)n1cc(CN2CC(CN3CCCC3=O)Cn3nccc3C2)cn1	EMOLS-id_50375975	356.465	HIEFGPGQTZEPOR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-082920
Clc1c2-c(c(/N=N/c3ccc(Cc4ccccc4)cc3)c1)ccccc2	PC-id_10546221	356.847	DYPGJTMUUUIEKJ-OCEACIFDSA-N	00000010100000110110000000000010000000000000000000000000	31-01-083186
CC(C)Nc1ncc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)cn1	PC-id_100244532,ZINC22_223401931	356.465	DFYZRLGFHLFYEX-SFHVURJKSA-N	00100000100000100101000000000010000000000000000000000000	31-01-082921
CC(C)Nc1ncc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)cn1	ZINC22_230577662	356.465	DFYZRLGFHLFYEX-GOSISDBHSA-N	00100000100000100101000000000010000000000000000000000000	31-01-082922
CCNC(=NCc1ccc(cc1)OC)NCc1nnc2n1CCCCC2	PC-id_111181281	356.465	GNHKULRISHYVKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082923
CCNC(=NCc1ccccc1OC)NCc1nnc2n1CCCCC2	PC-id_111216879	356.465	NNRPTKBTXWXYDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082924
CCNC(=NCc1cccc(c1)OC)NCc1nnc2n1CCCCC2	PC-id_111250419	356.465	CMCKFVUIZSRUMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082925
CCNC(=NCc1nnc2n1CCCCC2)NCCOc1ccccc1	PC-id_111006179	356.465	TZTBDSJYFCNYNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082926
CCOc1ccccc1CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111880813	356.465	SZCZSTXGRKNSGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082927
Cn1ccc(CC(=O)N2Cc3ccnn3CCC2CN2CCCCC2)n1	EMOLS-id_313816615	356.465	LYMBCMKSSOHSLD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082928
Cn1ccc(CC(=O)N2Cc3ccnn3CC[C@H]2CN2CCCCC2)n1	ZINC22_585097461	356.465	LYMBCMKSSOHSLD-KRWDZBQOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082929
Cn1ccc(CC(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCCC2)n1	ZINC22_585097463	356.465	LYMBCMKSSOHSLD-QGZVFWFLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-082930
Cn1ccc([C@@H]2CCCCN2C(=O)CCc2cc3n(n2)CCCNC3)n1	PC-id_95870377,ZINC22_72426064	356.465	YXKKUCIOBCLSKC-SFHVURJKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-082931
Cn1ccc([C@H]2CCCCN2C(=O)CCc2cc3n(n2)CCCNC3)n1	PC-id_95870378,ZINC22_72426065	356.465	YXKKUCIOBCLSKC-GOSISDBHSA-N	00000000100010000101100000000010000000000000000000000000	31-01-082932
CN(C)c1ccc(CNC(=O)NCCc2nnc3n2CCCCC3)cc1	PC-id_52231064,ZINC22_46072211,EMOLS-id_44091326,MCULE-2023679027	356.465	QOHICIUKZNWDDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082933
CN(Cc1ccnc(c1)NC(=O)N1Cc2cnn(c2CC(C1)(C)C)C)C	EMOLS-id_316689914	356.465	PMRCOYCDHCFYBN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082934
CN(Cc1nccc(c1)NC(=O)N1Cc2cnn(c2CC(C1)(C)C)C)C	EMOLS-id_316349412,MCULE-7082614574	356.465	MQYSVMGBMVVHON-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082935
CN(Cc1n[nH]c2c1CCCCC2)c1nccc(N2CCC[C@H](O)C2)n1	ZINC22_1529190638	356.465	JZMSAZOPQVINOV-AWEZNQCLSA-N	00000000100010100101100000000010000000000000000000000000	31-01-082936
CN(Cc1n[nH]c2c1CCCCC2)c1nccc(N2CCC[C@@H](O)C2)n1	ZINC22_1529190639	356.465	JZMSAZOPQVINOV-CQSZACIVSA-N	00000000100010100101100000000010000000000000000000000000	31-01-082937
CN(Cc1n[nH]c2CCCCCc12)c1nccc(n1)N1CCCC(O)C1	MCULE-2037758888,EMOLS-id_316262155,PC-id_134712924	356.465	JZMSAZOPQVINOV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-082938
CN=C(N(Cc1ccccc1OC)C)NCc1nnc2n1CCCCC2	PC-id_111281749	356.465	SAKWUDBCFVHDPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082939
CN=C(NCc1ccccc1OC)NCCc1nnc2n1CCCCC2	PC-id_111215721	356.465	SQIXTDMPOUFGKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082940
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1OC)C	PC-id_109709345	356.465	ZMPAGOUOEWTIMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082941
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccccc1OC	PC-id_111339027	356.465	KCILTVYBUHTPBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082942
CN=C(NCc1nnc2n1CCCCC2)NCCCOc1ccccc1	PC-id_111417585	356.465	FXTCAIHDFQVRLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082943
CN=C(NCc1nnc2n1CCCCC2)NCCOc1ccc(cc1)C	PC-id_111276971	356.465	SOYHZRGWSVAMDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082944
CN=C(NCCc1nnc2n1CCCCC2)NCCOc1ccccc1	PC-id_111006497	356.465	IOCDQNMGXXCSSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082945
CN=C(N(CCOc1ccccc1)C)NCc1nnc2n1CCCCC2	PC-id_111273641	356.465	WUVIORITIQEZSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082946
COc1ccc(cc1)CCNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111170695	356.465	HGUMFRVAMRWDSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082947
COc1ccc(cc1)CN(C(=NC)NCc1nnc2n1CCCCC2)C	PC-id_111271953	356.465	DHUINZPQGWYXMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082948
COc1ccc(cc1)CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111183660	356.465	TYBBFSDGNCMVIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082949
COc1cccc(c1)CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111249283	356.465	VUDPLIAAGVHKDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082950
n1c(C2CCCNC2)ccn1CC(=O)NCc1c2CCCCCc2[nH]n1	MCULE-5480855514,PC-id_119066238,EMOLS-id_82720373	356.465	XCJBZAWQLNXRIZ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-082951
N#CC1(C(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)CCCC1	EMOLS-id_313783962,ZINC22_1565544866	356.465	UDTNWAZRHCFLFC-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-082952
NC(=NCCc1nnc2n1CCCCC2)Nc1ccc(cc1)OC(C)C	PC-id_111039203	356.465	ICXVJJKKYGDVQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082953
OC1CN(CCC1)Cc1nn2c(CN(CCC2)Cc2c(nccc2)N)c1	PC-id_56906088	356.465	PMMHZGHGZKRCTF-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-082954
O=C(c1cc(n(n1)C1CCCCC1)C)NCc1nnc2n1CCCCC2	EMOLS-id_98839436	356.465	KMSHNHNQYQBZGS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-082955
O=C(c1cc(n(n1)C(C1CC1)C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_98874810	356.465	KSSJRQSACVFLIY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-082956
O=C(c1ccnn1CC1CCC1)NCCCc1nnc2n1CCCCC2	EMOLS-id_318093498	356.465	FKJFZWUBIRPFMC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-082957
O=C(CCc1ccc[nH]1)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_313731543,ZINC22_1565545020	356.465	BVKATPPDPFEYKM-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-082958
O=C(Cn1ccc([C@H]2CCCNC2)n1)NCc1n[nH]c2c1CCCCC2	ZINC22_426506882	356.465	XCJBZAWQLNXRIZ-AWEZNQCLSA-N	00000000100010000101100000000010000000000000000000000000	31-01-082959
O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCc1n[nH]c2c1CCCCC2	ZINC22_426506883	356.465	XCJBZAWQLNXRIZ-CQSZACIVSA-N	00000000100010000101100000000010000000000000000000000000	31-01-082960
O=C(N1C(CCC1)c1n(ccc1)C)NCCc1n2CCCCCc2nn1	PC-id_75893021	356.465	ANOUYDRAIBRUQD-UHFFFAOYSA-N	00000010110000000101100000000010000000000000000000000000	31-01-082961
O=C(N1[C@@H](CCC1)c1n(ccc1)C)NCCc1n2CCCCCc2nn1	PC-id_52651121	356.465	ANOUYDRAIBRUQD-INIZCTEOSA-N	00000010110000000101100000000010000000000000000000000000	31-01-082962
O=C(N1[C@H](CCC1)c1n(ccc1)C)NCCc1n2CCCCCc2nn1	PC-id_52651122	356.465	ANOUYDRAIBRUQD-MRXNPFEDSA-N	00000010110000000101100000000010000000000000000000000000	31-01-082963
O=C(NC(c1n2CCN(CCc2nn1)Cc1cccnc1)CC(C)C)C	PC-id_45244387	356.465	CXJVDMDBYKZJGZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-082964
O=C(N(Cc1[nH]nc(C2CC2)c1)C)c1nn2c(CN(CCC2)C(C)C)c1	PC-id_50968235	356.465	GMCSKZDXXCTKOU-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-082965
O=C(NCCc1nnc2n1CCCCC2)N1CCC(n2cccc2)CC1	PC-id_47086487,ZINC22_57610753,MCULE-7234475641,EMOLS-id_32134837	356.465	CNVOMFNXVWQNEF-UHFFFAOYSA-N	00000000110010000101100000000010000000000000000000000000	31-01-082966
O=C(NC(CC(C)C)c1n2CCNCCc2nn1)Nc1ccc(cc1)C	PC-id_56719136	356.465	ZTCHPWIUAXWWJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-082967
S(=O)(=O)(N1CCCn2nc(cc2C1)CNc1sc(nn1)CC)C	PC-id_70738572	356.467	ZULUJJTXEWACLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-082968
c1(N(C)C)nc([C@@H]2C[C@@H](C2)N)cc(NCc2nnc3CCCCCn23)n1	ZINC22_244882624,EMOLS-id_55662639,MCULE-3203693001	356.469	XVGYOUPKOQYNNA-BETUJISGSA-N	00001000100000100101100000000010000000000000000000000000	31-01-082969
CN(C)c1nc(cc(n1)NCc1nnc2n1CCCCC2)C1CC(C1)N	PC-id_91780963	356.469	XVGYOUPKOQYNNA-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-082970
CN=C(N1CCC(C1)c1cnn(c1)C)NCc1nnc2n1CCCCC2	PC-id_111740964	356.469	LYMYPEGCWXQZTO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-082971
BrC1=Cc2nc([nH]c2C(CC=C1)C)C(Cl)(Cl)Cl	PC-id_121286133,SCHEMBL17690497	356.474	OKJINVSNVUMIRF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-082972
s1c2c(CCCCCC2)cc1C(=O)NC1CCN(CC1)CC(F)F	PC-id_49073909	356.474	VDQXHHQJDATNFZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-082973
CCOC(=O)c1cc(c2-c1c(ccc(c2)C(C)C)C)C[N+](=O)C(C)(C)C	PC-id_91480623	356.478	QDQMXDDMGCMCIV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-082974
O[N+](=Cc1c2-c(c(c1)C(=O)OCC)c(ccc(C(C)C)c2)C)C(C)(C)C	PC-id_54377327	356.478	SSBHNMRFGCELDM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-082975
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(cc(c(c1)C)C)C	PC-id_7351946	356.478	KIRYRBXUOOIEEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082976
s1c2CCCCCc2cc1C(=O)OC(C(=O)c1ccc(CC)cc1)C	PC-id_78474824	356.478	OHGJTIWGYGJNSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082977
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)c1ccc(CC)cc1)C	PC-id_7352023	356.478	OHGJTIWGYGJNSQ-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082978
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)c1ccc(CC)cc1)C	PC-id_7352024	356.478	OHGJTIWGYGJNSQ-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082979
Fc1ccc(C2CCN(CC2)CCCc2n3CCCCCc3nn2)cc1	PC-id_59939403,SCHEMBL7957315	356.48	YKWCTXSZXRVCLR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082980
Fc1ccc(cc1)N1CCN(CC1)CCCc1cnc2n1CCCCC2	SCHEMBL7949256,PC-id_59939437	356.48	LBOHNKRQRXPMTF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082981
Fc1ccc(cc1)N1CCN(CC1)CCCc1[nH]nc2c1CCCCC2	PC-id_17773157,SCHEMBL7960754	356.48	UHSBFYQQJOFKKI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082982
c1(c2CCCCCc2sc1NC(=O)CC)C(=O)Nc1cccc(C)c1	EMOLS-id_1280378,PC-id_1107219,ChEMBL-DNDi_CHEMBL8010-2451,CoCoCo_138065,MCULE-9945755846,BAS-00832087,ZINC22_837674	356.482	YCXNYPWPHSJIAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082984
c1(c2CCCCCc2sc1NC(=O)C)C(=O)Nc1c(C)cccc1C	ZINC22_1102696,PC-id_632036,CoCoCo_881409,EMOLS-id_2190738,MCULE-9851339603	356.482	OOSSMXMSGKDMJD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082985
c1(cc2c(CCCCC2)s1)C(=O)N1CCC(CC1)(O)c1cccnc1	MCULE-6743370273,PC-id_91779903,EMOLS-id_55659576,ZINC22_220592000	356.482	NOBRGFVTUVTOOG-UHFFFAOYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-082986
c1(C(=O)N(C)C)c2CCCCCc2sc1NC(=O)c1ccccc1C	BAS-01533234,EMOLS-id_1341484,MCULE-8918176039,ChEMBL-DNDi_CHEMBL3487-1251,ZINC22_722350,PC-id_1047311,TIMTEC36350,CoCoCo_203791	356.482	ZGBWDIMVAVINAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082987
c1(C(=O)N(C)C)c2CCCCCc2sc1NC(=O)c1ccc(cc1)C	MCULE-3143992029,PC-id_1037573,CoCoCo_706978,EMOLS-id_2110063,ZINC22_708188	356.482	KBYSJOCALWNPJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082988
c1(C(=O)N(C)C)c2CCCCCc2sc1NC(=O)c1cccc(C)c1	EMOLS-id_2385553,ZINC22_708354,ChEMBL-DNDi_CHEMBL8009-7476,MCULE-2293699847,PC-id_1037712,CoCoCo_1949781	356.482	ZNWKEDCZFYAFBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082989
c1(NC(=O)c2ccc(cc2)C(C)C)sc2c(CCCCC2)c1C(=O)N	ZINC22_1113913,CoCoCo_902467,PC-id_1291907,MCULE-6205942547,TIMTEC168815,EMOLS-id_1776458	356.482	GIBVONNTUXRYGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082990
c1(NC(=O)Cc2ccc(cc2C)C)sc2c(CCCCC2)c1C(=O)N	CoCoCo_5174472,ZINC22_5268046,EMOLS-id_5605177,MCULE-4066808614,PC-id_7596933	356.482	WIYJDTKHEOUFFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082991
c1(NC(=O)CCc2ccccc2)sc2c(CCCCC2)c1C(=O)NC	PC-id_7475110,ZINC22_5055832,MCULE-8626286887,EMOLS-id_5523567,CoCoCo_5058693	356.482	NZSJMDYTCGFQDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082992
c1(NC(=O)CCc2ccccc2)sc2c(CCCCCC2)c1C(=O)N	SCHEMBL12632694,NSC732801,ZINC22_2790403,PC-id_3578419,CK1663660,CoCoCo_6623123,MCULE-1465054012,EMOLS-id_2082830	356.482	YZBJHQMLIBPECX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082993
c1(NC(=O)CCCc2ccccc2)sc2c(CCCCC2)c1C(=O)N	MCULE-1435227667,ZINC22_2108079,PC-id_1763199,CoCoCo_896911,EMOLS-id_2196155	356.482	LXWSPXWJDZDNDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082994
c1(NC(=O)C(CC)c2ccccc2)sc2c(CCCCC2)c1C(=O)N	MCULE-8135944857,PC-id_3762868,TIMTEC595084,EMOLS-id_2203344	356.482	ZJMRNVMJDIUUQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082995
c1(sc2c(CCCCC2)n1)NC(=O)C1(CCOCC1)c1ccccc1	ZINC22_71287299,EMOLS-id_36514981,MCULE-1654386877,STOCK7S-23103,PC-id_56762784	356.482	RIQGARAQSWGTDQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-082996
Cc1ccccc1N(C(=O)c1csc2c1CCCCC2)NCC(=O)C	SCHEMBL20541668,PC-id_135362937	356.482	AXMYAQRIDQUNFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082997
Cc1ccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCC3)cc1	CoCoCo_3299150,CHEMBL1524447,EMOLS-id_24007390,BindingDB-id_133694,BindingDB_PC-id_18104437,PC-id_18104437,MCULE-1327858405,ZINC22_16594603,ChEMBL-DNDi_CHEMBL1524447	356.482	XUWVBXZFSULQMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082998
CC[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCCCC2)c1ccccc1	PC-id_40436546,CoCoCo_909288,ZINC22_2755641	356.482	ZJMRNVMJDIUUQO-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-082999
CC[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCCCC2)c1ccccc1	ZINC22_2755640,PC-id_40436545,CoCoCo_909289	356.482	ZJMRNVMJDIUUQO-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083000
CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CCCCC2	ZINC22_4568493,SCHEMBL20541666,MCULE-2310841480,PC-id_4257218	356.482	YCHDLRDUVKNJJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083001
NCCN1CCc2c(C(C1)Oc1ccc(c(c1)Cl)Cl)ccs2	PC-id_140164965	357.298	ZFXCQMCZIAKRCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083230
O=C(c1cc2c(s1)CCCCC2)N1CCN(c2ccc(O)cc2)CC1	CoCoCo_3264885,MCULE-6474155916,PC-id_8779616,EMOLS-id_11833919,ZINC22_7669513	356.482	VATSUKUVXFGRIM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083002
O=C(c1cc2c(s1)CCCCC2)N1CCN(CC1)c1ccccc1O	MCULE-6542697682,EMOLS-id_45717009	356.482	MXRUBFLEUPNFKR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083003
O=C(Nc1ccccc1N1CCOCC1)c1cc2c(s1)CCCCC2	CoCoCo_3344646,ZINC22_3352738,EMOLS-id_3140094,MCULE-6016042463,CHEMBL1504150,ChEMBL-DNDi_CHEMBL1504150,PC-id_2469851	356.482	VITBQDILNISYGN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083004
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2c(s1)CCCCC2	ZINC22_3343661,CHEMBL1385807,CoCoCo_3345234,MCULE-2338873391,PC-id_2460114,ChEMBL-DNDi_CHEMBL1385807,EMOLS-id_3333175	356.482	ANWCNDRNAYPPTO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083005
O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1cc2c(s1)CCCCC2	MCULE-7373694087,MCULE-4149491807,ZINC22_328665643,EMOLS-id_97792328	356.482	ZJLITFASCRWFDQ-QFBILLFUSA-N	00000000100010101100100000000010000000000000000000000000	31-01-083006
s1c2CCCCCc2cc1C(=O)Nc1c(ccc(NC(=O)CC)c1)C	PC-id_55711799	356.482	WSJZSGIHWGVXJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083007
s1c2CCCCCc2cc1C(=O)Nc1c(C(=O)NCCC)cccc1	PC-id_24396276	356.482	OZRLAKOOHRVTQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083008
s1c2CCCCCc2cc1C(=O)NCc1cc(ccc1)C(=O)NCC	PC-id_52253657	356.482	GAAORIKSMHJHFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083009
s1c2CCCCCc2cc1C(=O)N(Cc1ccc(cc1)C(=O)NC)C	PC-id_8965238	356.482	GDNMBUJCXUNKFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083010
s1c2CCCCCc2cc1C(=O)NCCC(=O)NCc1ccccc1	PC-id_56242832	356.482	PGAGIWBFNRIBCI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083011
s1c2CCCCCc2cc1C(=O)NCC(=O)Nc1c(cccc1C)C	PC-id_7601414	356.482	PFZIWCUPXUTUEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083012
s1c2CCCCCc2cc1C(=O)NCC(=O)Nc1c(CC)cccc1	PC-id_9153884	356.482	COLDJSGEFJMUNI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083013
s1c2CCCCCc2cc1C(=O)NNC(=O)CC(c1ccccc1)C	PC-id_43004214	356.482	HOEYOAGGXIFFBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083014
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1cc(ccc1)C	PC-id_55455205	356.482	WVHHULPKRSJPMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083015
s1c2CCCCCc2cc1C(=O)NNC(=O)C(CC)c1ccccc1	PC-id_46529136	356.482	SXYRVNFDSKFLDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083016
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCc1ccccc1	PC-id_52604116	356.482	RVLSYZIJBBPWGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083017
s1c2c(CCCCC2)c(c1NC(=O)c1cc(c(cc1)C)C)C(=O)NC	PC-id_7475076	356.482	ITNZLPHMKPOKGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083018
s1c2c(CCCCC2)c(c1NC(=O)c1c(ccc(c1)C)C)C(=O)NC	PC-id_7475124	356.482	SIJVCWCTGWSWKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083019
s1c2c(CCCCC2)c(c1NC(=O)c1c(cc(cc1)C)C)C(=O)NC	PC-id_7475125	356.482	ZZVZXKAWFSUFEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083020
s1c2c(CCCCC2)c(c1NC(=O)CC(c1ccccc1)C)C(=O)N	PC-id_55334193	356.482	YFWFXQSHJCGXFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083021
s1c2c(CCCCC2)c(c1NC(=O)CCc1ccc(cc1)C)C(=O)N	PC-id_55455460	356.482	WNTBCPDNUCDBHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083022
s1c2CCCCCCc2cc1C(=O)Nc1cc(ccc1)C(=O)N(C)C	PC-id_32626824	356.482	DHJJZSARQYRGKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083023
s1c2CCCCCCc2cc1C(=O)Nc1cc(ccc1)C(=O)NCC	PC-id_45747157	356.482	QQTCTPOPGSCUBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083024
s1c2CCCCCCc2cc1C(=O)Nc1c(cc(cc1)C(=O)NC)C	PC-id_55706133	356.482	KKEPKNKFNJIDPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083025
s1c2CCCCCCc2cc1C(=O)Nc1cc(c(NC(=O)C)cc1)C	PC-id_46550390	356.482	PHVGBFCQESFIDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083026
s1c2CCCCCCc2cc1C(=O)Nc1c(CC(=O)NC)cccc1	PC-id_55663092	356.482	RGUGSJZTIFYHPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083027
s1c2CCCCCCc2cc1C(=O)Nc1c(NC(=O)C)ccc(c1)C	PC-id_56466171	356.482	IDHXQAYVEUXVFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083028
s1c2CCCCCCc2cc1C(=O)NCc1cc(ccc1)C(=O)NC	PC-id_33203791	356.482	AVJQDALDOCAOTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083029
s1c2CCCCCCc2cc1C(=O)N(Cc1cc(ccc1)C(=O)N)C	PC-id_52713296	356.482	MCXHMOAMCUZMGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083030
s1c2CCCCCCc2cc1C(=O)NC(Cc1ccccc1)C(=O)N	PC-id_48732250	356.482	SPHUSYQROSHJFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083031
s1c2CCCCCCc2cc1C(=O)NCCNC(=O)c1ccccc1	PC-id_24660841	356.482	WUUXAEFDPCSPPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083032
s1c2CCCCCCc2cc1C(=O)N(CC(=O)Nc1ccccc1)C	PC-id_46823005	356.482	AYLSVDBSCWJWTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083033
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1ccccc1	PC-id_9441636	356.482	OPLZHGNIVHZYPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083034
s1c2c(CCCCCC2)c(c1NC(=O)c1cc(c(cc1)C)C)C(=O)N	PC-id_3351496	356.482	HVLQBSOITUFTDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083035
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1sccc1	PC-id_8500313	356.483	XEPAVBNMSVRYLC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-083036
c12CN(CCCn1nc(CNC(=O)CCS(=O)(=O)C)c2)CC(C)C	EMOLS-id_44425149,PC-id_70709632,MCULE-1307491469,ZINC22_82087779	356.484	DVTAMHPTSLVZQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083037
c12CN(CCCn1nc(CNC(=O)CS(=O)(=O)CC)c2)CC(C)C	PC-id_70704914,MCULE-1642815152,EMOLS-id_44423511,ZINC22_82083523	356.484	AHKFXVDAIKTGQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083038
c1(C(O)C2CC2)cc2n(CCCN(CCCS(=O)(=O)N(C)C)C2)n1	EMOLS-id_55680239,MCULE-2480037734,PC-id_91787081	356.484	MIYSYSJOGDVQLF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083039
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)CC1CCOCC1	EMOLS-id_99722941	356.484	AMCRIRZDSBVRLC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083040
CCN(CC)CCNC(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	MCULE-2368053096,EMOLS-id_317417564	356.484	WRNNQCGTYJCTCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083041
CCS(=O)(=O)NC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1	ZINC22_306127883	356.484	GJVIKGOUDCZKTA-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083042
CCS(=O)(=O)NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1	ZINC22_306127884	356.484	GJVIKGOUDCZKTA-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083043
CN(C)S(=O)(=O)CCCN1CCCn2nc([C@@H](O)C3CC3)cc2C1	PC-id_100149826,ZINC22_222824595	356.484	MIYSYSJOGDVQLF-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083044
CN(C)S(=O)(=O)CCCN1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_230498357	356.484	MIYSYSJOGDVQLF-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083045
c12CN(CCCn1nc(CN(C)Cc1cccs1)c2)Cc1ccoc1	MCULE-8204974385,PC-id_56904986,EMOLS-id_43144712,ZINC22_72151478	356.485	MGMDHJVNPOQAQW-UHFFFAOYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-083046
c1(cc2c(CCCCCC2)s1)C(=O)N1CCN(CC1)c1ncccn1	EMOLS-id_15210011,PC-id_17249510,TIMTEC139254,ZINC22_12796450,MCULE-7446297495,CoCoCo_1070077	356.485	FAZVGQLAQUABHX-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-083047
Cc1cccc(CN2CCc3nc(C(=O)N4CCCC4)sc3CC2)n1	PC-id_97462045,ZINC22_96187587,EMOLS-id_44325475	356.485	PGTJMIBBTRXPGX-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-083048
CC(C(=O)N1C(C)Cc2c1cccc2)Sc1nnc2n1CCCCC2	MCULE-2953501940,PC-id_17400531,EMOLS-id_11903200	356.485	HWJCMQVWKZICHA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083049
CC(C(=O)Nc1ccc2c(c1)CCC2)Sc1nnc2n1CCCCC2	MCULE-8564638879,EMOLS-id_11761532,PC-id_16326362	356.485	YVSSEPWIIUTKDP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083050
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc2n1CCCCC2	ZINC22_6097696,PC-id_7877060,CoCoCo_3081806	356.485	HWJCMQVWKZICHA-UONOGXRCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083051
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N1c2ccccc2C[C@H]1C	PC-id_7877061,ZINC22_6097697,CoCoCo_3081807	356.485	HWJCMQVWKZICHA-KGLIPLIRSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083052
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N1c2ccccc2C[C@H]1C	ZINC22_6097694,CoCoCo_3081809,PC-id_7877059	356.485	HWJCMQVWKZICHA-ZIAGYGMSSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083053
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N1c2ccccc2C[C@@H]1C	ZINC22_6097699,CoCoCo_3081808,PC-id_7877063	356.485	HWJCMQVWKZICHA-KBPBESRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083054
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc2c(c1)CCC2	ZINC22_8311937,CoCoCo_4173159,PC-id_9437320	356.485	YVSSEPWIIUTKDP-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083055
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc2c(c1)CCC2	ZINC22_8311938,CoCoCo_4173160,PC-id_9437321	356.485	YVSSEPWIIUTKDP-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083056
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N[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_101761342	356.485	SXVHLDYVJSGQRE-LSDHHAIUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083058
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O=C(c1cc2c(s1)CCCCCC2)N1CCN(c2cnccn2)CC1	EMOLS-id_44044986,MCULE-6803106944,CoCoCo_4583388,PC-id_42022194,ZINC22_11542818	356.485	KVWRRHAPNLUPOL-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-083061
O=C(c1ccc(cc1)CSc1nnc2n1CCCCC2)N1CCCC1	MCULE-6566433139,PC-id_45838187,CoCoCo_3081593,EMOLS-id_29945639	356.485	SFEOFGLJZPNROX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-083062
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1SC1CCCC1	EMOLS-id_316474507	356.485	SJNDMZYYMQPNBQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-083063
O=C(C(c1ccccc1)Sc1nnc2n1CCCCC2)N1CCCC1	EMOLS-id_3673596,PC-id_16309646,MCULE-4753769154	356.485	XMTVEOUCDWLYGK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-083064
O=C([C@H](Sc1nnc2n1CCCCC2)c1ccccc1)N1CCCC1	CoCoCo_4013242,ZINC22_7081548,PC-id_8211639	356.485	XMTVEOUCDWLYGK-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-083065
O=C([C@@H](Sc1nnc2n1CCCCC2)c1ccccc1)N1CCCC1	PC-id_8211637,ZINC22_7081546,CoCoCo_4013243	356.485	XMTVEOUCDWLYGK-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-083066
O=C(N1CC(C1c1cccnc1)(C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_100599679	356.485	NIWLZGAQSMSHJN-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-083067
O=C(N1CC(C1c1ccncc1)(C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_100772306	356.485	VLUUGJGXJUAIAS-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-083068
O=C(N1CCCC1c1cccnc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103749	356.485	KVBNXZMZYDCLNX-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-083069
O=C(N1CCCC1c1ccncc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101074411	356.485	VIZHLLHTQPJJFQ-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-083070
O=C(N1CCN(CC1)c1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_112825095	356.485	IGEHVHRMDDNROC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083071
O=C(N(C1CC1)Cc1cccnc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103911	356.485	UNUAKIQGNDUTPE-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-083072
O=C(N(C1CC1)Cc1ccncc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101100932	356.485	QTFFWVJUPUTBSK-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-083073
O=C(Nc1nc2c(s1)CCCCC2)N1CCC(c2ccncc2)CC1	MCULE-6563800771,ZINC22_190454816,EMOLS-id_100725110	356.485	FZRKEKWPEZNKGX-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-083074
O=C(Nc1nc2c(s1)CCCCCC2)N(Cc1ccccn1)C1CC1	ZINC22_194513430,MCULE-1095459900,EMOLS-id_189692555	356.485	MLGMEGOYSYEASP-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-083075
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)C(C)C	PC-id_74799117	356.485	JVIVJVDZBOODNL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-083076
O=C(NC(c1n2CC[NH+](CCc2nn1)CC(C)C)C)c1c(cccc1)C	PC-id_74843470	356.485	AHQJWAJOTBTSOE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-083077
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)C(C)C	PC-id_42360587	356.485	JVIVJVDZBOODNL-INIZCTEOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-083078
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s1c2CCCCCc2nc1NC(=O)c1c(N2CCCCC2)nccc1	PC-id_55758234	356.485	XRVYDZDCEQZMCP-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-083082
s1c2CCCCCCc2nc1NC(=O)c1c(N2CCCC2)nccc1	PC-id_56060806	356.485	MPEVCYCYQULNDM-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-083083
CC(NS(=O)(=O)N1CCN(CC1)Cc1nnc2n1CCCCC2)C	EMOLS-id_110900369	356.487	IUQZNVAZTNAWBG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083085
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O=C(CC1=CCCCC1)N1CC(CCOCC2CC2)Cn2cccc2C1	EMOLS-id_313747636	356.502	DTWFTLISXYNQHA-UHFFFAOYSA-N	00100000100011000101000000000010000000000000000000000000	31-01-083088
OCCn1cc(c2=CC=CCC=c12)CNC(=O)CCCC1CCCCC1	PC-id_144074943	356.502	DJGHTIZJPVRNCL-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-083089
S1C[C@H](OCOCCOC)[C@@H](O)CSc2sc(=O)sc12	PC-id_10784503	356.502	AWKAVXNXFRZDEN-YUMQZZPRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083090
S1CC(OCOCCOC)C(O)CSc2sc(=O)sc12	PC-id_85266789	356.502	AWKAVXNXFRZDEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083091
c12N(CCCCc1cc(C(=O)NC1CCS(=O)(=O)C1)s2)CCC	MCULE-5910548725,EMOLS-id_97031400	356.503	MTUOFSYGNHPXCT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-083092
CCS(=O)(=O)N1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_110577425	356.503	CEOHLMVQTJVTAM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083093
CNS(=O)(=O)CC1CCCN1C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_111677860	356.503	HMBRDNIGVSCNRQ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-083094
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc2CCCCCCc2s1	CoCoCo_1075236,TIMTEC268699,EMOLS-id_14095264,MCULE-8730570905,PC-id_17249121,ZINC22_16605675	356.503	KPHBSSJVTATSEM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083095
CS(=O)(=O)NC1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	CoCoCo_4465214,ZINC22_10661986,EMOLS-id_13503690,PC-id_17447775,MCULE-4838258638	356.503	HPXTVYREFFSKNC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-083096
O=C(c1cc2c(s1)CCCCC2)NC1CCCN(C1)S(=O)(=O)C	EMOLS-id_110600816	356.503	YGCGZJBHDMXLLL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-083097
O=C(c1cc2c(s1)CCCCC2)NC[C@H]1CCCN1S(=O)(=O)C	EMOLS-id_97853799	356.503	CLPHSLCTONOJKI-CYBMUJFWSA-N	00000010100000000100000000000010000000000000000000000000	31-01-083098
O=C(C1(CCCC1)S(=O)(=O)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110762261	356.503	SPVWBALQQYQCCG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083099
O=C(c1sc2c(c1)CCCCCC2)NCCN1CCCS1(=O)=O	EMOLS-id_99009805	356.503	AZUMPEJJJDXQOX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083100
O=C(C(S(=O)(=O)C1CC1)(C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98102685	356.503	BEHPPIXCKIOZJB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083101
O=C(CS(=O)(=O)C1CCCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98550719	356.503	HXEJTZOQGHFTHU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083102
O=C(N1CCCC1CS(=O)(=O)N)c1sc2c(c1)CCCCCC2	EMOLS-id_110964463	356.503	WPUZCIJIPFIINS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-083103
O=C(Nc1nc2c(s1)CCCCC2)CCS(=O)(=O)C1CCCC1	EMOLS-id_98316639	356.503	VKANOXCWGCJAFH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083104
s1c2c(CCCCC2)c(c1NC(=S)NCCCOC)C(=O)OC	PC-id_19652129	356.503	QAGLFYMELATHQB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-083105
s1c2c(CCCCC2)c(c1NC(=S)NCCOC)C(=O)OCC	PC-id_19652114	356.503	HXQHPWCRTNPZLM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-083106
s1c2c(CCCCCC2)c(c1NC(=S)NCCOC)C(=O)OC	PC-id_19652110	356.503	KIAGLSMLICACIU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-083107
c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)CC1CCC=CC1	MCULE-5318936892,PC-id_72864924,EMOLS-id_46044751	356.505	BDCAFVZHKKSFAR-UHFFFAOYSA-N	00000010100011000101000000000010000000000000000000000000	31-01-083108
c1(NC(=O)c2cc3c(CCCC3)s2)sc2c(CCCCC2)c1C#N	EMOLS-id_8872556,PC-id_19616237,MCULE-2495207838,TIMTEC605603,ZINC22_20606445	356.505	ZVKPFUGSWWXOCM-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-083109
c1(NC(=O)c2ccccc2SCC)sc2c(CCCCC2)c1C#N	CoCoCo_5157679,EMOLS-id_5587615,ZINC22_5240735,PC-id_7578447,MCULE-3336837664	356.505	DJYVSPCAWXFHQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083110
c1(NC(=O)Cc2ccc(cc2)SC)sc2c(CCCCC2)c1C#N	CoCoCo_5191329,ChEMBL-DNDi_CHEMBLF2828-0094,PC-id_18586797,ZINC22_10252305,EMOLS-id_5626882,MCULE-9414190538	356.505	ZPZJJEZWRJWLRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083111
c1(NC(=O)CSc2ccc(cc2)C)sc2c(CCCCC2)c1C#N	ZINC22_5190744,CoCoCo_5138583,PC-id_7544992,EMOLS-id_5565842,MCULE-9294297933	356.505	VWDQBOKOZICFHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083112
CC1(C)[C@H]2CC=C(CCNC(=O)CCc3cc4n(n3)CCCNC4)[C@@H]1C2	PC-id_70760869,EMOLS-id_43147938,MCULE-3852526482,ZINC22_72457796	356.505	OJHNRZYDAAMAIB-LPHOPBHVSA-N	00001000100011000101001000000010000000000000000000000000	31-01-083113
CC(C)n1cc(CN2Cc3cccn3C[C@@H](CCOCC3CC3)C2)cn1	ZINC22_585095317	356.505	PMGHUFCRORUSAD-IBGZPJMESA-N	00100000100000000101000000000010000000000000000000000000	31-01-083114
CC(C)n1cc(CN2Cc3cccn3C[C@H](CCOCC3CC3)C2)cn1	ZINC22_585095318	356.505	PMGHUFCRORUSAD-LJQANCHMSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083115
CC(C)n1cc(CN2CC(CCOCC3CC3)Cn3cccc3C2)cn1	EMOLS-id_313838116	356.505	PMGHUFCRORUSAD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083116
CN(C1CCn2c(CC1)nn(c2=O)Cc1ccccc1)CCC(C)(C)C	MCULE-3651855566,EMOLS-id_96071972	356.505	YZTTXEYOYUTGFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083117
CN(Cc1nc2ccccc2s1)C(=O)c1cc2c(s1)CCCCC2	MCULE-5403397973,PC-id_9391937,ZINC22_8264332,EMOLS-id_3699103,CoCoCo_4002705	356.505	TWXNDNOASPQNPA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083118
O=C(CCc1cc2n(n1)CCCN(C[C@H]1CC=CCC1)C2)N1CCCC1	ZINC22_91486993,PC-id_97120920	356.505	BDCAFVZHKKSFAR-SFHVURJKSA-N	00000010100011000101000000000010000000000000000000000000	31-01-083119
O=C(CCc1cc2n(n1)CCCN(C[C@@H]1CC=CCC1)C2)N1CCCC1	ZINC22_91486994,PC-id_97120921	356.505	BDCAFVZHKKSFAR-GOSISDBHSA-N	00000010100011000101000000000010000000000000000000000000	31-01-083120
O=C(NCCC1=CCC2C(C1C2)(C)C)CCc1nn2c(CNCCC2)c1	PC-id_78083723	356.505	OJHNRZYDAAMAIB-UHFFFAOYSA-N	00001000100011000101001000000010000000000000000000000000	31-01-083121
O=C(NCCc1nc2ccccc2s1)c1cc2c(s1)CCCCC2	PC-id_53511898,ZINC22_65530114,MCULE-7921913286,EMOLS-id_35682795	356.505	YTQBRZZOSFUFSE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083122
O=C(N=C(N)N)c1n2c(/C(=C/C)/CCCCCCC2)c(c1C)/C(=C/C)/C	PC-id_22094087	356.505	CBTFGGHJGKHBOU-QFQUGEONSA-N	00000000100000000100000000000010000000000000000000000000	31-01-083123
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s1c2CCCCCc2cc1C(=O)Nc1sc2c(n1)c(cc(c2)C)C	PC-id_7926945	356.505	ZGZPDKRCZLSIDY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083125
s1c2CCCCCc2c(c1NC(=O)c1ccc(SCC)cc1)C#N	PC-id_7579230	356.505	WABXNYZXAPVUHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083126
s1c2CCCCCc2c(c1NC(=O)c1cc(SCC)ccc1)C#N	PC-id_7578829	356.505	DSGSGIDOAJWKOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083127
s1c2CCCCCc2c(c1NC(=O)CCSc1ccccc1)C#N	PC-id_4099170	356.505	WROZMHUMSMMAQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083128
s1c2CCCCCc2c(c1NC(=O)CSc1c(cccc1)C)C#N	PC-id_5011490	356.505	AFMKYSAVQZYKCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083129
s1c2CCCCCc2c(c1NC(=O)CSCc1ccccc1)C#N	PC-id_5025981	356.505	RPWPEISSNJABKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083130
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1cc[nH+]cc1	PC-id_9254704	356.505	YVBCMLBTXFDFSA-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-083131
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1[nH+]cccc1	PC-id_7346275	356.505	MSMLBTLSRZMRER-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-083132
s1c(C(=O)N2CC[NH+](CC2)Cc2ccncc2)cc2CCCCCc12	PC-id_9226223	356.505	ZHQOLTOKROJEBC-UHFFFAOYSA-O	00000000100010101101000000000010000000000000000000000000	31-01-083133
c12CN(CCCn1nc(CNc1c(CC)c(C)nc(C)n1)c2)CC(C)C	EMOLS-id_44423359,MCULE-2698565541,ZINC22_82083255,PC-id_70704514	356.508	AHVSHSSQAPLUPJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083134
c12CN(CCCn1nc(CNc1cc(CCC)nc(C)n1)c2)CC(C)C	PC-id_70761770,ZINC22_82134423,MCULE-7905116786,EMOLS-id_44443423	356.508	MKZLZMHCTNPNIJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083135
c12CN(CCCn1nc(CNc1cc(C)nc(CCC)n1)c2)CC(C)C	MCULE-7336925130,PC-id_70726693,EMOLS-id_44431171,ZINC22_82099742	356.508	JPCAVGFGIONDFP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083136
c12CN(CCCn1nc(CN(C)Cc1cnn(CC)c1)c2)C/C=C(C)/C	MCULE-6227713040,PC-id_56892223,EMOLS-id_43098617,ZINC22_72145546	356.508	LGCSGDBXLGJNRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083137
Cc1ccc(c2nc(CSc3nnc4n3CCCCC4)cs2)cc1	CoCoCo_3081990,ZINC22_6097965,PC-id_7877268,EMOLS-id_11820227,MCULE-2409592860	356.508	UOWUYMCCDOAQMJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-083138
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Cc1cc(CN2Cc3ccnn3CC[C@H]2CN2CCC(C)CC2)n(C)n1	ZINC22_585097401	356.508	KZUHBQAVQGPKGT-SFHVURJKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083140
CC1CCN(CC2CCn3nccc3CN2Cc2cc(C)nn2C)CC1	EMOLS-id_313817127	356.508	KZUHBQAVQGPKGT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083141
Cc1nc2c(cccc2s1)C=CCN1CCc2c(CC1)sc(n2)N	PC-id_88124257,SCHEMBL7291191	356.508	OHZCYLVZFIUIAX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083142
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc2c(c1)nc(s2)C	PC-id_19985856,SCHEMBL7284240	356.508	BTCYTMPMQKABJY-NSCUHMNNSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083143
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc2c(c1)sc(n2)C	SCHEMBL7292817,PC-id_19985787	356.508	HJISLFBEBOLMNW-NSCUHMNNSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083144
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc2c1sc(n2)C	PC-id_19985893,SCHEMBL7283742	356.508	JAZNFZQKSPPUEC-HWKANZROSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083145
s1c2CCN(CCc2nc1N)CC=Cc1c2sc(nc2ccc1)C	PC-id_53945807	356.508	JAZNFZQKSPPUEC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083146
s1c2CCN(CCc2nc1N)CC=Cc1cc2nc(sc2cc1)C	PC-id_57247662	356.508	BTCYTMPMQKABJY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083147
s1c2CCN(CCc2nc1N)CC=Cc1cc2sc(nc2cc1)C	PC-id_53880380	356.508	HJISLFBEBOLMNW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083148
CC(CCc1nc2c(s1)CCN(CC2)CCC1CCCCC1)(F)F	PC-id_145451679	356.517	HCFOVAGQJVPEJP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083149
c1(C#N)c2CCCCCCCCCCc2sc1NCc1ccc(C)o1	STOCK3S-16032,PC-id_1559536,SPECS-id_AE-848/13008301,ZINC22_1762792,EMOLS-id_3738302,CoCoCo_6876919,MCULE-6130843095	356.525	VRPLUERVURYLLD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-083150
c1(C(=O)NCCCN(C)Cc2ccccc2)csc2CCCCCc12	PC-id_20881869,CoCoCo_2171574,CoCoCo_2171575,MCULE-4039402107,EMOLS-id_16062845	356.525	KMNADKVWRZHANS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083151
c1(N=Cc2ccc(cc2)OC)sc2c(CCCCCCCCCC2)n1	PC-id_1883712,MCULE-7744608963	356.525	PCYGQAZUSAKMDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083152
C(C)(c1ccc(CC(C)C)cc1)C(=O)Nc1sc2CCCCCc2n1	SPECS-id_AN-153/J108386,PC-id_24208098,MCULE-3116077437,EMOLS-id_13191540	356.525	HENBDXPPXDPZQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083153
CC(C)Cc1ccc([C@@H](C)C(=O)Nc2nc3c(s2)CCCCC3)cc1	ZINC22_12401532,PC-id_42578296	356.525	HENBDXPPXDPZQC-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083154
CC(C)Cc1ccc([C@H](C)C(=O)Nc2nc3c(s2)CCCCC3)cc1	ZINC22_12401534,PC-id_42578298	356.525	HENBDXPPXDPZQC-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083155
COc1ccc(cc1)/C=N/c1sc2c(n1)CCCCCCCCCC2	EMOLS-id_26320197,STOCK3S-88707,PC-id_9660528,ZINC22_2255917	356.525	PCYGQAZUSAKMDI-CJLVFECKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083156
CN(Cc1ccccc1)CCCC(N1CCCc2c(C1=N)ccs2)N	PC-id_141859822	356.528	HXZVKRIOGVNUCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083157
S=c1n(nc2n1CCCCC2)CN1C(CCCC1)Cc1ccccc1	PC-id_56377571	356.528	GXNHBIDCJXEKFM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-083158
S=c1n(nc2n1CCCCC2)CN1CCC(CC1)Cc1ccccc1	PC-id_8144747	356.528	KUUAREVCHFPJCM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-083159
S=c1n(nc2n1CCCCC2)CN(C1CC1)Cc1ccc(cc1)CC	PC-id_60443893	356.528	NMOLXPZLYLKOTM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-083160
CC(C)(C)[Si](C)(C)O[C@@H]1CN=CNc2c1ncn2Cc1ccccc1	PC-id_134920188	356.537	WXBCKJVZBHOBHC-MRXNPFEDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-083161
CCCn1nc2c(c1CCC1CCCCC1)C(=C)CCCCCN=C2N	SCHEMBL17733549,PC-id_121321812	356.548	SCSMWEWJJDXZIC-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-083162
N#Cc1c(N/C=[N+]/2C[C@]3(C[C@@H]2CC(C3)(C)C)C)sc2c1CCCCC2	PC-id_51711387,GD-id_ZINC36108045	356.548	JULVZMSKTWYPIV-BTYIYWSLSA-O	00000010100010000100000000000110000000000000000000000000	31-01-083163
S1/C(=C/c2c3-c(c(c2)/C=C/2SC=CS2)ccccc3)/SC=C1	PC-id_15890961	356.548	SYTQOXQOAQDNGL-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-083164
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(OC)cccc1	PC-id_25443774	358.455	DIISVKXNQSHFBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084618
s1c(N/C=[N+]/C3CC(CC(C3)(C)C)(C2)C)c(c2c1CCCCC2)C#N	PC-id_75748926	356.548	JULVZMSKTWYPIV-UHFFFAOYSA-O	00000010100010000100000000000110000000000000000000000000	31-01-083165
s1c(N/C=[N+]/[C@H]3C[C@](CC(C3)(C)C)(C2)C)c(c2c1CCCCC2)C#N	PC-id_51663800	356.548	JULVZMSKTWYPIV-QVKFZJNVSA-O	00000010100010000100000000000110000000000000000000000000	31-01-083166
S=c1sc2c(s1)SCCOCCOCCOCCS2	NSC610361,PC-id_355835,CoCoCo_5666724,ZINC22_5600163,LI_204367	356.568	RXQOHVRFZLKDSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083167
c1(NC(=O)CCCC[C@H]2CCSS2)sc2c(CCCCC2)n1	EMOLS-id_323228592,MCULE-1323842976	356.57	BMCBDOSEOPLPRJ-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083168
Brc1cc(Cl)c(OC2CCNCc3oc(cc23)C)cc1	PC-id_68411807	356.642	IWCGPGGVDCVQKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083169
Brc1c(Cl)cc(OC2CCN(Cc3occc23)C)cc1	PC-id_68412055	356.642	JHGHYJMRQFSLGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083170
Brc1c(Cl)c(OC2CCN(Cc3occc23)C)ccc1	PC-id_25027800,SCHEMBL2842783	356.642	WPIQOUHPWVNSFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083171
Brc1c(Cl)c(OC2CCNCc3oc(cc23)C)ccc1	PC-id_68411805	356.642	VAAZHIWUSSVUDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083172
Brc1cc(OC2CCN(Cc3occc23)C)c(Cl)cc1	PC-id_68409933	356.642	NGPPLWKOYOXJNW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083173
c1(NC(=O)C(Cl)(Cl)Cl)sc2c(CCCCC2)c1C(=O)O	MCULE-1453710415,EMOLS-id_179129730,PC-id_28860491	356.653	FJJUUUIKPKDZQU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-083174
CC([Si]1(Oc2ccsc2CO[Si]1(C(C)C)C(C)C)C(C)C)C	PC-id_101071436	356.671	VUOKETDPXAMQOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083175
FC(Oc1cc(ccc1Cl)NC(=O)C1CCn2c(CC1)nnc2)F	MCULE-9135313917,EMOLS-id_319858368	356.755	DXDCGAQYDCTINI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083176
c1(c(C)onc1c1ccccc1Cl)C(=O)N1CCCn2cncc2C1	MCULE-1155133786,EMOLS-id_43095625,PC-id_56891469,ZINC22_72144149	356.806	FGQVWRBMQFWEHI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-083177
Clc1cccc(c1)C(=O)N1CCCn2c(C1)c(nn2)Cn1cccn1	PC-id_97405544	356.809	WOBVKVVINSBQHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083178
Clc1cccc(c1)C(=O)N1CCCn2c(C1)c(nn2)Cn1cncc1	PC-id_97519610	356.809	TVURASOFGCXRDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083179
Clc1ccc(cc1)C(=O)N1CCCn2nnc(Cn3cccn3)c2C1	EMOLS-id_44370628,ZINC22_96259540,PC-id_97519622	356.809	KTAMLIGHHLZONB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083180
O=C(C1CCn2c(CC1)nnc2)Nc1ccn(n1)c1ccccc1Cl	EMOLS-id_319959970,MCULE-7210173184	356.809	GJDBUFASQRJPAZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-083181
Cc1cc(ccc1Cl)S(=O)(=O)N1CCc2nn(C)c(=O)n2CC1	PC-id_91910640,EMOLS-id_49731337,MCULE-7458339314	356.828	ZMWPQASCZMUGAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083182
Cc1cc(Cl)ccc1S(=O)(=O)N1CCc2nn(C)c(=O)n2CC1	MCULE-8189098459,PC-id_91910639,EMOLS-id_50586581	356.828	MTZULKCVTHYPBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083183
O=c1[nH]nc2n1CCC(CC2)N(S(=O)(=O)c1ccccc1Cl)C	EMOLS-id_96055614,MCULE-3867519102	356.828	XFGPFVVLEQBNFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083184
Clc1cc2[nH]c(SCc3nn(c4c3ccccc4=O)C)nc2cc1	PC-id_10043848	356.829	ULKDXBGSIBSWTO-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-083185
c1(C(=O)NCCn2ccc3ccc(Cl)cc23)c2CCCCCc2[nH]n1	EMOLS-id_323248573,MCULE-8480622964	356.849	BKNUXBYZJDMWDN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-083187
Clc1ccccc1c1ccc(o1)CNCc1nnc2n1CCCCC2	MCULE-2147962764,PC-id_121846681,EMOLS-id_50952542	356.849	VHZMRGCFTZADFL-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-083188
Clc1cnn(CCN2CCc3nnc(Cc4ccccc4)n3CC2)c1	ZINC22_244678739,MCULE-6244942005,PC-id_91839538,EMOLS-id_55679775	356.853	IIZYPFUBWWKSRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083189
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCCCC2)c1C#N	MCULE-5389321795,PC-id_4085530	356.869	OWHKMNBABFSJKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083190
c1(NC(=O)C=Cc2cccc(Cl)c2)sc2c(CCCCC2)c1C#N	MCULE-4349652081,PC-id_3653950	356.869	PJGKYGBZNNNBRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083191
c1(NC(=O)C=Cc2ccc(Cl)cc2)sc2c(CCCCC2)c1C#N	PC-id_4155196,MCULE-5517614744	356.869	RAYOMEKOFOZECH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083192
Clc1ccccc1/C=C/C(=O)Nc1sc2CCCCCc2c1C#N	EMOLS-id_45794893,ZINC22_4079563,CoCoCo_4975974,PC-id_6006220	356.869	OWHKMNBABFSJKU-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083193
Clc1cccc(/C=C/C(=O)Nc2sc3CCCCCc3c2C#N)c1	TIMTEC379733,ZINC22_2752762,CoCoCo_5824157,PC-id_5886697,SPECS-id_AK-968/15253043,EMOLS-id_26499007	356.869	PJGKYGBZNNNBRG-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083194
Clc1ccc(/C=C/C(=O)Nc2sc3CCCCCc3c2C#N)cc1	EMOLS-id_26496605,ZINC22_2734073,CoCoCo_5814814,PC-id_6023172,TIMTEC418957	356.869	RAYOMEKOFOZECH-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083195
N#Cc1c(NC(=O)/C=Cc2ccccc2Cl)sc2c1CCCCC2	CoCoCo_4975975	356.869	OWHKMNBABFSJKU-KHPPLWFESA-N	00000000100000110100000000000010000000000000000000000000	31-01-083196
N#Cc1c(NC(=O)/C=Cc2ccc(cc2)Cl)sc2c1CCCCC2	CoCoCo_5814815	356.869	RAYOMEKOFOZECH-FLIBITNWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083197
N#Cc1c(NC(=O)/C=Cc2cccc(c2)Cl)sc2c1CCCCC2	CoCoCo_5824158,PC-id_92966249	356.869	PJGKYGBZNNNBRG-KTKRTIGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083198
Cc1ccc(c(c1)Cl)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112809344	356.891	FIWSQAIHKYQUBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083199
Cc1sc2c(c1)N(CCCC2)S(=O)(=O)c1ccc(c(c1)N)Cl	PC-id_59310147,SCHEMBL10300186	356.891	IVNVYLYDBDYDCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083200
C1CN(CCC2=C1C(=C(S2)CC(F)(F)F)Br)C(=O)O	PC-id_150096238	356.965	DUHGSYJMBAQDOY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-083201
CCOC(=O)C(=O)c1c[nH]c2c1C=CC(C=C2)I	PC-id_144461275	357.144	OKUSZLCNRUIJIM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-083202
O=C(c1cn[nH]c1I)N1CCCc2c(C1)cco2	EMOLS-id_316505028	357.147	VQDNJNRGYCNNPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083203
CC1=NCCN(N1C(=O)C2=C3C=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4	PC-id_150761108	357.148	JXVVOOOOLIBEJK-UHFFFAOYSA-N	00000010100011110111000000000010000000000000000000000000	31-01-083204
C=C(C#N)C(=O)c1cc2=CC(CC(C=c2[nH]1)Br)OC(F)F	SCHEMBL20085003,PC-id_134449327	357.15	WXPOAEMSGDJUMY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-083205
O=C(c1cn[nH]c1I)N1CCCc2c(C1)c[nH]n2	EMOLS-id_278457327	357.15	CMZYLWXXPBVIRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083206
CC(C1=CC2=C(CCO2)C=C1)N3CCC4=C(CC3)SC(=N4)NC(=O)C	PC-id_154685695	357.151	OISMIYGFRFUKTO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083207
CN1C=C2C(=N1)CCN(C(=O)N2CC3=C(C=C(C=C3)OC)OC)N=[N+]=[N-]	PC-id_154021391	357.155	IEDRCKZXVBKHDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083208
CC1=CC(=CC(=C1)C(C)OC(=O)N2CCCN3C(=CC(=N3)C(=O)O)C2)C	PC-id_161680376	357.169	XDLRNFUCUBEZOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083209
CC1=CC(=C(C=C1C)O/C/2=C/CCN3C(=NN=C3/C=C2)C)C4=CC=CC=C4	PC-id_155196537	357.184	LZZDSZAMQJTQLO-VERQEYEOSA-N	00000000100000110111100000000010000000000000000000000000	31-01-083210
c12occ(C)c1cc(cc(Br)c2=O)N=Nc1ccc(cc1)C	MCULE-6182140005	357.201	PONADFKLSPVRPA-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-083211
Cc1ccc(cc1)/N=Nc1cc2c(C)coc2c(=O)c(c1)Br	CoCoCo_6868687	357.201	PONADFKLSPVRPA-VXPUYCOJSA-N	00000000100000110110000000000010000000000000000000000000	31-01-083212
Cc1ccc(/N=N/c2cc(Br)c(=O)c3occ(C)c3c2)cc1	PC-id_7103064,SPECS-id_AA-504/34971051,CoCoCo_6868686,EMOLS-id_45926984,ZINC22_4113893	357.201	PONADFKLSPVRPA-FMQUCBEESA-N	00000000100000110110000000000010000000000000000000000000	31-01-083213
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(Cl)c(c(c1)Cl)F	EMOLS-id_101863454	357.21	SVLDVXSIWYFYFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083214
O=C(NCc1nnc2n1CCCCC2)c1cc(F)c(Cl)cc1Cl	ZINC22_40012926,PC-id_45859668,EMOLS-id_29977281,MCULE-8373995092,CoCoCo_4336677	357.21	SBVGDJAGYVLZGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083215
CC(C)CN1C(=O)N2[C@@H](CCCCC2=N1)C(=O)NCCC3=CC=NC=C3	PC-id_164634937	357.216	LBLZVGGFPONWOQ-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083216
CCC(C)OC(=O)CC1CCCCC2=C(C1(F)F)N=NN2C(C)(C)C	PC-id_155117295	357.223	IIAQMFDMOPLJTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083217
CC1(CC2CC(C1)(CN2/C=N/C3=C(C4=C(S3)CCCCC4)C=N)C)C	PC-id_155070368	357.224	OQRYLCXFSDGNOZ-BTLAMDQOSA-N	00000010100010000100000000000110000000000000000000000000	31-01-083218
Brc1ccccc1S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319029814	357.226	XVVNVVDNORAIEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083219
Brc1cc(Cc2cc3-c(c2)ccccc3)ccc1OCOC	SCHEMBL5430708,PC-id_11595588	357.241	NHSGBKVCVDJGCN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-083220
Brc1cc(N)c(Sc2n3CCCCCc3nn2)cc1F	PC-id_66111755	357.244	NYGWBZDMBWDGFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083221
Nc1cc(F)c(cc1Sc1nnc2n1CCCCC2)Br	PC-id_116736784	357.244	AMXABPHGUMGGOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083222
BrC(c1sc2c(CCCCC2)c1)c1cc(F)c(F)cc1	PC-id_63439982	357.256	ULTQNCHBAIYOTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083223
BrC(c1sc2c(CCCCC2)c1)c1c(F)ccc(F)c1	PC-id_63438496	357.256	WUSLFBZOCGBCIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083224
BrC(c1sc2c(CCCCC2)c1)c1c(F)cc(F)cc1	PC-id_63442270	357.256	GWXDSDQAOIBKSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083225
C=CC(=O)N(C)CC(=O)N1CCCCc2sc(Br)cc12	ZINC22_1875370758	357.266	BZUNVMGYZJVUMP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-083226
Brc1sc(C(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_46696538	357.289	KGCMJXNVJHVWKI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-083227
Brc1sc(NC(=O)c2sc3CCCCCc3c2)nc1	PC-id_54918094	357.289	FJKCEIGSSLZDOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083228
C1CCc2c(CC1)sc(c2C(=O)O)NC(=O)C(C(F)(F)F)(F)F	SCHEMBL20541791,PC-id_135363043	357.296	YKZFPGULOSLDPL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-083229
Cc1cc(c(cc1)O)C=Nc1c(c2c([se]1)CCCCC2)C#N	PC-id_136880222	357.308	NRBLWWCQASUAHM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083231
Brc1ccc(s1)CC(c1cc2c(s1)CCCCC2)O	PC-id_115785774	357.329	DPWMASHMXUOQLF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-083232
Brc1csc(c1)CC(c1cc2c(s1)CCCCC2)O	PC-id_115790286	357.329	OGUNFCUSZBFYNN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-083233
Brc1c(sc(c1)C)C(O)c1sc2c(CCCCC2)c1	PC-id_65278373	357.329	FTOIOGLDYRMIFL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-083234
Brc1sc(c(C(O)c2sc3c(CCCCC3)c2)c1)C	PC-id_65632405	357.329	QYYMOGBUUVZOPM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-083235
Brc1sc(C(O)c2sc3c(CCCCC3)c2)cc1C	PC-id_79991148	357.329	GAEQLQCQSHAEFR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-083236
OC(c1cc2c(s1)CCCCC2)Cc1sccc1Br	PC-id_115790850	357.329	FOXDTOZRRJUUEV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-083237
OC(c1cc(c(s1)C)Br)c1cc2c(s1)CCCCC2	PC-id_102834820	357.329	MJGRPXXOSFRFQI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-083238
NNC(c1cscc1Br)c1cc2c(s1)CCCCC2	PC-id_105322518	357.332	DKASLHOMHGDIBE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-083239
NNC(c1sccc1Br)c1cc2c(s1)CCCCC2	PC-id_105327791	357.332	VOHFZZONILHGND-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-083240
c12C(CCCCn1nnn2)C(=O)NCc1onc(c2ccc(cc2)F)n1	EMOLS-id_68879507,PC-id_118765265,MCULE-1835564201	357.342	ZWLZDKJHCYCWJB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-083241
O=C(NCc1nc(c2ccc(F)cc2)no1)[C@@H]1CCCCn2nnnc12	ZINC22_299771913	357.342	ZWLZDKJHCYCWJB-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-083242
O=C(NCc1nc(c2ccc(F)cc2)no1)[C@H]1CCCCn2nnnc12	ZINC22_299771917	357.342	ZWLZDKJHCYCWJB-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-083243
O=C(c1cc(c[nH]c1=O)C(F)(F)F)Nc1nc2c(s1)CCCCC2	MCULE-4502630002,EMOLS-id_320125759	357.351	IROZBTMPTSWORC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083244
COC(=O)c1[nH]c(c2c1OCCCOC(OCCCO2)C)C(=O)OC	SCHEMBL2724958,PC-id_67514121	357.356	XESHNBQOWNCBDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083245
O=C(CN1CCCc2c(C1)cco2)NC(=O)Nc1ccc2c(c1)OCO2	EMOLS-id_99341896	357.361	MUYPRSUFOWCCPH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083246
O=C(N1CCCn2nc(cc2C1)C(=O)O)CCc1cc2OCOc2cc1	PC-id_50948819	357.361	AZUBORPGIOVJHN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083247
OC(=O)CNC(=O)c1ccc(cc1)NC(=O)c1noc2c1CCCCC2	PC-id_120522626,EMOLS-id_57604757,MCULE-9289912647	357.361	FTSJYRJYJDADDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083248
Cc1c(c(no1)C)Cc1ccc(o1)C(=O)N1CCc2n[nH]c(=O)n2CC1	PC-id_91922366	357.364	CSTIATJUIGXRRM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-083249
c12C(=O)N(C)CCn1nc(C(=O)N1CCn3c(CC1)nc(C(=O)N)c3)c2	EMOLS-id_331134776,ZINC22_1875251431,MCULE-8739154309	357.367	JKCUWDCMPYIQRH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083250
c1(C(O)c2ccnn2C)cc2n(CCCN(C2)C(=O)c2c(C)non2)n1	EMOLS-id_55604016,MCULE-2718922114,PC-id_91760431	357.367	GROUSIHYCCAUPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083251
c1(C(=O)N2CCCn3c(cc(n3)C(CO)O)C2)nnc2nc(C)ccn12	MCULE-7101988220,EMOLS-id_55704926,PC-id_91795452	357.367	WYBGCYULGHTCAB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083252
Cc1c(c(nn1C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)C)[N+](=O)[O-]	PC-id_135588011	357.367	MDXZMFMEOGZRFU-SEYXRHQNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083253
CC(c1nn2CCCN(Cc2c1)C(=O)COc1nn2cnnc2cc1)O	PC-id_91760727,EMOLS-id_55604872,MCULE-9507554719	357.367	JRDLZVDHXHIYLQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083254
COc1cc(C(=O)N2CCCn3cnc(Cn4nncc4C)c3C2)on1	EMOLS-id_313729245,ZINC22_1565549328	357.367	PGSXTWHPKNNXGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083255
O=C(c1nonc1C)N1CCCn2c(C1)cc(n2)[C@H](c1ccnn1C)O	PC-id_100004435	357.367	GROUSIHYCCAUPG-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083256
O=C(c1nonc1C)N1CCCn2c(C1)cc(n2)[C@@H](c1ccnn1C)O	PC-id_100004439	357.367	GROUSIHYCCAUPG-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083257
O=C(C(=C1N2CCCCCC2=NN1)C#N)Cn1nc(c([N+](=O)[O-])c1C)C	PC-id_78668096	357.367	NJNCCDOWUCSNFU-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-083258
O=C(/C(=C
/N2CCCCCC2=NN1)/C#N)Cn1nc(c([N+](=O)[O-])c1C)C	PC-id_8332581	357.367	NJNCCDOWUCSNFU-FOWTUZBSSA-N	00000011100000000111000000000010000000000000000000000000	31-01-083259
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1nnc2n1ccc(n2)C)O	PC-id_99995788	357.367	WYBGCYULGHTCAB-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083260
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1nnc2n1ccc(n2)C)O	PC-id_99995792	357.367	WYBGCYULGHTCAB-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083261
O=C(N1CCCn2c(C1)cc(n2)[C@H](O)C)COc1ccc2n(n1)cnn2	PC-id_100005919	357.367	JRDLZVDHXHIYLQ-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083262
O=C(N1CCCn2c(C1)cc(n2)[C@@H](O)C)COc1ccc2n(n1)cnn2	PC-id_100005921	357.367	JRDLZVDHXHIYLQ-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-083263
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)Cn3cnnn3)C2)n1	EMOLS-id_55669235,MCULE-4379551565,PC-id_91783260	357.37	IQBMQOXYZNKIKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083264
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)Cn3ncnn3)C2)n1	PC-id_91769014,EMOLS-id_55628270,MCULE-8006289765	357.37	PFJVFCKTOROPPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083265
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)Cn1cnnn1)C2	PC-id_100095047,ZINC22_222417165	357.37	IQBMQOXYZNKIKV-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083266
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cn1cnnn1)C2	ZINC22_222417103,PC-id_100095043	357.37	IQBMQOXYZNKIKV-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083267
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cn1ncnn1)C2	ZINC22_219261847,PC-id_100036199	357.37	PFJVFCKTOROPPO-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083268
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)Cn1ncnn1)C2	ZINC22_219261905,PC-id_100036201	357.37	PFJVFCKTOROPPO-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083269
s1c2CCCCCCc2cc1C(=O)NNC(=O)COc1ccccc1	PC-id_24643154	358.455	FFBLJRHIVFWUBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084619
CCOC(=O)C1=CN(CC(c2c1cn[nH]2)(C)C)C(=O)c1ccc(cc1)F	PC-id_121358800,SCHEMBL17777868	357.379	ZMDYFJWIWNHJBK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-083270
CCOC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(cc1)F	PC-id_121358813,SCHEMBL17777881	357.379	ASTFOAVFJIEMJL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-083271
CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1cccc(F)c1	BindingDB-id_731730,SCHEMBL19663856	357.379	PQINQUJSFBXAEY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-083272
COC(=O)C1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(cc1)F	PC-id_121358795,SCHEMBL17777863	357.379	LZQIPHDGZHBXSQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-083273
COC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)F	PC-id_121358785,SCHEMBL17777853	357.379	VYSSMKOUXJDLDT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-083274
COC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)C)F	SCHEMBL19702774	357.379	WPYJJNOQLAEPQV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-083275
Fc1cc(ccc1N1CCCC1=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100132206	357.379	BANQUCLYHWEUPB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083276
Fc1ccc(cc1)N1CCC(C1=O)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_101697221	357.379	ZKQSHKOMTMPEGM-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-083277
O=C1NCCN(C(=O)c2noc3c2CCCCC3)[C@H]1c1ccccc1F	ZINC22_672955233	357.379	SRLWBMCREDSGDG-KRWDZBQOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083278
O=C1NCCN(C(=O)c2noc3c2CCCCC3)[C@@H]1c1ccccc1F	ZINC22_672955234	357.379	SRLWBMCREDSGDG-QGZVFWFLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083279
O=C(c1noc2c1CCCCC2)NC1CCN(C1=O)c1ccccc1F	EMOLS-id_100991272	357.379	UYXJQNPGFJLAJC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083280
O=C(N1CCCc2c(C1)cco2)NC1CCN(C1=O)c1ccccc1F	EMOLS-id_99670934	357.379	KRBLNMJAHYHHGI-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-083281
O=C(N1CCCc2c(C1)cco2)NC1CC(=O)N(C1)c1ccccc1F	EMOLS-id_99809877	357.379	UMYUIWGENZPVQX-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-083282
CCOC(=O)/C=C/c1coc2c1C=C(CC=C2)/C=C/1SC(=O)NC1=O	PC-id_142850014	357.38	WKYZHMLLEZFASP-MOKCJYBKSA-N	00000010100000000111000000000010000000000000000000000000	31-01-083283
c12CN(CCCn1nc(CO)c2)C(=O)CCc1[nH]c2c(cc(cc2)F)n1	MCULE-6630749392,EMOLS-id_55663761,PC-id_91781363	357.382	BTVHUZXXJAUOLY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083284
c1(C(=O)NC2CN(C(=O)C2)c2ccc(cc2)F)nnc2CCCCCn12	EMOLS-id_55616433,MCULE-2069747634,PC-id_91764887	357.382	PJUNYVDHAUWENP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083285
CC1Cc2nnc(COc3ncccc3F)n2CCN1Cc1ccoc1	EMOLS-id_313825060	357.382	PMYQLDXYKUFDNF-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-083286
Cc1cc(CN2Cc3cncn3C[C@H](COc3ncccc3F)C2)no1	PC-id_97477484,ZINC22_96209357	357.382	JHZUILGPCIAVIE-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083287
Cc1cc(CN2Cc3cncn3C[C@@H](COc3ncccc3F)C2)no1	PC-id_97477485,ZINC22_96209358	357.382	JHZUILGPCIAVIE-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083288
Cc1cc(CN2CC(COc3ncccc3F)Cn3cncc3C2)no1	EMOLS-id_49233161	357.382	JHZUILGPCIAVIE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083289
C[C@@H]1Cc2nnc(COc3ncccc3F)n2CCN1Cc1ccoc1	ZINC22_585097932	357.382	PMYQLDXYKUFDNF-CYBMUJFWSA-N	00000000101000101101000000000010000000000000000000000000	31-01-083290
C[C@H]1Cc2nnc(COc3ncccc3F)n2CCN1Cc1ccoc1	ZINC22_585097933	357.382	PMYQLDXYKUFDNF-ZDUSSCGKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-083291
C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc(F)c2)Cc2nccn2C1	ZINC22_1875405086	357.382	PNWHQXNSVCYICO-BYCMXARLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-083292
C[C@@H]1C[C@H]1C(=O)N[C@H]1CN(C(=O)c2cncc(F)c2)Cc2nccn2C1	ZINC22_1875405087	357.382	PNWHQXNSVCYICO-KCPJHIHWSA-N	00100000100000101101000000000010000000000000000000000000	31-01-083293
FC1(CC1)C(=O)N1CC(Cn2ncnc2C1)C(=O)NCc1ccccc1	EMOLS-id_313722072	357.382	YRKVZDVNHMNGHM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-083294
Fc1ccc(cc1)N1C[C@@H](CC1=O)NC(=O)c1nnc2n1CCCCC2	PC-id_100024671	357.382	PJUNYVDHAUWENP-CYBMUJFWSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083295
Fc1ccc(cc1)N1C[C@H](CC1=O)NC(=O)c1nnc2n1CCCCC2	PC-id_100024674	357.382	PJUNYVDHAUWENP-ZDUSSCGKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083296
O=C1NCCN1c1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101672969	357.382	XHNPJBHYDKQZKW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083297
O=C(C1CCn2c(CC1)nnc2)NC1CCN(C1=O)c1ccccc1F	EMOLS-id_319924460,MCULE-6723433405	357.382	KAQYSQHIYKEWJF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083298
O=C(N1CCNC(=O)C1c1ccccc1F)C1CCn2c(CC1)nnc2	EMOLS-id_320003996,MCULE-7901809345	357.382	VCULDKXEQPGFDQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083299
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)C2(F)CC2)Cc2ncnn2C1	ZINC22_1565547930	357.382	YRKVZDVNHMNGHM-CQSZACIVSA-N	00100000100000110101000000000010000000000000000000000000	31-01-083300
O=C(NCc1ccccc1)[C@H]1CN(C(=O)C2(F)CC2)Cc2ncnn2C1	ZINC22_1614929354	357.382	YRKVZDVNHMNGHM-AWEZNQCLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-083301
c12C(=O)NCCCc1nc(NC(=O)c1cc3cccc(OC)c3o1)s2	MCULE-5411878206,ZINC22_211128408,PC-id_72719963,EMOLS-id_50139185	357.384	XJWAUMLKMRWTSX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083302
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)C=Cc1cc2c(cc1)OCO2	PC-id_90625373	357.384	MHBXUFDWZYGIJV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083303
Cc1ncn(n1)c1ccc(cc1F)Nc1nc2n(n1)CC[C@](CC2)(C)O	SCHEMBL13284896,PC-id_70876333	357.385	FJLXNJNAKIPNND-QGZVFWFLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-083304
COc1cc(Nc2nc3n(n2)CCCCC3)c(cc1n1cnc(n1)C)F	SCHEMBL13285377,PC-id_70876546	357.385	JQHSTMZJYUKHJQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-083305
Fc1cc(Nc2nn3CCC(O)(CCc3n2)C)ccc1n1nc(nc1)C	PC-id_77943102	357.385	FJLXNJNAKIPNND-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-083306
s1c(C(=O)N2CCCn3nc(cc3C2)C(=O)O)ccc1c1[nH]ccn1	PC-id_50966920	357.387	QDRDQZRNAQWWCR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-083307
O=C(c1cscn1)N1CCc2n(CC1)c(nn2)COc1cncnc1	PC-id_97405426	357.39	MTDSIFLIUFRMAU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083308
FC(F)(F)COc1cccc(CSc2nnc3n2CCCCC3)c1	EMOLS-id_44541710,PC-id_71889317,MCULE-4438076762,ZINC22_79817095	357.394	MKQGSADAOMXWAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083309
C1CCc2c(CC1)sc(c2)C(=O)N=Nc1c([nH]c2c1cc(cc2)F)O	PC-id_135731456	357.402	KVLSOKWCAJVLQJ-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-083310
C1CCc2c(CC1)sc(c2)C(=O)N=Nc1c([nH]c2c1ccc(c2)F)O	PC-id_135776577	357.402	YXHVBGWXIIZBHA-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-083311
c1(NC(=O)c2ccc(cc2F)C#N)sc2c(CCCCC2)c1C(=O)N	ZINC22_804965,BAS-07005002,CoCoCo_359768,PC-id_1087121,MCULE-8429068807,EMOLS-id_1491107	357.402	BTLKMOIHPXGRAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083312
O(C(=O)c1c2-c(c(c1NC(=O)C)C#Cc1ccccc1)ccccc2)CC	PC-id_71551210	357.402	PAGZDYISIOQEAX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-083313
s1c2CCCCCc2cc1C(=O)NNC1=c2c(=NC1=O)ccc(F)c2	PC-id_8159727	357.402	DZHXVMILUBGBSL-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-083314
s1c2CCCCCc2cc1C(=O)NNC1=c2c(=NC1=O)cc(F)cc2	PC-id_8862680	357.402	DCWIVPMDQGUWKQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-083315
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1cccc(OCC)c1	MCULE-2197335798,ZINC22_72426791,PC-id_56896018,EMOLS-id_43114387	357.404	VBHVLOXINFQWCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083316
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Cc1ccccc1OC	SCHEMBL16100080,EMOLS-id_43080603,MCULE-5587833095,PC-id_56887834,ZINC22_72408628	357.404	YPGUUUJOKHNZEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083317
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCOc1ccccc1	ZINC22_72425250,EMOLS-id_43108763,MCULE-5244587027,PC-id_56894638	357.404	JQNIRIWURXLMJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083318
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)C(OC)c1ccccc1	EMOLS-id_43183927,PC-id_56918653,MCULE-2802052192	357.404	GXUPMAJBDUFOPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083319
c1(C(=O)Nc2ccc(cc2)C(=O)OCCOC)c2CCCCCc2[nH]n1	EMOLS-id_335132192,MCULE-5678398705	357.404	KUEXLOBWZHZYRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083320
c1(C(=O)O)cc2n(CCCN(CC(C)Cc3ccc4c(OCO4)c3)C2)n1	PC-id_50968994,EMOLS-id_32407668,MCULE-5011333206	357.404	XUHITPKPTCKNQL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083321
c1(C(=O)OC)cc2n(CCCN(C(=O)COc3ccc(c(C)c3)C)C2)n1	ZINC22_65407846,EMOLS-id_32401746,MCULE-5249676996,SCHEMBL16101210,PC-id_50965884	357.404	XLXRVWHIWDLGOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083322
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1ccc2c(c1)OCO2)O	PC-id_99995591	357.404	CECGSTFYNPHSJQ-MRXNPFEDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083323
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1ccc2c(c1)OCO2)O	PC-id_99995594	357.404	CECGSTFYNPHSJQ-INIZCTEOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083324
CC(C)NOOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_87940790,SCHEMBL6105450	357.404	SLDJBEIMZCASTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083325
CCC(O)c1cc2CN(CCCn2n1)C(=O)Cc1ccc2OCOc2c1	PC-id_91795291,MCULE-6340054938,EMOLS-id_55704432	357.404	CECGSTFYNPHSJQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083326
CC(C)OCc1ncn2c1CN(C(=O)c1ccc3c(c1)OCO3)CCC2	EMOLS-id_46183105,PC-id_97405860,ZINC22_96085042	357.404	HWYYMBMJDZIUHA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083327
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCCn2nc(C(=O)O)cc2C1	PC-id_95131311,ZINC22_65423818	357.404	XUHITPKPTCKNQL-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083328
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCCn2nc(C(=O)O)cc2C1	ZINC22_65423822,PC-id_95131313	357.404	XUHITPKPTCKNQL-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083329
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CCOC[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cncn2C1	ZINC22_96207343,PC-id_97475470	357.404	URGGQUQQZZVNPZ-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083331
CCOC[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2cncn2C1	ZINC22_96207344,PC-id_97475471	357.404	URGGQUQQZZVNPZ-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083332
Cn1ncc2c1CC(C)(C)CN(C(=O)c1cccc(OCC(=O)O)c1)C2	ZINC22_663154797,PC-id_136552854,MCULE-2500890104,EMOLS-id_316874984	357.404	AISVBRZDQGPDRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083333
Cn1ncc2c1CC(C)(C)CN(C(=O)c1ccc(OCC(=O)O)cc1)C2	ZINC22_663155456,MCULE-9199566051,EMOLS-id_316878823	357.404	JGAWRTUDJLVADH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083334
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCC(C2)OC(=O)N(C)C	SCHEMBL365560,PC-id_66667208	357.404	NQYYSWZQKDFTRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083335
COC(CNC1=NCCCc2c1c(c[nH]2)C(=O)Oc1ccccc1)OC	PC-id_142114807	357.404	FUZIOFBUDCOWNO-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-083336
CO[C@H](C(=O)N1CCCn2nc(CCC(=O)O)cc2C1)c1ccccc1	PC-id_95863219,ZINC22_72412102	357.404	GXUPMAJBDUFOPH-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083337
CO[C@@H](C(=O)N1CCCn2nc(CCC(=O)O)cc2C1)c1ccccc1	PC-id_95863220,ZINC22_72412103	357.404	GXUPMAJBDUFOPH-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083338
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O(C(=O)C(=CNn1c2-c(cc1=NCC)ccccc2)C(=O)OCC)CC	PC-id_10618309	357.404	XTGBCVFQYSBGAR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-083342
c12CN(CCCn1nc(CCC(=O)O)c2)CCC(=O)Nc1cccnc1	MCULE-2291379699,EMOLS-id_43106131,PC-id_56893994,ZINC22_72424566	357.407	HSGDBADUACQARC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083343
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1)O)c2)C(=O)N(C)C	ZINC22_82160340,PC-id_70781576,MCULE-8412369886,EMOLS-id_44450303	357.407	BLNNUWCDTQKXHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083344
c12CN(CCCn1nc(CNC(=O)c1cc(no1)C)c2)C(=O)C1CCC1	MCULE-1838851336,ZINC22_77505768,PC-id_70775558,EMOLS-id_43598077	357.407	JPBYSPQGNZGTCM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-083345
c12CN(CCCn1nc(CNC(=O)c1c(C)ocn1)c2)C(=O)C1CCC1	PC-id_70707809,EMOLS-id_44424509,ZINC22_82087290,MCULE-9515693267	357.407	PSZYMAGCONTWEM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-083346
c12CN(CCCn1nc(CNC(=O)c1cc(on1)C)c2)C(=O)C1CCC1	EMOLS-id_44448853,ZINC22_82155798,PC-id_70777370,MCULE-6204422805	357.407	RNVURXLRHRQCQF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-083347
c12CN(CCCn1nc(CNC(=O)c1cnoc1C)c2)C(=O)C1CCC1	MCULE-1065097221,PC-id_70725409,ZINC22_82099200,EMOLS-id_44430709	357.407	ZIOWGITZBXIMNQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-083348
c12C(=O)NCC(O)Cn1nc(C(=O)NCc1ccccc1CN(C)C)c2	MCULE-5456093533,PC-id_119059206,EMOLS-id_82701487	357.407	JRMXONGHTASXKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083349
C1CCc2nnc(n2CC1)C(=O)NC1COCCC1Oc1ccccn1	PC-id_91775040	357.407	PNNAVSKFSRFYGX-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-083350
c1(C(=O)N2CCCn3c(cc(n3)C(O)C3CC3)C2)n[nH]c2CCOCc12	EMOLS-id_55662021,MCULE-5338962116,PC-id_91780738	357.407	AVVGBYCYOJPKEG-UHFFFAOYSA-N	00100000100010000101000000010010000000000000000000000000	31-01-083351
c1(C(=O)N2CCCN(CC2)C(=O)c2ccoc2)nnc2CCCCCn12	MCULE-9714519919,EMOLS-id_316210080,PC-id_134698638,ZINC22_1529110058	357.407	KGWFJRKWSNLEED-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-083352
c1(C(=O)NCc2ncc(c(O)c2C)C)cc2n(CCCN(C(=O)C)C2)n1	ZINC22_67714739,EMOLS-id_36433908,PC-id_56707129,MCULE-8500077970	357.407	YGVPOIDKWIXKCZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083353
CC1Cc2nnc(COc3cccnc3)n2CCN1C(=O)C1CC(O)C1	EMOLS-id_313823525	357.407	VURKBDHYRDZANZ-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-083354
Cc1cc(cc(c1)C)NC(=O)Cn1cnc2c1C(=O)N(C)COCN2C	SCHEMBL20079692,PC-id_134444416	357.407	NBFJZDFMPHUREY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083355
Cc1ccnc(OC2CN(Cc3ccnn3C2)C(=O)C2CCOCC2)n1	EMOLS-id_50007188	357.407	HSUDRHLEMPMKHM-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-083356
Cc1ccnc(O[C@H]2CN(C(=O)C3CCOCC3)Cc3ccnn3C2)n1	ZINC22_253477816	357.407	HSUDRHLEMPMKHM-INIZCTEOSA-N	00000000100010100101000000000010000000000000000000000000	31-01-083357
Cc1ccnc(O[C@@H]2CN(C(=O)C3CCOCC3)Cc3ccnn3C2)n1	ZINC22_253477817	357.407	HSUDRHLEMPMKHM-MRXNPFEDSA-N	00000000100010100101000000000010000000000000000000000000	31-01-083358
Cc1noc(C)c1C(=O)N1Cc2ccnn2CCC1CN1CCCC1=O	EMOLS-id_313815595	357.407	MHFIZXBVZGHVIC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083359
Cc1noc(C)c1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1=O	ZINC22_585097486	357.407	MHFIZXBVZGHVIC-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083360
Cc1noc(C)c1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCCC1=O	ZINC22_585097488	357.407	MHFIZXBVZGHVIC-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083361
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1cccc2c1OCO2	EMOLS-id_99276595	357.407	RLQDDMDLGOMYIP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083362
CC(C)CN(Cc1ccncc1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135111626	357.407	PWBYPBRZYSNCKT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083363
C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1C(=O)C1CC(O)C1	ZINC22_585098630	357.407	VURKBDHYRDZANZ-HSBZDZAISA-N	00001000100000101101000000000010000000000000000000000000	31-01-083364
C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1C(=O)C1CC(O)C1	ZINC22_585098632	357.407	VURKBDHYRDZANZ-IYXRBSQSSA-N	00001000100000101101000000000010000000000000000000000000	31-01-083365
CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cc(C3CC3)on1)CCC2	ZINC22_1565544045,EMOLS-id_313769408	357.407	BPZGCHUBXLEQRW-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-083366
CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cccc(=O)n1C)CCC2	ZINC22_1565543913,EMOLS-id_313769664	357.407	PKBQJQQWOFFWKR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083367
CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cccn(C)c1=O)CCC2	ZINC22_1565545131,EMOLS-id_313769152	357.407	VZDOUBODYCYDLN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083368
CCN(C)C(=O)c1cnn2c1CN(C(=O)c1ccncc1OC)CCC2	ZINC22_1565544628,EMOLS-id_313769920	357.407	OXSVRCCNYOAPAJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083369
CCN(C)C(=O)c1cnn2c1CN(C(=O)Cn1ccccc1=O)CCC2	ZINC22_1565545658,EMOLS-id_313766081	357.407	MGMSTHCKGOKFDM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083370
CC(=O)Nc1cccc(c1)OCCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319224680	357.407	NLWSTBDXGJSDAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083371
CN1C(=O)CCCc2occ(C(=O)Nc3ncn(C4CCCCC4)n3)c12	ZINC22_2325779854	357.407	KTJMMDZNVOGCER-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083372
Cn1ncc2c1CCCN(C(=O)Nc1ccnc(O[C@H]3CCOC3)c1)C2	ZINC22_585140133	357.407	PZNYYUVJKPZNEL-HNNXBMFYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-083373
Cn1ncc2c1CCCN(C(=O)Nc1ccnc(O[C@@H]3CCOC3)c1)C2	ZINC22_585140135	357.407	PZNYYUVJKPZNEL-OAHLLOKOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-083374
CN(C)Cc1ccccc1CNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426373598	357.407	JRMXONGHTASXKO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083375
CN(C)Cc1ccccc1CNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426373599	357.407	JRMXONGHTASXKO-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083376
CN(C)C(=O)c1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1	EMOLS-id_18843674,PC-id_25529363,CoCoCo_4560120,MCULE-8809103723,ZINC22_12811327	357.407	DHYNWZIHOLYETQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083377
CNOC(=O)c1ccc(C)c(CCCn2cnc3c2NC=NCC3O)c1	BindingDB_PC-id_44284874,CHEMBL36986,PC-id_44284874	357.407	VLOVJJNVLZDKLQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-083378
COc1ccc(cc1)C1OCCN(C1)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_316612258	357.407	WLWVHWRDYKVLQQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083379
N#CC(c1nnc2n1CCCCC2)C(=O)NCCCOCc1ccco1	EMOLS-id_48308638,PC-id_75397465,MCULE-1876746416	357.407	BEJZQTDCHAJTOD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-083380
N#C[C@H](C(=O)NCCCOCc1ccco1)c1nnc2n1CCCCC2	ZINC22_95455103,PC-id_97253747	357.407	BEJZQTDCHAJTOD-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-083381
N#C[C@@H](C(=O)NCCCOCc1ccco1)c1nnc2n1CCCCC2	ZINC22_95455104,PC-id_97253748	357.407	BEJZQTDCHAJTOD-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-083382
O1c2cc(C(NC(=O)NCc3n4CCCCCc4nn3)C)ccc2OC1	PC-id_60431688	357.407	SNHNBBFRLILEDY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083383
O1c2cc(CNC(=O)NCCc3n4CCCCCc4nn3)ccc2OC1	PC-id_52220576	357.407	XRKGDJZHHGOGLH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083384
OC1(CC(=O)N2Cc3ccnn3CCC2COc2cnccn2)CCC1	EMOLS-id_313821985	357.407	WRJXYFDIXBLKJI-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-083385
O=C1N(CC(C1)C(=O)NCc1n2CCCCCc2nn1)Cc1occc1	PC-id_51266292	357.407	POSGOZFWOQQTAC-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-083386
O=C(c1ccc(c(n1)C)C(=O)O)NCCCc1nnc2n1CCCCC2	EMOLS-id_72438452,MCULE-9178259825,PC-id_121863170	357.407	NHSBDMOIYILSFK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083387
O=C(c1n[nH]c2c1COCC2)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	PC-id_100063651,ZINC22_220702213	357.407	AVVGBYCYOJPKEG-KRWDZBQOSA-N	00100000100010000101000000010010000000000000000000000000	31-01-083388
O=C(c1n[nH]c2c1COCC2)N1CCCn2nc([C@H](O)C3CC3)cc2C1	PC-id_100063653,ZINC22_220702286	357.407	AVVGBYCYOJPKEG-QGZVFWFLSA-N	00100000100010000101000000010010000000000000000000000000	31-01-083389
O=C(CC1(O)CCC1)N1Cc2ccnn2CC[C@H]1COc1cnccn1	ZINC22_585098355	357.407	WRJXYFDIXBLKJI-HNNXBMFYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-083390
O=C(CC1(O)CCC1)N1Cc2ccnn2CC[C@@H]1COc1cnccn1	ZINC22_585098357	357.407	WRJXYFDIXBLKJI-OAHLLOKOSA-N	00001000100000100101000000000010000000000000000000000000	31-01-083391
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(cc1)N(C(=O)C)C	PC-id_86857829	357.407	KKEHZQHWZCRYRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083392
O=C(COc1cc(C)cc(c1)C)NNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_258029886,MCULE-3542873827	357.407	RNIXUQHGCFRAHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083393
O(CC(=O)N1CCn2c(nnc2CNC(=O)C)CC1)c1c(cccc1)C	PC-id_56710460	357.407	ZFXSAZMYYIOMBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083394
O=C(N1CCCC1C(=O)NCc1ccco1)C1CCn2c(CC1)nnc2	EMOLS-id_319060960	357.407	KYKSCTYIXFLTNX-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-083395
O=C(N1CCCc2c(C1)cnn2C)Nc1ccnc(c1)OC1COCC1	MCULE-7354836245,EMOLS-id_316208938	357.407	PZNYYUVJKPZNEL-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-083396
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)c1c2n(nc1)CCCC2	PC-id_56895397	357.407	ZICINZLHPCLPCZ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083397
O=C(NC1CC1)c1nn2c(CN(CCC2)C(=O)c2onc(C(C)C)c2)c1	PC-id_50953406	357.407	IZJAESPNASLXHA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083398
O=C(NCc1ccc(cc1)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_121993716,MCULE-8889744527,EMOLS-id_72692587	357.407	WLJWVXLFDSHZMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083399
O=C(NCc1n2CCCCCc2nn1)c1cc(NC(=O)OCC)ccc1	PC-id_51266377	357.407	XJYPEMMPIWZXCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083400
O=C(NCc1n2CCCCCc2nn1)CNC(=O)OCc1ccccc1	PC-id_60596232	357.407	JPBYMAXQAACCPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083401
O=C(N[C@@H](c1nnc2n1CCCCC2)C)NCc1ccc(cc1)C(=O)O	PC-id_122000917	357.407	JGWGVGOOVVBNLX-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083402
c12CN(CCCn1nc(CNC(=O)c1cnc(cn1)C)c2)C(=O)N(C)C	MCULE-4801195961,EMOLS-id_44423855,ZINC22_82086578,PC-id_70705913	357.41	RYFWSCPPDXXPFR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083403
c12CN(CCCn1nc(CNC(=O)c1cncnc1C)c2)C(=O)N(C)C	ZINC22_82147033,PC-id_70774732,EMOLS-id_44447915,MCULE-8059069483	357.41	PLWATGWGFZVHFB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083404
c12CN(CCCn1nc(CNC(=O)c1n[nH]c(N)c1)c2)C(=O)C1CCC1	PC-id_70772580,EMOLS-id_44447173,ZINC22_82145607,MCULE-3630869315	357.41	CKVARHRAXUGWAB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-083405
c12nnnn1CCCCC2C(=O)N1CCN(CC1)c1ccc(nc1)OC	EMOLS-id_324111191,MCULE-6124578402,PC-id_146042591	357.41	GLDYIMMRIJCUMP-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-083406
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3noc(CC)n3)C2)n1	PC-id_91767539,MCULE-3859057883,EMOLS-id_55624012	357.41	PSOJHWHNQWGCPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083407
Cn1cnc(C(=O)N2CCCn3cnc(C(=O)NC4CCCC4)c3C2)n1	ZINC22_1565554897,EMOLS-id_313786429	357.41	JOKANIVQVDHTDO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083426
c1(C(=O)N2CCn3c(cc(n3)CNC(=O)C)C2)nnc2CCCCCn12	ZINC22_534652384,PC-id_122566788,EMOLS-id_177456434,MCULE-8113823895	357.41	MMQFWGCBVQMKKD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083408
c1(C(=O)N2CCN(CC2)c2cnn(c(=O)c2)C)nnc2CCCCCn12	MCULE-4178925898,PC-id_91775444,EMOLS-id_55646506,ZINC22_219992297	357.41	ISVXIRMMDNMVAO-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-083409
c1(C(=O)NCc2cc3n(CCCN(C(=O)C)C3)n2)nnc2CCCCn12	ZINC22_299766171,MCULE-8382919546,PC-id_118767097,EMOLS-id_68883517	357.41	CEPWJMQBLLRDIN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083410
c1(C(=O)N(C)Cc2cnc(nc2)NC)cc2n(CCCN(C(=O)C)C2)n1	ZINC22_67757940,EMOLS-id_36449745,MCULE-8290610934,PC-id_56714761	357.41	QJKPXJVGJLMNFW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083411
CC1CC(C1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL19641486	357.41	PXJUXDCOOCYORW-BPCQOVAHSA-N	00001000100000000101000000000010000000000000000000000000	31-01-083412
CC(C1CCc2n1nc(n2)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2)C	SCHEMBL18366633	357.41	UGBWFZOVTAQJLC-PXYINDEMSA-N	00000010100000000101000010000010000000000000000000000000	31-01-083413
CCC1CCCc2n1nc(n2)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18366677	357.41	SATQBAQRTLEBMM-KIYNQFGBSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083414
CCc1nc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)no1	PC-id_100032572,ZINC22_219052203	357.41	PSOJHWHNQWGCPN-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083415
CCc1nc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)no1	ZINC22_219052136,PC-id_100032570	357.41	PSOJHWHNQWGCPN-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083416
CC([C@@H]1CCc2n1nc(n2)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2)C	SCHEMBL18372531	357.41	UGBWFZOVTAQJLC-RYUDHWBXSA-N	00000010100000000101000010000010000000000000000000000000	31-01-083417
CC([C@H]1CCc2n1nc(n2)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2)C	SCHEMBL18372532	357.41	UGBWFZOVTAQJLC-NWDGAFQWSA-N	00000010100000000101000010000010000000000000000000000000	31-01-083418
CC[C@@H]1CCCc2n1nc(n2)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL19658960	357.41	SATQBAQRTLEBMM-NEPJUHHUSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083419
CC(C)NC(=O)C1CN(Cc2ncnn2C1)C(=O)CCc1cncnc1	EMOLS-id_313722329	357.41	RDFPGHDEBJEBKC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083420
CC(C)NC(=O)[C@@H]1CN(C(=O)CCc2cncnc2)Cc2ncnn2C1	ZINC22_1565545870	357.41	RDFPGHDEBJEBKC-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083421
CC(C)NC(=O)[C@H]1CN(C(=O)CCc2cncnc2)Cc2ncnn2C1	ZINC22_1614927426	357.41	RDFPGHDEBJEBKC-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083422
C[C@@H]1C[C@@H](C1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18366828	357.41	PXJUXDCOOCYORW-XQQFMLRXSA-N	00001000100000000101000000000010000000000000000000000000	31-01-083423
C[C@@H]1C[C@H](C1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18366831	357.41	PXJUXDCOOCYORW-AVGNSLFASA-N	00001000100000000101000000000010000000000000000000000000	31-01-083424
Cn1cnc(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)n1	EMOLS-id_313778378,ZINC22_585110611	357.41	ISNZXDBCRGRABR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083425
CCOC(=O)c1c2-c(c(c1N(C)C)C(=O)OCC)cccc(c2)C(C)C	PC-id_102010559	357.443	VCLXYMKUOUNTKO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-083527
COc1ccc(N2CCN(C(=O)[C@H]3CCCCn4nnnc34)CC2)cn1	ZINC22_1857676364	357.41	GLDYIMMRIJCUMP-AWEZNQCLSA-N	00000000100010101101100000000010000000000000000000000000	31-01-083427
COc1ccc(N2CCN(C(=O)[C@@H]3CCCCn4nnnc34)CC2)cn1	ZINC22_1857676366	357.41	GLDYIMMRIJCUMP-CQSZACIVSA-N	00000000100010101101100000000010000000000000000000000000	31-01-083428
COc1ccnc(n1)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316669779	357.41	OJWCJAXKZGONRL-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-083429
COc1cnccc1N1CCN(CC1)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_316883127,MCULE-8603515944	357.41	ZIHPDPSLRYTDJQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-083430
COc1cnccc1N1CCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1	ZINC22_578137248	357.41	ZIHPDPSLRYTDJQ-CYBMUJFWSA-N	00000000100010101101100000000010000000000000000000000000	31-01-083431
COc1cnccc1N1CCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1	ZINC22_578137249	357.41	ZIHPDPSLRYTDJQ-ZDUSSCGKSA-N	00000000100010101101100000000010000000000000000000000000	31-01-083432
O1CCN(CC1)c1ncnc(CNC(=O)c2n3CCCCCc3nn2)c1	PC-id_56898409,EMOLS-id_43124089,MCULE-5216500865	357.41	NNNSAXFIDKZCHC-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-083433
Oc1cccc(c1)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183174	357.41	UKBDRAXHMFWTPJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083434
O=C1C(CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CCC1	SCHEMBL18366484	357.41	XPBHBCHPCPTTMC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-083435
O=C1C(CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1(C)CC1	SCHEMBL19641644	357.41	YVTOBEBWWUGAIK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083436
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1(C)CC1	SCHEMBL18366560	357.41	YVTOBEBWWUGAIK-LBPRGKRZSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083437
O=C(N1CCCn2c(C1)cc(n2)CNC(=O)c1ccc(nc1)N)N(C)C	PC-id_102602746	357.41	HAIKQNLAXTUTOF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083438
O=C(N1CCN(CC1)c1ccccc1O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183078	357.41	XRVNHHSVOFNYLF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083439
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)C1N=NC(=O)C=C1	PC-id_75197995	357.41	VCCOINMFUMASCG-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-083440
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1n[nH]c(=O)cc1	PC-id_46524653	357.41	MNXGIVQFQPECDU-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-083441
CC(c1ccc2-c1ccccc2)NCCCc1cccc(c1)C(F)(F)F	SCHEMBL3851629,PC-id_68813681	357.412	CMQGURSMKMHJQS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-083442
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC1CCCCCC1	PC-id_19527311	357.414	BOTJQUDHGJVSMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083443
CCCCOC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(cc1)F	PC-id_20484199,SCHEMBL11198244	357.419	REVYBIJSKXYTGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083444
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1ccccc1F)C)C	PC-id_20483713,SCHEMBL11197067	357.419	JPXQPWSESWGIBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083445
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1ccc(cc1)F)C)C	SCHEMBL11200447,PC-id_20483740	357.419	ODRVGTNXPXUZDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083446
c1(C(O)C2CCC2)cc2n(CCCN(C(=O)Cc3ccccc3F)C2)n1	EMOLS-id_50531047,MCULE-2285841604,PC-id_90648768	357.422	HUOGQFJFBOJQPI-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-083447
Cc1cc(cc(c1)F)CN1CCc2c(CC1)oc(n2)C(=O)NCC1CC1	PC-id_134807182	357.422	ZFKSQSOZSGACHV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-083448
CN1CCN(c2ccc(F)cc2C(=O)N2CCCc3occc3C2)CC1	MCULE-4593949161,EMOLS-id_177263628,ZINC22_585084138	357.422	GORYWJVFBUGJNJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083449
CNCC(C(n1c(=O)n(c2c1C=CCC=C2)CC)c1cccc(c1)F)O	PC-id_143120399	357.422	QBSPUTRTISNGQA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-083450
Fc1ccc(cc1)N1CCC(C1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100094460	357.422	RTAMAKPKJQDOAR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083451
O=C(Cc1ccccc1F)N1CCCn2nc([C@H](O)C3CCC3)cc2C1	PC-id_100036320,ZINC22_219266902	357.422	HUOGQFJFBOJQPI-HXUWFJFHSA-N	00001000100000110101000000000010000000000000000000000000	31-01-083452
O=C(Cc1ccccc1F)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1	ZINC22_219266853,PC-id_100036318	357.422	HUOGQFJFBOJQPI-FQEVSTJZSA-N	00001000100000110101000000000010000000000000000000000000	31-01-083453
O=C(NCc1c(F)cccc1N1CCCC1)N1CCCc2occc2C1	MCULE-5570230742,EMOLS-id_177264540,ZINC22_461185078	357.422	DQCSVITXBYIQGB-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-083454
O=C(Oc1ccc(N2CCOC2=O)cc1)c1cc2c(s1)CCCCC2	MCULE-8030398289,PC-id_56809127,ZINC22_60867712,EMOLS-id_37000889	357.423	VCHJUQCUYYRACQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083455
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)c1ccccc1	PC-id_7352016	357.423	GTUUKYDEBRDTTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083456
c1(C(=O)NC2CCN(CC2)c2ccccc2F)nnc2CCCCCn12	EMOLS-id_50542089,MCULE-3775882482,PC-id_86286199	357.425	APUDRRHSZGSVBW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083457
c1(C(=O)NCC2CCN(c3ccccc3F)C2)cn2c(CCNCC2)n1	MCULE-5817439324,EMOLS-id_330444607	357.425	HOCASUASNVIQLL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083458
Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1Cc1nnc2n1CCCCC2	ZINC22_368774241	357.425	FVSLWHPZLRKRSW-GOSISDBHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083459
Cc1cc(F)ccc1[C@H]1C(=O)NCCN1Cc1nnc2n1CCCCC2	ZINC22_368774242	357.425	FVSLWHPZLRKRSW-SFHVURJKSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083460
CC1CN(CCN1C(=O)C1CCn2c(CC1)nnc2)c1ccccc1F	EMOLS-id_320103141,MCULE-8587514327	357.425	RIYCTIPPGRQWFU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083461
Fc1ccc(cc1)C1(CCCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102162697	357.425	OMLOYPKZGPUSIT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083462
Fc1ccc(c(c1)C)C1C(=O)NCCN1Cc1nnc2n1CCCCC2	MCULE-3738507544,EMOLS-id_316079837	357.425	FVSLWHPZLRKRSW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083463
Fc1cccc(c1)CN1CCN(CC1=O)Cc1nnc2n1CCCCC2	EMOLS-id_99654114	357.425	NEGZPCSAGYTLMJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-083464
Fc1ccccc1C(=O)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97405615,CHEMBL3554683	357.425	ZPMKDSWQFYLDOH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-083465
Fc1ccc(cc1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	PC-id_97519658,ZINC22_96259576,EMOLS-id_44370700	357.425	JUKBOGLIOHWFSC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-083466
Fc1cccc(c1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	ZINC22_1565548953,EMOLS-id_313732056	357.425	JLTOJDDGQOOWLN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-083467
Fc1cccc(c1)N1CCCC(C1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320110959,MCULE-6143511439	357.425	ACZNWUNOISCTNB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083468
Fc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)N1CCCCC1	EMOLS-id_319244219	357.425	YVRMATSODUCQDA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083469
Fc1ccccc1NC(=O)N1CCCn2cnc(CN3CCCC3)c2C1	ZINC22_96259324,PC-id_97519408,EMOLS-id_44370194	357.425	UZUQIFZOHJIEPU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-083470
Fc1cccc(NC(=O)N2CCCn3cnc(CN4CCCC4)c3C2)c1	ZINC22_96259325,PC-id_97519409,EMOLS-id_44370196	357.425	RTHRXJCGFLZXOB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-083471
Fc1ccc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_51308058	357.425	UFWBWDBCEVMQBG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-083472
Fc1ccc(NC(=O)N2CCCn3cnc(CN4CCCC4)c3C2)cc1	ZINC22_96259326,EMOLS-id_44370198,PC-id_97519410	357.425	PRWFTDCNSHHHMM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-083473
Fc1cc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1	PC-id_46534104	357.425	SODPIRYNUPPVBX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-083474
Fc1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cccc1	PC-id_51308064	357.425	NUILICYIDWAAJS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-083475
NC(=O)c1ccc(c(c1)F)CN(C1CC1)Cc1nnc2n1CCCCC2	EMOLS-id_318365200	357.425	VAOZAAWXJMLHQT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-083476
O=C(C1CC1)N[C@@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)F)C	CoCoCo_1282563,CoCoCo_1282562	357.425	QRVFZKVBLHJZHL-CYBMUJFWSA-N	00100000100000110101000000000010000000000000000000000000	31-01-083477
O=C(C1CC1)N[C@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)F)C	CoCoCo_1282565,CoCoCo_1282564	357.425	QRVFZKVBLHJZHL-ZDUSSCGKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-083478
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(C1)c1ccccc1F	EMOLS-id_101700389	357.425	XFYZNEYGXZLXBG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083479
O=C(NCC1(CC1)c1ccc(cc1)F)NCc1nnc2n1CCCCC2	PC-id_87000135	357.425	HKIBPJZGTREERZ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-083480
O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1cn2c(n1)CCNCC2	ZINC22_1857725658	357.425	HOCASUASNVIQLL-AWEZNQCLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083481
O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1cn2c(n1)CCNCC2	ZINC22_1857725659	357.425	HOCASUASNVIQLL-CQSZACIVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083482
C=CC(=O)Nc1ccc(O)c(C(=O)Nc2nc3c(s2)CCCCC3)c1	ZINC22_1542630646	357.427	CDTJOSFDFVFBRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083483
CN(C=C1CCN(c2c(C1=O)scc2)Cc1ccc(cc1)[N+](=O)[O-])C	SCHEMBL8688564,PC-id_67662238	357.427	UADHIIBHXDMZGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083484
O=c1oc2c(n1C)cccc2C(=O)Nc1sc2c(n1)CCCCCC2	MCULE-6598434682,EMOLS-id_189653095	357.427	HVCBYDBBEXKWEF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083485
s1c2CCCCCc2cc1C(=O)NN=Cc1cc([N+](=O)[O-])c(cc1)C	PC-id_78620778	357.427	YOBJUTRJZKZIIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083486
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1[nH]ccc1)C)C#N	PC-id_9310807	357.427	VMJAXKBSNBKVTF-NSHDSACASA-N	00000000110000000100000000000010000000000000000000000000	31-01-083487
s1c2c(CCCCCC2)c(c1NC(=O)c1cccnc1)C(=O)OCC	PC-id_4191386	358.455	INNMACGMJTVBSV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-084620
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1[nH]ccc1)C)C#N	PC-id_9310808	357.427	VMJAXKBSNBKVTF-LLVKDONJSA-N	00000000110000000100000000000010000000000000000000000000	31-01-083488
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1n(ccc1)C)C#N	PC-id_3607574	357.427	OJHDUJVULIODKY-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-083489
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1[nH]ccc1)C)C#N	PC-id_84977140	357.427	VMJAXKBSNBKVTF-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-083490
c1(C(=O)NCCS(=O)(=O)N2CCOCC2)cn2c(CCNCC2)n1	MCULE-5508340520,EMOLS-id_330472478,ZINC22_1857722117	357.429	BWFFBEGWPNRYSC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083491
COCC1CCCN1S(=O)(=O)N1CCc2nc(cn2CC1)C(=O)N	MCULE-1357103877,EMOLS-id_331100451	357.429	WVGAMTPITXQWCF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083492
COC[C@H]1CCCN1S(=O)(=O)N1CCc2nc(C(=O)N)cn2CC1	ZINC22_1875247056	357.429	WVGAMTPITXQWCF-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083493
COC[C@@H]1CCCN1S(=O)(=O)N1CCc2nc(C(=O)N)cn2CC1	ZINC22_1875247060	357.429	WVGAMTPITXQWCF-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-083494
CS(=O)(=O)N1CCCn2nc(CNC(=O)N3CCOCC3)cc2C1	ZINC22_82087279,EMOLS-id_44424499,PC-id_70707740,MCULE-7658486686	357.429	ITIMTGOOKCVQCR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083495
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc2c(nsn2)c1	MCULE-1738143460,ZINC22_72435983,EMOLS-id_43075461,PC-id_56886569	357.43	LNWDNZQVRAOTOY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083496
c12CN(CCCn1nc(CNC(=O)c1cc3c(ccs3)[nH]1)c2)C(=O)C	EMOLS-id_68940058,MCULE-8602895058,ZINC22_299800253,PC-id_118795092	357.43	VHJNXFHLCWBXOX-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-083497
c12nc[nH]c(=O)c1c(c(C(=O)NCc1c3CCCCCc3[nH]n1)s2)C	ZINC22_828231435,MCULE-9750611543,EMOLS-id_232850288	357.43	MRGLXHZRUWLJDJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083498
c12sccc1ncn(CC(=O)NCc1c3CCCCCc3[nH]n1)c2=O	EMOLS-id_222789789,MCULE-2897293484,ZINC22_670470919	357.43	DSMZWNQWCLNSLF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083499
COc1ccc2c(c1)sc(n2)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101956547	357.43	OAOQCYGHDJSWLC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083500
COc1ccc(c2noc(CSc3nnc4n3CCCCC4)n2)cc1	MCULE-7796269017,CoCoCo_3854854,PC-id_17451288,EMOLS-id_13511812,ZINC22_8539059	357.43	WNLUNXIDMMSJSN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-083501
COc1ccccc1c1noc(CSc2nnc3n2CCCCC3)n1	MCULE-2233514850,ZINC22_7215158,PC-id_8320227,EMOLS-id_3662006,CoCoCo_3654373	357.43	GSSVSPCDZDBRFR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-083502
COc1cccc(c2noc(CSc3nnc4n3CCCCC4)n2)c1	ZINC22_6097206,EMOLS-id_13482232,PC-id_7876737,CoCoCo_3081491,MCULE-4023272175	357.43	JOJQGNATZQKHTG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-083503
n12CCC(CCc1n[nH]c2=O)NC(=O)CCc1sc2c(cccc2)n1	EMOLS-id_50586015,PC-id_91922658,MCULE-3111309074	357.43	UQRDXWIHKFQDLK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083504
n12CCN(CCc1n[nH]c2=O)C(=O)CCCc1sc2ccccc2n1	EMOLS-id_50585831,MCULE-6226557656,PC-id_91922369	357.43	VVRCKJMJMZWMDY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083505
N#CC(c1nnc2n1CCCCC2)C(=O)c1cnc(s1)C1CCCO1	EMOLS-id_98189671	357.43	AVENQOWRVQMKQA-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-083506
O=C(C1CCn2c(CC1)nnc2)Nc1cc2sc(=O)n(c2cc1C)C	EMOLS-id_258127995	357.43	DTZOEZCJLGERIP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083507
O=C(c1cnc2n(c1=O)c(C)c(s2)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101674793	357.43	WEGPFWXQASPNBN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083508
O=C(Cn1nnc(c2ccco2)n1)NCc1cc2c(s1)CCCCC2	PC-id_99789137,MCULE-2333743271,EMOLS-id_50312677,ZINC22_170603106	357.43	VAGDIBMLHOOGSA-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-083509
O=C(N(c1nsc2c1cccc2)C)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_319916357,MCULE-9657949294	357.43	XYUGZDSCQRGPPJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083510
O=C(NCC1CN(Cc2nccs2)Cc2ccnn2C1)c1ccco1	EMOLS-id_50375275	357.43	DYEXIINGWVACSV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-083511
O=C(NC[C@@H]1CN(Cc2nccs2)Cc2ccnn2C1)c1ccco1	ZINC22_247469587	357.43	DYEXIINGWVACSV-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-083512
O=C(NC[C@H]1CN(Cc2nccs2)Cc2ccnn2C1)c1ccco1	ZINC22_247469594	357.43	DYEXIINGWVACSV-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-083513
s1c(nc(C(=O)NCc2n3CCCCCc3nn2)c1)c1oc(cc1)C	PC-id_46445799	357.43	IHNWPZQMOCPTIW-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-083514
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc2c1cc(cc2)C	PC-id_36431764	357.43	HUOJZSBTMARCPT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083515
s1c(/N=N/c2c3-c(cc2)ccccc3)ncc1/N=N/c1ccc(cc1)C	PC-id_21858646	357.432	BNOFMVBPTSITRU-BQASJOSNSA-N	00000010100000110111000000000010000000000000000000000000	31-01-083516
c12nnnn1CCCCC2C(=O)N(C)Cc1[nH]nc(c2cccs2)c1	MCULE-6325253870,EMOLS-id_49674696,PC-id_74247659	357.433	LDVWKYJULAYOMH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-083517
Cc1nc(C(=O)N2CCCn3cnc(Cn4nncc4C)c3C2)cs1	EMOLS-id_313733084,ZINC22_1565550008	357.433	MJYKEVVGTXJZIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083518
Cn1ncc(c1)c1scc(n1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_98166103	357.433	NJSNDJCCLJDXJZ-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-083519
CN(Cc1cc(c2cccs2)n[nH]1)C(=O)[C@H]1CCCCn2nnnc12	PC-id_97938383,ZINC22_97756415	357.433	LDVWKYJULAYOMH-LBPRGKRZSA-N	00000000100100000101100000000010000000000000000000000000	31-01-083520
CN(Cc1cc(c2cccs2)n[nH]1)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_97756414,PC-id_97938382	357.433	LDVWKYJULAYOMH-GFCCVEGCSA-N	00000000100100000101100000000010000000000000000000000000	31-01-083521
CCCC(OC(=O)CC1CCCCc2c(C1(F)F)nnn2C)(CC)C	SCHEMBL20991924,PC-id_138626236	357.439	XRIIPAHOAWOHDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083522
O=C(OC(C)(C)C)CC1CCCCc2c(C1(F)F)nnn2C(C)(C)C	SCHEMBL16980281,PC-id_118284560	357.439	UQUYGHNWNSCIRE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083523
CCCc1cc2n(c1C(=O)c1ccco1)CCCCC2C(=O)OC(C)C	SCHEMBL11195454,PC-id_20483690	357.443	NTAXWSAVTYTQRU-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-083524
CCCc1cc2n(c1C(=O)c1ccoc1)CCCCC2C(=O)OC(C)C	SCHEMBL11197260,PC-id_20483771	357.443	DMRHSZQBHFBRRQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-083525
CCCCCCc1cc(c2-c1ccc(cc2)CC(=O)NO)C(=O)OCC	PC-id_141580529	357.443	PMOZJQYOQWEDNF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-083526
CCOC(=O)c1c(oc2c1cc(ccc2=NC1CCCCC1)C(C)C)O	PC-id_135454092	357.443	LLHGXBBLXXLSMI-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-083528
o1c2-c(cc(ccc2NC2CCCCC2)C(C)C)c(c1=O)C(=O)OCC	PC-id_10360984	357.443	VTCNKROQAJBGJR-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-083529
O(c1c(c(CCCCCC)c2-c1ccc(cc2)C(=O)NOCC)C)C=O	PC-id_57182297	357.443	GZJHGQWJOHGKMQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-083530
c1(NC(=O)CCn2ccc3ccc(F)cc23)sc2c(CCCCC2)n1	MCULE-8443456610,EMOLS-id_323328872	357.445	MLPLOTRZMIFMRL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-083531
Cc1ccc(F)cc1NCC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_43905055,CoCoCo_3845289,PC-id_25646458,MCULE-9800208934,ZINC22_12981834	357.445	HUIMZPSDWACZJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083532
Cc1cc(F)ccc1NCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25646460,CoCoCo_3846325,EMOLS-id_16678306,ZINC22_12981836,MCULE-2263666282	357.445	ICLZPVREBQBZET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083533
C[C@@H](Nc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4223583,PC-id_25655625,ZINC22_12993927	357.445	LXPSMKJNHVSPHR-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083534
C[C@H](Nc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25655626,ZINC22_12993928,CoCoCo_4223582	357.445	LXPSMKJNHVSPHR-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083535
N#Cc1c(NC(=O)C(Nc2ccc(cc2)F)C)sc2c1CCCCC2	EMOLS-id_16691853,MCULE-7364070267,PC-id_45355577	357.445	LXPSMKJNHVSPHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083536
O(c1cc2-c(c1)ccc(cc2)C#N)C(=O)c1ccc(CCCCCC)cc1	PC-id_85630657	357.445	QHFBOWHKHIFCDG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-083537
s1c2CCCCCc2cc1C(=O)NCCNc1c(c(F)ccc1)C#N	PC-id_55731012	357.445	WTOBQDGQZQVNEY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083538
s1c2CCCCCc2nc1NC(=O)Cc1c2c([nH]c1C)ccc(F)c2	PC-id_32065459	357.445	YLEHSMWXWSMLAX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-083539
[C@@]12(CC[C@H](C(C)(C)C1=C)C2)C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	MCULE-1629724731,ZINC22_65384946,EMOLS-id_313070196,PC-id_50955917	357.447	RBSANZBKIAZOOW-XOBRGWDASA-N	00000010100000000101000000000110000000000000000000000000	31-01-083540
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1c(C)cc(c(C)c1)OC	ZINC22_72436675,EMOLS-id_43134638,PC-id_56901559,MCULE-2422955873	357.447	NUMTYGTUTCDYDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083541
c1(CN(C)C(=O)Cc2ccc(cc2OC)OC)c2CCCCCc2[nH]n1	MCULE-5694847191,EMOLS-id_55646952,ZINC22_220014789,PC-id_91775609	357.447	WQVHYHOVWAGGDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083542
c1(CN(C)C(=O)C(O)COc2ccccc2C)c2CCCCCc2[nH]n1	MCULE-1599260959,EMOLS-id_290040155	357.447	KJCAFZVYDHZLHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083543
c1(C(O)C2CC2)cc2n(CCCN(Cc3ccccc3OCCO)C2)n1	EMOLS-id_55644164,PC-id_91774615,MCULE-7725091832	357.447	CFLQDPTWUUULFR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-083544
Cc1cc(c(cc1)C(C)C)OCc1nnc2n1CCC(CC2)C(=O)OC	PC-id_136557175,EMOLS-id_316953665,MCULE-7352058775	357.447	WXCRTIKIKRXSBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083545
Cc1ccccc1OC[C@@H](O)C(=O)N(C)Cc1n[nH]c2c1CCCCC2	ZINC22_952987652	357.447	KJCAFZVYDHZLHW-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083546
Cc1ccccc1OC[C@H](O)C(=O)N(C)Cc1n[nH]c2c1CCCCC2	ZINC22_952987663	357.447	KJCAFZVYDHZLHW-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083547
C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCCn3nc(C(=O)OC)cc3C1)C2	ZINC22_74481351	357.447	RBSANZBKIAZOOW-JLTOFOAXSA-N	00000010100000000101000000000110000000000000000000000000	31-01-083548
Cc1ccoc1C(=O)N1Cc2ccnn2CCC1COCC1CCCC1	EMOLS-id_313822242	357.447	CWYMTCZRXFHJAX-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-083549
Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@@H]1COCC1CCCC1	ZINC22_585096811	357.447	CWYMTCZRXFHJAX-GOSISDBHSA-N	00000010101000000101000000000010000000000000000000000000	31-01-083550
Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@H]1COCC1CCCC1	ZINC22_585096814	357.447	CWYMTCZRXFHJAX-SFHVURJKSA-N	00000010101000000101000000000010000000000000000000000000	31-01-083551
Cc1occc1C(=O)N1Cc2ccnn2CCC1COCC1CCCC1	EMOLS-id_313745334	357.447	YVXQMDOYYHBBRP-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-083552
Cc1occc1C(=O)N1Cc2ccnn2CC[C@@H]1COCC1CCCC1	ZINC22_585098448	357.447	YVXQMDOYYHBBRP-GOSISDBHSA-N	00000010101000000101000000000010000000000000000000000000	31-01-083553
Cc1occc1C(=O)N1Cc2ccnn2CC[C@H]1COCC1CCCC1	ZINC22_585098450	357.447	YVXQMDOYYHBBRP-SFHVURJKSA-N	00000010101000000101000000000010000000000000000000000000	31-01-083554
CCC1N(CCCn2ccnc12)C(=O)CCc1ccc(OC)c(OC)c1	MCULE-2616219461,EMOLS-id_55717344	357.447	MPCDZTPSKAMGGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083555
CC(C)(C)c1ccc(cc1)OCc1nnc2n1CCC(CC2)C(=O)OC	MCULE-2241892083,EMOLS-id_316953921,PC-id_136557176	357.447	FZVBJGOOPVFZMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083556
CC(C)COCC1CN(Cc2ccc3OCOc3c2)Cc2cncn2C1	EMOLS-id_49236263	357.447	BJHUJCIFEUIDNF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083557
CC(C)COC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn2C1	PC-id_97484729,ZINC22_96217675	357.447	BJHUJCIFEUIDNF-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083558
CC(C)COC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cncn2C1	PC-id_97484730,ZINC22_96217676	357.447	BJHUJCIFEUIDNF-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083559
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)CCCOc1ccccc1)O	PC-id_99982918	357.447	SXPWZKWMQKXCGW-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083560
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)CCCOc1ccccc1)O	PC-id_99982921	357.447	SXPWZKWMQKXCGW-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-083561
CCC(O)c1cc2CN(CCCn2n1)C(=O)CCCOc1ccccc1	MCULE-9011451514,PC-id_91785946,EMOLS-id_55676975	357.447	SXPWZKWMQKXCGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083562
C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCCOCc1ccccc1)C2	PC-id_100046334,ZINC22_219730425	357.447	JEJMUGFAGAGILE-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083563
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCCOCc1ccccc1)C2	ZINC22_219730360,PC-id_100046332	357.447	JEJMUGFAGAGILE-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083564
CC(O)c1cc2CN(CCCn2n1)C(=O)CCCOCc1ccccc1	MCULE-5433972439,EMOLS-id_50533465,PC-id_90649420	357.447	JEJMUGFAGAGILE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083565
CCOc1ccc(CCC(=O)N2Cc3ccnn3C[C@@H](OCC)C2)cc1	ZINC22_253387108	357.447	ZFZIAYYEQGMBQG-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-083566
CCOc1ccc(CCC(=O)N2Cc3ccnn3C[C@H](OCC)C2)cc1	ZINC22_253387109	357.447	ZFZIAYYEQGMBQG-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083567
CCOC1CN(Cc2ccnn2C1)C(=O)CCc1ccc(OCC)cc1	EMOLS-id_50008400	357.447	ZFZIAYYEQGMBQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083568
CNC(=O)CC1CN(Cc2cc(OC)cc(OC)c2)Cc2cccn2C1	EMOLS-id_313811488	357.447	IFFHDDHRCAXKPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083569
CNC(=O)C[C@H]1CN(Cc2cc(OC)cc(OC)c2)Cc2cccn2C1	ZINC22_585099075	357.447	IFFHDDHRCAXKPY-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083570
CNC(=O)C[C@@H]1CN(Cc2cc(OC)cc(OC)c2)Cc2cccn2C1	ZINC22_585099076	357.447	IFFHDDHRCAXKPY-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083571
COc1ccc(c(c1)CCNC(=O)Cn1cc2c(n1)CCCCC2)OC	PC-id_20892474,CoCoCo_2192316	357.447	DUQDFAVAVRRDSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083572
COc1cccc(CC(=O)N2CCCn3cnc(COC(C)C)c3C2)c1	ZINC22_96085043,PC-id_97405861,EMOLS-id_46183107	357.447	BDGLPPNXJQEBOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083573
COc1cc(CCNC(=O)Cn2cc3c(n2)CCCCC3)ccc1OC	PC-id_20892434,CoCoCo_2192264	357.447	TYLKWNGFDIGGBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083574
COC(=O)[C@H]1CCc2nnc(COc3cc(C)ccc3C(C)C)n2CC1	ZINC22_601045371	357.447	WXCRTIKIKRXSBU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083575
COC(=O)[C@@H]1CCc2nnc(COc3cc(C)ccc3C(C)C)n2CC1	ZINC22_601045372	357.447	WXCRTIKIKRXSBU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083576
COC(=O)[C@H]1CCc2nnc(COc3ccc(C(C)(C)C)cc3)n2CC1	ZINC22_601043628	357.447	FZVBJGOOPVFZMV-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083577
COC(=O)[C@@H]1CCc2nnc(COc3ccc(C(C)(C)C)cc3)n2CC1	ZINC22_601043629	357.447	FZVBJGOOPVFZMV-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083578
OCCOc1ccccc1CN1CCCn2nc([C@H](O)C3CC3)cc2C1	PC-id_100049452,ZINC22_219912455	357.447	CFLQDPTWUUULFR-HXUWFJFHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-083579
OCCOc1ccccc1CN1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_219912422,PC-id_100049451	357.447	CFLQDPTWUUULFR-FQEVSTJZSA-N	00100000100000110101000000000010000000000000000000000000	31-01-083580
O=C(N1CCCn2nc(cc2C1)C(=O)OC)C12CC(C(C1=C)(C)C)CC2	PC-id_75589638	357.447	RBSANZBKIAZOOW-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-083581
O=C(NCc1c(OC)c(OC)ccc1)Cn1nc2CCCCCCc2c1	PC-id_20892505	357.447	RIKRCCVFRMQTGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083582
s1c2c(CCCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C#N	PC-id_3658936	357.447	BJRKVCNTDTWVOA-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-083583
s1c2c(CCCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C#N	PC-id_7308719	357.447	BJRKVCNTDTWVOA-ZIAGYGMSSA-M	00000000100011000100000000000010000000000000000000000000	31-01-083584
s1c2c(CCCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C#N	PC-id_7308720	357.447	BJRKVCNTDTWVOA-UONOGXRCSA-M	00000000100011000100000000000010000000000000000000000000	31-01-083585
s1c2c(CCCCCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C#N	PC-id_7308722	357.447	BJRKVCNTDTWVOA-KGLIPLIRSA-M	00000000100011000100000000000010000000000000000000000000	31-01-083586
s1c2c(CCCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C#N	PC-id_7308724	357.447	BJRKVCNTDTWVOA-KBPBESRZSA-M	00000000100011000100000000000010000000000000000000000000	31-01-083587
s1c(NC(=O)C2C3CC(C2C(=O)[O-])CC3)c(c2c1CCCCC2)C#N	PC-id_74533598	357.447	BUFIZIKZFCQXPW-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-083588
s1c(NC(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C#N	PC-id_27519482	357.447	BUFIZIKZFCQXPW-KTQGLZRJSA-M	00000010100010000100000000000110000000000000000000000000	31-01-083589
s1c(NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C#N	PC-id_27519484	357.447	BUFIZIKZFCQXPW-OJXGSEEGSA-M	00000010100010000100000000000110000000000000000000000000	31-01-083590
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C#N	PC-id_51416421	357.447	BUFIZIKZFCQXPW-CJTUPEFNSA-M	00000010100010000100000000000110000000000000000000000000	31-01-083591
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C#N	PC-id_51416423	357.447	BUFIZIKZFCQXPW-OVTCNUJSSA-M	00000010100010000100000000000110000000000000000000000000	31-01-083592
C/C=C(C(=C)c1nc2c([nH]1)C=CCC=C2)/NC(=C)c1cccc2c1OCC2	PC-id_143600775	357.448	FJOGLYKLLKMUOI-RMOCHZDMSA-N	00000010100000100111000000001010000000000000000000000000	31-01-083593
COc1ccccc1N1CCN(CC1)Cc1cc(c2-c1ccccc2)C#N	PC-id_71463207,BindingDB_PC-id_71463207	357.448	LQGNDHYNCHVOGU-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-083594
O=C(C(=O)Nc1nc2c(s1)CCCCC2)NC1CCS(=O)(=O)C1	EMOLS-id_111808710	357.448	SEHCISYYWVOKMA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083595
c12CN(CCCn1nc(CN1CCCC1C)c2)C(=O)NCc1ccco1	PC-id_56903587,EMOLS-id_43140520,MCULE-7713949894	357.45	VCOOQZSGLGXCJU-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-083596
c12CN(CCCn1nc(C#N)c2)C(=O)C1CCN(CC1)C1CCOCC1	PC-id_119069192,ZINC22_426563169,MCULE-3493217132,EMOLS-id_82728295	357.45	TZKUHTFKACKIIM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083597
c12CN(CCCn1nc(CNC(=O)c1ccc(=O)n(C)c1)c2)CC(C)C	ZINC22_82117016,EMOLS-id_44437157,PC-id_70743429,MCULE-4224072637	357.45	BJXMOWHFWCMQTC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083598
c12CN(CCCn1nc(CNC(=O)c1ccnc(OC)c1)c2)CC(C)C	PC-id_70761439,MCULE-3592189876,EMOLS-id_44443315,ZINC22_82134292	357.45	IAJUXOMJSJFGIN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083599
c12CN(CCCn1nc(CNC(=O)[C@@H]1C[C@H]3C[C@@H]1C=C3)c2)C(=O)N(C)C	PC-id_70769586,MCULE-2933183151,EMOLS-id_44446189,ZINC22_82138617	357.45	LVUKIOLHBJMOOR-JKIFEVAISA-N	00000011100000000101000000000110000000000000000000000000	31-01-083600
c12CN(CCCn1nc(CNC(=O)Cn1ccccc1=O)c2)CC(C)C	PC-id_70777505,ZINC22_82158259,MCULE-6649349983,EMOLS-id_44448899	357.45	QJMRBBKDAGFOHN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083601
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(cn1)CC	EMOLS-id_46049943,PC-id_72872215,MCULE-3777401920,ZINC22_91562848	357.45	GFLWIKVNPBJXMG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083602
c1(C2CCCCN2C(=O)CCc2cc3n(CCCNC3)n2)cc(on1)C	MCULE-5882442996,EMOLS-id_43062710,PC-id_70709009	357.45	XMSLNVMQGBCIOB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083603
c1(cc2n(CCCN(C)C2)n1)C(=O)N1CCCC1c1cc(on1)C(C)C	MCULE-3907788957,PC-id_50985394,EMOLS-id_32438354	357.45	CYWLBRSFLPQGEM-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-083604
c1(C(CC(C)C)NC(=O)c2cccc(C)c2O)nnc2CCNCCn12	MCULE-9538944554,EMOLS-id_36447901,PC-id_56713867	357.45	RVUWZYIJDMYQNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083605
c1(C(CC(C)C)NC(=O)Cc2cccc(O)c2)nnc2CCNCCn12	MCULE-2028570237,EMOLS-id_36447485,PC-id_56713663	357.45	DZYHNNQXIBVQAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083606
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3ccc(CC)o3)CCn12	MCULE-3253372948,EMOLS-id_20411336,ChEMBL-DNDi_CHEMBL13183960,PC-id_45173055	357.45	PPGWIQCWKRMONQ-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-083607
c1(c(C)noc1C)C1CCCN1C(=O)CCc1cc2n(CCCNC2)n1	PC-id_70732621,MCULE-5579511915,EMOLS-id_43105049	357.45	ACQCBTDHNBEQQX-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-083608
c1(CN(C)C(=O)CCc2cc3n(CCCNC3)n2)c2CCCCc2on1	ZINC22_72480011,MCULE-1265819415,EMOLS-id_43177275,PC-id_70783736	357.45	UJDPPWTVWOMQHV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083609
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)C3CCCCC3)C2)n1	EMOLS-id_55671525,PC-id_91784059,MCULE-2140915244	357.45	MHFQKRYECDXTDJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083610
c1(C(=O)C)c(C)n(nc1C)CCC(=O)NCc1c2CCCCCc2[nH]n1	ZINC22_670456439,MCULE-1665597204,EMOLS-id_222775439	357.45	YKZSJYDIEBHJMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083611
c1(C(=O)NCc2cc3n(CCCN(CCC)C3)n2)ccc(n(C)c1=O)C	EMOLS-id_44451147,PC-id_70783873,ZINC22_82161363,MCULE-4136864127	357.45	NGJLTCSFEUZAQY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083612
c1(C(=O)NCc2cc3n(CCCN(CC(C)C)C3)n2)c[nH]c(cc1=O)C	PC-id_70712247,EMOLS-id_44426139,ZINC22_82092113,MCULE-9512647336	357.45	GDKJDIYPODSJLS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083613
c1(C(=O)O)nn(c2CCC(Cc12)NCc1c2CCCCCc2[nH]n1)CC	EMOLS-id_36451625,MCULE-3534797802,PC-id_56715674	357.45	ITDUTNAYUKSPBZ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083614
CC1Cc2nnc(COc3cccnc3)n2CCN1CC1CCOCC1	EMOLS-id_313824037	357.45	ONJOQNSOLKLEJV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-083615
Cc1ccc(cc1)OCCN(C(=O)NCc1nnc2n1CCCCC2)C	PC-id_86927506	357.45	AHHYTHABRULPSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083616
Cc1cccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCNCC3)c1O	PC-id_95205835,ZINC22_67726125	357.45	RVUWZYIJDMYQNT-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083617
Cc1cccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCNCC3)c1O	ZINC22_67726128,PC-id_95205836	357.45	RVUWZYIJDMYQNT-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083618
Cc1cc([C@@H]2CCCCN2C(=O)CCc2cc3n(n2)CCCNC3)no1	PC-id_95862867,ZINC22_72411406	357.45	XMSLNVMQGBCIOB-SFHVURJKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083619
Cc1cc([C@H]2CCCCN2C(=O)CCc2cc3n(n2)CCCNC3)no1	ZINC22_72411407,PC-id_95862868	357.45	XMSLNVMQGBCIOB-GOSISDBHSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083620
Cc1cc(CN2Cc3cccn3C[C@@H](CC(=O)N3CCCO3)C2)n(C)n1	ZINC22_585099125	357.45	OCCQNETYJFOQGA-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083621
Cc1cc(CN2Cc3cccn3C[C@H](CC(=O)N3CCCO3)C2)n(C)n1	ZINC22_585099126	357.45	OCCQNETYJFOQGA-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083622
Cc1cc(CN2Cc3ccnn3C[C@@H](CCNC(=O)CC3CC3)C2)no1	ZINC22_247884719	357.45	CXZYPUBKHZMWBD-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083623
Cc1cc(CN2Cc3ccnn3C[C@H](CCNC(=O)CC3CC3)C2)no1	ZINC22_247884724	357.45	CXZYPUBKHZMWBD-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083624
Cc1cc(CN2CC(CCNC(=O)CC3CC3)Cn3nccc3C2)no1	EMOLS-id_50375689	357.45	CXZYPUBKHZMWBD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083625
Cc1cc(CN2CC(CC(=O)N3CCCO3)Cn3cccc3C2)n(C)n1	EMOLS-id_313809709	357.45	OCCQNETYJFOQGA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083626
CC1CCN(CC2CCn3nccc3CN2C(=O)c2ocnc2C)CC1	EMOLS-id_313816871	357.45	NAYOETDTTSEXBN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083627
Cc1ccnc(OCC2CN(CC3CCOCC3)Cc3cncn3C2)n1	EMOLS-id_49238885	357.45	YLINTDCPFWWOFK-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-083628
Cc1ccnc(OC[C@H]2CN(CC3CCOCC3)Cc3cncn3C2)n1	PC-id_97487296,ZINC22_96220429	357.45	YLINTDCPFWWOFK-KRWDZBQOSA-N	00000000100010100101000000000010000000000000000000000000	31-01-083629
Cc1ccnc(OC[C@@H]2CN(CC3CCOCC3)Cc3cncn3C2)n1	PC-id_97487297,ZINC22_96220430	357.45	YLINTDCPFWWOFK-QGZVFWFLSA-N	00000000100010100101000000000010000000000000000000000000	31-01-083630
Cc1cn(nc1C(=O)N1Cc2cn[nH]c2CC(C1)(C)C)C1CCOCC1	EMOLS-id_316666968	357.45	PLLXVFYXPZQDAS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083631
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCC(C)CC1	ZINC22_585097588	357.45	NAYOETDTTSEXBN-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083632
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCC(C)CC1	ZINC22_585097589	357.45	NAYOETDTTSEXBN-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083633
Cc1noc(C)c1[C@@H]1CCCN1C(=O)CCc1cc2n(n1)CCCNC2	PC-id_95869518,ZINC22_72424292	357.45	ACQCBTDHNBEQQX-KRWDZBQOSA-N	00000010100000000101100000000010000000000000000000000000	31-01-083634
Cc1noc(C)c1[C@H]1CCCN1C(=O)CCc1cc2n(n1)CCCNC2	PC-id_95869519,ZINC22_72424293	357.45	ACQCBTDHNBEQQX-QGZVFWFLSA-N	00000010100000000101100000000010000000000000000000000000	31-01-083635
CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)o1	CoCoCo_1146802,CoCoCo_1146803,ZINC22_19740703,PC-id_28309902	357.45	PPGWIQCWKRMONQ-ZDUSSCGKSA-N	00100000101000000101000000000010000000000000000000000000	31-01-083636
CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)o1	PC-id_28309901,ZINC22_19740701,CoCoCo_1146801,CoCoCo_1146800	357.45	PPGWIQCWKRMONQ-CYBMUJFWSA-N	00100000101000000101000000000010000000000000000000000000	31-01-083637
CCc1nnc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCCCC4)[C@H]2C)o1	EMOLS-id_316132722,ZINC22_952852633,MCULE-3622572486	357.45	JRTRZLFDHUOKFU-STQMWFEESA-N	00000000100010000101100000000010000000000000000000000000	31-01-083638
CC(C)c1ccccc1NC(=O)CN(C)Cc1nnc2n1CCOCC2	ZINC22_1875274871	357.45	VXLKXQGTQUNHMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083639
CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc3n(n2)CCCN(C)C3)no1	ZINC22_65535511,PC-id_95149190	357.45	CYWLBRSFLPQGEM-KRWDZBQOSA-N	00000010100000000101100000000010000000000000000000000000	31-01-083640
CC(C)c1cc([C@H]2CCCN2C(=O)c2cc3n(n2)CCCN(C)C3)no1	ZINC22_65535514,PC-id_95149191	357.45	CYWLBRSFLPQGEM-QGZVFWFLSA-N	00000010100000000101100000000010000000000000000000000000	31-01-083641
CC(C)C[C@H](NC(=O)Cc1cccc(O)c1)c1nnc2n1CCNCC2	PC-id_95205270,ZINC22_67724142	357.45	DZYHNNQXIBVQAU-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083642
CC(C)C[C@@H](NC(=O)Cc1cccc(O)c1)c1nnc2n1CCNCC2	ZINC22_67724148,PC-id_95205271	357.45	DZYHNNQXIBVQAU-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083643
CC(C)CCNC(=O)C1CCc2nn(Cc3ccncc3)c(=O)n2CC1	MCULE-6453525836,EMOLS-id_207877107	357.45	AHBUCTGJKXYHDV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083644
CC(C)Cn1nc2CCCCC(C(=O)NCCc3ccncc3)n2c1=O	EMOLS-id_207869370,MCULE-3188680967	357.45	LBLZVGGFPONWOQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083645
CC(C)CNC(=O)c1ncn2c1CN(C(=O)C1(C#N)CCCC1)CCC2	ZINC22_1565546470,EMOLS-id_313789755	357.45	CITQBOLIQQIZKD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083646
CC(C)CNC(=O)c1ncn2c1CN(C(=O)CCc1ccc[nH]1)CCC2	EMOLS-id_313790011,ZINC22_1565546246	357.45	WMCANLJUGNZAOY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-083647
CCCCOC1c2c(ncn2Cc2ccc(OC)cc2)N=CN(C)N1C	CHEMBL9381,BindingDB_PC-id_9975611,PC-id_9975611	357.45	DVJNDDVJESLJKZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-083648
CC(C)(C)OC(=O)N1CCn2c(Cc3ccccn3)nnc2CC1(C)C	ZINC22_865215109,PC-id_136557190,EMOLS-id_316953922,MCULE-9790317494	357.45	JJYFLCGLAZDECK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083649
CC(Cn1nc2n(c1=O)C(CCCC2)C(=O)N(Cc1cccnc1)C)C	PC-id_146074259,EMOLS-id_207869376	357.45	NGXXEOQZQPQDTP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083650
CCCN(C)C(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	EMOLS-id_207877254,MCULE-7517492274	357.45	ZSUGAYBEOIHBPU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083651
C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1CC1CCOCC1	ZINC22_585097876	357.45	ONJOQNSOLKLEJV-HNNXBMFYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-083652
C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1CC1CCOCC1	ZINC22_585097879	357.45	ONJOQNSOLKLEJV-OAHLLOKOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-083653
C[C@@H]1CCCN1Cc1cc2n(n1)CCCN(C(=O)NCc1ccco1)C2	PC-id_95880868,ZINC22_72447766	357.45	VCOOQZSGLGXCJU-OAHLLOKOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-083654
C[C@H]1CCCN1Cc1cc2n(n1)CCCN(C(=O)NCc1ccco1)C2	ZINC22_72447767,PC-id_95880869	357.45	VCOOQZSGLGXCJU-HNNXBMFYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-083655
C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1Cc2c[nH]nc2CC(C)(C)C1	EMOLS-id_324072487,ZINC22_1875314820,MCULE-2485476681,PC-id_146093576	357.45	UVUPHHMSLXQLMR-NEPJUHHUSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083656
C[C@@H]1O[C@H](C)Cc2c(C(=O)N3Cc4c[nH]nc4CC(C)(C)C3)nn(C)c12	ZINC22_1857529775,PC-id_146101378,EMOLS-id_324038232,MCULE-3750761645	357.45	NSBWKWZCWVTLAF-NEPJUHHUSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083657
C[C@@H]1O[C@H](C)Cc2c(C(=O)N3Cc4cnn(C)c4CC(C)(C)C3)n[nH]c12	PC-id_145910973,EMOLS-id_320290772,MCULE-1988228083,ZINC22_1857528448	357.45	ARNHVZROICQWBT-NEPJUHHUSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083658
CCn1cc(CN2Cc3cccn3C[C@@H](CC(=O)N3CCCO3)C2)cn1	ZINC22_585098999	357.45	AETIGXSPZPCXHV-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083659
CCn1cc(CN2Cc3cccn3C[C@H](CC(=O)N3CCCO3)C2)cn1	ZINC22_585099000	357.45	AETIGXSPZPCXHV-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083660
CCn1cc(CN2CC(CC(=O)N3CCCO3)Cn3cccc3C2)cn1	EMOLS-id_313809965	357.45	AETIGXSPZPCXHV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083661
CC(n1cnnc1C1CCCN(C1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_111930100	357.45	AXXGYTUTOVNCEC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083662
CCn1nc2c(c1C(=O)N1CCCc3c(cnn3C)C1)C[C@H](C)O[C@@H]2C	PC-id_146100341,ZINC22_1875314397,EMOLS-id_324067151,MCULE-4752272995	357.45	VZGQEGQAZUXXFG-QWHCGFSZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083663
CCn1nc(C(=O)O)c2c1CC[C@H](NCc1[nH]nc3c1CCCCC3)C2	PC-id_95211665,ZINC22_67789562	357.45	ITDUTNAYUKSPBZ-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083664
CCn1nc(C(=O)O)c2c1CC[C@@H](NCc1[nH]nc3c1CCCCC3)C2	ZINC22_67789561,PC-id_95211664	357.45	ITDUTNAYUKSPBZ-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083665
CCN(CCNC(=O)C1CCCCc2n[nH]c(=O)n12)Cc1ccccc1	MCULE-8135173027,EMOLS-id_207869337	357.45	UAVNIDBVBCLDKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083666
CC(O)c1cc2CN(CCCn2n1)C(=O)CCc1n[nH]c2CCCCc12	PC-id_91777006,MCULE-9615723677,EMOLS-id_55651099	357.45	MMBULCBJWPRNLJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083667
CCOc1ccc(cc1NCc1nnc2n1CCCCC2)C(=O)N(C)C	EMOLS-id_318311981	357.45	HPPRINOFNKBVAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083668
[C@@H]12CNC[C@@H]1[C@H]2C(=O)NCc1cc2n(CCCN(C(=O)C3CCC3)C2)n1	MCULE-1320942496,ZINC22_102601221,EMOLS-id_43583533	357.45	XBWHAZXLZMNUSC-FVQHAEBGSA-N	00101010100000000101010000000010000000000000000000000000	31-01-083669
CN1CCC(CC1)N(C(=O)C1CCn2c(CC1)nnc2)Cc1ccco1	EMOLS-id_319325855	357.45	LBQFHIAPJHHMJX-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-083670
Cn1cc(CN2Cc3cccn3C[C@H](OCC(=O)N3CCCC3)C2)cn1	ZINC22_248165057	357.45	ZJKCJYRSXMGFHF-GOSISDBHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083671
Cn1cc(CN2Cc3cccn3C[C@@H](OCC(=O)N3CCCC3)C2)cn1	ZINC22_248165058	357.45	ZJKCJYRSXMGFHF-SFHVURJKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083672
Cn1cc(CN2CC(Cn3cccc3C2)OCC(=O)N2CCCC2)cn1	EMOLS-id_50014354	357.45	ZJKCJYRSXMGFHF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083673
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)C1CCCCC1)C2	ZINC22_222497778,PC-id_100101203	357.45	MHFQKRYECDXTDJ-SFHVURJKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083674
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)C1CCCCC1)C2	ZINC22_222497846,PC-id_100101208	357.45	MHFQKRYECDXTDJ-GOSISDBHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083675
CN(Cc1nc(ccc1)OC)C1CCc2nn(c(=O)n2CC1)CC1CC1	PC-id_91922735	357.45	RDDZJUGLONZZCH-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-083676
CN(CC(c1ccccc1)NC(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_86925602	357.45	HVIYBBATUXTEQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083677
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cccn1C1CC1)C2	ZINC22_220430374,PC-id_100058535	357.45	XKQZSOZODYGUCD-GOSISDBHSA-N	00100000110000000101100000000010000000000000000000000000	31-01-083678
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cccn1C1CC1)C2	ZINC22_220430447,PC-id_100058537	357.45	XKQZSOZODYGUCD-SFHVURJKSA-N	00100000110000000101100000000010000000000000000000000000	31-01-083679
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)c1cccn1C1CC1	EMOLS-id_55655878,MCULE-3945888016,PC-id_91778667	357.45	XKQZSOZODYGUCD-UHFFFAOYSA-N	00100000110000000101100000000010000000000000000000000000	31-01-083680
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)CCc1cccnc1	PC-id_91762210,MCULE-9397047981,EMOLS-id_55609038	357.45	ZTEOJFWUZJPEFI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083681
CN(C[C@H](c1nn2c(c1)CN(CCC2)C(=O)CCc1cccnc1)O)C	PC-id_100012568	357.45	ZTEOJFWUZJPEFI-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083682
CN(C[C@@H](c1nn2c(c1)CN(CCC2)C(=O)CCc1cccnc1)O)C	PC-id_100012572	357.45	ZTEOJFWUZJPEFI-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083683
CN(CCOc1ccc(cc1)N(C(=O)C1CCn2c(CC1)nnc2)C)C	EMOLS-id_257965990	357.45	YSQJEGYOSKYHIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083684
s1c2CCCCCCc2nc1NC(=O)COc1ccc(cc1)C(=O)C	PC-id_56021332	358.455	WBHMATIZDAPTTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084621
CN(CCOc1cc(C)ccc1NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319100430	357.45	UOMMMSBAEMQLNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083685
CN(C)C(=O)COCc1nnn2c1CN(CCc1ccccc1)CCC2	ZINC22_2055718097,EMOLS-id_313734363	357.45	KKZHSGGAYZTAPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083686
CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@H]3C[C@H]4C=C[C@@H]3C4)cc2C1	ZINC22_1565527377	357.45	LVUKIOLHBJMOOR-VBQJREDUSA-N	00000011100000000101000000000110000000000000000000000000	31-01-083687
CN(C(=O)NCc1nnc2n1CCCCC2)CCOc1ccccc1C	PC-id_86927505	357.45	ASSKIOHSERWZKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083688
COc1ccccc1C(=O)NCc1nnc2CCN(CC(C)C)CCn12	MCULE-3110071133,EMOLS-id_232713776,ZINC22_11995268,PC-id_42339982	357.45	PYJOVVZXBYABTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083689
COc1cc(C)c(cc1C)CN1CCn2c(CC1)nnc2CNC(=O)C	ChEMBL-DNDi_CHEMBL15130721,PC-id_28313100	357.45	HWCMGGIMSAJWCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083690
COc1ncccc1CCNC(=O)N1Cc2cnn(C)c2CC(C)(C)C1	MCULE-6222551062,ZINC22_685938934,EMOLS-id_276237597	357.45	QIQNRDCBVJDBKB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083691
COc1ncccc1CN1CCn2c(COCC3CC3)nnc2CC1C	EMOLS-id_313823782	357.45	GEXZGXIMXLTLMV-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-083692
COc1ncccc1CN1CCn2c(COCC3CC3)nnc2C[C@@H]1C	ZINC22_585097149	357.45	GEXZGXIMXLTLMV-AWEZNQCLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-083693
COc1ncccc1CN1CCn2c(COCC3CC3)nnc2C[C@H]1C	ZINC22_585097152	357.45	GEXZGXIMXLTLMV-CQSZACIVSA-N	00100000100000101101000000000010000000000000000000000000	31-01-083694
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccccc3)CCn12	EMOLS-id_20543277,PC-id_45203363,MCULE-9134722987	357.45	VGSMCPMYQGWHHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083695
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccccc1)CC2	ZINC22_12167479,CoCoCo_1333766,PC-id_42441908,CoCoCo_1333767	357.45	VGSMCPMYQGWHHC-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083696
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccccc1)CC2	ZINC22_12167487,CoCoCo_1333764,CoCoCo_1333765,PC-id_42441914	357.45	VGSMCPMYQGWHHC-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083697
COCCN(C(=O)NCc1nnc2n1CCCCC2)Cc1ccccc1	PC-id_87000131	357.45	ZFEZGIGVLVUSRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083698
CO[C@H](C)[C@H](N)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	EMOLS-id_36446179,PC-id_56713025,MCULE-3942032926,ZINC22_67692509	357.45	LDCOSVFELRDTOG-KDOFPFPSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083699
n12CCCCCc1nnc2CNC(=O)C1CCCN(Cc2ccco2)C1	PC-id_72879180,EMOLS-id_46620508,MCULE-7057695456	357.45	GTPULWYHMOYLBD-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-083700
N#CC1(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)CCCC1	EMOLS-id_313781194,ZINC22_585110602	357.45	FVKZJUMOJMAFEK-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-083701
o1c(c(C(=O)NCc2n3CCN(CCc3nn2)C/C(=C/C)/C)cc1C)C	PC-id_42359764	357.45	ILZNUCLTNTYQNI-WLRTZDKTSA-N	00000000101000000101000000000010000000000000000000000000	31-01-083702
o1c(c(C(=O)NCc2n3CCN(CCc3nn2)CC(=CC)C)cc1C)C	PC-id_74799054	357.45	ILZNUCLTNTYQNI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-083703
O(c1c(N(Cc2n3CCCCCc3nn2)C(=O)NCC)cccc1)CC	PC-id_7566060	357.45	OMPKRWADIJMWIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083704
O(c1c(NC(=O)NCCc2n3CCCCCc3nn2)ccc(c1)C)CC	PC-id_60487444	357.45	GFJYAIBVYXUNDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083705
O=C(c1cccn1CCN1CCOCC1)N1CCCc2c(C1)cnn2C	MCULE-3335629580,EMOLS-id_258104124	357.45	QSVQOCAIDAVEHQ-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-083706
O=C(c1coc(n1)C1CCCCC1)NCCc1nnc2n1CCCCC2	EMOLS-id_97927948	357.45	LLILVBAYAGHRAS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083707
O=C(CCc1ccc[nH]1)N1CCc2ncc(CN3CCOCC3)n2CC1	EMOLS-id_313781450,ZINC22_585110654	357.45	VFMNBDQQBODOGM-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-083708
O(C(C(N)C(=O)N1CCn2c(nnc2CCc2ccccc2)CC1)C)C	PC-id_76405182	357.45	LDCOSVFELRDTOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083709
O(CC(=O)NCCc1n2CCN(CCc2nn1)CCC)c1ccccc1	PC-id_56853410	357.45	BFLKYNIYRIMBHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083710
O=C(N1CCCn2c(C1)cc(n2)[C@H](O)C)CCc1n[nH]c2c1CCCC2	PC-id_99974684	357.45	MMBULCBJWPRNLJ-CYBMUJFWSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083711
O=C(N1CCCn2c(C1)cc(n2)[C@@H](O)C)CCc1n[nH]c2c1CCCC2	PC-id_99974685	357.45	MMBULCBJWPRNLJ-ZDUSSCGKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083712
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CCc1occc1	PC-id_51317254	357.45	LDKVYXDMCBTSFV-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-083713
O=C(N(c1ccccn1)CC(C)(C)C)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_319165182	357.45	FBLCYXDNFHGHTP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083714
O=C(N(Cc1n2CCCCCc2nn1)c1ccc(OCC)cc1)NCC	PC-id_7566024	357.45	HWXVPJGGFGYYJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083715
O=C(NCc1n2CCN(CCc2nn1)C/C=C/c1occc1)C(CC)C	PC-id_45929674	357.45	GXVIEOMFRUPLBM-GQCTYLIASA-N	00000000101000000101000000000010000000000000000000000000	31-01-083716
O=C(NCc1n2CCN(CCc2nn1)CC=Cc1occc1)C(CC)C	PC-id_75192937	357.45	GXVIEOMFRUPLBM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-083717
O=C(NCc1nn2CCCN(Cc2c1)CC(C)C)C1C(=O)C=C(N=C1)C	PC-id_77899054	357.45	OUVPUXATDTUQDJ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-083718
O=C(NCc1nn2c(CN(CCC2)C(=O)N(C)C)c1)C1C2CC(C1)C=C2	PC-id_78086353	357.45	LVUKIOLHBJMOOR-UHFFFAOYSA-N	00000011100000000101000000000110000000000000000000000000	31-01-083719
O=C(NCc1nn2c(CN(C(=O)C3CCC3)CCC2)c1)C1C2C1CNC2	PC-id_78081082	357.45	XBWHAZXLZMNUSC-UHFFFAOYSA-N	00101010100000000101010000000010000000000000000000000000	31-01-083720
O=C(NCc1nn2c(CN(C(=O)C3CCC3)CCC2)c1)C1[C@H]2[C@@H]1CNC2	PC-id_70752050	357.45	XBWHAZXLZMNUSC-SJPCQFCGSA-N	00101010100000000101010000000010000000000000000000000000	31-01-083721
O=C(NCc1nnc2n1CCCCC2)[C@@H]1CCCN(Cc2ccco2)C1	PC-id_97196171,ZINC22_95368320	357.45	GTPULWYHMOYLBD-OAHLLOKOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-083722
O=C(NCc1nnc2n1CCCCC2)[C@H]1CCCN(Cc2ccco2)C1	ZINC22_95368319,PC-id_97196170	357.45	GTPULWYHMOYLBD-HNNXBMFYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-083723
O=C(NCCc1n2CCCCCc2nn1)c1[nH]c(c(c1CC)C(=O)C)C	PC-id_52337894	357.45	CJZQCQVBWVUUTN-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-083724
O=C(NCCc1n2CCCCCc2nn1)Nc1c(cc(OCC)cc1)C	PC-id_60489006	357.45	HYMHUAYMCFVAHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083725
O=C(NCCc1n2CCCCCc2nn1)NCCc1ccc(OC)cc1	PC-id_52220600	357.45	RDHOUWVDBSNHSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083726
O=C(NCCc1nnc2n1CCCCC2)N(CCO)Cc1ccccc1	MCULE-7244705924,EMOLS-id_36637905,ZINC22_59292052,PC-id_52651123	357.45	LNWRXMRWQRFDMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083727
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n12CCCCCc1nnc2/C(=C/c1c(n(c(c1)C)c1ccccc1)C)/C#N	PC-id_8275314	357.452	YBOWLIKVRDCGJE-XMHGGMMESA-N	00000000110000110101100000000010000000000000000000000000	31-01-083729
c12CN(CCCn1nc(CN1CCn3c(cc(n3)C)C1)c2)C(=O)NCC	ZINC22_72158920,MCULE-5456547618,PC-id_56898173,EMOLS-id_43123143	357.453	ACGSZSAJAONTDH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083730
c12CN(CCCn1nc(CNc1cc(CC)nc(N(C)C)n1)c2)C(=O)C	ZINC22_82097610,EMOLS-id_44428949,MCULE-3187028334,PC-id_70720438	357.453	NZUYNDZEEBYSIX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083731
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cnn(CC=C)c1	PC-id_70775027,ZINC22_82147236,MCULE-1643029378,EMOLS-id_44448023	357.453	OWHPIKNJHCMHQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083732
c1(C(CC(C)C)NC(=O)c2c3CCCc3[nH]n2)nnc2CCNCCn12	MCULE-3498238948,PC-id_56701409,EMOLS-id_36421834	357.453	BRPDJFVEAPGXKU-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-083733
c1(c(C)cnn1C1CCCC1)NC(=O)NCc1nnc2CCCCCn12	MCULE-7674344823,EMOLS-id_49154865,PC-id_72873753,ZINC22_96141000	357.453	PMSRFTSUEROWEO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-083734
c1(C(NC(=O)CCc2cc3n(CCCNC3)n2)C2CC2)n(CC)ncn1	MCULE-7213633667,EMOLS-id_43082253,PC-id_70719935	357.453	OBDDULHMTSKKMY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083735
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c1(C(=O)NCc2c3CCCCCc3[nH]n2)cn(nn1)CC1CCCNC1	EMOLS-id_32419634,PC-id_50975372,MCULE-2918193056	357.453	ZZDKJNRIOUQMGQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083737
c1(C(=O)N(C)Cc2cnc(nc2)NC)cc2n(CCCN(C(C)C)C2)n1	EMOLS-id_32429876,MCULE-2280662572,PC-id_50980780,ZINC22_65506159	357.453	LVSAIBBOVWHZEU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083738
Cc1cnnn1Cc1nnn2c1CN(C(=O)[C@H]1CC[C@H](C)CC1)CCC2	EMOLS-id_313732313,ZINC22_1565554540	357.453	UWFZAWPSWMYUMW-CTYIDZIISA-N	00000000100010000101000000000010000000000000000000000000	31-01-083739
Cc1nc([C@@H]2CCCN(C(=O)NCc3n[nH]c4c3CCCCC4)C2)n[nH]1	ZINC22_426444974	357.453	PBUZAPGUDLAOIY-CYBMUJFWSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083740
Cc1nc([C@H]2CCCN(C(=O)NCc3n[nH]c4c3CCCCC4)C2)n[nH]1	ZINC22_426445135	357.453	PBUZAPGUDLAOIY-ZDUSSCGKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083741
Cc1ncnc(C(=O)N2CCCn3c(nnc3CN(C)C(C)C)C2)c1C	EMOLS-id_313729747,ZINC22_1147066743	357.453	APXKGXSVHYQJGL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083742
Cc1nn2CCCN(Cc2c1)Cc1nnc(n1C)C1CC(C1)NC(=O)C	PC-id_91774755	357.453	PTUBDVOEBJUJCN-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-083743
Cc1n[nH]c(n1)C1CCCN(C1)C(=O)NCc1n[nH]c2CCCCCc12	PC-id_121499737,EMOLS-id_177401212,MCULE-5873213065	357.453	PBUZAPGUDLAOIY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083744
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CCc2c(C1)[nH]nc2	EMOLS-id_99873011	357.453	VGVMDJXNSRUBLK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083745
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccnc(c1)N(C)C	EMOLS-id_319427480	357.453	JRZYFQJTPDCSGE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083746
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1cncc(c1)N(C)C	EMOLS-id_316732666	357.453	ZFHVGTUQDVWQLL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083747
CC(C)C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1nnc2n1CCNCC2	PC-id_95188597,ZINC22_67446874	357.453	BRPDJFVEAPGXKU-AWEZNQCLSA-N	00000010100000000101000010000010000000000000000000000000	31-01-083748
CC(C)C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1nnc2n1CCNCC2	PC-id_95188598,ZINC22_67446875	357.453	BRPDJFVEAPGXKU-CQSZACIVSA-N	00000010100000000101000010000010000000000000000000000000	31-01-083749
C[C@H](c1nnc2n1CCCCC2)NC(=O)C1(CCNCC1)n1cccn1	PC-id_120938498	357.453	DGAOLPAMMBKHNV-CQSZACIVSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083750
CCn1ncnc1[C@@H](NC(=O)CCc1cc2n(n1)CCCNC2)C1CC1	PC-id_95861720,ZINC22_72409063	357.453	OBDDULHMTSKKMY-KRWDZBQOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083751
CCn1ncnc1[C@H](NC(=O)CCc1cc2n(n1)CCCNC2)C1CC1	ZINC22_72409062,PC-id_95861719	357.453	OBDDULHMTSKKMY-QGZVFWFLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-083752
CC(=O)N1CCCn2nc(CNc3nc(N(C)C)nc(C)c3C)cc2C1	MCULE-7726787956,EMOLS-id_44441609,PC-id_70756282,ZINC22_82126253	357.453	XSTZMZHZMIVCGK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083753
CC(=O)N[C@H]1C[C@@H](C1)c1nnc(CN2CCCn3nc(C)cc3C2)n1C	ZINC22_244778618,MCULE-6722406476,EMOLS-id_55644564	357.453	PTUBDVOEBJUJCN-SHTZXODSSA-N	00001000100000000101100000000010000000000000000000000000	31-01-083754
CN1CCCC1c1n[nH]c(c1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_278262479	357.453	ZGYHFTOXZGHKQA-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-083755
Cn1ccc(CC(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)n1	ZINC22_1565541839,EMOLS-id_313731288	357.453	ABGWNQGAEJCEOQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083756
CN(CC1Cn2c(CN1C(=O)c1cnc3n1CCCCC3)nnc2C)C	EMOLS-id_316092832,MCULE-3031853907	357.453	OBPHKFUCTYBQQF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-083757
n12CCCNCc1cc(CNC(=O)NCc1c3CCCCCc3[nH]n1)n2	PC-id_121496698,ZINC22_426397672,EMOLS-id_177376857,MCULE-3127113081	357.453	YPLHXNILELNETJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083758
O=C(c1ccn(n1)C1CCCNC1)NCCc1nnc2n1CCCCC2	PC-id_120492485	357.453	PMGKUZQWYQAUCM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083759
O=C(N1CCC(CC1)n1ccnc1)NCCc1nnc2n1CCCCC2	EMOLS-id_98522700	357.453	HYCMRXMUYKIWJF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083760
O=C(Nc1nccc(c1)CN(C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_316700857	357.453	NIDGGQXABHFVNB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-083761
O=C(NCc1n[nH]c2c1CCCCC2)c1cn(C[C@@H]2CCCNC2)nn1	PC-id_95218053,ZINC22_67850987	357.453	ZZDKJNRIOUQMGQ-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083762
O=C(NCc1n[nH]c2c1CCCCC2)c1cn(C[C@H]2CCCNC2)nn1	ZINC22_67850990,PC-id_95218054	357.453	ZZDKJNRIOUQMGQ-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083763
CN(C[C@@]1(CCOC1)c1cccc(c1)F)Cc1[nH]nc2c1CCCCC2	CoCoCo_1616873,CoCoCo_1616874,CoCoCo_1616878,CoCoCo_1616877	357.465	CXFAIQCDFNHYBB-OAQYLSRUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083764
CN(C[C@]1(CCOC1)c1cccc(c1)F)Cc1[nH]nc2c1CCCCC2	CoCoCo_1616879,CoCoCo_1616876,CoCoCo_1616880,CoCoCo_1616875	357.465	CXFAIQCDFNHYBB-NRFANRHFSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083765
Fc1cc(C2(CCOC2)CN(Cc2n[nH]c3c2CCCCC3)C)ccc1	PC-id_45247946	357.465	CXFAIQCDFNHYBB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083766
Fc1ccc(cc1)N1CCN(CC1)CCCc1onc2c1CCCCC2	PC-id_59939390,SCHEMBL7959798	357.465	HOKPBKWHSDRWSL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083767
c1(NC(=O)c2ccc(cc2)C)sc2c(CCCCC2)c1C(=O)OCC	CHEMBL1456640,ZINC22_1081675,ChEMBL-DNDi_CHEMBL3261-0783,PC-id_1268398,MCULE-4671479132,EMOLS-id_2761775,CoCoCo_1731152	357.467	YTUBZBOVGOBCNW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083768
c1(NC(=O)c2ccccc2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_1367960,EMOLS-id_2123364,MCULE-3021396972,CoCoCo_735270,ZINC22_1213714	357.467	GRCQMJKFNAQGPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083769
c1(NC(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_3904037,ZINC22_2742203,MCULE-6323768928,CoCoCo_6786254,EMOLS-id_4035489	357.467	QNNZEOLGTVVKTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083770
c1(NC(=O)c2ccccc2)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_5053786,EMOLS-id_4035469,CoCoCo_6829163,ZINC22_6047448,MCULE-2444586910,TIMTEC388485	357.467	PSZPRZWXPATPLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083771
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_742329,MCULE-1790827540,ZINC22_997030,TIMTEC510785,ChEMBL-DNDi_CHEMBL6122822,EMOLS-id_2128108,PC-id_1221574	357.467	VTMYJGPNCMPZNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083772
c1(NC(=O)c2cccc(C)c2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_2368798,PC-id_1268399,CoCoCo_5015572,ZINC22_1081676,MCULE-6252130421	357.467	HSOUTQCPRNCUNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083773
c1(NC(=O)Cc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_1908930,CK1647166,BAS-00486817,MCULE-7144173745,CoCoCo_81770,EMOLS-id_1231009,STOCK1S-80890,ZINC22_2286423	357.467	FGHHIVDCGBVBMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083774
c1(NC(=O)Cc2ccccc2)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_2081765,PC-id_1741052,SPECS-id_AK-968/11987039,TIMTEC573010,EMOLS-id_2096281,MCULE-9983749967,CoCoCo_684372	357.467	YKWFDNXXAHKVSH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083775
c1(NC(=O)CCc2ccc(cc2)C)sc2c(CCCCC2)c1C(=O)O	PC-id_28860489,EMOLS-id_179129726,MCULE-2500221829	357.467	GUSCITWISWUFIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083776
c1(NC(=O)CCc2ccccc2)sc2c(CCCCC2)c1C(=O)OC	TIMTEC451813,EMOLS-id_5406660,CoCoCo_6597961,ZINC22_2773966,MCULE-8341724464,PC-id_2169719,TOSLab_8553	357.467	SLSCSEOQWGWXJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083777
CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(s1)CCCCCC2	MCULE-3755971236,CoCoCo_3889816,PC-id_27863545,ZINC22_18155578,EMOLS-id_23968218	357.467	BEZCYCHYVDHSPN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083778
CN(C)C(=O)[C@H](OC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	CoCoCo_4013968,ZINC22_6842768,PC-id_8095726	357.467	DMVDZQZCCWUNFD-GOSISDBHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083779
CN(C)C(=O)[C@@H](OC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	CoCoCo_4013969,PC-id_8095727,ZINC22_6842770	357.467	DMVDZQZCCWUNFD-SFHVURJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083780
COC(=O)c1ccccc1N(C(=O)c1sc2c(c1)CCCCCC2)C	PC-id_112807317	357.467	NDWDDWHZDLLAAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083781
O=C(C(c1ccccc1)OC(=O)c1cc2c(s1)CCCCC2)N(C)C	MCULE-3026075746,PC-id_16347439,EMOLS-id_3634274	357.467	DMVDZQZCCWUNFD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083782
s1c2CCCCCc2cc1C(=O)Nc1ccc(cc1)C(=O)OC(C)C	PC-id_18208676	357.467	DBSPLVBTBUZKEQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083783
s1c2CCCCCc2cc1C(=O)N(Cc1cc2OCOc2cc1)CC	PC-id_55372040	357.467	BAMMSAFTPXZUKR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-083784
s1c2CCCCCc2cc1C(=O)NCCc1ccc(cc1)C(=O)OC	PC-id_32388536	357.467	XQHOGADNXCWJPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083785
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1ccc(cc1)C)C	PC-id_16509395	357.467	FKVJLSADCQWPRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083786
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(cccc1)C)C	PC-id_45647904	357.467	AEIAGUGNVZTDCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083787
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(c(ccc1)C)C	PC-id_7352085	357.467	YPJWURJMVPRXGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083788
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(c(cc1)C)C	PC-id_7352086	357.467	ANEWNFKTCLLAEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083789
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(cc(c1)C)C	PC-id_7352107	357.467	WDURZPAZUBOTDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083790
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(ccc(c1)C)C	PC-id_7352124	357.467	DIUFVVRWWMXRMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083791
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(cc(cc1)C)C	PC-id_7352125	357.467	PHTDZLMAYAGWHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083792
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(cccc1C)C	PC-id_7650029	357.467	MVYTTYOLWMNCAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083793
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1cc(ccc1)C)C	PC-id_78474826	357.467	RWWSNPUTCAJXIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083794
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(CC)ccc1	PC-id_16509370	357.467	HCRIYZONEGQXQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083795
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(CC)cc1	PC-id_16509482	357.467	VFAXAWCKOJOKIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083796
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(CC)cccc1	PC-id_7352112	357.467	GBFRRRGVMATNMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083797
s1c2CCCCCc2cc1C(=O)OCC(=O)NCc1ccc(cc1)C	PC-id_16509415	357.467	XJQDLEBLIIRJEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083798
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(c1ccccc1)C	PC-id_16509484	357.467	JUKKXCWQCPNTCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083799
s1c2CCCCCc2cc1C(=O)OC(C(=O)NCc1ccccc1)C	PC-id_18080496	357.467	JHSPYIQZUYPKRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083800
s1c2CCCCCc2cc1C(=O)OCC(=O)N(Cc1ccccc1)C	PC-id_55309018	357.467	CZPGJBFHYMQSCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083801
s1c2CCCCCc2cc1C(=O)OCC(=O)NCCc1ccccc1	PC-id_2668984	357.467	KHHQQNRDJRZFTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083802
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@H](c1ccccc1)C	PC-id_7650064	357.467	JUKKXCWQCPNTCE-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083803
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@@H](c1ccccc1)C	PC-id_7650067	357.467	JUKKXCWQCPNTCE-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083804
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(cccc1)C)C	PC-id_31279091	357.467	AEIAGUGNVZTDCY-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083805
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(cccc1)C)C	PC-id_31279093	357.467	AEIAGUGNVZTDCY-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083806
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(cc1)C)C	PC-id_7351961	357.467	FKVJLSADCQWPRT-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083807
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(cc1)C)C	PC-id_7351962	357.467	FKVJLSADCQWPRT-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083808
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1cc(ccc1)C)C	PC-id_7352028	357.467	RWWSNPUTCAJXIO-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083809
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1cc(ccc1)C)C	PC-id_7352029	357.467	RWWSNPUTCAJXIO-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083810
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)NCc1ccccc1)C	PC-id_51610869	357.467	JHSPYIQZUYPKRW-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083811
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)NCc1ccccc1)C	PC-id_51610870	357.467	JHSPYIQZUYPKRW-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083812
s1c2c(CCCCC2)c(c1NC(=O)c1c(cc(cc1)C)C)C(=O)OC	PC-id_4136580	357.467	OHOIVWUKDNHLBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083813
s1c2c(CCCCC2)c(c1NC(=O)c1c(ccc(c1)C)C)C(=O)OC	PC-id_4414652	357.467	JACDRYPVQURKKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083814
s1c2c(CCCCC2)c(c1NC(=O)c1ccccc1)C(=O)OC(C)C	PC-id_4337913	357.467	XJDDLHCMECUICV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083815
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(cc1)C)C(=O)OC	PC-id_41616328	357.467	WWCPQHDRRKUDMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083816
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1c(cccc1)C	PC-id_7618635	357.467	QCXPQAHXZBGQBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083817
s1c2c(CCCCCC2)c(c1NC(=O)c1c(cccc1)C)C(=O)OC	PC-id_3516352	357.467	DQGQNHIUKIIHMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083818
s1c2c(CCCCCC2)c(c1NC(=O)c1ccc(cc1)C)C(=O)OC	PC-id_4159003	357.467	KQKFYWCTSWRULA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083819
s1c2c(CCCCCC2)c(c1NC(=O)c1cc(ccc1)C)C(=O)OC	PC-id_4600889	357.467	QQWDYZFLLGYRPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083820
Cc1cc(F)ccc1N1CCC(CC1)NCc1cc2CNCCCn2n1	EMOLS-id_44446527,ZINC22_82138839,MCULE-7766730318,PC-id_70770684	357.468	IWWAMRLLZOFXIW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083821
Cc1csc(n1)Cc1c2-c(c(c1C)C(=O)c1ccccc1)ccccc2	PC-id_11100416,SCHEMBL8430302	357.468	SZHMHMRUTDBVDM-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-083822
CC(C)OCCCNC(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	MCULE-8610743170,EMOLS-id_317417822	357.468	JHMXKNYODDDITN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083823
CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](C(=O)NCCOC)C1	ZINC22_253493566	357.468	UPKZEHOGWDPLLE-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083824
CCS(=O)(=O)CCN1Cc2cccn2C[C@H](C(=O)NCCOC)C1	ZINC22_253493567	357.468	UPKZEHOGWDPLLE-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083825
CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1	ZINC22_247953374	357.468	CNBVDYQQTACACD-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083826
CCS(=O)(=O)CCN1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1	ZINC22_247953381	357.468	CNBVDYQQTACACD-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083827
CCS(=O)(=O)CCN1CC(Cn2cccc2C1)C(=O)NCCOC	EMOLS-id_50017212	357.468	UPKZEHOGWDPLLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083828
CCS(=O)(=O)CCN1CC(Cn2cccc2C1)OCC(=O)N(C)C	EMOLS-id_50014830	357.468	CNBVDYQQTACACD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083829
c1(NC(=O)c2ccc(cc2)N(C)C)sc2c(CCCCC2)c1C(=O)N	ZINC22_3893414,MCULE-7374096755,EMOLS-id_4948557,CoCoCo_5015399,PC-id_3291901	357.47	RMEVCFNBUPESQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083830
c1(NC(=O)CCC(=O)Nc2ccc(cc2)C)sc2c(CCCCC2)n1	EMOLS-id_334929911,MCULE-2588228233	357.47	DLNAWEARQVOTLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083831
c1(NC(=O)CCC(=O)Nc2ccccc2C)sc2c(CCCCC2)n1	MCULE-5074088368,EMOLS-id_334934015	357.47	HNXAPIHWLAMRSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083832
c1(NC(=O)CCC(=O)Nc2cccc(C)c2)sc2c(CCCCC2)n1	EMOLS-id_334921214,MCULE-5264610530	357.47	DYHIDDNEBLXTDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083833
c1(NC(=O)CCC(=O)NCc2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_334916344,MCULE-4600621139	357.47	IOCONUQCUMDSBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083834
Cc1c(c2ccccc2s1)CN1CCCn2c(cc(n2)C(CO)O)C1	PC-id_90651104	357.47	RFQGIIMGEAMGHX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083835
Cc1ccc(CN2CCCn3cnc(COCc4ccco4)c3C2)s1	EMOLS-id_46148365,PC-id_97381690,ZINC22_96059037	357.47	ARWUHHLMCGMSNV-UHFFFAOYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-083836
Cc1noc(C)c1CCC(=O)Nc1sc2c(c1C#N)CCCCCC2	MCULE-2548134056,EMOLS-id_44539872,ZINC22_79123938,PC-id_71890224	357.47	PAEBLYRVMHMTRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083837
CC(C)CC(=O)N1CCc2nc(C(=O)Nc3ccccc3)sc2CC1	EMOLS-id_44303734,ZINC22_96146883,PC-id_97442407	357.47	FZIDHAIRJVQMBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083838
CC(C)CNC(=O)c1nc2CCN(CCc2s1)C(=O)c1ccccc1	ZINC22_96146971,PC-id_97442495,EMOLS-id_44303910	357.47	TUPANTMQOQKZOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083839
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccco1	CoCoCo_4229106,CoCoCo_4229107,PC-id_41103783,ZINC22_9513846	357.47	BGDYMKDNNGLDQF-ZDUSSCGKSA-N	00000000101000000100000000000010000000000000000000000000	31-01-083840
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccco1	PC-id_41103785,CoCoCo_4229108,ZINC22_9513847,CoCoCo_4229109	357.47	BGDYMKDNNGLDQF-CYBMUJFWSA-N	00000000101000000100000000000010000000000000000000000000	31-01-083841
CCN(CC)C(=O)c1nc2CCN(CCc2s1)C(=O)c1ccccc1	EMOLS-id_44304050,ZINC22_96147040,PC-id_97442564	357.47	XOOJAEQQTLPEOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083842
CCOC(=O)c1ccc(cc1)/C=C/CN1CCc2c(CC1)nc(s2)N	SCHEMBL7305736	357.47	NVYIKBQCNKWWTP-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083843
CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccco1	EMOLS-id_48936686,ZINC22_14094597,CoCoCo_3592240,MCULE-2180954699,PC-id_17443204,CoCoCo_3592239	357.47	IDKYJZXIRWGWBS-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-083844
N#Cc1c(NC(=O)C(N(Cc2ccco2)C)C)sc2c1CCCCC2	EMOLS-id_11855257,PC-id_16385636,MCULE-6940966507	357.47	BGDYMKDNNGLDQF-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-083845
N#Cc1c(NC(=O)C(NC(c2ccco2)C)C)sc2c1CCCCC2	MCULE-4766027458,EMOLS-id_257885126	357.47	BEIFVEFFKFLBLV-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-083846
NCCNC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCCCC2	PC-id_120603414	357.47	LAXISOBSCYOFDL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083847
OC1CN(C(C1)c1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_101847187	357.47	RRWCHCXIUJMRKR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-083848
O=C(c1cc2c(s1)CCCCC2)Nc1ccc(cn1)N1CCOCC1	EMOLS-id_98169430,PC-id_55539917	357.47	JFBKDABMHZOKHZ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-083849
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1cccc(c1)N(C)C	PC-id_35768575,MCULE-7975458357,EMOLS-id_44513239	357.47	COHFFEFXJRRNLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083850
O=C(c1ccccc1N1CCOCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_99007793	357.47	GTICSXDXQCOCCC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083851
O=C(c1nc2c(s1)CCN(CC2)Cc1ccccc1)N1CCOCC1	PC-id_97524719	357.47	JBQWTUYPJMWRTL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-083852
O=C(/C=C/c1cccs1)N1Cc2cncn2C[C@H](COCC2CC2)C1	ZINC22_96206904,PC-id_97475060	357.47	NUKZBGLBVITNQN-SQRWCISFSA-N	00100000100100000101000000000010000000000000000000000000	31-01-083853
O=C(/C=C/c1cccs1)N1Cc2cncn2C[C@@H](COCC2CC2)C1	ZINC22_96206905,PC-id_97475061	357.47	NUKZBGLBVITNQN-JFDDCEBESA-N	00100000100100000101000000000010000000000000000000000000	31-01-083854
O=C(/C=C/c1cccs1)N1CC(COCC2CC2)Cn2cncc2C1	EMOLS-id_49229351	357.47	NUKZBGLBVITNQN-AATRIKPKSA-N	00100000100100000101000000000010000000000000000000000000	31-01-083855
O=C(CCNC(=O)c1cc2c(s1)CCCCC2)NCc1cccnc1	ZINC22_66455454,PC-id_47833053,EMOLS-id_44550044,MCULE-6843593368	357.47	LOGDWHMESBXUEA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-083856
O=C(CCNC(=O)c1cc2c(s1)CCCCCC2)Nc1ccncc1	EMOLS-id_42869972,ZINC22_72280407,MCULE-1488474585,PC-id_72149226	357.47	LHCKWCIMNAIWSZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-083857
OC[C@H](c1nn2c(c1)CN(CCC2)Cc1c(C)sc2c1cccc2)O	PC-id_100065669	357.47	RFQGIIMGEAMGHX-GOSISDBHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083858
OC[C@@H](c1nn2c(c1)CN(CCC2)Cc1c(C)sc2c1cccc2)O	PC-id_100065670	357.47	RFQGIIMGEAMGHX-SFHVURJKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083859
O=C(CN(C(=O)c1ccccc1)C)Nc1sc2c(n1)CCCCCC2	PC-id_86832660	357.47	ATDQTKWGOYMADF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083860
O=C(N1CCOC(C1)c1ccccc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110346894	357.47	JRNZVFMDASRIIA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083861
O=C(N1CCOCC1c1ccccc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_111848500	357.47	SUMOEQOCZULLSC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083862
O=C(Nc1ccc(N2CCOCC2)nc1)c1cc2c(s1)CCCCC2	PC-id_24590482,EMOLS-id_19900503,MCULE-3332151035,CoCoCo_4474284,ZINC22_24904381	357.47	DZRCNOAUMJAFDQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-083863
O=C(Nc1cccnc1N1CCOCC1)c1cc2c(s1)CCCCC2	MCULE-8721208584,ZINC22_56152338,EMOLS-id_33360595,PC-id_51125271	357.47	LGFVIVUJYPJSGX-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-083864
s1c2CCCCCc2cc1C(=O)Nc1cc(NC(=O)NCC)ccc1	PC-id_56154240	357.47	MQWOMZAOSIBTLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083865
s1c2CCCCCc2cc1C(=O)N(CC(=O)Nc1nccc(c1)C)C	PC-id_56398520	357.47	DUBFVUWSRLBWRW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-083866
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(N(C)C)cc1	PC-id_31845840	357.47	NDFGXYTYJJMHTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083867
s1c2CCCCCc2cc1C(=O)NNC(=O)CNc1ccc(cc1)C	PC-id_18209863	357.47	XGKKOXAVJDYYMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083868
s1c2CCCCCc2cc1C(=O)NNC(=O)CN(c1ccccc1)C	PC-id_56113639	357.47	JCEBZDPTUGUGQD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083869
s1c2c(CCCCC2)c(c1NC(=O)c1cc(N(C)C)ccc1)C(=O)N	PC-id_60387991	357.47	GRHQAPVDUGUNNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083870
s1c2CCCCCc2nc1NC(=O)CC(NC(=O)c1ccccc1)C	PC-id_24611866	357.47	QJIFZNJKXRLRRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083871
s1c2CCCCCc2nc1NC(=O)CCNC(=O)Cc1ccccc1	PC-id_24604006	357.47	OLDLDDBRSRPNAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083872
s1c2CCCCCCc2cc1C(=O)NCc1ccc(NC(=O)N)cc1	PC-id_46513139	357.47	DJPJSLLSXMBHJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083873
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(nc(cc1)C)C	PC-id_60494278	357.47	AKBYZPSQVYFOOM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-083874
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1ccc(nc1)C	PC-id_55836472	357.47	UDJBXFIYHDYEMD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-083875
s1c2CCN(CCc2nc1N)CC=Cc1ccc(cc1)C(=O)OCC	PC-id_54133388	357.47	NVYIKBQCNKWWTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083876
CCc1ccc(s1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625615	357.471	CSYPBSNKDUHZTP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-083877
s1c(/N=N/c2c3-c(c(cc(cc3C)C)C)cc2)nc(c2ccccc2)c1	PC-id_12104380	357.471	UEYKJYHSXDUHDD-OCOZRVBESA-N	00000010100000110111100000000010000000000000000000000000	31-01-083878
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c12CN(CCCn1nc(CNS(=O)(=O)CCCC)c2)C(=O)N(C)C	PC-id_72934914,EMOLS-id_46648846,ZINC22_95390350,MCULE-5414628805	357.472	YGJCBSILTICSFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083880
CC(C)[C@@H](C)NC(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_44450139,PC-id_70781117,MCULE-3803449512,ZINC22_85533877	357.472	NIOOKVRCBSUKFH-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083881
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CCCN1CCCn2nc(CNC(=O)[C@H](C)NS(=O)(=O)C)cc2C1	ZINC22_82134042,PC-id_96578431	357.472	HMOPPFBDUOADGW-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083883
CN(C)S(=O)(=O)N1CCCn2nc(CN3CCCOCC3)cc2C1	MCULE-9791335257,EMOLS-id_43153061,ZINC22_72463672,PC-id_56907815	357.472	RWDCLHXLYZXUTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083884
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c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3ccc(C)s3)C2)n1	PC-id_90650583,MCULE-6164804699,EMOLS-id_50537747	357.473	CKLOWBRHQIOWFB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-083886
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c1(NC(=O)CN(C)Cc2cnn(C)c2)sc2c(CCCCC2)c1C#N	EMOLS-id_4035537,TIMTEC539985,PC-id_17378433,CoCoCo_6822254,MCULE-7200794464,CoCoCo_6822253,ZINC22_17073838	357.473	XAFGOMCUDNTVHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083888
Cc1ccc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)s1	ZINC22_220503304,PC-id_100059837	357.473	CKLOWBRHQIOWFB-GOSISDBHSA-N	00000000100100000101000000000010000000000000000000000000	31-01-083889
Cc1ccc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)s1	ZINC22_220503377,PC-id_100059839	357.473	CKLOWBRHQIOWFB-SFHVURJKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-083890
CC(c1[nH]c(=O)c2c(n1)sc(c2C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101741824	357.473	GLLOJGFBMMBPJB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083891
CCC(CSC1=Nc2c(CC(=N1)N)[nH]c(=O)n2Cc1ccccc1)C	PC-id_141953353	357.473	HXHMDUBSENLPBV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-083892
CN(Cc1n[nH]c2c1CCCCC2)Cc1[nH]c(=O)c2c(n1)sc(c2)C	MCULE-2084200682,PC-id_118772952,EMOLS-id_68895821	357.473	ULTZIRZDRJGHCV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083893
CSc1nc(nc(c1C(=O)N1CCCc2c(C1)cnn2C)C)C1CC1	EMOLS-id_101846461	357.473	GGULSLOGUNLPCP-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-083894
N#Cc1c(NC(=O)c2ncn(n2)C(C)(C)C)sc2c1CCCCCC2	EMOLS-id_99769055	357.473	IHHRUNKLPVSYQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083895
O=C(c1cc2c(s1)n(nc2C(C)C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101673044	357.473	OPYHPURHZPJLAK-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-083896
O=C([C@H]1CCCN(C1)c1cnccn1)Nc1nc2c(s1)CCCCC2	CoCoCo_4749841,PC-id_40009724,CoCoCo_4749840	357.473	DRFLEWGNHDLYDT-ZDUSSCGKSA-N	00000000100010100101100000000010000000000000000000000000	31-01-083897
O=C([C@@H]1CCCN(C1)c1cnccn1)Nc1nc2c(s1)CCCCC2	PC-id_40009723,CoCoCo_4749839,CoCoCo_4749838	357.473	DRFLEWGNHDLYDT-CYBMUJFWSA-N	00000000100010100101100000000010000000000000000000000000	31-01-083898
O=C(N1CCC(CC1)c1ccncn1)Nc1nc2c(s1)CCCCC2	EMOLS-id_101845636	357.473	OIWSIFQZDCZGAS-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-083899
O=C(N1CCN(CC1)c1ccccn1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110343599	357.473	IRAPTBNRQPCBME-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-083900
O=C(Nc1cccc(c1)C[NH+](C)C)NCCc1nnc2n1CCCCC2	GD-id_ZINC44277258	357.473	DWWMYHHGTJKHJZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-083901
O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCCN(c2ncccn2)C1	ZINC22_27610579	357.473	YIUCLSGXMBLGCI-CYBMUJFWSA-N	00000000100010100101100000000010000000000000000000000000	31-01-083902
O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCN(c2ncccn2)C1	ZINC22_27610582	357.473	YIUCLSGXMBLGCI-ZDUSSCGKSA-N	00000000100010100101100000000010000000000000000000000000	31-01-083903
O=C(Nc1nc2c(s1)CCCCC2)NC1CCN(C1)c1ccccn1	EMOLS-id_97859291	357.473	YKVDRZZMMKVHOP-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-083904
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cccnc1)CC(C)C)C	PC-id_74499291	357.473	CXJVDMDBYKZJGZ-UHFFFAOYSA-O	00000000100000101101000000000010000000000000000000000000	31-01-083905
O=C(NCc1nnc2n1CCCCC2)N1CC=C(c2cccs2)CC1	ZINC22_117957445,EMOLS-id_189673803,MCULE-1362384425	357.473	XXWUYDOOQAHHBP-UHFFFAOYSA-N	00000000100111000101100000000010000000000000000000000000	31-01-083906
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s1c2CCCCCc2nc1NC(=O)C1CCCN(C1)c1nccnc1	PC-id_42950749	357.473	DRFLEWGNHDLYDT-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-083909
S(CC1NC(NC(=O)C1)c1ccccc1)c1n2CCCCCc2nn1	PC-id_75797520	357.473	VWYLTAIZTHOIBU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-083910
N#Cc1c(C)nsc1N1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_110755621	357.476	RKUIZGNFZYAGEY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083911
S(c1n2CCCCCc2nn1)c1nc(nc2c1n(nc2C)C)C(C)C	PC-id_52169422	357.476	JLAPLJHPXVOOGY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083912
C1CCCc2c(CC1)cc(s2)C(=O)NS(=O)(=O)C1CCCOC1	MCULE-7151286437,EMOLS-id_111834126,PC-id_136521843	357.488	WXZFNRYGMSNEEI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-083913
CCOC(=O)Cc1sc(c2c1CCCOCCC/C/2=NO)SC	SCHEMBL19545444	357.488	ZQACOZSVLBXFQZ-SFQUDFHCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-083914
COC(=O)C1CCC(CC1)S(=O)(=O)N1CCCc2c(C1)ccs2	EMOLS-id_258169623,MCULE-2980859566	357.488	ZDHAHCASZGHKPV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-083915
O=C(c1sc2c(c1)CCCCCC2)NCC1(O)CCS(=O)(=O)C1	EMOLS-id_111997423	357.488	QJQQLVOPTGSXJN-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-083916
O=C(c1sc2c(c1)CCCCCC2)NCC1OCCS(=O)(=O)C1	EMOLS-id_98559415	357.488	NEGLCSGXRZSIRN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083917
O=C(c1sc2c(c1)CCCCCC2)NS(=O)(=O)CC1CCCO1	EMOLS-id_111879397	357.488	WGNLYZQQGXWKFO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-083918
O=C(NS(=O)(=O)[C@@H]1CCCOC1)c1cc2c(s1)CCCCCC2	ZINC22_408409340	357.488	WXZFNRYGMSNEEI-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-083919
O=C(NS(=O)(=O)[C@H]1CCCOC1)c1cc2c(s1)CCCCCC2	ZINC22_408409341	357.488	WXZFNRYGMSNEEI-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-083920
s1c2c(CCCCC2)c(c1NC(=O)CSCCOC)C(=O)OC	PC-id_52638574	357.488	VENHLPIOBLSVFE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-083921
CCOC(=O)c1c2NCC(CC(n2nc1C)(C)C)/C=C/C=CC(=C/C)C	PC-id_137203653,SCHEMBL18867412	357.49	LKCIQHMAPLRVJZ-YVDIIBFTSA-N	00000000100000000101000000000010000000000000000000000000	31-01-083922
O=C(CC1=CCCCC1)N1Cc2cncn2C[C@H](COCC2CCC2)C1	PC-id_97475878,ZINC22_96207751	357.49	NJCPVINBRKQAHL-LJQANCHMSA-N	00001000100011000101000000000010000000000000000000000000	31-01-083923
O=C(CC1=CCCCC1)N1Cc2cncn2C[C@@H](COCC2CCC2)C1	ZINC22_96207752,PC-id_97475879	357.49	NJCPVINBRKQAHL-IBGZPJMESA-N	00001000100011000101000000000010000000000000000000000000	31-01-083924
O=C(CC1=CCCCC1)N1CC(COCC2CCC2)Cn2cncc2C1	EMOLS-id_49230607	357.49	NJCPVINBRKQAHL-UHFFFAOYSA-N	00001000100011000101000000000010000000000000000000000000	31-01-083925
CN(C1CCS(=O)(=O)C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111889949	357.491	ZFISCABHJJNZPM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083926
CNS(=O)(=O)N1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_110355113	357.491	SLJLOQQHZQGKGD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083927
CS(=O)(=O)N1CCC(C(=O)Nc2nc3c(s2)CCCCC3)CC1	EMOLS-id_30242452,PC-id_45864719,ZINC22_40034672,MCULE-6143018626	357.491	HHITWSSPKWZRML-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083928
O=C(c1cc2c(s1)CCCCC2)NC1CCN(CC1)S(=O)(=O)N	EMOLS-id_316696165	357.491	ZJXWUXLBQWOZNI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-083929
O=C(C1(CCNCC1)S(=O)(=O)C)Nc1nc2c(s1)CCCCC2	MCULE-3748369963,EMOLS-id_302983835,PC-id_121717744	357.491	KGDBPOMQQPJUSG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083930
O=C(c1sc2c(c1)CCCCCC2)N1CCN(CC1)S(=O)(=O)N	EMOLS-id_110322295	357.491	GXMPJYQCOCTETP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083931
O=C(CN(C1CCS(=O)(=O)C1)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_98818760	357.491	SDOKTYPNAPBEQN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083932
O=C(NC1CCCS(=O)(=O)C1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098535	357.491	IUSSYZPRBUDZJS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083933
O=C(NC1(C)CCS(=O)(=O)C1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890204	357.491	AAJIUCOKPQJYME-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083934
O=C(Nc1nc2c(s1)CCCCC2)NCC1CCCCS1(=O)=O	EMOLS-id_99313887	357.491	RRJWRNBBHSJNJJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083935
O=C(Nc1sc2c(n1)CCCCCC2)CN1CCS(=O)(=O)CC1	EMOLS-id_110644582	357.491	IFMDWFMAFOJNHK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083936
O=C(Nc1sc2c(n1)CCCCCC2)NC1CCS(=O)(=O)CC1	EMOLS-id_111889898	357.491	UOJDDJYXJMNMGM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-083937
O=C(Nc1sc2c(n1)CCCCCC2)NCC1CCCS1(=O)=O	EMOLS-id_101074513	357.491	UFLIVBPNQCZXIG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083938
O=C(Nc1sc2c(n1)CCCCCC2)NCC1CCS(=O)(=O)C1	EMOLS-id_111889952	357.491	ZGESPRPBUPNNPT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083939
CC1(CCC=CC1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_313731287	357.493	SDJOQGDUUWRENW-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-083940
Cc1c(CN2Cc3ccnn3CCC2COCC2CCCC2)cnn1C	EMOLS-id_313821986	357.493	HOOVEOKVWIHBDB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083941
Cc1c(CN2Cc3ccnn3CC[C@H]2COCC2CCCC2)cnn1C	ZINC22_585097115	357.493	HOOVEOKVWIHBDB-FQEVSTJZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083942
Cc1c(CN2Cc3ccnn3CC[C@@H]2COCC2CCCC2)cnn1C	ZINC22_585097118	357.493	HOOVEOKVWIHBDB-HXUWFJFHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-083943
Cc1c(C(=O)CSc2nnc3n2CCCCC3)sc2ccccc12	MCULE-7034270362,EMOLS-id_13504146,CoCoCo_4311471,PC-id_17461441,ZINC22_14182769	357.493	ZNFDGCLAADXBAO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083944
C[C@@]1(C(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)CC=CCC1	ZINC22_1565544161	357.493	SDJOQGDUUWRENW-HXUWFJFHSA-N	00000000100011000101000000000010000000000000000000000000	31-01-083945
C[C@]1(C(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)CC=CCC1	ZINC22_1614948287	357.493	SDJOQGDUUWRENW-FQEVSTJZSA-N	00000000100011000101000000000010000000000000000000000000	31-01-083946
NCC1CCC(CC1)C(=O)N1C/C(=CC(=C/C)C)/Nc2c(C1)cnn2C	PC-id_143188839	357.493	WMHKSPWQDGZASP-DSTLZYOISA-N	00000000100010000101000000000010000000000000000000000000	31-01-083947
N#Cc1c(NC(=O)CSc2ccccc2N)sc2c1CCCCC2	MCULE-7300547133,PC-id_4099014	357.493	PHDLNWYWQHPKAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083948
O=C(C1CC2CC1CC2)N1CCN(CC1)Cc1nnc2n1CCCCC2	PC-id_51111879,EMOLS-id_33341051,MCULE-4457395707	357.493	OALLRHATCFYYGZ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-083949
O=C(C1CCC1)NCCc1nnc2n1CCN(CC2)CC1CCC=CC1	ChEMBL-DNDi_CHEMBL24378488,PC-id_45189343	357.493	YXNLRAHCWWFOHC-UHFFFAOYSA-N	00001000100011000101000000000010000000000000000000000000	31-01-083950
O=C(C1CCC1)NCCc1nnc2n1CCN(CC2)C[C@@H]1CCC=CC1	CoCoCo_1245240,CoCoCo_1245242	357.493	YXNLRAHCWWFOHC-INIZCTEOSA-N	00001000100011000101000000000010000000000000000000000000	31-01-083951
O=C(C1CCC1)NCCc1nnc2n1CCN(CC2)C[C@H]1CCC=CC1	CoCoCo_1245241,CoCoCo_1245239	357.493	YXNLRAHCWWFOHC-MRXNPFEDSA-N	00001000100011000101000000000010000000000000000000000000	31-01-083952
O=C(CCc1nc2ccccc2s1)Nc1nc2CCCCCc2s1	EMOLS-id_15277488,ZINC22_12828498,PC-id_17488710,CoCoCo_4546097,MCULE-8348614750	357.493	DHHDXIOQAHVDRE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083953
O=C([C@H]1CCCN(C1)c1cccc[nH+]1)Nc1nc2c(s1)CCCCC2	GD-id_ZINC47414983	357.493	CSAOMOMDTLFFEJ-AWEZNQCLSA-O	00000000100010101101100000000010000000000000000000000000	31-01-083954
O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_98750951,ZINC22_106523681	357.493	OALLRHATCFYYGZ-YESZJQIVSA-N	00000010100010000101000000000110000000000000000000000000	31-01-083955
O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_98750952,ZINC22_106523682	357.493	OALLRHATCFYYGZ-ULQDDVLXSA-N	00000010100010000101000000000110000000000000000000000000	31-01-083956
O/C(=C/Sc1nnc2n1CCCCC2)/c1sc2c(c1C)cccc2	CoCoCo_4311473,CoCoCo_4311474	357.493	LPZGDGINXNUFKD-SDNWHVSQSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083957
O/C(=CSc1nnc2n1CCCCC2)/c1sc2c(c1C)cccc2	CoCoCo_4311475,CoCoCo_4311472	357.493	LPZGDGINXNUFKD-KAMYIIQDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083958
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)[C@H]1[C@H]2C[C@@H](C1)CC2	PC-id_52373987	357.493	OALLRHATCFYYGZ-GVDBMIGSSA-N	00000010100010000101000000000110000000000000000000000000	31-01-083959
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)[C@@H]1[C@H]2C[C@@H](C1)CC2	PC-id_52373988	357.493	OALLRHATCFYYGZ-BBWFWOEESA-N	00000010100010000101000000000110000000000000000000000000	31-01-083960
s1c2CCCCCCc2c(c1NC(=O)CSc1ncccc1)C#N	PC-id_19727877	357.493	GPLJMJWTTWIJBH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-083961
c1ccc(Nc2nc(CSc3nnc4n3CCCCC4)cs2)cc1	CoCoCo_3081516,ZINC22_8345213,EMOLS-id_13410108,PC-id_9466821,MCULE-6484823398	357.496	LODNJDZHDGLFMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083962
c1(N(C)C)nc(CC)cc(NCc2cc3n(CCCN(CCC)C3)n2)n1	EMOLS-id_44447421,MCULE-7530524915,PC-id_70773365,ZINC22_82146102	357.496	JRPIQUQBQPOOOZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083963
c1(N(C)C)nc(C)cc(NCc2cc3n(CCCN(CC(C)C)C3)n2)n1	MCULE-2504622321,ZINC22_82098260,EMOLS-id_44429909,PC-id_70723057	357.496	KOIRGHHFSIQBCX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-083964
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CCNC(=NCc1ccn(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_112075580	357.496	IUIPAXYJEBZPLY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-083966
CCNC(=NCCCc1nnc2n1CCCCC2)NCCn1cccc1	PC-id_109530621	357.496	LZWDBPDCOXAGPO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-083967
CN=C(N(Cc1cccn1C)C)NCCCc1nnc2n1CCCCC2	PC-id_109806340	357.496	HWPHNBVBMTVVOI-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-083968
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Nc1nc2c(s1)CCN(CC2)CC=Cc1cccc2c1sc(n2)N	SCHEMBL7293754,PC-id_54544781	357.496	ZFTOVQSOFPNNCO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083972
s1c2CCN(CCc2nc1N)CC=Cc1c2nc(sc2ccc1)N	PC-id_54328632	357.496	SWSZWYOUYBOEFH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083973
s1c2CCN(CCc2nc1N)C/C=C/c1c2sc(nc2ccc1)N	PC-id_19985881	357.496	ZFTOVQSOFPNNCO-DUXPYHPUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083974
s1c2CCN(CCc2nc1N)CC=Cc1cc2nc(sc2cc1)N	PC-id_53963705	357.496	JMRWDVCKQCJTQV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083975
s1c2CCN(CCc2nc1N)CC=Cc1cc2sc(nc2cc1)N	PC-id_54099959	357.496	MZWBIAPYJBRNDE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-083976
CCCC(Oc1ccc(cc1)C(=O)N1CCCCc2c1ccs2)(C)C	SCHEMBL6990649,PC-id_69954419	357.51	MSFYOTFWPHTHFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083977
s1c2CCCCCc2cc1C(=O)Nc1cc(C(C)(C)C)ccc1OC	PC-id_7936017	357.51	LMXYRMCHTDKVNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-083978
c1(cc2c(CCCCC2)s1)C(=O)N1CCC(CC1)c1nccn1CC	PC-id_72915121,ZINC22_95523583,EMOLS-id_48643256,MCULE-1297429638	357.513	QBEIRXZXSMMHEG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-083979
c1(C(O)C2CCC2)cc2n(CCCN(Cc3ccccc3SC)C2)n1	EMOLS-id_50541313,PC-id_90651557,MCULE-4588248579	357.513	FEKYLZILRCYNBB-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-083980
c1(NC(=O)CC2(CCCCC2)n2cccc2)sc2c(CCCCC2)n1	EMOLS-id_323254357,MCULE-5309410137	357.513	CWQQHYOIZFIHSB-UHFFFAOYSA-N	00000000110010000101100000000010000000000000000000000000	31-01-083981
c1(NC(=O)Nc2ccccc2)sc2c(CCCCCCCCCC2)n1	ZINC22_2251736,PC-id_1879879,MCULE-8007472814,STOCK3S-84748,EMOLS-id_4537052	357.513	JHAIWGHFQINGFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083982
Cc1ccsc1CN1Cc2cccn2C[C@@H](CC(=O)NCC2CC2)C1	ZINC22_585099001	357.513	AJAMKVMODURMQO-KRWDZBQOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-083983
Cc1ccsc1CN1Cc2cccn2C[C@H](CC(=O)NCC2CC2)C1	ZINC22_585099002	357.513	AJAMKVMODURMQO-QGZVFWFLSA-N	00100000100100000101000000000010000000000000000000000000	31-01-083984
Cc1ccsc1CN1CC(CC(=O)NCC2CC2)Cn2cccc2C1	EMOLS-id_313813795	357.513	AJAMKVMODURMQO-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-083985
CC(=C/C=C(/C1=NC(=CCc2c1c(N)c(s2)C(=O)N)C(C)(C)C)C)C	SCHEMBL13664956	357.513	RGFGWMHWOXWZGM-XYOKQWHBSA-N	00000000100000000110000000000010000000000000000000000000	31-01-083986
CC(=CC=C(C)C1=NC(=CCc2c1c(c(s2)C(=O)N)N)C(C)(C)C)C	PC-id_89142929	357.513	RGFGWMHWOXWZGM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-083987
CC(COc1ccc(cc1)/C=C/CN1CCc2c(CC1)nc(s2)N)C	SCHEMBL7284982,PC-id_19985722	357.513	MLWHZCHLAOBGDD-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083988
C[C@H](Sc1nnc2n1CCCCC2)C(=O)c1ccc(C(C)(C)C)cc1	PC-id_7877122,ZINC22_6097773,CoCoCo_3081849	357.513	ZIZCKWXSYIACTO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083989
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)c1ccc(C(C)(C)C)cc1	ZINC22_6097774,PC-id_7877123,CoCoCo_3081848	357.513	ZIZCKWXSYIACTO-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083990
CN(Cc1n[nH]c2c1CCCCC2)C(=O)CCSCc1ccccc1	PC-id_135101535	357.513	WSQYKDHUWLHXEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083991
CSc1ccccc1CN1CCCn2nc([C@H](O)C3CCC3)cc2C1	ZINC22_221216282,PC-id_100066052	357.513	FEKYLZILRCYNBB-HXUWFJFHSA-N	00001000100000110101000000000010000000000000000000000000	31-01-083992
CSc1ccccc1CN1CCCn2nc([C@@H](O)C3CCC3)cc2C1	ZINC22_221216337,PC-id_100066053	357.513	FEKYLZILRCYNBB-FQEVSTJZSA-N	00001000100000110101000000000010000000000000000000000000	31-01-083993
N#Cc1c(NC(=O)C2CCN(CC2)C2CC2)sc2c1CCCCCC2	EMOLS-id_101258770	357.513	LVDRAZXVWAZYDI-UHFFFAOYSA-N	00100000100010000100100000000010000000000000000000000000	31-01-083994
O/C(=C(/Sc1nnc2n1CCCCC2)C)/c1ccc(cc1)C(C)(C)C	CoCoCo_3081851,CoCoCo_3081852	357.513	PPNSPMNPTCVBAC-NBVRZTHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083995
O/C(=C(Sc1nnc2n1CCCCC2)/C)/c1ccc(cc1)C(C)(C)C	CoCoCo_3081853,CoCoCo_3081850	357.513	PPNSPMNPTCVBAC-JXAWBTAJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083996
O=C(C(Sc1nnc2n1CCCCC2)C)c1ccc(cc1)C(C)(C)C	EMOLS-id_3584809,PC-id_16277672,MCULE-7300243525	357.513	ZIZCKWXSYIACTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083997
s1c2c(CCCCC2)c(c1NC(=O)CCN(C1CC1)CC1CC1)C#N	PC-id_56496017	357.513	JCMKRMXVUVZETD-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-083998
s1c2CCN(CCc2nc1N)CC=Cc1ccc(OCC(C)C)cc1	PC-id_54079193	357.513	MLWHZCHLAOBGDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-083999
S(=O)(=O)(NC(c1n2CCN(CCc2nn1)CCC(C)C)C(C)C)C	PC-id_45167549	357.515	HGCHSGDHOUONDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084000
CCCCN1CCC(CC1)COc1nc2=CC=C(CC=c2n1C(C)C)C	PC-id_142023489	357.533	JETWEEONTUUFAD-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-084001
S=c1n(nc2n1CCCCC2)C[NH+]1CCC(CC1)Cc1ccccc1	PC-id_8144746	357.536	KUUAREVCHFPJCM-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-084002
N#Cc1c(/N=C/NCC2(C)CCCC(C2)(C)C)sc2c1CCCCC2	SCHEMBL13459277,PC-id_70909676	357.556	ZUMIVVFDUGJYEI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-084003
s1c2CCCCCc2cc1C(=O)NNC(=S)NCCCSC	PC-id_8726814	357.558	FOUAHTZRDKKDJA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084004
N#CC(=c1cc(Cl)cc2-c(c1)c(=C(C#N)C#N)c(c2Cl)Cl)C#N	PC-id_101068673	357.581	QVDCYZRVSOMGLG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084005
ClC(Cl)(Cl)C(=O)c1c2-c(cc(C(C)C)ccc2C)c(c1)C=O	SCHEMBL12743763,PC-id_10926413	357.659	LRXWYANHISWVFH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084006
c1(C(=O)Nc2ccc(c(C(F)(F)F)c2)Cl)c2CCCCCc2[nH]n1	EMOLS-id_335145510,MCULE-8433703896	357.758	LMARQYRMZNRAQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084007
c1(C(=O)Nc2c(Cl)ccc(c2)C(F)(F)F)c2CCCCCc2[nH]n1	MCULE-8521778961,EMOLS-id_335093556	357.758	BDYNRLBEFBGQIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084008
Fc1cc(Cl)ccc1NS(=O)(=O)c1cc2C(=O)NCCCn2c1	EMOLS-id_33086352,PC-id_53182811,MCULE-8001341788	357.788	GVYANKIIEAHLBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084009
Fc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)cc1Cl	MCULE-2850922401,EMOLS-id_33086358,PC-id_53182813	357.788	QNFGRQVVDDMPMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084010
Fc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c(Cl)c1	MCULE-4790676492,EMOLS-id_33086324,PC-id_53182802	357.788	UWNZKDHBZVSCIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084011
c1(C(=O)Nc2onc(c3cccc(Cl)c3)c2)c2CCCCCc2on1	CoCoCo_2401448,EMOLS-id_16234877,TIMTEC433959,PC-id_17254386,MCULE-8609167780,ZINC22_7000107	357.791	RRZLQPBUQAOKCS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084012
c1(C(=O)Nc2c(Cl)ccc(c2)n2cnnn2)c2CCCCCc2[nH]n1	MCULE-4334391786,EMOLS-id_323252666	357.798	ADRHTPDPJSMZGQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084013
Clc1cccc(n1)C(=O)N1CCc2nnc(Cn3cccn3)n2CC1	EMOLS-id_313725402,ZINC22_2055713442	357.798	PZDYHKNCLYFTFV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084014
Clc1ccc(cc1F)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950857	357.831	XNFONUZULRJZJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084015
Fc1ccc(cc1Cl)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948646	357.831	YGLYXDZZKLOQDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084016
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1ccc(cc1)Cl	PC-id_90625586	357.836	RWDYACKCBBEHTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084017
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1cc(ccc1)Cl	PC-id_90625634	357.836	WRKQNGGGZJKYSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084018
c1(C(=O)NCc2cc3n(CCCNC3)n2)cc2c(cc(cc2)Cl)n1C	MCULE-4930303497,ZINC22_97155634,PC-id_74230888,EMOLS-id_49640552	357.837	YZMUKBWOOLXWKW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-084019
c1(C(=O)NCCn2c3ccc(cc3nc2)Cl)c2CCCCCc2[nH]n1	MCULE-6719777788,EMOLS-id_323251901	357.837	UIHMLGGALVCPEY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084020
Clc1cc2[nH]c(nc2cc1)CN(C(=O)c1n[nH]c2c1CCCCC2)C	PC-id_46964838	357.837	CPJASEWUXMVOPF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084021
c1(c(Cl)nc2sccn12)S(=O)(=O)N1CCCn2cncc2C1	PC-id_56913101,MCULE-4538650154,EMOLS-id_43168668,ZINC22_72167456	357.839	HBRCHHRMRHVVCU-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-084022
CCCC1C=CC=c2c(=C1)ccn2Cc1c(F)cc(cc1Cl)C(=N)N	PC-id_145324374	357.852	APHHUJNHBYQMKL-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-084023
c1(c(C)nn(C)c1Cl)S(=O)(=O)NCc1c2CCCCCc2[nH]n1	MCULE-7594371708,EMOLS-id_222758382,ZINC22_670441135	357.859	COHMITAJTQLGAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084024
Clc1ccc(cc1)n1ncc(c1)C[NH2+]Cc1nnc2n1CCCCC2	GD-id_ZINC48682954	357.86	TXDRKWXFPINKGU-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-084025
ClCCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC(C)C	PC-id_3341185	357.895	HJFPINDYHVINRU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084026
ClCCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCCC	PC-id_4392455	357.895	WAHRAHZCMSBHJG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084027
ClCCCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_3469173	357.895	HPCSUMAGIWAZFB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084028
CC1=C(C2=CC=CC=CC2=C1C(=O)O)C(=O)C3=CC(=CC(=C3)Cl)Cl	PC-id_153789379	358.016	VWVCPKZDQNLJGO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084029
Brc1c2-c(c(Br)c1)ccc(cc2)C(=O)OCC	CT-id_2205140,PC-id_11508729	358.025	UBGMTKYRDBHNOV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084030
Brc1c2-c(c(c1CBr)C(=O)OC)ccccc2	PC-id_11473802	358.025	JMRFVHRQERTSPA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084031
C1=CC=C(C=C1)COC(=O)NC2C=CC(=O)N3C(=CC=C3S2)C(=O)O	PC-id_154288531	358.062	HPFHCOOUPGLYRG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-084032
[se]1c2CCCCCCc2[se]c1=[SeH]	PC-id_10808231	358.08	VYBMDPXWWSYEHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084033
CC(C1=CC2=C(C=C1)OCO2)N3CCC4=C(CC3)SC(=N4)CC(=O)C	PC-id_165077844	358.135	UPSIOTBTHPBYJL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084034
Brc1c([Si](C)(C)C)c(Br)c2-c1ccccc2	PC-id_11175760	358.144	JWOSPMJBJCNLRE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084035
CC(C)(C)OC(=O)NC1=C(C2=C(S1)CCNCC2)CC3=CC=CC=C3	PC-id_154351012	358.171	SYUPIUYTNVPRQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084036
Ic1c2-c(c(c1)C(=O)c1ccccc1)ccccc2	PC-id_71422843	358.173	ZMIAKCOIHOZAHX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084037
ClCCN(C(=O)NCCn1c(=O)nc2-c1ccc(cc2)Cl)N=O	SCHEMBL11700683	358.18	KIAMYTWYBYFTIK-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-084038
CO[C@H]1C[C@H](N(C1)C(=O)C2=CN=C3N2CCCCC3)CN4C=CC(=N4)N	MCULE-2705224838,EMOLS-id_317326095,PC-id_154767986	358.212	QSQXKOYRTZOUKG-KBPBESRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084039
CC1=C(C=CC(=C1)F)C[C@H](C)NC(=O)N2CC3=C(CC(C2)(C)C)NN=C3	ZINC22_663214423,PC-id_164630152	358.217	IPIDNOBUDQJZHM-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084040
CCC(C)(C)C1=C(CC(=C(C2=NSN=C12)C(C)(C)C)N=CC)N=CC	PC-id_153548157	358.219	NGGMIGQTMVDCEO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-084041
Brc1ccc(C(=O)c2n3c(CCCCC3)c(c2N)C#N)cc1	PC-id_24130531	358.232	XTGUIELYLMQRTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084042
O=C(c1ncsc1Br)Nc1nc2c(s1)CCCCC2	PC-id_121561421	358.277	YPLMJEWVENEPMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084043
Clc1cccc(Cl)c1OCCSc1nnc2n1CCCCC2	CoCoCo_3082073,EMOLS-id_29945645,ZINC22_40159045,MCULE-6227922193,PC-id_45838190	358.286	HDPHXRYGHZRROA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084044
CCOC(=O)N1CCc2c(onc2OS(=O)(=O)C(F)(F)F)CC1	SCHEMBL20547142,EMOLS-id_324124663,MCULE-8751109820,PC-id_135367813	358.291	BPXDAJMSHSJXGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084045
BrCC1COCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_116446929	358.294	QSCKXYFDUUWPEY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084046
BrCC1OCCN(C1)C(=O)c1sc2c(CCCCC2)c1	PC-id_81210960	358.294	BZFXRVGZNCZDLT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084047
COC(=O)c1ccc2-c(cc1)c(cc2)C(=O)c1ccc(cc1)C(F)(F)F	PC-id_145987299	358.311	RYWHVJMSFXMPSE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084048
O=C(c1c(C)c(c2-c1ccccc2)C(=O)O)c1ccc(cc1)C(F)(F)F	PC-id_139771655	358.311	UBFQXCCQOILDPX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084049
OC(=O)Cc1ccc2-c(cc1)c(cc2)C(=O)c1ccc(cc1)C(F)(F)F	PC-id_145987756	358.311	KKUIVAXGXIVEEX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084050
Cc1cc(nn1CC(=O)NC1CCc2n[nH]c(=O)n2CC1)C(F)(F)F	MCULE-4399691688,EMOLS-id_50586493,PC-id_91922655	358.319	QBTKUIZAXLFLKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084051
n12CCN(CCc1nn(C)c2=O)C(=O)Cn1c(C)cc(C(F)(F)F)n1	MCULE-3751630787,EMOLS-id_50589939,PC-id_91922397	358.319	ZFDBIYWNDCULFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084052
Cc1ccccc2-c1c(c(c2C)C(C)C)S(=O)(=O)OS(=O)(=O)O	PC-id_91337597	358.43	GMGBRSOYYDOIGH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084255
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)NCc1onc(n1)C(F)(F)F	EMOLS-id_319835577,MCULE-4014938467	358.319	DZFRNNLINHOJKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084053
O=C(Nc1cc(ccc1F)n1cnnn1)NC1CCn2c(CC1)nnn2	PC-id_145897862,EMOLS-id_320400478,MCULE-3085227694	358.334	AODGOXKWMHFQKM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084054
O=C(Nc1cc(n2cnnn2)ccc1F)N[C@@H]1CCc2nnnn2CC1	ZINC22_421051619	358.334	AODGOXKWMHFQKM-SECBINFHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084055
O=C(Nc1cc(n2cnnn2)ccc1F)N[C@H]1CCc2nnnn2CC1	ZINC22_421051620	358.334	AODGOXKWMHFQKM-VIFPVBQESA-N	00000000100000110101100000000010000000000000000000000000	31-01-084056
BrCCC(C(C)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_106355293	358.337	NSRFRSOQAVDPHS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084057
BrCCCCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_107847761	358.337	PDIGSDQWMXFPHQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084058
BrCC(CCCNC(=O)c1cc2c(s1)CCCCC2)C	PC-id_106157974	358.337	IEISQNWSBXKESO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084059
BrCCCCCN(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_107206051	358.337	FNXDKJCALNTRBG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084060
BrCCC(CNC(=O)c1cc2c(s1)CCCCC2)(C)C	PC-id_106143849	358.337	LVXUUKHTNWURJS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084061
BrCCC(CNC(=O)c1cc2c(s1)CCCCC2)CC	PC-id_114317625	358.337	YPBZVQGTHPYUMV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084062
BrCCCN(C(C)C)C(=O)c1sc2c(CCCCC2)c1	PC-id_80662696	358.337	ANHMRAOEBBYKOJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084063
BrCCC(NC(=O)c1cc2c(s1)CCCCC2)(CC)C	PC-id_106169570	358.337	YSEFGEUFTHCDQS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084064
BrCCN(CCCC)C(=O)c1sc2CCCCCc2c1	PC-id_80659576	358.337	NKQLMIYAEQJBCA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084065
BrCC(NC(=O)c1cc2c(s1)CCCCC2)CC(C)C	PC-id_114311638	358.337	NHNQMYNRHIVVRV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084066
CC(CC(CNC(=O)c1cc2c(s1)CCCCC2)Br)C	PC-id_107157922	358.337	WJWBJWNXDPKCHR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084067
CCC(NC(=O)c1cc2c(s1)CCCCC2)(CBr)CC	PC-id_114315184	358.337	GTGJOWKFHNNRAG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084068
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc2n1CCCCC2	PC-id_51284283,ZINC22_71814394	358.339	MYPSVYRNEMFCQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084069
BrCC1(CCCCC1)CSc1n2CCCCCc2nn1	PC-id_65001803	358.34	KAJQITQZAJDVSV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084070
o1c(C(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)cc2c1ccc(c2)C=O	PC-id_10904424	358.344	SSKAJRHGAREALJ-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-084071
CCOC(=O)c1c2-c(ccc(cc2)NC=O)c(c1NC=O)C(=O)OCC	PC-id_86230136	358.345	NCZCDWVVCOWOFY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084072
O=C(C1CCn2c(CC1)nnc2)Nc1[nH]nc(c1)c1cccc(c1F)F	MCULE-7580225115,EMOLS-id_320106364	358.345	DLTZQLYWHAZGKN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084073
C1C(Cn2c(cc(n2)C(=O)NCCc2cc3c(cc2)OCO3)C(=O)N1)O	PC-id_135119998	358.349	BDLTYQMLYUNLDR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084074
c1(C(=O)N)cn2c(CCN(CC2)C(=O)c2cc(O)cc(C(=O)OC)c2)n1	ZINC22_1875248576,MCULE-6467737510,EMOLS-id_331138854	358.349	YRBDTHRPOKOMMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084075
O(C1(NC(=O)c2ncn(c2NC1=O)Cc1ccccc1)C(=O)OCC)C	PC-id_10316332	358.349	MUJAWPBBADUZQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084076
COc1cc(/C=N/NC2=NNC(=N)Cc3ncnn23)cc(OC)c1OC	TOSLab_7310,TOSLab_4821,EMOLS-id_207352775,PC-id_17037421,ZINC22_8694828	358.355	ZMTOFOGNPSLMJQ-CNHKJKLMSA-N	00000000100000110111000000000010000000000000000000000000	31-01-084077
COc1cc(C(=O)N2CCCn3nnc(Cn4nncc4C)c3C2)on1	EMOLS-id_313732057,ZINC22_1565554924	358.355	KXBXLLHVYINSJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084078
n12ncnc1CC(=N)NN=C2NN=Cc1cc(OC)c(c(OC)c1)OC	PC-id_1493514,MCULE-6905530031	358.355	ZMTOFOGNPSLMJQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-084079
O(c1c(OC)cc(cc1OC)C=NNC1=NN=C(N)Cc2n1cnn2)C	PC-id_3774727	358.355	IKWQIAJSPBJTLQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-084080
CCC(=Nc1cc(ccc1C)C(F)(F)F)c1c(=O)[nH]c2-c1ccccc2	PC-id_144080628	358.357	GSXQOFXTUWLEQB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084081
c12CN(CCCn1nc(CNC(=O)CC(F)(F)F)c2)C(=O)C1CCC1	ZINC22_82170598,MCULE-4941724922,PC-id_70787680,EMOLS-id_44452457	358.359	ODGSLMSYENBGTK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-084082
O=C(C1C2CCC(C1C(F)(F)F)O2)NCc1nnc2n1CCCCC2	EMOLS-id_101067844	358.359	FAENCQPJCRWVAD-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-084083
Fc1cc(F)cc(c1)S(=O)(=O)N(C1CCn2c(CC1)n[nH]c2=O)C	EMOLS-id_97041593,MCULE-7859664908	358.364	XNCNYHFAKOQRQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084084
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)C=Cc1ccc(cc1)[N+](=O)[O-]	PC-id_90625428	358.372	WURVCWSRRGWCRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084085
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Cn1c2ccccc2oc1=O	PC-id_90625450	358.372	HMXWGTZSOYJENY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084086
c1(C(=O)Nc2sc3c(CCCCCC3)n2)n(C)nc(C(F)(F)F)c1	PC-id_46969149,SYN-20002996,ZINC22_19288804,MCULE-6563427773,EMOLS-id_30435137,CoCoCo_492728	358.382	UKJJCHWCLKMXDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084087
Cn1cc(c(n1)C(F)(F)F)C(=O)Nc1sc2c(n1)CCCCCC2	PC-id_86832664	358.382	GGJHSVAEZZCZEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084088
CCOC(=O)c1c(CC(=O)OC)c(c2-c1ccccc2OCC)C(=O)C	PC-id_102293866	358.385	ZZZRPRKYPISZAH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084089
Cn1ncc2c1CC(C)(C)CN(C(=O)c1cc3c(F)ccc(F)c3[nH]1)C2	ZINC22_1875267412	358.385	NWWCTIWDFMODEI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-084090
Cn1ncc(c1)C1(CCC1)NC(=O)c1cc2=CC=C(CC=c2[nH]1)C(F)F	PC-id_144935761	358.385	WOQXTCVFYBCVEN-UHFFFAOYSA-N	00001000100000000111100000000010000000000000000000000000	31-01-084091
FC(F)Oc1c(cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1C)C	PC-id_25639702,CoCoCo_3456495,CoCoCo_3456494	358.385	RPXKHEMVHBKPLZ-XNTDXEJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084092
FC(F)Oc1c(cc(C=C(c2n3CCCCCc3nn2)C#N)cc1C)C	PC-id_72084717,EMOLS-id_26093009,MCULE-4176356650	358.385	RPXKHEMVHBKPLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084093
Cc1cnnn1Cc1ncn2c1CN(Cc1ccc(F)c(F)c1)CCC2	ZINC22_2055714565,EMOLS-id_313730012	358.388	HUMVRDARERKUPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084094
CC(Oc1ccc(cc1NC(=O)c1noc2c1CCCCC2)C(=O)O)C	PC-id_120517874,EMOLS-id_57595121,MCULE-6089166710	358.388	LDJOJRWRJKLZIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084095
COc1cc(ccc1CCNC(=O)c1noc2c1CCCCC2)C(=O)O	MCULE-6271877605,EMOLS-id_72444920,PC-id_121866426	358.388	VRYHNYYTQFLSQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084096
OC(=O)CCCOc1ccc(cc1)NC(=O)c1noc2c1CCCCC2	MCULE-3415457779,EMOLS-id_57629829,PC-id_120530755	358.388	QTZQRQIZFGHNSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084097
OC(=O)COc1ccc(cc1)CCNC(=O)c1noc2c1CCCCC2	EMOLS-id_57625291,MCULE-4740631908,PC-id_120529022	358.388	AQWVLVKWEGYZIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084098
OC(=O)COc1ccc(cc1)CN(C(=O)c1noc2c1CCCCC2)C	PC-id_120538050,EMOLS-id_57642913,MCULE-5608559773	358.388	PAFSKMLYRCFNFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084099
OC(=O)COc1ccc(cc1)C(NC(=O)c1noc2c1CCCCC2)C	PC-id_121960560,EMOLS-id_72630027,MCULE-2170682835	358.388	BAFNOZWIHMCUTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084100
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1C=CC(NS2=O)C	SCHEMBL21337023,PC-id_139471030	358.39	WYBIPOZPRYBWNJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-084101
c12CN(CCCn1nc(C)c2)C(=O)Nc1c(OC)ccc(c1)C(=O)OC	PC-id_118788567,EMOLS-id_68927195,MCULE-7477883555,ZINC22_299789831	358.392	ACTSFOYIASAZKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084102
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Nc1cccc(OC)c1	PC-id_70713431,EMOLS-id_43070593,MCULE-5399176937,ZINC22_72429885	358.392	CWDDZZCALPPJGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084103
c1(C(=O)N2CCCn3c(cc(n3)C(=O)OC)C2)c(C)[nH]c(C(=O)C)c1C	PC-id_50959668,ZINC22_67740526,MCULE-9112085766,EMOLS-id_32390072	358.392	RVFYWCXVAHAZSO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-084104
c1(C(=O)N2CCOCC2)cc2n(CCCN(C2)C(=O)c2occc2C)n1	ZINC22_65406827,MCULE-5592271300,EMOLS-id_32400530,PC-id_50965238	358.392	AFOWEVAGGDIGHX-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-084105
c1(C(=O)NCc2ccc(cc2)OC)cn2c(CCN(CC(=O)O)CC2)n1	EMOLS-id_336480713,ZINC22_1940198378,MCULE-3798658973	358.392	LCKLNMSEXLFGBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084106
c1(C(=O)NCCO)cc2n(CCCN(Cc3cccc4OCOc34)C2)n1	MCULE-8372674435,ZINC22_65372335,EMOLS-id_32372056,PC-id_50950255	358.392	XZMQAEQKJRPVCY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084107
c1(C(=O)O)cc2n(CCCN(C2)C(=O)N[C@@H](C)c2cccc(OC)c2)n1	MCULE-6342855470,ZINC22_65419598,PC-id_50968036,EMOLS-id_32405826	358.392	YNORCFGTTSLSNS-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084108
c1(onc2CCCCc12)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	ZINC22_426428432,EMOLS-id_82617737,MCULE-3655814513,PC-id_122131189	358.392	XAHITLFPQGQXMV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084109
c1(=O)oc2c(cccc2)n1CCN1CCCn2c(cc(n2)C(CO)O)C1	EMOLS-id_55683447,PC-id_91788172,MCULE-7193961854	358.392	PIYHLEXKAOWCHL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084110
Cc1cc(c(cc1)C)OCCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135099691	358.392	BSDIJMRRRILXOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084111
Cc1c(cc(cc1)OCCNC(=O)c1nn2CC(CNC(=O)c2c1)O)C	PC-id_135111464	358.392	GZVPGARUCLZMNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084112
CCCOc1cccc(c1)CNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135087694	358.392	SEDXUVLWAWUNQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084113
CCCOc1ccccc1CNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135097153	358.392	MCCFLXVMRLQZLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084114
CCOC(=O)c1ccccc1NC(=O)Cn1nc2CCCCCn2c1=O	EMOLS-id_48463979,MCULE-7251564203,PC-id_75526912,SPECS-id_AT-687/NB01994,ZINC22_98211251	358.392	HFOKAGFEGRNCPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084115
CCOC(=O)c1ccc(NC(=O)Cn2nc3CCCCCn3c2=O)cc1	ZINC22_73515633,EMOLS-id_48461797,SPECS-id_AT-687/NB01930,MCULE-3641028450,PC-id_75526891	358.392	YXVICRQZGZMYPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084116
CN1C(=O)CO[C@@H](C(=O)N2CCCc3occc3C2)[C@@H]1c1cnn(C)c1	ZINC22_377457046,MCULE-7494106728,EMOLS-id_316197382	358.392	SNTXHIZFCKYRAH-DLBZAZTESA-N	00000000100010000101100000000010000000000000000000000000	31-01-084117
COc1ccccc1CCCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135092473	358.392	GKXYZTZRYSBZNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084118
COc1ccc(cc1)CCCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135116670	358.392	MCIJSGIBBKSLBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084119
COc1cccc(c1)C(NC(=O)N1CCCn2c(C1)cc(n2)C(=O)O)C	SCHEMBL16100506,PC-id_75592112	358.392	YNORCFGTTSLSNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084120
COc1cc(C(=O)N2CCc3ccc(C(=O)NCC4CC4)n3CC2)on1	ZINC22_1565544949,EMOLS-id_313772751	358.392	AQCCVNZHOZIDRL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-084121
COCc1nnc2CC(C)N(CCn12)C(=O)Cc1ccc2OCOc2c1	EMOLS-id_313825575	358.392	JPUMCUOTBSEDLB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084122
COCc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@H](C)C2	ZINC22_585097370	358.392	JPUMCUOTBSEDLB-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084123
COCc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)[C@@H](C)C2	ZINC22_585097371	358.392	JPUMCUOTBSEDLB-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084124
COC(=O)C1CCc2n(CC1)c(nn2)CNC(=O)OCc1ccccc1	MCULE-2129390469,EMOLS-id_313163843	358.392	DNILPCJCBFPSCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084125
COC(=O)c1ccc(OC)c(CCCn2cnc3c2NC=NCC3O)c1	CHEMBL290770,BindingDB_PC-id_10666097,PC-id_10666097	358.392	DLOYHBZGFPGQQC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-084126
COC(=O)[C@H]1CCc2nnc(CNC(=O)OCc3ccccc3)n2CC1	ZINC22_865214690	358.392	DNILPCJCBFPSCH-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084127
COC(=O)[C@@H]1CCc2nnc(CNC(=O)OCc3ccccc3)n2CC1	ZINC22_865214692	358.392	DNILPCJCBFPSCH-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084128
o1nc(c2CCCCc12)C(=O)N1CCCn2nc(cc2C1)CCC(=O)O	PC-id_56889898	358.392	WACRTOBFWRSCEW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084129
OC1c2ncn(CCc3c(ccc(c3)C(=O)OCC)CO)c2NC=NC1	PC-id_10713407	358.392	CKCZICKHJJMMCS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-084130
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(cc1)C(=O)OC	PC-id_41793773	358.392	UOTHFXQQKCZNSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084131
OC[C@@H](c1nn2c(c1)CN(CCC2)CCn1c(=O)oc2c1cccc2)O	PC-id_99986148	358.392	PIYHLEXKAOWCHL-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084132
OC[C@H](c1nn2c(c1)CN(CCC2)CCn1c(=O)oc2c1cccc2)O	PC-id_99986152	358.392	PIYHLEXKAOWCHL-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084133
OC(=O)c1cnn(c1)C1CCN(CC1)C(=O)c1noc2c1CCCCC2	PC-id_121974923,MCULE-2705412210,EMOLS-id_72658743	358.392	UBJZNKZDTGAJLM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084134
OC(=O)COc1cccc(c1)C(=O)NCCc1nnc2n1CCCCC2	MCULE-3691463260,PC-id_119180010,EMOLS-id_72040437	358.392	RCYOJJJBXNBAOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084135
s1c2CCCCCc2cc1C(=O)NN=Cc1cc([N+](=O)[O-])c([O-])cc1	PC-id_78620781	358.392	KDXZSGHWXYFISZ-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-084136
c
(=N/C(=O)c2c(F)ccc(c2)n2cnnn2)/sc2c(CCCCC2)[nH]1	EMOLS-id_49404740,PC-id_71704135,STOCK7S-33169,ZINC22_79484552,MCULE-9462564311,EMOLS-id_44209832	358.393	LAKFFFDYZRXBDA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084137
c1(sc2c(CCCCC2)n1)NC(=O)c1cc(F)ccc1n1cnnn1	MCULE-9415217922,EMOLS-id_323264582	358.393	ZNGIXSBOGHSCNJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084138
c12CN(CCc1n(nc2C(=O)OC)C)C(=O)c1cn2c(CCNCC2)n1	MCULE-1803455400,EMOLS-id_330451466,ZINC22_1857719246	358.395	HLHISTOEJQAMIU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084139
c12CN(CCc1onc2C(=O)N)C(=O)CCc1cc2n(CCCNC2)n1	PC-id_70724778,ZINC22_72418100,EMOLS-id_43091087,MCULE-9655261088	358.395	CRBHKTWPNAZBCY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084140
c12CN(CCCn1nc(CO)c2)C(=O)c1cnc(nc1)N1CCOCC1	MCULE-1264414831,EMOLS-id_55632564,PC-id_91770530	358.395	PIQHKIVTJJTCTG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-084141
c12nnnn1CCCCC2C(=O)N1CCCN(CC1)C(=O)c1ccco1	EMOLS-id_316267298,MCULE-1153308171	358.395	FXYZHXFLFXZBLR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-084142
c1(C(=O)N(C)C)cn2c(CCN(C(=O)CCc3ccc(=O)[nH]n3)CC2)n1	ZINC22_1875241068,MCULE-1667767709,EMOLS-id_331141901	358.395	NUVDQXNWNVPECY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084143
Cc1nc(O)nc(C)c1CCC(=O)N1CCc2nc(cn2CC1)C(=O)N	ZINC22_1940194822,EMOLS-id_336475323	358.395	VIAMVEUZECGYQH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084144
CCC1(C)Oc2c(O1)ccc(c2)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102027718	358.395	ZUOSEDZNHKAVLQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084145
CCN(C)C(=O)c1cnn2c1CN(C(=O)c1ncc(OC)cn1)CCC2	EMOLS-id_313768896,ZINC22_1565545971	358.395	SWAKRZQDOUKTSA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084146
O=C(c1ccc(c(c1)[N+](=O)[O-])N)NCCCc1nnc2n1CCCCC2	PC-id_119110799	358.395	CEFQHBQDYGNRGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084147
O=C(c1ccco1)N1CCCN(C(=O)[C@@H]2CCCCn3nnnc23)CC1	ZINC22_1506406656	358.395	FXYZHXFLFXZBLR-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-084148
O=C(c1ccco1)N1CCCN(C(=O)[C@H]2CCCCn3nnnc23)CC1	ZINC22_1506406659	358.395	FXYZHXFLFXZBLR-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-084149
O=C(NCc1n2CCCCCc2nn1)c1c(N(C)C)ccc([N+](=O)[O-])c1	PC-id_24676681	358.395	HQBJNLISTPIAQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084150
OC(=O)C1(n2nccc2)CCN(CC1)C(=O)c1n2CCCCCc2nn1	PC-id_56900046	358.395	LJLJXQQQBZFTPP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084151
c1(C(=O)N(C)C)n[nH]c2CCN(Cc12)C(=O)C1CCCCn2nnnc12	MCULE-2455137679,EMOLS-id_49654034,PC-id_74237510	358.398	FJXZPMAFORMXOM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084152
Cc1n[nH]cc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1	ZINC22_1875406734	358.398	LBVRUQQLQMZPSP-SDDRHHMPSA-N	00001000100000000101000000000010000000000000000000000000	31-01-084153
Cc1n[nH]cc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1	ZINC22_1875406735	358.398	LBVRUQQLQMZPSP-UTUOFQBUSA-N	00001000100000000101000000000010000000000000000000000000	31-01-084154
CN(C)C(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1CCCCn3nnnc13)CC2	PC-id_97902143,ZINC22_97522564	358.398	FJXZPMAFORMXOM-SNVBAGLBSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084155
CN(C)C(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCCn3nnnc13)CC2	ZINC22_97522565,PC-id_97902144	358.398	FJXZPMAFORMXOM-JTQLQIEISA-N	00000000100010000101000000010010000000000000000000000000	31-01-084156
CC(c1cnc2-c1ccccc2)NCCCc1cccc(c1)C(F)(F)F	PC-id_68818307,SCHEMBL3862874	358.4	BHOOJRZCQJBPLQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084157
CC(C)(C)CNC(=O)c1c2CN(CCCn2c(n1)C(=C)C(F)(F)F)C	PC-id_89192072,SCHEMBL13878443	358.402	ABTYMPFLGUXTPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084158
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC1CCN(CC1)C	PC-id_19523746	358.402	DEWYMYALGHDYMC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084159
O=C([C@H]1CCCC[C@H]1C(F)(F)F)NCCc1nnc2n1CCCCC2	EMOLS-id_320248566,MCULE-6168354431	358.402	FPSGRFSSBPRTRR-QWHCGFSZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084160
O=C(N1CCCc2c(C1)cnn2C)NCC1CCCC(C1)C(F)(F)F	EMOLS-id_101726241	358.402	HXCGWXCHCUZKIG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084161
COC(=O)c1c(NC(=O)N2CCC(C2)(F)F)sc2c1CCCCC2	EMOLS-id_110833903	358.403	OEUOWFGLBPSULC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-084162
Fc1cccc(c1)C1(CCOCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101031172	358.407	CJPHMAWSXVBEHT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084163
Fc1ccc(cc1)C(C1CCCO1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100940442	358.407	GRBPDMZAXBXVCX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-084164
Fc1ccc(cc1)OC1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100127304	358.407	FYXRWUUYSIRDJC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-084165
s1c2CCCCCc2cc1C(=O)OCC(=O)c1cc2OCOc2cc1	PC-id_7649893	358.408	KGGRLUDKJAHKMM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084166
c12CN(CCCn1nc(CNC(=O)CCc1ccccc1F)c2)C(=O)C	ZINC22_82134361,MCULE-6152820275,EMOLS-id_44443371,PC-id_70761580	358.41	KNDMUHILPVUYQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084167
c1(C(=O)N2CCC(CC2)Oc2cccc(F)c2)nnc2CCCCCn12	EMOLS-id_50534871,MCULE-5843506989,PC-id_86285234	358.41	GXJJRTRAIXLLKR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-084168
c1(C(=O)NCC2(CCOC2)c2ccc(cc2)F)cc2n(CCCNC2)n1	MCULE-6575140405,EMOLS-id_32401372,PC-id_50965680	358.41	CJBXWTYNAQKTIN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-084169
CCC(C)NC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-7239784623,PC-id_50797906,EMOLS-id_32846180	358.41	IUVQURBHQRHMOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084170
CC[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_92750641	358.41	IUVQURBHQRHMOG-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084171
CC[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_92750642	358.41	IUVQURBHQRHMOG-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084172
CNC(C1=CN(CC(c2c1n[nH]c2C)(C)C)C(=O)c1ccc(cc1)F)O	PC-id_145087400	358.41	YYFTWGKONVWUBK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-084173
Fc1cccc(c1)C1CCCN1C(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_87029529	358.41	XTAFAAMTXOSGHG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-084174
Fc1cccc(c1)C1(CCOCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278160477	358.41	KZVFITOTZZCIHU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084175
Fc1ccc(cc1)C1(CCOCC1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-7124464648,EMOLS-id_257965402	358.41	HWIYWFQHVXXOQU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084176
Fc1ccc(cc1)C1OCCC(C1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319038457	358.41	JRDPUSRSVWTXIC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084177
Fc1ccc(cc1)C(=O)NCCC(=O)NCc1n[nH]c2CCCCCc12	ZINC22_244874413,MCULE-8184340054,PC-id_91840776,EMOLS-id_55688453	358.41	XAXYQPXGSLVPAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084178
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCCC)cc1	PC-id_53039084	358.41	PJCJSFIUQQAQFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084179
Fc1cc(CN2CCCn3nc(cc3C2=O)C(=O)NC(CC)C)ccc1	PC-id_53029176	358.41	OLKFMFIEMHNEFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084180
FCCC(=O)N1CCCn2cnc(C(=O)NCCc3ccccc3)c2C1	EMOLS-id_313788985,ZINC22_1565552850	358.41	ARAAPYQTYQGUES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084181
O=C(c1ccc(c(c1)F)C)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97519060	358.41	JKYNVAVRAWDWEV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-084182
O=C(NC[C@@]1(c2ccc(F)cc2)CCOC1)c1cc2n(n1)CCCNC2	PC-id_95128772,ZINC22_65407396	358.41	CJBXWTYNAQKTIN-IBGZPJMESA-N	00000010100000110101100000000010000000000000000000000000	31-01-084183
O=C(NC[C@]1(c2ccc(F)cc2)CCOC1)c1cc2n(n1)CCCNC2	PC-id_95128773,ZINC22_65407397	358.41	CJBXWTYNAQKTIN-LJQANCHMSA-N	00000010100000110101100000000010000000000000000000000000	31-01-084184
O=C(N(Cc1ccccc1F)C)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	MCULE-3985809345,EMOLS-id_316378363	358.41	UUOHLUBFANDGAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084185
c1(NC(=O)c2ccc3c(OCO3)c2)sc2c(CCCCC2)c1C(=O)N	MCULE-7625253514,ZINC22_809566,EMOLS-id_1500418,PC-id_1090049,BAS-07437705,CoCoCo_369662,TIMTEC263915	358.412	KJZSUTVMFOBSLN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084186
Cc1occc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-2435063843,EMOLS-id_31335724,ZINC22_17276093,PC-id_27625918	358.412	GVULPVKJEMSCOZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-084187
C[C@@H](OC(=O)c1ccoc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_26985735,CoCoCo_4347110,ZINC22_16159108	358.412	CNAIHFCEAWSIBT-LLVKDONJSA-N	00000000101000000100000000000010000000000000000000000000	31-01-084188
C[C@H](OC(=O)c1ccoc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_16159109,CoCoCo_4347109,PC-id_26985736	358.412	CNAIHFCEAWSIBT-NSHDSACASA-N	00000000101000000100000000000010000000000000000000000000	31-01-084189
N#Cc1c(NC(=O)C(OC(=O)c2cocc2)C)sc2c1CCCCC2	PC-id_42923583,EMOLS-id_24484273,MCULE-5757976676	358.412	CNAIHFCEAWSIBT-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-084190
O=C(OCc1nnc(c2ccco2)o1)c1cc2c(s1)CCCCCC2	CoCoCo_2876699,PC-id_7618178,MCULE-2814562934,ZINC22_5302097,EMOLS-id_11798768	358.412	NVKLHKAXMUOPBR-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-084191
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c2OCOc2ccc1	PC-id_55835316	358.412	VHDHMCFOPZMMJE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084192
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc2OCOc2cc1	PC-id_9301182	358.412	SXNWFFUFNDYKBR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084193
s1c2c(CCCCC2)c(c1NC(=O)c1c2OCOc2ccc1)C(=O)N	PC-id_60485959	358.412	GRBBRLUSLKJCMU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084194
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1oc(cc1)C)C#N	PC-id_5038852	358.412	MDUHVEROHLFADG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-084195
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1occc1)C)C#N	PC-id_55417825	358.412	SIOFFHVXTWMMAQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-084196
s1c2CCCCCCc2c(c1NC(=O)COC(=O)c1occc1)C#N	PC-id_23774936	358.412	FAGXKULSNBOFPT-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-084197
s1c2c(N(C(=O)[C@@H](N(C2=O)C(=O)C)C)Cc2ccc(OC)cc2)cc1	PC-id_44204174	358.412	OCWHIEGUYSGOAH-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-084198
s1c2c(N(C(=O)C(N(C2=O)C(=O)C)C)Cc2ccc(OC)cc2)cc1	PC-id_74950699	358.412	OCWHIEGUYSGOAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084199
c12nnnn1CCCCC2C(=O)N1CCCN(c2ccc(cc2)F)CC1	EMOLS-id_316255786,MCULE-3909314032	358.413	ZACSFICJDWMJOI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084200
c12nnnn1CCCCC2C(=O)NC1CCN(CC1)c1ccccc1F	PC-id_118772594,MCULE-3591530884,EMOLS-id_68895093	358.413	JXRYJZUXLPYFLJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084201
c1(C(=O)N2CCN(C(C)C2)c2ccc(cn2)F)nnc2CCCCCn12	PC-id_154566581,EMOLS-id_324160284,MCULE-1026049433	358.413	DBFBQBLLEYWFHR-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-084202
CC1CC(N(C1)C(=O)NC1CCn2c(CC1)nnn2)c1cccc(c1)F	EMOLS-id_102164884	358.413	YEWYVGBEMWDLGK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-084203
CC1CN(C(C1)c1ccccc1F)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164899	358.413	XRJUTBYGKRQZIF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-084204
C[C@@H]1CN(C(=O)c2nnc3n2CCCCC3)CCN1c1ccc(F)cn1	ZINC22_1857696498	358.413	DBFBQBLLEYWFHR-CYBMUJFWSA-N	00000000100010101101100000000010000000000000000000000000	31-01-084205
C[C@H]1CN(C(=O)c2nnc3n2CCCCC3)CCN1c1ccc(F)cn1	ZINC22_1857696499	358.413	DBFBQBLLEYWFHR-ZDUSSCGKSA-N	00000000100010101101100000000010000000000000000000000000	31-01-084206
Fc1ccc(c(c1)C)C1CCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102107006	358.413	GQXGANVFHFTUHE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-084207
Fc1ccc(cc1)CC1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163417	358.413	FDNOXAZOEPXQNN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-084208
Fc1cc(ccn1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_313731544,ZINC22_585110547	358.413	DNUGTMOBGAIZEE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-084209
O=C([C@H]1CCCCn2nnnc12)N1CCCN(c2ccc(F)cc2)CC1	ZINC22_1506407849	358.413	ZACSFICJDWMJOI-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084210
O=C([C@@H]1CCCCn2nnnc12)N1CCCN(c2ccc(F)cc2)CC1	ZINC22_1506407859	358.413	ZACSFICJDWMJOI-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084211
O=C(NC1CCn2c(CC1)nnn2)NC1CCC(C1)c1ccc(cc1)F	EMOLS-id_102174497	358.413	SPCIFHIPEJIVDD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-084212
O=C(NC1CCn2c(CC1)nnn2)NC1CCC(C1)c1cccc(c1)F	EMOLS-id_102175637	358.413	KHHKNZZGWWCEFX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-084213
O=C(NC1CCN(c2ccccc2F)CC1)[C@H]1CCCCn2nnnc12	ZINC22_299785231	358.413	JXRYJZUXLPYFLJ-AWEZNQCLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084214
O=C(NC1CCN(c2ccccc2F)CC1)[C@@H]1CCCCn2nnnc12	ZINC22_299785233	358.413	JXRYJZUXLPYFLJ-CQSZACIVSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084215
S(=O)(=O)(N)CCCC(=O)N1CCCn2nc(cc2C1)CCC(=O)O	PC-id_72077222	358.413	QBAALSSMUJDVIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084216
CNc1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)C	SCHEMBL1770199,PC-id_58256644	358.415	SAWXWQXXEYASFM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084217
CN(Cc1nc2c(c(=O)[nH]1)scc2)C(=O)c1noc2c1CCCCC2	EMOLS-id_100924587,PC-id_137223535	358.415	HKGDXVCGTCSABN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084218
n1c(C(CO)O)cc2CN(CCCn12)C(=O)c1ccc2c(scn2)c1	MCULE-9183491451,PC-id_91772408,EMOLS-id_55637930	358.415	WTHSNBLPUOVAHU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084219
N#Cc1c(NC(=O)Cn2cncc(c2=O)OC)sc2c1CCCCC2	EMOLS-id_279069127	358.415	BNBZHZKXPJRIPB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084220
N#Cc1c(NC(=O)COC(=O)Cn2cccn2)sc2c1CCCCC2	MCULE-6134867788,PC-id_41825463,ZINC22_11116079,EMOLS-id_48209063	358.415	NIOKFCVLTMDJJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084221
O=C(c1c(C)oc2c1c(=O)n(cn2)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110762708	358.415	DPIILOHIMRQJFW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084222
O=C(c1c(C)oc2c1c(=O)[nH]cn2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98550989	358.415	PTOZCZSYBPGMHQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084223
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccc2c(c1)scn2)O	PC-id_99973938	358.415	WTHSNBLPUOVAHU-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084224
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccc2c(c1)scn2)O	PC-id_99973939	358.415	WTHSNBLPUOVAHU-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084225
O=S(=O)(Cc1cc(c2ccccc2)on1)c1nnc2n1CCCCC2	ZINC22_125335127,EMOLS-id_189643862,MCULE-7862973922	358.415	QHCODWRVBZZIIM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084226
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1[nH]ncc1)C)C#N	PC-id_55704008	358.415	XGYXYSYIZHAHRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084227
c1(cn2c(CCNCC2)n1)C(=O)N(C)Cc1[nH]c(=O)c2c(ccs2)n1	MCULE-7474994804,ZINC22_1857722669,EMOLS-id_330488859	358.418	MZVWLRVIFZSMSN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084228
c1(C(=O)N2CCn3c(CC2)nnc3CNC(=O)C)cc2c(ccs2)[nH]1	MCULE-3188538483,PC-id_56720051,EMOLS-id_36460583,ZINC22_67920925	358.418	QSHFKVBJWYNTDP-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-084229
Cc1nn(c2n[nH]c(c12)NC(=O)CN1CCCc2c(C1=O)ccs2)C	PC-id_136251129,MCULE-9383548800,EMOLS-id_44568560	358.418	LYYROIPCCXSOCE-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-084230
Cn1ncc2c(=O)n(CC(=O)Nc3nc4c(s3)CCCCC4)cnc12	ZINC22_12830075,PC-id_17498669,EMOLS-id_16674510,CoCoCo_4546263,MCULE-8778116430	358.418	SGNJUFRWHCWLOU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084231
n12ccsc1ncc(NC(=O)NCc1c3CCCCCc3[nH]n1)c2=O	EMOLS-id_49647456,PC-id_74234265,MCULE-8781533414,ZINC22_97402555	358.418	FFXSYPIKVAHPHE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084232
O=C(c1cnc2n(c1=O)ccs2)NCCc1nnc2n1CCCCC2	GD-id_ZINC42765190	358.418	ZJLCIYCDOQYZDM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084233
O=C(CSc1nnc2n1CCCCC2)Nc1ccc2[nH]c(=O)[nH]c2c1	PC-id_8001694,CoCoCo_3081515,ZINC22_6580145,EMOLS-id_3504674,MCULE-5972154532	358.418	SSBKGRSPKZLDOJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084234
O=S(=O)(c1cnn(c1)Cc1ccccc1)N1CCCn2c(C1)cnn2	EMOLS-id_319782436	358.418	HQOCZIBQKRYFDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084235
s1c2CCCN(CC(=O)Nc3nnc4-c3c([nH]n4C)C)C(=O)c2cc1	PC-id_71875931	358.418	QDQOOLJXCQXUNW-UHFFFAOYSA-N	00000010100000000101000100000010000000000000000000000000	31-01-084236
C1CCc2nnc(n2CC1)/C(=C(/CSc1nnnn1C1CC1)O)/C#N	PC-id_135549291	358.421	NEGUJORNICWCGV-QXMHVHEDSA-N	00100000100000000101100000000010000000000000000000000000	31-01-084237
C1CCc2nnc(n2CC1)C(=C(CSc1nnnn1C1CC1)O)C#N	PC-id_136701466	358.421	NEGUJORNICWCGV-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-084238
Cc1nc(C(=O)N2CCCn3nnc(Cn4nncc4C)c3C2)cs1	EMOLS-id_313731801,ZINC22_1565554871	358.421	IGKYUJSZTPAHDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084239
N#C/C(=C
/NN=C2N1CCCCC2)/C(=O)CSc1nnnn1C1CC1	CoCoCo_4300860,PC-id_17547620	358.421	OXGNDYYBFPRBHS-SDNWHVSQSA-N	00100011100000000111100000000010000000000000000000000000	31-01-084240
N#C/C(=C/1NN=C2N1CCCCC2)/C(=O)CSc1nnnn1C1CC1	CoCoCo_4300861,PC-id_73673801	358.421	OXGNDYYBFPRBHS-KAMYIIQDSA-N	00100011100000000111100000000010000000000000000000000000	31-01-084241
N#CC(=C1NN=C2N1CCCCC2)C(=O)CSc1nnnn1C1CC1	EMOLS-id_26219315,MCULE-9548266046,PC-id_72063140	358.421	OXGNDYYBFPRBHS-UHFFFAOYSA-N	00100011100000000111100000000010000000000000000000000000	31-01-084242
s1c(C(=O)NCCc2n3CCCCCc3nn2)c(n2nnnc2)cc1	PC-id_60551237	358.421	NEANJXCWKXFENT-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-084243
CCCCCOC(=O)c1c(OC)c(c2-c1ccc(cc2C)C)C(=O)OC	PC-id_141346806	358.428	ILENJYHNZCJJDN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084244
CCCCCOC(=O)c1c(OCC)c(c2-c1ccccc2)C(=O)OCC	PC-id_141346809	358.428	UTQZZXUFXBKHOT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084245
CCCCOC(=O)c1c2-c(c(c1OCC)C(=O)OCCC)ccccc2	PC-id_141346757	358.428	XPOWWPHPROEREY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084246
CCCCOC(=O)c1c2-c(c(c1OC)C(=O)OCC)c(C)cc(cc2)C	PC-id_141346772	358.428	LWTJTRLKBMUVSO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084247
CCCCOC(=O)c1c(OCC)c(c2-c1ccc(cc2C)C)C(=O)OC	PC-id_141346774	358.428	PTYOGDWCWFUKEZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084248
CCCOc1c(C(=O)OCCC)c2-c(c1C(=O)OCCC)ccccc2	PC-id_141346752	358.428	PMCGULOEWUNIQL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084249
CCCOC(=O)c1c2-c(c(c1OCC)C(=O)OCC)c(C)cc(cc2)C	PC-id_141346759	358.428	AITFXSRCOAIABN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084250
CCCOC(=O)c1c(OCC)c(c2-c1c(C)cc(cc2)C)C(=O)OCC	PC-id_141346813	358.428	ADEMQEFWNVQLMM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084251
CCOC(=O)Oc1cc(c2-c1ccc(cc2)CC(=O)OC)CCC(C)C	PC-id_17776137,SCHEMBL8528021	358.428	YJAIGLDPBDQFCI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084252
O(c1c(c2-c(c1C(=O)O)ccc(CCCCCCCC)cc2)C(=O)O)C	PC-id_11314337	358.428	UWSVOTPQNDCOIG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084253
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)N	PC-id_1222323,MCULE-2268894724	358.43	NDZKSBIVWLRFNW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084254
Fc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_92898094,CoCoCo_5818756	358.43	NDZKSBIVWLRFNW-FLIBITNWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084256
NC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCCC2	ZINC22_997957,SPECS-id_AK-968/12345498,EMOLS-id_26497741,PC-id_1222324,TIMTEC328510,CoCoCo_5818755	358.43	NDZKSBIVWLRFNW-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084257
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1ccc(F)cc1	PC-id_84974445	358.43	VKTBIJOAKIVBQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084258
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1ccc(F)cc1	PC-id_9301236	358.43	VKTBIJOAKIVBQX-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084259
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1cc(F)ccc1	PC-id_84974439	358.43	PGDYYTTUCDQCLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084260
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1cc(F)ccc1	PC-id_9301223	358.43	PGDYYTTUCDQCLN-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084261
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1c(F)cccc1	PC-id_84974417	358.43	HKSOZTLJWCXCSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084262
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1c(F)cccc1	PC-id_9301002	358.43	HKSOZTLJWCXCSO-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084263
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1c(F)cccc1)C(=O)N	PC-id_60388337	358.43	PGIUVXPXIIVEKA-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084264
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1c(F)cccc1)C(=O)N	PC-id_76857707	358.43	PGIUVXPXIIVEKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084265
CCCCOc1c2-c(c(c(c2)C(=O)N)C)ccc(c1)CCC(=O)N(C)O	SCHEMBL8335393,PC-id_88281038	358.431	PTVAXIGKQDIOGQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084266
CCCCOc1cc(CCC(=O)N(O)C)ccc2-c1ccc2CC(=O)N	SCHEMBL8528456,PC-id_17776134	358.431	ADEBKQNOOVHUIP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084267
CCCCOC(c1cc(ccc2-c1ccc2)CCC(=O)N(C)O)C(=O)N	SCHEMBL8335396,PC-id_88281039	358.431	FMPHVTHEMFCMIP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084268
CCCCOC(=O)Oc1oc2c(c1N)CCN(CC2)Cc1ccccc1	SCHEMBL11295273,PC-id_70556802	358.431	TUZFQRAFCJIZAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084269
CCCCONC(=O)Cc1cc(ccc2-c1ccc2)CCC(=O)N(C)O	SCHEMBL8335390,PC-id_88281036	358.431	ZWYSGOQAEBXIQV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084270
COCCC1CN(Cc2cccn2C1)C(=O)COc1ccccc1OC	EMOLS-id_313835559	358.431	ZQUSWFMEEDHNDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084271
COCC[C@@H]1CN(C(=O)COc2ccccc2OC)Cc2cccn2C1	ZINC22_585095601	358.431	ZQUSWFMEEDHNDC-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084272
COCC[C@H]1CN(C(=O)COc2ccccc2OC)Cc2cccn2C1	ZINC22_585095602	358.431	ZQUSWFMEEDHNDC-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084273
O(c1c2-c(c(cc2)CC(=O)N)ccc(C(CC(=O)NO)C)c1)CCCC	PC-id_57214753	358.431	DXOOUZVUVKOIKF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084274
O=C1C=CC(=C(c2c3-c(cc2)ccccc3)c2c3-c(cc2)ccccc3)C=C1	PC-id_10689757	358.431	MAEVOTLQQXQHIE-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-084275
O=C(OC(C)(C)C)NC1CCN(CC1)C(=O)c1cc2c(o1)CC=CC=C2	PC-id_142590719	358.431	SBDCQWOXIADWRF-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-084276
c12CN(CCCn1nc(C#N)c2)C(=O)CCSCc1ccc(cc1)F	EMOLS-id_32426418,MCULE-9243011164,ZINC22_65494523,PC-id_50978973	358.433	FEBOAZOKVMXFRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084277
Cc1ccc(cc1)C(=O)N1CCc2c(CC1)nc(o2)/C=C/c1ccccc1	SCHEMBL15293375	358.433	FZTQNYQNWKRMDN-FMIVXFBMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084278
Cc1ccc(cc1)C(=O)N1CCc2c(CC1)oc(n2)C=Cc1ccccc1	PC-id_89830919	358.433	FZTQNYQNWKRMDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084279
Cc1csc(CN2Cc3cccn3C[C@@H](Oc3ncccc3F)C2)n1	ZINC22_247954719	358.433	LPBJZDWXBJOCCS-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084280
Cc1csc(CN2Cc3cccn3C[C@H](Oc3ncccc3F)C2)n1	ZINC22_247954722	358.433	LPBJZDWXBJOCCS-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084281
Cc1csc(CN2CC(Cn3cccc3C2)Oc2ncccc2F)n1	EMOLS-id_50371743	358.433	LPBJZDWXBJOCCS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084282
Fc1ccc(cc1)c1onc(c1C)CSc1nnc2n1CCCCC2	PC-id_17400465,MCULE-6424870903,EMOLS-id_257879208	358.433	OVOGLWNSOZBRNX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084283
Fc1cccnc1OCC1CN(Cc2cccs2)Cc2cncn2C1	EMOLS-id_49233155	358.433	RATRVXZSAAGSGS-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-084284
Fc1cccnc1OC[C@H]1CN(Cc2cccs2)Cc2cncn2C1	ZINC22_96209352,PC-id_97477479	358.433	RATRVXZSAAGSGS-AWEZNQCLSA-N	00000000100100101101000000000010000000000000000000000000	31-01-084285
Fc1cccnc1OC[C@@H]1CN(Cc2cccs2)Cc2cncn2C1	ZINC22_96209353,PC-id_97477480	358.433	RATRVXZSAAGSGS-CQSZACIVSA-N	00000000100100101101000000000010000000000000000000000000	31-01-084286
O=C(N(Cc1nnc2n1CCCCC2)C)c1cc2c(s1)cccc2F	GD-id_ZINC23083021,PC-id_30828968	358.433	BZDBIVKXRWRSDY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084287
O=C(NCCc1nnc2n1CCCCC2)c1cc2cc(F)ccc2s1	ZINC22_73800977	358.433	JBWFFBOHKSQBGY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084288
s1c(c(c2c1cccc2F)C)C(=O)NCc1n2CCCCCc2nn1	PC-id_51266352	358.433	JPVMSRRVSDZTDD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084289
s1c(C(=O)NCCc2n3CCCCCc3nn2)cc2c1cccc2F	PC-id_55536186	358.433	FOCAWEALCZGRPR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084290
c12CN(CCCn1nc(C)c2)C(=O)Nc1cccc(OCCOCC)c1	EMOLS-id_68899652,PC-id_118774830,MCULE-1846962279,ZINC22_299776350	358.435	AGNDNHZLXXUMRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084291
c12CN(CCCn1nc(CCC(=O)NCCO)c2)Cc1cccc(O)c1	PC-id_72890932,EMOLS-id_46063577,MCULE-8077705920,ZINC22_91663381	358.435	KRHJIZSKRJTDDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084292
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)C(CCC)n1cccc1	EMOLS-id_43101735,PC-id_56892951,MCULE-6396672729	358.435	IGPXDTYQWZKYEE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-084293
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1ccc(CN2CCCC2)o1	EMOLS-id_55665357,PC-id_91781919,MCULE-9066194521	358.435	NFAFUVPUMZIPDK-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-084294
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(CO)o1	ZINC22_92046055,MCULE-7579789501,PC-id_72934897,EMOLS-id_46095641	358.435	POZJLCOOGWZJBF-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-084295
c12CN(CCCn1nc(CO)c2)C(=O)C1CCN(CC1)Cc1ccco1	PC-id_91782669,MCULE-5864224379,EMOLS-id_55667571	358.435	HDCSFAXVJHBZIG-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-084296
c1(C(O)C2CC2)cc2n(CCCN(CCC(=O)NCc3ccco3)C2)n1	MCULE-2982241552,PC-id_91763755,EMOLS-id_55613297	358.435	OBEQKFGOWFBCCF-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-084297
c1(C(O)C2CCC2)cc2n(CCCN(CC(=O)NCc3ccco3)C2)n1	MCULE-6500559748,EMOLS-id_55699699,PC-id_91793685	358.435	GVIPRDMQVFPGFK-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-084298
CC1Cc2nnc(COCC3CC3)n2CCN1C(=O)c1cc(C)oc1C	EMOLS-id_313742011	358.435	LLWCGTFELRXJJQ-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-084299
Cc1cc(C(=O)N2Cc3ccnn3CCC2CN2CCOCC2)c(C)o1	EMOLS-id_313815850	358.435	ZIHPEWFFBWTCNE-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-084300
Cc1cc(C(=O)N2Cc3ccnn3CC[C@H]2CN2CCOCC2)c(C)o1	ZINC22_585098548	358.435	ZIHPEWFFBWTCNE-INIZCTEOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-084301
Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2CN2CCOCC2)c(C)o1	ZINC22_585098550	358.435	ZIHPEWFFBWTCNE-MRXNPFEDSA-N	00000000101010000101000000000010000000000000000000000000	31-01-084302
Cc1cc(C(=O)N2CCn3c(COCC4CC4)nnc3C[C@H]2C)c(C)o1	ZINC22_585097542	358.435	LLWCGTFELRXJJQ-GFCCVEGCSA-N	00100000101000000101000000000010000000000000000000000000	31-01-084303
Cc1cc(C(=O)N2CCn3c(COCC4CC4)nnc3C[C@@H]2C)c(C)o1	ZINC22_585097543	358.435	LLWCGTFELRXJJQ-LBPRGKRZSA-N	00100000101000000101000000000010000000000000000000000000	31-01-084304
Cc1nc(C2(NC(=O)c3noc4c3CCCCC4)CCCCCC2)no1	MCULE-4678673946,PC-id_99626019,ZINC22_129455626,EMOLS-id_50353773	358.435	RSZOTOAECHMFKG-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-084305
Cc1ncoc1C(=O)N1Cc2ccnn2CCC1COCC1CCCC1	EMOLS-id_313744822	358.435	DBDXYYCFRHGQQB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084306
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1COCC1CCCC1	ZINC22_585096815	358.435	DBDXYYCFRHGQQB-KRWDZBQOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084307
Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1COCC1CCCC1	ZINC22_585096817	358.435	DBDXYYCFRHGQQB-QGZVFWFLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084308
CCc1nc(C)ccc1OCC(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99971761	358.435	GUHQDDGCFIOVTB-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084309
CCc1nc(C)ccc1OCC(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99971762	358.435	GUHQDDGCFIOVTB-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084310
CCc1nc(C)ccc1OCC(=O)N1CCCn2nc(cc2C1)C(C)O	MCULE-8965390848,EMOLS-id_55608476,PC-id_91762006	358.435	GUHQDDGCFIOVTB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084311
CC(c1onc(n1)C1CCCCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101012858	358.435	TUNBMGAGMPHGEC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084312
CCCc1onc(C)c1C(=O)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_585099181	358.435	RQGJOOPINKYSNJ-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-084313
CCCc1onc(C)c1C(=O)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_585099182	358.435	RQGJOOPINKYSNJ-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-084314
CCCc1onc(C)c1C(=O)N1CC(Cn2nccc2C1)OCC1CC1	EMOLS-id_313730994	358.435	RQGJOOPINKYSNJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-084315
CCC[C@@H](C(=O)N1CCCn2nc(CCC(=O)O)cc2C1)n1cccc1	PC-id_95868451,ZINC22_72422042	358.435	IGPXDTYQWZKYEE-KRWDZBQOSA-N	00000000110000000101000000000010000000000000000000000000	31-01-084316
CCC[C@H](C(=O)N1CCCn2nc(CCC(=O)O)cc2C1)n1cccc1	PC-id_95868452,ZINC22_72422043	358.435	IGPXDTYQWZKYEE-QGZVFWFLSA-N	00000000110000000101000000000010000000000000000000000000	31-01-084317
CCCCOc1ccc(cc1NC(=O)C1CCn2c(CC1)nnc2)OC	EMOLS-id_319341604	358.435	NXVBKXYSSZSFFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084318
CCCNC(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	EMOLS-id_207876599,MCULE-2538853890	358.435	LNLYZVCJDIMCKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084319
CCCOc1ccc(cc1OC)CNC(=O)C1CCn2c(CC1)nnc2	MCULE-4553622653,EMOLS-id_320006462	358.435	GZVISSFNHRKGLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084320
CCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc(c(c1)OC)OC	EMOLS-id_319639311	358.435	LDNMNZDYDNHRCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084321
CC(Oc1cccc(c1)C(CNC(=O)C1CCn2c(CC1)nnc2)O)C	MCULE-3678691843,EMOLS-id_320252338	358.435	SOYXTYVXLGNPEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084322
CCOc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1OC	PC-id_47016862,MCULE-5413258591,ZINC22_48331980,EMOLS-id_30718509	358.435	HFBIXBMABQAYNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084323
CCOc1ccc(OCC(=O)NCCc2nnc3n2CCCCC3)cc1	PC-id_47016858,MCULE-5302513137,EMOLS-id_30726007,ZINC22_48339908	358.435	PRAJATLNUUKODG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084324
CCOCc1nnc2CC(C)N(CCn12)C(=O)COc1ccccc1C	EMOLS-id_313824294	358.435	FHFDTZCHQSCOGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084325
CCOCc1nnc2n1CCN(C(=O)COc1ccccc1C)[C@@H](C)C2	ZINC22_585097051	358.435	FHFDTZCHQSCOGZ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084326
CCOCc1nnc2n1CCN(C(=O)COc1ccccc1C)[C@H](C)C2	ZINC22_585097054	358.435	FHFDTZCHQSCOGZ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084327
CN(Cc1ccco1)Cc1cnc2CCN(CCn12)C(=O)C1CC(O)C1	ZINC22_585110592,EMOLS-id_313780935	358.435	AYPBSDUITAHGNZ-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-084328
CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1ccc3c(c1)OCO3)C2	PC-id_100067266,ZINC22_221353458	358.435	TWVCCNSEDBHKMR-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084329
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc3c(c1)OCO3)C2	ZINC22_221353498,PC-id_100067267	358.435	TWVCCNSEDBHKMR-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084330
CN(C)CC(O)c1cc2CN(Cc3ccc4OCOc4c3)CCCn2n1	EMOLS-id_50546533,MCULE-2134484226,PC-id_90652966	358.435	TWVCCNSEDBHKMR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084331
COc1ccccc1CCC(=O)N(C)C1CCc2nn(C)c(=O)n2CC1	EMOLS-id_50586083,PC-id_91910865,MCULE-8862325656	358.435	LORBSTVGXWCVQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084332
COc1ccc(cc1NC(=O)CCN1CCCn2c(C1)cc(n2)C)OC	PC-id_50979066,MCULE-6724909142,EMOLS-id_32426594	358.435	NTPIDBOXBNTESE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084333
COc1ccccc1OCC(=O)N1Cc2ccnn2CCC1CN(C)C	EMOLS-id_313816108	358.435	ZPFMYBGZQLNMLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084334
COc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@H]1CN(C)C	ZINC22_585098594	358.435	ZPFMYBGZQLNMLL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084335
COc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C	ZINC22_585098598	358.435	ZPFMYBGZQLNMLL-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084336
COc1cc(C)c(cc1OC)CN(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_318992770	358.435	RWKASCHKUOAXMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084337
COc1ccc(CCC(=O)NC2CCc3nnc(C)n3CC2)cc1OC	MCULE-2200152358,EMOLS-id_50590169,PC-id_91922566	358.435	PXXHARZIJLOJGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084338
COc1cccc(CN2CCc3nn(CC4CC4)c(=O)n3CC2)c1OC	MCULE-6789718809,PC-id_91910680,EMOLS-id_50586737	358.435	CHXJZDNVYVQGHN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-084339
COc1cc(C(=O)NCc2nnc3n2CCCCC3)ccc1OC(C)C	MCULE-7892678055,PC-id_47014548,ZINC22_48354006,EMOLS-id_30737069	358.435	CQOXGKIUTHIUFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084340
COc1cc(NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)c(C)c(OC)c1	MCULE-2322963788,ZINC22_663186975,EMOLS-id_316876524	358.435	YJAUREFEDVNNIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084341
COc1ncccc1CN1Cc2cccn2C[C@@H](OCC(=O)N(C)C)C1	ZINC22_248036198	358.435	UTGCANOUPQILRJ-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084342
COc1ncccc1CN1Cc2cccn2C[C@H](OCC(=O)N(C)C)C1	ZINC22_248036200	358.435	UTGCANOUPQILRJ-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084343
COc1ncccc1CN1CC(Cn2cccc2C1)OCC(=O)N(C)C	EMOLS-id_50019450	358.435	UTGCANOUPQILRJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084344
COc1ncccc1C(=O)N1Cc2ccnn2CCC1COCC(C)C	EMOLS-id_313820195	358.435	NJDBWZJREAKTMM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084345
COc1ncccc1C(=O)N1Cc2ccnn2CC[C@H]1COCC(C)C	ZINC22_585097600	358.435	NJDBWZJREAKTMM-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084346
COc1ncccc1C(=O)N1Cc2ccnn2CC[C@@H]1COCC(C)C	ZINC22_585097601	358.435	NJDBWZJREAKTMM-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084347
COCc1nnc2CCC(CCn12)NC(=O)CCc1ccc(OC)cc1	PC-id_91922596,EMOLS-id_50590323,MCULE-4963774373	358.435	ZBFTYSOUFQSVIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084348
COCCn1nc2CCC(CC(=O)NCc3ccccc3)CCn2c1=O	EMOLS-id_207877382,MCULE-3492504583	358.435	DWLCDINRWWRZLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084349
COCC(=O)NCC1CCn2nccc2CN1Cc1ccccc1OC	EMOLS-id_313815336	358.435	IMYNIHDGMWCZSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084350
COCC(=O)NCC1CN(Cc2cccc(OC)c2)Cc2ccnn2C1	EMOLS-id_50371219	358.435	GUXXJUOEKHIFJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084351
COCC(=O)NC[C@@H]1CCn2nccc2CN1Cc1ccccc1OC	ZINC22_585097192	358.435	IMYNIHDGMWCZSY-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084352
COCC(=O)NC[C@H]1CCn2nccc2CN1Cc1ccccc1OC	ZINC22_585097193	358.435	IMYNIHDGMWCZSY-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084353
COCC(=O)NC[C@H]1CN(Cc2cccc(OC)c2)Cc2ccnn2C1	ZINC22_247875727	358.435	GUXXJUOEKHIFJZ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084354
COCC(=O)NC[C@@H]1CN(Cc2cccc(OC)c2)Cc2ccnn2C1	ZINC22_247875728	358.435	GUXXJUOEKHIFJZ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084355
CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2noc3c2CCCCC3)C1	EMOLS-id_316187207,MCULE-7577635228,ZINC22_888103050	358.435	BZUBEJMPJRMWEK-HIFRSBDPSA-N	00000010100000000101100000000010000000000000000000000000	31-01-084356
O(c1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1)CCOC	PC-id_60566909	358.435	KYQUQNTWUOGDSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084357
OCc1ccc(c(c1)OC)C(=O)NC(c1nnc2n1CCCCC2)CC	EMOLS-id_319573666	358.435	NEPBVSVSGNGOSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084358
O=C(c1ccc(o1)CN1CCCC1)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99978396	358.435	NFAFUVPUMZIPDK-CQSZACIVSA-N	00000010101000000101000000000010000000000000000000000000	31-01-084359
O=C(c1ccc(o1)CN1CCCC1)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99978398	358.435	NFAFUVPUMZIPDK-AWEZNQCLSA-N	00000010101000000101000000000010000000000000000000000000	31-01-084360
O=C(c1noc2c1CCCCC2)N1CCN(CC1)Cc1c(C)noc1C	EMOLS-id_111825622	358.435	ZYVJRWYFHHETKY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084361
O=C(c1noc2c1CCCCC2)N1CCN(CC1)Cc1oc(c(n1)C)C	EMOLS-id_111829535	358.435	XOWDFGOFBWHLQK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084362
O=C(CC1CC1)NCc1cnc2CCN(CCn12)C(=O)C1[C@H]2COC[C@@H]12	EMOLS-id_313780425	358.435	IWBRMYZAZCPMJA-MVVMVCHASA-N	00100010100000000101010000000010000000000000000000000000	31-01-084363
O=C(CC1CC1)NCc1cnc2n1CCN(C(=O)[C@@H]1[C@H]3COC[C@@H]13)CC2	ZINC22_585110613	358.435	IWBRMYZAZCPMJA-HWWDLCQESA-N	00100010100000000101010000000010000000000000000000000000	31-01-084364
O=C(CC1CC1)NCc1cnc2n1CCN(C(=O)[C@H]1[C@H]3COC[C@@H]13)CC2	ZINC22_585110614	358.435	IWBRMYZAZCPMJA-JLVBRIDZSA-N	00100010100000000101010000000010000000000000000000000000	31-01-084365
O(CCCC(=O)NCc1n2CCCCCc2nn1)c1ccc(OC)cc1	PC-id_51266259	358.435	HNOQIPJFSZIQGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084366
O=C(CN1CCCn2nc([C@@H](O)C3CCC3)cc2C1)NCc1ccco1	PC-id_100259989,ZINC22_223491843	358.435	GVIPRDMQVFPGFK-IBGZPJMESA-N	00001000101000000101000000000010000000000000000000000000	31-01-084367
O=C(CN1CCCn2nc([C@H](O)C3CCC3)cc2C1)NCc1ccco1	ZINC22_230590800	358.435	GVIPRDMQVFPGFK-LJQANCHMSA-N	00001000101000000101000000000010000000000000000000000000	31-01-084368
O=C(C(N1C(=O)C2C(C1=O)CCCC2)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101669206	358.435	MBZCLSUWPCFMDO-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-084369
O(CC(=O)NCCc1n2CCCCCc2nn1)c1c(OCC)cccc1	PC-id_52200336	358.435	MXLATDTWJHRMJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084370
O=C(NCc1ccco1)CCN1CCCn2c(C1)cc(n2)[C@H](C1CC1)O	PC-id_100020082	358.435	OBEQKFGOWFBCCF-IBGZPJMESA-N	00100000101000000101000000000010000000000000000000000000	31-01-084371
O=C(NCc1ccco1)CCN1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O	PC-id_100020085	358.435	OBEQKFGOWFBCCF-LJQANCHMSA-N	00100000101000000101000000000010000000000000000000000000	31-01-084372
O=C(NCc1n2CCCCCc2nn1)c1cc(OCC)c(OCC)cc1	PC-id_51266239	358.435	MRFFCKICVOPQEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084373
O=C(NCc1n2CCCCCc2nn1)CCc1cc(OC)cc(OC)c1	PC-id_51266383	358.435	PVAOMEFZCRVTRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084374
O=C(NCc1n2CCCCCc2nn1)CCc1cc(OC)c(OC)cc1	PC-id_46524817	358.435	RSGBKDIHGCYUAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084375
O=C(NCCc1n2CCCCCc2nn1)c1cc(OC)c(c(OC)c1)C	PC-id_52181418	358.435	GYLCVHHBNIUDPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084376
O=C(NCCc1n2CCCCCc2nn1)c1cc(OCCOC)ccc1	PC-id_60566939	358.435	FSIMAHMFLZHQGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084377
O=C(NCCc1n2CCCCCc2nn1)Cc1cc(OC)c(OC)cc1	PC-id_52192936	358.435	VXFZMICVLWKREY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084378
O=C(NCCc1n2CCCCCc2nn1)Cc1c(OC)ccc(OC)c1	PC-id_78844149	358.435	GGILUKPSPAOJCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084379
O=C(NCCc1n2CCCCCc2nn1)Cc1c(OC)cc(OC)cc1	PC-id_51307488	358.435	KEATTZUMFHGQQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084380
n1c(Cc2ccccc2)nn2CCN(C(=O)C=Cc3ccccc3)CCc12	MCULE-9987789693	358.436	VLKSNORESYZGLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084381
O=C(/C=C/c1ccccc1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356169681,EMOLS-id_337832577	358.436	VLKSNORESYZGLL-VAWYXSNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084382
c12CN(CCC)CCCn1nc(CNC(=O)Cc1cnc([nH]c1=O)C)c2	ZINC22_82093613,EMOLS-id_44426407,MCULE-9373191990,PC-id_70713014	358.438	AUUMAPZGTQCLDO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084383
c12CN(CCCn1nc(CCC(=O)N1CCOCC1)c2)Cc1c[nH]cn1	MCULE-5277786617,EMOLS-id_46045283,ZINC22_91493721,PC-id_72865644	358.438	ZDSUEUANDLFJMU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084384
c12CN(CCCn1nc(CCC(=O)N1CCOCC1)c2)Cc1[nH]ccn1	PC-id_72905184,MCULE-3043108099,EMOLS-id_46073995,ZINC22_91769093	358.438	LHQRHDMXWIJJRF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084385
c12CN(CCCn1nc(CN(C)Cc1c3CCCc3[nH]n1)c2)C(=O)OC	ZINC22_72432717,MCULE-9630106034,EMOLS-id_43072467,PC-id_56885836	358.438	XEFNBUTXXGRLEU-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-084386
c1(C(CC(C)C)NC(=O)c2cccn(C)c2=O)nnc2CCNCCn12	EMOLS-id_36440236,PC-id_56710166,MCULE-8913206395	358.438	LOWHTXGYOKYVFU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084387
c1(C(C(C)C)NC(=O)Nc2cccc(OC)c2)nnc2CCNCCn12	MCULE-4864974243,PC-id_56710902,EMOLS-id_36441782	358.438	JJBUBYBFUYQCNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084388
c1(cn2c(CCNCC2)n1)C(=O)N1CCC(CC1)c1onc(C(C)C)n1	EMOLS-id_330488578,MCULE-2248386009,ZINC22_1857720312	358.438	OMBBWKKYBSMDFY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084389
c1(C(O)c2ccnn2C)cc2n(CCCN(C2)C(=O)NC2CCCC2)n1	EMOLS-id_55624934,MCULE-3831224997,PC-id_91767868	358.438	DCAWRUDFTLKECC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084390
c1(C(=O)N2CCCn3c(cc(n3)C(CC)O)C2)nnc2CCCCCn12	MCULE-4489353715,PC-id_91760610,EMOLS-id_55604532	358.438	SFMKGHVEIWGJTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084391
c1(C(=O)N2CCn3c(n[nH]c3=O)CC2)n[nH]c2CCC(C(C)(C)C)Cc12	EMOLS-id_97099338,MCULE-4440722736	358.438	SJUFYUGMMJKBOU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084392
c1(C(=O)NCc2cc3n(CCCN(CC(C)C)C3)n2)cnc([nH]c1=O)C	EMOLS-id_44431405,MCULE-8439051425,PC-id_70727342,ZINC22_82100029	358.438	CXBXYHBLCSSKKK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084393
c1(C(=O)NCc2cc3n(CCCN(C(=O)C)C3)n2)cn(nc1C)CCC	ZINC22_82096462,MCULE-3337773979,PC-id_70716005,EMOLS-id_44427445	358.438	OEXVJZUIKJJHLI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084394
c1(C(=O)O)nn(c2CCC(Cc12)NCc1nnc2CCCCCn12)CC	PC-id_56701008,EMOLS-id_36421002,MCULE-8116040553	358.438	AALVWYFJNIFUHH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084395
c1(=O)nc(C)cc(C)n1CCNC(=O)CCc1cc2n(CCCNC2)n1	MCULE-5329336142,ZINC22_72453427,PC-id_70756349,EMOLS-id_43142388	358.438	WWEFCOOZXHPQFZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084396
CC1Cc2nnc(COc3ccc(C)nc3)n2CCN1C(=O)CN(C)C	EMOLS-id_313744314	358.438	SMEBLADLDYFJCL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084397
Cc1cc([C@@H]2CCCN2C(=O)NCCc2nnc3n2CCCCC3)no1	PC-id_94049055,ZINC22_45384083	358.438	PNRFSSVRGPRPRS-HNNXBMFYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-084398
Cc1cc([C@H]2CCCN2C(=O)NCCc2nnc3n2CCCCC3)no1	ZINC22_45384086,PC-id_94049056	358.438	PNRFSSVRGPRPRS-OAHLLOKOSA-N	00000010100000000101100000000010000000000000000000000000	31-01-084399
Cc1ccc(OCc2nnc3n2CCN(C(=O)CN(C)C)[C@@H](C)C3)cn1	ZINC22_585098242	358.438	SMEBLADLDYFJCL-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084400
Cc1ccc(OCc2nnc3n2CCN(C(=O)CN(C)C)[C@H](C)C3)cn1	ZINC22_585098245	358.438	SMEBLADLDYFJCL-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084401
Cc1ccn(n1)CC(=O)N(C1CCn2c(CC1)nn(c2=O)CC1CC1)C	MCULE-3704611684,PC-id_91922760,EMOLS-id_50586169	358.438	RHNHCKSQUOYHIW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-084402
Cc1nn(c(c1)NC(=O)N1CCc2c(CC1)[nH][nH]c2=O)C1CCCCC1	MCULE-9037828091,EMOLS-id_68870757,PC-id_118761483	358.438	MBPADCMKDJDSMC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084403
Cc1noc(CC(=O)N2Cc3ccnn3CC[C@H]2CN2CCCCC2)n1	ZINC22_585097277	358.438	JODUSXKLXBRWQP-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084404
Cc1noc(CC(=O)N2Cc3ccnn3CC[C@@H]2CN2CCCCC2)n1	ZINC22_585097278	358.438	JODUSXKLXBRWQP-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084405
Cc1nonc1[C@@H]1CCCN1C(=O)c1cc2n(n1)CCCN(C(C)C)C2	ZINC22_65404837,PC-id_95127748	358.438	DZRAOAXQUXTPBD-INIZCTEOSA-N	00000010100000000101100000000010000000000000000000000000	31-01-084406
Cc1nonc1[C@H]1CCCN1C(=O)c1cc2n(n1)CCCN(C(C)C)C2	ZINC22_65404838,PC-id_95127749	358.438	DZRAOAXQUXTPBD-MRXNPFEDSA-N	00000010100000000101100000000010000000000000000000000000	31-01-084407
Cc1onc(c1)C1CCCN1C(=O)NCCc1nnc2n1CCCCC2	PC-id_71893463,MCULE-6497524175,EMOLS-id_44533835	358.438	PNRFSSVRGPRPRS-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-084408
CCc1ncc(cn1)C(=O)N1CCCn2nc(cc2C1)C(O)CN(C)C	MCULE-5500372063,PC-id_91789732,EMOLS-id_55687999	358.438	CUMJNBFVYKSXKO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084409
CCc1ncc(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)cn1	PC-id_100192976,ZINC22_223101452	358.438	CUMJNBFVYKSXKO-INIZCTEOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084410
CCc1ncc(C(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)cn1	PC-id_100192986,ZINC22_223101506	358.438	CUMJNBFVYKSXKO-MRXNPFEDSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084411
CC(c1onc(n1)C1CCCCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319692441	358.438	KPLFYLYEFUWFNT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084412
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1c(C)noc1C1CC1	EMOLS-id_99841292	358.438	CTDMHVRLHIJBRJ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-084413
CC(C)c1nnc(/C=C/C(=O)NCCCc2nnc3n2CCCCC3)o1	ZINC22_89893798,PC-id_75384882	358.438	RRZONBUAMFHGIA-MDZDMXLPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084414
CC(C)C[C@@H](NC(=O)c1cccn(C)c1=O)c1nnc2n1CCNCC2	PC-id_95215758,ZINC22_67833670	358.438	LOWHTXGYOKYVFU-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084415
CC(C)C[C@H](NC(=O)c1cccn(C)c1=O)c1nnc2n1CCNCC2	ZINC22_67833669,PC-id_95215757	358.438	LOWHTXGYOKYVFU-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084416
CC(C)CN1CCCn2nc(CNC(=O)c3ccc(=O)n(C)n3)cc2C1	MCULE-9114897070,PC-id_70755899,ZINC22_82125954,EMOLS-id_44441455	358.438	KSQOYWSPCIAQGW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084417
CC[C@H](c1cc2n(n1)CCCN(C2)C(=O)c1nnc2n1CCCCC2)O	PC-id_99970732	358.438	SFMKGHVEIWGJTO-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084418
CC[C@@H](c1cc2n(n1)CCCN(C2)C(=O)c1nnc2n1CCCCC2)O	PC-id_99970734	358.438	SFMKGHVEIWGJTO-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084419
CC(C)N1CCCn2nc(cc2C1)C(=O)N1CCCC1c1nonc1C	EMOLS-id_32397778,MCULE-6856507988,PC-id_50963771	358.438	DZRAOAXQUXTPBD-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-084420
CC(C)N(C)Cc1nnc2CN(CCCn12)C(=O)c1cccc(=O)n1C	EMOLS-id_313733074,ZINC22_2055717923	358.438	IFGAQYCGWFCJHD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084421
CC(C)N(C)Cc1nnc2CN(CCCn12)C(=O)c1cc(on1)C1CC1	ZINC22_1146921864,EMOLS-id_313732818	358.438	QRRXXAUAAJYFBL-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-084422
CC(C)N(C)Cc1nnc2CN(CCCn12)C(=O)Cn1ccccc1=O	ZINC22_1141906310,EMOLS-id_313729491	358.438	ABJUFTFUSWOUNV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084423
CC(C(=O)NCc1cc2CN(CCCn2n1)C(=O)C)n1nc(C)cc1C	PC-id_70714693,MCULE-6123350570,EMOLS-id_44426983	358.438	IQCZKOKNBBPBGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084424
C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)Cc3nnc4n3CCCCC4)n[nH]c12	PC-id_146115612,MCULE-5689996864,ZINC22_1875393349,EMOLS-id_323990765	358.438	KYPZCRCCPCMEDM-NEPJUHHUSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084425
CCn1nc(C(=O)O)c2c1CC[C@@H](NCc1nnc3n1CCCCC3)C2	PC-id_95187909,ZINC22_67431906	358.438	AALVWYFJNIFUHH-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084426
CCn1nc(C(=O)O)c2c1CC[C@H](NCc1nnc3n1CCCCC3)C2	ZINC22_67431910,PC-id_95187910	358.438	AALVWYFJNIFUHH-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084427
CC(=O)N1CCCn2nc(CNC(=O)[C@H](C)n3nc(C)cc3C)cc2C1	PC-id_96572545,ZINC22_82096166	358.438	IQCZKOKNBBPBGC-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084428
CC(=O)N1CCCn2nc(CNC(=O)[C@@H](C)n3nc(C)cc3C)cc2C1	PC-id_96572546,ZINC22_82096167	358.438	IQCZKOKNBBPBGC-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084429
Cn1ccc(CC(=O)N2Cc3nccn3C[C@H](CN3CCOCC3)C2)n1	ZINC22_585110684	358.438	QDYSYLOWEXJDFM-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084430
Cn1ccc(CC(=O)N2Cc3nccn3C[C@@H](CN3CCOCC3)C2)n1	ZINC22_585110685	358.438	QDYSYLOWEXJDFM-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084431
Cn1ccc(CC(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)n1	EMOLS-id_313780939,ZINC22_1565541600	358.438	FRYJXJMYPONVBQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084432
Cn1ccc(CC(=O)N2CC(CN3CCOCC3)Cn3ccnc3C2)n1	EMOLS-id_313721821	358.438	QDYSYLOWEXJDFM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084433
Cn1cnnc1[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2cnc3n2CCCCC3)C1	ZINC22_685943317,MCULE-2245214775,EMOLS-id_316114854	358.438	YRIJBSUNATVPCG-GZBFAFLISA-N	00000010100000000101100000000010000000000000000000000000	31-01-084434
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)NC1CCCC1)C2	PC-id_100033491,ZINC22_219101452	358.438	DCAWRUDFTLKECC-KRWDZBQOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084435
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)NC1CCCC1)C2	ZINC22_219101533,PC-id_100033494	358.438	DCAWRUDFTLKECC-QGZVFWFLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084436
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)C(=O)Cn1cc(C)cn1	PC-id_91922764,EMOLS-id_50590594,MCULE-1472950183	358.438	IMTBDCHOIMRGLE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-084437
CNc1cc(ccn1)C(=O)N1CCCn2nc(cc2C1)C(O)CN(C)C	PC-id_91783579,EMOLS-id_55670169,MCULE-1543432592	358.438	UVLPDWNUBVGBLO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084438
CNc1cc(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)ccn1	ZINC22_222449240,PC-id_100097203	358.438	UVLPDWNUBVGBLO-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084439
CNc1cc(C(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)ccn1	ZINC22_222449294,PC-id_100097206	358.438	UVLPDWNUBVGBLO-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084440
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CCc2nn(C)c(=O)n2C1	ZINC22_299789422	358.438	ZXNHTCBYKUBFEK-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084441
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CCc2nn(C)c(=O)n2C1	ZINC22_299789424	358.438	ZXNHTCBYKUBFEK-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084442
CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCCc1nc(C2CC2)no1	MCULE-4144089475,EMOLS-id_177482814,ZINC22_584900368	358.438	UYHAWGQXQNJLNJ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-084443
CN(Cc1n[nH]c2CCCCCc12)C(=O)C1CCc2nn(C)c(=O)n2C1	EMOLS-id_68911839,MCULE-5479716860,PC-id_118780760	358.438	ZXNHTCBYKUBFEK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084444
CN(CCc1noc(C2CC2)n1)C(=O)CCc1cc2n(n1)CCCNC2	MCULE-7779544978,EMOLS-id_43097919,ZINC22_72420986,PC-id_70728649	358.438	NLCHDQQHKQZXIP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-084445
CN(C)C(=O)NCc1ncn2c1CN(C(=O)CCc1ccc[nH]1)CCC2	ZINC22_1565554710,EMOLS-id_313733085	358.438	XUZGMRYAEWABHQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-084446
CN=C(Nc1ccc(c(c1)OC)OC)NCc1nnc2n1CCCCC2	PC-id_109570169	358.438	UKDKFKKPEFSOSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084447
COc1ccc(cc1OC)CN=C(NCc1nnc2n1CCCCC2)N	PC-id_111031944	358.438	GNMUTLGHGRTVKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084448
COc1ccc(cc1OC)NC(=NCCc1nnc2n1CCCCC2)N	PC-id_111039171	358.438	DTADIOAMEASJQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084449
COc1cccc(NC(=O)N[C@H](c2nnc3n2CCNCC3)C(C)C)c1	ZINC22_67854739	358.438	JJBUBYBFUYQCNL-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084450
COc1cccc(NC(=O)N[C@@H](c2nnc3n2CCNCC3)C(C)C)c1	ZINC22_67854741	358.438	JJBUBYBFUYQCNL-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084451
COC1CCN(C1)Cc1cn(nc1C(=O)N1CCCc2c(C1)c[nH]n2)C	EMOLS-id_316124318,MCULE-4126364565	358.438	MZXYOODGHNUPCC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084452
COC1(CC(=O)N2CCCn3cnc(Cn4nncc4C)c3C2)CCC1	ZINC22_1565546056,EMOLS-id_313732828	358.438	RSKWIONVHIJBPG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-084453
COc1cnccc1C(=O)N1CCCn2c(CN(C)C(C)C)nnc2C1	EMOLS-id_313729235,ZINC22_2055714873	358.438	WAIIUUJAGZSCDQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084454
CO[C@H]1CCN(Cc2cn(C)nc2C(=O)N2CCCc3n[nH]cc3C2)C1	ZINC22_952888200	358.438	MZXYOODGHNUPCC-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084455
CO[C@@H]1CCN(Cc2cn(C)nc2C(=O)N2CCCc3n[nH]cc3C2)C1	ZINC22_952888201	358.438	MZXYOODGHNUPCC-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084456
o1c(nnc1C=CC(=O)NCCCc1n2CCCCCc2nn1)C(C)C	MCULE-8404733527,EMOLS-id_300750141,PC-id_71913887	358.438	RRZONBUAMFHGIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084457
O=C(c1ccc[nH]1)N1CCCn2nnc(COCCN3CCCC3)c2C1	PC-id_97405212,EMOLS-id_46181779,ZINC22_96084385	358.438	ZKUQYESTDZYBGY-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-084458
O=C([C@H]1NCCCCCCn2cc(C1)nc2)NC(=O)n1nc(cc1C)C	SCHEMBL9250911,PC-id_67805811	358.438	ACJLWASERAPPCA-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084459
O=C(Cn1nc2n(c1=O)CCCCC2)NC(c1cc2n(n1)CCCC2)C	EMOLS-id_319364482	358.438	YPQHSESGXJAYRX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084460
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(onc1C)C	PC-id_46691880	358.438	BGNVBJUSFJOOSO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084461
O=C(NC1CC(C)(C)Cc2c1cc(o2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102170096	358.438	QCASEKSQDDDKRX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084462
O=C(NCc1n2CCCCCc2nn1)N(CCOC)Cc1cccnc1	PC-id_60234797	358.438	YFQSYQCXODCTCF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084463
O=C(NCc1nn2CCCN(Cc2c1)CC(C)C)C1C(=O)N=C(N=C1)C	PC-id_77843260	358.438	NPCXZSGTRZBYGZ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-084464
O=C(NCc1nn2CCCN(Cc2c1)CCC)CC1C(=O)N=C(N=C1)C	PC-id_77899301	358.438	JFIGADYGFKWZPK-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-084465
O=C(NC(=O)n1nc(cc1C)C)C1NCCCCCCn2cc(nc2)C1	PC-id_77358785	358.438	ACJLWASERAPPCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084466
c1cncc(Cc2nnc3n2CCN(Cc2cc4ccccc4[nH]2)CC3)c1	MCULE-5631219091,EMOLS-id_232806286,PC-id_56883623,ZINC22_72126321	358.44	TWQDWEWHSXNYCD-UHFFFAOYSA-N	00000000100000101101000001100010000000000000000000000000	31-01-084467
n12CCCCCc1nnc2/C(=C/c1c(n(nc1C)c1ccccc1)C)/C#N	PC-id_27115470	358.44	XXCKMCRTEQKTHS-GHRIWEEISA-N	00000000100000110101100000000010000000000000000000000000	31-01-084468
n12CCCCCc1nnc2C(=Cc1c(n(nc1C)c1ccccc1)C)C#N	PC-id_74519856	358.44	XXCKMCRTEQKTHS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084469
N#Cc1ccccc1CN1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_306125034	358.44	CFEPCFUUCFDRJB-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-084470
N#Cc1ccccc1CN1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_306125035	358.44	CFEPCFUUCFDRJB-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-084471
N#Cc1ccccc1CN1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_55730667	358.44	CFEPCFUUCFDRJB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-084472
c1(cn(nn1)CCC1CCCCN1)C(=O)N1CCn2c(CC1)nnc2C	MCULE-9986294854,EMOLS-id_43588887,PC-id_70760605	358.441	HFYMUSURJNDAJR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084473
c1(cn(nn1)CCN1CCNCC1)C(=O)N1CCCn2nc(C)cc2C1	MCULE-6081668277,ZINC22_77319657,PC-id_70714386,EMOLS-id_43560291	358.441	LHCMPCKYRVYWAZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084474
c1(C(=O)NCc2nnc3CCCCCn23)cn(nn1)[C@H]1CC[C@H](CC1)N	EMOLS-id_43571539,MCULE-3411766980,ZINC22_244690882	358.441	IYNUTYNUHKEIMT-BETUJISGSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084475
Cc1cnnn1Cc1nnn2c1CN(C(=O)CN1CCCCC1)CCC2	ZINC22_1565555151,EMOLS-id_313729753	358.441	UOOZNGQMLIUGOW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084476
Cc1nnc2n1CCN(C(=O)c1cn(CC[C@@H]3CCCCN3)nn1)CC2	ZINC22_77459859,PC-id_96400936	358.441	HFYMUSURJNDAJR-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084477
Cc1nnc2n1CCN(C(=O)c1cn(CC[C@H]3CCCCN3)nn1)CC2	ZINC22_77459863,PC-id_96400937	358.441	HFYMUSURJNDAJR-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084478
CCC(c1nnc2n1CCCCC2)NC(=O)N1CCn2c(C1C)nnc2	EMOLS-id_100339638	358.441	GBPDRSIERYSMTH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084479
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1nn2c(n1)CCCC2	EMOLS-id_101452606	358.441	IGPSMRIHJOXCBX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084480
CCn1ccnc1C1CCCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102169030	358.441	YMMKVJOXFZAKST-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084481
O=C(N1CCC(CC1)Cn1ncnc1)NCc1nnc2n1CCCCC2	EMOLS-id_100516616	358.441	NSLYCGKYGCFQFA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084482
O=C(N1CCCC(C1)n1ccnn1)NCCc1nnc2n1CCCCC2	EMOLS-id_102193051	358.441	YDURXQPESUIKEE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084483
O=C(NC1CCc2n(C1)nc(n2)C)NCCc1nnc2n1CCCCC2	EMOLS-id_98108402	358.441	LYIJHYCDNHPYFA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084484
O=C(Nc1cc(n(n1)C1CCCCC1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102018295	358.441	QNZGRYDUGXUHJF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084485
O=C(NCc1n2CCCCCc2nn1)c1nnn(C2CCC(N)CC2)c1	PC-id_70732551	358.441	IYNUTYNUHKEIMT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084486
O/C(=N/Cc1nnc2n1CCCCC2)/N1CCC(Cn2ccnn2)CC1	EMOLS-id_97855227,ZINC22_328832687,MCULE-9426240736	358.441	VXXXDYOWECAADG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084487
s1c2CCCCCc2cc1C(=O)OCc1c(OC)ccc(c1)C(=O)C	PC-id_7351984	358.451	IPAVOYBWOZVTMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084488
s1c2CCCCCCc2cc1C(=O)OCC(=O)c1cc(OC)ccc1	PC-id_18274416	358.451	HGJYHVWAEGIKEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084489
s1c(c2CCCC(C(C)C)C(=O)c2c1Oc1cc2OCOc2cc1)C	PC-id_59089068	358.451	WWMBOLKTMFQUGR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084490
c12CN(CCC)CCCn1nc(CNC(=O)CCc1ccccc1F)c2	ZINC22_82138375,PC-id_70768564,MCULE-8419241418,EMOLS-id_44445847	358.453	JUJVUEDGMXXJKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084491
c12CN(CCCn1nc(CN1CCOCCC1)c2)Cc1ccccc1F	EMOLS-id_43148150,ZINC22_72153214,PC-id_56906157,MCULE-1127792267	358.453	WMKQXTFHPKLUEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084492
c12CN(CCCn1nc(CNC(=O)c1cc(F)ccc1C)c2)CC(C)C	ZINC22_82157689,PC-id_70780894,EMOLS-id_44450083,MCULE-7807129285	358.453	GJESARYKXCVKID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084493
Cc1c(ccc(c1)F)CC(C)NC(=O)N1Cc2c(CC(C1)(C)C)[nH]nc2	MCULE-8709114022,PC-id_136552877,EMOLS-id_316875758	358.453	IPIDNOBUDQJZHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084494
Cc1ccc(C(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)cc1F	PC-id_97519324,ZINC22_96259240,EMOLS-id_44370026	358.453	VWTJLEZZYVTDPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084495
Cc1cc(F)ccc1C[C@@H](C)NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1	ZINC22_663214424	358.453	IPIDNOBUDQJZHM-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084496
CC1(C)CO[C@H](c2cccc(F)c2)CN1Cc1nnc2n1CCCCC2	ZINC22_661736653	358.453	RYMZXSBNMKJTIE-KRWDZBQOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084497
CC1(C)CO[C@@H](c2cccc(F)c2)CN1Cc1nnc2n1CCCCC2	ZINC22_661736654	358.453	RYMZXSBNMKJTIE-QGZVFWFLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084498
CCC(c1nnc2n1CCCCC2)NC1CCc2c1ccc(c2F)OC	EMOLS-id_318101360	358.453	BRTMSJIVVQAARN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084499
CC(C)CCNC(=O)c1cnc2n1CCN(CC2)Cc1ccccc1F	PC-id_134810226	358.453	SPZJYKKHEVCKEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084500
CC(C)N(C)Cc1ncn2c1CN(C(=O)Cc1ccc(F)cc1)CCC2	ZINC22_96259239,EMOLS-id_44370024,PC-id_97519323	358.453	HQJGBRXNZLSQFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084501
CCN(CC)CC1CN(Cc2ccnn2C1)C(=O)Cc1ccccc1F	EMOLS-id_50371907	358.453	QHGGZLUDVRJMGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084502
CCN(CC)C[C@H]1CN(C(=O)Cc2ccccc2F)Cc2ccnn2C1	ZINC22_248260439	358.453	QHGGZLUDVRJMGR-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084503
CCN(CC)C[C@@H]1CN(C(=O)Cc2ccccc2F)Cc2ccnn2C1	ZINC22_248260443	358.453	QHGGZLUDVRJMGR-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084504
CN(C(C)C)Cc1ncn2c1CN(CCC2)C(=O)Cc1cccc(c1)F	PC-id_97405445	358.453	AJDZVNNUFQCHFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084505
Fc1cccc(c1)C1OCC(N(C1)Cc1nnc2n1CCCCC2)(C)C	EMOLS-id_316924631,MCULE-9074101586	358.453	RYMZXSBNMKJTIE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084506
Fc1ccc(cc1)CC1(CCOCC1)NCc1nnc2n1CCCCC2	EMOLS-id_318269593	358.453	VRXYDQVSGMVSRY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-084507
Fc1ccc(cc1)C(C(C)(C)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318170711	358.453	GSLQZJALPKLRCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084508
c12N(CCCCc1cc(C(=O)Nc1ccc3c(OCO3)c1)s2)CCC	MCULE-6848843199,EMOLS-id_168571926	358.455	JVRHKIOXXZGKCI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-084509
c1(c2CCCCCc2sc1NC(=O)c1cccnc1)C(=O)OC(C)C	CoCoCo_742383,MCULE-1042967681,ZINC22_1218445,PC-id_1371560,EMOLS-id_1991886,ChEMBL-DNDi_CHEMBL6123370	358.455	NLOFYIDNMBVIDT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-084510
c1(c2CCCCCCc2sc1NC(=O)c1ccco1)C(=O)NC1CC1	BindingDB-id_95907,PC-id_2225369,MCULE-6307997249,EMOLS-id_2042812,BindingDB_PC-id_2225369,CHEMBL1495619,TIMTEC517474,CoCoCo_542519,ZINC22_2872730,CHEBI:108165	358.455	WAXNSAUEGUCFGA-UHFFFAOYSA-N	00100000101000000100000000000010000000000000000000000000	31-01-084511
c1(NC(=O)C2C3CCC(C3)C2C(=O)O)sc2c(CCCCC2)c1C#N	MCULE-9594971927,PC-id_17373882,EMOLS-id_4036389,TIMTEC86664	358.455	BUFIZIKZFCQXPW-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-084512
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCCCCC2)c1C#N	BindingDB_PC-id_3658937,MCULE-6300586146,SPECS-id_AK-968/37171093,CHEMBL1444370,EMOLS-id_4036385,ChEMBL-DNDi_CHEMBL1444370,TIMTEC77137,PC-id_3658937,BindingDB-id_113264	358.455	BJRKVCNTDTWVOA-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-084513
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_1773252,CoCoCo_5014628,PC-id_4095790,ZINC22_4176862,TIMTEC582658,MCULE-4413653313	358.455	YVRKFABVYMHXHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084514
c1(NC(=O)c2ccccc2OCC)sc2c(CCCCC2)c1C(=O)N	ZINC22_5476006,TIMTEC288018,CoCoCo_6822241,PC-id_4229226,MCULE-2356405662,EMOLS-id_4036387	358.455	LKVSLWONFJMCDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084515
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)NC	MCULE-2695474228,ZINC22_5055766,EMOLS-id_32180109,PC-id_7475060	358.455	KBXUSPDEKUAQOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084516
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCCCCC2)c1C(=O)N	MCULE-6325697527,CoCoCo_6827924,ZINC22_6127775,TIMTEC116677,EMOLS-id_4036337,PC-id_3533817	358.455	DBWDHMRNYOTEDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084517
c1(NC(=O)c2ccccc2OC)sc2c(CCCCCC2)c1C(=O)N	PC-id_1008842,GD-id_ZINC00668601,CoCoCo_5819542,MCULE-3345100836,SCHEMBL4136987,EMOLS-id_4036377,ZINC22_668601	358.455	HEUZLSCDYXDLSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084518
c1(NC(=O)c2cccc(C)c2OC)sc2c(CCCCC2)c1C(=O)N	SPECS-id_AP-970/42446110,CoCoCo_359765,EMOLS-id_1491101,GD-id_ZINC00804962,MCULE-2570073844,PC-id_1087119,BAS-07004961,ZINC22_804962,SPECS-id_AN-153/I212426	358.455	JJJFQVGJQSITNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084519
c1(NC(=O)c2cccc(OC)c2)sc2c(CCCCCC2)c1C(=O)N	GD-id_ZINC00689172,TIMTEC175308,EMOLS-id_2194862,ZINC22_689172,MCULE-9258587642,PC-id_1023110,SPECS-id_AK-968/40732547,CoCoCo_894784	358.455	GPHHSQRGMQSNGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084520
c1(NC(=O)c2cccnc2)sc2c(CCCCC2)c1C(=O)OCCC	SPECS-id_AK-968/41926467,TIMTEC212497,MCULE-2384712906,ZINC22_2767623,EMOLS-id_2445650,CoCoCo_906263,PC-id_2168634	358.455	IEZRTHDCCJNBFR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-084521
c1(NC(=O)c2ccncc2)sc2c(CCCCC2)c1C(=O)OCCC	EMOLS-id_2441906,ZINC22_2767273,TIMTEC386606,MCULE-8133929873,CoCoCo_899381,PC-id_2168563	358.455	PQXLPMDDJVSHDR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-084522
c1(NC(=O)c2ccncc2)sc2c(CCCCCC2)c1C(=O)OCC	ZINC22_2764669,EMOLS-id_2195606,PC-id_2168187,CoCoCo_896020,MCULE-7693556169,TIMTEC468244	358.455	TXZPDDCSSWKOSW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-084523
c1(NC(=O)C=Cc2ccc(cc2OC)OC)sc2c(CCCCC2)n1	MCULE-5734053121	358.455	UVUONEWJSLXISR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084524
c1(NC(=O)C=Cc2ccc(C)o2)sc2c(CCCCCC2)c1C(=O)N	PC-id_1001283,MCULE-9313798110	358.455	OJEGHKDDONVNPM-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-084525
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCCCC2)n1	MCULE-7075161097	358.455	FYMIIJHHUDTHBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084526
c1(NC(=O)C=Cc2cc(OC)ccc2OC)sc2c(CCCCC2)n1	MCULE-8931320185	358.455	RIHZEYOKZAKOBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084527
c1(NC(=O)COc2ccccc2C)sc2c(CCCCC2)c1C(=O)N	ZINC22_4739332,MCULE-6839025235,PC-id_7341269,EMOLS-id_1774924,CoCoCo_6224054,SPECS-id_AN-153/I212429,SPECS-id_AP-970/42446117	358.455	QTKRZOZWCHPJGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084528
c1(NC(=O)COc2ccccc2OCC=C)sc2c(CCCCC2)n1	EMOLS-id_334603896,MCULE-4258082776	358.455	KNMQITXIOIQDLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084529
c1(NC(=O)COc2ccccc2)sc2c(CCCCC2)c1C(=O)NC	PC-id_7475121,MCULE-4535884949,CoCoCo_5058699,EMOLS-id_5523575,ZINC22_5055846	358.455	LHRNUVYSDWIEEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084530
COc1ccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)c(OC)c1	EMOLS-id_334603381	358.455	UVUONEWJSLXISR-PKNBQFBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084551
c1(NC(=O)COc2ccccc2)sc2c(CCCCCC2)c1C(=O)N	TIMTEC564354,MCULE-3373740601,PC-id_1011026,CoCoCo_5821966,SPECS-id_AK-968/13030015,ZINC22_671494,EMOLS-id_4036333	358.455	YBIKTNMAVWIFFF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084531
c1(NC(=O)COc2cccc(C)c2)sc2c(CCCCC2)c1C(=O)N	PC-id_4083641,ZINC22_2764516,CoCoCo_6782308,MCULE-3930812384,EMOLS-id_1775196,TIMTEC314725	358.455	MOSLFUSYCFIPGG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084532
c1(NC(=O)Nc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_695420,MCULE-6714169731,CoCoCo_6800961,EMOLS-id_4036399,TIMTEC299858,PC-id_1028043	358.455	LYEWOJDPFQGQBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084533
c1(NC(=O)Nc2ccccc2)sc2c(CCCCCC2)c1C(=O)OC	PC-id_1027775,EMOLS-id_4036397,SPECS-id_AK-968/40291550,CoCoCo_6799533,ZINC22_694933,TIMTEC148411,MCULE-3643490586	358.455	FLGBAPKSXVYEOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084534
Cc1ccc(cc1)C(=O)/N=c/1sc2c(n1C(C(=O)O)C)CCCCC2	PC-id_71537013,SCHEMBL14807983	358.455	ARLJMHGESKJMMM-VXPUYCOJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084535
Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N)CCCCCC3)o1	SPECS-id_AK-968/41926345,PC-id_1001284,GD-id_ZINC00656901,TIMTEC356376,EMOLS-id_25952070,ZINC22_656901,CoCoCo_906693	358.455	OJEGHKDDONVNPM-ZHACJKMWSA-N	00000000101000000100000000000010000000000000000000000000	31-01-084536
Cc1ccc(o1)/C=CC(=O)Nc1sc2c(c1C(=O)N)CCCCCC2	CoCoCo_906694	358.455	OJEGHKDDONVNPM-KHPPLWFESA-N	00000000101000000100000000000010000000000000000000000000	31-01-084537
Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	ZINC22_32125197,PC-id_20166082	358.455	NFCXFGHJLLKCDL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084538
CCC(=O)c1ccc(OCC(=O)Nc2nc3c(s2)CCCCC3)cc1	PC-id_45864703,ZINC22_12828608,EMOLS-id_30242430,MCULE-5841707993	358.455	QSPSDSZSBNOWQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084539
CC(C(=O)NCc1ccc(cc1)C(=O)O)N1CCCc2c(C1)ccs2	PC-id_136550472,MCULE-4174622720,EMOLS-id_316900536	358.455	ICKXWYKXDIXOJL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084540
C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCCc2sccc2C1	ZINC22_652410902	358.455	ICKXWYKXDIXOJL-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084541
C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCCc2sccc2C1	ZINC22_652410903	358.455	ICKXWYKXDIXOJL-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084542
C/C(=NNC(=O)c1cc2c(s1)CCCCC2)/c1c(cc(cc1)OC)O	PC-id_135731448	358.455	QRKUWGGJXXHZSU-UDWIEESQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084543
C/C(=NNC(=O)c1cc2c(s1)CCCCC2)/c1c(ccc(c1)OC)O	PC-id_135731458	358.455	JWHXZQSUMZAXES-UDWIEESQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084544
CCOc1c(ccc(c1)/C=N/NC(=O)c1cc2c(s1)CCCCC2)O	PC-id_135731453	358.455	CGKYAJKLQDWXJR-UDWIEESQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084545
CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1	ZINC22_6950316,PC-id_20166064	358.455	XGHFZURDTLXZCD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084546
COc1ccccc1CC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	CoCoCo_3250486,ZINC22_14076855,PC-id_17435344,MCULE-8701049290,EMOLS-id_12017163	358.455	GSNVFJNQWOBPGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084547
COc1cccc(c1)CC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	SCHEMBL8288681,PC-id_16911467	358.455	LKOPFJCWYUAHFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084548
COc1ccc(cc1NC(=O)c1sc2c(c1)CCCCCC2)C(=O)N	GD-id_ZINC44699485	358.455	UUAAIQHJKUVQEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084549
COc1ccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)cc1OC	EMOLS-id_334604917	358.455	FYMIIJHHUDTHBJ-PKNBQFBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084550
COc1ccc(NC(=O)c2c(NC(=O)C)sc3c2CCCCC3)cc1	CoCoCo_1953012,PC-id_1107218,ChEMBL-DNDi_CHEMBL8010-3284,ZINC22_837672,MCULE-5493101254	358.455	QZPWLKSCVCPYBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084552
COc1ccc(NC(=O)C)cc1NC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3324712,PC-id_7998843,EMOLS-id_2877550,ZINC22_6553148,MCULE-7150476947	358.455	FVGNCJXYYWUBSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084553
COc1ccc(NC(=O)CNC(=O)c2cc3c(s2)CCCCC3)cc1	EMOLS-id_324058673,ZINC22_1875320855,PC-id_146096981,MCULE-5252147351	358.455	NDPPJYFFHXSUPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084554
COc1ccc(OC)c(/C=C/C(=O)Nc2nc3CCCCCc3s2)c1	EMOLS-id_334605689	358.455	RIHZEYOKZAKOBV-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084555
COCC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1	PC-id_71898439,MCULE-6626027508,EMOLS-id_44524780,ZINC22_44632066	358.455	LGFRHDCLEBWGGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084556
N#Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCC2	PC-id_1022819,CoCoCo_6785323,ZINC22_4646566	358.455	BJRKVCNTDTWVOA-KBPBESRZSA-N	00000000100011000100000000000010000000000000000000000000	31-01-084557
N#Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCC2	PC-id_7308723,CoCoCo_6785321,ZINC22_4646565	358.455	BJRKVCNTDTWVOA-KGLIPLIRSA-N	00000000100011000100000000000010000000000000000000000000	31-01-084558
N#Cc1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_4646567,PC-id_1022818,CoCoCo_6785324	358.455	BJRKVCNTDTWVOA-ZIAGYGMSSA-N	00000000100011000100000000000010000000000000000000000000	31-01-084559
N#Cc1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_4646568,PC-id_7308721,CoCoCo_6785322	358.455	BJRKVCNTDTWVOA-UONOGXRCSA-N	00000000100011000100000000000010000000000000000000000000	31-01-084560
N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	PC-id_100881298,ZINC22_229985520	358.455	BUFIZIKZFCQXPW-KUDNYVPYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-084561
N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_98293031,ZINC22_102246441	358.455	BUFIZIKZFCQXPW-QMMBQJITSA-N	00000010100010000100000000000110000000000000000000000000	31-01-084562
N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_102246445,PC-id_98293032	358.455	BUFIZIKZFCQXPW-GREKMHCPSA-N	00000010100010000100000000000110000000000000000000000000	31-01-084563
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N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_6808993	358.455	BUFIZIKZFCQXPW-TZCMFKBTSA-N	00000010100010000100000000000110000000000000000000000000	31-01-084566
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s1c2CCCCCc2cc1C(=O)N([C@H](c1cc([N+](=O)[O-])ccc1)C)C	PC-id_8198450	358.455	ZETXNBDAFSOMTR-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084579
s1c2CCCCCc2cc1C(=O)N([C@@H](c1cc([N+](=O)[O-])ccc1)C)C	PC-id_8198452	358.455	ZETXNBDAFSOMTR-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084580
s1c2CCCCCc2cc1C(=O)NNC(=C1C=C(OC)C=CC1=O)C	PC-id_8159740	358.455	CUOUJLIZSAETAX-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-084581
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(OC)cc(OC)c1	PC-id_78620787	358.455	OAQLWTNKWJCRPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084582
s1c2CCCCCc2cc1C(=O)NNC=C1C=C(OCC)C(=O)C=C1	PC-id_8159682	358.455	UHYOEQQEFAAMBP-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-084583
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(OC)c(OC)cc1	PC-id_78620823	358.455	QDASASSHENBNQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084584
s1c2CCCCCc2cc1C(=O)NNC(=C1C(=O)C=C(OC)C=C1)C	PC-id_8159624	358.455	RLZPMVRFMHTVFY-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-084585
s1c2CCCCCc2cc1C(=O)NN=Cc1c(OC)c(OC)ccc1	PC-id_78620821	358.455	ZBJDIXPOOYMZND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084586
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(cc1)COC	PC-id_8624148	358.455	SHWBLALKSUZLIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084587
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(ccc1OC)C	PC-id_9163638	358.455	BYZJCCWGFMOGPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084588
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(COC)ccc1	PC-id_24554087	358.455	COIDSFGKNNXVJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084589
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(OCC)cc1	PC-id_34035430	358.455	KVWQCDPWNBCYAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084590
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(cc1)C	PC-id_9092557	358.455	XISXHVZQVSKCPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084591
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1ccc(OC)cc1	PC-id_34035398	358.455	TVPPQXMHHHVOIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084594
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1cc(OC)ccc1	PC-id_34035681	358.455	RICOWIQYBZCICD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084595
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1c(OC)cccc1	PC-id_31845289	358.455	OTEPCFRKHPQGST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084596
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1c(cccc1)C	PC-id_26778444	358.455	LEWPNVDWCBNEJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084597
s1c2CCCCCc2cc1C(=O)NNC(=O)C(Oc1ccccc1)C	PC-id_43004231	358.455	FVSFBOPUIMTVOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084598
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1cc(ccc1)C	PC-id_7600996	358.455	NQQSSKWROCJKMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084599
s1c2CCCCCc2cc1C(=O)NNC(=O)C(OC)c1ccccc1	PC-id_60453602	358.455	DAKZAWGUWYGVCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084600
s1c2c(CCCCC2)c(c1NC(=O)c1ccncc1)C(=O)OC(C)C	PC-id_3362888	358.455	UUEFHTDPXJLWHJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-084601
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)ccc1)C(=O)NC	PC-id_7475059	358.455	VRWIMIKECVRTEQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084602
s1c2c(CCCCC2)c(c1NC(=O)c1c(nc(cc1)C)C)C(=O)OC	PC-id_55872813	358.455	NAVXERCJGOCAPZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-084603
s1c2c(CCCCC2)c(c1NC(=O)c1c(OC)cccc1)C(=O)NC	PC-id_7475100	358.455	CIVRAEUVFXKFOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084604
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(OC)cc1)C(=O)N	PC-id_5090843	358.455	JMIACHGBAGWJFI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084605
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](OC)c1ccccc1)C(=O)N	PC-id_52434297	358.455	JANZGESVLHUHBL-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084606
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s1c2c(CCCCC2)c(c1NC(=O)C(OC)c1ccccc1)C(=O)N	PC-id_75846928	358.455	JANZGESVLHUHBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084609
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s1c2CCCCCc2nc1NC(=O)c1cc(OC)c(OCC=C)cc1	PC-id_24611796	358.455	SHTSKCANQYYUON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084612
s1c2CCCCCc2nc1NC(=O)/C=C/c1c(OC)c(OC)ccc1	PC-id_16605131	358.455	KGAOGCJDAIHCBW-VAWYXSNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084613
s1c2CCCCCc2nc1NC(=O)C=Cc1c(OC)c(OC)ccc1	PC-id_73279189	358.455	KGAOGCJDAIHCBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084614
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CC(C)C[C@@H](O)C(=O)NCc1cc2n(n1)CCCN(S(=O)(=O)C)C2	PC-id_96579118,ZINC22_82137505	358.456	FQZYPAXKVZYIDJ-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084624
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C1CCc2c(CC1)sc(c2)C(=O)NC1CC(C1)c1cc(=O)nc([nH]1)N	PC-id_91786191	358.458	FLYVZLACQMZYRD-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-084658
c1([C@@H]2C[C@@H](C2)NC(=O)c2cc3c(CCCCC3)s2)cc(=O)[nH]c(N)n1	EMOLS-id_55677647,MCULE-1994597710,ZINC22_253535570	358.458	FLYVZLACQMZYRD-TXEJJXNPSA-N	00001000100000100101100000000010000000000000000000000000	31-01-084659
c1(C(O)C2CC2)cc2n(CCCN(C2)C(=O)c2cccnc2SC)n1	EMOLS-id_50540141,PC-id_90651249,MCULE-5590941710	358.458	QOFRLOJDRRGVAL-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-084660
c1(NC(=O)CCC(=O)NCc2ccccn2)sc2c(CCCCC2)n1	MCULE-4735411094,EMOLS-id_334941175	358.458	WZWZWOWATBHMLO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084661
c1(NC(=O)CCC(=O)NCc2cccnc2)sc2c(CCCCC2)n1	MCULE-9022830521,EMOLS-id_334942716	358.458	ZSFBXFWOTIADQO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084662
c1(NC(=O)CCC(=O)NCc2ccncc2)sc2c(CCCCC2)n1	MCULE-1455724572,EMOLS-id_334952946	358.458	UGEMVRXLFHHHFD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084663
Cc1noc(C)c1N(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_50330496,ZINC22_81602296,PC-id_96569557,MCULE-8953870359	358.458	XMRJEGSJGJPBJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084664
Cc1sc2n(c1)c(c(n2)C)CN(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_101028859	358.458	AUUHPQHFBGRSFX-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-084665
CCc1ccc(cn1)C(=O)N1CCc2nc(sc2CC1)C(=O)N(C)C	EMOLS-id_313791796,ZINC22_1565555491	358.458	IXZIPVXBYNZYEF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084666
CCCCNc1nc2c(s1)C(=O)N(CC(=O)N2Cc1ccccc1)C	PC-id_142739061	358.458	OWGGDQZDTWYMAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084667
CCCCNc1sc2c(n1)N(C)C(=O)CN(C2=O)Cc1ccccc1	PC-id_142739051	358.458	HCDVQNQSIRJITE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084668
CC(C)CNC(=O)c1nc2CCN(CCc2s1)C(=O)c1cccnc1	EMOLS-id_44303918,PC-id_97442499,ZINC22_96146975	358.458	KSYNSVONYPSARZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084669
CC(C)CNC(=O)c1nc2CCN(CCc2s1)C(=O)c1ccncc1	PC-id_97442498,ZINC22_96146974,EMOLS-id_44303916	358.458	ACRFDYQLFCKNMT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084670
CC(C)NC(=O)N1CCc2nc(C(=O)Nc3ccccc3)sc2CC1	EMOLS-id_44303740,PC-id_97442410,ZINC22_96146886	358.458	WRERNMOWYZFORH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084671
CCNc1nc2c(s1)C(=O)C(CCC2)C(=O)c1cnc(cc1)N(C)C	PC-id_91354164	358.458	OUNFPKNVOORNLF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084672
CCN(CC)c1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625523	358.458	ODQANBCUQNZFID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084673
CCN(C)C(=O)c1cnn2c1CN(C(=O)/C=C/c1cccs1)CCC2	ZINC22_1565544058,EMOLS-id_313768128	358.458	BJXAAZYLKAJSFA-BQYQJAHWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-084674
CCN(C(=O)c1nc2c(s1)CCN(CC2)C(=O)c1ccncc1)CC	PC-id_97524739	358.458	XPPIVLMXAYRCCU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084675
Cn1cc(N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2=O)cn1	ZINC22_177845627,EMOLS-id_100653899,MCULE-4503362830	358.458	CUUCIYRLCTTWAI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084676
CSc1ncccc1C(=O)N1CCCn2nc([C@H](O)C3CC3)cc2C1	PC-id_100065802,ZINC22_221185793	358.458	QOFRLOJDRRGVAL-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-084677
CSc1ncccc1C(=O)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	PC-id_100065803,ZINC22_221185856	358.458	QOFRLOJDRRGVAL-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-084678
N#Cc1c(NC(=O)CN2CC(=O)N(C2)C2CC2)sc2c1CCCCC2	EMOLS-id_101260126	358.458	OCEUDNBRQIOVFH-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-084679
N#CC1OCCN(C1)C(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	EMOLS-id_111825931	358.458	CDBCQNXDPCUYEG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084680
O=C1CCCN1Cc1ncn2c1CN(CCC2)C(=O)c1sccc1C	PC-id_97413592	358.458	WYVCIGYBACWUCL-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-084681
O=C1CCCN1Cc1ncn2c1CN(C(=O)Cc1cccs1)CCC2	PC-id_97519438,ZINC22_96259354,EMOLS-id_44370256	358.458	ZJZOZNRQXHFDLW-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-084682
O=C1CCCN1Cc1ncn2c1CN(C(=O)Cc1ccsc1)CCC2	ZINC22_96259355,EMOLS-id_44370258,PC-id_97519439	358.458	IEBCNKUXWZVQND-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-084683
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1cccnc1N(C)C	MCULE-3526196423,PC-id_71889182,EMOLS-id_44542058	358.458	UCVZJDPHTXDKQM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-084684
O=C(c1cccnc1N1CCOCC1)Nc1nc2c(s1)CCCCC2	PC-id_95907146	358.458	QUBFYUPCTZAUIN-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-084685
O=C(c1nc2c(s1)CCN(Cc1ccccn1)CC2)N1CCOCC1	ZINC22_96187591,EMOLS-id_44325483,PC-id_97462049	358.458	RCIBWJGTVWUAJD-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-084686
O=C(c1nc2c(s1)CCN(Cc1ccncc1)CC2)N1CCOCC1	EMOLS-id_46160337,ZINC22_96066735,PC-id_97389075	358.458	OEYZKZMFJKQTKM-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-084687
O=C(c1nccc(c1)N1CCOCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98816812	358.458	RUGMJJNZCKBRMI-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-084688
O=C(Cn1cc(NC(=O)c2cc3c(s2)CCCCC3)cn1)NC1CC1	EMOLS-id_33358903,PC-id_51123028,ZINC22_58419125,MCULE-3181009662	358.458	AKJHYWSRYBGGHP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-084689
O=C(N1CCc2c(C1)ccs2)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318018044	358.458	CFBLPFKFDSHJHY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084690
O=C(NC1CN(C(=O)Cc2cc[nH]n2)C1)c1cc2c(s1)CCCCC2	ZINC22_1875338550	358.458	BGTTYGIZQSNTEF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-084691
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(N2CCOCC2)nc1	PC-id_45864717,EMOLS-id_30242448,MCULE-2884379297,ZINC22_40034670	358.458	VFSPKELICFLCEZ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-084692
O=C(Nc1nc2c(s1)CCCCC2)c1c[nH]c(C(=O)N2CCCC2)c1	ZINC22_48326234,PC-id_47053231,EMOLS-id_32026018,MCULE-1744854266	358.458	KGJLXDPKYMFTPF-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-084693
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccccc1)C)CCOC	PC-id_74803777	358.458	VGSMCPMYQGWHHC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-084694
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1oc(cc1)CC)C)C1CC1	PC-id_74801030	358.458	PPGWIQCWKRMONQ-UHFFFAOYSA-O	00100000101000000101000000000010000000000000000000000000	31-01-084695
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccccc1)C)CCOC	PC-id_42441907	358.458	VGSMCPMYQGWHHC-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-084696
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccccc1)C)CCOC	PC-id_42441913	358.458	VGSMCPMYQGWHHC-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-084697
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1oc(cc1)CC)C)C1CC1	PC-id_42406333	358.458	PPGWIQCWKRMONQ-CYBMUJFWSA-O	00100000101000000101000000000010000000000000000000000000	31-01-084698
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1oc(cc1)CC)C)C1CC1	PC-id_42406334	358.458	PPGWIQCWKRMONQ-ZDUSSCGKSA-O	00100000101000000101000000000010000000000000000000000000	31-01-084699
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1n[nH]c(C2CC2)c1	PC-id_37622171	358.458	CBEIAIBOMYKNGO-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-084700
s1c(NC(=O)C2C(C2)c2cn(nc2)C)c(c2c1CCCCC2)C(=O)N	PC-id_56111994	358.458	BOTFYFSFHAHPJO-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-084701
S(c1n2CCCCCc2nn1)C(C)C(=O)Nc1ccc(cc1)C(=O)C	PC-id_78559210	358.458	BMDRTOHUAXFQCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084702
S(c1n2CCCCCc2nn1)C(C)C(=O)Nc1cc(ccc1)C(=O)C	PC-id_78559213	358.458	DMSBCJHWNBJUIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084703
S(c1n2CCCCCc2nn1)CC(=O)c1ccc(NC(=O)CC)cc1	PC-id_7877001	358.458	SRVVGYAXEIZMFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084704
S(c1n2CCCCCc2nn1)[C@@H](C)C(=O)Nc1ccc(cc1)C(=O)C	PC-id_7876639	358.458	BMDRTOHUAXFQCC-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084705
S(c1n2CCCCCc2nn1)[C@H](C)C(=O)Nc1ccc(cc1)C(=O)C	PC-id_7876641	358.458	BMDRTOHUAXFQCC-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084706
S(c1n2CCCCCc2nn1)[C@@H](C)C(=O)Nc1cc(ccc1)C(=O)C	PC-id_7876651	358.458	DMSBCJHWNBJUIU-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084707
S(c1n2CCCCCc2nn1)[C@H](C)C(=O)Nc1cc(ccc1)C(=O)C	PC-id_7876653	358.458	DMSBCJHWNBJUIU-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084708
C1CCCc2c(CC1)c(c(s2)/N=C/c1c[nH]c2c1cc(cc2)C#N)C#N	PC-id_137224971	358.459	OKOUYDKQQSUFIU-DHRITJCHSA-N	00000000100000100100000001100010000000000000000000000000	31-01-084709
Cc1sc2n(c1)c(c(n2)C)CN(C(=O)C1CCn2c(CC1)nnc2)C	MCULE-5735570012,EMOLS-id_320260043	358.461	WYZMGEZNLCXJQW-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-084710
CN1CSC[C@H]1C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	MCULE-9317371865,EMOLS-id_46601248,PC-id_72841126,ZINC22_95353669	358.461	JUNPBGFJNLGOFS-AWEZNQCLSA-N	00000010100000101101000000000010000000000000000000000000	31-01-084711
N#Cc1c(NC(=O)C(N(Cc2nnc[nH]2)C)C)sc2c1CCCCC2	EMOLS-id_100018007	358.461	ICSXOXFFJJHKMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084712
N#CCCn1nc(cc1C)NC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101066488	358.461	WJZYDGWBXVAKHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084713
O=C(N1CCN(CC1)c1cnccn1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98010437	358.461	NKCHKCBJSHSCPF-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-084714
O=C(N1CCN(CC1)c1ncccn1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110343627	358.461	KSUGKYRRBIESAO-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-084715
c1(cc2c(CCCCC2)s1)C(=O)N1CCN(CC1)c1ccc(cc1)F	ZINC22_6979881,MCULE-8100964575,TIMTEC106663,PC-id_8127903,CoCoCo_1072767,EMOLS-id_13331270	358.473	CQPWQMPODNTVAJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084716
O(C(=O)c1ccc(/C=C/c2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1)C	PC-id_23257841	358.473	WKOPTGYVUQRHKY-UKTHLTGXSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084717
O(C(=O)c1ccc(C=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1)C	PC-id_74036491	358.473	WKOPTGYVUQRHKY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084718
O(C(=O)c1ccc(/C=C/c2c(c3-c(c(ccc(C(C)C)c3)C)c2)C)cc1)C	PC-id_23257845	358.473	RYLSENSCMLSCLM-UKTHLTGXSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084719
O(C(=O)c1ccc(C=Cc2c(c3-c(c(ccc(C(C)C)c3)C)c2)C)cc1)C	PC-id_74036494	358.473	RYLSENSCMLSCLM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084720
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)c1c(F)cccc1	PC-id_34864287	358.473	LZEHXOCRKKSWAT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084721
s1c2CCCCCc2cc1C(=O)Nc1c(N2CCCC2)cccc1F	PC-id_56452251	358.473	ZGNLLEWGZGRVFW-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-084722
c12-c(ccc1/C=C/C=C/C=C/C=C/c1c3-c(cc1)ccccc3)ccccc2	PC-id_5379407	358.474	DQQOOHHKTWPZPS-FPPPDJHPSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084723
c12-c(ccc1C=CC=CC=CC=Cc1c3-c(cc1)ccccc3)ccccc2	PC-id_632152	358.474	DQQOOHHKTWPZPS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084724
[C+](c1c2-c(c(c1)C)ccccc2)(c1c2-c(c(c1)C)ccccc2)[C]1[CH][CH][CH][CH]1	PC-id_10627731	358.474	ZVFOBJOSNFIEDU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084725
CC1=C/C(=C([C]2[CH][CH][CH][CH]2)/c2cc(c3-c2ccccc3)C)/[c+]2c1ccccc2	PC-id_135480267	358.474	ZVFOBJOSNFIEDU-SGEDCAFJSA-N	00000011100000000110000000000010000000000000000000000000	31-01-084726
CC1=C/C(=C(/[C]2[CH][CH][CH][CH]2)c2cc(c3-c2ccccc3)C)/[c+]2c1ccccc2	PC-id_135891778	358.474	ZVFOBJOSNFIEDU-BYCLXTJYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-084727
O=C1CCCCC1C1CCCCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_101041687	358.474	XUSKVVHIKABPOL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084728
Cc1cc(CC(=O)N2CCN(CC2)c2ccccc2)c2-c(c(c1)C)ccc2	PC-id_110181316	358.476	UESCSXKKTXPVLX-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-084729
C/C=CC=C(/C=C(/C#Cc1c(C#N)c2=CCC=C(C=c2n1CC)OC)C)C	PC-id_143184751	358.476	XFRLTXHSZOZPFS-CPRCKCDBSA-N	00000000100000000110000000000010000000000000000000000000	31-01-084730
N#Cc1c2-c(n(c1=O)CCCCCc1ccccc1)cc(ccc2)C(C)C	SCHEMBL9159646,PC-id_15078675	358.476	RTGHSBJXAQAJNT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084731
N#Cc1c(=O)n(c2-c1cc(ccc2)C(C)C)CCCCCc1ccccc1	SCHEMBL9155710,PC-id_15078674	358.476	YLMGZCDVDTULPG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084732
O=C(C1(CCOCC1)S(=O)(=O)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_111775234	358.476	TZHFWGJHVQHLBY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084733
O=C(c1sc2c(c1)CCCCCC2)NNC(=O)C(S(=O)(=O)C)C	PC-id_51115546,EMOLS-id_33349698,MCULE-7866256593	358.476	XFVNVQXWRGOKPC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084734
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@@H](S(=O)(=O)C)C	PC-id_52226787	358.476	XFVNVQXWRGOKPC-JTQLQIEISA-N	00000000100000000100000000000010000000000000000000000000	31-01-084735
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@H](S(=O)(=O)C)C	PC-id_52226788	358.476	XFVNVQXWRGOKPC-SNVBAGLBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084736
c12CN(CCCn1nc(CCC(=O)N1CCC(CC1)O)c2)CC#CCC	EMOLS-id_44433167,ZINC22_82107324,MCULE-5724316709,PC-id_70732257	358.478	VKGPMZBKJYNABV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084737
c12CN(CCCn1nc(CCC(=O)NC1CCCC1)c2)C(=O)CC=CC	PC-id_91940199,MCULE-2139344677	358.478	OPVFXUVXTAZFDR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084738
c12CN(CCCn1nc(CN(C)Cc1ccoc1)c2)CC1CCCCO1	PC-id_56915491,EMOLS-id_232812870,MCULE-8640826272	358.478	YTAUPNUXCQJFPC-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-084739
c12CN(CCCn1nc(CO)c2)Cc1cccc(OCCCN(C)C)c1	EMOLS-id_55668975,PC-id_91783163,MCULE-3288128607,ZINC22_222407960	358.478	DRFMCEJYDNQJEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084740
c1(C(=O)NCCO)cc2n(CCCN(CC3=CC[C@@H]4C(C)(C)[C@H]3C4)C2)n1	ZINC22_65372126,MCULE-2855292980,PC-id_50950071,EMOLS-id_32371732	358.478	OLBYVKZZVOVIJT-RDJZCZTQSA-N	00001000100011000101001000000010000000000000000000000000	31-01-084741
c1(sc2c(CCCCC2)n1)NC(=O)c1cc2c(cc(cc2)OC)s1	MCULE-3141623337,EMOLS-id_323413056	358.478	RAKUPJIVDIEBBJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084742
CC1(CCC=CC1)C(=O)N1CCc2ncc(CN3CCOCC3)n2CC1	EMOLS-id_313780938	358.478	RNOXWDFWNWMGQL-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-084743
CC1CCC(CC1)N1CC(CC1=O)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671454	358.478	WUNWKPWLYWDHFW-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-084744
C[C@]1(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)CC=CCC1	ZINC22_585110637	358.478	RNOXWDFWNWMGQL-FQEVSTJZSA-N	00000000100011000101000000000010000000000000000000000000	31-01-084745
C[C@@]1(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)CC=CCC1	ZINC22_585110639	358.478	RNOXWDFWNWMGQL-HXUWFJFHSA-N	00000000100011000101000000000010000000000000000000000000	31-01-084746
CCC1N(CCCn2ccnc12)C(=O)c1cc(C)n(CCCOC)c1C	EMOLS-id_55717364	358.478	IUYOSVMOBGJHAA-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-084747
C/C=C/CC(=O)N1CCCn2nc(CCC(=O)NC3CCCC3)cc2C1	EMOLS-id_46044307,PC-id_72864314,ZINC22_91486435	358.478	OPVFXUVXTAZFDR-NSCUHMNNSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084748
CC(C)CNC(=O)c1ncn2c1CN(C(=O)[C@]1(C)CC=CCC1)CCC2	ZINC22_1565547061	358.478	DTWQIGUNPZBPTP-HXUWFJFHSA-N	00000000100011000101000000000010000000000000000000000000	31-01-084749
CC(C)CNC(=O)c1ncn2c1CN(C(=O)[C@@]1(C)CC=CCC1)CCC2	ZINC22_1614928484	358.478	DTWQIGUNPZBPTP-FQEVSTJZSA-N	00000000100011000101000000000010000000000000000000000000	31-01-084750
CC(C)CNC(=O)c1ncn2CCCN(Cc12)C(=O)C1(C)CCC=CC1	EMOLS-id_313789499	358.478	DTWQIGUNPZBPTP-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-084751
CCCCOc1c(CNCc2nnc3CCCCCn23)cccc1OC	ZINC22_65374165,MCULE-6679594783,PC-id_46983853,EMOLS-id_31603442	358.478	UIFPXIQMMLJHEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084752
CCN(CC)Cc1cc(c(o1)C)C(=O)NCc1n[nH]c2c1CCCCC2	PC-id_135105198	358.478	CTJLJJRURVGBHA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-084753
CN(Cc1ccoc1)Cc1cc2n(n1)CCCN(C[C@H]1CCCCO1)C2	ZINC22_257372130	358.478	YTAUPNUXCQJFPC-HXUWFJFHSA-N	00000000101010000101000000000010000000000000000000000000	31-01-084754
CN(Cc1ccoc1)Cc1cc2n(n1)CCCN(C[C@@H]1CCCCO1)C2	ZINC22_72169871	358.478	YTAUPNUXCQJFPC-FQEVSTJZSA-N	00000000101010000101000000000010000000000000000000000000	31-01-084755
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1	PC-id_97133421,ZINC22_91664011	358.478	LHQDSPUDSYLRPL-CQSZACIVSA-N	00000010100000000101100000000010000000000000000000000000	31-01-084756
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1	PC-id_97133422,ZINC22_91664012	358.478	LHQDSPUDSYLRPL-AWEZNQCLSA-N	00000010100000000101100000000010000000000000000000000000	31-01-084757
CN(Cc1n[nH]c2CCCCCc12)C(=O)C1CN(C2CCCC2)C(=O)C1	EMOLS-id_44724692,PC-id_70748693,MCULE-2749935455	358.478	LHQDSPUDSYLRPL-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-084758
COc1cc(CN2Cc3ccnn3C[C@@H](CCN(C)C)C2)cc(OC)c1	ZINC22_248139577	358.478	SXUUODKXWPAMIM-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084759
COc1cc(CN2Cc3ccnn3C[C@H](CCN(C)C)C2)cc(OC)c1	ZINC22_248139582	358.478	SXUUODKXWPAMIM-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084760
N#Cc1c(NC(=O)[C@H]([N@@H+](Cc2ccco2)C)C)sc2c1CCCCC2	GD-id_ZINC09513847,PC-id_41103784	358.478	BGDYMKDNNGLDQF-CYBMUJFWSA-O	00000000101000000100000000000010000000000000000000000000	31-01-084761
N#Cc1c(NC(=O)C[N@@H+](Cc2ccc(o2)C)C)sc2c1CCCCC2	GD-id_ZINC23819937	358.478	WPRAHMUYOWIKIT-UHFFFAOYSA-O	00000000101000000100000000000010000000000000000000000000	31-01-084762
O=C(C1CCCCC1C(=O)N1CCCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101846398	358.478	OPUMYIIKJGKUHU-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-084763
OCCCCOc1ccccc1CNCCc1nnc2n1CCCCC2	EMOLS-id_316621663	358.478	KYYFGFTYFGHHMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084764
O=C(N1CCCc2c(C1)cco2)Nc1cc(nn1C(C)(C)C)C(C)(C)C	EMOLS-id_99368977	358.478	UHUKGBSMJQZRJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084765
O=C(N1CCCCCC1C1CCCCC1=O)C1CCn2c(CC1)nnc2	EMOLS-id_258053264,MCULE-9218499831	358.478	DTBZICNDRYRORL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084766
O=C(NCCO)c1nn2c(CN(CC3=CCC4C(C3C4)(C)C)CCC2)c1	PC-id_75588432	358.478	OLBYVKZZVOVIJT-UHFFFAOYSA-N	00001000100011000101001000000010000000000000000000000000	31-01-084767
s1c2CCCCCc2c(c1NC(=O)CC[NH+](Cc1occc1)C)C#N	PC-id_25942468	358.478	IDKYJZXIRWGWBS-UHFFFAOYSA-O	00000000101000000100000000000010000000000000000000000000	31-01-084768
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+](Cc1occc1)C)C)C#N	PC-id_41103782	358.478	BGDYMKDNNGLDQF-ZDUSSCGKSA-O	00000000101000000100000000000010000000000000000000000000	31-01-084769
s1c2c(CCCCC2)c(c1NC(=O)C([NH+](Cc1occc1)C)C)C#N	PC-id_74747023	358.478	BGDYMKDNNGLDQF-UHFFFAOYSA-O	00000000101000000100000000000010000000000000000000000000	31-01-084770
s1c2CCCCCc2c(c1NC(=O)CSc1ccc(O)cc1)C#N	PC-id_52272374	358.478	HBIOOHMWYLGRCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084771
c1ccc(cc1)CCc1nnc2n1CCN(CC2)C/C=Cc1ccccc1	CoCoCo_1318419,CoCoCo_1318417	358.479	ILBINNCPZCMFQN-GHXNOFRVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084772
C[C@]1(NC(=O)CSc2nnc3n2CCCCC3)CCS(=O)(=O)C1	CoCoCo_3081342,PC-id_7876598,ZINC22_6096980	358.479	TXDMNTHCZATAOZ-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084773
C[C@@]1(NC(=O)CSc2nnc3n2CCCCC3)CCS(=O)(=O)C1	ZINC22_6096982,CoCoCo_3081341,PC-id_7876599	358.479	TXDMNTHCZATAOZ-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084774
C(Cc1ccccc1)c1nnc2CCN(C/C=C/c3ccccc3)CCn12	CoCoCo_1318418,EMOLS-id_26002303,CoCoCo_1318420,PC-id_42424051,ZINC22_12133268	358.479	ILBINNCPZCMFQN-KPKJPENVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084775
CC(C(=O)NC1CCS(=O)(=O)C1)Sc1nnc2n1CCCCC2	EMOLS-id_30235992,MCULE-9970041556,PC-id_16375492	358.479	LTKBHNLXODJYBF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084776
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1	PC-id_41312447,ZINC22_9995225	358.479	LTKBHNLXODJYBF-WDEREUQCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084777
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N[C@H]1CCS(=O)(=O)C1	PC-id_41312449,ZINC22_9995230	358.479	LTKBHNLXODJYBF-QWRGUYRKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084778
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N[C@H]1CCS(=O)(=O)C1	PC-id_41312450,ZINC22_9995231	358.479	LTKBHNLXODJYBF-MNOVXSKESA-N	00000010100000000101000000000010000000000000000000000000	31-01-084779
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC22_9995227,PC-id_41312448	358.479	LTKBHNLXODJYBF-GHMZBOCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084780
CN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc2n1CCCCC2	PC-id_16381364,EMOLS-id_49982039,MCULE-2778471067	358.479	BHFWDKQDESZAEF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084781
CN(C(=O)CSc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1	PC-id_7877111,ZINC22_6097757	358.479	BHFWDKQDESZAEF-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084782
CN(C(=O)CSc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1	PC-id_7877113,ZINC22_6097759	358.479	BHFWDKQDESZAEF-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-084783
n12CCN(CCc1nnc2CCc1ccccc1)CC=Cc1ccccc1	PC-id_74802128,MCULE-4959352415	358.479	ILBINNCPZCMFQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084784
O=C(C1CCN(CC1)S(=O)(=O)N)Nc1nc2c(s1)CCCCC2	EMOLS-id_110529214	358.479	ZRWMBZWSRYJHOR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084785
O=C(N1CCC(C1)S(=O)(=O)N)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098523	358.479	JBIRYDLTJYBMFE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084786
O=C(NC1(C)CCS(=O)(=O)C1)CSc1nnc2n1CCCCC2	MCULE-5940674674,PC-id_16311207,EMOLS-id_3672647	358.479	TXDMNTHCZATAOZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084787
c12CN(CCC)CCCn1nc(CNC(=O)CC(C)n1ccnc1C)c2	PC-id_70781862,EMOLS-id_44450401,MCULE-8107383420	358.481	VZNAQRQLZJLDKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084788
c12CN(CCCn1nc(CNC(=O)CCCc1cn[nH]c1)c2)CC(C)C	MCULE-9419828366,EMOLS-id_44429201,PC-id_70721099,ZINC22_82097781	358.481	APCYNCWWPSEXNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084789
c12CN(CCCn1nc(CNC(=O)CC(C)n1cccn1)c2)CC(C)C	EMOLS-id_44449919,PC-id_70780364,MCULE-8170657558	358.481	WDRQXPWBMVUKGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084790
c12CN(CCCn1nc(CNC(=O)CC(C)n1ccnc1)c2)CC(C)C	EMOLS-id_44427847,PC-id_70717160,MCULE-3389622757	358.481	LJFOWSGSGXINLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084791
c1(c(C)nc(n2cccc2)s1)C(=O)/N=c
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c1(C(C)NC(=O)CCc2cc3n(CCCNC3)n2)c(C)n(nc1C)CC	MCULE-3046039637,EMOLS-id_43060980,PC-id_70707997	358.481	MRGGPJSOFPRBNF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084793
c1(c(C)sc(n2cccc2)n1)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323287908,MCULE-4670837389	358.481	OXVFUAAOTQVNHZ-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-084794
c1(CN(C)C(=O)NCCCn2c(C)cc(C)n2)c2CCCCCc2[nH]n1	MCULE-7466553727,ZINC22_426518936,EMOLS-id_82722567,PC-id_119067066	358.481	IZZYYYUZQHJGQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084795
c1(C(=O)Nc2sc3c(CCCCC3)n2)cc(nn1C)c1cccs1	MCULE-3571608994,EMOLS-id_323283422	358.481	PUECUIBPWOLZDR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-084796
c1(C(=O)NC(C)Cn2c(C)cc(C)n2)cc2n(CCCN(C(C)C)C2)n1	MCULE-5236810986,EMOLS-id_32379752,PC-id_50954241	358.481	YUBKFYSDLLGUHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084797
c1(NC(=O)Cc2csc(n3cccc3)n2)sc2c(CCCCC2)n1	MCULE-7695109349,EMOLS-id_320531770	358.481	GTGSCNHUROURBH-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-084798
c1(NC(=O)CN(C)Cc2c3CCCCCc3[nH]n2)c(C)nn(CC)c1C	EMOLS-id_32421304,MCULE-7953536703,ZINC22_67868174,PC-id_50976261	358.481	CQJNLRAHJOSUCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084799
c1(NC(=O)CSc2nccc(C)n2)sc2c(CCCCC2)c1C#N	PC-id_6464805,CoCoCo_1042965,MCULE-4357211211,ZINC22_6698925,EMOLS-id_2544228,TIMTEC544584	358.481	XFJHMWAIDNSWDH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084800
c1(NC(=O)CSc2ncccn2)sc2c(CCCCCC2)c1C#N	MCULE-2058580534,EMOLS-id_2294557,TIMTEC442266,PC-id_4140819,ZINC22_6741332,CoCoCo_1052595	358.481	SBDMIBIOJVPRMG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084801
CC1Cc2nnc(COCC3CCC3)n2CCN1Cc1cc(C)nn1C	EMOLS-id_313827108	358.481	SKZFDQBAXGURKE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-084802
CC1Cc2nnc(COCC3CCC3)n2CCN1Cc1cnn(C)c1C	EMOLS-id_313826596	358.481	QIJACRORNBPHGG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-084803
Cc1cc(CN2CCn3c(COCC4CCC4)nnc3C[C@@H]2C)n(C)n1	ZINC22_585098235	358.481	SKZFDQBAXGURKE-HNNXBMFYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-084804
Cc1cc(CN2CCn3c(COCC4CCC4)nnc3C[C@H]2C)n(C)n1	ZINC22_585098236	358.481	SKZFDQBAXGURKE-OAHLLOKOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-084805
Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc3n(n2)CCCN(C(C)C)C3)n1	ZINC22_65382131,PC-id_95122493	358.481	YUBKFYSDLLGUHJ-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084806
Cc1cc(C)n(C[C@H](C)NC(=O)c2cc3n(n2)CCCN(C(C)C)C3)n1	ZINC22_65382133,PC-id_95122494	358.481	YUBKFYSDLLGUHJ-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084807
Cc1c(CN2CCn3c(COCC4CCC4)nnc3C[C@@H]2C)cnn1C	ZINC22_585098007	358.481	QIJACRORNBPHGG-AWEZNQCLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-084808
Cc1c(CN2CCn3c(COCC4CCC4)nnc3C[C@H]2C)cnn1C	ZINC22_585098010	358.481	QIJACRORNBPHGG-CQSZACIVSA-N	00001000100000000101000000000010000000000000000000000000	31-01-084809
Cc1nn(C(C)(C)C)cc1C(=O)NCCCc1nnc2n1CCCCC2	MCULE-7730193645,PC-id_136530008,ZINC22_182350067,EMOLS-id_316842444	358.481	HCNXGJJSXREEFA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084810
CC(C)CN1CCCn2nc(CNC(=O)C[C@@H](C)n3cccn3)cc2C1	PC-id_96580832,ZINC22_82157482	358.481	WDRQXPWBMVUKGY-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084811
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CC(C)CN1CCCn2nc(CNC(=O)C[C@H](C)n3ccnc3)cc2C1	PC-id_96572839,ZINC22_82096739	358.481	LJFOWSGSGXINLP-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084813
CC(C)CN1CCCn2nc(CNC(=O)C[C@@H](C)n3ccnc3)cc2C1	ZINC22_82096738,PC-id_96572838	358.481	LJFOWSGSGXINLP-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084814
CC(C)Cn1ccnc1CNC(=O)N1Cc2cnn(C)c2CC(C)(C)C1	ZINC22_663181989,EMOLS-id_316875500,MCULE-2662655945	358.481	DMWBDWWMYJIFJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084815
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CCn1nc(C)c([C@@H](C)NC(=O)CCc2cc3n(n2)CCCNC3)c1C	PC-id_95874108,ZINC22_72433785	358.481	MRGGPJSOFPRBNF-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084819
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N#Cc1c(sc2c1CCCCCC2)NC(=O)c1snnc1C1CC1	EMOLS-id_99769052	358.481	GMQORYUDJJLIGZ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-084823
N#CC(N1CCN(CC1)C(=O)CN1CCCc2c(C1)cnn2C)C(C)C	EMOLS-id_101742805	358.481	UGPMGJVRQHSGPB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084824
O=C(c1sc(nc1C)c1cccs1)N1CCCc2c(C1)cnn2C	EMOLS-id_101668297	358.481	KFWPRAQVVNFCMF-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-084825
O=C(Nc1nc2c(s1)CCCCC2)NCc1nc2c(s1)cccc2	PC-id_112825079	358.481	YQSGSEOAISFHEO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084826
O=C(NCc1nn2CCCN(Cc2c1)CCC)CCc1c([nH]nc1C)C	PC-id_70782007	358.481	BKTDPEJPNKHGRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084827
s1c2CCCCCc2cc1C(=O)NNC=C(c1scc(n1)C)C#N	PC-id_84842226	358.481	JBUHAQNGVCNFRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084828
s1c2CCCCCc2cc1C(=O)NN/C=C(/c1scc(n1)C)C#N	PC-id_8812562	358.481	JBUHAQNGVCNFRK-UKTHLTGXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084829
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](Cc1cn(nc1)C)C)C#N	PC-id_27519401	358.481	XAFGOMCUDNTVHL-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-084830
s1c2CCCCCc2c(c1NC(=O)C(Sc1ncccn1)C)C#N	PC-id_51234038	358.481	WZYBFIPETLYQOJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-084831
CCNC(=NCc1ccnn1C)NCCCc1nnc2n1CCCCC2	PC-id_111954719	358.484	BUFDPBYYXPJKCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084832
CCNC(=NCc1c(C)nn(c1C)C)NCc1nnc2n1CCCCC2	PC-id_111951369	358.484	DHBPNDFUVJHLLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084833
CCNC(=NCCCn1cccn1)NCCc1nnc2n1CCCCC2	PC-id_111903901	358.484	RVXYJXGNNOPCDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084834
CN=C(NCc1c(C)nn(c1C)C)NCCc1nnc2n1CCCCC2	PC-id_111951551	358.484	UKVMGNDTOULCRR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084835
CN=C(N(Cc1cnn(c1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_111367319	358.484	RKSCEFIXNZHZOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084836
CN=C(NCc1nnc2n1CCCCC2)NCCCn1nc(cc1C)C	PC-id_111279117	358.484	ASJXDAYDNPBING-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084837
CN=C(NCCCn1cccn1)NCCCc1nnc2n1CCCCC2	PC-id_111904609	358.484	JOFMVHIKMCPLCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084838
CC(COc1nc2c(s1)CCN(CC2)CCC1CCCCC1)(F)F	PC-id_145451534	358.49	YTNIYZVQUUSJJV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084839
OCC1(COC(CCOC(C)C)C)COc2c(OC1)c(sc2C)C	PC-id_145442612	358.493	QLPMNYFXSMKUKI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084840
c1(N=Cc2ccc(cc2O)O)sc2c(CCCCCCCCCC2)n1	MCULE-3401025002	358.498	ZIITWTHXFYGBPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084841
c1(NC(=O)CCCOc2ccc(cc2)CC)sc2c(CCCCC2)n1	MCULE-2347062811,EMOLS-id_334603641	358.498	SYIBFNRMQGDWAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084842
c1(NC(=O)CCCOc2c(C)cccc2C)sc2c(CCCCC2)n1	EMOLS-id_334604664,MCULE-8058654431	358.498	KBDOKEMKPIACGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084843
c1(sc2c(CCCCC2)n1)NC(=O)C(C)Oc1ccc(cc1)C(C)C	EMOLS-id_334604152,MCULE-4429688409	358.498	JWAFYTISDLUCIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084844
c1(sc2c(CCCCC2)n1)NC(=O)C(C)Oc1ccccc1C(C)C	EMOLS-id_334606199,MCULE-6038399442	358.498	ZYOSKLDVZYNFSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084845
CCCC(CN1CCC(=O)N(Cc2c1ccs2)Cc1ccccc1)O	PC-id_134786992	358.498	RLIVTYFYKQCZGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084846
Oc1ccc(c(c1)O)/C=N/c1sc2c(n1)CCCCCCCCCC2	EMOLS-id_26317713,PC-id_135628198,STOCK3S-79325,ZINC22_5054594	358.498	ZIITWTHXFYGBPD-KGENOOAVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084847
O=C(c1cc2c(s1)CCCCC2)NCC(c1ccco1)N1CCCC1	PC-id_16276401,MCULE-1301800066,EMOLS-id_13400955	358.498	JCVGQODCJHQUSF-UHFFFAOYSA-N	00000010101000000100000000000010000000000000000000000000	31-01-084848
O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2c(s1)CCCCC2	PC-id_40811445,ZINC22_8750117,CoCoCo_3706561	358.498	JCVGQODCJHQUSF-INIZCTEOSA-N	00000010101000000100000000000010000000000000000000000000	31-01-084849
O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc2c(s1)CCCCC2	ZINC22_8750115,PC-id_40811443,CoCoCo_3706560	358.498	JCVGQODCJHQUSF-MRXNPFEDSA-N	00000010101000000100000000000010000000000000000000000000	31-01-084850
O=C(OC(C)(C)C)Nc1cc2c(s1)CCN(CC2)Cc1ccccc1	SCHEMBL10859469,PC-id_20244886	358.498	UJCVXBCLDOPABX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084851
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)Cc1occc1	PC-id_46546828	358.498	JDELLEHVKYOARN-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-084852
s1c2CCCCCCc2cc1C(=O)N(CCOC)Cc1ncccc1	PC-id_52726427	358.498	YPLJHSFBAJIYII-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-084853
s1c2CCCCCCCCCCc2nc1N/C=C
/C(=CC(=O)C=C1)O	PC-id_17573664	358.498	NOEBXMPYOSNPGO-CCEZHUSRSA-N	00000000100011000101000000000010000000000000000000000000	31-01-084854
s1c2CCCCCCCCCCc2nc1NC=C1C(=CC(=O)C=C1)O	PC-id_6772339	358.498	NOEBXMPYOSNPGO-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-084855
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)Cc1ccc(C)s1	MCULE-8242369879,ZINC22_91593336,PC-id_72876665,EMOLS-id_46053181	358.501	UWOSWLOMHZTCBW-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-084856
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(C)s1	MCULE-9869152447,PC-id_70704905,EMOLS-id_44423507,ZINC22_82083520	358.501	LSKAQMXEWDLQIU-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-084857
c1(cc2c(CCCCC2)s1)C(=O)N1CCN(CC1)Cc1nccn1C	EMOLS-id_50548235,MCULE-7371589525,PC-id_86287064,ZINC22_106031882	358.501	UKCQNZVRBHDBIS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084858
c1cc2c(s1)C1(CCN(Cc3cc4n(n3)CCCNC4)CC1)OCC2	ZINC22_2356145535,MCULE-8399290854,EMOLS-id_337815074	358.501	PGAHBKZMHJRBGR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084859
c1cc2c(s1)CCOC12CCN(Cc2cc3n(n2)CCCNC3)CC1	EMOLS-id_337802821,ZINC22_2356153338,MCULE-3504132133	358.501	BRTGVTFBFZLNMK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084860
c1(C(O)C2CC2)cc2n(CCCN(Cc3sc4c(CCCC4)n3)C2)n1	EMOLS-id_55620168,PC-id_91766193,MCULE-1674377952	358.501	CSEUODMFOUOTKC-UHFFFAOYSA-N	00100000100010000101000000010010000000000000000000000000	31-01-084861
c1(C(=O)N(C(C)C)Cc2cccc(c2)SC)nnc2CCCCCn12	EMOLS-id_316181421,ZINC22_1506396558,MCULE-3192662708	358.501	KVIGAXYYPYAJHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084862
Cc1cc(C)cc(CSCC(=O)NCc2cc3CNCCCn3n2)c1	PC-id_70780946,ZINC22_82158482,EMOLS-id_44450095,MCULE-1970419137	358.501	IQANTLKZKCIACG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084863
Cc1ccc(CN(C)C(=O)CSc2nnc3n2CCCCC3)c(C)c1	PC-id_16317489,ZINC22_7822074,EMOLS-id_3614942,CHEMBL1516205,MCULE-5546139167,CoCoCo_3968354,ChEMBL-DNDi_CHEMBL1516205	358.501	NCZSJYBZSCOTOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084864
Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CN3CCCC3)C2)sc1C	ZINC22_253598471	358.501	BURMEKYGGPQVRA-INIZCTEOSA-N	00000010100100000101000000000010000000000000000000000000	31-01-084865
Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CN3CCCC3)C2)sc1C	ZINC22_253598472	358.501	BURMEKYGGPQVRA-MRXNPFEDSA-N	00000010100100000101000000000010000000000000000000000000	31-01-084866
Cc1cc(sc1C)C(=O)N1CC(CN2CCCC2)Cn2nccc2C1	EMOLS-id_50371139	358.501	BURMEKYGGPQVRA-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-084867
Cc1ncsc1CN1Cc2cccn2C[C@@H](CC(=O)NCC2CC2)C1	ZINC22_585099123	358.501	NPLVLWRDXVMUMF-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-084868
Cc1ncsc1CN1Cc2cccn2C[C@H](CC(=O)NCC2CC2)C1	ZINC22_585099124	358.501	NPLVLWRDXVMUMF-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-084869
Cc1ncsc1CN1CC(CC(=O)NCC2CC2)Cn2cccc2C1	EMOLS-id_313813539	358.501	NPLVLWRDXVMUMF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-084870
Cc1[nH]nc(n1)C1CCCN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_98962868	358.501	BVXRAXWTZYHAFI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084871
Cc1n[nH]c(c1)N1CCC(CC1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_100136914	358.501	RLCMRSGOKSNNRB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084872
CCC(N(C(=O)Nc1sc2c(n1)CCCCCC2)C)c1ccncc1	EMOLS-id_101106522	358.501	JYMACVKFKQNZHZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-084873
Cn1ncc(c1)[C@@H]1CN(C[C@H]1N)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_102146991	358.501	TYEUGEHAPQRWPZ-JKSUJKDBSA-N	00000010100000000101100000000010000000000000000000000000	31-01-084874
CN(CC(c1ccccc1)NC(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112825142	358.501	PZZFBGMFHXOHGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084875
COc1ccc(CN(Cn2nc3n(c2=S)CCCCC3)C2CC2)cc1	PC-id_9281575,ZINC22_8148325,CoCoCo_4204938,CoCoCo_4204937,MCULE-7759881635,EMOLS-id_13552987	358.501	RVCVZQJBZJAZDF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-084876
n12CCCNCc1cc(CCC(=O)NCc1csc3CCCCc13)n2	PC-id_70714998,MCULE-1271003774,ZINC22_72433114,EMOLS-id_43073381	358.501	YJFAXOKHGHOBBT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-084877
n1c(CNC2CCN(CC2)C(=O)c2cccs2)c2c(CCCCC2)[nH]1	MCULE-1520818797,ZINC22_828187365,EMOLS-id_232888597	358.501	LTNXDZQKYXFHKZ-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-084878
N#Cc1c(NC(=O)CN2CCN3C(C2)CCC3)sc2c1CCCCC2	EMOLS-id_100981948,PC-id_17276232	358.501	GOJHAOHKHHFINU-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-084879
O=C(c1sc2c(c1)CCCCCC2)N1CCCC(C1)Cn1ccnn1	EMOLS-id_97804991	358.501	ZOOIBMZPTYBFOJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084880
O=C(c1sc2c(c1)CCCCCC2)N1CCC(CC1)Cn1ccnn1	EMOLS-id_97863467	358.501	UAEQPKGTTXMTFW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084881
O=C(c1sc2c(c1)CCCCCC2)N1CCCC(CC1)n1ccnn1	EMOLS-id_316660988	358.501	ZOLAUTVOJPNJAX-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-084882
O=C(c1sc2c(c1)CCCCCC2)N1CCN(CC1)Cc1[nH]ccn1	EMOLS-id_99062210	358.501	RNOUSIFSRYPHGZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-084883
O=C(c1sc2c(c1)CCCCCC2)NCc1nnc2n1CCCCC2	EMOLS-id_98311367,PC-id_51185253	358.501	LCESCIAUBMJFJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084884
O=C(Cc1cccs1)N1Cc2ccnn2C[C@@H](CCN2CCCC2)C1	ZINC22_247855531	358.501	KKMKVOXTFADMKT-INIZCTEOSA-N	00000010100100000101000000000010000000000000000000000000	31-01-084885
O=C(Cc1cccs1)N1Cc2ccnn2C[C@H](CCN2CCCC2)C1	ZINC22_247855535	358.501	KKMKVOXTFADMKT-MRXNPFEDSA-N	00000010100100000101000000000010000000000000000000000000	31-01-084886
O=C(Cc1cccs1)N1CC(CCN2CCCC2)Cn2nccc2C1	EMOLS-id_50373831	358.501	KKMKVOXTFADMKT-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-084887
O=C(Cc1ccsc1)N1Cc2ccnn2C[C@@H](CCN2CCCC2)C1	ZINC22_247805015	358.501	AHVHBOAACJNGPZ-KRWDZBQOSA-N	00000010100100000101000000000010000000000000000000000000	31-01-084888
O=C(Cc1ccsc1)N1Cc2ccnn2C[C@H](CCN2CCCC2)C1	ZINC22_247805016	358.501	AHVHBOAACJNGPZ-QGZVFWFLSA-N	00000010100100000101000000000010000000000000000000000000	31-01-084889
O=C(Cc1ccsc1)N1CC(CCN2CCCC2)Cn2nccc2C1	EMOLS-id_50373439	358.501	AHVHBOAACJNGPZ-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-084890
O[C@@H](c1cc2n(n1)CCCN(Cc1nc3c(s1)CCCC3)C2)C1CC1	PC-id_100029556,ZINC22_218911702	358.501	CSEUODMFOUOTKC-LJQANCHMSA-N	00100000100010000101000000010010000000000000000000000000	31-01-084891
O[C@H](c1cc2n(n1)CCCN(Cc1nc3c(s1)CCCC3)C2)C1CC1	ZINC22_218911787,PC-id_100029558	358.501	CSEUODMFOUOTKC-IBGZPJMESA-N	00100000100010000101000000010010000000000000000000000000	31-01-084892
O=C(N1CCNCC1c1nccn1C)c1sc2c(c1)CCCCCC2	MCULE-7427960425,PC-id_120879716,EMOLS-id_302846886	358.501	PAPIBHVFDHWPFY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-084893
O=C(NCCc1nnc2n1CCCCC2)c1cc2c(s1)CCCCC2	PC-id_51304502,MCULE-4933342103,ZINC22_54451017,EMOLS-id_44026407	358.501	POTFOAZGYCGTBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084894
S(c1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1)C(C)C	PC-id_60569073	358.501	VUGTZOQXBGVBJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084895
S(c1n2CCCCCc2nn1)C(C(=O)Nc1c(cc(cc1C)C)C)C	PC-id_78559285	358.501	XBFQQIJOBLLFEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084896
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(CC)cccc1CC	PC-id_7877422	358.501	BUFBLPUMCOYDDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084897
S(c1n2CCCCCc2nn1)C(C(=O)Nc1ccc(C(C)C)cc1)C	PC-id_24371217	358.501	FNPYYLKJKIJEJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084898
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(C(C)C)cccc1C	PC-id_7877497	358.501	RXNABNIFQBRCRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084899
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(C(CC)C)cc1	PC-id_78559298	358.501	VZJSUPXKOUDMMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084900
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(C(CC)C)cccc1	PC-id_78559299	358.501	DHYWHSGSWXHORT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084901
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_7877384	358.501	NHEROURJZKWSET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084902
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc([C@@H](CC)C)cc1	PC-id_7877470	358.501	VZJSUPXKOUDMMA-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084903
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc([C@H](CC)C)cc1	PC-id_7877471	358.501	VZJSUPXKOUDMMA-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084904
S(c1n2CCCCCc2nn1)CC(=O)Nc1c([C@@H](CC)C)cccc1	PC-id_7877500	358.501	DHYWHSGSWXHORT-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084905
S(c1n2CCCCCc2nn1)CC(=O)Nc1c([C@H](CC)C)cccc1	PC-id_7877501	358.501	DHYWHSGSWXHORT-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084906
S(c1n2CCCCCc2nn1)CC(=O)NC(c1cc(c(cc1)C)C)C	PC-id_46792341	358.501	FTNGLSVXACHDQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084907
S(c1n2CCCCCc2nn1)CC(=O)NC(c1ccc(cc1)CC)C	PC-id_78559205	358.501	YOWXDXVJZDZDAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084908
S(c1n2CCCCCc2nn1)CC(=O)NC(CC)c1ccc(cc1)C	PC-id_78559219	358.501	MHTALIBMRLECJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084909
S(c1n2CCCCCc2nn1)CC(=O)NC(CCc1ccccc1)C	PC-id_78559292	358.501	IYPUOXVOEAZTGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084910
S(c1n2CCCCCc2nn1)CC(=O)NC(C(C)C)c1ccccc1	PC-id_43036575	358.501	HJYMFNPPVDNVQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084911
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](c1ccc(cc1)CC)C	PC-id_7876608	358.501	YOWXDXVJZDZDAW-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084912
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](c1ccc(cc1)CC)C	PC-id_7876610	358.501	YOWXDXVJZDZDAW-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084913
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](c1cc(c(cc1)C)C)C	PC-id_7876615	358.501	FTNGLSVXACHDQG-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084914
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](c1cc(c(cc1)C)C)C	PC-id_7876616	358.501	FTNGLSVXACHDQG-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084915
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](CC)c1ccc(cc1)C	PC-id_7876745	358.501	MHTALIBMRLECJF-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084916
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](CC)c1ccc(cc1)C	PC-id_7876746	358.501	MHTALIBMRLECJF-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084917
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](CCc1ccccc1)C	PC-id_7877402	358.501	IYPUOXVOEAZTGY-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084918
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](CCc1ccccc1)C	PC-id_7877404	358.501	IYPUOXVOEAZTGY-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084919
S(c1n2CCCCCc2nn1)[C@@H](C(=O)Nc1c(cc(cc1C)C)C)C	PC-id_7877302	358.501	XBFQQIJOBLLFEN-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084920
S(c1n2CCCCCc2nn1)[C@H](C(=O)Nc1c(cc(cc1C)C)C)C	PC-id_7877304	358.501	XBFQQIJOBLLFEN-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084921
S(c1n2CCCCCc2nn1)[C@@H](C(=O)Nc1ccc(C(C)C)cc1)C	PC-id_7877161	358.501	FNPYYLKJKIJEJI-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084922
S(c1n2CCCCCc2nn1)[C@H](C(=O)Nc1ccc(C(C)C)cc1)C	PC-id_7877163	358.501	FNPYYLKJKIJEJI-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084923
CN=C(NCc1nnc2n1CCCCC2)NCCSc1ccccc1	PC-id_111372609	358.504	YJZMACKCNKCGNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084924
COC1(CC(C)CC(C1)C)c1cccc(c1)Cc1cc2-c(c1)ccccc2	PC-id_143166132	358.516	NTXFOQOGECJAOK-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-084925
O=C/C=C(/C=C/C=C(/C=C/c1c2-c(c(c1)C)cc(C(C)C)ccc2C)C)C	PC-id_57983852,SCHEMBL2606668	358.516	PVRMDZLNGGQJIR-LPEGNBRBSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084926
O=CC=C(C=CC=C(C=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C)C)C	PC-id_76695598	358.516	PVRMDZLNGGQJIR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084927
CCS(=O)(=O)N(C)CCCNC(=O)c1cc2c(s1)CCCCC2	ZINC22_43094376,MCULE-7920488458,EMOLS-id_36633460,PC-id_52184897	358.519	HKBCDZCVGIZXJD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084928
CN(CCCNC(=O)c1cc2c(s1)CCCCCC2)S(=O)(=O)C	PC-id_45884773,EMOLS-id_30250798,ZINC22_40089398,MCULE-7702509132	358.519	FJPLDJWRQHSUEI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084929
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)CCC(C)C	PC-id_56532256	358.519	KMFKAUQCFPIKGC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-084930
c12CN(CCCn1nc(CCC(=O)NC1CCCC1)c2)CC1CCCC1	EMOLS-id_46046759,PC-id_72867811,ZINC22_91526397,MCULE-6181701891	358.521	MKMKFVUJHXQXQS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-084931
CCNC(=NCCc1nnc2n1CCCCC2)N1CC2C(C1)CCCC2	PC-id_109443719	358.524	XXLDHPFNXRUZAR-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-084932
CCNC(=NCCc1nnc2n1CCCCC2)NCCC1=CCCCC1	PC-id_111209542	358.524	FMUACIHAJVVXGE-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-084933
CN=C(N1CC2C(C1)CCCC2)NCCCc1nnc2n1CCCCC2	PC-id_109442411	358.524	YQCJTHLSYHOFQA-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-084934
CN=C(NCCC1=CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111209658	358.524	UECDLNIYFNOTAE-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-084935
c1(C#N)c2CCCCCc2sc1NC(=O)C1CCC(CC1)C(C)(C)C	SPECS-id_AK-968/15602067,PC-id_5101471,EMOLS-id_4036582,ZINC22_2762078,MCULE-1702264874,TIMTEC577664	358.541	YQCLOAOYNDWGSG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-084936
N#Cc1c(NC(=O)[C@@H]2CC[C@H](CC2)C(C)(C)C)sc2c1CCCCC2	CoCoCo_5830504	358.541	YQCLOAOYNDWGSG-SHTZXODSSA-N	00000000100010000100000000000010000000000000000000000000	31-01-084937
N#Cc1c(NC(=O)[C@@H]2CC[C@@H](CC2)C(C)(C)C)sc2c1CCCCC2	CoCoCo_5830505	358.541	YQCLOAOYNDWGSG-GASCZTMLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-084938
c12SCC(CSc1sc(=S)s2)OC(=O)c1ccccc1	TIMTEC271698,ZINC22_5601844,PC-id_4069996,MCULE-9139466951	358.542	KSPXBRGJZUOULB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084939
c1(CN(C)Cc2cc(cs2)CN2CCCC2)c2CCCCCc2[nH]n1	MCULE-3490320332,EMOLS-id_222776918,ZINC22_670457616	358.544	KUXIJNPLCPXOFC-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-084940
S=c1n2CCCCCc2nn1CN(Cc1ccc(C(C)(C)C)cc1)C	PC-id_8208328	358.544	BZTIMOMKBMXNSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084941
CC([Si](Oc1ccc(cc1)C#Cc1ccc2-c(cc1)ccc2)(C)C)(C)C	PC-id_140074411	358.548	FWDHBFASXYGSOI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084942
[Si](Oc1ccc(cc1)C#Cc1cc2-c(c1)ccccc2)(C(C)(C)C)(C)C	PC-id_86099728	358.548	VBWDTTJLZMNJKM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-084943
CCCCNC(=S)c1cc(c2-c1ccccc2)C(=S)NCCCC	PC-id_102473709	358.564	JSDXTVUVVRTOMI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084944
S=C(NCCCC)c1cc2-c(cc(c1)C(=S)NCCCC)ccc2	PC-id_86074085	358.564	WBSNDVKKLQRITO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-084945
c1(C(=O)Nc2c(Cl)cc(c(Cl)c2)Cl)c2CCCCCc2[nH]n1	MCULE-7142375028,EMOLS-id_335105076	358.65	JKNGXILHZCJMAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084946
S1CCCSCCSc2sc(=S)sc2SCC1	PC-id_10338477	358.673	BZGMNDBKMWRCFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084947
Brc1cccc(c1Cl)OC1CNCCc2c1scc2	SCHEMBL2841048,PC-id_68411841	358.681	GCXIRIQOKUPEKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084948
Brc1c(Cl)c(OC2c3c(scc3)CCNC2)ccc1	PC-id_68698540	358.681	VZJMSXFLMVJFHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084949
Brc1c(Cl)c(OC2CCNCc3sccc23)ccc1	PC-id_68409383	358.681	GXYOBRKTJUJNNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-084950
c1(C(=O)Nc2c(Cl)ccc(c2)C(F)(F)F)c2CCCCCc2on1	PC-id_15988836,ChEMBL-DNDi_CHEMBLC226-3494,EMOLS-id_15972052,TIMTEC174744,CHEMBL1435980,ZINC22_2498137,MCULE-8700953135	358.743	GOQXUFJFWRFSCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084951
O=C1CCCN1c1ccc(c(c1)C(=O)N1CCCc2c(C1)cco2)Cl	EMOLS-id_99398028	358.819	VIFPDCULPKIWPB-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-084952
O=C(N1CCCc2c(C1)cco2)C1CC(=O)N(C1)c1ccccc1Cl	EMOLS-id_99343558	358.819	LRCTYMMOFCWBJF-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-084953
c1(cc2c(ccc(Cl)c2)[nH]1)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	PC-id_91778956,EMOLS-id_55656736,MCULE-7531179909	358.822	FLMBEQWIAJVKKB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-084954
Cc1c(C(=O)NCc2nnc3n2CCCCC3)oc2ccc(Cl)cc12	PC-id_47008594,ZINC22_48279811,EMOLS-id_30677668,MCULE-2183521592	358.822	DBHHODCEFKFSQQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084955
C=CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)Cl	PC-id_20964796,CoCoCo_2544632	358.822	XLESAWGTVAMJIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084956
CCOc1c(c(cc(c1)/C=C(C#N)/c1nnc2n1CCCCC2)Cl)O	PC-id_135735580	358.822	OQQQKLLHGDGXJP-MDWZMJQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-084957
CCOC1CN(Cc2cccn2C1)C(=O)c1cn2cc(Cl)ccc2n1	EMOLS-id_50006754	358.822	ZLVHPAXCCHECSE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084958
CCO[C@@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2cccn2C1	ZINC22_253387163	358.822	ZLVHPAXCCHECSE-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084959
CCO[C@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2cccn2C1	ZINC22_253387164	358.822	ZLVHPAXCCHECSE-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084960
Clc1c2oc(c(c2ccc1)C)C(=O)NCc1n2CCCCCc2nn1	PC-id_51185248	358.822	HCSWHJNYLGFDID-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084961
Clc1cc2cc(oc2cc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_51304523	358.822	UCIQPZPWNBRZDH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084962
Clc1c(c2oc(c(n2)CN2CCc3[nH][nH]c(=O)c3CC2)C)cccc1	PC-id_70758639	358.822	NUPVXVQAAIOHMA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084963
Clc1ccc2c(c1)cc([nH]2)C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99975820	358.822	FLMBEQWIAJVKKB-LLVKDONJSA-N	00000000100000100101000001100010000000000000000000000000	31-01-084964
Clc1ccc2c(c1)cc([nH]2)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99975823	358.822	FLMBEQWIAJVKKB-NSHDSACASA-N	00000000100000100101000001100010000000000000000000000000	31-01-084965
Clc1cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc(OC)c1OC	CoCoCo_3456483,PC-id_73673998	358.822	DHPMJMWCNCDPBK-JYRVWZFOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084966
Clc1cc(C=C(c2n3CCCCCc3nn2)C#N)cc(OC)c1OC	PC-id_72084725,MCULE-1577011474,EMOLS-id_26092997	358.822	DHPMJMWCNCDPBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084967
Clc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc(OC)c1OC	PC-id_8275440,CoCoCo_3456482	358.822	DHPMJMWCNCDPBK-MDWZMJQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-084968
ClC1=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=C(OCC)C1=O	PC-id_8275436	358.822	OFGMELHBHBRUEM-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-084969
Clc1ccc(CN2CCCn3nc(C(=O)NC4CC4)cc3C2=O)cc1	PC-id_50797932	358.822	LNBDNAJGAVHPOU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-084970
O=C(c1noc2c1CCCCC2)NCc1nc2c(n1C)c(Cl)ccc2	EMOLS-id_100155666	358.822	BVRFXSWQTWSUSK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084971
c1(cn2c(ccc(Cl)c2)n1)C(=O)N1CCn2c(CC1)nnc2C(C)C	EMOLS-id_30489810,ZINC22_12151277,CoCoCo_1463480,MCULE-6172738691,PC-id_42431545	358.825	KNSXZUOJBZQEHR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-084972
Clc1ncn(c2c(OC)cc(Nc3nn4CCCCCc4n3)cc2)c1	SCHEMBL13284892,PC-id_70876330	358.825	MSHFZYIEDJWPQY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084973
O=C(c1ncoc1c1ccccc1Cl)N1CCCc2sccc2C1	ZINC22_170640902,EMOLS-id_50327277,MCULE-6615197357,PC-id_99811594	358.842	UIKLUGZLNMZCGN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-084974
c1(c(C)nn(C)c1Cl)S(=O)(=O)NCc1cc2n(CCCNC2)n1	EMOLS-id_44443585,PC-id_70762201,ZINC22_82134621,MCULE-2906319179	358.847	WFSMPBYNYQAOLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-084975
c1(C(=O)N2CCCC(c3ccc(cc3)Cl)C2)nnc2CCCCCn12	EMOLS-id_50534905,MCULE-1812476410,PC-id_86285242	358.865	CBSCJVRJCZXILP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084976
c1(C(=O)N2CCN(CC2)c2ccccc2Cl)c2CCCCCc2[nH]n1	EMOLS-id_334815038,MCULE-1915959717	358.865	HFFMACYULMMCIM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084977
c1(C(=O)N2CCN(CC2)c2ccc(cc2)Cl)c2CCCCCc2[nH]n1	MCULE-9904361608,EMOLS-id_323248310	358.865	FVWWECUIHXGNJJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084978
c1(C(=O)N2CCN(CC2)c2cccc(Cl)c2)c2CCCCCc2[nH]n1	MCULE-5351965532,EMOLS-id_323251129	358.865	XUQVNXOKUJXYIS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084979
Cc1c(CN2CCCn3nc([C@H](C)O)cc3C2)[nH]c2ccc(Cl)cc12	PC-id_100051678,ZINC22_220051195	358.865	QTNKQUWVTIHXRQ-ZDUSSCGKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-084980
Cc1c(CN2CCCn3nc([C@@H](C)O)cc3C2)[nH]c2ccc(Cl)cc12	ZINC22_220051137,PC-id_100051677	358.865	QTNKQUWVTIHXRQ-CYBMUJFWSA-N	00000000100000100101000001100010000000000000000000000000	31-01-084981
CC(O)c1cc2CN(Cc3[nH]c4ccc(Cl)cc4c3C)CCCn2n1	PC-id_90649959,EMOLS-id_50535475,MCULE-9092966879	358.865	QTNKQUWVTIHXRQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-084982
Clc1cc(C2(CC2)C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55567691	358.865	NIZAYNOPFUPFAV-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-084983
Clc1ccc(C2(CC2)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_60389575	358.865	ZAPIRBWXIGXIJN-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-084984
Clc1ccc(cc1)C1(CCC1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320134894,MCULE-3192218810	358.865	WIZPFSSPXDVJDY-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-084985
Clc1ccc(cc1)C1(CCC1)C(=O)NCc1cc2CNCCCn2n1	MCULE-5528568360,EMOLS-id_44450335,PC-id_70781669,ZINC22_82160388	358.865	RLASDGVGHRBQPG-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-084986
Clc1cccc(c1)C1(CCC1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_318095105	358.865	YBKFGDMSLXTMAU-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-084987
Clc1cccc(c1)C1(CCCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316536711	358.865	UGKIOYJEMSRFCA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-084988
Clc1ccc(cc1)C(C1CC1C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319384843	358.865	KNBBBECQBDEVNG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-084989
Clc1ccc(cc1)[C@@H]1CCCN(C1)C(=O)c1nnc2n1CCCCC2	PC-id_99974329	358.865	CBSCJVRJCZXILP-OAHLLOKOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084990
Clc1ccc(cc1)[C@H]1CCCN(C1)C(=O)c1nnc2n1CCCCC2	PC-id_99974330	358.865	CBSCJVRJCZXILP-HNNXBMFYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-084991
Clc1ccccc1CN1Cc2ccnn2CCC1CN1CCCC1=O	EMOLS-id_313815339	358.865	IKEODDCJVSXXGT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-084992
Clc1cccc(c1)C(=O)N1CCc2ncc(CN3CCCC3)n2CC1	EMOLS-id_313781451,ZINC22_2055772928	358.865	YFFAANZOOPPKGT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-084993
Clc1c(ccc(C=CC(=O)NCCc2n3CCCCCc3nn2)c1)C	PC-id_55554203	358.865	HFOLSKSPMTTZGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084994
O=C1CCCN1C[C@@H]1CCn2nccc2CN1Cc1ccccc1Cl	ZINC22_585097188	358.865	IKEODDCJVSXXGT-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-084995
O=C1CCCN1C[C@H]1CCn2nccc2CN1Cc1ccccc1Cl	ZINC22_585097189	358.865	IKEODDCJVSXXGT-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-084996
O=C(/C=C/c1ccc(c(c1)Cl)C)NCCc1nnc2n1CCCCC2	PC-id_93984028	358.865	HFOLSKSPMTTZGO-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-084997
O=C(N1CCCC1Cc1ccccc1Cl)C1CCn2c(CC1)nnc2	MCULE-1313479764	358.865	STOPIUQFOSFXRV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-084998
O=C(N1CCCc2c(C1)cnn2C)N[C@@H]1C[C@H](C1)c1ccccc1Cl	EMOLS-id_101710493	358.865	XESUXXLIWUHCDM-CTYIDZIISA-N	00001000100000110101100000000010000000000000000000000000	31-01-084999
c1(NC(=O)Cc2ccc(cc2)Cl)sc2c(CCCCCC2)c1C#N	ZINC22_2737637,TIMTEC549901,EMOLS-id_4036739,CoCoCo_6792596,MCULE-2086069830,PC-id_4652336	358.885	XLEVKFBSPJBJSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085000
Clc1cc(c(/N=c/2sc(=S)n3n2CCSCC3)nc1C)C	PC-id_18717172	358.933	JIQUTNUNAIELET-VBKFSLOCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085001
C1CCN2C(=NC(=N2)Br)C(C1)OC3=CC(=CC(=C3)Cl)F	PC-id_153606633	358.984	LJQMSHCZVSKXMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085002
Brc1c2-c(c(c(N)c2)C(=O)OC)ccc(Br)c1	PC-id_85682870	359.013	FASGEBPGWVTPPX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-085003
IC1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18372635	359.087	SAKMYBCQNSQDDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085004
Brc1cn2c(c1)CC(=CC=N2)OS(=O)(=O)C(F)(F)F	PC-id_142446478	359.12	CXSWFIRYHFVWII-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-085005
CC(C1=CC2=C(C=C1)OCO2)N3CCC4=C(CC3)SC(=N4)NC(=O)C	PC-id_154685636	359.13	GVKKSPKPRQOIEG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085006
CCCc1c([nH]c2=CC=C(PC=c12)I)C(=O)C	PC-id_143326395	359.143	SCAPHOGJXMTLCQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-085007
Cc1cc(cnc1)Oc1nc2c([nH]1)C(=O)N(C(=O)CN2C)CCCCO	PC-id_163728492	359.159	KXPUQLPSLPTUDZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085008
O=C(Nc1cc(Cl)c(c(c1)Cl)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102001773	359.186	YASLRIODZZPSKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085009
CCCOC1=CC=C(C=C1)CNC(=O)NCC2=NN=C3N2CCOCC3	MCULE-2932586618,EMOLS-id_317759680,PC-id_154786580	359.196	LGCXTEZHYMWPJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085010
CCCN1C2=C(C(CCCCC2)(CC3=CC=C(C=C3)C(=O)OC)F)N=N1	PC-id_153397894	359.201	XZLWZAWKWVMFTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085011
CC(C)N1C2=C(C(CCCCC2)(CC3=CC=C(C=C3)C(=O)OC)F)N=N1	PC-id_155054423	359.201	ZFDIDMGSWILFEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085012
CC(C)C1CCc2nc(nn12)C(=O)N[C@H]1CCn2c(ccn2)N(C1O)C	PC-id_163864146	359.207	PFDRHVHAFDNOJI-DLGFLZQMSA-N	00000010100000000101000010000010000000000000000000000000	31-01-085013
CC(C)[C@H]1CCC2=NC(=NN12)C(N[C@H]3CCN4C(=CC=N4)N(C3=O)C)O	PC-id_147258896	359.207	COEAYYWPHDCAEE-QXNREYOVSA-N	00000010100000000101000010000010000000000000000000000000	31-01-085014
CC(C)(C)OC(=O)C1=C2CCC#CCCC2=C(N1C)C(=O)OC(C)(C)C	PC-id_154643640	359.21	JRINQBPUDFGOJZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-085015
CC(C)(C)OC(=O)N1CCCn2c(c(nc2Br)C(=O)N)C1	PC-id_89797038,SCHEMBL15247965	359.219	WKABLYAOLXUZOQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085016
CN1C(=O)C(CCn2c1cc(n2)Br)NC(=O)OC(C)(C)C	SCHEMBL18366662	359.219	GSQNPLGRUUIASL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085017
C1CCc2nnc(n2CC1)/C(=Cc1cc(c(cc1)O)Br)/C#N	PC-id_136028720	359.22	TYWVERZSLFWLAW-WQLSENKSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085018
BrC1=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=CC1=O	PC-id_30228031	359.221	RSANLWHAXZZLCC-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-085019
BrC1=C/C(=C/C(=C/N3CCCCCC3=NN2)/C#N)/C=CC1=O	PC-id_60459750	359.221	RSANLWHAXZZLCC-NJAVVXAXSA-N	00000011000011000111000000000010000000000000000000000000	31-01-085020
Brc1ccc(NN=C(c2n3CCCCCc3nn2)C#N)cc1	EMOLS-id_300954877,PC-id_3309646,MCULE-1498202390	359.224	HYBZFXVYFOZAGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085021
N#C/C(=NNc1ccc(Br)cc1)/c1nnc2n1CCCCC2	CoCoCo_3692360,ZINC22_5574464,PC-id_6368220	359.224	HYBZFXVYFOZAGM-CPNJWEJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085022
N#C/C(=N/Nc1ccc(Br)cc1)/c1nnc2n1CCCCC2	ZINC22_5715283,CoCoCo_3692361,PC-id_5789390	359.224	HYBZFXVYFOZAGM-UYRXBGFRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085023
Clc1c(C(=O)Nc2sc3CCCCCc3n2)cc(F)c(Cl)c1	PC-id_46699306	359.246	RKXMAYBPOVROSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085024
Clc1sc(Cl)cc1C(=O)NCCc1n2CCCCCc2nn1	PC-id_55535134	359.274	SJUBGQXGBGCGHY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-085025
Brc1ccc(/C=N/c2sc3CCCCCc3c2C#N)cc1	PC-id_56688263	359.283	GWZRYCPJHWEKNX-RGVLZGJSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085026
Brc1ccc(C=Nc2sc3CCCCCc3c2C#N)cc1	PC-id_76395041	359.283	GWZRYCPJHWEKNX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085027
O1C[C@@H](N(C(=O)CCc2c3-c(cc2)ccccc3)C1=O)Cc1ccccc1	PC-id_15432210,SCHEMBL8483636	359.418	HWJFVVYHBGLRRE-FQEVSTJZSA-N	00000010100000110111000000000010000000000000000000000000	31-01-085188
Brc1c(C=Nc2sc3CCCCCc3c2C#N)cccc1	EMOLS-id_26151839,PC-id_2354362,MCULE-6540388746	359.283	PZAOEXSCOCYMAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085028
N#Cc1c(/N=Cc2ccccc2Br)sc2c1CCCCC2	CoCoCo_3631788	359.283	PZAOEXSCOCYMAN-JAIQZWGSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085029
N#Cc1c(/N=C/c2ccccc2Br)sc2c1CCCCC2	PC-id_9660905,CoCoCo_3631787,ZINC22_3236495	359.283	PZAOEXSCOCYMAN-RGVLZGJSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085030
c1(NC(=O)Cn2cc3c(CCCCC3)n2)c(F)c(F)c(c(F)c1F)F	CoCoCo_2192274,PC-id_46261612,EMOLS-id_24386867,MCULE-6252780896	359.294	HYMGTADKLCBZON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085031
c12nnnn1CCCCC2C(=O)N(C)CCc1noc(C(F)(F)F)n1	PC-id_119072092,MCULE-3929268643,EMOLS-id_82736093	359.307	VJBSIHRZEICHBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085032
CN(CCc1noc(C(F)(F)F)n1)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_426649763	359.307	VJBSIHRZEICHBB-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085033
CN(CCc1noc(C(F)(F)F)n1)C(=O)[C@H]1CCCCn2nnnc12	ZINC22_426649765	359.307	VJBSIHRZEICHBB-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085034
COC(=O)c1c(NC(=O)C)c(c2-c1ccc(cc2)CC(=O)O)C(=O)OC	PC-id_141580614	359.33	BQAHDBYJZOODMW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-085035
COC(=O)C=CCNC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F	MCULE-2761567834,EMOLS-id_324041799	359.344	RASFOAICDINFTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085036
COC(=O)/C=C/CNC(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2	PC-id_146099368,ZINC22_1875312018	359.344	RASFOAICDINFTI-VMPITWQZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085037
N#CCCN(CCC(F)(F)F)C(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_79071126,PC-id_71856467,MCULE-8504185870,EMOLS-id_43669108	359.347	QCMFLVDIGOEAKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085038
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(C1=O)CC(F)(F)F	EMOLS-id_101725170	359.347	BCPSWAUSABOIFC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085039
FC(COc1ncccc1S(=O)(=O)N1CCCn2c(C1)cnn2)F	EMOLS-id_319644897	359.352	ZXFARWSDIYQALP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085040
CCOC(=O)c1c2-c(ccc(cc2)CC(=O)N[O-])c(c1N)C(=O)OCC	PC-id_88257523	359.353	JYNIZTBRUHQJPP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-085041
CC1(Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)[O-])[N+](=O)[O-])C	PC-id_89580595,SCHEMBL14966365	359.357	QCWUVGJHTXGOAE-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-085042
FC(Cc1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cco2)(F)F	EMOLS-id_99303038	359.363	IWCBULMURYBJOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085043
O(c1c(OC)cc(cc1OC)C=[NH+]NC1=NN=C(N)Cc2n1cnn2)C	PC-id_26478056	359.363	IKWQIAJSPBJTLQ-UHFFFAOYSA-O	00000000100000110111000000000010000000000000000000000000	31-01-085044
O=S(=O)(N1CCCc2c(C1)cco2)Cc1cccc(c1)C(F)(F)F	EMOLS-id_99304535	359.363	HAJXJAWVXQRTHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085045
Cc1csc(N(CC(F)(F)F)C(=O)c2noc3c2CCCCC3)n1	EMOLS-id_313132577,MCULE-2880631330,ZINC22_126755489	359.367	KMACRLNRXGQGMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085046
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cccc(c1)C(F)(F)F	EMOLS-id_101945895	359.367	KOLUOMOJSXGVLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085047
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccccc1C(F)(F)F	EMOLS-id_101945901	359.367	PHCNTYPSYHHBAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085048
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccc(cc1)C(F)(F)F	EMOLS-id_101945922	359.367	HRJCXXVUMVNVNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085049
Fc1ccc(c(F)c1F)S(=O)(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_222761803,ZINC22_670444910,MCULE-1060129553	359.367	GNYMJJCZGXDICM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085050
O=c1sc2c(n1Cc1ccc(OCC(F)(F)F)nn1)CCCCC2	MCULE-4727140600,EMOLS-id_177335901,ZINC22_585091204	359.367	JOABKOZBPIMUPC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085051
O=C(c1noc2c1CCCCC2)NCCc1scc(n1)C(F)(F)F	EMOLS-id_100106385	359.367	IHTBXKFSOAGTLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085052
Cc1csc(n1)C(C(F)(F)F)NC(=O)C1CCn2c(CC1)nnc2	MCULE-3848457322,EMOLS-id_320003970	359.37	OUHCXRADTWRPOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085053
CC(c1scc(n1)C(F)(F)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319988806,MCULE-5801982314	359.37	OTXKHIKKTPVJKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085054
O=C(N1CCCc2c(C1)ccs2)NCC(C(F)(F)F)n1cncn1	EMOLS-id_317989926	359.37	JSRGLNIHNMYSDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085055
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1c(cc(cc1)F)F	PC-id_90625605	359.372	XXWHRUZHAHMKFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085056
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1c(cccc1F)F	PC-id_90625630	359.372	PBOYDSNZTJKAMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085057
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1c(ccc(c1)F)F	PC-id_90625637	359.372	FEQFOEYJGCPMCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085058
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1cc(cc(c1)F)F	PC-id_90625646	359.372	CDCFTPGBLQEGLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085059
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1cc(c(cc1)F)F	PC-id_90625652	359.372	FOZYYSUCWHXLTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085060
CCOC(=O)C(c1nc2-c(c1C(=O)OCC)ccccc2)C(=O)OCC	PC-id_102379005	359.373	GBTHSBKWNAXNSX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-085061
O=C(N1CCCc2c(C1)cnn2C)Cn1c(C)nc2c1cc(F)c(c2)F	EMOLS-id_101678180	359.373	CHVZGOQKTVUYJS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085062
O=C1N(CCc2c3-c(c(c2)C(=O)OC)ccccc3)C(=O)c2c1cccc2	PC-id_9975715	359.375	VPIDZGGHAUBIQJ-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-085063
c1(C(=O)OC)cc2n(CCCN(Cc3cc4OCOc4cc3OC)C2)n1	MCULE-5900017682,EMOLS-id_36567387,ZINC22_67490082,PC-id_56739892	359.376	CTOKNQRPNDHFGJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085064
c1(C(=O)OC)cc2n(CCCN(C(=O)C(O)c3ccc(cc3)OC)C2)n1	MCULE-7601756065,EMOLS-id_32368614,PC-id_50948497	359.376	RGQHAKDNYHMVGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085065
COC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H](O)c1ccc(OC)cc1)C2	ZINC22_65370107,PC-id_95119640	359.376	RGQHAKDNYHMVGV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085066
COC(=O)c1cc2n(n1)CCCN(C(=O)[C@H](O)c1ccc(OC)cc1)C2	ZINC22_65370108,PC-id_95119641	359.376	RGQHAKDNYHMVGV-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085067
n1c(C(CO)O)cc2CN(CCCn12)C(=O)Cc1ccc2c(OCO2)c1	PC-id_91789881,MCULE-3868076399,EMOLS-id_55688449	359.376	RPOMFODWKRONKH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085068
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1ccc2c(c1)OCO2)O	PC-id_99988390	359.376	RPOMFODWKRONKH-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085069
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1ccc2c(c1)OCO2)O	PC-id_99988396	359.376	RPOMFODWKRONKH-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085070
o1c2-c(c(CNc3ccc(c4n[nH]c(=O)cc4C)cc3)c1=O)ccccc2	PC-id_10316404	359.378	VTBIEDPPGKMVNQ-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-085071
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCc1ccc(=O)[nH]n1	MCULE-6933703797,ZINC22_72474115,PC-id_70771199,EMOLS-id_43161254	359.38	CXVOTADRRRAYQN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085072
c12CN(CCCn1nc(CNC(=O)C(=O)c1ccco1)c2)C(=O)N(C)C	ZINC22_91468904,MCULE-6143292859,EMOLS-id_46043127,PC-id_72862682	359.38	CEBYTEBHWNBWMQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-085073
CCNC(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965370,PC-id_89579849	359.38	XHJLFZBNMZTNRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085074
CN1COCN(C(=O)c2c1ncn2CC(=O)Nc1ccc(cc1)OC)C	PC-id_134444499,SCHEMBL20079778	359.38	DEDPOCICLRAKTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085075
CN(C)C(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965560,PC-id_89580010	359.38	NSVSDFRSCOVOHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085076
COc1cc(C(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)on1	EMOLS-id_313771468,ZINC22_1565545421	359.38	HYXGQRGKCRULHR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085077
n12CCC(CCc1nn(CC(=O)NCc1ccc3c(OCO3)c1)c2=O)N	PC-id_91910891,EMOLS-id_50590562,MCULE-5945578753	359.38	FLQLDFYKVXQQEX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085078
O(CC(=O)NCCc1n2CCCCCc2nn1)c1ccc([N+](=O)[O-])cc1	PC-id_52547165	359.38	ZCSOVKTUCZCIOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085079
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)CCC1N=NC(=O)C=C1	PC-id_78086830	359.38	RTTAECBLKNFKHN-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-085080
O=C(NCCc1n2CCCCCc2nn1)c1cc([N+](=O)[O-])c(OC)cc1	PC-id_55487918	359.38	IMQIPWFMQXKHTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085081
O=C(NCCc1n2CCCCCc2nn1)c1c(OC)ccc([N+](=O)[O-])c1	PC-id_55535558	359.38	XBLHWILIMQFUIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085082
O=C1Nc2ncn(c2C(=O)C=NN1Cc1ccccc1)Cc1ccccc1	PC-id_101704924	359.381	SNXVAIMOOVBALA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-085083
c12nnnn1CCCCC2C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	MCULE-6721753164,PC-id_50952081,EMOLS-id_32375630	359.383	RGHADVKWSZUKNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085084
Cc1nc2nc(cc(=O)n2[nH]1)CN1CCCn2c(cc(n2)C(CO)O)C1	PC-id_91786842	359.383	PASGKXFUKQYQME-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085085
Cc1nc2nc(CN3CCCn4nc(cc4C3)C(O)CO)cc(O)n2n1	EMOLS-id_55679569,MCULE-3188187883	359.383	GNMQDDLYXQONSU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085086
CC([C@@H]1CCc2n1nc(n2)C(=O)N[C@H]1COn2c(N(C1=O)C)ccn2)C	SCHEMBL18366643	359.383	VJUFNDPHGFPHFA-QWRGUYRKSA-N	00000010100000000101000010000010000000000000000000000000	31-01-085087
CC([C@H]1CCc2n1nc(n2)C(=O)N[C@H]1COn2c(N(C1=O)C)ccn2)C	SCHEMBL18366661	359.383	VJUFNDPHGFPHFA-WDEREUQCSA-N	00000010100000000101000010000010000000000000000000000000	31-01-085088
COC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]1CCCCn3nnnc13)C2	ZINC22_65375026,PC-id_95121431	359.383	RGHADVKWSZUKNZ-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085089
COC(=O)c1cc2n(n1)CCCN(C(=O)[C@H]1CCCCn3nnnc13)C2	ZINC22_65375028,PC-id_95121432	359.383	RGHADVKWSZUKNZ-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085090
OC[C@@H](c1nn2c(c1)CN(CCC2)Cc1cc(=O)n2c(n1)nc([nH]2)C)O	PC-id_99984131	359.383	PASGKXFUKQYQME-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085091
OC[C@H](c1nn2c(c1)CN(CCC2)Cc1cc(=O)n2c(n1)nc([nH]2)C)O	PC-id_99984136	359.383	PASGKXFUKQYQME-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085092
O=C(N1CCN(CC1)C(=O)c1noc2c1CCCCC2)Cn1cnnn1	EMOLS-id_111829916	359.383	ILTRNTOXYJXGLE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085093
O=C(c1noc2c1CCCCC2)NCC1CCN(CC1)CC(F)(F)F	EMOLS-id_100146401	359.387	KLCHBXSVAFGFKK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085094
C1(CC1)(C(F)(F)F)C(=O)NC(CC(C)C)c1nnc2CCNCCn12	PC-id_56715311,EMOLS-id_36450877,MCULE-1841230938	359.39	HOPCZJUQWKRHRW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-085095
CC(C)C[C@H](NC(=O)C1(C(F)(F)F)CC1)c1nnc2n1CCNCC2	PC-id_95210301,ZINC22_67774530	359.39	HOPCZJUQWKRHRW-NSHDSACASA-N	00100000100000000101000000000010000000000000000000000000	31-01-085096
CC(C)C[C@@H](NC(=O)C1(C(F)(F)F)CC1)c1nnc2n1CCNCC2	PC-id_95210302,ZINC22_67774532	359.39	HOPCZJUQWKRHRW-LLVKDONJSA-N	00100000100000000101000000000010000000000000000000000000	31-01-085097
CCN(C(=O)C1CCn2c(CC1)nnc2)C1CCN(C1)CC(F)(F)F	EMOLS-id_316691127	359.39	ODYNVRGNJQSCDP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085098
FC(F)(F)C1CCCN(C1)C(=O)NCCc1n2CCCCCc2nn1	EMOLS-id_110378866,PC-id_75893019	359.39	UKCMEHVSSXROGA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085099
FC(F)(F)[C@H]1CCCN(C1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_52651115	359.39	UKCMEHVSSXROGA-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085100
FC(F)(F)[C@@H]1CCCN(C1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_52651116	359.39	UKCMEHVSSXROGA-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085101
O=C(N1CCC(C1(C)C)C(F)(F)F)NCc1nnc2n1CCCCC2	EMOLS-id_111280753	359.39	GPXCZTMSUCIPRI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085102
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(CC1)CC(F)(F)F	EMOLS-id_101716628	359.39	XTNVHYKLTZYKLD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085103
O=C(N1CCCc2c(C1)cnn2C)NCC1CCN(C1)CC(F)(F)F	EMOLS-id_101719809	359.39	JAGBZCKDFHDJST-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085104
O=C(NC1CCC(CC1)C(F)(F)F)NCc1nnc2n1CCCCC2	EMOLS-id_110375765	359.39	AFBBBJSFYAZGTN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085105
C1CN(CCc2c1nc(o2)C(=O)N1CCOCC1)Cc1ccccc1F	PC-id_134808002	359.395	UTMGLUXGFBMLGI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-085106
C1CN(CCc2c1nc(o2)C(=O)N1CCOCC1)Cc1cc(ccc1)F	PC-id_134808597	359.395	GIJKXLWDEZQVLO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-085107
C[C@@](CC(=O)O)(NC(=O)c1n[nH]c2c1CCCCC2)c1ccc(F)cc1	ZINC22_2325865868	359.395	STRQXOXDZGWTBF-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-085108
C[C@](CC(=O)O)(NC(=O)c1n[nH]c2c1CCCCC2)c1ccc(F)cc1	ZINC22_2325865869	359.395	STRQXOXDZGWTBF-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085109
Fc1ccc(OCC(=O)N2CC(Cn3nccc3C2)OCC2CC2)cc1	EMOLS-id_50011196	359.395	YATRWNGMPJXUOO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-085110
O=C(c1noc2c1CCCCC2)N1CCCC(C1)Oc1ncccc1F	EMOLS-id_100538424	359.395	QLHYRYFEYRGKNA-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-085111
O=C(COc1ccc(F)cc1)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_247753757	359.395	YATRWNGMPJXUOO-GOSISDBHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-085112
O=C(COc1ccc(F)cc1)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_247753760	359.395	YATRWNGMPJXUOO-SFHVURJKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-085113
c1(NC(=O)c2ccc3c(OCO3)c2)sc2c(CCCCC2)c1C(=O)O	MCULE-4396621026,EMOLS-id_179129684,PC-id_28860453	359.396	AWEAJMYWFOYDHU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085114
c12nnnn1CCCCC2C(=O)N1CCC(CC1)Oc1ccccc1F	EMOLS-id_316243493,MCULE-5470689640	359.398	JVIRDCXPOOUQMP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-085115
c12nnnn1CCCCC2C(=O)N1CCC(CC1)Oc1cccc(F)c1	PC-id_118774641,EMOLS-id_68899279,MCULE-4577909734	359.398	FRNUGCMTVYJXCH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-085116
CC1Cc2nnc(COc3ncccc3F)n2CCN1C(=O)CC1CC1	EMOLS-id_313824036	359.398	NUFUBMZQWRPRNO-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-085117
C[C@@H]1Cc2nnc(COc3ncccc3F)n2CCN1C(=O)CC1CC1	ZINC22_585097748	359.398	NUFUBMZQWRPRNO-GFCCVEGCSA-N	00100000100000101101000000000010000000000000000000000000	31-01-085118
C[C@H]1Cc2nnc(COc3ncccc3F)n2CCN1C(=O)CC1CC1	ZINC22_585097749	359.398	NUFUBMZQWRPRNO-LBPRGKRZSA-N	00100000100000101101000000000010000000000000000000000000	31-01-085119
CC(=O)NCc1nnc2CCN(CCn12)C(=O)Cc1cc(F)ccc1C	ZINC22_67884697,EMOLS-id_36443944,MCULE-8447716714,PC-id_56711948	359.398	KRRZQTMPUQFBGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085120
CN(Cc1nnc2n1CCOCC2)C(=O)N[C@H]1CCc2c(F)cccc12	ZINC22_1615554640	359.398	YGKYINOEZDWUBN-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085121
CN(Cc1nnc2n1CCOCC2)C(=O)N[C@@H]1CCc2c(F)cccc12	ZINC22_1615554645	359.398	YGKYINOEZDWUBN-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085122
Fc1ccc(cc1)NC(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97405199	359.398	QXWPBMWREXCZHG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-085123
Fc1ccccc1NC(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_168607884,MCULE-8988141263	359.398	GDIQFCWBRDILLB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-085124
Fc1cc(ccn1)C(=O)N1CCc2ncc(CN3CCOCC3)n2CC1	ZINC22_585110618,EMOLS-id_313781195	359.398	LMEOAIDIZYIDDG-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-085125
Fc1cc(ccn1)C(=O)N1CC(CN2CCOCC2)Cn2ccnc2C1	EMOLS-id_313722077	359.398	ILCVRXUHUGKDLH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-085126
Fc1ccc(C(=O)NCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55535563	359.398	GVOUSXVCNNWQMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085127
Fc1cc(C(=O)NCC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_78844150	359.398	NBITURZTBIINFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085128
Fc1c(C(=O)NCCc2n3CCCCCc3nn2)cc(NC(=O)C)cc1	PC-id_60569135	359.398	IZPHZCJOIRZKRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085129
O=C(c1ccnc(F)c1)N1Cc2nccn2C[C@H](CN2CCOCC2)C1	ZINC22_585110678	359.398	ILCVRXUHUGKDLH-AWEZNQCLSA-N	00000000100010101101000000000010000000000000000000000000	31-01-085130
O=C(c1ccnc(F)c1)N1Cc2nccn2C[C@@H](CN2CCOCC2)C1	ZINC22_585110679	359.398	ILCVRXUHUGKDLH-CQSZACIVSA-N	00000000100010101101000000000010000000000000000000000000	31-01-085131
O=C([C@H]1CCCCn2nnnc12)N1CCC(Oc2ccccc2F)CC1	ZINC22_1506402568	359.398	JVIRDCXPOOUQMP-AWEZNQCLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-085132
O=C([C@@H]1CCCCn2nnnc12)N1CCC(Oc2ccccc2F)CC1	ZINC22_1506402575	359.398	JVIRDCXPOOUQMP-CQSZACIVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-085133
O=C([C@H]1CCCCn2nnnc12)N1CCC(Oc2cccc(F)c2)CC1	ZINC22_299777796	359.398	FRNUGCMTVYJXCH-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-085134
O=C([C@@H]1CCCCn2nnnc12)N1CCC(Oc2cccc(F)c2)CC1	ZINC22_299777810	359.398	FRNUGCMTVYJXCH-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-085135
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(cc1F)C(=O)N(C)C	EMOLS-id_318064834	359.398	LAPZBIIGFXMOSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085136
O=C(N(Cc1nnc2n1CCOCC2)C)NC1CCc2c1cccc2F	EMOLS-id_320328387,MCULE-4376436880	359.398	YGKYINOEZDWUBN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085137
S(=O)(=O)(N1C(CCC1)C(=O)OC)CC1n2c(noc2=O)CCCC1	PC-id_22901420	359.398	PPDBTXUEBNJUBZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085138
C1CCc2c(CC1)sc(c2)C(=O)N/N=Cc1cc(c(cc1)O)[N+](=O)[O-]	PC-id_135731435	359.4	KDXZSGHWXYFISZ-ZDLGFXPLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085139
C1CCc2c(CC1)sc(c2)C(=O)N/N=C/c1cc(c(cc1)O)[N+](=O)[O-]	PC-id_135731436	359.4	KDXZSGHWXYFISZ-VCHYOVAHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085140
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)N	CoCoCo_6782306,MCULE-8744549222,ZINC22_6331647,EMOLS-id_1771326,PC-id_5049440,TIMTEC368963	359.4	OXHZOZHRGYWKOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085141
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_1774018,ZINC22_671469,TIMTEC251323,SPECS-id_AK-968/13029125,PC-id_1011007,MCULE-6139140018,CoCoCo_900129	359.4	JWCDZXIXZPQUDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085142
Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)no1	PC-id_4847833,MCULE-3759812845,EMOLS-id_3424151,ZINC22_6508191,CoCoCo_2879393	359.4	SRUDCRZCADRGFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085143
Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)on1	MCULE-9003980559,PC-id_27792067,ZINC22_17992254,EMOLS-id_30689396	359.4	ROVIGYJBBVEIHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085144
COc1c(cc(cc1)CNC(=O)n1c(=O)c2=CCC=CN=c2s1)OC	PC-id_134187210,SCHEMBL19789952	359.4	ULCQSNIJSQRMHH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-085145
COC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)C	SCHEMBL12598915,PC-id_58256633	359.4	YSGHSONBCLFLEE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085146
CS(=O)(=O)c1nc(C(=O)N2CCCc3occc3C2)c2ccccn12	EMOLS-id_177270787,MCULE-7668096151,ZINC22_289048083	359.4	FHOJEVOTRIJKRK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085147
NC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCCC2	PC-id_3409376,ZINC22_6336238	359.4	OFJAUPSCIMXEIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085148
O=C(c1cc2c(s1)n(C)c(=O)n(c2=O)C)N1CCCc2c(C1)cco2	EMOLS-id_101307933	359.4	OTTPPULSQISRGD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085149
s1c2CCCCCc2cc1C(=O)NNC=C1C=C([N+](=O)[O-])C(=O)C=C1	PC-id_8159473	359.4	QJLSPXATOONQDY-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-085150
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_9301125	359.4	QEJJDUQAQJZVPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085151
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1	PC-id_9301108	359.4	LQSQQWLMQLNRHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085152
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c([N+](=O)[O-])cccc1	PC-id_26995116	359.4	BRFPFSYDPQQYBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085153
Fc1ccc(cc1)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183072	359.401	SCPCRDFZRBCUPE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085154
O=C(N1CCN(CC1)c1ccccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102183066	359.401	JOVOCJULERXNFS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085155
O=C(NC1CCn2c(CC1)nnn2)NC1CCN(C1)c1ccccc1F	EMOLS-id_102180012	359.401	ZCBGVBTXCYCTDA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-085156
c1(cc(=O)nc2sccn12)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	MCULE-7481007568,EMOLS-id_55682279,PC-id_91787777	359.403	ASMFEEKVVLJTOS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085157
c1(cn2c(scc2)n1)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	PC-id_56895180,MCULE-1672569871,EMOLS-id_43110931,ZINC22_72425827	359.403	GGNQKJQHEJXXOZ-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-085158
c1(C(=O)N2CCCn3c(cc(n3)C(=O)OC)C2)c(C)nc2sccn12	MCULE-1620595667,EMOLS-id_32398300,PC-id_50964044,ZINC22_65405260	359.403	XJGIAEFEISNGEV-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-085159
c1(C(=O)OC)cc2n(CCCN(C(=O)Cc3cn4c(scc4)n3)C2)n1	EMOLS-id_32371988,ZINC22_65372293,PC-id_50950221,MCULE-7743420188	359.403	CZJMWDMMLNPUAE-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-085160
c1(NC(=O)C(C)n2ncc(N(=O)=O)c2)sc2c(CCCCC2)c1C#N	TIMTEC180304,PC-id_4916222,EMOLS-id_6803044,MCULE-5041335342	359.403	GUYGNJXJTUOCPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085161
c1(NC(=O)Cn2ncc(N(=O)=O)c2)sc2c(CCCCCC2)c1C#N	MCULE-9694319647,TIMTEC296048,CoCoCo_5818528,EMOLS-id_8835040,ZINC22_2742932,PC-id_19577430	359.403	LTYBBYHAWZOOHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085162
c1(N(=O)=O)cc(n(CC(=O)Nc2sc3c(CCCCC3)c2C#N)n1)C	SPECS-id_AK-968/11841023,CoCoCo_153819,MCULE-9015414286,BAS-00924105,ZINC22_2729099,Chemmine_58266,STOCK2S-38367,PC-id_3123002,EMOLS-id_1293905	359.403	FOGRUPBLILNMKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085163
Cc1occ(n1)c1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316710653	359.403	OFXBHPDKTUKMGR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-085164
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)n1cc([N+](=O)[O-])cn1	ZINC22_4686781,PC-id_7319497,CoCoCo_1979739	359.403	GUYGNJXJTUOCPQ-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-085165
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)n1cc([N+](=O)[O-])cn1	ZINC22_4686783,PC-id_7319498,CoCoCo_1979738	359.403	GUYGNJXJTUOCPQ-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085166
Cn1nnnc1c1cccc(c1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99300613	359.403	RPEMGXFJGOOUEY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-085167
CNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCn2nc(cc2C1)C#N	MCULE-6672182837,EMOLS-id_316251479,ZINC22_1506424892	359.403	MKCPDQNCKIOYKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085168
COc1cc(c2noc(Cn3c4c(sc3=O)CCCCC4)n2)ncn1	MCULE-9798200640,ZINC22_521007979,EMOLS-id_316147767	359.403	DLTRXPNLFRPUTE-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-085169
O=c1nc2sccn2c(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99985537	359.403	ASMFEEKVVLJTOS-SNVBAGLBSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085170
O=c1nc2sccn2c(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99985543	359.403	ASMFEEKVVLJTOS-JTQLQIEISA-N	00000000100000100101000001000010000000000000000000000000	31-01-085171
OC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)Cc1nnc2n1CCCCC2	PC-id_25536128,CoCoCo_4572285,MCULE-8611205715,EMOLS-id_317262315	359.403	HNPNKRFIKRPZOM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085172
O=S(=O)(Cc1noc(c2ccccc2)n1)c1nnc2n1CCCCC2	ZINC22_119054239,EMOLS-id_189656643,MCULE-7727639416	359.403	IFDFWPIKEOERJW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-085173
S1C2=NC(=NC(=O)C2C(=C1C(=O)O)C)Cc1n2CCCCCc2nn1	PC-id_74459339	359.403	HXCVKQGBSKTWEL-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-085174
c12C(CCCCn1nnn2)C(=O)NCc1onc(Cc2cccs2)n1	PC-id_74233261,EMOLS-id_49645404,MCULE-5703351093	359.406	NARKVQBYWGQXBV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-085175
O=C(c1cnc2n(c1=O)c(C)c(s2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102180957	359.406	LHTLEHQIUKWMBP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085176
O=C(NCc1nc(Cc2cccs2)no1)[C@@H]1CCCCn2nnnc12	PC-id_97872281,ZINC22_97334258	359.406	NARKVQBYWGQXBV-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-085177
O=C(NCc1nc(Cc2cccs2)no1)[C@H]1CCCCn2nnnc12	PC-id_97872282,ZINC22_97334259	359.406	NARKVQBYWGQXBV-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-085178
O=S(=O)(c1ccccc1Cn1cncn1)N1CCCn2c(C1)cnn2	EMOLS-id_320322365,MCULE-1682751633	359.406	HJIFIQLBDSVHOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085179
C1CCc2c(CC1)sc(c2)C(=O)NN=C1CCN(C1)CC(F)(F)F	PC-id_91942790,EMOLS-id_48782044,MCULE-4351967936	359.41	YSFRQGQOILDFIZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-085180
s1c2CCCCCc2cc1C(=O)N/N=C
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CC(OC(=O)COC1CCc2n(nnc2C(CC1)(F)F)C(C)(C)C)C	PC-id_118284568,SCHEMBL16980290	359.411	QDIJJKLTFKCGEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085182
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)O	MCULE-2808061493	359.415	SIKWBPMSYUETKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085183
OC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2CCCCCc12	EMOLS-id_179129733,PC-id_28860493	359.415	SIKWBPMSYUETKQ-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085184
CCCCCc1c2-c(ccc(cc2)C(=O)NO)c(c1C)OC(=O)OCC	PC-id_88317203,SCHEMBL8526412	359.416	YAEOCTLNCBSKPY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-085185
CCCCCCc1cc(c2-c1cc(ccc2)C(=O)NO)OC(=O)OCC	SCHEMBL8335523	359.416	RUUCPXCINLXTIH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-085186
CCOC(=O)Oc1c2-c(c(c1C)CCC(C)C)ccc(cc2)C(=O)NO	SCHEMBL8526034,PC-id_88317083	359.416	AHAPUBFHUBPRJN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-085187
O1CC(N(C(=O)CCc2c3-c(cc2)ccccc3)C1=O)Cc1ccccc1	PC-id_19606516	359.418	HWJFVVYHBGLRRE-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-085189
c1(C(=O)OC)cc2n(CCCN(Cc3ccc(C4CCCCO4)o3)C2)n1	PC-id_50980911,MCULE-9196225327,EMOLS-id_32430118	359.419	UFTKKASNQVWLPP-UHFFFAOYSA-N	00000000101010000101100000000010000000000000000000000000	31-01-085190
CC[C@@H](O)c1cc2n(n1)CCCN(Cc1ccccc1OCC(=O)O)C2	PC-id_99972925,ZINC22_217038614	359.419	JCFUILKUMDUBAE-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085191
CC[C@H](O)c1cc2n(n1)CCCN(Cc1ccccc1OCC(=O)O)C2	PC-id_99972927,ZINC22_217038652	359.419	JCFUILKUMDUBAE-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085192
CCC(O)c1cc2CN(Cc3ccccc3OCC(=O)O)CCCn2n1	EMOLS-id_55620902,PC-id_91766441,MCULE-8300898544	359.419	JCFUILKUMDUBAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085193
CCOc1ccc(cc1)OC(c1nnc2n1CCC(CC2)C(=O)OC)C	EMOLS-id_316954944,PC-id_136557164,MCULE-4832077548	359.419	SIGSTJLRKNJZQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085194
CCOc1ccc(O[C@@H](C)c2nnc3n2CC[C@@H](C(=O)OC)CC3)cc1	ZINC22_601044887	359.419	SIGSTJLRKNJZQN-KBPBESRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085195
CCOc1ccc(O[C@H](C)c2nnc3n2CC[C@@H](C(=O)OC)CC3)cc1	ZINC22_601044889	359.419	SIGSTJLRKNJZQN-KGLIPLIRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085196
CCOc1ccc(O[C@@H](C)c2nnc3n2CC[C@H](C(=O)OC)CC3)cc1	ZINC22_601044890	359.419	SIGSTJLRKNJZQN-UONOGXRCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085197
CCOc1ccc(O[C@H](C)c2nnc3n2CC[C@H](C(=O)OC)CC3)cc1	ZINC22_601044891	359.419	SIGSTJLRKNJZQN-ZIAGYGMSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085198
COc1ccc(CCC(=O)N2CCCn3nc(cc3C2)C(O)CO)cc1	EMOLS-id_50541851,PC-id_90651690,MCULE-6447470175	359.419	IVTUWYCYIODVQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085199
COc1ccc(CCC(=O)N2CCCn3nc([C@H](O)CO)cc3C2)cc1	ZINC22_221229518,PC-id_100066166	359.419	IVTUWYCYIODVQN-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085200
COc1ccc(CCC(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)cc1	ZINC22_221229579,PC-id_100066167	359.419	IVTUWYCYIODVQN-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085201
COC(=O)c1cc2n(n1)CCCN(Cc1ccc([C@@H]3CCCCO3)o1)C2	ZINC22_65506684,PC-id_95144175	359.419	UFTKKASNQVWLPP-KRWDZBQOSA-N	00000000101010000101100000000010000000000000000000000000	31-01-085202
COC(=O)c1cc2n(n1)CCCN(Cc1ccc([C@H]3CCCCO3)o1)C2	ZINC22_65506686,PC-id_95144176	359.419	UFTKKASNQVWLPP-QGZVFWFLSA-N	00000000101010000101100000000010000000000000000000000000	31-01-085203
O=C(CCCOc1ccccc1)N1CCCn2nc([C@H](O)CO)cc2C1	ZINC22_221379368,PC-id_100067532	359.419	XTNFDHOHZQITNS-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085204
O=C(CCCOc1ccccc1)N1CCCn2nc([C@@H](O)CO)cc2C1	ZINC22_221379420,PC-id_100067533	359.419	XTNFDHOHZQITNS-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085205
s1c(NC(=O)C2C3OC(C2C(=O)[O-])CC3)c(c2c1CCCCC2)C#N	PC-id_74533603	359.419	RYXMVXQAXNBIMW-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-085206
s1c(NC(=O)[C@H]2[C@@H]3O[C@H]([C@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C#N	PC-id_27519558	359.419	RYXMVXQAXNBIMW-PAPYEOQZSA-M	00000010100010000100000000000110000000000000000000000000	31-01-085207
s1c(NC(=O)[C@H]2[C@@H]3O[C@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C#N	PC-id_27519560	359.419	RYXMVXQAXNBIMW-DHMWGJHJSA-M	00000010100010000100000000000110000000000000000000000000	31-01-085208
s1c(NC(=O)[C@@H]2[C@@H]3O[C@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C#N	PC-id_51706284	359.419	RYXMVXQAXNBIMW-OSRDXIQISA-M	00000010100010000100000000000110000000000000000000000000	31-01-085209
CC(C)(C)OC(=O)N1CCC=C1C(=O)N1CCCCc2c1cc([nH]2)C=O	SCHEMBL6766957,PC-id_88039614	359.42	KZYREFRUXPLYEL-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-085210
COCCNC(=O)c1nc2c(o1)CCN(CC2)Cc1ccc(cc1)OC	PC-id_134806235	359.42	XMIWMNIUAYJRAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085211
n1c(C(CO)O)cc2CN(CCCn12)C(=O)CCCOc1ccccc1	EMOLS-id_50547595,PC-id_90653259,MCULE-6525090690	359.42	XTNFDHOHZQITNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085212
C[C@@H](Sc1nnc2n1CCCCC2)c1nnc(c2ccc(F)cc2)o1	PC-id_41312104,CoCoCo_4013251,ZINC22_9992988	359.421	CDOWBRMYOWGVIW-LLVKDONJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-085213
C[C@H](Sc1nnc2n1CCCCC2)c1nnc(c2ccc(F)cc2)o1	ZINC22_9992977,CoCoCo_4013250,PC-id_41312102	359.421	CDOWBRMYOWGVIW-NSHDSACASA-N	00000000100000110101100000000010000000000000000000000000	31-01-085214
Cn1ncc2c1CCCN(CC(=O)Nc1nc3ccc(F)cc3s1)C2	ZINC22_664864440,MCULE-7916959198,PC-id_136547530,EMOLS-id_316873099	359.421	DEFJTHOMPNWVOA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085215
COc1ccc(cc1)Cn1c2c(cn1)C(=O)C=CCN2Cc1ccccc1	PC-id_89705383,SCHEMBL15130160	359.421	KVAHDDYDFPLERD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-085216
COc1ccc(cc1)Cn1nc2c(c1)C(=O)C=CCN2Cc1ccccc1	SCHEMBL366706,PC-id_66667705	359.421	ZMTFGKPEAGKZFY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-085217
Fc1ccc(cc1)c1nnc(o1)C(Sc1nnc2n1CCCCC2)C	MCULE-3160067378,EMOLS-id_11830029,PC-id_16375045	359.421	CDOWBRMYOWGVIW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-085218
Fc1cccnc1OCC1CN(Cc2nccs2)Cc2cncn2C1	EMOLS-id_49233525	359.421	WFWOENFHURBSKP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085219
Fc1cccnc1OC[C@H]1CN(Cc2nccs2)Cc2cncn2C1	PC-id_97477696,ZINC22_96209569	359.421	WFWOENFHURBSKP-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085220
Fc1cccnc1OC[C@@H]1CN(Cc2nccs2)Cc2cncn2C1	PC-id_97477697,ZINC22_96209570	359.421	WFWOENFHURBSKP-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085221
O=C1c2c(ccn2Cc2ccccc2)/C(=N/O)/CCN1Cc1ccccc1	CHEMBL1796978	359.421	FGRDMECZRZMELM-BSYVCWPDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085222
O=C1N(CCC(=NO)c2c1n(Cc1ccccc1)cc2)Cc1ccccc1	PC-id_56673584	359.421	FGRDMECZRZMELM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085223
O=C(N1CCCc2c(C1)cnn2C)Nc1sc2c(n1)cc(c(c2)C)F	EMOLS-id_101865105	359.421	IVOOUHOHPXVKHF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085224
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCCn1ccnc1C	ZINC22_72476908,EMOLS-id_43168912,MCULE-1708945863,PC-id_70777061	359.423	LCHHCVOAGBLGBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085225
c12C(N(N(C=Nc1ncn2Cc1ccc(cc1)OC)C)C)OCCOC	CHEMBL267463,PC-id_11439793,BindingDB_PC-id_11439793	359.423	XVQWTNYKFPHMFD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-085226
c1(cc(oc1C)C)C(=O)NCc1cc2n(CCCN(C2)C(=O)N(C)C)n1	PC-id_70752023,ZINC22_82121381,EMOLS-id_44440103,MCULE-4279748423	359.423	TWNIQVYZOWUODF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-085227
c1(CN(C)C(=O)Nc2ccc(nc2OC)OC)c2CCCCCc2[nH]n1	PC-id_118783420,MCULE-8536632729,ZINC22_299777774,EMOLS-id_68917096	359.423	OVUHUNDDKMMAER-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085228
c1(C(O)C2CCC2)cc2n(CCCN(CC(=O)Nc3cc(on3)C)C2)n1	MCULE-7381752060,PC-id_91765747,EMOLS-id_55618916	359.423	CNQHMGGXDHKJHK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-085229
c1(C(=O)N)cn2c(CCN(CC2)C(=O)C2CC(=O)N(C3CCCC3)C2)n1	MCULE-1810430932,EMOLS-id_331134464	359.423	PNGRDIAATJEZLM-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085230
c1(C(=O)OC)cc2n(CCCN(C2)C(=O)C(C)n2ccnc2C(C)C)n1	PC-id_50948806,EMOLS-id_32369220,MCULE-5609414095	359.423	NUBWTQKABLAUGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085231
c1(onc(N2CCOCC2)c1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	MCULE-7395031081,EMOLS-id_317877184,ZINC22_1772817503	359.423	RQWVZZBGZUJCDV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085232
CC1(C)Cc2n[nH]cc2CN(C(=O)c2coc(CN3CC[C@H](O)C3)n2)C1	MCULE-8320242851,ZINC22_685944034,EMOLS-id_316139392	359.423	XPWKTJKEIGSOKK-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085233
Cc1cc(C)n([C@H](C)C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)n1	PC-id_97207878,ZINC22_95387576	359.423	ZZLUWLQERQSQBP-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085234
Cc1cc(C)n([C@@H](C)C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)n1	ZINC22_95387575,PC-id_97207877	359.423	ZZLUWLQERQSQBP-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085235
Cc1cc(NC(=O)CN2CCCn3nc([C@@H](O)C4CCC4)cc3C2)no1	PC-id_100027844,ZINC22_218846810	359.423	CNQHMGGXDHKJHK-SFHVURJKSA-N	00001000100000000101000000000010000000000000000000000000	31-01-085236
Cc1cc(NC(=O)CN2CCCn3nc([C@H](O)C4CCC4)cc3C2)no1	PC-id_100027846,ZINC22_218846887	359.423	CNQHMGGXDHKJHK-GOSISDBHSA-N	00001000100000000101000000000010000000000000000000000000	31-01-085237
Cc1nocc1C(=O)N1CCCn2cnc(C(=O)NCC(C)(C)C)c2C1	ZINC22_1565554838,EMOLS-id_313787192	359.423	GTZWIOBTSITYTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085238
Cc1noc(C)c1CC(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922756,EMOLS-id_50586277,MCULE-4117338283	359.423	TVHJYQLFVWFAKH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-085239
Cc1noc(C)c1Cn1nc2CCC(CCn2c1=O)C(=O)NCC1CC1	EMOLS-id_207876755,MCULE-3200499441	359.423	MFKCXOMVAXSOLT-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-085240
CC(C)Oc1cccc(CNC(=O)NCc2nnc3n2CCOCC3)c1	MCULE-1773506062,ZINC22_1615589905,EMOLS-id_320316358	359.423	JDPKJDNJDJFKMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085241
CC(C(=O)N1CCCn2nc(CCC(=O)O)cc2C1)n1nc(C)cc1C	MCULE-1172763731,PC-id_72928521,EMOLS-id_46645574	359.423	ZZLUWLQERQSQBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085242
CC(O)c1cc2CN(CCCn2n1)C(=O)CCc1c(C)nc(O)nc1C	MCULE-7613806275,PC-id_91794652,EMOLS-id_55702548	359.423	RHZYLKOTORMQOB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085243
CCOc1cc(ccc1O)CN1CCn2c(CC1)nnc2CNC(=O)C	ChEMBL-DNDi_CHEMBL37697790	359.423	PJZWXTUOKCBHCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085244
CCOC(=O)c1c(C)[nH]c(C(=O)NCc2nnc3n2CCCCC3)c1C	PC-id_17442161,MCULE-1654037018,CoCoCo_3865674,EMOLS-id_13452518,ZINC22_14086741	359.423	YXEDFTDHDPXDNA-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-085245
Cn1c(=O)n2CCC(CCc2n1)N(C)C(=O)NCc1cc(ccc1)OC	PC-id_91922714	359.423	RSTPJVLFFBOKQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085246
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cn1ccccc1=O)C2	PC-id_100176107,ZINC22_222994087	359.423	WARUDAQWQJWACR-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085247
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)Cn1ccccc1=O)C2	ZINC22_222994136,PC-id_100176116	359.423	WARUDAQWQJWACR-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085248
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)Cn1ccccc1=O	PC-id_91788695,EMOLS-id_55684939,MCULE-1715024456	359.423	WARUDAQWQJWACR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085249
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)Cn1ccc(=O)cc1	EMOLS-id_55607310,MCULE-1430550439,PC-id_91761586	359.423	AWURUCDVLJJDAQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085250
CN(C[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cn1ccc(=O)cc1)O)C	PC-id_100009747	359.423	AWURUCDVLJJDAQ-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085251
CN(C[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cn1ccc(=O)cc1)O)C	PC-id_100009754	359.423	AWURUCDVLJJDAQ-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085252
C[NH2+]c1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)C	PC-id_144077544	359.423	SAWXWQXXEYASFM-UHFFFAOYSA-O	00000000100000101101000000000010000000000000000000000000	31-01-085253
COc1ccc(cn1)C(=O)N1CCCn2nc(cc2C1)C(O)CN(C)C	MCULE-3770805390,PC-id_91778045,EMOLS-id_55654142	359.423	ZRLRCVPHURYLAM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085254
COc1ccc(C(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)cn1	PC-id_100056990,ZINC22_220347760	359.423	ZRLRCVPHURYLAM-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085255
COc1ccc(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)cn1	ZINC22_220347688,PC-id_100056988	359.423	ZRLRCVPHURYLAM-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085256
COCCn1ccc(C(=O)N2Cc3ccnn3C[C@@H](OCC3CC3)C2)n1	ZINC22_585099035	359.423	FITLTXURPYHKFO-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-085257
COCCn1ccc(C(=O)N2Cc3ccnn3C[C@H](OCC3CC3)C2)n1	ZINC22_585099036	359.423	FITLTXURPYHKFO-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-085258
COCCn1ccc(n1)C(=O)N1CC(Cn2nccc2C1)OCC1CC1	EMOLS-id_313731250	359.423	FITLTXURPYHKFO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-085259
COC(=O)c1cc2n(n1)CCCN(C(=O)[C@H](C)n1ccnc1C(C)C)C2	PC-id_95119800,ZINC22_65370510	359.423	NUBWTQKABLAUGX-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085260
COC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H](C)n1ccnc1C(C)C)C2	PC-id_95119801,ZINC22_65370511	359.423	NUBWTQKABLAUGX-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085261
COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2nnc3n2CCCCC3)c1C	ZINC22_13018370,CoCoCo_4453001,MCULE-2156635759,PC-id_25674232,EMOLS-id_44023027	359.423	KCWFXTKBHGRZKY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-085262
COC(=O)c1c(C)[nH]c(C(=O)NCCc2nnc3n2CCCCC3)c1C	ZINC22_14157846,CoCoCo_4559866,EMOLS-id_13515090,PC-id_17454734,MCULE-6098375104	359.423	OPSNARAOFMLGDT-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-085263
NC(=O)c1cn2c(n1)CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CC2	ZINC22_1875241098	359.423	PNGRDIAATJEZLM-GFCCVEGCSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085264
NC(=O)c1cn2c(n1)CCN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CC2	ZINC22_1875241099	359.423	PNGRDIAATJEZLM-LBPRGKRZSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085265
O1C(CCCC1)Cn1c2c(nc1)c(=O)nc(NC1CCCCC1)[nH]c2=O	PC-id_45187230	359.423	LRHVQGUGDBLHNY-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-085266
o1nc(nc1C1CCCC1)CN1CCCn2nc(cc2C1)CCC(=O)O	PC-id_56886881,MCULE-6750925826,EMOLS-id_43076733	359.423	JDGOORQTKMNLJK-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085267
O(c1c(CN2CCn3c(nnc3CNC(=O)C)CC2)ccc(OC)c1)C	PC-id_42423226	359.423	XAPAPEYCCFIBPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085268
O=c1nc(C)c(c([nH]1)C)CCC(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99994758	359.423	RHZYLKOTORMQOB-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085269
O=c1nc(C)c(c([nH]1)C)CCC(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99994760	359.423	RHZYLKOTORMQOB-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085270
O=c1nc(NC2CCCCC2)[nH]c(=O)c2c1n(cn2)C[C@H]1CCCCO1	CoCoCo_1232049	359.423	LRHVQGUGDBLHNY-CYBMUJFWSA-N	00000000100010000111000000000010000000000000000000000000	31-01-085271
O=c1nc(NC2CCCCC2)[nH]c(=O)c2c1n(cn2)C[C@@H]1CCCCO1	CoCoCo_1232050	359.423	LRHVQGUGDBLHNY-ZDUSSCGKSA-N	00000000100010000111000000000010000000000000000000000000	31-01-085272
O=C(c1ccco1)N1CCCn2nnc(COCCN3CCCC3)c2C1	PC-id_97519084,ZINC22_96258994,EMOLS-id_44369536	359.423	HNSVKBSXMRWBHU-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-085273
O=C(c1coc(n1)C1CCOCC1)NCCc1nnc2n1CCCCC2	EMOLS-id_100045791	359.423	DYTBOILFEIRHEB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085274
O=C(c1noc2c1CCCCC2)Nc1ccn(n1)CCN1CCOCC1	EMOLS-id_100124517	359.423	FCKHLOPGTXQVMI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085275
O=C(CCN1C(=O)C(=C(C1=O)C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_278506157	359.423	SSSUJTNQIWJBFR-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-085276
O=C(COCc1nnn2c1CN(Cc1ccco1)CCC2)N1CCCC1	PC-id_97519097,ZINC22_96259007,EMOLS-id_44369562	359.423	WZWLPCKAFWWAFT-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-085277
O=C(COCc1nnn2c1CN(Cc1ccoc1)CCC2)N1CCCC1	PC-id_97519096,ZINC22_96259006,EMOLS-id_44369560	359.423	PYFRGLRJBNHDKT-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-085278
O=C(N1CCCn2c(C1)cc(c2)C(=O)NO)c1n(nc(C(C)(C)C)c1)C	SCHEMBL12210566,PC-id_58465856	359.423	ACXCXHJCIBNXKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085279
O=C(NCc1n2CCCCCc2nn1)c1[nH]c(c(c1C)C(=O)OC)CC	PC-id_51266322	359.423	YEXNZMCRUDSYPI-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-085280
O=C(NCCc1n2CCCCCc2nn1)c1c(OCCOC)nccc1	PC-id_60566970	359.423	GMJUKLLPMPVVRU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085281
O=C(NCCc1n2CCCCCc2nn1)NCc1cc(OC)c(O)cc1	PC-id_52215970	359.423	AISWEZXPMHMEGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085282
s1c2CCCCCCc2cc1C(=O)NN=C([O-])c1nn(c(=O)cc1)C	PC-id_51530351	359.423	WTGKQBADDUASIK-UHFFFAOYSA-M	00000000100000100101000000000010000000000000000000000000	31-01-085283
c1cncc(Cc2nnc3n2CCN(Cc2cc4ccccc4o2)CC3)c1	MCULE-9104205697,ZINC22_72167562,EMOLS-id_43169028,PC-id_56913214	359.424	MBTUZVUXQTUJAU-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-085284
N#Cc1ccc(OC[C@@H]2CN(Cc3ccccc3)Cc3cncn3C2)nc1	ZINC22_96209811,PC-id_97477938	359.424	MHQHUODZLVTKJI-LJQANCHMSA-N	00000000100000111101000000000010000000000000000000000000	31-01-085285
N#Cc1ccc(OC[C@H]2CN(Cc3ccccc3)Cc3cncn3C2)nc1	ZINC22_96209812,PC-id_97477939	359.424	MHQHUODZLVTKJI-IBGZPJMESA-N	00000000100000111101000000000010000000000000000000000000	31-01-085286
c12CN(CCCn1nc(CNC(=O)Cn1c(C)ccn1)c2)C(=O)N(C)C	EMOLS-id_46097753,PC-id_72937742,ZINC22_92066079,MCULE-3439040442	359.426	GKXFUIDLHAAKNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085287
c12nnnn1CCCCC2C(=O)N1CCC(CC1)c1onc(C(C)C)n1	EMOLS-id_316235849,MCULE-2052717722	359.426	OCKFWRWPLCUYBD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085288
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1n[nH]c(c1)c1cccs1	PC-id_90625273	359.426	FFFKOMHGQMIQAG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-085289
c1(cn(nn1)CCC1CCCCN1)C(=O)N1CCc2c(c(=O)[nH][nH]2)CC1	EMOLS-id_43605299,MCULE-7395724828,PC-id_70786975	359.426	QAEXGNIYMOCZIC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085290
Cc1cc(NC(=O)NCc2nnc3n2CCOCC3)nn1[C@H](C)C1CC1	ZINC22_1615592417	359.426	TYZTYJFNVSYOFC-GFCCVEGCSA-N	00100000100000000101000000000010000000000000000000000000	31-01-085291
Cc1cc(NC(=O)NCc2nnc3n2CCOCC3)nn1[C@@H](C)C1CC1	ZINC22_1615592420	359.426	TYZTYJFNVSYOFC-LBPRGKRZSA-N	00100000100000000101000000000010000000000000000000000000	31-01-085292
Cc1noc(n1)C1CCCN1C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_98817572	359.426	INZMCHGYFYFTMZ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085293
Cc1noc(n1)C1CCCN(C1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_110330752	359.426	KROREYUATWFEAY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085294
Cc1noc(n1)C1CCN(CC1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_97980953	359.426	VXMHNSQMHBABOP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085295
CC(C)c1noc(C2CCN(C(=O)[C@@H]3CCCCn4nnnc34)CC2)n1	ZINC22_1506419313	359.426	OCKFWRWPLCUYBD-CYBMUJFWSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085296
CC(C)c1noc(C2CCN(C(=O)[C@H]3CCCCn4nnnc34)CC2)n1	ZINC22_1506419316	359.426	OCKFWRWPLCUYBD-ZDUSSCGKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085297
CC(=O)NCc1nnc2CCN(CCn12)C(=O)CCc1c(C)n[nH]c1C	MCULE-4925684411,PC-id_56701118,ZINC22_67433365,EMOLS-id_36421230	359.426	STCHMBRNNUIBRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085298
CNc1ncc(cn1)C(=O)N1CCCn2nc(cc2C1)C(O)CN(C)C	PC-id_91791795,MCULE-2026810861,EMOLS-id_55694117	359.426	NNKQKGNVAFHLBD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085299
CNc1ncc(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)cn1	PC-id_100227449,ZINC22_223305190	359.426	NNKQKGNVAFHLBD-HNNXBMFYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085300
CNc1ncc(C(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)cn1	ZINC22_223305242,PC-id_100227457	359.426	NNKQKGNVAFHLBD-OAHLLOKOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085301
CN(Cc1nnc2n1CCOCC2)C(=O)Nc1cnc(C(C)(C)C)nc1	EMOLS-id_320331201,MCULE-2871085788,ZINC22_1615554987	359.426	ZRYAHLBRKJVIQY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085302
COC1(CC(=O)N2CCCn3nnc(Cn4nncc4C)c3C2)CCC1	ZINC22_1565554154,EMOLS-id_313731545	359.426	LAIPHJHRCGXTEC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-085303
O=C1NCC(Cc2c1cn(n2)Cc1nnnn1CC1CCOCC1)(C)C	EMOLS-id_316377851,MCULE-9406579132	359.426	NTXBELGMNDWTCY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085304
O=C(c1cccn1CCN1CCOCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_258112620,MCULE-4655719280	359.426	XRJVNUCFZCSGTO-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-085305
O=C(c1cn(CC[C@H]2CCCCN2)nn1)N1CCc2[nH]nc(O)c2CC1	PC-id_96408900,ZINC22_77555116	359.426	QAEXGNIYMOCZIC-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085306
O=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1CCc2[nH]nc(O)c2CC1	ZINC22_77555114,PC-id_96408899	359.426	QAEXGNIYMOCZIC-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085307
O=C(c1cnc[nH]1)N1CCCn2c(C1)c(COCCN1CCCC1)nn2	PC-id_97405214	359.426	GJRIWFNFCNGJQX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085308
O=C(C1N=CN(N1)CC1CCC1)NC1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL19655662	359.426	PDAWOLPOJSRJHC-UHFFFAOYSA-N	00001011100000000101000000000010000000000000000000000000	31-01-085309
O=C([C@@H](n1cncc1)C)NCc1nn2c(c1)CN(CCC2)C(=O)N(C)C	PC-id_96577033	359.426	RYMBKFIBKWIINT-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085310
O=C([C@H](n1cncc1)C)NCc1nn2c(c1)CN(CCC2)C(=O)N(C)C	PC-id_96577034	359.426	RYMBKFIBKWIINT-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085311
O=C(N1CCCn2nc(cc2C1)CNC(=O)C(n1ccnc1)C)N(C)C	PC-id_70750075	359.426	RYMBKFIBKWIINT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085312
O=C(Nc1nn(c(c1)C)C(C1CC1)C)NCc1nnc2n1CCOCC2	EMOLS-id_320321472,MCULE-8457529866	359.426	TYZTYJFNVSYOFC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-085313
c12CN(CCCn1nc(C#N)c2)Cc1cnc(nc1)NCc1ccccc1	ZINC22_826805683,EMOLS-id_232870266,MCULE-1884667988	359.428	PGHMPQLYQYUKER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085314
FC(CC1COCCN1C(=O)Nc1sc2c(n1)CCCCCC2)F	EMOLS-id_98978548	359.435	GKOIBIXSJREURF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085315
FC(CN1CCOCC1C(=O)Nc1sc2c(n1)CCCCCC2)F	EMOLS-id_100157391	359.435	APYLUWPQYDGBQP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085316
O=C(N1CCC(CC1)(O)C(F)F)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098640	359.435	HDWSYOYYVWXOGL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085317
c1(C(O)C2CC2)cc2n(CCCN(CCCOc3ccc(cc3)F)C2)n1	EMOLS-id_55612163,PC-id_91763339,MCULE-8102797069	359.438	ZDCJSUDSIMIWOP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-085318
COCCNC(=O)CC1CN(Cc2ccccc2F)Cc2cccn2C1	EMOLS-id_313814306	359.438	RIKLPRRULMRBGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085319
COCCNC(=O)C[C@H]1CN(Cc2ccccc2F)Cc2cccn2C1	ZINC22_585099175	359.438	RIKLPRRULMRBGI-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085320
COCCNC(=O)C[C@@H]1CN(Cc2ccccc2F)Cc2cccn2C1	ZINC22_585099176	359.438	RIKLPRRULMRBGI-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085321
Fc1ccc(cc1)OCCCN1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O	PC-id_100017896	359.438	ZDCJSUDSIMIWOP-HXUWFJFHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-085322
Fc1ccc(cc1)OCCCN1CCCn2c(C1)cc(n2)[C@H](C1CC1)O	PC-id_100017900	359.438	ZDCJSUDSIMIWOP-FQEVSTJZSA-N	00100000100000110101000000000010000000000000000000000000	31-01-085323
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)OC	PC-id_2179603,CoCoCo_901473,TIMTEC254119,MCULE-4649429852,ZINC22_2819534,EMOLS-id_1094680,SPECS-id_AK-968/12116067	359.439	JZEBXBXEAHPRFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085324
c1(NC(=O)c2ccccc2OC)sc2c(CCCCC2)c1C(=O)OC	TIMTEC597172,EMOLS-id_4037247,ZINC22_995294,CoCoCo_5815579,PC-id_1220295,MCULE-6926438122	359.439	ZLVLGRXPSHRFBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085325
c1(NC(=O)c2cccc(OC)c2)sc2c(CCCCC2)c1C(=O)OC	PC-id_1010483,SPECS-id_AK-968/12972015,EMOLS-id_2441305,ZINC22_670844,TIMTEC161308,MCULE-2030614014,CoCoCo_898225	359.439	FZOZFOGQAXIRBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085326
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)O	EMOLS-id_179129645,MCULE-5144450869,PC-id_28860416	359.439	ULLKFRIEOACKBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085327
c1(NC(=O)C=Cc2ccc(C)o2)sc2c(CCCCC2)c1C(=O)OC	PC-id_1220030,MCULE-1284119268	359.439	DJQFXFVNFWZDSK-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-085328
c1(NC(=O)CCOc2ccccc2)sc2c(CCCCC2)c1C(=O)O	MCULE-9821451116,EMOLS-id_179129660,PC-id_28860428	359.439	WVXNHPZXFKXCEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085329
c1(NC(=O)COc2ccc(cc2)C)sc2c(CCCCC2)c1C(=O)O	EMOLS-id_179129693,MCULE-4691028838,PC-id_28860459	359.439	GEFPDZXKNUKKIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085330
CCOC(=O)c1cc2c(s1)CCN(CC2)C(=O)OCc1ccccc1	SCHEMBL11173780,PC-id_20481330	359.439	OBUXEVCMUBOCGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085331
CCOC(=O)c1c(NC(=O)/C=Cc2ccco2)sc2c1CCCCC2	CoCoCo_3780381	359.439	IXQMQVOTRDUHJD-KHPPLWFESA-N	00000000101000000100000000000010000000000000000000000000	31-01-085332
CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCCC2	PC-id_2383901,CoCoCo_3780380,ZINC22_3267526	359.439	IXQMQVOTRDUHJD-ZHACJKMWSA-N	00000000101000000100000000000010000000000000000000000000	31-01-085333
CCOC(=O)c1c(NC(=O)C=Cc2ccco2)sc2c1CCCCC2	PC-id_5220528,EMOLS-id_301030926,MCULE-5350187257	359.439	IXQMQVOTRDUHJD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-085334
CCOC(=O)c1sc2c(c1)CN(CCC2)C(=O)OCc1ccccc1	PC-id_20481338,SCHEMBL11175834	359.439	YUUGCUPLPUFJEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085335
CNC(=O)COc1cccc(c1)OC(=O)c1cc2c(s1)CCCCC2	MCULE-9588688427,EMOLS-id_48306184,PC-id_75438172	359.439	TUPAHUPAXIKKKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085336
COc1cc(ccc1C(=O)O)C(=O)N1CCCCc2c1sc(c2C)C	PC-id_18378652,SCHEMBL7017957	359.439	LZIMIPSFTWPDHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085337
COc1cccc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c1	ZINC22_5362163,PC-id_7650022,EMOLS-id_43703959,CoCoCo_2861419,MCULE-8250637546	359.439	YGQPERFWFTUPFF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085338
COC(=O)c1cc(OC)ccc1NC(=O)c1cc2c(s1)CCCCC2	ZINC22_58407547,PC-id_51125904,MCULE-2949761771,EMOLS-id_33361441	359.439	PICHSMBBGOHSCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085339
COC(=O)c1c(NC(=O)/C=C/c2ccc(C)o2)sc2c1CCCCC2	CoCoCo_684891,SPECS-id_AK-968/11842245,EMOLS-id_25875473,PC-id_1220031,TIMTEC123689,ZINC22_994991	359.439	DJQFXFVNFWZDSK-ZHACJKMWSA-N	00000000101000000100000000000010000000000000000000000000	31-01-085340
COC(=O)c1c(NC(=O)/C=Cc2ccc(o2)C)sc2c1CCCCC2	CoCoCo_684892	359.439	DJQFXFVNFWZDSK-KHPPLWFESA-N	00000000101000000100000000000010000000000000000000000000	31-01-085341
O=C(NCCOc1ccc2c(c1)OCO2)c1cc2c(s1)CCCCC2	ZINC22_40121775,PC-id_45900308,MCULE-8779671258,EMOLS-id_30257323	359.439	YFSVGLHGIGHOMN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085342
OC(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCCCCc12	EMOLS-id_329960427	359.439	UFHOGTSWXQTLLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085343
OC(=O)COc1ccc(c(c1)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_119231519,MCULE-2716384689,EMOLS-id_51471882	359.439	OVVNQKKSZPIOHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085344
OC(=O)COc1ccc(cc1)N(C(=O)c1cc2c(s1)CCCCC2)C	MCULE-6756762183,EMOLS-id_72625317,PC-id_121958205	359.439	GUQLJYHJTFGPPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085345
[OH+]=C1C=CC(=C(c2ccc3-c2ccccc3)c2ccc3-c2ccccc3)C=C1	PC-id_101706327	359.439	MAEVOTLQQXQHIE-UHFFFAOYSA-O	00000010100011000110000000000010000000000000000000000000	31-01-085346
s1c2CCCCCc2cc1C(=O)OCc1cc(OCC(=O)N)ccc1	PC-id_56177792	359.439	JDWUSBKHTYQDRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085347
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(OC)cc1	PC-id_7650035	359.439	WBVFNBJGMCTQHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085348
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(OC)cccc1	PC-id_7352126	359.439	ZLSPNUSTYLPTQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085349
s1c2c(CCCCC2)c(c1NC(=O)COc1ccccc1)C(=O)OC	PC-id_4444158	359.439	RAVXACZALXFHHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085350
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1occc1)C(=O)OC	PC-id_4524509	359.439	ATSGHIJQFJKAKN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-085351
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1occc1)C(=O)OC	PC-id_6140068	359.439	ATSGHIJQFJKAKN-ZHACJKMWSA-N	00000000101000000100000000000010000000000000000000000000	31-01-085352
S(=O)(=O)(N1Cc2c(C(=C(C1)C(=O)C)C)coc2C)c1ccc(cc1)C	PC-id_53359429	359.439	KDNYBRQROMDJFR-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-085353
c12CN(CCC)CCCn1nc(CNC(=O)NCc1ccc(cc1)F)c2	EMOLS-id_44447243,MCULE-8842825283,ZINC22_82145740,PC-id_70772817	359.441	SSRRIMABWDEZHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085354
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(cc1C)F	PC-id_70755748,MCULE-8348025765,EMOLS-id_44441403,ZINC22_82125851	359.441	CAFKPUYSOQWTBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085355
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(cc1F)C	PC-id_70715163,ZINC22_82096267,EMOLS-id_44427139,MCULE-6197329708	359.441	XBQOUBYUMVVJAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085356
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(c(C)c1)F	PC-id_70707891,EMOLS-id_44424541,MCULE-8125160689,ZINC22_82087329	359.441	YNBKPNKTYJLETO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085357
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cc(C)ccc1F	PC-id_70769358,ZINC22_82138549,MCULE-2887968022,EMOLS-id_44446101	359.441	LJGAJRMHWYUCQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085358
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cc(C)cc(F)c1	ZINC22_82096512,EMOLS-id_44427537,MCULE-6218911837,PC-id_70716263	359.441	ALUDJQYMSQEIEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085359
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cccc(F)c1C	PC-id_70786068,MCULE-6620439954,ZINC22_82166412,EMOLS-id_44451915	359.441	CYBHQKYTPOKHOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085360
c1(C(CC(C)C)NC(=O)c2ccc(cc2F)C)nnc2CCNCCn12	EMOLS-id_36433006,MCULE-1562504562,PC-id_56706696	359.441	LVSDHTNSSKKMPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085361
c1(C(CC(C)C)NC(=O)c2ccc(c(C)c2)F)nnc2CCNCCn12	MCULE-7641782824,EMOLS-id_36465603,PC-id_56722500	359.441	XLGVSIWRWYAVOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085362
c1(C(C(C)C)NC(=O)Cc2cc(F)ccc2C)nnc2CCNCCn12	MCULE-4968432358,EMOLS-id_36433968,PC-id_56707157	359.441	VWGYOTYEORZITF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085363
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(cc3)F)CCn12	PC-id_45213405,MCULE-7760901444,ChEMBL-DNDi_CHEMBL47223290,EMOLS-id_20586603	359.441	LHDDQZSHGPYYFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085364
CC1Cc2nnc(COc3ncccc3F)n2CCN1CC1CCCC1	EMOLS-id_313824292	359.441	DWPITIBHEINZOG-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-085365
Cc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCNCC3)c(F)c1	PC-id_95203203,ZINC22_67696571	359.441	LVSDHTNSSKKMPV-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085366
Cc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCNCC3)c(F)c1	ZINC22_67696570,PC-id_95203202	359.441	LVSDHTNSSKKMPV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085367
Cc1ccc(F)cc1CC(=O)N[C@H](c1nnc2n1CCNCC2)C(C)C	PC-id_95204807,ZINC22_67714821	359.441	VWGYOTYEORZITF-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085368
Cc1ccc(F)cc1CC(=O)N[C@@H](c1nnc2n1CCNCC2)C(C)C	ZINC22_67714820,PC-id_95204806	359.441	VWGYOTYEORZITF-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085369
Cc1cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCNCC3)ccc1F	PC-id_95229985,ZINC22_67974888	359.441	XLGVSIWRWYAVOA-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085370
Cc1cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCNCC3)ccc1F	PC-id_95229986,ZINC22_67974889	359.441	XLGVSIWRWYAVOA-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085371
CC(C)CCN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1	MCULE-8487815195,ZINC22_11995925,EMOLS-id_232723648,PC-id_42340745	359.441	RPHWFQIKLMUXQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085372
CCC(C)CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1	PC-id_45166456,EMOLS-id_232731732,MCULE-2923292454,ChEMBL-DNDi_CHEMBL32418624	359.441	ZJLNJOROXFIOEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085373
CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2	CoCoCo_1398282,ZINC22_12030358,CoCoCo_1398281,PC-id_42363465	359.441	LHDDQZSHGPYYFZ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085374
CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2	CoCoCo_1398283,ZINC22_12030354,CoCoCo_1398284,PC-id_42363459	359.441	LHDDQZSHGPYYFZ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085375
CC[C@@H](C)CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1	ZINC22_12020233	359.441	ZJLNJOROXFIOEP-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085376
CC[C@H](C)CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1	ZINC22_12020238	359.441	ZJLNJOROXFIOEP-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085377
CC(C)N(C)Cc1ncn2c1CN(C(=O)Nc1ccccc1F)CCC2	EMOLS-id_44370052,ZINC22_96259253,PC-id_97519337	359.441	JREBAAQEPHDTSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085378
CC(C)N(C)Cc1ncn2c1CN(C(=O)Nc1cccc(F)c1)CCC2	EMOLS-id_44370054,ZINC22_96259254,PC-id_97519338	359.441	HDKXDXSPHBTFFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085379
CC(C)N(C)Cc1ncn2c1CN(C(=O)Nc1ccc(F)cc1)CCC2	PC-id_97519339,EMOLS-id_44370056,ZINC22_96259255	359.441	PJJDBTDZEGGSFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085380
C[C@H]1Cc2nnc(COc3ncccc3F)n2CCN1CC1CCCC1	ZINC22_585097021	359.441	DWPITIBHEINZOG-AWEZNQCLSA-N	00000010100000101101000000000010000000000000000000000000	31-01-085381
C[C@@H]1Cc2nnc(COc3ncccc3F)n2CCN1CC1CCCC1	ZINC22_585097026	359.441	DWPITIBHEINZOG-CQSZACIVSA-N	00000010100000101101000000000010000000000000000000000000	31-01-085382
CC(=O)NC(c1ccccc1F)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_279081332	359.441	DSCJDCPUCWQRIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085383
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)CC(C)(C)C	CoCoCo_1233459,CoCoCo_1233458,ChEMBL-DNDi_CHEMBL22901122	359.441	QQWXRBTXWBMGRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085384
Fc1ccc(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)cc1	PC-id_7566080	359.441	NEVUNLAAZMQIPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085385
Fc1cc(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)ccc1	PC-id_7565926	359.441	SXMKXGYVWULUDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085386
Fc1c(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)cccc1	PC-id_7565969	359.441	VNQXIQUXIRPBSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085387
O=C(C(C)C)NCCc1nnc2n1CCN(CC2)Cc1ccc(cc1)F	ChEMBL-DNDi_CHEMBL18451471,CoCoCo_1195751,CoCoCo_1195752	359.441	UTWVIXHVOPKXSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085388
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccccc1SC	ZINC22_72429417,MCULE-3593442054,EMOLS-id_43069437,PC-id_56885075	359.443	UKPQMPLABGHABG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085389
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CSc1ccccc1	PC-id_56902496,ZINC22_72439754,MCULE-7909452374,EMOLS-id_43137346	359.443	ZPNSFJUHHLQTHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085390
c1(c2CCCCCc2sc1NC(=O)c1cnccn1)C(=O)OC(C)C	TIMTEC85588,CoCoCo_683591,EMOLS-id_2301893,MCULE-6967764485,PC-id_1220911,Chemmine_7381,ZINC22_996112	359.443	BSZANRSHQKWGGG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085391
c1(NC(=O)c2c3CCCCCc3on2)sc2c(CCCC2)c1C(=O)N	ZINC22_2465859,MCULE-9751687765,PC-id_15999322,EMOLS-id_21980279	359.443	KDOGDLJZCZRMLD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085392
c1(NC(=O)c2cnccn2)sc2c(CCCCC2)c1C(=O)OCCC	TIMTEC357068,ZINC22_2767443,EMOLS-id_2442348,CoCoCo_900248,PC-id_2168601,MCULE-3907334778	359.443	OJYMWDYTYVDFJO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085393
c1(NC(=O)c2cnccn2)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC111555,PC-id_1022860,EMOLS-id_1095708,MCULE-9717278572,CoCoCo_901835,SPECS-id_AK-968/37172003,ZINC22_688888	359.443	CWCIHZRTSQIGSO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085394
c1(NC(=O)CCC(=O)Nc2ccccc2O)sc2c(CCCCC2)n1	EMOLS-id_334959879,MCULE-1022225367	359.443	JHXSDMZSWWDUNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085395
c1(NC(=O)CCC(=O)Nc2ccc(cc2)O)sc2c(CCCCC2)n1	EMOLS-id_334979585,MCULE-3764243829	359.443	DFYSMMIHEHHYHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085396
c1(NC(=O)CCC(=O)Nc2cccc(O)c2)sc2c(CCCCC2)n1	EMOLS-id_334974466,MCULE-8912182771	359.443	GJCNTXUTKGPXDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085397
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(Cc2ccco2)C1	EMOLS-id_323362458,MCULE-2170688924	359.443	BWQDTDFRMJWQCK-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-085398
Cc1ncc(c(c1O)/C=N/NC(=O)c1cc2c(s1)CCCCC2)CO	PC-id_135731454	359.443	MYPJEZDDFMXDLT-AWQFTUOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-085399
CC(C)c1ccc(cc1)OCC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625387	359.443	ZQVHNHLSZUMYQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085400
CCCCOc1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625332	359.443	OABVAXHGZRSNQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085401
CC(n1ncc2c1ccc(c2)S(=O)(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99304454	359.443	SSRZAKOEZAJMID-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085402
CN(C)C(=O)c1nc2CCN(Cc3ccc4OCOc4c3)CCc2s1	ZINC22_96187576,PC-id_97462034,EMOLS-id_44325455	359.443	YZCMICHDWXJQLC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085403
CNC(=O)c1nc2CCN(CCc2s1)C(=O)Cc1ccc(OC)cc1	PC-id_97442490,ZINC22_96146966,EMOLS-id_44303900	359.443	OZZJTKOWVQOYJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085404
COc1ccc(cc1)C(=O)N1CCc2nc(sc2CC1)C(=O)N(C)C	PC-id_97442546,EMOLS-id_44304012,ZINC22_96147022	359.443	WMNQZSUFBYVESM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085405
COc1cccc(c1)C(=O)N1CCc2nc(sc2CC1)C(=O)N(C)C	ZINC22_96147021,EMOLS-id_44304010,PC-id_97442545	359.443	PIJLGSDGZUBBMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085406
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)C)c1	EMOLS-id_44303858,ZINC22_96146945,PC-id_97442469	359.443	FKJCUPQYJTZIPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085407
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)C)cc1	EMOLS-id_44303878,PC-id_97442479,ZINC22_96146955	359.443	ICUQYOKICBFOMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085408
COc1ncccc1C(=O)NNC(=O)c1sc2c(c1)CCCCCC2	MCULE-9797609992,EMOLS-id_44524534,PC-id_46556917	359.443	JAEYHMGCCTYTMA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-085409
COCC(=O)N1CCc2nc(C(=O)NCc3ccccc3)sc2CC1	EMOLS-id_313791289,ZINC22_1142819058	359.443	ROAJQLYQAJEMEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085410
COC(=O)c1ccc(cc1)CNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825093	359.443	NQZYDCPYCGTAPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085411
NC(=O)COc1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)cc1	PC-id_53508623,EMOLS-id_35734383,MCULE-1224273409,ZINC22_55375869	359.443	PMDGESUMEMHQEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085412
O=c1[nH]c(=O)[nH]c(c1)C1CCN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_278413140	359.443	PEZVFSVDYKWNRW-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-085413
O=C(c1ccnc(c1)OC1COCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_99439578	359.443	JYLFOZLDQSLLFH-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-085414
O=C(c1ccsc1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111825384	359.443	VHOFSVPOWZVVNY-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-085415
O=C(c1noc2c1CCCCC2)Nc1sc2c(n1)CC(CC2=O)(C)C	EMOLS-id_100942251	359.443	POLCUAHCKSWVBV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085416
O=C(NC(c1ccc2c(c1)OCO2)C)Nc1nc2c(s1)CCCCC2	PC-id_112825059	359.443	XYNIPCAZJYOTEA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085417
s1c2CCCCCc2cc1C(=O)NNC=C1C(=CN=C(C1=O)C)CO	PC-id_8159691	359.443	ZGNUXUYKOWYKDK-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-085418
s1c2CCCCCc2cc1C(=O)OCC(=O)N(CCC#N)CCC#N	PC-id_42977801	359.443	RKPCPKHNUCUNFX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-085419
s1c2c(CCCCC2)c(c1NC(=O)c1c(OCC)nccc1)C(=O)N	PC-id_55334339	359.443	VVZANTKDDSWCRH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-085420
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1cn(nc1)C)C(=O)OC	PC-id_52638613	359.443	GGMUUJJVCUNTQW-CMDGGOBGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085421
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1cn(nc1)C)C(=O)OC	PC-id_75889205	359.443	GGMUUJJVCUNTQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085422
s1c2CCCCCc2nc1NC(=O)c1nc(c(cc1)C(=O)OCC)C	PC-id_55600895	359.443	XQCZHJCUJWIZMQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085423
s1c2CCCCCc2nc1NC(=O)CNC(=O)COc1ccccc1	PC-id_24611826	359.443	FWROGEJFBBJWFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085424
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1C=CC(=NC1=O)C	PC-id_76885525	359.443	OSGKGUHXHPRYBK-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-085425
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(=O)[nH]c(cc1)C	PC-id_60494250	359.443	PKSXBFUTKHGZEQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-085426
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1[nH]cc(c1)C(=O)C	PC-id_9089394	359.443	QXCQNJPQFMKKLK-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-085427
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cn1c(=O)cccc1	PC-id_51176818	359.443	KVRHJCMVYXEGKV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-085428
c12CN(CCCn1nc(CNC(=O)c1cscn1)c2)C(=O)C1CCC1	ZINC22_82087626,PC-id_70709103,MCULE-8996495618,EMOLS-id_44424949	359.446	JVWAQAXOEVDEAN-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-085429
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc(cc1)C#N	MCULE-4658019406,PC-id_70718932,ZINC22_82097154,EMOLS-id_44428437	359.446	NQKXAJMKYOJGBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085430
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1cccc(c1)C#N	PC-id_70740608,MCULE-5505277197,EMOLS-id_44436121,ZINC22_82109579	359.446	BRCLPCYXDSCULU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085431
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccccc1C#N	PC-id_70742458,MCULE-2756304243,ZINC22_82114831,EMOLS-id_44436797	359.446	XGNANZSBCJWART-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085432
Cc1csc(c1)C(=O)N1CCCn2nnc(C(=O)NC3CCC3)c2C1	ZINC22_2055844899,EMOLS-id_313848877	359.446	OMGJKZCMPXWNOU-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-085433
Cc1nc(C(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)cs1	EMOLS-id_313771212,ZINC22_1565546322	359.446	ZFVBXYOUVYVDOR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085434
Cc1ncnc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)c1C	ZINC22_1565555358,EMOLS-id_313791540	359.446	YHLLCSIGESBVQM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085435
Cc1[nH]nc(c1)C(=O)N1CCc2c(CC1)nc(s2)C(=O)N1CCCC1	PC-id_97524732	359.446	UBFGITDDXWSAQO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085436
CC(C)CNC(=O)c1nc2CCN(CCc2s1)C(=O)c1ccncn1	EMOLS-id_44379360,ZINC22_96264763,PC-id_97524696	359.446	QJDLRRZNBLWHFE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085437
CC[C@H](c1nn2CCCN(Cc2c1)Cc1nc2c(c(=O)[nH]1)scc2)O	PC-id_136890761	359.446	SPWVWWUPUZGRQJ-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085438
CC[C@@H](c1nn2CCCN(Cc2c1)Cc1nc2c(c(=O)[nH]1)scc2)O	PC-id_136890762	359.446	SPWVWWUPUZGRQJ-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085439
CCC(O)c1cc2CN(Cc3nc4ccsc4c(=O)[nH]3)CCCn2n1	EMOLS-id_55626126,MCULE-9445851636,PC-id_136662208	359.446	SPWVWWUPUZGRQJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085440
CC(NC(=O)N1CCc2c(CC1)nc(s2)C(=O)Nc1cccnc1)C	PC-id_97524673	359.446	HORKZHNBWYXDDJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085441
CC(NC(=O)N1CCc2c(CC1)nc(s2)C(=O)Nc1ccncc1)C	PC-id_97442438	359.446	PHDLWZFVMPAHNX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085442
CS(=O)(=O)Cc1nc2ccccc2n1Cc1nnc2n1CCCCC2	EMOLS-id_100801649,MCULE-6315410795,ZINC22_330352018	359.446	MYTMVMWMSDZZFD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085443
N#CCCN(Cc1ccco1)C(=O)CSc1nnc2n1CCCCC2	CoCoCo_4054303,EMOLS-id_11864938,ZINC22_7280622,MCULE-3577316795,PC-id_8379258	359.446	HHCOJGRUWYXIRR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-085444
O=C(c1cc[nH]n1)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1	EMOLS-id_313793845,ZINC22_1565552840	359.446	AMELJHQZPFQYGD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085445
O=C(CSc1nnc2n1CCCCC2)NNC(=O)c1cccc(c1)C	CoCoCo_4673987,MCULE-6307131622,PC-id_17532818,EMOLS-id_16773794	359.446	FYBSZMXQRCIJBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085446
O=C(Nc1cccnc1)CNC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101074615	359.446	QVBOILMSJIRFFJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085447
s1c(C(=O)N2CCn3c(nnc3CC2)CNC(=O)C2CC2)c(cc1)C	PC-id_42248539	359.446	FJKXUVBDZYJOPG-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-085448
S(c1n2CCCCCc2nn1)C(c1ccccc1)C(=O)NC(=O)NC	PC-id_78559303	359.446	IGBGJJPDJJHEEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085449
S(c1n2CCCCCc2nn1)C(C)C(=O)Nc1ccc(cc1)C(=O)N	PC-id_78559263	359.446	HGUDGQMZNFRCGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085450
S(c1n2CCCCCc2nn1)C(C)C(=O)NNC(=O)c1ccccc1	PC-id_84878500	359.446	XDUIKMCSQIDKAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085451
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(cc1)C(=O)NC	PC-id_8379428	359.446	OEKKJFHFWYHRAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085452
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc(ccc1)C(=O)NC	PC-id_8379467	359.446	URKUHONWTLQWQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085453
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(NC(=O)C)cc1	PC-id_7877576	359.446	JRCRLUNJZTXYEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085454
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc(NC(=O)C)ccc1	PC-id_7876678	359.446	ZIOZURIEIGHNPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085455
S(c1n2CCCCCc2nn1)[C@H](c1ccccc1)C(=O)NC(=O)NC	PC-id_7877554	359.446	IGBGJJPDJJHEEV-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085456
S(c1n2CCCCCc2nn1)[C@@H](c1ccccc1)C(=O)NC(=O)NC	PC-id_7877556	359.446	IGBGJJPDJJHEEV-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085457
S(c1n2CCCCCc2nn1)[C@@H](C)C(=O)Nc1ccc(cc1)C(=O)N	PC-id_7877192	359.446	HGUDGQMZNFRCGU-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-085458
S(c1n2CCCCCc2nn1)[C@H](C)C(=O)Nc1ccc(cc1)C(=O)N	PC-id_7877194	359.446	HGUDGQMZNFRCGU-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085459
S(c1n2CCCCCc2nn1)[C@@H](C)C(=O)NNC(=O)c1ccccc1	PC-id_8941861	359.446	XDUIKMCSQIDKAD-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085460
S(c1n2CCCCCc2nn1)[C@H](C)C(=O)NNC(=O)c1ccccc1	PC-id_8941865	359.446	XDUIKMCSQIDKAD-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085461
c12nc(cn1nc(C)s2)CCNC(=O)c1cc2n(CCCN(C)C2)n1	MCULE-5500667273,PC-id_50971982,ZINC22_65435540,EMOLS-id_32413244	359.449	QWHYFOSTJTYNRW-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-085462
c12scnn1cc(C(C)NC(=O)CCc1cc3n(CCCNC3)n1)n2	EMOLS-id_43149288,PC-id_70761929,MCULE-2958965878	359.449	DRRKSFJDZHYKFW-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-085463
CCc1cc(=O)n2nc(N(C)Cc3nnc4n3CCCCC4)sc2n1	ZINC22_1875252337	359.449	YDVSDTIRYBYUBW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085464
C[C@@H](NC(=O)CCc1cc2n(n1)CCCNC2)c1cn2ncsc2n1	PC-id_95886476,ZINC22_72458803	359.449	DRRKSFJDZHYKFW-LLVKDONJSA-N	00000000100000000101000100000010000000000000000000000000	31-01-085465
s1c2c(CCCCC2)c(c1NC(=O)C[n+]1ccc(cc1)C)C(=O)OC	PC-id_8827109	359.463	WUSRQPKMQBXTSG-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-085487
C[C@H](NC(=O)CCc1cc2n(n1)CCCNC2)c1cn2ncsc2n1	ZINC22_72458801,PC-id_95886474	359.449	DRRKSFJDZHYKFW-NSHDSACASA-N	00000000100000000101000100000010000000000000000000000000	31-01-085466
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OC(OC(C)(C)C)CC1CCCCc2c(C1(F)F)nnn2C(C)(C)C	SCHEMBL21167147,PC-id_139320988	359.454	USNKANYWUJTZBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085468
c1(cc2c(CCCCC2)s1)C(=O)N1CC(C1)OCc1ccccc1F	MCULE-2771117129,EMOLS-id_68897645,ZINC22_299784203,PC-id_118773842	359.458	ZIXINWCJHIBLLL-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-085469
CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(c2ccccc2)cc1	ZINC22_2325825386	359.461	OFPLFAWLRSRZQV-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-085470
CCOC(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C=Nc1ccccc1	SCHEMBL6534615	359.461	XREZDKLYVRFDCL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-085471
CCOC(=O)CC(Cc1cc2-c(c1C=Nc1ccccc1)ccccc2)C	PC-id_140409410	359.461	URAISTPLIBGKFU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-085472
O(C(=O)c1c2-c(cc(C(C)C)ccc2C)c(c1)/C=N/c1ccccc1)CC	PC-id_21253519	359.461	XREZDKLYVRFDCL-MFKUBSTISA-N	00000010100000110110000000000010000000000000000000000000	31-01-085473
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Cc1ccc(CN2Cc3cncn3C[C@H](COCC3CCOCC3)C2)o1	ZINC22_96216301,PC-id_97483366	359.463	FLIDEMOSGOZYKI-GOSISDBHSA-N	00000000101010000101000000000010000000000000000000000000	31-01-085475
Cc1ccc(CN2Cc3cncn3C[C@@H](COCC3CCOCC3)C2)o1	ZINC22_96216304,PC-id_97483369	359.463	FLIDEMOSGOZYKI-SFHVURJKSA-N	00000000101010000101000000000010000000000000000000000000	31-01-085476
Cc1ccc(CN2CC(COCC3CCOCC3)Cn3cncc3C2)o1	EMOLS-id_49235149	359.463	FLIDEMOSGOZYKI-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-085477
CCNOCCONC(=O)Cc1ccc2-c(cc1)cc(c2)N(CC)CC	PC-id_141009984	359.463	VYOKRZVONVWNLO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-085478
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s1c2c(CCCCC2)c(c1NC(=O)CC1(CCCCC1)C(=O)[O-])C#N	PC-id_27157232	359.463	YVQAJSNXGZYQEF-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-085486
s1c2c(CCCCCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C#N	PC-id_78439961	359.463	QSFQDICYVNWTAA-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-085488
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s1c2c(CCCCCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C#N	PC-id_7027500	359.463	QSFQDICYVNWTAA-ZIAGYGMSSA-M	00000000100010000100000000000010000000000000000000000000	31-01-085492
c1(C(O)c2ccccc2)cc2n(CCCN(CC=Cc3ccccc3)C2)n1	MCULE-6309725734,PC-id_90650546	359.464	AHGVPGMGIARXND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085493
c1(C(=O)N(Cc2ccccc2)Cc2ccccc2)c2CCCCCc2[nH]n1	EMOLS-id_334765122,MCULE-7724410234	359.464	LKXATUCNGBTSMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085494
n12CCCN(Cc3ccccc3)Cc1ccc2C(=O)NCc1ccccc1	EMOLS-id_317416282,MCULE-7748641402	359.464	CQVBOKAVSFFPSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085495
OC(c1cc2CN(C/C=C/c3ccccc3)CCCn2n1)c1ccccc1	EMOLS-id_50537611	359.464	AHGVPGMGIARXND-YRNVUSSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085496
O[C@@H](c1ccccc1)c1cc2n(n1)CCCN(C/C=C/c1ccccc1)C2	PC-id_100059413,ZINC22_220479731	359.464	AHGVPGMGIARXND-BVRWQAIYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085497
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c1(C(=O)NC2CC2)cc2n(CCCN(C(=O)[C@@H](N)C3CCCCC3)C2)n1	MCULE-2587030102,PC-id_50976798,ZINC22_65469704,EMOLS-id_32422334	359.466	KKXZGZBVIZKSLA-KRWDZBQOSA-N	00100000100010000101000000000010000000000000000000000000	31-01-085515
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CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)o1	CoCoCo_1304094,CoCoCo_1304093,ZINC22_20784248	359.466	MCJVYBSWLICPBO-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-085520
CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)o1	CoCoCo_1304095,CoCoCo_1304096,ZINC22_20784251	359.466	MCJVYBSWLICPBO-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-085521
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CC(C)c1nnc2CCN(CCn12)C(=O)C1CN(C2CCCC2)C(=O)C1	PC-id_70724970,EMOLS-id_44709919,MCULE-7602407628	359.466	HOMOLUUSJWFUMW-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085524
CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CC2	ZINC22_91468863,PC-id_97119881	359.466	HOMOLUUSJWFUMW-CQSZACIVSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085525
CC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CC2	ZINC22_91468864,PC-id_97119882	359.466	HOMOLUUSJWFUMW-AWEZNQCLSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085526
CC(CC(c1nnc2n1CCN(CC2)Cc1ccc(o1)C)NC(=O)C)C	ChEMBL-DNDi_CHEMBL33902427,PC-id_45200170	359.466	IQTXWVGOXDPJLI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-085527
CCC(CC)CN1CCc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC1	CoCoCo_1297522,PC-id_42347411,ZINC22_12003007,CoCoCo_1297523	359.466	HWNHBIAHRNCFDU-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-085528
CCC(CC)CN1CCc2nnc([C@H](C)NC(=O)c3ccco3)n2CC1	ZINC22_12003011,CoCoCo_1297525,PC-id_42347415,CoCoCo_1297524	359.466	HWNHBIAHRNCFDU-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-085529
CCCC[C@H]1C=CCN1C(=O)c1cn2c(n1)CCN(C(=O)NCC)CC2	ZINC22_1875243395	359.466	FTKAXQWVHHSIHO-HNNXBMFYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-085530
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COc1ccc(CN2CCc3nnc(COCCN(C)C)n3CC2)cc1	EMOLS-id_46148035,CHEMBL3551346,PC-id_97381526,ZINC22_96058869	359.466	MZDHZQZEIUOGQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085545
COc1ccc(CN2CCCn3nnc(COCCN(C)C)c3C2)cc1	EMOLS-id_46147953,ZINC22_96058828,PC-id_97381485	359.466	FLRLRAPGCYVCMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085546
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CN=C1c2nn(cc2NC[C@H](N1)Cc1ccccc1)CCc1ccccc1	PC-id_135858177,SCHEMBL3466843	359.467	WCXCNFPMLHQMBT-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085569
CN=C1c2nn(cc2NCC(N1)Cc1ccccc1)CCc1ccccc1	PC-id_136376678,SCHEMBL3467910	359.467	WCXCNFPMLHQMBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085570
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c12CN(CCCn1nc(C#N)c2)C(=O)NCCN1CCN(CC1)C(C)C	EMOLS-id_177442062,ZINC22_426531568,PC-id_121504939,MCULE-3803181257	359.469	JAJJJPJBXFEGRC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085576
c12CN(CCCn1nc(CN(C)CC(C)C)c2)C(=O)CCn1cnnc1	MCULE-9895862175,EMOLS-id_43150128,PC-id_56906823,ZINC22_72462598	359.469	DIZCELYNIWQBDH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085577
c12CN(CCCn1nc(CNC(=O)CCc1n[nH]c(C)n1)c2)CC(C)C	ZINC22_82134071,MCULE-5102856609,PC-id_70760876,EMOLS-id_44443133	359.469	NYSRIIBAQQLKAO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085578
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cnn(C(C)C)c1	MCULE-7236099987,PC-id_70731627,EMOLS-id_44432953,ZINC22_82107176	359.469	AFYYNXSWMJHGSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085579
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c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1nccn1CCC	ZINC22_85479197,EMOLS-id_44431819,PC-id_70728504,MCULE-5805062900	359.469	OLQUTVWROJTKMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085581
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CCC(c1nnc2n1CCCCC2)NC(=O)c1ccnn1CCN(C)C	EMOLS-id_316675755	359.469	IBLTXURHVFVGRE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085587
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Cn1nccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCCC2	ChEMBL-DNDi_CHEMBL1608379,PC-id_1002503,ZINC22_659013,SPECS-id_AG-690/12767775,CoCoCo_6896863,MCULE-9987602649,EMOLS-id_1104658	359.469	OCJSWRIVXRQFOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085590
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1cnc(N(C)C)nc1)C2	PC-id_100065925,ZINC22_221200367	359.469	VNRPWDOWXPLKDP-QGZVFWFLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085591
CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1cnc(N(C)C)nc1)C2	ZINC22_221200315,PC-id_100065924	359.469	VNRPWDOWXPLKDP-KRWDZBQOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085592
CN(C)CC(O)c1cc2CN(Cc3cnc(nc3)N(C)C)CCCn2n1	MCULE-7932663612,PC-id_90651401,EMOLS-id_50540725	359.469	VNRPWDOWXPLKDP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085593
CN(CCn1nccc1C(=O)NCCCc1nnc2n1CCCCC2)C	EMOLS-id_316708161	359.469	GFZCMRKKZJQRAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085594
CN(C)C(=O)NCCC1CN(Cc2cc(C)nn2C)Cc2ccnn2C1	EMOLS-id_50371213	359.469	XCFFRNFWTDDHFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085595
CN=C(NCc1nnc2n1CCCCC2)NCc1c(CC)onc1CC	PC-id_109587303	359.469	NOAHJEULMVAUNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085596
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CN=C(NCc1oc(c(n1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_109429495	359.469	QNJJEOWVWJSZHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085598
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OC(Cn1cccn1)CN1CCN(CC1)Cc1nnc2n1CCCCC2	PC-id_45914046,EMOLS-id_30260735,MCULE-9108038016	359.469	UAYIVURBULOBIH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085603
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CCNC(=NCc1nnc2n1CCCCC2)NCCn1cnnc1CC	PC-id_111700625	359.472	SXQQARLXZYBMOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085608
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c1(C(=O)NCCc2ccc(cc2OC)OC)csc2CCCCCc12	PC-id_16010588,MCULE-8920422817,EMOLS-id_16062897,CoCoCo_2171621,CHEMBL1473218	359.482	PNTLWDBSRGHXNN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085611
c1(C(=O)NCCc2ccc(c(OC)c2)OC)csc2CCCCCc12	PC-id_20881835,CoCoCo_2171521,MCULE-7725048522,EMOLS-id_16062765	359.482	JEDVBDKPFQKYMM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085612
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CCCCc1cc2n(c1C(=O)c1sccc1C)CCCCC2C(=O)O	SCHEMBL11196697,PC-id_20484232	359.482	DPSOCNSNJIWDQV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-085617
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CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1ccc(s1)C)C)C	SCHEMBL11207301,PC-id_20483706	359.482	HQTWAJRSNAJWMP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-085619
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COc1ccc(CN(C)C(=O)c2cc3c(s2)CCCCC3)cc1OC	PC-id_7998029,EMOLS-id_2886612,ZINC22_6552157,MCULE-8793523749,CoCoCo_3186859	359.482	ZHJWQIQTXKYHLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085622
s1c2CCCCCc2cc1C(=O)NCc1cc(OCCOC)ccc1	PC-id_55804477	359.482	GYQRKMAEJTXWGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085623
OCCC(c1ccccc1)CNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_102558014	359.486	CYGFBGPNGQEKSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085685
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s1c2CCCCCc2cc1C(=O)NCCc1cc(OC)c(OC)cc1	PC-id_9269930	359.482	UNPVUUVRGXTLHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085625
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s1c2c(CCCCC2)c(c1NCc1c(O)cc(cc1)C)C(=O)OCC	PC-id_23935861	359.482	LOOQONLIEGKRAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085627
s1c2CCCCCCc2cc1C(=O)Nc1c(cc(OC)c(OC)c1)C	PC-id_42061093	359.482	PTJQIXIFZOOANJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085628
s1c2CCCCCCc2cc1C(=O)Nc1ccc(OCCOC)cc1	PC-id_36398318	359.482	KLVZWFHXACELFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085629
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c1(cc2c(CCCC2)s1)C(=O)N1CCCn2c(cc(n2)C(CC)O)C1	PC-id_91774486,MCULE-1100690929,EMOLS-id_55643776	359.486	LBDLARWABICMCO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085631
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Cc1noc(n1)C1CCCN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_98123682,PC-id_75835237	359.486	GMZAPIWUJHOVKM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085638
Cc1noc(n1)C1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	PC-id_52373203,EMOLS-id_98123697	359.486	QJLIQSKPGQIHAJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085639
CCc1sc2c(n1)CCCC2N(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_100109361	359.486	XQXREWUHPNCMNX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085640
CC(C)COCC1CN(Cc2cncn2C1)C(=O)/C=C/c1cccs1	EMOLS-id_49237137	359.486	LTFXFAMXTRSIRB-AATRIKPKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-085641
CC(C)COC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2cncn2C1	PC-id_97485643,ZINC22_96218620	359.486	LTFXFAMXTRSIRB-SQRWCISFSA-N	00000000100100000101000000000010000000000000000000000000	31-01-085642
CC(C)COC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2cncn2C1	ZINC22_96218618,PC-id_97485641	359.486	LTFXFAMXTRSIRB-JFDDCEBESA-N	00000000100100000101000000000010000000000000000000000000	31-01-085643
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1cc2c(s1)CCCC2)O	PC-id_99974253	359.486	LBDLARWABICMCO-MRXNPFEDSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085644
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Cn1cc([C@H](NC(=O)c2cc3c(s2)CCCCC3)[C@H]2C[C@@H](O)C2)cn1	ZINC22_244691825	359.486	JJWDMRYKUONJTL-QIIPPGSGSA-N	00001000100000000101000000000010000000000000000000000000	31-01-085659
Cn1cc(cn1)C(C1CC(C1)O)NC(=O)c1cc2c(s1)CCCCC2	PC-id_91788221	359.486	JJWDMRYKUONJTL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-085660
Cn1cc(cn1)C(NC(=O)c1cc2CCCCCc2s1)[C@@H]1C[C@H](O)C1	EMOLS-id_55683589	359.486	JJWDMRYKUONJTL-YBYUPIHWSA-N	00001000100000000101000000000010000000000000000000000000	31-01-085661
Cn1nc(cc1NC(=O)c1cc2c(s1)CCCCC2)C1CCCOC1	EMOLS-id_99890462	359.486	FDILVFGTNQGNJB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085662
CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1ccc([C@@H]2CCCO2)s1	ZINC22_91872411,PC-id_97145085	359.486	FCDFHSSNRUURCZ-INIZCTEOSA-N	00000010100100000101100000000010000000000000000000000000	31-01-085663
CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1ccc([C@H]2CCCO2)s1	ZINC22_91872414,PC-id_97145086	359.486	FCDFHSSNRUURCZ-MRXNPFEDSA-N	00000010100100000101100000000010000000000000000000000000	31-01-085664
COc1ccc(cc1)C(N(C(=O)Nc1nc2c(s1)CCCCC2)C)C	PC-id_112825113	359.486	YXPMQTQKBNVTQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085665
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(C)C)c1	ZINC22_2055793211,EMOLS-id_313793080	359.486	AFVYYIFVHVRHOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085666
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(C)C)cc1	ZINC22_2055793235,EMOLS-id_313792823	359.486	CVGGERVZSMSBLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085667
COCCN(C(=O)Nc1nc2c(s1)CCCCC2)Cc1ccccc1	PC-id_112825086	359.486	LHVSCMWRFQULLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085668
N#Cc1c(NC(=O)C2CCCN(C2)C(=O)C)sc2c1CCCCCC2	EMOLS-id_110431587	359.486	SHBAOMNLNVJOIJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-085669
N#Cc1c(NC(=O)CCN2CC3CCC(C2)O3)sc2c1CCCCC2	EMOLS-id_99827386	359.486	GUFBJWDPCUBAQG-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-085670
N#Cc1c(NC(=O)CCN2CCC(=O)C(C2)C)sc2c1CCCCC2	EMOLS-id_100715577	359.486	XYEHTFRWDSRSNG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-085671
N#Cc1c(NC(=O)CCNC(=O)C2CC2C)sc2c1CCCCCC2	PC-id_75404469,EMOLS-id_48218706,MCULE-3469007750	359.486	ULSQQOOJSDZBEA-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-085672
N#Cc1c(NC(=O)C(N2CC3CCC(C2)O3)C)sc2c1CCCCC2	EMOLS-id_99864590	359.486	QTOQDWZXLAUAQM-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-085673
N#Cc1c(NC(=O)C(N2CCC(=O)C(C2)C)C)sc2c1CCCCC2	EMOLS-id_97955323	359.486	BVCPDMBIQHEYLK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-085674
N#Cc1c(NC(=O)CN2CCOCC2C2CC2)sc2c1CCCCC2	EMOLS-id_98197546	359.486	BRAHDCPIHOEYEE-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-085675
OC1CC(C1)[C@@H](c1cnn(c1)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_100168149	359.486	JJWDMRYKUONJTL-RWKZGTHUSA-N	00001000100000000101000000000010000000000000000000000000	31-01-085676
OC1CC(C1)[C@H](c1cnn(c1)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_100168157	359.486	JJWDMRYKUONJTL-LEHRNKBSSA-N	00001000100000000101000000000010000000000000000000000000	31-01-085677
O=C(c1cc2c(s1)CCCCC2)N1CCCO[C@H](C1)Cn1cccn1	PC-id_99986898	359.486	FJWGZOJXUBVROF-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085678
O=C(c1cc2c(s1)CCCCC2)N1CCCO[C@@H](C1)Cn1cccn1	PC-id_99986902	359.486	FJWGZOJXUBVROF-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085679
O=C(c1cc2c(s1)CCCCC2)NC1CCOC(C1)c1ccnn1C	EMOLS-id_101552015	359.486	DGYCRYIXEYPSOM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085680
O=C(c1cc2c(s1)CCCCC2)NC1CCOC(C1)c1nccn1C	EMOLS-id_101504763	359.486	AAPQGCVVHXZEMN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085681
O=C(c1noc2c1CCCCC2)NCC(c1cccs1)N1CCCC1	EMOLS-id_100931982	359.486	IDVFIGVMPLJTDL-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-085682
O=C(c1sc2c(c1)CCCCCC2)Nc1cc(nn1C)C1CCCO1	EMOLS-id_101264560	359.486	GWNMCSZDFMYNJE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085683
O=C(c1sc2c(c1)CCCCCC2)Nc1cnn(c1)CC1CCCO1	PC-id_51117427,EMOLS-id_33352102,MCULE-2226516679	359.486	XPAQVMIQUTUOOB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085684
O=C(COC1CN(Cc2cccs2)Cc2cccn2C1)N1CCCC1	EMOLS-id_50013972	359.486	ULXHWMNEHONTBC-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-085686
O=C(CO[C@H]1CN(Cc2cccs2)Cc2cccn2C1)N1CCCC1	ZINC22_247749130	359.486	ULXHWMNEHONTBC-KRWDZBQOSA-N	00000010100100000101000000000010000000000000000000000000	31-01-085687
O=C(CO[C@@H]1CN(Cc2cccs2)Cc2cccn2C1)N1CCCC1	ZINC22_247749134	359.486	ULXHWMNEHONTBC-QGZVFWFLSA-N	00000010100100000101000000000010000000000000000000000000	31-01-085688
O=C(N1CCOCC1c1c(C)[nH]nc1C)c1cc2c(s1)CCCCC2	EMOLS-id_98400230	359.486	NVMLILRYHSNINE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085689
O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cc2c(s1)CCCCCC2	PC-id_52188259,ZINC22_43271166	359.486	XPAQVMIQUTUOOB-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085690
O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cc2c(s1)CCCCCC2	ZINC22_43271165,PC-id_52188258	359.486	XPAQVMIQUTUOOB-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085691
O=C(N(CCCOc1ccccc1)C)Nc1nc2c(s1)CCCCC2	PC-id_112825061	359.486	JMRZBWUMWDNDGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085692
O=C(N(CCOc1ccccc1C)C)Nc1nc2c(s1)CCCCC2	PC-id_112825136	359.486	PBMGJTJAGWXLJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085693
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)Cc1onc(c1)C	PC-id_51269661	359.486	MWRIJOPXNFYZPG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085694
s1c2c(CCCCC2)cc1C(=O)NC(c1onc(n1)C1CC1)C(C)C	PC-id_56466069	359.486	ZIRBWZCJTABZRU-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-085695
s1c2CCCCCc2cc1C(=O)NNC(=O)C1N(CCCC1)CC#C	PC-id_55914334	359.486	MUDMFERIBPBWSI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-085696
s1c2c(CCCCCC2)cc1C(=O)N1C[C@@H](CCC1)c1onc(n1)C	PC-id_52372896	359.486	GMZAPIWUJHOVKM-OAHLLOKOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085697
s1c2c(CCCCCC2)cc1C(=O)N1C[C@H](CCC1)c1onc(n1)C	PC-id_52372897	359.486	GMZAPIWUJHOVKM-HNNXBMFYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085698
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1(CCCCC1)C#N	PC-id_60583484	359.486	UROZHPKGMWABQM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-085699
S(=O)(=O)(NC(c1ccccc1)C)C=Cc1n[nH]c2C(CCCCc12)C	PC-id_78000326	359.486	MMIPSXSALDOSQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085700
[NH+]1(CCn2c(nnc2CCc2ccccc2)CC1)C/C=C/c1ccccc1	PC-id_42424050	359.487	ILBINNCPZCMFQN-KPKJPENVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-085701
[NH+]1(CCn2c(nnc2CCc2ccccc2)CC1)CC=Cc1ccccc1	PC-id_74802127	359.487	ILBINNCPZCMFQN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-085702
c12C(CCCc1sc(C)n2)NC(=O)CCc1cc2n(CCCNC2)n1	EMOLS-id_43090171,MCULE-1858901095,PC-id_70724267	359.489	JDDLNNMTZVPTAC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085703
c12CN(CCC)CCCn1nc(CNC(=O)c1cccnc1SC)c2	EMOLS-id_44439501,PC-id_70750286,ZINC22_82120978,MCULE-6393089767	359.489	ZINCMPRTMGJDRQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085704
c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)Cc1sccn1	ZINC22_82134276,MCULE-5182022081,PC-id_70761394,EMOLS-id_44443301	359.489	GTJWQIYFAASYJC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085705
C[C@@H](c1ccsc1)N1CCN(C(=O)[C@@H]2CCc3nncn3CC2)CC1	ZINC22_879496002	359.489	BBWHSLZWWHPJIL-LSDHHAIUSA-N	00000000100110000101000000000010000000000000000000000000	31-01-085726
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)Cc1csc(C)n1	MCULE-1891007921,PC-id_70729998,ZINC22_82106790,EMOLS-id_44432375	359.489	DNIBVISNXFOCOV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-085706
c1(cc2c(CCCCC2)s1)C(=O)N1CCN(CC1)CCn1cncn1	ZINC22_82148393,EMOLS-id_44448611,PC-id_70776686,MCULE-8162121092	359.489	MAFXPKMUWHWLIW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085707
c1(C(=O)NC2CCCN(Cc3cccs3)C2)nnc2CCCCCn12	MCULE-9308463413,EMOLS-id_222761831	359.489	YAVBJWZIWOSMEM-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-085708
c1(C(=O)NC(C)c2sc3c(CCCC3)n2)cc2n(CCCN(C)C2)n1	PC-id_50979133,EMOLS-id_32426716,MCULE-3341511892	359.489	HUAOGHSITLBMQR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085709
c
(=NC(=O)CCCCCNc2ncccn2)/sc2c(CCCCC2)[nH]1	EMOLS-id_49405165,EMOLS-id_44755996,ZINC22_95475807,PC-id_71704614,STOCK7S-37939,MCULE-9572379306	359.489	OLSBLJSRRPAXSQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-085710
Cc1ccsc1C(=O)N1CCCn2c(C1)c(nn2)CN1CCCCC1	PC-id_97519659	359.489	DTPONHIHWNHBEJ-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-085711
Cc1ccsc1C(=O)N1CCCn2c(CN3CCCCC3)nnc2C1	PC-id_97519763,ZINC22_96259681,EMOLS-id_44370906	359.489	ZSMLYYDAOXICGS-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-085712
Cc1cnn(c1)C1CCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99562393	359.489	WWYVQLBWTHAQDL-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085713
CC1=C([S]=C(N1)n1cccc1)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_320510015	359.489	HWKNGCVSDDCSHN-UHFFFAOYSA-N	00000011110000000101100000000010000000000000000000000000	31-01-085714
Cc1nc2c(s1)CCC[C@H]2NC(=O)CCc1cc2n(n1)CCCNC2	PC-id_95866567,ZINC22_72417875	359.489	JDDLNNMTZVPTAC-OAHLLOKOSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085715
Cc1nc2c(s1)CCC[C@@H]2NC(=O)CCc1cc2n(n1)CCCNC2	ZINC22_72417873,PC-id_95866566	359.489	JDDLNNMTZVPTAC-HNNXBMFYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085716
CCC1CCc2c(C1)sc(n2)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101851168	359.489	GPEGNVZHBPUASN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085717
CC(c1ccsc1)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	MCULE-5283886614,EMOLS-id_319918842	359.489	BBWHSLZWWHPJIL-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-085718
CCc1sc2c(n1)CCCC2N(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_278162644	359.489	TVQUCAIZLCOAOT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085719
CCCC1CCc2c(C1)sc(n2)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319887727,MCULE-1643667809	359.489	YGCRXBKRFOWCLZ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085720
C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2csc(CC3CCNCC3)n2)C1	ZINC22_1875315574	359.489	ZTSBFPDOOBVJLE-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085721
C[C@H]1Cc2n[nH]cc2CN(C(=O)c2csc(CC3CCNCC3)n2)C1	ZINC22_1875315575	359.489	ZTSBFPDOOBVJLE-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085722
C[C@H](c1ccsc1)N1CCN(C(=O)[C@H]2CCc3nncn3CC2)CC1	ZINC22_879495999	359.489	BBWHSLZWWHPJIL-CABCVRRESA-N	00000000100110000101000000000010000000000000000000000000	31-01-085723
C[C@@H](c1ccsc1)N1CCN(C(=O)[C@H]2CCc3nncn3CC2)CC1	ZINC22_879496000	359.489	BBWHSLZWWHPJIL-GJZGRUSLSA-N	00000000100110000101000000000010000000000000000000000000	31-01-085724
C[C@H](c1ccsc1)N1CCN(C(=O)[C@@H]2CCc3nncn3CC2)CC1	ZINC22_879496001	359.489	BBWHSLZWWHPJIL-HUUCEWRRSA-N	00000000100110000101000000000010000000000000000000000000	31-01-085725
C[C@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1nc2c(s1)CCCC2	ZINC22_65495471,PC-id_95142235	359.489	HUAOGHSITLBMQR-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085727
C[C@@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1nc2c(s1)CCCC2	ZINC22_65495476,PC-id_95142237	359.489	HUAOGHSITLBMQR-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-085728
Cn1ncc(c1)[C@H]1CNC[C@@H]1C(=O)Nc1sc2c(n1)CCCCCC2	PC-id_120927080	359.489	ABYRLDLBCXQZIQ-KGLIPLIRSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085729
Cn1nc(nc1NC(=O)c1cc2c(s1)CCCCC2)C1CCNCC1	PC-id_120643899	359.489	NAKZAXUVFQLHKH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085730
n12CCCNCc1cc(CCC(=O)N1CCCCC1c1sccn1)n2	MCULE-6702712945,EMOLS-id_43064962,PC-id_70710295	359.489	PFYDCXINIGMBRV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085731
n12CCCNCc1cc(CCC(=O)NCCc1sc3c(CCC3)n1)n2	MCULE-9376928090,PC-id_70754151,ZINC22_72447373,EMOLS-id_43139456	359.489	UZXXVFWTGRJDSC-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-085732
NCc1nnn(c1)C1CCCN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_102118957	359.489	YCDYORHWNPFETB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085733
O=C(C1CC1)NC(c1nnc2n1CCN(CC2)Cc1sccc1C)C	ChEMBL-DNDi_CHEMBL14345144	359.489	DTHRAHMWLVVIPL-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-085734
O=C(C1CCC1)NCCc1nnc2n1CCN(CC2)Cc1cccs1	PC-id_26345926,ChEMBL-DNDi_CHEMBL44161991,CoCoCo_1380011,CoCoCo_1380012	359.489	UBLPEIRZDXVSSP-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-085735
O=C(C1CCn2c(CC1)nnc2)NCC(c1cccs1)N1CCCC1	EMOLS-id_319647089	359.489	GIBTUXCQDIKOFM-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-085736
O=C(C1(CCNCC1)n1cccn1)Nc1sc2c(n1)CCCCCC2	MCULE-9425628224,PC-id_120927082,EMOLS-id_302957880	359.489	PKAJLBJQKHMFOV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085737
O=C(c1ccn(n1)C1CCCNC1)Nc1sc2c(n1)CCCCCC2	PC-id_120428191	359.489	MVNAULHRZLSFNQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085738
O=C(c1ccsc1)N1CCCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_110642651	359.489	KXYIEUSCXVHEAG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-085739
O=C(c1cnn(c1)C1CCCNC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_102097460,MCULE-5524208957	359.489	KEBXLWUQZKBQSH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085740
O=C(c1nnn(c1C)CC1CCCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_100964367	359.489	HSKLYBUMUWBPBN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085741
O=C(Cc1ccsc1)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_44370706,ZINC22_96259579,PC-id_97519661	359.489	NUMFMZWFWFEJDY-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-085742
O=C(CCc1cc2n(n1)CCCNC2)N1CCCC[C@H]1c1nccs1	ZINC22_72419403,PC-id_95867295	359.489	PFYDCXINIGMBRV-INIZCTEOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085743
O=C(CCc1cc2n(n1)CCCNC2)N1CCCC[C@@H]1c1nccs1	ZINC22_72419404,PC-id_95867296	359.489	PFYDCXINIGMBRV-MRXNPFEDSA-N	00000000100010000101100000000010000000000000000000000000	31-01-085744
O=C(N1CCCC1c1cccs1)NCCc1nnc2n1CCCCC2	MCULE-9002553817,EMOLS-id_313142622	359.489	VAEWBLMCLYUVSY-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-085745
O=C(N1CCCC1c1c(C)[nH]nc1C)Nc1nc2c(s1)CCCCC2	EMOLS-id_98532691	359.489	FPTSNDPUYBLBNL-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085746
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s1c2c(CCCCCC2)c(c1NC(=O)CN1CC(CC(C1)C)C)C#N	PC-id_22197999	359.529	IAWAQLHGJYMEGT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-085836
s1c2c(CCCCCC2)c(c1NC(=O)CN(C1CCCCC1)C)C#N	PC-id_22200484	359.529	AZSQCUBEUNSVNL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-085837
CCc1nc(sc1CN1CCCn2c(C1)cc(n2)CN1CCCC1)C	PC-id_56915852,EMOLS-id_43176621,MCULE-5231013237	359.532	CZHCUTANYFZZFW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085838
c12CN(CCCn1nc(CN(C)CC1(C)CCN(C)C1)c2)CC(=CC)C	MCULE-7274398449,PC-id_72075317	359.552	ZEIDXWXCYXRLSU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085839
C/C=C(C)/CN1CCCn2nc(CN(C)CC3(C)CCN(C)C3)cc2C1	EMOLS-id_44856532,PC-id_56903748	359.552	ZEIDXWXCYXRLSU-NGYBGAFCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085840
C/C=C(C)/CN1CCCn2nc(CN(C)C[C@@]3(C)CCN(C)C3)cc2C1	PC-id_98789589,ZINC22_107437398	359.552	ZEIDXWXCYXRLSU-SQDHZICKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085841
C/C=C(C)/CN1CCCn2nc(CN(C)C[C@]3(C)CCN(C)C3)cc2C1	ZINC22_72149664,PC-id_95717777	359.552	ZEIDXWXCYXRLSU-POCMVBEYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085842
C[N@@H+](Cn1nc2n(c1=S)CCCCC2)Cc1ccc(cc1)C(C)(C)C	PC-id_8208327,GD-id_ZINC07077488	359.552	BZTIMOMKBMXNSJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-085843
NCc1sc2c(c1)C(=N)C(CCS2)CC(=C)NC1CC=C(C=C1)C	PC-id_141848697	359.552	JGMMONZEFXEZCW-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-085844
Brc1cnc(c(c1)Cl)Sc1nnc2n1CCCCC2	PC-id_113833507	359.672	HZBNSHGMKUQAAR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085845
Clc1cnc(c(c1)Br)Sc1nnc2n1CCCCC2	PC-id_114837911	359.672	OMGOFWZHSYRLCJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085846
Clc1cc(Cl)c(c(c1)Cl)C(=O)c1cc2c(s1)CCCCC2	PC-id_105348906	359.698	IDXNSMWRUMBKMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085847
ClC1=CC=CC(c2c1non2)S(=O)(=O)Nc1ccc(c(c1)F)F	PC-id_143161058	359.736	IGYHMMINVTZPQS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-085848
Clc1cc(cnc1N[C@@H](c1nnc2n1CCCCC2)C)C(F)(F)F	CoCoCo_4693506,PC-id_32065446	359.777	NMPPTDYPLWQQHW-SECBINFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085850
Clc1cc(cnc1N[C@H](c1nnc2n1CCCCC2)C)C(F)(F)F	CoCoCo_4693507,PC-id_32065450	359.777	NMPPTDYPLWQQHW-VIFPVBQESA-N	00000000100000101101000000000010000000000000000000000000	31-01-085851
Clc1c(NC(c2n3CCCCCc3nn2)C)ncc(c1)C(F)(F)F	PC-id_42884000	359.777	NMPPTDYPLWQQHW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085852
O=C(n1cc(c2=C(C)C(=CCC=c12)F)CC(=O)O)c1ccc(cc1)Cl	PC-id_145564182	359.779	DRYKNWDZXDIQSQ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-085853
Cc1noc(c2cc(Cl)ccc2OCc2nnc3n2CCCCC3)n1	ZINC22_418966815,MCULE-2132964076,EMOLS-id_316147256	359.81	RAYRYLMSRXVDAJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-085854
COCC1CN(Cc2cncn2C1)C(=O)c1cn2cc(Cl)ccc2n1	EMOLS-id_49234315	359.81	SZSLOQUGURDAHD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085855
COC[C@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2cncn2C1	ZINC22_96215191,PC-id_97482256	359.81	SZSLOQUGURDAHD-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085856
COC[C@@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2cncn2C1	ZINC22_96215193,PC-id_97482258	359.81	SZSLOQUGURDAHD-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085857
c12C(CCCCn1nnn2)C(=O)NCc1c2c(cccc2n(C)n1)Cl	MCULE-1850159049,EMOLS-id_68911189,PC-id_118780429	359.813	OBOWWTXSBSOLOS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085858
Clc1nn(c2c(OC)cc(Nc3nn4CCCCCc4n3)cc2)cn1	SCHEMBL13284894,PC-id_70876332	359.813	YRCAGVPDPYCAHC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-085859
Cn1nc(CNC(=O)[C@H]2CCCCn3nnnc23)c2c(Cl)cccc12	ZINC22_299787610	359.813	OBOWWTXSBSOLOS-JTQLQIEISA-N	00000000100000100101000001000010000000000000000000000000	31-01-085860
Cn1nc(CNC(=O)[C@@H]2CCCCn3nnnc23)c2c(Cl)cccc12	ZINC22_299787613	359.813	OBOWWTXSBSOLOS-SNVBAGLBSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085861
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(cc1)Cl)C	PC-id_20483672,SCHEMBL11201268	359.847	OBSSPFAYZZBVAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085862
O=C(N1CCCc2occc2C1)C1(c2ccc(Cl)cc2)CCOCC1	EMOLS-id_177230217,ZINC22_585083994,MCULE-9305352710	359.847	OLEBFPXVOTWOTO-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-085863
c12CN(CCCn1nc(CO)c2)C(=O)C1(CCC1)c1ccc(cc1)Cl	EMOLS-id_55701652,PC-id_91794342,MCULE-4590209142	359.85	DFBSNUFTSVRSLY-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-085864
c1(C(=O)N2CCN(CC2)c2ccc(cc2)Cl)c2CCCCCc2on1	EMOLS-id_16234755,MCULE-3798765950,TIMTEC119828,CHEMBL1512635,ZINC22_6901792,CoCoCo_2401375,PC-id_16023504	359.85	DFFOVHKSMZMLPL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085865
c1(C(=O)N2CCN(CC2)c2cccc(Cl)c2)c2CCCCCc2on1	MCULE-4245367535,PC-id_16023502,CoCoCo_2401372,STOCK6S-86674,EMOLS-id_16234749,TIMTEC205589,ZINC22_6901790,CHEMBL1513986	359.85	HXLORYJFVDEJET-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085866
Clc1cccc(c1)C(=O)N1CC(COCC2CC2)Cn2nccc2C1	EMOLS-id_313724378	359.85	VWGFRURZSHEJPT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-085867
ClCCCCn1c2c(/C(=N/O)/CCN(C2=O)Cc2ccccc2)cc1	PC-id_10642240	359.85	JOJBWMYGIXFMQO-HEHNFIMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085868
ClCCCCn1c2c(C(=NO)CCN(C2=O)Cc2ccccc2)cc1	SCHEMBL9037778,PC-id_85216404	359.85	JOJBWMYGIXFMQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085869
O=C(c1cccc(Cl)c1)N1Cc2ccnn2C[C@@H](COCC2CC2)C1	ZINC22_2055713293	359.85	VWGFRURZSHEJPT-HNNXBMFYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-085870
O=C(c1cccc(Cl)c1)N1Cc2ccnn2C[C@H](COCC2CC2)C1	ZINC22_2055713294	359.85	VWGFRURZSHEJPT-OAHLLOKOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-085871
O=C(NS(=O)(=O)c1sccc1Cl)c1n[nH]c2c1CCCCC2	ZINC22_408503778,EMOLS-id_112089461,MCULE-8798925321	359.852	VQTALQABQBABTL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-085872
c1(CN2CCCn3c(cc(n3)C(C)O)C2)c2c(cccc2n(C)n1)Cl	EMOLS-id_50538681,MCULE-5967487587,PC-id_90650831	359.853	RGTBPWMMVVBUJH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085873
CC1CC(C1)(C(=O)NC1CCn2c(CC1)nnn2)c1cccc(c1)Cl	EMOLS-id_102176405	359.853	QPHHAYCVYRNWNM-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-085874
C[C@@H](O)c1cc2n(n1)CCCN(Cc1nn(C)c3cccc(Cl)c13)C2	PC-id_100063407,ZINC22_220692900	359.853	RGTBPWMMVVBUJH-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085875
C[C@H](O)c1cc2n(n1)CCCN(Cc1nn(C)c3cccc(Cl)c13)C2	PC-id_100063409,ZINC22_220692963	359.853	RGTBPWMMVVBUJH-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085876
CC(=O)NCc1nnc2CCN(C/C(=C/c3ccccc3)/Cl)CCn12	EMOLS-id_232761550,ZINC22_19792541	359.853	AKHMDSBXLMYUQU-WJDWOHSUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085877
Clc1cccc(c1)C1(CCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164545	359.853	SXBNKYGYJKWBMG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-085878
Clc1ccc(cc1)C1(CCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168130	359.853	KQIGBTZYHZLZRX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-085879
Clc1ccc(cc1)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	MCULE-1131199603,EMOLS-id_319913790	359.853	UDURTNQSHQJLJH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085880
Clc1cccc(c1)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	MCULE-7135771655,EMOLS-id_319980842	359.853	WXJXRYARZYOZAT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085881
Clc1ccc(cc1NCc1nnc2n1CCCCC2)N1CCCC1=O	EMOLS-id_318054814	359.853	MLVANQBJNHWCKB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-085882
Clc1cccc(n1)C(=O)N1CC(CN2CCCC2)Cn2ccnc2C1	EMOLS-id_313723869	359.853	CAOBTAKIUCAJDC-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-085883
n12CCN(CCc1nnc2CNC(=O)C)CC(=Cc1ccccc1)Cl	MCULE-2081617957,PC-id_28358475	359.853	AKHMDSBXLMYUQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085884
O=C(c1cccc(Cl)n1)N1Cc2nccn2C[C@H](CN2CCCC2)C1	ZINC22_1565552900	359.853	CAOBTAKIUCAJDC-AWEZNQCLSA-N	00000010100000101101000000000010000000000000000000000000	31-01-085885
O=C(c1cccc(Cl)n1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_1614932434	359.853	CAOBTAKIUCAJDC-CQSZACIVSA-N	00000010100000101101000000000010000000000000000000000000	31-01-085886
O=C(C1CCn2c(CC1)nnc2)N1CCN(CC1)c1ccccc1Cl	EMOLS-id_319555055	359.853	XRWYFUGYTAJEIM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085887
c1(c2ccc(cc2n(C)c1)Cl)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-3879450063	359.873	JHUHUVOLEKAHIY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-085888
c1(cc2c(cc(cc2)Cl)n1C)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323235726,MCULE-4125840378	359.873	ICEPHYUDNXQFCH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-085889
c1(C(=O)Nc2sc3c(CCCCC3)n2)cc2c(cccc2Cl)n1C	MCULE-5632596079,EMOLS-id_323264663	359.873	WRMVLQILZLSHTG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-085890
c1(NC(=O)Cn2ccc3c(cccc23)Cl)sc2c(CCCCC2)n1	MCULE-4835292489,EMOLS-id_323300439	359.873	UCCNUBHFCXWAGP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-085891
c1(NC(=O)Cn2ccc3ccc(Cl)cc23)sc2c(CCCCC2)n1	MCULE-1276130628,EMOLS-id_323292767	359.873	VHZFRVMQBWMEHC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-085892
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCCCCC2)c1C#N	PC-id_3834081,CoCoCo_6708757,MCULE-5499256592,EMOLS-id_2756441,ZINC22_4144792,TIMTEC191665	359.873	HHSUQTAUQFKDLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085893
Clc1ccc(NC(=O)Nc2sc3CCCCCCc3c2C#N)cc1	PC-id_4168996	359.873	RLEFBTBNUAXLPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085894
Brc1c2-c(cc(c(c(c2)CO)C)CO)c(Br)c1	PC-id_85758093	360.041	BTJRKNHUPIJGFK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-085895
CC1CCC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682218	360.106	YABOYGFVOORUOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085896
CC(C)(C)SCC1(COC2=CSC=C2OC1)CSC(C)(C)C	PC-id_164734470	360.125	MOPHVAAUUHNTID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085897
CCOC(=O)C1=C2C=CC(=CC(=C2C(=C1N)C(=O)OCC)CC(=O)N)O	PC-id_153739667	360.132	JQKCHMABPGXTQJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-085898
CN(CC1=NN=C2N1CCOCC2)C(=O)C3=CC4=C(C=C3OC)OCO4	MCULE-9478215720,ZINC22_1615551561,EMOLS-id_320332996,PC-id_164639631	360.143	XRUGPLPXBHYSBD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085899
CC1=C(C2=CC=C(C=CC2=C1CCC(=O)O)C(C)C)C(=O)C3=CC=CC=C3	PC-id_153789384	360.173	XHCIQRDZGCPSEC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-085900
C1CN(CCN2C1=NC(=N2)CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCC5	PC-id_164696534,MCULE-8771433563	360.195	PAVCCOQPZZYSAL-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-085901
C1CN(CCC1OCC2=CC=CC=C2F)CC3=NN=C4N3CCOCC4	PC-id_154795544	360.196	KMCVZEVCYWVIJD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-085902
CC(C)(C)OC(=O)N1CC(Cn2c(Br)cnc2C1)C(=O)O	EMOLS-id_317470058,MCULE-6488417585	360.204	JUJVWDYCYRMDDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085903
CC(C)(C)OC(=O)N1CCCn2c(Br)nc(C(=O)O)c2C1	MCULE-2063140339,EMOLS-id_336522362,SCHEMBL1174637,PC-id_57635207	360.204	DQMCEWVYRPTWPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085904
N#Cc1nc(ccc1Br)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_278180993	360.209	USPZLNCOHJOBBB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085905
CC1=C(C=C(C=C1)NC(=C)C(C)(C)CN2C=CC3=C2C=CC(C=C3)(C)C)C	PC-id_153543294	360.257	ONAMBAULLMMSLV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-085906
Clc1ccc(cc1Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945886	360.259	VXFXHOUAXYEKOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085907
Clc1cccc(c1Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945937	360.259	OBWJBNHACAEIIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085908
Clc1ccc(c(c1)Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950881	360.259	UUOZHEHJUNWSTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085909
Clc1ccc(c(c1)CS(=O)(=O)c1nnc2n1CCCCC2)Cl	MCULE-3533437627,EMOLS-id_316290197	360.259	DXLTWAPGYPSHTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085910
Clc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101945892	360.259	VUMNZZWMHYVFRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085911
Clc1cccc(c1S(=O)(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101945949	360.259	BEBYSZNYBAUDMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085912
Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945958	360.259	DLHGPDUGNXHVNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085913
BrCCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	PC-id_104190337	360.267	RQFIXJZQJOZLSX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-085914
COC(=O)c1c(NC(=O)C(Br)C)sc2c1CCCCC2	PC-id_107903306	360.267	YXIVJURVYYBWGE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-085915
COC(=O)C(CNC(=O)c1cc2c(s1)CCCCC2)Br	PC-id_103492597	360.267	WHKXZGMPYWFDRK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-085916
Clc1sc(Cl)cc1C(=O)CN1c2c(scc2)CCCC1=O	PC-id_63748806	360.279	HRONWGMHFGAQDP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-085917
BrC(CN(C(=O)c1sc2CCCCCc2c1)C)COC	PC-id_80671549	360.31	SXWNAAZKNQUBHO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-085918
BrCCOCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_106307569	360.31	CXTNNAYXWJIEGY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-085919
COCC(CCNC(=O)c1cc2c(s1)CCCCC2)Br	PC-id_106245101	360.31	BHXRDAVSRGBOFJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-085920
COCC(NC(=O)c1cc2c(s1)CCCCC2)CCBr	PC-id_106156520	360.31	SKHAVFJVIXYTBH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-085921
COCCN(C(=O)c1cc2c(s1)CCCCC2)CCBr	PC-id_116053216	360.31	SSDZSGLRBCMLDO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-085922
BrCC1(CCOCC1)CSc1n2CCCCCc2nn1	PC-id_65004541	360.313	SSUMDPMDPRDLCI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085923
O=C(N1CN(C(=O)C1)CC(F)(F)F)NCc1nnc2n1CCCCC2	EMOLS-id_100503499	360.335	VOEALNQDIQUWNO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085924
c1(C(=O)OC)cc2n(CCCN(C(=O)C(=O)Nc3ccc(cc3)F)C2)n1	ZINC22_65464850,EMOLS-id_32420630,PC-id_50975901,MCULE-2412574256	360.34	IPSLVOTVCZZXRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085925
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)O)cc1	PC-id_42854011	360.34	BYBKTMIYXKBDOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085926
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccc(cn1)C(F)(F)F	EMOLS-id_101948658	360.355	DNRFETVURNLKIX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085927
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccc(nc1)C(F)(F)F	EMOLS-id_101950752	360.355	HTVOHWRFMVTEEG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085928
Fc1ccc(c(F)c1F)S(=O)(=O)NCc1cc2CNCCCn2n1	PC-id_70765101,ZINC22_82137035,EMOLS-id_44444591,MCULE-9604078400	360.355	UKJQJJKMFIJTIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085929
O=C(N1CCCc2c(C1)cco2)C1CC(=O)N(C1)c1c(F)cccc1F	EMOLS-id_99343552	360.355	APMBNCUPNYNSJU-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-085930
CNC(=O)C1=CN(CC(c2c1cn[nH]2)(C)C)C(=O)c1ccc(c(c1)F)F	PC-id_121358778,SCHEMBL17777846	360.358	QZLRTQZDCICVHS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-085931
CNC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777883,PC-id_121358815	360.358	DSXPHPRZDKXISG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-085932
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)C2(F)CC2)c1	EMOLS-id_313764045,ZINC22_1565551149	360.358	KDOCPKQYXMGLHW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-085933
FC(F)Oc1c(/C=C(c2n3CCCCCc3nn2)/C#N)cccc1OC	PC-id_51167041	360.358	ZWRGTYMEJQDEFU-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085934
FC(F)Oc1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1OC	PC-id_7481098	360.358	ZWRGTYMEJQDEFU-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085935
FC(F)Oc1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1OC	PC-id_75619605	360.358	ZWRGTYMEJQDEFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085936
FC(F)Oc1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1OC	EMOLS-id_26093003,PC-id_72084718,MCULE-5212855164	360.358	HVHXRFYVSCSOIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085937
FC(F)Oc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1OC	PC-id_8275468,CoCoCo_3456488	360.358	HVHXRFYVSCSOIV-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085938
FC(F)Oc1c(OC)cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1	PC-id_51167037	360.358	LCXOMMGSIKUVPX-LCYFTJDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-085939
FC(F)Oc1c(OC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_75619602	360.358	LCXOMMGSIKUVPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085940
FC(F)Oc1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_7911811	360.358	LCXOMMGSIKUVPX-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085941
N#C/C(=C/c1ccc(c(c1)OC(F)F)OC)/c1nnc2n1CCCCC2	CoCoCo_3456489	360.358	HVHXRFYVSCSOIV-LCYFTJDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-085942
NC(=O)C1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777884,PC-id_121358816	360.358	UCECJSHKIWUYSZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-085943
NC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777862,PC-id_121358794	360.358	PXYAGOOJCQXZQE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-085944
O=C(N1CCCc2c(C1)cnn2C)Nc1nnc(s1)CC(F)(F)F	EMOLS-id_101943561	360.358	LETGYQDROSNSKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085945
o1c(C(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)cc2c1ccc(OC)c2	PC-id_11121944	360.359	VAFJGMLHVCIRIF-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-085946
o1c(C(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)cc2c1cc(OC)cc2	PC-id_11142917	360.359	KFDRQFDLVVZCCA-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-085947
o1c(C(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)cc2c1c(OC)ccc2	PC-id_11057497	360.359	SWBOTQAUVBULDX-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-085948
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NO	SCHEMBL8158963,PC-id_9863689	360.361	JVMOJQGGBPFPOO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-085949
COc1cc(cc(c1OC)NC(=O)c1noc2c1CCCCC2)C(=O)O	MCULE-9643942526,EMOLS-id_57601445,PC-id_120521338	360.361	XHPFEUDBKYDKHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085950
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)nc([nH]2)C(F)F	EMOLS-id_101970972	360.361	CPCCQOIASAXMLH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-085951
CC1(Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)O)[N+](=O)[O-])C	PC-id_89580592,SCHEMBL14966362	360.364	QCWUVGJHTXGOAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085952
c1(C(=O)OC)cc2n(CCCN(C2)C(=O)c2ccc(nc2OC)OC)n1	PC-id_50973003,EMOLS-id_32415164,ZINC22_65454193,MCULE-4071280275	360.365	HKFRGLRTDYKNMR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085953
Clc1sc(Cl)cc1C(NCC)c1sc2c(CCCCC2)c1	PC-id_43493025	360.365	DTOZWUKEGCMYJV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-085954
N#Cc1ccc(cc1)C(=O)N1C=C(C(=O)O)c2c(C(C1)(C)C)cc([nH]2)C#N	SCHEMBL4228581,PC-id_68965440	360.366	ZXYOMODMLZMGGW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-085955
c12C(=O)NCC(O)Cn1nc(C(=O)NCc1noc(C3CCCC3)n1)c2	PC-id_119073009,MCULE-8364866657,EMOLS-id_82738535	360.368	AMFVLTVXIGUTCT-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085956
O=C(NCc1noc(C2CCCC2)n1)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426673955	360.368	AMFVLTVXIGUTCT-JTQLQIEISA-N	00000010100000000101100000000010000000000000000000000000	31-01-085957
O=C(NCc1noc(C2CCCC2)n1)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426673956	360.368	AMFVLTVXIGUTCT-SNVBAGLBSA-N	00000010100000000101100000000010000000000000000000000000	31-01-085958
PCc1cc2-c(c1)ccc(Cc1ccc3-c(cc(c3)CP)cc1)cc2	PC-id_21063095	360.368	OJIGKETZTWWRSE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-085959
PCc1ccc2-c(cc(Cc3cc4-c(c3)ccc(cc4)CP)c2)cc1	PC-id_21063077	360.368	IZWSXJMUCDJTNL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-085960
N#Cc1ccc(O[C@@H]2CN(C(=O)c3ccnnc3)Cc3cccn3C2)nc1	ZINC22_306133526	360.369	MNZYAPXEORKDJS-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085961
N#Cc1ccc(O[C@H]2CN(C(=O)c3ccnnc3)Cc3cccn3C2)nc1	ZINC22_306133527	360.369	MNZYAPXEORKDJS-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085962
O=C(N1CC(Cn2cccc2C1)Oc1ccc(cn1)C#N)c1ccnnc1	EMOLS-id_50011002	360.369	MNZYAPXEORKDJS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-085963
O=C(NC[C@H](OC1CCCC1)C(F)(F)F)c1cc2c(o1)CCCNC2	ZINC22_2325774729	360.371	NNRMNHLYIYRSFX-HNNXBMFYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-085964
O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1cc2c(o1)CCCNC2	ZINC22_2325774730	360.371	NNRMNHLYIYRSFX-OAHLLOKOSA-N	00000010100000000100000000000010000000000000000000000000	31-01-085965
O=C(Cn1nc2n(c1=O)CCCCC2)NC1CCC(C(F)(F)F)CC1	ZINC22_30765193	360.375	YKDRQMZIXDEVKR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085966
O=C(N1CC(C)(C)OC(C1)(C)C(F)(F)F)C1CCn2c(CC1)nnc2	EMOLS-id_319230312	360.375	AGIGGPUKNVNLPM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085967
CCN(C(=O)C1CCn2c(CC1)nnn2)C1CCN(C1)CC(F)(F)F	EMOLS-id_278974724	360.378	OJVJNOLDKOWXHO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-085968
CN(C(=O)NC1CCn2c(CC1)nnn2)[C@@H]1CC[C@@H](CC1)C(F)(F)F	EMOLS-id_102161203	360.378	XSMMZLHOKUCDNF-BRPYZKKUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085969
O=C(NC1CCn2c(CC1)nnn2)NCC1CCCC(C1)C(F)(F)F	EMOLS-id_102158590	360.378	UJTLTYLSUAOFHJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-085970
c12CN(CCCn1nc(CNC(=O)c1c(cccc1F)OC)c2)C(=O)C	MCULE-4961945735,ZINC22_82137684,PC-id_70767490,EMOLS-id_44445473	360.383	ZSKQOTOPPKVBNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085971
c12CN(CCCn1nc(CNC(=O)c1cc(F)ccc1OC)c2)C(=O)C	EMOLS-id_44425509,MCULE-2706357899,ZINC22_82091265,PC-id_70710514	360.383	CPTXHKQIAMWHJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085972
c12C(=O)NCC(O)Cn1nc(C(=O)N(CCC)Cc1ccc(cc1)F)c2	MCULE-7196664328,EMOLS-id_55625614,PC-id_91831759	360.383	XTNDDDUOGIQYJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085973
CCCN(Cc1ccc(F)cc1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244882526	360.383	XTNDDDUOGIQYJE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085974
CCCN(Cc1ccc(F)cc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244882527	360.383	XTNDDDUOGIQYJE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085975
CCOC(=O)c1cc(NC(=O)C2CCn3c(CC2)nnc3)c(cc1C)F	EMOLS-id_278167816	360.383	IYKJYNGEMSVAPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085976
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCOC)cc1	PC-id_50797909	360.383	DLJHYRIFAJAGEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085977
OC(=O)c1ccc(c(c1)F)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_120391432,EMOLS-id_72204337,MCULE-6155815615	360.383	YXIYMZMTNUABJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-085978
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C(=O)O	MCULE-8035850300,PC-id_28860509,EMOLS-id_179129751	360.384	WIMGLFOHYVTOLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-085979
Fc1ccc(cc1)C1COCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102106970	360.386	XTUFRAIBKYRZHX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085980
Fc1cccc(c1)C1OCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102159136	360.386	ZYCCRJKQVRSQGE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085981
Fc1ccc(cc1)C1OCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183324	360.386	IYCHMAQAYBKPLM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085982
O=C(N1CCOC(C1)c1ccccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102159133	360.386	LIHDQAYEPYYZHE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085983
O=C(N[C@@H]1CCc2nnnn2CC1)N1CCO[C@H](c2cccc(F)c2)C1	ZINC22_333656278	360.386	ZYCCRJKQVRSQGE-CABCVRRESA-N	00000000100010110101100000000010000000000000000000000000	31-01-085984
O=C(N[C@H]1CCc2nnnn2CC1)N1CCO[C@H](c2cccc(F)c2)C1	ZINC22_333656280	360.386	ZYCCRJKQVRSQGE-GJZGRUSLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085985
O=C(N[C@@H]1CCc2nnnn2CC1)N1CCO[C@@H](c2cccc(F)c2)C1	ZINC22_333656282	360.386	ZYCCRJKQVRSQGE-HUUCEWRRSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085986
O=C(N[C@H]1CCc2nnnn2CC1)N1CCO[C@@H](c2cccc(F)c2)C1	ZINC22_333656285	360.386	ZYCCRJKQVRSQGE-LSDHHAIUSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085987
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)NCc1cc2c(cc1)OCO2	PC-id_90625573	360.388	VMUGVSIEKQRBKS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-085988
O=C(N1CCN(CC1)c1ncccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102166963	360.389	XHSQREBQODXZPK-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-085989
s1c2c(nc1Nc1ccccc1)c(C=C1C(=O)C=CC=C1)c(=O)nnc2	PC-id_73318238	360.389	XPQBVMCNZMLNMU-UHFFFAOYSA-N	00000000100011110111000000000010000000000000000000000000	31-01-085990
O=S(=O)(C1=CCC=Cc2c1non2)N1CCN(CC1)c1cnccn1	PC-id_143161173	360.391	JRZNLTFLPWPDNN-UHFFFAOYSA-N	00000000100010100111100000000010000000000000000000000000	31-01-085991
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cn1nnnc1)C#N	PC-id_24383543	360.391	FTYBICFFKRFDJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-085992
Cn1ncc2c1CCCN(C(=O)NC[C@@H]1C[C@H]1c1c(F)cccc1F)C2	MCULE-9925258623,EMOLS-id_316201509,ZINC22_888102581	360.401	FIDGDEHPROIGKQ-GXTWGEPZSA-N	00100000100000110101100000000010000000000000000000000000	31-01-085993
Fc1ccc(c(c1)F)C1(CCCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278162978	360.401	CQHDFPMLLXXJDP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-085994
Fc1ccc(cc1F)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	PC-id_97519397,ZINC22_96259313,EMOLS-id_44370172	360.401	XVURNMVSCNFHSJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-085995
Fc1cc(F)cc(c1)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	PC-id_97519398,EMOLS-id_44370174,ZINC22_96259314	360.401	KAVVLEWIXNFVGY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-085996
O=C(C1CCn2c(CC1)nnc2)N1CCC(CC1)c1ccc(c(c1)F)F	EMOLS-id_316655708	360.401	ZBLUNGTWTIKPTO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-085997
COc1ccc(c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1	CHEMBL1796987,PC-id_46946212	360.406	NREDRUXWMYFCGM-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-085998
O=C1c2c([nH]c(Cc3ccc(cc3)c3ccc(cc3)CO)c2)C(=O)NCC1	PC-id_56970660	360.406	XPPFKTZOLUNNMT-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-085999
O=C1c2c([nH]c(Cc3ccc(cc3)c3ccc(OC)cc3)c2)C(=O)NCC1	PC-id_56970240	360.406	NRXPTNZGJAZQQG-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-086000
O=C1c2c([nH]c(Cc3ccc(cc3)c3cc(OC)ccc3)c2)C(=O)NCC1	PC-id_56970446	360.406	ZUAFVTBYKLNJPR-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-086001
O=C1c2c([nH]c(Cc3ccc(cc3)c3c(OC)cccc3)c2)C(=O)NCC1	PC-id_56970451	360.406	OENFIDMRBGTONL-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-086002
O=C(c1ccccc1)c1ccccc1NC(=O)c1noc2c1CCCCC2	MCULE-7202035036,ZINC22_1875320377,EMOLS-id_324057648,PC-id_146076662	360.406	APGCAEKTGWEQAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086003
c1(coc(CN2CCOCC2)c1)C(=O)N1CCCn2nc(CO)cc2C1	MCULE-3684445820,EMOLS-id_55613553,PC-id_91763848	360.408	UROGKYXMQMFREQ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-086004
c1(C(=O)N2CCCn3c(cc(n3)C(O)C3CC3)C2)noc(C)c1COC	PC-id_91793951,MCULE-3371353613,EMOLS-id_55700471	360.408	KVDSGZDAOYANFL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086005
CCc1oc(cc1C(=O)O)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_120822092	360.408	KNCZJUUFMIXGFR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086006
CC(c1onc(n1)C1COCCN1C(=O)c1noc2c1CCCCC2)C	EMOLS-id_100138604	360.408	ZOMZCMIZQYUTRF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-086007
CCOc1ccc(cc1OCC)C(=O)NC1CCc2n[nH]c(=O)n2CC1	MCULE-8282838900,EMOLS-id_50583254,PC-id_91922645	360.408	MGHZRRFUJQLDDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086008
CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nc3n(c2=O)CCCCC3)c1C	PC-id_16392183,MCULE-8495745692,EMOLS-id_11870814,CoCoCo_4447327,ZINC22_9954657	360.408	KNKQXEDWPPYQET-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-086009
Cn1c(=O)n2CCN(CCc2n1)C(=O)CCc1cc(c(cc1)OC)OC	PC-id_91922385	360.408	BCKGXFWVWQKEQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086010
COc1ccc(c(c1)C(CNC(=O)C1CCn2c(CC1)nnc2)O)OC	EMOLS-id_319408318	360.408	QSEOJMSFLJQPFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086011
COc1ccc(c(c1OC)OC)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319631696	360.408	SOCIIHMCWCXBKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086012
COc1cccc(CNC(=O)Cn2nc3CCCCCn3c2=O)c1OC	EMOLS-id_48461825,ZINC22_98211236,MCULE-2207428071,SPECS-id_AT-687/NB01959,PC-id_75526895	360.408	AUHYTJGPLJREQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086013
COc1ccc(CNC(=O)Cn2nc3CCCCCn3c2=O)cc1OC	ZINC22_11049625,EMOLS-id_48461787,PC-id_75526898,MCULE-8855227876,SPECS-id_AT-687/NB01966	360.408	RBBAYRBGZQSNNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086014
COc1ccc(C(=O)NCc2nnc3n2CCCCC3)c(OC)c1OC	ZINC22_170609647,PC-id_51266231,EMOLS-id_50297948,MCULE-1227154814	360.408	OTLPGVTVUOKKFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086015
COc1c(OC)cc(cc1OC)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319608636	360.408	CRDBNSYUFUMGQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086016
COCc1c(C(=O)N2CCCn3nc([C@H](O)C4CC4)cc3C2)noc1C	PC-id_100264543,ZINC22_223518215	360.408	KVDSGZDAOYANFL-QGZVFWFLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086017
COCc1c(C(=O)N2CCCn3nc([C@@H](O)C4CC4)cc3C2)noc1C	ZINC22_223518160,PC-id_100264534	360.408	KVDSGZDAOYANFL-KRWDZBQOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086018
COCCn1nc2CCN(CCn2c1=O)C(=O)Cc1cccc(OC)c1	PC-id_91910650,EMOLS-id_50585923,MCULE-8242328573	360.408	BLXUEYFPKHIBSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086019
COCCn1nc2CCN(CCn2c1=O)C(=O)COCc1ccccc1	EMOLS-id_50590003,PC-id_91910662,MCULE-2338626069	360.408	QULHDOJCYGAPMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086020
O=C1NC(=O)C(N1)(C)C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_101033524	360.408	BVTCGOCCGVVGFG-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-086021
O=C(C(=O)NC1CC1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111825276	360.408	AQFXYSFWWQNWIY-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-086022
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)CCc1c(onc1C)C	PC-id_56902949	360.408	PQWNVWKIFOLTFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086023
O=C(NCc1n2CCCCCc2nn1)c1cc(OC)c(OC)c(OC)c1	PC-id_51266225	360.408	BIADSQDZCQGZFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086024
c12CN(CCCn1nc(C#N)c2)C(=O)CC(c1ccccc1)c1ccco1	MCULE-3044451627,PC-id_50970048,EMOLS-id_32409634	360.409	XWMIHRVCZQJAQY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-086025
N#Cc1cc2n(n1)CCCN(C(=O)C[C@H](c1ccccc1)c1ccco1)C2	PC-id_95131927,ZINC22_65427917	360.409	XWMIHRVCZQJAQY-LJQANCHMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-086026
N#Cc1cc2n(n1)CCCN(C(=O)C[C@@H](c1ccccc1)c1ccco1)C2	PC-id_95131928,ZINC22_65427920	360.409	XWMIHRVCZQJAQY-IBGZPJMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-086027
O=C(Nc1ccccc1)c1cnn2c1CN(C(=O)c1ccccc1)CCC2	ZINC22_1565548141,EMOLS-id_313764046	360.409	TVHRLTROLACAFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086028
c12CN(CCCn1nc(CNC(=O)c1c(C)noc1C)c2)C(=O)N(C)C	PC-id_72914799,ZINC22_91860493,EMOLS-id_46081003,MCULE-2189739959	360.411	GGQWMMWKLMISPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086029
c12CN(CCCn1nc(CNC(=O)Cc1cc(no1)C)c2)C(=O)N(C)C	MCULE-8513654416,EMOLS-id_44439045,PC-id_70748941,ZINC22_82120664	360.411	OYEHZEFKDUTFJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086030
c12CN(CCCn1nc(CNC(=O)NCc1ccco1)c2)C(=O)N(C)C	MCULE-7423556001,EMOLS-id_44451095,PC-id_70783730,ZINC22_82161309	360.411	GMRMGNGYPFZNIY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086031
c1(C(=O)NCc2cc3n(CCCN(C3)C(=O)N(C)C)n2)c(C)oc(C)n1	EMOLS-id_44446971,ZINC22_82139174,MCULE-6200063008,PC-id_70772037	360.411	KVGXZBXWRQMVRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086032
Cc1c(n(nc1C)CCCNC(=O)c1nn2CC(CNC(=O)c2c1)O)C	PC-id_135091574	360.411	XQXUGCFOERFVDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086033
Cc1nnc2n1CCC(CC2)NC(=O)c1noc(c1)CN1CCOCC1	MCULE-7704748071,PC-id_91922575,EMOLS-id_50590213	360.411	LDEPUUIQLLAXLR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086034
Cc1noc(CC(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)n1	EMOLS-id_313780427,ZINC22_1565542066	360.411	IAXBYKNJOQYEEY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086035
CC(CN1CCCn2c(C1)cc(n2)CNC(=O)c1[nH]cnc1C(=O)O)C	MCULE-7418752102,PC-id_74233016,EMOLS-id_49644904	360.411	PYROZXBTTBBICD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086036
CC(C(=O)c1c(N)n(C)c(=O)n(c1=O)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101741818	360.411	AMOVWZXLPBYRBG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-086037
CNC(=O)c1noc(n1)CN1CCCn2c(C1)cc(n2)[C@H](C1CCC1)O	PC-id_100150710	360.411	IBLOSTUNVKXGTP-HNNXBMFYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-086038
CNC(=O)c1noc(n1)CN1CCCn2c(cc(n2)C(C2CCC2)O)C1	PC-id_91787133	360.411	IBLOSTUNVKXGTP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-086039
COc1cc(C(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)on1	EMOLS-id_313730775,ZINC22_1565544023	360.411	ARSODUGEFXIBGU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086040
o1c(c(cc1C)C(=O)NNC(=O)NCCc1n2CCCCCc2nn1)C	PC-id_52220584	360.411	QLBBGFKXWHRJHD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086041
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnn(c1)C1CCCCO1	EMOLS-id_319574669	360.411	NOEDCYBIMISTOQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-086042
O=C(NCCc1n2CCCCCc2nn1)NCCNC(=O)c1occc1	PC-id_55597448	360.411	AVMTYUQAJCHHCB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086043
c1cnc(O[C@H]2CN(Cc3cccc4[nH]ccc34)Cc3ccnn3C2)nc1	ZINC22_306138900	360.412	SKKHXRHSDXOSRX-KRWDZBQOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-086044
c1cnc(O[C@@H]2CN(Cc3cccc4[nH]ccc34)Cc3ccnn3C2)nc1	ZINC22_306138901	360.412	SKKHXRHSDXOSRX-QGZVFWFLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-086045
C(N1CC(Cn2nccc2C1)Oc1ncccn1)c1cccc2[nH]ccc12	EMOLS-id_50007192	360.412	SKKHXRHSDXOSRX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-086046
O(c1ccc(c2[nH]ncc2/C=C(c2n3CCCCCc3nn2)/C#N)cc1)C	PC-id_51296432	360.412	MJLRNZAUHIRNMY-PTNGSMBKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086047
O(c1ccc(c2[nH]ncc2C=C(c2n3CCCCCc3nn2)C#N)cc1)C	PC-id_75624234	360.412	MJLRNZAUHIRNMY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086048
c12CN(CCCn1nc(CCC(=O)NC(C)C)c2)C(=O)Cn1cnnn1	EMOLS-id_46059611,PC-id_72885511,MCULE-1995519635,ZINC22_91644041	360.414	RYSTYLXRIONAET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086049
O=C(c1nnn(c1)CCN1CCNCC1)N1CCc2c(CC1)[nH][nH]c2=O	PC-id_70770642,MCULE-5626431117,EMOLS-id_43595085	360.414	LVBXOEVNNNTGFL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086050
CN1CCCn2c(C1)c(nc2C(C(F)(F)F)C)C(=O)NCC(C)(C)C	PC-id_71017968,SCHEMBL13878522	360.418	ZUOTWVUFNIITSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086051
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCN(CC)CC	PC-id_19523850	360.418	PDOFSDUIDHWDIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086052
CCNC(=NCCCc1nnc2n1CCCCC2)NCCC(F)(F)F	PC-id_109472083	360.421	HGXNBZMIXURVTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086053
s1c2CCCCCCc2cc1C(=O)NC(c1c(F)cc(F)cc1)C#N	PC-id_56536898	360.421	XEBYVUXCORAURU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086054
COc1ccc(cc1F)CN(C(=O)C(N1CCCc2c(C1)cco2)C)C	MCULE-1561124214,EMOLS-id_177250583	360.423	ORRMMUOTNJOQLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086055
COc1ccc(CN(C)C(=O)[C@H](C)N2CCCc3occc3C2)cc1F	ZINC22_585083937	360.423	ORRMMUOTNJOQLR-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086056
COc1ccc(CN(C)C(=O)[C@@H](C)N2CCCc3occc3C2)cc1F	ZINC22_585083938	360.423	ORRMMUOTNJOQLR-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086057
c12CN(CCC)CCCn1nc(CNC(=O)COc1ccc(cc1)F)c2	PC-id_70720043,MCULE-1527365715,ZINC22_82097528,EMOLS-id_44428827	360.426	MMZFXDOLQWNWCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086058
c12CN(CCCn1nc(CCC(=O)NCCO)c2)Cc1cccc(F)c1	EMOLS-id_46094555,ZINC22_92037453,MCULE-2068611278,PC-id_72933450	360.426	NWGOBXNEMUQZOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086059
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(cc1C)F	PC-id_70766409,MCULE-9045972672,EMOLS-id_44445051,ZINC22_82137374	360.426	XYAJCKUKCUUVPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086060
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(cc1F)C	ZINC22_82137820,EMOLS-id_44445655,MCULE-1309282351,PC-id_70768000	360.426	QLIJZCBNPFJDMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086061
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(c(C)c1)F	MCULE-6019643266,EMOLS-id_44428693,PC-id_70719633,ZINC22_82097448	360.426	GYJYAGQJDQFYTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086062
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cc(C)ccc1F	MCULE-9171488921,EMOLS-id_44439511,ZINC22_82120985,PC-id_70750311	360.426	FTKZDEYDTKIFBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086063
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cc(C)cc(F)c1	EMOLS-id_44447497,PC-id_70773580,MCULE-6299431523,ZINC22_82146257	360.426	FRUUVNOWCTUHBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086064
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cccc(F)c1C	PC-id_70720516,EMOLS-id_44428981,MCULE-4201941990,ZINC22_82097632	360.426	LKWHKWWOZGTBNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086065
c1(cc(F)ccc1OCCN)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_426361060,EMOLS-id_82699539,MCULE-2734178467,PC-id_119058487	360.426	DBTUFIOZLPXVBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086066
CC(c1nn2CCCN(Cc2c1)CCC(=O)NCc1ccccc1F)O	PC-id_91773796	360.426	CFLKIZFYOJZOCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086067
CC(C)Cn1nc2CCCCC(C(=O)Nc3ccc(C)c(F)c3)n2c1=O	EMOLS-id_207869358,MCULE-5204474677	360.426	ZVGSUKUTDQGOEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086068
CC(C)OCc1ncn2c1CN(C(=O)NCc1cccc(F)c1)CCC2	ZINC22_96259938,EMOLS-id_44371412,PC-id_97520018	360.426	LJHSGMWFDULEEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086069
CC(O)c1cc2CN(CCCn2n1)C(=O)CN(C)Cc1ccccc1F	PC-id_91797184,MCULE-7149291298,EMOLS-id_55709990	360.426	NXDPHRFQIRIACX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086070
CN(Cc1ccccc1F)CC(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99998056	360.426	NXDPHRFQIRIACX-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086071
CN(Cc1ccccc1F)CC(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99998059	360.426	NXDPHRFQIRIACX-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086072
CN(C)CC(=O)N1Cc2cccn2C[C@H](CCOc2ncccc2F)C1	ZINC22_585095283	360.426	NHPGDXGGVRHLLI-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-086073
CN(C)CC(=O)N1Cc2cccn2C[C@@H](CCOc2ncccc2F)C1	ZINC22_585095284	360.426	NHPGDXGGVRHLLI-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-086074
COc1cc(F)ccc1CC(=O)N1Cc2ccnn2C[C@@H](CN(C)C)C1	ZINC22_248105300	360.426	IJUIIYKYNSPWCY-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086075
COc1cc(F)ccc1CC(=O)N1Cc2ccnn2C[C@H](CN(C)C)C1	ZINC22_248105304	360.426	IJUIIYKYNSPWCY-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086076
COc1cc(F)ccc1CC(=O)N1CC(CN(C)C)Cn2nccc2C1	EMOLS-id_50372231	360.426	IJUIIYKYNSPWCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086077
Fc1ccc(c(c1)NCc1nnc2n1CCCCC2)OCC1CCCO1	EMOLS-id_318117716	360.426	RVOGMGPOHQIPPX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-086078
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N#Cc1c(NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)O3)sc2c1CCCCC2	CoCoCo_6826487	360.427	RYXMVXQAXNBIMW-CTHBEMJXSA-N	00000010100010000100000000000110000000000000000000000000	31-01-086090
N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_6826480,PC-id_27519561,ZINC22_17074247	360.427	RYXMVXQAXNBIMW-DHMWGJHJSA-N	00000010100010000100000000000110000000000000000000000000	31-01-086091
N#Cc1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_100742443,CoCoCo_6826481,ZINC22_225747609	360.427	RYXMVXQAXNBIMW-NEBZKDRISA-N	00000010100010000100000000000110000000000000000000000000	31-01-086092
N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_51706285,ZINC22_35898109,CoCoCo_6826484	360.427	RYXMVXQAXNBIMW-OSRDXIQISA-N	00000010100010000100000000000110000000000000000000000000	31-01-086093
N#Cc1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_98299556,ZINC22_102330053	360.427	RYXMVXQAXNBIMW-VIRABCJISA-N	00000010100010000100000000000110000000000000000000000000	31-01-086094
N#Cc1c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_102330059,PC-id_98299557	360.427	RYXMVXQAXNBIMW-JURCDPSOSA-N	00000010100010000100000000000110000000000000000000000000	31-01-086095
N#Cc1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_225747583,CoCoCo_6826485,PC-id_100742437	360.427	RYXMVXQAXNBIMW-MXYBEHONSA-N	00000010100010000100000000000110000000000000000000000000	31-01-086096
N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_225747637,PC-id_100742451	360.427	RYXMVXQAXNBIMW-GBOPCIDUSA-N	00000010100010000100000000000110000000000000000000000000	31-01-086097
N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_225747665,PC-id_100742460	360.427	RYXMVXQAXNBIMW-UXOAXIEHSA-N	00000010100010000100000000000110000000000000000000000000	31-01-086098
N#Cc1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCC2	ZINC22_229998595,PC-id_100882698	360.427	RYXMVXQAXNBIMW-RJZRQDKASA-N	00000010100010000100000000000110000000000000000000000000	31-01-086099
N#Cc1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCC2	ZINC22_239203212	360.427	RYXMVXQAXNBIMW-QHSBEEBCSA-N	00000010100010000100000000000110000000000000000000000000	31-01-086100
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1ccc2c(c1)CCC2	EMOLS-id_112072177	360.427	YUXPRLDQQXSQLM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-086101
OC(=O)CSCc1cccc(c1)NC(=O)c1noc2c1CCCCC2	PC-id_120526285,MCULE-1242789331,EMOLS-id_72337136	360.427	QRHTTYRKAKTULE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086102
s1c2CCCCCc2cc1C(=O)NNC=C1C=C(OC)C(=O)C(=C1)O	PC-id_8159522	360.427	MSEUEDMRQYTYCU-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-086103
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(O)cc(OC)cc1	PC-id_31845161	360.427	ANRLVEGZRBEWGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086104
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)c1n(ccc1)C	PC-id_7351964	360.427	GMQOOKDLFSTEBY-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-086105
s1c2CCCCCCc2cc1C(=O)Nc1c(OC)ccc([N+](=O)[O-])c1	PC-id_55363413	360.427	JLTXSNUMWYMADD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086106
FC1CN(CC1)Cc1nn2c(CN(CCC2)C(=O)c2c(nn(c2)C)C)c1	PC-id_76424549	360.429	IKQFXUCHJBEMRB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086107
F[C@@H]1CN(CC1)Cc1nn2c(CN(CCC2)C(=O)c2c(nn(c2)C)C)c1	PC-id_56889070	360.429	IKQFXUCHJBEMRB-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086108
C1CCc2c(C1)c(cs2)CNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135088020	360.431	SXUSIFAZIPACCN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-086109
C1C(Cn2c(cc(n2)C(=O)NCCCSc2ccccc2)C(=O)N1)O	PC-id_135103742	360.431	SZZOGMMRXGPKNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086110
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(c(N(=O)=O)c1)N(C)C	EMOLS-id_334605691,MCULE-9842195833	360.431	SULNZVHHPYKIDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086111
Cc1ccc(cc1)SCCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135101940	360.431	UPLVALAYUNWVSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086112
Cc1cc(C(=O)N2CCc3nc(C(=O)N4CCCC4)sc3CC2)no1	PC-id_97524736,ZINC22_96264804,EMOLS-id_44379442	360.431	MANXQLGQQWWHQD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086113
CC(C(=O)Nc1ccc2c(c1)OCO2)Sc1nnc2n1CCCCC2	MCULE-5095590881,EMOLS-id_3465960,PC-id_4804152	360.431	NQLKCDVQRCPXBV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-086114
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc2c(c1)OCO2	CoCoCo_3081794,PC-id_7877041,ZINC22_6097668	360.431	NQLKCDVQRCPXBV-NSHDSACASA-N	00000010100000100101000000001010000000000000000000000000	31-01-086115
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc2c(c1)OCO2	CoCoCo_3081795,PC-id_7877043,ZINC22_6097671	360.431	NQLKCDVQRCPXBV-LLVKDONJSA-N	00000010100000100101000000001010000000000000000000000000	31-01-086116
CC(=O)Nc1cc(ccc1O)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_4311468,CoCoCo_4311467	360.431	LPWFITIXDFDHJK-XNTDXEJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086117
CC(=O)Nc1cc(ccc1O)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_4311469,CoCoCo_4311466	360.431	LPWFITIXDFDHJK-GDNBJRDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086118
CC(=O)Nc1cc(C(=O)CSc2nnc3n2CCCCC3)ccc1O	EMOLS-id_11778518,MCULE-3758821041,CoCoCo_4311465,PC-id_9450664,ZINC22_8325199	360.431	ZMFSEGHNDHOBHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086119
CN1NC(=CC=C1O)C(=O)/N=N/C(=O)c1cc2c(s1)CCCCCC2	CoCoCo_3415945,ZINC22_14016114	360.431	IQCDHKSPRMEMFD-VHEBQXMUSA-N	00000000100011000101000000000010000000000000000000000000	31-01-086120
CN1NC(=CC=C1O)C(=O)/N=NC(=O)c1sc2c(c1)CCCCCC2	CoCoCo_3415946	360.431	IQCDHKSPRMEMFD-HNENSFHCSA-N	00000000100011000101000000000010000000000000000000000000	31-01-086121
CN1NC(=CC=C1O)C(=O)N=NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_26087000,MCULE-4553509581	360.431	IQCDHKSPRMEMFD-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-086122
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1cccc(=O)n1C	ZINC22_1565555222,EMOLS-id_313790772	360.431	BIYKPFACUXCWCZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-086123
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1cccn(C)c1=O	ZINC22_1565553940,EMOLS-id_313794355	360.431	NENGUJWMGLVTDY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-086124
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1cc(on1)C1CC1	EMOLS-id_313790516,ZINC22_1565553106	360.431	KSWHNIBIZLWESH-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-086125
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)Cn1ccccc1=O	EMOLS-id_313791284,ZINC22_1565554032	360.431	PKKZFFLVTUHYSE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-086126
COc1ccc(cc1)CCNC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625554	360.431	VHBGAOMMWMQDPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086127
COc1cccc(c1)NC(=O)c1nc2c(s1)CCN(CC2)C(=O)NC	PC-id_97524655	360.431	USSMCIIVOKIZLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086128
COc1cccc(c1)NC(=O)N1CCc2c(CC1)nc(s2)C(=O)NC	PC-id_97407241	360.431	CQOHEKNFFBXJGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086129
COc1cc(C)c(C)cc1S(=O)(=O)N1CCCn2nc(cc2C1)C#N	MCULE-2155855945,EMOLS-id_316223041,ZINC22_1506418034	360.431	NILZJQPIUXOZHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086130
COc1cnccc1C(=O)N1CCc2nc(C(=O)N(C)C)sc2CC1	EMOLS-id_313791028,ZINC22_1565553887	360.431	MGMBQLDKOACZAU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-086131
COC(=O)c1ccc(NC(=O)CSc2nc3n(n2)CCCCC3)cc1	MCULE-6143294624,SPECS-id_AT-225/NB58042,ZINC22_624023,PC-id_979665,EMOLS-id_547152,SPECS-id_AF-399/15645033	360.431	JEGLUILFHCPRSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086132
COC(=O)c1ccc(NC(=O)CSc2nnc3CCCCCn23)cc1	MCULE-3952008740,CoCoCo_5792259,EMOLS-id_15730016,PC-id_7877489,ZINC22_6098284	360.431	XYHVWEXTSRBNAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086133
O=C(CSc1nnc2n1CCCCC2)NCc1ccc2c(c1)OCO2	MCULE-2170555827,CoCoCo_3082149,PC-id_7877473,ZINC22_6098262,EMOLS-id_3690115	360.431	VAIWCFKCTHRNEN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-086134
O=C(N1C2CCCCC2CC1C(=O)[O-])NCc1nnc2n1CCCCC2	MCULE-5318600846	360.431	QCQVDEFSOGERHT-UHFFFAOYSA-M	00000010100010000101000000000110000000000000000000000000	31-01-086135
O=C(Nc1nc2c(s1)CCCCC2)/C=C/c1cn(C)c(=O)n(c1=O)C	PC-id_94581538	360.431	CHNSHTZRCSOSKH-CMDGGOBGSA-N	00000000100000100101000000000010000000000000000000000000	31-01-086136
OC(=O)C1Cn2c(CN1C(=O)c1cc3c(s1)CCCCC3)nnc2C	PC-id_121936454	360.431	PSOUUZGRYWJBTN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-086137
s1c2CCCCCc2nc1NC(=O)c1c(N(C)C)ccc([N+](=O)[O-])c1	PC-id_55507426	360.431	AOKGXLBPRWGVSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086138
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1nn(c(=O)cc1)C	PC-id_17552051	360.431	WTGKQBADDUASIK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-086139
s1c2CCCCCCc2nc1NC(=O)CNc1c([N+](=O)[O-])cccc1	PC-id_56168711	360.431	YKRKCNIJICLFSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086140
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(cccc1)C(=O)OC	PC-id_7877513	360.431	ZNARHKZCJZXMLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086141
c12nnnn1CCCCC2C(=O)N1CCc2c(cc(s2)C(=O)NC)C1	MCULE-6543860706,EMOLS-id_49668730,PC-id_74244724	360.434	YJBYGDJCCAVHDG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-086142
Cc1nc(C(=O)N2CCCn3nnc(C(=O)NC4CCC4)c3C2)cs1	EMOLS-id_313850157,ZINC22_2055844920	360.434	ZTVMFEPRYBYKTE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-086143
CNC(=O)c1cc2c(s1)CCN(C(=O)[C@H]1CCCCn3nnnc13)C2	PC-id_97935292,ZINC22_97694797	360.434	YJBYGDJCCAVHDG-NSHDSACASA-N	00000000100010000101000000010010000000000000000000000000	31-01-086144
CNC(=O)c1cc2c(s1)CCN(C(=O)[C@@H]1CCCCn3nnnc13)C2	ZINC22_97694796,PC-id_97935291	360.434	YJBYGDJCCAVHDG-LLVKDONJSA-N	00000000100010000101000000010010000000000000000000000000	31-01-086145
O=C(c1cnc2n(c1=O)CCS2)NCCc1nnc2n1CCCCC2	EMOLS-id_98392874	360.434	GPPSCKGMBWKPPE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-086146
O=C(CC1CC1)NCc1cnc2CCN(CCn12)C(=O)c1csnn1	ZINC22_585110636,EMOLS-id_313780169	360.434	QIVAGUYQBMQMFY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086147
O=C(N1CCCc2c(C1)ccs2)Nc1[nH]nnc1C(=O)N1CCCC1	EMOLS-id_316701163	360.434	YTWKHAOGCVHLEI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086148
O=C(NC1CCCC1)c1ncn2c1CN(C(=O)c1csnn1)CCC2	ZINC22_1565553187,EMOLS-id_313790268	360.434	NKJOLHGWPKSQOE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086149
O=[N+]([O-])c1ccc(NC(=S)NCCc2nnc3n2CCCCC3)cc1	MCULE-9314186151,EMOLS-id_45743117,PC-id_71899846,ZINC22_10841256	360.434	YYWCCLGVZJZQCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086150
S(=O)(=O)(N1CCCn2nc(cc2C1)CNc1nc(ccc1C#N)C)C	PC-id_70715988	360.434	WVGIYKCWNTWIEA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-086151
s1c2c(CCCCC2)cc1C(=O)N1CCCN(CC1)CC(F)(F)F	PC-id_55685458	360.438	LFFMDTDOAIQYIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086152
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)CC(F)(F)F	PC-id_60493822	360.438	NVBFUBKMSVDFOZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086153
c1(C(=O)N(C)C)c2CCCCCc2sc1NC(=O)c1ccccc1F	EMOLS-id_8611435,PC-id_3454949,CoCoCo_1797022,ChEMBL-DNDi_CHEMBL4488-1485,MCULE-1986964639,ZINC22_4189081	360.446	QHWFUJPBIQOWPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086154
CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_42653822,PC-id_9150681,CHEMBL1521698,MCULE-8082393330,CoCoCo_3202960,ZINC22_8020461	360.446	VAQGYUFOQUGDHM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086155
CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc2c(s1)CCCCC2	PC-id_9426915,EMOLS-id_13508309,MCULE-4733981688,CoCoCo_3211316,ZINC22_8303494	360.446	RVWFCERXFDHYGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086156
O=C(Cc1ccccc1F)NNC(=O)c1sc2c(c1)CCCCCC2	CoCoCo_3415963,PC-id_9441669,MCULE-2349810021,EMOLS-id_20015573	360.446	GOGAXRZJTRDNNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086157
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1ccc(F)cc1	PC-id_8409379	360.446	XVSYNWXPKULQJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086158
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1c(F)cccc1	PC-id_31846142	360.446	MWXISFPKGXJSJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086159
s1c2c(CCCCC2)c(c1NC(=O)CCc1ccc(F)cc1)C(=O)N	PC-id_55381294	360.446	QZFIDINYKGTENP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086160
s1c2CCCCCCc2cc1C(=O)Nc1c(c(F)cc(c1)C(=O)N)C	PC-id_46486239	360.446	WVDVRFCARAWVEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086161
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1ccc(F)cc1	PC-id_31725306	360.446	IACLXFIPFHPRLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086162
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1cc(F)ccc1	PC-id_9441689	360.446	MSFSQVFAGUGJNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086163
COC(=O)[C@@H]1CC=CCCCCCCCCC(=O)c2ccc([nH]2)C(=O)N1	PC-id_134950829	360.447	MHYPZFFJMITRLA-KRWDZBQOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-086164
O=C1/C(=C/c2cc3-c(c2)ccccc3)/CC/C/1=Cc1cc2-c(c1)ccccc2	PC-id_102324508	360.447	ZUTKOTJINWHUES-RPCRKUJJSA-N	00000010100000000110000000000010000000000000000000000000	31-01-086165
O=C1/C(=C/c2ccc3-c2ccccc3)/CC/C/1=C/c1ccc2-c1ccccc2	PC-id_102324509	360.447	XZZLJGGHRLEBCW-QFFDILLMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-086166
O=C1/C(=C/c2ccc3-c(cc2)ccc3)/CC/C/1=Cc1ccc2-c(cc1)ccc2	PC-id_102324510	360.447	JAMGOCPEIKLHBA-RPCRKUJJSA-N	00000010100000000110000000000010000000000000000000000000	31-01-086167
Oc1ccc(C(c2c3-c(cc2)ccccc3)c2c3-c(cc2)ccccc3)cc1	PC-id_10808488	360.447	UJVUVLHEJQMCLR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086168
OC(c1cc2-c(c1)ccccc2)(c1cc2-c(c1)ccccc2)c1ccccc1	PC-id_101223561	360.447	UMKQBADQKURZHR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086169
O=C(CC1(C(=O)N2CCCc3occc3C2)CCCC1)N1CCOCC1	EMOLS-id_99400230,MCULE-8178386443,ZINC22_329764872	360.447	WHOFNOXNLVVBKP-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-086170
CNC(=O)c1cccc(c1)NC(=O)Cc1ccc2-c1cccc(c2)C(C)C	PC-id_139996495	360.449	URCWZWFMSGPSJH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086171
Fc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C(C)C)C)CC2)cc1	PC-id_42363458	360.449	LHDDQZSHGPYYFZ-AWEZNQCLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-086172
Fc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C(C)C)C)CC2)cc1	PC-id_42363464	360.449	LHDDQZSHGPYYFZ-CQSZACIVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-086173
Fc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)C(C)C)C)CC2)cc1	PC-id_74799380	360.449	LHDDQZSHGPYYFZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-086174
o1[nH]c(=O)c2CN(CCCc12)CCC=C(c1ccccc1)c1ccccc1	PC-id_10406230	360.449	BTQRMFYEEVLKMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086175
O(c1c(N2CCN(CC2)Cc2c3-c(c(c2)C=O)ccccc3)cccc1)C	PC-id_71497702	360.449	KHSWPVSNQFMPDN-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-086176
O=c1[nH]oc2c1CC(CNC2)CCC=C(c1ccccc1)c1ccccc1	PC-id_100974033	360.449	FPBHICMDLGAUCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086177
O=c1[nH]oc2c1C(NCCC2)CCC=C(c1ccccc1)c1ccccc1	PC-id_141038365	360.449	DIVVDMRCKODAQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086178
O=C(Nc1cc(ccc1)C(=O)NC)Cc1c2-c(cc1)ccc(C(C)C)cc2	PC-id_9820279	360.449	AWVROFDVAFJQAS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086179
S(C(C(=O)NC1CC1)c1ccc(F)cc1)c1n2CCCCCc2nn1	PC-id_16599518	360.449	SSVDZHAHTNAYKF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-086180
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCN1C[C@H]2C[C@@H]1CC2	PC-id_56882069,EMOLS-id_43057214,ZINC22_72422634,MCULE-2027460932	360.451	PIOCEQDTRUSWHD-ZBFHGGJFSA-N	00000010100000000101000000000110000000000000000000000000	31-01-086181
c12CN(CCCn1nc(CNC(=O)c1ccc(COC)o1)c2)CC(C)C	MCULE-8497837384,PC-id_70714902,EMOLS-id_44427067,ZINC22_82096222	360.451	UJQCRMMSUJFOHV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086182
c12CN(CCCn1nc(CNC(=O)C1CCOCC1)c2)C(=O)C1CCC1	MCULE-1210256354,ZINC22_85474743,PC-id_70719717,EMOLS-id_44428719	360.451	GKHHWYJARXLGOP-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-086183
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(CCC)o1	PC-id_72911016,MCULE-6240990374,ZINC22_91819763,EMOLS-id_46078209	360.451	GLWYYWRLDMBYIH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086184
C1CCC(=O)N(CC1)CC(=O)N1CCCn2c(cc(n2)C(C2CC2)O)C1	PC-id_91765097	360.451	JBQMQFQBAXXJAB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086185
c1(cc(oc1C)CN(CC)CC)C(=O)N1CCCn2nc(CO)cc2C1	EMOLS-id_55712124,MCULE-4184215111,PC-id_91797883	360.451	XIYOXEURDPZKDK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086186
c1(CN2CCCn3c(cc(n3)C(C)O)C2)cc(oc1C(C)(C)C)C(=O)N	PC-id_91764703,MCULE-1250389091,EMOLS-id_55615921	360.451	ZJWPNXXMNJYVSB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086187
c1(nnc2CCCCCn12)C(=O)N1[C@@H]2CC[C@H]1[C@@](C2)(CC)C(=O)OCC	MCULE-9509283329,PC-id_164698942	360.451	VDGZUDPBNACXFL-TYILLQQXSA-N	00000010100010000101000000000110000000000000000000000000	31-01-086188
Cc1cc(CN2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)no1	ZINC22_585095499	360.451	UJKZGGJSIJHFBX-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086189
Cc1cc(CN2Cc3cccn3C[C@H](CCOCC(=O)N(C)C)C2)no1	ZINC22_585095500	360.451	UJKZGGJSIJHFBX-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086190
CC(C)(C)OC(=O)N1CCn2c(CCc3ccco3)nnc2CC1(C)C	ZINC22_865215793,EMOLS-id_313166916,MCULE-4212858843	360.451	YIKKNOGOMLGHIS-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086191
CC(C)n1c2c(CCCN(CCCC2=O)C(=O)OC(C)(C)C)c(n1)C#N	SCHEMBL20256980,PC-id_134602643	360.451	FZJUZPCERIYGNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086192
CCCN(CCC1=CCCCC1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135088629	360.451	VJTDISALYWSHJG-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-086193
C[C@H](c1cc2n(n1)CCCN(C2)Cc1cc(oc1C(C)(C)C)C(=O)N)O	PC-id_99972131	360.451	ZJWPNXXMNJYVSB-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086194
C[C@@H](c1cc2n(n1)CCCN(C2)Cc1cc(oc1C(C)(C)C)C(=O)N)O	PC-id_99972132	360.451	ZJWPNXXMNJYVSB-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086195
CN1CCCC1C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111437743	360.451	GCBBVGYKOVBFCQ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-086196
CN1CCC(C1=O)N1CCC(CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_102242633	360.451	GJKBHNWOZFGXHH-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-086197
CN(C)C(=O)COCCC1CN(Cc2cc(C)on2)Cc2cccn2C1	EMOLS-id_313837861	360.451	UJKZGGJSIJHFBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086198
COc1cc(CN2CCc3nnc(C(C)C)n3CC2)cc(OC)c1OC	CoCoCo_1121542,PC-id_42214100,EMOLS-id_20392280,ZINC22_11842084,MCULE-6847076455,CoCoCo_1121543	360.451	YHFWPJLBQYQGBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086199
COc1cc(OC)c(OC)cc1CN1CCc2nnc(C(C)C)n2CC1	CoCoCo_1366111,PC-id_42501854,CoCoCo_1366110,MCULE-8941233898,ZINC22_12283509,EMOLS-id_20565221	360.451	RQFQFTOWOCXCJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086200
COC1(CC(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)CCC1	EMOLS-id_313770956,ZINC22_1565545060	360.451	CSADVZMSGSDSIR-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-086201
n1n2CCCN(Cc3onc(C4CCCCC4)c3)Cc2cc1C(CO)O	PC-id_91798032,MCULE-3293281740,EMOLS-id_55712574	360.451	KIPGZPONIMGLKW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-086202
N#Cc1ccsc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2	PC-id_7649883,ZINC22_5361875,EMOLS-id_11670078,MCULE-3380393242,CoCoCo_2861334	360.451	ANJHXZMLOKFDEW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-086203
N#Cc1c(NC(=O)COC(=O)c2cccs2)sc2c1CCCCC2	MCULE-2063852315,PC-id_2363956,ZINC22_3246708,CoCoCo_2927560,EMOLS-id_3102561	360.451	BOCHFRPCWHIGMO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-086204
OC1(CC(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)CCC1	ZINC22_585110617,EMOLS-id_313779913	360.451	KFFPQKVYNMQDBR-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-086205
OC1(CC(=O)N2CCCn3cnc(C(=O)NC4CCCC4)c3C2)CCC1	EMOLS-id_313790012,ZINC22_1565554276	360.451	MRPUCKZMMSXXAJ-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-086206
OC[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(C3CCCCC3)no1)C2	PC-id_100333918,ZINC22_223926729	360.451	KIPGZPONIMGLKW-LJQANCHMSA-N	00000000100010000101100000000010000000000000000000000000	31-01-086207
OC[C@H](O)c1cc2n(n1)CCCN(Cc1cc(C3CCCCC3)no1)C2	ZINC22_223926791,PC-id_100333929	360.451	KIPGZPONIMGLKW-IBGZPJMESA-N	00000000100010000101100000000010000000000000000000000000	31-01-086208
O[C@H](c1cc2n(n1)CCCN(C2)C(=O)CN1CCCCCC1=O)C1CC1	PC-id_100025541	360.451	JBQMQFQBAXXJAB-IBGZPJMESA-N	00100000100000000101000000000010000000000000000000000000	31-01-086209
O[C@@H](c1cc2n(n1)CCCN(C2)C(=O)CN1CCCCCC1=O)C1CC1	PC-id_100025543	360.451	JBQMQFQBAXXJAB-LJQANCHMSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086210
O=C(N1CCCC1)CN1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111823528	360.451	FGVYDLANQAHCHK-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-086211
O=C(N1CCCc2c(C1)cco2)NC1CCCN(C1)C(=O)N1CCCC1	EMOLS-id_99696452	360.451	OEIAAGMQGXUIMS-UHFFFAOYSA-N	00000010100010000100000000000010000000000000000000000000	31-01-086212
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)CCN1C2CC(CC2)C1	PC-id_76422770	360.451	PIOCEQDTRUSWHD-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-086213
O=C(N1CCN(CC1)C(=O)c1noc2c1CCCCC2)CN1CCCC1	EMOLS-id_100102836	360.451	DTRDUKJECCGIHV-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-086214
O=C(OCc1cc(=O)n2ccsc2n1)c1cc2c(s1)CCCCC2	CoCoCo_2861325,PC-id_2668550,EMOLS-id_43703913,MCULE-8401047016,ZINC22_3551596	360.451	DDNAESAURCDYMD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086215
O=C(OCc1noc(c2ccsc2)n1)c1cc2c(s1)CCCCC2	ZINC22_39554024,PC-id_45777975,MCULE-8962413822,EMOLS-id_44062056	360.451	VXSZHSAFIDVMHR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-086216
s1c2CCCCCc2cc1C(=O)OCc1oc(nn1)c1sccc1	PC-id_2664662	360.451	MVKUODPEZGCSTG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-086217
s1c2CCCCCc2cc1C(=O)OCc1onc(n1)c1ccsc1	PC-id_8254905	360.451	MYXWILCQUNLOBE-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-086218
C1CN(CCn2c1ncc2C(=O)NCc1ccccc1)Cc1ccccc1	PC-id_134805146	360.452	QDGKFOQEBLVFIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086219
Cc1cccc(c1)c1cccc(c1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319921521,MCULE-4869976357	360.452	IDWIKOLVLSMQFT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086220
Cc1ccccc1CN1CCc2ncc(n2CC1)C(=O)Nc1ccccc1	PC-id_134806507	360.452	IQBTZYSOCCKLFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086221
Cc1ccccc1C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	ZINC22_67742555,EMOLS-id_36448697,MCULE-1079673940,PC-id_56714252	360.452	UCVZEHPRVSSHNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086222
Cc1c(cc(cc1)N1CCNCC1)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478271	360.452	VHBCWEVMMFVDOB-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-086223
Cc1ccc(cc1/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)N1CCNCC1	SCHEMBL13076648	360.452	VHBCWEVMMFVDOB-LFVJCYFKSA-N	00000010100010110111100000000010000000000000000000000000	31-01-086224
n12CCCNCc1cc(CCC(=O)Nc1ccccc1c1ccccc1)n2	ZINC22_72424037,EMOLS-id_43104207,MCULE-1759932718,PC-id_70732202	360.452	YTGZPXJKXPOPFP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086225
n12CCCNCc1cc(CNC(=O)Cc1ccc(cc1)c1ccccc1)n2	EMOLS-id_44425679,MCULE-5268869476,ZINC22_82091500,PC-id_70710972	360.452	XYWJMRAJEZTTHQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086226
n12CCCNCc1cc(CNC(=O)C(c1ccccc1)c1ccccc1)n2	PC-id_70707907,MCULE-7802977819,ZINC22_82087340,EMOLS-id_44424549	360.452	IXGIWFRJHDNLIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086227
O=C(C1CCn2c(CC1)nnc2)NC(c1ccccc1)(c1ccccc1)C	EMOLS-id_319406193	360.452	WMVYIKBWADZYLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086228
O=C(Cc1ccc(c2ccccc2)cc1)NCc1nnc2n1CCCCC2	ZINC22_8734221,CoCoCo_3865657,MCULE-5737793784,PC-id_17441823,EMOLS-id_13448796	360.452	REWJXVIKUOYLMM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086229
O=C(NCc1nnc2n1CCCCC2)C(c1ccccc1)c1ccccc1	PC-id_45842343,MCULE-4003308568,CoCoCo_3865659,EMOLS-id_29959932,ZINC22_39975530	360.452	MBGXPPPXYZYSDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086230
O=C(NCCc1nnc2n1CCCCC2)c1ccc(c2ccccc2)cc1	PC-id_16232055,EMOLS-id_13338000,CoCoCo_4472986,MCULE-5946648041,ZINC22_14115020	360.452	MEPYUBUGAPBCOB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086231
c12ccsc1ncn(CC(=O)Nc1sc3c(CCCCC3)n1)c2=O	MCULE-6284314162,EMOLS-id_323360854	360.454	NVEHNNLGLVFIKS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086232
c12CN(CCCn1nc(CCC(=O)NCCO)c2)Cc1cnn(CC)c1	MCULE-2618864689,EMOLS-id_46076049,PC-id_72908033,ZINC22_91793514	360.454	DPRHEUZFASGMPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086233
c12CN(CCCn1nc(CCC(=O)NCCO)c2)CCn1ccc(C)n1	PC-id_70766826,EMOLS-id_44445189,MCULE-1776529832,ZINC22_82137478	360.454	GENFHZJPQLYODE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086234
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cnn(C(C)C)c1	ZINC22_91486082,PC-id_72864107,MCULE-4447027817,EMOLS-id_46044151	360.454	UXQYIVVHNPGCFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086235
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1nccn1C(C)C	MCULE-1312799106,PC-id_70780070,EMOLS-id_44449805,ZINC22_82157325	360.454	AORDUESYAAWVSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086236
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1nccn1CCC	PC-id_72930706,EMOLS-id_46092583,MCULE-1875060780,ZINC22_92020091	360.454	ZNEVCZBQBFEHDK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086237
c12nc[nH]c(=O)c1c(c(C(=O)Nc1sc3c(CCCCC3)n1)s2)C	MCULE-8641769827,EMOLS-id_323303850	360.454	UHYWTQHOVADYLB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086238
c12sccc1ncn(CC(=O)Nc1sc3c(CCCCC3)n1)c2=O	EMOLS-id_323368323,MCULE-7045103162	360.454	GDTQEWPEPKIOIG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086239
c1(CN2CCCn3nc(CNC(=O)COC)cc3C2)c(C)nn(C)c1C	PC-id_70707216,EMOLS-id_44424317,MCULE-8537967106,ZINC22_82087048	360.454	GUXCKIDXYOHVJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086240
c1(CN2CCCn3nc(CNC(=O)COC)cc3C2)cn(nc1C)CC	PC-id_70718158,MCULE-5162599282,ZINC22_82096970,EMOLS-id_44428177	360.454	GISOCISGFJAKOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086241
c1(CN2CCCn3nc(CNC(=O)COC)cc3C2)cnn(CC)c1C	EMOLS-id_46036359,PC-id_72853167,MCULE-2446458855,ZINC22_91382218	360.454	QLYALMKQDXMNGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086242
c1(CN(C)C(=O)NCc2cncn2CCOC)c2CCCCCc2[nH]n1	ZINC22_426580968,EMOLS-id_177463277,MCULE-2850447629,PC-id_121507599	360.454	PCFUVMVSJZTDNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086243
c1(C(O)c2ccnn2C)cc2n(CCCN(CCC(=O)NC(C)C)C2)n1	EMOLS-id_55618432,MCULE-1703985166,PC-id_91765577	360.454	QAIYBZAUZAKUPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086244
CC1CC(C1)C(=O)N1CC(Cn2ncnc2C1)C(=O)N1CCN(C)CC1	EMOLS-id_313724632	360.454	SNXCYDWZJXLHOU-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-086245
CC1CCC(CC1)N1CC(CC1=O)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102160333	360.454	OAGBUXUAEHBFCQ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-086246
CC1CC(C(=O)N2Cc3ncnn3C[C@H](C(=O)N3CCN(C)CC3)C2)C1	ZINC22_1565549510	360.454	SNXCYDWZJXLHOU-YMAMQOFZSA-N	00001000100010000101000000000010000000000000000000000000	31-01-086247
CC1CC(C(=O)N2Cc3ncnn3C[C@@H](C(=O)N3CCN(C)CC3)C2)C1	ZINC22_1614935000	360.454	SNXCYDWZJXLHOU-NRXISQOPSA-N	00001000100010000101000000000010000000000000000000000000	31-01-086248
s1c2c(CCCCC2)c(c1NC(=O)CCN1[C@H](C(=O)NCC1)C)C#N	PC-id_52881553	360.474	DDKBHKCZSZJXGM-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086405
Cc1cn2c(ncc(C(=O)Nc3nc4CCCCCc4s3)c2=O)s1	PC-id_71702376,ZINC22_95473779,STOCK7S-36897,EMOLS-id_44754062,MCULE-8473862316,EMOLS-id_49403064	360.454	YPJBFIMMMVNOLC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086249
Cc1csc2ncc(C(=O)Nc3nc4CCCCCc4s3)c(=O)n12	ZINC22_49546897,EMOLS-id_31665634,MCULE-2082028145,PC-id_51053470,GD-id_ZINC49546897,STOCK7S-06973,EMOLS-id_46561756	360.454	OWRQRWHHAZEMSP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086250
CC(C)Cc1nc(CN(C)C(=O)CCc2cc3CNCCCn3n2)no1	MCULE-8751740896,EMOLS-id_43160258,PC-id_70770358,ZINC22_72473737	360.454	LNOSRNFLLILBHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086251
CC(C)Cc1nc(CN(C)C(=O)NCc2n[nH]c3c2CCCCC3)no1	MCULE-5942596741,ZINC22_426599488,EMOLS-id_177469571,PC-id_121508394	360.454	DPEAQBJRSXYBJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086252
CCCCc1nn(CC(=O)N2CCCn3nc(C)cc3C2)c(=O)n1CC	EMOLS-id_43578109,ZINC22_77407645,PC-id_70743405,MCULE-6145211349	360.454	KOLFRUBPPKBLQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086253
CC(C)/C=C/CN1CCc2nnc(CNC(=O)C3CCC(=O)N3)n2CC1	EMOLS-id_68893829,PC-id_118756484	360.454	JBPDDZHKGREPDW-ONEGZZNKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086254
CC(C)/C=C/CN1CCc2nnc(CNC(=O)[C@H]3CCC(=O)N3)n2CC1	ZINC22_299764017	360.454	JBPDDZHKGREPDW-RDFMZFSFSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086255
CC(C)/C=C/CN1CCc2nnc(CNC(=O)[C@@H]3CCC(=O)N3)n2CC1	ZINC22_299764019	360.454	JBPDDZHKGREPDW-XGACYXMMSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086256
CC(C)CN1CCCn2nc(CNC(=O)C3=NN(C)C(=O)CC3)cc2C1	PC-id_118779217,EMOLS-id_68908719,MCULE-8647770115,ZINC22_299779970	360.454	RJQZMPMWQLARKD-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-086257
CC(C)Cn1nc2CCCCC(C(=O)NCCn3ccnc3C)n2c1=O	MCULE-7933558475,EMOLS-id_207869400	360.454	GAUJNMITNLTFMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086258
CC(Cn1nc2n(c1=O)C(CCCC2)C(=O)NCc1cc(nn1C)C)C	MCULE-4329943420,EMOLS-id_207869412	360.454	OIKFVQKUKGFZHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086259
CCCn1nc(C)cc1CN(CC)C(=O)C1CCCCc2n[nH]c(=O)n12	MCULE-5828400097,PC-id_146048527,EMOLS-id_207869307	360.454	ODBKKDUURTUPRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086260
CC(C)NC(=O)CCN1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1	ZINC22_218823982,PC-id_100027264	360.454	QAIYBZAUZAKUPN-GOSISDBHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086261
CC(C)NC(=O)CCN1CCCn2nc([C@H](O)c3ccnn3C)cc2C1	ZINC22_218824060,PC-id_100027267	360.454	QAIYBZAUZAKUPN-SFHVURJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086262
CCn1cc(CN2Cc3ccnn3C[C@@H](CCNC(=O)COC)C2)cn1	ZINC22_306133835	360.454	MXPZNWZIOJUPEU-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086263
CCn1cc(CN2Cc3ccnn3C[C@H](CCNC(=O)COC)C2)cn1	ZINC22_306133836	360.454	MXPZNWZIOJUPEU-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086264
CCn1nc(c(c1)CN(C(=O)C1CCc2n(CC1)c(=O)n(n2)CC)C)C	EMOLS-id_207876875,MCULE-1549256089	360.454	ODAZKGIFOUPVMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086265
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccco1)(O)C	PC-id_111672552	360.454	KTXYCENOOIANEX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086266
CCN(C(=O)C1CCCCc2n1c(=O)[nH]n2)Cc1c(C)nn(c1C)CC	MCULE-8620176234,EMOLS-id_207869310	360.454	CNNRTRZSIRCEDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086267
CN=C(NCc1nnc2n1CCCCC2)NCCCOCc1ccco1	PC-id_111398713	360.454	BTRWYFHGWYZPFL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086268
COCc1nnc2CCC(CCn12)NC(=O)CCc1c(C)nn(C)c1C	PC-id_91922602,MCULE-2348711596,EMOLS-id_50590347	360.454	JCJKBAAQXDDUNH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086269
COCC(=O)NCCC1CN(Cc2cc(C)nn2C)Cc2ccnn2C1	EMOLS-id_50371843	360.454	WGOCOJGAOFRIEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086270
COCC(=O)NCC[C@H]1CN(Cc2cc(C)nn2C)Cc2ccnn2C1	ZINC22_306141789	360.454	WGOCOJGAOFRIEZ-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086271
COCC(=O)NCC[C@@H]1CN(Cc2cc(C)nn2C)Cc2ccnn2C1	ZINC22_306141790	360.454	WGOCOJGAOFRIEZ-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086272
n12CCN(CCc1nnc2CNC(=O)C1CCC(=O)N1)CC=CC(C)C	MCULE-4266418256	360.454	JBPDDZHKGREPDW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086273
O1CC(CN2CCCn3nc(cc3C2)CN(Cc2onc(n2)C)C)CC1	PC-id_56897683	360.454	VEKXDQCZMQGMIF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086274
O=C1CCC(=O)N1CCN1CCN(Cc2nnc3n2CCCCC3)CC1	MCULE-2254633197,ZINC22_58328764,PC-id_51119578,EMOLS-id_44133869	360.454	YIUKHWCBBDWZIZ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-086275
O=C(C1CCCCC1C(=O)N1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102162607	360.454	GYIKTUMQDCHLDT-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-086276
O=C(C1CCn2c(CC1)nnc2)N1CCN(CC1)C(=O)CN1CCCC1	EMOLS-id_319741005	360.454	JXAXMIXRQGNFTN-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-086277
O=C(Cc1cc(=O)n([nH]1)CC(C)C)NCCc1nnc2n1CCCCC2	MCULE-7504901675,EMOLS-id_320174511	360.454	WWJPPSPQPJQQIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086278
O=C(C(=O)N1CCCC1)N1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_111807498	360.454	KEOWLVATGQCSIO-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-086279
O=C(N1CCC(C1)N1CCCC1=O)NCCc1nnc2n1CCCCC2	EMOLS-id_100298412	360.454	IRBNRNCAYHUTDF-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-086280
O=C(N1CCCN(CC1)C(=O)C1CC1)NCc1nnc2n1CCCCC2	EMOLS-id_100948137	360.454	RHASKVBIWSRWIX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086281
O=S(=O)(c1ccc(c2ccccn2)s1)N1CCCn2cncc2C1	PC-id_56898324,EMOLS-id_43123761,MCULE-6524765365,ZINC22_72160994	360.454	QMOQWVBWAIEKBT-UHFFFAOYSA-N	00000000100100101101100000000010000000000000000000000000	31-01-086282
O=S(=O)(c1csnc1c1ccccc1)N1CCCc2c(C1)c[nH]n2	EMOLS-id_319736744	360.454	KQDYFZKZTBQGOA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086283
s1c2CCCCCc2c(c1NC(=O)CSc1[nH]c(=O)ccn1)C#N	PC-id_4066308	360.454	AEMRMXFJHYPBPN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-086284
c12CN(CCCn1nc(CN1CCOCC1)c2)CCCn1c(C)nnn1	EMOLS-id_43090465,MCULE-2359638603,ZINC22_72140394,PC-id_56890230	360.457	CMLDJCUJTNYRHR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086285
c12CN(CCCn1nc(CNC(=O)CCn1c(C)nnn1)c2)CC(C)C	ZINC22_82117214,PC-id_70745190,MCULE-8074800481,EMOLS-id_44437755	360.457	IRDWITPANCQTGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086286
c1(cn(nn1)CCN)C(=O)N1CCCn2c(cc(n2)CN(C)CCC)C1	PC-id_56908732,EMOLS-id_43155834,ZINC22_72469392,MCULE-4162539505	360.457	LIMJCYMIRUDRQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086287
c1(NC(=O)CSc2ncnc3[nH]cnc23)sc2c(CCCCC2)n1	MCULE-9358296714,EMOLS-id_323463085	360.457	STEDNABZTKIMNE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086288
n12cnnc1ccc(SCC(=O)Nc1sc3c(CCCCC3)n1)n2	EMOLS-id_323460771,MCULE-5846527213	360.457	GOPREYYSLACHDE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086289
O=C(c1sccc1n1cnnn1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98579977	360.457	GUXCYPPPUJMNRY-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-086290
COCCOCC1(COCCOC)COc2c(OC1)c(sc2C)C	PC-id_140833280	360.466	XRDKLODDNICJGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086291
OCCCOCC1(COCCCO)COc2c(OC1)c(sc2C)C	SCHEMBL13104076,PC-id_57857291	360.466	DYAQGGMQHQQIOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086292
N#Cc1c(NC(=O)CSc2ccc(F)cc2)sc2c1CCCCC2	ZINC22_5192371,EMOLS-id_3484085,PC-id_4858505,CoCoCo_2832084,MCULE-9262430420	360.469	QTWRRGOWRAXFCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086293
s1c2CCCCCc2c(c1NC(=O)CSc1c(F)cccc1)C#N	PC-id_4819143	360.469	GBLOVJYIJSOTDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086294
c1(c2CCCCCCc2sc1N)C(=O)Nc1c(OC)ccc(OC)c1	EMOLS-id_29552598,CoCoCo_6799870,PC-id_3264776,MCULE-1657564982,ZINC22_6145636	360.47	RPJPOXDHSOFGDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086295
c1(cc2c(CCCCC2)s1)C(=O)N[C@H]1COC[C@H]1Cc1cc(no1)C	MCULE-2716259575,PC-id_72917165,ZINC22_95383263,EMOLS-id_46639820	360.47	ISLCELJAPUYTIE-ZBFHGGJFSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086296
c1(C(=O)N(CC)CC)c2CCCCCc2sc1NC(=O)c1ccco1	ChEMBL-DNDi_CHEMBL3759-1377,PC-id_1350460,BAS-00486793,EMOLS-id_1230989,ZINC22_1188298,SCHEMBL16210883,CoCoCo_81759,MCULE-9816543671	360.47	ZJJCJFVEOVWMDL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-086297
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCCCCC2)c1C#N	TIMTEC411019,EMOLS-id_4038357,MCULE-3477550656,PC-id_3618993	360.47	QSFQDICYVNWTAA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-086298
c1(NC(=O)CCCOc2ccc(cc2)OC)sc2c(CCCCC2)n1	PC-id_24603973,MCULE-1551596897,EMOLS-id_334604153	360.47	RTJOGKFQIQVFDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086299
CN(CC(=O)NCc1ccco1)C(=O)c1cc2c(s1)CCCCCC2	MCULE-7427109291,PC-id_9515713,ZINC22_8404460,EMOLS-id_3607969,CoCoCo_3296905	360.47	XKXWUVLYRVWNGU-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-086300
COc1ccc(CCC(=O)Nc2nc3CCCCCc3s2)cc1OC	PC-id_29859319,CoCoCo_4546148,EMOLS-id_44038022,ZINC22_21902093,MCULE-9824505881	360.47	UEOURPVDISTZSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086301
COc1cc(CCC(=O)Nc2nc3c(s2)CCCCC3)cc(OC)c1	MCULE-4075861707,EMOLS-id_44038058,PC-id_40120750,ZINC22_32885738,CoCoCo_4546239	360.47	LDJUGLVCIVSEOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086302
COc1ccc(OC)c(CCC(=O)Nc2nc3c(s2)CCCCC3)c1	MCULE-9409014495,EMOLS-id_27392354,ZINC22_30937288,CoCoCo_4670431,PC-id_38094373	360.47	UZUAVXYQKIYOHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086303
COc1c(C)[nH]cc(c1=O)CN(C(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_319914368,MCULE-4597340296	360.47	SWTGMZWJIHLSAS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-086304
COCCn1cc(NC(=O)c2cc3c(s2)CCCCCC3)ccc1=O	PC-id_38781376,ZINC22_31563738,EMOLS-id_45635480,MCULE-6251146520	360.47	HASKARKOAYGZJP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-086305
N#Cc1c(NC(=O)CC2(C(=O)O)CCCC2)sc2c1CCCCCC2	PC-id_56797511,EMOLS-id_37006035,MCULE-9686890569,ZINC22_71817320	360.47	TZTOGQKBLFQSGP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-086306
N#Cc1c(NC(=O)CC2(C(=O)O)CCCCC2)sc2c1CCCCC2	MCULE-1523912331,PC-id_27157233,ZINC22_16482424,EMOLS-id_30646090	360.47	YVQAJSNXGZYQEF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-086307
N#Cc1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCC2	CoCoCo_5821043,ZINC22_2747584,PC-id_7027501	360.47	QSFQDICYVNWTAA-ZIAGYGMSSA-N	00000000100010000100000000000010000000000000000000000000	31-01-086308
N#Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCC2	CoCoCo_5821046,ZINC22_2747586,PC-id_7027497	360.47	QSFQDICYVNWTAA-KGLIPLIRSA-N	00000000100010000100000000000010000000000000000000000000	31-01-086309
N#Cc1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCC2	PC-id_7027495,ZINC22_2747585,CoCoCo_5821045	360.47	QSFQDICYVNWTAA-KBPBESRZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-086310
N#Cc1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_2747583,PC-id_7027499,CoCoCo_5821044	360.47	QSFQDICYVNWTAA-UONOGXRCSA-N	00000000100010000100000000000010000000000000000000000000	31-01-086311
N#CC1(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)CCCCC1	PC-id_7649998,CoCoCo_2861405,EMOLS-id_43703953,MCULE-8074962502,ZINC22_5362100	360.47	UNFXODSGEZFIQV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-086312
O=C(c1noc2c1CCCCC2)N(Cc1cccs1)CC1CCCO1	EMOLS-id_100660760	360.47	OTJLPFUKFFAQIR-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-086313
s1c2CCCCCc2cc1C(=O)NCc1ccc(OCCOC)nc1	PC-id_55744380	360.47	ZDWLWGVTUFRMNL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-086314
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1CCCCC1)C#N	PC-id_3877065	360.47	QYEVHDMGEYZJBV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-086315
s1c2CCCCCc2c(c1NC(=O)COC(=O)CC1CCCC1)C#N	PC-id_45684435	360.47	LQDNRGGOZWUTGX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-086316
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C(=CCC)C)C)C#N	PC-id_56107263	360.47	GTVIAHOBMGHZJV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-086317
s1c2CCCCCc2nc1NC(=O)COc1c(OCCC)cccc1	PC-id_43041016	360.47	MDJCWAORYXTSJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086318
s1c2CCCCCCc2cc1C(=O)Nc1c(OCCOC)nccc1	PC-id_56500144	360.47	CVZGJXOMKLRGPS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-086319
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC1(CCCC1)C#N	PC-id_7618728	360.47	JNYFPACWSSFTOQ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-086320
s1c2CCCCCCc2nc1NC(=O)c1cc(OC)c(OCC)cc1	PC-id_56020824	360.47	JEFLKBYCQRXNBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086321
s1c2CCCCCCc2nc1NC(=O)Cc1cc(OC)c(OC)cc1	PC-id_56022358	360.47	UPRCMQVUBNACLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086322
s1c2CCCCCCc2nc1NC(=O)Cc1c(OC)cc(OC)cc1	PC-id_56022748	360.47	VYFOPNMYYFSDRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086323
s1c2CCCCCCc2nc1NC(=O)COc1c(OC)cc(cc1)C	PC-id_56022361	360.47	CRCBRSWGWOMRJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086324
s1c2N(CCCCc2nc1CCc1c(OC)c(OC)ccc1)C(=O)C	PC-id_10832386	360.47	ONPGUJOGOBLJGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086325
CC1C=NC(=c2c(=CC1)cc[nH]2)Oc1ccc(cc1)Sc1ccccc1	PC-id_144786240	360.472	AGMMXRJLZMAKDC-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-086326
Fc1ccc(c2nc(CSc3nnc4n3CCCCC4)cs2)cc1	EMOLS-id_11938957,PC-id_7877550,MCULE-3346433215,ZINC22_6098368,CoCoCo_3082193	360.472	MLDWQUCNSFJGQF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086327
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1sc2c(CCCC2)n1	PC-id_56907547,MCULE-5363231410,ZINC22_72463342,EMOLS-id_43152218	360.474	IZRYXDUHCDCNKN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-086328
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1cccc(c1)C=C	MCULE-4080988573,PC-id_70769571,EMOLS-id_44446183,ZINC22_82138612	360.474	JKIKRCCHDZQHAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086329
C1CCCc2c(CC1)cc(s2)C(=O)N1CCCC(C1)c1n[nH]c(=O)[nH]1	PC-id_137181953	360.474	COPHCZPYXYFYNJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-086330
C1CCCc2c(CC1)cc(s2)C(=O)N1CCCCC1c1n[nH]c(=O)[nH]1	PC-id_137191974	360.474	KKUMPEVHHIGBIO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-086331
c1(cc(sc1NC(=O)C(C)(C)C)C)C(=O)N1CCCn2cncc2C1	EMOLS-id_43155582,MCULE-8394422063,ZINC22_72159369,PC-id_56908654	360.474	YJHZMNWVWAFQQZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086332
c1(C(O)C2CC2)cc2n(CCCN(C(=O)c3scc(C(C)C)n3)C2)n1	EMOLS-id_55693237,MCULE-3113581437,PC-id_91791488	360.474	REGGVAPRGZJLOM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086333
c1(C(=O)N2CCC(CC2)C(O)c2cccs2)nnc2CCCCCn12	EMOLS-id_316258906,MCULE-1767528096	360.474	IAUCSXMAPAWREC-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-086334
c1(C(=O)N2CC[C@H]([C@H](O)C2)c2sccc2C)nnc2CCCCCn12	EMOLS-id_32417096,ZINC22_65457575,PC-id_50974009,MCULE-7742241939	360.474	UOIFENPATLSHMI-ZIAGYGMSSA-N	00000000100110000101100000000010000000000000000000000000	31-01-086335
c1(C(=O)NCc2cc3n(CCCN(C(=O)C)C3)n2)csc(C)c1CC	ZINC22_85533127,MCULE-6335186350,PC-id_70776867,EMOLS-id_44448673	360.474	NIDBFKMVOPAESB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086336
Cc1ccsc1[C@H]1CCN(C(=O)c2nnc3n2CCCCC3)C[C@@H]1O	ZINC22_210245977	360.474	UOIFENPATLSHMI-KBPBESRZSA-N	00000000100110000101100000000010000000000000000000000000	31-01-086337
Cc1c(scn1)CCC(=O)N1CCCn2c(cc(n2)C(C2CC2)O)C1	PC-id_91796314	360.474	AWFVEABDSQZCCY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086338
Cc1csc(n1)NC(=O)c1nc2c(o1)CCN(CC2)CC1CCCC1	PC-id_134805199	360.474	XPONSDAZIPZURU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086339
Cc1noc(c1)C1CCCN1C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101074399	360.474	XDPCEGDBQLOXIO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-086340
Cc1onc(n1)CN1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_110734911	360.474	RAENXCDQXDJXQO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086341
Cc1scc(n1)CN1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111824010	360.474	GPTURTBDPWXGOZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086342
CC(c1nccs1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111434250	360.474	BRUYDXQUNKUDRF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086343
CC(C)c1csc(C(=O)N2CCCn3nc([C@@H](O)C4CC4)cc3C2)n1	ZINC22_223276762,PC-id_100222677	360.474	REGGVAPRGZJLOM-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086344
CC(C)c1csc(C(=O)N2CCCn3nc([C@H](O)C4CC4)cc3C2)n1	ZINC22_223276815,PC-id_100222684	360.474	REGGVAPRGZJLOM-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086345
FC(CCc1nc2c(s1)CCN(CC2)CCC1CCCCC1)(F)F	PC-id_145451285	360.481	XHQUHGIZELTBNV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086446
CC(C)c1nnc2CCN(CCn12)C(=O)c1ccc(s1)C1CCCO1	EMOLS-id_46039047,MCULE-8101976030,PC-id_72856997	360.474	RSUZZYPRELFPEX-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-086346
CC(C)c1nnc2n1CCN(C(=O)c1ccc([C@H]3CCCO3)s1)CC2	PC-id_97117480,ZINC22_91434585	360.474	RSUZZYPRELFPEX-CYBMUJFWSA-N	00000010100100000101100000000010000000000000000000000000	31-01-086347
CC(C)c1nnc2n1CCN(C(=O)c1ccc([C@@H]3CCCO3)s1)CC2	ZINC22_91434583,PC-id_97117479	360.474	RSUZZYPRELFPEX-ZDUSSCGKSA-N	00000010100100000101100000000010000000000000000000000000	31-01-086348
CC(C)(C(=O)NCc1n[nH]c2c1CCCCC2)NC(=O)c1cccs1	PC-id_135089219	360.474	KGWNELVOQPRYHO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086349
CC(C(=O)c1[nH]c(c(c1C)C(=O)C)C)Sc1nnc2n1CCCCC2	PC-id_16299657,MCULE-6059188986,EMOLS-id_3665139	360.474	BDNQGUCRMVIRQR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-086350
C[C@@H](C(=O)c1[nH]c(c(c1C)C(=C)O)C)Sc1nnc2n1CCCCC2	CoCoCo_4074859	360.474	LMMYAQVQDLVAOQ-ZDUSSCGKSA-N	00000000110000000101000000000010000000000000000000000000	31-01-086351
C[C@H](C(=O)c1[nH]c(c(c1C)C(=C)O)C)Sc1nnc2n1CCCCC2	CoCoCo_4074860	360.474	LMMYAQVQDLVAOQ-CYBMUJFWSA-N	00000000110000000101000000000010000000000000000000000000	31-01-086352
CC(N1CCc2c(C1)sc(n2)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_101047459	360.474	ZQRACVBKINGZAG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-086353
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc3n2CCCCC3)c1C	CoCoCo_4074858,ZINC22_7642032,PC-id_8748863	360.474	BDNQGUCRMVIRQR-CYBMUJFWSA-N	00000000110000000101000000000010000000000000000000000000	31-01-086354
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc3n2CCCCC3)c1C	ZINC22_7642035,CoCoCo_4074857,PC-id_8748867	360.474	BDNQGUCRMVIRQR-ZDUSSCGKSA-N	00000000110000000101000000000010000000000000000000000000	31-01-086355
CC(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	CoCoCo_3566638,MCULE-5682994685,PC-id_2697592,ZINC22_35600708,EMOLS-id_48931755	360.474	YZDVTEUGVUXLPL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086356
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)C(=O)c1ccc(C)s1	EMOLS-id_50586215,PC-id_91910878,MCULE-5949265114	360.474	UUCYUULVVVEVMA-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-086357
COc1ccc(cc1)CNC(=O)C(Sc1nnc2n1CCCCC2)C	EMOLS-id_12003791,MCULE-2180218840,PC-id_17430987	360.474	MJPVMNCDNPJYPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086358
COc1ccc(cc1NC(=O)C(Sc1nnc2n1CCCCC2)C)C	EMOLS-id_13451859,PC-id_17442492,MCULE-8749978924	360.474	FSRTXCRSDBWDNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086359
COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nnc2n1CCCCC2	CoCoCo_4173139,PC-id_25941769,ZINC22_14093391	360.474	FSRTXCRSDBWDNF-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086360
COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2	ZINC22_14093390,CoCoCo_4173138,PC-id_25941768	360.474	FSRTXCRSDBWDNF-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086361
COc1ccc(CN(C)C(=O)CSc2nnc3n2CCCCC3)cc1	ZINC22_12794602,EMOLS-id_16766402,PC-id_17530546,CoCoCo_3081968,MCULE-4038280120	360.474	QQHKKLILEMSNNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086362
COc1ccc(CNC(=O)[C@@H](C)Sc2nnc3n2CCCCC3)cc1	PC-id_7877017,ZINC22_6097629,CoCoCo_3081783	360.474	MJPVMNCDNPJYPD-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086363
COc1ccc(CNC(=O)[C@H](C)Sc2nnc3n2CCCCC3)cc1	ZINC22_6097627,CoCoCo_3081782,PC-id_7877016	360.474	MJPVMNCDNPJYPD-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086364
COC(=O)c1ccc(CN(C)Cn2nc3n(c2=S)CCCCC3)cc1	PC-id_32780882,CoCoCo_4837044,ZINC22_95349851,EMOLS-id_27413964,CoCoCo_4837043,MCULE-9302453985	360.474	CIPMBHCMRFHIMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086365
CS(=O)Cc1cccc(c1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_35693457,MCULE-6066630234,PC-id_53512329	360.474	BLPNRUIXQXFDNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086366
C[S@@](=O)Cc1cccc(C(=O)NCCc2nnc3n2CCCCC3)c1	PC-id_93907138,ZINC22_42766142	360.474	BLPNRUIXQXFDNU-RUZDIDTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-086367
C[S@](=O)Cc1cccc(C(=O)NCCc2nnc3n2CCCCC3)c1	ZINC22_42766147,PC-id_93907139	360.474	BLPNRUIXQXFDNU-VWLOTQADSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086368
N#Cc1c(NC(=O)CN2CCC(C(=O)N)CC2)sc2c1CCCCC2	MCULE-5003491449,ZINC22_6552834,PC-id_7998586,CoCoCo_3569815,EMOLS-id_2878242,CoCoCo_3569814	360.474	NDFYZFKRAKNWIL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-086369
N#Cc1c(NC(=O)CN2CCNC(=O)C2(C)C)sc2c1CCCCC2	EMOLS-id_110672899	360.474	YHQQUBLJZSUNDR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086370
N#Cc1c(NC(=O)C(N2CCNC(=O)CC2)C)sc2c1CCCCC2	EMOLS-id_98308650	360.474	QRVLJPCOPIQRON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086371
O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](n2cc(CO)nn2)C1	ZINC22_293857179	360.474	DDESHTOWWBEVHP-HNNXBMFYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-086372
O=C(c1cc2c(s1)CCCCC2)N1CCC[C@@H](n2cc(CO)nn2)C1	ZINC22_293857184	360.474	DDESHTOWWBEVHP-OAHLLOKOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-086373
OCC1(CCC1)C(c1cccs1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_258125472,MCULE-4494938221	360.474	FRSHLEQXFUQXNT-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-086374
O=C(C1CCn2c(CC1)nnc2)N(Cc1cccs1)CC1CCCO1	EMOLS-id_319611501	360.474	PUNDLGXGASOKEI-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-086375
O=C(c1cnn(c1C)C1CCOCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110590114	360.474	ZONYLZHSFJDCIV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-086376
O=C(c1nnc2n1CCCCC2)N1CCC([C@H](O)c2cccs2)CC1	ZINC22_1506424229	360.474	IAUCSXMAPAWREC-INIZCTEOSA-N	00000000100110000101000000000010000000000000000000000000	31-01-086377
O=C(c1nnc2n1CCCCC2)N1CCC([C@@H](O)c2cccs2)CC1	ZINC22_1506424231	360.474	IAUCSXMAPAWREC-MRXNPFEDSA-N	00000000100110000101000000000010000000000000000000000000	31-01-086378
OCc1nnn(c1)C1CCCN(C1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_316822964,MCULE-3653289376	360.474	DDESHTOWWBEVHP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-086379
O=C(c1noc2c1CCCCC2)N1CCCN(CC1)Cc1ncsc1	EMOLS-id_111418319	360.474	CXFXDISSCMUDMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086380
O=C(c1noc2c1CCCCC2)N1CCN(CC1)c1sc(c(n1)C)C	EMOLS-id_100146452	360.474	KNESBFMZZKKUTE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-086381
O=C(c1sc2c(c1)CCCCCC2)NCc1nnc([nH]1)C1CCOC1	EMOLS-id_316535774	360.474	SCMOSXQGNAVXDL-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-086382
O=C(c1sc(nc1C)C1COCC1)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318020848	360.474	GLOJUNYEKFXTAZ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-086383
O=C(Cn1nc(cc1C)C)NNC(=O)c1sc2c(c1)CCCCCC2	MCULE-2981463262,EMOLS-id_44516380,PC-id_9424821	360.474	FZNWYRMKIRZWDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086384
O=C(N1CCCc2c(C1)cnn2C)NCC1(C)OCCc2c1ccs2	EMOLS-id_101688458	360.474	VXRIGUCOYREVGG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-086385
O=C(N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O)CCc1scnc1C	PC-id_100303474	360.474	AWFVEABDSQZCCY-SFHVURJKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086386
O=C(N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O)CCc1scnc1C	PC-id_100303488	360.474	AWFVEABDSQZCCY-GOSISDBHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086387
O=C(Nc1nc2c(s1)CCCCC2)CCc1nnc(o1)C1CCCC1	EMOLS-id_100019780	360.474	DUUBHLFVFDRXOW-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-086388
O=C(NC(c1n2CC[NH+](CC(CC)CC)CCc2nn1)C)c1occc1	PC-id_74845175	360.474	HWNHBIAHRNCFDU-UHFFFAOYSA-O	00000000101000000101000000000010000000000000000000000000	31-01-086389
O=C(N[C@@H](c1n2CC[NH+](CC(CC)CC)CCc2nn1)C)c1occc1	PC-id_42347410	360.474	HWNHBIAHRNCFDU-CQSZACIVSA-O	00000000101000000101000000000010000000000000000000000000	31-01-086390
O=C(N[C@H](c1n2CC[NH+](CC(CC)CC)CCc2nn1)C)c1occc1	PC-id_42347414	360.474	HWNHBIAHRNCFDU-AWEZNQCLSA-O	00000000101000000101000000000010000000000000000000000000	31-01-086391
O=S1(=Nc2cccc(c2)OCc2nnc3n2CCCCC3)CCCC1	EMOLS-id_278702970	360.474	FSPRVRHYTBGSFS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-086392
O=S1(=Nc2ccc(cc2)OCc2nnc3n2CCCCC3)CCCC1	MCULE-2406193334,EMOLS-id_258061706	360.474	LBSGRCSQFQXHCZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-086393
O=S(=O)(c1ccccc1)N1CCCn2cnc(CN3CCCC3)c2C1	ZINC22_96259331,EMOLS-id_44370208,PC-id_97519415	360.474	DYZDCMOGUBEPEV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-086394
O=S(=O)(NCC1CN(CC2CC2)Cc2ccnn2C1)c1ccccc1	EMOLS-id_50375377	360.474	SKLMIOAFMMTHAJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-086395
O=S(=O)(NC[C@H]1CN(CC2CC2)Cc2ccnn2C1)c1ccccc1	ZINC22_247341854	360.474	SKLMIOAFMMTHAJ-INIZCTEOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-086396
O=S(=O)(NC[C@@H]1CN(CC2CC2)Cc2ccnn2C1)c1ccccc1	ZINC22_247341868	360.474	SKLMIOAFMMTHAJ-MRXNPFEDSA-N	00100000100000110101000000000010000000000000000000000000	31-01-086397
s1c2CCCCCc2cc1C(=O)NCC(=O)Nc1c(n(nc1C)C)C	PC-id_9152080	360.474	QJTPUUKLNVEODX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086398
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cn(nc1)C(C)(C)C	PC-id_60491748	360.474	APLZURUNSYKQBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086399
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1c(n(nc1C)C)C	PC-id_41454240	360.474	QHISZNDMWHOEFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086400
s1c2CCCCCc2cc1C(=O)NNC(=O)CCn1nc(cc1C)C	PC-id_24607686	360.474	ANLAVQJWTGUUAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086401
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s1c2c(CCCCC2)c(c1NC(=O)CCN1[C@@H](C(=O)NCC1)C)C#N	PC-id_52881552	360.474	DDKBHKCZSZJXGM-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086404
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s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1cn(nc1)C	PC-id_52374927	360.474	XTCGTCZFCULJSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086407
s1c(C2C(O)CN(CC2)C(=O)c2n3CCCCCc3nn2)c(cc1)C	PC-id_75593490	360.474	UOIFENPATLSHMI-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-086408
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S(CC(=O)NCc1n2CCCCCc2nn1)c1ccc(OCC)cc1	PC-id_51266330	360.474	OGFXPORITNFUJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086413
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c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)Cc1snnc1C	ZINC22_82106845,EMOLS-id_44432455,PC-id_70730177,MCULE-9918145906	360.477	ISFVONPPOVBJSQ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086415
c12nnnn1CCCCC2C(=O)N1CCCN(Cc2cccs2)CC1	EMOLS-id_316262219,MCULE-3055461390	360.477	BHVRFNOCYMNNOX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086416
c12nnnn1CCCCC2C(=O)NC1CCN(CC1)Cc1cccs1	MCULE-4294714872,EMOLS-id_222750859	360.477	AFOCRUBBWRGVRX-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-086417
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CC(c1nccs1)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319839307	360.477	RGOGCMXQFRYRLG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086424
CCC(c1nnc2n1CCCCC2)NC(=O)c1cnc(s1)NC1CC1	EMOLS-id_319245106	360.477	ROWIIEGCGNVNGH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-086425
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1scnc1C1CC1	EMOLS-id_98258127	360.477	ZARINQKBGQXQBR-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-086426
Cn1ncc(c1)[C@@H]1CN(C[C@H]1N)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_102156784	360.477	YRGBFMFXVWWVTB-QWHCGFSZSA-N	00000010100000000101100000000010000000000000000000000000	31-01-086427
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OC(CN1CC[NH+](CC1)Cc1n2CCCCCc2nn1)Cn1nccc1	PC-id_75763691	360.477	UAYIVURBULOBIH-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-086434
O=C(CSc1nnc2n1CCCCC2)Nc1ccnn1C1CCCC1	CoCoCo_3081340,PC-id_7876593,MCULE-7692875401,ZINC22_6096972,EMOLS-id_3660643	360.477	YPOFWIDIAXPXTE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-086435
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c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)CC1CCCCO1	MCULE-4769973560,EMOLS-id_44431947,PC-id_70728911	360.494	BUZZCGBCLPNECV-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-086449
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c1(NC(=O)c2ccc(cc2)SC)sc2c(CCCCC2)c1C(=O)N	MCULE-8027359980,ZINC22_5222797,CoCoCo_5142093,EMOLS-id_5747013,PC-id_7565358	360.494	VHRLWYCOJIGNCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086451
c1(NC(=O)c2cccc(SC)c2)sc2c(CCCCC2)c1C(=O)N	CoCoCo_5141973,EMOLS-id_5570198,ZINC22_5222591,PC-id_7565167,MCULE-7787164303	360.494	BHTVMHTXXRYQLT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086452
c1(NC(=O)C=Cc2cccs2)sc2c(CCCCCC2)c1C(=O)N	PC-id_1001436,MCULE-7121773631	360.494	XKNZKVGFYSMTQF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-086453
c1(NC(=O)CSc2ccccc2)sc2c(CCCCC2)c1C(=O)N	ZINC22_5192117,MCULE-8969473476,EMOLS-id_5746945,CoCoCo_5138830,PC-id_7545903	360.494	HGGCBAWBXHPOLZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086454
CC1CCC(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)CC1	ZINC22_585110593	360.494	BUHMUCYBORIQNH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086455
CC(C)CNC(=O)c1ncn2c1CN(C(=O)[C@H]1CC[C@H](C)CC1)CCC2	EMOLS-id_313788987,ZINC22_1565548234	360.494	VQTZVQYZVNNVAP-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-086456
CN1CCC(CC1)N1CCC(CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100094475	360.494	FNYWFKBHUBPUJG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-086457
CN1CCN(CC1)CC1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100094535	360.494	KUMJBPYOISLYAS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086458
NC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CCCCCC2	ZINC22_657108,EMOLS-id_25951088,TIMTEC549262,CoCoCo_903050,SPECS-id_AK-968/41926707,PC-id_2168519	360.494	XKNZKVGFYSMTQF-MDZDMXLPSA-N	00000000100100000100000000000010000000000000000000000000	31-01-086459
NC(=O)CSc1ccccc1NC(=O)c1cc2c(s1)CCCCC2	MCULE-6171299298,EMOLS-id_11988946,ZINC22_8987209,CoCoCo_4004864,PC-id_17424930	360.494	NVZKWOGVSSDKBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086460
O=C(C1CCn2c(CC1)nnc2)N1CCC(CC1)OCC1CCCCC1	EMOLS-id_319697139	360.494	ZRMIGTCEFUPNSX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086461
O=C(CCc1cc2n(n1)CCCN(C[C@@H]1CCCCO1)C2)N1CCCC1	PC-id_96574289,ZINC22_82106488	360.494	BUZZCGBCLPNECV-IBGZPJMESA-N	00000010100010000101000000000010000000000000000000000000	31-01-086462
O=C(CCc1cc2n(n1)CCCN(C[C@H]1CCCCO1)C2)N1CCCC1	PC-id_96574290,ZINC22_82106489	360.494	BUZZCGBCLPNECV-LJQANCHMSA-N	00000010100010000101000000000010000000000000000000000000	31-01-086463
O=C(N(C1CC1)C1CCC(CC1)CC)Cn1nc2n(c1=O)CCCCC2	PC-id_55593945	360.494	FSSKNDXAEPSUEC-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-086464
O=C(Nc1sc2c(c1C(=O)N)CCCCCC2)/C=Cc1cccs1	CoCoCo_903051	360.494	XKNZKVGFYSMTQF-KTKRTIGZSA-N	00000000100100000100000000000010000000000000000000000000	31-01-086465
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(SC)cc1	PC-id_8624147	360.494	ZMYCOZMVLROLDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086466
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1sccc1C	PC-id_84974424	360.494	SYUDGVAMPBUJKF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-086467
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1sc(cc1)C	PC-id_85007902	360.494	RULKMVDUARJCCK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-086468
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1sccc1C	PC-id_9301064	360.494	SYUDGVAMPBUJKF-BQYQJAHWSA-N	00000000100100000100000000000010000000000000000000000000	31-01-086469
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1sc(cc1)C	PC-id_9429471	360.494	RULKMVDUARJCCK-MDZDMXLPSA-N	00000000100100000100000000000010000000000000000000000000	31-01-086470
s1c2CCCCCc2cc1C(=O)NNC(=O)CSc1ccccc1	PC-id_9300993	360.494	SKCYSJWNNRFNEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086471
s1c2c(CCCCC2)c(c1NC(=O)c1c(SC)cccc1)C(=O)N	PC-id_7266819	360.494	AFFRBFUBPIVXBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086472
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1sccc1)C(=O)NC	PC-id_7475082	360.494	YWIUVLOVJNKUIH-MDZDMXLPSA-N	00000000100100000100000000000010000000000000000000000000	31-01-086473
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1sccc1)C(=O)NC	PC-id_78487961	360.494	YWIUVLOVJNKUIH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-086474
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccccc1)C(=O)OC	PC-id_20408721	360.494	GHJLYTAYZHXQBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086475
s1c2CCCCCCc2cc1C(=O)NNC(=O)C=Cc1sccc1	PC-id_85009912	360.494	VVMNRVHHTKBHLV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-086476
s1c2CCCCCCc2cc1C(=O)NNC(=O)/C=C/c1sccc1	PC-id_9441666	360.494	VVMNRVHHTKBHLV-MDZDMXLPSA-N	00000000100100000100000000000010000000000000000000000000	31-01-086477
Cc1ccccc1c1cccc(CN2CCc3nnc(C(C)C)n3CC2)c1	CoCoCo_1248176,MCULE-3662746633,PC-id_28957518,CoCoCo_1248175,ZINC22_20455098,EMOLS-id_20483853	360.495	FYEUBRXSTPYRMJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086478
Cc1ccc(C)c(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1	PC-id_28313404,CoCoCo_1167824,ZINC22_19745791,MCULE-4530738676,CoCoCo_1167823,EMOLS-id_20426637	360.495	IBDSITYDTVAUKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086479
Cc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c(C)c1	PC-id_26281570,ZINC22_14887534,MCULE-3727519073,EMOLS-id_20459965,CoCoCo_1214090,CoCoCo_1214089	360.495	DNQMLUABYZTVNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086480
CCc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1	CoCoCo_1432929,ChEMBL-DNDi_CHEMBL53299774,CoCoCo_1432928,ZINC22_14954566,EMOLS-id_20609823,PC-id_26318361,MCULE-7503154011	360.495	OJMQHXJNYKWCJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086481
CC(CN1CCc2nnc(CCc3ccccc3)n2CC1)c1ccccc1	MCULE-4196251028,PC-id_45194164,ChEMBL-DNDi_CHEMBL28370626,EMOLS-id_20502683	360.495	XLNCXKWHVCKSNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086482
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s1c(C(=O)N2CCC(CC2)C(=O)NC2CC2)cc2CCCCCCc12	PC-id_52410558	360.514	YZYRSEJIVXYWSY-UHFFFAOYSA-N	00100000100010000100000000000010000000000000000000000000	31-01-086528
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c12CN(CCC)CCCn1nc(CNC(=O)c1csc(CCC)c1)c2	MCULE-5846596794,EMOLS-id_44450467,ZINC22_82160527,PC-id_70782044	360.517	DDVXRMXVRSXRBS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086530
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c12CN(CCCn1nc(CNC(=O)c1csc(CC)c1)c2)CC(C)C	PC-id_70741134,EMOLS-id_44436323,ZINC22_82109716,MCULE-3886276653	360.517	XHKBBLMPWOVIDM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086532
c12CN(CCCn1nc(CO)c2)Cc1cc(cs1)CN1CCCCC1	EMOLS-id_50549427,PC-id_90653753,ZINC22_221426303,MCULE-8548446828	360.517	RGTLEGHKRQIVPX-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-086533
c12N(CCCCc1cc(C(=O)NCc1c(C)nn(CC)c1C)s2)CC	MCULE-6677604258,EMOLS-id_97030544	360.517	FWLLNIZWXJEDEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086534
c12N(CCCCc1cc(C(=O)NCCc1c(C)nn(C)c1C)s2)CC	MCULE-1018152409,EMOLS-id_97013646	360.517	HQQGMBCBBNMDRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086535
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C[C@@H](c1nn2c(c1)CN(CCC2)Cc1scc(c1)CN1CCCC1)O	PC-id_99973853	360.517	SGUMWWRQUDCLSE-HNNXBMFYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-086540
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CCN(CC)CCC1CN(Cc2ccnn2C1)C(=O)Cc1ccsc1	EMOLS-id_50372699	360.517	DEHYHWKKWTVCMD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086542
CCN(CC)CC[C@H]1CN(C(=O)Cc2cccs2)Cc2ccnn2C1	ZINC22_248263607	360.517	RMLWIZHRBBZGRG-INIZCTEOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086543
CCN(CC)CC[C@@H]1CN(C(=O)Cc2cccs2)Cc2ccnn2C1	ZINC22_248263608	360.517	RMLWIZHRBBZGRG-MRXNPFEDSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086544
CCN(CC)CC[C@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn2C1	ZINC22_248235069	360.517	DEHYHWKKWTVCMD-KRWDZBQOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086545
CCN(CC)CC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn2C1	ZINC22_248235072	360.517	DEHYHWKKWTVCMD-QGZVFWFLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086546
CC(O)c1cc2CN(Cc3cc(CN4CCCC4)cs3)CCCn2n1	PC-id_91771712,MCULE-9644305419,EMOLS-id_55635926	360.517	SGUMWWRQUDCLSE-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-086547
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c1(N2CCCC2)sc(cn1)CN1CCCn2c(cc(n2)CN(C)C)C1	MCULE-3519225693,PC-id_56899967,ZINC22_72164589,EMOLS-id_43129991	360.52	USQGECIJKBRTLK-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-086561
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s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1C[C@H](C[C@@H](C1)C)C)C#N	PC-id_27151616	360.537	JJRUYWSMWZEJLQ-GJZGRUSLSA-O	00000000100010000100000000000010000000000000000000000000	31-01-086593
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1[C@@H](CCCC1)CC)C#N	PC-id_27067164	360.537	IWOJNACWCCEVHN-OAHLLOKOSA-O	00000000100010000100000000000010000000000000000000000000	31-01-086594
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1[C@H](CCCC1)CC)C#N	PC-id_27067166	360.537	IWOJNACWCCEVHN-HNNXBMFYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-086595
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+](C1CCCCC1)C)C#N	PC-id_27067385	360.537	OFZYDILGKOVOCM-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-086596
s1c2c(CCCCCC2)cc1C(=O)N1CC(CCC1)c1sccn1	PC-id_56533029	360.537	IWPVYRBPRISLDM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-086597
s1c(NC(=O)[C@@H]([NH+]2C[C@@H](C[C@@H](C2)C)C)C)c(c2c1CCCCC2)C#N	PC-id_9430921	360.537	AXBIKCMOXCJTBZ-ZNMIVQPWSA-O	00000000100010000100000000000010000000000000000000000000	31-01-086598
s1c(NC(=O)[C@@H]([NH+]2C[C@H](C[C@@H](C2)C)C)C)c(c2c1CCCCC2)C#N	PC-id_9430923	360.537	AXBIKCMOXCJTBZ-KKUMJFAQSA-O	00000000100010000100000000000010000000000000000000000000	31-01-086599
s1c(NC(=O)[C@@H]([NH+]2C[C@@H](C[C@H](C2)C)C)C)c(c2c1CCCCC2)C#N	PC-id_9430925	360.537	AXBIKCMOXCJTBZ-KFWWJZLASA-O	00000000100010000100000000000010000000000000000000000000	31-01-086600
s1c(NC(=O)C([NH+]2CC(CC(C2)C)C)C)c(c2c1CCCCC2)C#N	PC-id_85008197	360.537	AXBIKCMOXCJTBZ-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-086601
CCC1CCC(CC1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112076860	360.54	QERFLKJQLGSDBQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086602
CCC1CCCC(C1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112082053	360.54	SPMGTZJPDVSECM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086603
CCCC1(C)CCCN(C1)C(=NC)NCCc1nnc2n1CCCCC2	PC-id_109490440	360.54	YNKCNEOEKAXXSP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086604
C=CCCCCCN(C(=NCCc1nnc2n1CCCCC2)NCC)C	PC-id_109484145	360.54	RGSWXAPMNLPSHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086605
C=CCCCCCN(C(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_109483585	360.54	JCVMRGBQNOMMND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086606
CCNC(=NCC1(CC)CCC1)NCCCc1nnc2n1CCCCC2	PC-id_109469227	360.54	QZIXNSBIYKBPLX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-086607
CCNC(=NCC1(CC)CCCC1)NCCc1nnc2n1CCCCC2	PC-id_109794898	360.54	GXEFCYYJSDAGPG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086608
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(C1)C(CC)CC	PC-id_111743877	360.54	DFVVAGSCKZWXDC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086609
CCNC(=NCc1nnc2n1CCCCC2)N1CCCC(C1)(C)CCC	PC-id_109490550	360.54	JTMZWFUCVLOPRF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086610
CCNC(=NCc1nnc2n1CCCCC2)NC1CCC(CC1)C(C)C	PC-id_109841204	360.54	SIJZUIOLGUOJHA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086611
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CCC1)CC(C)C	PC-id_109683151	360.54	BTQYFUOEACJXFD-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-086612
CCNC(=NCc1nnc2n1CCCCC2)N(CC1CCC(CC1)C)C	PC-id_109515935	360.54	HPQZXPJMFVGIQN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086613
CCNC(=NCc1nnc2n1CCCCC2)NCCCC1CCCCC1	PC-id_111947387	360.54	MGTFHWRVPXKPSA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086614
CCNC(=NCc1nnc2n1CCCCC2)NCCCCC1CCCC1	PC-id_111609038	360.54	HGOAOCWBRNENBI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086615
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(C1)CC(C)C	PC-id_111734689	360.54	CWWAUWUUWJYAQP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086616
CCNC(=NCCCC1CCCC1)NCCc1nnc2n1CCCCC2	PC-id_111946903	360.54	YFVQETKBPDBGSB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086617
CCNC(=NCCCc1nnc2n1CCCCC2)N1CC(C1(C)C)(C)C	PC-id_109452369	360.54	WMFVEQNCEURRRD-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-086618
CCNC(=NCCCc1nnc2n1CCCCC2)N1CC(C)CC(C1)C	PC-id_111154319	360.54	NLSDHVRPRZYSOA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086619
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCC(CC1)C	PC-id_111256047	360.54	GUEUDXRXXQFOHN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086620
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCC(C1)C	PC-id_112076966	360.54	XYFLSWSPTJJCOH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086621
CN=C(N1CCC(C1)CC(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111734649	360.54	NUUWQQYMSSRGKC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086622
CN=C(NC1CCC(CC1)C(C)C)NCCc1nnc2n1CCCCC2	PC-id_109841212	360.54	AFHJPAYPPTZENO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086623
CN=C(NC1CCC(CC1)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_112081721	360.54	QPYPJWDSKKJIJS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086624
CN=C(NC1CC(C)CC(C1)C)NCCCc1nnc2n1CCCCC2	PC-id_112081845	360.54	IFVKUWKGVBITAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086625
CN=C(NCC1(CCC1)CC(C)C)NCCc1nnc2n1CCCCC2	PC-id_109683159	360.54	AMOITUOFAKHXNV-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-086626
CN=C(NCC1(CCCC1)CC(C)C)NCc1nnc2n1CCCCC2	PC-id_109591815	360.54	WEXHEGJEUKXKBG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086627
CN=C(N(CC1CCC(CC1)C)C)NCCc1nnc2n1CCCCC2	PC-id_109515773	360.54	IAJFSDKOVAGQPH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086628
CN=C(NCC1(CC)CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_109794388	360.54	HYNHOMPERVUPRN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086629
CN=C(NCCc1nnc2n1CCCCC2)NCCC1CCCC(C1)C	PC-id_111558107	360.54	GDGXOBQYHPWKAI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086630
CN=C(NCCc1nnc2n1CCCCC2)NCCCC1CCCCC1	PC-id_111947415	360.54	LTOIZHUYHLCNPL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086631
CN=C(NCCc1nnc2n1CCCCC2)NCCCCC1CCCC1	PC-id_111608914	360.54	ZLWKVSGDWFODIN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086632
CN=C(NCCCC1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111946603	360.54	ANPOQVAUVAYNMG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086633
CN=C(NC(CCC1CCCCC1)C)NCc1nnc2n1CCCCC2	PC-id_109482339	360.54	YSALFQYCQYDVBG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086634
s1c2CCCCCc2c(c1NC(=O)CCCCCCCCCC)C#N	PC-id_5172401	360.557	HCQWYIPLQTVYME-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-086635
s1c2CCCCCCc2c(c1NC(=O)CCCCCCCCC)C#N	PC-id_4683943	360.557	UHFPOFZHGWOWDI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-086636
s1c(C(=O)N2CCC(N3CCCCC3)CC2)cc2c1CCCCCC2	PC-id_52726234	360.557	MFZGCBOPDYTZCV-UHFFFAOYSA-N	00000000100010000100100000000010000000000000000000000000	31-01-086637
CCNc1sc(c2c1ssssss2)NCC	PC-id_118729223	360.649	RURMHKXFBVXTSL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-086638
Brc1c(Cl)ncnc1Sc1nnc2n1CCCCC2	PC-id_114071814	360.661	MAJDIDUXPDGOJE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-086639
Brc1c(Sc2n3CCCCCc3nn2)nc(Cl)nc1	PC-id_79073041	360.661	GCUDUUJHHQNFPN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-086640
O=c1c(Cl)cc(C(F)(F)F)cn1Cc1nnc2n1CCCCCC2	ZINC22_8877955,EMOLS-id_11935244,CoCoCo_4540880,MCULE-9702701860,PC-id_17399139	360.762	HGBCRHBUPLFEDC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-086641
c1(C(=O)N2CCCn3nc(CO)cc3C2)nn2c(ncc(C)c2)c1Cl	PC-id_91766063,MCULE-6308024545,EMOLS-id_55619782	360.798	HFRKZDVIFSWSFA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086642
Clc1ccc2[nH]c(CCC(=O)N3CCc4n[nH]c(=O)n4CC3)nc2c1	EMOLS-id_50589909,PC-id_91910594,MCULE-7268624832	360.798	XJORCVJASKOFII-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086643
Clc1cnn(CC(=O)N2CCCn3c(Cn4ccnc4)nnc3C2)c1	EMOLS-id_313731028,ZINC22_1565555287	360.801	WIAOACPNBCXHNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086644
Clc1ccc(cc1)C1OCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_303317761	360.835	YOZOUGIXRABUPT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-086645
Clc1ccc(cc1)[C@@H]1[C@H](O)CCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_102243134	360.835	NFNPBDBGCOGYLJ-CRAIPNDOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-086646
Clc1ccc(cc1)[C@@H]1OCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_99288493	360.835	YOZOUGIXRABUPT-QGZVFWFLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-086647
Clc1ccc(C(=O)c2n3c(CCCCC3)c(c2N)C(=O)OCC)cc1	PC-id_23856659	360.835	PSSFPBXCFRZPSX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086648
Clc1c(OC2CCN(CC3CC3)Cc3occc23)ccc(c1)C(=O)N	PC-id_68411220	360.835	YGQAMCHKLGOTFI-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-086649
O=C(c1noc2c1CCCCC2)N1CCC(C1)Oc1ccccc1Cl	EMOLS-id_100141464	360.835	VFMBRXWKXRNQEL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-086650
O=C(c1noc2c1CCCCC2)N1CCOC(C1)c1ccccc1Cl	EMOLS-id_100962537	360.835	MCMDKXAMUJRJNS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-086651
Clc1ccc(s1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_112072057	360.836	FCIDVACGWSGPOR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086652
O=C(NS(=O)(=O)c1sccc1Cl)c1noc2c1CCCCC2	PC-id_136546782,EMOLS-id_112089446,ZINC22_408504122,MCULE-2423969813	360.836	WOWYXNFJXTZUPI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086653
c12CN(CCCn1nc(CNC(=O)c1cccc(C)c1Cl)c2)C(=O)C	EMOLS-id_44431047,PC-id_70726342,ZINC22_82099646,MCULE-9148864119	360.838	RGWALOOFPORRAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086654
c1(C(=O)N2CCOC(c3ccc(cc3)Cl)C2)nnc2CCCCCn12	MCULE-4200266593,EMOLS-id_68927495,PC-id_118788714	360.838	GIWGNOZTLKOAOM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-086655
Cc1ccc(Cl)cc1NC(=O)Cn1cc2c(n1)CC(C)(C)CNC2=O	ZINC22_634559311,EMOLS-id_316990020,MCULE-6386793380	360.838	LQMZKLDJTOFMMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086656
CCCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)Cl	CoCoCo_2544619,PC-id_20964785	360.838	UXFGNCLTISJKCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086657
CC(NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)Cl)C	PC-id_20964784,CoCoCo_2544618	360.838	ARXMLHPMJWVUKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086658
CC(=O)Nc1ccc(Cl)c(c1)C(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_32220866,ZINC22_55042394,PC-id_50950527,MCULE-2246498846	360.838	XRXKCCGZHKWDPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086659
Clc1cc2CC(Oc2cc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_55535873	360.838	AASILNDKTMCWKL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-086660
Clc1cccc(c1)C1OCCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320078305,MCULE-7099681763	360.838	RPBCIBASMOCSOD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-086661
Clc1cccc(c1)C(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97519056	360.838	RAXUIQASVYGRBF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-086662
Clc1ccc(cc1)OC1CCN(C1)C(=O)C1CCn2c(CC1)nnc2	MCULE-7460879705,EMOLS-id_319993278	360.838	UPINPUCMKAUORS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-086663
Clc1cc(CNC(=O)N2CCCc3c(C2)cnn3C)c2c(c1)CCO2	EMOLS-id_101713901	360.838	MSAOTIYWGUEGOR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-086664
O=C(C1CCn2c(CC1)nnc2)N1CCC(C1)Oc1ccccc1Cl	EMOLS-id_319235375	360.838	AZHZQDGZEVSWAE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-086665
O=C(c1nnc2n1CCCCC2)N1CCO[C@H](c2ccc(Cl)cc2)C1	ZINC22_299792647	360.838	GIWGNOZTLKOAOM-HNNXBMFYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-086666
O=C(c1nnc2n1CCCCC2)N1CCO[C@@H](c2ccc(Cl)cc2)C1	ZINC22_299792659	360.838	GIWGNOZTLKOAOM-OAHLLOKOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-086667
O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1noc2c1CCCCC2	ZINC22_155974395	360.838	UZFLDSWKTOBEIE-LBPRGKRZSA-N	00000010100000101101100000000010000000000000000000000000	31-01-086668
O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1noc2c1CCCCC2	ZINC22_155974524	360.838	UZFLDSWKTOBEIE-GFCCVEGCSA-N	00000010100000101101100000000010000000000000000000000000	31-01-086669
Clc1ccc(cc1)C1CCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183306	360.841	CDRUKPSLDAXZJV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-086670
Clc1cnc(nc1)C(=O)N1CC(CN2CCCC2)Cn2ccnc2C1	EMOLS-id_313723613	360.841	WXCOAOZRHUIRQE-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-086671
O=C(C1CCN(C1)c1ccccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102176492	360.841	VJVNLOHOJUKYLM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-086672
O=C(c1ncc(Cl)cn1)N1Cc2nccn2C[C@H](CN2CCCC2)C1	ZINC22_1565552770	360.841	WXCOAOZRHUIRQE-ZDUSSCGKSA-N	00000010100000100101000000000010000000000000000000000000	31-01-086673
O=C(c1ncc(Cl)cn1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_1614933031	360.841	WXCOAOZRHUIRQE-CYBMUJFWSA-N	00000010100000100101000000000010000000000000000000000000	31-01-086674
O=C(N1CCCC1c1ccccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102158902	360.841	ORTNDZYNGQBFBV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-086675
O=C(NC1(CCC1)c1ccc(cc1)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102175574	360.841	RFICFKNQBKFXGN-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-086676
O=C(NC1CCn2c(CC1)nnn2)N[C@@H]1C[C@H](C1)c1ccccc1Cl	EMOLS-id_102181356	360.841	DAPUUDNYNHHYIG-DHKXFDHISA-N	00001000100000110101100000000010000000000000000000000000	31-01-086677
Fc1ccc(c(c1)Cl)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112813689	360.855	HALUPTVAEUITGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086678
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCCCC2)c1C#N	MCULE-9336047717,CoCoCo_792360,PC-id_1342153,STOCK2S-45695,EMOLS-id_1992594,ZINC22_1177794	360.858	JNMXAAJYAJQSDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086679
Clc1cc(C(=O)Nc2sc3CCCCCc3c2C#N)c(OC)cc1	PC-id_4556854	360.858	JZYBIQNGMKUXKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086680
N#Cc1c(NC(=O)COc2ccccc2Cl)sc2c1CCCCC2	PC-id_4135799,CoCoCo_3169295,ZINC22_5752546,EMOLS-id_3061649,MCULE-2520267260	360.858	ZGQHFBYWUBAUIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086681
C1CCc2nnc(n2CC1)/C(=C(/CSc1ccc(cc1)Cl)O)/C#N	PC-id_135571564	360.861	SERSASGITIPVEN-PFONDFGASA-N	00000000100000110101000000000010000000000000000000000000	31-01-086682
Cc1nc2ccc(Cl)cn2c1NC(=O)c1cc2c(s1)CCCNC2	ZINC22_2325778552	360.861	DQJNZVJUHYEDNY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086683
CC(=O)NCc1nnc2n1CC[N@@H+](CC2)C/C(=C/c1ccccc1)/Cl	GD-id_ZINC12078247	360.861	AKHMDSBXLMYUQU-WJDWOHSUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-086684
Clc1cc(c2oc(nc2)CSc2n3CCCCCc3nn2)ccc1	PC-id_24439349	360.861	OOLFFDVSWWXFJU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086685
Clc1ccc(c2cnc(CSc3nnc4n3CCCCC4)o2)cc1	PC-id_8320284,CoCoCo_3654404,EMOLS-id_3551146,MCULE-5069056127,ZINC22_7215214	360.861	SRHLDRSMIQFRKV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086686
Clc1ccc(c2nc(CSc3nnc4n3CCCCC4)co2)cc1	PC-id_45859039,EMOLS-id_29975536,MCULE-7842277118,ZINC22_40012026,CoCoCo_4311491	360.861	SOEYSXSSWIIJHN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086687
Clc1ccccc1c1nc(CSc2nnc3n2CCCCC3)co1	EMOLS-id_33362383,ZINC22_58366143,PC-id_48378189,MCULE-6984639874	360.861	NQEMSVMCVMWKHF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086688
Clc1ccc(SCC(=O)C(=C2N3CCCCCC3=NN2)C#N)cc1	PC-id_78696554	360.861	JDJRFXODPUZDHV-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-086689
Clc1ccc(SCC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)cc1	PC-id_8435708	360.861	JDJRFXODPUZDHV-SAPNQHFASA-N	00000011000000110111000000000010000000000000000000000000	31-01-086690
O=C(NCc1nnc2n1CCCCC2)c1sc2ccccc2c1Cl	PC-id_45859652,ZINC22_40012905,EMOLS-id_30238377,MCULE-8322743764	360.861	LDUJZKKQRVNZCI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086691
Clc1ccc(Cn2c3C(CCCCc3nc2C(C)C)CC(=O)O)cc1	SCHEMBL2473320,PC-id_46829878	360.878	IYDKJGCTFAPXLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086692
COCCC1CN(Cc2cccn2C1)C(=O)CCc1ccccc1Cl	EMOLS-id_313839398	360.878	ZJQZUWRLAIINGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086693
COCC[C@@H]1CN(C(=O)CCc2ccccc2Cl)Cc2cccn2C1	ZINC22_585095589	360.878	ZJQZUWRLAIINGG-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086694
COCC[C@H]1CN(C(=O)CCc2ccccc2Cl)Cc2cccn2C1	ZINC22_585095590	360.878	ZJQZUWRLAIINGG-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086695
c12CN(CCC)CCCn1nc(CNC(=O)c1ccc(cc1C)Cl)c2	MCULE-7651072882,EMOLS-id_44430497,ZINC22_82098930,PC-id_70724675	360.881	ZOQKHHVIMYMMMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086696
c12CN(CCC)CCCn1nc(CNC(=O)Cc1ccc(cc1)Cl)c2	MCULE-4987473098,PC-id_70714893,ZINC22_82096215,EMOLS-id_44427057	360.881	QVMLEMOZTHEUDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086697
c1(CN(C)CCC(=O)Nc2ccccc2Cl)c2CCCCCc2[nH]n1	PC-id_91833907,EMOLS-id_55640678,MCULE-4646836386,ZINC22_244723810	360.881	MHRXASURQJMIJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086698
c1(CN(C)C(=O)NCCc2cccc(Cl)c2)c2CCCCCc2[nH]n1	EMOLS-id_82709063,PC-id_119062009,MCULE-8170552936,ZINC22_426422040	360.881	UHDOQNLHRZZMFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086699
Cc1cc(C(=O)NCCCc2nnc3n2CCCCC3)c(C)cc1Cl	MCULE-5396337792,EMOLS-id_316882711,ZINC22_280215097	360.881	RKHFFOWCQZVCOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086700
CCC(c1ccc(cc1)Cl)(NC(=O)C1CCn2c(CC1)nnc2)CC	MCULE-1747617553,EMOLS-id_320012981	360.881	CXSPVQZFPLSUFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086701
C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1nnc2n1CCCCC2	PC-id_51124942,MCULE-2954240805,EMOLS-id_32081304,ZINC22_54979659	360.883	ABGXDMGGOOIGQY-SECBINFHSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086702
Clc1sc(S(=O)(=O)NC(c2n3CCCCCc3nn2)C)cc1	PC-id_75617957	360.883	ABGXDMGGOOIGQY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086703
Cn1nc(c(c1Cl)S(=O)(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_96545656	360.883	SHXPDBZNKBLENU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086704
CCNC(=NCc1ccc(cc1)Cl)NCc1nnc2n1CCCCC2	PC-id_111130648	360.884	KMZXWYFGVSCXNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086705
CCNC(=NCc1ccccc1Cl)NCc1nnc2n1CCCCC2	PC-id_111173890	360.884	XLMSNLHHKDDGLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086706
CCNC(=NCc1cccc(c1)Cl)NCc1nnc2n1CCCCC2	PC-id_111175785	360.884	CNJSHRSRPZLAPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086707
CN=C(N(Cc1ccc(cc1)Cl)C)NCc1nnc2n1CCCCC2	PC-id_111293811	360.884	FTHFBCAEONGJKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086708
CN=C(N(Cc1ccccc1Cl)C)NCc1nnc2n1CCCCC2	PC-id_111294689	360.884	MOBJWBDHAWGUAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086709
CN=C(N(Cc1cccc(c1)Cl)C)NCc1nnc2n1CCCCC2	PC-id_111305525	360.884	NDXJOYBSIMQWQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086710
CN=C(NCc1ccc(cc1)Cl)NCCc1nnc2n1CCCCC2	PC-id_111132189	360.884	BXNJJIQYPODUFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086711
CN=C(NCc1ccccc1Cl)NCCc1nnc2n1CCCCC2	PC-id_111175431	360.884	XLFCPVGTYRTNKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086712
CN=C(NCc1cccc(c1)Cl)NCCc1nnc2n1CCCCC2	PC-id_111177006	360.884	NTDQHTRNKXMWMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086713
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccc(cc1)Cl	PC-id_111196600	360.884	VKTJXQYQKDOPDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086714
CN=C(NCc1nnc2n1CCCCC2)NCCc1cccc(c1)Cl	PC-id_111357692	360.884	ZAWVIDVHXYECOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086715
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccccc1Cl	PC-id_111882493	360.884	FMAHOLLINCPMSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086716
C1CCN2C(=NC(=N2)Br)C(C1)OC3=C(C(=C(C=C3)F)F)F	PC-id_153606603	361.004	SNEJELBVVJOTDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086717
C/C/1=N/NC(=NC2=C(COC1)C(=C(S2)C)CC3=CC(=CC=C3)Cl)C	PC-id_163945193	361.102	RULRRXNYXFNBMQ-NHDPSOOVSA-N	00000000100000110111000000000010000000000000000000000000	31-01-086718
C1CCC2=C(CC1)NN=C2C(=O)NS(=O)(=O)C3=CC4=C(C=C3)OCC4	PC-id_154755449,MCULE-4037293690,EMOLS-id_112062284	361.11	RAAGQXXFFGRSHP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-086719
C1CCC2=C(CC1)NN=C2C(=O)NS(=O)(=O)C3=CC4=C(COC4)C=C3	PC-id_154754244,MCULE-2747091936,EMOLS-id_112057074	361.11	MKMKIYNDSYQQQU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-086720
CN1C=C2C(=C1C(=O)NC3=CC=NC=C3)CC[C@@H](NS2(=N)=O)C(=C)O	PC-id_154991324	361.121	JNBOISAJHDFCLK-POIHQHRPSA-N	00000000100000101101000000000010000000000000000000000000	31-01-086721
CO[C@H]1CC(CC(C2=NNN=C2[C@@H]1OC)(F)F)C(=O)CCC(=O)OC	PC-id_155054560	361.145	VNORNNLRPNZWPL-RGPJEPLZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086722
CCC(=O)O[C@H](C(F)(F)F)c1cc(c2-c1ccccc2)Br	PC-id_101151972	361.154	VNZCQFUGGYXNSR-AWEZNQCLSA-N	00000010100000000110000000000010000000000000000000000000	31-01-086723
CCOC(=O)[C@@H](C(F)(F)F)c1cc(c2-c1ccccc2)Br	PC-id_101362051	361.154	STOBWMATPXMHOU-ZDUSSCGKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-086724
CC1=CN2C=CC(=CN(C2=N1)C)NC(=O)C3=NN(C=N3)CC4=CC=CC=C4	PC-id_154021377	361.165	WFPLVULWQGLEHD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-086725
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CCCC2=C3C=CC=CC=C3C=C2	PC-id_153788498	361.168	HDEOLUOUSSALKB-NRFANRHFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086726
O=C(N1CCn2c(C=C1)cc(n2)I)OC(C)(C)C	PC-id_138671259,SCHEMBL21041635	361.179	SESPOCUYNBMZCA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-086727
O=C(N1CCCn2cc(Br)cc2C1)[C@]12COC[C@H]1C2(F)F	ZINC22_2325803461	361.182	IBZRFSMPLBTUSV-YPMHNXCESA-N	00100010100000000101010000000010000000000000000000000000	31-01-086728
Brc1cnc2n(c1)nc(c2)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_316699062	361.193	QZRXHVAYLHUPPN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086729
Brc1cnc2n(c1)nc(c2)C(=O)N1CCc2c(CC1)nc[nH]2	SCHEMBL15282794,PC-id_86697870	361.197	OWIYFCWQSBPLHZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086730
Brc1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1F	PC-id_78650360	361.212	LYDBHVCNOCQUGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086731
Brc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1F	PC-id_8275435	361.212	LYDBHVCNOCQUGP-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086732
Brc1cc(C=C(c2n3CCCCCc3nn2)C#N)c(F)cc1	PC-id_4815932	361.212	UJIGMCVGZVXVTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086733
Brc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)c(F)cc1	PC-id_6214661	361.212	UJIGMCVGZVXVTQ-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086734
Brc1cc(F)c(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_51561726	361.212	UGZVTQVHXQTGSN-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086735
Brc1cc(F)c(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_75674990	361.212	UGZVTQVHXQTGSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086736
CC(C)(C)OC(=O)C1=C2CCC=CCCC2=C(N1C)C(=O)OC(C)(C)C	SCHEMBL18653333,PC-id_165005614	361.225	IXJSOWFYVVUZFS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-086737
BrCCn1c2c(C(=O)CCN(C2=O)Cc2ccccc2)cc1	PC-id_20085233,SCHEMBL6989705	361.233	OZWZOKGDNQWZTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086738
Brc1ccc2c(c1)CCN2C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320177953,MCULE-5017947363	361.236	KDQZDXHHDMMJRZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-086739
C1=C(SC=c2cn[nH]c2=N1)C(=O)Oc1c(c(c(c(c1F)F)F)F)F	PC-id_91571945	361.247	HCTLNFDNHAWIDW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-086740
O=S(=O)(Cc1ncc(Cl)cc1Cl)c1nnc2n1CCCCC2	MCULE-8157637528,EMOLS-id_189667380,ZINC22_184793609	361.247	NUBLCSBZBCCNHA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-086741
CC(C)(C)[C@@H](C(=O)CNC)NC(=O)c1c2CN(CCCn2c(n1)C=C)C	PC-id_163929985	361.248	RHVYKGFRQRPONH-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086742
C1CCc2c(CC1)[se]c(c2C#N)N=Cc1c(ccc(c1)F)O	PC-id_136880219	361.272	BCOFQKABIWDPBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086743
BrC/C=C/Cc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2	PC-id_10067129	361.273	FMVDYGAKYABEQT-SNAWJCMRSA-N	00000010100000000110000000000010000000000000000000000000	31-01-086744
BrCC=CCc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2	PC-id_10361204	361.273	FMVDYGAKYABEQT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-086745
CCC(=O)[C@@]1(CCCC2=CN(CCCC[C@](C(=O)CC1)(C)CC)N=N2)C	PC-id_148169657	361.273	KCHPMQHRMHDLGE-LEWJYISDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086746
CCC(=O)[C@@]1(CCCC2=CN=NN2CCCC[C@](C(=O)CC1)(C)CC)C	PC-id_147575445	361.273	FVJNJTOCQJJOKU-LEWJYISDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086747
CN1C[C@@H](CC[C@@H](C1)N(C)C)C(=O)N(C)CC2=NNC3=C2CCCCC3	PC-id_165420545	361.284	QVBVXTDDWHNRBO-CVEARBPZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086748
C1(C)(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)CC1(Cl)Cl	PC-id_2931623,EMOLS-id_2197366,TIMTEC191078,MCULE-4633169233	361.287	HHBRUWUWMHLLAW-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-086749
C[C@@]1(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)CC1(Cl)Cl	PC-id_2167916,CoCoCo_899083,ZINC22_2759653	361.287	HHBRUWUWMHLLAW-AWEZNQCLSA-N	00100000100000000100000000000010000000000000000000000000	31-01-086750
C[C@]1(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)CC1(Cl)Cl	ZINC22_2759654,PC-id_2167917,CoCoCo_899084	361.287	HHBRUWUWMHLLAW-CQSZACIVSA-N	00100000100000000100000000000010000000000000000000000000	31-01-086751
ClC1(Cl)C(C1)(C)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_43004232	361.287	AEYPPWCNXSNAMC-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-086752
CNC(=O)ONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O	PC-id_141055252	361.306	DBGVXYVBQYVOFY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-086753
Clc1sc(Cl)cc1C(=O)Nc1sc2CCCCCCc2n1	PC-id_56021721	361.31	GHWWIWSKVVHCNN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086754
O=C(N1CCN(C(=O)C1)CC(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102161134	361.323	FMXAUDNZRFLPCN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086755
c1(csc2CCCCCc12)C(=O)Nc1c(F)c(F)c(c(F)c1F)F	PC-id_46260534,CoCoCo_2171533,MCULE-4553559282,EMOLS-id_24385055	361.33	KEZDVEBGXHUNKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086756
FC(Oc1ccc(cc1F)S(=O)(=O)N1CCCc2c(C1)cco2)F	EMOLS-id_99303047	361.336	SDDDUQXOOSNVGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086757
FC(Oc1ccccc1S(=O)(=O)N1CCCc2c(C1)cco2)(F)F	EMOLS-id_99304532	361.336	MLAAFKKKQVXEDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086758
BrC(c1sc2c(CCCCC2)c1)c1cc2CCCc2cc1	PC-id_63440397	361.339	UDPLVWRCMNLNIX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-086759
COC(=O)C(CC(CC1CCCCc2n1c(=O)on2)(F)F)NC(=O)C	PC-id_23500588,SCHEMBL6801846	361.341	NKPNSAQEEJUZGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086760
COC(=O)C1=CN(CC(c2c1cn[nH]2)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777869,PC-id_121358801	361.343	MDNQSLQCJKNBPV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-086761
COC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777882,PC-id_121358814	361.343	MZYZIQMPOKAEIS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-086762
O=C(Nc1nc2c(s1)CCCCC2)NCc1onc(n1)C(F)(F)F	EMOLS-id_319615569	361.343	HYPFNIKDFNSLLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086763
OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL19690725	361.343	FJTSGRHULDJNAK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-086764
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc(c1)C(F)(F)F	PC-id_78866042	361.343	SGRCEJDUKRCLQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086765
CCOC(=O)c1c2-c(ccccc2)n(c1=O)C(CC(=O)O)C(=O)OCC	PC-id_88752729,SCHEMBL11273001	361.346	UUFXNAJRQOUZGF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-086766
CCOC(=O)c1c2-c(n(c1=O)C(C(=O)OC)CC(=O)OC)ccccc2	PC-id_56606204,SCHEMBL11272998	361.346	HDWPQFHHPKBONP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-086767
OC(=O)Cn1c(=O)c(c2-c1ccccc2)C(=O)OCOC(=O)C(C)(C)C	SCHEMBL11275631	361.346	RGPMTDHEUNQUKF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-086768
O(C(=O)c1c2-c(c(c1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)ccccc2)C	PC-id_10594727	361.347	HNGAQYMPYKBYGD-FMIVXFBMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086769
O(C(=O)c1c2-c(c(c1)C(=O)C=Cc1ccc([N+](=O)[O-])cc1)ccccc2)C	PC-id_85198573	361.347	HNGAQYMPYKBYGD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086770
O(C(=O)c1c2-c(c(c1)/C=C/C(=O)c1ccc([N+](=O)[O-])cc1)ccccc2)C	PC-id_10498791	361.348	QVRRZRRNCQSWFP-FMIVXFBMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086771
O(C(=O)c1c2-c(c(c1)C=CC(=O)c1ccc([N+](=O)[O-])cc1)ccccc2)C	PC-id_85161022	361.348	QVRRZRRNCQSWFP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086772
c1(C(=O)OC)cc2n(CCCN(C(=O)c3cc(OC)nc(OC)n3)C2)n1	PC-id_50960370,ZINC22_65396520,EMOLS-id_32391374,MCULE-3687572545	361.353	UQALCGNNMPYNBT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-086773
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c12CN(CCCn1nc(CNC(=O)CCC(F)(F)F)c2)C(=O)N(C)C	PC-id_70723794,ZINC22_82098568,MCULE-6388330368,EMOLS-id_44430185	361.363	NBGLCUGEDQRTSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086775
O=C(C1CCn2c(CC1)nnc2)NCC(C(F)(F)F)N1CCOCC1	MCULE-4656253764,EMOLS-id_320020230	361.363	QTRQRNFJNWJUSK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086776
O=C(N1CCC(CC1)(O)C(F)(F)F)NCc1nnc2n1CCCCC2	EMOLS-id_110758335	361.363	VLCIXQGWUNIRGE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086777
CC1CN(CCN1CC(F)(F)F)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166966	361.366	YUHVDARZOXLIJH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086778
O=C(N1CCCN(CC1)CC(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102183291	361.366	NITKWIVINJREQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086779
O=C(N1CCN(CC1)C(C(F)(F)F)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102165016	361.366	HAAPWPJBFYRLEP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086780
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)COc1ccc(cc1)F	MCULE-6453845157,ZINC22_72424395,PC-id_56893821,EMOLS-id_43105455	361.368	OYPFTYDVTHUOHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086781
Fc1ccc(C(O)C(=O)N2CCCn3nc(cc3C2)CCC(=O)O)cc1	PC-id_56884357	361.368	GVFJYABMMPBEGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086782
Fc1c(C(=O)N2CCCn3nc(cc3C2)CCC(=O)O)c(OC)ccc1	PC-id_70725143	361.368	DBZFXAGDCVPAKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086783
OC(=O)CCc1nn2c(c1)CN(CCC2)C(=O)[C@H](c1ccc(cc1)F)O	PC-id_95867491	361.368	GVFJYABMMPBEGQ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086784
OC(=O)CCc1nn2c(c1)CN(CCC2)C(=O)[C@@H](c1ccc(cc1)F)O	PC-id_95867492	361.368	GVFJYABMMPBEGQ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086785
CON(C(=O)c1cc(F)ccc1NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316477586	361.371	PRTATRSAPPRTNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086786
C[C@H]1C[C@@H](c2nc(nn12)C(=O)N[C@H]1CCn2c(cc(n2)C)N(C1=O)C)F	SCHEMBL20276721,PC-id_135130775	361.374	RKXNXDLATVFYRF-DCAQKATOSA-N	00000010100000000101000010000010000000000000000000000000	31-01-086787
CC(C)(C)C1=CCCCc2c1c(c(s2)NC(=O)C(F)(F)F)C(=O)O	SCHEMBL5479322,PC-id_87840940	361.379	WZNWGAHTQHVUKQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-086788
CC(C)(C)OC(=O)c1c(sc2c1C=CCCC2)NC(=O)C(F)(F)F	SCHEMBL4141252,PC-id_87626348	361.379	JOOBGTQGWVUENH-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-086789
O=C(N1CCC(C1)(C(=O)O)C(F)(F)F)c1cc2c(s1)CCCCC2	EMOLS-id_71461316,PC-id_121651531,MCULE-6324829559	361.379	QEPFMHCZOWJVOT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-086790
OC(=O)[C@@H]1CN(C[C@H]1C(F)(F)F)C(=O)c1cc2c(s1)CCCCC2	PC-id_120951498	361.379	YPDZRJNPTNLTKB-GHMZBOCLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-086791
C1CC1CNC(=O)c1nc2c(o1)CCN(CC2)Cc1c(cc(cc1)F)F	PC-id_134805917	361.386	UFLBGWCZOULEAI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-086792
C1CC1CNC(=O)c1nc2c(o1)CCN(CC2)Cc1c(c(ccc1)F)F	PC-id_134809271	361.386	DEGVWLNJDKWHBM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-086793
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1cc(F)c(F)cc1C	EMOLS-id_313807151	361.386	XUROFEVOARCVKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086794
CNC(=O)C[C@H]1CN(C(=O)c2cc(F)c(F)cc2C)Cc2cccn2C1	ZINC22_585099235	361.386	XUROFEVOARCVKG-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086795
CNC(=O)C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2C)Cc2cccn2C1	ZINC22_585099236	361.386	XUROFEVOARCVKG-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086796
Fc1ccc(c(c1)F)C1(CCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102181041	361.389	YMXNIXFTGQOBOU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-086797
Fc1ccc(c(c1)F)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316717237	361.389	JIMAMBCPBJOTHY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-086798
Fc1cc(C(=O)N2CC(CN3CCCC3)Cn3ccnc3C2)c(F)cn1	EMOLS-id_313722589	361.389	MKGBLTOXMOMHAM-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-086799
Fc1c(CN2CCn3c(nnc3CNC(=O)C3CC3)CC2)ccc(F)c1	ChEMBL-DNDi_CHEMBL20363338,PC-id_28736110,CoCoCo_1212259,CoCoCo_1212258	361.389	AFEKADBYPPOMCJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-086800
O=C(c1cc(F)ncc1F)N1Cc2nccn2C[C@H](CN2CCCC2)C1	ZINC22_1565549153	361.389	MKGBLTOXMOMHAM-ZDUSSCGKSA-N	00000010100000101101000000000010000000000000000000000000	31-01-086801
O=C(c1cc(F)ncc1F)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_1614932023	361.389	MKGBLTOXMOMHAM-CYBMUJFWSA-N	00000010100000101101000000000010000000000000000000000000	31-01-086802
[C@]12(CC[C@](OC1=O)(C)C2(C)C)C(=O)N1CCCn2c(cc(n2)C(=O)O)C1	ZINC22_65398331,PC-id_50961808,EMOLS-id_32394098,MCULE-2622433169	361.392	QNYXHTCQCQXYKQ-MSOLQXFVSA-N	00000010100000000101000000000110000000000000000000000000	31-01-086803
COc1c(cc(cc1)CN1CCCn2c(cc(n2)CO)C1)OCC(=O)O	PC-id_91762508	361.392	LFHYCBBCNYOVTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086804
n1n2CCCN(Cc3ccccc3OCC(=O)O)Cc2cc1C(CO)O	MCULE-4440188551,PC-id_91769839,EMOLS-id_55630646	361.392	PJMUDUUYJXJISN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086805
O1C2(C(C(CC2)(C1=O)C(=O)N1CCCn2nc(cc2C1)C(=O)O)(C)C)C	PC-id_75590853	361.392	QNYXHTCQCQXYKQ-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-086806
O=C(O)COc1ccccc1CN1CCCn2nc([C@@H](O)CO)cc2C1	PC-id_99973474,ZINC22_217101892	361.392	PJMUDUUYJXJISN-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086807
O=C(O)COc1ccccc1CN1CCCn2nc([C@H](O)CO)cc2C1	PC-id_99973475,ZINC22_217101911	361.392	PJMUDUUYJXJISN-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086808
N#Cc1ccc(C2=CCN(C(=O)c3coc4c3NC(=O)CCC4)CC2)cc1	ZINC22_1875278391	361.394	VLFOXMHLTSYNBL-UHFFFAOYSA-N	00000000100011110100100000000010000000000000000000000000	31-01-086809
C1CC(C1)C(c1nn2CCCN(Cc2c1)C(=O)CN1C(=O)CNC1=O)O	PC-id_90647419	361.396	BANRFUHFTLCYTQ-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-086810
COc1ccc(OC)c(CNC(=O)NCc2nnc3n2CCOCC3)c1	MCULE-9766852908,EMOLS-id_320314573,ZINC22_1615590622	361.396	LSVRWZBDTQJRHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086811
COc1cc(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)on1	EMOLS-id_313780426,ZINC22_1565542622	361.396	RPYMFACCGUGKOB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086812
COc1cc(C(=O)N2CCCn3cnc(C(=O)NCC(C)C)c3C2)on1	ZINC22_1565547345,EMOLS-id_313788731	361.396	PXQDJGJNUHJSEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086813
O1C(CCC1)c1onc(n1)CN1CCCn2nc(cc2C1)CCC(=O)O	PC-id_56905259	361.396	MHBLPSWDBAZVKM-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-086814
OCc1ccc(o1)C(=O)NCc1nn2c(c1)CN(CCC2)C(=O)N(C)C	PC-id_102602740	361.396	DAJAFSPPAKOADB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086815
O[C@H](c1cc2n(n1)CCCN(C2)C(=O)CN1C(=O)CNC1=O)C1CCC1	PC-id_100006458	361.396	BANRFUHFTLCYTQ-INIZCTEOSA-N	00001010100000000101000000000010000000000000000000000000	31-01-086816
O[C@@H](c1cc2n(n1)CCCN(C2)C(=O)CN1C(=O)CNC1=O)C1CCC1	PC-id_100006460	361.396	BANRFUHFTLCYTQ-MRXNPFEDSA-N	00001010100000000101000000000010000000000000000000000000	31-01-086817
C1Cn2c(c(nn2)C(=O)Nc2ccccc2)CN(C1=O)Cc1ccccc1	PC-id_134810899	361.397	QKLIZQMGPGNLFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086818
O=C(Nc1sc2c(n1)cc(c(c2)C)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102007005	361.397	OGEBEQYCJZBHQN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086819
c1(C(=O)NC(C)c2n(CC)ncn2)cn2c(CCN(CC(=O)O)CC2)n1	MCULE-5831837780,EMOLS-id_336506047	361.399	QTADCLBYFFUMKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086820
Cc1nn(CCC(=O)NCc2nnc3n2CCCCC3)c(C)c1[N+](=O)[O-]	MCULE-3445054405,PC-id_51134183,ZINC22_58332187,EMOLS-id_32170201	361.399	LREIMRYKHDAHIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086821
CC(C(c1nnc2n1CCNCC2)NC(=O)C(=O)Nc1noc(c1)C)C	EMOLS-id_36460427,PC-id_56719973,MCULE-4541006874	361.399	AEOCXQUJJFKJBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086822
CC([C@H](c1nnc2n1CCNCC2)NC(=O)C(=O)Nc1noc(c1)C)C	PC-id_95225415	361.399	AEOCXQUJJFKJBE-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086823
CC([C@@H](c1nnc2n1CCNCC2)NC(=O)C(=O)Nc1noc(c1)C)C	PC-id_95225416	361.399	AEOCXQUJJFKJBE-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086824
CCn1ncnc1[C@@H](C)NC(=O)c1cn2c(n1)CCN(CC(=O)O)CC2	ZINC22_1940196198	361.399	QTADCLBYFFUMKC-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086825
CCn1ncnc1[C@H](C)NC(=O)c1cn2c(n1)CCN(CC(=O)O)CC2	ZINC22_1940196199	361.399	QTADCLBYFFUMKC-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-086826
O=C(NCCc1n2CCCCCc2nn1)Cn1nc(c([N+](=O)[O-])c1C)C	PC-id_55535131	361.399	UBVBDHGHTMVNEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086827
N#Cc1ccc(CC(=O)N2CCCn3c(nnc3Cn3ccnc3)C2)cc1	EMOLS-id_313730772,ZINC22_1565555177	361.4	VICDONHYVSWEDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086828
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCCOC(C)C	PC-id_19523849	361.402	GJZOQTFMZMWEHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086829
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCc2sccc2C1	MCULE-6386022617,PC-id_145885014,EMOLS-id_323952380,ZINC22_593313535	361.402	WPWQOGFIMXEPKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086830
O=C(N1CCCc2c(C1)ccs2)NCc1scc(n1)C(F)(F)F	EMOLS-id_318358440	361.406	JVOTZZPKAONQOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086831
Cc1cc(cc(c1)F)CN1CCc2c(CC1)oc(n2)C(=O)NCCOC	PC-id_134807693	361.411	IBRNPAWASLYYQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086832
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)c1occc1	PC-id_32214644	361.412	YJLDUNFUEDEBAP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-086833
c1(C(C(C)C)NC(=O)c2cccc(F)c2OC)nnc2CCNCCn12	PC-id_56716002,MCULE-9062971299,EMOLS-id_36452301	361.414	OKJXHKZZPKCBFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086834
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccc(c(c1)F)OC	EMOLS-id_43405163,PC-id_72104315,MCULE-2929627981	361.414	RJCYQMMXFWWLJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086835
CC[C@H](NC(=O)Nc1ccc(OC)c(F)c1)c1nnc2n1CCCCC2	PC-id_95973597,ZINC22_75104758	361.414	RJCYQMMXFWWLJS-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086836
CC[C@@H](NC(=O)Nc1ccc(OC)c(F)c1)c1nnc2n1CCCCC2	PC-id_95973598,ZINC22_75104759	361.414	RJCYQMMXFWWLJS-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086837
COc1c(F)cccc1C(=O)N[C@H](c1nnc2n1CCNCC2)C(C)C	PC-id_95213244,ZINC22_67805049	361.414	OKJXHKZZPKCBFR-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086838
COc1c(F)cccc1C(=O)N[C@@H](c1nnc2n1CCNCC2)C(C)C	PC-id_95213245,ZINC22_67805050	361.414	OKJXHKZZPKCBFR-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086839
Fc1ccc([C@@H](O)CNC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_52632286	361.414	DWZKKISYXOPLGX-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086840
Fc1ccc(C(O)CNC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_75887782	361.414	DWZKKISYXOPLGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086841
Fc1c([C@H](O)CNC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_52632372	361.414	CESJAUBWZZPBDZ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086842
Fc1c([C@@H](O)CNC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_52632373	361.414	CESJAUBWZZPBDZ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086843
Fc1c(C(O)CNC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_75887813	361.414	CESJAUBWZZPBDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086844
O=C(NCCc1nnc2n1CCCCC2)NC[C@@H](O)c1ccc(F)cc1	PC-id_52632285,ZINC22_59119278	361.414	DWZKKISYXOPLGX-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086845
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(C(=O)C)s1	EMOLS-id_43165506,ZINC22_72475682,PC-id_56912009,MCULE-5994853091	361.415	XYQFHTJTVIDFKG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-086846
CCOc1ccc(cc1)OCC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625384	361.415	NASJXKRTXZSIQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086847
COc1c(cc(cc1)CC(=O)Nc1nc2c(s1)C(=O)NCCC2)OC	PC-id_90625391	361.415	AOSLCRKUJAZNJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086848
O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1nnc(C2CC2)o1	PC-id_72052531,ZINC22_47689196,EMOLS-id_42949111,MCULE-2093671168	361.415	JITVCFTXHOCTEM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-086849
OC(=O)c1csc(n1)C1CCCN1C(=O)c1noc2c1CCCCC2	PC-id_145876134,EMOLS-id_278912279	361.415	YJRNWRVIQXDMAW-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-086850
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1occc1	PC-id_9301080	361.415	LMWAPQVOPLSRFP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-086851
s1c2CCCCCc2cc1C(=O)NNC(=O)C(=O)NCc1occc1	PC-id_8202835	361.415	VSKHQJHOMKAMMD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-086852
s1c2CCCCCc2nc1NC(=O)c1cc([N+](=O)[O-])c(OCC)cc1	PC-id_46696506	361.415	QWPMPEYURDDQFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086853
s1c2CCCCCCc2nc1NC(=O)c1cc([N+](=O)[O-])c(OC)cc1	PC-id_56021844	361.415	RZOXNYONGUKNBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086854
s1c2CCCCCCc2nc1NC(=O)COc1ccc([N+](=O)[O-])cc1	PC-id_56022617	361.415	KWZAGKGUPQYQIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086855
s1c2CCCCCCc2nc1NC(=O)COc1cc([N+](=O)[O-])ccc1	PC-id_56021339	361.415	ZYQACKZCSFVKLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086856
c1(C(=O)NC2CSCC2)cn2c(CCN(CC2)C(=O)c2ccon2)n1	EMOLS-id_331105798,MCULE-7132015459	361.419	BUGZASSYIAFSAU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086857
CC(C(=O)Nc1ccccc1[N+](=O)[O-])Sc1nnc2n1CCCCC2	MCULE-8192846958,EMOLS-id_3465962,PC-id_4804159	361.419	ADHIEKWIFMOFJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086858
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccccc1[N+](=O)[O-]	CoCoCo_3081941,PC-id_7877221,ZINC22_6097899	361.419	ADHIEKWIFMOFJQ-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086859
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccccc1[N+](=O)[O-]	PC-id_7877220,CoCoCo_3081942,ZINC22_6097898	361.419	ADHIEKWIFMOFJQ-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-086860
CC(=O)N1CCc2c1cc(cc2)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320086842,MCULE-6283453788	361.419	SXAXLCPAFZPMJO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-086861
CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320194983,MCULE-1847635967	361.419	KJFHNPBGJJMWIR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-086862
CN(C1CCc2nn(C)c(=O)n2CC1)S(=O)(=O)c1cccc(c1)C#N	MCULE-8394750829,EMOLS-id_50586209,PC-id_91910876	361.419	LDDUZCYEGMDKIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086863
COc1cnc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)nc1	EMOLS-id_313794099,ZINC22_1565552828	361.419	AFSRRTVCUIQPRB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-086864
CS(=O)(=O)N1CCCn2c(C1)cc(n2)CNc1nc2c(o1)cccc2	MCULE-6582306450,PC-id_70746938,EMOLS-id_44438363	361.419	XDUDGWIIMJHWPQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086865
n12ccsc1nc(CN1CCCn3c(cc(n3)C(CO)O)C1)cc2=O	EMOLS-id_55684769,PC-id_91788639,MCULE-1794352626	361.419	YDATYEFVLGEBJP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086866
O=C1Nc2c(C1(C)C)cc(cc2)S(=O)(=O)N1CCCn2c(C1)cnn2	MCULE-1593804312,EMOLS-id_319989617	361.419	PCNQDTRCKIKLGP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-086867
O=C(c1cccc(c1)S(=O)(=O)N1CCCn2c(C1)cnn2)NC1CC1	EMOLS-id_319172159	361.419	JTQKBJIRDNEQKI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-086868
OC[C@@H](c1nn2c(c1)CN(CCC2)Cc1cc(=O)n2c(n1)scc2)O	PC-id_99986739	361.419	YDATYEFVLGEBJP-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086869
OC[C@H](c1nn2c(c1)CN(CCC2)Cc1cc(=O)n2c(n1)scc2)O	PC-id_99986743	361.419	YDATYEFVLGEBJP-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086870
O=C(N[C@@H]1CCSC1)c1cn2c(n1)CCN(C(=O)c1ccon1)CC2	ZINC22_1875241587	361.419	BUGZASSYIAFSAU-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086871
O=C(N[C@H]1CCSC1)c1cn2c(n1)CCN(C(=O)c1ccon1)CC2	ZINC22_1875241591	361.419	BUGZASSYIAFSAU-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-086872
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(ccc([N+](=O)[O-])c1)C	PC-id_7876675	361.419	WXXKVUVOGPIELB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086873
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(cc([N+](=O)[O-])cc1)C	PC-id_7876677	361.419	JXAIPTKZWZUYOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086874
O=C(NC1CCCC1)c1nnc2CN(CCCn12)C(=O)c1csnn1	ZINC22_1565551761,EMOLS-id_313786424	361.422	KHGZNXOAAAQMNR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-086875
S(=O)(=O)(N1CCCn2nc(cc2C1)CNc1ncnc2[nH]ccc12)C	PC-id_70731258	361.422	VAHKKDZTDQWDEO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-086876
O=C(Nc1nc2c(s1)CCCCC2)NC1CCCC(C1)C(F)(F)F	PC-id_112825120	361.426	KPYMGBVVVDLEQX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086877
c1(NC(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_5359001,PC-id_5183740,MCULE-6071419699,ZINC22_4103871,CoCoCo_5015575	361.43	SDPQDLYBQDWNHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086878
c1(NC(=O)c2ccccc2F)sc2c(CCCCC2)c1C(=O)OCC	PC-id_1083353,EMOLS-id_1239751,ZINC22_799282,BAS-00540393,MCULE-3971092679,CoCoCo_91222	361.43	KSAGZEBPWRVMKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086879
c1(NC(=O)c2ccccc2F)sc2c(CCCCCC2)c1C(=O)OC	MCULE-4869120863,PC-id_2862573,SPECS-id_AK-968/37171006,TIMTEC388870,ZINC22_4646561,ChEMBL-DNDi_CHEMBL5695901,CoCoCo_683532,EMOLS-id_2095515	361.43	PTLIDNXJUAMJDL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086880
c1(NC(=O)c2ccc(cc2)F)sc2c(CCCCCC2)c1C(=O)OC	SPECS-id_AK-968/12116547,PC-id_1137530,ZINC22_879638,CoCoCo_228736,MCULE-7235129606,TIMTEC412825,BAS-02052848,EMOLS-id_1363193	361.43	QUFJMBOPHRGVOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086881
c1(NC(=O)c2cccc(F)c2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_5015576,EMOLS-id_2095695,ZINC22_995254,TIMTEC502130,MCULE-6431833984,PC-id_1220260	361.43	VJUXJMBFSBYQQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086882
c1(NC(=O)c2cccc(F)c2)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_2095327,PC-id_2862534,TIMTEC429846,ZINC22_4611740,MCULE-5628720227,CoCoCo_683315,SPECS-id_AK-968/11986048	361.43	RNJGHYDPPHWQIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086883
O=C(COC(=O)c1cc2c(s1)CCCCC2)NCc1ccc(F)cc1	ZINC22_3552965,PC-id_2670092,EMOLS-id_43703879,CoCoCo_2861287,MCULE-8334145056	361.43	HRJLZUDWONUFFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086884
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1ccc(F)cc1)C	PC-id_78474830	361.43	ZNXGTHJAEJBUIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086885
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(F)c(cc1)C	PC-id_7351944	361.43	BHUQZOFAKLALAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086886
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(F)cccc1)C	PC-id_45647898	361.43	PXXACDVLKJQBIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086887
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(F)cc(cc1)C	PC-id_7649848	361.43	MMRZXWVHCWZZBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086888
s1c2CCCCCc2cc1C(=O)OCC(=O)NCc1c(F)cccc1	PC-id_9403288	361.43	GFXPBQUKRWRXBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086889
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)C	PC-id_7352044	361.43	ZNXGTHJAEJBUIN-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086890
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)C	PC-id_7352045	361.43	ZNXGTHJAEJBUIN-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086891
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(F)cccc1)C	PC-id_7352004	361.43	PXXACDVLKJQBIQ-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086892
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(F)cccc1)C	PC-id_7352005	361.43	PXXACDVLKJQBIQ-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086893
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(F)cc1)C(=O)OC	PC-id_7597247	361.43	VXLZRHHLHPMLHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086894
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1c(F)cccc1	PC-id_7618719	361.43	MELPEFPFDHLVQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-086895
Fc1cc(NCc2nnc3n2CCCCC3)c(cc1F)N1CCCCC1	EMOLS-id_318300389	361.432	QXEZUKSGAUDAQK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-086896
c1(NC(=O)CCC(=O)Nc2ccc(cc2)F)sc2c(CCCCC2)n1	EMOLS-id_334998275,MCULE-4714973335	361.434	KAHBCIGFFQFSOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086897
c1(NC(=O)CCC(=O)Nc2ccccc2F)sc2c(CCCCC2)n1	EMOLS-id_335001357,MCULE-7009126247	361.434	SMWPBINNGHSFET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086898
c1(NC(=O)CCC(=O)Nc2cccc(F)c2)sc2c(CCCCC2)n1	EMOLS-id_334987264,MCULE-9803751941	361.434	ZUMRXSFUFVXZAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086899
Cc1cccc(F)c1C(=O)N1CCc2nc(C(=O)N(C)C)sc2CC1	ZINC22_1565555059,EMOLS-id_313793843	361.434	PVLWRGNVDKRHCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086900
CC(C)(CNC(=O)c1cc2c(s1)CCCNC2=O)c1ncccc1F	ZINC22_1875311118	361.434	NOYYNVBKMOGTMB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-086901
CCOC(=O)CCCc1cc(c2-c1ccccc2)C(=O)c1cccc(c1)N	SCHEMBL9385831,PC-id_53667140	361.434	AXIJUPUDPCRJQL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086902
FCCC(=O)N1CCc2nc(sc2CC1)C(=O)NCc1ccccc1	EMOLS-id_313792314,ZINC22_1565554144	361.434	KXBHLCIWTAJBCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086903
O=C(c1c2-c(c(CCCC(=O)OCC)c1)ccccc2)c1ccc(N)cc1	PC-id_53876925	361.434	HHBQUVSOMVZBSY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086904
CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCCc2c1cc([nH]2)C=O	PC-id_87975458,SCHEMBL6327770	361.435	DBWIQXJQDSDTHY-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-086905
O=C1/C(=Cc2ccc3-c2ccccc3)/c2c(N1Cc1ccccc1)cccc2	PC-id_59301623,SCHEMBL3289840	361.435	FTDSQLIEUSEZRD-ULJHMMPZSA-N	00000010100000110110000000001010000000000000000000000000	31-01-086906
O=C1C(=Cc2ccc3-c2ccccc3)c2c(N1Cc1ccccc1)cccc2	SCHEMBL3289843,PC-id_68583039	361.435	FTDSQLIEUSEZRD-UHFFFAOYSA-N	00000010100000110110000000001010000000000000000000000000	31-01-086907
O=Cc1cc2c([nH]1)CCCCN2C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	SCHEMBL6327760	361.435	DBWIQXJQDSDTHY-HNNXBMFYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-086908
O=C(N1CCOCC1)C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111823560	361.435	NSHIJWZKHAUEJL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086909
OC(=O)CN(C1CC(C1)NC(=O)c1noc2c1CCCCC2)CC1CC1	PC-id_121898976	361.435	BMMHHCWNWIIZLJ-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-086910
s1c2c(CCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)N	PC-id_4748923	361.435	MAVGXAKPWNROPG-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-086911
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)N	PC-id_7074156	361.435	MAVGXAKPWNROPG-GHMZBOCLSA-M	00000000100011000100000000000010000000000000000000000000	31-01-086912
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)N	PC-id_7074157	361.435	MAVGXAKPWNROPG-WDEREUQCSA-M	00000000100011000100000000000010000000000000000000000000	31-01-086913
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)N	PC-id_7074158	361.435	MAVGXAKPWNROPG-MNOVXSKESA-M	00000000100011000100000000000010000000000000000000000000	31-01-086914
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)N	PC-id_7074160	361.435	MAVGXAKPWNROPG-QWRGUYRKSA-M	00000000100011000100000000000010000000000000000000000000	31-01-086915
s1c2c(CCCCC2)c(c1NC(=O)C[n+]1cc(O)ccc1)C(=O)OC	PC-id_8773422	361.435	XZTVZBAPRZWBNO-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-086916
c12-c(cc(ccc1C)C(C)C)c(cc2C=NNc1ccc(N(=O)=O)cc1)C	PC-id_2741017,MCULE-6357207679	361.437	NVEMTLPIVVKUAB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086917
c1(C(=O)Nc2cccc(c2)OCc2ccccc2)c2CCCCCc2[nH]n1	MCULE-1201135194,EMOLS-id_335126329	361.437	QHYZXZOCANXQND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086918
c1(C(=O)Nc2ccc(cc2)OCc2ccccc2)c2CCCCCc2[nH]n1	MCULE-5379775143,EMOLS-id_323254707	361.437	ZTRDUYHGRBDXJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086919
Cc1ccc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccccc1	PC-id_134805899	361.437	BMDLGMWZIHRPLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086920
Cc1ccccc1CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccccc1	PC-id_134807987	361.437	UGVDRTGTPIIICD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086921
Cc1ccc(cc1)C(=O)N1CCCn2c(C1)cc(n2)OCc1ccccc1	SCHEMBL16704500,PC-id_118065786	361.437	NAMBMXGETCVTFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086922
Cc1cccc(c1)C(=O)N1CCCn2c(C1)cc(n2)OCc1ccccc1	SCHEMBL16704504,PC-id_118065790	361.437	JCCDYYWWUJUSMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086923
Cc1cccc(c1)C(=O)N1CC(Cn2cccc2C1)OCc1ccncc1	EMOLS-id_55750687	361.437	SKEUMLAIZPIVFR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-086924
Cc1c(cc(cc1)N1CCOCC1)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478329	361.437	GVGBJLCXEOKXKS-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-086925
Cc1ccc(cc1/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)N1CCOCC1	SCHEMBL13077204	361.437	GVGBJLCXEOKXKS-XQNSMLJCSA-N	00000010100010110111100000000010000000000000000000000000	31-01-086926
Cc1cccc(C(=O)N2Cc3cccn3C[C@H](OCc3ccncc3)C2)c1	ZINC22_575405420	361.437	SKEUMLAIZPIVFR-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-086927
Cc1cccc(C(=O)N2Cc3cccn3C[C@@H](OCc3ccncc3)C2)c1	ZINC22_575405438	361.437	SKEUMLAIZPIVFR-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-086928
CC(C)c1ccc(C)c2-c(c(cc2/C=NNc2ccc(cc2)[N+](=O)[O-])C)c1	EMOLS-id_26478449	361.437	NVEMTLPIVVKUAB-QRVIBDJDSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086929
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCCN2Cc1ccccc1	SCHEMBL367029,PC-id_66667842	361.437	GNXGRZCASFOSJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086930
COc1ccc(cc1)Cn1ncc2c1N(CCCC2=O)Cc1ccccc1	SCHEMBL370796,PC-id_66669072	361.437	DMZXRIYWWRDXAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086931
[O-][N+](=O)c1ccc(N/N=C/c2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1	PC-id_5703504	361.437	NVEMTLPIVVKUAB-YDZHTSKRSA-N	00000010100000110110000000000010000000000000000000000000	31-01-086932
c12CN(CCCn1nc(CNC(=O)CCc1onc(O)c1)c2)CC(C)C	MCULE-6084459536,EMOLS-id_44431033,PC-id_70726316,ZINC22_82099621	361.439	HHQDKUJHCZBMQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086933
c12CN(CCCn1nc(CNC(=O)CCC(=O)NC)c2)C(=O)C1CCC1	ZINC22_82121195,MCULE-7089716668,EMOLS-id_44439819,PC-id_70751204	361.439	GJEHUXYKXVEHOU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-086934
c12CN(CCCn1nc(CNC(=O)[C@H](C)NC(=O)C)c2)C(=O)C1CCC1	ZINC22_82099440,PC-id_70725863,EMOLS-id_44430893,MCULE-6860953566	361.439	CXLMNRYHJNSGTF-LBPRGKRZSA-N	00001000100000000101000000000010000000000000000000000000	31-01-086935
c12CN(CCCn1nc(CNC(=O)N1CCOCC1)c2)C(=O)C1CCC1	ZINC22_82133765,MCULE-5539483918,EMOLS-id_44442871,PC-id_70760037	361.439	KNYGJGZRJZDOTB-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-086936
[C@]12(CNC[C@@H]1CN(C(=O)COC)C2)C(=O)N1CCCn2nc(C)cc2C1	ZINC22_65387250,MCULE-8080428218,EMOLS-id_32385420,PC-id_50957235	361.439	QXCURLPOBVOIHE-RDTXWAMCSA-N	00000010100000000101000000000110000000000000000000000000	31-01-086937
C1CCC(C1)(CNC(=O)c1nn2CC(CNC(=O)c2c1)O)N1CCCC1	PC-id_135106674	361.439	BDYRIRMVQKAANX-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-086938
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCNCCn12	PC-id_118759806,MCULE-3643411688,EMOLS-id_68910819	361.439	JKOQRYPERMPDLX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086939
c1(cc(on1)CCC)C(=O)N1CCCn2c(cc(n2)C(O)CN(C)C)C1	PC-id_90653256,EMOLS-id_50547589,MCULE-3048530164	361.439	KWZNDIQNFMYKET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086940
c1(CN2CCCn3nc(CCC(=O)NCCO)cc3C2)c(C)noc1C	EMOLS-id_44429719,PC-id_70722557,ZINC22_82098126,MCULE-4052863423	361.439	PRBVMGOWVVQRAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086941
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)C(C)(C)OCC)C2)n1	MCULE-4713969416,PC-id_91780045,EMOLS-id_55660015	361.439	CPQSAOQNSDFXJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086942
c1(C(=O)N2CCOCC2)cc2n(CCCN(C2)C(=O)NC2CCCC2)n1	EMOLS-id_32396030,MCULE-6202389042,PC-id_50962833,ZINC22_65403447	361.439	FPAHDKZUFWFMRA-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-086943
c1(C(=O)NC2CCc3n(c(=O)[nH]n3)CC2)cc(n(CCCOC)c1C)C	EMOLS-id_50586017,MCULE-9075238816,PC-id_91922659	361.439	FRWVVEABIGEVGN-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-086944
Cc1cc(C)n(CCCC(=O)N2CCCn3nc(cc3C2)C(O)CO)n1	EMOLS-id_50537337,PC-id_90650481,MCULE-5478795719	361.439	DCORXWGAEHIIKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086945
Cc1cc(C)n(CCCC(=O)N2CCCn3nc([C@H](O)CO)cc3C2)n1	PC-id_100058466,ZINC22_220426400	361.439	DCORXWGAEHIIKL-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086946
Cc1cc(C)n(CCCC(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)n1	ZINC22_220426315,PC-id_100058464	361.439	DCORXWGAEHIIKL-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086947
Cc1c(c(nn1C)C)CCC(=O)N1CCCn2c(cc(n2)C(CO)O)C1	PC-id_91776479,MCULE-4166444982,EMOLS-id_55649519	361.439	VGTFAUOEIDVVMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086948
Cc1nn(C)c(C)c1CCC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1	ZINC22_220135653,PC-id_100053114	361.439	VGTFAUOEIDVVMJ-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086949
Cc1nn(C)c(C)c1CCC(=O)N1CCCn2nc([C@H](O)CO)cc2C1	ZINC22_220135723,PC-id_100053117	361.439	VGTFAUOEIDVVMJ-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086950
CCCc1cc(C(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)no1	PC-id_100067528,ZINC22_221379062	361.439	KWZNDIQNFMYKET-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086951
CCCc1cc(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)no1	PC-id_100067529,ZINC22_221379113	361.439	KWZNDIQNFMYKET-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086952
CCC(c1nnc2n1CCCCC2)N1C(=O)NC(C1=O)C1CCCOC1	EMOLS-id_100749849	361.439	SPNZJLUPJMMMFH-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-086953
CCC(c1nnc2n1CCCCC2)N1C(=O)NC(C1=O)C1CCOCC1	EMOLS-id_100746144	361.439	VQIQLRUQVMUWFY-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-086954
CC(C)CNC(=O)C1CCc2nn(Cc3c(C)noc3C)c(=O)n2CC1	MCULE-4156984906,EMOLS-id_207876779	361.439	JYAYENMBFLKGRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086955
CC(Cn1nc2n(c1=O)C(CCCC2)C(=O)NCc1c(C)noc1C)C	MCULE-6166881668,EMOLS-id_207869409	361.439	WOXIHFNHDGBKJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086956
CCn1nc2n(c1=O)CCC(CC2)C(=O)N(CCc1c(C)noc1C)C	MCULE-6999269850,EMOLS-id_207876872	361.439	ZWRGHOUNBBIMOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086957
CCOC(C)(C)C(=O)N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1	PC-id_100061815,ZINC22_220610473	361.439	CPQSAOQNSDFXJP-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086958
CCOC(C)(C)C(=O)N1CCCn2nc([C@H](O)c3ccnn3C)cc2C1	PC-id_100061817,ZINC22_220610541	361.439	CPQSAOQNSDFXJP-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086959
CC(=O)N1CCN(C(=O)[C@@H](C)n2cc3c(n2)CC(C)(C)CNC3=O)CC1	ZINC22_634559518	361.439	VEBWIKDJEWTWRE-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086960
CC(=O)N1CCN(C(=O)[C@H](C)n2cc3c(n2)CC(C)(C)CNC3=O)CC1	ZINC22_634559519	361.439	VEBWIKDJEWTWRE-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086961
CN=C(C(=O)N1CCCn2c(C1)cc(c2)C(=O)NO)C=C(C(C)(C)C)N	PC-id_144264812	361.439	LSKPFAJQMKEVNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086962
COc1cnc(CN2CCCn3nc(cc3C2)C(O)CN(C)C)cc1O	PC-id_91795043,MCULE-2566365583,EMOLS-id_55703742	361.439	UWONOZJLOWAJET-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-086963
COc1cnc(CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)cc1O	PC-id_100282332,ZINC22_223625668	361.439	UWONOZJLOWAJET-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-086964
COc1c[nH]c(CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)cc1=O	ZINC22_230469463	361.439	UWONOZJLOWAJET-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-086965
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCNCC3)o1	ZINC22_299786305	361.439	JKOQRYPERMPDLX-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086966
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCNCC3)o1	ZINC22_299786309	361.439	JKOQRYPERMPDLX-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086967
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(C)o3)CCn12	MCULE-9121267835,ChEMBL-DNDi_CHEMBL35612828,PC-id_45202056,EMOLS-id_20537383	361.439	ZVBDTBRUOGUKIQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086968
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(C)o1)CC2	CoCoCo_1325347,ZINC22_20912802,CoCoCo_1325346,PC-id_29215345	361.439	ZVBDTBRUOGUKIQ-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086969
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C)o1)CC2	PC-id_29215342,ZINC22_20912798,CoCoCo_1325348,CoCoCo_1325349	361.439	ZVBDTBRUOGUKIQ-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-086970
COCC(=O)N1C[C@@H]2CNC[C@]2(C(=O)N2CCCn3nc(C)cc3C2)C1	ZINC22_209941012	361.439	QXCURLPOBVOIHE-KSSFIOAISA-N	00000010100000000101000000000110000000000000000000000000	31-01-086971
COCC(=O)NCCC1CN(Cc2c(C)noc2C)Cc2ccnn2C1	EMOLS-id_55736556	361.439	ZUNJXQBBSPBCHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086972
COCC(=O)NCC[C@H]1CN(Cc2c(C)noc2C)Cc2ccnn2C1	ZINC22_306145003	361.439	ZUNJXQBBSPBCHW-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086973
COCC(=O)NCC[C@@H]1CN(Cc2c(C)noc2C)Cc2ccnn2C1	ZINC22_306145004	361.439	ZUNJXQBBSPBCHW-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086974
n12CCC(CCc1nn(Cc1c(C)noc1C)c2=O)C(=O)N(C)C(C)C	MCULE-3217188915,EMOLS-id_207876722	361.439	FKKINIYNFMULPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-086975
O1C(=O)N(C2CCN(CC2)C(=O)CCc2nn3c(CNCCC3)c2)CC1	EMOLS-id_43123857,MCULE-4268308755,PC-id_70743088	361.439	RVISWUBAUFWMJL-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-086976
O=C(C(n1nc2c(c1)C(=O)NCC(C2)(C)C)C)N1CCN(CC1)C(=O)C	MCULE-3743198131,EMOLS-id_316378107	361.439	VEBWIKDJEWTWRE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-086977
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(C1=O)C1CCOCC1	EMOLS-id_318053824	361.439	GSWWOIDWVLWRJX-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-086978
O=C(N1CCCn2nc(cc2C1)C)C12C(CN(C1)C(=O)COC)CNC2	PC-id_75589905	361.439	QXCURLPOBVOIHE-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-086979
O=C(N1CCCn2nc(cc2C1)CNC(=O)C(NC(=O)C)C)C1CCC1	PC-id_77842803	361.439	CXLMNRYHJNSGTF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-086980
O=C(N1C[C@H]2[C@](C1)(CCC2)C(=O)O)NCCc1nnc2n1CCCCC2	PC-id_121993717	361.439	VYDQGLXRYQWGGR-SCLBCKFNSA-N	00000010100000000101000000000110000000000000000000000000	31-01-086981
O=C(N1C[C@H]2[C@](C1)(CCC2)C(=O)O)N[C@@H](c1nnc2n1CCCCC2)C	PC-id_122000918	361.439	PAJAVOWLIWOSOX-FHSNZYRGSA-N	00000010100000000101000000000110000000000000000000000000	31-01-086982
O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1nnc2n1CCCCC2	ZINC22_679541833	361.439	QCQVDEFSOGERHT-IHRRRGAJSA-N	00000010100010000101000000000110000000000000000000000000	31-01-086983
O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1nnc2n1CCCCC2	ZINC22_679541834	361.439	QCQVDEFSOGERHT-MCIONIFRSA-N	00000010100010000101000000000110000000000000000000000000	31-01-086984
O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1nnc2n1CCCCC2	ZINC22_679541835	361.439	QCQVDEFSOGERHT-MJBXVCDLSA-N	00000010100010000101000000000110000000000000000000000000	31-01-086985
O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1nnc2n1CCCCC2	ZINC22_679541836	361.439	QCQVDEFSOGERHT-RDBSUJKOSA-N	00000010100010000101000000000110000000000000000000000000	31-01-086986
c1(CN(c2ccccc2)C(=O)Nc2ccccc2)nnc2CCCCCn12	CoCoCo_2593241,EMOLS-id_9819375,PC-id_4198621,MCULE-4024283310,ZINC22_4134970	361.44	RWGRDYMWHDBVGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086987
C1CN(CCn2c1ncc2C(=O)NCc1ccccc1)Cc1ccccn1	PC-id_134808257	361.44	XXZCFVZJWDOELA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-086988
c1(C(=O)Nc2cc(c3ccccc3)c(c(C)n2)C)nnc2CCCCCn12	ZINC22_1857735796,EMOLS-id_330476107,MCULE-2391034897	361.44	BJRBZUDTZXSJGY-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-086989
c1(C(=O)NCc2cccnc2)cc2n(CCCN(Cc3ccccc3)C2)n1	ZINC22_65407440,PC-id_50965711,EMOLS-id_32401428,MCULE-1130752477	361.44	MOAUZUPPWXIHHX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-086990
c1(nnc2CCCCCn12)N(Cc1ccccc1)C(=O)Nc1ccccc1	MCULE-5433892992,PC-id_1538854,ZINC22_1468165	361.44	GQMARHKCTGICNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086991
Cc1cccnc1C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	PC-id_56711361,MCULE-3361149224,ZINC22_67871540,EMOLS-id_36442732	361.44	JIWWBDNCOYWADF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-086992
Cc1cncc(c1)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	EMOLS-id_36425896,PC-id_56703331,ZINC22_67560465,MCULE-3457233256	361.44	RNKKZFKVUWWMFH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-086993
Cc1nccc(c2ccccc2)c1C(=O)NCc1cc2CNCCCn2n1	MCULE-2024028696,ZINC22_82156946,EMOLS-id_44449529,PC-id_70779244	361.44	BWTDTFJYEROZKO-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-086994
Cn1ncc2c1CCCN(C(=O)Nc1ccccc1Cc1ccccn1)C2	MCULE-9516647481,ZINC22_885748347,EMOLS-id_316207151	361.44	YDQJXGIUCKIFOL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-086995
n12CCCNCc1cc(CCC(=O)Nc1cccc(c3cccnc3)c1)n2	PC-id_70743642,EMOLS-id_43124869,MCULE-2351435822,ZINC22_72430641	361.44	VLEVDXKZQYMWOD-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-086996
n12CCCNCc1cc(CNC(=O)Nc1ccccc1c1ccccc1)n2	ZINC22_82138362,MCULE-2846775971,EMOLS-id_44445827,PC-id_70768499	361.44	FQNLFWXBPZQKBG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-086997
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)Cc1ccncc1	ZINC22_67819033,MCULE-1428528019,PC-id_56709984,EMOLS-id_36439870	361.44	IITSLFZPMFTCBS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-086998
n1c2CCCCCn2nc1CN(c1ccccc1)C(=O)Nc1ccccc1	PC-id_16458525,CoCoCo_6600631,ZINC22_28527169,MCULE-5330812029	361.44	CGRCYQUVJWDLHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-086999
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)[C@H](N)c1ccccc1	MCULE-6519413993,ZINC22_2356164911,EMOLS-id_337817715	361.44	LSBCMPVCHSLONO-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087000
n1c(CNC(=O)c2cccc(c2)c2c(cccn2)N)c2c(CCCCC2)[nH]1	PC-id_121511200,EMOLS-id_177491461,ZINC22_426669138,MCULE-8179278227	361.44	PPFUHBOVQNOVRW-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-087001
N#CC(c1nnc2n1CCCCC2)C(=O)CCCc1c[nH]c2c1cccc2	EMOLS-id_35704070,PC-id_53509411,MCULE-7684073978	361.44	IWLJXHSWIMPCMV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-087002
N#C[C@@H](C(=O)CCCc1c[nH]c2ccccc12)c1nnc2n1CCCCC2	PC-id_93775010,ZINC22_41509876	361.44	IWLJXHSWIMPCMV-KRWDZBQOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-087003
N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)c1nnc2n1CCCCC2	ZINC22_41509869,PC-id_93775005	361.44	IWLJXHSWIMPCMV-QGZVFWFLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-087004
o1c(Cn2c(c(C=C(c3n4CCCCCc4nn3)C#N)cc2C)C)ccc1	PC-id_78650364	361.44	ROKTWGMJVCYPIS-UHFFFAOYSA-N	00000000111000000101000000000010000000000000000000000000	31-01-087005
o1c(Cn2c(c(/C=C(/c3n4CCCCCc4nn3)C#N)cc2C)C)ccc1	PC-id_8275444	361.44	ROKTWGMJVCYPIS-LDADJPATSA-N	00000000111000000101000000000010000000000000000000000000	31-01-087006
O=C(c1ccccc1c1ccncc1)NCCc1nnc2n1CCCCC2	EMOLS-id_278506160	361.44	XZPXULZKJHSVHB-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-087007
O=C(NCc1nnc2n1CCCCC2)c1ccccc1Nc1ccccc1	PC-id_47019766,MCULE-2293983940,EMOLS-id_30748415,ZINC22_48365422	361.44	ZUDJOOOYKZHTHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087008
CCn1cc(CN2CCCn3nnc(COCC(=O)N(C)C)c3C2)cn1	ZINC22_2055717962,EMOLS-id_313733595	361.442	OAWUZXNWDWDRFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087009
COCCn1c(CN2CCc3[nH][nH]c(=O)c3CC2)nnc1[C@@H]1C[C@H](N)C1	ZINC22_244574766,MCULE-5014268219,EMOLS-id_55624218	361.442	CRARUXZTILNYIR-TXEJJXNPSA-N	00001000100000000101100000000010000000000000000000000000	31-01-087010
COCCn1c(Cn2nc3CCCCCn3c2=O)nnc1[C@H]1C[C@H](N)C1	MCULE-3713377074,EMOLS-id_55701600,ZINC22_252536056	361.442	HNBRGMODZDUIAD-JOCQHMNTSA-N	00001000100000000101100000000010000000000000000000000000	31-01-087011
COCCn1c(nnc1C1CC(C1)N)CN1CCc2c(CC1)[nH][nH]c2=O	PC-id_91767603	361.442	CRARUXZTILNYIR-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-087012
COCCn1c(nnc1C1CC(C1)N)Cn1c(=O)n2CCCCCc2n1	PC-id_91794321	361.442	HNBRGMODZDUIAD-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-087013
O=C(C1CCCN(C1)C(=O)N1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102164548	361.442	MTGARBYZBDYSJF-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087014
O=C(NC1CC1)NC1CCN(C1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_99580372	361.442	NRSADLULOSOJBF-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-087015
O=C(NC1CN(C(=O)C1)C1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102166690	361.442	WIBQSZUXFWSKSL-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-087016
O=S(=O)(c1csnc1c1ccccc1)N1CCCn2c(C1)cnn2	EMOLS-id_319677468	361.442	RSDMUZVMQWHZNO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087017
O=S(=O)(N1CCCn2c(C1)cnn2)c1csc(n1)c1ccccc1	EMOLS-id_316707582	361.442	HQZQAOUMFVBSFP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087018
CCn1cc(CN2CCc3nnc(Cc4cccnc4)n3CC2)cc1C#N	MCULE-1344268956,EMOLS-id_43144350,PC-id_56904868,ZINC22_72151349	361.444	KPXADCISIQSIHQ-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-087019
c12cc(C(=O)OCC)c(=S)c(C(=O)OCC)cc1c(n(CC)c2C)C	ZINC22_218891507,MCULE-3401551707,PC-id_100029122,EMOLS-id_50607583	361.455	YLHKMHIORKCEPN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-087020
c1(c2CCCCCc2sc1NC(=O)c1ccoc1C)C(=O)OC(C)C	MCULE-1515822944,CoCoCo_683503,TIMTEC346370,PC-id_1358546,EMOLS-id_1094530,ZINC22_1200191	361.455	NYBJROPKRXWNTI-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-087021
c1(NC(=O)c2ccc(C)o2)sc2c(CCCCCC2)c1C(=O)OCC	CK1196298,MCULE-6672969866,EMOLS-id_1094732,PC-id_1370729,TIMTEC348718,ZINC22_1217466,CoCoCo_739793,ChEMBL-DNDi_CHEMBL6103110	361.455	OASHUPBMHGGNDF-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-087022
c1(NC(=O)c2ccoc2C)sc2c(CCCCC2)c1C(=O)OCCC	ZINC22_2755617,PC-id_2166791,CoCoCo_899330,MCULE-9481309211,TIMTEC171852,EMOLS-id_2441878	361.455	GLKVAVZYARMPPQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-087023
c1(NC(=O)c2ccoc2C)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC501489,MCULE-5475888971,EMOLS-id_4039282,CoCoCo_1849673,PC-id_4110640,ZINC22_2486377	361.455	VJBMQXXFTPXWFG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-087024
CCCc1c(NC(=O)C)c(c2-c1ccc(cc2)CS)OC(=O)OCC	SCHEMBL8526413	361.455	FCJOKYFRLVLIEB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-087025
s1c2CCCCCc2cc1C(=O)Nc1cc(OC)c(OC)c(OC)c1	PC-id_7913721	361.455	ALQVLBQTJJHIMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087026
s1c2c(CCCCC2)c(c1NC(=O)c1oc(cc1)C)C(=O)OCCC	PC-id_3452077	361.455	VXCRQUVBKJUVAZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-087027
s1c2c(CCCCC2)c(c1NC(=O)c1oc(cc1)C)C(=O)OC(C)C	PC-id_4674911	361.455	WHJMTOCESJRZKT-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-087028
s1c2CCCCCCc2cc1C(=O)OC(C(=O)NCc1occc1)C	PC-id_45655412	361.455	ZZQYYGGFAJELDN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-087029
s1c2CCCCCCc2cc1C(=O)OCC(=O)N(Cc1occc1)C	PC-id_55309975	361.455	QRYSAKJJWBTOEG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-087030
s1c2c(CCCCC2)c(c1Nc1sc2c(n1)ccc(F)c2)C(=O)N	PC-id_43968571	361.457	PEXGWOWOJHDXQF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087031
s1c2c(CCCCC2)c(c1Nc1sc2c(n1)c(F)ccc2)C(=O)N	PC-id_43968412	361.457	IPNCUOOXXNVPDF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087032
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCCc1cccs1	PC-id_56897186,EMOLS-id_43119127,MCULE-6390326666,ZINC22_72428407	361.459	BCYSMXBXPZYTRD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087033
c12N(CCCCc1cc(C(=O)Nc1ccc(nc1)OC)s2)CCOC	MCULE-7609653020,EMOLS-id_97030583	361.459	WMXHOGIWCYEXNL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-087034
c1(cn2c(C(=O)N(CCC2)CC)c1)S(=O)(=O)NCc1ccc(cc1)C	EMOLS-id_33087404,PC-id_53182956,MCULE-5212002175	361.459	KMPJQEDVQVXMIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087035
c1(cn2c(C(=O)N(CCC2)CC)c1)S(=O)(=O)NCc1cccc(C)c1	PC-id_53182957,MCULE-8647182264,EMOLS-id_33087426	361.459	UGHZIEXONANIKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087036
c1(NC(=O)c2c(CC)noc2C)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_13329692,PC-id_17173569,TIMTEC75859,MCULE-5607986481,CoCoCo_1067298,ZINC22_13327690	361.459	BIHFGAVMLZVUSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087037
c1(NC(=O)Nc2ccc(cc2OC)OC)sc2c(CCCCCC2)n1	EMOLS-id_30172561,PC-id_46350010,MCULE-8796025392	361.459	SSWYBGINDLUQGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087038
Cc1cccc(COC2CN(Cc3cccn3C2)S(=O)(=O)C2CC2)n1	EMOLS-id_50008330	361.459	GQHPAIFMJFEVFV-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-087039
Cc1cccc(CO[C@@H]2CN(S(=O)(=O)C3CC3)Cc3cccn3C2)n1	ZINC22_247862231	361.459	GQHPAIFMJFEVFV-KRWDZBQOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-087040
Cc1cccc(CO[C@H]2CN(S(=O)(=O)C3CC3)Cc3cccn3C2)n1	ZINC22_247862233	361.459	GQHPAIFMJFEVFV-QGZVFWFLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-087041
Cc1ccc(o1)C1COCCN1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111017567	361.459	JEEGEUARNWVHIX-UHFFFAOYSA-N	00000000101010000101100000000010000000000000000000000000	31-01-087042
Cc1cc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCCC3)no1	ZINC22_8735037,MCULE-8755405936,CoCoCo_4339588,EMOLS-id_13395173,PC-id_16267463	361.459	KVTCILHBZIMLGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087043
CCc1noc(CC)c1CNC(=O)CN1CCCc2sccc2C1=O	MCULE-1281753843,EMOLS-id_44582990,ZINC22_83817448,PC-id_71856693	361.459	HQIBKLOELWQTMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087044
CC(C)N1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(C)cc1	EMOLS-id_33087716,MCULE-5889347451,PC-id_53182965	361.459	FRHKNOHVOIFDKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087045
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cccc(C)c1C	EMOLS-id_33087268,MCULE-3306173983,PC-id_53182922	361.459	VPGNFTHNVILCTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087046
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cc(C)ccc1C	MCULE-3951773016,PC-id_53182898,EMOLS-id_33087152	361.459	QKPHJLRSCWNZKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087047
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(C)cc1C	PC-id_53182928,MCULE-1867306503,EMOLS-id_33087298	361.459	FBKFEKZYRJUCLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087048
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cccc(CC)c1	EMOLS-id_33087192,MCULE-5152971782,PC-id_53182907	361.459	LCYPGVIQJWTZFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087049
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(C)c(C)c1	EMOLS-id_33087306,PC-id_53182930,MCULE-7533224334	361.459	CJULFNLBNQSGHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087050
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cc(C)cc(C)c1	MCULE-7301004122,PC-id_53182904,EMOLS-id_33087178	361.459	QDWASVUIIJYGDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087051
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(CC)cc1	PC-id_53182960,MCULE-3777113145,EMOLS-id_33087462	361.459	VCFIRPNJODJTCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087052
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)N(C)c1ccc(C)cc1	EMOLS-id_33087342,PC-id_53182940,MCULE-9662661649	361.459	RYNCHJPSWYFRJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087053
CCN(c1ccccc1)S(=O)(=O)c1cc2C(=O)N(CC)CCCn2c1	MCULE-5881029878,EMOLS-id_33087270,PC-id_53182923	361.459	HCXWGUWWEXOBPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087054
CCN(c1cccc(C)c1)S(=O)(=O)c1cc2C(=O)N(C)CCCn2c1	EMOLS-id_48455503,PC-id_53182868,MCULE-6415265708	361.459	OPCXGSKFMNGOOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087055
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccc2c(c1)CC(O2)(C)C	EMOLS-id_101948667	361.459	PGPVIEWEYBPIQQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-087056
CN(c1ccc(cc1)S(=NC(=O)c1noc2c1CCCCC2)(=O)C)C	EMOLS-id_279034119	361.459	MLTSHAZTRJDUBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087057
CN(Cc1ccccc1)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317416028,MCULE-7133786594	361.459	RIIRGTPRGAIAAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087058
CNC(=O)CC1CN(Cc2cccn2C1)S(=O)(=O)c1cccc(C)c1	EMOLS-id_313811745	361.459	YTOUKTRURCMBDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087059
CNC(=O)C[C@@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2cccn2C1	ZINC22_585099247	361.459	YTOUKTRURCMBDQ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087060
CNC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(C)c2)Cc2cccn2C1	ZINC22_585099248	361.459	YTOUKTRURCMBDQ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087061
COc1ccc(c(c1)NC(=O)Nc1sc2c(n1)CCCCCC2)OC	CoCoCo_2552428,PC-id_20966646	361.459	PFYJRNCUOCTGER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087062
COc1ccc(c(c1)OC)C(=O)CCN1CCc2c(CC1)nc(s2)N	SCHEMBL7294533,PC-id_19985982	361.459	DULYTHBOZJMAQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087063
COc1ccc(cc1OC)C(=O)C(Sc1nnc2n1CCCCC2)C	EMOLS-id_32132971,PC-id_51128676,MCULE-9527901730	361.459	ODELFTAQEZHEST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087064
COc1ccc(C(=O)[C@H](C)Sc2nnc3n2CCCCC3)cc1OC	ZINC22_58296200,PC-id_52521315	361.459	ODELFTAQEZHEST-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087065
COc1ccc(C(=O)[C@@H](C)Sc2nnc3n2CCCCC3)cc1OC	ZINC22_58296202,PC-id_52521316	361.459	ODELFTAQEZHEST-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087066
CSc1ccc(CC(=O)N2CCCn3nc(cc3C2)C(O)CO)cc1	PC-id_90649849,EMOLS-id_50535081,MCULE-6704761710	361.459	BZMIFFGTNBVGJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087067
CSc1ccc(CC(=O)N2CCCn3nc([C@H](O)CO)cc3C2)cc1	PC-id_100050218,ZINC22_219964909	361.459	BZMIFFGTNBVGJY-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087068
CSc1ccc(CC(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)cc1	ZINC22_219964835,PC-id_100050216	361.459	BZMIFFGTNBVGJY-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087069
N#CC1CCN(CC1)C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	EMOLS-id_110264118	361.459	LYLQMEPWSMBVNG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-087070
O=c1[nH]nc(o1)C1CCCN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110356525	361.459	ZXRPLDMHYOCPNT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-087071
O=C(c1cc(cc(c1C)C)S(=O)(=O)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101674724	361.459	UUHWQTCOJBCDPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087072
O=C(C1CC(=O)N(C1)C1CC1)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_48211354,MCULE-2404951300,PC-id_75402700	361.459	MKKZYKWLEABHCR-UHFFFAOYSA-N	00100010100000000100100000000010000000000000000000000000	31-01-087073
O=C(c1cnc2n1CCCCC2)NC(c1ccccc1)CS(=O)(=O)C	EMOLS-id_318350947	361.459	HSAWBYICVCIJIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087074
O=C(c1sc2c(c1)CCCCCC2)NC1(CCOCC1)c1ncon1	EMOLS-id_111061782	361.459	PIFKZTJDTQDDTK-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-087075
O=C(c1sc2c(c1)CCCCCC2)Nc1cnn(c1)C(C(=O)O)(C)C	PC-id_120696845,MCULE-6725729860,EMOLS-id_57910892	361.459	MKXKBQITBQSQOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087076
O=C(CCc1c(C)onc1C)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-4556998733,PC-id_24586083,EMOLS-id_48954163,CoCoCo_3673719	361.459	GCWZCWQYVAKIGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087077
O=C(CCS(=O)(=O)c1ccccc1)NCc1n[nH]c2c1CCCCC2	ZINC22_223452216,EMOLS-id_55698441,MCULE-6284168131,PC-id_91793270	361.459	WQOSNVXEGGBUAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087078
O=C(CN1C(=O)C2C(C1=O)CCCC2)Nc1nc2c(s1)CCCCC2	MCULE-5216974996,EMOLS-id_30717919,PC-id_47018012	361.459	WWIHPAXMJJKRKJ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-087079
O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1nc2c(s1)CCCCC2	ZINC22_102681693	361.459	WWIHPAXMJJKRKJ-TXEJJXNPSA-N	00000010100010000101000000000110000000000000000000000000	31-01-087080
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc2c(s1)CCCCC2	ZINC22_102681694,PC-id_98342696	361.459	WWIHPAXMJJKRKJ-RYUDHWBXSA-N	00000010100010000101000000000110000000000000000000000000	31-01-087081
O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc2c(s1)CCCCC2	ZINC22_22375325,PC-id_51616924	361.459	WWIHPAXMJJKRKJ-VXGBXAGGSA-N	00000010100010000101000000000110000000000000000000000000	31-01-087082
O=C(N1CCOC(C1)c1ccco1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890078	361.459	SJSIFPFWAZUPHQ-UHFFFAOYSA-N	00000000101010000101100000000010000000000000000000000000	31-01-087083
OC(=Nc1nc2c(s1)CCCCCC2)c1coc(C2CCOCC2)n1	MCULE-4726332603,ZINC22_328788020,EMOLS-id_97856608	361.459	JUXNGCYEUOMGCN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-087084
O=C(Nc1sc2c(n1)CCCCCC2)CCn1c(C)cc(cc1=O)O	EMOLS-id_100991011	361.459	HIPJJOQFUQRMHJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087085
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(onc1C)C(C)C	PC-id_18269051	361.459	JBIXTOGCFSOFMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087086
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(n(nc1C)C)C	PC-id_8216224	361.459	GEEJJXPOLSLFTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087087
s1c2c(CCCCC2)c(c1NC(=O)c1n(nc(c1)C)CC)C(=O)OC	PC-id_49695868	361.459	DMZHRQNKJBNEEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087088
s1c2c(CCCCC2)c(c1NC(=O)c1nn(c(c1)C)CC)C(=O)OC	PC-id_49697446	361.459	HYDHCYMNAICVDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087089
s1c2c(CCCCC2)c(c1NC(=O)c1nn(c(c1)C)C)C(=O)OCC	PC-id_16952175	361.459	YPORNWFZKMRZFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087090
s1c2c(CCCCC2)c(c1NC(=O)c1n(ncc1)CC)C(=O)OCC	PC-id_49695185	361.459	KKIDTZMWUXZHAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087091
s1c2c(CCCCC2)c(c1NC(=O)c1nn(cc1)CC)C(=O)OCC	PC-id_49696778	361.459	WDXHXAGQYZVJTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087092
s1c2c(CCCCC2)c(c1NC(=O)CCc1c(onc1C)C)C(=O)N	PC-id_52453376	361.459	ISJSYRQCXUMWQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087093
s1c2c(CCCCC2)c(c1NC(=O)CN1C(CCC1)C(=O)OC)C#N	PC-id_60312658	361.459	AWTOLZOKPBPECP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-087094
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1c(onc1C)C	PC-id_25443988	361.459	LMHVIOGYKHTTHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087095
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1n(nc(c1)C)C	PC-id_55468809	361.459	KYRAWRGMLFVISZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087096
CC/C=C(C(=N/C)CC)/N/C/1=c/2\ncn(c2=NCCC(CNC=N1)F)C	SCHEMBL20274546	361.46	BLCVOJZYFVJAGW-NUDWBPBJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-087097
CC/C=C(C(=NC)CC)/NC1=NC=NCC(CCNc2c1ncn2C)F	PC-id_137285056	361.46	RFDSLHMABPEHMD-JLWNDFEASA-N	00000000100000000111000000000010000000000000000000000000	31-01-087098
c12CN(CCCn1nc(CNC(=O)c1ccc(C)s1)c2)C(=O)N(C)C	ZINC22_82126648,PC-id_70756922,EMOLS-id_44441825,MCULE-4414460471	361.462	IIHLFCSJSREJAZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087099
c12CN(CCCn1nc(CNC(=O)c1sccc1C)c2)C(=O)N(C)C	ZINC22_91327017,EMOLS-id_46034107,MCULE-2122055352,PC-id_72850095	361.462	YGTPAZOCJJUUSN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087100
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Cc1nsc(n1)N1CCCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111424371	361.462	DPIBRXQQNJHKHX-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-087108
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CCNC(=O)c1sc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)C	MCULE-4017417641,EMOLS-id_320295522	361.462	AFUQRUWSSBGODY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087110
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CC(=O)N[C@H](CC(=O)NCc1nnc2n1CCCCC2)c1cccs1	PC-id_51931115,ZINC22_40043356	361.462	SULOLNCRABKIRM-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087112
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CN(Cc1nnc2n1CCOCC2)C(=O)N[C@H]1CCCc2sccc12	ZINC22_1615548086	361.462	MTLACOKDERLRFP-ZDUSSCGKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-087119
CSCC[C@H](O)C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_299762038	361.462	ZYLLYRDSFXBPEB-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087120
CSCC[C@@H](O)C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_299762041	361.462	ZYLLYRDSFXBPEB-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087121
CSCCC(O)C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	PC-id_118765958,EMOLS-id_68881013,MCULE-5655845483	361.462	ZYLLYRDSFXBPEB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087122
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c12CN(CCCn1nc(CNc1ccnc(SC)n1)c2)C(=O)N(C)C	MCULE-9702023221,PC-id_70758175,EMOLS-id_44442259,ZINC22_82127483	361.465	FNQWVRVTGVDINK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-087136
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Cc1sc2c(n1)CCCC2N(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102163270	361.465	XPPCBPNJOQJJEV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-087138
CCC1CCc2c(C1)sc(n2)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102008637	361.465	QUMWPWNXVPDGCD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-087139
CCc1nsc(n1)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320199130,MCULE-1304414131	361.465	XOQQHBBXTPNLMT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-087140
CSc1ncnc(c1)NC(=O)NC(c1nnc2n1CCCCC2)CC	EMOLS-id_278145567	361.465	SFSBGVBLWHZGSC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-087141
CSc1ncnc(c1)NC(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_278145952	361.465	YZKDTLDUTWTZBB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-087142
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FC(CNc1nc2c(s1)CCN(CC2)CCC1CCCCC1)(F)F	PC-id_145451410	361.469	UHJIIEMQBFLCRS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087149
Cn1ncc2c1CC(C)(C)CN(C(=O)CSCc1ccc(F)cc1)C2	EMOLS-id_316875757,MCULE-3978194399,PC-id_136552869,ZINC22_596004101	361.477	AQEQCXQRUFQWML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087150
c1(c2CCCCCc2on1)C(=O)N(CCCC)C1CCN(CC1)C(=O)C	MCULE-9557016913,PC-id_20923857,CoCoCo_2401404,EMOLS-id_16234811	361.478	WKHGFQAJDSPYRI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087151
c1(C(=O)NCC2CCC(CC2)C(=O)OC(C)C)c2CCCCCc2[nH]n1	MCULE-3302766756,EMOLS-id_335140658	361.478	GMIKCJUHZNZKBP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087152
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OC1CCCCC1N1CCC(CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101053369	361.478	QVIJUUNANCBSPU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-087156
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O=C(c1noc2c1CCCCC2)NCC1(CCOCC1)N1CCCCC1	EMOLS-id_101030824	361.478	HSLBIDKUZXUDGN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-087163
O=C(c1noc2c1CCCCC2)NC(C(=O)NCC1CCCCC1)(C)C	EMOLS-id_101050315	361.478	YOMZXMKLTLXPAY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087164
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CN=C(NC1CN(CC1C)C(C)C)NCCc1nnc2n1CCCCC2	PC-id_109698399	361.528	IFYBQKLOXOPQQB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087445
CN=C(NCc1nnc2n1CCCCC2)NCCCN1CCCCC1C	PC-id_111370257	361.528	RGZMYSMBOLQPNS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087446
CN=C(NCc1nnc2n1CCCCC2)NCCCN1CCC(CC1)C	PC-id_111386758	361.528	HRXWADQSRYPUTN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087447
CN=C(NCc1nnc2n1CCCCC2)NCCCN1CCCCCC1	PC-id_111324850	361.528	ZEEJNMVIISMBMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087448
CN=C(NCc1nnc2n1CCCCC2)NCCN1CCCCC1CC	PC-id_111567805	361.528	TWKMCRPMANGSMF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087449
CN=C(NCC(N1CCCCC1)(C)C)NCc1nnc2n1CCCCC2	PC-id_111320596	361.528	PLDNEROCRXJCIL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087450
CN=C(NCCN1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111417051	361.528	SIOYVVZOBFYGNI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087451
s1c2c(CCCCC2)c(c1NC(=O)CCN(C(C(C)(C)C)C)C)C#N	PC-id_46594740	361.545	ZKMCDFDCSGIXKA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-087454
s1c2CCCCCc2c(c1NC(=O)CCN(C(CC(C)C)C)C)C#N	PC-id_55590758	361.545	DGQPJKSXARYOJM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-087455
s1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c1CCCCCC2	PC-id_52726233	361.565	MFZGCBOPDYTZCV-UHFFFAOYSA-O	00000000100010000100100000000010000000000000000000000000	31-01-087456
s1c2CCCCCCCCCCc2c(c1NC(=S)NCC=C)C#N	PC-id_23938985	361.568	NKZQOUJREMLGIX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-087457
c1(cc2c(CCCCCC2)s1)C(=O)NC1CCC(CC1)C(C)(C)CC	TIMTEC483622,EMOLS-id_4039386,MCULE-6001515440,ZINC22_6396753,PC-id_17371705	361.584	UPBLEIIEFGOUMG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-087458
CCC([C@@H]1CC[C@@H](CC1)NC(=O)c1sc2c(c1)CCCCCC2)(C)C	CoCoCo_6805781	361.584	UPBLEIIEFGOUMG-HDICACEKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-087459
CCC([C@@H]1CC[C@H](CC1)NC(=O)c1sc2c(c1)CCCCCC2)(C)C	CoCoCo_6805782	361.584	UPBLEIIEFGOUMG-IYARVYRRSA-N	00000000100010000100000000000010000000000000000000000000	31-01-087460
Brc1c(scc1)C(Cl)c1sc2c(CCCCC2)c1	PC-id_80535748	361.748	IWHYCZDQQFQGFC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-087461
Brc1sc(C(Cl)c2sc3c(CCCCC3)c2)cc1	PC-id_55199687	361.748	ZYKFIZSDJFHIGP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-087462
BrC(c1sc2c(CCCCC2)c1)c1sccc1Cl	PC-id_80531621	361.748	QDCBKRZZTSTIOZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-087463
BrC(c1sc2c(CCCCC2)c1)c1sc(Cl)cc1	PC-id_55197439	361.748	AGJUGBMPUBNSFZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-087464
Clc1n(C)nc(c1NC(=O)c1cnc2n1CCCCC2)C(F)(F)F	EMOLS-id_278227478	361.75	LKOROAICIUGTDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087465
Clc1ccc(OCC(=O)N2CCc3nn(CC#N)c(=O)n3CC2)cc1	PC-id_91910691,MCULE-8804101013,EMOLS-id_50585757	361.783	OPQDZQXNBIFLFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087466
ClC/C=CC(=C/C)C1CNc2n(C(C1)C(F)(F)F)ncc2C(=O)C	PC-id_142866498	361.79	VRVNFBXRICWDQF-NEPXUXLISA-N	00000000100000000101000000000010000000000000000000000000	31-01-087467
Clc1ccc(c(c1S(=O)(=O)N1CCCc2c(C1)cnn2C)F)F	EMOLS-id_101950953	361.795	ZFOWLJIDASVDPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087468
Clc1cc(OC2CN(CCc3sccc23)C)ccc1C(F)(F)F	PC-id_68411816	361.81	XGBNEEFFQBABMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087469
Clc1c(c(OC2CN(CCc3sccc23)C)ccc1)C(F)(F)F	PC-id_68413205,SCHEMBL2844140	361.81	YMJPCCLSBACKJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087470
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(c(Cl)c1)C	MCULE-1747664928,ZINC22_72431038,PC-id_56898965,EMOLS-id_43126469	361.823	IUBFURVWHYENHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087471
Clc1ccc(CC(=O)N2CCCn3nc(cc3C2)CCC(=O)O)cc1	SCHEMBL16100239,PC-id_56882323	361.823	JTVWQGHUDLSFQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087472
c12CN(CCCn1nc(CNC(=O)Nc1cccc(Cl)c1)c2)C(=O)C	ZINC22_82106555,PC-id_70729155,MCULE-5931582965,EMOLS-id_44432027	361.826	AMHVMLHUVGJNEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087473
CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cccc(Cl)n1)CCC2	EMOLS-id_313779173,ZINC22_2055772249	361.826	NBMNHYXEEAEXIO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087474
CCNC(=O)c1cc(Cl)ccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_257965555	361.826	IMKZXBLTIJJWFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087475
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)C(=O)N(C)C)Cl	EMOLS-id_316473741	361.826	FBZQNWIJXJKRRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087476
Clc1ccc2c(c1)cc(o2)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_4074864,CoCoCo_4074865	361.846	MZZNQFSJDVZNPH-JLHYYAGUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087477
Clc1ccc2c(c1)cc(o2)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_4074866,CoCoCo_4074863	361.846	MZZNQFSJDVZNPH-RAXLEYEMSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087478
Clc1ncccc1OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_60324440	361.846	MZXWSGGMDUONLZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-087479
O=C(CSc1nnc2n1CCCCC2)c1cc2cc(Cl)ccc2o1	MCULE-7935736632,EMOLS-id_13516336,PC-id_17448950,ZINC22_14125240,CoCoCo_4074862	361.846	OVJNKJJABNSBCZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087480
CCc1nc2c(s1)CCN(CC2)C(=O)c1nn2c(c1)ncc(c2)Cl	PC-id_145644035	361.849	QGNVRTUBACOYIN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087481
Clc1ccc2c(c1)nc(s2)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319154791	361.849	ZNXXKGSWRVKYPK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087482
Clc1cc(c2nc(on2)CSc2n3CCCCCc3nn2)ccc1	PC-id_17400943	361.849	WNZWCFPWGRECDP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087483
Clc1ccc(c2nnc(CSc3nnc4n3CCCCC4)o2)cc1	ZINC22_6097122,CoCoCo_3081419,MCULE-9064726372,PC-id_7876690,EMOLS-id_3660027	361.849	KNABQARAARCMLI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087484
Clc1ccc(c2noc(CSc3nnc4n3CCCCC4)n2)cc1	MCULE-3966482514,EMOLS-id_3661713,ZINC22_7426227,PC-id_8521413,CoCoCo_3892248	361.849	GUTPBQGABGOXDT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087485
Clc1ccccc1c1noc(CSc2nnc3n2CCCCC3)n1	CoCoCo_4013247,PC-id_8211647,ZINC22_7081560,MCULE-9565734682,EMOLS-id_11977591	361.849	CVQIYTBYDAETFM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087486
Clc1cc(NC(=O)CSc2n3CCCCCc3nn2)ccc1C#N	PC-id_7876808	361.849	MIJLCGYQJFRXOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087487
Clc1cc(NC(=O)CSc2n3CCCCCc3nn2)c(cc1)C#N	PC-id_7877391	361.849	VABLJLUEKVBDDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087488
O=C(C1CCn2c(CC1)nnc2)Nc1sc2c(n1)c(C)ccc2Cl	MCULE-6206073179,EMOLS-id_319910855	361.849	WUIPGLLJEUTIHE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087489
CCCCOC(=O)c1cc2c(o1)CCN(CC2)Cc1ccccc1Cl	PC-id_20481334,SCHEMBL11185971	361.862	MEJDHHKJRGEQEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087490
CC(C)CCN1CCc2c(CC1)oc(n2)C(=O)Nc1ccc(cc1)Cl	PC-id_134808962	361.866	OENSTWXMFCOAHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087491
COCCNC(=O)c1n[nH]c2c1CCCC[C@H]2Cc1cccc(c1)Cl	PC-id_145479844	361.866	XCMVRZHTQRPLSB-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087492
OCCNC(=O)c1n[nH]c2c1CCCCC[C@@H]2Cc1cccc(c1)Cl	PC-id_143764429	361.866	MUTCSBZPWSETEV-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087493
Clc1ccc(cc1)C(C(=O)NCc1nnc2n1CCCCC2)N(C)C	SYN-22948064,EMOLS-id_35985532,MCULE-7573388163	361.869	BRVNUKJMNWKVGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087494
Clc1cccc(c1N1CCOCC1)NCc1nnc2n1CCCCC2	EMOLS-id_318209152	361.869	BNLZUISQXCLVSL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-087495
Clc1cc(CN(C(=O)NCCc2n3CCCCCc3nn2)C)ccc1	PC-id_52220594	361.869	ZIYTUZFWXXVJGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087496
Clc1cc(N(Cc2n3CCCCCc3nn2)C(=O)NCC)c(cc1)C	PC-id_7566034	361.869	XWJVSHTZEXPXAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087497
Clc1c(c(N(Cc2n3CCCCCc3nn2)C(=O)NCC)ccc1)C	PC-id_7566121	361.869	KQXVKMFILBBGGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087498
Clc1c(CN(C(=O)NCCc2n3CCCCCc3nn2)C)cccc1	PC-id_52220595	361.869	TZLBAAOFIGIGRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087499
CN(C)[C@H](C(=O)NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1	PC-id_95858455,ZINC22_72399259	361.869	BRVNUKJMNWKVGR-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087500
CN(C)[C@@H](C(=O)NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1	PC-id_95858456,ZINC22_72399260	361.869	BRVNUKJMNWKVGR-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087501
O=c1n(CN2CCN(c3cccc(Cl)c3)CC2)nc2n1CCCCC2	ZINC22_57411356,CoCoCo_4479059,MCULE-8027105587,CoCoCo_4479058,EMOLS-id_13542016,PC-id_17471022	361.869	UIUWLQLZUZTOSN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-087502
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccc(nc1)Cl	PC-id_109782602	361.872	CEWHPWXFBAAWPZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087503
c1(C(=O)c2ccc(C)cc2)c2CCCCCc2sc1NC(=O)CCl	PC-id_1432003,EMOLS-id_6580011,ASN-05340635,MCULE-1649287211	361.886	GUNGEGHXDJRGKS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087504
CCn1c(C)nc2=CCC(=CC=c12)NS(=O)c1cccc(c1C)Cl	PC-id_142887494	361.889	WHYXXYTZDZAYNT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-087505
Clc1ccc(cc1)/C=C/CN1CCc2c(CC1)nc(s2)NC(=O)C	PC-id_19985954,SCHEMBL7286175	361.889	TWGBXYNZOIWAOG-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087506
Clc1ccc(C=CCN2CCc3sc(nc3CC2)NC(=O)C)cc1	PC-id_54337104	361.889	TWGBXYNZOIWAOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087507
Clc1c(C[NH2+][C@H](c2nnc3n2CCCCC3)C)sc2c1cccc2	GD-id_ZINC43926409	361.912	CHQRTBRVGHMAOP-LBPRGKRZSA-O	00000000100000100101000001000010000000000000000000000000	31-01-087508
Clc1c2CCN(CCc2sc1C(=O)C(C)(C)C)Cc1ccccc1	PC-id_66934181,SCHEMBL1181562	361.929	FAKUPEDCGJTYCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087509
Clc1c(c(NC(=O)c2sc3CCCCCc3c2)c(CC)cc1)CC	PC-id_7920624	361.929	GXMPJXKBXGIYJF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087510
CC1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682092	362.085	SHXDCVWZOAJLQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087511
CC1=CC(=CC(=C1)Cl)COC(=O)N2CCCN3C=C(C=C3C2)C(=O)O	PC-id_154403248	362.103	HAYFFDHGNXIUHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087512
CCNS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2CCCC3=C(C2)C=CO3	EMOLS-id_317295573,PC-id_154758249,MCULE-7922204984	362.13	XKMQMYXSFOLISC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087513
Brc1ccc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2)cc1	PC-id_20483889,SCHEMBL11198932	362.218	XTAQTCBOMRFBFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087514
Brc1cc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2)ccc1	SCHEMBL11195471,PC-id_20483830	362.218	ZEDYLRAQRYBQMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087515
COc1ccc(cc1)CN1CC(=C)c2cc(nn2CC1=O)Br	SCHEMBL20517122,PC-id_135342807	362.221	XPDSYXUHZSRYJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087516
Brc1ccc2c(c1)nc(o2)NCc1nnc2n1CCCCC2	EMOLS-id_316654338	362.224	LCYGBMRLODVCSF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087517
O=S1(=O)CCc2nnc(COc3ccc(Cl)cc3Cl)n2CC1	EMOLS-id_313165889,MCULE-2046652977,ZINC22_630950717	362.232	FMMHFXQSXHFYRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087518
Clc1cc(ccc1Cl)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026449	362.235	NGQFBNXMJADIBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087519
Clc1cccc(c1Cl)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026494	362.235	BMARKHOPJYVGKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087520
Clc1ccc(c(c1)Cl)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028577	362.235	KBJQXBNSOYLUOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087521
Clc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_102026443	362.235	UZOTXLUFYJAWRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087522
Clc1cccc(c1S(=O)(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_102026485	362.235	ZKPZDDCUBJSNEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087523
Clc1cc(Cl)cc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026545	362.235	KZKSWYDYZXURJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087524
CC1=C(SC2=C1C(=O)NCCC2)C(C)C3CCN(CC3)CC(C)(C)C	PC-id_153715157	362.239	LBOPVDUEHPLIRR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-087525
CCCN(C)CC1(CCC1)CNC(=O)C2=CC3=C(S2)CCCCCC3	PC-id_160821040	362.239	NFSFSPJBFOZNFM-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-087526
ClC1=Cc2[nH]c(nc2C=CC1)C(NC(=O)c1ccc(c(c1)Cl)C)C	PC-id_142911757	362.253	GDVSVUAWPQRSSC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-087527
CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(Br)cc1	ZINC22_573602839	362.261	VKEGKEZONQRTGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087528
CC(C)(C(=O)N1CCCc2occc2C1)c1cccc(Br)c1	ZINC22_579881619	362.261	WNMAAJSHHCSVSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087529
Brc1ccc(s1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99299404	362.263	NBSYKVLTGOXIAC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-087530
Brc1ccsc1S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99301810	362.263	SJBKFLVRRQKDGR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-087531
Brc1c(cc(NC(=O)Cn2nc3CCCCCc3c2)cc1)C	EMOLS-id_16087249,PC-id_20892455,CoCoCo_2192281	362.264	NARRPOZFRKXLCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087532
c1(C(=O)Nc2cc(C)c(cc2Br)C)c2CCCCCc2[nH]n1	MCULE-6665274696,EMOLS-id_335088461	362.264	LXYUBSQWULKHOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087533
c1(C(=O)Nc2ccc(c(C)c2C)Br)c2CCCCCc2[nH]n1	MCULE-3255262785,EMOLS-id_335103560	362.264	MHNXAKZCVVKCLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087534
c1(C(=O)Nc2c(C)cc(c(C)c2)Br)c2CCCCCc2[nH]n1	EMOLS-id_335120450,MCULE-2648349314	362.264	NYOKPIHGFOCEFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087535
FC(F)(F)C(=O)c1c2-c(c(c1)C(=O)C(F)(F)F)c(cc(cc2C)C)C	PC-id_86252811	362.266	ZTMDONHVOQSFRH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-087536
Brc1cccc(c1)C1CC(C1)NC1CCn2c(CC1)nnn2	EMOLS-id_102000582	362.268	AWQFYFXLJKWUIO-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-087537
Brc1ccc(cc1)C1CC(C1)NC1CCn2c(CC1)nnn2	EMOLS-id_102000588	362.268	ALQBTHYLYNCCIE-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-087538
CC[C@]1(CCCC2=CN=NN2CCCC[C@@](CCC1=O)(C)C(=O)CN)C	PC-id_162147866	362.268	ZKUOCQXIHCDHFK-VQTJNVASSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087539
CC[C@]1(CCCCN2C=C(CCC[C@@](CCC1=O)(C)C(=O)CN)N=N2)C	PC-id_161131252	362.268	UMFHWNGDGUSJJL-VQTJNVASSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087540
CC[C@]1(CCCCN2C(=CN=N2)CCC[C@@](CCC1=O)(C)C(=O)CN)C	PC-id_152980737	362.268	UUHZPEMQANBOGW-VQTJNVASSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087541
O1C[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)n2c1nc(c2C#N)C#N	PC-id_21582237	362.294	DBEAOWSJTDZBHG-MGPQQGTHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087542
O1CC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)n2c1nc(c2C#N)C#N	PC-id_73805379	362.294	DBEAOWSJTDZBHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087543
Clc1cc(c(s1)Cl)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3854870,CoCoCo_3854873	362.298	CEJIDLIODFRDFK-CLFYSBASSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087544
Clc1cc(c(s1)Cl)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3854872,CoCoCo_3854871	362.298	CEJIDLIODFRDFK-VQHVLOKHSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087545
O=C(CSc1nnc2n1CCCCC2)c1cc(Cl)sc1Cl	CoCoCo_3854869,PC-id_17512209,ZINC22_12876361,MCULE-1714652670,EMOLS-id_16711733	362.298	RMJKUOGAVDHXIY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087546
FC(c1cc(CN2CCCn3c(C2)ccc3)cc(c1)C(F)(F)F)(F)F	PC-id_143775172	362.313	KHWCURKFJOZLNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087547
FC(Oc1ccccc1S(=O)(=O)N1CCCn2c(C1)cnn2)(F)F	EMOLS-id_319916505,MCULE-2141120414	362.328	CXDMCMYSXUIVJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087548
Oc1ccc(cc1S(=O)(=O)N1CCCn2c(C1)cnn2)C(F)(F)F	EMOLS-id_319201192	362.328	OJTKJTGEKJOION-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087549
O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCCn2nncc2C1	ZINC22_885554106,MCULE-1118427644,EMOLS-id_324065140,PC-id_146109004	362.328	DSTMYFCJVBRDQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087550
COC(=O)Oc1c(N)c(c2-c1c(C)cc(cc2)C(=O)NC)OC(=O)OC	PC-id_17776164,SCHEMBL8526483	362.334	WJXAAXQKOCQTTG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-087551
OCCON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O)C	PC-id_141055238	362.334	YIPHGASKZHHIKQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-087552
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(cccc1)C#N	PC-id_19523745	362.349	RLYFMAUHVOKJHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087553
O=C(C1CCn2c(CC1)nnc2)NCC#Cc1cccc(c1)C(F)(F)F	EMOLS-id_319630648	362.349	VGHQNIUBOXKTEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087554
O=C(C1CCn2c(CC1)nnc2)NCC#Cc1ccc(cc1)C(F)(F)F	EMOLS-id_320267847,MCULE-5482178541	362.349	KYFRPAXUXGKSCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087555
O=C(N1CC(OC(C1)(C)C)C(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102161263	362.351	BCDRZDAVJZWINX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087556
c1(C(=O)O)sc(c2OCCOCCOCCOCCOc12)C(=O)O	ZINC22_196479209,MCULE-7897543495,PC-id_14340378	362.352	SOQZVVZPRLATHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087557
COc1ccc(cc1F)C(C(=O)O)NC(=O)c1noc2c1CCCCC2	PC-id_121964262,MCULE-2758008735,EMOLS-id_72637431	362.352	LMAPVNOMMQRTPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087558
Fc1ccc(cc1)OC(C(=O)O)CNC(=O)c1noc2c1CCCCC2	PC-id_120533488,EMOLS-id_72346650,MCULE-3212077272	362.352	WCVGXUZKLZLWSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087559
FC(F)(F)c1cccc(c2cn(Cc3nnc4n3CCCCC4)nn2)c1	PC-id_146137826,ZINC22_1875269993	362.352	SIUFKXBYUZNVLK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087560
[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1nc2CCCCCc2s1	MCULE-8769021519,EMOLS-id_334606204	362.36	PZRBLFWRWQFWRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087561
O=C(c1noc2c1CCCCC2)N1CCOC(C1)c1ccc(c(c1)F)F	EMOLS-id_100105716	362.371	IJGPZSSWYHFSLS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-087562
Fc1ccc(c(c1)F)C1OCCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319318087	362.374	RVHFKTDNFWXQLD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-087563
O=C(Nc1c(F)cccc1F)CCC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_316694025	362.374	WMSMNOAINNCMAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087564
O(CC(=O)c1c2-c(c(c1)C(=O)OC)ccccc2)c1c(cc(cc1)C)C=O	PC-id_11068444	362.375	WCHCOIQAHZKWIX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-087565
O(CC(=O)c1c2-c(c(c1)C(=O)OC)ccccc2)c1c(cccc1C=O)C	PC-id_11810561	362.375	BLIQMZZZVGSCIM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-087566
c1(C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)noc(C)c1COC	PC-id_56906210,MCULE-9768424618,ZINC22_72458073,EMOLS-id_43148302	362.38	WDWOINOCDNCPKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087567
Cc1ccoc1C(=O)N1Cc2cccn2C[C@H](Oc2ccc(C#N)cn2)C1	ZINC22_253477522	362.382	GFIKDQANKHJZHT-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-087568
Cc1ccoc1C(=O)N1Cc2cccn2C[C@@H](Oc2ccc(C#N)cn2)C1	ZINC22_253477523	362.382	GFIKDQANKHJZHT-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-087569
Cc1ccoc1C(=O)N1CC(Cn2cccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50010920	362.382	GFIKDQANKHJZHT-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-087570
Cc1occc1C(=O)N1Cc2cccn2C[C@H](Oc2ccc(C#N)cn2)C1	ZINC22_248055049	362.382	YIXSLEBHLRSQSZ-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-087571
Cc1occc1C(=O)N1Cc2cccn2C[C@@H](Oc2ccc(C#N)cn2)C1	ZINC22_248055053	362.382	YIXSLEBHLRSQSZ-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-087572
Cc1occc1C(=O)N1CC(Cn2cccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50007604	362.382	YIXSLEBHLRSQSZ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-087573
N#Cc1ccc(cc1)C(=O)N1CC(C(=O)O)c2c(C(C1)(C)C)cc([nH]2)C#N	SCHEMBL4131251,PC-id_68924778	362.382	GAVZGFGCTGYYBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087574
OC1NC(=O)c2c(N(C1=O)Cc1ccccc1)n(cn2)Cc1ccccc1	PC-id_23448722,SCHEMBL5745154	362.382	KZMUBQPEXYUSIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087575
Cn1nc2CCN(CCn2c1=O)C(=O)c1cc(CN2CCOCC2)on1	PC-id_91922400,EMOLS-id_50589947	362.384	HIMXRFSNYXOPKT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087576
O=c1n2CCCCCc2nn1CC(=O)N(CC(=O)Nc1noc(c1)C)C	PC-id_55570658	362.384	BURGYTMNJIXIMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087577
c1(cc([nH]n1)COc1ccccc1)C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_67677888,MCULE-4404914844,PC-id_56749705,EMOLS-id_36592008	362.385	LFSYKLLCQSXMNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087578
C1CN(Cc2cc(nn2C1)C(=O)Nc1ccccc1)C(=O)c1ncncc1	PC-id_137657213	362.385	CDDNLEVVGYSWSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087579
Cn1ccc(C(=O)N2Cc3cccn3C[C@H](Oc3ccc(C#N)cn3)C2)n1	ZINC22_306133044	362.385	MACJHCDTYJGFFC-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087580
Cn1ccc(C(=O)N2Cc3cccn3C[C@@H](Oc3ccc(C#N)cn3)C2)n1	ZINC22_306133045	362.385	MACJHCDTYJGFFC-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087581
Cn1ccc(n1)C(=O)N1CC(Cn2cccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50007582	362.385	MACJHCDTYJGFFC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087582
O=C(N1CCCn2nc(cc2C1)C#N)c1c([nH]nc1)c1cc(OC)ccc1	PC-id_50971896	362.385	ZDVWYVFYKFJKKZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087583
C=CN[C@@H](c1nnc2n1C=C(C=CC2)C(F)(F)F)C/C=C/C=CC=C/C	SCHEMBL19292794	362.392	TYGHGKWVZWHTNA-LDHWOMPYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-087584
N#Cc1c(NC(=O)COc2ccc(F)cc2F)sc2c1CCCCC2	EMOLS-id_44080666,ZINC22_31712731,CoCoCo_4767574,MCULE-4029662131,PC-id_38934821	362.394	WQPKHGCCRMDHNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087585
C1CCc2nnc(n2CC1)/C(=C(/CSc1cc(c(cc1)F)F)O)/C#N	PC-id_135709122	362.397	PCTVRDDZALFGHU-QINSGFPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087586
Fc1ccc(cc1)C(=O)N1CCc2c(CC1)nc(o2)/C=C/c1ccccc1	PC-id_66609209,SCHEMBL159100	362.397	FAORBABIKDMTGL-IZZDOVSWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087587
Fc1ccc(cc1)C(=O)N1CCc2c(CC1)nc(o2)C=Cc1ccccc1	PC-id_66609210,SCHEMBL159101	362.397	FAORBABIKDMTGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087588
O=C(c1ccc2c(c1)[nH]c(n2)C(F)F)Nc1nc2c(s1)CCCCC2	PC-id_100906183	362.397	NWZXNBMOXRXKEM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087589
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1cc(F)c(F)cc1	PC-id_84976955	362.397	UQCRIGJNLGNJEU-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-087590
S(CC(=O)/C(=C
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C1CN(Cc2cc(nn2C1)C(CO)O)CC(=O)NCc1ccccc1F	MCULE-9326448907,PC-id_91789013,EMOLS-id_55685869	362.399	XVAPXBCUFJAJKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087592
COc1ccc(cc1F)C(NC(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_86921830	362.399	BRDSVTWBWCWZGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087593
COCCNC(=O)C1CCCCc2nn(Cc3cccc(F)c3)c(=O)n12	MCULE-8008027384,EMOLS-id_207869547	362.399	HJWMREDYZMHRFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087594
OC[C@@H](c1nn2c(c1)CN(CCC2)CC(=O)NCc1ccccc1F)O	PC-id_99987262	362.399	XVAPXBCUFJAJKD-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087595
OC[C@H](c1nn2c(c1)CN(CCC2)CC(=O)NCc1ccccc1F)O	PC-id_99987267	362.399	XVAPXBCUFJAJKD-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087596
COc1ccc(cc1)S(=NC(=O)c1coc2c1C(=O)NCCC2)(=O)C	MCULE-4289251302,EMOLS-id_316953738	362.4	IVHSFEJEEZZUMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087597
COc1ccc([S@@](=O)(=NC(=O)c2coc3c2C(=O)NCCC3)C)cc1	ZINC22_925993075	362.4	IVHSFEJEEZZUMK-RUZDIDTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-087598
COc1ccc([S@](=O)(=NC(=O)c2coc3c2C(=O)NCCC3)C)cc1	ZINC22_925993078	362.4	IVHSFEJEEZZUMK-VWLOTQADSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087599
N#Cc1c(NC(=O)COC(=O)C2=COCCO2)sc2c1CCCCC2	MCULE-3467232913,CoCoCo_2967957,EMOLS-id_3378923,PC-id_4783315,ZINC22_4871230	362.4	XMUKIBQKCNBWIG-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-087600
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1ccc2c(c1)CCO2	EMOLS-id_112062215	362.4	ALWSSENKRDDSCO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-087601
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1ccc2c(c1)COC2	MCULE-7262420192,EMOLS-id_50354337,PC-id_99712349	362.4	RZQMJCDUTFFADU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-087602
s1c2CCCCCc2cc1C(=O)OCC(=O)NNC(=O)c1occc1	PC-id_7649911	362.4	SZDVLLQTBFSZFN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-087603
s1c2c(CCCCC2)c(c1NC(=O)c1occc1)C(=O)NC(=O)OC	PC-id_7521876	362.4	MTBNNEUTGDCDNG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-087604
CN(C)CCOCc1nnn2c1CN(C(=O)c1ccnc(F)c1)CCC2	EMOLS-id_313736411,ZINC22_585110543	362.402	UHHOLKMCZXQXBK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087605
c1(sccc1NC(=O)C)C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	ZINC22_65385887,MCULE-6406998396,EMOLS-id_32384048,PC-id_50956520	362.404	NKFWYQOFKPHNKG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087606
Cc1oc(c2ccco2)nc1CS(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_189643612,MCULE-8816785241,ZINC22_160900696	362.404	LYENIGKSRUMUEV-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-087607
COc1c(cc(cc1)NC(=O)Nc1nc2c(s1)C(=O)NCCC2)OC	PC-id_90625541	362.404	XYXAKNUSIPEPQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087608
COc1cc(c(cc1)NC(=O)Nc1nc2c(s1)C(=O)NCCC2)OC	PC-id_90625545	362.404	DYGQPMRMESPCAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087609
COc1cc(cc(c1)NC(=O)Nc1nc2c(s1)C(=O)NCCC2)OC	PC-id_90625558	362.404	GFPDDWBPONRXOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087610
COc1cccc(c1OC)NC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625551	362.404	APZIMNHHUDCBQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087611
O=c1[nH]c2ccc(cc2o1)S(=O)(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_222788100,MCULE-7390287862,ZINC22_670469329	362.404	SJVLTHYNMJGBHA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087612
c1ccc(cc1)Nc1nc2c(s1)C=NNC(=O)/C/2=Cc1ccccc1O	PC-id_135829268	362.405	WIZSWOWZGXPIPZ-UVTDQMKNSA-N	00000000100000110111000000000010000000000000000000000000	31-01-087613
s1c2=CNNC(=O)C(=c2nc1Nc1ccccc1)/C=C
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Cn1nc2cccc(c2n1)S(=O)(=O)N1CCCn2nc(CO)cc2C1	MCULE-9470002980,EMOLS-id_55609164,PC-id_91762254	362.407	DHMFIGHTYKRMRA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087615
O=S(=O)(NCc1cc2CNCCCn2n1)c1ccc(o1)c1ccn[nH]1	PC-id_70786059,EMOLS-id_44451911,MCULE-7805343755,ZINC22_82166403	362.407	XMYHAHQKUBVDRV-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-087616
CS(=O)(=O)N1CCCn2nc(CNc3ncnc4[nH]cnc34)cc2C1	PC-id_70744014,ZINC22_82115574,MCULE-2024979031,EMOLS-id_44437347	362.41	VOUSEIGBEWGOHP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087617
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)F)C(=O)NC(C)(C)C	PC-id_76325832	362.41	TZVCWCPZUHJTPD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-087618
s1c2CCCCCc2cc1C(=O)OCC(=O)c1cc(F)c(OC)cc1	PC-id_7545812	362.415	WRTQVRUUXZTIDR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087619
C1C(=O)C(/C(=CCC(Cc2ccc(CC1(C)O)o2)C(=C)C)/C(=O)OC)O	CMNPD6311	362.417	VVISFTNJURKQRB-LZYBPNLTSA-N	00000000100000000110000000000010000000000000000000000000	31-01-087620
CC(C)N(C)Cc1ncn2c1CN(C(=O)c1ccc(F)c(F)c1)CCC2	ZINC22_96259242,PC-id_97519326,EMOLS-id_44370030	362.417	DCDHQOIXYQSENG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087621
CC(C)N(C)Cc1ncn2c1CN(C(=O)c1cc(F)cc(F)c1)CCC2	ZINC22_96259243,PC-id_97519327,EMOLS-id_44370032	362.417	SLZUNPKJSXDAQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087622
Fc1cc(cc(c1)F)Nc1ncc2n1CCCN(C2)CC1CCOCC1	SCHEMBL16835404,PC-id_118173749	362.417	AGUJHRGWKONPDI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-087623
FC(C(N(C(=O)C1CCn2c(CC1)nnc2)C)CCc1ccccc1)F	MCULE-1620858117,EMOLS-id_320067645	362.417	APVMXDWZSWSQKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087624
FC(C(NC(=O)N1CCCc2c(C1)cnn2C)CCc1ccccc1)F	MCULE-1178804807,EMOLS-id_316410706	362.417	CWUVLFDMHVYJEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087625
O=C(OC)/C/1=C/CC(C(=C)C)Cc2oc(cc2)CC(O)(C)CC(=O)C1O	CNP0435133	362.417	VVISFTNJURKQRB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-087626
CCOC(=O)CCCc1cc(c2-c1ccccc2)C(=O)c1ccc(cc1)O	PC-id_139673456	362.418	DCSNAACDNNTECC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-087627
Fc1ccc(cc1)OCC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	CoCoCo_6256041,PC-id_3987568	362.418	BHSYNICDPOIGBH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087628
O(CC(=O)c1c2-c(c(CCC)c1)ccccc2)c1c(cccc1OC)C=O	PC-id_10959393	362.418	DYQAHTLZJZBVIW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-087629
O(CC(=O)c1c2-c(c(CCC)c1)ccccc2)c1c(ccc(OC)c1)C=O	PC-id_11111231	362.418	WOTWZJHVBILRJY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-087630
O(CC(=O)c1c2-c(c(CCC)c1)ccccc2)c1c(cc(OC)cc1)C=O	PC-id_11089753	362.418	ULFURDMCBUKRPD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-087631
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(F)c(OC)cc1	PC-id_8409382	362.418	IDOUDLJMGNAVQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087632
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(F)cc(OC)cc1	PC-id_8409378	362.418	VYOFTTPTHVRQHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087633
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1ccc(F)cc1	PC-id_9301024	362.418	JAHBBCNODPBQDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087634
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1cc(F)ccc1	PC-id_55333322	362.418	HEDBIQAMPSMSLZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087635
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1c(F)cccc1	PC-id_7601171	362.418	PAMCODWZKVXVJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087636
s1c2c(CCCCC2)c(c1NC(=O)COc1cc(F)ccc1)C(=O)N	PC-id_60387993	362.418	JTXDWISLCSVJFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087637
s1c2c(CCCCC2)c(c1NC(=O)COc1c(F)cccc1)C(=O)N	PC-id_55334276	362.418	WPWDGJJQDOQZFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087638
CCNC(=NCc1cc(F)ccc1F)NCc1nnc2n1CCCCC2	PC-id_111902229	362.42	XZKQNKXFCOOWLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087639
CN=C(NCc1cc(F)ccc1F)NCCc1nnc2n1CCCCC2	PC-id_111902359	362.42	VTJHOZJATZZWMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087640
COC(=O)C1OC2C(C1)N(C(CC2)C)C(=O)c1noc2c1CCCCC2	EMOLS-id_110294541	362.42	WPAOISOGNHTAHQ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-087641
OC(=O)C1CCO[C@H]1C1CCN(CC1)C(=O)c1noc2c1CCCCC2	PC-id_121974586	362.42	QYVKFKBHSBRSEZ-JRZJBTRGSA-N	00000010100010000101100000000010000000000000000000000000	31-01-087642
CCOC(=O)c1c2-c(ccccc2)c(c1O)C=Nc1ccc(cc1)N(C)C	PC-id_136814862	362.422	QUCPNGBYGRPANY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-087643
CC(=O)Nc1ccc(c(c1)F)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3654377,CoCoCo_3654376	362.422	KYKMKUGGKZITEA-XNTDXEJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087644
CC(=O)Nc1ccc(c(c1)F)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3654378,CoCoCo_3654375	362.422	KYKMKUGGKZITEA-GDNBJRDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087645
CC(=O)Nc1ccc(C(=O)CSc2nnc3n2CCCCC3)c(F)c1	EMOLS-id_3595196,PC-id_8320245,MCULE-8740698457,ZINC22_7215175,CoCoCo_3654374	362.422	SFLRVRHZJMMNNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087646
FC1(CC1)C(=O)N1CC(CNC(=O)c2ccsc2)Cn2nccc2C1	EMOLS-id_313733042	362.422	BICFUSVPKGMAHP-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-087647
O(C1C(O)Cn2c(C(=C1)OCc1ccccc1)cnc2)Cc1ccccc1	PC-id_72791271	362.422	GTHUWYJLFWVFSB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-087648
O([C@@H]1[C@H](O)Cn2c(C(=C1)OCc1ccccc1)cnc2)Cc1ccccc1	PC-id_11302936	362.422	GTHUWYJLFWVFSB-IRLDBZIGSA-N	00000000100000110111000000000010000000000000000000000000	31-01-087649
O=C(NC[C@@H]1CN(C(=O)C2(F)CC2)Cc2ccnn2C1)c1ccsc1	ZINC22_585098984	362.422	BICFUSVPKGMAHP-GFCCVEGCSA-N	00100000100100000101000000000010000000000000000000000000	31-01-087650
O=C(NC[C@H]1CN(C(=O)C2(F)CC2)Cc2ccnn2C1)c1ccsc1	ZINC22_585098985	362.422	BICFUSVPKGMAHP-LBPRGKRZSA-N	00100000100100000101000000000010000000000000000000000000	31-01-087651
c1(C(=O)OC)cc2n(CCCN(C2)C(=O)C2CC(=O)N(CC(C)C)C2)n1	EMOLS-id_32413344,MCULE-5362537746,PC-id_50972038	362.423	PVSJUOJFKPWMJH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087652
CC(NC(=O)C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_111824344	362.423	VFWCBYYGGSDHNW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087653
COC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]1CC(=O)N(CC(C)C)C1)C2	PC-id_95133249,ZINC22_65435683	362.423	PVSJUOJFKPWMJH-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087654
COC(=O)c1cc2n(n1)CCCN(C(=O)[C@H]1CC(=O)N(CC(C)C)C1)C2	ZINC22_65435685,PC-id_95133250	362.423	PVSJUOJFKPWMJH-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087655
c1ccc(Cc2nc3n(n2)CCN(Cc2cccc4c2OCO4)CC3)cc1	EMOLS-id_337785408,ZINC22_2356152168,MCULE-7338839761	362.425	CVLPXDDDHZKXEL-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-087656
C1CN(Cc2cc(nn2C1)C(c1ccccc1)O)C(=O)Cc1cnccc1	PC-id_91788409	362.425	MBDZCONIPBTQQF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087657
C1CN(CCc2c1nc(o2)C(=O)NCc1ccncc1)Cc1ccccc1	PC-id_134806560	362.425	PWJNBPXRMVDOCQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087658
C1CN(CCn2c1ncc2C(=O)Nc1ccccc1)Cc1cc(ccc1)O	PC-id_134806200	362.425	KACKKUYCODOIHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087659
c1(C(=O)Nc2ccccc2c2cccc(OC)c2)cn2c(CCNCC2)n1	PC-id_154820022,EMOLS-id_324319883,ZINC22_1857731959,MCULE-8385346806	362.425	VTQYGUAAAQYVPQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087660
Cc1ccc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)Nc1cnccc1	PC-id_134807200	362.425	ANYMVTLADNNJBH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087661
Cc1ccc(cc1)C(=O)N1CCCn2c(C1)cc(n2)OCc1ccncc1	PC-id_118065825,SCHEMBL16704539	362.425	ZOAXGBQWHGHOIA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087662
Cc1ccc(C(=O)N2Cc3cccn3C[C@H](OCc3cccnc3)C2)cn1	ZINC22_248115950	362.425	SKMADQPRSBOBLV-FQEVSTJZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087663
Cc1ccc(C(=O)N2Cc3cccn3C[C@@H](OCc3cccnc3)C2)cn1	ZINC22_248115953	362.425	SKMADQPRSBOBLV-HXUWFJFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087664
Cc1cncc(c1)C(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_55748395	362.425	ZKIGQGGGOKWQRC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087665
Cc1cncc(C(=O)N2Cc3cccn3C[C@H](OCc3ccccn3)C2)c1	ZINC22_575405721	362.425	ZKIGQGGGOKWQRC-FQEVSTJZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087666
Cc1cncc(C(=O)N2Cc3cccn3C[C@@H](OCc3ccccn3)C2)c1	ZINC22_575405724	362.425	ZKIGQGGGOKWQRC-HXUWFJFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087667
CN1CCN(CC1)C(=O)c1nc2=CCC(=CC=c2[nH]1)C(=O)c1ccccc1	PC-id_142869891	362.425	ORKZNTZBUONRQU-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-087668
CN(C(=O)C1CCn2c(CC1)nnc2)c1ccc(cc1)Oc1ccccc1	EMOLS-id_316694688	362.425	BUVAPSXSUXSFAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087669
COc1ccccc1c1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319377040	362.425	FATXKFFPXGSFPW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087670
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCCN2Cc1ccccn1	PC-id_66667948,SCHEMBL367353	362.425	XEWHLFSXUVHSFG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087671
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCCN2Cc1ccncc1	SCHEMBL366569,PC-id_66667662	362.425	UOMTXCAOJHPQLG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087672
n12CCCNCc1cc(CNC(=O)c1ccccc1Oc1ccccc1)n2	PC-id_70732382,MCULE-3316103046,ZINC22_82107349,EMOLS-id_44433205	362.425	LEVTWBDONROYOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087673
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)Cc1ccccc1	EMOLS-id_168607844,MCULE-5291358091	362.425	BZEKYWCDTJRZRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087674
n1c(Cc2ccccc2)nn2CCN(Cc3cccc(c3)C(=O)O)CCc12	EMOLS-id_337817735,MCULE-8649093973,ZINC22_2356168444	362.425	DNQJOWRBDPUPPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087675
n1c(Cc2ccccc2)nn2CCN(C(=O)COc3ccccc3)CCc12	EMOLS-id_337815414,ZINC22_2356164846,MCULE-3852573135	362.425	IZBQYTJTCARTLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087676
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)c1cccc(O)c1	MCULE-6337329529,EMOLS-id_337777536,ZINC22_2356165592	362.425	KNPZIMMQQCBFBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087677
O=C(C1CCN(C(=O)[C@H]2CCCCn3nnnc23)CC1)N1CCOCC1	ZINC22_299770241	362.427	QFMULACQVMXLDF-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087717
n1c(CNC(=O)c2cccc(c2)c2ccc[nH]c2=O)c2c(CCCCC2)[nH]1	MCULE-2277234842,ZINC22_299770689,EMOLS-id_68879613,PC-id_118765312	362.425	VJPHBLCUYSEVFO-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-087678
N#Cc1ccc(O[C@@H]2CN(C(=O)C3=CCCCC3)Cc3cccn3C2)nc1	ZINC22_306127085	362.425	FOEXVXVNFMYXBT-IBGZPJMESA-N	00000000100011101101000000000010000000000000000000000000	31-01-087679
N#Cc1ccc(O[C@H]2CN(C(=O)C3=CCCCC3)Cc3cccn3C2)nc1	ZINC22_306127086	362.425	FOEXVXVNFMYXBT-LJQANCHMSA-N	00000000100011101101000000000010000000000000000000000000	31-01-087680
O(c1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1OCC#C)CC	PC-id_78650370	362.425	GYWDYNAHWNUYAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087681
O(c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1OCC#C)CC	PC-id_8275454	362.425	GYWDYNAHWNUYAA-GHRIWEEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-087682
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)COc1ccccc1	EMOLS-id_319922369,MCULE-2123735657	362.425	JWTYWPBMBQGSCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087683
O=C(C1CCn2c(CC1)nnc2)Nc1cc(ccc1O)Cc1ccccc1	EMOLS-id_319448401	362.425	XVNRZWOGRPLZSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087684
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(cc1)Oc1ccccc1	EMOLS-id_316627048	362.425	NMISLJQQTOLTPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087685
O=C(C1CCn2c(CC1)nnc2)NCc1ccccc1Oc1ccccc1	EMOLS-id_320070576,MCULE-3752511111	362.425	DCYRLGJTTAVHAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087686
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccccc1c1ccccc1	CoCoCo_4406411,ZINC22_29246798,MCULE-2302264244,EMOLS-id_24070028,PC-id_36433279	362.425	IDQYALUWBYYZRO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087687
O[C@H](c1cc2n(n1)CCCN(C2)C(=O)Cc1cccnc1)c1ccccc1	PC-id_100171198	362.425	MBDZCONIPBTQQF-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087688
O[C@@H](c1cc2n(n1)CCCN(C2)C(=O)Cc1cccnc1)c1ccccc1	PC-id_100171204	362.425	MBDZCONIPBTQQF-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087689
O=C(N1CC(Cn2cccc2C1)Oc1ccc(cn1)C#N)C1=CCCCC1	EMOLS-id_50007584	362.425	FOEXVXVNFMYXBT-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-087690
O=C(N1CCn2c(CC1)nnc2Cc1ccccc1)COc1ccccc1	ChEMBL-DNDi_CHEMBL63677490	362.425	FUAQAJYFECFLSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087691
O=C(NCc1ccccc1)c1ccc2CCN(CCn12)C(=O)c1cc[nH]c1	EMOLS-id_313773517,ZINC22_1565545218	362.425	BNRMKJAHGLGUSY-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-087692
O=C(NCc1n2CCCCCc2nn1)c1cc(Oc2ccccc2)ccc1	PC-id_51266222	362.425	YTIVETBYALBFTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087693
O=C(NCc1n2CCCCCc2nn1)c1c(Oc2ccccc2)cccc1	PC-id_24646574	362.425	DQRSXFHWVRWSMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087694
O=C(NCc1nnc2n1CCCCC2)c1ccc(Oc2ccccc2)cc1	CoCoCo_3865656,MCULE-5875696443,ZINC22_8734000,PC-id_17441689,EMOLS-id_13446369	362.425	PJWGZKZKQLMZNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087695
c12nnnn1CCCCC2C(=O)N1CCC(CC1)C(=O)N1CCOCC1	MCULE-8555964190,PC-id_118766799,EMOLS-id_68882844	362.427	QFMULACQVMXLDF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087696
c1(C(=O)NC)cn2c(CCN(CC2)C(=O)C2CCCN(CC(=O)N)C2)n1	MCULE-5552571332,EMOLS-id_331119384	362.427	DDGLGMHUPYRRET-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087697
c1(C(=O)NCCN(C)C)cc2n(CCCN(C(=O)C3CC(=NO3)C)C2)n1	PC-id_50965479,EMOLS-id_32400988,MCULE-9693757592	362.427	LGZXJSOWALFMRL-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-087698
CC1=NO[C@H](C(=O)N2CCCn3nc(C(=O)NCCN(C)C)cc3C2)C1	PC-id_95128664,ZINC22_65407133	362.427	LGZXJSOWALFMRL-HNNXBMFYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-087699
CC1=NO[C@@H](C(=O)N2CCCn3nc(C(=O)NCCN(C)C)cc3C2)C1	PC-id_95128665,ZINC22_65407134	362.427	LGZXJSOWALFMRL-OAHLLOKOSA-N	00000011100000000101000000000010000000000000000000000000	31-01-087700
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CCC(=O)N(C1=O)C	EMOLS-id_102213010	362.427	GQTZYKBQJPWWIC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087701
C[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1nnc2n1CCCCC2	PC-id_52527427,ZINC22_58344287	362.427	PDLZDHQLKVCEMA-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087702
C[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1nnc2n1CCCCC2	PC-id_52527428,ZINC22_58344288	362.427	PDLZDHQLKVCEMA-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087703
CCN(Cc1nc(COC)no1)C(=O)NCc1n[nH]c2c1CCCCC2	PC-id_121509476,ZINC22_426627613,MCULE-1662752834,EMOLS-id_177477807	362.427	CJQMGFZMGMUVDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087704
CN1CCN(CC1)C(=O)C1CN(Cc2ncnn2C1)C(=O)C1CCOC1	EMOLS-id_313722840	362.427	MVOYGONJHAQJRE-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087705
CN1CCN(CC1)C(=O)C1CN(Cc2ncnn2C1)C(=O)C1CC(O)C1	EMOLS-id_313724376	362.427	OWXKIDOFVKRKDZ-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-087706
CN1CCN(C(=O)[C@@H]2CN(C(=O)C3CC(O)C3)Cc3ncnn3C2)CC1	ZINC22_1565551552	362.427	OWXKIDOFVKRKDZ-ROKHWSDSSA-N	00001000100010000101000000000010000000000000000000000000	31-01-087707
CN1CCN(C(=O)[C@H]2CN(C(=O)C3CC(O)C3)Cc3ncnn3C2)CC1	ZINC22_1614933397	362.427	OWXKIDOFVKRKDZ-MOKVOYLWSA-N	00001000100010000101000000000010000000000000000000000000	31-01-087708
CN1CCN(C(=O)[C@H]2CN(C(=O)[C@H]3CCOC3)Cc3ncnn3C2)CC1	ZINC22_1565547723	362.427	MVOYGONJHAQJRE-KBPBESRZSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087709
CN1CCN(C(=O)[C@H]2CN(C(=O)[C@@H]3CCOC3)Cc3ncnn3C2)CC1	ZINC22_1565547730	362.427	MVOYGONJHAQJRE-KGLIPLIRSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087710
CN1CCN(C(=O)[C@@H]2CN(C(=O)[C@H]3CCOC3)Cc3ncnn3C2)CC1	ZINC22_1565547731	362.427	MVOYGONJHAQJRE-UONOGXRCSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087711
CN1CCN(C(=O)[C@@H]2CN(C(=O)[C@@H]3CCOC3)Cc3ncnn3C2)CC1	ZINC22_1565547732	362.427	MVOYGONJHAQJRE-ZIAGYGMSSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087712
CNC(=O)c1cn2c(n1)CCN(C(=O)[C@@H]1CCCN(CC(=O)N)C1)CC2	ZINC22_1875244202	362.427	DDGLGMHUPYRRET-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087713
CNC(=O)c1cn2c(n1)CCN(C(=O)[C@H]1CCCN(CC(=O)N)C1)CC2	ZINC22_1875244203	362.427	DDGLGMHUPYRRET-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087714
COCCn1nc2n(c1=O)CCC(CC2)CC(=O)NCCn1ccnc1	MCULE-4407402118,EMOLS-id_207877427	362.427	IPNHPDINKNOUCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087715
o1c(nnc1CC)CN1CCCn2nc(cc2C1)CCC(=O)NCCO	EMOLS-id_44445617,MCULE-4000699668,PC-id_70767900	362.427	RPVZVHXWGSNURV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087716
O=C(C1CCN(C(=O)[C@@H]2CCCCn3nnnc23)CC1)N1CCOCC1	ZINC22_299770242	362.427	QFMULACQVMXLDF-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087718
O=C(NC(c1n2CCCCCc2nn1)C)CCCN1C(=O)CN(C1=O)C	PC-id_51114956,EMOLS-id_33348896,MCULE-9376331902	362.427	PDLZDHQLKVCEMA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087719
c12CN(CCCn1nc(C#N)c2)C(=O)NCCn1c2ccccc2cc1C	EMOLS-id_177485372,PC-id_121510426,ZINC22_426651912,MCULE-6184900120	362.428	AJEXKTVTERGUFQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-087720
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3ccccc3C#N)C2)n1	PC-id_91779738,MCULE-4115592670,EMOLS-id_55659072	362.428	KUGJRALNPDVMQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087721
c1(C(=O)N2CCn3c(CC2)nc(Cc2ccccc2)n3)c2CCCc2[nH]n1	ZINC22_2356139745,MCULE-4283096878,EMOLS-id_337835778	362.428	WLXBBZMDNUMZAA-UHFFFAOYSA-N	00000010100000110101000010000010000000000000000000000000	31-01-087722
c1(C(=O)NCCc2nccc(c3ccccc3)n2)cn2c(CCNCC2)n1	EMOLS-id_331093050,MCULE-1513565464,ZINC22_1875249398	362.428	PTLLWKUACYXNCB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087723
Cc1ccc(cn1)C(=O)N1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_50373233	362.428	LRLMULBDBHJHAL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087724
Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)cn1	ZINC22_248092412	362.428	LRLMULBDBHJHAL-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087725
Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNc3ccccn3)C2)cn1	ZINC22_248092415	362.428	LRLMULBDBHJHAL-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087726
Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)nc1	ZINC22_253603592	362.428	ZNZAVZJEYMOXGX-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087727
Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNc3ccccn3)C2)nc1	ZINC22_253603593	362.428	ZNZAVZJEYMOXGX-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087728
Cc1ccc(nc1)C(=O)N1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_50373701	362.428	ZNZAVZJEYMOXGX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087729
CCc1ncc(cn1)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337816894,MCULE-2170614166,ZINC22_2356150259	362.428	TYJKMDJQZNFSRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087730
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(Cc1ccccc1C#N)C2	PC-id_100061065,ZINC22_220570685	362.428	KUGJRALNPDVMQF-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087731
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(Cc1ccccc1C#N)C2	ZINC22_220570758,PC-id_100061067	362.428	KUGJRALNPDVMQF-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087732
n12CCN(CCc1nnc2Cc1cccnc1)C(=O)CCc1cccnc1	ZINC22_299775011,EMOLS-id_68917034,MCULE-3688560109,PC-id_118783392	362.428	JYZHWXJHACUOLY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087733
n12CCN(CCc1nnc2CNC(=O)c1ccccc1)Cc1cccnc1	CoCoCo_1119477,MCULE-4927520989,ChEMBL-DNDi_CHEMBL10395044,CoCoCo_1119476,ZINC22_11840820,PC-id_42212651,EMOLS-id_20390742	362.428	CXTAEMNCJMNMDI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087734
n12CCN(CCc1nnc2CNC(=O)c1ccccn1)Cc1ccccc1	PC-id_28389015,CoCoCo_1170437,ZINC22_19835849,EMOLS-id_20428431,ChEMBL-DNDi_CHEMBL15630540,MCULE-4916750596,CoCoCo_1170436	362.428	LEXFFGJFHQWBHO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087735
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)c1cccc(N)n1	MCULE-9806550193,EMOLS-id_337813873,ZINC22_2356165136	362.428	VGGYAROQGGFJGU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087736
n1c(CNC(=O)c2cccc(c2)c2cnc(nc2)N)c2c(CCCCC2)[nH]1	EMOLS-id_177476116,ZINC22_426623145,PC-id_121509260,MCULE-4798392367	362.428	ZXSMOLDXUAQIKP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087737
n1c(CNC(=O)c2cnc(nc2)Nc2ccccc2)c2c(CCCCC2)[nH]1	EMOLS-id_46063397,ZINC22_91663175,MCULE-9029942976,PC-id_72890720	362.428	JXDHNZIQIQUEFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087738
N#C/C(=C
/OC2=C(N1)C=CC=CC2)/c1ccnc(n1)NCC1CCNCC1	PC-id_143015988	362.428	JICGXJCBKCXDKH-CYVLTUHYSA-N	00000011000010100111000000000010000000000000000000000000	31-01-087739
o1nc(n2c(c(C=C(c3n4CCCCCc4nn3)C#N)cc2C)C)cc1C	PC-id_84948403	362.428	NUUQNWBWZYFHOA-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-087740
o1nc(n2c(c(/C=C(/c3n4CCCCCc4nn3)C#N)cc2C)C)cc1C	PC-id_9187288	362.428	NUUQNWBWZYFHOA-GZTJUZNOSA-N	00000000110000000101100000000010000000000000000000000000	31-01-087741
O=C1N[C@@H](C)C(c2n(C1)nnn2)N(Cc1ccccc1)Cc1ccccc1	PC-id_101173929	362.428	LYUWSOKPAHORDB-FUKCDUGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087742
O=C(c1ccccc1C1CC1)N1CCCn2c(nnc2Cn2ccnc2)C1	EMOLS-id_313730260,ZINC22_1565554687	362.428	DOEDLBNEVFWZKF-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-087743
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(cc1)Nc1ccncc1	EMOLS-id_319933446,MCULE-2145932485	362.428	JUUGJHSOIMMLSL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087744
O=C(c1ccnnc1)N1Cc2cccn2C[C@H](CCNc2ccccn2)C1	ZINC22_585095424	362.428	QMVOEJXMOIPUNU-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087745
O=C(c1ccnnc1)N1Cc2cccn2C[C@@H](CCNc2ccccn2)C1	ZINC22_585095427	362.428	QMVOEJXMOIPUNU-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087746
O=C(N1CC(CCNc2ccccn2)Cn2cccc2C1)c1ccnnc1	EMOLS-id_313749427	362.428	QMVOEJXMOIPUNU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087747
O=C(NCC1CN(Cc2ccccc2)Cc2ccnn2C1)c1cnccn1	EMOLS-id_50372983	362.428	JFGJOLDCVBQRSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087748
O=C(NCc1n2CCCCCc2nn1)/C=C/c1cn(nc1)c1ccccc1	PC-id_24676692	362.428	APADRMYNNMULPF-ZHACJKMWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087749
O=C(NCc1n2CCCCCc2nn1)C=Cc1cn(nc1)c1ccccc1	PC-id_74311137	362.428	APADRMYNNMULPF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-087750
O=C(NC[C@H]1CN(Cc2ccccc2)Cc2ccnn2C1)c1cnccn1	ZINC22_306130406	362.428	JFGJOLDCVBQRSG-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087751
O=C(NC[C@@H]1CN(Cc2ccccc2)Cc2ccnn2C1)c1cnccn1	ZINC22_306130407	362.428	JFGJOLDCVBQRSG-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087752
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)CC1CC(C1)(F)F	EMOLS-id_101293266	362.438	UXTOPVYRHDLDHY-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-087753
CC1=C(C(=Cc2cc3-c(ccccc3)c2CN(C)C)C(=O)N1)C=C(C=C)F	PC-id_89275613	362.44	SQJMYQKXKIUZPV-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-087754
C=C/C(=CC1=C(C)NC(=O)/C/1=C/c1cc2-c(c1CN(C)C)ccccc2)/F	SCHEMBL14216244	362.44	SQJMYQKXKIUZPV-DZAIISKASA-N	00000011100000000110000000000010000000000000000000000000	31-01-087755
COc1cccc(F)c1CN1CCCn2nc(cc2C1)C(O)CN(C)C	PC-id_90651835,MCULE-1935376576,EMOLS-id_50542405	362.442	RWCSXCFAFQIWFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087756
COc1cccc(F)c1CN1CCCn2nc([C@@H](O)CN(C)C)cc2C1	PC-id_100066294,ZINC22_221244091	362.442	RWCSXCFAFQIWFW-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087757
COc1cccc(F)c1CN1CCCn2nc([C@H](O)CN(C)C)cc2C1	ZINC22_221244158,PC-id_100066295	362.442	RWCSXCFAFQIWFW-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087758
COc1c(F)cccc1CN1CCCn2nc(cc2C1)C(O)CN(C)C	PC-id_91765864,EMOLS-id_55619236,MCULE-3011459544	362.442	IACPOXMCVLBMLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087759
COc1c(F)cccc1CN1CCCn2nc([C@@H](O)CN(C)C)cc2C1	ZINC22_218864679,PC-id_100028372	362.442	IACPOXMCVLBMLA-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087760
COc1c(F)cccc1CN1CCCn2nc([C@H](O)CN(C)C)cc2C1	ZINC22_218864752,PC-id_100028375	362.442	IACPOXMCVLBMLA-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087761
c1(NC(=O)c2c3CCCCCc3on2)sc(c(C)c1C(=O)OCC)C	ZINC22_2498143,PC-id_6619103,MCULE-8531752806,EMOLS-id_2594026,TIMTEC139070	362.443	FAVFQMPCINXTKO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087762
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCCCC2)c1C(=O)N	MCULE-9079956364,SCHEMBL681883,TIMTEC302166,EMOLS-id_2444361,CHEMBL1556121,ChEMBL-DNDi_CHEMBL1556121,PC-id_2932693	362.443	MAVGXAKPWNROPG-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-087763
c1(NC(=O)c2c(CC)noc2C)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_1070410,ZINC22_13327755,MCULE-4712717559,PC-id_17173104,TIMTEC445169,EMOLS-id_13330618	362.443	SEJFIEBYBZAPEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087764
c1(NC(=O)c2c(C)c(on2)C)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_6595721,PC-id_17026470,ZINC22_13641066,EMOLS-id_8865220,MCULE-6922549813,TIMTEC259368	362.443	KFACZJUJOGADLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087765
c1(NC(=O)c2c(C)noc2C)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC378319,ZINC22_2486484,EMOLS-id_4040139,CoCoCo_1850281,MCULE-1607947297,PC-id_4063911,CHEMBL1404803	362.443	PHRCYDHUKMQQIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087766
c1(NC(=O)c2c(C)noc2C)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_2043284,PC-id_1247104,MCULE-8638391954,TIMTEC259202,CoCoCo_543118,ZINC22_1055897,ChEMBL-DNDi_CHEMBL1555838,CHEMBL1555838	362.443	KEVOLNUSCLHXGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087767
Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCCCCC3)no1	PC-id_42243095,ZINC22_11877347	362.443	RTLHQUBJPNVCJY-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087768
Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCCCCC3)no1	ZINC22_11877346,PC-id_42243094	362.443	RTLHQUBJPNVCJY-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087769
Cc1onc(c1)NC(=O)C(OC(=O)c1sc2c(c1)CCCCCC2)C	EMOLS-id_30236032,PC-id_45853835,MCULE-2286463408	362.443	RTLHQUBJPNVCJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087770
CC(C)c1cc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)on1	PC-id_9101004,EMOLS-id_43703977,ZINC22_7973916,CoCoCo_2861454,MCULE-5749609634	362.443	ITVGWMRYMAYIHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087771
COc1cc(cc(OC)c1OC)C(=O)Nc1nc2CCCCCc2s1	ZINC22_12828443,PC-id_17470019,EMOLS-id_13539097,MCULE-2770811146,CoCoCo_4546051	362.443	WBBQTLXHXGOVQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087772
COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)c(OC)c1OC	CoCoCo_4546065,PC-id_17518588,ZINC22_12828489,MCULE-3130893490,EMOLS-id_16730028	362.443	MJDMHKHLQVONLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087773
COc1cc(OC)c(C(=O)Nc2nc3c(s2)CCCCC3)cc1OC	ZINC22_14158952,MCULE-8756475656,PC-id_17455195,EMOLS-id_13476500,CoCoCo_4546091	362.443	RJGHGXSJLLKZLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087774
CS(=O)(=O)[C@@H](CNC(=O)N1CCCc2occc2C1)c1ccccc1	ZINC22_2325790762	362.443	IKMUQOHGWIAZOD-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087775
CS(=O)(=O)[C@H](CNC(=O)N1CCCc2occc2C1)c1ccccc1	ZINC22_2325790763	362.443	IKMUQOHGWIAZOD-QGZVFWFLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-087776
NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_5820601,PC-id_1010174,ZINC22_4019127	362.443	MAVGXAKPWNROPG-QWRGUYRKSA-N	00000000100011000100000000000010000000000000000000000000	31-01-087777
NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	PC-id_1010172,CoCoCo_5820599,ZINC22_4019128	362.443	MAVGXAKPWNROPG-GHMZBOCLSA-N	00000000100011000100000000000010000000000000000000000000	31-01-087778
NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_7074159,CoCoCo_5820602,ZINC22_4019126	362.443	MAVGXAKPWNROPG-MNOVXSKESA-N	00000000100011000100000000000010000000000000000000000000	31-01-087779
NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_4019129,CoCoCo_5820600,PC-id_1010171	362.443	MAVGXAKPWNROPG-WDEREUQCSA-N	00000000100011000100000000000010000000000000000000000000	31-01-087780
O=C(c1noc2c1CCCCC2)N[C@@H]1c2sccc2OC([C@H]1O)(C)C	EMOLS-id_101516571	362.443	MHRPPZXUZROLGJ-ZBFHGGJFSA-N	00000000100010000101000000010010000000000000000000000000	31-01-087781
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)[C@H]1OCCC1)C)C#N	PC-id_8729911	362.443	VVAKMKBUJCYUHC-FZMZJTMJSA-N	00000010100000000100000000000010000000000000000000000000	31-01-087782
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)[C@H]1OCCC1)C)C#N	PC-id_8729915	362.443	VVAKMKBUJCYUHC-RISCZKNCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-087783
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)[C@@H]1OCCC1)C)C#N	PC-id_8729919	362.443	VVAKMKBUJCYUHC-SMDDNHRTSA-N	00000010100000000100000000000010000000000000000000000000	31-01-087784
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)[C@@H]1OCCC1)C)C#N	PC-id_8729925	362.443	VVAKMKBUJCYUHC-BXUZGUMPSA-N	00000010100000000100000000000010000000000000000000000000	31-01-087785
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C1OCCC1)C)C#N	PC-id_84823630	362.443	VVAKMKBUJCYUHC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-087786
s1c2CCCCCCc2cc1C(=O)OCc1n(c(=O)n(c(=O)c1)C)C	PC-id_55474158	362.443	UOFULNFQZVGPCP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-087787
c12CN(CCCn1nc(CNC(=O)c1ccc(COC)s1)c2)C(=O)C	ZINC22_82157170,MCULE-5401271467,EMOLS-id_44449703,PC-id_70779774	362.447	SWMWJFXCNSEATC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087788
c12CN(CCCn1nc(CNS(=O)(=O)Cc1ccccc1)c2)C(=O)C	MCULE-3333771827,PC-id_70782476,ZINC22_85533929,EMOLS-id_44450641	362.447	HFDJWINTNJEVBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087789
c1(C(=O)Nc2sc(c(C(=O)OC)n2)CCC)c2CCCCCc2[nH]n1	MCULE-9017997139,EMOLS-id_323252400	362.447	QZPQWZFGMIXTCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087790
c1(C(=O)N(C)C)c2CCN(CCn2c(C)n1)S(=O)(=O)c1ccccc1	EMOLS-id_239582851,MCULE-6066233888	362.447	ZFRKOHGDBYAJFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087791
c1(C(=O)NCCS(=O)(=O)c2ccc(cc2)C)cc2n(CCCNC2)n1	ZINC22_65433293,MCULE-4944496497,EMOLS-id_32411824,PC-id_50971229	362.447	LJTKGGGMCONTDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087792
c1(C(=O)OC)c(C(C)C)sc(NC(=O)c2c3CCCCCc3n[nH]2)n1	ZINC22_96232318,PC-id_75356935,STOCK7S-47528,EMOLS-id_50400864,MCULE-7244745944,EMOLS-id_49249457	362.447	BYCSSKQCUGZBST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087793
c1(csc(CCC)n1)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	EMOLS-id_43084237,ZINC22_72409576,MCULE-6553947164,PC-id_56888699	362.447	GQYFDEDWCBQLKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087794
Cc1cc(C)c(c(c1)C)Nc1nc2-c(c1C#Cc1ccccc1)ccccc2	PC-id_101464832	362.466	DXXKYVKBCJRROG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-087914
C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc3c(s2)CCCCC3)C1=O	PC-id_52286661,ZINC22_48273522	362.447	YPFLIEIUKCQUKI-KRWDZBQOSA-N	00100010100000000101100000000010000000000000000000000000	31-01-087795
C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc3c(s2)CCCCC3)C1=O	ZINC22_48273525,PC-id_52286662	362.447	YPFLIEIUKCQUKI-QGZVFWFLSA-N	00100010100000000101100000000010000000000000000000000000	31-01-087796
Cc1ccccc1C(=O)N1CCCn2cnc(CNS(=O)(=O)C)c2C1	PC-id_97519513,ZINC22_96259429,EMOLS-id_44370410	362.447	VWFQSRZLVZAROA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087797
Cc1ccc(cc1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_44451823,MCULE-1639795335,ZINC22_82166273,PC-id_70785836	362.447	WFBKAOLFXLFCBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087798
Cc1cccc(c1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70744501,EMOLS-id_44437517,MCULE-3786553875,ZINC22_82115820	362.447	QLORSCIRQDCCKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087799
Cc1cccc(COC2CN(Cc3ccnn3C2)S(=O)(=O)C2CC2)n1	EMOLS-id_50007120	362.447	ALAUPWBSMROCII-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-087800
Cc1cccc(CO[C@H]2CN(S(=O)(=O)C3CC3)Cc3ccnn3C2)n1	ZINC22_247850640	362.447	ALAUPWBSMROCII-INIZCTEOSA-N	00100000100000101101000000000010000000000000000000000000	31-01-087801
Cc1cccc(CO[C@@H]2CN(S(=O)(=O)C3CC3)Cc3ccnn3C2)n1	ZINC22_247850641	362.447	ALAUPWBSMROCII-MRXNPFEDSA-N	00100000100000101101000000000010000000000000000000000000	31-01-087802
CC(C)CN(Cc1cscc1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135100338	362.447	CYIDCAIVEIWZOR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087803
C[C@H](NC(=O)c1cccc(S(=O)(=O)C)c1)c1nnc2n1CCCCC2	CoCoCo_4691940,ZINC22_29254227,PC-id_36440943	362.447	WUCOWAJBOPKMOS-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087804
C[C@@H](NC(=O)c1cccc(S(=O)(=O)C)c1)c1nnc2n1CCCCC2	PC-id_36440936,CoCoCo_4691939,ZINC22_29254220	362.447	WUCOWAJBOPKMOS-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087805
CC(=O)c1cccc(N(Cc2nnc3n2CCCCC3)S(=O)(=O)C)c1	MCULE-6621328924,EMOLS-id_276227426,ZINC22_576093582	362.447	YCFPDGSLSDLTOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087806
CC(=O)N1Cc2ccnn2C[C@@H](CCNS(=O)(=O)c2ccccc2)C1	ZINC22_247971570	362.447	YRUZXMWZCLZEGP-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087807
CC(=O)N1Cc2ccnn2C[C@H](CCNS(=O)(=O)c2ccccc2)C1	ZINC22_247971573	362.447	YRUZXMWZCLZEGP-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087808
CC(=O)Nc1cc(ccc1C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948499	362.447	APBDJGOEXWTIRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087809
CCS(=O)(=O)Nc1ccccc1C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318103862	362.447	GXXXLYHSVMSLOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087810
CN1N=C(CCC1=O)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2	MCULE-7938363286,EMOLS-id_16656567,CoCoCo_4347680,PC-id_16235014	362.447	ZNRFMXMOXAJITE-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-087811
CN(Cc1cccnc1)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317418076,MCULE-7428158151	362.447	NPRREKNUWMVBHU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087812
C[NH2+]/C(=CC(=N)C(C)(C)C)/C(=O)N1CCCn2c(C1)cc(c2)C(=O)NO	PC-id_144264811	362.447	NWTYKQVNDYXZJC-PYDVBCTCSA-O	00000000100000000101000000000010000000000000000000000000	31-01-087813
COc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1OC	MCULE-8763718820,PC-id_7877505,ZINC22_6098307,CoCoCo_3082158,EMOLS-id_3597918	362.447	WFVKDSQNAZYTRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087814
COc1ccc(OC)c(NC(=O)CSc2nnc3n2CCCCC3)c1	ZINC22_6098124,PC-id_7877382,MCULE-2896187056,EMOLS-id_25622639,CoCoCo_3082112	362.447	ZVOMQSGOMIXASE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087815
COC(=O)c1ccc(s1)NC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_316505223	362.447	HKHXDRKLEFWEOZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087816
COC(=O)c1c(C)[nH]c(c1C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3082003,CoCoCo_3082006	362.447	QTGJFIHEPCBMDC-XFXZXTDPSA-N	00000000110000000101000000000010000000000000000000000000	31-01-087817
COC(=O)c1c(C)[nH]c(c1C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3082004,CoCoCo_3082005	362.447	QTGJFIHEPCBMDC-FMIVXFBMSA-N	00000000110000000101000000000010000000000000000000000000	31-01-087818
COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc3n2CCCCC3)c1C	EMOLS-id_11883800,MCULE-4309230472,ZINC22_9451465,CoCoCo_3082002,PC-id_17395696	362.447	QYBXHRBOCDUTJR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-087819
CS(=O)(=O)Cc1c2CN(CCCn2cn1)C(=O)NCc1ccccc1	PC-id_134689488	362.447	KHGMZWPVLOABCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087820
CS(=O)(=O)Cc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1	PC-id_51185258,MCULE-6241033827,EMOLS-id_50554728,ZINC22_170040710	362.447	IRSHVTVWMBTTAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087821
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)NCCc1cccnc1	MCULE-6022267428,EMOLS-id_317415771	362.447	JTXOABMVGWODJN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087822
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)NCCc1ccncc1	MCULE-5403274684,EMOLS-id_317419356	362.447	CRNPEGVKQFEEEY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-087823
CS(=O)(=O)N1CCCn2nc(CNC(=O)Cc3ccccc3)cc2C1	PC-id_70735204,EMOLS-id_44434203,ZINC22_82108213,MCULE-3254764850	362.447	YKRSCHOKBUWOSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087824
n12CCC(CCc1nn(CC1CC1)c2=O)NS(=O)(=O)c1ccccc1	MCULE-7149023429,EMOLS-id_97099936	362.447	SDSSCFUOSAMGIJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-087825
n12CCN(CCc1nn(CC1CC1)c2=O)S(=O)(=O)Cc1ccccc1	MCULE-3297178824,EMOLS-id_168607829	362.447	ORRPSDODAJFVRQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-087826
NS(=O)(=O)c1ccc(CCNC(=O)c2c3c(CCCCC3)[nH]n2)cc1	EMOLS-id_335131463,MCULE-1400531713	362.447	RGKZPCUXVOZZHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087827
o1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCOC)C)CC2)ccc1C	PC-id_42435044	362.447	ZVBDTBRUOGUKIQ-AWEZNQCLSA-O	00000000101000000101000000000010000000000000000000000000	31-01-087828
o1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)ccc1C	PC-id_42435045	362.447	ZVBDTBRUOGUKIQ-CQSZACIVSA-O	00000000101000000101000000000010000000000000000000000000	31-01-087829
o1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)ccc1C	PC-id_74803241	362.447	ZVBDTBRUOGUKIQ-UHFFFAOYSA-O	00000000101000000101000000000010000000000000000000000000	31-01-087830
O=C(c1cc(cc(c1C)C)S(=O)(=O)N)N1CCCc2c(C1)cnn2C	EMOLS-id_101674697	362.447	JIWLFDAVFBMSBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087831
O=C(c1cccc(c1)S(=O)(=O)C)NC(c1nnc2n1CCCCC2)C	MCULE-3047550878,PC-id_42945139,EMOLS-id_27394760	362.447	WUCOWAJBOPKMOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087832
O=C(c1cc(C)c(c(c1)S(=O)(=O)N)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101847823	362.447	ALZAEQCVQTZIOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087833
Ic1c2n(CCCC[C@@H]2CCO)c(c1)C(=O)OC	PC-id_53359130	363.191	JDCYCJIFIZHKOU-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088277
O=C(c1noc2c1CCCCC2)Nc1scc(n1)CN1CCOCC1	EMOLS-id_100940304	362.447	JQWJVQMXFZRFNQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087834
O=C(CCS(=O)(=O)c1ccccc1)NCc1cc2CNCCCn2n1	PC-id_70755684,MCULE-3110579748,ZINC22_82125788,EMOLS-id_44441369	362.447	UFDIBUSTVPUYEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087835
O=C(CN1C(=O)NC(C1=O)(C)C1CC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_30670589,PC-id_47018016,MCULE-2945101638	362.447	YPFLIEIUKCQUKI-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-087836
O=C(N1CCCc2c(C1)cnn2C)c1ccc(cc1)S(=O)(=O)N(C)C	EMOLS-id_101668242	362.447	VFPVSJFCPYJGNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087837
O=C(N1CCCc2c(C1)cnn2C)CNc1ccc(cc1)S(=O)(=O)C	EMOLS-id_316690442	362.447	DPESZCJUGMAJGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087838
O=C(NNC(=O)c1cc2c(s1)CCCCC2)CCCc1onc(n1)C	MCULE-1277174090,PC-id_51114608,EMOLS-id_33348149	362.447	FYTJEQCEVAFHOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087839
OC(=O)CCc1nn2c(c1)CN(CCC2)C(=O)CCc1scnc1C	MCULE-5512315926,EMOLS-id_43155474,PC-id_56908620	362.447	OHEMAEXQIFQPPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087840
O=S1CCN(C(C1)c1cnn(c1)C)C(=O)c1noc2c1CCCCC2	EMOLS-id_111264653	362.447	PZKMDKXLHMWKFV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-087841
s1c(CC(=O)N2CCCn3nc(cc3C2)CCC(=O)O)c(nc1C)C	PC-id_56916009	362.447	TZRZIUXQYADDGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087842
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(OC)cc(OC)cc1	PC-id_7876672	362.447	BDCVYJAPQOQVAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087843
S(=O)(=O)(c1cc(C(=O)NCc2n3CCCCCc3nn2)c(cc1)C)C	PC-id_51266310	362.447	LAFRXWUIHKQIHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087844
S(=O)(=O)(c1c(C(=O)NCc2n3CCCCCc3nn2)cccc1)CC	PC-id_24676707	362.447	GWCXYTPDLKPCIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087845
S(=O)(=O)(c1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1)C	PC-id_60389549	362.447	RIILWGVWFGNUER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-087846
O=Cc1ccc(s1)c1cccc(n1)CNCc1nc2c([nH]1)CC=CC=C2	PC-id_142857974	362.448	LDAYKIZISMJALR-UHFFFAOYSA-N	00000000100100101111100000000010000000000000000000000000	31-01-087847
c12CN(CCCn1nc(CNC(=O)c1cnc(C)s1)c2)C(=O)N(C)C	MCULE-2043969242,EMOLS-id_44424165,ZINC22_82086875,PC-id_70706783	362.45	AYRMEDBZJLMWME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087848
c12CN(CCCn1nc(CNC(=O)c1sccc1N)c2)C(=O)N(C)C	ZINC22_82083086,PC-id_70704262,MCULE-6919634498,EMOLS-id_44423259	362.45	IIYVLLHNZUKQGO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-087849
c12CN(CCCn1nc(CNC(=O)c1scnc1C)c2)C(=O)N(C)C	MCULE-1489642370,EMOLS-id_44425313,ZINC22_82087892,PC-id_70709990	362.45	BUJGAJDNDDAFND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087850
c1(CN(C)C(=O)CCC(=O)Nc2nncs2)c2CCCCCc2[nH]n1	EMOLS-id_232831675,MCULE-6869758172,ZINC22_828087023	362.45	ZMXWIQWJDMQICU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087851
c1(C(=O)NCCc2cscn2)cn2c(CCN(CC2)C(=O)NCC)n1	ZINC22_1875251439,EMOLS-id_331136827,MCULE-7055705559	362.45	KUXXFXKOBLAGEL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087852
c1(C(=O)NCC(=O)Nc2sccn2)cc2n(CCCN(C(C)C)C2)n1	EMOLS-id_32369782,ZINC22_65370872,PC-id_50949098,MCULE-2664390033	362.45	CYJNWZMUFJBVKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087853
c1(SC(C)C(=O)NCc2nnc3CCCCCn23)nc(C)cc(=O)[nH]1	PC-id_90647954,EMOLS-id_50528057,MCULE-8162223598	362.45	PVWMRGYQHOJSBW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-087854
Cc1cc(=O)[nH]c(n1)S[C@@H](C)C(=O)NCc1nnc2n1CCCCC2	PC-id_136768136	362.45	PVWMRGYQHOJSBW-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-087855
Cc1cc(=O)[nH]c(n1)S[C@H](C)C(=O)NCc1nnc2n1CCCCC2	PC-id_136768137	362.45	PVWMRGYQHOJSBW-LLVKDONJSA-N	00000000100000100101000000000010000000000000000000000000	31-01-087856
CC1OC(CN(C1)C(=O)NC1CCn2c(CC1)nnn2)c1ccsc1	EMOLS-id_102165136	362.45	UISOMFGHYDFBIP-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-087857
Cc1snnc1C(=O)N1CCc2ncc(CN3CCOCC3)n2CC1	EMOLS-id_313780683,ZINC22_585110594	362.45	BVHUAVCKICLFLE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087858
CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)c1csnn1)CCC2	EMOLS-id_313788217,ZINC22_1565553354	362.45	VIAOTUCLTFNYGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087859
Cn1cnnc1SCC(=O)N1CCCn2c(cc(n2)C(C2CC2)O)C1	PC-id_91762433	362.45	MDDNLJNUYCAAEM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-087860
CS(=O)(=O)N1CCCn2nc(CNc3cc(C4CC4)ncn3)cc2C1	PC-id_70772929,ZINC22_82145827,MCULE-2932076401,EMOLS-id_44447287	362.45	VOUDSBGXYLDDML-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-087861
n12CCCNCc1cc(CCC(=O)NCCC(=O)Nc1sccn1)n2	EMOLS-id_43080863,PC-id_70719139,ZINC22_72408696,MCULE-9226892498	362.45	DMGLQQGFTUBUMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087862
OCc1cc2CN(CC(=O)Nc3nnc(s3)C3CCC3)CCCn2n1	MCULE-5478972156,PC-id_91767162,EMOLS-id_55622940	362.45	ZRAFWIQHQXIQIL-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-087863
O=C(N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O)CSc1nncn1C	PC-id_100013564	362.45	MDDNLJNUYCAAEM-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-087864
O=C(N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O)CSc1nncn1C	PC-id_100013565	362.45	MDDNLJNUYCAAEM-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-087865
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Cc1csc(n1)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183303	362.453	ABMLFLDIGONRQD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-087876
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s1c2CCCCCCc2cc1C(=O)NCCCN(CC(F)(F)F)C	PC-id_52609143	362.453	OUUGIGSODMUHDR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-087879
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CC(c1ccc(c2-c(c1)c(C)cc2C(=O)Oc1ccc(c(c1C)C)O)C)C	SCHEMBL5833673,PC-id_9799078	362.461	OBCKGALULOAHJC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-087881
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c12nnnn1CCCCC2C(=O)N1CCC(CC1)(CO)CN1CCCC1	EMOLS-id_55676939,MCULE-2678135183,PC-id_91785931	362.47	IDVKUPTWSFSCLT-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087949
C1CCCc2c(CC1)c(c(s2)NC(=O)CC1C(=O)NC(=N)S1)C#N	MCULE-7430694479,PC-id_137630247	362.47	UHGFFXIIDPVSJY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087950
CC1CCC(C(C1)C1CCCN1C(=O)NC1CCn2c(CC1)nnn2)O	EMOLS-id_102169042	362.47	KMVGVXWHPRLIOJ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-087951
Cc1nc(CSCC(=O)Nc2sc3c(c2C#N)CCCCC3)no1	EMOLS-id_44533907,PC-id_71893371,MCULE-7557416060,ZINC22_79143414	362.47	ZLHBVZYJDGZGNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087952
CC(C)c1nnc2CCN(CCn12)C(=O)C1CN(CCN(C)C)C(=O)C1	MCULE-3949815912,EMOLS-id_48441472,PC-id_72941226	362.47	UXHOIQGPLWROHW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087953
Brc1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51307424	363.252	SIOASHMQBOFRGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088299
CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)CC2	PC-id_97286741,ZINC22_95531781	362.47	UXHOIQGPLWROHW-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087954
CC(C)c1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)CC2	PC-id_97286742,ZINC22_95531782	362.47	UXHOIQGPLWROHW-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087955
CCC(CC)CN1CCc2nnc(CNC(=O)C3CCC(=O)N3)n2CC1	MCULE-9364450048,EMOLS-id_232748933,PC-id_118757002	362.47	DSJABJJHADHVDR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087956
CCC(CC)CN1CCc2nnc(CNC(=O)[C@@H]3CCC(=O)N3)n2CC1	ZINC22_822603721	362.47	DSJABJJHADHVDR-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087957
CCC(CC)CN1CCc2nnc(CNC(=O)[C@H]3CCC(=O)N3)n2CC1	ZINC22_822603724	362.47	DSJABJJHADHVDR-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087958
CCCN(C1C2CCOC2C1(C)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163453	362.47	BWJXGDHHRKQYOW-UHFFFAOYSA-N	00001010100000000101001000000010000000000000000000000000	31-01-087959
CCC(NC(=O)CN1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319131831	362.47	BMFPITZNYMEQKO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087960
C[C@@H](C(=O)N)N1CCCn2nc(CCC(=O)N3CCN(C)CC3)cc2C1	PC-id_96579655,ZINC22_82138961	362.47	RAMGUYGFHWXNIS-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087961
C[C@H](C(=O)N)N1CCCn2nc(CCC(=O)N3CCN(C)CC3)cc2C1	ZINC22_82138962,PC-id_96579656	362.47	RAMGUYGFHWXNIS-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087962
CCNC(=NCc1nnc2n1CCCCC2)N1CC(C(C1)C)C(=O)OC	PC-id_109632460	362.47	SHKBAWAORSMBPE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-087963
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(CC1)C(=O)OC	PC-id_111253667	362.47	AHUZHHLBDQZOTO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087964
CCOC(=O)C1CCCN(C1)C(=NC)NCc1nnc2n1CCCCC2	PC-id_110994569	362.47	XPPHMXNNWJTWJU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087965
CCOC(=O)C1CCN(CC1)C(=NC)NCc1nnc2n1CCCCC2	PC-id_111156945	362.47	DOVBFMQQTLUCFP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087966
CN=C(N1CCOC(C1)C1CCCO1)NCc1nnc2n1CCCCC2	PC-id_109684013	362.47	IZTCYWDTHSHHOF-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-087967
COCCn1cncc1CN1CCCn2nc(cc2C1)C(O)CN(C)C	EMOLS-id_55707114,PC-id_91796197,MCULE-4051902280	362.47	GXNSHUQFXBYDME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087968
COCCn1cncc1CN1CCCn2nc([C@@H](O)CN(C)C)cc2C1	ZINC22_223738010,PC-id_100301556	362.47	GXNSHUQFXBYDME-SFHVURJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087969
COCCn1cncc1CN1CCCn2nc([C@H](O)CN(C)C)cc2C1	ZINC22_230484047	362.47	GXNSHUQFXBYDME-GOSISDBHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087970
O=C1NCCCC/C=CCCCCCCc2n(CCCNC1=O)nnn2	SCHEMBL13192585	362.47	NMHKAPYZTVBPOF-RQOWECAXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-087971
O=C1NCCCn2nnnc2CCCCCCC=CCCCCNC1=O	PC-id_70855000	362.47	NMHKAPYZTVBPOF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-087972
O=C(c1cnc2n(c1=O)CCS2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110651298	362.47	PWCHYBLBHUMYRW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-087973
O=C([C@@H]1CCCCn2nnnc12)N1CCC(CO)(CN2CCCC2)CC1	ZINC22_222706627,PC-id_100132173	362.47	IDVKUPTWSFSCLT-OAHLLOKOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087974
O=C([C@H]1CCCCn2nnnc12)N1CCC(CO)(CN2CCCC2)CC1	ZINC22_222706685,PC-id_100132184	362.47	IDVKUPTWSFSCLT-HNNXBMFYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087975
O=C(N1CCCC1CN1CCOCC1)NCc1nnc2n1CCCCC2	EMOLS-id_303314470	362.47	ICVNCMMGKPTQFB-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087976
O=C(N1CCCCC1)CCNC(=O)NCCc1n2CCCCCc2nn1	PC-id_55793834	362.47	FKGNJIABMJQDQG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087977
O=C(N1CCC(CC1)OC1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102159058	362.47	HGVJCYYLVAITPK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087978
O=C(N1CCC[C@H]1CN1CCOCC1)NCc1nnc2n1CCCCC2	EMOLS-id_99652092	362.47	ICVNCMMGKPTQFB-HNNXBMFYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087979
O=C(N1CCN(CC1)CC1CCOC1)NCc1nnc2n1CCCCC2	MCULE-9612452280,EMOLS-id_189693238	362.47	GUVKBECQMUWSNZ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087980
O=C(N1CCN(CC1)C(C)C)CCNC(=O)c1nn2CCCNCc2c1	PC-id_50950399	362.47	QAABRIOEHUWJEC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087981
O=C(NC1CCCCC1)NCC(=O)NCCc1n2CCCCCc2nn1	PC-id_60544037	362.47	MAGQHLRRNXZTQA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-087982
O=C(NCc1nnc2n1CCCCC2)N1CCN(C[C@@H]2CCOC2)CC1	ZINC22_175603380	362.47	GUVKBECQMUWSNZ-HNNXBMFYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087983
O=C(NCc1nnc2n1CCCCC2)N1CCN(C[C@H]2CCOC2)CC1	ZINC22_175603401	362.47	GUVKBECQMUWSNZ-OAHLLOKOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-087984
s1c2c(CCCCC2)c(c1NC(=S)Nc1nccnc1)C(=O)OC	PC-id_20181064	362.47	JJHOSBXDBUJTSP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-087985
s1c2CCCCCCc2c(c1NC(=O)C[C@H]1SC(=NC1=O)N)C#N	PC-id_40565744	362.47	UHGFFXIIDPVSJY-GFCCVEGCSA-N	00000011100000000101000000000010000000000000000000000000	31-01-087986
s1c2CCCCCCc2c(c1NC(=O)C[C@@H]1SC(=NC1=O)N)C#N	PC-id_40565745	362.47	UHGFFXIIDPVSJY-LBPRGKRZSA-N	00000011100000000101000000000010000000000000000000000000	31-01-087987
Cc1ccnc(c1CNc1ccc(cc1)Cc1nnc2n1CCCCC2)N	EMOLS-id_316511650	362.471	ZUJWMBYTVKOTGP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087988
CCCc1nc2=CC(C=C(C=c2[nH]1)N(CC)c1cc2c(cc1)nc([nH]2)N)C	PC-id_91586838	362.471	MOXPZXGYTOFUJO-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-087989
CN(C)c1ccc(CN2CCc3nnc(Cc4ccccc4)n3CC2)cn1	MCULE-4788800267,PC-id_91843210,ZINC22_244673678,EMOLS-id_55705194	362.471	HTSJXKBURCACBG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-087990
Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1N	PC-id_8852475,ZINC22_7737478,EMOLS-id_11334230,CHEMBL1328595,CoCoCo_2997962,MCULE-1739569930	362.473	OSTGWZQTYGWEKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087991
CCc1nn2c(=O)cc(CSc3nnc4n3CCCCC4)nc2s1	CoCoCo_4173127,EMOLS-id_16780213,PC-id_17534946,ZINC22_12750280,MCULE-2438607048	362.473	OYOAQAYRZGXEPB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-087992
C[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4171042,ZINC22_8156319,CoCoCo_4171040,PC-id_9291563,CoCoCo_4171044	362.473	RFJFUULJRPODHH-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087993
C[C@H](Sc1n[nH]c(N)n1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_8156318,PC-id_9291562,CoCoCo_4171045,CoCoCo_4171043,CoCoCo_4171041	362.473	RFJFUULJRPODHH-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087994
C[C@@H](Sc1nnnn1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_9438482,ZINC22_8313083,CoCoCo_4171603	362.473	NPKVPMJHMSSMHH-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087995
C[C@H](Sc1nnnn1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_8313081,PC-id_9438480,CoCoCo_4171602	362.473	NPKVPMJHMSSMHH-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-087996
Cn1nnnc1SCCC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_15263053,GD-id_ZINC07445410,ZINC22_7445410,MCULE-1099270330,CoCoCo_3570560,PC-id_8541825	362.473	CTYJBXHNFWNZGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087997
N#Cc1c(NC(=O)C(Sc2nnc([nH]2)N)C)sc2c1CCCCC2	EMOLS-id_11770405,MCULE-1044206807,PC-id_16332321	362.473	RFJFUULJRPODHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087998
N#Cc1c(NC(=O)C(Sc2nnnn2C)C)sc2c1CCCCC2	PC-id_16328072,MCULE-9799160509,EMOLS-id_11764058	362.473	NPKVPMJHMSSMHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-087999
s1c2CCCCCCc2c(c1NC(=O)CSc1nc([nH]n1)N)C#N	PC-id_3483321	362.473	WWILZZVTYDVPAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088000
s1c2CCCCCCc2c(c1NC(=O)CSc1n(nnn1)C)C#N	PC-id_17268012	362.473	HPXGJAUZNRIUPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088001
S(=O)(=O)(OC1CC(=Cc2oc(CC(CCC#C1)C(=C)C)c(c2)C)C)C	PC-id_74822246	362.483	PVEBFHDKVGGIDD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-088002
S(=O)(=O)(O[C@H]1C/C(=C/c2oc(C[C@H](CCC#C1)C(=C)C)c(c2)C)/C)C	PC-id_10690040	362.483	PVEBFHDKVGGIDD-WSAUZFIISA-N	00000000100000000110000000000010000000000000000000000000	31-01-088003
S(=O)(=O)(O[C@H]1[C@H](c2oc(C[C@@H](CCC#C1)C(=C)C)c(c2)C)C(=C)C)C	PC-id_10090051	362.483	HVLPNVFJCRVOFV-MBOZVWFJSA-N	00000000100000000110000000000010000000000000000000000000	31-01-088004
S(=O)(=O)(O[C@@H]1[C@@H](c2oc(C[C@H](CCC#C1)C(=C)C)c(c2)C)C(=C)C)C	PC-id_10761159	362.483	HVLPNVFJCRVOFV-ZWOKBUDYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-088005
c1(c2CCCCCCc2sc1NC(=O)C1CCCO1)C(=O)NC1CC1	PC-id_17173826,EMOLS-id_13330632,MCULE-9067483613,TIMTEC58040	362.486	APWGDJHIFBUIHP-UHFFFAOYSA-N	00100010100000000100000000000010000000000000000000000000	31-01-088006
COCCC1CN(Cc2ccc(cc2)S(=O)(=O)C)Cc2cccn2C1	EMOLS-id_313748917	362.486	FLZOFYJKKRVWFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088007
COCC[C@H]1CN(Cc2ccc(S(=O)(=O)C)cc2)Cc2cccn2C1	ZINC22_585095093	362.486	FLZOFYJKKRVWFR-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088008
COCC[C@@H]1CN(Cc2ccc(S(=O)(=O)C)cc2)Cc2cccn2C1	ZINC22_585095094	362.486	FLZOFYJKKRVWFR-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088009
O=C(NC1CC1)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCCCC2	CoCoCo_1070447,PC-id_42546223,ZINC22_12343554	362.486	APWGDJHIFBUIHP-AWEZNQCLSA-N	00100010100000000100000000000010000000000000000000000000	31-01-088010
O=C(NC1CC1)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCCCC2	ZINC22_12343555,CoCoCo_1070446,PC-id_42546224	362.486	APWGDJHIFBUIHP-CQSZACIVSA-N	00100010100000000100000000000010000000000000000000000000	31-01-088011
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)C(=O)C1OCCC1	PC-id_51173065	362.486	BMMCRGKVLQSPNT-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-088012
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)C(=O)[C@H]1OCCC1	PC-id_52176612	362.486	BMMCRGKVLQSPNT-HNNXBMFYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-088013
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)C(=O)[C@@H]1OCCC1	PC-id_52176613	362.486	BMMCRGKVLQSPNT-OAHLLOKOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-088014
s1c2CCCCCc2cc1C(=O)OC(C(=O)NC(C(C)C)(C)C#N)C	PC-id_45647903	362.486	KZTRBAZKVVJVSC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088015
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)CCC(C)C)C)C#N	PC-id_8575843	362.486	FEIQYFDLOAPFBI-ZDUSSCGKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088016
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)CCC(C)C)C)C#N	PC-id_8575847	362.486	FEIQYFDLOAPFBI-CYBMUJFWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088017
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCC(C)C)C)C#N	PC-id_78727938	362.486	FEIQYFDLOAPFBI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088018
s1c2CCCCCCc2cc1C(=O)OCC(=O)N[C@](C(C)C)(C)C#N	PC-id_7618368	362.486	VSBMIAJGTWCJPL-LJQANCHMSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088019
s1c2CCCCCCc2cc1C(=O)OCC(=O)N[C@@](C(C)C)(C)C#N	PC-id_7618376	362.486	VSBMIAJGTWCJPL-IBGZPJMESA-N	00000000100000000100000000000010000000000000000000000000	31-01-088020
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(C(C)C)(C)C#N	PC-id_78513520	362.486	VSBMIAJGTWCJPL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088021
s1c2c(CCCCCC2)c(c1NC(=O)CC(CC)(CC)C(=O)O)C#N	PC-id_60531390	362.486	DRZUYVSBUXCJGX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088022
C1COc2c(sc(c2OC1)C(=O)NCCS)C(=O)NCCS	PC-id_89252523,SCHEMBL14124259	362.488	KXOLMBQZQCESHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088023
c1(sc2c(CCCCC2)n1)NC(=O)C(c1ccccc1)c1ccccc1	MCULE-1958040969,EMOLS-id_323469600	362.488	NXPPWEPKHDNFFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088024
CC(c1ccc2-c1ccccc2)NCCCc1cnoc1c1cccs1	PC-id_68817706,SCHEMBL3861282	362.488	SZURYLVDIQGCKA-UHFFFAOYSA-N	00000010100100000111100000000010000000000000000000000000	31-01-088025
Fc1ccccc1N1CC[NH+](CC1)Cn1nc2n(c1=S)CCCCC2	GD-id_ZINC16077848	362.488	SUMYVBWDTJUJIL-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-088026
O=C(c1csc2c1CCCCC2)Nc1ccc(cc1)Cc1ccncc1	PC-id_144271475	362.488	FLAYTULHYNMBDE-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-088027
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)c1ccc(F)cc1	PC-id_8145471	362.488	CIWIVASJZWWYNJ-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-088028
c12CN(CCC)CCCn1nc(CNC(=O)c1ccc(CSC)o1)c2	MCULE-6613257514,PC-id_70724004,ZINC22_82098610,EMOLS-id_44430255	362.49	MYKCWGXUSNUHHC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-088029
c12CN(CCC)CCCn1nc(CNS(=O)(=O)Cc1ccccc1)c2	ZINC22_82121316,EMOLS-id_44440019,MCULE-8249132938,PC-id_70751786	362.49	AUGZGKXIZZSKEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088030
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc(cc1)CC	PC-id_70727691,MCULE-4589012494,EMOLS-id_44431523,ZINC22_82100210	362.49	FVMFZGWKOYSDCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088031
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccccc1CC	ZINC22_82108777,PC-id_70737065,EMOLS-id_44434847,MCULE-8012928971	362.49	VWKGXYXDXBVKEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088032
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc(c(C)c1)C	EMOLS-id_44428483,ZINC22_82098371,MCULE-3702291234,PC-id_70719046	362.49	RAZOFOZCMCPNJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088033
Brc1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_51307440	363.252	CWONQAVSKQPJDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088300
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1cc(C)ccc1C	EMOLS-id_44434065,MCULE-8811533148,ZINC22_82108126,PC-id_70734867	362.49	FJNUMOIHBXQIJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088034
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1c(C)cccc1C	EMOLS-id_44439289,PC-id_70749679,ZINC22_82120814,MCULE-6237338768	362.49	RVKWVRRJMSFDEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088035
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1cc(C)cc(C)c1	EMOLS-id_44432949,MCULE-3761613775,ZINC22_82107173,PC-id_70731609	362.49	ABADATOZEBENBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088036
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)CC(C)c1ccccc1	PC-id_70710571,MCULE-1532077940,EMOLS-id_44425531	362.49	YJOVAYNPEFOWBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088037
Cc1cccc(S(=O)(=O)N2Cc3ccnn3C[C@@H](CCN(C)C)C2)c1	ZINC22_248126761	362.49	OWZSYUDSDXQRBB-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088038
Cc1cccc(S(=O)(=O)N2Cc3ccnn3C[C@H](CCN(C)C)C2)c1	ZINC22_248126764	362.49	OWZSYUDSDXQRBB-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088039
CC(C)CN1CCCn2nc(CNS(=O)(=O)c3ccccc3)cc2C1	ZINC22_82109233,MCULE-2199137402,EMOLS-id_44435609,PC-id_70739198	362.49	FJIDWWBGYZQWPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088040
C=CCN1CCC(C1=O)N(C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_101100902	362.49	KDSNQTWQOUYVIV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-088041
CCCN1CCCn2nc(CNS(=O)(=O)c3ccc(C)cc3)cc2C1	PC-id_70771708,ZINC22_82139105,MCULE-1317690298,EMOLS-id_44446871	362.49	LDDRTOLMPMPPSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088042
CC(C)NC(=O)CN(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_43936406,MCULE-5248741863,PC-id_27651495,ZINC22_17306408	362.49	ICMQLZBJMQMVTM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088043
C[C@@H](CN1CCCn2nc(CNS(=O)(=O)C)cc2C1)c1ccccc1	ZINC22_82091299,PC-id_96571985	362.49	YJOVAYNPEFOWBE-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088044
C[C@H](CN1CCCn2nc(CNS(=O)(=O)C)cc2C1)c1ccccc1	ZINC22_82091301,PC-id_96571986	362.49	YJOVAYNPEFOWBE-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088045
CC(N(C)CC(=O)N(C)C)C(=O)Nc1sc2CCCCCc2c1C#N	EMOLS-id_337903401	362.49	HDBDWPFGJPGUBI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088046
CN(C)CC1CN(Cc2ccc(cc2)S(=O)(=O)C)Cc2ccnn2C1	EMOLS-id_50376783	362.49	IHDWJFXDGVCUSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088047
CN(C(C)C)Cc1ncn2c1CN(CCC2)S(=O)(=O)c1ccccc1	PC-id_97519347	362.49	ZSYLCDRSDUYZDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088048
CN(C)C[C@H]1CN(Cc2ccc(S(=O)(=O)C)cc2)Cc2ccnn2C1	ZINC22_248104097	362.49	IHDWJFXDGVCUSV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088049
CN(C)C[C@@H]1CN(Cc2ccc(S(=O)(=O)C)cc2)Cc2ccnn2C1	ZINC22_248104101	362.49	IHDWJFXDGVCUSV-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088050
CN(CCC(=O)Nc1sc2CCCCCc2c1C#N)CC(=O)N(C)C	PC-id_33066297,EMOLS-id_337902382	362.49	ZONHNBLQHBKIOK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088051
CN(C)C(=O)COCCC1CN(Cc2nccs2)Cc2cccn2C1	EMOLS-id_313836582	362.49	FMIWJCIWKGOUES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088052
CN(C)C(=O)COCC[C@H]1CN(Cc2nccs2)Cc2cccn2C1	ZINC22_585095095	362.49	FMIWJCIWKGOUES-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088053
CN(C)C(=O)COCC[C@@H]1CN(Cc2nccs2)Cc2cccn2C1	ZINC22_585095096	362.49	FMIWJCIWKGOUES-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088054
COc1ccc(CN(C)Cn2nc3n(c2=S)CCCCC3)c(OC)c1	PC-id_31582706,CoCoCo_3449188,CoCoCo_3449189,ZINC22_24103873,EMOLS-id_25627949,MCULE-1517823552	362.49	OVPIIAVGQAFJGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088055
COCCn1c(C)cc(c1C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3081554,CoCoCo_3081557	362.49	QVXHABNLIQGDSS-VBKFSLOCSA-N	00000000110000000101000000000010000000000000000000000000	31-01-088056
COCCn1c(C)cc(c1C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3081556,CoCoCo_3081555	362.49	QVXHABNLIQGDSS-FOWTUZBSSA-N	00000000110000000101000000000010000000000000000000000000	31-01-088057
COCCn1c(C)cc(C(=O)CSc2nnc3n2CCCCC3)c1C	MCULE-6798608046,EMOLS-id_13513268,ZINC22_6097334,PC-id_7876816,CoCoCo_3081553	362.49	PGVRFJBFXKFODU-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-088058
COCCN(Cc1ccsc1)C(=O)NCc1n[nH]c2c1CCCCC2	EMOLS-id_177362126,MCULE-2246736855,PC-id_121494861,ZINC22_426370910	362.49	FSWFHNXLHOGVPO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-088059
COCCNC(=O)CC1CN(Cc2scnc2C)Cc2cccn2C1	EMOLS-id_313813282	362.49	BAVMSLIPGIMMPX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088060
COCCNC(=O)C[C@H]1CN(Cc2scnc2C)Cc2cccn2C1	ZINC22_585099015	362.49	BAVMSLIPGIMMPX-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088061
COCCNC(=O)C[C@@H]1CN(Cc2scnc2C)Cc2cccn2C1	ZINC22_585099016	362.49	BAVMSLIPGIMMPX-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088062
COCC(=O)NCCC1CN(Cc2sccc2C)Cc2ccnn2C1	EMOLS-id_50375353	362.49	KJNBDAXFEVVBGP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-088063
COCC(=O)NCC[C@H]1CN(Cc2sccc2C)Cc2ccnn2C1	ZINC22_253599048	362.49	KJNBDAXFEVVBGP-HNNXBMFYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-088064
COCC(=O)NCC[C@@H]1CN(Cc2sccc2C)Cc2ccnn2C1	ZINC22_253599049	362.49	KJNBDAXFEVVBGP-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-088065
O=C(N1CCCC1C(=O)NC1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101101097	362.49	FZLHLIPJABEDQD-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-088066
O=C(Nc1nc2c(s1)CCCCC2)NC1CCN(CC1)C(=O)C1CC1	EMOLS-id_98018298	362.49	QMKPLKAWZKITHU-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-088067
s1c2CCCCCc2c(c1NC(=O)CCN(C(C)C)CC(=O)N)C#N	PC-id_27119738	362.49	HBQUOIGJWRHSON-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088068
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)CCO)C#N	PC-id_52446655	362.49	NJBHYFLABZCNBY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088069
s1c2CCCCCCc2nc1NC(=O)CCCc1onc(n1)C(C)C	PC-id_56021217	362.49	QHGTVBYJTRLWIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088070
S=C1NC(CNc2c1nn(c2)CCc1ccccc1)Cc1ccccc1	SCHEMBL3467546,PC-id_75217783	362.491	BSMFINPXLNHQIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088071
S=C1N[C@@H](CNc2c1nn(c2)CCc1ccccc1)Cc1ccccc1	PC-id_46840718,SCHEMBL3467544	362.491	BSMFINPXLNHQIE-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088072
c1(C(C(C)C)NC(=O)Cc2c(C)sc(C)n2)nnc2CCNCCn12	PC-id_56703784,MCULE-2909459717,EMOLS-id_36426860	362.493	RQGJRUQJYLBTPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088073
Cc1cc(C)n(CCCNC(=O)CSc2nnc3n2CCCCC3)n1	CoCoCo_3654389,PC-id_8010762,MCULE-9149666501,EMOLS-id_3517525,ZINC22_6606935	362.493	VPJNWFVHNPETBJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088074
Cc1nc(CC(=O)N[C@@H](c2nnc3n2CCNCC3)C(C)C)c(C)s1	ZINC22_67588521,PC-id_95194284	362.493	RQGJRUQJYLBTPO-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088075
Cc1nc(CC(=O)N[C@H](c2nnc3n2CCNCC3)C(C)C)c(C)s1	ZINC22_67588523,PC-id_95194285	362.493	RQGJRUQJYLBTPO-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088076
CCn1ncc(c1)C1CS(=O)CCN1Cc1nnc2n1CCCCC2	EMOLS-id_100556984	362.493	ZFJCIZPBYSRQGM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-088077
Cn1nc(C(C)(C)C)cc1NC(=O)CSc1nnc2n1CCCCC2	PC-id_51120250,ZINC22_53418377,EMOLS-id_32037868,MCULE-2316787232	362.493	QGNIQKFTHWAMSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088078
CN(CCn1ccc(n1)NC(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_101066485	362.493	HXMYHSXTCDOFSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088079
O=C(CSc1nccn1C(C)(C)C)NCc1nnc2n1CCCCC2	EMOLS-id_98539386	362.493	VLOWESARUUOKGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088080
s1c2CCCCCCCCCCc2nc1NC(=O)CNn1cnnc1	PC-id_30376703	362.493	USKVDNKBKXHDJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088081
S(c1n2CCCCCc2nn1)C(C(=O)Nc1n(ncc1)C(CC)C)C	PC-id_78559203	362.493	WGOHCIUDYLOJLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088082
S(c1n2CCCCCc2nn1)[C@@H](C(=O)Nc1n(ncc1)[C@@H](CC)C)C	PC-id_7876587	362.493	WGOHCIUDYLOJLB-CHWSQXEVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088083
S(c1n2CCCCCc2nn1)[C@@H](C(=O)Nc1n(ncc1)[C@H](CC)C)C	PC-id_7876589	362.493	WGOHCIUDYLOJLB-QWHCGFSZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088084
S(c1n2CCCCCc2nn1)[C@H](C(=O)Nc1n(ncc1)[C@@H](CC)C)C	PC-id_7876590	362.493	WGOHCIUDYLOJLB-OLZOCXBDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088085
S(c1n2CCCCCc2nn1)[C@H](C(=O)Nc1n(ncc1)[C@H](CC)C)C	PC-id_7876592	362.493	WGOHCIUDYLOJLB-STQMWFEESA-N	00000000100000000101000000000010000000000000000000000000	31-01-088086
CN=C(NCc1nnc2n1CCCCC2)NCc1nnc(s1)C(C)C	PC-id_120058957	362.496	IOWAUUYWRQUNHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088087
c12-c(c(cc(cc1/C=C/C=C/c1c3-c(c(cc(c1)C)C)ccc3)C)C)ccc2	PC-id_5375338	362.506	GWUKKNVDPGYAOC-NXZHAISVSA-N	00000010100000000110000000000010000000000000000000000000	31-01-088088
c12-c(c(cc(cc1C=CC=Cc1c3-c(c(cc(c1)C)C)ccc3)C)C)ccc2	PC-id_606483	362.506	GWUKKNVDPGYAOC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-088089
CCOC(=O)C(=O)c1nc2c(n1C)CCCCCCCCCCCCC2	PC-id_134842698	362.506	FYTXHOHFEWLDRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088090
COc1cc(C[NH2+]Cc2cc3c(s2)CCCCC3)cc(c1OC)OC	GD-id_ZINC51188899	362.506	FJJXYQJLHQEBDD-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-088091
COc1c(OC)ccc(c1OC)C[NH2+]Cc1cc2c(s1)CCCCC2	GD-id_ZINC51188900	362.506	NTNYBIBROYGJFL-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-088092
CC(C(C(=O)N1CCCc2c(C1)ccs2)NC(=O)c1cccs1)C	EMOLS-id_318172374	362.509	SJKGRZXECMTBNZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088093
CSCOc1ccc(cc1OC)/C=C/c1nc2c(s1)NCCCC2	PC-id_15069554,SCHEMBL8313195	362.509	ZVRTWYBYIHWJAN-VQHVLOKHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088094
O=C(c1cc2c(s1)CCCCC2)Nc1ncc(s1)C1CCOCC1	EMOLS-id_101302176	362.509	UCXJJTXJTVSBEX-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-088095
O=C(c1cc2c(s1)CCCCC2)Nc1scc(n1)C1CCOCC1	EMOLS-id_98818739	362.509	VJBARHIKOLLFNN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-088096
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCc1sccc1	PC-id_29911334	362.509	IPNSRIXKYDPNNA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088097
s1c2c(CCCCC2)c(c1NC(=O)c1sc(c(c1)C)CC)C(=O)N	PC-id_60388350	362.509	SCRNHPHMRMJAKR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088098
s1c2CCCCCc2nc1NC(=O)CCC(=O)c1c(sc(c1)C)C	PC-id_24611805	362.509	VYEWJAMBTRGLKB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-088099
s1c2CCCCCc2nc1NC(=O)CCSc1ccc(OC)cc1	PC-id_55507814	362.509	BDAUPQPSYBCLFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088100
s1c2CCCCCCc2cc1C(=O)Nc1sc(c(c1C(=O)N)C)C	PC-id_56501961	362.509	ZNEUAZHKYWXDOE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088101
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1ccsc1	PC-id_30494223	362.509	QWVGEIXLIMDJOY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088102
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1sccc1	PC-id_24553551	362.509	VEUMWWLMUIHTMU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088103
s1c2NCCCCc2nc1C=Cc1cc(OC)c(OCSC)cc1	PC-id_54568716	362.509	ZVRTWYBYIHWJAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088104
c12CN(CCCn1nc(CNC(=O)[C@H](O)C1CCCCC1)c2)CC(C)C	EMOLS-id_44445825,MCULE-7801487060,ZINC22_82138361,PC-id_70768494	362.51	OMOZSARSMDRIST-LJQANCHMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088105
c1(C(O)C2CC2)cc2n(CCCN(CC(C)(C)CN3CCOCC3)C2)n1	PC-id_90652383,EMOLS-id_50544411,MCULE-7311502947	362.51	UZNMIZTUSBQELN-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-088106
CC(C)(CN1CCOCC1)CN1CCCn2nc([C@H](O)C3CC3)cc2C1	PC-id_100066804,ZINC22_221299312	362.51	UZNMIZTUSBQELN-LJQANCHMSA-N	00100000100010000101000000000010000000000000000000000000	31-01-088107
CC(C)(CN1CCOCC1)CN1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_221299388,PC-id_100066805	362.51	UZNMIZTUSBQELN-IBGZPJMESA-N	00100000100010000101000000000010000000000000000000000000	31-01-088108
CC(=O)[C@]1(C)CCCc2cnnn2CCCCCCC(C(=O)CN1)(C)C	SCHEMBL13575412,PC-id_58027960	362.51	DQAMBACNQNZIIL-FQEVSTJZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088109
O=C1C(CCCCCCn2nncc2CCCC(NC1)(C)C(=O)C)(C)C	PC-id_76667578	362.51	DQAMBACNQNZIIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088110
OC(C1CCCCC1)C(=O)NCc1nn2c(CN(CCC2)CC(C)C)c1	PC-id_78086008	362.51	OMOZSARSMDRIST-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088111
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCC(CC1)CO)C#N	PC-id_52234906	362.51	RILCVBAXPZHASN-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-088112
s1c(C(=O)N2CC[NH+](CC2)CC(=O)NC2CC2)cc2c1CCCCC2	PC-id_41099016	362.51	FFGFXZFLRVIALW-UHFFFAOYSA-O	00100000100010000101000000000010000000000000000000000000	31-01-088113
Brc1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_51307422	363.252	GKCSOEHLQOEOGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088301
CC1(C)[C@@H]2CC=C([C@H]1C2)CN1CCc2n(CC1)c(nn2)Cc1ccccc1	CoCoCo_1399448,CoCoCo_1399449	362.511	JZKQCLRXTADOFO-WOJBJXKFSA-N	00001000100011110101001000000010000000000000000000000000	31-01-088114
CC1(C)[C@H]2CC=C(CN3CCc4nnc(Cc5ccccc5)n4CC3)[C@@H]1C2	CoCoCo_1399450,CoCoCo_1399451,ZINC22_14997028,EMOLS-id_26008015,PC-id_26352747,MCULE-6125615172,ChEMBL-DNDi_CHEMBL47423061	362.511	JZKQCLRXTADOFO-PMACEKPBSA-N	00001000100011110101001000000010000000000000000000000000	31-01-088115
N1(CC2=CCC3C(C2C3)(C)C)CCn2c(nnc2Cc2ccccc2)CC1	PC-id_74501091	362.511	JZKQCLRXTADOFO-UHFFFAOYSA-N	00001000100011110101001000000010000000000000000000000000	31-01-088116
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)CC1CCCN(CC)C1	EMOLS-id_44452205,PC-id_70786919,MCULE-4078051997	362.513	KWQGXAZTJSUIAU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088117
Cc1nc2c(s1)N(C(=O)c1csc(C[C@H]3CCNC3)n1)CCCC2	ZINC22_1875405279	362.513	BTHKALOSMLFPTI-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-088118
Cc1nc2c(s1)N(C(=O)c1csc(C[C@@H]3CCNC3)n1)CCCC2	ZINC22_1875405280	362.513	BTHKALOSMLFPTI-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-088119
CCN1CCC[C@H](CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)C1	PC-id_96582132,ZINC22_82166924	362.513	KWQGXAZTJSUIAU-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088120
CCN1CCC[C@@H](CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)C1	PC-id_96582133,ZINC22_82166925	362.513	KWQGXAZTJSUIAU-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088121
CC(N1CCN(CC1)CCC(=O)N(Cc1nnc2n1CCCCC2)C)C	EMOLS-id_316702033	362.513	BPDHKWHEBTWAJT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088122
CCNC(=NCC1(C)CCCO1)NCCCc1nnc2n1CCCCC2	PC-id_109595202	362.513	NIJRJBBAZAHUND-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-088123
CCNC(=NCc1nnc2n1CCCCC2)N(CCC1CCOCC1)C	PC-id_109716841	362.513	KFRIIJOMGFQRHU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088124
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCC(CC1)O	PC-id_111189856	362.513	BTGKHNGJDGLXIU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088125
CCNC(=NCCCc1nnc2n1CCCCC2)N(CC1CCOC1)C	PC-id_109385036	362.513	NMZXLAPIDSXLLL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-088126
CCNC(=NCCCOCC1CC1)NCCc1nnc2n1CCCCC2	PC-id_111391817	362.513	TXVHJRIDQQLJGM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-088127
CCOC1CCN(CC1)C(=NCCc1nnc2n1CCCCC2)NCC	PC-id_111959875	362.513	AUURGZVVDXPHJH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088128
CCOCC1CCN(C1)C(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112083489	362.513	AWVDXPRTBLMCAJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-088129
CN=C(N1CCC(CC1)OC(C)(C)C)NCc1nnc2n1CCCCC2	PC-id_120064345	362.513	LJIDBHQJZLERKF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088130
CN=C(NCc1nnc2n1CCCCC2)NCCCOC1CCCCC1	PC-id_111397051	362.513	QPDSZJWNHSLVFD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088131
CN=C(NCc1nnc2n1CCCCC2)NCCOC1CCCCCC1	PC-id_111575357	362.513	VNIGHBXEDSAJKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088132
CN=C(NCCCOCC1CC1)NCCCc1nnc2n1CCCCC2	PC-id_111393013	362.513	RDUFTMJMXLQHEA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-088133
CN=C(N(CCOCC1CC1)C)NCCCc1nnc2n1CCCCC2	PC-id_109649925	362.513	MLQCTBFBJYRRHH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-088134
COCCC1(CCC1)CNC(=NCc1nnc2n1CCCCC2)NCC	PC-id_109790574	362.513	FXZZAAGAECTOLP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-088135
COCCC1(CCC1)CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_109790606	362.513	GOGCRKWOFCEOBK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-088136
COCCC1(CCCC1)CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_109775892	362.513	GQYHXNQUXJJNNY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-088137
O=C1NCCCCn2nnnc2CCCCCCC/C=CCCCCN1	PC-id_118528254,SCHEMBL17278393	362.513	WHCSVHBOXYNODN-HYXAFXHYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-088138
O=C(NC1CC(C)(C)NC(C1)(C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_98073625	362.513	LPVWPJFHAVQARO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088139
O=C(NCCc1n[nH]c(=S)n1C1CC1)c1cc2c(s1)CCCCC2	PC-id_95179411,ZINC22_67093815,EMOLS-id_50318541,MCULE-9183705753	362.513	IQJUIGRHPKIIRK-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-088140
O=C(NCCCN1CCCCCC1)NCCc1n2CCCCCc2nn1	PC-id_52273978	362.513	ZGHALPRFGFLDBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088141
O=C(NCCCNC1CCCCC1)NCCc1n2CCCCCc2nn1	PC-id_52184302	362.513	DWGCNNZNRFVOFD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088142
s1c2CCCCCCc2cc1C(=O)NN=C(c1c(nsc1N)C)C	PC-id_85000396	362.513	HWRSADBSOFMIGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088143
s1c2CCCCCCc2cc1C(=O)N/N=C(c1c(nsc1N)C)/C	PC-id_9395749	362.513	HWRSADBSOFMIGK-GRSHGNNSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088144
s1c2CCCCCCc2nc1NC(=O)CSc1nc(cc(n1)C)C	PC-id_56022238	362.513	NKLQOAFCCUYXMS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-088145
S1CCN(Cc2nn3c(CN(CCC3)C(=O)c3ccsc3)c2)CC1	PC-id_70749147	362.513	SXUMDLVJSJUPHE-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-088146
CCCCOS(=O)(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCC	PC-id_101676365	362.526	PFLDXXNPJORJJQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-088147
c1(NC(=O)CCC2CCCCC2)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_684403,MCULE-2035068715,TIMTEC449842,ZINC22_995163,EMOLS-id_2096323,PC-id_1220176	362.529	SJNPCNJUVMCVPC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088148
CC1CCC(N(C(=O)Cn2c3c(sc2=O)CCCCC3)C2CC2)CC1	EMOLS-id_50561428,ZINC22_113250336,PC-id_99123492,MCULE-2073256820	362.529	BPVFHVQYIAUUAD-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-088149
CCNC(=O)C1(NC(=O)c2cc3c(s2)CCCCCC3)CCCCC1	EMOLS-id_48215240,ZINC22_95350734,MCULE-4167097944,PC-id_75403612	362.529	XYWOTQMYSXSABN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088150
NC1CCCOC1C1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_102095888	362.529	PCCAUMBPIATTDO-UHFFFAOYSA-N	00000000100010000100100000000010000000000000000000000000	31-01-088151
NC1CCOC(C1)C1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_102106088	362.529	OBISXLOERRIOBA-UHFFFAOYSA-N	00000000100010000100100000000010000000000000000000000000	31-01-088152
O=C(CCNC(=O)c1cc2c(s1)CCCCCC2)NC1CCCCC1	PC-id_55952323,ZINC22_72272847,MCULE-2218018074,EMOLS-id_42865792	362.529	NAPIUUAXWXZYAZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088153
O=C(NCCCN1CCCCCC1=O)c1cc2c(s1)CCCCCC2	ZINC22_32988737,CoCoCo_3297853,MCULE-1814552284,EMOLS-id_43834720,PC-id_40210792	362.529	FLOBWRSRVPVLOX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088154
s1c2c(CCCCCC2)cc1C(=O)N1CC(CCC1)C(=O)NCCC	PC-id_49402613	362.529	QLRIXZHGVZNWQF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088155
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)C(C)(C)C	PC-id_55588932	362.529	IOMODEDNTBFWSA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088156
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC2OCCC2)CC1	PC-id_55337891	362.529	DGEKXEWWAKEOQS-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-088157
s1c2c(CCCCCC2)cc1C(=O)NC1CCN(CC1)C(=O)C(C)C	PC-id_32541281	362.529	MQIBWPZJWBQCLC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088158
s1c2CCCCCCc2cc1C(=O)NCCNC(=O)C1CCCCC1	PC-id_55806318	362.529	SLACFCQJDHLVPX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088159
O=C(N1CCCCC1C1CCCNC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_101761330	362.533	PAVWTMOMTWUPEX-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-088160
O=C(N1CCC(CC1)C1CCNC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101825106	362.533	PSSQGVAZKBKTEG-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-088161
O=C(N1CCC(CC1)C1NCC1(C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_101761318	362.533	CSNVZMUGQKWKKH-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-088162
O=C(Nc1nc2c(s1)CCCCC2)NC1CCN(CC1)C1CCCC1	EMOLS-id_100220872	362.533	YKOAUBVMSAMZRR-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-088163
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CC[NH+](CC1)CC)C#N	PC-id_3447666	362.533	ZCSOYUYDEXNKRD-UHFFFAOYSA-P	00000000100010000101000000000010000000000000000000000000	31-01-088164
s1c2CCCCCc2c(c1NC(=O)CSCc1sccc1)C#N	PC-id_4160526	362.533	QFDUUHATTFUUEG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088165
S(CC(=O)NC1C2(C(C(C1)CC2)(C)C)C)c1n2CCCCCc2nn1	PC-id_24528206	362.533	IIERZCCYEKANEG-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-088166
c1nc2c(s1)CCN(CCCCN1CCc3ncsc3CC1)CC2	CHEMBL4472043	362.556	XWOWUPZMWGTZIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088167
CCCCCCCCCCNC(=NC)NCc1nnc2n1CCCCC2	PC-id_109616168	362.556	CPZYFIUVOSFINK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088168
CCCCCCCCCNC(=NCc1nnc2n1CCCCC2)NCC	PC-id_111386019	362.556	CQZSTQRCXWNJPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088169
CCCCCCCCCNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111386025	362.556	AZWFDZWKPJPZFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088170
CCCCCC(CNC(=NCc1nnc2n1CCCCC2)NCC)(C)C	PC-id_109582961	362.556	NSFNENMJVHZOMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088171
CCCCCCC(NC(=NCCc1nnc2n1CCCCC2)NCC)C	PC-id_111212909	362.556	HSYJSNQOZCZVSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088172
CCCCCC(CNC(=NC)NCCc1nnc2n1CCCCC2)(C)C	PC-id_109582851	362.556	GTLHSLUZPMDXAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088173
CCCCCCC(NC(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111212959	362.556	RBJRNWKOLICGSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088174
CCCCC(CN=C(NCCc1nnc2n1CCCCC2)NCC)CC	PC-id_111127749	362.556	UBYMGDHOBLULFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088175
CCCCCC(NC(=NCCCc1nnc2n1CCCCC2)NCC)C	PC-id_111195212	362.556	BJXCOFRZHXWZIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088176
CCCCC(CNC(=NC)NCCCc1nnc2n1CCCCC2)CC	PC-id_111127885	362.556	UMVLVWIFCSSAHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088177
CCNC(=NCc1nnc2n1CCCCC2)NCCCCCCC(C)C	PC-id_111204776	362.556	LDKVFKVRTOWRKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088178
CCNC(=NCCc1nnc2n1CCCCC2)NC(CCC(C)(C)C)C	PC-id_109501327	362.556	HSPJVMFWGYKUIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088179
CCNC(=NCCc1nnc2n1CCCCC2)NC(CCCC(C)C)C	PC-id_111173225	362.556	HJANBULCAGXGBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088180
CCNC(=NCCCc1nnc2n1CCCCC2)NC(CCC(C)C)C	PC-id_111203650	362.556	KPZXMIBSIJCFEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088181
CN=C(NCCc1nnc2n1CCCCC2)NCCCCCCC(C)C	PC-id_111204628	362.556	YKVQURSZMFYIRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088182
CN=C(NC(CCC(C)(C)C)C)NCCCc1nnc2n1CCCCC2	PC-id_109501587	362.556	GGVWQBQZSFQWJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088183
CN=C(NC(CCCC(C)C)C)NCCCc1nnc2n1CCCCC2	PC-id_111173391	362.556	ABKROLMLCVVRLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088184
Clc1sc(cc1Br)CNC1CCn2c(CC1)nnn2	EMOLS-id_102000555	362.676	LMKRMINFALPBQZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-088185
Clc1sc2c(C(Oc3cc(Cl)c(Cl)cc3)CCN(C2)C)c1	PC-id_68702956	362.702	QSOVKJVCDIDGHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088186
O=C(N1CCCc2c(C1)cco2)Nc1c(Cl)n(nc1C(F)(F)F)C	EMOLS-id_257969032,MCULE-1533475776	362.735	FLPDGPLIQKJRRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088187
Cn1c(=O)ccc2c(c1=O)n(cn2)CC(=O)Nc1cc(c(cc1)F)Cl	PC-id_134444551,SCHEMBL20079833	362.743	KEGJUWDLZFMADF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-088188
Clc1c2-c(c(c1N)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])ccccc2	PC-id_102129074	362.788	VIPOCASBEASXJN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-088189
O=CC1=C(Cl)c2sccc2N(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]	SCHEMBL19454362	362.788	GFHZZXWXQOHIPB-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-088190
OC(=O)C[C@@H](c1ccc(cc1)Cl)NC(=O)c1noc2c1CCCCC2	EMOLS-id_72340034,PC-id_120531568,MCULE-2866803747	362.807	ZWAMSBJNYHSLAY-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088191
OC(=O)CN(C(=O)c1noc2c1CCCCC2)Cc1ccc(cc1)Cl	MCULE-3835404584,EMOLS-id_72327238,PC-id_120517343	362.807	TXOQATWNKZNCCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088192
C1C(Cn2c(cc(n2)C(=O)NCCCc2ccc(cc2)Cl)C(=O)N1)O	PC-id_135114060	362.811	UHRCXQNQZORHNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088193
c1(C(=O)N)cn2c(CCN(C(=O)COc3ccc(cc3C)Cl)CC2)n1	MCULE-8310859390,EMOLS-id_331119648,ZINC22_1875247177	362.811	SEHNLRLWDHRBLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088194
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2nnnn2CC1	ZINC22_643367867	362.814	JEAYBVKCLMZFOR-GWCFXTLKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088195
C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2nnnn2CC1	ZINC22_643367868	362.814	JEAYBVKCLMZFOR-GXFFZTMASA-N	00000000100000110101000000000010000000000000000000000000	31-01-088196
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2nnnn2CC1	ZINC22_643367869	362.814	JEAYBVKCLMZFOR-MFKMUULPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088197
C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCc2nnnn2CC1	ZINC22_643367870	362.814	JEAYBVKCLMZFOR-ZWNOBZJWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088198
Clc1ccc(cc1)C(=O)NC(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_320401745,PC-id_145897881,MCULE-5038875567	362.814	JEAYBVKCLMZFOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088199
Clc1c(CN(C2CC2)C(=O)c2nn3c(c2)CNCCC3)c(F)ccc1	PC-id_50959784,EMOLS-id_32390292,MCULE-3614632887	362.829	PRFOXZRBWOFSPA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-088200
Clc1c(c2-c(ccccc2C(C)(C)C)c1C(=O)OCC)C(=O)OCC	PC-id_10498903	362.847	KYTPEBYBOKQJTC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-088201
Clc1c(c2-c(ccc(C(C)(C)C)cc2)c1C(=O)OCC)C(=O)OCC	PC-id_10713717	362.847	BRHRMWFLIPKGOB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-088202
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Clc1c(OC2CCN(Cc3oc(cc23)C)C)ccc(c1)C(=O)NCC	PC-id_68411758	362.851	XYQKGZVIZSPDBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088205
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COCCC1CN(Cc2cccn2C1)C(=O)c1cc(OC)ccc1Cl	EMOLS-id_313839142	362.851	RGCJKANYFQPJRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088207
COCC[C@@H]1CN(C(=O)c2cc(OC)ccc2Cl)Cc2cccn2C1	ZINC22_585095455	362.851	RGCJKANYFQPJRW-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088208
COCC[C@H]1CN(C(=O)c2cc(OC)ccc2Cl)Cc2cccn2C1	ZINC22_585095456	362.851	RGCJKANYFQPJRW-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088209
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)c(=O)[nH]c(c(Cl)c1C)C	MCULE-2037122787,EMOLS-id_82700789,PC-id_119058959,ZINC22_426369835	362.854	BPPMBUICMWCGPC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088210
Cc1cc(Cl)ccc1OCC(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_18849541,MCULE-8628859469,ZINC22_24865264,CoCoCo_4663519,PC-id_32182914	362.854	OQNRLDOFTKXIKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088211
Cc1nnc2n1CCC(CC2)N(C)C(=O)Cc1cc(c(cc1)OC)Cl	PC-id_91922630	362.854	MLGPUWJXCMYMAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088212
CCC(Oc1ccccc1Cl)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316715696	362.854	KEJWDPDYMLIJFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088213
CC(COc1ccc(cc1Cl)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319661905	362.854	FIESHWZHKHVAMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088214
CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nnc2n1CCCCC2	MCULE-5022195495,CoCoCo_4625714,EMOLS-id_17218699,PC-id_24249627,ZINC22_24923425	362.854	LDOWGNDZTSIIKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088215
CC(C)OCc1ncn2c1CN(C(=O)Nc1ccc(Cl)cc1)CCC2	ZINC22_96259939,EMOLS-id_44371414,PC-id_97520019	362.854	UAJOMXSKBRLZLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088216
C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nnc2n1CCCCC2	PC-id_40019117,ZINC22_32786748,CoCoCo_4758523	362.854	FOJMKSVPWNATCJ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088217
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nnc2n1CCCCC2	ZINC22_32786746,PC-id_40019115,CoCoCo_4758524	362.854	FOJMKSVPWNATCJ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088218
Clc1cccc(c1)CC1(O)CCN(C1)Cc1nnc2n1CCOCC2	EMOLS-id_320295886,MCULE-2179414122	362.854	WPFWXKGIQFHYLM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-088219
Clc1ccc(cc1)OC(C(=O)N(Cc1nnc2n1CCCCC2)C)C	EMOLS-id_24955037,MCULE-3808521442,PC-id_42897737	362.854	FOJMKSVPWNATCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088220
Clc1cc(c(OC(C(=O)NCc2n3CCCCCc3nn2)C)cc1)C	PC-id_51266268	362.854	ZWMYCJMJRLDPEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088221
Clc1cc(OC(C(=O)NCCc2n3CCCCCc3nn2)C)ccc1	PC-id_51304479	362.854	XRMLSCLTCWQVIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088222
Clc1c(OC(C(=O)NCCc2n3CCCCCc3nn2)C)cccc1	PC-id_55576052	362.854	CRCRULYIOKMWDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088223
COc1ccc(cc1Cl)C(=O)N1CC(CN(C)C)Cn2nccc2C1	EMOLS-id_50376683	362.854	GODXAAXHEDCSHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088224
COc1ccc(Cl)c(c1)C(=O)N1CC(CN(C)C)Cn2nccc2C1	EMOLS-id_50375285	362.854	JADKBEKRWFYJNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088225
COc1ccc(Cl)c(C(=O)N2Cc3ccnn3C[C@H](CN(C)C)C2)c1	ZINC22_248107656	362.854	JADKBEKRWFYJNC-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088226
COc1ccc(Cl)c(C(=O)N2Cc3ccnn3C[C@@H](CN(C)C)C2)c1	ZINC22_248107659	362.854	JADKBEKRWFYJNC-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088227
COc1ccc(C(=O)N2Cc3ccnn3C[C@H](CN(C)C)C2)cc1Cl	ZINC22_248095628	362.854	GODXAAXHEDCSHW-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088228
COc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CN(C)C)C2)cc1Cl	ZINC22_248095635	362.854	GODXAAXHEDCSHW-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088229
COC(c1ccccc1Cl)C(NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316705484	362.854	DAPCLQVIJYSGNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088230
COC(c1ccc(cc1)Cl)C(NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319813026	362.854	FCZDWRNQARDJCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088231
COCC(N(C(=O)C1CCn2c(CC1)nnc2)C)c1ccc(cc1)Cl	MCULE-7830785720,EMOLS-id_320178883	362.854	KGHLNHIZRWBJLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088232
COCC(=O)NCC1CN(Cc2cccc(Cl)c2)Cc2ccnn2C1	EMOLS-id_50375643	362.854	MYPSAQPKELHLTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088233
COCC(=O)NCC1CN(Cc2ccc(Cl)cc2)Cc2ccnn2C1	EMOLS-id_50376985	362.854	XDAOFSMICSCWAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088234
COCC(=O)NC[C@H]1CN(Cc2cccc(Cl)c2)Cc2ccnn2C1	ZINC22_247838463	362.854	MYPSAQPKELHLTG-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088235
COCC(=O)NC[C@@H]1CN(Cc2cccc(Cl)c2)Cc2ccnn2C1	ZINC22_247838472	362.854	MYPSAQPKELHLTG-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088236
COCC(=O)NC[C@H]1CN(Cc2ccc(Cl)cc2)Cc2ccnn2C1	ZINC22_247864880	362.854	XDAOFSMICSCWAR-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088237
COCC(=O)NC[C@@H]1CN(Cc2ccc(Cl)cc2)Cc2ccnn2C1	ZINC22_247864886	362.854	XDAOFSMICSCWAR-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088238
O[C@@]1(Cc2cccc(Cl)c2)CCN(Cc2nnc3n2CCOCC3)C1	ZINC22_1614994909	362.854	WPFWXKGIQFHYLM-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-088239
O[C@]1(Cc2cccc(Cl)c2)CCN(Cc2nnc3n2CCOCC3)C1	ZINC22_1614994912	362.854	WPFWXKGIQFHYLM-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-088240
Clc1cnn(CC(=O)N2CC(CN3CCCC3)Cn3ccnc3C2)c1	EMOLS-id_313724637	362.857	SONWDANSTRKTIF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-088241
COc1ccc(cc1Cl)NC(=NCCc1nnc2n1CCCCC2)N	PC-id_111039205	362.857	CXJFNBIKLUMTMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088242
O=C(Cn1cc(Cl)cn1)N1Cc2nccn2C[C@H](CN2CCCC2)C1	ZINC22_1565552686	362.857	SONWDANSTRKTIF-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-088243
O=C(Cn1cc(Cl)cn1)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_1614932011	362.857	SONWDANSTRKTIF-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-088244
c1(NC(=O)c2ccc(cc2Cl)C)sc2c(CCCCC2)c1C(=O)N	CoCoCo_359764,ZINC22_804961,PC-id_1087118,EMOLS-id_1491099,BAS-07004950,MCULE-9727434675	362.874	VXFYSSNGIPLMBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088245
c1(NC(=O)c2ccccc2Cl)sc2c(CCCCC2)c1C(=O)NC	CoCoCo_5058666,EMOLS-id_12034946,MCULE-5609527023,ZINC22_5055754,PC-id_7475050	362.874	FTEGESSEYJBKBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088246
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCCCCC2)c1C(=O)N	MCULE-2130508114,TIMTEC389471,ChEMBL-DNDi_CHEMBL6129096,EMOLS-id_2128623,ZINC22_1218717,PC-id_1371768,CoCoCo_743035	362.874	PUDJVABLWBTZAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088247
c1(NC(=O)c2ccccc2Cl)sc2c(CCCCCC2)c1C(=O)N	PC-id_4592657,MCULE-8799947607,TIMTEC134607,ZINC22_6336241,CoCoCo_6844797,EMOLS-id_5394204	362.874	DVXBLHUCHLXWRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088248
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_6920546,SPECS-id_AK-968/12514156,ZINC22_668667,EMOLS-id_5385116,PC-id_1008891,MCULE-5831915340	362.874	VDJNWWYENHIXLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088249
c1(NC(=O)Cc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)N	TIMTEC76507,EMOLS-id_1769888,ChEMBL-DNDi_CHEMBL7251654,CoCoCo_6782305,PC-id_1008747,MCULE-8688636868,ZINC22_668482,SPECS-id_AK-968/12386869	362.874	BIZTVMZLICQZES-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088250
Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1Cl	ZINC22_32125385,PC-id_20166077	362.874	RIIRVKICIKBILU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088251
CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)Cl)CCCCC2	PC-id_68931633,SCHEMBL4147929	362.874	SBWIQJAZDUFDBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088252
CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCCC2	CoCoCo_138188,ChEMBL-DNDi_CHEMBL3261-0692,PC-id_1007064,MCULE-3822832414,ZINC22_666147	362.874	CALLSKHBTUXTSD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088253
Clc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2/C=C/S(=O)(=O)C	SCHEMBL257676	362.874	FGRPCYSIMFVTOY-CYZWUHAYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088254
Clc1ccc(CC(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_9301199	362.874	OVMZMUOPYZQHJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088255
Clc1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)cc1	PC-id_7475049	362.874	MIVUWJOCUDHDRM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088256
Clc1ccc(N/N=C/2C(CCCc3sc(cc23)C)CC(=O)O)cc1	PC-id_10784908	362.874	HXEWZYUPMPNJAP-DYTRJAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088257
Clc1ccc(NN=C2C(CCCc3sc(cc23)C)CC(=O)O)cc1	PC-id_85266930	362.874	HXEWZYUPMPNJAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088258
Clc1c(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cccc1	PC-id_52894692	362.874	LBYVWWXJSCWPPJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088259
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)ccc1	PC-id_7475051	362.874	JUXHPOGENODTJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088260
Clc1c(CC(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	EMOLS-id_33331803,PC-id_43004217,MCULE-7808450313	362.874	DDHWWCIGBXCJIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088261
Clc1c(C(=O)NNC(=O)c2sc3CCCCCCc3c2)cccc1	PC-id_26636098	362.874	CGQFBHVASQLZCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088262
CS(=O)(=O)C=Cc1c2CCCCC(=Cc3ccc(cc3)Cl)c2n[nH]1	PC-id_87085383	362.874	FGRPCYSIMFVTOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088263
NC(=O)c1cc(NC(=O)c2cc3c(s2)CCCCCC3)ccc1Cl	EMOLS-id_27398159,PC-id_36526133,MCULE-5441763173,CoCoCo_4732783,ZINC22_29340024	362.874	PBAOVMTYNBWAEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088264
Clc1cc(N2CC[NH+](CC2)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_41725370	362.877	UIUWLQLZUZTOSN-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-088265
O=C(c1nc(N2CCCC2)ncc1Cl)N1CCCc2sccc2C1	ZINC22_593247363	362.877	FFUVYGXHMVAJGW-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-088266
c1(sc2c(CCCCC2)n1)NC(=O)c1cc2c(cc(cc2)Cl)s1	EMOLS-id_323374668,MCULE-4063558410	362.897	FTJGMPIBIBQTBM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-088267
c1(sc2c(CCCCC2)n1)NC(=O)c1cc2c(c(ccc2)Cl)s1	MCULE-4741380052,EMOLS-id_323366222	362.897	KFLYPNPFGUMSAG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-088268
c1(sc2c(CCCCC2)n1)NC(=O)c1cc2c(ccc(Cl)c2)s1	MCULE-1002798856,EMOLS-id_323407425	362.897	YNSGWKYJHCUUKB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-088269
c1(sc2c(CCCCC2)n1)NC(=O)c1sc2c(c(ccc2)Cl)c1	MCULE-7779161995,EMOLS-id_323358785	362.897	KOHXSGYAKBKXRB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-088270
Clc1cc2sc(NC(=O)c3sc4CCCCCc4c3)nc2cc1	PC-id_7942510	362.897	UONMJBMMLMSOKF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-088271
CCOC(=O)C1=CC2=C(S1)C=CN(CC2)C(=O)C3=CC(=C(C=C3)F)F	PC-id_154291904	363.074	QQEDRMOEXZLXHT-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-088272
CC1(C=CC2=C(N(C=C2SN1)C)C(=O)OC)CC3=CC(=NC=C3)Cl	PC-id_154021904	363.081	QAXGOYFPVSPANQ-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-088273
C[C@@H]([C@H]1CCC2=C(N(C=C2S(=N)(=O)N1)C)C(=O)NC3=CC=NC=C3)O	PC-id_149429541	363.137	YUTUSLRSLUUBDL-RRAJYYJSSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088274
COC(=O)C1(CCCCC1)CC(=O)NC2=CC3=C(S2)CCCCCC3	PC-id_164900191	363.187	ITYGBZAENOPZEF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088275
Ic1c2n(CCCCC2CCO)c(c1)C(=O)OC	PC-id_76022409	363.191	JDCYCJIFIZHKOU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088276
CC(C)(C)OC(=O)N1CCc2[nH]nc(I)c2CC1	MCULE-8457701357,ZINC22_91302757,EMOLS-id_32233834,SCHEMBL19768750,PC-id_71305366	363.195	NBFCDLVDAXUFIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088278
CC(C)(C)OC(=O)N1CCCCn2ncc(I)c12	EMOLS-id_337816738	363.195	IJRDQWTWVGQGFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088279
CC(C)(C)OC(=O)N1CCCn2ncc(I)c2C1	ZINC22_306821233,EMOLS-id_261467472,MCULE-7549048158	363.195	KARJAMVBTXLMDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088280
Ic1nc2c([nH]1)CCN(CC2)C(=O)OC(C)(C)C	PC-id_71237842,SCHEMBL14658577	363.195	RQCYVAORHDPUJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088281
Ic1n[nH]c2CN(CCCc12)C(=O)OC(C)(C)C	PC-id_71305365	363.195	NGHXKTBMGSVQKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088282
IC(=O)c1c(O)n(c2[n+]1C=CC(C=C2)(C)C)S	PC-id_142375069	363.195	ASKDLVUWXNNVHR-UHFFFAOYSA-O	00000000100000000111000000000010000000000000000000000000	31-01-088283
C[C@@H](C1=CC=CC=N1)N(CC2=CC=CC=C2)CC3=NN=C4N3CCOCC4	PC-id_164639197	363.206	IZFLLEAWCFMLLC-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088284
Brc1cccc(c1)CNC(=O)c1nn2c(c1)C(=O)NCCC2	PC-id_112707472	363.209	VPFYCFATDPKCBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088285
Cc1cc(Br)oc1C(=O)[C@@H](C#N)c1nnc2n1CCCCC2	ZINC22_77479784	363.209	ATLHCVNZWPOXOE-SNVBAGLBSA-N	00000000101000000101000000000010000000000000000000000000	31-01-088286
Cc1cc(Br)oc1C(=O)[C@H](C#N)c1nnc2n1CCCCC2	ZINC22_77479787	363.209	ATLHCVNZWPOXOE-JTQLQIEISA-N	00000000101000000101000000000010000000000000000000000000	31-01-088287
Cc1c(oc(c1)Br)C(=O)C(C#N)c1nnc2n1CCCCC2	EMOLS-id_313147730,PC-id_136577959,MCULE-4454663060	363.209	ATLHCVNZWPOXOE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-088288
O=C(c1cc2n(n1)CCCNC2=O)NCc1ccc(cc1)Br	PC-id_112707496	363.209	KYWMPTDCNVQYQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088289
O=C(c1nn2c(c1)C(=O)NCCC2)Nc1ccc(c(c1)C)Br	PC-id_112707574	363.209	DMAOWJQLWCEXDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088290
c1(Cn2cc(nn2)c2cccc(Cl)c2Cl)nnc2CCCCCn12	EMOLS-id_46049245,MCULE-5462533406,PC-id_72871228,ZINC22_91550942	363.244	LVEIILYFEQAWSL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088291
BrC1CCCCc2nn(cc2C1=O)Cc1ccc(OC)cc1	PC-id_66667358,SCHEMBL365853	363.249	YCLXCQKLGDELJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088292
Brc1cc(C)c(c(c1)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111946145	363.249	PSXIRRRKWWMCNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088293
Brc1ccc(cc1)[C@H](NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319397137	363.252	ZUJJLEOOPGGXSL-JTDNENJMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088294
Brc1ccc(cc1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101715653	363.252	DKOOJGXMELJTEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088295
Brc1ccc(c(c1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101963295	363.252	XDRJMCWGMCIFBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088296
Brc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101953635	363.252	DKQZBVSZHVWSGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088297
Brc1ccc(CC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266243	363.252	XMBNGBZPSUJBTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088298
Cc1cc(Br)cc(C(=O)NCc2nnc3n2CCCCC3)c1	PC-id_119043634,MCULE-9762631379,EMOLS-id_75977123,ZINC22_124903714	363.252	NVOCSAJWQGUTTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088302
Cc1cc(cc(c1)Br)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101866557	363.252	PKXYDEXHXFFYLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088303
Cc1ccc(c(c1)Br)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101959273	363.252	LGASCLMWOCHSQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088304
Cc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)Br	EMOLS-id_101945433	363.252	MPWLPUIWRMQEPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088305
O=C(C1CCn2c(CC1)nnc2)Nc1cc(C)c(c(c1)C)Br	EMOLS-id_320164422,MCULE-1759363123	363.252	SVENWGPAPBUSRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088306
O=C(C1CCn2c(CC1)nnc2)NCc1cccc(c1Br)C	EMOLS-id_316717784	363.252	XIKPGFPUZAGCLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088307
O=C(C1CCn2c(CC1)nnc2)NCc1cccc(c1C)Br	EMOLS-id_316691938	363.252	LWUWQKYOVKBICY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088308
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1Br)C	EMOLS-id_101853667	363.252	CXJMJYUIJRLZTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088309
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)Br)C	EMOLS-id_101972554	363.252	ILHWCCWTRMTNSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088310
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1C)Br	EMOLS-id_101944809	363.252	NDLMTFCWGAFSRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088311
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)C)Br	EMOLS-id_101959057	363.252	IZSNWQOFZISDLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088312
O=C(N1CCCc2c(C1)cnn2C)NCc1ccccc1Br	EMOLS-id_101719890	363.252	LBAHCFPGAXYUGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088313
Brc1ccc(s1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316709631	363.254	GGBPKEYEYLHAKH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-088314
Brc1ccsc1S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316710142	363.254	SOLJZCRHEVLROA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-088315
ICCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_114504150	363.258	SIPNFPVYJODHGD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088316
BrCCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)OC	PC-id_139608179	363.289	JHILWGRQJFPJIY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-088317
FC(c1cc(CN2CCCn3c(C2)ccn3)cc(c1)C(F)(F)F)(F)F	PC-id_143775167	363.301	ZKYLMDCMFSJXFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088318
FC(c1cc(CN2CCCn3c(C2)cnc3)cc(c1)C(F)(F)F)(F)F	PC-id_143775133	363.301	FLDFBUXXEBWWSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088319
FC(c1cc(CN2CCCn3c(C2)ncc3)cc(c1)C(F)(F)F)(F)F	PC-id_143775139	363.301	VGQHJEDMZYNKAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088320
Brc1c(cc(C(=O)c2sc3CCCCCc3c2)c(c1)C)C	PC-id_64183772	363.312	LLAFFVHRSCGXGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088321
BrC(c1sc2c(CCCCC2)c1)c1cc2CCOc2cc1	PC-id_63438045	363.312	XNFNNKHIHVIQRH-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-088322
BrC(c1sc2c(CCCCC2)c1)c1cc2c(COC2)cc1	PC-id_63447731	363.312	ZRRUOOOXWOQWBZ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-088323
N#C/C(=CC1C=Cc2c(CC1)[nH]c(=O)o2)/C(=O)c1ccc2c(c1)[nH]c(=O)o2	PC-id_142272082	363.324	JVNVBPCXVVLYOG-KPKJPENVSA-N	00000000100000100111000001000010000000000000000000000000	31-01-088324
c1cc2-c(nc(c2C(=O)N)N)cc(c1)C(=O)Nc1cc2c(cc1)[nH]c(=O)o2	PC-id_91526425	363.327	PIDKWIZJGLQRMW-UHFFFAOYSA-N	00000010100000100111000001000010000000000000000000000000	31-01-088325
Fc1ccc(c(c1)C(F)(F)F)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99304529	363.327	IKAWSCXLQAMUCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088326
Fc1cc(F)c(c(c1F)S(=O)(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101950845	363.331	KRNZQUBXYBQCFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088327
CCc1nc2n(c1C(=O)c1ccc(c(c1)C(F)(F)F)OC)C=CC=NC2	SCHEMBL21191885,PC-id_139342455	363.334	CMSJQEZYSIFOPT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-088328
FC(c1ccc(cc1)c1noc(n1)CN1CCCc2c(C1)cco2)(F)F	EMOLS-id_177244212	363.334	HOXNAGDRGGRXHX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088329
c1(C(=O)Nc2ccc3c(c2)nc([nH]3)C(F)(F)F)c2CCCCCc2[nH]n1	MCULE-1046257374,EMOLS-id_323252921	363.337	WWTPLEGRTONPNK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-088330
N#Cc1ccc(cc1C(F)(F)F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101953899	363.337	VKPPFRGBDBMPMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088331
O=C(c1n2ccccc2nc1C(F)(F)F)N1CCCc2c(C1)cnn2C	EMOLS-id_101822133	363.337	PFRWIEDUZYWHRN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-088332
C1Cn2cc(nc2OCCN1S(=O)(=O)c1ccc(cc1)C#N)[N+](=O)[O-]	PC-id_89580504,SCHEMBL14966236	363.349	MWVACHGNLITFKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088333
OC(=O)c1nn2c(c1)CN(CCC2)S(=O)(=O)c1cccc2c1non2	MCULE-8641695061,EMOLS-id_32379176,PC-id_50953931	363.349	KTRKVYCOIQWVCQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-088334
BrC(c1sc2c(CCCCC2)c1)c1c(cc(cc1C)C)C	PC-id_63440000	363.355	CNATVZLAHJFFIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088335
BrC(c1sc2c(CCCCC2)c1)c1ccc(CCC)cc1	PC-id_63440591	363.355	VZBUCUWQAHKOCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088336
BrC(c1sc2c(CCCCC2)c1)c1ccc(C(C)C)cc1	PC-id_63443417	363.355	UKMHCXJCILSTJX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088337
BrC(c1sc2c(CCCCC2)c1)Cc1c(ccc(c1)C)C	PC-id_63530567	363.355	ZDZNROUGHDBISK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088338
BrC(c1sc2c(CCCCC2)c1)Cc1cc(c(cc1)C)C	PC-id_63542555	363.355	JBFBZLCALXRVND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088339
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Cc1cccc(F)c1F	SCHEMBL16099200,ZINC22_72472821,PC-id_56909396,MCULE-5277946268,EMOLS-id_43157798	363.359	VXICICCQIDDYNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088340
COC(=O)C1=CN(CC(c2c1cn[nH]2)(C)C)C(c1ccc(c(c1)F)F)O	PC-id_139572878,SCHEMBL21451577	363.359	AKHSGORRMXLYRT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-088341
OC(c1ccc(cc1)[N+](=O)[O-])CCC1CC[n+]2c(C(O1)(C)C)c(on2)[O-]	PC-id_102271559	363.365	RMVGUCUBSQOPEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088342
C1CN(Cc2cc(nn2C1)C(CO)O)C(=O)CCn1ccc(=O)[nH]c1=O	PC-id_91781435	363.368	SHUHKOZLSRFDRP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-088343
c1(C(=O)N2CCCn3c(cc(n3)C(CO)O)C2)cc(=O)n(c(=O)n1C)C	PC-id_91775426,EMOLS-id_55646456,MCULE-5392941208	363.368	KXULGKUGYNAOLU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-088344
OC[C@@H](c1cc2n(n1)CCCN(C2)C(=O)c1cc(=O)n(c(=O)n1C)C)O	PC-id_99974394	363.368	KXULGKUGYNAOLU-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-088345
OC[C@H](c1cc2n(n1)CCCN(C2)C(=O)c1cc(=O)n(c(=O)n1C)C)O	PC-id_99974395	363.368	KXULGKUGYNAOLU-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-088346
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)CCn1ccc(=O)[nH]c1=O)O	PC-id_99978045	363.368	SHUHKOZLSRFDRP-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-088347
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)CCn1ccc(=O)[nH]c1=O)O	PC-id_99978048	363.368	SHUHKOZLSRFDRP-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-088348
CCOC(=O)C1=CN(CCc2c1scc2)C(=O)c1ccc(c(c1)F)F	PC-id_11428459,SCHEMBL1654382	363.378	UNHUSZZZKDCSFH-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-088349
ONC(=O)CC1=CCc2c(C=N1)n(cc2S)Cc1ccc(cc1F)F	PC-id_143434760	363.382	YCDRQCMTXIOAPQ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-088350
COCCn1nc2CCN(CCn2c1=O)C(=O)NCc1ccc(F)cc1	PC-id_91922435,MCULE-4077671894,EMOLS-id_50590019	363.387	MMLRIOKLFQXUQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088351
c1(cn2c(C(=O)NCCC2)c1)S(=O)(=O)NCc1ccc2c(OCO2)c1	PC-id_53182834,EMOLS-id_33086476,MCULE-5316034439	363.388	OHDFJNRDBAXQNE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-088352
c1(scc2OCCOc12)C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	PC-id_50964525,ZINC22_65405846,EMOLS-id_32399190,MCULE-7374220702	363.388	LNOYJKILRGAEDR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-088353
COC(=O)c1cccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c1	PC-id_53182829,MCULE-2556116582,EMOLS-id_33086430	363.388	SIBZWOVTJFUKQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088354
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)c1ccc2c(c1)OCO2	EMOLS-id_112057019	363.388	SSSIKRARBMNSKY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-088355
s1c2c(CCCCC2)c(c1NC(=O)c1oc([N+](=O)[O-])cc1)C(=O)NC	PC-id_7475072	363.388	SDQJGKSVQOPONZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-088356
s1c2c(CCCCC2)c(c1NC(=O)c1oncc1)C(=O)NC(=O)OC	PC-id_41180058	363.388	MAXKTHDXVTYRMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088357
c1(cn(nc1C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)C)N(=O)=O	PC-id_1769871,ZINC22_2115145,EMOLS-id_4040909,CoCoCo_6927629,TIMTEC222315,MCULE-1330161375	363.392	IPVGORPEALLZBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088358
c1(C(=O)N)c2CCCCCc2sc1NC(=O)c1n(ncc1N(=O)=O)C	TIMTEC221309,PC-id_19575682,ZINC22_2779218,EMOLS-id_4040899,MCULE-3614261457	363.392	IORJJLKZOJBVPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088359
O=S(=O)(NCc1cc2CNCCCn2n1)c1ccc(o1)c1ccno1	PC-id_70764915,EMOLS-id_44444523,MCULE-4565298132,ZINC22_82136982	363.392	FYLDHPIZYSBRTI-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-088360
O=C(c1c(sc2c1CCCCC2)NC(=O)C(F)(F)F)OC(C)(C)C	PC-id_57733472,SCHEMBL4145276	363.395	NUXSDYQAGJWAQO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088361
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_99794759,EMOLS-id_50571451,MCULE-6358255233,ZINC22_170610623	363.398	UKEFDLSQWQZFFL-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-088362
O=C(C1COCCN1CC(F)(F)F)Nc1nc2c(s1)CCCCC2	EMOLS-id_98050258	363.398	FJWXIUMBKCPWNQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088363
O=C(N1CCC(CC1)(O)C(F)(F)F)Nc1nc2c(s1)CCCCC2	EMOLS-id_110448878	363.398	NYRKCUYEZPZADI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088364
c12CN(CCC)CCCn1nc(CNC(=O)Nc1ccc(c(F)c1)F)c2	EMOLS-id_44443381,MCULE-6605830979,ZINC22_82134374,PC-id_70761596	363.405	DLSZENYSXGZBFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088365
CCOC(=O)c1cn(c2c1C(=O)C(CCC2)C(=O)C)C(=O)OC(C)(C)C	SCHEMBL6302470,PC-id_20605654	363.405	BBLABMLIRNNLMO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088366
CCOC(=O)c1[nH]c(c2c1C(=O)CC(CC2=O)(CC)CC)C(=O)OCC	PC-id_102178241	363.405	AEDAPBZKTCZGFR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088367
COC(=O)c1n(C(=O)OC(C)(C)C)c(c2c1CCC=CCC2)C(=O)OC	PC-id_122500455,SCHEMBL18030312	363.405	FBFPNZJCGDLCGJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-088368
Fc1cc(CN(C(=O)NCCc2n3CCCCCc3nn2)C)ccc1F	PC-id_55589651	363.405	YEVFWKOIHLOPSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088369
Fc1cc(NCc2nnc3n2CCCCC3)c(cc1F)N1CCOCC1	EMOLS-id_318241769	363.405	KUMSITGRYUMORW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-088370
Fc1c(CN(C(=O)NCCc2n3CCCCCc3nn2)C)ccc(F)c1	PC-id_55589746	363.405	GVBVCKLQUPHRRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088371
OC(=O)CCCOc1ccccc1NC(=O)c1cc(c2-c1ccccc2)C	PC-id_139818323	363.406	VHJBEHMQWDYJQH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-088372
CC1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C	PC-id_140762735	363.407	BFXFDISBXPRKEV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-088373
C[C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C	SCHEMBL18352816	363.407	BFXFDISBXPRKEV-NSHDSACASA-N	00000000100000110111000000000010000000000000000000000000	31-01-088374
O=C(N1CCC(CC1)C(=O)O)CN(C(=O)c1noc2c1CCCCC2)C	MCULE-5925371994,PC-id_120525538,EMOLS-id_57615633	363.408	GQTWKNPMTZDERC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088375
O=C(N1CCCC(C1)C(=O)O)CN(C(=O)c1noc2c1CCCCC2)C	MCULE-7072066231,PC-id_120534250,EMOLS-id_57637219	363.408	LHHMJCJPXMTLSP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088376
C1CN(CCc2c1nc(o2)C(=O)Nc1ccccc1)Cc1ccc(cc1)O	PC-id_134807687	363.41	DZVWPZMEOGWHRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088377
Cc1c(occ1)C(=O)N1CCCn2cc(cc2C1)C(=O)Nc1ccccc1	PC-id_137651774	363.41	QPWQFNMQABDWNU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-088378
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)Cc2ccccc2)C1	PC-id_137659874	363.41	SRWQGFJCCCFXAN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-088379
CCOC(=O)c1c(c(c2-c1ccccc2)N=Nc1ccc(cc1)N(C)C)O	PC-id_136858972	363.41	DPOSEBBBYVOELH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-088380
COC(=O)C1=CCC=C(C=C1)CCNC(=O)C1(C)C=Cc2n(C#C1)ccn2	SCHEMBL19379988	363.41	HWGWPOUUBUWLCA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-088381
O/C(=C/Sc1nnc2n1CCCCC2)/NC(=O)Nc1ccccc1F	CoCoCo_3081585,CoCoCo_3081586	363.41	ALZJEPNEHJUARC-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088382
O/C(=CSc1nnc2n1CCCCC2)/NC(=O)Nc1ccccc1F	CoCoCo_3081587,CoCoCo_3081584	363.41	ALZJEPNEHJUARC-UVTDQMKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088383
O=C(CSc1nnc2n1CCCCC2)NC(=O)Nc1ccccc1F	ZINC22_6097353,MCULE-1102854473,EMOLS-id_3440267,PC-id_7876831,CoCoCo_3081583	363.41	FBABGNQQSFKNPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088384
S(c1n2CCCCCc2nn1)CC(=O)NNC(=O)c1ccc(F)cc1	PC-id_16541829	363.41	LZRMVYRGSCMCBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088385
S(c1n2CCCCCc2nn1)CC(=O)NNC(=O)c1c(F)cccc1	PC-id_7876990	363.41	QHEKGRDEXBUILP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088386
c12CN(CCCn1nc(CNC(=O)CNC(=O)OC)c2)C(=O)C1CCC1	MCULE-1673933684,ZINC22_77322623,EMOLS-id_43562241,PC-id_70717492	363.411	QQXGQLCXKRFAPQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-088387
COCCn1nc2CCN(CCn2c1=O)C(=O)CCc1c(C)noc1C	EMOLS-id_50590141,PC-id_91922543	363.411	HICJWPVOVHSUFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088388
c12CN(CCCn1nc(C#N)c2)C(=O)c1ccc(c(c1)NC(=O)C1CC1)C	PC-id_50964633,ZINC22_65406014,EMOLS-id_32399394,MCULE-8743989140	363.413	BPUBSLMUBOVUDN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-088389
c1cncc(Cc2nnc3n2CCN(Cc2ccc4c(c2)OCO4)CC3)c1	PC-id_56910503,ZINC22_72164346,MCULE-2860337420,EMOLS-id_43161100	363.413	IJRQTKMHZJZLCB-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-088390
c1(C(=O)O)cc2n(CCCN(Cc3cnc(nc3)c3cccc(C)c3)C2)n1	ZINC22_65373652,EMOLS-id_32374030,MCULE-9496495864,PC-id_50951266	363.413	NCOTVIDQALSGCW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088391
Cc1cccc(COC2CN(Cc3cccn3C2)C(=O)c2ccnnc2)n1	EMOLS-id_55752143	363.413	CEMFMTSLXBQMAC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088392
Cc1cccc(CO[C@@H]2CN(C(=O)c3ccnnc3)Cc3cccn3C2)n1	ZINC22_575404427	363.413	CEMFMTSLXBQMAC-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-088393
Cc1cccc(CO[C@H]2CN(C(=O)c3ccnnc3)Cc3cccn3C2)n1	ZINC22_575404430	363.413	CEMFMTSLXBQMAC-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088394
Cc1ccc(cn1)C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	PC-id_91922500,MCULE-1082112420,EMOLS-id_50590083	363.413	KHJNGADRAHOTKW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088395
Cc1ccc(cn1)C(=O)N1CC(Cn2nccc2C1)OCc1cccnc1	EMOLS-id_50013116	363.413	VQBQUGKXNNVIGZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088396
Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](OCc3cccnc3)C2)cn1	ZINC22_248122218	363.413	VQBQUGKXNNVIGZ-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-088397
Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](OCc3cccnc3)C2)cn1	ZINC22_248122220	363.413	VQBQUGKXNNVIGZ-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088398
Cc1ccc(nc1)Oc1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278147519	363.413	JPODNWZBMGOBOQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088399
Cc1ccncc1C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	MCULE-6372712732,EMOLS-id_97099350	363.413	YDDUEHNRICCZLP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088400
Cc1c([nH]cc1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	PC-id_137649004	363.413	PCBZVIYHOAKNRE-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-088401
Cc1ncccc1C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	EMOLS-id_50590091,PC-id_91922503,MCULE-4087051682	363.413	OKECEOAHHVUTBB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088402
Cc1noc(C)c1CN1Cc2cccn2C[C@H](Oc2ccc(C#N)cn2)C1	ZINC22_306128399	363.413	GZJPWYTZHPJLTF-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088403
Cc1noc(C)c1CN1Cc2cccn2C[C@@H](Oc2ccc(C#N)cn2)C1	ZINC22_306128400	363.413	GZJPWYTZHPJLTF-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088404
Cc1noc(C)c1CN1CC(Cn2cccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50007576	363.413	GZJPWYTZHPJLTF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088405
COc1cc(ccn1)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356137850,EMOLS-id_337804806,MCULE-7732461262	363.413	BXSVCSKLPHFUMJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088406
n12CCC(CCc1nn(Cc1ccncc1)c2=O)C(=O)Nc1ccccc1	MCULE-8100068585,EMOLS-id_207877125	363.413	NNYJDUZWLUPEJV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088407
n12CCN(CCc1nnc2Cc1cccnc1)Cc1ccc(cc1)C(=O)O	EMOLS-id_43160702,ZINC22_72164222,PC-id_56910369,MCULE-5529249279	363.413	GWQWUSRLSWOUTD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088408
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)c1c(cccn1)O	MCULE-3094365074,PC-id_56709217,ZINC22_67803229,EMOLS-id_36438274	363.413	UDZDWVVFPCJLIH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088409
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)Nc1ccccc1	EMOLS-id_168607847,MCULE-7887091278	363.413	HSXZMISXFJHDMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088410
N#Cc1ccc(cc1)C(=O)N1CCCn2c(C1)c(nc2)CN1CCCC1=O	PC-id_97405468	363.413	OAIWYMZMLMPPOE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-088411
N#Cc1ccc(O[C@@H]2CN(C(=O)C3=CCCCC3)Cc3ccnn3C2)nc1	ZINC22_306126205	363.413	DPPCWVHQSFGMKX-GOSISDBHSA-N	00000000100011101101000000000010000000000000000000000000	31-01-088412
N#Cc1ccc(O[C@H]2CN(C(=O)C3=CCCCC3)Cc3ccnn3C2)nc1	ZINC22_306126206	363.413	DPPCWVHQSFGMKX-SFHVURJKSA-N	00000000100011101101000000000010000000000000000000000000	31-01-088413
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)C)Oc1cccnc1	EMOLS-id_319985131,MCULE-6649832575	363.413	MYPORQAOGTYBCR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088414
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)C)Oc1ccncc1	EMOLS-id_320021451,MCULE-9503120119	363.413	NPLOXWZMRIAPQB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088415
O=C(C1CCn2c(CC1)nnc2)Nc1cccnc1OCc1ccccc1	EMOLS-id_257961520	363.413	VRWKOQKGIMDWHG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088416
O=C(c1n[nH]c2c1CCC2)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575405183	363.413	QUSVAXBELNECAQ-HNNXBMFYSA-N	00000010100000101101000010000010000000000000000000000000	31-01-088417
O=C(c1n[nH]c2c1CCC2)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575405213	363.413	QUSVAXBELNECAQ-OAHLLOKOSA-N	00000010100000101101000010000010000000000000000000000000	31-01-088418
O=C(N1CC(Cn2cccc2C1)Oc1ccccn1)c1n[nH]c2CCCc12	EMOLS-id_55751505	363.413	QUSVAXBELNECAQ-UHFFFAOYSA-N	00000010100000101101000010000010000000000000000000000000	31-01-088419
O=C(N1CC(Cn2nccc2C1)Oc1ccc(cn1)C#N)C1=CCCCC1	EMOLS-id_50019014	363.413	DPPCWVHQSFGMKX-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-088420
O=C(NCc1ccccc1)c1cnn2c1CN(C(=O)c1cc[nH]c1)CCC2	ZINC22_1565550349,EMOLS-id_313765838	363.413	ZSUORUGSZHXTPX-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-088421
O=C(NCc1n2CCN(CCc2nn1)C(=O)C#Cc1ccccc1)C1CC1	PC-id_42399071	363.413	VTRHMEXYDBEJLM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-088422
c1(cnc(nc1c1ccccc1)N)C(=O)NCc1cc2n(CCCNC2)n1	ZINC22_82087602,PC-id_70708955,EMOLS-id_44424911,MCULE-1267049977	363.416	PBNHQKXLWHIGRG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088423
Cc1cccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)n1	ZINC22_306141637	363.416	WCSRLSWERYHRBQ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088424
Cc1cccc(C(=O)N2Cc3ccnn3C[C@H](CNc3ncccn3)C2)n1	ZINC22_306141638	363.416	WCSRLSWERYHRBQ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088425
Cc1cccc(n1)C(=O)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50371127	363.416	WCSRLSWERYHRBQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088426
Cc1ccc(cn1)C(=O)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50375189	363.416	PWFDXWGXGBUSOU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088427
Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)cn1	ZINC22_306136538	363.416	PWFDXWGXGBUSOU-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088428
Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNc3ncccn3)C2)cn1	ZINC22_306136539	363.416	PWFDXWGXGBUSOU-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088429
Cc1ccnc(c1)C(=O)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50374905	363.416	JBHPEYPCIHJEAD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088430
Cc1ccnc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)c1	ZINC22_306130285	363.416	JBHPEYPCIHJEAD-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088431
Cc1ccnc(C(=O)N2Cc3ccnn3C[C@H](CNc3ncccn3)C2)c1	ZINC22_306130286	363.416	JBHPEYPCIHJEAD-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088432
Cc1nc(c2cccnc2)ncc1C(=O)NCc1cc2n(n1)CCCNC2	ZINC22_97578933,MCULE-9119885272,PC-id_74240228,EMOLS-id_49659564	363.416	PMWONRSGLLZYOT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-088433
CNc1ncc(cn1)C(=O)N1CCc2nnc(Cc3ccccc3)n2CC1	MCULE-5273744967,ZINC22_97784702,PC-id_74249181,EMOLS-id_49677816	363.416	PSJVWOPERQKBDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088434
n12CCCNCc1cc(CNC(=O)c1cccc(c1)c1cnc(nc1)N)n2	PC-id_121505116,MCULE-4040009740,ZINC22_426534363,EMOLS-id_177443448	363.416	CYUQSQDWJUUDGE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088435
n12CCCNCc1cc(CNC(=O)c1ccc(cc1)c1ncnc(N)c1)n2	PC-id_121498277,ZINC22_426421897,EMOLS-id_177389587,MCULE-4822535951	363.416	OIPIMACTHNIRNS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088436
O=C(C1CCn2c(CC1)nnn2)NCc1ccc(cc1)Nc1ccncc1	EMOLS-id_320213879,MCULE-7690285101	363.416	VCDJSOYFLZAKKF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088437
O=C(NCC1CN(Cc2ccccn2)Cc2ccnn2C1)c1ccnnc1	EMOLS-id_55738862	363.416	IKKWBVJMMIKGHJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088438
O=C(N(Cc1nnc2n1CCCCC2)C)c1cnc(nc1)c1ccccn1	EMOLS-id_319517350	363.416	QKHUTHUPEPJGPF-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-088439
O=C(NC[C@H]1CN(Cc2ccccn2)Cc2ccnn2C1)c1ccnnc1	ZINC22_306129702	363.416	IKKWBVJMMIKGHJ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088440
O=C(NC[C@@H]1CN(Cc2ccccn2)Cc2ccnn2C1)c1ccnnc1	ZINC22_306129703	363.416	IKKWBVJMMIKGHJ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088441
CC1C=Cc2c(S(=O)N1)cn(c2C(=C)Nc1ccc(c(c1F)C)F)C	PC-id_139471012,SCHEMBL21337005	363.425	VFDFSSXXCUWLBZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-088442
OC(=O)CC1Cc2ccsc2C(=O)N=C1SCc1ccc(cc1)F	PC-id_142080959	363.426	QXIQCNPMTFMDOK-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-088443
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(CSC)o1	EMOLS-id_43097427,PC-id_56891939,MCULE-6587367648,ZINC22_72420467	363.431	MCIHXOKXXVHPIN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-088444
c12CN(CCCn1nc(CO)c2)C(=O)CCS(=O)(=O)c1ccccc1	EMOLS-id_55607192,PC-id_91761547,MCULE-4883948752	363.431	KMSNNPWTQVUZIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088445
c1(sc(cc1OC)C)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	PC-id_56906362,EMOLS-id_43148770,MCULE-3833491691,ZINC22_72458394	363.431	CBGXNLYBHAHSDN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-088446
Cc1ccccc1S(=O)(=O)N1CCCn2nc(CCC(=O)O)cc2C1	ZINC22_72453893,MCULE-7012839271,EMOLS-id_43143580,PC-id_70757356	363.431	VMUCKVVNEINBLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088447
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cccc(OC)c1	MCULE-8648392870,PC-id_53182914,EMOLS-id_33087242	363.431	UZKQYJAFFYITFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088448
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(OC)cc1	EMOLS-id_33087244,PC-id_53182915,MCULE-7680099447	363.431	URDBILAZDCFDBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088449
CCOC(=O)c1sc(N(C)C(=O)c2noc3c2CCCCC3)nc1C	PC-id_99698494,ZINC22_153933690,MCULE-8139554723,EMOLS-id_50354041	363.431	KJPGXUDSXVHIEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088450
CCOC(=O)/C(=N/Nc1sc2c(c1C(=O)OCC)CCCCC2)/C#N	PC-id_145964727	363.431	ZRIIGIYUEPMXFJ-XDHOZWIPSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088451
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2n[nH]c3CCCCCc23)c1	EMOLS-id_335146052,MCULE-1699352634	363.431	QJFMJXLAIUQIEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088452
COC(=O)c1cc2CN(CCCn2n1)S(=O)(=O)Cc1ccc(C)cc1	ZINC22_65427768,MCULE-6591370251,EMOLS-id_32409588,PC-id_50970021	363.431	YULORCNGKQERGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088453
COC(=O)C1=CNC(=CSC1Cc1nc2n(c1)CCCCC2)C(=O)O	SCHEMBL5438787,PC-id_69441690	363.431	WZPKBKAQRORUJY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-088454
Fc1ccc(/C=C/CN2CCc3nnc(Cc4cccnc4)n3CC2)cc1	EMOLS-id_44856018,PC-id_56881612,ZINC22_72120808	363.431	NCXFQAOXSCHTAA-DUXPYHPUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088455
n12CCN(CCc1nnc2Cc1cccnc1)CC=Cc1ccc(cc1)F	PC-id_72083595,MCULE-5847723116	363.431	NCXFQAOXSCHTAA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088456
O=C(N1CCCc2c(C1)cco2)Nc1ccc(c(c1)NS(=O)(=O)C)C	EMOLS-id_99368983	363.431	YDDUPRGDGXGGFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088457
s1c2c(CCCCC2)c(c1NC(=O)C1=NN(C(=O)CC1)C)C(=O)OC	PC-id_52598478	363.431	YKXMGFYYJDZXSM-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-088458
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)CCC1=O)C(=O)NC	PC-id_7475111	363.431	PBJDIRRLZXEINH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-088459
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(cc1)c1ccccc1	PC-id_90625371	363.433	KKCPINIEZIVOQJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088460
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCc1csc(N)n1	ZINC22_72424764,PC-id_70733648,EMOLS-id_43106873,MCULE-5178681464	363.435	JJDGISQVMNUZGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088461
c1(C(=O)NCc2cc3n(CCCN(C(=O)C)C3)n2)sc(nc1C)OC	PC-id_70731206,EMOLS-id_44432799,ZINC22_82107082,MCULE-8602918588	363.435	JGMZPZTUYGFAET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088462
c1(C(=O)NCCc2ccc(cc2)S(=O)(=O)N)cn2c(CCNCC2)n1	MCULE-5037395389,ZINC22_1857717316,EMOLS-id_330428159	363.435	RBUALKKPJXPETL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088463
CC1(C)Cc2c(O1)ccc(c2)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026791	363.435	AWRFZIMVZJUYTI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-088464
Cc1cccc(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)n1	PC-id_70780850,ZINC22_82157680,EMOLS-id_44450077,MCULE-5053042132	363.435	GGNAKJNMJBTBCK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088465
Cc1ccc(cn1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	MCULE-5062846267,PC-id_70727644,ZINC22_82100181,EMOLS-id_44431503	363.435	KSZBCVQGSWNDBW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088466
Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNS(=O)(=O)C)C2)cn1	ZINC22_248107473	363.435	PPLWURMHXCYYIL-CYBMUJFWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088467
Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNS(=O)(=O)C)C2)cn1	ZINC22_248107477	363.435	PPLWURMHXCYYIL-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088468
Cc1ccncc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82161072,EMOLS-id_44450907,PC-id_70783128,MCULE-4597711890	363.435	RTFJZJOOQPRYOE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088469
Cc1ccnc(SCC(=O)N2CCCn3nc(cc3C2)C(O)CO)n1	MCULE-5245793014,EMOLS-id_55676979,PC-id_91785948	363.435	CFIVBEZPMWYOHE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-088470
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c12CN(CCCn1nc(C)c2)C(=O)c1ccc(cc1)Cn1c(C)cc(C)n1	MCULE-8296468106,EMOLS-id_43086647,ZINC22_72410237,PC-id_56889285	363.456	ZPHMOCJCUHIDCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088553
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)Cc1cccc(c1)C#N	PC-id_72912815,ZINC22_91846189,MCULE-9231844770,EMOLS-id_46079603	363.456	CZIZWGUHJHZOOU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-088554
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccccc1C#N	EMOLS-id_44445319,ZINC22_82137570,PC-id_70767140,MCULE-1728683580	363.456	LUEOBWGEAXFKHL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-088555
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cc1)C#N	MCULE-9750485920,ZINC22_82126861,PC-id_70757266,EMOLS-id_44441949	363.456	NUTHHNJCGDGBCL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-088556
C1(c2ccccc2)(CNC(=O)N2CCCn3nc(C#N)cc3C2)CC1(C)C	MCULE-4810684225,EMOLS-id_177415107,PC-id_121501505	363.456	FUGIOVKYEXCKLT-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-088557
c1ccc(cn1)COc1ccccc1CNCc1nnc2n1CCCCC2	MCULE-4614530588,PC-id_121837628,EMOLS-id_51089175	363.456	LLEGTNLBILIZAL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088558
c1(cnc(c2ccccc2)n1C)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_1940196356,EMOLS-id_336508342,MCULE-4522259828	363.456	FMSIQNWEYHFWKT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088559
c1(CN(C)C(=O)c2ccc(cc2)c2cncn2C)c2CCCCCc2[nH]n1	MCULE-3732434205,ZINC22_426593576,PC-id_121508124,EMOLS-id_177467544	363.456	FIEYFJZOWOLXHC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088560
c1(CN(C)C(=O)c2cccc(c2)c2nccn2C)c2CCCCCc2[nH]n1	EMOLS-id_82713865,PC-id_119063787,MCULE-4980217341,ZINC22_426474463	363.456	XHEAEEWTBYMJGM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088561
c1(CN(C)C(=O)Cn2ccnc2c2ccccc2)c2CCCCCc2[nH]n1	ZINC22_91663112,PC-id_72890635,EMOLS-id_46063335,MCULE-9653103074	363.456	VDBHOQDKUYWCPI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088562
c1(C(=O)Nc2ccc(cc2)Cn2c(C)cc(C)n2)c2CCCCCc2[nH]n1	MCULE-6220233833,EMOLS-id_323252401	363.456	JPNLRBYWNMHQRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088563
CC1(C)C[C@]1(CNC(=O)N1CCCn2nc(C#N)cc2C1)c1ccccc1	ZINC22_426488135	363.456	FUGIOVKYEXCKLT-NRFANRHFSA-N	00100000100000110101100000000010000000000000000000000000	31-01-088564
CC1(C)C[C@@]1(CNC(=O)N1CCCn2nc(C#N)cc2C1)c1ccccc1	ZINC22_426488139	363.456	FUGIOVKYEXCKLT-OAQYLSRUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-088565
Cc1cc(C)cc(c1)n1nc(cc1C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674808	363.456	SSUDFZBNBHGRDB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088566
Cc1cnc(CN2CCc3nnc(Cc4ccccc4)n3CC2)c(C)c1O	PC-id_91830402,MCULE-5051004005,ZINC22_253537386,EMOLS-id_55616299	363.456	TZIMMTZUJUPDQT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088567
CC(N(Cc1nnc2n1CCOCC2)Cc1ccccc1)c1ccccn1	EMOLS-id_320296654,MCULE-6528931135	363.456	IZFLLEAWCFMLLC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-088568
n12CCCN(Cc3ccccc3)Cc1ccc2C(=O)NCCn1cccn1	MCULE-5365892330,EMOLS-id_317415769	363.456	LZTHBYSZNIJXRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088569
N#Cc1ccc(CC(=O)N2Cc3nccn3C[C@H](CN3CCCC3)C2)cc1	ZINC22_1565552212	363.456	WLERFJUNRIPLTP-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-088570
N#Cc1ccc(CC(=O)N2Cc3nccn3C[C@@H](CN3CCCC3)C2)cc1	ZINC22_1614935403	363.456	WLERFJUNRIPLTP-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-088571
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(cc1)CN1CCCC1	EMOLS-id_98151267	363.456	MGMICUCGABBRFT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-088572
O=C1NCC(Cc2c1cn(n2)Cc1ccn(n1)CCc1ccccc1)(C)C	MCULE-1340515929,EMOLS-id_316471860	363.456	VPCHXFNXHXDOFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088573
O=C(c1ccc2[nH]ccc2c1)N1CCCn2cnc(CN3CCCC3)c2C1	ZINC22_96259303,PC-id_97519387,EMOLS-id_44370150	363.456	KFPRYJVVQYPMFP-UHFFFAOYSA-N	00000010100000100101000001100010000000000000000000000000	31-01-088574
O=C(Cc1ccc(cc1)C#N)N1CC(CN2CCCC2)Cn2ccnc2C1	EMOLS-id_313724381	363.456	WLERFJUNRIPLTP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-088575
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Cc1ccc(cc1)n1cncc1	EMOLS-id_316429184,MCULE-5237268392	363.456	UOFLSJKOUMQJLX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088576
O=C(NCC1CN(Cc2cccc3[nH]ccc23)Cc2ccnn2C1)C1CC1	EMOLS-id_50372959	363.456	BWFPPGIJFUXYIY-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-088577
O=C(NCc1nn2c(CN(CCC2)Cc2cc(ccc2)C#N)c1)C1CCC1	PC-id_70709571	363.456	NYMOHDCGVRDLMT-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-088578
O=C(NC[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn2C1)C1CC1	ZINC22_247463472	363.456	BWFPPGIJFUXYIY-HNNXBMFYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-088579
O=C(NC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn2C1)C1CC1	ZINC22_247463480	363.456	BWFPPGIJFUXYIY-OAHLLOKOSA-N	00100000100000100101000001100010000000000000000000000000	31-01-088580
O=C(NCCn1ccnc1)c1ccc2CN(Cc3ccccc3)CCCn12	MCULE-1339238813,EMOLS-id_317415513	363.456	SJDOJXOPADLKJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088581
CC(CNC(=O)N1CCCC(C1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102158341	363.458	QJFYHBCCQLURJF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088582
CC(NC(=O)NC1(CCCCC1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102177914	363.458	YMOKPCPUGKQHIF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088583
CCOC(=O)N1CCC(CC1)NC(=NCc1nnc2n1CCCCC2)N	PC-id_111031926	363.458	ZDDWYGSIHKMXLI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088584
CCOC(=O)N1CCN(CC1)C(=NC)NCc1nnc2n1CCCCC2	PC-id_111164099	363.458	AWSNUCOSFGIPCL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088585
C[S@@](=O)c1nncn1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_103921672	363.458	IFXJEFWJCMAVRK-XMMPIXPASA-N	00000000100000000101000000000010000000000000000000000000	31-01-088586
C[S@](=O)c1nncn1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_103921677	363.458	IFXJEFWJCMAVRK-DEOSSOPVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088587
N#Cc1c(NC(=O)Cn2cnnc2S(=O)C)sc2c1CCCCC2	MCULE-7065714368,EMOLS-id_313152512	363.458	IFXJEFWJCMAVRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088588
O=S(=O)(NCc1n[nH]c2c1CCCCC2)c1cccc2nsnc12	MCULE-9747151657,ZINC22_670457296,EMOLS-id_222776587	363.458	GXAPORFIRNURPQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-088589
c1ccc(Cc2nnc3n2CCN(Cc2cc4n(n2)CCNC4)CC3)cc1	ZINC22_72148530,MCULE-7285453280,EMOLS-id_43139740,PC-id_56903326	363.459	LBKPTDGNUHWECQ-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-088590
CC(c1nccc(n1)CN1CCc2n(CC1)c(nn2)Cc1cccnc1)C	PC-id_56905675,EMOLS-id_43146734,MCULE-9537703503	363.459	GQEABRRHGYNFMJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088591
s1c2CCCCCCc2cc1C(=O)NCCC[NH+](CC(F)(F)F)C	PC-id_52609142	363.461	OUUGIGSODMUHDR-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-088592
O=C(N1C[C@@H]2[C@](C1)(CCOC2)C(=O)O)c1sc2c(c1)CCCCCC2	PC-id_120627956	363.471	XWWRHFLHHAFWKI-IFXJQAMLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-088593
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)C1CCCCC1	PC-id_30553006	363.471	ARNNXPNHEZQFNM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088594
S(=O)(=O)(NC(C)C(=O)OC)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194136	363.471	SGRVVMFUDXMVNF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-088595
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)OCc1ccccc1	SCHEMBL6988048,PC-id_53717168	363.473	CEQSSSQCZVHEMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088596
s1c2CCCCCc2cc1C(=O)Nc1ccc(Oc2ccccc2)cc1	PC-id_7914994	363.473	MRJLGZRLPLFAGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088597
s1c2CCCCCc2cc1C(=O)NNC(=S)Nc1ccc(F)cc1	PC-id_8726768	363.473	JBBVBQWWMMCPIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088598
s1c2CCCCCc2cc1C(=O)NNC(=S)Nc1c(F)cccc1	PC-id_8726776	363.473	VLRTUYKSRFSBHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088599
c1(NC(=O)C2CCN(CC2)C(=O)C)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_2324950,TIMTEC480428,MCULE-4218151301,PC-id_6465475,ZINC22_6699767,CoCoCo_1044216	363.474	ULOPNWMENLAOAH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088600
Cc1ccc(S(=O)(=O)N2CCCn3cnc(COC(C)C)c3C2)cc1	ZINC22_96085050,PC-id_97405868,EMOLS-id_46183121	363.474	LFCOHAVTUJXOLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088601
C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_96001589,ZINC22_75488113	363.474	DBNIMGFUZPKXFN-JQWIXIFHSA-N	00100000100000000100000000000010000000000000000000000000	31-01-088602
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_75488110,PC-id_96001588	363.474	DBNIMGFUZPKXFN-PWSUYJOCSA-N	00100000100000000100000000000010000000000000000000000000	31-01-088603
C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_75488116,PC-id_96001590	363.474	DBNIMGFUZPKXFN-ZYHUDNBSSA-N	00100000100000000100000000000010000000000000000000000000	31-01-088604
C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_75488121,PC-id_96001592	363.474	DBNIMGFUZPKXFN-CMPLNLGQSA-N	00100000100000000100000000000010000000000000000000000000	31-01-088605
CC(OCc1ncn2c1CN(CCC2)S(=O)(=O)c1cccc(c1)C)C	PC-id_97520020	363.474	HEBCUAXXUNUPTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088606
CCOC(c1noc(n1)CN(C(=O)c1cc2c(s1)CCCCC2)C)C	EMOLS-id_99764678	363.474	BCMHFZXJURZRTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088607
CCS(=O)(=O)CCN1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_253488374	363.474	AKDBGVWOIUGSNV-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088608
CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_253488375	363.474	AKDBGVWOIUGSNV-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088609
CCS(=O)(=O)CCN1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_253489994	363.474	HBQKDLXGHJAFPX-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088610
CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_253489995	363.474	HBQKDLXGHJAFPX-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088611
CCS(=O)(=O)CCN1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_50009220	363.474	AKDBGVWOIUGSNV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088612
COc1ccc(c(c1)OC)C(CCN1CCc2c(CC1)nc(s2)N)O	PC-id_19985774,SCHEMBL7285565	363.474	AEESGASACZGAJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088613
N#Cc1c(NC(=O)CN(C2(CO)COCC2)C)sc2c1CCCCC2	EMOLS-id_99246588	363.474	XKSKUEZSPJQSPB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-088614
OC1CC(C1)C(=O)N1CCc2nc(sc2CC1)C(=O)N1CCCCC1	EMOLS-id_313793333,ZINC22_1565554339	363.474	OXKUTQAUPHCFFC-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-088615
O=C(C1CCN(CC1)C(=O)C)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_13544812,PC-id_17472403,MCULE-2378233052,CoCoCo_3430034	363.474	SODUTYZUERAMOJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088616
O=C(C1CCOC1)N1CCc2nc(sc2CC1)C(=O)N1CCCCC1	EMOLS-id_313791797	363.474	IDIVIUJKDXFPJC-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-088617
O=C(C1CC(=O)N(C1)C(C)C)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-1424297422,PC-id_51113914,EMOLS-id_33346757	363.474	RQGONRYBOTWUQE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-088618
O=C(C1CN(C1)C1COCC1)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_278261792	363.474	PJADRANSFVGYST-UHFFFAOYSA-N	00001010100000000100100000000010000000000000000000000000	31-01-088619
O=C(c1nc2c(s1)CCN(C(=O)[C@H]1CCOC1)CC2)N1CCCCC1	ZINC22_1565553046	363.474	IDIVIUJKDXFPJC-ZDUSSCGKSA-N	00000010100010000101000000000010000000000000000000000000	31-01-088620
O=C(c1nc2c(s1)CCN(C(=O)[C@@H]1CCOC1)CC2)N1CCCCC1	ZINC22_1614937707	363.474	IDIVIUJKDXFPJC-CYBMUJFWSA-N	00000010100010000101000000000010000000000000000000000000	31-01-088621
O=C(CN1CCCCCC1=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_45631797,PC-id_31339755,MCULE-5306243398	363.474	WGBIKUQUUQZUAY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088622
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s1c2CCCCCc2cc1C(=O)NNC(=O)[C@H]1CN(C(C)C)C(=O)C1	PC-id_52238103	363.474	RQGONRYBOTWUQE-CYBMUJFWSA-N	00000010100000000100000000000010000000000000000000000000	31-01-088624
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H]1CN(C(C)C)C(=O)C1	PC-id_52238104	363.474	RQGONRYBOTWUQE-ZDUSSCGKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-088625
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)C1CCCC1	PC-id_46429235	363.474	OHZNFCVDEABVAT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-088626
s1c2CCCCCc2c(c1NC(=O)CCN(CC(=O)OCC)C)C#N	PC-id_56186323	363.474	CMTVVCWBPHZPOI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088627
s1c2CCCCCc2c(c1NC(=O)[C@@H](N(CC(=O)OCC)C)C)C#N	PC-id_52825073	363.474	NVAOVJFPWNDCKR-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088628
s1c2CCCCCc2c(c1NC(=O)[C@H](N(CC(=O)OCC)C)C)C#N	PC-id_52825074	363.474	NVAOVJFPWNDCKR-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088629
s1c2CCCCCc2c(c1NC(=O)C(N(CC(=O)OCC)C)C)C#N	PC-id_60611320	363.474	NVAOVJFPWNDCKR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088630
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c1(C(=O)Nc2ccccc2Sc2ccccc2)c2CCCCCc2[nH]n1	EMOLS-id_335089754,MCULE-3360224066	363.476	IXSPMEHOBWFIJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088633
c1(NC(=O)c2ccc3c(c(C)c([nH]3)C)c2)sc2c(CCCCC2)c1C#N	MCULE-6024772087,PC-id_23474737	363.476	GPHHZTJQCWYLAK-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-088634
C[C@H](c1nnc2n1CCCCC2)[NH2+]Cc1cccc(c1)Oc1ccccc1	GD-id_ZINC48040512	363.476	YMDCXCGCLPYPJG-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-088635
Cn1cc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)c2ccccc12	EMOLS-id_42959076,ZINC22_65850399,MCULE-7554619372,PC-id_72046680	363.476	UIEKFDMMZIOZNF-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-088636
COc1cc2c(cc1)[nH]cc2/C=N/c1c(c2c(s1)CCCCCC2)C#N	PC-id_137225086	363.476	BSNLJOFNFDMZSR-ZMOGYAJESA-N	00000000100000100100000001100010000000000000000000000000	31-01-088637
COc1cccc(c1)C[N@@H+]1CCc2n(CC1)c(nn2)CCc1ccccc1	GD-id_ZINC12451049	363.476	MIIKBZFPWMVJOB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-088638
O(c1c(C[NH+]2CCn3c(nnc3CCc3ccccc3)CC2)cccc1)C	PC-id_42357147	363.476	BFMLJNUSMCPYCT-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-088639
O=C(c1sc2c(n1)CCN(CC2)Cc1ccccc1)Nc1ccccc1	PC-id_97524650	363.476	JAVVNBAFSZZMCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088640
c12CN(CCCn1nc(CCC(=O)NCCO)c2)Cc1scnc1C	PC-id_70743966,EMOLS-id_44437325,ZINC22_82115549,MCULE-5690183351	363.478	HMJVBNRSNYBUAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088641
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc(cn1)CC	PC-id_70736904,EMOLS-id_44434809,ZINC22_82108761,MCULE-9842153534	363.478	NNRSFBAXVVLVOJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088642
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)CSCCC)C2)n1	MCULE-1534076199,PC-id_91788463,EMOLS-id_55684263	363.478	KCQIHRSURUSLDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088643
c1(csc(CN(C)C)n1)C(=O)N1CCCn2c(cc(n2)C(CC)O)C1	MCULE-1873640856,PC-id_91768505,EMOLS-id_55626760	363.478	KOZBDSNXHZWKQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088644
Cc1c(C)c(C)c(c(c1C)S(=O)(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102026515	363.478	OCKYSXGQDXFTFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088645
CC(C)CN1CCCn2nc(CNS(=O)(=O)c3cccnc3)cc2C1	ZINC22_82107583,MCULE-6663585196,PC-id_70732475,EMOLS-id_44433235	363.478	NLONIODWHSFKCC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088646
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1csc(n1)CN(C)C)O	PC-id_99973321	363.478	KOZBDSNXHZWKQN-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088647
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1csc(n1)CN(C)C)O	PC-id_99973322	363.478	KOZBDSNXHZWKQN-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088648
CCCSCC(=O)N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1	PC-id_100172180,ZINC22_222970348	363.478	KCQIHRSURUSLDV-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088649
CCCSCC(=O)N1CCCn2nc([C@H](O)c3ccnn3C)cc2C1	ZINC22_222970406,PC-id_100172189	363.478	KCQIHRSURUSLDV-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088650
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)Cc1csc(C)n1	MCULE-8991342519,EMOLS-id_55613471,PC-id_91763821	363.478	GLKYRRNUIDVDQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088651
CN(C[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1csc(n1)C)O)C	PC-id_100020346	363.478	GLKYRRNUIDVDQH-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088652
CN(C[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1csc(n1)C)O)C	PC-id_100020349	363.478	GLKYRRNUIDVDQH-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088653
COCC(n1ccc(n1)NC(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_101103995	363.478	IZAHJPSIKHPRPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088654
O=C(c1sc(nc1C)NCc1nnc2n1CCCCC2)OC(C)(C)C	MCULE-8263512777,EMOLS-id_258204853	363.478	PYPOACRDKNAIKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088655
O=C(N1CCN(CC1)C(=O)C1CC1)CSc1nnc2n1CCCCC2	EMOLS-id_98065644	363.478	ODMWXQIXONEIKU-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-088656
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)C#N	PC-id_43904242	363.478	QWDMUXHRKWEMHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088657
S1C2(N(C(C1)C(=O)NCCc1n3CCCCCc3nn1)C(=O)CC2)C	PC-id_60404879	363.478	RSMZOBITKBQXGI-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-088658
s1c(c(nc1NC(=O)Cn1nc2n(CCCCC2)c1=O)CCC)CC	PC-id_55903247	363.478	ORWMWNGEZCPLRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088659
CCN1C(=CS/C/1=C(c1nnc2n1CCCCC2)/C#N)c1ccccc1	CoCoCo_3729570,PC-id_2315198	363.479	WIXLYCZOJOCNFG-SILNSSARSA-N	00000011100000110101100000000010000000000000000000000000	31-01-088660
CCN1C(=CS/C/1=C(/c1nnc2n1CCCCC2)C#N)c1ccccc1	CoCoCo_3729571,PC-id_2315199	363.479	WIXLYCZOJOCNFG-CAPFRKAQSA-N	00000011100000110101100000000010000000000000000000000000	31-01-088661
CCN1C(=CSC1=C(c1nnc2n1CCCCC2)C#N)c1ccccc1	PC-id_4341868,MCULE-7110020113	363.479	WIXLYCZOJOCNFG-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-088662
c12CN(CCCn1nc(CNc1nnc(C(C)C)s1)c2)C(=O)N(C)C	ZINC22_91680230,PC-id_72895011,MCULE-9428044939,EMOLS-id_46066547	363.481	YSRMTOPAALSVJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088663
CCc1sc(c(n1)C)C(N(C(=O)NC1CCn2c(CC1)nnn2)C)C	EMOLS-id_102163468	363.481	GTBLSBHBYCSZLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088664
CCC(C)(C)c1nnc(NC(=O)NCc2nnc3n2CCCCC3)s1	PC-id_46985850,MCULE-6950598171,EMOLS-id_31606392,ZINC22_55107913	363.481	JASJBFJVIUHELP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088665
CCCN1CCCn2nc(CNC(=O)CSc3nc(C)n[nH]3)cc2C1	ZINC22_82092615,EMOLS-id_44426569,MCULE-3104380288,PC-id_70713488	363.481	FLMHTPWURWLQOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088666
s1c(C(=O)NC(C(C)C)c2n3CCNCCc3nn2)c(nc1N)CC	PC-id_56720279	363.481	JBQVXDIZVNGKRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088667
O(C(=O)C1CCC(CC1)CCCCCC)c1cc2-c(c1)ccc(cc2)C#N	PC-id_85630651	363.493	USWDHLBOXUMPKA-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-088668
c1(c2CCCCCc2sc1NC(=O)c1cccs1)C(=O)OC(C)C	PC-id_1222847,CoCoCo_5822551,TIMTEC493359,SPECS-id_AK-968/13409006,EMOLS-id_4041217,ZINC22_998623,MCULE-1612798066	363.494	VAADKJDZOMZBEF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088669
c1(NC(=O)c2cccs2)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_2164935,ZINC22_2745550,MCULE-6506793416,TIMTEC258370,CoCoCo_906270,SPECS-id_AK-968/12571001,EMOLS-id_2445656	363.494	KDXAVUWMMUXBNA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088670
c1(NC(=O)c2cccs2)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_1741916,ZINC22_2082873,MCULE-4308328371,TIMTEC512742,SPECS-id_AK-968/12100070,CoCoCo_896674,EMOLS-id_2195989	363.494	VVRQTOKAPVLYOO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088671
CCCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)C(=O)OC(C)(C)C)C	PC-id_145511640	363.494	ANNYIEFAKDOVFY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088672
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)C(=O)OC(C)(C)C)CC	SCHEMBL3141027,PC-id_49840395	363.494	GTILDLUFPNOWIO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088673
CS(=O)(=O)Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1	ZINC22_63982896,MCULE-5093589597,EMOLS-id_44557787,PC-id_71882667	363.494	DBKXDUZTVFKIQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088674
O=C(NCCS(=O)(=O)c1ccccc1)c1cc2c(s1)CCCCC2	PC-id_51116238,ZINC22_47422124,EMOLS-id_33350840,MCULE-5077516170	363.494	XODBYGKAJPVZSF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088675
s1c2CCCCCc2cc1C(=O)Nc1c(ccc(S(=O)(=O)C)c1)C	PC-id_26811390	363.494	BACVAYHBYVOBRC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088676
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(c1sccc1)C	PC-id_16509404	363.494	CCIDLOLREYRSMD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088677
s1c2CCCCCc2cc1C(=O)OC(C(=O)NCc1sccc1)C	PC-id_78644186	363.494	UPJWYCSNCVOBIO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088678
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)NCc1sccc1)C	PC-id_8254815	363.494	UPJWYCSNCVOBIO-LBPRGKRZSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088679
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)NCc1sccc1)C	PC-id_8254820	363.494	UPJWYCSNCVOBIO-GFCCVEGCSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088680
s1c2CCCCCCc2cc1C(=O)Nc1ccc(S(=O)(=O)C)cc1	PC-id_52204428	363.494	KVWMSKDOXYLFTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088681
s1c2CCCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)C)ccc1	PC-id_9071791	363.494	RWNGCEGQHUKTEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088682
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCc1sccc1	PC-id_24341555	363.494	OTDZOPVUWUJGAU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-088683
CC1CCCCCCc2cc1c(n2C)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_91488411	363.496	PGJIUKJXSCEHHC-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088684
CC1CCCCCCc2cc1c(n2C)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136044495	363.496	SNUTVRWQUJMHIG-KGENOOAVSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088685
CC1CCCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87589595	363.496	WRPJAAQXAHKNKG-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088686
CC1CCCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3884593,PC-id_136385028	363.496	PCSZLVKYNIYGRH-HYARGMPZSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088687
CCC1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87588810	363.496	HGSYGGGVGANZKG-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088688
CCC1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_135409545,SCHEMBL3873752	363.496	GGCXANDXOFIBCS-HYARGMPZSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088689
CCC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136498004	363.496	GGCXANDXOFIBCS-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088690
CC[C@@H]1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136385017,SCHEMBL3884066	363.496	GGCXANDXOFIBCS-MRXNPFEDSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088691
CC[C@H]1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136414784,SCHEMBL3878204	363.496	GGCXANDXOFIBCS-SITPEIFSSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088692
CC[C@H]1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136655768	363.496	GGCXANDXOFIBCS-INIZCTEOSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088693
CC[C@@H]1CCCCCCc2cc1c([nH]2)/C=C
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CCOc1cc(=C2C=CC=N2)[nH]c1=Cc1c2cc([nH]1)CCCCCCC2C	PC-id_87589044	363.496	MUSOMLBJGGPMFH-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088695
CCOC1=CC(=NC1=Cc1c2cc([nH]1)CCCCCCC2C)c1ccc[nH]1	PC-id_136492071	363.496	SYLWPZWAOVCLLC-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088696
CCOC1=CC(=N/C/1=C/c1c2cc([nH]1)CCCCCCC2C)c1ccc[nH]1	SCHEMBL3880645,PC-id_136414802	363.496	SYLWPZWAOVCLLC-HYARGMPZSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088697
CN(CCCc1c(/C=C/2C(=O)Nc3c2cccc3)[nH]c2c1CCCCC2)C	PC-id_60113727,SCHEMBL6692335	363.496	ZJOWBTNBDWEOSY-CYVLTUHYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-088698
COc1cc(=C2C=CC=N2)[nH]c1=Cc1c2CCCCCCCCCc(c2)[nH]1	PC-id_87588891	363.496	ZETGVZIHWXPKFG-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088699
COc1cc(=C2C=CC=N2)[nH]c1=CC1CCCCCCCc2cc(c[nH]2)C1	PC-id_88013912	363.496	YPMPOXTZNXKKJH-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088700
COc1cc(=C2C=CC=N2)[nH]c1=CC1CCCCCCCCc2cc1c[nH]2	PC-id_88079304	363.496	OBECRSGEIKMPPC-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088701
COC1=CC(=N/C/1=C/c1c2CCCCCCCCCc(c2)[nH]1)c1ccc[nH]1	SCHEMBL3879270,PC-id_136414788	363.496	QHASWIMXMPMDJO-PXLXIMEGSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088702
COC1=CC(=N/C/1=C/C1CCCCCCCc2cc(C1)c[nH]2)c1ccc[nH]1	PC-id_136346242,SCHEMBL6579359	363.496	ZAURADJJWJHKDX-HYARGMPZSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088703
COC1=CC(=NC1=CC1CCCCCCCc2cc(C1)c[nH]2)c1ccc[nH]1	PC-id_136346243,SCHEMBL6579362	363.496	ZAURADJJWJHKDX-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088704
COC1=CC(=N/C/1=C/C1CCCCCCCCc2cc1c[nH]2)c1ccc[nH]1	SCHEMBL7046166,PC-id_136476853	363.496	NKHCQQXNAHUIGA-HYARGMPZSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088705
COC1=CC(=NC1=CC1CCCCCCCCc2cc1c[nH]2)c1ccc[nH]1	SCHEMBL7046169,PC-id_136476854	363.496	NKHCQQXNAHUIGA-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088706
O(c1c(=Cc2n(c3CCCCCCC(c2c3)C)C)[nH]/c(=C/2N=CC=C2)/c1)C	PC-id_59896541	363.496	PGJIUKJXSCEHHC-XEPIQXTHSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088707
O(c1c(=Cc2[nH]c3CCCCCCC(c2c3)CC)[nH]/c(=C/2N=CC=C2)/c1)C	PC-id_59896544	363.496	HGSYGGGVGANZKG-XFPNFMLJSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088708
O(c1c(=Cc2[nH]c3CCCCCCC(c2c3)CC)[nH]/c(=C/N=CC=C2)/c1)C	PC-id_9820429	363.496	HGSYGGGVGANZKG-LCKPJZGTSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088709
O(c1c(=Cc2[nH]c3CCCCCC[C@@H](c2c3)CC)[nH]c(=C2N=CC=C2)c1)C	PC-id_68824112	363.496	HGSYGGGVGANZKG-INIZCTEOSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088710
O(c1c(=Cc2[nH]c3CCCCCC[C@H](c2c3)CC)[nH]c(=C2N=CC=C2)c1)C	PC-id_68826203	363.496	HGSYGGGVGANZKG-MRXNPFEDSA-N	00000011110000000100100000000010000000000000000000000000	31-01-088711
O=C1Nc2c(C1=Cc1[nH]c3c(CCCCC3)c1CCCN(C)C)cccc2	PC-id_72651817	363.496	ZJOWBTNBDWEOSY-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-088712
O=C1Nc2c(/C/1=C/c1[nH]c3c(C(CCCC3)CCCN(C)C)c1)cccc2	PC-id_10451369	363.496	XWKAAHYYYORAQW-HKWRFOASSA-N	00000010100000100100000000001010000000000000000000000000	31-01-088713
O=C1Nc2c(C1=Cc1[nH]c3c(C(CCCC3)CCCN(C)C)c1)cccc2	PC-id_85146730	363.496	XWKAAHYYYORAQW-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-088714
O=C(N(c1ccccc1)C)CC/C=C/CCc1n[nH]c2c1CCC=CCC2	PC-id_101804431	363.496	NTWWQKYORGSROV-FCEBADDRSA-N	00000000100000110111000000000010000000000000000000000000	31-01-088715
c12CN(CCCn1nc(CNC(=O)COC)c2)CC1CCCN(CC)C1	PC-id_70713877,MCULE-9149055838,EMOLS-id_44426725	363.498	DKUGROOLZDSFPK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088716
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)CC1CCOC(C)(C)C1	EMOLS-id_44441923,PC-id_70757205,MCULE-5076405372	363.498	LWXCICXFOUPYFY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088717
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Cc1nc2c(s1)CN(C(=O)[C@H]1CC[C@H](C)CC1)CC[C@H]2C(=O)N(C)C	ZINC22_2055730052	363.517	VTHKIGWITPBEEV-BPLDGKMQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088806
Cc1nc2c(s1)CN(C(=O)[C@H]1CC[C@H](C)CC1)CC[C@@H]2C(=O)N(C)C	ZINC22_2055730053	363.517	VTHKIGWITPBEEV-QEJZJMRPSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088807
CCCC(=O)N1CCCCC1C(=O)Nc1sc2c(n1)CCCCCC2	PC-id_71886203,EMOLS-id_44548278,MCULE-5652003627	363.517	XUNQIQRPWLTMTR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088808
CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1nc2c(s1)CCCCCC2	PC-id_97027182,ZINC22_84739812	363.517	XUNQIQRPWLTMTR-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088809
CCCC(=O)N1CCCC[C@H]1C(=O)Nc1nc2c(s1)CCCCCC2	PC-id_97027183,ZINC22_84739814	363.517	XUNQIQRPWLTMTR-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088810
CCCNC(=O)CN1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_317322663,PC-id_22110924,MCULE-7934602778	363.517	MKLWXTYDXZKQAM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088811
CC(C)NC(=O)CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	PC-id_16377130,ZINC22_12586301,MCULE-1195585307,EMOLS-id_11834637,CoCoCo_4089528	363.517	PCJHTRVVGLDSSY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088812
CCC(=O)N1CCCc2c(C1)sc(n2)OC1CCN(CC1)C1CCC1	SCHEMBL166290,PC-id_56848590	363.517	DQTLZDMWXHEGQX-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-088813
CC(C(=O)N1CCC(CC1)C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_110644851	363.517	MUPDGRAIBUONFB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088814
C[C@H]1CC[C@@H](CC1)C(=O)N1CCC(C(=O)N(C)C)c2nc(C)sc2C1	EMOLS-id_313743321	363.517	VTHKIGWITPBEEV-FJVAONGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088815
CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc2CCCCCc2s1	ZINC22_67982890,PC-id_56723014,EMOLS-id_36466659,MCULE-4114068662	363.517	LIGHBSZNLJSPIP-CABCVRRESA-N	00000010100000000100000000000010000000000000000000000000	31-01-088816
CN1CCN(CC1)[C@H]1CN(C[C@@H]1O)C(=O)c1cc2CCCCCc2s1	EMOLS-id_68876092,MCULE-2705167593,PC-id_118763742,ZINC22_299770904	363.517	NVUYVMJHRJRFTN-HOTGVXAUSA-N	00000010100010000101100000000010000000000000000000000000	31-01-088817
CN(C(=O)NC1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2)C	EMOLS-id_319610685	363.517	PLODFNSXDKBWCX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088818
NCCC(=O)NCC1CCCCN1C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_302352848,PC-id_120579235,MCULE-6795107136	363.517	XNZSSBVIMVCJBE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088819
NCCNC(=O)C1CCCN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_301659932,MCULE-4117476849,PC-id_119480180	363.517	LRPCCUDRKBVVBL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088820
O=C(C1CCCN(C1)C(=O)C(C)(C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110710448	363.517	DSVSWCNUKWYZPM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088821
O=C(c1noc2c1CCCCC2)NCC1(CCCC1)N1CCSCC1	EMOLS-id_100928448	363.517	YJXSSEXKQJGJJW-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-088822
O=C(c1sc2c(c1)CCCCCC2)N1CCN(CC1)C(C(=O)N)(C)C	EMOLS-id_111262648	363.517	SWJNCKIEGHYKBF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088823
O[C@@H]1CCN(C[C@H]1C1CCCC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_101609188	363.517	WGWDIMAJXBDTGL-GOEBONIOSA-N	00000010100010000101100000000010000000000000000000000000	31-01-088824
O=C(N1CCc2c(CC1)nc(s2)OC1CCN(CC1)C(C)C)C1CC1	PC-id_56849445,SCHEMBL17156974	363.517	PUOXBHBRVSRBFX-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-088825
O=C(N1CCC(C1)C1CCOCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098364	363.517	LTLFDNHOXKENEM-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-088826
O=C(N1CCCC1C1CCOCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101100986	363.517	FHMPXAGMVDIDQM-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-088827
O=C(N1CCC(CC1)C1CCCO1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101101058	363.517	WMNOKZCONROARQ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-088828
O=C(N1CCC(CC1)OC1CCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101851252	363.517	IPYHOLMLLWFZAE-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-088829
O=C(N1CCC(CC1)OC1CCCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98034911	363.517	FHEPHTZVMPFJFR-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-088830
O=C(N1CCC(CC1)OCC1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101101040	363.517	VQSRAWVCUQOBCA-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-088831
O=C(N(C1CCC(CC1)(C)C)C)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111813203	363.517	LOUKDERBIAKSCH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088832
s1c2CCCCCc2cc1C(=O)NCCCN1CC(CCC1)C(=O)N	PC-id_56409810	363.517	WTVCHYCFVKLFBZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088833
s1c2CCCCCc2cc1C(=O)NNC(=O)C1N(CCCC1)CCC	PC-id_56202837	363.517	OUIRQRSGSFXPHC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088834
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)CC(=O)NCC	PC-id_55567640	363.517	KNDQUSVXKWCDOK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088835
s1c2CCCCCCc2nc1NC(=O)CNC(=O)CC1CCCCC1	PC-id_56270310	363.517	BFAYYVAWINOOEQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088836
s1c(C(=O)N2C(CC(N)C2)C(=O)N(CC)CC)cc2c1CCCCC2	PC-id_76406433	363.517	LIGHBSZNLJSPIP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-088837
s1c(C(=O)N2[C@@H](C[C@H](N)C2)C(=O)N(CC)CC)cc2c1CCCCC2	PC-id_56719230	363.517	LIGHBSZNLJSPIP-GJZGRUSLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-088838
CC1(C)[C@H]2CC=C([C@@H]1C2)C[N@H+]1CCc2n(CC1)c(nn2)Cc1ccccc1	GD-id_ZINC14997028	363.519	JZKQCLRXTADOFO-PMACEKPBSA-O	00001000100011110101001000000010000000000000000000000000	31-01-088839
O=C(C1CCN(CC1)C1CCSC1)NCc1nnc2n1CCCCC2	EMOLS-id_98760122	363.521	SXKUPDORXRFEHJ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-088840
O=C(N1CCC(C1)N1CCNCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101825097	363.521	PIWXAONGBABUOI-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-088841
O=C(NCCC[NH+]1CCCCCC1)NCCc1n2CCCCCc2nn1	PC-id_52273977	363.521	ZGHALPRFGFLDBW-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-088842
O=C(NCCC[NH2+]C1CCCCC1)NCCc1n2CCCCCc2nn1	PC-id_52184301	363.521	DWGCNNZNRFVOFD-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-088843
s1c2CCCCCc2c(c1NC(=O)CSc1scc(n1)C)C#N	PC-id_35966168	363.521	UFVWDIWSLXGERD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088844
O=C(c1cc2c(s1)CCCCC2)N1CCC[N@H+](CC1)C[C@@H]1CCCO1	GD-id_ZINC46046787	363.537	FFNNFUXXABJSLT-KRWDZBQOSA-O	00000010100000000101000000000010000000000000000000000000	31-01-088845
N#Cc1c(NC(=O)CCN2CCCSCC2)sc2c1CCCCC2	EMOLS-id_98188687	363.541	ZSEZLVHLCZYYQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088846
N#Cc1c(NC(=O)CCN(C2CSCC2)C)sc2c1CCCCC2	EMOLS-id_98119836	363.541	KJFRVPVATKJODN-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-088847
N#Cc1c(NC(=O)C(N2CCCSCC2)C)sc2c1CCCCC2	EMOLS-id_98188726	363.541	FMVCSLCELDXQDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088848
N#Cc1c(NC(=O)CN2CCSCC(C2)C)sc2c1CCCCC2	EMOLS-id_100515110	363.541	BGFGTYVNMNGZPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088849
N#Cc1c(NC(=O)CN2CCSC(CC2)C)sc2c1CCCCC2	EMOLS-id_100623752	363.541	HYXAQCHGODITIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088850
N#Cc1c(NC(=O)CN2CCSCCC2C)sc2c1CCCCC2	EMOLS-id_100711593	363.541	WSMGAPPBOGCHMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088851
CCN(CCCC(NC(=NC)NCc1nnc2n1CCCCC2)C)CC	PC-id_110999533	363.544	ARZAIUVSTLAQSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088852
CCNC(=NCc1nnc2n1CCCCC2)NCCN(C(C)C)C(C)C	PC-id_111247909	363.544	MVULTKDKZNOULZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088853
CN=C(NCc1nnc2n1CCCCC2)NCCCN(C(C)C)C(C)C	PC-id_111691176	363.544	ODJNERXHZASXIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088854
CN=C(NCCc1nnc2n1CCCCC2)NCCN(C(C)C)C(C)C	PC-id_111247085	363.544	UOAZITNOVRRPOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088855
S=c1n2c(nn1CN1CCN(CC1)Cc1sccc1)CCCCC2	PC-id_30245625	363.544	IGFRYAPDAZQETE-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-088856
S=c1n(CN2CCN(Cc3ccsc3)CC2)nc2n1CCCCC2	EMOLS-id_13470364,ZINC22_23249001,CoCoCo_4207740,PC-id_17449634,MCULE-5651946418,CoCoCo_4207739	363.544	WJVABUUTUVWEJS-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-088857
c12N(CCCCc1cc(C(=O)NCC1CCN(CC(C)C)C1)s2)CC	MCULE-1961944378,EMOLS-id_97030514	363.561	NUPICUKYWCBDBG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-088858
c12N(CCCCc1cc(C(=O)NCCC1CCN(CC1)CC)s2)CC	MCULE-1891218748,EMOLS-id_97027122	363.561	LOETZBPFQOQLGE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-088859
s1c2CCCCCCc2cc1C(=O)NCCCN1CCN(CC1)CC	PC-id_55662822	363.561	WQIHOAASPXMXMT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088860
s1c2CCCCCCCCCCc2nc1NC(=O)CN1CCCCC1	PC-id_30376714	363.561	OKUHRSWTSBXZBY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-088861
CCCCCCCCC1(CCCCCCCC)COc2c(OC1)c[nH]c2	SCHEMBL182972,PC-id_11046703	363.577	LWUKFUPXAPIYKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088862
CCCCCCCCC1(CCCCCCCC)COOc2c(C1)c[nH]c2	SCHEMBL182971,PC-id_22672959	363.577	JXYOHDNUAYTOSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088863
C[N@@H+]1CCCN(CC1)C(=O)c1sc2c(c1)CCCCCCCCCC2	GD-id_ZINC20501886	363.58	FGOXNDBBGZNPNP-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-088864
O=C(C1CCn2c(CC1)nnn2)Nc1nn(cc1Cl)CC(F)(F)F	EMOLS-id_258113382,MCULE-6566967701	363.726	CDEDSISYHKOKPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088865
Clc1ccc2n(CC(=O)N3CCc4n[nH]c(=O)n4CC3)c(=O)oc2c1	PC-id_91910592,EMOLS-id_50589903,MCULE-6123148287	363.756	QMLALCYHAYPOBO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-088866
Fc1ccc(c(c1F)S(=O)(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_102028610	363.771	DCLFQRXLPNMTBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088867
c1(C(=O)N2CCCn3nc(CO)cc3C2)nc2n(cc(cc2)Cl)c1F	EMOLS-id_55638424,PC-id_91772593,MCULE-4102572655	363.774	VWVIERRXYILPKQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-088868
Fc1cccc(Cl)c1CC(=O)N1CCc2nn(CC#N)c(=O)n2CC1	PC-id_91910686,EMOLS-id_50585755,MCULE-5218527926	363.774	LNODTFKLRPBDMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088869
ClCC(=O)Nc1c(c2-c(c1C(=O)OCC)ccccc2)C(=O)OCC	PC-id_85756766	363.792	LHLYOWVVPYKMTP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-088870
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Nc1ccc(nc1)Cl	ZINC22_72480557,PC-id_70784900,EMOLS-id_43178719,MCULE-9477268563	363.799	NPBLCALVNVBWOB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088871
O=C(N1CCCc2c(C1)cnn2C)Nc1cc([N+](=O)[O-])c(cc1C)Cl	EMOLS-id_316479624	363.799	YPXWJSSSIOVKFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088872
c1(C(O)C2CC2)cc2n(CCCN(C2)C(=O)c2cc(Cl)ccc2F)n1	EMOLS-id_55636798,PC-id_91772017,MCULE-6789272303	363.814	GUGVKXJWZXPXNL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-088873
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1ccc(F)c(Cl)c1	EMOLS-id_313810734	363.814	MSDXUNDHWSRMGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088874
CNC(=O)C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)Cc2cccn2C1	ZINC22_585099107	363.814	MSDXUNDHWSRMGR-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088875
CNC(=O)C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)Cc2cccn2C1	ZINC22_585099108	363.814	MSDXUNDHWSRMGR-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088876
O=C(c1cc(Cl)ccc1F)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_219602861,PC-id_100044259	363.814	GUGVKXJWZXPXNL-KRWDZBQOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-088877
O=C(c1cc(Cl)ccc1F)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_219602952,PC-id_100044261	363.814	GUGVKXJWZXPXNL-QGZVFWFLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-088878
CCCCc1cc2n(c1C(=O)c1occc1Cl)CCCCC2C(=O)O	SCHEMBL11197941,PC-id_20483810	363.835	RCJISSROFBPGEA-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-088879
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1ccc(o1)Cl)C)C	PC-id_20484205,SCHEMBL11203625	363.835	YNGVPYIOTJJHSX-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-088880
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1occc1Cl)C)C	PC-id_20483984,SCHEMBL11195343	363.835	UVQNONKUZNGQHT-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-088881
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1occ(c1)Cl)C)C	PC-id_20484195,SCHEMBL11197368	363.835	KIAPVUIVUWNSFY-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-088882
Clc1c(cc(OCC(O)c2[nH]c3CC(CNC(=O)c3n2)(C)C)cc1)C	EMOLS-id_48641134,PC-id_72906978,MCULE-5268078979	363.839	QQBSCDGPLFYTQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088883
Clc1cc(NC(=O)Cn2nc3CCCCCc3c2)c(OC)cc1OC	PC-id_20892432,CoCoCo_2192260	363.839	MQVVOMPYCIVQRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088884
O[C@H](c1nc2c([nH]1)CC(CNC2=O)(C)C)COc1ccc(c(c1)C)Cl	PC-id_97280638	363.839	QQBSCDGPLFYTQC-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088885
O[C@@H](c1nc2c([nH]1)CC(CNC2=O)(C)C)COc1ccc(c(c1)C)Cl	PC-id_97280639	363.839	QQBSCDGPLFYTQC-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088886
c12nnnn1CCCCC2C(=O)N(C)CCCOc1ccc(cc1)Cl	EMOLS-id_316239928,MCULE-9203040837	363.842	KCZVLRBUAIOFKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088887
Cc1[nH]cc(C(=O)NCCCc2nnc3n2CCCCC3)c(=O)c1Cl	ZINC22_89505470,PC-id_71913889,EMOLS-id_45680853,MCULE-9802272620	363.842	OVLGEQJOPSGAAJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088888
Clc1oc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_51317256	363.842	DXFIXSAHIPOPFF-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-088889
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccncc1Cl)C2	PC-id_100243739,ZINC22_223397605	363.842	HICRCECASUAVDT-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088890
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccncc1Cl)C2	ZINC22_223397546,PC-id_100243728	363.842	HICRCECASUAVDT-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088891
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)c1ccncc1Cl	MCULE-9988220912,EMOLS-id_55696827,PC-id_91792710	363.842	HICRCECASUAVDT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088892
CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H]1CCCCn2nnnc12	ZINC22_1506410322	363.842	KCZVLRBUAIOFKB-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088893
CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_1506410324	363.842	KCZVLRBUAIOFKB-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088894
CN(CC(=O)Nc1ccccc1Cl)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_13508657,CoCoCo_4550173,PC-id_17451018,MCULE-2642951817,ZINC22_14138157,CoCoCo_4550174	363.842	WXKFWBPLVMVTJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088895
COc1ccc(c(c1)Cl)NC(=O)NCCc1nnc2n1CCCCC2	PC-id_86862801	363.842	LQENYBILPZHHJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088896
COc1cc(N)c(cc1C(=O)NCCc1nnc2n1CCCCC2)Cl	PC-id_119839640	363.842	SFKSQMVZZYADEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088897
c1(NC(=O)c2ccccc2Cl)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_6884916,EMOLS-id_5406978,PC-id_1038480,MCULE-4451637880,ZINC22_709387,TIMTEC193965	363.858	HKHOBWATYOFWSC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088898
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)OC	ZINC22_1200205,CoCoCo_683522,EMOLS-id_2368594,PC-id_1358554,TIMTEC143362,MCULE-7322411895	363.858	FFPXKJKTBWMUBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088899
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_2194774,SPECS-id_AK-968/41926648,CoCoCo_6796912,TIMTEC546884,MCULE-4198892051,PC-id_1001409,ZINC22_657076	363.858	XHVPGWGXUQVAKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088900
Clc1ccc(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_7352131	363.858	PEXLSMFYGHEKOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088901
Clc1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_7352116	363.858	SIGATDDRGKBRMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088902
O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1ccccc1Cl	MCULE-9855755009,ZINC22_5362201,EMOLS-id_33804620,PC-id_7650032	363.858	YCFCVYCBCWCCSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088903
c1(NC(=O)CNC(=O)c2ccc(cc2)Cl)sc2c(CCCCC2)n1	EMOLS-id_334604657,MCULE-2572905394	363.862	ULBUACBSPKYICH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088904
c1(NC(=O)Nc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_2758043,TIMTEC514852,PC-id_3510375,ZINC22_4155676,MCULE-7856795181,CoCoCo_6709537	363.862	VYBGMWJXJARLQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088905
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)N	CoCoCo_895556,MCULE-5849418078,ZINC22_656878,EMOLS-id_2439893,TIMTEC351523,PC-id_1001263	363.862	ODTWQEDSAYPTOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088906
Clc1ncccc1C(=O)Nc1sc2c(CCCCCC2)c1C(=O)N	PC-id_3319651	363.862	UCUPWPPRUNZNLP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-088907
Clc1nccc(C(=O)NNC(=O)c2sc3CCCCCCc3c2)c1	PC-id_35431610	363.862	YWJDTROPPKYEIQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-088908
Clc1ncc(C(=O)NNC(=O)c2sc3CCCCCCc3c2)cc1	PC-id_9441652	363.862	FXDSRHWDAZPDEH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-088909
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1ccc(Cl)cc1	PC-id_97524723,EMOLS-id_44379414,ZINC22_96264790	363.862	ABDAAMNRLYQICI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088910
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1ccc(s1)Cl	PC-id_90625604	363.863	CBVDCBCNBHBFNG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-088911
CC[C@@H](O)c1cc2n(n1)CCCN(CCOc1cc(C)ccc1Cl)C2	PC-id_100093094,ZINC22_222391282	363.882	PTVIMGAMRGWUIO-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088912
CC[C@H](O)c1cc2n(n1)CCCN(CCOc1cc(C)ccc1Cl)C2	ZINC22_222391346,PC-id_100093099	363.882	PTVIMGAMRGWUIO-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088913
CCC(O)c1cc2CN(CCOc3cc(C)ccc3Cl)CCCn2n1	EMOLS-id_55668483,PC-id_91782987,MCULE-1190361155	363.882	PTVIMGAMRGWUIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088914
CN=C(N(Cc1cc(cn1C)Cl)C)NCc1nnc2n1CCCCC2	PC-id_109712519	363.888	BZMLOLWGDJZUFY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-088915
Cc1c(Cl)cccc1NC(=S)N[C@@H](C)c1nnc2n1CCCCC2	CoCoCo_4694917,ZINC22_12732523,PC-id_25467507	363.908	XDQHRPBLHKTVJU-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088916
Cc1c(Cl)cccc1NC(=S)N[C@H](C)c1nnc2n1CCCCC2	ZINC22_12732519,PC-id_25467506,CoCoCo_4694918	363.908	XDQHRPBLHKTVJU-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088917
Clc1c(c(NC(=S)NC(c2n3CCCCCc3nn2)C)ccc1)C	EMOLS-id_18816137,PC-id_42945461,MCULE-4928393717	363.908	XDQHRPBLHKTVJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088918
C1CCN2C(=NC=N2)C(C1)C(=O)NCCSCC3=CC(=CC=C3)Cl	PC-id_161948089	364.112	RESODUIADNXSCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088919
Brc1cncc(c1)C(c1cn2c(n1)OC(=O)C=CC(=O)O2)C	PC-id_140443012	364.151	ITEVTIURKONSPX-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-088920
Brc1ccc(C(=O)NC2C(=O)Nc3c([nH][nH]c3=O)N=C2)cc1	PC-id_44721618,SPECS-id_AT-225/JK09802	364.154	BEULAGPAXQAUCO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-088921
CN1C2=C(CC(=O)[C@@H](CC2)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4)C=N1	PC-id_147640246	364.165	GHLVSMLJHDWAQJ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088922
CN1C=C2CC(=O)[C@H](CCC2=N1)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4	PC-id_149088706	364.165	QRTKNVLEIBCTHA-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088923
CN1C=C2CC(=O)[C@@H](CCC2=N1)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4	PC-id_149088707	364.165	QRTKNVLEIBCTHA-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088924
CC(C)(C)C1=CN=C(S1)NC(=O)N(C)CC2=NN=C3N2CCOCC3	MCULE-3892696775,ZINC22_1615548237,EMOLS-id_320330183,PC-id_164630798	364.168	IIDKYPLVUUOTOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088925
Cc1c(cccn1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(ccn2)NC1=C	PC-id_163863062	364.176	PEGBDASGHFHLQB-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088926
C1CCC2=NN=C(N2CC1)C(=CC3=CC=C(C=C3)OCC4CCCO4)C#N	PC-id_154760182,MCULE-9948914023,EMOLS-id_257897079	364.19	VFIORQGBWZJXJD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-088927
CC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=CC4)OC	PC-id_147218401	364.19	CGOQBAGNCJRWOO-UHFFFAOYSA-N	00000000100010101111100000000010000000000000000000000000	31-01-088928
O=C(N1CCCc2c(C1)cco2)c1cc(Br)c2c(c1)OCO2	EMOLS-id_99327316	364.191	FOLSJJCLZGCWIR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-088929
CCC(CC)(CC(=O)NC1=CC2=C(S1)CCCCCC2)C(=O)N(C)C	PC-id_164900195	364.218	YSMIDWLICNOLFO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088930
CCN(CC)C(=O)C(C)(C)CC(=O)NC1=CC2=C(S1)CCCCCC2	PC-id_164900194	364.218	ZZXUDXWFUOYFML-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088931
Clc1cc(NC(=O)C(c2n3CCCCCc3nn2)C#N)ccc1Cl	PC-id_75402594,MCULE-2098643349,EMOLS-id_48210893	364.229	DAPBDOMOSGVELD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088932
Clc1cn2cc(nc2c(c1)Cl)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678219	364.229	DQBAFGKDPZYFOO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-088933
N#CC(c1cccc(c1Cl)Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278163051	364.229	OHRFQKKEVOQMEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088934
N#C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1nnc2n1CCCCC2	PC-id_97184986,ZINC22_95348918	364.229	DAPBDOMOSGVELD-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-088935
N#C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1nnc2n1CCCCC2	PC-id_97184987,ZINC22_95348919	364.229	DAPBDOMOSGVELD-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088936
CCCCCCCCCCCCN1CCC2=C(CC1)SC(=C2)C(=O)[O-]	PC-id_149158743	364.232	CNTTWRXKYRNCEN-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-088937
Clc1ccc(c2nnn(Cc3nnc4n3CCCCC4)n2)c(Cl)c1	EMOLS-id_316819146,ZINC22_519219160,MCULE-7717233161	364.232	JSAWFQLMZYZMQC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088938
Brc1c(OC2CCN(Cc3occc23)C)ccc(c1)C(=O)C	PC-id_68411761	364.234	KJJPKWQHXYLHAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088939
Brc1ccc(c(c1)O)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101676524	364.237	UVZNQAFMDYTXKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088940
BrC1CCN(c2nn(cc2C1=O)Cc1ccc(OC)cc1)C	PC-id_66667560,SCHEMBL366319	364.237	JOXMCAKQGBNGFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088941
BrCC(=O)N1CCCn2c(C1)cc(n2)OCc1ccccc1	SCHEMBL16309610,PC-id_117752001	364.237	FYJLIIQTBYCXTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088942
CCCC1=C(C=NN1C2=CC=CC=C2C)NCC3=NN=C4N3CCCCC4	PC-id_154796556	364.238	MSKBKFKYUWTGKC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-088943
Brc1cc(C(=O)NCCc2n3CCCCCc3nn2)cnc1	PC-id_51307446	364.24	DEMCETWTFPQWJB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088944
Brc1cncc(c1)C(=O)N(C1CCn2c(CC1)nnc2C)C	MCULE-2349834841,PC-id_91910789,EMOLS-id_50590444	364.24	MISVFRMRADOUOF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088945
Brc1cnc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101851642	364.24	VYNZLYGNPIEZOJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088946
O=C(c1cc(C)c(cc1C)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102181002	364.24	XCOSEYHTLWPOAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088947
O=C(c1[nH]nc(c1Br)C1CC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101670221	364.24	DUJAFOPXHPGXNO-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-088948
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(n1)C)Br	EMOLS-id_101871354	364.24	XSONRLYVCGTTRE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088949
Brc1ccc(C(=O)CN2c3c(scc3)CCCC2=O)cc1	PC-id_63747754	364.257	XJWGKIRIHBRDCF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088950
Brc1cc(C(=O)CN2c3c(scc3)CCCC2=O)ccc1	PC-id_63749157	364.257	AQAHJPCSKNZAGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088951
Brc1c(C(=O)CN2c3c(scc3)CCCC2=O)cccc1	PC-id_63747928	364.257	IMVRZYNZJJOBTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088952
C[C@H]1C(=O)N[C@@H](C2=NC(=NN2CCNCCCC(=O)N1C)C)CC(C)C	PC-id_165422087	364.259	HTXJTYJJQPCFGD-DZGCQCFKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-088953
Brc1cc([nH]c1)C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_60667299	364.26	FDYQFWIFTCEDDJ-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-088954
c1(NC(=O)C(Cl)Cl)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-6219254594,EMOLS-id_2439875,PC-id_2930789,ChEMBL-DNDi_CHEMBL7223813,SPECS-id_AK-968/41925609,TIMTEC597311,CoCoCo_895537	364.287	ZLZUKUDBXJBWAY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088955
ClC(Cl)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCCC	PC-id_4205068	364.287	BORGVTLFWQZNNE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088956
ClC(Cl)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC(C)C	PC-id_4380243	364.287	BUEYAYWHEYNMPC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-088957
FC(c1cc(CN2CCCn3c(C2)ncn3)cc(c1)C(F)(F)F)(F)F	PC-id_143775154	364.289	NIQIJQWNLIBHCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088958
FC(c1cc(CN2CCCn3c(C2)nnc3)cc(c1)C(F)(F)F)(F)F	PC-id_143775150	364.289	NALXOOAYBPRQNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088959
Brc1ccc(CNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_63529473	364.3	SFVBMBCLZUVBKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088960
Brc1cc(c(NC(=O)c2sc3CCCCCc3c2)cc1)C	PC-id_29298433	364.3	GUYQUUARQQSTHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088961
Brc1c(cc(NC(=O)c2sc3CCCCCc3c2)cc1)C	PC-id_7959257	364.3	ZKADDEQTALXSBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088962
Brc1cc(CNC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_63530310	364.3	AFWKJTRQXUKVFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088963
Brc1cc(NC(=O)c2sc3CCCCCc3c2)c(cc1)C	PC-id_43806554	364.3	ZJWLVRDUSLOGPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088964
Brc1cc(NC(=O)c2sc3CCCCCc3c2)ccc1C	PC-id_63529821	364.3	ZKJOSHZUKMGZPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088965
Brc1c(CNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_63531158	364.3	SXTQWLFPPVFHRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088966
Brc1c(NC(=O)c2sc3CCCCCc3c2)ccc(c1)C	PC-id_7929880	364.3	STLVYADIRLZOFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088967
Brc1c(NC(=O)c2sc3CCCCCc3c2)cccc1C	PC-id_81703116	364.3	PMDUTACOYHOHHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088968
Brc1c(NC(=O)c2sc3CCCCCc3c2)cc(cc1)C	PC-id_82746358	364.3	WGALITDKQNLEJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088969
BrCc1cccc(c1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_114307236	364.3	CKWBBIAGFWHMAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088970
BrCc1ccccc1NC(=O)c1cc2c(s1)CCCCC2	PC-id_114309619	364.3	HEVXCCFMGUMZKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088971
BrCc1ccc(NC(=O)c2sc3CCCCCc3c2)cc1	PC-id_81749235	364.3	NMPFIZXOSUCUSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088972
c1(csc2CCCCCc12)C(=O)Nc1ccc(c(C)c1)Br	MCULE-7597376729,CoCoCo_2171547,PC-id_20881855,EMOLS-id_16062813	364.3	DRNHECIHSPQYTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088973
Cc1cc(Br)cc(c1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_107583878	364.3	GOEDLZCMUUZPNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088974
C/C=CC(=C/C=C)S(=O)n1ccc2c1CC=CC(=C2)CBr	PC-id_143204320	364.3	CQATVTDPDYJFKI-PXITWRNRSA-N	00000000100000000110000000000010000000000000000000000000	31-01-088975
O=C(c1cc2c(s1)CCCCC2)Nc1cccc(c1C)Br	PC-id_107640523	364.3	CYDMKCGWTKJXEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088976
Brc1c(/C=C/CN2CCc3sc(nc3CC2)N)cccc1	PC-id_19985780,SCHEMBL7282530	364.303	QPKDPWOFAQBAOL-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088977
Brc1c(C=CCN2CCc3sc(nc3CC2)N)cccc1	PC-id_54240092	364.303	QPKDPWOFAQBAOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088978
COc1cncc(c1)C(=O)Nc1nc2c([nH]1)/C=C(C)/OC(O/C=C/2)(F)F	PC-id_145689455	364.304	CQXDFVPGYGVOAY-PRKJJMSOSA-N	00000000100000101111000000000010000000000000000000000000	31-01-088979
FC(F)(F)Oc1ccc(NN=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_4121452,EMOLS-id_44490055,MCULE-4539215503	364.325	SGNPUCAYJRRCDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088980
FC(F)(F)Oc1ccc(N/N=C(c2n3CCCCCc3nn2)/C#N)cc1	PC-id_6015056,CoCoCo_3728750	364.325	SGNPUCAYJRRCDT-XKZIYDEJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088981
N#C/C(=NNc1ccc(OC(F)(F)F)cc1)/c1nnc2n1CCCCC2	PC-id_6379430,ZINC22_5525110,CoCoCo_3728749	364.325	SGNPUCAYJRRCDT-LPYMAVHISA-N	00000000100000110101000000000010000000000000000000000000	31-01-088982
C1Cn2cc(nc2OCCN1CC(=O)NNc1cc(ccc1)F)[N+](=O)[O-]	SCHEMBL14966076,PC-id_89580382	364.332	NDCNEDYLVSTRBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088983
Brc1cc2c(s1)CCC(NCCCc1ccccc1)CC2	CHEMBL4632765	364.343	COEFOOWNWLEYHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088984
Brc1ccc(CC(NC)c2sc3c(CCCCC3)c2)cc1	PC-id_63526691	364.343	NPIKTZOGQFLMSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088985
Brc1c(cc(C(N)c2sc3c(CCCCC3)c2)c(c1)C)C	PC-id_64182437	364.343	WDKWWNMSBYTLAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088986
Brc1cc(CC(NC)c2sc3c(CCCCC3)c2)ccc1	PC-id_63528295	364.343	DMEZRNIURKAASG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088987
Brc1ccc(C(NCC)c2sc3c(CCCCC3)c2)cc1	PC-id_43488615	364.343	IFIRALOFQCBGMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088988
CNC(c1cc2c(s1)CCCCC2)Cc1ccccc1Br	PC-id_115787307	364.343	ZOFXPFMTPABAOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-088989
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Nc1ccc(c(F)c1)F	ZINC22_72479121,MCULE-6752954279,EMOLS-id_43174783,PC-id_70781694	364.347	HVFKVLJVFFCMEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088990
COC(=O)C(c1cc(F)ccc1F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278131828	364.347	CCVDZVMWDYSADP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088991
CCOC(=O)c1c(c(c2-c1ccc(cc2)[N+](=O)[O-])C=Nc1ccccc1)O	PC-id_136814873	364.351	IFQMIWZMZOXQNZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-088992
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OCCNS2(=O)=O	SCHEMBL18353521	364.352	RCUCDPIHJKKGDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-088993
Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](Oc3ccc(C#N)cn3)C2)on1	ZINC22_306142651	364.358	XFOLYVLPNLFHQS-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088994
Cc1cc(C(=O)N2Cc3ccnn3C[C@H](Oc3ccc(C#N)cn3)C2)on1	ZINC22_306142652	364.358	XFOLYVLPNLFHQS-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088995
Cc1cc(on1)C(=O)N1CC(Cn2nccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50019754	364.358	XFOLYVLPNLFHQS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088996
Cc1ncoc1C(=O)N1Cc2ccnn2C[C@@H](Oc2ccc(C#N)cn2)C1	ZINC22_306138352	364.358	RVTJCKPISKQMJT-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088997
Cc1ncoc1C(=O)N1Cc2ccnn2C[C@H](Oc2ccc(C#N)cn2)C1	ZINC22_306138353	364.358	RVTJCKPISKQMJT-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-088998
O=C(C1CCn2c(CC1)nnc2)NC1(CC1)c1cccc(c1)C(F)(F)F	EMOLS-id_319125601	364.365	VFBOAAVNJGGECJ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-088999
O=C(N1CC(C1)c1cccc(c1)C(F)(F)F)C1CCn2c(CC1)nnc2	EMOLS-id_319371299	364.365	QVNZOJPCWCAITP-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-089000
O=C(N1CCCc2c(C1)cnn2C)NC1CCc2c1c(F)c(c(c2)F)F	EMOLS-id_101703656	364.365	QDZMVPUNBRTZSD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-089001
COCCn1nc2CCN(CCn2c1=O)C(=O)COc1ccc(F)cc1	EMOLS-id_50589981,PC-id_91910656,MCULE-2437137924	364.371	UFZSVJBRHIVAKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089002
c1(NC(=O)c2ccc(N(=O)=O)o2)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_5018656,EMOLS-id_30109404,ChEMBL-DNDi_CHEMBLF0882-1372,PC-id_5049579,ZINC22_4194747,MCULE-2047227855	364.373	DFGNJSSCMOSMJA-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-089003
Fc1ccc(c2oc(C(=O)C(c3n4CCCCCc4nn3)C#N)cc2)cc1	EMOLS-id_45636429,MCULE-8630002204,PC-id_71942051	364.373	JLQYKCGFFCHNLQ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-089004
N#C[C@H](C(=O)c1ccc(c2ccc(F)cc2)o1)c1nnc2n1CCCCC2	PC-id_93774783,ZINC22_41509446	364.373	JLQYKCGFFCHNLQ-OAHLLOKOSA-N	00000000101000110101100000000010000000000000000000000000	31-01-089005
N#C[C@@H](C(=O)c1ccc(c2ccc(F)cc2)o1)c1nnc2n1CCCCC2	ZINC22_41509450,PC-id_93774786	364.373	JLQYKCGFFCHNLQ-HNNXBMFYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-089006
OC(c1ccc(cc1)[N+](=O)[O-])CCC1CC[n+]2c(C(O1)(C)C)c(=O)o[nH]2	PC-id_102271560	364.373	RMVGUCUBSQOPEE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-089007
O=C(NS(=O)(=O)c1ccc2c(c1)OCO2)c1noc2c1CCCCC2	ZINC22_408485697,PC-id_136534120,MCULE-6482647919,EMOLS-id_112072216	364.373	HTPXKVQOSFVXNI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-089008
c1(NC(=O)c2n[nH]cc2N(=O)=O)sc2c(CCCCC2)c1C(=O)OC	MCULE-3649718223,EMOLS-id_4041728,CoCoCo_6583433,TIMTEC445018,CoCoCo_6583434,ZINC22_6265872,PC-id_17021455	364.376	SEFCBKZUFNRYGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089009
OCc1cc2CN(CCCn2n1)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1	MCULE-4128832037,PC-id_91763122,EMOLS-id_55611553	364.376	RMNXGOOCZJEGOI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089010
s1c2CCCCCCc2cc1C(=O)NNC(=O)COCC(F)(F)F	PC-id_52608722	364.383	BVKUURSBFGYSBY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089011
FC(c1cc(C(=O)Nc2c(C#N)c3c(CCCCC3)s2)ccc1)(F)F	EMOLS-id_43827648,ZINC22_3209599,CoCoCo_3268386,MCULE-2918782052,PC-id_2329932	364.385	KDZJNJVCTKFUNI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089012
N#C/C(=Cc1ccc(cc1)SC(F)(F)F)/c1nnc2n1CCCCC2	CoCoCo_4367081,PC-id_16300379	364.388	UMRJUVCMGOQXBL-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089013
N#C/C(=C/c1ccc(cc1)SC(F)(F)F)/c1nnc2n1CCCCC2	CoCoCo_4367082	364.388	UMRJUVCMGOQXBL-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089014
N#CC(=Cc1ccc(cc1)SC(F)(F)F)c1nnc2n1CCCCC2	MCULE-2761307243,PC-id_72062038,EMOLS-id_26222001	364.388	UMRJUVCMGOQXBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089015
CCC(C(c1c(F)cccc1F)O)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316687306	364.39	QDHLSSRTQKWHSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089016
CN(C)C(=O)CO[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn2C1	ZINC22_247954612	364.39	COLZPCVSBRVNTC-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089017
CN(C)C(=O)CO[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn2C1	ZINC22_247954615	364.39	COLZPCVSBRVNTC-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089018
COCC(=O)NCC1CN(Cc2ccc(F)c(F)c2)Cc2ccnn2C1	EMOLS-id_50375341	364.39	JAEYWLBLVSKYKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089019
COCC(=O)NC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn2C1	ZINC22_247824506	364.39	JAEYWLBLVSKYKG-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089020
COCC(=O)NC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2ccnn2C1	ZINC22_247824511	364.39	JAEYWLBLVSKYKG-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089021
FC1(F)CC(C1)C(=O)NCC1CN(Cc2ccoc2)Cc2ccnn2C1	EMOLS-id_50375249	364.39	SGMMYGMYDXABKJ-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-089022
O=C(C1CCn2c(CC1)nnc2)Nc1cc(F)c(c(c1)F)OC(C)(C)C	EMOLS-id_316640606	364.39	RNRDTDUEAMSIDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089023
O=C(NC[C@H]1CN(Cc2ccoc2)Cc2ccnn2C1)C1CC(F)(F)C1	ZINC22_306138758	364.39	SGMMYGMYDXABKJ-AWEZNQCLSA-N	00001000101000000101000000000010000000000000000000000000	31-01-089024
O=C(NC[C@@H]1CN(Cc2ccoc2)Cc2ccnn2C1)C1CC(F)(F)C1	ZINC22_306138759	364.39	SGMMYGMYDXABKJ-CQSZACIVSA-N	00001000101000000101000000000010000000000000000000000000	31-01-089025
c1(c2c(oc(C)c2c(=O)ccc1N=Nc1ccc(C(=O)C)cc1)C)OCC	MCULE-2766231236	364.394	DODCQHUKNMPHTI-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-089026
CCOc1c(ccc(=O)c2c(C)oc(C)c12)/N=N/c1ccc(cc1)C(=O)C	EMOLS-id_46572952,PC-id_71296812,ZINC22_95482129	364.394	DODCQHUKNMPHTI-GHVJWSGMSA-N	00000000100000110110000000000010000000000000000000000000	31-01-089027
s1c2CCCCCCc2nc1NC(=O)c1c(N)c([N+](=O)[O-])cc(F)c1	PC-id_56502490	364.395	GRRHTNAGQUPHNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089028
c12C(=O)N(CCCn1nc(C(=O)NCc1ccco1)c2)Cc1ccccc1	EMOLS-id_32846000,PC-id_50798044,MCULE-1224387677	364.398	ALIIZECJTWJNMI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089029
c1(ccoc1C)C(=O)Nc1ccc(cc1)C(=O)N1CCCn2cncc2C1	EMOLS-id_43141170,PC-id_56903812,ZINC22_72149731,MCULE-8022658655	364.398	NVBMWTIZOCETSV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089030
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1ccccc1)[N+](=O)[O-]	PC-id_89584388,SCHEMBL14971108	364.398	GDQKRMPGEOTAJW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089031
C1Cn2cc(nc2OCCN1Cc1ccccc1c1ccccc1)[N+](=O)[O-]	SCHEMBL14965682,PC-id_89580101	364.398	WRINBYZLXSVRPO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089032
C1CN(CCc2c1nc(o2)C(=O)Nc1cnccc1)Cc1cc(ccc1)O	PC-id_134805554	364.398	HSHMFHWAGRRJTI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089033
Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCn3cncc3C2)o1	MCULE-6836387001,PC-id_56888626,ZINC22_72135449,EMOLS-id_43083915	364.398	MKBGGQCDFDAAQB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089034
Cc1ccc(o1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	PC-id_137639307	364.398	KQWXJGOCMPIPHC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089035
Cc1ccn(c2ccccc2CNC(=O)c2cc3c(o2)CCCNC3=O)n1	ZINC22_2325771290	364.398	XUMNHVIZRQUBQP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089036
Cc1cc(=O)cc(C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)o1	ZINC22_2356163930,MCULE-7941859848,EMOLS-id_337793918	364.398	XMEZMIDSMYBCMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089037
Cc1coc(c1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	PC-id_137661873	364.398	QYROUEPGMALNNI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089038
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)NC(=O)c2ccccc2)C1	PC-id_137632057	364.398	HMMYXWXLHAEPEQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089039
COc1ccc(C(=O)N2Cc3cccn3C[C@@H](Oc3ncccn3)C2)cc1	ZINC22_248138548	364.398	OQOUJPPWIAVUQZ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089040
COc1ccc(C(=O)N2Cc3cccn3C[C@H](Oc3ncccn3)C2)cc1	ZINC22_248138550	364.398	OQOUJPPWIAVUQZ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089041
O1CCN(CCn2c1nc([N+](=O)[O-])c2)Cc1cc(ccc1)c1ccccc1	SCHEMBL14971091,PC-id_71569829	364.398	JIFBBFQSENESPQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089042
o1c(C(=O)N2CCCn3nc(cc3C2)C(=O)Nc2ccccc2)c(cc1)C	PC-id_50956425	364.398	NEHPZFMJAQPIAP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089043
c1(c2ccccc2[nH]n1)C(=O)N1CCCn2c(cc(n2)C(=O)NC2CC2)C1	PC-id_50971828,EMOLS-id_32412944,ZINC22_67774637,MCULE-9079068528	364.401	FKFZHNWLWNPGFR-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-089044
c1(ccc(=O)n(C)n1)C(=O)N1CCn2c(CC1)nnc2Cc1ccccc1	ZINC22_216232759,PC-id_77094516,EMOLS-id_49894141,MCULE-6435174194	364.401	BJLVOIQDDNUQLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089045
c1(c(C)[nH]c(c2ccccc2)n1)C(=O)N1CCn2c(CC1)nc(C(=O)N)c2	EMOLS-id_331150894,ZINC22_1875248754,MCULE-6242874795	364.401	LYXBXHPYHLRGGF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089046
c1(cnc[nH]c1=O)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	ZINC22_67726397,MCULE-2562590904,EMOLS-id_36434622,PC-id_56707459	364.401	YPZOBUMHDLXMDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089047
c1(C(=O)NC2CC2)cc2n(CCCN(C(=O)c3ccc4c(c3)nc[nH]4)C2)n1	PC-id_50970891,ZINC22_67757685,MCULE-6522099463,EMOLS-id_32411208	364.401	PFMBHYKPEARPET-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-089048
c1(C(=O)Nc2c(C)ccc(c2)c2ccc(=O)[nH]n2)cn2c(CCNCC2)n1	MCULE-6019471736,ZINC22_1857739011,EMOLS-id_330443869	364.401	IRHIGKOUQQYDIF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089049
c1(C(=O)OC)cc2n(CCCN(Cc3cnc(nc3)c3ccccn3)C2)n1	EMOLS-id_32430718,PC-id_50981247,MCULE-8864066539,ZINC22_65507688	364.401	ILUVXGVIEFSFOP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-089050
Cc1ccccc1C(=O)N1CCc2n(CC1)c(nn2)COc1cncnc1	PC-id_97405417	364.401	YKWMKSAWIUNDIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089051
Cc1cccc(c1)C(=O)N1CCc2n(CC1)c(nn2)COc1cncnc1	PC-id_97405418	364.401	ZNEGREHNPWNDCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089052
Cc1ncc(nc1)C(=O)N1CCc2nn(c(=O)n2CC1)Cc1ccccc1	PC-id_91922502	364.401	MIZYAKBGARUGJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089053
Cn1nccc1C(=O)N1CCCn2ncc(C(=O)Nc3ccccc3)c2C1	EMOLS-id_313764301,ZINC22_1565548511	364.401	DLJROILJBBOGIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089054
COc1cc(ccn1)C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	EMOLS-id_44719286,ZINC22_91624798,MCULE-8106098431,PC-id_70740154	364.401	BTIDNNCSHZCSCP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089055
n12CCN(CCc1nnc2Cc1ccccc1)C(=O)Cn1cccnc1=O	PC-id_74230335,EMOLS-id_49639423,MCULE-7038928179,ZINC22_97088600	364.401	FKISBVBPHDIOCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089056
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)c1ccc(=O)[nH]n1	PC-id_56713577,EMOLS-id_36447309,MCULE-6849169830,ZINC22_67723245	364.401	NHPOQQSSYXQCRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089057
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)c1cnc(cn1)O	MCULE-9274880290,EMOLS-id_36445201,PC-id_56712548,ZINC22_67678477	364.401	YDXAVNRIAZRTJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089058
o1c2c(n(Cc3nnn(Cc4n[nH]c5c4CCCCC5)c3)c1=O)cccc2	EMOLS-id_46053405,PC-id_72876963,MCULE-2992372338	364.401	ZXHKQKMEWFFXQN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089059
o1nc(C2CC2)cc1C(=O)N1CCn2c(nnc2Cc2cccnc2)CC1	PC-id_72935891,MCULE-6499908729,EMOLS-id_46649346	364.401	PMENMXHPWGPWPK-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-089060
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1ccn(n1)Cc1ccccc1	SCHEMBL18367345	364.401	CNZIZIPYEYKZRY-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089061
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1ncn(c1)Cc1ccccc1	SCHEMBL18367365	364.401	ZLBVDUJIAKINEL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089062
O=C1Nc2ccn(c2CCC1NC(=O)c1nnc([nH]1)Cc1ccccc1)C	SCHEMBL19031696	364.401	AYHNDUHKDXVJDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089063
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1C)Oc1ncccn1	EMOLS-id_316487052,MCULE-6388395977	364.401	QVQCDUDGYYYKJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089064
O=C(NC1CC1)c1nn2c(CN(CCC2)C(=O)c2c3n(nc2)cccc3)c1	PC-id_50967319	364.401	RQMHRYYZEPYBSG-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-089065
O=C(NCc1ccccc1)C1CN(Cc2ncnn2C1)C(=O)c1cc[nH]c1	EMOLS-id_313721816	364.401	JATQMDOILCSAEQ-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-089066
O=C(NCc1ccccc1)c1cnn2c1CN(C(=O)c1cc[nH]n1)CCC2	EMOLS-id_313765582,ZINC22_1565549775	364.401	CHXGMMRMAIHKIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089067
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2cc[nH]c2)Cc2ncnn2C1	ZINC22_1565545601	364.401	JATQMDOILCSAEQ-MRXNPFEDSA-N	00000000110000110101000000000010000000000000000000000000	31-01-089068
O=C(NCc1ccccc1)[C@H]1CN(C(=O)c2cc[nH]c2)Cc2ncnn2C1	ZINC22_2055704318	364.401	JATQMDOILCSAEQ-INIZCTEOSA-N	00000000110000110101000000000010000000000000000000000000	31-01-089069
c12ncccn1cc(C(CC)NC(=O)N1CCCn3nc(C#N)cc3C1)n2	MCULE-4404965307,EMOLS-id_177504912	364.404	CRQYQWAITHHSDZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089070
c1(cc([nH]n1)Cn1c(C)cc(C)n1)C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_67955405,EMOLS-id_36612828,PC-id_56758583,MCULE-5436686813	364.404	WXHRNYFQNVICNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089071
CC[C@H](NC(=O)N1CCCn2nc(C#N)cc2C1)c1cn2cccnc2n1	ZINC22_584903283	364.404	CRQYQWAITHHSDZ-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089072
CC[C@@H](NC(=O)N1CCCn2nc(C#N)cc2C1)c1cn2cccnc2n1	ZINC22_584903284	364.404	CRQYQWAITHHSDZ-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089073
s1c2CCCCCCc2cc1C(=O)OCC(=O)c1c(F)cc(F)cc1	PC-id_18205865	364.406	QMPGXEIXHNTPFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089074
c1(NC(=O)c2c(cccc2F)F)sc2c(CCCCCC2)c1C(=O)N	PC-id_2971304,CoCoCo_543044,EMOLS-id_2043206,ZINC22_4801786,MCULE-9524781563,TIMTEC248197	364.41	JSRSICYUEAEKJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089075
s1c2CCCCCc2cc1C(=O)NN=Cc1c(OC(F)F)cccc1	PC-id_78620819	364.41	HYDBUUVINOXWDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089076
s1c2c(CCCCC2)c(c1NC(=O)c1c(F)cccc1F)C(=O)NC	PC-id_7475107	364.41	YJLBASAMEOZFKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089077
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(F)ccc(F)c1	PC-id_30494211	364.41	CTWMTLOHOPKCPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089078
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(F)cc(F)cc1	PC-id_24643158	364.41	MGAGYBMWGHTPRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089079
Fc1ccc(cc1)C(=O)C1CCCn2c(C1)cc(n2)OCc1ccccc1	PC-id_118065833,SCHEMBL16704547	364.413	XVMLBVYZCFELDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089080
O=C(C1(COc2c(OC1)csc2)C(=O)c1ccccc1)c1ccccc1	SCHEMBL14494116,PC-id_71188190	364.414	SMVUZBRUMVOJCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089081
Fc1cccc(c1)c1cccc(c1)C(=O)NCc1cc2CNCCCn2n1	EMOLS-id_44442837,ZINC22_82133722,PC-id_70759942,MCULE-8665613567	364.416	CMVOMBLZIKPDMA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089082
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)CCC1=O)C(=O)OC	PC-id_4356740	364.416	RMNNBUHNTQMSLE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-089083
Cc1ccc(S(=O)(=O)NCc2nnc3n2CCCCC3)cc1C(=O)O	ZINC22_13088871,MCULE-1478430928,PC-id_45421295,EMOLS-id_45730141	364.419	WBFKJXKAKZPUCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089084
CCOC(=O)C(=Cc1cc2c(s1)CCN(CC2)C(=O)OCC)N=[N+]=[N-]	PC-id_90410932	364.419	BCCVMYZLMOEXBW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089085
Cn1nc2CCN(CCn2c1=O)C(=O)Cc1ccc(cc1)S(=O)(=O)C	EMOLS-id_50589933,MCULE-6972293178,PC-id_91922392	364.419	OHGKRIKQKUAVJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089086
COc1cc(C(=O)N2CC[C@H](C(=O)N(C)C)c3nc(C)sc3C2)on1	ZINC22_2055729951	364.419	IAWFNHYHZROQRP-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-089087
COc1cc(C(=O)N2CC[C@@H](C(=O)N(C)C)c3nc(C)sc3C2)on1	ZINC22_2055729952	364.419	IAWFNHYHZROQRP-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089088
COc1cc(on1)C(=O)N1CCC(C(=O)N(C)C)c2nc(C)sc2C1	EMOLS-id_313743065	364.419	IAWFNHYHZROQRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089089
CS(=O)(=O)CC(=O)N1Cc2ccnn2C[C@@H](OCc2cccnc2)C1	ZINC22_247490861	364.419	BJWDDUQMHZOYHH-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089090
CS(=O)(=O)CC(=O)N1Cc2ccnn2C[C@H](OCc2cccnc2)C1	ZINC22_247490869	364.419	BJWDDUQMHZOYHH-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089091
CS(=O)(=O)CC(=O)N1CC(Cn2nccc2C1)OCc1cccnc1	EMOLS-id_50018052	364.419	BJWDDUQMHZOYHH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089092
[N-]=[N+]=N/C(=Cc1sc2c(c1)CCN(CC2)C(=O)OCC)/C(=O)OCC	SCHEMBL16038738	364.419	BCCVMYZLMOEXBW-RAXLEYEMSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089093
OC(=O)c1ccc(c(c1)S(=O)(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_35684763,MCULE-1887952899,PC-id_45298647	364.419	CQWDJOCURVBWFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089094
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCC(Cc2c1cnn2C)(C)C	PC-id_23119949,SCHEMBL5474855	364.419	XGIOYEOPTSDEBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089095
C1CCc2c(CC1)sc(c2C#N)/N=C/c1c[nH]c2c1c(ccc2)[N+](=O)[O-]	PC-id_137224986	364.421	NUDBIVLLDMBRSE-SSDVNMTOSA-N	00000000100000100100000001100010000000000000000000000000	31-01-089096
Cc1cnc(cn1)C(=O)N1CC(CNS(=O)(=O)C)Cn2nccc2C1	EMOLS-id_50372181	364.423	REQSDKHSIRHDFW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089097
Cc1cnc(cn1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	MCULE-8310883935,PC-id_70739116,ZINC22_82109214,EMOLS-id_44435575	364.423	ZBEBATZZUDDTPZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089098
Cc1cnc(C(=O)N2Cc3ccnn3C[C@H](CNS(=O)(=O)C)C2)cn1	ZINC22_306137740	364.423	REQSDKHSIRHDFW-GFCCVEGCSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089099
Cc1cnc(C(=O)N2Cc3ccnn3C[C@@H](CNS(=O)(=O)C)C2)cn1	ZINC22_306137741	364.423	REQSDKHSIRHDFW-LBPRGKRZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089100
Cc1ncncc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70733886,EMOLS-id_44433767,ZINC22_82107918,MCULE-5114986236	364.423	JPIUPGCAYIWPBW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089101
Cn1c(N)c(C(=O)CSc2nnc3n2CCCCC3)c(=O)n(C)c1=O	EMOLS-id_11706305,PC-id_9166179,ZINC22_8036386,CoCoCo_3082231,MCULE-8022357636,CHEMBL1867564	364.423	XFSBISVTHALSII-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089102
NC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1cc2CNCCCn2n1	ZINC22_82106571,PC-id_70729222,MCULE-9164921697,EMOLS-id_44432051	364.423	VSJCZHGMGSRUCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089103
O/C(=C/Sc1nnc2n1CCCCC2)/c1c(N)n(C)c(=O)n(c1=O)C	CoCoCo_3082233,CoCoCo_3082234	364.423	JEUGNQSMANSIRG-CMDGGOBGSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089104
O/C(=CSc1nnc2n1CCCCC2)/c1c(N)n(C)c(=O)n(c1=O)C	CoCoCo_3082235,CoCoCo_3082232	364.423	JEUGNQSMANSIRG-HJWRWDBZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089105
O=C(N1CCCc2c(C1)c[nH]n2)COc1nsnc1N1CCOCC1	EMOLS-id_316655824	364.423	HRUMGWIRHUFZTB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-089106
FC(COc1nc2c(s1)CCN(CC2)CCC1CCCCO1)(F)F	PC-id_145451957	364.426	DJOUUCCVZCGVSW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089107
FC(COc1nc2c(s1)CCN(CC2)CC[C@H]1CCCCO1)(F)F	PC-id_145451487	364.426	DJOUUCCVZCGVSW-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089108
Cn1c2c(CCCCC2Cc2ccc(cc2)F)c(n1)C=CS(=O)(=O)O	PC-id_87635252,SCHEMBL4211891	364.434	AWJFATYFKGCVJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089109
Cn1c2c(CCCCC2Cc2cc(ccc2)F)c(n1)C=CS(=O)(=O)O	PC-id_87636272,SCHEMBL4218289	364.434	ZVIHVENVKMQYCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089110
Fc1ccc(cc1)CC1CCCCc2c1n(C)nc2/C=C/S(=O)(=O)O	SCHEMBL4211888	364.434	AWJFATYFKGCVJQ-ZHACJKMWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089111
Fc1cccc(c1)CC1CCCCc2c1n(C)nc2/C=C/S(=O)(=O)O	SCHEMBL4218284	364.434	ZVIHVENVKMQYCH-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089112
O1C(CC(O)CC1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O	PC-id_78026942	364.434	UYFJCMHNHMUQSO-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-089113
O1[C@H](C[C@@H](O)C[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O	SCHEMBL14536432,PC-id_71196302	364.434	UYFJCMHNHMUQSO-SXWKCWPCSA-N	00000010100010110110100000000010000000000000000000000000	31-01-089114
OC[C@@H]1CC(O)C[C@@H](O1)c1cc(ccc1O)Cc1cc2-c(c1)ccccc2	PC-id_143574292	364.434	UYFJCMHNHMUQSO-AVVPKOCDSA-N	00000010100010110110100000000010000000000000000000000000	31-01-089115
c12CN(CCCn1nc(CN1CCC(CC1)(F)F)c2)Cc1[nH]cnc1C	ZINC22_72173801,MCULE-9298539338,PC-id_56918064,EMOLS-id_43182623	364.436	KJHJXOXJXGLHTI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089116
s1c2c(CCCCCCC2)c(c1NC(=O)/C=C/C(=O)[O-])C(=O)OCC	PC-id_40438156	364.436	ABHGPJZXPWCECR-ZHACJKMWSA-M	00000000100000000100000000000010000000000000000000000000	31-01-089117
s1c2c(CCCCCCC2)c(c1NC(=O)C=CC(=O)[O-])C(=O)OCC	PC-id_74682859	364.436	ABHGPJZXPWCECR-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-089118
Cn1c2CCN(CCc2nc1C(=O)NCc1cccs1)C(=O)CCF	EMOLS-id_313768655,ZINC22_1565556695	364.438	RGUHMLXAHKNKAR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-089119
O=C1Nc2c(/C/1=C/c1[nH]c3c(CCCCC3)c1CCC(=O)O)c(ccc2)C	PC-id_60113752,SCHEMBL6692432	364.438	QTEHKIJPCUINMQ-VBKFSLOCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-089120
O=C1Nc2c(C1=Cc1[nH]c3c(CCCCC3)c1CCC(=O)O)c(ccc2)C	PC-id_72651839	364.438	QTEHKIJPCUINMQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-089121
c12CN(CCCn1nc(CCC(=O)N1CCOCC1)c2)C(C)C(=O)OC	PC-id_70742260,EMOLS-id_44436717,MCULE-4687036129	364.439	MPYMUHFCHCUVPX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089122
c12CN(CCCn1nc(CNC(=O)COCCOC)c2)C(=O)C1CCC1	ZINC22_92037558,MCULE-7524157834,PC-id_72933535,EMOLS-id_46094605	364.439	KVGWJFHQDCCIJE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-089123
c1(C(=O)OC)cc2n(CCCN(C(=O)CC3OCCN(C(C)C)C3)C2)n1	EMOLS-id_32373532,PC-id_50951014,MCULE-9610716901	364.439	BBVZRCUMCJMNJX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089124
CCCCNC(=O)Nc1c(C(=O)N)c2n(c1C(=O)OCC)CCCCC2	PC-id_394192,CoCoCo_5764224,NSC697461	364.439	RWZGYFQWQFSRTM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089125
COC(=O)c1cc2n(n1)CCCN(C(=O)C[C@@H]1CN(C(C)C)CCO1)C2	ZINC22_65373336,PC-id_95120937	364.439	BBVZRCUMCJMNJX-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089126
COC(=O)c1cc2n(n1)CCCN(C(=O)C[C@H]1CN(C(C)C)CCO1)C2	ZINC22_65373337,PC-id_95120938	364.439	BBVZRCUMCJMNJX-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089127
COC(=O)[C@@H](C)N1CCCn2nc(CCC(=O)N3CCOCC3)cc2C1	PC-id_96576005,ZINC22_82114739	364.439	MPYMUHFCHCUVPX-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089128
COC(=O)[C@H](C)N1CCCn2nc(CCC(=O)N3CCOCC3)cc2C1	ZINC22_82114737,PC-id_96576004	364.439	MPYMUHFCHCUVPX-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089129
n1c(C(CO)O)cc2CN(CCCn12)C(=O)CCN1CCCCCC1=O	MCULE-3380252668,EMOLS-id_50549399,PC-id_90653742	364.439	HNGYSGGIARVVNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089130
N#C/C(=C/c1ccc(s1)c1ccc(cc1)F)/c1nnc2n1CCCCC2	CoCoCo_4548819	364.439	WFHHBKAKUVHXTH-QINSGFPZSA-N	00000000100100110101100000000010000000000000000000000000	31-01-089131
N#CC(=Cc1ccc(s1)c1ccc(cc1)F)c1nnc2n1CCCCC2	MCULE-3466800483,PC-id_72058497,EMOLS-id_26229878	364.439	WFHHBKAKUVHXTH-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-089132
N#C/C(=Cc1ccc(s1)c1ccc(cc1)F)/c1nnc2n1CCCCC2	PC-id_17569823,CoCoCo_4548818	364.439	WFHHBKAKUVHXTH-NTCAYCPXSA-N	00000000100100110101100000000010000000000000000000000000	31-01-089133
O=C1CCCCCN1CCC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1	PC-id_100067919,ZINC22_221425297	364.439	HNGYSGGIARVVNS-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089134
O=C1CCCCCN1CCC(=O)N1CCCn2nc([C@H](O)CO)cc2C1	ZINC22_221425240,PC-id_100067918	364.439	HNGYSGGIARVVNS-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089135
OC(C1n2cc(nc2)CC(NC(=O)CC/N=C/C1)C(=O)O)CCCCC	PC-id_85909800	364.439	XJRVPWNKXBOREP-UFWORHAWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-089136
O(C(C)(C)C)C(=O)NC(CC(=O)NC1CCc2[nH]ccc2NC1=O)(C)C	SCHEMBL8626455,PC-id_54207822	364.439	PTTWHPGGIWDXBW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089137
s1c(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1c1c(F)cccc1	PC-id_34352399	364.439	UZRDXOOQTYLHAZ-WYMLVPIESA-N	00000000100100110101100000000010000000000000000000000000	31-01-089138
s1c(C=C(c2n3CCCCCc3nn2)C#N)ccc1c1c(F)cccc1	PC-id_85485284	364.439	UZRDXOOQTYLHAZ-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-089139
c12CN(CCCn1nc(CO)c2)Cc1cccc(c1)OCc1ccccn1	MCULE-2283126452,ZINC22_220623685,EMOLS-id_50538383,PC-id_90650749	364.441	KKAFCJVJXCPVHX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089140
C1CC1CNC(=O)c1nc2c(o1)CCN(CC2)Cc1cc2c(cc1)[nH]cc2	PC-id_134809579	364.441	VRJCNNAREPUPAU-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-089141
C1(=C(CCC1=O)c1ccccc1)CC(=O)NCc1cc2n(CCCNC2)n1	EMOLS-id_44447419,MCULE-7817400271,PC-id_70773361,ZINC22_82146098	364.441	GMXSFTRSUYRIRN-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-089142
C1CN(Cc2cc(nn2C1)C(C1CC1)O)C(=O)Cn1ccc2ccccc12	PC-id_91784586	364.441	QSDUQRZRIBXSED-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-089143
c1(C(=O)NCCC(c2ccccc2)c2ccco2)nnc2CCCCCn12	MCULE-4411532549,EMOLS-id_232833884	364.441	UJRDBCJEBDBJHN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089144
c1(NC(=O)c2c3CCCCCc3on2)c(C)nn(Cc2ccccc2)c1C	MCULE-8500678973,ZINC22_20294479,PC-id_17254370,TIMTEC238233	364.441	JHTDZCVRTNSFCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089145
Cc1ccc(c(c1)n1ncc(c1C)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_100165477	364.441	GMYQSBPCPOCJEO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089146
Cc1ccc(C(=O)N2Cc3cccn3C[C@H](CCNc3ccccn3)C2)o1	ZINC22_585095497	364.441	UJHQNLMUEIRMKS-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089147
Cc1ccc(C(=O)N2Cc3cccn3C[C@@H](CCNc3ccccn3)C2)o1	ZINC22_585095498	364.441	UJHQNLMUEIRMKS-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089148
Cc1ccc(n1C)C(=O)N1CCCn2c(C1)cc(n2)OCc1ccccc1	PC-id_118065822,SCHEMBL16704536	364.441	LSYLRWRYVITYNI-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-089149
Cc1ccc(o1)CN1CCc2ncc(n2CC1)C(=O)NCc1ccccc1	PC-id_134808918	364.441	SDHMURQGNSNBPQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089150
Cc1ccc(o1)C(=O)N1CC(CCNc2ccccn2)Cn2cccc2C1	EMOLS-id_313838369	364.441	UJHQNLMUEIRMKS-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089151
Cc1ccoc1C(=O)N1Cc2cccn2C[C@H](CCNc2ccccn2)C1	ZINC22_585095543	364.441	VXLCIYOUVYTVFT-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089152
Cc1ccoc1C(=O)N1Cc2cccn2C[C@@H](CCNc2ccccn2)C1	ZINC22_585095544	364.441	VXLCIYOUVYTVFT-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089153
Cc1ccoc1C(=O)N1CC(CCNc2ccccn2)Cn2cccc2C1	EMOLS-id_313838881	364.441	VXLCIYOUVYTVFT-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089154
CCC(C(=O)N1CCCn2cncc2C1)n1cc(C(=O)C)c2ccccc12	EMOLS-id_43120737,PC-id_56897599,MCULE-4427557563	364.441	KDJGGGMPOQRFAD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-089155
CC[C@H](C(=O)N1CCCn2cncc2C1)n1cc(C(=O)C)c2ccccc12	PC-id_95722331,ZINC22_72157912	364.441	KDJGGGMPOQRFAD-LJQANCHMSA-N	00000000100000100101000001100010000000000000000000000000	31-01-089156
CC[C@@H](C(=O)N1CCCn2cncc2C1)n1cc(C(=O)C)c2ccccc12	ZINC22_72157910,PC-id_95722329	364.441	KDJGGGMPOQRFAD-IBGZPJMESA-N	00000000100000100101000001100010000000000000000000000000	31-01-089157
Cn1ccc2cc(ccc12)C(=O)N1CC(Cn2nccc2C1)OCC1CC1	EMOLS-id_313810980	364.441	DPGKQENOEZBZEP-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-089158
Cn1ccc2cc(C(=O)N3Cc4ccnn4C[C@@H](OCC4CC4)C3)ccc12	ZINC22_585099033	364.441	DPGKQENOEZBZEP-IBGZPJMESA-N	00100000100000100101000001100010000000000000000000000000	31-01-089159
Cn1ccc2cc(C(=O)N3Cc4ccnn4C[C@H](OCC4CC4)C3)ccc12	ZINC22_585099034	364.441	DPGKQENOEZBZEP-LJQANCHMSA-N	00100000100000100101000001100010000000000000000000000000	31-01-089160
Cn1cc(C(=O)N2Cc3ccnn3C[C@@H](OCC3CC3)C2)c2ccccc12	ZINC22_248125683	364.441	LOJBKZZRUPVHTO-KRWDZBQOSA-N	00100000100000100101000001100010000000000000000000000000	31-01-089161
Cn1cc(C(=O)N2Cc3ccnn3C[C@H](OCC3CC3)C2)c2ccccc12	ZINC22_248125684	364.441	LOJBKZZRUPVHTO-QGZVFWFLSA-N	00100000100000100101000001100010000000000000000000000000	31-01-089162
COc1ccccc1CN1Cc2ccnn2C[C@@H](OCc2ccccn2)C1	ZINC22_248145100	364.441	SCESFQGNYYHCBF-FQEVSTJZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089163
COc1ccccc1CN1Cc2ccnn2C[C@H](OCc2ccccn2)C1	ZINC22_248145102	364.441	SCESFQGNYYHCBF-HXUWFJFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089164
COc1ccccc1CN1CC(Cn2nccc2C1)OCc1ccccn1	EMOLS-id_50013028	364.441	SCESFQGNYYHCBF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089165
COc1cccc(CN2Cc3ccnn3C[C@@H](OCc3ccncc3)C2)c1	ZINC22_247945986	364.441	ZLHUXXHWVDKICZ-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089166
COc1cccc(CN2Cc3ccnn3C[C@H](OCc3ccncc3)C2)c1	ZINC22_247945989	364.441	ZLHUXXHWVDKICZ-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089167
COc1cccc(CN2CC(Cn3nccc3C2)OCc2ccncc2)c1	EMOLS-id_50016120	364.441	ZLHUXXHWVDKICZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089168
N#Cc1ccccc1N1CCCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111825661	364.441	ZHEWJGAPFXOSKJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089169
N#CC(c1nnc2n1CCCCC2)C(=O)c1cccc(c1)OC1CCCC1	EMOLS-id_98806202	364.441	CMWSCIGKZPHODK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-089170
O1C(Cc2c1cc(c(OCC)c2)C=C(c1n2CCCCCc2nn1)C#N)C	PC-id_4806065	364.441	ODVHRYYEXSYOEW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-089171
O1C(Cc2c1cc(c(OCC)c2)/C=C(c1n2CCCCCc2nn1)/C#N)C	PC-id_60459729	364.441	ODVHRYYEXSYOEW-YVLHZVERSA-N	00000010100000100101000000001010000000000000000000000000	31-01-089172
O1C(Cc2c1cc(c(OCC)c2)/C=C(/c1n2CCCCCc2nn1)C#N)C	PC-id_6213525	364.441	ODVHRYYEXSYOEW-LICLKQGHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-089173
o1c(CCC(=O)NCc2n3CCCCCc3nn2)ccc1c1ccccc1	PC-id_51266317	364.441	LPNJJGDJXMFKDN-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-089174
O1[C@@H](Cc2c1cc(c(OCC)c2)/C=C(/c1n2CCCCCc2nn1)C#N)C	PC-id_7481109	364.441	ODVHRYYEXSYOEW-NGWPFTMJSA-N	00000010100000100101000000001010000000000000000000000000	31-01-089175
O1[C@H](Cc2c1cc(c(OCC)c2)/C=C(/c1n2CCCCCc2nn1)C#N)C	PC-id_7481110	364.441	ODVHRYYEXSYOEW-FBJMNJBLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-089176
O=C(CC1CN(Cc2ccccn2)Cc2cccn2C1)NCc1ccco1	EMOLS-id_313808430	364.441	TWTXHQVHZPZRLD-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089177
O=C(CC1CN(Cc2cccnc2)Cc2cccn2C1)NCc1ccco1	EMOLS-id_313808174	364.441	ADSVMCQZBKQNCB-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089178
O=C(C[C@H]1CN(Cc2ccccn2)Cc2cccn2C1)NCc1ccco1	ZINC22_585099195	364.441	TWTXHQVHZPZRLD-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089179
O=C(C[C@@H]1CN(Cc2ccccn2)Cc2cccn2C1)NCc1ccco1	ZINC22_585099196	364.441	TWTXHQVHZPZRLD-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089180
O=C(C[C@@H]1CN(Cc2cccnc2)Cc2cccn2C1)NCc1ccco1	ZINC22_585098995	364.441	ADSVMCQZBKQNCB-GOSISDBHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089181
O=C(C[C@H]1CN(Cc2cccnc2)Cc2cccn2C1)NCc1ccco1	ZINC22_585098996	364.441	ADSVMCQZBKQNCB-SFHVURJKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089182
O=C(N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O)Cn1ccc2c1cccc2	PC-id_100108175	364.441	QSDUQRZRIBXSED-NRFANRHFSA-N	00100000100000100101000001100010000000000000000000000000	31-01-089183
O=C(N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O)Cn1ccc2c1cccc2	PC-id_100108187	364.441	QSDUQRZRIBXSED-OAQYLSRUSA-N	00100000100000100101000001100010000000000000000000000000	31-01-089184
O=C(NCc1ccccc1)c1ncn2c1CN(C(=O)C13CC(C1)C3)CCC2	EMOLS-id_313789242,ZINC22_1565554683	364.441	XHCLIEOVGQRUJK-UHFFFAOYSA-N	00001000100000110101001000000010000000000000000000000000	31-01-089185
O=C(NCC[C@@H](c1ccccc1)c1ccco1)c1nnc2n1CCCCC2	ZINC22_828219191	364.441	UJRDBCJEBDBJHN-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089186
O=C(NCC[C@H](c1ccccc1)c1ccco1)c1nnc2n1CCCCC2	ZINC22_828219192	364.441	UJRDBCJEBDBJHN-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089187
CN(C)CC(c1nn2CCCN(Cc2c1)Cc1nc(no1)CCOC)O	EMOLS-id_55615045,PC-id_91764387,MCULE-8223473976	364.443	BPZYVOSVXXFGID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089188
COCCc1noc(n1)CN1CCCn2c(C1)cc(n2)[C@H](CN(C)C)O	PC-id_100022723	364.443	BPZYVOSVXXFGID-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089189
COCCc1noc(n1)CN1CCCn2c(C1)cc(n2)[C@@H](CN(C)C)O	PC-id_100022727	364.443	BPZYVOSVXXFGID-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089190
O=C(N1CCN(CC1)CC(=O)NCC)Cn1nc2n(CCCCC2)c1=O	PC-id_55580932	364.443	LAVYIYXTBQCLIE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089191
O=S(=O)(Cc1cc(c2cccs2)on1)c1nnc2n1CCCCC2	ZINC22_125284718,EMOLS-id_189677857,MCULE-6344662476	364.443	ZAMYMWCKZZIKRM-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-089192
c12CN(CCCn1nc(CNc1nc(C)ccc1C#N)c2)C(=O)C1CCC1	ZINC22_82096960,EMOLS-id_44428163,MCULE-3253673665,PC-id_70718110	364.444	GDFVJMKXSGDITC-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-089193
c1(c(C)c(n[nH]1)CC)C(=O)N1CCn2c(CC1)nnc2Cc1ccccc1	ZINC22_97370545,EMOLS-id_49646664,MCULE-2905774662,PC-id_74233877	364.444	MEMUAOBCCCNLGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089194
c1(ccn(CC)n1)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	EMOLS-id_36446597,PC-id_56713230,ZINC22_67712949,MCULE-5131493846	364.444	RNHBRMSUWRIRBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089195
c1(cc(nn1c1ccccc1C)C)NC(=O)N1CCCn2nc(C)cc2C1	EMOLS-id_68912589,MCULE-1289281158,PC-id_118781162,ZINC22_299786947	364.444	OBOSLIOUGAJXHC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089196
c1(cc(nn1C)C)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	EMOLS-id_36459505,ZINC22_67909151,MCULE-2808142552,PC-id_56719519	364.444	WJLLIHMCUJZGGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089197
c1(cc(n[nH]1)CCC)C(=O)N1CCn2c(CC1)nnc2Cc1ccccc1	MCULE-3953749187,PC-id_70762589,ZINC22_91807041,EMOLS-id_44733508	364.444	UBHRBRPVWIZBKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089198
c1(cn2c(CCNCC2)n1)C(=O)N(C)C(C)c1cc([nH]n1)c1ccccc1	EMOLS-id_330479643,MCULE-7401386769	364.444	ZEQCSFVDZZPKNQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089199
c1(cnn(C(C)C)c1)C(=O)N1CCn2c(CC1)nnc2Cc1ccccc1	ZINC22_77457705,EMOLS-id_43587963,MCULE-3371648416,PC-id_70759161	364.444	SZIWZOYMYRXZTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089200
c1(C(=O)N2CCn3c(CC2)nc(CCc2ccccc2)n3)cc(n(C)n1)C	MCULE-6431288507,ZINC22_2100482903,EMOLS-id_337702334	364.444	FWSSNBCHMZJSSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089201
c1(C(=O)NC(c2ccccc2)Cn2cccn2)cc2n(CCCN(C)C2)n1	EMOLS-id_32408094,PC-id_50969222,MCULE-9242165254	364.444	VZYNOVRXRNTYLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089202
c1(C(=O)NCc2ccccc2Cn2cccn2)cc2n(CCCN(C)C2)n1	EMOLS-id_32434064,ZINC22_65527194,PC-id_50983034,MCULE-2056187307	364.444	NQORQGQAJBZFPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089203
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)n[nH]c(N)c1c1ccccc1	ZINC22_216198275,EMOLS-id_49893373,PC-id_77094071,MCULE-9557951803	364.444	FJOQUNVQRRRXLQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089204
c1(C(=O)N(C)Cc2ccccc2n2cccn2)cc2n(CCCN(C)C2)n1	PC-id_50950164,EMOLS-id_32371898,MCULE-7637037591,ZINC22_65372232	364.444	YCZJWIVILZCVMY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089205
c1(C(=O)NCCc2cnn(c3ccccc3)c2)cc2n(CCCN(C)C2)n1	MCULE-6296919708,EMOLS-id_32416472,ZINC22_65455956,PC-id_50973691	364.444	AYBVXKDUYIODIT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089206
c1(n(C)nc(c2ccccc2)c1C)NC(=O)N1CCCn2nc(C)cc2C1	PC-id_118766620,EMOLS-id_68882466,ZINC22_299766772,MCULE-8949727497	364.444	FJVNDQSVXKLLSH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089207
Cc1ccc(cc1)n1nc(cc1C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101967828	364.444	DNPZXAUNCLFCCU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089208
Cc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)n1ncc(c1)C	EMOLS-id_101954121	364.444	RWYFFAAZVRYZFT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089209
Cc1cc(C)c(c2cc(=NC(=O)[C@H]3CNCc4nccn4C3)[nH][nH]2)cc1C	ZINC22_2325796155	364.444	WPSZHQQSYZTYJE-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089210
Cc1cc(C)c(c2cc(=NC(=O)[C@@H]3CNCc4nccn4C3)[nH][nH]2)cc1C	ZINC22_2325796156	364.444	WPSZHQQSYZTYJE-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089211
Cc1ccc(n2cc(NC(=O)N3CCCc4c(cnn4C)C3)cn2)c(C)c1	ZINC22_333948665,MCULE-6341449507,EMOLS-id_101853772	364.444	WNIWPJVEXULWSO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089212
Cc1cc(C)n(c2ccc(C(=O)NCc3nnc4n3CCCCC4)cc2)n1	MCULE-6048848294,ZINC22_56825683,EMOLS-id_43555817,PC-id_51185247	364.444	KXYHXCNZGVWKLY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089213
Cc1cc(C(=O)NCc2nnc3n2CCCCC3)c(C)n1c1cccnc1	PC-id_47029958,ZINC22_58161449,EMOLS-id_31926762,MCULE-7230123849	364.444	GQDTWHBMSCBABJ-UHFFFAOYSA-N	00000000110000101101100000000010000000000000000000000000	31-01-089214
CCc1nc[nH]c1C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_278779035	364.444	NNAKTQJDIFSBTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089215
CC(c1nnc2n1CCN(CC2)Cc1ccc(cc1)Oc1ncccn1)C	CoCoCo_1582511,PC-id_42418796,CoCoCo_1582512	364.444	NBLCJSHXDRWUMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089216
CCCc1ccc(cc1)C(=O)N1CCCn2c(C1)c(nn2)Cn1cccn1	PC-id_97519627	364.444	TTYLAWIPRCQQOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089217
CCCc1ccc(cc1)C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1	ZINC22_96259529,PC-id_97519611,EMOLS-id_44370606	364.444	MTKSWAZIVVGIKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089218
CCC(C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1)n1cccn1	MCULE-8777341257,EMOLS-id_337745394	364.444	RIPYBOILOWOMGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089219
CC[C@@H](C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1)n1cccn1	ZINC22_2356135153	364.444	RIPYBOILOWOMGA-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089220
CC[C@H](C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1)n1cccn1	ZINC22_2356135154	364.444	RIPYBOILOWOMGA-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089221
C[C@@H](c1cc(c2ccccc2)n[nH]1)N(C)C(=O)c1cn2c(n1)CCNCC2	ZINC22_1857723302	364.444	ZEQCSFVDZZPKNQ-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089222
C[C@H](c1cc(c2ccccc2)n[nH]1)N(C)C(=O)c1cn2c(n1)CCNCC2	ZINC22_1857723303	364.444	ZEQCSFVDZZPKNQ-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089223
CN1CCCn2nc(C(=O)N[C@@H](Cn3cccn3)c3ccccc3)cc2C1	ZINC22_65424724,PC-id_95131474	364.444	VZYNOVRXRNTYLD-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-089224
CN1CCCn2nc(C(=O)N[C@H](Cn3cccn3)c3ccccc3)cc2C1	ZINC22_65424726,PC-id_95131475	364.444	VZYNOVRXRNTYLD-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089225
Cn1ncc(c1)CNc1ccc(cc1)C(=O)N1CCCc2c(C1)cnn2C	MCULE-1339461536,EMOLS-id_316573803	364.444	NIZWEPYGAQYYPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089226
CN(Cc1nnc2n1CCCCC2)C(=O)[C@H](c1ccccc1)n1cccn1	ZINC22_522798471	364.444	MYOJFPDSJXHECQ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-089227
CN(Cc1nnc2n1CCCCC2)C(=O)[C@@H](c1ccccc1)n1cccn1	ZINC22_522798472	364.444	MYOJFPDSJXHECQ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089228
CN(C(=O)C(n1cccn1)c1ccccc1)Cc1nnc2n1CCCCC2	EMOLS-id_320279778,MCULE-8516121090,PC-id_138992920	364.444	MYOJFPDSJXHECQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089229
COc1ncccc1CN1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_306135134	364.444	OITNWGQGQJWSIQ-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089230
COc1ncccc1CN1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_306135135	364.444	OITNWGQGQJWSIQ-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089231
COc1ncccc1CN1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_50374865	364.444	OITNWGQGQJWSIQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089232
N#Cc1cccc(C(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)c1	PC-id_97519651,ZINC22_96259569	364.444	BTPZAXBSZIFAHF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-089233
O=C(C1CCn2c(CC1)nnc2)NCc1c(C)nn(c1C)c1ccccc1	EMOLS-id_319204987	364.444	DAUHHAUZIUKOJS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089234
O=C(c1cnn2ccccc12)N1Cc2nccn2C[C@H](CN2CCCC2)C1	ZINC22_1565553312	364.444	SYGIBAOHQQDFNB-INIZCTEOSA-N	00000010100000100101000001000010000000000000000000000000	31-01-089235
O=C(c1cnn2ccccc12)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_1614936004	364.444	SYGIBAOHQQDFNB-MRXNPFEDSA-N	00000010100000100101000001000010000000000000000000000000	31-01-089236
O=C(c1cnn(c1)Cc1ccccc1)NCCc1nnc2n1CCCCC2	CoCoCo_4473000,PC-id_40106468,EMOLS-id_257873256,MCULE-8710586755	364.444	IPGDNLXBGNNEJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089237
O=C(CCc1cnn(c2ccccc2)c1)NCc1nnc2n1CCCCC2	MCULE-4813605302,ZINC22_40012937,EMOLS-id_30238417,PC-id_45859679	364.444	NBWJJFZWNDLRTC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089238
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(ccc1C)c1ccnn1C	EMOLS-id_101870340	364.444	ZKVHCVZJQQNGQE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089239
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1n1nc(cc1C)C	EMOLS-id_101943081	364.444	OFJRNEMFNAPKPU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089240
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)n1nc(cc1C)C	EMOLS-id_101953611	364.444	SRHTVYAOVYQZBM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089241
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(nn1C)c1ccccc1C	EMOLS-id_101871339	364.444	CJFQUHRRXNRGGR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089242
O=C(N1CCCc2c(C1)cnn2C)Nc1c(C)nn(c1C)c1ccccc1	EMOLS-id_101847091	364.444	VBDIFYABCYQLBL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089243
O=C(N1CC(CN2CCCC2)Cn2ccnc2C1)c1cnn2ccccc12	EMOLS-id_313722845	364.444	SYGIBAOHQQDFNB-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-089244
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(cc1)C#N	PC-id_46692011	364.444	OXUVZIQNBVDOLV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-089245
O=C(NCCc1n2CCCCCc2nn1)c1ccc(n2nccc2C)cc1	PC-id_51304518	364.444	ORJKIDMTCLJQHF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089246
CCN(C(=O)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2)CC	EMOLS-id_102183300	364.446	FKFZEFNIBPDZDQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089247
CCNc1ncc(CN2CCc3nnc(Cc4cccnc4)n3CC2)cn1	MCULE-6326815716,EMOLS-id_43162448,ZINC22_72165397,PC-id_56910964	364.447	ISKPZVQDRUKTRS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089248
c1(c2CCCCCCc2sc1NC(=O)CCC(=O)O)C(=O)NC1CC1	CoCoCo_1054878,ZINC22_6742596,PC-id_6471064,EMOLS-id_2549565,MCULE-7751191340	364.459	WTJOMFHHXFRPTK-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-089249
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCCCC2)c1C(=O)N	MCULE-9113855711,PC-id_2862567,SPECS-id_AK-968/11987433,EMOLS-id_2368578	364.459	JTUBJJWMUUKQGL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089250
COCCC1CN(Cc2cccn2C1)S(=O)(=O)c1cccc(OC)c1	EMOLS-id_313839400	364.459	SWIUQSQTCKJFQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089251
COCC[C@@H]1CN(S(=O)(=O)c2cccc(OC)c2)Cc2cccn2C1	ZINC22_585095482	364.459	SWIUQSQTCKJFQG-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089252
COCC[C@H]1CN(S(=O)(=O)c2cccc(OC)c2)Cc2cccn2C1	ZINC22_585095485	364.459	SWIUQSQTCKJFQG-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089253
COC(=O)CC1C(=O)NCCN1C(=O)c1sc2c(c1)CCCCCC2	MCULE-4039880212,PC-id_47005055,EMOLS-id_30667163	364.459	BERZUGSYALPSBY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089254
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc2c(s1)CCCCCC2	PC-id_32332111,ZINC22_25024179	364.459	BERZUGSYALPSBY-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089255
COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc2c(s1)CCCCCC2	ZINC22_25024176,PC-id_32332107	364.459	BERZUGSYALPSBY-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089256
NC(=O)C1CCN(C(=O)COC(=O)c2cc3c(s2)CCCCC3)CC1	MCULE-9495871704,ZINC22_5362439,EMOLS-id_33804688,PC-id_7650120	364.459	GJUAMNZTEBIDMP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089257
NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_683484,ZINC22_4150412,PC-id_1220344	364.459	JTUBJJWMUUKQGL-GHMZBOCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089258
NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_4150409,CoCoCo_683481,PC-id_1220346	364.459	JTUBJJWMUUKQGL-MNOVXSKESA-N	00000000100010000100000000000010000000000000000000000000	31-01-089259
NC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_4150411,PC-id_1220345,CoCoCo_683483	364.459	JTUBJJWMUUKQGL-QWRGUYRKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089260
NC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_4150413,PC-id_1220343,CoCoCo_683482	364.459	JTUBJJWMUUKQGL-WDEREUQCSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089261
O=C(C1CC=CCC1C(O)O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_143018908	364.459	GRWYHWKUOJSAPQ-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-089262
O=C(COC(=O)c1cc2c(s1)CCCCC2)N[C@H]1CCCCNC1=O	PC-id_94093849,ZINC22_46210501	364.459	FQKPHHOVKPDTJM-ZDUSSCGKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089263
O=C(COC(=O)c1cc2c(s1)CCCCC2)N[C@@H]1CCCCNC1=O	ZINC22_46210497,PC-id_94093848	364.459	FQKPHHOVKPDTJM-CYBMUJFWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089264
O=C(COC(=O)c1cc2c(s1)CCCCC2)NC(=O)NC1CCCC1	ZINC22_3552000,EMOLS-id_3578498,MCULE-6453202852,PC-id_2668993,CoCoCo_2861356	364.459	IYUGSNOBLNDGTP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-089265
O=C(NC1CCCCNC1=O)COC(=O)c1cc2c(s1)CCCCC2	MCULE-5128669370,EMOLS-id_44530358,PC-id_71895690	364.459	FQKPHHOVKPDTJM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089266
s1c2CCCCCc2cc1C(=O)OCC(=O)N1C(CCCC1)C(=O)N	PC-id_85001858	364.459	SCLYBVFOQISYND-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089267
s1c2CCCCCc2cc1C(=O)OCC(=O)N1CC(CCC1)C(=O)N	PC-id_85001860	364.459	YUISOGVGAWTEIP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089268
s1c2CCCCCc2cc1C(=O)OCC(=O)N1C[C@H](CCC1)C(=O)N	PC-id_9402889	364.459	YUISOGVGAWTEIP-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089269
s1c2CCCCCc2cc1C(=O)OCC(=O)N1C[C@@H](CCC1)C(=O)N	PC-id_9402896	364.459	YUISOGVGAWTEIP-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089270
s1c2CCCCCc2cc1C(=O)OCC(=O)N1[C@@H](CCCC1)C(=O)N	PC-id_9402875	364.459	SCLYBVFOQISYND-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089271
s1c2CCCCCc2cc1C(=O)OCC(=O)N1[C@H](CCCC1)C(=O)N	PC-id_9402881	364.459	SCLYBVFOQISYND-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089272
s1c2CCCCCc2cc1C(=O)OCC(=O)N(CC(=O)NC1CC1)C	PC-id_8216188	364.459	GZRWYRFQVDASJD-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-089273
s1c2c(CCCCC2)c(c1NC(=O)C1CN(C(=O)C1)CC)C(=O)OC	PC-id_75889200	364.459	ZSOHMJNHOPOJTD-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-089274
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1CN(C(=O)C1)CC)C(=O)OC	PC-id_52638585	364.459	ZSOHMJNHOPOJTD-LLVKDONJSA-N	00000010100000000100000000000010000000000000000000000000	31-01-089275
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1CN(C(=O)C1)CC)C(=O)OC	PC-id_52638586	364.459	ZSOHMJNHOPOJTD-NSHDSACASA-N	00000010100000000100000000000010000000000000000000000000	31-01-089276
s1c2CCCCCCc2cc1C(=O)OCC1N(C(=O)N(C(=O)C1)C)C	PC-id_76243018	364.459	MGNVOWFABGAYQJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089277
c1(sc2c(CCCCC2)n1)NC(=O)c1cccc(Oc2ccccc2)c1	EMOLS-id_334603898,MCULE-2269683891	364.461	KDWUJUFDTCUBQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089278
O=C1N(CCCc2c1sc(n2)COc1ccccc1)Cc1ccccc1	SCHEMBL159565,PC-id_66609337	364.461	NDBKUQLOSMGEJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089279
c
(=N/C(=O)CCCC(=O)N2CCNC(=O)C2)/sc2c(CCCCC2)[nH]1	PC-id_49654407,ZINC22_40268210,EMOLS-id_30503965,EMOLS-id_46528215,STOCK6S-97364,MCULE-2300890983	364.462	LOSHQLHSDSDGSN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089280
Cc1cc(c(cc1C)C)S(=O)(=O)N(C1CCn2c(CC1)n[nH]c2=O)C	EMOLS-id_97041582,MCULE-2604815649	364.462	YBVHLDXAZGXQCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089281
Cc1ccc(CN2Cc3ccnn3C[C@@H](CNS(=O)(=O)C3CC3)C2)o1	ZINC22_306144753	364.462	ZNQPUOXLKCFIOJ-AWEZNQCLSA-N	00100000101000000101000000000010000000000000000000000000	31-01-089282
Cc1ccc(CN2Cc3ccnn3C[C@H](CNS(=O)(=O)C3CC3)C2)o1	ZINC22_306144754	364.462	ZNQPUOXLKCFIOJ-CQSZACIVSA-N	00100000101000000101000000000010000000000000000000000000	31-01-089283
Cc1ccc(CN2CC(CNS(=O)(=O)C3CC3)Cn3nccc3C2)o1	EMOLS-id_55733020	364.462	ZNQPUOXLKCFIOJ-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-089284
CC1(C)NC(=O)N(CCCC(=O)Nc2nc3c(s2)CCCCC3)C1=O	EMOLS-id_30242442,PC-id_45864711,MCULE-8492819792,ZINC22_40034665	364.462	QPDCLDYJFZCQIU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089285
CCCc1ccc(cc1)S(=O)(=O)N(C1CCn2c(CC1)n[nH]c2=O)C	EMOLS-id_96055608,MCULE-2516279969	364.462	WDQAIGWNCRSRMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089286
CC(C)c1ccc(cc1)S(=O)(=O)N(C)C1CCc2n[nH]c(=O)n2CC1	EMOLS-id_97041573,MCULE-7415484951	364.462	ZDNCBBAWVWLTCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089287
CC(C)Cn1nc2CCN(CCn2c1=O)S(=O)(=O)Cc1ccccc1	EMOLS-id_55716828,MCULE-9172287310	364.462	INIGSYXITJQUFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089288
CC(CCOc1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_319986846,MCULE-7531551442	364.462	RECPEGIHBJOMJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089289
CCSC(c1noc(n1)CN(C(=O)c1noc2c1CCCCC2)C)C	EMOLS-id_100167599	364.462	CXWJBCHCXQRIKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089290
CCS(=O)(=O)N(C)C1CCc2nn(Cc3ccccc3)c(=O)n2CC1	EMOLS-id_97042210,MCULE-2038136884	364.462	WLQUNLYNLLPBCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089291
COc1cc(C)c(c(c1)C)S(=O)(=O)NCc1nnc2n1CCCCC2	GD-id_ZINC47462260	364.462	LSWFSGCBUIPCQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089292
COCCn1nc2n(c1=O)CCC(CC2)CC(=O)NCc1ccsc1	MCULE-9367964429,EMOLS-id_207877379	364.462	ULYINQDCZNCKAA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-089293
O=C(C1CCCN1C(=O)C(=O)Nc1nc2c(s1)CCCCC2)N(C)C	EMOLS-id_111810973	364.462	LACNTVJIZMOYKZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089294
N#CC(C(=O)c1sc2c(c1)CCCCCC2)c1[nH]c2c(n1)c(C)ccn2	EMOLS-id_100717383	364.464	VVYJLWPVKITUIF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089295
O=C(c1nc2c(s1)CCN(CC2)Cc1ccccc1)Nc1cccnc1	PC-id_97442454	364.464	BTXCFXBLYCSWRW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089296
s1c2CCCCCc2cc1C(=O)NN=Cc1cn(nc1)c1ccccc1	PC-id_84890292	364.464	KSQUJRGYPPRAOX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089297
s1c2CCCCCCc2nc1NC(=O)c1cnc(nc1)c1ccccc1	PC-id_56147756	364.464	SZHWTDVZGDDATM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089298
S=C1N(N=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)C(=O)C(=C)N=N1	PC-id_84991101	364.464	MXCIUZHFDOTBES-UHFFFAOYSA-N	00000010100011000111000000000010000000000000000000000000	31-01-089299
Cc1cc2CN(Cc3cc4CN(CCn4n3)S(=O)(=O)C)CCCn2n1	MCULE-7262056869,ZINC22_72420449,PC-id_56891906,EMOLS-id_232807989	364.466	DFJBINWIEHLPPQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-089300
Cc1nc(C)c(C)c(NCc2cc3CN(CCCn3n2)S(=O)(=O)C)n1	ZINC22_82146359,EMOLS-id_44447545,MCULE-5634270265,PC-id_70773715	364.466	ZNNVISQRZBZWSL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089301
CCc1cc(NCc2cc3CN(CCCn3n2)S(=O)(=O)C)nc(C)n1	PC-id_70744826,ZINC22_82115995,MCULE-7306226416,EMOLS-id_44437645	364.466	XLKGGOCXXADYBL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089302
CCc1cnc(C)nc1NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_44428475,MCULE-5429867256,PC-id_70719024,ZINC22_82097180	364.466	CZRCIGVRCQFQEG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089303
CCCc1cncnc1NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_44428507,ZINC22_82097317,MCULE-5929978023,PC-id_70719094	364.466	VIKIGQDRZFYKMI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089304
CC(C)c1cncnc1NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_44444503,ZINC22_82136968,MCULE-1709268196,PC-id_70764870	364.466	MZNUJOMQYIUEOO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089305
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)c1cnc2n1CCC2	EMOLS-id_100180541	364.466	HBNFIADABXUABH-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-089306
Cn1cnc(c1)S(=O)(=O)N1CCCn2c(C1)c(nc2)CN1CCCC1	PC-id_97519421	364.466	WEUFJYQIXHAIRL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089307
s1c(n2c(c(C=C(c3n4CCCCCc4nn3)C#N)cc2C)C)ncc1	PC-id_84908281	364.467	RLHFBEIEFVKAJO-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-089308
s1c(n2c(c(/C=C(/c3n4CCCCCc4nn3)C#N)cc2C)C)ncc1	PC-id_9030823	364.467	RLHFBEIEFVKAJO-LFIBNONCSA-N	00000000110000000101100000000010000000000000000000000000	31-01-089309
c1(SCCNC(=O)N(C)Cc2c3CCCCCc3[nH]n2)nnnn1C	EMOLS-id_177367686,PC-id_121495535,MCULE-8512231144,ZINC22_426380395	364.469	LUZMWTBERBLLPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089310
c12CN(CCCn1nc(CN1CCC(CC1)(F)F)c2)CC1CCC=CC1	MCULE-9678276279,EMOLS-id_43161498,PC-id_56910637	364.476	VXLBJLHFDVRALC-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-089311
FC1(F)CCN(Cc2cc3n(n2)CCCN(C[C@H]2CC=CCC2)C3)CC1	PC-id_95725504,ZINC22_72164473	364.476	VXLBJLHFDVRALC-KRWDZBQOSA-N	00000000100011000101000000000010000000000000000000000000	31-01-089312
FC1(F)CCN(Cc2cc3n(n2)CCCN(C[C@@H]2CC=CCC2)C3)CC1	ZINC22_72164474,PC-id_95725505	364.476	VXLBJLHFDVRALC-QGZVFWFLSA-N	00000000100011000101000000000010000000000000000000000000	31-01-089313
CCCCCC(S(=O)(=O)O)CCOC1COc2c(OC1)csc2	PC-id_140307223	364.477	WDSIUEVWRNHPTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089314
CC(CCC(S(=O)(=O)O)CCOC1COc2c(OC1)csc2)C	PC-id_140307221	364.477	DBCOVAJGCKCNIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089315
c12CN(CCCCO)CCCn1nc(CCC(=O)N1CCC(CC1)O)c2	MCULE-9630244342,ZINC22_82099368,PC-id_70725727,EMOLS-id_44430841	364.482	YLFCXJAVVVEISJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089316
c12CN(CCCn1nc(CNC(=O)COC)c2)CC1CCOC(C)(C)C1	PC-id_70769365,MCULE-6885540957,EMOLS-id_44446103	364.482	UUWPDBYEDVQJJU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089317
c12CN(CCOCC)CCCn1nc(CCC(=O)N1CCC(CC1)O)c2	ZINC22_82166480,MCULE-4828772259,EMOLS-id_44451961,PC-id_70786171	364.482	AFWNFCOVAOODRT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089318
Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3538106,MCULE-7331240898,EMOLS-id_16681818,PC-id_17501217	364.482	JBQWBODLJJICEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089319
CC(C)(C)OC(=O)N1CCCc2nn(c(c2C1)OCC1CCCNC1)C	PC-id_136590250	364.482	GVNAFBVKNPTHCR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089320
CCOC(=O)c1sc(nc1C)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_317362712,MCULE-7656103466,PC-id_4789260,CoCoCo_3340624	364.482	NFTVOCPNAFFHAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089321
COCC(=O)NCc1cc2n(n1)CCCN(C[C@@H]1CCOC(C)(C)C1)C2	PC-id_96579451,ZINC22_82138550	364.482	UUWPDBYEDVQJJU-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089322
COCC(=O)NCc1cc2n(n1)CCCN(C[C@H]1CCOC(C)(C)C1)C2	PC-id_96579452,ZINC22_82138551	364.482	UUWPDBYEDVQJJU-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089323
COC(=O)c1c(NC(=O)Cc2csc(n2)C)sc2c1CCCCC2	PC-id_86998486	364.482	CHZZARSJNWEQJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089324
COC(=O)Cc1csc(NC(=O)c2cc3c(s2)CCCCCC3)n1	MCULE-3738174117,ZINC22_31764936,EMOLS-id_45632324,PC-id_38987231	364.482	RBVJDLCDHHOTRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089325
CS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cn1	MCULE-6177121479,EMOLS-id_44116609,PC-id_45896239,ZINC22_36393986,CoCoCo_4909358	364.482	ADWHJMIZVMBROB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089326
Nc1c(c2-c(c1C)ccc(cc2)C#Cc1ccc2-c(c(c(N)c2C)C)cc1)C	PC-id_59078027	364.482	RQIDMMJVTWEQSD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-089327
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O=C(N1CCCCc2c1ccs2)c1cc(cc(c1C)C)S(=O)(=O)N	EMOLS-id_318216332	364.482	PRXXOQAZOAQRRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089331
s1c2CCCCCc2cc1C(=O)Nc1ccc(NS(=O)(=O)C)cc1	PC-id_41839723	364.482	XEROHVVLENAZIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089332
s1c2CCCCCc2cc1C(=O)Nc1cc(CS(=O)(=O)N)ccc1	PC-id_56183166	364.482	DWMDXRHILYKTHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089333
s1c2CCCCCc2cc1C(=O)Nc1ccc(S(=O)(=O)NC)cc1	PC-id_9188316	364.482	AKFSFCYTZNUFOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089334
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N)c(cc1)C	PC-id_9256996	364.482	VAFUQLIFTIHJID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089335
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1)C	PC-id_51170310	364.482	CVNQVZMXALNIPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089336
s1c2c(CCCCC2)c(c1NC(=S)NCc1occc1)C(=O)OC	PC-id_19653599	364.482	SRHUJSJKNPAWKS-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-089337
s1c2CCCCCCc2cc1C(=O)Nc1ccc(S(=O)(=O)N)cc1	PC-id_9034900	364.482	GZMLQBMSQOZUGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089338
s1c2CCCCCCc2cc1C(=O)Nc1sc(c(n1)C)C(=O)OC	PC-id_60594718	364.482	HKTVDEKFNFVRJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089339
s1c2CCCCCCc2cc1C(=O)Nc1scc(n1)C(=O)OCC	PC-id_60382216	364.482	DYQFTUOWGBMFNF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089340
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccccc1	PC-id_26952081	364.482	NJNJHDHOROFRHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089341
s1c2CCCCCCc2cc1C(=O)OCc1nc(sc1)NC(=O)C	PC-id_31621979	364.482	KNKHIUXCQXOFHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089342
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1scc(n1)C	PC-id_41226810	364.482	UNLINKRRZMPUPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089343
C1(=C(C1C(=O)NCc1cc2n(CCCN(CCC)C2)n1)C)c1ccccc1	PC-id_70728299,EMOLS-id_44431721,MCULE-6436026041	364.484	GOBBCXHQWTXOTI-UHFFFAOYSA-N	00110000100000110101100000000010000000000000000000000000	31-01-089344
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c1(C(=O)NCCc2c3ccccc3n(C(C)C)c2)c2CCCCCc2[nH]n1	MCULE-1309229601	364.484	HXGHUIPSDXOZIL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-089346
Cc1cc2CN(C[C@H]3[C@@H]4CN(C[C@H]34)C(=O)c3ccccc3C)CCCn2n1	EMOLS-id_43129501,ZINC22_102533997,MCULE-7048437006	364.484	SHKJUTNOZJFIME-MZADTFQBSA-N	00100010100000110101010000000010000000000000000000000000	31-01-089347
Cc1ccc(cc1)c1ccc(o1)CNCCCc1nnc2n1CCCCC2	MCULE-1782666291,PC-id_119110707,EMOLS-id_51656238	364.484	UUBHCFOVUXNNMB-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-089348
CCCCCCOc1ccc(cc1)C=C(c1nnc2n1CCCCC2)C#N	PC-id_4323031,EMOLS-id_26092843,MCULE-2041737141	364.484	DOFWDSWWGMCMPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089349
CCCCCCOc1ccc(cc1)/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_6069199,CoCoCo_3456326	364.484	DOFWDSWWGMCMPC-KNTRCKAVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089350
CCCCCCOc1ccc(cc1)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_75460343,CoCoCo_3456325	364.484	DOFWDSWWGMCMPC-MNDPQUGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089351
CCCCS(=O)(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70762754,MCULE-8470309747,ZINC22_82134868,EMOLS-id_44443781	364.484	INLWKHYCQMBTGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089352
CCCN1CCCn2nc(CNC(=O)[C@H]3C(=C3c3ccccc3)C)cc2C1	PC-id_96574223,ZINC22_82106218	364.484	GOBBCXHQWTXOTI-NRFANRHFSA-N	00110000100000110101100000000010000000000000000000000000	31-01-089353
CCCN1CCCn2nc(CNC(=O)[C@@H]3C(=C3c3ccccc3)C)cc2C1	ZINC22_82106216,PC-id_96574222	364.484	GOBBCXHQWTXOTI-OAQYLSRUSA-N	00110000100000110101100000000010000000000000000000000000	31-01-089354
Cn1cc2c(c1)C(=O)N(CC=C2)CCCN1CCN(CC1)c1ccccc1	PC-id_22738075,SCHEMBL6779371	364.484	KCUQRJUBWANFPQ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-089355
Cn1ccc2c1C(=O)N(CCCN1CCN(CC1)c1ccccc1)CC=C2	SCHEMBL6988350,PC-id_20083201	364.484	FLJYWBCNSDZLDJ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-089356
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O=C(c1n[nH]c2c1CCCCC2)N1CCN(CC1)C/C=C/c1ccccc1	EMOLS-id_50403992,EMOLS-id_49245671,ZINC22_96223368,STOCK7S-45566,PC-id_75357168	364.484	PXJDUGWXAOULJJ-JXMROGBWSA-N	00000000100010110101000000000010000000000000000000000000	31-01-089358
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O=C(N1C[C@@H]2[C@@H](C2CN2CCCn3nc(cc3C2)C)C1)c1c(cccc1)C	PC-id_56899809	364.484	SHKJUTNOZJFIME-SEJPIABJSA-N	00100010100000110101010000000010000000000000000000000000	31-01-089360
c12CN(CCCn1nc(CNC(=O)[C@H](CCCC)NC)c2)C(=O)N(C)C	MCULE-7079860008,ZINC22_82133744,EMOLS-id_44442855,PC-id_70760008	364.486	CXERZMSATHLOJJ-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089361
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)CC)CCn12	MCULE-6375057550,ChEMBL-DNDi_CHEMBL14993951,PC-id_45176007,EMOLS-id_20424149	364.486	KBZVALSVALITKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089362
c1(NC(=S)Nc2ccn(C)n2)sc2c(CCCCC2)c1C(=O)OC	MCULE-4268006202,ZINC22_2852881,ChEMBL-DNDi_CHEMBL7792948,PC-id_2206524,TIMTEC149905,CoCoCo_992134,Chemmine_18229,EMOLS-id_2003205	364.486	FMWZFWHWZQGVPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089363
c1(NC(=S)NC(=O)N2CCOCC2)sc2c(CCCCC2)c1C#N	ZINC22_12343589,MCULE-6960569653,EMOLS-id_233022843,PC-id_23882386	364.486	WLMMWWKCGMPFAS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089364
Cc1nc(C(=O)N2CC[C@@H](C(=O)N(C)C)c3nc(C)sc3C2)cs1	ZINC22_2055730035	364.486	UCOXGLHIJVKNOC-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089365
Cc1nc(C(=O)N2CC[C@H](C(=O)N(C)C)c3nc(C)sc3C2)cs1	ZINC22_2055730036	364.486	UCOXGLHIJVKNOC-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-089366
CCC(c1nnc2n1CCCCC2)NC(=O)NCCN1CCOCCC1	EMOLS-id_101164971	364.486	POGDEPSUORCQEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089367
CC(CN1CCOC(C1)CNC(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_98073067	364.486	RFQNXJKGUPBSNT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089368
CCC(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n2CC1	ZINC22_12185789,CoCoCo_1164334	364.486	KBZVALSVALITKS-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089369
CCC(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)CN(C)C)n2CC1	ZINC22_12185792,CoCoCo_1164335	364.486	KBZVALSVALITKS-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089370
CCNC(=NCc1nnc2n1CCCCC2)NCCCOC1CCOC1	PC-id_109675341	364.486	VGFUTQKXPWLYCX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089371
CC(=O)NCc1ccc(C(=O)CSc2nnc3n2CCCCC3)s1	MCULE-6848774439,EMOLS-id_3708130,PC-id_8521426,ZINC22_7426240,CoCoCo_3892257	364.486	VVEOMRYMRTZXMU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-089372
CC(=O)NCc1ccc(s1)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3892260,CoCoCo_3892259	364.486	GBFQYVFZVMNQNW-JLHYYAGUSA-N	00000000100100000101000000000010000000000000000000000000	31-01-089373
CC(=O)NCc1ccc(s1)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3892261,CoCoCo_3892258	364.486	GBFQYVFZVMNQNW-RAXLEYEMSA-N	00000000100100000101000000000010000000000000000000000000	31-01-089374
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CN=C(NCc1nnc2n1CCCCC2)NCCCOCC1CCCO1	PC-id_111407605	364.486	ZLOODXSMESEWQF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089376
CN=C(NCc1nnc2n1CCCCC2)NCCCOCC1CCOC1	PC-id_111645656	364.486	NKIMFACBEIKPKY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089377
CN=C(NCCc1nnc2n1CCCCC2)NCCCOC1COCC1	PC-id_109675375	364.486	HUDIREDNRZQHML-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089378
COCCOCC1CCN(C1)C(=NC)NCc1nnc2n1CCCCC2	PC-id_111745525	364.486	JVLPYNZXRRUTPX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089379
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Cc1cc(CN2CC(CCNc3ccccn3)Cn3cccc3C2)n(C)n1	EMOLS-id_313837345	364.487	WXQZKBNTRJAADY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089398
Cc1cc(C)n(c2cccc(CN(C)Cc3cc4n(n3)CCCNC4)c2)n1	ZINC22_72143509,PC-id_56900904,EMOLS-id_43132713,MCULE-6322140631	364.487	BOVCPYMMOZPSBH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089399
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Cc1nn(Cc2ccccc2)c(C)c1CNCc1nnc2n1CCCCC2	CoCoCo_3989443,ZINC22_39979608,MCULE-8999424851,PC-id_45846442	364.487	LPMDOQHTHBZCMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089401
CCCCc1ncc(CN2CCc3nc(Cc4ccccc4)nn3CC2)[nH]1	ZINC22_2356158107,MCULE-7989297283,EMOLS-id_337820242	364.487	WZOVVIALVJGCST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089402
C[C@H](NCCc1nnc2n1CCCCC2)c1cnn(Cc2ccccc2)c1	ZINC22_126689500	364.487	PQHZKKGRQSFROH-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089403
C[C@@H](NCCc1nnc2n1CCCCC2)c1cnn(Cc2ccccc2)c1	ZINC22_126689724	364.487	PQHZKKGRQSFROH-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089404
CCn1nc(c(c1C)CN1CCn2c(CC1)nnc2Cc1ccccc1)C	PC-id_29000971,ChEMBL-DNDi_CHEMBL80124077	364.487	ZYIWYVXAICYEKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089405
CCn1nc(c(c1)CN1CCc2n(CC1)c(nn2)CCc1ccccc1)C	PC-id_28957998,CoCoCo_1250754,CoCoCo_1250753	364.487	QQYXROVHLQTXBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089406
CN=C(N1CCC(=CC1)c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111263505	364.487	ZJZKNQXZZYBQKH-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-089407
N1(CCCn2nc(cc2C1)CN(C)C)Cc1cn(nc1)c1cc(ccc1)C	PC-id_56886762	364.487	PPKHDKSLPUSONE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089408
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Cc1ccc(cc1)CC1(COc2c(OC1)csc2)Cc1ccc(cc1)C	SCHEMBL14949646,PC-id_89568325	364.5	FBVSFOKNAAUGQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089410
c1(NC(=O)CN2CCCCC2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-1151669062,ZINC22_837701,TIMTEC485161,EMOLS-id_1103830,CoCoCo_138166,BAS-00832275,PC-id_1107233	364.502	UQSHWRIEPIPSNH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089411
CCN(C1CC(C1)NC(=O)c1sc2c(c1)CCCCCC2)CC(=O)O	PC-id_120437669	364.502	OTXACIFSLMVDBX-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-089412
CCN(C1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2)CC(=O)O	PC-id_120439780	364.502	JOXBLARVJKEVJW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089413
CCOC(=O)C1(NC(=O)c2cc3c(s2)CCCCC3)CCN(C)CC1	ZINC22_95451228,PC-id_75395529,EMOLS-id_48302992,MCULE-2419797101	364.502	YGOLHKVRIAOLNS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089414
COC(=O)c1c2c(CCCCC2)sc1NC(=O)CN1CCC(C)CC1	ZINC22_952469,PC-id_1189915,CoCoCo_1817947,CoCoCo_1817946,MCULE-1022629871	364.502	OYXLLOACWSNVSF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089415
OC(=O)CN(C1CCCN(CC1)C(=O)c1cc2c(s1)CCCCC2)C	PC-id_120439961	364.502	JDAQRRSHSUGLBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089416
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)C(=O)OC(C)(C)C	PC-id_55483954	364.502	WDVLLTLFLINGMI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089417
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(CCC1)C)C(=O)OC	PC-id_22197744	364.502	NIGUJTKVUOVIHH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089418
s1c2c(CCCCC2)c(c1NC(=O)CN1C(CCCC1)C)C(=O)OC	PC-id_5701536	364.502	UOHARPGUFWFCCX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089419
s1c2c(CCCCC2)c(c1NC(=O)CN1CCCCCC1)C(=O)OC	PC-id_17265547	364.502	BYIILBPUYYRWDM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089420
s1c2c(CCCCC2)c(c1NC(=O)NC1CCCCC1)C(=O)OCC	PC-id_4547364	364.502	KCQGIQXHLUAMQE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089421
s1c2c(CCCCCC2)cc1C(=O)NC1CCN(CC1)C(=O)OCC	PC-id_31842310	364.502	AARVDHPNTPIIMA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089422
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCCCC1)C(=O)OC	PC-id_22197580	364.502	CKXIDHMXSBHZKS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089423
s1c2c(CCCCCC2)c(c1NC(=O)NC1CCCCC1)C(=O)OC	PC-id_4108534	364.502	LMCBIUZRJUMZPX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089424
s1c2CCCCCc2c(c1NC(=O)C=Cc1ccc(C(C)C)cc1)C#N	PC-id_4640284	364.504	HOCFHVGKBXEUPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089425
s1c2CCCCCc2c(c1NC(=O)/C=C/c1ccc(C(C)C)cc1)C#N	PC-id_6172883	364.504	HOCFHVGKBXEUPI-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089426
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c12CN(CCCn1nc(CNC(=O)CSCCC)c2)C(=O)C1CCC1	ZINC22_77322968,MCULE-2549096762,PC-id_70717838,EMOLS-id_43562493	364.506	FFBGFMJZIRKAMB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-089428
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c1(NC(=O)CCC(=O)N2CCN(CC2)CC)sc2c(CCCCC2)n1	EMOLS-id_334745023,MCULE-8269910254	364.506	PZIHZNLXADSIFN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089430
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CC(C)N1CCNC(=O)[C@H]1CC(=O)Nc1nc2c(s1)CCCCCC2	ZINC22_1529159046	364.506	MUQXFVHDQOUBJF-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089434
CC(C(=O)N1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_101069038	364.506	YPWXDACDDRLMJZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089435
CC(=O)NCC1CCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111889967	364.506	DMXOKBULFXFYGG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089436
CN1CCC(CC1C)N(C(=O)C(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_111813233	364.506	BXDBKYMEOKANMD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089437
CN(C1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2)C(=O)C	EMOLS-id_111890222	364.506	PUEXOKHUVXPUGP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089438
CNC(=O)C1CCC(CC1)NC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890153	364.506	YQWNYHLNJYYUIH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089439
CNC(=O)CC1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890436	364.506	BGBIUANNNZRYOE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089440
CN(C(=O)N1CCC(CC1)C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_110644567	364.506	WFKMAGUAVQWVLA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089441
CN(C(=O)Nc1sc2c(n1)CCCCCC2)CC1CCN(C1)C(=O)C	EMOLS-id_101101103	364.506	BQHGPANOBARNIK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089442
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s1c2CCCCCc2nc1NC(=O)CCNC(=O)NC1CCCCC1	PC-id_16622902	364.506	ATDOEMAZFIYGPQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089456
s1c2CCCCCCc2nc1NC(=O)CNC(=O)NCC1CCCC1	PC-id_56229502	364.506	RTUAKVYBMCOKLM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089457
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c12-c(c(cc(cc1C)C)C)ccc2/C=C/c1c2-c(c(cc(cc2C)C)C)cc1	PC-id_5379464	364.522	MLKBFZPCSANKLS-BQYQJAHWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-089470
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CCNC(=NCc1nnc2n1CCCCC2)NCC(CCC)(CCC)O	PC-id_109514999	364.529	VMXOWIZARRIHTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089478
CCNC(=NCc1nnc2n1CCCCC2)NCC(CCO)(CC)CC	PC-id_111716640	364.529	FVESEEIXRJPWEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089479
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CN=C(NCCCOCC(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111402383	364.529	OSFHIAAFBVSNHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089487
CN=C(NCCOCCC(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111970766	364.529	KPXDPPDYEAVLTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089488
CN(C(=O)Nc1sc2c(n1)CCCCCC2)CC(c1nccs1)C	EMOLS-id_101100923	364.529	SFTCPRVLZKLDIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089489
OCCC(CC(C)C)CNC(=NCc1nnc2n1CCCCC2)NCC	PC-id_111715562	364.529	ZZCMJWBHCFSSNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089490
O=C(Nc1nc2c(s1)CCCCC2)NCC(c1cccs1)N(C)C	PC-id_112825170	364.529	LNIIQPFJCPCAAH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-089491
O=C(N(CC(C)C)CCN(CC)CC)NCc1n2CCCCCc2nn1	PC-id_60463374	364.529	KUSVEUQYWDHXDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089492
S(c1n2CCCCCc2nn1)CC(=O)NC(C(C)C)c1sccc1	PC-id_43036577	364.529	JBPXOSPAIDHGEX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-089493
C1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC1CCOCC1	PC-id_145451286	364.545	ZAKJWIFYQHNCJV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089494
c1(NC(=O)CCCCCCCCC)sc2c(CCCCC2)c1C(=O)N	MCULE-2554564854,SPECS-id_AK-968/12346382,PC-id_5151519,ZINC22_8431919,CoCoCo_6920323,EMOLS-id_5368620	364.545	BYDRHGXHAZYIMX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089495
CCCCCCCCCCCCN=C1CCOC(=O)c2c(N1)ccs2	PC-id_142217555	364.545	UDEUZGDZKAEIIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089496
CC(N1CCC(CC1)(O)CNC(=O)c1sc2c(c1)CCCCCC2)C	EMOLS-id_100088580	364.545	ADSQIBOTEVBXJG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089497
NCOCc1c(NC(=O)CCC2CCCCC2)sc2c1CCCCC2	PC-id_143517930	364.545	DMVLQUQJDMILQF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089498
OCC1(NCC(C)C)CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_278981536	364.545	VJRVPAFHBAFACR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-089499
s1c2c(CCCCCC2)c(c1NC(=O)CCCCCCCC)C(=O)N	PC-id_5181258	364.545	JEEYNTFBGZJZEX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089500
CC1CCCN(C1)CCCCNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112826065	364.549	KTIHVBJULRMQBC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089501
n12CCCNCc1cc(CCC(=O)NCCCSC1CCCCC1)n2	MCULE-1902513376,ZINC22_72433255,EMOLS-id_43073899,PC-id_70715291	364.549	ZXRWDROCGJJPPD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089502
O=C1NCCCCn2ccnc2SCCCCC/C=CCCCCN1	SCHEMBL17278390,PC-id_118528251	364.549	TZNSXEQKNIBWPB-UPHRSURJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-089503
CCC1SCCN(C1)C(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109485702	364.552	DNEJBDDJMDVJIC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089504
CCNC(=NCC1(C)CCCS1)NCCc1nnc2n1CCCCC2	PC-id_109740199	364.552	IIRRIDYRDVDTJW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089505
CCNC(=NCC1CCCS1)NCCCc1nnc2n1CCCCC2	PC-id_109666025	364.552	CUNWJWBERRYSOG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089506
CCNC(=NCc1nnc2n1CCCCC2)N1CCSC(C1)C(C)C	PC-id_109565044	364.552	MYIWMASIBGPGFO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089507
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCC(C1)SC	PC-id_111529199	364.552	KVXGRJQCWYJXFR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089508
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCSC1	PC-id_112084211	364.552	LTXYTZCUBRDIKX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089509
CN=C(N1CCSC(C1)C(C)C)NCCc1nnc2n1CCCCC2	PC-id_109564608	364.552	ZENZRZCEMJLHPV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089510
CN=C(N1CCSC(C1)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109488472	364.552	VZRVQEJVRRCUAK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089511
CN=C(NCC1(C)CCCS1)NCCCc1nnc2n1CCCCC2	PC-id_109738739	364.552	QFSABDMXSRFIIE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089512
CSC1CCC(C1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111530837	364.552	IELXJZQIZFXMOG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089513
S=c1n(nc2n1CCCCC2)CN1CC[NH+](CC1)Cc1ccsc1	PC-id_30956246	364.552	WJVABUUTUVWEJS-UHFFFAOYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-089514
O=C(C1CCn2c(CC1)nnc2)N1CCC(C1)O[Si](C(C)(C)C)(C)C	EMOLS-id_316579224	364.558	RTOSEMVIPGIJMY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-089515
CC[NH+]1CCN(CC1)CCCNC(=O)c1sc2c(c1)CCCCCC2	GD-id_ZINC41443967	364.568	WQIHOAASPXMXMT-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-089516
CN1CC[NH+](CC1)CCCCNC(=O)c1sc2c(c1)CCCCCC2	GD-id_ZINC41363047	364.568	HOSVCHDMBGMWFE-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-089517
CCCCCCCC[C@@H]1CCCCCCc2c(CC1)c(cs2)C(=O)O	SCHEMBL18661142	364.585	CRSUMNPGHOEVAH-GOSISDBHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089518
c1(C(=O)NCCCN(CC(C)C)CC(C)C)csc2CCCCCc12	CoCoCo_2171595,MCULE-2122244089,PC-id_20881878,ChEMBL-DNDi_CHEMBLC760-1056,EMOLS-id_16062865	364.588	PIOQLWBEXKXOPY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089519
S1CCCCCCCCCCCCSc2sc(=S)sc12	PC-id_10690167	364.676	MFMWDXBZJUIUJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089520
OC(=O)COc1ccc(cc1Cl)NC(=O)c1noc2c1CCCCC2	EMOLS-id_57633261,PC-id_120531946,MCULE-8676156811	364.78	GGJQDMSREUWIMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089521
c1(c[nH]c(=O)c(Cl)c1)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	MCULE-3498122204,EMOLS-id_43117893,ZINC22_72428057,PC-id_56896870	364.784	GOEIDWQACGFUGB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089522
ClC1C=C(C(=O)N2CCCn3nc(cc3C2)CCC(=O)O)C=NC1=O	PC-id_76426507	364.784	YXZMNQNANOYKDV-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-089523
Clc1c(F)cc(NC(=O)C(=O)NCc2n[nH]c3c2CCCCC3)cc1	BindingDB_PC-id_46198992,PC-id_46198992,SCHEMBL6783407	364.802	YXEUJZJLOQLEHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089524
Clc1ccc(c2ccc(Cc3[nH]c4c(c3)C(=O)CCNC4=O)cc2)cc1	PC-id_56970663	364.825	LPDNICVTXNLXIP-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-089525
c12CN(CCCn1nc(CO)c2)Cc1ccc(c(Cl)c1)OCC(=O)N	EMOLS-id_55621788,PC-id_91766756,MCULE-4064724853	364.827	USCOFYXZHOMCQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089526
c12CN(CCCn1nc(CO)c2)Cc1cc(Cl)ccc1OCC(=O)N	PC-id_91763938,MCULE-4535127696,EMOLS-id_55613819	364.827	MLDKXQDACGNYHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089527
Clc1cc(C(=O)NCc2n3CCCCCc3nn2)cc(OC)c1OC	PC-id_46447147	364.827	VQNMXQGVFHWXNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089528
COc1ccc(Cl)cc1C(=O)N(C)C1CCc2nn(C)c(=O)n2CC1	PC-id_91910862,MCULE-8205798350,EMOLS-id_50586077	364.827	KZBMXXUOCRKSHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089529
COc1cc(Cl)c(C)cc1NC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_24111723,PC-id_25604812,MCULE-8833920754,CoCoCo_4447315,ZINC22_12919831	364.827	CNNCCVLFTWJQER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089530
COCc1nnc2n1CCC(CC2)NC(=O)COc1ccc(cc1)Cl	PC-id_91910770,EMOLS-id_50590343	364.827	VCOSNBSYEKWWJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089531
Clc1ccc(c2oc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_27115451	364.828	OVMVQVIEEHDINR-NTCAYCPXSA-N	00000000101000110101100000000010000000000000000000000000	31-01-089532
Clc1ccc(c2oc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_74519850	364.828	OVMVQVIEEHDINR-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-089533
c12CN(CCC)CCCn1nc(CNC(=O)c1ccc(cc1Cl)F)c2	PC-id_70727868,MCULE-5632050244,ZINC22_82100267,EMOLS-id_44431583	364.845	BXNHCQWYXIOQRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089534
c1(CN(C)CC(=O)Nc2ccc(cc2F)Cl)c2CCCCCc2[nH]n1	PC-id_91838305,EMOLS-id_55671035,ZINC22_244601728,MCULE-3387457443	364.845	DRBQNYBHXDISJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089535
Clc1ccc(c(c1)F)C(C(C)C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319657932	364.845	JBWUJIZLSFPXHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089536
CN(C)CCC1CN(Cc2ccnn2C1)C(=O)c1ccc(F)c(Cl)c1	EMOLS-id_50375503	364.845	RQBJAIYNKCDALH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089537
CN(C)CC[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)Cc2ccnn2C1	ZINC22_248135902	364.845	RQBJAIYNKCDALH-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089538
CN(C)CC[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)Cc2ccnn2C1	ZINC22_248135908	364.845	RQBJAIYNKCDALH-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089539
Fc1ccc(c(c1)Cl)C(CNC(=O)C1CCn2c(CC1)nnc2)(C)C	EMOLS-id_319419715	364.845	BVYPGALQTJMIKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089540
O=C(C1CCn2c(CC1)nnc2)NCC(c1cccc(c1F)Cl)(C)C	EMOLS-id_319970783,MCULE-7571832012	364.845	RMRIKSVEAKAQKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089541
C1CCc2c([nH]nc2C(=Cc2ccc(cc2)Cl)C1)C=CS(=O)(=O)O	PC-id_87636419,SCHEMBL4219351	364.846	LDTMUYVFQKKTOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089542
c1(NC(=O)c2cccnc2Cl)sc2c(CCCCC2)c1C(=O)OC	BAS-02052659,MCULE-5255994750,EMOLS-id_1363047,CoCoCo_228637,PC-id_1137460,ZINC22_879561,STOCK3S-00500	364.846	NWGCVEOKDIHMKR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089543
c1(NC(=O)Nc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)O	PC-id_28860438,EMOLS-id_179129669,MCULE-2274109900	364.846	YTGKCQXLOAKIJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089544
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)O	PC-id_28860441,EMOLS-id_179129672,MCULE-3211638815	364.846	WNYDHECFGLAVFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089545
Clc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2/C=C/S(=O)(=O)O	SCHEMBL4227168	364.846	LDTMUYVFQKKTOI-SNMPHBPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089546
Clc1cccc(c1)C(=O)/N=c/1sc2c(n1CC(=O)O)CCCCC2	SCHEMBL14807381,PC-id_71537014	364.846	UMBJOONCAGUAPO-ZPHPHTNESA-N	00000000100000110101000000000010000000000000000000000000	31-01-089547
Clc1ccc(NC(=O)COC(=O)c2sc3CCCCCc3c2)nc1	PC-id_7351942	364.846	QKBXGYKCSDJCFB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089548
Clc1nccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c1	PC-id_52638596	364.846	RHXXKWDIWNRKHU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089549
Clc1ncc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_52598426,EMOLS-id_323882744	364.846	JNDFDSVCUACWTO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089550
O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1cccnc1Cl	PC-id_4855368,ZINC22_5361749,CoCoCo_2861299,EMOLS-id_2881464,MCULE-6114411537	364.846	CQPZIIMGUQZLPL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089551
Clc1ccc(cc1)NC(=O)Nc1sc2c(c1C(=O)N)CCNCC2	PC-id_118307466,SCHEMBL17018773	364.85	LOSMERIFNYQCIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089552
Clc1cc(ccc1S(=O)(=O)NCc1n[nH]c2CCCCCc12)C#N	ZINC22_670448957,EMOLS-id_222765937,MCULE-7817248413	364.85	QDRPVGWSESCSOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089553
Clc1c(NC(=O)C[NH+](Cn2nc3n(CCCCC3)c2=O)C)cccc1	PC-id_25958603	364.85	WXKFWBPLVMVTJN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-089554
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1cccc(Cl)n1	ZINC22_1565553937,EMOLS-id_313794354	364.85	NDQFMMPLKNZIEQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089555
CNC(=O)c1nc2CCN(CCc2s1)C(=O)Nc1cccc(Cl)c1	EMOLS-id_44303904,PC-id_97442492,ZINC22_96146968	364.85	MMOZBXUEONHJSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089556
CNC(=O)N1CCc2c(CC1)nc(s2)C(=O)Nc1cccc(c1)Cl	PC-id_97442430	364.85	HYGSFHJOIQGWON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089557
CNC(=O)N1CCc2c(CC1)nc(s2)C(=O)Nc1ccc(cc1)Cl	PC-id_97524658	364.85	KCSKLMUFOOPENF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089558
O=C(Nc1sc2c(c1C(=O)N)CCCNC2)Nc1ccc(cc1)Cl	SCHEMBL17006451,PC-id_118307438	364.85	GAERSBOAGIIJFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089559
Brc1c2-c(c(Br)c1)cccc(Br)c2	PC-id_10981368	364.859	RCCBHWNCGKBPTR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-089560
Brc1c2-c(c(c1Br)Br)ccccc2	PC-id_139687013	364.859	RZZITKPLZFLNEX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-089561
CCOc1c(Cl)cc(CNCc2nnc3n2CCCCC3)cc1OC	ZINC22_95377577,MCULE-3421087138,CoCoCo_3923814,PC-id_45844198	364.87	MATXXUYANJNZTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089562
COc1cc(Cl)c(CN2CCc3nnc(C(C)C)n3CC2)cc1OC	EMOLS-id_20440311,CoCoCo_1187073,MCULE-1342705282,PC-id_42461233,CoCoCo_1187072,ZINC22_12203218	364.87	TTZCDADWEHORBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089563
c12CN(CCC)CCCn1nc(CNC(=O)CCn1cc(cn1)Cl)c2	MCULE-6645281978,EMOLS-id_44436495,ZINC22_82114461,PC-id_70741553	364.873	IDFSMYHSAFGZSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089564
c12CN(CCCn1nc(CNC(=O)Cn1cc(cn1)Cl)c2)CC(C)C	PC-id_70741020,ZINC22_82109681,MCULE-2688962707,EMOLS-id_44436271	364.873	HCBKXXAACMHAEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089565
Cc1nn(CCNC(=O)CCc2cc3CNCCCn3n2)c(C)c1Cl	MCULE-1796433975,EMOLS-id_43088577,ZINC22_72410756,PC-id_70723427	364.873	WJWQFPQEDVEJGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089566
c1(NC(=O)CCCOc2ccccc2Cl)sc2c(CCCCC2)n1	MCULE-1171107517,EMOLS-id_334602873	364.89	JKSVJRPRHYMZQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089567
c1(NC(=O)CCCOc2ccc(cc2)Cl)sc2c(CCCCC2)n1	MCULE-9117488315,EMOLS-id_334603897	364.89	ZTNYTINUPSUEAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089568
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)sc2c(CCCCC2)n1	MCULE-4251562213,EMOLS-id_334605687	364.89	DGLFVYCAQHVPBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089569
C[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccccc1Cl	CoCoCo_3082289,PC-id_7877631,ZINC22_6098460	364.893	VREXPBCEGGVNSX-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089570
C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccccc1Cl	ZINC22_6098462,CoCoCo_3082288,PC-id_7877633	364.893	VREXPBCEGGVNSX-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089571
Clc1ccc([C@@H](NC(=O)CSc2n3CCCCCc3nn2)C)cc1	PC-id_7877618	364.893	ZTFCTOOIHPGBOJ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089572
Clc1ccc([C@H](NC(=O)CSc2n3CCCCCc3nn2)C)cc1	PC-id_7877619	364.893	ZTFCTOOIHPGBOJ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089573
Clc1ccc(C(NC(=O)CSc2n3CCCCCc3nn2)C)cc1	PC-id_78559307	364.893	ZTFCTOOIHPGBOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089574
Clc1ccc(CN(C(=O)CSc2n3CCCCCc3nn2)C)cc1	PC-id_7877450	364.893	HZUYKCBUONGNKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089575
Clc1cc(CCNC(=O)CSc2n3CCCCCc3nn2)ccc1	PC-id_8379445	364.893	GGXWORFWEQFBBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089576
Clc1ccc(CSCC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266303	364.893	FOIAZASYSFZUHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089577
Clc1cc([C@@H](NC(=O)CSc2n3CCCCCc3nn2)C)ccc1	PC-id_7877634	364.893	PGKAIOJULUOPOR-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089578
Clc1cc([C@H](NC(=O)CSc2n3CCCCCc3nn2)C)ccc1	PC-id_7877636	364.893	PGKAIOJULUOPOR-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089579
Clc1cc(C(NC(=O)CSc2n3CCCCCc3nn2)C)ccc1	PC-id_78559308	364.893	PGKAIOJULUOPOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089580
Clc1cc(CSCC(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_51266301	364.893	QRTXGTJWPGVEPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089581
Clc1c(C(NC(=O)CSc2n3CCCCCc3nn2)C)cccc1	MCULE-3424303188,CHEMBL1871532,ChEMBL-DNDi_CHEMBL1871532,EMOLS-id_3694237,PC-id_16348167	364.893	VREXPBCEGGVNSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089582
Clc1c(C(=O)NCCc2n3CCCCCc3nn2)cc(SC)cc1	PC-id_60389677	364.893	IFRXIBDCTYPJKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089583
Clc1c(NC(=O)CSc2n3CCCCCc3nn2)c(cc(c1)C)C	PC-id_7876799	364.893	IBQKUOOVWKBUQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089584
O=C(CSc1nnc2n1CCCCC2)NCCc1ccc(Cl)cc1	MCULE-6191688789,ZINC22_6097231,EMOLS-id_11879210,CoCoCo_3081511,PC-id_7876752	364.893	WZDSUSRLSZXZIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089585
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3C4=CC=CC=CC4=NC3=O	PC-id_154179638	365.057	YKPOZMXHKHVNAH-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-089586
CN1C=NC2=C1NC(=O)[C@H](CC2)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4	PC-id_160782469	365.16	AJQXCRSYXNDKSO-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089587
Ic1c2-c(c(/N=N/c3sccn3)c1)ccccc2	PC-id_21583822	365.192	MHSFXUULDGXMFM-WUKNDPDISA-N	00000010100000000111000000000010000000000000000000000000	31-01-089588
Ic1ccc(Cn2cc3CCCCC(=O)c3c2)cc1	PC-id_83207711	365.209	IYVFQQZREZBTNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089589
Clc1ccc(c(c1F)Cl)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320057393,MCULE-8772994638	365.211	XNPFVGBNNORUBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089590
C1CN(Cc2cc(nn2C1)C#N)C(=O)OCc1cc(cc(c1)Cl)Cl	PC-id_86345513,SCHEMBL16101321	365.214	QNOGYNJIUNETGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089591
Brc1c(OC2CCN(Cc3occc23)C)ccc(c1)C(=O)N	PC-id_68411947	365.222	BRZYTRRTIYPJJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089592
BrC1COC(c2nn(cc2C1=O)Cc1ccc(OC)cc1)C	SCHEMBL6837352,PC-id_69912366	365.222	UKUWHDPHFWBFKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089593
COc1nc(C)c(cc1C(=O)N1CCCc2c(C1)cco2)Br	EMOLS-id_99370645	365.222	NFCYWOLQHHSSQW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089594
Brc1cccc(NC(=O)Cn2nc3CCCCCn3c2=O)c1	CoCoCo_4406368,ZINC22_14136340,EMOLS-id_13486957,PC-id_17450076,SPECS-id_AT-687/NB01973,MCULE-8986362125	365.225	KVOKSYJEAVHXSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089595
Brc1ccc(NC(=O)Cn2c(=O)n3c(CCCCC3)n2)cc1	ZINC22_12780208,CoCoCo_4406356,MCULE-1196694597,SPECS-id_AT-687/NB01952,PC-id_17527986,EMOLS-id_16758310	365.225	DJZQJHHKDQXDOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089596
Brc1ccc(=O)n(c1)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670046	365.225	FHPWEFZGWRBQNW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089597
Brc1cc(O)c(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_60599088	365.225	SCCGBTUCMFBPSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089598
COc1ccc(c(c1)Br)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278132639	365.225	HCHATGIGJOSSOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089599
O=C(c1cc(Br)c(nc1C)O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678243	365.225	BAAGEQZBSXGHFC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089600
O=C(N1CCCc2c(C1)cnn2C)Cc1ccnc(c1Br)O	EMOLS-id_101676584	365.225	MPVYWAFFVHSQKP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089601
O=C(Nc1cc(Br)ccc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102008475	365.228	QRVZCEULENSWBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089602
O=C(Nc1ccc(c(c1)Br)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102003243	365.228	CLALIMQGJOTSHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089603
O=C(Nc1cccc(c1Br)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102022624	365.228	QBCRVWRGCAFYMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089604
O=C(Nc1ccc(cc1Br)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102027292	365.228	ZLCFWWXSKICURC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089605
O=C(Nc1cccc(c1C)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102018139	365.228	CXGMOQBHUOQOES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089606
O=C(Nc1ccc(c(c1)C)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102025543	365.228	SUMLDFDPYUUJML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089607
O=C(Nc1ccc(cc1C)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102027544	365.228	PPDBKIJWGQCQBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089608
O=C(Nc1cc(C)ccc1Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102010506	365.228	HSAYXEFEFJISJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089609
O=C(Nc1cc(C)cc(c1)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102024091	365.228	PRNODYBYMSALTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089610
Cc1nc2=CC(C(CC=c2s1)COC)(OC)I	PC-id_90350588,SCHEMBL15963874	365.23	POWBSDQPKGJYCN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-089611
[B][P+](c1ccccc1)(c1ccccc1)c1cc2-c(c(cc(cc2C)C)C)c1	PC-id_135030689	365.235	XYTATUJSMUCQIP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-089612
Brc1oc(C(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_4082208	365.245	TWXLEVFLOVUXJN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-089613
N#Cc1c(sc2c1CCCCC2)NC(=O)c1ccoc1Br	PC-id_106852792	365.245	XCAWQOBFBYSFOA-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-089614
Brc1nc(Sc2n3CCCCCc3nn2)c2n(c1)ccn2	PC-id_79954511	365.252	ULKJVMWQQCRHOH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089615
CC(C)COCCCC(=O)COC1CCCCCC2=C1N=NN2C(C)C	PC-id_164954370	365.268	DZLJUPYRPSSHDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089616
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C#N	BAS-00542276,ZINC22_687064,SPECS-id_AK-968/37005292,CoCoCo_91490,EMOLS-id_1240071,MCULE-6655324446,PC-id_1021510,ChEMBL-DNDi_CHEMBL5530489	365.277	AITQVKGMKMLBLZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089617
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCCCC2)c1C#N	ZINC22_687033,EMOLS-id_1239817,PC-id_1021483,MCULE-5395215008,SPECS-id_AK-968/37005234,CoCoCo_91287,BAS-00540807	365.277	SLLMFVHWAFMJIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089618
Clc1c(C(=O)Nc2sc3CCCCCc3c2C#N)cc(Cl)cc1	PC-id_4361771	365.277	UNLNPGUGMHXXOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089619
Clc1c(C(=O)Nc2sc3CCCCCc3c2C#N)c(Cl)ccc1	PC-id_4682562	365.277	ANHMINCCAWKYOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089620
FC(c1cc(CN2CCCn3c(C2)nnn3)cc(c1)C(F)(F)F)(F)F	PC-id_143775129	365.277	MLFBAJZIWDZCBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089621
N#Cc1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCCCC2	PC-id_2329933,EMOLS-id_43827650,MCULE-1902527848,CoCoCo_3268394,ZINC22_3209600	365.277	DOARWXYMRYERIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089622
Brc1cc(C(=O)c2sc3CCCCCc3c2)ccc1OC	PC-id_43463349	365.285	GBMIAUGUAGIRAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089623
Brc1cc(C(=O)c2sc3CCCCCc3c2)c(OC)cc1	PC-id_43463365	365.285	RLMLOOMPXXVSIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089624
Brc1c(C(=O)c2sc3CCCCCc3c2)ccc(OC)c1	PC-id_60787286	365.285	APURNSJHXOPGPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089625
Fc1cccnc(c2n(cc1)c(=O)n(n2)Cc1c(F)cc(cc1F)F)N	PC-id_144188807	365.285	JMKJWFOFYPBJSV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-089626
Brc1cc(C=Cc2sc3NCCCCc3n2)ccc1OC	PC-id_53647545	365.288	AKJNTSBAMAYDJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089627
Brc1cc(/C=C/c2sc3NCCCCc3n2)ccc1OC	SCHEMBL8315812,PC-id_15069503	365.288	AKJNTSBAMAYDJY-SOFGYWHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089628
Brc1ccc(CC(=O)Nc2nc3CCCCCc3s2)cc1	EMOLS-id_334602352,MCULE-1074397719,PC-id_46696560	365.288	BMQWCEVMCIWCHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089629
Brc1ccc(c(n1)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_108186394	365.288	DNVITJDVCIVUSV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089630
Brc1c(cc(NC(=O)c2sc3CCCCCc3c2)nc1)C	PC-id_79736319	365.288	TVJAFAMTZSPPQL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089631
Brc1cc(c(NC(=O)c2sc3CCCCCc3c2)nc1)C	PC-id_83168896	365.288	IURNUMMIYZMYSR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089632
Brc1cc(N)c(NC(=O)c2sc3CCCCCc3c2)cc1	PC-id_29008262	365.288	PYQCCDZQEQZQHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089633
Brc1cc(NC(=O)c2sc3CCCCCc3c2)ccc1N	PC-id_82863115	365.288	KGPQFXHPZFQVIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089634
Brc1c(N)cc(NC(=O)c2sc3CCCCCc3c2)cc1	PC-id_79754381	365.288	VPVBXTDCNZMLLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089635
Brc1c(nc(NC(=O)c2sc3CCCCCc3c2)cc1)C	PC-id_79041520	365.288	DMJQHPJJVRPCGX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089636
Brc1c(NC(=O)c2sc3CCCCCc3c2)ccc(N)c1	PC-id_43549475	365.288	WTTAARWRYRZOPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089637
Brc1c(NC(=O)c2sc3CCCCCc3c2)cc(N)cc1	PC-id_81505553	365.288	LRBSALKVZGUTEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089638
O=C(c1cc2c(s1)CCCCC2)Nc1cnc(c(c1)C)Br	PC-id_108186193	365.288	CDGWYDRRIGUPRX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089639
Fc1cc(F)c(c(c1F)S(=O)(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102028571	365.307	ZLFVRAMBECEHHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089640
O=C(c1noc2c1CCCCC2)Nc1ccc2c(c1)nc(o2)C(F)(F)F	EMOLS-id_100957080	365.307	LKLXYCRGZLXILF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089641
Brc1c(cc(C(O)c2sc3c(CCCCC3)c2)c(c1)C)C	PC-id_64182485	365.328	KSQOSKQPQUAFRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089642
BrC(c1sc2c(CCCCC2)c1)c1c(cc(OC)cc1)C	PC-id_63438656	365.328	IJTPEQLKXNHPSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089643
BrC(c1sc2c(CCCCC2)c1)c1cc(c(OC)cc1)C	PC-id_63442965	365.328	VNAXZBGTPMDIGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089644
BrC(c1sc2CCCCCc2c1)c1ccc(OCC)cc1	PC-id_63436925	365.328	CGTSFELFDUNTDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089645
BrC(c1sc2c(CCCCC2)c1)c1c(OC)ccc(c1)C	PC-id_63443211	365.328	LSBCFGWNFJBYSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089646
BrC(c1sc2c(CCCCC2)c1)Cc1ccc(OC)cc1	PC-id_63542245	365.328	IHCMBHVNYGAFSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089647
BrC(c1sc2c(CCCCC2)c1)Cc1cc(OC)ccc1	PC-id_63543985	365.328	ZMMRHNCURGKBJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089648
BrC(c1sc2c(CCCCC2)c1)Cc1c(OC)cccc1	PC-id_63542117	365.328	GYSBSUMIVJIHAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089649
CNC(c1cc2c(s1)CCCCC2)Cc1ccc(cn1)Br	PC-id_105036363	365.331	TZPNDLOPOZESFD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089650
CNC(c1cc2c(s1)CCCCC2)Cc1cncc(c1)Br	PC-id_105036872	365.331	ITKYOCHZAFGZPJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-089651
NNC(c1cc2c(s1)CCCCC2)Cc1ccccc1Br	PC-id_105283854	365.331	CPUCDHGKFPPCQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089652
NNC(c1cc2c(s1)CCCCC2)Cc1ccc(cc1)Br	PC-id_105284338	365.331	YFMSYSBESDKVCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089653
NNC(c1cc2c(s1)CCCCC2)Cc1cccc(c1)Br	PC-id_105284494	365.331	ABCNWQUBFLIASY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089654
O=C(NCc1nnc2n1CCCCC2)Nc1ccc2c(c1)OC(F)(F)O2	MCULE-6656916374,PC-id_51115294,ZINC22_43851536,EMOLS-id_44110785	365.335	CCHYIQAYCGLJCK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-089655
CCOC(=O)c1c(c(c2-c1ccccc2)N=Nc1ccc(cc1)[N+](=O)[O-])O	PC-id_136858967	365.339	UEMHQDJMBIHUNE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-089656
c1(C(O)C2CC2)cc2n(CCCN(C2)C(=O)c2c(F)ccc(F)c2F)n1	EMOLS-id_55704236,PC-id_91795219,MCULE-7261559459	365.35	BGXZSQLPZKBRDW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-089657
O=C(c1c(F)ccc(F)c1F)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_223641860,PC-id_100284917	365.35	BGXZSQLPZKBRDW-KRWDZBQOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-089658
O=C(c1c(F)ccc(F)c1F)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_223641917,PC-id_100284927	365.35	BGXZSQLPZKBRDW-QGZVFWFLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-089659
CCOC(=O)c1c2-c(ccccc2)c(c1O)C=Nc1ccc(cc1)[N+](=O)O	PC-id_136814867	365.359	RJVKXLOJYLDDMP-UHFFFAOYSA-O	00000010100000110110000000000010000000000000000000000000	31-01-089660
Cn1c(=O)n2CCN(CCc2n1)S(=O)(=O)c1cc2c(cc1)[nH]c(=O)o2	PC-id_91910716,EMOLS-id_50585947,MCULE-4498642299	365.364	QJOIUEUPUOMGCJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089661
CCOC(=O)N1CCc2c(CC1)cc(s2)C(C(F)(F)F)CC(=O)O	PC-id_90296588,SCHEMBL15894809	365.368	OLUSBUPWOZELIK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-089662
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccccc1OC(F)F	MCULE-1407325503,EMOLS-id_43069957,PC-id_56885193,ZINC22_72429525	365.374	DQULSXQRMJGZCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089663
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1c(F)cc(cc1F)OC	EMOLS-id_43164134,MCULE-2783649288,ZINC22_72475155,PC-id_56911532	365.374	ZZLUFBCVEVOWGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089664
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1c(OC)ccc(F)c1F	PC-id_56905324,EMOLS-id_43145742,MCULE-9908149969,ZINC22_72454713	365.374	IIXUGHBTWJQCSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089665
COCCNC(=O)c1nc2c(o1)CCN(CC2)Cc1c(c(ccc1)F)F	PC-id_134810629	365.374	OVQHAFXNKOFRIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089666
O=C(CSc1nnc2n1CCCCC2)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC22_24173235,PC-id_31634498,MCULE-4656285081,EMOLS-id_43775526,CoCoCo_3082156	365.383	QZOHVNNZZCXRIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089667
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc([N+](=O)[O-])ccc1F	PC-id_7877588	365.383	INSAHASFFIKFGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089668
CC(C)(C)OC(=O)N1CC(C1)CC1C=NCCn2cc(nc2O1)[N+](=O)[O-]	PC-id_89580260,SCHEMBL14965905	365.384	NTKQLZKETSPSIT-UHFFFAOYSA-N	00001000100000000111000000000010000000000000000000000000	31-01-089669
CC(C)(C)OC(=O)N1CC(C1)CC1CN=CCOc2nc(cn12)[N+](=O)[O-]	SCHEMBL14965904,PC-id_89580259	365.384	OCKXGHFGSUAPIY-UHFFFAOYSA-N	00001000100000000111000000000010000000000000000000000000	31-01-089670
c1(c(C)onc1c1ccccc1)C(=O)N1CCn2c(CC1)nc(C(=O)N)c2	ZINC22_1875250346,MCULE-6395439915,EMOLS-id_331126577	365.386	QKOYLQOUAJNNRG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089671
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1ccncc1)[N+](=O)[O-]	PC-id_89579978,SCHEMBL14965513	365.386	NXVULEOCWCGZFE-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-089672
C1Cn2cc(nc2OCCN1Cc1cccc(c1)c1ccncc1)[N+](=O)[O-]	SCHEMBL14966205,PC-id_89580483	365.386	LMHXHNJETGXCTB-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-089673
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1cnccc1)[N+](=O)[O-]	SCHEMBL14965550,PC-id_89580003	365.386	GTUCZZSZLFTIDO-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-089674
c1cnc(O[C@H]2CN(Cc3ccc4c(c3)OCO4)Cc3ccnn3C2)nc1	ZINC22_306124478	365.386	BQTHIVFGAXJFHW-INIZCTEOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-089675
c1cnc(O[C@@H]2CN(Cc3ccc4c(c3)OCO4)Cc3ccnn3C2)nc1	ZINC22_306124479	365.386	BQTHIVFGAXJFHW-MRXNPFEDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-089676
c1(C(=O)OC)cc2n(CCCN(C2)C(=O)c2ccccc2c2[nH]ccn2)n1	PC-id_50957311,EMOLS-id_32385574,ZINC22_67689213,MCULE-1975325113	365.386	RNGWMAPJIMXYLN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089677
Cc1ccc(C(=O)N2Cc3ncnn3C[C@H](C(=O)Nc3ccccc3)C2)o1	ZINC22_1565546365	365.386	ZFZNJWWGEVESJW-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089678
Cc1ccc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)Nc3ccccc3)C2)o1	ZINC22_1614929377	365.386	ZFZNJWWGEVESJW-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089679
Cc1ccc(C(=O)N2CCCn3cnc(C(=O)Nc4cccnc4)c3C2)o1	EMOLS-id_313789497,ZINC22_1565546586	365.386	AHFZQEIMJFIOSK-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089680
Cc1ccc(o1)C(=O)N1CC(Cn2ncnc2C1)C(=O)Nc1ccccc1	EMOLS-id_313722838	365.386	ZFZNJWWGEVESJW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089681
Cc1c(c(=O)[nH]c(n1)c1ncccn1)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_316822497,PC-id_136543667	365.386	SOPOELWBRJHXLP-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-089682
Cc1c(ocn1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	PC-id_137637764	365.386	YCMKKKLVYNEWHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089683
Cc1c(onc1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	PC-id_137646280	365.386	KXGTZQAOFACZQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089684
CCOC(=O)C1(CC(=CNc2c(cnn12)C#N)C(=O)C)Nc1ccccc1	PC-id_135604762	365.386	RCEZXSAOUHIKBP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-089685
[C@@H]1(OCC(=O)N[C@@H]1c1ccccc1)C(=O)N1CCCn2nc(C#N)cc2C1	ZINC22_1529158397,EMOLS-id_316211153,MCULE-3415153653,PC-id_134705166	365.386	BLKSIRYCLVRRLG-MSOLQXFVSA-N	00000000100010110101100000000010000000000000000000000000	31-01-089686
C(N1CC(Cn2nccc2C1)Oc1ncccn1)c1ccc2OCOc2c1	EMOLS-id_50020846	365.386	BQTHIVFGAXJFHW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-089687
n12CCN(CCc1nnc2CNC(=O)c1ccccc1)C(=O)c1ccco1	EMOLS-id_232703442,MCULE-6057803266,ZINC22_11969512,PC-id_42321998	365.386	JXNCOMLUXRZEIV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089688
O1CCN(CCn2c1nc([N+](=O)[O-])c2)Cc1cc(ccc1)c1cccnc1	PC-id_71569323,SCHEMBL14966240	365.386	ZEXBBDRONQRDOP-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-089689
c1(Cn2cc(nn2)Cn2c3ccccc3oc2=O)nnc2CCCCCn12	ZINC22_91547846,EMOLS-id_46048485,PC-id_72870162,MCULE-1569083245	365.389	HVGYEUUNPCNCBW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089690
c1(cnn(c2ccccn2)c1C)C(=O)N1CCn2c(CC1)nc(C(=O)N)c2	MCULE-5585810204,ZINC22_1875247194,EMOLS-id_331152666	365.389	FFRKIVHNRVARLA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-089691
Cc1cncc(c1)C(=O)N1CCc2nnc(COc3cncnc3)n2CC1	PC-id_97405412,ZINC22_96084588,EMOLS-id_46182181	365.389	SPKNSPSFQYGTJH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089692
Cc1nn2CCC(C(=O)Nc2c1)NC(=O)c1nn(cn1)Cc1ccccc1	PC-id_137052848,SCHEMBL18373021	365.389	VQZTXVPQMDFQCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089693
Cc1nn2CC[C@H](C(=O)Nc2c1)NC(=O)c1nn(cn1)Cc1ccccc1	PC-id_137052818,SCHEMBL18367107	365.389	VQZTXVPQMDFQCO-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089694
Cc1nn2CC[C@@H](C(=O)Nc2c1)NC(=O)c1nn(cn1)Cc1ccccc1	SCHEMBL18367114,PC-id_137052819	365.389	VQZTXVPQMDFQCO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089695
CN1c2ccnn2CC[C@H](NC(=O)c2ncn(Cc3ccccc3)n2)C1=O	BindingDB-id_1028208,SCHEMBL18367466	365.389	NZKJHEZAYPWJFW-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089696
O=C(NCc1ccccc1)C1CN(Cc2ncnn2C1)C(=O)c1cc[nH]n1	EMOLS-id_313721560	365.389	KLPDQEUPFGUWEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089717
Cn1cnc(C(=O)N2CCCn3ncc(C(=O)Nc4ccccc4)c3C2)n1	EMOLS-id_313765837,ZINC22_1565545737	365.389	MXDCWEOSBLMLPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089697
N#CC(c1nnc2n1CCCCC2)C(=O)c1nc(oc1C)c1cnn(c1)C	EMOLS-id_100963743	365.389	UQWPLHKMVUXQLS-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-089698
O=C1C(CCn2c(N1C)ccn2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366239	365.389	NZKJHEZAYPWJFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089699
O=C1C(CCn2c(N1C)ccn2)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL18366164	365.389	ZDBZCIUKYGYGPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089700
O=C1C(CCn2c(N1C)cnc2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366384	365.389	WCZJDLDYMYURTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089701
O=C1C(CCn2c(N1C)cnc2)NC(=O)c1n[nH]c(n1)Cc1ccccc1	SCHEMBL18366566	365.389	GUTBZSDISOEYGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089702
O=C1C(CCn2c(N1C)cnc2)NC(=O)c1nnn(c1)Cc1ccccc1	SCHEMBL18366567	365.389	WGCWLDRWEQEMDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089703
O=C1C(CCn2c(N1C)ncc2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366364	365.389	CKPWBDWURWNPIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089704
O=C1C(CCn2c(N1C)ncc2)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL18372468	365.389	UKSHNBJPZZLGSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089705
O=C1C(CCn2c(N1C)ncc2)NC(=O)c1nnn(c1)Cc1ccccc1	SCHEMBL18366365	365.389	JVAVFOMIQIZSPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089706
O=C1[C@@H](CCn2c(N1C)ccn2)NC(=O)c1n[nH]c(n1)Cc1ccccc1	SCHEMBL18366156	365.389	ZDBZCIUKYGYGPQ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089707
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1n[nH]c(n1)Cc1ccccc1	SCHEMBL18366158	365.389	ZDBZCIUKYGYGPQ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089708
O=C1[C@H](CCn2c(N1C)cnc2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366572	365.389	WCZJDLDYMYURTB-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089709
O=C1[C@H](CCn2c(N1C)ncc2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18373018	365.389	CKPWBDWURWNPIL-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089710
O=C1Nc2cnn(c2CCC1NC(=O)c1nnc([nH]1)Cc1ccccc1)C	SCHEMBL19207632	365.389	FGLKNFROQKCRQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089711
O=C1Nc2cn(nc2CCC1NC(=O)c1nnc([nH]1)Cc1ccccc1)C	SCHEMBL19207796	365.389	OKQRXGWPYUFKJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089712
O=C1Nc2cnn(c2CC[C@@H]1NC(=O)c1nnc([nH]1)Cc1ccccc1)C	BindingDB_PC-id_130299156,SCHEMBL19207702	365.389	FGLKNFROQKCRQA-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089713
O=C1Nc2cnn(c2CC[C@H]1NC(=O)c1nnc([nH]1)Cc1ccccc1)C	BindingDB_PC-id_130299218,SCHEMBL19207763	365.389	FGLKNFROQKCRQA-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089714
O=C1Nc2cn(nc2CC[C@H]1NC(=O)c1nnc([nH]1)Cc1ccccc1)C	BindingDB_PC-id_130299249,SCHEMBL19207793	365.389	OKQRXGWPYUFKJO-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089715
O=C1Nc2cn(nc2CC[C@@H]1NC(=O)c1nnc([nH]1)Cc1ccccc1)C	SCHEMBL19207840,BindingDB_PC-id_130299293	365.389	OKQRXGWPYUFKJO-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089716
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1	ZINC22_1565544538	365.389	KLPDQEUPFGUWEJ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089718
O=C(NCc1ccccc1)[C@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1	ZINC22_2055704323	365.389	KLPDQEUPFGUWEJ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089719
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)Nc2cccc(CC)c2)n1	CoCoCo_6628674,MCULE-4209147102,PC-id_17382180,ZINC22_12846708,EMOLS-id_7710096,TIMTEC372680	365.393	PBMOCDCFWUNVHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089720
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1ccc(cc1)CC	PC-id_19523622	365.393	RWQCIJRLYZJRML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089721
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(ccc(c1)C)C	PC-id_19523686	365.393	JXLLNMJPPGLMPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089722
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(c(ccc1)C)C	PC-id_19527283	365.393	JDYDJHHZLITCAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089723
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(cccc1C)C	PC-id_19527326	365.393	ZDBHUJYHVJOALT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089724
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(c1ccccc1)C	PC-id_19523634	365.393	RNMFYJIYKZXBTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089725
c1(NC(=O)c2ccc(c(F)c2)F)sc2c(CCCCC2)c1C(=O)OC	PC-id_3566918,EMOLS-id_5119996,SPECS-id_AK-968/41017029,ZINC22_2805883,MCULE-2985902900,CoCoCo_5806423,TIMTEC316387	365.394	MQPBIBXHSTWKBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089726
c1(NC(=O)c2cc(F)cc(F)c2)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_5823517,MCULE-4701045411,PC-id_1011951,TIMTEC361410,ZINC22_672738,EMOLS-id_5124870,SPECS-id_AK-968/15252207	365.394	OOVSXEXCADTNCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089727
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccc(s1)C(F)(F)F	EMOLS-id_101950977	365.394	FNYVDURJAQJQOV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-089728
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(F)c(F)cc1	PC-id_7352096	365.394	QKCJZMHJVXOROB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089729
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(F)cccc1F	PC-id_7352103	365.394	YRLJVEFXXHCZTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089730
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(F)ccc(F)c1	PC-id_7351943	365.394	ISTCPPPCNOTVEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089731
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(F)cc(F)cc1	PC-id_7352099	365.394	QKTJNAMIZLXJOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089732
s1c2c(CCCCC2)c(c1NC(=O)c1c(F)cccc1F)C(=O)OC	PC-id_4155166	365.394	FVKXABUUEZUGRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-089733
CC1CC=Cc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	PC-id_139471020,SCHEMBL21337013	365.398	IEIAXSCLDTURJU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-089734
O=C(CNC(=O)c1ccc(F)cc1F)Nc1nc2c(s1)CCCCC2	CoCoCo_4564248,MCULE-6527703106,ZINC22_22326207,EMOLS-id_44040781,PC-id_24611872	365.398	NDGCBJKMRIASLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089735
C1CN(Cc2cc(nn2C1)OCc1ccccc1)C(=O)c1ccc(cc1)F	SCHEMBL16296938,PC-id_86706495	365.401	BNTQGPHAKLADEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089736
C1CN(CCc2c1nc(o2)C(=O)Nc1ccccc1)Cc1ccc(cc1)F	PC-id_134805179	365.401	ZNDJKMJOBMCFTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089737
Fc1cccc(c1)C(=O)N1CCCn2c(C1)cc(n2)OCc1ccccc1	PC-id_117751927,SCHEMBL16309531	365.401	IMONMRWGPOAZCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089738
O=C(c1cc2c(s1)n(nc2C(F)F)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101676620	365.401	UXEMCDDTMOATEX-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-089739
Cc1c2-c(ccccc2)c(c1)C=C1c2c(ccc(c2)S(=O)(=O)O)NC1=O	PC-id_87505004,SCHEMBL3285977	365.402	CYGQDRLJXDQHST-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-089740
O=C1Nc2c(/C/1=C/c1cc(c3-c1ccccc3)C)cc(cc2)S(=O)(=O)O	SCHEMBL3285974	365.402	CYGQDRLJXDQHST-ZDLGFXPLSA-N	00000010100000100110000000001010000000000000000000000000	31-01-089741
CCOC(=O)c1c(sc2c1CCCCC2)/N=C(/c1[n+]([nH]oc1=O)C)[O-]	PC-id_136120637	365.404	XTZFUFVFHXCRMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089742
C[n+]1c(c(=O)o[nH]1)/C(=N/c1c(c2c(s1)CCCCCC2)C(=O)OC)/[O-]	PC-id_136120600	365.404	HSMSMSPZJGXRMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089743
COc1ccc(OC)c(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)c1	PC-id_53182793,EMOLS-id_33086292,MCULE-6155669865	365.404	KTBTZDODEPBJOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089744
COc1cc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)cc(OC)c1	EMOLS-id_33086252,MCULE-2763183676,PC-id_53182785	365.404	ISAPCKDUEJHTCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089745
Fc1cccc(c1)c1ccc(cn1)C(=O)NCc1cc2CNCCCn2n1	PC-id_70733891,EMOLS-id_44433769,MCULE-6170304096,ZINC22_82107919	365.404	NDOAQYFBMKYTHL-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-089746
Fc1cccc(c1)C(=O)N1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_50375241	365.404	ZVQUNGPFMFGFHP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089747
Fc1cccnc1c1cccc(c1)C(=O)NCc1cc2CNCCCn2n1	PC-id_121496277,ZINC22_426387584,EMOLS-id_177373515,MCULE-1189246467	365.404	BWMZDJUSJSNMSN-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-089748
O=C(c1cccc(F)c1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_247967656	365.404	ZVQUNGPFMFGFHP-HNNXBMFYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089749
O=C(c1cccc(F)c1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_247967661	365.404	ZVQUNGPFMFGFHP-OAHLLOKOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089750
Cc1ccnc(OC2CN(Cc3ccnn3C2)C(=O)CS(=O)(=O)C)n1	EMOLS-id_50007224	365.407	WSAARXHPHKCSPU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089751
Cc1ccnc(O[C@@H]2CN(C(=O)CS(=O)(=O)C)Cc3ccnn3C2)n1	ZINC22_253480424	365.407	WSAARXHPHKCSPU-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089752
Cc1ccnc(O[C@H]2CN(C(=O)CS(=O)(=O)C)Cc3ccnn3C2)n1	ZINC22_253480425	365.407	WSAARXHPHKCSPU-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-089753
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)c1cnn2c1OCCC2	EMOLS-id_110963165	365.407	QZNKMYYPCWWSDX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-089754
S(=O)(=O)(N1CCCn2nc(cc2C1)CNC(=O)c1ncccc1O)C	PC-id_70734791	365.407	OYCFERBBEQVZSG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089755
CC1CN(Cc2c(O1)c(cs2)C(C)C(F)(F)F)C(=O)OC(C)(C)C	PC-id_86668495	365.411	FMADOPCUPNSJOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089756
O=S(=O)(c1cc(F)ccc1OCC1CC1)N1CCCc2occc2C1	EMOLS-id_177208188,MCULE-9858588135,ZINC22_585083771	365.419	JLXBEGITGXTGEW-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-089757
c1(cn2c(C(=O)N(CCC2)CC)c1)S(=O)(=O)NCc1cccc(F)c1	MCULE-3688842406,PC-id_53182948,EMOLS-id_33087372	365.422	HDASQUVQNPWXCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089758
c1(C(=O)NCCS(=O)(=O)c2ccc(cc2)F)c2CCCCCc2[nH]n1	MCULE-4264441186,STOCK7S-45474,ZINC22_96223185,EMOLS-id_49245493,PC-id_75356667	365.422	ZZUHMGDYBGQHTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089759
CC1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C	PC-id_140762702	365.422	XSVVHDVMPHJGMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089760
CC(C)N1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(F)cc1	MCULE-3910924951,PC-id_53182967,EMOLS-id_33087772	365.422	YOEZMCMLPHYYPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089761
C[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C	SCHEMBL18353455	365.422	XSVVHDVMPHJGMV-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-089762
CCN1CCCn2c(C1=O)cc(c2)S(=O)(=O)Nc1cc(C)ccc1F	MCULE-8254151232,EMOLS-id_33087402,PC-id_53182955	365.422	IQKDAUFUQFRDQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089763
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(C)cc1F	PC-id_53182954,EMOLS-id_33087400,MCULE-3034788539	365.422	PZDKLSHFPBAODL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089764
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(C)c(F)c1	PC-id_53182932,MCULE-8262576942,EMOLS-id_33087312	365.422	WILRDOZNCWOPBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089765
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(F)c(C)c1	MCULE-3964566208,PC-id_53182953,EMOLS-id_33087396	365.422	MWQKVPIVCHZUJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089766
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cc(F)ccc1C	PC-id_53182945,MCULE-8006356423,EMOLS-id_33087358	365.422	HJHRCBNSDMWOFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089767
CCN(c1ccccc1F)S(=O)(=O)c1cc2C(=O)N(C)CCCn2c1	PC-id_53182896,MCULE-6460816934,EMOLS-id_33087108	365.422	BDCQUODMONLCTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089768
CNC(=O)CC1CN(Cc2cccn2C1)S(=O)(=O)c1ccccc1F	EMOLS-id_313813536	365.422	QHOZIPBUSBBXCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089769
CNC(=O)C[C@H]1CN(S(=O)(=O)c2ccccc2F)Cc2cccn2C1	ZINC22_585099151	365.422	QHOZIPBUSBBXCV-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089770
CNC(=O)C[C@@H]1CN(S(=O)(=O)c2ccccc2F)Cc2cccn2C1	ZINC22_585099152	365.422	QHOZIPBUSBBXCV-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089771
o1c2C(C(Oc3ccc([N+](=O)[O-])cc3)C#CCCCCc1c(c2)C)C(=C)C	PC-id_73074928	365.422	XMGHWABILQHKDP-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-089772
o1c2[C@@H]([C@@H](Oc3ccc([N+](=O)[O-])cc3)C#CCCCCc1c(c2)C)C(=C)C	PC-id_10021752	365.422	XMGHWABILQHKDP-RBBKRZOGSA-N	00000000100000110110000000000010000000000000000000000000	31-01-089773
o1c2[C@@H]([C@H](Oc3ccc([N+](=O)[O-])cc3)C#CCCCCc1c(c2)C)C(=C)C	PC-id_11726353	365.422	XMGHWABILQHKDP-IFMALSPDSA-N	00000000100000110110000000000010000000000000000000000000	31-01-089774
C[C@@H]1COC[C@@](CO)(CNC(=O)c2coc3c2N(C)C(=O)CCC3)N1C	PC-id_145910652,EMOLS-id_320307417,ZINC22_1875402996,MCULE-9700113697	365.424	OMAAWTQZYKLIPM-XIKOKIGWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089775
CCOC(=O)/C(=C/C(=O)OCC)/Sc1nc2c(s1)c(=O)cccc2	PC-id_102070248	365.424	ZMUGAWHBGTVBIX-XFXZXTDPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-089776
O1C(CCCC1)COCC(=O)N1CCCn2nc(cc2C1)CCC(=O)O	PC-id_56911128	365.424	RDJZAPIMFXMIJZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089777
OC(=O)CCc1nn2c(c1)CN(CCC2)C(=O)COC[C@@H]1CCCCO1	PC-id_95894453	365.424	RDJZAPIMFXMIJZ-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089778
OC(=O)CCc1nn2c(c1)CN(CCC2)C(=O)COC[C@H]1CCCCO1	PC-id_95894454	365.424	RDJZAPIMFXMIJZ-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-089779
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccccc1c1ccco1	MCULE-2027205986,PC-id_56919067,EMOLS-id_43184857,ZINC22_72412346	365.426	IBUADLCNWSEJEX-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-089780
Cc1ccc(o1)CN1CCc2c(CC1)oc(n2)C(=O)NCc1ccccc1	PC-id_134810638	365.426	ZKYWQQIQXXKICG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089781
C=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1noc2c1CCCCC2	ZINC22_1875383022	365.426	COOCDRHQQVZWHO-VQIMIIECSA-N	00000010100000100101000000001010000000000000000000000000	31-01-089782
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1oc2ccccc2c1C	EMOLS-id_313810478	365.426	RFUSJXFTWNIZKJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089783
CNC(=O)C[C@@H]1CN(C(=O)c2oc3ccccc3c2C)Cc2cccn2C1	ZINC22_585099173	365.426	RFUSJXFTWNIZKJ-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089784
CNC(=O)C[C@H]1CN(C(=O)c2oc3ccccc3c2C)Cc2cccn2C1	ZINC22_585099174	365.426	RFUSJXFTWNIZKJ-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089785
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1cc2c(cc1)OCC2	PC-id_90625664	365.427	SDORCNZHHCRWNO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-089786
C1CCc2nnc(n2CC1)C(=Cc1csc(n1)c1ccc(cc1)F)C#N	MCULE-3878221578,EMOLS-id_26221999,PC-id_86776060	365.427	OZEJDUYDNZCUQG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089787
CC(C)C[C@H]1C(=O)N[C@@H](Cc2cn([C@H](C(=O)N1)CC(C)C)nn2)C(=O)O	PC-id_134940631	365.427	NSTHIZMPHRFUAV-IHRRRGAJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089788
CC(=O)c1cc(ccc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625624	365.427	YHRUILPTJDFKRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089789
CC(=O)c1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625625	365.427	ZJJQENFELVECOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089790
CNC(=O)CNC(=O)c1nc(n2c1CN(CCC2)C(=O)OC(C)(C)C)C	PC-id_145538397	365.427	IQNFCAIUAHHHKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089791
N#C/C(=C/c1csc(n1)c1ccc(cc1)F)/c1nnc2n1CCCCC2	CoCoCo_4367080	365.427	OZEJDUYDNZCUQG-UVTDQMKNSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089792
N#C/C(=Cc1csc(n1)c1ccc(cc1)F)/c1nnc2n1CCCCC2	PC-id_17464279,CoCoCo_4367079	365.427	OZEJDUYDNZCUQG-GXDHUFHOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089793
s1c2c(CCCCC2)c(c1NC(=O)c1sc([N+](=O)[O-])cc1)C(=O)N	PC-id_4325179	365.427	DFBWJBLNQSNAAK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-089794
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(cc1)n1ccnc1	ZINC22_72423396,EMOLS-id_43067507,PC-id_56884612,MCULE-4257454363	365.429	KMBMXLRZUZULRB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089795
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1c[nH]nc1c1ccccc1	PC-id_56915129,MCULE-2511388730,EMOLS-id_43174560,ZINC22_72479041	365.429	UIXAFWZSTJHJAV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089796
c12CN(CCCn1nc(CNc1oc3c(cccc3)n1)c2)C(=O)C1CCC1	ZINC22_82091584,MCULE-7076007564,EMOLS-id_44425741,PC-id_70711152	365.429	UEKMEFPAYJBRTB-UHFFFAOYSA-N	00001000100000100101000001000010000000000000000000000000	31-01-089797
c12CN(CCCn1nc(C#N)c2)C(=O)CCC(=O)Nc1cccc(CC)c1	MCULE-2602715899,PC-id_50963844,ZINC22_55211680,EMOLS-id_32224822	365.429	VPFGDCOXCHWWGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089798
c12ncn(CCCC=C)c1c(=O)nc(N(C)Cc1cccc(C)c1)[nH]c2=O	EMOLS-id_24864157,ZINC22_23478262,CoCoCo_1528638,MCULE-5482589367,PC-id_31134209	365.429	CQNVLULKSKZSMR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-089799
c1(c(C)noc1C)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	EMOLS-id_68878626,PC-id_118764862,MCULE-4246078519,ZINC22_299767769	365.429	JYPHFZMDHDFWLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089800
c1(c(C)onc1c1ccccc1)C(=O)N1CCn2c(CC1)nnc2C(C)C	ZINC22_14975641,CoCoCo_1471098,MCULE-1670487664,ChEMBL-DNDi_CHEMBL60395182,PC-id_26331812,EMOLS-id_20635055	365.429	UBOPWESXGYOFEC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089801
c1(CN(C)C(=O)Nc2cccc(c2)c2cnco2)c2CCCCCc2[nH]n1	ZINC22_95526524,PC-id_72924440,EMOLS-id_48645792,MCULE-4785625098	365.429	PRDHJFSPHLBGJP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089802
c1(c[nH]nc1c1cccc(OC)c1)C(=O)NCc1c2CCCCCc2[nH]n1	ZINC22_91943236,PC-id_70774127,EMOLS-id_44740810,MCULE-1044649867	365.429	BRWMFANGMPKTMX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089803
c1(cnn(Cc2ccccc2)c1)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	EMOLS-id_50530255,PC-id_90648554,MCULE-4215049676	365.429	MJMWOOAKDYCJMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089804
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3cc(O)nc(C)n3)C2)n1	PC-id_136662029,EMOLS-id_55609533,MCULE-2194723940	365.429	POYBVHVWYXOXJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089805
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)cc(=O)n(c2ccccc2)[nH]1	EMOLS-id_49873678,PC-id_77082710,ZINC22_215289763,MCULE-1022533691	365.429	NNHIULKJQINGQN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089806
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)[nH]nc(c2ccccc2O)c1	ZINC22_92062306,MCULE-2302425124,PC-id_136264129,EMOLS-id_46096873	365.429	YCCLFGMANQUNQX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089807
c1(C(=O)NC(C)c2ccc3c(cc[nH]3)c2)cc2n(CCCN(C(=O)C)C2)n1	EMOLS-id_32437770,PC-id_50985083,MCULE-4199615872	365.429	MPEROUMEGUBKNZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-089808
c1(C(=O)N(C)Cc2ccno2)cc2n(CCCN(Cc3ccccc3)C2)n1	ZINC22_65407474,PC-id_50965731,MCULE-6827764324,EMOLS-id_32401468	365.429	TVVVYSKCPAMVIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089809
c1(C(=O)N(C)Cc2cc(on2)c2ccccc2)cc2n(CCCN(C)C2)n1	MCULE-3788981579,ZINC22_65509370,EMOLS-id_32432036,PC-id_50981962	365.429	YHTHISADNKYPDG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089810
CC1(Cc2c(CCO1)c(n[nH]2)C(=O)Nc1cn(nc1)Cc1ccccc1)C	PC-id_90036706,SCHEMBL15564338	365.429	VFFKDTIEEFHDFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089811
CC1(Cc2c(CCO1)[nH]nc2C(=O)Nc1cn(nc1)Cc1ccccc1)C	PC-id_90037758,SCHEMBL15565634	365.429	XEYYHIIUOPQQSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089812
Cc1ccc(cc1)c1occ(n1)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319606684	365.429	UGXLWTOWAAGCEF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089813
Cc1cccc(COC2CN(Cc3cccn3C2)C(=O)c2ccnn2C)n1	EMOLS-id_50007848	365.429	QXYOMRBFQDTCNL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089814
Cc1cccc(CO[C@H]2CN(C(=O)c3ccnn3C)Cc3cccn3C2)n1	ZINC22_248050513	365.429	QXYOMRBFQDTCNL-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089815
Cc1cccc(CO[C@@H]2CN(C(=O)c3ccnn3C)Cc3cccn3C2)n1	ZINC22_248050519	365.429	QXYOMRBFQDTCNL-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089816
Cc1cc(CN2Cc3cccn3C[C@@H](C(=O)NCc3cccnc3)C2)no1	ZINC22_247896217	365.429	HFNBKNURJMDEJC-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089817
Cc1cc(CN2Cc3cccn3C[C@H](C(=O)NCc3cccnc3)C2)no1	ZINC22_247896218	365.429	HFNBKNURJMDEJC-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089818
Cc1cc(CN2CC(Cn3cccc3C2)C(=O)NCc2cccnc2)no1	EMOLS-id_50020208	365.429	HFNBKNURJMDEJC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089819
Cc1cc(C(=O)N2Cc3cccn3C[C@H](CCNc3ccccn3)C2)no1	ZINC22_585095109	365.429	FZIHXPYALVOMSI-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089820
Cc1cc(C(=O)N2Cc3cccn3C[C@@H](CCNc3ccccn3)C2)no1	ZINC22_585095110	365.429	FZIHXPYALVOMSI-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089821
Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)c(C)o1	ZINC22_247840534	365.429	PRGWZNUXKGXOBJ-INIZCTEOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089822
Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CNc3ccccn3)C2)c(C)o1	ZINC22_247840546	365.429	PRGWZNUXKGXOBJ-MRXNPFEDSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089823
Cc1cc(C(=O)N2CC(CNc3ccccn3)Cn3nccc3C2)c(C)o1	EMOLS-id_50375231	365.429	PRGWZNUXKGXOBJ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-089824
Cc1c(c(no1)C)CN1CCc2ncc(n2CC1)C(=O)Nc1ccccc1	PC-id_134810667	365.429	MYQSHIPKHMBXJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089825
Cc1cc(no1)C(=O)N1CC(CCNc2ccccn2)Cn2cccc2C1	EMOLS-id_313838625	365.429	FZIHXPYALVOMSI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089826
Cc1c(NC(=O)c2n[nH]c3CCCCCc23)c(=O)n(c2ccccc2)n1C	MCULE-7995007636,EMOLS-id_335102814	365.429	SMOVMGCIOISYMF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089827
Cc1nc(cc(=O)[nH]1)CN1CCCn2c(cc(n2)[C@H](c2ccccc2)O)C1	PC-id_136849637	365.429	POYBVHVWYXOXJV-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089828
Cc1nc(cc(=O)[nH]1)CN1CCCn2c(cc(n2)[C@@H](c2ccccc2)O)C1	PC-id_136849638	365.429	POYBVHVWYXOXJV-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089829
Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCc1nnc2n1CCCCC2	ZINC22_48129575,MCULE-6729077813,EMOLS-id_33347735,PC-id_51114421	365.429	WTCHILZWDWWPTA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-089830
Cc1oc(c2ccccc2)nc1CC(=O)NCc1nnc2n1CCCCC2	ZINC22_67508443,EMOLS-id_55706476,MCULE-3422465231,PC-id_91795991	365.429	LJUBZLHXTRSADL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089831
CCc1onc(c1)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_257971579	365.429	LZGYVXAJMYSGSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089832
CC(C)(NC(=O)c1noc2c1CCCCC2)c1cn(c2ccccc2)nn1	EMOLS-id_101036284,ZINC22_155908082,MCULE-8120623874	365.429	OGMJECHHYTWWGM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089833
C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cnn(Cc3ccccc3)c1)C2	PC-id_100033130,ZINC22_219082310	365.429	MJMWOOAKDYCJMZ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089834
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cnn(Cc3ccccc3)c1)C2	ZINC22_219082242,PC-id_100033129	365.429	MJMWOOAKDYCJMZ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089835
CCn1nc(C)cc1C(=O)N1Cc2cccn2C[C@@H](Oc2cccnc2)C1	ZINC22_247820166	365.429	GBGBXIBUOKZOCO-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089836
CCn1nc(C)cc1C(=O)N1Cc2cccn2C[C@H](Oc2cccnc2)C1	ZINC22_247820168	365.429	GBGBXIBUOKZOCO-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089837
CCn1nc(C)cc1C(=O)N1CC(Cn2cccc2C1)Oc1cccnc1	EMOLS-id_50017970	365.429	GBGBXIBUOKZOCO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089838
CC(=O)N1CCCn2nc(C(=O)N[C@@H](C)c3ccc4[nH]ccc4c3)cc2C1	ZINC22_71776591,PC-id_95563734	365.429	MPEROUMEGUBKNZ-ZDUSSCGKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-089839
CC(=O)N1CCCn2nc(C(=O)N[C@H](C)c3ccc4[nH]ccc4c3)cc2C1	ZINC22_71776593,PC-id_95563735	365.429	MPEROUMEGUBKNZ-CYBMUJFWSA-N	00000000100000100101000001100010000000000000000000000000	31-01-089840
CC(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccco1	PC-id_26279086,CoCoCo_1206495,CoCoCo_1206496	365.429	PNXATMHRPXCAIE-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-089841
CNC(=O)C[C@@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cccn2C1	ZINC22_585099261	365.429	ZGSLXCDHKIARFU-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089842
CNC(=O)C[C@H]1CN(C(=O)c2nn(C)c3ccccc23)Cc2cccn2C1	ZINC22_585099262	365.429	ZGSLXCDHKIARFU-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089843
COc1cccc(CN2CCc3nn(Cc4ccccc4)c(=O)n3CC2)n1	PC-id_91922521,MCULE-3278267414,EMOLS-id_50585991	365.429	XJPYDWCLLWDZHC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089844
COc1ccc(CN2CCc3nnc(COc4ccccn4)n3CC2)cc1	EMOLS-id_46148057,ZINC22_96058880,PC-id_97381537	365.429	WRBZAOCDOJHVIB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-089845
COc1ncccc1CN1Cc2ccnn2C[C@@H](OCc2ccncc2)C1	ZINC22_306125741	365.429	DAKAULQRLTXESI-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-089846
COc1ncccc1CN1Cc2ccnn2C[C@H](OCc2ccncc2)C1	ZINC22_306125742	365.429	DAKAULQRLTXESI-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089847
COc1ncccc1CN1CC(Cn2nccc2C1)OCc1ccncc1	EMOLS-id_50015926	365.429	DAKAULQRLTXESI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089848
n12CCC(CCc1nn(CC1CC1)c2=O)NC(=O)c1cc2ccccc2[nH]1	EMOLS-id_50586869,PC-id_91910842,MCULE-9228718190	365.429	LPLMJTIAIBNGMN-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-089849
n12CCC(CCc1nn(CC1CC1)c2=O)NC(=O)c1ccc2cc[nH]c2c1	EMOLS-id_50586133,MCULE-8734717687,PC-id_91910848	365.429	CYZZNQJPDFCDDB-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-089850
n12CCCNCc1cc(CCC(=O)NCc1coc(c3ccccc3)n1)n2	EMOLS-id_43185485,MCULE-4548473378,ZINC22_72412503,PC-id_70788896	365.429	AWYJNSFJZSMDKL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089851
n12CCN(CCc1nn(CC1CC1)c2=O)C(=O)Cc1c2ccccc2[nH]c1	EMOLS-id_50585733,PC-id_91922443,MCULE-9600454856	365.429	JTCUHDFQMLTDKD-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-089852
n1c(CCC(=O)NCc2c3CCCCCc3[nH]n2)onc1c1ccccc1	EMOLS-id_222771293,ZINC22_670453162,MCULE-6826909460	365.429	WOLPALXPLQLRAU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089853
N#Cc1cccc(c1)C1(CCOCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319762615	365.429	YVAHXZSHBPKIIE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-089854
N#Cc1ccccc1CN1CCCn2c(C1)cc(n2)C(=O)N1CCOCC1	MCULE-2516320409,PC-id_50975126,EMOLS-id_32419176	365.429	UWDGVQFZRHUFAX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-089855
N#Cc1cccc(c1)N(C(=O)Cn1nc2n(c1=O)CCCCC2)C1CCC1	EMOLS-id_316674406	365.429	GAYVZCJNSVGTGW-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-089856
o1c(c(nc1c1ccccc1)CC(=O)NCc1nn2CCCNCc2c1)C	PC-id_70734624,MCULE-2593742320,EMOLS-id_44433979	365.429	PSRDZBQQLYWPDC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089857
o1c(C(=O)NCCc2n3CCN(CCc3nn2)Cc2ccccc2)ccc1	PC-id_28766724	365.429	LFAIFNOENMQWJR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089858
O=C(c1ccc2[nH]ccc2c1)N1CCCn2nnc(COCC3CC3)c2C1	PC-id_97519057,ZINC22_96258967,EMOLS-id_44369484	365.429	HBVVUXRVBMPDIW-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-089859
O=C(c1cocc1)NCCc1nnc2n1CCN(CC2)Cc1ccccc1	ChEMBL-DNDi_CHEMBL37383565,PC-id_29253614	365.429	BXVLVNALGZQGTM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-089860
O=C(c1n[nH]c2c1CCCCCC2)NCCc1noc(n1)c1ccccc1	EMOLS-id_49700753,MCULE-3370179777	365.429	LJEFHSATDMOUSP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089861
O=C(Cc1cnc(o1)C)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_319767858	365.429	ZTVCVNFDWCNBSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089862
O=C(CCc1ncc(c2ccccc2)o1)NCc1nnc2n1CCCCC2	MCULE-4137859320,PC-id_40138840,ZINC22_32902610,EMOLS-id_23969623,CoCoCo_4625786	365.429	OPFPANGMYBABDM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089863
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Cc1nnc(o1)c1ccccc1	EMOLS-id_316419945,MCULE-7023231338	365.429	HZJMKEZMVKFNLT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089864
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Nc1ccccc1c1ncco1	EMOLS-id_319771522	365.429	WVDWOGYJTXCXLR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089865
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)c1oc(c(n1)C)C	EMOLS-id_101961212	365.429	VMEDGSOPKXYVAX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089866
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)c1occ(n1)C)C	EMOLS-id_101969226	365.429	YQOIWRTWXNTYAJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089867
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(ccc1C)c1occ(n1)C	EMOLS-id_101959618	365.429	NKLQOQSLHADDBS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089868
O=C(N(Cc1n[nH]c2c1CCCCC2)C)C1=C/C(=C/2C(=O)C=CC=C2)/NN1	PC-id_72936552	365.429	ZYZHPUCKUYWZKX-JQIJEIRASA-N	00000011100011000101100000000010000000000000000000000000	31-01-089869
OC(=O)CCc1nn2CCCN(Cc2c1)Cc1cc(n2nccc2)ccc1	PC-id_56915285	365.429	CWWVRSVYEYZLMZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089870
OCc1cc2CN(CCCn2n1)S(=O)(=O)c1cccc2nsnc12	EMOLS-id_55691043,ZINC22_223203640,MCULE-9340236781,PC-id_91790743	365.431	QMFMYTYKISFEKA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-089871
O=C(CNC(=O)N(C)C)NCc1nn2c(c1)CN(CCC2)C(=O)N(C)C	PC-id_102602749	365.431	OODFUZNEYXAONC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-089872
S(c1n2CCCCCc2nn1)CC(=O)C1C(=[N+](C(=O)N(C1=O)C)C)N	PC-id_84942418	365.431	RZVODYYDTTVRKS-UHFFFAOYSA-O	00000000100011000101000000000010000000000000000000000000	31-01-089873
c12CN(CCCn1nc(CNc1ncnc3[nH]ccc13)c2)C(=O)C1CCC1	EMOLS-id_44436595,PC-id_70741880,MCULE-1324869047,ZINC22_82114592	365.432	MAYVMCBBFNEEAR-UHFFFAOYSA-N	00001000100000100101000001000010000000000000000000000000	31-01-089874
c12nnnn1CCCCC2C(=O)N(C)Cc1cnn(c2ccccc2C)c1	PC-id_118763229,EMOLS-id_68874908,MCULE-7332442226	365.432	GRPJSPSXCFZKDY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089875
COc1ncccc1CN1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50375243	365.432	HIRFCCJVLODCPM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089915
c1(C(C)NC(=O)c2cccc(c2)Cn2cccn2)nnc2CCNCCn12	MCULE-3204961980,PC-id_56723003,EMOLS-id_36466637	365.432	ZIROSPDKVQIDPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089876
c1(CN(C)C(=O)Nc2ccc(cc2)n2cncn2)c2CCCCCc2[nH]n1	ZINC22_95527475,PC-id_72927479,MCULE-7433065350,EMOLS-id_48646588	365.432	VMBODNYMFAULGP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089877
c1(CN(C)C(=O)Nc2cccc(c2)n2cnnc2)c2CCCCCc2[nH]n1	PC-id_118785415,ZINC22_299779898,MCULE-3212425225,EMOLS-id_68921031	365.432	PZWFDJMUFMEJRL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089878
c1(C(=O)NC2CC2)cc2n(CCCN(Cc3ccc4c(c3)nnn4C)C2)n1	EMOLS-id_32424088,PC-id_50977708,ZINC22_65490306,MCULE-2604297581	365.432	FGQCBOOGLUBJSO-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-089879
c1(C(=O)Nc2ccccc2)cc2n(CCCN(Cc3n(CC)ncn3)C2)n1	EMOLS-id_32420404,ZINC22_65464036,MCULE-5249052865,PC-id_50975779	365.432	AGXRKDXYLMAHLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089880
c1(C(=O)NCc2nncn2CCc2ccccc2)nnc2CCCCCn12	EMOLS-id_232870691,MCULE-6470553802,ZINC22_828219139	365.432	IUDWYYLVCIFMQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089881
c1(n(C)ncc1c1ccccc1)NC(=O)NCc1nnc2CCCCCn12	PC-id_72848251,MCULE-1622566529,ZINC22_96132913,EMOLS-id_49145499	365.432	FOSSKGVITLMSNU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089882
c1(NC(=O)C2CCCCn3nnnc23)c(C)c(nn1c1ccccc1)CC	PC-id_46997961,EMOLS-id_31623971,MCULE-3418195503	365.432	DJVKTRAEGMFJGH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089883
Cc1c2N(C[C@@H](CCn2nc1)NC(=O)c1n[nH]c(n1)Cc1ccccc1)C	SCHEMBL19880593,PC-id_134267334	365.432	NANLUOHPOODMRA-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089884
CC1(C)Cc2n[nH]cc2CN(C(=O)NCc2ccc(n3ccnc3)nc2)C1	MCULE-7530660043,ZINC22_852967541,EMOLS-id_313134914	365.432	FXJVTYQRPZRMGY-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-089885
Cc1ccccc1n1cc(CN(C)C(=O)[C@H]2CCCCn3nnnc23)cn1	ZINC22_299756879	365.432	GRPJSPSXCFZKDY-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089886
Cc1ccccc1n1cc(CN(C)C(=O)[C@@H]2CCCCn3nnnc23)cn1	ZINC22_299756882	365.432	GRPJSPSXCFZKDY-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089887
Cc1cccc(CCC(=O)N2CCCn3c(Cn4ccnc4)nnc3C2)n1	EMOLS-id_313730004,ZINC22_1565555039	365.432	OQZHFXRRUGTNBT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089888
Cc1ccnc(c1)n1nc(cc1NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101869239	365.432	YHRCFFWRJOJZNS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-089889
Cc1c(nc([nH]c1=O)c1cnc(cc1)NCc1nnc2n1CCCCC2)C	PC-id_137265003	365.432	MNKKVCCLYWMAHB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-089890
Cc1nnc([nH]1)c1ccc(NC(=O)CCc2cc3CNCCCn3n2)cc1	ZINC22_72417766,PC-id_70724070,MCULE-4876841033,EMOLS-id_43089779	365.432	UQMDHJMCRCATPW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089891
Cc1nnnn1c1ccc(CC(=O)NCc2n[nH]c3c2CCCCC3)cc1	EMOLS-id_222752170,ZINC22_670435037,MCULE-6720325172	365.432	VTHDVAYFYQJHDW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089892
Cc1nnnn1Cc1ccc(cc1)C(=O)NCc1n[nH]c2CCCCCc12	ZINC22_670454168,EMOLS-id_222772514,MCULE-9754288094	365.432	UKJOFQSWWYAKAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089893
CCc1ccc(cn1)C(=O)N1CCCn2cnc(Cn3nncc3C)c2C1	ZINC22_1565546256,EMOLS-id_313732572	365.432	WTXWMRVSRFZOHM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089894
CCc1cc(=O)[nH]c(n1)c1cnc(cc1)NCc1nnc2n1CCCCC2	PC-id_137265001	365.432	QKQUAQJWFKLFBC-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-089895
CCc1nn(c2ccccc2)c(NC(=O)[C@@H]2CCCCn3nnnc23)c1C	ZINC22_55386671,PC-id_52399000	365.432	DJVKTRAEGMFJGH-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089896
CCc1nn(c2ccccc2)c(NC(=O)[C@H]2CCCCn3nnnc23)c1C	ZINC22_55386676,PC-id_52399001	365.432	DJVKTRAEGMFJGH-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089897
CCC(C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1)n1cccn1	MCULE-1055645639,EMOLS-id_46064365,PC-id_72892049	365.432	PUHRZNMVIWZZIC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089898
CC(CC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1)n1cccn1	PC-id_70765983,MCULE-6213362994,EMOLS-id_44735664	365.432	QRZUMOMFCCVHRJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089899
CC[C@@H](C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1)n1cccn1	PC-id_97133533,ZINC22_91664282	365.432	PUHRZNMVIWZZIC-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089900
CC[C@H](C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1)n1cccn1	ZINC22_91664283,PC-id_97133534	365.432	PUHRZNMVIWZZIC-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089901
C[C@H](CC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1)n1cccn1	PC-id_97143512,ZINC22_91846534	365.432	QRZUMOMFCCVHRJ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089902
C[C@@H](CC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1)n1cccn1	ZINC22_91846530,PC-id_97143511	365.432	QRZUMOMFCCVHRJ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-089903
C[C@@H](NC(=O)c1cccc(Cn2cccn2)c1)c1nnc2n1CCNCC2	PC-id_95230826,ZINC22_67982847	365.432	ZIROSPDKVQIDPW-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089904
C[C@H](NC(=O)c1cccc(Cn2cccn2)c1)c1nnc2n1CCNCC2	ZINC22_67982844,PC-id_95230825	365.432	ZIROSPDKVQIDPW-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089905
CCn1nnc(c1)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_258199900,MCULE-4463229711	365.432	XAUQXOHPDFOQFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089906
CC(N(C(=O)C1CCn2c(CC1)nnc2)C)c1ccc(cc1)n1ncnc1	EMOLS-id_319790800	365.432	TWJXMWCFOHWXAR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-089907
Cn1cc2c(n1)CC[C@H](CN2C)NC(=O)c1nnc([nH]1)Cc1ccccc1	PC-id_134201686,SCHEMBL19805461	365.432	GVLSXGPJCVCLGE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-089908
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s1c2c(CCCCC2)c(c1NC(=O)C(CCCC)CC)C(=O)OCC	PC-id_4595530	365.53	MOUQLTFXVMKSNX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090162
s1c2c(CCCCC2)c(c1NC(=O)CCCCCC)C(=O)OC(C)C	PC-id_4122750	365.53	YKZZSDROCJZCEW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090163
s1c2c(CCCCC2)c(c1NC(=O)CCCCCC)C(=O)OCCC	PC-id_4153018	365.53	YAUVAJXMXFPUBC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090164
s1c2c(CCCCCC2)c(c1NC(=O)CCCCCCC)C(=O)OC	PC-id_4101122	365.53	GVHDIRCQXWEHKW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090165
s1c2c(CCCCCC2)c(c1NC(=O)C(CCCC)CC)C(=O)OC	PC-id_5215755	365.53	FVPANCGIQGFFMP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090166
s1c2c(CCCCCC2)c(c1NC(=O)CCCCCC)C(=O)OCC	PC-id_4687683	365.53	UHJRURJIMNWRBT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090167
OCC1(CCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2)C(C)C	EMOLS-id_101432115	365.533	UPJAOQZVNNKQML-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090168
s1c2CCCCCc2nc1NC(=O)CCCC(=O)N(CCC)CCC	PC-id_56549765	365.533	NTXKYCBXAULZJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090169
s1c2CCCCCc2nc1NC(=O)C(N1CC(OC(C1)C)C)C(C)C	PC-id_56147530	365.533	FSYOCYKJYIHTKJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090170
s1c2CCCCCCCCCCc2nc1NC(=O)CN1CCOCC1	PC-id_30376719	365.533	ZYOLYDBJKLNMPI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090171
CC(CN1CCN(CC1)C)CNC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98021120	365.537	HNUPDVMKMMYSFT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090172
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C[C@@H](SC1=NCCS1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25960305,ZINC22_14141622,CoCoCo_4170280	365.537	OKPMKFVBKPFZDB-SNVBAGLBSA-N	00000011100000000101000000000010000000000000000000000000	31-01-090174
CN1CCN(CC1)CCC(NC(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_100070331	365.537	CWADJSFRMRBSKP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090175
CN1CCN(CC1)CC(NC(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_101098625	365.537	OEMIZASPPOSEQC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090176
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s1c2CCCCCCc2c(c1NC(=O)CSC1=NCCS1)C#N	PC-id_19727709	365.537	UXTXZILUFSOCHZ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-090181
CC(C)CCOC(C)(C)C1CCCCCc2c1nnn2C(C)(C)CCO	PC-id_90261493,SCHEMBL15850341	365.553	LCXLPFQUOMZQBY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090182
s1c2CCCCCc2cc1C(=O)NNC(=S)NC1C(CCCC1)C	PC-id_84822969	365.556	AKPQOUDPGJXVKG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090183
s1c2CCCCCc2cc1C(=O)NNC(=S)N[C@H]1[C@@H](CCCC1)C	PC-id_8726820	365.556	AKPQOUDPGJXVKG-TZMCWYRMSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090184
s1c2CCCCCc2cc1C(=O)NNC(=S)N[C@H]1[C@H](CCCC1)C	PC-id_8726823	365.556	AKPQOUDPGJXVKG-GXTWGEPZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090185
s1c2CCCCCc2cc1C(=O)NNC(=S)N[C@@H]1[C@@H](CCCC1)C	PC-id_8726825	365.556	AKPQOUDPGJXVKG-OCCSQVGLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090186
s1c2CCCCCc2cc1C(=O)NNC(=S)N[C@@H]1[C@H](CCCC1)C	PC-id_8726829	365.556	AKPQOUDPGJXVKG-JSGCOSHPSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090187
CCCCCCCCCCCCN1CCc2c(CC1)cc(s2)C(=O)O	PC-id_13072050,SCHEMBL11180672	365.573	CNTTWRXKYRNCEN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090188
s1c2c(CCCCC2)cc1C(=O)N(CCCN(C)C)CCCN(C)C	PC-id_78802801	365.576	LHWJNFQKMXXPKT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090189
ClC(=O)CCCNC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F	PC-id_19523661	365.778	BOIBGRXUNOFOGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090190
Clc1c(C(=O)N2CCCn3nc(cc3C2)CCC(=O)O)ccc(F)c1	MCULE-9911837657,EMOLS-id_43169990,PC-id_56913552	365.787	OQFUVSVJXDENII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090191
CN(C(=O)c1coc2c1C(=O)NCC(C)(C)C2)c1cnc(Cl)c(F)c1	ZINC22_1875313087	365.787	WSVLUZQBFQQBJZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-090192
COc1ccc(Cl)cc1C(=O)N1CCCn2nc(cc2C1)C(O)CO	MCULE-9525488322,PC-id_90650801,EMOLS-id_50538571	365.811	QXTCCTUVIWBZQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090193
COc1ccc(Cl)cc1C(=O)N1CCCn2nc([C@@H](O)CO)cc2C1	PC-id_100062799,ZINC22_220663403	365.811	QXTCCTUVIWBZQH-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090194
COc1ccc(Cl)cc1C(=O)N1CCCn2nc([C@H](O)CO)cc2C1	PC-id_100062801,ZINC22_220663468	365.811	QXTCCTUVIWBZQH-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090195
Clc1cc(NC(=O)c2sc3CCCCCc3c2)c(OC)cc1OC	PC-id_18275032	365.874	QUEYOYSXUXKXFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090216
c12CN(CCCn1nc(CNC(=O)CCc1onc(Cl)c1)c2)C(=O)C	ZINC22_82107104,EMOLS-id_44432831,MCULE-9630386381,PC-id_70731312	365.815	HIEMYJZAOLMXPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090196
c1(C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)c(Cl)c(n(C)n1)C	MCULE-2413362535,ZINC22_91664666,EMOLS-id_46064701,PC-id_72892528	365.815	ACPRGKFSFUHMHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090197
c1(C(=O)N(C)C)cn2c(CCN(C(=O)CCc3onc(Cl)c3)CC2)n1	EMOLS-id_331125551,MCULE-7698325158,ZINC22_1875246134	365.815	ZNSDGACLFZIRFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090198
c12CN(CCCn1nc(CNC(=O)CCc1[nH]nc(Cl)n1)c2)C(=O)C	PC-id_70718591,MCULE-2389971266,EMOLS-id_44428315,ZINC22_82097071	365.818	XLBPESUJEMDURZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090199
C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_670455854	365.83	MQQQRHMHKBGDDG-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090200
C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_670455855	365.83	MQQQRHMHKBGDDG-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-090201
CC(Oc1ccc(F)cc1Cl)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-5461121345,EMOLS-id_222774644	365.83	MQQQRHMHKBGDDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090202
Clc1cc(C(=O)N2CCc3c(sc(c3)C(=O)O)CC2)c(OC)cc1	PC-id_13072052,SCHEMBL11177200	365.831	LPFLKFSBIRYTTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090203
Clc1cc(C(=O)N2CCCc3sc(cc3C2)C(=O)O)c(OC)cc1	SCHEMBL11170590,PC-id_20481350	365.831	LTHMQLNJMURPRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090204
Clc1c(C(=O)Nc2sc3CCCCCCc3n2)ccc([N+](=O)[O-])c1	PC-id_60571722	365.835	BQRIBYLYNAOXEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090205
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1ncc(Cl)cn1	EMOLS-id_313793842,ZINC22_1565554199	365.838	LZDNUVFOVQCKTB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-090206
Cc1cccc(Cl)c1OCCN1CCCn2nc(cc2C1)C(O)CO	EMOLS-id_55653428,PC-id_91777799,MCULE-1073013501	365.854	FKEZECVGEBMCKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090207
Cc1ccc(Cl)c(OCCN2CCCn3nc(cc3C2)C(O)CO)c1	MCULE-6822734040,EMOLS-id_55660151,PC-id_91780094	365.854	LZKOUDAVMHQPHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090208
OC[C@@H](c1cc2n(n1)CCCN(C2)CCOc1c(C)cccc1Cl)O	PC-id_99974770	365.854	FKEZECVGEBMCKM-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090209
OC[C@H](c1cc2n(n1)CCCN(C2)CCOc1c(C)cccc1Cl)O	PC-id_99974771	365.854	FKEZECVGEBMCKM-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090210
OC[C@@H](c1nn2c(c1)CN(CCC2)CCOc1cc(C)ccc1Cl)O	PC-id_99976890	365.854	LZKOUDAVMHQPHE-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090211
OC[C@H](c1nn2c(c1)CN(CCC2)CCOc1cc(C)ccc1Cl)O	PC-id_99976893	365.854	LZKOUDAVMHQPHE-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090212
c1(csc2CCCCCc12)C(=O)Nc1c(OC)cc(c(Cl)c1)OC	PC-id_20881829,MCULE-2228130421,CoCoCo_2171514,EMOLS-id_16062747	365.874	CFLIHZHVKXMLGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090213
CC(OC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(s1)Cl)C	PC-id_20484126,SCHEMBL11206579	365.874	BALXFQLPCLJBLM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-090214
CC(OC(=O)C1CCCCn2c1cc(c2)C(=O)c1scc(c1)Cl)C	PC-id_20484211,SCHEMBL11197903	365.874	MRZYVXUEJNHKGA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-090215
Clc1c(OC)cc(NC(=O)c2sc3CCCCCc3c2)c(OC)c1	PC-id_9162759	365.874	VMCHNGGNORNOMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090217
c1(NC(=O)Nc2c(OC)ccc(Cl)c2)sc2c(CCCCCC2)n1	PC-id_46350008,MCULE-5863366108,EMOLS-id_30172557	365.878	GMQHIZTWCIQAGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090218
Clc1ccc(cc1)C(CNC(=O)Nc1nc2c(s1)CCCCC2)O	PC-id_112825071	365.878	DLCPKIZANIQTJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090219
Clc1cc(C[NH2+]Cc2n3CCCCCc3nn2)cc(OC)c1OCC	PC-id_51923164	365.878	MATXXUYANJNZTJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-090220
ClC(S(=O)(=O)c1ccccc1)C(=C)n1nnc2c1CCCCCC2	PC-id_11494337	365.878	PSEJCLWAEVXNBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090221
COc1cc(Cl)c(cc1OC)C[N@@H+]1CCn2c(CC1)nnc2C(C)C	GD-id_ZINC12203218	365.878	TTZCDADWEHORBQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-090222
c12C(CCCCn1nnn2)C(=O)NCCSCc1cccc(Cl)c1	EMOLS-id_49670074,PC-id_74245383,MCULE-9862166072,SCHEMBL20936183	365.881	YCNLOBJNDIXNRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090223
Clc1cnn(c1)C1CCN(C1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_99531618	365.881	GPXUDCAOSMVDNH-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-090224
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O=C(NCCSCc1cccc(Cl)c1)[C@H]1CCCCn2nnnc12	ZINC22_97711735,PC-id_97935997	365.881	YCNLOBJNDIXNRL-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090226
c1(CN2CCCn3c(cc(n3)C(CC)O)C2)nc([nH]c1Cl)CCCC	MCULE-8432460168,PC-id_90652407,EMOLS-id_50544499	365.901	XNIGLLZSCFMUFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090227
CCCCc1nc(Cl)c(CN2CCCn3nc([C@@H](O)CC)cc3C2)[nH]1	PC-id_100066818,ZINC22_221301363	365.901	XNIGLLZSCFMUFN-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090228
CCCCc1nc(Cl)c(CN2CCCn3nc([C@H](O)CC)cc3C2)[nH]1	ZINC22_221301316,PC-id_100066817	365.901	XNIGLLZSCFMUFN-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090229
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[B](C1CCNCC1)c1nc2=CC=C[AlH]C=c2n1I	PC-id_164132677	366.022	WFUWFHMMQWALHT-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-090231
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COC1=CC=CC(=C1)CN(CC2=NN=C3N2CCOCC3)S(=O)(=O)C	PC-id_154787137,MCULE-2891906540,EMOLS-id_317773251	366.136	WWICGSYPKWMNLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090237
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CC1=CC=C(C=C1)CS(=O)(=O)C2=CC(=C3C2=C(C=CC(=C3)C(C)C)C)C	PC-id_148437851	366.165	LYSPBNQMPFTLTI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-090239
CC(C1CC1)N(C2CC2)C(=O)CS(=O)(=O)C3=NN=C4N3CCCCC4	MCULE-4304952225,PC-id_154736869,EMOLS-id_317281976	366.173	FFPSYFUXCZEZKB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-090240
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CCOC(=O)C1=CC2=C(N1CC3=CC=CC=C3)C(=O)C(=CN(C)C)CCC2	PC-id_154499330	366.194	AAOLSZRFGNKWBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090242
Clc1cc(Cl)c2n(c1)cc(n2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102177857	366.205	PHFQLLUNMOPMIJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090243
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Brc1cc2-c(c(cc2C(=O)OCC)C(=O)OCC)ccc1N	PC-id_86217655	366.207	QXYGFAILQQJOSB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090245
Brc1ccc2-c(c(c(N)c2C(=O)OCC)C(=O)OCC)cc1	PC-id_619044	366.207	FFJDTLVBBHOFJN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090246
Brc1cc(oc1)C(=O)c1n2c(C(CCCC2)C(=O)O)cc1C	SCHEMBL11198587,PC-id_20484175	366.207	KRSOXGZAWDYFAN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-090247
Brc1oc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2C)cc1	SCHEMBL11196864,PC-id_20484260	366.207	ZXDYAFCENGRGEW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-090248
Cn1cc(Br)cc(NC(=O)c2noc3c2CCCCC3)c1=O	PC-id_99701676,MCULE-5277823618,EMOLS-id_50354197,ZINC22_155788750	366.21	GHPIOGPDJMWNLQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090249
O=C(c1noc2c1CCCCC2)Nc1cc(Br)c(=O)n(c1)C	EMOLS-id_111423963	366.21	QDQWYMHHHOKTNB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090250
CC1(CC2=C(C1)C(=CC=C2)CCC(=C)NC3=NC4=C(S3)CCCCC4)C	PC-id_153359552	366.213	AOGTWZFXTODJSY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090251
Cc1nc(O)c(NC(=O)[C@@H]2CNCc3nccn3C2)cc1Br	ZINC22_1875294959	366.213	ZCIVNZOLBNKGPC-SECBINFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090252
Cc1nc(O)c(NC(=O)[C@H]2CNCc3nccn3C2)cc1Br	ZINC22_1875294960	366.213	ZCIVNZOLBNKGPC-VIFPVBQESA-N	00000000100000101101000000000010000000000000000000000000	31-01-090253
Cn1nc2CCC(CCn2c1=O)NC(=O)c1cncc(Br)c1	PC-id_91910831,MCULE-5981396038,EMOLS-id_50586099	366.213	LHVAITWHZHZGRO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090254
O=C(C1CCn2c(CC1)nnc2)Nc1cc(Br)c(=O)n(c1)C	EMOLS-id_319978266,MCULE-7889043422	366.213	DXQIMNABWBFTIF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090255
O=C(c1[nH]nc(c1Br)C1CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102162691	366.216	LQUUBPDMYUNUFA-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-090256
O=C(Nc1cc(Br)cnc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102024205	366.216	MTMHDJMJJWDRJG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090257
Brc1ccc(c(c1)F)NC(=O)Cn1cc2c(n1)CCCCC2	PC-id_20892442,MCULE-6160510688,EMOLS-id_16087223,CoCoCo_2192271	366.228	VRXHAZSTDRYIIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090259
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccccc1Br	PC-id_90625346	366.233	CZOHXTORRWEZGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090260
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(ccc1)Br	PC-id_90625347	366.233	WUKJOCCQOKFAFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090261
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(cc1)Br	PC-id_90625348	366.233	DRHFQDYWOWUPFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090262
Ic1ccc(Cn2cc3C(N)CCCCc3c2)cc1	PC-id_83208324	366.24	ACCUPCJAURVZCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090263
BrCCN(C(=O)c1cc2c(s1)CCCCC2)CC(F)F	PC-id_107491746	366.265	OKPYLFUUGMALQJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090264
Brc1cc2CN(CCCc2s1)C(=O)OCc1ccccc1	EMOLS-id_331222637	366.273	SHBPDTIVOXJWTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090265
Brc1cc2N(CCCCc2s1)C(=O)OCc1ccccc1	EMOLS-id_331221613	366.273	ZJZWYBZHGOAXLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090266
Brc1ccc(cc1)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_5791911,CoCoCo_5791914	366.276	RHWZQPJPIBRYFM-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090267
Brc1ccc(cc1)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_5791912,CoCoCo_5791913	366.276	RHWZQPJPIBRYFM-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090268
Brc1ccc(cc1)C(=O)CSc1nnc2CCCCCn12	EMOLS-id_15729815,CoCoCo_5791910,MCULE-1627446295,ZINC22_6098343,PC-id_7877528	366.276	VDFMGYFGMRXXCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090269
Brc1cc(C(=O)CSc2n3CCCCCc3nn2)ccc1	PC-id_7877603	366.276	UMQVXSJPHVHLSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090270
Brc1cc(c(Sc2n3CCCCCc3nn2)cc1)C(=O)C	PC-id_82955962	366.276	FJCQDTBYHDGGID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090271
Brc1c(C(=O)CSc2n3CCCCCc3nn2)cccc1	PC-id_43413551	366.276	LKSAPVFQGACSTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090272
Brc1cc(Sc2n3CCCCCc3nn2)c(cc1)C(=O)C	PC-id_82955963	366.276	PVEBJZQDRNZUNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090273
Brc1c(NC(=O)c2sc3CCCCCc3c2)ncc(N)c1	PC-id_65712217	366.276	VMAITLCWVSUFLD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-090274
Brc1c(Sc2n3CCCCCc3nn2)ccc(c1)C(=O)C	PC-id_62910608	366.276	RMVGMYTZPJTOII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090275
CC(=O)c1ccc(cc1Br)Sc1nnc2n1CCCCC2	PC-id_108330440	366.276	DZRZDSXGYUDHGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090276
O=C(c1ccncc1Br)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111511721	366.276	WXLAMBVNDZFXRE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090277
O=C(c1ncccc1Br)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111457384	366.276	PNYYEMIBRNBYDM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090278
O=C(CSc1nc2n(n1)CCCCC2)c1ccc(Br)cc1	PC-id_4186297,CoCoCo_5900353,ZINC22_629321,CoCoCo_5900352	366.276	DDCMHGAWXSASMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090279
Brc1ccc(c(c1)C(=N)N)Sc1nnc2n1CCCCC2	PC-id_114893605	366.279	MIYLILMSCGUNRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090280
Brc1ccc(c(c1)Sc1nnc2n1CCCCC2)C(=N)N	PC-id_114905160	366.279	IVBAARXTWZSFSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090281
Brc1cc(nc(n1)C1CC1)Sc1nnc2n1CCCCC2	PC-id_116482901	366.279	WYZFNEJHMPOBRW-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-090282
Brc1c(Sc2n3CCCCCc3nn2)ccc(c1)C(=N)N	PC-id_82788518	366.279	PCYHPXRRMIKQDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090283
NC(=N)c1c(Br)cccc1Sc1nnc2n1CCCCC2	PC-id_114884368	366.279	TYPQBVAJYAFPHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090284
NC(=N)c1ccc(cc1Br)Sc1nnc2n1CCCCC2	PC-id_107279921	366.279	ZIBHRNYLJXCIRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090285
Ic1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2	PC-id_71725370	366.28	QOPHBNZXMXSALL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090286
Ic1cc2-c(ccc(CCCCCCCC)cc2)c1	PC-id_11268589	366.28	ZXWLYPQRWNXUAV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090287
Ic1cc(c2-c1cccc(c2)C(C)(C)C)C(C)(C)C	PC-id_102103595	366.28	NXYLQAVFGGOYPZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090288
Cn1ncc2c1CCCN(C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1)C2	ZINC22_1117997823	366.285	PHSMTVBLRIUQRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090289
Cc1cc(C)c2-c(c(c1)C)c(cc2C(C(F)(F)F)O)C(C(F)(F)F)O	PC-id_102231522	366.298	HHCRNUODSXWGIO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090290
Brc1cc(C(N)c2sc3c(CCCCC3)c2)ccc1OC	PC-id_43464585	366.316	PEKLIWCPELOZDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090291
Brc1cc(C(N)c2sc3c(CCCCC3)c2)c(OC)cc1	PC-id_43464600	366.316	FMFZGFLJOLETSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090292
Brc1c(cc(OC2CCN(Cc3c2scc3)C)cc1C)C	PC-id_68411838	366.316	NSXDGCFDCUVUAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090293
Brc1c(C(N)c2sc3c(CCCCC3)c2)ccc(OC)c1	PC-id_60786287	366.316	XPDQPXLSVCRTJF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090294
BrCC(CSc1n2CCCCCc2nn1)c1ccccc1	PC-id_65016123	366.319	GVFUNVXVRKZXNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090295
NNC(c1cc2c(s1)CCCCC2)Cc1ccc(cn1)Br	PC-id_105334467	366.319	XJJXSLVEEUSFLK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-090296
NNC(c1cc2c(s1)CCCCC2)Cc1cncc(c1)Br	PC-id_105334673	366.319	CHSFNOWUQKETIU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-090297
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1n(ncc1C#N)C	PC-id_19523833	366.341	DJBMQQAFPHCFMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090298
O=C(N1CCc2c1cccc2C(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102167122	366.341	DSEYADTVQMMYGS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090299
O=C(NC1CCc2c1c(F)c(c(c2)F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102182943	366.341	IHASSVKWHLRXBY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090300
[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCCn2c(C1)cc(n2)C(=O)O	PC-id_58465742,SCHEMBL2519991	366.349	PZNPBUUZCOFCOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090301
O=C(c1cncc2c1[nH]c(n2)C(F)(F)F)N1CCCc2c(C1)ccs2	EMOLS-id_316566798	366.361	MODACEZXFNVZDU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090302
NC(=O)C(c1ccc(cc1F)Br)N1CCCc2c(C1)cco2	EMOLS-id_99343126	367.213	SAXDLMXMHQBRAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091017
FC(F)Oc1c(OC)cc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266266	366.363	NVBOHKZCVBLOQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090303
c1(cn(c2c1C(=O)CCNC2=O)C(=O)OC(C)(C)C)C(=O)OCCOC	MCULE-1142381420	366.366	XANBUUSSOFPYDO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090304
c1(c[nH]c2c1C(=O)CCN(C(=O)OC(C)(C)C)C2=O)C(=O)OCCOC	MCULE-1841832469	366.366	MTLWCFKSPBFOON-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090305
C1C(Cn2c(cc(n2)C(=O)NCc2ccc(o2)c2ccccc2)C(=O)N1)O	PC-id_135099624	366.371	WHTKHPONANAEAG-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-090306
OC(=O)c1ccn(n1)c1ccccc1NC(=O)c1noc2c1CCCCC2	PC-id_120519921	366.371	LOMHRUGNMHLBLY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090307
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1cncnc1)[N+](=O)[O-]	PC-id_89580476,SCHEMBL14966198	366.374	JIACVFZTXAANFT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090308
c1(cnn(c2ccccn2)c1C)C(=O)N1CCCn2c(cc(n2)C(=O)O)C1	EMOLS-id_32416570,MCULE-1220603195,PC-id_50973740,ZINC22_65456156	366.374	CYYJQQCBTKQNEC-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-090309
c1(cnnn1c1ccccc1)C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	ZINC22_65383346,EMOLS-id_32381222,PC-id_50955020,MCULE-1121857285	366.374	IWKXDDWGTSEEBP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090310
c1(C(=O)N)cn2c(CCN(CC2)C(=O)c2cc([nH]n2)c2ccc(cc2)O)n1	EMOLS-id_331099670,ZINC22_1875243508,MCULE-4627474253	366.374	JRLQRXPAOKGSES-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090311
c1(C(=O)OC)cc2n(CCCN(C(=O)c3ccc(cc3)c3[nH]ncn3)C2)n1	EMOLS-id_32373050,ZINC22_67473540,PC-id_50950772,MCULE-7470183182	366.374	JLPGECGPVMASSS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090312
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2cncnc2)C1	PC-id_137653951	366.374	ZEVONNSSLYQBAD-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090313
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ncncc2)C1	PC-id_137636857	366.374	GFCZKGIWCOJQBA-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090314
Cc1noc2c1CCC(C(=O)N2)NC(=O)c1n[nH]c(n1)Cc1ccccc1	SCHEMBL19037350,PC-id_137213119	366.374	KLVKMHDGSQXXTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090315
COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccccc1n1cncn1)C2	EMOLS-id_32435852,PC-id_50984009,MCULE-5393839275,ZINC22_65529563	366.374	REUARIQKLBXQNU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090316
c1(C(=O)NC)cn2c(CCN(CC2)C(=O)c2ccc(cc2)n2cnnn2)n1	EMOLS-id_331149114,MCULE-9117555622,ZINC22_1875251112	366.377	XDYBOPBXGKFGHB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090317
c1(C(=O)N)cn2c(CCN(CC2)C(=O)c2ccc(cc2)Cn2cnnn2)n1	EMOLS-id_331128626,MCULE-6012306738,ZINC22_1875250408	366.377	WORHBODIKHXDQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090318
Cn1cnc(C(=O)N2Cc3ncnn3C[C@H](C(=O)Nc3ccccc3)C2)n1	ZINC22_1565545899	366.377	NXEVEJNHGQFTBK-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090319
Cn1cnc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)Nc3ccccc3)C2)n1	ZINC22_1614928411	366.377	NXEVEJNHGQFTBK-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090320
Cn1cnc(C(=O)N2CCCn3cnc(C(=O)Nc4cccnc4)c3C2)n1	EMOLS-id_313787450,ZINC22_1565549443	366.377	RGKCOKLDPSXBGL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090321
Brc1c(C(O)c2sc3c(CCCCC3)c2)ccc(OC)c1	PC-id_63426822	367.301	SZXAATWJVQGDSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091061
Cn1cnc(n1)C(=O)N1CC(Cn2ncnc2C1)C(=O)Nc1ccccc1	EMOLS-id_313721303	366.377	NXEVEJNHGQFTBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090322
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1ncn(n1)Cc1ccccn1	SCHEMBL18367245	366.377	GORJTXDDLBDNMB-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090323
O=C1Nc2c(NC[C@@H]1NC(=O)c1nnc([nH]1)Cc1ccccc1)ncn2C	SCHEMBL19037406	366.377	QSXXKOSWXQBOJA-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-090324
c1(C(=O)NC(C)c2ccccc2C(F)(F)F)cc2n(CCCN(C)C2)n1	PC-id_50956804,EMOLS-id_32384576,MCULE-3189354219	366.381	CXTJNDYUUYYISY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090325
C[C@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1ccccc1C(F)(F)F	PC-id_95123713,ZINC22_65386443	366.381	CXTJNDYUUYYISY-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090326
C[C@@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1ccccc1C(F)(F)F	ZINC22_65386444,PC-id_95123714	366.381	CXTJNDYUUYYISY-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090327
FC(F)(F)c1ccc(CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55535459	366.381	COVRCEJBSXEWPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090328
FC(F)(F)c1cc(CC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_51307454	366.381	PBJDWLDPXJNOBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090329
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1cc(F)ncc1F	EMOLS-id_313791538,ZINC22_1565555291	366.386	WIOAOSBOLMDAHF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090330
Fc1ccc(cc1)C(=O)N1CCc2c(CC1)nc(o2)COc1ccccc1	PC-id_56941484,SCHEMBL158393	366.386	DMEKKZJXTACLOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090331
Fc1ccc(cc1)C(=O)N1CCCc2c(C1)oc(n2)COc1ccccc1	PC-id_66612445,SCHEMBL170543	366.386	IYFRLCULTFKZPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090332
Fc1ccc(C(=O)N2CCCc3oc(nc3C2)COc2ccccc2)cc1	PC-id_56941775	366.386	KARXFMZHLHPVTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090333
Cc1cncc(c1)C(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_55751159	366.389	ALFQCCDGQWFBCI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090334
Cc1cncc(C(=O)N2Cc3cccn3C[C@H](Oc3ncccc3F)C2)c1	ZINC22_575402676	366.389	ALFQCCDGQWFBCI-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090335
Cc1cncc(C(=O)N2Cc3cccn3C[C@@H](Oc3ncccc3F)C2)c1	ZINC22_575402679	366.389	ALFQCCDGQWFBCI-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090336
Fc1ccc(cc1)C(=O)N1CCCn2c(C1)cc(n2)OCc1ccncc1	SCHEMBL16309394,PC-id_117751819	366.389	WWLDIXJTHWKPLB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-090337
Fc1cccnc1OC1CN(Cc2cccn2C1)C(=O)Cc1ccccn1	EMOLS-id_50008358	366.389	CVWPOPWIZMTIIB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090338
O=C(Cc1ccccn1)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1	ZINC22_247808592	366.389	CVWPOPWIZMTIIB-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090339
O=C(Cc1ccccn1)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1	ZINC22_247808597	366.389	CVWPOPWIZMTIIB-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090340
CC(C)(C)C1C(CN1C(=O)[O-])CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965742,PC-id_89580140	366.392	PTLIBEFZXFYJBR-UHFFFAOYSA-M	00001000100000000101000000000010000000000000000000000000	31-01-090341
Fc1cccc(c1)C(=O)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50371839	366.392	QTWAMNFKXPGHJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090342
O=C(c1cccc(F)c1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_247945781	366.392	QTWAMNFKXPGHJU-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090343
O=C(c1cccc(F)c1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_247945783	366.392	QTWAMNFKXPGHJU-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090344
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1cnn2c1OCCC2	EMOLS-id_110992586	366.392	XDGJSLIZZYFODP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-090345
O=C(O)c1cc(S(=O)(=O)NCc2nnc3n2CCCCC3)ccc1O	PC-id_45440071,MCULE-5998818766,EMOLS-id_45733041,ZINC22_13198390	366.392	JWWBUPLEQVHSKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090346
P(CCC1n2c(noc2=O)CCCC1)(c1ccccc1)c1ccccc1	PC-id_72647669	366.393	DAEWVECBVQVFHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090347
P(CC[C@@H]1n2c(noc2=O)CCCC1)(c1ccccc1)c1ccccc1	PC-id_60100636	366.393	DAEWVECBVQVFHP-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090348
C1CCc2c(CC1)sc(c2C#N)N=C1c2c(ccc(c2)[N+](=O)[O-])NC1=O	CoCoCo_3762768,PC-id_135464430,CoCoCo_3762769	366.394	PXCOKSYVKANAIA-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-090349
Cn1c2c(CCCC(=CN(C)C)C2=O)c(n1)C(=O)N(CCOC)CP	PC-id_89902210	366.395	DAUUTUOXLWRVFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090350
COCCN(C(=O)c1nn(c2c1CCC/C(=CN(C)C)/C2=O)C)CP	SCHEMBL15385526	366.395	DAUUTUOXLWRVFR-ZRDIBKRKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090351
N#Cc1ccc(O[C@H]2CN(C(=O)c3cscn3)Cc3ccnn3C2)nc1	ZINC22_306125942	366.397	DGOMUPVZZJACEN-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090352
N#Cc1ccc(O[C@@H]2CN(C(=O)c3cscn3)Cc3ccnn3C2)nc1	ZINC22_306125943	366.397	DGOMUPVZZJACEN-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090353
O=C(N1CC(Cn2nccc2C1)Oc1ccc(cn1)C#N)c1cscn1	EMOLS-id_50019360	366.397	DGOMUPVZZJACEN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090354
COc1cc(CNC(c2nnc3n2CCCCC3)C)ccc1OC(F)F	PC-id_47021950,MCULE-8024968079	366.406	HLFTYVLLRVRTBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090355
COc1cc(CN[C@@H](C)c2nnc3n2CCCCC3)ccc1OC(F)F	PC-id_52195995,ZINC22_43926465	366.406	HLFTYVLLRVRTBH-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090356
COc1cc(CN[C@H](C)c2nnc3n2CCCCC3)ccc1OC(F)F	ZINC22_43926468,PC-id_52195997	366.406	HLFTYVLLRVRTBH-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090357
FC1(F)CC(C1)C(=O)N1CCc2ncc(CNC(=O)CC3CC3)n2CC1	EMOLS-id_313779401,ZINC22_585110671	366.406	ZUXPTYHBURFQCT-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-090358
FC1(F)CC(C1)C(=O)N1CCCn2cnc(C(=O)NC3CCCC3)c2C1	ZINC22_1565556043,EMOLS-id_313789500	366.406	VQVDEWDMXLZPAB-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-090359
Fc1ccc(cc1)CC1CCCCc2c1n(nc2C(=O)O)S(=O)(=O)C	SCHEMBL4213055,PC-id_68958131	366.407	BUVHHBDBJWXDQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090360
c1(C(=O)NCCS(=O)(=O)c2ccc(cc2)F)cn2c(CCNCC2)n1	ZINC22_1857727538,EMOLS-id_330445364,MCULE-8296698303	366.41	SKPQTYZFAOWTCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090361
CC(C(N1C(=O)c2c(C1=O)cccc2)C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99420937	366.41	GGWWNGSWBLCAFC-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-090362
CC(=O)N1CCCn2nc(CNS(=O)(=O)c3ccccc3F)cc2C1	MCULE-6839146136,PC-id_70775692,ZINC22_82147759,EMOLS-id_44448283	366.41	JZRKEWMDRLAPMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090363
CC(=O)Nc1cc(ccc1F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948505	366.41	YYVDLPCVXAOABN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090364
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3cccc(F)c3)cc2C1	MCULE-4182811364,PC-id_70711541,EMOLS-id_44425885,ZINC22_82091766	366.41	WIYMXVTUYDQKMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090365
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccc(F)cc3)cc2C1	PC-id_70772841,MCULE-5565320360,ZINC22_82145752,EMOLS-id_44447251	366.41	GWVIILCHPUFNQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090366
Fc1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)NS(=O)(=O)C	EMOLS-id_101846449	366.41	SJHLSKKEWCSQIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090367
Fc1ccc(cc1NS(=O)(=O)C)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_317982275	366.41	COUCGOMGZYLRME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090368
Fc1ccccc1S(=O)(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-2068870288,EMOLS-id_239628877	366.41	ZSGMKTAWVRRHFJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-090369
O(c1c2-c(c(/N=N/c3ccc(C(=O)c4ccccc4)cc3)c1)ccccc2)C	PC-id_10808892	366.412	CAFAPHSHMOCOJL-OCEACIFDSA-N	00000010100000110110000000000010000000000000000000000000	31-01-090370
O=C(c1cc(c2-c1ccccc2)C(=O)Nc1ccccc1)Nc1ccccc1	PC-id_101456055	366.412	PXYAFHDZMWEIEA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-090371
s1c2c(CCCCC2)c(c1NC(=O)c1[n+]([nH]oc1=O)C)C(=O)OCC	PC-id_53290555	366.412	XTZFUFVFHXCRMJ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-090372
s1c2c(CCCCCC2)c(c1NC(=O)c1[n+]([nH]oc1=O)C)C(=O)OC	PC-id_53290415	366.412	HSMSMSPZJGXRMT-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-090373
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Cc1c2ccccc2[nH]c1	EMOLS-id_43132319,ZINC22_72434897,PC-id_56900766,MCULE-8677622819	366.414	DNNQLYPTGIBWFH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-090374
c12CN(CCCn1nc(CNC(=O)c1cccc3cc(C)oc13)c2)C(=O)C	PC-id_70776267,EMOLS-id_44448471,MCULE-7538182488,ZINC22_82148097	366.414	NCXYEKHWRUFXNF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090375
c1(c2ccccc2n(C)c1)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	PC-id_56882862,ZINC22_72433622,MCULE-4634818446	366.414	RNMCGROARLKSOH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-090376
c1(C(=Cc2ccc(c(OC)c2)OC(=O)CC)C#N)nnc2CCCCCn12	EMOLS-id_26162691,PC-id_3456689,MCULE-5428258495	366.414	KAXOOPMGKFQHHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090377
c1(C(=Cc2ccc(c(OCC)c2)OC(=O)C)C#N)nnc2CCCCCn12	PC-id_3692124,MCULE-7915601642	366.414	YGYXTECQFBXWMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090378
c1(c(CC)ocn1)C(=O)N1CCCn2c(cc(n2)C(O)c2ccccc2)C1	EMOLS-id_55674891,PC-id_91785191,MCULE-2879985370	366.414	LKZRYBKTDHOHIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090379
C1CN(CCc2c1nc(o2)C(=O)N1CCOCC1)Cc1ccc(cc1)C#N	PC-id_134809269	366.414	WSRXRWSIXDESHR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090380
c1(C(=O)NC2CC2)cc2n(CCCN(C2)C(=O)c2ccccc2C(=O)C)n1	MCULE-8798515727,EMOLS-id_32405176,ZINC22_65417621,PC-id_50967689	366.414	YNOQRSXFRVLBIP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-090381
c1(NC(=O)c2c3CCCCCc3on2)c(C)n(n(c2ccccc2)c1=O)C	TIMTEC384355,PC-id_17254373,EMOLS-id_21980675,ZINC22_20293792,MCULE-4070951889	366.414	POKSCAVVCKEYPU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090382
Cc1ccc2c(c1)C(=O)N(C2=O)C(C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101680016	366.414	HXESPKLDCPMXMO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090383
Cc1c(c(no1)C)CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccccc1	PC-id_134805186	366.414	LXEJDFKXPVPEBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090384
C/C=C/1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)/C=C/C(=O)O	PC-id_143188717	366.414	FWDICDRCHQOKQV-XGRDOQPCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090385
CCc1ocnc1C(=O)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1	PC-id_100118449,ZINC22_222620471	366.414	LKZRYBKTDHOHIK-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-090386
CCc1ocnc1C(=O)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1	PC-id_100118458,ZINC22_222620538	366.414	LKZRYBKTDHOHIK-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090387
CCC(=O)Oc1ccc(cc1OC)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_66557339,CoCoCo_3720151	366.414	KAXOOPMGKFQHHU-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090388
CCC(=O)Oc1ccc(/C=C(C#N)/c2nnc3CCCCCn23)cc1OC	SPECS-id_AT-225/NB58529,PC-id_5831818,EMOLS-id_207240209,CoCoCo_3720150	366.414	KAXOOPMGKFQHHU-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090389
CCOc1cc(ccc1OC(=O)C)/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_5896278,CoCoCo_1737674	366.414	YGYXTECQFBXWMS-LFIBNONCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090390
CCOc1cc(/C=C(/C#N)c2nnc3CCCCCn23)ccc1OC(=O)C	CoCoCo_1737673,EMOLS-id_26489838,PC-id_40468457	366.414	YGYXTECQFBXWMS-WJDWOHSUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090391
CNC(=O)Cn1ccc2c1cc(cc2)NC(=O)c1noc2c1CCCCC2	PC-id_145878187,EMOLS-id_316871507,MCULE-6873211658	366.414	CNFKHUFPVNQAMD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-090392
COc1ccc(c2ccc(C(=O)NCc3cc4n(n3)CCCNC4)o2)cc1	PC-id_70734664,ZINC22_82108079,MCULE-2048639569,EMOLS-id_44434001	366.414	ASFXJLGNYQDZRW-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-090393
o1c(C(=O)NCc2n3CCCCCc3nn2)ccc1COc1ccccc1	PC-id_51266311	366.414	YCYTXMNSCYKLBQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-090394
Oc1cccc(c1)c1onc(c1)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	MCULE-3953558899,EMOLS-id_316440341	366.414	QAVVXOGSMTWWNJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090395
O(c1c(cc(/C=C/2c3nc([nH]c3C=CN(C2=O)C)N(C)C=O)cc1C)C)C	PC-id_49836957	366.414	XFKOCIFKYOKGRS-XNTDXEJSSA-N	00000000100000110111000000000010000000000000000000000000	31-01-090396
O(c1c(cc(C=C2c3nc([nH]c3C=CN(C2=O)C)N(C)C=O)cc1C)C)C	PC-id_75300198	366.414	XFKOCIFKYOKGRS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-090397
O=C(Nc1ccccc1)c1cnn2c1CN(C(=O)[C@@H]1[C@H]3COC[C@@H]13)CCC2	EMOLS-id_313765325,ZINC22_1565552738	366.414	VGNLFJOGOCLQPK-VQFNDLOPSA-N	00100010100000110101010000000010000000000000000000000000	31-01-090398
OC(=O)C1(Cc2c(C1)cccc2)CCCCn1c2c(nc1)NC=NCC2=O	PC-id_10546864	366.414	YIMOOKUHKRHIDR-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-090399
OC(=O)C1(Cc2c(C1)cccc2)CCCCn1c2NC=NCC(=O)c2nc1	PC-id_10785119	366.414	PVELDWGCLOQBGJ-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-090400
Brc1cnn(c1C(=O)c1cc2c(s1)CCCCC2)C(C)C	PC-id_115805353	367.304	UATLUHIHLSRURH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091062
c12CN(CCCn1nc(CNC(=O)C(C)NC(=O)OC)c2)C(=O)N(C)C	PC-id_70715919,MCULE-7348264760,EMOLS-id_44427421	366.415	SSXPCUGRSHELJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090401
COC(=O)N[C@@H](C)C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2	PC-id_96572677,ZINC22_82096447	366.415	SSXPCUGRSHELJS-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-090402
COC(=O)N[C@H](C)C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2	PC-id_96572678,ZINC22_82096448	366.415	SSXPCUGRSHELJS-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090403
c12CN(CCCn1nc(CNC(=O)c1cccc(c1)C#N)c2)C(=O)N(C)C	ZINC22_82119979,MCULE-6687410656,PC-id_70746114,EMOLS-id_44438061	366.417	XXCXWVIBTCZHCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090404
c12CN(CCCn1nc(CNC(=O)Cc1c3ccccc3[nH]n1)c2)C(=O)C	EMOLS-id_68889209,PC-id_118769770,MCULE-9551032333,ZINC22_299758369	366.417	MAOMCWIEUQROHN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090405
c1(c2ccccc2n(C)n1)C(=O)N1CCn2c(nn(CC3CC3)c2=O)CC1	MCULE-5254464133,PC-id_91910674	366.417	DTPFWZFTYCYLCX-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-090406
c1(c(CC)noc1C)C(=O)N1CCn2c(CC1)nnc2Cc1cccnc1	MCULE-3009663279,PC-id_74232737,ZINC22_97301417,EMOLS-id_49644332	366.417	FZCUIMAVMVYSQQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090407
C1CN(CCn2c1nnc2CCc1ccccc1)Cc1c([nH]nc1)C(=O)O	PC-id_135112616	366.417	YQYQAOCFAQSWSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090408
c1(C(=O)N2CCCn3c(cc(n3)C(CC)O)C2)cn(nn1)c1ccccc1	PC-id_91778107,EMOLS-id_55654314,MCULE-1517217595	366.417	HJNGZUPKTIASQA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090409
c1(C(=O)Nc2ccc(cc2)c2[nH]nc(COC)n2)c2CCCCCc2n[nH]1	EMOLS-id_49249816,MCULE-8024004626,PC-id_75490693,EMOLS-id_50403102,ZINC22_96232528,STOCK7S-47711	366.417	OEHYUBXHUJWIQS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090410
c1(C(=O)Nc2cccc(c2)c2[nH]nc(COC)n2)c2CCCCCc2n[nH]1	STOCK7S-47115,MCULE-1683580789,PC-id_75490179,ZINC22_96231855,EMOLS-id_50403842,EMOLS-id_49248666	366.417	NMYIBGXGPISCCC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090411
c1(C(=O)Nc2n[nH]c(Cc3ccc(cc3)OC)n2)c2CCCCCc2n[nH]1	PC-id_91638780,EMOLS-id_54882108,STOCK7S-48080,EMOLS-id_50227373,MCULE-9159295270	366.417	SJDSNVLIKPIRDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090412
c1(C(=O)NCc2c[nH]nc2c2ccc(cc2)OC)nnc2CCCCCn12	EMOLS-id_55632578,PC-id_91772918,MCULE-9114279477,ZINC22_219728516	366.417	ZOETZOBTFCCHSE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090413
c1(C(=O)NCc2cnn(c3ccccc3OC)c2)cc2n(CCCNC2)n1	MCULE-5025987264,PC-id_50982847,ZINC22_65526805,EMOLS-id_32433718	366.417	WKZZOXJZYNTCAI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090414
c1(C(=O)NCc2nnc3CCCCCn23)[nH]nc(c2cccc(OC)c2)c1	EMOLS-id_44715814,ZINC22_91586009,MCULE-7568037040,PC-id_70734617	366.417	JLFXFEHEDYWXLN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090415
c1(C(=O)N(C)Cc2onc(c3ccccn3)c2)cc2n(CCCN(C)C2)n1	PC-id_50968038,EMOLS-id_32405830,MCULE-5399819182,ZINC22_65419606	366.417	VKAFIYOWLORGFT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-090416
c1(C(=O)NCCc2onc(Cc3ccccc3)n2)cn2c(CCNCC2)n1	MCULE-3417857109,ZINC22_1857736510,EMOLS-id_330477121	366.417	JVPRVDVHBCTBLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090417
c1(C(=O)N)cn2c(CCN(Cc3nccn3c3ccc(cc3)OC)CC2)n1	ZINC22_2100537979,MCULE-4119204938,EMOLS-id_337645020	366.417	ZWYSWAGMYPZIBN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090418
c1(C(=O)N)c[nH]c2ccc(cc12)NC(=O)CCc1cc2n(CCCNC2)n1	MCULE-2977778995,EMOLS-id_43166702,PC-id_70775338,ZINC22_72476083	366.417	GORXBKODFNEDEQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-090419
Cc1ccc(CN2Cc3ccnn3C[C@@H](CNC(=O)c3cnccn3)C2)o1	ZINC22_306135631	366.417	OWHCPCBKTWRYGM-HNNXBMFYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090420
Cc1ccc(CN2Cc3ccnn3C[C@H](CNC(=O)c3cnccn3)C2)o1	ZINC22_306135632	366.417	OWHCPCBKTWRYGM-OAHLLOKOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090421
Cc1ccc(CN2CC(CNC(=O)c3cnccn3)Cn3nccc3C2)o1	EMOLS-id_50372225	366.417	OWHCPCBKTWRYGM-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090422
Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)c(C)o1	ZINC22_306142253	366.417	WURNXYLJKUKDBO-HNNXBMFYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090423
Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CNc3ncccn3)C2)c(C)o1	ZINC22_306142254	366.417	WURNXYLJKUKDBO-OAHLLOKOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090424
Cc1cc(C(=O)N2CC(CNc3ncccn3)Cn3nccc3C2)c(C)o1	EMOLS-id_55740999	366.417	WURNXYLJKUKDBO-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090425
Cc1ccn(CC(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)n1	EMOLS-id_50585941,PC-id_91922560,MCULE-1510496146	366.417	RXDJEBWAJPRZBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090426
Cc1cc(nn1C)C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	MCULE-7005607813,PC-id_91922515,EMOLS-id_50590107	366.417	GZWWUEOWEROFPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090427
Cc1ccoc1C(=O)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_253480655	366.417	YBELUNVLAPCKRH-HNNXBMFYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090428
Cc1ccoc1C(=O)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_253480656	366.417	YBELUNVLAPCKRH-OAHLLOKOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090429
Cc1ccoc1C(=O)N1CC(CCNc2ncccn2)Cn2nccc2C1	EMOLS-id_50376743	366.417	YBELUNVLAPCKRH-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090430
Cc1cn(nc1)CC(=O)N1CCc2nn(c(=O)n2CC1)Cc1ccccc1	PC-id_91922562	366.417	CHEBARUSZAKOEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090431
Cc1nccn1CC(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	EMOLS-id_97099412,MCULE-1347104602	366.417	LCFIRGWVPQYQJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090432
Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_252014364	366.417	UTTOYOQLBGFTNP-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090433
Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_252014366	366.417	UTTOYOQLBGFTNP-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090434
Cc1noc(C)c1C(=O)N1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_50373235	366.417	UTTOYOQLBGFTNP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090435
Cc1occc1C(=O)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_248058328	366.417	ZKIDNTKCUKCTHX-HNNXBMFYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090436
Cc1occc1C(=O)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_248058332	366.417	ZKIDNTKCUKCTHX-OAHLLOKOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090437
Cc1occc1C(=O)N1CC(CCNc2ncccn2)Cn2nccc2C1	EMOLS-id_50372315	366.417	ZKIDNTKCUKCTHX-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090438
CCC(c1nn2CCCN(Cc2c1)C(=O)c1ccccc1c1ncn[nH]1)O	PC-id_91770915	366.417	AQQPUANHQNSTCR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090439
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccccc1c1ncn[nH]1)O	PC-id_100041178	366.417	AQQPUANHQNSTCR-QGZVFWFLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090440
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccccc1c1ncn[nH]1)O	PC-id_100041180	366.417	AQQPUANHQNSTCR-KRWDZBQOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090441
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cn(c3ccccc3)nn1)C2	PC-id_100057141,ZINC22_220356011	366.417	HJNGZUPKTIASQA-GOSISDBHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090442
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cn(c3ccccc3)nn1)C2	PC-id_100057143,ZINC22_220356077	366.417	HJNGZUPKTIASQA-SFHVURJKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090443
CCn1nc(C)cc1C(=O)N1Cc2cccn2C[C@H](Oc2ncccn2)C1	ZINC22_306126966	366.417	FKLFOCNILMFPPM-INIZCTEOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-090444
CCn1nc(C)cc1C(=O)N1Cc2cccn2C[C@@H](Oc2ncccn2)C1	ZINC22_306126967	366.417	FKLFOCNILMFPPM-MRXNPFEDSA-N	00000000100000100101000000000010000000000000000000000000	31-01-090445
CCn1nc(C)cc1C(=O)N1CC(Cn2cccc2C1)Oc1ncccn1	EMOLS-id_50375959	366.417	FKLFOCNILMFPPM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-090446
Cn1c(CNC(=O)[C@H]2CNCc3nccn3C2)cc(=O)n1c1ccccc1	ZINC22_2325795974	366.417	JAQHLEIVFAQOEU-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090447
Cn1c(CNC(=O)[C@@H]2CNCc3nccn3C2)cc(=O)n1c1ccccc1	ZINC22_2325795975	366.417	JAQHLEIVFAQOEU-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090448
COc1ccc(cc1)n1ccc(n1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319053268	366.417	ZXAILXSUTDYZQH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090449
COc1ccccc1n1cc(cn1)C(=O)NCc1nnc2CCCCCn12	PC-id_70740865,MCULE-4266730026,ZINC22_91625516,EMOLS-id_44719782	366.417	SHMKAOKWLKYANB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090450
COc1ccc(C(=O)N2CCCn3c(Cn4ccnc4)nnc3C2)c(C)c1	EMOLS-id_313731796,ZINC22_1565554630	366.417	WCKBHKMYDMMQCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090451
COCc1ccc(cc1)C(=O)N1CCCn2c(Cn3ccnc3)nnc2C1	EMOLS-id_313731284,ZINC22_1565556089	366.417	MRJCAOCXKFCNQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090452
n12CCC(CCc1nn(CC1CC1)c2=O)NC(=O)c1c2ccccc2[nH]n1	MCULE-5720568531,PC-id_91910843,EMOLS-id_50586125	366.417	SVDCXOATSKBNND-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-090453
n12CCC(CCc1nn(CC1CC1)c2=O)NC(=O)c1ccc2[nH]cnc2c1	PC-id_91910851,EMOLS-id_50586141,MCULE-3341139901	366.417	HGMWAUSRHYHQSU-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-090454
n12CCC(CCc1n[nH]c2=O)C(=O)N(C)Cc1cnn(c2ccccc2)c1	EMOLS-id_207876593,MCULE-8609516201	366.417	RZNKSMUPDHDDHO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090455
n12CCCNCc1cc(CCC(=O)Nc1cccc(c1)C1=NNC(=O)C1)n2	PC-id_70740210,EMOLS-id_43118993,ZINC22_102431621,MCULE-9656496954	366.417	OLDWLFNUGCREIK-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-090456
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)c1cc(nn1C)C	PC-id_91922517,MCULE-8562626915,EMOLS-id_50590109	366.417	XBAPRROATKGHQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090457
CCCn1ncc(c1C(=O)c1cc2c(s1)CCCCC2)Br	PC-id_115804648	367.304	ANZRLJNKWRCIRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091063
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)CCn1cccn1	EMOLS-id_50585937,MCULE-4687531332,PC-id_91922558	366.417	SLOVOQUJNFBBNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090458
N#Cc1nccnc1N1CCN(C(C1)C)C(=O)c1noc2c1CCCCC2	EMOLS-id_111880024	366.417	ODPOAEXVANTCAW-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-090459
o1nc(C(=O)N2CCn3c(nnc3Cc3cccnc3)CC2)cc1C(C)C	MCULE-4025815288,EMOLS-id_44430547,PC-id_70724879	366.417	GFYLEMUESMMWTB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090460
O=c1[nH]cc(n1C)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	MCULE-5316823621,EMOLS-id_319921520	366.417	GMAPWBHGZMQGOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090461
O=C(c1cc(ccc1O)n1ccnc1)NCCc1nnc2n1CCCCC2	MCULE-2603928045,EMOLS-id_320331643	366.417	NHXLJQXCLWQSHR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090462
O=C(C1CCCCc2n1c(=O)[nH]n2)N(Cc1cnn(c1)c1ccccc1)C	EMOLS-id_207869295,MCULE-4395567055	366.417	FVEWSPBTYFQHJS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090463
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)OCc1nccn1C	MCULE-8374234740,EMOLS-id_319941981	366.417	DGDBYIRSAXOQNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090464
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1OCCn1ccnc1	EMOLS-id_278121078	366.417	ZTBKIZVJKGKNAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090465
O(CC1NNC(C1)C(=O)N1CCCn2nc(cc2C1)C#N)c1ccccc1	PC-id_76400529	366.417	DLTIWUORNYPJMS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090466
O=C(Cc1ccco1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_247804980	366.417	AFJDHMNJEOQXRK-HNNXBMFYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090467
O=C(Cc1ccco1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_247804983	366.417	AFJDHMNJEOQXRK-OAHLLOKOSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090468
O=C(Cc1ccco1)N1CC(CCNc2ncccn2)Cn2nccc2C1	EMOLS-id_50372575	366.417	AFJDHMNJEOQXRK-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-090469
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cccc(c1)c1nccn1C	PC-id_86820880	366.417	FJIKXIQOHCFKDW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090470
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccnn1Cc1ccccc1	PC-id_138996041,MCULE-5316216064,EMOLS-id_320286962,ZINC22_363082159	366.417	YDOXESIHVQVUSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090471
O=C(Cn1nc2n(c1=O)CCCCC2)NCc1ccc(cc1)n1ccnc1	PC-id_86849871	366.417	AUPHZUGVNUBONH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090472
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Nc1ccc(cc1)n1ccc(=O)[nH]1	EMOLS-id_279110681	366.417	RQNQSBPEWCDOEH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090473
O=C(N1CCCn2nc(cc2C1)C)Cn1nc(n(c1=O)c1ccccc1)C	PC-id_70706086	366.417	UVFRCYNSDNEYRJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090474
O=C(Nc1ccccc1c1ncco1)NCCc1nnc2n1CCCCC2	EMOLS-id_257967220	366.417	NQHAGNDEBVURAF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090475
O=C(Nc1ccc(Cn2ccnc2)cc1)N1CCCn2nc(CO)cc2C1	ZINC22_2325775846	366.417	BBGOCLNRQXHQTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090476
O=C(NCc1n2CCCCCc2nn1)c1nn(cc1OC)c1ccccc1	PC-id_51266347	366.417	POULWMLZUNIUPN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090477
O=C(NCc1n2CCCCCc2nn1)CCc1oc(nn1)c1ccccc1	PC-id_51266369	366.417	JXSVVYNIIAOXMR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090478
O=C(NCc1n2CCCCCc2nn1)CCc1onc(n1)c1ccccc1	PC-id_51266362	366.417	ZOVPWVGSUGABLQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090479
O=C(NCCc1noc(n1)c1ccncc1)c1n[nH]c2CCCCCCc12	EMOLS-id_49700663,PC-id_91917708	366.417	SIIYNOMDPGGWIC-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-090480
Cn1nc2CCN(CCn2c1=O)S(=O)(=O)c1cccc2nsnc12	EMOLS-id_239629112,MCULE-4424896626	366.419	DQHUXNTVATYPRI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090481
c12C(CCCCn1nnn2)C(=O)NCc1nncn1CCc1ccccc1	MCULE-1389852241,PC-id_118779138,EMOLS-id_68908561	366.42	BHHJAORWPVRCKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090482
c12CN(CCCn1nc(CNc1ncnc3[nH]cnc13)c2)C(=O)C1CCC1	EMOLS-id_44452537,PC-id_70787900,MCULE-2262300662,ZINC22_82170739	366.42	FSZVBMHVOAMNGP-UHFFFAOYSA-N	00001000100000100101000001000010000000000000000000000000	31-01-090483
c12nnnn1CCCCC2C(=O)NC1CCN(CC1)c1ncccc1C#N	MCULE-7809714229,PC-id_118777529,EMOLS-id_68905240	366.42	YXAKOHCRGHZXGK-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-090484
c1(cn(nn1)CCN)C(=O)N1CCn2c(CC1)nnc2Cc1ccccc1	EMOLS-id_43583247,PC-id_70751593,ZINC22_77437331,MCULE-7027193023	366.42	DJUSCOPAKFPNDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090485
c1(C(=O)NC(C)c2[nH]nnn2)cc2n(CCCN(Cc3ccccc3)C2)n1	MCULE-1253952878,EMOLS-id_32408932,PC-id_50969681	366.42	XQUYUMKAFHRJQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090486
c1(NC(=O)NCc2nnc3CCCCCn23)n(C)nc(c2ccccn2)c1	PC-id_72842890,MCULE-5607300619,EMOLS-id_49143592,ZINC22_96131716	366.42	SERJDIWVKYCTFE-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-090487
Cc1ccc(c2nnn[nH]2)cc1NC(=O)CCc1cc2n(n1)CCCNC2	EMOLS-id_43176211,MCULE-9695563491,ZINC22_72479638,PC-id_70782868	366.42	AOWGHSANGFMVEM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090488
Cc1ccc(cc1NC(=O)CCc1cc2CNCCCn2n1)n1cnnn1	MCULE-5468706094,PC-id_70710067,EMOLS-id_43064550,ZINC22_72419278	366.42	CPEQFAGRYCAZQX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090489
CCc1ccc(cn1)C(=O)N1CCCn2nnc(Cn3nncc3C)c2C1	EMOLS-id_313731289,ZINC22_1565554739	366.42	FFRAAGOSJORTAT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090490
C[C@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2)c1nnn[nH]1	PC-id_95207104,ZINC22_67741259	366.42	XQUYUMKAFHRJQK-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090491
C[C@@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2)c1nnn[nH]1	ZINC22_67741260,PC-id_95207105	366.42	XQUYUMKAFHRJQK-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090492
n12CCCNCc1cc(CCC(=O)NCc1cccnc1n1cncn1)n2	PC-id_70709526,ZINC22_72411658,EMOLS-id_43063686,MCULE-7165428622	366.42	MFTNXJVFPOWGLZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-090493
n1(c2ccccc2)nnnc1CNC(=O)CCc1cc2n(CCCNC2)n1	ZINC22_72478780,MCULE-1022542144,PC-id_70781031,EMOLS-id_43173918	366.42	RRZKLKZXAGPFHY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090494
n1c(CCc2ccccc2)nn2CCN(C(=O)CCn3cnnn3)CCc12	MCULE-1813984333,EMOLS-id_337687757,ZINC22_2100534738	366.42	WLHHCGJJTHPFEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090495
N#Cc1ccccc1N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102159079	366.42	OWQYJJZOIIDRJY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090496
N#Cc1cccnc1N1CCC(NC(=O)[C@H]2CCCCn3nnnc23)CC1	ZINC22_299783490	366.42	YXAKOHCRGHZXGK-HNNXBMFYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-090497
N#Cc1cccnc1N1CCC(NC(=O)[C@@H]2CCCCn3nnnc23)CC1	ZINC22_299783495	366.42	YXAKOHCRGHZXGK-OAHLLOKOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-090498
O=C([C@@H](n1cnnn1)Cc1ccccc1)NCc1nn2c(c1)CNCCC2	PC-id_96573171	366.42	VIZLBGIHCVGDRJ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090499
O=C([C@H](n1cnnn1)Cc1ccccc1)NCc1nn2c(c1)CNCCC2	PC-id_96573172	366.42	VIZLBGIHCVGDRJ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090500
O=C([C@@H](n1nnnc1C)c1ccccc1)NCc1nn2c(c1)CNCCC2	PC-id_96571901	366.42	NARFXRKRSABYRD-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090501
O=C([C@H](n1nnnc1C)c1ccccc1)NCc1nn2c(c1)CNCCC2	PC-id_96571902	366.42	NARFXRKRSABYRD-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090502
O=C(NCc1nn2CCCNCc2c1)C(n1nnnc1C)c1ccccc1	PC-id_70709958	366.42	NARFXRKRSABYRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090503
O=C(NCc1nn2CCCNCc2c1)C(n1nnnc1)Cc1ccccc1	PC-id_70719756	366.42	VIZLBGIHCVGDRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090504
O=C(NCc1nnc2n1CCCCC2)NCc1ccnc(c1)n1cccn1	PC-id_86931468	366.42	KHOSFIWBAMBPSK-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-090505
O=C(NCc1nncn1CCc1ccccc1)[C@H]1CCCCn2nnnc12	ZINC22_299772968	366.42	BHHJAORWPVRCKG-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090506
O=C(NCc1nncn1CCc1ccccc1)[C@@H]1CCCCn2nnnc12	ZINC22_299772972	366.42	BHHJAORWPVRCKG-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090507
COCC(c1ccc(c(c1)F)F)NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318149582	366.425	NYABTWPZGMTLGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090508
S(c1n2CCCCCc2nn1)CC(=O)NC(c1c(F)cc(F)cc1)C	PC-id_78559228	366.429	ZXAAJMHWTKTOSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090509
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](c1c(F)cc(F)cc1)C	PC-id_7876856	366.429	ZXAAJMHWTKTOSL-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-090510
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](c1c(F)cc(F)cc1)C	PC-id_7876858	366.429	ZXAAJMHWTKTOSL-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090511
COC(=O)c1c(NC(=O)N2CCC(C2)C(=O)O)sc2c1CCCCC2	EMOLS-id_72871377,MCULE-3642618198,PC-id_122087757	366.432	CJEXTQNWNJLZPM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-090512
Fc1ccc(CN2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)cc1	PC-id_97381902,ZINC22_96059249	366.432	NJXSFNXQRGXNBL-SFHVURJKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-090513
Fc1ccc(CN2Cc3ccnn3C[C@H](COCc3ccccn3)C2)cc1	PC-id_97381903,ZINC22_96059250	366.432	NJXSFNXQRGXNBL-GOSISDBHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-090514
Fc1ccc(CN2CC(COCc3ccccn3)Cn3nccc3C2)cc1	EMOLS-id_46148599	366.432	NJXSFNXQRGXNBL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-090515
c1(NC(=O)C=Cc2ccc3c(OCO3)c2)sc2c(CCCCC2)c1C#N	PC-id_4467464,MCULE-9438253190	366.434	BDCJWGVDRMKJHM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090516
N#Cc1c(NC(=O)/C=Cc2ccc3c(c2)OCO3)sc2c1CCCCC2	CoCoCo_6826910	366.434	BDCJWGVDRMKJHM-CLFYSBASSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090517
N#Cc1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCCC2	PC-id_6117912,CoCoCo_6826909,EMOLS-id_46457174,ZINC22_6335093,TIMTEC71067	366.434	BDCJWGVDRMKJHM-VQHVLOKHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090518
O=C(c1ccco1)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_21467166,SCHEMBL6988520	366.434	GDIIQDRUTJVVDI-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-090519
s1c2CCCCCc2c(c1NC(=O)c1oc2c(c1)cccc2OC)C#N	PC-id_40888468	366.434	HXBMNTXHZIDSBR-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-090520
c1(cc(oc1C)C)C(=O)NCc1cc2n(CCCN(C2)S(=O)(=O)C)n1	EMOLS-id_44446159,ZINC22_82138597,PC-id_70769491,MCULE-2252090792	366.435	IMOZFAQHLAVZCY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-090521
Cc1cc(C(=O)N2Cc3cccn3C[C@@H](CCNS(=O)(=O)C)C2)no1	ZINC22_585095579	366.435	YYQOMTOBQWQLMX-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090522
Cc1cc(C(=O)N2Cc3cccn3C[C@H](CCNS(=O)(=O)C)C2)no1	ZINC22_585095580	366.435	YYQOMTOBQWQLMX-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090523
Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CNS(=O)(=O)C)C2)c(C)o1	ZINC22_306139074	366.435	SOSVHKKRSYSXOE-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-090524
Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CNS(=O)(=O)C)C2)c(C)o1	ZINC22_306139075	366.435	SOSVHKKRSYSXOE-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-090525
Cc1cc(C(=O)N2CC(CNS(=O)(=O)C)Cn3nccc3C2)c(C)o1	EMOLS-id_55746684	366.435	SOSVHKKRSYSXOE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-090526
Cc1cc(no1)C(=O)N1CC(CCNS(=O)(=O)C)Cn2cccc2C1	EMOLS-id_313836835	366.435	YYQOMTOBQWQLMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090527
Cc1ccoc1C(=O)N1Cc2ccnn2C[C@H](CCNS(=O)(=O)C)C1	ZINC22_253479045	366.435	OJCRRVYMCWGSGH-CYBMUJFWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-090528
Cc1ccoc1C(=O)N1Cc2ccnn2C[C@@H](CCNS(=O)(=O)C)C1	ZINC22_253479046	366.435	OJCRRVYMCWGSGH-ZDUSSCGKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-090529
Cc1ccoc1C(=O)N1CC(CCNS(=O)(=O)C)Cn2nccc2C1	EMOLS-id_50375873	366.435	OJCRRVYMCWGSGH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-090530
Cc1noc(C)c1CNC(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317415518,MCULE-6115456045	366.435	JPBPLAMQLOGOJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090531
Cc1noc(C)c1S(=O)(=O)N1CCCn2nc(cc2C1)C(O)C1CC1	PC-id_91790874,EMOLS-id_55691445,MCULE-3453621015	366.435	GJWUXHXNQHVWPI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-090532
Cc1noc(C)c1S(=O)(=O)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	PC-id_100212123,ZINC22_223216500	366.435	GJWUXHXNQHVWPI-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-090533
Cc1noc(C)c1S(=O)(=O)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_230551954	366.435	GJWUXHXNQHVWPI-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-090534
Cc1oc(c(c1)C(=O)N1CCCn2c(C1)c(nc2)CNS(=O)(=O)C)C	PC-id_97405493	366.435	MWXQWOORPIJDHS-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-090535
CC(C)Cn1cc(nc1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2	MCULE-3310984010,PC-id_91650356,EMOLS-id_50354377	366.435	DJYONUQHUPVUOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090536
CCOCCOc1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320006415,MCULE-4126907413	366.435	QDKBEBJQICSVTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090537
COCCOc1ccc(cc1C)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319279690	366.435	CIVSMJXPVOUBTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090538
Fc1ccccc1CN1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_306138473	366.435	RYLDFOTZBZEQGA-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090539
Fc1ccccc1CN1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_306138474	366.435	RYLDFOTZBZEQGA-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090540
Fc1ccccc1CN1CC(CCNc2ncccn2)Cn2nccc2C1	EMOLS-id_50371473	366.435	RYLDFOTZBZEQGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090541
Fc1ccc(Cn2ncc3CN(Cc23)Cc2nn3c(c2)CNCCC3)cc1	PC-id_56908838	366.435	GJBROJNGVSXKGA-UHFFFAOYSA-N	00000010100000110101000010000010000000000000000000000000	31-01-090542
CC(=O)NCc1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)c1ccco1	GD-id_ZINC14883116	366.437	PNXATMHRPXCAIE-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-090543
O=c1[nH]c([NH+](Cc2cc(ccc2)C)C)nc(=O)c2ncn(c12)CCCC=C	PC-id_31134208	366.437	CQNVLULKSKZSMR-UHFFFAOYSA-O	00000000100000110111000000000010000000000000000000000000	31-01-090544
O=C(Nc1ccccc1)c1cnn2c1CN(C(=O)c1cccs1)CCC2	ZINC22_1565550868,EMOLS-id_313763790	366.437	HGCCLYGHUWRFRH-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-090545
O=C(Nc1ccccc1)c1cnn2c1CN(C(=O)c1ccsc1)CCC2	EMOLS-id_313764302,ZINC22_1565544247	366.437	CCXKQRAXPMCXGI-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-090546
Cc1ccnn1CC(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_44441005,ZINC22_82121952,MCULE-6236296612,PC-id_70754542	366.439	JHZDLKXVNSFUKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090547
Cc1cnnn1Cc1ncn2c1CN(C(=O)CCS(=O)(=O)C)CCC2	ZINC22_1565545955,EMOLS-id_313732316	366.439	PTEOJHRYXDWPGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090548
Cc1nn(C)cc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82115437,PC-id_70743671,MCULE-7792629448,EMOLS-id_44437239	366.439	DIDBMSGHAVHARF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090549
CCC1(C)NC(=O)N(C1=O)NC(=O)CSc1nnc2n1CCCCC2	PC-id_17558264,MCULE-2614161961,EMOLS-id_11994315	366.439	KAHVTZOYQRFOTM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-090550
CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O	CoCoCo_4054370,ZINC22_8987307,PC-id_40898018	366.439	KAHVTZOYQRFOTM-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-090551
CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O	PC-id_40898014,ZINC22_8987303,CoCoCo_4054371	366.439	KAHVTZOYQRFOTM-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-090552
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C[C@H](C(=O)NCc1cc2n(n1)CCCN(S(=O)(=O)C)C2)n1cccn1	PC-id_96575376,ZINC22_82108820	366.439	JFKAUDWJJRLHMX-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090555
COc1ncnc(c1)CC(c1cc2c(s1)CCCCC2)Br	PC-id_104304457	367.304	MHPGGGQPZLWSHN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091064
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CCn1cc(cn1)S(=O)(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_50585751,MCULE-5485515109,PC-id_91910684	366.439	IXALXNFWRYGZGU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-090557
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Cn1cnc(c1)S(=O)(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-1507420007,EMOLS-id_50590522,PC-id_91922688	366.439	RRORUXLBVKOLKX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-090559
C1CCc2nnc(n2CC1)SC/C(=C(C#N)/c1nc2ccccc2[nH]1)/O	PC-id_135766345	366.44	JSKDTZQYHWVAKL-QINSGFPZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090560
c1(cc(C)nc2ncnn12)C(=O)Nc1sc2c(CCCCCC2)c1C#N	PC-id_45925391,EMOLS-id_27341779,ZINC22_36621546,MCULE-7777332099	366.44	PJIGBAUEUGDPIZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090561
c1(NC(=O)CCN2CCCn3nc(C#N)cc3C2)sc2c(cccc2)n1	MCULE-6708749279,ZINC22_65383107,PC-id_50954872,EMOLS-id_32380950	366.44	GDXGQXSJQAROLL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090562
S(c1n2CCCCCc2nn1)CC(=O)C(=C1NC2C(=N1)C=CC=C2)C#N	PC-id_78559306	366.44	ITPSHJKDPPUHJC-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-090563
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CCOC(=O)/C=C/c1c(c2-c(c(cc(cc2C)C)C)c1)/C=C/C(=O)OCC	PC-id_134887917	366.45	XOPLRNSWBDTYHL-GFULKKFKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090565
COC(=O)/C=C(C(=O)OC)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_101674435	366.45	ZSVQZBHTFBHCJI-BZTAXWJHSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090566
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s1c2c(CCCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)OCC	PC-id_2163556	366.452	ICRUDRZPPANODG-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-090569
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COc1cccc(c1)C=C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100996100	366.453	CFSVAURXBCTFFR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090571
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c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc(cc1C)F	ZINC22_92077486,PC-id_70786699,MCULE-3922398082,EMOLS-id_44748732	366.454	MJWUZYLPKFFZII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090577
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc(cc1F)C	ZINC22_82097906,EMOLS-id_44429383,MCULE-7553843148,PC-id_70721575	366.454	FHWJGINCIRDXMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090578
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc(c(C)c1)F	EMOLS-id_44435655,MCULE-7877968534,ZINC22_82109264,PC-id_70739302	366.454	ZVJDZMNZJLDZEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090579
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1cc(C)ccc1F	PC-id_70788566,MCULE-6631680867,EMOLS-id_44749926,ZINC22_92106962	366.454	YMTONJDJHLOQDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090580
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1cc(C)cc(F)c1	PC-id_70758549,EMOLS-id_44442369,ZINC22_82127685,MCULE-6727993801	366.454	YIPUWVDEUQGZSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090581
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1cccc(F)c1C	PC-id_70778717,ZINC22_82158009,EMOLS-id_44449343,MCULE-5872226668	366.454	VTJZLVVOQNPHFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090582
CCCN1CCCn2nc(CNS(=O)(=O)c3cccc(F)c3)cc2C1	MCULE-8162871863,PC-id_70708262,ZINC22_82087441,EMOLS-id_44424665	366.454	PVRGXVCKIJORBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090583
CCCN1CCCn2nc(CNS(=O)(=O)c3ccc(F)cc3)cc2C1	PC-id_70755980,ZINC22_82126038,MCULE-7987275011,EMOLS-id_44441497	366.454	ZFWOZCXNMBRVGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090584
COc1ccc(cc1C(=O)N1CCCc2c(C1)ccs2)S(=O)(=O)N	EMOLS-id_318295425	366.455	UYGANNCIVWHTBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090585
COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)cc1	EMOLS-id_50300353,ZINC22_73341114,MCULE-6596722718,PC-id_95907167	366.455	DJJWIWKFDUMRCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090586
O=C(C(c1ccccc1)c1ccccc1)c1c2-c(nc1NCC)ccccc2	PC-id_10690268	366.455	VMZOVJBJGJTJEB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-090587
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCNC(=O)C1)C(=O)OC	PC-id_8963399	366.455	ILJZIVGOCAOFER-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-090588
c12CN(CCC)CCCn1nc(CNC(=O)c1cc3c(c(C)ccc3)o1)c2	EMOLS-id_44431575,PC-id_70727841,MCULE-8458586046,ZINC22_82100259	366.457	SEUDUUZAFCEGFH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090589
c12CN(CCC)CCCn1nc(CNC(=O)c1ccc3c(cc(o3)C)c1)c2	ZINC22_82145693,EMOLS-id_44447217,MCULE-2152365977,PC-id_70772707	366.457	YRDNKKBNUOQOQB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090590
c12CN(CCC)CCCn1nc(CNC(=O)c1cccc3cc(C)oc13)c2	ZINC22_82121806,MCULE-9074549534,PC-id_70753925,EMOLS-id_44440779	366.457	CNBMEGSBXVTAQZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090591
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)c1ccc(cc1)C	PC-id_72886339,EMOLS-id_46060261,MCULE-1833238948,ZINC22_91644705	366.457	YJUNZFWBGOORTQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-090592
c12CN(CCCn1nc(CNC(=O)c1ccccc1C)c2)C(=O)C1CCC1	EMOLS-id_44451065,PC-id_70783635,MCULE-3212006253,ZINC22_82161269	366.457	GZZPSYODJMBGQR-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090593
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1)C)c2)C(=O)C1CCC1	PC-id_70751827,EMOLS-id_44440035,ZINC22_82121327,MCULE-1551188438	366.457	SDLBNAHNYLEUAT-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090594
c12CN(CCCn1nc(CNC(=O)c1cccc(C)c1)c2)C(=O)C1CCC1	PC-id_70740567,MCULE-1085519396,ZINC22_82109573,EMOLS-id_44436113	366.457	JWOTUYQCVJEZJB-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090595
c12CN(CCCn1nc(CNC(=O)Cc1ccccc1)c2)C(=O)C1CCC1	MCULE-5029248869,ZINC22_82087202,PC-id_70707557,EMOLS-id_44424435	366.457	GVLQUMXXNBBZCH-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090596
c12C(=O)N(CCCn1nc(C(=O)N1CCCCC1)c2)Cc1ccc(cc1)C	MCULE-7857523778,EMOLS-id_32846092,PC-id_50798091	366.457	RFRRVVZHGHRCEB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090597
c12C(=O)N(CCCn1nc(C(=O)N1CCC(CC1)C)c2)Cc1ccccc1	PC-id_46347960,MCULE-6963149772,EMOLS-id_30600604	366.457	LCVBGRNINWMSSN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090598
c12C(=O)N(CCCn1nc(C(=O)NC1CCCC1)c2)Cc1cccc(C)c1	MCULE-7007626214,PC-id_53034556,EMOLS-id_32633102	366.457	BFCXUCCOZIKQCN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090599
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCC1)c2)Cc1ccccc1	MCULE-2668456359,PC-id_46347969,EMOLS-id_30600618	366.457	INCPLEVAWSVXEM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090600
C1(c2ccc(cc2)C)(C(=O)NCc2cc3n(CCCN(C(=O)C)C3)n2)CC1	EMOLS-id_44440443,ZINC22_82121597,PC-id_70752924,MCULE-5560845870	366.457	DYJLBFOEQKRUDY-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-090601
c1(cc2c(ccc(OC)c2)n1C)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_91892929,EMOLS-id_44737954,MCULE-4305028721,PC-id_70769797	366.457	ZXIVGEMUVJJUPY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-090602
c1(cc2n(CCCN(C(=O)C)C2)n1)C(=O)N1CCCC1c1ccccc1C	MCULE-8692017356,EMOLS-id_32432710,PC-id_50982328	366.457	GCOSZIPQXXDSJX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090603
c1(C(=O)N2CCOCC2)cc2n(CCCN(CC=Cc3ccccc3)C2)n1	PC-id_72076743,MCULE-3838715503	366.457	DMWLOBFOWLZDHS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090604
C1(=O)N(c2ccccc2)CCC1C(=O)N(C)Cc1c2CCCCCc2[nH]n1	PC-id_72888800,EMOLS-id_48636298,MCULE-3045217721	366.457	JRILGRADPZTWMA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090605
CC1CC(C1)C(=O)N1CCCn2cnc(C(=O)NCc3ccccc3)c2C1	ZINC22_1565555325,EMOLS-id_313790266	366.457	WYICPEBSCYUSHQ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090606
Cc1ccc2c(CC(=O)NCCc3nnc4n3CCCCC4)coc2c1C	CoCoCo_4559864,EMOLS-id_13478642,ZINC22_14159532,MCULE-3180137790,PC-id_17455450	366.457	HMSMBQGAEGVXRT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090607
Cc1ccc2c(CC(=O)N(C)Cc3nnc4n3CCCCC4)coc2c1C	MCULE-7732981179,EMOLS-id_13458369,ZINC22_14108269,PC-id_17444326,CoCoCo_4524779	366.457	GPDULMSGCDWWKC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090608
Cc1ccc(cc1)/C=C/1CCCCc2c1n[nH]c2C(=O)NN1CCOCC1	PC-id_143431338	366.457	VMBDPMLJUNVQDR-SAPNQHFASA-N	00000000100010110101000000000010000000000000000000000000	31-01-090609
Cc1ccc(cc1)CC(=O)N1CCCn2c(C1)c(nc2)CN1CCCC1=O	PC-id_97519426	366.457	XYWOESVWTRAEGA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090610
Cc1ccc(cc1C)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	PC-id_97519428,EMOLS-id_44370236,ZINC22_96259344	366.457	LCVKLBYDIOISSY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090611
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC1CCCC1	PC-id_50798047,MCULE-5491187016,EMOLS-id_32846102	366.457	PNHNLHOIHZMPBT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090612
Cc1ccc(cc1)C(=O)N1C=C(C(=O)N(C)C)c2c(C(C1)(C)C)c(n[nH]2)C	SCHEMBL19702790	366.457	JMCUYARROKVXHG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-090613
Cc1cc(C)cc(c1)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	EMOLS-id_44370238,PC-id_97519429,ZINC22_96259345	366.457	SCDAWGNYPPEJQK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090614
Cc1cccc(COC2CN(Cc3ccnn3C2)C(=O)C2=CCCCC2)n1	EMOLS-id_50011182	366.457	KIZKMJYTSZBGJG-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-090615
Cc1cccc(CO[C@H]2CN(C(=O)C3=CCCCC3)Cc3ccnn3C2)n1	ZINC22_306131577	366.457	KIZKMJYTSZBGJG-FQEVSTJZSA-N	00000000100011101101000000000010000000000000000000000000	31-01-090616
Cc1cccc(CO[C@@H]2CN(C(=O)C3=CCCCC3)Cc3ccnn3C2)n1	ZINC22_306131578	366.457	KIZKMJYTSZBGJG-HXUWFJFHSA-N	00000000100011101101000000000010000000000000000000000000	31-01-090617
Cc1oc2ccccc2c1CCNC(=O)N1Cc2c[nH]nc2CC(C)(C)C1	MCULE-4420254941,PC-id_136552865,ZINC22_663194585,EMOLS-id_316878828	366.457	AJIHJMJRQNLFJQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090618
CCc1ccc(cc1)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	PC-id_97519427,EMOLS-id_44370234,ZINC22_96259343	366.457	YIULEQLFGNFGIY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090619
CCc1oc2c(NC(=O)CCc3cc4CNCCCn4n3)cccc2c1C	EMOLS-id_43136188,MCULE-1676660959,ZINC22_72438899,PC-id_70751678	366.457	ZZYKVEJWMAUYFT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090620
CC[C@@H](C(=O)NCc1n[nH]c2c1CCCCC2)N1Cc2ccccc2C1=O	ZINC22_670442530	366.457	WXRSELKIVAZSDA-IBGZPJMESA-N	00000010100000100101000000001010000000000000000000000000	31-01-090621
CC[C@H](C(=O)NCc1n[nH]c2c1CCCCC2)N1Cc2ccccc2C1=O	ZINC22_670442532	366.457	WXRSELKIVAZSDA-LJQANCHMSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090622
CC([C@@H](N1Cc2c(C1=O)cccc2)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_258104121,MCULE-6486905383	366.457	WMKUDYYAOUXMRB-LJQANCHMSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090623
CCC(N1Cc2ccccc2C1=O)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-9521398277,EMOLS-id_222759633	366.457	WXRSELKIVAZSDA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090624
C=CC(=O)N(C)c1ccc(C(=O)N2Cc3cnn(C)c3CC(C)(C)C2)cc1	ZINC22_1875373765	366.457	OBWFYISRUJHHPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090625
CCNC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)C	SCHEMBL19702786	366.457	UYVCOKFWVGDMDB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-090626
CC(NC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(cc1)C)C	SCHEMBL19702788	366.457	AJNONRFMHQIAEU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-090627
CC(=O)N1CCCn2nc(C(=O)N3CCC[C@H]3c3ccccc3C)cc2C1	PC-id_95146955,ZINC22_65526065	366.457	GCOSZIPQXXDSJX-FQEVSTJZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090628
CC(=O)N1CCCn2nc(C(=O)N3CCC[C@@H]3c3ccccc3C)cc2C1	ZINC22_65526066,PC-id_95146956	366.457	GCOSZIPQXXDSJX-HXUWFJFHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090629
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CCN(c2ccccc2)C1=O	ZINC22_95512859,PC-id_97277295	366.457	JRILGRADPZTWMA-KRWDZBQOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090630
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CCN(c2ccccc2)C1=O	ZINC22_95512860,PC-id_97277296	366.457	JRILGRADPZTWMA-QGZVFWFLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090631
COc1cccc(c1)C=C1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	MCULE-7869192065,EMOLS-id_320277927	366.457	MDEXAOFVCWONNF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090632
COCc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)o1	EMOLS-id_20517173,MCULE-9015760467,ZINC22_20781081,CoCoCo_1296010,CoCoCo_1296009,PC-id_29152180	366.457	IMKCVEXCJCCGEJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-090633
COCCn1ccc2c(C(=O)N3Cc4c[nH]nc4CC(C)(C)C3)cccc12	ZINC22_2325780616	366.457	BEYIVYPMVMQRRN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-090634
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)CC1=CCCCC1	PC-id_91922556,EMOLS-id_50585933,MCULE-6853648912	366.457	HDXVJABRERKGNN-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-090635
O(c1c(/C=C(c2n3CCCCCc3nn2)/C#N)cccc1OCC)CCC	PC-id_51167043	366.457	RLTSZWCKPGAIAC-VKAVYKQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-090636
O(c1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1OCC)CCC	PC-id_75619607	366.457	RLTSZWCKPGAIAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090637
O(c1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1OCC)CCC	PC-id_8275461	366.457	RLTSZWCKPGAIAC-SAPNQHFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-090638
O(c1cc(/C=C(c2n3CCCCCc3nn2)/C#N)ccc1OC)CCCC	PC-id_51167044	366.457	AAGHIVMPTJSJNT-LGMDPLHJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090639
O(c1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1OC)CCCC	PC-id_75619608	366.457	AAGHIVMPTJSJNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090640
O(c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1OC)CCCC	PC-id_8275462	366.457	AAGHIVMPTJSJNT-GHRIWEEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-090641
O(c1c(OCC)cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)CCC	PC-id_55351849	366.457	GOXJXAKARUIYGV-LGMDPLHJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090642
O(c1c(OCC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1)CCC	PC-id_76230438	366.457	GOXJXAKARUIYGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090643
O(c1c(OCC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)CCC	PC-id_8275410	366.457	GOXJXAKARUIYGV-GHRIWEEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-090644
O=C(c1cc2n(n1)CCCN(C/C=C/c1ccccc1)C2)N1CCOCC1	ZINC22_65397817,PC-id_50961409,EMOLS-id_44852865	366.457	DMWLOBFOWLZDHS-XBXARRHUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090645
OC(c1ccco1)CN(Cc1nnc2n1CCCCC2)Cc1ccccc1	PC-id_145895821,EMOLS-id_320396617,MCULE-2436859028	366.457	HYPJBZLEXDHBCF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-090646
O=C(C1CCC(=O)N(C1c1ccccc1)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101671472	366.457	CAEMRDUZVJTEJO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090647
O=C(c1noc2c1CCCCC2)NC(c1nc2c(n1C(C)C)cccc2)C	EMOLS-id_101056090	366.457	RQLWIDKFYQADBA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090648
O(CC(C)C)c1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1OC	PC-id_78650366	366.457	ANODDYCEFRGAEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090649
O(CC(C)C)c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1OC	PC-id_8275448	366.457	ANODDYCEFRGAEP-GZTJUZNOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090650
O(CCCC)c1c(OC)cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1	PC-id_60459719	366.457	UYHNRJLNRSKDCD-LGMDPLHJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090651
O(CCCC)c1c(OC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_76862568	366.457	UYHNRJLNRSKDCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090652
O(CC(C)C)c1c(OC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_78650321	366.457	UZJQBNQPBHXRQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090653
O(CC(C)C)c1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_8275321	366.457	UZJQBNQPBHXRQA-GZTJUZNOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090654
O(CCCC)c1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_8275337	366.457	UYHNRJLNRSKDCD-GHRIWEEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-090655
O=C([C@H](N1Cc2c(C1=O)cccc2)C)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319208323	366.457	FHEUXIOENSTRBN-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090656
O[C@H](CN(Cc1ccccc1)Cc1nnc2n1CCCCC2)c1ccco1	ZINC22_267693892	366.457	HYPJBZLEXDHBCF-GOSISDBHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-090657
O[C@@H](CN(Cc1ccccc1)Cc1nnc2n1CCCCC2)c1ccco1	ZINC22_267693896	366.457	HYPJBZLEXDHBCF-SFHVURJKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-090658
O=C(N1CCCc2c(C1)cnn2C)C1CCCN(C1)C(=O)c1ccccc1	EMOLS-id_101671448	366.457	PMADWAUNEJWBAT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090659
O=C(N1CCCc2c(C1)cnn2C)C1CC(=O)N(C1)c1cccc(c1C)C	EMOLS-id_101667410	366.457	CJQQSILJVMQFQA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090660
O=C(N1CCCCCC1)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_16324574,CoCoCo_2544480,PC-id_20964688,MCULE-1508754077	366.457	RPFFELKCZBKMLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090661
O=C(N1CCCn2c(C1)c(nc2)CN1CCCC1=O)CCc1ccccc1	PC-id_97519441	366.457	HHVDVOSAELOOGS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090662
O=C(N1CCN(CC1)Cc1ccccc1)Cn1ccc2c1CCCNC2=O	PC-id_101862662	366.457	VJYDUZMCRKPTOT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090663
c12CN(CCCn1nc(CNC(=O)CN(C)CCOC)c2)C(=O)N(C)C	ZINC22_82108892,EMOLS-id_44435011,PC-id_70737496,MCULE-9904796206	366.458	KRGIOSVRZZBALW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090664
c1(C(=O)OC)cc2n(CCCN(C(=O)CSc3scc(C)n3)C2)n1	ZINC22_65395381,PC-id_50959438,EMOLS-id_32389622,MCULE-5506074479	366.458	NXXKKPMUYAIUAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090665
s1c2c(CCCCC2)c(c1NC(=O)CSc1[nH]ncn1)C(=O)OC	PC-id_8706247	366.458	TWSMYFOMUAWMJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090666
c12CN(CCC)CCCn1nc(CNC(=O)Cc1[nH]c3c(cccc3)n1)c2	MCULE-9526387743,ZINC22_82108441,PC-id_70736165,EMOLS-id_44434547	366.46	VQUXSBKLRKUNNK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090667
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)Cc1cc(n(C)c1)C#N	EMOLS-id_46099097,PC-id_72939633,ZINC22_92096609,MCULE-8446603490	366.46	CQGGEDCLUMSFRQ-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-090668
c12CN(CCCn1nc(CNc1ncnc3CCCc13)c2)C(=O)C1CCC1	ZINC22_82114397,MCULE-7542829493,PC-id_70741393,EMOLS-id_44436433	366.46	QOFCARXDJNHZCD-UHFFFAOYSA-N	00001010100000100101000000001010000000000000000000000000	31-01-090669
c12CN(CCCn1nc(CNc1ncnc(c1)C1CC1)c2)C(=O)C1CCC1	MCULE-3316059836,ZINC22_82120141,EMOLS-id_44438311,PC-id_70746782	366.46	QXFQFUYBFXHRRF-UHFFFAOYSA-N	00101000100000100101100000000010000000000000000000000000	31-01-090670
c12CN(CCCn1nc(CNC(=O)Nc1cccc(c1)C#N)c2)CC(C)C	EMOLS-id_44450087,MCULE-9848720064,ZINC22_82157695,PC-id_70780904	366.46	FDAYVADXTYAFHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090671
c12nc(C)cc(C)n1nc(C)c2C(=O)N(C)Cc1c2CCCCCc2[nH]n1	PC-id_118779434,ZINC22_299773003,EMOLS-id_68909177,MCULE-6264261925	366.46	BQKXGTZEEFGLOG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090672
c12nc(C)cc(C(=O)N(C)Cc3c4CCCCCc4[nH]n3)c1c(nn2C)C	PC-id_118768096,MCULE-5253195050,EMOLS-id_68885655,ZINC22_299754877	366.46	AYJKSZMMSDCDHI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090673
c1(C(C)NC(=O)N(C)Cc2c3CCCCCc3[nH]n2)[nH]c2c(cccc2)n1	EMOLS-id_82722583,PC-id_119067074,MCULE-6384207938	366.46	CAXQCWDJOWQKTI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090674
c1([C@H](CC(C)C)NC(=O)c2c3CCCCCc3[nH]n2)nnc2ccccn12	EMOLS-id_49247044,MCULE-5175715321,STOCK7S-46282,ZINC22_96230915,PC-id_75489457	366.46	ZMGADORDOVQJBG-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090675
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3ccc(cn3)CC)C2)n1	EMOLS-id_50526193,PC-id_90647448,MCULE-3010708462	366.46	SPIVIPGGVLARAP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090676
c1(C(O)c2ccnn2C)cc2n(CCCN(CCc3cccc(C)n3)C2)n1	EMOLS-id_55620326,PC-id_91766249,MCULE-3318988222	366.46	TUCZDHUHPIZMJV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090677
c1(C(=O)Nc2ccc3c(c2)ncn3CCN(C)C)c2CCCCCc2[nH]n1	EMOLS-id_323251645,MCULE-5178415430	366.46	SIOBHDPMAQHBSC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090678
c1(C(=O)NCc2cn3c(ccc(C)c3)n2)cc2n(CCCN(C(C)C)C2)n1	PC-id_50962687,MCULE-3856119078,EMOLS-id_32395742,ZINC22_65403264	366.46	LJVNGJJZJPTAEB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090679
c1(C(=O)NCCCc2[nH]c3c(c(C)c(cc3)C)n2)cn2c(CCNCC2)n1	ZINC22_1857718463,MCULE-9660510786,EMOLS-id_330447885	366.46	VDULBZGRHDONOI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090680
c1(C(=O)NC(CC(C)C)c2nnc3ccccn23)c2CCCCCc2n[nH]1	PC-id_75357036,EMOLS-id_301056829,EMOLS-id_50404046,MCULE-3710618848	366.46	ZMGADORDOVQJBG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090681
c1(C(=O)NCCCCCc2nnc3ccccn23)c2CCCCCc2n[nH]1	STOCK7S-46460,MCULE-3097007006,EMOLS-id_49247388,EMOLS-id_50400826,ZINC22_96231123,PC-id_75489610	366.46	NLBZLPWCKVTZQJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090682
Cc1ccc2c(c1)c(CNC(=O)CCc1cc3n(n1)CCCNC3)nn2C	MCULE-4893266094,PC-id_70774083,EMOLS-id_43164974,ZINC22_72475479	366.46	JZSCQRNIOARAEO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090683
Cc1cc(C)cc(c1)C1=CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102167002	366.46	HIZALNIWJDDTSM-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-090684
Cc1cccc(CCN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)n1	PC-id_100029730,ZINC22_218920473	366.46	TUCZDHUHPIZMJV-HXUWFJFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090685
Cc1cccc(CCN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)n1	PC-id_100029732,ZINC22_218920539	366.46	TUCZDHUHPIZMJV-FQEVSTJZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090686
CCc1ccc(nc1)CN1CCCn2c(C1)cc(n2)[C@H](c1ccnn1C)O	PC-id_100007404	366.46	SPIVIPGGVLARAP-HXUWFJFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090687
CCc1ccc(nc1)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccnn1C)O	PC-id_100007407	366.46	SPIVIPGGVLARAP-FQEVSTJZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090688
CCc1[nH]c2c(c1C)cc(cc2CNC(=O)[C@@H]1CCCCn2c1nnn2)C	PC-id_96576184	366.46	MQJZSVONIUZGBD-OAHLLOKOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-090689
CCc1[nH]c2c(c1C)cc(cc2CNC(=O)[C@H]1CCCCn2c1nnn2)C	PC-id_96576185	366.46	MQJZSVONIUZGBD-HNNXBMFYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-090690
CC(C)C[C@@H](NC(=O)c1n[nH]c2c1CCCCC2)c1nnc2ccccn12	ZINC22_206252222,PC-id_99871377	366.46	ZMGADORDOVQJBG-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090691
CC(C)CN1CCCn2nc(CNc3noc(c4ccccc4)n3)cc2C1	PC-id_70743783,EMOLS-id_44437263,ZINC22_82115468,MCULE-2914605480	366.46	NBBRSIFESGDMBM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090692
CC(C)n1cc(CN2Cc3ccnn3C[C@@H](OCc3ccncc3)C2)cn1	ZINC22_306130049	366.46	IVAULIHRVRQSNV-FQEVSTJZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090693
CC(C)n1cc(CN2Cc3ccnn3C[C@H](OCc3ccncc3)C2)cn1	ZINC22_306130050	366.46	IVAULIHRVRQSNV-HXUWFJFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090694
CC(C)n1cc(CN2CC(Cn3nccc3C2)OCc2ccncc2)cn1	EMOLS-id_50016272	366.46	IVAULIHRVRQSNV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090695
C[C@@H](NC(=O)N(C)Cc1n[nH]c2c1CCCCC2)c1nc2ccccc2[nH]1	ZINC22_426518895	366.46	CAXQCWDJOWQKTI-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090696
C[C@H](NC(=O)N(C)Cc1n[nH]c2c1CCCCC2)c1nc2ccccc2[nH]1	ZINC22_426518896	366.46	CAXQCWDJOWQKTI-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090697
CN(C1CCn2c(CC1)n[nH]c2=O)Cc1c[nH]nc1c1ccc(c(c1)C)C	MCULE-5772844696,EMOLS-id_97041579	366.46	OSKUOJDOOACEHM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090698
CN(Cc1n[nH]c2c1CCCCC2)c1nnc([C@H](N)Cc2ccccc2)o1	PC-id_137344753,MCULE-4985601772,EMOLS-id_317459852,ZINC22_1772702855	366.46	FDJLEQJKLLNULE-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090699
CN=C(NCc1oc2c(c1C)cccc2)NCc1nnc2n1CCCCC2	PC-id_111602715	366.46	DTDNIGDQBGPWFV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090700
COCCn1ccnc1CN1CCc2nnc(n2CC1)Cc1ccccc1	PC-id_135089736	366.46	RQBOXUGPGPIBNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090701
COCCn1cncc1CN1CCc2nnc(Cc3ccccc3)n2CC1	PC-id_91841579,EMOLS-id_55693869,ZINC22_244678634,MCULE-7585020590	366.46	IHFZAYWIAYVENH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090702
N#Cc1cccc(c1)CN(C(=O)C1CCn2c(CC1)nnc2)CCN(C)C	EMOLS-id_278144772	366.46	PCZYESXICBKDSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090703
N#CC(c1nnc2n1CCCCC2)C(=O)c1cc(n(n1)C(C)(C)C)C1CC1	EMOLS-id_98913230	366.46	CYFCLUFHHBZUPR-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-090704
O=C1N(CCCN2CCN(CC2)c2ncccn2)CC=Cc2c1ccn2C	SCHEMBL6769676,PC-id_22738056	366.46	MVGSXJKBNLSLDG-UHFFFAOYSA-N	00000000100010100111100000000010000000000000000000000000	31-01-090705
O=C(C1=CCCCC1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_306138281	366.46	RUDWPZKHARIWCU-INIZCTEOSA-N	00000000100011100101000000000010000000000000000000000000	31-01-090706
O=C(C1=CCCCC1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_306138282	366.46	RUDWPZKHARIWCU-MRXNPFEDSA-N	00000000100011100101000000000010000000000000000000000000	31-01-090707
O=C(CC1=CCCCC1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_306135015	366.46	OEVOLLKGQSCOJC-KRWDZBQOSA-N	00000000100011100101000000000010000000000000000000000000	31-01-090708
O=C(CC1=CCCCC1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_306135016	366.46	OEVOLLKGQSCOJC-QGZVFWFLSA-N	00000000100011100101000000000010000000000000000000000000	31-01-090709
O=C(CC1=CCCCC1)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_55735393	366.46	OEVOLLKGQSCOJC-UHFFFAOYSA-N	00000000100011100101000000000010000000000000000000000000	31-01-090710
O=C(N1CCn2c(CC1)nnc2C(C)C)CCn1c(C)nc2c1cccc2	ChEMBL-DNDi_CHEMBL47089358	366.46	DBHKUOHJGVUUGY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090711
O=C(NCc1c2[nH]c(c(c2cc(c1)C)C)CC)C1CCCCn2nnnc12	PC-id_70743873	366.46	MQJZSVONIUZGBD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-090712
O=C(NCCc1n2CCCCCc2nn1)c1ccc(N2N=C(CC2)C)cc1	PC-id_55790639	366.46	CSCZAVDLIMSBOX-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-090713
O=C(NCCc1n2CCCCCc2nn1)Cn1c2c(nc1CC)cccc2	PC-id_51304507	366.46	IXAOVZXLONFLQZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090714
O=C(NCCc1nc2n(c1)cccc2)c1nn2CCCN(Cc2c1)C(C)C	PC-id_50969173	366.46	OJYRHKKVWDNWPV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090715
s1c2CCCCCCc2cc1C(=Nc1nc([nH]n1)c1nc(ccc1)C)[O-]	PC-id_52681342	366.46	PWEXICOXYUOOAB-UHFFFAOYSA-M	00000000100000101101100000000010000000000000000000000000	31-01-090716
CC(c1nnnn1c1ccc(cc1C)NCc1nnc2n1CCCCC2)C	EMOLS-id_100818215	366.463	UBAABSXMSFJLED-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090717
CC(C)CN1CCCn2nc(CNc3nnnn3c3ccccc3)cc2C1	ZINC22_82121600,MCULE-5666684038,PC-id_70752932,EMOLS-id_44440447	366.463	VIMDLOWOSXJXCJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090718
CC(C)n1cc(CN2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)cn1	ZINC22_306144225	366.463	YZRCAPYOHTYCBM-INIZCTEOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-090719
CC(C)n1cc(CN2Cc3ccnn3C[C@H](CNc3ncccn3)C2)cn1	ZINC22_306144226	366.463	YZRCAPYOHTYCBM-MRXNPFEDSA-N	00000000100000100101000000000010000000000000000000000000	31-01-090720
CC(C)n1cc(CN2CC(CNc3ncccn3)Cn3nccc3C2)cn1	EMOLS-id_50371415	366.463	YZRCAPYOHTYCBM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-090721
CC1(COCc2ccc(cc2)c2ccccc2)COc2c(OC1)csc2	PC-id_102072347	366.473	MVYXRENBQOBERE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090722
c1(NC(=O)CN2CCOCC2)sc2c(CCCCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL5670640,SPECS-id_AG-667/11912028,MCULE-8108671258,PC-id_2860293,ZINC22_19758164,CoCoCo_678348,EMOLS-id_2366822	366.475	UFBBDQBPUCZVLE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090723
CC(C[C@@H](C(=O)O)NC(=O)CNC(=O)c1cc2c(s1)CCCCC2)C	PC-id_120695504,EMOLS-id_57906944,MCULE-2129484296	366.475	LYXWQEORVCSDPH-ZDUSSCGKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090724
CC(=O)NCCN(C(=O)c1sc2c(c1)CCCCCC2)C(C(=O)O)C	EMOLS-id_72116733,PC-id_120287889,MCULE-1098386139	366.475	VUAMKCYMFGUFIC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090725
COC(C(=O)N1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2)OC	EMOLS-id_319959670,MCULE-2376571731	366.475	QNNNILYDSFTXGW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090726
COC(=O)c1c(NC(=O)N2CC(C(C2)(C)C)O)sc2c1CCCCC2	EMOLS-id_111979045	366.475	NQIXFGJPJFVATD-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-090727
COC(=O)c1c(NC(=O)N2CCC(CC2)(C)O)sc2c1CCCCC2	EMOLS-id_110264155	366.475	LQLCMDKEHMRXCW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090728
COC(=O)c1c(NC(=O)N2CCCC(C2)(C)O)sc2c1CCCCC2	EMOLS-id_110582466	366.475	DSNBRIFZDHKNBC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090729
O=C(Nc1nc2c(s1)CCCCC2)CCC1CCC(O1)C1OCCO1	EMOLS-id_316678218	366.475	OTBFGLXRVYFVHO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-090730
OC(=O)CN(CC1OCCN(C1)C(=O)c1cc2c(s1)CCCCC2)C	PC-id_120441473	366.475	PSBNNBCOEMBJNS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090731
s1c2CCCCCc2cc1C(=O)NNC(=O)C(OCC1OCCC1)C	PC-id_56129519	366.475	SBAYBVHUSVRNOC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-090732
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(C(=O)NCCC)C	PC-id_85001888	366.475	WGIOKGAWXOHPFK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090733
s1c2CCCCCc2cc1C(=O)OCC(=O)N(CC(=O)NCC)CC	PC-id_9402923	366.475	PKZFKSRACYBXDI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090734
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@@H](C(=O)NCCC)C	PC-id_9403102	366.475	WGIOKGAWXOHPFK-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090735
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@H](C(=O)NCCC)C	PC-id_9403111	366.475	WGIOKGAWXOHPFK-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090736
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NCCC(C)C	PC-id_16509427	366.475	LUPMMHBRQADGCX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090737
s1c2CCCCCc2cc1C(=O)OC(C(=O)NC(=O)NC(C)(C)C)C	PC-id_78644211	366.475	IXYZHZFVHNELRB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090738
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)NC(=O)NC(C)(C)C)C	PC-id_8254876	366.475	IXYZHZFVHNELRB-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-090739
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)NC(=O)NC(C)(C)C)C	PC-id_8254884	366.475	IXYZHZFVHNELRB-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090740
s1c2c(CCCCC2)c(c1NC(=O)CCCC)C(=O)NC(=O)OCC	PC-id_7521928	366.475	MXXDFVBSAKBZMS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090741
s1c2c(CCCCC2)c(c1NC(=O)C(C)(C)C)C(=O)NC(=O)OCC	PC-id_7521929	366.475	DZTZTPWPNRTWMU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090742
s1c2CCCCCCc2cc1C(=O)OC(C(=O)NC(=O)NC(C)C)C	PC-id_46622607	366.475	MHYZWQPEQFUKKD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090743
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)NC(C)(C)C	PC-id_7618206	366.475	FEFLFCHEEYGZLD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090744
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)NC(CC)C	PC-id_78513570	366.475	CWKGZXTZBDLAIG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090745
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)N[C@@H](CC)C	PC-id_7618734	366.475	CWKGZXTZBDLAIG-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090746
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)N[C@H](CC)C	PC-id_7618741	366.475	CWKGZXTZBDLAIG-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090747
s1c2CCCCCCc2cc1C(=O)O[C@@H](C(=O)NC(=O)NC(C)C)C	PC-id_8943287	366.475	MHYZWQPEQFUKKD-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090748
s1c2CCCCCCc2cc1C(=O)O[C@H](C(=O)NC(=O)NC(C)C)C	PC-id_8943294	366.475	MHYZWQPEQFUKKD-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090749
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCOCC1)C(=O)OC	PC-id_22197604	366.475	RMJKUGFXWBHRJX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090750
C1C(COc2cscc2O1)(Cc1ccc(cc1)N)Cc1ccc(cc1)N	SCHEMBL14935064,PC-id_86684652	366.477	SBMVFQDNXLLWLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090751
C=C/C=C/1C(=C)CCn2c(C1=Cc1cccc(c1)NS(=O)(=O)C)ccc2	PC-id_142906805	366.477	HHFLPOXAVOEBNP-OCPRENGPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090752
CC(C(=O)N1CCS(=O)(=O)c2c(C1C)cc(s2)S(=O)(=O)N)C	PC-id_19106454,SCHEMBL9430249	366.477	OJYOHAMMIRDQCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090753
CC(C(=O)N1CCS(=O)(=O)c2c([C@@H]1C)cc(s2)S(=O)(=O)N)C	PC-id_67849883,SCHEMBL9429812	366.477	OJYOHAMMIRDQCP-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090754
CC(C(=O)N1CCS(=O)(=O)c2c([C@H]1C)cc(s2)S(=O)(=O)N)C	SCHEMBL9429807,PC-id_22849728	366.477	OJYOHAMMIRDQCP-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090755
s1c2CCCCCCc2c(c1NC(=O)C=Cc1ccc(OC)cc1)C#N	PC-id_4463639	366.477	IJOJNQINJBKJIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090756
s1c2CCCCCCc2c(c1NC(=O)/C=C/c1ccc(OC)cc1)C#N	PC-id_6116685	366.477	IJOJNQINJBKJIJ-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090757
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc(CCC)o1	EMOLS-id_44436155,ZINC22_82109602,PC-id_70740690,MCULE-9892559015	366.478	WMDRUQZZVZIWDC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-090758
c1(C(=O)N2CCN(CC2)C2CCS(=O)(=O)C2)c2CCCCCc2[nH]n1	EMOLS-id_49250038,PC-id_75490791,MCULE-3443321149,STOCK7S-47829,EMOLS-id_54879634	366.478	IQMNGZUKMORGQX-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-090759
CC(C)CNC(=O)N1CCc2nc(C(=O)N3CCOCC3)sc2CC1	ZINC22_96264784,PC-id_97524717,EMOLS-id_44379402	366.478	XUWUUGNUPMOJCY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090760
CC(C(=O)N1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2)O	EMOLS-id_111890421	366.478	LMFXXQPRTDDDSX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090761
CCN(C1CC(C1)NC(=O)Nc1nc2c(s1)CCCCC2)CC(=O)O	PC-id_122074612	366.478	IWIPXBMXBWTBEZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-090762
CCS(=O)(=O)NCCC1CN(Cc2ccc(C)o2)Cc2ccnn2C1	EMOLS-id_50371205	366.478	DWSHTJMKMMHMNI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-090763
CCS(=O)(=O)NCCC1CN(Cc2cc(C)on2)Cc2cccn2C1	EMOLS-id_313838114	366.478	PVDIZKUDNAXTIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090764
CCS(=O)(=O)NCC[C@H]1CN(Cc2ccc(C)o2)Cc2ccnn2C1	ZINC22_248065411	366.478	DWSHTJMKMMHMNI-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-090765
CCS(=O)(=O)NCC[C@@H]1CN(Cc2ccc(C)o2)Cc2ccnn2C1	ZINC22_248065414	366.478	DWSHTJMKMMHMNI-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-090766
CCS(=O)(=O)NCC[C@H]1CN(Cc2cc(C)on2)Cc2cccn2C1	ZINC22_585095402	366.478	PVDIZKUDNAXTIA-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090767
CCS(=O)(=O)NCC[C@@H]1CN(Cc2cc(C)on2)Cc2cccn2C1	ZINC22_585095405	366.478	PVDIZKUDNAXTIA-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090768
COCC[C@@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2cccn2C1	ZINC22_585095083	366.478	DESQGFXQRASBHF-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090769
COCC[C@H]1CN(S(=O)(=O)c2c(C)nn(C)c2C)Cc2cccn2C1	ZINC22_585095084	366.478	DESQGFXQRASBHF-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090770
COCCN1CCN(CC1=O)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098346	366.478	ZSCCTZRIESKVBV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090771
CS(=O)(=O)NCC1CN(Cc2ccnn2C1)C(=O)CC1=CCCCC1	EMOLS-id_50373697	366.478	WZIIVINMJMBXIR-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-090772
CS(=O)(=O)NCCC1CN(Cc2ccnn2C1)C(=O)C1=CCCCC1	EMOLS-id_50375253	366.478	SURHMDZDJUKTOV-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-090773
CS(=O)(=O)NCC[C@H]1CN(C(=O)C2=CCCCC2)Cc2ccnn2C1	ZINC22_306139321	366.478	SURHMDZDJUKTOV-AWEZNQCLSA-N	00000000100011000101000000000010000000000000000000000000	31-01-090774
CS(=O)(=O)NCC[C@@H]1CN(C(=O)C2=CCCCC2)Cc2ccnn2C1	ZINC22_306139322	366.478	SURHMDZDJUKTOV-CQSZACIVSA-N	00000000100011000101000000000010000000000000000000000000	31-01-090775
CS(=O)(=O)NC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn2C1	ZINC22_247554629	366.478	WZIIVINMJMBXIR-HNNXBMFYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-090776
CS(=O)(=O)NC[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn2C1	ZINC22_247554633	366.478	WZIIVINMJMBXIR-OAHLLOKOSA-N	00000000100011000101000000000010000000000000000000000000	31-01-090777
NCCCCCn1ncc(n1)COCC1(C)COc2c(OC1)csc2	PC-id_143322852	366.478	LRXFSFJQRBYZCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090778
NC(=O)NC(C(=O)NNC(=O)c1sc2c(c1)CCCCCC2)C(C)C	MCULE-3967730930,PC-id_42910259,EMOLS-id_24002938	366.478	TULSMQSTZIDIJN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090779
NC(=O)N[C@@H](C(=O)NNC(=O)c1sc2c(c1)CCCCCC2)C(C)C	CoCoCo_3415959,PC-id_35431150	366.478	TULSMQSTZIDIJN-CQSZACIVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090780
NC(=O)N[C@H](C(=O)NNC(=O)c1sc2c(c1)CCCCCC2)C(C)C	CoCoCo_3415960,PC-id_35431153	366.478	TULSMQSTZIDIJN-AWEZNQCLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090781
O=C(c1n[nH]c2c1CCCCC2)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	PC-id_97497060,ZINC22_96232649	366.478	IQMNGZUKMORGQX-CYBMUJFWSA-N	00000010100010000101100000000010000000000000000000000000	31-01-090782
O=C(c1n[nH]c2c1CCCCC2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	PC-id_97497061,ZINC22_96232650	366.478	IQMNGZUKMORGQX-ZDUSSCGKSA-N	00000010100010000101100000000010000000000000000000000000	31-01-090783
O=C(N1CC(C1)S(=O)(=O)N1CCCc2c(C1)cnn2C)C1CCCC1	EMOLS-id_101950809	366.478	FEQYEZDXTKXRPT-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-090784
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)N)[C@H](CC)C	PC-id_9163626	366.478	NCCITLJCRMXPOO-HZMBPMFUSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090785
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC(=O)N)C(CC)C	PC-id_84942061	366.478	NCCITLJCRMXPOO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090786
CCCCCC1=CC(=c2c(=CC1)n(cn2)C(C)C)Cc1cccc(c1)P	PC-id_141941500	366.479	HDWJBAFQXWEYNB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-090787
C1CN(CCn2c1ncc2C(=O)NCc1ccccc1)Cc1cccs1	PC-id_134809246	366.48	VTFVXXKYVOTVMY-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-090788
c1(C(=O)NCc2cc3n(CCCNC3)n2)csc(C)c1c1ccccc1	PC-id_70776614,MCULE-9777758587,ZINC22_82148345,EMOLS-id_44448583	366.48	DZDADHJMCIRWPH-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-090789
c1(C(=O)NCc2cccc(c2)c2scc(C)n2)c2CCCCCc2[nH]n1	EMOLS-id_323251644,MCULE-9560869270	366.48	XLTZOQRMQBBOJD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090790
c1(C(=O)NCCc2scc(c3ccccc3)n2)c2CCCCCc2[nH]n1	MCULE-2438125780,EMOLS-id_323249083	366.48	PKKPJSYYOMBNAS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090791
Cc1ccc(cc1)N(C(=O)C1CCn2c(CC1)nnc2)Cc1cccs1	MCULE-5021478528,EMOLS-id_320021706	366.48	FSDLOJJMPODURT-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-090792
Cc1cc(C(=O)NCc2cc3n(n2)CCCNC3)sc1c1ccccc1	ZINC22_82138507,EMOLS-id_44446051,MCULE-8352991156,PC-id_70769215	366.48	NHQPQRRTQYILOF-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-090793
Cc1cc(n(n1)c1ccccn1)NC(=O)c1sc2c(c1)CCCCCC2	PC-id_112772662	366.48	ATDLPAAWVGKTAK-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-090794
Cc1nccn1c1ccc(CNC(=O)c2cc3c(s2)CCCCC3)cn1	ZINC22_65727853,EMOLS-id_44543672,MCULE-6052963399,PC-id_71888414	366.48	XBRLMUMRSDDIAP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-090795
CC(c1ccc(cc1)n1cncn1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_11930978,MCULE-9989207595,PC-id_17409822	366.48	CICQWRIXCZYNFG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090796
C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccc(n2cncn2)cc1	CoCoCo_3947999,PC-id_25908896,ZINC22_13987230	366.48	CICQWRIXCZYNFG-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090797
C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccc(n2cncn2)cc1	ZINC22_13987234,CoCoCo_3947998,PC-id_25908897	366.48	CICQWRIXCZYNFG-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090798
Cn1ncc(c1)c1ncccc1NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_99466176	366.48	SEGTZDNOCCLCNM-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-090799
Cn1ncc(c1)CNc1ccc(cc1)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_316567310	366.48	XPEXXOQMVWCULV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090800
n1c(csc1c1ccccc1)CC(=O)NCc1c2CCCCCc2[nH]n1	ZINC22_670448716,EMOLS-id_222765657,MCULE-2114488522	366.48	QUQXQNMCXANDCD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090801
N#Cc1cccnc1N1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_110728903	366.48	XNKWLSAICOZYKO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-090802
N#Cc1ccnc(c1)N1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	PC-id_55539616,EMOLS-id_110850695	366.48	YMRTVPLBYVVMJP-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-090803
O=C(c1cccs1)N1Cc2cccn2C[C@H](CCNc2ccccn2)C1	ZINC22_585095259	366.48	KSUMMKSDKJPYQM-INIZCTEOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-090804
O=C(c1cccs1)N1Cc2cccn2C[C@@H](CCNc2ccccn2)C1	ZINC22_585095260	366.48	KSUMMKSDKJPYQM-MRXNPFEDSA-N	00000000100100101101000000000010000000000000000000000000	31-01-090805
O=C(c1ccsc1)N1Cc2cccn2C[C@H](CCNc2ccccn2)C1	ZINC22_585095595	366.48	ZPEPWWHRUROZQC-INIZCTEOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-090806
O=C(c1ccsc1)N1Cc2cccn2C[C@@H](CCNc2ccccn2)C1	ZINC22_585095596	366.48	ZPEPWWHRUROZQC-MRXNPFEDSA-N	00000000100100101101000000000010000000000000000000000000	31-01-090807
O=C(N1CCCc2c(C1)cnn2C)c1ccc(cc1)NCc1cscc1	EMOLS-id_316573035	366.48	DNPDUQWBJLUGOC-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-090808
O=C(N1CC(CCNc2ccccn2)Cn2cccc2C1)c1cccs1	EMOLS-id_313838113	366.48	KSUMMKSDKJPYQM-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-090809
O=C(N1CC(CCNc2ccccn2)Cn2cccc2C1)c1ccsc1	EMOLS-id_313839393	366.48	ZPEPWWHRUROZQC-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-090810
O=C(Nc1ccn(Cc2ccccn2)n1)c1cc2c(s1)CCCCCC2	EMOLS-id_44562375,MCULE-3552245177,ZINC22_84610190,PC-id_71881006	366.48	HHUBQRPKIRSTJP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-090811
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1ccccc1)C)C1CC1	PC-id_74799729	366.48	GQNFBCIOISLZIL-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-090812
O=C(N)CCn1c2c(c(C[NH2+]Cc3n[nH]c4c3CCCCC4)c1)cccc2	PC-id_52377564	366.48	NIOAZPBRTVKTLH-UHFFFAOYSA-O	00000000100000100101000001100010000000000000000000000000	31-01-090813
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s1c2CCCCCc2cc1C(=O)NC(c1ccccc1)c1nc([nH]n1)C	PC-id_56459048	366.48	DOZDVMZPFURXKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090816
s1c2CCCCCc2cc1C(=O)NCc1cc(Cn2ncnc2)ccc1	PC-id_55751461	366.48	ADUNMMLFUHEFKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090817
s1c2CCCCCCc2cc1C(=O)Nc1c(Cn2ncnc2)cccc1	PC-id_52410283	366.48	GZOXZAGVKQLDNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090818
s1c2CCCCCCc2cc1C(=O)NCc1ccc(n2ncnc2)cc1	PC-id_52619861	366.48	MANMSAGOPNQFKN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-090819
s1c2CCCCCCc2nc1NC(=O)C(n1nccc1)c1ccccc1	PC-id_56226615	366.48	ALBJCMXHUPUNSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090820
S=c1n(N=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)c(=O)c(n[nH]1)C	PC-id_9359161	366.48	UFJOXGSMGPYAAI-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-090821
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1cnn(C(C)C)c1	EMOLS-id_44432199,MCULE-3213967329,PC-id_70729529,ZINC22_82106676	366.482	OGTXOBHDDDDACO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090822
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1nccn1C(C)C	MCULE-3595685211,PC-id_70753414,EMOLS-id_44440623,ZINC22_82121992	366.482	BQNWHGXHWJMTFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090823
c1(CN2CCCn3nc(CNS(=O)(=O)C)cc3C2)cn(nc1C)CC	EMOLS-id_44423361,PC-id_70704519,ZINC22_82083258,MCULE-9729359030	366.482	GRSWKMLRWBUBRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090824
c1(cnn(C)c1C)S(=O)(=O)NCc1cc2n(CCCN(CCC)C2)n1	ZINC22_82097737,PC-id_70720911,MCULE-2469987613,EMOLS-id_44429141	366.482	SGKBWUDMNYBAMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090825
Cc1nn(C)c(C)c1S(=O)(=O)N1Cc2ccnn2C[C@@H](CN(C)C)C1	ZINC22_306133931	366.482	MZQJUXSGQNJBQG-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090826
Cc1nn(C)c(C)c1S(=O)(=O)N1Cc2ccnn2C[C@H](CN(C)C)C1	ZINC22_306133932	366.482	MZQJUXSGQNJBQG-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090827
CC(C)CN1CCCn2nc(CNS(=O)(=O)c3cnn(C)c3)cc2C1	ZINC22_82137718,MCULE-3138238661,PC-id_70767641,EMOLS-id_44445525	366.482	MOLQVJUMPDSLQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090828
CCCN1CCCn2nc(CNS(=O)(=O)c3cnn(CC)c3)cc2C1	EMOLS-id_44426225,MCULE-2487772709,ZINC22_82092219,PC-id_70712495	366.482	PQOOXRDCDLZRDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090829
CC(C)N(C)Cc1ncn2c1CN(S(=O)(=O)c1cn(C)cn1)CCC2	EMOLS-id_44370094,ZINC22_96259274,PC-id_97519358	366.482	ZENBQPIKXONBGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090830
CSCc1noc(CN2CCCn3nc(cc3C2)C(O)CN(C)C)n1	EMOLS-id_55707100,PC-id_91796190,MCULE-4462006349	366.482	FCJJTQWPSZVOIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090831
CSCc1noc(CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)n1	ZINC22_223737354,PC-id_100301441	366.482	FCJJTQWPSZVOIC-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090832
CSCc1noc(CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)n1	ZINC22_230483952	366.482	FCJJTQWPSZVOIC-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090833
O=C(C1CSCN1C(=O)CC(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102162592	366.482	ZHJOJYHAULTUDL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-090834
S(=O)(=O)(NCc1nn2CCCN(Cc2c1)Cc1c(n(nc1C)C)C)C	PC-id_70740695	366.482	OFEORFKVSDVRSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090835
S(=O)(=O)(NCc1nn2c(CN(CCC2)CC(C)C)c1)c1ncn(c1)C	PC-id_70756488	366.482	AFGVKPIOLOXOAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090836
O1CC(C1)(CC)COCCCCCCOc1cc2-c(c1)ccc(cc2)C#C	PC-id_21063087	366.493	MJYJCWKDWQOURB-UHFFFAOYSA-N	00001010100000000110000000000010000000000000000000000000	31-01-090837
O=C(c1c2-c(c(cc(cc2C)C)C)cc1)c1c2-c(c(cc(cc2C)C)C)cc1	PC-id_85538953	366.495	JTSWZDMZRCZILA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090838
COc1ccc(cc1)C1=CCN(CC1)CCCc1onc2c1CCCCC2	SCHEMBL7961243,PC-id_59939360	366.496	JRTSGBXTYKZVHH-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-090839
CC(c1ccc(c2-c(c1)c(C)cc2NC(=O)C(N1CCC1=O)C(C)C)C)C	PC-id_122376561	366.497	RTDFUMGJBVMSSQ-UHFFFAOYSA-N	00001010100000000110000000000010000000000000000000000000	31-01-090840
CCOC(=O)CSCC(=O)Nc1sc2c(c1C#N)CCCCCC2	PC-id_4564879,SPECS-id_AN-153/I189202,MCULE-4304290780	366.498	ZNTPPXKRMZHPBI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090841
N(C(c1c2-c(cc1)ccccc2)C)CCCc1nc(ccc1)c1ccccc1	PC-id_68814147	366.498	MHJXMISSYDCUAA-UHFFFAOYSA-N	00000010100000111110100000000010000000000000000000000000	31-01-090842
N#Cc1c(NC(=O)CC2CCS(=O)(=O)C2)sc2c1CCCCCC2	EMOLS-id_110431584	366.498	HHVBUHBYWGYVSF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-090843
N#Cc1c(sc2c1CCCCCC2)NC(=O)C1(CCC1)S(=O)(=O)C	EMOLS-id_111627489	366.498	FMONABYAWGSNRE-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-090844
N#Cc1c(sc2c1CCCCCC2)NC(=O)C1CCCCS1(=O)=O	EMOLS-id_111059218	366.498	CJWAZIQMWYHTPK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090845
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](CCOC)CCOC)C#N	PC-id_33483731	366.498	DURHZSCFFIXPGO-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-090846
s1c2CCCCCc2c(c1NC(=O)C(SCC(=O)OCC)C)C#N	PC-id_55416769	366.498	YXRJQZYRHOMBBW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090847
s1c2CCCCCc2c(c1NC(=O)CSCC(=O)OC(C)C)C#N	PC-id_60342113	366.498	KJWKHPDPINRXCO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090848
s1c2c(CCCCC2)c(c1NC(=O)C(=S)NC1CC1)C(=O)OCC	PC-id_4591493	366.498	KZWQHMZPYDVCLS-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-090849
c12CN(CCCc3ccccc3)CCCn1nc(CCC(=O)NC1CC1)c2	MCULE-8821942411,EMOLS-id_46058651,PC-id_72884211,ZINC22_91636680	366.5	PWOYYJVFYZBUDA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-090850
c12CN(CCC)CCCn1nc(CNC(=O)CC1CCc3ccccc13)c2	EMOLS-id_44447529,PC-id_70773674,MCULE-8356875189	366.5	TYHDTULGTZAWLU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090851
c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)Cc1ccccc1C	PC-id_72850654,ZINC22_91350894,MCULE-4585099908,EMOLS-id_46034571	366.5	HMJNLMRWFSYKQY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090852
c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)CCc1ccccc1	EMOLS-id_46063931,MCULE-7086980235,ZINC22_91663782,PC-id_72891465	366.5	OEVFQIJBUINQPC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090853
c12CN(CCCn1nc(CCC(=O)NC1CCCC1)c2)Cc1ccccc1	MCULE-3067363867,EMOLS-id_46089077,PC-id_72925910,ZINC22_91965759	366.5	JDYBLBQBCZDTCA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090854
c12CN(CCCn1nc(CCC(=O)NC(C)C)c2)CC=Cc1ccccc1	PC-id_91940652,MCULE-3523717860	366.5	HGVYILWXZLBEBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090855
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cc1C)C	PC-id_70769925,EMOLS-id_44446295,MCULE-5123978609,ZINC22_82138679	366.5	ISAISTLLAASVAZ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090856
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cc1)CC	PC-id_70784615,MCULE-8271509691,EMOLS-id_44451409,ZINC22_82161712	366.5	OENUJAOEIVPEMY-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090857
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccccc1CC	ZINC22_82120249,PC-id_70747291,EMOLS-id_44438483,MCULE-4202681970	366.5	LWFMJJLPCDTXPG-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090858
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(c(C)c1)C	PC-id_70706519,ZINC22_82086767,MCULE-3393327422,EMOLS-id_44424081	366.5	QGCXQDJFMDPDOA-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090859
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cc(C)ccc1C	ZINC22_82121791,EMOLS-id_44440755,MCULE-2412889785,PC-id_70753847	366.5	DLEXPCFKWPLVSW-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090860
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1c(C)cccc1C	ZINC22_82136853,EMOLS-id_44444325,MCULE-7653395333,PC-id_70764350	366.5	YYJNTPHGIUZYDG-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090861
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cc(C)cc(C)c1	MCULE-2145343156,EMOLS-id_44451111,PC-id_70783778,ZINC22_82162402	366.5	WJEFUKMOIDVXAV-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090862
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CC(C)c1ccccc1	EMOLS-id_44441209,PC-id_70755164,MCULE-2477227212	366.5	NBKACLWHSUAFBN-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090863
C1(c2ccc(cc2)C)(C(=O)NCc2cc3n(CCCN(CCC)C3)n2)CC1	EMOLS-id_44451183,ZINC22_82162795,MCULE-8068757005,PC-id_70783995	366.5	JKNZLXZAOMWRMA-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-090864
c1(ccc2CN(CCCn12)Cc1ccccc1)C(=O)N1CCCN(C)CC1	MCULE-4742674647,EMOLS-id_317417050	366.5	KYPPYULHNQQLBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090865
c1(CN(C)C(=O)c2ccc(cc2)C2CCCNC2)c2CCCCCc2[nH]n1	PC-id_72911447,EMOLS-id_46636822,MCULE-7870500935	366.5	GVDJDMPIHQZDAO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090866
c1(CN(C)C(=O)CN2CCC(c3ccccc3)C2)c2CCCCCc2[nH]n1	EMOLS-id_55629378,MCULE-1499575202,PC-id_91769406	366.5	ZTKXCQNHISJLHO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090867
CC1CC(CC(C1)c1ccccc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101709650	366.5	XLQJAZDRMOTXAZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090868
Cc1ccccc1CCC(=O)N1Cc2ccnn2C[C@@H](CN2CCCC2)C1	ZINC22_248175687	366.5	YXEJUEUVFDVVQX-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-090869
Cc1ccccc1CCC(=O)N1Cc2ccnn2C[C@H](CN2CCCC2)C1	ZINC22_248175689	366.5	YXEJUEUVFDVVQX-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090870
Cc1ccccc1CCC(=O)N1CC(CN2CCCC2)Cn2nccc2C1	EMOLS-id_50372931	366.5	YXEJUEUVFDVVQX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090871
CC1CCCC(C1)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_99803846	366.5	XOWGHCRHIARXGE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090872
CC(C(c1cc2c(o1)cccc2)NCCc1nnc2n1CCCCC2)(C)C	PC-id_75518112,MCULE-6141168817,EMOLS-id_49342559	366.5	QWSFVUGUVVJQFH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090873
CCCc1ccc(cc1)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	EMOLS-id_44370176,PC-id_97519399,ZINC22_96259315	366.5	QWZFDXRPGXTBLK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090874
CC(C)(C)[C@@H](NCCc1nnc2n1CCCCC2)c1cc2ccccc2o1	PC-id_97803852,ZINC22_97049257	366.5	QWSFVUGUVVJQFH-NRFANRHFSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090875
CC(C)(C)[C@H](NCCc1nnc2n1CCCCC2)c1cc2ccccc2o1	ZINC22_97049256,PC-id_97803851	366.5	QWSFVUGUVVJQFH-OAQYLSRUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090876
CC(C)(C)CNC(=O)c1c2CN(CCCn2c(n1)C(=C)c1ccccc1)C	SCHEMBL13878499,PC-id_89192082	366.5	PLRQUWSOVXAKTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090877
CCCN1CCCn2nc(CNC(=O)C[C@@H]3CCc4ccccc34)cc2C1	ZINC22_82146325,PC-id_96579990	366.5	TYHDTULGTZAWLU-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090878
CCCN1CCCn2nc(CNC(=O)C[C@H]3CCc4ccccc34)cc2C1	ZINC22_82146328,PC-id_96579991	366.5	TYHDTULGTZAWLU-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090879
CCCN(C/C=C/c1ccccc1)C(=O)CCc1cc2CNCCCn2n1	ZINC22_72475552,EMOLS-id_44856678,PC-id_70774215	366.5	UFTYZOUIHIPSRP-UXBLZVDNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090880
CC(C)NC(=O)CCc1cc2CN(C/C=C/c3ccccc3)CCCn2n1	ZINC22_91847992,EMOLS-id_46080139,PC-id_72913567	366.5	HGVYILWXZLBEBL-UXBLZVDNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090881
C[C@@H](CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)c1ccccc1	ZINC22_82125538,PC-id_96577709	366.5	NBKACLWHSUAFBN-KRWDZBQOSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090882
C[C@H](CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)c1ccccc1	ZINC22_82125542,PC-id_96577710	366.5	NBKACLWHSUAFBN-QGZVFWFLSA-N	00001000100000110101000000000010000000000000000000000000	31-01-090883
CCN(c1ccc(cc1)C(=O)N(C1CCCc2c(C1)cn[nH]2)C1CC1)CC	SCHEMBL19048759	366.5	UIYRZGKMFQAIDC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-090884
Cn1cc2c(c1)C(=O)N(CCC2)CCCN1CCN(CC1)c1ccccc1	SCHEMBL6774533,PC-id_22738054	366.5	ZDVMZIHTMVNZGM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090885
Cn1ncc2c1CCCN(C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1)C2	ZINC22_334114553	366.5	FZCKCSIMYUPNGT-AZUAARDMSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090886
Cn1ncc2c1CCCN(C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1)C2	ZINC22_334114554	366.5	FZCKCSIMYUPNGT-ICSRJNTNSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090887
Cn1ncc2c1CCCN(C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1)C2	ZINC22_334114555	366.5	FZCKCSIMYUPNGT-QUCCMNQESA-N	00000000100010110101100000000010000000000000000000000000	31-01-090888
Cn1ncc2c1CCCN(C(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1)C2	ZINC22_334114556	366.5	FZCKCSIMYUPNGT-UYAOXDASSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090889
CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1ccc([C@@H]2CCCNC2)cc1	ZINC22_95380850	366.5	GVDJDMPIHQZDAO-GOSISDBHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090890
CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1ccc([C@H]2CCCNC2)cc1	ZINC22_95380851	366.5	GVDJDMPIHQZDAO-SFHVURJKSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090891
CN(Cc1n[nH]c2c1CCCCC2)C(=O)CN1CC[C@H](c2ccccc2)C1	PC-id_100037245,ZINC22_219292606	366.5	ZTKXCQNHISJLHO-SFHVURJKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090892
CN(Cc1n[nH]c2c1CCCCC2)C(=O)CN1CC[C@@H](c2ccccc2)C1	ZINC22_219292574,PC-id_100037242	366.5	ZTKXCQNHISJLHO-GOSISDBHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090893
COc1ccc(cc1)C1=CCN(CC1)CCCc1nnc2n1CCCCC2	PC-id_59939421,SCHEMBL7959719	366.5	YXHWWANOYSNZGR-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-090894
n12CCCNCc1cc(CCC(=O)N(CCC)CC=Cc1ccccc1)n2	PC-id_72075007,MCULE-4340738660	366.5	UFTYZOUIHIPSRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090895
n1c(CNC(=O)c2ccc(cc2)CN2CCCCC2)c2c(CCCCC2)[nH]1	EMOLS-id_46631264,PC-id_72900330,MCULE-7267169259,ZINC22_95376509	366.5	ZOUALDJMBYXSHL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090896
n1c(CNC(=O)C2CCCCN2Cc2ccccc2)c2c(CCCCC2)[nH]1	EMOLS-id_68893841,PC-id_118771985,MCULE-6693926281	366.5	PNJSIQLYMGPJJC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090897
n1c(CNC(=O)CN2CCC(CC2)c2ccccc2)c2c(CCCCC2)[nH]1	MCULE-8087393034,EMOLS-id_222780347,ZINC22_670460756	366.5	MWEIXDBMKZZDBJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090898
O=C1N(CCCN2CCN(CC2)c2ccccc2)CCCc2c1ccn2C	PC-id_22737896,SCHEMBL6780756	366.5	RQTLEPRUIXSZHA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090899
O=C(C1CCn2c(CC1)nnc2)N1CCCC(C1)CCCc1ccccc1	EMOLS-id_319365202	366.5	CYFUEZYCCCQOKK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090900
O=C(Cn1cc2CCCCCc2n1)NC1CCN(Cc2ccccc2)CC1	CoCoCo_2192290,CoCoCo_2192291,BindingDB-id_55780,ChEMBL-DNDi_CHEMBL1309079,BindingDB_PC-id_5308540,CHEMBL1309079,PC-id_5308540	366.5	LXXPXDFZUMNNKH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090901
O=C(N1CCCc2c(C1)cnn2C)NCC1(CCC1)c1ccc(c(c1)C)C	EMOLS-id_101695910	366.5	WQLMWQFKUQZEQO-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-090902
O=C(N1CCCc2c(C1)cnn2C)NC(C1(CCCC1)c1ccccc1)C	EMOLS-id_101707901	366.5	RJPKBFPIIFPHFZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090903
O=C(N1CCCc2c(C1)cnn2C)NCC1CCCCC1c1ccccc1	EMOLS-id_101706494,MCULE-7855698717	366.5	FZCKCSIMYUPNGT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090904
O=C(N1CCN(CC1)c1cccc(c1C)C)Cn1cc2c(n1)CCCCC2	CoCoCo_2192241,PC-id_20892416	366.5	IGHMPNLJBWPPOU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090905
O=C(N1CCN(CC1)c1c(ccc(c1)C)C)Cn1nc2c(CCCCC2)c1	PC-id_20892417	366.5	WMFPUFHFYJXJPP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-090906
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCCCN1Cc1ccccc1	ZINC22_299765656	366.5	PNJSIQLYMGPJJC-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090907
O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CCCCN1Cc1ccccc1	ZINC22_299765658	366.5	PNJSIQLYMGPJJC-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090908
CN(C)S(=O)(=O)c1cccc(CSc2nnc3n2CCCCC3)c1	ZINC22_8750286,EMOLS-id_13449356,CoCoCo_3081992,MCULE-7349408978,PC-id_17438879	366.501	RHQDUJCYTIWMRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090909
O=S(=O)(c1cccs1)N1CCCn2cnc(CN3CCCC3)c2C1	PC-id_97519416,ZINC22_96259332,EMOLS-id_44370210	366.501	JUANCKHTHMVTPK-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-090910
CCCCOCCOCCNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111692902	366.502	ZDQUWTJWOHCXNF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090911
COCCOCCCN=C(NCCc1nnc2n1CCCCC2)NCC	PC-id_111405451	366.502	IDRRWZDVIYBOEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090912
COCCOCCCNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111406803	366.502	ZOHPZFZYAJMEBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090913
C1CCN(CC1)C(=NCCc1nnc2n1CCCCC2)Nc1ccccc1	PC-id_111039179	366.503	LPOOXBZTKSXKRB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-090914
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(C1)c1ccccc1	PC-id_111723565	366.503	QJFPWKOTPKYAKP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090915
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CC1)c1ccccc1	PC-id_111857380	366.503	LEQCBEZIKJLYDD-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-090916
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCc2c1cccc2	PC-id_110984226	366.503	UYELFZQRKHLDSV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-090917
CN=C(N1CCC(C1)c1ccccc1C)NCc1nnc2n1CCCCC2	PC-id_119142891	366.503	TTXYEYGVPYCKJD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090918
CN=C(N1CCC(C1)c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111723653	366.503	RDAHJIGQGCBDSH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090919
CN=C(N1CCC(C1)Cc1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111724631	366.503	HMIGNHZXFJOEBK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-090920
CN=C(N1CCC(C1)(C)c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_120059469	366.503	GTFBGFUZJLDXTC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-090921
CN=C(NCC1(CC1)c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111855870	366.503	JHUBCKWOQUZNOD-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-090922
CN=C(NCC1(CCC1)c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111854828	366.503	IDBYFSSGBQGWED-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-090923
Cc1nnc(SCCNC(=O)CCc2cc3CNCCCn3n2)s1	ZINC22_72473806,PC-id_70770525,MCULE-4409954069,EMOLS-id_43160448	366.505	HRGPVSJHERSWQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090924
Cc1c2-c(c(cc2C=CCC(C)C(=C(CC=O)F)C)C)cc(cc1)C(C)C	PC-id_89145497	366.511	YLZAPNGEPBKMBR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090925
O=CC/C(=C(/C(C/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C)C)C)/F	SCHEMBL13674523	366.511	YLZAPNGEPBKMBR-MURVFGIJSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090926
s1c2CCCCCCc2nc1NC(=O)C(OCC1OCCC1)C(C)C	PC-id_56160682	366.518	RPTVUVPGWGKUTA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-090927
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCCCCC2)c1C#N	MCULE-1061121020,EMOLS-id_4044305,PC-id_4102435,TIMTEC170211,ZINC22_2736826,CoCoCo_5815426	366.52	GJQYHWAGWSAIHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090928
s1c2CCCCCCCCCCc2c(c1NC(=O)c1ccccc1)C#N	PC-id_20098694	366.52	ZNERZMNVCWDZAB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090929
S1(=O)(=O)C(CCC(NCC(C)C)c2c1sc(S(=O)(=O)N)c2)C	PC-id_19851616	366.52	FCFIOROAYBEJFT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090930
c12CN(CCCSC)CCCn1nc(CCC(=O)N1CCOCC1)c2	EMOLS-id_46035723,MCULE-2428681439,ZINC22_91380717,PC-id_72852223	366.521	OOAKSKHBGDDJCT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090931
c1(NC(=O)CCC(=O)NCCCCN(C)C)sc2c(CCCCC2)n1	EMOLS-id_335002653,MCULE-2034847634	366.521	CVMVINOQBRBKCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090932
c1(NC(=O)CCC(=O)NCCN(CC)CC)sc2c(CCCCC2)n1	EMOLS-id_335013406,MCULE-6598683744	366.521	VUIHXRGAKJECCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090933
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)CC12CCC(C1)CC2	EMOLS-id_99720825	366.521	FOUNOZILOYYCPF-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-090934
CC(CN1CCOC(C1)CNC(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112825150	366.521	CMWPGMVDRMOQIB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090935
COCCN1CCC(CC1)NC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103713	366.521	SWUSTRHMKFFHIF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090936
O=C(N1CCN(CC1)CC(O)(C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103842	366.521	QBHXSZVOISOHQE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090937
O=C(Nc1nc2c(s1)CCCCC2)NCC(N1CCOCC1)C(C)C	PC-id_112825118	366.521	MZRDUVGZAGFWDJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-090938
c12CN(CCCn1nc(CN(C)C)c2)Cc1ccc(c2ccccc2)s1	MCULE-7188386089,EMOLS-id_43102735,ZINC22_72147892,PC-id_56893191	366.523	PXZXHWDXLIFINM-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-090939
O=C1NCCCCn2nnnc2SCCCCC/C=CCCCCN1	SCHEMBL17278721,PC-id_118528570	366.525	AJNAOTBUFZGJOO-UPHRSURJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-090940
S=c1n(nc2n1CCCCC2)C[NH+]1CC[NH+](CC1)CC(=O)NC1CC1	PC-id_9282016	366.525	MXCSWALXFHITMJ-UHFFFAOYSA-P	00100000100010000101000000000010000000000000000000000000	31-01-090941
O=C(N1C=Nc2c(C(C1)O[Si](C(C)(C)C)(C)C)nc[nH]2)OC(C)(C)C	SCHEMBL13697314,PC-id_70971518	366.531	FJOSGXXYLGULHA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-090942
O=C(N1C=Nc2c([C@@H](C1)O[Si](C(C)(C)C)(C)C)nc[nH]2)OC(C)(C)C	PC-id_10959514,SCHEMBL1469869	366.531	FJOSGXXYLGULHA-GFCCVEGCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-090943
CCc1ccc(c2-c(c1)c(C)cc2CCc1ccc(c2-c(c1)c(C)cc2)C)C	UNPD9352	366.538	SBVNUUZXDWQKGR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090944
c1(NC(=S)NC2CCCC2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-3446438590,ZINC22_5979986,EMOLS-id_4044341,TIMTEC419232,CoCoCo_6799912,PC-id_3269281	366.541	RBGNOSSTFFMQAG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-090945
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCCC1	MCULE-2988869990,ZINC22_5979960,TIMTEC564808,PC-id_3275861,CoCoCo_6799968,EMOLS-id_4044335	366.541	YBVHHUIUDBDIKT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-090946
O[C@H](C[NH+]1CCCCC1)CNC(=O)NCc1cc2c(s1)CCCCC2	GD-id_ZINC51748644	366.541	HUYGGHPJCJWHMJ-INIZCTEOSA-O	00000000100010000100000000000010000000000000000000000000	31-01-090947
s1c2c(CCCCC2)c(c1NC(=S)N1CCC(CC1)C)C(=O)OC	PC-id_19653867	366.541	VGIVOLXVWKSOJJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090948
s1c2c(CCCCC2)c(c1NC(=S)N1CC(CCC1)C)C(=O)OC	PC-id_19653919	366.541	RYQNDPXIVDIGOU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090949
s1c2c(CCCCC2)c(c1NC(=S)N1C(CCCC1)C)C(=O)OC	PC-id_19653977	366.541	LRGSWIQRALJGTE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090950
s1c2c(CCCCC2)c(c1NC(=S)N1CCCCC1)C(=O)OCC	PC-id_19653702	366.541	LWYZIOVOWUWWNB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090951
s1c2c(CCCCC2)c(c1NC(=S)N1CCCCCC1)C(=O)OC	PC-id_19654148	366.541	RLXDWDPUYOVPPH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090952
s1c2c(CCCCC2)c(c1NC(=S)NC1CCCCC1)C(=O)OC	PC-id_19650442	366.541	OAUVMRKZGKDGSU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090953
s1c2c(CCCCCC2)c(c1NC(=S)N1CCCCC1)C(=O)OC	PC-id_19653696	366.541	TUNOPSXPSKTAAP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-090954
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCCC1)C(=O)OC	PC-id_19650426	366.541	WIRLOEMXZVVMRV-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-090955
S1CC(N(C1)C(=O)c1sc2c(CCCCC2)c1)C(=O)NC(C)(C)C	PC-id_56348509	366.541	PTHQTWXTIGHXNR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-090956
CC(CCC=C(C)C)CN1CCc2nnc(CCc3ccccc3)n2CC1	PC-id_45214305,EMOLS-id_20590541,MCULE-9371567242	366.543	UTYZSUAFYIAPMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090957
CC(=CCC[C@H](C)CN1CCc2nnc(CCc3ccccc3)n2CC1)C	PC-id_26355212,ZINC22_14999453,CoCoCo_1404168,CoCoCo_1404166	366.543	UTYZSUAFYIAPMH-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090958
CC(=CCC[C@@H](C)CN1CCc2nnc(CCc3ccccc3)n2CC1)C	ZINC22_14999456,CoCoCo_1404167,CoCoCo_1404169,PC-id_26355214	366.543	UTYZSUAFYIAPMH-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090959
S=c1onc2n1CCCCNCNCCCC/C=CCCCCCC2	SCHEMBL17787842,PC-id_121367144	366.564	RHYFCLVTIGLFJE-RQOWECAXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-090960
CCNC(=NCC(SC)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111610706	366.568	XWAAUTVMBBAMKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090961
CSCCCCNC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_111627880	366.568	IDBMOOUTUFEYLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090962
c1(c(CCCCCCCC)cc2-c1ccc(C(C)C)cc2)CCCCCC	PC-id_19996695	366.622	XKMUIKZGMDBTEJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090963
c1(CCCCCCCC)c(CCCCCC)cc2-c1ccc(C(C)C)cc2	PC-id_19815771	366.622	FOAMXBMKPNUJAS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090964
C(CCCCCc1c2-c(cc1)cc(C(C)C)ccc2)CCCCCCCC	PC-id_19815666	366.622	UOKPDOHYUACLNV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090965
C(CCCCCCCc1c2-c(cc1)ccccc2)CCCCCCCCC	PC-id_19815665	366.622	PIAFFCUVMAAGIV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090966
CCC1=C(C=Cc2n(C1)c(Cl)nn2)Oc1ccccc1Br	SCHEMBL19481226	366.64	UHBVIHPQQFELPZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-090967
Brc1sc2CCN(CCc2c1Cl)C(=O)OC(C)(C)C	SCHEMBL3005357,PC-id_68474569	366.702	NHENQBJBKWHTJY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-090968
COC(=O)c1c(Cl)c(ccc1[N+](=O)[O-])NC1CCn2c(CC1)nnn2	MCULE-9721247153,EMOLS-id_324029823,PC-id_146107485	366.76	UTSPAFFXPFJCFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090969
OC(=O)C(c1ccc(c(c1)F)Cl)NC(=O)c1noc2c1CCCCC2	PC-id_120533545,EMOLS-id_57636643,MCULE-8055813598	366.771	DMHPVTFRXRAUIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090970
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1c(ccc(c1)Cl)[N+](=O)[O-]	PC-id_90625361	366.78	KZCYXWQLZSOYJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090971
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(c(cc1)Cl)[N+](=O)[O-]	PC-id_90625363	366.78	QOBGOIYUJNNOQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090972
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1c(ccc(c1)[N+](=O)[O-])Cl	PC-id_90625362	366.78	XPUFPXKEBIXZKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090973
Cc1ccc(cc2-c1cc(c2Cl)OS(=O)(=O)C(F)(F)F)C(C)C	PC-id_102576496	366.783	YRGFIKZHEXZREG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-090974
Clc1noc(CCC(=O)N2CCCn3nc(cc3C2)CCC(=O)O)c1	PC-id_56891465	366.799	GGCHJZUJYDADLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090975
COc1cc(F)c(c(c1)Cl)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319356128	366.818	NKJIRFLQZHXNQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090976
Cc1nn2c(c1Cl)ncc(c2)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99299329	366.823	DAWOMVPZACSYPO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-090977
COc1c(cc(cc1)Cl)NC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625566	366.823	VBEZNSMGOFZKJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090978
Clc1ccc(cc1)C(=O)c1c(C)c(c2-c1ccc(cc2)C(C)C)C(=O)O	PC-id_139771656	366.837	FIJGXHYYNIEAFA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-090979
Clc1cc(C(=O)NNC(=O)c2sc3CCCCCc3c2)c(F)cc1	PC-id_9092561	366.838	TUKYYIZDQSYRMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090980
Clc1cc(F)c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_9092562	366.838	YXCKLNGDUPYWSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090981
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)ccc(F)c1	PC-id_60387871	366.838	FPNIQSOCVRVEIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090982
Clc1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)ccc(F)c1	PC-id_46657048	366.838	ONPADFPHMVBTRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090983
F/C/1=C/CCCc2n(C/C=C1)c(SCc1ccc(cc1Cl)F)nc2	PC-id_144040935	366.856	SUOFJXFQTGZJTN-NUTJIFLOSA-N	00000000100000110111000000000010000000000000000000000000	31-01-090984
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1c(F)cccc1Cl)C2	ZINC22_220042862,PC-id_100051536	366.861	RLNIUGYVUSTWEL-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090985
CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1c(F)cccc1Cl)C2	ZINC22_220042937,PC-id_100051538	366.861	RLNIUGYVUSTWEL-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090986
CN(C)CC(O)c1cc2CN(Cc3c(F)cccc3Cl)CCCn2n1	PC-id_90649946,MCULE-6979643510,EMOLS-id_50535429	366.861	RLNIUGYVUSTWEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090987
C1CCc2c(C(C1)Cc1cc(ccc1)Cl)[nH]nc2C=CS(=O)(=O)O	PC-id_87747406,SCHEMBL4912814	366.862	CASZFVLPINJODW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090988
Clc1cccc(c1)CC1CCCCc2c1[nH]nc2/C=C/S(=O)(=O)O	SCHEMBL4912809	366.862	CASZFVLPINJODW-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090989
COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)cc(Cl)c1OC	MCULE-4247604393,CoCoCo_4546161,EMOLS-id_17163820,PC-id_24233302,ZINC22_12764261	366.862	IFTCXCQLBHXTJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090990
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)c(Cl)c(nn1C)C	MCULE-6917032579,EMOLS-id_4044568,PC-id_5179047,ZINC22_2765850,CoCoCo_6597530,SPECS-id_AK-968/40940026	366.866	ZPAXFGGGILUCLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-090991
Clc1ccc(s1)C1OCCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319555405	366.866	BSANVKJAZVVERD-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-090992
Clc1cc(NC(=O)CSc2n3CCCCCc3nn2)ccc1OC	PC-id_7877410	366.866	UUGVKSKZMNVSSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090993
Clc1cc(NC(=O)CSc2n3CCCCCc3nn2)c(OC)cc1	PC-id_7877522	366.866	PFMAZWMSWRIICI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090994
CS(=O)Cc1cc(ccc1Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319927049,MCULE-6682203551	366.866	CGZGHZDJNNJEKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090995
NCCc1ccc(c(c1)Br)Sc1nnc2n1CCCCC2	PC-id_108285208	367.307	OIVNTMMNBXBNEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091087
c1(sc2c(CCCCC2)c1C#N)NS(=O)(=O)c1ccc(cc1)Cl	MCULE-3299848056,CoCoCo_5823847,EMOLS-id_8836910,ZINC22_2752411,TIMTEC212579,PC-id_19578712	366.885	IFCRNAYYIPFKCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090996
Clc1ccc(N/N=C/2C(CCSc3sccc23)CC(=O)O)cc1	PC-id_10642703	366.885	FPNACAWSRBVPHZ-XDJHFCHBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090997
Clc1ccc(NN=C2C(CCSc3sccc23)CC(=O)O)cc1	PC-id_85216576	366.885	FPNACAWSRBVPHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-090998
Clc1ccccc1CN1CCc2nnc(CCc3ccccc3)n2CC1	PC-id_28955442,ZINC22_20452148,CoCoCo_1236562,CoCoCo_1236563,MCULE-2024680992,EMOLS-id_20475687	366.887	KLBFPDKGTMSPJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-090999
Clc1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1	PC-id_42539608,CoCoCo_1518573,CoCoCo_1518572,ChEMBL-DNDi_CHEMBL69908858,EMOLS-id_20666219,MCULE-5748966512,ZINC22_12330244	366.887	KOZGTXMSYOHTLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091000
Clc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1	ZINC22_14881612,CoCoCo_1200291,MCULE-5235492674,PC-id_26277221,CoCoCo_1200290,ChEMBL-DNDi_CHEMBL18977877,EMOLS-id_20449979	366.887	VFFNBAXBDUEZAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091001
Clc1cc(CN(Cn2nc3n(CCCCC3)c2=S)C)c(OC)cc1	PC-id_9332336	366.909	GOQRDWMRYGLGKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091002
CCOC(=O)N1CCC2=C(C(=CS2)C)I(C1)C	PC-id_164073149	367.01	WQZHETYTLKJDFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091003
COC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(S2)CCNC(C3)C(=O)O	PC-id_154401796	367.055	FSEZLFFFJAMOKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091004
CN1C2=CC=CC=C2C(=C1C(=O)C(C#N)C3=NN=C4N3CCCCC4)Cl	EMOLS-id_317388069,PC-id_154737019,MCULE-3880823598	367.12	IOECIXCNJBGGAH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091005
[Sn]1(CCCC)(CCCC)C=Cc2c(C=C1)csc2	PC-id_21722382	367.128	NWHROVGVEKRVNN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-091006
[Sn]1(CCCC)(CCCC)C=Cc2c(scc2)C=C1	PC-id_86165478	367.128	CEYNEPIKWKTXPK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-091007
CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)CC3=CC=C(C=C3)N	PC-id_161377297	367.161	VRFWQKMBLLDZAF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-091008
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)C(=O)C=[N+]=[N-])C2)C	PC-id_161427025	367.164	FIJJATUQIZSKGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091009
Brc1ccc2-c(c(c(O)c2C(=O)OCC)C(=O)OCC)cc1	PC-id_13620777	367.191	VOYQPRPCNXCSOY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-091010
CCOC(=O)c1c2-c(c(c1OC)C(=O)OC)cc(ccc2)Br	PC-id_141346785	367.191	OFSPLLFHIBMSSY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-091011
Brc1ccccc1CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_71569659,SCHEMBL14965623	367.198	WTAKQIMWQYWNGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091012
Brc1cccc(c1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965699,PC-id_71569661	367.198	WIGPUBLUHGALSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091013
Brc1ccc(cc1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965999,PC-id_71569660	367.198	ZUWRNFPKCZETJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091014
O=C(c1cc(Br)c(nc1C)O)NC1CCn2c(CC1)nnn2	EMOLS-id_102176555	367.201	PBFBFTBWCLYWAD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091015
BrC1CC(F)Cc2nn(cc2C1=O)Cc1ccc(OC)cc1	SCHEMBL7684049,PC-id_70161741	367.213	VPXSGYRKOQZWGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091016
Brc1ccc(c(c1)F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845855	367.216	CFKVWGNIROFHDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091018
Brc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101943330	367.216	UQZRSIRSZFGEPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091019
Brc1cc(F)c(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266384	367.216	JBQPLCLTJRKEJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091020
Brc1c(C(=O)NCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_51266356	367.216	HCPJANSMHJLQPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091021
Fc1ccc(c(c1)Br)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101951934	367.216	YRRRIATXTLFJON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091022
Fc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)Br	EMOLS-id_101955309	367.216	RAYKBRZYAGQIFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091023
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)Br)F	EMOLS-id_101959570	367.216	XYRPOQMAUKLVGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091024
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)F)Br	EMOLS-id_101950101	367.216	ZCZHJCIYHWNIJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091025
O=C(NCc1nnc2n1CCCCC2)c1cc(F)cc(Br)c1	ZINC22_60502214,PC-id_119041094,MCULE-5147879683,EMOLS-id_75968470	367.216	RGWBUZOGROPKTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091026
O=C(NCc1nnc2n1CCCCC2)c1cc(F)ccc1Br	PC-id_45859673,MCULE-1166290439,EMOLS-id_30238405,ZINC22_40012931	367.216	BWAPOEBQBVMAIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091027
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(cnc1)Br	PC-id_90625294	367.221	CZZKUQMJLGYTIC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091028
Ic1ccc(Cn2cc3C(O)CCCCc3c2)cc1	PC-id_83208248	367.225	FWKBTXMNRHEGCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091029
N#Cc1ccc(c(c1Br)F)Sc1nnc2n1CCCCC2	PC-id_107536860	367.239	VPCNNPDZNDVJIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091030
Brc1ccc(o1)CN1CCn2c(CC1)nn(c2=O)CC1CC1	MCULE-7693157430,EMOLS-id_50590049,PC-id_91922462	367.241	CLWLTHSLDWAPDV-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-091031
Brc1c(n[nH]c1C)C(=O)NCCc1n2CCCCCc2nn1	PC-id_56002249	367.244	UINCXHYKLLRGHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091032
Cn1nc(c(c1)Br)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101698271	367.244	YWKIISJXPMXGHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091033
O=C(N1CCCc2c(C1)cnn2C)Nc1n(C)nc(c1Br)C	EMOLS-id_316472450,MCULE-9250151213	367.244	QGSQQTJSEFILAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091034
Brc1cc(CNCCc2n3CCCCCc3nn2)c(F)cc1	PC-id_56132479	367.259	ZDURZPHFSYRMAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091035
Brc1c[nH]c(=O)c(c1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98692262	367.261	XTBDBJQVYXLBSK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-091036
CC(Cc1ccc(cc1Cl)Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319349408	367.273	YGTVSHLSKORBBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091037
CC(N(C(=O)C1CCn2c(CC1)nnc2)C)c1ccc(c(c1)Cl)Cl	EMOLS-id_320184953,MCULE-1851714486	367.273	KLDFGDBCIOAHFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091038
CCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc(c(c1)Cl)Cl	EMOLS-id_320273400,MCULE-9013070313	367.273	IZMOUTQMSYFEMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091039
Clc1ccc(c(c1)[C@H](NC(=O)N1CCCc2c(C1)cnn2C)C)Cl	EMOLS-id_101710001	367.273	MULLFWZCKCRALY-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091040
Clc1ccc(c(c1)Cl)[C@@H](NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101689814	367.273	YAESUOVLUVXJQL-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-091041
Clc1ccc(c(c1)Cl)C(N(C(=O)C1CCn2c(CC1)nnc2)C)C	EMOLS-id_320138625,MCULE-1991539331	367.273	DNZGPJBTWPHWSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091042
Clc1c(CC(=O)NCCc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_51304493	367.273	GIJCPXYLDNEQFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091043
Clc1c(CC(=O)NCCc2n3CCCCCc3nn2)c(Cl)ccc1	PC-id_51304496	367.273	QUAVTSDKLHDDGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091044
O=C(Cc1ccc(c(c1)Cl)Cl)NCCc1nnc2n1CCCCC2	EMOLS-id_318431285	367.273	KEJXTJQETVGBLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091045
O=C(N1CCCc2c(C1)cnn2C)NC(c1cccc(c1Cl)Cl)C	EMOLS-id_101721300	367.273	VUVNDAAXTBEXNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091046
Brc1ccc(c(c1)CC(=O)c1cc2c(s1)CCCCC2)F	PC-id_114967083	367.276	MHUHMYQMWMNCHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091047
Brc1ccc(c(c1)F)CC(=O)c1cc2c(s1)CCCCC2	PC-id_114968501	367.276	ITIJOXYWUOHANM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091048
Fc1cc(Br)cc(c1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_115786704	367.276	JTQONIOGQBSOSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091049
Fc1ccc(c(c1)Br)CC(=O)c1cc2c(s1)CCCCC2	PC-id_114968004	367.276	FUWUAPOYLRCKGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091050
Fc1ccc(c(c1)CC(=O)c1cc2c(s1)CCCCC2)Br	PC-id_114968178	367.276	RYTGUCYCZQTUEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091051
O=C(c1cc2c(s1)CCCCC2)Cc1ccc(c(c1)Br)F	PC-id_114964799	367.276	QYXXVOAUPMMXSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091052
O=C(c1cc2c(s1)CCCCC2)Cc1cccc(c1Br)F	PC-id_115790070	367.276	YZENRFFXWBVMBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091053
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCCCC2)n1	MCULE-7754834216	367.293	IXKJGAXULQFPKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091054
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCCCC2)n1	MCULE-5679577519	367.293	FABVJUITKUNDNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091055
Clc1ccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)cc1Cl	EMOLS-id_334602870	367.293	FABVJUITKUNDNC-VQHVLOKHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091056
Clc1ccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)c(Cl)c1	EMOLS-id_334604916	367.293	IXKJGAXULQFPKO-VQHVLOKHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091057
Clc1c(C=NNC(=O)c2sc3CCCCCc3c2)c(Cl)ccc1	PC-id_78620864	367.293	AUDZGAXZFAFSAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091058
Brc1cc(C(O)c2sc3c(CCCCC3)c2)ccc1OC	PC-id_61100654	367.301	VHCABLWYUPPQGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091059
Brc1cc(C(O)c2sc3c(CCCCC3)c2)c(OC)cc1	PC-id_63428450	367.301	ZGJBUDCYCYTTGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091060
O=C(c1cc2c(s1)CCCCC2)Cc1n(C)nc(c1Br)C	PC-id_114982204	367.304	NRHCYWLUHFLLIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091065
Brc1ccc(C(Sc2n3CCCCCc3nn2)CN)cc1	PC-id_61616712	367.307	ZUVKKIZOMWUNAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091066
Brc1ccc(NCCSc2n3CCCCCc3nn2)cc1	PC-id_62578145	367.307	OIRIWLNQSCLSMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091067
Brc1cc(c(Sc2n3CCCCCc3nn2)cc1)C(N)C	PC-id_82955903	367.307	HBCVRFGAPRNGRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091068
Brc1cc(C(Sc2n3CCCCCc3nn2)CN)ccc1	PC-id_61619438	367.307	VYFHZOQLBVLEIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091069
Brc1cc(NCCSc2n3CCCCCc3nn2)ccc1	PC-id_62578794	367.307	HVVNXGRXDCPVTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091070
Brc1cc(Sc2n3CCCCCc3nn2)c(CCN)cc1	PC-id_63820304	367.307	LBYPNVXONMOBKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091071
Brc1cc(Sc2n3CCCCCc3nn2)c(CNC)cc1	PC-id_63806152	367.307	WEMPDLRKOZQBFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091072
Brc1cc(Sc2n3CCCCCc3nn2)c(C(N)C)cc1	PC-id_82955909	367.307	VOPKESGATOHUGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091073
Brc1c(C(Sc2n3CCCCCc3nn2)CN)cccc1	PC-id_61621494	367.307	PYHIMLIXPAOHIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091074
Brc1c(NCCSc2n3CCCCCc3nn2)cccc1	PC-id_62579207	367.307	KGKDADLUEZPVNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091075
Brc1c(Sc2n3CCCCCc3nn2)ccc([C@@H](N)C)c1	PC-id_63370239	367.307	QEEFUEJCFTZOEB-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-091076
Brc1c(Sc2n3CCCCCc3nn2)ccc([C@H](N)C)c1	PC-id_78938007	367.307	QEEFUEJCFTZOEB-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091077
Brc1c(Sc2n3CCCCCc3nn2)ccc(C(N)C)c1	PC-id_62911062	367.307	QEEFUEJCFTZOEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091078
CC(c1ccc(cc1Br)Sc1nnc2n1CCCCC2)N	PC-id_108337785	367.307	XQSFHOGEHFYRTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091079
C[C@@H](c1ccc(cc1Br)Sc1nnc2n1CCCCC2)N	PC-id_108337784	367.307	XQSFHOGEHFYRTI-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-091080
C[C@H](c1ccc(cc1Br)Sc1nnc2n1CCCCC2)N	PC-id_108337786	367.307	XQSFHOGEHFYRTI-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091081
CNCc1cc(Br)ccc1Sc1nnc2n1CCCCC2	PC-id_108275259	367.307	XJHYZTOMIXMOQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091082
CNCc1ccc(cc1Br)Sc1nnc2n1CCCCC2	PC-id_108266792	367.307	IFEXZJRUOUCTJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091083
CNCc1ccc(c(c1)Br)Sc1nnc2n1CCCCC2	PC-id_108284369	367.307	SVEYSVKBHNERTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091084
NCCc1cc(Br)ccc1Sc1nnc2n1CCCCC2	PC-id_108276103	367.307	XKAVLGGMSPZFHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091085
NCCc1ccc(cc1Br)Sc1nnc2n1CCCCC2	PC-id_108267630	367.307	LWCZNPNVQFLZDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091086
BrC(c1sc2c(CCCCC2)c1)c1cc(c(F)c(c1)C)C	PC-id_65296914	367.319	KKDREOTUXHDPSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091088
Fc1cc(C)c(c(c1)C)C(c1cc2c(s1)CCCCC2)Br	PC-id_106879886	367.319	VFYRTGCCLKCTBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091089
Brc1cc(Cc2c3-c(c(c2)CC)cccc(c3)C(C)C)ccc1	SCHEMBL14590063,PC-id_58786142	367.322	JDHGHXVSBBZNLA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-091090
C1Cn2cc(cc2C(=O)N(C1)Cc1ccc(cc1)C(F)(F)F)C(=O)NO	PC-id_88894969,SCHEMBL12234579	367.322	KUJKEEKLXMOOIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091091
FC(F)(F)c1ccc(C(=O)N2CCCn3c(C2)cc(c3)C(=O)NO)cc1	SCHEMBL12210528,PC-id_58465754	367.322	SGMQVNVUESDIDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091092
CCCCCNC1=CC(CNc2n1ncc2Br)/C(=C/CC)/C	PC-id_143440819	367.327	XCJRLONCADUWLD-MDWZMJQESA-N	00000000100000000111000000000010000000000000000000000000	31-01-091093
Brc1cc(sc1)Cn1cc2C(NCCC)CCCCc2c1	PC-id_83209492	367.347	DCUIIQWZEMMKLS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-091094
Brc1c(scc1)Cn1cc2C(NCCC)CCCCc2c1	PC-id_83209491	367.347	VFKHLQQZWCCBCQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-091095
Brc1sc(Cn2cc3C(NCCC)CCCCc3c2)cc1	PC-id_83210965	367.347	SEARPFMKQWNMBN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-091096
n1c(C(CO)O)cc2CN(CCCn12)C(=O)c1ccc(cc1)OC(F)F	EMOLS-id_50547769,PC-id_90653297,MCULE-4553256554	367.347	BGUZNDNHQBKSET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091097
O=C(c1ccc(OC(F)F)cc1)N1CCCn2nc([C@H](O)CO)cc2C1	PC-id_100067576,ZINC22_221383104	367.347	BGUZNDNHQBKSET-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091098
O=C(c1ccc(OC(F)F)cc1)N1CCCn2nc([C@@H](O)CO)cc2C1	ZINC22_221383159,PC-id_100067577	367.347	BGUZNDNHQBKSET-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091099
COC(=O)C1=NN(Cc2ccccc2)C(=O)n2c(C=C1C(=O)OC)ccc2	PC-id_101042604	367.355	DUEBJCOEUFETHY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-091100
O=C(O)c1cn(c2cccc(NC(=O)c3noc4c3CCCCC4)c2)nn1	EMOLS-id_72452388,MCULE-5782743728,ZINC22_263495941,PC-id_121870122	367.359	XTLUFGQVUANUNG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091101
CCCN1CC(=O)NCC(=O)NC(=O)NC(=O)Nc2nnc(C1CC)o2	PC-id_137084522,SCHEMBL18652927	367.36	AAUSGTHXMWHJBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091102
c1(C(=O)NCc2ccon2)cn2c(CCN(CC2)C(=O)c2cnccn2)n1	ZINC22_1875242139,MCULE-1299397866,EMOLS-id_331109380	367.362	KFQPBBBMLKVKKT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091103
O=C1Nc2cnn(c2OC[C@@H]1NC(=O)c1nnc([nH]1)Cc1ccccc1)C	SCHEMBL19659458	367.362	FDSPFTNGTMZCTB-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091104
O=C1Nc2c(OC[C@@H]1NC(=O)c1nnc([nH]1)Cc1ccccc1)ncn2C	SCHEMBL19037403	367.362	JHBQSHMUZUXMAW-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-091105
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cc(OC)ccc1	PC-id_19523624	367.366	CRMZTOLVAVJENA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091106
N#Cc1c(C#Cc2ccc(cc2)N)n(c2=CC(=CCC=c12)C(F)(F)F)CC	PC-id_143184823	367.367	MRJPXHLBFQKNGG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-091107
FC(F)(F)c1ccc(CN2CCn3c(nnc3CNC(=O)C)CC2)cc1	PC-id_30852796	367.369	YYXMSTNFAGAJQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091108
FC(F)(F)c1ccc(NC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_52188584	367.369	VXBOLQJADPXVFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091109
FC(F)(F)c1c(NC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_52186436	367.369	WYGOVXLXDQJARF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091110
CC1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353352	367.37	FWHRMLDIHYSOKN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-091111
FC(c1ccc(s1)S(=O)(=O)NC1CCn2c(CC1)nnn2)(F)F	EMOLS-id_102028646	367.37	HDGPIHCPJZYJDD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-091112
c1(C(=O)Nc2cccnc2Oc2ccc(cc2)F)cn2c(CCNCC2)n1	MCULE-1682097806,EMOLS-id_330445344,ZINC22_1857725286	367.377	OIRDNJIRWVPDLI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-091113
Fc1ccc(cc1)Oc1ccc(cn1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320082677,MCULE-5411028574	367.377	SMDYCSLFDMVHJM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-091114
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)c2cc[nH]c2)c1	ZINC22_1565544876,EMOLS-id_313763789	367.377	ABDMPPFVHJEDBN-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-091115
O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1CCc2nncn2CC1	ZINC22_878246869	367.377	SMDYCSLFDMVHJM-CYBMUJFWSA-N	00000000100000111101000000000010000000000000000000000000	31-01-091116
O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1CCc2nncn2CC1	ZINC22_878246871	367.377	SMDYCSLFDMVHJM-ZDUSSCGKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-091117
S(Cc1nn(c2c1ccccc2=O)C)c1[nH]c2c(n1)ccc([N+](=O)[O-])c2	PC-id_10021862	367.382	MWKMYMWEYUKDIP-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-091118
OC(=O)CCc1cc2CN(CCCn2n1)S(=O)(=O)c1ccccc1F	MCULE-9068941556,ZINC22_72424927,EMOLS-id_43107527,PC-id_70733955	367.395	RWHRXFHOJWZHQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091119
CC(C)(C)OC(=O)NC(CC=CC1CCCCc2noc(=O)n12)C(=O)O	PC-id_88042599	367.397	NUAHNQRIKRNWMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091120
o1nc2n(C(CCCC2)C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1=O	SCHEMBL6794085,PC-id_69897381	367.397	NUAHNQRIKRNWMS-KIYNQFGBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091121
o1nc2n(C(CC([N+](=O)[O-])(CCC(=O)C)CCC(=O)C)CCCC2)c1=O	PC-id_22901417	367.397	LETMOPDXYZTUKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091122
O=C(OC(C)(C)C)N[C@H](C(=O)O)C/C=CC1CCCCc2n1c(=O)on2	SCHEMBL6794078	367.397	NUAHNQRIKRNWMS-AUGAEATJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091123
c1(C(=O)Nc2onc(c3ccccc3OCC)c2)c2CCCCCc2on1	TIMTEC541131,MCULE-6920854907,EMOLS-id_21980693,PC-id_17254389,ZINC22_20190280	367.398	XBLGEQKGSRXJKT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091124
CCOc1ccccc1NC(=O)C(C#N)C(=O)c1noc2c1CCCCC2	PC-id_86817615,MCULE-9749681180,EMOLS-id_49966798	367.398	WTQWMQJIEKTWIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091125
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1noc2c1CCCCC2	PC-id_99707124,ZINC22_158798935	367.398	WTQWMQJIEKTWIO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091126
CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1noc2c1CCCCC2	ZINC22_158799090,PC-id_99707126	367.398	WTQWMQJIEKTWIO-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091127
OC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c1noc2c1CCCCC2	PC-id_120519003,EMOLS-id_57597195,MCULE-8427669583	367.398	IZWZVUHPLSBRDW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091128
c12C(CCCCn1nnn2)C(=O)NCCS(=O)(=O)c1ccc(cc1)F	EMOLS-id_49654684,PC-id_74237827,MCULE-2466562222	367.399	SOWGIQUIRIBFPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091129
O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@H]1CCCCn2nnnc12	PC-id_97902714,ZINC22_97527878	367.399	SOWGIQUIRIBFPB-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091130
O=C(NCCS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCCCn2nnnc12	ZINC22_97527877,PC-id_97902713	367.399	SOWGIQUIRIBFPB-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091131
CC(C)(C)C1C(CN1C(=O)O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965740,PC-id_89580138	367.4	PTLIBEFZXFYJBR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-091132
O=C(N1CC(C1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-])OC(C)(C)C	SCHEMBL14965275,PC-id_71570449	367.4	QIDMDPIECIEAGB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-091133
[PH+](CCC1n2c(noc2=O)CCCC1)(c1ccccc1)c1ccccc1	PC-id_72647668	367.401	DAEWVECBVQVFHP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-091134
[PH+](CC[C@@H]1n2c(noc2=O)CCCC1)(c1ccccc1)c1ccccc1	PC-id_60100635	367.401	DAEWVECBVQVFHP-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-091135
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc2c(c1)nc([nH]2)C	ZINC22_72421021,EMOLS-id_43098041,PC-id_56892079,MCULE-8881505875	367.402	RYNXHEHLMQSHNR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091136
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Cn1cc2c(cccc2)n1	ZINC22_72407549,PC-id_56886968,EMOLS-id_43077123,MCULE-9766872588	367.402	ICZBJUILCUBAEB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091137
c12n(CC3CC3)cnc1c(=O)[nH]c(N(C)Cc1cccc(OC)c1)nc2=O	EMOLS-id_24856005,MCULE-7810460820,ZINC22_23232247,PC-id_30937182,CoCoCo_1298087	367.402	ZJQCILCWEZDJBZ-UHFFFAOYSA-N	00100000100000110111000000000010000000000000000000000000	31-01-091138
C1C(Cn2c(cc(n2)C(=O)NCCCn2ccc3ccccc23)C(=O)N1)O	PC-id_135103723	367.402	PRQWLXOPYZHDGQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091139
C1CN(CCn2c1nn(c2=O)Cc1ccccc1)C(=O)NCc1ccco1	PC-id_91922524	367.402	LHMPHKNKCYWVJL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-091140
c1(C(=O)NCCO)cc2n(CCCN(C2)C(=O)c2cc3c(cccc3)[nH]2)n1	PC-id_50959725,EMOLS-id_32390178,MCULE-8075605391,ZINC22_67740670	367.402	IDTSISOCEIGGAQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091141
Cc1noc(n1)CN1CCCC(=O)c2cn(nc12)Cc1ccc(cc1)OC	PC-id_89705495,SCHEMBL15130297	367.402	PPKFWLNXHXKTIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091142
CCOC(=O)c1nc2n(c1NC(=O)c1cnc3n1CCCCC3)cccc2	EMOLS-id_278178067	367.402	NLHNRQQCRNSUSN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091143
CC(=O)N1CCCn2c(C1)cc(n2)CNC(=O)c1ccc2c(c1)oc(n2)C	EMOLS-id_44435183,MCULE-5757302701,PC-id_70738033	367.402	NSBHKRHORSTVJN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091144
CN(C(=O)C1CCn2c(CC1)nnc2)CCN1C(=O)c2c(C1=O)cccc2	EMOLS-id_319858843,MCULE-7868728581	367.402	RRDXPZDWXBJFKW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091145
COc1ccc(cc1)c1noc(c1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319823075,MCULE-9953119125	367.402	UCYUQPOOWCRWCW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091146
COc1ccccc1c1noc(c1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319889521,MCULE-7992864960	367.402	PRAVCGUTSIWSBH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091147
O1CC(CC)(CC)COc2c1c(n(c2C(=O)OCC)CC)C(=O)OCC	PC-id_20726173	367.437	JZEIEKDZICYYSK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091263
COc1ccc(cc1)Cn1ncc2c1N(CCCC2=O)Cc1noc(n1)C	PC-id_117701872,SCHEMBL16243115	367.402	YCNOBXJVJYCLFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091148
COCc1ccc(C(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)o1	ZINC22_82160754,PC-id_70782583,EMOLS-id_44450679,MCULE-5811691433	367.402	STJXIHYTKDMMKM-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-091149
n12CCC(CCc1nn(Cc1ccncc1)c2=O)C(=O)NCc1ccco1	EMOLS-id_207877071,MCULE-4881387805	367.402	KRBXIXHYSCRXQN-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-091150
n1c(c2ccccc2)onc1CN1CCCn2nc(CCC(=O)O)cc2C1	MCULE-9387658467,ZINC22_72418820,PC-id_56891028,EMOLS-id_43093837	367.402	XJMNFFUAJMNJOF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091151
Oc1cccc(c1)c1onc(c1)C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319786999	367.402	LVCIVUNXNPONMZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091152
O=c1n2CCCCCc2nn1C(c1ccccc1)C(=O)Nc1noc(c1)C	PC-id_17399868	367.402	KXIBBSHIKLBDHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091153
O=C(Nc1ccccc1)C1CN(Cc2ncnn2C1)C(=O)[C@@H]1[C@H]2COC[C@@H]12	EMOLS-id_313724886	367.402	DISOVFDVEWYZAS-FYWXBPDSSA-N	00100010100000110101010000000010000000000000000000000000	31-01-091154
O=C(Nc1ccccc1)[C@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@@H]23)Cc2ncnn2C1	ZINC22_1565545347	367.402	DISOVFDVEWYZAS-MKVSYHDVSA-N	00100010100000110101010000000010000000000000000000000000	31-01-091155
O=C(Nc1ccccc1)[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@@H]23)Cc2ncnn2C1	ZINC22_1565545349	367.402	DISOVFDVEWYZAS-UTXMOHQDSA-N	00100010100000110101010000000010000000000000000000000000	31-01-091156
O=C(Nc1cccnc1)c1ncn2c1CN(C(=O)[C@@H]1[C@H]3COC[C@@H]13)CCC2	ZINC22_1565546084,EMOLS-id_313786938	367.402	SPCKNSKUPCOAGC-FOLVSLTJSA-N	00100010100000101101010000000010000000000000000000000000	31-01-091157
O=C(NCCc1n2CCCCCc2nn1)C1C=CC(=NC1=O)c1occc1	PC-id_76305814	367.402	GVMMHGDMJWJBEW-UHFFFAOYSA-N	00000000101011000101100000000010000000000000000000000000	31-01-091158
O=C(NCCc1n2CCCCCc2nn1)c1c(=O)[nH]c(cc1)c1occc1	PC-id_56164883	367.402	HVQHDBRUAFCMKT-UHFFFAOYSA-N	00000000101000101101100000000010000000000000000000000000	31-01-091159
c12C(CCCCn1nnn2)C(=O)NCc1cnn(c2ccccc2OC)c1	PC-id_118792016,MCULE-4109677393,EMOLS-id_68934069	367.405	NEOPNGYCRHPBFA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091160
c12C(CCCCn1nnn2)C(=O)NCc1cnn(c2cccc(OC)c2)c1	EMOLS-id_68915282,PC-id_118782514,MCULE-5625007201	367.405	GVLABDDNNXMNIC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091161
c12C(CCCCn1nnn2)C(=O)NCCc1onc(c2ccc(cc2)C)n1	MCULE-6860960774,PC-id_118795341,EMOLS-id_68940517	367.405	HYCWABFKWKTTEM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091162
c12C(CCCCn1nnn2)C(=O)NCCc1onc(Cc2ccccc2)n1	MCULE-6019765990,EMOLS-id_68924152,PC-id_118787041	367.405	NKTQRYHGFPNDHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091163
c12CN(CCCn1nc(CNC(=O)c1ccc(nc1)C#N)c2)C(=O)N(C)C	PC-id_70715725,MCULE-7366153405,EMOLS-id_44427347,ZINC22_82096399	367.405	FRNRBLBFBTXPKG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091164
c1(c(C)[nH][nH]c1=O)CC(=O)N1CCn2c(CC1)nnc2Cc1cccnc1	MCULE-1329869751,ZINC22_299756037,PC-id_118769969,EMOLS-id_68889650	367.405	AOUUMMVYPLGNRB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091165
c1(C(=O)N2CCn3c(CC2)nc(Cc2ccccc2)n3)nn(c(OC)n1)C	MCULE-7032379638,EMOLS-id_337799997,ZINC22_2356149234	367.405	PYMFWNCLSDBFKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091166
c1(C(=O)N2CCn3c(CC2)nc(CCc2ccccc2)n3)nn(c(=O)[nH]1)C	MCULE-2189778004,ZINC22_2356162627,EMOLS-id_337783664	367.405	HEWWFWXXUWGRCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091167
c1(C(=O)N(C)C)cn2c(CCN(CC2)C(=O)Cn2nc3c(cccc3)n2)n1	EMOLS-id_331148052,ZINC22_1875248128,MCULE-7026526397	367.405	YPTHQTIKCSOFNY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091168
Cc1ccc(c2noc(CCNC(=O)[C@H]3CCCCn4nnnc34)n2)cc1	ZINC22_299793821	367.405	HYCWABFKWKTTEM-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091169
Cc1ccc(c2noc(CCNC(=O)[C@@H]3CCCCn4nnnc34)n2)cc1	ZINC22_299793839	367.405	HYCWABFKWKTTEM-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091170
Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)no1	ZINC22_306134693	367.405	NVLNQFWTZNPZPZ-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091171
Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CCNc3ncccn3)C2)no1	ZINC22_306134694	367.405	NVLNQFWTZNPZPZ-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091172
Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)on1	ZINC22_306124574	367.405	BTUTZXDFCHVZEE-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091173
Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CCNc3ncccn3)C2)on1	ZINC22_306124575	367.405	BTUTZXDFCHVZEE-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091174
Cc1cc(NC(=O)NCc2nnc3n2CCOCC3)nn1c1ccccc1	ZINC22_1615590964,EMOLS-id_320321216,MCULE-8964115893,PC-id_164633792	367.405	NEBMUSOKFXATGN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091175
Cc1cc(no1)C(=O)N1CC(CCNc2ncccn2)Cn2nccc2C1	EMOLS-id_50376765	367.405	NVLNQFWTZNPZPZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091176
Cc1cc(on1)C(=O)N1CC(CCNc2ncccn2)Cn2nccc2C1	EMOLS-id_50372425	367.405	BTUTZXDFCHVZEE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091177
Cc1cnnn1Cc1ncn2c1CN(C(=O)c1cc(C3CC3)on1)CCC2	EMOLS-id_313731804,ZINC22_1565549811	367.405	DWNFJLQAXDUUHT-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-091178
Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_306131023	367.405	JUXHHPAUOUKVFY-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091179
Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_306131024	367.405	JUXHHPAUOUKVFY-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091180
Cc1noc(C)c1C(=O)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_55741186	367.405	JUXHHPAUOUKVFY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091181
CC(O)c1cc2CN(CCCn2n1)C(=O)c1ccc(cc1)c1nnn(C)n1	PC-id_91759733,EMOLS-id_55602034,MCULE-6793079975	367.405	WJLLKJGCHZGINC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091182
CC(=O)N1CCCn2c(C1)cc(n2)CNC(=O)c1c(C)nc2n1cccn2	PC-id_70772944,EMOLS-id_44447291,MCULE-6529547540	367.405	GSMORSDJUJYMPN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091183
Cn1nnc(n1)c1ccc(cc1)C(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_100000440	367.405	WJLLKJGCHZGINC-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091184
Cn1nnc(n1)c1ccc(cc1)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_100000445	367.405	WJLLKJGCHZGINC-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091185
COc1ccc(cc1)Cn1cc(cn1)NC(=O)C1CCc2nnnn2CC1	MCULE-7343697004,EMOLS-id_316884410,PC-id_136549945	367.405	WUKKCJQCAUQYDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091186
COc1ccccc1n1cc(CNC(=O)[C@H]2CCCCn3nnnc23)cn1	ZINC22_299796041	367.405	NEOPNGYCRHPBFA-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091187
COc1ccccc1n1cc(CNC(=O)[C@@H]2CCCCn3nnnc23)cn1	ZINC22_299796056	367.405	NEOPNGYCRHPBFA-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091188
COc1cccc(c2cc(NC(=O)[C@@H]3CCc4nnnn4CC3)n(C)n2)c1	ZINC22_521255516	367.405	FGLHXFNZQKWIBZ-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091189
COc1cccc(c2cc(NC(=O)[C@H]3CCc4nnnn4CC3)n(C)n2)c1	ZINC22_521255517	367.405	FGLHXFNZQKWIBZ-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091190
COc1cccc(n2cc(CNC(=O)[C@H]3CCCCn4nnnc34)cn2)c1	ZINC22_299773392	367.405	GVLABDDNNXMNIC-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091191
COc1cccc(n2cc(CNC(=O)[C@@H]3CCCCn4nnnc34)cn2)c1	ZINC22_299773393	367.405	GVLABDDNNXMNIC-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091192
COc1ccc(Cn2cc(NC(=O)[C@H]3CCc4nnnn4CC3)cn2)cc1	ZINC22_652032752	367.405	WUKKCJQCAUQYDE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091193
COc1ccc(Cn2cc(NC(=O)[C@@H]3CCc4nnnn4CC3)cn2)cc1	ZINC22_652032753	367.405	WUKKCJQCAUQYDE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091194
COc1cnccc1C(=O)N1CCCn2cnc(Cn3nncc3C)c2C1	ZINC22_1565545498,EMOLS-id_313732060	367.405	HLOQCHMVMHWAQU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091195
COC(=O)c1n[nH]cc1CN1CCc2nnc(Cc3cccnc3)n2CC1	EMOLS-id_43157214,PC-id_56909198,MCULE-6986926058,ZINC22_72161907	367.405	REXXWPABGUAQLT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091196
n1(c2ccc(cc2)OCC(=O)NCc2c3CCCCCc3[nH]n2)cnnn1	EMOLS-id_55606022,PC-id_91761115,MCULE-2292906763	367.405	WQSGSBJDXDVSKS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091197
n1c(Cc2ccccc2)nn2CCN(C(=O)CCc3n[nH]c(=O)[nH]3)CCc12	ZINC22_2356163285,MCULE-4977123656,EMOLS-id_337783925	367.405	WLYKBLVYUGJPLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091198
n1c(CCC(=O)NCc2cc3n(CCCNC3)n2)onc1c1cccnc1	EMOLS-id_44429347,ZINC22_82097883,PC-id_70721478,MCULE-4289997730	367.405	FCYPQHPWUVVUMS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-091199
O=C1C(CCn2c(N1C)ncc2)NC(c1nnn(c1)Cc1ccccc1)O	PC-id_145225630	367.405	HUAGXPLZNVHFOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091200
O=C1C(CCn2c(N1C)ncc2)NC(=O)C(=NC=NCc1ccccc1)N	PC-id_145225306	367.405	ZZZOFSPDTGGEPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091201
O=C1Nc2cn(nc2CC[C@@H]1NC(c1nnc([nH]1)Cc1ccccc1)O)C	SCHEMBL19228451	367.405	JLZFVLLAKMXFKZ-FVRDMJKUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091202
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)OCCn1ncnc1	EMOLS-id_316478600	367.405	ZXDJLKRBLRGPNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091203
O=C(c1nc(C)c(nc1N)c1ncco1)NCc1n[nH]c2c1CCCCC2	PC-id_121351296,SCHEMBL17768923	367.405	XGTKWNDXLAYYLQ-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-091204
CC(OCc1ncn2c1CN(CCC2)S(=O)(=O)c1ccc(cc1)F)C	PC-id_97520021	367.438	CKPUZQWFEKAJMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091264
O=C(CCc1nc(c2ccncc2)no1)NCc1nnc2n1CCCCC2	PC-id_30547233,EMOLS-id_44054355,ZINC22_22701188,MCULE-2491357869	367.405	JPJAODXKSCXJIZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-091205
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccccc1Cn1ncnc1	PC-id_87031905	367.405	SBINKKINTHFTCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091206
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1nc(n(n1)c1ccccc1)C	EMOLS-id_319610744	367.405	IDQDQKJERCKKHB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091207
O=C(Cn1nc2n(c1=O)CCCCC2)NCc1nncn1c1ccccc1	PC-id_86984874	367.405	XOCANYPTHRKPNO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091208
O=C(Nc1ccc(Cn2ccnc2)cc1)N[C@H]1CCCCn2c(O)nnc12	ZINC22_2325859145	367.405	PPFCSCHWKHSVKP-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091209
O=C(Nc1ccc(Cn2ccnc2)cc1)N[C@@H]1CCCCn2c(O)nnc12	ZINC22_2325859146	367.405	PPFCSCHWKHSVKP-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091210
O=C(NCCc1nc(Cc2ccccc2)no1)[C@H]1CCCCn2nnnc12	ZINC22_299797309	367.405	NKTQRYHGFPNDHW-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091211
O=C(NCCc1nc(Cc2ccccc2)no1)[C@@H]1CCCCn2nnnc12	ZINC22_299797313	367.405	NKTQRYHGFPNDHW-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091212
s1c2c(CCCCC2)c(c1NC(=O)CSC(F)(F)F)C(=O)OC	PC-id_52638622	367.407	MZWGMNOURUPZQV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-091213
Cc1ccc(cc1NC(=O)NCc1nnc2CCCCCn12)n1cnnn1	EMOLS-id_49147377,PC-id_72853283,ZINC22_47929058,MCULE-4139332931	367.408	FFGLBZBCGPSGBH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091214
Cc1cnnn1Cc1nnn2CCCN(Cc12)C(=O)c1ncnc(C)c1C	ZINC22_1565554085,EMOLS-id_313784730	367.408	JVMNAFJPODDCIT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091215
c12CN(CCCn1nc(CNc1ncccc1C(F)(F)F)c2)CC(C)C	EMOLS-id_44435857,MCULE-1602393568,ZINC22_82109401,PC-id_70739827	367.412	IPYGBCSDWBLNPR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091216
FC(Oc1ccc(cc1)CNC(=O)Nc1nc2c(s1)CCCCC2)F	PC-id_112825153	367.413	ZZVGABKKHUVSLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091217
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccccc1OC(F)F	PC-id_112825125	367.413	HHAPKNFLNAXLKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091218
FC(F)Oc1c(OC)cc(C[NH2+]C(c2n3CCCCCc3nn2)C)cc1	PC-id_75692441	367.414	HLFTYVLLRVRTBH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-091219
FC(F)Oc1c(OC)cc(C[NH2+][C@H](c2n3CCCCCc3nn2)C)cc1	PC-id_52195994	367.414	HLFTYVLLRVRTBH-LBPRGKRZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-091220
FC(F)Oc1c(OC)cc(C[NH2+][C@@H](c2n3CCCCCc3nn2)C)cc1	PC-id_52195996	367.414	HLFTYVLLRVRTBH-GFCCVEGCSA-O	00000000100000110101000000000010000000000000000000000000	31-01-091221
Fc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCC(=O)N)/C(=O)Nc2cc1	PC-id_60113731	367.417	HQVXXCREVXDCII-WJDWOHSUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-091222
Fc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)N)C(=O)Nc2cc1	PC-id_72651820	367.417	HQVXXCREVXDCII-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-091223
Fc1ccc(cc1)C(=O)N1CCCn2c(C1)cc(n2)OCC1=CC=CCC1	PC-id_145687973	367.417	VRPNYNSBNXEUBN-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-091224
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)[nH]nc(c2ccccc2F)c1	MCULE-6450960029,EMOLS-id_44706813,ZINC22_91433791,PC-id_70720067	367.42	APDWCCOCNWNTMF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091225
COc1cc(ccc1n1cnc(c1)C)/C=C(/c1nc2n(n1)CCCCC2)F	PC-id_143535422	367.42	BWYCABUKGYIEHY-YBEGLDIGSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091226
COc1ccc(cc1OC)S(=O)(=O)N1CCCn2nc(CO)cc2C1	ZINC22_219861847,MCULE-9589124378,EMOLS-id_55642264,PC-id_91773964	367.42	OUVJIRLBNNUHOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091227
Fc1ccc(cc1)n1nc(c(c1C)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101668288	367.42	XUCKNFAWXOMLMI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091228
N#Cc1ccc(c(c1)F)N1CCC(C1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678261	367.42	ODLUDCSKMQKJDG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091229
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCCCC2)c1C#N	MCULE-8181483218,PC-id_1219676	367.422	GOOIMBCRXBISEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091230
N#Cc1c(NC(=O)/C=Cc2cccc(c2)[N+](=O)[O-])sc2c1CCCCC2	CoCoCo_5814927	367.422	GOOIMBCRXBISEH-KTKRTIGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091231
N#Cc1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCCC2	SPECS-id_AK-968/11840159,EMOLS-id_26496641,PC-id_5454148,ZINC22_994505,CoCoCo_5814926	367.422	GOOIMBCRXBISEH-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091232
N#Cc1c(NC(=O)Cn2ccc3c(c2=O)cco3)sc2c1CCCCC2	EMOLS-id_98872753	367.422	KQXPLFNEADVUET-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-091233
N#Cc1c(NC(=O)Cn2c(=O)oc3ccccc23)sc2c1CCCCC2	CoCoCo_3268375,PC-id_40207782,ZINC22_32981866,EMOLS-id_24001722,MCULE-7090413359	367.422	GJYVUVSJQKWRHF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091234
O=C(CN1CCCc2sccc2C1=O)Nc1ccc(c2cnco2)cc1	MCULE-6205481991,PC-id_71878189,ZINC22_84419669,EMOLS-id_44566556	367.422	UXSFDVKMIOUWIM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091235
s1c2CCCCCc2c(c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C#N	PC-id_4340010	367.422	DVGFCXKUNONSEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091236
s1c2CCCCCc2c(c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C#N	PC-id_6073961	367.422	DVGFCXKUNONSEZ-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091237
c1(cn(C)c(=O)n(C)c1=O)S(=O)(=O)NCc1c2CCCCCc2[nH]n1	MCULE-3604452705,EMOLS-id_232900082,ZINC22_828410807	367.423	FQWBDUZMJBOIMB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091238
Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@H](CNS(=O)(=O)C)C1	ZINC22_251978475	367.423	FHLGSKTZNBUUIM-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091239
Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@@H](CNS(=O)(=O)C)C1	ZINC22_251978478	367.423	FHLGSKTZNBUUIM-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091240
Cc1noc(C)c1C(=O)N1CC(CNS(=O)(=O)C)Cn2nccc2C1	EMOLS-id_50376631	367.423	FHLGSKTZNBUUIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091241
Cc1noc(C)c1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82099672,MCULE-3948999241,PC-id_70726409,EMOLS-id_44431079	367.423	AHZFDYMPSWUFMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091242
Cc1noc(C)c1S(=O)(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_239628884,MCULE-8702135685	367.423	OPWPNWLXUKWNDB-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-091243
Brc1cc(OCCSc2n3CCCCCc3nn2)ccc1	PC-id_60626188	368.292	UYSFHIBQOUQFJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091845
CCc1cc(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)no1	PC-id_70773139,EMOLS-id_44447351,ZINC22_82145951,MCULE-6942678722	367.423	BLNBGOQCJAQALQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091244
CCc1cc(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)on1	MCULE-5010717445,EMOLS-id_44426437,ZINC22_82092467,PC-id_70713142	367.423	WIKDERUXRKGLHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091245
CCc1ocnc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82167157,MCULE-6023626903,EMOLS-id_44452355,PC-id_70787340	367.423	VAIUSFZCRHZFND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091246
CCn1cc(cn1)S(=O)(=O)N1CCCn2nc(CCC(=O)O)cc2C1	PC-id_70732056,EMOLS-id_43103937,ZINC22_72423897,MCULE-3066858566	367.423	ICNLDULXVOCEHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091247
CC(=O)N1CCCn2nc(CNS(=O)(=O)c3c(C)noc3C)cc2C1	EMOLS-id_44425763,PC-id_70711204,ZINC22_82091619,MCULE-6902228550	367.423	LCHMTLRSXBIHIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091248
c12C(=O)NCCCc1nc(NC(=O)c1ccc(cc1)Cn1ccnc1)s2	ZINC22_211128475,MCULE-9441931555,EMOLS-id_50139187,PC-id_72719964	367.425	YKIMJNLHGGLVSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091249
Cc1c(cnn1c1ccccc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625290	367.425	PODMDPPIKJCMJM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091250
Cn1c(cc(n1)c1ccccc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625291	367.425	XWHSMGOKLXCWIE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091251
N#Cc1oc2ccccc2c1NC(=O)CSc1nnc2n1CCCCC2	PC-id_8004100,ZINC22_6586948,EMOLS-id_3506271,MCULE-2810095347,CoCoCo_3082270	367.425	WMCNYSYAHFRZGU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091252
O=C1Nc2ccsc2CCC1C(c1nnc([nH]1)C(=O)N)c1ccccc1	SCHEMBL19031547	367.425	MLUAHZPOPPLBGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091253
O=C1Nc2ccsc2CCC1NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19031690	367.425	HZYBXUOXXZYAQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091254
s1c2CCCCCc2c(c1NC(=O)Cn1nc2n(c1=O)cccc2)C#N	PC-id_60426012	367.425	UQMBVSRKQYTKDE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091255
Cc1cnnn1Cc1nnn2c1CN(C(=O)CCS(=O)(=O)C)CCC2	EMOLS-id_313731033,ZINC22_1565555317	367.427	WVEHWHMTIJEJRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091256
C1CCc2nnc(n2CC1)/C(=C(/CSc1nnc2n1cccc2)O)/C#N	PC-id_135582631	367.428	HEPPTAKKYOVMPK-SEYXRHQNSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091257
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1n2c(nn1)cccc2	PC-id_78684383	367.428	VDRFKKZTJREFRF-UHFFFAOYSA-N	00000011100000100111000001000010000000000000000000000000	31-01-091258
S(CC(=O)/C(=C
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CCCCC(CC1COc2c(OC1)c([nH]c2C(=O)OCC)C(=O)O)CC	PC-id_66616237,SCHEMBL182728	367.437	KBBFWJZAVBEELD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091260
CCCCC(CC1COOc2c(C1)c([nH]c2C(=O)OCC)C(=O)O)CC	SCHEMBL182727,PC-id_22672970	367.437	MMPQXJNZNUJQES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091261
O1CC(CCCCCCCC)COc2c1c([nH]c2C(=O)O)C(=O)OCC	PC-id_10872277	367.437	DKMMLYVQCKESKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091262
CC(OCc1ncn2c1CN(CCC2)S(=O)(=O)c1ccccc1F)C	PC-id_97520022	367.438	IOZHHLJAKJLPSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091265
CCS(=O)(=O)N1Cc2cccn2C[C@H](CCOc2ncccc2F)C1	ZINC22_585095255	367.438	KPULTGRTKJRZHY-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091266
CCS(=O)(=O)N1Cc2cccn2C[C@@H](CCOc2ncccc2F)C1	ZINC22_585095256	367.438	KPULTGRTKJRZHY-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091267
OC(=O)C(c1ccc2-c1ccccc2)NC(c1ccccc1)c1ccccc1	PC-id_122388572	367.44	UFLGBOXZUHMLHT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-091268
S(=O)(=O)(N1C(Cc2c(scc2)CC1)C(=O)O)c1ccc(OC)cc1	PC-id_54315211	367.44	SNRKHNALHOFSRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091269
c12CN(CCCn1nc(CO)c2)Cc1ccc(c2ccc(cc2)OCC)o1	PC-id_90652159,MCULE-9070591128,ZINC22_221277256,EMOLS-id_50543621	367.441	UFERRQFBVNWRKN-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-091270
C1CC1CNC(=O)c1nc2c(o1)CCN(CC2)Cc1cc2c(cc1)OCC2	PC-id_134806901	367.441	NFDCHSCFDYPBGO-UHFFFAOYSA-N	00100010100000100101000000001010000000000000000000000000	31-01-091271
Cc1ccc(cc1)CN1CCC(C1=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100438299	367.441	USMVSGJHOCWZKA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091272
Cc1ccc(cc1)Cn1c(nc2c1c(=O)cc(c(=O)n2C)CCCOC)C	PC-id_90434023,SCHEMBL16068280	367.441	BDRCEAXRUFMEKP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-091273
Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111825748	367.441	AGMQBLFOKXAEBF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091274
Cc1c(NC(=O)N2CCCc3occc3C2)cccc1C(=O)N1CCCC1	MCULE-1418271209,EMOLS-id_316839117,ZINC22_377606761	367.441	OLLFWWOLWAPBOR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-091275
CC(c1cccc(c1)N1CCCC1=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100094916	367.441	ZDBHURXEWBVNMI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091276
CC(C)[C@H]1C(=O)N(c2c(C(=N1)C(C)C)[nH]c(c2)C(=O)O)Cc1ccccc1	PC-id_136140076	367.441	FRZUPCHTNMJZFC-SFHVURJKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-091277
CC(C(=O)N1C(C)Cc2c1cccc2)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_101575140	367.441	YIHMDZTZNUKHRC-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-091278
CCN(C(=O)c1noc2c1CCCCC2)C1CCN(C1=O)c1ccccc1	EMOLS-id_101025928	367.441	TUNHTWGCODANTO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091279
CCOC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)C	SCHEMBL19702778	367.441	CIXXNVFXJKDHMS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-091280
CN(C(=O)c1noc2c1CCCCC2)C1CCCN(C1=O)c1ccccc1	EMOLS-id_100991290	367.441	SWNJLTXBCADILQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091281
COc1ccc(CN2CCCn3cnc(COCc4ccco4)c3C2)cc1	EMOLS-id_46148369,PC-id_97381692,ZINC22_96059039	367.441	JLRXFPXNIWILHW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-091282
O=C(c1ccccc1)N1CCCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100097253	367.441	WKYQYQBRLLGDEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091283
O=C(c1cccc(c1)NC(=O)c1noc2c1CCCCC2)N1CCCCC1	EMOLS-id_100940277	367.441	XPFDQQWCXMJRMX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091284
O=C(c1ccc(cc1)NC(=O)c1noc2c1CCCCC2)NC1CCCC1	EMOLS-id_100944399	367.441	KUSBFBAVOFRGTH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091285
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1ccc(cc1)OCCNC1CC1	PC-id_21953171,SCHEMBL6095735	367.441	JKRASVILBZCFPW-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-091286
OCCCNC(=O)C1=CCCC=Cc2c1cn(n2)Cc1ccc(c(c1)C)O	SCHEMBL19673468	367.441	USGVBQJHJIHJRS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-091287
O=C(C(N1CCCc2c(C1)cco2)C)Nc1ccc(cc1)N1CCCC1=O	EMOLS-id_99341950	367.441	DKVPQEKOZKTHHU-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-091288
O=C(C(N1CCCc2c(C1)cco2)C)Nc1cccc(c1)N1CCCC1=O	EMOLS-id_99343129	367.441	RDRRKNLDMARHSK-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-091289
O=C(N1CCC(CC1)C(=O)N1CCCc2c(C1)cco2)Nc1ccccc1	EMOLS-id_99339040	367.441	HKHNWRNDYOJXKF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-091290
O=C(N1CCN(CC1)C(=O)c1noc2c1CCCCC2)Cc1ccccc1	EMOLS-id_100519418	367.441	JFMQJEUAAPKXHH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091291
O=C(NCc1ccccc1)c1ccc2CCN(CCn12)C(=O)C1CCOC1	EMOLS-id_313772749	367.441	YLWSWGZVBOMSBQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091292
O=C(NCc1ccccc1)c1ccc2n1CCN(C(=O)[C@H]1CCOC1)CC2	ZINC22_1565548157	367.441	YLWSWGZVBOMSBQ-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091293
O=C(NCc1ccccc1)c1ccc2n1CCN(C(=O)[C@@H]1CCOC1)CC2	ZINC22_1614930771	367.441	YLWSWGZVBOMSBQ-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091294
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CC1CCc2ccccc12	EMOLS-id_43070499,PC-id_56885318,MCULE-1942349602	367.442	QJFVVUCIJHABRG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091295
Cc1c2-c(c(cc2NC=O)C(=CC(C)(C)N=O)NC=O)cc(cc1)C(C)C	PC-id_87882137,SCHEMBL5711214	367.442	MSXVGNQJXBWIFZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-091296
Fc1ccc(cc1S(=O)(=O)N(C)C)NCc1nnc2n1CCCCC2	EMOLS-id_318220942	367.442	POZUNFJRWKJTPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091297
O=C(C1CC1)c1ccc(cc1)CCOC(=O)N1CCCc2[nH]cnc2CC1	PC-id_20803045	367.442	IZVNFHGHXGNBBM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-091298
O=C(O)CCc1cc2n(n1)CCCN(C(=O)C[C@H]1CCc3ccccc13)C2	PC-id_95872218,ZINC22_72429843	367.442	QJFVVUCIJHABRG-MRXNPFEDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091299
O=C(O)CCc1cc2n(n1)CCCN(C(=O)C[C@@H]1CCc3ccccc13)C2	ZINC22_72429845,PC-id_95872219	367.442	QJFVVUCIJHABRG-INIZCTEOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091300
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)CCOc1ccccc1	PC-id_90625672	367.443	UQYAODPJSHUXCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091301
Cc1cc(c(cc1)OC)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625610	367.443	BRXQDYAYPBNGHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091302
Cc1c(ccc(c1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2)OC	PC-id_90625592	367.443	FVOJWQJORFLQMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091303
CCOc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625608	367.443	IAFIQGGLIKITQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091304
CCOc1ccccc1S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625628	367.443	HKRZNRDVCMRAEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091305
CCOC(=O)c1nc2c(s1)N(S(=O)(=O)c1cccnc1)CCCC2	ZINC22_328594191,EMOLS-id_76028080,PC-id_121568052,MCULE-5527589064	367.443	XYSPFEOXSCQMMX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091306
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807956	367.443	NRVZVCZJBOHVSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091307
[O-][N+](=O)c1cccc(c1C)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112818481	367.443	IUFDVSSTMBLYRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091308
[O-][N+](=O)c1ccc(c(c1)C)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112823125	367.443	IATTYRJAGOWGER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091309
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112807934	367.443	JCZMVYZFOVOJMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091310
c12c(C)cccn1c(cn2)CC(=O)N1CCCn2c(cc(n2)C(CC)O)C1	PC-id_91774822,EMOLS-id_55644744,MCULE-7364828934	367.445	UVDBDRQXJXTMOE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091311
c12CN(CCCn1nc(CCC(=O)NCCO)c2)Cc1ccc(cc1)C#N	PC-id_72854932,MCULE-2782030418,EMOLS-id_46037621,ZINC22_91411445	367.445	MCUPPRSOEXLBAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091312
c12CN(CCCn1nc(CNc1ccc(cn1)C(=O)C)c2)C(=O)C1CCC1	PC-id_70720851,ZINC22_82097716,MCULE-7229650844,EMOLS-id_44429109	367.445	KSXMFWQCCIMPPM-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-091313
c12CN(CCCn1nc(CNC(=O)c1cccc(C)n1)c2)C(=O)C1CCC1	EMOLS-id_44440163,MCULE-8721877376,ZINC22_82121410,PC-id_70752141	367.445	WNNGHIOBQXDPNG-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-091314
c12CN(CCCn1nc(CNC(=O)c1ccc(nc1)C)c2)C(=O)C1CCC1	ZINC22_82108054,EMOLS-id_44433967,PC-id_70734598,MCULE-1557656877	367.445	NMFIOURUUSDKSX-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-091315
c12CN(CCCn1nc(CNC(=O)Cc1cccnc1)c2)C(=O)C1CCC1	EMOLS-id_44433185,ZINC22_82107337,MCULE-2979550248,PC-id_70732305	367.445	KVMFDAZWZIQMKW-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-091316
c12CN(CCCn1nc(CNC(=O)Nc1ccccc1)c2)C(=O)C1CCC1	ZINC22_82114511,EMOLS-id_44436535,PC-id_70741663,MCULE-5590627598	367.445	ZVCQAFMQZUCMLO-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-091317
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cc2c(cccc2)o1	MCULE-3395972192,PC-id_70733366,EMOLS-id_44433573,ZINC22_82107800	367.445	NBXJKKBSQQZFGD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091318
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc2c(cco2)c1	MCULE-1656457011,PC-id_70711898,ZINC22_82091947,EMOLS-id_44426021	367.445	PZZBZZYUHDEATP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091319
c12CN(CCCn1nc(CO)c2)Cc1ccc(c(Cn2cccn2)c1)OC	ZINC22_220440723,EMOLS-id_50537397,PC-id_90650492,MCULE-2491541329	367.445	AKHKGJLUMJXWAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091320
c1(cc2n(CCCN(Cc3ccccc3)C2)n1)C(=O)N1CCC[C@H]1C(=O)N	PC-id_50976534,ZINC22_65468439,EMOLS-id_32421846,MCULE-3276664812	367.445	LYEISEOMYCLDOW-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091321
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3onc(C(C)C)n3)C2)n1	MCULE-2185855650,EMOLS-id_55707626,PC-id_91796384	367.445	XCZVMPXYXZFHMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091322
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3ccccc3OC)C2)n1	EMOLS-id_55618058,PC-id_91765452,MCULE-2459235753	367.445	QOWKWKFBRPZYEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091323
c1(C(=O)N2CCCC2)cc2n(CCCN(C2)C(=O)c2ccccc2NC)n1	MCULE-2686770829,EMOLS-id_32375300,ZINC22_65374720,PC-id_50951905	367.445	CWTBFQJUKABAER-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091324
c1(C(=O)N2CCCC(C(=O)c3ccccn3)C2)cc2n(CCCN(C)C2)n1	PC-id_50961212,EMOLS-id_32392990,MCULE-6135681751	367.445	OXTHTEWVUUCEAJ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-091325
c1(C(=O)NC2CCc3n(c(nn3)C)CC2)cc(n(Cc2ccco2)c1C)C	PC-id_91910729,MCULE-3201335441,EMOLS-id_50590207	367.445	USXHTLCOBODMNK-UHFFFAOYSA-N	00000000111000000101000000000010000000000000000000000000	31-01-091326
c1(C(=O)NC2CN(C(=O)C2)c2ccc(cc2)C)cc2n(CCCN(C)C2)n1	PC-id_50951704,MCULE-8563141181,EMOLS-id_32374908	367.445	ZAABGCSGLDXOTM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091327
c1(C(=O)NCc2cc3n(CCCNC3)n2)c2cc(OC)ccc2n(C)c1C	PC-id_74230834,MCULE-5113449004,ZINC22_97137728	367.445	JLEPGPSVCXHXDV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091328
c1(C(=O)NCc2n(CCOC)c3c(cccc3)n2)c2CCCCCc2n[nH]1	MCULE-7428748153,STOCK7S-52598,EMOLS-id_54881990,EMOLS-id_50597102,PC-id_91822768	367.445	YWBOFBIUTQQOHP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091329
c1(C(=O)NCCCc2oc3c(ccc(C)c3)n2)cc2n(CCCN(C)C2)n1	ZINC22_65406474,PC-id_50964950,MCULE-4467950978,EMOLS-id_32399998	367.445	XAUYZIYOBAAGIE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091330
Cc1cc2NC(=O)C(CC(=O)NCc3nnc4CCCCCn34)c2c(C)c1	MCULE-5079998624,PC-id_45176706,EMOLS-id_23807868	367.445	PVTKBMUFZKBIFM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091331
CC1CC(C1)C(=O)N1CC(Cn2ncnc2C1)C(=O)NCc1ccccc1	EMOLS-id_313721304	367.445	BLURAIVTLLMIEL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-091332
Cc1cc(C)c2c(c1)NC(=O)[C@@H]2CC(=O)NCc1nnc2n1CCCCC2	CoCoCo_1168605,PC-id_98249612,ZINC22_101849547	367.445	PVTKBMUFZKBIFM-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091333
Cc1cc(C)c2c(c1)NC(=O)[C@H]2CC(=O)NCc1nnc2n1CCCCC2	ZINC22_19745974,CoCoCo_1168606	367.445	PVTKBMUFZKBIFM-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091334
Cc1ccc(cc1)N1CC(CC1=O)C(=O)NCc1nnc2n1CCCCC2	MCULE-7497366489,PC-id_45859655,EMOLS-id_30238381	367.445	CBJRPFLMYVXPFI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091335
Cc1ccc(cc1N1CCNC1=O)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-7577942643,PC-id_70749935,ZINC22_91665204,EMOLS-id_44725490	367.445	JNSXRUMOQBAGIZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091336
Cc1ccccc1NC(=O)N1Cc2cncn2C[C@H](C(=O)NCC2CC2)C1	PC-id_97520762,ZINC22_96260689	367.445	OAOZVAYBYMXBFL-MRXNPFEDSA-N	00100000100000110101000000000010000000000000000000000000	31-01-091337
Cc1ccccc1NC(=O)N1Cc2cncn2C[C@@H](C(=O)NCC2CC2)C1	PC-id_97520763,ZINC22_96260690	367.445	OAOZVAYBYMXBFL-INIZCTEOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-091338
Cc1ccccc1NC(=O)N1CC(Cn2cncc2C1)C(=O)NCC1CC1	EMOLS-id_44372864	367.445	OAOZVAYBYMXBFL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-091339
Cc1ccc(cn1)C(=O)N1CCc2ncc(CNC(=O)C3CCC3)n2CC1	EMOLS-id_313778632,ZINC22_2055772181	367.445	DLKALRREISHWGX-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-091340
Cc1cccc(NC(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)c1	PC-id_97519457,ZINC22_96259373,EMOLS-id_44370294	367.445	RHCOELYCAXKKGU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091341
Cc1ccc(N2C[C@H](C(=O)NCc3nnc4n3CCCCC4)CC2=O)cc1	PC-id_51926934,ZINC22_40012909	367.445	CBJRPFLMYVXPFI-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091342
Cc1ccc(N2C[C@@H](C(=O)NCc3nnc4n3CCCCC4)CC2=O)cc1	PC-id_51926935,ZINC22_40012910	367.445	CBJRPFLMYVXPFI-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091343
Cc1ccc(N2C[C@H](NC(=O)c3cc4n(n3)CCCN(C)C4)CC2=O)cc1	ZINC22_65374381,PC-id_95121270	367.445	ZAABGCSGLDXOTM-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091344
Cc1ccc(N2C[C@@H](NC(=O)c3cc4n(n3)CCCN(C)C4)CC2=O)cc1	ZINC22_65374383,PC-id_95121271	367.445	ZAABGCSGLDXOTM-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091345
Cc1ccc(NC(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)cc1	EMOLS-id_44370296,ZINC22_96259374,PC-id_97519458	367.445	ASMDOZOTLAZCPU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091346
CC1CC(C(=O)N2Cc3ncnn3C[C@H](C(=O)NCc3ccccc3)C2)C1	ZINC22_1565546445	367.445	BLURAIVTLLMIEL-BDVYOWHSSA-N	00001000100000110101000000000010000000000000000000000000	31-01-091347
CC1CC(C(=O)N2Cc3ncnn3C[C@@H](C(=O)NCc3ccccc3)C2)C1	ZINC22_1614927762	367.445	BLURAIVTLLMIEL-PREGVCBESA-N	00001000100000110101000000000010000000000000000000000000	31-01-091348
CC(c1cccc(c1)N1CCCC1=O)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319274375	367.445	NXWYSEMKNWDCFJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091349
CCc1ccc(cn1)C(=O)N1CCCn2ncc(C(=O)N3CCCC3)c2C1	ZINC22_1565544040,EMOLS-id_313770700	367.445	BLVBMESFTGYLCO-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-091350
CC(C)c1nnc2CCN(CCn12)C(=O)c1cccc(c1)N1CCCC1=O	MCULE-3776359503,ZINC22_12245011,CoCoCo_1349062,PC-id_42482329,EMOLS-id_20553741,ChEMBL-DNDi_CHEMBL39217748	367.445	WCQBHBFNIWQBKZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091351
CCC(c1nnc2n1CCCCC2)NC(=O)CC1NC(=O)c2c1cccc2	MCULE-5134629634,EMOLS-id_257999734	367.445	LUUNRXQITUPWMB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091352
CCC(c1nnc2n1CCCCC2)NC(=O)CN1Cc2c(C1=O)cccc2	EMOLS-id_317985754	367.445	XATCNVLBIYDIFH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091353
CC(C)c1noc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)n1	PC-id_100304535,ZINC22_223754961	367.445	XCZVMPXYXZFHMT-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-091354
CC(C)c1noc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)n1	ZINC22_230486265	367.445	XCZVMPXYXZFHMT-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091355
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1ccc3nc(C)[nH]c3c1)C2	PC-id_100067090,ZINC22_221333538	367.445	LWDACSKZOOVRPD-IBGZPJMESA-N	00000000100000100101000001000010000000000000000000000000	31-01-091356
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1ccc3nc(C)[nH]c3c1)C2	ZINC22_221333588,PC-id_100067091	367.445	LWDACSKZOOVRPD-LJQANCHMSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091357
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cnc3c(C)cccn13)C2	PC-id_100049598,ZINC22_219926455	367.445	UVDBDRQXJXTMOE-GOSISDBHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091358
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cnc3c(C)cccn13)C2	ZINC22_219926484,PC-id_100049599	367.445	UVDBDRQXJXTMOE-SFHVURJKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091359
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1nc3ccccc3[nH]1)C2	PC-id_100320158,ZINC22_223843447	367.445	KMTLWOQMNZDWHT-GOSISDBHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091360
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1nc3ccccc3[nH]1)C2	ZINC22_223843510,PC-id_100320168	367.445	KMTLWOQMNZDWHT-SFHVURJKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091361
CCC(O)c1cc2CN(CCCn2n1)C(=O)Cc1ccc2[nH]c(C)nc2c1	MCULE-7440439165,EMOLS-id_50545685,PC-id_90652742	367.445	LWDACSKZOOVRPD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091362
CCC(O)c1cc2CN(CCCn2n1)C(=O)CCc1nc2ccccc2[nH]1	PC-id_91797131,EMOLS-id_55709836,MCULE-8016688624	367.445	KMTLWOQMNZDWHT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091363
C=CC(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1	ZINC22_1875373622	367.445	IHPMEYDEEAOYHC-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091364
C=CC(=O)N(C)c1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1	ZINC22_1875373623	367.445	IHPMEYDEEAOYHC-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091365
C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1nnc2n1CCCCC2	CoCoCo_4691938,ZINC22_29253603,PC-id_36440309	367.445	GQBZLPQRMDALAY-AWEZNQCLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091366
C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1nnc2n1CCCCC2	PC-id_36440302,CoCoCo_4691937,ZINC22_29253597	367.445	GQBZLPQRMDALAY-CQSZACIVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091367
CCN1CC(CC1=O)C(=O)N1CCc2nnc(Cc3ccccc3)n2CC1	PC-id_72882165,MCULE-3353387654,EMOLS-id_46622032	367.445	NPIKAROGXRNWPE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091368
CCN1C[C@H](C(=O)N2CCc3nnc(Cc4ccccc4)n3CC2)CC1=O	PC-id_97197046,ZINC22_95369781	367.445	NPIKAROGXRNWPE-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091369
CCN1C[C@@H](C(=O)N2CCc3nnc(Cc4ccccc4)n3CC2)CC1=O	ZINC22_95369782,PC-id_97197047	367.445	NPIKAROGXRNWPE-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091370
CC(=Nc1c(OCc2nnc3n2CCCCC3)n(C)c2c(C)cccc12)O	EMOLS-id_98501613,ZINC22_329161112,MCULE-5045589314	367.445	FCZNAROYGHRZJG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091371
CN1CCCn2nc(C(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)cc2C1	ZINC22_65397568,PC-id_95125990	367.445	OXTHTEWVUUCEAJ-HNNXBMFYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-091372
CN1CCCn2nc(C(=O)N3CCC[C@@H](C(=O)c4ccccn4)C3)cc2C1	ZINC22_65397569,PC-id_95125991	367.445	OXTHTEWVUUCEAJ-OAHLLOKOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-091373
CN(C)C(=O)COC1CN(Cc2cccc3[nH]ccc23)Cc2ccnn2C1	EMOLS-id_50010950	367.445	QOCCHYJFGBBVEB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091374
CN(C)C(=O)CO[C@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn2C1	ZINC22_248017586	367.445	QOCCHYJFGBBVEB-KRWDZBQOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091375
CN(C)C(=O)CO[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn2C1	ZINC22_248017589	367.445	QOCCHYJFGBBVEB-QGZVFWFLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091376
COc1ccc2[nH]cc(CN3CCc4nn(CC5CC5)c(=O)n4CC3)c2c1	MCULE-2919245384,PC-id_91922458,EMOLS-id_50585779	367.445	SXLMGAWHUGBTGI-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-091377
COc1ccc(c2[nH]ncc2CN2CCCn3nc([C@H](C)O)cc3C2)cc1	PC-id_100066206,ZINC22_221234823	367.445	AKNNYQSPRVXYRG-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091378
COc1ccc(c2[nH]ncc2CN2CCCn3nc([C@@H](C)O)cc3C2)cc1	PC-id_100066207,ZINC22_221234883	367.445	AKNNYQSPRVXYRG-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091379
COc1ccc(c2noc(CN(C)Cc3n[nH]c4c3CCCCC4)n2)cc1	CoCoCo_1582892,CoCoCo_1582891,EMOLS-id_23833015,CoCoCo_1582889,MCULE-9212388523,PC-id_29025488,ZINC22_20538134,CoCoCo_1582890	367.445	XTEXCSADSGYKKK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091380
COc1ccc(cc1)c1n[nH]cc1CN1CCCn2nc(cc2C1)C(C)O	EMOLS-id_50542045,MCULE-5987915154,PC-id_90651746	367.445	AKNNYQSPRVXYRG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091381
COc1ccccc1CN1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1	ZINC22_218805560,PC-id_100026850	367.445	QOWKWKFBRPZYEU-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091382
COc1ccccc1CN1CCCn2nc([C@H](O)c3ccnn3C)cc2C1	ZINC22_218805643,PC-id_100026851	367.445	QOWKWKFBRPZYEU-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091383
COc1ccc(c(CN2CCCn3nc(cc3C2)C(C)O)c1)n1cccn1	EMOLS-id_50537079,PC-id_90650408,MCULE-9826720556	367.445	VMBLWNLXKJAIHI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091384
COc1ccc(n2cccn2)c(CN2CCCn3nc([C@@H](C)O)cc3C2)c1	PC-id_100057441,ZINC22_220370919	367.445	VMBLWNLXKJAIHI-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091385
COc1ccc(n2cccn2)c(CN2CCCn3nc([C@H](C)O)cc3C2)c1	ZINC22_220370995,PC-id_100057443	367.445	VMBLWNLXKJAIHI-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091386
COCCn1ccc2cc(NC(=O)N3CCCc4c(cnn4C)C3)ccc12	MCULE-2993870886,ZINC22_585140098,EMOLS-id_316210471	367.445	BZRCIPSVAWUYSM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091387
N1(Cc2cccnc2)CC(CC1=O)C(=O)NCc1c2CCCCCc2[nH]n1	EMOLS-id_46612144,MCULE-9848277958,PC-id_72862871	367.445	UDFHLWTZKCHYGG-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-091388
N1(CC(=O)NCc2cc3n(CCCNC3)n2)CC(CC1=O)c1ccccc1	MCULE-4787482193,EMOLS-id_44442887,PC-id_70760069	367.445	LFEFCWGRMKGVJE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091389
O=C1CCC[C@@H](N1)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_97848999	367.445	NDAOBNNFBUWYIN-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091390
O=C1CCCN1Cc1ncn2c1CN(C(=O)NCc1ccccc1)CCC2	EMOLS-id_44370292,PC-id_97519456,ZINC22_96259372	367.445	DDWDETCCNSEPFI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091391
O=C1N(CCC1)c1ccc(CC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266375	367.445	KOOXMSIUBFNRGE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091392
O=C1N(CCC1)c1ccc(C(=O)NC(c2n3CCCCCc3nn2)C)cc1	EMOLS-id_44068293,PC-id_42945138,MCULE-5265893180	367.445	GQBZLPQRMDALAY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091393
O=C1N(CCC1)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55534817	367.445	MPPHTFVQMKZWAH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091394
O=C1N(CCC1)Cc1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24676673	367.445	CYFSBXSHRNGKEF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091395
O=C1N(CCCC1)c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266388	367.445	ABRFCIYRHXTGHV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091396
O=C(C1CCn2c(CC1)nnc2)N1CCN(CC1)C(=O)Cc1ccccc1	EMOLS-id_320197413,MCULE-8597081806	367.445	RJPRAPMDCWSPMD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091397
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1C)C(=O)N1CCCC1	EMOLS-id_319801644	367.445	XXEQLKCYLLDBMU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091398
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1C)C(=O)N1CCCC1	MCULE-5502305092,EMOLS-id_320125082	367.445	OVQKHHXTEJKDMX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091399
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1C(=O)N1CCCC1)C	EMOLS-id_278113144	367.445	KGHSMGGTWVNBEG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091400
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1C(=O)N1CCCCC1	EMOLS-id_316778241	367.445	JWPUPRVPSKKZAB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091401
OCc1nc2c(n1C)ccc(c2)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_319806560	367.445	JEUGJRQCOOEETG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091402
O=C([C@H](N1Cc2c(C1=O)cccc2)C)NCCc1nnc2n1CCCCC2	EMOLS-id_278720005	367.445	OOKBTUIZWFKETR-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091403
O=C(CN1C[C@H](c2ccccc2)CC1=O)NCc1cc2n(n1)CCCNC2	PC-id_96578749,ZINC22_82135615	367.445	LFEFCWGRMKGVJE-MRXNPFEDSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091404
O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCc1cc2n(n1)CCCNC2	ZINC22_82135616,PC-id_96578750	367.445	LFEFCWGRMKGVJE-INIZCTEOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091405
O=C(N1CCC2(C1)OCc1c2cccc1)NCc1nnc2n1CCCCC2	EMOLS-id_320366654,MCULE-5085691203,PC-id_139006896	367.445	UTIYHLDUVLAQPL-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-091406
O=C(N1C(CCC1)C(=O)N)c1nn2c(CN(CCC2)Cc2ccccc2)c1	PC-id_75593979	367.445	LYEISEOMYCLDOW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091407
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)nc(o2)C(C)(C)C	EMOLS-id_101944857	367.445	JSCSGFKOTYSVBM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091408
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)N1CCCCC1=O	EMOLS-id_101943147	367.445	UZTOXZLNLXFANR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091409
O=C(N1CCC[C@H]1C(=O)N1CCCc2c(C1)cnn2C)Nc1ccccc1	EMOLS-id_101845201	367.445	HCKOPLIFYPWSKH-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091410
O=C(Nc1ccccc1N1CCCC1=O)CN1CCCc2c(C1)cnn2C	EMOLS-id_318127519	367.445	LFGAPBYPFRACLW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091411
O=C(Nc1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1)C1CC1	PC-id_55535769	367.445	OZSMUCQVDLMBRF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-091412
O=C(NCC1CC1)C1CN(Cc2cncn2C1)C(=O)NCc1ccccc1	EMOLS-id_44372862	367.445	WUYDLKHVIBFXQP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-091413
O=C(NCC1CC1)[C@@H]1CN(C(=O)NCc2ccccc2)Cc2cncn2C1	PC-id_97520760,ZINC22_96260687	367.445	WUYDLKHVIBFXQP-QGZVFWFLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-091414
O=C(NCC1CC1)[C@H]1CN(C(=O)NCc2ccccc2)Cc2cncn2C1	PC-id_97520761,ZINC22_96260688	367.445	WUYDLKHVIBFXQP-KRWDZBQOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-091415
O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CC(=O)N(Cc2cccnc2)C1	PC-id_97192269,ZINC22_95361757	367.445	UDFHLWTZKCHYGG-HNNXBMFYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-091416
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CC(=O)N(Cc2cccnc2)C1	ZINC22_95361756,PC-id_97192268	367.445	UDFHLWTZKCHYGG-OAHLLOKOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-091417
O=C(NCCc1nnc2n1CCCCC2)c1ccc(N2CCCC2=O)cc1	PC-id_16232054,CoCoCo_4472982,ZINC22_14115016,MCULE-9992416426,EMOLS-id_13337998	367.445	BCBNAFQKYOOLCJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091418
c12CN(CCCn1nc(CNc1nc(C)cc(C)c1C#N)c2)C(=O)N(C)C	EMOLS-id_44433779,ZINC22_82107924,MCULE-2325269511,PC-id_70733952	367.448	RGUGRHAQMRGALZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091419
c12CN(CCCn1nc(CN(C)Cc1noc(C)n1)c2)Cc1cccnc1	MCULE-7440884704,EMOLS-id_43080223,ZINC22_72133868,PC-id_56887731	367.448	AWDVYXLBXGNNAR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091420
c12CN(CCCn1nc(CNC(=O)c1ccc3c(c1)nn[nH]3)c2)CC(C)C	ZINC22_82107760,EMOLS-id_44433515,PC-id_70733207,MCULE-3617917906	367.448	WGSVCBFBJZQQBN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091421
Cn1cnc(n1)c1ccc(cc1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99115119	367.468	SUSRXYJTNLKZGK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091538
c12nc(C)cc(C)n1c(nn2)CCCNC(=O)c1c2CCCCCc2[nH]n1	EMOLS-id_323252665,MCULE-7421437874	367.448	RWPQNBCXICSQGU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091422
c12ncccn1cc(C(CC)NC(=O)CCc1cc3n(CCCNC3)n1)n2	MCULE-4360454248,PC-id_70778259,EMOLS-id_43170276	367.448	YEPMVFYZEIVDNS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091423
c12ncnn1c(c(CCC(=O)NCc1c3CCCCCc3[nH]n1)c(C)n2)C	ZINC22_243892431,EMOLS-id_55666695,PC-id_91837689,MCULE-9046356175	367.448	AIDKRZPBJNDXPR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091424
c12ncnn1c(cc(C(=O)N(C)Cc1c3CCCCCc3[nH]n1)n2)C(C)C	ZINC22_67695163,PC-id_50957596,EMOLS-id_32386102,MCULE-3160631687	367.448	FQSONRRNUVNGCN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091425
c1(C(CC(C)C)NC(=O)c2cc3n(cccc3)n2)nnc2CCNCCn12	EMOLS-id_36437206,PC-id_56708699,MCULE-8723264916	367.448	DHHNYDDWZVYWAC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091426
c1(C(=O)N2CCCC3(CCc4cnc(N)nc34)C2)nnc2CCCCCn12	EMOLS-id_317327752,PC-id_135088719,MCULE-7297016932	367.448	BZUMOGCYLWMQSR-UHFFFAOYSA-N	00000010100010100101000000000010000000000000000000000000	31-01-091427
c1(C(=O)NCc2cc3n(CCCN(CCC)C3)n2)c(C)nc2ncccn12	EMOLS-id_44434473,MCULE-4539237647,PC-id_70735958,ZINC22_82108386	367.448	JJUGHHPJYWPOIX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091428
c1(C(=O)NCc2cc3n(CCCN(CC(C)C)C3)n2)cc2n(cccn2)n1	ZINC22_97797694,EMOLS-id_49679944,MCULE-1787701663,PC-id_74250232	367.448	AQHQAGCKNDZZNI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091429
Cc1cccc2nc(CCNC(=O)NCc3cc4n(n3)CCCNC4)[nH]c12	MCULE-7685367795,PC-id_119075002,ZINC22_426740310,EMOLS-id_82743901	367.448	AZMNDQMIFXJNLD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091430
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1nnc2n1CCCCC2	CoCoCo_4625776,EMOLS-id_16794875,PC-id_17539272,ZINC22_12781761,MCULE-7109372861	367.448	QIBLRGUHTPPVLS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091431
CCC(c1nnc2n1CCCCC2)NC(=O)Cn1nc(c2c1nccc2)C	MCULE-7767286333,EMOLS-id_320248470	367.448	LPHYOGTZWYGNRK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091432
CC(C)C[C@H](NC(=O)c1cc2ccccn2n1)c1nnc2n1CCNCC2	ZINC22_67771503,PC-id_95209626	367.448	DHHNYDDWZVYWAC-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091433
CC(C)C[C@@H](NC(=O)c1cc2ccccn2n1)c1nnc2n1CCNCC2	ZINC22_67771505,PC-id_95209627	367.448	DHHNYDDWZVYWAC-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091434
CC[C@H](NC(=O)CCc1cc2n(n1)CCCNC2)c1cn2cccnc2n1	PC-id_95895814,ZINC22_72477447	367.448	YEPMVFYZEIVDNS-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091435
CC[C@@H](NC(=O)CCc1cc2n(n1)CCCNC2)c1cn2cccnc2n1	PC-id_95895815,ZINC22_72477448	367.448	YEPMVFYZEIVDNS-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091436
n1n(CCCNC(=O)CCc2cc3n(CCCNC3)n2)c2c(cccc2)n1	PC-id_70782921,MCULE-7545460943,EMOLS-id_43176281,ZINC22_72479659	367.448	OIQCWTCFIQRHCK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091437
Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3nnc4n3CCCCC4)C1)CC2	ZINC22_1704312941	367.448	BZUMOGCYLWMQSR-IBGZPJMESA-N	00000010100010100101000000000010000000000000000000000000	31-01-091438
Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3nnc4n3CCCCC4)C1)CC2	ZINC22_1704312942	367.448	BZUMOGCYLWMQSR-LJQANCHMSA-N	00000010100010100101000000000010000000000000000000000000	31-01-091439
Brc1cc(CSc2n3CCCCCc3nn2)ccc1OC	PC-id_60675190	368.292	SXFTWPYPAKAOLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091844
O=C(NCc1n2CCCCCc2nn1)c1c2c(n(nc2)C(C)C)nc(c1)C	PC-id_78830706	367.448	DNATZSPXIBRYSN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091440
CCNC(=NCc1nnc2n1CCCCC2)NCc1nnc2n1cccc2	PC-id_111015713	367.451	JYFCSRTWEYPQGY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091441
c1(NC(=O)CCCC(=O)O)sc2c(CCCCC2)c1C(=O)OCCC	EMOLS-id_4045148,CoCoCo_6802296,PC-id_5221331,ZINC22_5952053,MCULE-7955238970,TIMTEC323316	367.46	MYHQKKOYIYTSGC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-091442
c1(NC(=O)CCCC(=O)O)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_683432,MCULE-1471184045,Chemmine_7395,EMOLS-id_2095429,TIMTEC210393,PC-id_2163557,ChEMBL-DNDi_CHEMBL5695381,ZINC22_2737478	367.46	ICRUDRZPPANODG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-091443
c1(NC(=O)CCC(=O)O)sc2c(CCCCCCC2)c1C(=O)OCC	MCULE-4676987367,ZINC22_2760519,PC-id_4581200,TIMTEC505202,CoCoCo_5811196,EMOLS-id_4045150	367.46	VNHKWGAUIUDOQJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-091444
CCOC(=O)CCCNC(=O)COC(=O)c1cc2c(s1)CCCCC2	PC-id_16509413,CoCoCo_2861344,ZINC22_11717080,EMOLS-id_29943394,MCULE-8530243838	367.46	AGADQLDCIDNUDT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-091445
COC(=O)c1c(oc2c1N(CC)C(=C(SC2(C)CC)C)C)C(=O)OC	PC-id_102146218	367.46	XRFVFNOCUHKGCU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-091446
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)O)C(=O)OC(C)C	PC-id_4171334	367.46	DULIWRVNBVBPMG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-091447
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CCCC)C(=O)OC	PC-id_4440000	367.46	RNHZGOJGHNETFZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-091448
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c2c([nH]c1C)cccc2	PC-id_7351978	367.461	SOLZTFAZQGTPHA-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-091449
CNC(=O)CCCCCNC(=O)C1(F)CCCCCc2c1nnn2CC	SCHEMBL18880166	367.462	UYEYRVYSQADGGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091450
c1(NC(=O)CCC(=O)N(C)CC(=O)OCC)sc2c(CCCCC2)n1	EMOLS-id_334726857,MCULE-5747689444	367.463	RCHSHHZQRDFVQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091451
Cn1cc(c(n1)c1ccccc1F)CN(C)Cc1n[nH]c2c1CCCCC2	PC-id_91828340	367.463	HJMZROAGRQDGOZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091452
COC(=O)CCC(=O)N1CCc2c(CC1)nc(s2)C(=O)N(CC)CC	PC-id_97442572	367.463	WNWLIXFPWCURAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091453
O=C(c1noc2c1CCCCC2)N1CCCC(C1)N1CCCS1(=O)=O	EMOLS-id_99935495	367.463	SKXGSZQAZGJRSD-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-091454
O=C(c1noc2c1CCCCC2)N1CCN(CC1)C1CCS(=O)(=O)C1	EMOLS-id_100934445	367.463	OCJYLZVQJOFPGF-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-091455
O=C(c1noc2c1CCCCC2)NC1CCN(CC1)S(=O)(=O)C1CC1	EMOLS-id_100993672	367.463	QXFPBUMDPIYEDO-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-091456
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCNC(=O)OCC	PC-id_46427273	367.463	ULOVDIOKMZNMEF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-091457
c1(cc2c(CCCCC2)s1)C(=O)N(C)Cc1onc(c2ccncc2)c1	EMOLS-id_44434621,ZINC22_82108493,PC-id_70736379,MCULE-5055452039	367.465	NSATVCFWFVNNNN-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-091458
c1(C(O)c2ccccc2)cc2n(CCCN(C(=O)c3ccc(C)s3)C2)n1	PC-id_91787642,MCULE-8084308053,EMOLS-id_55681865	367.465	FUSKKAZEMORNKC-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-091459
c1(C(O)c2ccccc2)cc2n(CCCN(C(=O)Cc3cccs3)C2)n1	EMOLS-id_55705198,MCULE-3683744778,PC-id_91795544	367.465	DROWLBIWIMZBCV-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-091460
c1(NC(=O)CCc2oc(cn2)c2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_323238835,MCULE-9664439634	367.465	MYYIKBUOEWMWTQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091461
c1(NC(=O)CON=C(C)c2ccccc2)sc2c(CCCCC2)c1C#N	PC-id_4311110,MCULE-5826614119	367.465	IJSBYOXHSSUEPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091462
Cc1ccc(c2nnco2)cc1NC(=O)c1cc2c(s1)CCCCCC2	MCULE-9085537491,EMOLS-id_45637193,ZINC22_47320669,PC-id_52257493	367.465	VJIJWKTVBVBXSQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091463
Cc1ccc(C(=O)N2CCCn3nc([C@H](O)c4ccccc4)cc3C2)s1	PC-id_100159023,ZINC22_222884964	367.465	FUSKKAZEMORNKC-LJQANCHMSA-N	00000000100100110101000000000010000000000000000000000000	31-01-091464
Cc1ccc(C(=O)N2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)s1	ZINC22_222884904,PC-id_100159014	367.465	FUSKKAZEMORNKC-IBGZPJMESA-N	00000000100100110101000000000010000000000000000000000000	31-01-091465
Cc1ccsc1C(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_253598193	367.465	AWZQNOHRTKIIKB-GOSISDBHSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091466
Cc1ccsc1C(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_253598194	367.465	AWZQNOHRTKIIKB-SFHVURJKSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091467
Cc1ccsc1C(=O)N1CC(Cn2cccc2C1)OCc1ccncc1	EMOLS-id_50010574	367.465	AWZQNOHRTKIIKB-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091468
Cc1nnc(c2ccccc2NC(=O)c2cc3c(s2)CCCCCC3)o1	ZINC22_78913085,MCULE-1256788409,PC-id_71894293,EMOLS-id_44532509	367.465	WXQDIKRZHPXOFY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091469
C/C(=NOCC(=O)Nc1sc2c(c1C#N)CCCCC2)/c1ccccc1	STOCK2S-26302,ZINC22_4602265,CoCoCo_5963053,EMOLS-id_26267992,PC-id_6065577,TIMTEC216750	367.465	IJSBYOXHSSUEPK-OEAKJJBVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091470
CC(=O)c1cccc(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1	CoCoCo_3845329,ZINC22_12554181,EMOLS-id_16674554,PC-id_25354645,MCULE-7555401789	367.465	HBESFERIHZHFRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091471
CC(=O)c1cn(CC(=O)Nc2nc3CCCCCc3s2)c2ccccc12	MCULE-8711962288,EMOLS-id_323342670	367.465	SHTHQSPNBSRIPF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091472
CNC(=O)CC1CN(Cc2cccn2C1)C(=O)c1csc2ccccc12	EMOLS-id_313809966	367.465	MSIYLBAQHYMKQH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091473
CNC(=O)C[C@@H]1CN(C(=O)c2csc3ccccc23)Cc2cccn2C1	ZINC22_585099109	367.465	MSIYLBAQHYMKQH-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091474
CNC(=O)C[C@H]1CN(C(=O)c2csc3ccccc23)Cc2cccn2C1	ZINC22_585099110	367.465	MSIYLBAQHYMKQH-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091475
N#Cc1c(NC(=O)CO/N=C(c2ccccc2)/C)sc2c1CCCCC2	PC-id_6381933,CoCoCo_5963054	367.465	IJSBYOXHSSUEPK-UCQKPKSFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091476
N#Cc1c(sc2c1CCCCCC2)NC(=O)C1CCC(=O)c2n1ccc2	EMOLS-id_101203086	367.465	HXZHNHWXPVQNCK-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-091477
O=C1CCC(=NN1)c1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_100505596	367.465	KVZRDCIVNXYALG-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-091478
O=C1Nc2c(C1)cc(cc2)C(=NNC(=O)c1cc2c(s1)CCCCC2)C	MCULE-3996316848,EMOLS-id_300792620,PC-id_71940912	367.465	YELNRVTZLKPALD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-091479
O=C1Nc2c(C1)cc(cc2)/C(=N/NC(=O)c1cc2c(s1)CCCCC2)/C	PC-id_97057914	367.465	YELNRVTZLKPALD-WSDLNYQXSA-N	00000010100000100100000000001010000000000000000000000000	31-01-091480
O=C(Cc1cccs1)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1	PC-id_100289945,ZINC22_223672503	367.465	DROWLBIWIMZBCV-FQEVSTJZSA-N	00000000100100110101000000000010000000000000000000000000	31-01-091481
O=C(Cc1cccs1)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1	PC-id_100289953,ZINC22_223672557	367.465	DROWLBIWIMZBCV-HXUWFJFHSA-N	00000000100100110101000000000010000000000000000000000000	31-01-091482
O=C(NCc1nc(Cc2ccccc2)no1)c1cc2c(s1)CCCCC2	MCULE-5271141955,ZINC22_58426399,PC-id_51126352,EMOLS-id_33363017	367.465	MHXRXXJIZQMDSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091483
O=C(NCc1nc(CN2CCCc3occc3C2)cs1)c1ccccc1	MCULE-9994257942,PC-id_145877268,EMOLS-id_316839625,ZINC22_288715962	367.465	FPNXVXPEADJOPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091484
O=S1CCN1c1ccc(c(c1)C)C(=O)NC1=Cc2c(CC=C1)ccn2C	PC-id_144621368	367.465	GIOQOXSNKDFYKX-UHFFFAOYSA-N	00001000100000110111100000000010000000000000000000000000	31-01-091485
s1c2CCCCCc2cc1C(=O)Nc1n[nH]c(c1)c1c(OC)cccc1	PC-id_56193487	367.465	MGIBWZXLCBOPND-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091486
s1c2CCCCCc2cc1C(=O)N/N=C(c1cc2CC(=O)Nc2cc1)/C	PC-id_75403660	367.465	YELNRVTZLKPALD-UUYOSTAYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-091487
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c2c(n(c1)C)cccc2	PC-id_9163643	367.465	QDGUCCZALXDSFJ-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-091488
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1c2c([nH]c1)cccc2	PC-id_34035322	367.465	STPDEXWNRHDIHW-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-091489
s1c2c(CCCCC2)c(c1NC(=O)Cc1c2c([nH]c1)cccc2)C(=O)N	PC-id_60387851	367.465	WGIJSVNQJHOEFG-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-091490
s1c2CCCCCc2c(c1NC(=O)CONC(=C)c1ccccc1)C#N	PC-id_1907131	367.465	ZIBHFEJTMSPFJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091491
s1c2CCCCCCc2cc1C(=O)Nc1c(cccc1)c1nc(on1)C	PC-id_55765567	367.465	FBRPMHIYMYJKQD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091492
s1c2CCCCCCc2cc1C(=O)NN=Cc1ccc(OCC#N)cc1	PC-id_84960341	367.465	GHVZQONQXFNDHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091493
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc2[nH]ccc2cc1	PC-id_40393497	367.465	KPPOIESFEGHNSD-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-091494
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1onc(C(C)C)c1	ZINC22_82137772,MCULE-3060902020,PC-id_70767792,EMOLS-id_44445591	367.466	SCAVTZQJECDFGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091495
Cc1noc(C)c1CN1Cc2ccnn2C[C@@H](CCNS(=O)(=O)C)C1	ZINC22_306144357	367.466	ZDIYKBVAZXSZRG-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091496
Cc1noc(C)c1CN1Cc2ccnn2C[C@H](CCNS(=O)(=O)C)C1	ZINC22_306144358	367.466	ZDIYKBVAZXSZRG-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091497
Cc1noc(C)c1CN1CC(CCNS(=O)(=O)C)Cn2nccc2C1	EMOLS-id_55731800	367.466	ZDIYKBVAZXSZRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091498
Cc1oncc1S(=O)(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2	ZINC22_82108938,EMOLS-id_44435109,MCULE-5253837279,PC-id_70737788	367.466	SUHZIJLXPKWFHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091499
CC(C(c1nnc2n1CCN(CC2)Cc1ccco1)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL46625142,PC-id_45166815	367.466	OIFBKGAFPANPAB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-091500
CC(C(c1nnc2n1CCN(CC2)Cc1cocc1)NS(=O)(=O)C)C	PC-id_45242326,ChEMBL-DNDi_CHEMBL83642090	367.466	HLIGMKHYGMEPLA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-091501
CC([C@H](c1nnc2n1CCN(CC2)Cc1cocc1)NS(=O)(=O)C)C	CoCoCo_1581298,CoCoCo_1581299	367.466	HLIGMKHYGMEPLA-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-091502
CC([C@@H](c1nnc2n1CCN(CC2)Cc1cocc1)NS(=O)(=O)C)C	CoCoCo_1581300,CoCoCo_1581301	367.466	HLIGMKHYGMEPLA-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-091503
CCCN1CCCn2nc(CNS(=O)(=O)c3c(C)noc3C)cc2C1	PC-id_70712245,ZINC22_82092111,EMOLS-id_44426137,MCULE-9317672553	367.466	OWTZZFUMZDILIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091504
CCCS(=O)(=O)N1CCCn2nc(CN(C)Cc3ccno3)cc2C1	ZINC22_72479733,MCULE-7122335248,PC-id_56915807,EMOLS-id_43176491	367.466	JPZPJJRBNSLBHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091505
CCS(=O)(=O)NCCC1CN(Cc2cc(C)on2)Cc2ccnn2C1	EMOLS-id_50372929	367.466	XYPBWAKXTRVUJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091506
CCS(=O)(=O)NCC[C@H]1CN(Cc2cc(C)on2)Cc2ccnn2C1	ZINC22_306143318	367.466	XYPBWAKXTRVUJC-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091507
CCS(=O)(=O)NCC[C@@H]1CN(Cc2cc(C)on2)Cc2ccnn2C1	ZINC22_306143319	367.466	XYPBWAKXTRVUJC-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091508
CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C[C@@H]12)C(=O)c1cn2CCNCCc2n1	MCULE-3617733396,EMOLS-id_330375910,ZINC22_1857712724	367.466	NXSXMLFFAONLMR-UBHSHLNASA-N	00000010100000000101000000000110000000000000000000000000	31-01-091509
CN(C)[C@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3nnc4n3CCCCC4)C[C@@H]12	PC-id_145936034,EMOLS-id_323973737,ZINC22_1857692568,MCULE-7138117172	367.466	KULLIRLETUQMIJ-AVGNSLFASA-N	00000010100000000101000000000110000000000000000000000000	31-01-091510
O=C(CCc1cc2CNCCCn2n1)N1CCN[C@H]2CS(=O)(=O)C[C@@H]12	MCULE-4566332170,PC-id_70724814,EMOLS-id_43091159,ZINC22_72418122	367.466	SAXDLWUZHOMRGE-LSDHHAIUSA-N	00000010100010000101000000000110000000000000000000000000	31-01-091511
O=C(CCc1cc2n(n1)CCCNC2)N1CCN[C@@H]2CS(=O)(=O)C[C@H]12	ZINC22_220297184	367.466	SAXDLWUZHOMRGE-CABCVRRESA-N	00000010100010000101000000000110000000000000000000000000	31-01-091512
S1(=O)(=O)CC2N(CCNC2C1)C(=O)CCc1nn2c(c1)CNCCC2	PC-id_77902819	367.466	SAXDLWUZHOMRGE-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-091513
S(=O)(=O)(N1Cc2n(nc(CN3C4CCC3CC(=O)NC4)c2)CCC1)C	PC-id_76425145	367.466	FWXDIOJVVFGQEP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-091514
S(=O)(=O)(N1Cc2n(nc(CN3[C@H]4CC[C@@H]3CC(=O)NC4)c2)CCC1)C	PC-id_56891459	367.466	FWXDIOJVVFGQEP-KGLIPLIRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-091515
c12CN(CCCn1nc(C)c2)C(=O)Nc1cccc(c1)c1csc(C)n1	PC-id_118768483,ZINC22_299758967,MCULE-6258562349,EMOLS-id_68886505	367.468	MLXYZLHYJYYEJH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091516
c12CN(CCCn1nc(CNc1scc(c3ccccc3)n1)c2)C(=O)C	EMOLS-id_44430935,MCULE-9322888796,PC-id_70726011,ZINC22_82099496	367.468	MFGPHCJAVOYVPD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091517
c1(C(=O)Nc2nnc(CCc3ccccc3)s2)c2CCCCCc2[nH]n1	MCULE-5031755727,EMOLS-id_323250107	367.468	MYZPWPYQFQEJIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091518
c1(C(=O)NCc2cc3n(CCCNC3)n2)sc(nc1c1ccccc1)C	EMOLS-id_44450663,MCULE-1700369292,ZINC22_82160736,PC-id_70782540	367.468	OYMGGABVJGRXIA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091519
c1(C(=O)NCc2csc(Cc3ccccc3)n2)cn2c(CCNCC2)n1	EMOLS-id_330470400,MCULE-8520740271,ZINC22_1857719846	367.468	WXQBBFRPCWWTNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091520
c1(C(=O)N(C)Cc2csc(c3ccccc3)n2)cc2n(CCCNC2)n1	EMOLS-id_32403102,ZINC22_65409212,MCULE-6184269840,PC-id_50966603	367.468	NXOFEAGMUJTKLK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091521
c1(C(=O)N)cn2c(CCN(Cc3cnc(c4ccccc4C)s3)CC2)n1	ZINC22_1940195933,MCULE-3978059409,EMOLS-id_336476862	367.468	WRPUBFWINQXYFF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091522
c1(csc(Cc2ccccc2)n1)C(=O)NCc1nnc2CCCCCn12	EMOLS-id_44447665,MCULE-6555965736,PC-id_70774095,ZINC22_73899517	367.468	GXJOBXRIJXDGMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091523
c1(csc(C)n1)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	MCULE-5364249617,PC-id_72934307,ZINC22_96166990,EMOLS-id_49176576	367.468	FAIGNXRTMZFUHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091524
c1(sc2c(CCCCCC2)n1)NC(=O)c1ccc(cc1)Cn1cncn1	PC-id_46971214,EMOLS-id_30438565,SYN-20040994,MCULE-8351699228,CoCoCo_496135,ZINC22_19334978	367.468	SBGIEAXJYNSPNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091525
c1(scnc1C)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	EMOLS-id_68935573,ZINC22_299798330,PC-id_118792777,MCULE-6783203098	367.468	RMDURGTWJUBCTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091526
Cc1ccccc1c1cnc(NC(=O)N2CCCc3c(cnn3C)C2)s1	EMOLS-id_316208681,ZINC22_885748351,MCULE-5705157100	367.468	ZVKYPCPNLQNELS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091527
Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)s1	ZINC22_306127794	367.468	GHVLNAAATBGTGP-HNNXBMFYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091528
Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNc3ccccn3)C2)s1	ZINC22_306127795	367.468	GHVLNAAATBGTGP-OAHLLOKOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091529
Cc1ccc(s1)C(=O)N1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_55743555	367.468	GHVLNAAATBGTGP-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091530
Cc1cc(NC(=O)c2cc3c(s2)CCCCCC3)ccc1n1cnnn1	MCULE-1089599312,PC-id_36722732,CoCoCo_4733578,ZINC22_29524406,EMOLS-id_29613421	367.468	GETUHCBOVDMSIG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091531
Cc1nc(c2ccccc2)sc1C(=O)NCc1nnc2n1CCCCC2	CoCoCo_4336678,ZINC22_40012927,EMOLS-id_29977283,MCULE-7920827757,PC-id_45859669	367.468	LKPIXTQNGONGFT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091532
Cc1nc(CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)cs1	ZINC22_2356165468,EMOLS-id_337822072,MCULE-4687183405	367.468	AQYFZTLHAZCSHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091533
Cc1nc(CC(=O)N2CCc3nnc(Cc4ccccc4)n3CC2)cs1	ZINC22_72418868,PC-id_70726495,EMOLS-id_43094025,MCULE-7740524907	367.468	NPWQCXOWIZWUFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091534
Cc1nc(c(s1)C(=O)N1CCc2n(CC1)c(nn2)Cc1ccccc1)C	ChEMBL-DNDi_CHEMBL24374285	367.468	TZZMNLIISNDCBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091535
CCc1cc(C(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)cs1	PC-id_70720152,ZINC22_91434042,EMOLS-id_44706879,MCULE-3609689827	367.468	IVKIXNZPCDLDLQ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091536
CC(=O)c1cc(CN2CCc3nnc(Cc4cccnc4)n3CC2)cs1	EMOLS-id_55694661,PC-id_91841689,ZINC22_252481643,MCULE-3303231112	367.468	CPVNITFFMNHCRS-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091537
CN(Cc1cnn(c2ccccc2)n1)C(=O)c1cc2c(s1)CCCNC2	ZINC22_2325778136	367.468	BZIVIDGYMQNROH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091539
n12CCCNCc1cc(CNC(=O)Cc1csc(c3ccccc3)n1)n2	EMOLS-id_44443271,PC-id_70761264,ZINC22_82134242,MCULE-8414350649	367.468	NVOKMNMKMYLMBM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091540
n12CCN(CCc1nnc2Cc1cccnc1)C(=O)CCc1ccsc1	PC-id_70747654,EMOLS-id_44724000,MCULE-2384263145,ZINC22_91662952	367.468	FTCPQHCBJRWRGX-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091541
NCc1nc(c2ccc(NC(=O)c3cc4c(s3)CCCCC4)cc2)n[nH]1	PC-id_120566579,ZINC22_193336342,EMOLS-id_302356604,MCULE-5696461699	367.468	NWBCOBMDSNWYIV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091542
O=C(c1cscn1)N1Cc2cccn2C[C@H](CCNc2ccccn2)C1	ZINC22_585095531	367.468	VJCZXTSDEPTKIN-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091543
O=C(c1cscn1)N1Cc2cccn2C[C@@H](CCNc2ccccn2)C1	ZINC22_585095532	367.468	VJCZXTSDEPTKIN-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091544
O=C(c1sc2c(c1)CCCCCC2)Nc1cncc(c1)c1nncn1C	EMOLS-id_97922253	367.468	IUNKXYIGMREVEB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-091545
O=C(Cc1cccs1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_247892386	367.468	YWYMXKDBJFNZIP-HNNXBMFYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091546
O=C(Cc1cccs1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_247892388	367.468	YWYMXKDBJFNZIP-OAHLLOKOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091547
O=C(Cc1cccs1)N1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_50372179	367.468	YWYMXKDBJFNZIP-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091548
O=C(N1CCCc2c(C1)c[nH]n2)CSc1nccn1Cc1ccccc1	EMOLS-id_316543661	367.468	HYBHUSBOLGSPRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091549
O=C(N1CC(CCNc2ccccn2)Cn2cccc2C1)c1cscn1	EMOLS-id_313839137	367.468	VJCZXTSDEPTKIN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091550
O=C(N=c1ccn(CCc2ccncc2)[nH]1)c1cc2c(s1)CCCNC2	ZINC22_2325778831	367.468	RRYHJTWRMLRHRW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091551
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccc(cc1)n1cccn1	PC-id_112838291	367.468	PAOYTIGIAKDBJD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091552
O=C(Nc1nc2c(s1)CCCCC2)NCc1cnn(c1)c1ccccc1	PC-id_112825128	367.468	DAAYWTMKORDCPJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091553
O=C(NCc1ccccc1)c1nc2CCN(Cc3cn[nH]c3)CCc2s1	EMOLS-id_313793337,ZINC22_1203090399	367.468	LFQAYYLHLSZUIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091554
O=C(NCC1CN(Cc2cccnc2)Cc2ccnn2C1)c1ccsc1	EMOLS-id_50371135	367.468	DXQXAGZLVGMGTB-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091555
O=C(NCc1nnc2n1CCCCC2)Nc1ccccc1c1cccs1	MCULE-2332663531,ZINC22_43910822,EMOLS-id_44530044,PC-id_71895884	367.468	VZCJLTPYPNLSFA-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-091556
O=C(NC[C@H]1CN(Cc2cccnc2)Cc2ccnn2C1)c1ccsc1	ZINC22_247469495	367.468	DXQXAGZLVGMGTB-INIZCTEOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091557
O=C(NC[C@@H]1CN(Cc2cccnc2)Cc2ccnn2C1)c1ccsc1	ZINC22_247469505	367.468	DXQXAGZLVGMGTB-MRXNPFEDSA-N	00000000100100101101000000000010000000000000000000000000	31-01-091558
s1c2CCCCCc2cc1C(=O)Nc1cc(n2nnnc2C)c(cc1)C	PC-id_56400589	367.468	ZCDIMHJCYWEZKO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091559
s1c2CCCCCCc2cc1C(=O)Nc1cc(ccc1)c1n(nnn1)C	PC-id_26122589	367.468	ZTYALDHYKNHIRU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091560
s1c2CCCCCCc2cc1C(=O)Nc1c(ccc(n2nnnc2)c1)C	PC-id_52648334	367.468	COCRZMWSTIUSEG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091561
s1c2CCCCCCc2cc1C(=O)Nc1nc([nH]n1)c1nc(ccc1)C	PC-id_52681343	367.468	PWEXICOXYUOOAB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-091562
s1cc(nc1c1ccccc1)CC(=O)NCc1n2CCCCCc2nn1	PC-id_51266270	367.468	BLCXYGUAZJKEHX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091563
s1c(C(=O)NCc2n3CCCCCc3nn2)c(nc1C)c1ccccc1	PC-id_24646628	367.468	FZKVPPVHFORBKX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091564
s1c(nc(CNC(=O)c2nn3CCCNCc3c2)c1)Cc1ccccc1	PC-id_50964887	367.468	MMFNKKLRCMGMII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091565
s1c(nc(C(=O)NCc2n3CCCCCc3nn2)c1)c1ccc(cc1)C	PC-id_51266358	367.468	GKJDESHQYQKHNK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091566
CC(C)C[C@H](NS(=O)(=O)c1cn(C)cn1)c1nnc2n1CCNCC2	ZINC22_67852199,PC-id_95218362	367.47	UMKFLSKBLGURCI-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091567
CC(C)C[C@@H](NS(=O)(=O)c1cn(C)cn1)c1nnc2n1CCNCC2	ZINC22_67852200,PC-id_95218363	367.47	UMKFLSKBLGURCI-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091568
CC(C)CC(NS(=O)(=O)c1cn(C)cn1)c1nnc2CCNCCn12	PC-id_56717705,EMOLS-id_36455791,MCULE-4411349567	367.47	UMKFLSKBLGURCI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091569
CCc1ccc(cc1)C(=O)c1c(C)cc2n1CCCCC2C(=O)OC(C)C	SCHEMBL11203567,PC-id_20484055	367.481	CMDSZLACFLZXHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091570
CCCCCOC(=O)C1CCCCn2c1ccc2C(=O)c1cccc(c1)C	SCHEMBL11196726,PC-id_70534774	367.481	BCYDWCNTCHSGMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091571
CC(CCOC(=O)C1CCCCn2c1cc(c2C(=O)c1ccccc1)C)C	SCHEMBL11198566,PC-id_20484245	367.481	JQTOIPHVKSWSMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091572
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCOCC1)C(=O)OCC	PC-id_7114351	367.483	UFBBDQBPUCZVLE-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-091573
c1(C(O)c2ccccc2)cc2n(CCCN(C(=O)CCC3CCCC3)C2)n1	PC-id_91767887,MCULE-7872183760,EMOLS-id_55624986	367.485	URWXCWLKJKKTBQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091574
CC(C1CCN(C1)Cc1ccccc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100172177	367.485	AXHBAVRXZVKNAW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091575
CN1CCC(=O)c2c(C1=O)n(CCCCNCCCc1ccccc1)cc2	SCHEMBL6987848,PC-id_20085228	367.485	RWRAQSPTJPTEOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091576
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCCN2CC1CCCCC1	SCHEMBL367340,PC-id_66667944	367.485	YXYHVQJUEVKGJQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091577
o1nc(c2CCCCCc12)C(=O)N1CCN(CC1)c1ccc(cc1)CCC	PC-id_71456870	367.485	FLGKZMCVYCMELC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091578
OC1CCCN(C1CCc1ccccc1)C(=O)c1cnc2n1CCCCC2	MCULE-8750062697,EMOLS-id_316583045	367.485	ZOQZVTKCAAIDJR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091579
O=C(c1noc2c1CCCCC2)NC1CCN(CC1)CCc1ccccc1	EMOLS-id_100930203	367.485	PHZOXVXKAFVXQW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091580
O=C(c1noc2c1CCCCC2)NCC1CCN(CC1)Cc1ccccc1	EMOLS-id_100102893	367.485	MEDGCAQRPYOXAN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091581
O=C(CC1CN(CCc2ccccc2)Cc2cccn2C1)N1CCOCC1	EMOLS-id_313814817	367.485	ZLZCEZBDMCCMIG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091582
O=C(CCC1CCCC1)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1	PC-id_100033533,ZINC22_219103972	367.485	URWXCWLKJKKTBQ-QFIPXVFZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091583
O=C(CCC1CCCC1)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1	PC-id_100033536,ZINC22_219104054	367.485	URWXCWLKJKKTBQ-JOCHJYFZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091584
O=C(C[C@H]1CN(CCc2ccccc2)Cc2cccn2C1)N1CCOCC1	ZINC22_585099263	367.485	ZLZCEZBDMCCMIG-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091585
O=C(C[C@@H]1CN(CCc2ccccc2)Cc2cccn2C1)N1CCOCC1	ZINC22_585099264	367.485	ZLZCEZBDMCCMIG-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091586
Cc1ccc(s1)S(=O)(=O)N1CCCn2nc(cc2C1)C(O)C1CC1	EMOLS-id_55694071,PC-id_91791777,MCULE-7964300801	367.486	VNOUQGDTQBXCIR-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-091587
Cc1ccc(S(=O)(=O)N2CCCn3nc([C@@H](O)C4CC4)cc3C2)s1	PC-id_100227222,ZINC22_223303860	367.486	VNOUQGDTQBXCIR-INIZCTEOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-091588
Cc1ccc(S(=O)(=O)N2CCCn3nc([C@H](O)C4CC4)cc3C2)s1	ZINC22_230563550	367.486	VNOUQGDTQBXCIR-MRXNPFEDSA-N	00100000100100000101000000000010000000000000000000000000	31-01-091589
N#Cc1c(NC(=O)CN2CCS(=O)(=O)CC2)sc2c1CCCCC2	PC-id_52712211,EMOLS-id_110450178	367.486	AHCPODVPBMXCJG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-091590
s1c2CCCCCc2cc1C(=O)NNC(=O)CCN1CCSC1=O	PC-id_46657045	367.486	VAGQKWUYOOMRBV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-091591
s1c2c(CCCCC2)c(c1NC(=O)C(=S)N1CCOCC1)C(=O)N	PC-id_17385648,SPECS-id_AN-153/I133610,MCULE-2537520666	367.486	BHVWQBJGQSZKSG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-091592
s1c2CCCCCCc2cc1C(=O)NNC(=O)CN1CCSC1=O	PC-id_9089393	367.486	GNVHOFCWFGXGRW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-091593
s1c2CCCCCCc2cc1C(=O)NNC(=O)CN1CSCC1=O	PC-id_9426549	367.486	BEENLLDVUUUMKH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-091594
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)C	PC-id_49698330	367.486	DQNMDHHUNYSUEG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-091595
c12C(CCCCn1nnn2)C(=O)NCC1(CCCC1)c1cc(C)cc(C)c1	PC-id_74239369,EMOLS-id_49657814,MCULE-8935230129	367.488	LQXWPNKNZRTPDF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091596
c12CN(CCC)CCCn1nc(CNC(=O)CN1Cc3c(cccc3)C1)c2	ZINC22_82137715,MCULE-9582007443,EMOLS-id_44445521,PC-id_70767625	367.488	JTSZXARYTNEQFE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091597
c12CN(CCC)CCCn1nc(CNC(=O)CN1CCc3ccccc13)c2	ZINC22_82107168,MCULE-5348682521,EMOLS-id_44432939,PC-id_70731571	367.488	VGMOCLFWIHYRBZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091598
c12CN(CCCn1nc(CCC(=O)NC1CCCC1)c2)Cc1ccccn1	MCULE-8348443802,EMOLS-id_46074539,ZINC22_91770340,PC-id_72905950	367.488	UIYRBAMYFDAIPY-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-091599
c12CN(CCCn1nc(CCC(=O)NC1CCCC1)c2)Cc1cccnc1	MCULE-3421627232,ZINC22_92037284,PC-id_72933325,EMOLS-id_46094471	367.488	ULAZXVYKHVZJAL-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-091600
c12CN(CCCn1nc(CNC1CCN(CC1)c1ccccc1)c2)C(=O)C	MCULE-9805718661,PC-id_70780661,EMOLS-id_44450009,ZINC22_82158460	367.488	LDNQRKNSCLSQOM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091601
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cn1)CC	ZINC22_82091147,EMOLS-id_44425415,PC-id_70710282,MCULE-6282603700	367.488	NUYDTNPKJCUWJF-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-091602
c1(cc2n(CCCN(C(C)C)C2)n1)C(=O)N1CCCCC1c1ccccn1	EMOLS-id_32377068,MCULE-5121024007,PC-id_50952841	367.488	FWJCKFDFVVOCPL-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-091603
c1(C(CC(C)C)NC(=O)C2Cc3c(cccc3)C2)nnc2CCNCCn12	EMOLS-id_36424814,PC-id_56702814,MCULE-7570433310	367.488	KNRQVJFPZOUPHB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091604
c1(CN(C)C2CCN(CC2)C(=O)c2cccnc2)c2CCCCCc2[nH]n1	EMOLS-id_316263722,ZINC22_1506407079,MCULE-6757808651	367.488	IMPLBNDILKZEIE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-091605
c1(C(=O)N2CCC(N(C)C)C2)cc2n(CCCN(Cc3ccccc3)C2)n1	MCULE-9336216058,EMOLS-id_32426060,PC-id_50978777	367.488	DCOMEBLMVCUXSM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091606
c1(C(=O)N2CCN(CC2)c2ccc(cc2C)C)cc2n(CCCN(C)C2)n1	MCULE-1903715898,ZINC22_65393864,PC-id_50958256,EMOLS-id_32387338	367.488	FGPLNEHKFHHBMZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091607
c1(C(=O)Nc2ccc(cc2)CN2CCN(C)CC2)c2CCCCCc2[nH]n1	EMOLS-id_335118417,MCULE-3831842686	367.488	YEUFHIWRYSEATA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091608
Cc1ccc(cc1)CC(=O)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97413616	367.488	XGTNEMCTZOXKQR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091609
Cc1ccc(cc1C)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	PC-id_97519654,EMOLS-id_44370692,ZINC22_96259572	367.488	KJMCYEBBLKAHSV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091610
Cc1ccccc1CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1	ZINC22_20916688,ChEMBL-DNDi_CHEMBL36365888,PC-id_29217853,CoCoCo_1330379,MCULE-8832714905,EMOLS-id_20540847,CoCoCo_1330380	367.488	ZNVFBYACGATEJU-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-091611
Cc1cc(C)cc(c1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	PC-id_97519655,EMOLS-id_44370694,ZINC22_96259573	367.488	NOONTLUNFRSJCP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091612
Cc1cc(C)cc(C2(CNC(=O)[C@@H]3CCCCn4nnnc34)CCCC2)c1	PC-id_97910166,ZINC22_97568935	367.488	LQXWPNKNZRTPDF-GOSISDBHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091613
Cc1cc(C)cc(C2(CNC(=O)[C@H]3CCCCn4nnnc34)CCCC2)c1	PC-id_97910167,ZINC22_97568936	367.488	LQXWPNKNZRTPDF-SFHVURJKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091614
Cc1ccc(CC(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)cc1	ZINC22_96259570,EMOLS-id_44370688,PC-id_97519652	367.488	FAFCAMSELFCMJX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091615
Cc1ccc(CN(C(=O)NCc2nnc3n2CCCCC3)C2CC2)cc1C	EMOLS-id_189714892,ZINC22_172594789,MCULE-9122418860	367.488	DHEKEZKVLRDYAS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-091616
Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CCN3CCCCC3)C2)nc1	ZINC22_253602808	367.488	RXPRTBWZGVKVNA-GOSISDBHSA-N	00000000100010101101000000000010000000000000000000000000	31-01-091617
Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CCN3CCCCC3)C2)nc1	ZINC22_253602811	367.488	RXPRTBWZGVKVNA-SFHVURJKSA-N	00000000100010101101000000000010000000000000000000000000	31-01-091618
Cc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c(C)c1	PC-id_17440253,MCULE-8351302817,CoCoCo_4526308,ZINC22_14085767,EMOLS-id_13444750	367.488	DMJQFBQRPAPDEG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091619
Cc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1N1CCCCC1	PC-id_46977415,SYN-22951780,CoCoCo_506672,ZINC22_19716201	367.488	PEDHVTKQTCUSSQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091620
CC1CC(CN1Cc1ccccc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101716956	367.488	ZXUFQEDQPYHTGU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091621
Cc1ccc(nc1)C(=O)N1CC(CCN2CCCCC2)Cn2nccc2C1	EMOLS-id_50373341	367.488	RXPRTBWZGVKVNA-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-091622
CC1CCCN(CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)C1	MCULE-4991261784,EMOLS-id_337826097	367.488	NGPVBKVRZCNEOE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091623
CC1CCN(CC1)c1cccc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101970669	367.488	MLGZTQLRKVVHND-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091624
CC1CCN(CC1NC(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1	EMOLS-id_258146764,MCULE-7549266324	367.488	PPXFTALJQGMONA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091625
CC1CN(CC1NC(=O)N1CCCc2c(C1)cnn2C)Cc1ccccc1	EMOLS-id_101693126	367.488	XEIJEVMWOVINPZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091626
CCc1ccc(cc1)C(=O)N1CCCn2c(CN3CCCCC3)nnc2C1	ZINC22_96084789,EMOLS-id_46182607,PC-id_97405612	367.488	YXSDSTYXJQKJQB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091627
CCc1ccc(cc1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	PC-id_97519653,EMOLS-id_44370690,ZINC22_96259571	367.488	QIHFSERATOPYLN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091628
CCc1ccccc1NC(=O)N1CCCn2cnc(CN3CCCC3)c2C1	PC-id_97519411,EMOLS-id_44370200,ZINC22_96259327	367.488	CEJUUCRZMCUXKJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091629
CCc1cccc(NC(=O)N2CCCn3cnc(CN4CCCC4)c3C2)c1	PC-id_97519412,ZINC22_96259328,EMOLS-id_44370202	367.488	SCCDXCUALKXPJI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091630
CCc1ccc(NC(=O)N2CCCn3cnc(CN4CCCC4)c3C2)cc1	ZINC22_96259329,PC-id_97519413,EMOLS-id_44370204	367.488	RONIEJPRHVLYKZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091631
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccc(cc1)C1CCC1	EMOLS-id_100587193	367.488	KQMVOPWZRIDRER-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-091632
CCC(c1nnc2n1CCCCC2)NC(=O)N[C@@H]1C[C@H](C1)c1ccccc1	EMOLS-id_101141501	367.488	PXZWGNCAHHAPTI-JHJOSGQCSA-N	00001000100000110101100000000010000000000000000000000000	31-01-091633
CC(C)C[C@H](NC(=O)C1Cc2ccccc2C1)c1nnc2n1CCNCC2	PC-id_95191678,ZINC22_67514962	367.488	KNRQVJFPZOUPHB-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091634
CC(C)C[C@@H](NC(=O)C1Cc2ccccc2C1)c1nnc2n1CCNCC2	ZINC22_67514965,PC-id_95191679	367.488	KNRQVJFPZOUPHB-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091635
CCC(C)C(=O)NCc1nnc2CCN(C/C=C/c3ccccc3)CCn12	PC-id_45252352,EMOLS-id_44855331	367.488	BYAZDWWNLJFZGC-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091636
CC(=CCN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1)C	MCULE-8867187298,ZINC22_11996521,PC-id_42341473,EMOLS-id_20516197	367.488	RLKCLANSGNMWOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091637
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(C/C=C/c1ccccc1)CC2	CoCoCo_1643724,ZINC22_15071034,CoCoCo_1643728	367.488	BYAZDWWNLJFZGC-PYUISTEWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091638
CC[C@H](C)C(=O)NCc1nnc2n1CCN(C/C=C/c1ccccc1)CC2	CoCoCo_1643726,CoCoCo_1643722,ZINC22_15071036	367.488	BYAZDWWNLJFZGC-JEJOPICUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091639
CC[C@H](C(=O)NCc1nnc2n1CCN(CC2)C/C=Cc1ccccc1)C	CoCoCo_1643723,CoCoCo_1643727	367.488	BYAZDWWNLJFZGC-CGQZWFTASA-N	00000000100000110101000000000010000000000000000000000000	31-01-091640
CC[C@@H](C(=O)NCc1nnc2n1CCN(CC2)C/C=Cc1ccccc1)C	CoCoCo_1643725,CoCoCo_1643721	367.488	BYAZDWWNLJFZGC-JEZWAEDTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091641
CC(C)N1CCCn2nc(C(=O)N3CCCC[C@@H]3c3ccccn3)cc2C1	PC-id_95121787,ZINC22_65376364	367.488	FWJCKFDFVVOCPL-HXUWFJFHSA-N	00000000100010101101100000000010000000000000000000000000	31-01-091642
CC(C)N1CCCn2nc(C(=O)N3CCCC[C@H]3c3ccccn3)cc2C1	PC-id_95121788,ZINC22_65376365	367.488	FWJCKFDFVVOCPL-FQEVSTJZSA-N	00000000100010101101100000000010000000000000000000000000	31-01-091643
C[C@H]1CCCN(CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)C1	ZINC22_2356151029	367.488	NGPVBKVRZCNEOE-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091644
C[C@@H]1CCCN(CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)C1	ZINC22_2356151030	367.488	NGPVBKVRZCNEOE-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091645
C[C@@H]1[C@@H](NC(=O)N2CCCc3c(cnn3C)C2)CCN1Cc1ccccc1	ZINC22_334127675	367.488	QRGQGLWPBABFQS-APWZRJJASA-N	00000010100000110101000000000010000000000000000000000000	31-01-091646
C[C@H]1[C@@H](NC(=O)N2CCCc3c(cnn3C)C2)CCN1Cc1ccccc1	ZINC22_334127676	367.488	QRGQGLWPBABFQS-LPHOPBHVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091647
C[C@H]1[C@H](NC(=O)N2CCCc3c(cnn3C)C2)CCN1Cc1ccccc1	ZINC22_334127677	367.488	QRGQGLWPBABFQS-QFBILLFUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091648
C[C@@H]1[C@H](NC(=O)N2CCCc3c(cnn3C)C2)CCN1Cc1ccccc1	ZINC22_334127678	367.488	QRGQGLWPBABFQS-VQIMIIECSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091649
CC(=O)N1CCC(CC1)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_99848840	367.488	RKAYIIOHZBSWPY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091650
CN1CCC(CC1)Nc1ccccc1NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318304050	367.488	FVIBFMWOZWJRJW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091651
CN1CCCn2c(C1)cc(n2)C(=O)NCCN1CC[C@@H](C1)c1ccccc1	PC-id_95137434	367.488	INPATIHCBFHFIK-SFHVURJKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091652
CN1CCCn2c(C1)cc(n2)C(=O)NCCN1CC[C@H](C1)c1ccccc1	PC-id_99959104	367.488	INPATIHCBFHFIK-GOSISDBHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091653
CN1CCN(c2ccc(C(=O)NCc3n[nH]c4c3CCCCC4)cc2)CC1	ZINC22_670444351,EMOLS-id_222761043,MCULE-9176386749	367.488	ULOZKSDHIRHOQA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091654
CN(Cc1ccccc1CN1CCCC1)C(=O)c1nnc2n1CCCCC2	PC-id_90652282	367.488	SCFTYFGNFUEIKT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091655
CN(C)[C@@H]1CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3)C1	PC-id_95141808,ZINC22_65493788	367.488	DCOMEBLMVCUXSM-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091656
CN(C)[C@H]1CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3)C1	ZINC22_65493791,PC-id_95141810	367.488	DCOMEBLMVCUXSM-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091657
CN(C(=O)C1CCn2c(CC1)nnc2)C1CCCN(C1)Cc1ccccc1	EMOLS-id_319651385	367.488	UVQLKZFUVWZHJD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091658
n12CCCCCc1nnc2CNC(=O)CN1CCC(CC1)c1ccccc1	SYN-22961110,CoCoCo_507194,MCULE-6403457504,CoCoCo_507195,PC-id_46977699,ZINC22_19661317,EMOLS-id_30450489	367.488	WMYAEQDXTVQGGQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091659
n12CCCCCc1nnc2CNC(=O)CN1CCCC(c2ccccc2)C1	EMOLS-id_46620748,PC-id_72879617,MCULE-1805787457	367.488	JWYRULOIUNBBNR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091660
n12CCN(CCc1nnc2CNC(=O)C(C)CC)CC=Cc1ccccc1	PC-id_75102661,MCULE-7278809390	367.488	BYAZDWWNLJFZGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091661
N#CCCCOc1cccc(c1)CNCCCc1nnc2n1CCCCC2	PC-id_119110704,MCULE-5205228490,EMOLS-id_51656214	367.488	FRRIWUJSHWSQSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091662
O=C1CCCCc2c1ccn2CCCN1CCCN(CC1)c1ncccn1	PC-id_142210968	367.488	LEDHPDZQPIQJFY-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-091663
O=C(C1CC1)NC(c1nnc2n1CCN(CC2)CCCc1ccccc1)C	PC-id_45184703,ChEMBL-DNDi_CHEMBL20896735	367.488	HKAMZMRFGLNWOJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-091664
O=C(C1CC1)N[C@@H](c1nnc2n1CCN(CC2)CCCc1ccccc1)C	CoCoCo_1216591,CoCoCo_1216590,PC-id_26282642	367.488	HKAMZMRFGLNWOJ-MRXNPFEDSA-N	00100000100000110101000000000010000000000000000000000000	31-01-091665
O=C(C1CC1)N[C@H](c1nnc2n1CCN(CC2)CCCc1ccccc1)C	CoCoCo_1216593,CoCoCo_1216592,PC-id_26282644	367.488	HKAMZMRFGLNWOJ-INIZCTEOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-091666
O=C(C1CCC1)NCCc1nnc2n1CCN(CC2)Cc1ccc(cc1)C	CoCoCo_1120028,PC-id_30852045,CoCoCo_1120029	367.488	BGSUOGUEWRMFKN-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-091667
O=C(c1ccc(c(c1)C)C)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97405613	367.488	NFBCROXBBJLARQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091668
O=C(C1CCn2c(CC1)nnc2)N1CCCN(CC1)Cc1ccccc1C	EMOLS-id_319824492	367.488	DDLQFVXASLUZQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091669
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(cc1)CN1CCCCC1	EMOLS-id_319836770	367.488	WSXOEXLERDHBNT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091670
O=C(C1CCn2c(CC1)nnc2)NCC1CCCN(C1)Cc1ccccc1	EMOLS-id_316662611	367.488	QZJYLCSAQBUEBM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091671
O=C(c1cnc2n1CCCCC2)N(C1CCNCCC1)Cc1ccccn1	EMOLS-id_318135924	367.488	GJDMBSTXQOXTNL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091672
O=C(CN1CCC[C@@H](c2ccccc2)C1)NCc1nnc2n1CCCCC2	PC-id_97196265,ZINC22_95368484	367.488	JWYRULOIUNBBNR-GOSISDBHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091673
O=C(CN1CCC[C@H](c2ccccc2)C1)NCc1nnc2n1CCCCC2	PC-id_97196266,ZINC22_95368485	367.488	JWYRULOIUNBBNR-SFHVURJKSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091674
O=C(N1C(CCC1)Cc1ccccc1)NCCc1n2CCCCCc2nn1	PC-id_53537106	367.488	WUXKHXOHPRAGLN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091675
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)N1CCCCCC1	EMOLS-id_101943453	367.488	IHXIUSLEIYLULW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091676
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1N1CCCCCC1	EMOLS-id_101970483	367.488	WVATZIGNPMIONG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091677
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1N(C1CCCC1)C	EMOLS-id_101965800	367.488	ATFMJMQBISGMRT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091678
O=C(N1CCCc2c(C1)cnn2C)NC1CCCN(C1)Cc1ccccc1	EMOLS-id_101722074	367.488	ZQOATXOMRBSANA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091679
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(C1)C(c1ccccc1)C	EMOLS-id_101719884	367.488	CQMNEBIQRLVIRL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091680
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(C1C)Cc1ccccc1	MCULE-9474278343,EMOLS-id_101706191	367.488	QRGQGLWPBABFQS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091681
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(CC1)Cc1ccccc1	EMOLS-id_101730426	367.488	QYLXUFXRSXGURL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091682
O=C(N1CCCc2c(C1)cnn2C)NCC1(Cc2c(C1)cccc2)N(C)C	EMOLS-id_101716782	367.488	QBBHECNREDOGKG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-091683
O=C(N1CCCc2c(C1)cnn2C)NC(c1cccc(c1)N1CCCC1)C	EMOLS-id_101714804	367.488	YUQYIRAACNOFSI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091684
O=C(N1CCCc2c(C1)cnn2C)NCc1ccccc1N1CCCCC1	EMOLS-id_101703230	367.488	YDDLFCKEEYJDOF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091685
O=C(N1CCCn2c(C1)c(nn2)CN1CCCCC1)CCc1ccccc1	PC-id_97519663	367.488	INCLSEVAAWPSHJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091686
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(cc1)CC	PC-id_46449559	367.488	FCSFKYVCJGESHB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091687
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O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc(c(cc1)C)C	PC-id_51308078	367.488	WCDAVXWSBFQUJV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091690
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cc1c(cccc1)C	PC-id_51308090	367.488	ZDOXRQJWQQLUDW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091691
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cc1ccc(cc1)C	PC-id_51308091	367.488	FMPVEXXMKFEPAP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091692
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CCc1ccccc1	PC-id_51308065	367.488	LGYOQTXLHARGHY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091693
O=C(N1CCN(C(C1)(C)C)Cc1ccccc1)C1CCn2c(CC1)nnc2	EMOLS-id_320130034,MCULE-2268020575	367.488	BDWAAZNWJPJSLE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091694
O=C(NC1CCCC1)CCc1nn2c(c1)CN(CCC2)Cc1ccncc1	PC-id_72858203,EMOLS-id_46039907,MCULE-6632297191	367.488	NCBHORFHDGTLFV-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-091695
O=C(NC1CCCCC1)N(Cc1n2CCCCCc2nn1)c1ccccc1	PC-id_7565874	367.488	RFOWZCVENSCRID-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091696
O=C(N(Cc1c(CN2CCCC2)cccc1)C)c1nn2CCCNCc2c1	PC-id_50968543	367.488	KQDROZSFAALDRB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091697
O=C(NCc1nnc2n1CCCCC2)c1ccc(CN2CCCCC2)cc1	PC-id_47019781,ZINC22_48230065,MCULE-4824655257,EMOLS-id_30637294	367.488	BGPIDALATPKDRC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091698
O=C(NCCC1CN(CC2CCCC2)Cc2ccnn2C1)c1cccnc1	EMOLS-id_50374591	367.488	URVUKLQHGPHBBN-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-091699
O=C(NCCc1nnc2n1CCCCC2)N1CCC[C@H]1Cc1ccccc1	ZINC22_45383696,PC-id_94049033	367.488	WUXKHXOHPRAGLN-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091700
O=C(NCCc1nnc2n1CCCCC2)N1CCC[C@@H]1Cc1ccccc1	ZINC22_45383700,PC-id_94049034	367.488	WUXKHXOHPRAGLN-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091701
O=C(NCC[C@@H]1CN(CC2CCCC2)Cc2ccnn2C1)c1cccnc1	ZINC22_247513710	367.488	URVUKLQHGPHBBN-GOSISDBHSA-N	00000010100000101101000000000010000000000000000000000000	31-01-091702
O=C(NCC[C@H]1CN(CC2CCCC2)Cc2ccnn2C1)c1cccnc1	ZINC22_247513718	367.488	URVUKLQHGPHBBN-SFHVURJKSA-N	00000010100000101101000000000010000000000000000000000000	31-01-091703
O=C(NCCN1CC(CC1)c1ccccc1)c1nn2CCCN(Cc2c1)C	PC-id_50975967	367.488	INPATIHCBFHFIK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091704
CN=C(N1CCN(CC1)c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_110961777	367.491	MTEBJKAFDIEGDT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091705
CN=C(NC1CCN(C1)c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111909035	367.491	SCIFONTXPAMJMP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091706
O=C(c1sc2c(c1)CCCCCC2)NC(C(=O)O)CCOC(C)(C)C	PC-id_120232164	367.503	LXZQYEDESJEABA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-091707
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s1c2c(CCCCC2)cc1C(=O)N1CCC(CC1)C(=O)c1ccccc1	PC-id_24682941	367.504	KUUOSNLCWLIEOF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-091710
c1(NC(=O)CCC(=O)N(CCCC)CCO)sc2c(CCCCC2)n1	EMOLS-id_334745280,MCULE-4724486168	367.506	CZTNEZIEBABBHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091711
c1(NC(=O)CCC(=O)NCCCOC(C)C)sc2c(CCCCC2)n1	EMOLS-id_334957355,MCULE-1188002440	367.506	GZKFDHUWRFGMKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091712
CC(N1CCCn2c(C1=O)cc(c2)S(=O)(=O)NC1CCCCCC1)C	EMOLS-id_33087754,PC-id_53182966,MCULE-6713481434	367.506	LDWAOXGXHWDGLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091713
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COCCOC1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101069062	367.506	TWBQBJJOVLESHY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-091715
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)C)C(=O)OC	PC-id_8896749	367.506	LOWSIHUCBFVZAD-UHFFFAOYSA-P	00000000100010000101000000000010000000000000000000000000	31-01-091716
s1c2CCCCCCc2nc1NC(=O)CCCNC(=O)OC(C)(C)C	PC-id_56036236	367.506	DWVADQIBGJWWIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091717
c1(NC(=O)c2ccc(cc2)N(CC)CC)sc2c(CCCCC2)c1C#N	PC-id_3290407,EMOLS-id_5471494,ZINC22_3893412,CoCoCo_5015295,MCULE-8826037944	367.508	KCTSKRFNJMIWPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091718
c1(NC(=O)CCCc2c3ccccc3n(C)c2)sc2c(CCCCC2)n1	EMOLS-id_323404116,MCULE-8689472052	367.508	UYHWHGVIQRHJFX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091719
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Cc1ccc(C)c(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	ZINC22_24976741,CoCoCo_4223157,PC-id_32286864	367.508	TXAAWKPACZCZMZ-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091721
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Cc1cccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1C	ZINC22_12556170,CoCoCo_4223516,PC-id_25355892	367.508	IIQQIZCNIHFODA-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091724
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Cc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1	ZINC22_12556264,CoCoCo_4223539,PC-id_25355958	367.508	YBSDUCXQFKNWLA-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091728
C/C=CC=C
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CC(C)n1cc(CC(=O)Nc2nc3CCCCCc3s2)c2ccccc12	MCULE-9363446004,EMOLS-id_323418193	367.508	UDRDWPCHPSPYKF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091730
CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1	EMOLS-id_3252634,PC-id_2085217,CoCoCo_3564375,CoCoCo_3564376,MCULE-8555296410,ZINC22_2623282	367.508	OZJLCASOWAVAMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091731
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s1c2CCCCCc2c(c1NC(=O)[C@H](N[C@H](c1ccccc1)C)C)C#N	PC-id_9248789	367.508	MHVBMZBHGKWSRG-LSDHHAIUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091739
s1c2CCCCCc2c(c1NC(=O)[C@H](N[C@@H](c1ccccc1)C)C)C#N	PC-id_9248791	367.508	MHVBMZBHGKWSRG-HUUCEWRRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091740
s1c2CCCCCc2c(c1NC(=O)C(Nc1ccc(cc1)CC)C)C#N	PC-id_55430420	367.508	XBVAXJFAVJESKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091741
s1c2CCCCCc2c(c1NC(=O)CN(Cc1c(cccc1)C)C)C#N	PC-id_27215940	367.508	BYODRYPKFLLYQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091742
s1c2CCCCCc2c(c1NC(=O)C(NC(c1ccccc1)C)C)C#N	PC-id_84963160	367.508	MHVBMZBHGKWSRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091743
CC1S(=O)CCN(C1C)C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_111062481	367.509	WMINABKBGDLPHV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-091744
CN(C)S(=O)(=O)N1CCCn2nc(CN3C[C@@H]4CCC[C@H]3C4)cc2C1	PC-id_56892941,EMOLS-id_43101703,ZINC22_72422034,MCULE-6871989065	367.509	ZNFXIEYKZTXYNS-ZBFHGGJFSA-N	00000010100010000101000000000110000000000000000000000000	31-01-091745
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O=S1(=O)CCN(CC1)C1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_99799229	367.509	RSJYNAVUOJRIQC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-091747
O=S(=O)(C1CCCC1)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_58166183,EMOLS-id_32161491,PC-id_47092484,MCULE-9729071353	367.509	ZMTJKHZZLIKQLB-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-091748
S=c1n2CCCCCc2nn1CN1CCN(CC1)C(=O)OC(C)(C)C	PC-id_60359662	367.509	RMJRADDPPSTMOD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-091749
S(CC[C@H](N)C(=O)N1Cc2n(nc(CN3CCOCC3)c2)CCC1)C	PC-id_56916576	367.509	ONWUWUOZEDFHPW-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-091750
S(CCC(N)C(=O)N1Cc2n(nc(CN3CCOCC3)c2)CCC1)C	PC-id_76440058	367.509	ONWUWUOZEDFHPW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-091751
S(=O)(=O)(N1Cc2n(nc(CN3C4CC(C3)CCC4)c2)CCC1)N(C)C	PC-id_76425502	367.509	ZNFXIEYKZTXYNS-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-091752
Cc1ncsc1CN1Cc2cccn2C[C@@H](CCNc2ccccn2)C1	ZINC22_585095063	367.511	CKCAUVRHKAUTPM-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091753
Cc1ncsc1CN1Cc2cccn2C[C@H](CCNc2ccccn2)C1	ZINC22_585095064	367.511	CKCAUVRHKAUTPM-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091754
Cc1ncsc1CN1CC(CCNc2ccccn2)Cn2cccc2C1	EMOLS-id_313837601	367.511	CKCAUVRHKAUTPM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091755
O=C(N(C1CCS(=O)(=O)C1)C1CC1)c1sc2c(c1)CCCCCC2	EMOLS-id_110635121	367.526	WIKDJIBDPRWWPI-UHFFFAOYSA-N	00100010100000000100000000000010000000000000000000000000	31-01-091756
s1c2c(CCCCCC2)c(c1NC(=O)CSCC=C)C(=O)OCC	PC-id_4279192	367.526	XOSVDLQRWMRXDB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-091757
Cc1ccsc1CN1Cc2cccn2C[C@@H](CCNS(=O)(=O)C)C1	ZINC22_585095099	367.529	FRTJRGMOJDSUOA-HNNXBMFYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-091758
Cc1ccsc1CN1Cc2cccn2C[C@H](CCNS(=O)(=O)C)C1	ZINC22_585095100	367.529	FRTJRGMOJDSUOA-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-091759
Cc1ccsc1CN1CC(CCNS(=O)(=O)C)Cn2cccc2C1	EMOLS-id_313836067	367.529	FRTJRGMOJDSUOA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-091760
CCCCCC(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_6851812,PC-id_20166096	367.529	GTGFKOLKJPOBOE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-091761
O=C(Nc1nc2c(s1)CCCCC2)CSCC(=O)N1CCCCC1	EMOLS-id_98320503	367.529	XCRYRYPANMSPGK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-091762
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)C)C(=O)OC	PC-id_19653814	367.529	ARWKQSMVHBTUBO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-091763
c12CN(CCC)CCCn1nc(CNC1CCN(CC1)c1ccccc1)c2	ZINC22_82108887,EMOLS-id_44435003,PC-id_70737472,MCULE-4989959743	367.531	KROQQRAYXNBXEM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091764
c12CN(CCCn1nc(CN1CCC(N(C)C)C1)c2)CCc1ccccc1	EMOLS-id_43164734,PC-id_56911742,MCULE-3041681801	367.531	BOJIOGYTJOCOFN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091765
c1ccc(CCCN2CCCN(Cc3cc4n(n3)CCCNC4)CC2)cc1	PC-id_56897682,EMOLS-id_43121057,MCULE-2652968100,ZINC22_72158283	367.531	SOUFEEGXHRPHCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091766
c1(CN(C)CC2(CCNCC2)c2ccc(cn2)C)c2CCCCCc2[nH]n1	MCULE-2155891981,ZINC22_67692342,EMOLS-id_32405812,PC-id_50968029	367.531	XPZOEUYZUPXGSF-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-091767
CN(Cc1ccccc1)CC1CCN(Cc2nnc3n2CCCCC3)CC1	MCULE-9805950038,ZINC22_225540639,PC-id_100671681,EMOLS-id_53755513	367.531	HZHDIISTIJKVMG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-091768
CN(C)[C@@H]1CCN(Cc2cc3n(n2)CCCN(CCc2ccccc2)C3)C1	ZINC22_72166118	367.531	BOJIOGYTJOCOFN-OAQYLSRUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091769
CN(C)[C@H]1CCN(Cc2cc3n(n2)CCCN(CCc2ccccc2)C3)C1	ZINC22_72166119	367.531	BOJIOGYTJOCOFN-NRFANRHFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091770
[NH+]1(CC(CCC=C(C)C)C)CCn2c(nnc2CCc2ccccc2)CC1	PC-id_74501338	367.551	UTYZSUAFYIAPMH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-091771
[NH+]1(C[C@H](CCC=C(C)C)C)CCn2c(nnc2CCc2ccccc2)CC1	PC-id_26355211	367.551	UTYZSUAFYIAPMH-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-091772
[NH+]1(C[C@@H](CCC=C(C)C)C)CCn2c(nnc2CCc2ccccc2)CC1	PC-id_26355213	367.551	UTYZSUAFYIAPMH-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-091773
CNC1CCCCc2c1cn(c2)Cc1ccc(cc1Cl)Br	PC-id_116075794	367.711	DXKOFQOTTLYCPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091774
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1cc(cc(c1)Cl)F	PC-id_86346111,SCHEMBL16100641	367.759	ISYTWZNACAFAGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091775
n1c(C(CO)O)cc2CN(CCCn12)C(=O)Cc1ccc(cc1Cl)F	PC-id_91786910,MCULE-2050632730,EMOLS-id_55679761	367.802	PZWUMNDHHRIESJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091776
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1ccc(cc1Cl)F)O	PC-id_99984231	367.802	PZWUMNDHHRIESJ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091777
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1ccc(cc1Cl)F)O	PC-id_99984237	367.802	PZWUMNDHHRIESJ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091778
C1Cc2nn(c(=O)n2CCC1N)CC(=O)NCc1c(cc(cc1)F)Cl	PC-id_91910889,MCULE-5320785216,EMOLS-id_50590558	367.806	REFCIOUOUCWDFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091779
C[C@H](NC(=O)NCc1nnc2n1CCOCC2)c1ccc(F)cc1Cl	EMOLS-id_316748981,MCULE-9048771223,ZINC22_1615592920	367.806	VZLJHYNCCHOQNL-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-091780
c1(NC(=O)c2c(cccc2F)Cl)sc2c(CCCCC2)c1C(=O)O	PC-id_28860455,MCULE-4640832316,EMOLS-id_179129687	367.822	OWPKOXPCZKTZTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091781
CCS(=O)(=O)c1ccc(c(c1)C(=O)N1CCCc2c(C1)cco2)Cl	MCULE-1625181672,EMOLS-id_316864960	367.847	AIWPPNRDEAXSMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091782
c1(cn2c(C(=O)N(CCC2)C)c1)S(=O)(=O)NCc1ccccc1Cl	EMOLS-id_33086844,PC-id_53182875,MCULE-4769671960	367.85	IYVQNYDLWUSHSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091783
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cccc(Cl)c1	EMOLS-id_33087250,MCULE-5927194104,PC-id_53182917	367.85	UMVIBRWOUYRBKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091784
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(Cl)cc1	EMOLS-id_33087252,PC-id_53182918,MCULE-1161994018	367.85	BEKOARUKESSQNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091785
Clc1cccc(c1)CNS(=O)(=O)c1cn2c(c1)C(=O)N(CCC2)C	PC-id_53182885	367.85	OSHIQMBOIADQRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091786
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)Cn1cc(Cl)cn1	EMOLS-id_313791283,ZINC22_1565552516	367.854	YFQJCXJRSJUFTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091787
CCOC(=O)N1CCc2c(CC1)cc(s2)Cc1c(F)cccc1Cl	PC-id_68471520,SCHEMBL2998419	367.865	HMUQCAMIWVSTOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091788
c1(CN2CCCn3c(cc(n3)C(CO)O)C2)nc([nH]c1Cl)CCCC	MCULE-9676825530,EMOLS-id_55707952,PC-id_91796497	367.874	YGHVPWVFOYSZLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091789
CCCCc1nc(c([nH]1)CN1CCCn2c(C1)cc(n2)[C@H](CO)O)Cl	PC-id_99997067	367.874	YGHVPWVFOYSZLH-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091790
CCCCc1nc(c([nH]1)CN1CCCn2c(C1)cc(n2)[C@@H](CO)O)Cl	PC-id_99997071	367.874	YGHVPWVFOYSZLH-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091791
O=C(C1=CC=Cc2c(C(=C1)C)scc2)CCC(=C)c1ncccc1Cl	PC-id_139563349,SCHEMBL21441387	367.892	JDAZSJLPJYTEMX-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-091792
Clc1ccc(cc1S(=O)(=O)N1CCCc2c(C1)cnn2C)C(C)C	EMOLS-id_101950959	367.893	GESJDVNLFYSIGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091793
Clc1ccc(cc1)C[N@@H+]1CCc2n(CC1)c(nn2)CCc1ccccc1	GD-id_ZINC14881612	367.895	VFFNBAXBDUEZAS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-091794
Clc1cc(C[NH+]2CCn3c(nnc3CCc3ccccc3)CC2)ccc1	PC-id_42539607	367.895	KOZGTXMSYOHTLL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-091795
CCN(C(=O)NCc1nnc2n1CCCCC2)Cc1ccc(s1)Cl	EMOLS-id_318432820	367.897	AVGPXDLPEGQVLT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-091796
CN(Cc1ccc(Cl)s1)C(=O)NCCc1nnc2n1CCCCC2	ZINC22_45607572,PC-id_52220588	367.897	YEBYLMFQYBHJKU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-091797
Clc1cc(C[NH+](Cn2nc3n(CCCCC3)c2=S)C)c(OC)cc1	PC-id_9332335	367.917	GOQRDWMRYGLGKJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-091798
O=NCc1sc2c(c1)C(=N)C(CCS2)N(C1CC=C(C=C1)Cl)C	PC-id_141848690	367.917	OJXDFAXEFKDHBX-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-091799
CC1=C(C2=CC=CC=CC2=C1C(=O)O)C(=O)C3=CC=C(C=C3)Br	PC-id_153789378	368.005	NDHTWTJXSTYWDZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-091800
C1CCc2nc(SSc3nc4c(s3)CCCCC4)sc2CC1	PC-id_137644518,BindingDB_PC-id_137644518,PD137304	368.05	NXLFLCFGMLFSHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091801
CCOC(=O)C1=C2C(=CC(=N2)C(=O)OC(=O)C3=CC=CC=C3F)C=CN=C1	PC-id_151768970	368.081	RSEOAZGDWCQFJZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-091802
C1C(C(=O)NN2C=CC=C2S1)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4	PC-id_155069310	368.106	GKXLEPFFFFZASE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091803
CC(C1CCCC2=C(C1)SC=C2C(=O)N)C(=O)C3=C4C=NC=CN4N=C3	PC-id_165143757	368.131	ZUUMQRCXIDCBEC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091804
CC1=CC(=C(C=C1)F)CN(CC2=NN=C3N2CCOCC3)S(=O)(=O)C	MCULE-8458801118,EMOLS-id_317738970,PC-id_154788438	368.132	DAGQEQMUJRMNHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091805
[125I]c1ccc(Cn2oc3c(CCNCC3)c2=O)cc1	PC-id_71562551	368.186	FKXIIGYVOKUNNO-VLPIPSKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-091806
Brc1cccc(n1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965974,PC-id_71569662	368.186	FCDKPIJCYKRQAX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091807
Brc1ccc(cn1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14966128,PC-id_89580422	368.186	WHNMIZHKOYHCNM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091808
Brc1cc(CN2CCn3c(OCC2)nc([N+](=O)[O-])c3)cnc1	SCHEMBL14965821,PC-id_71569657	368.186	CKDIYVPXIBPRLO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091809
Brc1ccc(nc1)CN1CCn2c(OCC1)nc([N+](=O)[O-])c2	SCHEMBL14965663,PC-id_71569658	368.186	OQPVTZSFSDHICV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091810
Brc1nccc(c1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_71569656,SCHEMBL14965629	368.186	PZEOSGKDPJSXNF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091811
C1CCc2c(CC1)sc(c2C(=O)O)NC(=O)C(F)(F)Br	SCHEMBL20541757,PC-id_135363011	368.194	QRNSODCXEJOJNY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-091812
Brc1c2-c(c(/C=C/3c4c(NC3=O)ccc(F)c4)c1)ccccc2	PC-id_59301614	368.199	WWKLIMGVFXBOFY-LZYBPNLTSA-N	00000010100000100110000000001010000000000000000000000000	31-01-091813
Brc1c2-c(c(C=C3c4c(NC3=O)ccc(F)c4)c1)ccccc2	PC-id_68580212,SCHEMBL3282715	368.199	WWKLIMGVFXBOFY-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-091814
Brc1c2-c(c(/C=C/c4c(NC3=O)ccc(F)c4)c1)ccccc2	SCHEMBL3282713,PC-id_59301644	368.199	WWKLIMGVFXBOFY-PXNMLYILSA-N	00000010100000100110000000001010000000000000000000000000	31-01-091815
CCC1CCc2c(C=C1NC(=O)c1ccc(cc1)O)cc([nH]2)C(CC)OC	PC-id_164136874	368.21	YSTDMMLTQZFZTQ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-091816
Clc1c(C(=O)N2CCCn3c(C2)cc(c3)C(=O)NO)c(Cl)ccc1	SCHEMBL12210595,PC-id_58465730	368.215	CNDXYPFADRLFPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091817
Ic1ccc(NCc2n3c(CCCCC3)nn2)cc1	ZINC22_3172627,EMOLS-id_2854043,PC-id_2311149,MCULE-6485405593,GD-id_ZINC03172627,CoCoCo_3724577	368.216	GPCXXYKBDUYTBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091818
c1(C(=O)N)cn2c(CCN(CC2)C(=O)Nc2cccc(Cl)c2Cl)n1	ZINC22_1875240058,MCULE-1677079118,EMOLS-id_331088899	368.218	GUGKETWBCPIQQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091819
O=C(N1CCCc2c(C1)c[nH]n2)CNC(=O)c1cnc(c(c1)Cl)Cl	EMOLS-id_316544429	368.218	ZKFPIGZEVJZJFN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091820
OC(=O)c1cc2c(s1)CC=C(NC2=O)Cc1ccc(c(c1)Cl)Cl	PC-id_143692498	368.234	GJVXNAOZKKMECJ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-091821
C[C@@H](C1=NN=C2N1CCN(C(C2)(C)C)C(=O)OC(C)(C)C)OCCOC	ZINC22_865215186,PC-id_164631533	368.242	KQIGKLGLVSLDGO-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091822
Brc1cc(sc1)C(=O)c1n2c(C(CCCC2)C(=O)O)cc1	SCHEMBL11201074,PC-id_20483840	368.246	UHLJOBVDYSNEQY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-091823
Brc1c(scc1)C(=O)c1n2c(C(CCCC2)C(=O)O)cc1	PC-id_20483860,SCHEMBL11197148	368.246	SVMVQYPEYBPDLC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-091824
Brc1sc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2)cc1	PC-id_20484146,SCHEMBL11195366	368.246	LOFIVFHTUCUHNQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-091825
Brc1cc(cc(c1)C(=O)O)Sc1nnc2n1CCCCC2	PC-id_102823769	368.249	SZCCWESFUOOOJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091826
Brc1ccc(c(c1)C(=O)O)Sc1nnc2n1CCCCC2	PC-id_114896216	368.249	WTMXLYMUNJTZIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091827
Brc1ccc(c(c1)Sc1nnc2n1CCCCC2)C(=O)O	PC-id_114907595	368.249	RUBIBDZRTXMCNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091828
Brc1c(Sc2n3CCCCCc3nn2)ccc(c1)C(=O)O	PC-id_82789093	368.249	YHYKRQMKDHFICE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091829
OC(=O)c1c(Br)cccc1Sc1nnc2n1CCCCC2	PC-id_114888755	368.249	NWBGSXALPCYCFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091830
OC(=O)c1ccc(cc1Br)Sc1nnc2n1CCCCC2	PC-id_107282641	368.249	IETHZZGWUVBAGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091831
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1c(cccc1Cl)Cl	EMOLS-id_43090217,ZINC22_72417889,PC-id_56890160,MCULE-9373001471	368.258	LJCJHAYKCFWGOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091832
CCC(c1nnc2n1CCCCC2)NC(=O)c1ccnc(c1Cl)Cl	MCULE-2679870848,EMOLS-id_258042685	368.261	JJHCQZLKKPQBEF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091833
Clc1c(NC(=O)NCCc2n3CCCCCc3nn2)cc(Cl)cc1	PC-id_52185986	368.261	ZIYVQUHODVYACU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091834
O=C(NCCc1nnc2n1CCCCC2)Nc1ccc(Cl)c(Cl)c1	CoCoCo_4490663,PC-id_16300092,ZINC22_14093003,EMOLS-id_13409298,MCULE-7150925164	368.261	ZGAYQBLVBCDGHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091835
Brc1cc(F)c(NC(=O)c2sc3CCCCCc3c2)cc1	PC-id_7959144	368.264	GXVROQHONPLAFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091836
Brc1c(F)cc(NC(=O)c2sc3CCCCCc3c2)cc1	PC-id_65430311	368.264	RNCKWGKTMABOOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091837
Brc1c(NC(=O)c2sc3CCCCCc3c2)ccc(F)c1	PC-id_28938663	368.264	YXCHYAHYSXVPNA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091838
c1(csc2CCCCCc12)C(=O)Nc1ccc(cc1F)Br	ChEMBL-DNDi_CHEMBLC760-0935,MCULE-9746542331,EMOLS-id_16062783,PC-id_20881843,CoCoCo_2171530	368.264	WCAKAOBJYXXHCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091839
Fc1ccc(c(c1)NC(=O)c1cc2c(s1)CCCCC2)Br	PC-id_107640670	368.264	GXVGBUYJZNBGRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091840
O=C(c1cc2c(s1)CCCCC2)Nc1ccc(c(c1)Br)F	PC-id_104779488	368.264	VPQLVLZJSLGFPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091841
Brc1ccc(OCCSc2n3CCCCCc3nn2)cc1	PC-id_60626221	368.292	POPNUXWPTXHTAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091842
Brc1cc(c(Sc2n3CCCCCc3nn2)cc1)C(O)C	PC-id_82958371	368.292	LGPSFTQSMXGFRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091843
Brc1c(CSc2n3CCCCCc3nn2)cc(OC)cc1	PC-id_65326191	368.292	UCUJVPRFNOVLOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091846
Brc1cc(Sc2n3CCCCCc3nn2)c(C(O)C)cc1	PC-id_82958370	368.292	MFFRJDWBBWEPGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091847
Brc1cn(c(C(=O)Nc2sc3CCCCCc3n2)c1)CC	PC-id_56370127	368.292	SFZCMCWUDKQCEG-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-091848
Brc1c(Sc2n3CCCCCc3nn2)ccc([C@@H](O)C)c1	PC-id_63813994	368.292	YWNWUQFKFVWHGA-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-091849
Brc1c(Sc2n3CCCCCc3nn2)ccc([C@H](O)C)c1	PC-id_78951716	368.292	YWNWUQFKFVWHGA-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091850
Brc1c(Sc2n3CCCCCc3nn2)ccc(C(O)C)c1	PC-id_63813391	368.292	YWNWUQFKFVWHGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091851
CC(c1ccc(cc1Br)Sc1nnc2n1CCCCC2)O	PC-id_108342118	368.292	NTFGDMHNGRAWDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091852
C[C@@H](c1ccc(cc1Br)Sc1nnc2n1CCCCC2)O	PC-id_108342120	368.292	NTFGDMHNGRAWDJ-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-091853
C[C@H](c1ccc(cc1Br)Sc1nnc2n1CCCCC2)O	PC-id_108342122	368.292	NTFGDMHNGRAWDJ-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091854
COc1ccc(Br)cc1CSc1nnc2n1CCCCC2	ZINC22_14124530,EMOLS-id_13479715,MCULE-3417602534,PC-id_17448688,CoCoCo_4054284	368.292	UHGACYWKJUBLGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091855
Brc1cc(nc(n1)C(C)C)Sc1nnc2n1CCCCC2	PC-id_116482902	368.295	QJQLZLHVHPQKTD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091856
CCCc1nc(cc(n1)Br)Sc1nnc2n1CCCCC2	PC-id_116482903	368.295	OJJFUMIAYPMPRB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-091857
Brc1ccc(c(c1)CC(c1cc2c(s1)CCCCC2)N)F	PC-id_115839813	368.307	KALAIWOVJUJNPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091858
Brc1ccc(c(c1)F)CC(c1cc2c(s1)CCCCC2)N	PC-id_115844771	368.307	COXZLEWOOPOXPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091859
Brc1cc(C(NC)c2sc3c(CCCCC3)c2)ccc1F	PC-id_79722537	368.307	IKLXYLMABQWODF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091860
CNC(c1cc(Br)ccc1F)c1cc2c(s1)CCCCC2	PC-id_105011890	368.307	DQBFRUMGKFUQQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091861
CNC(c1cccc(c1F)Br)c1cc2c(s1)CCCCC2	PC-id_106647613	368.307	PCVQAUAPDCDGPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091862
Fc1cc(Br)cc(c1)CC(c1cc2c(s1)CCCCC2)N	PC-id_105015777	368.307	GDELHMRHEKHKBT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091863
Fc1ccc(c(c1)Br)CC(c1cc2c(s1)CCCCC2)N	PC-id_115843344	368.307	XHFKMZSBBZNDHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091864
Fc1ccc(c(c1)CC(c1cc2c(s1)CCCCC2)N)Br	PC-id_115843865	368.307	QKPIEMOLENOAJF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091865
NC(c1cc2c(s1)CCCCC2)Cc1cccc(c1Br)F	PC-id_105020694	368.307	UKUIXQAUXAMNBT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091866
NC(c1cc2c(s1)CCCCC2)Cc1ccc(c(c1)Br)F	PC-id_115819030	368.307	KNYSDVQSQHPJOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091867
c1(C(=O)O)cc2n(CCCN(C2)C(=O)Nc2ccccc2C(F)(F)F)n1	MCULE-9763160587,EMOLS-id_32399148,PC-id_50964503,ZINC22_65405817	368.311	QHXXUAPDGZFZCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091868
CC(C)(C(=O)N1CCCc2sccc2C1)c1ccc(Cl)c(Cl)c1	ZINC22_2325699980	368.321	OTKPJXJESDGXBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091869
BrC1CC2N(C(CC2)C1)C(=O)c1sc2c(c1)CCCCC2	PC-id_80670391	368.332	WMYBNWMRYKYIFF-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-091870
Brc1oc(C(NCCC)c2sc3c(CCCCC3)c2)cc1	PC-id_80211180	368.332	DWTLHQRRUMIYHY-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-091871
CCCNC(c1occc1Br)c1cc2c(s1)CCCCC2	PC-id_115861373	368.332	YHJCWSJYDXXKLR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-091872
Brc1cnn(c1C(c1cc2c(s1)CCCCC2)N)C(C)C	PC-id_105042364	368.335	YNIAUYKZZVZEMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091873
CCCn1ncc(c1C(c1cc2c(s1)CCCCC2)N)Br	PC-id_105041522	368.335	IVMAPPVVGDELNB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091874
CCn1ncc(c1C(c1cc2c(s1)CCCCC2)NC)Br	PC-id_105040264	368.335	NHLNIPRWDWUNOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091875
CCNC(c1c(Br)cnn1C)c1cc2c(s1)CCCCC2	PC-id_105053893	368.335	FNQHUMQADAZCES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091876
NC(c1cc2c(s1)CCCCC2)Cc1n(C)nc(c1Br)C	PC-id_105000543	368.335	PBUHCYQVGRARQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091877
CC1(C)CNC(=O)c2c(C1)occ2C(=O)ON1C(=O)c2ccccc2C1=O	EMOLS-id_316800144,MCULE-6062249809	368.34	MOUVRPRPJSHYCS-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-091878
N#Cc1c(sc2c1CCCCC2)NC(=O)c1cc(F)c(c(c1F)F)F	CoCoCo_3268379,PC-id_2340211	368.349	ZECMIJIGNAUJGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-091879
CN1C(=O)[C@H](CNc2c1non2)NC(=O)c1nnc([nH]1)Cc1ccccc1	PC-id_137213121,SCHEMBL19037407	368.35	BVRBIPLGQLYKNS-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-091880
CCn1c(C#Cc2ccc(cc2)C(F)(F)F)c(c2=CCC=C(C=c12)O)C#N	PC-id_143185327	368.352	SWMHNVHQZIGRDR-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-091881
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(nc1)C(F)(F)F	PC-id_56884719,MCULE-2275296888,EMOLS-id_43068001,ZINC22_72423677	368.354	QOTBTXOCDXWCNB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091882
Cc1cc2n(n1)C(CCN2C(=O)c1noc2c1CCCCC2)C(F)(F)F	EMOLS-id_102194542	368.354	KDMHVCQNDQSSDR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-091883
Cc1ccc(c(c1)OCC(F)(F)F)NC(=O)C1CCn2c(CC1)nnc2	MCULE-6147313872,EMOLS-id_319971412	368.354	LSMKMPONZRDUSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091884
CN(C(=O)C1CCn2c(CC1)nnc2)Cc1cccc(c1)OC(F)(F)F	EMOLS-id_319812506	368.354	WWESCMHJUDNEFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091885
CN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc(cc1)OC(F)(F)F	EMOLS-id_320082555,MCULE-4448072842	368.354	FXBNNFHSUAAWSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091886
COc1ccc(c(c1)C(F)(F)F)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316648801	368.354	PSRZOKVCOVJEIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091887
FC(F)(F)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1C	PC-id_60551134	368.354	MMIIXKXEIGAHIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091888
FC(F)(F)Oc1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51304497	368.354	ROGQFCFDHCKIJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091889
FC(Oc1cccc(c1CNC(=O)N1CCCc2c(C1)cnn2C)F)F	EMOLS-id_318104625	368.354	QVZRAZVQRSVWBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091890
OC(c1cccc(c1)C(F)(F)F)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320040489,MCULE-8792234864	368.354	WXCQGTPFVDMCLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091891
O=C(C1CCn2c(CC1)nnc2)NCCc1ccc(cc1)OC(F)(F)F	EMOLS-id_316642653	368.354	NTICZKLHBINCFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091892
O=C(C1CCn2c(CC1)nnc2)NCC(C(F)(F)F)(c1ccccc1)O	EMOLS-id_320142529,PC-id_146108846,MCULE-7002265002	368.354	DOEQHKHKTCDCMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091893
O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCc2nncn2CC1	ZINC22_878624016	368.354	DOEQHKHKTCDCMB-BLLLJJGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091894
O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCc2nncn2CC1	ZINC22_878624017	368.354	DOEQHKHKTCDCMB-LRDDRELGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091895
O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCc2nncn2CC1	ZINC22_878624018	368.354	DOEQHKHKTCDCMB-MLGOLLRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091896
O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCc2nncn2CC1	ZINC22_878624019	368.354	DOEQHKHKTCDCMB-WBMJQRKESA-N	00000000100000110101000000000010000000000000000000000000	31-01-091897
NC(=NCc1nnc2n1CCCCC2)Nc1ccc(cc1)OC(F)(F)F	PC-id_111031916	368.357	HZWMPUWXTFESSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091898
NC(=NCc1nnc2n1CCCCC2)Nc1ccccc1OC(F)(F)F	PC-id_112380210	368.357	WCXWCQLNJAIDFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091899
NC(=NCc1nnc2n1CCCCC2)Nc1cccc(c1)OC(F)(F)F	PC-id_120337277	368.357	GBIQTXGJLDHZTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091900
CC1C=Cc2c(S(=O)(=O)N1)nn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353498	368.358	OYVBCIPPHVIVGC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-091901
C1CN(Cc2cc(nn2C1)C(=O)Nc1ccccc1F)C(=O)c1ccco1	PC-id_137656627	368.362	LMQPAMBIKLEQEN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-091902
c1(c[nH]nc1c1cccc(F)c1)C(=O)N1CCn2c(CC1)nc(C(=O)N)c2	MCULE-3377805671,EMOLS-id_331146289,ZINC22_1875250853	368.365	MNZHGVNBDUGGOB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091903
Cc1cnc(cn1)C(=O)N1CC(Cn2nccc2C1)Oc1ncccc1F	EMOLS-id_50016102	368.365	POBFUXZEFATYJL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091904
Cc1cnc(C(=O)N2Cc3ccnn3C[C@@H](Oc3ncccc3F)C2)cn1	ZINC22_306136246	368.365	POBFUXZEFATYJL-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091905
Cc1cnc(C(=O)N2Cc3ccnn3C[C@H](Oc3ncccc3F)C2)cn1	ZINC22_306136247	368.365	POBFUXZEFATYJL-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091906
COc1ccc(cc1)S(=O)(=O)N1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14966078,PC-id_89580384	368.365	IXZODMVCZGXHFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091907
Fc1ccc(cc1)C(=O)N1CCc2nnc(COc3cncnc3)n2CC1	PC-id_97405419,ZINC22_96084595,EMOLS-id_46182195	368.365	WWFOZASVDBCSIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091908
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)c2cc[nH]n2)c1	ZINC22_1565544070,EMOLS-id_313763533	368.365	CSSPFDCJMXTLQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091909
s1c2CCCCCCc2cc1C(=O)/N=C
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c1(C(=O)Nc2sc3c(CCCCC3)c2C#N)n(C)nc(C(F)(F)F)c1	CoCoCo_6578121,EMOLS-id_4045799,MCULE-5872552344,PC-id_4766877,ZINC22_2751938	368.377	MSIIDSZEEOXIFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091911
O=C(Nc1c(F)cc(F)cc1c1ccccc1)N1CCCc2occc2C1	ZINC22_583657392	368.377	KKDBKTZIJVGDCB-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-091912
O(c1c2-c(cc1)ccccc2)C(=O)C=CC(=O)Oc1c2-c(cc1)ccccc2	PC-id_69703993	368.381	ZZQZSOOZBSPPRS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-091913
O=C(Oc1ccc2-c1ccccc2)/C=CC(=O)Oc1ccc2-c1ccccc2	SCHEMBL6207259	368.381	ZZQZSOOZBSPPRS-NXVVXOECSA-N	00000010100000000110000000000010000000000000000000000000	31-01-091914
CCOC(=O)c1c2-c(c(c1NC(=O)C)C(=O)OCC)ccc(cc2)CC#N	PC-id_102370816	368.383	DQYUNBGRABCRCQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-091915
O=C(O)c1cc(S(=O)(=O)NCc2nnc3n2CCCCC3)ccc1F	ZINC22_13088873,PC-id_45421297,MCULE-2087428955,EMOLS-id_45730143	368.383	NWUWWYRBWKCDTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091916
OC(=O)CN1CCN(Cc2[nH]c(CN(CC1)CC(=O)O)cc2)CC(=O)O	SCHEMBL9215877,PC-id_15069682	368.385	HHHWODFNTZHHBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091917
COCCCn1c(NC(=O)c2ccccc2)nc2=CCC(=CN=c12)C(=O)O	PC-id_143413969	368.386	LTBVSEGKGRNBFM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-091918
O(c1c(cc(C(=O)c2c3-c(nc(n3)NC)c(O)cn(c2=O)C)cc1C)C)C	PC-id_49837081	368.386	OHVFVKKGFGENMJ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-091919
O(c1c(cc(C(=O)c2c3nc([nH]c3cc(=O)n(c2=O)C)NC)cc1C)C)C	PC-id_49837080	368.386	YCXWUBKZLYBSCD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-091920
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_90625588	368.388	RPJLMPUKHQPMAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091921
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	PC-id_90625601	368.388	YIXZUURRAFCTGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091922
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1cccc(c1)[N+](=O)[O-]	PC-id_90625614	368.388	ZWTRSRKRRZVMJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091923
c1ccc(cc1)C(=O)Nc1nc2c([nH]1)ccccc2=NC(=O)c1ccccc1	PC-id_135455661	368.388	JEMSEWKKNBERNJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-091924
C1Cn2cc(nc2OCCN1CC(=O)NCCN1CCOCC1)[N+](=O)[O-]	PC-id_89580341,SCHEMBL14966018	368.388	RBLYRIQJLHIHOZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-091925
O=C(Nc1c2-c(nc(n2)NC(=O)c2ccccc2)cccc1)c1ccccc1	PC-id_11726513	368.388	TUMPVIMCSZIMKN-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-091926
c12C(CCCCn1nnn2)C(=O)NCc1cc(on1)c1ccc(cc1)OC	MCULE-2653983898,EMOLS-id_68876998,PC-id_118764128	368.39	BSKZNDGNNIEFNH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091927
c12C(CCCCn1nnn2)C(=O)NCc1cc(on1)c1cccc(OC)c1	MCULE-8956920485,EMOLS-id_68912469,PC-id_118781096	368.39	LAAGRXYXMBHAPA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091928
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1cnc2c(c1)ncn2C	ZINC22_72424032,MCULE-1654195273,PC-id_70732191,EMOLS-id_43104185	368.39	NGGUAALJKOVHKD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091929
c1(cnn2cc(C)cnc12)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	EMOLS-id_43137076,ZINC22_72439558,MCULE-7476133373,PC-id_56902408	368.39	OJCLXLHHYFWLEJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091930
c1(C(=O)N)cn2c(CCN(CC2)C(=O)c2cccc(c2)N2CCNC2=O)n1	EMOLS-id_331126293,MCULE-4232727100,ZINC22_1875244148	368.39	APLLUKADJIBDEG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091931
c1(C(=O)OC)cc2n(CCCN(C(=O)CCn3c4ccccc4nn3)C2)n1	ZINC22_65385752,MCULE-8405016270,EMOLS-id_32383880,PC-id_50956432	368.39	LETATSRWLDYLNS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091932
C1(=O)N(c2ccc(cc2)C(=O)NCc2cc3n(CCCNC3)n2)CC(=O)N1	MCULE-9564005406,ZINC22_82156925,EMOLS-id_44449515,PC-id_70779230	368.39	OSKAAGVPFPAVKV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-091933
Cc1cc(C(=O)N2CCc3nnc(COc4cncnc4)n3CC2)c(C)o1	ZINC22_96084596,PC-id_97405420,EMOLS-id_46182197	368.39	ZSSLYZCIRLUQCR-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-091934
Cc1onc(n1)c1cccc(c1)NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_86846684	368.39	HQXAYCJNIFGFHS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091935
COc1ccc(c2cc(CNC(=O)[C@H]3CCCCn4nnnc34)no2)cc1	ZINC22_299764631	368.39	BSKZNDGNNIEFNH-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091936
COc1ccc(c2cc(CNC(=O)[C@@H]3CCCCn4nnnc34)no2)cc1	ZINC22_299764633	368.39	BSKZNDGNNIEFNH-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091937
COc1cccc(c2cc(CNC(=O)[C@H]3CCCCn4nnnc34)no2)c1	ZINC22_299785630	368.39	LAAGRXYXMBHAPA-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091938
COc1cccc(c2cc(CNC(=O)[C@@H]3CCCCn4nnnc34)no2)c1	ZINC22_299785632	368.39	LAAGRXYXMBHAPA-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091939
n1(CC(=O)N2CCCn3nc(CCC(=O)O)cc3C2)nc2c(cccc2)n1	EMOLS-id_43057608,PC-id_56882176,ZINC22_72422725,MCULE-8642131364	368.39	VKKYPVARGRYZPP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091940
N1(C(=O)CNC1=O)CC(=O)N1CCn2c(CC1)nc(Cc1ccccc1)n2	EMOLS-id_337783618,MCULE-3013874536,ZINC22_2356152595	368.39	QVAGSAWRZCRDHO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091941
N1(C(=O)CNC1=O)CC(=O)N1CCn2c(CC1)nnc2Cc1ccccc1	MCULE-7342994112,ZINC22_91951726,EMOLS-id_46088157,PC-id_72924643	368.39	AQWQFLGHJQDTEE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-091942
O=C1CC(c2ccc(NC(=O)[C@@H]3CCc4nnnn4CC3)cc2)CC(=O)N1	ZINC22_573974787	368.39	DHNBUYLJVIDNOL-GFCCVEGCSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091943
O=C1CC(c2ccc(NC(=O)[C@H]3CCc4nnnn4CC3)cc2)CC(=O)N1	ZINC22_573974788	368.39	DHNBUYLJVIDNOL-LBPRGKRZSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091944
O=c1n2CCCCCc2nn1CC(=O)/N=C(/c1cc2[nH]c(=O)[nH]c2cc1)C	PC-id_76267184	368.39	LAUOPHVBOQQTMF-YBFXNURJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091945
O=C(N1CCCn2nc(cc2C1)C(=O)OC)c1nn2c(nc(cc2C)C)c1	PC-id_50961120	368.39	NYSKWPBWFWSOGB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091946
c12CN(CCCn1nc(C)c2)C(=O)Nc1cc(OC)cc(c1)n1cnnn1	ZINC22_299763846,MCULE-3267391642,PC-id_118760670,EMOLS-id_68868789	368.393	FMETXEUDFVOWLF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091947
C1CN(CCn2c1nn(c2=O)Cc1ccccc1)C(=O)CCn1cnnn1	PC-id_91922518	368.393	QJPBHRFHKIFFKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091948
Cc1cnnn1Cc1nnn2c1CN(C(=O)c1cccc(=O)n1C)CCC2	EMOLS-id_313730521,ZINC22_1565553730	368.393	CNTUMJOTLRGAMK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091949
Cc1cnnn1Cc1nnn2c1CN(C(=O)c1cccn(C)c1=O)CCC2	EMOLS-id_313730265,ZINC22_2055714848	368.393	VEHLWZONYQCDPZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091950
CC(=O)N1CCCn2nc(CNC(=O)c3nnc4nc(C)ccn34)cc2C1	ZINC22_82137247,PC-id_70766009,EMOLS-id_44444863,MCULE-2542090834	368.393	LILFRXZLJMOTRV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091951
COc1cnccc1C(=O)N1CCCn2nnc(Cn3nncc3C)c2C1	ZINC22_1565555866,EMOLS-id_313730777	368.393	RGRQSQZJMARUAF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-091952
n1(c2cccc(OCC(=O)NCc3cc4n(CCCNC4)n3)c2)cnnn1	MCULE-3851468880,PC-id_70717648,ZINC22_82096858,EMOLS-id_44428009	368.393	CGXGDDSXFUVVND-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091953
n1c(CNC(=O)NCc2cc3n(CCCNC3)n2)onc1c1cccnc1	EMOLS-id_177463219,PC-id_121507592,MCULE-4077990525,ZINC22_426580733	368.393	JQXBKSJFIZOYPH-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-091954
n1nn[nH]c1Oc1ccc(cc1)NC(=O)CCc1cc2n(CCCNC2)n1	EMOLS-id_43127459,ZINC22_72431315,MCULE-6733240088,PC-id_70745165	368.393	SSIUJZSEQZXSMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091955
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(n2nnnc2C)ccc1	PC-id_55676404	368.393	IGBBDJCHIIPPRL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091956
CCn1nnnc1c1cccc(c1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_320400990,PC-id_145897864,MCULE-6543564442	368.396	NDSPGVBRTRQMLB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091957
CCn1nnnc1c1cccc(NC(=O)N[C@@H]2CCc3nnnn3CC2)c1	ZINC22_421059420	368.396	NDSPGVBRTRQMLB-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091958
CCn1nnnc1c1cccc(NC(=O)N[C@H]2CCc3nnnn3CC2)c1	ZINC22_421059422	368.396	NDSPGVBRTRQMLB-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091959
c12CN(CCCn1nc(CN(C)C)c2)Cc1cccc(c1)OC(F)(F)F	EMOLS-id_43086725,ZINC22_72137418,PC-id_56889300,MCULE-1498400696	368.397	BTMAPWWBGZJSJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091960
s1c2CCCCCc2nc1NC(=O)c1cc(OC)c(OC(F)F)cc1	PC-id_46699265	368.398	NLTSMRFJWSKUIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091961
s1c2CCCCCc2nc1NC(=O)c1c(OC(F)F)c(OC)ccc1	PC-id_55507139	368.398	KIZVQIHWTAJIDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091962
Fc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)O)C(=O)Nc2cc1	PC-id_72651803	368.401	FPRDRIOAOZUXDE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-091963
Fc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCC(=O)O)/C(=O)Nc2cc1	SCHEMBL6692356,PC-id_60113709	368.401	FPRDRIOAOZUXDE-WJDWOHSUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-091964
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(OC(F)F)cc1	PC-id_7876764	368.402	QBJASDVGZGUREY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091965
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(OC(F)F)cccc1	PC-id_7876766	368.402	PWSQYRDPJDLIIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091966
Cc1cc(n(n1)c1ccc(cc1F)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_100946598	368.405	DTQUMBGZCMYBJK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091967
Cc1oc(c2ccc(F)cc2)nc1CNC(=O)c1cc2c([nH]1)CCCNC2	ZINC22_2325820818	368.405	HEWVJJXHYWEHDP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091968
CCCOc1cn2c(c1C)c(ncn2)OC1=C(F)c2cc([nH]c2C=CC1)C	PC-id_143359429	368.405	HIRCNESXQZTCAN-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-091969
Fc1c(c2oc(C(=O)NCCc3n4CCCCCc4nn3)cc2)cccc1	PC-id_51304505	368.405	AXFAHKMXFOWWDC-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-091970
Fc1ccc(c2oc(C(=O)NCCc3n4CCCCCc4nn3)cc2)cc1	PC-id_51304504	368.405	UQLRNEPDUGZRBR-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-091971
N#Cc1ccc(c(c1)F)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111269283	368.405	ZLZPABMPLYVMRO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091972
N#Cc1c(F)cccc1N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111825658	368.405	SVETZEZUTOWKDQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091973
c1(cn2c(CCNCC2)n1)C(=O)N(C)Cc1c[nH]nc1c1ccc(cc1)F	EMOLS-id_330442788,ZINC22_1857723332,MCULE-5127537487	368.408	AMFVHLNHHXHJRJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091974
c1(C(=O)NC)cn2c(CCN(Cc3cnn(c4ccccc4F)c3)CC2)n1	ZINC22_2100536898,MCULE-8583648953,EMOLS-id_337701057	368.408	DRXGEUSYOFGXNN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-091975
COc1ccc(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)o1	PC-id_70715987,MCULE-6641808856,ZINC22_82096458,EMOLS-id_44427439	368.408	DQRSDYNKROBKRE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-091976
Fc1ccc(cc1)C(c1cnn(c1)C)NC(=O)C1CCn2c(CC1)nnc2	MCULE-8559884204,EMOLS-id_320193098	368.408	ATJLXTUJEZLIRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091977
Fc1ccc(cc1)C(c1nccn1C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319837356,MCULE-4166050146	368.408	NOSNIPYPUYQQPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091978
Cc1c(c2ccccc2[nH]1)C(=O)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625416	368.41	OPZZRALXSCWUFE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-091979
c1(cn2c(CCN(CC2)S(=O)(=O)C)n1)C(=O)N(C)Cc1onc(C)n1	EMOLS-id_331149840,ZINC22_1875247616,MCULE-8074459405	368.411	MLAXUBNGFWBNNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-091980
c12c(=O)n(C)cnc1sc(C(=O)N1CCCn3nc(C#N)cc3C1)c2C	ZINC22_63885011,PC-id_47000228,MCULE-2101881306,EMOLS-id_232813934	368.413	YCYSBEZTTLEAMZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091981
c1(C(=O)Nc2ccccc2)cc2n(CCCN(C(=O)c3csnn3)C2)n1	MCULE-3886039591,PC-id_50976177,ZINC22_65466216,EMOLS-id_32421154	368.413	BYTUDYGEPJWWCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091982
N#Cc1c(NC(=O)Cn2nc3cnccn3c2=O)sc2c1CCCCC2	MCULE-3942476626,ZINC22_181687876,PC-id_136529997,EMOLS-id_313171737	368.413	YRZIBAZNUOCJFF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091983
N#CC(C(=O)c1cnc2n(c1=O)c(C)cs2)c1nnc2n1CCCCC2	EMOLS-id_98864554	368.413	OJMYKTHFYKKPBU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-091984
O=C1Nn2cccc2SC[C@@H]1NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19037359	368.413	GKXLEPFFFFZASE-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091985
O=C(Nc1ccccc1)c1cnn2c1CN(C(=O)c1csnn1)CCC2	EMOLS-id_313765069,ZINC22_1565545749	368.413	NQFAUZQJGHVJDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091986
O=C(Nc1ccccc1)c1ncn2c1CN(C(=O)c1csnn1)CCC2	EMOLS-id_313788218,ZINC22_1565551098	368.413	ABGPNIZFFHQYLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091987
c1(cn2c(CCN(CC3CCOC3)CC2)n1)C(=O)N1CCC(CC1)(F)F	MCULE-7221478746,EMOLS-id_336486580	368.421	ORKSUXDMZQGLQC-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-091988
O=C(c1cn2c(n1)CCN(C[C@@H]1CCOC1)CC2)N1CCC(F)(F)CC1	ZINC22_1940195364	368.421	ORKSUXDMZQGLQC-AWEZNQCLSA-N	00000010100010000101000000000010000000000000000000000000	31-01-091989
O=C(c1cn2c(n1)CCN(C[C@H]1CCOC1)CC2)N1CCC(F)(F)CC1	ZINC22_1940195365	368.421	ORKSUXDMZQGLQC-CQSZACIVSA-N	00000010100010000101000000000010000000000000000000000000	31-01-091990
Fc1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1F	MCULE-9994021452,PC-id_28953439,ZINC22_20449225,EMOLS-id_232718538,CoCoCo_1225554,CoCoCo_1225553	368.423	AJAGSXLXQZQREW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091991
Fc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c(F)c1	PC-id_29084765,ZINC22_20598523,CoCoCo_1253993,EMOLS-id_20487907,MCULE-1928661769,CoCoCo_1253992	368.423	QQMVITQPWLTVGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091992
s1c2c(CCCCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)OCCC	PC-id_27520124	368.425	JKHSIZHIURGRGL-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-091993
s1c2c(CCCCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)OC(C)C	PC-id_27520125	368.425	ANEWGCJPKNWRTJ-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-091994
COc1ccc(cc1F)S(=O)(=O)N[C@@H](c1nnc2n1CCCCC2)C	MCULE-7205401842,PC-id_51124945,EMOLS-id_32081312	368.426	IGDWMMSKJHJHSY-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091995
CS(=O)(=O)N(CCc1cccc(F)c1)Cc1nnc2n1CCOCC2	EMOLS-id_316760500,MCULE-7193994590,ZINC22_1775961524	368.426	GOPICRKKVCXRND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091996
O=C(c1noc2c1CCCCC2)N1CCC(CC1)(C(=O)O)c1ccccc1	PC-id_120512874	368.426	RVZKMJKZOVERII-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-091997
O=C(N1CCCc2c(C1)cco2)Nc1ccc2c(c1)OC1(O2)CCCCC1	EMOLS-id_99348481	368.426	MFACCWPXSJUSMJ-UHFFFAOYSA-N	00000010100010100101000000000010000000000000000000000000	31-01-091998
S(=O)(=O)(NC(c1n2CCCCCc2nn1)C)c1cc(F)c(OC)cc1	PC-id_75617960	368.426	IGDWMMSKJHJHSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-091999
OC(c1ccc(/N=N/c2c3-c(c(OC)c2)ccccc3)cc1)c1ccccc1	PC-id_10523056	368.428	AWQPSCUQGVOGBA-OCEACIFDSA-N	00000010100000110110000000000010000000000000000000000000	31-01-092000
ONC(=O)C1Cc2sccc2CCN1S(=O)(=O)c1ccc(cc1)O	PC-id_141940989	368.428	NBCIHYRZPSLWET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092001
c12CN(CCCn1nc(CNC(=O)c1cccc(O)c1)c2)C(=O)C1CCC1	ZINC22_82107172,PC-id_70731599,EMOLS-id_44432947,MCULE-7043513014	368.43	CGLNWIODPYATPU-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-092002
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cc2c(cccc2)o1	MCULE-7775493896,EMOLS-id_44432007,PC-id_70729092,ZINC22_82106543	368.43	VOEAYOINJGQXFN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092003
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc2c(cco2)c1	ZINC22_82120186,PC-id_70746993,MCULE-9694182110,EMOLS-id_44438385	368.43	QVFOJUGOKPEYDC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092004
c12C(=O)N(CCCn1nc(C(=O)N1CCOCC1)c2)Cc1ccc(cc1)C	MCULE-7278560232,EMOLS-id_32846088,PC-id_50798080	368.43	HMKRBHGDXQSBFS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092005
c12C(=O)NCC(O)Cn1nc(C(=O)N1CCC(CC1)Cc1ccccc1)c2	EMOLS-id_55659268,MCULE-2171778382,PC-id_91836639	368.43	WSDPXQISFWTPPP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092006
c12C(=O)NCC(O)Cn1nc(C(=O)N(CC1CCC1)Cc1ccccc1)c2	EMOLS-id_55693991,PC-id_91841600,MCULE-5550144525	368.43	WCIMMKXEHPMKFY-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-092007
C1CCC(C1)(CNC(=O)c1nn2CC(CNC(=O)c2c1)O)c1ccccc1	PC-id_135103352	368.43	WMEPOIMRIYUZFM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-092008
C1CC(=O)N(C1)CC(=O)N1CCCn2c(cc(n2)C(c2ccccc2)O)C1	PC-id_91795658	368.43	DVTGQALJVSFAEP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092009
c1(cn2c(CCNCC2)n1)C(=O)N1CCC(c2ccccc2)(C(=O)OC)C1	MCULE-1836683965,EMOLS-id_330472783	368.43	NNLINTPNRKJEFJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-092010
c1(C(=O)N2CC(C2)Oc2cccc(C)c2)cc2n(CCCN(C(=O)C)C2)n1	MCULE-1576993698,PC-id_50965927,EMOLS-id_32401828,ZINC22_65407916	368.43	OTCGNQFCXHVIEP-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-092011
c1(C(=O)N2CCCC(C2)c2cccc(c2)C(=O)O)nnc2CCCCCn12	MCULE-6872803615,PC-id_72864877,EMOLS-id_46613166	368.43	ASYZCHGBYDFVIZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092012
c1(C(=O)N2CCCC(c3ccc(cc3)C(=O)O)C2)nnc2CCCCCn12	EMOLS-id_46648720,PC-id_72934632,MCULE-5608310563	368.43	JCHBOZBTOKCFJS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092013
c1(C(=O)N(C2CCCC2)Cc2ccccc2)cc2n(CC(CNC2=O)O)n1	PC-id_91835696,MCULE-7451978145,EMOLS-id_55652650	368.43	AALRZJAZKYDWHJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092014
Cc1ccc2oc(=O)n(CCC(=O)NCc3n[nH]c4c3CCCCC4)c2c1	EMOLS-id_222790237,ZINC22_670471211,MCULE-3121983046	368.43	QACWYTMBJYTVKM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092015
Cc1ccc2oc(=O)n(CC(=O)N(C)Cc3n[nH]c4c3CCCCC4)c2c1	ZINC22_426423853,PC-id_119062057,EMOLS-id_82709183,MCULE-2610941163	368.43	YWHIKFYWZDXEMC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092016
Cc1cc(CN2Cc3cccn3C[C@@H](CC(=O)NCc3ccco3)C2)no1	ZINC22_585099211	368.43	VPWXQAUPJOZIKL-INIZCTEOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-092017
Cc1cc(CN2Cc3cccn3C[C@H](CC(=O)NCc3ccco3)C2)no1	ZINC22_585099212	368.43	VPWXQAUPJOZIKL-MRXNPFEDSA-N	00000000101000000101000000000010000000000000000000000000	31-01-092018
Cc1cc(CN2CC(CC(=O)NCc3ccco3)Cn3cccc3C2)no1	EMOLS-id_313807662	368.43	VPWXQAUPJOZIKL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-092019
[C@H]1(C(=O)NCc2c3CCCCCc3[nH]n2)OCC(=O)N[C@@H]1c1ccccc1	ZINC22_1529168605,PC-id_134707659,MCULE-2908623045,EMOLS-id_316199407	368.43	HKMXOZQJCPEGTI-MOPGFXCFSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092020
Cn1cc(CC(=O)N2CCCn3nc(cc3C2)C(O)CO)c2ccccc12	PC-id_90651577,MCULE-5641720796,EMOLS-id_50541407	368.43	IDDNTZQOACHGCR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-092021
Cn1cc(CC(=O)N2CCCn3nc([C@H](O)CO)cc3C2)c2ccccc12	PC-id_100066074,ZINC22_221218572	368.43	IDDNTZQOACHGCR-LJQANCHMSA-N	00000000100000100101000001100010000000000000000000000000	31-01-092022
Cn1cc(CC(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)c2ccccc12	ZINC22_221218635,PC-id_100066075	368.43	IDDNTZQOACHGCR-IBGZPJMESA-N	00000000100000100101000001100010000000000000000000000000	31-01-092023
CN(CCn1c(=O)[nH]c2c1cc(cc2)C(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_316623325	368.43	RBUTZHUAICGCSF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092024
COc1ccc2c(c1)c(C)c(o2)C(NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319121350	368.43	NBHHHGZWFQUYII-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092025
COc1ccc(cc1)CNC(=O)C=CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_316574059	368.43	SBIBDPYRCGAHKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092026
COc1cccc(c1)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	ZINC22_96259359,EMOLS-id_44370266,PC-id_97519443	368.43	RKXMZHGXFZHQRU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092027
COc1ccc(cc1)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	ZINC22_96259361,PC-id_97519445,EMOLS-id_44370270	368.43	CYOUOJNXAMVXKP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092028
COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cn3c(n2)CCNCC3)C1	ZINC22_1857736582	368.43	NNLINTPNRKJEFJ-FQEVSTJZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-092029
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o1c(c(c2c1ccc(OC)c2)C)C(=O)NCCc1n2CCCCCc2nn1	PC-id_55535979	368.43	YHXAFFZMNDGTIN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092031
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O1C(CCCC1)C(=O)N1CCCn2nc(cc2C1)C(=O)Nc1ccccc1	EMOLS-id_32386372,PC-id_50957740,MCULE-6511369370	368.43	FURXGOZNGLYSEK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092033
OC1CC(C1)C(=O)N1CCCn2cnc(C(=O)NCc3ccccc3)c2C1	EMOLS-id_313790010,ZINC22_1565554405	368.43	ZAYLXUHTKLEJSM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-092034
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Oc1ccc(cc1)C(=O)NCc1nn2c(c1)CN(CCC2)C(=O)C1CCC1	PC-id_102602776	368.43	RKOBXTLDILOXLV-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-092036
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OC1(CC(=O)N2CCCn3ncc(C(=O)Nc4ccccc4)c3C2)CCC1	EMOLS-id_313764813,ZINC22_1565544915	368.43	URFSYQROHBNGSH-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-092041
O(c1c(OC)cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1OC)CC	PC-id_60620207	368.43	OGNPUBOPMNHHQI-GDNBJRDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092042
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c12ncn(CCC(C)(C)C)c1c(=O)nc(N(C)Cc1ccccn1)[nH]c2=O	CoCoCo_1274231,EMOLS-id_232726656,ZINC22_20601039,PC-id_29088275,MCULE-6733028538	368.433	RWOMQKDEGALWID-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-092086
c12nnnn1CCCCC2C(=O)N1CCC(CC1)NC(=O)c1ccccc1	MCULE-5529279268,EMOLS-id_49681742,PC-id_74251115	368.433	NFFDPIPFVCBCNS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092087
c1(c2CCCc2[nH]n1)C(=O)N1CCCn2c(cc(n2)C(=O)N2CCCC2)C1	ZINC22_67473525,EMOLS-id_32373032,MCULE-8922226717,PC-id_50950762	368.433	WBTRPJNZKLWHEA-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-092088
c1(cccc2ccnn12)C(=O)N1CCCn2c(cc(n2)CN(C)CCO)C1	PC-id_56916601,MCULE-2503993521,ZINC22_72480616,EMOLS-id_43178875	368.433	OPDXZFGPUPOXTB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092089
c1(C(C(C)C)NC(=O)Cc2c3ccccc3on2)nnc2CCNCCn12	PC-id_56713652,EMOLS-id_36447463,MCULE-2401187753	368.433	JCTSDJWFEWIJGW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092090
c1(cnn2ccn(C)c12)C(=O)N1CCCn2c(cc(n2)C(O)C2CCC2)C1	PC-id_91796396,EMOLS-id_55707654,MCULE-3122471194	368.433	VNOKDQXTRQEFCO-UHFFFAOYSA-N	00001000100000000101000100000010000000000000000000000000	31-01-092091
c1(C(=O)N2CCCC2)cc2n(CCCN(C2)C(=O)c2c[nH]nc2C2CC2)n1	ZINC22_67946895,MCULE-6843181592,PC-id_50981048,EMOLS-id_32430358	368.433	NLRBUJYDKJWMIN-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-092092
c1(C(=O)NC2CCCC=C2)cn2c(CCN(CC2)C(=O)Cc2cc[nH]n2)n1	EMOLS-id_331133447,MCULE-8314275509	368.433	AJVPZWALNIPWPZ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-092093
c1(C(=O)N)cn2c(CCN(CC2)C(=O)C2CCCN(c3ccccn3)C2)n1	EMOLS-id_331143187,MCULE-7067556371	368.433	AKWHKJXXCHBNAW-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-092094
c1([nH]nc(c2cccn2C)c1)C(=O)N1CCCn2c(cc(n2)C(CC)O)C1	MCULE-7997933626,PC-id_90647312,EMOLS-id_50525695	368.433	MMFZHFLWBGPZEN-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-092095
Cc1ccc(cc1N1CCNC1=O)C(=O)NCc1nnc2CCCCCn12	EMOLS-id_44712909,PC-id_70729880,ZINC22_91535221,MCULE-7325920003	368.433	JWXJTEGORQDBCR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-092096
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nnc2n1CCCCC2	MCULE-5110937384,PC-id_45859667,ZINC22_40012925,EMOLS-id_44001929	368.433	KURGUVZFDJMNIJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092097
Cc1noc2nc(C(C)C)cc(C(=O)NCc3nnc4n3CCCCC4)c12	SYN-22883582,ZINC22_19714755,CoCoCo_504914,PC-id_46976479,MCULE-4313418046,EMOLS-id_30448147	368.433	FBSABNXVHRMPHC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092098
CCc1ccc(cn1)C(=O)N1CCCn2nnc(C(=O)NC3CCC3)c2C1	ZINC22_2055844914,EMOLS-id_313849901	368.433	XZTMQGKZWULUPA-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-092099
CC(C)C1=NOC(C1)C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	MCULE-5656209608,EMOLS-id_68942176,PC-id_118796212	368.433	HIHAPQBPBFYLDL-UHFFFAOYSA-N	00000011100000101101000000000010000000000000000000000000	31-01-092100
CC(C)C1=NO[C@H](C(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)C1	ZINC22_299789885	368.433	HIHAPQBPBFYLDL-INIZCTEOSA-N	00000011100000101101000000000010000000000000000000000000	31-01-092101
CC(C)C1=NO[C@@H](C(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)C1	ZINC22_299789902	368.433	HIHAPQBPBFYLDL-MRXNPFEDSA-N	00000011100000101101000000000010000000000000000000000000	31-01-092102
CC(C)[C@@H](NC(=O)Cc1noc2ccccc12)c1nnc2n1CCNCC2	PC-id_95205238,ZINC22_67724038	368.433	JCTSDJWFEWIJGW-GOSISDBHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092103
CC[C@H](c1cc2n(n1)CCCN(C2)C(=O)c1[nH]nc(c1)c1cccn1C)O	PC-id_100003289	368.433	MMFZHFLWBGPZEN-GOSISDBHSA-N	00000000110000000101100000000010000000000000000000000000	31-01-092105
CC[C@@H](c1cc2n(n1)CCCN(C2)C(=O)c1[nH]nc(c1)c1cccn1C)O	PC-id_100003293	368.433	MMFZHFLWBGPZEN-SFHVURJKSA-N	00000000110000000101100000000010000000000000000000000000	31-01-092106
CCn1nc2n(c1=O)CCC(CC2)C(=O)NCc1nc2c(n1C)cccc2	EMOLS-id_207876866,MCULE-6542556968	368.433	YOFPSWKTXBODPX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092107
CCn1nc2n(c1=O)CCC(CC2)C(=O)NCc1[nH]c2c(n1)cc(cc2)C	MCULE-2564854880,PC-id_146048477,EMOLS-id_207876863	368.433	MBKAWOVIXXOIBT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092108
CC(NC1C/C=C/n2c(C(=N/C=C/1)N)nn(c2=O)Cc1ccccc1)(O)C	PC-id_144188821	368.433	XSCJICGHQFOSSW-XTFSJJGVSA-N	00000000100000110111000000000010000000000000000000000000	31-01-092109
Cn1ccn2ncc(C(=O)N3CCCn4nc([C@H](O)C5CCC5)cc4C3)c12	PC-id_100304716,ZINC22_223756008	368.433	VNOKDQXTRQEFCO-QGZVFWFLSA-N	00001000100000000101000100000010000000000000000000000000	31-01-092110
Cn1ccn2ncc(C(=O)N3CCCn4nc([C@@H](O)C5CCC5)cc4C3)c12	ZINC22_223755960,PC-id_100304704	368.433	VNOKDQXTRQEFCO-KRWDZBQOSA-N	00001000100000000101000100000010000000000000000000000000	31-01-092111
Cn1c(=O)n(CCC(=O)NCc2nnc3n2CCCCC3)c2ccccc12	PC-id_45866983,EMOLS-id_30244738,ZINC22_40043351,MCULE-1619122748	368.433	NKLQWSBZAXVYPW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092112
CN(C1CCc2nn(C)c(=O)n2CC1)C(=O)CCc1nc2ccccc2[nH]1	MCULE-5478201880,EMOLS-id_50586505,PC-id_91922708	368.433	AYVQKCAAUKATBR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092113
CN(Cc1nnc2n1CCCCC2)C(=O)Cn1c(=O)n(C)c2ccccc12	ZINC22_12729589,EMOLS-id_18814947,MCULE-7142682496,PC-id_25466206,CoCoCo_4654941	368.433	GYNFUMCYJFZKBR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092114
CNC(=O)n1c(nc2c1C=C(C=CC2)CN1CCOCC1)/C(=N/NC)/C#C	PC-id_143600828	368.433	OEDRKNINJWQCEH-HZHRSRAPSA-N	00000000100010000111000000000010000000000000000000000000	31-01-092115
COc1ccccc1c1n[nH]cc1CN(C)C1CCc2n[nH]c(=O)n2CC1	EMOLS-id_96055605,MCULE-3161327398	368.433	HKYWFOMRAMQLRZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092116
COc1ccc(CN2CCc3nn(C)c(=O)n3CC2)cc1Cn1cccn1	PC-id_91910717,MCULE-2656418329,EMOLS-id_50590165	368.433	HBSUNARBAINSNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092117
n12CCN(Cc1cc(CN1CCc3c(c(=O)[nH][nH]3)CC1)n2)Cc1ccoc1	MCULE-9308821005,PC-id_56888903,ZINC22_72409811,EMOLS-id_43085093	368.433	VRZKWSZSLOTSSN-UHFFFAOYSA-N	00000000101010000101000000010010000000000000000000000000	31-01-092118
n12CCN(CCc1nnc2Cc1cccnc1)C(=O)CN1CCCCC1=O	EMOLS-id_49672046,PC-id_74246357,MCULE-8494931059,ZINC22_97730216	368.433	JIBRVDPGQMWTRU-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-092119
n1(CCC(=O)NCc2cc3n(CCCNC3)n2)c2ccccc2nc1CO	PC-id_74235587,ZINC22_97474979,MCULE-8598159216,EMOLS-id_49650130	368.433	JDOSZDJBMPECLP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092120
NC(=O)c1cn2c(n1)CCN(C(=O)[C@H]1CCCN(c3ccccn3)C1)CC2	ZINC22_1875246769	368.433	AKWHKJXXCHBNAW-AWEZNQCLSA-N	00000000100010101101100000000010000000000000000000000000	31-01-092121
NC(=O)c1cn2c(n1)CCN(C(=O)[C@@H]1CCCN(c3ccccn3)C1)CC2	ZINC22_1875246771	368.433	AKWHKJXXCHBNAW-CQSZACIVSA-N	00000000100010101101100000000010000000000000000000000000	31-01-092122
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1ccc(cc1)C#N)C	PC-id_78518119	368.449	BCQBZOLLYLUHDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092183
O=C1CCCN1Cc1ncn2c1CN(C(=O)CCc1cncnc1)CCC2	EMOLS-id_313735888,ZINC22_1565543446	368.433	GQGLAPGLBRERTK-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-092123
O=C1N(CC(C1)C(=O)NCc1n2CCCCCc2nn1)Cc1cccnc1	PC-id_72842099	368.433	YPXQEVFGPRAZKX-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-092124
O=C(C1CCCN(C1)C(=O)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102160330	368.433	OPRIAGZQHBSKHM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092125
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1NC(=O)N1CCCC1	EMOLS-id_316670282	368.433	ZSHVMSVZUFFSNZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092126
O=C(C1CC(=O)N(C1)c1cccc(c1C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102166423	368.433	ICPQXRPWKHWRGC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-092127
OCc1nc2c(n1C)ccc(c2)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_319496356	368.433	BWLHDGZGVCJIRK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092128
O=C(CCc1cncnc1)N1CCCn2ncc(C(=O)N3CCCC3)c2C1	ZINC22_1565545876,EMOLS-id_313770444	368.433	RIWNXAIGYWTRFA-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-092129
O=C(N1CCC(CC1)C(=O)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183228	368.433	GENSXRUTIKBCCJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092130
O=C(N1CCn2c(nnc2CCc2ccccc2)CC1)C1CNCNC1=O	PC-id_76404025	368.433	AZIBQOQBUXNCTK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092131
O=C(N1CCn2c(nnc2CCc2ccccc2)CC1)C1NCC(=O)NC1	PC-id_76405092	368.433	XAUUWYCFYJEGHZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092132
O=C(N1CCn2c(nnc2CCc2ccccc2)CC1)C1NNC(=O)CC1	PC-id_76405299	368.433	BYCDVHOBXMJWLU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092133
O=C(N1CCn2c(nnc2CNC(=O)c2ccncc2)CC1)C1CCCC1	PC-id_56858753	368.433	KXWQOFXSLBPZAL-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-092134
O=C(NC1CCN(C(=O)[C@@H]2CCCCn3nnnc23)CC1)c1ccccc1	ZINC22_97819575,PC-id_97941481	368.433	NFFDPIPFVCBCNS-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092135
O=C(NC1CCN(C(=O)[C@H]2CCCCn3nnnc23)CC1)c1ccccc1	ZINC22_97819576,PC-id_97941482	368.433	NFFDPIPFVCBCNS-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092136
O=C(NCc1n2CCCCCc2nn1)CCC1C(=C(C(=O)N=C1C)C#N)C	PC-id_75134965	368.433	FHCSXERISCYXSN-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-092137
O=C(N[C@H]1C=CCCC1)c1cn2c(n1)CCN(C(=O)Cc1cc[nH]n1)CC2	ZINC22_1875240531	368.433	AJVPZWALNIPWPZ-AWEZNQCLSA-N	00000000100011000101000000000010000000000000000000000000	31-01-092138
O=C(N[C@@H]1C=CCCC1)c1cn2c(n1)CCN(C(=O)Cc1cc[nH]n1)CC2	ZINC22_1875240532	368.433	AJVPZWALNIPWPZ-CQSZACIVSA-N	00000000100011000101000000000010000000000000000000000000	31-01-092139
Cc1nnc(s1)SCCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135094829	368.435	CPQBBCDNNLYQIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092140
c12ncnn1c(c(CCC(=O)NCc1cc3n(CCCNC3)n1)c(C)n2)C	MCULE-9160770492,PC-id_70734068,ZINC22_82107957,EMOLS-id_44433825	368.436	NCUADPNITKPYRV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092141
c1(C(C(C)C)NC(=O)Cn2nc3c(cccc3)n2)nnc2CCNCCn12	EMOLS-id_36457073,MCULE-3274432665,PC-id_56718332	368.436	VFQMKCUXUUTBFN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092142
CC(C)[C@@H](NC(=O)Cn1nc2ccccc2n1)c1nnc2n1CCNCC2	PC-id_95220614,ZINC22_67878606	368.436	VFQMKCUXUUTBFN-QGZVFWFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092143
CC(C)[C@H](NC(=O)Cn1nc2ccccc2n1)c1nnc2n1CCNCC2	ZINC22_67878604,PC-id_95220613	368.436	VFQMKCUXUUTBFN-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092144
CC(C(=O)N1Cc2c(CC(C1)(C)C)n(nc2)C)n1cnc2c1ncnc2N	MCULE-2255599687,EMOLS-id_316877293,PC-id_136552875	368.436	XXPQVICWOYYDMK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092145
C[C@H](C(=O)N1Cc2cnn(C)c2CC(C)(C)C1)n1cnc2c(N)ncnc12	ZINC22_663211746	368.436	XXPQVICWOYYDMK-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092146
C[C@@H](C(=O)N1Cc2cnn(C)c2CC(C)(C)C1)n1cnc2c(N)ncnc12	ZINC22_663211749	368.436	XXPQVICWOYYDMK-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-092147
CCN(C)Cc1cc2CN(CCCn2n1)C(=O)c1cnc2n(C)nnc2c1	MCULE-4957006826,PC-id_56887768,EMOLS-id_43080367,ZINC22_72408561	368.436	UXKCKHLADDXOMD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092148
O=C(Nc1cnc2c(c1)c(C)nn2C)NCCc1nnc2n1CCCCC2	PC-id_86993981	368.436	DARHZFMDFMPAQJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092149
O=C(NCc1n2CCCCCc2nn1)CCc1c(n2ncnc2nc1C)C	PC-id_51266329	368.436	SBHXBCDABYCYNU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092150
c1ccc(cc1)OCC1(COc2ccccc2)COc2c(OC1)csc2	PC-id_71427254,SCHEMBL20970587	368.446	PGLLWKMEUQEZQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092151
COC(=O)c1cc(c2-c1ccccc2)CCS(=O)(=O)c1ccc(cc1)C	PC-id_139607767	368.446	RIQDNIXAGCCZMK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-092152
Fc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-2993859333,PC-id_8500321,CoCoCo_3538109,EMOLS-id_13554833	368.446	VUPYSNPXUMTWIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092153
Fc1cccc(c1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_17505230,CoCoCo_3538110,MCULE-6325895195,EMOLS-id_16692771	368.446	YWKRLAACCNMNGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092154
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1ccccc1F	CoCoCo_3538116,PC-id_8500335,EMOLS-id_16659411,MCULE-4853677968	368.446	GISVKGSTHNHXKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092155
O=C(N1CCCc2c(C1)ccs2)Nc1cccc(c1S(=O)(=O)C)F	EMOLS-id_318220881	368.446	OGEAFDJSWPOOAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092156
s1c(c2OCCCOc2c1C(O)c1ccccc1)C(O)c1ccccc1	PC-id_12148667	368.446	ZJDTXWBQAOHMRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092157
S(=O)(=O)(OCCc1c2-c(c(c1)C(=O)C)ccccc2)c1ccc(cc1)C	PC-id_85770321	368.446	IXVHGZCGJLURAY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-092158
CCOC(=O)c1c(NC(=O)CN(C)C(=O)OC)sc2c1CCCCC2	ZINC22_70037487,EMOLS-id_36637673,PC-id_53536819,MCULE-9393110548	368.448	MCTNCSXLPUVWMO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092159
CCOC(=O)c1c(NC(=O)N(CCC(=O)O)C)sc2c1CCCCC2	PC-id_122087727,MCULE-2181188742,EMOLS-id_72871317	368.448	WKKKBZCCGLVXBX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092160
COC(=O)c1c(NC(=O)N(CC(C(=O)O)C)C)sc2c1CCCCC2	PC-id_122087754,EMOLS-id_72871371,MCULE-3077722625	368.448	BTHPRKNAICVXSR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092161
Fc1ccc(cc1)C1=CCC(CC1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101703221	368.448	XQUHZGOJHSXWCT-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-092162
Fc1ccc(cc1)C1=CCN(CC1)C(=O)CCc1cc2CNCCCn2n1	EMOLS-id_43148882,MCULE-6519683901,ZINC22_72458503,PC-id_70761633	368.448	BKIMFQKTAXHZMX-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-092163
Fc1ccc(cc1)N1CCN(CC1)CCN1CC=Cc2c(C1=O)ccn2C	SCHEMBL6768778,PC-id_22737938	368.448	QZJKNFTXYRCDGU-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-092164
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)NCCOC	PC-id_24341563	368.448	GWHHDTHICUGBFB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092165
c1(NC(=O)c2c(C)c3c(cccc3)o2)sc2c(CCCCC2)c1C(=O)N	CoCoCo_543563,MCULE-2026912182,TIMTEC546678,ZINC22_1056350,EMOLS-id_2043654,PC-id_1247489	368.449	XHPJLADANUJABU-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-092166
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c1(NC(=O)Cc2c3ccccc3[nH]c2)sc2c(CCCCC2)c1C(=O)O	MCULE-1695430242,EMOLS-id_179129636,PC-id_28860407	368.449	SVXFHYJQDHARJM-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-092168
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C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)c1nnc(c2ccccc2)o1	ZINC22_5313782,PC-id_7626761	368.449	YAXPBABOYHUOIL-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092171
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s1c2CCCCCc2cc1C(=O)OCc1oc(nn1)c1cc(ccc1)C	PC-id_9402835	368.449	GILGNJJHYVCCSW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092178
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)CC#N	PC-id_7626742	368.449	SCLLXHONJLYJDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092179
s1c2CCCCCc2cc1C(=O)OCC(=O)N(c1ccccc1)CC#N	PC-id_7649791	368.449	SEVYRMRQLFHQFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092180
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1cc(ccc1)C#N)C	PC-id_16509423	368.449	LWCKSNFCLFWLDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092181
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(cccc1)C#N)C	PC-id_42979532	368.449	HNIPHMQWQFMDIP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092182
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1cc(ccc1)C#N)C	PC-id_7649948	368.449	LWCKSNFCLFWLDM-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092184
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1cc(ccc1)C#N)C	PC-id_7649950	368.449	LWCKSNFCLFWLDM-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092185
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(cccc1)C#N)C	PC-id_7649977	368.449	HNIPHMQWQFMDIP-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092186
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(cccc1)C#N)C	PC-id_7649979	368.449	HNIPHMQWQFMDIP-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092187
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(cc1)C#N)C	PC-id_7649986	368.449	BCQBZOLLYLUHDG-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092188
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(cc1)C#N)C	PC-id_7649988	368.449	BCQBZOLLYLUHDG-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092189
s1c2c(CCCCC2)c(c1NC(=O)c1cc(ccc1)CC#N)C(=O)OC	PC-id_78883127	368.449	MLVWUQLXIFQWCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092190
s1c2CCCCCc2c(c1NC(=O)COc1ccc(cc1)C(=O)C)C#N	PC-id_26218017	368.449	FZRUHIXKPPZREK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092191
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(cccc1)C)C#N	PC-id_41700304	368.449	BDZDEEAARKLMDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092192
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(ccc1)C)C#N	PC-id_41932339	368.449	KEJZQOXLLFUHSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092193
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(cc1)C)C#N	PC-id_45680798	368.449	LEWBZNLDFONGLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092194
s1c2CCCCCc2nc1NC(=O)c1oc(cc1)COc1ccccc1	PC-id_43041017	368.449	YXYOFVMSABYGLI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-092195
s1c2CCCCCCc2cc1C(=O)Nc1cc2c(C(=O)N(C2=O)C)cc1	PC-id_60384170	368.449	SVHVXMLNUJMYAU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-092196
s1c2CCCCCCc2cc1C(=O)OCc1oc(nn1)c1ccccc1	PC-id_7618254	368.449	TYXJVMUUJBOZBP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092197
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Cn1cc([C@@H](NCCc2nnc3n2CCCCC3)c2cccc(F)c2)cn1	ZINC22_154002903	368.451	MGCSFFMEVCLPOJ-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092200
CN(Cc1ccc(CN2CCCn3nc(CO)cc3C2)o1)S(=O)(=O)C	PC-id_91786246,EMOLS-id_55677811,MCULE-2874025536	368.451	KPBRPLUGLRVFAW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-092201
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c1(C(O)c2ccccc2)cc2n(CCCN(C(=O)Cc3cncs3)C2)n1	PC-id_91764772,MCULE-5376503365,EMOLS-id_55616115	368.453	GFQVQGYRKKJEMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092206
c1(C(=O)NCc2ccc3c(ccs3)c2)cc2n(CCCN(C(=O)C)C2)n1	EMOLS-id_32380134,PC-id_50954458,MCULE-5113008254,ZINC22_65382466	368.453	NFJWOEJMNDAYJD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092207
c1(NC(=O)CCc2nnc(c3ccccc3)o2)sc2c(CCCCC2)n1	MCULE-7777892680,EMOLS-id_323355589	368.453	BLJRVGFZCWFDST-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092208
c1(NC(=O)CCc2onc(c3ccccc3)n2)sc2c(CCCCC2)n1	MCULE-2043944222,EMOLS-id_323268002	368.453	IWFWQLBYYHFANI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092209
c1(NC(=O)CCC(=O)Nc2ccc(cc2)C#N)sc2c(CCCCC2)n1	EMOLS-id_334963244,MCULE-5697851600	368.453	GFAYFBIPQMVRFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092210
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c1(sc2c(CCCCC2)n1)NC(=O)c1[nH]nc(c2ccccc2OC)c1	MCULE-4137531956,EMOLS-id_323285435	368.453	DTIGMJFSLCFSSS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092213
c1(sc2c(CCCCC2)n1)NC(=O)c1[nH]nc(c2ccc(cc2)OC)c1	MCULE-8211140661,EMOLS-id_323283913	368.453	PHDYXHSFVQRXQN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092214
c1(sc2c(CCCCC2)n1)NC(=O)c1[nH]nc(c2cccc(OC)c2)c1	MCULE-1579105126,EMOLS-id_323247571	368.453	GHQMYLULNBCYLA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092215
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Cc1csc(n1)NC(=O)c1nc2c(o1)CCN(CC2)Cc1ccccc1	PC-id_134805574	368.453	KBXBMVHAGGYLDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092218
Cc1nnc(o1)c1ccccc1C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100351035	368.453	OJPYYGDKVIOFFL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092219
Cc1nnc(o1)c1ccc(cc1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99710708	368.453	HWZYWWKHLIDTRB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092220
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COc1cn(c2ccccc2)nc1C(=O)Nc1nc2c(s1)CCCCC2	ZINC22_12828945,EMOLS-id_30674020,PC-id_47018017,MCULE-6399014748	368.453	GCAQRXPJYVNDTM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092223
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c12nnnn1CCCCC2C(=O)N(Cc1cccnc1)Cc1ccsc1	MCULE-1463021779,PC-id_74247395,EMOLS-id_49674158	368.456	UXIPYFJMOXDMLO-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092251
c1(C(C)NC(=O)c2scc(c3ccccc3)n2)nnc2CCNCCn12	EMOLS-id_36450935,MCULE-8976042313,PC-id_56715339	368.456	GLKMFMRBTGLNTA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092252
c1(C(=O)NCCc2csc(c3cccnc3)n2)cn2c(CCNCC2)n1	EMOLS-id_330446683,MCULE-7733509829,ZINC22_1857738989	368.456	HUUQCCHUFURKOE-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-092253
c1(C(=O)NCCc2csc(c3cccnc3)n2)nnc2CCCCCn12	ZINC22_222816592,EMOLS-id_55680039,MCULE-6154113444,PC-id_91787009	368.456	XQAWHBDYUGYONS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-092254
c1(sc2c(CCCCC2)n1)NC(=O)[C@H](Cc1ccccc1)n1cnnn1	MCULE-8809759895,EMOLS-id_323281460	368.456	ATKPJDWBJUENOX-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092255
Cc1ccc(cc1)Cc1nnc(s1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319321523	368.456	DYJTXWLZLXLKNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092256
Cc1cccc(c2nc(CNC(=O)[C@H]3CCCCn4nnnc34)cs2)c1	ZINC22_299765236	368.456	DEHNERCSXORKML-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092257
Cc1cccc(c2nc(CNC(=O)[C@@H]3CCCCn4nnnc34)cs2)c1	ZINC22_299765238	368.456	DEHNERCSXORKML-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092258
Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)s1	ZINC22_247823153	368.456	HOUKRSQXPFSKKK-AWEZNQCLSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092259
Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](CNc3ncccn3)C2)s1	ZINC22_247823155	368.456	HOUKRSQXPFSKKK-CQSZACIVSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092260
Cc1ccc(s1)C(=O)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50374969	368.456	HOUKRSQXPFSKKK-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092261
Cc1ccsc1C(=O)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_253598612	368.456	PSCFFHKGJOVGGY-AWEZNQCLSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092262
Cc1ccsc1C(=O)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_253598615	368.456	PSCFFHKGJOVGGY-CQSZACIVSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092263
Cc1ccsc1C(=O)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50371945	368.456	PSCFFHKGJOVGGY-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092264
Cc1cnnn1Cc1ncn2c1CN(C(=O)/C=C/c1cccs1)CCC2	ZINC22_1565550187,EMOLS-id_313731292	368.456	TUCBBKFOSPGARL-AATRIKPKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092265
Cc1nc(c2ccccn2)sc1C(=O)NCc1nnc2n1CCCCC2	ZINC22_40012930,EMOLS-id_30238403,PC-id_45859672,MCULE-2465118875	368.456	ZFMANEJXYXIAJB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-092266
Cc1nc(CC(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)cs1	MCULE-6848392198,EMOLS-id_44424475,ZINC22_82087254,PC-id_70707661	368.456	QPZJLOHJCSYOEY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092267
Cc1nc(C(=O)N2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)cs1	ZINC22_248029839	368.456	LQINQTXUTOTQDF-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092268
Cc1nc(C(=O)N2Cc3ccnn3C[C@H](CNc3ccccn3)C2)cs1	ZINC22_248029843	368.456	LQINQTXUTOTQDF-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092269
Cc1nc(cs1)C(=O)N1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_50376231	368.456	LQINQTXUTOTQDF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092270
C[C@H](NC(=O)c1nc(c2ccccc2)cs1)c1nnc2n1CCNCC2	PC-id_95210367,ZINC22_67774700	368.456	GLKMFMRBTGLNTA-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092271
C[C@@H](NC(=O)c1nc(c2ccccc2)cs1)c1nnc2n1CCNCC2	PC-id_95210368,ZINC22_67774701	368.456	GLKMFMRBTGLNTA-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092272
n12CCN(CCc1nnc2CNC(=O)c1ccccn1)Cc1cccs1	ZINC22_12078995,ChEMBL-DNDi_CHEMBL66492322,PC-id_42397779,MCULE-3477676675,EMOLS-id_20655431	368.456	OMAKOBAARAEIFD-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092273
n12CCN(CCc1nnc2CNC(=O)c1ccccn1)Cc1ccsc1	CoCoCo_1247175,MCULE-7930450420,EMOLS-id_20483079,PC-id_42321021,CoCoCo_1247174,ZINC22_11968237	368.456	QSNUGTICQMDXNU-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092274
n12CCN(CCc1nnc2CNC(=O)c1ccncc1)Cc1ccsc1	PC-id_42356541,ChEMBL-DNDi_CHEMBL34025178,ZINC22_12021736,MCULE-9090024771,EMOLS-id_232733588	368.456	XVENUZUTERXTLD-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092275
O=C(c1ccc(cc1)NCc1ccsc1)NC1CCn2c(CC1)nnn2	EMOLS-id_278936279	368.456	QUYMNMLYLQVTBB-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-092276
O=C(c1cccs1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_247796421	368.456	CUCYYOJUOSOBTK-AWEZNQCLSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092277
O=C(c1cccs1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_247796425	368.456	CUCYYOJUOSOBTK-CQSZACIVSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092278
O=C(C1CCn2c(CC1)nnc2)NCCc1scc(n1)c1ccccn1	EMOLS-id_316718229	368.456	NPOQLVMNQFSNNR-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-092279
O=C(c1ccsc1)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_247891371	368.456	YTSZLKFISSPKEB-AWEZNQCLSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092280
O=C(c1ccsc1)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_247891376	368.456	YTSZLKFISSPKEB-CQSZACIVSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092281
O=C(Cc1cccs1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_247870043	368.456	QGMSPTQVEPRWPU-AWEZNQCLSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092282
O=C(Cc1cccs1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_247870048	368.456	QGMSPTQVEPRWPU-CQSZACIVSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092283
O=C(Cc1cccs1)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50376883	368.456	QGMSPTQVEPRWPU-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092284
O=C(Cc1ccsc1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_247854483	368.456	KAMBAYQIBWRBBI-HNNXBMFYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092285
O=C(Cc1ccsc1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_247854488	368.456	KAMBAYQIBWRBBI-OAHLLOKOSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092286
O=C(Cc1ccsc1)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50372043	368.456	KAMBAYQIBWRBBI-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092287
O=C(Cc1csc(n1)c1cccnc1)NCc1nnc2n1CCCCC2	PC-id_86912073	368.456	WRLOTHPJVOOGJN-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-092288
O=C([C@@H]1CCCCn2nnnc12)N(Cc1ccccc1)Cc1nccs1	ZINC22_97213015,PC-id_97853000	368.456	ZINRKUDNGIQKOZ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092289
O=C([C@H]1CCCCn2nnnc12)N(Cc1ccccc1)Cc1nccs1	ZINC22_97213016,PC-id_97853001	368.456	ZINRKUDNGIQKOZ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092290
O=C([C@H]1CCCCn2nnnc12)N(Cc1cccnc1)Cc1ccsc1	PC-id_97938152,ZINC22_97744650	368.456	UXIPYFJMOXDMLO-INIZCTEOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092291
O=C([C@@H]1CCCCn2nnnc12)N(Cc1cccnc1)Cc1ccsc1	ZINC22_97744648,PC-id_97938151	368.456	UXIPYFJMOXDMLO-MRXNPFEDSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092292
O=C(N1CC(CCNc2ncccn2)Cn2nccc2C1)c1cccs1	EMOLS-id_50371811	368.456	CUCYYOJUOSOBTK-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092293
O=C(N1CC(CCNc2ncccn2)Cn2nccc2C1)c1ccsc1	EMOLS-id_50372203	368.456	YTSZLKFISSPKEB-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092294
O=C(NCc1csc(Cc2ccccc2)n1)[C@H]1CCCCn2nnnc12	ZINC22_299772952	368.456	BFAPVUKSJDAEKQ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092295
O=C(NCc1csc(Cc2ccccc2)n1)[C@@H]1CCCCn2nnnc12	ZINC22_299772957	368.456	BFAPVUKSJDAEKQ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092296
O=C(NCCc1nc(c2ccccc2)cs1)[C@H]1CCCCn2nnnc12	ZINC22_299795757	368.456	NNCABKWXQAGODL-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092297
O=C(NCCc1nc(c2ccccc2)cs1)[C@@H]1CCCCn2nnnc12	ZINC22_299795772	368.456	NNCABKWXQAGODL-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092298
Nc1nc(CSc2nnc3n2CCCCC3)nc(Nc2ccccc2)n1	ZINC22_7371289,CoCoCo_3968344,PC-id_8465606,EMOLS-id_3560959,MCULE-4059697627,GD-id_ZINC07371289	368.459	QTOKBYXIJCLVCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092299
CCOC(=O)C(=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C)C(=O)OCC	PC-id_101145122	368.466	RLAAXJCDNPCNQT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092300
o1c2CC(CCC#CC(=O)C(c1cc2C(=O)OC(C)(C)C)C(=C)C)C(=C)C	PC-id_85242220	368.466	OSKKSTHRDLXNJD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-092301
o1c2CC(CCC#CC(=O)CC(=Cc1cc2C(=O)OC(C)(C)C)C)C(=C)C	PC-id_74369193	368.466	JOWHFCXVMLXLHM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-092302
o1c2CC(CCC#CC(=O)C(=C(C)C)c1cc2C(=O)OC(C)(C)C)C(=C)C	PC-id_85250545	368.466	HDERQRQTCKPVDM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-092303
o1c2C[C@H](CCC#CC(=O)C/C(=C/c1cc2C(=O)OC(C)(C)C)/C)C(=C)C	PC-id_11057687	368.466	JOWHFCXVMLXLHM-MOKGIYGOSA-N	00000000100000000110000000000010000000000000000000000000	31-01-092304
o1c2C[C@@H](CCC#CC(=O)C(=C(C)C)c1cc2C(=O)OC(C)(C)C)C(=C)C	PC-id_10737754	368.466	HDERQRQTCKPVDM-MRXNPFEDSA-N	00000000100000000110000000000010000000000000000000000000	31-01-092305
o1c2C[C@@H](CCC#CC(=O)[C@H](c1cc2C(=O)OC(C)(C)C)C(=C)C)C(=C)C	PC-id_10714067	368.466	OSKKSTHRDLXNJD-IIBYNOLFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-092306
o1c2C[C@@H](CCC#CC(=O)[C@@H](c1cc2C(=O)OC(C)(C)C)C(=C)C)C(=C)C	PC-id_10785261	368.466	OSKKSTHRDLXNJD-IERDGZPVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-092307
Fc1cc(OCCCc2c[nH]c3c2C=CCCC3)ccc1c1nccs1	PC-id_143138149	368.468	UFTJGZAWDFOOMH-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-092308
Cc1ccc(c(c1)OC1CCN(CC1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_100097673	368.469	NHMYYRQOCQIWHB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092309
O=C(c1noc2c1CCCCC2)N1CCC(CC1)OCCc1ccccc1	EMOLS-id_100097856	368.469	DTCPKYHSOUJWHF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092310
O=C(c1noc2c1CCCCC2)NCC1(CCOCC1)c1ccccc1C	EMOLS-id_100097262	368.469	OIOSKYIZDVHTOR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092311
O=C(c1noc2c1CCCCC2)N(CC1(O)CCCC1)Cc1ccccc1	EMOLS-id_101036473	368.469	XNKBFPPQMYTAJO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092312
O=C(CN1CCCc2c(C1)cco2)NCC1(CCOCC1)c1ccccc1	EMOLS-id_99343114	368.469	YTWSCIIGXADHOD-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-092313
COCCOC(c1nnc2n1CCN(C(C2)(C)C)C(=O)OC(C)(C)C)C	MCULE-9150937746,EMOLS-id_313165892	368.471	KQIGKLGLVSLDGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092314
COCCO[C@H](C)c1nnc2n1CCN(C(=O)OC(C)(C)C)C(C)(C)C2	ZINC22_865215185	368.471	KQIGKLGLVSLDGO-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092315
s1c2c(CCCCC2)c(c1NC(=O)CN1CSCC1=O)C(=O)OC	PC-id_55697859	368.471	BDCMZSMVGFLBBY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-092316
c12CN(CCC)CCCn1nc(CNC(=O)C(=O)CCc1ccccc1)c2	PC-id_70743809,ZINC22_82115477,EMOLS-id_44437271,MCULE-8198055300	368.473	PFIWVSLOJFKSPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092317
c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)Cc1cccc(O)c1	EMOLS-id_46036143,ZINC22_91381702,MCULE-3093583789,PC-id_72852869	368.473	YEJPLAWIMPVCFU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092318
c12CN(CCCn1nc(CCC(=O)N1CCOCC1)c2)Cc1ccccc1	EMOLS-id_46034191,MCULE-2567935139,PC-id_72850190,ZINC22_91327189	368.473	VZERKGPIAUWTFV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092319
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)Cc1ccccc1OC	MCULE-5532547085,ZINC22_92066607,PC-id_72938046,EMOLS-id_46097995	368.473	LSWIBEIOECIBNJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-092320
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)Cc1cccc(OC)c1	EMOLS-id_46051225,ZINC22_91575250,PC-id_72873986,MCULE-2172939141	368.473	NFRNMLDTPXZTAW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-092321
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1ccc(cc1)N1CCCCC1	PC-id_90650771,MCULE-5975953149,EMOLS-id_50538471	368.473	DPUDHWUKGCKNHS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092322
c12CN(CCCn1nc(CNC(=O)CCCCc1ccccc1)c2)C(=O)C	EMOLS-id_44424657,PC-id_70708248,ZINC22_82087436,MCULE-4868444070	368.473	HOBOEYXRSFKYHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092323
c12CN(CCOc3ccccc3)CCCn1nc(CCC(=O)NC1CC1)c2	ZINC22_82138963,MCULE-2814694604,PC-id_70771196,EMOLS-id_44446689	368.473	BNYBJMBVLVPYMA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-092324
c12cncn1CCCN(Cc1ccc(cc1)OCC(=O)N1CCCCC1)C2	EMOLS-id_43166116,MCULE-2020007566,PC-id_56912228,ZINC22_72166619	368.473	RSIIRWCYTHAFBN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092325
c12C(=O)N(CCCn1nc(C(=O)NCCC(C)C)c2)Cc1ccc(cc1)C	MCULE-7362119817,EMOLS-id_32846120,PC-id_16028362	368.473	BLUIACUFPPERAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092326
c12C(=O)N(CCCn1nc(C(=O)NCCC(C)C)c2)Cc1cccc(C)c1	EMOLS-id_32633138,PC-id_53034568,MCULE-7777922140	368.473	SHENYDOIUUCUHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092327
c1cc2n(n1)C[C@H](CCN1CCCC1)CN(Cc1ccc3c(c1)OCO3)C2	ZINC22_248330686	368.473	FYWMEMJSYQTNGZ-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092328
c1cc2n(n1)C[C@@H](CCN1CCCC1)CN(Cc1ccc3c(c1)OCO3)C2	ZINC22_248330687	368.473	FYWMEMJSYQTNGZ-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092329
c1(cn2c(CCNCC2)n1)C(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1	ZINC22_1857736812,MCULE-2591315270,EMOLS-id_330448707	368.473	XPIMYMIBDXLGAZ-MOPGFXCFSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092330
c1(CN(C)C(=O)c2ccc(cc2)N2CCOCC2)c2CCCCCc2[nH]n1	EMOLS-id_55655008,MCULE-8961332783,ZINC22_244840234,PC-id_91836016	368.473	UJHVCEJSFMWOTB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092331
c1(C(=O)N2CCC(CC2)C(O)Cc2ccccc2)nnc2CCCCCn12	PC-id_86286916,MCULE-1239646209,EMOLS-id_50547119	368.473	OBPYDORNXXYJPZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092332
c1(C(=O)N2CCCC(COc3ccccc3C)C2)nnc2CCCCCn12	PC-id_86284926,MCULE-2762607433,EMOLS-id_50532775	368.473	SKAGKBZVNJSKBP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092333
c1(C(=O)N(C)CC2Cc3c(cccc3)O2)cc2n(CCCN(C(C)C)C2)n1	EMOLS-id_32390640,PC-id_50959976,MCULE-1783555942	368.473	AWJPPXWVXNDBSV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092334
c1(C(=O)N(C)CC)cn2c(CCN(C(=O)CCCc3ccccc3)CC2)n1	EMOLS-id_331141386,ZINC22_1875241071,MCULE-3780741865	368.473	OAIQOUAQQHCKEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092335
CC1(C)Cc2n[nH]cc2CN(C(=O)Nc2ccc(OC3CCCC3)cc2)C1	EMOLS-id_177303911,MCULE-5728920279,ZINC22_585098438	368.473	SSIRVUGXFXVNQZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092336
CC1(C)Cc2n[nH]cc2CN(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)C1	ZINC22_663186849	368.473	CTPUBIFHRYCCJW-APWZRJJASA-N	00000010100000110101000000000010000000000000000000000000	31-01-092337
CC1(C)Cc2n[nH]cc2CN(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)C1	ZINC22_663186850	368.473	CTPUBIFHRYCCJW-LPHOPBHVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092338
CC1(C)Cc2n[nH]cc2CN(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)C1	ZINC22_663186851	368.473	CTPUBIFHRYCCJW-QFBILLFUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092339
CC1(C)Cc2n[nH]cc2CN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)C1	ZINC22_663186852	368.473	CTPUBIFHRYCCJW-VQIMIIECSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092340
Cc1ccccc1C1(C(=O)NCc2nnc3n2CCCCC3)CCOCC1	PC-id_145887303,EMOLS-id_320297974,ZINC22_57383975,MCULE-2063431202	368.473	JLRLDVQATQBRJY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092341
Cc1ccc(cc1)C1OCCCC1CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319323160	368.473	WHBPPDXECXNDMQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092342
Cc1c(ccc(c1)C(=O)NCc1n[nH]c2c1CCCCC2)N1CCOCC1	PC-id_135098031	368.473	HLKOCIUYKFZEIM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092343
Cc1ccccc1OC[C@@H]1CCCN(C1)C(=O)c1nnc2n1CCCCC2	PC-id_99973861	368.473	SKAGKBZVNJSKBP-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092344
Cc1ccccc1OC[C@H]1CCCN(C1)C(=O)c1nnc2n1CCCCC2	PC-id_99973862	368.473	SKAGKBZVNJSKBP-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092345
CC1CC(C(O1)C)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_316647758	368.473	KGBNKKQYPWZMAB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092346
CC1CCN(CC1)c1ccc(cn1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100944537	368.473	YXWJMGXQXQQPGM-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-092347
CCc1cccc(NC(=O)CCC(=O)NCc2n[nH]c3c2CCCCC3)c1	ZINC22_670447610,MCULE-6492412426,EMOLS-id_222764004	368.473	SOPSIYUUMSUWRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092348
CCCc1ccc(cc1)C(=O)N1CCCn2nnc(COCC3CC3)c2C1	PC-id_97519062,EMOLS-id_44369494,ZINC22_96258972	368.473	XHXVAEXUUFWAOE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-092349
CC(C)(C)c1ccc(C(=O)C(=O)NCCc2nnc3n2CCCCC3)cc1	ZINC22_58231600,MCULE-6547787410,PC-id_48351585,EMOLS-id_32103766	368.473	FUQSKCUJCXIRKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092350
C=CC[C@@H]1CC=C[C@H](N1C(=O)c1cc2n(n1)CCCN(C2)C(=O)C)CC=C	PC-id_50967639,MCULE-5396707009,EMOLS-id_32405072	368.473	VHSSZHBCNUTLPZ-QZTJIDSGSA-N	00000000100011000101000000000010000000000000000000000000	31-01-092351
CC[C@H](O)c1cc2n(n1)CCCN(Cc1[nH]c3ccc(OC)cc3c1C)C2	PC-id_100046373,ZINC22_219732590	368.473	ZWQCPBRLPAZJSC-NRFANRHFSA-N	00000000100000100101000001100010000000000000000000000000	31-01-092352
CC[C@@H](O)c1cc2n(n1)CCCN(Cc1[nH]c3ccc(OC)cc3c1C)C2	ZINC22_219732515,PC-id_100046371	368.473	ZWQCPBRLPAZJSC-OAQYLSRUSA-N	00000000100000100101000001100010000000000000000000000000	31-01-092353
CC(C)N1CCCn2nc(C(=O)N(C)C[C@@H]3Cc4ccccc4O3)cc2C1	PC-id_95125371,ZINC22_65396030	368.473	AWJPPXWVXNDBSV-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092354
CC(C)N1CCCn2nc(C(=O)N(C)C[C@H]3Cc4ccccc4O3)cc2C1	ZINC22_65396031,PC-id_95125372	368.473	AWJPPXWVXNDBSV-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092355
CCC(O)c1cc2CN(Cc3[nH]c4ccc(OC)cc4c3C)CCCn2n1	EMOLS-id_50533469,PC-id_90649422,MCULE-9064592267	368.473	ZWQCPBRLPAZJSC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-092356
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(N3CCCCC3)cc1)C2	ZINC22_220641709,PC-id_100062386	368.473	DPUDHWUKGCKNHS-MRXNPFEDSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092357
C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(N3CCCCC3)cc1)C2	ZINC22_220641775,PC-id_100062388	368.473	DPUDHWUKGCKNHS-INIZCTEOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092358
C(CN1CCCC1)C1CN(Cc2ccc3OCOc3c2)Cc2ccnn2C1	EMOLS-id_50371805	368.473	FYWMEMJSYQTNGZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092359
CCN1CCC(CC1)C(=O)N1CC(Cn2cccc2C1)Oc1cccnc1	EMOLS-id_50013740	368.473	MWBNEODZOQGEDY-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-092360
CCN1CCC(C(=O)N2Cc3cccn3C[C@H](Oc3cccnc3)C2)CC1	ZINC22_249692693	368.473	MWBNEODZOQGEDY-FQEVSTJZSA-N	00000000100010101101000000000010000000000000000000000000	31-01-092361
CCN1CCC(C(=O)N2Cc3cccn3C[C@@H](Oc3cccnc3)C2)CC1	ZINC22_249692696	368.473	MWBNEODZOQGEDY-HXUWFJFHSA-N	00000000100010101101000000000010000000000000000000000000	31-01-092362
CCOc1ccccc1Cn1ccc2=CCCC(=NC(=c12)NCCOC)N	PC-id_134293820,SCHEMBL19910343	368.473	BDAFPWRUWZXXAT-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-092363
CN1CCN(CC1)c1ccc(c(c1)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100939932	368.473	HYLURJIXWVEDTA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092364
CN1CCN(CC1)Cc1cccc(c1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100097250	368.473	PZGDEKSBEUFNHI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092365
CN(Cc1ccc2OCCc2c1)C1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922736,MCULE-1566122750,EMOLS-id_50586247	368.473	FSAYEHCNMUWDPS-UHFFFAOYSA-N	00100010100000100101000000001010000000000000000000000000	31-01-092366
CN(C)c1ccc(cc1)CC(=O)N1CCCn2c(cc(n2)C(C2CC2)O)C1	PC-id_91770966	368.473	YWBORQCYDUWJIS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-092367
COc1ccc(C2(C(=O)NCc3cc4n(n3)CCCNC4)CCCC2)cc1	ZINC22_82108390,EMOLS-id_44434481,PC-id_70735977,MCULE-2014495351	368.473	IFBSVICWQQQARK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-092368
COc1ccccc1C1(CCCC1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320170658,MCULE-2575184653	368.473	GPPPCHHVNBTGFF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-092369
COc1cccc(c1)CN1CCN(CC1)C(=O)c1cnc2n1CCCCC2	EMOLS-id_316640118	368.473	RMWRFLQATPIBMS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092370
COc1ccc(cc1)C(=O)N1CC(CCN2CCCC2)Cn2nccc2C1	EMOLS-id_50372205	368.473	GQVSRUKLPZDKNX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092371
COc1cccc(c1)C(=O)N1CC(CN2CCCCC2)Cn2nccc2C1	EMOLS-id_50375641	368.473	CGJTWYMFZMPTPL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092372
COc1cccc(CC(=O)N2CCCn3cnc(CN4CCCC4)c3C2)c1	ZINC22_96259305,PC-id_97519389,EMOLS-id_44370154	368.473	BTOXZQQCLCLUSU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092373
COc1cccc(CN2CCc3ncc(CNC(=O)C4CCC4)n3CC2)c1	EMOLS-id_313780168,ZINC22_2055772640	368.473	IOQUKDQLJBYICO-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-092374
COc1ccc(CC(=O)N2Cc3ccnn3C[C@H](CN3CCCC3)C2)cc1	ZINC22_247920718	368.473	OEUYLDHABXFSQK-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092375
COc1ccc(CC(=O)N2Cc3ccnn3C[C@@H](CN3CCCC3)C2)cc1	ZINC22_247920721	368.473	OEUYLDHABXFSQK-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092376
COc1cccc(C(=O)N2Cc3ccnn3C[C@@H](CN3CCCCC3)C2)c1	ZINC22_248117933	368.473	CGJTWYMFZMPTPL-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092377
COc1cccc(C(=O)N2Cc3ccnn3C[C@H](CN3CCCCC3)C2)c1	ZINC22_248117937	368.473	CGJTWYMFZMPTPL-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092378
COc1ccc(CC(=O)N2CC(CN3CCCC3)Cn3nccc3C2)cc1	EMOLS-id_50371565	368.473	OEUYLDHABXFSQK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092379
COc1ccc(CC(=O)N2CCCn3cnc(CN4CCCC4)c3C2)cc1	EMOLS-id_44370180,PC-id_97519401,ZINC22_96259317	368.473	XXIQCBJEQPVLJN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092380
COc1ccc(C(=O)N2Cc3ccnn3C[C@@H](CCN3CCCC3)C2)cc1	ZINC22_248123664	368.473	GQVSRUKLPZDKNX-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092381
COc1ccc(C(=O)N2Cc3ccnn3C[C@H](CCN3CCCC3)C2)cc1	ZINC22_248123666	368.473	GQVSRUKLPZDKNX-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092382
COCc1nnc2CCC(CCn12)NC(=O)C1(CCCC1)c1ccccc1	PC-id_91910761,EMOLS-id_50590311,MCULE-5655988248	368.473	SGUCFIDAIATMFC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-092383
n12CCCNCc1cc(CCC(=O)Nc1cccc(OC3CCCC3)c1)n2	ZINC22_72407260,PC-id_70705331,EMOLS-id_43056108,MCULE-9476329112	368.473	VAPPNCPDVVSJSP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092384
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)CCC1CCCC1	EMOLS-id_168607841,MCULE-1478029420	368.473	WCGIBORZMSJTJL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092385
n1c(CNC(=O)N2CCC(CC2)(O)c2ccccc2)c2c(CCCCC2)[nH]1	MCULE-5111610968,ZINC22_426411598,PC-id_121497495,EMOLS-id_177383423	368.473	ZCSDXPYNXHKAIH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092386
O(C12CN(CC1)CCC2)c1ccc(CN2CCc3[nH][nH]c(=O)c3CC2)cc1	MCULE-8858919640,EMOLS-id_36439490,PC-id_56709800	368.473	GJMWZZHEOBTOJA-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-092387
Oc1ccc(cc1)CCC1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	MCULE-5710382317,EMOLS-id_320254369	368.473	KTIUAYXDVYFEIT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092388
OC1CCCN(C1CCc1ccccc1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316581004	368.473	CISUSGVHMXMLEW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092389
OC1CCN(CC1)C(C(=O)N1CCCc2c(C1)cnn2C)c1ccccc1	EMOLS-id_101671382	368.473	HRKBFNLABZNELT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092390
Oc1n[nH]c2c1CCN(Cc1ccc(O[C@@]34CCCN(CC3)C4)cc1)CC2	ZINC22_67818090	368.473	GJMWZZHEOBTOJA-NRFANRHFSA-N	00000010100010110101000000000110000000000000000000000000	31-01-092391
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)COC1CCCCC1	MCULE-6312799118,EMOLS-id_320231907	368.473	XUHUCXVNBYPVCV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092392
OCC1(CCN(CC1)C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1	EMOLS-id_320039847,MCULE-2064390000	368.473	SGTZQRPHQJQAEJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092393
O=C(c1noc2c1CCCCC2)NCc1ccc(nc1)N1CCCCCC1	EMOLS-id_100944594	368.473	PMWIVQRAQKNPPD-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-092394
O=C(c1noc2c1CCCCC2)NCc1ccnc(c1)N1CCCCCC1	EMOLS-id_100119015	368.473	ITMJSNLQBMXSHP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-092395
O[C@@H]1C[C@@](C1)(C(=O)NCCCc1nnc2n1CCCCC2)c1ccccc1	EMOLS-id_278596122	368.473	CPOVATRZWFTLJT-UEDWGHLCSA-N	00001000100000110101100000000010000000000000000000000000	31-01-092396
O[C@H](C1CCN(CC1)C(=O)c1nnc2n1CCCCC2)Cc1ccccc1	PC-id_99992942	368.473	OBPYDORNXXYJPZ-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092397
O[C@@H](C1CCN(CC1)C(=O)c1nnc2n1CCCCC2)Cc1ccccc1	PC-id_99992947	368.473	OBPYDORNXXYJPZ-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092398
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)NC(c1ccccc1)C1COCC1	EMOLS-id_316878316,MCULE-2479896971	368.473	CTPUBIFHRYCCJW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092399
O=C(N1CCCc2c(C1)cco2)Nc1cnc(c(c1)C)N1CCCCC1C	EMOLS-id_99356389	368.473	QEINMVRUJNAQSN-UHFFFAOYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-092400
O=C(N1CCCc2c(C1)cnn2C)NCC1CCCOC1c1ccccc1	EMOLS-id_101726730	368.473	NLHNDMSPGSPMMY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092401
O=C(N1C(CC=CC1CC=C)CC=C)c1nn2c(CN(CCC2)C(=O)C)c1	PC-id_75592049	368.473	VHSSZHBCNUTLPZ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-092402
O=C(N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O)Cc1ccc(cc1)N(C)C	PC-id_100041309	368.473	YWBORQCYDUWJIS-NRFANRHFSA-N	00100000100000110101000000000010000000000000000000000000	31-01-092403
O=C(N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O)Cc1ccc(cc1)N(C)C	PC-id_100041311	368.473	YWBORQCYDUWJIS-OAQYLSRUSA-N	00100000100000110101000000000010000000000000000000000000	31-01-092404
O=C(N(C1CC(C1(C)C)Oc1ccccc1)C)C1CCn2c(CC1)nnc2	EMOLS-id_319851809	368.473	UOZRRDZIZXKBSE-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-092405
O=C(Nc1c(C)cccc1C(C)C)Cn1cc2c(n1)CC(CNC2=O)(C)C	EMOLS-id_318158611	368.473	SGCNIPQZXZFFPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092406
O=C(NC(C1CCCC1)c1ccccc1)Cn1nc2n(CCCCC2)c1=O	PC-id_60479670	368.473	MWKOZWPJAKEZDC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092407
O=C(NCc1cccnc1)C1CN(CC2CCOCC2)Cc2cccn2C1	EMOLS-id_50019524	368.473	RVJKDJATTMCLDH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-092408
O=C(NCc1cccnc1)[C@H]1CN(CC2CCOCC2)Cc2cccn2C1	ZINC22_247507194	368.473	RVJKDJATTMCLDH-IBGZPJMESA-N	00000000100010101101000000000010000000000000000000000000	31-01-092409
O=C(NCc1cccnc1)[C@@H]1CN(CC2CCOCC2)Cc2cccn2C1	ZINC22_247507204	368.473	RVJKDJATTMCLDH-LJQANCHMSA-N	00000000100010101101000000000010000000000000000000000000	31-01-092410
O=C(NCCc1n2CCCCCc2nn1)/C=C/c1ccc(OCCC)cc1	PC-id_60544363	368.473	SOSOAGNULUNDNG-FMIVXFBMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092411
O=C(NCCc1n2CCCCCc2nn1)C=Cc1ccc(OCCC)cc1	PC-id_76866942	368.473	SOSOAGNULUNDNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092412
O=C(NC(C(=O)N1CCCc2c(C1)cnn2C)C(C)C)Cc1ccccc1	EMOLS-id_318184932	368.473	XAPUYYJAOXGPMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092413
OC(=O)C1CCC(CC1)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	PC-id_122032924,EMOLS-id_72769497,MCULE-2671879465	368.473	YDFCUTXRWDBVKW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092414
Cc1ccc(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)s1	EMOLS-id_44452779,MCULE-5311694628,PC-id_70788653,ZINC22_82171949	368.474	HKGUEBVWTVSVCH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092415
Cc1cc(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)cs1	MCULE-3063023341,PC-id_70759011,EMOLS-id_44442515,ZINC22_82127958	368.474	PGUABPYFZWJDFS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092416
Cc1ccsc1C(=O)N1CCCn2cnc(CNS(=O)(=O)C)c2C1	EMOLS-id_44370412,ZINC22_96259430,PC-id_97519514	368.474	CRXXVLIURDBJHB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092417
Cc1nc(COC2CN(Cc3ccnn3C2)S(=O)(=O)C2CC2)cs1	EMOLS-id_50011172	368.474	CKYCAUAKWOGTJU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-092418
Cc1nc(CO[C@H]2CN(S(=O)(=O)C3CC3)Cc3ccnn3C2)cs1	ZINC22_248002641	368.474	CKYCAUAKWOGTJU-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-092419
Cc1nc(CO[C@@H]2CN(S(=O)(=O)C3CC3)Cc3ccnn3C2)cs1	ZINC22_248002645	368.474	CKYCAUAKWOGTJU-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-092420
CC(=O)N1CCCn2nc(CNS(=O)(=O)c3cc(C)cs3)cc2C1	MCULE-5822600795,EMOLS-id_44444603,ZINC22_82137044,PC-id_70765159	368.474	IMCUNQATEIUZKJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092421
CC(=O)N1CCCn2nc(CNS(=O)(=O)c3ccc(C)s3)cc2C1	MCULE-7581750324,EMOLS-id_44448999,PC-id_70777725,ZINC22_82156049	368.474	RDKQMKCHYPZLFY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092422
Cn1ncc(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCCCCC2	GD-id_ZINC47992288	368.474	LSZTZZJYSCCIBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092423
CNC(=O)c1cc(cs1)S(=O)(=O)NCc1n[nH]c2CCCCCc12	ZINC22_670448965,MCULE-2175292953,EMOLS-id_222766077	368.474	FVMVASWVEMVUBU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092424
CS(=O)(=O)N1CCCn2nc(CNC(=O)Cc3ccsc3)cc2C1	EMOLS-id_46026537,MCULE-9261616307,ZINC22_91505907,PC-id_72839749	368.474	JEMIPMFKAGMFDD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092425
CS(=O)(=O)NCC1CN(Cc2ccnn2C1)C(=O)Cc1cccs1	EMOLS-id_50375933	368.474	GXFXGCLFIBSSLZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092426
CS(=O)(=O)NCC1CN(Cc2ccnn2C1)C(=O)Cc1ccsc1	EMOLS-id_50372919	368.474	DUXYUDZIUMFVCB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092427
CS(=O)(=O)NC[C@@H]1CN(C(=O)Cc2cccs2)Cc2ccnn2C1	ZINC22_247506061	368.474	GXFXGCLFIBSSLZ-GFCCVEGCSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092428
CS(=O)(=O)NC[C@H]1CN(C(=O)Cc2cccs2)Cc2ccnn2C1	ZINC22_247506070	368.474	GXFXGCLFIBSSLZ-LBPRGKRZSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092429
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n12CCC(CCc1nn(CC1CC1)c2=O)NS(=O)(=O)c1cccs1	EMOLS-id_50586059,MCULE-7447200291,PC-id_91910860	368.474	LTXVGMGBLGAPGX-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-092432
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s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1nc(n(c1)C)C	PC-id_56323684	368.474	YGXZWTPHHVVFGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092439
c12CN(CCC)CCCn1nc(CNC(=O)c1cnc(nc1C)C1CC1)c2	ZINC22_82098804,MCULE-3248229040,PC-id_70724450,EMOLS-id_44430415	368.476	MBEOADXCOCKQGP-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-092440
c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)Cc1cccnc1N	ZINC22_92028651,MCULE-6205930796,PC-id_72932549,EMOLS-id_46093919	368.476	NFUVEJWJDKUEGA-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-092441
c12CN(CCCn1nc(CNc1c(CCC)cncn1)c2)C(=O)C1CCC1	ZINC22_82091732,EMOLS-id_44425859,PC-id_70711467,MCULE-2251601286	368.476	IDWPBJUCPXTCDR-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-092442
c12CN(CCCn1nc(CNc1cc(CC)nc(C)n1)c2)C(=O)C1CCC1	MCULE-2272476613,PC-id_70738947,ZINC22_82109159,EMOLS-id_44435495	368.476	URBOVLZWGSTABO-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-092443
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c12CN(CCCn1nc(CNc1ncncc1C(C)C)c2)C(=O)C1CCC1	PC-id_70767455,EMOLS-id_44445453,ZINC22_82137670,MCULE-4368520096	368.476	JUGLCRZBEZFNAA-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-092446
c12CN(CCCn1nc(CN(C)Cc1cccnc1)c2)C(=O)N1CCCC1	EMOLS-id_43168188,MCULE-8406140611,PC-id_56912930,ZINC22_72476620	368.476	ZHXYYZOADIVWKZ-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-092447
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Cc1cccc(n1)NC(=O)C1CCCN(C1)Cc1nnc2n1CCCCC2	MCULE-3807280810,EMOLS-id_316837156,PC-id_134813116	368.476	JNVCEQXJIXSJLO-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-092452
Cc1cccc(NC(=O)[C@H]2CCCN(Cc3nnc4n3CCCCC4)C2)n1	ZINC22_363201894	368.476	JNVCEQXJIXSJLO-INIZCTEOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-092453
Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3nnc4n3CCCCC4)C2)n1	ZINC22_363201895	368.476	JNVCEQXJIXSJLO-MRXNPFEDSA-N	00000000100010101101000000000010000000000000000000000000	31-01-092454
Cc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c(C)n1	MCULE-4903758995,ZINC22_40153377,EMOLS-id_30260589,PC-id_45913950	368.476	KUMWZUSQLZKJEO-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-092455
Cc1ccc(NC(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)cc1	EMOLS-id_44370736,PC-id_97519676,ZINC22_96259594	368.476	WFPSTWWIDILODY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092456
Cc1ccnc(c1)N1CCN(CC1)C(=O)CCc1cc2CNCCCn2n1	EMOLS-id_43118361,MCULE-7801422930,ZINC22_72428188,PC-id_70739871	368.476	PONNVUFRWKVNGW-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-092457
CC1CCN(CC1NC(=O)C1CCn2c(CC1)nnn2)Cc1ccccc1	EMOLS-id_279008133	368.476	KRCUGSSQAIGTHK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092458
CC1CC(NC(=O)NC2CCn3c(CC2)nnn3)CC(C1)c1ccccc1	EMOLS-id_102160918	368.476	YDFWYMXGEQAYPA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092459
Cc1nc(CCNC(=O)CCc2cc3CNCCCn3n2)nc2CCCc12	PC-id_70769017,EMOLS-id_43158502,MCULE-9803166700,ZINC22_72473105	368.476	UKPVSPDTNUAJIA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092460
CCc1ccc(cc1)C1CCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161137	368.476	QVWZSEHNLACCIQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092461
CCC1CN(CCC1c1ccccc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164959	368.476	FEAYJSGLJWPYQV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092462
CC(C)/C=C/CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1	EMOLS-id_44851171,PC-id_42247286,CoCoCo_1125447,CoCoCo_1125445,ZINC22_11881369	368.476	ATXPIDOTKXYXNK-SNAWJCMRSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092463
CC(/C=CCN1CCc2n(CC1)c(nn2)CCNC(=O)c1cccnc1)C	CoCoCo_1125444,CoCoCo_1125446	368.476	ATXPIDOTKXYXNK-PLNGDYQASA-N	00000000100000101101000000000010000000000000000000000000	31-01-092464
C/C=C(C)/CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	CoCoCo_1258756,ZINC22_12034539,EMOLS-id_44852037,CoCoCo_1258758,PC-id_42365860	368.476	VVPXKMPXINBSOB-HQYXKAPLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092465
C/C=C(CN1CCc2n(CC1)c(nn2)CNC(=O)CCc1cccnc1)/C	CoCoCo_1258755,CoCoCo_1258757	368.476	VVPXKMPXINBSOB-XFQLMFQHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092466
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CC(=CCN1CCc2nc(C(=O)N3CC[C@@H](c4cc[nH]n4)C3)cn2CC1)C	ZINC22_1875243414	368.476	GMONXUZMXHMILI-MRXNPFEDSA-N	00000010100000000101100000000010000000000000000000000000	31-01-092468
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CC(N1CCCn2c(C1)ccc2C(=O)N1CCN(CC1)c1ncccn1)C	MCULE-6581028157,EMOLS-id_317416543	368.476	RDWJDOPXYUJNGP-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-092470
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CN1CCCCCC1C(=O)N1CCn2c(CC1)nnc2Cc1cccnc1	MCULE-6452617674,PC-id_72926753,EMOLS-id_46644690	368.476	DNEJTVHEWLLUHY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092472
CN1CCCCC[C@@H]1C(=O)N1CCn2c(CC1)nnc2Cc1cccnc1	PC-id_97207449	368.476	DNEJTVHEWLLUHY-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092473
CN1CCCCC[C@H]1C(=O)N1CCn2c(CC1)nnc2Cc1cccnc1	PC-id_97207450	368.476	DNEJTVHEWLLUHY-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092474
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CN(C1CCCCC1c1ccccc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102107105	368.476	FNDYRJNTFYZOEX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092476
CN=C(NCC1Cc2c(O1)cccc2)NCCc1nnc2n1CCCCC2	PC-id_111949449	368.476	JVDWLQCRJBBCEA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092477
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O=S(=O)(N1CCCCCC1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_230563140	368.494	KARBJHMHULDDEP-QGZVFWFLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-092582
O=S(=O)(NCC1CN(CC2CCOCC2)Cc2ccnn2C1)C1CC1	EMOLS-id_50375469	368.494	WDVSZGLJMJFHKZ-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-092583
O=S(=O)(NC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1)C1CC1	ZINC22_247351722	368.494	WDVSZGLJMJFHKZ-HNNXBMFYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-092584
O=S(=O)(NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1)C1CC1	ZINC22_247351730	368.494	WDVSZGLJMJFHKZ-OAHLLOKOSA-N	00100000100010000101000000000010000000000000000000000000	31-01-092585
Cc1ccc(CN2Cc3ccnn3C[C@H](COCc3ccccn3)C2)s1	PC-id_97381900,ZINC22_96059247	368.496	LAUNVFSZYZHAQC-QGZVFWFLSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092586
Cc1ccc(CN2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)s1	ZINC22_96059248,PC-id_97381901	368.496	LAUNVFSZYZHAQC-KRWDZBQOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092587
Cc1ccc(CN2Cc3nccn3C[C@H](COCc3ccccn3)C2)s1	PC-id_97381820,ZINC22_96059167	368.496	GFRKQJDVFKYYIY-QGZVFWFLSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092588
Cc1ccc(CN2Cc3nccn3C[C@@H](COCc3ccccn3)C2)s1	ZINC22_96059168,PC-id_97381821	368.496	GFRKQJDVFKYYIY-KRWDZBQOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092589
Cc1ccc(CN2Cc3nccn3C[C@@H](COCc3cccnc3)C2)s1	PC-id_97381803,ZINC22_96059150	368.496	GYNFTQIXHZHVJY-SFHVURJKSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092590
Cc1ccc(CN2Cc3nccn3C[C@H](COCc3cccnc3)C2)s1	ZINC22_96059149,PC-id_97381802	368.496	GYNFTQIXHZHVJY-GOSISDBHSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092591
Cc1ccc(CN2CC(COCc3ccccn3)Cn3ccnc3C2)s1	EMOLS-id_46148517	368.496	GFRKQJDVFKYYIY-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092592
Cc1ccc(CN2CC(COCc3ccccn3)Cn3nccc3C2)s1	EMOLS-id_46148597	368.496	LAUNVFSZYZHAQC-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092593
Cc1ccc(CN2CC(COCc3cccnc3)Cn3ccnc3C2)s1	EMOLS-id_46148499	368.496	GYNFTQIXHZHVJY-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-092594
CCCC1C=CC=c2c(=C1)ccn2Cc1scc(c1)C(=N)NNC(=O)C	SCHEMBL18977826	368.496	GLKLMBSGMGTFQP-UHFFFAOYSA-N	00000000100100000110000000000010000000000000000000000000	31-01-092595
CCC(c1nnc2n1CCCCC2)NC(=O)c1csc2c1ccc(c2)C	EMOLS-id_100323806	368.496	XDRHPFXFNWZZLG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092596
CSc1ccc(c2nc(CN3CCCn4nc(C)cc4C3)c(C)o2)cc1	EMOLS-id_43140770,PC-id_70755121,ZINC22_72447860,MCULE-1440716101	368.496	NSLQOWAEIARCNA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092597
N#Cc1c(NC(=O)CCn2cnc3c2CCCC3)sc2c1CCCCC2	EMOLS-id_101271641	368.496	ZPVQBEGQEHNVSB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-092598
N#Cc1c(NC(=O)CN2CCn3c(C2C)ccc3)sc2c1CCCCC2	EMOLS-id_98561032,PC-id_51225412	368.496	ZGSJSIHVIKTUOT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-092599
N#CC(c1nnc2n1CCCCC2)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110416990	368.496	BIGUJYDDXJITNL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092600
O=C(CSc1nnc2n1CCCCC2)N1CC=C(c2ccccc2)CC1	ZINC22_7280628,PC-id_8379262,MCULE-8898036195,EMOLS-id_13488664,CoCoCo_4054304	368.496	FHXCDNFQUPPDKE-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-092601
O=C(N1CCC=C(C1)c1ccncc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98978449	368.496	QRFFUCVUBFKQBL-UHFFFAOYSA-N	00000000100011101101100000000010000000000000000000000000	31-01-092602
O=C(NCc1n2CCCCCc2nn1)c1ccc(C[NH+]2CCCCC2)cc1	PC-id_52281619	368.496	BGPIDALATPKDRC-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-092603
O=C(NC(c1n2CC[NH+](CCc2nn1)CCCc1ccccc1)C)C1CC1	PC-id_74494515	368.496	HKAMZMRFGLNWOJ-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-092604
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)CCCc1ccccc1)C)C1CC1	PC-id_26282641	368.496	HKAMZMRFGLNWOJ-MRXNPFEDSA-O	00100000100000110101000000000010000000000000000000000000	31-01-092605
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)CCCc1ccccc1)C)C1CC1	PC-id_26282643	368.496	HKAMZMRFGLNWOJ-INIZCTEOSA-O	00100000100000110101000000000010000000000000000000000000	31-01-092606
S(c1n2CCCCCc2nn1)Cc1oc(c2ccc(C(C)C)cc2)cn1	PC-id_52163553	368.496	GASXPNLDMCMLSV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092607
c12CN(CCCn1nc(CNC(=O)[C@H](CCSC)N)c2)C(=O)N(C)C	EMOLS-id_44430505,ZINC22_82098941,MCULE-1551460334,PC-id_70724708	368.498	VXFFOWGHOCTBDB-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092608
CN=C(N1CCS(=O)(=O)C(C1)(C)C)NCc1nnc2n1CCCCC2	PC-id_109700467	368.498	UIJQNRDYXDPISN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-092609
S(CCC(N)C(=O)NCc1nn2CCCN(Cc2c1)C(=O)N(C)C)C	PC-id_77902784	368.498	VXFFOWGHOCTBDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092610
[Si](C)(C)(C)C#Cc1ccc2-c(c(cc2C(=O)OCC)C(=O)OCC)cc1	PC-id_15482670	368.498	KYSBILZFTAQBFH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092611
c12CN(CCCn1nc(CN(C)C)c2)Cc1cnc(nc1)c1cccs1	EMOLS-id_43069557,PC-id_56885105,ZINC22_72129018,MCULE-8585024863	368.499	HPCNEFJGMBSYIW-UHFFFAOYSA-N	00000000100100100101100000000010000000000000000000000000	31-01-092612
c1csc(c1)CN1CCCn2c(C1)cc(n2)CN1CCc2c(C1)c[nH]n2	MCULE-3545052296,EMOLS-id_43152830,PC-id_56907747	368.499	NFONMWLLPPDPFG-UHFFFAOYSA-N	00000000100110000101000000010010000000000000000000000000	31-01-092613
Cc1ccc(CN2Cc3ccnn3C[C@@H](CCNc3ncccn3)C2)s1	ZINC22_306126654	368.499	FBEAJFWYGRXSFO-INIZCTEOSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092614
Cc1ccc(CN2Cc3ccnn3C[C@H](CCNc3ncccn3)C2)s1	ZINC22_306126655	368.499	FBEAJFWYGRXSFO-MRXNPFEDSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092615
Cc1ccc(CN2CC(CCNc3ncccn3)Cn3nccc3C2)s1	EMOLS-id_50372665	368.499	FBEAJFWYGRXSFO-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-092616
CCCN1CCCn2nc(CNc3nnc(c4ccccc4)s3)cc2C1	ZINC22_82109538,EMOLS-id_44436063,PC-id_70740461,MCULE-1691269654	368.499	LYXAYNJMZQYYPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092617
S=c1n2CCCCCc2nn1CN(Cc1cn(nc1)c1ccccc1)C	PC-id_9321899	368.499	UJJGLXGKKZYPFD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092618
CCOC(=O)c1sc(c2c1CCCCCCCC(=CO)C2=O)SC	PC-id_139838776	368.511	HKKVTXCCUSDYPI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092619
CN(Cc1cc2c(o1)CCN(CC2)C(=O)CCCCCc1ccccc1)C	PC-id_19599923,SCHEMBL8434133	368.512	FOKHUKPFTWHJGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092620
CN(Cc1cc2c(o1)CN(CCC2)CC(=O)CCCCc1ccccc1)C	PC-id_57268429,SCHEMBL8804782	368.512	ANCLOQFLOAFNRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092621
CN(Cc1cc2c(o1)CN(CCC2)C(=O)CCCCCc1ccccc1)C	SCHEMBL8437221,PC-id_19600054	368.512	HKXRIHVRHIUOSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092622
COc1ccc(cc1)C1CCN(CC1)CCCc1onc2c1CCCCC2	PC-id_59939378,SCHEMBL7959434	368.512	LAQWLFNJULLIRD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092623
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CCOCC1	PC-id_3267745,EMOLS-id_4046286,GD-id_ZINC05979969,CoCoCo_6799892,TIMTEC502487,MCULE-9136802182,ZINC22_5979969	368.514	VKFKFMZJUHQMFX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-092624
CC(C)S(=O)(=O)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2	PC-id_95144228,ZINC22_65507131	368.514	XNDCGIIIJNZVFO-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092625
CC(C)S(=O)(=O)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2	ZINC22_84622116,PC-id_97018741	368.514	XNDCGIIIJNZVFO-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092626
COC(=O)c1c(NC(=O)N2CCCSCC2)sc2c1CCCCC2	EMOLS-id_110264070	368.514	SPDNCCZTFADLLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092627
N#Cc1c(sc2c1CCCCCC2)NC(=O)C(S(=O)(=O)C(C)C)C	PC-id_71888451,MCULE-5655287048,EMOLS-id_44543592	368.514	XNDCGIIIJNZVFO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092628
s1c2c(CCCCC2)c(c1NC(=S)NCC1OCCC1)C(=O)OC	PC-id_19653611	368.514	RYWBIWLBUAWSNH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-092629
s1c2c(CCCCCC2)c(c1NC(=S)N1CCOCC1)C(=O)OC	PC-id_19653724	368.514	MWFHNJYYCVGHPB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-092630
c12CN(CCC)CCCn1nc(CNC(=O)Cc1ccc(cc1)C(C)C)c2	ZINC22_82106654,EMOLS-id_44432167,MCULE-6415880742,PC-id_70729442	368.516	WHJJQLAVCANFBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092631
c12CN(CCCn1nc(CN(C)CCc1ccccc1)c2)CC1CCOC1	MCULE-3185265943,EMOLS-id_232812182,PC-id_56911938	368.516	LTXRBEKFEVCBRE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092632
c12CN(CCCn1nc(CNC(=O)Cc1cc(C)ccc1C)c2)CC(C)C	PC-id_70706106,ZINC22_82086618,MCULE-6807866097,EMOLS-id_44423911	368.516	HXSZVBUIXBHMSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092633
c12CN(CCCn1nc(CNC(=O)Cc1ccc(c(C)c1)C)c2)CC(C)C	ZINC22_82138909,PC-id_70771015,EMOLS-id_44446627,MCULE-9747154579	368.516	OXRVKEBSQSYWOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092634
c12CN(CCCn1nc(CNC(=O)CCc1ccccc1C)c2)CC(C)C	PC-id_70749613,MCULE-9299322367,ZINC22_82120799,EMOLS-id_44439267	368.516	SMMUGURADYHASY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092635
c12CN(CCCn1nc(CNC(=O)CCc1ccc(cc1)C)c2)CC(C)C	ZINC22_82098996,MCULE-8887986339,EMOLS-id_44430553,PC-id_70724901	368.516	KCMBZXIAMKDDCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092636
c12CN(CCCn1nc(CNC(=O)CC(C)c1ccccc1)c2)CC(C)C	MCULE-6747890786,EMOLS-id_44429861,PC-id_70722961	368.516	RWFBONLBALYRFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092637
c1ccc(COCCN2Cc3ccnn3C[C@@H](CN3CCCCC3)C2)cc1	ZINC22_253603828	368.516	NLZYRBQVRJBRDA-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092638
c1ccc(COCCN2Cc3ccnn3C[C@H](CN3CCCCC3)C2)cc1	ZINC22_253603829	368.516	NLZYRBQVRJBRDA-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092639
Cc1ccc(cc1)C1(O)CCN(CC1)CCCc1nnc2n1CCCCC2	PC-id_59939440,SCHEMBL7961346	368.516	AGGLWJWAOKCJAE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092640
CCCc1ccc(cc1)C(=O)N1CCCn2cnc(CN(C)C(C)C)c2C1	ZINC22_96259244,EMOLS-id_44370034,PC-id_97519328	368.516	FBSZAOAKUUVIPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092641
CC(C)CCNC(=O)c1cnc2n1CCN(CC2)CCCc1ccccc1	PC-id_134807951	368.516	SCRSBOHTYVDPHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092642
CC(C)CN1CCCn2nc(CNC(=O)C[C@H](C)c3ccccc3)cc2C1	PC-id_96573572,ZINC22_82098230	368.516	RWFBONLBALYRFJ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092643
CC(C)CN1CCCn2nc(CNC(=O)C[C@@H](C)c3ccccc3)cc2C1	ZINC22_82098229,PC-id_96573571	368.516	RWFBONLBALYRFJ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092644
C(CN1CC(CN2CCCCC2)Cn2nccc2C1)OCc1ccccc1	EMOLS-id_50373285	368.516	NLZYRBQVRJBRDA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092645
CCN(CC)CC1CN(Cc2ccnn2C1)C(=O)CCc1ccccc1C	EMOLS-id_55739760	368.516	ACEFTIZFVZPHSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092646
CCN(CC)C[C@H]1CN(C(=O)CCc2ccccc2C)Cc2ccnn2C1	ZINC22_306123010	368.516	ACEFTIZFVZPHSZ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-092647
CCN(CC)C[C@@H]1CN(C(=O)CCc2ccccc2C)Cc2ccnn2C1	ZINC22_306123011	368.516	ACEFTIZFVZPHSZ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092648
CN1CCCn2c(C1)c(nc2C(c1ccccc1)C)C(=O)NCC(C)(C)C	SCHEMBL13878455,PC-id_71017960	368.516	BTSFCBANSCTFAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092649
CN(C1CCn2c(CC1)nn(c2=O)Cc1ccccc1)CC1CCCCC1	MCULE-8512449411,EMOLS-id_96055638	368.516	LGDWIUNZMRIAOV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092650
CN(CCc1ccccc1)Cc1cc2n(n1)CCCN(C[C@H]1CCOC1)C2	ZINC22_257372230	368.516	LTXRBEKFEVCBRE-HXUWFJFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092651
CN(CCc1ccccc1)Cc1cc2n(n1)CCCN(C[C@@H]1CCOC1)C2	ZINC22_72166314	368.516	LTXRBEKFEVCBRE-FQEVSTJZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092652
COc1ccc(cc1)C1CCN(CC1)CCCc1nnc2n1CCCCC2	PC-id_59939443,SCHEMBL7949249	368.516	LSYRBWQLOJXZGL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092653
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s1c2CCCCCc2c(c1NC(=O)CC[NH+](Cc1ccccc1)C)C#N	PC-id_2085216	368.516	OZJLCASOWAVAMW-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-092655
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH2+][C@H](c1ccccc1)C)C)C#N	PC-id_9248784	368.516	MHVBMZBHGKWSRG-GJZGRUSLSA-O	00000000100000110100000000000010000000000000000000000000	31-01-092656
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH2+][C@@H](c1ccccc1)C)C)C#N	PC-id_9248786	368.516	MHVBMZBHGKWSRG-CABCVRRESA-O	00000000100000110100000000000010000000000000000000000000	31-01-092657
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH2+][C@H](c1ccccc1)C)C)C#N	PC-id_9248788	368.516	MHVBMZBHGKWSRG-LSDHHAIUSA-O	00000000100000110100000000000010000000000000000000000000	31-01-092658
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH2+][C@@H](c1ccccc1)C)C)C#N	PC-id_9248790	368.516	MHVBMZBHGKWSRG-HUUCEWRRSA-O	00000000100000110100000000000010000000000000000000000000	31-01-092659
s1c2c(CCCCC2)c(c1NC(=O)C([NH2+]C(c1ccccc1)C)C)C#N	PC-id_84963159	368.516	MHVBMZBHGKWSRG-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-092660
s1c2CCCCCc2c(c1NC(=O)C[NH+](Cc1ccc(cc1)C)C)C#N	PC-id_40789897	368.516	APMOXSTZPXWBMF-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-092661
Cc1ccc(CN2Cc3ccnn3C[C@@H](CCNS(=O)(=O)C)C2)s1	ZINC22_248094831	368.517	MJHQPKJTWQDNIM-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092662
Cc1ccc(CN2Cc3ccnn3C[C@H](CCNS(=O)(=O)C)C2)s1	ZINC22_248094968	368.517	MJHQPKJTWQDNIM-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092663
Cc1ccc(CN2CC(CCNS(=O)(=O)C)Cn3nccc3C2)s1	EMOLS-id_50372175	368.517	MJHQPKJTWQDNIM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092664
CCCN1CCCn2nc(CNS(=O)(=O)c3cc(C)cs3)cc2C1	MCULE-6468700064,EMOLS-id_44427173,ZINC22_82096291,PC-id_70715243	368.517	YXUPRYPOGLEWNN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092665
CCCN1CCCn2nc(CNS(=O)(=O)c3ccc(C)s3)cc2C1	PC-id_70748189,EMOLS-id_44438765,MCULE-8551562733,ZINC22_82120454	368.517	MZHKTPNTXJGCRO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092666
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CCS(=O)(=O)NCCC1CN(Cc2cccs2)Cc2ccnn2C1	EMOLS-id_50371857	368.517	OBWHEROHFNQNOM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092668
CCS(=O)(=O)NCC[C@H]1CN(Cc2cccs2)Cc2ccnn2C1	ZINC22_253491874	368.517	OBWHEROHFNQNOM-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092669
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c12CN(CCCn1nc(CN1CCCC(Cn3ccnc3)C1)c2)CC=CC	PC-id_72075098,MCULE-4588522482	368.519	WHVVAHVHIQNPBU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-092671
c12CN(CCCn1nc(CN(C)CC(C)C)c2)Cc1cc(n(CC)c1)C#N	PC-id_56899090,EMOLS-id_43126981,MCULE-9130514542,ZINC22_72162472	368.519	JWCBFMBFIOIWBQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-092672
CCc1cccc(c1NC(=NCCCc1nnc2n1CCCCC2)N)CC	PC-id_111093733	368.519	PCRJDAZBFSNZDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092673
C/C=C/CN1CCCn2nc(CN3CCCC(Cn4ccnc4)C3)cc2C1	PC-id_56907964,EMOLS-id_44856622	368.519	WHVVAHVHIQNPBU-NSCUHMNNSA-N	00000000100010000101000000000010000000000000000000000000	31-01-092674
C/C=C/CN1CCCn2nc(CN3CCC[C@@H](Cn4ccnc4)C3)cc2C1	ZINC22_229722285	368.519	WHVVAHVHIQNPBU-LSTKMXGYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-092675
C/C=C/CN1CCCn2nc(CN3CCC[C@H](Cn4ccnc4)C3)cc2C1	ZINC22_72463852	368.519	WHVVAHVHIQNPBU-PHXNAMCJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-092676
CCCCNC(=NCc1ccc(cc1)C)NCc1nnc2n1CCCCC2	PC-id_111031940	368.519	GLIWKFKLQHZIAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092677
CCNC(=NCc1ccccc1CC)NCCc1nnc2n1CCCCC2	PC-id_111636197	368.519	YYCRSOFBSZREIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092678
CCNC(=NCc1ccc(cc1C)C)NCCc1nnc2n1CCCCC2	PC-id_111938303	368.519	GRFHKAWFPNOGNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092679
CCNC(=NCc1ccc(cc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111244163	368.519	SDRNWZUERGYDJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092680
CCNC(=NCc1ccccc1C)NCCCc1nnc2n1CCCCC2	PC-id_111359716	368.519	JGPUUIWEERZPDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092681
CCNC(=NCc1cccc(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_111900483	368.519	SDOGPTLNLNDURV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092682
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)CC)C	PC-id_111283159	368.519	UJPKFZNHTGHYIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092683
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccc(cc1)C)C	PC-id_111622470	368.519	CTTURVOJTKEDON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092684
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1cccc(c1)C)C	PC-id_111659957	368.519	ZGGWUQNSLCCFED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092685
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccccc1)(C)C	PC-id_111948055	368.519	BPXFGQVOYREFCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092686
CCNC(=NCc1nnc2n1CCCCC2)NCCc1cc(C)cc(c1)C	PC-id_111649556	368.519	RLNZKDWRJTYFPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092687
CCNC(=NCc1nnc2n1CCCCC2)NC(CCc1ccccc1)C	PC-id_111171545	368.519	YHGSHLYQCHDFEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092688
CCNC(=NCC(c1ccccc1)C)NCCc1nnc2n1CCCCC2	PC-id_111342773	368.519	HOSMCGCRBNUNBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092689
CCNC(=NCCCc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111199998	368.519	YFCLMEKEWLQPJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092690
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1ccccc1)C	PC-id_110948920	368.519	ZVMBKPMFIQUXRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092691
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccccc1)C	PC-id_110951140	368.519	IUKQVDGLELQXCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092692
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccccc1	PC-id_111135865	368.519	SEWNQLFOPSWMRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092693
CN=C(N(Cc1ccccc1C)C)NCCCc1nnc2n1CCCCC2	PC-id_111287587	368.519	DMRYEGWAVBWLRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092694
CN=C(N(Cc1ccc(cc1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_111289885	368.519	ZCWBROSBAYTJFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092695
CN=C(NC(c1ccccc1C)C)NCCCc1nnc2n1CCCCC2	PC-id_111322102	368.519	KSYCBTYHOCGGEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092696
CN=C(NCc1ccccc1CC)NCCCc1nnc2n1CCCCC2	PC-id_111635708	368.519	GIJRDGOZIBNPKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092697
CN=C(NCc1ccc(cc1C)C)NCCCc1nnc2n1CCCCC2	PC-id_111937885	368.519	UBIHLTYYRGYLRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092698
CN=C(NCC(c1ccc(cc1)C)C)NCCc1nnc2n1CCCCC2	PC-id_111622224	368.519	YUAOVEQAKKJREZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092699
CN=C(NCC(c1cccc(c1)C)C)NCCc1nnc2n1CCCCC2	PC-id_111659232	368.519	UAJJNPYSWZWMDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092700
CN=C(NCC(c1ccccc1)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111948121	368.519	LAGKFQRTWAJUSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092701
CN=C(NCC(c1ccccc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111343349	368.519	RBHJNQVCVDSWEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092702
CN=C(NCCc1cc(C)cc(c1)C)NCCc1nnc2n1CCCCC2	PC-id_111648948	368.519	DNKNNDJNGGFCIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092703
CN=C(NCCCc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111200134	368.519	AESYAGHOOTYEHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092704
N1(CCCn2nc(cc2C1)CN(C)C)Cc1cnc(nc1)C1CCCCC1	PC-id_56918503	368.519	JKFTYVZYVXVJQQ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-092705
c1(csc2CCCCCc12)C(=O)N1CCN(C(C)C1)c1cccc(C)c1	EMOLS-id_16062911,MCULE-8991704711,PC-id_20881897	368.536	WQYCFAZXWGEXDX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092706
Cc1cccc(c1)N1CCN(C[C@@H]1C)C(=O)c1csc2c1CCCCC2	CoCoCo_2171630,CoCoCo_2171632,PC-id_92239868	368.536	WQYCFAZXWGEXDX-KRWDZBQOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092707
Cc1cccc(c1)N1CCN(C[C@H]1C)C(=O)c1csc2c1CCCCC2	PC-id_92239869,CoCoCo_2171631,CoCoCo_2171633	368.536	WQYCFAZXWGEXDX-QGZVFWFLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092708
CCCn1c(C)c(c2c1CCCCC2)C(=O)c1cc2c(n1CC)scc2	SCHEMBL12443177,PC-id_53358481	368.536	KNAYCUJJIYYKAB-UHFFFAOYSA-N	00000000100000000100000100000010000000000000000000000000	31-01-092709
NC[C@@H]1CN(C[C@H]1c1ccccc1)C(=O)c1sc2c(c1)CCCCCC2	PC-id_120745945	368.536	IZLRZQSAGJQZFY-MOPGFXCFSA-N	00000010100000110100100000000010000000000000000000000000	31-01-092710
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)c1c(c(ccc1)C)C	PC-id_7568018	368.536	MMBMNMBHUOTROU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092711
s1c2CCCCCc2cc1C(=O)Nc1ccc(N2CCCCCC2)cc1	PC-id_7582274	368.536	IVQNGSXTXBNIOT-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-092712
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1cc(ccc1)C	PC-id_27048963	368.536	BAISVWMLBFAXAJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092713
C=CC(c1ccccc1N1CCCCC1)N1CCc2c(CC1)nc(s2)N	SCHEMBL7292164,PC-id_53778772	368.539	DTSSJTBZBGAUTD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092714
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1)N1CCCCC1	PC-id_19985900,SCHEMBL7293442	368.539	LGCLUPJOWHYWIK-FNORWQNLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092715
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc(cc1)N1CCCCC1	SCHEMBL7282553,PC-id_19985873	368.539	HPLFKCYGPTXYBJ-SNAWJCMRSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092716
Nc1nc2c(s1)CCN(CC2)CC=Cc1ccccc1N1CCCCC1	SCHEMBL7283806,PC-id_54240659	368.539	QPTOZWZHXLOMMY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092717
NC(N1CCCc2c(C1=N)ccs2)C1CCN(C1)CCc1ccccc1	PC-id_141859847	368.539	BQJJJUJUWGZVKB-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-092718
s1c2CCN(CCc2nc1N)CC=Cc1ccc(N2CCCCC2)cc1	PC-id_53889430	368.539	HPLFKCYGPTXYBJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092719
s1c2CCN(CCc2nc1N)CC=Cc1cc(N2CCCCC2)ccc1	PC-id_54031784	368.539	LGCLUPJOWHYWIK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-092720
O(CCCCCCCC)C(=O)CCc1c2-c(cc(C(C)C)cc1)c(cc2)C	PC-id_85603934	368.552	FGDACZDGJCPJIA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092721
OC(=O)CCCCCCCCCCc1c2-c(c(cc2)C)cc(C(C)C)cc1	PC-id_85603953	368.552	MSNAQWHJVLWXDB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092722
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCC)C(=O)OC	PC-id_19650814	368.557	UVZGUPIXKMCXFE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092723
s1c2c(CCCCC2)c(c1NC(=S)N(CCC)CCC)C(=O)OC	PC-id_19653045	368.557	LFEHLWWQVJQBCY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092724
s1c2c(CCCCC2)c(c1NC(=S)NC(C(C)(C)C)C)C(=O)OC	PC-id_19676411	368.557	WGRHQLSRPDWKFE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092725
s1c2c(CCCCC2)c(c1NC(=S)NCCCCC)C(=O)OCC	PC-id_19650750	368.557	RPTAZULISLGDAL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092726
s1c2c(CCCCC2)c(c1NC(=S)NCCC(C)C)C(=O)OCC	PC-id_19652214	368.557	ZJSHMGQGTBPHQF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092727
s1c2c(CCCCC2)c(c1NC(=S)NC(CCC)C)C(=O)OCC	PC-id_19652367	368.557	HVVWRCSYBVVYIK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092728
s1c2c(CCCCC2)c(c1NC(=S)NC(CC)(C)C)C(=O)OCC	PC-id_19652843	368.557	CGAZKXOFEIOCIF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092729
s1c2c(CCCCC2)c(c1NC(=S)NC(CC)CC)C(=O)OCC	PC-id_19652917	368.557	MEEABLJIMIFJSX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092730
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCC)C(=O)OC	PC-id_19650744	368.557	UOPIYWAFTABJKH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092731
s1c2c(CCCCCC2)c(c1NC(=S)NCCC(C)C)C(=O)OC	PC-id_19652208	368.557	SDQAGCUKMRRILN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092732
s1c2c(CCCCCC2)c(c1NC(=S)NC(CCC)C)C(=O)OC	PC-id_19652361	368.557	FJLNVIUNANLJKQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092733
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC)(C)C)C(=O)OC	PC-id_19652836	368.557	DNHYSGVTEWGHJE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092734
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC)CC)C(=O)OC	PC-id_19652910	368.557	SMWZAQSYYSEVSM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092735
s1c2c(CCCCCC2)c(c1NC(=S)NCC(C)C)C(=O)OCC	PC-id_19650645	368.557	QMNYHXYMFVVUOI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092736
s1c2c(CCCCCC2)c(c1NC(=S)NCCCC)C(=O)OCC	PC-id_19650670	368.557	WWVDUPBKKOFBAX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092737
s1c2c(CCCCCC2)c(c1NC(=S)NC(C)(C)C)C(=O)OCC	PC-id_19651922	368.557	GXTMDFCWAYSELN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092738
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC)C)C(=O)OCC	PC-id_19652088	368.557	MPTASZSGZXGAOO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092739
s1c2c(CCCCCC2)c(c1NC(=S)N(CC)CC)C(=O)OCC	PC-id_19652970	368.557	HTTSGXJORXPBQI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092740
c1ccc(cc1)CC1(CSc2c(SC1)csc2)Cc1ccccc1	PC-id_143776866	368.578	USBDXOWKDSTXKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092741
Cc1ccccc2-c1c(c(c2)C)[Si](C)(C)c1c2-c(ccccc2C)cc1C	PC-id_88054965	368.586	PFFKUJNYFXEMAK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092742
CCCCCCCCCCCCCCCc1ccc2-c1c(OC)cccc2	SCHEMBL9875656,PC-id_19996676	368.595	BHLMJOWNXUSHOZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092743
CCCCCCCCCCCCCCCCc1ccc2-c(cc1)cc(c2)O	PC-id_102049236	368.595	OGKHWVQTAJFBOV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092744
O(CCCCCCCCCCCCC)c1c2-c(cc(C(C)C)cc1)ccc2	PC-id_56612302	368.595	RAQHTDTVFIESES-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092745
c1(C(=O)Nc2ccc(c(Cl)c2)Br)c2CCCCCc2[nH]n1	EMOLS-id_335131481,MCULE-7042793318	368.656	UXWYFJJHFPENGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092746
COCCn1nc2CCN(CCn2c1=O)C(=O)c1cc(Cl)ccc1F	MCULE-2203215511,EMOLS-id_50585925,PC-id_91910651	368.791	SVYKQEDFSIRCPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092747
CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCc2occc2C1	EMOLS-id_316929319,MCULE-9402845863,ZINC22_952847493	368.835	ARMJLSPUAQNRJY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092748
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CC1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Cl)C	PC-id_140762599	368.838	XQPDIGGBKBVGMQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092750
C[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Cl)C	SCHEMBL18353480	368.838	XQPDIGGBKBVGMQ-VIFPVBQESA-N	00000000100000101101000000000010000000000000000000000000	31-01-092751
Clc1c(NC(=O)[C@@H](Sc2n3CCCCCc3nn2)C)ccc(F)c1	PC-id_7877023	368.857	YEILRGPWSPACIT-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-092752
Clc1c(NC(=O)[C@H](Sc2n3CCCCCc3nn2)C)ccc(F)c1	PC-id_7877025	368.857	YEILRGPWSPACIT-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092753
Clc1c(NC(=O)C(Sc2n3CCCCCc3nn2)C)ccc(F)c1	PC-id_78559243	368.857	YEILRGPWSPACIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092754
CC1C=Cc2c(C(=C1)Oc1cc(C)cc(c1N=C(Cl)C)C(=N)C)cn[nH]2	PC-id_139376211	368.86	INHGKGAMFVLQLQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-092755
CC1C=Cc2c(C(=C1)Oc1cc(C)cc(c1/N=C(/Cl)C)C(=N)C)cn[nH]2	SCHEMBL21230375	368.86	INHGKGAMFVLQLQ-OZCCMMMWSA-N	00000000100000110111000000000010000000000000000000000000	31-01-092756
Clc1ccc(c2[nH]c(CCC(=O)N3CCCn4c(C3)cnc4)cc2)cc1	PC-id_56886750	368.86	QAVLTSPULWPYTP-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-092757
n1c(Cc2ccccc2)nn2CCN(Cc3cccc(O)c3Cl)CCc12	ZINC22_2356167193,EMOLS-id_337778572,MCULE-7634245093	368.86	UTLNQFIBOFWPPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092758
Clc1c2ccccc2sc1S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_318973590	368.862	RUEORBGOSNQZTL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092759
Clc1ccc(c2nc(N(Cc3n[nH]c4c3CCCCC4)C)nnc2)cc1	PC-id_25285939,CoCoCo_1333333,CoCoCo_1333334	368.863	VTRAECGKVUDBAJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092760
Clc1cccc(CN2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)c1	ZINC22_306133435	368.863	MLHIWBMFTIZDEK-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092761
Clc1cccc(CN2Cc3ccnn3C[C@H](CNc3ncccn3)C2)c1	ZINC22_306133436	368.863	MLHIWBMFTIZDEK-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092762
Clc1cccc(CN2CC(CNc3ncccn3)Cn3nccc3C2)c1	EMOLS-id_50371973	368.863	MLHIWBMFTIZDEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092763
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(Cl)s1	EMOLS-id_44447201,MCULE-7476420066,PC-id_70772658,ZINC22_82145663	368.882	KTBCDJLBBNSHHD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092764
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(Cl)s1)C2	ZINC22_219311902,PC-id_100038132	368.882	IMYJRHGYWIINCS-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092765
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(Cl)s1)C2	ZINC22_219311927,PC-id_100038134	368.882	IMYJRHGYWIINCS-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092766
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)c1ccc(Cl)s1	EMOLS-id_50531447,PC-id_90648873,MCULE-1629636890	368.882	IMYJRHGYWIINCS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092767
Clc1sc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)cc1	PC-id_7475074	368.901	MGKIFBOZMJDFQA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-092768
Brc1cn2c(c1)N(C)C(=O)C(CC2)I	SCHEMBL19224569	368.997	USJUCGNLBOHRHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092769
CCCCCCCCCC1CCCCc2c(CC1)scc2C(=O)Cl	SCHEMBL18661145	369.004	RQMUTNSLUXMPPP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092770
C1=CN(C2=C1C=CI=C=C2)CC(CC3=NNN=N3)O	PC-id_147705368	369.009	GTQZXTNFIMRHHY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-092771
Brc1c2C(CN(CCc2sc1Br)C(=O)O)C	PC-id_70886742,SCHEMBL13354787	369.073	XEYRGRCLJRJQFJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-092772
C1CCC2=C(CC1)NN=C2C(=O)OCC(=O)NC3=CC4=C(C=C3)NC(=O)N4	PC-id_154804952	369.144	XSYAPGBJCZLCDB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092773
CN1C2=CN=CN2CCC(C1=O)NC(=O)/C(=C/N(CC3=CC=CC=C3)N)/N	PC-id_147647785	369.191	GIXFRFJVAKQBLO-KAMYIIQDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092774
O=C(Nc1cc(Br)ccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102022531	369.192	QREUXYYTQPEZDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092775
O=C(Nc1ccc(c(c1)Br)F)NC1CCn2c(CC1)nnn2	EMOLS-id_101999709	369.192	LKKVDJUNMJCDKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092776
O=C(Nc1ccc(cc1Br)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102006843	369.192	OIBNYGAZWOQRBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092777
O=C(Nc1ccc(cc1F)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102025534	369.192	UZURJJJGEMRZAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092778
O=C(Nc1ccc(c(c1)F)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102027577	369.192	ZKRMOALMUZCXMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092779
O=C(Nc1cc(F)ccc1Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102003339	369.192	YLDZXMZXNFBHDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092780
c12C(=O)NCC(O)Cn1nc(C(=O)NCc1cccc(Cl)c1Cl)c2	MCULE-4063935474,EMOLS-id_82707635,PC-id_119061474	369.203	OUPZCXIYTZQLGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092781
C1C(Cn2c(cc(n2)C(=O)NCc2c(ccc(c2)Cl)Cl)C(=O)N1)O	PC-id_135089895	369.203	ROXIWRGBBDDHLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092782
C1C(Cn2c(cc(n2)C(=O)NCc2c(cc(cc2)Cl)Cl)C(=O)N1)O	PC-id_135094464	369.203	KXQUDHQCQMRJFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092783
C1C(Cn2c(cc(n2)C(=O)NCc2cc(c(cc2)Cl)Cl)C(=O)N1)O	PC-id_135120876	369.203	QOEIZPIYCPWHOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092784
O=C(NCc1cccc(Cl)c1Cl)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426412721	369.203	OUPZCXIYTZQLGL-SECBINFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092785
O=C(NCc1cccc(Cl)c1Cl)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426412722	369.203	OUPZCXIYTZQLGL-VIFPVBQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-092786
Brc1cccc(c1)C(=O)c1c(C)c(c2-c1ccccc2)C(=O)O	PC-id_139771639	369.209	FSRGIOHPPGLAAN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-092787
CCCCN1C=CC=C1C(=O)C2=C(C=C3N2CCCCC3C(=O)[O-])CCC	PC-id_152767891	369.218	VZYPDRNEAJDXEH-UHFFFAOYSA-M	00000000110000000100000000000010000000000000000000000000	31-01-092788
Brc1cc(c(Sc2n3CCCCCc3nn2)nc1)C(=O)O	PC-id_61999276	369.237	RLKPHWOGPRHFKS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092789
Brc1cc([N+](=O)[O-])c(Sc2n3CCCCCc3nn2)cc1	PC-id_51284289	369.237	MSUFOFQLUJOEEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092790
c12CN(CCCn1nc(CO)c2)C(=O)NCc1ccc(cc1Cl)Cl	MCULE-8300334066,EMOLS-id_55646374,PC-id_91775395	369.246	BFZBJROUVCURLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092791
Clc1ccc(c(c1)Cl)C(CNC(=O)C1CCn2c(CC1)nnc2)O	MCULE-4488482125,EMOLS-id_319977184	369.246	HITSNYVLROGXPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092792
Clc1cc(C(=O)NCc2n3CCCCCc3nn2)cc(Cl)c1OC	PC-id_51266370	369.246	AKSDYEDGQBQUBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092793
Clc1c(OCC(=O)NCc2n3CCCCCc3nn2)cc(Cl)cc1	PC-id_51283814	369.246	KCJONZHGOGOLKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092794
COc1cc(Cl)c(cc1NC(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101860829	369.246	LZBGWFWZMZVQNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092795
COc1c(Cl)cc(cc1Cl)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101970528	369.246	ZEOZUECIZIIMBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092796
Clc1cnc(c(c1)Cl)NCCNC(=O)C1CCn2c(CC1)nnc2	MCULE-8583903157,EMOLS-id_319948526	369.249	CAZZHSQBRPGEIG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092797
Brc1cc(C(=O)Nc2sc3CCCCCc3n2)c(F)cc1	PC-id_46696491	369.252	ZCJINLUYBDAUJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092798
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Br)cc1F	EMOLS-id_16815303,CoCoCo_4546240,MCULE-6746707673,PC-id_17545419,ZINC22_12821816	369.252	OBJXFVIUBRSCTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092799
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(F)cc1Br	EMOLS-id_16767830,MCULE-4677034810,CoCoCo_4546211,PC-id_17530963,ZINC22_12797022	369.252	CHHBLIWATVZURJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092800
O=C(Nc1nc2c(s1)CCCCC2)c1cc(F)ccc1Br	MCULE-5625055534,EMOLS-id_17215792,PC-id_24248822,ZINC22_12781625,CoCoCo_4546218	369.252	BBBCAHQXXRXZBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092801
BrC(=Cc1ccccc1)C=C(c1n2CCCCCc2nn1)C#N	PC-id_78695269	369.258	QWUMEMUTUIAPNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092802
BrC(=Cc1ccccc1)/C=C(/c1n2CCCCCc2nn1)C#N	PC-id_8429503	369.258	QWUMEMUTUIAPNB-ANRJPOMSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092803
Brc1ccc(s1)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319695621	369.28	JSLXQZUHYNLZKG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092804
Brc1ccc(s1)CN(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319760489	369.28	PYBWQUBUZLSLPO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092805
Brc1csc(c1)CN(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319748050	369.28	NMPGBZYUOLUDKA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092806
Brc1csc(c1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101723118	369.28	CXZMXEVUXSVEDW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092807
Brc1c(scc1)C(=O)NC(c1n2CCCCCc2nn1)C	PC-id_60775265	369.28	CHPVRVJASVNGHZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092808
Brc1scc(c1)CN(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319765804	369.28	ZMJNSXCVJPGTLF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092809
Brc1scc(C(=O)NC(c2n3CCCCCc3nn2)C)c1	PC-id_60743902	369.28	ACXLVGCHNRMTIG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092810
Brc1sc(C(=O)NC(c2n3CCCCCc3nn2)C)cc1	PC-id_60743904	369.28	HQGOMJCXTFYKJW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092811
O=C(N1CCCc2c(C1)cnn2C)NCc1ccsc1Br	EMOLS-id_101703518	369.28	VLUQAZPNGJJZLV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092812
O=C(N1CCCc2c(C1)cnn2C)NCc1sccc1Br	EMOLS-id_101722272	369.28	QCJXWLGQJSCGDO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092813
O=C(NCCc1nnc2n1CCCCC2)c1cc(Br)cs1	ZINC22_195006860,MCULE-3193115301,EMOLS-id_313151827	369.28	XPIJNJWFFONSMT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092814
Brc1c(Sc2n3CCCCCc3nn2)nc(NCC)nc1	PC-id_80869995	369.283	ANGHMHWUEQDNHD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-092815
CCNc1ncnc(c1Br)Sc1nnc2n1CCCCC2	PC-id_108369860	369.283	FJVJJKLKWPIWCD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-092816
c1c2-c(c(c(c2Cl)Cl)Cl)c(c(c(c1Cl)Cl)Cl)Cl	PC-id_90833108	369.286	NPHSHQBNFCGHAG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092817
Brc1ccc(c(c1)CC(c1cc2c(s1)CCCCC2)O)F	PC-id_115784915	369.292	SMLHIKCOQKXMDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092818
Brc1ccc(c(c1)F)CC(c1cc2c(s1)CCCCC2)O	PC-id_115788495	369.292	CRHFFZNFRAQDLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092819
BrC(c1sc2CCCCCc2c1)c1cc(F)c(OC)cc1	PC-id_63442625	369.292	OCDRZSKTHJOOJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092820
BrC(c1sc2c(CCCCC2)c1)c1c(F)cc(OC)cc1	PC-id_63443282	369.292	FSFKLKIDLRUSSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092821
BrC(c1sc2c(CCCCC2)c1)c1c(OC)ccc(F)c1	PC-id_63441078	369.292	OLKANLHUYDEJSN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092822
Fc1cc(Br)cc(c1)CC(c1cc2c(s1)CCCCC2)O	PC-id_115822748	369.292	KXKIBMWJEOTQHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092823
Fc1ccc(c(c1)Br)CC(c1cc2c(s1)CCCCC2)O	PC-id_115786879	369.292	FJLOCCQOZZZAQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092824
Fc1ccc(c(c1)CC(c1cc2c(s1)CCCCC2)O)Br	PC-id_115787535	369.292	PCEKJDWZKSRNNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092825
OC(c1cc2c(s1)CCCCC2)Cc1ccc(c(c1)Br)F	PC-id_115779662	369.292	IRRRGAIBMXUVPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092826
OC(c1cc2c(s1)CCCCC2)Cc1cccc(c1Br)F	PC-id_115826475	369.292	ZSUDFTXOQMJBHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092827
Brc1cc(Cc2cc3-c(c2)ccccc3)ccc1OCCCC	PC-id_71148855,SCHEMBL14351034	369.295	SMIVKFUOSPUZTA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-092828
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1cc(c(c(c1)F)F)F	PC-id_86346060,SCHEMBL16103128	369.295	LHSJDBUCXPSOMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092829
NNC(c1cc(Br)ccc1F)c1cc2c(s1)CCCCC2	PC-id_105323065	369.295	KTULVPJWLPRBSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092830
Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCCc2ncsc12	PC-id_78318713,SCHEMBL15903325,BindingDB_PC-id_78318713,BindingDB-id_412955	369.309	TVFHRAFZEAVYBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092832
Clc1cc(C=CCN2CCc3sc(nc3CC2)N)cc(Cl)c1N	PC-id_53946481	369.312	JBKCQXNPQVTHJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092833
Clc1cc(/C=C/CN2CCc3sc(nc3CC2)N)cc(Cl)c1N	SCHEMBL7295759,PC-id_19985701	369.312	JBKCQXNPQVTHJH-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092834
Brc1cnn(c1C(c1cc2c(s1)CCCCC2)O)C(C)C	PC-id_115835411	369.32	YEOQOAABWOJPSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092835
CCCn1ncc(c1C(c1cc2c(s1)CCCCC2)O)Br	PC-id_115835063	369.32	MAQSZKPYPQXNQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092836
OC(c1cc2c(s1)CCCCC2)Cc1n(C)nc(c1Br)C	PC-id_115814513	369.32	BYVTXUJZDKUJED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092837
Brc1c(scc1)C(NC(c1n2CCCCCc2nn1)C)C	PC-id_43791295	369.323	DZPJCYKJKXOXQQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092838
Brc1csc(c1)C(NC(c1nnc2n1CCCCC2)C)C	PC-id_107167228	369.323	ZHBGWHXXAGSPNL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092839
Brc1sc(C(NC(c2n3CCCCCc3nn2)C)C)cc1	PC-id_61000429	369.323	BMZVCYLDPRLVFH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092840
Cc1sc(cc1Br)CNC(c1nnc2n1CCCCC2)C	PC-id_102833960	369.323	VIIKGYFUAHUHRB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-092841
CCn1ncc(c1C(c1cc2c(s1)CCCCC2)NN)Br	PC-id_105336075	369.323	RCTWWXZKCFRGHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092842
CCNC(c1c(Br)nnn1C)c1cc2c(s1)CCCCC2	PC-id_106465332	369.323	KBVBGGKQIXVLHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092843
CNCC(=O)Nn1cc2c(c1C(=O)c1ccccc1)OC(=O)C=CC(=O)O2	PC-id_145804892	369.328	CICSRYLDRXTFRL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-092844
CN1C(=O)[C@H](COc2c1non2)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19037411	369.335	JGIFLLFLZTYMFU-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-092845
O=C(C(C(C(F)(F)F)(c1ccccc1)O)O)N1CCCc2c(C1)cco2	EMOLS-id_316568142,MCULE-2577566783	369.335	JSYQBZJFSDYUEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092846
c12C(CCCCn1nnn2)C(=O)NCCc1ccccc1OC(F)(F)F	MCULE-6360685491,EMOLS-id_49652012,PC-id_74236519	369.342	HFFUSIIWECNZNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092847
c1(ccc(=O)n(CC(=O)NCc2cc3n(CCCNC3)n2)c1)C(F)(F)F	PC-id_70737551,ZINC22_82108900,EMOLS-id_44435025,MCULE-5706467851	369.342	UGNKVSPVBPOKCG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092848
FC(F)(F)CNC(=O)C1CCc2nn(Cc3ccncc3)c(=O)n2CC1	EMOLS-id_207877113,MCULE-2684274037	369.342	GBQQQPGYHCHYMK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092849
O=C(C1CCn2c(CC1)nnc2)NCc1cccc(n1)OCC(F)(F)F	EMOLS-id_316708256	369.342	MBQPEIRNYCXFLK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092850
O=C(NCc1nnc2n1CCCCC2)c1ccc(OCC(F)(F)F)nc1	ZINC22_40043364,PC-id_45866987,MCULE-9733770915,EMOLS-id_30244746	369.342	CMZRICYENIVPPL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092851
OCCOCCn1nnc(c1)COCC1(C)COc2c(OC1)csc2	PC-id_102481112	369.436	ODFUUZGYTWBJSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093048
O=C(NCCc1ccccc1OC(F)(F)F)[C@@H]1CCCCn2nnnc12	PC-id_97899748,ZINC22_97499452	369.342	HFFUSIIWECNZNU-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092852
O=C(NCCc1ccccc1OC(F)(F)F)[C@H]1CCCCn2nnnc12	ZINC22_97499453,PC-id_97899749	369.342	HFFUSIIWECNZNU-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092853
O/C(=N/CCc1nnc2n1CCCCC2)/Nc1ccc(C(F)(F)F)nn1	ZINC22_330083425,EMOLS-id_100444188,MCULE-8558734828	369.345	BKTWYHKUAAVAHL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-092854
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cc(ccc1F)C	PC-id_19523665	369.357	PYOUEYYPBSDECU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092855
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCc1ccc(F)cc1	PC-id_19527303	369.357	BULAHJFWYJIGLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092856
c1(NC(=O)c2ccc(c(F)c2F)F)sc2c(CCCCC2)c1C(=O)O	EMOLS-id_179129766,PC-id_28860522,MCULE-3984127307	369.358	XZHXPPYEHOLTRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-092857
COc1cc2-c(c1/C=C/C=C/C=NS(=O)(=O)C(F)(F)F)ccccc2	PC-id_101760922	369.358	BQFIUNSNCJOEOJ-PNKXZVIOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092858
COc1ccc2-c(cc1)ccc2/C=C/C=C/C=NS(=O)(=O)C(F)(F)F	PC-id_102381431	369.358	GWLHISJBQKKZJY-RPXOTYCTSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092859
CC(C)(C)OC(=O)N1CCS(=O)(=O)c2c(C1)c(nn2C)C(F)(F)F	PC-id_136589832,EMOLS-id_316183411	369.36	KHKDMHGYFQRAND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092860
O=C(N1CCc2c(CC1)cnn2S(=O)(=O)C(F)(F)F)OC(C)(C)C	PC-id_141114057	369.36	BLCVOTAWTBHZDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092861
OC(=O)CCc1cc2CN(CCCn2n1)S(=O)(=O)CCC(F)(F)F	ZINC22_72421805,MCULE-9977767590,EMOLS-id_43100849,PC-id_70730304	369.36	HHJLBEUPEZTWBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092862
c12C(=O)NCCCc1nc(NC(=O)Cc1cccc(c1)C(F)(F)F)s2	ZINC22_211130837,EMOLS-id_50139251,MCULE-2070536157,PC-id_72720021	369.361	ASJLOTRPPQROAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092863
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Cc1ccc(cc1)C(F)(F)F	PC-id_90625504	369.361	UZNPDJKXOCROIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092864
CCOC(=O)Cn1c(C(=O)OCC)c2c(c1C(=O)OCC)OCCCO2	PC-id_57738866,SCHEMBL3247765	369.366	ALCYPGYPHYCFCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092865
o1c2CN(CCN(CCN(Cc1cc2)CC(=O)O)CC(=O)O)CC(=O)O	SCHEMBL9213081,PC-id_15069680	369.37	QSJZPSOBKBBSJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092866
C1CCc2c(CC1)n([nH]c2=O)C(=O)CCc1nc(no1)c1ncc(cc1)O	PC-id_135914607,SCHEMBL13225482	369.375	AZJYWUKBGSLJAG-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-092867
O(c1cc(C=C(c2n3CCCCCc3nn2)C#N)c([N+](=O)[O-])cc1OC)C	PC-id_78650354	369.375	FHDDIUKVUOVVQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092868
O(c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)c([N+](=O)[O-])cc1OC)C	PC-id_8275422	369.375	FHDDIUKVUOVVQV-MDWZMJQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-092869
O=c1[nH]n(c2CCCCCc12)C(=O)CCC1=N/C(=C/2N=CC(=O)C=C2)/NO1	PC-id_25025250	369.375	XBAVGYYFNFGFKA-GHRIWEEISA-N	00000011100011000101100000000010000000000000000000000000	31-01-092870
O=c1[nH]n(c2CCCCCc12)C(=O)CCC1=NC(=C2N=CC(=O)C=C2)NO1	PC-id_70861243	369.375	XBAVGYYFNFGFKA-UHFFFAOYSA-N	00000011100011000101100000000010000000000000000000000000	31-01-092871
c12nc(C)cc(C)n1nc(CC(=O)N1CCCn3c(cc(n3)C(=O)O)C1)n2	PC-id_50954331,MCULE-3313476836,EMOLS-id_32379916,ZINC22_65382278	369.378	OEAZKDVIGGGCHX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092872
c1(C(=O)NCc2c(C)non2)cn2c(CCN(CC2)C(=O)c2cc[nH]c2)n1	ZINC22_1875241481,MCULE-9613955852,EMOLS-id_331097868	369.378	SMMWLQNXQHLGLO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-092873
Cn1nnc2cc(cnc12)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	MCULE-5094808156,ZINC22_72407610,PC-id_56887020,EMOLS-id_43077331	369.378	GOSNVSGLOXAOBO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092874
CC=C(C=CC(=C)CN1CCCn2cc(cc2C1)C(=O)NO)C(F)(F)F	PC-id_88898831	369.381	HKYCCRZWYOLSOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092875
C/C=C(/C(F)(F)F)C=C/C(=C)CN1CCCn2c(C1)cc(c2)C(=O)NO	SCHEMBL12283039	369.381	HKYCCRZWYOLSOP-MUHLJPMNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092876
COc1cnc(C(=O)N2CCCn3nnc(Cn4nncc4C)c3C2)nc1	EMOLS-id_313730009,ZINC22_1565555429	369.381	HYJJVIWKJJCZNO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-092877
n12CCCCCc1nnc2CNC(=O)c1cnc(nc1O)Cn1cncn1	PC-id_70760422,ZINC22_91770581,EMOLS-id_44732122,MCULE-3184166378	369.381	AOQLZEFJTMJWJW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-092878
O=C(NCc1n2CCCCCc2nn1)C1C(=O)N=C(N=C1)Cn1ncnc1	PC-id_78083592	369.381	OICLXORFVGDSNH-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-092879
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(n(nc1)CC)C	PC-id_19523791	369.385	GJEKMFQPQJTLSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092880
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCc1c(n(nc1)C)C	PC-id_19523625	369.385	UWXSEFGWWOBZQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092881
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCc1c(nn(c1)C)C	PC-id_19523643	369.385	GNIATFWQAFDFSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092882
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCc1cn(nc1)CC	PC-id_19523655	369.385	DAZZYAXVJYUELY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092883
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCc1nn(cc1)CC	PC-id_19523775	369.385	AGPLLEYIOHDCRE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092884
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N(Cc1n(ncc1)C)C	PC-id_19531190	369.385	JSDNHQLKOJEQPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092885
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCCn1nccc1	PC-id_19523861	369.385	ZMADOAAUUVUPBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092886
CC1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353353	369.386	ZSAHMEKRONSOOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092887
CC1CCOc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL21337255,PC-id_139471256	369.386	UVZNRBCXTMTAAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092888
CC1NS(=O)c2c(OC1C)c(n(c2)C)C(=O)Nc1ccc(c(c1)F)F	SCHEMBL21337224,PC-id_139471226	369.386	ZETTXVQYKVYOEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092889
CC[C@H]1COc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	PC-id_139471005,SCHEMBL21337000	369.386	FUQLEJNYOQHLJP-FEOHOUMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092890
C[C@H]1NS(=O)c2c(O[C@H]1C)c(n(c2)C)C(=O)Nc1ccc(c(c1)F)F	SCHEMBL21337138,PC-id_139471145	369.386	ZETTXVQYKVYOEF-PQSPXCCYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092891
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(F)c(F)c1	PC-id_53182936,EMOLS-id_33087324,MCULE-5230035814	369.386	ZXPIEAGFFVDRGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092892
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cc(F)cc(F)c1	MCULE-3810490223,EMOLS-id_33087356,PC-id_53182944	369.386	UAWSEDQPFSYIJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092893
Cc1cc(F)ccc1c1ccc(CN2Cc3ccnn3C[C@@H](C(=O)O)C2)o1	ZINC22_1875323972	369.39	FMPVAPLDKFDEPF-AWEZNQCLSA-N	00000000101000110101100000000010000000000000000000000000	31-01-092894
Cc1cc(F)ccc1c1ccc(CN2Cc3ccnn3C[C@H](C(=O)O)C2)o1	ZINC22_1875323973	369.39	FMPVAPLDKFDEPF-CQSZACIVSA-N	00000000101000110101100000000010000000000000000000000000	31-01-092895
Fc1cccnc1OCCC1CN(Cc2cccn2C1)C(=O)c1ccco1	EMOLS-id_313747380	369.39	ORDQFWQBDFQUQV-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-092896
Fc1cccnc1OCCC1CN(Cc2cccn2C1)C(=O)c1ccoc1	EMOLS-id_313835556	369.39	QSFYIOMDNWJKCW-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-092897
O=C(c1ccco1)N1Cc2cccn2C[C@H](CCOc2ncccc2F)C1	ZINC22_585095305	369.39	ORDQFWQBDFQUQV-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-092898
O=C(c1ccco1)N1Cc2cccn2C[C@@H](CCOc2ncccc2F)C1	ZINC22_585095306	369.39	ORDQFWQBDFQUQV-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-092899
O=C(c1ccoc1)N1Cc2cccn2C[C@H](CCOc2ncccc2F)C1	ZINC22_585095442	369.39	QSFYIOMDNWJKCW-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-092900
O=C(c1ccoc1)N1Cc2cccn2C[C@@H](CCOc2ncccc2F)C1	ZINC22_585095443	369.39	QSFYIOMDNWJKCW-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-092901
OC(=O)C1CN(Cc2ccc(o2)c2ccc(cc2C)F)Cc2n(C1)ncc2	PC-id_146146645	369.39	FMPVAPLDKFDEPF-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-092902
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)c3cccc(F)c3)C2)n1	MCULE-9836242185,PC-id_91764666,EMOLS-id_55615815	369.393	PWFXIABEEADTGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092903
CC1(C)Cc2n[nH]cc2CN(C(=O)Nc2cc(c3ccccc3F)on2)C1	ZINC22_663182636,MCULE-6797730748,EMOLS-id_316875756	369.393	NMJHLHSOTOJPTM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092904
Fc1cccc(c1)Cc1noc(n1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318329217	369.393	RCASQGLBNKQWKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092905
Fc1cccc(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](c1ccnn1C)O	PC-id_100023930	369.393	PWFXIABEEADTGQ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092906
Fc1cccc(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@H](c1ccnn1C)O	PC-id_100023932	369.393	PWFXIABEEADTGQ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092907
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)Cc1cocc1	PC-id_42324496,CoCoCo_1249635,CoCoCo_1249636,ChEMBL-DNDi_CHEMBL24964850	369.393	MOLDGNVVTUNIRD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-092908
O=C(c1ccccc1)C[n+]1ccncc1C(=O)Oc1cc2-c(c1)ccccc2	PC-id_139735849	369.393	MNOXLUWLYUWUGB-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-092909
O=C(c1ncc[n+](c1)CC(=O)c1ccccc1)Oc1cc2-c(c1)ccccc2	PC-id_139738167	369.393	GYUDMHLOTTZEPN-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-092910
c12nnnn1CCCCC2C(=O)N(C)Cc1c[nH]nc1c1ccc(cc1)F	MCULE-2862403180,EMOLS-id_49653552,PC-id_74237274	369.396	OQLNLVYUCXQCJQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092911
c12nnnn1CCCCC2C(=O)N(C)Cc1cnn(c2ccc(cc2)F)c1	MCULE-3017609725,PC-id_118785129,EMOLS-id_68920477	369.396	HTQRKLALDCOMNE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092912
c1(cn(C)c(=O)n(C)c1=O)S(=O)(=O)N1CCCn2nc(CO)cc2C1	EMOLS-id_55691087,PC-id_91790760,MCULE-2501782916	369.396	CBWFZBIOAIKWAK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-092913
c1(C(=O)NCc2nnc3CCCCCn23)cn(nn1)Cc1ccc(cc1)F	MCULE-2397728452,EMOLS-id_43057658,ZINC22_72121843,PC-id_56882191	369.396	OCCKMPVVSPQOQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092914
Cc1cnnn1Cc1ncn2c1CN(C(=O)Cc1ccc(F)cn1)CCC2	EMOLS-id_313731036,ZINC22_1565548245	369.396	VZNWQTZKSHXBPL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092915
CC[C@@H](O)c1cc2n(n1)CCCN(S(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C2	PC-id_100329212,ZINC22_223897871	369.396	ICAWJIZXHKJROQ-LLVKDONJSA-N	00000000100000100101000000000010000000000000000000000000	31-01-092916
CC[C@H](O)c1cc2n(n1)CCCN(S(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C2	PC-id_100329224,ZINC22_223897918	369.396	ICAWJIZXHKJROQ-NSHDSACASA-N	00000000100000100101000000000010000000000000000000000000	31-01-092917
CCC(O)c1cc2CN(CCCn2n1)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O	EMOLS-id_55711588,MCULE-8233029441,PC-id_91797703	369.396	ICAWJIZXHKJROQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-092918
CN(Cc1c[nH]nc1c1ccc(F)cc1)C(=O)[C@@H]1CCCCn2nnnc12	PC-id_97901786,ZINC22_97515128	369.396	OQLNLVYUCXQCJQ-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092919
CN(Cc1c[nH]nc1c1ccc(F)cc1)C(=O)[C@H]1CCCCn2nnnc12	PC-id_97901787,ZINC22_97515129	369.396	OQLNLVYUCXQCJQ-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092920
CN(Cc1cnn(c2ccc(F)cc2)c1)C(=O)[C@H]1CCCCn2nnnc12	ZINC22_299776880	369.396	HTQRKLALDCOMNE-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092921
CN(Cc1cnn(c2ccc(F)cc2)c1)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_299776884	369.396	HTQRKLALDCOMNE-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092922
Fc1ccc(cc1)c1nnn(CC(=O)NCc2n[nH]c3CCCCCc23)n1	PC-id_91796980,ZINC22_223828520,EMOLS-id_55709368,MCULE-6577257244	369.396	UUIKKJGHKZMNFX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092923
Fc1ccc(n2nc(nc2C)C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266389	369.396	RYXOGTAWPOMHKO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-092924
CCn1nc(c2c1CCCNC2CCc1ccc(cc1F)C(F)(F)F)C	PC-id_68528835,SCHEMBL3147391	369.4	HQAABXGCLPCCOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092925
NC(=O)c1cn2CCN(CCc2n1)C(=O)c1csc(n1)c1ncccn1	ZINC22_1875247841,EMOLS-id_331144988	369.401	QMIHKBPPRMJCMG-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-092926
O=C(Nc1ccccc1)C1CN(Cc2ncnn2C1)C(=O)c1csnn1	EMOLS-id_313724630	369.401	GUNMUBNAKIKZCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092927
O=C(Nc1ccccc1)[C@@H]1CN(C(=O)c2csnn2)Cc2ncnn2C1	ZINC22_1565545468	369.401	GUNMUBNAKIKZCB-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092928
O=C(Nc1ccccc1)[C@H]1CN(C(=O)c2csnn2)Cc2ncnn2C1	ZINC22_1614927938	369.401	GUNMUBNAKIKZCB-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-092929
O=C(Nc1cccnc1)c1ncn2c1CN(C(=O)c1csnn1)CCC2	EMOLS-id_313786682,ZINC22_1565546952	369.401	BZJHOTFSEGSXJR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092930
CCCCCn1nc2c(c1OS(=O)(=O)C(F)(F)F)CC(NCC2)C	PC-id_141174204	369.403	SXDVSKQLQCUIGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-092931
c1(NC(=O)Nc2cccc(c2)C(F)(F)F)sc2c(CCCCCC2)n1	CoCoCo_2552441,EMOLS-id_16329902,PC-id_20966657,MCULE-1684302124	369.405	CMDJXMPUOKSYTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092932
CN(C(=O)c1cc2c(s1)CCCCCC2)c1ccc(C(F)(F)F)nn1	PC-id_121580710,EMOLS-id_76046768,MCULE-5009165369,ZINC22_242339085	369.405	ZETWMVFTPQXJGE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-092933
s1c2CCCCCCc2nc1NC(=O)c1c(nc(cc1)C(F)(F)F)C	PC-id_56021466	369.405	YMSHTUYQCAPFEB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-092934
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccccc1SC(F)F	PC-id_90625495	369.409	BAOOFMZDFCHNJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092935
Cc1ccc(F)cc1S(=O)(=O)N1CCCn2nc(cc2C1)C(O)CO	EMOLS-id_55659210,PC-id_91779785,MCULE-9090934515	369.411	OVZLHXZOBXTALD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092936
Cc1ccc(F)cc1S(=O)(=O)N1CCCn2nc([C@H](O)CO)cc2C1	PC-id_100061186,ZINC22_220576439	369.411	OVZLHXZOBXTALD-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092937
Cc1ccc(F)cc1S(=O)(=O)N1CCCn2nc([C@@H](O)CO)cc2C1	ZINC22_220576370,PC-id_100061184	369.411	OVZLHXZOBXTALD-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092938
O(C(=O)C(C)(C)C)c1c2-c(c(cccc2)/C=C(NC(=O)C)/C(=O)OC)cc1	PC-id_11440092	369.411	DKLJLJIPQFPRCJ-ATVHPVEESA-N	00000010100000000110000000000010000000000000000000000000	31-01-092939
O(C(=O)C(C)(C)C)c1c2-c(c(cccc2)/C=C(/NC(=O)C)C(=O)OC)cc1	PC-id_11773067	369.411	DKLJLJIPQFPRCJ-SFQUDFHCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092940
O(C(=O)C(C)(C)C)c1c2-c(c(cccc2)C=C(NC(=O)C)C(=O)OC)cc1	PC-id_72962249	369.411	DKLJLJIPQFPRCJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092941
O=C(ON1C(=O)CCC1=O)OCCc1ccc(cc2-c1ccc2C)C(C)C	PC-id_102167678	369.411	AYQCKDPYNCNCDF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-092942
COc1cc(ccc1N1CCCC1=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100946397	369.414	YSPYVEDLNFOISR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-092943
COc1ccccc1N1CCC(C1=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100993627	369.414	SIKXEONERPVZAY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-092944
COCC(=O)N1CCc2c1cccc2NC(=O)c1noc2c1CCCCC2	EMOLS-id_100151207	369.414	LJJNLNNTHAJYNO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092945
Oc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111934282	369.414	QAXFDKYKRPPJAZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092946
Oc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111934345	369.414	OSCXGUWPCWUOMZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092947
O=C(c1noc2c1CCCCC2)N1CCN(CC1)C(=O)c1ccccc1O	EMOLS-id_111934300	369.414	BICKJEANEWOXPT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092948
O=C(Cc1ccc2c(c1)OCO2)N1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC22_247848069	369.414	HQGNPPPEFUDVGK-KRWDZBQOSA-N	00100010100000100101000000001010000000000000000000000000	31-01-092949
O=C(Cc1ccc2c(c1)OCO2)N1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC22_247848070	369.414	HQGNPPPEFUDVGK-QGZVFWFLSA-N	00100010100000100101000000001010000000000000000000000000	31-01-092950
O=C(Cc1ccc2OCOc2c1)N1CC(Cn2nccc2C1)OCC1CC1	EMOLS-id_50020490	369.414	HQGNPPPEFUDVGK-UHFFFAOYSA-N	00100010100000100101000000001010000000000000000000000000	31-01-092951
c12CN(CCCn1nc(CNC(=O)Nc1ccc(cc1)C(=O)C)c2)C(=O)C	MCULE-8075152860,EMOLS-id_44425807,PC-id_70711322,ZINC22_82091674	369.418	FTPDCCGTFWHWPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092952
c12C(=O)NCC(O)Cn1nc(C(=O)NCCCN1CCc3ccccc13)c2	MCULE-3065550454,PC-id_121512186,EMOLS-id_177499198	369.418	BSOXBSGPYAMBEQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092953
c1(cc(oc1C)C)C(=O)N1CCCn2c(cc(n2)C(O)c2ccnn2C)C1	MCULE-3517724105,PC-id_91764144,EMOLS-id_55614365	369.418	FAASMXDXLSNIKN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-092954
c1(C(=O)NC2CC2)cc2n(CCCN(C2)C(=O)c2cccnc2OCC)n1	MCULE-9939651187,ZINC22_65432610,EMOLS-id_32411482,PC-id_50971037	369.418	JYRZJCRMTVYPDS-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-092955
c1(C(=O)NC2CC2)cc2n(CCCN(C2)C(=O)Nc2ccccc2OC)n1	PC-id_50960181,MCULE-9602331761,EMOLS-id_32391026,ZINC22_65396276	369.418	AEMNTUVVTXNKPV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-092956
c1(C(=O)NC2CCC2)cn2c(CCN(CC2)C(=O)c2ccc(=O)n(C)c2)n1	MCULE-7743630056,ZINC22_1875245805,EMOLS-id_331128367	369.418	SDFRFZWFGOQSNT-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-092957
c1(C(=O)NC2CCCC=C2)cn2c(CCN(CC2)C(=O)c2c(C)ocn2)n1	MCULE-9822871208,EMOLS-id_331118112	369.418	HRWZMADXJBKAAE-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-092958
c1([nH]nc(c2ccc(C)o2)c1)C(=O)N1CCCn2c(cc(n2)C(CC)O)C1	EMOLS-id_50531587,PC-id_90648909,MCULE-3414865807	369.418	INJQYVPJHGBYAY-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-092959
c1(=O)oc2c(ccc(c2)NC(=O)N(C)Cc2c3CCCCCc3[nH]n2)n1C	EMOLS-id_48632000,PC-id_72872550,ZINC22_95507809,MCULE-5871156064	369.418	YNSCNINSCSUYPI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092960
Cc1cc(C(=O)N2CCc3nn(C)c(=O)n3CC2)c(C)n1Cc1ccco1	MCULE-6166675417,EMOLS-id_50589943,PC-id_91922399	369.418	WAYXALPSXCGNOL-UHFFFAOYSA-N	00000000111000000101000000000010000000000000000000000000	31-01-092961
Cc1cc(C(=O)NC2CCc3n[nH]c(=O)n3CC2)c(C)n1Cc1ccco1	EMOLS-id_50586019,PC-id_91922660	369.418	MPGMJKQYPKEURM-UHFFFAOYSA-N	00000000111000000101000000000010000000000000000000000000	31-01-092962
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCc4occc4C3)CC2)o1	ZINC22_377522769,MCULE-9031401457,EMOLS-id_316191503	369.418	GIANQHBMRGGTPS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-092963
Cc1oc(c(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@H](c1ccnn1C)O)C	PC-id_100021805	369.418	FAASMXDXLSNIKN-GOSISDBHSA-N	00000000101000000101000000000010000000000000000000000000	31-01-092964
Cc1oc(c(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](c1ccnn1C)O)C	PC-id_100021808	369.418	FAASMXDXLSNIKN-SFHVURJKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-092965
Cc1ocnc1C(=O)N1CCc2nc(C(=O)N[C@H]3C=CCCC3)cn2CC1	ZINC22_1875246451	369.418	HRWZMADXJBKAAE-AWEZNQCLSA-N	00000000100011000101000000000010000000000000000000000000	31-01-092966
Cc1ocnc1C(=O)N1CCc2nc(C(=O)N[C@@H]3C=CCCC3)cn2CC1	ZINC22_1875246452	369.418	HRWZMADXJBKAAE-CQSZACIVSA-N	00000000100011000101000000000010000000000000000000000000	31-01-092967
CC[C@@]1(C)OCc2c1cc(nc2)C(=O)NC1CCn2c(N(C1=O)C)cnc2	SCHEMBL18366565	369.418	LHNLAOPWXCRDNI-JANGERMGSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092968
CC[C@@]1(C)OCc2c1cc(nc2)C(=O)NC1CCn2c(N(C1=O)C)ncc2	SCHEMBL18366451	369.418	QWWVVODRDPCZHY-JANGERMGSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092969
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(c3ccc(C)o3)n[nH]1)C2	PC-id_100038792,ZINC22_219325465	369.418	INJQYVPJHGBYAY-KRWDZBQOSA-N	00000000101000000101100000000010000000000000000000000000	31-01-092970
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(c3ccc(C)o3)n[nH]1)C2	ZINC22_219325440,PC-id_100038790	369.418	INJQYVPJHGBYAY-QGZVFWFLSA-N	00000000101000000101100000000010000000000000000000000000	31-01-092971
CC(=O)N1CCc2cc(NC(=O)Cn3nc4n(c3=O)CCCCC4)ccc12	CoCoCo_4560116,MCULE-8041630451,PC-id_25529033,ZINC22_12810830,EMOLS-id_18843588	369.418	WSMOIXRAFVHICL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092972
[C@H]1(C(=O)NCc2c3CCCCCc3[nH]n2)OCC(=O)N[C@@H]1c1cccnc1	EMOLS-id_316174546,MCULE-5446551035,ZINC22_1529151171,PC-id_134703842	369.418	HDOBNLIQQHFFRW-MSOLQXFVSA-N	00000000100010101101100000000010000000000000000000000000	31-01-092973
Cn1c(cccc1=O)C(=O)N1CCCn2ncc(C(=O)N3CCCC3)c2C1	ZINC22_1565549633,EMOLS-id_313773771	369.418	XCUSRKGILGRHAK-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-092974
Cn1cccc(C(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)c1=O	ZINC22_1565544889,EMOLS-id_313773259	369.418	ACRJKEBBPKJZRX-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-092975
COc1ccc2cc([nH]c2c1)C(=O)N(C)C1CCc2nn(C)c(=O)n2CC1	PC-id_91910866,MCULE-7195607310,EMOLS-id_50586177	369.418	IQWWUWQNQAETEH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-092976
COc1ccc(c(c1)C(=O)NC1CC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278133229	369.418	USNWOPPPWCTJOQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-092977
COCCn1nc2CCN(CCn2c1=O)C(=O)Cc1c[nH]c2ccccc12	PC-id_91922421,EMOLS-id_50589977	369.418	YLCIPWVPHBDLQE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-092978
n12CCC(CCc1nnc2C)NC(=O)c1ccc(Cc2c(C)noc2C)o1	EMOLS-id_50590211,MCULE-7090115685,PC-id_91922574	369.418	HABPNDKJYAUDEZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-092979
N#CCCCOc1cccc(c1)NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_87026615	369.418	JXSFITNGHRMQMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092980
o1c2c(n(CCCC(=O)NCc3n4CCCCCc4nn3)c1=O)cccc2	PC-id_51266304	369.418	YSTMAFWZNXXXOZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092981
o1c2c(n(CCC(=O)NCCc3n4CCCCCc4nn3)c1=O)cccc2	PC-id_55535455	369.418	XZAWYJMZNKZKKH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-092982
OC1CC(C1)C(=O)N1CC(Cn2ncnc2C1)C(=O)NCc1ccccc1	EMOLS-id_313721048	369.418	FURTXGRSHMRQND-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-092983
OC1(CC(=O)N2CC(Cn3ncnc3C2)C(=O)Nc2ccccc2)CCC1	EMOLS-id_313724374	369.418	NKFCWJCFBHETCC-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-092984
O=C1[C@H](CCn2c(N1C)c(C)c(n2)C)NC(=O)c1ncc2c(c1)[C@H](C)OC2	PC-id_145225390	369.418	FFDWNLBRRVSRMI-WFASDCNBSA-N	00000010100000100101000000001010000000000000000000000000	31-01-092985
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCC)Cc1ccccc1	PC-id_46049881	369.418	LSLULNASCLAASL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-092986
O=C1N(CC(NC(=O)c2nn3c(CNCCC3)c2)C1)c1c(OC)cccc1	PC-id_50976432	369.418	DBWKXJMSJHNXMS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-092987
O=c1n(c(=O)n(c(=O)c2nc(n(c12)Cc1ccccc1)N(CC)CC)C)C	PC-id_23967018	369.418	BSBMEFINGNSZPP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-092988
O=C(c1cc(C2CC2)on1)N1CCCn2ncc(C(=O)N3CCCC3)c2C1	ZINC22_1565545315,EMOLS-id_313773515	369.418	FIUGXOBNDZAKRZ-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-092989
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)C(=O)N1CCOCC1	EMOLS-id_316478599	369.418	PPZTYUARGFBBQD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-092990
O=C(Cn1ccccc1=O)N1CCCn2ncc(C(=O)N3CCCC3)c2C1	EMOLS-id_313774027,ZINC22_1565545744	369.418	NMKSWFXLWYCVLZ-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-092991
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cccc(C(=O)NC2CC2)c1	CoCoCo_4447345,ZINC22_29326215,MCULE-3457130071,PC-id_36513848,EMOLS-id_24034435	369.418	LLTMYWKNMSBGTO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-092992
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(N2CCCC2=O)cc1	MCULE-4234764425,EMOLS-id_13503916,ZINC22_14141689,CoCoCo_4560114,PC-id_17453832	369.418	OMMGNIVNDVCOTJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-092993
O=C(N1CCCn2c(C1)cc(n2)CNC(=O)c1ccc[nH]c1=O)C1CCC1	PC-id_102602863	369.418	NYUWCHLDLPNYBS-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-092994
O=C(N1CCCn2c(C1)cc(n2)CNC(=O)c1ncccc1O)C1CCC1	PC-id_102602785	369.418	XZYOUWIPQPSFNL-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-092995
O=C(Nc1ccccc1)[C@@H]1CN(C(=O)CC2(O)CCC2)Cc2ncnn2C1	ZINC22_1565545891	369.418	NKFCWJCFBHETCC-CQSZACIVSA-N	00001000100000110101000000000010000000000000000000000000	31-01-092996
O=C(Nc1ccccc1)[C@H]1CN(C(=O)CC2(O)CCC2)Cc2ncnn2C1	ZINC22_1614928405	369.418	NKFCWJCFBHETCC-AWEZNQCLSA-N	00001000100000110101000000000010000000000000000000000000	31-01-092997
O=C(NCc1ccccc1)C1CN(Cc2ncnn2C1)C(=O)C1CCOC1	EMOLS-id_313724631	369.418	GNUIHWJGDYSBTK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-092998
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)C2CC(O)C2)Cc2ncnn2C1	ZINC22_1565548590	369.418	FURTXGRSHMRQND-HWOWSKLDSA-N	00001000100000110101000000000010000000000000000000000000	31-01-092999
O=C(NCc1ccccc1)[C@H]1CN(C(=O)C2CC(O)C2)Cc2ncnn2C1	ZINC22_1614931845	369.418	FURTXGRSHMRQND-PCKAHOCUSA-N	00001000100000110101000000000010000000000000000000000000	31-01-093000
O=C(NCc1ccccc1)[C@H]1CN(C(=O)[C@@H]2CCOC2)Cc2ncnn2C1	ZINC22_1565546548	369.418	GNUIHWJGDYSBTK-CVEARBPZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093001
O=C(NCc1ccccc1)[C@H]1CN(C(=O)[C@H]2CCOC2)Cc2ncnn2C1	ZINC22_1565546549	369.418	GNUIHWJGDYSBTK-HOTGVXAUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093002
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)[C@@H]2CCOC2)Cc2ncnn2C1	ZINC22_1565546550	369.418	GNUIHWJGDYSBTK-HZPDHXFCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093003
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)[C@H]2CCOC2)Cc2ncnn2C1	ZINC22_1565546551	369.418	GNUIHWJGDYSBTK-JKSUJKDBSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093004
O=C(NCCCN1CCc2ccccc12)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426697255	369.418	BSOXBSGPYAMBEQ-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093005
O=C(NCCCN1CCc2ccccc12)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426697256	369.418	BSOXBSGPYAMBEQ-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093006
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1n[nH]c2CCCCCc12	EMOLS-id_334799437,MCULE-7224626722	369.418	XQXVOJNRNNACMA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093007
O=c1c2n(nc(c2cccc1)C)CNc1ccc(/N=N/c2ccccc2)cc1	PC-id_10248521	369.419	ACLDHSGCOFXIKP-OCOZRVBESA-N	00000000100000110111000000000010000000000000000000000000	31-01-093008
c12CN(CCCn1nc(CNc1ccnc(OC)c1C#N)c2)C(=O)N(C)C	MCULE-5229212862,PC-id_70781777,ZINC22_82160423,EMOLS-id_44450367	369.421	MWQADIDLOBEEKK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093009
c1(NC(=O)C2CCCCn3nnnc23)c2c(cccc2n(C)n1)OC(C)C	EMOLS-id_43596597,PC-id_70773120,MCULE-7277817786	369.421	SKEMSLWCXXBKRA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093010
Cc1cc(O)n2c(n1)nc(n2)CC(=O)N(Cc1n[nH]c2c1CCCCC2)C	EMOLS-id_49868698,MCULE-5362219657	369.421	UPZDGBZOJMVPNT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093011
Cc1cn(nc1)Cc1c(onc1C(=O)NC1CCc2nnc(n2CC1)C)C	PC-id_91922576	369.421	GRSMKNJDVNLUIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093012
CC(C)Oc1cccc2c1c(NC(=O)[C@@H]1CCCCn3nnnc13)nn2C	ZINC22_77504715,PC-id_96404709	369.421	SKEMSLWCXXBKRA-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093013
CC(C)Oc1cccc2c1c(NC(=O)[C@H]1CCCCn3nnnc13)nn2C	ZINC22_77504716,PC-id_96404710	369.421	SKEMSLWCXXBKRA-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093014
CN(Cc1ccco1)Cc1cnc2CCN(CCn12)C(=O)c1ncn(C)n1	ZINC22_1565542138,EMOLS-id_313782215	369.421	ULVVZJOSKUOUIL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-093015
COC(=O)c1cc2CN(Cc3cc(C)n(c3C)n3cnnc3)CCCn2n1	EMOLS-id_36612008,ZINC22_67947857,MCULE-3562999450,PC-id_56758229	369.421	RFHSRPMFUYPCCU-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-093016
n12CCC(CCc1nn(CC(=O)NCCc1[nH]c3c(cccc3)n1)c2=O)N	EMOLS-id_50590572,PC-id_91910895,MCULE-2862659038	369.421	IHLBZFGTJFVULP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093017
NN(/C=C(/C(=O)NC1CCn2c(N(C1=O)C)ncc2)N)Cc1ccccc1	SCHEMBL19658578	369.421	YRWIXZDZVORZDL-OWBHPGMISA-N	00000000100000110101000000000010000000000000000000000000	31-01-093018
O=C(CCc1cncnc1)N1CCc2nnc(CN3CCCC3=O)n2CC1	ZINC22_1565542610,EMOLS-id_313726683	369.421	RHCJONNHDICSIX-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-093019
O=C(N1CCCn2nc(cc2C1)CN(Cc1ccoc1)C)Cn1ncnc1	PC-id_56905577	369.421	BJERQMYFYIOMHP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-093020
O=C(N1CCN(CC1)C(=O)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183120	369.421	DABREVRBMQDUAF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093021
O=C(N(Cc1n[nH]c2c1CCCCC2)C)Cc1[nH]n2c(n1)nc(cc2=O)C	PC-id_77079886	369.421	ZVILVQGAXCHKTF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093022
c1(C(C(C)C)NC(=O)c2cnc3c(nnn3C)c2)nnc2CCNCCn12	EMOLS-id_36452045,MCULE-1468705463,PC-id_56715881	369.424	HQXBKZFWMSUCCP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093023
CC(C)[C@H](NC(=O)c1cnc2c(c1)nnn2C)c1nnc2n1CCNCC2	PC-id_95213061,ZINC22_67804676	369.424	HQXBKZFWMSUCCP-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093024
CC(C)[C@@H](NC(=O)c1cnc2c(c1)nnn2C)c1nnc2n1CCNCC2	PC-id_95213062,ZINC22_67804677	369.424	HQXBKZFWMSUCCP-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093025
N#Cc1c(NC(=O)CN2CCOCC(C2)(F)F)sc2c1CCCCC2	EMOLS-id_99329887	369.429	YPURUEUEJNQPBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093026
c1(c2CCCCCc2sc1NC(=O)COCC(=O)O)C(=O)OC(C)C	MCULE-2105578751,ZINC22_17075721,TIMTEC52448,EMOLS-id_4046864,PC-id_17378838,CoCoCo_6834715	369.433	ANEWGCJPKNWRTJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-093027
c1(NC(=O)COCC(=O)O)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_17378842,ZINC22_17075720,CoCoCo_6834716,EMOLS-id_4046862,MCULE-1714536116,TIMTEC240535	369.433	JKHSIZHIURGRGL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-093028
CC/C=C(/COc1nn2c(c1)CN(CCC2)C(=O)c1ccc(cc1)F)C=C	PC-id_144757807	369.433	PQHGWWBWHHVDHN-OMCISZLKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093029
CN(C(=O)Nc1sc2c(n1)CCCCCC2)Cc1nccn1C(F)F	EMOLS-id_101101121	369.433	CTZYHGRCQWUNMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093030
Fc1cccc(CC(=O)N2CCc3ccc(C(=O)NCC4CC4)n3CC2)c1	ZINC22_585111023,EMOLS-id_313774273	369.433	SBRVMOIABMELBT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093031
Fc1cccnc1OCCC1CN(Cc2cccn2C1)C(=O)C1=CCCC1	EMOLS-id_313839139	369.433	XIUXTHKWXMOJDV-UHFFFAOYSA-N	00000011100000101101000000000010000000000000000000000000	31-01-093032
O=C(C1=CCCC1)N1Cc2cccn2C[C@H](CCOc2ncccc2F)C1	ZINC22_585095561	369.433	XIUXTHKWXMOJDV-INIZCTEOSA-N	00000011100000101101000000000010000000000000000000000000	31-01-093033
O=C(C1=CCCC1)N1Cc2cccn2C[C@@H](CCOc2ncccc2F)C1	ZINC22_585095562	369.433	XIUXTHKWXMOJDV-MRXNPFEDSA-N	00000011100000101101000000000010000000000000000000000000	31-01-093034
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)COCC)C(=O)OC	PC-id_8709218	369.433	UEYTWKQJIIWTSB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-093035
c1(c2-c(c(c1)CCCNS(=O)(=O)c1ccccc1)ccccc2)C(=O)O	PC-id_10429179,SCHEMBL9627121,CHEMBL355023	369.434	QTUXPQJBJVLXPG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-093036
COC(=O)c1cc(c2-c1ccccc2)CCNS(=O)(=O)c1ccccc1	PC-id_11726580,SCHEMBL9626665	369.434	GWCQMNNTAHGWCK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-093037
s1c2CCCCCc2cc1C(=O)OCCN1C(=O)c2c(C1=O)cccc2	PC-id_16509450	369.434	OSBGXMNZLILZNK-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-093038
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1)cccc2)C(=O)OC	PC-id_8718131	369.434	UEHTVBRLDRWPMQ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-093039
c12CN(CCCn1nc(CNC(=O)c1cc(F)cc(c1)C#N)c2)CC(C)C	ZINC22_82136750,PC-id_70763837,MCULE-3142797083,EMOLS-id_44444165	369.436	JGEWNJWNQARZHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093040
c1(CN(C)Cc2onc(Cc3ccccc3F)n2)c2CCCCCc2[nH]n1	CoCoCo_1218466,CoCoCo_1218464,ZINC22_20210145,MCULE-2469101185,PC-id_28738696,CoCoCo_1218465,CoCoCo_1218467,EMOLS-id_20463095	369.436	AGTSRQDJLCSTMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093041
Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCc2nnc(C(C)C)n2CC1	ZINC22_91626220,PC-id_70741599,MCULE-7132051291,EMOLS-id_44720202	369.436	ZCNPPETWHDRSJN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093042
Cc1nn(c2ccc(F)cc2)c(C)c1CN1CCCn2nc(CO)cc2C1	PC-id_90650242,MCULE-9997405568,ZINC22_220247857,EMOLS-id_50536497	369.436	GEBOBTDPZMUMAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093043
C/C=C(C=C
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CC(C(=O)N1CCS(=O)(=O)CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100961094	369.436	YUIIFKYTSKWLMB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093045
CCOC(=O)C1CCN(CC1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	PC-id_53182830,EMOLS-id_33086440,MCULE-5519406658	369.436	SJDLJIJPIYBCIJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093046
CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)CCc1cc2CNCCCn2n1	MCULE-4296179043,PC-id_70754032,ZINC22_72447321,EMOLS-id_43139326	369.436	UIGMULPWRNRODW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093047
O=C(NC1CCS(=O)(=O)C1)CCNC(=O)c1noc2c1CCCCC2	EMOLS-id_100930281	369.436	RIZMEIGNABBSOV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-093049
OC(=O)CCc1cc2CN(CCCn2n1)C(=O)C1CCS(=O)(=O)CC1	ZINC22_91893195,EMOLS-id_46083053,PC-id_72917713,MCULE-9211856901	369.436	NYKGNFCRMGEQSH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093050
c1(cc2c(cccc2)s1)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	PC-id_56916249,EMOLS-id_43177773,ZINC22_72480184,MCULE-2253445464	369.437	ZTJOSLXWBNVCLA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093051
C1CCCc2c(CC1)cc(s2)C(=O)Nc1cccc(c1)c1noc(=O)[nH]1	PC-id_136202719	369.437	MBCUHMUZTWMCDH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093052
c1(NC(=O)Cc2ccc(cc2)N(=O)=O)sc2c(CCCCCC2)c1C#N	SPECS-id_AK-968/11841137,TIMTEC66667,CoCoCo_1709223,PC-id_4286778,MCULE-2630939656,EMOLS-id_4046928,ZINC22_2729646	369.437	AYHZLOHJBKZEOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093053
CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1nc2CCCCCc2s1	MCULE-3469090359,EMOLS-id_334603890	369.437	AODDUVRNPCEILK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093054
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc2CCCCCc2s1	MCULE-7006757086,ZINC22_12828216,PC-id_25540904,EMOLS-id_24961507,CoCoCo_4546104	369.437	OGJUQZLTRWEFNY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093055
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Cn2ccccc2=O)o1	PC-id_33284402,MCULE-8756236524,ZINC22_26026561,EMOLS-id_44049317	369.437	YBFPRSVYMYJOLE-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-093056
ONC(=O)c1cn2c(c1)C(=O)N(CCC2)Cc1csc2c1cc(C)cc2	PC-id_144264908	369.437	ZYQBCNQSHTWUQN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093057
s1c2CCCCCc2cc1C(=O)NN=CC=Cc1c([N+](=O)[O-])cccc1	PC-id_78620847	369.437	MNGVNMFPJNEASD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093058
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1noc2c1cccc2	PC-id_9163651	369.437	IFJGTSUHXMUMCF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093059
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1c(cccc1)C#N	PC-id_31845908	369.437	ZEXXIKSYKRHOTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093060
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1ccc(cc1)C#N	PC-id_9323207	369.437	ZTPNZJFKRXYEOP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093061
s1c2CCCCCc2cc1C(=O)OC(c1onc(n1)c1cccnc1)C	PC-id_55536233	369.437	DYMNRGNAOSDISX-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-093062
s1c2c(CCCCC2)c(c1NC(=O)c1nc(c(cc1)C#N)C)C(=O)OC	PC-id_55763131	369.437	AJCMLPTZTLTMHA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-093063
s1c2CCCCCc2c(c1NC(=O)COc1c(cccc1)C(=O)N)C#N	PC-id_38858666	369.437	ZBJSGQSWXWIGFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093064
s1c2CCCCCc2nc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1	PC-id_16605135	369.437	RAPZQKAXSZHKNR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093065
s1c2CCCCCCc2cc1C(=O)OCc1onc(n1)c1cccnc1	PC-id_36301360	369.437	SVPIQODKDQDWBQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-093066
s1c2CCCCCCc2c(c1NC(=O)c1cc(c([N+](=O)[O-])cc1)C)C#N	PC-id_4086415	369.437	VXQQFLVFZWTDBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093067
s1c2CCCCCCc2c(c1NC(=O)c1cc([N+](=O)[O-])c(cc1)C)C#N	PC-id_3609121	369.437	RBHXGASIYRXCAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093068
s1c2CCCCCCc2c(c1NC(=O)c1c(c([N+](=O)[O-])ccc1)C)C#N	PC-id_4586615	369.437	GTOLGWNAVOKSAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093069
s1c2CCCCCCc2nc1NC(=O)c1cc2c(C(=O)N(C2=O)C)cc1	PC-id_60572094	369.437	AVQIUIXGXUHFLF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093070
S(=O)(=O)(NC(=O)c1c2-c(nc1NCC)ccccc2)c1ccc(cc1)C	PC-id_10832888	369.437	DHEJYZUBABJZQC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-093071
S(=O)(=O)(NC(=O)N(c1nc2-c(c1)ccccc2)CC)c1ccc(cc1)C	PC-id_10499328	369.437	NYENGVOPXQDVOK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-093072
c1(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(=O)(=O)C)nnc2CCCCCn12	EMOLS-id_55658386,ZINC22_220540339,MCULE-9195690867	369.439	HYURVHHNDXRZFB-GWNIPJSYSA-N	00001010100000000101001000000010000000000000000000000000	31-01-093073
CN1CCCc2c(C1)sc(n2)C(=O)N[C@H](C(=O)N(C)C)CNC(=O)O	SCHEMBL5544957,PC-id_69481892	369.439	YKOCXVWOWAITNN-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-093074
CS(=O)(=O)NC1C(C2C1OCC2)NC(=O)c1nnc2n1CCCCC2	PC-id_91779503	369.439	HYURVHHNDXRZFB-UHFFFAOYSA-N	00001010100000000101001000000010000000000000000000000000	31-01-093075
CS(=O)(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1nnc2n1CCCCC2	ZINC22_1074649995	369.439	HYURVHHNDXRZFB-RYDUCSDGSA-N	00001010100000000101001000000010000000000000000000000000	31-01-093076
s1c2CN(CCCc2nc1C(=O)NC(CNC(=O)O)C(=O)N(C)C)C	PC-id_77659758	369.439	YKOCXVWOWAITNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093077
c12CN(CCCn1nc(CNC(=O)c1ccc3c(c1)ncs3)c2)C(=O)C	MCULE-4920896448,ZINC22_82098112,PC-id_70722449,EMOLS-id_44429695	369.441	RTMGODQICOCDCI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093078
C1C=Cc2c(C=C1)nc(s2)OC1=CC=C(CC=C1)OCCN1C=NNN1	PC-id_143381747	369.441	OOYOWOIMAROAHO-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-093079
C1CN(CCc2c1nc(o2)C(=O)NCc1ccncc1)Cc1nccs1	PC-id_134808955	369.441	BTSBSJMZJBCWDS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093080
c1(C(=O)NC2CC2)cc2n(CCCN(C2)C(=O)c2cc3c(ccs3)[nH]2)n1	PC-id_50958578,MCULE-9879458310,EMOLS-id_232795891,ZINC22_67714759	369.441	PYEMWMJJERBQBZ-UHFFFAOYSA-N	00100000100000000101000100000010000000000000000000000000	31-01-093081
c1(NC(=O)COc2ccccc2n2cnnc2)sc2c(CCCCC2)n1	EMOLS-id_323373771,MCULE-1936358784	369.441	IPWCLVQAELKKJY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093082
c1(NC(=O)COc2cccc(c2)n2cnnc2)sc2c(CCCCC2)n1	MCULE-7750970247,EMOLS-id_323390349	369.441	KKYWKRZRWOVKHG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093083
Cc1nc(C(=O)N2Cc3ccnn3C[C@@H](OCc3cccnc3)C2)cs1	ZINC22_248025310	369.441	KFYSNGUCZWAWSW-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093084
Cc1nc(C(=O)N2Cc3ccnn3C[C@H](OCc3cccnc3)C2)cs1	ZINC22_248025315	369.441	KFYSNGUCZWAWSW-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093085
Cc1nc(cs1)C(=O)N1CC(Cn2nccc2C1)OCc1cccnc1	EMOLS-id_50011188	369.441	KFYSNGUCZWAWSW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093086
Cn1cnnc1Sc1ccc(NC(=O)c2noc3c2CCCCC3)cc1	EMOLS-id_50353703,MCULE-1013343380,ZINC22_124973385,PC-id_99608538	369.441	VWVXAUWXBJMEQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093087
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1cnn2ccccc12	ZINC22_1565554815,EMOLS-id_313792562	369.441	GDVKBTNZQDIJQK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093088
NC(=O)c1cc(ccc1O)c1csc(n1)Cc1nnc2n1CCCCC2	CoCoCo_3890612,MCULE-7627601350,PC-id_16229642,EMOLS-id_257924797	369.441	GMRJRWQYIZJITO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093089
O=C(c1sc2c(c1)CCCCCC2)NNC(=O)c1ccc2c(c1)[nH]nn2	CoCoCo_4404159,EMOLS-id_19845495,CoCoCo_4404158,MCULE-8324319026,PC-id_24564033,CoCoCo_4404157	369.441	DYYQJBXVRXXDSM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093090
O=C(Cn1nnc2c1cccc2)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_43920111,PC-id_51193288,MCULE-7884963510	369.441	CAKHVEKCOAWBIL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093091
O=C(Nc1ccc(OCc2nc[nH]n2)cc1)c1cc2c(s1)CCCNC2	ZINC22_2325778883	369.441	UMJWDLCUKSKVOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093092
O=S(=O)(c1cccnc1)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337772835,ZINC22_2356143710,MCULE-4796992233	369.441	SZASVRVIQHAGQH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-093093
s1c2CCCCCc2nc1NC(=O)CCc1onc(n1)c1cccnc1	PC-id_46472248	369.441	GPONFSFEGKQEHN-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-093094
s1c2CCCCCc2nc1NC(=O)CCc1onc(n1)c1ccncc1	PC-id_30217194	369.441	FXMKSCWIBWMZTL-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-093095
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cn2c(nnc2)cc1	PC-id_56292357	369.441	PXUGNLPAHUDIJP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093096
NN[C@H](C(=O)N[C@H]1CCn2nnc(c2)CC[C@H](CC1=O)C(=O)N)CS	SCHEMBL12024071,PC-id_58537160	369.443	RLRTZAWRIBMUAW-MIMYLULJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093097
SCC(NN)C(=O)NC1CCn2nnc(CCC(CC1=O)C(=O)N)c2	PC-id_76816484	369.443	RLRTZAWRIBMUAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093098
c12C(CCCCn1nnn2)C(=O)NCCc1csc(c2cccnc2)n1	MCULE-8231357495,PC-id_118767292,EMOLS-id_68883923	369.444	PZWMCTFRVWJGMN-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-093099
c12C(CCCCn1nnn2)C(=O)NCCc1csc(c2ccncc2)n1	MCULE-8230706538,EMOLS-id_68884037,PC-id_118767339	369.444	NVLCEWHRKLEPRW-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-093100
c1(C(=O)NCCc2csc(c3ncccn3)n2)cn2c(CCNCC2)n1	EMOLS-id_330459723,MCULE-3816985218,ZINC22_1857736064	369.444	JENPNMMFGWGKPT-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-093101
O=C(NCC1CN(Cc2nccs2)Cc2ccnn2C1)c1ccnnc1	EMOLS-id_55746708	369.444	JZCITNAEPHTBJK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-093102
O=C(NCCc1csc(c2cccnc2)n1)[C@H]1CCCCn2nnnc12	ZINC22_299770013	369.444	PZWMCTFRVWJGMN-AWEZNQCLSA-N	00000000100000101101100000000010000000000000000000000000	31-01-093103
O=C(NCCc1csc(c2cccnc2)n1)[C@@H]1CCCCn2nnnc12	ZINC22_299770019	369.444	PZWMCTFRVWJGMN-CQSZACIVSA-N	00000000100000101101100000000010000000000000000000000000	31-01-093104
O=C(NCCc1csc(c2ccncc2)n1)[C@H]1CCCCn2nnnc12	ZINC22_299769864	369.444	NVLCEWHRKLEPRW-AWEZNQCLSA-N	00000000100000101101100000000010000000000000000000000000	31-01-093105
O=C(NCCc1csc(c2ccncc2)n1)[C@@H]1CCCCn2nnnc12	ZINC22_299769865	369.444	NVLCEWHRKLEPRW-CQSZACIVSA-N	00000000100000101101100000000010000000000000000000000000	31-01-093106
O=C(NC[C@@H]1CN(Cc2nccs2)Cc2ccnn2C1)c1ccnnc1	ZINC22_306131236	369.444	JZCITNAEPHTBJK-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-093107
O=C(NC[C@H]1CN(Cc2nccs2)Cc2ccnn2C1)c1ccnnc1	ZINC22_306131237	369.444	JZCITNAEPHTBJK-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-093108
s1c2CCCCCCc2nc1NC(=O)c1c(SC(F)F)nccc1	PC-id_56022616	369.452	NMEQYMMQMZETGB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093109
FC(CN1CCC(CC1)CC(=O)N(Cc1nnc2n1CCCCC2)C)F	EMOLS-id_320247368,MCULE-1570608287	369.453	AZSQOGRXOXGGLG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093110
FC(CN1CCC(CC1)CC(=O)NCCc1nnc2n1CCCCC2)F	EMOLS-id_316658037	369.453	XQXMOAXCCNYHNT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093111
CCOC(=O)c1cc(c2-c1ccc(cc2)NCC(C(=C)C)C)C(=O)OCC	PC-id_101250331	369.454	VLNQMVMTNHXROE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-093112
COc1ccc(cc1)C(=O)c1c(C)cc2n1CCCCC2C(=O)OC(C)C	PC-id_20483871,SCHEMBL11198352	369.454	KPUNKCXPBOBFTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093113
COc1ccccc1C(=O)c1c(C)cc2n1CCCCC2C(=O)OC(C)C	SCHEMBL11202011,PC-id_20483831	369.454	FOIMZSBQULZUMP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093114
COc1cc(ccc1OC)C1(CCCC1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99370777	369.454	FCQLVMQLYXXAON-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-093115
OC(=O)CN1c2ccccc2C(C1=CC=Cc1ccc2-c1ccccc2)(C)C	PC-id_140106506	369.456	RMDXYJZLIILKHJ-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-093116
s1c2CCCCCc2cc1C(=O)NCc1cc(F)c(n2ccnc2)cc1	PC-id_56072089	369.456	VEBAJHHRQPETSB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093117
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc2c(CC(O2)(C)C)c1	MCULE-1422688862,EMOLS-id_46628776,PC-id_72895632,ZINC22_95374761	369.457	VVAISZGALJSVBP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093118
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1cccc2CC(C)(C)Oc12	PC-id_56882188,MCULE-8751606866,ZINC22_72422736,EMOLS-id_43057646	369.457	ZAFXIGQDKGUTAH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093119
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)C(C(C)C)c1ccccc1	EMOLS-id_43184903,PC-id_56919087,MCULE-2946177299	369.457	POUXGOITHBGHJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093120
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCCCc1ccccc1	PC-id_56888901,ZINC22_72409807,MCULE-7469078395,EMOLS-id_43085081	369.457	VBKWFLNBURRWGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093121
c1(C(=O)NCc2ccc(cc2)C(=O)OCCCC)c2CCCCCc2[nH]n1	MCULE-6120879949,EMOLS-id_335149650	369.457	PKXQUZSVFAEFAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093122
CC1OC(C)CN(C1)c1ccccc1NC(=O)c1noc2c1CCCCC2	EMOLS-id_100944483	369.457	FESBDCFUYVKABE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093123
CC(c1ccc(cc1)NC(=O)c1noc2c1CCCCC2)N1CCOCC1	EMOLS-id_100964418	369.457	KZJHICTTZFMUCC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093124
CC(C)[C@H](C(=O)N1CCCn2nc(CCC(=O)O)cc2C1)c1ccccc1	PC-id_95863349,ZINC22_72412360	369.457	POUXGOITHBGHJI-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093125
CC(C)[C@@H](C(=O)N1CCCn2nc(CCC(=O)O)cc2C1)c1ccccc1	PC-id_95863350,ZINC22_72412361	369.457	POUXGOITHBGHJI-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093126
CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCCc2occc2C1	EMOLS-id_177257181,MCULE-6270316629,ZINC22_585083954	369.457	WSRNBOJLZIGNPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093127
CC(C)n1c2c(CCCN(CCCC2=O)C(=O)OCc2ccccc2)cn1	SCHEMBL19928411,PC-id_134308867	369.457	ALSKOWRNRMJABH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093128
CCCNCCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_21953072,SCHEMBL6095356	369.457	JGATWVNFTTXEFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093129
CCCNCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL6093368,PC-id_21953150	369.457	FHDHJSPEVCUVOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093130
CC(C(=O)N1CCN(CC1)c1ccccc1O)N1CCCc2c(C1)cco2	EMOLS-id_99340537	369.457	MVIRTHSFBZJDSB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093131
CCNCCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_21953121,SCHEMBL6094240	369.457	YFRTVISOEDAAIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093132
CCNCCCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_21953141,SCHEMBL6093280	369.457	CZEFIGVBXGBSHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093133
CC(NCCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	SCHEMBL6093271,PC-id_21953163	369.457	OFWSDBJIZMMPQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093134
CCOC(=O)C1=CNCC(c2c1nn(c2C)Cc1ccc(cc1)OC)(C)C	SCHEMBL17777765,PC-id_137103995	369.457	YPELZWJDQJOOFA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093135
CN1CCC(=O)c2c(C1=O)n(CCCCNCCOc1ccccc1)cc2	SCHEMBL6989386,PC-id_20085231	369.457	INKASCNDWGSLQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093136
COc1ccc(cc1)C1(CCOCC1)NC(=O)c1cnc2n1CCCCC2	EMOLS-id_318081200	369.457	PFJNYDAQZGZQFL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093137
COc1ccccc1N1CCC(C1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_99851420	369.457	FTENOSWAEVGLPO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093138
COc1cccc(N2CCC[C@H](NC(=O)c3noc4c3CCCCC4)C2)c1	ZINC22_153740158	369.457	DFNJOJGPTVQGBU-HNNXBMFYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093139
COc1cccc(N2CCC[C@@H](NC(=O)c3noc4c3CCCCC4)C2)c1	ZINC22_153740306	369.457	DFNJOJGPTVQGBU-OAHLLOKOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093140
COCCN(C(=O)c1nn(c2c1CCCCC2=O)C)CCc1ccccc1	PC-id_144418654	369.457	GWESKLKETZOZOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093141
o1nc(c2CCCCCc12)C(=O)N1CCCN(CC1)c1ccc(OC)cc1	PC-id_71449721	369.457	OZPNHSKRPRURLP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093142
o1nc(c2CCCCCc12)C(=O)N1CCN(CC1)c1ccc(OCC)cc1	PC-id_71449720	369.457	KHDHEHKPPTUGEZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093143
o1nc(c2CCCCCc12)C(=O)N1CCN(CC1)Cc1ccc(OC)cc1	PC-id_71455072	369.457	IGKLKGPNNGOHTD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093144
O=C1/C=C/C=CC=Cc2c(C1=O)n(CCCN1CCOCC1)c(n2)C(C)C	PC-id_144879809	369.457	CDOVYUSNSAIEQK-WYELLYRHSA-N	00000000100010000111000000000010000000000000000000000000	31-01-093145
O(c1c(CN2CCCn3nc(cc3C2)CCC(=O)O)cc2c(CCC2)c1)C	PC-id_56900346	369.457	CDXNFFWJJDWMNU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093146
OC1CCN(CC1)Cc1cccc(c1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101056249	369.457	ZCWPMJVPOLEJKI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093147
O=C1N(c2c([nH]c(c2)C(=O)O)[C@H](N[C@H]1C(C)C)C(C)C)Cc1ccccc1	PC-id_53342635	369.457	FVYJAYSYPWFILU-MSOLQXFVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093148
O=C1N(c2c([nH]c(c2)C(=O)O)[C@@H](N[C@H]1C(C)C)C(C)C)Cc1ccccc1	PC-id_53342817	369.457	FVYJAYSYPWFILU-ROUUACIJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093149
O=C1N(c2c([nH]c(c2)C(=O)O)C(NC1C(C)C)C(C)C)Cc1ccccc1	PC-id_76016766	369.457	FVYJAYSYPWFILU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093150
O=C(c1noc2c1CCCCC2)N1CCN(CC1)CCOc1ccccc1	EMOLS-id_100939941	369.457	KKDQQFJEFFAIDO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093151
O=C(c1noc2c1CCCCC2)Nc1ccc(cc1)CCN1CCOCC1	EMOLS-id_100094466	369.457	DRNZIIKHVNMEIL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093152
O=C(c1noc2c1CCCCC2)NC(c1ccccc1)CN1CCOCC1	EMOLS-id_100946379	369.457	MLKQSGBAIMYCBM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093153
O=C(c1noc2c1CCCCC2)NCc1cccc(c1)CN1CCOCC1	EMOLS-id_100946670	369.457	CNJOFBUCFFOIMW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093154
O=C(c1noc2c1CCCCC2)NCC1OCCN(C1)Cc1ccccc1	EMOLS-id_100946280	369.457	YXNOLBKRSPGWKI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093155
O=C(c1noc2c1CCCCC2)NCC(c1ccccc1)N1CCOCC1	EMOLS-id_100922766	369.457	NCPREMXQMSGQAB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093156
O=C(COC1CCCC1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_247742224	369.457	PBUSDUVBCJVMQD-FQEVSTJZSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093157
O=C(COC1CCCC1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_247742228	369.457	PBUSDUVBCJVMQD-HXUWFJFHSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093158
O=C(COC1CCCC1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_247740335	369.457	NTYHQJFFMOKBIB-FQEVSTJZSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093159
O=C(COC1CCCC1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_247740336	369.457	NTYHQJFFMOKBIB-HXUWFJFHSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093160
O=C(COC1CCCC1)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_247722282	369.457	ABKSSGDUWATRTN-FQEVSTJZSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093161
O=C(COC1CCCC1)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_247722286	369.457	ABKSSGDUWATRTN-HXUWFJFHSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093162
O=C(COC1CCCC1)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_50007912	369.457	PBUSDUVBCJVMQD-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093163
O=C(COC1CCCC1)N1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_50006760	369.457	NTYHQJFFMOKBIB-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093164
O=C(COC1CCCC1)N1CC(Cn2cccc2C1)OCc1ccncc1	EMOLS-id_50010368	369.457	ABKSSGDUWATRTN-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093165
ONC(C=C(NC=O)c1c2-c(c(NC=O)c1)c(ccc(C(C)C)c2)C)(C)C	PC-id_53733443	369.457	CPMPUIYGGNCLTK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-093166
s1c(NC(=O)C2C3CC(C2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C#N	PC-id_74533661	369.457	LMIIDBUTDNKZTA-UHFFFAOYSA-M	00000011100000000100000000000110000000000000000000000000	31-01-093167
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C#N	PC-id_27520198	369.457	LMIIDBUTDNKZTA-FCLUMBPUSA-M	00000011100000000100000000000110000000000000000000000000	31-01-093168
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C#N	PC-id_40569477	369.457	LMIIDBUTDNKZTA-YIFBXAAPSA-M	00000011100000000100000000000110000000000000000000000000	31-01-093169
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C#N	PC-id_51417757	369.457	LMIIDBUTDNKZTA-AWBCAMRRSA-M	00000011100000000100000000000110000000000000000000000000	31-01-093170
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCCC3)o1	EMOLS-id_31908916,PC-id_47027771,MCULE-4585728917,ZINC22_48310827	369.459	UUGVJPMEJITREZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-093171
O=C(N1CCCc2c(C1)ccs2)CNS(=O)(=O)c1c(C)noc1C	EMOLS-id_318290409	369.459	UELGCEOLGSMJQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093172
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(onc1C)C	PC-id_8500391	369.459	UNTGDRRTPGBJMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093173
c12CN(CCC)CCCn1nc(CNC(=O)c1cccc(c1)NC(=O)C)c2	EMOLS-id_44452609,ZINC22_82170877,PC-id_70788116,MCULE-3852566738	369.461	YRBDURQPDKQTEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093174
c12CN(CCCn1nc(CCC(=O)N1CCOCC1)c2)Cc1ccccn1	EMOLS-id_46094889,ZINC22_92038257,PC-id_72933909,MCULE-2904687159	369.461	SUKCHWMJLRYNRJ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093175
c12CN(CCCn1nc(CCC(=O)N1CCOCC1)c2)Cc1cccnc1	PC-id_72882423,ZINC22_91625713,EMOLS-id_46057325,MCULE-7501943537	369.461	DQNBSYBMMOYILU-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093176
c12CN(CCCn1nc(CCC(=O)N1CCOCC1)c2)Cc1ccncc1	MCULE-3062859854,ZINC22_91931894,EMOLS-id_46085903,PC-id_72921641	369.461	CRPKSNQCCGUCPX-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093177
c12CN(CCCn1nc(CCC(=O)NC1CCCC1)c2)C(=O)c1ccc[nH]1	PC-id_72885642,EMOLS-id_46059707,ZINC22_91644146,MCULE-5715265745	369.461	ITLSBNKAFPKGBB-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-093178
c12CN(CCCn1nc(CN1CCOCCC1)c2)C(=O)Nc1ccccc1	MCULE-5223771564,PC-id_56904456,EMOLS-id_43143100,ZINC22_72150972	369.461	FBZSDWFIRYKNCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093179
c12CN(CCCn1nc(CNC(=O)c1cc(C)ccc1C)c2)C(=O)N(C)C	MCULE-9913607427,EMOLS-id_44440757,PC-id_70753866,ZINC22_82121792	369.461	ROGVMNCJAPHESM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093180
c12CN(CCCn1nc(CNC(=O)Cc1cccc(C)c1)c2)C(=O)N(C)C	EMOLS-id_44442323,PC-id_70758361,MCULE-4158939394,ZINC22_82127593	369.461	RRBOXRQROQJFPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093181
c12CN(CCCn1nc(CNC(=O)Nc1ccccc1C(C)C)c2)C(=O)C	PC-id_70748445,EMOLS-id_44438847,ZINC22_82120511,MCULE-6469329022	369.461	MGMXCWKUTQCLDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093182
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(cc1)C(=O)C	ZINC22_82136760,MCULE-1742740349,PC-id_70763890,EMOLS-id_44444181	369.461	ZHSJUAMXELNPRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093183
c12C(=O)N(CCCn1nc(C(=O)NCCN(C)C)c2)Cc1cccc(C)c1	EMOLS-id_32633106,MCULE-4424083450,PC-id_53034557	369.461	QGAFZKUTMIAPSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093184
c1(cc(c(CC)o1)CN(CC)CC)C(=O)N1CCCn2nc(C#N)cc2C1	PC-id_46996725,MCULE-6415272386,EMOLS-id_31622245,ZINC22_55369017	369.461	DZGZXLQAQGVTMR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-093185
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3ccc(cc3)OC)CCn12	MCULE-9918424932,ChEMBL-DNDi_CHEMBL20421791,PC-id_45184048,EMOLS-id_20458939	369.461	CWZZJCBWISRHBG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093186
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3cccc(OC)c3)CCn12	ChEMBL-DNDi_CHEMBL20276567,MCULE-9545182552,PC-id_45183855,EMOLS-id_20458059	369.461	GAQDNZKVEHNHDJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093187
c1(CN(C)c2ccc(cn2)C(=O)N2CCOCC2)c2CCCCCc2[nH]n1	MCULE-6803131380,PC-id_134697755,ZINC22_1529104856,EMOLS-id_316184486	369.461	VIHFDGSQHMFNKS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093188
O=C(N1CCOCC1c1ccccc1)NCCc1nnc2n1CCCCC2	MCULE-8567303977,EMOLS-id_313173263	369.461	XGTRMTGMCMVRAU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093287
c1(CN(C)C(=O)Nc2ccc(cc2C)C(=O)NC)c2CCCCCc2[nH]n1	ZINC22_96136502,EMOLS-id_49148301,MCULE-3983111298,PC-id_72855674	369.461	UKGUIUZPRCXWLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093189
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3ccc(CCC)o3)C2)n1	PC-id_91788108,MCULE-2736270706,EMOLS-id_55683261	369.461	OHAASSMCOMPNML-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-093190
c1(C(=O)N2CCCC(C2)OCc2ccccn2)cc2n(CCCN(C)C2)n1	MCULE-2878047070,EMOLS-id_32438290,PC-id_50985360	369.461	PILPOFHOAGIXLP-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093191
c1(C(=O)N(CC2CCCO2)Cc2ccccn2)cc2n(CCCN(C)C2)n1	MCULE-2685627984,PC-id_50979345,EMOLS-id_32427124	369.461	DDXWEAZWGAUSTI-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093192
c1(C(=O)NC(CC(C)C)c2cccnc2)cc2n(CCCN(C(=O)C)C2)n1	MCULE-6980601971,PC-id_50976457,EMOLS-id_32421700	369.461	PZBCABQETNNVDD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093193
Cc1ccc(cc1C)C(=O)N1CCCn2nnc(CN3CCOCC3)c2C1	PC-id_97519695,EMOLS-id_44370774,ZINC22_96259613	369.461	GWYKKNJWCIGCOB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093194
Cc1cc(C)cc(c1)C(=O)N1CCCn2nnc(CN3CCOCC3)c2C1	PC-id_97519696,ZINC22_96259614,EMOLS-id_44370776	369.461	ZZHNPVUGGLGPOF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093195
Cc1ccc(CNC(=O)NC2CCc3nn(CC4CC4)c(=O)n3CC2)cc1	PC-id_91922685,EMOLS-id_50590512,MCULE-5720550904	369.461	GDHJPTBMYUELQW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093196
Cc1ccc(NC(=O)NC2CCc3nn(CC4CC4)c(=O)n3CC2)cc1C	EMOLS-id_168607887,MCULE-1185471553	369.461	ODZSOOZJKLEFMV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093197
Cc1cc(=O)c(C(=O)NCCCc2nnc3n2CCCCC3)cn1C1CC1	MCULE-1871482243,EMOLS-id_316851769,ZINC22_283229124	369.461	YTMAOPYLQPAALX-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-093198
Cc1nc(C)nc(c1)N1CCC(CC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_111422773	369.461	VSXTWYMKMWNOFZ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-093199
CC1OC(C)CN(C1)c1ccc(cn1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670043	369.461	CMSJUVCBEMESQI-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-093200
CCc1ccc(cc1)C(=O)N1CCCn2nnc(CN3CCOCC3)c2C1	ZINC22_96259612,EMOLS-id_44370772,PC-id_97519694	369.461	MNYPCBHPXNWENC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093201
CCc1ccc(cn1)C(=O)N1CCc2ncc(CN3CCOCC3)n2CC1	ZINC22_1565542713,EMOLS-id_313779658	369.461	XHKSENFLQZQTHB-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093202
CCc1ccc(cn1)C(=O)N1CCCn2cnc(C(=O)NCC(C)C)c2C1	ZINC22_1565547103,EMOLS-id_313788219	369.461	NMBOJZUGRHEAAO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093203
CCc1cccc(NC(=O)N2CCCn3nnc(COCC4CC4)c3C2)c1	EMOLS-id_46181753,ZINC22_96084373,PC-id_97405200	369.461	PGHJQVTZYUNQFE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093204
CCc1ncnc(c1)N1CCCC(C1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100097166	369.461	ZFZDGIBIYUEBOG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-093205
CCCc1ccc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)o1	PC-id_100166478,ZINC22_222934205	369.461	OHAASSMCOMPNML-HXUWFJFHSA-N	00000000101000000101000000000010000000000000000000000000	31-01-093206
CCCc1ccc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)o1	ZINC22_230513819	369.461	OHAASSMCOMPNML-FQEVSTJZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-093207
CC(C)(C)C(=O)Nc1cccc(C(=O)NCc2nnc3n2CCCCC3)c1	MCULE-7069695055,PC-id_32279934,EMOLS-id_18812943,ZINC22_24968888,CoCoCo_4636370	369.461	IWEKOSIXCYYWKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093208
CC(C)N(C)CC(=O)N1CCCn2ncc(C(=O)Nc3ccccc3)c2C1	EMOLS-id_313764557,ZINC22_1565544160	369.461	RXKORHDHDQVWJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093209
CCC(NC(=O)c1cccc(c1)CNC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316644700	369.461	DPXVJTRXKWOLEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093210
CC(CNC(=O)c1ccc(c(c1)C)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319320071	369.461	VSZIHCJKLZTUAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093211
CCn1nc2CCC(CCn2c1=O)C(=O)N1CCN(CC1)c1ccccc1	EMOLS-id_207876845,MCULE-2881275670	369.461	JBRAJFNMGMEBMR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093212
CCN(C(=O)c1ccc(cc1)CNC(=O)C1CCn2c(CC1)nnc2)CC	MCULE-6366033396,EMOLS-id_320013851	369.461	PLWQVRQPHXMHJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093213
CCN(C(=O)C1CCn2c(CC1)nnc2)c1ccc(cc1)N1CCOCC1	EMOLS-id_278207788	369.461	NLCVKZQLYSSJBX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093214
CCN(C(=O)C1CCn2c(CC1)nnc2)CC(=O)Nc1c(C)cccc1C	MCULE-4792946426,EMOLS-id_319878387	369.461	KCDJCUJMRNGAPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093215
CCOc1ccccc1N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319819732,MCULE-1248384742	369.461	LSIOTYBMQFTYIG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093216
CC(=O)N1CCCn2nc(C(=O)N[C@@H](CC(C)C)c3cccnc3)cc2C1	PC-id_95137969,ZINC22_65468028	369.461	PZBCABQETNNVDD-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093217
CC(=O)N1CCCn2nc(C(=O)N[C@H](CC(C)C)c3cccnc3)cc2C1	PC-id_95137970,ZINC22_65468031	369.461	PZBCABQETNNVDD-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093218
CN1CCCn2nc(C(=O)N3CCC[C@H](OCc4ccccn4)C3)cc2C1	ZINC22_65535319,PC-id_95149142	369.461	PILPOFHOAGIXLP-SFHVURJKSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093219
CN1CCCn2nc(C(=O)N3CCC[C@@H](OCc4ccccn4)C3)cc2C1	ZINC22_65535322,PC-id_95149143	369.461	PILPOFHOAGIXLP-GOSISDBHSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093220
CN1CCCn2nc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cc2C1	ZINC22_65497048,PC-id_95142552	369.461	DDXWEAZWGAUSTI-SFHVURJKSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093221
CN1CCCn2nc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)cc2C1	ZINC22_65497054,PC-id_95142554	369.461	DDXWEAZWGAUSTI-GOSISDBHSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093222
CN1CCOCC1C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_98421907	369.461	CGECTPPZFTYHJF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093223
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)C(=O)NCc1ccccc1	EMOLS-id_50583213,PC-id_91922740,MCULE-3823740767	369.461	NQASJXNYXOYUFN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093224
CN(Cc1ccccn1)CC(=O)N1CCCn2c(C1)cc(n2)C(C1CC1)O	PC-id_90652815,MCULE-4911166061,EMOLS-id_50545931	369.461	QJTTUUDWDQSZEG-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-093225
CN(CC(=O)N1CCCn2nc([C@H](O)C3CC3)cc2C1)Cc1ccccn1	PC-id_100067148,ZINC22_221339922	369.461	QJTTUUDWDQSZEG-HXUWFJFHSA-N	00100000100000101101000000000010000000000000000000000000	31-01-093226
n1c(CCc2ccccc2)nn2CCN(C(=O)CN3CCOCC3)CCc12	ZINC22_2100537284,EMOLS-id_337705932,MCULE-6707001444	369.461	LNFAJMJNTDUANE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093246
CN(CC(=O)N1CCCn2nc([C@@H](O)C3CC3)cc2C1)Cc1ccccn1	PC-id_100067149,ZINC22_221339979	369.461	QJTTUUDWDQSZEG-FQEVSTJZSA-N	00100000100000101101000000000010000000000000000000000000	31-01-093227
CN(C(=O)C1CCn2c(CC1)nnc2)c1ccc(cc1)C(=O)NC(C)(C)C	EMOLS-id_319715409	369.461	FITVBKKGUZBQMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093228
COc1ccc2c(c1NC(=O)NCCc1nnc3n1CCCCC3)CCC2	EMOLS-id_100462907	369.461	SNWPRVRNWBYDFF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093229
COc1cccc(c1)C(=O)N1CCCn2c(C1)c(nn2)CN1CCCCC1	PC-id_97405559	369.461	HCQVOLPSYJQCTO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093230
COc1cccc(c1)C(=O)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97519764	369.461	ABKKIRBXQLBWGD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093231
COc1ccc(cc1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_44370714,PC-id_97519665,ZINC22_96259583	369.461	OZLGWSAKRMRYDF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093232
COc1ccc(cc1)C(=O)N1CCN(Cc2cc3CNCCCn3n2)CC1	PC-id_56897432,MCULE-7365050986,EMOLS-id_43120077,ZINC22_72157584	369.461	WDGUJHSOXBTASV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093233
COc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)c1	CoCoCo_1211499,CoCoCo_1211500,ZINC22_14885727,PC-id_26280463	369.461	GAQDNZKVEHNHDJ-AWEZNQCLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093234
COc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)c1	PC-id_26280461,ZINC22_14885724,CoCoCo_1211497,CoCoCo_1211498	369.461	GAQDNZKVEHNHDJ-CQSZACIVSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093235
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)cc1	CoCoCo_1212689,ZINC22_14886492,PC-id_26280963,CoCoCo_1212690	369.461	CWZZJCBWISRHBG-CQSZACIVSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093236
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)cc1	PC-id_26280966,CoCoCo_1212692,CoCoCo_1212691,ZINC22_14886495	369.461	CWZZJCBWISRHBG-AWEZNQCLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093237
COc1cccc(NC(=O)N2CCCn3cnc(CN4CCCC4)c3C2)c1	PC-id_97519414,EMOLS-id_44370206,ZINC22_96259330	369.461	XGXHXWXRWAYYAA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093238
COC1(CCNCC1)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337834097,MCULE-2352318628,ZINC22_2356165598	369.461	KWZIXDMHQIONBU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093239
n12CCC(CCc1nn(CC1CC1)c2=O)NC(=O)NCCc1ccccc1	PC-id_91910858,MCULE-2406539583,EMOLS-id_50590514	369.461	WAPOEJONDBNPEX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093240
n12CCC(CCc1nn(Cc1cccnc1)c2=O)CC(=O)N1CCCCC1	MCULE-4686746078,EMOLS-id_207877275	369.461	FHGQKZLYMKKLQP-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093241
n12CCCNCc1cc(CCC(=O)Nc1ccc(cc1)N1CCOCC1)n2	EMOLS-id_43145264,ZINC22_72454540,MCULE-3551181090,PC-id_70758712	369.461	CNNURCNOXMFCDD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093242
n12CCN(CCc1nnc2CCc1ccccc1)CC(=O)N1CCOCC1	MCULE-5988001387,PC-id_118778103,ZINC22_299785775,EMOLS-id_68906420	369.461	LOQMRPASADJTJA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093243
n12CCN(CCc1nnc2CCNC(=O)C1CCC1)Cc1ccccc1O	ZINC22_20451457,PC-id_28954947,EMOLS-id_20473715,CoCoCo_1233795,CoCoCo_1233796,MCULE-9286307440,ChEMBL-DNDi_CHEMBL22941271	369.461	NVHAXBJXCQGLQV-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-093244
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)C1COCCNC1	EMOLS-id_337820164,MCULE-9921036179	369.461	FJTIQJCXSOYBTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093245
n1c(CNC(=O)C(c2cccnc2)N2CCOCC2)c2c(CCCCC2)[nH]1	MCULE-1539796481,EMOLS-id_46082545,PC-id_72916935	369.461	GWBBKFGXSGUHSR-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093247
N#CC1(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)CCCC1	ZINC22_585110670,EMOLS-id_313778889	369.461	ZJFQXUSWAFTNGZ-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-093248
N#CC1(C(=O)N2CCCn3cnc(C(=O)NC4CCCC4)c3C2)CCCC1	EMOLS-id_313788988,ZINC22_1565553659	369.461	HDRIWWDCABJZCX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-093249
N#CCCCOc1cc(CNCc2nnc3n2CCCCC3)ccc1OC	EMOLS-id_51562952,MCULE-8621855116	369.461	NSRUIBFCFXDRHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093250
Oc1ccc(cc1)C1CCN(CC1)C(=O)NCc1nnc2n1CCCCC2	PC-id_86927500	369.461	GKYKAOSRLODBOG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093251
O=C1CC(C)(C)Cc2c1c(C)c([nH]2)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_110620336	369.461	JOSGTNCMEAUGGD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-093252
OC1CCCN(C1CCc1ccccc1)C(=O)C1CCn2c(CC1)nnn2	MCULE-7661549643,EMOLS-id_258124869	369.461	HHBZLCFWEBGFIS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093253
OC1CCN(CC1)C(=O)c1cccc(c1)NCc1nnc2n1CCCCC2	EMOLS-id_100832829	369.461	NOLILRYGPGRZJF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093254
O=C1N(CCCn2nc(cc12)C(=O)NCCN(C)C)Cc1ccc(cc1)C	CHEMBL1565733,PC-id_16028673	369.461	PGUYNROZUSIASX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093255
O=C(c1cccc(c1)CN1CCOCC1)NCc1nnc2n1CCCCC2	EMOLS-id_98907329	369.461	YRARNPQSOUMBQG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093256
O=C(c1ccc(cc1)N(C)C)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97519063	369.461	TWJWCPSHEJIUSQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093257
O=C(C1CCCN(C1)Cn1nc2n(c1=O)CCCCC2)Nc1ccccc1	EMOLS-id_13470656,MCULE-8603120963,PC-id_17451009	369.461	MHWAHTIZAXIYNM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093258
O=C(c1ccco1)NCCc1nnc2n1CCN(CC2)CC1CCC=CC1	EMOLS-id_232705179,ChEMBL-DNDi_CHEMBL13166330,PC-id_45928983,MCULE-6621302754	369.461	WDJMVHXILHDWIY-UHFFFAOYSA-N	00000000101011000101000000000010000000000000000000000000	31-01-093259
O=C(C1CCn2c(CC1)nnc2)Nc1cc(ccc1C)CN1CCOCC1	EMOLS-id_319602153	369.461	UPWGYABGWGDNTF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093260
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)CN(C(=O)C)C(C)C	EMOLS-id_319092649	369.461	VOKYSBLLNHLBHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093261
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)C(=O)N(C(C)C)C)C	EMOLS-id_319564637	369.461	RXHSSZAXUDOZEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093262
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)NC(=O)C(C)(C)C)C	MCULE-5981367406,EMOLS-id_319856357	369.461	MEJGPRMTQIUQQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093263
O=C(C1CCn2c(CC1)nnc2)NCc1ccccc1CN1CCOCC1	EMOLS-id_319647150	369.461	XUBCEROTFPMZCV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093264
O=C(C1CCn2c(CC1)nnc2)NC(c1ccccc1)CN1CCOCC1	EMOLS-id_320105240,MCULE-5460884133	369.461	RZNXRCZLTKXVEM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093265
O=C(C1CCn2c(CC1)nnc2)NCCc1ccccc1N1CCOCC1	EMOLS-id_258088852	369.461	OIIJQALTRRZJGK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093266
O=C(C1CCn2c(CC1)n[nH]c2=O)N1CCN(CC1)c1cccc(c1C)C	EMOLS-id_207876590,MCULE-2712844726	369.461	VCQHGZORQDRCFW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093267
O=C(c1ccnc(c1)OC1CCCCC1)NCc1nnc2n1CCCCC2	EMOLS-id_98678354	369.461	BTASTZJLEKHRPN-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093268
O=C(CC1CC1)NCc1cnc2CCN(CCn12)C(=O)CCc1ccc[nH]1	ZINC22_585110659,EMOLS-id_313779145	369.461	WKDCYXDEMGMIGL-UHFFFAOYSA-N	00100000110000000101000000000010000000000000000000000000	31-01-093269
O=C(CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1)NC1CCCC1	MCULE-2603540943,EMOLS-id_207877269	369.461	QZVQEBVVCQVTLF-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093270
O=C(CCc1ccc[nH]1)N1CCCn2cnc(C(=O)NC3CCCC3)c2C1	EMOLS-id_313789244,ZINC22_1565555122	369.461	SPGFYEHKYYUTOF-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-093271
O=C(CCc1ccc[nH]1)N1CCCn2ncc(C(=O)NC3CCCC3)c2C1	ZINC22_2055751076,EMOLS-id_313767872	369.461	FXMJGBQDVQVWOW-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-093272
O=C(C[C@@H]1CNC[C@H]1O)N=c1cc2n([nH]1)CCCN(Cc1ccccc1)C2	ZINC22_1875401559,PC-id_146153960	369.461	LBEYCWMWGPUEFL-SJLPKXTDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093273
O=C([C@H]1CNCCOC1)N1CCc2nc(CCc3ccccc3)nn2CC1	ZINC22_2356139224	369.461	FJTIQJCXSOYBTG-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093274
O=C([C@@H]1CNCCOC1)N1CCc2nc(CCc3ccccc3)nn2CC1	ZINC22_2356139226	369.461	FJTIQJCXSOYBTG-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093275
O=C(Cn1nc2n(c1=O)CCCCC2)NCCN1C(C)Cc2c1cccc2	PC-id_86860638	369.461	RQSWQEKAOXBERN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093276
O=C(COC1CCCC1)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_247739270	369.461	MVAOGFLZBCTXTF-INIZCTEOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093277
O=C(COC1CCCC1)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_247739273	369.461	MVAOGFLZBCTXTF-MRXNPFEDSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093278
O=C(COC1CCCC1)N1CC(CNc2ccccn2)Cn2nccc2C1	EMOLS-id_50376305	369.461	MVAOGFLZBCTXTF-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093279
O=C(N1CCCc2c(C1)cnn2C)NCc1cccnc1OC1CCCC1	EMOLS-id_318178204	369.461	LJZDICJUIYSTOY-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093280
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc(ccc1O)C	PC-id_51317218	369.461	MUEJWLCZGLAFLI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093281
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(OC)cc1	PC-id_46534091	369.461	ZCJYKJQQIWXIJT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093282
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc(OC)ccc1	PC-id_51308068	369.461	JZONKELHNSEYPG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093283
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(O)cc(cc1)C	PC-id_51317197	369.461	SVYRRAUKGNAGEI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093284
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(OC)cccc1	PC-id_51308060	369.461	BDBPWPSPOZFZJA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093285
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)COc1ccccc1	PC-id_51308067	369.461	AFOIILFZSONCRZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093286
O=C(N(C1CC1)Cc1cc(O)ccc1)NCCc1n2CCCCCc2nn1	PC-id_52216020	369.461	NFQIHOCRZYKURF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093288
O=C(Nc1ccccc1)[C@H]1CCCN(Cn2nc3n(c2=O)CCCCC3)C1	CoCoCo_4551280,ZINC22_14138165,CoCoCo_4551279,PC-id_25958609	369.461	MHWAHTIZAXIYNM-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093289
O=C(Nc1ccccc1)[C@@H]1CCCN(Cn2nc3n(c2=O)CCCCC3)C1	ZINC22_14138163,PC-id_25958607,CoCoCo_4551278,CoCoCo_4551277	369.461	MHWAHTIZAXIYNM-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093290
O=C(NCC1CN(CC2CCOCC2)Cc2ccnn2C1)c1cccnc1	EMOLS-id_50371137	369.461	RGRLRRMQLLQONF-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093291
O=C(NCc1n[nH]c2c1CCCCC2)[C@H](c1cccnc1)N1CCOCC1	PC-id_97145601,ZINC22_91876911	369.461	GWBBKFGXSGUHSR-IBGZPJMESA-N	00000000100010101101000000000010000000000000000000000000	31-01-093292
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H](c1cccnc1)N1CCOCC1	ZINC22_91876912,PC-id_97145602	369.461	GWBBKFGXSGUHSR-LJQANCHMSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093293
O=C(NCCc1n2CCCCCc2nn1)c1ccc(NC(=O)C(C)C)cc1	PC-id_55618660	369.461	DZKGVJXMZAUDNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093294
O=C(NCCc1n2CCCCCc2nn1)CNC(=O)c1cc(c(cc1)C)C	PC-id_55535772	369.461	WIHCYJOPOWASBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093295
O=C(NCCc1nnc2n1CCCCC2)N1CCOC[C@H]1c1ccccc1	ZINC22_73568740	369.461	XGTRMTGMCMVRAU-KRWDZBQOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093296
O=C(NCCc1nnc2n1CCCCC2)N1CCOC[C@@H]1c1ccccc1	ZINC22_73568741	369.461	XGTRMTGMCMVRAU-QGZVFWFLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093297
O=C(NCCc1nnc2n1CCN(C[C@H]1CC=CCC1)CC2)c1ccco1	ZINC22_19740651	369.461	WDJMVHXILHDWIY-INIZCTEOSA-N	00000000101011000101000000000010000000000000000000000000	31-01-093298
O=C(NCCc1nnc2n1CCN(C[C@@H]1CC=CCC1)CC2)c1ccco1	ZINC22_19740653	369.461	WDJMVHXILHDWIY-MRXNPFEDSA-N	00000000101011000101000000000010000000000000000000000000	31-01-093299
O=C(NC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1cccnc1	ZINC22_247505512	369.461	RGRLRRMQLLQONF-KRWDZBQOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093300
O=C(NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1cccnc1	ZINC22_247505519	369.461	RGRLRRMQLLQONF-QGZVFWFLSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093301
OC(=O)CCc1nn2c(CN(CC3C(NNC3)c3ccccc3)CCC2)c1	PC-id_76439713	369.461	KSRTXDFPZYGEAB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093302
s1c2CCCCCc2c(c1NC(=O)c1nc(sc1)c1occc1)C#N	PC-id_72054739	369.461	OBGIEXYXVKCHMO-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-093303
Cc1ncc(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)s1	PC-id_70772408,ZINC22_82139274,EMOLS-id_44447113,MCULE-1068679555	369.462	JNPHOXUSRYLFCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093304
Cc1nc(C(=O)N2Cc3ccnn3C[C@H](CNS(=O)(=O)C)C2)cs1	ZINC22_248055978	369.462	UGAWKKQAHXBQDT-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093305
Cc1nc(C(=O)N2Cc3ccnn3C[C@@H](CNS(=O)(=O)C)C2)cs1	ZINC22_248055991	369.462	UGAWKKQAHXBQDT-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-093306
Cc1nc(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)cs1	EMOLS-id_44443563,ZINC22_82134600,PC-id_70762158,MCULE-9474709104	369.462	SOLNPQJYROXYQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093307
Cc1nc(cs1)C(=O)N1CC(CNS(=O)(=O)C)Cn2nccc2C1	EMOLS-id_50371073	369.462	UGAWKKQAHXBQDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093308
Cc1ncsc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82121174,PC-id_70751088,MCULE-9310392863,EMOLS-id_44439789	369.462	RQPPYNBRSYTVNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093309
CCn1c(c(c(n1)C)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2)C	PC-id_90625686	369.462	KREDTZPWRRHBRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093310
CC(=O)NCCc1ccc(s1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316708606	369.462	FUBLHZSXOGJOND-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-093311
CCS(=O)(=O)N1Cc2ccnn2C[C@H](CNC(=O)c2cscn2)C1	ZINC22_585098982	369.462	BAKOKEUKCGYUED-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093312
CCS(=O)(=O)N1Cc2ccnn2C[C@@H](CNC(=O)c2cscn2)C1	ZINC22_585098983	369.462	BAKOKEUKCGYUED-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-093313
CCS(=O)(=O)N1CC(CNC(=O)c2cscn2)Cn2nccc2C1	EMOLS-id_313732786	369.462	BAKOKEUKCGYUED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093314
CNC(=O)c1cc(cs1)S(=O)(=O)NCc1cc2CNCCCn2n1	MCULE-7961933225,EMOLS-id_44435599,PC-id_70739173,ZINC22_82109227	369.462	PTJKCEVCJMQJLX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-093315
S(c1n2CCCCCc2nn1)CC(=O)NCCN1C(=O)CSC1=O	PC-id_7876928	369.462	QPBAAZRAHXOQRT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-093316
c12CN(CCCn1nc(CN1CCCN(CC1)c1ncccn1)c2)C(=O)C	EMOLS-id_43096825,MCULE-5222901896,PC-id_56891788,ZINC22_72420316	369.464	XFQZJHNFRQMVNY-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-093317
c12CN(CCCn1nc(CNc1cc(C)nc(NC)n1)c2)C(=O)C1CCC1	MCULE-9219411039,ZINC22_82161988,PC-id_70785237,EMOLS-id_44451607	369.464	JWEFIVXHMSHWHX-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-093318
c12nnnn1CCCCC2C(=O)N(Cc1ccncc1)C1CCN(CC1)C	MCULE-6553966438,EMOLS-id_49659502,PC-id_74240199	369.464	AWQYYHDVVMDRQK-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093319
c1(C(=O)NCc2cc3n(CCCN(CC(C)C)C3)n2)cnn2ccn(C)c12	MCULE-1638477727,EMOLS-id_68882141,ZINC22_299771325,PC-id_118766467	369.464	WCOAGTFIAKUNRU-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-093320
c1(N2CCCC2)nc(C)cc(NCc2cc3n(CCCN(C(=O)C)C3)n2)n1	EMOLS-id_44447983,MCULE-2586028407,ZINC22_82147159,PC-id_70774934	369.464	NBKIJHYIMBFUNJ-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-093321
c1(N2CCCCC2)ncc(c(C)n1)C(=O)NCc1cc2n(CCCNC2)n1	MCULE-9498265798,EMOLS-id_44443247,ZINC22_82134211,PC-id_70761195	369.464	IDDMTRSXGRBREA-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-093322
Cc1cccc(c1)CN1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183147	369.464	BQVHPFMOPFLHTD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093323
Cc1ccc(c(c1)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102165217	369.464	USUJTRPVCZAXPY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093324
Cc1cccc(c1)NC1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163465	369.464	VWMHAZXOOCUSRB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093325
CC1CCN(CC1)c1cccc(c1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102025687	369.464	RCZJIEQCAZXQHR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093326
CC1CN(CCN1Cc1ccccc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102107096	369.464	SXBQFIKNFYCTNF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093327
C[C@@H]1CN(CCN1C(=O)NC1CCn2c(CC1)nnn2)Cc1ccccc1	EMOLS-id_102163267	369.464	GCIXZIGQSLBISO-LDCVWXEPSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093328
CN1CCC(N(Cc2ccncc2)C(=O)[C@@H]2CCCCn3nnnc23)CC1	ZINC22_97578852,PC-id_97915321	369.464	AWQYYHDVVMDRQK-QGZVFWFLSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093329
CN1CCC(N(Cc2ccncc2)C(=O)[C@H]2CCCCn3nnnc23)CC1	ZINC22_97578854,PC-id_97915322	369.464	AWQYYHDVVMDRQK-KRWDZBQOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093330
CN1CCN(CC1)c1nccc(c1)CNC(=O)C1CCn2c(CC1)nnc2	MCULE-6274960028,EMOLS-id_320228027	369.464	UZJZVEFXGAORCY-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-093331
CN(c1ccccc1)C1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165013	369.464	SXMGKQVKUQSHOM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093332
CN(C1CCCN(C1)c1ccccc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163342	369.464	WZDSOWYPPPSASU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093333
CN=C(N1CCC(C1)Oc1ccccn1)NCc1nnc2n1CCCCC2	PC-id_120066499	369.464	WIMBGNGLXWJPKC-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093334
n12CCCNCc1cc(CCC(=O)NC1CCCN(c3ncccn3)C1)n2	EMOLS-id_43180317,PC-id_70785953,MCULE-3998183402	369.464	MNSPXGOBCCUGMT-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-093335
n1c(CN2CCN(CC2)CC(=O)Nc2cccnc2)cc2CNCCCn12	ZINC22_72148213,PC-id_56893504,MCULE-1428918137,EMOLS-id_43104049	369.464	VKDVSHYHOYXOCH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093336
n1c(CNC(=O)CN2CCN(CC2)c2ncccn2)c2c(CCCCC2)[nH]1	ZINC22_670458275,MCULE-4958592516,EMOLS-id_222777701	369.464	NHGCZOLPSLFJAD-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-093337
N[C@@H]1CCN(C1)c1nc(nc(c1C)C)C(=O)N1CCCc2c(C1)cnn2C	MCULE-2214240682,PC-id_145912424,EMOLS-id_323962827	369.464	BWGYJOXZDBWGQZ-OAHLLOKOSA-N	00000010100000100101100000000010000000000000000000000000	31-01-093338
o1c2ncnc(NCc3nn4CCCN(Cc4c3)CC(C)C)c2nc1CC	PC-id_70709369	369.464	IHNQOFRSBKFDEU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093339
O=C(CCc1cc2n(n1)CCCNC2)N[C@H]1CCCN(c2ncccn2)C1	PC-id_95897627,ZINC22_72481048	369.464	MNSPXGOBCCUGMT-INIZCTEOSA-N	00000000100010100101100000000010000000000000000000000000	31-01-093340
O=C(CCc1cc2n(n1)CCCNC2)N[C@@H]1CCCN(c2ncccn2)C1	PC-id_95897628,ZINC22_72481049	369.464	MNSPXGOBCCUGMT-MRXNPFEDSA-N	00000000100010100101100000000010000000000000000000000000	31-01-093341
O=C(CN1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1)N1CCCC1	ZINC22_306131040	369.464	JVFVDIPXSSQZLS-INIZCTEOSA-N	00000010100000100101000000000010000000000000000000000000	31-01-093342
O=C(CN1Cc2ccnn2C[C@H](CCNc2ncccn2)C1)N1CCCC1	ZINC22_306131041	369.464	JVFVDIPXSSQZLS-MRXNPFEDSA-N	00000010100000100101000000000010000000000000000000000000	31-01-093343
O=C(C(N1CCCc2c(C1)cnn2C)C)N1CCN(CC1)c1ncccn1	EMOLS-id_101741875	369.464	RSFHTDQGXTXUIV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-093344
O=C(CN1CC(CCNc2ncccn2)Cn2nccc2C1)N1CCCC1	EMOLS-id_50376219	369.464	JVFVDIPXSSQZLS-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-093345
O=C(N1CCCc2c(C1)cnn2C)NCc1cc(C)nc(n1)N1CCCC1	EMOLS-id_101700419,MCULE-2192740460	369.464	IFGFGBFZTUNGBU-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-093346
O=C(N1CCCN(CC1)Cc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183204	369.464	MVFHHJVPBQDPME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093347
O=C(N1CCN(CC1)c1cccc(c1C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102183090	369.464	CDEHQLAOSRPKET-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093348
O=C(N1CCN(CC1)Cc1ccccc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102183150	369.464	ABHLUOSSSAVSBP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093349
O=C(Nc1ccccc1N1CCCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102001602	369.464	BHGPEEHEKQMQGG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093350
O=C(Nc1cccc(c1)N1CCCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102025714	369.464	DSUNIQPJCLMZQL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093351
O=C(NCCc1n2CCCCCc2nn1)C1CCN(CC1)c1ncccn1	PC-id_60544174	369.464	NYLFIZJOVIVUPO-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-093352
CN=C(N1CCN(CC1)c1ncccn1)NCc1nnc2n1CCCCC2	PC-id_111206226	369.467	ISNYXGFHJXXEBR-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-093353
NC(=NCCc1nnc2n1CCCCC2)N1CCN(CC1)c1ncccn1	PC-id_119117937	369.467	ROZPAELICKNGNP-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-093354
[3H]CSOC1=CCCCc2c1c(cn2C(=O)OC(C)(C)C)C(=O)OCC	PC-id_145848433	369.468	KUTIWCYZUYKZBI-XHHURNKPSA-N	00000000100000000110000000000010000000000000000000000000	31-01-093355
c1(NC(=O)C2CC2c2ccccc2)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_4047028,PC-id_4375235,MCULE-9717618239,SPECS-id_AK-968/12971205	369.477	KMJLDZFPMQDDHJ-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-093356
c1(NC(=O)C=Cc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2702342878,PC-id_5190311	369.477	SOEJQCLJBMWREC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093357
c1(NC(=O)C=Cc2ccccc2)sc2c(CCCCCC2)c1C(=O)OC	PC-id_4164040,MCULE-9928809006	369.477	CLMLYUBAJOLCKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093358
CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCCC2	CoCoCo_5015583,EMOLS-id_45797571,PC-id_6296187,ZINC22_5474057	369.477	SOEJQCLJBMWREC-BUHFOSPRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093359
CCOC(=O)c1c(NC(=O)/C=Cc2ccccc2)sc2c1CCCCC2	CoCoCo_5015584	369.477	SOEJQCLJBMWREC-YPKPFQOOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093360
COC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCCCC2	CoCoCo_5815282,TIMTEC102050,ZINC22_2081292,PC-id_1740641,EMOLS-id_26496723,SPECS-id_AK-968/11841789	369.477	CLMLYUBAJOLCKC-BUHFOSPRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093361
COC(=O)c1c(NC(=O)/C=Cc2ccccc2)sc2c1CCCCCC2	CoCoCo_5815283	369.477	CLMLYUBAJOLCKC-YPKPFQOOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093362
COC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCCC2	CoCoCo_6785687,ZINC22_670732,PC-id_1010377	369.477	KMJLDZFPMQDDHJ-HOTGVXAUSA-N	00100000100000110100100000000010000000000000000000000000	31-01-093363
COC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCCCC2	PC-id_1010379,ZINC22_670734,CoCoCo_6785684	369.477	KMJLDZFPMQDDHJ-CVEARBPZSA-N	00100000100000110100100000000010000000000000000000000000	31-01-093364
COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCCCC2	PC-id_1010381,ZINC22_670736,CoCoCo_6785685	369.477	KMJLDZFPMQDDHJ-HZPDHXFCSA-N	00100000100000110100100000000010000000000000000000000000	31-01-093365
COC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCCCC2	ZINC22_670733,CoCoCo_6785686,PC-id_1010378	369.477	KMJLDZFPMQDDHJ-JKSUJKDBSA-N	00100000100000110100100000000010000000000000000000000000	31-01-093366
s1c2CCCCCc2cc1C(=O)OC(C(=O)N1CCc2c1cccc2)C	PC-id_16509435	369.477	DKZQWVSSSQJARQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-093367
s1c2CCCCCc2cc1C(=O)OC(C(=O)NC1CC1)c1ccccc1	PC-id_78634977	369.477	UHFMFLZABPSABP-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-093368
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc2CCCc2cc1	PC-id_16509397	369.477	YZHCRNKOOFHKML-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-093369
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)N1CCc2c1cccc2)C	PC-id_7352040	369.477	DKZQWVSSSQJARQ-AWEZNQCLSA-N	00000010100000100100000000001010000000000000000000000000	31-01-093370
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)N1CCc2c1cccc2)C	PC-id_7352041	369.477	DKZQWVSSSQJARQ-CQSZACIVSA-N	00000010100000100100000000001010000000000000000000000000	31-01-093371
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1	PC-id_8216198	369.477	UHFMFLZABPSABP-IBGZPJMESA-N	00100000100000110100000000000010000000000000000000000000	31-01-093372
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1	PC-id_8216202	369.477	UHFMFLZABPSABP-LJQANCHMSA-N	00100000100000110100000000000010000000000000000000000000	31-01-093373
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(cc1)C)C(=O)OC	PC-id_5104933	369.477	YNVXUCINJRVSHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093374
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(cc1)C)C(=O)OC	PC-id_6271449	369.477	YNVXUCINJRVSHB-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093375
CCN(S(=O)(=O)C)C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111879853	369.479	YZTOCRIJDKNWGG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093376
CCS(=O)(=O)N(C1CCN(CC1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_111879871	369.479	DXBXGHFJGJCDHU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093377
COCC1CCN(CC1)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	MCULE-6867624979,EMOLS-id_317418075	369.479	VUEQVCAZZWDOPR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093378
Fc1cccnc1CN1CCCn2c(C1)cc(n2)CN1C[C@H]2C[C@@H]1CCC2	MCULE-2843541751,EMOLS-id_43155984,PC-id_56908776	369.479	NGSFKVQQCDODJK-AEFFLSMTSA-N	00000010100010101101000000000110000000000000000000000000	31-01-093379
Fc1c(nccc1)CN1Cc2n(nc(CN3C4CC(C3)CCC4)c2)CCC1	PC-id_76438246	369.479	NGSFKVQQCDODJK-UHFFFAOYSA-N	00000010100010101101000000000110000000000000000000000000	31-01-093380
O=C(c1noc2c1CCCCC2)NCC1CCCCC1NS(=O)(=O)C	EMOLS-id_98786360	369.479	XVPLQHXZLQRETN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093381
c1(c2ccccc2n(CCOC)c1)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-6243615452	369.481	IBEDXPCJIASFIN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093382
c1(c2CCCCCCc2sc1NC(=O)c1cccnc1)C(=O)NC1CC1	TIMTEC433001,EMOLS-id_2043092,MCULE-3398492247,PC-id_1246926,CoCoCo_542893,ZINC22_1055656	369.481	RQYMVEARDZHKSG-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-093383
c1(c2CCCCCCc2sc1NC(=O)c1ccncc1)C(=O)NC1CC1	CoCoCo_1069111,ZINC22_13329453,PC-id_17173010,MCULE-4449862567,EMOLS-id_13330238	369.481	DJOZTCKFKUCQNP-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-093384
c1(cc2c(cccc2)n1CCOC)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-7717474308,EMOLS-id_323252614	369.481	OWPAMTWSPJFKGO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093385
C1(CC(=O)N(C)C1c1ccccc1)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323356587,MCULE-2616460680	369.481	MDUJOOCVIVPHNK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093386
c1(NC(=O)CCCN2Cc3c(cccc3)C2=O)sc2c(CCCCC2)n1	MCULE-5507246332,EMOLS-id_323316013	369.481	RCCOSCHHKHYQBZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093387
c1(NC(=O)CCC(=O)N2CCc3ccccc23)sc2c(CCCCC2)n1	MCULE-9486784308,EMOLS-id_334755524	369.481	PJCOYSWOLCTYDD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093388
c1(NC(=O)CCn2c3c(cccc3cc2)OC)sc2c(CCCCC2)n1	MCULE-4434069097,EMOLS-id_323314559	369.481	BWDUWRVNDRQGAR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093389
c1(NC(=O)CCn2ccc3c(cccc23)OC)sc2c(CCCCC2)n1	MCULE-2548696910,EMOLS-id_323341679	369.481	LOAOMGMQDUXOEY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093390
c1(NC(=O)CCn2ccc3cc(OC)ccc23)sc2c(CCCCC2)n1	EMOLS-id_323308139,MCULE-6754974450	369.481	IGTMIDVJDPJFLH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093391
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc2c(ccn2CCOC)c1	EMOLS-id_323344243,MCULE-5997981500	369.481	UJQOLDYEGPWMRR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093392
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc2c(n(CCOC)cc2)c1	MCULE-8726564934,EMOLS-id_323320460	369.481	DUBDDBLBYRKVIM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093393
c1(sc2c(CCCCC2)n1)NC(=O)c1cccc2c1ccn2CCOC	EMOLS-id_323315604,MCULE-7549921880	369.481	MWPDPAHEFQZGOG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093394
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(Cc2ccccc2)C1	MCULE-1458120774,EMOLS-id_323408783	369.481	FESQTPZFIBIRFF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093395
CCC(=O)N1CCc2cc(C(=O)Nc3nc4c(s3)CCCCC4)ccc12	EMOLS-id_29639033,CoCoCo_4937821,PC-id_45909166,MCULE-3987003012,ZINC22_40144352	369.481	OZBGMGFANHYEQG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093396
C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCCc2occc2C1	ZINC22_585083949	369.481	UNPVKXFZLPIRAU-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093397
C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCCc2occc2C1	ZINC22_585083950	369.481	UNPVKXFZLPIRAU-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093398
CCOc1ccccc1NCC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-6324484025,ZINC22_12554964,EMOLS-id_16683942,CoCoCo_3845561,PC-id_25355258	369.481	OCIGAJKHWMMURL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093399
CCOC(=O)c1c(NCc2nc3c([nH]2)cccc3)sc2c1CCCCC2	PC-id_145987753	369.481	CGJZNCITDMMIID-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093400
CN(C(c1cc2c(o1)cccc2)C)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825112	369.481	WMSKNEHTLBAMPB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093401
COc1ccc(cc1)NC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	PC-id_45355566,EMOLS-id_16693447,MCULE-9969301897	369.481	DMKMTZFMHVCIDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093402
COc1ccccc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4223484,PC-id_9274077,ZINC22_8141492	369.481	VJFKVVURLQDMGU-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093403
COc1ccccc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_8141494,PC-id_9274079,CoCoCo_4223485	369.481	VJFKVVURLQDMGU-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093404
COc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC22_12555677,PC-id_25355666,CoCoCo_4223874	369.481	DMKMTZFMHVCIDO-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093405
COc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC22_12555678,PC-id_25355667,CoCoCo_4223873	369.481	DMKMTZFMHVCIDO-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093406
n1c(CNC(=O)CCc2ccc(c3cccs3)o2)c2c(CCCCC2)[nH]1	EMOLS-id_222782704,ZINC22_670462557,MCULE-3684446774	369.481	HLTFESAJGJNZNF-UHFFFAOYSA-N	00000000101100000101100000000010000000000000000000000000	31-01-093407
N#Cc1c(NC(=O)CCN2CCCc3c(C2)cco3)sc2c1CCCC2	EMOLS-id_99341956	369.481	RLNDFKAMAVORRX-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-093408
N#Cc1c(NC(=O)CN2CCCc3c(C2)cco3)sc2c1CCCCC2	EMOLS-id_99340369	369.481	YUKWSGNDLHGJND-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-093409
N#Cc1c(NC(=O)C(Nc2ccccc2OC)C)sc2c1CCCCC2	EMOLS-id_16777592,MCULE-1993758511,PC-id_45354975	369.481	VJFKVVURLQDMGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093410
N#CCCCOc1cccnc1NC(=O)c1cc2c(s1)CCCCCC2	MCULE-6424622599,EMOLS-id_36317530,ZINC22_69349364,PC-id_53555080	369.481	BFIXBPGAQUQBGK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-093411
O=C1NCCCN1c1cccc(c1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_99798767	369.481	LSRDSXCXKJHIKL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093412
O=C(c1cc2c(s1)CCCCC2)N1CCN(CC1)C(=O)c1ccccn1	EMOLS-id_110746629	369.481	SUCUUUYFCDOEST-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093413
O=C(c1cc2c(s1)CCCCC2)N1CCN(CC1)C(=O)c1cccnc1	EMOLS-id_110241510	369.481	WKWRJXYATXWWFT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093414
O=C(c1ccc2c(c1)CCN2C(=O)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98551058	369.481	HQSXMLJKODRIGY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093415
O=C(C1CCCN1C(=O)c1ccccc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98767358	369.481	XZTHGVPZOCEAEB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093416
O=C(c1sc2c(c1)CCCCCC2)Nc1ccc2c(c1)CCN2C(=O)N	EMOLS-id_110290304	369.481	PJYQQDSERVDVOU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-093417
O=C(c1sc2c(c1)CCCCCC2)Nc1ccc2c(c1)N(CC2)C(=O)N	EMOLS-id_100684205	369.481	MZXPDROAAUTSIB-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-093418
O=C(c1sc2c(c1)CCCCCC2)Nc1cccc(c1)N1CCNC1=O	EMOLS-id_98066463,PC-id_52250935	369.481	VHIRTQNIUVBYCF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093419
O=C(CC1CN(Cc2cccs2)Cc2cccn2C1)NCc1ccco1	EMOLS-id_313729202	369.481	JHKXHKLKFHREMT-UHFFFAOYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-093420
O=C(CC1CN(Cc2ccsc2)Cc2cccn2C1)NCc1ccco1	EMOLS-id_313733041	369.481	MUFSOJCIJQEVBG-UHFFFAOYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-093421
O=C(C[C@H]1CN(Cc2cccs2)Cc2cccn2C1)NCc1ccco1	ZINC22_585099081	369.481	JHKXHKLKFHREMT-INIZCTEOSA-N	00000000101100000101000000000010000000000000000000000000	31-01-093422
O=C(C[C@@H]1CN(Cc2cccs2)Cc2cccn2C1)NCc1ccco1	ZINC22_585099082	369.481	JHKXHKLKFHREMT-MRXNPFEDSA-N	00000000101100000101000000000010000000000000000000000000	31-01-093423
O=C(C[C@H]1CN(Cc2ccsc2)Cc2cccn2C1)NCc1ccco1	ZINC22_585099115	369.481	MUFSOJCIJQEVBG-KRWDZBQOSA-N	00000000101100000101000000000010000000000000000000000000	31-01-093424
O=C(C[C@@H]1CN(Cc2ccsc2)Cc2cccn2C1)NCc1ccco1	ZINC22_585099116	369.481	MUFSOJCIJQEVBG-QGZVFWFLSA-N	00000000101100000101000000000010000000000000000000000000	31-01-093425
O=C(C(N1CCCc2c(C1)cco2)C)N(Cc1nc2c(s1)cccc2)C	MCULE-4638432221,EMOLS-id_177231011	369.481	UNPVKXFZLPIRAU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093426
N#Cc1c(NC(=O)CNC2CCCn3c2ccn3)sc2c1CCCCC2	EMOLS-id_316725724	369.484	UIGUYAQRKYJHCQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-093485
O=C(N1CCC2(C1)OCc1c2cccc1)Nc1nc2c(s1)CCCCC2	MCULE-2983991450,EMOLS-id_100073226	369.481	XPPRGSQYKAUALI-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-093427
s1c2CCCCCc2cc1C(=O)NN=C(c1cc(NC(=O)C)ccc1)C	PC-id_78620867	369.481	MCIAAMSWUTYAAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093428
s1c2CCCCCc2cc1C(=O)N/N=C(c1cc(NC(=O)C)ccc1)/C	PC-id_8159693	369.481	MCIAAMSWUTYAAT-XKZIYDEJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093429
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc(ccc1)CO)C)C#N	PC-id_60356924	369.481	CZVZZJXWAQWEAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093430
s1c2CCCCCc2c(c1NC(=O)CN(c1c(OC)cccc1)C)C#N	PC-id_55839329	369.481	XSZKRHAUJYXIEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093431
s1c2CCCCCCc2nc1NC(=O)c1ccc(N2CCCC2=O)cc1	PC-id_56021594	369.481	VZLBOJSYCFQUPG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093432
s1c2CCCCCCc2nc1NC(=O)c1ccc(NC(=O)C2CC2)cc1	PC-id_56022363	369.481	VKNKOPSNAFFZKO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093433
s1c2CCCCCCc2nc1NC(=O)Cc1c2c([nH]c1)ccc(OC)c2	PC-id_60571780	369.481	OIJGGEGKNNPIEO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093434
s1c2CCCCCCc2nc1NC(=O)CNC(=O)/C=C/c1ccccc1	PC-id_56022747	369.481	BTOPDPBEDFHDAB-OUKQBFOZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093435
s1c2CCCCCCc2nc1NC(=O)CNC(=O)C=Cc1ccccc1	PC-id_76294619	369.481	BTOPDPBEDFHDAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093436
CC1(CCCNC1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70727059,EMOLS-id_44431293,MCULE-8554406783	369.482	YVYYCQTVZFLRBF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093437
CC1(CCNCC1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82114388,MCULE-5680607562,EMOLS-id_44436425,PC-id_70741388	369.482	OJKYIGJFWNTSSQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093438
CC1CCN(CC1)S(=O)(=O)NCc1cc2CN(CCCn2n1)C(=O)C	ZINC22_82109897,PC-id_70737586,EMOLS-id_44435039,MCULE-4817087523	369.482	WPBOHHXMFUSYBV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093439
C[C@]1(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)CCCNC1	ZINC22_82099879,PC-id_96574058	369.482	YVYYCQTVZFLRBF-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093440
C[C@@]1(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)CCCNC1	ZINC22_82099880,PC-id_96574059	369.482	YVYYCQTVZFLRBF-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093441
CCC1CN(CC(S1(=O)=O)C)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_98817107	369.482	CAZFMAREVOUCJP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093442
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CCCS(=O)(=O)C1	EMOLS-id_99530733	369.482	CZDRLCDJJKHNFU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093443
CCN1CCCC1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70766772,EMOLS-id_44445175,MCULE-3109649246	369.482	INBYGCVYLGXUKU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-093444
CCN1CCC[C@@H]1C(=O)NCc1cc2n(n1)CCCN(S(=O)(=O)C)C2	ZINC22_82137469,PC-id_96579103	369.482	INBYGCVYLGXUKU-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-093445
CCN1CCC[C@H]1C(=O)NCc1cc2n(n1)CCCN(S(=O)(=O)C)C2	ZINC22_82137470,PC-id_96579104	369.482	INBYGCVYLGXUKU-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-093446
CCN(C)S(=O)(=O)NCc1cc2CN(CCCn2n1)C(=O)C1CCC1	ZINC22_82107385,PC-id_70728482,MCULE-1918310510,EMOLS-id_44431809	369.482	TWMBGJAVTKGWRK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-093447
CC(=O)N1CCC(CC1)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	MCULE-1977295248,PC-id_70763816,EMOLS-id_44444161,ZINC22_82136748	369.482	OLSRWVLFFSDQOH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093448
CC(=O)N1CCCn2nc(CNS(=O)(=O)N3CCCCCC3)cc2C1	EMOLS-id_44437879,ZINC22_82116309,MCULE-7396749950,PC-id_70745517	369.482	JPQMQDXYQRIQQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093449
CCS(=O)(=O)N1CCCC(C1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_110497274	369.482	FGCAOVLLTJSTHW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093450
CN1CCCCC1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	MCULE-2674162280,EMOLS-id_44443157,PC-id_70760942	369.482	ROLJQQYWZSFDSM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093451
CN1CCC(CC1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82147117,EMOLS-id_44447959,MCULE-3300235390,PC-id_70774843	369.482	GLDNXOXATUYQFE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093452
CN1CCCC[C@H]1C(=O)NCc1cc2n(n1)CCCN(S(=O)(=O)C)C2	PC-id_96578441,ZINC22_82134103	369.482	ROLJQQYWZSFDSM-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093453
CN1CCCC[C@@H]1C(=O)NCc1cc2n(n1)CCCN(S(=O)(=O)C)C2	ZINC22_82134100,PC-id_96578440	369.482	ROLJQQYWZSFDSM-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093454
CN(CCC(=O)NCc1nnc2CCCCCn12)C1CCS(=O)(=O)C1	MCULE-3970443656,PC-id_91797187,EMOLS-id_55709996	369.482	ILMYSFGQXRIWBW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-093455
CN(CCC(=O)NCc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_223848908,PC-id_100321067	369.482	ILMYSFGQXRIWBW-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-093456
CN(CCC(=O)NCc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_230496773	369.482	ILMYSFGQXRIWBW-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-093457
CSCCC(C(=O)NCc1nn2c(c1)CN(CCC2)C(=O)N(C)C)O	PC-id_102602846	369.482	JQKPUZBVVITQHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093458
CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)NCc1nnc2n1CCCCC2	EMOLS-id_313132853,ZINC22_580145777,MCULE-7942496726	369.482	DBDJEFGLAJPPHP-CHWSQXEVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093459
CS(=O)(=O)N1CCC(CC1)NC(=O)CCc1cc2CNCCCn2n1	PC-id_70764361,MCULE-3841298840,ZINC22_72463456,EMOLS-id_43152502	369.482	RPNGQJWTNZOHEZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093460
CS(=O)(=O)N1CCCN(CC1)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-7564490262,PC-id_121498943,EMOLS-id_177394802,ZINC22_426429895	369.482	YLIZYPRPGQBNAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093461
O=C(CCc1cc2CNCCCn2n1)NCCS(=O)(=O)N1CCCC1	MCULE-1857925835,PC-id_70763155,ZINC22_72462878,EMOLS-id_43150994	369.482	WLVASZVDKIIVDQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-093462
O=C(N1CC(C)S(=O)(=O)C(C1)C)NCCc1nnc2n1CCCCC2	EMOLS-id_99631194	369.482	KYWDWGNUJUVWOV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093463
O=C(N1CCS(=O)(=O)C(C1)C)NCCCc1nnc2n1CCCCC2	EMOLS-id_111084591	369.482	BHPPSZGJNMGQGF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093464
O=C(N1CCS(=O)(=O)CC1C)NCCCc1nnc2n1CCCCC2	EMOLS-id_111111181	369.482	CVLBPYSCLKTFTQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093465
O=C(N1CCS(=O)(=O)C(CC1)(C)C)NCc1nnc2n1CCCCC2	EMOLS-id_101240708	369.482	HAKDBTCWZPBSSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093466
S(=O)(=O)(N1Cc2n(nc(CNC(=O)C3CCN(C3)CC)c2)CCC1)C	PC-id_70706704	369.482	YVHUCGRYARDLMV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-093467
S(=O)(=O)(N1CCCn2nc(cc2C1)CN1CCNC(=O)C1)CCCC	PC-id_56904325	369.482	DJFAXHADZPHUFU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093468
c12CN(CCC)CCCn1nc(CNC(=O)c1ccc3c(c1)ncs3)c2	PC-id_70767174,ZINC22_82137581,EMOLS-id_44445333,MCULE-7574856532	369.484	CBGHYZUJQQOWRQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093469
c12CN(CCC)CCCn1nc(CNC(=O)c1ccc3c(scn3)c1)c2	MCULE-8733968857,EMOLS-id_44437153,ZINC22_82117014,PC-id_70743408	369.484	VTLCXMGIACUSBF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093470
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)[nH]nc(c2ccc(C)s2)c1	EMOLS-id_44719708,PC-id_70740740,ZINC22_91625404,MCULE-9682458368	369.484	VPRGLRNKTDSBFD-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-093471
Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc2c(s1)CCCCC2	PC-id_24235168,CoCoCo_4546253,MCULE-8313856032,ZINC22_12776304,EMOLS-id_17169791	369.484	MLMSPFKJFFJDFF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093472
Cc1nnc2n1CCC(CC2)N(C)C(=O)CCc1nc2ccccc2s1	EMOLS-id_50590448,PC-id_91910790,MCULE-3434592822	369.484	GFNBTWIDLKAHSX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093473
Cc1nnc2n1CCC(CC2)NC(=O)CCCc1nc2ccccc2s1	PC-id_91922578	369.484	JBMVWHAUQAWARQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093474
CCCC1C=CC=c2c(=C1)ccn2Cc1scc(n1)C(=N)NNC(=O)C	SCHEMBL18977825	369.484	AQYQFZBNYDOGBA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-093475
CC(C)c1ccc(c2noc(CSc3nnc4n3CCCCC4)n2)cc1	MCULE-6053944725,EMOLS-id_3662210,ZINC22_7426238,PC-id_8521424,CoCoCo_3892251	369.484	PLMGJVJYGSJHEP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093476
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1cccc2c1scc2	EMOLS-id_97767668	369.484	STMKBAUCQPFSNT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093477
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N(CCC#N)c1ccccc1	ZINC22_6097836,PC-id_7877173,CoCoCo_3081897	369.484	PMXBKCNSXWKRRR-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093478
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N(CCC#N)c1ccccc1	ZINC22_6097839,PC-id_7877175,CoCoCo_3081898	369.484	PMXBKCNSXWKRRR-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093479
CC(=O)c1c(C)[nH]c(c2csc(Cc3nnc4n3CCCCC4)n2)c1C	MCULE-9629108119,CoCoCo_3890596,ZINC22_6551963,PC-id_7997892,EMOLS-id_2885920	369.484	VAOPYHBOQREDOB-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-093480
Cn1cc(SCC(=O)NCc2cc3CNCCCn3n2)c2ccccc12	PC-id_70708179,EMOLS-id_44424637,MCULE-4968440890,ZINC22_82087421	369.484	LHDMTDYLHIRFIE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093481
CN(Cc1nc2ccccc2s1)C(=O)CCc1cc2CNCCCn2n1	PC-id_70741176,MCULE-5570225561,EMOLS-id_43120667,ZINC22_72428801	369.484	KCPFBUKPHZINGA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093482
CN(CCOc1cccc(n1)/C(=N/Nc1nc2c(s1)C=CCC=C2)/C)C	PC-id_145130288	369.484	DVLRBDOCKQVKGY-HYARGMPZSA-N	00000000100000101111000000000010000000000000000000000000	31-01-093483
COc1nsc(c1)CNc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_318336662	369.484	RXFGAWWLCBTHEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093484
BrCC(=O)c1cc(c2-c1ccccc2)C(=O)CBr	PC-id_102327938	370.036	BRKARBXNCANVGY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-093685
N#CCCN(C(=O)C(Sc1nnc2n1CCCCC2)C)c1ccccc1	PC-id_16379670,EMOLS-id_11840516,MCULE-9656047810	369.484	PMXBKCNSXWKRRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093486
O=C(C1CCn2c(CC1)nnc2)Nc1ccc2c(c1)sc(n2)C(C)(C)C	EMOLS-id_319809853	369.484	HZQCJYUMQMARSW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093487
O=C(c1sc2c(c1)CCCCCC2)Nc1cc(nn1C)c1nccn1C	EMOLS-id_100460174	369.484	NQJWUZUZOXACSP-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-093488
O=C(CCc1nc2ccccc2s1)NCCc1nnc2n1CCCCC2	CoCoCo_4559874,PC-id_24247215,ZINC22_14370512,MCULE-8732590262,EMOLS-id_17210662	369.484	OTDRHMCNKYOQBN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093489
O=C([C@@H]1CSC(=N1)c1ccccc1)NCCc1nnc2n1CCCCC2	EMOLS-id_278506145	369.484	RHINHVPGTZMWOS-HNNXBMFYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-093490
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)sc(n2)C(C)C	EMOLS-id_101965359	369.484	CNHCMJRXXJMNAN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093491
O=C(Nc1nc2c(s1)CCCCC2)NCCn1c(C)nc2c1cccc2	PC-id_112825074	369.484	LLPWULWFFBCWAZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093492
s1c2CCCCCc2nc1NC(=O)c1c(n2c(ccc2C)C)n(nc1)C	PC-id_56057278	369.484	RBTXIAXETKWXOB-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-093493
s1c(n2cccc2)c(C(=O)NCc2n3CCCCCc3nn2)c(c1C)C	PC-id_24676735	369.484	PNNJVLDAHKRSFQ-UHFFFAOYSA-N	00000000110100000101100000000010000000000000000000000000	31-01-093494
s1c(nc2c1cccc2)CCCC(=O)NCc1n2CCCCCc2nn1	PC-id_51266254	369.484	AFHVYBMCDGTXNZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093495
s1c(nc2c1cccc2)CCC(=O)N1CCn2c(nnc2C(C)C)CC1	PC-id_56856805	369.484	YKEQIKGFHFJPKS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093496
S(c1n2CCCCCc2nn1)CC(=O)NCCc1c2c([nH]c1)cccc2	PC-id_8379695	369.484	XIABIDMNNUFARU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093497
S(c1n2CCCCCc2nn1)CC(=O)N(CCC#N)c1ccc(cc1)C	PC-id_7876793	369.484	JQPAKUJVZHBVNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093498
S(Cc1n2CCCCCc2nn1)c1n(c2c(n1)cccc2)C(=O)CCC	PC-id_24048973	369.484	PRCKKGXWYCAQFO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093499
Cc1ncsc1CN1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC22_306144723	369.487	ZNEJGYILACSHDQ-HNNXBMFYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-093500
Cc1ncsc1CN1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC22_306144724	369.487	ZNEJGYILACSHDQ-OAHLLOKOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-093501
Cc1ncsc1CN1CC(CCNc2ncccn2)Cn2nccc2C1	EMOLS-id_50374531	369.487	ZNEJGYILACSHDQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-093502
CN(C)c1ncc(CN2CCc3nnc(Cc4cccnc4)n3CC2)s1	EMOLS-id_43166128,ZINC22_72166626,MCULE-2367428744,PC-id_56912234	369.487	HXMNDYZMDOXPDU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093503
c1(NC(=O)CCSC(=O)C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4440829,CoCoCo_1995267,EMOLS-id_4389179,SPECS-id_AH-262/36939024,MCULE-7338674863,STOCK1S-38702,ZINC22_4350938	369.499	WZVGQMRAUSEDLK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-093504
O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)(C(=O)O)S(=O)C	EMOLS-id_316601182	369.499	DTCBERXAEXVMGA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-093505
c1(CN(C)C(=O)c2ccc(cc2)CCC(C)(C)O)c2CCCCCc2[nH]n1	EMOLS-id_43054134,PC-id_56881321,MCULE-3834183228,ZINC22_72406744	369.5	STXCSVMRHGZYSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093506
c1(CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)c2CCCCCc2[nH]n1	MCULE-9696288512,ZINC22_72457150,PC-id_70760123,EMOLS-id_43147010	369.5	OMDDZGRCTJCBLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093507
c1(C(O)C2CCC2)cc2n(CCCN(CCOc3ccc(c(C)c3)C)C2)n1	PC-id_91783402,MCULE-5139039939,EMOLS-id_55669669	369.5	LJMOYGKUWLQMBP-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-093508
c1(C(=O)NCCCN(C(C)C)Cc2ccccc2)c2CCCCCc2on1	CoCoCo_2401433,MCULE-6528974730,PC-id_20923877,CoCoCo_2401434,EMOLS-id_16234855	369.5	ASISDOFHVYHZNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093509
Cc1ccccc1CN1Cc2cccn2C[C@@H](CCOCC(=O)N(C)C)C1	ZINC22_585095053	369.5	BRDORTZAZJGKHH-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-093510
Cc1ccccc1CN1Cc2cccn2C[C@H](CCOCC(=O)N(C)C)C1	ZINC22_585095054	369.5	BRDORTZAZJGKHH-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093511
Cc1cccc(CN2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)c1	ZINC22_585095453	369.5	RBKQMDGPVPJUQD-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093512
Cc1cccc(CN2Cc3cccn3C[C@H](CCOCC(=O)N(C)C)C2)c1	ZINC22_585095454	369.5	RBKQMDGPVPJUQD-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093513
Cc1ccc(OCCN2CCCn3nc([C@@H](O)C4CCC4)cc3C2)cc1C	PC-id_100096002,ZINC22_222431691	369.5	LJMOYGKUWLQMBP-QFIPXVFZSA-N	00001000100000110101000000000010000000000000000000000000	31-01-093514
Cc1ccc(OCCN2CCCn3nc([C@H](O)C4CCC4)cc3C2)cc1C	ZINC22_230568730	369.5	LJMOYGKUWLQMBP-JOCHJYFZSA-N	00001000100000110101000000000010000000000000000000000000	31-01-093515
CC1(OCCO1)CCC(c1nnc2n1CCCCCC2)(c1ccccc1)C	PC-id_142840470	369.5	VTDWTUOXHAAEDU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093516
CC(OC(=O)c1ccc(cc1)CC1CCCCCc2c1nnn2C(C)C)C	PC-id_141666511	369.5	JYPZCMYGSBIJOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093517
CN(C)C(=O)COCCC1CN(Cc2ccccc2C)Cc2cccn2C1	EMOLS-id_313838373	369.5	BRDORTZAZJGKHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093518
CN(C)C(=O)COCCC1CN(Cc2cccc(C)c2)Cc2cccn2C1	EMOLS-id_313838629	369.5	RBKQMDGPVPJUQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093519
s1c2CCCCCc2cc1C(=O)OCc1nc(sc1)c1ccccc1	PC-id_7351958	369.5	OIRMKVGQPHOOKG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093520
CCc1ccc(s1)S(=O)(=O)N1CCCn2c(C1)cc(n2)[C@H](CC)O	PC-id_99974245	369.502	KFDNTOUBBHZZCN-HNNXBMFYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-093521
CCc1ccc(s1)S(=O)(=O)N1CCCn2c(C1)cc(n2)[C@@H](CC)O	PC-id_99974246	369.502	KFDNTOUBBHZZCN-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-093522
CCC(O)c1cc2CN(CCCn2n1)S(=O)(=O)c1ccc(CC)s1	MCULE-5691101870,PC-id_91774444,EMOLS-id_55643656	369.502	KFDNTOUBBHZZCN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-093523
CCN1CCCOCCOCCOCCCN(Cc2nc(C1)[nH]n2)CC	PC-id_101605626	369.502	VODOXHIABMJSJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093524
s1c2c(CCCCC2)c(c1NC(=S)NN1CCOCC1)C(=O)OC	PC-id_19653750	369.502	GELQHXAASIYJEF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093525
c12CN(CCC)CCCn1nc(CNC(=O)N[C@@H](CC)c1ccccc1)c2	ZINC22_82109438,PC-id_70739972,EMOLS-id_44435907,MCULE-9455172578	369.504	AGWZPFJWIFYFEV-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093526
c12CN(CCCn1nc(CN1CCCC(OC)C1)c2)Cc1cccc(C)n1	PC-id_56902567,MCULE-8671067379,EMOLS-id_43137568	369.504	ICIVNPRXBPOPIF-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093527
c12CN(CCCn1nc(CN(C)CCC)c2)C(C)C(=O)Nc1ccccc1	EMOLS-id_43157610,MCULE-2415144872,PC-id_56909337	369.504	NINIAKPSTMUYKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093528
c12CN(CCCn1nc(CNC(=O)CN(C)c1ccccc1)c2)CC(C)C	ZINC22_82100200,MCULE-7320021436,EMOLS-id_44431517,PC-id_70727686	369.504	DPWWDRKAMXBSKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093529
c12CN(CCCn1nc(CNC(=O)Nc1ccc(cc1)CC)c2)CC(C)C	ZINC22_82087826,EMOLS-id_44425211,MCULE-2663498000,PC-id_70709783	369.504	RBXCRQWGBCPSMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093530
c12CN(CCCn1nc(CNC(=O)Nc1cc(C)ccc1C)c2)CC(C)C	MCULE-9838153543,PC-id_70719706,EMOLS-id_44428713,ZINC22_82098378	369.504	FBZCSBGCVAABPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093531
c12CN(CCCn1nc(CNC(=O)Nc1cccc(C)c1C)c2)CC(C)C	PC-id_70785805,EMOLS-id_44451813,MCULE-3431661594,ZINC22_82166255	369.504	MJSRHQUMILYGQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093532
c12CN(CCCn1nc(CNC(=O)Nc1ccc(c(C)c1)C)c2)CC(C)C	ZINC22_82172122,MCULE-2365561371,PC-id_70788902,EMOLS-id_44452873	369.504	WOQDHVKPXUSJIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093533
c12CN(CCCn1nc(CNC(=O)NCc1ccccc1C)c2)CC(C)C	EMOLS-id_44449945,MCULE-7739581901,ZINC22_82157523,PC-id_70780482	369.504	ZBICEKYOEIMBAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093534
c12CN(CCCn1nc(CNC(=O)NCc1ccc(cc1)C)c2)CC(C)C	EMOLS-id_44450311,ZINC22_82160350,PC-id_70781597,MCULE-3892564818	369.504	FTARARNHRUMJPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093535
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1c(C)cc(c(C)c1)C	EMOLS-id_44442057,ZINC22_82127068,MCULE-7476049919,PC-id_70757635	369.504	DTFACJVNYCRQEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093536
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)CCC(C)c1ccccc1	MCULE-4393204416,PC-id_70723895,EMOLS-id_44430211	369.504	GUKHNEBQSSPDNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093537
c12CN(CCCn1nc(CNC(=O)N[C@H](C)c1ccccc1)c2)CC(C)C	MCULE-5027938685,EMOLS-id_44442189,ZINC22_82127334,PC-id_70758010	369.504	ZOQUABCYMZRROO-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093538
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(cc3)C)CCn12	MCULE-7105286337,EMOLS-id_20476757,PC-id_45188175	369.504	OPWHWTOKZOYMJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093539
c1(c(C)nc(c2ccccc2)s1)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-2252217526,EMOLS-id_323294225	369.504	FFMLWUDHHHZFCS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093540
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(cc3C)C)CCn12	EMOLS-id_20586477,PC-id_45213368,ChEMBL-DNDi_CHEMBL47190780,MCULE-3261128989	369.504	ZRVQFZDLSRGTJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093541
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3cc(C)ccc3C)CCn12	ChEMBL-DNDi_CHEMBL10915321,EMOLS-id_20394658,MCULE-4556850474,PC-id_45169185	369.504	FOPXUDOUFOSDCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093542
c1(C(=O)Nc2sc3c(CCCCC3)n2)nc(sc1c1ccccc1)C	MCULE-3490335014,EMOLS-id_323449859	369.504	NSYMGWMDRULMQM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093543
c1(NC(=O)Cc2csc(c3ccccc3)n2)sc2c(CCCCC2)n1	EMOLS-id_320533300,MCULE-1553803533,PC-id_24603976	369.504	FIXMLCDYXIBGDC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093544
c1(NC(=S)NC(=O)c2ccccc2C)sc2c(CCCCC2)c1C#N	TIMTEC272544,ZINC22_2775591,PC-id_4125944,CoCoCo_5836961,EMOLS-id_5129879,MCULE-5426091555	369.504	KTONBBOIFGMBBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093545
c1(NC(=S)NC(=O)c2ccccc2)sc2c(CCCCCC2)c1C#N	MCULE-7991685258,PC-id_1932962,EMOLS-id_4457033,CoCoCo_1740187,STOCK2S-75254,ZINC22_2316366	369.504	VSXGWANRHZIZEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093546
c1(sc(nc1c1ccccc1)C)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-8623157286,EMOLS-id_323481742	369.504	HXWAFNMKWOYHDH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093547
Cc1ccc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c1	CoCoCo_1124677,ZINC22_23128977,CoCoCo_1124676,PC-id_30852425	369.504	FOPXUDOUFOSDCF-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093548
Cc1ccc(C)c(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c1	CoCoCo_1124678,CoCoCo_1124679,PC-id_30852424,ZINC22_23128976	369.504	FOPXUDOUFOSDCF-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093549
Cc1ccc(CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)c(C)c1	ZINC22_20774906,CoCoCo_1282695,EMOLS-id_20507963,MCULE-7566060084,CoCoCo_1282694,PC-id_29149887,ChEMBL-DNDi_CHEMBL29419769	369.504	LHHURYHRVYNRLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093550
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(C)c1	CoCoCo_1398090,CoCoCo_1398091,ZINC22_19222869,PC-id_28098440	369.504	ZRVQFZDLSRGTJB-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093551
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c(C)c1	PC-id_28098439,ZINC22_19222866,CoCoCo_1398092,CoCoCo_1398093	369.504	ZRVQFZDLSRGTJB-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093552
Cc1cc(O)c(CN2CCN(Cc3nnc4n3CCCCC4)CC2)cc1C	ZINC22_32888228,EMOLS-id_44038839,CoCoCo_4552876,MCULE-3898749184,CoCoCo_4552875,PC-id_40123263	369.504	MLBOYPJEJCNAQJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093553
Cc1onc(c1CN1CCCn2c(C1)cc(n2)CN1C[C@H]2C[C@@H]1CCC2)C	PC-id_56899414,MCULE-3452756678,EMOLS-id_313084287	369.504	DFVHYCLSTBINBJ-MJGOQNOKSA-N	00000010100010000101000000000110000000000000000000000000	31-01-093554
CCc1ccc(cc1)C(N(C)C)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318359881	369.504	CKTAOQIEBWGCNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093555
CCc1ccccc1NC(=O)N1CCCn2cnc(CN(C)C(C)C)c2C1	EMOLS-id_44370058,PC-id_97519340,ZINC22_96259256	369.504	DGLQVHQEANAFMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093556
CCc1ccc(CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)cc1	CoCoCo_1318571,PC-id_29212438,ZINC22_20909356,EMOLS-id_20532799,CoCoCo_1318572,ChEMBL-DNDi_CHEMBL34627042,MCULE-7156614539	369.504	YRVAKMOMWWBNOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093557
CCc1cccc(NC(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)c1	EMOLS-id_44370060,ZINC22_96259257,PC-id_97519341	369.504	KDAJDSMDKONIFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093558
CCc1ccc(NC(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)cc1	ZINC22_96259258,PC-id_97519342,EMOLS-id_44370062	369.504	RWBBEADLHXUXBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093559
C=C/C=C
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CC(CC(c1nnc2n1CCN(CC2)Cc1ccc(cc1)C)NC(=O)C)C	PC-id_45193294,ChEMBL-DNDi_CHEMBL27619122	369.504	RZSBSJDBLUJXTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093561
CC(CC(c1nnc2n1CCN(CC2)Cc1cccc(c1)C)NC(=O)C)C	PC-id_45201718,ChEMBL-DNDi_CHEMBL35316438	369.504	UHZSOTXCFNZLRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093562
CCC(C)C(=O)NCc1nnc2CCN(Cc3cc(C)ccc3C)CCn12	MCULE-7016994260,EMOLS-id_20466365,PC-id_45185788	369.504	DOHQRESMDHGNIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093563
CC(C[C@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)C)NC(=O)C)C	CoCoCo_1269878,PC-id_29087562,CoCoCo_1269877	369.504	RZSBSJDBLUJXTB-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093564
CC(C[C@@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)C)NC(=O)C)C	CoCoCo_1269879,CoCoCo_1269880,PC-id_29087563	369.504	RZSBSJDBLUJXTB-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-093565
CC(C[C@H](c1nnc2n1CCN(CC2)Cc1cccc(c1)C)NC(=O)C)C	CoCoCo_1323296,CoCoCo_1323295	369.504	UHZSOTXCFNZLRF-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093566
CC(C[C@@H](c1nnc2n1CCN(CC2)Cc1cccc(c1)C)NC(=O)C)C	CoCoCo_1323297,CoCoCo_1323298	369.504	UHZSOTXCFNZLRF-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-093567
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(C)ccc1C)CC2	CoCoCo_1223075,CoCoCo_1223073,ZINC22_11783532	369.504	DOHQRESMDHGNIW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093568
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(C)ccc1C)CC2	CoCoCo_1223076,CoCoCo_1223074,ZINC22_11783531	369.504	DOHQRESMDHGNIW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093569
CC[C@@H](C(=O)NCc1nnc2n1CCN(CC2)CCCc1ccccc1)C	CoCoCo_1308293,CoCoCo_1308295	369.504	DGXMQANLMUARGJ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093570
CC[C@H](C(=O)NCc1nnc2n1CCN(CC2)CCCc1ccccc1)C	CoCoCo_1308296,CoCoCo_1308294	369.504	DGXMQANLMUARGJ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093571
CCCN(C)Cc1cc2n(n1)CCCN([C@H](C)C(=O)Nc1ccccc1)C2	PC-id_98771392,ZINC22_106994897	369.504	NINIAKPSTMUYKI-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093572
CCCN(C)Cc1cc2n(n1)CCCN([C@@H](C)C(=O)Nc1ccccc1)C2	ZINC22_72162032,PC-id_95724018	369.504	NINIAKPSTMUYKI-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093573
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(C)cc1)CC2)C(C)C	ZINC22_11869125,CoCoCo_1238012,CoCoCo_1238013	369.504	OPWHWTOKZOYMJQ-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093574
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(C)cc1)CC2)C(C)C	ZINC22_11869127,CoCoCo_1238011,CoCoCo_1238010	369.504	OPWHWTOKZOYMJQ-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093575
C[C@H](c1nnc2n1CCN(CC2)CC(C)(C)C)NC(=O)c1ccccc1C	CoCoCo_1119636,CoCoCo_1119637	369.504	BZXPWCUECFTKKZ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093576
C[C@@H](c1nnc2n1CCN(CC2)CC(C)(C)C)NC(=O)c1ccccc1C	CoCoCo_1119638,CoCoCo_1119639	369.504	BZXPWCUECFTKKZ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093577
C[C@H](CCN1CCCn2nc(CNC(=O)N(C)C)cc2C1)c1ccccc1	PC-id_96573697,ZINC22_82098577	369.504	GUKHNEBQSSPDNZ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093578
C[C@@H](CCN1CCCn2nc(CNC(=O)N(C)C)cc2C1)c1ccccc1	ZINC22_82098576,PC-id_96573696	369.504	GUKHNEBQSSPDNZ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093579
CO[C@@H]1CCCN(Cc2cc3n(n2)CCCN(Cc2cccc(C)n2)C3)C1	ZINC22_106982137,PC-id_98770999	369.504	ICIVNPRXBPOPIF-OAQYLSRUSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093580
CO[C@H]1CCCN(Cc2cc3n(n2)CCCN(Cc2cccc(C)n2)C3)C1	ZINC22_72147120,PC-id_95716357	369.504	ICIVNPRXBPOPIF-NRFANRHFSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093581
N#Cc1c(NC(=O)C[N@H+]2CCn3c([C@@H]2C)ccc3)sc2c1CCCCC2	GD-id_ZINC15416372	369.504	ZGSJSIHVIKTUOT-AWEZNQCLSA-O	00000000100010000101000000010010000000000000000000000000	31-01-093582
o1nc(c(CN2Cc3n(nc(CN4C5CC(C4)CCC5)c3)CCC2)c1C)C	PC-id_76427140	369.504	DFVHYCLSTBINBJ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-093583
O=C(c1ccc(nc1C)c1cccs1)Nc1nc2c(s1)CCCCC2	PC-id_112807885	369.504	WWYBPSQCSIGJRJ-UHFFFAOYSA-N	00000000100100101101100000000010000000000000000000000000	31-01-093584
O=C(C(C)C)NCCc1nnc2n1CCN(CC2)Cc1cc(C)ccc1C	CoCoCo_1191673,PC-id_26274909,ChEMBL-DNDi_CHEMBL18000121,CoCoCo_1191674	369.504	CQOQFIKXDXMAOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093585
O=C(C(C)C)NCCc1nnc2n1CCN(CC2)CCCc1ccccc1	ChEMBL-DNDi_CHEMBL13914185,CoCoCo_1154142,CoCoCo_1154143,PC-id_42435077	369.504	PHHSPOCMKIVRAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093586
O=C(N(Cc1n2CCCCCc2nn1)c1c(cccc1C)C)NCCCC	PC-id_7566007	369.504	IUVXPIZOYUFSMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093587
O=C(N(Cc1n2CCCCCc2nn1)c1c(c(ccc1)C)C)NCCCC	PC-id_7566022	369.504	GOXKHLDFLMHYFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093588
O=C(N(Cc1n2CCCCCc2nn1)c1c(cc(cc1)C)C)NCCCC	PC-id_7566047	369.504	PQVBFSFINANTLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093589
O=C(N(Cc1n2CCCCCc2nn1)c1ccc(cc1)CC)NCCCC	PC-id_7566051	369.504	YKKVLYZGQUEDHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093590
O=C(N(Cc1n2CCCCCc2nn1)c1c(ccc(c1)C)C)NCCCC	PC-id_7566068	369.504	CSCKPGXLOCTOJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093591
O=C(N(Cc1n2CCCCCc2nn1)c1cc(c(cc1)C)C)NCCCC	PC-id_7566072	369.504	BLUSTZXLTPLWBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093592
O=C(N(Cc1n2CCCCCc2nn1)c1cc(cc(c1)C)C)NCCCC	PC-id_7566099	369.504	ZLWXMCDRGXQFPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093593
O=C(N(Cc1n2CCCCCc2nn1)c1cc(CC)ccc1)NCCCC	PC-id_7566031	369.504	YCYUPUUIZNQXKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093594
O=C(N(Cc1n2CCCCCc2nn1)c1c(CC)cccc1)NCCCC	PC-id_7566169	369.504	YWZDQRTYEAITPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093595
O=C(NCc1n2CCN(CCc2nn1)CCCc1ccccc1)C(CC)C	PC-id_45199292	369.504	DGXMQANLMUARGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093596
O=C(NC(c1n2CCN(CC(C)(C)C)CCc2nn1)C)c1c(cccc1)C	PC-id_45168284	369.504	BZXPWCUECFTKKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093597
O=C(NCc1nn2CCCN(Cc2c1)CC(C)C)NC(c1ccccc1)C	PC-id_78082845	369.504	ZOQUABCYMZRROO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093598
O=C(NCc1nn2CCCN(Cc2c1)CCC)NC(CC)c1ccccc1	PC-id_77850827	369.504	AGWZPFJWIFYFEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093599
O=C(NC(C(C)(C)C)c1ccccc1)NCCc1n2CCCCCc2nn1	PC-id_55793801	369.504	ABUJNOSNRIUKEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093600
s1c2CCCCCc2cc1C(=O)Nc1sc(nn1)Cc1ccccc1	PC-id_7943926	369.504	HHKPNFSWGABLQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093601
s1c2CCCCCc2nc1NC(=O)c1ccc(cc1)c1scc(n1)C	PC-id_56242677	369.504	UASMJOFGKQMQHR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093602
s1c2CCCCCCc2cc1C(=O)Nc1scc(n1)c1cccnc1	PC-id_8123686	369.504	JFKALMLPPGGTMO-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-093603
s1c2CCCCCCc2cc1C(=O)Nc1scc(n1)c1ccncc1	PC-id_8123811	369.504	PFCDUXCMQVDSTL-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-093604
CCS(=O)(=O)N1CCCn2nc(CN(C)Cc3nccs3)cc2C1	PC-id_56902015,EMOLS-id_43135924,ZINC22_72438693,MCULE-6298812958	369.505	WGDZPNWVSDSZSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093605
CCS(=O)(=O)NCC[C@@H]1CN(Cc2nccs2)Cc2ccnn2C1	ZINC22_306141277	369.505	VQLRPSQZQQHCIS-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093606
CCS(=O)(=O)NCC[C@H]1CN(Cc2nccs2)Cc2ccnn2C1	ZINC22_306141278	369.505	VQLRPSQZQQHCIS-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093607
c12CN(CCCC)CCCn1nc(CN1CCN(CC1)c1ncccn1)c2	MCULE-7779500608,ZINC22_72166852,EMOLS-id_43166832,PC-id_56912474	369.507	MWEWEXCZHXXOJO-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-093608
CCN1C(=CS/C/1=C(c1nnc2n1CCCCC2)/C#N)c1cccs1	CoCoCo_3825236,PC-id_2316664	369.507	FJMJPYQDPVVTKP-AQTBWJFISA-N	00000011100100000101100000000010000000000000000000000000	31-01-093609
CCN1C(=CS/C/1=C(/c1nnc2n1CCCCC2)C#N)c1cccs1	CoCoCo_3825237,PC-id_2316665	369.507	FJMJPYQDPVVTKP-QGOAFFKASA-N	00000011100100000101100000000010000000000000000000000000	31-01-093610
CCN1C(=CSC1=C(c1nnc2n1CCCCC2)C#N)c1cccs1	PC-id_4104839,MCULE-8562600950	369.507	FJMJPYQDPVVTKP-UHFFFAOYSA-N	00000011100100000101100000000010000000000000000000000000	31-01-093611
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccccn1	PC-id_111192352	369.507	LPGMEVZSJTURMY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093612
N1NC(CC1C(C)(C)C)CN1CCn2c(nnc2Cc2cccnc2)CC1	PC-id_76440397	369.507	ZYNJFEXNOJCRNE-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-093613
S=c1n2CCCCCc2nn1C[NH+](Cc1cn(nc1)c1ccccc1)C	PC-id_9321898	369.507	UJJGLXGKKZYPFD-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-093614
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)OCCC1CCCC1	SCHEMBL6991806,PC-id_53668314	369.52	AYDIGHOBHMNOFR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-093615
s1c2CCCCCCCCCCc2nc1NC(=O)CNCC(O)CO	PC-id_43904255	369.522	ZESDIVBVGHSZOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093616
C=CC/C(=c/1c(=C/C)sc2c1N=CN(CC2=O)/C(=C/C)/C=CC)/N(C)C	PC-id_143488107	369.524	IIQBRROODSTMQK-GCBCGAAASA-N	00000000100000000111000000000010000000000000000000000000	31-01-093617
s1c2c(CCCCC2)cc1C(=O)NC1CCN(CC1)Cc1ncccc1	PC-id_55858600	369.524	XPDCTCOPTIMDRI-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-093618
s1c2CCCCCc2cc1C(=O)NCc1c(N2CCCCC2)nccc1	PC-id_56131436	369.524	YBFIZUUZRCVXKP-UHFFFAOYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-093619
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)Cc1cccnc1	PC-id_60360526	369.524	MZROOTOXOONWBG-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093620
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)Cc1ccncc1	PC-id_9226370	369.524	PPWXINGCMONUGK-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093621
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)Cc1ncccc1	PC-id_40407432	369.524	DVSIJYJVDOZZKI-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093622
s1c2c(c(CN3CCNCC3)c1NC(=O)c1ccccc1)CCCCC2	PC-id_570541	369.524	KGCYRPHHESKSGG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093623
S(c1n2CCCCCc2nn1)CC(=O)c1ccc(C2CCCCC2)cc1	PC-id_7876934	369.524	XZLWOECJLCUJHY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093624
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)CC1(C)CCN(CC1)C	PC-id_70782869,ZINC22_82160922,MCULE-9918025179,EMOLS-id_44450799	369.525	FMTRZKXSUHZSTQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093625
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)CC1CCCN(CC)C1	MCULE-1634704405,PC-id_70757478,EMOLS-id_44442011	369.525	QPNJZNHCZGXNTO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093626
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(CC=CC(C)C)CCn12	MCULE-8979578326,PC-id_75101557	369.525	YHLHALKOMOHLIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093627
CCC(c1nnc2n1CCCCC2)NS(=O)(=O)N1CC(C)CC(C1)C	EMOLS-id_318153956	369.525	FILQMXPPFBEPKG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093628
CC(C)/C=C/CN1CCc2nnc([C@H](NS(=O)(=O)C)C(C)C)n2CC1	CoCoCo_1516377,ZINC22_12328543,CoCoCo_1516375	369.525	YHLHALKOMOHLIU-FYCOFBDGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093629
CC(C)/C=C/CN1CCc2nnc([C@@H](NS(=O)(=O)C)C(C)C)n2CC1	CoCoCo_1516379,CoCoCo_1516381,ZINC22_12328538	369.525	YHLHALKOMOHLIU-MOEXGYKKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093630
CC(C)/C=C/CN1CCc2nnc(C(NS(=O)(=O)C)C(C)C)n2CC1	EMOLS-id_232768686,PC-id_45231969	369.525	YHLHALKOMOHLIU-VOTSOKGWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093631
CC(/C=CCN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NS(=O)(=O)C)C	CoCoCo_1516376,CoCoCo_1516374	369.525	YHLHALKOMOHLIU-MWWKQMNYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093632
CC(/C=CCN1CCc2n(CC1)c(nn2)[C@H](C(C)C)NS(=O)(=O)C)C	CoCoCo_1516380,CoCoCo_1516378	369.525	YHLHALKOMOHLIU-WLMCBFPDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093633
CCCN1CCC(CC1)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70773341,ZINC22_82146076,MCULE-8085948871,EMOLS-id_44447409	369.525	JRIOEQJFGUCDCZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093634
CCN1CCC[C@@H](CN2CCCn3nc(CNS(=O)(=O)C)cc3C2)C1	PC-id_96578005,ZINC22_82126984	369.525	QPNJZNHCZGXNTO-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093635
CCN1CCC[C@H](CN2CCCn3nc(CNS(=O)(=O)C)cc3C2)C1	ZINC22_82126981,PC-id_96578004	369.525	QPNJZNHCZGXNTO-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093636
CC1=C2C(=CC(=CC=C1)C(C)C)C(=CC2=CC=Cc1ccc(cc1)N(C)C)C	PC-id_91193145	369.542	XHEOVFFYYSYPSW-UHFFFAOYSA-N	00000011000000110110000000000010000000000000000000000000	31-01-093637
CC(c1ccc(c2-c(c1)c(C)cc2/C=C/C=C/c1ccc(cc1)N(C)C)C)C	PC-id_101475399	369.542	QNHRKGWLRYHVBV-FIFLTTCUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-093638
N(c1ccc(/C=C/C=C/2C3=C(C(=C2)C)C=C(C(C)C)C=CC=C3C)cc1)(C)C	PC-id_59933562	369.542	XHEOVFFYYSYPSW-FQAMHSIZSA-N	00000011000000110110000000000010000000000000000000000000	31-01-093639
S1(=O)(=O)CC(N(CCC)C(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_55330151	369.542	JJTCVTCFQJNDAC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-093640
CCN(CCN(c1ccc(cc1)C)C)CCCc1onc2c1CCCCC2	PC-id_141879949	369.543	DPYHBUGSHYOQHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093641
CCCCc1nc2n(c1CN(CCCC)CCC)CC=CC(=C2)/C=C/C=O	PC-id_143648052	369.544	HTNXINYJQOSHDQ-ZRDIBKRKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-093642
CCC1CN(CC(S1=O)C)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98981701	369.545	ASJRPMBQFKTEPW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093643
CSC1(CCOCC1)CNC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103881	369.545	NZQJAHNIPQCUHP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093644
OCCN(C(=O)Nc1sc2c(n1)CCCCCC2)C1CCSCC1	EMOLS-id_98450249	369.545	QHFFJAMDFPBLAP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-093645
O=C(N1CCS(=O)C(CC1)(C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101598582	369.545	IAYVOMFRXCQMDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093646
s1c2c(CCCCC2)c(c1NC(=S)NCCCN(C)C)C(=O)OC	PC-id_19652025	369.545	HUFYUBJDOUQPRL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-093647
s1c2c(CCCCC2)c(c1NC(=S)NCCN(C)C)C(=O)OCC	PC-id_20174203	369.545	LNJBBRJAZBMTNY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-093648
s1c2c(CCCCCC2)c(c1NC(=S)NCCN(C)C)C(=O)OC	PC-id_20174196	369.545	PVHFPJTUPYIFNK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-093649
CCC(c1nnc2n1CCCCC2)NC(=O)CN1CSCCSC1	EMOLS-id_316547852	369.548	UZUGZZVHOVDVGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093650
S1CC(NCc2nn3c(CN(CCC3)C(=O)N(C)C)c2)CSCC1	PC-id_70741970	369.548	AOEGEALSSFMVOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093651
S1CCOCCOCCOCCOCCSc2sc[s+]c12	PC-id_10506105	369.563	VUXGEQGHJXHETM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093652
O=Cc1c2-c(c(c1[Si](C(C)(C)C)(C)C)/C=[N+](/C(C)(C)C)[O-])ccccc2	PC-id_140655867	369.573	CLIWTGIHZXZSEJ-UCQKPKSFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-093653
[Si](C(C)(C)C)(c1c(c2-c(c1/C=[N+]([O-])/C(C)(C)C)ccccc2)CC)(C)C	PC-id_71522906	369.616	WMNHSRCYMIICTK-JLPGSUDCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-093654
[Si](C(C)(C)C)(c1c(c2-c(c1/C=[N+](/[O-])C(C)(C)C)ccccc2)CC)(C)C	PC-id_71566486	369.616	WMNHSRCYMIICTK-LFVJCYFKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-093655
[Si](C(C)(C)C)(c1c(c2-c(c1C=[N+]([O-])C(C)(C)C)ccccc2)CC)(C)C	PC-id_78097276	369.616	WMNHSRCYMIICTK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-093656
ClC(Cl)(Cl)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)N	PC-id_3584087	369.694	PMLVMSBYWOUUGO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-093657
Brc1ccc(CC(Cl)c2sc3c(CCCCC3)c2)cc1	PC-id_63520069	369.747	DPBPBMWBHDPTFM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093658
Brc1cc(CC(Cl)c2sc3c(CCCCC3)c2)ccc1	PC-id_63543214	369.747	GMXGGHKXUYSFMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093659
BrC(c1sc2c(CCCCC2)c1)Cc1ccc(Cl)cc1	PC-id_63543470	369.747	XQVASWOPRLHZDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093660
BrC(c1sc2c(CCCCC2)c1)Cc1cc(Cl)ccc1	PC-id_63529253	369.747	LJQQPWLMMCYKAC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093661
BrC(c1sc2c(CCCCC2)c1)Cc1c(Cl)cccc1	PC-id_63542373	369.747	GFNGNWVREIOTKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093662
Clc1cc(C(=O)N2CC(c3c([nH]c(c3)C#N)C(=C2)C(=O)O)(C)C)ccc1	SCHEMBL4228923,PC-id_68965581	369.802	SGGSREBHDHUKSB-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-093663
COc1ccc(Cl)cc1NS(=O)(=O)c1cc2C(=O)NCCCn2c1	EMOLS-id_33086304,PC-id_53182796,MCULE-2133979147	369.823	PSQVKMRNMKRACY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093664
COc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)cc1Cl	PC-id_53182770,MCULE-1569044955,EMOLS-id_33086190	369.823	JMARLRMEORNJBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093665
CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316708861	369.827	ZFKBRCKAQHZLER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093666
Cc1cc(cc(c1OC(C)c1nnc2n1CCS(=O)(=O)CC2)C)Cl	MCULE-9593964689,PC-id_136557086,EMOLS-id_316952394	369.866	QAQTZYDZOBYJHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093667
Cc1cc(Cl)ccc1OCCCc1nnc2n1CCS(=O)(=O)CC2	ZINC22_630951764,PC-id_136557077,EMOLS-id_316949578,MCULE-7058020411	369.866	OTONEUKMSJYNAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093668
Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc2n1CCS(=O)(=O)CC2	ZINC22_630951894	369.866	QAQTZYDZOBYJHI-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093669
Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc2n1CCS(=O)(=O)CC2	ZINC22_630951895	369.866	QAQTZYDZOBYJHI-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093670
COc1cc(C)c(cc1Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950905	369.866	ZOSYQJSTXJFXFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093671
CC(c1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)Cl)C	EMOLS-id_102028604	369.87	YHZJDMJZXYVNPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093672
c1(NC(=O)c2ccc(Cl)s2)sc2c(CCCCC2)c1C(=O)OC	PC-id_4061344,ChEMBL-DNDi_CHEMBLF0882-1269,EMOLS-id_5475014,MCULE-1747462361,CoCoCo_5018648,ZINC22_4194743	369.886	YZIDBQCPYOHTAY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093673
C1CCN(CC1)C(=O)c1c2CCCCC(=Cc3ccc(cc3)Cl)c2n[nH]1	PC-id_87074955,SCHEMBL176864	369.888	IJCAQKBKKAESFT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093674
Clc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2C(=O)N1CCCCC1	PC-id_58882589,SCHEMBL176863	369.888	IJCAQKBKKAESFT-JQIJEIRASA-N	00000000100010110101000000000010000000000000000000000000	31-01-093675
CNC(=O)[C@H](C(C)(C)C)NC(=O)Cc1nc(n2c1CN(C)CCC2)Cl	PC-id_140172265	369.89	ZTMCOMTVQBJFRA-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093676
Clc1ccc(cc1)c1ccc(cc1)CN1CCc2c(CC1)nc(s2)N	PC-id_101651019	369.911	VVIAZLWMFNCACG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093677
Clc1ccc(cc1)C(c1ccccc1)Sc1nnc2n1CCCCC2	EMOLS-id_43775500,MCULE-8929669751,PC-id_17478788	369.911	RNXLWANBOVVBBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093678
Clc1ccc([C@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1	CoCoCo_3081846,PC-id_7877120,ZINC22_6097770	369.911	RNXLWANBOVVBBX-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093679
Clc1ccc([C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1	PC-id_7877118,ZINC22_6097767,CoCoCo_3081847	369.911	RNXLWANBOVVBBX-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-093680
Clc1ccc(C2=CCN(CCCc3n4CCCCCc4nc3)CC2)cc1	SCHEMBL7949032,PC-id_59939367	369.931	SWKBNFPCFVZFOJ-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-093681
Clc1ccc(C2=CCN(CCCc3n[nH]c4c3CCCCC4)CC2)cc1	PC-id_17773115,SCHEMBL5772451	369.931	WQFVTKXELOKZIH-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-093682
CN1C(=O)C(I)CCn2c1cc(n2)Br	SCHEMBL18366660	369.985	ACOMWAQTGLLAAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093683
BrC(=Cc1c2-c(c(c1)C(=O)OC)ccccc2)Br	PC-id_86041247	370.036	DKJBBJHZPANFCT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-093684
C[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=NC=C3)Cl	PC-id_165164761	370.05	ITCANGOFDBBBBL-QMMMGPOBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093686
BrC(Br)C(=O)c1c2-c(c(CCC)c1)ccccc2	PC-id_10992275	370.079	SLGGPYQJBAFIGI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-093687
CS(=O)(=O)N(CC1=CC=CC=C1Cl)CC2=NN=C3N2CCOCC3	PC-id_154772186,EMOLS-id_317359636,MCULE-4383345799	370.087	ZFQKRIRISJSDQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093688
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=CC(NS2=O)C=C	PC-id_154682255	370.09	OOTHQCMQBFBOAG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093689
BrCC1(COc2c(OC1)c(sc2C)C)CBr	PC-id_20726171	370.101	IGAVXAYOASVBJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093690
CCCCCCc1cc(Br)c2-c(cc1Br)ccc2	PC-id_102306166	370.122	MMNPUDCYZOPBLG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-093691
C1CN(CC2=CC(=NN2C1)CO)C(=O)NC3=CC4=C(C=C3)C(=NN4)C(=O)O	PC-id_154801792	370.139	HMKYGLJJGNLQQW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093692
CCC1CNN(C(=C)C2=CSC=C12)/C(=C/C3=C(CCC(=C3)S)C=C)/C	PC-id_155084402	370.154	AUKITNZVBUHJMK-NTEUORMPSA-N	00000000100011000101000000000010000000000000000000000000	31-01-093693
CN1C(=O)N2CC[C@H](CCC2=N1)N(C)CC3=CC(=CC=C3)OC(F)(F)F	PC-id_164635103	370.162	NFQDOXMZVKZHDL-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093694
Ic1ccc(cc1)Cn1oc2c(c1=O)CCNCC2	BindingDB_PC-id_71720623,PC-id_71720623	370.186	FKXIIGYVOKUNNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093695
Ic1cccc(c1)Cn1oc2c(c1=O)CCNCC2	PC-id_71718791,BindingDB_PC-id_71718791	370.186	WXDHBRNRXDDXOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093696
Ic1ccccc1Cn1oc2c(c1=O)CCNCC2	PC-id_71720624,BindingDB_PC-id_71720624	370.186	JZNMNGVJKQNDNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093697
CCOC(=O)C1=CN2CCCN(CC2=C1)C(=O)OCC3=CC(=CC(=C3)C)C	PC-id_160664243	370.189	RMBQKRITHQNLPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093698
C1CNCC2=CC(=NN2C1)CN3CCN(CC3)C(=N)C4=CC=CC=C4S	PC-id_155181744	370.194	VCWLEPHCPHVIAV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093699
C1CCC2=NN=C(N2CC1)COC3=CC=C(C=C3)O[C@H]4CCCCNC4=O	PC-id_164633303,ZINC22_278637464	370.2	LCVRBNLDRMMRIY-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093700
C1CN(CCN2C1=NC(=N2)CC3=CC=CC=C3)C(=O)C4(CCOCC4)CO	PC-id_165426010	370.2	BVEBTORXMLFXJN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093701
Brc1cc([N+](=O)[O-])c(Sc2n3CCCCCc3nn2)nc1	PC-id_61373981	370.225	QFKPHNUXCYYKQE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093702
CN1C=CC2=C1CCCN(C2)CCCN3CCN(CC3)C4=CC=C(C=C4)F	PC-id_154392795	370.253	NIGBSTHMRARHEU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093703
O=C1C=CC(=O)Oc2n(O1)cc(n2)C(c1cccc(c1F)C(F)(F)F)C	PC-id_142688250	370.255	XHDWUMWBZLOCTI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093704
Brc1cccc(c1)CS(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99300580	370.261	RZHNEGBAGAKESY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093705
Brc1ccc(cc1)CS(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99303134	370.261	JWMWJGGEEWSZNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093706
Cc1ccc(c(c1)Br)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99299410	370.261	ICLUFTYKIHIBIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093707
Cc1cccc(c1Br)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99301726	370.261	BVQTXZZJCZSWJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093708
Cc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cco2)Br	EMOLS-id_99308918	370.261	JEZRKIQUJAAUQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093709
Brc1ccccc1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945913	370.265	ZYTYRQYJEBUTCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093710
Brc1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945964	370.265	AHSFCMCHHSEPFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093711
Brc1cccc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946024	370.265	VZGKLCNSXOXLGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093712
Brc1ccc(s1)C(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102158278	370.268	NNDLMHSYQACBFB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-093713
CCc1sc(cc1Br)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102176453	370.268	BITXTJPTNSIODB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-093714
O=C(c1c(Br)sc(c1C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102177863	370.268	MKAWZCTVLGIUKP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-093715
Brc1c(scc1)C(=O)CN1c2c(scc2)CCCC1=O	PC-id_63748109	370.285	UXXXMGKHFBAWKB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093716
Brc1sc(C(=O)CN2c3c(scc3)CCCC2=O)cc1	PC-id_63749507	370.285	FQQUPOOTZANMNS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093717
Clc1cc(C=CCN2CCc3sc(nc3CC2)N)cc(Cl)c1O	PC-id_54276453	370.297	RNTFBTFSTVPZKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093718
Clc1cc(/C=C/CN2CCc3sc(nc3CC2)N)cc(Cl)c1O	SCHEMBL7291891,PC-id_19985739	370.297	RNTFBTFSTVPZKK-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093719
Nc1nc2CCCCC(C(=O)NCc3ccc(Cl)cc3Cl)c2s1	PC-id_78318714,SCHEMBL15903840,BindingDB-id_412952,BindingDB_PC-id_78318714	370.297	ZOCYHFYCWXDQHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093720
Brc1c(n(nc1C)CC)CSc1n2CCCCCc2nn1	PC-id_65871385	370.311	CFQSOSYBOIEWMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093721
Brc1c(n(nc1CC)C)CSc1n2CCCCCc2nn1	PC-id_65879651	370.311	AJHVMXQGIAJTTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093722
c1(ccc(=O)n(CC(=O)N2CCCn3nc(CO)cc3C2)c1)C(F)(F)F	PC-id_91797989,EMOLS-id_55712438,MCULE-2569475636	370.326	GICUGBBXSZULSV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093723
FC(Oc1ccc(cc1F)NC(=O)Cn1nc2n(c1=O)CCCCC2)F	PC-id_87026033	370.326	INLJKWKXBWEAEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093724
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cccc(c1)OC(F)(F)F	EMOLS-id_318432314	370.326	FQJRJDZRHIGEKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093725
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(OC(F)(F)F)cc1	MCULE-6778351569,EMOLS-id_16719059,ZINC22_12899572,CoCoCo_4406359,PC-id_17514659	370.326	SRBJOIAPBQGFFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093726
Brc1cc(sc1)CNC(=O)c1sc2CCCCCc2c1	PC-id_64306099	370.328	MIYOKIAURKLFAW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093727
Brc1c(scc1)CNC(=O)c1sc2CCCCCc2c1	PC-id_80480961	370.328	OBIVLCPTOCYFBE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093728
Brc1sc(CNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_64305145	370.328	FPHOKPQZQOPOAA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093729
COC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(C(F)(F)F)(O)C	PC-id_140762622	370.345	BSWVHQTYEBTCKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093730
COC(=O)c1n(C)cc2c1CCN(CS2(=O)=O)C(C(F)(F)F)(O)C	PC-id_139462803,SCHEMBL21327939	370.345	QUXDIXGFTYLMEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093731
Fc1ccc(cc1)CN(C(=O)C1CCn2c(CC1)nnc2)CC(F)(F)F	EMOLS-id_278159092	370.345	KZUSXYCTBNJCBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093732
N#Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99301741	370.346	QZHKEDJNYSZFQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093733
N#Cc1cc(S(=O)(=O)N2CCCc3occc3C2)ccc1C(F)(F)F	EMOLS-id_99309035,ZINC22_329343412,MCULE-4185980497	370.346	SZXDELFPRMUSLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093734
BrC1CCCC(C1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_106133095	370.348	JWBJERJALPSEOO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-093735
BrC1CCC(CC1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_106134741	370.348	PFZLTFRFWHAUNO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-093736
BrC1C(CCCC1)CNC(=O)c1sc2c(CCCCC2)c1	PC-id_81749155	370.348	HAOQPSXKRLWIAP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-093737
BrC1CCCCC1N(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_102638401	370.348	PYXOWYFQTRYEFO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-093738
BrC1CCCCCC1NC(=O)c1cc2c(s1)CCCCC2	PC-id_104284092	370.348	IZBHAITUKFZQSJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-093739
BrCC1CCCC1CNC(=O)c1cc2c(s1)CCCCC2	PC-id_114317082	370.348	WVNFEBHBEMSDTQ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-093740
BrCC1CCCCC1NC(=O)c1cc2c(s1)CCCCC2	PC-id_106367355	370.348	IOKFJTRGXKFHPW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-093741
BrCC1(CCCCC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_114314061	370.348	HMOSNHYFBWLBBJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-093742
BrCC1CCCCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_116639551	370.348	JWJIQKWYORLJBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-093743
BrCCC1CCCN(C1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80668364	370.348	ZNOYUKYMJHTFHJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-093744
BrCCC1N(CCCC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80659137	370.348	NLMMGAAJUSNMNV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-093745
BrCCCC1N(CCC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80676078	370.348	AFSMNWNRAHXMTH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-093746
BrCCCN(C(=O)c1cc2c(s1)CCCCC2)C1CCC1	PC-id_102872358	370.348	OWEMBVHQSCFURE-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-093747
BrCCN(C1CCCC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80652844	370.348	WMEWARQKXWJTSM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-093748
CC(C1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2)Br	PC-id_106839236	370.348	MXJFPIDAIUJTRO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-093749
c12C(=O)NCCCc1nc(NC(=O)Nc1ccccc1C(F)(F)F)s2	MCULE-7357735593,EMOLS-id_50139285,ZINC22_206890308,PC-id_76150362	370.35	WNYWOVBVHFOKQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093750
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Nc1ccc(cc1)C(F)(F)F	PC-id_90625556	370.35	KCRWQVMXAVYMQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093751
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Nc1cccc(c1)C(F)(F)F	PC-id_90625557	370.35	ZWXWJJRKVKJCDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093752
COC(=O)C(CC([N+](=O)[O-])CC1CCCCc2n1c(=O)on2)NC(=O)C	SCHEMBL6792115,PC-id_23500520	370.358	ZFXISVOBWOQWNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093753
Cc1nc(c(cc1)OC/C(=C(C#N)/c1nnc2n1CCCCC2)/O)[N+](=O)[O-]	PC-id_135725624	370.363	WMRQIESKBRIOFU-SEYXRHQNSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093754
O(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1c(nc(cc1)C)[N+](=O)[O-]	PC-id_78644424	370.363	MOAMNPWJHWDWTI-UHFFFAOYSA-N	00000011000000101111000000000010000000000000000000000000	31-01-093755
O(CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N)c1c(nc(cc1)C)[N+](=O)[O-]	PC-id_8255595	370.363	MOAMNPWJHWDWTI-FOWTUZBSSA-N	00000011000000101111000000000010000000000000000000000000	31-01-093756
O=C(O)c1n[nH]c2ccc(NC(=O)N3CCCn4nc(CO)cc4C3)cc12	MCULE-2690252176,PC-id_145909306,ZINC22_1875299947,EMOLS-id_320379050	370.363	CNRSISFKHAIXEA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093757
CN(Cc1cccc(OC(F)(F)F)c1)C1CCc2nn(C)c(=O)n2CC1	MCULE-5071838334,EMOLS-id_97041786	370.369	NFQDOXMZVKZHDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093758
FC(F)(F)c1oc(cc1CNC(=O)CCc1nn2CCCNCc2c1)C	PC-id_70705735	370.369	VEXCLRPNPWGQCH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-093759
Brc1c(sc(c1)C)C(NC)c1sc2c(CCCCC2)c1	PC-id_65279828	370.371	ZIAMLWCZSHFOFZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093760
Brc1c(scc1)C(NCC)c1sc2c(CCCCC2)c1	PC-id_80535930	370.371	IYTQYWHSJHQYIT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093761
Brc1sc(c(C(NC)c2sc3c(CCCCC3)c2)c1)C	PC-id_65635246	370.371	YKLLJNDZFXMQCH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093762
Brc1sc(C(NC)c2sc3c(CCCCC3)c2)cc1C	PC-id_79991003	370.371	SEQUFDQGNQEXEW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093763
Brc1sc(C(NCC)c2sc3c(CCCCC3)c2)cc1	PC-id_63501872	370.371	ZCTDKTZCSUZDOX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093764
CCNC(c1cscc1Br)c1cc2c(s1)CCCCC2	PC-id_105010423	370.371	SIHLFDWJQADGAE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093765
CNC(c1cc2c(s1)CCCCC2)Cc1ccc(s1)Br	PC-id_115841163	370.371	WOASUEFEMGTSPV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093766
CNC(c1cc2c(s1)CCCCC2)Cc1scc(c1)Br	PC-id_115847892	370.371	DOSQVOKKFRXSKX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093767
CNC(c1cc2c(s1)CCCCC2)Cc1sccc1Br	PC-id_115849099	370.371	ZLPIXMWHDXOLSC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093768
CNC(c1cc(c(s1)C)Br)c1cc2c(s1)CCCCC2	PC-id_102827378	370.371	IANADFQRCSBWCO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-093769
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1cc(C)c(cc1F)F	EMOLS-id_112072603	370.371	AUHJTRMCNUXZFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093770
O=C(c1noc2c1CCCCC2)NS(=O)(=O)c1cc(F)c(cc1F)C	EMOLS-id_112072732	370.371	GOCKSFTVVARVAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093771
CN(C(=O)Cc1ccn(n1)CC(F)(F)F)Cc1nnc2n1CCCCC2	MCULE-4588138985,EMOLS-id_320178265	370.373	ZWODWUSSSUSFIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093772
CC1CCc2c(S(=O)(=O)N1)nn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353503	370.374	UPWZHLPCOLSECX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093773
CC1CNc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353367	370.374	WLPQAGVASVDGEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093774
C[C@H](NC(=O)c1noc2c1CCCCC2)c1nc(c2ccc(F)cc2)no1	PC-id_97841057,ZINC22_97165952	370.378	SPZNIISKMBBDMX-NSHDSACASA-N	00000000100000110101100000000010000000000000000000000000	31-01-093775
C[C@@H](NC(=O)c1noc2c1CCCCC2)c1nc(c2ccc(F)cc2)no1	ZINC22_97165953,PC-id_97841058	370.378	SPZNIISKMBBDMX-LLVKDONJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093776
Fc1ccc(c2nc(on2)C(NC(=O)c2noc3CCCCCc23)C)cc1	MCULE-3812160952,PC-id_75511265,EMOLS-id_49326503	370.378	SPZNIISKMBBDMX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093777
Fc1cccnc1OCCC1CN(Cc2cccn2C1)C(=O)c1cnoc1	EMOLS-id_313838883	370.378	GGVUIULLDQGMHU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093778
Fc1cccnc1OCCC1CN(Cc2cccn2C1)C(=O)c1cocn1	EMOLS-id_313838627	370.378	RHXAFUHUGAWLAZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093779
O=C(c1cnoc1)N1Cc2cccn2C[C@H](CCOc2ncccc2F)C1	ZINC22_585095113	370.378	GGVUIULLDQGMHU-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093780
O=C(c1cnoc1)N1Cc2cccn2C[C@@H](CCOc2ncccc2F)C1	ZINC22_585095114	370.378	GGVUIULLDQGMHU-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093781
O=C(c1cocn1)N1Cc2cccn2C[C@H](CCOc2ncccc2F)C1	ZINC22_585095457	370.378	RHXAFUHUGAWLAZ-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093782
O=C(c1cocn1)N1Cc2cccn2C[C@@H](CCOc2ncccc2F)C1	ZINC22_585095458	370.378	RHXAFUHUGAWLAZ-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093783
c1(C(=O)NCc2cc3n(CCCN(C(=O)C)C3)n2)nc2n(cccc2)c1F	EMOLS-id_44447061,MCULE-5484735929,ZINC22_82139239,PC-id_70772278	370.381	DLXRWASSCJPVQR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093784
Fc1cccc(c1)c1noc(n1)C(NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319184125	370.381	YJNYFKLLHKCPER-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093785
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CN1C(=O)c2ccccc2C1=O	PC-id_90625444	370.382	XTCNBCNKNJVEMD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093786
O=C1Nc2cnsc2OC[C@@H]1NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19037414	370.386	DPRRIMGHTRURHQ-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-093787
s1c2CCCCCCc2cc1C(=O)Nc1cc(c[nH]c1=O)C(F)(F)F	PC-id_60360807	370.389	OONCRIBBBNKFTM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-093788
FC(F)(F)c1ccccc1NC(=O)CSc1nnc2CCCCCn12	EMOLS-id_10084075,ZINC22_6098333,MCULE-9491743047,CoCoCo_6269420,PC-id_3505100	370.393	KQOUIGPOWCJVBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093789
FC(F)(F)c1cccc(NC(=O)CSc2nnc3CCCCCn23)c1	CoCoCo_412198,EMOLS-id_710796,ZINC22_3622874,PC-id_2715889,MCULE-1995607081,TIMTEC252944	370.393	JXWNLPBCADTXNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093790
n12CCCCCc1nc(SCC(=O)Nc1cc(C(F)(F)F)ccc1)n2	SPECS-id_AT-225/NB58249,MCULE-2576267423,TIMTEC33640,ZINC22_2585157,PC-id_5020134	370.393	BOTGBPMFASCKAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093791
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1SCC(F)(F)F	EMOLS-id_278111497	370.393	KDJGGJAUKIPRSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093792
O=C(CSc1nnc2n1CCCCC2)Nc1ccc(C(F)(F)F)cc1	PC-id_7877488,CoCoCo_3082155,EMOLS-id_13396558,MCULE-1453759772,ZINC22_6098282	370.393	KAWUVBFYMOODAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093793
S(c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1)C(F)(F)F	PC-id_51266382	370.393	URTPHJJKSDPSQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093794
S(c1n2CCCCCc2nn1)C(C)C(=O)Nc1c(F)c(F)c(F)cc1	PC-id_78559262	370.393	DBGMHFXEDWACLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093795
S(c1n2CCCCCc2nn1)[C@@H](C)C(=O)Nc1c(F)c(F)c(F)cc1	PC-id_7877190	370.393	DBGMHFXEDWACLM-VIFPVBQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-093796
S(c1n2CCCCCc2nn1)[C@H](C)C(=O)Nc1c(F)c(F)c(F)cc1	PC-id_7877191	370.393	DBGMHFXEDWACLM-SECBINFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093797
CC1C=Cc2c(S(=O)(=O)N1)csc2C(=O)Nc1ccc(c(c1)F)F	SCHEMBL18352853	370.394	XKFTUXQJSKXGRL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093798
Fc1ccc(CN2Cc3ccnn3C[C@H](OCc3ccncc3)C2)cc1F	ZINC22_247514135	370.396	JGVYRZUQFTUDLU-GOSISDBHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-093799
Fc1ccc(CN2Cc3ccnn3C[C@@H](OCc3ccncc3)C2)cc1F	ZINC22_247514145	370.396	JGVYRZUQFTUDLU-SFHVURJKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-093800
Fc1ccc(CN2CC(Cn3nccc3C2)OCc2ccncc2)cc1F	EMOLS-id_50020396	370.396	JGVYRZUQFTUDLU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-093801
c1ccc2-c(c(cc2)OC(=O)CCC(=O)Oc2c3-c(ccccc3)cc2)cc1	PC-id_91384946	370.397	CNRISQWJLWDVTQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-093802
O=C(c1ccc2-c1ccccc2)OCCOC(=O)c1ccc2-c1ccccc2	PC-id_101223602	370.397	LLVLOXCCCPOZJQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-093803
COCCOc1ccc(cc1S(=O)(=O)N1CCCn2c(C1)cnn2)F	MCULE-5888688132,EMOLS-id_320202838	370.399	ODVWPUPYASDYQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093804
OC(=O)c1c2-c(c(c1N)C(=O)O)cc(ccc2CN1CCOCC1)C(=C)C	PC-id_101069888	370.399	WFSAHXYGQNXTMU-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-093805
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(c[nH]1)c1ccc(cc1)F	PC-id_90625477	370.401	FNXDQRVEJRZLRG-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-093806
o1nc2n(C(CCCC2)CNC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1=O	PC-id_53955360,SCHEMBL6796865	370.401	JHGPYQBICSORAD-DTIOYNMSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093807
o1nc2n(C(CCCC2)CNC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1=O	PC-id_59923016	370.401	JHGPYQBICSORAD-RRKGBCIJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093808
o1nc2n(C(CCCC2)CNCC(NC(=O)OC(C)(C)C)C(=O)O)c1=O	PC-id_23500553	370.401	JHGPYQBICSORAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-093809
c1(cc2CCCc2[nH]c1=O)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	MCULE-4275363158,PC-id_56885929,ZINC22_72432937,EMOLS-id_43072869	370.402	RIVBPDLRLQZQRH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093810
C1CN(Cc2cc(nn2C1)C(c1ccccc1)O)C(=O)CN1CCOC1=O	PC-id_91772586	370.402	CPLVEIWVQWYPBR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093811
c1(C(=O)N2CCN(CC2)c2ccc(cc2)N(=O)=O)c2CCCCCc2on1	EMOLS-id_17457120,ZINC22_20458074,CoCoCo_2401405,PC-id_17254376,MCULE-4084812592,TIMTEC238592	370.402	JIDQYDRCDMRWGJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093812
c1(C(=O)OC)cc2n(CCCN(C(=O)CC(=O)Nc3cccc(C)c3)C2)n1	PC-id_50968712,ZINC22_65422502,EMOLS-id_32407120,MCULE-8454605302	370.402	ILIHJSRRJFJDPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093813
n12CCC(CCc1nn(CC1CC1)c2=O)NC(=O)c1ccc2c(OCO2)c1	PC-id_91922676,MCULE-1706222801,EMOLS-id_50586131	370.402	ODXNYHWSPIRXFY-UHFFFAOYSA-N	00100010100000100101000000001010000000000000000000000000	31-01-093814
O=c1ccc(c[nH]1)C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111830039	370.402	BBZMYPUVEZEVAS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-093815
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)O)Cc1ccc(cc1)C	PC-id_42854014	370.402	VVDVCWLBNJIKMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093816
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)O)Cc1c(cccc1)C	PC-id_42854015	370.402	XMYYOEWFQOELMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093817
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)O)Cc1ccc(cc1)C	PC-id_46049203	370.402	MTWPIITTYLDWRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093818
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)O)Cc1cc(ccc1)C	PC-id_46049204	370.402	SGMWJGMUTYYPBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093819
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)O)Cc1cc(ccc1)C	PC-id_46049208	370.402	XYQIHDFGMULCIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093820
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)O)Cc1c(cccc1)C	PC-id_46049212	370.402	OWFSTNWNKVMRJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093821
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)O)C)Cc1ccc(cc1)C	PC-id_46049200	370.402	ZNHUJVLTNFIMQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093822
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)O)C)Cc1cc(ccc1)C	PC-id_46049205	370.402	GIKNCUQDJXDFAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093823
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)O)C)Cc1c(cccc1)C	PC-id_46049209	370.402	ZDMXNIDYIWCNIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093824
O=C(c1ccc2c(c1)OCO2)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97405195	370.402	WEYXOSBHBMHEGS-UHFFFAOYSA-N	00100010100000100101000000001010000000000000000000000000	31-01-093825
O=C(N1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O)CN1CCOC1=O	PC-id_100045542	370.402	CPLVEIWVQWYPBR-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093826
O=C(N1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O)CN1CCOC1=O	PC-id_100045544	370.402	CPLVEIWVQWYPBR-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093827
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)C1C=C2CCCC2=NC1=O	PC-id_76423769	370.402	FXPGZVUNMIKZAO-UHFFFAOYSA-N	00000010100011000101000000000110000000000000000000000000	31-01-093828
O=C(N1CCCn2nc(cc2C1)C(=O)OC)c1c2c([nH]c1C)CCCC2=O	PC-id_50949127	370.402	KKHNGAIODRXHKZ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-093829
c12CN(CCCn1nc(CNC(=O)c1cnc(cn1)O)c2)C(=O)C1CCC1	PC-id_70769279,MCULE-3659419137,ZINC22_82138528,EMOLS-id_44446071	370.406	OOUHNRTUSRFPCT-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-093830
FC1CN(CC1)Cc1nn2c(CN(CCC2)Cc2c3nonc3ccc2)c1	PC-id_76426694	370.424	QVASGIYJQHUGAA-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-093889
c1(c2ccco2)noc(CCCC(=O)NCc2cc3n(CCCNC3)n2)n1	ZINC22_82097015,MCULE-1886831129,EMOLS-id_44428241,PC-id_70718379	370.406	MFUZPRYFKDKBOW-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-093831
c1(C(=O)NCc2noc(c3ccco3)n2)cc2n(CCCN(C(C)C)C2)n1	PC-id_50962206,MCULE-9526711886,ZINC22_65398828,EMOLS-id_32394832	370.406	ZQAKDLMJXMOJJX-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-093832
Cc1ccc(Cn2nccc2NC(=O)Cn2nc3n(c2=O)CCCCC3)o1	ZINC22_89656106,MCULE-4429065547,PC-id_71942677,EMOLS-id_45635562	370.406	RXHLRTYMBJXISY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-093833
Cn1c2ccccc2c(n1)C(=O)N1CCc2nn(c(=O)n2CC1)CCOC	PC-id_91910658	370.406	ASEIFMZNDYUORZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093834
CN(c1nc(=O)c2c(c(=O)[nH]1)ncn2Cc1onc(c1)C1CCCCC1)C	CoCoCo_1483607,PC-id_28360315	370.406	RBRITVNXHSBOML-UHFFFAOYSA-N	00000000100010000111100000000010000000000000000000000000	31-01-093835
O=c1n2CCCCCc2nn1CC(=O)NC(c1cc2[nH]c(=O)[nH]c2cc1)C	PC-id_55867075	370.406	HIUGHVRRVXWDSK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093836
O=c1n2[nH]c(cc2nc(CN2CCCn3nc(cc3C2)CCC(=O)O)c1)C	PC-id_56890262	370.406	IIMIAZPPFRKMBH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093837
O=C(c1c(C)oc2c1c(=O)n(cn2)C)NCCc1nnc2n1CCCCC2	EMOLS-id_98392877	370.406	BRWIWPPLGUHZMB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093838
O=C(N1CCCn2nc(cc2C1)CNC(=O)C1N=CC(=O)N=C1)C1CCC1	PC-id_78086261	370.406	XWGOCVKPKAAKRL-UHFFFAOYSA-N	00001000100011000101000000000010000000000000000000000000	31-01-093839
O=C(NCc1nnc2n1CCCCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1	EMOLS-id_20081823,MCULE-8138372259,CoCoCo_4336663,PC-id_24676670,ZINC22_14485162	370.406	WMUCLXJSWTXRIZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093840
c12CN(CCCn1nc(CNc1ncnc3onc(C)c13)c2)C(=O)N(C)C	MCULE-9967620949,ZINC22_82161595,EMOLS-id_44451305,PC-id_70784327	370.409	GVDKQYZPKHGPIV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093841
Cc1nc2[nH]cc(C(=O)N3CCCn4nc(CN(C)C)cc4C3)c(=O)n2n1	PC-id_56883125,EMOLS-id_43061448,MCULE-9031592384,ZINC22_101822199	370.409	LXMRPHPCXXRGID-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093842
O=C([C@@H]1CCCCn2c1nnn2)N1CCn2c(C1)cc(n2)C(=O)NC1CC1	PC-id_95122895	370.409	AEYJEURIRSWJMF-CYBMUJFWSA-N	00100000100010000101000000010010000000000000000000000000	31-01-093843
O=C([C@H]1CCCCn2c1nnn2)N1CCn2c(C1)cc(n2)C(=O)NC1CC1	PC-id_95122896	370.409	AEYJEURIRSWJMF-ZDUSSCGKSA-N	00100000100010000101000000010010000000000000000000000000	31-01-093844
O=C(N1Cc2n(nc(C(=O)NC3CC3)c2)CC1)C1CCCCn2nnnc12	PC-id_50955174	370.409	AEYJEURIRSWJMF-UHFFFAOYSA-N	00100000100010000101000000010010000000000000000000000000	31-01-093845
CC(c1ccc(c2-c(c1)c(C)cc2N=Nc1ccc(cc1)C(F)(F)F)C)C	CK2073673	370.411	XDXLOEVGXDYARZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-093846
FC(F)(F)c1ccc(/N=N/c2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1	PC-id_6710853	370.411	XDXLOEVGXDYARZ-CYYJNZCTSA-N	00000010100000110110000000000010000000000000000000000000	31-01-093847
Fc1ccc(cc1)C(=O)C1CCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100991248	370.417	MMRZDYVZLRSDDZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093848
Fc1ccc(cc1)C(=O)CC1CCCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_101050417	370.417	KQZGWUMLBUTILY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093849
c12CN(CCCn1nc(CNC(=O)c1ccccc1F)c2)C(=O)C1CCC1	EMOLS-id_44450337,MCULE-7016265780,ZINC22_82160389,PC-id_70781681	370.421	ZONPQNSIXXNNFV-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-093850
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1)F)c2)C(=O)C1CCC1	MCULE-8436979209,ZINC22_82096866,EMOLS-id_44428021,PC-id_70717691	370.421	DLQWDELAVVZAAC-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-093851
c12CN(CCCn1nc(CNC(=O)c1cccc(F)c1)c2)C(=O)C1CCC1	PC-id_70770317,EMOLS-id_44446423,MCULE-4339723860,ZINC22_82138771	370.421	MUEUTWCKQDNRSG-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-093852
c12C(=O)N(CCCn1nc(C(=O)NC1CCCC1)c2)Cc1ccc(cc1)F	EMOLS-id_32846184,MCULE-1466842784,PC-id_50797937	370.421	OGXWZGMNZVBELD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093853
c12C(=O)N(CCCn1nc(C(=O)NC1CCCC1)c2)Cc1cccc(F)c1	MCULE-5330072793,PC-id_53007956,EMOLS-id_32632924	370.421	KMPAJXRUNIRNIM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093854
C1(c2ccccc2F)(C(=O)NCc2cc3n(CCCN(C(=O)C)C3)n2)CC1	MCULE-4757891587,PC-id_70755838,EMOLS-id_44441429,ZINC22_82125897	370.421	ANAIGGMMFRNNGQ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-093855
Cc1ccc(cc1F)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	EMOLS-id_44370274,ZINC22_96259363,PC-id_97519447	370.421	NMVHDZOAONETPE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093856
Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCCn2nc([C@@H](C)O)cc2C1	PC-id_100046792,ZINC22_219758111	370.421	JPDRNTUOEUHNFQ-CYBMUJFWSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093857
Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCCn2nc([C@H](C)O)cc2C1	PC-id_100046795,ZINC22_219758184	370.421	JPDRNTUOEUHNFQ-ZDUSSCGKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093858
CCNC(=O)C1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(cc1)F	PC-id_121358818,SCHEMBL17777886	370.421	CBZWJLPMTFWCRV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093859
CC(NC(=O)C1=CN(CC(c2c1c(C)[nH]n2)C)C(=O)c1ccc(cc1)F)C	PC-id_145087407	370.421	UQQGEVSVXMRZAK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093860
CC(NC(=O)C1=CN(CC(c2c1cn[nH]2)(C)C)C(=O)c1ccc(cc1)F)C	SCHEMBL17777885,PC-id_121358817	370.421	DTZDFJBDVRULMF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093861
CCNC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)F	SCHEMBL17777913,PC-id_121358844	370.421	XUBOLNJHCBJOLG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093862
CCNC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)C)F	SCHEMBL19702803	370.421	JUZPZUXYQMJLRC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093863
CC(NC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(cc1)F)C	PC-id_121358827,SCHEMBL17777895	370.421	GOQXKWFRXWYGPM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093864
CC(O)c1cc2CN(CCCn2n1)C(=O)Cc1c(C)[nH]c2c(F)cccc12	EMOLS-id_50533589,PC-id_90649451,MCULE-2661867755	370.421	JPDRNTUOEUHNFQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093865
CNC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)C)F	SCHEMBL19702795	370.421	HDRUCZIBRZCKFQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093866
CN(C(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)C)F)C	SCHEMBL19702807	370.421	SGJZWEYEEFUHSV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093867
COC(=O)c1c(NC(=O)NCC(C(=O)O)(O)C)sc2c1CCCCC2	EMOLS-id_72871383,MCULE-2070272421,PC-id_122087760	370.421	FXBQPHVXLPNXOH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-093868
FC1(CCC1)C(=O)N1CCCn2cnc(C(=O)NCc3ccccc3)c2C1	ZINC22_1565553981,EMOLS-id_313789754	370.421	NSQJKHFPFLAOBO-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-093869
Fc1ccc(cc1)C(=O)CC1CCCN1C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278657087	370.421	AKVXGLHNSAYMDJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093870
Fc1ccc(cc1)C(=O)N1C=C(C(=O)N(C)C)c2c(C(C1)(C)C)c([nH]n2)C	PC-id_121358873,SCHEMBL17777945	370.421	PSIZSQUGANHRAJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093871
Fc1ccc(cc1)C(=O)N1C=C(C(=O)N(C)C)c2c(C(C1)(C)C)[nH]nc2C	SCHEMBL17777890,PC-id_121358822	370.421	ZYQXPRDGITYDNB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093872
Fc1cccc(c1)N1CC(CC1=O)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-5333619617,EMOLS-id_55683603,PC-id_91788228	370.421	JVXKBZFVRXOPDV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093873
Fc1cccc(CC(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)c1	PC-id_97519430,EMOLS-id_44370240,ZINC22_96259346	370.421	XHYRDZUFQAACRN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093874
Fc1ccc(CC(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)cc1	ZINC22_96259362,PC-id_97519446,EMOLS-id_44370272	370.421	HIHBVALHSFQPSM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093875
Fc1ccc(CN2CCCn3nc(C(=O)N4CCCCC4)cc3C2=O)cc1	PC-id_50797879	370.421	LUNTVIQCKAUASJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093876
F[C@@H]1C[C@H]1C(=O)N1CCCn2cnc(C(=O)NCCc3ccccc3)c2C1	EMOLS-id_313788473,ZINC22_1565550457	370.421	DGPQDPVCGSVYIZ-HZPDHXFCSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093877
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CC(=O)N(c2cccc(F)c2)C1	PC-id_100168261,ZINC22_222946012	370.421	JVXKBZFVRXOPDV-CYBMUJFWSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093878
O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CC(=O)N(c2cccc(F)c2)C1	ZINC22_222946063,PC-id_100168269	370.421	JVXKBZFVRXOPDV-ZDUSSCGKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093879
N#Cc1c(NC(=O)COc2ccc3c(c2)OCO3)sc2c1CCCCC2	ZINC22_8313526,CoCoCo_3169678,PC-id_9438941,MCULE-9142138124,EMOLS-id_3683529	370.422	GXUJNSVPAPURIN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093880
N#Cc1c(NC(=O)COC(=O)c2ccccc2O)sc2c1CCCCC2	ZINC22_10530341,PC-id_41538044,MCULE-9395031596,EMOLS-id_30227031	370.422	HZQFNJNNUQGLNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093881
N#Cc1c(NC(=O)COC(=O)c2ccc(O)cc2)sc2c1CCCCC2	EMOLS-id_3102499,CoCoCo_3031476,PC-id_2363901,MCULE-6385847139,ZINC22_3246650	370.422	IJAMRFYMBNZYHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093882
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(O)ccc1)C#N	PC-id_41537683	370.422	GJOAESSDASIENF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093883
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1occc1)C#N	PC-id_3963303	370.422	IOBXNJFFUXUQTD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-093884
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1occc1)C#N	PC-id_5971283	370.422	IOBXNJFFUXUQTD-CMDGGOBGSA-N	00000000101000000100000000000010000000000000000000000000	31-01-093885
Cc1cc(c2-c(cc(c2)P(=O)(c2ccccc2)c2ccccc2)c(c1)C)C	PC-id_135030402	370.423	JBJHOBUZSGQTTJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-093886
c12CN(CCCn1nc(CN1CC[C@H](F)C1)c2)Cc1cccc2nonc12	EMOLS-id_43120603,MCULE-3572422871,PC-id_56897564,ZINC22_72157845	370.424	QVASGIYJQHUGAA-HNNXBMFYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-093887
Fc1cc2[nH]c(nc2cc1)CN(C(=O)CCc1nn2CCCNCc2c1)C	PC-id_70780256	370.424	MYYODMOPMHXVSP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093888
O=C(N1CCC(=Cc2ccccc2F)CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102165100	370.424	NZKUQWCVRLGNBD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093890
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)C1CC(=O)N(C1)c1ccccc1	PC-id_90625419	370.426	UJVAMLCMFRRFRP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093891
c1(NC(=O)Cn2ccc3c(cccc23)N(=O)=O)sc2c(CCCCC2)n1	MCULE-9223358441,EMOLS-id_323291750	370.426	SDOJXYRZXNPPDO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093892
c
(=N/C(=O)Cn2c(=O)ccc(c3ccco3)n2)/sc2c(CCCCC2)[nH]1	PC-id_52898204,MCULE-3182999557,ZINC22_61718107,STOCK7S-12223,EMOLS-id_35783692,EMOLS-id_46561772	370.426	KHFWVOUBEGHCNC-UHFFFAOYSA-N	00000000101000100101100000000010000000000000000000000000	31-01-093893
CN(Cc1cc2ccccc2s1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135114669	370.426	OOROAMNOMVHYBR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093894
COc1ccc(c2nnc(NC(=O)N3CCCc4occc4C3)s2)cc1	ZINC22_288887052,MCULE-5635906009,EMOLS-id_177263590	370.426	RBAWIFVAICUGGE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093895
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1n[nH]c(c1)c1ccco1	PC-id_35705204,MCULE-3737054624,EMOLS-id_30656055	370.426	KNECSFHQXHFZNB-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-093896
O=S(=O)(c1cccnc1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575404477	370.426	MVVACGPAWOGCHP-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093897
O=S(=O)(c1cccnc1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575404478	370.426	MVVACGPAWOGCHP-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-093898
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ncc(nc1)C)C#N	PC-id_3620071	370.426	IMJJNRGSFCDXEG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-093899
s1c2CCCCCc2nc1NC(=O)Cn1c2c(cc1)cc([N+](=O)[O-])cc2	PC-id_56160118	370.426	HVCSCGPZTGSSHD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093900
s1c2CCCCCCc2c(c1NC(=O)COC(=O)c1nccnc1)C#N	PC-id_23944959	370.426	QELUJSMRKPELRX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-093901
s1c2CCCCCCc2nc1NC(=O)c1c2c([nH]c1)ccc([N+](=O)[O-])c2	PC-id_56304199	370.426	QVTWMMMUEPQFCS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-093902
s1c2cc(C(=O)N3CCCn4nc(cc4C3)CCC(=O)O)ccc2nc1	PC-id_56904228	370.426	LTJGHUXIOZEIRC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093903
c1(C(=O)N)cn2c(CCN(CC2)C(=O)c2cc(C)c3c(sc(n3)N)c2)n1	MCULE-4879083271,ZINC22_1875248592,EMOLS-id_331141665	370.429	ZJJBOXWELYDFSR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093904
O=C(Cc1cccs1)N1CCc2nnc(COc3cncnc3)n2CC1	PC-id_97519293,ZINC22_96259208,EMOLS-id_44369962	370.429	XGWRTDNWECZBAL-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-093905
O=C(CSc1nnc2n1CCCCC2)Nc1nnc(c2ccccc2)o1	PC-id_7876973,MCULE-5687732114,ZINC22_6097567,EMOLS-id_43775496,CoCoCo_3081744	370.429	HCDGHEDRTKCMNE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093906
O=C(NCc1cccs1)C1CN(Cc2ncnn2C1)C(=O)c1cc[nH]c1	EMOLS-id_313724375	370.429	DZTSJWLXEUPHHD-UHFFFAOYSA-N	00000000110100000101000000000010000000000000000000000000	31-01-093907
O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc[nH]c2)Cc2ncnn2C1	ZINC22_1565544322	370.429	DZTSJWLXEUPHHD-CYBMUJFWSA-N	00000000110100000101000000000010000000000000000000000000	31-01-093908
O=C(NCc1cccs1)[C@H]1CN(C(=O)c2cc[nH]c2)Cc2ncnn2C1	ZINC22_2055713202	370.429	DZTSJWLXEUPHHD-ZDUSSCGKSA-N	00000000110100000101000000000010000000000000000000000000	31-01-093909
s1c2c(CCCCC2)c(c1NC(=O)c1nn2c(n1)nccc2C)C(=O)N	PC-id_55334316	370.429	LRLDFJAJYARPFE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-093910
S(c1n2CCCCCc2nn1)C(C(=O)Nc1cc2=NC(=O)N=c2cc1)C	PC-id_73399334	370.429	HFRYTIDPWQPETO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093911
c12C(CCCCn1nnn2)C(=O)NCCc1csc(c2cnccn2)n1	PC-id_118793095,EMOLS-id_68936198,MCULE-6199041548	370.432	SADYXVWNSWVSIZ-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-093912
c12C(CCCCn1nnn2)C(=O)NCCc1csc(c2ncccn2)n1	PC-id_118761201,MCULE-5085500635,EMOLS-id_68870059	370.432	KJEGGMHZDJOQKK-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-093913
O=C(NCc1nnc2n1CCCCC2)Nc1nnc(c2ccccn2)s1	ZINC22_47789742,EMOLS-id_32017540,MCULE-6357411614,PC-id_47050438	370.432	QAFBYKGTDXHQIA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-093914
O=C(NCCc1csc(c2cnccn2)n1)[C@@H]1CCCCn2nnnc12	ZINC22_299799398	370.432	SADYXVWNSWVSIZ-GFCCVEGCSA-N	00000000100000100101100000000010000000000000000000000000	31-01-093915
O=C(NCCc1csc(c2cnccn2)n1)[C@H]1CCCCn2nnnc12	ZINC22_299799402	370.432	SADYXVWNSWVSIZ-LBPRGKRZSA-N	00000000100000100101100000000010000000000000000000000000	31-01-093916
O=C(NCCc1csc(c2ncccn2)n1)[C@@H]1CCCCn2nnnc12	ZINC22_299768728	370.432	KJEGGMHZDJOQKK-GFCCVEGCSA-N	00000000100000100101100000000010000000000000000000000000	31-01-093917
O=C(NCCc1csc(c2ncccn2)n1)[C@H]1CCCCn2nnnc12	ZINC22_299768736	370.432	KJEGGMHZDJOQKK-LBPRGKRZSA-N	00000000100000100101100000000010000000000000000000000000	31-01-093918
Cc1ccc(c(c1)OC1CCOC1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100098102	370.442	XDNFUADRLLLBIE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093919
Cc1cc(ccc1OC1CCOCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100092210	370.442	GZGIRSSUXQITOL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093920
Cc1ccc(c(c1)OCC1CCCO1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100119171	370.442	HQLBMIMNNIQWAD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093921
CC(CC=CCC1CCCCc2noc(=O)n12)C(=O)OCc1ccccc1	PC-id_91131969	370.442	UGBSLANGTZMARO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093922
COc1cc(CC2CN(C(=O)c3noc4c3CCCCC4)C2)cc(OC)c1	ZINC22_333455744,MCULE-4832205132,EMOLS-id_101061649	370.442	MUWODHGFYMZDDJ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-093923
COc1ccc(cc1OC)C1CCCN1C(=O)c1noc2c1CCCCC2	MCULE-9802927453,EMOLS-id_75983728,PC-id_119043881	370.442	RXXBKJOAMRBCLU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093924
COc1ccc([C@@H]2CCCN2C(=O)c2noc3c2CCCCC3)cc1OC	ZINC22_124676432	370.442	RXXBKJOAMRBCLU-INIZCTEOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093925
COc1ccc([C@H]2CCCN2C(=O)c2noc3c2CCCCC3)cc1OC	ZINC22_124676663	370.442	RXXBKJOAMRBCLU-MRXNPFEDSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093926
o1nc2n([C@H](CCCC2)C/C=C/C[C@H](C)C(=O)OCc2ccccc2)c1=O	PC-id_59924270	370.442	UGBSLANGTZMARO-MMUANNJHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093927
o1nc2n([C@H](CCCC2)CC=CC[C@H](C)C(=O)OCc2ccccc2)c1=O	PC-id_59924283	370.442	UGBSLANGTZMARO-WMZOPIPTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093928
o1nc2n([C@H](CCCC2)CC=CC[C@@H](C)C(=O)OCc2ccccc2)c1=O	PC-id_59924287	370.442	UGBSLANGTZMARO-AEFFLSMTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093929
OC1CCCCC1Oc1ccc(cc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_97792877	370.442	JTFBIEAXSXLMSX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093930
O=C(c1noc2c1CCCCC2)Nc1ccccc1OCC1CCCCO1	EMOLS-id_100094541	370.442	IEPWEETVNNMQBD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093931
O=C(c1noc2c1CCCCC2)Nc1ccc(cc1)OCC1CCOCC1	EMOLS-id_100095192	370.442	FVHVOGSVMLTDCM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093932
c1(C(=O)Nc2sc3c(CCCCC3)n2)cc(nn1C)c1ccc(cc1)F	MCULE-3871315554,EMOLS-id_323254758	370.444	XRZNZPGZSCNBKF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093933
Cn1ncc(c1)c1ccc(c(c1)C(=O)Nc1nc2c(s1)CCCCC2)F	EMOLS-id_99244491	370.444	GLZOKQSIQFJIHZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093934
Fc1c(Cc2nc(on2)C[NH+](Cc2n[nH]c3c2CCCCC3)C)cccc1	PC-id_42289865	370.444	AGTSRQDJLCSTMX-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-093935
O(c1ccc(Nc2c3-c(c(Nc4ccc(OC)cc4)c2)ccccc3)cc1)C	PC-id_85692483	370.444	VWHQPNYZYXKACQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-093936
O(c1ccc(Nc2cc3-c(cc(Nc4ccc(OC)cc4)c2)ccc3)cc1)C	PC-id_85699336	370.444	QIENWARBLUMESB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-093937
O=C(NCc1nc(c2ccccc2F)cs1)c1n[nH]c2c1CCCCC2	MCULE-9897481501,ZINC22_1639586239,EMOLS-id_316815896	370.444	AACDXIARAFFNGS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093938
s1c2CCCCCc2nc1NC(=O)c1c(n(nc1)c1c(F)cccc1)C	PC-id_55520868	370.444	PKZGUWQRRMJQQA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093939
s1c2CCCCCCc2cc1C(=O)Nc1cc(F)c(n2ncnc2)cc1	PC-id_52660631	370.444	IYICPBWCLJEJCB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093940
s1c2CCCCCCc2nc1NC(=O)c1cn(nc1)c1c(F)cccc1	PC-id_56204512	370.444	YBJAEJZOXGBKBJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093941
s1c2CCCCCCc2nc1NC(=O)c1nn(c2cc(F)ccc2)cc1	PC-id_56083760	370.444	RAKYLKVHQHOMRU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-093942
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1ccc(cc1)N1CCOCC1	EMOLS-id_50546297,MCULE-8315203089,PC-id_90652905	370.445	LQWYAGMOGYJCRV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093943
c12CN(CCCn1nc(CNC(=O)c1ccc3c(OCO3)c1)c2)CC(C)C	PC-id_70732242,EMOLS-id_44433163,ZINC22_82107322,MCULE-6083613171	370.445	WKVDKCRDHFJWEU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093944
c12CN(CCCn1nc(CNC(=O)CCc1ccccc1OC)c2)C(=O)C	PC-id_70784835,EMOLS-id_44451467,MCULE-1620394138,ZINC22_82161798	370.445	HIOYHUNZROWUNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093945
c12CN(CCCn1nc(CNC(=O)CCc1cccc(OC)c1)c2)C(=O)C	EMOLS-id_44424373,ZINC22_82087127,MCULE-2076662756,PC-id_70707385	370.445	SMAKUXFJJBYCKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093946
c12CN(CCCn1nc(CNC(=O)C(CC)Oc1ccccc1)c2)C(=O)C	PC-id_70753466,MCULE-2325896627,EMOLS-id_44440645	370.445	JKJVEHIBAWUYFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093947
c12C(=O)N(CCCn1nc(C(=O)NCCCOC)c2)Cc1cccc(C)c1	MCULE-5425347451,PC-id_53034579,EMOLS-id_32633174	370.445	YCLUHARGJXWZOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093948
c12C(=O)N(CCCn1nc(C(=O)NCCCOCC)c2)Cc1ccccc1	MCULE-1715099155,PC-id_46347965,EMOLS-id_30600612	370.445	FOWPYHOIKBKWHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093949
Nc1ccccc1c1ccc(o1)CCCNC(c1ccc2-c1ccccc2)C	PC-id_68813855,SCHEMBL3852168	370.487	QRWZSINMAFFGPE-UHFFFAOYSA-N	00000010101000110110100000000010000000000000000000000000	31-01-094323
c12C(=O)NCC(O)Cn1nc(C(=O)NCCCc1ccc(cc1)C(C)C)c2	MCULE-2345063999,EMOLS-id_82734123,PC-id_119071346	370.445	ZDGRJYJWGYDXEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093950
c1(cc2n(CCCN(C(=O)C)C2)n1)C(=O)N(C)C(C)c1cccc(OC)c1	MCULE-4990025628,EMOLS-id_32428128,PC-id_50979875	370.445	MNFCYBZAWIKHLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093951
C1CCc2nnc(n2CC1)COc1ccc(cc1)OC1CCCCNC1=O	MCULE-4386146442,PC-id_136537831,EMOLS-id_316911676	370.445	LCVRBNLDRMMRIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093952
c1(c(C)cc(n(C)c1=O)C)C(=O)N1CCCn2c(cc(n2)C(O)C2CC2)C1	EMOLS-id_55630452,PC-id_91769774,MCULE-6324175459	370.445	BDYKSWCRMCFJJX-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-093953
c1(cc(oc1C)C)C(=O)N1CCCn2nc(CCC(=O)NC3CC3)cc2C1	ZINC22_91620592,EMOLS-id_46055855,MCULE-7330698656,PC-id_72880406	370.445	LICDBTRIQQCSSC-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-093954
c1(cc(oc1C)C)C(=O)NCc1cc2n(CCCN(C(=O)C3CCC3)C2)n1	ZINC22_82170498,PC-id_70787446,EMOLS-id_44452383,MCULE-8780788887	370.445	HLEIQUXSDFPUGH-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-093955
c1(C(O)C2CCC2)cc2n(CCCN(C2)C(=O)c2cccnc2OCC)n1	MCULE-3578089556,PC-id_90652345,EMOLS-id_50544281	370.445	OJPGHHOZNLUQLF-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-093956
c1(C(=O)N2CCC(C2)c2cccc(OC)c2OC)nnc2CCCCCn12	MCULE-6567459221,PC-id_86284085,EMOLS-id_50527121	370.445	WNXSKXALSBWCSJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093957
c1(C(=O)N2CCOCC2)cc2n(CCCN(CC(=Cc3ccco3)C)C2)n1	MCULE-7936859170,PC-id_72071729	370.445	PLSPFKJDPWQPNJ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-093958
c1(C(=O)Nc2ccccc2)cc2n(CCCN(C(=O)C(O)CC(C)C)C2)n1	EMOLS-id_32424234,MCULE-5001215370,PC-id_50977787	370.445	PDPROAZZEAEUGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093959
Cc1c(ccc(c1)OC)C(=O)NC1CCc2nn(c(=O)n2CC1)CC1CC1	MCULE-4655236196,EMOLS-id_50586805,PC-id_91910847	370.445	NUGTXFMPBQTXHG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093960
Cc1cccc(OCC(=O)NC2CCc3nn(CC4CC4)c(=O)n3CC2)c1	MCULE-4448786347,EMOLS-id_50586145,PC-id_91910854	370.445	JAWBADBJOAHBDM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093961
Cc1cc(C)n(c(=O)c1C(=O)N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O)C	PC-id_100038203	370.445	BDYKSWCRMCFJJX-SFHVURJKSA-N	00100000100000101101000000000010000000000000000000000000	31-01-093962
Cc1cc(C)n(c(=O)c1C(=O)N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O)C	PC-id_100038206	370.445	BDYKSWCRMCFJJX-GOSISDBHSA-N	00100000100000101101000000000010000000000000000000000000	31-01-093963
CC1OC(C)CN(C1)c1ccc(cn1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100262528	370.445	WYENDJJVFGBXMQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-093964
CC1OCCN(C1)c1ccc(cn1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100928334	370.445	FTPYGZZZZGGNNT-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-093965
CCc1cccc(C)c1NC(=O)CN1Cc2ccnn2C[C@@H](C(=O)OC)C1	ZINC22_2325804151	370.445	XJQPIPBCVHMLIR-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093966
CCc1cccc(C)c1NC(=O)CN1Cc2ccnn2C[C@H](C(=O)OC)C1	ZINC22_2325804152	370.445	XJQPIPBCVHMLIR-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093967
CC(C)c1ccc(CCCNC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)cc1	ZINC22_426624957	370.445	ZDGRJYJWGYDXEN-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093968
CC(C)c1ccc(CCCNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)cc1	ZINC22_426624958	370.445	ZDGRJYJWGYDXEN-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093969
C/C(=Cc1ccco1)/CN1CCCn2nc(cc2C1)C(=O)N1CCOCC1	EMOLS-id_44854915,ZINC22_65506155,PC-id_50980779	370.445	PLSPFKJDPWQPNJ-FOWTUZBSSA-N	00000000101010000101000000000010000000000000000000000000	31-01-093970
CC(C)C[C@H](O)C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1	PC-id_95140865,ZINC22_65490579	370.445	PDPROAZZEAEUGN-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093971
CC(C)C[C@@H](O)C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1	ZINC22_65490581,PC-id_95140866	370.445	PDPROAZZEAEUGN-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093972
CC[C@@H](Oc1ccccc1)C(=O)NCc1cc2n(n1)CCCN(C(=O)C)C2	PC-id_96577490,ZINC22_82121735	370.445	JKJVEHIBAWUYFS-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093973
CC[C@H](Oc1ccccc1)C(=O)NCc1cc2n(n1)CCCN(C(=O)C)C2	ZINC22_82121734,PC-id_96577489	370.445	JKJVEHIBAWUYFS-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-093974
CCCNCCOc1ccncc1NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL6092899,PC-id_21953080	370.445	KZXLNQLDVHNMCE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-093975
C=CCN(C(=O)Cn1nc2n(c1=O)CCCCC2)Cc1ccc(cc1)OC	PC-id_87030401	370.445	QQKWTINLKQYXTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093976
CCC(=O)c1ccc(OCC(=O)NCCc2nnc3n2CCCCC3)cc1	MCULE-9083523100,ZINC22_14113177,PC-id_17445855,CoCoCo_4472991,EMOLS-id_13502550	370.445	XJAQKKFMNONBLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093977
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(N3CCOCC3)cc1)C2	PC-id_100067215,ZINC22_221347710	370.445	LQWYAGMOGYJCRV-OAHLLOKOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093978
C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(N3CCOCC3)cc1)C2	ZINC22_221347645,PC-id_100067214	370.445	LQWYAGMOGYJCRV-HNNXBMFYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-093979
CCOc1cc2CC(Oc2cc1CNC(=O)C1CCn2c(CC1)nnc2)C	MCULE-4053733781,EMOLS-id_320054565	370.445	RECVANFVDDXXOO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093980
CCOc1ncccc1C(=O)N1CCCn2nc([C@H](O)C3CCC3)cc2C1	ZINC22_221295354,PC-id_100066764	370.445	OJPGHHOZNLUQLF-GOSISDBHSA-N	00001000100000101101000000000010000000000000000000000000	31-01-093981
CCOc1ncccc1C(=O)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1	ZINC22_221295416,PC-id_100066765	370.445	OJPGHHOZNLUQLF-SFHVURJKSA-N	00001000100000101101000000000010000000000000000000000000	31-01-093982
CCOC(=O)Cc1ccc(NC(=O)NCc2n[nH]c3c2CCCCC3)cc1	MCULE-8343457288,ZINC22_299785793,EMOLS-id_68899834,PC-id_118774918	370.445	RWGYDHXWQIDBAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093983
CCOC(=O)C(CCCCn1cnc2c1NC=NCC2O)c1ccccc1	PC-id_10571200,CHEMBL288266,BindingDB_PC-id_10571200	370.445	SFSXDAXQZZUSLZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093984
COc1cccc(c1)CCC(=O)N1CCc2nn(c(=O)n2CC1)CC1CC1	EMOLS-id_50590039,MCULE-9637778725,PC-id_91922447	370.445	BGJBHDDGIYVNIP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093985
COc1cccc(c1)CCC(=O)NCCNC1CCNC(=O)c2c1cc[nH]2	PC-id_117077817	370.445	IOFPNKOLAPYAHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-093986
COc1ccc(cc1)OC1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316662098	370.445	WSPAKGDSDBHMJN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-093987
COc1cccc(c1OC)[C@@H]1CCN(C1)C(=O)c1nnc2n1CCCCC2	PC-id_99971886	370.445	WNXSKXALSBWCSJ-CQSZACIVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093988
COc1cccc(c1OC)[C@H]1CCN(C1)C(=O)c1nnc2n1CCCCC2	PC-id_99971887	370.445	WNXSKXALSBWCSJ-AWEZNQCLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-093989
COc1cccc([C@@H](C)N(C)C(=O)c2cc3n(n2)CCCN(C(=O)C)C3)c1	PC-id_95143138,ZINC22_65500497	370.445	MNFCYBZAWIKHLT-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093990
COc1cccc([C@H](C)N(C)C(=O)c2cc3n(n2)CCCN(C(=O)C)C3)c1	ZINC22_65500491,PC-id_95143136	370.445	MNFCYBZAWIKHLT-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093991
COCc1nnc2n1CCC(CC2)NC(=O)C1(CC1)c1ccc(cc1)OC	PC-id_91922600,EMOLS-id_50590339,MCULE-9007307786	370.445	MMQRTHNFLDUIRM-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-093992
COCCn1nc2n(c1=O)CCC(CC2)CC(=O)N1CCc2c1cccc2	EMOLS-id_207877346,MCULE-2163740226	370.445	GYWUYKIJLDYWBP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-093993
COC(=O)c1cccc(C(C)C)c1CCCn1cnc2c1NC=NCC2O	PC-id_10666854,CHEMBL37027,BindingDB_PC-id_10666854	370.445	RHDPBOUWWSXIQJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093994
n12CCC(CCc1nn(CCOc1ccccc1)c2=O)C(=O)NCC1CC1	MCULE-2387449855,EMOLS-id_207876644	370.445	FWCCIMSYTBKXIT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-093995
O1C(CCC1)COc1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266274	370.445	HJLSXXLLJNAVIO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-093996
OC1c2n(CCCCC(c3ccccc3)C(=O)OCC)cnc2NC=NC1	PC-id_10666855	370.445	ZOUILULVRMNVHV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-093997
O=C1NCCCC[C@H]1Oc1ccc(OCc2nnc3n2CCCCC3)cc1	ZINC22_278637468	370.445	LCVRBNLDRMMRIY-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093998
O=C1N(CCCn2nc(cc12)C(=O)NCCCOC)Cc1ccc(cc1)C	PC-id_16028366	370.445	ARNDVMYWJWBINH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-093999
O=C(c1cc(C2CC2)on1)N1Cc2ccnn2C[C@@H](OCC2CCCC2)C1	ZINC22_247808964	370.445	CZXRCNGDZPTUAT-KRWDZBQOSA-N	00100010100000000101100000000010000000000000000000000000	31-01-094000
O=C(c1cc(C2CC2)on1)N1Cc2ccnn2C[C@H](OCC2CCCC2)C1	ZINC22_247808968	370.445	CZXRCNGDZPTUAT-QGZVFWFLSA-N	00100010100000000101100000000010000000000000000000000000	31-01-094001
OC(c1ccccc1)CC1COCCN1C(=O)C1CCn2c(CC1)nnc2	MCULE-1256544881,EMOLS-id_320126296	370.445	NIQFFLQMMMLKBN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094002
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1OCC1CCCCO1	EMOLS-id_319493856	370.445	ZATMXHSLPXOSBS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094003
O=C(CCc1ccccc1C(=O)O)NCCCc1nnc2n1CCCCC2	MCULE-1604377368,PC-id_120229846,EMOLS-id_72074612	370.445	FNYQEXILMHNSMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094004
O=C(CCc1ccc(cc1)C(=O)O)NCCCc1nnc2n1CCCCC2	MCULE-2371097487,PC-id_119186765,EMOLS-id_52071339	370.445	ZUFUOHCKEZZCIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094005
O=C(COC1CCCC1)N1Cc2ccnn2C[C@@H](OCc2ccccn2)C1	ZINC22_247731965	370.445	HRCIHGCPLJXXER-IBGZPJMESA-N	00000010100000101101000000000010000000000000000000000000	31-01-094006
O=C(COC1CCCC1)N1Cc2ccnn2C[C@H](OCc2ccccn2)C1	ZINC22_247731970	370.445	HRCIHGCPLJXXER-LJQANCHMSA-N	00000010100000101101000000000010000000000000000000000000	31-01-094007
O=C(COC1CCCC1)N1Cc2ccnn2C[C@@H](OCc2cccnc2)C1	ZINC22_247730668	370.445	GUOPJVMUQKPYPD-IBGZPJMESA-N	00000010100000101101000000000010000000000000000000000000	31-01-094008
O=C(COC1CCCC1)N1Cc2ccnn2C[C@H](OCc2cccnc2)C1	ZINC22_247730669	370.445	GUOPJVMUQKPYPD-LJQANCHMSA-N	00000010100000101101000000000010000000000000000000000000	31-01-094009
O=C(COC1CCCC1)N1CC(Cn2nccc2C1)OCc1ccccn1	EMOLS-id_50008480	370.445	HRCIHGCPLJXXER-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-094010
O=C(COC1CCCC1)N1CC(Cn2nccc2C1)OCc1cccnc1	EMOLS-id_50007228	370.445	GUOPJVMUQKPYPD-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-094011
O=C(N1CCC(CC1)Oc1ccccc1)Cn1nc2n(c1=O)CCCCC2	PC-id_86833893	370.445	ZTSJTTIVBGLUOS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094012
O=C(N1CC(Cn2nccc2C1)OCC1CCCC1)c1cc(on1)C1CC1	EMOLS-id_50015008	370.445	CZXRCNGDZPTUAT-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-094013
O=C(N(Cc1ccccc1O)CC1CCCO1)C1CCn2c(CC1)nnc2	EMOLS-id_320144773,MCULE-9649887097	370.445	CTFSNCMZQLVEDK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094014
O=C(NCc1n2CCCCCc2nn1)CCC(=O)c1ccc(OCC)cc1	PC-id_46447281	370.445	PFEJUWYBOPRYJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094015
O=C(NCCc1n2CCCCCc2nn1)c1cc(OC)c(OCC=C)cc1	PC-id_51304528	370.445	USVFDCCBENFTOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094016
O=C(NCCc1n2CCCCCc2nn1)Cc1c(OC)ccc(c1)C(=O)C	PC-id_60361139	370.445	LSFNDNZZLXVHCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094017
O=C(NCCc1n2CCCCCc2nn1)/C=C/c1cc(OC)cc(OC)c1	PC-id_51307481	370.445	KADFWEYTLAJYNK-BQYQJAHWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094018
O=C(NCCc1n2CCCCCc2nn1)C=Cc1cc(OC)cc(OC)c1	PC-id_75625041	370.445	KADFWEYTLAJYNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094019
O=C(NCCc1n2CCCCCc2nn1)/C=C/c1cc(OC)c(OC)cc1	PC-id_51307442	370.445	GAYGOYKSFHZKSW-CSKARUKUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094020
O=C(NCCc1n2CCCCCc2nn1)C=Cc1cc(OC)c(OC)cc1	PC-id_75625035	370.445	GAYGOYKSFHZKSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094021
OC(=O)CCc1ccccc1C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_320316728,MCULE-8852172140	370.445	WZQUGXBXBORXJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094022
O=C(OC(C)(C)C)Cc1ccccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278160928	370.445	YXPKMWYKRYCNIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094023
OC(=O)CCC(=O)N1CCc2n(nnc2[C@@H]([C@H](C1)C)C)Cc1ccccc1	SCHEMBL18032555,PC-id_122502510	370.445	UFYHCAWUGFMFBN-LSDHHAIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094024
OC(=O)CCC(=O)N1CCc2nnn(c2[C@@H]([C@H](C1)C)C)Cc1ccccc1	SCHEMBL18032556,PC-id_122502511	370.445	FWGVSEAWZMZPAS-LSDHHAIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094025
C1CCc2nnc(n2CC1)C(=Cc1ccccc1OCc1ccccc1)C#N	EMOLS-id_26092965,PC-id_86776442,MCULE-5744816823	370.447	KCYOLPIJJAUCML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094026
C[C@H](c1cc2n(n1)CCCN(C2)S(=O)(=O)c1scc(c1)C(=O)N)O	PC-id_99971894	370.447	HWUSAJUGZQRTHB-SECBINFHSA-N	00000000100100000101000000000010000000000000000000000000	31-01-094027
C[C@@H](c1cc2n(n1)CCCN(C2)S(=O)(=O)c1scc(c1)C(=O)N)O	PC-id_99971895	370.447	HWUSAJUGZQRTHB-VIFPVBQESA-N	00000000100100000101000000000010000000000000000000000000	31-01-094028
Nc1ccc(cc1)c1ccc(o1)CCCNC(c1ccc2-c1ccccc2)C	PC-id_68814036,SCHEMBL3852670	370.487	ARPAGXNKFNTBTE-UHFFFAOYSA-N	00000010101000110110100000000010000000000000000000000000	31-01-094324
CC(O)c1cc2CN(CCCn2n1)S(=O)(=O)c1cc(cs1)C(=O)N	PC-id_91762643,MCULE-2511733900,EMOLS-id_55610215	370.447	HWUSAJUGZQRTHB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-094029
Cn1cc(c(=O)n(c1=O)C)S(=O)(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110799361	370.447	DSKLFLNGVWAMLK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-094030
CNC(=O)c1cc(cs1)S(=O)(=O)N1CCCn2nc(CO)cc2C1	MCULE-1226724805,PC-id_91770144,EMOLS-id_55631482	370.447	FNBXBOOZTCRRJT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-094031
N#C/C(=C/c1cccc(c1)OCc1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3456397,PC-id_75460356	370.447	CMRHFQNTNXQOGB-ZHZULCJRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094032
N#C/C(=C/c1ccccc1OCc1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3456451	370.447	KCYOLPIJJAUCML-HKWRFOASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094033
N#CC(=Cc1cccc(c1)OCc1ccccc1)c1nnc2n1CCCCC2	EMOLS-id_26092913,PC-id_4069367,MCULE-3840639037	370.447	CMRHFQNTNXQOGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094034
N#C/C(=Cc1cccc(c1)OCc1ccccc1)/c1nnc2n1CCCCC2	PC-id_6002392,CoCoCo_3456396	370.447	CMRHFQNTNXQOGB-XSFVSMFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094035
N#C/C(=Cc1ccccc1OCc1ccccc1)/c1nnc2n1CCCCC2	PC-id_6214086,CoCoCo_3456450	370.447	KCYOLPIJJAUCML-HMMYKYKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094036
O(c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1)Cc1ccccc1	PC-id_78565661	370.447	WWYWKMZIAYZUKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094037
O(c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)Cc1ccccc1	PC-id_7911810	370.447	WWYWKMZIAYZUKW-HMMYKYKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094038
O=C(c1ccc(cc1)CCn1ncc2c1C=CCC=C2)Nc1ccccc1N	PC-id_143397920	370.447	OVMONSOTSRHUPU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-094039
O=C(c1ccc(cc1)C(n1ncc2c1CC=CC=C2)C)Nc1ccccc1N	PC-id_143397938	370.447	CBUBLWAUQVZSPP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-094040
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)Cn1c(C)ccn1	EMOLS-id_46091643,ZINC22_92001937,PC-id_72929390,MCULE-9355996995	370.449	AYIPWPDIVVBYBO-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-094041
c12CN(CCCn1nc(CCC(=O)NC(C)C)c2)C(=O)c1cnc(cn1)C	EMOLS-id_46038817,ZINC22_91434036,MCULE-7554656396,PC-id_72856640	370.449	SNOMOUQOLLXKED-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-094042
c12CN(CCCn1nc(CN1CCN(CC1)c1ccccn1)c2)C(=O)OC	PC-id_70743369,EMOLS-id_43124381,ZINC22_72430509,MCULE-7269023549	370.449	XNARUQQUWUJDGU-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-094043
c12CN(CCCn1nc(C#N)c2)C(=O)NCC1CC(=O)N(C2CCCC2)C1	EMOLS-id_177446972,MCULE-4084581591,PC-id_121505575	370.449	UIHKZWNDDVYDDV-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-094044
c12CN(CCCn1nc(CNC(=O)c1ccnc(CC)c1)c2)C(=O)N(C)C	PC-id_70750564,EMOLS-id_44439597,ZINC22_82121045,MCULE-8290806865	370.449	GATXYFBUSGUMDQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094045
c12CN(CCCn1nc(CNC(=O)c1cnn(CC)c1)c2)C(=O)C1CCC1	PC-id_70784380,ZINC22_82161623,EMOLS-id_44451325,MCULE-3527414093	370.449	AQHHCFLGCXCYHK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094046
c12CN(CCCn1nc(CNC(=O)CCc1ccccn1)c2)C(=O)N(C)C	PC-id_70757158,MCULE-3088361112,ZINC22_82129573,EMOLS-id_44441909	370.449	GJKIPLBXIJFAGL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094047
CC(c1cccnc1)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163324	370.452	IMNMQRPUCSDBIH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094124
c12CN(CCCn1nc(CNC(=O)CCc1cccnc1)c2)C(=O)N(C)C	PC-id_70786539,MCULE-9545369600,EMOLS-id_44452077,ZINC22_82166686	370.449	MOBPMAMIHSHQSZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094048
c12CN(CCCn1nc(CNC(=O)CCc1ccncc1)c2)C(=O)N(C)C	ZINC22_82099834,EMOLS-id_44431261,PC-id_70726947,MCULE-3656732510	370.449	VGKSZFVQTACNPU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094049
c12CN(CCCn1nc(CNC(=O)CCn1cccn1)c2)C(=O)C1CCC1	EMOLS-id_44447209,MCULE-4373238227,ZINC22_82145677,PC-id_70772694	370.449	QFVYGSBVCWVIQP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094050
c12CN(CCCn1nc(CNC(=O)[C@H](N)c1ccccc1)c2)C(=O)N(C)C	MCULE-3029355110,PC-id_70781500,ZINC22_82162195,EMOLS-id_44450259	370.449	NWBOBMAXDJIURL-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094051
c12CN(CCCn1nc(CNC(=O)Cn1ccc(C)n1)c2)C(=O)C1CCC1	EMOLS-id_44424579,MCULE-5559485276,PC-id_70707982,ZINC22_82087373	370.449	ZHVSZFXPVMODPZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094052
c12CN(CCCn1nc(CNC(=O)Cn1c(C)ccn1)c2)C(=O)C1CCC1	EMOLS-id_44451029,MCULE-4126666344,ZINC22_82161223,PC-id_70783541	370.449	YXFWKNDQBOPSBB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094053
c12CN(CCCn1nc(CNC(=O)NCc1ccccc1)c2)C(=O)N(C)C	MCULE-8186849750,EMOLS-id_44432723,ZINC22_82107044,PC-id_70730906	370.449	GMKZGYWKIYWLJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094054
c12C(=O)NCCCc1nc(NC(=O)c1csc(c3ccccc3)n1)s2	PC-id_72719955,MCULE-4337410469,ZINC22_211128190,EMOLS-id_50139179	370.449	KLNDJPZFORBKRI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094055
c12nnnn1CCCCC2C(=O)N1CCN(CC1)CCOc1ccccc1	EMOLS-id_316227887,MCULE-9954079080	370.449	CXIZBHWSKGYUDE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094056
c1(cn2c(CCN(CC2)C(=O)c2ccc[nH]2)n1)C(=O)N(C)C1CCN(C)C1	EMOLS-id_331118901,MCULE-4488750382	370.449	GYVMIOLUFBFTQG-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-094057
c1(cn(nc1C)C)C(=O)N1CCCn2nc(CCC(=O)NC3CC3)cc2C1	MCULE-4240971954,PC-id_72910121,EMOLS-id_46077521,ZINC22_91817720	370.449	PRSJIPHJVNWEPD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-094058
c1(C(O)C2CC2)cc2n(CCCN(C(=O)c3cnc(nc3)NC(C)C)C2)n1	MCULE-5411073400,PC-id_91769037,EMOLS-id_55628360	370.449	JZCIXMDMVSJDJZ-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-094059
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3cc(on3)C(C)C)C2)n1	MCULE-9879242868,PC-id_91787335,EMOLS-id_55680977	370.449	UFQSODFMJZBITQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094060
c1(C(=O)N2CCOCC2)cc2n(CCCN(Cc3cnn(CC=C)c3)C2)n1	EMOLS-id_32416612,PC-id_50973760,ZINC22_65456230,MCULE-3834503998	370.449	UWAJUTBRKRKYHX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094061
c1(C(=O)NCc2cc3n(CCCN(C(=O)C4CCC4)C3)n2)cc(n[nH]1)CC	ZINC22_82086668,PC-id_70706288,EMOLS-id_44423985,MCULE-6277721005	370.449	AVUJXEZPVVBPGD-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094062
c1(C(=O)NCc2cc3n(CCCN(C(=O)C4CCC4)C3)n2)cn(nc1C)C	ZINC22_77339483,EMOLS-id_43564005,PC-id_70720324,MCULE-1109243927	370.449	YBKIUBMIWYJKHR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094063
c1(C(=O)NCC(c2ccccn2)N2CCOCC2)nnc2CCCCCn12	EMOLS-id_177481592,MCULE-6708507431	370.449	OJAYMSHENOTUML-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094064
c1(C(=O)NCC(c2cccnc2)N2CCOCC2)cn2c(CCNCC2)n1	MCULE-1851898974,EMOLS-id_331132986	370.449	MKYWYSNUJMXJLQ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094065
c1(C(=O)NCCN(C)C)cc2n(CCCN(C2)C(=O)c2cnccc2C)n1	EMOLS-id_32388622,MCULE-5129543375,PC-id_50958921,ZINC22_65394722	370.449	NUBYHTMMFDTDEB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094066
c1(C(=O)NCCN(C)C)cc2n(CCCN(C2)C(=O)Nc2ccccc2)n1	ZINC22_65382345,PC-id_50954372,EMOLS-id_32379990,MCULE-7057803531	370.449	MMMXWINBLITMHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094067
Cc1ccc(cc1)OC1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163375	370.449	ZLXWQOHQOKUAIL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094068
CC1COC(CN1C(=O)NC1CCn2c(CC1)nnn2)c1ccccc1C	EMOLS-id_102164875	370.449	BJDSVKPFIMWIOE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094069
Cc1ncnc(C(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)c1C	EMOLS-id_313779146,ZINC22_1565542189	370.449	FZIPASMAYFKXBA-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-094070
CCc1ccc(cc1)C1OCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168898	370.449	HTDCBGILUKMALB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094071
CC(c1noc(c1)CN1CCCn2c(C1)cc(n2)[C@H](c1ccnn1C)O)C	PC-id_100014174	370.449	LOMDOCQEAXUKKF-LJQANCHMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094072
CC(c1noc(c1)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccnn1C)O)C	PC-id_100014178	370.449	LOMDOCQEAXUKKF-IBGZPJMESA-N	00000000100000000101000000000010000000000000000000000000	31-01-094073
CC(C)c1cc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)no1	ZINC22_222851775,PC-id_100154023	370.449	UFQSODFMJZBITQ-LJQANCHMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094074
CC(C)c1cc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)no1	ZINC22_230502512	370.449	UFQSODFMJZBITQ-IBGZPJMESA-N	00000000100000000101000000000010000000000000000000000000	31-01-094075
CC(C)c1noc(c1)CN1CCCn2c(cc(n2)C(c2ccnn2C)O)C1	PC-id_91762567	370.449	LOMDOCQEAXUKKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094076
CC(C)Nc1ncc(C(=O)N2CCCn3nc([C@@H](O)C4CC4)cc3C2)cn1	PC-id_100036244,ZINC22_219263881	370.449	JZCIXMDMVSJDJZ-KRWDZBQOSA-N	00100000100000100101000000000010000000000000000000000000	31-01-094077
CC(C)Nc1ncc(C(=O)N2CCCn3nc([C@H](O)C4CC4)cc3C2)cn1	PC-id_100036245,ZINC22_219263930	370.449	JZCIXMDMVSJDJZ-QGZVFWFLSA-N	00100000100000100101000000000010000000000000000000000000	31-01-094078
CC(C)N(C)CC(=O)N1Cc2ncnn2C[C@H](C(=O)Nc2ccccc2)C1	ZINC22_1565545259	370.449	CGQNHEUTXXBIEG-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094079
CC(C)N(C)CC(=O)N1Cc2ncnn2C[C@@H](C(=O)Nc2ccccc2)C1	ZINC22_1614927813	370.449	CGQNHEUTXXBIEG-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094080
CC(C)N(C)CC(=O)N1CC(Cn2ncnc2C1)C(=O)Nc1ccccc1	EMOLS-id_313724118	370.449	CGQNHEUTXXBIEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094081
CCNC(=NCc1ccc2c(c1)OCO2)NCc1nnc2n1CCCCC2	PC-id_111845469	370.449	AQQFTXHQGYYAQY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-094082
CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2nnc3n2CCCCC3)c1	CoCoCo_4790742,ZINC22_32801943,PC-id_40034899	370.449	AKOJCWUPVQZYRU-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094083
CC(=O)Nc1cccc([C@H](C)NC(=O)NCc2nnc3n2CCCCC3)c1	ZINC22_32801945,PC-id_40034902,CoCoCo_4790743	370.449	AKOJCWUPVQZYRU-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094084
Cn1ccc(CC(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)n1	ZINC22_585110635,EMOLS-id_313781961	370.449	QHPQFTFBZBZLAW-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-094085
CN1CC[C@H](N(C)C(=O)c2cn3c(n2)CCN(C(=O)c2ccc[nH]2)CC3)C1	ZINC22_1875250506	370.449	GYVMIOLUFBFTQG-AWEZNQCLSA-N	00000010110000000101000000000010000000000000000000000000	31-01-094086
CN1CC[C@@H](N(C)C(=O)c2cn3c(n2)CCN(C(=O)c2ccc[nH]2)CC3)C1	ZINC22_1875250507	370.449	GYVMIOLUFBFTQG-CQSZACIVSA-N	00000010110000000101000000000010000000000000000000000000	31-01-094087
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)C(=O)c1cc([nH]n1)C1CC1	EMOLS-id_50586173,MCULE-3269477548,PC-id_91922762	370.449	PUGNPXKDKIFLSS-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-094088
CN=C(NCc1ccc2c(c1)OCO2)NCCc1nnc2n1CCCCC2	PC-id_111845745	370.449	BNFPTCNMSZSZIY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-094089
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccc2c(c1)OCO2	PC-id_111379467	370.449	WXLAAHUQURIEJB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-094090
COc1cccc(c1)C1CC(CN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102167095	370.449	UZQPTCKGDLVQOL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094091
COc1cccc(c1)C1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102159061	370.449	FHHNIZYFTSUFAQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094092
COc1cccc(C[C@@H]2CCCN2C(=O)N[C@@H]2CCc3nnnn3CC2)c1	ZINC22_643388043	370.449	XUWRUTKPAFIYNM-CVEARBPZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094093
COc1cccc(C[C@@H]2CCCN2C(=O)N[C@H]2CCc3nnnn3CC2)c1	ZINC22_643388044	370.449	XUWRUTKPAFIYNM-HOTGVXAUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094094
COc1cccc(C[C@H]2CCCN2C(=O)N[C@@H]2CCc3nnnn3CC2)c1	ZINC22_643388045	370.449	XUWRUTKPAFIYNM-HZPDHXFCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094095
COc1cccc(C[C@H]2CCCN2C(=O)N[C@H]2CCc3nnnn3CC2)c1	ZINC22_643388046	370.449	XUWRUTKPAFIYNM-JKSUJKDBSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094096
COc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cn1	ZINC22_32882712,CoCoCo_4526323,PC-id_40117697,MCULE-6946659082,EMOLS-id_24492081	370.449	YNBDYRMPBUZTDC-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094097
n12CCCCCc1nnc2CNC(=O)C(c1cccnc1)N1CCOCC1	MCULE-2265272030,EMOLS-id_46644836,PC-id_72927047	370.449	XJLHKCADGBTSSH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094098
N#Cc1cc2n(n1)CCCN(C(=O)NC[C@@H]1CC(=O)N(C3CCCC3)C1)C2	ZINC22_426538464	370.449	UIHKZWNDDVYDDV-AWEZNQCLSA-N	00000010100000000101100000000010000000000000000000000000	31-01-094099
N#Cc1cc2n(n1)CCCN(C(=O)NC[C@H]1CC(=O)N(C3CCCC3)C1)C2	ZINC22_426538465	370.449	UIHKZWNDDVYDDV-CQSZACIVSA-N	00000010100000000101100000000010000000000000000000000000	31-01-094100
NC(=O)NCc1ccc(cc1)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_119110798,MCULE-3595300449,EMOLS-id_71707943	370.449	HHOWCFFDHAOIIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094101
OCC1(CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2)c1ccccc1	EMOLS-id_102161293	370.449	DLDYEIBJRRUUSN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094102
O=C(c1noc2c1CCCCC2)NCCN1CCN(CC1)c1ncccn1	EMOLS-id_100942197	370.449	UDYWWMUETRBQRK-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-094103
Fc1ccc(cc1)C1(CCCC1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101723073	370.464	JOFFKKWIQKAWIH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094144
O=C(CCc1cncnc1)N1CCc2ncc(CN3CCOCC3)n2CC1	EMOLS-id_313779402,ZINC22_1565546794	370.449	KIZVBHUHCGTCIV-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-094104
O=C([C@H]1CCCCn2nnnc12)N1CCN(CCOc2ccccc2)CC1	ZINC22_1506400350	370.449	CXIZBHWSKGYUDE-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094105
O=C([C@@H]1CCCCn2nnnc12)N1CCN(CCOc2ccccc2)CC1	ZINC22_1506400352	370.449	CXIZBHWSKGYUDE-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094106
O=C(COC1CCCC1)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_247733791	370.449	JIYRZKOTKXLJNL-HNNXBMFYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-094107
O=C(COC1CCCC1)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_247733792	370.449	JIYRZKOTKXLJNL-OAHLLOKOSA-N	00000010100000100101000000000010000000000000000000000000	31-01-094108
O=C(COC1CCCC1)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50375647	370.449	JIYRZKOTKXLJNL-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-094109
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(n1)CN1CCOCC1	MCULE-8081987730,EMOLS-id_257969449	370.449	SIEAKFHBICTNCT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094110
O=C(N1CCCn2nc(cc2C1)CNC(=O)C(N)c1ccccc1)N(C)C	PC-id_77918743	370.449	NWBOBMAXDJIURL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094111
O=C(NC(c1cccc(c1)NC(=O)C)C)NCc1nnc2n1CCCCC2	EMOLS-id_24037354,MCULE-6861496745,PC-id_42891841	370.449	AKOJCWUPVQZYRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094112
O=C(NCC1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccnnc1	EMOLS-id_55732826	370.449	QGKXENNGVMSFLW-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-094113
O=C(NCc1nnc2n1CCCCC2)[C@H](c1cccnc1)N1CCOCC1	PC-id_97207523,ZINC22_95387037	370.449	XJLHKCADGBTSSH-SFHVURJKSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094114
O=C(NCc1nnc2n1CCCCC2)[C@@H](c1cccnc1)N1CCOCC1	PC-id_97207524,ZINC22_95387038	370.449	XJLHKCADGBTSSH-GOSISDBHSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094115
O=C(NCCc1n2CCCCCc2nn1)NCCNC(=O)c1ccccc1	PC-id_55597311	370.449	YTCCJIHCWDMEGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094116
O=C(NC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccnnc1	ZINC22_306136910	370.449	QGKXENNGVMSFLW-INIZCTEOSA-N	00000000100010100101000000000010000000000000000000000000	31-01-094117
O=C(NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccnnc1	ZINC22_306136911	370.449	QGKXENNGVMSFLW-MRXNPFEDSA-N	00000000100010100101000000000010000000000000000000000000	31-01-094118
O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1nnc2n1CCCCC2	ZINC22_584900228	370.449	OJAYMSHENOTUML-INIZCTEOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094119
O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1nnc2n1CCCCC2	ZINC22_584900229	370.449	OJAYMSHENOTUML-MRXNPFEDSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094120
O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1cn2c(n1)CCNCC2	ZINC22_1875251462	370.449	MKYWYSNUJMXJLQ-KRWDZBQOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094121
O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1cn2c(n1)CCNCC2	ZINC22_1875251463	370.449	MKYWYSNUJMXJLQ-QGZVFWFLSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094122
Cc1nnsc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	MCULE-1581373608,PC-id_70726767,ZINC22_82099776,EMOLS-id_44431203	370.45	VEJGXUXWJHHBMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094123
n12CCCCCc1nnc2CNC(=O)CN1CCN(CC1)c1ncccn1	EMOLS-id_46630654,ZINC22_95376058,PC-id_72899179,MCULE-6162400219	370.452	JPGQSKNFMBHWKI-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-094125
CCOC(=O)c1sc(c2c1OCCCCCCCCO2)C(=O)OCC	PC-id_101801833	370.46	KPMAJLRBTFAQPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094126
FC(SCc1ccc(o1)CNCCCc1nnc2n1CCCCC2)F	PC-id_119110711	370.46	VCJFNYHPJSXWDJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-094127
CCOCCOCCNC(=O)C1(F)CCCCCc2c1nnn2CCC	PC-id_140917094	370.462	RBJYVFWYSNLKDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094128
c12CN(CCCn1nc(C)c2)C(=O)C(c1ccc(cc1)F)N1CCCCC1	EMOLS-id_55684099,PC-id_91840147,MCULE-8804471216	370.464	FGLXZWLRJBZOSU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094129
c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)Cc1ccccc1F	MCULE-9225164338,ZINC22_91390853,EMOLS-id_46036597,PC-id_72853524	370.464	IATSUESPNKVWIJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094130
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cc1C)F	ZINC22_82120697,PC-id_70749062,EMOLS-id_44439089,MCULE-4904227222	370.464	GLGCYBWUQZCVGC-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-094131
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cc1F)C	EMOLS-id_44430135,PC-id_70723650,ZINC22_82098534,MCULE-3554779243	370.464	BRZHHAKEQBVHJQ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-094132
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(c(C)c1)F	EMOLS-id_44434533,PC-id_70736109,MCULE-1796779659,ZINC22_82108430	370.464	IXKXXSHLHUJOCZ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-094133
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cc(C)ccc1F	ZINC22_82096859,MCULE-7437238111,PC-id_70717656,EMOLS-id_44428011	370.464	ALKAWWLQJNSEKB-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-094134
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cc(C)cc(F)c1	MCULE-1100211180,EMOLS-id_44452217,PC-id_70786969,ZINC22_82166943	370.464	NJXAQYJZVXOFAJ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-094135
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cccc(F)c1C	PC-id_70786952,EMOLS-id_44452211,ZINC22_82166934,MCULE-5366704182	370.464	YXNYELXPNPBZSW-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-094136
C1(c2ccc(cc2)F)(C(=O)NCc2cc3n(CCCN(CCC)C3)n2)CC1	MCULE-1748493101,EMOLS-id_44445331,ZINC22_82137580,PC-id_70767161	370.464	VWSJMCXMPOESLP-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-094137
C1(c2ccccc2F)(C(=O)NCc2cc3n(CCCN(CCC)C3)n2)CC1	PC-id_70745241,ZINC22_82116163,MCULE-6144792420,EMOLS-id_44437775	370.464	NSKFDSZAQMRYEK-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-094138
c1(C(=O)NC2CCN(CC2)Cc2ccc(cc2)F)c2CCCCCc2n[nH]1	STOCK7S-47969,MCULE-3371032988,ZINC22_96232808,EMOLS-id_50401518,PC-id_75357179,EMOLS-id_49250312	370.464	FHKFBXTVDKTJAV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094139
c1(C(=O)NC2CCN(CC2)Cc2cccc(F)c2)c2CCCCCc2n[nH]1	SYN-15646569,PC-id_46964175,EMOLS-id_24878324,MCULE-6135117750,ZINC22_12147359	370.464	AEUOTXADNHYGAJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094140
Cc1cc2n(n1)CCCN(C(=O)[C@H](c1ccc(F)cc1)N1CCCCC1)C2	ZINC22_252483649	370.464	FGLXZWLRJBZOSU-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094141
Cc1cc2n(n1)CCCN(C(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1)C2	ZINC22_252483650	370.464	FGLXZWLRJBZOSU-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094142
CCOC(=O)N1CCc2c(CC1)c(c(s2)NC(=O)OC(C)(C)C)OC	PC-id_68471368,SCHEMBL2998082	370.464	NNTRMAXSEBIBQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-094143
Fc1ccc(cc1)C1CCC(CC1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101709899	370.464	RVJGQXGQBHXQOH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094145
Fc1ccccc1CCC(=O)N1CC(CN2CCCC2)Cn2ccnc2C1	EMOLS-id_313722333	370.464	PWCJXCCAXZHWHR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094146
Fc1ccccc1CC(=O)N1CC(CCN2CCCC2)Cn2nccc2C1	EMOLS-id_50371949	370.464	CTLNVLUIAGDHSJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094147
Fc1ccc(cc1)CN(C(=O)C1CCn2c(CC1)nnc2)C1CCCCC1	EMOLS-id_278110852	370.464	ZIELAIFIWILKHN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094148
Fc1ccc(cc1)N1CCN(CC1)CCN1CCCc2c(C1=O)ccn2C	SCHEMBL6769628,PC-id_22737885	370.464	BMTJHRNFJPKHHO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094149
O=C(Cc1ccccc1F)N1Cc2ccnn2C[C@@H](CCN2CCCC2)C1	ZINC22_247808479	370.464	CTLNVLUIAGDHSJ-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094150
O=C(Cc1ccccc1F)N1Cc2ccnn2C[C@H](CCN2CCCC2)C1	ZINC22_247808482	370.464	CTLNVLUIAGDHSJ-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094151
O=C(CCc1ccccc1F)N1Cc2nccn2C[C@H](CN2CCCC2)C1	ZINC22_1565551636	370.464	PWCJXCCAXZHWHR-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094152
O=C(CCc1ccccc1F)N1Cc2nccn2C[C@@H](CN2CCCC2)C1	ZINC22_1614933678	370.464	PWCJXCCAXZHWHR-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094153
O=C(N1CCCc2c(C1)cnn2C)NC(c1ccccc1F)C1CCCC1	EMOLS-id_101714807	370.464	RWNVANRWSKMLFY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094154
S(CC(=O)c1c2-c(cc1)ccccc2)CC(=O)c1c2-c(cc1)ccccc2	PC-id_72712317	370.464	MZHBJCCHFNKMAY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-094155
c1(NC(=O)c2cc(cc(OC)c2)OC)sc2c(CCCCCC2)c1C#N	TIMTEC585418,MCULE-9782916495,PC-id_3533986,ZINC22_6126770,EMOLS-id_4047970,CoCoCo_6819770	370.465	YYSLXTMEOHEJRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094156
c1(NC(=O)C2C(C(=O)O)C3CC2C=C3)sc2c(CCCCCC2)c1C#N	PC-id_4385707,EMOLS-id_4047932,MCULE-4267901118,TIMTEC289317	370.465	LMIIDBUTDNKZTA-UHFFFAOYSA-N	00000011100000000100000000000110000000000000000000000000	31-01-094157
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C#N	BAS-03072315,CoCoCo_276787,STOCK2S-24782,MCULE-5529420911,PC-id_1149330,TIMTEC389872,ZINC22_894732,EMOLS-id_1093950	370.465	PUQRYNOIWFQEQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094158
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)N	MCULE-1708943950,PC-id_1290073	370.465	IOLXLIZRPXMYLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094159
Cc1ccc(cc1)C(=O)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_44524372,PC-id_60403548,MCULE-6446181420	370.465	OWKJNGOUFKETSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094160
C/C=CC=C/C=C/CCC(=O)NC1=CC=c2c(=CC1)cc(s2)C(=O)NO	PC-id_143296528	370.465	VFARGZPVHKYKRT-MUVPYGFYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-094161
C=C/C=CC=C(CCC(=O)NC1=CC=c2c(=CC1)cc(s2)C(=O)NO)/C	PC-id_143296616	370.465	GRZDBDGGLJNYBR-VLZWCJPISA-N	00000000100000000110000000000010000000000000000000000000	31-01-094162
CC(=O)/C(=C(c1ccc(cc1)OC)/O)/C=N/c1nc2c(s1)CCCCC2	PC-id_135672209	370.465	BXKIOPYPBDGUIO-DLGPIUQWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094163
COc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	CoCoCo_898133	370.465	IOLXLIZRPXMYLV-XFXZXTDPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094164
COc1ccc(cc1)CNC(=O)C=CC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_316563471	370.465	UIZIXIHROAOHMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094165
COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	PC-id_1290075,ZINC22_1111753,EMOLS-id_25949622,CoCoCo_898132,TIMTEC221143	370.465	IOLXLIZRPXMYLV-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094166
COCc1c(C(=O)Nc2nc3c(s2)CCCCCC3)oc2ccccc12	EMOLS-id_35734369,PC-id_53508403,MCULE-9237116720,ZINC22_65488250	370.465	RHWVMLQCMJUAMG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094167
N#Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCC2	PC-id_40569478,ZINC22_5897548,CoCoCo_6803082	370.465	LMIIDBUTDNKZTA-YIFBXAAPSA-N	00000011100000000100000000000110000000000000000000000000	31-01-094168
N#Cc1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_239338960	370.465	LMIIDBUTDNKZTA-IYVPYFHTSA-N	00000011100000000100000000000110000000000000000000000000	31-01-094169
N#Cc1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_239338961	370.465	LMIIDBUTDNKZTA-MWDDYTRKSA-N	00000011100000000100000000000110000000000000000000000000	31-01-094170
N#Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_5897536,CoCoCo_6803078,PC-id_51417758	370.465	LMIIDBUTDNKZTA-AWBCAMRRSA-N	00000011100000000100000000000110000000000000000000000000	31-01-094171
N#Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_6803079	370.465	LMIIDBUTDNKZTA-CZAMWMTLSA-N	00000011100000000100000000000110000000000000000000000000	31-01-094172
N#Cc1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_6803080	370.465	LMIIDBUTDNKZTA-SONRMIBWSA-N	00000011100000000100000000000110000000000000000000000000	31-01-094173
N#Cc1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_6803081	370.465	LMIIDBUTDNKZTA-JQHQGBHXSA-N	00000011100000000100000000000110000000000000000000000000	31-01-094174
N#Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_6803083,PC-id_27520199	370.465	LMIIDBUTDNKZTA-FCLUMBPUSA-N	00000011100000000100000000000110000000000000000000000000	31-01-094175
N#Cc1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_6803084	370.465	LMIIDBUTDNKZTA-LZDSYCOUSA-N	00000011100000000100000000000110000000000000000000000000	31-01-094176
N#Cc1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_6803085	370.465	LMIIDBUTDNKZTA-HJSHSUPBSA-N	00000011100000000100000000000110000000000000000000000000	31-01-094177
N#Cc1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCC2	PC-id_98292233,ZINC22_102233810	370.465	LMIIDBUTDNKZTA-NQERCMRGSA-N	00000011100000000100000000000110000000000000000000000000	31-01-094178
N#Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCC2	PC-id_98292234,ZINC22_102233817	370.465	LMIIDBUTDNKZTA-SYWGBEHUSA-N	00000011100000000100000000000110000000000000000000000000	31-01-094179
NC(=O)c1c(NC(=O)Cc2ccc3c(c2)CCO3)sc2c1CCCCC2	PC-id_71900122,EMOLS-id_44521095,MCULE-7596998982,ZINC22_84452506	370.465	TYSPRDNXRBHXJH-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-094180
O=C(C1CC1)Nc1cccc(c1)OCC(=O)N1CCCCc2c1ccs2	EMOLS-id_318193308	370.465	QGWPWMRQEQYSQC-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-094181
O=C(c1cc2c(s1)CCCCC2)NCCC1(O)C(=O)Nc2c1cccc2	EMOLS-id_258202600,MCULE-3494497172	370.465	HPBPCMCGHLNHSQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-094182
O=C(NCc1cccc(N2CCOC2=O)c1)c1cc2c(s1)CCCCC2	EMOLS-id_33357619,PC-id_51122362,MCULE-8970608115,ZINC22_56963358	370.465	GXDJLBDLNQTFQX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094183
O=C(OCCCn1c(=O)[nH]c2ccccc12)c1cc2c(s1)CCCCC2	ZINC22_23761320,PC-id_47093835,EMOLS-id_45701178,MCULE-4059901547	370.465	UEWUKYSWWHRHJU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094184
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1ccc(OC)cc1	PC-id_84974429	370.465	XXEVOIMGBRZATN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094185
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1ccc(OC)cc1	PC-id_9301138	370.465	XXEVOIMGBRZATN-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094186
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1c(OC)cccc1	PC-id_84974443	370.465	MFXBBMLTMLEOJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094187
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1c(OC)cccc1	PC-id_9301231	370.465	MFXBBMLTMLEOJU-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094188
s1c2CCCCCc2cc1C(=O)NNC(=O)CCC(=O)c1ccccc1	PC-id_9301275	370.465	HTGLHOCOKBWVGG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094189
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C(=O)C)C(=O)NC	PC-id_7475069	370.465	IMVCRFXMIYOMOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094190
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1c(OC)cccc1)C(=O)N	PC-id_55334078	370.465	HDVPDSFIFLWRKY-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094191
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1c(OC)cccc1)C(=O)N	PC-id_76228126	370.465	HDVPDSFIFLWRKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094192
s1c2CCCCCc2nc1N/C=C(C(=O)c1ccc(OC)cc1)/C(=O)C	PC-id_21236052	370.465	XOQQTFUQIBHWFO-VBKFSLOCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094193
s1c2CCCCCc2nc1NC=C(C(=O)c1ccc(OC)cc1)C(=O)C	PC-id_73750483	370.465	XOQQTFUQIBHWFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094194
s1c2CCCCCCc2cc1C(=O)Nc1c(N2CCOC2=O)cccc1	PC-id_56323750	370.465	ZUCXUVYNXXDALF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094195
s1c2CCCCCCc2cc1C(=O)NN=Cc1c(cccc1)C(=O)OC	PC-id_84960339	370.465	VJSBIWFPSFWXIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094196
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1Oc2c(C1)cccc2	PC-id_84927160	370.465	JUFJTEDQWDYHPJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-094197
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@@H]1Oc2c(C1)cccc2	PC-id_9089403	370.465	JUFJTEDQWDYHPJ-MRXNPFEDSA-N	00000010100000100100000000001010000000000000000000000000	31-01-094198
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@H]1Oc2c(C1)cccc2	PC-id_9089404	370.465	JUFJTEDQWDYHPJ-INIZCTEOSA-N	00000010100000100100000000001010000000000000000000000000	31-01-094199
s1c2CCCCCCc2c(c1NC(=O)c1cc(OC)c(OC)cc1)C#N	PC-id_4592514	370.465	FQVGOXDBPLQAKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094200
s1c2CCCCCCc2c(c1NC(=O)c1c(OC)cccc1OC)C#N	PC-id_5084877	370.465	IEAZBBTUPRYQDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094201
s1c2CCCCCCc2c(c1NC(=O)c1c(OC)cc(OC)cc1)C#N	PC-id_5176968	370.465	BMTRKXOKIMSDKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094202
c1(C(=O)N2CCOCC2)cc2n(CCCN(C2)S(=O)(=O)CCCC)n1	ZINC22_65396478,PC-id_50960336,MCULE-9297401162,EMOLS-id_32391304	370.467	VAOQVKYBLBDGGO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094203
CC1(CCCCO1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_44427605,PC-id_70716512,MCULE-1137251901	370.467	YOJXGTWKAJHXTO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094204
CC1CCN(CC1)S(=O)(=O)N1CCCn2nc(CCC(=O)O)cc2C1	MCULE-6645542190,EMOLS-id_43103149,ZINC22_72423442,PC-id_70731606	370.467	UJLRYKJKVALMLJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094205
C[C@]1(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)CCCCO1	ZINC22_82096560,PC-id_96572730	370.467	YOJXGTWKAJHXTO-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094206
C[C@@]1(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)CCCCO1	ZINC22_82096561,PC-id_96572731	370.467	YOJXGTWKAJHXTO-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094207
CN=C(NCC1(CC1)c1cccc(c1)F)NCc1nnc2n1CCCCC2	PC-id_111638366	370.467	KHUSXVQAVMFIIF-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-094208
CN=C(NCC1(CC1)c1ccccc1F)NCc1nnc2n1CCCCC2	PC-id_112250151	370.467	ODUHSKIUZAIJFL-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-094209
COCC1(CCC1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70730907,EMOLS-id_44432725,ZINC22_82107045,MCULE-3237032245	370.467	OTWUFXMCRMCSSO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094210
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)Cc1n[nH]c2c1CCCCC2	EMOLS-id_177480067,ZINC22_584900026,MCULE-3532633273	370.467	WCVIIRXLTBLWPB-HUUCEWRRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094211
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)Cc1n[nH]c2c1CCCCC2	ZINC22_1565527770	370.467	WCVIIRXLTBLWPB-GJZGRUSLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094212
CS(=O)(=O)CCC(=O)N1CCc2ncc(CN3CCOCC3)n2CC1	EMOLS-id_313778890,ZINC22_1565547401	370.467	PGZSKVAHWVLIRE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094213
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)NCCN1CCOCC1	MCULE-4971457618,EMOLS-id_317417051	370.467	PIOYFCRYKAKXDA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094214
CS(=O)(=O)NCC1CN(Cc2ccnn2C1)C(=O)COC1CCCC1	EMOLS-id_50371045	370.467	KGKQTECXBAPGRC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094215
CS(=O)(=O)NCCC1CN(Cc2ccnn2C1)C(=O)C1CCOCC1	EMOLS-id_50376789	370.467	KMSLSNGATWQTAT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094216
CS(=O)(=O)NCC[C@@H]1CN(C(=O)C2CCOCC2)Cc2ccnn2C1	ZINC22_247518230	370.467	KMSLSNGATWQTAT-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094217
CS(=O)(=O)NCC[C@H]1CN(C(=O)C2CCOCC2)Cc2ccnn2C1	ZINC22_247518236	370.467	KMSLSNGATWQTAT-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094218
CS(=O)(=O)NC[C@@H]1CN(C(=O)COC2CCCC2)Cc2ccnn2C1	ZINC22_247517320	370.467	KGKQTECXBAPGRC-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094219
CS(=O)(=O)NC[C@H]1CN(C(=O)COC2CCCC2)Cc2ccnn2C1	ZINC22_247517329	370.467	KGKQTECXBAPGRC-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094220
OC(C1CCC1)c1cc2CN(CCCn2n1)S(=O)(=O)N1CCOCC1	MCULE-1913070355,PC-id_91776934,EMOLS-id_55650881	370.467	MOMRIDIWBISBHT-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-094221
O=S(=O)(N1CCOCC1)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1	PC-id_100054279,ZINC22_220197715	370.467	MOMRIDIWBISBHT-INIZCTEOSA-N	00001000100010000101000000000010000000000000000000000000	31-01-094222
O=S(=O)(N1CCOCC1)N1CCCn2nc([C@H](O)C3CCC3)cc2C1	PC-id_100054282,ZINC22_220197778	370.467	MOMRIDIWBISBHT-MRXNPFEDSA-N	00001000100010000101000000000010000000000000000000000000	31-01-094223
S1(=O)(=O)CC(N(CCC)C(=O)Cn2nc3n(CCCCC3)c2=O)CC1	PC-id_55478066	370.467	HWRPXKRADCYJSX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094224
c12CN(CCCn1nc(CN(C)Cc1ccsc1)c2)C(=O)c1ccco1	PC-id_56915269,MCULE-9502104574,ZINC22_72479191,EMOLS-id_43174975	370.469	TYDLFFPGXYCFPV-UHFFFAOYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-094225
c1(cc2c(ccs2)[nH]1)C(=O)N1CCCn2c(cc(n2)C(O)C2CCC2)C1	PC-id_90647329,MCULE-1471237947,EMOLS-id_50525755	370.469	LVJGJDWUZPWNDD-UHFFFAOYSA-N	00001000100000000101000100000010000000000000000000000000	31-01-094226
c1(sc2c(CCCCC2)n1)NC(=O)c1cc(C(C)C)nc2onc(C)c12	MCULE-7231150753,PC-id_112808178,EMOLS-id_320534827	370.469	SBAFCCWUCWPWCB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094227
Cc1ccc(CN2Cc3ccnn3C[C@@H](CNC(=O)c3ccco3)C2)s1	ZINC22_248103304	370.469	ONEGBNZEKOLHEX-HNNXBMFYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-094228
Cc1ccc(CN2Cc3ccnn3C[C@H](CNC(=O)c3ccco3)C2)s1	ZINC22_248103309	370.469	ONEGBNZEKOLHEX-OAHLLOKOSA-N	00000000101100000101000000000010000000000000000000000000	31-01-094229
Cc1ccc(CN2CC(CNC(=O)c3ccco3)Cn3nccc3C2)s1	EMOLS-id_50371851	370.469	ONEGBNZEKOLHEX-UHFFFAOYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-094230
Cc1ccc(s1)CN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccco1	EMOLS-id_319354284	370.469	GSOMUSBZUVZBGO-UHFFFAOYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-094231
Cc1ccsc1CN1Cc2ccnn2C[C@@H](CNC(=O)c2ccco2)C1	ZINC22_253599849	370.469	VKUCSDSFQGQQPE-HNNXBMFYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-094232
Cc1ccsc1CN1Cc2ccnn2C[C@H](CNC(=O)c2ccco2)C1	ZINC22_253599851	370.469	VKUCSDSFQGQQPE-OAHLLOKOSA-N	00000000101100000101000000000010000000000000000000000000	31-01-094233
Cc1ccsc1CN1CC(CNC(=O)c2ccco2)Cn2nccc2C1	EMOLS-id_50374879	370.469	VKUCSDSFQGQQPE-UHFFFAOYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-094234
Cc1nn(C)c(=O)c(c2nc(CN3CCCc4occc4C3)cs2)c1C	MCULE-3485644172,ZINC22_288661768,EMOLS-id_177244229	370.469	BRJQOKRYPURXLZ-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-094235
C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1cc2ccccc2o1	CoCoCo_4054352,ZINC22_7281002,PC-id_8379532	370.469	QMAPLMNHWPVTKG-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094236
C[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1cc2ccccc2o1	ZINC22_7280996,PC-id_8379528,CoCoCo_4054353	370.469	QMAPLMNHWPVTKG-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094237
C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1nc3ccccc3s1)C2	PC-id_100066662,ZINC22_221284123	370.469	UWVFSLPVCBIPPP-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094238
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1nc3ccccc3s1)C2	ZINC22_221284176,PC-id_100066663	370.469	UWVFSLPVCBIPPP-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094239
CCn1c(=O)n(CC(=O)Nc2nc3c(s2)CCCCC3)c2ccccc12	CoCoCo_4546254,PC-id_16605148,ZINC22_14806995,MCULE-1069093497,EMOLS-id_44038062	370.469	KZGJZYVLPBZVTP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094240
CC(O)c1cc2CN(CCCn2n1)C(=O)CCc1nc2ccccc2s1	PC-id_90652235,MCULE-2131382866,EMOLS-id_50543923	370.469	UWVFSLPVCBIPPP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094241
COc1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)cc1OC	ZINC22_3236052,CoCoCo_3697596,PC-id_2353877,MCULE-7494391112	370.469	BNRJAZHWYUDYMY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094242
COc1ccc(cn1)NC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	PC-id_42945448,MCULE-6185472783,EMOLS-id_17205411	370.469	LYGGSXJVRAYJTF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-094243
COc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1	CoCoCo_4694844,PC-id_32301627,ZINC22_24992558	370.469	LYGGSXJVRAYJTF-LBPRGKRZSA-N	00000000100000101100000000000010000000000000000000000000	31-01-094244
COc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1	PC-id_32301630,CoCoCo_4694845,ZINC22_24992561	370.469	LYGGSXJVRAYJTF-GFCCVEGCSA-N	00000000100000101100000000000010000000000000000000000000	31-01-094245
CSCc1c(C(=O)NCc2nnc3n2CCCCC3)oc2ccccc12	PC-id_45859659,ZINC22_40012916,EMOLS-id_30238387,MCULE-5792178570	370.469	JGZPTIYJFSYWJS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094246
n12CCCNCc1cc(CNC(=O)CCc1ccc(c3cccs3)o1)n2	MCULE-2290853080,EMOLS-id_44431989,PC-id_70729038,ZINC22_82106531	370.469	BPSNNZCZCYMRRF-UHFFFAOYSA-N	00000000101100000101100000000010000000000000000000000000	31-01-094247
N#Cc1c(sc2c1CCCCCC2)NC(=O)c1c(C)c(C)nn(c1=O)C	EMOLS-id_110490277	370.469	DGEQZCUKWIJZBN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-094248
o1c(c(C[NH+](CC)CC)cc1C(=O)N1CCCn2nc(cc2C1)C#N)CC	PC-id_52397591	370.469	DZGZXLQAQGVTMR-UHFFFAOYSA-O	00000000101000000101000000000010000000000000000000000000	31-01-094249
O=C1NCCN(C1c1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98030377	370.469	DJJZXRWHKGRXAE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094250
O=C1NCCN(C1)c1ccc(cn1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_99154756	370.469	ZJRUDFWTMDPQEM-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-094251
O=C(c1cccnc1)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1	ZINC22_96146998,PC-id_97442522,EMOLS-id_44303964	370.469	KUPFJIORXBYLIB-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094252
O=C(c1nc2c(s1)CCN(CC2)C(=O)c1ccncc1)N1CCCCC1	PC-id_97524703	370.469	WDFRLHMYMFACPB-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094253
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccc(cc1)N1CCCC1=O	CoCoCo_4074852,CoCoCo_4074853	370.469	BMYVFIGKUCWONX-DTQAZKPQSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094254
O/C(=CSc1nnc2n1CCCCC2)/c1ccc(cc1)N1CCCC1=O	CoCoCo_4074854,CoCoCo_4074851	370.469	BMYVFIGKUCWONX-SSZFMOIBSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094255
O/C(=CSc1nnc2n1CCCCC2)/c1cccc(c1)N1CCCC1=O	CoCoCo_4173123,CoCoCo_4173126	370.469	NCUVGAWZBQTZAP-SSZFMOIBSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094256
O/C(=C/Sc1nnc2n1CCCCC2)/c1cccc(c1)N1CCCC1=O	CoCoCo_4173125,CoCoCo_4173124	370.469	NCUVGAWZBQTZAP-DTQAZKPQSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094257
O=C(CSc1nnc2n1CCCCC2)c1cccc(N2CCCC2=O)c1	PC-id_17454064,EMOLS-id_13505421,ZINC22_12794546,CoCoCo_4173122,MCULE-1075561067	370.469	SWKCUWTXRUVRKB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094258
O=C(CSc1nnc2n1CCCCC2)c1ccc(N2CCCC2=O)cc1	EMOLS-id_15282374,ZINC22_7642017,CoCoCo_4074850,MCULE-3233824959,PC-id_8748844	370.469	HETQJPCQCXJAID-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094259
O[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1cc2c([nH]1)ccs2)C1CCC1	PC-id_100003794	370.469	LVJGJDWUZPWNDD-SFHVURJKSA-N	00001000100000000101000100000010000000000000000000000000	31-01-094260
O[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1cc2c([nH]1)ccs2)C1CCC1	PC-id_100003797	370.469	LVJGJDWUZPWNDD-GOSISDBHSA-N	00001000100000000101000100000010000000000000000000000000	31-01-094261
O=C(Nc1ccccc1)C1C[NH+](CCC1)Cn1nc2n(c1=O)CCCCC2	PC-id_74485704	370.469	MHWAHTIZAXIYNM-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-094262
O=C(Nc1ccccc1)[C@H]1C[NH+](CCC1)Cn1nc2n(c1=O)CCCCC2	PC-id_25958606	370.469	MHWAHTIZAXIYNM-MRXNPFEDSA-O	00000000100010110101000000000010000000000000000000000000	31-01-094263
O=C(Nc1ccccc1)[C@@H]1C[NH+](CCC1)Cn1nc2n(c1=O)CCCCC2	PC-id_25958608	370.469	MHWAHTIZAXIYNM-INIZCTEOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-094264
O=C(Nc1cccc(c1)C(=O)Nc1nc2c(s1)CCCCC2)NC1CC1	PC-id_94582299	370.469	IVRGCVHWQSNIDU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-094265
O=C(Nc1ccccc1)N1CCc2nc(C(=O)N3CCCC3)sc2CC1	EMOLS-id_44304044,ZINC22_96147037,PC-id_97442561	370.469	SQTVQKIWVRDSEO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094266
O=C(Nc1nc2c(s1)CCCCC2)Nc1ccc2c(c1)CCN2C(=O)C	EMOLS-id_110342315	370.469	VCUVYUCXUNQIPZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-094267
O=C(NC(c1cc2c(o1)cccc2)C)CSc1nnc2n1CCCCC2	EMOLS-id_3672615,PC-id_16311803,MCULE-8781769814	370.469	QMAPLMNHWPVTKG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094268
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(OC)cc1)C)C1CC1	PC-id_74494416	370.469	CWZZJCBWISRHBG-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-094269
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(OC)ccc1)C)C1CC1	PC-id_74494350	370.469	GAQDNZKVEHNHDJ-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-094270
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(OC)cc1)C)C1CC1	PC-id_26280962	370.469	CWZZJCBWISRHBG-CQSZACIVSA-O	00100000100000110101000000000010000000000000000000000000	31-01-094271
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(OC)cc1)C)C1CC1	PC-id_26280965	370.469	CWZZJCBWISRHBG-AWEZNQCLSA-O	00100000100000110101000000000010000000000000000000000000	31-01-094272
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)ccc1)C)C1CC1	PC-id_26280460	370.469	GAQDNZKVEHNHDJ-CQSZACIVSA-O	00100000100000110101000000000010000000000000000000000000	31-01-094273
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)ccc1)C)C1CC1	PC-id_26280462	370.469	GAQDNZKVEHNHDJ-AWEZNQCLSA-O	00100000100000110101000000000010000000000000000000000000	31-01-094274
s1c2CCCCCc2nc1NC(=O)CCn1c2c(n(c1=O)C)cccc2	PC-id_24604003	370.469	IPYWBSZMGYYARN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094275
s1c2CCCCCCc2nc1NC(=O)Cn1c2c(n(c1=O)C)cccc2	PC-id_56022493	370.469	QZGFRLHVPFMAHF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094276
s1c(NC(=O)Cn2nc3CCCCCc3c2)nc2c1cc(OCC)cc2	PC-id_20892427	370.469	DDRLLBCRJNZAAE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094277
CN1CCN(CC1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	MCULE-5349949286,ZINC22_82098021,EMOLS-id_44429555,PC-id_70722078	370.47	JRFLEGLLSBLFTA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094278
CN(C1CCN(C1)S(=O)(=O)C)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_100533591	370.47	PTOLEHRXBHLCTA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094279
CN(C)C(=O)N1CCCn2nc(CNS(=O)(=O)N3CCCC3)cc2C1	ZINC22_82146545,MCULE-6092807509,EMOLS-id_44447647,PC-id_70774047	370.47	QILSXTYNEYZRIS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094280
O=C(N1CCCN(CC1)S(=O)(=O)C)NCc1nnc2n1CCCCC2	EMOLS-id_110375768	370.47	RRVJVTYBSHHJTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094281
O=C(N1CCN(CC1)S(=O)(=O)C)NCCc1nnc2n1CCCCC2	EMOLS-id_110378793	370.47	FFBVXWQTDZSFFQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094282
O=C(NC1CCCN(C1)S(=O)(=O)C)NCc1nnc2n1CCCCC2	EMOLS-id_97916235	370.47	JYVHLSPMMNGCFH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094283
c12CN(CCCn1nc(CNc1sc3c(cccc3)n1)c2)C(=O)N(C)C	MCULE-9809727838,ZINC22_85474719,PC-id_70719056,EMOLS-id_44428487	370.472	ARUWSJXBSOMDIH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094284
c12CN(CCCn1nc(C#N)c2)C(=O)NC(C)c1sc2c(CCCC2)n1	MCULE-8214819131,EMOLS-id_177380666	370.472	ZMNCNNSEIUJORU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-094285
c12ncnc(NCc3cc4n(CCCN(C(=O)C)C4)n3)c1c(c(C)s2)C	PC-id_70741977,ZINC22_82114643,EMOLS-id_44436629,MCULE-1543114123	370.472	VEKZOWIDUMAMMS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094286
c12nsnc1ccc(C)c2NC(=O)N(C)Cc1c2CCCCCc2[nH]n1	PC-id_118779212,EMOLS-id_68908703,ZINC22_299773994,MCULE-5273327541	370.472	HMERYYYLIIWKRW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094287
c1(C(=O)N(C)Cc2[nH]nc(c3cccs3)c2)cc2n(CCCN(C)C2)n1	ZINC22_67872938,MCULE-9372221972,PC-id_50966027,EMOLS-id_32401998	370.472	WXPIKXSJPCKQDG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-094288
Cc1c(c2n[nH]c(C(=O)Nc3sc4c(CCCCC4)n3)c2)c(C)n(C)n1	ZINC22_193407801,EMOLS-id_98316636,MCULE-4814652515	370.472	GPVZJTDTQNBOGR-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-094289
Cc1ccc2[nH]c(SCC(=O)NCc3cc4CNCCCn4n3)nc2c1	PC-id_70738051,MCULE-7013100694,ZINC22_82108990,EMOLS-id_44435191	370.472	AYOKBNFPZXXLHW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094290
Cc1ccc2[nH]c(SCC(=O)NCc3nnc4CCCCCn34)nc2c1	MCULE-2926344014,PC-id_91781779,EMOLS-id_55664969,ZINC22_222277985	370.472	ULXNZDKEVHIYDR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094291
Cc1ccc(c2cc(C(=O)N3CCc4nnc(C(C)C)n4CC3)[nH]n2)s1	ZINC22_91986112,EMOLS-id_44742766,MCULE-3599409024,PC-id_70777176	370.472	QVEWZSWRYXFUND-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-094292
Cc1nn2cnnc2c(C)c1CCC(=O)Nc1nc2CCCCCc2s1	STOCK7S-23271,EMOLS-id_46566743,MCULE-3873468547,ZINC22_71287615,PC-id_56762900,EMOLS-id_36515240	370.472	QMORQQFOMFTICV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094293
C[C@@H](NC(=O)N1CCCn2nc(C#N)cc2C1)c1nc2c(s1)CCCC2	ZINC22_584887205	370.472	ZMNCNNSEIUJORU-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-094294
C[C@H](NC(=O)N1CCCn2nc(C#N)cc2C1)c1nc2c(s1)CCCC2	ZINC22_584887206	370.472	ZMNCNNSEIUJORU-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-094295
CCn1ncc(c1)c1n[nH]cc1C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100647584	370.472	PXAYQCSITGXUQM-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-094296
Cn1cc(CN2Cc3ccnn3C[C@@H](CNC(=O)c3ccsc3)C2)cn1	ZINC22_306129886	370.472	IPRFQDIBMQIBEH-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-094297
Cn1cc(CN2Cc3ccnn3C[C@H](CNC(=O)c3ccsc3)C2)cn1	ZINC22_306129887	370.472	IPRFQDIBMQIBEH-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-094298
Cn1cc(CN2CC(CNC(=O)c3ccsc3)Cn3nccc3C2)cn1	EMOLS-id_50373371	370.472	IPRFQDIBMQIBEH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-094299
CN(Cc1ccc2nsnc2c1)C(=O)CCc1cc2CNCCCn2n1	PC-id_70783703,MCULE-9219763156,EMOLS-id_43177213,ZINC22_72479998	370.472	XAFQRALMIVVGLU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094300
N#Cc1c(NC(=O)C(N2CCn3c(C2)nnc3)C)sc2c1CCCCC2	EMOLS-id_98711995	370.472	QOPHRJNKBBQJGA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-094301
O=C(c1c(C)nn(c1n1cccn1)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100566760	370.472	FFCHYJQIQIISRY-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-094302
O=C(c1sc2c(c1N)cccn2)NCCCc1nnc2n1CCCCC2	EMOLS-id_319270103	370.472	LVIAMKIIZLRXEL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094303
O=C(NC(c1nnc2n1cccc2)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103725	370.472	ZPPMOZAHAGOTTC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094304
s1c2n(c(c(n2)C)/C=C/C(=O)NCc2n3CCCCCc3nn2)cc1C	PC-id_24676717	370.472	YLCDJIILSWIJMP-BQYQJAHWSA-N	00000000100000000101000100000010000000000000000000000000	31-01-094305
s1c2n(c(c(n2)C)C=CC(=O)NCc2n3CCCCCc3nn2)cc1C	PC-id_74311144	370.472	YLCDJIILSWIJMP-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-094306
o1c2CC(CCC#CC(O)C(c1cc2C(=O)OC(C)(C)C)C(=C)C)C(=C)C	PC-id_85189581	370.482	BQGDQZDALLKVSR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-094307
o1c2CC(CCC#CC(O)C/C(=C/c1cc2C(=O)OC(C)(C)C)/C)C(=C)C	PC-id_10571207	370.482	USBRBGARAYCZES-FOWTUZBSSA-N	00000000100000000110000000000010000000000000000000000000	31-01-094308
o1c2CC(CCC#CC(O)CC(=Cc1cc2C(=O)OC(C)(C)C)C)C(=C)C	PC-id_73196946	370.482	USBRBGARAYCZES-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-094309
o1c2C[C@H](CCC#C[C@@H](O)C/C(=C/c1cc2C(=O)OC(C)(C)C)/C)C(=C)C	PC-id_11122223	370.482	USBRBGARAYCZES-JCZBNBMJSA-N	00000000100000000110000000000010000000000000000000000000	31-01-094310
o1c2C[C@@H](CCC#C[C@H](O)[C@H](c1cc2C(=O)OC(C)(C)C)C(=C)C)C(=C)C	PC-id_10571206	370.482	BQGDQZDALLKVSR-PLMTUMEDSA-N	00000000100000000110000000000010000000000000000000000000	31-01-094311
o1c2C[C@@H](CCC#C[C@@H](O)[C@@H](c1cc2C(=O)OC(C)(C)C)C(=C)C)C(=C)C	PC-id_10666862	370.482	BQGDQZDALLKVSR-BLIXFSHQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-094312
o1c2C[C@@H](CCC#C[C@H](O)[C@@H](c1cc2C(=O)OC(C)(C)C)C(=C)C)C(=C)C	PC-id_10809181	370.482	BQGDQZDALLKVSR-MMOPVJDHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-094313
Cc1cc(/C=C/C=C/c2ccc(C(=O)O)cc2)c2-c1cc(ccc2C)C(C)C	PC-id_23257850,CHEMBL317023	370.483	UZLVZDJMRJQONS-KQQUZDAGSA-N	00000010100000110110000000000010000000000000000000000000	31-01-094314
OC(=O)c1ccc(C=CC=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1	PC-id_74036498	370.483	UZLVZDJMRJQONS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-094315
FC1CCN(CC1)CCc1ccc(cc1)Oc1nc2c(s1)C=CCC=C2	PC-id_142996968	370.484	IJGCOZOENHWLFC-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-094316
CCCc1cc2n(c1C(=O)c1cccn1CCCC)CCCCC2C(=O)O	PC-id_70538005,SCHEMBL11207246	370.485	VZYPDRNEAJDXEH-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-094317
CCC(CC1CCN(CC1)C(=O)c1cc2=CC(=C=CC=c2[nH]1)OC)(CC)O	SCHEMBL13175627,PC-id_89028308	370.485	DJXSJIIDQREXDZ-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-094318
CCC(CC)(CC1CCN(CC1)C(=O)c1nc2-c(cc(ccc2)OC)c1)O	PC-id_136450137	370.485	QVCKDUPQTQIGNJ-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-094319
CCCCn1cccc1C(=O)c1ccc2n1CCCCC2C(=O)OC(C)C	SCHEMBL11194402,PC-id_70534227	370.485	SJYKIOMTNZMGEE-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-094320
CCCn1cccc1C(=O)c1c(C)cc2n1CCCCC2C(=O)OC(C)C	SCHEMBL11197103,PC-id_70534860	370.485	RIXDKNBSKOHJQE-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-094321
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-]	PC-id_28860401	370.485	TVRDZIPGEUWFQJ-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-094322
Nc1cccc(c1)c1ccc(o1)CCCNC(c1ccc2-c1ccccc2)C	PC-id_68814330,SCHEMBL3853471	370.487	NZGYCTFSQQTVTR-UHFFFAOYSA-N	00000010101000110110100000000010000000000000000000000000	31-01-094325
OCCCOC(=O)[C@@H](CSCc1nc2c(s1)C=CCC(=C2)OC)N	PC-id_143350498	370.487	JTKBKRVAGZBQTB-GFCCVEGCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-094326
s1c2c(CCCCC2)c(c1NC(=S)NCC(=O)OCC)C(=O)OC	PC-id_19651713	370.487	VRDYAIMQYZOPHF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-094327
S1(=O)(=O)CC(CC1)CC(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_60240750	370.487	ASPFFJSTHYFAPW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-094328
S1(=O)(=O)CC(CC1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_55415997	370.487	USMQEKNSKCGOQA-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-094329
S1(=O)(=O)C[C@@H](CC1)CC(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_8939021	370.487	ASPFFJSTHYFAPW-NSHDSACASA-N	00000010100000000100000000000010000000000000000000000000	31-01-094330
S1(=O)(=O)C[C@H](CC1)CC(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_8939025	370.487	ASPFFJSTHYFAPW-LLVKDONJSA-N	00000010100000000100000000000010000000000000000000000000	31-01-094331
S1(=O)(=O)C[C@@H](CC1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_9089400	370.487	USMQEKNSKCGOQA-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-094332
S1(=O)(=O)C[C@H](CC1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_9089401	370.487	USMQEKNSKCGOQA-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-094333
c12CN(CCCn1nc(CCC(=O)NCCO)c2)Cc1ccc(cc1C)C	ZINC22_91411016,EMOLS-id_46037519,PC-id_72854785,MCULE-2700631647	370.488	DDRCGCOZLKGCGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094334
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(CCC)o1	PC-id_70737981,EMOLS-id_44435173,MCULE-5262180733,ZINC22_82108979	370.488	HMLOHPMZRXTCJB-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-094335
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1C)OC)c2)CC(C)C	EMOLS-id_44438313,MCULE-1724806104,PC-id_70746783,ZINC22_82120142	370.488	XHZNZEILIVGZKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094336
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1OC)C)c2)CC(C)C	PC-id_70762811,EMOLS-id_44443795,ZINC22_82134884,MCULE-3522731007	370.488	GNPWUFCOLNPNQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094337
c12CN(CCCn1nc(CNC(=O)c1ccc(c(C)c1)OC)c2)CC(C)C	MCULE-2367592609,PC-id_70747029,EMOLS-id_44438395,ZINC22_82120191	370.488	FAHDBAUUGKIUPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094338
c12CN(CCCn1nc(CNC(=O)c1c(C)cccc1OC)c2)CC(C)C	ZINC22_82091386,MCULE-9871064666,EMOLS-id_44425589,PC-id_70710733	370.488	VXXMQNPNDWZRGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094339
c12CN(CCCn1nc(CNC(=O)Cc1ccc(cc1)OC)c2)CC(C)C	MCULE-2128056942,ZINC22_82107793,PC-id_70733345,EMOLS-id_44433561	370.488	ROIWHTKGDXMSLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094340
c12CN(CCCn1nc(CNC(=O)Cc1ccccc1OC)c2)CC(C)C	ZINC22_82099203,PC-id_70725411,EMOLS-id_44430711,MCULE-2787428640	370.488	BZDRDVCMEHDQFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094341
c12CN(CCCn1nc(CNC(=O)CCc1ccc(cc1)O)c2)CC(C)C	ZINC22_82099573,MCULE-6435005544,PC-id_70726217,EMOLS-id_44430999	370.488	VSLVHTJMFOTYMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094342
c12CN(CCCn1nc(CNC(=O)C(C)Oc1ccccc1)c2)CC(C)C	PC-id_70763520,EMOLS-id_44444071,MCULE-7021701626	370.488	SMFJDHHABIOSFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094343
Brc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_102170027	370.632	KQQGBUHSHKPJPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094683
c12CN(CCCn1nc(CNC(=O)COc1ccc(cc1)C)c2)CC(C)C	EMOLS-id_44430823,MCULE-9633312224,ZINC22_82099342,PC-id_70725688	370.488	LIIFJFJUYZACMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094344
c12CN(CCCn1nc(CNC(=O)COc1ccccc1C)c2)CC(C)C	PC-id_70767380,MCULE-9499663429,ZINC22_82137638,EMOLS-id_44445415	370.488	GTBULYACRTUKGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094345
c12CN(CCCn1nc(CNC(=O)COC)c2)CCC(C)c1ccccc1	MCULE-8256861076,EMOLS-id_46073447,PC-id_72904426	370.488	DXYVGTLNVNLFBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094346
c1(CN(C)C(=O)C2CCCN(Cc3ccco3)C2)c2CCCCCc2[nH]n1	EMOLS-id_46610214,PC-id_72859200,MCULE-6255251149	370.488	FCXIVIGXLBDWGY-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-094347
c1(CN(C)C(=O)NCc2cccc(OC(C)C)c2)c2CCCCCc2[nH]n1	EMOLS-id_177360150,PC-id_122556164,MCULE-3502478218,ZINC22_534576656	370.488	TYKJDOJPJLBKJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094348
c1(C(=O)NCc2cc3n(CCCNC3)n2)cc(C(C)C)cc(C(C)C)c1O	MCULE-1748698760,ZINC22_82086730,PC-id_70706450,EMOLS-id_44424053	370.488	OBFSQIKFNGHGIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094349
CC1(CCC=CC1)C(=O)N1CCc2ncc(CNC(=O)CC3CC3)n2CC1	EMOLS-id_313778633	370.488	XDNPVINYBVNPBE-UHFFFAOYSA-N	00100000100011000101000000000010000000000000000000000000	31-01-094350
CC1(CCC=CC1)C(=O)N1CCCn2cnc(C(=O)NC3CCCC3)c2C1	EMOLS-id_313788732	370.488	DJPRQKZVEGAQLH-UHFFFAOYSA-N	00000010100011000101000000000010000000000000000000000000	31-01-094351
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cc3n(n2)CCCNC3)c1	PC-id_96577135,ZINC22_82121114	370.488	YXTDGAVDOWSLQF-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094352
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cc3n(n2)CCCNC3)c1	ZINC22_82121115,PC-id_96577136	370.488	YXTDGAVDOWSLQF-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094353
Cc1ccc(C)c(OCCN(C)C(=O)CCc2cc3n(n2)CCCNC3)c1	PC-id_70727708,ZINC22_72420170,EMOLS-id_43096273,MCULE-7626174552	370.488	BPZNELZOECQPMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094354
Cc1ccc([C@H](C)CCN2CCCn3nc(C(=O)N4CCCC4)cc3C2)o1	PC-id_95128872,ZINC22_65407667	370.488	JOLAZDBRHJPWAB-MRXNPFEDSA-N	00000010101000000101000000000010000000000000000000000000	31-01-094355
Cc1ccc([C@@H](C)CCN2CCCn3nc(C(=O)N4CCCC4)cc3C2)o1	ZINC22_65407665,PC-id_95128871	370.488	JOLAZDBRHJPWAB-INIZCTEOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-094356
Cc1ccc(CNC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)c(OC(C)C)c1	EMOLS-id_316877292,PC-id_136552864,MCULE-1878089153,ZINC22_1469283784	370.488	GECLSKYLOVRFDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094357
C[C@]1(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)CC=CCC1	ZINC22_585110660	370.488	XDNPVINYBVNPBE-NRFANRHFSA-N	00100000100011000101000000000010000000000000000000000000	31-01-094358
C[C@@]1(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)CC=CCC1	ZINC22_585110661	370.488	XDNPVINYBVNPBE-OAQYLSRUSA-N	00100000100011000101000000000010000000000000000000000000	31-01-094359
C[C@@]1(C(=O)N2CCCn3cnc(C(=O)NC4CCCC4)c3C2)CC=CCC1	ZINC22_1565555580	370.488	DJPRQKZVEGAQLH-OAQYLSRUSA-N	00000010100011000101000000000010000000000000000000000000	31-01-094360
C[C@]1(C(=O)N2CCCn3cnc(C(=O)NC4CCCC4)c3C2)CC=CCC1	ZINC22_1614940048	370.488	DJPRQKZVEGAQLH-NRFANRHFSA-N	00000010100011000101000000000010000000000000000000000000	31-01-094361
CC(Cc1ccc(cc1)C(NC(=O)Cn1nc2n(c1=O)CCCCC2)C)C	PC-id_42945182,MCULE-6584014522,EMOLS-id_18851897	370.488	YHSHVKIYQKYUJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094362
CC(C)c1ccc(C)cc1OC(C)C(=O)NCc1cc2CNCCCn2n1	EMOLS-id_44439699,PC-id_70750864,MCULE-1657600399	370.488	YXTDGAVDOWSLQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094363
CC(C)Cc1ccc([C@H](C)NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1	CoCoCo_4692378,ZINC22_24836091,PC-id_32152587	370.488	YHSHVKIYQKYUJP-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094364
CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1	PC-id_32152583,CoCoCo_4692377,ZINC22_24836086	370.488	YHSHVKIYQKYUJP-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094365
CC(C)CCN1CCc2ncc(n2CC1)C(=O)NCCOc1ccccc1	PC-id_134808586	370.488	LELJFYRVQRYEBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094366
CCC(C(C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2)O)(C)C	EMOLS-id_318189867	370.488	HSSHCQJRJRRZKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094367
C[C@@H](c1ccc(C(=O)NCc2n[nH]c3c2CCCCC3)o1)N1CCCCC1	ZINC22_670467533	370.488	BOQLVIOKAWZTHT-HNNXBMFYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-094368
C[C@H](c1ccc(C(=O)NCc2n[nH]c3c2CCCCC3)o1)N1CCCCC1	ZINC22_670467534	370.488	BOQLVIOKAWZTHT-OAHLLOKOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-094369
CC(N1CCCCC1)c1ccc(o1)C(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_222786147,MCULE-7550315343	370.488	BOQLVIOKAWZTHT-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-094370
CCN(CC)CC1CN(Cc2ccnn2C1)C(=O)Cc1cccc(OC)c1	EMOLS-id_50371419	370.488	AHEMPBSGMBTUQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094371
CCN(CC)CC1CN(Cc2ccnn2C1)C(=O)CCOc1ccccc1	EMOLS-id_55743337	370.488	OFHXZYAAVVCFTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094372
CCN(CC)CCC1CN(Cc2ccnn2C1)C(=O)c1ccc(OC)cc1	EMOLS-id_50374449	370.488	RYSZDRPSVGJYNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094373
CCN(CC)CC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_248262344	370.488	RELSCIFEBPOEKN-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-094374
CCN(CC)CC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_248262346	370.488	RELSCIFEBPOEKN-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-094375
CCOc1cccc(c1)CN(C1CCn2c(CC1)nn(c2=O)CC1CC1)C	EMOLS-id_50586249,MCULE-7663927237,PC-id_91922737	370.488	OXXHDQYPMWNJHA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-094376
CCOc1ccccc1CN(C)C1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922730,MCULE-2654767777,EMOLS-id_50586947	370.488	DMDNPYAVLHUSRA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-094377
CCOc1ccc(CCC(=O)N2Cc3ccnn3C[C@H](CN(C)C)C2)cc1	ZINC22_306141855	370.488	WILBOMVUMUEPMO-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094378
CCOc1ccc(CCC(=O)N2Cc3ccnn3C[C@@H](CN(C)C)C2)cc1	ZINC22_306141856	370.488	WILBOMVUMUEPMO-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094379
CCOc1ccc(CCC(=O)N2CC(CN(C)C)Cn3nccc3C2)cc1	EMOLS-id_55731646	370.488	WILBOMVUMUEPMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094380
CC(=O)OCc1c(C)cc(C)c(CNCc2nnc3CCCCCn23)c1C	PC-id_46991349,ZINC22_55244830,EMOLS-id_31614441,MCULE-6420440071	370.488	KKLBWTMRVKMUIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094381
CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_24113333,PC-id_25601927,CoCoCo_4757650,ZINC22_12916443,MCULE-2147076821	370.488	QYMDXKPBGGBVSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094382
COc1ccc(cc1OCC(=C)C)CNCCc1nnc2n1CCCCC2	PC-id_119111941,MCULE-5395938607,EMOLS-id_51669183	370.488	BJWZBJOSJBQKCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094383
COc1ccc(/C=C/CN2CCCn3nc(cc3C2)C(O)CN(C)C)cc1	EMOLS-id_50544111	370.488	GSNCJAVSWPGALY-GQCTYLIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-094384
COc1ccc(/C=C/CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)cc1	ZINC22_221290256,PC-id_100066718	370.488	GSNCJAVSWPGALY-LWQICCLCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094385
COc1ccc(/C=C/CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)cc1	ZINC22_221290308,PC-id_100066719	370.488	GSNCJAVSWPGALY-KOXUSJRISA-N	00000000100000110101000000000010000000000000000000000000	31-01-094386
COc1cccc(CC(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)c1	EMOLS-id_44370014,ZINC22_96259234,PC-id_97519318	370.488	GESBMSHIHPQPSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094387
COc1ccc(CC(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)cc1	EMOLS-id_46148069,ZINC22_96058886,PC-id_97381543	370.488	PPSCGSQFWCSMFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094388
COc1cc(CN2Cc3ccnn3C[C@H](CN3CCCC3)C2)cc(OC)c1	ZINC22_247922719	370.488	YDSOHUGRCLQLRD-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094389
COc1cc(CN2Cc3ccnn3C[C@@H](CN3CCCC3)C2)cc(OC)c1	ZINC22_247922721	370.488	YDSOHUGRCLQLRD-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094390
n1n2CCCN(CC=Cc3ccc(cc3)OC)Cc2cc1C(O)CN(C)C	PC-id_90652291,MCULE-3956695500	370.488	GSNCJAVSWPGALY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094391
O(c1cc(C(C)C)ccc1C)CC(=O)NCCc1n2CCCCCc2nn1	PC-id_51304471	370.488	QXPPYXUUUDAWIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094392
O(c1ccc(C(C)(C)C)cc1)CC(=O)NCCc1n2CCCCCc2nn1	PC-id_51304499	370.488	DKXWJNYFTBBKAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094393
O(c1c(C(C)(C)C)cccc1)CC(=O)NCCc1n2CCCCCc2nn1	PC-id_55535340	370.488	GTFBRTNWPZPJON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094394
O=c1n2CCCCCc2nn1CC(=O)NCCc1ccc(C(C)(C)C)cc1	PC-id_78866049	370.488	ZUBAIIGMPPAHML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094395
O=c1n2CCCCCc2nn1CC(=O)NC(CC(C)(C)C)c1ccccc1	PC-id_55690155	370.488	OXUBSEMHOYPENM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094396
O=c1n2CCCCCc2nn1CC(=O)NC(C(CC)CC)c1ccccc1	PC-id_55763700	370.488	MRHOZANUEQROEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094397
O(CCCC(=O)NCCc1n2CCCCCc2nn1)CCc1ccccc1	PC-id_52337886	370.488	GITDKPHJCFSQJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094398
O(C(C(=O)NCc1n2CCCCCc2nn1)C)c1ccc(C(C)(C)C)cc1	PC-id_51266325	370.488	OOLOBYPTDQSPHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094399
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)c1ccc(o1)CN1CCCCC1	EMOLS-id_319768700	370.488	QTIXBVSESFUQMO-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-094400
c1(C(=O)N2CCCC2)cc2n(CCCN(CCC(C)c3ccc(C)o3)C2)n1	PC-id_50965801,MCULE-8266866443,EMOLS-id_32401598	370.489	JOLAZDBRHJPWAB-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-094401
CC(C)CCNC(=O)c1cnc2n1CCN(CC2)Cc1ccccc1OC	PC-id_134805857	370.489	APAVYCAEKVXRPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094402
CC(C)CN1CCCn2nc(CNC(=O)[C@@H](C)Oc3ccccc3)cc2C1	PC-id_96578725,ZINC22_82135237	370.489	SMFJDHHABIOSFS-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094403
CC(C)CN1CCCn2nc(CNC(=O)[C@H](C)Oc3ccccc3)cc2C1	PC-id_96578726,ZINC22_82135239	370.489	SMFJDHHABIOSFS-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094404
CCC(C)Oc1ccccc1CNC(=O)CCc1cc2CNCCCn2n1	MCULE-5473869006,PC-id_70770849,EMOLS-id_43160864	370.489	NHPVDCZGJGTFGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094405
CC[C@@H](C)Oc1ccccc1CNC(=O)CCc1cc2n(n1)CCCNC2	ZINC22_72473963,PC-id_95894153	370.489	NHPVDCZGJGTFGF-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094406
CC[C@H](C)Oc1ccccc1CNC(=O)CCc1cc2n(n1)CCCNC2	ZINC22_72473964,PC-id_95894154	370.489	NHPVDCZGJGTFGF-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094407
CC(Cn1nc2n(c1=O)C(CCCC2)C(=O)NCc1cc(C)ccc1C)C	EMOLS-id_207869388,MCULE-3920235656	370.489	DIUIKXUAAWUKHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094408
CCN(CC)CCC1CN(Cc2ccc3OCOc3c2)Cc2ccnn2C1	EMOLS-id_50371223	370.489	RELSCIFEBPOEKN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-094409
CCN(CC)CC[C@H]1CN(C(=O)c2ccc(OC)cc2)Cc2ccnn2C1	ZINC22_248145049	370.489	RYSZDRPSVGJYNE-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094410
CCN(CC)CC[C@@H]1CN(C(=O)c2ccc(OC)cc2)Cc2ccnn2C1	ZINC22_248145053	370.489	RYSZDRPSVGJYNE-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094411
CCN(CC)C[C@@H]1CN(C(=O)Cc2cccc(OC)c2)Cc2ccnn2C1	ZINC22_247865024	370.489	AHEMPBSGMBTUQG-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094412
CCN(CC)C[C@H]1CN(C(=O)Cc2cccc(OC)c2)Cc2ccnn2C1	ZINC22_247865029	370.489	AHEMPBSGMBTUQG-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094413
CCN(CC)C[C@@H]1CN(C(=O)CCOc2ccccc2)Cc2ccnn2C1	ZINC22_306135032	370.489	OFHXZYAAVVCFTR-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094414
CCN(CC)C[C@H]1CN(C(=O)CCOc2ccccc2)Cc2ccnn2C1	ZINC22_306135033	370.489	OFHXZYAAVVCFTR-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094415
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CCCN(Cc2ccco2)C1	PC-id_97191355,ZINC22_95360223	370.489	FCXIVIGXLBDWGY-INIZCTEOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-094416
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CCCN(Cc2ccco2)C1	ZINC22_95360222,PC-id_97191354	370.489	FCXIVIGXLBDWGY-MRXNPFEDSA-N	00000000101010000101000000000010000000000000000000000000	31-01-094417
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCCc1ccccc1)C2	PC-id_100035591,ZINC22_219230762	370.489	ZZODDDRPGDGDPC-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094418
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCCc1ccccc1)C2	PC-id_100035592,ZINC22_219230831	370.489	ZZODDDRPGDGDPC-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094419
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)CCCc1ccccc1	EMOLS-id_50530867,PC-id_90648716,MCULE-7330509804	370.489	ZZODDDRPGDGDPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094420
COc1cc(CN2CC(CN3CCCC3)Cn3nccc3C2)cc(OC)c1	EMOLS-id_50372671	370.489	YDSOHUGRCLQLRD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094421
COCC(=O)NCc1cc2n(n1)CCCN(CC[C@H](C)c1ccccc1)C2	ZINC22_91756310,PC-id_97139909	370.489	DXYVGTLNVNLFBP-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094422
COCC(=O)NCc1cc2n(n1)CCCN(CC[C@@H](C)c1ccccc1)C2	ZINC22_91756312,PC-id_97139910	370.489	DXYVGTLNVNLFBP-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094423
CS(=O)(=O)N(CCCc1ccsc1)Cc1nnc2n1CCOCC2	ZINC22_1615553732,EMOLS-id_320274646,MCULE-4411058264	370.49	YQZPKEHXZNKZRS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-094424
S1CC(=CSc2sc(=O)sc12)NNC(=O)c1c(O)cccc1	PC-id_4217814	370.49	WKIXYILXMQDCAQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-094425
S1C(CN(CC1)C(=O)CSc1n2CCCCCc2nn1)C(=O)OC	PC-id_78679725	370.49	DIMRTXLENWFUOQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094426
S1CC(=NNC(=O)c2c(O)cccc2)CSc2sc(=O)sc12	PC-id_3907789	370.49	ZKHZCMCRYTUFCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094427
S1[C@@H](CN(CC1)C(=O)CSc1n2CCCCCc2nn1)C(=O)OC	PC-id_8379348	370.49	DIMRTXLENWFUOQ-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-094428
S1[C@H](CN(CC1)C(=O)CSc1n2CCCCCc2nn1)C(=O)OC	PC-id_8379352	370.49	DIMRTXLENWFUOQ-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094429
c12CN(CCCn1nc(CCC(=O)NC1CCCC1)c2)Cc1nccn1C	MCULE-5390188791,EMOLS-id_46025737,ZINC22_91416888,PC-id_72838598	370.492	PCEPKVFTKWMZOB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094430
c12CN(CCCn1nc(CN1CCCn3cncc3C1)c2)CC1CCOC1	EMOLS-id_43094189,MCULE-6335749005,PC-id_56891126	370.492	CJRKXDVIEUIWHZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094431
c12CN(CCCn1nc(CN(C)Cc1noc(C)n1)c2)CC1CCC=CC1	MCULE-9942216151,PC-id_56908212,EMOLS-id_43154271	370.492	UDUDYDYREJDJER-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-094432
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cnn(C(C)C)c1	ZINC22_82092045,PC-id_70712096,MCULE-7146162338,EMOLS-id_44426085	370.492	YNARBCYBYLPULS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094433
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1nccn1C(C)C	MCULE-2885127549,PC-id_70779927,EMOLS-id_44449763,ZINC22_82157255	370.492	SRDIGTBOYGPTOX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094434
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1nccn1CCC	MCULE-3559600944,ZINC22_82146824,EMOLS-id_44447799,PC-id_70774465	370.492	IGQUIWBGYTVSIB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094435
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(cc1)CCN	MCULE-6003776754,EMOLS-id_44435573,PC-id_70739113,ZINC22_82109213	370.492	KXGXYIDMAULXKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094436
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cccc(CCN)c1	PC-id_70737301,ZINC22_82108858,MCULE-4599004002,EMOLS-id_44434957	370.492	SFFUEWADWPMOMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094437
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(CCC)CCn12	EMOLS-id_20618467,PC-id_45220935,MCULE-9578791812	370.492	FHILIDBLHXGPOC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094438
c1(c(C)nc(c2ccncc2)s1)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-5024759703,EMOLS-id_36511862,EMOLS-id_46564752,PC-id_56761413,STOCK7S-21132,ZINC22_71284567	370.492	DOBVYKHDBQTZDI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-094439
c1(CN2CCCn3nc(CCC(=O)N4CCCC4)cc3C2)cnn(C)c1C	EMOLS-id_46043881,PC-id_72863744,MCULE-1864143821,ZINC22_91475864	370.492	XTIGAVNMAAVDNR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094440
c1(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)c(C)nn(C)c1C	EMOLS-id_44438247,PC-id_70746602,ZINC22_82120097,MCULE-3165937993	370.492	BUGJFOJUSAVNIW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094441
c1(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cn(nc1C)CC	MCULE-5143175171,ZINC22_82161999,EMOLS-id_44451613,PC-id_70785270	370.492	LVXKNOZJWZUHJG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094442
c1(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cnn(CC)c1C	EMOLS-id_44443489,ZINC22_82134501,MCULE-3090771616,PC-id_70761958	370.492	YVYMTHFCRFUCIS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094443
c1(CN(C)Cc2cnc(nc2)NCC2CCCO2)c2CCCCCc2[nH]n1	PC-id_77089424,EMOLS-id_49885367,MCULE-3700969755	370.492	UCOPQKPEBUWCMQ-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-094444
c1(CN(C)C(=O)CCc2cc3n(CCCNC3)n2)c2CCCCCc2[nH]n1	PC-id_70776547,EMOLS-id_43168218,MCULE-6281206031,ZINC22_72476635	370.492	TWCQZZYCLIBBCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094445
c1(cn(nn1)CC1CCCCC1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_20704285,CoCoCo_1576743,ZINC22_11820094,PC-id_42197338,CoCoCo_1576742,MCULE-6390526315	370.492	PRILILBNLRYPOM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094446
c1(C(=O)N2CCCC2)cc2n(CCCN(C(C)Cc3c(C)n[nH]c3C)C2)n1	MCULE-2361643696,PC-id_50954325,EMOLS-id_32379906	370.492	RCSWBTRYDNCVLD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094447
c1(C(=O)N2CCCC2)cc2n(CCCN(C(C)Cn3ccnc3CC)C2)n1	EMOLS-id_32407256,MCULE-8672653288,PC-id_50968780	370.492	MGDLVSLNCBWADX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094448
c1(C(=O)NCc2c3CCCCCc3[nH]n2)cc2n(CCCN(C(C)C)C2)n1	ZINC22_67982105,MCULE-9056329149,PC-id_50984304,EMOLS-id_32436356	370.492	PVMHGDAPXXMOPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094449
c1(C(=O)NC(C)Cn2c(C)cc(C)n2)cn2c(CCN(CC3CC3)CC2)n1	MCULE-8212960823,EMOLS-id_336477123	370.492	MLSFKSQYGORJFV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-094450
c1ncn2c1CN(Cc1cc3n(n1)CCCN(C[C@@H]1CCOC1)C3)CCC2	PC-id_95714127,ZINC22_72143573	370.492	CJRKXDVIEUIWHZ-KRWDZBQOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094451
c1ncn2c1CN(Cc1cc3n(n1)CCCN(C[C@H]1CCOC1)C3)CCC2	PC-id_98769777,ZINC22_106956454	370.492	CJRKXDVIEUIWHZ-QGZVFWFLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094452
c1(NC(=O)Cc2csc(c3ccccn3)n2)sc2c(CCCCC2)n1	MCULE-7058802055,EMOLS-id_323372682,PC-id_16605145	370.492	BGAMITNKQQRLHH-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-094453
c1(NC(=S)NC(=O)c2cccnc2)sc2c(CCCCCC2)c1C#N	MCULE-3473580869,ZINC22_2316711,PC-id_1933309,TIMTEC269065,EMOLS-id_4457513,STOCK2S-76014	370.492	KPRHCFAEFBACQA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-094454
c1(NC(=S)NC(=O)c2ccncc2)sc2c(CCCCCC2)c1C#N	MCULE-9799599451,CoCoCo_1740191,PC-id_1932942,EMOLS-id_4457022,TIMTEC116393,ZINC22_2316350,STOCK2S-75236	370.492	DBOVMGDEQOERPR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-094455
Cc1ccc(C)n1C1CCN(C(=O)NCc2nnc3n2CCCCC3)CC1	ZINC22_263833726,MCULE-5806135778,EMOLS-id_316824635	370.492	OEJYSIYPRVNELX-UHFFFAOYSA-N	00000000110010000101100000000010000000000000000000000000	31-01-094456
Cc1cc(C)n(C[C@H](C)NC(=O)c2cn3c(n2)CCN(CC2CC2)CC3)n1	ZINC22_1940197733	370.492	MLSFKSQYGORJFV-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-094457
Cc1cc(C)n(C[C@@H](C)NC(=O)c2cn3c(n2)CCN(CC2CC2)CC3)n1	ZINC22_1940197734	370.492	MLSFKSQYGORJFV-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-094458
Cc1nc(c2ccccn2)sc1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_16700384,GD-id_ZINC12829196,PC-id_17508096,ZINC22_12829196,MCULE-6382956329,CoCoCo_4546217	370.492	RPUYGOZUGOHEDM-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-094459
Cc1nc(CN(C)Cc2cc3n(n2)CCCN(C[C@H]2CC=CCC2)C3)no1	ZINC22_72158872,PC-id_95722929	370.492	UDUDYDYREJDJER-KRWDZBQOSA-N	00000000100011000101000000000010000000000000000000000000	31-01-094460
Cc1n[nH]c(C)c1C[C@@H](C)N1CCCn2nc(C(=O)N3CCCC3)cc2C1	ZINC22_67643098,PC-id_95197246	370.492	RCSWBTRYDNCVLD-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094461
Cc1n[nH]c(C)c1C[C@H](C)N1CCCn2nc(C(=O)N3CCCC3)cc2C1	ZINC22_67643099,PC-id_95197247	370.492	RCSWBTRYDNCVLD-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094462
CCc1nccn1C[C@@H](C)N1CCCn2nc(C(=O)N3CCCC3)cc2C1	PC-id_95131101,ZINC22_65422799	370.492	MGDLVSLNCBWADX-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094463
CCc1nccn1C[C@H](C)N1CCCn2nc(C(=O)N3CCCC3)cc2C1	ZINC22_65422803,PC-id_95131103	370.492	MGDLVSLNCBWADX-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094464
CC(c1[nH]nc(n1)CC1CCN(CC1)C(=O)c1cnc2n1CCCCC2)C	MCULE-9425427198,EMOLS-id_320266143	370.492	LKIPBTQEMUVSGL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094465
CCCc1c(NC(=O)N2CCCc3c(cnn3C)C2)cnn1C1CCCC1	MCULE-5458149185,ZINC22_886084668,EMOLS-id_316209451	370.492	XMYOGPRMWMIBHQ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-094466
CC(C)CCC(C)NC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	PC-id_121502328,EMOLS-id_177421235,MCULE-5034199624	370.492	KQQNHRWAZDHMGQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094467
CC(C)CC[C@H](C)NC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_426493163	370.492	KQQNHRWAZDHMGQ-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094468
CC(C)CC[C@@H](C)NC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_426493164	370.492	KQQNHRWAZDHMGQ-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094469
CCCN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cccnc3)n2CC1	CoCoCo_1445785,CoCoCo_1445786,ZINC22_14961239	370.492	FHILIDBLHXGPOC-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094470
CCCN1CCc2nnc([C@H](CC(C)C)NC(=O)c3cccnc3)n2CC1	ZINC22_14961243,CoCoCo_1445787,CoCoCo_1445788	370.492	FHILIDBLHXGPOC-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094471
CC(C)n1cc(CN2Cc3ccnn3C[C@@H](CNC(=O)CC3CC3)C2)cn1	ZINC22_306134689	370.492	NVIYUQSQIQGJLJ-KRWDZBQOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-094472
CC(C)n1cc(CN2Cc3ccnn3C[C@H](CNC(=O)CC3CC3)C2)cn1	ZINC22_306134690	370.492	NVIYUQSQIQGJLJ-QGZVFWFLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-094473
CC(C)n1cc(CN2CC(CNC(=O)CC3CC3)Cn3nccc3C2)cn1	EMOLS-id_50376777	370.492	NVIYUQSQIQGJLJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-094474
CCn1cnnc1CC1CCN(CC1)C(=O)c1n[nH]c2c1CCCCCC2	PC-id_91919547	370.492	FAUSWIQESYVAEC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094475
CCNC(=NCc1ccc(cc1OC)C)NCc1nnc2n1CCCCC2	PC-id_109710645	370.492	BXBKVHAEVLUXQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094476
CCNC(=NCc1ccccc1OCC)NCc1nnc2n1CCCCC2	PC-id_111880931	370.492	ZIXOSZRNDRYNFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094477
CCNC(=NCc1ccc(cc1)OC)NCCc1nnc2n1CCCCC2	PC-id_111182183	370.492	VRFLTJYJTDFXKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094478
CCNC(=NCc1ccccc1OC)NCCc1nnc2n1CCCCC2	PC-id_111217897	370.492	WVLQNJYKKQLWHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094479
CCNC(=NCc1cccc(c1)OC)NCCc1nnc2n1CCCCC2	PC-id_111251423	370.492	YULJZJVFXMKLQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094480
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)OC)C	PC-id_111272165	370.492	BOQLDLXQDBSUNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094481
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccccc1OC)C	PC-id_111281967	370.492	UYVSAVYIVXRORD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094482
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccccc1)CO	PC-id_109407960	370.492	OMYRMYYTULWZFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094483
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccccc1)(O)C	PC-id_109416928	370.492	SGXKWZUDUPBEKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094484
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccc(cc1)OC	PC-id_111169109	370.492	WZTWVZRQQSVZTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094485
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccccc1OC	PC-id_111339329	370.492	BVMQIYVNJPHXSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094486
CCNC(=NCc1nnc2n1CCCCC2)NCCC(c1ccccc1)O	PC-id_111665654	370.492	YBSQFTFRKRXADS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094487
CCNC(=NCc1nnc2n1CCCCC2)NCCCOc1ccccc1	PC-id_111417769	370.492	HRLBNUCRNSWKJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094488
CCNC(=NCc1nnc2n1CCCCC2)N(CCOc1ccccc1)C	PC-id_111273821	370.492	JZBKUFWWHWOOHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094489
CCNC(=NCc1nnc2n1CCCCC2)NCCOc1ccc(cc1)C	PC-id_111277155	370.492	XOIJKAGAQNPHKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094490
CCNC(=NCCc1nnc2n1CCCCC2)NCCOc1ccccc1	PC-id_111006499	370.492	QRMJBENQVGRHTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094491
CCOc1ccc(cc1)CN(C(=NC)NCc1nnc2n1CCCCC2)C	PC-id_111275029	370.492	IHCSTHZNJNDHKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094492
CCOc1ccccc1CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111881037	370.492	NLSXUPINMIDMOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094493
CCOc1cc(C)ccc1CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_109679119	370.492	TUMDLGPTAGXWRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094494
CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_52220587,EMOLS-id_44086846,MCULE-8717631035,ZINC22_45607568	370.492	UYAMYHJHGYHRES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094495
CN(Cc1cnc(NC[C@@H]2CCCO2)nc1)Cc1n[nH]c2c1CCCCC2	PC-id_99937840,ZINC22_215833376	370.492	UCOPQKPEBUWCMQ-INIZCTEOSA-N	00000010100000100101000000000010000000000000000000000000	31-01-094496
CN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1n[nH]c2c1CCCCC2	ZINC22_215833418,PC-id_99937842	370.492	UCOPQKPEBUWCMQ-MRXNPFEDSA-N	00000010100000100101000000000010000000000000000000000000	31-01-094497
CN(Cc1n[nH]c2c1CCCCC2)C(=O)Cn1nccc1[C@H]1CCCNC1	ZINC22_426434864	370.492	PMVSSQNSDHLZJG-HNNXBMFYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-094498
CN(Cc1n[nH]c2c1CCCCC2)C(=O)Cn1nccc1[C@@H]1CCCNC1	ZINC22_426434865	370.492	PMVSSQNSDHLZJG-OAHLLOKOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-094499
BrC(c1sc2c(CCCCC2)c1)c1cc(c(F)cc1F)C	PC-id_79727109	371.283	FTYHOCSMIKDJSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094766
CN(Cc1n[nH]c2CCCCCc12)C(=O)Cn1nccc1C1CCCNC1	EMOLS-id_82711121,MCULE-2884360264,PC-id_119062773	370.492	PMVSSQNSDHLZJG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-094500
CN(Cc1noc(n1)C)Cc1nn2c(c1)CN(CCC2)C[C@H]1CCC=CC1	PC-id_99967131	370.492	UDUDYDYREJDJER-QGZVFWFLSA-N	00000000100011000101000000000010000000000000000000000000	31-01-094501
CN=C(NCc1ccc(cc1OC)C)NCCc1nnc2n1CCCCC2	PC-id_109710667	370.492	PIJXVCJYHSHCEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094502
CN=C(NCc1ccccc1OC)NCCCc1nnc2n1CCCCC2	PC-id_111218085	370.492	IAJADAGCZFUTPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094503
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccc(c(c1)OC)C	PC-id_111588675	370.492	SVMSPVPIXSGWSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094504
CN=C(NCc1nnc2n1CCCCC2)NCCc1cc(C)ccc1OC	PC-id_111388456	370.492	JMEPVDBOKMCRET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094505
CN=C(NCc1nnc2n1CCCCC2)NCC(Oc1cccc(c1)C)C	PC-id_111685174	370.492	VYVJCXDGJSPTDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094506
CN=C(NCc1nnc2n1CCCCC2)NCC(Oc1ccccc1C)C	PC-id_111686220	370.492	MDBOYBOQHLATQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094507
CN=C(NCC(c1ccccc1)CO)NCCc1nnc2n1CCCCC2	PC-id_109410853	370.492	FFKCRBVHHVTYOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094508
CN=C(NCCc1ccccc1OC)NCCc1nnc2n1CCCCC2	PC-id_111339447	370.492	GYCWUHUIQLUSQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094509
CN=C(NCCc1nnc2n1CCCCC2)NCCCOc1ccccc1	PC-id_111417851	370.492	UZQXAPMMPKMARO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094510
CN=C(NCCc1nnc2n1CCCCC2)NCCOc1ccc(cc1)C	PC-id_111276579	370.492	GKQAYQPCZUEXLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094511
CN=C(NCCOc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111005565	370.492	PVPYTMAPSJENBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094512
COc1ccc(cc1)CCNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111171095	370.492	ABCHMMIXIQQHSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094513
COc1ccc(cc1)CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111182748	370.492	BVCKWTYNAOLMHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094514
COc1cccc(c1)CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111251617	370.492	YQMOKWPUQIBGMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094515
NC(=NCCCc1nnc2n1CCCCC2)Nc1ccc(cc1)OC(C)C	PC-id_111093779	370.492	OSYDSNBADGREAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094516
O=C(N1CCCC1)c1nn2c(CN(CCC2)Cc2[nH]nc(C(C)(C)C)c2)c1	PC-id_50956234	370.492	BRTHAZNTEOVHHV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094517
O=C(NC(c1n2CCN(CC(CC)CC)CCc2nn1)C)c1cccnc1	PC-id_56858039	370.492	ACADKFGTCPSMAU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094518
O=C(NCCc1n[nH]c2c1CCCC2)c1nn2CCCN(Cc2c1)C(C)C	PC-id_50977798	370.492	QLYMARWIMJDJFU-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-094519
O=C(N(Cc1ccccc1)C)CCNC(=O)c1cc2c(s1)CCCCC2	PC-id_86877576	370.508	NFAIOHZTCCOEQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094559
CCCc1nnc(NCc2cc3CN(CCCn3n2)S(=O)(=O)C)s1	PC-id_70768793,ZINC22_82138411,MCULE-1722265804,EMOLS-id_44445909	370.493	KSUUUZHPYGMHQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094520
S(=O)(=O)(N1CCCn2nc(cc2C1)CNc1sc(nn1)C(C)C)C	PC-id_70720653	370.493	WDYPVTSKVVUIIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094521
CCCn1c(Sc2nc3c(s2)CC(=CC=C3)C)nc2c1ncnc2N	PC-id_143496319	370.495	VZWTVVZGWIDGOD-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-094522
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(C1)c1cnn(c1)C	PC-id_111742015	370.495	MXKNKQMYNSCMFQ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-094523
CN1CCN(CC1)c1ncc(cn1)CNCCc1nnc2n1CCCCC2	PC-id_71857658,MCULE-3078573309,EMOLS-id_43668002	370.495	AZDXHLVERNPFAM-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-094524
CN=C(N1CCC(C1)c1cnn(c1)C)NCCc1nnc2n1CCCCC2	PC-id_111742197	370.495	KAKNTANBDZXEOB-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-094525
CN=C(N1CCC(C(C1)n1ccnc1)C)NCc1nnc2n1CCCCC2	PC-id_109761747	370.495	VAGGIGQYBBFACA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-094526
N#Cc1ccnc(c1)N1CC[NH+](CC1)Cn1nc2n(c1=S)CCCCC2	GD-id_ZINC24632026	370.495	ACMAGOLVCSQOOA-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-094527
FC1(F)CC(C1)Oc1nc2c(s1)CCN(CC2)CCC1CCCCC1	PC-id_145451541	370.5	NVWDCEJBZXRINJ-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-094528
c1(c2CCCCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccccc1	EMOLS-id_2385035,SPECS-id_AG-667/37281036,MCULE-7945841049,TIMTEC36415,ZINC22_722384,PC-id_1047339,CoCoCo_731446	370.508	LAWGYCZQUIHHFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094529
c1(cc2c(CCCCC2)s1)C(=O)NC(Cc1ccncc1)C1CC(C1)O	MCULE-9838300254,EMOLS-id_55694169,PC-id_91791816	370.508	OTRPTNOFKPOIEA-UHFFFAOYSA-N	00001000100000101100000000000010000000000000000000000000	31-01-094530
c1(csc2CCCCCc12)C(=O)N1CCN(CC1)c1ccc(cc1)OC	EMOLS-id_16062915,PC-id_20881899,MCULE-4592893488	370.508	UMYDIYKCBZEBDZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094531
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCCCC2)c1C(=O)N	SPECS-id_AK-968/12117057,TIMTEC59535,CK1525510,CoCoCo_3250489,ZINC22_4176852,PC-id_2886219,MCULE-2205630126,EMOLS-id_1774318,ChEMBL-DNDi_CHEMBL6107549	370.508	AQUKEDDUKCUXAC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094532
c1(NC(=O)c2ccc(cc2)C(C)C)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_684220,ChEMBL-DNDi_CHEMBL5699837,EMOLS-id_2368942,ZINC22_1200619,MCULE-9987934283,PC-id_1358865	370.508	QDKZUDSURSAXDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094533
c1(NC(=O)c2ccc(cc2)C)sc2c(CCCCC2)c1C(=O)NCCC	ChEMBL-DNDi_CHEMBL4488-1525,MCULE-6159375896,PC-id_2871968,CoCoCo_1797024,ZINC22_4189092,EMOLS-id_2375313	370.508	VAGRXIJEWKANIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094534
c1(NC(=O)C(CC)c2ccccc2)sc2c(CCCCCC2)c1C(=O)N	SPECS-id_AK-968/37171155,PC-id_2930629,EMOLS-id_2194900,MCULE-1152193586	370.508	CKHXZKYUDZLOQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094535
Cc1ccc(cc1)S(=O)(=O)N1CCn2c([C@](C1)(C)/C=C/C1CC1)ccc2	4123845_OpenMolecule,PC-id_139124235	370.508	JOQWQYQFNWLGRI-RJRNSMGGSA-N	00100000100000110101000000000010000000000000000000000000	31-01-094536
Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc2c(s1)CCCCC2	PC-id_8851673,ZINC22_7736656,CoCoCo_3199617,MCULE-6251610510,EMOLS-id_43807320	370.508	PFEIBOGCHLALKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094537
Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCC3)c1	EMOLS-id_42653035,CHEMBL1327668,CoCoCo_3294392,ZINC22_8185152,MCULE-1341409666,ChEMBL-DNDi_CHEMBL1327668,PC-id_9318885	370.508	JPJRDRVFBFLLBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094538
Cc1cccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCC3)c1C	EMOLS-id_18915678,PC-id_9161206,ZINC22_8030665,CoCoCo_3213466,MCULE-7863634167	370.508	NXBZLBGHZGSVJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094539
Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_30657939,MCULE-9213958607,ZINC22_33186622,PC-id_40354005	370.508	YLWQZIUKXGLFDZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094540
CC[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCCCCC2)c1ccccc1	PC-id_1022845,ZINC22_688868,CoCoCo_894855	370.508	CKHXZKYUDZLOQX-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094541
CC[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCCCCC2)c1ccccc1	ZINC22_688867,PC-id_1022844,CoCoCo_894854	370.508	CKHXZKYUDZLOQX-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094542
CN(C)C(=O)C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	PC-id_96997724,ZINC22_83844011	370.508	QOPGVKGHLSJNMR-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094543
CN(C)C(=O)C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	PC-id_96997725,ZINC22_83844013	370.508	QOPGVKGHLSJNMR-QGZVFWFLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094544
COc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	CoCoCo_3239465,ChEMBL-DNDi_CHEMBL1471284,MCULE-7093752677,PC-id_7494639,CHEMBL1471284,ZINC22_5094623,EMOLS-id_11764242	370.508	JUQYJDMRZSHRQX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094545
COc1cccc(N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)c1	MCULE-9307698394,EMOLS-id_11728266,ZINC22_7182763,ChEMBL-DNDi_CHEMBL1716905,CoCoCo_3182943,PC-id_8295475	370.508	KXMJFRIZIOFAQO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094546
COc1ccc(N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1	CoCoCo_3249979,ChEMBL-DNDi_CHEMBL1436078,PC-id_8294576,ZINC22_7181455,EMOLS-id_11720151,MCULE-5023564851,CHEMBL1436078	370.508	RRNZPEHDTLXSBE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094547
OC1CCN(CC1)c1ccccc1NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98147598	370.508	YETVJWCMLITKFD-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-094548
OC1CCN(CC1)C(C(=O)N1CCCc2c(C1)ccs2)c1ccccc1	EMOLS-id_317992222	370.508	UVTQFWLBVPTLAV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-094549
O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)(O)Cc1ccccn1	MCULE-5053665677,EMOLS-id_320222315	370.508	MQNGPRUKTVFTDG-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-094550
O=C(c1cc2c(s1)CCCCC2)Nc1ccc(cc1)CN1CCOCC1	PC-id_112796049	370.508	MNCWSHTVOSGSHM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094551
O=C(c1cc2c(s1)CCCCC2)N(Cc1cccnc1)CC1CCCO1	EMOLS-id_44539984,PC-id_71890173,MCULE-6054383226	370.508	DUZSCUDLTZIISL-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-094552
O=C(c1cc2c(s1)CCCCC2)N(Cc1cccnc1)C[C@@H]1CCCO1	ZINC22_55800111,PC-id_94628614	370.508	DUZSCUDLTZIISL-SFHVURJKSA-N	00000010100000101100000000000010000000000000000000000000	31-01-094553
O=C(c1cc2c(s1)CCCCC2)N(Cc1cccnc1)C[C@H]1CCCO1	ZINC22_55800112,PC-id_94628615	370.508	DUZSCUDLTZIISL-GOSISDBHSA-N	00000010100000101100000000000010000000000000000000000000	31-01-094554
O=C(c1cc2c(s1)CCCCCC2)N1CCN(c2ccccc2O)CC1	ZINC22_26524965,PC-id_33797801,EMOLS-id_43855901,MCULE-5097521688,CoCoCo_3363562	370.508	FRUWSJSQPSYQIV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094555
O=C(c1sc2c(c1)CCCCCC2)NC1CCOC(C1)c1ccncc1	EMOLS-id_101557115	370.508	VQCIUOWHAXYTAJ-UHFFFAOYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-094556
O=C(c1sc2c(c1)CCCCCC2)N[C@@H]1CCO[C@H](C1)c1ccccn1	EMOLS-id_101546609	370.508	FVPGDBBLPNWSLR-SJLPKXTDSA-N	00000000100010101100100000000010000000000000000000000000	31-01-094557
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2c(s1)CCCCCC2	EMOLS-id_43849755,PC-id_35014133,ZINC22_27632240,MCULE-7046356616,CoCoCo_3344651	370.508	UOLKBLBPGPJALW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094558
O=C(NCc1ccccc1N1CCOCC1)c1cc2c(s1)CCCCC2	MCULE-7165395491,PC-id_71885697,ZINC22_84504892,EMOLS-id_44550008	370.508	AFLBCWMFQCZREZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094560
O=C(N(C)C)CC(c1ccccc1)NC(=O)c1cc2c(s1)CCCCC2	MCULE-4650439474,EMOLS-id_44548210,PC-id_71886244	370.508	QOPGVKGHLSJNMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094561
O=C(N[C@@H](Cc1ccncc1)C1CC(O)C1)c1cc2c(s1)CCCCC2	PC-id_100227790,ZINC22_223307267	370.508	OTRPTNOFKPOIEA-ABHNRTSZSA-N	00001000100000101100000000000010000000000000000000000000	31-01-094562
O=C(N[C@H](Cc1ccncc1)C1CC(O)C1)c1cc2c(s1)CCCCC2	ZINC22_223307324,PC-id_100227797	370.508	OTRPTNOFKPOIEA-DAWZGUTISA-N	00001000100000101100000000000010000000000000000000000000	31-01-094563
s1c2CCCCCc2cc1C(=O)Nc1c(ccc(NC(=O)C(C)C)c1)C	PC-id_55708319	370.508	RHJDHHWNTXFAPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094564
s1c2CCCCCc2cc1C(=O)Nc1ccc(C(=O)N(CC)CC)cc1	PC-id_8504007	370.508	BZMBMRSPULAGAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094565
s1c2CCCCCc2cc1C(=O)Nc1cc(C(=O)N(CC)CC)ccc1	PC-id_24488196	370.508	XDXLIDZMXMXSJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094566
s1c2CCCCCc2cc1C(=O)NCC(=O)Nc1c(cc(cc1C)C)C	PC-id_27783005	370.508	FIBPTQRKZBEFRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094567
s1c2CCCCCc2cc1C(=O)N(CC(=O)Nc1c(CC)cccc1)C	PC-id_9378515	370.508	UJKQKQYKQPORIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094568
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1ccc(O)cc1	PC-id_78777536	370.508	ZVGPOFHCWFPLKD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094569
s1c2CCCCCCc2cc1C(=O)Nc1ccc(cc1)C(=O)NC(C)C	PC-id_52689860	370.508	QNERDXJCPOONPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094570
s1c2CCCCCCc2cc1C(=O)Nc1ccc(CC(=O)N(C)C)cc1	PC-id_52228744	370.508	QSLCBLOHFQAIKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094571
s1c2CCCCCCc2cc1C(=O)Nc1cc(N2CCOCC2)ccc1	PC-id_52718787	370.508	ATTJGPPLKMLWTN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094572
s1c2CCCCCCc2cc1C(=O)Nc1c(CN(C)C(=O)C)cccc1	PC-id_40366582	370.508	JVBPPLDYIHKCON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094573
s1c2CCCCCCc2cc1C(=O)Nc1c(N2CCOCC2)cccc1	PC-id_60408774	370.508	VVKZWAXQRWAGMN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094574
s1c2CCCCCCc2cc1C(=O)N(Cc1ccc(cc1)C(=O)NC)C	PC-id_8966116	370.508	GOSQGQINTBRTOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094575
s1c2CCCCCCc2cc1C(=O)N(CCC(=O)N)Cc1ccccc1	PC-id_60350439	370.508	ZDKPJMWTJDWKNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094576
s1c2CCCCCCc2cc1C(=O)NCCNC(=O)c1cc(ccc1)C	PC-id_52707641	370.508	XRQSGBYOXSUIGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094577
s1c2CCCCCCc2cc1C(=O)NCC(=O)Nc1c(cccc1C)C	PC-id_27759888	370.508	RIPSJVBUZCOSLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094578
s1c2CCCCCCc2cc1C(=O)N(CC(=O)Nc1ccc(cc1)C)C	PC-id_9374447	370.508	GUQDHFXODKEZGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094579
s1c2CCCCCCc2cc1C(=O)NCC(=O)Nc1c(CC)cccc1	PC-id_9154013	370.508	LPUPLJPOOFNQAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094580
S(=O)(=O)(N1CC(c2n(CC1)ccc2)(/C=C/C1CC1)C)c1ccc(cc1)C	CT-id_4123845	370.508	JOQWQYQFNWLGRI-VAWYXSNFSA-N	00100000100000110101000000000010000000000000000000000000	31-01-094581
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)CC1CCOC(C)(C)C1	MCULE-7965829184,PC-id_70743960,EMOLS-id_44437323	370.51	HPKXWYBMDGWPHB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094582
CC1(C)C[C@@H](CN2CCCn3nc(CNS(=O)(=O)C)cc3C2)CCO1	PC-id_96576201,ZINC22_82115548	370.51	HPKXWYBMDGWPHB-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094583
CC1(C)C[C@H](CN2CCCn3nc(CNS(=O)(=O)C)cc3C2)CCO1	ZINC22_82115546,PC-id_96576200	370.51	HPKXWYBMDGWPHB-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094584
Cc1ccc(s1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-8788571771,CoCoCo_3840242,EMOLS-id_17157963,PC-id_24231465	370.51	RFMGBRZWWPIXHN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-094585
CCN(CC)CCCNC(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	MCULE-4645543648,EMOLS-id_317417821	370.51	WDTVEZWMDOVLKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094586
OCCOCCN(C(=O)Nc1nc2c(s1)CCCCC2)CCN(C)C	PC-id_100906147	370.51	FWYMHVLCZPONSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094587
s1c2CCCCCc2cc1C(=O)NCc1sc(S(=O)(=O)N)cc1	PC-id_18207964	370.51	QQACCPIUCNGJFA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-094588
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1sccc1	PC-id_8482874	370.51	BNLIKSJGFYOAIX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-094589
c1(C(=O)N2CCC(CC2)Sc2ccccc2C)nnc2CCCCCn12	EMOLS-id_68931489,ZINC22_299790444,MCULE-6269330147,PC-id_118790687	370.512	BEZPMBZZVQFGQE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094590
Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825134	370.512	JTCFSPXCQPMSCO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094591
CC1=C([S]=C(N1)c1ccccc1)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_320512319	370.512	ZKQRUQUSSADAQY-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-094592
CC[C@H](C(=O)NCc1nnc2n1CC[N@@H+](CC2)CCCc1ccccc1)C	GD-id_ZINC12039617	370.512	DGXMQANLMUARGJ-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-094593
CN1CCN(c2ccc(NC(=O)c3cc4c(s3)CCCCC4)cn2)CC1	PC-id_24592312,CoCoCo_4499715,CoCoCo_4499716,MCULE-5495906849,EMOLS-id_44029306,ZINC22_12613555	370.512	VARRNCBEKPZCIO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-094594
CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1csc3ccccc13)C2	PC-id_100095513,ZINC22_222424421	370.512	ATLMTGZSLFUFEY-IBGZPJMESA-N	00000000100000100101000001000010000000000000000000000000	31-01-094595
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1csc3ccccc13)C2	ZINC22_222424363,PC-id_100095510	370.512	ATLMTGZSLFUFEY-LJQANCHMSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094596
CN(C)CC(O)c1cc2CN(Cc3csc4ccccc34)CCCn2n1	MCULE-2924266959,EMOLS-id_55669445,PC-id_91783327	370.512	ATLMTGZSLFUFEY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094597
Nc1nccc(n1)C1CCCN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_98064564	370.512	SWMLZSXKEREIBO-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-094598
Oc1cc(C)c(cc1C[NH+]1CCN(CC1)Cc1nnc2n1CCCCC2)C	GD-id_ZINC32888228,PC-id_40123262	370.512	MLBOYPJEJCNAQJ-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-094599
O=C(c1ccccc1)N1CCN(CCN2CCc3ncsc3CC2)CC1	CHEMBL4437202	370.512	PGKOALRXUFBZNU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094600
O=C(c1sc2c(c1)CCCCCC2)NC1CCN(CC1)c1cccnn1	EMOLS-id_99973546	370.512	PEYBTJHQZCIACX-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-094601
O=C(C(c1ccccc1)Sc1nnc2n1CCCCC2)N1CCCCC1	PC-id_16269918,MCULE-8455905487,EMOLS-id_11668043	370.512	NCZSHNJADIPXOI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094602
O=C(C(C)C)N[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(cc1C)C)C	GD-id_ZINC12030314,PC-id_42363414	370.512	ZRVQFZDLSRGTJB-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-094603
O=C([C@@H](Sc1nnc2n1CCCCC2)c1ccccc1)N1CCCCC1	CoCoCo_4013269,PC-id_8211709,ZINC22_7081623	370.512	NCZSHNJADIPXOI-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094604
O=C([C@H](Sc1nnc2n1CCCCC2)c1ccccc1)N1CCCCC1	CoCoCo_4013270,PC-id_8211711,ZINC22_7081626	370.512	NCZSHNJADIPXOI-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094605
O=C(CSc1nnc2n1CCCCC2)NCC1(c2ccccc2)CCC1	EMOLS-id_44522974,PC-id_31107448,ZINC22_23432560,MCULE-7606567433	370.512	FWIAJXDFEQUWIF-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-094606
O=C(N1CC(C1c1cccnc1)(C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101432148	370.512	UBJOUNWYHGACMY-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-094607
O=C(N1CC(C1c1ccncc1)(C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101432124	370.512	WZEXLSXDTRRILV-UHFFFAOYSA-N	00001000100000101101100000000010000000000000000000000000	31-01-094608
O=C(N1CCCc2c(C1)ccs2)NCc1ccnc(c1)N1CCCCC1	EMOLS-id_318249294	370.512	SLYWIZSTHNSBNQ-UHFFFAOYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-094609
O=C(N1CCC(CC1)c1ccncc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101101073	370.512	AYVQJQKCWMNIHE-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-094610
O=C(N1CCC(CC1)Cc1cccnc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98656108	370.512	DUPJMLAZKOIEEX-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094611
O=C(N1CCCCCC1c1ccncc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110348155	370.512	MEOOCVPQUPLRKQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-094612
O=C(N1C[C@H]([C@@H](C1)N)c1ccccc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101825091	370.512	JWDCCXCIYQAFCS-JKSUJKDBSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094613
O=C(N1CCN(CC1)Cc1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_112825199	370.512	IYGGDUARPDLQFA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094614
O=C(NC1CCN(c2ncccn2)CC1)c1cc2c(s1)CCCCCC2	EMOLS-id_33349902,PC-id_51115667,ZINC22_46610492,MCULE-5997080096	370.512	APKDEKPTXNQWCI-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-094615
O=C(Nc1ccncc1)c1nc2CCN(CC3CCCCC3)CCc2s1	ZINC22_1201392711,EMOLS-id_313726934	370.512	FEKGLFHXIUOGOO-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094616
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(ccc(c1)C)C)C)C(C)C	PC-id_74785871	370.512	FOPXUDOUFOSDCF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-094617
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cc(cc1)C)C)C)C(C)C	PC-id_74799377	370.512	ZRVQFZDLSRGTJB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-094618
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C)CC(C)C)C	PC-id_74805613	370.512	RZSBSJDBLUJXTB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-094619
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(ccc(c1)C)C)C)C(C)C	PC-id_42246989	370.512	FOPXUDOUFOSDCF-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-094620
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(ccc(c1)C)C)C)C(C)C	PC-id_42246990	370.512	FOPXUDOUFOSDCF-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-094621
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(cc1)C)C)C)C(C)C	PC-id_42363412	370.512	ZRVQFZDLSRGTJB-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-094622
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C)CC(C)C)C	PC-id_42462821	370.512	RZSBSJDBLUJXTB-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-094623
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C)CC(C)C)C	PC-id_42462825	370.512	RZSBSJDBLUJXTB-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-094624
S=c1n2CCCCCc2nn1CN(Cc1c2c(oc1CC)cccc2)C	PC-id_9331278	370.512	NCDOGOFSJHSLQQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094625
CCCN1CCCn2nc(CNS(=O)(=O)N3CCN(C)CC3)cc2C1	ZINC22_82097698,MCULE-7348289314,PC-id_70720776,EMOLS-id_44429081	370.513	VLCMHMFXVFOLNK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094626
CC(C)N(C)S(=O)(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_45891463,ZINC22_40105637,EMOLS-id_30254291,MCULE-4058625075	370.513	PYBALSCOQJMBPQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094627
CCNC(=NCc1nnc2n1CCCCC2)NC(CCS(=O)(=O)C)C	PC-id_109829070	370.513	BVGLKGSPWWYCPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094628
CN=C(NC(CCS(=O)(=O)C)C)NCCc1nnc2n1CCCCC2	PC-id_109829104	370.513	VBEFFSLGTMNJQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094629
c12CN(CCCn1nc(CN(C)Cc1ccc(C)s1)c2)Cc1c[nH]cn1	MCULE-6948548563,EMOLS-id_43083031,ZINC22_72135244,PC-id_56888416	370.515	RLZFWWWJEGMHJN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-094630
CC(CN1CCCCc2c1sc(c2)C(=O)NC1CCS(=O)(=O)C1)C	EMOLS-id_97013212,MCULE-7059802175	370.53	NIBUUMLWUFZGOP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-094631
CCNS(=O)(=O)C1CCN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110702108	370.53	LXMQRDJEGRHPDF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-094632
CCS(=O)(=O)N1CCC(NC(=O)c2cc3c(s2)CCCCC3)CC1	PC-id_51112732,EMOLS-id_33343595,ZINC22_42809543,MCULE-9753389197	370.53	GXCLLPOIMYUNIT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-094633
CCS(=O)(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	PC-id_49600258,EMOLS-id_110577793	370.53	KEMCSIQAPLJURM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094634
CNS(=O)(=O)CC1CCCN1C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_111678255	370.53	PSEHNIKRAAWOQZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-094635
CS(=O)(=O)N1CCC[C@H](NC(=O)c2cc3c(s2)CCCCCC3)C1	ZINC22_83984834,PC-id_97001006	370.53	ULEKXAZYXDZOBA-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-094636
CS(=O)(=O)N1CCC[C@@H](NC(=O)c2cc3c(s2)CCCCCC3)C1	ZINC22_83984836,PC-id_97001007	370.53	ULEKXAZYXDZOBA-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-094637
CS(=O)(=O)NC1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1	CoCoCo_4449637,PC-id_17447164,MCULE-9501706614,EMOLS-id_13467711,ZINC22_10415393	370.53	HJXXZRGZZHJYBE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-094638
CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_32003449,ZINC22_24680194	370.53	KBNJVFZGEBBULG-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-094639
CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_32003455,ZINC22_24680199	370.53	KBNJVFZGEBBULG-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-094640
O=C(c1cc2c(s1)CCCCC2)N1CCCC(C1)CNS(=O)(=O)C	PC-id_55665901,EMOLS-id_110355173	370.53	JCVKOKLWTIEMJD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-094641
O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)N(S(=O)(=O)C)C	EMOLS-id_110588734	370.53	DBVVZCBGQAIVNY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-094642
O=C(c1cc2c(s1)CCCCC2)NCC1CCN(CC1)S(=O)(=O)C	EMOLS-id_110305988	370.53	ANJHHAUWFBQLCV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-094643
O=C(c1cc2c(s1)CCCCC2)NCCS(=O)(=O)NCC1CCC1	EMOLS-id_98848876	370.53	LHBMFPXKALVFGD-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-094644
O=C(c1sc2c(c1)CCCCCC2)NC1CCCN(C1)S(=O)(=O)C	EMOLS-id_44550332,MCULE-2475701940,PC-id_47909417	370.53	ULEKXAZYXDZOBA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-094645
O=C(c1sc2c(c1)CCCCCC2)NC[C@H]1CCCN1S(=O)(=O)C	EMOLS-id_97852713	370.53	FXCUBIJWLXDKMH-CQSZACIVSA-N	00000010100000000100000000000010000000000000000000000000	31-01-094646
O=C(N1CCCCC1CNS(=O)(=O)C)c1cc2c(s1)CCCCC2	EMOLS-id_33348479,MCULE-6576557294,PC-id_51114737	370.53	KBNJVFZGEBBULG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-094647
O=C(N1CCN([C@H](C1)C)S(=O)(=O)C)c1sc2c(c1)CCCCCC2	EMOLS-id_110831790	370.53	DMOAYFSANWHNCN-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094648
O=C(N(C1CCN(C1)S(=O)(=O)C)C)c1sc2c(c1)CCCCCC2	EMOLS-id_98751109	370.53	HTCTWGGEOYGFCP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-094649
s1c2c(CCCCC2)c(c1NC(=S)NCCCOC)C(=O)OCC	PC-id_19652137	370.53	IWPJQTNKYHKZNW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-094650
s1c2c(CCCCCC2)c(c1NC(=S)NCCCOC)C(=O)OC	PC-id_19652130	370.53	SWDVNRQCOGTSLJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-094651
s1c2c(CCCCCC2)c(c1NC(=S)NCCOC)C(=O)OCC	PC-id_19652111	370.53	NCTCYNOONYYTTA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-094652
c1(NC(=O)Cc2ccc(cc2)SCC)sc2c(CCCCC2)c1C#N	EMOLS-id_5626968,PC-id_18586844,CoCoCo_5191396,MCULE-2255860837,ChEMBL-DNDi_CHEMBLF2828-0638,ZINC22_10252472	370.531	SBTCDKPIFZYVJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094653
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2c(s1)CCCCC2	ZINC22_8279764,CoCoCo_3963832,PC-id_9406484	370.531	RPLITXGTHTVOEM-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094654
C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2c(s1)CCCCC2	ZINC22_8279765,PC-id_9406485,CoCoCo_3963833	370.531	RPLITXGTHTVOEM-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094655
CN(C(=O)c1cc2c(s1)CCCCC2)C(c1nc2c(s1)cccc2)C	EMOLS-id_11978041,MCULE-9179106059,PC-id_17426767	370.531	RPLITXGTHTVOEM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094656
s1c2CCCCCc2c(c1NC(=O)c1ccc(SC(C)C)cc1)C#N	PC-id_8701166	370.531	IVEJSRXEMLCIEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094657
s1c2CCCCCc2c(c1NC(=O)c1cc(SC(C)C)ccc1)C#N	PC-id_8701039	370.531	IDRCLWIWBXNOFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094658
s1c2CCCCCc2c(c1NC(=O)CCCSc1ccccc1)C#N	PC-id_41085826	370.531	FEBWLPSBSVPQBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094659
s1c2CCCCCc2c(c1NC(=O)CCSc1ccc(cc1)C)C#N	PC-id_7545298	370.531	VPCWEQXHCRIKSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094660
s1c2CCCCCc2c(c1NC(=O)[C@@H](SCc1ccccc1)C)C#N	PC-id_9459480	370.531	OCKDNIVMHRSYPK-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094661
s1c2CCCCCc2c(c1NC(=O)[C@H](SCc1ccccc1)C)C#N	PC-id_9459481	370.531	OCKDNIVMHRSYPK-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094662
s1c2CCCCCc2c(c1NC(=O)CSc1c(ccc(c1)C)C)C#N	PC-id_3259196	370.531	NGZSBFLTKFSIIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094663
s1c2CCCCCc2c(c1NC(=O)CSc1cc(c(cc1)C)C)C#N	PC-id_3430463	370.531	JEVNVQHQKGCHRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094664
s1c2CCCCCc2c(c1NC(=O)C(SCc1ccccc1)C)C#N	PC-id_55416696	370.531	OCKDNIVMHRSYPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094665
s1c2CCCCCCc2c(c1NC(=O)CSc1c(cccc1)C)C#N	PC-id_4152455	370.531	LLZYAIHKTDNDOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094666
CCCCC(C1=CCCC=Cn2c1nnc2C(COC/C=C/C)NC)C=C	SCHEMBL19293009	370.532	OGQVFYBPNWVNLX-OQPBJHMOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-094667
s1c(C(=O)N2CC[NH+](CC2)Cc2ccncc2)cc2CCCCCCc12	PC-id_9226369	370.532	PPWXINGCMONUGK-UHFFFAOYSA-O	00000000100010101101000000000010000000000000000000000000	31-01-094668
c12CN(CCCn1nc(CN1CCCC1C)c2)Cc1c[nH]c(CCCC)n1	MCULE-6319272138,EMOLS-id_43135068,PC-id_56901711	370.535	SJQDFYKUIHKGLR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094669
CCc1ccc(c2nc(CSc3nnc4n3CCCCC4)cs2)cc1	ZINC22_8539067,PC-id_17547999,CoCoCo_3854856,MCULE-1024259887,EMOLS-id_11896406	370.535	CRGJZNMSAYUKSO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094670
CCCCc1nc(CN2CCCn3nc(CN4CCC[C@@H]4C)cc3C2)c[nH]1	PC-id_95715160,ZINC22_72145260	370.535	SJQDFYKUIHKGLR-KRWDZBQOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094671
CCCCc1nc(CN2CCCn3nc(CN4CCC[C@H]4C)cc3C2)c[nH]1	ZINC22_244811707	370.535	SJQDFYKUIHKGLR-QGZVFWFLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-094672
Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_3375877,MCULE-6125088859,ZINC22_3448654,PC-id_2568842,CoCoCo_2861413	370.548	RYEXOKYTEDSKFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094673
CCN(Cc1ccccc1)CCCNC(=O)c1csc2c1CCCCC2	PC-id_122176108	370.551	BMQWZJDEABSIIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094674
s1c2CCCCCc2cc1C(=O)NCC(N(CC)CC)c1ccccc1	PC-id_18206933	370.551	QJUGWXLRBVWRML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094675
S=c1n(nc2n1CCCCC2)CN(C1CC1)Cc1ccc(cc1)C(C)C	PC-id_9318141	370.555	DWYFYAFLWYGGEV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-094676
CCCC/C=c/1oc(=C)c2c1CCC(C(C2/C(=C/CC)/CCC)CCC)C	PC-id_143725924	370.611	OACXOXHLUZVFHQ-BACPQZKPSA-N	00000000100000000100000000000010000000000000000000000000	31-01-094677
C1CC/C(=C/C2CCCCCc3c(CC2)scc3)/c2c(CC1)ccs2	SCHEMBL19135934	370.614	FNPZFTIBHJNEEV-FXBPSFAMSA-N	00000000100000000100000000000010000000000000000000000000	31-01-094678
Cc1cc2c(s1)CCC1(C2)CC1CCc1cc2c(s1)CCCCCC2	PC-id_91453055	370.614	VNIWMQREJHWNAT-UHFFFAOYSA-N	00100000100010000100000000000010000000000000000000000000	31-01-094679
CCc1c2-c(c(c1[Si](C(C)(C)C)(C)C)/C=[N+](/C(C)(C)C)O)ccccc2	SCHEMBL14932721	370.624	XVVIINGCYLOFHY-JLPGSUDCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-094680
CCc1c2-c(ccccc2)c(c1[Si](C)(C)C(C)(C)C)C=[N+](C(C)(C)C)O	PC-id_89554623	370.624	XVVIINGCYLOFHY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-094681
Brc1ccc(c(c1)Cl)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164491	370.632	ZDSCLHWWIJXIJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094682
Clc1cc(Br)cc(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182394	370.632	LZUUTMMFQSPUJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094684
Clc1ccc(c(c1)Br)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182460	370.632	NSMVIOCCZKYNBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094685
Clc1ccc(c(c1)C(=O)NC1CCn2c(CC1)nnn2)Br	EMOLS-id_102166306	370.632	OABYCPHCSDRCJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094686
O=C(c1ccc(c(c1)Br)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102181095	370.632	KEBSEZOAKBJGOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094687
O=C(c1cccc(c1Cl)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102180933	370.632	YIDSPZDSTADQII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094688
O=C(c1ccc(c(c1)Cl)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102182448	370.632	NXLZLHPZAVRGBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094689
Brc1c(Cl)c(OC2CCN(Cc3oc(cc23)C)C)ccc1	SCHEMBL2841339,PC-id_25027802	370.669	OQTLDUTUWLQISY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094690
ClC(Cl)(Cl)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_4399935	370.679	LHJPIKJGCWTYPE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-094691
BrC(c1cc2c(s1)CCCCC2)Cc1ccncc1Cl	PC-id_115985161	370.735	UNINNOPEFGWKJM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-094692
O=C(CN1CCCc2occc2C1)Nc1ccc(OC(F)F)c(Cl)c1	MCULE-3225814385,ZINC22_585083957,EMOLS-id_177246773	370.778	YOPHWJLYBNWPQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094693
FC(COc1c(cccc1Cl)NC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_278168078	370.782	AHYMXONMRDZJOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094694
Clc1c(c2-c(c1C(=O)OCC)ccc(cc2)C(C#N)C#N)C(=O)OCC	PC-id_51350490	370.786	KZTAYIRDNJDSJX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-094695
CC1(CC(=Cc2c(C1)[nH]c(n2)COCC(=O)O)C#Cc1ccccc1)Cl	PC-id_90753208	370.829	QZHOLLQNQVOXKB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-094696
Clc1ccc(c2oc(C(=O)NCc3n4CCCCCc4nn3)cc2)cc1	PC-id_51266331	370.833	URDBLTCDMTUTFP-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-094697
O=C(NCc1nnc2n1CCCCC2)c1ccc(c2ccccc2Cl)o1	ZINC22_198813183,EMOLS-id_177173251,MCULE-3286490089,PC-id_51266332	370.833	DQUUHHJIWQUVMQ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-094698
Cc1c(Cl)cccc1C(=O)N1CCc2nnc(Cn3cccn3)n2CC1	EMOLS-id_313725914,ZINC22_2055713379	370.836	HTXMINCEUVMREH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094699
Cc1c(Cl)cccc1C(=O)N1CCCn2c(Cn3ccnc3)nnc2C1	EMOLS-id_313732052,ZINC22_1565554210	370.836	MGYVLWJTZNMSKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094700
Clc1ccc(c2[nH]ncc2C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24646603	370.836	BEPPFPBPPJDPAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094701
Clc1ccc(cc1C(=O)NCc1nnc2CCCCCn12)n1cccn1	ZINC22_19715137,EMOLS-id_43239353,SYN-22861897,MCULE-9243317221	370.836	GCEPYZAFSAXYNG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094702
Clc1ccc(cc1)n1nc(c(c1)C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316477841	370.836	WNQWYCZKGGIVKP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094703
Clc1c(C(=O)NCc2nn3CCCNCc3c2)cc(n2nccc2)cc1	PC-id_70748563,EMOLS-id_44438897,MCULE-8508313564	370.836	OIMYLTLGXCNHAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094704
Cn1ncc(Cl)c1C(=O)N1CCc2nnc(Cc3ccccc3)n2CC1	PC-id_77085721,MCULE-7139285708,EMOLS-id_49878960,ZINC22_215529330	370.836	NAOIPAYTKVMYAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094705
Cc1c(ccc(c1)Cl)S(=O)(=O)NC1CCc2nn(c(=O)n2CC1)C	PC-id_91910837,EMOLS-id_50586115,MCULE-5851233650	370.854	DRXFVVPFPTWYAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094706
Cc1nnc2n1CCC(CC2)NS(=O)(=O)c1cc(c(cc1)OC)Cl	PC-id_91922581	370.854	NJOBGWGHEOXGJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094707
CN(C1CCc2nn(C)c(=O)n2CC1)S(=O)(=O)c1ccccc1Cl	EMOLS-id_97041903,MCULE-6331850161	370.854	IVYHZNWHONTWMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094708
COc1ccc(Cl)cc1S(=O)(=O)NCc1cc2CNCCCn2n1	MCULE-2648550562,PC-id_70763666,EMOLS-id_44444109,ZINC22_82136709	370.854	RTSLGKVONVWISW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094709
CS(=O)(=O)N(Cc1cccc(Cl)c1)Cc1nnc2n1CCOCC2	EMOLS-id_316761268,ZINC22_1615549178,MCULE-5990822032	370.854	GTYVREZFCSXBND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094710
Clc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCO)C(=O)Nc2cc1	PC-id_72651810	370.873	HSYNAUOOXXFGIB-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-094711
Clc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCCO)/C(=O)Nc2cc1	SCHEMBL6695439,PC-id_60113718	370.873	HSYNAUOOXXFGIB-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-094712
c1(C(=O)NCCCn2ccc3ccc(Cl)cc23)c2CCCCCc2[nH]n1	EMOLS-id_323256242,MCULE-4671601582	370.876	BTJIJLMPYHASFP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-094713
CC(C)c1nnc2CCN(Cc3ccc(o3)c3ccc(Cl)cc3)CCn12	MCULE-7412731234,CoCoCo_1391156,PC-id_31043213,CoCoCo_1391155,EMOLS-id_24859091,ZINC22_23367410	370.876	SYOWFEPVNNBKJY-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-094714
Clc1ccccc1c1ccc(o1)CNCCc1nnc2n1CCCCC2	PC-id_119111952,EMOLS-id_51669271,MCULE-1318294608	370.876	AALOYTLGNUQUAV-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-094715
Clc1ccc(n2c(CN3CCn4c(nnc4C(C)C)CC3)ccc2)nc1	CoCoCo_1160549,PC-id_42326373,CoCoCo_1160548	370.879	HLGXQXBAYYPVIN-UHFFFAOYSA-N	00000000110000101101100000000010000000000000000000000000	31-01-094716
CCOc1c[cH+]cc(c2c1c(C)n(c2C)Cc1ccc(cc1)Cl)OCC	CoCoCo_6389394,PC-id_35215969	370.892	QIEFHXFEMYNKSJ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-094717
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCCCCC2)c1C#N	MCULE-3279452077,PC-id_4429844	370.896	ZKNINXREGJHWML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094718
Clc1ccccc1/C=C/C(=O)Nc1sc2CCCCCCc2c1C#N	ZINC22_2740150,TIMTEC595970,SPECS-id_AK-968/12117173,PC-id_6108245,EMOLS-id_26780881,CoCoCo_6786310	370.896	ZKNINXREGJHWML-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094719
Clc1ccc(C=CC(=O)Nc2sc3CCCCCCc3c2C#N)cc1	PC-id_4197182	370.896	UUMFRTLCQMYKMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094720
Clc1ccc(/C=C/C(=O)Nc2sc3CCCCCCc3c2C#N)cc1	PC-id_6034061	370.896	UUMFRTLCQMYKMG-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094721
Clc1cc(C=CC(=O)Nc2sc3CCCCCCc3c2C#N)ccc1	PC-id_3620973	370.896	LCJRLLOSQGRJOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094722
Clc1cc(/C=C/C(=O)Nc2sc3CCCCCCc3c2C#N)ccc1	PC-id_5877461	370.896	LCJRLLOSQGRJOO-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094723
N#Cc1c(NC(=O)/C=Cc2ccccc2Cl)sc2c1CCCCCC2	PC-id_93012321,CoCoCo_6786311	370.896	ZKNINXREGJHWML-QXMHVHEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094724
Clc1c(C2=CCN(CCCc3onc4c3CCCCC4)CC2)cccc1	PC-id_59939386,SCHEMBL7963950	370.916	JUWVZJOATSCQDT-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-094725
Clc1cc(C2=CCN(CCCc3onc4c3CCCCC4)CC2)ccc1	SCHEMBL7959426,PC-id_59939451	370.916	UBFWYVYIEVRTLN-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-094726
Clc1ccc(C2=CCN(CCCc3onc4c3CCCCC4)CC2)cc1	PC-id_59939400,SCHEMBL7960204	370.916	XIJLKHZDZXBDCF-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-094727
Clc1c(C2=CCN(CCCc3n4CCCCCc4nn3)CC2)cccc1	PC-id_59939447,SCHEMBL7961207	370.919	ODBAFLLYXBPZNI-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-094728
Clc1cc(C2=CCN(CCCc3n4CCCCCc4nn3)CC2)ccc1	PC-id_59939408,SCHEMBL7949533	370.919	ZTWMNDYUXMEJBG-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-094729
Clc1ccc(C2=CCN(CCCc3n4CCCCCc4nn3)CC2)cc1	PC-id_9842360,SCHEMBL7949039	370.919	XFXMTXYBICGPIQ-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-094730
Clc1sc(CSCC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266323	370.921	IPTMGGBSNLJNEM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-094731
CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc2n1CCCCC2	EMOLS-id_3662798,ZINC22_8074590,PC-id_9207339,CoCoCo_3654432,MCULE-3495691541	370.921	YVQBJFYUYWBXLE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-094732
C[C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_149589368	371.075	ZXPHZJSIWFGDBR-MRVPVSSYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094733
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)SC(=N4)CC(=O)C	PC-id_165056980	371.113	QOXRKRXXOBUEOJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094734
COC(=O)C1(CC(C1)(F)F)CNC(=O)C2=CC3=C(S2)CCCCCC3	PC-id_164883543	371.137	JPJKYWAZLLMDKX-UHFFFAOYSA-N	00001000100000000100000000000010000000000000000000000000	31-01-094735
CCC(C1=NN=C2N1CCCCC2)NC(=O)C3=CSC(=N3)C4=CC=CO4	PC-id_154796500	371.142	RHGVPGMUWLSTOP-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-094736
c1(C(=O)Nc2c(Br)cc(cc2F)F)c2CCCCCc2on1	TIMTEC283781,MCULE-2827963916,EMOLS-id_21980673,PC-id_17254372,GD-id_ZINC20428760,ZINC22_20428760	371.177	LGDPKEVSTDJIST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094737
C1CCC2=NOC(=O)N2[C@H](C1)C/C=C/C[C@@H](C(=O)OCC3=CC=CC=C3)N	PC-id_148090160	371.185	JNRZKQSBZLDMEE-XQTSXYSPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094738
Cc1nn2CC[C@@H](C(=C)Nc2c1)NC(=O)c1nn(cn1)CC1CCCCO1	PC-id_163692187	371.207	JTXIBAVLDAKEJL-LOACHALJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094739
Clc1n(c(C(=O)N2CCCn3c(C2)cc(c3)C(=O)NO)cc1Cl)C	PC-id_58465833,SCHEMBL12210633	371.219	UWYDVVRAZDXIFZ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-094740
CCN1C2=C(C(CCCCC2)OCC3=CC=C(C=C3)C(=O)OC(C)C)N=N1	PC-id_155089754	371.221	XYXOJAGNKNQEDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094741
COCCn1c(=O)n2CCN(CCc2n1)Cc1ccc(o1)Br	EMOLS-id_50590013,MCULE-3285410195,PC-id_91922432	371.23	JVMSPOKGCKOVDR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-094742
CC1=CC(=C(C=C1)OCCNC(=O)NCCC2=NN=C3N2CCCCC3)C	MCULE-8256513378,EMOLS-id_257845255,PC-id_154773566	371.232	UHSJDIKKQGJBTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094743
CCn1c2c(C(CCCCC2)OCc2ccc(cc2)C(=O)NN(C)C)nn1	PC-id_163543999	371.232	FDLKLFNLQGTDMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094744
O=C(C1CCn2c(CC1)nnc2)NC(c1cc(F)c(cc1Cl)Cl)C	EMOLS-id_319241969	371.237	WHSCTHOCIRNXGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094745
O=C(NCCc1nnc2n1CCCCC2)c1cc(F)c(Cl)cc1Cl	EMOLS-id_44523512,MCULE-7077542751,PC-id_71898962,ZINC22_42764760	371.237	BMVRJZGDFQYYBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094746
Clc1c2N(CCCCc2sc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1	PC-id_19699083,SCHEMBL5236904	371.238	YSNVSXIAJYQJLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094747
Brc1ccc(c(c1F)C(=O)c1cc2c(s1)CCCCC2)F	PC-id_106944311	371.24	VDFCFJAHILFBDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094748
Brc1c(F)cc(C(=O)c2sc3CCCCCc3c2)c(F)c1	PC-id_64183466	371.24	KIHMKBMCVQTWGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094749
CC1(CC2CC(C1)(CN2/C=N/C3=C(C4=C(S3)CCCCC4)C=NC)C)C	PC-id_155052714	371.24	AWQCCRWSXGFDIJ-LXGCNPDESA-N	00000010100010000100000000000110000000000000000000000000	31-01-094750
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Nc1cc(c(cc1)Cl)Cl	PC-id_90625536	371.242	NTWSAMGTDLSKGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094751
Brc1ccc(cc1C)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319328221	371.253	OJAGXJGIAVUECB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094752
Brc1cccc(c1C)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319337087	371.253	WDHYUTJFZVEZPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094753
Brc1ccc(c(c1)S(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_319694366	371.253	MUNWMZJSLJRRDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094754
Brc1ccc(nc1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948526	371.253	KCMWHODAIFMPMF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094755
Brc1cncc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948379	371.253	JTHLGVRVVMKLJR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094756
Cc1cc(Br)cc(c1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319442434	371.253	IOKPGOGHDTUKKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094757
Cc1ccc(c(c1)Br)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316708351	371.253	AIHHLXAGRUNRNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094758
NCc1ccc(c(c1Br)F)Sc1nnc2n1CCCCC2	PC-id_107537552	371.271	SYMCTTOVTNRMBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094759
FC(F)(F)C(=O)c1n2c(C(CCCC2)CCOC(=O)C(F)(F)F)cc1	PC-id_76023390	371.275	NRBDVIMIUKSXGM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-094760
FC(F)(F)C(=O)c1n2c([C@H](CCCC2)CCOC(=O)C(F)(F)F)cc1	PC-id_53360952	371.275	NRBDVIMIUKSXGM-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-094761
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCCCC2)n1	EMOLS-id_334604408,MCULE-7031364475	371.281	QVMVXYUDZVKEFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094762
c1(NC(=O)COc2c(Cl)ccc(Cl)c2)sc2c(CCCCC2)n1	MCULE-6850459650,EMOLS-id_334602616	371.281	AKJCJXDPXQWFTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094763
c1(sc2c(CCCCC2)n1)NC(=O)c1c(Cl)ccc(Cl)c1OC	EMOLS-id_334602619,MCULE-1016577991	371.281	XPJBKJPPRGJZOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094764
Clc1sc2c(C(Oc3c(Cl)cc(cc3)C(=O)N)CCN(C2)C)c1	PC-id_68410063	371.281	XWMURKCTGUDCAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094765
BrC(c1sc2c(CCCCC2)c1)c1c(F)cc(c(F)c1)C	PC-id_80119071	371.283	OQGRHVXOMCPNRA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094767
BrC(c1sc2c(CCCCC2)c1)Cc1cc(F)c(F)cc1	PC-id_80384751	371.283	CHEGLNXDQDPZAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094768
BrC(c1sc2c(CCCCC2)c1)Cc1c(F)cccc1F	PC-id_80384209	371.283	CVIBMJYKDFWADA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094769
BrC(c1sc2c(CCCCC2)c1)Cc1c(F)cc(F)cc1	PC-id_80389304	371.283	GVEDUXYKHZLDGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094770
BrC(c1sc2c(CCCCC2)c1)Cc1c(F)c(F)ccc1	PC-id_80123759	371.283	YFHDJRBAGJQNLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094771
Clc1cccc(Cl)c1NC(=O)CSc1nnc2CCCCCn12	CK1487224,EMOLS-id_6783973,ZINC22_4580230,MCULE-8544291972,PC-id_3961410,CoCoCo_6269423	371.285	WIJJXJZDQZMADX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094772
Clc1ccc(NC(=O)CSc2nnc3CCCCCn23)cc1Cl	MCULE-7011648639,EMOLS-id_42849698,CoCoCo_3082109,ZINC22_24216785,PC-id_31667667	371.285	RECMSQQMKZZDES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094773
Clc1cc(NC(=O)CSc2n3CCCCCc3nn2)cc(Cl)c1	PC-id_7877413	371.285	HEBZWQOFLUGKCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094774
Clc1c(NC(=O)CSc2n3CCCCCc3nn2)cccc1Cl	PC-id_7877494	371.285	WPTHZJFTAKYPLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094775
Clc1c(NC(=O)CSc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_7877492	371.285	OTFIYIIPEIEDHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094776
Clc1c(NC(=O)CSc2n3CCCCCc3nn2)cc(Cl)cc1	PC-id_7877397	371.285	NORVAHWCEGBVHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094777
n12CCCCCc1nn(CC(=O)Nc1ccc(c(Cl)c1)Cl)c2=S	ZINC22_16776899,PC-id_16442354,CoCoCo_6601001,MCULE-7686381367	371.285	KIWMLQQJGALULZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094778
c1(NC(=O)c2cc(sc2Cl)Cl)sc2c(CCCCC2)c1C#N	CoCoCo_5010737,MCULE-9821230533,EMOLS-id_5466091,ZINC22_4174167,PC-id_4154952	371.305	OCGVDXXSUUMDPG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-094779
C1CN(CCn2c1n[nH]c2=O)C(=O)NCc1ccc(cc1)OC(F)(F)F	PC-id_91922379	371.314	AKWXBMWQWPRJNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094780
Clc1cc(CN(Cn2nc3n(CCCCC3)c2=S)C)ccc1Cl	PC-id_8227456	371.328	SKFSYIKIQFHXLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094781
Clc1c(CN(Cn2nc3n(CCCCC3)c2=S)C)cccc1Cl	PC-id_27080637	371.328	IESLQKZQAOCJGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094782
Cc1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)F)C(F)(F)F	PC-id_86345474,SCHEMBL16093830	371.329	NFFFAFMIFMFTSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094783
CC(C)n1c(c2CCN(CCc2n1)C(=O)O)OS(=O)(=O)C(F)(F)F	SCHEMBL6027740,PC-id_87929058	371.333	QDGZKHPWQVVPEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094784
Fc1ccc(cc1)CN(C(=O)C1CCn2c(CC1)nnn2)CC(F)(F)F	EMOLS-id_316597005	371.333	XWLNKHIOAWFKPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094785
c12C(=O)NCCCc1nc(NC(=O)c1ccccc1OC(F)(F)F)s2	PC-id_72720027,ZINC22_211131248,EMOLS-id_50139265,MCULE-6786172796	371.334	MTXUKQVAUBTXRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094786
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(cc1)OC(F)(F)F	PC-id_90625474	371.334	ARNNNQJIBMIGFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094787
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(ccc1)OC(F)(F)F	PC-id_90625512	371.334	BUGBUWITZZUXKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094788
BrCCN1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_80662518	371.336	SASVBEZCNIAWHW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-094789
Fc1cc(C(=O)N2CC(c3c([nH]c(c3)C#N)C(=C2)C(=O)O)(C)C)ccc1F	SCHEMBL4222438,PC-id_68962639	371.338	VAJAWZRACYZDIL-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-094790
CC(=N)c1c(cc(cc1)C(F)(F)F)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136614615	371.356	VXJFPDYOTIJWSV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-094791
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)CCC(F)(F)F)C2)n1	EMOLS-id_55620116,PC-id_91766173,MCULE-4874675939	371.358	VHNSONDQHZARTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094792
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCC(F)(F)F)C2	ZINC22_218908576,PC-id_100029500	371.358	VHNSONDQHZARTM-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094793
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)CCC(F)(F)F)C2	ZINC22_218908646,PC-id_100029503	371.358	VHNSONDQHZARTM-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094794
CN(C(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)Cc1nonc1C	PC-id_46968292,CoCoCo_491330	371.358	VEHOTGYGOWDQQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094795
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1)COC	PC-id_19523840	371.358	UIONYGKPYGYFQX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094796
CC1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18352770	371.359	ZXPHZJSIWFGDBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094797
C[C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	PC-id_145221703	371.359	ZXPHZJSIWFGDBR-QMMMGPOBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094798
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cccc2c1OC(O2)(F)F	EMOLS-id_101951037	371.359	BQPUQSGFWZZACF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-094799
NNC(c1cc2c(s1)CCCCC2)Cc1ccc(s1)Br	PC-id_105295621	371.359	RDJKANBIMOJLDI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-094800
NNC(c1cc2c(s1)CCCCC2)Cc1scc(c1)Br	PC-id_105299196	371.359	KJVJRLIDKHVSCJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-094801
NNC(c1cc2c(s1)CCCCC2)Cc1sccc1Br	PC-id_105299433	371.359	DYYBXGDZIKCJJT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-094802
OC1CNS(=O)(=O)c2c(C1)c(C(=O)Nc1ccc(c(c1)F)F)n(c2)C	SCHEMBL18352928	371.359	QGVUMCHQOMQAJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094803
OC1NCS(=O)(=O)c2c(C1)c(C(=O)Nc1ccc(c(c1)F)F)n(c2)C	SCHEMBL21327920,PC-id_139462784	371.359	YSEXMQHZBMKCSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094804
Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@@H](Oc2ncccc2F)C1	ZINC22_251996585	371.366	KYVPIQCRGMVATO-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094805
Cc1noc(C)c1C(=O)N1Cc2ccnn2C[C@H](Oc2ncccc2F)C1	ZINC22_251996588	371.366	KYVPIQCRGMVATO-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094806
CC[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(C(F)(F)F)ccc1F)C2	PC-id_100056983,ZINC22_220347420	371.372	NMFFBRQZVMJPJV-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094807
CC[C@H](O)c1cc2n(n1)CCCN(Cc1cc(C(F)(F)F)ccc1F)C2	PC-id_100056985,ZINC22_220347486	371.372	NMFFBRQZVMJPJV-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094808
CCC(O)c1cc2CN(Cc3cc(ccc3F)C(F)(F)F)CCCn2n1	EMOLS-id_55654138,PC-id_91778043,MCULE-9298152709	371.372	NMFFBRQZVMJPJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094809
CC1CCc2c(S(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C	PC-id_139471035,SCHEMBL21337029	371.377	WWQZZHAKQVBBGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094810
O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1nc2c(s1)CCCCC2	PC-id_24611832,MCULE-9312079050,EMOLS-id_19945687,CoCoCo_4546278,ZINC22_25063878	371.377	LQTJZBISNPOPGJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094811
O=C(Nc1nc2c(s1)CCCCC2)c1cccnc1OCC(F)(F)F	PC-id_32065436,EMOLS-id_30654250,MCULE-6709416319,ZINC22_24748871	371.377	TWCXPJOSLSFRJT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094812
s1c2CCCCCc2nc1NC(=O)c1ccc(OCC(F)(F)F)nc1	PC-id_24604007	371.377	FJEHOAILDQBRIQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094813
NC=Nc1c(C=S)n2c(c1C#N)CCN(CCCC2)C(=O)C(F)(F)F	PC-id_142275941	371.381	AMOIYRLWMROEMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094814
CCOC(=O)c1c2-c(ccc(cc2)/C=C/C(=O)OC)c(C(=O)OCC)c1N	CoCoCo_5709902,NSC647067,ZINC22_1630286,PC-id_6277559	371.384	DPWBJODWONDKNU-DHZHZOJOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-094815
CCOC(=O)c1c2-c(ccc(cc2)/C=CC(=O)OC)c(C(=O)OCC)c1N	PC-id_92281822,CoCoCo_5709901,ZINC22_5824118	371.384	DPWBJODWONDKNU-FLIBITNWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-094816
O/C=C/1CCCc2c(C1=O)n(Cc1cc(OC)cc(c1)OC)c(c2)C(=O)O	SCHEMBL18250035,PC-id_122705219	371.384	VCMHRJSNITZEQY-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094817
O(C(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)C=CC(=O)OC)CC	PC-id_372122	371.384	DPWBJODWONDKNU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-094818
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Cc1ccc2c(OCO2)c1	PC-id_56888907,MCULE-2369690254,ZINC22_72409815,EMOLS-id_43085107	371.387	WJJVRSZLEHJTOJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-094819
c1(C(=O)Nc2cc(ccc2C(=O)OC)C(=O)OC)c2CCCCCc2[nH]n1	MCULE-6239245765,EMOLS-id_335109485	371.387	AESYRLUXUYBVLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094820
c1(C(=O)Nc2cc(cc(C(=O)OC)c2)C(=O)OC)c2CCCCCc2[nH]n1	MCULE-1239177216,EMOLS-id_335097705	371.387	KAFLPFUKJRFLBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094821
CC(C(=O)O)NC(=O)c1ccc(cc1)NC(=O)c1noc2c1CCCCC2	MCULE-6667573554,EMOLS-id_72602565,PC-id_121946798	371.387	BAEZAUVFIGQXFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094822
O(C(=O)c1c2n(CCCCC2)c(c1N)C(=O)c1cc([N+](=O)[O-])ccc1)CC	PC-id_23960302	371.387	SNMDMGDZHMWLAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094823
OC(=O)CCNC(=O)c1ccc(cc1)NC(=O)c1noc2c1CCCCC2	PC-id_120523090,MCULE-1096122340,EMOLS-id_57606775	371.387	NXRMIOGZNJYVFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094824
OC(=O)CNC(=O)Cc1ccc(cc1)NC(=O)c1noc2c1CCCCC2	MCULE-5056507763,EMOLS-id_57608975,PC-id_120523451	371.387	SRUCTYSNAXNFHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094825
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(n[nH]1)c1ccc(cc1)F	PC-id_90625269	371.389	MBEVXJAXKWXLDI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094826
C1CC1NC(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580257,SCHEMBL14965902	371.39	ZOYMDRKVSGAFJK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-094827
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)c3ccc(OC)o3)C2)n1	MCULE-1832301853,PC-id_91781134,EMOLS-id_55663137	371.39	KJODRQHVISTPFJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-094828
Cc1noc(C)c1Cc1ccc(o1)C(=O)N1CCc2nn(C)c(=O)n2CC1	PC-id_91910628,EMOLS-id_50589945,MCULE-4532600668	371.39	ZBKWSFYGPHXBLB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-094829
Cc1noc(C)c1Cc1ccc(o1)C(=O)NC1CCc2n[nH]c(=O)n2CC1	EMOLS-id_50586023,MCULE-5873984919,PC-id_91922661	371.39	DFXADHWRAOUHFD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-094830
CN(C1CCc2nn(C)c(=O)n2CC1)C(=O)Cn1c2ccccc2oc1=O	MCULE-3521522126,PC-id_91922707,EMOLS-id_50586087	371.39	CWYGUMGSAPGQSM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094831
COc1ccc(C(=O)N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)o1	PC-id_100064724,ZINC22_220752653	371.39	KJODRQHVISTPFJ-QGZVFWFLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-094832
COc1ccc(C(=O)N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)o1	PC-id_100064726,ZINC22_220752716	371.39	KJODRQHVISTPFJ-KRWDZBQOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-094833
Oc1ccc(c(c1)O)C(=O)N1CCc2n(CC1)c(nn2)CN1CCCC1=O	SCHEMBL4164035,PC-id_15940970	371.39	GJWSESHCMYIQLF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094834
c12CN(CCCn1nc(C#N)c2)C(=O)NCCc1noc(C2CCCO2)n1	EMOLS-id_177360477,MCULE-4228817927	371.394	ZULOBABNZUWKKU-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-094835
c1(C(=O)N2CCCn3c(cc(n3)C(CO)O)C2)nnc2nc(C)cc(C)n12	MCULE-6102170972,EMOLS-id_50546261,PC-id_90652893	371.394	YTZFGBXTWJQIRW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094836
Cc1cc(C)n2c(C(=O)N3CCCn4nc([C@H](O)CO)cc4C3)nnc2n1	PC-id_100067208,ZINC22_221346821	371.394	YTZFGBXTWJQIRW-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094837
Cc1cc(C)n2c(C(=O)N3CCCn4nc([C@@H](O)CO)cc4C3)nnc2n1	PC-id_100067209,ZINC22_221346872	371.394	YTZFGBXTWJQIRW-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094838
Cc1cn(nc1)Cc1c(onc1C(=O)N1CCc2nn(c(=O)n2CC1)C)C	PC-id_91922401	371.394	VEYIQOUKUMSJPS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094839
Cc1nc2nc(CN3CCCn4nc(CCC(=O)O)cc4C3)cc(O)n2n1	ZINC22_72410952,EMOLS-id_43089373,MCULE-4041487788	371.394	PZDXNMBWFZBOJA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094840
N#Cc1cc2n(n1)CCCN(C(=O)NCCc1noc([C@@H]3CCCO3)n1)C2	ZINC22_584884523	371.394	ZULOBABNZUWKKU-AWEZNQCLSA-N	00000010100000000101100000000010000000000000000000000000	31-01-094841
N#Cc1cc2n(n1)CCCN(C(=O)NCCc1noc([C@H]3CCCO3)n1)C2	ZINC22_584884524	371.394	ZULOBABNZUWKKU-CQSZACIVSA-N	00000010100000000101100000000010000000000000000000000000	31-01-094842
O=c1n2[nH]c(nc2nc(CN2CCCn3nc(cc3C2)CCC(=O)O)c1)C	PC-id_56889959	371.394	HBESEAVYICADAP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094843
FC(F)Oc1ccc(cc1)S(=O)(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_222751297,ZINC22_670434026,MCULE-7418175033	371.402	XGNUQNQQOCQMHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094844
CCOC(=O)C1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(cc1)F	SCHEMBL17777857,PC-id_121358789	371.405	YNLAWVOZSGWVJX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-094845
CCOC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)F	PC-id_121358786,SCHEMBL17777854	371.405	POWMRQVWFUIYMF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-094846
CCOC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)C)F	SCHEMBL19702775	371.405	VZYCPCITCNKWBR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-094847
COC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)C)F	SCHEMBL19702779	371.405	VKPBLZLASLICBZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-094848
Fc1cccc(c1)CN1CCN(CC1=O)C(=O)c1noc2c1CCCCC2	EMOLS-id_101012789	371.405	RUWNPYSIGGVBEL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094849
Fc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111824007	371.405	PIEJUMOUMDHORF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094850
Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111825628	371.405	HVOJIQZMVMHSBT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094851
O=C(c1noc2c1CCCCC2)NC1CCCN(C1=O)c1ccccc1F	EMOLS-id_101003317	371.405	DPSRRSYMWCEJAA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094852
COc1c(cc(cc1)F)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625609	371.407	BRPXCLBDZVTUTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094853
COc1c(cc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2)F	PC-id_90625659	371.407	OGLVHNYCRSVRBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094854
Fc1cc(C2N(CCNC2=O)C(=O)c2nn3c(CN(CCC3)C)c2)ccc1	PC-id_50962349	371.409	RMKOMVXGBYDCGJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094855
Fc1ccc2[nH]c(COCC(=O)NCc3n[nH]c4CCCCCc34)nc2c1	ZINC22_670453648,EMOLS-id_222771950,MCULE-8375221212	371.409	PYISYHQHFPUPJR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094856
Fc1cc(C2=NOC(C2)C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_60544229	371.409	CHYGAUDIXWSWRW-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-094857
Fc1cccc(c1)N1CC(CC1=O)C(=O)NCc1cc2CNCCCn2n1	MCULE-9976732308,EMOLS-id_44428285,PC-id_70718533	371.409	SGHKIKPLZBKRST-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094858
Fc1ccc(cc1)N1CCC(C1=O)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101697260	371.409	XIOSOGLWUPQWNH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094859
Fc1ccc(CC(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)nc1	EMOLS-id_313735632,ZINC22_1565542686	371.409	VQHVNYHUTAAFMG-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-094860
Fc1ccc(CC(=O)N2CCCn3ncc(C(=O)N4CCCC4)c3C2)nc1	ZINC22_1565544840,EMOLS-id_313773003	371.409	SSUWQIULESRTEW-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-094861
Fc1cc(ccn1)C(=O)N1CCc2ncc(CNC(=O)CC3CC3)n2CC1	ZINC22_585110647,EMOLS-id_313782217	371.409	ROTDWCRKPNXCHZ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-094862
Fc1cccc(NC(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)c1	ZINC22_96259375,PC-id_97519459,EMOLS-id_44370298	371.409	ZSTAXISLEPHCHY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094863
Fc1ccc(NC(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)cc1	PC-id_97519460,EMOLS-id_44370300,ZINC22_96259376	371.409	PNMNFCQBSSXBOB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-094864
Fc1c(N2CC(CC2=O)C(=O)NCc2n3CCCCCc3nn2)cccc1	PC-id_51266319	371.409	CNJBEDCMLJYOMM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094865
n1n2CCCN(Cc3c[nH]nc3c3ccc(cc3)F)Cc2cc1C(CO)O	MCULE-1665840284,PC-id_90647287,EMOLS-id_50525609	371.409	YTHHOQVEDKWFGC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094866
n1n2CCCN(Cc3cnn(c4ccccc4F)c3)Cc2cc1C(CO)O	MCULE-9299022888,PC-id_90652405,EMOLS-id_50544493	371.409	XZWINDVYENWVKN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094867
O=C1NCCCc2nn(CC(=O)N3CCN(c4ccccc4F)CC3)cc12	MCULE-7190654878,EMOLS-id_316991555,ZINC22_634552121	371.409	RHPUVHUWCBWMKN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094868
OC[C@H](c1nn2c(c1)CN(CCC2)Cc1cn[nH]c1c1ccc(cc1)F)O	PC-id_100002569	371.409	YTHHOQVEDKWFGC-GOSISDBHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094869
OC[C@@H](c1nn2c(c1)CN(CCC2)Cc1cn[nH]c1c1ccc(cc1)F)O	PC-id_100002573	371.409	YTHHOQVEDKWFGC-SFHVURJKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094870
OC[C@@H](O)c1cc2n(n1)CCCN(Cc1cnn(c3ccccc3F)c1)C2	ZINC22_221301028,PC-id_100066813	371.409	XZWINDVYENWVKN-LJQANCHMSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094871
OC[C@H](O)c1cc2n(n1)CCCN(Cc1cnn(c3ccccc3F)c1)C2	ZINC22_221301086,PC-id_100066814	371.409	XZWINDVYENWVKN-IBGZPJMESA-N	00000000100000110101100000000010000000000000000000000000	31-01-094872
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)F)N1CCCC1=O	EMOLS-id_101952153	371.409	GAEGNOUYMZBEOZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094873
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(C1=O)c1ccccc1F	EMOLS-id_101726154	371.409	AZEQXWJKXWPIFL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094874
O=C(N1CCCc2c(C1)cnn2C)NC1CC(=O)N(C1)c1ccccc1F	EMOLS-id_101693867	371.409	LOGVOKKJBYUERU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094875
O=C(N(C1CC1)Cc1ccc(cc1F)C(=O)N)C1CCn2c(CC1)nnc2	EMOLS-id_316628330	371.409	DVHKKNOBZSVRSS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-094876
O=C(NCc1cc2n(n1)CCCNC2)[C@H]1CC(=O)N(c2cccc(F)c2)C1	PC-id_96573011,ZINC22_82097050	371.409	SGHKIKPLZBKRST-ZDUSSCGKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094877
O=C(NCc1cc2n(n1)CCCNC2)[C@@H]1CC(=O)N(c2cccc(F)c2)C1	ZINC22_82097049,PC-id_96573010	371.409	SGHKIKPLZBKRST-CYBMUJFWSA-N	00000010100000110101100000000010000000000000000000000000	31-01-094878
c1(NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCCCC2)c1C#N	EMOLS-id_2229697,ChEMBL-DNDi_CHEMBL7703453,PC-id_1422249,TIMTEC511772,STOCK4S-24493,ZINC22_5013129,MCULE-3538176155,CoCoCo_968030	371.41	VUOMECQGFIXACS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094879
CN(C=C1CCN(c2c(C1=O)scc2)C(=O)c1ccc(cc1)[N+](=O)[O-])C	PC-id_54180435,SCHEMBL5234520	371.41	PBJYEFPFQDFJBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094880
N#Cc1c(NC(=O)COC(=O)c2ccc[n+]([O-])c2)sc2c1CCCCC2	ZINC22_2619969,CoCoCo_2944257,PC-id_2081855,EMOLS-id_3247959	371.41	LJJUIYJFAYILHL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-094881
N#Cc1c(NC(=O)COC(=O)c2cc[n+]([O-])cc2)sc2c1CCCCC2	EMOLS-id_36987890,ZINC22_47077335,PC-id_56777861	371.41	HSMALKMJYQVBMY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-094882
s1c2CCCCCc2c(c1NC(=O)COc1ccc([N+](=O)[O-])cc1)C#N	PC-id_24438956	371.41	FTERGGQCQDCDDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094883
s1c2CCCCCc2c(c1NC(=O)COc1cc([N+](=O)[O-])ccc1)C#N	PC-id_32698785	371.41	TXSNNFVIANPOFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094884
s1c2CCCCCc2c(c1NC(=O)COc1c([N+](=O)[O-])cccc1)C#N	PC-id_24438987	371.41	XOTDFMWEJPQCTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094885
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1C=CC=NC1=O)C#N	PC-id_78318023	371.41	QMGOGEAWMQXCSA-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-094886
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(=O)[nH]ccc1)C#N	PC-id_3420052	371.41	ULPSGYBXWIGHMP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-094887
s1c2c(N(CC/C(=C/N(C)C)/C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1	PC-id_69365094	371.41	PBJYEFPFQDFJBZ-QBFSEMIESA-N	00000000100000110100000000000010000000000000000000000000	31-01-094888
Cc1c(c(no1)C)S(=O)(=O)N1CCc2nn(c(=O)n2CC1)CCOC	PC-id_91910670	371.412	ODCOHHIFDGCHNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094889
C1C(Cn2c(cc(n2)C(=O)NCCc2nc3ccccc3s2)C(=O)N1)O	PC-id_135089737	371.414	QOQTXFVWZTVWAZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094890
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)nn2c(nccc2)n1	ZINC22_923998,EMOLS-id_1441531,CoCoCo_309335,MCULE-3313467192,PC-id_1169242,BAS-03790536	371.414	LHUSMTSEDQVWEE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094891
c1(C(=O)OC)cc2n(CCCN(C(=O)c3ccc4c(c3)nc(s4)N)C2)n1	ZINC22_65419484,PC-id_50968008,MCULE-3006620109,EMOLS-id_32405774	371.414	GQXWLWQZZROFAE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094892
N#Cc1c(NC(=O)COC(=O)c2nccnc2N)sc2c1CCCCC2	CoCoCo_2900217,ZINC22_10139299,PC-id_41379227,EMOLS-id_25620481,MCULE-9473081176	371.414	NUJXVKRQOOCYBK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-094893
s1c2CCCCCCc2nc1NC(=O)c1n[nH]c2c1cc([N+](=O)[O-])cc2	PC-id_56021726	371.414	KJSCCRLHSQVHER-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094894
s1c(C(=O)NCc2n3CCCCCc3nn2)cc2c1ccc([N+](=O)[O-])c2	PC-id_24646578	371.414	HOXZWUITKTZERX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-094895
CCCCCCC1CC(CCCCCC)Oc2c(O1)c[se]c2	PC-id_140593252	371.416	GZUJGCVAICLESU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094896
CCCCCCC1(CCCCCC)COc2c(OC1)c[se]c2	PC-id_101536360	371.416	VAOBIZQPOMKSNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-094897
Cc1nnc(N2C[C@H](C(=O)N3CCCn4nc(C#N)cc4C3)CC2=O)s1	ZINC22_1857723003	371.417	SJABOOUESNNCAQ-LLVKDONJSA-N	00000010100000000101100000000010000000000000000000000000	31-01-094898
Cc1nnc(N2C[C@@H](C(=O)N3CCCn4nc(C#N)cc4C3)CC2=O)s1	ZINC22_1857723004	371.417	SJABOOUESNNCAQ-NSHDSACASA-N	00000010100000000101100000000010000000000000000000000000	31-01-094899
Cc1nnc(s1)N1CC(CC1=O)C(=O)N1CCCn2nc(cc2C1)C#N	EMOLS-id_330486812,MCULE-5959709016	371.417	SJABOOUESNNCAQ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-094900
O=C(NCc1cccs1)C1CN(Cc2ncnn2C1)C(=O)c1cc[nH]n1	EMOLS-id_313724119	371.417	WNWFPJWKZSOGHA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-094901
O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1	ZINC22_1565546250	371.417	WNWFPJWKZSOGHA-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-094902
O=C(NCc1cccs1)[C@H]1CN(C(=O)c2cc[nH]n2)Cc2ncnn2C1	ZINC22_2055713298	371.417	WNWFPJWKZSOGHA-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-094903
CCOC(=O)c1cc2c(n1Cc1cc(OC)cc(c1)OC)C(=O)CCCC2	PC-id_122705232,SCHEMBL18250053	371.427	WNJIWYGNOIIHLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094904
CCOC(=O)c1cc2c(n1Cc1cc(OC)ccc1OC)C(=O)CCCC2	SCHEMBL18250054,PC-id_122705233	371.427	CZYHQAGATUFPBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-094905
O(c1c2-c(c(C[C@H](NC(=O)C)C(=O)OC)cccc2)cc1)C(=O)C(C)(C)C	PC-id_11474204	371.427	CAGGTRLQIRJVRG-KRWDZBQOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-094906
O(c1c2-c(c(C[C@@H](NC(=O)C)C(=O)OC)cccc2)cc1)C(=O)C(C)(C)C	PC-id_11749049	371.427	CAGGTRLQIRJVRG-QGZVFWFLSA-N	00000010100000000110000000000010000000000000000000000000	31-01-094907
O(c1c2-c(c(CC(NC(=O)C)C(=O)OC)cccc2)cc1)C(=O)C(C)(C)C	PC-id_72975552	371.427	CAGGTRLQIRJVRG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-094908
C1CCCc2c(CC1)cc(s2)C(=O)N=Nc1c([nH]c2c1ccc(c2)F)O	PC-id_135677318	371.429	FNXTWWQKRNERSI-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-094909
O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCCc2occc2C1	ZINC22_585083519,EMOLS-id_177262862,MCULE-9227974152	371.429	MEGQNLHNROYYTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094910
s1c2CCCCCc2cc1C(=O)NNC(=O)c1[nH]c2c(c1)c(F)ccc2	PC-id_60393531	371.429	BLZZCYYSIWGNMN-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-094911
s1c2CCCCCCc2cc1C(=O)NNC1=c2c(=NC1=O)cc(F)cc2	PC-id_8861519	371.429	UJDXMVWMRLIXOU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-094912
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(cc1)OC(C)C	PC-id_56886539,EMOLS-id_43075331,ZINC22_72435917,MCULE-7726268945	371.43	AQSXHJNYUACOBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094913
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Cc1ccc(cc1)OCC	ZINC22_72476786,PC-id_56913080,MCULE-8201084435,EMOLS-id_43168616,SCHEMBL16102530	371.43	CBSQORKUMKSEFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094914
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)COc1ccc(c(C)c1)C	EMOLS-id_43176169,SCHEMBL16099675,PC-id_56915693,MCULE-7308809696,ZINC22_72479622	371.43	LJHMGQCFRRYTTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094915
c1(C(=O)Nc2ccccc2C(=O)OCCOCC)c2CCCCCc2[nH]n1	EMOLS-id_335137133,MCULE-4144865585	371.43	NVUONQWJMSWCHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094916
c1(C(=O)Nc2cccc(c2)C(=O)OCCOCC)c2CCCCCc2[nH]n1	MCULE-4596932195,EMOLS-id_335089528	371.43	ZJDIEQARQVULGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094917
c1(C(=O)Nc2ccc(cc2)C(=O)OCCOCC)c2CCCCCc2[nH]n1	MCULE-6311207996,EMOLS-id_335124323	371.43	WQEYVGSJOWWITH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094918
Cc1cc(c(o1)C)C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111418472	371.43	NWGNFFVCZSKSKU-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-094919
CCOc1nc2c(n1Cc1ccccc1)C(=O)N(C(=O)C(C2)C)CCCO	SCHEMBL20432139,PC-id_135268979	371.43	BADYRBJDRABIFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094920
COc1ccccc1CN1CCc2c(CC1)oc(n2)C(=O)N1CCOCC1	PC-id_134806246	371.43	SELRIEUDAIROHP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094921
COc1cccc(c1)CN1CCc2c(CC1)oc(n2)C(=O)N1CCOCC1	PC-id_134806545	371.43	LYHQMZYDMDAGRD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-094922
COc1ccc(cc1)C(=O)CCC(=O)N1CCCn2nc(cc2C1)C(C)O	MCULE-2995818352,EMOLS-id_55684763,PC-id_91788638	371.43	KUWOQGZOYRBUMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094923
COc1ccc(C(=O)CCC(=O)N2CCCn3nc([C@@H](C)O)cc3C2)cc1	PC-id_100175129,ZINC22_222988115	371.43	KUWOQGZOYRBUMD-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094924
COc1ccc(C(=O)CCC(=O)N2CCCn3nc([C@H](C)O)cc3C2)cc1	ZINC22_222988177,PC-id_100175139	371.43	KUWOQGZOYRBUMD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094925
n1c(C(CO)O)cc2CN(CCCn12)C(=O)CCCC(=O)c1ccccc1	MCULE-7806675496,EMOLS-id_50532895,PC-id_90649267	371.43	GKGYILSAGLGIQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094926
O=C(CCCC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1)c1ccccc1	PC-id_100044225,ZINC22_219601293	371.43	GKGYILSAGLGIQM-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-094927
O=C(CCCC(=O)N1CCCn2nc([C@H](O)CO)cc2C1)c1ccccc1	ZINC22_219601358,PC-id_100044227	371.43	GKGYILSAGLGIQM-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094928
O=C([C@H](C/C=CC[C@H]1CCCCc2n1c(=O)on2)N)OCc1ccccc1	PC-id_142225129	371.43	JNRZKQSBZLDMEE-QKVQGTQPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094929
O=C([C@@H](C/C=CC[C@H]1CCCCc2n1c(=O)on2)N)OCc1ccccc1	PC-id_142831827	371.43	JNRZKQSBZLDMEE-JCBPLVBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094930
s1c2CCCCCc2cc1C(=O)NN=Cc1ccc(OCC(=O)[O-])cc1	PC-id_78620788	371.43	BXWMOJIKVVALOL-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-094931
s1c2CCCCCc2cc1C(=O)NN=Cc1c(OCC(=O)[O-])cccc1	PC-id_78620859	371.43	RUCIUBKDSPYCIS-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-094932
Cc1nc(C(=O)Nc2nc3c(s2)CCCCC3)nn1c1ccc(F)cc1	EMOLS-id_27383260,CoCoCo_4546244,ZINC22_12829240,PC-id_25541368,MCULE-2719189639	371.432	OMKTVROEPGTXOE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094933
Fc1ccc(Cc2nnc(NC(=O)c3n[nH]c4CCCCCc34)s2)cc1	EMOLS-id_323249851,MCULE-3019596904	371.432	WYVZWISGCCEQHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094934
s1c2CCCCCc2cc1C(=O)Nc1cc(n2nnnc2C)ccc1F	PC-id_56452556	371.432	PBIVCZCBZRDXEN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094935
s1c2CCCCCc2cc1C(=O)Nc1cc(n2nnnc2C)c(F)cc1	PC-id_56468738	371.432	KUBIRABKRQSKKQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094936
s1c(nc(C(=O)NCc2n3CCCCCc3nn2)c1)c1ccc(F)cc1	PC-id_24676703	371.432	DYRHWKFKHZCWFP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-094937
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1O)C)c2)C(=O)N(C)C	EMOLS-id_46039417,PC-id_72857521,ZINC22_91435352,MCULE-7048401715	371.433	YJBQGYFVPJFDJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094938
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1)OC)c2)C(=O)N(C)C	ZINC22_82108554,EMOLS-id_44434711,PC-id_70736646,MCULE-5345991154	371.433	VYGLNSZWVOSBMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094939
c12CN(CCCn1nc(CNC(=O)c1c(CC)ocn1)c2)C(=O)C1CCC1	ZINC22_82115931,EMOLS-id_44437593,PC-id_70744711,MCULE-9211508155	371.433	CSIDRNXBGSZZJG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094940
c12CN(CCCn1nc(CNC(=O)c1c(C)noc1C)c2)C(=O)C1CCC1	MCULE-1951159550,EMOLS-id_44438351,ZINC22_82120165,PC-id_70746903	371.433	HANZEQBHKDDOSC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094941
c12CN(CCCn1nc(CNC(=O)c1cc(on1)CC)c2)C(=O)C1CCC1	EMOLS-id_44435927,ZINC22_82109451,PC-id_70740008,MCULE-1679400507	371.433	DNHOZPIPLUZHFK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094942
c12CN(CCCn1nc(CNC(=O)c1cnoc1CC)c2)C(=O)C1CCC1	ZINC22_77406544,MCULE-5604993610,EMOLS-id_43576625,PC-id_70741076	371.433	WASFPTCXSZKWRF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-094943
c12CN(CCCn1nc(CNC(=O)COc1ccccc1)c2)C(=O)N(C)C	EMOLS-id_44442765,ZINC22_82133653,MCULE-3519209290,PC-id_70759731	371.433	YTXVIHGKTOYRHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094944
c12CN(CCCn1nc(CNC(=O)NCc1ccc(cc1)OC)c2)C(=O)C	PC-id_70734904,ZINC22_82108136,EMOLS-id_44434081,MCULE-9074694906	371.433	FFYMATGYFHJCFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094945
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc2c(OCO2)c1	PC-id_70730848,ZINC22_82107028,MCULE-4885097658,EMOLS-id_44432701	371.433	JIVKFEJGVXNIQE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-094946
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(cc1)C(=O)O	ZINC22_82109607,EMOLS-id_44436163,PC-id_70740702,MCULE-7321964284	371.433	XUBXWPUOMAJFGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094947
c12CN(CCCn1nc(CNC(=O)OCc1ccccc1)c2)C(=O)N(C)C	MCULE-5173640885,EMOLS-id_44428517,ZINC22_82097323,PC-id_70719116	371.433	HJIHSNJWYIQVGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094948
c12C(=O)NCC(O)Cn1nc(C(=O)NCCN(C)CCc1ccccc1)c2	MCULE-6666368036,EMOLS-id_82704683,PC-id_119060381	371.433	PDUHMVONVIZLHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094949
c1(cc(oc1C)C)C(=O)N1CCCn2c(cc(n2)CN2CCNC(=O)C2)C1	MCULE-9200951640,PC-id_56903601,ZINC22_72447777,EMOLS-id_43140558	371.433	SCVCQBPZCURIPL-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-094950
c1(C(=O)NCc2cc3n(CCCN(C(=O)C)C3)n2)c(C)[nH]c(C(=O)C)c1C	PC-id_70727207,EMOLS-id_44431347,MCULE-7033110852,ZINC22_82099948	371.433	VTOPLUYUAHATIL-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-094951
c1(C(=O)NCc2c(C)cc(nc2OC)C)cc2n(CCCN(C(=O)C)C2)n1	PC-id_50972690,ZINC22_65452737,MCULE-3531293448,EMOLS-id_32414562	371.433	INHKJOISOHCQSQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094952
c1(C(=O)NCC(=O)Nc2cc(C)ccc2OC)cc2n(CCCN(C)C2)n1	EMOLS-id_32375250,MCULE-7407618659,PC-id_50951878,ZINC22_65374679	371.433	FUEFMLNVYVKKPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094953
c1(C(=O)OC)cc2n(CCCN(Cc3cccnc3N3CCOCC3)C2)n1	MCULE-7085094044,ZINC22_65375791,PC-id_50952545,EMOLS-id_32376496	371.433	GQQOZIFDWIMXLT-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-094954
Cc1ccc(c(c1)OCC(=O)N(C)C)NC(=O)C1CCn2c(CC1)nnc2	MCULE-5056266153,EMOLS-id_320336172	371.433	KHIKECIWYZKWQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094955
Cc1ccc(cn1)O[C@H]1COCC[C@H]1NC(=O)c1nnc2n1CCCCC2	MCULE-1787600519,EMOLS-id_55636268	371.433	XSFNDAIMYGNOJG-CVEARBPZSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094956
Cc1ccc(NC(=O)CN(C)C(=O)Cn2nc3n(c2=O)CCCCC3)cc1	ZINC22_12928494,EMOLS-id_24108347,MCULE-6450445266,CoCoCo_4406415,PC-id_25612073	371.433	FBLMWFSPDINLQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094957
Cc1cc(nc(=O)n1CC(=O)N1CCCn2c(cc(n2)C(C2CC2)O)C1)C	PC-id_91771492	371.433	JJWVFWRLTDIIAB-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-094958
Cc1cc(=O)n(nc1C)CC(=O)N1CCCn2c(cc(n2)C(C2CC2)O)C1	PC-id_91774452	371.433	XPKGNYZKCGHYKY-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-094959
Cc1ncc(cc1)OC1COCCC1NC(=O)c1nnc2n1CCCCC2	PC-id_91771832	371.433	XSFNDAIMYGNOJG-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-094960
CCC(c1nnc2n1CCCCC2)NC(=O)NCc1ccc(cc1)C(=O)O	MCULE-2705024530,EMOLS-id_72715363,PC-id_122005173	371.433	UJBZCFKETQRGHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094961
CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1nnc2n1CCCCC2	MCULE-4372791694,ZINC22_45570058,EMOLS-id_316286583	371.433	QUBDEYFKIBCNDL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-094962
CCN(CCNC(=O)c1nn2CC(CNC(=O)c2c1)O)c1cccc(c1)C	PC-id_135102393	371.433	MKCURGFCRZYZFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094963
CCOC(=O)c1cn[nH]c1C1CCN(C1)C(=O)c1cnc2n1CCCCC2	EMOLS-id_316524255	371.433	SPNDUKVKQGSWFZ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-094964
CN(CCNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)CCc1ccccc1	ZINC22_426394618	371.433	PDUHMVONVIZLHQ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094965
CN(CCNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O)CCc1ccccc1	ZINC22_426394619	371.433	PDUHMVONVIZLHQ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094966
CNC(=O)c1ccc(OC)c(NC(=O)NCc2n[nH]c3c2CCCCC3)c1	MCULE-1050880162,PC-id_118792980,EMOLS-id_68935960,ZINC22_299795348	371.433	KFXVWKFUJOMLDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094967
COc1ccc(CNC(=O)N2CCc3nn(CC4CC4)c(=O)n3CC2)cc1	PC-id_91910681,MCULE-2502205377,EMOLS-id_50585797	371.433	ISYAFDRAFBRAGQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-094968
n12CCN(CCc1nnc2CNC(=O)C1CCOC1)CC=Cc1ccco1	MCULE-5812636161,PC-id_75099150	371.433	ZMWXJGHBVGVRKV-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-094969
NC(=O)[C@H]1CCCN(Cc2cc3n(n2)CCCN(C(=O)c2ccoc2)C3)C1	ZINC22_72432454	371.433	PTWFXSJCDRKCKT-AWEZNQCLSA-N	00000000101010000101000000000010000000000000000000000000	31-01-094970
NC(=O)[C@@H]1CCCN(Cc2cc3n(n2)CCCN(C(=O)c2ccoc2)C3)C1	ZINC22_72432456	371.433	PTWFXSJCDRKCKT-CQSZACIVSA-N	00000000101010000101000000000010000000000000000000000000	31-01-094971
NC(=O)COc1ccccc1C(=O)NCCCc1nnc2n1CCCCC2	EMOLS-id_71707935,MCULE-9729687831,PC-id_119110795	371.433	VJXXQRQPLQKAAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094972
NC(=O)COc1ccc(cc1)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_119110797,EMOLS-id_71707941,MCULE-6555961246	371.433	XJVQUOGIPYDYIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094973
O1C(CN2CCCn3nc(cc3C2)CCC(=O)O)Cc2c1nc(nc2C)C	PC-id_56916532	371.433	SFHVIEXRFMMJKB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-094974
OCc1ccc(cc1)C(=O)NCc1nn2c(c1)CN(CCC2)C(=O)N(C)C	PC-id_102602825	371.433	DFRSGEOTTIDNOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094975
O=C(Cc1ccccc1O)NCc1nn2c(c1)CN(CCC2)C(=O)N(C)C	PC-id_102602759	371.433	CDDUZOQWGXKVIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094976
O=C([C@@H]1COCC1)NCc1nnc2n1CCN(CC2)C/C=Cc1ccco1	CoCoCo_1183696,CoCoCo_1183698	371.433	ZMWXJGHBVGVRKV-BGGTVIOKSA-N	00000010101000000101000000000010000000000000000000000000	31-01-094977
O=C([C@H]1COCC1)NCc1nnc2n1CCN(CC2)C/C=Cc1ccco1	CoCoCo_1183700,CoCoCo_1183702	371.433	ZMWXJGHBVGVRKV-PEXHTFQZSA-N	00000010101000000101000000000010000000000000000000000000	31-01-094978
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cccc(c1)N1CCOCC1	PC-id_87042484	371.433	FGXRINSPTIQJAU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-094979
O=C(N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O)Cn1c(C)cc(nc1=O)C	PC-id_100042924	371.433	JJWVFWRLTDIIAB-SFHVURJKSA-N	00100000100000100101000000000010000000000000000000000000	31-01-094980
O=C(N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O)Cn1c(C)cc(nc1=O)C	PC-id_100042927	371.433	JJWVFWRLTDIIAB-GOSISDBHSA-N	00100000100000100101000000000010000000000000000000000000	31-01-094981
O=C(N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O)Cn1nc(C)c(cc1=O)C	PC-id_100049304	371.433	XPKGNYZKCGHYKY-IBGZPJMESA-N	00100000100000100101000000000010000000000000000000000000	31-01-094982
O=C(N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O)Cn1nc(C)c(cc1=O)C	PC-id_100049305	371.433	XPKGNYZKCGHYKY-LJQANCHMSA-N	00100000100000100101000000000010000000000000000000000000	31-01-094983
O=C(N1CCCn2c(C1)cc(n2)CNC(=O)c1cccc(c1C)O)N(C)C	PC-id_102602764	371.433	KWSOCUMFDQXBAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094984
O=C(N1CCCn2nc(cc2C1)CN(Cc1ccoc1)C)C1NC(=O)CC1	PC-id_76424906	371.433	LOTNHBOOFUQDBQ-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-094985
O=C(N1CCCn2nc(cc2C1)CN(Cc1ccoc1)C)[C@H]1NC(=O)CC1	PC-id_56890468	371.433	LOTNHBOOFUQDBQ-KRWDZBQOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-094986
O=C(N1CCCn2nc(cc2C1)CNC(=O)c1c(cc(n(c1=O)C)C)C)C	PC-id_70759485	371.433	CUDGNIRJQVQNEC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-094987
O=C(N1CCCn2nc(cc2C1)CNC(=O)C1C=CC(=NC1=O)C(C)C)C	PC-id_78084976	371.433	MUFKQJDDYKIHHY-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-094988
O=C(NCc1ccc(cc1)C(=O)O)NCCCc1nnc2n1CCCCC2	MCULE-7528886443,PC-id_122003798,EMOLS-id_72712661	371.433	UTNYBWZVAQEFIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094989
O=C(NCc1n2CCCCCc2nn1)C1CCN(CC1)C(=O)c1occc1	PC-id_51266365	371.433	BCLLIICESZVNPF-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-094990
O=C(NCc1n2CCCCCc2nn1)[C@H](NC(=O)OCc1ccccc1)C	PC-id_32072608,CoCoCo_4639259	371.433	UMCLLJPUDLNXGT-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094991
O=C(NCc1n2CCCCCc2nn1)[C@@H](NC(=O)OCc1ccccc1)C	PC-id_32072613,CoCoCo_4639260	371.433	UMCLLJPUDLNXGT-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094992
O=C(NCc1n2CCCCCc2nn1)C(NC(=O)OCc1ccccc1)C	MCULE-2887537222,EMOLS-id_18865125,PC-id_42884573	371.433	UMCLLJPUDLNXGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094993
O=C(NCc1nnc2CCN(C/C=C/c3ccco3)CCn12)C1CCOC1	EMOLS-id_44851525,PC-id_45179223,ChEMBL-DNDi_CHEMBL17099768	371.433	ZMWXJGHBVGVRKV-HNQUOIGGSA-N	00000010101000000101000000000010000000000000000000000000	31-01-094994
O=C(NCc1nnc2n1CCN(C/C=C/c1ccco1)CC2)[C@@H]1CCOC1	ZINC22_64031705,CoCoCo_1183701,CoCoCo_1183703	371.433	ZMWXJGHBVGVRKV-BQTXGFLSSA-N	00000010101000000101000000000010000000000000000000000000	31-01-094995
O=C(NCc1nnc2n1CCN(C/C=C/c1ccco1)CC2)[C@H]1CCOC1	ZINC22_64031706,CoCoCo_1183697,CoCoCo_1183699	371.433	ZMWXJGHBVGVRKV-KZTTYJGESA-N	00000010101000000101000000000010000000000000000000000000	31-01-094996
O=C(NCCc1n2CCCCCc2nn1)CCNC(=O)/C=C/c1occc1	PC-id_55618411	371.433	JVAPNAPRFZYCNW-BQYQJAHWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-094997
O=C(NCCc1n2CCCCCc2nn1)CCNC(=O)C=Cc1occc1	PC-id_76250197	371.433	JVAPNAPRFZYCNW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-094998
O=C(OC(C)(C)C)Nc1ccccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278114539	371.433	ZSWJTCPOYLBZOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-094999
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1cnc(nc1C)C(C)C	MCULE-6653290892,ZINC22_72428926,PC-id_56897688,EMOLS-id_43121079	371.434	SOJTVKRPFSOUHT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-095000
c12CN(CCCn1nc(CN1CCCC(C(=O)N)C1)c2)C(=O)c1ccoc1	MCULE-5334080539,PC-id_56885714,EMOLS-id_43071961	371.434	PTWFXSJCDRKCKT-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-095001
c1(C(=O)N2CCOCC2)cc2n(CCCN(Cc3c(O)ccc(C)n3)C2)n1	PC-id_50980988,EMOLS-id_32430256,MCULE-4187954650,ZINC22_65507009	371.434	YFXAXLFREGKAEV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-095002
c1(C(=O)NCc2cc3n(CCCN(C(=O)C4CCC4)C3)n2)oc(nc1C)C	PC-id_70717701,MCULE-2054995950,EMOLS-id_43562399,ZINC22_77322842	371.434	RHGHUVNSZUONGN-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-095003
c1(C(=O)NCc2cc3n(CCCN(C(=O)C)C3)n2)ccc([nH]c1=O)C(C)C	ZINC22_82136998,PC-id_70764963,MCULE-9300806691,EMOLS-id_44444541	371.434	RZIGCVMMVWBVIL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095004
CC(=O)N[C@@H]1CN(C(=O)c2noc3c2CCCCC3)C[C@H]1c1ccnn1C	EMOLS-id_320336837,MCULE-1972501822,ZINC22_1615546928	371.434	IPIFTUYIYQZLSQ-HUUCEWRRSA-N	00000010100000000101100000000010000000000000000000000000	31-01-095005
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)C(=O)c1ccc(C)nc1O	PC-id_91910912,EMOLS-id_50590600,MCULE-2524142496	371.434	QHJIKWFTANEBGH-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-095006
COc1ccc(cc1)C1(CCOCC1)NC(=O)C1CCn2c(CC1)nnn2	EMOLS-id_318226273	371.434	JJOHLPDPOWSRTG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095007
COc1cccc(c1)N1CCN(CC1)C(=O)C1CCCCc2n1c(=O)[nH]n2	MCULE-4372217796,EMOLS-id_207869232	371.434	VFTOADJLRFHVAI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095008
O=C1N(CC(C1)C(=O)NCCc1n2CCCCCc2nn1)Cc1occc1	PC-id_75805844	371.434	NJTWEQMRCLRITA-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-095009
O=C1N(C[C@@H](C1)C(=O)NCCc1n2CCCCCc2nn1)Cc1occc1	PC-id_52204528	371.434	NJTWEQMRCLRITA-CQSZACIVSA-N	00000010101000000101000000000010000000000000000000000000	31-01-095010
O=C1N(C[C@H](C1)C(=O)NCCc1n2CCCCCc2nn1)Cc1occc1	PC-id_52204529	371.434	NJTWEQMRCLRITA-AWEZNQCLSA-N	00000010101000000101000000000010000000000000000000000000	31-01-095011
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)CN(Cc1cccnc1)C	PC-id_56909909	371.434	JTIXCIOGNWKQSX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095012
O(c1c(/C=C(c2n3CCCCCc3nn2)/C#N)cccc1)Cc1cccnc1	PC-id_52643272	371.435	OKILLHFPERBUBD-UYRXBGFRSA-N	00000000100000111101000000000010000000000000000000000000	31-01-095013
O(c1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1)Cc1cccnc1	PC-id_75890418	371.435	OKILLHFPERBUBD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-095014
O(c1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1)Cc1ncccc1	PC-id_32495495	371.435	JHTWSVIWQJZSRG-NBVRZTHBSA-N	00000000100000111101000000000010000000000000000000000000	31-01-095015
O(c1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1)Cc1ncccc1	PC-id_74626137	371.435	JHTWSVIWQJZSRG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-095016
O(c1ccc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)Cc1ccncc1	PC-id_52643271	371.435	DKYCAMQPLKHNJA-RGEXLXHISA-N	00000000100000111101000000000010000000000000000000000000	31-01-095017
O(c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1)Cc1ccncc1	PC-id_75890417	371.435	DKYCAMQPLKHNJA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-095018
O=C(c1ccc2c(c1)cc[nH]2)N1CCc2n(CC1)c(nn2)Cc1ccccc1	CoCoCo_1206000,ChEMBL-DNDi_CHEMBL19628457,PC-id_26278928	371.435	KELGJFVVEBNPKW-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-095019
c12CN(CCCn1nc(CNC(=O)c1cc(C)nc(C)n1)c2)C(=O)N(C)C	PC-id_70749347,MCULE-1214464503,ZINC22_82120750,EMOLS-id_44439169	371.437	UOYCQDBJFDFCFR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-095020
c12CN(CCCn1nc(CNC(=O)CCn1cncn1)c2)C(=O)C1CCC1	ZINC22_82133969,MCULE-8002059414,EMOLS-id_44443041,PC-id_70760548	371.437	VBWGOORSYXCVDF-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-095021
c12CN(CCCn1nc(CNC(=O)CCn1cnnc1)c2)C(=O)C1CCC1	MCULE-7047952165,EMOLS-id_44434267,PC-id_70735327,ZINC22_82108256	371.437	NWBBPCNMSURMQG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-095022
c1(cn2c(CCN(Cc3cnn(C)c3)CC2)n1)C(=O)N1CCNC(=O)CC1	EMOLS-id_331097114,ZINC22_1875243456,MCULE-8215568394	371.437	HQHKENLZCCHOHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095023
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3onc(C(C)C)n3)C2)n1	PC-id_91794091,EMOLS-id_55700882,MCULE-8218488194	371.437	FDADFONKHLJTJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095024
CC1CC(C1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366813	371.437	FPTJCHMBVRMWAP-UBHUBRDASA-N	00001000100000000101000000000010000000000000000000000000	31-01-095025
Cc1ccnc(c1)OC1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102167071	371.437	XVHRSBSOVKXISD-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-095026
CCC1CC(C1)Cn1cnc(n1)C(=O)NC1CCn2c(N(C1=O)C)ccn2	SCHEMBL19641570	371.437	OFHQBGPYYCEWIK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-095027
CCC1CC(C1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL19641533	371.437	OFHQBGPYYCEWIK-RUXDESIVSA-N	00001000100000000101000000000010000000000000000000000000	31-01-095028
CC(c1nnc(o1)CN1CCCn2c(C1)cc(n2)[C@H](c1ccnn1C)O)C	PC-id_100049092	371.437	YSHKFYWXXKDJRU-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095029
CC(c1nnc(o1)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccnn1C)O)C	PC-id_100049093	371.437	YSHKFYWXXKDJRU-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095030
CC(C)c1nnc(o1)CN1CCCn2c(cc(n2)C(c2ccnn2C)O)C1	PC-id_91774186	371.437	YSHKFYWXXKDJRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095031
CC(C)c1noc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)n1	ZINC22_223531662,PC-id_100266912	371.437	FDADFONKHLJTJO-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095032
CC(C)c1noc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)n1	ZINC22_230596554	371.437	FDADFONKHLJTJO-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095033
CC[C@@H]1C[C@H](C1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18366838	371.437	OFHQBGPYYCEWIK-IHRRRGAJSA-N	00001000100000000101000000000010000000000000000000000000	31-01-095034
CC[C@@H]1C[C@@H](C1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18366840	371.437	OFHQBGPYYCEWIK-MJBXVCDLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-095035
C[C@@H]1C[C@@H](C1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366832	371.437	FPTJCHMBVRMWAP-YUTCNCBUSA-N	00001000100000000101000000000010000000000000000000000000	31-01-095036
C[C@@H]1C[C@H](C1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366833	371.437	FPTJCHMBVRMWAP-UBHSHLNASA-N	00001000100000000101000000000010000000000000000000000000	31-01-095037
CCn1nc2n(c1=O)CCC(CC2)C(=O)N1CCN(CC1)c1ncccn1	EMOLS-id_207876857	371.437	DGUOSIFVHWDQCU-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-095038
Cn1ccc(n1)N1CCCC(C1=O)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101724366	371.437	SCTOVJNNSNPMSJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-095039
COc1ccccc1N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183048	371.437	FXXHVBLPIVLINQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095040
COC(=O)c1ccc(N2CCN(Cc3nnc4n3CCCCC4)CC2)nn1	PC-id_53508205,EMOLS-id_35724502,MCULE-9844608908,ZINC22_65479875	371.437	MYWOYMVCULYDFH-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-095041
O=C1C(CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CCCC1	SCHEMBL18366488	371.437	NXCMOHKGTBICDP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095042
O=c1cc(cnn1C)N1CC[C@@H](C1)CNC(=O)c1nnc2n1CCCCC2	CoCoCo_1620142	371.437	UFOSSJZHJGJAKD-CYBMUJFWSA-N	00000010100000100101100000000010000000000000000000000000	31-01-095043
O=c1cc(cnn1C)N1CC[C@H](C1)CNC(=O)c1nnc2n1CCCCC2	CoCoCo_1620143	371.437	UFOSSJZHJGJAKD-ZDUSSCGKSA-N	00000010100000100101100000000010000000000000000000000000	31-01-095044
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1(C)CCC1	SCHEMBL18367010	371.437	VXYQDXQJACFETA-ZDUSSCGKSA-N	00001000100000000101000000000010000000000000000000000000	31-01-095045
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CCCC1	SCHEMBL18372810	371.437	NXCMOHKGTBICDP-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095046
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1ncn(n1)CC1(C)CCCC1	SCHEMBL18366821	371.437	VDPCDUQRTFJJAT-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095047
O=C(N1CCC(CC1)Oc1ccncc1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102168940	371.437	RGGVZXZWWRSWNG-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-095048
O=C(N1CCCn2nc(cc2C1)CNc1ncccc1C(=O)NC)N(C)C	PC-id_70779154	371.437	LPGGSSLLPBYFFD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095049
O=C(NCC1CCN(C1)c1cc(=O)n(nc1)C)c1n2CCCCCc2nn1	PC-id_45248467	371.437	UFOSSJZHJGJAKD-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-095050
O(C(=O)C1NNCC1CN1CCn2c(nnc2Cc2cccnc2)CC1)C	PC-id_76438344	371.437	RESLQGGNGHMLSM-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-095051
s1c2CCCCCc2nc1NC(=O)Cc1c([O-])n2c(nc1C)nnc2C	PC-id_51597865	371.437	ZAGNANOPDKCSBK-UHFFFAOYSA-M	00000000100000100101000001000010000000000000000000000000	31-01-095052
s1c2CCCCCCc2nc1NC(=O)Cc1c(nc2n(ncn2)c1[O-])C	PC-id_51597842	371.437	MNIIZBLFQTXFSJ-UHFFFAOYSA-M	00000000100000100101000001000010000000000000000000000000	31-01-095053
n12CCCCCc1nnc2C(=CC=Cc1nnn(Cc2ccccc2)c1)C#N	PC-id_84988755	371.438	RBALZKSYVKBDSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095054
n12CCCCCc1nnc2/C(=C/C=C/c1nnn(Cc2ccccc2)c1)/C#N	PC-id_9353358	371.438	RBALZKSYVKBDSC-QHQNIVRKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095055
C1CCC(C1)CN1CCc2c(CC1)oc(n2)C(=O)NCc1cc(ccc1)F	PC-id_134810849	371.448	CBAQCAOKOHLVND-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095056
Fc1ccccc1CN1CC(CC(=O)N2CCOCC2)Cn2cccc2C1	EMOLS-id_313814561	371.448	XXPIYHJSBQQBQD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095057
Fc1ccc(CN2CC(CC(=O)N3CCOCC3)Cn3cccc3C2)cc1	EMOLS-id_313811490	371.448	ARCXHJRDMRGCFW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095058
O=C(c1n[nH]c2c1CCCCCC2)N1CCC(CC1)Oc1ccccc1F	ZINC22_19350138,SYN-19992162,PC-id_46968295,CoCoCo_491339,CoCoCo_491338	371.448	MMJNRVJPXPLSKQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095059
O=C(C[C@H]1CN(Cc2ccccc2F)Cc2cccn2C1)N1CCOCC1	ZINC22_585099239	371.448	XXPIYHJSBQQBQD-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095060
O=C(C[C@@H]1CN(Cc2ccccc2F)Cc2cccn2C1)N1CCOCC1	ZINC22_585099240	371.448	XXPIYHJSBQQBQD-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095061
O=C(C[C@@H]1CN(Cc2ccc(F)cc2)Cc2cccn2C1)N1CCOCC1	ZINC22_585099007	371.448	ARCXHJRDMRGCFW-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095062
O=C(C[C@H]1CN(Cc2ccc(F)cc2)Cc2cccn2C1)N1CCOCC1	ZINC22_585099008	371.448	ARCXHJRDMRGCFW-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095063
c1(NC(=O)C=Cc2cccc(OC)c2)sc2c(CCCCC2)c1C(=O)O	MCULE-3724555739	371.45	KFKUUGGSWJRUGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095064
CC(=O)c1cccc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c1	MCULE-7381528958,EMOLS-id_3025071,CoCoCo_2861417,PC-id_4580294,ZINC22_5362150	371.45	STAZUYSKLHUEDS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095065
CCOC(=O)C1=CCC=C(c2c1scc2COc1cccc(c1)OC)N	PC-id_143425757	371.45	TWDUTEQNTNWNSS-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-095066
CC(=O)Nc1ccc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1	EMOLS-id_3470647,PC-id_4855471,CoCoCo_2861351,MCULE-9960170269,ZINC22_5361935	371.45	KLPFPCMPYWTUBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095067
COc1cccc(/C=C/C(=O)Nc2sc3CCCCCc3c2C(=O)O)c1	PC-id_28860512,EMOLS-id_179129754	371.45	KFKUUGGSWJRUGJ-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095068
COC(=O)c1c(NC(=O)c2ccc3c(c2)COC3)sc2c1CCCCC2	EMOLS-id_44560693,PC-id_71881485,ZINC22_64390130,MCULE-6604357842	371.45	VWAHQDDZJVTLPF-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-095069
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(cccc1)C(=O)C	PC-id_2670636	371.45	ADYNZHXZHOQIPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095070
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)C	PC-id_7650085	371.45	ROZILHSRZDNRIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095071
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)Cc1ccccc1	PC-id_30553004	371.45	CVAZXWWDXUDIAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095072
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C(=O)C)C(=O)OC	PC-id_3268045	371.45	TWWIBSDBAFVSFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095073
s1c2c(CCCCC2)c(c1NC(=O)C1Oc2c(C1)cccc2)C(=O)OC	PC-id_75878078	371.45	XMUCPFVZGQPDSI-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-095074
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1Oc2c(C1)cccc2)C(=O)OC	PC-id_52598443	371.45	XMUCPFVZGQPDSI-HNNXBMFYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-095075
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1Oc2c(C1)cccc2)C(=O)OC	PC-id_52598444	371.45	XMUCPFVZGQPDSI-OAHLLOKOSA-N	00000010100000100100000000001010000000000000000000000000	31-01-095076
s1c2CCCCCCc2cc1C(=O)Nc1c(cc2OCOc2c1)C(=O)C	PC-id_52430281	371.45	WEYICSKOWSLSES-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095077
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)c1ccccc1	PC-id_7618447	371.45	CISFACBXEIOZTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095078
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)CC=Cc1ccc(cc1)F	PC-id_77920894,MCULE-7495708099	371.452	IEFCVEWKXIWPKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095079
Cc1ccc(cc1F)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	ZINC22_96259584,PC-id_97519666,EMOLS-id_44370716	371.452	LCECNRCJVLWCNZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095080
CCC(c1nnc2n1CCCCC2)NC1CCN(C1=O)c1ccccc1F	EMOLS-id_318220833	371.452	NSPPGCZNDFZFRX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-095081
C/C=C(C)/CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1	PC-id_42356521,EMOLS-id_44852429,ZINC22_12021715	371.452	HOEPEEYTKCCCJP-CRKCGEKBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095082
C/C=C(C)/CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1	ZINC22_14987581,CoCoCo_1368747,PC-id_26342131,CoCoCo_1368749,EMOLS-id_44852855	371.452	RUMDKCVAIUERQQ-CRKCGEKBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095083
C/C=C(CN1CCc2n(CC1)c(nn2)CNC(=O)Cc1cccc(c1)F)/C	CoCoCo_1368746,CoCoCo_1368748	371.452	RUMDKCVAIUERQQ-CQPUUCJISA-N	00000000100000110101000000000010000000000000000000000000	31-01-095084
CC(=CCN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1)C	MCULE-3735188613,CoCoCo_1433137,ZINC22_14954659,CoCoCo_1433136,EMOLS-id_232753955,PC-id_26318430	371.452	AHBCHUDNGNTERP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095085
CN(C)C(=O)NCc1cc2CN(C/C=C/c3ccc(F)cc3)CCCn2n1	EMOLS-id_44861280,ZINC22_82172156,PC-id_70788935	371.452	IEFCVEWKXIWPKE-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095086
Fc1ccccc1CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1	EMOLS-id_20439243,CoCoCo_1185617,ChEMBL-DNDi_CHEMBL17298339,CoCoCo_1185616,MCULE-1054996996,PC-id_28393270,ZINC22_19839380	371.452	WJBYTKHOECKGCL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-095087
Fc1ccccc1C(=O)N1CCCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_100868470	371.452	VGJFSGPDPHLZJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095088
Fc1ccc(cc1)C(=O)NC1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_100827527	371.452	NSZOYTWZQOUSFE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095089
Fc1cccc(c1)N1CCCC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101719071	371.452	RSKBQSRKBDUNEO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095090
Fc1ccccc1N1CCN(CC1)C(=O)CCc1cc2CNCCCn2n1	MCULE-4523237128,ZINC22_72454794,PC-id_70759320,EMOLS-id_43145982	371.452	SZQVNXLEFUZAOL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095091
Fc1cccc(CC(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)c1	EMOLS-id_313731800,ZINC22_1565546605	371.452	HVUPCSIYFNZCLJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095092
Fc1cccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c1	ZINC22_14878810,CoCoCo_1190145,MCULE-8951615704,EMOLS-id_20442565,PC-id_26274560,CoCoCo_1190146	371.452	VUQASUMYJSOYRV-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-095093
Fc1ccc(CC(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)cc1	PC-id_97405560,ZINC22_96084737,EMOLS-id_46182501	371.452	NJCDJJLWFJNPMW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095094
Fc1ccc(CC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_51317226	371.452	PDLFHEVMOFOUHR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095095
Fc1ccc(CN(C2CC2)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_52651124	371.452	JDVGAGUYIAEJNT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-095096
Fc1cc(CC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1	PC-id_46691788	371.452	JIUREMKSYIJCQW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095097
Fc1cc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1C	PC-id_51308087	371.452	FOBOLWGEQLUAFO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095098
Fc1c(CC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cccc1	PC-id_51317233	371.452	WDWOLVMHDZDIDV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095099
n12CCN(CCc1nnc2CCNC(=O)c1ccc(cc1)F)CC(=CC)C	MCULE-7658212200,PC-id_72083822	371.452	HOEPEEYTKCCCJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095100
n12CCN(CCc1nnc2CNC(=O)Cc1cccc(F)c1)CC(=CC)C	MCULE-6726186883,PC-id_74498522	371.452	RUMDKCVAIUERQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095101
O=C(N1CCCc2c(C1)cnn2C)NC1CCCN(C1)c1ccccc1F	EMOLS-id_101729004	371.452	TZXHXZQYHMPKBD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095102
S1C(=Cc2c(cn(c2)C)C=C1C(=O)c1ccccc1)C(=O)c1ccccc1	PC-id_13211063	371.452	LDTHHXXTMQEWMS-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-095103
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)C1Cc2c(cccc2)S1	MCULE-9957734642,EMOLS-id_46027893,PC-id_72841522	371.453	QVSKKKGJCQWTPO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095104
c12C(=O)NCCCc1nc(NC(=O)C1(CCOCC1)c1ccccc1)s2	MCULE-4349155872,EMOLS-id_50139231,PC-id_72719993,ZINC22_211130027	371.453	DHYVHCFGHUPDAD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095105
c1(sc2c(CCCCC2)n1)NC(=O)c1cc2c(cc(c(OC)c2)OC)[nH]1	EMOLS-id_323271820,MCULE-5197696884	371.453	QZTUSHIWSZCUAD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-095106
c1(sc2c(CCCCC2)n1)NC(=O)c1cc2c(c(OC)ccc2OC)[nH]1	EMOLS-id_323230622,MCULE-2743871928	371.453	IYVVAQSYWTUJMA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-095107
C=CC(=O)Nc1ccc(O)c(C(=O)Nc2nc3c(s2)CCCCCC3)c1	ZINC22_1136392837	371.453	VTEHCWYNOGZNOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095108
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)C2CC2)c1	ZINC22_1142675875,EMOLS-id_313791549	371.453	CQCSHWDAAZWUJU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-095109
O=C(c1nc2c(s1)CCN(CC2)C(=O)c1ccccc1)N1CCOCC1	PC-id_97524709	371.453	FEPMJAQFPUAORL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095110
O=C(N1CCC2(C1)Oc1c(O2)cccc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_99321847	371.453	BLSCUIFKVFKDKN-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-095111
O=C(O)CCc1cc2n(n1)CCCN(C(=O)[C@H]1Cc3ccccc3S1)C2	ZINC22_91656526,PC-id_97132431	371.453	QVSKKKGJCQWTPO-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095112
O=C(O)CCc1cc2n(n1)CCCN(C(=O)[C@@H]1Cc3ccccc3S1)C2	ZINC22_91656527,PC-id_97132432	371.453	QVSKKKGJCQWTPO-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095113
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)C)cc1	PC-id_26778430	371.453	BKLRNPKEGYJRMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095114
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1ccccc1	PC-id_24554102	371.453	SQUOHSCIFLXDFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095115
s1c2c(CCCCC2)c(c1NC(=O)c1cc(NC(=O)C)ccc1)C(=O)N	PC-id_60387928	371.453	DYLCKIHROYDJQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095116
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1n(ccc1)C)C)C#N	PC-id_8740810	371.453	GXHMDKMIQUUHRN-LBPRGKRZSA-N	00000000110000000100000000000010000000000000000000000000	31-01-095117
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1n(ccc1)C)C)C#N	PC-id_8740811	371.453	GXHMDKMIQUUHRN-GFCCVEGCSA-N	00000000110000000100000000000010000000000000000000000000	31-01-095118
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1n(ccc1)C)C)C#N	PC-id_84827040	371.453	GXHMDKMIQUUHRN-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-095119
s1c2CCCCCCc2cc1C(=O)Nc1cc(C2NC(=O)ON2)ccc1	PC-id_76358048	371.453	WTNPPSQYLGBJNL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-095120
Brc1cc(C(Cl)c2sc3c(CCCCC3)c2)ccc1F	PC-id_79743125	373.711	GSIGUTWWZMUVFM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097307
s1c2CCCCCCc2nc1NC(=O)CCn1c2c(oc1=O)cccc2	PC-id_56020826	371.453	ILPDHUVNPWGSOI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095121
s1c2CCCCCCc2nc1NC(=O)C(n1c2c(oc1=O)cccc2)C	PC-id_56022234	371.453	DFAZXIXPQOWVSP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095122
S(c1n2CCCCCc2nn1)Cc1c2c(oc1C(=O)OCC)cccc2	PC-id_7876929	371.453	PJPYETUBXNDBAI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095123
c1(cn2c(CCNCC2)n1)C(=O)N1C[C@H]([C@H](CS(=O)(=O)N(C)C)C1)O	ZINC22_1857718641,EMOLS-id_330446088,MCULE-2071669277	371.455	YKHRJFGKCOSUFA-WCQYABFASA-N	00000010100000000101000000000010000000000000000000000000	31-01-095124
c1(C(=O)N2C[C@@H]([C@H](CS(=O)(=O)N(C)C)C2)O)nnc2CCCCCn12	EMOLS-id_317390326,ZINC22_1704353997,MCULE-3644610797,PC-id_135099457	371.455	QTBBMYFCJGDMTR-RYUDHWBXSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095125
c1(C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)nnc2CCCCCn12	PC-id_135103577,EMOLS-id_317337676,ZINC22_1704298101,MCULE-3267093008	371.455	FPUBKPWCERNWDU-RYUDHWBXSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095126
CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)c1cn2CCNCCc2n1	EMOLS-id_336492977,ZINC22_1940195382	371.455	PUVFWLNELIBWNO-WCQYABFASA-N	00000010100000000101000000000010000000000000000000000000	31-01-095127
Fc1ccc(cc1)N1CCN(CC1)C(=NCc1nnc2n1CCCCC2)N	PC-id_111031960	371.455	DRVXJXRZGPBIAQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095128
S(=O)(=O)(NC1CCCN(C1)C(=O)Cn1nc2n(CCCCC2)c1=O)C	PC-id_55679368	371.455	ZKXMQKQVLGCULE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095129
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(c2cc[nH]n2)s1	EMOLS-id_43166154,MCULE-4704349507,ZINC22_72475895,PC-id_56912246	371.457	XWWHPBAWYSLEPW-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-095130
c1(cnn(C)c1C)c1onc(C(=O)Nc2sc3c(CCCCCC3)n2)c1	SYN-20014965,PC-id_46969915,CoCoCo_494017,MCULE-3027619670,EMOLS-id_30436441,ZINC22_19554175	371.457	YNDNHNGTQVCVAH-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-095131
c1(C(O)C2CC2)cc2n(CCCN(C(=O)Cc3cn4c(scc4)n3)C2)n1	MCULE-5472111051,EMOLS-id_55633688,PC-id_91770910	371.457	PRONAOGIKSNUBR-UHFFFAOYSA-N	00100000100000000101000100000010000000000000000000000000	31-01-095132
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)c3ccc(C)s3)C2)n1	EMOLS-id_55636524,PC-id_91771929,MCULE-8991412843	371.457	ZLRUJTDIJMHCGW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095133
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)Cc3cccs3)C2)n1	PC-id_91773969,MCULE-5629718900,EMOLS-id_55642280	371.457	GEYSUSABQNVQPZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095134
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)Cc3ccsc3)C2)n1	EMOLS-id_55669975,PC-id_91783511,MCULE-8857702772	371.457	UKWSHGDPSWCMSL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095135
c1(csc2nc(C)cn12)C(=O)N1CCCn2c(cc(n2)C(O)C2CC2)C1	EMOLS-id_55710520,MCULE-5015523600,PC-id_91797343	371.457	MFEMRLPMAYDMJZ-UHFFFAOYSA-N	00100000100000000101000100000010000000000000000000000000	31-01-095136
c1([nH]nc(c2ccc(C)s2)c1)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	EMOLS-id_50550479,PC-id_90654028,MCULE-1095677498	371.457	OJTVRUIZRVHTJP-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-095137
c1([nH]nc(c2ccsc2)c1)C(=O)N1CCCn2c(cc(n2)C(CC)O)C1	PC-id_91782620,MCULE-7605884638,EMOLS-id_55667443	371.457	ULXSEWUODMLHPW-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-095138
Cc1ccc(c2cc(C(=O)N3CCCn4nc([C@@H](C)O)cc4C3)n[nH]2)s1	PC-id_100068172,ZINC22_221452953	371.457	OJTVRUIZRVHTJP-GFCCVEGCSA-N	00000000100100000101100000000010000000000000000000000000	31-01-095139
Cc1ccc(c2cc(C(=O)N3CCCn4nc([C@H](C)O)cc4C3)n[nH]2)s1	ZINC22_221453013,PC-id_100068173	371.457	OJTVRUIZRVHTJP-LBPRGKRZSA-N	00000000100100000101100000000010000000000000000000000000	31-01-095140
Cc1ccc(c2nc(CC(=O)NCc3nnc4n3CCCCC4)cs2)o1	EMOLS-id_30021875,ZINC22_40073771,MCULE-1380802977,CoCoCo_4820917,PC-id_45878159	371.457	MVSCDFJZHOUDSO-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-095141
Cc1ccc(c2nc(C(=O)N(C)Cc3nnc4n3CCCCC4)cs2)o1	ZINC22_58086281,EMOLS-id_31933352,MCULE-1985945099,PC-id_47030825	371.457	KWDSEILHSQAYPY-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-095142
Cc1ccc(C(=O)N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)s1	PC-id_100044025,ZINC22_219590113	371.457	ZLRUJTDIJMHCGW-QGZVFWFLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095143
Cc1ccc(C(=O)N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)s1	ZINC22_219590191,PC-id_100044027	371.457	ZLRUJTDIJMHCGW-KRWDZBQOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095144
Cc1cn2c(C(=O)N3CCCn4nc([C@@H](O)C5CC5)cc4C3)csc2n1	PC-id_100323560,ZINC22_223863993	371.457	MFEMRLPMAYDMJZ-INIZCTEOSA-N	00100000100000000101000100000010000000000000000000000000	31-01-095145
Cc1cn2c(C(=O)N3CCCn4nc([C@H](O)C5CC5)cc4C3)csc2n1	ZINC22_223864041,PC-id_100323570	371.457	MFEMRLPMAYDMJZ-MRXNPFEDSA-N	00100000100000000101000100000010000000000000000000000000	31-01-095146
Cc1cnc(cn1)C(=O)N1CCc2nc(sc2CC1)C(=O)N1CCCC1	ZINC22_96264805,EMOLS-id_44379444,PC-id_97524737	371.457	DHBUNYLKKQMZMP-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-095147
Cc1nc(sc1C(=O)N1CCCc2c(C1)cnn2C)c1c(C)noc1C	EMOLS-id_101678384	371.457	GVGDZDRAXNAVFL-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-095148
CCC1=CNc2c(C(=N)C1)[nH]c(n2)Sc1cc2c(cc1N(C)C)OCO2	PC-id_137098481	371.457	FPMBEGMUGBYQQX-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-095149
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(c3ccsc3)n[nH]1)C2	ZINC22_222354873,PC-id_100091106	371.457	ULXSEWUODMLHPW-QGZVFWFLSA-N	00000000100100000101100000000010000000000000000000000000	31-01-095150
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(c3ccsc3)n[nH]1)C2	ZINC22_222354929,PC-id_100091108	371.457	ULXSEWUODMLHPW-KRWDZBQOSA-N	00000000100100000101100000000010000000000000000000000000	31-01-095151
Cn1c(=O)n2CCN(CCc2n1)C(=O)CCCc1nc2ccccc2s1	PC-id_91922407	371.457	LWKSIRPWGBWBNH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095152
Cn1ncc(c1)c1nc(c(o1)C)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100970746	371.457	FGVUESWQDMLAEA-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-095153
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cccs1)C2	PC-id_100048840,ZINC22_219862515	371.457	GEYSUSABQNVQPZ-GOSISDBHSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095154
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cccs1)C2	ZINC22_219862471,PC-id_100048838	371.457	GEYSUSABQNVQPZ-SFHVURJKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095155
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1ccsc1)C2	PC-id_100096731,ZINC22_222441870	371.457	UKWSHGDPSWCMSL-SFHVURJKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095156
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1ccsc1)C2	PC-id_100096735,ZINC22_222441923	371.457	UKWSHGDPSWCMSL-GOSISDBHSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095157
C[NH+](Cc1cccc(c1)NC(=O)C(=O)NCc1nnc2n1CCCCC2)C	GD-id_ZINC48996105	371.457	SOFHMHLVAXMXST-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-095158
COc1cc2nc(sc2cc1NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101944758	371.457	KAIPLLIJFQRJKU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095159
COc1ccc(c2nnc([C@H](C)Sc3nnc4n3CCCCC4)o2)cc1	PC-id_41319912,ZINC22_10021667,CoCoCo_4054355	371.457	ZQCROEKAHHZKEY-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095160
COc1ccc(c2nnc([C@@H](C)Sc3nnc4n3CCCCC4)o2)cc1	PC-id_41319914,CoCoCo_4054356,ZINC22_10021675	371.457	ZQCROEKAHHZKEY-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095161
COc1ccc(cc1)c1nnc(o1)C(Sc1nnc2n1CCCCC2)C	EMOLS-id_11837946,MCULE-7591329412,PC-id_16378598	371.457	ZQCROEKAHHZKEY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095162
COc1nnc(s1)CN1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_99984976	371.457	CFEHZCXKAUZRHI-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095163
COc1nnc(s1)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_99984980	371.457	CFEHZCXKAUZRHI-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095164
COc1nnc(s1)CN1CCCn2c(cc(n2)C(c2ccccc2)O)C1	PC-id_91787482	371.457	CFEHZCXKAUZRHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095165
COCCNC(=O)C1=NC(=NCC2=CC=CN=CC2)Nc2c(C1)scc2	PC-id_143779428	371.457	KMROPSQHDFERCO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-095166
O=C(c1ccncn1)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1	ZINC22_96147002,EMOLS-id_44303972,PC-id_97442526	371.457	OETFSFVSPSZLMI-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-095167
O=C(Cc1cn2ccsc2n1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	PC-id_100041168,ZINC22_219446464	371.457	PRONAOGIKSNUBR-KRWDZBQOSA-N	00100000100000000101000100000010000000000000000000000000	31-01-095168
O=C(Cc1cn2ccsc2n1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_219446542,PC-id_100041170	371.457	PRONAOGIKSNUBR-QGZVFWFLSA-N	00100000100000000101000100000010000000000000000000000000	31-01-095169
O=C(/C=C/c1cccs1)N1CCCn2nnc(C(=O)NC3CCC3)c2C1	EMOLS-id_313849389,ZINC22_2055844881	371.457	AMFNDCKEZQRRBR-BQYQJAHWSA-N	00001000100100000101000000000010000000000000000000000000	31-01-095170
O=C(Nc1ccncc1)c1nc2CCN(CCc2s1)C(=O)N1CCCC1	ZINC22_2055793236,EMOLS-id_313793594	371.457	CXWKAMOYNGFIRC-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-095171
s1c2c(nc1NC(=O)Cn1nc3n(CCCCC3)c1=O)c(cc(c2)C)C	PC-id_36423067	371.457	UGZAARGAJQXADD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095172
s1cc(nc1c1occc1)CC(=O)NCCc1n2CCCCCc2nn1	PC-id_55548044	371.457	KIXLVVOHKWAKTR-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-095173
S(Cc1n2CCCCCc2nn1)c1n(c2c(n1)cccc2)C(=O)OCC	PC-id_24016636	371.457	RJBDMCYOJKYIOY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095174
c12CN(CCCn1nc(CNc1ncnc3ccsc13)c2)C(=O)N(C)C	EMOLS-id_44445047,MCULE-7520548788,ZINC22_82137371,PC-id_70766407	371.46	BCASXXKXRIUPTM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095175
c12CN(CCCn1nc(CNc1ncnc3sccc13)c2)C(=O)N(C)C	ZINC22_82091792,PC-id_70711582,MCULE-5232805175,EMOLS-id_44425907	371.46	QAVZHKUJGFWOCK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095176
c12c(N(C)C)ncnc1n(cn2)CC(=O)Nc1sc2c(CCCCC2)n1	MCULE-5701197635,EMOLS-id_323453890	371.46	ZKFAABROTHKDQM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095177
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C#Cc1ccc(cc1)N(C)C	PC-id_102233618	371.471	PGHDICSYVSDFQK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-095197
c1(C(=O)NC(C)c2nnc3CCNCCn23)cc(nn1C)c1cccs1	MCULE-4592116416,PC-id_56704989,EMOLS-id_36429384	371.46	JNJMSVVTONNJQX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-095178
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1c1ncn[nH]1	PC-id_9166316,MCULE-7141961103,CoCoCo_3081453,EMOLS-id_3660041,ZINC22_8036492	371.46	ZZEURLCBMPSABJ-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-095179
Cc1nnc(n1C1CC1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135707438	371.46	QNDFHPZSACNLHP-YPKPFQOOSA-N	00100000100000000101100000000010000000000000000000000000	31-01-095180
C[C@H](NC(=O)c1cc(c2cccs2)nn1C)c1nnc2n1CCNCC2	PC-id_95198896,ZINC22_67672953	371.46	JNJMSVVTONNJQX-NSHDSACASA-N	00000000100100000101100000000010000000000000000000000000	31-01-095181
C[C@@H](NC(=O)c1cc(c2cccs2)nn1C)c1nnc2n1CCNCC2	PC-id_95198897,ZINC22_67672954	371.46	JNJMSVVTONNJQX-LLVKDONJSA-N	00000000100100000101100000000010000000000000000000000000	31-01-095182
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Cn1cc(CN2Cc3ccnn3C[C@@H](CNC(=O)c3cscn3)C2)cn1	ZINC22_306131175	371.46	JYDXJXPJOWPDDC-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095184
Cn1c(nnc1SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O)C1CC1	PC-id_135713920	371.46	MFIZUTRIMMXQNQ-SEYXRHQNSA-N	00100000100000000101100000000010000000000000000000000000	31-01-095185
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O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)c1[nH]ncn1)C	CoCoCo_3081455,CoCoCo_3081456	371.46	CRCZEOXGVBYXPI-NTEUORMPSA-N	00000000110000000101100000000010000000000000000000000000	31-01-095187
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)c1[nH]ncn1)C	CoCoCo_3081457,CoCoCo_3081454	371.46	CRCZEOXGVBYXPI-ZROIWOOFSA-N	00000000110000000101100000000010000000000000000000000000	31-01-095188
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S(c1n(C2CC2)c(nn1)C)CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N	PC-id_8959664	371.46	GDFBHJNLHPIUFU-SSZFMOIBSA-N	00100011100000000111100000000010000000000000000000000000	31-01-095190
S(c1n(c(nn1)C1CC1)C)CC(=O)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78655327	371.46	BXUBBAFDRGPRPJ-UHFFFAOYSA-N	00100011100000000111100000000010000000000000000000000000	31-01-095191
S(c1n(c(nn1)C1CC1)C)CC(=O)/C(=C
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CCCC(OC(=O)CC1CCCCc2c(C1(F)F)nnn2C)(CCC)C	PC-id_139320989,SCHEMBL21167148	371.465	LGLVCECBWBRQSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095193
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s1c2CCCCCc2c(c1NC(=O)CNC(c1ccc(F)cc1)C)C#N	PC-id_4828294	371.472	OUWGSLZPKSIOIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095207
s1c2CCCCCc2c(c1NC(=O)CN(Cc1c(F)cccc1)C)C#N	PC-id_4818799	371.472	MQFKUUXVWOBVLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095208
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c1(C(O)C2CC2)cc2n(CCCN(Cc3ccc(c(COC)c3)OC)C2)n1	EMOLS-id_50545697,PC-id_90652746,MCULE-8935359880	371.473	BLEKHPMLSFNOFV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-095212
c1(C(O)C2CCC2)cc2n(CCCN(Cc3ccc(cc3OC)OC)C2)n1	MCULE-6991869110,EMOLS-id_50526463,PC-id_90647521	371.473	QBQASYHXFKXXNL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-095213
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CCCCNC(=O)ONC(=O)Cc1ccc2-c(cc1)c(c(c2CC)N)CC	PC-id_141009976	371.473	RNWTUURITJTKSJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095216
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CN(C)C(=O)CO[C@@H]1CN(CCOCc2ccccc2)Cc2cccn2C1	ZINC22_248056849	371.473	YKPJUQVZJJNBLE-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095218
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COCCNC(=O)CC1CN(Cc2cccc(OC)c2)Cc2cccn2C1	EMOLS-id_313814050	371.473	GISZVLQAFFISDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095225
COCCNC(=O)CC1CN(Cc2ccc(OC)cc2)Cc2cccn2C1	EMOLS-id_313810979	371.473	QTRVBKMIOWBFTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095226
COCCNC(=O)C[C@H]1CN(Cc2ccccc2OC)Cc2cccn2C1	ZINC22_585099083	371.473	JHMHLHTURUGVRV-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095227
COCCNC(=O)C[C@@H]1CN(Cc2ccccc2OC)Cc2cccn2C1	ZINC22_585099084	371.473	JHMHLHTURUGVRV-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095228
COCCNC(=O)C[C@@H]1CN(Cc2cccc(OC)c2)Cc2cccn2C1	ZINC22_585099045	371.473	GISZVLQAFFISDF-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095229
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COCCNC(=O)C[C@@H]1CN(Cc2ccc(OC)cc2)Cc2cccn2C1	ZINC22_585099157	371.473	QTRVBKMIOWBFTP-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095231
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n1n2CCCN(Cc3ccc(cc3)OC3CCCC3)Cc2cc1C(CO)O	MCULE-4479559869,EMOLS-id_50547219,PC-id_90653151	371.473	CYXGWTJOJSOLFL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095233
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OC(=O)CCCC(=C)C1=Nc2ccsc2C(=CC1)C(=O)c1cccs1	PC-id_142037242	371.473	LSUKUJNQSXJPFU-UHFFFAOYSA-N	00000000100100000110000000000010000000000000000000000000	31-01-095237
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c1(NC(=O)c2ccc3c(scn3)c2)sc2c(CCCCC2)c1C(=O)N	PC-id_4161613,ZINC22_6495555,CoCoCo_4981373,EMOLS-id_16820184,MCULE-4289031172	371.476	PAZVAHRXAKSPQQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095243
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c12CN(CCC)CCCn1nc(CNC(=O)CCn1c(C)cccc1=O)c2	MCULE-9040196500,PC-id_70728530,EMOLS-id_44431827,ZINC22_82106346	371.477	DSEUYPDZMZMOND-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095245
c12CN(CCC)CCCn1nc(CNC(=O)Nc1ccc(cc1)OCC)c2	PC-id_70747268,ZINC22_82120241,MCULE-2758466833,EMOLS-id_44438473	371.477	HQMLJZJFIHVGBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095246
c12CN(CCCn1nc(CCC(=O)NC(C)C)c2)Cc1cc(OC)ccn1	MCULE-4169426107,EMOLS-id_44432461,PC-id_70730203,ZINC22_82106850	371.477	AIIBUIJEKPQZNY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095247
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c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(cc1C)OC	MCULE-3873502055,ZINC22_82108977,EMOLS-id_44435169,PC-id_70737955	371.477	HXNPOWSYWWVMMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095252
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(cc1OC)C	MCULE-2381236484,PC-id_70735502,ZINC22_82108295,EMOLS-id_44434321	371.477	ASWFWPXHXPQQAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095253
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccccc1OCC	MCULE-8795617445,PC-id_70768289,ZINC22_82138304,EMOLS-id_44445741	371.477	BCYHGZJYDKUTNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095254
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(c(C)c1)OC	PC-id_70788780,EMOLS-id_44452831,MCULE-3487793773,ZINC22_82172045	371.477	DHGACRDWUTUMSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095255
O=C(NCCc1n2CCCCCc2nn1)N(Cc1ccc(OCC)cc1)C	PC-id_52220591	371.477	KLDZMBKGAYIBQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095351
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cccc(OCC)c1	ZINC22_82097127,PC-id_70718791,EMOLS-id_44428393,MCULE-6620366323	371.477	RDVBZXWKAIMJGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095256
c1(C2CCCN2C(=O)CCc2cc3n(CCCNC3)n2)cc(on1)C(C)C	PC-id_70739117,MCULE-4238913843,EMOLS-id_43116987	371.477	LFXZHTMBKGJOTH-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-095257
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3ccccc3)CCn12	EMOLS-id_20482133,MCULE-2015421779,PC-id_45189443	371.477	WRHPMHDPGXSGBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095258
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccccc3OC)CCn12	PC-id_45211711,EMOLS-id_20579279,MCULE-8557838004	371.477	DJBUHGVQRHANTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095259
c1(CN2CCCC2)c(CC)oc(C(=O)NCc2cc3n(CCCNC3)n2)c1	ZINC22_96162406,MCULE-5994146253,PC-id_72913948,EMOLS-id_49169444	371.477	KYFNXSUVURCONN-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-095260
c1(C(=O)NCc2cc3n(CCCN(CCC)C3)n2)ccc([nH]c1=O)C(C)C	MCULE-9420926405,PC-id_70706935,EMOLS-id_44424221,ZINC22_82086926	371.477	OTIITGTUSDSGAR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095261
c1(C(=O)NCc2cc3n(CCCN(CC(C)C)C3)n2)c(C)cc([nH]c1=O)C	PC-id_70711343,MCULE-8645447678,EMOLS-id_44425813,ZINC22_82091681	371.477	KAZJYMWXNKKGFQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095262
c1(C(=O)NCc2cc3n(CCCN(CC(C)C)C3)n2)onc2CCCCc12	MCULE-4688418487,EMOLS-id_82617819,ZINC22_426378220,PC-id_122131101	371.477	QOAFLODIZTZWRE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-095263
Cc1cc(CN2Cc3cccn3C[C@@H](OCC(=O)N3CCCC3)C2)n(C)n1	ZINC22_248059914	371.477	UFQVOVOJSGGPDI-IBGZPJMESA-N	00000010100000000101000000000010000000000000000000000000	31-01-095264
Cc1cc(CN2Cc3cccn3C[C@H](OCC(=O)N3CCCC3)C2)n(C)n1	ZINC22_248059923	371.477	UFQVOVOJSGGPDI-LJQANCHMSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095265
Cc1cc(CN2CC(Cn3cccc3C2)OCC(=O)N2CCCC2)n(C)n1	EMOLS-id_50374851	371.477	UFQVOVOJSGGPDI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095266
Cc1ccc(OC[C@@H](C)NC(=O)NCCc2nnc3n2CCCCC3)cc1	PC-id_52520914,ZINC22_58291681	371.477	JFWYRJITRODPSV-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095267
Cc1ccc(OC[C@H](C)NC(=O)NCCc2nnc3n2CCCCC3)cc1	PC-id_52520915,ZINC22_58291685	371.477	JFWYRJITRODPSV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095268
Cc1c(c(nn1C(C)CC(=O)NCc1n[nH]c2c1CCCCC2)C)C(=O)C	PC-id_135089036	371.477	ANIFTCGJPHVOKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095269
Cc1n(C)n(c(=O)c1NC(=O)c1cnc2n1CCCCC2)C1CCCCC1	EMOLS-id_316736257	371.477	RPXWIPHHVJAOKF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-095270
CCc1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)o1	ChEMBL-DNDi_CHEMBL23440636,CoCoCo_1237794,ZINC22_20452468,MCULE-8595608471,EMOLS-id_20476599,CoCoCo_1237793,PC-id_28955656	371.477	ADYOSUNXDZAJNV-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-095271
CC(C)c1cc([C@@H]2CCCN2C(=O)CCc2cc3n(n2)CCCNC3)no1	PC-id_95871183,ZINC22_72427791	371.477	LFXZHTMBKGJOTH-SFHVURJKSA-N	00000010100000000101100000000010000000000000000000000000	31-01-095272
CC(C)c1cc([C@H]2CCCN2C(=O)CCc2cc3n(n2)CCCNC3)no1	ZINC22_72427792,PC-id_95871184	371.477	LFXZHTMBKGJOTH-GOSISDBHSA-N	00000010100000000101100000000010000000000000000000000000	31-01-095273
CCCCn1ccnc1C1CCN(CC1)C(=O)[C@@H]1CCCCn2c1nnn2	PC-id_97268458	371.48	NKWNEVYWJHYMEP-MRXNPFEDSA-N	00000000100010000101100000000010000000000000000000000000	31-01-095371
CCC(c1nnc2n1CCCCC2)NC(=O)c1noc2c1CC(C)(C)CC2	EMOLS-id_319930128,MCULE-8486238195	371.477	HWZLZHOJXBMSBI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-095274
CC(CC(c1nnc2n1CCN(CC2)Cc1ccccc1O)NC(=O)C)C	ChEMBL-DNDi_CHEMBL21668952	371.477	ZNSWJLSDFKZEKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095275
CC(CC(c1nnc2n1CCN(CC2)C/C=C/c1ccco1)NC(=O)C)C	ChEMBL-DNDi_CHEMBL54973130	371.477	NLMWKOCOULAKSE-GQCTYLIASA-N	00000000101000000101000000000010000000000000000000000000	31-01-095276
CCC(C)CN1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1	EMOLS-id_20689701,PC-id_45238003,MCULE-9259502286	371.477	CMBYFFNWRBFGOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095277
CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)C1(C#N)CCCC1)CCC2	EMOLS-id_313787961,ZINC22_1565553739	371.477	CZMKTZHMQXIBRV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095278
CC(C)CCNC(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	EMOLS-id_207877272,MCULE-4957899085	371.477	BEPCAHIFFZRGGL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095279
CCC(C)(C)NC(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	MCULE-9327881181,EMOLS-id_207877197	371.477	KSYBLAFWKXRWBC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095280
CC(C)CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1	PC-id_42500915,ZINC22_12281505,EMOLS-id_232741370,CoCoCo_1359701,CoCoCo_1359700,MCULE-6917003305	371.477	HQQHLNGGHKTQFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095281
CC[C@H](C)CN1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1	CoCoCo_1554648,ZINC22_12512520,CoCoCo_1554650	371.477	CMBYFFNWRBFGOB-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095282
CC[C@@H](C)CN1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1	ZINC22_12512512,CoCoCo_1554649,CoCoCo_1554651	371.477	CMBYFFNWRBFGOB-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095283
CC[C@H](C(=O)NCc1nnc2n1CCN(CC2)Cc1cccc(c1)OC)C	CoCoCo_1363222,CoCoCo_1363224	371.477	ZTGNKYACJXPZAA-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095284
CC[C@@H](C(=O)NCc1nnc2n1CCN(CC2)Cc1cccc(c1)OC)C	CoCoCo_1363223,CoCoCo_1363221	371.477	ZTGNKYACJXPZAA-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095285
CCCN1CCCn2c(C1)cc(n2)CNC(=O)[C@H](Cc1ccc(cc1)O)N	PC-id_70735857,MCULE-2876703601	371.477	HIOTYLULSPKRFU-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-095286
CC(C)n1cc(CN2Cc3cccn3C[C@@H](CC(=O)N3CCCO3)C2)cn1	ZINC22_585099059	371.477	HCINGSZFGUXFLH-KRWDZBQOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095287
CC(C)n1cc(CN2Cc3cccn3C[C@H](CC(=O)N3CCCO3)C2)cn1	ZINC22_585099060	371.477	HCINGSZFGUXFLH-QGZVFWFLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095288
CC(Cn1nc2n(c1=O)C(CCCC2)C(=O)N(CCc1ccccn1)C)C	PC-id_146074257,EMOLS-id_207869382	371.477	PFBZMHFQPLBKOG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095289
CCC(=O)NC(c1nnc2n1CCN(CC2)Cc1ccccc1O)C(C)C	PC-id_56854671,ChEMBL-DNDi_CHEMBL34141754	371.477	NZAPAXDNJNFNPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095290
C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1Cc2cnn(C)c2CC(C)(C)C1	EMOLS-id_324072999,MCULE-8643157808,ZINC22_1875314708,PC-id_146093577	371.477	NIEIFWLVLGIYAH-OLZOCXBDSA-N	00000000100010000101000000010010000000000000000000000000	31-01-095291
C[C@@H]1O[C@H](C)Cc2c(C(=O)N3Cc4cnn(C)c4CC(C)(C)C3)nn(C)c12	EMOLS-id_323952349,MCULE-2739715409,ZINC22_1857528221,PC-id_146110987	371.477	UAARJZXUSCRDBG-OLZOCXBDSA-N	00000000100010000101000000010010000000000000000000000000	31-01-095292
C[C@H](c1ccc(C(=O)NCc2cc3n(n2)CCCNC3)o1)N1CCCCC1	PC-id_96578643,ZINC22_82134877	371.477	JCNLEGBNNGFWTH-OAHLLOKOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-095293
C[C@@H](c1ccc(C(=O)NCc2cc3n(n2)CCCNC3)o1)N1CCCCC1	ZINC22_82134875,PC-id_96578642	371.477	JCNLEGBNNGFWTH-HNNXBMFYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-095294
CC(N1CCCCC1)c1ccc(o1)C(=O)NCc1cc2CNCCCn2n1	PC-id_70762798,EMOLS-id_44443789,MCULE-9978851148	371.477	JCNLEGBNNGFWTH-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-095295
CCn1cc(CN2Cc3cccn3C[C@@H](OCC(=O)N3CCCC3)C2)cn1	ZINC22_249694010	371.477	OQPJQKGTSVIMRE-IBGZPJMESA-N	00000010100000000101000000000010000000000000000000000000	31-01-095296
CCn1cc(CN2Cc3cccn3C[C@H](OCC(=O)N3CCCC3)C2)cn1	ZINC22_249694012	371.477	OQPJQKGTSVIMRE-LJQANCHMSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095297
CCn1cc(CN2CC(Cn3cccc3C2)OCC(=O)N2CCCC2)cn1	EMOLS-id_50020188	371.477	OQPJQKGTSVIMRE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095298
CCn1nc(C)cc1C(=O)N1Cc2ccnn2C[C@H](OCC2CCCC2)C1	ZINC22_247860042	371.477	ZPGIPDCMNFUSRE-GOSISDBHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095299
CCn1nc(C)cc1C(=O)N1Cc2ccnn2C[C@@H](OCC2CCCC2)C1	ZINC22_247860045	371.477	ZPGIPDCMNFUSRE-SFHVURJKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095300
CCn1nc(C)cc1C(=O)N1CC(Cn2nccc2C1)OCC1CCCC1	EMOLS-id_50016482	371.477	ZPGIPDCMNFUSRE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095301
CC(NC(=O)NCCc1nnc2n1CCCCC2)COc1ccc(cc1)C	MCULE-2320249824,PC-id_51127032,EMOLS-id_44148321	371.477	JFWYRJITRODPSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095302
Cn1cccc1C(=O)NC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1	ZINC22_248162975	371.477	YLEOYBPTSOYFKB-KRWDZBQOSA-N	00000000110010000101000000000010000000000000000000000000	31-01-095303
Cn1cccc1C(=O)NC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1	ZINC22_248162977	371.477	YLEOYBPTSOYFKB-QGZVFWFLSA-N	00000000110010000101000000000010000000000000000000000000	31-01-095304
CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc2n(c1=O)CCCCC2	MCULE-4330040345,EMOLS-id_13496266,PC-id_17457461,CoCoCo_4479162,ZINC22_10913557,CoCoCo_4479161	371.477	LGPKVDJIMCHHKN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095305
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cccc(N(C)C)c1)C2	PC-id_100044460,ZINC22_219614534	371.477	CHVLXOKZAOADKT-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095306
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cccc(N(C)C)c1)C2	PC-id_100044462,ZINC22_219614609	371.477	CHVLXOKZAOADKT-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-095307
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)c1cccc(c1)N(C)C	EMOLS-id_50532947,PC-id_90649281,MCULE-6472950359	371.477	CHVLXOKZAOADKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095308
COc1ccccc1CN1CCc2nnc(CCNC(=O)C(C)C)n2CC1	PC-id_42463748,MCULE-6820071892,CoCoCo_1188851,ZINC22_12206846,CoCoCo_1188852,EMOLS-id_20441573,ChEMBL-DNDi_CHEMBL17660575	371.477	FFGHYCVBSYFIKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095309
COc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)C(C)C)n2CC1	CoCoCo_1387354,ZINC22_14993018,CoCoCo_1387353	371.477	DJBUHGVQRHANTQ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095310
COc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)C(C)C)n2CC1	ZINC22_14993019,CoCoCo_1387355,CoCoCo_1387356	371.477	DJBUHGVQRHANTQ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095311
COc1cccc(c1)C(=O)N[C@@H](c1nnc2n1CCN(CC2)CC(C)C)C	CoCoCo_1381655,CoCoCo_1381656	371.477	XQKLZAMPUYTCHR-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095312
COc1cccc(c1)C(=O)N[C@H](c1nnc2n1CCN(CC2)CC(C)C)C	CoCoCo_1381657,CoCoCo_1381658	371.477	XQKLZAMPUYTCHR-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095313
COc1ccc(CCCNC(=O)NCCc2nnc3n2CCCCC3)cc1	MCULE-9826098224,PC-id_51122232,EMOLS-id_32060538,ZINC22_56489009	371.477	HNNWRRVJNBFEMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095314
COc1cccc(CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)c1	CoCoCo_1297829,ZINC22_12003404,EMOLS-id_20518375,MCULE-4480567553,PC-id_42347720,ChEMBL-DNDi_CHEMBL31561392,CoCoCo_1297830	371.477	FRKSDFGGGYLOKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095315
COc1cccc(NC(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)c1	EMOLS-id_44370066,PC-id_97519344,ZINC22_96259260	371.477	CPTBUGGHUKUBCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095316
COc1ccc(NC(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)cc1	ZINC22_96259261,PC-id_97519345,EMOLS-id_44370068	371.477	LDDLQFGNWCQIRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095317
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(C)cc3)CCn12	MCULE-4510242981,PC-id_45179951,EMOLS-id_20441099	371.477	AMQVDFKDUACMIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095318
COCCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1ccccc1C)C	CoCoCo_1184064,CoCoCo_1184065,PC-id_28392892	371.477	ITFHKBGBLBKYHN-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095319
COCCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1ccccc1C)C	CoCoCo_1184067,CoCoCo_1184066,PC-id_28392890	371.477	ITFHKBGBLBKYHN-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095320
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1)CC2	CoCoCo_1188178,ZINC22_19839923,CoCoCo_1188177	371.477	AMQVDFKDUACMIB-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095321
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1)CC2	ZINC22_19839925,CoCoCo_1188176,CoCoCo_1188175	371.477	AMQVDFKDUACMIB-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095322
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccccc1)CC2)C(C)C	ZINC22_11872821,CoCoCo_1245844,CoCoCo_1245843	371.477	WRHPMHDPGXSGBD-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-095323
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccccc1)CC2)C(C)C	ZINC22_11872822,CoCoCo_1245841,CoCoCo_1245842	371.477	WRHPMHDPGXSGBD-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095324
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)Cc1ccco1	CoCoCo_1192461,PC-id_26275146,CoCoCo_1192460,ZINC22_14879306,MCULE-3403755057,EMOLS-id_20444381	371.477	MGGLNBUNFQNQIO-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-095325
n1n2CCCN(Cc3cnc(nc3)C3CCCCC3)Cc2cc1C(CO)O	EMOLS-id_50544749,PC-id_90652483,MCULE-7092875560	371.477	NZXMYDFJKKNKQZ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-095326
o1nc(c2CCCCc12)C(=O)NCc1nn2c(CN(CCC2)CC(C)C)c1	PC-id_70709150	371.477	KGUAXERPDDZEEW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-095327
O(c1c(NC(=O)NCCc2n3CCCCCc3nn2)ccc(c1)C)CCC	PC-id_60487285	371.477	LOTWGZIZPJNTPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095328
O=C(c1cccn1CCN1CCOCC1)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_258138907,MCULE-2633579847	371.477	HQIJBZJFQASFPY-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-095329
O=C(C1CCn2c(CC1)nnc2)NCc1ccncc1OCCC(C)(C)C	EMOLS-id_319602867	371.477	SXBPRCVMICGUQD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095330
O=C(c1n[nH]c2c1CCCCC2)Nc1c(=O)n(n(c1C)C)C1CCCCC1	EMOLS-id_319795781	371.477	RJLCTOWGVLRGHN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-095331
O(CC(C)C)c1c(NC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_60488394	371.477	PUYDJBBXWJADRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095332
OC[C@@H](O)c1cc2n(n1)CCCN(Cc1cnc(C3CCCCC3)nc1)C2	PC-id_100066873,ZINC22_221308340	371.477	NZXMYDFJKKNKQZ-LJQANCHMSA-N	00000000100010100101100000000010000000000000000000000000	31-01-095333
OC[C@H](O)c1cc2n(n1)CCCN(Cc1cnc(C3CCCCC3)nc1)C2	PC-id_100066874,ZINC22_221308401	371.477	NZXMYDFJKKNKQZ-IBGZPJMESA-N	00000000100010100101100000000010000000000000000000000000	31-01-095334
O(CCN(C(=O)NCCc1n2CCCCCc2nn1)C)c1ccc(cc1)C	PC-id_52220586	371.477	DCIXEQQQSRQKKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095335
O=C(NC1CC(C)(C)Cc2c1cc(o2)C)NCc1nnc2n1CCCCC2	EMOLS-id_110375717	371.477	UNVFSQGOAJDSGY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-095336
O=C(NC(c1cccc(c1)OC(C)C)C)NCc1nnc2n1CCCCC2	PC-id_87000136	371.477	QUEXBXQCIQAFIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095337
O=C(N(Cc1n2CCCCCc2nn1)c1ccc(OC)cc1)NCCCC	PC-id_7566016	371.477	UVSOJNJCFNVUBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095338
O=C(N(Cc1n2CCCCCc2nn1)c1cc(OC)ccc1)NCCCC	PC-id_7565908	371.477	YFUVCYHDXKQFJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095339
O=C(N(Cc1n2CCCCCc2nn1)c1c(OC)cccc1)NCCCC	PC-id_7565973	371.477	HPKGGFPPNUCEGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095340
O=C(NC(c1n2CCN(CCc2nn1)Cc1c(cccc1)C)C)CCOC	PC-id_45179277	371.477	ITFHKBGBLBKYHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095341
O=C(NCc1n2CCN(CCc2nn1)Cc1cc(OC)ccc1)C(CC)C	PC-id_45207965	371.477	ZTGNKYACJXPZAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095342
O=C(NC(c1n2CCN(CCc2nn1)CC=C(C)C)C(C)C)c1ccoc1	PC-id_45166264	371.477	BJVJQZTXMLTOHN-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-095343
O=C(N(Cc1ncc(c(OC)c1C)C)C)CCc1nn2CCCNCc2c1	PC-id_70732186	371.477	HYZSCKXWSORRRM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095344
O=C(NCc1nn2CCCN(Cc2c1)Cc1cc(CCN)ccc1)COC	PC-id_70783077	371.477	AONRFEFMXUHMPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095345
O=C(NCc1nn2CCCN(Cc2c1)CCC)C1C=CC(=NC1=O)C(C)C	PC-id_77897465	371.477	FURGYWFCQWVALU-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-095346
O=C(NCc1nn2CCCN(Cc2c1)CC(C)C)c1cc(c([nH]c1=O)C)C	PC-id_70752104	371.477	XBPFBYJIBIXTNT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095347
O=C(NCc1nn2CCCN(Cc2c1)CCC)C(N)Cc1ccc(O)cc1	PC-id_77849560	371.477	HIOTYLULSPKRFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095348
O=C(NCc1nn2c(CN(CCC2)CC(C)C)c1)C1C(=CC(=NC1=O)C)C	PC-id_77898791	371.477	IYIQJJUMEIIPST-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-095349
O=C(NCc1nn2c(CN(CCC2)CC(C)C)c1)C1C=C(C(=NC1=O)C)C	PC-id_78081098	371.477	NRTQQZDWQFFWSJ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-095350
Cc1nc(CO[C@H]2CN(S(=O)(=O)N(C)C)Cc3ccnn3C2)cs1	ZINC22_306133193	371.478	MEPROPFPFPCHTG-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095352
Cc1nc(CO[C@@H]2CN(S(=O)(=O)N(C)C)Cc3ccnn3C2)cs1	ZINC22_306133194	371.478	MEPROPFPFPCHTG-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095353
Cc1nsc(C)c1CN(Cc1nnc2n1CCOCC2)S(=O)(=O)C	MCULE-2149100588,ZINC22_1615553689,EMOLS-id_320277205	371.478	YEZDJMTUFZHFSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095354
CN(C)S(=O)(=O)N1CC(Cn2nccc2C1)OCc1csc(C)n1	EMOLS-id_50011170	371.478	MEPROPFPFPCHTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095355
n12CCCCCc1nnc2C(=Cc1c(n(c(c1)C)c1ccc(cc1)C)C)C#N	PC-id_4816135	371.478	ZWJCODZAMJDMSP-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-095356
n12CCCCCc1nnc2/C(=C/c1c(n(c(c1)C)c1ccc(cc1)C)C)/C#N	PC-id_6214744	371.478	ZWJCODZAMJDMSP-XSFVSMFZSA-N	00000000110000110101100000000010000000000000000000000000	31-01-095357
c12CN(CCCn1nc(CCC(=O)N1CCN(CC1)C)c2)Cc1c[nH]cn1	ZINC22_91547374,EMOLS-id_46048281,PC-id_72869875,MCULE-2646270196	371.48	BQLDLVSNZIJVBM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095358
c12CN(CCCn1nc(CN1CCCn3cncc3C1)c2)C(=O)NC(C)C	MCULE-1880403969,ZINC22_72151558,EMOLS-id_43144958,PC-id_56905060	371.48	LNACOMUVRQBLFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095359
c12CN(CCCn1nc(CNc1cc(CCC)nc(C)n1)c2)C(=O)N(C)C	EMOLS-id_44431997,PC-id_70729058,ZINC22_82106536,MCULE-9838170189	371.48	LARHUKLUVSJKNE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-095360
c12CN(CCCn1nc(CNc1cc(C)nc(CCC)n1)c2)C(=O)N(C)C	PC-id_70762725,ZINC22_82134859,EMOLS-id_44443771,MCULE-3919658330	371.48	MJKLQYKBXOULAL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-095361
c12CN(CCCn1nc(CN(C)Cc1cc([nH]n1)C1CC1)c2)C(=O)N(C)C	PC-id_56911482,ZINC22_72475084,MCULE-3554070372,EMOLS-id_43163968	371.48	HWCFTOMDSAUODX-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-095362
c12CN(CCCn1nc(CN(C)C)c2)Cc1cnc(nc1)N1CCOCC1	EMOLS-id_43128317,PC-id_56899412,MCULE-5754421233,ZINC22_72163418	371.48	JRLMQVOBDJERDG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-095363
c1(C(=O)NCc2cc3n(CCN(CCCC)C3)n2)nnc2CCCCCn12	ZINC22_426490690,MCULE-8353752480,EMOLS-id_177417099,PC-id_121501766	371.48	XAHMFTWVDXHFSW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-095364
c1(C(=O)NC(C(C)C)c2nnc3CCNCCn23)c2CCCCc2n(C)n1	EMOLS-id_36444654,MCULE-1185171582,PC-id_56712283	371.48	VEVSVVIKURRIDO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-095365
CCC(c1nnc2n1CCCCC2)NC1CCCN(C1=O)c1ccn(n1)C	EMOLS-id_318116209	371.48	BOTXLBFWABQOAR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-095366
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1cnn(c1)C(C1CC1)C	EMOLS-id_100702518	371.48	AMRJTKKILHBJDU-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-095367
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1nccc(c1)CN(C)C	EMOLS-id_319515775	371.48	XYJOJPYDTCVKIT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095368
CC(C)[C@H](NC(=O)c1nn(C)c2c1CCCC2)c1nnc2n1CCNCC2	ZINC22_67676372,PC-id_95200580	371.48	VEVSVVIKURRIDO-INIZCTEOSA-N	00000000100010000101000000010010000000000000000000000000	31-01-095369
CC(C)[C@@H](NC(=O)c1nn(C)c2c1CCCC2)c1nnc2n1CCNCC2	ZINC22_67676373,PC-id_95200581	371.48	VEVSVVIKURRIDO-MRXNPFEDSA-N	00000000100010000101000000010010000000000000000000000000	31-01-095370
CCCCn1ccnc1C1CCN(CC1)C(=O)[C@H]1CCCCn2c1nnn2	PC-id_97268459	371.48	NKWNEVYWJHYMEP-INIZCTEOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-095372
CN1CCCc2cc(nn2CC1)Nc1cc(nn(c1=O)C)N1CCCCC1	PC-id_134355488,SCHEMBL19981898	371.48	QDKNXKJNYVEZCV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-095373
CN1CCN(CC1)C(=O)CCc1nn2c(c1)CN(CCC2)Cc1ncc[nH]1	EMOLS-id_46041385,MCULE-7377276260,PC-id_72860313	371.48	VWQPVPKJKSHZGN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095374
CNc1cc(N2C[C@H](O)C[C@@H]2CNCc2cnc3n2CCCCC3)ncn1	ZINC22_1875397768,PC-id_146112208,EMOLS-id_323994584,MCULE-9518536394	371.48	NCJBWZGTDLHZAQ-GDBMZVCRSA-N	00000010100000100101100000000010000000000000000000000000	31-01-095375
n1(C2CCCCC2)cnnc1CNC(=O)CCc1cc2n(CCCNC2)n1	ZINC22_72458809,EMOLS-id_43149296,MCULE-1613965429,PC-id_70761931	371.48	LPXDPTTVVNNJFC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-095376
O1CC(CN2Cc3n(nc(CN4CCn5c(nnc5C)CC4)c3)CC2)CC1	PC-id_56882402	371.48	CTIRYCXPMVQKGG-UHFFFAOYSA-N	00000010100010000101000000010010000000000000000000000000	31-01-095377
O(C1CCN(CC1)Cc1nn2c(CN(CCC2)CCN)c1)c1ncccn1	PC-id_56886511	371.48	YAKSKAOZNQQTKM-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-095378
O=C(c1ccn(n1)C1CCCNC1)NCCCc1nnc2n1CCCCC2	PC-id_120493293	371.48	YHCLDMWKEZJELX-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-095379
O=C(c1cnc(s1)c1ncccn1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99102767	371.48	WIJDBZFGBPYJJJ-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-095380
O=C(N1CCC(CC1)c1n(CCCC)ccn1)C1CCCCn2nnnc12	PC-id_72839657	371.48	NKWNEVYWJHYMEP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-095381
O=C(NCc1nn2CCCN(Cc2c1)Cc1ccc(nc1)N(C)C)N(C)C	PC-id_70737930	371.48	GQGGQFLDUJWCAH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095382
CN=C(NC1CCc2n(C1)ncn2)NCCCc1nnc2n1CCCCC2	PC-id_112080201	371.483	SIANORNEVUWEIN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-095383
Fc1ccc(N2CCN(CC2)CCCCc2onc3c2CCCCC3)cc1	PC-id_59939384	371.492	RPIVYYXESDNIAZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095384
c1(c2CCCCCc2sc1NC(=O)c1ccccc1C)C(=O)OC(C)C	ZINC22_2737451,SPECS-id_AK-968/11987305,CoCoCo_683492,PC-id_2163547,EMOLS-id_2095479,TIMTEC583441,MCULE-2393575110	371.493	YWOJNIAIVPVXTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095385
c1(c2CCCCCc2sc1NC(=O)c1cccc(C)c1)C(=O)OC(C)C	EMOLS-id_4049087,ZINC22_2081530,PC-id_1740850,CoCoCo_5815213,SPECS-id_AK-968/11845450,TIMTEC115900,MCULE-2771782505	371.493	DAZVMAOXOPDHHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095386
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCCCC2)c1C(=O)O	ZINC22_20334852,PC-id_28860402,EMOLS-id_30070713,MCULE-5456398129	371.493	TVRDZIPGEUWFQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095387
c1(NC(=O)c2ccc(cc2)C(C)C)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_6817430,EMOLS-id_4049085,ZINC22_2752897,MCULE-6763202104,TIMTEC375666,PC-id_4179758	371.493	PERWQADYWAYXME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095388
c1(NC(=O)c2ccccc2C)sc2c(CCCCCC2)c1C(=O)OCC	ZINC22_2095444,SPECS-id_AK-968/37171172,TIMTEC469194,MCULE-4343779411,CoCoCo_5816368,PC-id_1751882,EMOLS-id_4049083	371.493	TZANUDCBRILTQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095389
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_1738313,ChEMBL-DNDi_CHEMBLF0817-0384,PC-id_3488795,CHEMBL1876960,EMOLS-id_5385918,MCULE-9543034734,ZINC22_3893274	371.493	KYDWMWNTRRHDLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095390
c1(NC(=O)CCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_5015599,ZINC22_56898642,EMOLS-id_5400548,PC-id_4461817,MCULE-3722654000	371.493	IPIPKPBINLUMGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095391
Cc1cc(C)c(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c(C)c1	CoCoCo_2861441,EMOLS-id_43703969,MCULE-6879128942,PC-id_7352132,ZINC22_4768071	371.493	QMXNHYIECIXZGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095392
CCc1ccc(cc1)NC(=O)C(OC(=O)c1cc2c(s1)CCCCC2)C	PC-id_16509376,EMOLS-id_43703889,MCULE-2934887678	371.493	PCRYYOVSUSBQSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095393
CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCCCC3)cc1	CoCoCo_2861297,PC-id_7351935,ZINC22_4767639	371.493	PCRYYOVSUSBQSA-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095394
CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCCCC3)cc1	ZINC22_4767636,PC-id_7351934,CoCoCo_2861296	371.493	PCRYYOVSUSBQSA-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095395
COc1cccc(c1)CC(=O)Nc1sc2c(c1C=O)CCCCCCC2	PC-id_143029621	371.493	HTQTUOGDBOZEMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095396
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(n(C2CC2)c(c1)C)C	PC-id_7352141	371.493	BGVOZAJOICRMJK-UHFFFAOYSA-N	00100000110000000100100000000010000000000000000000000000	31-01-095397
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(cccc1C)C)C	PC-id_55418371	371.493	JVNKVQKETHATGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095398
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(CC)cccc1C	PC-id_7351991	371.493	ADTVHAJAKPHZEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095399
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(C(C)C)cc1	PC-id_7352087	371.493	BTULMQZCKQBFPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095400
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(C(C)C)cccc1	PC-id_7352123	371.493	DTDQLKOAZQRXPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095401
s1c2CCCCCc2cc1C(=O)OCC(=O)N(Cc1c(cccc1)C)C	PC-id_7352113	371.493	WPRBNSDYSWUYHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095402
s1c2CCCCCc2cc1C(=O)OCC(=O)N(Cc1ccc(cc1)C)C	PC-id_7352114	371.493	GRDMOSKUHOIFQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095403
s1c2CCCCCc2cc1C(=O)OC(C(=O)N(Cc1ccccc1)C)C	PC-id_78474822	371.493	CSGXWBPIDVFIEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095404
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC(c1ccccc1)C	PC-id_78474820	371.493	NYFOBLHYHRVEAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095405
s1c2CCCCCc2cc1C(=O)OCC(=O)NC[C@@H](c1ccccc1)C	PC-id_7351975	371.493	NYFOBLHYHRVEAH-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095406
s1c2CCCCCc2cc1C(=O)OCC(=O)NC[C@H](c1ccccc1)C	PC-id_7351976	371.493	NYFOBLHYHRVEAH-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095407
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(cccc1C)C)C	PC-id_8254780	371.493	JVNKVQKETHATGJ-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095408
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(cccc1C)C)C	PC-id_8254781	371.493	JVNKVQKETHATGJ-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095409
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)N(Cc1ccccc1)C)C	PC-id_7352008	371.493	CSGXWBPIDVFIEX-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095410
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)N(Cc1ccccc1)C)C	PC-id_7352009	371.493	CSGXWBPIDVFIEX-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095411
s1c2c(CCCCC2)c(c1NC(=O)c1c(cc(cc1)C)C)C(=O)OCC	PC-id_4111920	371.493	DLMXVPLBKVTPCF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095412
s1c2c(CCCCC2)c(c1NC(=O)c1c(ccc(c1)C)C)C(=O)OCC	PC-id_4190708	371.493	FJSBELBEZUGRQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095413
s1c2c(CCCCC2)c(c1NC(=O)c1cc(ccc1)C)C(=O)OCCC	PC-id_3535631	371.493	LUBOGRUHYYEQFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095414
s1c2c(CCCCC2)c(c1NC(=O)c1c(cccc1)C)C(=O)OCCC	PC-id_4373639	371.493	BNCJQHPHPSQGES-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095415
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C)C(=O)OC(C)C	PC-id_4556439	371.493	LHWOMGHAZWKHJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095416
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C)C(=O)OCCC	PC-id_5043988	371.493	LQPURQLOJZHEJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095417
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(ccc(c1)C)C)C(=O)OC	PC-id_41618473	371.493	RUWYCEOXERBLAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095418
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(cc1)CC)C(=O)OC	PC-id_41618734	371.493	NQLCCEXJQTWFEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095419
s1c2c(CCCCC2)c(c1NC(=O)Cc1cc(c(cc1)C)C)C(=O)OC	PC-id_41619656	371.493	VDWCXQWIVADLTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095420
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(cc(cc1)C)C)C(=O)OC	PC-id_7596946	371.493	WJMFIVPIUPQXHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095421
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(cc1)C)C(=O)OCC	PC-id_41616293	371.493	VEBSVKJNCWFUDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095422
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccccc1)C(=O)OC(C)C	PC-id_3397173	371.493	CDGCCVYHQRQKGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095423
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccccc1)C(=O)OCCC	PC-id_4406132	371.493	XZAJAWPNVRRNDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095424
s1c2c(CCCCC2)c(c1NC(=O)C(CC)c1ccccc1)C(=O)OC	PC-id_3555719	371.493	CLBKEAUOQUISTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095425
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1c(cccc1C)C	PC-id_7618603	371.493	FTQCSBKKSSCHQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095426
s1c2c(CCCCCC2)c(c1NC(=O)c1cc(c(cc1)C)C)C(=O)OC	PC-id_4099632	371.493	MFQHAWSXJRSYAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095427
s1c2c(CCCCCC2)c(c1NC(=O)c1cc(ccc1)C)C(=O)OCC	PC-id_5016454	371.493	JVUZMKHUYOXRFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095428
s1c2c(CCCCCC2)c(c1NC(=O)c1ccc(cc1)C)C(=O)OCC	PC-id_5063487	371.493	HZNSRYVCIQPZKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095429
s1c2c(CCCCCC2)c(c1NC(=O)Cc1ccccc1)C(=O)OCC	PC-id_4623961	371.493	IUHMDLKKXMMNNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095430
s1c2c(CCCCCC2)c(c1NC(=O)CCc1ccccc1)C(=O)OC	PC-id_4455552	371.493	XGKVOGJCKOIQFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095431
Cc1ccc(cc1)C(=O)c1c2-c(c(c1C)Cc1scc(n1)C)ccccc2	SCHEMBL15696904,PC-id_90140883	371.495	MNQNVVMPWXHXHT-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-095432
CCc1csc(n1)Cc1c2-c(c(c1C)C(=O)c1ccccc1)ccccc2	PC-id_139814852	371.495	LLQGNMIVYVMFEG-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-095433
c1(c2CCCCc2cs1)C(=O)N1CCCn2c(cc(n2)C(O)C2CC2)C1	EMOLS-id_55652074,PC-id_91777331,MCULE-6289381962	371.496	SZBOIFWVKPAFLK-UHFFFAOYSA-N	00100000100010000101000000010010000000000000000000000000	31-01-095434
c1(cc2c(CCCCC2)s1)C(=O)N1CCC(CC1)c1cc(=O)[nH]c(C)n1	CoCoCo_1405755,EMOLS-id_24859581,CoCoCo_1405754,ZINC22_23368675,MCULE-6441950302,PC-id_135891037	371.496	AOMTYNFCHOITLR-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-095435
C1CCc2c(C1)cc(s2)C(=O)N1CCCn2c(cc(n2)C(C2CC2)O)C1	PC-id_91778230,EMOLS-id_55654634,MCULE-4013646572	371.496	HBSRLKDSXHWIDJ-UHFFFAOYSA-N	00100000100010000101000000010010000000000000000000000000	31-01-095436
c1(C(=O)N(CC)CC)c2CCCCCc2sc1NC(=O)c1cccnc1	EMOLS-id_10658066,PC-id_2854239,MCULE-4038287146,ZINC22_3100263,ChEMBL-DNDi_CHEMBL5583389,CoCoCo_665949	371.496	FZIRAALBPVJNKI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-095437
c1(NC(=O)CCC(=O)Nc2ccc(cc2C)C)sc2c(CCCCC2)n1	MCULE-3984980703,EMOLS-id_334981693	371.496	ZRCMNMBEFACMBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095438
c1(NC(=O)CCC(=O)Nc2ccc(cc2)CC)sc2c(CCCCC2)n1	MCULE-4029097987,EMOLS-id_335018024	371.496	YJUKKPVWLWKBRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095439
c1(NC(=O)CCC(=O)Nc2ccc(c(C)c2)C)sc2c(CCCCC2)n1	EMOLS-id_334961458,MCULE-8963221646	371.496	JPVWDJJFHBGCGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095440
c1(NC(=O)CCC(=O)Nc2cc(C)ccc2C)sc2c(CCCCC2)n1	EMOLS-id_334963775,MCULE-8586679171	371.496	BNJHIBDJQUEAGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095441
c1(NC(=O)CCC(=O)Nc2cccc(C)c2C)sc2c(CCCCC2)n1	MCULE-3248923656,EMOLS-id_334975540	371.496	ZDXDQJAIDIHPSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095442
c1(NC(=O)CCC(=O)Nc2cc(cc(C)c2)C)sc2c(CCCCC2)n1	MCULE-5754486451,EMOLS-id_335011118	371.496	ALMQVTBYBBSBGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095443
c1(NC(=O)CCC(=O)NCc2cccc(C)c2)sc2c(CCCCC2)n1	EMOLS-id_334998325,MCULE-1190247369	371.496	VNEWKYCPFMDDDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095444
c1(NC(=O)CCC(=O)NCc2ccc(C)cc2)sc2c(CCCCC2)n1	MCULE-5690398141,EMOLS-id_335007524	371.496	ZDYZPEDNLZHMOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095445
c1(NC(=O)CCC(=O)N(C)Cc2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_334698713,MCULE-6166729966	371.496	FRVSOJDOXHUZHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095446
c1(NC(=O)CCC(=O)NC(C)c2ccccc2)sc2c(CCCCC2)n1	MCULE-1373235329,EMOLS-id_334990646	371.496	OAWUFBIUFYHGHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095447
c1(NC(=O)CCC(=O)NCCc2ccccc2)sc2c(CCCCC2)n1	MCULE-4507210063,EMOLS-id_334998573	371.496	MKUSMHJQOAQRFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095448
c1(sc2c(CCCCC2)n1)NC(=O)[C@@H](C(C)C)NC(=O)c1ccccc1	MCULE-6436784811,EMOLS-id_323449884	371.496	KPYDDYYROPFSID-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095449
Cc1cc(ccc1NC(=O)c1noc2c1CCCCC2)N1CCSCC1	EMOLS-id_100094565	371.496	CNFGAPCDEWHYBK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095450
Cc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1	MCULE-5272306912,ZINC22_6510843,CoCoCo_3584167,CoCoCo_3584168,EMOLS-id_3431615,PC-id_4795939	371.496	RZGPXJPZEZEREC-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-095451
Cc1ccc(CN(C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1	PC-id_40854986,ZINC22_8879968,CoCoCo_4245161,CoCoCo_4245160	371.496	XFAKKWODEUMIIS-CQSZACIVSA-N	00000000101000000100000000000010000000000000000000000000	31-01-095452
s1c2CCCCCc2c(c1NC(=O)CN(Cc1cn(nc1)CC)C)C#N	PC-id_22194231	371.5	FWZKAGFVQXUJTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095514
Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1	ZINC22_8879962,PC-id_40854982,CoCoCo_4245158,CoCoCo_4245159	371.496	XFAKKWODEUMIIS-AWEZNQCLSA-N	00000000101000000100000000000010000000000000000000000000	31-01-095453
Cc1c(C(=O)Nc2nc3c(s2)CCCCC3)[nH]c2c1C(=O)CC(C)(C)C2	PC-id_24611785,CoCoCo_4546184,MCULE-4661476980,ZINC22_25063828,EMOLS-id_19945599	371.496	BTELCYLLCDVBJW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-095454
CC(C)CC(=O)N1CCc2nc(C(=O)NCc3ccccc3)sc2CC1	EMOLS-id_44303840,PC-id_97442460,ZINC22_96146936	371.496	NKMDAZIJGJRVLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095455
CC(C)CNC(=O)c1nc2CCN(CCc2s1)C(=O)Cc1ccccc1	EMOLS-id_44303920,PC-id_97442500,ZINC22_96146976	371.496	DGIIAMVUFZQJEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095456
CC(C(=O)Nc1c(C#N)c2c(CCCCC2)s1)N(Cc1oc(C)cc1)C	PC-id_17411440,MCULE-6987339112,EMOLS-id_11944386	371.496	XFAKKWODEUMIIS-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-095457
CCN(CC)C(=O)c1nc2CCN(CCc2s1)C(=O)Cc1ccccc1	EMOLS-id_44304056,PC-id_97442567,ZINC22_96147043	371.496	GSQSUZYGDFJTJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095458
Cn1ncc(c1)C(=O)CC1CCCN1C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_101247079	371.496	ROLPKKWYMXVEOX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095459
COc1cccc(c1)C1CCCN1C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825126	371.496	VMWRBVBFKIWRRI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-095460
COc1ccc(cc1)C1CCCN1C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825162	371.496	WRGRFWGOUYHINK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-095461
NCCNC(=O)c1ccccc1NC(=O)c1sc2c(c1)CCCCCC2	PC-id_120603406	371.496	DGABVEXSDVWQDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095462
OC1CC(N(C1)C(=O)Nc1sc2c(n1)CCCCCC2)c1ccccc1	EMOLS-id_101851207	371.496	GMJBMHATURPUOO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-095463
O=C(c1cc2c(s1)CCCC2)N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O	PC-id_100057479	371.496	HBSRLKDSXHWIDJ-IBGZPJMESA-N	00100000100010000101000000010010000000000000000000000000	31-01-095464
O=C(c1cc2c(s1)CCCC2)N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O	PC-id_100057480	371.496	HBSRLKDSXHWIDJ-LJQANCHMSA-N	00100000100010000101000000010010000000000000000000000000	31-01-095465
O=C(c1cc2c(s1)CCCCC2)NCc1cccnc1N1CCOCC1	EMOLS-id_98372101	371.496	TYAKDGOLOMSCDB-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-095466
O=C(c1cc2c(s1)CCCCC2)NCc1ccnc(c1)N1CCOCC1	EMOLS-id_98380689	371.496	VPSCMNPYVUAWGP-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-095467
O=C(c1cccc(c1)CN1CCOCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98902321	371.496	CFCJPWIABSOJAO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095468
O=C(c1ccccc1CN1CCOCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_99926808	371.496	MYOMZUADMCQTSP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095469
O(Cc1c(c(C[NH2+]Cc2n3CCCCCc3nn2)c(cc1C)C)C)C(=O)C	PC-id_52390226	371.496	KKLBWTMRVKMUIK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-095470
O=C(c1noc2c1CCCCC2)Nc1cccc(c1)CN1CCSCC1	EMOLS-id_100925127	371.496	HGWGCGPGXIELHX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095471
O=C(c1scc2c1CCCC2)N1CCCn2nc([C@H](O)C3CC3)cc2C1	PC-id_100055277,ZINC22_220253102	371.496	SZBOIFWVKPAFLK-GOSISDBHSA-N	00100000100010000101000000010010000000000000000000000000	31-01-095472
O=C(c1scc2c1CCCC2)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_220253029,PC-id_100055275	371.496	SZBOIFWVKPAFLK-SFHVURJKSA-N	00100000100010000101000000010010000000000000000000000000	31-01-095473
O=C(Nc1ccc(N2CCOCC2)nc1)c1cc2c(s1)CCCCCC2	MCULE-8637933614,ZINC22_24904230,EMOLS-id_19900473,CoCoCo_4474272,PC-id_24590467	371.496	NZWMDRCPKLKJHO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-095474
O=C(Nc1cccnc1N1CCOCC1)c1cc2c(s1)CCCCCC2	MCULE-5591474922,EMOLS-id_45641333,PC-id_71937662,ZINC22_65824859	371.496	IIFJLCARFUSFHS-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-095475
O=C(N(c1ccnnc1)CC1CCCO1)c1sc2c(c1)CCCCCC2	EMOLS-id_278226972	371.496	MWSAEFRBHHEKBS-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-095476
O=C(Nc1nc2c(s1)CCCCC2)NC1CCOC(C1)c1ccccc1	EMOLS-id_99731839	371.496	UQMUDUDNXZYMLD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095477
O=C(NCc1ccc(N2CCOCC2)nc1)c1cc2c(s1)CCCCC2	PC-id_17453136,ZINC22_14140642,EMOLS-id_13480967,MCULE-2631829704,CoCoCo_4469191	371.496	MYIWEDAHLZGKLC-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-095478
s1c2CCCCCc2cc1C(=O)NNC(=O)CNc1c(cc(cc1)C)C	PC-id_9273249	371.496	CCCRBQJDZYHQGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095479
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(N(C)C)cc1)C(=O)NC	PC-id_7475109	371.496	WVOBRLOCZRRCFF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095480
s1c2CCCCCc2nc1NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1	PC-id_56126639	371.496	ICMCAKVYUXOQLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095481
s1c2CCCCCc2nc1NC(=O)C(NC(=O)c1ccccc1)C(C)C	PC-id_43041013	371.496	KPYDDYYROPFSID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095482
s1c2CCCCCCc2cc1C(=O)NC(c1ccc(NC(=O)N)cc1)C	PC-id_75878625	371.496	JEBZWECMLNYHMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095483
s1c2CCCCCCc2cc1C(=O)NCCC(=O)NCc1ccncc1	PC-id_56366699	371.496	LQVQCADWNVFRCK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-095484
s1c2CCCCCCc2cc1C(=O)N[C@H](c1ccc(NC(=O)N)cc1)C	PC-id_52600045	371.496	JEBZWECMLNYHMZ-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095485
s1c2CCCCCCc2cc1C(=O)N[C@@H](c1ccc(NC(=O)N)cc1)C	PC-id_52600046	371.496	JEBZWECMLNYHMZ-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095486
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNc1ccc(cc1)C	PC-id_52439475	371.496	DRXFUIOVILBTDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095487
s1c2CCCCCCc2nc1NC(=O)c1ccc(N2CCOCC2)cc1	PC-id_56195430	371.496	JEHMXTAXDRKVFG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095488
s1c2CCCCCCc2nc1NC(=O)CCCNC(=O)c1ccccc1	PC-id_56021341	371.496	NOQXTMZHCWRGQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095489
s1c2CCCCCCc2nc1NC(=O)CC(NC(=O)C)c1ccccc1	PC-id_56021088	371.496	XQCYCUYZOIUGIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095490
s1c2CCCCCCc2nc1NC(=O)C(NC(=O)c1cc(ccc1)C)C	PC-id_56021087	371.496	GVBZXOBBJSHOQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095491
s1c2CCCCCCc2nc1NC(=O)CNC(=O)c1cc(c(cc1)C)C	PC-id_56021589	371.496	TTYCQCUVIKSHKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095492
s1c2CCCCCCc2nc1NC(=O)CNC(=O)c1cc(cc(c1)C)C	PC-id_56021592	371.496	VRADZDKDIBQUBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095493
CCCCCCNC(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	MCULE-3638313192,PC-id_70764851,EMOLS-id_44444493,ZINC22_82136960	371.498	WCHPOHYEMRQQEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095494
CC(C)CN1CCCn2nc(CNS(=O)(=O)N3CCOCC3)cc2C1	EMOLS-id_44449803,ZINC22_82157323,MCULE-4564808255,PC-id_70780069	371.498	AFVWLHXDLSDJGD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095495
CC(C)N(C(C)C)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82087030,PC-id_70707184,EMOLS-id_44424307,MCULE-4308462879	371.498	AWLCTKKANAUTSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095496
s1c(/N=N/c2cc(C(C)(C)C)c3-c2ccccc3)nc(c2ccccc2)c1	PC-id_12104379	371.498	KLZTYJHIBDMTKE-OCEACIFDSA-N	00000010100000110111100000000010000000000000000000000000	31-01-095497
c12nnnn1CCCCC2C(=O)N1CCC(CC1)Sc1cccc(C)c1	MCULE-9989164391,EMOLS-id_49676484,PC-id_74248523	371.5	UAGPAOHLPDBTML-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095498
c1(C(=O)NC2CCCC=C2)cn2c(CCN(Cc3scnc3C)CC2)n1	EMOLS-id_331088148,MCULE-6232039694	371.5	KLDWAQUIDVZPCD-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-095499
Cc1cccc(SC2CCN(C(=O)[C@@H]3CCCCn4nnnc34)CC2)c1	PC-id_97939448,ZINC22_97772748	371.5	UAGPAOHLPDBTML-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095500
Cc1cccc(SC2CCN(C(=O)[C@H]3CCCCn4nnnc34)CC2)c1	ZINC22_97772749,PC-id_97939449	371.5	UAGPAOHLPDBTML-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095501
Cc1ccsc1c1nc(CN2CCc3nnc(C(C)C)n3CC2)c(C)o1	PC-id_56739289,ZINC22_67458477,EMOLS-id_36565803,MCULE-3050145377	371.5	IHFPLONJMDXSOO-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-095502
Cc1ncsc1CN1CCc2nc(C(=O)N[C@H]3C=CCCC3)cn2CC1	ZINC22_1875242985	371.5	KLDWAQUIDVZPCD-HNNXBMFYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-095503
Cc1ncsc1CN1CCc2nc(C(=O)N[C@@H]3C=CCCC3)cn2CC1	ZINC22_1875242986	371.5	KLDWAQUIDVZPCD-OAHLLOKOSA-N	00000000100011000101000000000010000000000000000000000000	31-01-095504
Cc1sc2c(c1)C(=O)N(CCC2)CCN1CCN(CC1)c1ncccn1	PC-id_19881153,SCHEMBL9038363	371.5	PLGCJWFTISPROQ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-095505
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1CN1CCSCC1	EMOLS-id_278129439	371.5	WZXHCFHUXVKOND-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095506
O=C(CSc1nnc2n1CCCCC2)N1CCN(c2ccccc2)CC1	ZINC22_6097342,PC-id_7876823,EMOLS-id_3672649,MCULE-2332061828,CoCoCo_3081575	371.5	WTMPWBZMRUTBIV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095507
O=C(CSc1nnc2n1CCCCC2)Nc1ccccc1N1CCCC1	CoCoCo_4311470,EMOLS-id_11837976,MCULE-7330599171,ZINC22_9378926,PC-id_16378612	371.5	PBHOLIDPXJZAKD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-095508
O=C(N1CCC(CC1)c1ccncn1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101851198	371.5	JHVDJBOJVWYZSA-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-095509
O=C(N1CCN(CC1)c1ccccn1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101101064	371.5	PDVCVEQSIOGOQA-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-095510
O=C(N1CCN(CC1)Cc1ccccn1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98001666	371.5	XSICVRBLJDSURT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-095511
O=C(N1CCN(CC1)Cc1ccncc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98028712	371.5	JDTTWRCVJWAVKH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-095512
O=C(N1CCSC(C1)c1ccccc1)NCc1nnc2n1CCCCC2	EMOLS-id_318250735	371.5	VRKRFUIVTMXGLB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095513
s1c2CCCCCc2c(c1NC(=O)CN(Cc1c(nn(c1)C)C)C)C#N	PC-id_22196240	371.5	GWYJSJYBBWNEKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095515
s1c2CCCCCc2c(c1NC(=O)CN(Cc1c(n(nc1)C)C)C)C#N	PC-id_22196388	371.5	BVMYISIHSUHUJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095516
s1c2CCCCCCc2c(c1NC(=O)CN(Cc1cn(nc1)C)C)C#N	PC-id_22196095	371.5	UZROBPKXVILSMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095517
s1c2c(N(CCCN3CCN(CC3)c3ncccn3)C(=O)CCC2)cc1	PC-id_19881145	371.5	ZSMQPQCEEFZGIG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-095518
O=C(c1sc2c(c1)CCCCCC2)NS(=O)(=O)CC1CCCOC1	EMOLS-id_111245645	371.515	ISMITTIMYPKPLZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-095519
CC[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc(OCCC(C)C)c1)C2	ZINC22_220307933,PC-id_100056264	371.516	WMNRRAFQBQGYJZ-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095520
CC[C@H](O)c1cc2n(n1)CCCN(Cc1cccc(OCCC(C)C)c1)C2	ZINC22_220308001,PC-id_100056265	371.516	WMNRRAFQBQGYJZ-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095521
CCC(O)c1cc2CN(Cc3cccc(OCCC(C)C)c3)CCCn2n1	MCULE-3277343656,EMOLS-id_50536809,PC-id_90650337	371.516	WMNRRAFQBQGYJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095522
O=C(N1CCC(CC1)N(C1=CC=c2c(=C(CC1)C)cc[nH]2)C)OC(C)(C)C	PC-id_144423163	371.516	PIXWBHBBNMDJQQ-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-095523
CC(C(N1CCCS1(=O)=O)C(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_98532535	371.518	YWUQQPSNIVZAFP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095524
CCN1CCN(S(=O)(=O)NC(=O)c2cc3c(s2)CCCCC3)CC1	MCULE-4408100369,EMOLS-id_53823242,ZINC22_225525615,PC-id_100666410	371.518	KEBJLRSVCSXEGC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095525
CCS(=O)(=O)C1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111825619	371.518	NLVOCDWJKNWXLN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095526
CCS(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110529203	371.518	IJSQRJVCBNNSAD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095527
CNS(=O)(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110354596	371.518	FJAAUYSUVWEFLH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095528
CS(=O)(=O)N1CCC(CC(=O)Nc2nc3CCCCCc3s2)CC1	MCULE-8830092518,ZINC22_19748864,BDA-25044268,EMOLS-id_132659,PC-id_92634182	371.518	UANCCMQXOJQSRV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095529
O=C(c1cc2c(s1)CCCCC2)N1CCCC(C1)CNS(=O)(=O)N	EMOLS-id_110205377	371.518	LTBSXLPBZHAGKH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-095530
O=C(C1CCN(CC1)S(=O)(=O)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644827	371.518	HQMXQLCVTFDNHZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095531
O=C(C1(CCNCC1)S(=O)(=O)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_303003581,MCULE-1121262144,PC-id_121727925	371.518	BRRBBKQCIXZBFG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095532
O=C(CN(C1CCS(=O)(=O)C1)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98550716	371.518	NIGNQGGRKLSBGK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095533
O=C(Nc1sc2c(n1)CCCCCC2)NCC1(CCC1)S(=O)(=O)C	EMOLS-id_101098418	371.518	ALWXIEBITUFSNV-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-095534
O=C(Nc1sc2c(n1)CCCCCC2)NCC1CCCCS1(=O)=O	EMOLS-id_101074507	371.518	PUJQXJLJVWJDCR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095535
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2CCCCCCc2n1)C	PC-id_56022106	371.518	RXANFDDRAMCRAS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095536
c12CN(CCCn1nc(CN(C)CC1CC(=O)N(CC)C1)c2)CC#CCC	PC-id_56887484,MCULE-2973716926,EMOLS-id_43079217	371.52	CZMJKSIUOWWFGK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095537
c12CN(CCCn1nc(CNC(=O)c1ccn(C(C)(C)C)c1)c2)CC(C)C	PC-id_70769950,EMOLS-id_44446307,ZINC22_82138689,MCULE-3772329173	371.52	LTAYBXHJTKEDIQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-095538
c1(C(=O)NCc2cc3n(CCCN(CC(C)C)C3)n2)cc(n(CC)c1C)C	ZINC22_82097414,MCULE-3080618140,EMOLS-id_44428643,PC-id_70719507	371.52	LPLWCSDPPXKSOB-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-095539
CCC#CCN1CCCn2nc(CN(C)C[C@@H]3CC(=O)N(CC)C3)cc2C1	PC-id_95711418,ZINC22_72133637	371.52	CZMJKSIUOWWFGK-SFHVURJKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095540
CCC#CCN1CCCn2nc(CN(C)C[C@H]3CC(=O)N(CC)C3)cc2C1	ZINC22_106949122,PC-id_98769702	371.52	CZMJKSIUOWWFGK-GOSISDBHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095541
O=C(CCCc1nc2ccccc2s1)Nc1nc2CCCCCc2s1	EMOLS-id_17155384,CoCoCo_4546101,PC-id_25477470,ZINC22_12744939,MCULE-1275446441	371.52	LKYNMFDQXPTBRF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095542
O=C(N1CCCC1CC1CC2CC1CC2)NCc1nnc2n1CCCCC2	EMOLS-id_110352907	371.52	XUJCFVLJEGUVJZ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-095543
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CC1C2CC(C1)CC2	PC-id_51308079	371.52	DJBLVRKQFDZWIQ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-095544
s1c2CCCCCc2cc1C(=O)Nc1ccc(N2CC[NH+](CC2)C)nc1	PC-id_25396938	371.52	VARRNCBEKPZCIO-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-095545
S=c1n2CCCCCc2nn1C[NH+](Cc1c2c(oc1CC)cccc2)C	PC-id_9331277	371.52	NCDOGOFSJHSLQQ-UHFFFAOYSA-O	00000000100000100101000001000010000000000000000000000000	31-01-095546
Cc1ccccc1Nc1nc(CSc2nnc3n2CCCCC3)cs1	EMOLS-id_11825988,CoCoCo_3081746,PC-id_16373203,ZINC22_9885088,MCULE-9647222239	371.523	JPTXHOYCCTUGHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095547
Cc1ccc(Nc2nc(CSc3nnc4n3CCCCC4)cs2)cc1	PC-id_7876971,CoCoCo_3081741,GD-id_ZINC06097562,MCULE-6673773598,EMOLS-id_11759030,ZINC22_6097562	371.523	DDSNLSOUTIUIBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095548
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1cccn1C)C	PC-id_109806916	371.523	ARJGRANMKOTUMM-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-095549
CN=C(N1CCC(C1)N1CC=CC1)NCCCc1nnc2n1CCCCC2	PC-id_112082733	371.523	YAWBOMZRMRTLSY-UHFFFAOYSA-N	00000011100000000101100000000010000000000000000000000000	31-01-095550
c1(NC(=O)CC2(CCCCC2)Cn2cccc2)sc2c(CCCCC2)n1	EMOLS-id_323234408,MCULE-4595586802	371.539	VYCXNWQHDZDOFD-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-095551
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1ccccc1	PC-id_30376730	371.539	RPFQOMBTEOCRST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095552
S(c1n2CCCCCc2nn1)CC(=O)c1c(C(C)C)cc(C(C)C)cc1	PC-id_7876728	371.539	WAJILSUZLYUXJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095553
BrCC1OC(C)CN(C1)C(=O)c1cc2c(s1)CCCCC2	PC-id_102937811	372.32	QGSQBOYJPZXBNQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095656
c12C(=O)NCCCc1nc(NC(=O)CCCCC1CCSS1)s2	EMOLS-id_48619066,MCULE-5724857804,PC-id_72720019	371.541	DJTJPVMVDPMVGP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095554
c12SC/C(=NOC(=O)c3ccccc3)/CSc1sc(=S)s2	TIMTEC411818,MCULE-5525985747,ZINC22_5601892,PC-id_4083270	371.541	QTCOWCITTYCLEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095555
O=C(Nc1nc2c(s1)C(=O)NCCC2)CCCC[C@H]1SSCC1	PC-id_97428937	371.541	DJTJPVMVDPMVGP-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095556
O=C(Nc1nc2c(s1)C(=O)NCCC2)CCCC[C@@H]1SSCC1	PC-id_97428938	371.541	DJTJPVMVDPMVGP-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-095557
Cc1cccc(N2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)c1C	CoCoCo_3446210,ZINC22_57383488,MCULE-6009975052,CoCoCo_3446211,PC-id_16268419,EMOLS-id_13396858	371.543	MZPCQMLAZYSPOG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095558
s1c2CCCCCc2c(c1Nc1sc2c(n1)ccc(SC)c2)C#N	PC-id_43968985	371.543	SDTUXTGUMYWQPA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095559
s1c2CCCCCc2c(c1Nc1sc2c(n1)c(SC)ccc2)C#N	PC-id_7513112	371.543	QYXRWKZBOVBTKK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095560
S=c1n2CCCCCc2nn1CN(Cc1c(N2CCCC2)cccc1)C	PC-id_8413400	371.543	WJCHWGBQFCYPMO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-095561
S=c1n2c(nn1CN1CCN(CC1)Cc1cc(ccc1)C)CCCCC2	PC-id_31011445	371.543	BZFPMSIAQSCTAO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095562
S=c1n(CN2CCN(CCc3ccccc3)CC2)nc2n1CCCCC2	CoCoCo_4403562,ZINC22_23256881,EMOLS-id_13553011,MCULE-4484680857,CoCoCo_4403563,PC-id_17473724	371.543	GFZQJIXRPKYBIV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095563
S1CC(=CSc2sc(=S)sc12)NNC(=O)c1ccncc1	PC-id_4225137	371.544	RQGNTCAMFGKKMD-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-095564
S1CC(=NNC(=O)c2cccnc2)CSc2sc(=S)sc12	PC-id_6618617,CoCoCo_1949180	371.544	WKXBEVIDYJAYMI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095565
S1CC(=NNC(=O)c2ccncc2)CSc2sc(=S)sc12	PC-id_3316550	371.544	FALSDXYWKMOQBC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095566
CC(c1cccc(c1N=Cc1ccc2-c1ccc(cc2)C(C)(C)C)C(C)C)C	PC-id_139171333	371.558	SARHHZCOBIZRKS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-095567
CNCc1sc2c(c1)C(=N)C(CCS2)CC(=C)Nc1ccc(cc1)C	PC-id_141848688	371.563	SBAWGOQBXYLOQU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095568
S=c1n(nc2n1CCCCC2)C[NH+](C1CC1)Cc1ccc(cc1)C(C)C	PC-id_9318140	371.563	DWYFYAFLWYGGEV-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-095569
CC1(CC2CC(C1)(CN2C=Nc1c(c2c(s1)CCCCC2)C=NC)C)C	PC-id_91528444	371.583	AWQCCRWSXGFDIJ-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-095570
FC(F)(F)c1ccc(Cl)c(NC(=O)Cn2cc3CCCCCc3n2)c1	PC-id_20892470,MCULE-2002076201,EMOLS-id_16087283,CoCoCo_2192307	371.785	KWMAFQKWLQCBFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095571
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(Cl)cc1F	EMOLS-id_33086858,PC-id_53182878,MCULE-8674393336	371.814	PCLCYTKEJSKROH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095572
CN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(F)cc1Cl	EMOLS-id_33086830,PC-id_53182873,MCULE-8840700419	371.814	FTMKJUFZMJDECP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095573
Fc1ccc(CNS(=O)(=O)c2cc3C(=O)NCCCn3c2)c(Cl)c1	MCULE-3751403861,PC-id_53182816,EMOLS-id_33086370	371.814	FAAHUPKCSXZNMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095574
Clc1ccc(C(=O)N2CC(c3c([nH]c(c3)C#N)C(C2)C(=O)O)(C)C)cc1	SCHEMBL4138936,PC-id_68927949	371.818	BQEWWPXUFCPHKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095575
Clc1cc(C(=O)N2CC(c3c([nH]c(c3)C#N)C(C2)C(=O)O)(C)C)ccc1	SCHEMBL4141189,PC-id_68928888	371.818	WVLDXCCEDHNCEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095576
C1CN(CCc2c1nc(o2)C(=O)Nc1ccc(cc1)Cl)Cc1cnc[nH]1	PC-id_134807993	371.821	OZGLZAVHFRQXDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095577
c1(C(=O)NCc2noc(c3ccccc3Cl)c2)cn2c(CCNCC2)n1	MCULE-6893052514,EMOLS-id_330400253,ZINC22_1857716585	371.821	BJJUVDBTMFAXRW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095578
c1(C(=O)NCc2onc(c3ccccc3Cl)n2)c2CCCCCc2[nH]n1	MCULE-4922220753,EMOLS-id_323248572	371.821	SMDAWMLMLVGJAO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095579
c1(C(=O)NCc2onc(c3ccc(cc3)Cl)n2)c2CCCCCc2[nH]n1	MCULE-5024041829,EMOLS-id_323251385	371.821	PWZRUFVXRCLRKX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095580
Cc1[nH]nc(n1)c1ccc(cc1Cl)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101039233	371.821	RBYVRMXQIODBSK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095581
O=C1NCC(Cc2c1cn(n2)Cc1nnc(o1)c1ccccc1Cl)(C)C	EMOLS-id_317988669	371.821	QBVCUUWQPCKMOX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095582
c1(C(=O)N2CCn3c(CC2)nnc3Cc2cccnc2)nn(cc1Cl)C	MCULE-1966334448,EMOLS-id_49674072,ZINC22_97743655,PC-id_74247353	371.824	MCGPCJQWRGJKMN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095583
COc1cc(c(cc1OC)Cl)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99305882	371.836	BBABPYBPTUPQTC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095584
COc1ccc(Cl)cc1S(=O)(=O)N1CCCn2nc(CO)cc2C1	PC-id_91770629,MCULE-3448511320,EMOLS-id_55632852	371.839	OMKWIUXLFVNIRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095585
OCC(O)c1cc2CN(CCCn2n1)S(=O)(=O)c1ccccc1Cl	PC-id_91779390,EMOLS-id_55658046,MCULE-9139832004	371.839	QRTILUCJCSKADD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095586
O=S(=O)(c1ccccc1Cl)N1CCCn2nc([C@@H](O)CO)cc2C1	PC-id_100060256,ZINC22_220525982	371.839	QRTILUCJCSKADD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095587
O=S(=O)(c1ccccc1Cl)N1CCCn2nc([C@H](O)CO)cc2C1	ZINC22_220526044,PC-id_100060258	371.839	QRTILUCJCSKADD-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095588
N#CC(C(=O)c1noc2c1CCCCC2)c1sc2c(n1)cc(cc2)Cl	EMOLS-id_101031760	371.841	MSNFEBHSJNNPMX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095589
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)Cc1ccc(cc1)Cl	PC-id_90625650	371.862	OYVZNCOPDHMTPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095590
Cc1c(cc(cc1)Cl)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625623	371.862	PHTORNMWWDEIBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095591
Cc1c(cccc1Cl)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625626	371.862	TUGMLPURSCLQHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095592
c1(C(O)c2ccccc2)cc2n(CCCN(CCn3cc(cn3)Cl)C2)n1	EMOLS-id_55604808,MCULE-7846594940,PC-id_91760705	371.864	WTBOTZRMZWLPLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095593
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3ccc(cc3)Cl)C2)n1	PC-id_90651376,MCULE-2133017971,EMOLS-id_50540627	371.864	NLIRQRZPKDXHRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095594
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3cccc(Cl)c3)C2)n1	MCULE-7310349407,PC-id_91765133,EMOLS-id_55617123	371.864	DFJWWZXCZZGFCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095595
Cc1c(C(=O)NCc2nnc3n2CCCCC3)n(C)c2ccc(Cl)cc12	SYN-22976154,ZINC22_19660279,CoCoCo_508181,PC-id_46978303	371.864	OPJHJCSQTIZXIC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-095596
Clc1cc2n(CC(=O)NCCc3n4CCCCCc4nn3)ccc2cc1	PC-id_56005841	371.864	HCXGZXIQRSQBHM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-095597
Clc1cccc(c1)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccnn1C)O	PC-id_100025664	371.864	DFJWWZXCZZGFCF-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-095598
Clc1cccc(c1)CN1CCCn2c(C1)cc(n2)[C@H](c1ccnn1C)O	PC-id_100025666	371.864	DFJWWZXCZZGFCF-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095599
Clc1cnn(c1)CCN1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_99970803	371.864	WTBOTZRMZWLPLV-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095600
Clc1cnn(c1)CCN1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_99970805	371.864	WTBOTZRMZWLPLV-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-095601
Cn1c(C(=O)NCCc2nnc3n2CCCCC3)c(Cl)c2ccccc12	ZINC22_56381841,MCULE-2789287769,PC-id_60544200,EMOLS-id_44541054	371.864	HRKRCSQTXAIOTJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-095602
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2	PC-id_100065904,ZINC22_221197730	371.864	NLIRQRZPKDXHRM-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095603
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2	PC-id_100065905,ZINC22_221197784	371.864	NLIRQRZPKDXHRM-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-095604
CN(Cc1nc(c2cccc(Cl)c2)no1)Cc1n[nH]c2c1CCCCC2	CoCoCo_1336062,MCULE-2782983019,ZINC22_20992177,Chemmine_33771,CoCoCo_1336065,EMOLS-id_20544885,CoCoCo_1336063,PC-id_25286126,CoCoCo_1336064	371.864	XTWLZFNSYBRVSP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095605
CC(NC(=O)c1cc2=CC(=CCC=c2[nH]1)Cl)CCN(S(=O)(=O)C)C	PC-id_144935535	371.882	WNXBRZGGOHEBNF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-095606
Clc1c(CC2c3n(nc(c3CCCC2)C(=O)NC2CCC2)C)cccc1	SCHEMBL176580,PC-id_25026801	371.904	XNOGDQRRWPMGPN-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-095607
Clc1cc(Sc2n3CCS(=O)(=O)NCc3nc2C(C)C)ccc1	PC-id_69949486	371.905	NZLBMALPQFYWQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095608
CSc1ccc(cc1Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950842	371.905	DTLYECPERIWSHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095609
Clc1ccc(C2CCN(CC2)CCCc2n3CCCCCc3nc2)cc1	PC-id_70239503,SCHEMBL7960226	371.947	KDQWNQFJKPLUJU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095610
Clc1ccc(C2CCN(CC2)CCCc2n[nH]c3c2CCCCC3)cc1	SCHEMBL5774373,PC-id_17773211	371.947	HEIZULVAETWIFN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095611
C[Si](C)(C)C(CBr)OCN1C=CC2=C1C(=O)NCCC2=O	PC-id_150219653	372.05	FTFAPKQQLQUPMS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-095612
CC1=C(C2=CC=CC=CC2=C1C(=O)C3=CC=C(C=C3)C(F)(F)F)CC(=O)O	PC-id_153789382	372.097	CDXNQGJOIFZGNJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-095613
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CCC(NS2=O)C=C	PC-id_154682058	372.106	SQKPAWWOXBFXPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095614
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)SC(=N4)NC(=O)C	PC-id_154685784	372.108	LTBSLZLNPOURPC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095615
CC(C1=CC2=C(C=C1)SC=N2)N3CCCC4=C(C3)SC(=N4)NC(=O)C	PC-id_154685746	372.108	FGJYSKAHCGVUQW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095616
CC(C1=CC2=NSN=C2C=C1)N3CCC4=C(CC3)SC(=N4)CC(=O)C	PC-id_165019156	372.108	KWYMLUJBKGXWLQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095617
C[C@H](C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)SC(=N4)NC(=O)C	PC-id_154685714	372.108	LTBSLZLNPOURPC-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095618
C[C@@H](C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)SC(=N4)NC(=O)C	PC-id_164762734	372.108	LTBSLZLNPOURPC-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-095619
c1ccc(cc1)C[n+]1c2-c(ccccc2)n(c1=O)Cc1ccc(cc1)[N+](=O)[O-]	PC-id_163697661	372.134	RJRDQOBSIRIANC-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-095620
CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3=NC4=C(S3)CCCCC4)C	PC-id_151913601	372.151	SVHLRFZOCBFNKZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095621
Brc1cc(F)c(c(c1)F)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182505	372.168	KRUNGVAODVTAGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095622
O=C(c1cc(Br)c(cc1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102177980	372.168	YNEPCGGIRKQZFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095623
O=C(c1cc(F)c(cc1Br)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102182373	372.168	CGOBRZDDDGECNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095624
O=C(c1c(F)ccc(c1F)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102177953	372.168	SFGJOYDBVIASSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095625
Brc1cc2c(noc2c(=O)cc1)/C=C/c1cc2OCOc2cc1	PC-id_56965200	372.17	XVHAECPFJVKDMX-DAFODLJHSA-N	00000010100000100111000000001010000000000000000000000000	31-01-095626
Brc1cc2c(noc2c(=O)cc1)C=Cc1cc2OCOc2cc1	PC-id_76451185	372.17	XVHAECPFJVKDMX-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-095627
Brc1c(=O)c2onc(c2ccc1)/C=C/c1cc2OCOc2cc1	PC-id_56965198	372.17	ZHLXIDKENZLQIB-GQCTYLIASA-N	00000010100000100111000000001010000000000000000000000000	31-01-095628
Brc1c(=O)c2onc(c2ccc1)C=Cc1cc2OCOc2cc1	PC-id_76451183	372.17	ZHLXIDKENZLQIB-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-095629
Brc1c2CCN(CCc2sc1C(F)(F)F)C(=O)OCC	PC-id_68474085,SCHEMBL3004283	372.201	UXBXBROOXZWMNP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-095630
Ic1c2-c(c(/N=N/c3ccc(cc3)C)c1)ccccc2	PC-id_85774730	372.203	QKJGXSWMIBDZEK-FMQUCBEESA-N	00000010100000110110000000000010000000000000000000000000	31-01-095631
CC1=CC(=C(C=C1[C@H](C)NC(=O)CN2CCCC3=C(C2)C=CO3)OC)OC	PC-id_164639787,ZINC22_808797395	372.205	OZQKDDAEVHVOMP-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095632
BrC1CCCc2c(C1=O)c(cn2C(=O)OC(C)(C)C)C(=O)O	PC-id_140454221	372.211	BGYBYSFZRUUTLU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-095633
COC1=CC=CC=C1COC2CCN(CC2)CC3=NN=C4N3CCOCC4	PC-id_154802776	372.216	JHSQFQSEHGCMRD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095634
BrCC1OCC(N(C1)C(=O)c1sc2c(CCCCC2)c1)C	PC-id_81213901	372.32	HJZIQXVOLZJCFL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095657
FC(F)(F)C1(O)C(C(=O)c2c(C(=O)C1)c(oc2C)C)C(=O)C(F)(F)F	PC-id_15369473	372.217	NAMMDYAJDZDEJV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-095635
C1CCCC2=C(CC1)C=C(S2)C(=O)N3CC4(C3CCC4)CN5CCCC5	PC-id_164845025	372.224	OYCAXCRBDZIIGI-UHFFFAOYSA-N	00001010100000000100001000000010000000000000000000000000	31-01-095636
Brc1ccc(cc1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026476	372.241	LLHLOAQCSJOPBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095637
Brc1ccccc1S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026518	372.241	WNXYHNPJMOOGCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095638
Brc1cccc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026539	372.241	LXUIWFQEFRBNFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095639
Brc1csc(c1)C(=O)Nc1nc2CCCNC(=O)c2s1	PC-id_72720032,MCULE-8304321761,EMOLS-id_50139275,ZINC22_211131652	372.261	IOJGUOYDWOJVPV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095640
FC(F)(F)/C(=C/C=O)/c1c2-c(c(c1)C(=CC=O)C(F)(F)F)ccccc2	PC-id_11111492	372.261	GVBMRLRVIZYOOJ-LUWHZCIRSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095641
FC(F)(F)C(=CC=O)c1c2-c(c(c1)C(=CC=O)C(F)(F)F)ccccc2	PC-id_85402767	372.261	GVBMRLRVIZYOOJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095642
Brc1ccc(c(c1F)C(c1cc2c(s1)CCCCC2)N)F	PC-id_106944561	372.271	JRQQJGVJFLHIHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095643
Brc1c(F)cc(C(N)c2sc3c(CCCCC3)c2)c(F)c1	PC-id_64212091	372.271	KXXCHIBDCFCWDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095644
O=C(CSc1nnc2n1CCCCC2)Nc1ncc(Cl)cc1Cl	MCULE-5873832889,PC-id_4826779,CoCoCo_3081514,ZINC22_6097243,EMOLS-id_11782183	372.273	QWVUPOIEQHUTKM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095645
FC(F)(F)Oc1ccc(CN2CCn3c(OCC2)nc([N+](=O)[O-])c3)cc1	SCHEMBL14965842,PC-id_71569481	372.299	TYHGDVJFZVOCGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095646
FC(F)(F)Oc1cc(CN2CCn3c(OCC2)nc([N+](=O)[O-])c3)ccc1	SCHEMBL14965784,PC-id_71569482	372.299	VMUOVASQBVJHGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095647
Brc1ccc(s1)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3082167,CoCoCo_3082168	372.304	NTUVCIAKSQXKPM-CMDGGOBGSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095648
Brc1ccc(s1)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3082169,CoCoCo_3082166	372.304	NTUVCIAKSQXKPM-HJWRWDBZSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095649
O=C(CSc1nnc2n1CCCCC2)c1ccc(Br)s1	ZINC22_6098346,EMOLS-id_11871862,PC-id_7877531,CoCoCo_3082165,MCULE-1100367448	372.304	KWJANUVEHVOBSM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095650
O/C(=C/Sc1nnc2n1CCCCC2)/c1sccc1Br	CoCoCo_4924654,CoCoCo_4924653	372.304	DHSJXAQPYBPNFJ-CSKARUKUSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095651
O/C(=CSc1nnc2n1CCCCC2)/c1sccc1Br	CoCoCo_4924655,CoCoCo_4924652	372.304	DHSJXAQPYBPNFJ-NTMALXAHSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095652
O=C(CSc1nnc2n1CCCCC2)c1sccc1Br	PC-id_43654808,MCULE-1286813118,EMOLS-id_44123281,ZINC22_36882323,CoCoCo_4924651	372.304	MTBZQDMOTPMKHB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-095653
Fc1ccc(c(c1)OCC(F)(F)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278147904	372.317	PPQAMJROCRBRRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095654
BrCC1(CCOCC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_106304774	372.32	SVTITTHGRXRGAQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-095655
Clc1cc(C[NH+](Cn2nc3n(CCCCC3)c2=S)C)ccc1Cl	PC-id_8227455	372.336	SKFSYIKIQFHXLW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-095658
C[N@@H+](Cn1nc2n(c1=S)CCCCC2)Cc1cccc(c1Cl)Cl	GD-id_ZINC16352472	372.336	IESLQKZQAOCJGX-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-095659
COC(=O)Cc1ccc2-c(cc1)ccc2C(=O)c1ccc(cc1)C(F)(F)F	PC-id_145991396	372.337	RDTYOBWFAPSNQF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-095660
Cc1nnnn1c1cc(NC(=O)N[C@H]2CCc3nnnn3CC2)ccc1F	ZINC22_421056610	372.36	TXZDRRKCNCMZTO-JTQLQIEISA-N	00000000100000110101100000000010000000000000000000000000	31-01-095661
Cc1nnnn1c1cc(NC(=O)N[C@@H]2CCc3nnnn3CC2)ccc1F	ZINC22_421056618	372.36	TXZDRRKCNCMZTO-SNVBAGLBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095662
O=C(Nc1ccc(c(c1)n1nnnc1C)F)NC1CCn2c(CC1)nnn2	MCULE-7829471854,EMOLS-id_320400222,PC-id_145897861	372.36	TXZDRRKCNCMZTO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095663
BrCCC(C(C)(C)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_106356136	372.363	FDLJGLNNQJAJSO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-095664
BrC(CC(C)(C)C)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_107156733	372.363	YZQWEMOVFWYHDO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-095665
BrCCCC(CNC(=O)c1cc2c(s1)CCCCC2)(C)C	PC-id_106145468	372.363	BCGIOUMDQWREGG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-095666
BrCCN(C(CC)CC)C(=O)c1sc2c(CCCCC2)c1	PC-id_80670550	372.363	RJETVWLRRLFAGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-095667
CCC(C(CNC(=O)c1cc2c(s1)CCCCC2)Br)CC	PC-id_106288117	372.363	AAZRFCGZBNZSJU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-095668
CCCC(CNC(=O)c1cc2c(s1)CCCCC2)CCBr	PC-id_106118052	372.363	SBWQVDQIJPTSFZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-095669
CCC(CNC(=O)c1cc2c(s1)CCCCC2)(CBr)CC	PC-id_106255384	372.363	PORJRPWAPHXYDL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-095670
BrCC1(CCCCCC1)CSc1n2CCCCCc2nn1	PC-id_65010653	372.367	GZZVTVFDJJXLTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095671
Fc1ccc(c(c1)F)c1cc(n(n1)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101262853	372.369	DFEYWRYZJSJGTO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095672
c1(C(=O)Nc2n[nH]c(Cc3cc(F)cc(F)c3)n2)c2CCCCCc2n[nH]1	EMOLS-id_50231473,PC-id_91640431,STOCK7S-50289,EMOLS-id_54882046,MCULE-5433068862	372.372	GPEIAYLYBMRKCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095673
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Nc1ccc2c(OCO2)c1	EMOLS-id_43091697,MCULE-5658120031,PC-id_70725124,ZINC22_72418262	372.375	VVBDRLAKGJZSGX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095674
c12CN(CCCn1nc(CNC(=O)CCC(F)(F)F)c2)C(=O)C1CCC1	EMOLS-id_44433115,ZINC22_82107290,PC-id_70732073,MCULE-2052429247	372.385	RMNINKDFZASPFH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-095675
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)N2CCNC(=O)C2CC)n1	SYN-22967088,EMOLS-id_30450889,PC-id_46977917,MCULE-2304209339	372.385	LXPPLPXRCKKELL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095676
CC[C@H]1C(=O)NCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2	PC-id_92614010,CoCoCo_507568,ZINC22_19661975	372.385	LXPPLPXRCKKELL-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095677
NC(c1cc(c(s1)Cl)Br)c1cc2c(s1)CCCCC2	PC-id_102828077	376.763	KLSNRKDIUBOJRB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-099562
CC[C@@H]1C(=O)NCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2	ZINC22_19661977,CoCoCo_507567,PC-id_92614011	372.385	LXPPLPXRCKKELL-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095678
CS(=O)(=O)N(Cc1cc(F)ccc1F)Cc1nnc2n1CCOCC2	MCULE-9735962822,EMOLS-id_316761780,ZINC22_1615548088	372.39	BJLSCIPCKRZQIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095679
c1(C(=O)N2CCCC2)cc2n(CCCN(C(=O)c3ccc(c(O)c3)F)C2)n1	MCULE-4796116848,ZINC22_65371523,EMOLS-id_32370794,PC-id_50949603	372.393	MGYCEVOQWJNTPJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095680
c1(C(=O)NC2CC2)cc2n(CCCN(C(=O)C(O)c3ccc(cc3)F)C2)n1	EMOLS-id_32375298,MCULE-4675383438,PC-id_50951904	372.393	BDJCCVSJROAJKU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-095681
COc1cccc(NC(=O)c2ncn3c2CN(C(=O)C2(F)CC2)CCC3)c1	ZINC22_1565552584,EMOLS-id_313788730	372.393	NWWHKKLEUOFYBL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-095682
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)N1CCOCC1	MCULE-6288167867,EMOLS-id_30600624,PC-id_50797866	372.393	UHJCARWKZPCCMQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095683
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)C2CCOC2)c1	EMOLS-id_313765833	372.393	PXCPDAJSVBTJAK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095684
O=C(c1ccc(F)cc1)C1CN(C(=O)Cn2nc3n(c2=O)CCCCC3)C1	MCULE-2315052298,ZINC22_1875311614,EMOLS-id_324040266,PC-id_146099597	372.393	HEDCXAGKSYOPHH-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-095685
O=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)[C@@H](O)c1ccc(F)cc1)C2	PC-id_95121352,ZINC22_65374718	372.393	BDJCCVSJROAJKU-KRWDZBQOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-095686
O=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)[C@H](O)c1ccc(F)cc1)C2	PC-id_95121353,ZINC22_65374719	372.393	BDJCCVSJROAJKU-QGZVFWFLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-095687
O=C(Nc1cccc(F)c1)c1cnn2c1CN(C(=O)[C@H]1CCOC1)CCC2	ZINC22_1565556217	372.393	PXCPDAJSVBTJAK-ZDUSSCGKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095688
O=C(Nc1cccc(F)c1)c1cnn2c1CN(C(=O)[C@@H]1CCOC1)CCC2	ZINC22_1614940847	372.393	PXCPDAJSVBTJAK-CYBMUJFWSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095689
Fc1cc2[nH]c(nc2cc1)COCC(=O)NCc1nn2CCCNCc2c1	EMOLS-id_44429263,PC-id_70721265,MCULE-3746865769	372.397	QTGYJIJSSMRQOM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095690
Fc1ccc(CC(=O)N2CCc3nnc(CN4CCCC4=O)n3CC2)nc1	EMOLS-id_313726427,ZINC22_1565549010	372.397	LFNUUPRSDHGAIE-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-095691
s1c2CCCCCc2c(c1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C#N	PC-id_38895718	372.398	RTXXKIDPULTJSV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-095692
s1c2CCCCCc2c(c1NC(=O)COc1c(nccc1)[N+](=O)[O-])C#N	PC-id_27968652	372.398	UZDXEOOQIXYRMT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-095693
O=C(NCc1ccco1)c1ncn2c1CN(C(=O)c1csnn1)CCC2	EMOLS-id_313787963,ZINC22_1565553152	372.402	MATAFUHISBDSTJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-095694
S(c1n2CCCCCc2nn1)Cc1oc(nn1)c1ccc([N+](=O)[O-])cc1	PC-id_7876693	372.402	MYBMLLJFHDLEAS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095695
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nc(c1C)C	PC-id_19523835	372.408	PJBBAZJFJCKJOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095696
N#Cc1c(NC(=O)COC(=O)c2ccccc2F)sc2c1CCCCC2	PC-id_4785379,MCULE-8455467644,ZINC22_5117904,EMOLS-id_43765808,CoCoCo_3045836	372.413	DJQFBZARNAGLPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095697
N#Cc1c(NC(=O)COC(=O)c2cccc(F)c2)sc2c1CCCCC2	MCULE-6221435150,CoCoCo_2926975,PC-id_3458875,EMOLS-id_3103733,ZINC22_6828854	372.413	AEPKYJYWCWCOQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095698
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccccc2C#Cc1ccccc1)CC	PC-id_12353946	372.413	WJSPXXLYQINYAU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-095699
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(cc2)C#Cc1ccccc1)CC	PC-id_12599383	372.413	LQUFFLQUTKNEKF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-095700
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(F)cc1)C#N	PC-id_7478267	372.413	CKOMYMVYMQGCKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095701
CCCc1c2-c(c(c1NC(=O)C)C(=O)OCC)ccc(cc2)CC(=O)NO	PC-id_141580559	372.415	SJTFRBACELLBDI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095702
COc1ccccc1CC(C(=O)O)CNC(=O)c1noc2c1CCCCC2	PC-id_120533138,EMOLS-id_57635451,MCULE-5798271093	372.415	GHHPNBMDXCBZHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095703
COc1cccc(c1)C(NC(=O)c1noc2c1CCCCC2)(CC(=O)O)C	MCULE-2346526813,PC-id_121972437,EMOLS-id_72653771	372.415	WOHHDSYALMJBDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095704
FC(Cc1ccccc1)(CN1CCC(C1)NC1=NCC=Nc2c1cn[nH]2)F	PC-id_143312060	372.415	GZBQTXWZJHUOBI-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-095705
O(c1c2-c(c(CCC)c1NC(=O)C)c(cc(cc2)C(=O)NOCC)C)C=O	PC-id_57221967	372.415	ONNVVXVJTBLFFE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095706
OC(=O)CCCOc1ccc(cc1)CNC(=O)c1noc2c1CCCCC2	PC-id_120527482,MCULE-8845856894,EMOLS-id_57621845	372.415	IDHDGPADBXQQSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095707
O=C1c2c([nH]c(Cc3ccc(cc3)c3ccc(cc3)C(=O)C)c2)C(=O)NCC1	PC-id_56970448	372.416	PSYOOWAEJZAJGQ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-095708
Cc1ccc(F)cc1c1n[nH]c(=NC(=O)N2CCCc3occc3C2)s1	EMOLS-id_177232282,MCULE-1547710863,ZINC22_585083914	372.417	BXYZMGUQKCADCF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095709
Cc1nc(C(=O)N2Cc3cccn3C[C@H](Oc3ncccc3F)C2)cs1	ZINC22_248054754	372.417	UDZIVLJTFQCZEW-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095710
Cc1nc(C(=O)N2Cc3cccn3C[C@@H](Oc3ncccc3F)C2)cs1	ZINC22_248054761	372.417	UDZIVLJTFQCZEW-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095711
Cc1nc(cs1)C(=O)N1CC(Cn2cccc2C1)Oc1ncccc1F	EMOLS-id_50376359	372.417	UDZIVLJTFQCZEW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095712
O=C(N=c1[nH]nc(Cc2cccc(F)c2)s1)N1CCCc2occc2C1	MCULE-6533493129,EMOLS-id_177246750,ZINC22_585083920	372.417	DNIYSVZYBJEMDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095713
O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1noc2c1CCCCC2	ZINC22_153060843	372.417	KZLQTABMCVPMCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095714
O=C(N[C@@H]1CNCc2nccn2C1)c1ccc(Oc2ccc(F)cc2)s1	ZINC22_2325857018	372.417	MFHSZRCZDNZJTR-CYBMUJFWSA-N	00000000100100110101000000000010000000000000000000000000	31-01-095715
O=C(N[C@H]1CNCc2nccn2C1)c1ccc(Oc2ccc(F)cc2)s1	ZINC22_2325857019	372.417	MFHSZRCZDNZJTR-ZDUSSCGKSA-N	00000000100100110101000000000010000000000000000000000000	31-01-095716
O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCn2c(C1)cnc2	PC-id_143775151	377.284	BVHVFGLNMJRCSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099663
c12CCN(CCc1[nH][nH]c2=O)C(=O)Nc1ccccc1OCC1CCCO1	PC-id_118793646,MCULE-6071598388,EMOLS-id_68937258	372.418	FAVBHBFBMYDRQS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095717
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)c1ccc(OC)o1	ZINC22_91603968,MCULE-6905124970,EMOLS-id_46054323,PC-id_72878274	372.418	UKZDGBKCJMRURJ-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-095718
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Nc1ccccc1OCC	PC-id_70780734,ZINC22_72478637,EMOLS-id_43173488,MCULE-9592707757	372.418	BNRQOPJEUYJMFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095719
c12CN(CCCn1nc(CNC(=O)c1ccc(CO)o1)c2)C(=O)C1CCC1	EMOLS-id_44432373,ZINC22_82106789,PC-id_70729993,MCULE-9116803711	372.418	MREHPIYTCBKCEL-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-095720
c12CN(CCCn1nc(CNC(=O)c1ccc(OC)o1)c2)C(=O)C1CCC1	ZINC22_82134039,PC-id_70760782,MCULE-2404778234,EMOLS-id_44443107	372.418	UVGQCGJEZYHMKF-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-095721
c12CN(CCCn1nc(CNC(=O)COc1cccc(OC)c1)c2)C(=O)C	ZINC22_82098240,PC-id_70722986,EMOLS-id_44429877,MCULE-4128667663	372.418	YWQQYTPURURNOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095722
c12C(=O)NCC(O)Cn1nc(C(=O)NCCc1ccc(cc1)OC(C)C)c2	EMOLS-id_82719103,MCULE-9585585630,PC-id_119065760	372.418	LOEMDUPEPDYLNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095723
c12C(=O)NCC(O)Cn1nc(C(=O)N(C)CCCOc1ccccc1C)c2	PC-id_91830768,EMOLS-id_55618724,MCULE-4021249401	372.418	WTALNVQFASTBAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095724
c12C(=O)NCC(O)Cn1nc(C(=O)N(CCOC)Cc1ccccc1C)c2	PC-id_91838221,MCULE-4065177027,EMOLS-id_55670415	372.418	MOGVEWVVAHJGBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095725
c1(C(=O)NCc2cc(OC)cc(OC)c2)cc2n(CCCN(C(=O)C)C2)n1	ZINC22_65386488,MCULE-1179466704,EMOLS-id_32384630,PC-id_50956832	372.418	SJBKVXYRRGAOPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095726
c1(C(=O)OC)cc2n(CCCN(C(=O)c3ccc(CN4CCCC4)o3)C2)n1	EMOLS-id_32393586,ZINC22_65397975,PC-id_50961532,MCULE-5993336756	372.418	UDTHXILXZYFZSG-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-095727
Cc1cc(c(c(c1)C)OCCNC(=O)c1nn2CC(CNC(=O)c2c1)O)C	PC-id_135091873	372.418	OBKIRWHDAAUHJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095728
Cc1ccccc1OCCCN(C)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244873619	372.418	WTALNVQFASTBAX-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095729
Cc1ccccc1OCCCN(C)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244873620	372.418	WTALNVQFASTBAX-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095730
CCc1cc(ccc1)OCCN(C)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135108409	372.418	QBIJPLLNXLKWEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095731
CCCc1ccc(cc1)OCCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135093764	372.418	XIIGGBBUQMTRLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095732
CC(C)Oc1cccc(c1)CCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135111275	372.418	SEZAKXUNRYYQKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095733
CCCOc1ccccc1CCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135114754	372.418	YTNQJSTYGZRBFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095734
CC(C)Oc1ccc(CCNC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)cc1	ZINC22_426503178	372.418	LOEMDUPEPDYLNY-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095735
CC(C)Oc1ccc(CCNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)cc1	ZINC22_426503180	372.418	LOEMDUPEPDYLNY-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095736
CCN(Cc1ccc(cc1)OCC)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135110193	372.418	IVOXCLIUNPGBLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095737
CCN(CCOc1ccccc1C)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135104087	372.418	NZGLRZRHRAPPNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095738
CCOc1ccccc1CCCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135089553	372.418	WOLUPHLRKKWUPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095739
CCOc1ccc(cc1)CCCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135103702	372.418	ZQAUGKOLIDXETB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095740
CC(=O)NCC(=O)N1Cc2c(C)nn(c2OCC1COc1ccccc1)C	PC-id_146160633,EMOLS-id_323936751	372.418	HYSHISBFCYBBNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095741
CNCCN1COOCc2c1nc(n2C)C#Cc1ccc(c(c1)OC)OC	PC-id_117669588,SCHEMBL16199467	372.418	WWBHDQGKJVODOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095742
CN(C)C(=O)COC1CN(Cc2ccc3OCOc3c2)Cc2ccnn2C1	EMOLS-id_50011442	372.418	KEULHZYMPPFQCY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095743
CN(C)C(=O)CO[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_247984171	372.418	KEULHZYMPPFQCY-INIZCTEOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095744
CN(C)C(=O)CO[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_247984176	372.418	KEULHZYMPPFQCY-MRXNPFEDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095745
COc1cc(C(=O)C)ccc1OCC(=O)NCc1nnc2n1CCCCC2	ZINC22_40012911,MCULE-7365853578,EMOLS-id_30238383,PC-id_45859656	372.418	NZRWBCYJLKKYNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095746
COc1cc(OC)ccc1NC(=O)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_316377595,MCULE-8708081994	372.418	ASGLWIWDZWTHKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095747
COc1nn(c2c1CCCN(C2)C(=O)CNC(=O)OCc1ccccc1)C	PC-id_97404595	372.418	XDWDBTVAICILEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095748
COCCN(Cc1ccccc1C)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244724134	372.418	MOGVEWVVAHJGBO-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095749
COCCN(Cc1ccccc1C)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244724135	372.418	MOGVEWVVAHJGBO-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095750
COCC(=O)NCC1CN(Cc2ccc3OCOc3c2)Cc2ccnn2C1	EMOLS-id_50372609	372.418	JSALUIGMWSLONH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095751
COCC(=O)NC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_247826949	372.418	JSALUIGMWSLONH-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095752
COCC(=O)NC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_247826954	372.418	JSALUIGMWSLONH-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095753
COC(=O)c1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)OC(C)C	EMOLS-id_278129338	372.418	UWZVIPXYIWTXCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095754
COC(=O)c1cccc(CCNC(=O)Cn2nc3n(c2=O)CCCCC3)c1	ZINC22_92032743,PC-id_75438850,MCULE-5314841289,EMOLS-id_48307388	372.418	AWWOIQFYCYNPEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095755
COC(=O)c1ccc(NC(=O)CCc2cc3CNCCCn3n2)cc1OC	ZINC22_72425240,MCULE-4768888441,PC-id_70734570,EMOLS-id_43108725	372.418	DJYMGZIKYOAAEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095756
OC1(CC(=O)N2CCCn3cnc(C(=O)NCc4ccco4)c3C2)CCC1	ZINC22_1565553052,EMOLS-id_313787707	372.418	ILTUYJAMSUJMGP-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-095757
O=C(c1noc2c1CCCCC2)N1CCC(CC1)n1ncc(c1C)C(=O)O	PC-id_121971527	372.418	MNCMDZVYANWHDI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-095758
OCC(C(=O)N1CCCc2c(C1)cnn2C)NC(=O)OCc1ccccc1	MCULE-3776528192,EMOLS-id_258104130	372.418	RNEZODOYKULVPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095759
O=C(Nc1ccccc1OC[C@H]1CCCO1)N1CCc2[nH][nH]c(=O)c2CC1	ZINC22_299791935	372.418	FAVBHBFBMYDRQS-CYBMUJFWSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095760
O=C(Nc1ccccc1OC[C@@H]1CCCO1)N1CCc2[nH][nH]c(=O)c2CC1	ZINC22_299791950	372.418	FAVBHBFBMYDRQS-ZDUSSCGKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095761
OC(=O)COc1cccc(c1)C(=O)NCCCc1nnc2n1CCCCC2	MCULE-8286419087,PC-id_119186768,EMOLS-id_72038575	372.418	VOSSVGBWCYKLBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095762
c12CN(CCCn1nc(C#N)c2)C(C(=O)O)c1cccc(c2ccccc2)c1	EMOLS-id_316268633,MCULE-4549269379	372.42	CKMKNCVMUSWPCS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095763
N#Cc1cc2n(n1)CCCN([C@H](C(=O)O)c1cccc(c3ccccc3)c1)C2	ZINC22_1506425097	372.42	CKMKNCVMUSWPCS-NRFANRHFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095764
N#Cc1cc2n(n1)CCCN([C@@H](C(=O)O)c1cccc(c3ccccc3)c1)C2	ZINC22_1506425100	372.42	CKMKNCVMUSWPCS-OAQYLSRUSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095765
N#Cc1cccc(C(=O)N2Cc3cccn3C[C@H](OCc3ccncc3)C2)c1	ZINC22_585095501	372.42	UKPBGSGZCPDPJC-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-095766
N#Cc1cccc(C(=O)N2Cc3cccn3C[C@@H](OCc3ccncc3)C2)c1	ZINC22_585095502	372.42	UKPBGSGZCPDPJC-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-095767
N#CC(=Cc1ccc(o1)c1ccc(cc1)C(=O)C)c1nnc2n1CCCCC2	PC-id_4137359,MCULE-8289808870,EMOLS-id_44488192	372.42	ARQJWATYKNCVNF-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-095768
N#C/C(=Cc1ccc(o1)c1ccc(cc1)C(=O)C)/c1nnc2n1CCCCC2	PC-id_6018959,CoCoCo_3456434	372.42	ARQJWATYKNCVNF-QGOAFFKASA-N	00000000101000110101100000000010000000000000000000000000	31-01-095769
N#C/C(=C/c1ccc(o1)c1ccc(cc1)C(=O)C)/c1nnc2n1CCCCC2	PC-id_75362038,CoCoCo_3456435	372.42	ARQJWATYKNCVNF-AQTBWJFISA-N	00000000101000110101100000000010000000000000000000000000	31-01-095770
O=C(N1CC(Cn2cccc2C1)OCc1ccncc1)c1cccc(c1)C#N	EMOLS-id_313747891	372.42	UKPBGSGZCPDPJC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-095771
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1cc(C(C)C)nc(N)n1	ZINC22_72408386,PC-id_56887596,EMOLS-id_43079695,MCULE-4351012000	372.422	UMTAQEHRRAPKJW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-095772
c12CN(CCCn1nc(CNC(=O)c1ccnc(OC)c1)c2)C(=O)N(C)C	MCULE-5502931838,ZINC22_82157310,EMOLS-id_44449795,PC-id_70780046	372.422	OWAJASYNJVPSTI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095773
c1(cc(n(CCOC)c1C)C)C(=O)N1CCn2c(nn(CC#N)c2=O)CC1	EMOLS-id_97099347,MCULE-3644538359	372.422	OGVKAQPYYFLPTI-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-095774
O=C(NCCc1cnc[nH]1)c1cn2c(n1)CCN(C(=O)[C@H]1CCCO1)CC2	ZINC22_1875250754	372.422	FCRFPQPAIWQMIK-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095794
c1(C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)n[nH]c2CCN(C)Cc12	EMOLS-id_43144274,PC-id_70757917,ZINC22_72454152,MCULE-7503923347	372.422	HGUSFHBRGHACPB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-095775
c1(C(=O)N2CCCN(CC2)C(=O)c2cc(on2)C)nnc2CCCCCn12	PC-id_134711485,ZINC22_1529184732,EMOLS-id_316229381,MCULE-8744492163	372.422	GBIMQCDAFQTHCG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095776
c1(C(=O)NCCc2c[nH]cn2)cn2c(CCN(C(=O)C3CCCO3)CC2)n1	EMOLS-id_331148095,MCULE-8640133560	372.422	FCRFPQPAIWQMIK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095777
c1(C(=O)NCCN(C)C)cc2n(CCCN(C2)C(=O)c2c(cccn2)O)n1	MCULE-5052488441,EMOLS-id_32389362,ZINC22_65395232,PC-id_50959302	372.422	JFLFTBCUEWZTOS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095778
c1(C(=O)N[C@@H]2CC[C@H](CC2)O)cn2c(CCN(CC2)C(=O)c2cc[nH]n2)n1	ZINC22_1875243721,MCULE-6345936676,EMOLS-id_331093265	372.422	ULPFTMGGAYCQHO-JOCQHMNTSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095779
c1(C(=O)N)c(=O)[nH]c(c(NC(=O)CCc2cc3n(CCCNC3)n2)c1C)C	ZINC22_72475079,MCULE-3557525928,PC-id_70773253,EMOLS-id_43163950	372.422	KHJDCXZVTAKSML-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095780
c1(C(=O)OC)cc2n(CCCN(C(=O)c3cc(CC(C)C)nc(N)n3)C2)n1	PC-id_50955403,ZINC22_65383991,MCULE-1228196050,EMOLS-id_32381954	372.422	NMVSQZJGWOMSLX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-095781
Cc1ccc(C(=O)N2Cc3ncnn3C[C@H](C(=O)N3CCN(C)CC3)C2)o1	ZINC22_1565550095	372.422	PDACESCLYYNDIP-CQSZACIVSA-N	00000000101010000101000000000010000000000000000000000000	31-01-095782
Cc1ccc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)N3CCN(C)CC3)C2)o1	ZINC22_1614936827	372.422	PDACESCLYYNDIP-AWEZNQCLSA-N	00000000101010000101000000000010000000000000000000000000	31-01-095783
Cc1noc(CC(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)n1	ZINC22_585110599,EMOLS-id_313781705	372.422	DZJGWODXIWQCKK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-095784
CN1CCN(CC1)C(=O)C1CN(Cc2ncnn2C1)C(=O)c1ccc(C)o1	EMOLS-id_313722584	372.422	PDACESCLYYNDIP-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-095785
CN(C)c1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1[N+](=O)[O-]	EMOLS-id_24101018,CoCoCo_4643945,PC-id_25348531,MCULE-7091097776,ZINC22_12544959	372.422	WJJQDFNTQQCFGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095786
CN(C)C(=O)NCc1ncn2c1CN(C(=O)c1cccc(=O)n1C)CCC2	ZINC22_2055718049,EMOLS-id_313732829	372.422	YDHLOQXEZYDJQM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095787
O=C(N1CCCn2c(C1)cc(n2)CNC(=O)C(=O)c1cccn1C)N(C)C	PC-id_102602792	372.422	UXUXFWOSHMYHIV-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-095788
O=C(NC1=C(C(C(=O)N=C1C)C(=O)N)C)CCc1nn2CCCNCc2c1	PC-id_78087425	372.422	GZIWRNLEDACPOD-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-095789
O=C(N(c1ccnnc1)CC1CCCO1)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_319722286	372.422	NJXABNVJCYGKRA-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-095790
O=C(NCc1n2CCCCCc2nn1)CCCNc1ccc([N+](=O)[O-])cc1	PC-id_24676676	372.422	MKTMRQFZCRYAQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095791
O=C(NCc1nn2CCCN(Cc2c1)CC(C)C)CC1=CC(=O)N=NC1=O	PC-id_77850594	372.422	SMSKFQFPJVEYHA-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-095792
O=C(NCCc1cnc[nH]1)c1cn2c(n1)CCN(C(=O)[C@@H]1CCCO1)CC2	ZINC22_1875250753	372.422	FCRFPQPAIWQMIK-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095793
O=C(NCCc1n2CCCCCc2nn1)CCNc1c([N+](=O)[O-])cccc1	PC-id_55536103	372.422	HVAYVTUUKRJIQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095795
c1(ccc2n(ccn2)c1)C(=O)N1CCn2c(CC1)nc(Cc1ccccc1)n2	MCULE-5947398323,ZINC22_2356170953,EMOLS-id_337777308	372.423	FMXSMRPDBMIARZ-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-095796
FC(F)(F)/C(=C/C=O)/C=C/C=C/c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_57983850,SCHEMBL10001477	372.423	AZCPDCDPKWITPS-SMQUEQPASA-N	00000010100000000110000000000010000000000000000000000000	31-01-095797
FC(F)(F)C(=CC=O)C=CC=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_76695596	372.423	AZCPDCDPKWITPS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095798
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)c1ccc(nc1)C#N	EMOLS-id_36438122,ZINC22_67787399,PC-id_56709142,MCULE-4561706900	372.423	BRLMQEROQCQNRZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-095799
O=C/C=C(C(F)(F)F)/C=C/C=C/c1cc(c2-c1c(C)cc(cc2)C(C)C)C	PC-id_101387742	372.423	SLMYHCKPXKAWRJ-FGOHGBAJSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095800
c1(C(=O)NC2CCN(CC2)c2cc(=O)[nH]c(N)n2)nnc2CCCCCn12	PC-id_136930344,EMOLS-id_82718757,ZINC22_426498355,MCULE-9359246740	372.425	BDHOWHJRTKGSDK-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-095801
Cn1cc2c(n1)CC[C@@H](C(=O)N2C)Nn1cc2c(n1)CC[C@H](C(=O)N2C)N	PC-id_135130108,SCHEMBL20275905	372.425	JVMBJFFFSBPILM-MFKMUULPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095802
n12CCC(CCc1nn(CC(=O)N1CCN(CC1)c1ncccn1)c2=O)N	EMOLS-id_50590570,MCULE-7734077158,PC-id_91910894	372.425	CZESGLYMCFUBRY-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-095803
O=C(NC1CCN(C1=O)c1cnn(c1)C)NCc1nnc2n1CCCCC2	EMOLS-id_99364279	372.425	FOIYUYBUZQHXSO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-095804
C[C@@H](CN1CCCC1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2	PC-id_92614012,ZINC22_19661981,CoCoCo_507563	372.428	LHSHJNGZLLNZLU-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095805
C[C@H](CN1CCCC1)NC(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2	PC-id_92614013,ZINC22_19661983,CoCoCo_507564	372.428	LHSHJNGZLLNZLU-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095806
CC(NC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)CN1CCCC1	SYN-22967054,PC-id_46977915	372.428	LHSHJNGZLLNZLU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095807
Fc1ccc(cc1)C1(CCOCC1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100116189	372.433	XXZCCJXYSMAYRQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095808
Fc1cccc(c1)CN(C(=O)c1noc2c1CCCCC2)CC1CCCO1	EMOLS-id_100094469	372.433	ZRWGHBKSVGAHRC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095809
c12C(=O)N(CCCn1nc(C(=O)NCCC(C)C)c2)Cc1cccc(F)c1	MCULE-2576267375,PC-id_53034531,EMOLS-id_32632968	372.437	NXZVIJIDBWPQDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095810
c1(cn2c(CCNCC2)n1)C(=O)N1CCCC(COc2ccccc2F)C1	MCULE-3358350351,EMOLS-id_330433359	372.437	PVJAENLJADHDQV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095811
c1(C(=O)N2CCC(CC2)(O)c2ccc(cc2)F)cc2n(CCCN(C)C2)n1	MCULE-2343972192,EMOLS-id_32414526,ZINC22_65452631,PC-id_50972671	372.437	PXHNCAVIYWAOCT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095812
c1(C(=O)NCC2(CCOCC2)c2cccc(F)c2)nnc2CCCCCn12	PC-id_91775432,ZINC22_219990542,EMOLS-id_55646476,MCULE-9650067283	372.437	YBFJLCLSCVGAND-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095813
CC1(C)Cc2n[nH]cc2CN(C(=O)Nc2cc(F)ccc2OCC2CC2)C1	EMOLS-id_177303794,ZINC22_585098051,MCULE-2043671095	372.437	IPUPRCVRBPAOJY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-095814
Cc1ccc(CNC(=O)c2ncn3c2CN(C(=O)CCF)CCC3)cc1C	EMOLS-id_313786936,ZINC22_1565551511	372.437	GORXUBWBLMSDBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095815
Fc1ccc(C2OCCN(C2)C(=O)CCc2nn3c(CNCCC3)c2)cc1	PC-id_70721775,EMOLS-id_43085693,MCULE-9328172405	372.437	ZVOUBDYQHNXYFD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095816
Fc1ccc(cc1)C1(CCOCC1)C(=O)NCc1cc2CNCCCn2n1	MCULE-6586932726,EMOLS-id_44444739,PC-id_70765605,ZINC22_82137133	372.437	ZBARTRNFHYBVFG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095817
Fc1ccc(cc1)C1OCCC(C1)N(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316727771	372.437	AUFFAUXIAHDBGK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095818
Fc1ccc(cc1)C1OCCC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101686271	372.437	LVCSYQBYLAINII-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095819
Fc1ccc(cc1)CC1(CCOCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278168962	372.437	KBTRDQCVQVSKNI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095820
Fc1cccc(c1)CC1(CCOCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316733921	372.437	IPRWLDASQBWXLG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095821
Fc1cccc(c1)CC1(O)CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	MCULE-9274388728,EMOLS-id_320311429	372.437	BJODPJIOULFSLC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095822
Fc1ccc(cc1)[C@H]1OCCN(C1)C(=O)CCc1nn2c(c1)CNCCC2	PC-id_95862178	372.437	ZVOUBDYQHNXYFD-IBGZPJMESA-N	00000000100010110101100000000010000000000000000000000000	31-01-095823
Fc1ccc(cc1)[C@@H]1OCCN(C1)C(=O)CCc1nn2c(c1)CNCCC2	PC-id_95862179	372.437	ZVOUBDYQHNXYFD-LJQANCHMSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095824
Fc1ccc(cc1)CN(C(=O)C1CCn2c(CC1)nnc2)C1CCOCC1	EMOLS-id_316729339	372.437	SRVYBDHFJMSYQR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095825
Fc1cccc(Cn2nc3CCCCC(C(=O)NC4CCCC4)n3c2=O)c1	MCULE-1679017573,EMOLS-id_207869767	372.437	NGGKMLJPTHSVNB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095826
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(C)C)cc1	PC-id_50797881	372.437	ZDZZTGMOQPDADJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095827
O=C(c1cn2c(n1)CCNCC2)N1CCC[C@H](COc2ccccc2F)C1	ZINC22_1857734353	372.437	PVJAENLJADHDQV-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095828
O=C(c1cn2c(n1)CCNCC2)N1CCC[C@@H](COc2ccccc2F)C1	ZINC22_1857734355	372.437	PVJAENLJADHDQV-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095829
O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1n[nH]c2c1CCCCC2	PC-id_119045817,EMOLS-id_75979443,ZINC22_190386016,MCULE-8243974415	372.437	DGHHGUCRNHNNQW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095830
O=C(NCc1nnc2n1CCCCC2)C1(c2ccc(F)cc2)CCOCC1	PC-id_138996381,MCULE-1005916516,ZINC22_57196330,EMOLS-id_320297718	372.437	GRNUFISTDZOBSZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095831
c1(NC(=O)c2ccc3c(OCO3)c2)sc2c(CCCCCC2)c1C(=O)N	TIMTEC137599,PC-id_2165801,EMOLS-id_2196419,CoCoCo_897412,MCULE-8892184622,ZINC22_2749890,SPECS-id_AK-968/13411262	372.438	DZGCPWCXQSVSOZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095832
c1(NC(=O)c2cccc(c2)NC(=O)C)sc2c(CCCCC2)c1C(=O)O	EMOLS-id_179129757,PC-id_28860515,MCULE-4609311725	372.438	VBFROVLWMMDNLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095833
Cc1ccccc1NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(=O)O	PC-id_137654256	372.438	UIVXWYKGSTZLJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095834
Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)o1	PC-id_2445432,ZINC22_3329442,MCULE-1394891997,CoCoCo_2982563,EMOLS-id_3125695	372.438	VBFROQAMNQQKEW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-095835
N#Cc1c(NC(=O)COC(=O)CCc2ccco2)sc2c1CCCCC2	PC-id_32291733,EMOLS-id_31309146,ZINC22_24981870,MCULE-5657319926	372.438	CPYWAIVNTLXOIW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-095836
NC(=O)c1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1	PC-id_2669525,CoCoCo_2861438,MCULE-6186511341,ZINC22_3552478,EMOLS-id_3508590	372.438	FOPMAQIDGHTNLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095837
OC(=O)CNC(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_50927363,MCULE-2388204504	372.438	YSJQVPZBCHOUTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095838
s1c2CCCCCc2cc1C(=O)NN=Cc1cc2OCOc2c(OC)c1	PC-id_78620827	372.438	UVPCNQZJISQVJL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095839
s1c2CCCCCc2cc1C(=O)NN=Cc1ccc(OCC(=O)O)cc1	PC-id_78620789	372.438	BXWMOJIKVVALOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095840
s1c2CCCCCc2cc1C(=O)NN=Cc1c(OCC(=O)O)cccc1	PC-id_78620860	372.438	RUCIUBKDSPYCIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095841
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(cc1)C(=O)OC	PC-id_9301238	372.438	ZZBSKJOHNBFDAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095842
s1c2CCCCCc2cc1C(=O)OCc1oc(nn1)c1c(oc(c1)C)C	PC-id_8187910	372.438	QUTDDWGAOVHEBQ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-095843
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(cccc1)C(=O)N	PC-id_7352152	372.438	QVQBJTKYMZYKSF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095844
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)Nc1ccccc1	PC-id_8254614	372.438	ICKIREUAQQRJLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095845
s1c2CCCCCc2cc1C(=O)OCC(=O)NNC(=O)c1ccccc1	PC-id_7351948	372.438	PODXTRFNJCIPMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095846
s1c2c(CCCCC2)c(c1NC(=O)c1ccccc1)C(=O)NC(=O)OC	PC-id_7521861	372.438	KUQVXDAWOLZFBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095847
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C(=O)OC)C(=O)N	PC-id_60388322	372.438	UUPSATJIFVNMTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095848
s1c2c(CCCCC2)c(c1NC(=O)Cc1cc2OCOc2cc1)C(=O)N	PC-id_41107753	372.438	UYBIYLFKAPXZJA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095849
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1c(occ1)C)C)C#N	PC-id_9384724	372.438	UKHQASZDHQBZBB-LBPRGKRZSA-N	00000000101000000100000000000010000000000000000000000000	31-01-095850
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1c(occ1)C)C)C#N	PC-id_9384725	372.438	UKHQASZDHQBZBB-GFCCVEGCSA-N	00000000101000000100000000000010000000000000000000000000	31-01-095851
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(occ1)C)C)C#N	PC-id_55425144	372.438	UKHQASZDHQBZBB-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-095852
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1oc(cc1)C)C)C#N	PC-id_55420930	372.438	VGYQEPGBUKEAFR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-095853
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c2OCOc2ccc1	PC-id_55836344	372.438	IPBDUVOPMCGINN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095854
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc2OCOc2cc1	PC-id_9441651	372.438	MAMQZOGJFRAECB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-095855
c12nnnn1CCCCC2C(=O)N1CCCN(Cc2cccc(F)c2)CC1	EMOLS-id_49669714,MCULE-7794408195,PC-id_74245205	372.44	CXMMQYSLFSLWSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095856
C1CCc2nnc(n2CC1)CN1CCC(C1)NC(=O)Nc1ccc(cc1)F	PC-id_134813221,EMOLS-id_316809776,MCULE-8355822212	372.44	PQOZKEMVSZPLTJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095857
Fc1ccc(cc1)CC1(C)CCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102107129	372.44	LWROSWIFAXHZDJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095858
Fc1cccc(c1)CC1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158872	372.44	VBYAKUZGRLXXPR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095859
Fc1ccc(cc1)CC1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102159088	372.44	FVKLVBHXMZTYFO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095860
Fc1ccc(c(c1)C)C1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161251	372.44	ITTRMHXBFBMZPS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095861
Fc1cccc(NC(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)c1	ZINC22_96259595,PC-id_97519677,EMOLS-id_44370738	372.44	HTCHBWVCOLHNDP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095862
Fc1ccc(NC(=O)N2CCCn3nnc(CN4CCCCC4)c3C2)cc1	EMOLS-id_44370740,ZINC22_96259596,PC-id_97519678	372.44	KODQSFXCOMYQQO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095863
Fc1ccc(NC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_51307309	372.44	JKYPDZVFHSAQEX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095864
Fc1c(NC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cccc1	PC-id_51307308	372.44	WEZPNQWCUOKIIZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095865
O=C([C@@H]1CCCCn2nnnc12)N1CCCN(Cc2cccc(F)c2)CC1	ZINC22_97698886,PC-id_97935855	372.44	CXMMQYSLFSLWSD-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095866
O=C([C@H]1CCCCn2nnnc12)N1CCCN(Cc2cccc(F)c2)CC1	ZINC22_97698888,PC-id_97935856	372.44	CXMMQYSLFSLWSD-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095867
O=C(N1CCC(CC1)Cc1ccccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102163276	372.44	ISIVSRWRHVCNMW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-095868
O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2nnc3n2CCCCC3)C1	ZINC22_263750112	372.44	PQOZKEMVSZPLTJ-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095869
O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2nnc3n2CCCCC3)C1	ZINC22_263750115	372.44	PQOZKEMVSZPLTJ-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-095870
O=C(NC1CCn2c(CC1)nnn2)NC1CCC(CC1)c1ccc(cc1)F	EMOLS-id_102168403	372.44	LIZSKEZRKJJMHS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095871
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(cc1)N1CCOCC1	PC-id_90625526	372.441	NNYUYAKSVDKXPX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-095872
c1(C(=O)N2CCCC2)cc2n(CCCN(C2)C(=O)C(=O)c2cccs2)n1	ZINC22_65455739,EMOLS-id_32416304,MCULE-2847860279,PC-id_50973609	372.441	GTWKEDSQXWEPJR-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-095873
Cc1c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cnn1C	PC-id_25748428,EMOLS-id_44035886,MCULE-6078548612,ZINC22_13297090	372.441	VEZDTYHHCLUIOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095874
Cc1nc2cc(ccc2s1)C(=O)N1CCCn2nc(cc2C1)C(O)CO	EMOLS-id_55612687,PC-id_91763529,MCULE-6248686460	372.441	VNACTAWLPXELFC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095875
C[C@@H](OC(=O)c1cnn(C)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4188485,PC-id_25553501,ZINC22_12853026	372.441	XKKQYRHIHAYRFF-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095876
C[C@H](OC(=O)c1cnn(C)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25553499,CoCoCo_4188484,ZINC22_12853023	372.441	XKKQYRHIHAYRFF-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-095877
CCNc1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)C	SCHEMBL1770530,PC-id_58256602	372.441	KPFOFVIKOFAULM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095878
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)N(C)C	PC-id_58256592,SCHEMBL12598910	372.441	BJSAZLKPBRYPJG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095879
N#Cc1c(NC(=O)CN2C[C@@H]3[C@H](C2)C(=O)NC3=O)sc2c1CCCCC2	EMOLS-id_101316160	372.441	ZYGIUWMXZOZYIK-BETUJISGSA-N	00000010100000000100000000000110000000000000000000000000	31-01-095880
N#Cc1c(NC(=O)CN2C(=O)CN(C2=O)C2CC2)sc2c1CCCCC2	PC-id_87022485	372.441	APGYDNVVJDARPH-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-095881
N#Cc1c(NC(=O)C(OC(=O)c2cnn(c2)C)C)sc2c1CCCCC2	EMOLS-id_24490482,PC-id_45351685,MCULE-1399658085	372.441	XKKQYRHIHAYRFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095882
OC1CC(C1)C(=O)N1CCc2nc(sc2CC1)C(=O)Nc1ccncc1	EMOLS-id_313794107,ZINC22_1565554214	372.441	MHEVYHPNHBZCPK-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-095883
O=c1n(C)cnc2c1c(C(=O)Nc1sc3c(n1)CCCCCC3)c(o2)C	EMOLS-id_110644591	372.441	RHULSNOYEWYTNE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095884
O=C(c1nc2c(s1)CCN(CC2)C(=O)c1ccncc1)N1CCOCC1	PC-id_97442536	372.441	GMXPLOMVNWWQHH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-095885
OC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccc2c(c1)nc(s2)C)O	PC-id_99972007	372.441	VNACTAWLPXELFC-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095886
OC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1ccc2c(c1)nc(s2)C)O	PC-id_99972008	372.441	VNACTAWLPXELFC-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095887
s1c2CCCCCCc2nc1NC(=O)CCc1onc(n1)c1occc1	PC-id_56022628	372.441	UFNUYOYMPBJHLA-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-095888
c1(c(C)nc(N2CCOCC2)s1)C(=O)N1CCCn2nc(C#N)cc2C1	PC-id_154821766,ZINC22_1857730231,EMOLS-id_324317058,MCULE-5729442820	372.445	NGJXRKCISCNKNT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-095889
c1(C(=O)NCC)cn2c(CCN(CC2)C(=O)Cc2cn3c(scc3)n2)n1	ZINC22_1875246080,EMOLS-id_331127852,MCULE-1261849299	372.445	YHYFWTMUMPCQKN-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-095890
Cc1cccc(c1)S(=O)(=O)N1CCCn2nnc(Cn3cccn3)c2C1	EMOLS-id_46182471,PC-id_97405546,ZINC22_96084723	372.445	CBYPVADLPPNEJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095891
Cc1ccc(cc1)S(=O)(=O)N1CCCn2nnc(Cn3cccn3)c2C1	PC-id_97519630,ZINC22_96259548,EMOLS-id_44370644	372.445	IIXKGKCKDJJGLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095892
Cc1nc2ncnn2c(O)c1CCC(=O)Nc1nc2CCCCCc2s1	MCULE-4470501354,ZINC22_105825925,EMOLS-id_43437689	372.445	BGKHGCSUTAWQAF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095893
Cc1[nH]c2ncnn2c(=O)c1CCC(=O)Nc1nc2CCCCCc2s1	PC-id_56763245,MCULE-6972227145,EMOLS-id_36516036,STOCK7S-23782,ZINC22_71288626	372.445	SNMZZORKCYIZSR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095894
Cc1[nH]c2ncnn2c(=O)c1CC(=O)Nc1nc2CCCCCCc2s1	SYN-20032117,MCULE-1894245342,CoCoCo_495052,ZINC22_100771195,PC-id_46970567,EMOLS-id_30437511	372.445	LUCHWINTLUZDBT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095895
Cc1[nH]c2nnc(C)n2c(=O)c1CC(=O)Nc1nc2c(s1)CCCCC2	PC-id_46969112,SYN-20002504,CoCoCo_492674,ZINC22_100770263	372.445	CEKAKIDMXYIFJO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095896
Cc1sc2ncc(C(=O)NCc3cc4CNCCCn4n3)c(=O)n2c1C	ZINC22_82135119,MCULE-9896808683,PC-id_70763286,EMOLS-id_44443977	372.445	JTDPOLDKIQXNRJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095897
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC22_14240953,PC-id_26006350,CoCoCo_4173148	372.445	DMJDXUCFTMSHRC-SNVBAGLBSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095898
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC22_14240954,PC-id_26006351,CoCoCo_4173147	372.445	DMJDXUCFTMSHRC-JTQLQIEISA-N	00000000100000100101000001000010000000000000000000000000	31-01-095899
Cn1cnc(c1)S(=O)(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337755122,ZINC22_2356135895,MCULE-1346902985	372.445	XNUOZJBJVJGGRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095900
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cnn(c1C)c1ccccn1	EMOLS-id_101948553	372.445	MFLVJFLMVVUOPX-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-095901
Cn1ncc2c(=O)n(CCC(=O)Nc3nc4c(s3)CCCCC4)cnc12	PC-id_45864718,EMOLS-id_30242450,MCULE-3316659705,ZINC22_40034671	372.445	NNXHDGUDRJLOCV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095902
CN(Cc1nnc2n1CCOCC2)C(=O)c1cn(C)nc1c1cccs1	ZINC22_1615545602,MCULE-5813064265,EMOLS-id_320333252	372.445	BKPIHYYNOGXVRZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-095903
COc1ccc2n(n1)c(CCC(=O)Nc1nc3c(s1)CCCCC3)nn2	EMOLS-id_46566579,MCULE-4062251560,STOCK7S-30570,ZINC22_72406482,PC-id_60179425,EMOLS-id_43042643	372.445	CYCAQNWXUGLNHK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095904
n1c(CNC(=O)c2ccc(CSc3nnc[nH]3)o2)c2c(CCCCC2)[nH]1	MCULE-4786545804,ZINC22_240163572,EMOLS-id_55644544,PC-id_91834470	372.445	JCAGXUHMELDMPT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-095905
O=c1[nH]c2c([nH]1)ccc(c2)NC(=O)C(Sc1nnc2n1CCCCC2)C	EMOLS-id_13560338,PC-id_17571176,MCULE-4659975515	372.445	DMJDXUCFTMSHRC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095906
O=C(CCc1nc(c2cccs2)no1)NCc1nnc2n1CCCCC2	ZINC22_40012933,EMOLS-id_30238409,MCULE-9233886633,PC-id_45859675	372.445	OVTRZPJKHAIQHV-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-095907
O=C(Nc1ccc([nH+]c1)N1CCOCC1)NCc1nnc2n1CCCCC2	GD-id_ZINC48070288	372.445	UWANWLUDNBTWHO-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-095908
O=S(=O)(c1ccnn1CCc1ccccc1)N1CCCn2c(C1)cnn2	EMOLS-id_319879607,MCULE-7780156723	372.445	KRRZVTSFJVMNTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095909
O=S(=O)(NCc1cc2CNCCCn2n1)c1ccc(cc1)n1cccn1	ZINC22_82091819,PC-id_70711649,MCULE-1250762160,EMOLS-id_44425929	372.445	ANFIAYVADBOYAR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-095910
s1c(c(c2c1ncn(c2=O)C)C)C(=O)NCc1n2CCCCCc2nn1	PC-id_51231610	372.445	OSZSFYREIPBGOO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095911
s1cc(c2nc(on2)CCC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266380	372.445	VJMLMWUIMPHBIX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-095912
c1(C(=O)NCCn2cncn2)cn2c(CCN(Cc3cnsc3)CC2)n1	ZINC22_1940194803,EMOLS-id_336475571,MCULE-9082423841	372.448	SINWCMUBGDBHCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-095913
CCCCCCc1cc(c2-c1ccc(cc2)CC(=O)OC)OC(=O)OCC	PC-id_17776167,SCHEMBL8526991	372.455	MGCBEMQIDBVNIQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095914
CCCCCOC(=O)c1c2-c(c(c1OCC)C(=O)OCCC)ccccc2	PC-id_141346751	372.455	ZHLJUUCWWFIJCX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095915
CCCCCOC(=O)c1c2-c(c(c1OC)C(=O)OCC)c(C)cc(cc2)C	PC-id_141346792	372.455	OEMCPFZSNAXISU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095916
CCCCCOC(=O)c1c(OCC)c(c2-c1ccc(cc2C)C)C(=O)OC	PC-id_141346763	372.455	ZQKUYBXAUBFZEO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095917
CCCCOc1c(C(=O)OCCC)c2-c(c1C(=O)OCCC)ccccc2	PC-id_141346770	372.455	SUPUPBNJELFUCK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095918
CCCCOC(=O)c1c2-c(c(c1OCC)C(=O)OCC)c(C)cc(cc2)C	PC-id_141346788	372.455	NEHMTDPBHGXFPF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095919
CCCOC(=O)c1c2-c(c(c1OCC)C(=O)OCCC)ccc(cc2C)C	PC-id_141346812	372.455	RSNXBFIQSKNGJZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095920
FC1=CCc2c(C=C1)nc(n2C)C(C(N(c1cc(F)ccc1N)C)C)(C)C	PC-id_142117142	372.455	IVJLTJDLWIFNJH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-095921
c1(NC(=O)c2ccccc2F)sc2c(CCCCC2)c1C(=O)NCC=C	CoCoCo_700465,ChEMBL-DNDi_CHEMBL3759-1456,TIMTEC349787,PC-id_2276599,MCULE-5739811185,EMOLS-id_2105657,ZINC22_2974908	372.456	OBWGNBIEVKRNEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095922
CCCOCc1cccc(c1F)CC(=O)NC1=Cc2scnc2CC=C1	PC-id_143948826	372.456	MJJRUYPYXHYWQN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-095923
s1c2CCCCCc2cc1C(=O)NNC(=O)C1(CC1)c1ccc(F)cc1	PC-id_55560055	372.456	ZXDCRYXFEHQLSX-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-095924
s1c2CCCCCc2cc1C(=O)NNC(=O)C1C(C1)c1c(F)cccc1	PC-id_55473919	372.456	MOYGFEVGVGARQB-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-095925
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1ccc(F)cc1)C(=O)N	PC-id_3675140	372.456	NBUQYLBZJWGHMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095926
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1ccc(F)cc1)C(=O)N	PC-id_5892221	372.456	NBUQYLBZJWGHMX-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095927
CCCON(C(=O)Cc1ccc2-c(cc1)cc(c2)N(CC)CC)OC(=O)C	PC-id_141009986	372.458	VOOLDLBEHIDJBR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-095928
COc1cc(C)c([C@@H](C)NC(=O)CN2CCCc3occc3C2)cc1OC	ZINC22_808797396	372.458	OZQKDDAEVHVOMP-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095929
COc1cc(C(NC(=O)CN2CCCc3c(C2)cco3)C)c(cc1OC)C	EMOLS-id_316838857,MCULE-8931471370	372.458	OZQKDDAEVHVOMP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-095930
CN1CCc2c(CC1)cc(s2)C(=O)NC(c1nc2c([nH]1)cc(cc2)F)C	PC-id_145508643	372.46	KKACQIYAQFVIEI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095931
O=C(c1sc2c(c1C)c(F)ccc2)N[C@@H](c1nnc2n1CCCCC2)C	GD-id_ZINC29895855	372.46	MOIALSYNJQNNCK-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-095932
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1onc(C2CCCCC2)c1	MCULE-9950727766,EMOLS-id_43160410,PC-id_56910273,ZINC22_72473788	372.461	SRNGECWYLPLCAD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-095933
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1O)OC)c2)CC(C)C	PC-id_70726242,EMOLS-id_44431005,ZINC22_82099581,MCULE-6863047926	372.461	XDDGVVBNOBUSOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095934
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(cc1C)OC	ZINC22_82172133,EMOLS-id_44452879,MCULE-8648201166,PC-id_70788919	372.461	VLNBTOGMOSJYOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095935
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(cc1)OCC	ZINC22_91452652,PC-id_72860636,MCULE-4650986254,EMOLS-id_46041617	372.461	ZRIGAZGNLSNOKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095936
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(c(C)c1)OC	MCULE-5467367093,ZINC22_92003380,EMOLS-id_46092007,PC-id_72929889	372.461	QSPVEYPFEWNWQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095937
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cccc(OCC)c1	PC-id_72934402,EMOLS-id_46095253,ZINC22_92045529,MCULE-9759634454	372.461	ADWVTROZIARCAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095938
C1CCC(=CC1)CCN(CC1CC1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135106770	372.461	CEGJXUVSUPVVLI-UHFFFAOYSA-N	00100000100011000101000000000010000000000000000000000000	31-01-095939
c1(cn2c(CCN(C/C=C(C)/C)CC2)n1)C(=O)N1C[C@@H]2[C@@H]([C@H]2C(=O)OC)C1	EMOLS-id_331137314,MCULE-3004770678,ZINC22_1875248404	372.461	OPQVCDHLEBLGIF-HWWDLCQESA-N	00100010100000000101010000000010000000000000000000000000	31-01-095940
c1(CN(C)C(=O)c2ccc(cc2OCCN)OC)c2CCCCCc2[nH]n1	ZINC22_426549061,MCULE-5267127241,EMOLS-id_82726979,PC-id_118782635	372.461	FWRREWBENHUFGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095941
c1(C(O)C2CCC2)cc2n(CCCN(Cc3nccc(OC)c3OC)C2)n1	EMOLS-id_55684839,PC-id_91788666,MCULE-2082022043	372.461	QJHOXWXERQUDOM-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-095942
c1(coc(CN2CCOCC2)c1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_46620020,MCULE-3582637051,ZINC22_95367974,PC-id_72878273	372.461	JCHIVUCGPWNKPF-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-095943
c1(C(=O)N(CCCOC)Cc2cccc(OC)c2)nnc2CCCCCn12	EMOLS-id_316256843,ZINC22_1506419526,MCULE-8818824093	372.461	DTIVHNNULJORFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095944
CC(C)CNC(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	EMOLS-id_207876668,MCULE-3563915173	372.461	DHKIZJTWLPLWPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095945
CC(COc1cccc(c1)CNC(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_86836648	372.461	XNVVQIXGVYLDRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095946
CCN(C[C@H](O)c1cccc(O)c1)C(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_426484450	372.461	MCJAHPMRHNCEPK-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-095947
CCN(C[C@@H](O)c1cccc(O)c1)C(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_426484453	372.461	MCJAHPMRHNCEPK-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095948
CCN(CC(O)c1cccc(O)c1)C(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_177412343,MCULE-8327907060,PC-id_121501162	372.461	MCJAHPMRHNCEPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095949
CCOc1ccccc1NC(=O)C1CCCCc2n1c(=O)n(n2)CC(C)C	EMOLS-id_207869361,MCULE-7082357073	372.461	KSFBYESJUXIMPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095950
CCOc1ccc(cc1OCC)C(=O)N(C)C1CCc2nnc(C)n2CC1	PC-id_91910782,EMOLS-id_50590407,MCULE-5015352422	372.461	SZMMAJAOBPIYSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095951
CCOc1ccc(CN2CCc3nn(CC4CC4)c(=O)n3CC2)cc1OC	EMOLS-id_55716816,MCULE-4349267576	372.461	ZLLZYFNLKWLMQY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-095952
CCOc1cc(CCNC(=O)C2CCn3c(CC2)nnc3)ccc1OCC	EMOLS-id_319573308	372.461	UDVMOGNBXIADIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095953
CCOC(=O)[C@H]1[C@@H]2CN(C[C@@H]2C=C[C@@H]1C)C(=O)c1nnc2CCCCCn12	EMOLS-id_324315536,PC-id_154823536,ZINC22_1857740744	372.461	XUFOOJRGTCENML-LJIGWXMPSA-N	00000010100011000101000000000110000000000000000000000000	31-01-095954
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)COCc1ccccc1)C2	PC-id_100061601,ZINC22_220599032	372.461	VCGQYDYOIBRFPW-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-095955
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)COCc1ccccc1)C2	ZINC22_220598971,PC-id_100061599	372.461	VCGQYDYOIBRFPW-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095956
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)COCc1ccccc1	PC-id_90650721,MCULE-8730784549,EMOLS-id_50538253	372.461	VCGQYDYOIBRFPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095957
CN(C)C(=O)COC1CN(CCOCc2ccccc2)Cc2ccnn2C1	EMOLS-id_50007190	372.461	GVHRJBXJHCACLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095958
CN(C)C(=O)CO[C@H]1CN(CCOCc2ccccc2)Cc2ccnn2C1	ZINC22_247967438	372.461	GVHRJBXJHCACLY-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-095959
CN(C)C(=O)CO[C@@H]1CN(CCOCc2ccccc2)Cc2ccnn2C1	ZINC22_247967446	372.461	GVHRJBXJHCACLY-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095960
COc1ccc(cc1)C[C@H]1CCc2cnnn2COC[C@H](NC1=O)C(C)C	CHEBI:126503,PC-id_54649867	372.461	GXBDVNURWIBSDR-APWZRJJASA-N	00000000100000110101000000000010000000000000000000000000	31-01-095961
COc1ccc(cc1)C[C@@H]1CCc2cnnn2COC[C@@H](NC1=O)C(C)C	CHEBI:131057,PC-id_54649866	372.461	GXBDVNURWIBSDR-QFBILLFUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095962
COc1ccc(cc1)C[C@H]1CCc2cnnn2COC[C@@H](NC1=O)C(C)C	PC-id_54649865,CHEBI:131041	372.461	GXBDVNURWIBSDR-VQIMIIECSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095963
COc1ccc(cc1)C[C@@H]1CCn2nnc(c2)COC[C@H](NC1=O)C(C)C	CHEBI:127202,PC-id_54649835	372.461	BUJNRAADAGIHRJ-LPHOPBHVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095964
COc1ccc(cc1)C[C@@H]1CCn2nnc(c2)COC[C@@H](NC1=O)C(C)C	CHEBI:128141,PC-id_54649838	372.461	BUJNRAADAGIHRJ-QFBILLFUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095965
COc1ccc(cc1)C[C@H]1CCn2nnc(c2)COC[C@H](NC1=O)C(C)C	PC-id_54649836,CHEBI:130738	372.461	BUJNRAADAGIHRJ-APWZRJJASA-N	00000000100000110101000000000010000000000000000000000000	31-01-095966
COc1ccc(cc1)C[C@H]1CCn2nnc(c2)COC[C@@H](NC1=O)C(C)C	PC-id_54649837,CHEBI:127711	372.461	BUJNRAADAGIHRJ-VQIMIIECSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095967
COc1ccccc1CNC(=O)C1CCCCc2n1c(=O)n(n2)CC(C)C	MCULE-3643146916,EMOLS-id_207869343	372.461	IVUHFQBOWDZSOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095968
COc1ccc(CCC(=O)N(C)C2CCc3nnc(C)n3CC2)cc1OC	EMOLS-id_50590405,MCULE-2803222560,PC-id_91910781	372.461	SNTMIBZBGFRJBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095969
COc1ccnc(CN2CCCn3nc([C@@H](O)C4CCC4)cc3C2)c1OC	ZINC22_222990777,PC-id_100175565	372.461	QJHOXWXERQUDOM-IBGZPJMESA-N	00001000100000101101000000000010000000000000000000000000	31-01-095970
COc1ccnc(CN2CCCn3nc([C@H](O)C4CCC4)cc3C2)c1OC	ZINC22_230521850	372.461	QJHOXWXERQUDOM-LJQANCHMSA-N	00001000100000101101000000000010000000000000000000000000	31-01-095971
COC(c1ccc(cc1)OC)C(NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_318048941	372.461	DHYADXFHCHMWET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095972
COCCNC(=O)CC1CN(Cc2cccnc2OC)Cc2cccn2C1	EMOLS-id_313814818	372.461	RLOAMIGVCLRUPY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095973
COCCNC(=O)C[C@H]1CN(Cc2cccnc2OC)Cc2cccn2C1	ZINC22_585099179	372.461	RLOAMIGVCLRUPY-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095974
COCCNC(=O)C[C@@H]1CN(Cc2cccnc2OC)Cc2cccn2C1	ZINC22_585099180	372.461	RLOAMIGVCLRUPY-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-095975
COCC(=O)NCCC1CN(Cc2ccccc2OC)Cc2ccnn2C1	EMOLS-id_50375207	372.461	QZAVWIIYMMQHKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095976
COCC(=O)NCC[C@H]1CN(Cc2ccccc2OC)Cc2ccnn2C1	ZINC22_248143095	372.461	QZAVWIIYMMQHKU-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095977
COCC(=O)NCC[C@@H]1CN(Cc2ccccc2OC)Cc2ccnn2C1	ZINC22_248143098	372.461	QZAVWIIYMMQHKU-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095978
COC(=O)COc1c(C)cc(cc1C)CNCc1nnc2n1CCCCC2	PC-id_121849966	372.461	HSMNSQNWKDLJSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095979
O1CC(NC(=O)C(CCc2n(nnc2)C1)Cc1ccc(OC)cc1)C(C)C	PC-id_76161108	372.461	GXBDVNURWIBSDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095980
O1CC(NC(=O)C(CCn2nnc(C1)c2)Cc1ccc(OC)cc1)C(C)C	PC-id_76161096	372.461	BUJNRAADAGIHRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095981
O(c1c(OCC)cc(C(=O)NCc2n3CCCCCc3nn2)cc1)CCC	PC-id_46447168	372.461	PSNXBTZOCGGCHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095982
O=c1n2CCCCCc2nn1CC(=O)OCc1c(N(CC)CC)cccc1	PC-id_56167715	372.461	QKXFCBBBTNNPPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095983
O(CCCC)c1c(OC)cc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266257	372.461	PGRKHCLAHKCSNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095984
O(CCCC(=O)NCc1n2CCCCCc2nn1)c1c(OCC)cccc1	PC-id_51266261	372.461	OIKFOBOROINLQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095985
O(CCCC(=O)NCCc1n2CCCCCc2nn1)c1ccc(OC)cc1	PC-id_51307468	372.461	JOAFVTVWPWQIKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095986
O=C(N1C(=O)C(=C(C1=O)C)C)C1NCCCCCCCCn2cc(nc2)C1	PC-id_77875453	372.461	JPEHMPZGTRQHAN-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-095987
O=C(N1C(=O)C(=C(C1=O)C)C)[C@H]1NCCCCCCCCn2cc(C1)nc2	SCHEMBL11108524,PC-id_70514395	372.461	JPEHMPZGTRQHAN-KRWDZBQOSA-N	00000011100000000101000000000010000000000000000000000000	31-01-095988
O=C(NCCC1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccco1	EMOLS-id_50373037	372.461	NPZZUPTUUXAXOU-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-095989
O=C(NCCc1n2CCCCCc2nn1)c1cc(OCC)c(OCC)cc1	PC-id_51304498	372.461	QRZUPBNKRGDACH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095990
O=C(NCCc1n2CCCCCc2nn1)CCc1cc(OC)cc(OC)c1	PC-id_51307480	372.461	QXEDIPJVPFWAFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095991
O=C(NCCc1n2CCCCCc2nn1)CCc1cc(OC)c(OC)cc1	PC-id_51304476	372.461	USSYHPFARSRGTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-095992
O=C(NCC[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccco1	ZINC22_247493861	372.461	NPZZUPTUUXAXOU-KRWDZBQOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-095993
O=C(NCC[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1)c1ccco1	ZINC22_247493876	372.461	NPZZUPTUUXAXOU-QGZVFWFLSA-N	00000000101010000101000000000010000000000000000000000000	31-01-095994
c12C(=O)NCCCc1nc(NC(=O)C1CCN(CC1)S(=O)(=O)C)s2	PC-id_72719983,MCULE-1443478948,EMOLS-id_48619028,ZINC22_96124388	372.463	OJYSMDPWVYMFEN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-095995
[C@H]1(C[C@H]1c1ccccc1)C(=O)N1CCn2c(CC1)nc(Cc1ccccc1)n2	ZINC22_2356149003,MCULE-8064636753,EMOLS-id_337801781	372.463	DWVATUAVKMYKJE-VQTJNVASSA-N	00100000100000110101100000000010000000000000000000000000	31-01-095996
c12C(CCCCn1nnn2)C(=O)NCC1CCN(CC1)Cc1ccc(C)o1	EMOLS-id_49641482,PC-id_74231339,MCULE-1735688821	372.465	YBLHQQUETKGISO-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-095997
c12CN(CCCn1nc(C#N)c2)C(=O)NCC1(CCCC1)N1CCOCC1	PC-id_119074759,EMOLS-id_82743255,MCULE-7258340716,ZINC22_426734178	372.465	XCEWXSGAQZXCPI-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-095998
c12CN(CCCn1nc(CN(C)Cc1ccno1)c2)C(=O)NC1CCCC1	MCULE-3411032923,ZINC22_72150165,EMOLS-id_43142506,PC-id_56904276	372.465	ONEUVVYCTMZRMB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-095999
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(nc1)N(C)C	PC-id_70751326,EMOLS-id_44439859,ZINC22_82121220,MCULE-9132465226	372.465	XGUBYCCWBPOKRL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096000
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cnc(nc1)C(C)C	MCULE-5581192132,ZINC22_91390718,EMOLS-id_46036471,PC-id_72853312	372.465	XQIZMXHPZMHITN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096001
c1(C(O)c2ccnn2C)cc2n(CCCN(CC(=O)N3CCCCC3)C2)n1	EMOLS-id_55687319,PC-id_91789506,MCULE-3221304098	372.465	RALPICVQTKFRPN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096002
c1(C(=O)N2CCCC(C2)c2onc(CC(C)C)n2)nnc2CCCCCn12	MCULE-4871433487,EMOLS-id_316276502	372.465	ANNDMQRODFKACX-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096003
c1(C(=O)NC2CCc3n(c(=O)[nH]n3)CC2)n[nH]c2CCC(C(C)(C)C)Cc12	PC-id_91922657,EMOLS-id_50586013,MCULE-8470732336	372.465	ZINHDHHUYZIXRQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-096004
c1(C(=O)NCc2cc3n(CCCN(CC(C)C)C3)n2)n[nH]c2CCOCc12	MCULE-5878276356,ZINC22_244715975,EMOLS-id_55658690,PC-id_91836565	372.465	LGDDDKXPRYHRIO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-096005
c1(C(=O)N(C)C)cn2c(CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)n1	EMOLS-id_331142171,MCULE-1255501378,ZINC22_1875247580	372.465	LJMSVQGPAXXBMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096006
c1(C(=O)NCCN(C)C)cc2n(CCCN(C2)C(=O)c2[nH]c(cc2C)C)n1	PC-id_50976370,ZINC22_67868505,EMOLS-id_32421520,MCULE-4290543579	372.465	KCLWSDAHRLGRNQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-096007
Cc1ccc(CN2CCC(CNC(=O)[C@@H]3CCCCn4nnnc34)CC2)o1	PC-id_97844774,ZINC22_97179490	372.465	YBLHQQUETKGISO-QGZVFWFLSA-N	00000000101010000101000000000010000000000000000000000000	31-01-096008
Cc1ccc(CN2CCC(CNC(=O)[C@H]3CCCCn4nnnc34)CC2)o1	ZINC22_97179491,PC-id_97844775	372.465	YBLHQQUETKGISO-KRWDZBQOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-096009
Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1C	PC-id_20166087,ZINC22_32125113	372.481	QGLNYDJOYDQBQU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096104
Cc1cc(nn1CC(=O)N(C)C1CCc2nn(c(=O)n2CC1)CC1CC1)C	PC-id_91922728	372.465	ANYLWZFOFFNKMP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-096010
Cc1nc(CC2CCN(CC2)C(=O)CCc2cc3CNCCCn3n2)no1	PC-id_70704378,ZINC22_72406799,EMOLS-id_43054326,MCULE-9842922985	372.465	LBCHRTBALFIVFM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096011
CC(C)c1noc([C@@H]2CCCN2C(=O)CCc2cc3n(n2)CCCNC3)n1	PC-id_95893691,ZINC22_72472973	372.465	XRVLMAFHWHNJCI-INIZCTEOSA-N	00000010100000000101100000000010000000000000000000000000	31-01-096012
CC(C)c1noc([C@H]2CCCN2C(=O)CCc2cc3n(n2)CCCNC3)n1	ZINC22_72472974,PC-id_95893692	372.465	XRVLMAFHWHNJCI-MRXNPFEDSA-N	00000010100000000101100000000010000000000000000000000000	31-01-096013
CC(C)c1noc(CN2CCCn3nc(CCC(=O)NC4CC4)cc3C2)n1	MCULE-7054511485,PC-id_70765185,EMOLS-id_44444617,ZINC22_82137051	372.465	IEBXMDIAMDEETM-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-096014
CC(C)c1noc(n1)C1CCCN1C(=O)CCc1cc2CNCCCn2n1	PC-id_70768741,EMOLS-id_43158150,MCULE-1281201205	372.465	XRVLMAFHWHNJCI-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-096015
CC(C)Cc1noc([C@H]2CCCN(C(=O)c3nnc4n3CCCCC4)C2)n1	ZINC22_1506400116	372.465	ANNDMQRODFKACX-AWEZNQCLSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096016
CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3nnc4n3CCCCC4)C2)n1	ZINC22_1506400123	372.465	ANNDMQRODFKACX-CQSZACIVSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096017
CC(CC(=O)NCc1cc2CNCCCn2n1)n1nc(C)c(C(=O)C)c1C	PC-id_70782008,EMOLS-id_44450447,MCULE-8293822980	372.465	UWKYRMKHSASTJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096018
CCCN1CCCn2c(C1)cc(n2)CNC(=O)Cn1c(C)cc(nc1=O)C	EMOLS-id_44447753,MCULE-2300468326,PC-id_70774349	372.465	PXYNQGWOXOHVBA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096019
CCCN1CCCn2nc(CNC(=O)Cn3nc(C)c(C)cc3=O)cc2C1	MCULE-9577504172,PC-id_70741291,ZINC22_82114353,EMOLS-id_44436391	372.465	ATLBARPHLNMFIX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096020
CCC(=O)N1CCCn2c(C1)cc(n2)CN(Cc1noc(n1)C1CCC1)C	MCULE-9554356709,PC-id_56883710,EMOLS-id_43063844	372.465	KJUXEUWUEIQVQJ-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-096021
C[C@@H](NC(=O)N1CCCc2c(cnn2C)C1)c1nc(C2CCCCC2)no1	ZINC22_334030059	372.465	KCQJWGWFNUGYRM-CYBMUJFWSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096022
C[C@H](NC(=O)N1CCCc2c(cnn2C)C1)c1nc(C2CCCCC2)no1	ZINC22_334030060	372.465	KCQJWGWFNUGYRM-ZDUSSCGKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096023
CCNC(=NCc1nnc2n1CCCCC2)Nc1ccc(c(c1)OC)OC	PC-id_109571763	372.465	LNOXBYXAJQTMOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096024
CCOc1ccc(cc1NC(=NCc1nnc2n1CCCCC2)N)OCC	PC-id_111031954	372.465	DWHUMFNAASTTKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096025
CCOc1cc(ccc1OC)NC(=NC)NCc1nnc2n1CCCCC2	PC-id_109576997	372.465	PBJJZOQDKDHZEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096026
CCOc1ccc(cc1OC)NC(=NC)NCc1nnc2n1CCCCC2	PC-id_109579975	372.465	QGXKESFZIGANEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096027
CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCc2cc3n(n2)CCCNC3)c1C	PC-id_96581016,ZINC22_82160505	372.465	UWKYRMKHSASTJV-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096028
CC(=O)c1c(C)nn([C@H](C)CC(=O)NCc2cc3n(n2)CCCNC3)c1C	PC-id_96581017,ZINC22_82160507	372.465	UWKYRMKHSASTJV-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096029
CC(=O)N1CCCn2nc(CNC(=O)CCc3c(C)nn(C)c3C)cc2C1	MCULE-9695558392,ZINC22_82162011,EMOLS-id_44451623,PC-id_70785309	372.465	GFVIAXYZWDDTRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096030
CN1CCCC(C1)C(=O)NCc1nnc2CCN(Cc3ccoc3)CCn12	EMOLS-id_20575053,PC-id_45210721,MCULE-8977223919	372.465	VBGYKLODTHENPY-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-096031
CN1CCC[C@H](C(=O)NCc2nnc3n2CCN(Cc2ccoc2)CC3)C1	CoCoCo_1380901,CoCoCo_1380903,CoCoCo_1380900,CoCoCo_1380902,ZINC22_12028887	372.465	VBGYKLODTHENPY-INIZCTEOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-096032
CN1CCC[C@@H](C(=O)NCc2nnc3n2CCN(Cc2ccoc2)CC3)C1	ZINC22_12028884,CoCoCo_1380906,CoCoCo_1380907,CoCoCo_1380905,CoCoCo_1380904	372.465	VBGYKLODTHENPY-MRXNPFEDSA-N	00000000101010000101000000000010000000000000000000000000	31-01-096033
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(CC(=O)N1CCCCC1)C2	PC-id_100188995,ZINC22_223077910	372.465	RALPICVQTKFRPN-IBGZPJMESA-N	00000000100010000101000000000010000000000000000000000000	31-01-096034
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(CC(=O)N1CCCCC1)C2	PC-id_100189007,ZINC22_223077973	372.465	RALPICVQTKFRPN-LJQANCHMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096035
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(c(c1)OC)OC	PC-id_111201402	372.465	LBPCJYGASSPSSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096036
COc1ccc(c(c1)NC(=NCCCc1nnc2n1CCCCC2)N)OC	PC-id_111093751	372.465	KMYIBJDJJUUYLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096037
COc1ccc(cc1OC)CN=C(NCCc1nnc2n1CCCCC2)N	PC-id_111039195	372.465	WAPNFGXEYYRFIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096038
COc1ccc(cc1)OCCNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111410087	372.465	QCXXJKSYTJUDKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096039
COc1ccc(c(c1)OC)CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111878749	372.465	FDMDFULZZYGGSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096040
COc1ccc(cc1OC)NC(=NCCCc1nnc2n1CCCCC2)N	PC-id_111093747	372.465	IHVBMNCDKBJLFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096041
COCCn1ccnc1[C@@H]1CCCN(C1)C(=O)c1nnc2n1CCCCC2	PC-id_97286063	372.465	DDYLCHYNBNNKIV-OAHLLOKOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096042
COCCn1ccnc1[C@H]1CCCN(C1)C(=O)c1nnc2n1CCCCC2	PC-id_97286064	372.465	DDYLCHYNBNNKIV-HNNXBMFYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096043
n12CCCNCc1cc(CCC(=O)N1CCCOC(Cn3cccn3)C1)n2	MCULE-5201160259,EMOLS-id_43092529,PC-id_70725619	372.465	ISDOTCVRUMTLPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096044
n1n2CCCN(Cc3cnc(nc3)N3CCCCC3)Cc2cc1C(CO)O	EMOLS-id_50548897,MCULE-1850203679,PC-id_90653609	372.465	GRIDCKIYDACDGV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-096045
NC(=O)c1c(NC(=O)c2ccc3nsnc3c2)sc2c1CCCCC2	PC-id_17335837,ZINC22_57313156	372.465	ZHYXULLFGMPTMY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096046
O=C(CCc1cc2n(n1)CCCNC2)N1CCCO[C@H](Cn2cccn2)C1	ZINC22_72418470,PC-id_95866842	372.465	ISDOTCVRUMTLPW-SFHVURJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096047
O=C(CCc1cc2n(n1)CCCNC2)N1CCCO[C@@H](Cn2cccn2)C1	ZINC22_72418471,PC-id_95866843	372.465	ISDOTCVRUMTLPW-GOSISDBHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096048
OC[C@@H](O)c1cc2n(n1)CCCN(Cc1cnc(N3CCCCC3)nc1)C2	PC-id_100067823,ZINC22_221413078	372.465	GRIDCKIYDACDGV-GOSISDBHSA-N	00000000100010100101100000000010000000000000000000000000	31-01-096049
OC[C@H](O)c1cc2n(n1)CCCN(Cc1cnc(N3CCCCC3)nc1)C2	PC-id_100067824,ZINC22_221413125	372.465	GRIDCKIYDACDGV-SFHVURJKSA-N	00000000100010100101100000000010000000000000000000000000	31-01-096050
O=C(N1Cc2n(nc(CN3CCC(CC3)C)c2)CCC1)C1=NNC(=O)CC1	PC-id_56907705	372.465	GOAUETBWJJXAIE-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-096051
O=C(N1CCCc2c(C1)cnn2C)NC(c1onc(n1)C1CCCCC1)C	EMOLS-id_101729997,MCULE-4787376454	372.465	KCQJWGWFNUGYRM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096052
O=C(N1CC(CCC1)c1n(CCOC)ccn1)c1n2CCCCCc2nn1	PC-id_72937459	372.465	DDYLCHYNBNNKIV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096053
O=C(N1CCCn2nc(cc2C1)CNC(=O)CCCn1nc(cc1C)C)C	PC-id_70785622	372.465	YMSOXAMYDCDJCY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096054
O=C(N1CCCn2nc(cc2C1)CNC(=O)Cn1nc(c(c1C)CC)C)C	PC-id_70784181	372.465	APZQLVMDKJZVGI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096055
O(C(=O)N1Cc2n(nc(CN3CCCn4c(C3)cnc4)c2)CC1)CCCC	PC-id_56890427	372.465	CUSWFOJSGGBROI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-096056
c1ccc(CCc2nc3n(n2)CCN(Cc2ccc4c[nH]nc4c2)CC3)cc1	EMOLS-id_337719804,ZINC22_2356133750,MCULE-2606648258	372.466	BBTFYGZFVUAVTD-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-096057
c1ccc(CCc2nc3n(n2)CCN(Cc2c[nH]c4ncccc24)CC3)cc1	ZINC22_2356168021,MCULE-1135000384,EMOLS-id_337797516	372.466	MIHNEHRZDYGQPL-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-096058
c1(CN2CCn3c(CC2)nc(Cc2ccccc2)n3)cnn2cccc(C)c12	EMOLS-id_337801782,MCULE-5940757802,ZINC22_2356149403	372.466	YITYQKNVWHOERR-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-096059
c12CN(CCCn1nc(CNc1cc(C)nc(N(C)C)n1)c2)C(=O)N(C)C	EMOLS-id_44443695,PC-id_70762512,MCULE-4622280781,ZINC22_82134765	372.468	KENURPZCFYFWNX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096060
c1(C(C(C)C)NC(=O)c2cc(C(C)C)nc(N)n2)nnc2CCNCCn12	EMOLS-id_36435070,MCULE-3312929953,PC-id_56707672	372.468	VBPJNIQSYHVMMV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096061
c1(C(=O)N2CCn3c(CC2)nnc3C(C)C)cn(nn1)[C@H]1CC[C@H](CC1)N	EMOLS-id_43603349,ZINC22_244866513,MCULE-8751616926	372.468	VXMBMUWEJPTFMI-OKILXGFUSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096062
c1(C(=O)NCc2nnc3CCCCCn23)cn(nn1)CCC1CCCCN1	PC-id_70727559,EMOLS-id_43568437,MCULE-9891100953	372.468	WWWUPOSXVDVPDU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096063
CC(C)c1cc(C(=O)N[C@H](c2nnc3n2CCNCC3)C(C)C)nc(N)n1	PC-id_95206694,ZINC22_67739867	372.468	VBPJNIQSYHVMMV-HNNXBMFYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096064
CC(C)c1cc(C(=O)N[C@@H](c2nnc3n2CCNCC3)C(C)C)nc(N)n1	ZINC22_67739865,PC-id_95206693	372.468	VBPJNIQSYHVMMV-OAHLLOKOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096065
CN=C(N1CCN(CC1)Cc1ccon1)NCc1nnc2n1CCCCC2	PC-id_109502737	372.468	AMFYJFLCGSLQAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096066
CN=C(N1CCOC(C1)c1cnn(c1)C)NCc1nnc2n1CCCCC2	PC-id_109532930	372.468	PIUCJEVZQMDMBU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096067
O=C(N1CCC(CC1)Cn1ccnn1)NCCc1nnc2n1CCCCC2	EMOLS-id_97856064	372.468	ONVVVIIIGFBLMO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096068
O=C(N1CCC(CC1)Cn1ncnc1)NCCc1nnc2n1CCCCC2	EMOLS-id_100537617	372.468	IYUJVQKNQPDANT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096069
O=C(N1CCCCCC1c1c(C)n[nH]c1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102167062	372.468	BGVCEJLUHNHZJI-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-096070
O=C(N1CCn2c(nnc2C(C)C)CC1)c1nnn(C2CCC(N)CC2)c1	PC-id_70783905	372.468	VXMBMUWEJPTFMI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096071
O=C(N1CCN(CC1)CCn1cncn1)CCc1nn2c(c1)CNCCC2	MCULE-9274318677,EMOLS-id_43115347,PC-id_70738235	372.468	AZGFEEXLQBQZSU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096072
O=C(NCc1nnc2n1CCCCC2)c1cn(CC[C@@H]2CCCCN2)nn1	PC-id_96376314,ZINC22_77356467	372.468	WWWUPOSXVDVPDU-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096073
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c1(NC(=O)Nc2ccccc2)sc2c(CCCCC2)c1C(=O)OCCC	EMOLS-id_1087871,ZINC22_2736831,TIMTEC553583,PC-id_4198995,CoCoCo_5815429,MCULE-7694913221	372.481	XPGMTUGIDFWYCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096096
c1(NC(=O)Nc2ccccc2)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC434351,EMOLS-id_1087869,CoCoCo_682840,CHEMBL516005,ZINC22_1199830,PC-id_1358282,MCULE-9086955632	372.481	RSJRIRACOPEIPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096097
Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1	PC-id_20166088,ZINC22_32125185	372.481	ZEMSVYFDUWBQQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096098
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C(=O)O)C1	CoCoCo_5887626,ZINC22_2793060,PC-id_40443444	372.481	NKTRLUSSRPFGFM-GJZGRUSLSA-N	00000000100011000100000000000010000000000000000000000000	31-01-096099
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C(=O)O)C1	PC-id_40443442,ZINC22_2793059,CoCoCo_5887625	372.481	NKTRLUSSRPFGFM-HUUCEWRRSA-N	00000000100011000100000000000010000000000000000000000000	31-01-096100
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Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1C	PC-id_20166089,ZINC22_32125240	372.481	JHPVRKIOULGNJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096103
CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	ZINC22_6957929,PC-id_20166083	372.481	ZSGFKWBPGGWSKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096105
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CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_40584782,ZINC22_6119829,CoCoCo_6819833	372.481	LRVHCHZXTNZIOK-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096107
CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_6048877,PC-id_40579728,CoCoCo_6819832	372.481	LRVHCHZXTNZIOK-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096108
CCC(n1/c(=N/C(=O)c2ccc(cc2)C)/sc2c1CCCCC2)C(=O)O	SCHEMBL14806948,PC-id_71537012	372.481	IGDFTNQBNMTFOE-MRCUWXFGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096109
CCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1	PC-id_20166065,ZINC22_6936357	372.481	XHGDEKZFWVLIGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096110
CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1	PC-id_21234843,ZINC22_6828307	372.481	DKBPJOYMXRNOLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096111
CCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	ZINC22_6935610,PC-id_20166069	372.481	PJBQYCMXCFNMFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096112
CC(NC(=O)c1c(NC(=O)c2ccccc2O)sc2c1CCCCC2)C	PC-id_145974626	372.481	CGYKAODLIUJULT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096113
CCOc1ccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)cc1OC	EMOLS-id_334603127	372.481	CHTUZDSNJTTWSA-ZRDIBKRKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096114
COc1cccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCC3)c1	PC-id_9161970,EMOLS-id_24035839,CoCoCo_3198574,ZINC22_8031263,MCULE-2848595600	372.481	CYCQLOLDFREOMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096115
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COc1ccc(NC(=O)C)cc1NC(=O)c1cc2c(s1)CCCCCC2	ZINC22_11656796,PC-id_43004506,EMOLS-id_44513375,MCULE-3297488629	372.481	GDCPUVMIBGFYNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096117
COc1ccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCC3)cc1	ZINC22_8302990,PC-id_9426402,ChEMBL-DNDi_CHEMBL1375945,CoCoCo_3200269,MCULE-7882849281,CHEMBL1375945,EMOLS-id_42652921	372.481	VHWDBMHJEFTZOK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096118
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s1c2c(CCCCC2)cc1C(=O)NC1CCN(CC1)C(=O)c1occc1	PC-id_16606698	372.481	WDWOLXGVVDMSBW-UHFFFAOYSA-N	00000000101010000100000000000010000000000000000000000000	31-01-096127
s1c2CCCCCc2cc1C(=O)Nc1cc(OCC(=O)NCC)ccc1	PC-id_39043334	372.481	SPJRBRLEUBFKSX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096128
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(OCC)c(OC)cc1	PC-id_78620883	372.481	XPZRDYLFJGWYGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096129
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(OC)c(OCC)cc1	PC-id_78620842	372.481	UXXRALBIUIEUEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096130
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1ccc(OCC)cc1	PC-id_29911331	372.481	HULHMPSPNVCCAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096131
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1cc(OC)c(cc1)C	PC-id_55471738	372.481	JRFFEDRXUWHNKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096132
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1c(OC)ccc(c1)C	PC-id_24488095	372.481	VPIDRLZBIJNLDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096133
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1ccc(OC)cc1	PC-id_18287984	372.481	AYUWELPRSCWNDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096134
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1cc(OC)ccc1	PC-id_24543215	372.481	WUDRVFOYHUWWLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096135
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1c(OC)cccc1	PC-id_18285432	372.481	WLVYZKGGZXBEQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096136
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCOc1ccccc1	PC-id_31845723	372.481	IZZPTJDCWGZCQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096137
s1c2CCCCCc2cc1C(=O)NNC(=O)CCOc1ccc(cc1)C	PC-id_9300976	372.481	ZKYRIOQBBUVSAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096138
s1c2CCCCCc2cc1C(=O)NNC(=O)CCOc1c(cccc1)C	PC-id_9300984	372.481	YKTVULFUULQXRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096139
s1c2CCCCCc2cc1C(=O)NNC(=O)C(Oc1cc(ccc1)C)C	PC-id_55349329	372.481	VUQZEEDLUZNSLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096140
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(N(C)C)cc1	PC-id_7603368	372.481	VCWIVRXTKNLGRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096141
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(N(C)C)cc1)C(=O)OC	PC-id_5175055	372.481	DNRRUIYDNMMKMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096142
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OCC)cc1)C(=O)NC	PC-id_7475101	372.481	FIRJJKBGFYSVTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096143
s1c2c(CCCCC2)c(c1NC(=O)CCOc1ccccc1)C(=O)NC	PC-id_7475079	372.481	KLMPIDLXUQYYCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096144
s1c2c(CCCCC2)c(c1NC(=O)CCOCc1ccccc1)C(=O)N	PC-id_60546505	372.481	UMPLZVJTGSFJFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096145
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)C[C@@H]1CCC=C1)C)C#N	PC-id_8999591	372.481	UFXPMDGPAVQXEJ-KBPBESRZSA-N	00000011100000000100000000000010000000000000000000000000	31-01-096146
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)C[C@@H]1CCC=C1)C)C#N	PC-id_8999594	372.481	UFXPMDGPAVQXEJ-KGLIPLIRSA-N	00000011100000000100000000000010000000000000000000000000	31-01-096147
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)C[C@H]1CCC=C1)C)C#N	PC-id_8999599	372.481	UFXPMDGPAVQXEJ-UONOGXRCSA-N	00000011100000000100000000000010000000000000000000000000	31-01-096148
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)C[C@H]1CCC=C1)C)C#N	PC-id_8999602	372.481	UFXPMDGPAVQXEJ-ZIAGYGMSSA-N	00000011100000000100000000000010000000000000000000000000	31-01-096149
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)[C@@H]1CCC=CC1)C)C#N	PC-id_8948064	372.481	MJMFIYVMYUZJSY-KBPBESRZSA-N	00000000100011000100000000000010000000000000000000000000	31-01-096150
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)[C@@H]1CCC=CC1)C)C#N	PC-id_8948073	372.481	MJMFIYVMYUZJSY-KGLIPLIRSA-N	00000000100011000100000000000010000000000000000000000000	31-01-096151
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)[C@H]1CCC=CC1)C)C#N	PC-id_8948079	372.481	MJMFIYVMYUZJSY-UONOGXRCSA-N	00000000100011000100000000000010000000000000000000000000	31-01-096152
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)[C@H]1CCC=CC1)C)C#N	PC-id_8948084	372.481	MJMFIYVMYUZJSY-ZIAGYGMSSA-N	00000000100011000100000000000010000000000000000000000000	31-01-096153
s1c2c(CCCCC2)c(c1NC(=O)C(Oc1ccccc1)(C)C)C(=O)N	PC-id_30308719	372.481	PYNCJUWWBCWWBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096154
s1c2c(CCCCC2)c(c1NC(=O)COc1c(cccc1C)C)C(=O)N	PC-id_52894695	372.481	VHQHVCQEFGZROV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096155
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C1CCC=CC1)C)C#N	PC-id_55423911	372.481	MJMFIYVMYUZJSY-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-096156
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CC1CCC=C1)C)C#N	PC-id_84897202	372.481	UFXPMDGPAVQXEJ-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-096157
s1c2c(CCCCC2)c(c1NC(=O)Nc1c(cccc1)C)C(=O)OCC	PC-id_46726050	372.481	QXYAOSQVLZTKAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096158
s1c2c(CCCCC2)c(c1NC(=O)Nc1ccccc1)C(=O)OC(C)C	PC-id_4091551	372.481	XOSJQAJIYALIGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096159
s1c2CCCCCc2nc1NC(=O)c1cc(c(OC)c(OC)c1)/C=C/C	PC-id_16605147	372.481	JSVOISWKWZJROL-XBXARRHUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096160
s1c2CCCCCc2nc1NC(=O)c1cc(c(OC)c(OC)c1)CC=C	PC-id_24611798	372.481	GFXIEUYCDHWNRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096161
s1c2CCCCCc2nc1NC(=O)c1cc(c(OC)c(OC)c1)C=CC	PC-id_73279190	372.481	JSVOISWKWZJROL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096162
s1c2CCCCCc2nc1NC(=O)CCC(=O)c1ccc(OCC)cc1	PC-id_24611779	372.481	SKFLRPDQISHINW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096163
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)c1occc1	PC-id_34470079	372.481	FNWAPADWDIXOQM-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-096164
s1c2CCCCCCc2cc1C(=O)Nc1ccc(NC(=O)COC)cc1	PC-id_36351280	372.481	JOYOELMZGSYPCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096165
s1c2CCCCCCc2cc1C(=O)Nc1cc(NC(=O)C)c(OC)cc1	PC-id_35348058	372.481	GAYNVMHMIDUBAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096166
s1c2CCCCCCc2cc1C(=O)Nc1c(NC(=O)C)ccc(OC)c1	PC-id_56034878	372.481	XGLBIAGRQQPWOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096167
s1c2CCCCCCc2cc1C(=O)NCc1ccc(NC(=O)OC)cc1	PC-id_52619926	372.481	IUFPZDNFSKKNRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096168
s1c2CCCCCCc2cc1C(=O)NCCNC(=O)c1ccc(O)cc1	PC-id_52264525	372.481	NOZZFKVCNZKKOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096169
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(cc1)COC	PC-id_8621491	372.481	ZPPLAMSXEHLHFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096170
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(COC)ccc1	PC-id_9426553	372.481	FYGCPXNRCBIKLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096171
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1ccc(OC)cc1	PC-id_9441650	372.481	BLONUUSIUMHKSG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096172
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1c(OC)cccc1	PC-id_25443533	372.481	PKURWQZZOFMJEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096173
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@@H](Oc1ccccc1)C	PC-id_8140749	372.481	HDDHNYFWRVDMME-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096174
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@H](Oc1ccccc1)C	PC-id_8140750	372.481	HDDHNYFWRVDMME-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096175
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(Oc1ccccc1)C	PC-id_55349022	372.481	HDDHNYFWRVDMME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096176
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(OC)c1ccccc1	PC-id_60456546	372.481	XHVHYVLKFRTBRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096177
s1c2c(CCCCCC2)c(c1NC(=O)Cc1ccc(OC)cc1)C(=O)N	PC-id_4149104	372.481	KIENJUFRMKZZBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096178
s1c2CCCCCCc2nc1NC(=O)COc1ccc(cc1)C(=O)CC	PC-id_56022109	372.481	IEHZUIRDOKOTEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096179
s1c2CCCCCCc2nc1NC(=O)C(Oc1cc(ccc1)C(=O)C)C	PC-id_56176466	372.481	LHDYUEJSNNMBIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096180
CCNC(=NCc1ccc(c(c1)C)F)NCCc1nnc2n1CCCCC2	PC-id_111853796	372.483	DJJBLQSLIMKLOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096181
CCNC(=NCc1ccc(c(c1)F)C)NCCc1nnc2n1CCCCC2	PC-id_111846507	372.483	QKUTYCFNDWNWTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096182
CCNC(=NCc1ccc(cc1)F)NCCCc1nnc2n1CCCCC2	PC-id_111231841	372.483	IGFQBZWGLXNJAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096183
CCNC(=NCc1ccccc1F)NCCCc1nnc2n1CCCCC2	PC-id_111265357	372.483	YCERUTJFYKSIPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096184
CCNC(=NCc1cccc(c1)F)NCCCc1nnc2n1CCCCC2	PC-id_111876989	372.483	NPKFCESRSPVJJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096185
CCNC(=NCc1nnc2n1CCCCC2)NC(c1ccc(c(c1)F)C)C	PC-id_109657525	372.483	ZZJXFOHLHPPGBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096186
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccc(cc1C)F	PC-id_109584391	372.483	YDTIYCZQGPLBBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096187
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc(cc1)F	PC-id_111230571	372.483	DOXVOESFHZBDOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096188
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccccc1F	PC-id_111362059	372.483	GFABZBQVHQYGQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096189
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1cccc(c1)F	PC-id_111395651	372.483	ZWZAUSYXDVVSOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096190
CN=C(NCc1ccc(c(c1)C)F)NCCCc1nnc2n1CCCCC2	PC-id_111854320	372.483	LWWHMKTVUOORKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096191
CN=C(NC(c1ccc(c(c1)F)C)C)NCCc1nnc2n1CCCCC2	PC-id_109657541	372.483	KZZHMKAXVKBCAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096192
CN=C(N(Cc1cccc(c1)F)C)NCCCc1nnc2n1CCCCC2	PC-id_111286401	372.483	LYLMMHFOTZLLDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096193
CN=C(N(Cc1ccc(cc1)F)C)NCCCc1nnc2n1CCCCC2	PC-id_111307932	372.483	IOSISNYFYNCFKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096194
CN=C(NCc1ccc(c(c1)F)C)NCCCc1nnc2n1CCCCC2	PC-id_111847191	372.483	CLUJENJHGHYDTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096195
CN=C(NCC(c1cccc(c1)F)(C)C)NCc1nnc2n1CCCCC2	PC-id_111624790	372.483	UXTVEBHDXDCNEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096196
CN=C(NCCc1ccc(cc1)F)NCCCc1nnc2n1CCCCC2	PC-id_111230723	372.483	GBNIURWKWWDAMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096197
CN=C(NCCc1ccccc1F)NCCCc1nnc2n1CCCCC2	PC-id_111362925	372.483	OSCUSJXQVKDAPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096198
CN=C(NCCc1cccc(c1)F)NCCCc1nnc2n1CCCCC2	PC-id_111396481	372.483	FIRPLJMUBLCAFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096199
CN=C(NCCc1nnc2n1CCCCC2)NCCc1ccc(cc1C)F	PC-id_109583931	372.483	CCMGEIOAJWHFJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096200
COC(C1CCCC1)CN(S(=O)(=O)C)Cc1nnc2n1CCOCC2	MCULE-4878509456,EMOLS-id_320276949	372.483	PMBWFUGDOLDUDI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096201
COCCCCCC(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82166853,EMOLS-id_44452171,PC-id_70786816,MCULE-2179585480	372.483	PHUWPOBJHDMUQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096202
CO[C@@H](CN(Cc1nnc2n1CCOCC2)S(=O)(=O)C)C1CCCC1	ZINC22_1615551311	372.483	PMBWFUGDOLDUDI-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096203
CO[C@H](CN(Cc1nnc2n1CCOCC2)S(=O)(=O)C)C1CCCC1	ZINC22_1615551753	372.483	PMBWFUGDOLDUDI-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096204
COC(=O)c1sccc1S(=O)(=O)Nc1nc2c(s1)CCCCC2	MCULE-6751112908,PC-id_99808326,EMOLS-id_50300355,ZINC22_170627061	372.483	QDFYNKGHPRKYHE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-096205
N#Cc1c(NC(=O)c2ccc(c3ccccc3)cc2)sc2c1CCCCC2	ZINC22_3209594,PC-id_2329928,MCULE-8683138992,EMOLS-id_43827652,CoCoCo_3268395	372.483	ZKCIHMYOYPWVQJ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-096206
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)Cc1cccs1	ZINC22_91757416,MCULE-6370423162,EMOLS-id_46073723,PC-id_72904807	372.484	IMBCONWFLCOEDW-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-096207
c12CN(CCCn1nc(CNC(=O)c1cc3c(CCCC3)s1)c2)C(=O)C	ZINC22_85532816,PC-id_70756375,EMOLS-id_44441631,MCULE-3690761620	372.484	AYOVNVHJILWYMT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-096208
c12CN(CCCn1nc(CNC(=O)c1ccc(C)s1)c2)C(=O)C1CCC1	EMOLS-id_44444341,MCULE-5444514942,PC-id_70764409,ZINC22_85532947	372.484	NVRMQIKZYFMMRV-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-096209
c12CN(CCCn1nc(CNC(=O)c1csc(C)c1)c2)C(=O)C1CCC1	EMOLS-id_43568465,ZINC22_77356512,PC-id_70727588,MCULE-1840871513	372.484	JNJGWXUCINYJTF-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-096210
c12CN(CCCn1nc(CNC(=O)Cc1ccc(cc1)SC)c2)C(=O)C	PC-id_70705947,EMOLS-id_44423863,MCULE-1584411395,ZINC22_82086584	372.484	BMAMPRSPJCZQQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096211
c1(c2CCCCCCc2sc1NC(=O)c1ccnn1C)C(=O)NC1CC1	PC-id_17371792,CoCoCo_6806318,MCULE-5338710452,ZINC22_6827571,TIMTEC393368,EMOLS-id_4050097	372.484	PYNQKASQYZAEHV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-096212
c1(C(O)C2CCC2)cc2n(CCCN(C(=O)CSc3ccncc3)C2)n1	EMOLS-id_50545397,PC-id_90652667,MCULE-6629256994	372.484	APNCJRLGLLWRHE-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-096213
c1(C(=O)Nc2ccccc2)cc2n(CCCN(C(=O)CSC(C)C)C2)n1	ZINC22_65409123,EMOLS-id_32403018,MCULE-8484506985,PC-id_50966559	372.484	CGDOZFKGHHAQJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096214
c1(C(=O)NC2CCN(CC2)C(=O)c2cccs2)c2CCCCCc2[nH]n1	EMOLS-id_323253689,MCULE-7395997022	372.484	KJALRCKXDMWYLB-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-096215
c1(C(=O)N(C)CCSc2ccccc2)cc2n(CCCN(C(=O)C)C2)n1	EMOLS-id_32408008,ZINC22_65424573,PC-id_50969176,MCULE-8680535409	372.484	DOFRSRKVLHAVDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096216
c1(csc(C)c1)C(=O)N1CCCn2nc(CCC(=O)NC3CC3)cc2C1	PC-id_72876604,MCULE-8180957146,EMOLS-id_46053133,ZINC22_91593229	372.484	DCQROMSWAWQFBF-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-096217
Cc1csc(c1)C(=O)N1CCc2nc(C(=O)NCC3CC3)n(C)c2CC1	EMOLS-id_313768911,ZINC22_2055751278	372.484	DPJITXFCZUBDRZ-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-096218
Cc1csc(c1)C(=O)N1CCCn2ncc(C(=O)NC3CCCC3)c2C1	EMOLS-id_313765839,ZINC22_2055750894	372.484	JVLSFBFXYNOCCE-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-096219
Cc1nn(c(c1)N1CCC(C1=O)NC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_99811560	372.484	HHCABSYPVBQUGK-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-096220
CCc1ccc(cn1)C(=O)N1CCC(C(=O)N(C)C)c2nc(C)sc2C1	EMOLS-id_313742553	372.484	QTLLJKLHJOQKEU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096221
CCc1ccc(C(=O)N2CC[C@H](C(=O)N(C)C)c3nc(C)sc3C2)cn1	ZINC22_2055730020	372.484	QTLLJKLHJOQKEU-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096222
CCc1ccc(C(=O)N2CC[C@@H](C(=O)N(C)C)c3nc(C)sc3C2)cn1	ZINC22_2055730021	372.484	QTLLJKLHJOQKEU-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096223
CC(C)NC(=O)N1CCc2nc(C(=O)NCc3ccccc3)sc2CC1	PC-id_97442462,EMOLS-id_44303844,ZINC22_96146938	372.484	ZRJOXGFMICIZBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096224
C[C@H](N)C(=O)Nc1nc2c(s1)CCCCC2C(=O)NCc1ccccc1	CHEMBL567523,PC-id_45487856	372.484	VQEHUSZRPBZZLV-NBFOIZRFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096225
CCN(CC)C(=O)c1nc2CCN(CCc2s1)C(=O)Nc1ccccc1	ZINC22_96147049,PC-id_97442573,EMOLS-id_44304068	372.484	XNEQJDKDJXLBIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096226
CC(=O)NCCc1ccc(cc1)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3854848,CoCoCo_3854851	372.484	ZQPLLHZZRLLZJW-LGMDPLHJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096227
CC(=O)NCCc1ccc(cc1)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3854850,CoCoCo_3854849	372.484	ZQPLLHZZRLLZJW-GHRIWEEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-096228
CC(=O)NCCc1ccc(C(=O)CSc2nnc3n2CCCCC3)cc1	CoCoCo_3854847,EMOLS-id_3555392,ZINC22_7736982,MCULE-2229624395,PC-id_8851992	372.484	QVYYFMAOQKGSTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096229
Cn1ccc(n1)N1CCCC(C1=O)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_99672857	372.484	HIXZAKLMJHTOME-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096230
Cn1ncc(c1)N1CCC(C1=O)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_99363814	372.484	YXWYAGMEEDCODF-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-096231
Cn1ncc(c1)N1CCN(CC1=O)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_111714675	372.484	PKECFHDIQDFONL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096232
CN(C(=O)NNC(=O)c1sc2c(c1)CCCCCC2)Cc1cccnc1	CoCoCo_4429176,EMOLS-id_11815106,MCULE-6634862925,PC-id_16366532	372.484	UFHHRAMHJATOMB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-096233
N#Cc1c(NC(=O)CN2CCN3C(C2)CCC3=O)sc2c1CCCCC2	EMOLS-id_98433486	372.484	YSHHIOQTKPGFPC-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-096234
N#Cc1c(NC(=O)CN2CCN(C(=O)C2)C2CC2)sc2c1CCCCC2	EMOLS-id_97781997	372.484	WFTKSHCPTPCCGV-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-096235
N#Cc1c(NC(=O)C(N2CC(=O)N(C2)C2CC2)C)sc2c1CCCCC2	EMOLS-id_101261872	372.484	JFCKFAKIDBYAQY-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-096236
N#Cc1c(NC(=O)CN2CC(=O)N(C2)CC2CC2)sc2c1CCCCC2	EMOLS-id_100916262	372.484	XCHJCFXRVMJQRF-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-096237
Oc1cccc(c1)N1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110338184	372.484	VOUHFRGMXAHLLX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096238
O=c1n2CCCCCc2nn1C[NH+](Cc1ccc(N2CCOCC2)cc1)C	PC-id_41725618	372.484	LGPKVDJIMCHHKN-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-096239
O=C(C1CCCCN1C(=O)c1cccs1)N1CCCc2c(C1)cnn2C	EMOLS-id_101846485	372.484	VKPUPSUAFADMSL-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-096240
O=C(c1cccnc1N1CCOCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98580004	372.484	UBTVPWNDSGOVDK-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-096241
O=C(c1nccc(c1)N1CCOCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100999032	372.484	BCWIFQOEHYXIPP-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-096242
O=C(C(c1ccccc1)Sc1nnc2n1CCCCC2)N1CCOCC1	EMOLS-id_11736339,PC-id_16309647,MCULE-2967443345	372.484	NOPYMLOMFIIZBO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-096243
O=C(CCNC(=O)NCc1ccccc1)Nc1nc2c(s1)CCCCC2	ZINC22_12830000,EMOLS-id_19945733,MCULE-1263113807,PC-id_24611857,CoCoCo_4564246	372.484	JISLQUIEKOURIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096244
O=C([C@@H](Sc1nnc2n1CCCCC2)c1ccccc1)N1CCOCC1	PC-id_8211641,CoCoCo_4013245,ZINC22_7081552	372.484	NOPYMLOMFIIZBO-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-096245
O=C([C@H](Sc1nnc2n1CCCCC2)c1ccccc1)N1CCOCC1	ZINC22_7081557,CoCoCo_4013244,PC-id_8211645	372.484	NOPYMLOMFIIZBO-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-096246
O=C(Cn1ncc(c1)NC(=O)c1sc2c(c1)CCCCCC2)NC1CC1	PC-id_52718253,EMOLS-id_98234643	372.484	KGBUDLWZLGKABD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-096247
O=C(CSc1ccncc1)N1CCCn2nc([C@H](O)C3CCC3)cc2C1	ZINC22_221326101,PC-id_100067030	372.484	APNCJRLGLLWRHE-LJQANCHMSA-N	00001000100000101101000000000010000000000000000000000000	31-01-096248
O=C(CSc1ccncc1)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1	ZINC22_221326155,PC-id_100067031	372.484	APNCJRLGLLWRHE-IBGZPJMESA-N	00001000100000101101000000000010000000000000000000000000	31-01-096249
O=C(N1CCCc2c(C1)cnn2C)CCC(=O)N1CCc2c(C1)ccs2	EMOLS-id_101670160	372.484	QIVVEYRPEAGHGN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-096250
O=C(N1CCN(CC1)c1ccccc1O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110343175	372.484	NJFVULZYUTYIIE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096251
O=C(Nc1nc2c(s1)CCCCC2)NC1CCOC(C1)c1ccncc1	EMOLS-id_101386579	372.484	KATZRPNWXXDABQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-096252
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccc(cc1)C(=O)N(C)C	PC-id_93962437	372.484	OZCIYLTVNXULNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096253
O=C(Nc1nc2c(s1)CCCCC2)N[C@@H]1CCO[C@H](C1)c1ccccn1	EMOLS-id_101386567	372.484	AHZFIOJDSYGRLA-CZUORRHYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-096254
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)CCOC	PC-id_74805010	372.484	ITFHKBGBLBKYHN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-096255
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)CCOC	PC-id_42457779	372.484	ITFHKBGBLBKYHN-INIZCTEOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-096256
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)CCOC	PC-id_42457781	372.484	ITFHKBGBLBKYHN-MRXNPFEDSA-O	00000000100000110101000000000010000000000000000000000000	31-01-096257
s1c2CCCCC(c2nc1NC(=O)C(N)C)C(=O)NCc1ccccc1	PC-id_75116996	372.484	VQEHUSZRPBZZLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096258
s1c2CCCCCCc2nc1NC(=O)CCNC(=O)Nc1ccccc1	PC-id_56036870	372.484	FVWSBFYMOIVWMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096259
S(c1n2CCCCCc2nn1)CC(=O)c1ccc(C(NC(=O)C)C)cc1	PC-id_24523875	372.484	JHKXGCMWSOEKMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096260
S(c1n2CCCCCc2nn1)CC(=O)NC(Cc1ccccc1)C(=O)C	PC-id_46792325	372.484	HPYHEZRDSKQRDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096261
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](Cc1ccccc1)C(=O)C	PC-id_7877551	372.484	HPYHEZRDSKQRDS-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096262
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)C	PC-id_7877553	372.484	HPYHEZRDSKQRDS-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096263
CC(C)N(C)S(=O)(=O)NCc1cc2CN(CCCn2n1)C(=O)N(C)C	EMOLS-id_44443913,ZINC22_82135042,PC-id_70763135,MCULE-2895040194	372.486	ZMSCNIFFIWGLPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096264
c12CN(CCCn1nc(CNc1ccnc(SC)n1)c2)C(=O)C1CCC1	ZINC22_82126891,EMOLS-id_44441963,PC-id_70757322,MCULE-5680823427	372.488	YLGKISWTPZURSQ-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-096265
c12sc(c(C)n1cc(CNC(=O)CCc1cc3n(CCCNC3)n1)n2)C	MCULE-6083893925,EMOLS-id_43071157,PC-id_70713778,ZINC22_72430165	372.488	OEBXJBSCQXGOAI-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-096266
c1(C(=O)NC(C)c2cn3c(scc3)n2)cc2n(CCCN(C(C)C)C2)n1	EMOLS-id_32399296,PC-id_50964579,MCULE-5701986383	372.488	VNUYZXGLULHRNA-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-096267
c1(nncn1C)Sc1ccc(CN(C)Cc2c3CCCCCc3[nH]n2)o1	ZINC22_670452584,EMOLS-id_222770571,MCULE-5464892692	372.488	OTZKVRBXHYGLFU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-096268
Cc1ccc(cc1)C1CSCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163366	372.488	BJFQHSIAVIYQEW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096269
Cc1nccc(N2CCN(C(=O)Nc3nc4c(s3)CCCCC4)CC2)n1	MCULE-5529850550,ZINC22_185365490,EMOLS-id_111116026,PC-id_136530824	372.488	AAMKIGRRJPPGGD-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-096270
CC(C)N1CCCn2nc(C(=O)N[C@@H](C)c3cn4ccsc4n3)cc2C1	ZINC22_65405923,PC-id_95128178	372.488	VNUYZXGLULHRNA-ZDUSSCGKSA-N	00000000100000000101000100000010000000000000000000000000	31-01-096271
CC(C)N1CCCn2nc(C(=O)N[C@H](C)c3cn4ccsc4n3)cc2C1	ZINC22_65405924,PC-id_95128179	372.488	VNUYZXGLULHRNA-CYBMUJFWSA-N	00000000100000000101000100000010000000000000000000000000	31-01-096272
O=C(C1CCn2c(CC1)nnn2)Nc1ccccc1CN1CCSCC1	EMOLS-id_318290998	372.488	DHPKHMAJRHKWQG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-096273
O=C(N1CCN(CC1)c1ncccn1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101100953	372.488	RYWFJXVRGAPFJD-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-096274
O=C(N1CCN(CC1)c1nccnc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101100959	372.488	KDEBJKVXPXQGCF-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-096275
S(c1n2CCCCCc2nn1)CC(=O)N1CCN(CC1)c1ncccc1	PC-id_8379341	372.488	VYEFFEZXYYRVHY-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-096276
S=C1N=CC=CC1C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1	PC-id_75625749	372.488	LZDALOCPIXKAQZ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-096277
S=c1[nH]cccc1C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1	PC-id_51317258	372.488	NELOFSLQLJVCLJ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-096278
C/C/1=Cc2oc(c(c2)C(=O)OC(C)(C)C)C[C@H](CCC#C[C@H](C1)O)C(C)C	PC-id_101158172	372.498	XGLQEDHQJMWGBD-JCZBNBMJSA-N	00000000100000000110000000000010000000000000000000000000	31-01-096279
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1ccc(F)cc1	PC-id_52435557	372.499	KTZZTEQEIZWPJD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096280
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1c(F)cccc1	PC-id_29203876	372.499	GEURLIYHEBYUSD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096281
C(c1c2-c(c(c1)C)ccccc2)(c1c2-c(c(c1)C)ccccc2)c1ccccc1	PC-id_15732053	372.501	VJYOURRDTFMYRT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-096282
c12N(CCCCc1cc(C(=O)NC1CCS(=O)(=O)C1)s2)CCOC	MCULE-8363366482,EMOLS-id_97030433	372.503	FATBQIXXBALNGI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-096283
O=C(C1(CCOCC1)S(=O)(=O)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111783848	372.503	YXNRPIGNVCYPKY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096284
O=C(C(S(=O)(=O)C1CCOCC1)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_100324346	372.503	MVPPDYATMKDOHN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096285
S(=O)(=O)(C(C)C(=O)NNC(=O)c1sc2CCCCCc2c1)CCC	PC-id_60572680	372.503	KRRHNKLVXVLXAJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-096286
c12CN(CCCn1nc(CN1CCOCCC1)c2)Cc1ccc(CCC)o1	EMOLS-id_43185067,ZINC22_72174514,MCULE-7591256180,PC-id_56919165	372.504	ACRRYRZXTSQXTR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-096287
C1CCc2c(CC1)[nH]nc2CNC(=O)C1CCCCC1C(=O)N1CCCC1	PC-id_91765584	372.504	PWQXXYMVJFNEPZ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-096288
c1(NC(=O)CSc2ccc(cc2)OC)sc2c(CCCCC2)c1C#N	PC-id_18586102,ZINC22_10219195,MCULE-4638317142,EMOLS-id_5624842,CoCoCo_5190001	372.504	YCJFMQCQQYVSOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096289
CC1CCC(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)CC1	ZINC22_585110646	372.504	ROQQDOSRYFCNIJ-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-096290
CCCCc1nc2n(c1CNCCCC)C=CC(=CC2)C/C=C/C(=O)NO	PC-id_143648043	372.504	KUTXHBIRCDXIOL-JXMROGBWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-096291
CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)[C@]1(C)CC=CCC1)CCC2	ZINC22_1565554888	372.504	JIOIXSLDFJAVLD-OAQYLSRUSA-N	00000000100011000101000000000010000000000000000000000000	31-01-096292
CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)[C@@]1(C)CC=CCC1)CCC2	ZINC22_1614937185	372.504	JIOIXSLDFJAVLD-NRFANRHFSA-N	00000000100011000101000000000010000000000000000000000000	31-01-096293
CC(C)(C)CNC(=O)c1ncn2CCCN(Cc12)C(=O)C1(C)CCC=CC1	EMOLS-id_313787705	372.504	JIOIXSLDFJAVLD-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-096294
CCCCCOc1cc(CNCc2nnc3n2CCCCC3)ccc1OC	MCULE-2875189619,PC-id_121853984,EMOLS-id_51560681	372.504	PRQBXRGTYYLLDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096295
CCCCOc1ccc(cc1OCC)CNCc1nnc2n1CCCCC2	EMOLS-id_50939234,MCULE-6578542332,PC-id_121844140	372.504	QJLMHHFINJQIEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096296
C[C@H](Sc1ccc(O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_95048216,ZINC22_64037825	372.504	IOFCBTFIBLLEML-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096297
C[C@@H](Sc1ccc(O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_65476750,PC-id_95139520	372.504	IOFCBTFIBLLEML-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096298
COc1ccc(CN2CCCn3nc(cc3C2)C(O)CN(C)C)c(C)c1C	EMOLS-id_50549473,PC-id_90653769,MCULE-1428425157	372.504	ZPSHQAHHNLRPDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096299
COc1ccc(CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)c(C)c1C	PC-id_100067942,ZINC22_221427906	372.504	ZPSHQAHHNLRPDF-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096300
COc1ccc(CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)c(C)c1C	ZINC22_221427952,PC-id_100067943	372.504	ZPSHQAHHNLRPDF-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096301
C(=O)(N1CCCC1)[C@@H]1CCCC[C@@H]1C(=O)NCc1c2CCCCCc2[nH]n1	ZINC22_218824969,MCULE-5542277835,EMOLS-id_55618452	372.504	PWQXXYMVJFNEPZ-JKSUJKDBSA-N	00000010100010000101000000000010000000000000000000000000	31-01-096302
n1c(CNC(=O)C2CCN(CC2)C(=O)C2CCCC2)c2c(CCCCC2)[nH]1	ZINC22_91943316,EMOLS-id_46086935,MCULE-3820115047,PC-id_72922998	372.504	JCDVSZPQDZKGQZ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-096303
N#Cc1c(NC(=O)[C@@H]([N@H+](Cc2ccc(o2)C)C)C)sc2c1CCCCC2	GD-id_ZINC08879962,PC-id_40854981	372.504	XFAKKWODEUMIIS-AWEZNQCLSA-O	00000000101000000100000000000010000000000000000000000000	31-01-096304
N#Cc1c(NC(=O)C(Sc2ccc(cc2)O)C)sc2c1CCCCC2	EMOLS-id_35744955,MCULE-9706562316,PC-id_53539911	372.504	IOFCBTFIBLLEML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096305
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1	ZINC22_1565508162	372.504	PWQXXYMVJFNEPZ-CVEARBPZSA-N	00000010100010000101000000000010000000000000000000000000	31-01-096306
s1c2CCCCCc2cc1C(=O)Nc1sc2c(n1)ccc(OCC)c2	PC-id_7926180	372.504	DVZMGWMDHGZEPS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096307
s1c2CCCCCc2cc1C(=O)NCc1c[nH+]c(N2CCOCC2)cc1	PC-id_25959943	372.504	MYIWEDAHLZGKLC-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-096308
s1c2CCCCCc2c(c1NC(=O)CC[NH+](Cc1oc(cc1)C)C)C#N	PC-id_7987722	372.504	RZGPXJPZEZEREC-UHFFFAOYSA-O	00000000101000000100000000000010000000000000000000000000	31-01-096309
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+](Cc1oc(cc1)C)C)C)C#N	PC-id_40854985	372.504	XFAKKWODEUMIIS-CQSZACIVSA-O	00000000101000000100000000000010000000000000000000000000	31-01-096310
s1c2c(CCCCC2)c(c1NC(=O)C([NH+](Cc1oc(cc1)C)C)C)C#N	PC-id_74715012	372.504	XFAKKWODEUMIIS-UHFFFAOYSA-O	00000000101000000100000000000010000000000000000000000000	31-01-096311
s1c2CCCCCc2c(c1NC(=O)CSc1cc(OC)ccc1)C#N	PC-id_35040897	372.504	XRFOETVRGGDXCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096312
c1(C(=O)NCCS(=O)(=O)N2CCSCC2)c2CCCCCc2[nH]n1	MCULE-7405032413,EMOLS-id_323254449	372.506	MZQOEQCBTRRUAU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096313
C/C(=Cc1ccccc1)/CN1CCc2nnc(CCc3ccccc3)n2CC1	ChEMBL-DNDi_CHEMBL63235002,CoCoCo_1485751,ZINC22_12217234,CoCoCo_1485749,EMOLS-id_26013849,PC-id_42470905	372.506	DEOBDHDSCCIEEE-CZIZESTLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096314
C/C(=C/c1ccccc1)/CN1CCn2c(CC1)nnc2CCc1ccccc1	CoCoCo_1485748,CoCoCo_1485750	372.506	DEOBDHDSCCIEEE-ZZEZOPTASA-N	00000000100000110101000000000010000000000000000000000000	31-01-096315
CC(C(=O)N(C1CCS(=O)(=O)C1)C)Sc1nnc2n1CCCCC2	PC-id_17506816,MCULE-5697120491,EMOLS-id_16697390	372.506	QTKRIDRESGWYPQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096316
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	CoCoCo_4173164,ZINC22_12997583,PC-id_25658251	372.506	QTKRIDRESGWYPQ-NWDGAFQWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096317
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	CoCoCo_4173166,ZINC22_12997584,PC-id_25658252	372.506	QTKRIDRESGWYPQ-NEPJUHHUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096318
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	PC-id_25658250,CoCoCo_4173163,ZINC22_12997582	372.506	QTKRIDRESGWYPQ-VXGBXAGGSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096319
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC22_12997586,CoCoCo_4173165,PC-id_25658254	372.506	QTKRIDRESGWYPQ-RYUDHWBXSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096320
CCN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc2n1CCCCC2	PC-id_16381359,EMOLS-id_45708092,MCULE-8754666630	372.506	ROIUXIFZUADXRX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096321
CCN(C(=O)CSc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_6097776,PC-id_7877124	372.506	ROIUXIFZUADXRX-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096322
CCN(C(=O)CSc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_6097778,PC-id_7877126	372.506	ROIUXIFZUADXRX-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096323
CCS(=O)(=O)N1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110344482	372.506	ZOKUXZJVDZMLTE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096324
CS(=O)(=O)N1CCCn2nc(CNC(=O)CSCC3CC3)cc2C1	PC-id_70742293,EMOLS-id_44436731,ZINC22_82114757,MCULE-4589869567	372.506	SPOFIHCXLVFGEC-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-096325
n12CCN(CCc1nnc2CCc1ccccc1)CC(=Cc1ccccc1)C	MCULE-8773802400,PC-id_74806259	372.506	DEOBDHDSCCIEEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096326
O=C(C1CCN(CC1)S(=O)(=O)N)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110650744	372.506	ZSJYNFRUPDGBIL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096327
O=C(NC1CCCN(C1)S(=O)(=O)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110212848	372.506	ZHVXIPDZEVZFLU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096328
O=C(Nc1nc2c(s1)CCCCC2)NC1CCN(CC1)S(=O)(=O)C	EMOLS-id_110340375	372.506	XMABROXKKHHJSR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096329
O=C(Nc1nc2c(s1)CCCCC2)NCC1CCN(C1)S(=O)(=O)C	EMOLS-id_110285220	372.506	IJNFERMXDACCHW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096330
O=C(Nc1nc2c(s1)CCCCC2)NC[C@H]1CCCN1S(=O)(=O)C	EMOLS-id_110285235	372.506	FUNGYGHYFGTIJH-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096331
O=C(Nc1sc2c(n1)CCCCCC2)NCCN1CCCS1(=O)=O	EMOLS-id_101100995	372.506	DUGNPVVCAWDTFZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096332
c12CN(CCCn1nc(CN(C)CCC)c2)C(=O)CCc1c(C)c([nH]n1)C	MCULE-8342170211,EMOLS-id_43169730,PC-id_56913459,ZINC22_72477233	372.508	NIPBLRZIUMEDPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096333
c1(c(CC)nc(n2cccc2)s1)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323422375,MCULE-1367308954	372.508	FTQKVIBGOATMNO-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-096334
c1(C(=O)NCc2cc3n(CCCN(CC(C)C)C3)n2)c(C)n(nc1C)CC	ZINC22_82156686,EMOLS-id_44449331,MCULE-3429154737,PC-id_70778685	372.508	UFMQIKXAWMBQOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096335
Cc1cc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc(C)n1	MCULE-3548790291,ZINC22_24568961,EMOLS-id_30249118,PC-id_31905111	372.508	JVVHYVIQZOOWAU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096336
Cc1nc(c2ccc(CCN[C@H]3CCNC(=O)c4[nH]ccc34)s2)cs1	ZINC22_2325803625	372.508	REPQRYZSQHWZAO-AWEZNQCLSA-N	00000000100100000101100000000010000000000000000000000000	31-01-096337
Cc1nc(c2ccc(CCN[C@@H]3CCNC(=O)c4[nH]ccc34)s2)cs1	ZINC22_2325803626	372.508	REPQRYZSQHWZAO-CQSZACIVSA-N	00000000100100000101100000000010000000000000000000000000	31-01-096338
Cc1nn(CC(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)c(C)c1C	ZINC22_82135597,EMOLS-id_44442779,PC-id_70759766,MCULE-2312009602	372.508	SKROOTHLFDAQII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096339
CCCN1CCCn2nc(CNC(=O)CCn3nc(C)c(C)c3C)cc2C1	MCULE-8621880235,EMOLS-id_44426833,PC-id_70714209,ZINC22_82092952	372.508	NBCFTDBVVMHHEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096340
CCCN1CCCn2nc(CNC(=O)Cn3nc(C)c(CC)c3C)cc2C1	EMOLS-id_44426277,ZINC22_82092285,PC-id_70712634,MCULE-2673974621	372.508	DRYFEWGNCPOILT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096341
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1ccc(o1)C)C	PC-id_111366443	372.508	QCGOCLJSMLGHNQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-096342
COc1ccc(c2nc(CSc3nnc4n3CCCCC4)cs2)cc1	PC-id_32424708,EMOLS-id_23971543,CoCoCo_3082297,MCULE-6843403615,ZINC22_25115049	372.508	QSZNNDUSFSRRBY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-096343
COc1ccccc1c1nc(CSc2nnc3n2CCCCC3)cs1	EMOLS-id_11846427,MCULE-8079089340,ZINC22_9218620,PC-id_16382050,CoCoCo_3082194	372.508	XEKGEZQMZNCLAE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-096344
COc1cccc(c2nc(CSc3nnc4n3CCCCC4)cs2)c1	PC-id_7877568,CoCoCo_3082202,EMOLS-id_11844668,MCULE-5151000895,ZINC22_6098386	372.508	VQWAYWNVTOLWET-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-096345
N#Cc1c(NC(=O)CSc2nccn2C2CC2)sc2c1CCCCC2	MCULE-3515686762,PC-id_16587938,EMOLS-id_30241106,ZINC22_11892345	372.508	IGZLGMNVVPWQLF-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-096346
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(nn1C(C)(C)C)C(C)(C)C	EMOLS-id_101953809	372.508	JPZAMWQPMXKCJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096347
O=C(NCc1n2CCCCCc2nn1)CCc1c(n(nc1C)CC(C)C)C	PC-id_51266386	372.508	VJYFHDQQKFQFOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096348
O=C(NCCc1n2CCCCCc2nn1)c1nn(C(C)(C)C)c(C(C)C)c1	PC-id_55790742	372.508	UQLQMIFIEOSBCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096349
s1c2CCCCCCc2cc1C(=O)NNC=C(c1scc(n1)C)C#N	PC-id_84841961	372.508	XVQDSYXANJNPDT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096350
s1c2CCCCCCc2cc1C(=O)NN/C=C(/c1scc(n1)C)C#N	PC-id_8812191	372.508	XVQDSYXANJNPDT-GXDHUFHOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096351
s1c2CCCCCCc2c(c1NC(=O)CSc1nc(ccn1)C)C#N	PC-id_19643939	372.508	GMQFDGAUGYAYOZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096352
CC1CCc2nnc(n2N=C1C)Sc1cc2c(cc1C)nc(s2)NC	PC-id_90976951	372.511	NODUMPRUDXEPPM-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-096353
CCNC(=NCc1c(C)nn(c1C)C)NCCc1nnc2n1CCCCC2	PC-id_111952283	372.511	KCCFOCREPDGSTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096354
CCNC(=NCc1nnc2n1CCCCC2)NCCCn1nc(cc1C)C	PC-id_111279503	372.511	BUKJIJNPSFFSCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096355
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1cnn(c1)C)C	PC-id_111367255	372.511	YBCCSNZLGLZIJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096356
CCNC(=NCCCn1cccn1)NCCCc1nnc2n1CCCCC2	PC-id_111905233	372.511	XTZGBQJOZALEGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096357
CN=C(NCc1c(C)nn(c1C)C)NCCCc1nnc2n1CCCCC2	PC-id_111951359	372.511	UZCWRKRMAGYIDH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096358
CN=C(NC(Cc1c(C)nn(c1C)C)C)NCc1nnc2n1CCCCC2	PC-id_109538090	372.511	PDEQAQMSGCPZNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096359
CN=C(NCCc1nnc2n1CCCCC2)NCCCn1nc(cc1C)C	PC-id_111278241	372.511	KRIFPTMIGMYINX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096360
CC(CCOc1nc2c(s1)CCN(CC2)CCC1CCCCC1)(F)F	PC-id_145452160	372.516	LARJHAUMHPWDRM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096361
c12CN(CCCn1nc(CN1CC[C@H](F)C1)c2)CC1=CC[C@@H]2C(C)(C)[C@H]1C2	ZINC22_72154275,MCULE-8791544861,EMOLS-id_43149586,PC-id_56906636	372.523	BWDOIYXCJYBONW-WFXMLNOXSA-N	00001010100011000101001000000010000000000000000000000000	31-01-096362
FC1CN(Cc2nn3c(CN(CC4=CCC5C(C4C5)(C)C)CCC3)c2)CC1	PC-id_76437743	372.523	BWDOIYXCJYBONW-UHFFFAOYSA-N	00001010100011000101001000000010000000000000000000000000	31-01-096363
c1(NC(=O)COc2ccc(cc2C(C)(C)C)C)sc2c(CCCCC2)n1	MCULE-1426431643,EMOLS-id_334605175	372.524	DDEUBYDBKXKDCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096364
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(cc1)OCCCCCC	MCULE-4253345254,EMOLS-id_334603379	372.524	HWMUTDANCKCJFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096365
CC(C)(C)C(CN1CCC(=O)N(Cc2c1ccs2)Cc1ccccc1)O	PC-id_134786446	372.524	AAGXQXQVKGDWPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096366
CCCCCOc1cc(/C=C/c2nc3c(s2)NCCCC3)ccc1OC	PC-id_15069553,SCHEMBL8312074	372.524	GXZZWJQOVFECIE-ZRDIBKRKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096367
C[C@H]1OCCNCCCc2c(C1)cc(s2)C(=O)NCc1ccc(cc1)C	PC-id_142419280	372.524	QCWNEMOGWPPALD-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096368
s1c2c(CCCCC2)cc1C(=O)NCC(N1CCCCC1)c1occc1	PC-id_18279152	372.524	SOYQLAHSALXYDS-UHFFFAOYSA-N	00000000101010000100000000000010000000000000000000000000	31-01-096369
s1c2CCCCCc2cc1C(=O)NCC(N(C)C)c1cc(OC)ccc1	PC-id_55361962	372.524	YCSHUALNNLDHGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096370
s1c2CCCCCc2cc1C(=O)NCC(N(C)C)c1c(OC)cccc1	PC-id_55361961	372.524	YWSBRULYWGOMLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096371
s1c2CCCCCCCCCCc2nc1NC(=O)COc1ccccc1	PC-id_30377175	372.524	YEDNCMNMZBPXMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096372
s1c2NCCCCc2nc1C=Cc1cc(OCCCCC)c(OC)cc1	PC-id_53863338	372.524	GXZZWJQOVFECIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096373
CC(c1ccc2-c1ccccc2)NCCCc1csc(n1)c1ccccc1	PC-id_68814745,SCHEMBL3856892	372.526	IAEUUYSDRROSIH-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-096374
c12CN(CCC)CCCn1nc(CNC(=O)Cc1cccc(c1)SC)c2	PC-id_70747104,ZINC22_82120206,EMOLS-id_44438421,MCULE-7516824245	372.528	YMUUPTBTGKUGHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096375
c12CN(CCCn1nc(CNC(=O)c1ccccc1SC)c2)CC(C)C	EMOLS-id_44444797,PC-id_70765753,ZINC22_82137179,MCULE-3947392405	372.528	SIBJDAWEJHITIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096376
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1)SC)c2)CC(C)C	PC-id_70727000,ZINC22_82099868,MCULE-4135989084,EMOLS-id_44431283	372.528	FCJMIWGOFJLQIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096377
c1(cc2c(CCCCC2)s1)C(=O)NC1CCCN(Cc2c[nH]cn2)CC1	MCULE-4134295504,EMOLS-id_44423257,PC-id_70704239	372.528	GJQNIPHUHADVDH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096378
c1(NC(=O)CCn2c(C)c(c(C)n2)CC(=C)C)sc2c(CCCCC2)n1	MCULE-4750242688,EMOLS-id_323361671	372.528	MRHUBJFTAMHMFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096379
Cc1ccccc1CSCCNC(=O)CCc1cc2CNCCCn2n1	PC-id_70751825,MCULE-2227491476,EMOLS-id_43136424,ZINC22_72439071	372.528	WYHJHPYHGRNQMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096380
CCC(c1ccccc1)CNC(=O)C(Sc1nnc2n1CCCCC2)C	PC-id_16350195,MCULE-8887708565,EMOLS-id_3636173	372.528	KWKVXGZBQRLWCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096381
CCC(c1ccccc1NC(=O)C(Sc1nnc2n1CCCCC2)C)C	PC-id_16330560,MCULE-3075869350,EMOLS-id_3684065	372.528	UFGURQIYJSOXLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096382
CCCC(c1ccccc1)NC(=O)C(Sc1nnc2n1CCCCC2)C	EMOLS-id_3636447,PC-id_16350652,MCULE-9444802601	372.528	MCCGKMLZBIBKLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096383
CCC[C@H](NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2)c1ccccc1	CoCoCo_3854865,ZINC22_8539070,PC-id_40763232	372.528	MCCGKMLZBIBKLI-WBVHZDCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-096384
CCC[C@@H](NC(=O)[C@H](C)Sc1nnc2n1CCCCC2)c1ccccc1	CoCoCo_3854866,PC-id_40763242,ZINC22_8539081	372.528	MCCGKMLZBIBKLI-DOTOQJQBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096385
CCC[C@@H](NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2)c1ccccc1	PC-id_40763234,CoCoCo_3854867,ZINC22_8539073	372.528	MCCGKMLZBIBKLI-NVXWUHKLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096386
CCC[C@H](NC(=O)[C@H](C)Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_8539077,PC-id_40763238,CoCoCo_3854864	372.528	MCCGKMLZBIBKLI-RDJZCZTQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096387
CC(=C)Cn1nc(C)c(CCC(=O)Nc2nc3CCCCCc3s2)c1C	EMOLS-id_323365071,MCULE-4532313802	372.528	XGCXPUAHTXHQNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096388
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc2n1CCCCC2	CoCoCo_3081927,PC-id_7877211,ZINC22_6097887	372.528	UFGURQIYJSOXLQ-CABCVRRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-096389
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2	CoCoCo_3081928,ZINC22_6097884,PC-id_7877208	372.528	UFGURQIYJSOXLQ-HUUCEWRRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096390
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2	PC-id_7877209,ZINC22_6097885,CoCoCo_3081926	372.528	UFGURQIYJSOXLQ-LSDHHAIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096391
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc2n1CCCCC2	ZINC22_6097888,CoCoCo_3081925,PC-id_7877212	372.528	UFGURQIYJSOXLQ-GJZGRUSLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096392
CC[C@H](CNC(=O)[C@@H](C)Sc1nnc2n1CCCCC2)c1ccccc1	CoCoCo_3933821,ZINC22_7313612,PC-id_8410052	372.528	KWKVXGZBQRLWCE-HZPDHXFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096393
CC[C@@H](CNC(=O)[C@H](C)Sc1nnc2n1CCCCC2)c1ccccc1	PC-id_8410053,ZINC22_7313613,CoCoCo_3933822	372.528	KWKVXGZBQRLWCE-HOTGVXAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096394
CC[C@@H](CNC(=O)[C@@H](C)Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_7313611,PC-id_8410051,CoCoCo_3933823	372.528	KWKVXGZBQRLWCE-CVEARBPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096395
CC[C@H](CNC(=O)[C@H](C)Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_7313614,CoCoCo_3933820,PC-id_8410054	372.528	KWKVXGZBQRLWCE-JKSUJKDBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096396
C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nnc2n1CCCCC2	CoCoCo_3081907,ZINC22_9608781,PC-id_41143780	372.528	SPUAMYVYVVHDHM-HOTGVXAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096397
C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2	ZINC22_9608773,PC-id_41143778,CoCoCo_3081908	372.528	SPUAMYVYVVHDHM-JKSUJKDBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096398
C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2	ZINC22_9608777,PC-id_41143779,CoCoCo_3081905	372.528	SPUAMYVYVVHDHM-HZPDHXFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096399
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N[C@H](C)CCc1ccccc1	PC-id_41143781,ZINC22_9608785,CoCoCo_3081906	372.528	SPUAMYVYVVHDHM-CVEARBPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096400
CC(NC(=O)C(Sc1nnc2n1CCCCC2)C)CCc1ccccc1	MCULE-6470791733,EMOLS-id_43775502,PC-id_16351039	372.528	SPUAMYVYVVHDHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096401
CCOc1ccc(cc1)C1CCCN1Cn1nc2n(c1=S)CCCCC2	MCULE-7619904220,PC-id_17461870,EMOLS-id_13507273	372.528	LQXUHQAULACDDO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096402
CCOc1ccc([C@H]2CCCN2Cn2nc3n(c2=S)CCCCC3)cc1	CoCoCo_4207118,ZINC22_8189696,CoCoCo_4207117,PC-id_9324564	372.528	LQXUHQAULACDDO-GOSISDBHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096403
CCOc1ccc([C@@H]2CCCN2Cn2nc3n(c2=S)CCCCC3)cc1	PC-id_9324560,CoCoCo_4207115,ZINC22_8189694,CoCoCo_4207116	372.528	LQXUHQAULACDDO-SFHVURJKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096404
CN(CCN(C(=O)Nc1nc2c(s1)CCCCC2)Cc1ccccc1)C	PC-id_112825149	372.528	ZVUBMHFVMJVZTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096405
COc1ccccc1N1CCN(CCN2CCc3ncsc3CC2)CC1	CHEMBL4451351	372.528	MKGANIZVJZGXEI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096406
N#Cc1c(NC(=O)CCN2CCN3C(C2)CCC3)sc2c1CCCCC2	EMOLS-id_100958862	372.528	PALDNCVLGHQKRB-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-096407
N#Cc1c(NC(=O)C(N2CCN3C(C2)CCC3)C)sc2c1CCCCC2	EMOLS-id_100957050	372.528	MXZRHWAYICDDOZ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-096408
O=C(c1sc2c(c1)CCCCCC2)NC1CCN(CC1)c1nccn1C	EMOLS-id_100771502	372.528	OKEMXLKWOGVCIQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096409
O=C(Cc1cccs1)N1Cc2ccnn2C[C@@H](CCN2CCCCC2)C1	ZINC22_247862466	372.528	NCYPHDFDRSCSEC-KRWDZBQOSA-N	00000000100110000101000000000010000000000000000000000000	31-01-096410
O=C(Cc1cccs1)N1Cc2ccnn2C[C@H](CCN2CCCCC2)C1	ZINC22_247862470	372.528	NCYPHDFDRSCSEC-QGZVFWFLSA-N	00000000100110000101000000000010000000000000000000000000	31-01-096411
O=C(Cc1cccs1)N1CC(CCN2CCCCC2)Cn2nccc2C1	EMOLS-id_50373833	372.528	NCYPHDFDRSCSEC-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-096412
O=C(Cc1ccsc1)N1Cc2ccnn2C[C@H](CCN2CCCCC2)C1	ZINC22_247886264	372.528	XELVRTLUGRCVTA-GOSISDBHSA-N	00000000100110000101000000000010000000000000000000000000	31-01-096413
O=C(Cc1ccsc1)N1Cc2ccnn2C[C@@H](CCN2CCCCC2)C1	ZINC22_247886270	372.528	XELVRTLUGRCVTA-SFHVURJKSA-N	00000000100110000101000000000010000000000000000000000000	31-01-096414
O=C(Cc1ccsc1)N1CC(CCN2CCCCC2)Cn2nccc2C1	EMOLS-id_50376067	372.528	XELVRTLUGRCVTA-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-096415
O=C(N1CCCc2c(C1)cnn2C)NCC1(CCCCC1)c1cccs1	EMOLS-id_101728437	372.528	QEJWDDOOZNRWGJ-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-096416
O=C(NCCc1nnc2n1CCCCC2)c1cc2c(s1)CCCCCC2	EMOLS-id_44520915,MCULE-6621978736,PC-id_55483507,ZINC22_54450869	372.528	ZXZFWKTVISVIEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096417
O=C(N[C@H]1CCCN(Cc2c[nH]cn2)CC1)c1cc2c(s1)CCCCC2	PC-id_96570980,ZINC22_82083083	372.528	GJQNIPHUHADVDH-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096418
O=C(N[C@@H]1CCCN(Cc2c[nH]cn2)CC1)c1cc2c(s1)CCCCC2	ZINC22_82083082,PC-id_96570979	372.528	GJQNIPHUHADVDH-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096419
s1c2c(CCCCCC2)c(c1NC(=O)CN1CC2N(CCC2)CC1)C#N	PC-id_22194010	372.528	RJTQHLDHTMXCSZ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-096420
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1cccnc1	PC-id_30376735	372.528	ZGLGNJWCSHYYPR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096421
S(c1n2CCCCCc2nn1)CCCC(=O)Nc1c(cc(cc1C)C)C	PC-id_7876941	372.528	ZGJRPNGVOLSSDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096422
S(c1n2CCCCCc2nn1)C(C(=O)Nc1c(C(C)C)cccc1C)C	PC-id_78559265	372.528	APYGWRPLMZAXGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096423
S(c1n2CCCCCc2nn1)C(C(=O)Nc1ccc(C(C)(C)C)cc1)C	PC-id_24371219	372.528	NLFJLQUECJTMIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096424
S(c1n2CCCCCc2nn1)CC(=O)NCCc1ccc(C(C)C)cc1	PC-id_8379459	372.528	NDJGQSIOGJJEPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096425
S(c1n2CCCCCc2nn1)CC(=O)NC(CC(C)C)c1ccccc1	PC-id_46814173	372.528	DDMFRGKIDHGDIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096426
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](CC(C)C)c1ccccc1	PC-id_8521414	372.528	DDMFRGKIDHGDIE-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096427
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](CC(C)C)c1ccccc1	PC-id_8521415	372.528	DDMFRGKIDHGDIE-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096428
S(c1n2CCCCCc2nn1)[C@@H](C(=O)Nc1c(C(C)C)cccc1C)C	PC-id_7877199	372.528	APYGWRPLMZAXGU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096429
S(c1n2CCCCCc2nn1)[C@H](C(=O)Nc1c(C(C)C)cccc1C)C	PC-id_7877200	372.528	APYGWRPLMZAXGU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096430
S(CCC(=O)NCCc1n2CCCCCc2nn1)c1cc(c(cc1)C)C	PC-id_55535032	372.528	GWNZZKDPBKTREA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096431
S(CC(=O)NCCc1n2CCCCCc2nn1)c1ccc(C(C)C)cc1	PC-id_52280603	372.528	PTBFTCAUTKPYLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096432
c1cnc(N2CCN(CCCCN3CCc4ncsc4CC3)CC2)nc1	CHEMBL4438968	372.531	KTMPMYIMDGPOKZ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-096433
CCNC(=NCc1nnc2n1CCCCC2)NCCSc1ccccc1	PC-id_111372773	372.531	VHOYWICWFWMFIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096434
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1SC)C	PC-id_109680819	372.531	ILVBZAICPMQJDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096435
CN=C(NCc1nnc2n1CCCCC2)NCC(Sc1ccccc1)C	PC-id_111676630	372.531	PTYUWAWFICCNBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096436
CN=C(NCCc1nnc2n1CCCCC2)NCCSc1ccccc1	PC-id_111372859	372.531	HPQDBUIIDMZECR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096437
CSc1ccc(cc1)CN(C(=NC)NCc1nnc2n1CCCCC2)C	PC-id_111299123	372.531	LFTGOYKFQUNNIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096438
CCO[Si](c1ccc2-c1ccccc2)(c1ccc2-c1ccccc2)OCC	PC-id_139893938	372.532	QJPJLAPOIFWKON-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-096439
CO[Si](c1c(C)cc2-c1ccccc2)(c1c(C)cc2-c1ccccc2)OC	PC-id_139893948	372.532	UMMSPZJLPULFJH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-096440
s1c2CCCCCCc2cc1C(=O)NCCCN(S(=O)(=O)C)CC	PC-id_52718650	372.546	OOTPYELUIHCRKK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-096441
S(c1c2-c(c(Sc3ccc(cc3)C)c1)ccccc2)c1ccc(cc1)C	PC-id_12288474	372.546	ORSXOBXWAUYOOC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-096442
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CC(C)CC/C=C(/C)C	PC-id_72863855,EMOLS-id_46043967,MCULE-4399019649	372.547	XHHGYLSRHZGJLB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-096443
CC(=CCC[C@@H](C)CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)C	PC-id_97120376,ZINC22_91476211	372.547	XHHGYLSRHZGJLB-GOSISDBHSA-N	00001000100000000101000000000010000000000000000000000000	31-01-096444
CC(=CCC[C@H](C)CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)C	ZINC22_91476205,PC-id_97120375	372.547	XHHGYLSRHZGJLB-SFHVURJKSA-N	00001000100000000101000000000010000000000000000000000000	31-01-096445
CCNC(=NCCCc1nnc2n1CCCCC2)N1CC2C(C1)CCCC2	PC-id_109442231	372.551	OZYOEMNXNURYTD-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-096446
CCNC(=NCCCc1nnc2n1CCCCC2)NCCC1=CCCCC1	PC-id_111208737	372.551	SIARNVKFGQDDAX-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-096447
CSc1ccc(cc1)C[NH+]1CCN(CC1)Cc1nnc2n1CCCCC2	GD-id_ZINC42596773	372.551	DVWAIWLNVJLOEY-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-096448
S=c1n2CCCCCc2nn1C[NH+](Cc1c(N2CCCC2)cccc1)C	PC-id_8413399	372.551	WJCHWGBQFCYPMO-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-096449
S=c1n(CN2CC[NH+](CC2)CCc2ccccc2)nc2n1CCCCC2	PC-id_30960544,GD-id_ZINC23256881	372.551	GFZQJIXRPKYBIV-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-096450
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)c1c(c(ccc1)C)C	PC-id_40792753	372.551	MZPCQMLAZYSPOG-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-096451
CCCCCCC1(CCCCCC)COc2c(OC1)c(sc2C#C)C#C	SCHEMBL2337038,PC-id_58403362	372.564	IRPUFNMVVWZTMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096452
C(CCCCC)CCc1ccc(Cc2c3-c(cc2)ccc(C(C)C)cc3)cc1	PC-id_19815707	372.585	UTMDQWPFTACFML-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-096453
Brc1c(Cl)c(OC2CN(CCc3c2scc3)C)ccc1	PC-id_68412089,SCHEMBL2841618	372.708	NTJXKWCVFYUDIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096454
Brc1c(Cl)c(OC2CN(CCc3sccc23)C)ccc1	PC-id_68411884,SCHEMBL2841140	372.708	BNXZSJRHKBJGQL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096455
Brc1ccc(c(c1)Cl)CSc1nnc2n1CCCCC2	PC-id_115598147	372.711	WDQKYNRAWBARKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096456
Clc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)C(F)(F)F	EMOLS-id_101859751	372.773	WZDDEXMGYAAVMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096457
Clc1cc(NC(=O)N2CCCc3c(C2)cnn3C)cc(c1)C(F)(F)F	EMOLS-id_101858182	372.773	JDVVFWASDPFVDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096458
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)C(F)(F)F)Cl	EMOLS-id_101959288	372.773	UXGZHQWHLFAGFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096459
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(cc1Cl)C(F)(F)F	EMOLS-id_101943315	372.773	AIODNRHRTYVNOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096460
C1Cn2cc(nc2OCCN1S(=O)(=O)c1ccc(cc1)Cl)[N+](=O)[O-]	PC-id_89580376,SCHEMBL14966069	372.784	MRLSSGPNHFMFMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096461
c1(C(=O)N2CCn3c(CC2)nc(C(=O)N)c3)c(C)nc2ccc(Cl)cn12	EMOLS-id_331152643,MCULE-7033698201,ZINC22_1875243144	372.809	SKOSCLDTSQMNAR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096462
Clc1ncn(c2c(OC)cc(Nc3nn4CCCCC(=O)c4n3)cc2)c1	PC-id_66860039,SCHEMBL964701	372.809	KOBBJWVEWUJQSV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-096463
COc1ccc(cc1Cl)S(=O)(=O)N1CCc2nn(C)c(=O)n2CC1	MCULE-2600693846,PC-id_91910646,EMOLS-id_49731351	372.827	CTNQXHASRLCIJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096464
COc1ccc(cc1Cl)S(=O)(=O)NC1CCc2n[nH]c(=O)n2CC1	EMOLS-id_50586495,PC-id_91910822,MCULE-9178396532	372.827	WTJDPOYAMMXFEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096465
COc1cc(c(cc1OC)Cl)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_320111460,MCULE-1438364059	372.827	FSLVIYONXATBNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096466
COc1ccc(Cl)cc1S(=O)(=O)N1CCc2nn(C)c(=O)n2CC1	PC-id_91910644,EMOLS-id_49731347,MCULE-3009001215	372.827	CKHYCQZBEOXPCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096467
S(=O)(=O)(NC1CCc2n[nH]c(=O)n2CC1)c1c(OC)ccc(Cl)c1	EMOLS-id_50586041,MCULE-4959961069,PC-id_91910817	372.827	MVWNYMZDGZVOOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096468
Fc1cccc(c1CN(S(=O)(=O)N1CCCc2c(C1)cco2)C)Cl	EMOLS-id_99301747	372.842	UBOHAHKQANGPND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096469
Clc1cccc(c1)C1C(CC(=O)N1C)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99370780	372.845	LSHQZQLLCPFEJX-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-096470
Clc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCCCc3sccc23)cc1	PC-id_23120083,SCHEMBL5461865	372.847	JNSOSZMNZJBUQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096471
c1(C(=O)N2CCCn3c(cc(n3)C(CC)O)C2)c(Cl)c2c(cccc2)[nH]1	PC-id_90650255,MCULE-8447718292,EMOLS-id_50536539	372.849	CMQAGVGFSOEFTR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-096472
C[C@@]1(c2ccc(Cl)cc2)CC(=O)N(Cc2nnc3n2CCCCC3)C1=O	ZINC22_577047731	372.849	LXVJYJVZUWVUGU-IBGZPJMESA-N	00000010100000110101100000000010000000000000000000000000	31-01-096473
C[C@]1(c2ccc(Cl)cc2)CC(=O)N(Cc2nnc3n2CCCCC3)C1=O	ZINC22_577047732	372.849	LXVJYJVZUWVUGU-LJQANCHMSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096474
Cc1c(C(=O)N(C)Cc2nnc3n2CCCCC3)oc2c(Cl)cccc12	EMOLS-id_25665985,PC-id_40019113,CoCoCo_4758520,ZINC22_32786744,MCULE-3934549637	372.849	SAGVTWRCPATKDU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096475
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1[nH]c3ccccc3c1Cl)C2	PC-id_100055316,ZINC22_220255208	372.849	CMQAGVGFSOEFTR-MRXNPFEDSA-N	00000000100000100101000001100010000000000000000000000000	31-01-096476
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1[nH]c3ccccc3c1Cl)C2	ZINC22_220255276,PC-id_100055318	372.849	CMQAGVGFSOEFTR-INIZCTEOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-096477
Clc1c2oc(c(c2ccc1)C)C(=O)NCCc1n2CCCCCc2nn1	PC-id_60389560	372.849	ZXEAWGQMGLLONE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096478
Clc1cc2c(c(oc2cc1)C(=O)NCCc1n2CCCCCc2nn1)C	PC-id_51304506	372.849	AQDOEUOURHTNNZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096479
Clc1ccc(cc1)C1(C)CC(=O)N(C1=O)Cc1nnc2n1CCCCC2	EMOLS-id_316149306,MCULE-1702906763	372.849	LXVJYJVZUWVUGU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096480
Clc1ccc(cc1)N1CC(CC1=O)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670127	372.849	JJEYIENDAVTOOF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096481
Clc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc(OCC)c1OC	PC-id_7481107	372.849	OLPNCIFWIDSFLG-NTEUORMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096482
Clc1cc(C=C(c2n3CCCCCc3nn2)C#N)cc(OCC)c1OC	PC-id_78488733	372.849	OLPNCIFWIDSFLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096483
CN(C)CC1CN(Cc2ccnn2C1)C(=O)c1cc2cc(Cl)ccc2o1	EMOLS-id_50375691	372.849	SSBBDXPWSUJTRN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096484
CN(C)C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2ccnn2C1	ZINC22_248139265	372.849	SSBBDXPWSUJTRN-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096485
CN(C)C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2ccnn2C1	ZINC22_248139269	372.849	SSBBDXPWSUJTRN-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096486
COCCC1CN(Cc2cccn2C1)C(=O)c1cn2cc(Cl)ccc2n1	EMOLS-id_313838886	372.849	YCTSQFZXYAQHRP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096487
COCC[C@@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2cccn2C1	ZINC22_585095575	372.849	YCTSQFZXYAQHRP-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096488
COCC[C@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2cccn2C1	ZINC22_585095576	372.849	YCTSQFZXYAQHRP-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096489
O=C1CCCN1c1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101674727	372.849	URUGKPCKOPISRC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096490
O=C(N1CCCc2c(C1)cnn2C)C1CC(=O)N(C1)c1ccccc1Cl	EMOLS-id_101668202	372.849	UURZMAOEJBVGMZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096491
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3ccncc3Cl)C2)n1	EMOLS-id_50543133,PC-id_90652035,MCULE-2161387241	372.852	AFCVAXDDEJEFCK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096492
c1(C(=O)N(C)Cc2[nH]c3c(cc(cc3)Cl)n2)cc2n(CCCN(C)C2)n1	PC-id_50981137,ZINC22_67947192,EMOLS-id_32430520,MCULE-7214534976	372.852	ADMMZEPTGDRSOL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096493
Clc1ccc2c(c1)nc([nH]2)C(N(C(=O)C1CCn2c(CC1)nnc2)C)C	MCULE-1009245241,EMOLS-id_316549726	372.852	YERLOEBHRZVJPN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096494
Clc1cccc(c1)C1=CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102169000	372.852	JJIGZZPBELQLPN-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-096495
Clc1ncn(c2c(OC)cc(Nc3nc4n(n3)CCCCC4C)cc2)c1	PC-id_77943063	372.852	AYIATFYXBRHQFD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-096496
Clc1ncn(c2c(OC)cc(Nc3nc4n(n3)CCCC[C@H]4C)cc2)c1	PC-id_70876238,SCHEMBL13284703	372.852	AYIATFYXBRHQFD-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-096497
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(Cc1ccncc1Cl)C2	PC-id_100066491,ZINC22_221265313	372.852	AFCVAXDDEJEFCK-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096498
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(Cc1ccncc1Cl)C2	ZINC22_221265370,PC-id_100066492	372.852	AFCVAXDDEJEFCK-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096499
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(c2ccccc2Cl)o1	MCULE-5109186641,EMOLS-id_323391842	372.868	KQJDUZGVQSGRLS-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-096500
c1(sc2c(CCCCC2)n1)NC(=O)c1[nH]nc(c2ccc(cc2)Cl)c1	MCULE-2315057513,EMOLS-id_323250372	372.872	FTZFLJJVTPNYQI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-096501
Clc1cc(c2nc(on2)C[NH+](Cc2n[nH]c3c2CCCCC3)C)ccc1	PC-id_25286125	372.872	XTWLZFNSYBRVSP-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-096502
Clc1ccc(c2[nH]ncc2C(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_24611859	372.872	OXDYNZXUTVQZNE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-096503
Clc1c(n2ncc(C(=O)Nc3sc4CCCCCc4n3)c2)cccc1	PC-id_56220738	372.872	DAGOFWKWHYPPDI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-096504
Clc1c(n2nc(C(=O)Nc3sc4CCCCCc4n3)cc2)cccc1	PC-id_56227200	372.872	DLZUPQRUJOODFX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-096505
O=C(Nc1cc(Cl)ccc1n1cncn1)c1cc2c(s1)CCCCC2	ZINC22_6850151,EMOLS-id_3531816,PC-id_8097912,MCULE-2970243215,CoCoCo_3276241	372.872	TYPSAMXKIXFRID-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-096506
Clc1c(N)cc(S(=O)(=O)N2CCCCc3sccc23)c(OC)c1	SCHEMBL10300205,PC-id_59309643	372.89	YCMXNXTUSBIYIE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096507
c1(C(=O)N2CCN(CC2)c2c(C)ccc(Cl)c2)c2CCCCCc2[nH]n1	EMOLS-id_323254967,MCULE-5863088577	372.892	JDGUGIXLNHCVQN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096508
c1(C(=O)N2CCN(CC2)Cc2ccccc2Cl)c2CCCCCc2[nH]n1	MCULE-2731354770,PC-id_75490533,ZINC22_96232323,STOCK7S-47533,EMOLS-id_49249467	372.892	KFEJSSAEAWXBFM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-096509
Clc1ccc(C2=CCN(CCCc3n4CCOCCc4nn3)CC2)cc1	SCHEMBL7957191,PC-id_59939379	372.892	MFPDKFFJKQIFHC-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-096510
Clc1cccc(c1)C1(CCCC1)CNC(=O)C1CCn2c(CC1)nnc2	MCULE-1421111421,EMOLS-id_320172904	372.892	VPRHRYNTXQFGEV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096511
Clc1ccc(cc1)C1CCC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101692508	372.892	IHOYPWHNJJVJST-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096512
Clc1cccc(c1)C1CCC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101710649	372.892	GGKCIWKWFZPMAR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096513
Clc1cccc(c1)C1CCCC(C1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_318999247	372.892	KKNNCDKRYSNLDK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096514
Clc1ccccc1C1CCN(C1)C(=O)CCc1cc2CNCCCn2n1	PC-id_70726271,EMOLS-id_43093637,MCULE-6764289570	372.892	AYQIGNDSHNBWBB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096515
O=C(CCc1cc2n(n1)CCCNC2)N1CC[C@@H](c2ccccc2Cl)C1	PC-id_95866979,ZINC22_72418767	372.892	AYQIGNDSHNBWBB-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096516
O=C(CCc1cc2n(n1)CCCNC2)N1CC[C@H](c2ccccc2Cl)C1	ZINC22_72418768,PC-id_95866980	372.892	AYQIGNDSHNBWBB-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096517
CC(C)Sc1c(c(ccc1)Cl)C=C(C#N)c1nnc2n1CCCCC2	MCULE-6507576704,EMOLS-id_301141914,PC-id_86818616	372.915	OJGTVZUYTJEYQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096518
Clc1c(C2CCN(CC2)CCCc2onc3c2CCCCC3)cccc1	SCHEMBL7959597,PC-id_59939368	372.931	BJPGAYBQBVINKU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096519
Clc1cc(C2CCN(CC2)CCCc2onc3c2CCCCC3)ccc1	SCHEMBL7960253,PC-id_59939428	372.931	AIEBJKYUJIUBPJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096520
Clc1ccc(C2CCN(CC2)CCCc2onc3c2CCCCC3)cc1	SCHEMBL7963820,PC-id_21258082	372.931	XHZGFEGJELEFCP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096521
Clc1c(C2CCN(CC2)CCCc2n3CCCCCc3nn2)cccc1	SCHEMBL7961353,PC-id_59939409	372.935	KOQQUVFFGDLFMJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096522
Clc1cc(C2CCN(CC2)CCCc2n3CCCCCc3nn2)ccc1	PC-id_59939371,SCHEMBL7964136	372.935	FGGBCEYBMUSUIS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096523
Clc1ccc(C2CCN(CC2)CCCc2n3CCCCCc3nn2)cc1	PC-id_21258073,SCHEMBL7957361	372.935	NRIWRXRKKBHQQJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096524
Clc1ccc(cc1)N1CCN(CC1)CCCc1cnc2n1CCCCC2	SCHEMBL7949350,PC-id_59939416	372.935	IGNJSZCMAONMQN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096525
Clc1ccc(cc1)N1CCN(CC1)CCCc1[nH]nc2c1CCCCC2	SCHEMBL5776696,PC-id_17773156	372.935	SKRYSRXVAHCUIP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096526
BrC1CCCc2nn[se]c2CC1Br	PC-id_12579034	372.946	YCYANGXONKNBQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096527
IC(C1CCCCCCc2n(cc1c2)B(O)C)(C)C	PC-id_22081367	373.081	LETZFFJWEHNQAZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-096528
CC(C1=CC2=NSN=C2C=C1)N3CCC4=C(CC3)SC(=N4)NC(=O)C	PC-id_154685614	373.103	DBUKTIMFKPGDLI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096529
CN(CC1=NNC2=C1CCCCC2)C(=O)C3CC(=O)N(C3)C4=NC=CS4	PC-id_154566818,EMOLS-id_324191768,MCULE-5083808936	373.157	DDBYHRKPXCEFFG-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-096530
Brc1ccc(N/N=C/C(=O)c3c(c(oc3C)C)C(=O)C=C2)cc1	PC-id_71296796	373.201	DBIRCXUFSVQUHH-DEDYPNTBSA-N	00000000100000110110000000000010000000000000000000000000	31-01-096531
Brc1ccc(NN=C2C(=O)c3c(c(oc3C)C)C(=O)C=C2)cc1	PC-id_78052483	373.201	DBIRCXUFSVQUHH-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-096532
c12occ(C)c1cc(cc(Br)c2=O)N=Nc1ccc(cc1)OC	MCULE-4697552971	373.201	FNRLTJXQVUUMJL-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-096533
c1(ccc(=O)c2c(oc(c2c1O)C)C)N=Nc1ccc(Br)cc1	PC-id_135633802,MCULE-5478080378	373.201	HFJDSGOUCMUWCI-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-096534
Cc1oc(C)c2c1c(O)c(ccc2=O)/N=N/c1ccc(Br)cc1	EMOLS-id_46570955,ZINC22_95482109	373.201	HFJDSGOUCMUWCI-FMQUCBEESA-N	00000000100000110110000000000010000000000000000000000000	31-01-096535
COc1ccc(cc1)/N=Nc1cc(Br)c(=O)c2c(c1)c(C)co2	CoCoCo_6868689	373.201	FNRLTJXQVUUMJL-VXPUYCOJSA-N	00000000100000110110000000000010000000000000000000000000	31-01-096536
COc1ccc(cc1)/N=N/c1cc(Br)c(=O)c2occ(C)c2c1	PC-id_3345953,EMOLS-id_45926986,CoCoCo_6868688,SPECS-id_AA-504/34971052,ZINC22_4113894	373.201	FNRLTJXQVUUMJL-FMQUCBEESA-N	00000000100000110110000000000010000000000000000000000000	31-01-096537
COC(=O)Cc1[nH]cccc2c(cc1I)scc2	SCHEMBL14154898,PC-id_71088956	373.209	VEEHKDFKDVQOKZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-096538
Ic1cnc(nc1)Sc1nnc2n1CCCCC2	PC-id_115620653	373.216	BGBDXAZWXPNLRX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096539
Ic1cncnc1Sc1nnc2n1CCCCC2	PC-id_66320066,EMOLS-id_261011859	373.216	LDUWCVYRKWBHHP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096540
Brc1ccc(nc1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026716	373.229	XIPIXSUPIUAOQW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096541
Brc1cncc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026686	373.229	KKYHSIKKRMIBFC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096542
Clc1nc2-c(c1C#CC#Cc1c(Cl)nc3-c1ccccc3)ccccc2	PC-id_102277016	373.234	DQLJCQGXMIJPQS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-096543
CN(C[C@@H]1C[C@@H](CN1CC2=NC=CC=N2)F)CC3=NN=C4N3CCCCC4	MCULE-8603520114,EMOLS-id_99977428,PC-id_154755246	373.239	DTIUHOFTCJKRDH-HOTGVXAUSA-N	00000010100000100101000000000010000000000000000000000000	31-01-096544
Brc1ccc2c(c1)c(c[nH]2)CC(=O)N1CCCc2c(C1)c[nH]n2	MCULE-6446871914,EMOLS-id_320266637	373.247	ASHLGHCLLMXINA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-096545
Brc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1OC	PC-id_27115450	373.247	FIFOFQMIFJWUFU-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096546
Brc1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1OC	PC-id_74519849	373.247	FIFOFQMIFJWUFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096547
Brc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)c(OC)cc1	CoCoCo_3456355,PC-id_5832108	373.247	YRBKMKBUTPMXHJ-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096548
Brc1cc(C=C(c2n3CCCCCc3nn2)C#N)c(OC)cc1	MCULE-3726083735,EMOLS-id_26092873,PC-id_3457736	373.247	YRBKMKBUTPMXHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096549
Brc1cc(/C=C(c2n3CCCCCc3nn2)/C#N)c(OC)cc1	PC-id_75460348,CoCoCo_3456356	373.247	YRBKMKBUTPMXHJ-LCYFTJDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-096550
Brc1ccc(c(c1F)C(c1cc2c(s1)CCCCC2)O)F	PC-id_106945065	373.256	GAFCPDITVGXVDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096551
Brc1c(F)cc(C(O)c2sc3c(CCCCC3)c2)c(F)c1	PC-id_64212859	373.256	XGKUCTKVJBYSDH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096552
C1Cn2cc(nc2OCC1OCc1ccc(cc1)OC(F)(F)F)[N+](=O)[O-]	PC-id_137647992	373.284	HWOFSCGXHBVSNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096553
C1COc2nc(cn2CC1OCc1ccc(cc1)OC(F)(F)F)[N+](=O)[O-]	PC-id_137633608	373.284	MLVNQWRNETYUMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096554
Brc1c2c(n(COC([Si](C)(C)C)C)c1)C(=O)NCCC2=O	PC-id_70206413,SCHEMBL7848172	373.318	KIQUGMPZOTVXGQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-096555
Brc1c2c(n(C([Si](C)(C)C)OCC)c1)C(=O)NCCC2=O	PC-id_22371245,SCHEMBL7848174	373.318	KSRGCGLQQGJZAV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-096556
Brc1n(COC([Si](C)(C)C)C)c2c(c1)C(=O)CCNC2=O	PC-id_70203210,SCHEMBL7837388	373.318	BBLVQBGKLTVVGY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-096557
Brc1n(C([Si](C)(C)C)OCC)c2c(c1)C(=O)CCNC2=O	PC-id_22371246,SCHEMBL7837386	373.318	ZFZUFRSUHBATGE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-096558
BrCC([Si](C)(C)C)OCc1c2c([nH]c1)C(=O)NCCC2=O	PC-id_70206415,SCHEMBL7848176	373.318	OKHMZCVNPYNISX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-096559
Brc1cc(sc1)C(Sc1n2CCCCCc2nn1)CN	PC-id_61630351	373.335	NRYVGFQWYOQCSM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-096560
Brc1sc(C(Sc2n3CCCCCc3nn2)CN)cc1	PC-id_61629462	373.335	LJXCILQIPGPPFQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-096561
FC(F)(F)c1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)cc1	MCULE-9343482328,PC-id_53182810,EMOLS-id_33086350	373.35	AYCHEMXBZLCHIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096562
COC(=O)c1[nH]c(c2c1OCCOCCOCCOCCO2)C(=O)OC	PC-id_101697504	373.355	YFDVKLBVDNYKMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096563
COC(=O)c1c2-c(c(c1NC(=O)C)C(=O)OC)ccc(cc2)CC(=O)OC	PC-id_141580565	373.357	YMVFUTOEFNJUMI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-096564
CC(=O)c1ccc(cc1)NC(=O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965783,PC-id_89580172	373.363	KQRUGSIENJPMEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096565
O=C(c1cc(cc(c1)C(=O)O)[N+](=O)[O-])NCCc1nnc2n1CCCCC2	PC-id_119180004	373.363	BRRFAYLECLDVIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096566
CCCC1C=c2onc(c2=CC=C1OCCCC(=O)OCC)C(F)(F)F	PC-id_142247363	373.367	SLLRIHLTYORWEJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-096567
COC(=O)C=CCCNC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F	MCULE-4212534261	373.37	WFMSZZHUVVJKIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096568
COC(=O)/C=C/CCNC(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2	EMOLS-id_324055622,ZINC22_1875314404,PC-id_146100031	373.37	WFMSZZHUVVJKIB-WEVVVXLNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096569
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N/C(=C/C(=O)OCC)/C	PC-id_19523799	373.37	VSCVQYCAVCGOSM-PKNBQFBNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096570
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(=CC(=O)OCC)C	PC-id_73612447	373.37	VSCVQYCAVCGOSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096571
O=C(N1CCCc2c(C1)cnn2C)NC1CCCN(C1=O)CC(F)(F)F	EMOLS-id_101714891,MCULE-2724852645	373.373	NOAHKQHCUCUHRE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096572
CCOC(=O)c1c2-c(ccc(cc2)CC(=O)N(C)[O-])c(c1N)C(=O)OCC	PC-id_88258341	373.38	GKTCHIAYHUNUNX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-096573
COC(=O)c1noc2c1C(=O)C(=CC(=O)C2)SCCOc1ccccc1	PC-id_144380244	373.38	HNCDBXKLXRNJRA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-096574
Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948415	373.393	KRJNESLXVUMJMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096575
Cc1cc(ccc1C(F)(F)F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950971	373.393	QKXZUDZJQKOTLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096576
Cc1ccc(cc1S(=O)(=O)N1CCCc2c(C1)cnn2C)C(F)(F)F	EMOLS-id_101948604	373.393	XGNGDBZKVDYVLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096577
Cc1cc(ccc1S(=O)(=O)N1CCCc2c(C1)cnn2C)C(F)(F)F	EMOLS-id_101950923	373.393	URSPUAWRPUAVQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096578
CCC(c1scc(n1)C(F)(F)F)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100125330	373.393	OGCXZJKSJVNECF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096579
FC(F)(F)c1cccc(c1)S(=O)(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_222783900,ZINC22_670464106,MCULE-7575920172	373.393	KIGAVEMRRUKVGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096580
Cc1csc([C@@H](NC(=O)N2CCCc3c(cnn3C)C2)C(F)(F)F)n1	ZINC22_333951490	373.397	ZBFHUVKABDKZAD-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096581
Cc1csc([C@H](NC(=O)N2CCCc3c(cnn3C)C2)C(F)(F)F)n1	ZINC22_333951491	373.397	ZBFHUVKABDKZAD-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096582
CCC(c1scc(n1)C(F)(F)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316633688	373.397	NNFROKRHKSDEAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096583
O=C(N1CCCc2c(C1)cnn2C)NC(c1scc(n1)C(F)(F)F)C	EMOLS-id_101693621	373.397	JOHZIDYJWQKMMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096584
O=C(N1CCCc2c(C1)cnn2C)NC(C(F)(F)F)c1scc(n1)C	MCULE-6686149258,EMOLS-id_101858764	373.397	ZBFHUVKABDKZAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096585
O=C(NCCCc1nnc2n1CCCCC2)c1csc(C(F)(F)F)n1	MCULE-2809092848,ZINC22_189122758,EMOLS-id_313138988	373.397	YXLBOASJSDRRPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096586
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)Cc1c(ccc(c1)F)F	PC-id_90625653	373.398	AILPBUPBFIVHQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096587
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)Cc1cc(cc(c1)F)F	PC-id_90625654	373.398	FMFIMIDXNRUQFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096588
OCC(CN1CCN(CC1)C(=O)Cn1nc2n(c1=O)CCCCC2)(F)F	MCULE-4527280396,EMOLS-id_320190515	373.398	BVNBKEJSVXWATK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096589
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3ccc(c(F)c3)F)C2)n1	EMOLS-id_55685797,PC-id_91788983,MCULE-8855101030	373.4	SFBNCTYBBKACGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096590
CCOC(=O)c1c2c(c(C(=O)OCC)n1Cc1ccccc1)OCCCO2	PC-id_16217734,ZINC22_25760856	373.4	SXIQPPMHTMYVNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096591
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(F)c(F)c1)C2	PC-id_100180937,ZINC22_223025251	373.4	SFBNCTYBBKACGB-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096592
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(F)c(F)c1)C2	ZINC22_223025188,PC-id_100180926	373.4	SFBNCTYBBKACGB-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-096593
O1CC(CC)(CC)COc2c1c(n(c2C(=O)O)Cc1ccccc1)C(=O)O	PC-id_22721292	373.4	NLAODOJXRZYNNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096594
O=C1N(CCCc2c3-c(c(c2)C(=O)OC)ccccc3)C(=O)c2c1cccc2	PC-id_10317220	373.401	VOAAOEFNLUWGQS-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-096595
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1cc(OC)c2c(OCO2)c1	ZINC22_72428802,PC-id_56897581,EMOLS-id_43120671,MCULE-8758298802	373.403	KMORDJMTZNOJTL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-096596
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(cc1OC)OC	EMOLS-id_43060114,MCULE-5738818306,ZINC22_72433552,PC-id_56882788	373.403	AZZMJOSAKMUWMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096597
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)C(O)c1ccc(cc1)OC	EMOLS-id_43175569,PC-id_56915481,MCULE-4240580941	373.403	DDUPFGHUIWIBJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096598
CC(OC(=O)COC1CCc2n(nnc2C(CC1)(F)P)C(C)(C)C)C	SCHEMBL20807655,PC-id_138462957	373.403	GOZUKPOLOWVDHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096599
COc1ccc([C@H](O)C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)cc1	PC-id_95896793,ZINC22_72479397	373.403	DDUPFGHUIWIBJT-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096600
COc1ccc([C@@H](O)C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)cc1	PC-id_95896794,ZINC22_72479398	373.403	DDUPFGHUIWIBJT-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096601
CCOP(=O)(COC1=CCC=c2c(=C1)cc(s2)C(NO)C)OCC	PC-id_142984576	373.404	ISMRGSZZIYNQMP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-096602
NC(=O)c1ccccc1c1ccc(Cn2ccc3c2C(=O)NCCC3=O)cc1	PC-id_56680217,CHEMBL1796991	373.405	JGUFEGIXQHIDMN-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-096603
c1(cn2c(CCN(CC2)C(=O)c2c(C)noc2C)n1)C(=O)N1CC[C@@H](O)C1	MCULE-9537687509,ZINC22_1875248348,EMOLS-id_331145766	373.406	LVPPDIONJADGHP-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096604
CC(C)NC(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14969456,PC-id_89583028	373.406	LWQWRUNQTIMENY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096605
COc1ccc(NC(=O)C)cc1NC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_18870692,MCULE-8099443920,CoCoCo_4560117,ZINC22_14372311,PC-id_26064789	373.406	ZXEXZQNPRDPYNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096606
N#Cc1c(NC(=O)/C=Cc2ccc(s2)[N+](=O)[O-])sc2c1CCCCC2	CoCoCo_4975557	373.449	OAVCONBCUOSJAE-VURMDHGXSA-N	00000000100100000100000000000010000000000000000000000000	31-01-096835
COc1cc(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)on1	ZINC22_585110658,EMOLS-id_313782216	373.406	VPWKGVMOBLFRQP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-096607
COc1cc(C(=O)N2CCc3nc(C(=O)NCC4CC4)n(C)c3CC2)on1	EMOLS-id_313769423,ZINC22_2055751263	373.406	BCSQHPAGIWEECA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-096608
O=C(N1CCOCC1)Cn1ncc(c1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101038645	373.406	QDAIPSWUISTBFH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096609
O=C(NCCc1n2CCCCCc2nn1)c1cc([N+](=O)[O-])c(OCC)cc1	PC-id_55534931	373.406	SFZSBZJIJNLDPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096610
c12CN(CCCn1nc(C#N)c2)C(=O)c1ccc(cc1)c1ccncc1OC	MCULE-2943702776,EMOLS-id_337789065,ZINC22_2356167138	373.408	IXYRVLIYOGOETJ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-096611
CS(=O)(=O)N1CCN(C1=O)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625578	373.408	SDZBBIDUBHPGKV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096612
O=C(c1cnc2ccccn12)N1Cc2cccn2C[C@H](Oc2ccccn2)C1	ZINC22_575403996	373.408	KROCEEIVYAFVMC-KRWDZBQOSA-N	00000000100000101101000001000010000000000000000000000000	31-01-096613
O=C(c1cnc2ccccn12)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1	ZINC22_575403997	373.408	KROCEEIVYAFVMC-QGZVFWFLSA-N	00000000100000101101000001000010000000000000000000000000	31-01-096614
O=C(N1CC(Cn2cccc2C1)Oc1ccccn1)c1cnc2ccccn12	EMOLS-id_55751457	373.408	KROCEEIVYAFVMC-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-096615
O=C(Nc1ncc(s1)c1ccccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_319451935	373.408	PMPZNNXXDWZXEN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-096616
c12nnnn1CCCCC2C(=O)N1CCC(CC1)c1cc(n[nH]1)CC(=O)O	MCULE-8725008758,PC-id_56718381,EMOLS-id_36457173	373.41	DSOXOLQAZICWLV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096617
c12nnnn1CCCCC2C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	MCULE-2881302168,PC-id_56903144,EMOLS-id_43139216	373.41	HGJAGBRLKKWGDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096618
CCOC(=O)C1(CC1)C(=O)N1CCCn2nnc(Cn3nncc3C)c2C1	ZINC22_1565555063,EMOLS-id_313732312	373.41	PZNZLDYSIMLGFQ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-096619
CN(C)C(=O)N1CCCn2nc(CNC(=O)c3ccc(=O)n(C)n3)cc2C1	MCULE-8354859793,EMOLS-id_44452023,PC-id_70786367,ZINC22_82166596	373.41	AJFARKOYJHMVER-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096620
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CCCO1	SCHEMBL18366780	373.41	JUHYUKSGRMCOBU-ABLWVSNPSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096621
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1COCC1	SCHEMBL18366787	373.41	AWBJMWIRFSAXCZ-ABLWVSNPSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096622
O=C(NCc1nnc2n1CCCCC2)NCCNc1ccc(cc1)[N+](=O)[O-]	PC-id_86927503	373.41	SGQHRPIRWLFPEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096623
O=C(O)Cc1cc(C2CCN(C(=O)[C@@H]3CCCCn4nnnc34)CC2)n[nH]1	ZINC22_67879021,PC-id_95220673	373.41	DSOXOLQAZICWLV-CYBMUJFWSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096624
O=C(O)Cc1cc(C2CCN(C(=O)[C@H]3CCCCn4nnnc34)CC2)n[nH]1	ZINC22_67879025,PC-id_95220674	373.41	DSOXOLQAZICWLV-ZDUSSCGKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096625
O=C(O)CCc1cc2n(n1)CCCN(C(=O)[C@@H]1CCCCn3nnnc13)C2	ZINC22_72447281,PC-id_95880638	373.41	HGJAGBRLKKWGDQ-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096626
O=C(O)CCc1cc2n(n1)CCCN(C(=O)[C@H]1CCCCn3nnnc13)C2	ZINC22_72447282,PC-id_95880639	373.41	HGJAGBRLKKWGDQ-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096627
c1(ccc2n(ncn2)c1)C(=O)N1CCn2c(CC1)nc(Cc1ccccc1)n2	MCULE-9338592520,EMOLS-id_337782072,ZINC22_2356148217	373.411	MGOSWRIHXIXDBR-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-096628
c1(cccc2ncnn12)C(=O)N1CCn2c(CC1)nc(Cc1ccccc1)n2	MCULE-1987358436,PC-id_164696115	373.411	ORGCPEXXCIBTJX-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-096629
c1(cn2c(nccc2)n1)C(=O)N1CCn2c(CC1)nc(Cc1ccccc1)n2	EMOLS-id_337811576,ZINC22_2356164879,MCULE-4320977248	373.411	KNUGIBHEZLVDCG-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-096630
c1(cn2c(nccc2)n1)C(=O)N1CCn2c(CC1)nnc2Cc1ccccc1	PC-id_74237633,ZINC22_97527242,EMOLS-id_49654284,MCULE-2645833324	373.411	OKHNQJAYEOTHIC-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-096631
c1(cnc2cccnn12)C(=O)N1CCn2c(CC1)nc(Cc1ccccc1)n2	PC-id_164689928,MCULE-5254052729	373.411	IHKMJOGGQCSQCE-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-096632
c1(cnn2cccnc12)C(=O)N1CCn2c(CC1)nc(Cc1ccccc1)n2	MCULE-1714144823,EMOLS-id_337830161,ZINC22_2356144037	373.411	HFLKDJXPNFCRDQ-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-096633
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)c1ccc2c(c1)nn[nH]2	MCULE-8276162662,ZINC22_2356134658,EMOLS-id_337730549	373.411	WTMFMHALVQJUIB-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-096634
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)c1ccc2c([nH]nc2)n1	MCULE-4259201165,EMOLS-id_337793663,ZINC22_2356163769	373.411	QGXHLUHCDXQFJN-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-096635
CN1CCN(CC1)C(=O)C1CN(Cc2ncnn2C1)C(=O)c1ncn(C)n1	EMOLS-id_313724120	373.413	MCINCOUMTJZKIX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096636
CN1CCN(C(=O)[C@@H]2CN(C(=O)c3ncn(C)n3)Cc3ncnn3C2)CC1	ZINC22_1565553876	373.413	MCINCOUMTJZKIX-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096637
CN1CCN(C(=O)[C@H]2CN(C(=O)c3ncn(C)n3)Cc3ncnn3C2)CC1	ZINC22_1614940444	373.413	MCINCOUMTJZKIX-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096638
O=C(c1noc2c1CCCCC2)NCCC1CCN(CC1)CC(F)(F)F	EMOLS-id_100092570	373.413	KLXZUVBCXGWUTP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096639
CCC(c1nnc2n1CCCCC2)NC(=O)N1CCC(CC1)C(F)(F)F	EMOLS-id_111684597	373.416	FUVCCVOLRNXJHA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096640
FC(F)(F)C1CC(NC(=O)NCCc2n3CCCCCc3nn2)CCC1	PC-id_55598056	373.416	SAJVTAYZHDTFQG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096641
O=C(N1CCC(C1(C)C)C(F)(F)F)NCCc1nnc2n1CCCCC2	EMOLS-id_111281348	373.416	SFWOFEZWRVAPLM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096642
O=C(N1CCCc2c(C1)cnn2C)NCC1CCN(CC1)CC(F)(F)F	EMOLS-id_101713919	373.416	CVHIFVUNRHDDHJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096643
s1c2CCCCCc2nc1NC(=O)c1c(SC(F)(F)F)nccc1	PC-id_56084954	373.416	YCSJYZAMIJUHFZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096644
FC/C=C(/NC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C)C=C/CF	SCHEMBL21337351,PC-id_139471353	373.418	AQIXGHPTFCUFMJ-MJXUXYKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096645
CN=C(NC1CCN(C1)CC(F)(F)F)NCc1nnc2n1CCCCC2	PC-id_111914566	373.42	SBHCJLVESDJMFM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096646
CCNCCOc1ccc(c(c1)F)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_21953019,SCHEMBL6095595	373.421	HHMLCDLLNKJJJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096647
Fc1ccc(c(c1)CNC(=O)c1noc2c1CCCCC2)N1CCOCC1	EMOLS-id_100097964	373.421	SPXKVXAFBPBZIV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096648
Fc1cc(ccc1NCC1CCCO1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101033401	373.421	YKZMYMTVYCUDIY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-096649
c1(NC(=O)c2ccc3c(OCO3)c2)sc2c(CCCCC2)c1C(=O)OC	TIMTEC536039,ZINC22_671892,MCULE-1933576186,SPECS-id_AK-968/13146238,TOSLab_8551,CoCoCo_901695,PC-id_1011317,EMOLS-id_2198934	373.423	WVUJKMVXCUWDMJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-096650
s1c2CCCCCc2cc1C(=O)OCC(=O)c1cc([N+](=O)[O-])c(cc1)C	PC-id_7351980	373.423	KVWHPHMMNGRQOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096651
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc2OCOc2cc1	PC-id_2665068	373.423	QMCGHGPLFJIZJV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-096652
s1c2c(CCCCC2)c(c1NC(=O)c1c2OCOc2ccc1)C(=O)OC	PC-id_55967977	373.423	YWVSCIXRWPZEHH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-096653
c12C(CCCCn1nnn2)C(=O)NCC1(CCOCC1)c1cccc(F)c1	MCULE-2678684860,PC-id_118781709,EMOLS-id_68913704	373.425	WOELVVSYNAQDLB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096654
c12CN(CCCn1nc(CN1CCC(CC1)F)c2)C(=O)c1cccnc1O	ZINC22_72151289,PC-id_56904807,MCULE-5887857923,EMOLS-id_43144152	373.425	REWQILGBZDYVKI-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-096655
c12CN(CCCn1nc(CNC(=O)c1ccc(c(C)c1)F)c2)C(=O)N(C)C	MCULE-7815108622,ZINC22_82087484,EMOLS-id_44424729,PC-id_70708390	373.425	TZWKSCZBIBNTEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096656
c12CN(CCCn1nc(CNC(=O)c1ccc(c(F)c1)C)c2)C(=O)N(C)C	ZINC22_82138866,PC-id_70770830,EMOLS-id_44446573,MCULE-7840482968	373.425	GBBIBQDUQRFKPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096657
c12CN(CCCn1nc(CNC(=O)Cc1ccccc1F)c2)C(=O)N(C)C	ZINC22_82096613,EMOLS-id_44427675,MCULE-5321319561,PC-id_70716706	373.425	FWGMVVWUUKPOTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096658
c12CN(CCCn1nc(CNC(=O)C(F)c1ccccc1)c2)C(=O)N(C)C	EMOLS-id_44451539,PC-id_70785048,MCULE-3028261157	373.425	YWKGXFUQZVSREH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096659
c12CN(CCCn1nc(CNC(=O)NCCc1ccccc1F)c2)C(=O)C	PC-id_70785219,MCULE-1646447142,EMOLS-id_44451597,ZINC22_82161971	373.425	LZPZMESNWBAMDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096660
c12CN(CCCn1nc(CNC(=O)N[C@H](C)c1ccc(cc1)F)c2)C(=O)C	PC-id_70769122,ZINC22_91876794,MCULE-6254072281,EMOLS-id_44446015	373.425	ZUDDMCVAUFVQOZ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096661
c12C(=O)N(CCCn1nc(C(=O)NCCN(C)C)c2)Cc1cccc(F)c1	MCULE-1531453232,EMOLS-id_32632928,PC-id_53007957	373.425	GEKKWRLBCBSLJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096662
C1CCc2nn(c(=O)n2CC1)CC(=O)N1CCN(CC1)c1ccccc1F	PC-id_91916540	373.425	UDTJBQJOEZFNDQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096663
Cc1ccc(CNC(=O)c2nnc3CN(CCCn23)C(=O)CCF)cc1C	ZINC22_1565553011,EMOLS-id_313790263	373.425	GRUDSSUVOXCDMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096664
Cn1nc2CCCCC(C(=O)N3CCN(CC3)c3ccccc3F)n2c1=O	MCULE-5226904228,EMOLS-id_207869433	373.425	HQDXFHJHEXKMPX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096665
CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@H](F)c3ccccc3)cc2C1	ZINC22_82161894,PC-id_96581416	373.425	YWKGXFUQZVSREH-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096666
CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@@H](F)c3ccccc3)cc2C1	ZINC22_82161895,PC-id_96581417	373.425	YWKGXFUQZVSREH-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096667
Fc1ccc(cc1)CC1(CCOCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_318223676	373.425	WVDVGJJUFCLUCZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-096668
Fc1cccc(c1)CNC(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97519064	373.425	WVBNXUJMOFZYAB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-096669
Fc1ccc(cc1)N1CCN(CC1)C(=O)Cn1nc2CCCCCn2c1=O	PC-id_75526896,EMOLS-id_48461817,SPECS-id_AT-687/NB01960,MCULE-9765142845,ZINC22_73515710	373.425	RSFOLBLBCHNTHI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096670
Fc1ccc(CC(=O)N2CCc3ncc(CN4CCOCC4)n3CC2)nc1	ZINC22_1565542824,EMOLS-id_313778634	373.425	VKNGVWSLMWYWRY-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-096671
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCN(C)C)cc1	PC-id_50797945	373.425	RHDBSJJEVXHDME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096672
Fc1ccc(CNC(=O)NC2CCc3nn(CC4CC4)c(=O)n3CC2)cc1	MCULE-8225218800,EMOLS-id_168607893	373.425	OUJKVRNEYJBSAN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-096673
Fc1ccc(C(NC(=O)NCc2nn3CCCN(Cc3c2)C(=O)C)C)cc1	PC-id_78086213	373.425	ZUDDMCVAUFVQOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096674
FC1CCN(CC1)Cc1nn2c(CN(CCC2)C(=O)C2C=CC=NC2=O)c1	PC-id_76437300	373.425	IUHXKVAVGSQMGL-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-096675
Fc1cc(NC(=O)N2CCCc3c(C2)cnn3C)cc(c1)N1CCOCC1	EMOLS-id_101968698	373.425	BVHHTPQAVXSDON-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096676
OC1CC(N(C1)C(=O)NCc1nnc2n1CCCCC2)c1cccc(c1)F	EMOLS-id_318161956	373.425	DYGLSZKCFKSWGL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-096677
O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1CCCCn2nnnc12	ZINC22_299783605	373.425	WOELVVSYNAQDLB-INIZCTEOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096678
O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CCCCn2nnnc12	ZINC22_299783611	373.425	WOELVVSYNAQDLB-MRXNPFEDSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096679
S(=O)(=O)(N1CCC(CC1)C(=O)OC)CC1n2c(noc2=O)CCCC1	PC-id_22901419	373.425	FJTWGTGVRWWTHR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-096680
c1(cc2c(CCCCC2)s1)C(=O)NNC(=O)Nc1ccc2c(OCO2)c1	CoCoCo_6837675,EMOLS-id_4050824,MCULE-7491210267,PC-id_17378316,TIMTEC142691	373.426	FEVWBFWBNJIPLY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-096681
c1(NC(=O)c2ccc(c(c2)N(=O)=O)C)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_1771632,ZINC22_6278653,TIMTEC262841,MCULE-6489524338,CoCoCo_6782307,PC-id_3336720	373.426	KIVOUNLDRJKZCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096682
s1c2CCCCCc2cc1C(=O)OCC(=O)NCCOc1ccccc1	PC-id_8522032	373.466	VTWHOMLKIBPLKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096932
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCCCC2)c1C(=O)NC	MCULE-7920074741,EMOLS-id_30116661,CoCoCo_5058690,PC-id_7475098,ZINC22_5055817	373.426	VVZACMFPWOIYHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096683
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_2368393,PC-id_1358404,ZINC22_1199999,TIMTEC97411,CoCoCo_6793445,ChEMBL-DNDi_CHEMBL5693546,MCULE-4900554302	373.426	CGGNDUKWQOVKLT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096684
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCCCCC2)c1C(=O)N	MCULE-1898026906,CoCoCo_684605,TIMTEC503570,PC-id_2162689,ZINC22_2734191,EMOLS-id_2369136,ChEMBL-DNDi_CHEMBL5702204	373.426	VLKZJOZSCJVGRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096685
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCCCCC2)c1C(=O)N	ZINC22_5671419,MCULE-1431725190,TIMTEC411378,EMOLS-id_5360467,CoCoCo_6845582,PC-id_3471020	373.426	QSPNTKUQGBKWCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096686
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_1769918,PC-id_4154443,MCULE-8479322986,ZINC22_4177969,CoCoCo_1739903	373.426	NXYXTVHWTCQGAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096687
c1(NC(=O)Cc2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C(=O)N	CoCoCo_6796940,MCULE-8791491704,ZINC22_657009,EMOLS-id_2202382,SPECS-id_AK-968/41926530,PC-id_1001365,TIMTEC240237	373.426	JJZCILCSEOHMRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096688
Cc1c(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cccc1[N+](=O)[O-]	PC-id_4190072,ZINC22_6254641	373.426	NEKYIFAGZRRXEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096689
COc1c(cc(cc1)C=CC(=O)Nc1nc2c(s1)C(=O)NCCC2)OC	PC-id_90625372	373.426	XNGIPQGJRAABSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096690
N#CCNS(=O)(=O)c1cc(ccc1C)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_100661768	373.426	ZEWYDUWNOZHQGN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096691
O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nc2c(s1)CCCCC2	PC-id_47018243,ZINC22_12829044,EMOLS-id_30692572,MCULE-3059041134	373.426	FMBDOFHMKRJGHR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-096692
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(c([N+](=O)[O-])cc1)C	PC-id_9301209	373.426	LHDZTIVOQULYDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096693
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(c([N+](=O)[O-])ccc1)C	PC-id_31845931	373.426	IWBSNIZKODHCMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096694
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(cc1)C	PC-id_34035597	373.426	YIQZWWAAOMLXBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096695
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c([N+](=O)[O-])c(ccc1)C	PC-id_31845059	373.426	HBNXPAOJBPNEMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096696
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1	PC-id_9301279	373.426	KHQQJGBSNRGHRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096697
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1c([N+](=O)[O-])cccc1	PC-id_31541676	373.426	XKLTULPHCZCTTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096698
s1c2c(CCCCC2)c(c1NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC	PC-id_7475052	373.426	NBJRPLSOEGFTOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096699
s1c2c(CCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])ccc1)C(=O)NC	PC-id_7475053	373.426	UBRFCXNHVPTEOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096700
s1c2c(CCCCC2)c(c1NC(=O)Cc1c([N+](=O)[O-])cccc1)C(=O)N	PC-id_55334079	373.426	OTIDQKOMDDUKQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096701
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1onc(c1)C)C)C#N	PC-id_9383693	373.426	UEIJHIXACKFSOW-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-096702
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1onc(c1)C)C)C#N	PC-id_9383694	373.426	UEIJHIXACKFSOW-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096703
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(onc1C)C)C#N	PC-id_3898631	373.426	AONXDGAUJOXQPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096704
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1onc(c1)C)C)C#N	PC-id_84997287	373.426	UEIJHIXACKFSOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096705
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_9441628	373.426	GZOBSCFTFIGSJL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096706
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])ccc1	PC-id_9441624	373.426	KFARYKAHHRDYCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096707
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c([N+](=O)[O-])cccc1	PC-id_8140738	373.426	MELXXYDFSHVYEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096708
c1ccc(cc1)c1c(c(ncc1)/C(=C/1C=Cc2c(C=N1)scc2)/O)C(=O)N	PC-id_137123681	373.428	CYWDOCDRGXRMEO-SILNSSARSA-N	00000000100000111110100000000010000000000000000000000000	31-01-096709
Fc1cccc(c1)CN1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165214	373.428	BWAPQJOLTQIVBG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-096710
Fc1cccc(c1)N1CCN(C(C1)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161266	373.428	LEUWBRNHBKZDLA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096711
O=C(c1nccc(c1C(=O)N)c1ccccc1)C1=CC=c2c(=CN1)scc2	SCHEMBL17845852	373.428	PDTYWOMRXQHBRP-UHFFFAOYSA-N	00000000100000111110100000000010000000000000000000000000	31-01-096712
O=C(NC1CCn2c(CC1)nnn2)NC1CCCN(C1)c1ccccc1F	EMOLS-id_102164800	373.428	UGBSLFXPQFQXST-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096713
O=C(NC1CCn2c(CC1)nnn2)NC1CCCN(C1)c1cccc(c1)F	EMOLS-id_102178121	373.428	OXNBSVBMRMUKBC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-096714
O=C(N(C(=O)c1cccnc1)c1ccccc1)C1=CC=c2c(=CN1)scc2	PC-id_121416112,SCHEMBL17845853	373.428	UKRMAKBBRSEFSN-UHFFFAOYSA-N	00000000100000111110000000000010000000000000000000000000	31-01-096715
c12nc[nH]c(=O)c1c(c(C(=O)N1CCCn3c(cc(n3)C(C)O)C1)s2)C	MCULE-4082302881,EMOLS-id_55606844,PC-id_91761415	373.429	QYKZLTNKJRHDCI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096716
c12sccc1nc([nH]c2=O)CN1CCCn2nc(CCC(=O)O)cc2C1	EMOLS-id_43100699,MCULE-1186610897,PC-id_136112889,ZINC22_72421761	373.429	FWINSWKTQHYHKZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096717
c1(cnn(CC)c1C(=O)Nc1sc2c(CCCCCC2)c1C#N)N(=O)=O	PC-id_1255118,EMOLS-id_2582453,TIMTEC206443,MCULE-2552278784,CoCoCo_1953109,ZINC22_1065980	373.429	HYHYDYBJOIHZLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096718
c1(NC(=O)CCCn2ncc(N(=O)=O)c2)sc2c(CCCCC2)c1C#N	TIMTEC225085,PC-id_4916305,CoCoCo_1979814,ZINC22_4686886,EMOLS-id_6803240,MCULE-5974699069	373.429	ISWXAAXKFJXNQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096719
c1(N(=O)=O)c(C)nn(CC(=O)Nc2sc3c(CCCCC3)c2C#N)c1C	STOCK2S-25818,Chemmine_58256,PC-id_996278,ZINC22_649885,SPECS-id_AK-968/37129034,CoCoCo_153873,MCULE-7464808874,EMOLS-id_1293977	373.429	KDTLDWCTDRQITO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096720
c1(sccc1NC(=O)CCN1CCCn2nc(C#N)cc2C1)C(=O)OC	ZINC22_65529864,EMOLS-id_32436000,PC-id_50984099,MCULE-9952711530	373.429	PHRHFSAMMUVSEF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-096721
Cc1nc(COC2CN(Cc3ccnn3C2)C(=O)c2ocnc2C)cs1	EMOLS-id_50011154	373.429	KKLLXBJAABIIEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096722
Cc1nc(CO[C@H]2CN(C(=O)c3ocnc3C)Cc3ccnn3C2)cs1	ZINC22_248026675	373.429	KKLLXBJAABIIEZ-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096723
Cc1nc(CO[C@@H]2CN(C(=O)c3ocnc3C)Cc3ccnn3C2)cs1	ZINC22_248026681	373.429	KKLLXBJAABIIEZ-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096724
CC(c1nn2CCCN(Cc2c1)C(=O)Cn1cnc2c(c1=O)scc2)O	MCULE-8055335858,PC-id_91785304,EMOLS-id_55675193	373.429	YJYLESQBCYBSMS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096725
CC(=O)N1CCCn2nc(CNS(=O)(=O)c3ccc(cc3)C#N)cc2C1	PC-id_70707295,ZINC22_82087089,EMOLS-id_44424343,MCULE-8078469500	373.429	VWSNKONSISUPFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096726
CNCC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)N	PC-id_58256764,SCHEMBL12598919	373.429	DZHVEQHRXXWXAF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096727
CNC(=O)Nc1sc2c(n1)CCCC(C2=O)C(=O)c1ccc(nc1)NC	SCHEMBL694720,PC-id_58256649	373.429	IUFVNSSNWGJRQX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096728
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3cccc(c3)C#N)cc2C1	ZINC22_82092473,MCULE-1917730700,PC-id_70713173,EMOLS-id_44426445	373.429	UGJWXWVEINSOGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096729
O=C(c1nc(n2c1cccc2)S(=O)(=O)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101670206	373.429	MJROMILOSUIADF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096730
O=C(c1sc2c(c1C)c(=O)[nH]cn2)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99971412	373.429	QYKZLTNKJRHDCI-SNVBAGLBSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096731
O=C(c1sc2c(c1C)c(=O)[nH]cn2)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99971414	373.429	QYKZLTNKJRHDCI-JTQLQIEISA-N	00000000100000100101000001000010000000000000000000000000	31-01-096732
O=C(c1sc2c(c1)c(=O)n(c(=O)n2C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101678420	373.429	IBGLPDNPHOZDOA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096733
O=C(N1CCCn2c(C1)cc(n2)[C@H](O)C)Cn1cnc2c(c1=O)scc2	PC-id_99982099	373.429	YJYLESQBCYBSMS-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096734
O=C(N1CCCn2c(C1)cc(n2)[C@@H](O)C)Cn1cnc2c(c1=O)scc2	PC-id_99982102	373.429	YJYLESQBCYBSMS-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-096735
S1C2C(=NC(=NC2=O)CN2CCCn3nc(cc3C2)CCC(=O)O)C=C1	PC-id_76425453	373.429	CGTZOCGPAMDWHS-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-096736
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc2c1cc(OC)cc2	PC-id_36421286	373.429	MZPBZWIKNKMKNX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-096737
C1CCc2nnc(n2CC1)/C(=C(/CSc1n[nH]c(=O)n1C1CC1)O)/C#N	PC-id_135529244	373.433	ANIRZWOAHSEODR-QXMHVHEDSA-N	00100000100000000101100000000010000000000000000000000000	31-01-096738
C1CCc2nnc(n2CC1)C(=C(CSc1n[nH]c(=O)n1C1CC1)O)C#N	PC-id_136815310	373.433	ANIRZWOAHSEODR-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-096739
c1(C(O)c2ccnn2C)cc2n(CCCN(C2)C(=O)c2csnc2N)n1	MCULE-5718274394,EMOLS-id_55672815,PC-id_91784482	373.433	MQJOPPYKXWMMAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096740
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)c1csnc1N)C2	PC-id_100106326,ZINC22_222542957	373.433	MQJOPPYKXWMMAC-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096741
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1csnc1N)C2	ZINC22_222542891,PC-id_100106317	373.433	MQJOPPYKXWMMAC-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096742
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COCCC(=O)NC(C)c1nnc2CCN(Cc3ccccc3O)CCn12	ChEMBL-DNDi_CHEMBL40401606,MCULE-8890512473,EMOLS-id_20558789,PC-id_45206912	373.449	CWFGSLTXHSDEDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096820
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(O)cc3)CCn12	MCULE-7805142596,PC-id_45200621,EMOLS-id_20531299	373.449	NBUYZMRFEQHCGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096821
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccccc1O)CC2	CoCoCo_1356725,CoCoCo_1356726,ZINC22_12281016	373.449	CWFGSLTXHSDEDZ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096822
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccccc1O)CC2	CoCoCo_1356727,CoCoCo_1356728,ZINC22_12281015	373.449	CWFGSLTXHSDEDZ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096823
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(O)cc1)CC2	ZINC22_12130734,CoCoCo_1316371,CoCoCo_1316372	373.449	NBUYZMRFEQHCGE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096824
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(O)cc1)CC2	ZINC22_12130738,CoCoCo_1316369,CoCoCo_1316370	373.449	NBUYZMRFEQHCGE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096825
COCCn1nc2c(c1C(=O)N1CCCc3n[nH]cc3C1)C[C@H](C)O[C@@H]2C	PC-id_146093757,EMOLS-id_324012863,MCULE-2439862120,ZINC22_1875315805	373.449	ILGUUVVNDNGGHZ-QWHCGFSZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-096826
COCCn1nc2n(c1=O)CCC(CC2)CC(=O)N(Cc1cccnc1)C	EMOLS-id_207877373	373.449	KPDQSQJWJXKZGX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096827
COCCn1nc(C(=O)N2CCCc3n[nH]cc3C2)c2c1[C@H](C)O[C@H](C)C2	EMOLS-id_324037720,MCULE-7165588214,ZINC22_1857532919,PC-id_146101375	373.449	QGHODJCDWFZTTO-OLZOCXBDSA-N	00000000100010000101000000010010000000000000000000000000	31-01-096828
COCCOc1ccccc1NC(=O)NCCc1nnc2n1CCCCC2	PC-id_86841741	373.449	RDDGVERTFLSIND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096829
COCC(=O)NCCC1CN(Cc2cccnc2OC)Cc2ccnn2C1	EMOLS-id_50375221	373.449	CXCJRJMWMVHZPR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096830
COCC(=O)NCC[C@H]1CN(Cc2cccnc2OC)Cc2ccnn2C1	ZINC22_247820607	373.449	CXCJRJMWMVHZPR-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096831
COCC(=O)NCC[C@@H]1CN(Cc2cccnc2OC)Cc2ccnn2C1	ZINC22_247820609	373.449	CXCJRJMWMVHZPR-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-096832
n12CCN(CCc1nnc2CNC(=O)c1ccc(COC)o1)CC(=CC)C	PC-id_74777399,MCULE-5875814289	373.449	JPCJXTSTIHINKW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-096833
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c1(C(O)c2ccccc2)cc2n(CCCN(Cc3[nH]c4c(cccc4)n3)C2)n1	EMOLS-id_50539347,MCULE-8796795870,PC-id_90651018	373.451	PKQFLVTVIPSIGA-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-096846
n12CCN(CCc1nnc2Cc1cccnc1)C(=O)C1CCc2ccccc12	MCULE-6455104459,EMOLS-id_82700837,PC-id_118761865	373.451	NZRBCZGRJMTPFM-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-096847
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c12CN(CCCn1nc(CN(C)Cc1noc(C)n1)c2)C(=O)N1CCCC1	MCULE-5044770220,PC-id_56906643,ZINC22_72459057,EMOLS-id_43149608	373.453	NUQZYKBHPJHDQM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-096857
c12CN(CCCn1nc(CNC(=O)CCc1cnn(C)c1)c2)C(=O)N(C)C	PC-id_70720769,EMOLS-id_44429077,ZINC22_82097696,MCULE-8384206746	373.453	CFCCGEFRCGZTIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096858
c12CN(CCCn1nc(CNC(=O)C(CC)n1cccn1)c2)C(=O)N(C)C	PC-id_70740486,EMOLS-id_44436069,MCULE-8729861392	373.453	LLUXYHSWPJRXSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096859
c12CN(CCCn1nc(CNC(=O)CC(C)n1ccnc1)c2)C(=O)N(C)C	MCULE-8889608555,PC-id_70758041,EMOLS-id_44442201	373.453	MIZIQRBQPJFMHB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096860
c12CN(CCCn1nc(CNC(=O)CCCn1ccnc1)c2)C(=O)N(C)C	PC-id_70711658,MCULE-6711543555,EMOLS-id_44425935,ZINC22_82091826	373.453	ZYJQTOLGZMABIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096861
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Cc1c(c(=O)[nH]c(n1)C)CC(=O)NC(c1nnc2n1CCNCC2)C(C)C	PC-id_136015725	373.453	DSOZECOOPLNNCJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096864
Cc1c(c(=O)[nH]c(n1)C)CC(=O)N[C@@H](c1nnc2n1CCNCC2)C(C)C	PC-id_136821231	373.453	DSOZECOOPLNNCJ-MRXNPFEDSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096865
Cc1c(c(=O)[nH]c(n1)C)CC(=O)N[C@H](c1nnc2n1CCNCC2)C(C)C	PC-id_136821232	373.453	DSOZECOOPLNNCJ-INIZCTEOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-096866
Cc1cnn([C@H](C)C(=O)NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)c1	PC-id_96571044,ZINC22_82083389	373.453	FGCJUXRKFQMGRK-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096867
Cc1cnn([C@@H](C)C(=O)NCc2cc3n(n2)CCCN(C(=O)N(C)C)C3)c1	ZINC22_82083384,PC-id_96571043	373.453	FGCJUXRKFQMGRK-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096868
Cc1noc(n1)C1CCN(CC1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_97980257	373.453	ZJFZSTOZKJVSQY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-096869
CCCc1[nH]ncc1C(=O)NCc1nn2c(c1)CN(CCC2)C(=O)N(C)C	PC-id_102602744	373.453	USWOILHWYFBTRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096870
CC[C@@H](C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2)n1cccn1	PC-id_96575767,ZINC22_82109542	373.453	LLUXYHSWPJRXSG-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096871
CC[C@H](C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2)n1cccn1	PC-id_96575768,ZINC22_82109543	373.453	LLUXYHSWPJRXSG-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096872
CC(C(=O)NCc1cc2CN(CCCn2n1)C(=O)N(C)C)n1cc(C)cn1	PC-id_70704719,MCULE-2644533138,EMOLS-id_44423431	373.453	FGCJUXRKFQMGRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096873
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c1(NC(=O)c2ccccc2OC)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_1754884,ZINC22_2738794,MCULE-8608331939,ChEMBL-DNDi_CHEMBL5692255,CK1544009,PC-id_2163800,EMOLS-id_2368257,TIMTEC160268	373.466	FYLDWDGBBNKPHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096898
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c1(NC(=O)c2ccccc2OC)sc2c(CCCCCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL5692659,PC-id_2862443,MCULE-5056330699,EMOLS-id_1133413,SPECS-id_AK-968/37171055,CoCoCo_682937,ZINC22_4646562,TIMTEC142447	373.466	FEOVYCMXQXHOKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096900
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCCCCC2)c1C(=O)OC	PC-id_1022838,SPECS-id_AK-968/37171141,EMOLS-id_1094626,TIMTEC110003,ZINC22_688861,MCULE-1188311304,CoCoCo_5816269	373.466	CUKILTXPVBQCAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096901
c1(NC(=O)c2cccc(OC)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2943854062,EMOLS-id_5398560,PC-id_5079932,ZINC22_4134787,CoCoCo_5015578	373.466	CRQFEXPMKWWDKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096902
c1(NC(=O)c2cccc(OC)c2)sc2c(CCCCCC2)c1C(=O)OC	SPECS-id_AK-968/11986059,MCULE-5241678595,ZINC22_2081567,EMOLS-id_2095487,PC-id_1740885,CoCoCo_683502,TIMTEC269264	373.466	KPXMCHFNZJGQSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096903
c1(NC(=O)Cc2ccc(cc2)OCC)sc2c(CCCCC2)c1C(=O)O	MCULE-9291111629,EMOLS-id_179129648,PC-id_28860418	373.466	DKFHNLMGROZRQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096904
c1(NC(=O)Cc2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)OC	TOSLab_8549,PC-id_2717528,MCULE-9972478743,ZINC22_3766193,EMOLS-id_5389342	373.466	KHEQVKDGYAHNML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096905
c1(NC(=O)Cc2ccccc2OC)sc2c(CCCCC2)c1C(=O)OC	ZINC22_3766194,EMOLS-id_8334182,PC-id_2717529,MCULE-4744923350,TOSLab_8550	373.466	SPKMXISTEWMUDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096906
c1(NC(=O)CCCOc2ccccc2)sc2c(CCCCC2)c1C(=O)O	EMOLS-id_179129663,MCULE-5513150624,PC-id_28860430	373.466	VXYPRIIZDRUFQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096907
c1(NC(=O)COc2ccc(cc2)CC)sc2c(CCCCC2)c1C(=O)O	PC-id_28860477,MCULE-7798942845,EMOLS-id_179129714	373.466	QRQHERVPPMZZDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096908
c1(NC(=O)COc2ccccc2C)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_5824759,TIMTEC278730,EMOLS-id_5125260,ZINC22_672113,MCULE-3620943112,PC-id_1011471,SPECS-id_AK-968/14004611	373.466	LALXGLGYXBSQTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096909
c1(NC(=O)COc2ccccc2)sc2c(CCCCCC2)c1C(=O)OC	CoCoCo_685044,PC-id_2163369,EMOLS-id_2096873,MCULE-4959671584,ZINC22_2736685,TIMTEC304496	373.466	MDNWYVJMEMPBDS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096910
c1(NC(=O)COc2cccc(C)c2C)sc2c(CCCCC2)c1C(=O)O	EMOLS-id_179129705,PC-id_28860469,MCULE-1302346845	373.466	KKLHPEYEXXWPEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096911
c1(NC(=O)COc2cc(C)ccc2C)sc2c(CCCCC2)c1C(=O)O	EMOLS-id_179129708,MCULE-1037090923,PC-id_28860472	373.466	UXJRLJDBXDJLBH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096912
c1(NC(=O)COc2c(C)cccc2C)sc2c(CCCCC2)c1C(=O)O	PC-id_28860464,MCULE-3575367179,EMOLS-id_179129699	373.466	LRBAREZDUMITEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096913
c1(NC(=O)COc2cccc(CC)c2)sc2c(CCCCC2)c1C(=O)O	MCULE-1334002348,PC-id_28860479,EMOLS-id_179129717	373.466	LVRPJSCEAMTYEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096914
CCOc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2	CoCoCo_2861422,PC-id_2389498,EMOLS-id_3025015,ZINC22_3273471,MCULE-1426835777	373.466	MIMLSUZBNGDJLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096915
CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c1C	MCULE-4231171730,PC-id_4857382,ZINC22_5361775,CoCoCo_2861303,EMOLS-id_43703895	373.466	PGEVTOYYBLZPFF-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-096916
COc1ccccc1CNC(=O)COC(=O)c1cc2c(s1)CCCCC2	MCULE-2622892866,CoCoCo_2861418,EMOLS-id_3470641,ZINC22_3548655,PC-id_2665515	373.466	IEBGWHCMKKABPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096917
COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCCCC2	CoCoCo_2861366,PC-id_7352020,ZINC22_4767876	373.466	PMFIPVCJOJVODX-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096918
COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCCC2	PC-id_7352019,CoCoCo_2861365,ZINC22_4767873	373.466	PMFIPVCJOJVODX-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096919
COc1cccc(c1)NC(=O)C(OC(=O)c1cc2c(s1)CCCCC2)C	MCULE-1222605916,PC-id_42899185,EMOLS-id_43703947	373.466	BYOFEKOKAKKOBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096920
COc1ccccc1NC(=O)C(OC(=O)c1cc2c(s1)CCCCC2)C	MCULE-7641685496,PC-id_16509429,EMOLS-id_43703939	373.466	PMFIPVCJOJVODX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096921
COc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCCCC3)c1	CoCoCo_2861387,ZINC22_5362062,PC-id_7649974	373.466	BYOFEKOKAKKOBI-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096922
COc1cccc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCCCC3)c1	ZINC22_5362056,PC-id_7649971,CoCoCo_2861388	373.466	BYOFEKOKAKKOBI-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096923
COC(=O)c1ccc(cc1OC)C(=O)N1CCCCc2c1sc(c2C)C	SCHEMBL7019835,PC-id_18378587	373.466	DWKUJPGOOABDCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096924
OC(=O)COc1ccc(cc1)CN(C(=O)c1cc2c(s1)CCCCC2)C	MCULE-8102069420,PC-id_120392210,EMOLS-id_57445065	373.466	RIVAVOMNEIEIOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096925
s1c2CCCCCc2cc1C(=O)NCc1cc(c(OC)cc1)C(=O)OC	PC-id_18267758	373.466	ZUWOZQNJXKIMLJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096926
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(ccc1OC)C	PC-id_7650026	373.466	XLPBHRFAIJWZLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096927
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1ccc(OC)cc1)C	PC-id_78644130	373.466	KUDDKEMWCWDHIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096928
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(OCC)cc1	PC-id_7352137	373.466	SCJRPTLABHAAQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096929
s1c2CCCCCc2cc1C(=O)OCC(=O)NCc1ccc(OC)cc1	PC-id_2670635	373.466	UTTRQBOJKDDOJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096930
s1c2CCCCCc2cc1C(=O)OCC(=O)NCc1cc(OC)ccc1	PC-id_7649861	373.466	SJLZHOULRWICQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096931
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(OC)cc1)C	PC-id_8254672	373.466	KUDDKEMWCWDHIZ-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096933
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(OC)cc1)C	PC-id_8254675	373.466	KUDDKEMWCWDHIZ-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096934
s1c2c(CCCCC2)c(c1NC(=O)c1cc(ccc1)COC)C(=O)OC	PC-id_55697920	373.466	XLIXXZHXLZIIKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096935
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OCC)cc1)C(=O)OC	PC-id_5061662	373.466	XSODBABOMIQGNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096936
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1oc(cc1)C)C(=O)OCC	PC-id_5056225	373.466	WRBPXNUSEJVLQN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-096937
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1oc(cc1)C)C(=O)OCC	PC-id_6259580	373.466	WRBPXNUSEJVLQN-VAWYXSNFSA-N	00000000101000000100000000000010000000000000000000000000	31-01-096938
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1occc1)C(=O)OCCC	PC-id_3257255	373.466	IKJPAXUSQXDLCX-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-096939
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1occc1)C(=O)OC(C)C	PC-id_4104177	373.466	YELRMETZHFTMGZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-096940
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1occc1)C(=O)OCCC	PC-id_5774639	373.466	IKJPAXUSQXDLCX-ZHACJKMWSA-N	00000000101000000100000000000010000000000000000000000000	31-01-096941
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1occc1)C(=O)OC(C)C	PC-id_6010885	373.466	YELRMETZHFTMGZ-ZHACJKMWSA-N	00000000101000000100000000000010000000000000000000000000	31-01-096942
s1c2c(CCCCC2)c(c1NC(=O)CCOc1ccccc1)C(=O)OC	PC-id_4568030	373.466	IWDYHGGFBSDRKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096943
s1c2c(CCCCC2)c(c1NC(=O)COc1ccccc1)C(=O)OCC	PC-id_4116626	373.466	VVPTZYOJUBEGTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096944
s1c2c(CCCCC2)c(c1NC(=O)COCc1ccccc1)C(=O)OC	PC-id_55762862	373.466	OBQMRCHSWJFROM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096945
s1c2CCCCCCc2cc1C(=O)OCc1cc(OCC(=O)N)ccc1	PC-id_56177629	373.466	FHVYPYRGXQNUHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096946
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1c(OC)cccc1	PC-id_7618674	373.466	SJSAPDMKUAMRQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096947
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1oc(cc1)C)C(=O)OC	PC-id_4083411	373.466	AWBPFRYPYCHTQN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-096948
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1oc(cc1)C)C(=O)OC	PC-id_6378918	373.466	AWBPFRYPYCHTQN-VAWYXSNFSA-N	00000000101000000100000000000010000000000000000000000000	31-01-096949
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1occc1)C(=O)OCC	PC-id_3676259	373.466	GYPAERKOVOCVCK-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-096950
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1occc1)C(=O)OCC	PC-id_5892466	373.466	GYPAERKOVOCVCK-VAWYXSNFSA-N	00000000101000000100000000000010000000000000000000000000	31-01-096951
s1c2CCCCCc2cc1C(=O)Oc1ccc(c2ccc(cc2)C#N)cc1	PC-id_7956981	373.467	IGTSHIBGLBFFLU-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-096952
c12CN(CCC)CCCn1nc(CNC(=O)NCCc1ccccc1F)c2	EMOLS-id_44443391,PC-id_70761649,MCULE-9704552590,ZINC22_82134384	373.468	DVQSVRCAGVAXCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096953
c12CN(CCCn1nc(CNC(=O)NCc1ccccc1F)c2)CC(C)C	ZINC22_82116263,EMOLS-id_44437843,PC-id_70745431,MCULE-7765561094	373.468	ZXJADSZBVORGRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096954
c12CN(CCCn1nc(CNC(=O)NCc1cccc(F)c1)c2)CC(C)C	PC-id_70747285,MCULE-4043599618,ZINC22_82120248,EMOLS-id_44438481	373.468	BGOWDTBYFYHKDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096955
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(c(F)c1C)C	MCULE-3853882674,EMOLS-id_44443633,ZINC22_82134688,PC-id_70762309	373.468	PMWHULHVEFXELB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096956
c1(NC(=S)NC(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C#N	CoCoCo_70935,MCULE-9058376427,EMOLS-id_1220744,TIMTEC551515,PC-id_1102063,ZINC22_827138	373.468	XMZDKJMODUEWCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-096957
CCC(C)CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1	PC-id_45209245,EMOLS-id_20568873,MCULE-7956432867	373.468	ABLGZZWRNWBPKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096958
CCC(C)CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1	PC-id_45169069,MCULE-9511031038,ChEMBL-DNDi_CHEMBL10848009,EMOLS-id_20394112	373.468	AGTMKWUVEUFDIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096959
CC(C)(CNC(=O)NCCc1nnc2n1CCCCC2)c1ccccc1F	MCULE-4424502504,ZINC22_58227913,PC-id_51131153,EMOLS-id_32157741	373.468	KBJXOFSSNRJBDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096960
CC[C@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1	CoCoCo_1371395,CoCoCo_1371393,ZINC22_14988691	373.468	ABLGZZWRNWBPKW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096961
CC[C@@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1	CoCoCo_1371396,ZINC22_14988689,CoCoCo_1371394	373.468	ABLGZZWRNWBPKW-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096962
CC[C@@H](C)CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1	CoCoCo_1123969,ZINC22_11880863,CoCoCo_1123971	373.468	AGTMKWUVEUFDIT-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096963
CC[C@H](C)CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1	ZINC22_11880864,CoCoCo_1123970,CoCoCo_1123968	373.468	AGTMKWUVEUFDIT-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096964
CC(C)N(C)Cc1ncn2c1CN(C(=O)NCc1cccc(F)c1)CCC2	EMOLS-id_44370064,ZINC22_96259259,PC-id_97519343	373.468	LPYYTIJXYIPRMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096965
CCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1cccc(c1)F)C(C)C	CoCoCo_1454650,CoCoCo_1454651	373.468	OUHODRIMDSDQMS-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096966
CCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1cccc(c1)F)C(C)C	CoCoCo_1454652,CoCoCo_1454653	373.468	OUHODRIMDSDQMS-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-096967
CCn1c2c(CCCOCCCNC2=O)c(n1)CCCOS(=O)(=O)C	PC-id_135133976,SCHEMBL20280213	373.468	NPBCHEDRIZANND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-096968
Fc1cc(CN2CCn3c(nnc3CC2)C(NC(=O)CC)C(C)C)ccc1	PC-id_45222363	373.468	OUHODRIMDSDQMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096969
s1c2CCCCCc2nc1NC(=O)c1sc(nc1)c1c(F)cccc1	PC-id_56084953	373.468	ODEKHOCWVNKBSI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-096970
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Cc1cccc(c1)SC	MCULE-2902934419,PC-id_70781690,ZINC22_72479119,SCHEMBL16100618,EMOLS-id_43174779	373.469	KPAPGUNMTUXNTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096971
c1(c2CCCCCCc2sc1NC(=O)c1cc(on1)C)C(=O)NC1CC1	CoCoCo_1067624,EMOLS-id_13329798,ZINC22_13329455,MCULE-9030415839,PC-id_17172895,TIMTEC121751	373.469	DHKFRTAVBRVECR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-096972
c1(csc2CCCCc12)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	EMOLS-id_43174723,PC-id_56915190,ZINC22_72479096,MCULE-8176013930	373.469	QRCMGGPGZAOLLY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-096973
c1(NC(=O)c2c3CCCCCc3on2)sc2c(CCC(C)C2)c1C(=O)N	PC-id_16000876,MCULE-9418322869,EMOLS-id_15972088,TIMTEC560295	373.469	XWVBDHIMJAYJCD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-096974
c1(NC(=O)CCC(=O)Nc2ccc(cc2C)O)sc2c(CCCCC2)n1	EMOLS-id_334961996,MCULE-2363738219	373.469	FHTRJGSWJZZCLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096975
c1(NC(=O)CCC(=O)Nc2ccc(cc2)OC)sc2c(CCCCC2)n1	EMOLS-id_334968650,MCULE-2513085365	373.469	SNYBZWAQDMUFFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096976
c1(NC(=O)CCC(=O)Nc2ccc(cc2O)C)sc2c(CCCCC2)n1	EMOLS-id_335013949,MCULE-5534110491	373.469	QQQCCBVDKFIRRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096977
c1(NC(=O)CCC(=O)Nc2ccccc2OC)sc2c(CCCCC2)n1	MCULE-8866454684,EMOLS-id_334976577	373.469	ULBCLNUBALQWSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096978
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COCc1ccc(cc1)C(=O)N1CCc2nc(sc2CC1)C(=O)N(C)C	ZINC22_1565554584,EMOLS-id_313791795	373.469	CAOYLUHCGWPFCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096991
COC(=O)c1ccc(cc1)CCNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825063	373.469	CZZZMWKZGLGIQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-096992
COC(=O)c1c(NC(=O)C2CC2c2cnn(c2)C)sc2c1CCCCC2	MCULE-3958480791,EMOLS-id_37014041,PC-id_56800198	373.469	VLIMZEKFSHSPKX-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-096993
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COC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)sc2c1CCCCC2	PC-id_95265324,ZINC22_69164966	373.469	VLIMZEKFSHSPKX-UONOGXRCSA-N	00100000100000000101100000000010000000000000000000000000	31-01-096996
COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)sc2c1CCCCC2	ZINC22_69164968,PC-id_95265325	373.469	VLIMZEKFSHSPKX-ZIAGYGMSSA-N	00100000100000000101100000000010000000000000000000000000	31-01-096997
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s1c2c(CCCCC2)cc1C(=O)N1CCc2n(nc(c2C1)C(=O)O)CC	PC-id_56722206	373.469	AVFGCQLRYQHARK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-097006
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OC(C)C)nc1)C(=O)N	PC-id_55684395	373.469	QEWZRYYPYSGIFN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-097007
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s1c2CCCCCCc2nc1NC(=O)CNC(=O)COc1ccccc1	PC-id_56020821	373.469	QGNAJPXGMNDBCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097010
s1c2CCCCCCc2nc1NC(=O)CNC(=O)OCc1ccccc1	PC-id_56153363	373.469	QXHQDHCNCBLQLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097011
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c12CN(CCCn1nc(CNC(=O)c1cnc(C)s1)c2)C(=O)C1CCC1	EMOLS-id_43606463,PC-id_70788793,ZINC22_77566139,MCULE-3486778154	373.473	DWEMQCLVNOEVTB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-097013
c12CN(CCCn1nc(CNC(=O)c1scnc1C)c2)C(=O)C1CCC1	MCULE-5743332533,PC-id_70723171,ZINC22_82098286,EMOLS-id_44429947	373.473	URUKCPUZOSHSDE-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-097014
c12CN(CCCn1nc(CNC(=O)Nc1ccc(cc1)SC)c2)C(=O)C	ZINC22_82148515,MCULE-2563863930,PC-id_70776914,EMOLS-id_44448691	373.473	URGKCVCOYHMRLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097015
c1(cc2c(ccs2)[nH]1)C(=O)N1CCCn2c(cc(n2)C(O)CN(C)C)C1	MCULE-4045782067,EMOLS-id_55675649,PC-id_91785478	373.473	NUOBCZDSAMOZJV-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-097016
c1(sc2c(CCCCC2)n1)NC(=O)C1CCN(CC1)c1ccc(=O)[nH]n1	EMOLS-id_323420096,MCULE-9372079526	373.473	FMRWGRYRUZGFJU-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-097017
CC1CC(C1)C(=O)N1CC(Cn2ncnc2C1)C(=O)NCc1cccs1	EMOLS-id_313723863	373.473	UINXDEMUBQMIEL-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-097018
CC1CC(C(=O)N2Cc3ncnn3C[C@H](C(=O)NCc3cccs3)C2)C1	ZINC22_1565547612	373.473	UINXDEMUBQMIEL-JXQTWKCFSA-N	00001000100100000101000000000010000000000000000000000000	31-01-097019
CC1CC(C(=O)N2Cc3ncnn3C[C@@H](C(=O)NCc3cccs3)C2)C1	ZINC22_1614931151	373.473	UINXDEMUBQMIEL-RUXDESIVSA-N	00001000100100000101000000000010000000000000000000000000	31-01-097020
Cc1nc(C(=O)N2CCc3ncc(CNC(=O)CC4CC4)n3CC2)cs1	ZINC22_585110621,EMOLS-id_313781960	373.473	MIDFEQOAROGDRZ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-097021
Cc1nc(ncc1)SCC(=O)N1CCCn2c(cc(n2)C(C2CC2)O)C1	PC-id_91766548	373.473	RIXZOAURCYXRHP-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-097022
CCc1nc2n(n1)CCC[C@H]2NC(=O)CN1CCCc2sccc2C1=O	PC-id_96997201,ZINC22_83830579	373.473	APLGEUZEARQCEE-CYBMUJFWSA-N	00000000100010000101000000010010000000000000000000000000	31-01-097023
CCc1nc2n(n1)CCC[C@@H]2NC(=O)CN1CCCc2sccc2C1=O	ZINC22_83830578,PC-id_96997200	373.473	APLGEUZEARQCEE-ZDUSSCGKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-097024
CCc1nn2c(n1)C(CCC2)NC(=O)CN1CCCc2c(C1=O)ccs2	PC-id_71856592,MCULE-8732281298,EMOLS-id_44583050	373.473	APLGEUZEARQCEE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-097025
CCCN1CCCn2nc(CNS(=O)(=O)c3cccc(c3)C#N)cc2C1	EMOLS-id_44435289,PC-id_70738414,MCULE-4962398872,ZINC22_82109046	373.473	MPAFPDMSIJSZTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097026
CC(CNC(=O)c1nc2c(s1)CCN(CC2)C(=O)c1cnc(cn1)C)C	PC-id_97524699	373.473	IEEZUKYUIKJMTG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-097027
CC(CNC(=O)N1CCc2c(CC1)nc(s2)C(=O)Nc1cccnc1)C	PC-id_97410603	373.473	LEUVWTYUEWDJOX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-097028
CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)c1cnc(C)cn1)CC2	ZINC22_96147056,PC-id_97442580	373.473	VUHSDXCEQRKWPA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-097029
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CCNC(=O)N/C(=C(/c1ccccc1)Sc1nnc2n1CCCCC2)/O	CoCoCo_3082199,CoCoCo_3082198	373.473	NQFBMLZQLATIAB-FOCLMDBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097031
CCNC(=O)NC(=O)C(c1ccccc1)Sc1nnc2n1CCCCC2	EMOLS-id_3524177,MCULE-5255310614,PC-id_16258980	373.473	JDJKFQPZYFUVBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097032
CCNC(=O)NC(=O)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1	PC-id_7877557,CoCoCo_3082196,ZINC22_6098375	373.473	JDJKFQPZYFUVBQ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097033
CCNC(=O)NC(=O)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1	PC-id_7877559,CoCoCo_3082195,ZINC22_6098377	373.473	JDJKFQPZYFUVBQ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097034
CC(=O)Nc1ccc(cc1)NC(=O)C(Sc1nnc2n1CCCCC2)C	MCULE-2736950873,PC-id_42902467,EMOLS-id_27350347	373.473	MCIDFSCKSIYCQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097035
CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc3n2CCCCC3)cc1	PC-id_7876632,ZINC22_6097028,CoCoCo_3081378	373.473	MCIDFSCKSIYCQV-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097036
CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc3n2CCCCC3)cc1	PC-id_7876634,CoCoCo_3081377,ZINC22_6097030	373.473	MCIDFSCKSIYCQV-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097037
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CC(=O)N(c2nccs2)C1	ZINC22_1857698005	373.473	DDBYHRKPXCEFFG-GFCCVEGCSA-N	00000010100000000101100000000010000000000000000000000000	31-01-097038
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CC(=O)N(c2nccs2)C1	ZINC22_1857698006	373.473	DDBYHRKPXCEFFG-LBPRGKRZSA-N	00000010100000000101100000000010000000000000000000000000	31-01-097039
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc3sccc3[nH]1)C2	PC-id_100123886,ZINC22_222655196	373.473	NUOBCZDSAMOZJV-MRXNPFEDSA-N	00000000100000000101000100000010000000000000000000000000	31-01-097040
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc3sccc3[nH]1)C2	ZINC22_222655289,PC-id_100123900	373.473	NUOBCZDSAMOZJV-INIZCTEOSA-N	00000000100000000101000100000010000000000000000000000000	31-01-097041
CN(C)C(=O)c1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1	PC-id_7877542,ZINC22_6098359,EMOLS-id_23530346,CoCoCo_3082192,MCULE-3981607392	373.473	ITPGQWCFQDSQHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097042
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c12CN(CCCn1nc(CN(C)Cc1ccno1)c2)Cc1snnc1C	ZINC22_72133799,EMOLS-id_43079945,PC-id_56887658,MCULE-7299793869	373.476	IMAGHUHDAUTJDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097057
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Cc1ccc2nc(NC(=O)CSc3nnc4n3CCCCC4)sc2c1	MCULE-6129728353,ZINC22_9512759,PC-id_16382273,CoCoCo_4311441,EMOLS-id_13423215	373.496	KBXKTHSZCPQIRE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097144
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CC(C)(C)c1nc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)no1	CoCoCo_4896619,ZINC22_40105778,EMOLS-id_30045194,PC-id_45891601,CoCoCo_4896618,MCULE-3105095495	373.496	YRKWCDJHARGKFC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097148
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CCNC(=NCc1c(CC)onc1CC)NCc1nnc2n1CCCCC2	PC-id_109589297	373.496	BBGMOSOBKXYHFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097151
CCNC(=NCc1nnc2n1CCCCC2)NCc1ncc(o1)C(C)(C)C	PC-id_111595174	373.496	OPORWTJJSKTJLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097152
CCNC(=NCc1oc(c(n1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_109429221	373.496	FVXSRSQICGKJDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097153
CCNC(=NCc1onc(c1)C(C)C)NCCc1nnc2n1CCCCC2	PC-id_111585273	373.496	HNVQTHNUDLFUNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097154
CN=C(NCc1c(CC)onc1CC)NCCc1nnc2n1CCCCC2	PC-id_109588331	373.496	OJSCKWAGTKBPIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097155
CN=C(NCc1ncc(o1)C(C)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111594484	373.496	RPUPZIHKQBMBIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097156
CN=C(NCc1nnc2n1CCCCC2)NCc1onc(c1)C(CC)CC	PC-id_111674620	373.496	GOWXWRHXFXDKRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097157
CN=C(NCc1onc(c1)C(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111586857	373.496	FJYFYVSOYREGGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097158
N#Cc1c(NC(=O)CSc2nc(C3CC3)n[nH]2)sc2c1CCCCC2	CoCoCo_4479797,EMOLS-id_13510796,ZINC22_11471166,CoCoCo_4479795,CoCoCo_4479796,CoCoCo_4479798,PC-id_17566925,MCULE-9986776054	373.496	ZYZXSDOZUYVMDM-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-097159
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O=C(c1nnn(c1)Cc1cccs1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99759692	373.496	WONNKVMNLFFAAB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-097164
O=C(Nc1sc2c(n1)CCCCCC2)CSc1nnc2n1cccc2	EMOLS-id_99272335	373.496	JHRZQOIMFAWBOO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097165
O=C(NCc1nn2CCCN(Cc2c1)Cc1[nH]c(nc1)CCCC)N(C)C	PC-id_70768813	373.496	LUAZHYGOZKMCJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097166
s1cc(nc1c1ccsc1)CC(=O)NCc1n2CCCCCc2nn1	PC-id_51266372	373.496	DRVOTNIRNGKHAG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-097167
S(c1n2CCCCCc2nn1)CC(=O)N1CCN(CC1)c1[nH+]cccc1	PC-id_8379340	373.496	VYEFFEZXYYRVHY-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-097168
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(cc(SC#N)cc1)C	PC-id_7877287	373.496	BCQXLGXIDVKJTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097169
CCNC(=NCCc1nnc2n1CCCCC2)NCCn1cnnc1CC	PC-id_111698551	373.499	CKMVUKYSUIUQRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097170
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ncnn1C)C	PC-id_112086581	373.499	XBZCATTXPQXRJW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097171
CN=C(NCCn1cnnc1CC)NCCCc1nnc2n1CCCCC2	PC-id_111700577	373.499	YJJCNPFSJZEGLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097172
c1(cc2c(CCCCCC2)s1)C(=O)NC(C)c1ccc(c(OC)c1)OC	PC-id_17329679,EMOLS-id_4051164,MCULE-6544174146,TIMTEC512957	373.509	VVXSAZUMAXINGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097173
CCCCCc1c(NC(=O)C)c(c2-c1ccc(cc2)CS)C(=O)OCC	PC-id_141580601	373.509	YOWHXPFKQOSJSO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-097174
CCOC(=O)c1c(NC(=O)C)c(c2-c1ccc(cc2)CS)CCC(C)C	PC-id_141580568	373.509	BYDCTOOZYBNGQB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-097175
COc1ccc(CCN(C)C(=O)c2cc3c(s2)CCCCC3)cc1OC	ZINC22_8144279,CoCoCo_3912890,PC-id_9277380,MCULE-4507035588,EMOLS-id_43920119	373.509	LJOWHEYXUZCDKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097176
COc1ccc([C@H](C)NC(=O)c2cc3c(s2)CCCCCC3)cc1OC	CoCoCo_6836252,ZINC22_17076513,PC-id_27520359	373.509	VVXSAZUMAXINGF-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097177
COc1ccc([C@@H](C)NC(=O)c2cc3c(s2)CCCCCC3)cc1OC	PC-id_27520358,ZINC22_17076512,CoCoCo_6836253	373.509	VVXSAZUMAXINGF-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097178
s1c2CCCCCc2cc1C(=O)N(Cc1c(cc(OC)c(OC)c1)C)C	PC-id_9277222	373.509	LKNJKXCDCDJQTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097179
s1c2CCCCCCc2cc1C(=O)Nc1c(OCCOC)cc(cc1)C	PC-id_52700761	373.509	WQYIMHJHKYCYKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097180
s1c2CCCCCCc2cc1C(=O)N(Cc1cc(OC)c(OC)cc1)C	PC-id_45728327	373.509	WHRKYHFPNIPRKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097181
s1c2CCCCCCc2cc1C(=O)N(Cc1c(OC)c(OC)ccc1)C	PC-id_45730288	373.509	PIKYAZWOOIORFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097182
O1/C(=C/c2ccc3-c(c([n+](c3C)CCCC)C)cc2)/N(c2c1cccc2)CC	PC-id_44189926	373.511	XPRPRGTVODXYJN-UHFFFAOYSA-N	00000010100000100111000001000010000000000000000000000000	31-01-097183
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(C2CCCC2)s1	MCULE-1755151471,PC-id_56886613,EMOLS-id_43075653,ZINC22_72436091	373.512	AOFVPJYKQSNOBD-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-097184
c1(cc2c(CCCCC2)s1)C(=O)N1CCCC(C1)c1ccn(CCO)n1	EMOLS-id_82739893,PC-id_119073507,MCULE-4710726362	373.512	UUYZOBVEXBIOJK-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097185
c1(cc2c(CCCCC2)s1)C(=O)N1CCC(CC1)(O)Cn1ccnc1C	PC-id_92565763,MCULE-5054079097,EMOLS-id_421696,AEM-17467445,ZINC22_19287894	373.512	RRECFFZRTPKRRH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097186
CC1(Cc2c(C(=O)NC1)sc(n2)NC(=O)C12CCC(C1)C(C2=C)(C)C)C	PC-id_89336829,SCHEMBL14433818	373.512	YPZFSBRFDKNXMU-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-097187
Cc1c(NC(=O)c2cc3c(s2)CCCCCC3)cnn1C1CCOCC1	MCULE-4944879740,EMOLS-id_101300832,ZINC22_333049710	373.512	GJPAAOSICWZQMV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097188
CCc1c(CC)n[nH]c(=O)c1CNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_100180136	373.512	MRDZVGHKLBHIFH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-097189
CCC(=O)N1CCCC(C1)C(=O)Nc1sc2c(c1C#N)CCCCCC2	EMOLS-id_110431663	373.512	QJSCULNGIQHPAP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-097190
C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCCc2occc2C1	ZINC22_585083921	373.512	FNPSODRHCOGLRW-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097191
C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCCc2occc2C1	ZINC22_585083922	373.512	FNPSODRHCOGLRW-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097192
CCN(CC)C(=O)c1nc2CCN(Cc3cccc(OC)c3)CCc2s1	ZINC22_96147054,PC-id_97442578,EMOLS-id_44304078,CHEMBL3553227	373.512	ICNBNGROJWXIDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097193
COc1cccc(CN2CCc3nc(C(=O)NCC(C)C)sc3CC2)c1	EMOLS-id_44303934,CHEMBL3554932,ZINC22_96146983,PC-id_97442507	373.512	YDTXNPXKCIJELS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097194
COCC1=CCN(CC1)C(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	EMOLS-id_100377441	373.512	LNXLUCJHFGEHIP-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-097195
CS(=O)N(C1=CCC=c2c(=C1)cc([nH]2)C(=O)NC1CC1)C1CCCCC1	PC-id_143170932	373.512	YRZUDTFKQIODBC-UHFFFAOYSA-N	00100000100010000110000000000010000000000000000000000000	31-01-097196
N#Cc1c(NC(=O)CCN2CCOCC2C2CC2)sc2c1CCCCC2	EMOLS-id_98198863	373.512	HDLCTTWCLRXRBG-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-097197
N#Cc1c(NC(=O)CN2CCCC2C2CCCO2)sc2c1CCCCC2	EMOLS-id_98240323	373.512	RYVDTJXJPRAGIO-UHFFFAOYSA-N	00000010100000000100100000000010000000000000000000000000	31-01-097198
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[S+]1=CC(=C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)C=C1	PC-id_10720799	377.521	QVMRDUAXXDJDGJ-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-100078
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c12CN(CCCn1nc(CNC(=O)CSc1ccccn1)c2)CC(C)C	EMOLS-id_68932568,MCULE-4256745789,ZINC22_299799554,PC-id_118791245	373.516	HDPLRBNRZYUZHK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-097222
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c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cccc(c1)SC	PC-id_70774205,ZINC22_82146626,EMOLS-id_44447689,MCULE-5296669880	373.516	NGZUYGCUCOSFJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097224
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccccc1SC	ZINC22_82092424,EMOLS-id_44426391,MCULE-8696895628,PC-id_70712994	373.516	LIWISPDMISEPBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097225
c1(CN(C)C(=O)NCCc2sc3c(CCC3)n2)c2CCCCCc2[nH]n1	ZINC22_584899610,MCULE-9656449954,EMOLS-id_177476774	373.516	QBOCAXITEVNZOG-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-097226
S(c1n2CCCCCc2nn1)CC(=O)NC[C@H](N(C)C)c1ccccc1	PC-id_7877321	373.516	LBMUMBDXXDPOKU-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097247
c1(C(=O)NCc2c(C)nc(C)s2)cn2c(CCN(C/C=C(C)/C)CC2)n1	ZINC22_1940194714,MCULE-8114718097,EMOLS-id_336476346	373.516	IPGUFMXALRQKQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097227
Cc1ccc(s1)C(=O)NC1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_100888926	373.516	NNKJFYSRQOYBLV-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-097228
Cc1ncsc1CN(C(=O)c1cnc2n1CCCCC2)CC1CCNC1	EMOLS-id_318340207	373.516	XECSSJBQTXCDFO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-097229
Cc1[nH]nc(n1)CN1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_98808714	373.516	KQLNJRUTMFKWNZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097230
CC(C)n1cnc2=CC(NC(=NCCCO)N=c12)SCC1CC=CC=C1	PC-id_137191207,SCHEMBL19112590	373.516	LYWDCRROUVVSQF-UHFFFAOYSA-N	00000000100011000111000000000010000000000000000000000000	31-01-097231
CCn1ccnc1C1CCCCN1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_100745136	373.516	CSMFCFBJWSADKG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097232
CCN(c1ccc(cn1)CNC(=O)Nc1nc2c(s1)CCCCC2)CC	MCULE-9710844680,PC-id_122159461,EMOLS-id_172172548	373.516	DLBDPYRANKQERO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-097233
COc1cccc(N2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)c1	MCULE-9091690936,ZINC22_27495264,CoCoCo_3448523,EMOLS-id_27356377,PC-id_34858357,CoCoCo_3448522	373.516	CTKQJIWWDOWLHH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-097234
CSc1nc(nc(c1C(=O)N1CCCc2c(C1)cnn2C)C)C(C)(C)C	EMOLS-id_101846356	373.516	OEAFVMGVABVCMU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-097235
CSC(C)(C)[C@H](N)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337823873,MCULE-1591754366,ZINC22_2356169562	373.516	UWWSUVOHHBSMHY-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097236
NCc1nnn(c1)C1CCCN(C1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_102118942	373.516	IYXXUPFHLWFOFZ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097237
O=C(c1sc2c(c1)CCCCCC2)Nc1nc(nn1C)C1CCNCC1	PC-id_120644738	373.516	AYHFMGCSAOSIJA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097238
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)c1csc(n1)N1CCCCC1	EMOLS-id_319196135	373.516	LBXOAPGESNMLFM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097239
O=C(N1CCCC1c1c(C)n[nH]c1C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101101010	373.516	BQKRBSLCQQZGON-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-097240
O=C(N1CCCc2c(C1)cnn2C)NCC(N1CCc2c(C1)ccs2)C	EMOLS-id_101722095	373.516	MMUWUXNILKFPJR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-097241
s1c2c([C@H](N(CC2)C(=O)NCCc2n3CCCCCc3nn2)CC)cc1	PC-id_52216006	373.516	ZUIKROFMRNYOCW-OAHLLOKOSA-N	00000000100010000101000000010010000000000000000000000000	31-01-097242
s1c2c([C@@H](N(CC2)C(=O)NCCc2n3CCCCCc3nn2)CC)cc1	PC-id_52216007	373.516	ZUIKROFMRNYOCW-HNNXBMFYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-097243
s1c2c(C(N(CC2)C(=O)NCCc2n3CCCCCc3nn2)CC)cc1	PC-id_75807287	373.516	ZUIKROFMRNYOCW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-097244
s1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1CC	PC-id_51317243	373.516	VTHJXXCZXPDQOR-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-097245
S(c1n2CCCCCc2nn1)CC(=O)NCCCN(c1ccccc1)C	PC-id_8332797	373.516	ODPVFLSLQPTCFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097246
S(c1n2CCCCCc2nn1)CC(=O)NC[C@@H](N(C)C)c1ccccc1	PC-id_7877323	373.516	LBMUMBDXXDPOKU-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097248
S(c1n2CCCCCc2nn1)CC(=O)NCC(N(C)C)c1ccccc1	PC-id_78559289	373.516	LBMUMBDXXDPOKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097249
S=c1n2CCCCCc2nn1CN1CCN(CC1)c1ccc(OC)cc1	PC-id_8205260	373.516	FZVMANGBKKFPQS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-097250
CN=C(N1CCN(CC1)c1cccs1)NCc1nnc2n1CCCCC2	PC-id_109719027	373.519	ZBSHIJDGSVBJML-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-097251
CC(c1ccc(c2-c(c1)c(C)cc2C(=NCCc1ccccn1)N(C)C)C)C	PC-id_139705184	373.534	LMBHMEMYCLZQJW-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-097252
CCCC1C=CC=c2c(=C1)ccn2Cc1ccc(cc1)C(=N)N1CCCCC1	PC-id_145324368	373.534	IXPHGQDKWJEJBI-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-097253
O=C(Nc1nc2c(s1)CCCCC2)NCC(CCS(=O)(=O)C)(C)C	PC-id_100907251	373.534	KXOZSNCYQXEFSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097254
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CC1(C)CCN(CC1)C	PC-id_70704946,ZINC22_82083538,MCULE-8050328644,EMOLS-id_44423521	373.535	VMZACUSVMOLLHD-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-097255
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)CC=C(C)CC/C=C(/C)C	MCULE-3213984089,PC-id_77899436	373.535	KMVZLEQTMMQEQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097256
c1(cc2c(CCCCC2)s1)C(=O)NNC(=S)NC(C)c1ccccc1	MCULE-8795725383,PC-id_17373628,EMOLS-id_4051194,TIMTEC147333	373.535	FKAOYISZFYQXNA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097257
c1(cc2c(CCCCC2)s1)C(=O)NNC(=S)NCCc1ccccc1	TIMTEC466413,MCULE-4949179973,CoCoCo_995654,EMOLS-id_2027389,PC-id_2208315	373.535	TVXABWAEMZXYSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097258
Cc1ccsc1CN(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-2614725901,EMOLS-id_3661293,CoCoCo_3848678,CoCoCo_3848679,PC-id_9203730,ZINC22_8071233	373.535	FSRZFSSMPNRXPA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-097259
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1cccs1	CoCoCo_4227630,CoCoCo_4227631,PC-id_9292367,ZINC22_8156968	373.535	MSXHFCIONCDWKR-ZDUSSCGKSA-N	00000000100100000100000000000010000000000000000000000000	31-01-097260
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1cccs1	CoCoCo_4227632,CoCoCo_4227633,ZINC22_8156969,PC-id_9292369	373.535	MSXHFCIONCDWKR-CYBMUJFWSA-N	00000000100100000100000000000010000000000000000000000000	31-01-097261
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccsc1	ZINC22_8324490,PC-id_9450178,CoCoCo_4231166,CoCoCo_4231165	373.535	QKSVEOMAQVIEDZ-ZDUSSCGKSA-N	00000000100100000100000000000010000000000000000000000000	31-01-097262
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccsc1	ZINC22_8324492,CoCoCo_4231168,CoCoCo_4231167,PC-id_9450180	373.535	QKSVEOMAQVIEDZ-CYBMUJFWSA-N	00000000100100000100000000000010000000000000000000000000	31-01-097263
CCN(CC1CC1)CCC1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	MCULE-1590672940,EMOLS-id_319999445	373.535	JRGYZQUHYGBAKP-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-097264
CN1CCC(CC1)N1CCCC(C1)C(=O)NCc1n[nH]c2CCCCCc12	PC-id_45193721,MCULE-5433192796,EMOLS-id_20500823	373.535	YDLWPVCADBCFSM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097265
CN1CCC(N2CCC[C@@H](C(=O)NCc3n[nH]c4c3CCCCC4)C2)CC1	CoCoCo_1272551,CoCoCo_1272546,CoCoCo_1272547,ZINC22_12433338,CoCoCo_1272558,CoCoCo_1272554,CoCoCo_1272550,CoCoCo_1272559,CoCoCo_1272555	373.535	YDLWPVCADBCFSM-MRXNPFEDSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097266
CN1CCC(N2CCC[C@H](C(=O)NCc3n[nH]c4c3CCCCC4)C2)CC1	CoCoCo_1272553,CoCoCo_1272545,CoCoCo_1272548,CoCoCo_1272556,CoCoCo_1272549,ZINC22_12433339,CoCoCo_1272557,CoCoCo_1272544,CoCoCo_1272552	373.535	YDLWPVCADBCFSM-INIZCTEOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097267
N#Cc1c(NC(=O)C(N(Cc2cccs2)C)C)sc2c1CCCCC2	EMOLS-id_3625431,PC-id_16333115,MCULE-4990690960	373.535	MSXHFCIONCDWKR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-097268
N#Cc1c(NC(=O)C(N(Cc2cscc2)C)C)sc2c1CCCCC2	EMOLS-id_3687410,PC-id_16336052,MCULE-1534454724	373.535	QKSVEOMAQVIEDZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-097269
O=C(N1CCCC1CCC1CCCCC1)NCc1nnc2n1CCCCC2	EMOLS-id_100518185	373.535	PNUAQSUZFFCBOM-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-097270
O=C(N1CCCc2c(C1)cnn2C)NCC1(CCCCC1)N1CCCCC1	EMOLS-id_101716379	373.535	ZIMXWOLASUSGGA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097271
O=C(Nc1cccnc1N1CCSCC1)c1cc2c(s1)CCCCC2	ZINC22_58417109,PC-id_51129281,MCULE-5941119125,EMOLS-id_33365935	373.535	GCSUBZZBTCJJNH-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-097272
s1c2CCCCCc2cc1C(=O)NNC(=S)Nc1cc(cc(c1)C)C	PC-id_8001025	373.535	LKJIAYWUYXEFGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097273
s1c2CCCCCc2cc1C(=O)NNC(=S)Nc1c(ccc(c1)C)C	PC-id_8001071	373.535	KENOPCOYCZHEMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097274
s1c2CCCCCc2cc1C(=O)NNC(=S)Nc1ccc(CC)cc1	PC-id_7988147	373.535	RZXPXOHRDPCHRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097275
s1c2CCCCCc2cc1C(=O)NNC(=S)Nc1c(CC)cccc1	PC-id_8000940	373.535	CINRJAKNVWLUSW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097276
s1c2CCCCCc2cc1C(=O)NNC(=S)Nc1cc(CC)ccc1	PC-id_8468984	373.535	OCXASESNGFGIRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097277
s1c2CCCCCc2cc1C(=O)NNC(=S)N[C@@H](c1ccccc1)C	PC-id_27520360,CoCoCo_6821625	373.535	FKAOYISZFYQXNA-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097278
s1c2CCCCCc2cc1C(=O)NNC(=S)N[C@H](c1ccccc1)C	PC-id_27520361,CoCoCo_6821626	373.535	FKAOYISZFYQXNA-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097279
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1ccsc1)C)C#N	PC-id_24467155	373.535	ORJITMDFYQQTDV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-097280
S=c1n(nc2n1CCCCC2)C[NH+]1C(CCC1)c1ccc(OCC)cc1	PC-id_84981241	373.535	LQXUHQAULACDDO-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-097281
S=c1n(nc2n1CCCCC2)C[NH+]1[C@@H](CCC1)c1ccc(OCC)cc1	PC-id_9324559	373.535	LQXUHQAULACDDO-SFHVURJKSA-O	00000010100000110101100000000010000000000000000000000000	31-01-097282
S=c1n(nc2n1CCCCC2)C[NH+]1[C@H](CCC1)c1ccc(OCC)cc1	PC-id_9324563	373.535	LQXUHQAULACDDO-GOSISDBHSA-O	00000010100000110101100000000010000000000000000000000000	31-01-097283
c1(CN(C)C(=O)NCC2CCN(CC2)CC2CC2)c2CCCCCc2[nH]n1	MCULE-9642235614,EMOLS-id_177503728,ZINC22_584903100	373.536	JVCJUGWTQPVPBW-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-097284
CC1CCCCN1CCC1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	MCULE-5374215329,EMOLS-id_320010043	373.536	NYOBWFWYUFVLDM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097285
CC1CCN(CC1)C1CCC(CC1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101719392	373.536	VRBIPQLWNOIPCS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097286
CCC(c1nnc2n1CCCCC2)NC(=O)C1CCN(C1)C1CCCCC1	EMOLS-id_100518125	373.536	FXLWGMVKSLJIKI-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-097287
CC(=CCC/C(=C/CN1CCCn2nc(CNC(=O)N(C)C)cc2C1)/C)C	PC-id_70713521,EMOLS-id_44861172,ZINC22_82092635	373.536	KMVZLEQTMMQEQB-VCHYOVAHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097288
Cc1scc(n1)c1scc(c1)C(NCc1nnc2n1CCCCC2)C	EMOLS-id_98711328	373.539	YPLQZHKZHNJTRN-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-097289
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)C1CCCC1	PC-id_111919047	373.539	JJDKNIJQNDVGPK-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-097290
CN=C(N1CCC(C1)N1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_112079243	373.539	WCUMPSCSRHJHLM-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-097291
CN=C(N1CCC(C1)N1CCCCC1)NCCc1nnc2n1CCCCC2	PC-id_119143148	373.539	KQHICFQZFVCKRQ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-097292
CN=C(NC1CC(N(C1)C1CC1)C)NCCCc1nnc2n1CCCCC2	PC-id_112087111	373.539	GTYFEDSRGDUHSD-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-097293
CN=C(NC1CCN(C1)C1CCCC1)NCCc1nnc2n1CCCCC2	PC-id_111919111	373.539	KRZGGZSWNSUEMJ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-097294
CN=C(NC1CCN(CC1)C1CC1)NCCCc1nnc2n1CCCCC2	PC-id_112075898	373.539	XUKDXMTWQXDQGR-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-097295
S(c1n2CCCCCc2nn1)c1nc(nc2scc(CC(C)C)c12)C	PC-id_60502050	373.539	HVAQCCXSJCJPMN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097296
S=c1n2CCCCCc2nn1CN(C(c1sc2c(n1)cccc2)C)C	PC-id_84970408	373.539	XWSXQCTUCORUSE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097297
S=c1n2CCCCCc2nn1CN([C@H](c1sc2c(n1)cccc2)C)C	PC-id_9284582	373.539	XWSXQCTUCORUSE-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097298
S=c1n2CCCCCc2nn1CN([C@@H](c1sc2c(n1)cccc2)C)C	PC-id_9284584	373.539	XWSXQCTUCORUSE-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097299
C/C=CC
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C/C=CC
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CC(C)c1nnc2CCN(Cc3ccc(CN4CCCCC4)s3)CCn12	MCULE-1325937184,EMOLS-id_232718499,ZINC22_11784107,PC-id_42164226	373.559	OJNNWZIVYBCSEK-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-097302
c1(NC(=S)Nc2ccccc2)sc2c(CCCCCCCCCC2)n1	MCULE-2261098160,STOCK3S-81978,EMOLS-id_4534050,ZINC22_2251009,PC-id_1879278	373.578	HMTKXRHSOXTAGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097303
CCCCCN(C1=CCC=c2c(=N1)n(CCCN(C)C)c(n2)C)CCCC	PC-id_142949843	373.579	ZXDYWMBMTHPCTG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-097304
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C1C(Cn2c(cc(n2)C(=O)NCc2cc3c([nH]2)ccc(c3)Cl)C(=O)N1)O	PC-id_135097167	373.794	OIVWPZHJIVOMHO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-097309
c12C(CCCCn1nnn2)C(=O)NCc1onc(c2ccccc2Cl)n1	EMOLS-id_222772162,MCULE-3111099113	373.797	BUVOOFQWFVKZQP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-097310
O=C(NCc1nc(c2ccccc2Cl)no1)[C@@H]1CCCCn2nnnc12	ZINC22_670453885	373.797	BUVOOFQWFVKZQP-LLVKDONJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-097311
O=C(NCc1nc(c2ccccc2Cl)no1)[C@H]1CCCCn2nnnc12	ZINC22_670453886	373.797	BUVOOFQWFVKZQP-NSHDSACASA-N	00000000100000110101100000000010000000000000000000000000	31-01-097312
Clc1c(cc(NC(=O)c2sc3CCCCCc3c2)cc1)C(F)(F)F	PC-id_7930866	373.82	JBWBFJXJWZAVIE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097313
c12CN(CCCn1nc(CO)c2)C(=O)Cc1coc2cc(C)c(Cl)cc12	MCULE-1913879640,EMOLS-id_55608562,PC-id_91762040	373.833	SNZRSWZZINYNFL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097314
Clc1ccc(C2(CC2)C(=O)N2CCCn3c(C2)cc(c3)C(=O)NO)cc1	SCHEMBL2520994,PC-id_58465675	373.833	XVKRURQSLANZJS-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-097315
Clc1cccc(c1)N1CCC(C1=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100993621	373.833	HOTNWMDNLVATKP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097316
Clc1ccc(cc1)N1CCC(C1=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101015427	373.833	LALKRYWKISPCLO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097317
O=C(c1noc2c1CCCCC2)NC1CCN(C1=O)c1ccccc1Cl	EMOLS-id_100991296	373.833	GINORMPKLLYQFX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097318
c1(cn2c(ccc(Cl)c2)n1)C(=O)N1CCCn2c(cc(n2)C(CC)O)C1	MCULE-6769228792,EMOLS-id_50529327,PC-id_90648296	373.837	IXAYBMHEFPUCMY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097319
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cn3cc(Cl)ccc3n1)C2	PC-id_100029623,ZINC22_218914649	373.837	IXAYBMHEFPUCMY-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097320
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cn3cc(Cl)ccc3n1)C2	PC-id_100029626,ZINC22_218914727	373.837	IXAYBMHEFPUCMY-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097321
Clc1ccccc1C1=NOC(C1)C(=O)NCc1nnc2CCCCCn12	MCULE-2103474534,PC-id_46977891,SYN-22966024,EMOLS-id_30450847	373.837	PBJUNMTZRWMKEQ-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-097322
Clc1cccc(c1)C(=O)N1CCc2nnc(CNC(=O)C3CC3)n2CC1	MCULE-2452866820,PC-id_42168370,EMOLS-id_20426991,ZINC22_11787925	373.837	NRYSIXMSZQLWMS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-097323
Clc1cccc(c1)N1CCC(C1=O)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319547839	373.837	CANHDQPAZPFOGF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097324
O=C1NCCN1c1cc(ccc1Cl)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101673041	373.837	FPJDDDAURLOINZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097325
O=C1NCCN1c1ccc(c(c1)C(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101673023	373.837	UURJRBQCWVNCOV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097326
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)C(=O)NC1CC1)Cl	EMOLS-id_318968441	373.837	VPDWQKVSZDUTJZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-097327
O=C(C1CCn2c(CC1)nnc2)NC1CCN(C1=O)c1ccccc1Cl	EMOLS-id_319510806	373.837	ZZUXZFYJHJYTTO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097328
O=C(NCc1nnc2n1CCCCC2)[C@@H]1CC(=NO1)c1ccccc1Cl	CoCoCo_507525,PC-id_92613961,ZINC22_19661843	373.837	PBJUNMTZRWMKEQ-HNNXBMFYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-097329
O=C(NCc1nnc2n1CCCCC2)[C@H]1CC(=NO1)c1ccccc1Cl	ZINC22_19661841,PC-id_92613960,CoCoCo_507526	373.837	PBJUNMTZRWMKEQ-OAHLLOKOSA-N	00000011100000110101100000000010000000000000000000000000	31-01-097330
Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCn2nc([C@@H](C)O)cc2C1	ZINC22_223964273,PC-id_100340025	373.858	RZQSQXKPEBPRAS-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097331
Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCn2nc([C@H](C)O)cc2C1	ZINC22_230511480	373.858	RZQSQXKPEBPRAS-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-097332
CC(O)c1cc2CN(CCCn2n1)S(=O)(=O)c1c(C)nn(C)c1Cl	PC-id_91798339,EMOLS-id_55713508,MCULE-7830114124	373.858	RZQSQXKPEBPRAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097333
Clc1c(n2nnc(C(=O)Nc3sc4CCCCCc4n3)c2)cccc1	PC-id_56204562	373.86	GQJAHQKFNMVXBK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-097334
CC1=C2C(=I[I-]C=N1)NC=N2	PC-id_163864240	373.866	FCOYAYDZKJQYJK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-097335
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1ccccc1Cl)C)C	PC-id_20483705,SCHEMBL11199928	373.873	CTQDAUZVFGDKGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097336
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1ccc(cc1)Cl)C)C	PC-id_20483726,SCHEMBL11193645	373.873	QDCQYMNYIQGGJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097337
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1cccc(c1)Cl)C)C	SCHEMBL11201337,PC-id_20484179	373.873	HFCVUOVQRSDFCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097338
Clc1cc(C(=O)C2n3c(C(CCC2)C(=O)O)cc(c3)CCCC)ccc1	PC-id_20483874	373.873	NDDDWYDUEZHDGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097339
c12CN(CCCn1nc(C(C)O)c2)C(=O)C1(CCC1)c1ccc(cc1)Cl	PC-id_90649924,EMOLS-id_50535337,MCULE-2518881007	373.876	NVTNOMNWLBSEEY-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-097340
C1CCC(C1)CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccc(cc1)Cl	PC-id_134808268	373.876	OZNQTUSPSBBAEH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-097341
c1(C(=O)N2CCC(CC2)(O)c2ccc(cc2)Cl)c2CCCCCc2n[nH]1	ZINC22_96232271,MCULE-1898961455,PC-id_75490494,EMOLS-id_50401456,STOCK7S-47487,EMOLS-id_49249379	373.876	YGVZKFJNRBUJGD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-097342
c1(C(=O)N2CCN(CC2)c2c(C)ccc(Cl)c2)c2CCCCCc2on1	MCULE-9215897005,CoCoCo_2401385,PC-id_20923845,EMOLS-id_16234775	373.876	YBNGHQWDZCTWEK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-097343
C[C@@H](O)c1cc2n(n1)CCCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2	PC-id_100051190,ZINC22_220023102	373.876	NVTNOMNWLBSEEY-CQSZACIVSA-N	00001000100000110101100000000010000000000000000000000000	31-01-097344
C[C@H](O)c1cc2n(n1)CCCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2	ZINC22_220023193,PC-id_100051192	373.876	NVTNOMNWLBSEEY-AWEZNQCLSA-N	00001000100000110101100000000010000000000000000000000000	31-01-097345
ClCCCCn1c2c(/C(=N/OCc3ccccc3)/CCN(C2=O)C)cc1	PC-id_10667092	373.876	DNDHDUIGRFKOLU-RELWKKBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097346
ClCCCCn1c2c(C(=NOCc3ccccc3)CCN(C2=O)C)cc1	PC-id_85225306,SCHEMBL9039562	373.876	DNDHDUIGRFKOLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097347
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3cccc(Cl)c3)CCn12	PC-id_45191093,EMOLS-id_20489305,MCULE-7886843922,ChEMBL-DNDi_CHEMBL25793113	373.88	LPHQCLKRAQNSJW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-097348
c1(CN2CCCn3c(cc(n3)C(CC)O)C2)c2c(cccc2n(C)n1)Cl	EMOLS-id_55615813,MCULE-5130587249,PC-id_91764665	373.88	PWVPOHJIYQNABA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097349
CC[C@H](c1nn2c(c1)CN(CCC2)Cc1nn(c2c1c(Cl)ccc2)C)O	PC-id_99972129	373.88	PWVPOHJIYQNABA-GOSISDBHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097350
CC[C@@H](c1nn2c(c1)CN(CCC2)Cc1nn(c2c1c(Cl)ccc2)C)O	PC-id_99972130	373.88	PWVPOHJIYQNABA-SFHVURJKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097351
C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2	CoCoCo_1255900,PC-id_42332259,ZINC22_11983106,CoCoCo_1255899	373.88	LPHQCLKRAQNSJW-ZDUSSCGKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-097352
C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2	PC-id_42332255,CoCoCo_1255898,ZINC22_11983103,CoCoCo_1255897	373.88	LPHQCLKRAQNSJW-CYBMUJFWSA-N	00100000100000110101000000000010000000000000000000000000	31-01-097353
Clc1cccc(c1)C1(CCCCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164503	373.88	QUOTWNJQPCPDBC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-097354
Clc1ccc(cc1)CN1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319463960	373.88	WWIHBYKZHOCRDU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-097355
Clc1ccc(c(c1)C(=O)N1CCCC1)NCc1nnc2n1CCCCC2	MCULE-7662096079,PC-id_145895633,EMOLS-id_320388168	373.88	JCHZULNBJGQPHP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-097356
Clc1cccc(c1)C(=O)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97519762,CHEMBL3552575	373.88	XZWRAWFOEXAEJI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-097357
Clc1ccc(cc1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_46182497,PC-id_97405558,ZINC22_96084735	373.88	DIXYZQGMVMQRIN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-097358
Clc1cccc(c1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	PC-id_97405557,EMOLS-id_46182495,ZINC22_96084734	373.88	ABTJXVWNRYXACB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-097359
Clc1ccc(cc1)N1CCC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101701319	373.88	ZRTXLZXWOATGNA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097360
Clc1cccc(c1)N1CCC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101724501	373.88	QKZGAHZSGHAJGI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097361
Clc1ccc(c(c1)NCc1nnc2n1CCCCC2)C(=O)N1CCCC1	EMOLS-id_318136718	373.88	ZCSQCVNYXVINOE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-097362
Clc1ccc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_51308059	373.88	FKHPGCWGDCCXLE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-097363
Clc1cc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1	PC-id_51308062	373.88	BBCDCYJFVFELMS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-097364
Clc1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cccc1	PC-id_51308057	373.88	VCYJVEBUAMCZFS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-097365
O=C(C1CCn2c(CC1)nnc2)N1CCN(CC1)Cc1ccccc1Cl	EMOLS-id_319105749	373.88	DHTILDPPPBTRMA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-097366
O=C(NC(c1ccc(cc1)Cl)C1CC1)NCc1nnc2n1CCCCC2	PC-id_86927502	373.88	WFJKGRJMXLZMPE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-097367
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3ccc(Cl)s3)C2)n1	PC-id_91781390,EMOLS-id_55663853,MCULE-6970550708	373.9	OHGFAMYZQRJZIJ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-097368
c1(NC(=O)CCn2ccc3c(cccc23)Cl)sc2c(CCCCC2)n1	MCULE-8628047986,EMOLS-id_323289719	373.9	FPROXCSYGCYTOY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-097369
c1(NC(=O)CCn2ccc3ccc(Cl)cc23)sc2c(CCCCC2)n1	MCULE-6358960284,EMOLS-id_323337828	373.9	XIDXWIDHNUACBG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-097370
C[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25554341,ZINC22_12854069,CoCoCo_4223900	373.9	IHYNHBDRMNEGGM-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097371
C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25554346,ZINC22_12854074,CoCoCo_4223899	373.9	IHYNHBDRMNEGGM-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097372
Clc1ccc(NC(C(=O)Nc2sc3CCCCCc3c2C#N)C)cc1	PC-id_45355496,MCULE-8468213445,EMOLS-id_16705190	373.9	IHYNHBDRMNEGGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097373
Clc1ccc(s1)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_99978014	373.9	OHGFAMYZQRJZIJ-LJQANCHMSA-N	00000000100100110101000000000010000000000000000000000000	31-01-097374
Clc1ccc(s1)CN1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_99978017	373.9	OHGFAMYZQRJZIJ-IBGZPJMESA-N	00000000100100110101000000000010000000000000000000000000	31-01-097375
N#Cc1c(NC(=O)CNCc2cccc(Cl)c2)sc2c1CCCCC2	ZINC22_58120203,PC-id_4797511,CoCoCo_3683711,EMOLS-id_48956268,MCULE-2243260976	373.9	SCVOLQFXXIRLMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097376
Cc1nn(c2ccccc2)c(Cl)c1CSc1nnc2n1CCCCC2	PC-id_16377453,ZINC22_9377860,EMOLS-id_11835328,CoCoCo_4054345,MCULE-1803054432	373.903	FEPWMTUQJFMYOZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-097377
COC(=O)C(Cc1cc2c(n1Cc1ccc(cc1)Cl)CCCCC2)(C)C	PC-id_139633764	373.916	GYBVGKFVSDAGOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097378
CCCCN(c1nc2n(c1C)CCCCC2)C(=O)C1=CC(=CC=CC1)Cl	PC-id_143304806	373.92	RPHCCLCRGNJULS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-097379
Clc1ccc(cc1)N1CCN(CC1)CCCc1onc2c1CCCCC2	SCHEMBL7963539,PC-id_21258071	373.92	PYIAQPHSPCIWAV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-097380
CN(C)CCC1CN(Cc2cccn2C1)C(=O)CCc1ccccc1Cl	EMOLS-id_313838115	373.92	WQZIEELICNWMAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097381
CN(C)CC[C@@H]1CN(C(=O)CCc2ccccc2Cl)Cc2cccn2C1	ZINC22_585095553	373.92	WQZIEELICNWMAG-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097382
CN(C)CC[C@H]1CN(C(=O)CCc2ccccc2Cl)Cc2cccn2C1	ZINC22_585095554	373.92	WQZIEELICNWMAG-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097383
Clc1cccc(N2CCCC2)c1CNCCc1nnc2n1CCCCC2	EMOLS-id_45697323,ZINC22_89768051,PC-id_71905766,MCULE-2262058571	373.923	KEBWFXLAGJTNMF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097384
Cl/C=C/C(=CC(=C/C)Nc1nc2=NC(=CCC=c2[nH]1)N(CC(C)C)C)/C	PC-id_142949837	373.923	RCDAARYUEARVNT-OSRTXFJMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-097385
COC1(COc2c(sc(c2OC1)Br)Br)OC	SCHEMBL14748826,PC-id_89423987	374.046	HFBLBZWCPIDPEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097386
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CCC(ONS2)C=O	PC-id_155062091	374.085	BQIZZNYIPOVJHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097387
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2=O)C=C	PC-id_154682055	374.085	SHXAXYWSXPJZRN-AIGWJHGLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097388
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2=O)C=C	PC-id_154682051	374.085	SHXAXYWSXPJZRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097389
C1CC(C(=O)C2=C(C1)N=C(S2)NC(=O)CNN)C(=O)C3=CN=C(C=C3)N	PC-id_148878836	374.116	PCQLMRZFJWRLBC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-097390
C1CN(CCN2C1=NC(=N2)CC3=CC=CC=C3)C(=O)C4=CC=CC5=C4COC5	PC-id_164691183,MCULE-1420256709	374.174	QMXVYBOXRNYPSS-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-097391
CC1=C(C(=CC=C1)Cl)NC(=O)[C@H](C)N2CC3=C(CC(C2)(C)C)N(N=C3)C	PC-id_164630212,ZINC22_879011632	374.187	UXTWJQQSJHYAAB-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097392
COc1nn2c(c1Br)OC(=O)C(=O)OC2CN1CCCCC1	PC-id_141118799	374.187	HBBUZSBPHBUWSK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097393
C1CCc2nnc(n2CC1)/C(=C/1c2cc(cc(c2NC1=O)Cl)Cl)/C#N	ChEMBL-DNDi_CHEMBL1365627,CoCoCo_3714267,PC-id_135512363,CHEMBL1365627	374.224	QCZLOPQPLXGPLC-SDNWHVSQSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097394
C1CCc2nnc(n2CC1)/C(=C
/c2cc(cc(c2NC1=O)Cl)Cl)/C#N	PC-id_135607481,CoCoCo_3714268	374.224	QCZLOPQPLXGPLC-KAMYIIQDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097395
Clc1c2=NC(=O)C(=c2cc(Cl)c1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_6180626	374.224	XQHLSDXLXKGVGN-LFIBNONCSA-N	00000011000000100111000000001010000000000000000000000000	31-01-097396
Clc1c2=NC(=O)C(=c2cc(Cl)c1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_6836099	374.224	XQHLSDXLXKGVGN-UHFFFAOYSA-N	00000011000000100111000000001010000000000000000000000000	31-01-097397
Brc1ccc2c(c1)[nH]nc2NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_50596825,STOCK7S-52440,MCULE-3642100362,EMOLS-id_54878150,PC-id_91821024	374.235	KLCQQWNEZKXLNY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097398
Brc1cc(C(=O)N2CCCc3c(C2)cnn3C)c2c(c1)[nH]cn2	EMOLS-id_101678225	374.235	LGAWWDUOBDSLFH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097399
N#Cc1ccc(cc1Br)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101858467	374.235	GAQHNYGQLXAMDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097400
CC1=C(SC2=C1C(=O)NCCC2)C(C)C3CCN(CC3)CC4(CCC4)C	PC-id_153715159	374.239	XHYALVZSIDGPML-UHFFFAOYSA-N	00001000100010000100000000000010000000000000000000000000	31-01-097401
CCCN1C(=CC(=N1)C)CN(C)C(=O)C[C@H]2CCC3=NN(C(=O)N3CC2)C	PC-id_164637515	374.243	XQWWBBSZKQHVPT-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097402
CCCN1C(=CC(=N1)C)CN(C)C(=O)[C@H]2CCC3=NN(C(=O)N3CC2)CC	PC-id_164633680	374.243	UKXYXIAETVSXHS-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097403
Fc1ccc(c(c1CSc1nnc2n1CCCCC2)F)Br	PC-id_106270151	374.247	IVXICFRMZATEEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097404
N#C/C(=CN(C)C)/C(=O)c1cc2c([nH]1)C=C(C(=CC2)C(C)C)Br	PC-id_145211477	374.275	YKXGLOODUKVODQ-JLHYYAGUSA-N	00000000100000000110000000000010000000000000000000000000	31-01-097405
Cc1ccc(c(c1Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101948334	374.285	RBGPUZASOHBDDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097406
Clc1ccc(cc1Cl)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948490	374.285	RNEPBQSSVSYKIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097407
Clc1cccc(c1CS(=O)(=O)N1CCCc2c(C1)cnn2C)Cl	EMOLS-id_101948466	374.285	SDWGUVPCYUPOAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097408
BrC(C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)CC	PC-id_63462723	374.293	HJTNRIUZQRPENV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-097409
COC(=O)c1c(sc2c1CCCCC2)NC(=O)C(Br)(C)C	PC-id_114327602	374.293	CQQGICDYSOLPAX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-097410
COC(=O)c1c2-c(c(c1NC(=O)C)C(=O)OC)ccc(cc2)CC(=O)NO	PC-id_141580617	374.345	JWTVUPCSBXUJED-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-097411
O=CN(Cc1ccc2-c(cc1)c(c(c2C(=O)OC)NC(=O)C)C(=O)OC)O	PC-id_141580547	374.345	IHNKNGMZIJFVGR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-097412
O(C1(n2ncc(c2N(C=C(C1)C(=O)C)C(=O)C)C#N)C(=O)OCC)C(=O)C	PC-id_12778079	374.348	XXEYVCUVHVVFDT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-097413
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C)C(=O)O)cc1	PC-id_46049189	374.366	PJGCXQNXIBCDPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097414
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)O)cc1	PC-id_46049192	374.366	NOHMWQGWZRMBTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097415
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)O)C)cc1	PC-id_46049190	374.366	HSURZRKTYAXDTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097416
BrCC(CCC)(CCC)CSc1n2CCCCCc2nn1	PC-id_65005754	374.383	HGSJKGKKHMZARL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097417
BrCCCCCCCCCSc1nnc2n1CCCCC2	PC-id_105343444	374.383	JASGJWBLHWLADU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097418
CCNC(=O)C1=CN(CC(c2c1cn[nH]2)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777849,PC-id_121358781	374.385	GEAQGIFXFJDOTR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-097419
CCNC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)F)F	PC-id_121358788,SCHEMBL17777856	374.385	IIJMJGDCPQMIGK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-097420
CCOc1cc(ccc1OC(F)F)C=C(c1nnc2n1CCCCC2)C#N	MCULE-5412135617,PC-id_72036146,EMOLS-id_43879282	374.385	METMCZLVNNMZIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097421
CCOc1cc(ccc1OC(F)F)/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_8275471,CoCoCo_3456492	374.385	METMCZLVNNMZIL-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097422
CCOc1cc(ccc1OC(F)F)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_94689650,CoCoCo_3456493	374.385	METMCZLVNNMZIL-UVTDQMKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097423
CNC(=O)C1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777847,PC-id_121358779	374.385	AFGDWSHQGTYHPO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-097424
CN(C(=O)C1=CN(CC(c2c1cn[nH]2)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL17777888,PC-id_121358820	374.385	ZIHDYBTWQGXNRF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-097425
CNC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777843,PC-id_121358775	374.385	KDCPPTSJGBTCHL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-097426
CN(C(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)F)F)C	PC-id_121358870,SCHEMBL17777942	374.385	QFHOHGCEWSAFCJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-097427
Fc1ccc(cc1F)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	ZINC22_96259366,EMOLS-id_44370280,PC-id_97519450	374.385	KCVDHCIGZSHADR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-097428
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)C2(F)CCC2)c1	ZINC22_1565545963,EMOLS-id_313762765	374.385	SRVZVSUSDPJOAX-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-097429
Fc1cc(F)cc(c1)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	EMOLS-id_44370282,ZINC22_96259367,PC-id_97519451	374.385	GBOJYNFFROWSBL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-097430
FC(F)Oc1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1OCC	PC-id_78650383	374.385	BSQZHVNLQRGLTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097431
FC(F)Oc1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1OCC	PC-id_8275479	374.385	BSQZHVNLQRGLTI-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097432
O=C(c1noc2c1CCCCC2)NC(c1nc2c(n1C(F)F)cccc2)C	EMOLS-id_100952595	374.385	MOYSEZOHUXOGFX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097433
O=C(N1CCCc2c(C1)cnn2C)C1CC(=O)N(C1)c1c(F)cccc1F	EMOLS-id_101674769	374.385	DDNMJWPIKIGMRR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097434
O(C(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(O)C)CC	PC-id_23296755	374.388	YXCOJXOCFNFHNG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-097435
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1C=C[C@@H](NS2(=O)=O)C	SCHEMBL18353451	374.389	ODNCZQNRWIEQJQ-JTQLQIEISA-N	00000000100000110111000000000010000000000000000000000000	31-01-097436
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1C=CC(NS2(=O)=O)C	PC-id_140762797	374.389	ODNCZQNRWIEQJQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-097437
c1(C(=O)OC)cc2n(CCCN(C2)C(=O)Nc2c(OC)ccc(OC)c2)n1	PC-id_50951275,ZINC22_65373664,EMOLS-id_32374042,MCULE-6142615235	374.391	VDGRVKVAZLAGAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097438
COc1cc(c(cc1)CCNC(=O)c1nn2CC(CNC(=O)c2c1)O)OC	PC-id_135088080	374.391	MASJQMSMAKSKSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097439
s1c2c(CCCCC2)c(c1NC(=O)c1nccnc1C(=O)[O-])C(=O)OC	PC-id_52902078	374.391	NPEGWAVRLAWSLJ-UHFFFAOYSA-M	00000000100000100101000000000010000000000000000000000000	31-01-097440
N#C/C(=C/c1ccc(cc1)OC(=O)c1ccco1)/c1nnc2n1CCCCC2	CoCoCo_3728165,PC-id_75363159	374.393	VQNHGILUGOBTEQ-SSZFMOIBSA-N	00000000101000110101000000000010000000000000000000000000	31-01-097441
N#CC(=Cc1ccc(cc1)OC(=O)c1ccco1)c1nnc2n1CCCCC2	EMOLS-id_44489991,MCULE-5576865464,PC-id_4307433	374.393	VQNHGILUGOBTEQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-097442
N#C/C(=Cc1ccc(cc1)OC(=O)c1ccco1)/c1nnc2n1CCCCC2	PC-id_6064460,CoCoCo_3728164	374.393	VQNHGILUGOBTEQ-DTQAZKPQSA-N	00000000101000110101000000000010000000000000000000000000	31-01-097443
C1CCC(CC1)c1noc(n1)CNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135088223	374.394	HVXBDCJVYPVJNY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097444
c1(C(=O)NCc2c(C)non2)cn2c(CCN(CC2)C(=O)C2CCOC2)n1	EMOLS-id_331148331,MCULE-1992115117	374.394	DXLVQSGZHDIJGP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-097445
c1(C(=O)NCCc2noc(C3CC3)n2)cn2c(CCN(CC(=O)O)CC2)n1	ZINC22_1875240712,MCULE-8121638785,EMOLS-id_331091458	374.394	XWPDTYOTOGRSPJ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-097446
c1(C(=O)NCCCOC)cn2c(CCN(CC2)C(=O)c2cnc(cn2)O)n1	EMOLS-id_331121955,MCULE-3359585098,ZINC22_1875246970	374.394	OOWNDDXQGWLBSJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-097447
c1(C(=O)N[C@H]2COC[C@H]2OC)cn2c(CCN(CC2)C(=O)c2cn[nH]c2)n1	ZINC22_1875251236,MCULE-6614382517,EMOLS-id_331142971	374.394	ZZFZIPVOUODIKB-UONOGXRCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-097448
Cc1nonc1CNC(=O)c1cn2c(n1)CCN(C(=O)[C@@H]1CCOC1)CC2	ZINC22_1875248656	374.394	DXLVQSGZHDIJGP-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-097449
Cc1nonc1CNC(=O)c1cn2c(n1)CCN(C(=O)[C@H]1CCOC1)CC2	ZINC22_1875248657	374.394	DXLVQSGZHDIJGP-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-097450
c1(onc2ncccc12)C(=O)N1CCn2c(CC1)nc(Cc1ccccc1)n2	MCULE-8492526732,ZINC22_2356135707,EMOLS-id_337756670	374.396	PQGGRBOZCPRTJR-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-097451
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCN1CCOCC1	PC-id_19523839	374.401	HAOHJFOWGWHUSS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097452
s1c2CCCCCc2cc1C(=O)C(C(=O)Nc1c(F)cc(F)cc1)C#N	PC-id_56796632	374.404	NUZRKGFHLJUPMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097453
O=C(NCc1nnc2n1CCCCC2)NC1CCN(CC(F)(F)F)CC1	ZINC22_65509479,EMOLS-id_316822569,MCULE-7284073982	374.405	BTFFOHHYEHVMOA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097454
CCOC(=O)CC(c1ccc(cc1)F)NC(=O)c1noc2c1CCCCC2	PC-id_121579155,MCULE-2820598078,EMOLS-id_76043755	374.406	YVXBFENPJUPPTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097455
CCOC(=O)C[C@H](NC(=O)c1noc2c1CCCCC2)c1ccc(F)cc1	ZINC22_129910659	374.406	YVXBFENPJUPPTK-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097456
CCOC(=O)C[C@@H](NC(=O)c1noc2c1CCCCC2)c1ccc(F)cc1	ZINC22_129910880	374.406	YVXBFENPJUPPTK-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097457
Fc1ccc(c(c1)NC(=O)c1noc2c1CCCCC2)OCC1CCCO1	EMOLS-id_100119018	374.406	XHAABVGZWAHYHY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-097458
s1c(c2OCCOCCOCCOc2c1C(=O)OCC)C(=O)OCC	PC-id_14340371	374.406	ODWGZEISDNYRTO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097459
CCOC(=O)c1sc(c2c1CCCCC2=O)Oc1ccc2c(c1)OCO2	PC-id_70033271,SCHEMBL7247764	374.408	WAMKMMGVJPMKNL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097460
c12C(=O)N(CCCn1nc(C(=O)NCCCOC)c2)Cc1ccc(cc1)F	MCULE-6226808929,EMOLS-id_32632852,PC-id_53034502	374.409	JSMGDZLIAKNDKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097461
c12C(=O)N(CCCn1nc(C(=O)NCCCOC)c2)Cc1cccc(F)c1	EMOLS-id_32632994,PC-id_53034538,MCULE-9138003685	374.409	PHHDZYJEDDBQPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097462
c12C(=O)NCC(O)Cn1nc(C(=O)N(CC(C)C)Cc1ccc(cc1)F)c2	EMOLS-id_55606814,MCULE-2740639815,PC-id_91829121	374.409	HWARKLCDSHNVNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097463
c12C(=O)NCC(O)Cn1nc(C(=O)N(CCCC)Cc1ccccc1F)c2	MCULE-3927644284,PC-id_91836014,EMOLS-id_55654996	374.409	DXDBTHFGLRYQOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097464
c12C(=O)NCC(O)Cn1nc(C(=O)N(CCCC)Cc1ccc(cc1)F)c2	PC-id_91831949,EMOLS-id_55626862,MCULE-9947538230	374.409	NQPOOFKIVPFJLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097465
CCCCN(Cc1ccccc1F)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244602078	374.409	DXDBTHFGLRYQOU-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097466
CCCCN(Cc1ccccc1F)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244602079	374.409	DXDBTHFGLRYQOU-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097467
CC(C)CN(Cc1ccc(F)cc1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244673813	374.409	HWARKLCDSHNVNU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097468
CC(C)CN(Cc1ccc(F)cc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244673814	374.409	HWARKLCDSHNVNU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097469
CCCCN(Cc1ccc(F)cc1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244734962	374.409	NQPOOFKIVPFJLW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097470
CCCCN(Cc1ccc(F)cc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244734963	374.409	NQPOOFKIVPFJLW-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097471
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OC	PC-id_1008723,ZINC22_668456,CoCoCo_5819341,EMOLS-id_5370343,SPECS-id_AK-968/12385937,MCULE-6753768630,TIMTEC298388	374.411	LWPMQABWECQVEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097472
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCCCC2)c1C(=O)OC	PC-id_1290251,TIMTEC69844,MCULE-6152269934,CoCoCo_898760,EMOLS-id_2197175,ZINC22_1111958	374.411	BBRSFLBIRYSPBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097473
c1(NC(=O)c2ccncc2C(=O)O)sc2c(CCCCC2)c1C(=O)OC	PC-id_53271038,MCULE-3972659628	374.411	GEYKZGGNSXNDAH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-097474
c1(NC(=O)c2ncccc2C(=O)O)sc2c(CCCCC2)c1C(=O)OC	MCULE-3319012864,PC-id_53270896	374.411	RZBPCBXSDSTSCA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-097475
COC(=O)[C@H]1C(=O)Nc2c(CN1C(=O)OCc1ccccc1)cc(s2)C	SCHEMBL19273936	374.411	XGEUCSUIAJXRDE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097476
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1	PC-id_7650116	374.411	XUWIODKRADAPAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097477
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1	PC-id_7650096	374.411	YHXXOWZLYJQFFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097478
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c([N+](=O)[O-])cccc1	PC-id_29383770	374.411	VOEDQYDPWQECAK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097479
s1c2c(CCCCC2)c(c1NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_4322610	374.411	WBZGNDFISUHPDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097480
c1(C(C(C)C)NC(=O)C(=O)Nc2ccc(cc2)F)nnc2CCNCCn12	PC-id_56707137,MCULE-1264495366,EMOLS-id_36433928	374.413	CNCJCVPCUAQJCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097481
CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1)c1nnc2n1CCNCC2	ZINC22_67714754,PC-id_95204776	374.413	CNCJCVPCUAQJCW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097482
CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1)c1nnc2n1CCNCC2	ZINC22_67714755,PC-id_95204777	374.413	CNCJCVPCUAQJCW-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097483
Fc1cc([N+](=O)[O-])c(N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_46697864	374.413	LFHBSPYAONHBLD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-097484
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O=C(NC1CCn2c(CC1)nnn2)NC1CCOC(C1)c1ccc(cc1)F	EMOLS-id_102168448	374.413	JYUFYNMDVFVAGQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-097486
c12C(=O)NCCCc1nc(NC(=O)CNC(=O)OCc1ccccc1)s2	EMOLS-id_48619054,PC-id_72720011,MCULE-2258414028,ZINC22_96124403	374.414	HRQCLMWSZOSBHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097487
CN1C(=O)c2c(C1=O)cc(cc2)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948313	374.414	KOMXOUWRHJCOCC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097488
COCC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)N	SCHEMBL1770643,PC-id_58256685	374.414	UYXOHRVLEJWCAV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-097489
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(N)cc1	PC-id_43004222	374.414	CYSJNPXKWUMEQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097490
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1=NNC(=O)CC1)C#N	PC-id_3889217	374.414	QOGDGCFFONFOOE-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-097491
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C1CN(CCn2c1nn(c2=O)Cc1ccccc1)S(=O)(=O)c1cnc[nH]1	PC-id_91922529,MCULE-8846006035,EMOLS-id_49731365	374.418	SOMQIIXPEJHTRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097495
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)Cn1nnnc1)C)C#N	PC-id_8890235	374.418	IEZOGKGWVHTFMI-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-097496
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)Cn1nnnc1)C)C#N	PC-id_8890236	374.418	IEZOGKGWVHTFMI-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097497
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cn1nnnc1)C)C#N	PC-id_84865993	374.418	IEZOGKGWVHTFMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097498
S(c1oc(CN2CCCn3nc(cc3C2)C(=O)O)cc1)c1n(C)cnn1	PC-id_50969394	374.418	RHTSXXHCPJGPAZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-097499
O=C(C1CCCN1C(=O)c1cc2c(s1)CCCCC2)NCC(F)(F)F	EMOLS-id_44526556,PC-id_71897631,MCULE-2018671051	374.421	WKQSXYRZOYNGBG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-097500
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O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_94076046,ZINC22_45953212	374.421	WKQSXYRZOYNGBG-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-097502
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C=C(c1c[nH]c2=CC=CCC=c12)C(c1ccccc1)Nc1ccc(c(c1)F)F	PC-id_139374316,SCHEMBL21228379	374.426	LAGAWCXAIUITHA-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-097504
Fc1ccc(CN2CCc3ncc(CNC(=O)C4CCC4)n3CC2)cc1F	ZINC22_2055772167,EMOLS-id_313779912	374.428	CPNDQCSGYLGAND-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-097505
O=C(C1CC1c1ccc(c(c1)F)F)NCCCc1nnc2n1CCCCC2	EMOLS-id_50318643,MCULE-3364904118,PC-id_102556782	374.428	OYCPXFLWRAASAA-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-097506
O=C(C1CCn2c(CC1)nnc2)N1CCC(CC1)Cc1c(F)cccc1F	EMOLS-id_319025109	374.428	ZHSKRMRHXTWWJY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-097507
O=C(C1CCn2c(CC1)nnc2)NCC1(CCCC1)c1cccc(c1F)F	EMOLS-id_319863825	374.428	CGBLAKYJWZLSET-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097508
O=C(NCc1nnc2n1CCCCC2)C1(c2ccc(F)cc2F)CCCC1	PC-id_138995219,MCULE-8950673778,ZINC22_133034924,EMOLS-id_320335077	374.428	RMDVBDOXDKBPGG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097509
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O=C(NCCCc1nnc2n1CCCCC2)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1	PC-id_99805877,ZINC22_170623439	374.428	OYCPXFLWRAASAA-HUUCEWRRSA-N	00100000100000110101100000000010000000000000000000000000	31-01-097511
O=C(NCCCc1nnc2n1CCCCC2)[C@H]1C[C@H]1c1ccc(F)c(F)c1	ZINC22_170623436,PC-id_99805874	374.428	OYCPXFLWRAASAA-GJZGRUSLSA-N	00100000100000110101100000000010000000000000000000000000	31-01-097512
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Cc1ccccc1NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(=O)F	PC-id_137636955	374.429	SSDFBGNSQZEVIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097514
CCOC(=O)c1cc(c2-c1ccccc2C=Cc1ccccc1)C(=O)OCC	PC-id_92016381	374.429	YUTSPJNPTYHBKR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-097515
CCOC(=O)c1c(/C=C/c2ccccc2)c(c2-c1ccccc2)C(=O)OCC	PC-id_101588844	374.429	IHLWUQNVHMBWBT-FOCLMDBBSA-N	00000010100000110110000000000010000000000000000000000000	31-01-097516
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COc1ccc(c2ccc(Cn3ccc4c3C(=O)N(C)CCC4=O)cc2)cc1	CHEMBL1796994,PC-id_46946216	374.432	IDHYGGLMMKMEJP-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-097518
FC1(CCC1)C(=O)N1CCc2nc(sc2CC1)C(=O)Nc1ccncc1	EMOLS-id_313793851,ZINC22_1565553681	374.432	HWRINPMYYKHBBK-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-097519
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c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)C1CCC(=O)N(CC=C)C1	EMOLS-id_43093095,PC-id_56890847,MCULE-3892735369	374.434	POVKVOIILDKMRZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097521
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(c(O)c1)OC	ZINC22_91350965,PC-id_72850750,MCULE-7625016205,EMOLS-id_46034645	374.434	JGANVTDXETXORR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097522
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CCOc1ccc(CC(=O)N2CCc3nn(C)c(=O)n3CC2)cc1OCC	MCULE-8367386848,EMOLS-id_50585887,PC-id_91910626	374.434	VXORUCFGKHGYAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097525
CCOc1ccc(CC(=O)NC2CCc3n[nH]c(=O)n3CC2)cc1OCC	MCULE-2271978729,EMOLS-id_50586649,PC-id_91910807	374.434	DOPOGWHSHASMIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097526
COc1ccc(c(c1)OC)CCNC(=O)CC1CCn2c(CC1)n[nH]c2=O	MCULE-8702299778,EMOLS-id_239609058	374.434	CWQWVGHBDVQHTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097527
COc1ccc(cc1)OCCCNC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_86836590	374.434	DYXDVBPOCLCTRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097528
COc1ccc(CCC(=O)NC2CCc3nn(C)c(=O)n3CC2)cc1OC	MCULE-3016826227,PC-id_91910825,EMOLS-id_50586089	374.434	OBHBNZCFKKCORN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097529
COc1ccc(CCNC(=O)Cn2nc3CCCCCn3c2=O)cc1OC	PC-id_91906293,MCULE-8608471380,EMOLS-id_48461815	374.434	VFCOYEOGOGCPFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097530
COc1cc(C(=O)NCCc2nnc3n2CCCCC3)cc(OC)c1OC	EMOLS-id_24081290,ZINC22_32876300,PC-id_40111128,MCULE-3477354210,CoCoCo_4491027	374.434	AIMBOEJJFBMVEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097531
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OCCN(C(=O)C1CCn2c(CC1)nnc2)Cc1cc(OC)ccc1OC	EMOLS-id_316636503	374.434	OPFHRSZLOSRTKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097533
OCCN(C(=O)Cn1nc2n(c1=O)CCCCC2)Cc1ccc(cc1)OC	EMOLS-id_316710380	374.434	GPHXELIIPFGZFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097534
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n12CCCN(C(=O)c3ccccc3)Cc1ccc2C(=O)NCc1cccnc1	EMOLS-id_317417055,MCULE-3397159172	374.436	INARMIXPKYMZJR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-097541
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CN1CC[C@@H](C(=O)N2CCc3nc(C(=O)N4CCNC(=O)C4)cn3CC2)C1	ZINC22_1875247694	374.437	OMWWEEHCBHTLPR-CYBMUJFWSA-N	00000010100010000101000000000010000000000000000000000000	31-01-097557
CN1CC[C@H](C(=O)N2CCc3nc(C(=O)N4CCNC(=O)C4)cn3CC2)C1	ZINC22_1875247695	374.437	OMWWEEHCBHTLPR-ZDUSSCGKSA-N	00000010100010000101000000000010000000000000000000000000	31-01-097558
CN1CCN(CC1)C(=O)C1CN(Cc2ncnn2C1)C(=O)[C@@H]1[C@H]2COC[C@@H]12	EMOLS-id_313723608	374.437	BHNKIFGELRCFQT-BLCNCEAHSA-N	00100010100010000101010000000010000000000000000000000000	31-01-097559
CN1CCN(C(=O)[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@@H]34)Cc3ncnn3C2)CC1	ZINC22_1565546905	374.437	BHNKIFGELRCFQT-NYTXWWLZSA-N	00100010100010000101010000000010000000000000000000000000	31-01-097560
CN1CCN(C(=O)[C@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@@H]34)Cc3ncnn3C2)CC1	ZINC22_1565546910	374.437	BHNKIFGELRCFQT-TTZDDIAXSA-N	00100010100010000101010000000010000000000000000000000000	31-01-097561
CN(Cc1n[nH]c2c1CCCCC2)C(=O)N[C@@H]1C[C@H]2C(=O)NCC(=O)N2C1	ZINC22_584884172,EMOLS-id_177357892,MCULE-3274739023	374.437	XDDJKLQCBDXXJY-ABAIWWIYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-097562
COc1nc(C)cc(C)c1CNC(=O)N(C)Cc1nnc2n1CCOCC2	ZINC22_1615553224,MCULE-4787530502,EMOLS-id_320328649	374.437	REFMKMWRCOGTKB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-097563
COCCOc1ccc(CNC(=O)NCc2nnc3n2CCCCC3)cn1	ZINC22_43779941	374.437	BIFLGKRQULGDGT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-097564
O=C(NCc1nn2CCCN(Cc2c1)CCC)CC1C(=O)N(C(=O)N=C1)C	PC-id_77843581	374.437	YGWQAQZUNGOBGT-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-097565
C=Nc1ccccc1NC1CNc2c(C=N1)[nH]c(=O)n2[C@@H](c1ccccc1)C	PC-id_143306626	374.439	YKOJUPTUMUHCBV-MJTSIZKDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-097566
c12CN(CCCn1nc(CNC(=O)CCc1n[nH]c(C)n1)c2)C(=O)N(C)C	ZINC22_91694956,MCULE-1923659879,PC-id_72897217,EMOLS-id_46068169	374.441	OMKONGCERJONMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097567
c12CN(CCCn1nc(CNC(=O)CCCn1cncn1)c2)C(=O)N(C)C	ZINC22_82087195,PC-id_70707548,EMOLS-id_44424429,MCULE-1757582631	374.441	XWRAPPCHYAENCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097568
c1(C(=O)NC(C)Cn2cncn2)cn2c(CCN(CC2)C(=O)NCCC)n1	EMOLS-id_331104809,MCULE-9671694281	374.441	SBFLJNNBQAJAAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097569
CCCNC(=O)N1CCc2nc(C(=O)N[C@H](C)Cn3cncn3)cn2CC1	ZINC22_1875246608	374.441	SBFLJNNBQAJAAM-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097570
CCCNC(=O)N1CCc2nc(C(=O)N[C@@H](C)Cn3cncn3)cn2CC1	ZINC22_1875246609	374.441	SBFLJNNBQAJAAM-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097571
CCn1c(n[nH]c1=O)CC1CCN(CC1)C(=O)C1CCCCn2c1nnn2	PC-id_50954668,EMOLS-id_32380554,MCULE-6244165090	374.441	GKSOOPHHXMVKEP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097572
CCn1c(n[nH]c1=O)CC1CCN(CC1)C(=O)[C@@H]1CCCCn2c1nnn2	PC-id_95122664	374.441	GKSOOPHHXMVKEP-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097573
CCn1c(n[nH]c1=O)CC1CCN(CC1)C(=O)[C@H]1CCCCn2c1nnn2	PC-id_95122665	374.441	GKSOOPHHXMVKEP-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097574
CN(C(=O)Cn1nc2n(c1=O)CCN(C2)Cc1nnc2n1CCCCC2)C	EMOLS-id_99867152	374.441	AIRLEXNSOGWCPW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-097575
c12CN(CCCn1nc(CN1CCC(CC1)OCC)c2)CCC(F)(F)F	PC-id_56897886,MCULE-4147362684,ZINC22_72158489,EMOLS-id_43121953	374.444	OTSUNKZPBADMNH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097576
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)NCC(C(C)C)N(C)C)n1	MCULE-4355564361,SYN-22967107,PC-id_46977919,EMOLS-id_30450893	374.444	PFMIJYKYWITAJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097577
CC(C)[C@@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2)N(C)C	CoCoCo_507571,ZINC22_19661968,PC-id_92614006	374.444	PFMIJYKYWITAJP-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097578
CC(C)[C@H](CNC(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2)N(C)C	PC-id_92614007,ZINC22_19661970,CoCoCo_507572	374.444	PFMIJYKYWITAJP-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097579
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCCN(CC)CC	PC-id_19523851	374.444	SXTDCIMPKWNCNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097580
COc1ccc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1OC	MCULE-2667138620,ZINC22_5361794,EMOLS-id_3589876,CoCoCo_2861308,PC-id_7649840	374.451	HUQZJLLABRIXBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097581
COc1ccc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(OC)c1	CoCoCo_2861379,MCULE-5531398282,EMOLS-id_43703945,ZINC22_4767916,PC-id_7352034	374.451	GQLKBGWBZROHOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097582
c12CN(CCCn1nc(CN(C)Cc1ccc(cc1)F)c2)C(=O)CCOC	PC-id_56916635,EMOLS-id_43178973,MCULE-2259917400,ZINC22_72480649	374.452	IUPJUGUHJGYKFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097583
c12CN(CCCn1nc(CNC(=O)c1c(cccc1F)OC)c2)CC(C)C	PC-id_70706913,ZINC22_82086920,EMOLS-id_44424215,MCULE-4410970085	374.452	UAOIYRZRCDXGCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097584
S(c1n2CCCCCc2nn1)CC(=O)NCc1ccc(cc1)C(=O)OC	PC-id_7877485	374.457	SZBXCNKAQNEQLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097681
c12CN(CCCn1nc(CNC(=O)c1ccc(c(F)c1)OC)c2)CC(C)C	EMOLS-id_44435509,MCULE-1258628795,ZINC22_82109169,PC-id_70738972	374.452	GYQDJARBRFIBPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097585
c12CN(CCCn1nc(CNC(=O)c1cc(F)ccc1OC)c2)CC(C)C	MCULE-9110496130,PC-id_70756239,ZINC22_82126231,EMOLS-id_44441593	374.452	YQKVAZHBOMUCDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097586
c12CN(CCCn1nc(CNC(=O)Cc1ccc(c(F)c1)O)c2)CC(C)C	ZINC22_82109050,EMOLS-id_44435295,MCULE-6605862601,PC-id_70738420	374.452	HQNICDCQGKHTAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097587
c12CN(CCCn1nc(CNC(=O)COc1cccc(F)c1)c2)CC(C)C	MCULE-9978112284,EMOLS-id_44451469,ZINC22_82161799,PC-id_70784844	374.452	AOKLPWQJIRMFLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097588
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(c(F)c1C)C	ZINC22_82138586,PC-id_70769467,EMOLS-id_44446145,MCULE-4465820145	374.452	CSIBPFKJMQYEHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097589
CC(CN(C(=O)C1CCn2c(CC1)nnc2)CC(c1ccc(cc1)F)O)C	EMOLS-id_278636590	374.452	XUAMZRORRADCJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097590
COc1cccc(c1C(NC(=O)N1Cc2cnn(c2CC(C1)(C)C)C)C)F	EMOLS-id_316876268,MCULE-9936586504	374.452	KZUWQBQUPSFGPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097591
COc1cccc(F)c1[C@@H](C)NC(=O)N1Cc2cnn(C)c2CC(C)(C)C1	ZINC22_663185888	374.452	KZUWQBQUPSFGPU-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097592
COc1cccc(F)c1[C@H](C)NC(=O)N1Cc2cnn(C)c2CC(C)(C)C1	ZINC22_663185889	374.452	KZUWQBQUPSFGPU-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097593
c12N(CCCCc1cc(C(=O)Nc1ccc3c(OCO3)c1)s2)CCOC	EMOLS-id_97030939,MCULE-7054940578	374.454	QEDNFCHICMWDDG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097594
c1(c2CCCCCc2sc1NC(=O)c1ccco1)C(=O)N1CCOCC1	ZINC22_1188848,CoCoCo_81757,Chemmine_6612,MCULE-2981200766,EMOLS-id_1230985,PC-id_1350878,BAS-00486791	374.454	NPNQYZVGWDAEEQ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-097595
C1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)C2C=CC(C2)C1C(=O)O	EMOLS-id_50989334,MCULE-6849663819,PC-id_2886853	374.454	DFZZQOHHWGVUOO-UHFFFAOYSA-N	00000011100000000100000000000110000000000000000000000000	31-01-097596
c1(NC(=O)c2ccc(cc2OC)OC)sc2c(CCCCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBLF0806-0364,ZINC22_4176855,EMOLS-id_4948377,CoCoCo_5014624,MCULE-5667771049,PC-id_5175514	374.454	YVQIJOUYIHXDIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097597
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCCCC2)c1C(=O)N	TIMTEC596003,EMOLS-id_1773892,CoCoCo_6321154,ZINC22_6248681,PC-id_4607289,MCULE-8942866645	374.454	ZKOIQESKNLMCBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097598
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_2358480,ZINC22_2780061,CHEMBL209016,MCULE-7905756337,PC-id_2171072,ChEMBL-DNDi_CHEMBL5529091,BindingDB_PC-id_2171072,CNP0291296,CoCoCo_655349	374.454	OBTRHSACGAHRDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097599
c1(NC(=O)c2cccc(OC)c2OC)sc2c(CCCCC2)c1C(=O)N	TIMTEC321808,CoCoCo_541146,EMOLS-id_2265675,ZINC22_1053968,PC-id_1245533,MCULE-7965047456	374.454	MWQFTFJBTZZBHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097600
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCCCC2)c1C(=O)N	GD-id_ZINC00809980,TIMTEC60856,PC-id_1090342,SPECS-id_AK-968/11841756,BAS-07534372,ZINC22_809980,EMOLS-id_1094402,ChEMBL-DNDi_CHEMBL5700509,CoCoCo_370495,MCULE-5767036609	374.454	ARXMHLOHINBPOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097601
CC1Cc2c(N1C(=O)C)ccc(c2)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_177211886,MCULE-3290879725	374.454	DFKBUJDUFJRMMH-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-097602
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCCc2occc2C1	EMOLS-id_177259894,MCULE-3587260814,ZINC22_585084023	374.454	WIRRUHBXQJLWCR-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-097603
CCOC(=O)c1c(NC(=O)c2ccn(C)c(=O)c2)sc2c1CCCCC2	ZINC22_95350871,PC-id_75415376,EMOLS-id_48215660,MCULE-8041978987	374.454	QBKNNKPUZYACFQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-097604
CCOC(=O)Oc1cc(/C=C/c2nc3c(s2)NCCCC3)ccc1OC	SCHEMBL8313769,PC-id_15069537	374.454	BRFYEWLJJOAQKD-CSKARUKUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097605
CC(=O)N1c2ccc(S(=O)(=O)N3CCCc4occc4C3)cc2C[C@H]1C	ZINC22_288301402	374.454	DFKBUJDUFJRMMH-CYBMUJFWSA-N	00000010100000100100000000001010000000000000000000000000	31-01-097606
CC(=O)N1c2ccc(S(=O)(=O)N3CCCc4occc4C3)cc2C[C@@H]1C	ZINC22_288301403	374.454	DFKBUJDUFJRMMH-ZDUSSCGKSA-N	00000010100000100100000000001010000000000000000000000000	31-01-097607
COc1ccc(cc1)OCC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_1087120,SPECS-id_AN-153/I212431,CoCoCo_359767,ZINC22_804963,MCULE-2440006821,EMOLS-id_1491105,BAS-07004990	374.454	WXDDFFODXBLOIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097608
COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_13062846,EMOLS-id_24161722,MCULE-4821990829,PC-id_25694873,CoCoCo_3250502	374.454	AJRMQPHROVMYRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097609
COc1ccccc1OCC(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_43812936,CoCoCo_3220603,MCULE-5039332332,PC-id_2550219	374.454	ANHZYNULNUTIJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097610
COc1cc(cc(c1O)OC)/C=N/NC(=O)c1cc2c(s1)CCCCC2	PC-id_135731452	374.454	KAHQQSKFZIVOPJ-RGVLZGJSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097611
COc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1OCC(=O)N	MCULE-2748883985,PC-id_71894902,ZINC22_48379024,EMOLS-id_44531553	374.454	CVAIODFULHOTGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097612
COc1cc(C(=O)C)ccc1OCC(=O)Nc1nc2c(s1)CCCCC2	MCULE-4611391719,ZINC22_12857404,CoCoCo_4546152,EMOLS-id_15268326,PC-id_17485375	374.454	YZMFYYHONZXDBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097613
COc1cc(NC(=O)c2cc3c(s2)CCCCC3)c(C(=O)N)cc1OC	EMOLS-id_44557339,ZINC22_63603466,MCULE-9558765326,PC-id_71882934	374.454	JVGGCIXRJQEWDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097614
COc1cc(OC)cc(c1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_11822489,CoCoCo_3306563,PC-id_16371412,MCULE-7547639984	374.454	QOFYIZLIEANCBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097615
COC(=O)c1c(NC(=O)CCn2ccccc2=O)sc2c1CCCCC2	PC-id_86998484	374.454	LESMHJIVZXFDCN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-097616
CSc1ccc(cc1)C(NC(=O)c1noc2c1CCCCC2)CC(=O)O	MCULE-6422535200,EMOLS-id_57628645,PC-id_120530274	374.454	PZWAWXVMQYWKNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097617
NC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_250810510	374.454	DFZZQOHHWGVUOO-DUBDDPSESA-N	00000011100000000100000000000110000000000000000000000000	31-01-097618
NC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_250810512	374.454	DFZZQOHHWGVUOO-TXFQPVFDSA-N	00000011100000000100000000000110000000000000000000000000	31-01-097619
NC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2	ZINC22_100087897,PC-id_20022611	374.454	DFZZQOHHWGVUOO-ZNIXKSQXSA-N	00000011100000000100000000000110000000000000000000000000	31-01-097620
NC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2	ZINC22_100087902,PC-id_20022613	374.454	DFZZQOHHWGVUOO-NUZBWSBOSA-N	00000011100000000100000000000110000000000000000000000000	31-01-097621
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OC(=O)CCSCc1cccc(c1)NC(=O)c1noc2c1CCCCC2	PC-id_120526356,EMOLS-id_57617641,MCULE-9673041282	374.454	CYJSJHSEYCJPLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097624
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s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OC)cc1	PC-id_34252974	374.454	LKXWKPDDJIOUGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097626
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(OC)ccc(OC)c1	PC-id_8624146	374.454	QOQAGQSQZOJSQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097627
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(OC)cc(OC)cc1	PC-id_9301195	374.454	YMZWYCSTOLPXGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097628
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(OC)c(OC)ccc1	PC-id_51549529	374.454	LEMLOXHLWWGBNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097629
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1ccc(OC)cc1	PC-id_26778457	374.454	RKEDRXJMWPPKLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097630
s1c2c(CCCCC2)c(c1NC(=O)c1c(OC)ccc(OC)c1)C(=O)N	PC-id_55358591	374.454	KAVAKHJMRPSTHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097631
s1c2c(CCCCC2)c(c1NC(=O)OC)C(=O)Nc1ccc(OC)cc1	PC-id_76318565	374.454	WRPQDAYSHWMGHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097632
s1c2CCCCCCc2cc1C(=O)NCC(O)c1ccc([N+](=O)[O-])cc1	PC-id_43001524	374.454	VPOGYHKXHAHTLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097633
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)c1n(ccc1)C	PC-id_41226488	374.454	ASSBAMPVCPVABB-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-097634
s1c2NCCCCc2nc1C=Cc1cc(OC(=O)OCC)c(OC)cc1	PC-id_53696964	374.454	BRFYEWLJJOAQKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097635
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3)c(c2c1CCCCC2)C(=O)N	PC-id_11881130	374.454	DFZZQOHHWGVUOO-QOBDMFJFSA-N	00000011100000000100000000000110000000000000000000000000	31-01-097636
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3)c(c2c1CCCCC2)C(=O)N	PC-id_11881132	374.454	DFZZQOHHWGVUOO-OAACRXHESA-N	00000011100000000100000000000110000000000000000000000000	31-01-097637
CN=C(NCc1nnc2n1CCCCC2)NCC(Oc1ccc(cc1)F)C	PC-id_111677712	374.456	QZRYWKXOMJZFHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097638
CN=C(NCc1nnc2n1CCCCC2)NCC(Oc1cccc(c1)F)C	PC-id_111680930	374.456	MJGNJNPSPUFFKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097639
CN=C(NCc1nnc2n1CCCCC2)NCC(Oc1ccccc1F)C	PC-id_111683800	374.456	KYAVZZCUVVYHSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097640
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1cc2c(cccc2)o1	MCULE-6327890386,ZINC22_82107091,PC-id_70731264,EMOLS-id_44432813	374.457	KCSWIOXPRZCODY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097641
s1c2CCCCCc2cc1C(=O)NCC(Cc1ccc(F)cc1)C(=O)N	PC-id_56081077	374.472	NPQLVOLZWUJIKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097701
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc2c(cco2)c1	EMOLS-id_44436357,ZINC22_82109739,MCULE-1845647779,PC-id_70741222	374.457	XAAYAAYQXIYOGW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097642
C1C(Cn2c(cc(n2)C(=O)NCCCSCc2ccccc2)C(=O)N1)O	PC-id_135099047	374.457	YSNQLWCEFRTAPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097643
c1(C(=O)OC)cc2n(CCCN(C(=O)c3ccc(C4CCCN4)s3)C2)n1	MCULE-6810765860,PC-id_50984589,EMOLS-id_32436870	374.457	UUFMRRJDVAFGGP-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-097644
Cc1ccc(cc1)SCCCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135097206	374.457	MUYKRSCRPIXKJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097645
Cc1ccc(cc1)SCCN(C)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135097144	374.457	PSBQCMJLAVJWNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097646
Cc1cc(C(=O)N2CCc3nc(C(=O)N4CCCCC4)sc3CC2)no1	EMOLS-id_44303988,ZINC22_96147010,PC-id_97442534	374.457	BEMAXTQITDRVFQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097647
Cc1noc([C@H]2CCCN(C(=O)CN3CCCc4sccc4C3=O)C2)n1	PC-id_97009006,ZINC22_84286548	374.457	DEXIQUOEKSTKPH-ZDUSSCGKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097648
Cc1noc([C@@H]2CCCN(C(=O)CN3CCCc4sccc4C3=O)C2)n1	ZINC22_84286547,PC-id_97009005	374.457	DEXIQUOEKSTKPH-CYBMUJFWSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097649
CC(C)c1cccc(C(=O)O)c1SCCn1cnc2c1NC=NCC2O	CHEMBL39565,PC-id_10715769,BindingDB_PC-id_10715769	374.457	DVADQLJWEGAWJS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-097650
CCCCOc1ccc(cc1)NC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625567	374.457	HZLOMHRMIZVPMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097651
CC(C(=O)NCc1ccc2c(c1)OCO2)Sc1nnc2n1CCCCC2	PC-id_4803991,EMOLS-id_3473604,MCULE-9577801151	374.457	BGQNWMFEIKLVDB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097652
C[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)OCO2	CoCoCo_3082271,ZINC22_12861708,PC-id_25559744	374.457	VKRKOJXOXSNQIL-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097653
C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)OCO2	CoCoCo_3082272,ZINC22_12861699,PC-id_25559737	374.457	VKRKOJXOXSNQIL-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097654
C[C@H](Sc1nnc2n1CCCCC2)C(=O)NCc1ccc2c(c1)OCO2	CoCoCo_3081802,ZINC22_6097685,PC-id_7877053	374.457	BGQNWMFEIKLVDB-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097655
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)NCc1ccc2c(c1)OCO2	CoCoCo_3081803,PC-id_7877054,ZINC22_6097687	374.457	BGQNWMFEIKLVDB-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097656
CCOC(=O)c1c(scc1C1CC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278110073	374.457	NYCLFVPNUUBUIA-UHFFFAOYSA-N	00100000100100000101100000000010000000000000000000000000	31-01-097657
CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946093	374.457	IHAHPTKMHDYBBM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097658
CC(=O)N1CCc2c1cc(cc2)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948523	374.457	OZHFOLSTMGHBOW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097659
CNC(=O)N1CCc2nc(C(=O)NCc3cccc(OC)c3)sc2CC1	EMOLS-id_44379326,ZINC22_96264747,PC-id_97524680	374.457	HLDMLYZPFWIIOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097660
s1c2CCCCCc2cc1C(=O)NCCNC(=O)Cc1ccc(F)cc1	PC-id_56240821	374.472	GCVOXWBFPGMKTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097702
CNC(=O)N1CCc2nc(C(=O)NCc3ccc(OC)cc3)sc2CC1	PC-id_97524684,EMOLS-id_44379334,ZINC22_96264751	374.457	BNRNZXNFHNSGKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097661
COc1cccc(c1)NC(=O)N1CCc2c(CC1)nc(s2)C(=O)N(C)C	PC-id_97442550	374.457	NTHZTJQRKZAYAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097662
COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccc([C@H]3CCCN3)s1)C2	PC-id_95148431,ZINC22_65531642	374.457	UUFMRRJDVAFGGP-CYBMUJFWSA-N	00000010100100000101100000000010000000000000000000000000	31-01-097663
COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccc([C@@H]3CCCN3)s1)C2	ZINC22_65531637,PC-id_95148428	374.457	UUFMRRJDVAFGGP-ZDUSSCGKSA-N	00000010100100000101100000000010000000000000000000000000	31-01-097664
COC(=O)c1ccc(C)c(NC(=O)CSc2nnc3n2CCCCC3)c1	EMOLS-id_43775484,PC-id_7876785,ZINC22_6097286,CoCoCo_3081536,MCULE-1842403817	374.457	RRMKVSITPMUMHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097665
O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946090	374.457	AUVYPVHARLRZNX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-097666
O=C1CCCN1Cc1ncn2c1CN(S(=O)(=O)c1ccccc1)CCC2	PC-id_97519464,EMOLS-id_44370308,ZINC22_96259380	374.457	NQUJRCGFAXDFBI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-097667
O=C1NCCCn2cc(cc12)S(=O)(=O)N1CCN(CC1)c1ccccc1	EMOLS-id_33086312,PC-id_53182798,MCULE-7932511917	374.457	BRJIIIZDAPBQHL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-097668
O=C(c1ccccc1NC(=O)c1cnc2n1CCCCC2)N=S(=O)(C)C	EMOLS-id_316478363	374.457	BNQCEEAAGMBDDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097669
O=C(CN1CCCc2sccc2C1=O)Nc1cc(C2CCOCC2)[nH]n1	MCULE-9711364110,PC-id_71926266,ZINC22_89885345,EMOLS-id_45656119	374.457	CLTWMGRVJGRPEM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097670
O=C(N1Cc2nnc(n2CC1C(=O)O)C)c1sc2c(c1)CCCCCC2	PC-id_121936393	374.457	KJEQOOSEJZPZME-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-097671
O=C(N1CCCc2c(C1)cnn2C)c1ccc2c(c1)CCN2S(=O)(=O)C	EMOLS-id_101668291	374.457	ZWRUJWGHPGIHHK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097672
O=C(N1CCCC(C1)c1onc(n1)C)CN1CCCc2c(C1=O)ccs2	EMOLS-id_44566560,MCULE-4636516255,PC-id_71878187	374.457	DEXIQUOEKSTKPH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-097673
O=C(N1CCN(CC1)C(=O)c1ccco1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110236585	374.457	FQCBEGUYPAMEHZ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-097674
O=C(N1CCOCC1CC(=O)c1cccs1)C1CCn2c(CC1)nnc2	EMOLS-id_278632410	374.457	WDYLYQLAFALJSK-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-097675
O=C(NC(c1ccc2c(c1)OCO2)C)CSc1nnc2n1CCCCC2	EMOLS-id_15264036,PC-id_17485744,MCULE-3385362945	374.457	VKRKOJXOXSNQIL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-097676
s1c2c(CCCCC2)c(c1NC(=O)c1nn(CCC)c(=O)cc1)C(=O)N	PC-id_60388361	374.457	DVOYPXAMKKYMGJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-097677
s1c2CCCCCCc2nc1NC(=O)c1c(N(C)C)ccc([N+](=O)[O-])c1	PC-id_56060768	374.457	XZIJBDYHBDNITB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097678
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_7877491	374.457	LSQQLKXRMZNTAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097679
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(cccc1)C(=O)OCC	PC-id_7877516	374.457	PTQALUGOBCEFFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097680
CC=[N+]=CC=C(C)c1nc2c(c(=NC)cc1C)[nH]c(=O)n2Cc1ccccc1	PC-id_137122327	374.459	CTBLVULLBNLMCQ-UHFFFAOYSA-O	00000000100000110111000000000010000000000000000000000000	31-01-097682
COc1cccnc1/N=C/c1cccc(c1)Nc1nc2=CCC=CC=c2s1	PC-id_143480192	374.459	HYASKWQRZIOYBJ-OEAKJJBVSA-N	00000000100000111111000000000010000000000000000000000000	31-01-097683
c12CN(CCCn1nc(CNC(=O)c1snnc1C)c2)C(=O)C1CCC1	EMOLS-id_44428939,MCULE-5745264835,ZINC22_82097602,PC-id_70720408	374.461	NZBYDQDBLZUUKT-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-097684
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1[nH]c2c(cccc2)n1	ZINC22_82108462,EMOLS-id_44434577,MCULE-7288216430,PC-id_70736284	374.461	HSLORXSUUWRGFH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-097685
c1(cn2c(scc2)n1)C(=O)N1CCCn2c(cc(n2)C(O)CN(C)C)C1	EMOLS-id_55668707,PC-id_91783068,MCULE-4755820114	374.461	RWDFAYLUBYJMJY-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-097686
Cc1cc(C)c(C#N)c(NCc2cc3CN(CCCn3n2)S(=O)(=O)C)n1	MCULE-1388314046,EMOLS-id_44436293,ZINC22_82109696,PC-id_70741057	374.461	VHTNOJSUNJDHFT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-097687
Cn1cnc(C(=O)N2CCc3nc(C(=O)N4CCCCC4)sc3CC2)n1	ZINC22_1565553255,EMOLS-id_313793077	374.461	QQWQXHWHYCDWMR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097688
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cn3ccsc3n1)C2	ZINC22_222399020,PC-id_100093745	374.461	RWDFAYLUBYJMJY-OAHLLOKOSA-N	00000000100000000101000100000010000000000000000000000000	31-01-097689
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cn3ccsc3n1)C2	ZINC22_222399067,PC-id_100093750	374.461	RWDFAYLUBYJMJY-HNNXBMFYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-097690
O=c1ccc(n[nH]1)N1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_100908105	374.461	UIWDWQQMHLYGIV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-097691
O=C(C1CCCCN1C(=O)c1cccs1)NC1CCn2c(CC1)nnn2	EMOLS-id_102166405	374.461	VEYUVGLSTKKVKJ-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-097692
O=C(Cn1cnnn1)N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	EMOLS-id_316834634,MCULE-3133004354,PC-id_78904512,ZINC22_97512916	374.461	HAFZDHWWALGHDN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097693
O=C(N1CCCC1)Cn1nnc(c1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_100904943	374.461	IBZLBNJIVBTRKF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-097694
s1cc(nc1NC)C(=O)N1Cc2n(nc(C(=O)N3CCCC3)c2)CCC1	PC-id_50949440	374.461	RJQBBVBSPKJLNS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-097695
s1c(nc(c1)C)Cc1c(c(c2-c1ccccc2)C(=O)c1ccc([18F])cc1)C	PC-id_73775945	374.461	IDYZZXPDDXPDLC-MIGPCILRSA-N	00000010100000110111000000000010000000000000000000000000	31-01-097696
s1c(NCc2nn3c(CN(C(=O)C4CCC4)CCC3)c2)nc(c1)C(=O)N	PC-id_70711191	374.461	HSXNXGQNRWAYJK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-097697
c1(NC(=O)c2ccccc2F)sc2c(CCCCC2)c1C(=O)NCCC	MCULE-2950110549,EMOLS-id_43358682,ChEMBL-DNDi_CHEMBL4488-1685,ZINC22_5042326,PC-id_2869369	374.472	HNNFAJJKZJLAHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097698
CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc2c(s1)CCCCCC2	ZINC22_8303498,MCULE-9167441291,EMOLS-id_30692748,PC-id_9426919	374.472	XVLNBXLXGSALFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097699
s1c2CCCCCc2cc1C(=O)Nc1cc(F)c(N2CCOCC2)cc1	PC-id_56499471	374.472	XEONRULSFFYFQR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-097700
s1c2CCCCCc2cc1C(=O)NCCNC(=O)Cc1cc(F)ccc1	PC-id_56262631	374.472	MWRKRLFEEPLQGG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097703
s1c2CCCCCCc2cc1C(=O)N(C(c1cc(F)ccc1)C(=O)N)C	PC-id_56398278	374.472	NSBDAJJHCQCZDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097704
s1c2CCCCCCc2cc1C(=O)NCCNC(=O)c1c(F)cccc1	PC-id_52719837	374.472	ZSPVILOLBPBVLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097705
s1c2CCCCCCc2cc1C(=O)N(CC(=O)Nc1cc(F)ccc1)C	PC-id_9150723	374.472	YBHQTZSRZOUTHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097706
CCc1c2-c(ccc(cc2)CC(=O)N(C)OCCOCCO)c(c1N)CC	PC-id_88263228,SCHEMBL8199876	374.474	FDIWLCRUTCMUJT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-097707
Fc1ccc(cc1)N1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825092	374.476	YZUXNHWHLSNKPP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-097708
O=C(N1CCN(CC1)c1ccccc1F)Nc1nc2c(s1)CCCCC2	PC-id_112825094	374.476	FLUQBXVWBYIUMA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-097709
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)C1(CCCC1)N1CCCC1	MCULE-4423582875,ZINC22_72419840,EMOLS-id_43095049,PC-id_56891329	374.477	GWLVYAILSRGXTD-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-097710
c12CN(CCCn1nc(CNC(=O)COC)c2)CCC(C)c1ccc(C)o1	EMOLS-id_44430399,PC-id_70724404,MCULE-1246620922	374.477	QQAAUXVLJKWCGP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-097711
C1CC(C1)C(c1nn2CCCN(Cc2c1)C(=O)CCCN1CCCC1=O)O	PC-id_91794672	374.477	CJENCDQZNUXMAE-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-097712
c1(NC(=O)c2ccc(cc2)S(=O)(=O)C)sc2c(CCCCC2)c1C#N	EMOLS-id_5571138,MCULE-8331579742,CoCoCo_5142630,ZINC22_4518029,PC-id_7267194	374.477	RINWDWHTNAJVDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097713
c1(NC(=O)c2cccc(c2)S(=O)(=O)C)sc2c(CCCCC2)c1C#N	PC-id_7267105,EMOLS-id_5570838,MCULE-7289015861,CoCoCo_5142436,ZINC22_4517892	374.477	IAWTWZSXKAYTKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097714
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CN(C(=O)Cc1ccc(cc1)c1ccccc1)Cc1nnc2n1CCCCC2	CoCoCo_4524792,PC-id_17439835	374.479	SZIMIYASWWFHRR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-097752
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c12CN(CCCn1nc(CN1CCCC(C(=O)N)C1)c2)C(=O)N1CCCC1	MCULE-1055625044,EMOLS-id_43168752,PC-id_56913131	374.48	FBPGFCQCAZXLCA-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-097758
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c1(CN2CCCn3nc(CNC(=O)COC)cc3C2)cn(nc1C)CCC	ZINC22_91746371,MCULE-4543831838,EMOLS-id_46072227,PC-id_72902743	374.48	KWWCRJXFIAKYEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097763
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CC(C)N(C)Cc1nnnn1CC(=O)N(C)Cc1n[nH]c2c1CCCCC2	PC-id_72938262,ZINC22_95530858,EMOLS-id_48449038,MCULE-7024076912	374.484	FACFRDAILXNQHZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097794
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O=C(C[C@H](c1ccsc1)n1cnnn1)Nc1nc2c(s1)CCCCC2	ZINC22_524735452	374.484	CWDNUMBFKYQBRY-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-097796
O=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1nc2c(s1)CCCCC2	ZINC22_524735453	374.484	CWDNUMBFKYQBRY-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-097797
O=C(Nc1cc(nn1C(C)(C)C)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102020266	374.484	NFXKSBABSZEEQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097798
s1c2CCCCCc2c(c1NC(=O)CSc1nc(N)cc(n1)N)C#N	PC-id_3290887	374.484	UWJXEDLPQQKIAH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-097799
s1c2CCCCCc2c(c1NC(=O)CSc1n(nnn1)C1CC1)C#N	PC-id_27096167	374.484	WSEPKXPVRIMZJV-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-097800
s1c2CCCCCc2c(c1NC(=O)CSc1n(nnn1)CC=C)C#N	PC-id_55997666	374.484	LUAOJSKBHRWCIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097801
c1(NC(=O)CCSc2ccc(cc2)F)sc2c(CCCCC2)c1C#N	EMOLS-id_5566444,CoCoCo_5139005,MCULE-2490954471,PC-id_7254901,ZINC22_4496842	374.495	MDSMGDGHJGYJHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097803
s1c2CCCCCc2c(c1NC(=O)CCSc1c(F)cccc1)C#N	PC-id_9034146	374.495	PNFOURBSLVZRNK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097804
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1ccc(F)cc1)C)C#N	PC-id_8740690	374.495	NXYHDVIAIPPTDZ-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097805
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1ccc(F)cc1)C)C#N	PC-id_8740691	374.495	NXYHDVIAIPPTDZ-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097806
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1c(F)cccc1)C)C#N	PC-id_8291097	374.495	ASOSPYJCMOKILN-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097807
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1c(F)cccc1)C)C#N	PC-id_8291098	374.495	ASOSPYJCMOKILN-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097808
s1c2CCCCCc2c(c1NC(=O)C(Sc1ccc(F)cc1)C)C#N	PC-id_24497577	374.495	NXYHDVIAIPPTDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097809
s1c2CCCCCc2c(c1NC(=O)C(Sc1c(F)cccc1)C)C#N	PC-id_60263407	374.495	ASOSPYJCMOKILN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097810
c1(C(=O)NCCc2ccc(c(OC)c2)OC)c2CCCCCc2sc1N	EMOLS-id_4052129,CoCoCo_6815183,ZINC22_17076665,TIMTEC517721,MCULE-2848497831,PC-id_17285035	374.497	WBEMMMJUZXZGEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-097811
c1(NC(=O)c2ccco2)sc2c(CCCCCCCCCC2)c1C(=O)N	MCULE-8223820743,CoCoCo_5833473,EMOLS-id_4052115,SPECS-id_AK-968/40725659,TIMTEC492425,ZINC22_685938,PC-id_1021012	374.497	UYZPSWIQMSOUGE-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-097812
c1(NC(=O)CCc2ccc(c(OC)c2)OCC)sc2c(CCCCC2)n1	MCULE-9094694486,EMOLS-id_334604924	374.497	YMGXUAYZQSUCTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097813
N#Cc1c(NC(=O)CC2(CC(=O)O)CCCCC2)sc2c1CCCCC2	ZINC22_24151200,PC-id_31617196,EMOLS-id_36993114,MCULE-7041060550	374.497	WAGIPMPNWJLQAJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-097814
N#Cc1c(NC(=O)CC2(C(=O)O)CCCCCC2)sc2c1CCCCC2	EMOLS-id_11833629,ZINC22_10023382,CoCoCo_4359613,MCULE-7516645843,PC-id_16376682	374.497	CQGVVPRUJWHFON-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-097815
O=S(=O)(c1ccccc1)N1Cc2cccn2C[C@@H](CCOCC2CC2)C1	ZINC22_585095299	374.497	OLMZSNYZPNYCSQ-GOSISDBHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-097816
O=S(=O)(c1ccccc1)N1Cc2cccn2C[C@H](CCOCC2CC2)C1	ZINC22_585095300	374.497	OLMZSNYZPNYCSQ-SFHVURJKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-097817
O=S(=O)(N1CC(CCOCC2CC2)Cn2cccc2C1)c1ccccc1	EMOLS-id_313839140	374.497	OLMZSNYZPNYCSQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-097818
s1c2CCCCCc2cc1C(=O)OC(C(=O)NC1(CCCCC1)C#N)C	PC-id_16509444	374.497	CELQXEVPSAYMDP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-097819
s1c2CCCCCc2cc1C(=O)OCC(=O)N(C1(CCCCC1)C#N)C	PC-id_7650127	374.497	XQYQZZPDYXGUEN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-097820
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)NC1(CCCCC1)C#N)C	PC-id_7650001	374.497	CELQXEVPSAYMDP-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-097821
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)NC1(CCCCC1)C#N)C	PC-id_7650004	374.497	CELQXEVPSAYMDP-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-097822
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CC1CCCC1)C)C#N	PC-id_55417358	374.497	RNZWNJJAHNMMPU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-097823
s1c2CCCCCc2c(c1NC(=O)COC(=O)CC1CCCCC1)C#N	PC-id_4020071	374.497	GSXKYVRIOICWEK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-097824
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCC1CCCC1)C#N	PC-id_5202635	374.497	YIOWKVGPPVBQHV-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-097825
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC1(CCCCC1)C#N	PC-id_7618561	374.497	OWDJLDFGZGAOCV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-097826
s1c2c(CCCCCC2)c(c1NC(=O)CC1(CCCCC1)C(=O)O)C#N	PC-id_60531389	374.497	XLJSGLIAVQFBGG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-097827
s1c2CCCCCCc2nc1NC(=O)c1c(OCCOCC)cccc1	PC-id_56241823	374.497	LVFRVACQDOJKSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097828
s1c2CCCCCCc2nc1NC(=O)CCc1c(OC)c(OC)ccc1	PC-id_56021208	374.497	SWVVBOSAVHNQBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097829
s1c2CCCCCCc2nc1NC(=O)C(OCc1cc(OC)ccc1)C	PC-id_56022757	374.497	GUDHQBDLNOFBFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097830
c1(sc2c(CCCCC2)n1)NC(=O)C(=Cc1ccccc1)c1ccccc1	MCULE-4120173483	374.499	FIOJCJCFXCMFOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097831
O=C(Nc1nc2CCCCCc2s1)/C(=Cc1ccccc1)/c1ccccc1	EMOLS-id_334603382	374.499	FIOJCJCFXCMFOR-MNDPQUGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097832
s1c2CCCCCc2cc1C(=O)Nc1cc(ccc1)/C=C/c1ncccc1	PC-id_18292476	374.499	WBKLDCQXWKGJGA-OUKQBFOZSA-N	00000000100000111100000000000010000000000000000000000000	31-01-097833
s1c2CCCCCc2cc1C(=O)Nc1cc(ccc1)C=Cc1ncccc1	PC-id_73436800	374.499	WBKLDCQXWKGJGA-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-097834
c12CN(CCCn1nc(CNC(=O)c1ccc(C(=O)C)s1)c2)CC(C)C	ZINC22_82107080,PC-id_70731180,MCULE-4415395920,EMOLS-id_44432795	374.5	DEWWGYIZOIJPQL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-097835
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccccc1SC	MCULE-1860611461,PC-id_70731562,EMOLS-id_44432931,ZINC22_82107163	374.5	DYDFBADWJPNVRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097836
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(cc1)SC	MCULE-4686688525,ZINC22_82097147,EMOLS-id_44428425,PC-id_70718905	374.5	CBMDCPKAYLLVQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097837
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cccc(c1)SC	PC-id_70727473,ZINC22_82100104,EMOLS-id_44431453,MCULE-6660489843	374.5	DTCTUCPWRCQBME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097838
c1(cc2c(CCCCC2)s1)C(=O)N1CCCC(Cn2cc(nn2)CO)C1	MCULE-6559440292,EMOLS-id_23837434,PC-id_45250031	374.5	UIZQNGOZSUSBOC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097839
Cc1ccc(cc1)S(=O)(=O)N1CC(C1)NCc1n[nH]c2CCCCCc12	EMOLS-id_232840992,MCULE-8100311980,ZINC22_825176920	374.5	RSHVQFYIJILJNS-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-097840
Cc1ccc(cc1)S(=O)(=O)N1CCCn2cnc(CN3CCCC3)c2C1	EMOLS-id_44370214,PC-id_97519418,ZINC22_96259334	374.5	VQWRWDAXBZHFKJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-097841
CC1CCN(CC1)Cc1csc(n1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100953066	374.5	KFKSAEAFMMSTPY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097842
O=C(C(N1Cc2conc2CCC1=O)c1ccccc1)NCc1ccccc1	PC-id_101727118	375.42	RIDYHFWHJKQJRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098284
Cc1nn(C)c(C)c1CCC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_78345548,EMOLS-id_48209444,MCULE-2721513763,PC-id_75413593	374.5	JPKMMCFIYFHKSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097843
Cc1onc(n1)CN1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_98721954	374.5	ZEFVGQKJIRYWHW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097844
CCc1onc(n1)CN1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98920422	374.5	SOUXAWYBKZAIGO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097845
CCc1scc(n1)CN1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100100022	374.5	XMRZTBKWZPAKEW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097846
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C(=O)N)CC1	PC-id_25514602,CoCoCo_4224730,ZINC22_12791444,CoCoCo_4224731	374.5	VYEWWHDSOYMZJR-GFCCVEGCSA-N	00000000100010000100000000000010000000000000000000000000	31-01-097847
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C(=O)N)CC1	PC-id_25514606,CoCoCo_4224729,CoCoCo_4224728,ZINC22_12791447	374.5	VYEWWHDSOYMZJR-LBPRGKRZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-097848
CCN1CCCN(CC1=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_99998611	374.5	MYGPSUYHOISDLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-097849
CCOc1ccc(CN(C)C(=O)CSc2nnc3n2CCCCC3)cc1	CoCoCo_3082136,ZINC22_6098219,EMOLS-id_43775522,PC-id_7877442,MCULE-3883954276	374.5	ZCKZYXGEYOBLCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097850
CC(=O)N1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	PC-id_26011218,ZINC22_14250537,CoCoCo_4223966	374.5	FBBCAFRZYDITNG-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097851
CC(=O)N1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	PC-id_26011220,CoCoCo_4223967,ZINC22_14250539	374.5	FBBCAFRZYDITNG-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097852
COc1ccccc1NC(=O)C(C(C)C)Sc1nnc2n1CCCCC2	MCULE-8784610282,EMOLS-id_44523594,PC-id_71898920	374.5	FEBRAQXXDSJTBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097853
COc1ccccc1NC(=O)[C@@H](Sc1nnc2n1CCCCC2)C(C)C	PC-id_95930890,ZINC22_73814509	374.5	FEBRAQXXDSJTBX-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097854
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CSc1ccccc1C(=O)N1CCCn2nc(cc2C1)C(O)CN(C)C	EMOLS-id_50539147,PC-id_90650968,MCULE-5668898889	374.5	WSZPFLHPVPPGPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097856
CSc1ccccc1C(=O)N1CCCn2nc([C@@H](O)CN(C)C)cc2C1	ZINC22_221156995,PC-id_100065569	374.5	WSZPFLHPVPPGPT-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097857
CSc1ccccc1C(=O)N1CCCn2nc([C@H](O)CN(C)C)cc2C1	ZINC22_221157055,PC-id_100065570	374.5	WSZPFLHPVPPGPT-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-097858
N#Cc1c(NC(=O)C(N2CCC(CC2)C(=O)N)C)sc2c1CCCCC2	EMOLS-id_16764750,MCULE-9447579827,PC-id_45355093	374.5	VYEWWHDSOYMZJR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-097859
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N#Cc1c(NC(=O)CN2CCN(C(=O)C2(C)C)C)sc2c1CCCCC2	EMOLS-id_111859872	374.5	ARHRWPIKKWWXQU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097861
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O=C(c1cc2c(s1)CCCCC2)Nc1ccn(n1)CCN1CCOCC1	EMOLS-id_98814217	374.5	DUYMAVOAMKYGEK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-097865
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CCNC(=NCC1(CCC1)CC(C)C)NCCc1nnc2n1CCCCC2	PC-id_109683525	374.567	IRFPNQGARIFQJY-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-098051
CCNC(=NCC1(CC)CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_109794562	374.567	HZDLRYZHKCEEIG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098052
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CCCC1)CC(C)C	PC-id_109592015	374.567	MKIXOLUOWVVBDD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098053
CCNC(=NCc1nnc2n1CCCCC2)NC(CCC1CCCCC1)C	PC-id_109482627	374.567	NTOBNFQQIBWJKZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098054
CCNC(=NCCC1CCCC(C1)C)NCCc1nnc2n1CCCCC2	PC-id_111558001	374.567	DVPFGEMTAGFLHD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098055
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(C1)C(CC)CC	PC-id_111744029	374.567	YKNREVANIKWEFT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098056
CCNC(=NCCc1nnc2n1CCCCC2)N1CCCC(C1)(C)CCC	PC-id_109490778	374.567	JCHXRKATDDMKIS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098057
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCC(CC1)C(C)C	PC-id_109841588	374.567	XKFDECOVJJTPRT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098058
CCNC(=NCCc1nnc2n1CCCCC2)N(CC1CCC(CC1)C)C	PC-id_109515775	374.567	MKOPRIXHFSXDBG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098059
CCNC(=NCCCC1CCCCC1)NCCc1nnc2n1CCCCC2	PC-id_111947555	374.567	APDKCOAXAFKLGB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098060
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)CC(C)C	PC-id_111734711	374.567	RHVMKYIZEFWASU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098061
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCC(CC1)CC	PC-id_112076882	374.567	SJXCEHOLBOEQCZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098062
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCC(CC1)(C)C	PC-id_112081747	374.567	AOMASLTTWPHGMP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098063
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCC(C1)CC	PC-id_112082085	374.567	URMQMMSNJYPMQG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098064
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCC1CCCC1	PC-id_111946743	374.567	VHJUOVLUQNPXAL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098065
CCNC(=NCCCCC1CCCC1)NCCc1nnc2n1CCCCC2	PC-id_111608734	374.567	LXWVBVPBGBJYHE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098066
CN=C(NC1CCC(CC1)C(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109841168	374.567	WSRNAAKMASDARO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098067
CN=C(NCC1(CCC1)CC(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109683119	374.567	YXPDKDLYTPSIEP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-098068
CN=C(NCC1(CCCC1)CC(C)C)NCCc1nnc2n1CCCCC2	PC-id_109591923	374.567	XTJPNCZHKRVUQI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098069
CN=C(NC(CCC1CCCCC1)C)NCCc1nnc2n1CCCCC2	PC-id_109482551	374.567	NAQQZTVAMXTQAH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098070
CN=C(NCCCC1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111947383	374.567	FBSGHRUZHDZCHZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098071
CN=C(NCCCCC1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111609024	374.567	RHEAMPDKUKHETO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098072
s1c2CCCCCc2c(c1NC(=O)CCCCCCCCCCC)C#N	PC-id_3635785	374.583	VNKLCTMQRKGEMO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-098073
s1c2CCCCCCc2c(c1NC(=O)CCCCCCCCCC)C#N	PC-id_4277920	374.583	KLVLBRIRNOLFLJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-098074
s1c(C(=O)N2CC(CN3CCC(CC3)C)CCC2)cc2c1CCCCC2	PC-id_56245829	374.583	FPAJKKWYBSPZJA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-098075
Cc1c(c(c2-c1ccccc2)CCCc1ccccc1)[Si](C)(C)C(C)(C)C	PC-id_134983226	374.634	DECPFDYTOKADFD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-098076
CCC(c1sc(c2c1SCCSCCS2)C(CC)(C)C)(C)C	SCHEMBL21029518,PC-id_138660095	374.691	ZZROYIDBRCSISH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098077
Brc1c2CCNCCc2sc1Cc1c(Cl)cccc1F	SCHEMBL2995559,PC-id_11624973	374.699	DENKBAIIKWLQEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098078
c1(C(=O)N2CCCn3c(cc(n3)C(=O)O)C2)nn2c(ncc(C)c2)c1Cl	ZINC22_65434229,PC-id_50971494,MCULE-6379804003,EMOLS-id_32412330	374.782	ZDPXWNDFKRJYMD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-098079
C1CC1(CNC(=O)c1nn2CC(CNC(=O)c2c1)O)c1ccc(cc1)Cl	PC-id_135111142	374.821	NBIMXIWTTBFUHX-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-098080
c1(C(=O)NC2CC2)cc2n(CCCN(C2)C(=O)c2cc(Cl)ccc2O)n1	ZINC22_65372397,MCULE-7308564032,EMOLS-id_232792561,PC-id_50950303	374.821	PSGWICRJROOHJS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-098081
c1(C(=O)N(Cc2ccc(cc2)Cl)C2CC2)cc2n(CC(CNC2=O)O)n1	MCULE-6752327441,EMOLS-id_55667589,PC-id_91837827	374.821	OFGCLGKOWHCGPG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-098082
O=C1NC[C@H](O)Cn2nc(C(=O)N(Cc3ccc(Cl)cc3)C3CC3)cc12	ZINC22_244742300	374.821	OFGCLGKOWHCGPG-AWEZNQCLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-098083
O=C1NC[C@@H](O)Cn2nc(C(=O)N(Cc3ccc(Cl)cc3)C3CC3)cc12	ZINC22_244742301	374.821	OFGCLGKOWHCGPG-CQSZACIVSA-N	00100000100000110101000000000010000000000000000000000000	31-01-098084
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)c3[nH]cc(Cl)c3)C2)n1	EMOLS-id_55656834,MCULE-4519994513,PC-id_91778986	374.825	NCFKAFUIVVDQMG-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-098085
Clc1cccc(n1)C(=O)N1CCCn2nnc(C(=O)NC3CCC3)c2C1	EMOLS-id_313849133,ZINC22_2055844892	374.825	MEDISDIBJCMXGW-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-098086
Clc1ncn(c2c(OC)cc(Nc3nc4n(n3)CCCCC4O)cc2)c1	PC-id_70876559,SCHEMBL13285418	374.825	DYAMSXFZLRZHPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-098087
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(Cl)c[nH]1)C2	PC-id_100059255,ZINC22_220471905	374.825	NCFKAFUIVVDQMG-INIZCTEOSA-N	00000000110000000101000000000010000000000000000000000000	31-01-098088
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(Cl)c[nH]1)C2	PC-id_100059256,ZINC22_220471976	374.825	NCFKAFUIVVDQMG-MRXNPFEDSA-N	00000000110000000101000000000010000000000000000000000000	31-01-098089
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)c1nnsc1Cl	EMOLS-id_316534169	374.848	TXYZGOZJVSPETR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-098090
Clc1c(C=CC(=O)Nc2sc3CCCCCc3c2C#N)c(F)ccc1	PC-id_4641241	374.86	JAVUPQFDHHIWJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098091
Clc1c(/C=C/C(=O)Nc2sc3CCCCCc3c2C#N)c(F)ccc1	PC-id_6173108	374.86	JAVUPQFDHHIWJV-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098092
c1(C(=O)N2CCC(CC2)(O)c2ccc(cc2)Cl)c2CCCCCc2on1	PC-id_45495616,STOCK6S-93848,EMOLS-id_29389779,MCULE-2287749208,ZINC22_35686480,CoCoCo_6868097	374.861	UQMKAJYSDKXUMX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-098093
Clc1cccc(c1)C1OCC(N(C1)C(=O)c1noc2c1CCCCC2)C	EMOLS-id_100156014	374.861	IUCVKPCOQFLQQT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-098094
O=C(c1noc2c1CCCCC2)N1CCC(CC1)Oc1ccccc1Cl	EMOLS-id_100986307	374.861	JHTXACGWEUKEGV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-098095
c12CN(CCCn1nc(CNC(=O)CCc1cccc(Cl)c1)c2)C(=O)C	PC-id_70724334,MCULE-6711512043,ZINC22_82098743,EMOLS-id_44430369	374.865	XIIGGDRXQDDGBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098096
c12CN(CCCn1nc(CO)c2)C(=O)c1ccc(c(Cl)c1)N1CCCC1	MCULE-3371895156,EMOLS-id_55644146,PC-id_91774611	374.865	MSQQQMBOAXMNIF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-098097
c1(CN2CCCn3c(cc(n3)C(CO)O)C2)c(C)c2c(c(ccc2)Cl)[nH]1	PC-id_91796367,EMOLS-id_55707584,MCULE-6298912726	374.865	ZVILQBITPCYLTR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-098098
CCCCNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccc(cc1)Cl	EMOLS-id_32846298,PC-id_50797900,MCULE-7384347274	374.865	CBNZTNVBUJVVBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098099
CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cccc(Cl)c1C)CCC2	EMOLS-id_313779429,ZINC22_2055772190	374.865	FXRULXMYWNUCFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098100
Clc1ccc(cc1)CC1(CCOC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316734176	374.865	LKFJCGFXZFNQOY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-098101
Clc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)OC1CCCC1	EMOLS-id_316717811	374.865	RWBSVGKRFMDZIU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-098102
Clc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(CC)C)cc1	PC-id_50797863	374.865	HUZUULXAIFGLGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098103
Clc1ccc(C(=O)CCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55536096	374.865	BHYZDIDYBLJSJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098104
OC[C@@H](c1nn2c(c1)CN(CCC2)Cc1[nH]c2c(c1C)cccc2Cl)O	PC-id_99996905	374.865	ZVILQBITPCYLTR-SFHVURJKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-098105
OC[C@H](c1nn2c(c1)CN(CCC2)Cc1[nH]c2c(c1C)cccc2Cl)O	PC-id_99996909	374.865	ZVILQBITPCYLTR-GOSISDBHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-098106
O=C(N1CCCC1c1ccccc1Cl)Cn1nc2n(c1=O)CCCCC2	PC-id_87028066	374.865	ADJDYZPLMHDUQL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-098107
Clc1cc(c(s1)S(=O)(=O)N)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845234	374.866	FGKWUOIRYZWICM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-098108
Clc1ccc(cc1)C1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102167197	374.868	UXJYKCZMNMWZAT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-098109
Clc1cccc(c1)C1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102169015	374.868	KLWJOZPQMIDFIW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-098110
Clc1ccccc1C(=O)N1CCC(CC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102028238	374.868	BUAFXSDMIOGQKS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-098111
Clc1ncc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_51317225	374.868	DQBCQHUFBQHRTI-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-098112
O=C(c1ccnc(Cl)c1)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_32904569,MCULE-2818080647,CoCoCo_4639088,PC-id_40140951	374.868	KNAWGXVXRBYDKI-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-098113
O=C(NC1(CCCC1)c1cccc(c1)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102165196	374.868	VVQXLZCEVGJYKZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-098114
O=C(NC1(CCCC1)c1ccc(cc1)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102175583	374.868	WITVUNGRRYUJNS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-098115
O=C(NC1CCn2c(CC1)nnn2)NC1CCC(C1)c1cccc(c1)Cl	EMOLS-id_102158680	374.868	FWZJTOKGOFJSAA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-098116
O=C(NC1CCn2c(CC1)nnn2)NC1CCC(C1)c1ccc(cc1)Cl	EMOLS-id_102158854	374.868	KOUVVTJRVFCBPF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-098117
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCCCCC2)c1C#N	SPECS-id_AK-968/41926245,MCULE-9897645948,EMOLS-id_4052423,TIMTEC127508,PC-id_1001230,ZINC22_656841,CoCoCo_6800910	374.884	DNYGPBQONNLTIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098118
c1(NC(=O)COc2ccc(cc2C)Cl)sc2c(CCCCC2)c1C#N	CoCoCo_1740520,SPECS-id_AK-968/12162107,EMOLS-id_1095372,STOCK1S-59444,PC-id_3752244,MCULE-7431347659,ZINC22_4627668	374.884	WEHQTUUJYLREDL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098119
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCCCCC2)c1C#N	CoCoCo_5816925,PC-id_3620972,ZINC22_4611999,MCULE-5852285491,SPECS-id_AK-968/12116203,TIMTEC488905,EMOLS-id_4052431	374.884	UVAKOLQUGUVRCD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098120
Clc1ccc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_4458670	374.884	MTYPMTREKGIXGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098121
Clc1cc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)ccc1	PC-id_3653944	374.884	FWEWGUDOMCJOOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098122
Clc1cc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)ccc1	PC-id_5886694	374.884	FWEWGUDOMCJOOR-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098123
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cccc1	PC-id_3707826	374.884	JNLZSVIWMPPFDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098124
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cccc1	PC-id_5900506	374.884	JNLZSVIWMPPFDV-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098125
Clc1cc(OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)ccc1	PC-id_4101446	374.884	MBXVBOFUCJTPCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098126
NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCCC2	PC-id_6115480,ZINC22_5671605	374.884	MTYPMTREKGIXGD-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098127
C1CCc2nnc(n2CC1)/C(=C(/CSCc1ccc(cc1)Cl)O)/C#N	PC-id_135830548	374.888	XLBIUWPYHKTBJU-NXVVXOECSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098128
Clc1ccc(CSCC(=O)C(=C2N3CCCCCC3=NN2)C#N)cc1	PC-id_78722332	374.888	QDAGJYJNMFSKDX-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-098129
Clc1ccc(CSCC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)cc1	PC-id_8552501	374.888	QDAGJYJNMFSKDX-OBGWFSINSA-N	00000011000000110111000000000010000000000000000000000000	31-01-098130
Clc1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C3CC3)C)CC2)ccc1	PC-id_42332254	374.888	LPHQCLKRAQNSJW-CYBMUJFWSA-O	00100000100000110101000000000010000000000000000000000000	31-01-098131
Clc1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C3CC3)C)CC2)ccc1	PC-id_42332258	374.888	LPHQCLKRAQNSJW-ZDUSSCGKSA-O	00100000100000110101000000000010000000000000000000000000	31-01-098132
Clc1cc(C[NH+]2CCn3c(nnc3C(NC(=O)C3CC3)C)CC2)ccc1	PC-id_74843908	374.888	LPHQCLKRAQNSJW-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-098133
Clc1c(sc2c1cccc2)C(=O)NCCc1n2CCCCCc2nn1	PC-id_51307464	374.888	CSLNIGRUSGYVPI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-098134
CCC(CC1CCN(CC1)C(=O)c1cc2=CC=C=CC(=c2[nH]1)Cl)(CC)O	PC-id_89028309,SCHEMBL13175628	374.904	IGGOKTHZVWUPBG-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-098135
CCC(CC)(CC1CCN(CC1)C(=O)c1cc2-c(c(cccc2)Cl)n1)O	PC-id_136450138	374.904	CKSGEUGTXJOITP-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-098136
Clc1ccc(Cn2c3C(CCCCc3nc2C(C)(C)C)CC(=O)O)cc1	SCHEMBL2516788,PC-id_58460190	374.904	YQIWIGVYSLAMSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098137
c12CN(CCC)CCCn1nc(CNC(=O)CCc1ccccc1Cl)c2	EMOLS-id_44451763,PC-id_70785674,MCULE-8653068256,ZINC22_82166156	374.908	ZMLFNUSIEKOWRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098138
c12CN(CCCn1nc(CNC(=O)c1cccc(C)c1Cl)c2)CC(C)C	PC-id_70780403,EMOLS-id_44449925,MCULE-1539925795,ZINC22_82157497	374.908	OPFCHOLFUKRAFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098139
c12CN(CCCn1nc(CNC(=O)c1cc(Cl)ccc1C)c2)CC(C)C	PC-id_70753189,ZINC22_82121655,EMOLS-id_44440527,MCULE-1901517746	374.908	OETQPOPFJFAZCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098140
c12CN(CCCn1nc(CNC(=O)Cc1ccccc1Cl)c2)CC(C)C	PC-id_70766837,ZINC22_82137481,MCULE-3878447237,EMOLS-id_44445195	374.908	PBFCRUSSFSUBTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098141
c12CN(CCCn1nc(CNC(=O)Cc1cccc(Cl)c1)c2)CC(C)C	ZINC22_82139154,PC-id_70771929,EMOLS-id_44446947,MCULE-2707357768	374.908	IABDOULIHBLYPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098142
Cc1cccc(Cl)c1NC(=O)[C@@H](C)N1Cc2cnn(C)c2CC(C)(C)C1	ZINC22_879011634	374.908	UXTWJQQSJHYAAB-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098143
CCC(c1ccc(cc1)Cl)(CNC(=O)C1CCn2c(CC1)nnc2)CC	EMOLS-id_319559884	374.908	KPWGCDOLPAVXPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098144
CC(C)CCNC(=O)c1cnc2n1CCN(CC2)Cc1ccccc1Cl	PC-id_134807159	374.908	MJXJWHYTHHCODR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098145
CC(N1Cc2cnn(c2CC(C1)(C)C)C)C(=O)Nc1c(C)cccc1Cl	EMOLS-id_316937069,MCULE-9745573621	374.908	UXTWJQQSJHYAAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098146
Clc1ccc(C2CCN(CC2)CCCc2n3CCOCCc3nn2)cc1	PC-id_59939375,SCHEMBL7961180	374.908	PSFQWDDATYGQEX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-098147
Clc1ccc(cc1)CC1(CCCOC1)NCc1nnc2n1CCCCC2	EMOLS-id_318037673	374.908	FRPCSIRKJZJMKR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-098148
Clc1cc(C[NH2+]CC(=O)Nc2sc3CCCCCc3c2C#N)ccc1	PC-id_8117901	374.908	SCVOLQFXXIRLMA-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-098149
Clc1sc(CN2CCCn3nc(cc3C2)CNS(=O)(=O)C)cc1	PC-id_70716053	374.909	SCEMFWPAQLLNSC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-098150
CCNC(=NCc1ccc(cc1)Cl)NCCc1nnc2n1CCCCC2	PC-id_111131214	374.911	SPBHCPXWRQMELL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098151
CCNC(=NCc1ccccc1Cl)NCCc1nnc2n1CCCCC2	PC-id_111174462	374.911	MZAKVXDFZASFSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098152
CCNC(=NCc1cccc(c1)Cl)NCCc1nnc2n1CCCCC2	PC-id_111176254	374.911	GFMIKFVFHMIRGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098153
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)Cl)C	PC-id_111293913	374.911	RPPXDABPJYJARY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098154
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccccc1Cl)C	PC-id_111294791	374.911	POXNNMLTKJVAHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098155
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1cccc(c1)Cl)C	PC-id_111305627	374.911	OOUVYWXWYVRBLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098156
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccc(cc1)Cl	PC-id_111196774	374.911	ZHVYCGBCARSERV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098157
CCNC(=NCc1nnc2n1CCCCC2)NCCc1cccc(c1)Cl	PC-id_111357838	374.911	PJTFQNWWBWRXEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098158
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccccc1Cl	PC-id_111882585	374.911	DUFZLOSOJDRZQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098159
CN=C(NCc1ccc(cc1)Cl)NCCCc1nnc2n1CCCCC2	PC-id_111131592	374.911	ZESBECOKWHLCTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098160
CN=C(NCc1ccccc1Cl)NCCCc1nnc2n1CCCCC2	PC-id_111174837	374.911	WCTQEWJCDDEMMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098161
CN=C(NCc1cccc(c1)Cl)NCCCc1nnc2n1CCCCC2	PC-id_111176546	374.911	VJCKRKQNMZHXBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098162
CN=C(NCCc1cccc(c1)Cl)NCCc1nnc2n1CCCCC2	PC-id_111357910	374.911	MZNWLUJKMXSMNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098163
CN=C(NCCc1ccccc1Cl)NCCc1nnc2n1CCCCC2	PC-id_111882645	374.911	BWZYGLMEQRDRAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098164
CN=C(NCCc1nnc2n1CCCCC2)NCCc1ccc(cc1)Cl	PC-id_111196230	374.911	YUVSRRPBHHWFCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098165
Clc1cc(N2CCN(CC2)C(=O)c2sc3c(CCCCC3)c2)ccc1	PC-id_18227564	374.927	AFOGIPYGAORQDZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-098166
Clc1c(N2CCN(CC2)C(=O)c2sc3c(CCCCC3)c2)cccc1	PC-id_8127944	374.927	RHIOGPPDUOCKCV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-098167
C=CNc1cc(sc1Cl)S(=O)(=O)N1CCCCc2c1ccs2	PC-id_143272188	374.929	GJIHEDDCSDTMOF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-098168
C1COCCN2C1=NN=C2CNC(=O)NC3CC(C3)C4=CC=CC=C4Cl	PC-id_154787370	375.146	SFXCMLQCHVHXEK-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-098169
C=CCN1C(c2ccccc2)=CS/C1=C(C#N)c1nnc2n1CCCCC2	ChEMBL-DNDi_CHEMBL1616879,PC-id_2314959,PD113323,CoCoCo_3729271	375.15	QIVFLPGXEQESOH-HEHNFIMWSA-N	00000011100000110101100000000010000000000000000000000000	31-01-098170
Ic1c(=O)c2onc(c2ccc1)/C=C/c1ccccc1	PC-id_14415383	375.161	AGIAKMXJMJPLPS-MDZDMXLPSA-N	00000000100000110111000000000010000000000000000000000000	31-01-098171
Ic1c(=O)c2onc(c2ccc1)C=Cc1ccccc1	PC-id_72731143	375.161	AGIAKMXJMJPLPS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-098172
[B](CC)CCN1C2=C(CCC(CCC2)CN3C(=O)CC(C3=O)SC)N=N1	PC-id_152816875	375.203	HTGAWJTUBSPFHL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098173
CN1c2cc(nn2CCC(C1=O)I)CC1CCOC1	SCHEMBL20262317,PC-id_134607438	375.205	YKTHQNJNDBOYDV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098174
Brc1ccc(c(c1)S(=O)(=O)N1CCCn2c(C1)cnn2)F	EMOLS-id_316709374	375.217	NQHUFJGAWUTVMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098175
Fc1ccc(c(c1)Br)S(=O)(=O)N1CCCn2c(C1)cnn2	MCULE-2409132424,EMOLS-id_320086269	375.217	LXNHEEGYKCCPHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098176
Brc1ccc2n(c1)nc(n2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845870	375.223	GWSZNCAEUXRNAV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-098177
Brc1cnc2n(c1)ncc2C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674760	375.223	PSODCFSBSJNTST-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-098178
Cn1cnc2CCN(CCc12)C(=O)c1cc2ncc(Br)cn2n1	SCHEMBL15282764,BindingDB_PC-id_71748082,BindingDB-id_300541,PC-id_71748082	375.223	HTTCOCDHRFMKBF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-098179
CC(C)OC(=O)C1=CN(CC(C2=C1NN=C2)(C)C)C(=O)N3CCN(CC3)C	PC-id_149341630	375.227	YEHFZNLTCHXHIM-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-098180
BrC(c1sc2c(CCCCC2)c1)c1c(F)cc(F)cc1F	PC-id_63438935	375.247	NMBUEHVFFPVJFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098181
Fc1cc(F)c(cc1C(c1cc2c(s1)CCCCC2)Br)F	PC-id_103304216	375.247	CWSZFYAUNGKUCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098182
BrCCCn1c2c(C(=O)CCN(C2=O)Cc2ccccc2)cc1	PC-id_20085253,SCHEMBL6991433	375.26	OYCDTNYRFPUPHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098183
Brc1ccc(C=CC(=O)NCc2n3CCCCCc3nn2)cc1	EMOLS-id_44054345,PC-id_72029355,MCULE-5881645597	375.263	VXAVTUIWXJYJDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098184
Brc1cncc(c1)C1(CC1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678210	375.263	VWJCIIHXVWUXIZ-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-098185
O=C(C1CCn2c(CC1)nnc2)N[C@@H]1C[C@H]1c1ccccc1Br	EMOLS-id_316719832	375.263	XKFGGGHXRWULQR-RDNFXGMISA-N	00100000100000110101100000000010000000000000000000000000	31-01-098186
O=C(/C=C/c1ccc(Br)cc1)NCc1nnc2n1CCCCC2	PC-id_45866978,ZINC22_40043340,CoCoCo_4625734	375.263	VXAVTUIWXJYJDL-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098187
O=C(NCc1nnc2n1CCCCC2)/C=Cc1ccc(cc1)Br	CoCoCo_4625735	375.263	VXAVTUIWXJYJDL-YFHOEESVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098188
Cc1cc(Cl)c(c(c1Cl)S(=O)(=O)N1CCCn2c(C1)cnn2)C	EMOLS-id_316709887	375.273	AUDNDBJOGNYOSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098189
Brc1cccc(c1)C(=O)Nc1sc2CCCCCc2c1C#N	MCULE-5210254467,PC-id_4617474,CoCoCo_5819488,ZINC22_2745169,TIMTEC461471,EMOLS-id_5400382	375.283	SWNDWTMZPDIPOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098190
Brc1ccccc1C(=O)Nc1sc2CCCCCc2c1C#N	MCULE-8972522396,ZINC22_5577124,PC-id_3297710,STOCK5S-25455,EMOLS-id_4665373	375.283	CIMYZZCMXAMXOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098191
Brc1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C#N	SPECS-id_AK-968/11844243,MCULE-8096097757,TIMTEC521377,ZINC22_995065,EMOLS-id_5348800,PC-id_1220092,CoCoCo_5021717	375.283	WFGFDUGXTHRNGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098192
BrC1=Nc2c(CCC=C1)[nH]cc2C(=O)C1(C)CC[C@H]2[C@@H]1CCC2	PC-id_143853986	375.303	WCFCRRMYUCPDPE-YGVLEFOJSA-N	00000010100000000110000000000110000000000000000000000000	31-01-098193
Cc1nn2c(c1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CN=CCC2	PC-id_90463037,SCHEMBL16102889	375.312	VVEGOPQQYKCQKO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-098194
ClC1(Cl)C(C1)(C)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_43004094	375.313	QGUDKUVOXRPTTA-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-098195
O=C(Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O)NOC(C(=O)N)C	PC-id_141055241	375.333	RCULAHSPQLMOCD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-098196
COC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@@H](C(F)(F)F)O1	ZINC22_1875319618	375.343	KQEBNKIOCYZVCX-NEPJUHHUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098197
COC(=O)[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@H](C(F)(F)F)O1	ZINC22_1875319619	375.343	KQEBNKIOCYZVCX-NWDGAFQWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098198
COC(=O)[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@@H](C(F)(F)F)O1	ZINC22_1875319620	375.343	KQEBNKIOCYZVCX-RYUDHWBXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098199
COC(=O)[C@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@H](C(F)(F)F)O1	ZINC22_1875319621	375.343	KQEBNKIOCYZVCX-VXGBXAGGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098200
FC(F)(F)C(=O)Nc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1	PC-id_46677886	375.348	VSJIRSZCLBWEOQ-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098201
FC(F)(F)C(=O)Nc1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1	PC-id_75209479	375.348	VSJIRSZCLBWEOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098202
O=C(NC1CCCN(C1=O)CC(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102163039	375.35	WJSHPPHBNCXNBK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098203
FC(F)(F)S(=O)(=O)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_55752209	375.366	TXVNPLYVYUXLEA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-098204
FC(F)(F)S(=O)(=O)N1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_313748147	375.366	SQGGMEUEJFRCBM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-098205
OCc1cc2CN(CCCn2n1)S(=O)(=O)c1ccccc1C(F)(F)F	MCULE-8593512815,PC-id_91759884,EMOLS-id_55602454	375.366	LPMLCEVHTZTTEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098206
O=S(=O)(C(F)(F)F)Oc1nn(c2c1CCNCC2)Cc1ccccc1	PC-id_141114055	375.366	UCJUCTJCKBQEGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098207
O=S(=O)(N1Cc2cccn2C[C@H](OCc2ccccn2)C1)C(F)(F)F	ZINC22_575406796	375.366	TXVNPLYVYUXLEA-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-098208
O=S(=O)(N1Cc2cccn2C[C@@H](OCc2ccccn2)C1)C(F)(F)F	ZINC22_575406797	375.366	TXVNPLYVYUXLEA-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-098209
O=S(=O)(N1Cc2cccn2C[C@H](OCc2cccnc2)C1)C(F)(F)F	ZINC22_585095472	375.366	SQGGMEUEJFRCBM-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-098210
O=S(=O)(N1Cc2cccn2C[C@@H](OCc2cccnc2)C1)C(F)(F)F	ZINC22_585095479	375.366	SQGGMEUEJFRCBM-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-098211
CO[C@H]1CC(CC(c2c([C@@H]1OC)n(C)nn2)(F)F)C(=O)CCC(=O)OC	SCHEMBL21185219,PC-id_139336610	375.368	OZGLVPCJCOYXFL-SUTFURLSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098212
CCOC(=O)C1=CN(CC(c2c1cn[nH]2)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777845,PC-id_121358777	375.369	OUOVRTKEDQTOII-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-098213
CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc(F)c(F)c1	PC-id_121358784,SCHEMBL17777852,BindingDB-id_731685	375.369	LMJUUIRFJXAFDH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-098214
COC(=O)C1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777864,PC-id_121358796	375.369	DWYNCRCCOVMYBR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-098215
COC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)F)F	PC-id_121358787,SCHEMBL17777855	375.369	VZVVTZZXMVFALF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-098216
O=C(c1noc2c1CCCCC2)NC1CCN(C1=O)c1c(F)cccc1F	EMOLS-id_100993651	375.369	OSKAQWAONFNJCQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-098217
O=C(c1noc2c1CCCCC2)NC1CC(=O)N(C1)c1c(F)cccc1F	EMOLS-id_101003335	375.369	NMQLXXUYSAVEDH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-098218
O=C(N1CCCc2c(C1)cco2)NC1CC(=O)N(C1)c1c(F)cccc1F	EMOLS-id_99668528	375.369	DDHDUCAPAKGRJM-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-098219
O=C(NC(c1onc(n1)C(F)(F)F)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_319808313	375.369	MBVHSFKNQTZAMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098220
FC1(F)CC(C1)C(=O)N1CCCn2cnc(C(=O)Nc3cccnc3)c2C1	EMOLS-id_313786426,ZINC22_1565543926	375.373	AZEBCSLDACNTDR-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-098221
FC1(F)CC(C1)C(=O)N1CC(Cn2ncnc2C1)C(=O)Nc1ccccc1	EMOLS-id_313723862	375.373	BUMZUVIOKSFYAZ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-098222
O=C(Nc1ccccc1)[C@@H]1CN(C(=O)C2CC(F)(F)C2)Cc2ncnn2C1	ZINC22_1565546938	375.373	BUMZUVIOKSFYAZ-CYBMUJFWSA-N	00001000100000110101000000000010000000000000000000000000	31-01-098223
O=C(Nc1ccccc1)[C@H]1CN(C(=O)C2CC(F)(F)C2)Cc2ncnn2C1	ZINC22_1614929057	375.373	BUMZUVIOKSFYAZ-ZDUSSCGKSA-N	00001000100000110101000000000010000000000000000000000000	31-01-098224
c1(C(=O)O)cc2n(CCCN(C2)C(=O)c2cc(OC)c(cc2OC)OC)n1	ZINC22_65509090,EMOLS-id_32431830,MCULE-4663963871,PC-id_50981847	375.376	MFWVVEXZOXMAJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098225
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O=C(NN=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C)Cn1c(=O)cccc1	PC-id_78689182	375.463	JDOSXSRDOIIEEU-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-098389
c12CN(CCCn1nc(C(CC)O)c2)C(=O)c1ccc(cc1)c1ccccc1	PC-id_90651161,MCULE-6418855365,EMOLS-id_50539809	375.464	OBQAUUZCSMAVGS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-098390
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccccc1c1ccccc1	ZINC22_72426649,MCULE-4124223892,PC-id_56895875,EMOLS-id_43113835	375.464	JUEFNOXLXCARBN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-098391
Cc1cc(ccc1)CN1CCc2c(CC1)oc(n2)C(=O)NCc1ccccc1	PC-id_134806561	375.464	ZNZFZJOUSNQHOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098392
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(c3ccccc3)cc1)C2	PC-id_100065717,ZINC22_221176491	375.464	OBQAUUZCSMAVGS-QFIPXVFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-098393
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(c3ccccc3)cc1)C2	ZINC22_221176549,PC-id_100065718	375.464	OBQAUUZCSMAVGS-JOCHJYFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-098394
O=C(N1CCN(CC1)c1ncccc1F)Nc1nc2c(s1)CCCCC2	EMOLS-id_110470724	375.464	YQSKDVLBOLLKLQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-098395
c12CN(CCCn1nc(CNC(=O)CCC(=O)NC1CCCC1)c2)C(=O)C	EMOLS-id_44440245,PC-id_70752305,MCULE-6398870396,ZINC22_82121466	375.465	KLFMJMVYHCZSMQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098396
c12CN(CCCn1nc(CNC(=O)CN1CCOCC1)c2)C(=O)C1CCC1	PC-id_70776680,ZINC22_77515785,EMOLS-id_43598755,MCULE-8503541049	375.465	QKLNUCQQLMOPNK-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-098397
c12C(=O)NCC(O)Cn1nc(C(=O)NCC1(CCCCC1)N1CCCC1)c2	PC-id_91840683,MCULE-6577345472,EMOLS-id_55687827	375.465	KDTQPEGWSVPPKZ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-098398
c1(C(CC(C)C)NC(=O)CCOC)nnc2CCN(C(=O)C#CC)CCn12	PC-id_45222435,MCULE-2955411455,EMOLS-id_20624715	375.465	WPAYNAICPHXULN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098399
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(COC)o3)CCn12	EMOLS-id_20449531,PC-id_45181846,ChEMBL-DNDi_CHEMBL18905549,MCULE-8045040502	375.465	JNXXXURVIHUZHZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-098400
c1(C(=O)N2CCOCC2)cc2n(CCCN(C(=O)CN3CCCCC3)C2)n1	EMOLS-id_32390954,MCULE-8699969237,PC-id_50960143,ZINC22_65396232	375.465	ADGXRUIAINIWBY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098401
Cc1noc(C)c1CCC(=O)N1CCCn2nc([C@@H](O)CN(C)C)cc2C1	PC-id_100190966,ZINC22_223089680	375.465	KUOAWHUWTQPGIW-SFHVURJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098402
Cc1noc(C)c1CCC(=O)N1CCCn2nc([C@H](O)CN(C)C)cc2C1	ZINC22_223089741,PC-id_100190976	375.465	KUOAWHUWTQPGIW-GOSISDBHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098403
CCC(c1nnc2n1CCCCC2)NC(=O)N1C[C@H]2[C@](C1)(CCC2)C(=O)O	PC-id_122005176	375.465	QMQKEDXLZGUPJV-FCKRREBMSA-N	00000010100000000101000000000110000000000000000000000000	31-01-098404
CC(C)CCN(Cc1ccco1)C(=O)Cn1c(=O)n2CCC(CCc2n1)N	PC-id_91910902	375.465	AXGMMOHVSAYHEE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-098405
CC(C)CCNC(=O)C1CCc2nn(Cc3c(C)noc3C)c(=O)n2CC1	EMOLS-id_207876776,MCULE-6538422932	375.465	CVVNIUWBFOMYJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098406
CC#CC(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)CCOC)n2CC1	CoCoCo_1455012,ZINC22_14965973	375.465	WPAYNAICPHXULN-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098407
CC#CC(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)CCOC)n2CC1	ZINC22_14965969,CoCoCo_1455013	375.465	WPAYNAICPHXULN-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098408
CC(OC(=O)C1=CN(CC(c2c1n[nH]c2C)(C)C)C(=O)N1CCNCC1)C	PC-id_145087401	375.465	BYWZZJCKFBPTPI-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-098409
CC(=O)N1CCC(CC(=O)N2CCc3nn(CC4CC4)c(=O)n3CC2)CC1	PC-id_91910678,MCULE-7400908887,EMOLS-id_50590043	375.465	MIXNOUNDIUZFOM-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-098410
CCONC1C#CCCCn2c(cnn2)CCCCC(NCC1=O)C(=O)C	PC-id_90748491	375.465	DDXMBHMRBMAEGM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-098411
CN1CCN(CC1)C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_319724023	375.465	AGBMPARYUGKFEP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098412
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)CCc1c(C)noc1C	PC-id_91789616,EMOLS-id_55687653,MCULE-8767335426	375.465	KUOAWHUWTQPGIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098413
COCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)o1	CoCoCo_1199638,PC-id_26277053,ZINC22_14881466,CoCoCo_1199637	375.465	JNXXXURVIHUZHZ-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-098414
COCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)o1	PC-id_26277055,CoCoCo_1199640,ZINC22_14881467,CoCoCo_1199639	375.465	JNXXXURVIHUZHZ-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-098415
COCc1ccc(C(=O)NCc2nnc3n2CCN(CCC(C)C)CC3)o1	CoCoCo_1438080,MCULE-8883365185,CoCoCo_1438079,ZINC22_14957269,EMOLS-id_20613309,PC-id_26320047	375.465	NHBJMTAUZKFPBI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-098416
COCCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1ccc(o1)CC)C	CoCoCo_1196173,CoCoCo_1196174	375.465	GXYKSXRUNCGPBK-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-098417
COCCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1ccc(o1)CC)C	CoCoCo_1196175,CoCoCo_1196176	375.465	GXYKSXRUNCGPBK-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-098418
N#Cc1ccccc1S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3538139,MCULE-2404304074,EMOLS-id_16723036,PC-id_17516097	375.465	MWTIEBWWDWVLCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098419
N#Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_16706194,MCULE-6667974224,CoCoCo_3538137,PC-id_8500371	375.465	AHMQLSCEXAPQHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098420
N#Cc1cccc(c1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_8500369,EMOLS-id_16796540,CoCoCo_3538136,MCULE-2941398435	375.465	AWWQWTUHOFFRJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098421
o1c(CN2CCn3c(nnc3CC2)C(NC(=O)C)CC(C)C)ccc1CO	PC-id_45233476	375.465	UMXSDULJWPPYEE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-098422
o1c(CN2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)ccc1CC	PC-id_45181267	375.465	GXYKSXRUNCGPBK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-098423
OC1CC(C1)C(=O)N1CCCn2cnc(C(=O)NCCN3CCCC3)c2C1	EMOLS-id_313787195,ZINC22_1565555930	375.465	SMDRIEHRBCOYBK-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-098424
OCc1ccc(o1)CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)C)CC(C)C	CoCoCo_1525717,CoCoCo_1525716	375.465	UMXSDULJWPPYEE-QGZVFWFLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-098425
OCc1ccc(o1)CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)C)CC(C)C	CoCoCo_1525719,CoCoCo_1525718	375.465	UMXSDULJWPPYEE-KRWDZBQOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-098426
O=C(N1C[C@H]2[C@](C1)(CCC2)C(=O)O)NCCCc1nnc2n1CCCCC2	PC-id_122003799	375.465	VMNWYELEGVIXSR-IFXJQAMLSA-N	00000010100000000101000000000110000000000000000000000000	31-01-098427
O=C(N1CCOCC1)NC1CCN(CC1)C(=O)c1n[nH]c2c1CCCCC2	MCULE-3836709936,EMOLS-id_320142048	375.465	BHXSCMVGZYZXMN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098428
O=C(N(C1CN(C1)C(=O)OC(C)(C)C)C1CC1)C1CCn2c(CC1)nnc2	MCULE-9596416304,EMOLS-id_258120141	375.465	MBUQASUPEGRDMS-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-098429
O=C(NCC1(N2CCCC2)CCCCC1)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244701302	375.465	KDTQPEGWSVPPKZ-AWEZNQCLSA-N	00000010100010000101100000000010000000000000000000000000	31-01-098430
O=C(NCC1(N2CCCC2)CCCCC1)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244701303	375.465	KDTQPEGWSVPPKZ-CQSZACIVSA-N	00000010100010000101100000000010000000000000000000000000	31-01-098431
O=C(NCCN1CCCC1)c1ncn2c1CN(C(=O)[C@H]1CCOC1)CCC2	ZINC22_1565554195	375.465	LUIAOFSZBCNIDA-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098432
O=C(NCCN1CCCC1)c1ncn2c1CN(C(=O)[C@@H]1CCOC1)CCC2	ZINC22_1614934678	375.465	LUIAOFSZBCNIDA-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098433
O=C(NCCN1CCCC1)c1ncn2CCCN(Cc12)C(=O)C1CCOC1	EMOLS-id_313786683	375.465	LUIAOFSZBCNIDA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-098434
s1c2CCCCCc2cc1C(=O)OCc1sc2n(n1)c(=O)cc(n2)C	PC-id_8356982	375.465	MGNMKASYPYWVBF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-098435
c12C(CCCCn1nnn2)C(=O)NCCC(c1ccccc1)c1ccccc1	MCULE-2660779622,PC-id_74245414,EMOLS-id_49670138	375.467	IQYDCIUZEFFQEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098436
C1CCc2nnc(n2CC1)/C(=C(/CN1CCC(=CC1)c1ccccc1)O)/C#N	PC-id_135778039	375.467	GWPZDCMRUVGDRW-VXPUYCOJSA-N	00000000100011110101100000000010000000000000000000000000	31-01-098437
c1(CN2CCCn3c(cc(n3)C(O)c3ccccc3)C2)cc(n(C)c1C)C#N	PC-id_90651986,MCULE-2725297353,EMOLS-id_50542953	375.467	KGTIUFRBHBGWPW-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-098438
c1(cn2c(CCNCC2)n1)C(=O)NC(c1cccnc1)c1ccc(c(C)c1)C	MCULE-9287446613,EMOLS-id_330415870	375.467	ORJZZEHHXPIRII-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-098439
Brc1ccc(c(c1)C(F)(F)F)OC1CCNCc2c1cco2	SCHEMBL10078688,PC-id_68028598	376.168	LWWZBIZOYCMNBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098958
c1(CN(c2ccc(cc2)C)C(=O)Nc2ccccc2)nnc2CCCCCn12	ZINC22_1070544,TIMTEC152921,CoCoCo_6269461,MCULE-6558531432,PC-id_620700,EMOLS-id_6781283	375.467	FQGPGOSZPWUMMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098440
c1(CN(c2ccccc2)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	PC-id_7267240,EMOLS-id_10085698,ZINC22_4518081,CoCoCo_2580164,MCULE-8261058313	375.467	JZYVBEQSVPTERV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098441
c1(CN(c2ccccc2)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	ZINC22_4518079,MCULE-4586638575,EMOLS-id_10086452,PC-id_7267238,CoCoCo_2580163	375.467	NXDVSDXLKCPLIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098442
c1(CN(c2cccc(C)c2)C(=O)Nc2ccccc2)nnc2CCCCCn12	MCULE-8289608776,CoCoCo_5015644,ZINC22_4434908,PC-id_3241496,EMOLS-id_5471828	375.467	BGXVLUGGXZNOBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098443
c1(CN(C)C(=O)c2cccc(c2)c2ccc(nn2)C)c2CCCCCc2[nH]n1	ZINC22_426633746,MCULE-4748987273,PC-id_119071609,EMOLS-id_82734843	375.467	COPDCGHSZFOPHK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-098444
c1(CN(C)C(=O)c2ccc(cc2)c2cncc(N)c2)c2CCCCCc2[nH]n1	PC-id_119059532,ZINC22_426379726,MCULE-2758119988,EMOLS-id_82702315	375.467	MSJJWCCBDPKSBS-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-098445
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)C)C(=O)Nc1ccccc1	MCULE-5008203563,PC-id_4752019,ZINC22_8550069	375.467	GPSDDLNPLSYVHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098446
c1(nnc2CCCCCn12)N(Cc1ccccc1C)C(=O)Nc1ccccc1	ZINC22_16769805,MCULE-3974413972,PC-id_4752646	375.467	HWIXUJPJNLUULF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098447
c1(nnc2CCCCCn12)N(Cc1ccccc1)C(=O)Nc1ccc(cc1)C	PC-id_4753043,ZINC22_8550219,MCULE-1896384865	375.467	CSPULEKKSASVNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098448
c1(nnc2CCCCCn12)N(Cc1cccc(C)c1)C(=O)Nc1ccccc1	PC-id_1538837,MCULE-6981789106,ZINC22_1468147	375.467	UCBAQYAPEHLGBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098449
CC1(C)Cc2n[nH]cc2CN(C(=O)NCc2cccc(c3ccccn3)c2)C1	MCULE-8289989877,ZINC22_585098373,EMOLS-id_177309004	375.467	PYBAAYMMWDZAGR-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-098450
Cc1ccc(c2cccc(C(=O)NCc3cc4n(n3)CCCNC4)c2)c(C)n1	EMOLS-id_177395647,PC-id_121499035,ZINC22_426433560,MCULE-1912915725	375.467	FQHKQHFLDFESSY-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-098451
Cc1ccccc1CN1CCc2nnc(CNC(=O)c3ccccc3)n2CC1	ZINC22_20906143,CoCoCo_1310437,EMOLS-id_20527017,MCULE-8157645518,CoCoCo_1310436,PC-id_29208993	375.467	QQYXGAUIHRFEME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098452
Cc1ccccc1NCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)C	PC-id_134805256	375.467	KOXWEBPTQFJOOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098453
Cc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccccc1	PC-id_16458778,MCULE-3676817887,CoCoCo_6601989,ZINC22_28527836	375.467	LYHSRXGEICNATC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098454
Cc1ccccc1N(Cc1nnc2CCCCCn12)C(=O)Nc1ccccc1	ZINC22_3254043,EMOLS-id_3051666,MCULE-3876155809,CHEMBL1484662,CoCoCo_2580252,PD112907,PC-id_2370829	375.467	FGFDOGNADXENRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098455
Cc1ccc([C@H](NC(=O)c2cn3c(n2)CCNCC3)c2cccnc2)cc1C	ZINC22_1857718695	375.467	ORJZZEHHXPIRII-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-098456
Cc1ccc([C@@H](NC(=O)c2cn3c(n2)CCNCC3)c2cccnc2)cc1C	ZINC22_1857718696	375.467	ORJZZEHHXPIRII-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-098457
Cc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c1	ZINC22_28527088,PC-id_16458482,CoCoCo_6600574,MCULE-3824563910	375.467	PLFFBEVJGUEGSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098458
Cc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2)c1	MCULE-4493838286,ZINC22_28527927,CoCoCo_6602279,PC-id_16458812	375.467	MKNARRSFMAATII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098459
Cc1ccc(Nc2ccccc2C(=O)NCc2nnc3n2CCCCC3)cc1	PC-id_56807430,MCULE-1674735005,EMOLS-id_36994991,ZINC22_71794584	375.467	WNBRVPOVARJDFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098460
Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1	PC-id_16458679,CoCoCo_6600949,ZINC22_28527565,MCULE-4687879245	375.467	WXCMBYPDZGKBFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098461
Cc1c(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)cc(C#N)n1C	PC-id_100066447,ZINC22_221260314	375.467	KGTIUFRBHBGWPW-JOCHJYFZSA-N	00000000110000110101000000000010000000000000000000000000	31-01-098462
Cc1c(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)cc(C#N)n1C	ZINC22_221260381,PC-id_100066448	375.467	KGTIUFRBHBGWPW-QFIPXVFZSA-N	00000000110000110101000000000010000000000000000000000000	31-01-098463
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c1(cc(sc1C(=O)OC)Cl)S(=O)(=O)N1CCCn2cncc2C1	PC-id_56913387,ZINC22_72167707,MCULE-8739736669,EMOLS-id_43169548	375.851	VPXXUALPKCNNCB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-098893
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1)Cl)c2)C(=O)N(C)C	PC-id_70709193,ZINC22_82087651,EMOLS-id_44424985,MCULE-9344477137	375.853	KDHDCTJMFWOREQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098894
c12CN(CCCn1nc(CNC(=O)Nc1c(C)cccc1Cl)c2)C(=O)C	MCULE-2184256005,EMOLS-id_44447717,ZINC22_82146669,PC-id_70774265	375.853	WLHYDCQBJRVCQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098895
c12nnnn1CCCCC2C(=O)N1CCC(CC1)Oc1cccc(Cl)c1	EMOLS-id_68921211,PC-id_118785513,MCULE-7845392909	375.853	VBXQSJBYXWTLJE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-098896
c1(C(=O)NCc2cccc(Cl)c2)cn2c(CCN(CC2)C(=O)NCC)n1	ZINC22_1875241757,EMOLS-id_331123202,MCULE-7984897818	375.853	GDXULSZZRHBYPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098897
CCCNC(=O)c1ccc(cc1Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278120819	375.853	PTHCKBPMEFATPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098898
CC(NC(=O)c1ccc(cc1NC(=O)C1CCn2c(CC1)nnc2)Cl)C	EMOLS-id_278114726	375.853	LPLOKSKDEYFPDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098899
Clc1ccccc1C1(CCOCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102160342	375.853	BUFVBGROPHTICM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-098900
Clc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)N1CCOCC1	EMOLS-id_316728821	375.853	PUJNJZGUDOHXCH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-098901
Clc1ccc(cc1)NC(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97405201	375.853	DWZRAVFLZHRXPS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-098902
Clc1ccc(C(=O)NCCC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266272	375.853	RFNRMHCPNQGZJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098903
Clc1c(C(=O)NC(C(=O)NCc2n3CCCCCc3nn2)C)cccc1	PC-id_46524905	375.853	VHAAMGKBMFFVDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098904
Clc1c(C(=O)NCC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_55535665	375.853	WUFWUUOKJQJLNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098905
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1N1CCOCC1)Cl	EMOLS-id_316694441	375.853	QDNQXJWCNYHJCM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-098906
O=C([C@H]1CCCCn2nnnc12)N1CCC(Oc2cccc(Cl)c2)CC1	ZINC22_299783824	375.853	VBXQSJBYXWTLJE-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-098907
O=C([C@@H]1CCCCn2nnnc12)N1CCC(Oc2cccc(Cl)c2)CC1	ZINC22_299783828	375.853	VBXQSJBYXWTLJE-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-098908
O=C(N(C)C)Nc1ccc(c(c1)Cl)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674655	375.853	PNYICKAPEBSPAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098909
O=C(N[C@@H]1C[C@H](C1)c1ccccc1Cl)NCc1nnc2n1CCOCC2	EMOLS-id_317779912,MCULE-1897565284	375.853	SFXCMLQCHVHXEK-JOCQHMNTSA-N	00001000100000110101100000000010000000000000000000000000	31-01-098910
Clc1cccc(c1)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183081	375.856	VUWZEOSGOGLYLD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-098911
O=C(N1CCN(CC1)c1ccccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102183075	375.856	FEBYLLCASZQRIA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-098912
O=C(NC1CCn2c(CC1)nnn2)NC1CCN(C1)c1cccc(c1)Cl	EMOLS-id_102158554	375.856	SIKXLPFYBWVGQX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-098913
O=C(NC1CCn2c(CC1)nnn2)NC1CCN(C1)c1ccc(cc1)Cl	EMOLS-id_102166756	375.856	UARHHPLBWWRVNS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-098914
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)O	MCULE-2177315298	375.869	DPFFBZGGNGUXTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098915
OC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2CCCCCc12	PC-id_28860495,EMOLS-id_179129736	375.869	DPFFBZGGNGUXTE-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098916
Clc1ccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)C2CC2)cc1	EMOLS-id_313727702,ZINC22_2055713884	375.872	VLYNNWLWCANOGR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-098917
CC(C)c1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Cl)cn2n1	BindingDB_PC-id_71748085,BindingDB-id_300544,SCHEMBL15282918,PC-id_71748085	375.876	SLJUBBDNWOFUGZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-098918
Cn1ncc2c1CCCN(S(=O)(=O)c1ccc(Br)s1)C2	EMOLS-id_101945919,ZINC22_333163363	376.292	GVQDETWNWPAACW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-098982
C[C@@H](Sc1nnc2n1CCCCC2)c1nnc(c2cccc(Cl)c2)o1	CoCoCo_4013282,ZINC22_9217896,PC-id_40972610	375.876	JWOPTUMOUDWUEE-LLVKDONJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-098919
C[C@H](Sc1nnc2n1CCCCC2)c1nnc(c2cccc(Cl)c2)o1	ZINC22_9217895,PC-id_40972609,CoCoCo_4013281	375.876	JWOPTUMOUDWUEE-NSHDSACASA-N	00000000100000110101100000000010000000000000000000000000	31-01-098920
Clc1ccc2c(c1)nc(s2)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319166450	375.876	CUQAISJXPPWBNA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-098921
Clc1ccc2c(c1)nc(s2)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101728131	375.876	WSQAHKBAXOQFAV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-098922
Clc1cc(c2oc(nn2)C(Sc2n3CCCCCc3nn2)C)ccc1	EMOLS-id_11848705,MCULE-6326192872,PC-id_16382974	375.876	JWOPTUMOUDWUEE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-098923
ClC1=CCc2c(C=C1)scc2CN(C(=O)C)CCc1ccc(cc1)F	PC-id_142102817	375.887	PIJIDLDJRXFLTO-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-098924
c1(C(O)C2CCC2)cc2n(CCCN(Cc3ccc(c(Cl)c3)OC)C2)n1	MCULE-5919831204,EMOLS-id_55607074,PC-id_91761502	375.892	SJALKMJXNSZMSZ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-098925
COc1ccc(cc1Cl)CN1CCCn2c(C1)cc(n2)[C@H](C1CCC1)O	PC-id_100009429	375.892	SJALKMJXNSZMSZ-FQEVSTJZSA-N	00001000100000110101000000000010000000000000000000000000	31-01-098926
COc1ccc(cc1Cl)CN1CCCn2c(C1)cc(n2)[C@@H](C1CCC1)O	PC-id_100009431	375.892	SJALKMJXNSZMSZ-HXUWFJFHSA-N	00001000100000110101000000000010000000000000000000000000	31-01-098927
COCCNC(=O)c1n[nH]c2c1CCCCC[C@@H]2Cc1cccc(c1)Cl	PC-id_143764419	375.892	LPCYSGANDDRIOC-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098928
COCCNC(=O)CC1CN(Cc2cccc(Cl)c2)Cc2cccn2C1	EMOLS-id_313813794	375.892	HXCFQVNSXVDWQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098929
COCCNC(=O)C[C@H]1CN(Cc2cccc(Cl)c2)Cc2cccn2C1	ZINC22_585099073	375.892	HXCFQVNSXVDWQZ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098930
COCCNC(=O)C[C@@H]1CN(Cc2cccc(Cl)c2)Cc2cccn2C1	ZINC22_585099074	375.892	HXCFQVNSXVDWQZ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098931
c12CN(CCC)CCCn1nc(CNC(=O)Nc1c(C)cccc1Cl)c2	PC-id_70783569,EMOLS-id_44451045,MCULE-5853452413,ZINC22_82161245	375.896	JVYKJTQNPRUYDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098932
c12CN(CCC)CCCn1nc(CNC(=O)Nc1c(C)ccc(Cl)c1)c2	EMOLS-id_44434165,PC-id_70735114,MCULE-4219137284,ZINC22_82108190	375.896	FKCHGNZVWWZJKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098933
c12CN(CCCn1nc(CNC(=O)Nc1ccc(cc1)Cl)c2)CC(C)C	ZINC22_82134189,MCULE-5067054097,PC-id_70761137,EMOLS-id_44443227	375.896	OXOGVHGDXACTQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098934
c12CN(CCCn1nc(CNC(=O)Nc1cccc(Cl)c1)c2)CC(C)C	PC-id_70735617,ZINC22_82108324,MCULE-8023249024,EMOLS-id_44434367	375.896	NHNYHDBTTGKMAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098935
CC(C)CCNC(=O)c1cnc2n1CCN(CC2)Cc1c(cncc1)Cl	PC-id_134808259	375.896	VUOOZUKFNQCTEV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-098936
CCC(C)C(=O)NCc1nnc2CCN(Cc3ccc(Cl)cc3)CCn12	ChEMBL-DNDi_CHEMBL35293163,MCULE-9197212573,EMOLS-id_20535867,PC-id_45201697	375.896	IIIKBEMZTNEDNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098937
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)C3=CC=NO3	PC-id_155203868	376.175	PLOYCXRUEYSTFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098959
CC(C)C(=O)NCCc1nnc2CCN(Cc3cccc(Cl)c3)CCn12	ChEMBL-DNDi_CHEMBL33430462,ZINC22_12041340,PC-id_42372273,CoCoCo_1310541,EMOLS-id_20527097,CoCoCo_1310540,MCULE-7935087506	375.896	LPDZTRMMUNYSCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098938
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2	CoCoCo_1323170,ZINC22_12154450,CoCoCo_1323172	375.896	IIIKBEMZTNEDNF-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098939
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2	ZINC22_12154446,CoCoCo_1323171,CoCoCo_1323173	375.896	IIIKBEMZTNEDNF-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098940
Clc1cc(CN2CCn3c(nnc3C(NC(=O)C(C)C)C)CC2)ccc1	PC-id_45166212	375.896	WFFUJKFKBWITMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098941
Clc1ccc(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)cc1	PC-id_7565936	375.896	ZINYMMIYXKGMAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098942
Clc1c(CN2CCn3c(nnc3CCNC(=O)C(C)C)CC2)cccc1	CoCoCo_1188439,ChEMBL-DNDi_CHEMBL17614248,PC-id_28394004,CoCoCo_1188440	375.896	UUNCDYYIISGBEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098943
Clc1cc(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)ccc1	PC-id_7566116	375.896	PSJUADWBIUNPHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098944
Clc1c(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)cccc1	PC-id_7565991	375.896	ZHBCZUFWYUPYJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098945
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccc(nc1)Cl	PC-id_109784426	375.899	FEVFHJWDYQZUNQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-098946
CN=C(NCCc1nnc2n1CCCCC2)NCCc1ccc(nc1)Cl	PC-id_109784458	375.899	CHUVTWSXWMNMQN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-098947
Clc1ccc(N2CCN(CC2)C(=O)c2sc3c(CCCCC3)c2)nc1	PC-id_56140581	375.915	UXFCIWTVXCOMOT-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-098948
Clc1c(N2CCN(CC2)C(=O)c2sc3c(CCCCC3)c2)nccc1	PC-id_56026604	375.915	CQVPCEMSCSEGLO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-098949
O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(Cl)c1	CHEMBL559873,BindingDB_PC-id_45267491,PC-id_45267491	375.915	KAEBDVFJWYJWBA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-098950
ClC1=CCC2NC(=CC2=C1)C(NCc1sc2c(CCN(CC2)C)c1)C	SCHEMBL8120096,PC-id_70280167	375.959	HLBPJPWEGYJQMA-UHFFFAOYSA-N	00000011100011000100000000000110000000000000000000000000	31-01-098951
C1CCC2=C(C(=NN2CC1)COC3CCCCO3)I	PC-id_155019714	376.065	YIQWLHVQMKIOBV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098952
C[C@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)[N+]#[C-]	PC-id_165164747	376.101	HCHHQFHLKCSUAU-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-098953
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CCC(NS2=O)CO	PC-id_154682097	376.101	JCCWNJYYWIZTIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098954
C1CC2=NN=NN2CC[C@H]1C(=O)NCCC3=CNC4=CC(=C(C=C43)Cl)F	PC-id_164636567,ZINC22_585124206	376.121	BSDNUCCSPCINLO-JTQLQIEISA-N	00000000100000100101000001100010000000000000000000000000	31-01-098955
CC1N(NCCS1)C(=O)C2=CC=C3C2=CC=C(C=C3)C(=O)C4=CC=CC=C4	PC-id_150248986	376.125	FZDAXUBUEMJYTN-UHFFFAOYSA-N	00000010100010110111000000000010000000000000000000000000	31-01-098956
C1CN(CCc2c1nc(s2)I)C(=O)C(F)(F)F	PC-id_86621190,SCHEMBL3880447	376.137	VLTPTYUTFLPHFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098957
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)C3=COC=N3	PC-id_155203872	376.175	WTWKYMBAOSWDAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098960
COCCCNC(=O)[C@@H]1CCCCC2=NN(C(=O)N12)CC3=CC(=CC=C3)F	PC-id_164641217	376.191	MHLWGIICSFJJRY-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098961
Ic1ccc2-c(c(c(OS(=O)(=O)C)c2C)C)cc1	PC-id_21063111	376.21	BIIUCDIHCDWRLD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-098962
Brc1cc2[nH]cnc2c(c1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102177860	376.211	YCEFSZXWIXUUKG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-098963
Brc1ccc2n(c1)c(nn2)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319196929	376.211	GNGHHNNMORAYPQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-098964
N#Cc1ccc(cc1Br)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102012652	376.211	MMCNDLANGRTVJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098965
C1CNCC2=CC(=NN2C1)CN3CC(C4=C(C3)NC=N4)CCC5=CC=CC=C5	PC-id_165424432	376.238	MPVRCIJKQJNUFO-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-098966
Brc1ccc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2C)cc1	SCHEMBL11202921,PC-id_20483853	376.244	XYIJQFIAQKGNOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098967
Brc1ccc(C(=O)c2n3c(C(CCCC3)C(=O)OC)cc2)cc1	PC-id_20484182,SCHEMBL11194078	376.244	OXHDKZBFEULHSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098968
Brc1cc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2C)ccc1	PC-id_20483962,SCHEMBL11201206	376.244	NXEMPXKCOBZLLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098969
Brc1cc(C(=O)c2n3c(C(CCCC3)C(=O)OC)cc2)ccc1	SCHEMBL11198400,PC-id_20484140	376.244	KBNVSMNIFCQJST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098970
BrCc1c(c2-c(c1C#N)ccccc2)C(=O)/C=C/c1ccccc1	PC-id_11417516	376.246	HQQDPHKGAXZORJ-VAWYXSNFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-098971
BrCc1c(c2-c(c1C#N)ccccc2)C(=O)C=Cc1ccccc1	PC-id_72953467	376.246	HQQDPHKGAXZORJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-098972
CN(CCN(C)C(=O)C1=CN=C2N1CCCCC2)C(=O)C3CCC(CC3)O	PC-id_154773182,MCULE-8704892223,EMOLS-id_317385500	376.247	SYTHYHCTCUCZFI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098973
O=C(N1CCCc2c(C1)cco2)Nc1ccc(c(n1)C1CC1)Br	EMOLS-id_101471161	376.248	SKSHFQIVXPAFCY-UHFFFAOYSA-N	00100000100000101100100000000010000000000000000000000000	31-01-098974
Brc1cnc(nc1C(=O)N1CCCc2c(C1)cnn2C)C1CC1	EMOLS-id_101845885	376.251	QVGHVRXFUMDTLR-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-098975
COc1ccc(c(c1Cl)Cl)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99299236	376.255	QBYRSJNMKKQUTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098976
Cc1ccc(c(c1Cl)S(=O)(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_102026656	376.261	VYTDSYCXYKFQOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098977
Clc1nc(Cl)cc(c1)C(=O)NC1=CCc2c(C=C1)[nH]c(c2)C(C)(C)C	PC-id_142886379	376.28	XPNDNEDTEWFCJA-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-098978
Cc1cc(C(C)(C)C(=O)N2CCCc3occc3C2)ccc1Br	ZINC22_1527470617	376.287	WESYEZVQOCLWNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098979
Cc1cc(c(s1)S(=O)(=O)N1CCCc2c(C1)cco2)Br	EMOLS-id_99307457	376.289	WCSFWRXZFAYWOE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-098980
Brc1ccsc1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948331	376.292	YRYMRYTYSOTMPM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-098981
CO[C@H]1CN(CCc2c([C@@H]1OC)nn[se]2)C(=O)OC(C)(C)C	PC-id_144787961	376.31	YCQGDQPGZRGBHS-JOYOIKCWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098983
OC(=O)CON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O)C	PC-id_141055250	376.318	XLGAEBZNVSHRIT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-098984
Cc1cc(C)c(c(c1)C)B(c1c(C)cc(cc1C)C)c1cc2-c(c1)ccccc2	PC-id_122369577	376.341	HZAFDUOYCXCFCT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-098985
Cc1cc(C)c(c(c1)C)B(c1c(C)cc(cc1C)C)c1ccc2-c1ccccc2	PC-id_122211758	376.341	YUIUXAXLOYGSBX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-098986
Cc1cc(C)c(c(c1)C)B(c1c(C)cc(cc1C)C)c1cccc2-c(c1)ccc2	PC-id_122369576	376.341	OGIGDQSSRDTJRS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-098987
s1c2CCCCCc2cc1C(=O)NNc1c(F)c(F)c(F)c(F)c1F	PC-id_9426173	376.344	LLHAJUITSBYTGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-098988
FC(COc1ccc(cn1)S(=O)(=O)N1CCCc2c(C1)cco2)(F)F	EMOLS-id_99307472	376.351	NGLFPWWDRPZUMR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-098989
Cn1nc2CCN(CCn2c1=O)S(=O)(=O)c1ccccc1C(F)(F)F	PC-id_91910641,MCULE-4915929006,EMOLS-id_49731339	376.354	JSYUKXWMBCUSJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098990
FC(COc1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)cnn2)(F)F	EMOLS-id_316709118	376.354	NONNWZVQNQNIEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098991
CO[C@H]1CN(CC(c2c([C@@H]1OC)n(C)nn2)(F)F)C(=O)CCC(=O)OC	SCHEMBL16984327,PC-id_118287973	376.356	VRLJPLAKWHPOPS-TVQRCGJNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098992
O(CC(=O)c1c2-c(c(c1)C(=O)OC)ccccc2)c1c(cc(cc1)C=O)C=O	PC-id_10894111	376.359	VMMFWMTUXGAJFW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-098993
CC(=O)N(c1nc(n2c1CCN(CC2)C(=O)OC(C)(C)C)C(F)(F)F)C	PC-id_143807605	376.374	ASVLNMOSDWSOIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-098994
O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC[C@@H](OCC(F)(F)F)C1	ZINC22_1251162812	376.374	YMUAOJSWZRPDPU-GFCCVEGCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098995
O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC[C@H](OCC(F)(F)F)C1	ZINC22_1251162813	376.374	YMUAOJSWZRPDPU-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-098996
FC(F)(F)/C(=C(/c1n2CCCCCc2nn1)C#N)/OCc1ccc(cc1)C	CoCoCo_3163593,PC-id_2437485,CoCoCo_3163594	376.376	JTTRYJPGDXTKES-ICFOKQHNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098997
FC(F)(F)C(=C(c1n2CCCCCc2nn1)C#N)OCc1ccc(cc1)C	EMOLS-id_26056928,MCULE-7052549963,PC-id_4437106	376.376	JTTRYJPGDXTKES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098998
FC(F)(F)/C(=C(c1n2CCCCCc2nn1)/C#N)/OCc1ccc(cc1)C	PC-id_2437484,CoCoCo_3163595,CoCoCo_3163592	376.376	JTTRYJPGDXTKES-BMRADRMJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-098999
Cc1c(cc(cc1[N+](=O)[O-])C(=O)Nc1nc2CCCCCc2s1)[N+](=O)[O-]	EMOLS-id_334602621,MCULE-7581929371	376.387	JQAHLWAJYQWXEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099000
Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Nc1nc2CCCCCc2s1	MCULE-8087496032,EMOLS-id_334605948	376.387	IKGDZBDEPSNIIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099001
s1c2CCCCCCc2nc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	PC-id_60571644	376.387	QVXVQHWUYDCQHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099002
CCO[P+](C(C1=Cc2nnnn2CC(C1)C)c1ccccc1)(OCC)[O-]	PC-id_102518475	376.39	NVAYKETVEBLXEF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-099003
S(=O)(=O)(Nc1nc(=O)nc2n(CCO)cnc2c1N)c1ccc(cc1)C	PC-id_10714546	376.39	SUSQJACEGXXJCT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-099004
O=C(c1c(sc2c1CCCCC2)NC(=O)C(F)(F)F)N1CCOCC1	PC-id_11603240,SCHEMBL4132193	376.394	ZOXUVRAXERVESA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099005
CC(=O)NC(c1ccc(cc1F)F)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318099771	376.4	ZRZKRVALYSRKQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099006
CNC(C1=CN(CC(c2c1n[nH]c2C)(C)C)C(=O)c1ccc(c(c1)F)F)O	PC-id_145087395	376.4	QGPRWUBAXLBBIU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-099007
Fc1c(C(=O)CCC(=O)NCCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_52337896	376.4	UWSUEKLCCZXWCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099008
O=C(N1CCCc2c(C1)cnn2C)c1cc(F)c(c(c1)F)N1CCOCC1	EMOLS-id_101678423	376.4	ATQMIKMASBCGCF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-099009
O=C(Nc1c(F)cccc1F)CCC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316653777	376.4	CIQYNSNFVXKFJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099010
O(C(=O)c1c2-c(c(c1)C(=O)/C=C/c1c(OC)ccc(OC)c1)ccccc2)C	PC-id_10547528	376.402	KTFRIRTUXXUVOM-PKNBQFBNSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099011
O(C(=O)c1c2-c(c(c1)C(=O)C=Cc1c(OC)ccc(OC)c1)ccccc2)C	PC-id_85180440	376.402	KTFRIRTUXXUVOM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099012
O(C(=O)c1c2-c(c(c1)C(=O)/C=C/c1c(OC)cc(OC)cc1)ccccc2)C	PC-id_11793925	376.402	QYBFTVPXCLKWHY-ZRDIBKRKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099013
O(C(=O)c1c2-c(c(c1)C(=O)C=Cc1c(OC)cc(OC)cc1)ccccc2)C	PC-id_73104072	376.402	QYBFTVPXCLKWHY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099014
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(cc2)C(=O)c1ccccc1)CC	PC-id_11003320	376.402	ORSALVSITIPFFW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099015
CCOC(=O)c1cc(c2-c1ccc(cc2)N=Nc1ccccc1)C(=O)OCC	PC-id_101760650	376.405	XZAGBWYDJXURQW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099016
CCOC(=O)c1c(N=Nc2ccccc2)c(c2-c1ccccc2)C(=O)OCC	PC-id_102216110	376.405	KRLMDHYQIPMDGI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099017
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CC[C@@H](NS2(=O)=O)C	SCHEMBL18353361	376.405	IQITWXNBCPTDCI-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-099018
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C	PC-id_140762727	376.405	IQITWXNBCPTDCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099019
O=C(N(c1ccccc1)C(=O)N)C(Cc1c2-c(cc1)ccccc2)CC(=O)O	PC-id_77323266	376.405	FYZANRPIJDJHPY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099020
O=C(N(c1ccccc1)C(=O)N)[C@H](Cc1c2-c(cc1)ccccc2)CC(=O)O	SCHEMBL8524521,PC-id_67613788	376.405	FYZANRPIJDJHPY-QGZVFWFLSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099021
COc1cc(NC(=O)Cn2nc3CCCCCn3c2=O)cc(OC)c1OC	EMOLS-id_18841168,PC-id_41793814,SPECS-id_AT-687/NB01965,MCULE-2443410616,CoCoCo_4447328,ZINC22_11049519	376.407	AYFQGCSGPFTHDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099022
COCCn1nc2CCN(CCn2c1=O)C(=O)c1ccc(OC)cc1OC	EMOLS-id_50589975,PC-id_91910654,MCULE-2228980101	376.407	IVLGFCLUAOYIGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099023
COC1NC(=O)c2c(N(C1=O)Cc1ccccc1)n(cn2)Cc1ccccc1	PC-id_23448725,SCHEMBL5743588	376.408	CVVFGHGNTHJNCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099024
O=C1c2c([nH]cc2C(=O)Nc2c(OCc3cccnc3)ccnc2)CCCC1	PC-id_21953161,SCHEMBL6094134	376.408	RBMHLKNNGGMNEV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-099025
O=C1c2c([nH]cc2C(=O)Nc2c(OCc3ccncc3)ccnc2)CCCC1	PC-id_21953074,SCHEMBL6092102	376.408	FSNXFTLGJYZKNN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-099026
O=C(N1CCCCc2c1ccn2Cc1cccnc1)c1ccc(cc1)[N+](=O)[O-]	PC-id_139709930	376.408	MWGUVLRLHLSQBR-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-099027
O=C(O)c1cc(CCn2cnc3c2NC=NCC3O)cc(c2ccccc2)c1	CHEMBL430742,PC-id_9999585,BindingDB_PC-id_9999585	376.408	JXLHDKZZPKZBDM-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-099028
c12C(=O)NCC(O)Cn1nc(C(=O)NC(c1ccccc1)c1ccccc1)c2	MCULE-5949661748,EMOLS-id_55609436,PC-id_91829475	376.409	SULZXENCBGPFCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099029
C1C(Cn2c(cc(n2)C(=O)NCc2cccc(c2)c2ccccc2)C(=O)N1)O	PC-id_135116389	376.409	QAVLOPQYVRTKAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099030
CC1(C)CNC(=O)c2c(C(=O)Nc3ccc(c4ccccc4)nn3)coc2C1	PC-id_146148871,ZINC22_1457291903	376.409	OJUIHQHHBJNKDD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099031
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)c1ccc2c(OCO2)c1	MCULE-4282163186,EMOLS-id_337811212,ZINC22_2356138610	376.409	NOXSJJRMFRRYKE-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-099032
O=C(NC(c1ccccc1)c1ccccc1)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244817109	376.409	SULZXENCBGPFCO-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099033
O=C(NC(c1ccccc1)c1ccccc1)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244817110	376.409	SULZXENCBGPFCO-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099034
c1(C(=O)NC(CO)C(=O)OC)cn2c(CCN(Cc3cnn(C)c3)CC2)n1	MCULE-4880995489,EMOLS-id_337659061	376.41	YHLNLOJJKARMOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099035
COCCOc1ncccc1NC(=O)N(C)Cc1nnc2n1CCOCC2	MCULE-9183270117,ZINC22_1615546786,EMOLS-id_320329157	376.41	CBNCKMLVNQTROP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099036
COC(=O)[C@H](CO)NC(=O)c1cn2c(n1)CCN(Cc1cnn(C)c1)CC2	ZINC22_2100473749	376.41	YHLNLOJJKARMOL-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099037
COC(=O)[C@@H](CO)NC(=O)c1cn2c(n1)CCN(Cc1cnn(C)c1)CC2	ZINC22_2100473750	376.41	YHLNLOJJKARMOL-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099038
c1ccc(Cc2nnc3n2CCN(Cc2nnc(c4ccco4)o2)CC3)cc1	ZINC22_252491994,MCULE-2072538258,EMOLS-id_55693089,PC-id_91841471	376.412	MATMFOJLVDVUFC-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-099039
c1(C(=O)Nc2ccccc2)cc2n(CCCN(C(=O)c3ccc(nc3)N)C2)n1	MCULE-8109285335,EMOLS-id_32413050,PC-id_50971879,ZINC22_65435305	376.412	APKKQYRELBFSAX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099040
O(c1ccc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)Cc1nc(on1)C	PC-id_48054903	376.412	OTGZLXRTQHOBMW-WJDWOHSUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099041
O(c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1)Cc1nc(on1)C	PC-id_85514613	376.412	OTGZLXRTQHOBMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099042
O=S(=O)(c1cccc(c1)C(F)(F)F)Nc1nc2c(s1)CCCCC2	PC-id_112807939	376.417	WHBJZYJSZDCUJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099043
O=S(=O)(c1ccccc1C(F)(F)F)Nc1nc2c(s1)CCCCC2	PC-id_112807940	376.417	LYPRTRKJQNVMQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099044
O=S(=O)(c1ccc(cc1)C(F)(F)F)Nc1nc2c(s1)CCCCC2	PC-id_112807958	376.417	NMCLMAPVFRMGAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099045
O=S(=O)(Nc1nc2c(s1)CCCCCC2)c1cc(F)c(F)c(F)c1	ZINC22_437386090	376.417	FIUVOMKLIYZHEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099046
c1(NC(=O)C(C)Oc2ccc(cc2F)F)sc2c(CCCCC2)c1C#N	TIMTEC133557,MCULE-9303442976,PC-id_2971122,EMOLS-id_2497355	376.42	DUTGSXOBDMKFML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099047
C[C@@H](Oc1ccc(F)cc1F)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_542530,PC-id_7346810,ZINC22_4750444	376.42	DUTGSXOBDMKFML-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099048
C[C@H](Oc1ccc(F)cc1F)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_7346809,ZINC22_4750443,CoCoCo_542529	376.42	DUTGSXOBDMKFML-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-099049
Fc1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C3CC3)C)CC2)ccc1F	PC-id_42324561	376.424	NXBZYGRBSALRQU-GFCCVEGCSA-O	00100000100000110101000000000010000000000000000000000000	31-01-099050
Fc1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C3CC3)C)CC2)ccc1F	PC-id_42324567	376.424	NXBZYGRBSALRQU-LBPRGKRZSA-O	00100000100000110101000000000010000000000000000000000000	31-01-099051
Fc1cc(C[NH+]2CCn3c(nnc3C(NC(=O)C3CC3)C)CC2)ccc1F	PC-id_74792210	376.424	NXBZYGRBSALRQU-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-099052
Fc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C3CC3)C)CC2)cccc1F	PC-id_42211598	376.424	DVCSMGHZWOIAOX-GFCCVEGCSA-O	00100000100000110101000000000010000000000000000000000000	31-01-099053
Fc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C3CC3)C)CC2)cccc1F	PC-id_42211600	376.424	DVCSMGHZWOIAOX-LBPRGKRZSA-O	00100000100000110101000000000010000000000000000000000000	31-01-099054
Fc1c(C[NH+]2CCn3c(nnc3C(NC(=O)C3CC3)C)CC2)cccc1F	PC-id_74781551	376.424	DVCSMGHZWOIAOX-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-099055
FC(F)Oc1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)cc1	ChEMBL-DNDi_CHEMBL1622558,MCULE-3602244398,CoCoCo_3697589,ZINC22_3236053,PC-id_2353878	376.424	YPZOJRDIUZHPRT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099056
s1c2CCCCCCc2nc1NC(=O)c1cc2[nH]c(nc2cc1)C(F)F	PC-id_56472181	376.424	HEQXYAQBMIJAPE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099057
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(c(F)c1)OC	MCULE-6930385989,ZINC22_82139136,EMOLS-id_44446915,PC-id_70771853	376.425	JYFDTPXTKRRQPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099058
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cc(F)ccc1OC	EMOLS-id_44448053,MCULE-9829157683,PC-id_70775091,ZINC22_82147294	376.425	WWZFGINIKSJTCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099059
CCN(Cc1ccc(OC)c(F)c1)C(=O)Cn1nc2n(c1=O)CCCCC2	CoCoCo_4757814,MCULE-8827597152,ZINC22_30559121,PC-id_37671299,EMOLS-id_24001191	376.425	DXADDIWBWFDGDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099060
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)COc1ccc(F)cc1	MCULE-8449060964,PC-id_91764026,EMOLS-id_55614037	376.425	GUWZYSYHQXNGFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099061
CN(C[C@H](c1nn2c(c1)CN(CCC2)C(=O)COc1ccc(cc1)F)O)C	PC-id_100021337	376.425	GUWZYSYHQXNGFP-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099062
CN(C[C@@H](c1nn2c(c1)CN(CCC2)C(=O)COc1ccc(cc1)F)O)C	PC-id_100021340	376.425	GUWZYSYHQXNGFP-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099063
CN(CC(=O)N1CCCn2nc(cc2C1)C(O)CO)Cc1ccc(F)cc1	MCULE-6626531103,PC-id_90653418,EMOLS-id_50548223	376.425	DIMOKYQBHSJYST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099064
CN(CC(=O)N1CCCn2nc([C@H](O)CO)cc2C1)Cc1ccc(F)cc1	ZINC22_221395958,PC-id_100067690	376.425	DIMOKYQBHSJYST-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099065
CN(CC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1)Cc1ccc(F)cc1	ZINC22_221396011,PC-id_100067691	376.425	DIMOKYQBHSJYST-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099066
COc1cc(ccc1F)C(=O)N1CCCn2nc(cc2C1)C(O)CN(C)C	MCULE-6104201172,EMOLS-id_50531891,PC-id_90648991	376.425	PXTUHWVEODBOIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099067
COc1cc(C(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)ccc1F	PC-id_100040134,ZINC22_219383254	376.425	PXTUHWVEODBOIV-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099068
COc1cc(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)ccc1F	ZINC22_219383172,PC-id_100040132	376.425	PXTUHWVEODBOIV-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099069
COCCCNC(=O)C1CCCCc2nn(Cc3cccc(F)c3)c(=O)n12	MCULE-3507987959,EMOLS-id_207869496	376.425	MHLWGIICSFJJRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099070
n1n2CCCN(CCC(=O)NCc3ccc(cc3)F)Cc2cc1C(CO)O	PC-id_91784128,MCULE-5362742783,EMOLS-id_55671743	376.425	WOJPRSGEMWAFBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099071
O=C(CCN1CCCn2nc([C@@H](O)CO)cc2C1)NCc1ccc(F)cc1	PC-id_100101962,ZINC22_222505214	376.425	WOJPRSGEMWAFBS-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099072
O=C(CCN1CCCn2nc([C@H](O)CO)cc2C1)NCc1ccc(F)cc1	ZINC22_230578410	376.425	WOJPRSGEMWAFBS-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099073
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NCc1occc1	PC-id_2669534	376.427	KHCXADUBNGUVNR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-099074
s1c2c(CCCCC2)c(c1NC(=O)c1occc1)C(=O)NC(=O)OCC	PC-id_7521921	376.427	QOTZCIUEWDAVOV-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-099075
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1[nH]ccc1)C(=O)OC	PC-id_8545908	376.427	GGZHWLZUSQMOBT-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-099076
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=CC(=O)OCC)C#N	PC-id_3978674	376.427	SIGOKIGQORONJI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-099077
s1c2CCCCCCc2cc1C(=O)OCC(=O)NNC(=O)c1occc1	PC-id_7618413	376.427	KXKWCBXLMFUYPW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-099078
c1(C(=O)NC)cn2c(CCN(CC2)C(=O)c2ccc(cc2)S(=O)(=O)C)n1	MCULE-9933173020,ZINC22_1875242219,EMOLS-id_331105032	376.43	NHMCMYWGXQKYCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099079
c1(C(=O)N)cn2c(CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)n1	EMOLS-id_331137324,ZINC22_1875248504,MCULE-2956271883	376.43	UNABSIXMPFRUGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099080
Cc1onc(c1)C(=O)N1CCc2c(CC1)nc(s2)C(=O)N1CCOCC1	PC-id_97524721	376.43	OJRZAPJEVQNRJY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099081
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3CCCCCc23)cc1	EMOLS-id_335121027,MCULE-2717236338	376.43	UBPLLQCVDUPSBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099082
CN1CCN(CC1)C(=O)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_316704871	376.457	GPWXADPKYGBPGQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099219
Cn1c2cc(ccc2oc1=O)S(=O)(=O)NCc1n[nH]c2CCCCCc12	ZINC22_670448367,EMOLS-id_222765166,MCULE-4731962355	376.43	ARHMNNFYMONTFS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099083
COc1c(cc(cc1)CNC(=O)Nc1nc2c(s1)C(=O)NCCC2)OC	PC-id_90625553	376.43	SSRYWEDKEGCWBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099084
COc1cc(OC)ccc1CNc1nc2c(s1)C(=O)N(CC(=O)N2C)C	PC-id_142739029	376.43	MHJZDIQPYILEGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099085
CS(=O)(=O)N(Cc1cc2ccccc2o1)Cc1nnc2n1CCOCC2	EMOLS-id_320274902,MCULE-3680120015,ZINC22_1615549644	376.43	IOKZAHVRTRZWSM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099086
Fc1ccc(n2nc(c(C=C(c3n4CCCCCc4nn3)C#N)c2C)C)cc1	PC-id_84988759	376.43	JPURLQGEGGUNIH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099087
Fc1ccc(n2nc(c(/C=C(/c3n4CCCCCc4nn3)C#N)c2C)C)cc1	PC-id_9353366	376.43	JPURLQGEGGUNIH-FOWTUZBSSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099088
s1c2CCCCCc2nc1NC(=O)CNC(=O)CNC(=O)c1occc1	PC-id_24611836	376.43	PJHXUZVMXKPKTD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-099089
Cc1ccccc1Nc1nc2c(s1)C=NNC(=O)/C/2=Cc1ccccc1O	PC-id_135829271	376.432	PCVZLPDIMSVHJE-UVTDQMKNSA-N	00000000100000110111000000000010000000000000000000000000	31-01-099090
s1c2=CNNC(=O)C(=c2nc1Nc1c(cccc1)C)/C=C
/C(=O)C=CC=C1	PC-id_16742286	376.432	ZLSLMQMGTZMBLS-JLHYYAGUSA-N	00000000100011110111000000000010000000000000000000000000	31-01-099091
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1cccc2nonc12	MCULE-2670679395,PC-id_70757212,ZINC22_82126815,EMOLS-id_44441927	376.433	QLLYUHPCXPORLH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099092
COc1nccc(NCc2cc3CN(CCCn3n2)S(=O)(=O)C)c1C#N	PC-id_70780183,MCULE-7528951151,ZINC22_82157375,EMOLS-id_44449843	376.433	YCMGTMXJBWMGLF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099093
Nc1c(C(=O)CSc2nnc3n2CCCCC3)c(=O)[nH]c(=O)n1C1CC1	EMOLS-id_11801652,MCULE-4702342783,CoCoCo_4311490,CoCoCo_4311485,ZINC22_12567639,PC-id_16357167	376.433	MTVOUAVPESAPDB-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-099094
O/C(=CSc1nnc2n1CCCCC2)/c1c(=O)[nH]c(=O)n(c1N)C1CC1	CoCoCo_4311486,CoCoCo_4311489	376.433	CXHQCDCCYSELQK-NTMALXAHSA-N	00100000100000100101100000000010000000000000000000000000	31-01-099095
O/C(=C/Sc1nnc2n1CCCCC2)/c1c(=O)[nH]c(=O)n(c1N)C1CC1	CoCoCo_4311488,CoCoCo_4311487	376.433	CXHQCDCCYSELQK-CSKARUKUSA-N	00100000100000100101100000000010000000000000000000000000	31-01-099096
c1(NC(=O)C(F)(F)F)sc2c(CCCCCCCCCC2)c1C(=O)N	ZINC22_5517209,EMOLS-id_5126360,SCHEMBL4132192,TIMTEC362586,PC-id_4639569,CoCoCo_6922282,SPECS-id_AK-968/15603582,MCULE-6780986268	376.437	OQEWIDMGLMRTAQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-099097
CN1CCN(CC1)C(=O)C1CN(Cc2ncnn2C1)C(=O)c1csnn1	EMOLS-id_313785750	376.437	XAAJKBCEYBGUPB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099098
CN1CCN(C(=O)[C@@H]2CN(C(=O)c3csnn3)Cc3ncnn3C2)CC1	ZINC22_1565547763	376.437	XAAJKBCEYBGUPB-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099099
CN1CCN(C(=O)[C@H]2CN(C(=O)c3csnn3)Cc3ncnn3C2)CC1	ZINC22_1614931231	376.437	XAAJKBCEYBGUPB-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-099100
O=C(Nc1nc2c(s1)CCCCC2)NCC1CCN(C1)CC(F)(F)F	EMOLS-id_97852977	376.44	FSHIKBJNWBMIKI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099101
c12CN(CCC)CCCn1nc(CNC(=O)CCc1ccc(c(F)c1)F)c2	PC-id_70718665,ZINC22_82097094,MCULE-1615022187,EMOLS-id_44428347	376.443	JQASBPYAHNDZDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099102
Cc1nn(C)c(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c1C(F)F	ZINC22_333900125,MCULE-5356284137,EMOLS-id_101848663	376.445	BKQPJDZNBZOKNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099103
s1c2CCCCCc2cc1C(=O)NNC(=O)C(Oc1ccc(F)cc1)C	PC-id_55349104	376.445	YXMCDHTUDZXAFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099104
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](OC)c1ccc(F)cc1)C(=O)N	PC-id_52434302	376.445	CFHLPFHHZLXHCE-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099105
s1c2c(CCCCC2)c(c1NC(=O)[C@H](OC)c1ccc(F)cc1)C(=O)N	PC-id_52434303	376.445	CFHLPFHHZLXHCE-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099106
s1c2c(CCCCC2)c(c1NC(=O)C(OC)c1ccc(F)cc1)C(=O)N	PC-id_75846930	376.445	CFHLPFHHZLXHCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099107
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(F)c(OC)cc1	PC-id_8408567	376.445	UZOWEQUFNMYBMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099108
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(F)cc(OC)cc1	PC-id_24462197	376.445	DZKFVLQNBBVRGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099109
s1c2CCCCCCc2cc1C(=O)NNC(=O)COc1ccc(F)cc1	PC-id_9441608	376.445	NVSHCCZYCIDKRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099110
s1c2CCCCCCc2cc1C(=O)NNC(=O)COc1cc(F)ccc1	PC-id_24409815	376.445	XDLSFGOCOXEEDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099111
s1c2CCCCCCc2cc1C(=O)NNC(=O)COc1c(F)cccc1	PC-id_9441586	376.445	YZABZRHSJXLYLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099112
CCNC(=NCc1cc(F)ccc1F)NCCc1nnc2n1CCCCC2	PC-id_111901621	376.447	UTABPDRDCGCSFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099113
CN=C(NCc1cc(F)ccc1F)NCCCc1nnc2n1CCCCC2	PC-id_111902113	376.447	NBXKPGAPWZXBOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099114
s1c2c(CCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)OC	PC-id_78470212	376.447	ITTIIEUOMHMQAO-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-099115
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OC	PC-id_7302928	376.447	ITTIIEUOMHMQAO-VXGBXAGGSA-M	00000000100011000100000000000010000000000000000000000000	31-01-099116
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OC	PC-id_7302929	376.447	ITTIIEUOMHMQAO-NWDGAFQWSA-M	00000000100011000100000000000010000000000000000000000000	31-01-099117
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OC	PC-id_7302931	376.447	ITTIIEUOMHMQAO-NEPJUHHUSA-M	00000000100011000100000000000010000000000000000000000000	31-01-099118
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OC	PC-id_7302933	376.447	ITTIIEUOMHMQAO-RYUDHWBXSA-M	00000000100011000100000000000010000000000000000000000000	31-01-099119
Fc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCOC)C)CC2)cc1	PC-id_42441268	376.448	YRSXYJVTQSXPFP-AWEZNQCLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-099120
Fc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)cc1	PC-id_42441271	376.448	YRSXYJVTQSXPFP-CQSZACIVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-099121
Fc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)cc1	PC-id_74803733	376.448	YRSXYJVTQSXPFP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-099122
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCN1CCCCCC1=O	EMOLS-id_43150452,MCULE-1884237899,PC-id_56906939,ZINC22_72462702	376.45	HIGKVEHHNUAFLR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099123
n1c(CNC(=O)CCC2(CCC(=O)N2)CCC(=O)O)c2c(CCCCC2)[nH]1	PC-id_91767052,MCULE-6664146526,EMOLS-id_55622616	376.45	CJFRUJYECIKZFQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099124
O1CCN(CCOCCOCc2[nH]c(COCC1)cn2)Cc1ncccc1	PC-id_10362180	376.45	KAGPWRVEZYLQQA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099125
O=C(N1CCN(CC1)C(=O)c1noc2c1CCCCC2)CN1CCOCC1	EMOLS-id_111824347	376.45	GFZYJIOCHFZLLQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099126
O=C(N1CCOCC1)CN1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111823614	376.45	KEGFOONSRKZRRV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099127
O=C(O)CC[C@@]1(CCC(=O)NCc2n[nH]c3c2CCCCC3)CCC(=O)N1	PC-id_100031474,ZINC22_218987964	376.45	CJFRUJYECIKZFQ-LJQANCHMSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099128
O=C(O)CC[C@]1(CCC(=O)NCc2n[nH]c3c2CCCCC3)CCC(=O)N1	PC-id_100031475,ZINC22_218987991	376.45	CJFRUJYECIKZFQ-IBGZPJMESA-N	00000010100000000101000000000010000000000000000000000000	31-01-099129
O=C(O)CCNC(=O)c1cc2n(c1)CCCN(CCC1CCNCC1)C2=O	BindingDB_PC-id_44362908,PC-id_44362908,CHEMBL145359	376.45	MQULHUKGEYNXKD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099130
c1ccc(CCc2nnc3n2CCN(Cc2ccc4c(c2)OCO4)CC3)cc1	CoCoCo_1427325,EMOLS-id_36589578,MCULE-8812058798,CoCoCo_1427324,ZINC22_19340590,PC-id_28139995	376.452	CRWOUKCXLHLVHK-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-099131
C1CN(CCc2c1nc(o2)C(=O)Nc1cnccc1)CCCc1ccccc1	PC-id_134808287	376.452	HWVYGNHBMSXSEO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099132
C1CN(CCn2c1ncc2C(=O)NCc1ccccc1)Cc1ccccc1O	PC-id_134807431	376.452	RZKOPAPPGHUTHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099133
C1CN(CCn2c1ncc2C(=O)NCc1ccccc1)Cc1cc(ccc1)O	PC-id_134808262	376.452	SSGSREIPZDZEHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099134
c1(C(=O)Nc2ccccc2)cc2n(CCCN(C2)C(=O)[C@H]2C[C@H]3C[C@@H]2C=C3)n1	PC-id_50976796,ZINC22_65469697,MCULE-8310328405,EMOLS-id_32422330	376.452	FQFIZFHVTDWUCW-GJYPPUQNSA-N	00000011100000110101000000000110000000000000000000000000	31-01-099135
c1(C(=O)Nc2ccccc2)cc2n(CCCN(Cc3cc(C)ccc3O)C2)n1	ZINC22_65493172,MCULE-9189815199,PC-id_50978580,EMOLS-id_32425684	376.452	NUFHJTTZPVNUIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099136
c1(C(=O)NC2CCS(=O)(=O)C2)cn2c(CCN(CC2)S(=O)(=O)C)n1	MCULE-7864849964,EMOLS-id_336463041	376.452	YQFMMWFAPVFJGZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099137
Cc1ccccc1CN1CCc2c(CC1)oc(n2)C(=O)NCc1ccncc1	PC-id_134806921	376.452	ZFTCBUBGAHYOQL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099138
Cc1ccc(c(c1)OCc1ccccc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316607853	376.452	DYAFILHWNABADM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099139
Cc1c(O)cccc1C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	ZINC22_67884008,MCULE-3075191813,PC-id_56711854,EMOLS-id_36443748	376.452	SYBPBVQGDPLINR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099140
CC(c1ccc(cc1)Oc1ccccc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320115484,MCULE-8035725746	376.452	VFTDDZJQINIQJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099141
CN(Cc1nnc2n1CCCCC2)C(=O)c1ccc(Oc2ccccc2)cc1	CoCoCo_4524789,PC-id_17461460,EMOLS-id_13510472,MCULE-3932872386,ZINC22_14182644	376.452	KZCVJGSZFWZRNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099142
COc1ccccc1CN1CCc2ncc(n2CC1)C(=O)Nc1ccccc1	PC-id_134809256	376.452	GBADLXVENNHNBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099143
COc1ccccc1C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	EMOLS-id_36452013,MCULE-7970360493,PC-id_56715865,ZINC22_67804638	376.452	BVTIHFIDAKCDQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099144
COc1ccc(cc1)NC(=O)c1cnc2n1CCN(CC2)Cc1ccccc1	PC-id_134806199	376.452	YSYIYNTXSXRFGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099145
COc1cccc(c1)NC(=O)c1cnc2n1CCN(CC2)Cc1ccccc1	PC-id_134807140	376.452	FREMSGAAWJQWDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099146
CS(=O)(=O)N1CCc2nc(C(=O)N[C@H]3CCS(=O)(=O)C3)cn2CC1	ZINC22_1940197201	376.452	YQFMMWFAPVFJGZ-JTQLQIEISA-N	00000010100000000101000000000010000000000000000000000000	31-01-099147
CS(=O)(=O)N1CCc2nc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cn2CC1	ZINC22_1940197202	376.452	YQFMMWFAPVFJGZ-SNVBAGLBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099148
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)Cc1ccc(cc1)O	EMOLS-id_36444884,ZINC22_67677256,PC-id_56712395,MCULE-6970198577	376.452	MHWJMUZOPZECCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099149
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)CCc1ccccc1	MCULE-7143163001,EMOLS-id_239629084	376.452	DUCNFUODJKRGHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099150
n1c(Cc2ccccc2)nn2CCN(C(=O)CCOc3ccccc3)CCc12	ZINC22_2356169330,EMOLS-id_337829515,MCULE-8712409220	376.452	PWXAELZCBWHTKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099151
O1Cn2nncc2CC[C@H](Cc2ccc(cc2)c2ccccc2)C(=O)NCC1	PC-id_71759562	376.452	YYYZKQHYMTWHLL-HXUWFJFHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099152
Oc1ccc(c(c1)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2)C	EMOLS-id_319112283	376.452	FCZNJUNSLUNBKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099153
O=c1n2CCCCCc2nn1CC(=O)N(c1c(c2ccccc2)cccc1)C	PC-id_56120073	376.452	QBCDBDDAEDUYTD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099154
OC(c1ccc(cc1)c1ccccc1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319261706	376.452	PRYYNOBWRIHQPP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099155
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)COCc1ccccc1	EMOLS-id_319523755	376.452	DZOJAZVLWPACTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099156
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1Oc1c(C)cccc1C	EMOLS-id_278121283	376.452	NVLCHYCLHUVHPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099157
O=C(C1CCn2c(CC1)nnc2)NC(c1ccccc1)COc1ccccc1	EMOLS-id_319507180	376.452	VNWAWFOUZMRTMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099158
O=C(C1CCn2c(CC1)nnc2)NCc1cccc(c1)OCc1ccccc1	EMOLS-id_319725683	376.452	OUVOJCJVYFRUQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099159
O=C(C1CCn2c(CC1)nnc2)NCCOc1ccccc1c1ccccc1	EMOLS-id_320299896,MCULE-1421599282	376.452	JLBVVFOICWEEDB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099160
O=C(C(c1ccccc1)Cc1cnc2c(c(=O)c1)cn[nH]2)N1CCCCCC1	PC-id_142117629	376.452	QPFHBDCPJBWOLL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-099161
s1c2c(CCCCC2)c(c1NC(=O)CN[C@H](c1occc1)C)C(=O)OC	PC-id_8919000	376.47	ZDGWQEGEFXJDOA-LBPRGKRZSA-N	00000000101000000100000000000010000000000000000000000000	31-01-099240
O=C(Cn1nc2n(c1=O)CCCCC2)NC(c1ccccc1)c1ccccc1	ZINC22_8744601,PC-id_17420439,MCULE-9822931204,CoCoCo_4406383,EMOLS-id_11962620	376.452	OKZLLPRVJWRTSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099162
O=C(N1CCCn2nc(cc2C1)C(=O)Nc1ccccc1)C1C2CC(C1)C=C2	PC-id_75594024	376.452	FQFIZFHVTDWUCW-UHFFFAOYSA-N	00000011100000110101000000000110000000000000000000000000	31-01-099163
O=C(NCc1n2CCCCCc2nn1)c1c(COc2ccccc2)cccc1	PC-id_24676705	376.452	LBKHOLIFKLRQBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099164
O=C(NCc1nnc2n1CCCCC2)c1cc(Cc2ccccc2)ccc1O	EMOLS-id_44563203,ZINC22_72067427,PC-id_60620657,MCULE-7502213059	376.452	KJMNXIAVWMFVHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099165
O=C(NCCc1n2CCCCCc2nn1)c1cc(Oc2ccccc2)ccc1	PC-id_51304485	376.452	AZWHOJSZBOPNPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099166
O=C(NCCc1n2CCCCCc2nn1)c1c(Oc2ccccc2)cccc1	PC-id_51304490	376.452	VBHHWVCEKXHSQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099167
O=C(NCCc1nnc2n1CCCCC2)c1ccc(Oc2ccccc2)cc1	PC-id_17481663,EMOLS-id_13576662,ZINC22_14249244,MCULE-5750856322,CoCoCo_4491025	376.452	FDJMLOQULBUIJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099168
OC(=O)c1ccc(cc1)CNc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_72769501,MCULE-3446413043,PC-id_122032926	376.452	LBBGXBXEKRYPPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099169
OC(=O)c1cccc(c1)CNc1ccc(cc1)Cc1nnc2n1CCCCC2	PC-id_122032925,EMOLS-id_72769499,MCULE-3595809035	376.452	YPWMCSKTOWQJHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099170
c12CN(CCCn1nc(CNC(=O)C(C)N1CCCC1=O)c2)C(=O)N(C)C	MCULE-3596437078,PC-id_70723898,EMOLS-id_44430213	376.453	CDSZKKZESXQPLX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099171
c12nnnn1CCCCC2C(=O)N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)CCOC)C2	MCULE-5441692692,EMOLS-id_324104776	376.453	NFNHHURGBYYWKQ-BHIYLFKSSA-N	00000010100010000101000000000110000000000000000000000000	31-01-099172
c1(C(=O)NC2CCCNC2=O)cn2c(CCN(CC2)C(=O)NCCCC)n1	EMOLS-id_331129663,MCULE-8113624842	376.453	WQQXSSVIQDQJPZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099173
CC(C)CN1CCCn2nc(CNC(=O)CCC3NC(=O)NC3=O)cc2C1	EMOLS-id_44447065,PC-id_70772283,MCULE-3644179091	376.453	KXXIGQFDOMHZAI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099174
CC(C)CN1CCCn2nc(CNC(=O)CC[C@H]3NC(=O)NC3=O)cc2C1	ZINC22_82139241,PC-id_96579810	376.453	KXXIGQFDOMHZAI-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099175
CC(C)CN1CCCn2nc(CNC(=O)CC[C@@H]3NC(=O)NC3=O)cc2C1	ZINC22_82139242,PC-id_96579811	376.453	KXXIGQFDOMHZAI-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099176
CCCCNC(=O)N1CCc2nc(C(=O)N[C@@H]3CCCNC3=O)cn2CC1	ZINC22_1875251574	376.453	WQQXSSVIQDQJPZ-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099177
CCCCNC(=O)N1CCc2nc(C(=O)N[C@H]3CCCNC3=O)cn2CC1	ZINC22_1875251575	376.453	WQQXSSVIQDQJPZ-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099178
C[C@H](C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2)N1CCCC1=O	PC-id_96573699,ZINC22_82098579	376.453	CDSZKKZESXQPLX-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099179
C[C@@H](C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2)N1CCCC1=O	ZINC22_82098578,PC-id_96573698	376.453	CDSZKKZESXQPLX-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099180
s1c2c(CCCCC2)c(c1NC(=O)CN[C@@H](c1occc1)C)C(=O)OC	PC-id_8919003	376.47	ZDGWQEGEFXJDOA-GFCCVEGCSA-N	00000000101000000100000000000010000000000000000000000000	31-01-099241
CN1CCN(CC1)C(=O)C1CN(Cc2ncnn2C1)C(=O)CC1(O)CCC1	EMOLS-id_313785494	376.453	CMUFUFSFRDSXQH-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-099181
CN1CCN(C(=O)[C@@H]2CN(C(=O)CC3(O)CCC3)Cc3ncnn3C2)CC1	ZINC22_1565553729	376.453	CMUFUFSFRDSXQH-CQSZACIVSA-N	00001000100010000101000000000010000000000000000000000000	31-01-099182
CN1CCN(C(=O)[C@H]2CN(C(=O)CC3(O)CCC3)Cc3ncnn3C2)CC1	ZINC22_1614932971	376.453	CMUFUFSFRDSXQH-AWEZNQCLSA-N	00001000100010000101000000000010000000000000000000000000	31-01-099183
CN(C)CCN(Cc1ccco1)C(=O)Cn1nc2CCC(N)CCn2c1=O	PC-id_91922751,EMOLS-id_50590588	376.453	SOINSARRYUJYNZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-099184
COCCC(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)C1CCCCn2c1nnn2	PC-id_146046606	376.453	NFNHHURGBYYWKQ-KKNUOHPOSA-N	00000010100010000101000000000110000000000000000000000000	31-01-099185
COCCC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCn2nnnc12	ZINC22_1857670050	376.453	NFNHHURGBYYWKQ-CTASWTNQSA-N	00000010100010000101000000000110000000000000000000000000	31-01-099186
COCCC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCCn2nnnc12	ZINC22_1857670051	376.453	NFNHHURGBYYWKQ-KNCOVGOOSA-N	00000010100010000101000000000110000000000000000000000000	31-01-099187
NC(=O)c1cn2CCN(CCc2n1)S(=O)(=O)c1cc2ccccc2s1	MCULE-3692921556,ZINC22_1875248874,EMOLS-id_331150122	376.453	UUQMIPQKSMEQHR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099188
O=C(N(C1CN(C1)C(=O)OC(C)(C)C)C1CC1)C1CCn2c(CC1)nnn2	MCULE-1437128542,EMOLS-id_258120159	376.453	GLBYSQMSJITZJJ-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-099189
O=C(NCc1nn2c(CN(CCC2)CC(C)C)c1)CC1CNC(=O)NC1=O	PC-id_78082701	376.453	ZSJHJMJBEQYJPO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099190
O=C(NCc1nn2c(CN(CCC2)CC(C)C)c1)CN1CCC(=O)NC1=O	PC-id_77918904	376.453	PIONSFCDFFDMIW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099191
s1c2CCCCCc2c(c1NC(=O)CSc1[nH]c(=O)cc(O)n1)C#N	PC-id_17307805	376.453	AOUGAQKLBYPXKB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-099192
c12CN(CCCn1nc(CNc1cc(C)nc(c3ccccc3)n1)c2)C(=O)C	EMOLS-id_44442119,MCULE-3834160144,PC-id_70757838,ZINC22_82127189	376.455	UHMKXLKHBVXGOF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099193
C1CN(CCn2c1ncc2C(=O)NCc1ccccc1)Cc1c(nccc1)N	PC-id_134806191	376.455	DSWXPPSCHXITMV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099194
c1(CN(C)C(=O)c2cccc(c2)c2cncc(N)n2)c2CCCCCc2[nH]n1	MCULE-6003169237,EMOLS-id_337785419,ZINC22_2356152480	376.455	LNNTZDQRMXHUHM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099195
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3cccc4cc[nH]c34)C2)n1	PC-id_90649566,MCULE-5490555652,EMOLS-id_50534035	376.455	OOBIJKLBUFCIBZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-099196
c1(C(=O)N2CC(C2)n2cccn2)cc2n(CCCN(Cc3ccccc3)C2)n1	MCULE-3165957211,EMOLS-id_32420912,PC-id_50976050,ZINC22_65465553	376.455	VNHBWJAVGFIPMS-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-099197
c1(C(=O)Nc2ccccc2)cc2n(CCCN(Cc3cnc(nc3)CC)C2)n1	EMOLS-id_32405334,ZINC22_65417827,PC-id_50967773,MCULE-2299025850	376.455	GVPLTQPYRZVUTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099198
c1(C(=O)Nc2ccccc2)cc2n(CCCN(C(C)Cc3cnccn3)C2)n1	MCULE-5979727230,PC-id_50949279,EMOLS-id_32370150	376.455	PIGHYFZYUGYHRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099199
Cc1ccccc1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1	CoCoCo_1455748,ZINC22_19770790,PC-id_28330965,EMOLS-id_20625147,CoCoCo_1455747,MCULE-9731339690	376.455	ZEVUJXZMLXQXAC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099200
Cc1ccccc1CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	MCULE-3984022310,EMOLS-id_20478741,CoCoCo_1240934,PC-id_28956214,ZINC22_20453272,CoCoCo_1240933	376.455	LKQXXZGLDGCYSS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099201
Cc1nccc(c2cccc(NC(=O)NCc3n[nH]c4c3CCCCC4)c2)n1	ZINC22_95522848,PC-id_72912631,MCULE-7461752042,EMOLS-id_48642624	376.455	GZRRSVCNJZDOHY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099202
CCc1ncc(cn1)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	MCULE-2039630970,ZINC22_67770510,PC-id_56708527,EMOLS-id_36436846	376.455	QTHKILRHZVHPKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099203
C[C@@H](Cc1cnccn1)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1	PC-id_95120037,ZINC22_65371096	376.455	PIGHYFZYUGYHRS-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099204
C[C@H](Cc1cnccn1)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1	PC-id_95120038,ZINC22_65371097	376.455	PIGHYFZYUGYHRS-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099205
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc3cc[nH]c13)C2	ZINC22_219842332,PC-id_100048301	376.455	OOBIJKLBUFCIBZ-NRFANRHFSA-N	00000000100000100101000001100010000000000000000000000000	31-01-099206
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(Cc1cccc3cc[nH]c13)C2	ZINC22_219842382,PC-id_100048303	376.455	OOBIJKLBUFCIBZ-OAQYLSRUSA-N	00000000100000100101000001100010000000000000000000000000	31-01-099207
CN(C)c1ccc(cn1)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337792649,MCULE-2363252648,ZINC22_2356167617	376.455	VQSBULPUSMTERM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099208
n12CCN(CCc1nnc2CNC(=O)Cc1ccccc1)Cc1ccccn1	CoCoCo_1175949,CoCoCo_1175948,EMOLS-id_20432471,ZINC22_11790298,PC-id_42171011,MCULE-3719012205	376.455	RVWFPLZDXQIUSR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099209
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)C1CCn2c(ccn2)C1	EMOLS-id_337809528,MCULE-6582195109	376.455	ZETFDTZRSYAOEX-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-099210
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)[C@@H](N)Cc1ccncc1	EMOLS-id_337794675,ZINC22_2356163537,MCULE-6751461896	376.455	IAQPOICHXVCSRU-SFHVURJKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099211
NC(=NCc1nnc2n1CCCCC2)Nc1cccc(c1)Oc1ccccc1	PC-id_111597724	376.455	KMJGLETZSUYYCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099212
O=C(c1cccnc1)NC(c1nnc2n1CCN(CC2)Cc1ccccc1)C	PC-id_45166636,ChEMBL-DNDi_CHEMBL38327864	376.455	CYBWNCMFQIXKDS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099213
O=C([C@H]1CCn2nccc2C1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356165234	376.455	ZETFDTZRSYAOEX-KRWDZBQOSA-N	00000000100010110101000000010010000000000000000000000000	31-01-099214
O=C([C@@H]1CCn2nccc2C1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356165235	376.455	ZETFDTZRSYAOEX-QGZVFWFLSA-N	00000000100010110101000000010010000000000000000000000000	31-01-099215
O=C(N1CCCc2c(C1)cnn2C)NCc1ccc(cc1)Nc1ccncc1	EMOLS-id_316682480	376.455	JDUCBUYXAONUGC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099216
O=C(NCc1n2CCN(CCc2nn1)Cc1ccc(cc1)C)c1ncccc1	PC-id_28321377	376.455	AEHXLSZUOFBKJM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099217
O=C(NCc1n2CCN(CCc2nn1)Cc1cc(ccc1)C)c1ncccc1	PC-id_29183231	376.455	KMQMTQNZNSMGHU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099218
O=C(N1CCN(CC1)C(=O)C1CCCN1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102165208	376.457	JVEPHSOGKPBFAB-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-099220
O=C(NC1CCn2c(CC1)nnn2)NC1CCCN(C1)C(=O)N1CCCC1	EMOLS-id_102178187	376.457	BFHGQDDGZHZMGS-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-099221
O=S(=O)(c1ccc(cc1)n1cnnn1)Nc1nc2c(s1)CCCCC2	EMOLS-id_97734134	376.457	LQQZUHCDVHFIHS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099222
C1Cc2cc(c(cc2C1C(CC(=O)N1CCc2c(CC1)scc2)N)F)F	PC-id_86268942	376.463	YTMHCEMWECLFDP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-099223
OCCCOCC1(COCC(CO)(CO)C)COc2c(OC1)csc2	PC-id_66792578,SCHEMBL765730	376.465	IJPUJAYGXIYXPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099224
s1c2c(CCCCC2)c(c1Nc1sc2c(n1)ccc(F)c2)C(=O)OC	PC-id_43968587	376.468	LZFVFMLEGLONTJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099225
s1c2c(CCCCC2)c(c1Nc1sc2c(n1)c(F)ccc2)C(=O)OC	PC-id_43968427	376.468	NNULMVIVJJUTQB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099226
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCCCCC2)c1C(=O)N	MCULE-9523968814,EMOLS-id_2442467,PC-id_2931935	376.47	DIBZRFNZKOOPEM-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-099227
Cc1cc([C@](C)(O)CNC(=O)CN2CCCc3sccc3C2=O)c(C)o1	PC-id_97003450,ZINC22_84081565	376.47	BGXDXACXRLKLAS-LJQANCHMSA-N	00000000101000000100000000000010000000000000000000000000	31-01-099228
Cc1cc([C@@](C)(O)CNC(=O)CN2CCCc3sccc3C2=O)c(C)o1	ZINC22_84081568,PC-id_97003451	376.47	BGXDXACXRLKLAS-IBGZPJMESA-N	00000000101000000100000000000010000000000000000000000000	31-01-099229
Cc1cc(C(=O)N2CCCc3occc3C2)cc(S(=O)(=O)N(C)C)c1C	MCULE-2616817035,ZINC22_585083585,EMOLS-id_177243909	376.47	JEJFRWXUKYNMET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099230
NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCC2	CoCoCo_900484,PC-id_1009595,ZINC22_4894264	376.47	DIBZRFNZKOOPEM-RYUDHWBXSA-N	00000000100011000100000000000010000000000000000000000000	31-01-099231
NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_2746967,PC-id_2165255,CoCoCo_900482	376.47	DIBZRFNZKOOPEM-NEPJUHHUSA-N	00000000100011000100000000000010000000000000000000000000	31-01-099232
NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_4894267,CoCoCo_900485,PC-id_1009594	376.47	DIBZRFNZKOOPEM-VXGBXAGGSA-N	00000000100011000100000000000010000000000000000000000000	31-01-099233
NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_4894268,CoCoCo_900483,PC-id_1009593	376.47	DIBZRFNZKOOPEM-NWDGAFQWSA-N	00000000100011000100000000000010000000000000000000000000	31-01-099234
O=C(CN1CCCc2c(C1=O)ccs2)NCC(c1cc(oc1C)C)(O)C	PC-id_71870026,EMOLS-id_44573570,MCULE-6253606331	376.47	BGXDXACXRLKLAS-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-099235
O=S(=O)(c1ccccc1CN1CCCc2occc2C1)N1CCOCC1	EMOLS-id_177257216,ZINC22_585084673,MCULE-8843192983	376.47	NRAHSGZOCJKADW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-099236
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1onc(C(C)(C)C)c1	PC-id_7626793	376.47	FPYOCMABPHSKSK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099237
s1c2c(CCCCC2)c(c1NC(=O)CNC(c1occc1)C)C(=O)OC	PC-id_84871223	376.47	ZDGWQEGEFXJDOA-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-099238
s1c2c(CCCCC2)c(c1NC(=O)CN(Cc1occc1)C)C(=O)OC	PC-id_9334286	376.47	WOUQCVCWQFHYMI-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-099239
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1(O)CCCCC1)C#N	PC-id_55568194	376.47	KNMKMAWFINQKBY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-099242
s1c2CCCCCCc2nc1NC(=O)c1cc(OC)c(OC)c(OC)c1	PC-id_60571695	376.47	XGSMDFOWVODGAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099243
s1c2CCCCCCc2nc1NC(=O)c1c(OC)c(OC)c(OC)cc1	PC-id_60571721	376.47	KGMRQIJANVNIFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099244
c1(sc2c(CCCCC2)n1)NC(=O)c1ccccc1C(=O)c1ccccc1	MCULE-7764739894,EMOLS-id_334602611	376.471	XVNZPSITMDKVCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099245
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1csc(C(=O)C)c1	PC-id_70749902,ZINC22_82120866,MCULE-2560209902,EMOLS-id_44439369	376.473	QXKYCXVCUKTHGX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-099246
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc(cc1)C(=O)C	EMOLS-id_44424929,MCULE-8916473300,ZINC22_82087615,PC-id_70709019	376.473	NXQDDUGCKWKYQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099247
c1(C(=O)Nc2sc(c(C(=O)OC)n2)CC(C)C)c2CCCCCc2n[nH]1	EMOLS-id_49246876,STOCK7S-46193,ZINC22_96230817,PC-id_75356922,MCULE-5636771077,EMOLS-id_50401413	376.473	QJRKXDPQTJRZIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099248
c1(C(=O)NCc2cc3n(CCCN(CCC)C3)n2)scc2OCCOc12	MCULE-5677757849,PC-id_70708832,ZINC22_82087578,EMOLS-id_44424873	376.473	IZONGQLXHWKTRS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-099249
c1(C(=O)NC(CC)c2ccc(cc2)S(=O)(=O)C)cn2c(CCNCC2)n1	EMOLS-id_330426095,MCULE-2994994292	376.473	CVFDFXCWHZWMPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099250
Cc1ccc(cc1C)C(=O)N1CCCn2cnc(CNS(=O)(=O)C)c2C1	EMOLS-id_46182359,ZINC22_96084668,PC-id_97405491	376.473	WTVXSKNCAIQZJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099251
Cc1ccccc1CC(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	MCULE-2200670624,ZINC22_82147245,PC-id_70775042,EMOLS-id_44448029	376.473	MMDLBIYMZSVPGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099252
Cc1ccc(cc1NC(=O)NCc1n[nH]c2CCCCCc12)S(=O)(=O)C	ZINC22_97528019,EMOLS-id_49654894,PC-id_74237931,MCULE-8473209740	376.473	BZUCXEPXRWJEGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099253
Cc1ccc(cc1)S(=O)(=O)N1CCCn2nnc(COCC3CC3)c2C1	PC-id_97519067,EMOLS-id_44369504,ZINC22_96258977	376.473	HBZDMDZXNQJHBT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099254
Cc1cccc(c1)S(=O)(=O)N1CCCn2nnc(COCC3CC3)c2C1	PC-id_97519068,EMOLS-id_44369506,ZINC22_96258978	376.473	BSLDCNDHVOTHTO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099255
Cc1ccccc1S(=O)(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_50590528,PC-id_91922690,MCULE-9905951719	376.473	RDLNHNMSODFJLE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099256
Cc1cc(C)cc(c1)C(=O)N1CCCn2c(C1)c(nc2)CNS(=O)(=O)C	PC-id_97405492	376.473	HKRBFRUAPFAUPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099257
Cc1ccc(C)c(c1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_44452149,PC-id_70786771,MCULE-8824267050,ZINC22_82166814	376.473	SIWVBENRFYQZTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099258
Cc1ccc(CC(=O)N2CCCn3cnc(CNS(=O)(=O)C)c3C2)cc1	ZINC22_96259428,PC-id_97519512,EMOLS-id_44370408	376.473	HXDABXKZUSNSMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099259
Cc1ccc(C(=O)N2Cc3cccn3C[C@H](CCNS(=O)(=O)C)C2)nc1	ZINC22_585095521	376.473	VCLOTLFVQOASLQ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099260
Cc1ccc(C(=O)N2Cc3cccn3C[C@@H](CCNS(=O)(=O)C)C2)nc1	ZINC22_585095522	376.473	VCLOTLFVQOASLQ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099261
Cc1ccc(nc1)C(=O)N1CC(CCNS(=O)(=O)C)Cn2cccc2C1	EMOLS-id_313838370	376.473	VCLOTLFVQOASLQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099262
Cc1ccnc(c1)C(=O)N1CC(CCNS(=O)(=O)C)Cn2cccc2C1	EMOLS-id_313838626	376.473	IUFULBIUZZSEJM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099263
Cc1ccnc(C(=O)N2Cc3cccn3C[C@H](CCNS(=O)(=O)C)C2)c1	ZINC22_585095232	376.473	IUFULBIUZZSEJM-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099264
Cc1ccnc(C(=O)N2Cc3cccn3C[C@@H](CCNS(=O)(=O)C)C2)c1	ZINC22_585095234	376.473	IUFULBIUZZSEJM-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099265
Cc1cncc(c1)C(=O)N1CC(CCNS(=O)(=O)C)Cn2cccc2C1	EMOLS-id_313836579	376.473	CICLLJGNOBKIGD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099266
Cc1cncc(C(=O)N2Cc3cccn3C[C@H](CCNS(=O)(=O)C)C2)c1	ZINC22_585095061	376.473	CICLLJGNOBKIGD-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099267
Cc1cncc(C(=O)N2Cc3cccn3C[C@@H](CCNS(=O)(=O)C)C2)c1	ZINC22_585095062	376.473	CICLLJGNOBKIGD-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099268
Cc1nc(COC2CN(Cc3ccnn3C2)C(=O)C2CCOCC2)cs1	EMOLS-id_50011236	376.473	NDMOVFPYGUUNLJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099269
Cc1nc(CO[C@H]2CN(C(=O)C3CCOCC3)Cc3ccnn3C2)cs1	ZINC22_248035761	376.473	NDMOVFPYGUUNLJ-KRWDZBQOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099270
Cc1nc(CO[C@@H]2CN(C(=O)C3CCOCC3)Cc3ccnn3C2)cs1	ZINC22_248035764	376.473	NDMOVFPYGUUNLJ-QGZVFWFLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099271
CCc1ccc(cc1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_44443935,ZINC22_82135063,PC-id_70763174,MCULE-4217061361	376.473	CNISVANNFZKPIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099272
CCc1ccccc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70787050,ZINC22_92078245,MCULE-8710041363,EMOLS-id_44452245	376.473	OZMUMARKJMIPSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099273
CC(C)c1noc(CCCNC(=O)CN2CCCc3sccc3C2=O)n1	EMOLS-id_44566598,PC-id_71878160,ZINC22_84631118,MCULE-7613388555	376.473	OKNMMLJCJLGXMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099274
CC[C@H](NC(=O)c1cn2c(n1)CCNCC2)c1ccc(S(=O)(=O)C)cc1	ZINC22_1857715131	376.473	CVFDFXCWHZWMPM-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099275
CC[C@@H](NC(=O)c1cn2c(n1)CCNCC2)c1ccc(S(=O)(=O)C)cc1	ZINC22_1857715132	376.473	CVFDFXCWHZWMPM-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099276
CCOC(=O)c1c(C)[nH]c(c1C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3081408,CoCoCo_3081411	376.473	GZCISSBSMCLLNQ-RAXLEYEMSA-N	00000000110000000101000000000010000000000000000000000000	31-01-099277
CCOC(=O)c1c(C)[nH]c(c1C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3081410,CoCoCo_3081409	376.473	GZCISSBSMCLLNQ-JLHYYAGUSA-N	00000000110000000101000000000010000000000000000000000000	31-01-099278
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc3n2CCCCC3)c1C	ZINC22_6508930,MCULE-4270361593,PC-id_4790870,CoCoCo_3081407,EMOLS-id_3425354	376.473	BWWCXHAKNSRACV-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-099279
CCOC(=O)c1c(NC(=O)C2CCn3c(CC2)nnc3)sc(c1CC)C	EMOLS-id_278109984	376.473	JMWHAYMNMQHDIX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-099280
CC(=O)N1CCCn2nc(CNS(=O)(=O)c3cc(C)ccc3C)cc2C1	PC-id_70754421,MCULE-7978700869,EMOLS-id_44440955,ZINC22_82121919	376.473	DUFFJWQEJSIPKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099281
CCS(=O)(=O)c1ccc(cc1)C(NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319068125	376.473	BKEVKUQZSIKTAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099282
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccccc1	EMOLS-id_168607911,MCULE-6690482153	376.473	YPBRRDFQZJHNDV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099283
CN(C1CCc2nn(C)c(=O)n2CC1)S(=O)(=O)c1ccc2CCCc2c1	EMOLS-id_50590540,MCULE-4455499961,PC-id_91910875	376.473	JXBHHMSHDMLUDK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-099284
CN(c1ccccc1)CCCNS(=O)(=O)c1cn2c(c1)C(=O)NCCC2	PC-id_53182853	376.473	NWDLDOVVIJICBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099285
CN(c1ccc(cc1)C(=O)NCc1n[nH]c2CCCCCc12)S(=O)(=O)C	MCULE-9722996073,EMOLS-id_222765783,ZINC22_670448907	376.473	UVDPRLPSZZWKKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099286
COc1ccc(cc1OC)NC(=O)C(Sc1nnc2n1CCCCC2)C	EMOLS-id_3628978,PC-id_16339699,MCULE-7832397553	376.473	ZLOVFUOXJGVUDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099287
COc1ccc(NC(=O)[C@@H](C)Sc2nnc3n2CCCCC3)cc1OC	CoCoCo_4173144,ZINC22_8328377,PC-id_9453238	376.473	ZLOVFUOXJGVUDR-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099288
COc1ccc(NC(=O)[C@H](C)Sc2nnc3n2CCCCC3)cc1OC	PC-id_9453237,CoCoCo_4173143,ZINC22_8328376	376.473	ZLOVFUOXJGVUDR-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099289
COCc1nnc2n1CCC(CC2)NS(=O)(=O)c1cc2c(CCC2)cc1	PC-id_91922609	376.473	WLFXDCACWMQSNI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-099290
CS/C=C/C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCCCC3=O)C[C@H]1C	ZINC22_2325872264	376.473	PKAQRGJGSIIBIY-JDQXGDOCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099291
CS(=O)(=O)N1CCCn2nc(CNC(=O)CCc3ccccc3)cc2C1	MCULE-6039479034,ZINC22_82147637,EMOLS-id_44448217,PC-id_70775561	376.473	BWDOHESONFSGNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099292
n12CCC(CCc1nn(CC1CC1)c2=O)NS(=O)(=O)Cc1ccccc1	MCULE-1319783665,EMOLS-id_50590518,PC-id_91922686	376.473	RUTZIGDGBPOJAA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099293
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)CS(=O)(=O)C(C)C	EMOLS-id_319862539	376.473	IQQZGKHFZNMGQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099294
O=C(CN1C(=O)NC(C1=O)(C)C1CC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98549731	376.473	UUBMPTMQOVKCOU-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-099295
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)CNc1ccc(cc1)S(=O)(=O)C	EMOLS-id_318357133	376.473	VCWMXJYQIAYHDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099296
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1S(=O)(=O)C(C)C	EMOLS-id_318368669	376.473	OKOYQVHWIHZBAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099297
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCc1onc(n1)CC	PC-id_55822594	376.473	WRCIUUAITNSUJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099298
S(c1n2CCCCCc2nn1)C(C)C(=O)Nc1cc(OC)cc(OC)c1	PC-id_24371225	376.473	IBAROMJXSKIHPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099299
S(c1n2CCCCCc2nn1)CC(=O)c1c(c([nH]c1C)C)C(=O)OCC	PC-id_7876706	376.473	ZYZJEWFPKXQQGR-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-099300
S(c1n2CCCCCc2nn1)CC(=O)c1c(c([nH]c1C)C(=O)OCC)C	PC-id_16599520	376.473	QRPFTYBSBYEUON-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-099301
S(c1n2CCCCCc2nn1)C(C(=O)c1[nH]c(c(c1C)C(=O)OC)C)C	PC-id_78559283	376.473	DCALLSPPGRFKAN-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-099302
S(c1n2CCCCCc2nn1)CC(=O)NCc1cc(OC)c(OC)cc1	PC-id_7876755	376.473	CWCKDBMYHKJSRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099303
S(c1n2CCCCCc2nn1)[C@@H](C(=O)c1[nH]c(c(c1C)C(=O)OC)C)C	PC-id_7877289	376.473	DCALLSPPGRFKAN-GFCCVEGCSA-N	00000000110000000101000000000010000000000000000000000000	31-01-099304
S(c1n2CCCCCc2nn1)[C@H](C(=O)c1[nH]c(c(c1C)C(=O)OC)C)C	PC-id_7877290	376.473	DCALLSPPGRFKAN-LBPRGKRZSA-N	00000000110000000101000000000010000000000000000000000000	31-01-099305
C1CCc2nnc(n2CC1)/C(=C(/C[NH+]1CCC(=CC1)c1ccccc1)O)/C#N	PC-id_135778038	376.475	GWPZDCMRUVGDRW-VXPUYCOJSA-O	00000000100011110101100000000010000000000000000000000000	31-01-099306
O=C(C[NH+]1CCC(=CC1)c1ccccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_84829421	376.475	JWHZXQSRFNGGSA-UHFFFAOYSA-O	00000011000011110111100000000010000000000000000000000000	31-01-099307
O=C(C[NH+]1CCC(=CC1)c1ccccc1)/C(=C
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c12CN(CCCn1nc(CNC(=O)Cc1csc(C)n1)c2)C(=O)N(C)C	MCULE-1772083792,PC-id_70746940,ZINC22_82120173,EMOLS-id_44438365	376.476	YDDNAOVUCXYSDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099309
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CCOC1CCN(CC1)C(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_111959331	376.539	FDHASRWPCGBHGH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099507
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c12C(=O)NCC(O)Cn1nc(C(=O)N(CCC)Cc1cccc(Cl)c1)c2	PC-id_91841341,EMOLS-id_55692163,MCULE-4001637682	376.837	RSNHDSCEJPPAIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099569
CCCN(Cc1ccccc1Cl)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426538494	376.837	ZWTNZXHHAPPTMD-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099570
CCCN(Cc1ccccc1Cl)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426538495	376.837	ZWTNZXHHAPPTMD-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099571
CCCN(Cc1cccc(Cl)c1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244796089	376.837	RSNHDSCEJPPAIE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099572
CCCN(Cc1cccc(Cl)c1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244796090	376.837	RSNHDSCEJPPAIE-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099573
Clc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCOC)cc1	PC-id_50797966	376.837	WBDIOBXBGJZIBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099574
Clc1ccc(OCC(=O)N2CCc3nn(CC4CC4)c(=O)n3CC2)cc1	EMOLS-id_50585767,PC-id_91922450,MCULE-2248987271	376.837	NSUAZOPLOTUWTK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099575
c1(CN2CCCn3nc(CO)cc3C2)c(Cl)n(nc1c1cc(on1)C)C	ZINC22_220076097,EMOLS-id_50535569,MCULE-2153870936,PC-id_90649989	376.841	PTWFGMMWHISWEC-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-099576
Clc1cccc(c1)C1OCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102167161	376.841	IREPUZBFIGGTOW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-099577
Clc1ccc(cc1)C1OCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_303466541	376.841	IPLKBCXGFSYOID-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-099578
Clc1ccc(cc1)[C@@H]1[C@H](O)CCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102216997	376.841	CUFFBBMZOISPJL-IGLHTZBQSA-N	00000010100000110101100000000010000000000000000000000000	31-01-099579
Clc1ccc(cc1)[C@@H]1OCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161350	376.841	IPLKBCXGFSYOID-YSSOQSIOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-099580
Clc1ccc(cc1)OC1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161332	376.841	PGBWPLYOXAIHRR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-099581
Brc1sc(C(NCC)c2sc3c(CCCCC3)c2)cc1C	PC-id_80000367	384.397	ZAMQEQHLLGHXES-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104302
ClC1=CN(c2c(OC)cc(Nc3nn4CC[C@H](O)CCc4n3)cc2)CN1	PC-id_70876331,SCHEMBL13284893	376.841	MOSWBMPDZHIDHN-GFCCVEGCSA-N	00000011100000110101100000000010000000000000000000000000	31-01-099582
ClC1=CN(c2c(OC)cc(Nc3nn4CCC(O)CCc4n3)cc2)CN1	PC-id_77943101	376.841	MOSWBMPDZHIDHN-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-099583
O=C(N1CCC(C1)Oc1ccccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102166906	376.841	KYHVZNMQCAJNEB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-099584
O=C(N1CCOC(C1)c1ccccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102163162	376.841	VTPVEOCBSGIXEX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-099585
Fc1cc(CN2CC(CN3CCCC3=O)Cn3nccc3C2)ccc1Cl	EMOLS-id_50371295	376.856	CDFKDGHGVQDQEO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-099586
O=C1CCCN1C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn2C1	ZINC22_247813216	376.856	CDFKDGHGVQDQEO-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-099587
O=C1CCCN1C[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn2C1	ZINC22_247813218	376.856	CDFKDGHGVQDQEO-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-099588
Clc1ccc2nnc(CCC(=O)Nc3nc4CCCCCc4s3)n2n1	EMOLS-id_323399367,MCULE-5554040396	376.864	QLQACGKEKBBOLR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099589
Clc1ccc(Cn2c3C(O)(CCCCc3nc2C(C)C)CC(=O)O)cc1	PC-id_71205715,SCHEMBL14563199	376.877	DALIXNGRVQGFBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099590
Clc1ccc(Cn2c3C(OCC(=O)O)CCCCc3nc2C(C)C)cc1	SCHEMBL12199255,PC-id_58460199	376.877	QZZJEKZIXSDNEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099591
c12CN(CCC)CCCn1nc(CNC(=O)c1ccc(cc1OC)Cl)c2	ZINC22_82170760,PC-id_70787934,EMOLS-id_44452547,MCULE-4090390910	376.88	XOICDEXLEHKWRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099592
c12CN(CCC)CCCn1nc(CNC(=O)c1ccc(c(Cl)c1)OC)c2	EMOLS-id_44450775,ZINC22_82160886,MCULE-9328865642,PC-id_70782802	376.88	GLKPBGAHSJCKLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099593
c1(CN(C)CC(=O)Nc2ccc(c(Cl)c2)OC)c2CCCCCc2[nH]n1	MCULE-4314282732,EMOLS-id_55648555,PC-id_91835043,ZINC22_244795245	376.88	RCGKZTSPXMREML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099594
CC(C)[C@@H]1COCc2cn(CC[C@@H](C(=O)N1)Cc1cc(ccc1)Cl)nn2	PC-id_134828890	376.88	FLMSLDBRLLHVFR-QAPCUYQASA-N	00000000100000110101000000000010000000000000000000000000	31-01-099595
CC(C)[C@@H]1COCc2cn(CC[C@@H](C(=O)N1)Cc1ccc(cc1)Cl)nn2	PC-id_134828895	376.88	WCPLUHWZNWKMIC-QAPCUYQASA-N	00000000100000110101000000000010000000000000000000000000	31-01-099596
CC(O)c1cc2CN(CCC(=O)NCc3cccc(Cl)c3)CCCn2n1	EMOLS-id_55663313,PC-id_91781196,MCULE-9699220406	376.88	WBQCBADOCBBSRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099597
Clc1ccc(C[C@H]2CCc3n(nnc3)COC[C@@H](NC2=O)C(C)C)cc1	PC-id_71759955	376.88	OPPXWTKBHLLPNM-CRAIPNDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099598
Clc1ccc(C[C@@H]2CCn3nnc(COC[C@@H](NC2=O)C(C)C)c3)cc1	PC-id_71759875	376.88	WCPLUHWZNWKMIC-MAUKXSAKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099599
Clc1ccc(C[C@@H]2CCn3nnc(COC[C@H](NC2=O)C(C)C)c3)cc1	PC-id_71759992	376.88	WCPLUHWZNWKMIC-YJBOKZPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099600
Brc1sc(C(NCCC)c2sc3c(CCCCC3)c2)cc1	PC-id_63502745	384.397	MRYBWFGYAZJOQD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104303
Clc1cc(c(OCCCC(=O)NCc2n3CCCCCc3nn2)cc1)C	PC-id_51266218	376.88	UCNXDSGBDROCGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099601
Clc1c(cc(OCCCC(=O)NCc2n3CCCCCc3nn2)cc1)C	PC-id_51266258	376.88	PBVWVVIXDFYHQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099602
Clc1cc(c(OC(C(=O)NCCc2n3CCCCCc3nn2)C)cc1)C	PC-id_55535868	376.88	NMAJWALBWFIXJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099603
Clc1ccc(OC(C(=O)NCCc2n3CCCCCc3nn2)(C)C)cc1	PC-id_51304492	376.88	USSHGVNOWXFRRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099604
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)Cc1cccc(Cl)c1	MCULE-9961502768,EMOLS-id_55601968,PC-id_91759708	376.88	BURXCMJAIKFKSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099605
CN(C[C@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1cccc(c1)Cl)O)C	PC-id_100000245	376.88	BURXCMJAIKFKSX-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099606
CN(C[C@@H](c1nn2c(c1)CN(CCC2)C(=O)Cc1cccc(c1)Cl)O)C	PC-id_100000251	376.88	BURXCMJAIKFKSX-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099607
O=C(NCc1cccc(c1)Cl)CCN1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99977852	376.88	WBQCBADOCBBSRN-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099608
O=C(NCc1cccc(c1)Cl)CCN1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99977855	376.88	WBQCBADOCBBSRN-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099609
CN(C1CCc2nn(C)c(=O)n2CC1)S(=O)(=O)c1ccc(Cl)s1	EMOLS-id_50586205,PC-id_91910872,MCULE-8985026332	376.882	YGBLPLSERDTWPP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-099610
c1(c2CCCCCc2sc1NC(=O)CC)C(=O)Nc1cccc(Cl)c1	SPECS-id_AG-690/12887511,CoCoCo_138207,ZINC22_666149,MCULE-7742843704,PC-id_1007065,EMOLS-id_1280456	376.9	MTVANEOPYOMFRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099611
c1(C(=O)N(C)C)c2CCCCCc2sc1NC(=O)c1ccccc1Cl	MCULE-7693849647,ZINC22_3100265,MS2_ST015878,PC-id_2854172,EMOLS-id_1230911,CoCoCo_81721	376.9	PZMOJOUEFASOBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099612
Clc1ccc(CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)cc1	PC-id_5058852	376.9	PZTGYOXYDHVJLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099613
Clc1c(cc(NC(=O)c2sc3CCCCCCc3c2)cc1)C(=O)NC	PC-id_52272853	376.9	IKUJPFAHGVLXQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099614
Clc1cc(NC(=O)c2sc3CCCCCCc3c2)ccc1NC(=O)C	PC-id_25469313	376.9	XMGMTFIQMCLZTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099615
Clc1c(NC(=O)c2sc3CCCCCCc3c2)ccc(NC(=O)C)c1	PC-id_56440647	376.9	CNZBCCNOZARQMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099616
Clc1c(NC(=O)c2sc3CCCCCCc3c2)cc(NC(=O)C)cc1	PC-id_52705190	376.9	UVSJPMRCRPIRHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099617
CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc2c(s1)CCCCC2	PC-id_9145543,MCULE-5847772394,CoCoCo_3185244,ZINC22_8014683,EMOLS-id_25623979	376.9	LIUUXTOLDKMFFM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099618
C=C/C=C(C(Cl)N)/CC1CCCCc2c1n(C)nc2C(=O)NC1CCC1	PC-id_145479840	376.923	JCIAZEAEXUSRDD-AUWJEWJLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-099619
Clc1c(SCC(=O)Nc2sc3CCCCCc3c2C#N)cccc1	PC-id_4312442	376.923	RSSAQYCHICHTIE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099620
N#Cc1c(NC(=O)CSc2ccc(Cl)cc2)sc2c1CCCCC2	MCULE-1563561926,PC-id_2409724,CoCoCo_3037843,EMOLS-id_43763334,ZINC22_3294114	376.923	YDEBHYUEBIMILS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099621
Clc1ccc(c2nc(CSc3nnc4n3CCCCC4)cs2)cc1	EMOLS-id_11775753,MCULE-7767837989,PC-id_9450136,CoCoCo_3082000,ZINC22_8324431	376.927	IHWVRICDIYRDPF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099622
Clc1ccccc1c1nc(CSc2nnc3n2CCCCC3)cs1	CoCoCo_3082207,ZINC22_6098387,MCULE-5660777730,EMOLS-id_23990584,PC-id_7877569	376.927	YABZGXAGTQIUGD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099623
Clc1cn(nc1)CCN1Cc2n(nc(CN3CCCCCC3)c2)CCC1	PC-id_56912190	376.927	RWEPMKPCXJAOLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099624
Clc1ccc(C2(NCn3nc4n(CCCCC4)c3=S)CCCC2)cc1	PC-id_56449574	376.947	BGBQJJYNPMEPAI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-099625
Clc1ccc(s1)C1=CCN(CC1)CCCc1nnc2n1CCCCC2	SCHEMBL7961350,PC-id_59939445	376.947	AXLJZPWGJHJXAS-UHFFFAOYSA-N	00000000100111000101100000000010000000000000000000000000	31-01-099626
C1CC2=C(NC=C2S(=N)(=O)N[C@H]1CO)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_163664045	377.096	IWVLFDDWLZTXEF-RRSIMWOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099627
C1CN(CC2=CN=C(N2C1)CC3=C(C(=CC=C3)Cl)F)CC4CCOCC4	PC-id_149390289	377.167	YNJQRQZDRWTVFD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-099628
CC[C@H](C)[C@@H]1CCC2=C(N(C=C2S(=N)(=O)N1)C)C(NC3=CC=NC=C3)O	PC-id_154991341	377.189	DMPHQSWJIQGNPG-QCOWRDLLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099629
CC(C)N1C2=C(C(C(CCCC2)CC3=CC=C(C=C3)C(=O)OC)(F)F)N=N1	PC-id_155089740	377.191	KZSJDVFXRZOGPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099630
CC(C)OC(=O)C1=CC=C(C=C1)CC2CCCCC3=C(C2(F)F)N=NN3C	PC-id_155089741	377.191	GFJFSWNNNZMCCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099631
Brc1ccc2n(c1)nc(n2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102017035	377.199	PPRBRVAJUPYJPI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099632
COC(=O)CC1C(=O)Nc2c(CN1C(=O)O)c(c(s2)C)Br	SCHEMBL19260448	377.211	SLWVILAJJQMTKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099633
COC(=O)C[C@H]1C(=O)Nc2c(CN1C(=O)O)c(c(s2)C)Br	SCHEMBL19260445	377.211	SLWVILAJJQMTKE-ZETCQYMHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099634
CC1CCn2ncc(I)c2CN1C(=O)OC(C)(C)C	EMOLS-id_317497311	377.221	GDDPLAQWEOUZGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099635
C[C@H]1CCn2ncc(I)c2CN1C(=O)OC(C)(C)C	EMOLS-id_317497055	377.221	GDDPLAQWEOUZGC-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-099636
Brc1ccc2c(c1)N(CC2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163291	377.239	LXJOTHWWNWWDMK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-099637
C1C[C@@H](CN(C[C@@H]1C(=O)N2CCC3=C(CC2)NNC3=O)C4CCOCC4)N	PC-id_165418246	377.243	FHFHNYUMICSIOK-KGLIPLIRSA-N	00000000100010000101100000000010000000000000000000000000	31-01-099638
COc1ccc(c(c1Cl)Cl)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319400982	377.246	ILRGOUPBAKAIHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099639
Brc1cnc2cc(nn2c1)C(=O)N1CCc2ccsc2CC1	SCHEMBL15282730,BindingDB_PC-id_71748044,BindingDB-id_300529,PC-id_71748044	377.259	OHYAXRDMSLZLIC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099640
Brc1cnc2n(c1)nc(c2)C(=O)N1CCCc2c(C1)ccs2	EMOLS-id_319998672,MCULE-8960634346	377.259	IBWILMUHEGBEJD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099641
Brc1cccc(c1)CCCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319674943	377.279	BXRYCJKPIVHMCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099642
Brc1ccc(cc1)CCN(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_320182837,MCULE-2328883097	377.279	AKZAQOUVNGOISP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099643
Brc1ccc(c(c1)C)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101722386	377.279	BINCLHUUJGRBFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099644
Brc1ccc(cc1)C(C(=O)N1CCCc2c(C1)cnn2C)(N)C	EMOLS-id_318051926	377.279	NWSYKNZNTPRTIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099645
Brc1ccc(cc1)[C@@H](NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101688107	377.279	CBMJFQAYAKHSOG-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099646
Brc1ccc(cc1)[C@H](NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101688110	377.279	CBMJFQAYAKHSOG-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099647
Brc1ccc(cc1)C(NC(=O)C1CCn2c(CC1)nnc2)(C)C	EMOLS-id_319320278	377.279	LJIMHHDLMATYAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099648
Brc1ccc(cc1)C(NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_303377586	377.279	CBMJFQAYAKHSOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099649
Brc1cc(C)c(c(c1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101951943	377.279	IYJAMCNMVVNBST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099650
Brc1ccc(CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51304500	377.279	DUSRAQLRRDZEEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099651
Brc1cc(c(C(=O)NCCc2n3CCCCCc3nn2)cc1)C	PC-id_52337888	377.279	CQFDHCXDLXYSRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099652
Cc1ccc(c(c1)CNC(=O)N1CCCc2c(C1)cnn2C)Br	EMOLS-id_101705051	377.279	OPLHFBHHBIAVEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099653
Cc1cc(C)c(c(c1)Br)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101947719	377.279	ZHGFTYOBDVULNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099654
CCc1cc(Br)ccc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101969175	377.279	SEDFLEIHQPHLRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099655
CC(Cc1ccccc1Br)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319547417	377.279	ARBKYKHQTYEQOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099656
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(C)c(c(c1)C)Br	EMOLS-id_101863448	377.279	IALQSRUGYQUVLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099657
O=C(N1CCCc2c(C1)cnn2C)NCc1cccc(c1Br)C	EMOLS-id_101697812	377.279	NRHHNXHSTAFMFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099658
O=C(N1CCCc2c(C1)cnn2C)NCc1ccc(c(c1)C)Br	EMOLS-id_101684894	377.279	JYLCZMLWLZIVDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099659
Cc1cc(sc1Br)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316709117	377.281	BGCCMEKWDUBFLL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-099660
ICCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_113884279	377.284	KCVUCHCVSXSPIR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-099661
O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCn2c(C1)ccn2	PC-id_143775141	377.284	QPPLPBBTNWRYGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099662
O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCn2c(C1)ncc2	PC-id_143775162	377.284	DHAUVGIRPXMDKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099664
Brc1c(C=NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_78620874	377.299	NHIUGBOQIWCWHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099665
ONC(=O)CONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O	PC-id_141055249	377.306	UIWUENHXTFQJHX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-099666
Clc1cccc(c1Cl)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807946	377.309	OOSOWOAJBIZSDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099667
Clc1cccc(c1S(=O)(=O)Nc1nc2c(s1)CCCCC2)Cl	PC-id_112807947	377.309	PWEHOIYPDXQBDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099668
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)O	PC-id_17776118,SCHEMBL7313673	377.345	GKTAKIOUPFKJFX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-099669
CNOCCONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O	PC-id_141055236	377.349	FXFPBLFHJSILIB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-099670
Fc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948424	377.357	PJNMTXUGLANWKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099671
Fc1ccc(c(c1)C(F)(F)F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948427	377.357	AWURDZCSIDANMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099672
Fc1ccc(cc1S(=O)(=O)N1CCCc2c(C1)cnn2C)C(F)(F)F	EMOLS-id_101948496	377.357	SDSTWRHYPQKPMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099673
Fc1cc(ccc1S(=O)(=O)N1CCCc2c(C1)cnn2C)C(F)(F)F	EMOLS-id_101950815	377.357	PPOAGTFZTHMIDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099674
BrC(c1sc2c(CCCCC2)c1)c1c2c(sc1)cccc2	PC-id_63441495	377.362	BCNNKRKAKMHSKN-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-099675
CN(C(=O)CN(C(=O)Cn1nc2n(c1=O)CCCCC2)CC(F)(F)F)C	PC-id_87025451	377.362	MSXWQXQGRURLMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099676
c1(C(F)(F)F)[nH]c2c(cc(cc2)C(=O)NCc2c3CCCCCc3[nH]n2)n1	ZINC22_828168715,MCULE-1060002174,EMOLS-id_232850345	377.364	LPBWYLAFDHIAOI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099677
O=C(NC1CCn2c(CC1)nnn2)NCC(C(F)(F)F)N1CCOCC1	EMOLS-id_102178193	377.365	KNRUXQQUPUDQRF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099678
OC(=O)c1cc2CN(CCCn2n1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC22_67908086,EMOLS-id_32425342,PC-id_50978394,MCULE-1909170362	377.375	IVHSQGXZHKLDKB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099679
S(=O)(=O)(N1CCCn2nc(cc2C1)C(=O)O)C1C=C2NC(=O)N=C2C=C1	PC-id_75594325	377.375	MYMSALVMXUOCFF-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-099680
O=C(N1C[C@H]([C@@H](C1)C(F)(F)F)C(=O)O)Nc1nc2c(s1)CCCCC2	PC-id_122074608	377.382	XVPFPZSSFKSAEE-RKDXNWHRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099681
C1CN(CCc2c1nc(o2)C(=O)N1CCOCC1)Cc1c(ccc(c1)F)F	PC-id_134805550	377.385	QZFBJDGWDIZCLC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-099682
COC(C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)F)F)O	SCHEMBL19711702	377.385	FKJXAWJRATUYTA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-099683
c12CN(CCCn1nc(CNC(=O)c1cccc(F)c1F)c2)C(=O)N(C)C	ZINC22_91624697,EMOLS-id_46056455,PC-id_72881230,MCULE-6682873868	377.388	NNJLGWPLZNLVQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099684
Fc1c(C(=O)NCC(=O)NCCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_55534616	377.388	MHKQHKYTELEHCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099685
COC(=O)c1ccc(cc1)NCC(=O)c1cc(c2-c1ccccc2)C(=O)OC	PC-id_101134817	377.39	VNQAMTSEBYIMNR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099686
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(F)cc1	PC-id_8409380	377.39	IEGFSZWKIGUZRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099687
Fc1ccc(c(c1)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102165025	377.392	BSOYNKHRQFXVTK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-099688
O=C(N1CCN(CC1)c1cccc(c1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102163333	377.392	OKDMEBNNLPDAPC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-099689
COCCn1nc2CCN(CCn2c1=O)C(=O)c1ccc(OC)nc1OC	MCULE-5648916405,PC-id_91910649,EMOLS-id_50589969	377.395	AUNCDAHJKHOZMD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099690
O=C1C(CCn2c(N1C)ccn2)NC(=O)c1nccc(c1)Oc1ccccc1	PC-id_140764658	377.397	KSXOXPNOKLHBPJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099691
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1nccc(c1)Oc1ccccc1	SCHEMBL18372641	377.397	KSXOXPNOKLHBPJ-INIZCTEOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099692
c12CN(CCCn1nc(C#N)c2)C(=O)CCCc1onc(c2cccnc2)n1	EMOLS-id_82743367,ZINC22_426734528,PC-id_119074802,MCULE-8002679297	377.4	QAGHQIDJHQLCOD-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-099693
Cc1c2-c(c(cc2C(=O)C(F)(F)F)C=[N+](C(C)(C)C)[O-])cc(cc1)C(=C)C	PC-id_88370278,SCHEMBL8821732	377.4	IQPYBRRWWHKFIO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-099694
FC(F)(F)C(=O)c1c2-c(c(c1)C=CC(NO)(C)C)cc(ccc2C)C(=C)C	PC-id_54006341	377.4	KPDIUYFOQDOAMO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-099695
O=S(=O)(c1ccc(Sc2nnc3n2CCCCC3)cc1)C(F)(F)F	PC-id_71942210,EMOLS-id_45636243,MCULE-3150394559,ZINC22_89793779	377.405	WNZCGOOYAVNFRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099696
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)sc(n2)C(F)F	EMOLS-id_101859793	377.412	HXWIXJKLBBDNEB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099697
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1occc1)C(=O)OC	PC-id_2680638	377.412	COEKWOPUGFMHSV-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-099698
c1(C(=O)OCC)c2CCCCCc2sc1N/C=C
/C(=O)NC(=O)NC1=O	CoCoCo_1807270,STOCK3S-87217,CoCoCo_5976023,MCULE-4519345896,ZINC22_9088490,CoCoCo_1807268,PC-id_5595669,CoCoCo_5976022,CoCoCo_1807271,EMOLS-id_46521128,CoCoCo_1807269	377.415	DXWWNLQDNUTOKN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099699
c1(N=CC2C(=O)NC(=O)NC2=O)sc2c(CCCCC2)c1C(=O)OCC	MCULE-3495935336,PC-id_15999214	377.415	NYUKTSHXTNWOKZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099700
CCOC(=O)c1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)cc1	MCULE-2221604286,EMOLS-id_33086144,PC-id_53182757	377.415	MUCCYJTWWLYBFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099701
CCOC(=O)c1c(/N=CC2C(=O)NC(=O)NC2=O)sc2c1CCCCC2	CoCoCo_1807267	377.415	NYUKTSHXTNWOKZ-LSCVHKIXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099702
CCOC(=O)c1c(/N=C/C2C(=O)NC(=O)NC2=O)sc2c1CCCCC2	PC-id_45105919,CoCoCo_1807266	377.415	NYUKTSHXTNWOKZ-QGMBQPNBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099703
CCOC(=O)c1c(sc2c1CCCCC2)/N=C/c1c([nH]c(=O)[nH]c1=O)O	PC-id_135469917	377.415	KQPCFHFKGFSXMO-QGMBQPNBSA-N	00000000100000100101000000000010000000000000000000000000	31-01-099704
COc1cc(cc(c1OC)OC)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625339	377.415	IVTLKAKKKNBJLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099705
COc1cc(C(=O)Nc2nc3CCCCCc3s2)c(cc1OC)[N+](=O)[O-]	PC-id_25540522,CoCoCo_4546113,ZINC22_12827623,EMOLS-id_44038014,MCULE-9235946507	377.415	ODTUAPYPKQONBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099706
OCCN1CCCN(c2c1scc2)C(=O)c1ccc(c(c1)OC)[N+](=O)[O-]	PC-id_139709965	377.415	PIBUOZDJJBQOAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099707
s1c2c(CCCCC2)c(c1NC(=O)c1c(n(nc1)C)C(=O)O)C(=O)OC	PC-id_19496174	377.415	BZRRYLCMNFSQOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099708
s1c2c(CCCCC2)c(c1NC(=O)c1c(nn(c1)C)C(=O)O)C(=O)OC	PC-id_19498568	377.415	GZKDYTRDFSPJDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099709
s1c2c(CCCCC2)c(c1NC(=O)c1cn(nc1)CC(=O)O)C(=O)OC	PC-id_19500566	377.415	ZAUKYMARABGVHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099710
s1c2c(CCCCC2)c(c1NC(=O)c1n(ncc1)CC(=O)O)C(=O)OC	PC-id_19482424	377.415	KYGAFXLYTCBXHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099711
s1c2c(CCCCC2)c(c1NC(=O)c1nn(cc1)CC(=O)O)C(=O)OC	PC-id_19500133	377.415	RNHOMLGILLZGAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099712
s1c2c(CCCCC2)c(c1NC(=O)c1n(ncc1C(=O)O)C)C(=O)OC	PC-id_19494178	377.415	LTLQKZKVKSGCIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099713
s1c2c(CCCCC2)c(c1NC(=O)c1nn(cc1C(=O)O)C)C(=O)OC	PC-id_19498169	377.415	RYCHDGMMEVBJEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099714
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1)C)C(=O)NC(=O)OC	PC-id_16953780	377.415	IVJBFAYEMCSSSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099715
s1c2c(CCCCC2)c(c1NC(=O)c1onc(c1)C)C(=O)NC(=O)OC	PC-id_16879910	377.415	DSDUKFFSIQGDRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099716
s1c2c(CCCCC2)c(c1NC(=O)c1oncc1)C(=O)NC(=O)OCC	PC-id_41180059	377.415	YOLDVGZJTPDRDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099717
s1c2c(CCCCC2)c(c1NC(=O)Cn1nccc1C(=O)O)C(=O)OC	PC-id_19485459	377.415	BFEGYQDFRMAKKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099718
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc(cc1)C(=O)O)C(=O)OC	PC-id_19502131	377.415	DLBOIEPWHVWERV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099719
s1c2c(CCCCC2)c(c1NC(=O)Cn1ncc(c1)C(=O)O)C(=O)OC	PC-id_19502564	377.415	LNSVHVXGTXLZHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099720
c1(cn(nc1C(=O)Nc1sc2c(CCCCCC2)c1C(=O)N)C)N(=O)=O	MCULE-4599838940,EMOLS-id_4054908,PC-id_17020661,TIMTEC309188,CoCoCo_6579563,ZINC22_2779180	377.418	MIQBISOFCZYAIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099721
c1(cnn(C)c1C(=O)Nc1sc2c(CCCCCC2)c1C(=O)N)N(=O)=O	TIMTEC554536,PC-id_17020666,ZINC22_2779217,MCULE-1535418417,CoCoCo_6579578,EMOLS-id_4054906	377.418	XQIYVIBMNRAMGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099722
Cc1cc(C)c2nonc2c1S(=O)(=O)N1CCCn2nc(CO)cc2C1	EMOLS-id_55674165,MCULE-5187585746,PC-id_91784937	377.418	YGERVCSOPOLLMR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099723
O=C(c1cnccn1)NC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C	EMOLS-id_323941615,PC-id_138391830	377.418	QKJWYKCSZZJCFF-UHFFFAOYSA-N	00000000100000100111000000000010000000000000000000000000	31-01-099724
s1c2CCCCCc2cc1C(=O)NNC(=O)CCn1ncc([N+](=O)[O-])c1	PC-id_60573264	377.418	JNAIBVHOUYDIPB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099725
S(c1n2CCCCCc2nn1)CC(=O)Nc1c([N+](=O)[O-])cc(OC)cc1	PC-id_7877579	377.418	GWTJXKMYEYAKKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099726
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(OC)ccc([N+](=O)[O-])c1	PC-id_7877503	377.418	KRMGFKAGLBTTCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099727
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(OC)cc([N+](=O)[O-])cc1	PC-id_7877592	377.418	PTKFTWGWGBROSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099728
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(S(=O)(=O)c1cn[nH]c1)C2	PC-id_100210368,ZINC22_223206284	377.421	YIUPOOBHGVNSLS-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099729
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(S(=O)(=O)c1cn[nH]c1)C2	ZINC22_223206347,PC-id_100210379	377.421	YIUPOOBHGVNSLS-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099730
Cn1nccc1C(O)c1cc2CN(CCCn2n1)S(=O)(=O)c1cn[nH]c1	EMOLS-id_55691123,MCULE-3342258794,PC-id_91790773	377.421	YIUPOOBHGVNSLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099731
O=C(c1c(sc2c1CCCCCC2)NC(=O)C(F)(F)F)OC(C)(C)C	PC-id_11625036,SCHEMBL4144923	377.422	GNDXOZGSUZJROP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-099732
O=C(C1COCCN1CC(F)(F)F)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98047972	377.425	VMYVVKIYMCYDFN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099733
O=C(N1CCCC1C(C(F)(F)F)O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098349	377.425	CRAUJUHUICRHMY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099734
O=C(N1CCC(CC1)(O)C(F)(F)F)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111889874	377.425	BBEALOVBICOPED-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099735
CCCCN(c1nc2n(c1CO)CCCCC2)C(=O)c1ccc(c(c1)F)F	PC-id_143304809	377.428	RQNUEVWRCCVVCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099736
COCCNC(=O)CC1CN(Cc2ccc(F)c(F)c2)Cc2cccn2C1	EMOLS-id_313813538	377.428	PNRUPKNFSZDZDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099737
COCCNC(=O)C[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2cccn2C1	ZINC22_585099141	377.428	PNRUPKNFSZDZDE-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099738
COCCNC(=O)C[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2cccn2C1	ZINC22_585099142	377.428	PNRUPKNFSZDZDE-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099739
s1c2c(CCCCC2)c(c1NC(=O)c1c(F)cc(OC)cc1)C(=O)OC	PC-id_55762770	377.43	WODUMAJDGXTDKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099740
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(c(F)c1F)C	PC-id_70709911,ZINC22_82087865,EMOLS-id_44425273,MCULE-3158943430	377.432	KLCDEXVNOPBFQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099741
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1c(F)ccc(C)c1F	ZINC22_82121020,EMOLS-id_44439557,PC-id_70750430,MCULE-6025090462	377.432	GDTOIGQKBOFLKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099742
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(cc3F)F)CCn12	ChEMBL-DNDi_CHEMBL12889622,EMOLS-id_20409246,PC-id_45172552,MCULE-3562866270	377.432	ADVNIGBKADEOEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099743
CCC(C)C(=O)NCc1nnc2CCN(Cc3cccc(F)c3F)CCn12	MCULE-8042645889,EMOLS-id_20548481,PC-id_45204565	377.432	PHBMHFAUZMKNGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099744
CCC(C)C(=O)NCc1nnc2CCN(Cc3ccc(F)cc3F)CCn12	PC-id_45172706,MCULE-4381298962,EMOLS-id_20409842	377.432	OFALFCKUIISUQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099745
CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	PC-id_28309468,CoCoCo_1144037,ZINC22_19740049,CoCoCo_1144038	377.432	ADVNIGBKADEOEE-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099746
CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	ZINC22_19740047,PC-id_28309467,CoCoCo_1144040,CoCoCo_1144039	377.432	ADVNIGBKADEOEE-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099747
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cccc(F)c1F)CC2	CoCoCo_1341368,CoCoCo_1341370,ZINC22_20994670	377.432	PHBMHFAUZMKNGB-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099748
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cccc(F)c1F)CC2	CoCoCo_1341369,CoCoCo_1341371,ZINC22_20994667	377.432	PHBMHFAUZMKNGB-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099749
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	CoCoCo_1144848,ZINC22_19740234,PC-id_28309585,CoCoCo_1144850	377.432	OFALFCKUIISUQR-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099750
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	CoCoCo_1144849,CoCoCo_1144851,PC-id_28309584,ZINC22_19740232	377.432	OFALFCKUIISUQR-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099751
CN(CCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc(c(c1)F)F)C	EMOLS-id_319479445	377.432	MJHGOXYTUXNMQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099752
CN(CCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc(cc1F)F)C	MCULE-3214501267,EMOLS-id_320250145	377.432	NHCYOIGOAHUIRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099753
C[C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)NCc1ccc(c(c1)C)F)C	SCHEMBL21337123,PC-id_139471129	377.433	HUPDASADZDMSJQ-LBPRGKRZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-099754
CCOC(=O)c1cc(c2-c1ccc(cc2)Nc1cccc(c1)C)C(=O)OCC	PC-id_101270409	377.433	AFEMERBHOPYSGB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099755
CCOC(=O)CCCOc1ccccc1NC(=O)c1ccc2-c1ccccc2	PC-id_139818334	377.433	CZTXFFBFRGLLCJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099756
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)CCF)c1	EMOLS-id_313791294,ZINC22_1565555067	377.433	QFHRMLDBESJXNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099757
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(Nc1ccc(cc1)C)cc2)CC	PC-id_11326386	377.433	BNGLJXCMWLPSSG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099758
OC(=O)CN(C1CCCN(CC1)C(=O)c1noc2c1CCCCC2)C(=O)C	PC-id_121899417	377.435	DYFCNNXDAXKUAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099759
s1c(NC(=O)C2C3OC(C2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)N	PC-id_74533706	377.435	SOHZVDDTMVVBAV-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-099760
s1c(NC(=O)[C@@H]2[C@H]3O[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)N	PC-id_27520698	377.435	SOHZVDDTMVVBAV-PJQZNRQZSA-M	00000010100010000100000000000110000000000000000000000000	31-01-099761
s1c(NC(=O)[C@H]2[C@H]3O[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)N	PC-id_27520700	377.435	SOHZVDDTMVVBAV-DJBIQUGXSA-M	00000010100010000100000000000110000000000000000000000000	31-01-099762
s1c(NC(=O)[C@@H]2[C@@H]3O[C@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)N	PC-id_51706300	377.435	SOHZVDDTMVVBAV-QOBDMFJFSA-M	00000010100010000100000000000110000000000000000000000000	31-01-099763
s1c(NC(=O)[C@H]2[C@@H]3O[C@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)N	PC-id_51706302	377.435	SOHZVDDTMVVBAV-OAACRXHESA-M	00000010100010000100000000000110000000000000000000000000	31-01-099764
Cc1ccnc(Oc2cc(NC(=O)N3CCCc4occc4C3)ccc2C)c1	ZINC22_585083934,EMOLS-id_177247234,MCULE-2589317237	377.436	LAACXVKHQZQZEU-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-099765
Cc1nn(c2c1CN(C(CO2)COc1ccccc1)C(=O)c1ccccc1)C	PC-id_136590222,EMOLS-id_323938542	377.436	HMYGGAZLRSTBSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099766
COc1ccc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccccc1	PC-id_134805535	377.436	FPAQHANSDFWHIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099767
COc1ccccc1CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccccc1	PC-id_134807194	377.436	NWCPZGJMEBKCDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099768
Fc1ccc(cc1)C(=O)NNC(=O)[C@@H](Sc1nnc2n1CCCCC2)C	PC-id_9503757,CoCoCo_4399112	377.436	VOBOJSFKERXRSX-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-099769
Fc1ccc(cc1)C(=O)NNC(=O)[C@H](Sc1nnc2n1CCCCC2)C	PC-id_9503760,CoCoCo_4399111	377.436	VOBOJSFKERXRSX-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099770
Fc1ccc(cc1)C(=O)NNC(=O)C(Sc1nnc2n1CCCCC2)C	MCULE-9771299431,EMOLS-id_3668001,PC-id_16304038	377.436	VOBOJSFKERXRSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099771
n1c(C(CO)O)cc2CN(CCCn12)C(=O)c1ccccc1c1ccccc1	MCULE-3408652356,PC-id_91778073,EMOLS-id_55654222	377.436	NBQCKXWJRULJDR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099772
O=C(c1ccccc1c1ccccc1)N1CCCn2nc([C@@H](O)CO)cc2C1	PC-id_100057072,ZINC22_220352209	377.436	NBQCKXWJRULJDR-NRFANRHFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099773
O=C(c1ccccc1c1ccccc1)N1CCCn2nc([C@H](O)CO)cc2C1	PC-id_100057074,ZINC22_220352277	377.436	NBQCKXWJRULJDR-OAQYLSRUSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099774
O=C(Cn1nc2n(c1=O)CCCCC2)OCc1ccc(c2ccccc2)cc1	PC-id_30840359,ZINC22_23112887,EMOLS-id_24960093,CoCoCo_4692021,MCULE-3785933297	377.436	NPAAPEXDMVRCPB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099775
S(c1n2CCCCCc2nn1)CC(=O)NCC(=O)Nc1ccc(F)cc1	PC-id_7877547	377.436	HIIOCPFSXPQXFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099776
c12CN(CCCn1nc(CNC(=O)C(C)NC(=O)OC)c2)C(=O)C1CCC1	PC-id_72915170,EMOLS-id_46081273,MCULE-9105989721	377.438	PGZXVMPKVWQFIQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-099777
C1CN(CCC1NC(=O)c1nn2CC(CNC(=O)c2c1)O)C1CCOCC1	PC-id_135096314	377.438	CSFRBDYENIIXEU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-099778
c1(C(=O)N2CCCC2)cc2n(CCCN(C2)C(=O)NC(C)C(=O)OCC)n1	MCULE-4791555691,PC-id_50960274,EMOLS-id_32391196	377.438	PEACJRALYAWLPT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099779
CCOC(=O)[C@@H](C)NC(=O)N1CCCn2nc(C(=O)N3CCCC3)cc2C1	PC-id_95125537,ZINC22_65396399	377.438	PEACJRALYAWLPT-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099780
CCOC(=O)[C@H](C)NC(=O)N1CCCn2nc(C(=O)N3CCCC3)cc2C1	PC-id_95125538,ZINC22_65396400	377.438	PEACJRALYAWLPT-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099781
COC(=O)N[C@@H](C)C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2	ZINC22_91871600,PC-id_97144887	377.438	PGZXVMPKVWQFIQ-LBPRGKRZSA-N	00001000100000000101000000000010000000000000000000000000	31-01-099782
O=C(NCCc1cccc(Oc2ccccc2)c1)[C@@H]1CCCCn2nnnc12	ZINC22_97259167,PC-id_97862154	377.44	QSPXTTHACVUIHH-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099821
COC(=O)N[C@H](C)C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2	ZINC22_91871603,PC-id_97144888	377.438	PGZXVMPKVWQFIQ-GFCCVEGCSA-N	00001000100000000101000000000010000000000000000000000000	31-01-099783
O1C(CCC1)C(=O)N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55570247	377.438	KZZRXSLXCSAIDJ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-099784
O=C(O)CCNC(=O)c1cc2n(n1)CCCN(CCC1CCNCC1)C2=O	CHEMBL300097,PC-id_44295112,BindingDB_PC-id_44295112	377.438	UBPVQXLZQALJTK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099785
c12C(CCCCn1nnn2)C(=O)NCCc1cccc(c1)Oc1ccccc1	MCULE-9792690959,EMOLS-id_49642616,PC-id_74231894	377.44	QSPXTTHACVUIHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099786
c1(ccc([nH]c1=O)C)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	MCULE-2739165592,PC-id_56701321,ZINC22_67446638,EMOLS-id_36421652	377.44	MDSZVECZNFWEOV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099787
C1CN(Cc2cc(nn2C1)C(C1CC1)O)C(=O)c1cccc(c1)c1ncc[nH]1	PC-id_91765255	377.44	KUXIWAJCSPZGBJ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-099788
c1(C(=O)N2CCCC2)cc2n(CCCN(C(=O)c3ccc4c([nH]cc4)c3)C2)n1	ZINC22_67654683,EMOLS-id_32380936,PC-id_50954863,MCULE-8354881578	377.44	HOJJGENGZATGJA-UHFFFAOYSA-N	00000010100000100101000001100010000000000000000000000000	31-01-099789
c1(C(=O)NC2CC2)cc2n(CCCN(C(=O)Cc3c4ccccc4[nH]c3)C2)n1	MCULE-1256073808,EMOLS-id_32374884,PC-id_50951693,ZINC22_67514925	377.44	FONIOXZBGDLZTA-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-099790
c1(C(=O)Nc2ccccc2OCCc2ccccn2)cn2c(CCNCC2)n1	ZINC22_1857734575,EMOLS-id_330433089,MCULE-4915085690	377.44	VMFBWOJHRDEPLX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099791
c1(C(=O)N)cn2c(CCN(Cc3ccc(cc3)OCc3ccccn3)CC2)n1	EMOLS-id_336518070,ZINC22_1940197431,MCULE-3786028387	377.44	QAPXRAVDNRQCBH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099792
Cc1c(n(cc1)C)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	PC-id_137646493	377.44	WYCQTRDSEKBDJH-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-099793
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1	PC-id_51941994,ZINC22_40089595,CoCoCo_4865258	377.44	JUWCXBLNQDROQH-KBRIMQKVSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099794
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c1	ZINC22_248756342,CoCoCo_4865255	377.44	JUWCXBLNQDROQH-COXVUDFISA-N	00100000100000110101000000000010000000000000000000000000	31-01-099795
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c1	ZINC22_248756351,CoCoCo_4865257	377.44	JUWCXBLNQDROQH-XYPHTWIQSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099796
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1	ZINC22_40089593,PC-id_51941992,CoCoCo_4865256	377.44	JUWCXBLNQDROQH-XOKHGSTOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099797
CCn1ccc(cc1=O)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	MCULE-8988639390,EMOLS-id_337820210,ZINC22_2356150379	377.44	ZDJGFCVTKNGQHD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099798
CCn1ccc(cc1=O)C(=O)N1CCc2nnc(Cc3ccccc3)n2CC1	ZINC22_216451159,PC-id_77097284,MCULE-2146668475,EMOLS-id_49898961	377.44	WATUIUKMQQAEQP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099799
CCOc1ncccc1C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2100542853,EMOLS-id_337678290,MCULE-4063629175	377.44	JDLRYUWOQAKBJO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099800
Cn1ncc2c1CCCN(C(=O)Nc1ccc(OCc3cccnc3)cc1)C2	MCULE-4081372547,EMOLS-id_316209703,ZINC22_841621068	377.44	ZDDIRZLKICSJSW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099801
COc1ccc(cn1)C(=O)N1CCc2nc(CCc3ccccc3)nn2CC1	ZINC22_2356150342,MCULE-3498972113,EMOLS-id_337820990	377.44	XUANZUSRTSVALR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099802
COc1cncc(c1)CN1CCc2ncc(n2CC1)C(=O)Nc1ccccc1	PC-id_134810345	377.44	OLGWUKDGAROXHB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099803
COc1ncccc1C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	ZINC22_67540114,PC-id_56702947,EMOLS-id_36425092,MCULE-5918272353	377.44	NXYIFCMVYJJGLZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099804
n12CCCNCc1cc(CNC(=O)Nc1ccccc1Oc1ccccc1)n2	PC-id_70732656,EMOLS-id_44433311,ZINC22_82107635,MCULE-5806968441	377.44	ODWUMVYADXVXTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099805
n12CCN(CCc1nnc2CNC(=O)c1ccccc1)Cc1ccccc1O	MCULE-2139626321,PC-id_42236720,ZINC22_11869144,EMOLS-id_232720583	377.44	LTJWNMZNHUCHPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099806
n1c(Cc2ccccc2)nn2CCN(C(=O)CCn3ccccc3=O)CCc12	EMOLS-id_337776179,ZINC22_2356147671,MCULE-8154396265	377.44	ITGQQSGIQVQYHD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099807
N#CC(c1nnc2n1CCCCC2)C(=O)c1cccc(c1)NC(=O)C1CC1C	MCULE-4293251737,PC-id_45884977,EMOLS-id_30034769	377.44	JUWCXBLNQDROQH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099808
N#C[C@@H](c1nnc2n1CCCCC2)C(=O)c1cccc(c1)NC(=O)[C@@H]1C[C@@H]1C	CoCoCo_4865254,PC-id_51941995	377.44	JUWCXBLNQDROQH-IAOVAPTHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099809
N#C[C@H](c1nnc2n1CCCCC2)C(=O)c1cccc(c1)NC(=O)[C@H]1C[C@@H]1C	CoCoCo_4865259	377.44	JUWCXBLNQDROQH-JQFCIGGWSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099810
N#C[C@@H](c1nnc2n1CCCCC2)C(=O)c1cccc(c1)NC(=O)[C@H]1C[C@@H]1C	CoCoCo_4865260,PC-id_51941993	377.44	JUWCXBLNQDROQH-RRQGHBQHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099811
N#C[C@H](c1nnc2n1CCCCC2)C(=O)c1cccc(c1)NC(=O)[C@@H]1C[C@@H]1C	CoCoCo_4865261	377.44	JUWCXBLNQDROQH-XKQJLSEDSA-N	00100000100000110101000000000010000000000000000000000000	31-01-099812
O=C1CCCN1Cc1ncn2c1CN(CCC2)C(=O)c1ccc2c(c1)cc[nH]2	PC-id_97405467	377.44	DXZUFUVBQUGGEK-UHFFFAOYSA-N	00000010100000100101000001100010000000000000000000000000	31-01-099813
O=C(c1ccccc1)NCc1nnc2n1CCN(CC2)C/C=C/c1ccco1	ChEMBL-DNDi_CHEMBL26618838	377.44	PRLFSLWKDLFZMH-XBXARRHUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-099814
O=C(c1ccc(nc1)Oc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_87002466	377.44	KXFLDSQADPZKEC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099815
O=C(C1CCn2c(CC1)nnc2)NC(c1ccccc1)Cn1ccccc1=O	EMOLS-id_316699901	377.44	XMMDUCKVBPBMHV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099816
O=C(C1CCn2c(CC1)nnc2)NCc1ccnc(c1)OCc1ccccc1	MCULE-9971490915,EMOLS-id_320134998	377.44	AAYLMUCHHIIKDL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099817
O[C@H](c1cc2n(n1)CCCN(C2)C(=O)c1cccc(c1)c1[nH]ccn1)C1CC1	PC-id_100026105	377.44	KUXIWAJCSPZGBJ-IBGZPJMESA-N	00100000100000110101100000000010000000000000000000000000	31-01-099818
O[C@@H](c1cc2n(n1)CCCN(C2)C(=O)c1cccc(c1)c1[nH]ccn1)C1CC1	PC-id_100026108	377.44	KUXIWAJCSPZGBJ-LJQANCHMSA-N	00100000100000110101100000000010000000000000000000000000	31-01-099819
O=C(NCCc1cccc(Oc2ccccc2)c1)[C@H]1CCCCn2nnnc12	PC-id_97862155,ZINC22_97259168	377.44	QSPXTTHACVUIHH-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-099820
O=C(N1CCC(C2NNC(C2)CC(=O)O)CC1)C1CCCCn2nnnc12	PC-id_76406265	377.441	FIEIYCAWKZCHEY-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-099822
O=C(NC(C(C)C)c1n2CCNCCc2nn1)CN1CC(C(=O)NC1=O)C	PC-id_76406053	377.441	BWBNLIRLORTTMN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099823
c1(C(=O)N2CCn3c(CC2)nc(Cc2ccccc2)n3)nnc2CCCCn12	EMOLS-id_337813380,MCULE-2930242847,ZINC22_2356168809	377.443	OJQCSSABYPUODF-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-099824
c1(C(=O)N2CCn3c(CC2)nnc3Cc2cccnc2)c2CCCCc2[nH]n1	ZINC22_96150549,PC-id_72891711,MCULE-2673129908,EMOLS-id_49161328	377.443	WRZBUKMAOJRWOC-UHFFFAOYSA-N	00000000100010101101000000010010000000000000000000000000	31-01-099825
CCCc1ncncc1C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	MCULE-8741680607,ZINC22_216127670,EMOLS-id_49891757,PC-id_77093143	377.443	WPLHKRDXQLULGJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099826
CCC(c1nnc2n1CCCCC2)NC(=O)c1cnc(nc1)c1ccccn1	EMOLS-id_320314763,MCULE-2656937315	377.443	OCAYXQXIWSENLI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-099827
CCNc1ncc(cn1)C(=O)N1CCc2nnc(Cc3ccccc3)n2CC1	EMOLS-id_46085119,PC-id_72920483,MCULE-5549544289,ZINC22_91914836	377.443	WQQYSCLNYKWMAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099828
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)C1CCc2n(ncn2)C1	MCULE-5926902239,EMOLS-id_337837448	377.443	KFXPJRQZNYWQSI-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-099829
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)C1CCn2c(ncn2)C1	EMOLS-id_337781051,MCULE-8081160131	377.443	NKFFUEQXDYHHMO-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-099830
Nc1nccc(n1)c1ccc(c(c1)C)CNC(=O)c1nn2c(c1)CNCCC2	PC-id_118139145,SCHEMBL16793756	377.443	JNTNEOPVCQIHAG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099831
O=C([C@H]1CCc2ncnn2C1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356169876	377.443	KFXPJRQZNYWQSI-INIZCTEOSA-N	00000000100010110101000000010010000000000000000000000000	31-01-099832
O=C([C@@H]1CCc2ncnn2C1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356169877	377.443	KFXPJRQZNYWQSI-MRXNPFEDSA-N	00000000100010110101000000010010000000000000000000000000	31-01-099833
O=C([C@H]1CCn2ncnc2C1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356148245	377.443	NKFFUEQXDYHHMO-INIZCTEOSA-N	00000000100010110101000000010010000000000000000000000000	31-01-099834
O=C([C@@H]1CCn2ncnc2C1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356148246	377.443	NKFFUEQXDYHHMO-MRXNPFEDSA-N	00000000100010110101000000010010000000000000000000000000	31-01-099835
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCCCC2)c1C(=O)OC	MCULE-1264130084,SPECS-id_AK-968/13408139,PC-id_2932515,TIMTEC225868,EMOLS-id_2199722,CHEMBL1488758	377.455	ITTIIEUOMHMQAO-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-099836
COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_903157,ZINC22_4614208,PC-id_1222822	377.455	ITTIIEUOMHMQAO-VXGBXAGGSA-N	00000000100011000100000000000010000000000000000000000000	31-01-099837
COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_903158,ZINC22_4614209,PC-id_7302930	377.455	ITTIIEUOMHMQAO-NWDGAFQWSA-N	00000000100011000100000000000010000000000000000000000000	31-01-099838
COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_903160,PC-id_7302932,ZINC22_4614206	377.455	ITTIIEUOMHMQAO-NEPJUHHUSA-N	00000000100011000100000000000010000000000000000000000000	31-01-099839
COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_1222823,CoCoCo_903159,ZINC22_4614207	377.455	ITTIIEUOMHMQAO-RYUDHWBXSA-N	00000000100011000100000000000010000000000000000000000000	31-01-099840
Fc1ccc(cc1)CC1CCCCc2c1[nH]nc2C(=O)NCc1ccccc1	SCHEMBL176551,PC-id_58882650	377.455	RDPVBRHLZLVYNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099841
s1c2c(CCCCC2)c(c1NC(=O)C1=C(CCCC1)C(=O)O)C(=O)OC	PC-id_53270809	377.455	KYUDUPPGXRQFNC-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-099842
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C=CC=CC)C(=O)OC	PC-id_4208559	377.455	MVPXFHCPWOJDRR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-099843
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)/C=C/C=C/C)C(=O)OC	PC-id_6037002	377.455	MVPXFHCPWOJDRR-HFBSYCRKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-099844
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(cc1)S(=O)(=O)C	ZINC22_72474596,EMOLS-id_43162670,PC-id_56911047,MCULE-2640265849	377.458	ZUKDVQQAUISEBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099845
CCN1CCCn2c(C1=O)cc(c2)S(=O)(=O)NCc1ccccc1OC	EMOLS-id_33087184,PC-id_53182906,MCULE-2550211616	377.458	NQRRVNOPYOGJOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099846
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)NCc1ccc(OC)cc1	EMOLS-id_33087280,PC-id_53182926,MCULE-4309160257	377.458	DFFLRNYATRPREX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099847
CC(O)c1cc2CN(CCCn2n1)C(=O)CCS(=O)(=O)c1ccccc1	MCULE-1184982875,EMOLS-id_55708682,PC-id_91796740	377.458	DVILOMMLGJQDSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099848
CNC(=O)CC1CN(Cc2cccn2C1)S(=O)(=O)c1cccc(OC)c1	EMOLS-id_313729714	377.458	AEODQXIFVIKUKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099849
CNC(=O)C[C@@H]1CN(S(=O)(=O)c2cccc(OC)c2)Cc2cccn2C1	ZINC22_585098997	377.458	AEODQXIFVIKUKB-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099850
CNC(=O)C[C@H]1CN(S(=O)(=O)c2cccc(OC)c2)Cc2cccn2C1	ZINC22_585098998	377.458	AEODQXIFVIKUKB-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099851
CNS(=O)(=O)c1cc(NC(=O)CN2CCCc3occc3C2)ccc1C	EMOLS-id_177278101,MCULE-7935459991,ZINC22_585083948	377.458	UFUDRBKWIDCACQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099852
COc1ccccc1CNC(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317418846,MCULE-8659253721	377.458	YRJMYOGNGWFXDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099853
COc1cccc(CNC(=O)c2ccc3CN(CCCn23)S(=O)(=O)C)c1	EMOLS-id_317416027,MCULE-4526647722	377.458	BXGIARCRIYFYJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099854
COc1cccc(SCC(=O)N2CCCn3nc(cc3C2)C(O)CO)c1	PC-id_90649183,EMOLS-id_50532545,MCULE-9326414379	377.458	OHQDCPOCKCVMOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099855
COc1cccc(SCC(=O)N2CCCn3nc([C@H](O)CO)cc3C2)c1	PC-id_100042722,ZINC22_219520534	377.458	OHQDCPOCKCVMOG-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099856
COc1cccc(SCC(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)c1	ZINC22_219520462,PC-id_100042720	377.458	OHQDCPOCKCVMOG-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099857
O=C1NCC(Cc2c1cn(n2)CCOc1cccc(c1)S(=O)(=O)C)(C)C	MCULE-9850699215,EMOLS-id_316466958	377.458	UKJNMOPBWCKPGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099858
O=C(N1CCCc2c(C1)cco2)Nc1cccc(c1C)S(=O)(=O)N(C)C	EMOLS-id_101452411	377.458	CMAGLNQFACUEPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099859
O=C(N1CCCn2c(C1)cc(n2)[C@H](O)C)CCS(=O)(=O)c1ccccc1	PC-id_99997390	377.458	DVILOMMLGJQDSI-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099860
O=C(N1CCCn2c(C1)cc(n2)[C@@H](O)C)CCS(=O)(=O)c1ccccc1	PC-id_99997393	377.458	DVILOMMLGJQDSI-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099861
S(c1n2CCCCCc2nn1)CC(=O)c1cc(OC)c(OC)c(OC)c1	PC-id_16541830	377.458	SXLMOKGAEXMCLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099862
S(=O)(=O)(N1CCCn2nc(cc2C1)CCC(=O)O)c1cc(c(cc1)C)C	PC-id_70719615	377.458	OPECQTFANJZSEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099863
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)C(c1ccccc1)c1ccccc1	PC-id_90625398	377.459	AUQGVJULDLTHML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099864
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)Cc1ccc(cc1)c1ccccc1	PC-id_90625435	377.459	OVFTZTWZQTVVEY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099865
c1(NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCCCC2)c1C#N	ZINC22_2486381,PC-id_4433243,MCULE-5948368937,TIMTEC476245,CoCoCo_6803252,EMOLS-id_4055086	377.459	UGVWQEBQCKOXPR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099866
C=C1c2ccccc2C(=O)N1CC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_48209696,PC-id_75402375,ZINC22_95348418,MCULE-9705833046	377.459	SDKUVSPNJIKZPU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-099867
O=C(Nc1ccccc1)c1nc2CCN(CCc2s1)C(=O)c1ccccc1	ZINC22_96264713,EMOLS-id_44379258,PC-id_97524646	377.459	VYJDGZLRHNHBSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099868
O=C(CSc1nnc2n1CCCCC2)Nc1nc2ccc(F)cc2s1	ZINC22_6098026,CoCoCo_3082076,EMOLS-id_3660635,PC-id_7877316,MCULE-7256901522	377.46	AINIYKPBIXCEGC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099869
c1(cc(nn1C1CCS(=O)(=O)C1)C)NC(=O)c1c2CCCCCc2[nH]n1	EMOLS-id_49245803,STOCK7S-45633,PC-id_75488915,MCULE-3973164247	377.461	CCNWIKCDLIHIPV-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-099870
c1(C(=O)NCCc2ccc(cc2)S(=O)(=O)N)cc2n(CCCN(C)C2)n1	PC-id_50976640,MCULE-2969734831,ZINC22_65468932,EMOLS-id_32422050	377.461	NOKXNBIHEDUQMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099871
Cc1cc(NC(=O)c2n[nH]c3c2CCCCC3)n([C@@H]2CCS(=O)(=O)C2)n1	ZINC22_96223503,PC-id_97489603	377.461	CCNWIKCDLIHIPV-GFCCVEGCSA-N	00000010100000000101100000000010000000000000000000000000	31-01-099872
Cc1cc(NC(=O)c2n[nH]c3c2CCCCC3)n([C@H]2CCS(=O)(=O)C2)n1	ZINC22_96223505,PC-id_97489605	377.461	CCNWIKCDLIHIPV-LBPRGKRZSA-N	00000010100000000101100000000010000000000000000000000000	31-01-099873
Cc1cnc(cn1)C(=O)N1CC(CCNS(=O)(=O)C)Cn2cccc2C1	EMOLS-id_313837091	377.461	NMJFQSISEPEOQO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-099874
Cc1cnc(C(=O)N2Cc3cccn3C[C@H](CCNS(=O)(=O)C)C2)cn1	ZINC22_585095285	377.461	NMJFQSISEPEOQO-AWEZNQCLSA-N	00000000100000100101000000000010000000000000000000000000	31-01-099875
Cc1cnc(C(=O)N2Cc3cccn3C[C@@H](CCNS(=O)(=O)C)C2)cn1	ZINC22_585095286	377.461	NMJFQSISEPEOQO-CQSZACIVSA-N	00000000100000100101000000000010000000000000000000000000	31-01-099876
CCc1cc(ccn1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82121029,EMOLS-id_44439571,PC-id_70750481,MCULE-7689047349	377.461	WCQSGHNLZLKMEF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099877
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1cccnc1	EMOLS-id_50590552,MCULE-7053586052,PC-id_91922748	377.461	BKUJTWFFMQYMNX-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-099878
CN(Cc1n[nH]c2c1CCCCC2)C(=O)Nc1ccc(S(=O)(=O)N)cc1	EMOLS-id_68870849,MCULE-7539190733,ZINC22_299767368,PC-id_118761526	377.461	GILKTDFPWJOVBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099879
CN(C)C(=O)N1CCCn2nc(CNS(=O)(=O)c3ccccc3)cc2C1	ZINC22_82116004,MCULE-8257804685,PC-id_70744862,EMOLS-id_44437651	377.461	OEFUQHWULRXFAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099880
CN(C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C)c1ccccc1	PC-id_70772510,MCULE-2917391903,EMOLS-id_44447149,ZINC22_82139315	377.461	STNGSLKUSUOBSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099881
COC(=O)Cc1csc(n1)N(C(=O)c1cnc2n1CCCCC2)N(C)C	EMOLS-id_316511898	377.461	JOZMRFWMFJBGGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099882
CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@@H](CNc2ccccn2)C1	ZINC22_247498017	377.461	DQKRFCBIXVZEEL-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099883
CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@H](CNc2ccccn2)C1	ZINC22_247498020	377.461	DQKRFCBIXVZEEL-CQSZACIVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099884
CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@H](N)c3ccccc3)cc2C1	ZINC22_91859695,PC-id_72914478,EMOLS-id_46080771,MCULE-7734839604	377.461	PXXICLOAEQNJGO-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099885
CS(=O)(=O)N1CCCn2nc(CNC(=O)NCc3ccccc3)cc2C1	ZINC22_82134736,EMOLS-id_44443673,MCULE-1740763985,PC-id_70762444	377.461	PINXNQYCAIZBJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099886
CS(=O)(=O)NCc1ncn2c1CN(C(=O)NCc1ccccc1)CCC2	ZINC22_96259435,PC-id_97519519,EMOLS-id_44370424	377.461	FSUOEKIZSHOLAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099887
CS(=O)(=O)NCCC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337746936,ZINC22_2356134898,MCULE-2594955811	377.461	HNCCBCUZVWIBLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099888
NS(=O)(=O)Cc1cccc(NC(=O)CCc2cc3CNCCCn3n2)c1	MCULE-7541168833,EMOLS-id_43131229,PC-id_70747896,ZINC22_72433010	377.461	HAIJDVILLHMOBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099889
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(cc1)S(=O)(=O)N(C)C	EMOLS-id_319989340,MCULE-7282263529	377.461	GWDSYVJVRSEMRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099890
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1S(=O)(=O)N(C)C	EMOLS-id_316210983,MCULE-4540110208	377.461	OURFNPYEIPCNGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099891
O=S(=O)(N1CCOCC1)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337790997,MCULE-1805848848,ZINC22_2356141732	377.461	NLIGYZYCDFNIPK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-099892
S(c1n2CCCCCc2nn1)CC(=O)N(CC(=O)NCc1occc1)C	PC-id_8320288	377.461	ZOXCMWNDGGPYOY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-099893
S(=O)(=O)(N)c1cc(C(=O)NCCc2n3CCCCCc3nn2)c(cc1)C	PC-id_55535460	377.461	FHFFPBDCHXJEJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099894
S(=O)(=O)(NC)c1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55534825	377.461	QTHDHZFBQNHDRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099895
S(=O)(=O)(N(C)C)c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51185246	377.461	BHFJDKIEUUGEEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099896
S(=O)(=O)(N(C)C)c1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_51266220	377.461	LCDXLJFHKQILEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099897
N#Cc1c(NC(=O)Cc2cnn(c3ccccc3)n2)sc2c1CCCCC2	ZINC22_95350653	377.463	BKUCPPJPKUBTQK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099898
N#CC(=Cc1csc(n1)COc1ccccc1)c1nnc2n1CCCCC2	PC-id_72048062,MCULE-5595791384,EMOLS-id_32074068	377.463	CIBNWKJGDFDXEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099899
N#C/C(=Cc1csc(n1)COc1ccccc1)/c1nnc2n1CCCCC2	PC-id_94866184	377.463	CIBNWKJGDFDXEW-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099900
s1cc(nc1COc1ccccc1)/C=C(c1n2CCCCCc2nn1)/C#N	PC-id_51124119	377.463	CIBNWKJGDFDXEW-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099901
s1c(nc(/C=C(c2n3CCCCCc3nn2)/C#N)c1)c1cc(OC)ccc1	PC-id_60459725	377.463	ABLHDSXPQYOVSY-GDNBJRDFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099902
s1c(nc(C=C(c2n3CCCCCc3nn2)C#N)c1)c1cc(OC)ccc1	PC-id_76862573	377.463	ABLHDSXPQYOVSY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099903
c1(C(=O)Nc2nnc(CCN3CCOCC3)s2)nnc2CCCCCn12	ZINC22_1875243726,EMOLS-id_331096592,MCULE-7177941796	377.465	UPMYYBWJRAZHAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099904
CNc1scc(n1)C(=O)NCc1nn2c(c1)CN(CCC2)C(=O)N(C)C	PC-id_102602788	377.465	FAYYCAPTJRHUJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-099905
O1CCN(CCN2CCCc3[nH]c(c(c3C2=O)C)C(=O)OC(C)(C)C)CC1	PC-id_59250094,SCHEMBL3135752	377.478	FRPICVCKEOPZJM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099906
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+]C(c1occc1)C)C(=O)OC	PC-id_84871222	377.478	ZDGWQEGEFXJDOA-UHFFFAOYSA-O	00000000101000000100000000000010000000000000000000000000	31-01-099907
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+][C@H](c1occc1)C)C(=O)OC	PC-id_8918999	377.478	ZDGWQEGEFXJDOA-LBPRGKRZSA-O	00000000101000000100000000000010000000000000000000000000	31-01-099908
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+][C@@H](c1occc1)C)C(=O)OC	PC-id_8919002	377.478	ZDGWQEGEFXJDOA-GFCCVEGCSA-O	00000000101000000100000000000010000000000000000000000000	31-01-099909
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](Cc1occc1)C)C(=O)OC	PC-id_9334285	377.478	WOUQCVCWQFHYMI-UHFFFAOYSA-O	00000000101000000100000000000010000000000000000000000000	31-01-099910
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)c1sccc1	PC-id_8219456	377.478	JBEBEWRKUIOPKQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-099911
s1c2c(CCCCCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)N	PC-id_74682849	377.478	VHMOGCXEKBECKN-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-099912
s1c2c(CCCCCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)N	PC-id_40437980	377.478	VHMOGCXEKBECKN-RYUDHWBXSA-M	00000000100010000100000000000010000000000000000000000000	31-01-099913
s1c2c(CCCCCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)N	PC-id_40437982	377.478	VHMOGCXEKBECKN-NEPJUHHUSA-M	00000000100010000100000000000010000000000000000000000000	31-01-099914
s1c2c(CCCCCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)N	PC-id_40558882	377.478	VHMOGCXEKBECKN-VXGBXAGGSA-M	00000000100010000100000000000010000000000000000000000000	31-01-099915
s1c2c(CCCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)N	PC-id_40558884	377.478	VHMOGCXEKBECKN-NWDGAFQWSA-M	00000000100010000100000000000010000000000000000000000000	31-01-099916
s1c2c(CCCCCCCCCC2)c(c1NC(=O)/C=C/C(=O)[O-])C(=O)N	PC-id_40490419	377.478	MJRYERHSCVVTDL-VAWYXSNFSA-M	00000000100000000100000000000010000000000000000000000000	31-01-099917
s1c2c(CCCCCCCCCC2)c(c1NC(=O)C=CC(=O)[O-])C(=O)N	PC-id_7308661	377.478	MJRYERHSCVVTDL-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-099918
s1c(NC(=O)CC2(CCCC2)CC(=O)[O-])c(c2CCCCCc12)C(=O)N	PC-id_27520715	377.478	VCJDVFXAKYKGCW-UHFFFAOYSA-M	00000010100000000100000000000010000000000000000000000000	31-01-099919
S(=O)(=O)(c1[nH]c2c(c1SCC)C(=O)CCCC2=O)c1ccc(cc1)C	PC-id_72546726	377.478	HRTILJVOHRFZSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099920
CC(=O)C1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_91391667	377.479	CZVCDUWVCIOPEM-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-099921
CC(=O)C1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136044506	377.479	IXJSAZDCGPCDDE-LPYMAVHISA-N	00000011110000000100100000000010000000000000000000000000	31-01-099922
n1n2CCCN(CC(c3ccccc3)c3ccccc3)Cc2cc1C(CO)O	MCULE-3371294584,EMOLS-id_50547393,PC-id_90653195	377.479	KCKICXQLMRHMDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099923
O=C(C1CCCCCCc2[nH]c(c1c2)/C=c
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OC[C@@H](O)c1cc2n(n1)CCCN(CC(c1ccccc1)c1ccccc1)C2	PC-id_100067480,ZINC22_221373667	377.479	KCKICXQLMRHMDZ-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099925
OC[C@H](O)c1cc2n(n1)CCCN(CC(c1ccccc1)c1ccccc1)C2	PC-id_100067481,ZINC22_221373721	377.479	KCKICXQLMRHMDZ-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099926
c1(NC(=O)CSc2ncccn2)sc2c(CCCCC2)c1C(=O)OC	TIMTEC124926,CoCoCo_1045617,MCULE-5127191087,PC-id_2680709,ZINC22_3563441,EMOLS-id_2545376	377.481	DKZZMXUECAEARJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-099927
c1(NC(=S)NC(=O)c2ccco2)sc2c(CCCCCC2)c1C(=O)N	STOCK2S-75538,CoCoCo_280746,ZINC22_2316491,EMOLS-id_1420779,MCULE-7720071562,PC-id_1933084	377.481	PMJLLRNOXXVVSL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-099928
CCCC(C(C)(N(CCC)C=O)O)N(C)C1=NC(C(=O)Nc2c1cc[nH]2)C	PC-id_90847263	377.481	TUWGGUPRRQINPL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-099929
CC(C)(C)OC(=O)N1CCC(C(=O)NCc2nnc3n2CCCCC3)CC1	ZINC22_65610057,MCULE-7697347781,PC-id_51266359,EMOLS-id_35281025	377.481	YBXRRTLALHJCQY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099930
CC(=O)N1CCC(C(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)CC1	ZINC22_222469142,PC-id_100098708	377.481	CEWNIGYVJVBVOD-SFHVURJKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099931
CC(=O)N1CCC(C(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)CC1	ZINC22_222469196,PC-id_100098714	377.481	CEWNIGYVJVBVOD-GOSISDBHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099932
CN1CCCn2c(C1)c(nc2[C@H](C(C)(C)C)C(=O)N1CC[C@@H](C1)O)C(=O)N	PC-id_140605935	377.481	NGPOWVFIHXDLBC-JSGCOSHPSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099933
CN1CCCn2c(C1)c(nc2[C@H](C(C)(C)C)C(=O)N1CC[C@H](C1)O)C(=O)N	PC-id_140605942	377.481	NGPOWVFIHXDLBC-OCCSQVGLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099934
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)C1CCN(CC1)C(=O)C	MCULE-3708360255,EMOLS-id_55670717,PC-id_91783778	377.481	CEWNIGYVJVBVOD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099935
n12CCCNCc1cc(CCC(=O)N1CCCN([C@H]3COC[C@@H]3O)CC1)n2	ZINC22_72422872,EMOLS-id_43058134,MCULE-8350097784,PC-id_70706446	377.481	WGQMZOAJDYPIHP-ROUUACIJSA-N	00000010100000000101100000000010000000000000000000000000	31-01-099936
N#Cc1ccc(cc1)C(C(=C)c1c[nH]c2=CC=CCC=c12)Nc1cccc(c1)C	SCHEMBL21228678,PC-id_139374598	377.481	BULOYRWQKZMQOR-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-099937
O1CC(N2CCCN(CC2)C(=O)CCc2nn3c(CNCCC3)c2)C(O)C1	PC-id_77897314	377.481	WGQMZOAJDYPIHP-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-099938
O=C(C1CCn2c(CC1)nnc2)NC1(C)CCN(CC1)C(=O)OC(C)(C)C	EMOLS-id_257971648,MCULE-3197594299	377.481	UDGLMLBTMBDPRA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099939
O=C(OC(C)(C)C)NCC1(CCCC1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-9340809020,EMOLS-id_257966161	377.481	QLJXIHOVRGYAGE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099940
O(C(=O)N1C(CCC1)C(=O)NCCc1n2CCCCCc2nn1)C(C)(C)C	PC-id_60404880	377.481	PSHWPTRLBBTQLZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099941
O(C(=O)N1[C@@H](CCC1)C(=O)NCCc1n2CCCCCc2nn1)C(C)(C)C	PC-id_52716626	377.481	PSHWPTRLBBTQLZ-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-099942
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1ccsc1	PC-id_60572623	377.481	CZUWSIJXMOEDPN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-099943
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1sccc1	PC-id_9301073	377.481	FUGUXNBLSKIRRY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-099944
c1(c2ccc(cc2)CN(C)Cc2c3CCCCCc3[nH]n2)nc(C)cc(=O)[nH]1	ZINC22_23399033,PC-id_136076985,CoCoCo_1459697,CoCoCo_1459696,CoCoCo_1459695,CoCoCo_1459698,MCULE-8234476336,CoCoCo_1459699,EMOLS-id_24861471,CoCoCo_1459701,CoCoCo_1459694,CoCoCo_1459700	377.483	SIOILUAOBZDGQQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099945
c1ccc(cn1)COc1ccccc1CNCCc1nnc2n1CCCCC2	PC-id_119111945,EMOLS-id_51669213,MCULE-3860670253	377.483	LSQWPZOEWAHFGQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099946
Cc1ccccc1n1c(C)cc(C(=O)NCc2nnc3n2CCCCC3)c1C	MCULE-6295928084,EMOLS-id_35692426,PC-id_53510865,ZINC22_42060376	377.483	VRIXFJDUQQINNS-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-099947
Cc1cc(C)n(Cc2cccc(c2)C(=O)NCc2n[nH]c3CCCCCc23)n1	MCULE-4627267129,PC-id_90648356,ZINC22_218954291,EMOLS-id_50529529	377.483	CPWCMSLCKMAESE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099948
Cc1cc(CNC(=O)c2ccc3CN(Cc4ccccc4)CCCn23)n(C)n1	EMOLS-id_317419097,MCULE-8082041205	377.483	PQGAUTKKBLBYDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099949
Cc1nn(c2ccccc2)c(C)c1CC(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_670449533,EMOLS-id_222766571,MCULE-3030634358	377.483	DLAPJUCGWRYLIT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099950
CC(c1nnc2n1CCCCC2)NCc1cccc(c1)OCc1ccccn1	EMOLS-id_36281075,PC-id_47614339,MCULE-5850502111	377.483	RYBJICUSKUMMIC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099951
C=C/C=C(C=C
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CC[C@@H](O)c1cc2n(n1)CCCN(Cc1nc(C)cc(c3ccccc3)n1)C2	PC-id_100043195,ZINC22_219544440	377.483	PDSADDVYWVMRCE-OAQYLSRUSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099953
CC[C@H](O)c1cc2n(n1)CCCN(Cc1nc(C)cc(c3ccccc3)n1)C2	ZINC22_219544524,PC-id_100043198	377.483	PDSADDVYWVMRCE-NRFANRHFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099954
CCC(O)c1cc2CN(Cc3nc(C)cc(n3)c3ccccc3)CCCn2n1	PC-id_91771597,MCULE-5617461302,EMOLS-id_55635602	377.483	PDSADDVYWVMRCE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-099955
C[C@@H](NCc1cccc(OCc2ccccn2)c1)c1nnc2n1CCCCC2	PC-id_95282173,ZINC22_69419559	377.483	RYBJICUSKUMMIC-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099956
C[C@H](NCc1cccc(OCc2ccccn2)c1)c1nnc2n1CCCCC2	ZINC22_69419558,PC-id_95282172	377.483	RYBJICUSKUMMIC-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-099957
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(cc1)CN1CCCCC1	EMOLS-id_98137885	377.483	BTYCZAZJDHDPMN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-099958
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O=C(NCCCn1cccn1)c1ccc2CN(Cc3ccccc3)CCCn12	EMOLS-id_317416793,MCULE-3726744820	377.483	WMRRDPZZXHMUFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099960
Cc1cccc2c1sc(c2S(=O)(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102028673	377.484	OEEXAKHJKIGDTN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099961
Cc1nc2c(s1)cc(cc2)S(=O)(=O)NCc1nn2c(c1)CNCCC2	MCULE-1595831433,PC-id_70746253,EMOLS-id_44438105	377.484	NQVSADVBRVVYSV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099962
CC1OC(C)CN(C1)CC1CCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163195	377.484	XNSWQOPSWHBPOI-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-099963
CC(C)N(C)CC(=O)N1Cc2ncnn2C[C@H](C(=O)N2CCN(C)CC2)C1	ZINC22_1565549768	377.484	CAFGYMVMFRGXRN-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099964
CC(C)N(C)CC(=O)N1Cc2ncnn2C[C@@H](C(=O)N2CCN(C)CC2)C1	ZINC22_1614929542	377.484	CAFGYMVMFRGXRN-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099965
CC(C)N(C)CC(=O)N1CC(Cn2ncnc2C1)C(=O)N1CCN(C)CC1	EMOLS-id_313723352	377.484	CAFGYMVMFRGXRN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099966
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)C(=O)OCC	PC-id_111162570	377.484	APADJNIGMYVOPQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099967
CCOC(=O)N1CCC(CC1)NC(=NCCc1nnc2n1CCCCC2)N	PC-id_111039177	377.484	RLCSIUAQTJIZRX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099968
CCOC(=O)N1CCC(CC1)NC(=NC)NCc1nnc2n1CCCCC2	PC-id_111328368	377.484	CDRMPTFWXWCNLP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099969
Cn1nc(c2c1ncc(c2)S(=O)(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_110211556	377.484	WJEWSCZGBONSHN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-099970
CN=C(NC1CN(C1)C(=O)OC(C)(C)C)NCc1nnc2n1CCCCC2	PC-id_109466576	377.484	NYEKYESZUHSZHR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-099971
NC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)C(=O)OC(C)(C)C	PC-id_111031942	377.484	MZPUEJRCPDBMCQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099972
O=C(c1csnn1)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1	EMOLS-id_313792821,ZINC22_1565553236	377.484	POWFEEAKWYRJQL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099973
O=C(N1CCC(CC1)CCN1CCOCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102163204	377.484	QMQJTOPTKVUSCE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099974
O=C(N1CCN(CC1)CC(=O)NCC)NCCc1n2CCCCCc2nn1	PC-id_52220577	377.484	JNDSJXGNXFZUMH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099975
O=C(NC1CCn2c(CC1)nnn2)NCC1(CCCCC1)N1CCOCC1	EMOLS-id_102162895	377.484	MUSQCZLZXZUUBD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-099976
O=C(Nc1nc2c(s1)CCCCC2)Cc1csc(n1)N1CCNC1=O	GD-id_ZINC47074018	377.484	DJQXQPFSZIGVGK-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-099977
S(c1n2CCCCCc2nn1)Cc1c(sc(N)c1C#N)C(=O)OCC	PC-id_7877160	377.484	GESPOCWPLOUACP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-099978
CCc1nc(N/N=C/c2c[nH]c3c2CC=CC=C3)nc(n1)N1CCCCCC1	PC-id_143340867	377.486	ZGYUXFZKJMJMGN-HZHRSRAPSA-N	00000000100000100111100000000010000000000000000000000000	31-01-099979
CCCNc1ncc(CN2CCc3nc(Cc4ccccc4)nn3CC2)cn1	EMOLS-id_337803380,MCULE-4144636626,ZINC22_2356164232	377.486	KROZNWVUBPYHIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099980
CCNc1nnc(s1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135589951	377.488	FHIYLPOGSHKDMO-KHPPLWFESA-N	00000000100000000101000000000010000000000000000000000000	31-01-099981
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1sc(NCC)nn1	PC-id_78672551	377.488	ASQUUBPDAJFJBH-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-099982
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1sc(NCC)nn1	PC-id_8350760	377.488	ASQUUBPDAJFJBH-RAXLEYEMSA-N	00000011100000000111000000000010000000000000000000000000	31-01-099983
CCCC1C=CC=c2c(=C1)ccn2Cc1ccc(cc1F)C(=N)N1CCCC1	SCHEMBL18978060	377.498	CYLRSTDDJWDWND-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-099984
OC(=O)C1CCO[C@H]1C1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	PC-id_121973879	377.498	MYYDANVUHQQYED-PKHIMPSTSA-N	00000010100010000100100000000010000000000000000000000000	31-01-099985
s1c2CCCCCc2cc1C(=O)NNC(=S)NCc1ccc(F)cc1	PC-id_8468981	377.499	LOWXXHWCKNUJIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099986
s1c2CCCCCCc2cc1C(=O)NNC(=S)Nc1ccc(F)cc1	PC-id_8788564	377.499	KWUPQOMDVQGVTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099987
s1c2CCCCCCc2cc1C(=O)NNC(=S)Nc1c(F)cccc1	PC-id_8788567	377.499	XWFWPJCQJSGURE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-099988
c1(NC(=O)C2CCN(CC2)C(=O)C)sc2c(CCCCCC2)c1C(=O)N	ZINC22_6729465,TIMTEC461657,CoCoCo_1049306,MCULE-9782182671,EMOLS-id_2325702,PC-id_6468176	377.501	SWSGAIKKQQNFEB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-099989
Cc1ccc(CN2Cc3cccn3C[C@@H](CCNS(=O)(=O)C3CC3)C2)o1	ZINC22_585095438	377.501	QQPDZHWLDCGWHP-INIZCTEOSA-N	00100000101000000101000000000010000000000000000000000000	31-01-099990
Cc1ccc(CN2Cc3cccn3C[C@H](CCNS(=O)(=O)C3CC3)C2)o1	ZINC22_585095441	377.501	QQPDZHWLDCGWHP-MRXNPFEDSA-N	00100000101000000101000000000010000000000000000000000000	31-01-099991
Cc1ccc(CN2CC(CCNS(=O)(=O)C3CC3)Cn3cccc3C2)o1	EMOLS-id_313745844	377.501	QQPDZHWLDCGWHP-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-099992
CC(NC(=O)C(=O)N1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_110235274,PC-id_51305701	377.501	UZNGOQKEAHOHLO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-099993
CC(OCc1ncn2c1CN(CCC2)S(=O)(=O)Cc1ccc(cc1)C)C	PC-id_97520023	377.501	NPDTYDFUWAUQGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-099994
CC(=O)NC(C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C1CCCC1	PC-id_71899811,EMOLS-id_44521792,MCULE-6222329339	377.501	BMMOXRSCTRSIPH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-099995
CC(=O)N[C@H](C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C1CCCC1	PC-id_94593569	377.501	BMMOXRSCTRSIPH-KRWDZBQOSA-N	00000010100000000100000000000010000000000000000000000000	31-01-099996
CC(=O)N[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C1CCCC1	PC-id_94593570	377.501	BMMOXRSCTRSIPH-QGZVFWFLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-099997
CCS(=O)(=O)CCN1Cc2cccn2C[C@@H](OCc2cccc(C)n2)C1	ZINC22_247887733	377.501	UHBGINAZSUSHMH-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-099998
CCS(=O)(=O)CCN1Cc2cccn2C[C@H](OCc2cccc(C)n2)C1	ZINC22_247887736	377.501	UHBGINAZSUSHMH-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-099999
CCS(=O)(=O)CCN1CC(Cn2cccc2C1)OCc1cccc(C)n1	EMOLS-id_50009224	377.501	UHBGINAZSUSHMH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100000
COc1ccccc1CN1Cc2cccn2C[C@@H](CCNS(=O)(=O)C)C1	ZINC22_585095567	377.501	XTMDFQFKTYGYIW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100001
COc1ccccc1CN1Cc2cccn2C[C@H](CCNS(=O)(=O)C)C1	ZINC22_585095568	377.501	XTMDFQFKTYGYIW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100002
COc1ccccc1CN1CC(CCNS(=O)(=O)C)Cn2cccc2C1	EMOLS-id_313835811	377.501	XTMDFQFKTYGYIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100003
COC(=O)c1c(NC(=O)N2CCN3C(C2)CCC3)sc2c1CCCCC2	EMOLS-id_110264109	377.501	CBYZOKULGHURIJ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-100004
COC(=O)C(CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C)C	PC-id_87014469	377.501	DZOGEBXWANBMRK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100005
N#Cc1c(NC(=O)CCN(C2(CO)COCC2)C)sc2c1CCCCC2	EMOLS-id_99242589	377.501	HFULYUMXWRNBJT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-100006
OC1(CC(=O)N2CCc3nc(sc3CC2)C(=O)N2CCCCC2)CCC1	ZINC22_1565551517,EMOLS-id_313792565	377.501	RMPPJUHFXJEKCV-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-100007
O=C(C1CCN(CC1)C(=O)C)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_15267600,CoCoCo_3415951,PC-id_17485163,MCULE-3594081780	377.501	LMJCVNFLGMOHBF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100008
O=C(CN1CCCCCC1=O)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_17465340,EMOLS-id_13524213,MCULE-3298380636,CoCoCo_3415949	377.501	UAOPZXBNBPVKMC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100009
O=C(N1CCN(CC1)C(=O)C)CCNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98754238	377.501	LOFVABJVBDGBMC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100010
O=C(NNC(=O)c1sc2c(c1)CCCCCC2)CCNC(=O)C1CC1C	EMOLS-id_44528352,PC-id_71896769,MCULE-9167455118	377.501	JRQUFBDMLVPQQZ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-100011
O=C(OC(C)(C)C)Nc1nsc2c1C=CCN(C2=O)CC1CCCCC1	PC-id_142599862	377.501	QVLHMLWQKIKYSE-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-100012
s1c2CCCCCc2cc1C(=O)NCc1c([N-]S(=O)(=O)C)cccc1	PC-id_52242584	377.501	OBGSTEQCDBZIOT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100013
s1c2c(CCCCC2)c(c1NC(=O)C1CCCN(C1)C(=O)CC)C(=O)N	PC-id_60529599	377.501	BKBYQRFEWNDAJD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100014
s1c2CCCCCc2c(c1NC(=O)CCNC(C)(C)C(=O)OCC)C#N	PC-id_60330330	377.501	CJDZKQHIDVOWSA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100015
s1c2CCCCCCc2cc1/C(=N/c1c(NS(=O)(=O)C)cccc1)/[O-]	PC-id_51645554	377.501	LPGVWFZDTFOYPA-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-100016
s1c2CCCCCCCCCCc2nc1NC(=O)CN1C(=O)CCC1=O	PC-id_30376746	377.501	TVCSLKQUJPFJJU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100017
C[C@H](c1nnc2n1CCCCC2)[NH2+]Cc1cccc(c1)OCc1ccccc1	GD-id_ZINC48040534	377.503	DLTLFWYMVQXPQC-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-100018
c1(C(CC(C)C)NS(=O)(=O)c2ccc(cc2)C)nnc2CCNCCn12	EMOLS-id_36420572,PC-id_56700810,MCULE-7967662063	377.504	SHNVZVPQMVXIHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100019
c1(C(C(C)C)NS(=O)(=O)Cc2ccc(cc2)C)nnc2CCNCCn12	EMOLS-id_36432044,PC-id_56706243,MCULE-6787621801	377.504	PUWCLNCYGRBYIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100020
c1(C(=O)NCc2cc3n(CCCN(CC(C)C)C3)n2)sc(nc1C)OC	ZINC22_82087579,EMOLS-id_44424875,PC-id_70708835,MCULE-2427990617	377.504	WYUDCTPVCWRGIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100021
Cc1cc(cc(c1S(=O)(=O)NC1CCn2c(CC1)nnn2)C)C(C)(C)C	EMOLS-id_102026575	377.504	QIKDTBGJTXXHND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100022
Cc1ccc(CS(=O)(=O)N[C@@H](c2nnc3n2CCNCC3)C(C)C)cc1	PC-id_95201654,ZINC22_67688870	377.504	PUWCLNCYGRBYIN-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100023
Cc1ccc(CS(=O)(=O)N[C@H](c2nnc3n2CCNCC3)C(C)C)cc1	PC-id_95201655,ZINC22_67688871	377.504	PUWCLNCYGRBYIN-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100024
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2nnc3n2CCNCC3)cc1	ZINC22_67649658,PC-id_95197728	377.504	SHNVZVPQMVXIHA-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100025
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2nnc3n2CCNCC3)cc1	ZINC22_67649660,PC-id_95197729	377.504	SHNVZVPQMVXIHA-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100026
Cc1nc(CC(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)c(C)s1	ZINC22_219996091,PC-id_100050737	377.504	QTXWLIQGGDATKW-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100027
Cc1nc(CC(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)c(C)s1	ZINC22_219996149,PC-id_100050739	377.504	QTXWLIQGGDATKW-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100028
CC(C(c1nnc2n1CCN(CC2)Cc1ccccc1)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL14505152,PC-id_45165766	377.504	WCTJTPRABXCXIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100029
C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CC1)Cc1nnc2n1CCCCC2	GD-id_ZINC46055140	377.504	QLCTZWLTGHBQRD-INIZCTEOSA-O	00000000100010000101000000000010000000000000000000000000	31-01-100030
CCS(=O)(=O)NCCC1CN(Cc2cccc(C)n2)Cc2ccnn2C1	EMOLS-id_50375325	377.504	SXGVMYMHJNBFEU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100031
CCS(=O)(=O)NCC[C@H]1CN(Cc2cccc(C)n2)Cc2ccnn2C1	ZINC22_306139439	377.504	SXGVMYMHJNBFEU-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100032
CCS(=O)(=O)NCC[C@@H]1CN(Cc2cccc(C)n2)Cc2ccnn2C1	ZINC22_306139440	377.504	SXGVMYMHJNBFEU-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100033
Cn1cc(CN2Cc3cccn3C[C@@H](CCNS(=O)(=O)C3CC3)C2)cn1	ZINC22_585095271	377.504	MSWAUNPAGOXEBI-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-100034
Cn1cc(CN2Cc3cccn3C[C@H](CCNS(=O)(=O)C3CC3)C2)cn1	ZINC22_585095272	377.504	MSWAUNPAGOXEBI-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-100035
Cn1cc(CN2CC(CCNS(=O)(=O)C3CC3)Cn3cccc3C2)cn1	EMOLS-id_313837090	377.504	MSWAUNPAGOXEBI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-100036
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(CC(=O)NCc1cccs1)C2	PC-id_100033373,ZINC22_219095086	377.504	SAHWWKDZRNULTK-QGZVFWFLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-100037
CN(C)C[C@H](O)c1cc2n(n1)CCCN(CC(=O)NCc1cccs1)C2	ZINC22_219095164,PC-id_100033375	377.504	SAHWWKDZRNULTK-KRWDZBQOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-100038
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)Cc1nc(C)sc1C	EMOLS-id_55646568,PC-id_91775469,MCULE-8769755413	377.504	QTXWLIQGGDATKW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100039
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)CCc1scnc1C	MCULE-3722422937,EMOLS-id_55610457,PC-id_91762726	377.504	DQCCOOIBVAJSDZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100040
CN(C)CC(O)c1cc2CN(CC(=O)NCc3cccs3)CCCn2n1	MCULE-2273512881,PC-id_91767830,EMOLS-id_55624834	377.504	SAHWWKDZRNULTK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-100041
CN(C[C@@H](c1nn2c(c1)CN(CCC2)C(=O)CCc1scnc1C)O)C	PC-id_100014889	377.504	DQCCOOIBVAJSDZ-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100042
CN(C[C@H](c1nn2c(c1)CN(CCC2)C(=O)CCc1scnc1C)O)C	PC-id_100014891	377.504	DQCCOOIBVAJSDZ-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100043
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(C)s3)CCn12	MCULE-3339445601,PC-id_45201482,EMOLS-id_20534995	377.504	NVYPGOLTQYKQNJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-100044
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(C)s1)CC2	CoCoCo_1321843,PC-id_29213921,ZINC22_20910954,CoCoCo_1321844	377.504	NVYPGOLTQYKQNJ-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-100045
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C)s1)CC2	CoCoCo_1321845,ZINC22_20910949,PC-id_29213917,CoCoCo_1321846	377.504	NVYPGOLTQYKQNJ-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-100046
COCCn1nc(c(c1C)NC(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_101103794	377.504	LKRLFXJQUDINAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100047
COCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1cccs1)C(C)C	CoCoCo_1188607,CoCoCo_1188606	377.504	QWDODPLXEFWDFF-QGZVFWFLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-100048
COCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1cccs1)C(C)C	CoCoCo_1188609,CoCoCo_1188608	377.504	QWDODPLXEFWDFF-KRWDZBQOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-100049
O=C(N1CCCC(C1)N1CCNCC1=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_101761402	377.504	PTGNJRFWOPWYSW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-100050
O=C(NC1CCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2)NC1CC1	EMOLS-id_101098445	377.504	ROUKNEPABXXGOC-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-100051
S1C(CC(=O)NCCC(C)C)C(=O)N=C1Cc1n2CCCCCc2nn1	PC-id_85006003	377.504	LXLWGNORIFMUAA-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-100052
s1c(CN2CCn3c(nnc3CC2)C(NC(=O)COC)C(C)C)ccc1	PC-id_45180030	377.504	QWDODPLXEFWDFF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-100053
S1[C@H](CC(=O)NCCC(C)C)C(=O)N=C1Cc1n2CCCCCc2nn1	PC-id_9419277	377.504	LXLWGNORIFMUAA-CYBMUJFWSA-N	00000011100000000101000000000010000000000000000000000000	31-01-100054
S1[C@@H](CC(=O)NCCC(C)C)C(=O)N=C1Cc1n2CCCCCc2nn1	PC-id_9419278	377.504	LXLWGNORIFMUAA-ZDUSSCGKSA-N	00000011100000000101000000000010000000000000000000000000	31-01-100055
S(c1n2CCCCCc2nn1)CC(=O)NC(=O)NCCC1=CCCCC1	PC-id_7876613	377.504	BIBUZHCZMWEXRD-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-100056
S(=O)(=O)(NCc1n2CCN(CCc2nn1)CCC(C)C)c1ccccc1	PC-id_42236298	377.504	AOVYXHSJQXZGSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100057
S(=O)(=O)(NCc1n2CCN(CC(CC)C)CCc2nn1)c1ccccc1	PC-id_45165719	377.504	RQXIAMKZLPUHEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100058
CCN1C(=CSC1=C(c1nnc2n1CCCCC2)C#N)c1ccc(cc1)C	MCULE-4517592339,PC-id_3646325	377.506	MJKDBJLVKSWQDA-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-100059
CCN1C(=CS/C/1=C(/c1nnc2n1CCCCC2)C#N)c1ccc(cc1)C	PC-id_2318112,CoCoCo_3733073	377.506	MJKDBJLVKSWQDA-HEHNFIMWSA-N	00000011100000110101100000000010000000000000000000000000	31-01-100060
CCN1C(=CS/C/1=C(/C#N)c1nnc2n1CCCCC2)c1ccc(C)cc1	PC-id_2318111,CHEMBL4517234,CoCoCo_3733072	377.506	MJKDBJLVKSWQDA-FXBPSFAMSA-N	00000011100000110101100000000010000000000000000000000000	31-01-100061
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N[C@@H]1CCc2nnnn2CC1	ZINC22_333679685	377.508	FAINMTKTTYDOPH-CHWSQXEVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100062
Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N[C@H]1CCc2nnnn2CC1	ZINC22_333679691	377.508	FAINMTKTTYDOPH-OLZOCXBDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100063
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@@H]1CCc2nnnn2CC1	ZINC22_333679693	377.508	FAINMTKTTYDOPH-QWHCGFSZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100064
Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@H]1CCc2nnnn2CC1	ZINC22_333679697	377.508	FAINMTKTTYDOPH-STQMWFEESA-N	00000000100000000101000000000010000000000000000000000000	31-01-100065
CC(c1sc(c(n1)C)C(N(C(=O)NC1CCn2c(CC1)nnn2)C)C)C	EMOLS-id_102166924	377.508	FAINMTKTTYDOPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100066
c1(NC(=O)c2csc(CCC)c2)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_5809339,SPECS-id_AK-968/41170198,TIMTEC463527,ZINC22_650816,EMOLS-id_4055235,MCULE-5726029078,PC-id_996978	377.521	SYVWGFHOCIKJBV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-100067
CS(=O)(=O)c1ccc(CNC(=O)c2cc3c(s2)CCCCCC3)cc1	MCULE-8923666469,EMOLS-id_48773091,PC-id_75466713,ZINC22_43068180	377.521	KELOXFMZOHNUNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100068
O=C(c1cc2c(s1)CCCCC2)NCc1ccc(cc1)CS(=O)(=O)C	PC-id_87028707	377.521	WPMZXJHCQRKCKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100069
s1c2CCCCCc2cc1C(=O)NC(c1ccc(S(=O)(=O)C)cc1)C	PC-id_51247143	377.521	MNZGTSMQTANWPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100070
s1c2CCCCCc2cc1C(=O)N[C@H](c1ccc(S(=O)(=O)C)cc1)C	PC-id_41751682	377.521	MNZGTSMQTANWPH-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100071
s1c2CCCCCc2cc1C(=O)N[C@@H](c1ccc(S(=O)(=O)C)cc1)C	PC-id_41751683	377.521	MNZGTSMQTANWPH-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100072
s1c2CCCCCCc2cc1C(=O)Nc1c(ccc(S(=O)(=O)C)c1)C	PC-id_51198529	377.521	IHTUJHPMQDRHAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100073
s1c2CCCCCCc2cc1C(=O)N(c1ccc(S(=O)(=O)C)cc1)C	PC-id_56076267	377.521	VXGIYQPPLMBNKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100074
s1c2CCCCCCc2cc1C(=O)Nc1ccc(S(=O)(=O)CC)cc1	PC-id_30841245	377.521	LZVNWUQPGBJEHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100075
CC1CCCCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87588609	377.522	IQNOJBSKQIKHDU-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100079
CC1CCCCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136414765,SCHEMBL3876006	377.522	SUQQCWQLOYRMML-HZHRSRAPSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100080
CCC1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OCC	PC-id_87589584	377.522	BITABIYMLRCLHY-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100081
CCC1CCCCCCc2cc1c([nH]2)/C(=C
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CCC1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OCC	PC-id_136385026,SCHEMBL3884565	377.522	UGTOKRVUSDNPEU-HZHRSRAPSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100083
CCC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OCC	PC-id_136510514	377.522	UGTOKRVUSDNPEU-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100084
CCC1CCCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87589139	377.522	FCYRBNHBVQIHHO-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100085
CCC1CCCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3881306,PC-id_136414812	377.522	JKOQNABFYZTPNA-HZHRSRAPSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100086
CCCC1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87588457	377.522	OLQMIUQDAOUZDX-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100087
CC(C)C1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_90805273	377.522	VROGDUKPCHHBCR-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100088
CC(C)C1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136044509	377.522	QQAICQBOPZBIHD-OEAKJJBVSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100089
CCCC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136660415	377.522	PXLVAVPYZFAKBM-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100090
CCCC1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3874475,PC-id_136414750	377.522	PXLVAVPYZFAKBM-HZHRSRAPSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100091
CCCCC1CCCCCCc2cc1c([nH]2)C=C1C(=O)CC(=C2C=CC=N2)N1	PC-id_91321228	377.522	ISGKQNQMJCULKQ-UHFFFAOYSA-N	00000011100000000100100000000010000000000000000000000000	31-01-100092
CCCCC1CCCCCCc2cc1c([nH]2)C=C1C(=O)CC(=N1)c1ccc[nH]1	PC-id_136591117	377.522	FYAXTVSTDDZGSU-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100093
CCCCC1CCCCCCc2cc1c([nH]2)/C=C
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CCC[C@@H]1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136505308	377.522	PXLVAVPYZFAKBM-QGZVFWFLSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100095
CCC[C@H]1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136658661	377.522	PXLVAVPYZFAKBM-KRWDZBQOSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100096
CCC[C@@H]1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3875727,PC-id_136414763	377.522	PXLVAVPYZFAKBM-HAFIMRKLSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100097
CCCNC(c1cscc1Br)c1cc2c(s1)CCCCC2	PC-id_105010578	384.397	DZRZBIYGVOQQLY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104304
CCC[C@H]1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3999571,PC-id_136384708	377.522	PXLVAVPYZFAKBM-BDFKGGEMSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100098
CCOc1cc(=C2C=CC=N2)[nH]c1=Cc1c2CCCCCCCCCc(c2)[nH]1	PC-id_87236889	377.522	COXSSDSWQVLQSN-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100099
CCOC1=CC(=N/C/1=C/c1c2CCCCCCCCCc(c2)[nH]1)c1ccc[nH]1	PC-id_136367862	377.522	LJWZASKOXYUYMO-XQNSMLJCSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100100
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COc1cc(=C2C=CC=N2)[nH]c1=CC1CCCCCCCc2cc(c[nH]2)CC1	PC-id_88013904	377.522	AHWDRWXQFWZKLP-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100102
COC1=CC(=N/C/1=C/c1c2CCCCCCCCCCc(c2)[nH]1)c1ccc[nH]1	SCHEMBL3884385,PC-id_136385022	377.522	LKDHYAIPHPNYLK-XQNSMLJCSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100103
COC1=CC(=NC1=CC1CCCCCCCc2cc(CC1)c[nH]2)c1[nH]ccc1	PC-id_136346240,SCHEMBL6579250	377.522	CFZOGJHBBLZKIP-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100104
COC1=CC(=N/C/1=C/C1CCCCCCCc2cc(CC1)c[nH]2)c1[nH]ccc1	SCHEMBL6579246,PC-id_136346239	377.522	CFZOGJHBBLZKIP-HZHRSRAPSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100105
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O=C1C(=Cc2[nH]c3CCCCCCC(c2c3)CCCC)NC(=C1)c1[nH]ccc1	PC-id_68826791	377.522	MQDURGRFNYUQFD-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100107
O(c1/c(=C(/c2[nH]c3CCCCCCC(c2c3)CC)C)/[nH]/c(=C/2N=CC=C2)/c1)C	PC-id_10293002	377.522	BJXUIGKPDMOZSR-LCFSAPAPSA-N	00000011110000000100100000000010000000000000000000000000	31-01-100108
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c12CN(CCCn1nc(CNC(=O)COC)c2)CC(C)(C)CN1CCCC1	MCULE-2493748703,ZINC22_91364406,EMOLS-id_46034959,PC-id_72851155	377.524	QYSBCKPBBSDRRM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100113
c1(C(C(C)C)NC(=O)COC)nnc2CCN(CC3CCCCC3)CCn12	EMOLS-id_20649329,MCULE-2938926986,PC-id_45228317	377.524	MROANSPKORGZFJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100114
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(CC(CC)CC)CCn12	PC-id_45206065,MCULE-1361342908,EMOLS-id_20555133	377.524	WUKGHTMBSPYVLF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100115
c1(NC(=O)CCC(=O)NCCc2cccs2)sc2c(CCCCC2)n1	MCULE-1188696750,EMOLS-id_334955867	377.524	PLCJZLIEAZXGHG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-100116
CC1CN(CC(O1)c1cscc1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_49912561,PC-id_86779109,MCULE-9983592974	377.524	UFVBHOKLWLALRD-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-100117
CC(C1CCCN1C(=O)OC(C)(C)C)NCCc1nnc2n1CCCCC2	MCULE-1307716025,PC-id_75473222,EMOLS-id_48819298	377.524	MJDPOLMLHCBTDE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100118
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CCOC(C1)C(C)(C)C	EMOLS-id_98320341	377.524	RJMFPMCOPQFBHU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100119
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CCC(CC)CN1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1	CoCoCo_1351203,ZINC22_12245370,PC-id_42482693,CoCoCo_1351204	377.524	WUKGHTMBSPYVLF-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100122
CCC(CC)CN1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1	ZINC22_12245369,CoCoCo_1351201,PC-id_42482691,CoCoCo_1351202	377.524	WUKGHTMBSPYVLF-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100123
CC(C)CN1CCN(CC1CCO)C(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_177426545,MCULE-1163919371,PC-id_121502970	377.524	GWBJGEYIZZUNQN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100124
CC(C)CN1CCN(C(=O)NCc2n[nH]c3c2CCCCC3)C[C@@H]1CCO	ZINC22_426504451	377.524	GWBJGEYIZZUNQN-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100125
CC(C)CN1CCN(C(=O)NCc2n[nH]c3c2CCCCC3)C[C@H]1CCO	ZINC22_426504452	377.524	GWBJGEYIZZUNQN-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100126
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n1n2CCCN(C(=O)CN3CCCCCCC3)Cc2cc1C(O)CN(C)C	EMOLS-id_50540349,PC-id_90651297,MCULE-5420365004	377.524	GOBNFWIMDWQFPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100143
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s1c2CCCCCc2cc1C(=O)NNC(=O)c1sc(nc1C)CCC	PC-id_52588864	377.524	ICPIDPBIFHQWEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100148
s1c2CCCCCc2cc1C(=O)NNC(=O)c1sc(nc1)C(C)(C)C	PC-id_56086613	377.524	BRRHMUCEHCKLAY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100149
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s1c2CCCCCc2c(c1NC(=O)C[NH+](CC(=O)NC(C)(C)C)C)C#N	PC-id_52217936	377.524	PSZAWAYAYMHCLE-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-100155
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s1c2c(CCCCCC2)c(c1NC(=S)n1ncc(c1)C)C(=O)OCC	PC-id_20178267	377.524	RALCELJRLULZIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100158
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CN1CCN(CC1)[C@H]1CCN(C[C@H]1O)C(=O)c1cc2c(s1)CCCCC2	CoCoCo_1374030,CoCoCo_1374031	377.544	XEOWKAWXNOMIRG-DLBZAZTESA-N	00000000100010000101100000000010000000000000000000000000	31-01-100193
CCNC(c1cc2c(s1)CCCCC2)Cc1ccc(s1)Br	PC-id_115840809	384.397	ZGDLLIFTWVYNJQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104305
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CNC(=O)c1cc(Cl)ccc1NC(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_130186952,EMOLS-id_177206614,MCULE-3349400411	377.825	QMLRWJYJFYHRBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100236
Fc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319046427	377.844	YTZQNOQJCMKNAC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-100237
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CCC(=O)c1ccc(cc1)Cl	PC-id_90625282	377.845	DJBRABKZPZBESX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100238
Clc1c(C=NNC(=O)c2sc3CCCCCc3c2)cc([N+](=O)[O-])cc1	PC-id_78620779	377.845	FQFVQTUTLSXUBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100239
Clc1c([N+](=O)[O-])cc(C=NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_78620857	377.845	KSFZKAVJPCCFAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100240
c12c(=O)[nH]c(nc(=O)c1n(cn2)CCSCC)Nc1ccc(cc1)Cl	ZINC22_20293649,PC-id_28822270,CoCoCo_1549169,EMOLS-id_23830415,MCULE-7971077527	377.849	GASWVUANOXKBBX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-100241
Clc1cc2sc(NC(=O)Cn3nc4n(CCCCC4)c3=O)nc2cc1	PC-id_36444435	377.849	DDKWZTXKDSFRRJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100242
CCCCOC(=O)Oc1cc2c(o1)CCN(CC2)Cc1ccccc1Cl	SCHEMBL11292544,PC-id_70555983	377.862	WZWRDGWDJMPIEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100243
ClC1=CCC(C(C1)C(=O)Nc1sc2c(CCCCC2)c1C#N)C(=O)[O-]	PC-id_78430332	377.865	CEHZPXULSNRIGE-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-100244
ClC1=CC[C@@H]([C@H](C1)C(=O)Nc1sc2c(CCCCC2)c1C#N)C(=O)[O-]	PC-id_6963063	377.865	CEHZPXULSNRIGE-STQMWFEESA-M	00000000100011000100000000000010000000000000000000000000	31-01-100245
ClC1=CC[C@@H]([C@@H](C1)C(=O)Nc1sc2c(CCCCC2)c1C#N)C(=O)[O-]	PC-id_6963064	377.865	CEHZPXULSNRIGE-QWHCGFSZSA-M	00000000100011000100000000000010000000000000000000000000	31-01-100246
ClC1=CC[C@H]([C@H](C1)C(=O)Nc1sc2c(CCCCC2)c1C#N)C(=O)[O-]	PC-id_6963066	377.865	CEHZPXULSNRIGE-OLZOCXBDSA-M	00000000100011000100000000000010000000000000000000000000	31-01-100247
ClC1=CC[C@H]([C@@H](C1)C(=O)Nc1sc2c(CCCCC2)c1C#N)C(=O)[O-]	PC-id_7140389	377.865	CEHZPXULSNRIGE-CHWSQXEVSA-M	00000000100011000100000000000010000000000000000000000000	31-01-100248
CCC(NC(=O)C1CCn2c(CC1)nnc2)(COc1ncccc1Cl)C	EMOLS-id_319508450	377.868	MUWJIAYJCFALEA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100249
Clc1cc(N(Cc2n3CCCCCc3nn2)C(=O)NCC)c(OC)cc1	PC-id_7566113	377.868	OHNPRBMGWURMAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100250
Clc1cc(NC(=O)NCCc2n3CCCCCc3nn2)ccc1OCC	PC-id_60485326	377.868	JICVTQPJYDULGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100251
Clc1cc(OCCNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55745203	377.868	SSYCBCODUQWCQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100252
COc1cc(N)c(cc1C(=O)NCCCc1nnc2n1CCCCC2)Cl	PC-id_119872079	377.868	MAZHGEGSIYIHFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100253
OCCN(Cc1cc(ccc1Cl)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_278794987	377.868	WRRCUNJLXJFIBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100254
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC427580,CoCoCo_1755020,ZINC22_1444044,EMOLS-id_2756253,MCULE-9732704988,PC-id_1520260,ChEMBL-DNDi_CHEMBL3772-3300	377.885	RKTGIZSIZTUPAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100255
c1(NC(=O)c2ccccc2Cl)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_1081673,MCULE-3795462152,MS2_ST015921,EMOLS-id_2085760,CoCoCo_665599,PC-id_1268396	377.885	XCAXDQRYTMFPRM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100256
c1(NC(=O)c2ccccc2Cl)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_879626,MCULE-4476494459,MS2_ST030932,PC-id_1137519,EMOLS-id_1363175,CoCoCo_228723,BAS-02052821,ChEMBL-DNDi_CHEMBL6105643	377.885	SOWGHSFAGLWMLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100257
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_1102479,PC-id_1282929,ChEMBL-DNDi_CHEMBL3772-4244,EMOLS-id_5348826,CoCoCo_1755115,MCULE-1213112599	377.885	PJVJZVPTVDYNKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100258
c1(NC(=O)Cc2ccccc2Cl)sc2c(CCCCC2)c1C(=O)OC	MCULE-4893995956,EMOLS-id_4055495,PC-id_994469,TIMTEC495345,ZINC22_647944,CoCoCo_6792845	377.885	VCFZMNRZXKAODG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100259
Clc1ccc(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_3543921	377.885	ZXDUKFFAPGTEEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100260
Clc1ccc(CNC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_7352088	377.885	RCIBNMZIGHWKEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100261
Clc1ccc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_4695425	377.885	LCRCUNZSBPQDJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100262
Clc1cc(c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc1)C	PC-id_7351941	377.885	JXKGOTBBRDXPED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100263
Clc1ccc(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)C)cc1	PC-id_16509437	377.885	SHGVYLFEVBYTDH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100264
Clc1cc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_4153356	377.885	RNKXNPUCUSHRGN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100265
Clc1cc(NC(=O)[C@@H](OC(=O)c2sc3CCCCCc3c2)C)ccc1	PC-id_7351930	377.885	HAVVSLKGSCEUIF-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100266
Clc1cc(NC(=O)[C@H](OC(=O)c2sc3CCCCCc3c2)C)ccc1	PC-id_7351931	377.885	HAVVSLKGSCEUIF-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100267
Clc1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)c(cc1)C	PC-id_16509455	377.885	WHCMZEXGGAUYLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100268
Clc1c(c(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc1)C	PC-id_7352084	377.885	ANMWIOVXJMMILG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100269
Clc1cc(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)C)ccc1	PC-id_16509373	377.885	HAVVSLKGSCEUIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100270
Clc1c(NC(=O)[C@@H](OC(=O)c2sc3CCCCCc3c2)C)cccc1	PC-id_8254645	377.885	VMDZCOSHLRWBTF-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100271
Clc1c(NC(=O)[C@H](OC(=O)c2sc3CCCCCc3c2)C)cccc1	PC-id_8254649	377.885	VMDZCOSHLRWBTF-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100272
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc(c1)C	PC-id_7352110	377.885	AWMIIDQOSUFEDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100273
Clc1c(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)C)cccc1	PC-id_24496538	377.885	VMDZCOSHLRWBTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100274
CCNC(c1cc2c(s1)CCCCC2)Cc1scc(c1)Br	PC-id_115847540	384.397	CDYLUZPOEYBQLQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104306
c1(NC(=O)CCC(=O)Nc2ccc(cc2)Cl)sc2c(CCCCC2)n1	EMOLS-id_334978642,MCULE-7094747530	377.888	SBELVHSSBVGYJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100275
c1(NC(=O)CCC(=O)Nc2ccccc2Cl)sc2c(CCCCC2)n1	EMOLS-id_334990418,MCULE-4278455141	377.888	DPODCCBKXORHOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100276
c1(NC(=O)CCC(=O)Nc2cccc(Cl)c2)sc2c(CCCCC2)n1	EMOLS-id_334981722,MCULE-4740154595	377.888	GJVWSCPPHKVYRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100277
c1(NC(=O)Nc2ccc(cc2)Cl)sc2c(CCCCCC2)c1C(=O)N	ZINC22_2757048,MCULE-8465476393,PC-id_2930667,CoCoCo_6622508,TIMTEC503368,EMOLS-id_2195010	377.888	VLFSPDXRMYJNHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100278
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_900531,TIMTEC125968,ZINC22_2752671,MCULE-7935327639,PC-id_2166339,EMOLS-id_2442489	377.888	DMDRREBTSRCQBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100279
Cc1c(Cl)cccc1C(=O)N1CCc2nc(C(=O)N(C)C)sc2CC1	EMOLS-id_313792819,ZINC22_1565554013	377.888	OERXAUPQHOXCPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100280
CC(C)C(=O)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1	EMOLS-id_44303770,ZINC22_96146901,PC-id_97442425	377.888	VBHFPNPTFWLICR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100281
Clc1cc(C(=O)NCC(=O)Nc2sc3CCCCCCc3n2)ccc1	PC-id_56021077	377.888	HNOAIPIOEMEAAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100282
Clc1c(C(=O)NC(C(=O)Nc2sc3CCCCCc3n2)C)cccc1	PC-id_43041606	377.888	MGCDMXHQNRCEPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100283
OCc1sc2c(c1)C(=[N-])/C(=CC(=O)Nc1ccc(cc1)Cl)/CCS2	PC-id_141848707	377.888	JQXOTZDWSMZNLD-YFHOEESVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100284
OCCn1c(CSc2nnc3n2CCCCC3)nc2ccc(Cl)cc12	PC-id_7877280,MCULE-9108376280,EMOLS-id_3659937,CoCoCo_3082001,ZINC22_6097980	377.892	JLMPZWCJDSPDOA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100285
Clc1c(SCC(=O)Nc2sc3CCCCCc3c2C#N)nccc1	PC-id_55496492	377.911	FEDYMZFKSROSEG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-100286
N#Cc1c(NC(=O)CSc2ccc(cn2)Cl)sc2c1CCCCC2	PC-id_112815602	377.911	GXXZGQFVJVTDAL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-100287
c1(CN2CCCn3c(cc(n3)C(O)C3CC3)C2)nc([nH]c1Cl)CCCC	MCULE-4576522946,EMOLS-id_55706134,PC-id_91795878	377.912	ITOBZICPIQDWSV-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-100288
CCCCc1nc(Cl)c(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)[nH]1	ZINC22_230479551	377.912	ITOBZICPIQDWSV-GOSISDBHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-100289
CCCCc1nc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)c(Cl)[nH]1	PC-id_100295573,ZINC22_223704316	377.912	ITOBZICPIQDWSV-SFHVURJKSA-N	00100000100000000101000000000010000000000000000000000000	31-01-100290
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1cc(cn1C)Cl)C	PC-id_109713615	377.915	JRMRAAIQXMYRBE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-100291
Clc1c(N2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)cccc1	PC-id_26937785	377.935	UKSLHXQMDGLQTO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-100292
S=c1n(CN2CCN(c3cccc(Cl)c3)CC2)nc2n1CCCCC2	MCULE-8397837350,EMOLS-id_27356343,CoCoCo_3444721,CoCoCo_3444722,PC-id_8145786,ZINC22_57395049	377.935	SDKXTWLAVRHZQU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-100293
Brc1c2c([nH]c1Br)C(=O)NCC(=O)/C/2=C/OCC	PC-id_11428874	378.017	XFZRFOIRFPISGZ-PLNGDYQASA-N	00000000100000000100000000000010000000000000000000000000	31-01-100294
Brc1c2c([nH]c1Br)C(=O)NCC(=O)C2=COCC	PC-id_72957905	378.017	XFZRFOIRFPISGZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100295
COC(=O)C1=C2CCCCCC2=C(S1)C(=O)CC(C(F)(F)F)(O)[AlH2]	PC-id_149393838	378.069	YOBFHYXEADREGF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100296
C[C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682014	378.08	QDVJWNZDKQFOGO-SECBINFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100297
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2=O)CO	PC-id_154682039	378.08	SBMMRZNALKIPQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100298
CN1C=C2C(CCCCC2=C1C(=O)NC3=CC(=C(C=C3)F)Cl)NC(=O)[O-]	PC-id_150447574	378.103	HNCCEAHBCNQQFP-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-100299
CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)CN2CCCCC3=C2C=CS3	PC-id_154746658	378.107	RAAQHLAPPSXZNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100300
Brc1c2c(sc1Br)CN=C(N(CC)CC)C=C2	PC-id_12196353	378.126	YWFVJXFOSVFMBP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-100301
CS(=O)(=O)N(CC1CCC(CC1)(F)F)CC2=NN=C3N2CCOCC3	PC-id_164634747,EMOLS-id_320277461,MCULE-7736022841,ZINC22_1615553112	378.154	UNLPYYXNGLDQDY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100302
CC(C1=NN=C(C1)C(=O)N[C@H]2CCN3C(=CC=N3)N(C2=O)C)C4=CC=CC=C4	PC-id_161885827	378.18	YDMHPUVBRUUDKW-WUJWULDRSA-N	00000011100000110101000000000010000000000000000000000000	31-01-100303
CN1C2=CC=NN2CCCC(C1=O)NC(=O)C3=NN=C(C3)CC4=CC=CC=C4	PC-id_161556103	378.18	WNTIRYZWOYLHCD-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-100304
COc1ccc(Cn2c(Br)nc3c(=O)nc(N)[nH]c(=O)c23)cc1	CHEMBL369956,PC-id_15955475	378.181	POGMZUVJEDHHDG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-100305
O=C(c1cc(Br)c2c(c1)OCO2)N1CCCc2c(C1)cnn2C	EMOLS-id_101670200	378.221	IGRSUIIPAISOGN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-100306
Brc1ccc2c(c1)C(CO2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102181044	378.224	PNOSZWMCBZGGQC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-100307
Brc1cnc2cc(nn2c1)C(=O)N1CCc2ncsc2CC1	PC-id_71748045,BindingDB_PC-id_71748045,SCHEMBL15282796,BindingDB-id_300531	378.247	HFBSTQOCRHPHJB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100308
Fc1cc(Cl)c(c(c1)Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950926	378.249	XPVNLXUXWSHXQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100309
Clc1cn2cc(nc2c(c1)Cl)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671340	378.256	RVDGCNHKFPLTMZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100310
Brc1ccc(OCCNC(=O)c2n[nH]c3CCCCCc23)cc1	MCULE-1413935710,EMOLS-id_323255986	378.264	WVNYSYHSPZZITP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100311
Brc1ccc(nc1)C(NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101704403	378.267	KXQKSSJSTBAPCR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100312
CC(=O)Nc1ccc(cc1NCc1nnc2n1CCCCC2)Br	EMOLS-id_318312480	378.267	LSXKCWPVSJKXML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100313
Brc1ccc(s1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026578	378.269	STXGGUYCCBSNPK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-100314
CCNC(c1cc2c(s1)CCCCC2)Cc1sccc1Br	PC-id_115848749	384.397	UPJNNGRXTFDCCV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104307
Brc1ccsc1S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026659	378.269	XJDPQNLAHLGFQB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-100315
O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCn2c(C1)ncn2	PC-id_143775144	378.272	UFMWQWCQIGESHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100316
O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCn2c(C1)nnc2	PC-id_143775169	378.272	XBJORAVIYBJUNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100317
O=C(Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O)NOC=[P+](C)[O-]	PC-id_141055246	378.273	JLMLROPRGBLFTR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-100318
CCC(c1nnc2n1CCCCC2)NC(c1cncc(c1)Br)C	EMOLS-id_318393871	378.31	STMZCGPLRXXBHQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100319
O=C(Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O)NOC(P)(C)C	PC-id_141055255	378.316	VWCUUGZKPZBISP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-100320
[Se]1CCSCC[Se]c2sc(=S)sc12	PC-id_10809641	378.318	QRJAVJSCRUAWCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100321
O=C1NCCCc2occ(C(=O)N3CCC[C@H]3c3cc(F)cc(F)c3F)c12	ZINC22_2325783686	378.345	USQFIQYVHPEAIC-AWEZNQCLSA-N	00000010100000110100100000000010000000000000000000000000	31-01-100322
O=C1NCCCc2occ(C(=O)N3CCC[C@@H]3c3cc(F)cc(F)c3F)c12	ZINC22_2325783687	378.345	USQFIQYVHPEAIC-CQSZACIVSA-N	00000010100000110100100000000010000000000000000000000000	31-01-100323
O=C(CN1CCCc2occc2C1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1	ZINC22_585083924,EMOLS-id_177221314,MCULE-1320174417	378.348	FYEMANBNQALFKL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100324
c1(C(F)(F)F)[nH]c2c(cc(cc2)C(=O)NCc2nnc3CCCCCn23)n1	CoCoCo_507303,EMOLS-id_30450601,SYN-22962992,MCULE-5426475271,ZINC22_19662314,CoCoCo_507302	378.352	MENGIXJSVNDCQP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100325
Fc1ccc(Cn2c3c(nc2)c(=O)nc([nH]c3=O)NCc2ccncc2)cc1	PC-id_29184257	378.36	KUANMWHSMSWLDN-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-100326
c1(cn2c(CCN(CC2)C(=O)Cn2cnnn2)n1)C(=O)N1C[C@H]([C@H](F)C1)O	MCULE-8498243346,EMOLS-id_331149880,ZINC22_1875251633	378.362	PFVLGVZJFQHOFR-ZYHUDNBSSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100327
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NCC(F)(F)F	PC-id_8254624	378.367	HNGOYBRETDAMQQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100328
Brc1cc2c(s1)CCC(NCCCCc1ccccc1)CC2	CHEMBL4645300	378.37	SYIKAIKFTMRTJJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100329
OC(=O)CCN(C(=O)c1noc2c1CCCCC2)Cc1ccc(c(c1)F)F	EMOLS-id_57598153,PC-id_120520217,MCULE-5004795710	378.37	CGMDKSZBJCDOGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100330
c12CN(CCCn1nc(CNC(=O)c1cc(F)c(c(F)c1)OC)c2)C(=O)C	EMOLS-id_44450621,ZINC22_82160702,MCULE-2218736782,PC-id_70782421	378.373	JFIMCSIPRHMSSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100331
c1(C(=O)NCCO)cc2n(CCCN(C(=O)Cc3ccc(c(F)c3)F)C2)n1	PC-id_50960569,SCHEMBL16100070,EMOLS-id_32391746,MCULE-3747466678,ZINC22_65396755	378.373	IASBYMIVASXESF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100332
O(CC(=O)c1c2-c(c(c1)C(=O)OC)ccccc2)c1c(cccc1OC)C=O	PC-id_11025255	378.375	VSPZHJDGSXZDBJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-100333
O=C(c1cc(F)c(c(c1)F)N1CCOCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102175466	378.377	WTIZCOKPDLANDX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-100334
c1(ccc([nH]c1=O)c1ccccc1)C(=O)N1CCCn2c(cc(n2)C(=O)O)C1	ZINC22_65371562,MCULE-5356454932,PC-id_50949632,EMOLS-id_32370858	378.381	GCTGSDXTITYFQU-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-100335
O1CCN(CCn2c1nc([N+](=O)[O-])c2)C(=O)c1ccc(cc1)c1ccccc1	PC-id_71571031	378.381	HDSQLODQDBGGOE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100336
c1(C(=O)Nc2ccccc2)cc2n(CCCN(C(=O)c3cnc(cn3)O)C2)n1	EMOLS-id_32391388,PC-id_50960376,ZINC22_65396529,MCULE-5612779841	378.385	SZAWYUJQPMFAPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100337
O=C1C(C=NC(=O)c2ncn(n2)Cc2ccccn2)CCn2c(N1C)ccn2	PC-id_145225280	378.388	NKMMHGDRSUUDEV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100338
C1(CC1)(C(F)(F)F)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	EMOLS-id_36461439,MCULE-4573815081,ZINC22_67934590,PC-id_56720472	378.391	ZZDLNMBFXDNQAG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-100339
FC(F)(F)c1c(C2C(C2)C(=O)NCc2n3CCCCCc3nn2)cccc1	EMOLS-id_44522614,PC-id_71899506,MCULE-9424283071	378.391	MQLBXMHKMZQSME-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-100340
FC(F)(F)c1cc(C=CC(=O)NCCc2n3CCCCCc3nn2)ccc1	EMOLS-id_44070667,MCULE-8464259041,PC-id_72028697	378.391	WQDPFPHSIPLKMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100341
O=C(C1CCn2c(CC1)nnc2)N[C@@H]1C[C@H](C1)c1cccc(c1)C(F)(F)F	EMOLS-id_316727248	378.391	JUUVHVKYTLNKKW-BVEJGKANSA-N	00001000100000110101100000000010000000000000000000000000	31-01-100342
O=C(C1CCn2c(CC1)nnc2)N[C@@H]1C[C@H](C1)c1ccc(cc1)C(F)(F)F	EMOLS-id_320152132,MCULE-9436803785	378.391	ZEMZWEQERIMZAY-QCMUWMSMSA-N	00001000100000110101100000000010000000000000000000000000	31-01-100343
O=C(/C=Cc1cccc(c1)C(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_93984012	378.391	WQDPFPHSIPLKMI-HJWRWDBZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100344
O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCc1nnc2n1CCCCC2	PC-id_51112978,ZINC22_44225780	378.391	WQDPFPHSIPLKMI-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100345
O=C(N1CCC(C1)c1cccc(c1)C(F)(F)F)C1CCn2c(CC1)nnc2	EMOLS-id_319763588	378.391	PCOJPTSVCPXOPA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-100346
O=C(N1CCC(C1)c1ccc(cc1)C(F)(F)F)C1CCn2c(CC1)nnc2	MCULE-9250828104,EMOLS-id_320013756	378.391	TWCVQHMLSTXIET-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-100347
O=C(N(C1CC1)Cc1ccc(cc1)C(F)(F)F)C1CCn2c(CC1)nnc2	EMOLS-id_319990059,MCULE-6961489242	378.391	NNGFTNHQMDSJLC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-100348
CN(Cc1nnc2n1CCCCC2)Cc1[nH]c2c(n1)cc(cc2)C(F)(F)F	MCULE-2363824886,EMOLS-id_319883108	378.395	HSASSMPVFAXAAD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100349
O=C(O[C@@H](c1ccccc1)c1cccc(F)c1)c1cc2n(c1)CCCNC2=O	ZINC22_2325852491	378.396	HXFPCKMURGFXOH-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100350
O=C(O[C@H](c1ccccc1)c1cccc(F)c1)c1cc2n(c1)CCCNC2=O	ZINC22_2325852492	378.396	HXFPCKMURGFXOH-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100351
c1(NC(=O)c2ccc(N(=O)=O)o2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_30108605,ZINC22_4134790,ChEMBL-DNDi_CHEMBLF0817-0356,PC-id_3562895,CoCoCo_5015582,MCULE-8532083527	378.4	GAICBJARUUJRBL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-100352
OC(=O)c1cc(NC(=O)c2noc3c2CCCCC3)cc(c1)S(=O)(=O)C	MCULE-5750553103,EMOLS-id_57626703,PC-id_120529435	378.4	XSGDBZBPEZCKDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100353
c1(C(=O)OC)cc2n(CCCN(C(=O)c3ccc(cc3)S(=O)(=O)N)C2)n1	ZINC22_65451493,PC-id_50972403,MCULE-4650254467,EMOLS-id_32414040	378.403	ZJFGPVKFMHZWGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100354
c1(NC(=O)c2n[nH]cc2N(=O)=O)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_4055822,MCULE-6717140144,PC-id_17021454,CoCoCo_6583431,TIMTEC133545,ZINC22_6265873,CoCoCo_6583432	378.403	DUTCCUMVBWHGMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100355
c1(NC(=O)Cn2ncc(N(=O)=O)c2)sc2c(CCCCC2)c1C(=O)OC	PC-id_4916275,MCULE-4405822224,CoCoCo_1979801,EMOLS-id_6803140,ZINC22_4686839,TIMTEC567716	378.403	YFALPXAGCFLCCK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100356
Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1CCCn2nc(CO)cc2C1	EMOLS-id_55709164,MCULE-8811001579,PC-id_91796908	378.403	NWOHYIJCXXVJLR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100357
CCOC(=O)c1c(NC(=O)c2[nH]nc(c2)N(=O)=O)sc2c1CCCCC2	PC-id_135840800,SPECS-id_AN-153/I138355,MCULE-2106914135	378.403	XVXGEDMMVVQEOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100358
s1c2CCCCCCc2cc1C(=O)NNC(=O)CC(O)(C(F)(F)F)C	PC-id_84927158	378.41	KAIWJHYHYTXDSA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100359
s1c2CCCCCCc2cc1C(=O)NNC(=O)C[C@@](O)(C(F)(F)F)C	PC-id_9089389	378.41	KAIWJHYHYTXDSA-OAHLLOKOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100360
s1c2CCCCCCc2cc1C(=O)NNC(=O)C[C@](O)(C(F)(F)F)C	PC-id_9089390	378.41	KAIWJHYHYTXDSA-HNNXBMFYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100361
FC(F)(F)c1cccc(c2csc(Cc3nnc4n3CCCCC4)n2)c1	MCULE-8743989902,EMOLS-id_2993677,CoCoCo_3761381,ZINC22_3236447,PC-id_2354315	378.415	FXEINUKOTIQHKP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100362
c12CN(CCC)CCCn1nc(CNC(=O)c1c(F)ccc(OC)c1F)c2	ZINC22_82106256,EMOLS-id_44431755,MCULE-6820645329,PC-id_70728352	378.416	AJJQPBCELBPXKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100363
c12CN(CCC)CCCn1nc(CNC(=O)c1c(OC)ccc(F)c1F)c2	ZINC22_82161559,PC-id_70784276,EMOLS-id_44451279,MCULE-7504259187	378.416	IKDPRIOZOKHEFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100364
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(c(F)c1F)C	PC-id_72868422,ZINC22_91526884,EMOLS-id_46047227,MCULE-3041884109	378.416	UVHFDTAEBCQBFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100365
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1c(F)ccc(C)c1F	MCULE-8666719272,ZINC22_91645887,PC-id_72887787,EMOLS-id_46061363	378.416	IXPIZAGYABCZTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100366
CC(Cn1nc2n(c1=O)C(CCCC2)C(=O)NCc1ccc(cc1F)F)C	MCULE-3371333831,EMOLS-id_207869367	378.416	VXSPTTUNNNSLIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100367
O(C(=O)c1c(c(c2-c1ccc(O)cc2)C(=O)OCC)Cc1ccccc1)CC	PC-id_15032932	378.418	NEZOJSAVRYEHCA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-100368
CN=C(NCc1nnc2n1CCCCC2)NCc1ccccc1OC(F)F	PC-id_111865246	378.42	QMUNKIKYTMCMKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100369
CN(C(=O)Cn1nc(cc1C1CC1)C(F)F)Cc1nnc2n1CCCCC2	EMOLS-id_320229456,MCULE-6531082361	378.42	NLDNBVWVRFWHCP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-100370
O=C(Cn1nc(cc1C1CC1)C(F)F)NCCc1nnc2n1CCCCC2	MCULE-4842227406,EMOLS-id_319851234	378.42	PCGBEGBDAJDLGX-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-100371
CCOC(=O)c1cc(c2-c1ccc(cc2)NNc1ccccc1)C(=O)OCC	PC-id_101270415	378.421	UBYFKAFLQQJAAQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-100372
O(C(=O)C(CCCCn1c2NC=NCC(=O)c2nc1)(C)C(=O)OCC)CC	PC-id_10785897	378.423	FVRAMGRFGBLVHN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-100373
c12C(=O)N(CCCn1nc(C(=O)NCc1ccco1)c2)Cc1ccc(cc1)C	PC-id_50797854,MCULE-9455342077,EMOLS-id_32846108	378.424	OYTWZRZDMVCEKO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100374
c12C(=O)N(CCCn1nc(C(=O)NCc1ccco1)c2)Cc1cccc(C)c1	EMOLS-id_32633110,MCULE-9922071243,PC-id_53029186	378.424	BUUPLXISIPNZHP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100375
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccco1)c2)Cc1ccccc1	PC-id_50798062,MCULE-8658914066,EMOLS-id_32846072	378.424	MQMJCAQVQALWOP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100376
C1CN(Cc2cc(nn2C1)C(C1CC1)O)C(=O)c1c(onc1)c1ccccc1	PC-id_90649603	378.424	DPSSJKNHMOYXBH-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-100377
C1CN(CCn2c1nn(c2=O)Cc1ccccc1)C(=O)COc1ccccc1	PC-id_91922506,MCULE-8523387642,EMOLS-id_50585975	378.424	CMNGLIKVXXRBCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100378
c1(C(O)c2ccccc2)cc2n(CCCN(C2)C(=O)c2cccnc2OC)n1	PC-id_91760841,MCULE-1438548279,EMOLS-id_55605214	378.424	CHBPPXDVLQQNJP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-100379
c1(C(=O)NC(c2ccccc2)c2ccco2)cc2n(CCCN(C(=O)C)C2)n1	PC-id_50957481,EMOLS-id_32385896,MCULE-1355993908	378.424	NGYAQYLVTRLPSH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100380
Cc1ccc(cc1)NC(=O)c1nn2CCCN(Cc2c1)C(=O)c1c(cco1)C	PC-id_137634314	378.424	LNEQJPKPNNUESQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100381
Cc1cc(ccc1)NC(=O)c1nn2CCCN(Cc2c1)C(=O)c1c(cco1)C	PC-id_137660991	378.424	OMQBVHVNPOMENF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100382
Cc1ccc(o1)CNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	EMOLS-id_37131569,MCULE-2758875691,PC-id_53039083	378.424	BJWRMCMBILAHQW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100383
Cc1cc(c(o1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1)C	PC-id_137648770	378.424	HUZFNAZUGWIARW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100384
Cc1coc(c1C)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	PC-id_137644953	378.424	BCBVFNWTGIHJKZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100385
Cc1c(oc(c1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1)C	PC-id_137660444	378.424	UJBVXCJCUONENU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100386
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2C)C1	PC-id_137640702	378.424	GARXLIVTRCDCIH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100387
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)N(C)c2ccccc2)C1	PC-id_137638816	378.424	KLLGAKSYSYXRLL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100388
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)NCc2ccccc2)C1	PC-id_137647537	378.424	OGXUOYSYOGGUSG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100389
CCc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	PC-id_137639980	378.424	KLIOVRSSNDXXPC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100390
CC(=O)N1CCCn2nc(C(=O)N[C@H](c3ccccc3)c3ccco3)cc2C1	PC-id_95124040,ZINC22_65387673	378.424	NGYAQYLVTRLPSH-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100391
CC(=O)N1CCCn2nc(C(=O)N[C@@H](c3ccccc3)c3ccco3)cc2C1	ZINC22_65387672,PC-id_95124039	378.424	NGYAQYLVTRLPSH-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100392
COc1cccc(c1)CN1CCc2c(CC1)oc(n2)C(=O)Nc1cnccc1	PC-id_134807186	378.424	QUJDSBONCQVQGO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-100393
COc1ccccc1C(=O)N1CCc2nn(c(=O)n2CC1)Cc1ccccc1	PC-id_91922490	378.424	ZBWSPHAINXATOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100394
COc1cc(ccc1NC(=O)C1CCn2c(CC1)nnc2)Oc1ccccc1	EMOLS-id_320148245,MCULE-8157071710	378.424	JTEQLMLLCWNGDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100395
COc1ncccc1C(=O)N1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_100006451	378.424	CHBPPXDVLQQNJP-IBGZPJMESA-N	00000000100000111101000000000010000000000000000000000000	31-01-100396
COc1ncccc1C(=O)N1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_100006453	378.424	CHBPPXDVLQQNJP-LJQANCHMSA-N	00000000100000111101000000000010000000000000000000000000	31-01-100397
n1c(CNC(=O)c2cccc(c2)c2ccc(C(=O)N)o2)c2c(CCCCC2)[nH]1	MCULE-9472245691,PC-id_121496006,ZINC22_426386874,EMOLS-id_177371408	378.424	IWRKVWMIULUMSN-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-100398
n1n2CCCN(Cc3ccc(c4ccccc4C#N)o3)Cc2cc1C(CO)O	EMOLS-id_50536207,MCULE-3357114936,PC-id_90650164	378.424	DZHDUMAEUXLGAR-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-100399
N#Cc1ccccc1c1ccc(CN2CCCn3nc([C@H](O)CO)cc3C2)o1	PC-id_100054156,ZINC22_220190493	378.424	DZHDUMAEUXLGAR-HXUWFJFHSA-N	00000000101000110101100000000010000000000000000000000000	31-01-100400
N#Cc1ccccc1c1ccc(CN2CCCn3nc([C@@H](O)CO)cc3C2)o1	ZINC22_220190425,PC-id_100054154	378.424	DZHDUMAEUXLGAR-FQEVSTJZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-100401
N#Cc1ccc(cc1)N1CCCC(C1=O)NC(=O)N1CCCc2c(C1)cco2	EMOLS-id_99673166	378.424	FORWDGXGOWMIQF-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-100402
O=C1NC2(n3c1c(C)cc(c3=O)NC1=NC=CCc3c1cco3)CCCCC2	PC-id_142402573	378.424	YKJSSKKJYMRLRR-UHFFFAOYSA-N	00000010100010100111000000000010000000000000000000000000	31-01-100403
O=C(c1cnoc1c1ccccc1)N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O	PC-id_100048851	378.424	DPSSJKNHMOYXBH-IBGZPJMESA-N	00100000100000110101100000000010000000000000000000000000	31-01-100404
O=C(c1cnoc1c1ccccc1)N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O	PC-id_100048854	378.424	DPSSJKNHMOYXBH-LJQANCHMSA-N	00100000100000110101100000000010000000000000000000000000	31-01-100405
O(C(=O)C1CC1)c1c(OC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_78650319	378.424	KYWXVUVLLDOFDL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-100406
O(C(=O)C1CC1)c1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_8275317	378.424	KYWXVUVLLDOFDL-LFIBNONCSA-N	00100000100000110101000000000010000000000000000000000000	31-01-100407
c1(C(=O)NCCN2CCN(C)C2=O)cn2c(CCN(C(=O)[C@H](C)O)CC2)n1	EMOLS-id_331130943,MCULE-9999024812,ZINC22_1875251530	378.426	RMJUSZWREMKINA-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100408
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1cnc(nc1)c1ccccn1	EMOLS-id_46626386,PC-id_72890879,MCULE-8290817140,ZINC22_95372841	378.428	SLMLDHMOADNVFJ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-100409
c12CN(CCCn1nc(CNC(=O)c1ccc(nc1)C#N)c2)C(=O)C1CCC1	PC-id_72896502,MCULE-7092017753,EMOLS-id_46067659,ZINC22_91693736	378.428	DHYWSEUSDPWNBM-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-100410
c1(c(C)cc([nH]c1=O)C)C(=O)N1CCn2c(CC1)nnc2Cc1cccnc1	ZINC22_92077065,PC-id_70786478,EMOLS-id_44748598,MCULE-9470121675	378.428	GRZLZEPIOYIYHA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100411
c1(cnc(nc1O)c1cccnc1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	MCULE-2942669967,EMOLS-id_46092679,ZINC22_92020614,PC-id_72930849	378.428	LNLDZVVESQVHHS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-100412
c1(C(=O)N2CCCn3c(cc(n3)C(O)C3CC3)C2)cn(nn1)c1ccccc1	PC-id_90650196,EMOLS-id_50536341,MCULE-3829988717	378.428	AXNYUHHGQIUHRI-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-100413
c1(nnc2CCCCCn12)C(=O)N1C(C)CN(C(=O)C1)c1ccccc1C#N	EMOLS-id_43567407,MCULE-4447047406,PC-id_70725893	378.428	INMZFRKVRPTUJE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-100414
Cc1ccc(cc1)CC(=O)N1CCc2n(CC1)c(nn2)COc1cncnc1	PC-id_97405415	378.428	RQQFTKCOVZZEPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100415
Cc1cc(=O)c(C(=O)NCc2nnc3n2CCCCC3)nn1c1ccccc1	ZINC22_40012935,EMOLS-id_30238413,PC-id_45859677,MCULE-3183799715	378.428	LJFZBCDLCQAAOP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100416
Cc1cn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19224402	378.428	YEICFQVSWNLDGX-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100417
CCc1ccc(cc1)C(=O)N1CCc2n(CC1)c(nn2)COc1cncnc1	PC-id_97405416	378.428	PBMWHFKIBOQVNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100418
C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)c1nnc2n1CCCCC2	ZINC22_77354889,PC-id_96375840	378.428	INMZFRKVRPTUJE-CQSZACIVSA-N	00000000100010110101100000000010000000000000000000000000	31-01-100419
C[C@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)c1nnc2n1CCCCC2	ZINC22_77354891,PC-id_96375841	378.428	INMZFRKVRPTUJE-AWEZNQCLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-100420
COc1ccc(NC(=O)N2CCc3nnc(Cc4ccccc4)n3CC2)cn1	ZINC22_97117698,MCULE-5800544815,PC-id_74230662,EMOLS-id_49640088	378.428	OJKSQCOATWRNEU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-100421
COc1ncc(cn1)CN1CCc2ncc(n2CC1)C(=O)Nc1ccccc1	PC-id_134810666	378.428	IVDAAHUTYPMJAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100422
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)c1cc([nH]n1)C1CC1	EMOLS-id_50585943,MCULE-8728976259,PC-id_91910715	378.428	UKLHJKQEIWVHRA-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-100423
n1c(Cc2ccccc2)nn2CCN(C(=O)CCc3ccc(=O)[nH]n3)CCc12	ZINC22_2356148822,EMOLS-id_337791543,MCULE-8580352517	378.428	UUAUHIOADLYVOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100424
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ccn(n1)Cc1ccccc1	SCHEMBL18367357	378.428	NXQRMOONZIGZOZ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100425
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(c1)Cc1ccccc1	SCHEMBL18367382	378.428	NVTUEASSXGENRC-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100426
O=C1Nc2c(C)cn(c2CCC1C(c1nnc([nH]1)C(=O)N)c1ccccc1)C	SCHEMBL19031583	378.428	ICZRZORODHTIOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100427
O=C1Nc2c(C)cn(c2CCC1NC(=O)c1nnc([nH]1)Cc1ccccc1)C	SCHEMBL19031674	378.428	AGUAGWBSQKATCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100428
O=C1N(CCCn2nc(cc12)C(=O)NCCc1[nH]cnc1)Cc1ccccc1	PC-id_46347964,CoCoCo_2544492,CoCoCo_2544493	378.428	OMPQMFVYMPCDLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100429
O=C(c1cn(c2ccccc2)nn1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_220218108,PC-id_100054647	378.428	AXNYUHHGQIUHRI-IBGZPJMESA-N	00100000100000110101100000000010000000000000000000000000	31-01-100430
O=C(c1cn(c2ccccc2)nn1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_220218165,PC-id_100054649	378.428	AXNYUHHGQIUHRI-LJQANCHMSA-N	00100000100000110101100000000010000000000000000000000000	31-01-100431
O=C(Nc1cccnc1)CC1CCn2c(CC1)nn(c2=O)Cc1cccnc1	EMOLS-id_207877212,MCULE-5607278395	378.428	GVMYVEGNELSKKV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100432
O=C(NCc1ccc(c2ccncc2)cc1)NCc1nnc2n1CCOCC2	MCULE-6020157097,ZINC22_1615592991,EMOLS-id_320322497	378.428	WSOHRGGAROVZNC-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-100433
s1c2c(CCCCC2)c(c1NC(=O)CCc1c(F)ccc(F)c1)C(=O)N	PC-id_60564671	378.436	GIQCROHLUJLNPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100434
s1c2CCCCCCc2cc1C(=O)NCC(=O)Nc1cc(F)c(F)cc1	PC-id_26308942	378.436	VBKGDHFAENJQQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100435
CS(=O)(=O)N(CC[C@H]1CCCC1(F)F)Cc1nnc2n1CCOCC2	ZINC22_1615553730	378.438	YQQZVRUZJXDYHQ-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100436
CS(=O)(=O)N(CC[C@@H]1CCCC1(F)F)Cc1nnc2n1CCOCC2	ZINC22_1615553731	378.438	YQQZVRUZJXDYHQ-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100437
FC1(F)CCCC1CCN(S(=O)(=O)C)Cc1nnc2n1CCOCC2	MCULE-5660542970,EMOLS-id_320275925	378.438	YQQZVRUZJXDYHQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100438
Cc1ccc(cc1)C(=O)C1CCCn2c(C1)cc(n2)OCc1cccc(c1)F	SCHEMBL16978523,PC-id_118283223	378.439	AHQZTNGKZYTLFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100439
Cc1nn(C(F)F)c(C)c1CC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_44552863,PC-id_71884970,ZINC22_65530476,MCULE-4758570371	378.439	YVDUGTBDCGFLMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100440
COC(=O)c1ccc(cc1)OCCCCOC1COc2c(OC1)csc2	SCHEMBL13701410,PC-id_57838394	378.439	ZZGZCNQDLDACOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100441
Fc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C(C)C)C)CC2)ccc(F)c1	PC-id_42323390	378.439	ADVNIGBKADEOEE-ZDUSSCGKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-100442
Fc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C(C)C)C)CC2)ccc(F)c1	PC-id_42323392	378.439	ADVNIGBKADEOEE-CYBMUJFWSA-O	00000000100000110101000000000010000000000000000000000000	31-01-100443
Fc1c(C[NH+]2CCn3c(nnc3C(NC(=O)C(C)C)C)CC2)ccc(F)c1	PC-id_74792131	378.439	ADVNIGBKADEOEE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-100444
Fc1c(C[NH+]2CCn3c(nnc3CNC(=O)C(CC)C)CC2)ccc(F)c1	PC-id_74800941	378.439	OFALFCKUIISUQR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-100445
Fc1c(C[NH+]2CCn3c(nnc3CNC(=O)[C@@H](CC)C)CC2)ccc(F)c1	PC-id_42405593	378.439	OFALFCKUIISUQR-CYBMUJFWSA-O	00000000100000110101000000000010000000000000000000000000	31-01-100446
Fc1c(C[NH+]2CCn3c(nnc3CNC(=O)[C@H](CC)C)CC2)ccc(F)c1	PC-id_42405594	378.439	OFALFCKUIISUQR-ZDUSSCGKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-100447
C1CN(CCn2c1ncc2C(=O)NCc1ccccc1)Cc1ccc(cc1)F	PC-id_134806873	378.443	VKEJBXIVTYWGCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100448
C1CN(CCn2c1ncc2C(=O)NCc1ccccc1)Cc1ccccc1F	PC-id_134807156	378.443	AMKMTOBDLCBELP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100449
c1(NC(=O)C2C3CCC(O3)C2C(=O)O)sc2c(CCCCC2)c1C(=O)N	PC-id_17378831,EMOLS-id_4055962,TIMTEC454149,MCULE-6952880714	378.443	SOHZVDDTMVVBAV-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100450
CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCCCC3)NC(=O)NC1	ZINC22_18261108,EMOLS-id_30238651,PC-id_27909674,MCULE-5714437796	378.443	OXMNKRKUJXIIHD-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-100451
COc1ccc(cc1C(=O)N(C)C)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99299302	378.443	VDCRMCIJVRMCRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100452
Fc1ccc(cc1)CN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1	EMOLS-id_320069809,MCULE-5614140276	378.443	OEPVNUDETGXICO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100453
Fc1c(C(=O)NCc2n3CCCCCc3nn2)ccc(c2ccc(cc2)C)c1	PC-id_60269209	378.443	YFETZSNIKHXFNI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100454
NC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_100745402,ZINC22_225759063	378.443	SOHZVDDTMVVBAV-MHWZDGSBSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100455
NC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_27520699,CoCoCo_6830650,ZINC22_17077376	378.443	SOHZVDDTMVVBAV-PJQZNRQZSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100456
NC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_27520701,ZINC22_17077377,CoCoCo_6830646	378.443	SOHZVDDTMVVBAV-DJBIQUGXSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100457
NC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_51706301,CoCoCo_6830649,ZINC22_35898117	378.443	SOHZVDDTMVVBAV-QOBDMFJFSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100458
NC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_51706303,CoCoCo_6830645,ZINC22_35898118	378.443	SOHZVDDTMVVBAV-OAACRXHESA-N	00000010100010000100000000000110000000000000000000000000	31-01-100459
NC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_102337503,PC-id_98300209	378.443	SOHZVDDTMVVBAV-ZNIXKSQXSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100460
NC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_102337507,PC-id_98300210	378.443	SOHZVDDTMVVBAV-NUZBWSBOSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100461
NC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_225759086,PC-id_100745407	378.443	SOHZVDDTMVVBAV-JYILRKAJSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100462
NC(=O)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCC2	ZINC22_239412325	378.443	SOHZVDDTMVVBAV-DMTCVQMQSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100463
NC(=O)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCC2	ZINC22_239412326	378.443	SOHZVDDTMVVBAV-XYHOJCAOSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100464
O=C(C1CCn2c(CC1)nnc2)NC(c1ccccc1F)Cc1ccccc1	EMOLS-id_319575571	378.443	GMSYRNUNASTTLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100465
O=C(N(Cc1ccccc1F)Cc1ccccc1)C1CCc2n(CC1)cnn2	MCULE-1266546232,EMOLS-id_320018997	378.443	YWLGLZTUKAFJLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100466
OC(=O)[C@@H]1[C@@H]2CC[C@H]([C@@H]1C(=O)Nc1sc3c(c1C(=O)N)CCCCC3)O2	CoCoCo_6830647	378.443	SOHZVDDTMVVBAV-XXSPCDMZSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100467
OC(=O)[C@@H]1[C@H]2CC[C@@H]([C@@H]1C(=O)Nc1sc3c(c1C(=O)N)CCCCC3)O2	CoCoCo_6830648	378.443	SOHZVDDTMVVBAV-GIFSMMMISA-N	00000010100010000100000000000110000000000000000000000000	31-01-100468
S(=O)(=O)(c1c2-c(cc1Sc1ccccc1)ccccc2)c1ccc(cc1)C	PC-id_25111846	390.518	DAYPMPRJBFXXOK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-108651
OC(=O)[C@@H]1[C@@H]2CC[C@H]([C@H]1C(=O)Nc1sc3c(c1C(=O)N)CCCCC3)O2	CoCoCo_6830651	378.443	SOHZVDDTMVVBAV-RDBQEKCUSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100469
OC(=O)[C@@H]1[C@H]2CC[C@@H]([C@H]1C(=O)Nc1sc3c(c1C(=O)N)CCCCC3)O2	CoCoCo_6830652	378.443	SOHZVDDTMVVBAV-GZZJDILISA-N	00000010100010000100000000000110000000000000000000000000	31-01-100470
s1c2c(CCCCC2)c(c1NC(=O)CCN1C(=O)CCC1=O)C(=O)OC	PC-id_52638606	378.443	KGSQJQXGXOEALA-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-100471
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)CCC1=O)C(=O)OCC	PC-id_4461818	378.443	GCPCXILCCMYKEX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-100472
c1(ccc2NC(=O)/C(=Cc3ccc4-c3ccccc4)/c2c1)S(=O)(=O)N(C)C	BindingDB_PC-id_52949299,CHEMBL1257922,SCHEMBL3288274,PC-id_52949299	378.444	XIEWBCOXJCLOQY-UNOMPAQXSA-N	00000010100000100110000000001010000000000000000000000000	31-01-100473
CN(OOSc1ccc2c(c1)/C(=C/c1ccc3-c1ccccc3)/C(=O)N2)C	SCHEMBL13324731,PC-id_59301638	378.444	NQBRGBXWVRSFJS-UNOMPAQXSA-N	00000010100000100110000000001010000000000000000000000000	31-01-100474
O=C1Nc2c(C1=Cc1ccc3-c1ccccc3)cc(cc2)S(=O)(=O)N(C)C	SCHEMBL3288278,PC-id_25264353	378.444	XIEWBCOXJCLOQY-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-100475
S(OON(C)C)c1cc2C(=Cc3c4-c(cc3)ccccc4)C(=O)Nc2cc1	PC-id_72251203	378.444	NQBRGBXWVRSFJS-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-100476
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc(cc1)C(=O)O	EMOLS-id_46089279,PC-id_72926203,ZINC22_91966240,MCULE-6594549051	378.446	VMNXIISHDNIRED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100477
c1(C(=O)NCc2ccccc2OC)cn2c(CCN(CC2)S(=O)(=O)C)n1	MCULE-9604654589,EMOLS-id_331142914,ZINC22_1875240662	378.446	DHVHXNRALJUOGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100478
c1(C(=O)OC)cc2n(CCCN(Cc3ccc(cc3)S(=O)(=O)NC)C2)n1	PC-id_50950310,ZINC22_65372407,MCULE-7109399228,EMOLS-id_32372162	378.446	MWCGHDOOFTXJQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100479
Cc1cc(cc(c1C)S(=O)(=O)N)C(=O)N1CCCn2nc(CO)cc2C1	MCULE-4912469373,PC-id_91793093,EMOLS-id_55697929	378.446	VXSPCDUMOIZEJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100480
Cc1cc(ccc1O)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_82127557,MCULE-2146541165,PC-id_70758262,EMOLS-id_44442291	378.446	ILJIKZPCIFRFSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100481
Cc1ccc(cc1O)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_91535950,PC-id_72868939,MCULE-6720630344,EMOLS-id_46047589	378.446	CAGJSBWAOGMTAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100482
Cc1c(cc(cc1)S(=O)(=O)N)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	PC-id_91770711,MCULE-8092655134,EMOLS-id_55633106	378.446	RKPLHKYIEIRXGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100483
Cc1ccc(O)c(c1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_44441523,MCULE-5290626689,ZINC22_82126088,PC-id_70756045	378.446	UNDVMUIVIHCNDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100484
Cc1cc(C(=O)O)cc(S(=O)(=O)NCc2nnc3n2CCCCC3)c1C	ZINC22_13088874,PC-id_45421298,EMOLS-id_45730145,MCULE-8152384311	378.446	SGNZKOCACYUARB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100485
Cc1c(O)cccc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70729274,EMOLS-id_44432071,MCULE-5134002716,ZINC22_82106585	378.446	XUQCROZZRORLMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100486
C[C@H](c1cc2n(n1)CCCN(C2)C(=O)c1cc(ccc1C)S(=O)(=O)N)O	PC-id_99973597	378.446	RKPLHKYIEIRXGX-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100487
C[C@@H](c1cc2n(n1)CCCN(C2)C(=O)c1cc(ccc1C)S(=O)(=O)N)O	PC-id_99973598	378.446	RKPLHKYIEIRXGX-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100488
Cn1c(=O)n2CCC(CCc2n1)NC(=O)CCS(=O)(=O)c1ccccc1	PC-id_91922667	378.446	QLMDCOCYGVDCGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100489
CNC(=O)c1cccc(c1)S(=O)(=O)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_99981846	378.446	CULSLBKBSVJOLE-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100490
CNC(=O)c1cccc(c1)S(=O)(=O)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_99981849	378.446	CULSLBKBSVJOLE-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100491
CNC(=O)c1cccc(c1)S(=O)(=O)N1CCCn2nc(cc2C1)C(C)O	EMOLS-id_55674655,MCULE-5578968055,PC-id_91785112	378.446	CULSLBKBSVJOLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100492
COc1cccc(c1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_70737114,ZINC22_82108789,EMOLS-id_44434865,MCULE-6558650217	378.446	SJWJOTAKKPADCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100493
COc1ccc(cc1)S(=O)(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-8713692139,EMOLS-id_55716820	378.446	IBWFXWHKZCNTRT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-100494
COc1ccc(cc1S(=O)(=O)N1CCCc2c(C1)cnn2C)NC(=O)C	EMOLS-id_318336852	378.446	IGAQJLLAQSRHPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100495
COc1ccccc1S(=O)(=O)NCc1cc2CN(CCCn2n1)C(=O)C	MCULE-4440468479,PC-id_70734021,EMOLS-id_44433809,ZINC22_82107947	378.446	LMIGZNLIMXXMPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100496
COCCc1noc(CN(C)C(=O)CN2CCCc3sccc3C2=O)n1	ZINC22_89364884,MCULE-8765475422,EMOLS-id_45767274,PC-id_71853156	378.446	AFZCPEZYHHVJCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100497
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccc(CO)cc3)cc2C1	MCULE-3126702703,PC-id_70760754,EMOLS-id_44443099,ZINC22_82134030	378.446	ZUQUFPGEQIUIFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100498
CS(=O)(=O)N1CCCn2nc(CNC(=O)Cc3cccc(O)c3)cc2C1	ZINC22_91664024,PC-id_72891715,EMOLS-id_46064139,MCULE-5870371599	378.446	AKKXCDDOZKOXGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100499
CS(=O)(=O)N1CCCn2nc(CNC(=O)Cc3ccc(O)cc3)cc2C1	EMOLS-id_44428321,MCULE-8831213662,ZINC22_82097074,PC-id_70718604	378.446	DGKDXNAUHWWHAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100500
CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@H](O)c3ccccc3)cc2C1	MCULE-4926207048,EMOLS-id_46049395,PC-id_72871425,ZINC22_91551288	378.446	PPEXMNJAQYHDQD-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100501
CS(=O)(=O)N1CCCn2nc(CNC(=O)COc3ccccc3)cc2C1	EMOLS-id_46037543,ZINC22_91411166,MCULE-9230780389,PC-id_72854819	378.446	AXLUVOKETPOYCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100502
CS(=O)(=O)NCC1CN(Cc2ccc3OCOc3c2)Cc2ccnn2C1	EMOLS-id_50371421	378.446	RZBXGYZDCJDYNT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-100503
CS(=O)(=O)NC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_247540042	378.446	RZBXGYZDCJDYNT-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-100504
CS(=O)(=O)NC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn2C1	ZINC22_247540050	378.446	RZBXGYZDCJDYNT-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-100505
NC(=O)COc1ccc(cc1)S(=O)(=O)NCc1n[nH]c2CCCCCc12	MCULE-5027063501,ZINC22_826838215,EMOLS-id_232846349	378.446	ULPGEZNXKQGKRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100506
s1c2CCCCCCc2cc1C(=O)NNC(=O)CN1C(=O)CN(C1=O)C	PC-id_9426550	378.446	DAOGRFPMXSHVNQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100507
S(=O)(=O)(CCNC(=O)Cn1nc2n(CCCCC2)c1=O)c1ccccc1	PC-id_55844344	378.446	AJNDNYIEVVAFNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100508
S(=O)(=O)(NCc1nn2CCCN(Cc2c1)Cc1c(cccc1)C(=O)O)C	PC-id_70772078	378.446	RQDZXILQOJXDPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100509
C1CCCc2c(CC1)c(c(s2)/N=C/c1c[nH]c2c1c(ccc2)[N+](=O)[O-])C#N	PC-id_137224968	378.448	WDWHBCGHDIPUFN-FSJBWODESA-N	00000000100000100100000001100010000000000000000000000000	31-01-100510
O=C1Nc2nc(sc2C(=O)N(C1)Cc1ccccc1)NCc1ccccc1	PC-id_142739031	378.448	YCLOBTQASCSUGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100511
O=C(c1nc2c(s1)CCN(CC2)C(=O)c1ccncc1)Nc1ccccc1	PC-id_97524647	378.448	ANARJSHPYFSXJJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-100512
O=C(Nc1cccnc1)c1nc2CCN(CCc2s1)C(=O)c1ccccc1	PC-id_97442441,ZINC22_96146917,EMOLS-id_44303802	378.448	PJZCAVCPHSDEGS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-100513
c1(C(=O)NCc2cc3n(CCCN(C3)S(=O)(=O)C)n2)c2CCCc2[nH]n1	EMOLS-id_44434017,ZINC22_82108091,PC-id_70734710,MCULE-2416597335	378.449	OSRPUAXDFOKYCV-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-100514
Cc1cnc(cn1)C(=O)N1CC(CCNS(=O)(=O)C)Cn2nccc2C1	EMOLS-id_50372317	378.449	MGYTZIMDBPOQAR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100515
Cc1cnc(C(=O)N2Cc3ccnn3C[C@H](CCNS(=O)(=O)C)C2)cn1	ZINC22_306133268	378.449	MGYTZIMDBPOQAR-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100516
Cc1cnc(C(=O)N2Cc3ccnn3C[C@@H](CCNS(=O)(=O)C)C2)cn1	ZINC22_306133269	378.449	MGYTZIMDBPOQAR-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100517
CCc1ncc(cn1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_91636064,PC-id_72883730,EMOLS-id_46058323,MCULE-4660684965	378.449	DQOLNYMWTRXUOB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100518
C/C(=C(/c1c(N)n(C)c(=O)n(c1=O)C)O)/Sc1nnc2n1CCCCC2	CoCoCo_3081934,CoCoCo_3081935	378.449	GZANTSHHPBMPNS-FMIVXFBMSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100519
C/C(=C(c1c(N)n(C)c(=O)n(c1=O)C)/O)/Sc1nnc2n1CCCCC2	CoCoCo_3081936,CoCoCo_3081933	378.449	GZANTSHHPBMPNS-XFXZXTDPSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100520
CCCn1c(N)c(C(=O)CSc2nnc3n2CCCCC3)c(=O)[nH]c1=O	PC-id_7877286,EMOLS-id_11709593,MCULE-4996545199,ChEMBL-DNDi_CHEMBL1513513,CoCoCo_3082021,ZINC22_6097987,CHEMBL1513513,CoCoCo_3082026	378.449	AAQIJQYPDFVZPX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100521
CCCn1c(=O)[nH]c(=O)c(c1N)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3082024,CoCoCo_3082023	378.449	LBFGEAQSWXXLTG-MDZDMXLPSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100522
CCCn1c(=O)[nH]c(=O)c(c1N)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3082025,CoCoCo_3082022	378.449	LBFGEAQSWXXLTG-KTKRTIGZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100523
CC(C(=O)c1c(N)n(C)c(=O)n(c1=O)C)Sc1nnc2n1CCCCC2	EMOLS-id_11651705,MCULE-4459613170,PC-id_16230862	378.449	GOSSRJKOCGNKKD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100524
C[C@H](Sc1nnc2n1CCCCC2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	CoCoCo_3081931,PC-id_40919332,ZINC22_9054538	378.449	GOSSRJKOCGNKKD-VIFPVBQESA-N	00000000100000100101000000000010000000000000000000000000	31-01-100525
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC22_9054539,PC-id_40919333,CoCoCo_3081932	378.449	GOSSRJKOCGNKKD-SECBINFHSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100526
CN(C)C(=O)N1CCCn2nc(CNS(=O)(=O)c3cccnc3)cc2C1	MCULE-1716667199,ZINC22_82106366,EMOLS-id_44431843,PC-id_70728597	378.449	ZTRFDJWGNUYRRI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100527
COC(=O)Cc1csc(NC(=O)NCCc2nnc3n2CCCCC3)n1	PC-id_72155218,EMOLS-id_43369322,MCULE-5713784170,ZINC22_43399969	378.449	ONSCUVZRZXGWNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100528
CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@H](CNc2ncccn2)C1	ZINC22_247545246	378.449	UGQDWPIIPYFDAP-CYBMUJFWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100529
CS(=O)(=O)CCC(=O)N1Cc2ccnn2C[C@@H](CNc2ncccn2)C1	ZINC22_247545249	378.449	UGQDWPIIPYFDAP-ZDUSSCGKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100530
CS(=O)(=O)CCC(=O)N1CCCn2nnc(CNc3cccnc3)c2C1	ZINC22_1142529131,EMOLS-id_313732058	378.449	HMABFJPNFSSFBL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100531
CS(=O)(=O)CCC(=O)N1CC(CNc2ncccn2)Cn2nccc2C1	EMOLS-id_50372527	378.449	UGQDWPIIPYFDAP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100532
NS(=O)(=O)c1ccc(NC(=O)NCCc2nnc3n2CCCCC3)cc1	ZINC22_14198991,MCULE-7992811322,EMOLS-id_13537925,PC-id_17568458,CoCoCo_4574659	378.449	HREOEMISPVGQRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100533
O=C(N1CCCc2c(C1)cnn2C)COc1nsnc1N1CCOCC1	EMOLS-id_319044729	378.449	CGYCSGAOBCTOMA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-100534
O=C(N[C@@H]1c2sccc2OC([C@H]1O)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102107054	378.449	MBGXXLVWDVVXJJ-YJTDSAHGSA-N	00000000100010000101000000010010000000000000000000000000	31-01-100535
S(CC(=O)C1C(N(C2CC2)C(=O)NC1=O)N)c1n2CCCCCc2nn1	PC-id_73251881	378.449	VUNNIISRQYFOEO-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-100536
S(=O)(=O)(N1CCCn2nc(cc2C1)CNC(=O)c1nc(nc(c1)C)C)C	PC-id_70716128	378.449	NYABADHYKZGRRR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-100537
s1c2CCCCCc2c(c1NC(=O)Cn1nc(nn1)c1ccccc1)C#N	PC-id_27995195	378.451	QEDOJGJWZJUCAA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100538
FC(COc1nc2c(s1)CCN(CC2)CC[C@H]1CCCCCO1)(F)F	PC-id_145451652	378.453	URYUQYYLUCHZOM-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100539
OCC1CC(O)CC(O1)c1cc(ccc1OC)Cc1cc2-c(c1)ccccc2	PC-id_143392090	378.461	AKMTWTFBHSEXAO-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-100540
O(C(=O)c1c2-c(c(c1)C#Cc1cc3-c(c1)ccccc3)cccc(C(C)C)c2)C	PC-id_73294619	378.462	VHXXAWUBMCGVDN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-100541
O(C(=O)c1c2-c(c(c1)C#Cc1ccc3-c(cc1)ccc3)cccc(C(C)C)c2)C	PC-id_73294621	378.462	NMSDQOFZLVBPMX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-100542
O=C(N1CCCc2c(C1)cco2)CC1(O)CCCN(C1)C(=O)OC(C)(C)C	EMOLS-id_278814187	378.463	DIQVZVXDIYLSTK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100543
s1c2c(CCCCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)OC	PC-id_53457810	378.463	AMPUZJDFTNGAOY-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-100544
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_2165466	378.463	AMPUZJDFTNGAOY-NWDGAFQWSA-M	00000000100010000100000000000010000000000000000000000000	31-01-100545
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_2165468	378.463	AMPUZJDFTNGAOY-VXGBXAGGSA-M	00000000100010000100000000000010000000000000000000000000	31-01-100546
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_2165470	378.463	AMPUZJDFTNGAOY-RYUDHWBXSA-M	00000000100010000100000000000010000000000000000000000000	31-01-100547
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_2165472	378.463	AMPUZJDFTNGAOY-NEPJUHHUSA-M	00000000100010000100000000000010000000000000000000000000	31-01-100548
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)CC=Cc1ccc(cc1)F	MCULE-6667645684,PC-id_91940843	378.464	DLNARZRTPPGZHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100549
c1cc2-c(ccc(cc2)C#Cc2ccc(cc2)C#Cc2ccc3-c(ccc3)cc2)c1	PC-id_90798753	378.464	ROTNSENKAPAXAZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-100550
COc1ccc(CN(C)C(=O)CSc2nnc3n2CCCCC3)cc1F	CoCoCo_3892249,MCULE-5143003172,PC-id_17494058,EMOLS-id_16661146,ZINC22_12933092	378.464	XIPJQRKTJCFJCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100551
CS(=O)(=O)NCc1cc2CN(C/C=C/c3ccc(F)cc3)CCCn2n1	ZINC22_92076869,PC-id_72938279,EMOLS-id_46098153	378.464	DLNARZRTPPGZHY-DUXPYHPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100552
Fc1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)c(nc2)CN1CCCC1	PC-id_97405461	378.464	HBBCDBLJZGWGPU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-100553
Fc1cccc(c1)S(=O)(=O)N1CCCn2c(C1)c(nc2)CN1CCCC1	PC-id_97519419	378.464	HSNYFPUPQFTBLN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-100554
Fc1cccc(c1)S(=O)(=O)N1CC(CN2CCCC2)Cn2nccc2C1	EMOLS-id_50376069	378.464	SKNZJDVDJZZYBX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-100555
O=S(=O)(c1cccc(F)c1)N1Cc2ccnn2C[C@@H](CN2CCCC2)C1	ZINC22_247341879	378.464	SKNZJDVDJZZYBX-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-100556
O=S(=O)(c1cccc(F)c1)N1Cc2ccnn2C[C@H](CN2CCCC2)C1	ZINC22_247341889	378.464	SKNZJDVDJZZYBX-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-100557
O=S(=O)(c1ccc(F)cc1)N1Cc2ccnn2C[C@@H](CN2CCCC2)C1	ZINC22_247325215	378.464	NEKAVNPGOBXPTJ-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-100558
O=S(=O)(c1ccc(F)cc1)N1Cc2ccnn2C[C@H](CN2CCCC2)C1	ZINC22_247325231	378.464	NEKAVNPGOBXPTJ-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-100559
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCC(C)N1CCOCC1	PC-id_56903642,EMOLS-id_43140680,MCULE-2816230706	378.466	TYUOHNNOSXQCOH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100560
C1Cc2c(C=CC=C1)c(c[nH]2)CC(C(=O)O)NS(=O)(=O)c1cccs1	PC-id_91567649	378.466	QYINXWGSRIHBAP-UHFFFAOYSA-N	00000000100100000110000000000010000000000000000000000000	31-01-100561
C1=CCc2c(OC1)cnn2C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_102359696	378.466	JYRNAWPYYKKDDZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-100562
C[C@H](CCC(=O)N1CCCn2nc(CCC(=O)O)cc2C1)N1CCOCC1	PC-id_95880889,ZINC22_72447821	378.466	TYUOHNNOSXQCOH-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100563
C[C@@H](CCC(=O)N1CCCn2nc(CCC(=O)O)cc2C1)N1CCOCC1	ZINC22_72447820,PC-id_95880888	378.466	TYUOHNNOSXQCOH-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100564
NC(=O)c1ccsc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2	MCULE-1338890851,PC-id_4829035,CoCoCo_2861333,ZINC22_5361866,EMOLS-id_3480167	378.466	JWAZRUKBSJZVLC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-100565
O=C(CC1(CCOCC1)NC(=O)C1CCn2c(CC1)nnc2)OC(C)(C)C	EMOLS-id_316559206	378.466	NLOBMBIWZAHESU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100566
O=C(NNC(=O)c1cccs1)COC(=O)c1cc2c(s1)CCCCC2	MCULE-3336188766,CoCoCo_2861320,PC-id_8146954,EMOLS-id_3482250	378.466	OCMYOKWVXWUMAW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-100567
s1c2c(CCCCC2)c(c1NC(=O)c1sccc1)C(=O)NC(=O)OC	PC-id_7521872	378.466	BBHBKJYAXOMCQD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-100568
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cc2c(cccc2)o1	MCULE-5919307195,EMOLS-id_46030373,ZINC22_92081269,PC-id_72844932	378.467	OVPLASFDHJDANG-UHFFFAOYSA-N	00001000100000100101000001000010000000000000000000000000	31-01-100569
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc2c(cco2)c1	ZINC22_82109315,MCULE-3396198228,EMOLS-id_44435723,PC-id_70739527	378.467	WTKZGSIAIVJTBZ-UHFFFAOYSA-N	00001000100000100101000001000010000000000000000000000000	31-01-100570
c1(cc(no1)CCc1ccccc1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	MCULE-3823008165,CoCoCo_1438367,CoCoCo_1438368,EMOLS-id_20613497,ZINC22_12150974,PC-id_42431195	378.467	QZHUVCDEIUFAIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100571
c1(C(O)C2CC2)cc2n(CCCN(C(=O)c3ccc4c(c(C)c([nH]4)C)c3)C2)n1	MCULE-4559179017,PC-id_90647796,EMOLS-id_50527505	378.467	WOTJXAVJBSHBLM-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-100572
c1(NC(=O)c2c3CCCCCc3on2)c(C)nn(Cc2ccc(cc2)C)c1C	CHEMBL1581259,MCULE-6429201474,ChEMBL-DNDi_CHEMBL1581259,PC-id_3240542,EMOLS-id_6683840	378.467	BMWNRJRZMDCIDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100573
c1(NC(=O)c2c3CCCCCc3on2)c(C)nn(Cc2ccccc2C)c1C	MCULE-1204187543,EMOLS-id_15972092,PC-id_16002476	378.467	SRXGJIUIEFMOQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100574
Cc1noc(C)c1CNC(=O)c1ccc2CN(Cc3ccccc3)CCCn12	MCULE-6280975389,EMOLS-id_317417049	378.467	QKSCIKUEPBIFFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100575
CCC(C(=O)N1CCCn2nc(C)cc2C1)n1cc(C(=O)C)c2ccccc12	PC-id_50954285,EMOLS-id_32379836,MCULE-1440122549	378.467	TZBVMXISMIUGOU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-100576
CC[C@H](C(=O)N1CCCn2nc(C)cc2C1)n1cc(C(=O)C)c2ccccc12	PC-id_95122512,ZINC22_65382200	378.467	TZBVMXISMIUGOU-HXUWFJFHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-100577
CC[C@@H](C(=O)N1CCCn2nc(C)cc2C1)n1cc(C(=O)C)c2ccccc12	ZINC22_65382199,PC-id_95122511	378.467	TZBVMXISMIUGOU-FQEVSTJZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-100578
C[C@H](c1ccco1)N(C)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2	PC-id_95130362,ZINC22_65417480	378.467	HLXYIXIFBRNDSO-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100579
C[C@@H](c1ccco1)N(C)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2	ZINC22_65417478,PC-id_95130361	378.467	HLXYIXIFBRNDSO-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100580
CC(N(C)C(=O)c1cc2CN(Cc3ccccc3)CCCn2n1)c1ccco1	MCULE-5436975936,PC-id_50967640,EMOLS-id_32405074	378.467	HLXYIXIFBRNDSO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-100581
COC1C=Cc2c(C=C1)nc(n2C)C(c1nc2c(n1C)cc(cc2)OC)(C)C	PC-id_142117140	378.467	OGXOSGOKVSQVKJ-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-100582
COc1cccc(CN2Cc3ccnn3C[C@@H](COCc3cccnc3)C2)c1	ZINC22_2055713238	378.467	KIBZNITVNDRJKH-FQEVSTJZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-100583
COc1cccc(CN2Cc3ccnn3C[C@H](COCc3cccnc3)C2)c1	ZINC22_2055713239	378.467	KIBZNITVNDRJKH-HXUWFJFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-100584
COc1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1O	EMOLS-id_20650403,CoCoCo_1494427,CoCoCo_1494426,PC-id_28405474,MCULE-1185149113,ZINC22_19850552	378.467	RYIRHWNORFTXAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100585
COc1cccc(CN2CC(COCc3cccnc3)Cn3nccc3C2)c1	EMOLS-id_313723610	378.467	KIBZNITVNDRJKH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-100586
COc1ccc(CN2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)cc1	PC-id_97381905,ZINC22_96059252	378.467	KYJSQPZATWCHKU-IBGZPJMESA-N	00000000100000111101000000000010000000000000000000000000	31-01-100587
COc1ccc(CN2Cc3ccnn3C[C@H](COCc3ccccn3)C2)cc1	ZINC22_96059251,PC-id_97381904	378.467	KYJSQPZATWCHKU-LJQANCHMSA-N	00000000100000111101000000000010000000000000000000000000	31-01-100588
COc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c(O)c1	PC-id_28427945,CoCoCo_1501836,EMOLS-id_20655269,MCULE-2493882336,CoCoCo_1501835,ZINC22_19882871	378.467	UTRSIPYEKSQUKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100589
COc1ccc(CN2CC(COCc3ccccn3)Cn3nccc3C2)cc1	EMOLS-id_46148601	378.467	KYJSQPZATWCHKU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-100590
n1c(Cc2ccccc2)nn2CCN(Cc3ccc(cc3)OCCO)CCc12	EMOLS-id_337815349,MCULE-2428432831,ZINC22_2356150089	378.467	LFPPPGVYMGHHIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100591
o1c(CCC(=O)NCCc2n3CCCCCc3nn2)ccc1c1ccccc1	PC-id_51304480	378.467	KZOAFTWBTXYSEX-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-100592
O=C(c1ccc2c(c1)c(C)c([nH]2)C)N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O	PC-id_100017411	378.467	WOTJXAVJBSHBLM-NRFANRHFSA-N	00100000100000100101000001100010000000000000000000000000	31-01-100593
O=C(c1ccc2c(c1)c(C)c([nH]2)C)N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O	PC-id_100017415	378.467	WOTJXAVJBSHBLM-OAQYLSRUSA-N	00100000100000100101000001100010000000000000000000000000	31-01-100594
O=C(c1noc2c1CCCCC2)N1CCC(CC1)Cc1nc2c([nH]1)cccc2	EMOLS-id_102227519	378.467	VQVDKZJNTFYWBU-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-100595
Cc1oc(nc1CS(=O)(=O)c1nnc2n1CCCCC2)c1cccs1	EMOLS-id_189641020,MCULE-8068766284	378.469	WEWOELRFNJALBP-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-100596
O=C1c2ccccc2S(=O)(=O)N1CCSc1nnc2n1CCCCC2	PC-id_7876846,ZINC22_6097379,CoCoCo_3081612,EMOLS-id_3704676,MCULE-9203028446	378.469	UYYHOGQKYCPXPZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-100597
O=c1[nH]c2ccc(cc2s1)S(=O)(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_232877054,MCULE-7874603802,ZINC22_828413001	378.469	KGXQHCMWAJQPHP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100598
O=C(N1CCCN(CC1)CC(=O)N(C)C)Cn1nc2n(CCCCC2)c1=O	PC-id_55682863	378.469	FQBQBTVEUJESBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100599
O=C(Nc1ccncc1)c1nc2CCN(CCc2s1)S(=O)(=O)C1CC1	ZINC22_1259272768,EMOLS-id_313727190	378.469	MAZLIMAQYQYWDY-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-100600
O(C(=O)N1CCC(NC(=O)NCCc2n3CCCCCc3nn2)CC1)CC	PC-id_52220583	378.469	HFQGHXVCMNKUDL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100601
O=S(=O)(NCc1n[nH]c2c1CCCCC2)c1cc(c2ccno2)cs1	EMOLS-id_232864811,ZINC22_828392575,MCULE-9804656742	378.469	VBKRSDXDPKXIEV-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-100602
C1CCc2nnc(n2CC1)/C(=C(/CN1CCN(CC1)c1ccccc1)O)/C#N	PC-id_135553088	378.471	HOMSRNSNFYKLNQ-HNENSFHCSA-N	00000000100010110101100000000010000000000000000000000000	31-01-100603
COCC[C@H]1CN(S(=O)(=O)c2ccc(C)cc2OC)Cc2cccn2C1	ZINC22_585095460	378.486	ROPRIEYBOFVJGB-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100662
c1(c(C)c(nn1c1ccccc1)CC)NC(=O)N1CCCn2nc(C)cc2C1	MCULE-5423996265,EMOLS-id_68912591,PC-id_118781164,ZINC22_299784115	378.471	HUVNKQFLOZAXSV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100604
c1(c[nH]nc1c1ccccc1)CN(C)C(=O)CCc1cc2n(CCCNC2)n1	MCULE-5568559258,ZINC22_72407526,EMOLS-id_43077051,PC-id_70717015	378.471	MTSNKNJPSAZIAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100605
c1(C(=O)N2CCn3c(CC2)nnc3Cc2ccccc2)cc(nn1C)C(C)C	MCULE-6713385757,ZINC22_216203828,PC-id_77094141,EMOLS-id_49893499	378.471	HRAPWAKGBBOXSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100606
c1(C(=O)NCc2c3CCCCCc3[nH]n2)cn(nn1)CCCc1ccccc1	EMOLS-id_43080751,ZINC22_72134309,MCULE-3663248164,PC-id_56887866	378.471	WTLMSYVKMNBBAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100607
c1(C(=O)NCc2cnc3ccccn23)cn2c(CCN(C/C=C(C)/C)CC2)n1	MCULE-3426562510,EMOLS-id_336477872,ZINC22_1940194781	378.471	PMAZFDJEBPLBOX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100608
Cc1ccc(c(c1)n1ncc(c1C)NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101957423	378.471	ALEYDWKBPXZJDF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100609
Cc1cc(C)n(Cc2ccc(cc2)C(=O)NCc2nnc3CCCCCn23)n1	EMOLS-id_43143886,PC-id_49018587,ZINC22_61373842,MCULE-3480993905	378.471	RKPNTULHAIEPKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100610
Cc1cc(C)n(CCC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)n1	ZINC22_2356158279,MCULE-1248397806,EMOLS-id_337811799	378.471	XIEGJYGKLQNWLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100611
Cc1cc(C)n([C@@H](C)C(=O)N2CCc3nnc(Cc4ccccc4)n3CC2)n1	ZINC22_12029946	378.471	NVXYVLXAYASWRD-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100612
Cc1cc(C)n([C@H](C)C(=O)N2CCc3nnc(Cc4ccccc4)n3CC2)n1	ZINC22_12029950	378.471	NVXYVLXAYASWRD-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100613
Cc1ccn(c2ccccc2CNC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)n1	MCULE-7067584202,ZINC22_663187754,EMOLS-id_316878060	378.471	HBIPNIJZXLXLHP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100614
Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N1CCCc2c(cnn2C)C1	ZINC22_577268909	378.471	RSFMHRBQSQCSRW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100615
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCCc2c(cnn2C)C1	ZINC22_577268910	378.471	RSFMHRBQSQCSRW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100616
Cc1nccn1c1ccc(CNC(=O)CCc2cc3CNCCCn3n2)cc1	EMOLS-id_43072399,MCULE-1394462147,ZINC22_72432674,PC-id_70714474	378.471	DEBKLSJPDICJQI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100617
Cc1nn(c2ccccc2)c(C)c1CC(=O)NCc1cc2n(n1)CCCNC2	PC-id_70715947,EMOLS-id_44427431,ZINC22_82096454,MCULE-4939786707	378.471	DYPSRXWDKHPEEI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100618
Cc1nn(c2ccccc2)c(C)c1CC(=O)NCc1nnc2n1CCCCC2	CoCoCo_1172051,ZINC22_19836243,PC-id_28389462,MCULE-3640763453,EMOLS-id_23808012	378.471	BIHNXYRXHDNBPM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100619
Cc1nn(c(c1)C)Cc1ccc(cc1)C(=O)NCc1nn2c(c1)CNCCC2	PC-id_70713424,MCULE-2527237307,EMOLS-id_44426543	378.471	DUMSZIHEWXYMOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100620
CCc1nccn1CCC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356170943,EMOLS-id_337780380,MCULE-1783543305	378.471	TVSQGSFMPZCLFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100621
CCC(c1nnc2n1CCCCC2)NC(=O)Cc1ccc(cc1)n1ccnc1	EMOLS-id_319980050,MCULE-7550596563	378.471	XVGMIRXRIDQSTH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100622
CCCc1nn(c(c1)C(=O)N1CCc2n(CC1)c(nn2)Cc1ccccc1)C	ChEMBL-DNDi_CHEMBL60832182	378.471	TYJLQAWOEOESDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100623
CCC(C(=O)N1CCc2nc(CCc3ccccc3)nn2CC1)n1cccn1	MCULE-6096558828,EMOLS-id_337744122	378.471	UUNNJFFUZWJLQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100624
CC[C@H](C(=O)N1CCc2nc(CCc3ccccc3)nn2CC1)n1cccn1	ZINC22_2356135226	378.471	UUNNJFFUZWJLQU-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100625
CC[C@@H](C(=O)N1CCc2nc(CCc3ccccc3)nn2CC1)n1cccn1	ZINC22_2356135227	378.471	UUNNJFFUZWJLQU-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100626
CC(C(=O)N1CCc2nnc(Cc3ccccc3)n2CC1)n1nc(C)cc1C	MCULE-4646983084,PC-id_45166813,EMOLS-id_232747055	378.471	NVXYVLXAYASWRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100627
C[C@@H](O)c1cc2n(n1)CCCN(Cc1cnc(NCc3ccccc3)nc1)C2	PC-id_100034674,ZINC22_219172431	378.471	YYSOFDLCPQTIQH-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100628
C[C@H](O)c1cc2n(n1)CCCN(Cc1cnc(NCc3ccccc3)nc1)C2	PC-id_100034676,ZINC22_219172519	378.471	YYSOFDLCPQTIQH-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100629
CC(O)c1cc2CN(Cc3cnc(NCc4ccccc4)nc3)CCCn2n1	EMOLS-id_50530619,PC-id_90648649,MCULE-7705711412	378.471	YYSOFDLCPQTIQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100630
Cn1ncc(c1)CCC(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	PC-id_74230334,EMOLS-id_49639421,MCULE-6588250783	378.471	DZEIYNWPWMVCGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100631
Cn1ncc(c1)CNc1ccc(cc1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316544941	378.471	DYYCOLDNKPRWGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100632
CN(Cc1ccccc1n1cccn1)C(=O)CCc1cc2CNCCCn2n1	PC-id_70730209,EMOLS-id_43100685,ZINC22_72421755,MCULE-4200722302	378.471	FEUGQBQHJRHVPM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100633
CN(Cc1cnn(c1)c1ccccc1)C(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_177494734,PC-id_121511616,ZINC22_426683723,MCULE-9010196341	378.471	DIVHDSQFGNULTR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100634
n12CCCNCc1cc(CCC(=O)NCc1cnn(Cc3ccccc3)c1)n2	ZINC22_72427248,PC-id_70738661,EMOLS-id_43116161,MCULE-7161578939	378.471	BJIWPJNHUXTNDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100635
n12CCCNCc1cc(CCC(=O)NCc1nccn1Cc1ccccc1)n2	ZINC22_72423153,MCULE-1181682288,EMOLS-id_43066549,PC-id_70711181	378.471	AYNPRZNRGGDEPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100636
n12CCCNCc1cc(CCC(=O)NCCc1cnn(c3ccccc3)c1)n2	PC-id_70785190,ZINC22_72480694,MCULE-7823551394,EMOLS-id_43179077	378.471	WOITYOOYJOYWOS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100637
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(nc1)N1CCC(CC1)C	EMOLS-id_99579871	378.471	VFPRRYFQPOLLKL-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-100638
O=C(c1ccc2c(c1)cc[nH]2)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97413618	378.471	CFRHUHLTTDLNSU-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-100639
O=C(C1CCn2c(CC1)nnc2)NCc1c(C)nn(c1C)Cc1ccccc1	EMOLS-id_319484572	378.471	SPCQELNQRDHYTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100640
O=C(C1CCn2c(CC1)nnc2)NCCCc1cn(nc1C)c1ccccc1	MCULE-6593747011,EMOLS-id_320190118	378.471	OVGPBCOVJCOHEA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100641
O=C(CN1CCN(CC1)c1ccccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78639944	378.471	YDNRKONGPHFZLT-UHFFFAOYSA-N	00000011000010110111100000000010000000000000000000000000	31-01-100642
O=C(CN1CCN(CC1)c1ccccc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8240913	378.471	YDNRKONGPHFZLT-DYTRJAOYSA-N	00000011000010110111100000000010000000000000000000000000	31-01-100643
O=C(N1CCCc2c(C1)cnn2C)Nc1nn(cc1C)C(c1ccccc1)C	EMOLS-id_316208173,MCULE-2228378348	378.471	RSFMHRBQSQCSRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100644
O=C(NCc1n2CCCCCc2nn1)c1c(n(nc1)Cc1ccccc1)CC	PC-id_78872565	378.471	FMYSUACQVNPCLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100645
O=C(NC(c1n2CCN(CCc2nn1)Cc1[nH]c2c(c1)cccc2)C)C1CC1	PC-id_45165949	378.471	IIKJGCINMJDPLU-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-100646
O=C(NCCc1n2CCCCCc2nn1)c1c(n(c(c1)C)c1ncccc1)C	PC-id_55634928	378.471	KQNPEQXPJLAMLJ-UHFFFAOYSA-N	00000000110000101101100000000010000000000000000000000000	31-01-100647
O=C(NCCc1n2CCCCCc2nn1)c1c(n(nc1)c1ccccc1)CC	PC-id_55585827	378.471	NZRQTENMPPXBOF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100648
O=C(NCCc1n2CCCCCc2nn1)c1c(n(nc1C)c1ccccc1)C	PC-id_55535765	378.471	WTJXTBQFPRQPRD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100649
CS(=O)(=O)N1CCCn2nc(CNc3ncnc4sccc34)cc2C1	MCULE-9654829410,EMOLS-id_44451073,PC-id_70783670,ZINC22_82161281	378.472	DMPUAUXPFJZMEG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100650
c1cncc(Cc2nnc3n2CCN(Cc2cc4n(n2)CCCNC4)CC3)c1	PC-id_56897879,EMOLS-id_43121909,ZINC22_72158485,MCULE-1072334312	378.474	PJBQXKYMWZDAGW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100651
c1(NC(=O)CSc2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_5566322,MCULE-6708541607,PC-id_7546134,ZINC22_5192402,CoCoCo_5138925	378.484	KMKQHGIKWSZSLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100652
s1c2c(CCCCC2)c(c1NC(=O)CSc1c(F)cccc1)C(=O)N	PC-id_60388351	378.484	NMENVCBHMMSMBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100653
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(F)cc1)C(=O)OC	PC-id_20408752	378.484	JBHYBPYDPQFDIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100654
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(F)ccc1)C(=O)OC	PC-id_20408957	378.484	GOMGTEWRSBEWAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100655
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(F)cccc1)C(=O)OC	PC-id_20409091	378.484	ULKKGSZRCUVZSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100656
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCCCCC2)c1C(=O)N	MCULE-7638295062,EMOLS-id_4056102,TIMTEC500081,PC-id_4381517	378.486	VHMOGCXEKBECKN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100657
c1(NC(=O)CC2(CCCC2)CC(=O)O)sc2c(CCCCC2)c1C(=O)N	TIMTEC495458,CoCoCo_6831192,ZINC22_17077417,PC-id_17349275,MCULE-1056167989,EMOLS-id_4056086	378.486	VCJDVFXAKYKGCW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-100658
c1(NC(=O)C=CC(=O)O)sc2c(CCCCCCCCCC2)c1C(=O)N	MCULE-3452545987,PC-id_3598090	378.486	MJRYERHSCVVTDL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100659
COCCC1CN(Cc2cccn2C1)S(=O)(=O)c1ccc(C)cc1OC	EMOLS-id_313836584	378.486	ROPRIEYBOFVJGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100660
COCC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2OC)Cc2cccn2C1	ZINC22_585095459	378.486	ROPRIEYBOFVJGB-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100661
COC(=O)c1c(NC(=O)N2C3CCC2CC(C3)O)sc2c1CCCCC2	MCULE-4816390946,PC-id_102553597,EMOLS-id_50341979	378.486	DRLHQOIJNJFAOA-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100663
COC(=O)c1c(NC(=O)N2[C@H]3CC[C@H]2CC(O)C3)sc2c1CCCCC2	PC-id_99698027,ZINC22_153571131	378.486	DRLHQOIJNJFAOA-RYUDHWBXSA-N	00000010100010000100000000000110000000000000000000000000	31-01-100664
NC(=O)C1CCN(C(=O)COC(=O)c2cc3c(s2)CCCCCC3)CC1	PC-id_7618773,EMOLS-id_43708953,MCULE-6345471199,ZINC22_5302808	378.486	VYKHBXISXDURSZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100665
NC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCCCCCCC2	PC-id_5871241,EMOLS-id_26781786,ZINC22_4646409,SPECS-id_AK-968/15611376,CoCoCo_6785520,TIMTEC310136	378.486	MJRYERHSCVVTDL-VAWYXSNFSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100666
NC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_2763977,CoCoCo_895050,PC-id_40437981	378.486	VHMOGCXEKBECKN-RYUDHWBXSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100667
NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_2763978,PC-id_40437983,CoCoCo_895051	378.486	VHMOGCXEKBECKN-NEPJUHHUSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100668
NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_5725568,PC-id_40558883,CoCoCo_895048	378.486	VHMOGCXEKBECKN-VXGBXAGGSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100669
NC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_5725571,PC-id_40558885,CoCoCo_895049	378.486	VHMOGCXEKBECKN-NWDGAFQWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100670
OC(=O)C1CCCN(C1)C(=O)CN(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_120234517,MCULE-8204282905,EMOLS-id_53699481	378.486	FZRHLRDUJFFGML-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100671
OC(=O)C1CCN(CC1)C(=O)CN(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_119235962,EMOLS-id_52233455,MCULE-6155244953	378.486	GPWLHVLDQNMNFD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100672
OC(=O)/C=CC(=O)Nc1sc2c(c1C(=O)N)CCCCCCCCCC2	PC-id_92959204,CoCoCo_6785521	378.486	MJRYERHSCVVTDL-QXMHVHEDSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100673
s1c2CCCCCc2cc1C(=O)OC(C(=O)NC(=O)NC1CCCC1)C	PC-id_24496546	378.486	HRHJALZPGPXBGB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-100674
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NC1CCCCC1	PC-id_7351987	378.486	INEBQCLGFFRBNT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100675
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)NC(=O)NC1CCCC1)C	PC-id_8254897	378.486	HRHJALZPGPXBGB-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-100676
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)NC(=O)NC1CCCC1)C	PC-id_8254898	378.486	HRHJALZPGPXBGB-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-100677
s1c2c(CCCCC2)c(c1NC(=O)C1CN(C(C)C)C(=O)C1)C(=O)OC	PC-id_75889198	378.486	YQHUOGUHRXOSJR-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-100678
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1CN(C(C)C)C(=O)C1)C(=O)OC	PC-id_52638581	378.486	YQHUOGUHRXOSJR-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-100679
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1CN(C(C)C)C(=O)C1)C(=O)OC	PC-id_52638582	378.486	YQHUOGUHRXOSJR-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-100680
s1c2c(CCCCC2)c(c1NC(=O)CN1CCCCCC1=O)C(=O)OC	PC-id_71894303	378.486	XQLRVUBQTKIYQI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100681
OCC1CC(C)CC(O1)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)C)P	PC-id_144227110	392.47	XQKXAQXYQVGIGJ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-109697
s1c2CCCCCCc2cc1C(=O)OCC(=O)N(CC(=O)NC1CC1)C	PC-id_8294823	378.486	ZYDIMECYUOWBSH-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-100682
O=C(N1CCCCc2c1ccs2)Nc1ccc(c(c1)Cc1ccccc1)O	SCHEMBL4868207,PC-id_69222864	378.487	WSNGBJJXWPQZNO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100683
O=C(N1CCCCc2c1ccs2)Nc1ccc(cc1)OCc1ccccc1	SCHEMBL4869978,PC-id_69223506	378.487	IGEVIIIAGGYZRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100684
O=C(Nc1ccccc1)c1c(/N=C/c2ccco2)sc2c1CCCCCC2	ZINC22_408973080	378.487	YKNCVPBVPQYADD-HZHRSRAPSA-N	00000000101000110100000000000010000000000000000000000000	31-01-100685
s1c2CCCCCc2cc1C(=O)Nc1ccc(Cn2c(=O)cccc2)cc1	PC-id_55854610	378.487	CCERRUSGDHHQEX-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-100686
S=C1NC(=O)C(=C/C=C/c2cc(c3-c2c(C)ccc(c3)C(C)C)C)C(=O)N1	PC-id_100950027	378.487	ITEPURICLARGFZ-AATRIKPKSA-N	00000010100010000111000000000010000000000000000000000000	31-01-100687
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1cccc(OCC)c1	PC-id_70752472,EMOLS-id_44440287,MCULE-7210807250,ZINC22_82121493	378.489	ABOWHOBVVTYDMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100688
c1(C(=O)NC2CSCC2)cn2c(CCN(C(=O)C3CCOCC3)CC2)n1	EMOLS-id_331130371,MCULE-8032491115	378.489	MMFDPMIWTQVJAJ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-100689
c1(NC(=O)CCC(=O)N2CCN(CC2)C(=O)C)sc2c(CCCCC2)n1	MCULE-1652036248,EMOLS-id_334705622	378.489	PCBSGTWONCNSRC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100690
Cc1cc(CN2Cc3cccn3C[C@@H](CCNS(=O)(=O)C3CC3)C2)no1	ZINC22_585095313	378.489	OYNGIFBCGXIJSF-HNNXBMFYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-100691
Cc1cc(CN2Cc3cccn3C[C@H](CCNS(=O)(=O)C3CC3)C2)no1	ZINC22_585095314	378.489	OYNGIFBCGXIJSF-OAHLLOKOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-100692
Cc1cc(CN2CC(CCNS(=O)(=O)C3CC3)Cn3cccc3C2)no1	EMOLS-id_313836834	378.489	OYNGIFBCGXIJSF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-100693
Cc1ccc(S(=O)(=O)N2CCCn3nc([C@@H](O)CN(C)C)cc3C2)cc1	PC-id_100055038,ZINC22_220239558	378.489	IAERJWLNQCMOGZ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100694
Cc1ccc(S(=O)(=O)N2CCCn3nc([C@H](O)CN(C)C)cc3C2)cc1	ZINC22_220239616,PC-id_100055040	378.489	IAERJWLNQCMOGZ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100695
CC(c1n[nH]c2c1COCC(C2)C(c1n[nH]c2c1CS(=O)(=O)C2)(C)C)C	PC-id_139513729,SCHEMBL21385757	378.489	ZQUKOMNJKSOVLH-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-100696
CC(c1n[nH]c2c1CS(=O)(=O)C2)CC1COCc2c(C1)[nH]nc2C(C)C	PC-id_134224712,SCHEMBL19831872	378.489	ISZWARFSQPXMEH-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-100697
CC(Cc1ccc(cc1)S(=O)(=O)N(C1CCn2c(CC1)n[nH]c2=O)C)C	EMOLS-id_96058780,MCULE-7663541690	378.489	AZLQCCQFHXVXLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100698
CCCN1CCCn2nc(CNS(=O)(=O)c3cccc(OC)c3)cc2C1	ZINC22_82098201,PC-id_70722862,MCULE-3101794317,EMOLS-id_44429821	378.489	MBLLENHHQQYEKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100699
CCOc1ccc(c(c1)C)S(=O)(=O)N[C@@H](c1nnc2n1CCCCC2)C	PC-id_47090380,MCULE-2162909786,EMOLS-id_32152227	378.489	JKJWVHKOTHQWIW-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100700
CCS(=O)(=O)CCN1Cc2ccnn2C[C@H](OCc2cccc(C)n2)C1	ZINC22_247880963	378.489	RBDXJMALHCRSEA-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100701
CCS(=O)(=O)CCN1Cc2ccnn2C[C@@H](OCc2cccc(C)n2)C1	ZINC22_247880965	378.489	RBDXJMALHCRSEA-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100702
CCS(=O)(=O)CCN1CC(Cn2nccc2C1)OCc1cccc(C)n1	EMOLS-id_50008350	378.489	RBDXJMALHCRSEA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-100703
Cn1cnc(c1)S(=O)(=O)N1CC(CCOCC2CC2)Cn2cccc2C1	EMOLS-id_313839396	378.489	ARWNRPLAEHCMGJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-100704
Cn1cnc(S(=O)(=O)N2Cc3cccn3C[C@H](CCOCC3CC3)C2)c1	ZINC22_585095033	378.489	ARWNRPLAEHCMGJ-INIZCTEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-100705
Cn1cnc(S(=O)(=O)N2Cc3cccn3C[C@@H](CCOCC3CC3)C2)c1	ZINC22_585095034	378.489	ARWNRPLAEHCMGJ-MRXNPFEDSA-N	00100000100000000101000000000010000000000000000000000000	31-01-100706
CN(C)CC(O)c1cc2CN(CCCn2n1)S(=O)(=O)c1ccc(C)cc1	PC-id_91777229,EMOLS-id_55651768,MCULE-1317868601	378.489	IAERJWLNQCMOGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100707
COc1ccc(cc1)S(=O)(=O)N1CC(CCN(C)C)Cn2nccc2C1	EMOLS-id_50375965	378.489	ZJRPUEYAIDADRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100708
COc1cc(C)ccc1S(=O)(=O)N1Cc2ccnn2C[C@@H](CN(C)C)C1	ZINC22_248121841	378.489	NGBLFBPKTUYVST-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100709
COc1cc(C)ccc1S(=O)(=O)N1Cc2ccnn2C[C@H](CN(C)C)C1	ZINC22_248121846	378.489	NGBLFBPKTUYVST-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100710
COc1cc(C)ccc1S(=O)(=O)N1CC(CN(C)C)Cn2nccc2C1	EMOLS-id_50372937	378.489	NGBLFBPKTUYVST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100711
COc1cccc(CN2Cc3ccnn3C[C@@H](CCNS(=O)(=O)C)C2)c1	ZINC22_247878426	378.489	HYXXJDQJNXVDOH-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100712
COc1cccc(CN2Cc3ccnn3C[C@H](CCNS(=O)(=O)C)C2)c1	ZINC22_247878429	378.489	HYXXJDQJNXVDOH-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100713
COc1ccc(S(=O)(=O)N2Cc3ccnn3C[C@@H](CCN(C)C)C2)cc1	ZINC22_248156600	378.489	ZJRPUEYAIDADRD-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100714
COc1ccc(S(=O)(=O)N2Cc3ccnn3C[C@H](CCN(C)C)C2)cc1	ZINC22_248156605	378.489	ZJRPUEYAIDADRD-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100715
COCCn1nc2CCC(CC(=O)NCCc3cccs3)CCn2c1=O	MCULE-5841166150,EMOLS-id_207877367	378.489	CXDRASQOTYLJDG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-100716
O=C(N1CCN(CC1)C(=O)C1CCCO1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110341487	378.489	IKSKOVBVTIEJPB-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-100717
O=C(NC1CCN(C1=O)C1CCOCC1)Nc1nc2c(s1)CCCCC2	PC-id_102554896	378.489	NWZOJKFRNCCZSQ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-100718
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O1C(CN(CC1C)CCCNC(=O)NCCc1n2CCCCCc2nn1)C	PC-id_75822190	378.512	LZLWCJCCLFALMG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100803
O1CCN(C(C(C)C)CNC(=O)NCCc2n3CCCCCc3nn2)CC1	PC-id_75822186	378.512	SQDMDCRXICQMEQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100804
O1CCN([C@@H](C(C)C)CNC(=O)NCCc2n3CCCCCc3nn2)CC1	PC-id_52303565	378.512	SQDMDCRXICQMEQ-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100805
O1CCN([C@H](C(C)C)CNC(=O)NCCc2n3CCCCCc3nn2)CC1	PC-id_52303566	378.512	SQDMDCRXICQMEQ-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100806
O1[C@@H](CN(C[C@@H]1C)CCCNC(=O)NCCc1n2CCCCCc2nn1)C	PC-id_52303585	378.512	LZLWCJCCLFALMG-IYBDPMFKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100807
O1[C@H](CN(C[C@@H]1C)CCCNC(=O)NCCc1n2CCCCCc2nn1)C	PC-id_52303586	378.512	LZLWCJCCLFALMG-HOTGVXAUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100808
O1[C@@H](CN(C[C@H]1C)CCCNC(=O)NCCc1n2CCCCCc2nn1)C	PC-id_52303587	378.512	LZLWCJCCLFALMG-HZPDHXFCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100809
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(nn(c1)C)C)C(=O)OC	PC-id_20177302	378.512	BMCJNTFYXMMJPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100810
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1)C)C)C(=O)OC	PC-id_20177362	378.512	MVDQURPUVXITPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100811
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(cc1)C)C(=O)OCC	PC-id_20177264	378.512	UDNYGXGLRRYKOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100812
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(CC)cc1)C(=O)OC	PC-id_20177451	378.512	QZDUBRYAEXFKTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100813
s1c2c(CCCCC2)c(c1NC(=S)NCc1cn(nc1)C)C(=O)OC	PC-id_20177644	378.512	XOEJSZANPYZXON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100814
s1c2c(CCCCC2)c(c1NC(=S)NCc1[nH]ncc1)C(=O)OCC	PC-id_20172055	378.512	MGLGLWAIVMZNEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100815
s1c2c(CCCCC2)c(c1NC(=S)NCc1nn(cc1)C)C(=O)OC	PC-id_20174931	378.512	TZMQDFYIUSUTSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100816
s1c2c(CCCCC2)c(c1NC(=S)NCc1n(ncc1)C)C(=O)OC	PC-id_20174991	378.512	RUAWUHXHTKCKIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100817
s1c2CCCCCCc2c(c1NC(=O)CSC1NCCC(=O)N1)C#N	PC-id_78372950	378.512	OVNNEYQQDPZBKL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100818
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(cc1)C)C(=O)OC	PC-id_20177259	378.512	LVEZYNSCZDUFDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100819
s1c2c(CCCCCC2)c(c1NC(=S)NCc1[nH]ncc1)C(=O)OC	PC-id_20172050	378.512	BIPJEEQVZWLGEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100820
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCOC)C)CC2)ccc1C	PC-id_42425227	378.512	NVYPGOLTQYKQNJ-AWEZNQCLSA-O	00000000100100000101000000000010000000000000000000000000	31-01-100821
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)ccc1C	PC-id_42425228	378.512	NVYPGOLTQYKQNJ-CQSZACIVSA-O	00000000100100000101000000000010000000000000000000000000	31-01-100822
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)ccc1C	PC-id_74802254	378.512	NVYPGOLTQYKQNJ-UHFFFAOYSA-O	00000000100100000101000000000010000000000000000000000000	31-01-100823
c12CN(CCCn1nc(CN(C)Cc1[nH]c3c(cccc3C)n1)c2)CC=CC	MCULE-6499936086,PC-id_72075430	378.514	FOUFCRKGJOUXJU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100824
Cc1ccc(cc1)Cn1nc(c(c1C)CNCc1nnc2n1CCCCC2)C	CoCoCo_3989444,PC-id_45846446	378.514	MGBSJSMVPPDDES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100825
CCCCc1ncc(CN2CCc3nc(CCc4ccccc4)nn3CC2)[nH]1	EMOLS-id_337831712,ZINC22_2356147324,MCULE-5171085936	378.514	RFALZTRIVNXURJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100826
C/C=C/CN1CCCn2nc(CN(C)Cc3nc4cccc(C)c4[nH]3)cc2C1	EMOLS-id_44856476,ZINC22_72438458,PC-id_56901891	378.514	FOUFCRKGJOUXJU-SNAWJCMRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100827
CCn1nc(c(c1C)CN1CCn2c(CC1)nnc2CCc1ccccc1)C	ChEMBL-DNDi_CHEMBL56912716	378.514	QHEQMXWDRRPWOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100828
CN=C(N1CCC(=Cc2ccccc2)CC1)NCc1nnc2n1CCCCC2	PC-id_109414248	378.514	INCNOLSIAXMFIE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-100829
Cc1nsc(n1)N1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111482505	378.515	ZVZPXCNTPNLKLM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-100830
CC(C(=O)Nc1sc2c(n1)CCCCCC2)Sc1nnnn1C1CC1	EMOLS-id_98559736	378.515	FBEMCWKVFBOZTJ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-100831
c1(cc2c(CCCCC2)s1)C(=O)N1CCOCC(O)(CN2CCCC2)C1	MCULE-8861020440,EMOLS-id_43572147,PC-id_70733597	378.529	PSHWBQMYVDFLGQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100832
c1(NC(=O)CCN2CCCCC2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_719377,PC-id_1045318,SPECS-id_AF-399/40684428,TIMTEC21617,EMOLS-id_300070735,CoCoCo_890221,MCULE-1918486897	378.529	SZHIARXWUKVIIW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100833
c1(NC(=O)CN2CCCCCC2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_677864,PC-id_2055010,EMOLS-id_2366663,ZINC22_2475277,MCULE-1584422061	378.529	NTIAQUURGLKSBX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100834
CCN(C1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2)CC(=O)O	PC-id_120439364	378.529	QYHRBEWWBCQYMY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100835
CCOC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2c(s1)CCCNC2	ZINC22_2325860695	378.529	PXZSZWGNJRPZJM-INIZCTEOSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100836
CCOC(=O)[C@@H](CC1CCCCC1)NC(=O)c1cc2c(s1)CCCNC2	ZINC22_2325860696	378.529	PXZSZWGNJRPZJM-MRXNPFEDSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100837
O=C(c1cc2c(s1)CCCCC2)N1CCOC[C@@](O)(CN2CCCC2)C1	PC-id_96383230,ZINC22_77379456	378.529	PSHWBQMYVDFLGQ-HXUWFJFHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100838
O=C(c1cc2c(s1)CCCCC2)N1CCOC[C@](O)(CN2CCCC2)C1	ZINC22_77379454,PC-id_96383229	378.529	PSHWBQMYVDFLGQ-FQEVSTJZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100839
O=C(c1cc2c(s1)CCCCC2)NCC1(CCOCC1)N1CCOCC1	EMOLS-id_101520216	378.529	SXEBZMAIFVAINF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-100840
O=C(OC(C)(C)C)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2	SCHEMBL12057607,PC-id_57971094	378.529	NJVVDWJYPHDAJB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100841
OC(=O)CN(C1CCCN(CC1)C(=O)c1sc2c(c1)CCCCCC2)C	PC-id_120440407	378.529	DKCAOVMUXPOTCG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100842
s1c2c(CCCCC2)cc1C(=O)N1CCCN(CC1)C(=O)OCC(C)C	PC-id_56324894	378.529	HOQHNSUENHDRRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100843
s1c2c(CCCCC2)c(c1NC(=O)CN1C(CCCC1C)C)C(=O)OC	PC-id_22197887	378.529	GSFWKTREPJIOIW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100844
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(CC(C1)C)C)C(=O)OC	PC-id_22197998	378.529	LSCIESKNKIXVTR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100845
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(CCC1)C)C(=O)OCC	PC-id_17282510	378.529	JAPNCLNMQFYDIS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100846
s1c2c(CCCCC2)c(c1NC(=O)CN1C(CCCC1)C)C(=O)OCC	PC-id_17282532	378.529	NTFWCHHCXPIKHT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100847
s1c2c(CCCCC2)c(c1NC(=O)CN1CCC(CC1)C)C(=O)OCC	PC-id_22197710	378.529	SDLJKIOVGHQJFI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100848
s1c2c(CCCCC2)c(c1NC(=O)CN(C1CCCCC1)C)C(=O)OC	PC-id_22200483	378.529	RTTFPPBMUMQMFH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100849
s1c2c(CCCCC2)c(c1NC(=O)NC1CCCCC1)C(=O)OCCC	PC-id_3576757	378.529	TVKFLDCTCZJYQF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100850
s1c2c(CCCCC2)c(c1NC(=O)NC1CCCCC1)C(=O)OC(C)C	PC-id_4450067	378.529	PSCSHUGKVKYBOT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100851
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCC(CC1)C)C(=O)OC	PC-id_22197678	378.529	RVDOPCCDKCYFHL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100852
s1c2c(CCCCCC2)c(c1NC(=O)CN1CC(CCC1)C)C(=O)OC	PC-id_22197746	378.529	WACOHXFJIUPNGK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100853
s1c2c(CCCCCC2)c(c1NC(=O)CN1C(CCCC1)C)C(=O)OC	PC-id_22197821	378.529	QBUXNECBGLNVOM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100854
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCCCCC1)C(=O)OC	PC-id_22198074	378.529	NWBCGESZHNSQSN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100855
s1c2c(CCCCCC2)c(c1NC(=O)NC1CCCCC1)C(=O)OCC	PC-id_4052778	378.529	QJOPEKQTDMLMAY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-100856
s1c(C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)ccc1	PC-id_11794065	378.529	JIVRGWQJPPHYBX-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-100857
s1cc(C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)cc1	PC-id_10785930	378.529	QXVBORYHCQJGPJ-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-100858
s1c2CCCCCc2c(c1NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C#N	PC-id_4451652	378.53	NPOUAKUSNNXIBT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100859
s1c2CCCCCc2c(c1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C#N	PC-id_6113856	378.53	NPOUAKUSNNXIBT-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100860
s1c2CCCCCCc2c(c1NC(=O)C=Cc1ccc(C(C)C)cc1)C#N	PC-id_3502870	378.53	ZAMFZEPBDCMFRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100861
s1c2CCCCCCc2c(c1NC(=O)/C=C/c1ccc(C(C)C)cc1)C#N	PC-id_5845195	378.53	ZAMFZEPBDCMFRF-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100862
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)CC1=CC[C@@H]2C(C)(C)[C@H]1C2	ZINC22_82083776,PC-id_70705475,EMOLS-id_44423675,MCULE-1916329282	378.532	BYFXOUKOICHDJY-YJBOKZPZSA-N	00001000100011000101001000000010000000000000000000000000	31-01-100863
c1(NC(=O)CCC(=O)N2CCC(CC2)N(C)C)sc2c(CCCCC2)n1	EMOLS-id_334748112,MCULE-9977559035	378.532	MCLOSIWARMLVMV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100864
c1(NC(=O)CCC(=O)N2CCN(CC2)CCC)sc2c(CCCCC2)n1	MCULE-1204636464,EMOLS-id_334717394	378.532	MDJIJJIIMLTFFO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100865
c1(NC(=O)CCC(=O)N2CCN(CC2)C(C)C)sc2c(CCCCC2)n1	MCULE-6282141415,EMOLS-id_334731993	378.532	XTOKJTNVOQBOBX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100866
c1(NC(=O)CCC(=O)N(C)C2CCN(CC2)C)sc2c(CCCCC2)n1	EMOLS-id_334693860,MCULE-6378375474	378.532	AOAXHJHOKHLIRM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100867
CC1CC(CN1C(=O)Nc1sc2c(n1)CCCCCC2)N1CCOCC1	EMOLS-id_98981704	378.532	KIEMLELOPGCVQS-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-100868
CC1(C)[C@@H]2CC=C(CN3CCCn4nc(CNS(=O)(=O)C)cc4C3)[C@H]1C2	CHEMBL4522198	378.532	BYFXOUKOICHDJY-CRAIPNDOSA-N	00001000100011000101001000000010000000000000000000000000	31-01-100869
CCC(C[N@H+]1CCc2n(CC1)c(nn2)[C@H](NC(=O)C1CCOCC1)C)CC	PC-id_42482690,GD-id_ZINC12245369	378.532	WUKGHTMBSPYVLF-OAHLLOKOSA-O	00000000100010000101000000000010000000000000000000000000	31-01-100870
CC(C)N(C)CC(=O)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1	EMOLS-id_313792309,ZINC22_1565550416	378.532	CKMINLATPHWPCW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100871
CCCNC(=O)C1CCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101066515	378.532	RJUVMZHRZLVJBU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100872
CC(C(=O)NC1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_111889886	378.532	MBSRRTQPUFHVNR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100873
CN(C(=O)CC1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_111890472	378.532	YRGCVEXCKSFEBC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100874
COCC(=O)N[C@H](c1nnc2n1CC[N@@H+](CC2)CC1CCCCC1)C(C)C	GD-id_ZINC12218401	378.532	MROANSPKORGZFJ-IBGZPJMESA-O	00000000100010000101000000000010000000000000000000000000	31-01-100875
O1CCC(CC1)C(=O)NC(c1n2CC[NH+](CC(CC)CC)CCc2nn1)C	PC-id_74807377	378.532	WUKGHTMBSPYVLF-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-100876
O1CCC(CC1)C(=O)N[C@H](c1n2CC[NH+](CC(CC)CC)CCc2nn1)C	PC-id_42482692	378.532	WUKGHTMBSPYVLF-HNNXBMFYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-100877
O=C(N1CCCC1CN1CCOCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_303349507	378.532	VTUGYFMMUYJERT-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-100878
O=C(N1CCC[C@H]1CN1CCOCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99346258	378.532	VTUGYFMMUYJERT-HNNXBMFYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-100879
O=C(N1CCCN(CC1)C1CCOCC1)Nc1nc2c(s1)CCCCC2	PC-id_100904447	378.532	PZFMMEUMQFLCSL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-100880
O=C(N1CCN(CC1)CC1CCOC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101101100	378.532	UINJMSZZSQMLGX-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-100881
O=C(N1CCN(CC1)CC1CCOCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_111060082	378.532	PLTVJJHKEVQMDS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100882
O=C(N1CCN(CC1)C(=O)C(C)(C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103728	378.532	ARANJBIECUJAML-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100883
O=C(Nc1nc2c(s1)CCCCC2)NCC1(CCOCC1)N1CCCC1	EMOLS-id_98637978	378.532	PIHSUWLZLDHMMJ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-100884
s1c2CCCCCc2nc1NC(=O)CCCNC(=O)NC1CCCCC1	PC-id_16622903	378.532	VWLIAVBTAOJMEH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100885
S(=O)(=O)(NCc1nn2c(CN(CC3=CCC4C(C3C4)(C)C)CCC2)c1)C	PC-id_77897026	378.532	BYFXOUKOICHDJY-UHFFFAOYSA-N	00001000100011000101001000000010000000000000000000000000	31-01-100886
CCc1csc2c1NC=NCCCCCN(C2=C)Cc1ccccc1C#N	PC-id_135248167,SCHEMBL20408046	378.534	FDILGJIELMZTIX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-100887
CN(Cn1nc2n(c1=S)CCCCC2)C(c1ccccc1)c1ccccc1	CoCoCo_4599135,EMOLS-id_13534274,ZINC22_14198065,CoCoCo_4599136,MCULE-7822966315,PC-id_17468566	378.534	BIIPSSKCWJPNMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100888
CSc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1	MCULE-8551440194,PC-id_28392836,EMOLS-id_232711453,ZINC22_19839022	378.534	IGXIRDRWQLBUEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100889
Cc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1	ZINC22_7776706,PC-id_8890347,CoCoCo_4178075	378.535	VEGDBMOHGFBUIU-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-100890
Cc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1	ZINC22_7776707,PC-id_8890348,CoCoCo_4178076	378.535	VEGDBMOHGFBUIU-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100891
N#Cc1c(NC(=O)C(Sc2nnc(s2)C)C)sc2c1CCCCC2	MCULE-3554284981,PC-id_16333083,EMOLS-id_3685645	378.535	VEGDBMOHGFBUIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100892
s1c2CCCCCCc2c(c1NC(=O)CSc1sc(nn1)C)C#N	PC-id_3462325	378.535	NSHOABXMHXBRRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100893
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)C(=O)c1sccc1	PC-id_9331069	378.535	MHSIDOHNVXHMLE-UHFFFAOYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-100894
C[N@@H+]1CC[N@](CC1)[C@@H]1CCN(C[C@H]1O)C(=O)c1cc2c(s1)CCCCC2	GD-id_ZINC22919308,PC-id_30727702	378.552	XEOWKAWXNOMIRG-IAGOWNOFSA-O	00000000100010000101100000000010000000000000000000000000	31-01-100895
s1c2c(CCCCC2)c(c1NC(=S)NC(CC)(CC)C#C)C(=O)OC	PC-id_19711764	378.552	ADYDZKHONPWPOY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100896
s1c2c(CCCCC2)c(c1NC(=S)N(CC=C)CC=C)C(=O)OCC	PC-id_19653119	378.552	PANSOASMSQDBPL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100897
s1c2c(CCCCCC2)c(c1NC(=S)N(CC=C)CC=C)C(=O)OC	PC-id_19653113	378.552	IYFYDGMWORUXRG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100898
s1c(C(=O)N2CC[NH+](CC2)CC(=O)NCCCC)cc2c1CCCCC2	PC-id_40799651	378.552	LCNRWAOAJXILFI-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-100899
s1c(C(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C)cc2c1CCCCC2	PC-id_9451393	378.552	YPVLYPWONCGZFT-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-100900
s1c(C(=O)N2CC(O)C(N3CC[NH+](CC3)C)CC2)cc2c1CCCCC2	PC-id_74608050	378.552	XEOWKAWXNOMIRG-UHFFFAOYSA-O	00000000100010000101100000000010000000000000000000000000	31-01-100901
CCCC(CN=C(NCC)NCCCc1nnc2n1CCCCC2)CCO	PC-id_111712629	378.555	WCMKBHGGCNUDOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100902
CCCCOCCCNC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_111239455	378.555	YADRGBHRTPRXEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100903
CCN(CC)CCN(CC(C)C)C(=O)NCCc1nnc2n1CCCCC2	ZINC22_45384267,MCULE-9945201708,PC-id_52215997,EMOLS-id_44130534	378.555	UMDBUYUFGKRWMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100904
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCOCC(C)C	PC-id_111401291	378.555	NHKMCTMSIIPZJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100905
CCNC(=NCCCc1nnc2n1CCCCC2)NCCOCCC(C)C	PC-id_111970966	378.555	MTPBUEYQZJPBOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100906
CCNC(=NCC(CCC)(CCC)O)NCCc1nnc2n1CCCCC2	PC-id_109514815	378.555	SOKGTWJSRWMEJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100907
CCNC(=NCC(C(C)(C)C)OC)NCCCc1nnc2n1CCCCC2	PC-id_111710497	378.555	YUPURNKUVPEWPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100908
CCOC(C(C)C)CCN=C(NCCc1nnc2n1CCCCC2)NCC	PC-id_111717334	378.555	CUQJGVIQGXPUGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100909
CCOC(C(C)C)CCNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111718298	378.555	YPTAUBHYEYRODH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100910
Cc1nc(CN2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)cs1	PC-id_37300236,EMOLS-id_29597599,CoCoCo_4743051,ZINC22_30002956,MCULE-1319914967,CoCoCo_4743052	378.559	XLNWLSGPMZTLCY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100911
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCCCC)C(=O)N	PC-id_3568140	378.572	GIMJDBDAMREFMF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100912
s1c2c(CCCCCC2)c(c1NC(=O)CCCCCCCCC)C(=O)N	PC-id_5065539	378.572	LYCQQAVTHKUYAF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100913
CCCCN(CC1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112838643	378.575	ZZSPNIKYDVDLPA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100914
s1c2CCCCCCCCCCc2nc1NC(=O)CN1CCN(CC1)C	PC-id_30376724	378.575	GHDGDHHCICIRDC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100915
S(CC(=O)NC1CCC(C(CC)(C)C)CC1)c1n2CCCCCc2nn1	PC-id_8379673	378.575	ACZXGOBIQNHENX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100916
CCNC(=NCC1(C)CCCS1)NCCCc1nnc2n1CCCCC2	PC-id_109739217	378.578	TUHPJMMCFPUMCV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100917
CCNC(=NCCc1nnc2n1CCCCC2)N1CCSC(C1)C(C)C	PC-id_109564610	378.578	ZVQCXDXPPVBGLH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100918
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCSC(C1)CC	PC-id_109485330	378.578	HDEGLOYJHKJBQY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100919
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCSC(C1)(C)C	PC-id_109488093	378.578	GRKIYTGVXHIJDJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100920
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCC(C1)SC	PC-id_111530517	378.578	UQNZILBHVBTACY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100921
CCSC1CCC(C1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112083659	378.578	OGFFJIGETFRAIS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-100922
CN=C(N1CCSC(C1)C(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109565024	378.578	ROPBULUHSNZPLE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100923
CSC1CCCC(C1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112082193	378.578	YBMZJFKNYNEJLU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-100924
O=C(N1CCCc2c(C1)ccs2)Nc1c(Cl)n(nc1C(F)(F)F)C	EMOLS-id_278155819	378.8	AYZVLKONGVNCIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100925
COc1ccc(cc1Cl)C(C(=O)O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_72635045,MCULE-5085437254,PC-id_121963069	378.807	GMNDZYCARPYVCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100926
c12C(=O)NCC(O)Cn1nc(C(=O)NCCOc1c(C)cccc1Cl)c2	MCULE-8105884339,PC-id_119063752,EMOLS-id_82713777	378.81	XKEYOOBMYPNLAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100927
Cc1cccc(Cl)c1OCCNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426473729	378.81	XKEYOOBMYPNLAX-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100928
Cc1cccc(Cl)c1OCCNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426473738	378.81	XKEYOOBMYPNLAX-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-100929
Fc1ccc(c(c1)Cl)C1OCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100162932	378.825	LKDXBWLYKVKGEX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-100930
O=C(c1noc2c1CCCCC2)N1CCOC(C1)c1ccc(c(c1)Cl)F	EMOLS-id_100105713	378.825	FJOHRKCWWDQGCS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-100931
Fc1ccc(c(c1)Cl)C1OCCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319607227	378.828	KHNPSWIWXPIDNL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-100932
Clc1c(OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc(F)c1	PC-id_35720932	378.848	QUBUBOKCTUHJIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100933
Clc1c(sc2c1ccc(F)c2)C(=O)NCc1n2CCCCCc2nn1	PC-id_51266242	378.852	LVBORBQQZSZTMW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-100934
CC(O)c1cc2CN(Cc3cc(Cl)ccc3OCC(=O)N)CCCn2n1	PC-id_91788762,EMOLS-id_55685143,MCULE-4205324851	378.853	GXZQTLMFLZDBEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100935
CCOc1c(Cl)cc(cc1OC)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320052732,MCULE-7026602628	378.853	GSMQWZHDUHQMBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100936
Clc1cc(C(=O)NCCc2n3CCCCCc3nn2)cc(OC)c1OC	PC-id_55536189	378.853	XJTCUQZWMOFODO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100937
COc1cc(NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc(Cl)c1OC	MCULE-9912067014,EMOLS-id_316877548,ZINC22_663187349	378.853	QXQKSYHUEDNMTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100938
COCc1nnc2CCC(CCn12)NC(=O)COc1ccc(Cl)cc1C	PC-id_91922599,EMOLS-id_50590337,MCULE-8779494140	378.853	CMZNALCOKLAUAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100939
COCC(Oc1ccc(cc1NC(=O)C1CCn2c(CC1)nnc2)Cl)C	EMOLS-id_320201373,MCULE-2959137060	378.853	GRRWQJGXXZDZPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100940
NC(=O)COc1ccc(cc1CN1CCCn2c(C1)cc(n2)[C@H](O)C)Cl	PC-id_99986910	378.853	GXZQTLMFLZDBEF-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100941
NC(=O)COc1ccc(cc1CN1CCCn2c(C1)cc(n2)[C@@H](O)C)Cl	PC-id_99986915	378.853	GXZQTLMFLZDBEF-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100942
C1CC(C1)C(c1nn2CCCN(Cc2c1)C(=O)CCc1nc(n[nH]1)Cl)O	MCULE-9461407782,PC-id_91773864,EMOLS-id_55641982	378.857	RSHPMZAQQDJXLQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-100943
O=C(N1CCCn2c(C1)cc(n2)[C@H](C1CCC1)O)CCc1[nH]nc(n1)Cl	PC-id_100048614	378.857	RSHPMZAQQDJXLQ-INIZCTEOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-100944
O=C(N1CCCn2c(C1)cc(n2)[C@@H](C1CCC1)O)CCc1[nH]nc(n1)Cl	PC-id_100048617	378.857	RSHPMZAQQDJXLQ-MRXNPFEDSA-N	00001000100000000101000000000010000000000000000000000000	31-01-100945
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)c1ccccc1	CoCoCo_3456394,PC-id_5893771	378.858	ZDSQWUBIHPIBQV-NTCAYCPXSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100946
Clc1n(nc(c1C=C(c1n2CCCCCc2nn1)C#N)C)c1ccccc1	MCULE-4447904486,PC-id_3681631	378.858	ZDSQWUBIHPIBQV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100947
N#C/C(=C/c1c(C)nn(c1Cl)c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3456395	378.858	ZDSQWUBIHPIBQV-QINSGFPZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-100948
Clc1cccc(c1F)Nc1ncc2n1CCCN(C2)CC1CCOCC1	PC-id_118173656,SCHEMBL16835305	378.871	IPPIREGZNPDRMX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-100949
c1(NC(=O)C2CC(=CCC2C(=O)O)Cl)sc2c(CCCCC2)c1C#N	BAS-04055103,CHEMBL1572038,PC-id_2921960,MCULE-9702733005,BindingDB_PC-id_2921960,ChEMBL-DNDi_CHEMBL1572038,BindingDB-id_113330,EMOLS-id_1444567	378.873	CEHZPXULSNRIGE-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-100950
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCCCC2)c1C(=O)N	TIMTEC581144,ZINC22_669003,PC-id_1009161,ChEMBL-DNDi_CHEMBL7270933,EMOLS-id_1776412,CoCoCo_904048,SCHEMBL4138685,MCULE-9774630518	378.873	YUAGIYIHYYWQHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100951
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)N	CoCoCo_3250495,PC-id_4465057,MCULE-9069237757,EMOLS-id_1094812,ZINC22_4019028,SPECS-id_AK-968/12163342	378.873	VERYVWIEMOJHBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100952
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)OC	ZINC22_689027,PC-id_1022977,TIMTEC210973,MCULE-8664373363,CoCoCo_903754,EMOLS-id_2444263,SPECS-id_AK-968/40728868	378.873	IDICQQZGCDLESU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100953
c1(NC(=O)Nc2ccc(Cl)cc2)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_897636,SPECS-id_AK-968/41926276,ZINC22_656857,TIMTEC497351,PC-id_1001244,EMOLS-id_2441013,MCULE-2918055062	378.873	VEMCUVHRAIGNCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100954
C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1cccnc1Cl	PC-id_8254713,ZINC22_7132561,CoCoCo_4173784	378.873	BAFJNAAMHQGRAB-NSHDSACASA-N	00000000100000101100000000000010000000000000000000000000	31-01-100955
C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1cccnc1Cl	PC-id_8254715,CoCoCo_4173785,ZINC22_7132564	378.873	BAFJNAAMHQGRAB-LLVKDONJSA-N	00000000100000101100000000000010000000000000000000000000	31-01-100956
Clc1cccc(c1)C(=O)/N=c/1sc2c(n1C(C(=O)O)C)CCCCC2	PC-id_71537301,SCHEMBL14808225	378.873	WDTJDDMFSJIASK-ZZEZOPTASA-N	00000000100000110101000000000010000000000000000000000000	31-01-100957
Clc1ccc(NC(=O)c2c3CCCCCc3sc2NC(=O)CO)cc1	PC-id_11675288,SCHEMBL4132150	378.873	AZBFYDUDBSWZFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100958
Clc1ccc(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)C)nc1	PC-id_16509440	378.873	YHIIIHWYLWLUCR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-100959
ClC1=CC(=CNNC(=O)c2sc3CCCCCc3c2)C=C(OC)C1=O	PC-id_8159508	378.873	RVLFTRYQLJWJLC-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-100960
Clc1ccc(OCC(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_26778437	378.873	BSMRFZQOVNTJLJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100961
Clc1cc(OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)ccc1	PC-id_60388214	378.873	FISNMILORHRMJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100962
Clc1cc(OCC(=O)NNC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_9301042	378.873	DGVZLCZBXXVEQU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100963
Clc1c(OCC(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_7601124	378.873	UECCFSUHKIYMOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100964
Clc1ncccc1C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_5109702	378.873	BOZGQEPCBQZEKP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-100965
Clc1ncccc1C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_4615037	378.873	YWGNBMJYEOMBAN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-100966
Clc1ncccc1NC(=O)C(OC(=O)c1sc2CCCCCc2c1)C	EMOLS-id_19698112,MCULE-7021475744,PC-id_24496539	378.873	BAFJNAAMHQGRAB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-100967
COc1c(c(cc(c1)/C=N/NC(=O)c1cc2c(s1)CCCCC2)Cl)O	PC-id_135731439	378.873	OLENHJJPFIWUML-KEBDBYFISA-N	00000000100000110100000000000010000000000000000000000000	31-01-100968
COc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1Cl	PC-id_21234844,ZINC22_32125214	378.873	WJJDGDWXIYFXQL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100969
N#Cc1c(NC(=O)[C@H]2CC(=CC[C@@H]2C(=O)O)Cl)sc2c1CCCCC2	CoCoCo_312724,ZINC22_779455,PC-id_1071976	378.873	CEHZPXULSNRIGE-STQMWFEESA-N	00000000100011000100000000000010000000000000000000000000	31-01-100970
N#Cc1c(NC(=O)[C@@H]2CC(=CC[C@@H]2C(=O)O)Cl)sc2c1CCCCC2	CoCoCo_312726,ZINC22_4229229,PC-id_6963065	378.873	CEHZPXULSNRIGE-QWHCGFSZSA-N	00000000100011000100000000000010000000000000000000000000	31-01-100971
N#Cc1c(NC(=O)[C@H]2CC(=CC[C@H]2C(=O)O)Cl)sc2c1CCCCC2	ZINC22_779453,PC-id_1071974,CoCoCo_312723	378.873	CEHZPXULSNRIGE-OLZOCXBDSA-N	00000000100011000100000000000010000000000000000000000000	31-01-100972
N#Cc1c(NC(=O)[C@@H]2CC(=CC[C@H]2C(=O)O)Cl)sc2c1CCCCC2	ZINC22_779454,CoCoCo_312725,PC-id_1071975	378.873	CEHZPXULSNRIGE-CHWSQXEVSA-N	00000000100011000100000000000010000000000000000000000000	31-01-100973
NC(=O)c1c2c(CCCCC2)sc1NC(=O)COc1c(Cl)cccc1	SPECS-id_AK-968/15605188,CoCoCo_3250501,MCULE-6514951604,PC-id_4277561,ZINC22_2761764,EMOLS-id_1776546	378.873	LISXULOOSUONNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100974
O=C(COC(=O)c1cc2c(s1)CCCCCC2)Nc1cccnc1Cl	EMOLS-id_43708935,ZINC22_5302089,CoCoCo_2876698,PC-id_7618173,MCULE-4467652643	378.873	UUNDGOWXPSJDMN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-100975
Clc1sc(S(=O)(=O)N2CCCCc3sccc23)cc1[N+](=O)[O-]	SCHEMBL4116225,PC-id_23119981	378.875	JKNXQEVRKFSPFR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-100976
CN=C(N(Cc1c(F)cccc1Cl)C)NCc1nnc2n1CCCCC2	PC-id_119131662	378.875	XTYZIUQLSOHQDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100977
Clc1cccc(c1)NC(=O)N1CCc2c(CC1)nc(s2)C(=O)N(C)C	PC-id_97442551	378.876	NACQXGXZPSQKPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100978
O=C(c1nc(N2CCOCC2)ncc1Cl)N1CCCc2sccc2C1	ZINC22_2325699977	378.876	NJOGEOLHVMYBDB-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-100979
Brc1c2-c(c(Br)c1)ccccc2CBr	PC-id_13199309	378.885	LSYRBZCPEHRQTP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-100980
OCc1sc2c(c1)C(=N)/C(=CC(=O)Nc1ccc(cc1)Cl)/CCS2	PC-id_141848708	378.896	YESGCEMBGJWWMJ-JAZQIEQKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-100981
Cl/C(=Cc1ccccc1)/CN1CCc2nnc(Cc3ccccc3)n2CC1	CoCoCo_1469940,EMOLS-id_44853691,CoCoCo_1469942,ZINC22_14975075	378.898	BRDXIJOHKGCNJS-HKWRFOASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100982
Cl/C(=C/c1ccccc1)/CN1CCn2c(CC1)nnc2Cc1ccccc1	CoCoCo_1469939,CoCoCo_1469941	378.898	BRDXIJOHKGCNJS-HMMYKYKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100983
n12CCN(CCc1nnc2Cc1ccccc1)CC(=Cc1ccccc1)Cl	PC-id_26331344,MCULE-6266181095	378.898	BRDXIJOHKGCNJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100984
Clc1nc2sccn2c1C=NNC(=O)c1sc2CCCCCc2c1	PC-id_78620798	378.899	ZWDRCHYBYCBJOC-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-100985
Cc1nn(CC(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)cc1Cl	EMOLS-id_44434677,ZINC22_82108530,MCULE-7214006556,PC-id_70736557	378.9	BSEOTVRZDBWIDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-100986
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(Cl)s1	PC-id_70718113,MCULE-5317808056,ZINC22_82096961,EMOLS-id_44428165	378.919	AFMLSWPCCUMMEG-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-100987
c1(C(=O)NCCCSCc2ccc(cc2)Cl)nnc2CCCCCn12	MCULE-3240549109,EMOLS-id_222787058,ZINC22_670468415	378.919	LEGQYSIWJXUKFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100988
Clc1ccc(cc1)SC(C(=O)NCCc1nnc2n1CCCCC2)C	PC-id_86915159	378.919	OVBYSTYSZQCRPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100989
Clc1ccc(SCCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51304495	378.919	IZTHJMWBSNTHMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100990
Clc1ccc(SCCNC(=O)CCc2cc3CNCCCn3n2)cc1	EMOLS-id_43095447,MCULE-2510524783,ZINC22_72419944,PC-id_70727267	378.919	VKVPVHKILVMTLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100991
Clc1c(SCCC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_60389508	378.919	CNQOGDHVHSDLNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100992
Clc1c(SC(C(=O)NCCc2n3CCCCCc3nn2)C)cccc1	PC-id_60496299	378.919	KKSKLODZEGHIKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100993
Clc1c(S[C@H](C(=O)NCCc2n3CCCCCc3nn2)C)cccc1	PC-id_52337890	378.919	KKSKLODZEGHIKB-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100994
Clc1c(S[C@@H](C(=O)NCCc2n3CCCCCc3nn2)C)cccc1	PC-id_52337891	378.919	KKSKLODZEGHIKB-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100995
Clc1cccc(c1)N1CC[NH+](CC1)Cn1nc2n(c1=S)CCCCC2	PC-id_8145785,GD-id_ZINC06998708	378.943	SDKXTWLAVRHZQU-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-100996
Clc1ccc(s1)C1CCN(CC1)CCCc1nnc2n1CCCCC2	PC-id_59939411,SCHEMBL7964120	378.962	RXWAEYVDBHTOGT-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-100997
Brc1c2C(C(=O)CNC(=O)c2[nH]c1Br)[CH]OCC	PC-id_59563530	379.025	VNHMEHRPYVGWHD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-100998
Cc1nn2CC[C@H](C(=O)Nc2c1)CNC(=O)c1nn(cn1)Cc1ccccc1	PC-id_163762128	379.176	LZBNAWRBOVEBHZ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-100999
O=C(Nc1ccc(F)cc1)N(Cc1nnc2n1CCCCC2)c1ccccc1	ZINC22_3253357,PD112909,CoCoCo_3777665,MCULE-4419260307,PC-id_2370198,EMOLS-id_3051407	379.18	DGJRKKJINAYTCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101000
O=C(O)c1cc(Br)cc(CCn2cnc3c2NC=NCC3O)c1	PC-id_10385026,CHEMBL289788,BindingDB_PC-id_10385026	379.209	GVJDHCRNNQRHQD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-101001
CCOC(=O)c1c[nH]c2c1C(=CCCC2)OSI	PC-id_142114815	379.214	GWINQAAKHJDWSJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-101002
C1CCc2nnc(n2CC1)/C(=C(/COc1c(ccc(c1)Cl)Cl)O)/C#N	PC-id_135725401	379.241	BINMFMGWANVOPJ-OWBHPGMISA-N	00000000100000110101000000000010000000000000000000000000	31-01-101003
C1CCCSC2=NC=NN2CCCCNC(=O)NCCCC/C=CCC1	PC-id_146739728	379.241	RKHHKKGKWMQPBF-IWQZZHSRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-101004
Clc1c(OCC(=O)C(=C2N3CCCCCC3=NN2)C#N)cc(Cl)cc1	PC-id_78642847	379.241	YKQUYJBANVLRRZ-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-101005
Clc1c(OCC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)cc(Cl)cc1	PC-id_8250872	379.241	YKQUYJBANVLRRZ-SFQUDFHCSA-N	00000011000000110111000000000010000000000000000000000000	31-01-101006
Clc1cc2-c(n1)c(cccc2)N=CC=Nc1ccccc2-c1nc(c2)Cl	PC-id_102076176	379.242	URVZZUHTXIHGFE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-101007
BrC1CC(OC)Cc2nn(cc2C1=O)Cc1ccc(OC)cc1	SCHEMBL365650,PC-id_66667261	379.248	NTRGDRITUSFOQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101008
BrC1COC(c2nn(cc2C1=O)Cc1ccc(OC)cc1)(C)C	PC-id_66666917,SCHEMBL364983	379.248	MZUVYSIPGLBWQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101009
COc1cc(Br)cc(c1NC(=O)N1CCCc2c(C1)cco2)C	EMOLS-id_99321820	379.248	BAPKMGUKWIVGIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101010
COc1cc(C)c(cc1NC(=O)N1CCCc2c(C1)cco2)Br	EMOLS-id_99353974	379.248	GNMKQEBEGJMSEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101011
Brc1cccc(c1)[C@@H](CNC(=O)C1CCn2c(CC1)nnc2)O	EMOLS-id_318972277	379.252	DHEUEBYOALFABM-SBXXRYSUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101012
Brc1ccccc1CNC(=O)Cn1nc2CCCCCn2c1=O	EMOLS-id_48461785,MCULE-3356551634,PC-id_75526897,ZINC22_98211237,SPECS-id_AT-687/NB01963	379.252	QERSTRJEBXCIAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101013
Brc1cc(CNCc2nnc3n2CCCCC3)cc2c1OCO2	MCULE-3522543998,PC-id_71902217,ZINC22_60833093,EMOLS-id_44516468	379.252	PZODMFDIDGOWMG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101014
Brc1ccc(OCC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266251	379.252	ODMBGQUKFINXRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101015
Brc1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1OC	PC-id_51266353	379.252	ZQGFASUCKXPIKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101016
Brc1c(C(=O)NCc2n3CCCCCc3nn2)cc(OC)cc1	PC-id_51266280	379.252	OEPSOSABYPOECH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101017
Cc1cc(Br)c(c(c1)C(=O)NCc1nnc2n1CCCCC2)O	PC-id_87040480	379.252	CUCBPZKWSBDUPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101018
Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)c(Br)c1	ZINC22_12886327,PC-id_25577364,CoCoCo_4406396,EMOLS-id_18888987,MCULE-9620001230	379.252	PQYJSTGELMBUSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101019
Cc1cc(NC(=O)Cn2nc3n(c2=O)CCCCC3)ccc1Br	MCULE-7930358355,CoCoCo_4406372,ZINC22_12916040,PC-id_25601521,EMOLS-id_18898014	379.252	VTKYYNZPJQQZOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101020
COc1ccc(cc1Br)CNC(=O)C1CCn2c(CC1)nnc2	MCULE-6038777191,EMOLS-id_319943081	379.252	RDPLZHPPHGKDTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101021
COc1cc(cc(c1)Br)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101947800	379.252	AZDIPGFCHMOWLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101022
COc1ccc(cc1Br)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101952171	379.252	AYXVZFIDKUTLBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101023
COc1cc(ccc1Br)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101965728	379.252	BCQNOSHEVKREET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101024
COc1ccc(cc1CNC(=O)C1CCn2c(CC1)nnc2)Br	MCULE-4073304717,EMOLS-id_319826127	379.252	QIPPAVSPLLVBLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101025
COc1nc(C)c(cc1C(=O)N1CCCc2c(C1)cnn2C)Br	EMOLS-id_101676515	379.252	PIQQDKQEXAMPPS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101026
NC(=O)[C@H](c1cccc(Br)c1)N1Cc2ccnn2C[C@H](CO)C1	ZINC22_2325804081	379.252	UNZUVYPBOBUYQN-ABAIWWIYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101027
NC(=O)[C@@H](c1cccc(Br)c1)N1Cc2ccnn2C[C@H](CO)C1	ZINC22_2325804082	379.252	UNZUVYPBOBUYQN-IAQYHMDHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101028
NC(=O)[C@H](c1cccc(Br)c1)N1Cc2ccnn2C[C@@H](CO)C1	ZINC22_2325804083	379.252	UNZUVYPBOBUYQN-NHYWBVRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101029
NC(=O)[C@@H](c1cccc(Br)c1)N1Cc2ccnn2C[C@@H](CO)C1	ZINC22_2325804084	379.252	UNZUVYPBOBUYQN-XHDPSFHLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101030
O=C(c1cc(Br)c(n(c1=O)C)C)N1CCCc2c(C1)cnn2C	EMOLS-id_101676572	379.252	JYMARAIQCBMIBK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101031
O=C(NCCc1nnc2n1CCCCC2)c1cc(Br)ccc1O	MCULE-5633568999,PC-id_24249884,EMOLS-id_17219465,ZINC22_24924564,CoCoCo_4663520	379.252	CTTPZNUOLBLFNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101032
O=C(Nc1c(C)cc(cc1Br)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102006885	379.255	WISZMELAUUNMJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101033
O=C(Nc1cc(C)c(c(c1)C)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102001764	379.255	BJMSECZGUPSXPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101034
O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCn2c(C1)nnn2	PC-id_143775165	379.26	BDOZHOKSLDDWOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101035
Brc1ccc(o1)C(=O)Nc1sc2CCCCCCc2c1C#N	MCULE-6160804500,ZINC22_2738331,PC-id_4202020,CoCoCo_6708893,TIMTEC68983,SPECS-id_AK-968/12096017,EMOLS-id_2756663	379.271	BATWUJPVIFTMJY-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-101036
c1(C#N)c2CCCCCc2sc1NC(=O)c1c(Br)cnn1C	EMOLS-id_4056645,ZINC22_2779098,PC-id_19575666,MCULE-4975829788	379.275	YFNHNMVJFNPWSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101037
c1(NC(=O)c2nn(cc2Br)C)sc2c(CCCCC2)c1C#N	MCULE-8278667561,ZINC22_2779163,PC-id_17020659,EMOLS-id_4056649,CoCoCo_6579556	379.275	YDOPJAQLGFPZAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101038
C[C@H]1C=Cc2c(SN1)cn(c2C(=O)Nc1ccnc(c1)Br)C	PC-id_139471090,SCHEMBL21337085	379.275	DBAAKRGDXIDQAI-VIFPVBQESA-N	00000000100000101111000000000010000000000000000000000000	31-01-101039
CCC(C)(C)OC(=O)COC1CCCCCC2=C1N=NN2C(C)(CC)CC	PC-id_155117198	379.283	FMJPAGNMSADLOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101040
C[C@@H](NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)c1nnc2n1CCCCC2	ZINC22_12798949,PC-id_25520838,CoCoCo_4691951	379.284	PORRPOKGVJVIIZ-NNNHXZLVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101041
C[C@H](NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)c1nnc2n1CCCCC2	ZINC22_12798956,PC-id_25520843,CoCoCo_4691953	379.284	PORRPOKGVJVIIZ-SYTKJHMZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101042
Clc1cc(C=CC(=O)NC(c2n3CCCCCc3nn2)C)cc(Cl)c1	EMOLS-id_44068295,MCULE-4371315187,PC-id_72028778	379.284	PORRPOKGVJVIIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101043
Clc1cc(/C=C/C(=O)NC(c2n3CCCCCc3nn2)C)cc(Cl)c1	PC-id_42945142	379.284	PORRPOKGVJVIIZ-VOTSOKGWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101044
Clc1cc(C=CC(=O)N(Cc2n3CCCCCc3nn2)C)cc(Cl)c1	PC-id_72052820,MCULE-1118945266,EMOLS-id_35701036	379.284	BZBBSQLEHKBPEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101045
Clc1cc(/C=CC(=O)N(Cc2nnc3n2CCCCC3)C)cc(c1)Cl	PC-id_97449992	379.284	BZBBSQLEHKBPEU-SREVYHEPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101046
Clc1c(C=CC(=O)NCCc2n3CCCCCc3nn2)cc(Cl)cc1	PC-id_55553549	379.284	JBJCGDKNCHHKQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101047
CN(Cc1nnc2n1CCCCC2)C(=O)/C=C/c1cc(Cl)cc(Cl)c1	PC-id_53514052,ZINC22_65552637	379.284	BZBBSQLEHKBPEU-VOTSOKGWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101048
O=C(/C=C/c1cc(Cl)ccc1Cl)NCCc1nnc2n1CCCCC2	PC-id_93984056	379.284	JBJCGDKNCHHKQC-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101049
O=C(N(C1CC1)Cc1ccc(c(c1)Cl)Cl)C1CCn2c(CC1)nnc2	EMOLS-id_320063145,MCULE-4194064020	379.284	LPLWZPSZKLKMPP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-101050
O=C(N[C@H](c1nnc2n1CCCCC2)C)/C=Cc1cc(Cl)cc(c1)Cl	CoCoCo_4691952	379.284	PORRPOKGVJVIIZ-DGMVEKRQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101051
O=C(N[C@@H](c1nnc2n1CCCCC2)C)/C=Cc1cc(Cl)cc(c1)Cl	CoCoCo_4691954	379.284	PORRPOKGVJVIIZ-ZHRWSRJISA-N	00000000100000110101000000000010000000000000000000000000	31-01-101052
OCC(N(Cc1nnc2n1CCCCC2)C)c1cccc(c1)Br	EMOLS-id_318111694	379.295	JQEJOTRUKVQIPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101053
Brc1cnn(c1)C1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_110820793	379.298	ZTCDYNPBGKXOQY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-101054
c1(NC(=O)c2c(cccc2Cl)Cl)sc2c(CCCCCC2)c1C#N	EMOLS-id_4056687,SPECS-id_AK-968/40337447,MCULE-6561619782,ZINC22_2097836,CoCoCo_6256076,PC-id_1753948,TIMTEC417017	379.303	QYUMVGHAPGRKOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101055
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C#N	EMOLS-id_4056689,PC-id_1743885,CoCoCo_5820057,SPECS-id_AK-968/12687099,ZINC22_2085490,MCULE-2022749263	379.303	DDDCJRLXQVIHRA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101056
Clc1cc(C(=O)Nc2sc3CCCCCCc3c2C#N)ccc1Cl	PC-id_5220560	379.303	XWQHEQAUDTUUDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101057
Clc1c(C(=O)Nc2sc3CCCCCCc3c2C#N)cc(Cl)cc1	PC-id_4347678	379.303	GYSQKUOWGZHFBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101058
Clc1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)cc1Cl	ZINC22_3236049,PC-id_2353874,CoCoCo_3697594,MCULE-6712077217	379.307	INCLXVJCPVOAPW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101059
ClCc1c2-c(ccc(CCc3cc(c4-c(cc3)ccc4)CCl)c1)ccc2	PC-id_11794092	379.322	FJHFNCBLLDSSNB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-101060
Fc1cccnc1OC1CN(Cc2cccn2C1)S(=O)(=O)C(F)(F)F	EMOLS-id_55751213	379.33	DPTJOSURZSIZNI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101061
O=S(=O)(N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1)C(F)(F)F	ZINC22_575403154	379.33	DPTJOSURZSIZNI-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101062
O=S(=O)(N1Cc2cccn2C[C@H](Oc2ncccc2F)C1)C(F)(F)F	ZINC22_575403155	379.33	DPTJOSURZSIZNI-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-101063
N#CC(c1ccc(cc1)OC(F)(F)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316537483	379.336	WVMTZFJAKHIALS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101064
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)nc(o2)C(F)(F)F	EMOLS-id_101968788	379.336	XKILLWHVBXCNSN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101065
O=C(C1CCn2c(CC1)nnc2)NCc1nnc2n1cc(cc2)C(F)(F)F	EMOLS-id_319314182	379.34	MPBHBWLIONFHSD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101066
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1cccc(c1)OC(F)F	PC-id_56908818,MCULE-8298516632,EMOLS-id_43156100,ZINC22_72469622	379.358	QMCVIYBQXQWHMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101067
c1(c(OC)ccc(F)c1F)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	PC-id_72854182,EMOLS-id_46607718,MCULE-8626378125,ZINC22_95358481	379.358	KGAHIWUIKSAHTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101068
O=C1C(CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CC1(F)F	SCHEMBL19641607	379.365	GQIDUUDKBNIORD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-101069
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CC1(F)F	SCHEMBL18366504	379.365	GQIDUUDKBNIORD-DTIOYNMSSA-N	00100000100000000101000000000010000000000000000000000000	31-01-101070
BrC1=CC(=C)C=c2c(=N1)c(cn2COCC[Si](C)(C)C)C=C	PC-id_68247852,SCHEMBL12333274	379.367	IVQLWSWCMRMPBN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-101071
C1CC1CN1CCc2c(CC1)oc(n2)C(=O)Nc1cccc(c1)C(F)(F)F	PC-id_134806881	379.376	WVJIGFMEZBWWHU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-101072
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1ccc(cc1)C(=O)C	PC-id_19523618	379.376	IBDDTFITBQGGIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101073
O=C(c1noc2c1CCCCC2)Nc1cccc2c1CN(C2)CC(F)(F)F	EMOLS-id_97802099	379.376	JCYJQEOSFMODLI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101074
COC(=O)Oc1c2-c(c(c1NC(=O)C)OC(=O)OC)ccc(cc2)CS	SCHEMBL8333691	379.384	PUGGZJFJKJWJBN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-101075
o1c2-c(c(/C(=C/3C4=CC=CC=CC4=[O+]C3=O)/c3ccccc3)c1=O)ccccc2	PC-id_10673633	379.384	MMIMQIRNJULYLO-UHFFFAOYSA-N	00000011100000110110000000000110000000000000000000000000	31-01-101076
CCOC(=O)N1CCc2c(C(C1)C)cc(s2)C(C(F)(F)F)CC(=O)O	PC-id_66934395,SCHEMBL1182632	379.395	SQCZLURGHVYWKQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101077
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316440901,MCULE-8963098685	379.398	WFMBLBWGXXJNBI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-101078
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_75402833,EMOLS-id_48212048,MCULE-1917079769,ZINC22_95349386	379.399	LOPVMVJXLIKSKL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-101079
CN(C)C(=O)COCc1nnn2c1CN(Cc1ccc(F)c(F)c1)CCC2	ZINC22_2055718109,EMOLS-id_313733851	379.404	PAJHHPQHJQDGJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101080
FC(F)Oc1ccc(N(Cc2n3CCCCCc3nn2)C(=O)NCC)cc1	PC-id_7566132	379.404	NIETYTMFLHYJJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101081
FC(n1ccnc1CN1CCN(CC1)C(=O)c1noc2c1CCCCC2)F	EMOLS-id_100100097	379.404	BTWJGIQMRIUQJJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101082
O=C1C(NCc2ncn(n2)CC2CC(C2)(F)F)CCn2c(N1C)cc(n2)C	SCHEMBL19659604	379.408	IGJBIUMUZAWOJM-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-101083
O(C(=O)c1c2-c(nc1Nc1c(NC(=O)OCC)cccc1)ccccc2)CC	PC-id_14642932	379.409	YWOXNZHCYHTKDP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-101084
S(c1n2CCCCCc2nn1)C(C)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1	PC-id_78559267	379.409	UQSJJSLTFJCHSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101085
S(c1n2CCCCCc2nn1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1	PC-id_7877202	379.409	UQSJJSLTFJCHSN-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-101086
S(c1n2CCCCCc2nn1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1	PC-id_7877203	379.409	UQSJJSLTFJCHSN-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101087
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccccc1c1[nH]ccn1	MCULE-4506939901,ZINC22_72476094,EMOLS-id_43166728,PC-id_70775364	379.412	BVOWMHGSVAJUCY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101088
c1(C(=O)NC2CC2)cc2n(CCCN(C2)C(=O)Cc2c3ccccc3on2)n1	PC-id_50970143,EMOLS-id_32409816,MCULE-7482511463,ZINC22_65428386	379.412	JCXUZZODMIZVQC-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-101089
c1(C(=O)Nc2ccccc2)cc2n(CCCN(C(=O)Cc3cc(no3)C)C2)n1	ZINC22_65451411,MCULE-9920657826,EMOLS-id_32414002,PC-id_50972383	379.412	HAPJFUPBBGYWKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101090
COc1ccc(cn1)C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	MCULE-2586129157,PC-id_91910699,EMOLS-id_50590087	379.412	ZYPFJZWFBKIUNJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-101091
COc1cnc(C(=O)N2CCc3nnc(Cc4ccccc4)n3CC2)cc1O	ZINC22_97480415,MCULE-8684684235,PC-id_74236042,EMOLS-id_49651042	379.412	AHMPALCRGYANCS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-101092
COC(=O)[C@H]1CN(C(=O)c2cnc(C)n2c2ccccc2)Cc2ccnn2C1	ZINC22_1875321054	379.412	SJTCAUWIQKXKGP-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101093
COC(=O)[C@@H]1CN(C(=O)c2cnc(C)n2c2ccccc2)Cc2ccnn2C1	ZINC22_1875321055	379.412	SJTCAUWIQKXKGP-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101094
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnccc1Oc1ccccc1	EMOLS-id_320341273,MCULE-2625658184,ZINC22_376717808,PC-id_139000601	379.412	SSWRPBFAFQMOIT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-101095
O=C(N1CCCn2c(C1)cc(c2)C(=O)NO)c1c(n(nc1)c1ccccc1)C	PC-id_58465625,SCHEMBL12210476	379.412	GTPUYIQFSMBHMU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101096
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)c1ccc(n2nccc2)cc1	PC-id_56888806	379.412	ZWPUTMOGBWTBPW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101097
O=C(NCc1nnc2n1CCCCC2)c1ccc(NC(=O)c2ccco2)cc1	EMOLS-id_24466070,MCULE-1350232608,CoCoCo_4336680,ZINC22_14485226,PC-id_26112611	379.412	NLLQHBKVPJPJAL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101098
OC(=O)[C@H](CNC(=O)c1nn2c(c1)C(=O)N(CCC2)CCCN=C(N)N)C	PC-id_141815031	379.414	JJDBFGKKYQXJQF-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-101099
c12C(CCCCn1nnn2)C(=O)NCCn1c(=O)ccc(c2ccccc2)n1	EMOLS-id_49658098,PC-id_74239506,MCULE-9987447838	379.416	ZRWRRZUCPNNBJY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101100
c12CN(CCCn1nc(CNC(=O)c1ccccc1c1n[nH]cn1)c2)C(=O)C	EMOLS-id_49647230,ZINC22_97402378,PC-id_74234153,MCULE-7486900233	379.416	XGXLKOORFBGJQI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101101
C=CCOc1ccc(c2nnn(CC(=O)N3CCCn4cncc4C3)n2)cc1	EMOLS-id_43142344,MCULE-2919466942,PC-id_56904222,ZINC22_72150110	379.416	DUAMOGCMOIIPNE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101102
CN1c2cc(C)nn2CCC(NC(=O)c2ncn(Cc3ccccc3)n2)C1=O	SCHEMBL18372982,BindingDB-id_1028207	379.416	IDQXOWWCZWHDTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101103
CN1c2cn(C)nc2CC[C@H](NC(=O)c2ncn(Cc3ccccc3)n2)C1=O	SCHEMBL20262368,BindingDB-id_1066481,PC-id_134607486	379.416	RAWASACFAOHKCO-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101104
CN1c2cnn(C)c2CC[C@H](NC(=O)c2ncn(Cc3ccccc3)n2)C1=O	PC-id_134607510,SCHEMBL20262396,BindingDB-id_1066483	379.416	RSCXKHOSYZMCQB-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101105
Cn1cc2c(n1)CCC(C(=O)N2C)NC(=O)c1nn(cn1)Cc1ccccc1	PC-id_135130711,SCHEMBL20276644	379.416	RAWASACFAOHKCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101106
O=C1C(CCc2c(N1C)cnn2C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19207478	379.416	XPTZSZBWTZAFBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101107
O=C1C(CCc2c(N1C)cn(n2)C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19207526	379.416	PEQKICCWRUWOTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101108
O=C1C(CCCn2c(N1C)ccn2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366220	379.416	NAVBRZNVOKPDQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101109
O=C1C(CCCn2c(N1C)ccn2)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL18366219	379.416	AYTCJXPDMIKLST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101110
O=C1C(CCCn2c(N1C)cnc2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366230	379.416	TUJMCWFQSLYVGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101111
O=C1C(CCCn2c(N1C)cnc2)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL18371481	379.416	DRDNSXHRXATBBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101112
O=C1C(CCn2c(N1C)c(C)cn2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18372645	379.416	HTJZBMOILDTVMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101113
O=C1C(CCn2c(N1C)c(C)cn2)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL18366176	379.416	IPCCGVBFGSGCQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101114
O=C1C(CCn2c(N1C)cc(n2)C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL18366160	379.416	SFSHSWTXDYEFDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101115
O=C1C(CCn2c(N1C)c(C)nc2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366412	379.416	UWCUALZICNYCPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101116
O=C1C(CCn2c(N1C)c(C)nc2)NC(=O)c1n[nH]c(n1)Cc1ccccc1	SCHEMBL18366430	379.416	UTWOWTOUTYYXGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101117
O=C1C(CCn2c(N1C)c(C)nc2)NC(=O)c1nnn(c1)Cc1ccccc1	SCHEMBL18366431	379.416	LDNJSYBAADYJHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101118
O=C1C(CCn2c(N1C)cnc2C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366985	379.416	LYHNHZUWXNZSQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101119
O=C1C(CCn2c(N1C)nc(c2)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366918	379.416	YFOUBNONSGAKNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101120
O=C1C(CCn2c(N1C)ncc2C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366948	379.416	VWXWFWYCQZZGTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101121
O=C1C(CNn2c(C1C)c(C)cn2)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL20897279,PC-id_138542886	379.416	OEEVFUGZFWGETL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101122
O=C1C(CNn2c(C1C)cc(n2)C)NC(=O)c1nnc([nH]1)Cc1ccccc1	PC-id_138542884,SCHEMBL20897277	379.416	KOPIORBIHMHBBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101123
O=C1[C@H](CCc2c(N1C)cn(n2)C)NC(=O)c1nnc([nH]1)Cc1ccccc1	BindingDB_PC-id_130298983,SCHEMBL19207522	379.416	PEQKICCWRUWOTR-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101124
O=C1[C@@H](CCc2c(N1C)cnn2C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19207475,BindingDB_PC-id_130298937	379.416	XPTZSZBWTZAFBV-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101125
O=C1[C@H](CCc2c(N1C)cnn2C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19207574,BindingDB_PC-id_130299030	379.416	XPTZSZBWTZAFBV-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101126
O=C1[C@@H](CCc2c(N1C)cn(n2)C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19207685,BindingDB_PC-id_130299138	379.416	PEQKICCWRUWOTR-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101127
O=C1[C@H](CCCn2c(N1C)ccn2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18372806	379.416	NAVBRZNVOKPDQS-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101128
O=C1[C@H](CCCn2c(N1C)cnc2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18372949	379.416	TUJMCWFQSLYVGX-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101129
O=C1[C@H](CCn2c(N1C)c(C)cn2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18372951	379.416	HTJZBMOILDTVMW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101130
O=C1[C@@H](CCn2c(N1C)c(C)cn2)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19207567,BindingDB_PC-id_130299024	379.416	IPCCGVBFGSGCQG-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101131
O=C1[C@H](CCn2c(N1C)c(C)cn2)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19207577,BindingDB_PC-id_130299032	379.416	IPCCGVBFGSGCQG-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101132
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366334	379.416	IDQXOWWCZWHDTA-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101133
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL18366474,BindingDB_PC-id_124178946	379.416	SFSHSWTXDYEFDC-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101134
O=C1[C@@H](CCn2c(N1C)cc(n2)C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL18366475,BindingDB_PC-id_124178947	379.416	SFSHSWTXDYEFDC-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101135
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1nn(c(n1)C)Cc1ccccc1	SCHEMBL18366769	379.416	DAKVFKAXWXFSGO-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101136
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1nnc([nH]1)C(c1ccccc1)C	SCHEMBL18372415	379.416	VBVMTVOEZPLPTL-PYMCNQPYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101137
O=C1[C@@H](CCn2c(N1C)c(C)nc2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366841	379.416	UWCUALZICNYCPC-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101138
O=C1[C@@H](CCn2c(N1C)nc(c2)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18372875	379.416	YFOUBNONSGAKNS-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101139
O=C(c1ccc2nn[nH]c2c1)N1CCc2nc(C(=O)N3CCCC3)cn2CC1	ZINC22_1875246054,EMOLS-id_331100453	379.416	HCNUJGLCZSNTJP-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-101140
O=C(c1ncn(n1)Cc1ccccc1C)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18367113	379.416	MRIRGWNPPDQCMZ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101141
O=C([C@@H](n1cncn1)C)N1CCCn2c(C1)cc(n2)C(=O)Nc1ccccc1	PC-id_95130906	379.416	MJOAAATUJLEJOC-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101142
O=C([C@H](n1cncn1)C)N1CCCn2c(C1)cc(n2)C(=O)Nc1ccccc1	PC-id_95130907	379.416	MJOAAATUJLEJOC-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101143
O=C(N1CCCn2nc(cc2C1)C(=O)Nc1ccccc1)C(n1ncnc1)C	PC-id_50968410	379.416	MJOAAATUJLEJOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101144
O=C(NC1CC1)c1nn2c(CN(CCC2)C(=O)c2c(n3nccc3nc2)C)c1	PC-id_50967188	379.416	OXXPGOKWQCPAPG-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-101145
O=C(NCc1ccccc1)N1CCc2nnc(COc3cncnc3)n2CC1	PC-id_97405427,ZINC22_96084604,EMOLS-id_46182213	379.416	JAOQWHRLEJDRIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101146
O=C(NCCn1nc(c2ccccc2)ccc1=O)[C@@H]1CCCCn2nnnc12	PC-id_97911136,ZINC22_97570800	379.416	ZRWRRZUCPNNBJY-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101147
O=C(NCCn1nc(c2ccccc2)ccc1=O)[C@H]1CCCCn2nnnc12	ZINC22_97570801,PC-id_97911137	379.416	ZRWRRZUCPNNBJY-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101148
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(CC)c1ccccc1	PC-id_19523673	379.419	RSTBNZSAQWCRQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101149
c1(NC(=O)c2ccc(c(F)c2)F)sc2c(CCCCCC2)c1C(=O)OC	PC-id_3541396,ZINC22_2777211,MCULE-2508004184,SPECS-id_AK-968/41017056,TIMTEC235716,CoCoCo_5806623,EMOLS-id_5120040	379.421	JEXTVRSBTLHHMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101150
c1(NC(=O)c2cc(F)cc(F)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4835589299,CoCoCo_5823015,TIMTEC153164,SPECS-id_AK-968/14001036,EMOLS-id_8246018,PC-id_3285012,ZINC22_4614238	379.421	FQNYVYGBVCVJIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101151
C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1cc(F)ccc1F	CoCoCo_4173787,PC-id_8254731,ZINC22_7132584	379.421	SYHWBQSXOIQOFD-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101152
C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1cc(F)ccc1F	PC-id_8254727,ZINC22_7132579,CoCoCo_4173786	379.421	SYHWBQSXOIQOFD-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-101153
Fc1ccc(c(c1)NC(=O)C(OC(=O)c1cc2c(s1)CCCCC2)C)F	PC-id_24496540,EMOLS-id_29970526,MCULE-5171887815	379.421	SYHWBQSXOIQOFD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101154
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(F)cccc1F)C	PC-id_78644157	379.421	RECMASFYYFNBRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101155
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(F)cc(F)cc1)C	PC-id_78644151	379.421	MNPCVMBNNAYHEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101156
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(F)cccc1F)C	PC-id_8254734	379.421	RECMASFYYFNBRO-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-101157
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(F)cccc1F)C	PC-id_8254737	379.421	RECMASFYYFNBRO-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101158
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(F)cc(F)cc1)C	PC-id_8254720	379.421	MNPCVMBNNAYHEJ-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-101159
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(F)cc(F)cc1)C	PC-id_8254724	379.421	MNPCVMBNNAYHEJ-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101160
s1c2c(CCCCC2)c(c1NC(=O)c1c(F)cccc1F)C(=O)OCC	PC-id_3353627	379.421	HOZADCNRVLUISS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101161
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1c(F)cccc1F	PC-id_7618641	379.421	RMIDREDNXJDPPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101162
c1(NC(=O)CCC(=O)Nc2ccc(cc2F)F)sc2c(CCCCC2)n1	MCULE-1416543898,EMOLS-id_335007065	379.424	KYPPBMBZOKNXIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101163
c1(NC(=O)CCC(=O)Nc2ccc(c(F)c2)F)sc2c(CCCCC2)n1	EMOLS-id_334992479,MCULE-9876801948	379.424	JBHOFRVFOCPMRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101164
c1(NC(=O)CCC(=O)Nc2c(F)ccc(F)c2)sc2c(CCCCC2)n1	EMOLS-id_335017045,MCULE-7700209903	379.424	QQWMCOZSAJMRRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101165
s1c2CCCCCCc2nc1NC(=O)CNC(=O)c1cc(F)cc(F)c1	PC-id_56581270	379.424	QUOQSPAIWAWISO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101166
C1CN(CCc2c1nc(o2)C(=O)NCc1ccccc1)Cc1ccc(cc1)F	PC-id_134807991	379.427	DTGOABLOKXOYJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101167
c1(C(O)c2ccccc2)cc2n(CCCN(C(=O)Cc3cccc(F)c3)C2)n1	PC-id_91785776,MCULE-9652484640,EMOLS-id_55676495	379.427	IADXYBJKIKOKEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101168
Cc1ccc(cc1)C(=O)N1CCCn2c(C1)cc(n2)OCc1cccc(c1)F	SCHEMBL16704535,PC-id_118065821	379.427	KNTXTCBWKKGZBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101169
Cc1cc(cc(c1)F)CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccccc1	PC-id_134809299	379.427	OKVNDEVSNYKJEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101170
O=C(Cc1cccc(F)c1)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1	PC-id_100129522,ZINC22_222689897	379.427	IADXYBJKIKOKEE-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101171
O=C(Cc1cccc(F)c1)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1	ZINC22_222689822,PC-id_100129510	379.427	IADXYBJKIKOKEE-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101172
CCc1c2-c(ccccc2)c(c1)C=C1c2c(ccc(c2)S(=O)(=O)O)NC1=O	PC-id_87504990,SCHEMBL3285844	379.429	CPYBPWLJSSQGMF-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-101173
CCc1cc(c2-c1ccccc2)/C=C/1C(=O)Nc2c1cc(cc2)S(=O)(=O)O	SCHEMBL3285842	379.429	CPYBPWLJSSQGMF-ODLFYWEKSA-N	00000010100000100110000000001010000000000000000000000000	31-01-101174
c1(CN(c2ccc(cc2)F)C(=O)Nc2ccccc2)nnc2CCCCCn12	EMOLS-id_9987559,PC-id_7304403,ZINC22_4619763,MCULE-4238470850,CoCoCo_6270455	379.431	UPGGUGAPBZCTCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101175
c1(CN(c2ccccc2F)C(=O)Nc2ccccc2)nnc2CCCCCn12	PC-id_7267256,MCULE-2628746732,ZINC22_4518106,EMOLS-id_10085932,CoCoCo_2580193	379.431	SXGXFJGUZJGLPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101176
c1(CN(c2cccc(F)c2)C(=O)Nc2ccccc2)nnc2CCCCCn12	PC-id_7267251,CoCoCo_2580182,EMOLS-id_10085624,MCULE-8998608451,ZINC22_4518099	379.431	MVUJQSXVGCFPIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101177
c1(nnc2CCCCCn12)N(Cc1ccccc1F)C(=O)Nc1ccccc1	MCULE-6615447413,ZINC22_16769831,PC-id_4752693	379.431	YUHPZGOACBVKKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101178
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)F)C(=O)Nc1ccccc1	PC-id_4752430,MCULE-4490622703,ZINC22_16769664	379.431	ACSYRYDFEATZJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101179
c1(nnc2CCCCCn12)N(Cc1cccc(F)c1)C(=O)Nc1ccccc1	ZINC22_16769782,MCULE-5050299146,PC-id_4752604	379.431	QUDYGDSFJISBKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101180
CCOC(=O)c1c(sc2c1CCCCCC2)/N=C(/c1[n+]([nH]oc1=O)C)[O-]	PC-id_136120601	379.431	BYCYISQYHMLKGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101181
CN1CCNc2c(C1=O)n(c(n2)CNc1cc(ccc1)F)Cc1ccccc1	PC-id_134805620	379.431	NKDFHGSOJRSRNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101182
COc1ccccc1OCCNS(=O)(=O)c1cn2c(c1)C(=O)NCCC2	EMOLS-id_33086384,PC-id_53182818,MCULE-1289637720	379.431	COFHWHVEFPZFCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101183
COc1cc(NS(=O)(=O)c2cc3C(=O)N(C)CCCn3c2)cc(OC)c1	PC-id_53182865,MCULE-8764472751,EMOLS-id_33086764	379.431	ARWJBGRLZSGVSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101184
Fc1c(CN2CCn3c(nnc3CNC(=O)c3ccccc3)CC2)cccc1	PC-id_28393340	379.431	NQNDTYPNZGPDNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101185
n1c2CCCCCn2nc1CN(c1ccc(F)cc1)C(=O)Nc1ccccc1	ZINC22_28527649,PC-id_16458704,MCULE-7940194477,CoCoCo_6601109	379.431	RHSDPXVXWSEEAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101186
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)CN(C1=O)C)C(=O)OC	PC-id_8014705	379.431	HIQSPHPRVGUEOG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-101187
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccccc1Oc1ccccc1	PC-id_90625287	379.432	HFPZNAHDSDVICG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101188
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(cc1)Oc1ccccc1	PC-id_90625456	379.432	ZMTDTDRAWIAMDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101189
N1(CC(=O)Nc2sc3c(CCCCC3)c2C#N)C(=O)c2c(cccc2)C1=O	CoCoCo_792305,PC-id_1342135,EMOLS-id_2158040,TIMTEC395615,MCULE-1958972185,ZINC22_1177772,STOCK2S-28031	379.432	QAZWKHTXXIKZEE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-101190
N#Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	EMOLS-id_3062262,MCULE-1030943225,ZINC22_5752833,PC-id_4132021,CoCoCo_2918218	379.432	MFCXBKYZTOZCHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101191
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(ccc1)C#N)C#N	PC-id_35792292	379.432	QTESOYNQPNGJKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101192
c1(C(=O)Nc2ccc(c(NS(=O)(=O)C)c2)OC)cn2c(CCNCC2)n1	EMOLS-id_330491959,ZINC22_1857734209,MCULE-8753039195	379.434	NXJCHZPMFJPLPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101193
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1nnc2n1CCCCC2	PC-id_47070594,ZINC22_54979600,MCULE-9587532706,EMOLS-id_32081300	379.434	SKJAIAHYEQADFA-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101194
Cc1ccc(S(=O)(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-]	ZINC22_54979687,EMOLS-id_32081306,PC-id_47070596,MCULE-4624662185	379.434	VRQWFKOFMFKIQU-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101195
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1nnc2n1CCCCC2	ZINC22_54979821,MCULE-5130884941,EMOLS-id_32081310,PC-id_51124944	379.434	MPAZVZOWHVDKMH-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101196
COc1cc(ccn1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_46095651,PC-id_72934906,MCULE-3391333216,ZINC22_92046069	379.434	WWOZPXDTPNJKML-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101197
COc1ccc(S(=O)(=O)N)cc1C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_30245030,PC-id_45867590,ZINC22_40049253,MCULE-6039674835	379.434	OLHNULYDECEUDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101198
COc1ncccc1C(=O)N1Cc2ccnn2C[C@H](CNS(=O)(=O)C)C1	ZINC22_247887507	379.434	SBAYHAWNDRZLHQ-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101199
COc1ncccc1C(=O)N1Cc2ccnn2C[C@@H](CNS(=O)(=O)C)C1	ZINC22_247887509	379.434	SBAYHAWNDRZLHQ-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101200
COc1ncccc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_46085247,PC-id_72920642,ZINC22_91914970,MCULE-2699474001	379.434	LMHABOKFWBLSTE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101201
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3cc(C4CC4)no3)cc2C1	MCULE-3913102814,EMOLS-id_44423705,PC-id_70705551,ZINC22_82083828	379.434	AJKHKGGCQIFITN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-101202
CS(=O)(=O)NC[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn2C1	ZINC22_306132082	379.434	KXRKGDGPNAYOPM-LLVKDONJSA-N	00100000100000000101100000000010000000000000000000000000	31-01-101203
CS(=O)(=O)NC[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2ccnn2C1	ZINC22_306132083	379.434	KXRKGDGPNAYOPM-NSHDSACASA-N	00100000100000000101100000000010000000000000000000000000	31-01-101204
O=C(c1noc2c1CCCCC2)N1CCN(CC1)S(=O)(=O)c1cc[nH]n1	EMOLS-id_101733634	379.434	JHIYGYOZABXTEG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101205
S(=O)(=O)(N)c1cc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55653053	379.434	VWMHULQDYGNJAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101206
S(=O)(=O)(NC(c1n2CCCCCc2nn1)C)c1c(ccc([N+](=O)[O-])c1)C	PC-id_75266035	379.434	SKJAIAHYEQADFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101207
S(=O)(=O)(NC(c1n2CCCCCc2nn1)C)c1cc([N+](=O)[O-])c(cc1)C	PC-id_75266037	379.434	VRQWFKOFMFKIQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101208
S(=O)(=O)(NC(c1n2CCCCCc2nn1)C)c1c(c([N+](=O)[O-])ccc1)C	PC-id_75617959	379.434	MPAZVZOWHVDKMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101209
Cc1ccc(C(=O)N2Cc3ccnn3C[C@@H](Oc3ccc(C#N)cn3)C2)s1	ZINC22_247842268	379.436	QNBBBVCPAOVZKJ-INIZCTEOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101210
Cc1ccc(C(=O)N2Cc3ccnn3C[C@H](Oc3ccc(C#N)cn3)C2)s1	ZINC22_247842274	379.436	QNBBBVCPAOVZKJ-MRXNPFEDSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101211
Cc1ccc(s1)C(=O)N1CC(Cn2nccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50013516	379.436	QNBBBVCPAOVZKJ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101212
N#Cc1ccc(O[C@H]2CN(C(=O)Cc3cccs3)Cc3ccnn3C2)nc1	ZINC22_247702011	379.436	AHEOVLIREQXOCT-INIZCTEOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101213
N#Cc1ccc(O[C@@H]2CN(C(=O)Cc3cccs3)Cc3ccnn3C2)nc1	ZINC22_247702014	379.436	AHEOVLIREQXOCT-MRXNPFEDSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101214
N#Cc1ccc(O[C@H]2CN(C(=O)Cc3ccsc3)Cc3ccnn3C2)nc1	ZINC22_247746547	379.436	QAAZJFUOCMRPJV-KRWDZBQOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101215
N#Cc1ccc(O[C@@H]2CN(C(=O)Cc3ccsc3)Cc3ccnn3C2)nc1	ZINC22_247746551	379.436	QAAZJFUOCMRPJV-QGZVFWFLSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101216
O=C(c1nc2c(s1)CCN(CC2)C(=O)c1ccncc1)Nc1cccnc1	PC-id_97524670	379.436	ALXYRJMFTAABFA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101217
O=C(Cc1cccs1)N1CC(Cn2nccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50017780	379.436	AHEOVLIREQXOCT-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101218
O=C(Cc1ccsc1)N1CC(Cn2nccc2C1)Oc1ccc(cn1)C#N	EMOLS-id_50019480	379.436	QAAZJFUOCMRPJV-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101219
O=C(Nc1cccnc1)c1nc2CCN(CCc2s1)C(=O)c1cccnc1	EMOLS-id_44303808,ZINC22_96146920,PC-id_97442444	379.436	NYLMMCIMOMBSNA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101220
c1(c(CC)nc(c2ncccn2)s1)C(=O)N1CCCn2nc(C#N)cc2C1	PC-id_154820519,EMOLS-id_324286326,MCULE-1180501270,ZINC22_1857727719	379.439	YAHVADXXSOFLPA-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-101221
c12CN(CCCn1nc(CN1CCC(CC1)(F)F)c2)Cc1cc(no1)CC	ZINC22_72170542,MCULE-5118468887,EMOLS-id_43177233,PC-id_56916063	379.447	FCYAGOGHPHHECN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101222
CCOC(=O)c1n(CC=C)c(c2c1OCC(CO2)(CC)CC)C(=O)OCC	PC-id_142259653	379.447	YRGBAIJWPQOTFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101223
C1CN(Cc2cc(nn2C1)C(C1CC1)O)S(=O)(=O)Cc1ccc(cc1)F	EMOLS-id_55693585,PC-id_91791611,MCULE-3031068484	379.449	QHNJYQCDPYABNA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-101224
Fc1ccc(cc1)CNS(=O)(=O)c1cn2c(c1)C(=O)N(CCC2)C(C)C	PC-id_53182969,EMOLS-id_33087850,MCULE-6596369659	379.449	OUJRWCNTHAUERU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101225
Fc1cccnc1OCCC1CN(Cc2cccn2C1)S(=O)(=O)C1CC1	EMOLS-id_313746612	379.449	QZRWVZBAMNXHGQ-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-101226
O=S(=O)(C1CC1)N1Cc2cccn2C[C@H](CCOc2ncccc2F)C1	ZINC22_585095448	379.449	QZRWVZBAMNXHGQ-AWEZNQCLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-101227
O=S(=O)(C1CC1)N1Cc2cccn2C[C@@H](CCOc2ncccc2F)C1	ZINC22_585095452	379.449	QZRWVZBAMNXHGQ-CQSZACIVSA-N	00100000100000101101000000000010000000000000000000000000	31-01-101228
O=S(=O)(Cc1ccc(F)cc1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	PC-id_100224741,ZINC22_223289082	379.449	QHNJYQCDPYABNA-SFHVURJKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-101229
O=S(=O)(Cc1ccc(F)cc1)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_230561705	379.449	QHNJYQCDPYABNA-GOSISDBHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-101230
c12CN(CCCn1nc(C(CC)O)c2)C(=O)c1ccc(cc1)c1ccc(C)o1	PC-id_90649724,EMOLS-id_50534667,MCULE-1134568332	379.452	ODLRNGDOGNTKII-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-101231
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(c2ccc(cc2)C)o1	PC-id_56883905,EMOLS-id_43064664,ZINC22_72419307,MCULE-8404786121	379.452	DGBBMSMTTXTPKK-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-101232
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1cccc(c1)c1ccc(C)o1	MCULE-5217189305,ZINC22_72458969,EMOLS-id_43149494,PC-id_56906606	379.452	GMEDWCMLZRPTBJ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-101233
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccc(cc1)c1ccc(C)o1	MCULE-6674687306,PC-id_72865404,ZINC22_95362665,EMOLS-id_46613462	379.452	KYDZLQCLTABNJL-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-101234
CC(c1nn2CCCN(Cc2c1)C(=O)CC1=C(CCC1=O)c1ccccc1)O	PC-id_91773682	379.452	QWMWZBAQMZDVCW-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-101235
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(c3ccc(C)o3)cc1)C2	PC-id_100049443,ZINC22_219911793	379.452	ODLRNGDOGNTKII-HXUWFJFHSA-N	00000000101000110101100000000010000000000000000000000000	31-01-101236
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(c3ccc(C)o3)cc1)C2	ZINC22_219911832,PC-id_100049444	379.452	ODLRNGDOGNTKII-FQEVSTJZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-101237
C[C@H](c1cc2n(n1)CCCN(C2)C(=O)CC1=C(CCC1=O)c1ccccc1)O	PC-id_100048127	379.452	QWMWZBAQMZDVCW-OAHLLOKOSA-N	00000011100000110101100000000010000000000000000000000000	31-01-101238
C[C@@H](c1cc2n(n1)CCCN(C2)C(=O)CC1=C(CCC1=O)c1ccccc1)O	PC-id_100048129	379.452	QWMWZBAQMZDVCW-HNNXBMFYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-101239
CCOC(=O)C1=CC=C=Cc2c1cn(n2)CC1=CC(C(C=N1)OCC1CC1)C	SCHEMBL19673559	379.452	LHJWUFJDDNWTBW-UHFFFAOYSA-N	00100000100011000111000000000010000000000000000000000000	31-01-101240
n1n2CCCN(Cc3cccc(c3)Oc3ccccc3)Cc2cc1C(CO)O	MCULE-5181180309,PC-id_90649028,EMOLS-id_50532037	379.452	VFHWNDWUEYAVCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101241
O=C(NCc1nnc2n1CCCCC2)/C=Cc1ccc(cc1)N1CCCC1=O	CoCoCo_4625784	379.455	GILLLSJWHLJPJB-XFXZXTDPSA-N	00000010100000110101100000000010000000000000000000000000	31-01-101298
O(C1C2NC(C1)CC2)c1ccc(NC(=O)c2c3c([nH]c2)CCCCC3=O)cc1	SCHEMBL6093880,PC-id_10177748	379.452	AQTFZJNFXDZGPP-UHFFFAOYSA-N	00000010100010110100000000000110000000000000000000000000	31-01-101242
Oc1ccccc1CN1Cc2c(C)nn(c2OCC1COc1ccccc1)C	EMOLS-id_323939054,PC-id_146160630	379.452	LODLXPJNKIKYAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101243
OC[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc(Oc3ccccc3)c1)C2	PC-id_100040645,ZINC22_219415295	379.452	VFHWNDWUEYAVCE-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101244
OC[C@H](O)c1cc2n(n1)CCCN(Cc1cccc(Oc3ccccc3)c1)C2	PC-id_100040646,ZINC22_219415362	379.452	VFHWNDWUEYAVCE-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101245
c12CN(CCCn1nc(CCC(=O)NCCO)c2)CC(=O)N1CCOCC1	ZINC22_82134233,PC-id_70761250,MCULE-5500338811,EMOLS-id_44443265	379.454	DYJLCOFGIOCBGS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101246
c12C(=O)NCCCc1nc(NC(=O)CCS(=O)(=O)c1ccccc1)s2	PC-id_72719988,MCULE-6036856377,EMOLS-id_50139221,ZINC22_211129683	379.454	FELBOPYNJVXNNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101247
c1(NC(=O)c2ccc(N(=O)=O)s2)sc2c(CCCCC2)c1C(=O)NC	EMOLS-id_30116657,MCULE-4769551231,CoCoCo_5058674,ZINC22_4326504,PC-id_7190288,ChEMBL-DNDi_CHEMBLF1831-0035	379.454	AALYVXBTHZXVAL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-101248
CC(C)C[C@H]1C(=O)N[C@@H](Cc2cn([C@H](C(=O)N1)CC(C)C)nn2)C(=O)OC	PC-id_134940630	379.454	MPFBSXDBLIMLGM-KKUMJFAQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101249
COC(=O)c1ccc(s1)C(=O)Nc1sc2c(n1)CC(CNC2=O)(C)C	PC-id_3794058,SCHEMBL3590997	379.454	QSETXCNWWTTYMT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-101250
s1c2c(CCCCC2)c(c1NC(=O)c1sc(c([N+](=O)[O-])c1)C)C(=O)N	PC-id_55576793	379.454	KNLNDEQSEOZXHH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-101251
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1sc([N+](=O)[O-])cc1	PC-id_26636097	379.454	UZQNMYATCUPWHP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-101252
c12c(=O)[nH]c(nc(=O)c1n(cn2)CCCc1ccccc1)NC1CCCCC1	MCULE-7548678704,CoCoCo_1267419,PC-id_29087145,EMOLS-id_23812402,ZINC22_20600222	379.455	UVCRWQQEAWWBPA-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-101253
c12n(Cc3cc(C)ccc3C)cnc1c(=O)[nH]c(NC1CCCCC1)nc2=O	PC-id_30852281,ZINC22_23128872,CoCoCo_1123301,MCULE-5830179234,EMOLS-id_24851207	379.455	LRXKKRDLMHOBSB-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-101254
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3)C)CCn12	EMOLS-id_32394754,MCULE-3211057787,PC-id_45210697	379.455	GQJRYRAWIGDSFH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101255
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(C)c3)CCn12	EMOLS-id_20535443,PC-id_45201585,MCULE-9417404897	379.455	OHGNPESXKXIDAV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101256
c1(cc([nH]n1)COc1ccccc1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	MCULE-3298749926,EMOLS-id_36612826,PC-id_56758582,ZINC22_67955401	379.455	TZNYQPJWUXWZLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101257
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3ccccc3)CCn12	CoCoCo_1172298,ChEMBL-DNDi_CHEMBL15827787,EMOLS-id_20429765,MCULE-4057531813,ZINC22_11788999,PC-id_42169596,CoCoCo_1172299	379.455	NRJFWKBICKQVMH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101258
c1(cn2c(CCN(Cc3cccc4cc[nH]c34)CC2)n1)C(=O)N1CCC(O)C1	EMOLS-id_337677284,MCULE-1359942285	379.455	NSIPQORRMCKCHM-UHFFFAOYSA-N	00000010100000100101000001100010000000000000000000000000	31-01-101259
c1(cn2c(CCN(Cc3ccccc3C#N)CC2)n1)C(=O)N1CCC[C@H](O)C1	ZINC22_1940197025,MCULE-1315665942,EMOLS-id_336523962	379.455	MVAQAPZGYQTGRB-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101260
c1(cnn(Cc2ccccc2)c1)C(=O)N1CCCn2c(cc(n2)C(CC)O)C1	MCULE-9285201145,EMOLS-id_55614479,PC-id_91764185	379.455	KMXVSVXEUZHVLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101261
c1(cnoc1c1ccccc1)C(=O)NCc1cc2n(CCCN(CCC)C2)n1	EMOLS-id_44423945,PC-id_70706195,ZINC22_82086640,MCULE-1534856699	379.455	GLINSFWEMNQEIM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101262
c1(C(=O)N(C)CCn2c3ccccc3cc2)cc2n(CCCN(C(=O)C)C2)n1	MCULE-4743079556,PC-id_50982815,ZINC22_65526726,EMOLS-id_32433658	379.455	UASUNQFKRXDENM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101263
c1(C(=O)NCCNC(=O)c2cc3c(cccc3)n2C)c2CCCCCc2[nH]n1	EMOLS-id_323253169,MCULE-3197118064	379.455	IDMGMDUMLITGJC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101264
Cc1ccc(c2cc(CNC(=O)CCc3cc4n(n3)CCCNC4)no2)cc1	PC-id_70723040,ZINC22_72410558,MCULE-6004860168,EMOLS-id_43087903	379.455	BDYPLRGHDOAKNM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101265
Cc1cccc2nc(N[C@@H]3CCN(C(=O)c4n[nH]c5c4CCCCC5)C3)oc12	EMOLS-id_316813847,MCULE-2085364232,ZINC22_1775987004	379.455	POUMSFHKHJLIRY-CQSZACIVSA-N	00000010100000100101000001000010000000000000000000000000	31-01-101266
Cc1ccccc1c1ncc(CN2CCCn3nc(cc3C2)C(O)CO)cn1	MCULE-3399676553,EMOLS-id_50537269,PC-id_90650463	379.455	NEEVFZRMNKVJCC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101267
Cc1ccccc1c1ncc(CN2CCCn3nc([C@@H](O)CO)cc3C2)cn1	ZINC22_220411042,PC-id_100058171	379.455	NEEVFZRMNKVJCC-FQEVSTJZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101268
Cc1ccccc1c1ncc(CN2CCCn3nc([C@H](O)CO)cc3C2)cn1	ZINC22_220411110,PC-id_100058173	379.455	NEEVFZRMNKVJCC-HXUWFJFHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101269
Cc1ccc(cc1)CN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccco1	PC-id_29086605,ChEMBL-DNDi_CHEMBL26952045	379.455	PQYZRMQQKQXWRJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101270
Cc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	EMOLS-id_20633653,CoCoCo_1468959,CoCoCo_1468960,MCULE-4031613758,PC-id_28356430,ZINC22_19789531	379.455	IFXQWFNCMNIDQR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101271
Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c1	CoCoCo_1322516,CoCoCo_1322515,ZINC22_20911356	379.455	OHGNPESXKXIDAV-MRXNPFEDSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101272
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1	CoCoCo_1322518,CoCoCo_1322517,ZINC22_20911360	379.455	OHGNPESXKXIDAV-INIZCTEOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101273
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1	CoCoCo_1380744,CoCoCo_1380743,ZINC22_23339723	379.455	GQJRYRAWIGDSFH-MRXNPFEDSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101274
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1	CoCoCo_1380745,CoCoCo_1380746,ZINC22_23339725	379.455	GQJRYRAWIGDSFH-INIZCTEOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101275
Cc1nc2ccccc2n1CC(=O)N1CCCn2nc(cc2C1)C(O)C1CC1	PC-id_90651491,MCULE-4466119235,EMOLS-id_50541075	379.455	YWZRETYWVJUZCA-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-101276
Cc1nc2ccccc2n1CC(=O)N1CCCn2nc([C@H](O)C3CC3)cc2C1	PC-id_100065990,ZINC22_221208996	379.455	YWZRETYWVJUZCA-OAQYLSRUSA-N	00100000100000100101000001000010000000000000000000000000	31-01-101277
Cc1nc2ccccc2n1CC(=O)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_221209052,PC-id_100065991	379.455	YWZRETYWVJUZCA-NRFANRHFSA-N	00100000100000100101000001000010000000000000000000000000	31-01-101278
CCc1ccc(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)o1	CoCoCo_1230690,CoCoCo_1230689,PC-id_28954424,MCULE-4979336818,ZINC22_20450677,EMOLS-id_20471531	379.455	NVOSDACQELMFGQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101279
CC(C)C(=O)NCCc1nnc2CCN(CCn12)C(=O)C#Cc1ccccc1	MCULE-3351230530,EMOLS-id_20728339,PC-id_42421767,CoCoCo_1614053,ZINC22_12128955	379.455	RSVGMNZJNISQRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101280
CC[C@H](c1nn2c(c1)CN(CCC2)C(=O)c1cnn(c1)Cc1ccccc1)O	PC-id_100021959	379.455	KMXVSVXEUZHVLP-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101281
CC[C@@H](c1nn2c(c1)CN(CCC2)C(=O)c1cnn(c1)Cc1ccccc1)O	PC-id_100021962	379.455	KMXVSVXEUZHVLP-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101282
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1ccccc1)C2	PC-id_100050367,ZINC22_219974022	379.455	FEALOHDGXIZSTF-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101283
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1ccccc1)C2	PC-id_100050369,ZINC22_219974102	379.455	FEALOHDGXIZSTF-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101284
CN(C(=O)C1CCn2c(CC1)nnc2)CCCc1onc(c1)c1ccccc1	EMOLS-id_316625513	379.455	FXFWVAYBWIQBOU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101285
n1c(CNC(=O)N(Cc2ccccn2)Cc2ccco2)c2c(CCCCC2)[nH]1	ZINC22_426361135,PC-id_121494365,EMOLS-id_177358213,MCULE-2658525683	379.455	BSQBEHCRRBLEDT-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-101286
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccnc(c1)OC1CCCCC1	EMOLS-id_98697323	379.455	MBPAOASJLHCPIW-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-101287
o1cc(CN2CCn3c(nnc3C(NC(=O)c3c(cccc3)C)C)CC2)cc1	ChEMBL-DNDi_CHEMBL20922370,PC-id_45166076	379.455	MCXRRKWBFFSTJF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101288
O=C1N(CCC1)c1ccc(cc1)C=CC(=O)NCc1n2CCCCCc2nn1	PC-id_72056288,MCULE-4003790168,EMOLS-id_26235038	379.455	GILLLSJWHLJPJB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-101289
O=C(c1ccco1)NC(c1nnc2n1CCN(CC2)Cc1ccccc1C)C	PC-id_45168865,ChEMBL-DNDi_CHEMBL10723626	379.455	DZKDINHFTOSWDS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101290
O=C(c1ccco1)N[C@@H](c1nnc2n1CCN(CC2)Cc1ccccc1C)C	CoCoCo_1122778,CoCoCo_1122777,PC-id_30852245	379.455	DZKDINHFTOSWDS-MRXNPFEDSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101291
O=C(c1ccco1)N[C@H](c1nnc2n1CCN(CC2)Cc1ccccc1C)C	CoCoCo_1122780,CoCoCo_1122779,PC-id_30852246	379.455	DZKDINHFTOSWDS-INIZCTEOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101292
O=C(c1cn2c(n1)CCN(Cc1cccc3cc[nH]c13)CC2)N1CC[C@H](O)C1	ZINC22_2100557136	379.455	NSIPQORRMCKCHM-KRWDZBQOSA-N	00000010100000100101000001100010000000000000000000000000	31-01-101293
O=C(c1cn2c(n1)CCN(Cc1cccc3cc[nH]c13)CC2)N1CC[C@@H](O)C1	ZINC22_2100557137	379.455	NSIPQORRMCKCHM-QGZVFWFLSA-N	00000010100000100101000001100010000000000000000000000000	31-01-101294
O=C(c1noc2c1CCCCC2)N1CCN(CC1)Cc1nc2c([nH]1)cccc2	EMOLS-id_100015883	379.455	GTEGBQHRNDLDRB-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-101295
O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCc1nnc2n1CCCCC2	ZINC22_12798496,CoCoCo_4625783,PC-id_17531240	379.455	GILLLSJWHLJPJB-FMIVXFBMSA-N	00000010100000110101100000000010000000000000000000000000	31-01-101296
O=C(Nc1ccccc1NC(=O)C1CCn2c(CC1)nnc2)CC1CCC=C1	EMOLS-id_316505218	379.455	MWBQSVBIGKQKDL-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-101297
O=C(NCCc1n2CCN(CCc2nn1)Cc1cc(ccc1)C)c1ccoc1	PC-id_29151198	379.455	IHZXZFZBKQLIHG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101299
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1ccccc1Cn1cccn1	EMOLS-id_43105593,MCULE-2615031835,PC-id_56893853,ZINC22_72424428	379.456	JRVKOWLQHXRYCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101300
C1CC1Cn1c(=O)n2CCN(CCc2n1)C(=O)CCc1c[nH]c2ccccc12	PC-id_91922444	379.456	LKEPDVAVWBRCKC-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-101301
c1(cn2c(CCNCC2)n1)C(=O)N1CCC2(CC1)c1ccccc1N(C)C2=O	MCULE-4367839825,ZINC22_1857716218,EMOLS-id_330374130	379.456	CAHHJEQKVKRLBK-UHFFFAOYSA-N	00000010100010100101000000000010000000000000000000000000	31-01-101302
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)CCc3ccccc3)C2)n1	MCULE-5374408820,PC-id_91775305,EMOLS-id_55646132	379.456	FEALOHDGXIZSTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101303
c1(C(=O)N2CCn3c(CC2)nc(CCc2ccccc2)n3)cc(on1)C(C)C	MCULE-1904226764,PC-id_164687918	379.456	HMBKDBFORUYPTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101304
c1(C(=O)N2CCn3c(CC2)nnc3CCc2ccccc2)cc(on1)C(C)C	PC-id_56718366,ZINC22_67878857,MCULE-3598811985,EMOLS-id_36457143	379.456	WMPRRRSJAGHHNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101305
Cc1noc(C)c1CCC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337834613,MCULE-9340455937,ZINC22_2356166194	379.456	XCEGQSYDFPXQBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101306
CC(C)c1cnc(c2ccc(NC(=O)N3CCCc4c(cnn4C)C3)cc2)o1	ZINC22_416842793,MCULE-4292251776,EMOLS-id_316208936	379.456	KALALVLGYAPPRM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101307
C=CCN(C(=O)c1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2)CC=C	EMOLS-id_316781057	379.456	KQKQOKJBZPZGQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101308
COc1ccc(c2ncc(CN3CCCn4nc([C@@H](C)O)cc4C3)cn2)cc1	PC-id_100042195,ZINC22_219497677	379.456	OBMNLSCLJHSGJJ-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101309
COc1ccc(c2ncc(CN3CCCn4nc([C@H](C)O)cc4C3)cn2)cc1	ZINC22_219497743,PC-id_100042197	379.456	OBMNLSCLJHSGJJ-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101310
COc1ccc(cc1)c1ncc(CN2CCCn3nc(cc3C2)C(C)O)cn1	PC-id_90649153,MCULE-1352250565,EMOLS-id_50532443	379.456	OBMNLSCLJHSGJJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101311
n12CCC(CCc1nn(CC1CC1)c2=O)NC(=O)Cc1c2ccccc2[nH]c1	PC-id_91910844,EMOLS-id_50586501,MCULE-8312276222	379.456	OHUQITVFAUIOGK-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-101312
o1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc2c1cccc2	PC-id_46692001	379.456	MYGTXBHGCSKKQH-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-101313
C1CCc2nnc(n2CC1)/C(=C(/CN1CCN(CC1)c1ccccn1)O)/C#N	PC-id_135666956	379.459	DOZJQHVTLKBEPE-MSUUIHNZSA-N	00000000100010101101100000000010000000000000000000000000	31-01-101314
c1(ccnn1C(C)c1ccccc1)NC(=O)NCc1nnc2CCCCCn12	EMOLS-id_48645680,MCULE-1837289784,PC-id_72924031	379.459	NPZUJRRTGWPATM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101315
c1(CN(C)C(=O)Nc2cccc(c2)c2[nH]c(nn2)C)c2CCCCCc2[nH]n1	EMOLS-id_68932586,PC-id_118791254,ZINC22_299799546,MCULE-1335185123	379.459	HCNUXMNQRWHWJY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101316
c1(CN(C)C(=O)Nc2cccc(c2)Cn2cncn2)c2CCCCCc2[nH]n1	PC-id_72851527,ZINC22_95501202,MCULE-5112341855,EMOLS-id_48626248	379.459	FGKVAVUZGNJPDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101317
c1(CN(C)C(=O)NCc2ccccc2n2cncn2)c2CCCCCc2[nH]n1	EMOLS-id_177445023,PC-id_121505312,MCULE-6814034567,ZINC22_426537438	379.459	GWOGNEIBQOTMNC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101318
c1(C(=O)NCc2c3cccnc3[nH]n2)cn2c(CCN(C/C=C(C)/C)CC2)n1	MCULE-5662402616,ZINC22_1875248694,EMOLS-id_331088949	379.459	HWJBDTUYCFLQEN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101319
c1(C(=O)NC(C)c2nncn2C)cc2n(CCCN(Cc3ccccc3)C2)n1	EMOLS-id_32370988,PC-id_50949699,MCULE-1350100962	379.459	WSQGXGQGUYHSDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101320
c1(n(C)nc(c2cccnc2)c1)NC(=O)N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_95499709,MCULE-2557705628,PC-id_72846980,EMOLS-id_48625016	379.459	KWOHDFATNQLCGT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-101321
Cc1ccc(n2cccn2)cc1NC(=O)NCCc1nnc2n1CCCCC2	ZINC22_252487248,MCULE-8962739912,EMOLS-id_75993619,PC-id_119046534	379.459	HTNYDJZUQRIUPG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101322
Cc1ccn(c2ccccc2NC(=O)NCCc2nnc3n2CCCCC3)n1	PC-id_136514709,MCULE-4819411020,EMOLS-id_316883468,ZINC22_151071627	379.459	FGBTUCRLBDUBCS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101323
Cc1nn(C)cc1NC(=O)CN1CCc2nnc(Cc3ccccc3)n2CC1	ZINC22_244605575,MCULE-3984461896,EMOLS-id_55638480,PC-id_91833622	379.459	FBBZPDJLIRABCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101324
C[C@@H](c1ccccc1)n1nccc1NC(=O)NCc1nnc2n1CCCCC2	PC-id_97283664,ZINC22_95526393	379.459	NPZUJRRTGWPATM-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101325
C[C@H](c1ccccc1)n1nccc1NC(=O)NCc1nnc2n1CCCCC2	ZINC22_95526394,PC-id_97283665	379.459	NPZUJRRTGWPATM-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101326
C[C@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2)c1nncn1C	PC-id_95120258,ZINC22_65371648	379.459	WSQGXGQGUYHSDE-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101327
C[C@@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2)c1nncn1C	PC-id_95120259,ZINC22_65371649	379.459	WSQGXGQGUYHSDE-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101328
C[C@@H](NC(=O)CCc1cc2n(n1)CCCNC2)c1ccc(n2cncn2)cc1	PC-id_95868436,ZINC22_72422014	379.459	ATBCMUKKFOUYJJ-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101329
C[C@H](NC(=O)CCc1cc2n(n1)CCCNC2)c1ccc(n2cncn2)cc1	ZINC22_72422013,PC-id_95868435	379.459	ATBCMUKKFOUYJJ-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101330
CC(NC(=O)CCc1cc2CNCCCn2n1)c1ccc(cc1)n1cncn1	PC-id_70730766,MCULE-2483974632,EMOLS-id_43101635	379.459	ATBCMUKKFOUYJJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101331
CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCc1nc(c2ccccc2)n[nH]1	EMOLS-id_177379301,PC-id_121496998,MCULE-9966404658,ZINC22_426402186	379.459	YGWVRPYQOYBOBJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101332
CN=C(NCc1nnc2n1CCCCC2)NCc1coc(n1)c1ccccc1	PC-id_111552090	379.459	QUSOXWLPIHPXSR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101333
CN=C(NCc1nnc2n1CCCCC2)NCc1ncoc1c1ccccc1	PC-id_120066351	379.459	BDHVIHBTUGIIFI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101334
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)[C@@H](N)Cc1c[nH]cn1	ZINC22_2356163644,EMOLS-id_337790846,MCULE-3111018642	379.459	MBPDSRLDBZFXOE-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101335
O=C(CN1CCN(CC1)c1ncccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78738409	379.459	IUYSXPCXLCVPNZ-UHFFFAOYSA-N	00000011000010101111100000000010000000000000000000000000	31-01-101336
O=C(CN1CCN(CC1)c1ncccc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8616263	379.459	IUYSXPCXLCVPNZ-CAPFRKAQSA-N	00000011000010101111100000000010000000000000000000000000	31-01-101337
O=C(NCc1cc2n(n1)CCCNC2)N[C@@H](Cn1ccnc1)c1ccccc1	ZINC22_426506559	379.459	GKEMGDKZFXYIRS-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-101338
O=C(NCc1cc2n(n1)CCCNC2)N[C@H](Cn1ccnc1)c1ccccc1	ZINC22_426506560	379.459	GKEMGDKZFXYIRS-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101339
O=C(NC(c1ccccc1)Cn1cncc1)NCc1nn2c(c1)CNCCC2	MCULE-9602872000,PC-id_121503267,EMOLS-id_177428969	379.459	GKEMGDKZFXYIRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101340
O=C(NCc1n2CCCCCc2nn1)c1nn(nc1C)c1c(cc(cc1)C)C	PC-id_46524883	379.459	FSQSZXWEEZUIBG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101341
O=C(NCCc1n2CCCCCc2nn1)c1nnn(c1C)c1cc(ccc1)C	PC-id_55855919	379.459	WJYXIPZIBWLVBT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101342
O=C(NCCc1n2CCCCCc2nn1)NCc1cn(nc1)c1ccccc1	PC-id_55597181	379.459	VYRYMHRHNLLSID-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101343
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCCCC2)c1C(=O)OC	CHEMBL1404524,TIMTEC48696,ChEMBL-DNDi_CHEMBL1404524,BindingDB-id_113312,BindingDB_PC-id_2931108,MCULE-7028838625,PC-id_2931108,EMOLS-id_2440565	379.47	AMPUZJDFTNGAOY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-101344
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_896825,ZINC22_2748390,PC-id_2165473	379.47	AMPUZJDFTNGAOY-NEPJUHHUSA-N	00000000100010000100000000000010000000000000000000000000	31-01-101345
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2	PC-id_2165467,ZINC22_2748387,CoCoCo_896826	379.47	AMPUZJDFTNGAOY-NWDGAFQWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-101346
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_2748388,CoCoCo_896828,PC-id_2165469	379.47	AMPUZJDFTNGAOY-VXGBXAGGSA-N	00000000100010000100000000000010000000000000000000000000	31-01-101347
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_2748389,CoCoCo_896827,PC-id_2165471	379.47	AMPUZJDFTNGAOY-RYUDHWBXSA-N	00000000100010000100000000000010000000000000000000000000	31-01-101348
s1c2CCCCCc2cc1C(=O)OCC(=O)N1CCC(CC1)C(=O)OC	PC-id_55309013	379.47	SVUUCQAYOMLRKF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-101349
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C1CCCC1)C(=O)OC	PC-id_8019957	379.47	DXPTUARPBNQRFX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-101350
Cc1cc(c(c(c1S(=O)(=O)N1CCCn2c(cc(n2)CO)C1)C)C)OC	MCULE-1779405574,EMOLS-id_55624412,PC-id_91767675	379.474	BDBATLPFYFFBOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101351
COc1ccc(cc1)S(=O)(=O)N1CCCn2cnc(COC(C)C)c2C1	EMOLS-id_44371424,PC-id_97520024,ZINC22_96259944	379.474	KIRNQUYFQWQQFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101352
COC(=O)CCC(=O)N1CCc2c(CC1)nc(s2)C(=O)N1CCCCC1	PC-id_97407243	379.474	LXXIJZFXEKFXCC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101353
Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc2c(s1)CCCCC2	PC-id_48666678,EMOLS-id_44552881,ZINC22_65565811,MCULE-1206450555	379.475	HYZTZTLNIFAGCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101354
N#Cc1c(NC(=O)c2ccc(N3CCCC3=O)cc2)sc2c1CCCCC2	ZINC22_84388134,PC-id_71904475,EMOLS-id_44513111,MCULE-4402244882	379.475	FRVKGKCCTQGPEJ-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-101355
s1c2c(CCCCCC2)c(c1NC(=O)CCCCCCCC)C(=O)OC	PC-id_4367985	379.557	QXFXHTIACDYOOF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101552
Oc1c(C[NH+]2CCn3c(nnc3CCc3ccccc3)CC2)cccc1OC	PC-id_42397588	379.475	RYIRHWNORFTXAB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-101356
O=C(/C=C/c1cccs1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_306138119	379.475	RPQRHZJZKXMSOZ-CSHXORCISA-N	00000000100100101101000000000010000000000000000000000000	31-01-101357
O=C(/C=C/c1cccs1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_306138120	379.475	RPQRHZJZKXMSOZ-SGQUHAKNSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101358
O=C(/C=C/c1cccs1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_306142002	379.475	WMKVLCRFEZGSFV-IHHMQQGQSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101359
O=C(/C=C/c1cccs1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_306142003	379.475	WMKVLCRFEZGSFV-UCFODXPJSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101360
O=C(/C=C/c1cccs1)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_306127059	379.475	FNJFHYRYWZJUCF-UEKDZROGSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101361
O=C(/C=C/c1cccs1)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_306127060	379.475	FNJFHYRYWZJUCF-ZMBJWTFHSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101362
O=C(/C=C/c1cccs1)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_50010394	379.475	RPQRHZJZKXMSOZ-CMDGGOBGSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101363
O=C(/C=C/c1cccs1)N1CC(Cn2cccc2C1)OCc1cccnc1	EMOLS-id_50006746	379.475	WMKVLCRFEZGSFV-BQYQJAHWSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101364
O=C(/C=C/c1cccs1)N1CC(Cn2cccc2C1)OCc1ccncc1	EMOLS-id_50006756	379.475	FNJFHYRYWZJUCF-AATRIKPKSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101365
s1c2c(CCCCC2)c(c1NC(=O)c1cc(n2cccc2)ccc1)C(=O)N	PC-id_60605779	379.475	UGZYRIKRENZOAS-UHFFFAOYSA-N	00000000110000110100100000000010000000000000000000000000	31-01-101366
s1c2CCCCCc2nc1NC(=O)C1C=CC(=NC1=O)c1cc(ccc1)C	PC-id_76262360	379.475	LEAVYBTZPWHPNN-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-101367
s1c2CCCCCc2nc1NC(=O)c1cc(OCc2cccnc2)ccc1	PC-id_55776276	379.475	GEJWOTGHAKVSJF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-101368
s1c2CCCCCc2nc1NC(=O)c1c(=O)[nH]c(c2cc(ccc2)C)cc1	PC-id_55758829	379.475	JNOVZLRRSLNWKD-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-101369
s1c2CCCCCCc2cc1C(=O)Nc1ccc(Oc2ncccn2)cc1	PC-id_52668366	379.475	KCVXWDWRKYDFPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101370
s1c2CCCCCCc2nc1NC(=O)c1c(=O)[nH]c(cc1)c1ccccc1	PC-id_56021986	379.475	ITHHIKAYTZFRAJ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-101371
Cc1cc(CN2Cc3ccnn3C[C@@H](CCNS(=O)(=O)C3CC3)C2)no1	ZINC22_306140802	379.477	VEKXSYBDSFDLLK-AWEZNQCLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-101372
Cc1cc(CN2Cc3ccnn3C[C@H](CCNS(=O)(=O)C3CC3)C2)no1	ZINC22_306140803	379.477	VEKXSYBDSFDLLK-CQSZACIVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-101373
Cc1cc(CN2CC(CCNS(=O)(=O)C3CC3)Cn3nccc3C2)no1	EMOLS-id_50375277	379.477	VEKXSYBDSFDLLK-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-101374
CC(C)S(=O)(=O)NCc1nnc2CCN(Cc3ccccc3O)CCn12	EMOLS-id_232744143,MCULE-2851811650,PC-id_42361896,ZINC22_12028460,ChEMBL-DNDi_CHEMBL43427213	379.477	JOLVDARNSZKJPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101375
CCn1nc(C)cc1S(=O)(=O)N1CCCn2nc(cc2C1)C(O)C1CC1	EMOLS-id_55642806,PC-id_91774159,MCULE-9134204500	379.477	GIIIKWCZNVKMPE-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-101376
CCn1nc(C)cc1S(=O)(=O)N1CCCn2nc([C@@H](O)C3CC3)cc2C1	ZINC22_219878703,PC-id_100049074	379.477	GIIIKWCZNVKMPE-KRWDZBQOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-101377
CCn1nc(C)cc1S(=O)(=O)N1CCCn2nc([C@H](O)C3CC3)cc2C1	ZINC22_219878760,PC-id_100049075	379.477	GIIIKWCZNVKMPE-QGZVFWFLSA-N	00100000100000000101000000000010000000000000000000000000	31-01-101378
Cn1cnc(c1)S(=O)(=O)N1CC(Cn2nccc2C1)OCC1CCCC1	EMOLS-id_50015092	379.477	BFKXGAPWIAXNGG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-101379
Cn1cnc(S(=O)(=O)N2Cc3ccnn3C[C@@H](OCC3CCCC3)C2)c1	ZINC22_306124076	379.477	BFKXGAPWIAXNGG-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-101380
Cn1cnc(S(=O)(=O)N2Cc3ccnn3C[C@H](OCC3CCCC3)C2)c1	ZINC22_306124077	379.477	BFKXGAPWIAXNGG-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-101381
CN(Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1nnc2n1CCOCC2	ZINC22_1615555004,EMOLS-id_320330695,MCULE-9297454466	379.477	ZUIYYVTUCILCHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101382
COCCN(Cc1cccs1)C(=O)Cn1nc2CCC(N)CCn2c1=O	MCULE-8843753114,EMOLS-id_50590590,PC-id_91922752	379.477	ZTCNLRBLEIYMEE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-101383
S(c1n2CCCCCc2nn1)CC1=C([C@H](NC(=O)N1)CC)C(=O)OCC	PC-id_7877305	379.477	ZBLSOISYBOGMNH-LLVKDONJSA-N	00000000100011000101000000000010000000000000000000000000	31-01-101384
S(c1n2CCCCCc2nn1)CC1=C([C@@H](NC(=O)N1)CC)C(=O)OCC	PC-id_7877307	379.477	ZBLSOISYBOGMNH-NSHDSACASA-N	00000000100011000101000000000010000000000000000000000000	31-01-101385
S(c1n2CCCCCc2nn1)CC1=C(C(NC(=O)N1)CC)C(=O)OCC	PC-id_78559286	379.477	ZBLSOISYBOGMNH-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-101386
C1CCc2nnc(n2CC1)/C(=C(/C[NH+]1CCN(CC1)c1ccccc1)O)/C#N	PC-id_135553087	379.479	HOMSRNSNFYKLNQ-HNENSFHCSA-O	00000000100010110101100000000010000000000000000000000000	31-01-101387
CCn1nnc2cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)ccc12	ZINC22_95364863,PC-id_75404468,MCULE-2399083790,EMOLS-id_48218704	379.479	JBERGKGAERHSDB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101388
N#Cc1ccc2c(c1)[nH]c(n2)C(NC(=O)c1cc2c(s1)CCN(CC2)C)C	PC-id_70284169,SCHEMBL8134111	379.479	FNWKYBGZNGVNLW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101389
N#Cc1c(NC(=O)c2cnc3c(c2)c(C)nn3C)sc2c1CCCCCC2	EMOLS-id_98152815	379.479	FGQPLMHQQUAEHZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101390
N#Cc1c(sc2c1CCCCCC2)NC(=O)c1cc(C)nc2c1cnn2C	EMOLS-id_111580379	379.479	XAPYJHCYMQDPKJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101391
N#CCCn1cc(c2c1cccc2)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3081596,CoCoCo_3081597	379.479	QEUSIHBJNVTTFR-NBVRZTHBSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101392
N#CCCn1cc(c2c1cccc2)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3081598,CoCoCo_3081595	379.479	QEUSIHBJNVTTFR-JXAWBTAJSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101393
N#CCCn1cc(C(=O)CSc2nnc3n2CCCCC3)c2ccccc12	EMOLS-id_11706084,PC-id_7876834,MCULE-6555416493,ZINC22_6097357,CoCoCo_3081594	379.479	UUSFWNKSZUKMJR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101394
O=C(C[NH+]1CCN(CC1)c1ccccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78639943	379.479	YDNRKONGPHFZLT-UHFFFAOYSA-O	00000011000010110111100000000010000000000000000000000000	31-01-101395
O=C(C[NH+]1CCN(CC1)c1ccccc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8240912	379.479	YDNRKONGPHFZLT-DYTRJAOYSA-O	00000011000010110111100000000010000000000000000000000000	31-01-101396
S(c1ncccc1C(=O)NCc1n2CCCCCc2nn1)c1ccccc1	PC-id_51185255	379.479	ZYWSZPSDHUTUSA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-101397
Cn1cc(S(=O)(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cn1	EMOLS-id_31953173,MCULE-4535162774,ZINC22_46034144,PC-id_47034928	379.48	VWQCUXOOXWYFKT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101398
CCCCCCCCCCCCn1c(c2c(c1C(=O)O)OCCCO2)C=O	SCHEMBL15198919,PC-id_89759377	379.49	SUEIVLMREUHTJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101399
CCOC(=O)C(c1c2-c(c(ccc(c2)C(C)C)C)cc1)C1=CC1C(C)(C)N=O	SCHEMBL8821509,PC-id_88370262	379.492	ZIQPOLPMMAKODZ-UHFFFAOYSA-N	00110010100000000110000000000010000000000000000000000000	31-01-101400
c1(sc2c(CCCCC2)c1C(=O)OC)NS(=O)(=O)c1ccc(cc1)C	TIMTEC208249,ZINC22_18269690,EMOLS-id_4057136,CoCoCo_5823507,MCULE-9421255433,SPECS-id_AK-968/15252190,PC-id_1011942	379.494	IAGJSJCAEDTWCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101401
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc3c(s2)CCCCC3)c1	MCULE-7953647746,PC-id_31618511,CoCoCo_3916979,EMOLS-id_25632980,ZINC22_24153165	379.494	XEAHNPNRASBJLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101402
CC(C1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC)O	PC-id_91027960	379.495	NDJMFSRHUVBVAY-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-101403
CC(C1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC)O	PC-id_136044501	379.495	HQVFKVBEIWZZLT-LPYMAVHISA-N	00000011110000000100100000000010000000000000000000000000	31-01-101404
Cn1ccc2c1C(=NCCC2=O)OCCCN1CCC(CC1)c1ccccc1	SCHEMBL6994159,PC-id_20083193	379.495	WARYPNMNUWQBIP-UHFFFAOYSA-N	00000000100010110110100000000010000000000000000000000000	31-01-101405
Cn1ccc2c1C(=O)N(CCCN1CCC(CC1)c1ccccc1)CCC2=O	SCHEMBL6992443,PC-id_10785970	379.495	OUUKOOHPFVQNMW-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-101406
O=C1N(CCCN2CCC(CC2)c2ccccc2)CCC(=O)c2c1ccn2C	PC-id_10809747,SCHEMBL6774433	379.495	QHKQWKCZJQQHJQ-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-101407
OC(C1CCCCCCc2[nH]c(c1c2)/C=c
/[nH]/c(=C/2N=CC=C2)/cc1OC)C	PC-id_59896552	379.495	NDJMFSRHUVBVAY-XBYLOEFOSA-N	00000011110000000100100000000010000000000000000000000000	31-01-101408
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(SCC)s1	EMOLS-id_46615874,ZINC22_95364374,MCULE-5758595049,PC-id_72870265	379.497	UMTPDZJJTAAVDX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-101409
c12CN(CCCn1nc(CNC(=O)COC)c2)CC(C)(C)N1CCOCC1	ZINC22_82156106,EMOLS-id_44449029,MCULE-5704282947,PC-id_70777827	379.497	ACFMMRGWCNWTON-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101410
Cc1cc(c(c(c1C)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2)C)C	PC-id_90625662	379.497	PCEADEMBYYLOIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101411
Cc1ccc(cc1)S(=O)(=O)NCC(=O)Nc1nc2CCCCCc2s1	EMOLS-id_334605181,MCULE-3751313985	379.497	HEMUBXODJGBSMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101412
Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1NS(=O)(=O)C	MCULE-7055643269,ZINC22_32760215,PC-id_39984415,EMOLS-id_24059192,CoCoCo_4709644	379.497	RSSZTULHNIMTKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101413
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625635	379.497	NSUHZRNRVMSNHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101414
CN(c1ccccc1C(=O)Nc1nc2c(s1)CCCCC2)S(=O)(=O)C	PC-id_25629491,EMOLS-id_24102372,CoCoCo_4610754,MCULE-6967976879,ZINC22_12951581	379.497	YPCQUXSXCKYLKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101415
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCCN1CCOCC1)C2	PC-id_100044582,ZINC22_219621695	379.497	JSNNZFILLYLVFK-GOSISDBHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101416
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCCN1CCOCC1)C2	ZINC22_219621765,PC-id_100044584	379.497	JSNNZFILLYLVFK-SFHVURJKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101417
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)CCCN1CCOCC1	EMOLS-id_55637188,MCULE-9158811987,PC-id_91772155	379.497	JSNNZFILLYLVFK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101418
CN(C(=O)c1cccc(c1)S(=O)(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_100904844	379.497	BMSDLPIFKPJQHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101419
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1	ZINC22_12828294,EMOLS-id_15288706,MCULE-5173604170,CoCoCo_4546044,PC-id_17491938	379.497	SWXROOXMPFNFFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101420
CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc3c(s2)CCCCC3)c1	ZINC22_12752927,EMOLS-id_17159205,CoCoCo_4564247,PC-id_24231842,MCULE-8780855142	379.497	CMLATYRPQGHIGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101421
NS(=O)(=O)Cc1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)cc1	PC-id_51130205,MCULE-5397444552,ZINC22_58247143,EMOLS-id_32150899	379.497	JOTVAHKQXBYSHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101422
O=C(Cn1c(C)csc1=O)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_50297412,MCULE-2799856876	379.497	NNVADYNMHGHXPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101423
O=C(NCCc1n2CCCCCc2nn1)NCCCCCCC(=O)OCC	PC-id_52215951	379.497	LVZKAYYPMWKHQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101424
s1c2CCCCCc2cc1C(=O)NNC(=O)CCn1c(csc1=O)C	PC-id_27164743	379.497	VRZZNBSXDUCFKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101425
s1c2c(CCCCC2)c(c1NC(=O)CCn1c(csc1=O)C)C(=O)N	PC-id_60392721	379.497	WYNFOMOGRIFHMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101426
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(ccn1)C)C(=O)OC	PC-id_19727772	379.497	SJLFUEUTCMKQTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101427
s1c2c(CCCCC2)c(c1NC(=S)Nc1noc(c1)C)C(=O)OCC	PC-id_19686998	379.497	FAHSGUCRCFULMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101428
s1c2CCCCCc2nc1NC(=O)c1cc(NS(=O)(=O)CC)ccc1	PC-id_24672514	379.497	ZVZJVIMJKFVWTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101429
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1nc(sc1)COC	PC-id_48590212	379.497	NDFPDCUDMMOBLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101430
s1c2c(CCCCCC2)c(c1NC(=S)Nc1noc(c1)C)C(=O)OC	PC-id_19686992	379.497	YPKHTQOJHHQZOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101431
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nocc1)C(=O)OCC	PC-id_19686917	379.497	QCULQAUNKJKUMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101432
s1c2CCCCCCc2nc1NC(=O)c1c(NS(=O)(=O)C)cccc1	PC-id_56021080	379.497	MEQVSWWYSXVDGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101433
c12CN(CCCn1nc(CCC(=O)NC(C)C)c2)Cc1ccc2c(cc[nH]2)c1	ZINC22_91616383,PC-id_72878885,MCULE-3917452886,EMOLS-id_46054779	379.499	JAFQAFOJWDFHCO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101434
c12CN(CCCn1nc(CN(C)Cc1ccno1)c2)CC(C)c1ccccc1	PC-id_56892159,MCULE-5568667417,EMOLS-id_43098349	379.499	JUXAYIVGZITZMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101435
c1(CN(C)Cc2ccc(c(Cn3cccn3)c2)OC)c2CCCCCc2[nH]n1	EMOLS-id_222766809,MCULE-4745421555,ZINC22_670449780	379.499	BIKQOANPIRBRKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101436
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3c[nH]c(CCCC)n3)C2)n1	MCULE-7849989742,PC-id_90648106,EMOLS-id_50528635	379.499	IZHYUXPKOBMMAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101437
c1(C(=O)NCCCCCc2n(C)c3c(cccc3)n2)c2CCCCCc2n[nH]1	PC-id_75490641,ZINC22_96232463,MCULE-2921526983,STOCK7S-47655,EMOLS-id_50400250,EMOLS-id_49249704	379.499	REFVGXKAAVIUMO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101438
CC(C)c1ccc(cc1)n1cc(CN2CCCn3nc(cc3C2)C(C)O)cn1	PC-id_90649870,EMOLS-id_50535149,MCULE-3476408675	379.499	MNLCVNQJKJNXMJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101439
CC(C)c1ccc(n2cc(CN3CCCn4nc([C@@H](C)O)cc4C3)cn2)cc1	ZINC22_219980425,PC-id_100050469	379.499	MNLCVNQJKJNXMJ-QGZVFWFLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101440
CC(C)c1ccc(n2cc(CN3CCCn4nc([C@H](C)O)cc4C3)cn2)cc1	ZINC22_219980482,PC-id_100050471	379.499	MNLCVNQJKJNXMJ-KRWDZBQOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101441
CCCCc1ncc([nH]1)CN1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_100025819	379.499	IZHYUXPKOBMMAJ-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101442
CCCCc1ncc([nH]1)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_100025822	379.499	IZHYUXPKOBMMAJ-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101443
CC(C)CCNC(=O)c1cnc2n1CCN(CC2)Cc1cc2c(cc1)[nH]cc2	PC-id_134806196	379.499	WLYYFBNNEYXIII-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101444
CC(C)CCNC(=O)c1cnc2n1CCN(CC2)Cc1c[nH]c2ccccc12	PC-id_134810699	379.499	DGZDLGYFFBXTOO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101445
CC[C@H](c1cc2n(n1)CCCN(C2)Cc1c(C)cc(cc1n1cccn1)C)O	PC-id_100023746	379.499	SOSOWNUXFPIAIW-JOCHJYFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101446
CC[C@@H](c1cc2n(n1)CCCN(C2)Cc1c(C)cc(cc1n1cccn1)C)O	PC-id_100023749	379.499	SOSOWNUXFPIAIW-QFIPXVFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101447
CCC(O)c1cc2CN(Cc3c(C)cc(C)cc3n3cccn3)CCCn2n1	PC-id_90648017,EMOLS-id_50528303,MCULE-9533984627	379.499	SOSOWNUXFPIAIW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101448
C[C@@H](CN1CCCn2nc(CN(C)Cc3ccno3)cc2C1)c1ccccc1	ZINC22_72145479,PC-id_95715312	379.499	JUXAYIVGZITZMB-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101449
C[C@H](CN1CCCn2nc(CN(C)Cc3ccno3)cc2C1)c1ccccc1	ZINC22_72145480,PC-id_95715313	379.499	JUXAYIVGZITZMB-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101450
Cn1cc(c2ccccc12)CN(C)C1CCc2nn(c(=O)n2CC1)CC1CC1	PC-id_91922738	379.499	BLHHZOSXKPATKL-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-101451
n12CCN(CCc1nnc2CCNC(=O)C1CCC1)CC=Cc1ccccc1	PC-id_74801244,MCULE-5093438445	379.499	JRIMDGUMBQIPDF-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-101452
O=C(C12CCCN(C1)CC2)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	MCULE-7481200841,EMOLS-id_319908359	379.499	PEZSTHBYWPMTAI-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-101453
O=C(C1CCC1)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccccc1	CoCoCo_1151747,CoCoCo_1151749	379.499	JRIMDGUMBQIPDF-YVMONPNESA-N	00001000100000110101000000000010000000000000000000000000	31-01-101454
O=C(CCc1cc2CNCCCn2n1)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1	ZINC22_72468633,EMOLS-id_43154875,MCULE-3593054660,PC-id_70766236	379.499	GEMVIALNJLCTLH-SFTDATJTSA-N	00000010100000110101000000000110000000000000000000000000	31-01-101455
O=C(N1C2CC(N(C2)Cc2ccccc2)C1)CCc1nn2c(c1)CNCCC2	PC-id_78085338	379.499	GEMVIALNJLCTLH-UHFFFAOYSA-N	00000010100000110101000000000110000000000000000000000000	31-01-101456
O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)[C@@]12CCCN(CC1)C2	ZINC22_897407246	379.499	PEZSTHBYWPMTAI-QFIPXVFZSA-N	00000010100010110101000000000110000000000000000000000000	31-01-101457
O=C(NCCc1nnc2CCN(C/C=C/c3ccccc3)CCn12)C1CCC1	ZINC22_12100327,CoCoCo_1151750,ChEMBL-DNDi_CHEMBL13679919,EMOLS-id_232706041,PC-id_42407907,CoCoCo_1151748	379.499	JRIMDGUMBQIPDF-VMPITWQZSA-N	00001000100000110101000000000010000000000000000000000000	31-01-101458
c1(NC(=S)Nn2cnnc2)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_1002075,MCULE-6281622080,PC-id_2211557,EMOLS-id_2473039,ZINC22_2858246	379.5	KUEYMSIKPCFETG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101459
CCNC(=NCc1nnc2n1CCCCC2)NCCNC(=O)OC(C)(C)C	PC-id_111884255	379.5	MEXPCQWZWUUGFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101460
CN=C(NCc1nnc2n1CCCCC2)NCCCNC(=O)OC(C)(C)C	PC-id_111886321	379.5	SVSMQXXVVMMOFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101461
CN=C(NCCc1nnc2n1CCCCC2)NCCNC(=O)OC(C)(C)C	PC-id_111884415	379.5	ZXOBANLFNSVBKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101462
s1c2CCCCCc2c(c1NC(=O)CSC1NC(N)CC(=O)N1)C#N	PC-id_78271988	379.5	XEFADVHPHDZMCI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101463
CCNC(=NCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1cccc2	PC-id_110996907	379.502	QXZJVVLPZMJWOH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101464
CN=C(NCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1ccc(c2)C	PC-id_111973580	379.502	KTFRTRYGMDIPMY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101465
CN=C(NCc1nnc2n1CCCCC2)NCCCn1ccc2c1cccc2	PC-id_111341209	379.502	LKBIWMHEZHXSSV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101466
CN=C(NCCc1c[nH]c2c1cccc2)NCCc1nnc2n1CCCCC2	PC-id_110997239	379.502	AYNVXCBURWRQEF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101467
Nc1nsc(n1)N1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111643757	379.504	JCYVBZBSGYVKSM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-101468
OC(=O)Cn1c(C)c(c2c1CCCCC2)CC1CCCC=C1S(=O)(=O)C	SCHEMBL13417155,PC-id_70899956	379.514	UIROPRFDZULZQU-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-101469
CCCC/C(=C/NS(=O)(=O)c1ccc(cc1)C)/c1c2-c(ccccc2)cc1	PC-id_134950662	379.515	DDACWXDWIDNOAI-JZJYNLBNSA-N	00000010100000110110000000000010000000000000000000000000	31-01-101470
CCCCC(=CNS(=O)(=O)c1ccc(cc1)C)c1ccc2-c1ccccc2	PC-id_142734105	379.515	DDACWXDWIDNOAI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-101471
c1(NC(=O)CCC(=O)N2CCCCC2CCO)sc2c(CCCCC2)n1	EMOLS-id_334705382,MCULE-9375595256	379.517	XMZGUOHZJLSEEM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101472
c1(NC(=O)CN2CCN(CC2)CC)sc2c(CCCCC2)c1C(=O)OC	PC-id_6468181,MCULE-1449033535,TIMTEC142512,CoCoCo_1049313,CoCoCo_1049314,EMOLS-id_2292331,ZINC22_20608814,ChEMBL-DNDi_CHEMBL9050144	379.517	FEQSMJPRVSZMQW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101473
c1(NC(=O)CN2CCN(CC2)C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-6070451917,EMOLS-id_2294295,ChEMBL-DNDi_CHEMBL9053162,ZINC22_20168335,CoCoCo_1052181,CoCoCo_1052180,PC-id_6469699	379.517	YJJOEYXVKFWLAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101474
c1(NC(=O)CN2CCN(CC2)C)sc2c(CCCCCC2)c1C(=O)OC	CoCoCo_1045178,ZINC22_20220139,CoCoCo_1045177,MCULE-3259475264,PC-id_6465972,TIMTEC391449,EMOLS-id_2289489	379.517	PWKGYPQQFWSAFW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101475
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)Nc1nc2CCCCCc2s1	PC-id_29331708,EMOLS-id_30242444,ZINC22_21138262,MCULE-3536382982	379.517	HQLRJUSCMJXZAX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101476
CN(CCOC1=C(C)N=c2c(=C(C1)C)c(N)c(s2)C(=O)OC(C)(C)C)C	PC-id_143185979	379.517	LTFFFCWUSZTYKI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-101477
COCCN(CCOC)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_33483915,EMOLS-id_36622283,ZINC22_26228004,MCULE-1080794641	379.517	WJTHPLRNNXEIAF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101478
COCCNC(=O)CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	MCULE-4596353403,CoCoCo_4199485,EMOLS-id_13500049,ZINC22_14170668,PC-id_17459351	379.517	DDUKDLWPCYYPEF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101479
COCC(=O)N1CCCC(C1)NC(=O)c1nc2c(s1)CCC(CC2)CC	PC-id_142213763	379.517	SOJLXFJXBJLIDW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101480
N(c1ccc(/C(=C/2C=CC(=[N+](C)C)C=C2)/c2c3-c(cc2)ccccc3)cc1)(C)C	PC-id_15778695	379.517	ORTLSZMYHVDURE-UHFFFAOYSA-N	00000010100011110110000000000010000000000000000000000000	31-01-101481
O=C(CNC(=O)c1sc2c(c1)CCCCCC2)NCCN1CCOCC1	EMOLS-id_98886840	379.517	IOAYNUIMZFHDTJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101482
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)CC(C)(C)C	PC-id_60566797	379.517	JNZMCVMBAWMPRA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101483
c1(NC(=O)CC(c2ccccc2)Cn2cccc2)sc2c(CCCCC2)n1	MCULE-7692037381,EMOLS-id_323428020	379.518	DMBCLKANSZPTRL-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-101484
CC1CC1c1ccc(o1)CN1CCc2c(CC1)nc(s2)Nc1ccccc1	PC-id_122196539	379.518	YLAZLYWDRKNILS-UHFFFAOYSA-N	00100000101000110101100000000010000000000000000000000000	31-01-101485
Cn1ccnc1[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1	CoCoCo_4310480,PC-id_32462472,ZINC22_25159273	379.518	AGJYRHBCSXAZIT-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101486
Cn1ccnc1[C@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1	ZINC22_25159278,PC-id_32462477,CoCoCo_4310479	379.518	AGJYRHBCSXAZIT-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101487
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc2c(s1)CCCCC2	PC-id_9393296,ZINC22_8265570,EMOLS-id_11759311,MCULE-6316695377,CoCoCo_4258280	379.518	FCQPTCOIPUQBLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101488
n12CCCN(Cc3ccccc3)Cc1ccc2C(=O)NCCc1cccs1	EMOLS-id_317417306,MCULE-2048247546	379.518	ZHKMPKDJJQUCKY-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-101489
N#Cc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1	EMOLS-id_3664232,PC-id_9459915,CoCoCo_3287536,ZINC22_23762736,MCULE-3452442528	379.518	NBRGCYHRCYNDCN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101490
N#CC(c1ccccc1)N1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	PC-id_112800715	379.518	HUEMFLSFBBOFFV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101491
O=C(c1sc2c(c1)CCCCCC2)NC(c1nccn1C)c1ccccc1	EMOLS-id_24975578,MCULE-6096008180,PC-id_24625589	379.518	AGJYRHBCSXAZIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101492
O=C(NCc1ccccc1Cn1ccnc1)c1cc2c(s1)CCCCCC2	CoCoCo_4422704,PC-id_40093902,EMOLS-id_44017197,ZINC22_32860014,MCULE-5557666723	379.518	ABMXGSZDPSAMEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101493
s1c2c(CCCCC2)cc1C(=O)N1CCCN(CC1)c1ccc(cc1)C#N	PC-id_55716048	379.518	OLDUEJXNBMVHOT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101494
s1c2CCCCCc2c(c1NC(=O)[C@H](Nc1cc2CCCc2cc1)C)C#N	PC-id_29956597	379.518	ARKVIXFPOMAEHK-CQSZACIVSA-N	00000010100000100100000000001010000000000000000000000000	31-01-101495
s1c2CCCCCc2c(c1NC(=O)[C@@H](Nc1cc2CCCc2cc1)C)C#N	PC-id_29956598	379.518	ARKVIXFPOMAEHK-AWEZNQCLSA-N	00000010100000100100000000001010000000000000000000000000	31-01-101496
s1c2c(CCCCC2)c(c1NC(=O)CN(C1CC1)Cc1ccccc1)C#N	PC-id_32432081	379.518	UBEFHVGFCAICQM-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-101497
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc2CCCc2cc1)C)C#N	PC-id_43036290	379.518	ARKVIXFPOMAEHK-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-101498
s1c2c(CCCCCC2)c(c1NC(=O)CN1C(Cc2c1cccc2)C)C#N	PC-id_22199963	379.518	LKKGHQYMGNZFBK-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-101499
CCS(=O)(=O)NCCC1CN(Cc2cc(C)nn2C)Cc2cccn2C1	EMOLS-id_313837858	379.52	ZOTCHDMGJMAYFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101500
CCS(=O)(=O)NCC[C@H]1CN(Cc2cc(C)nn2C)Cc2cccn2C1	ZINC22_585095593	379.52	ZOTCHDMGJMAYFE-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101501
CCS(=O)(=O)NCC[C@@H]1CN(Cc2cc(C)nn2C)Cc2cccn2C1	ZINC22_585095594	379.52	ZOTCHDMGJMAYFE-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101502
CN1CCN(CC1)C(=O)CCNC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098604	379.52	LKTNAGSGAZWIMI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101503
CSCC[C@@H](C(=O)NCc1nn2c(c1)CN(CCC2)C(=O)C1CCC1)N	MCULE-5644687064,PC-id_72886074,EMOLS-id_46060075	379.52	STHAHMRNGOQVEL-INIZCTEOSA-N	00001000100000000101000000000010000000000000000000000000	31-01-101504
NCCNC(=O)C1CCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101825214	379.52	CWTDZIUILLJPBZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101505
NC(=O)c1c(NC(=S)NC(=O)c2cccs2)sc2c1CCCCC2	PC-id_20166102,ZINC22_32125238	379.52	FMMQENCKPKNMDE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-101506
O=C(N1CCN(CC1)C(C(=O)N)(C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101100974	379.52	QMTXUJTUWOMZCE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101507
Cc1ccc(cc1)Cn1nc(c(c1C)C[NH2+]Cc1nnc2n1CCCCC2)C	PC-id_51923568,GD-id_ZINC39979612	379.522	MGBSJSMVPPDDES-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-101508
CN=CNc1c(C#N)c2n(c1C=S)CCN(CC2C)CC1=CC=CC=CC1	PC-id_142275950	379.522	UKBBCVVSXQPSPY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-101509
c1(NC(=O)CSc2nnc(N)s2)sc2c(CCCCCC2)c1C#N	ZINC22_4649089,SPECS-id_AN-919/41439911,CoCoCo_6950335,MCULE-4319260205,EMOLS-id_8270227,PC-id_5219982	379.523	NXTSAQKPPZNSSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101510
C[C@H](Sc1nnc(N)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_8313076,CoCoCo_4171272,PC-id_9438475	379.523	QHOXYFFAYRRCCH-QMMMGPOBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101511
C[C@@H](Sc1nnc(N)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_8313078,CoCoCo_4171273,PC-id_9438477	379.523	QHOXYFFAYRRCCH-MRVPVSSYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101512
COC(=O)c1cn(c2c1C(=CCCC2)O[Si](C)(C)C)C(=O)OC(C)(C)C	PC-id_139982932	379.523	BCUDOJHBYKOTHN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-101513
N#Cc1c(NC(=O)C(Sc2nnc(s2)N)C)sc2c1CCCCC2	EMOLS-id_11764056,MCULE-7078988942,PC-id_16328071	379.523	QHOXYFFAYRRCCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101514
O=C(NC1CCn2c(CC1)nnn2)NCC1(CCCC1)N1CCSCC1	EMOLS-id_102170126	379.523	YQQAVCDBROONLQ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-101515
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCCCC1)C(=O)OCC	PC-id_4160572	379.537	SZHIARXWUKVIIW-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-101516
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCCCCC1)C(=O)OCC	PC-id_2055009	379.537	NTIAQUURGLKSBX-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-101517
s1c(NC(=O)C[N+](C2CCCC2)(C)C)c(c2c1CCCCC2)C(=O)OC	PC-id_8875586	379.537	RXGNZUYIRZILFJ-UHFFFAOYSA-O	00000010100000000100000000000010000000000000000000000000	31-01-101518
CC(C1CCCCC1)NC(=O)c1nn(c2c1CCCCC2)Cc1ccccc1	PC-id_90843670	379.538	BZXOXHYNJYGBTO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101519
C[C@@H](C1CCCCC1)NC(=O)c1nn(c2c1CCCCC2)Cc1ccccc1	PC-id_66647522,SCHEMBL300505	379.538	BZXOXHYNJYGBTO-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101520
CCN(C(=O)CSCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC	PC-id_112763449	379.54	BKBGOHNNPQJPPF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101521
CCSC(c1noc(n1)CN(C(=O)c1cc2c(s1)CCCCC2)C)C	EMOLS-id_97730448	379.54	KPFDHFWVDFLCAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101522
N#Cc1c(NC(=O)CN2CC(C)S(=O)C(C2)C)sc2c1CCCCC2	EMOLS-id_100442811	379.54	FDJVHVAQCDKBRJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101523
N#Cc1c(NC(=O)CN2CCS(=O)CC2(C)C)sc2c1CCCCC2	EMOLS-id_100052268	379.54	HWWSBUGJDYZFLG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101524
N#Cc1c(NC(=O)CSCCN2CCOCC2)sc2c1CCCCC2	EMOLS-id_98785736	379.54	OUZFITPHSKDXLN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101525
OCC1CSCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_99329413	379.54	YUDLJMMWCXEYMP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101526
O=S(=O)(NCCC1CN(Cc2ccsc2)Cc2cccn2C1)C1CC1	EMOLS-id_313837346	379.54	AUELOPWJHKIVPX-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-101527
O=S(=O)(NCC[C@H]1CN(Cc2ccsc2)Cc2cccn2C1)C1CC1	ZINC22_585095037	379.54	AUELOPWJHKIVPX-HNNXBMFYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-101528
O=S(=O)(NCC[C@@H]1CN(Cc2ccsc2)Cc2cccn2C1)C1CC1	ZINC22_585095038	379.54	AUELOPWJHKIVPX-OAHLLOKOSA-N	00100000100100000101000000000010000000000000000000000000	31-01-101529
c12CN(CCCn1nc(CN1CCCN(C)CC1)c2)CC=Cc1ccccc1	PC-id_72075698,MCULE-4043575288	379.542	SOQWRZDLQSPOIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101530
CC(CN(C1=CCC=c2c(=N1)n(C)c(n2)Nc1ccc(cc1)C)CC(C)C)C	PC-id_142949956	379.542	IXIABECSOQYCAH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-101531
s1c2c(CCCCCC2)c(c1NC(=O)CCCCCCC)C(=O)OCC	PC-id_4559610	379.557	MMMQJQWSWHDJNW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101553
CN1CCCN(Cc2cc3CN(C/C=C/c4ccccc4)CCCn3n2)CC1	EMOLS-id_44856410,ZINC22_72161086,PC-id_56898425	379.542	SOQWRZDLQSPOIK-BJMVGYQFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101532
S=c1n(nc2n1CCCCC2)C[N@@H+](C(c1ccccc1)c1ccccc1)C	GD-id_ZINC14198065	379.542	BIIPSSKCWJPNMA-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-101533
c1(CN(C)C(=O)NCc2csc(CSC)n2)c2CCCCCc2[nH]n1	MCULE-9033645542,ZINC22_584885499,EMOLS-id_177367975	379.543	SEWDFUGLVDIABE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101534
CC1CN=C(S1)N1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_102558907	379.543	XWIVPNSNUNFUBX-UHFFFAOYSA-N	00000011100010000101100000000010000000000000000000000000	31-01-101535
COCCCN(CCN=C(NCCc1nnc2n1CCCCC2)NCC)C	PC-id_111651026	379.543	PADHQSNTQFJYCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101536
COCCCN(CCNC(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111652738	379.543	ZYTSCCHLNHKQCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101537
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1scnn1	PC-id_30377159	379.543	YUHGNMAWZPQTAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101538
c1(c2CCCCCc2sc1NC(=O)C(CCCC)CC)C(=O)OC(C)C	TIMTEC288192,PC-id_3552176,EMOLS-id_4057210,MCULE-5656823390	379.557	LLBFHCQBAWVNIF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101539
c1(NC(=O)C(CCCC)CC)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_4544962,EMOLS-id_4057204,TIMTEC335692,SPECS-id_AK-968/12346594,MCULE-1391630509	379.557	NMDRGQXRJFBXFE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101540
c1(NC(=O)C(C)C)sc2c(CCCCCCCCCC2)c1C(=O)OCC	STOCK2S-97705,EMOLS-id_3738368,SPECS-id_AE-848/13424268,ZINC22_4154537,MCULE-1712625250,TIMTEC21550,PC-id_3681566,CoCoCo_6876976	379.557	UUDMLVFYRNRSEF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101541
c1(NC(=O)CCC)sc2c(CCCCCCCCCC2)c1C(=O)OCC	STOCK3S-10023,SPECS-id_AE-848/13424267,ZINC22_4154536,MCULE-3062770055,CoCoCo_6876975,EMOLS-id_3738366,PC-id_4366565	379.557	IWRCDSFDBJFZLX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101542
CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(=O)OCC)CCCCCC2	ZINC22_5793049,PC-id_7801530,CoCoCo_6256026	379.557	NMDRGQXRJFBXFE-OAHLLOKOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101543
CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(=O)OCC)CCCCCC2	ZINC22_5793161,CoCoCo_6256027,PC-id_7801538	379.557	NMDRGQXRJFBXFE-HNNXBMFYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101544
CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2	ZINC22_6042832,PC-id_40579383,CoCoCo_6813254	379.557	LLBFHCQBAWVNIF-OAHLLOKOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101545
CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2	ZINC22_6043018,PC-id_40579398,CoCoCo_6813253	379.557	LLBFHCQBAWVNIF-HNNXBMFYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101546
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCCC)C(=O)OC	PC-id_4444923	379.557	VOJXSTVFDWCSMR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101547
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCC)C(=O)OCC	PC-id_3647113	379.557	NRMXMQUSDTXOMU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101548
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCC)C(=O)OCCC	PC-id_3646124	379.557	XFOAGRNXEWTZKB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101549
s1c2c(CCCCC2)c(c1NC(=O)C(CCCC)CC)C(=O)OCCC	PC-id_4520660	379.557	KXBFPUQMCRHPGO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101550
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCC)C(=O)OC(C)C	PC-id_4581600	379.557	WOUAEJCVEFJBBH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101551
c1(NC(=O)CCC(=O)N(CCCC)CCCC)sc2c(CCCCC2)n1	EMOLS-id_334721002,MCULE-6271210784	379.56	WQNWOYCYMZXKSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101554
c1(NC(=O)CCC(=O)NCCCCCCCC)sc2c(CCCCC2)n1	MCULE-3659268216,EMOLS-id_334975853	379.56	HNOCTSVMYGISHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101555
c1(NC(=O)CCC(=O)NC(CCCCC)CC)sc2c(CCCCC2)n1	MCULE-6867854314,EMOLS-id_334965094	379.56	YYZPZXQMZUQBFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101556
s1c2CCCCCCCCCCc2nc1NC(=O)CNCC1OCCC1	PC-id_43904243	379.56	OSRXHCZZHDHXHF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-101557
CC(CN1CCN(CC1)C)CNC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101106528	379.563	ZRUQDHZZBASUAS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101558
CC[NH+]([C@H](CC(C)C)CNC(=O)NCCc1nnc2n1CCCCC2)CC	GD-id_ZINC45383982	379.563	ZHTRWZFBVHUGGJ-QGZVFWFLSA-O	00000000100000000101000000000010000000000000000000000000	31-01-101559
CN1CCN(CC1)CCC(NC(=O)Nc1nc2c(s1)CCCCC2)(C)C	EMOLS-id_100073265	379.563	RJCJQTQAURECJI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101560
CN1CCN(CC1)CCC(NC(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_101103860	379.563	IOTJLYIBSCFMQZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101561
O=C(Nc1sc2c(n1)CCCCCC2)NCCN1CCN(C(C1)(C)C)C	EMOLS-id_101098361	379.563	PALNKQXFYBCZNS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101562
O=C(N(CC[NH+](CC)CC)CC(C)C)NCCc1n2CCCCCc2nn1	PC-id_52215996	379.563	UMDBUYUFGKRWMZ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-101563
s1c2CCCCCc2c(c1NC(=O)CSC(=S)N1CCCC1)C#N	PC-id_27199521	379.563	QLHHQDIJSUQNPF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-101564
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)Cc1nc(sc1)C	PC-id_37300235	379.566	XLNWLSGPMZTLCY-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-101565
S1CC(N(CC2OCCC2)C(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_55613498	379.58	MDAPRMNTHWORGX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-101566
CC(c1ccc(c2-c(c1)c(C)cc2C(=NCCC1CCNCC1)N(C)C)C)C	PC-id_139705190	379.581	BEVKQCDPIAHINX-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-101567
s1c2c(CCCCCC2)cc1C(=O)N(CCCN(C)C)CCCN(C)C	PC-id_60520342	379.603	VLOIBFGCCIRDEO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101568
Clc1cccc(c1S(=O)(=O)N1CCCc2c(C1)cco2)C(F)(F)F	EMOLS-id_99299305	379.782	JONSYUFGSOZEFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101569
c12n(Cc3ccccc3)cnc1c(=O)[nH]c(Nc1ccc(cc1)Cl)nc2=O	PC-id_29212794,CoCoCo_1319331,ZINC22_20909686,MCULE-5536349743,EMOLS-id_23815318	379.8	TUHXQZXFFGSPRM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-101570
C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(Cl)ccc1OCC(=O)O)C2	ZINC22_218905722,PC-id_100029430	379.838	ZOHVZLSWLRPDRV-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101571
C[C@H](O)c1cc2n(n1)CCCN(Cc1cc(Cl)ccc1OCC(=O)O)C2	ZINC22_218905808,PC-id_100029432	379.838	ZOHVZLSWLRPDRV-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101572
CC(O)c1cc2CN(Cc3cc(Cl)ccc3OCC(=O)O)CCCn2n1	PC-id_90648283,MCULE-6770741597,EMOLS-id_50529283	379.838	ZOHVZLSWLRPDRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101573
c1(NC(=O)COc2ccccc2Cl)sc2c(CCCCC2)c1C(=O)O	MCULE-2821265955,PC-id_28860475,EMOLS-id_179129711	379.858	OBNIINZFPMSDDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101574
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)O	PC-id_28860426,EMOLS-id_179129657,MCULE-2880405998	379.858	RJECZIDWWYQSHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101575
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(cc1F)Cl	PC-id_70766336,EMOLS-id_44445015,MCULE-5155789875,ZINC22_82137346	379.86	VREPKIKJVLUONR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101576
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cccc(Cl)c1F	ZINC22_82160699,EMOLS-id_44450619,MCULE-9118706373,PC-id_70782418	379.86	JUUGVMAYEXWEPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101577
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(c(F)c1)Cl	PC-id_70772388,ZINC22_82139955,MCULE-8265467280,EMOLS-id_44447099	379.86	TXEHMRXNQGKWGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101578
Clc1c(CN(C(=O)NCCc2n3CCCCCc3nn2)C)c(F)ccc1	PC-id_52220579	379.86	NXMYIWBPTXTBIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101579
Fc1c(Cl)ccc(c1N1CCOCC1)NCc1nnc2n1CCCCC2	EMOLS-id_318072161	379.86	BDQVHXRMZDKBEB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-101580
Fc1cc(NCc2nnc3n2CCCCC3)c(cc1Cl)N1CCOCC1	EMOLS-id_318206557	379.86	YALZMSGBRAXGKP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-101581
CC(C)(C(=O)Nc1nc2c(s1)C(=O)NCCC2)Oc1ccc(cc1)Cl	PC-id_90625379	379.861	WLNFAEHCTBSVBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101582
COCC(=O)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1	EMOLS-id_313791548,ZINC22_2055785091	379.861	CPYRGIWXIVGYLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101583
Clc1ccc(C(=O)NNC(=O)CSc2n3CCCCCc3nn2)cc1	PC-id_7876987	379.864	QFCGFYZRQQFYII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101584
c12CN(CCCn1nc(CO)c2)Cc1cc(OCC)c(c(Cl)c1)OCC	PC-id_90652579,EMOLS-id_50545069,MCULE-5770226076,ZINC22_221317407	379.881	AUPIPEGOYQYRBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101585
CCCCCCOc1nc2c(n1Cc1ccc(cc1)Cl)COOCN2C	SCHEMBL16363871,PC-id_117793865	379.881	MJXLBEJQIRKTLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101586
CCOc1cc(CN2CCCn3nc(cc3C2)C(C)O)c(Cl)cc1OC	PC-id_90649549,MCULE-6142968234,EMOLS-id_50533981	379.881	AWFTWLWZDXQXOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101587
CCOc1cc(CN2CCCn3nc([C@@H](C)O)cc3C2)c(Cl)cc1OC	ZINC22_219833092,PC-id_100048108	379.881	AWFTWLWZDXQXOY-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101588
CCOc1cc(CN2CCCn3nc([C@H](C)O)cc3C2)c(Cl)cc1OC	ZINC22_219833150,PC-id_100048110	379.881	AWFTWLWZDXQXOY-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101589
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1ccc(s1)Cl)C)C	SCHEMBL11198972,PC-id_20484135	379.901	JSLJALAAFMWHQW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-101590
CC(OC(=O)C1CCCCn2c1cc(c2C(=O)c1scc(c1)Cl)C)C	PC-id_20483982,SCHEMBL11201303	379.901	ABYJUTSCYPJWSQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-101591
Clc1cc(CNc2sc3c(CCCCC3)c2C(=O)OCC)c(O)cc1	PC-id_24157326	379.901	WABZIOGODPVJLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101592
Clc1c(NC(=O)CN(Cn2nc3n(CCCCC3)c2=S)C)cccc1	PC-id_8222298	379.907	HPKYGUDVTFIHJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101593
Clc1cnn(c1)C1CCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99563935	379.907	YFQGYXMJJKQEJP-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-101594
O=C(NCCSc1ccc(Cl)cc1)NCc1nnc2n1CCCCC2	PC-id_40034918,EMOLS-id_25668173,ZINC22_32801961,MCULE-3565293585,CoCoCo_4790761	379.907	XVXNEFMESIERHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101595
CCC(N(CCN(C)C)C=O)CCN(C1=c2cn[nH]c2=CCC(=C1)Cl)C	PC-id_145076017	379.927	MFHWEFKBLKRJDT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-101596
Clc1ccc(NC(=S)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_8726765	379.927	PIGRCUHSEYXDLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101597
Ic1c2-c(c(I)c1)ccccc2	MCULE-6645851291,EMOLS-id_68864234,PC-id_11326464,CT-id_2205588,2205588_OpenMolecule	379.964	GELXYHZWBQWZIT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-101598
[B](N)OC1COC2=C(SC(=C2OC1)C(C)(C)I)C	PC-id_153034490	379.999	HFFSOMPIEKHZLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101599
Brc1c2C(COCC)C(=O)CNC(=O)c2[nH]c1Br	SCHEMBL13042355,PC-id_70824290	380.033	VLTOKUKTBJGTEW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101600
CC1=Nc2c(c(nn2CCCNCC1)C)S(=O)(=O)c1cc(ccc1)Cl	PC-id_163752759	380.107	LRLIUSCEFMFWCC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-101601
C[C@H]1C=CC2=C(N(C=C2S(=NC)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_154991367	380.112	YVHOPZIFKRANLQ-IGJPIEKJSA-N	00000000100000110111000000000010000000000000000000000000	31-01-101602
C1CC2=C(CCC1C(=O)CO)SC(=C2C#N)NC(=O)/C=C/C3=CC=CC=C3	PC-id_164131908	380.119	YOMPVYRCVHGSFA-IZZDOVSWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101603
[se]1c2SCCCSc2[se]c1=[SeH]	PC-id_10894178	380.13	IUROXWKNRMMFGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101604
COC(=O)C(C1=CC=CC=C1)C2=CC(=C3C2=CC=CC=C3)C(=O)C4=CC=CC=C4	PC-id_150466024	380.141	HQUHBFWPOHLWHT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-101605
COCC1=CC=CC(=C1)CN(CC2=NN=C3N2CCOCC3)S(=O)(=O)C	MCULE-9303190402,EMOLS-id_317360660,PC-id_154772190	380.152	XNWVNXVZFVXKHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101606
C1CCN(C2=C(C1)SC=C2)C(=O)C3=CC=C(C=C3)C4(CCC=CC4)C(=O)N	PC-id_153898179	380.156	RNVRSKABQHAIHL-UHFFFAOYSA-N	00000000100011110100100000000010000000000000000000000000	31-01-101607
CN1C2=CC=NN2C=C[C@@H](C1=O)NC(=O)C3=NC=C4COC5(C4=N3)CCCC5	PC-id_154021362	380.16	MYOAWEZKYCKGKL-ZDUSSCGKSA-N	00000010100000100111000000000010000000000000000000000000	31-01-101608
C1=CC=C2C=C(C=C2C=C1)CC3=CC(=CC=C3)C4[C@@H]([C@H]([C@@H](C(O4)CO)O)O)O	PC-id_149597951	380.162	ZZEANMDBFVJFJU-SSHHQQQNSA-N	00000010100010110110100000000010000000000000000000000000	31-01-101609
C1=CC=C2C=C(C=C2C=C1)CC3=CC(=CC=C3)[C@H]4[C@@H](C([C@@H](C(O4)CO)O)O)O	PC-id_165111232	380.162	ZZEANMDBFVJFJU-GUFMVXCRSA-N	00000010100010110110100000000010000000000000000000000000	31-01-101610
C1=CC=C2C=C(C=C2C=C1)CC3=CC(=CC=C3)[C@H]4[C@@H]([C@H]([C@@H](C(O4)CO)O)O)O	PC-id_149597949	380.162	ZZEANMDBFVJFJU-NQNKTMCVSA-N	00000010100010110110100000000010000000000000000000000000	31-01-101611
CN1C(=O)N2CC[C@H](CCC2=N1)N(C)CC3=C(C(=C(C=C3)OC)OC)Cl	PC-id_164635123	380.162	PXOMYVXQAFZANV-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101612
CN(C)CC1=C2C(=C(C=C1)CNC3CCC4=NN=NN4CC3)OC(O2)(F)F	EMOLS-id_319358274,PC-id_154789842	380.177	MMFWAUICCTYTQP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101613
Brc1c2sc(CCCCCCCCCC2)c1Br	PC-id_10643473	380.182	VTMLMERQOHMVGI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101614
Brc1ccc2-c(c(c(NC(=O)C)c2C(=O)OC)C(=O)OC)cc1	PC-id_85628693	380.19	LGBWWNLNOPKFTA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-101615
O=C(c1cc(Br)c2c(c1)OCO2)NC1CCn2c(CC1)nnn2	EMOLS-id_102162715	380.197	LMXCBATZITWCNW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101616
CCCC1C=c2onc(c2=CC=C1OCCCBr)C(F)(F)F	PC-id_143505387	380.2	NRXYHEOIIPQBAO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-101617
C1CCC2=NN=C(N2CC1)C(=O)N3[C@@H]4CC[C@H]3[C@@](C4)(CC5=CC=CC=C5)CO	PC-id_164691518,MCULE-8733116890	380.221	OFSJXQGZYITQSA-KGVIQGDOSA-N	00000010100010110101000000000110000000000000000000000000	31-01-101618
C1CCCC2=NSC(=O)N2CCCCNC(=O)NCCCC/C=CCC1	PC-id_148650404	380.225	NLUQFIZFXGZCJW-RQOWECAXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-101619
Fc1cc(Cl)c(c(c1)Cl)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028586	380.225	MZBMJRLUWMKGBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101620
COc1ncc(cc1CNC(=O)C1CCn2c(CC1)nnc2)Br	MCULE-8054488235,EMOLS-id_319964490	380.24	KVPJPAFGHQZFBQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101621
FCCOC1=Cc2cc([nH]c2CC=C1Br)C/C(=C/N(C)C)/C#N	PC-id_145211128	380.255	CBKHQNOWRCRACQ-QXMHVHEDSA-N	00000000100000000110000000000010000000000000000000000000	31-01-101622
Brc1ccc(c(c1)F)C1CC(C1)NC1CCn2c(CC1)nnn2	EMOLS-id_102002622	380.258	KPCSVMCKRZPGTK-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-101623
Brc1ccc(s1)c1noc(n1)CN1CCCc2c(C1)cco2	EMOLS-id_99341833	380.26	JEWUHJJMSJZGOR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-101624
Brc1csc(c1)c1noc(n1)CN1CCCc2c(C1)cco2	EMOLS-id_99343132	380.26	YSSFRYAXCKDKJP-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-101625
Ic1ccc(Cn2cc3C(NC)CCCCc3c2)cc1	PC-id_83208985	380.267	DQEVSJZHHFEXCD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101626
C/C=CC=C(/C=C)C1CCCCN2C1=NC(=N2)NCCCCN3C=C(N=C3)C	PC-id_155171599	380.269	XJLAGMBWPBVFHT-HDPPBIOQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101627
Clc1cccc(c1C1(CCC1)C(=O)NC1CCn2c(CC1)nnn2)Cl	EMOLS-id_102177959	380.272	DDXYQCHDJDZJOK-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-101628
Clc1cc(ccc1Cl)C1(CCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102182547	380.272	RBZYMRLFNVFIHT-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-101629
Clc1cc(NC(=O)Nc2sc3CCCCCc3c2C#N)ccc1Cl	PC-id_3352513	380.292	UKJLCODXWKMORE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101630
Brc1ccc(cc1)/C(=C(Sc1nnc2n1CCCCC2)/C)/O	CoCoCo_3081860,CoCoCo_3081863	380.303	FZVROUDPHVIDPN-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101631
Brc1ccc(cc1)/C(=C(/Sc1nnc2n1CCCCC2)C)/O	CoCoCo_3081862,CoCoCo_3081861	380.303	FZVROUDPHVIDPN-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101632
Brc1ccc(cc1)C(=O)C(Sc1nnc2n1CCCCC2)C	PC-id_17405691,MCULE-3957003952,EMOLS-id_13433328	380.303	NYPYXOKMLVKQQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101633
Brc1ccccc1NC(=O)Nc1nc2CCCCCCc2s1	CoCoCo_2552432,PC-id_20966650,EMOLS-id_16329884,MCULE-1526527888	380.303	KEZSQZQSHLIPEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101634
Brc1cccc(NC(=O)Nc2nc3CCCCCCc3s2)c1	CoCoCo_2552434,EMOLS-id_16329888,PC-id_16028948,MCULE-5431450891	380.303	KQZZGUSOUSXCCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101635
Brc1ccc(NC(=O)Nc2nc3CCCCCCc3s2)cc1	MCULE-1813099885,EMOLS-id_16329894,ZINC22_8609749,PC-id_16028950,CoCoCo_2552437	380.303	GCOIHUYVYBJGBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101636
C[C@H](Sc1nnc2n1CCCCC2)C(=O)c1ccc(Br)cc1	PC-id_7877137,ZINC22_6097791,CoCoCo_3081859	380.303	NYPYXOKMLVKQQE-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-101637
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)c1ccc(Br)cc1	ZINC22_6097793,CoCoCo_3081858,PC-id_7877139	380.303	NYPYXOKMLVKQQE-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101638
COc1ccc(cc1Br)C[NH2+][C@@H](c1nnc2n1CCCCC2)C	GD-id_ZINC43926462	380.303	FXLICCHUPPPWPX-GFCCVEGCSA-O	00000000100000110101000000000010000000000000000000000000	31-01-101639
COc1ccc(cc1C[NH2+][C@H](c1nnc2n1CCCCC2)C)Br	GD-id_ZINC43926427	380.303	WJDPKGDVAGTWHV-LBPRGKRZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-101640
COc1ccc(cc1C[NH2+][C@@H](c1nnc2n1CCCCC2)C)Br	GD-id_ZINC43926430	380.303	WJDPKGDVAGTWHV-GFCCVEGCSA-O	00000000100000110101000000000010000000000000000000000000	31-01-101641
CCC(CC)(C(=O)N1CCCc2occc2C1)c1ccc(Cl)c(Cl)c1	ZINC22_2325825066	380.308	BVGKFNQSIQUGEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101642
CCOC(=O)c1n(Cc2ccc(c(c2)Cl)Cl)c2c(c1C)CCCCC2	SCHEMBL7954271,PC-id_9821209	380.308	XPOBJIOOXJSLJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101643
O=C(N[C@@H]1CNCc2nccn2C1)c1n[nH]c2cc(OC(F)(F)F)ccc12	ZINC22_2325786574	380.325	YTTYRRFSGNKVEA-SECBINFHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101644
O=C(N[C@H]1CNCc2nccn2C1)c1n[nH]c2cc(OC(F)(F)F)ccc12	ZINC22_2325786575	380.325	YTTYRRFSGNKVEA-VIFPVBQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-101645
CCCCCCCCCCCCCCCCCCC1=CC=CC2=CC=CC2=C1	PC-id_154325679	380.344	SGLMICFENWVZRM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-101646
c12CN(CCCn1nc(CNC(=O)c1cccc(c1)C(F)(F)F)c2)C(=O)C	ZINC22_82097690,MCULE-8740142243,EMOLS-id_44429067,PC-id_70720749	380.364	HNFXBURRZNYTLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101647
FC(F)(F)Oc1ccc(C=CC(=O)NCc2n3CCCCCc3nn2)cc1	MCULE-6354955560,PC-id_72056290,EMOLS-id_29658365	380.364	MOVNZUXQNSOQGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101648
O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCc1nnc2n1CCCCC2	CoCoCo_4625740,PC-id_45866980,ZINC22_40043344	380.364	MOVNZUXQNSOQGM-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101649
O=C(Cn1nc2n(c1=O)CCCCC2)N1CCc2c1cccc2C(F)(F)F	ZINC22_252522826,MCULE-1606784527,EMOLS-id_75975983,PC-id_119043547	380.364	BEWXRWUHNRDCHH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101650
O=C(NCc1nnc2n1CCCCC2)/C=Cc1ccc(cc1)OC(F)(F)F	CoCoCo_4625741	380.364	MOVNZUXQNSOQGM-YFHOEESVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101651
O=C(N1CC(C1)c1cccc(c1)C(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102106988	380.368	RDJDXELQYRKMGW-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-101652
Cc1nc2nc(nn2c(c1)N(Cc1nnc2n1CCCCC2)C)C(F)(F)F	PC-id_40165029,CoCoCo_4892550	380.371	IGPYIGLMBHOSHB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101653
CCOP(=O)(CON(C(=O)Cc1ccc2-c(cc1)cc(c2)N)C)OCC	PC-id_141055248	380.375	MYGWSZRAQULNQT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-101654
C1Cn2c(c(nn2)C(=O)Nc2cnccc2)CN(C1=O)Cc1ccccc1F	PC-id_134810756	380.376	JWYRTIRBPQYDAE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-101655
O=S(=O)(Nc1nc2c(s1)CCCCC2)c1c(F)c(F)cc(F)c1F	PC-id_99800700,ZINC22_170617488,EMOLS-id_50574979,MCULE-3012813743	380.381	ACSMCNXSHUHAKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101656
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc2c(c1)nc([nH]2)C(F)(F)F	MCULE-3461116699,EMOLS-id_323394104	380.387	PGGXJQZBSKEDRH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101657
COc1cc(ccc1OC(F)F)CN(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319447866	380.389	MNCICSOUIXADNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101658
COCCn1nc2n(c1=O)CCC(CC2)CC(=O)Nc1ccc(cc1F)F	MCULE-3529139894,EMOLS-id_207877337	380.389	IOXHXXDHEBFJBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101659
FC(F)Oc1c(OC)cc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51304468	380.389	AZLGLDBOMSPLFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101660
CCOC(=O)c1cn(C)c2c1C(=O)[C@H](C(=O)OCC)CCN2C(=O)OCC	NSC303246,PC-id_92269972,CoCoCo_5587933,ZINC22_5575221	380.392	XGLGRPXTVFKPSY-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101661
CCOC(=O)c1cn(C)c2c1C(=O)[C@@H](C(=O)OCC)CCN2C(=O)OCC	ZINC22_1567282,CoCoCo_5587934,PC-id_92145686	380.392	XGLGRPXTVFKPSY-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-101662
o1c(=O)c(C(c2c3-c(oc2=O)ccccc3)c2ccccc2)c2-c1ccccc2	PC-id_10786016	380.392	VCDVIQJPHIHWSQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-101663
O=C1C(CCN(c2n(cc(c12)C(=O)OCC)C)C(=O)OCC)C(=O)OCC	PC-id_327566	380.392	XGLGRPXTVFKPSY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101664
OC1=C(CN(Cc2n(cc(c12)C(=O)OCC)C)C(=O)OCC)C(=O)OCC	PC-id_54679647	380.392	FYJNUNPYUQBRPJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-101665
OC(=O)c1ccc2-c(cc1)c(cc2C(=O)c1ccccc1)C(=O)c1ccccc1	PC-id_145979926	380.392	ZWHRVBXXCAZNDE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-101666
COC1C=Cc2c(C(=C1)C#C)n[nH]c2C(=O)c1cc(OC)c(c(c1)OC)OC	PC-id_143234556	380.394	APWPBWZRQXQPRW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-101667
OCC1(C)COc2c(S(=O)(=O)N1)c[nH]c2CNc1ccc(c(c1)C#N)F	PC-id_139471358,SCHEMBL21337356	380.394	RIRGMIMGZWCGGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101668
O=C(c1noc2c1CCCCC2)Nc1cccc(c1)n1ncc(c1C)C(=O)O	MCULE-8917995812,EMOLS-id_72452844,PC-id_121870350	380.397	FRMGUPJCYHUBND-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101669
O=C(N1CCN(CC1)C(=O)c1nc2c(o1)C=CCC=CC2)Oc1cccnc1	PC-id_143986414	380.397	MVYYZYFOGIIBOB-UHFFFAOYSA-N	00000000100010101111000000000010000000000000000000000000	31-01-101670
OC(=O)c1ccn(n1)c1cccc(c1)CNC(=O)c1noc2c1CCCCC2	PC-id_120629594,EMOLS-id_72206147,MCULE-3337529881	380.397	PXYUOXDETZTHKM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101671
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1cc2c(cc1)oc(=O)[nH]2	PC-id_90625670	380.399	GLQGRSRTSSCLJJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101672
C1CC(=O)N(C1)CCCNC(=O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965953,PC-id_89580294	380.399	LPOBLVDLHLYPRZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-101673
O(C(=O)c1c2-c(c(c1)C(=C(C#N)C#N)C=C(C#N)C#N)cccc(C(C)C)c2)C	PC-id_73294624	380.399	MBAUFPQAHCBGCX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-101674
Cc1cn2c(c1)N(C)C(=O)[C@H](CO2)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19224534	380.4	WNWWSOYUOSONAR-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101675
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccccc1n1cncn1	MCULE-9895730924,EMOLS-id_46602134,ZINC22_95354291,PC-id_72842965	380.401	MIRYCOGVZOLMPU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101676
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(cc1)n1cnnc1	PC-id_56881855,EMOLS-id_43056316,ZINC22_72407309,MCULE-8529902349	380.401	PFTGHFOTKZPRJB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101677
c12C(=O)NCC(O)Cn1nc(C(=O)NCc1cnn(c3cccc(C)c3)c1)c2	MCULE-4063171419,EMOLS-id_82723343,PC-id_119067374	380.401	GWSOYAXQWFTXKH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101678
c1(C(=O)N2CCCn3c(cc(n3)C(=O)OC)C2)n[nH]c(N)c1c1ccccc1	EMOLS-id_32368546,PC-id_50948463,MCULE-5209277854,ZINC22_67649096	380.401	ICJQEGJENODCLX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101679
c1(C(=O)Nc2ccccc2)cc2n(CCCN(C(=O)C3=NNC(=O)CC3)C2)n1	EMOLS-id_32430962,MCULE-7041011326,ZINC22_65507960,PC-id_50981376	380.401	NHLFFOLCXLFKHY-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-101680
Cc1cccc(n2cc(CNC(=O)c3cc4n(n3)C[C@@H](O)CNC4=O)cn2)c1	ZINC22_426527705	380.401	GWSOYAXQWFTXKH-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101681
Cc1cccc(n2cc(CNC(=O)c3cc4n(n3)C[C@H](O)CNC4=O)cn2)c1	ZINC22_426527708	380.401	GWSOYAXQWFTXKH-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101682
COc1cccc(c1)C(=O)N1CCc2nnc(COc3cncnc3)n2CC1	ZINC22_96084599,EMOLS-id_46182203,PC-id_97405422	380.401	UTESNGLDKPDYKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101683
FC(F)(F)C(=O)OC1CC(=Cc2oc(CC(CCC#C1)C(=C)C)c(c2)C)C	PC-id_74821791	380.401	YIQSHAHAJVWHFJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-101684
FC(F)(F)C(=O)O[C@H]1C/C(=C/c2oc(C[C@H](CCC#C1)C(=C)C)c(c2)C)/C	PC-id_10691186	380.401	YIQSHAHAJVWHFJ-NEXKZYMUSA-N	00000000100000000110000000000010000000000000000000000000	31-01-101685
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)Cn1ccc(=O)[nH]c1=O	EMOLS-id_337798912,MCULE-4312626996,ZINC22_2356137852	380.401	BZXFUYBJMBMWFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101686
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cnc(Oc2ccccc2)nc1	ZINC22_1287343650,EMOLS-id_324042313,PC-id_146099593,MCULE-8221552870	380.401	DEXDQYCYADCPKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101687
O=C(N1CCn2c(nnc2CCc2ccccc2)CC1)c1[nH]c(=O)[nH]c(=O)c1	PC-id_56723205	380.401	IRUWJHFWTAYCPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101688
O=C(Nc1noc2c1CCCCC2)NNC(=O)c1[nH]nc(c1)c1ccccc1	PC-id_146152488	380.401	MDUXJOQEVKDVRS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101689
C1(=C(C)NC(=O)NC1c1[nH]cnc1C)C(=O)N1CCCn2nc(C#N)cc2C1	MCULE-7252063735,PC-id_56706439,EMOLS-id_36432462	380.404	CADAHKHKHWJQFK-UHFFFAOYSA-N	00000000100011000101100000000010000000000000000000000000	31-01-101690
c1(C(=O)NC)cn2c(CCN(CC2)C(=O)c2ccc(cc2)c2nnn(C)n2)n1	MCULE-1787464851,EMOLS-id_331115797,ZINC22_1875244019	380.404	IPKYYPYNACLHST-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101691
CC1=C(C(=O)N2CCCn3nc(C#N)cc3C2)[C@@H](c2[nH]cnc2C)NC(=O)N1	ZINC22_67694618	380.404	CADAHKHKHWJQFK-INIZCTEOSA-N	00000000100011000101100000000010000000000000000000000000	31-01-101692
CC1=C(C(=O)N2CCCn3nc(C#N)cc3C2)[C@H](c2[nH]cnc2C)NC(=O)N1	ZINC22_67694621	380.404	CADAHKHKHWJQFK-MRXNPFEDSA-N	00000000100011000101100000000010000000000000000000000000	31-01-101693
Cc1c(nccc1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(cc(n2)C)NC1=O	SCHEMBL18367222,PC-id_137052820	380.404	FVCTVTLDOZXYNN-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101694
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)Cc1ccccn1	SCHEMBL18367264	380.404	DLIHIGWEUYBQFW-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101695
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1nnn(n1)Cc1ccccc1	SCHEMBL18366937	380.404	SSSFZYMSXCQJDP-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101696
O=C(c1ncn(n1)Cc1cccnc1C)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18367280	380.404	ZSNJYNATMLFZKY-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101697
O=C(c1ncn(n1)Cc1ncccc1C)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18367233	380.404	GKRGLLKCDMWJAO-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-101698
Cc1ccc(cc1)CCN(C(=O)C1CCn2c(CC1)nnc2)CC(F)(F)F	MCULE-2982225454,EMOLS-id_319859126	380.407	XJGQJDNRMJHVOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101699
CC(c1cccc(c1)C(F)(F)F)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319769858	380.407	ZRIBUJBDSGSSPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101700
CCN(C(=O)C1CCn2c(CC1)nnc2)CCc1ccc(cc1)C(F)(F)F	MCULE-3758999334,EMOLS-id_319961232	380.407	HQQISFCVWQKEKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101701
CN(Cc1cc(F)c(F)c(F)c1)C1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922731,EMOLS-id_50586239,MCULE-3731048444	380.407	UXQDNCKAYFVRIK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-101702
CN(C(=O)C1CCn2c(CC1)nnc2)C(Cc1ccccc1C(F)(F)F)C	EMOLS-id_319918430,MCULE-6755735654	380.407	JYPQESZHINTLIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101703
FC(c1ccc(cc1)C1CCCCN1Cc1nnc2n1CCOCC2)(F)F	EMOLS-id_320298445,MCULE-3164009807	380.407	YRPZYUXACHYJAT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-101704
FC(F)(F)c1ccc([C@@H]2CCCCN2Cc2nnc3n2CCOCC3)cc1	ZINC22_1614994939	380.407	YRPZYUXACHYJAT-INIZCTEOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-101705
FC(F)(F)c1ccc([C@H]2CCCCN2Cc2nnc3n2CCOCC3)cc1	ZINC22_1614994941	380.407	YRPZYUXACHYJAT-MRXNPFEDSA-N	00000000100010110101100000000010000000000000000000000000	31-01-101706
OC1CN(C(C1)c1ccccc1C(F)(F)F)Cc1nnc2n1CCCCC2	EMOLS-id_318268578	380.407	IDEVKQXSXMAZIM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-101707
O=C(C1CCn2c(CC1)nnc2)NC(c1ccc(cc1)C(F)(F)F)C(C)C	EMOLS-id_316704431	380.407	ZQIMUUCTUPPWSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101708
O=C(C1CCn2c(CC1)nnc2)NCC(c1ccc(cc1)C(F)(F)F)(C)C	MCULE-3663939036,EMOLS-id_320217711	380.407	OPGGAVLRNXWPCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101709
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(OC(F)F)cc1	PC-id_46657123	380.409	SGOPFJHQKQBXCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101710
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(OC(F)F)cccc1	PC-id_41714414	380.409	DQIQSQAVTHTWOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101711
s1c2c(CCCCC2)c(c1NC(=O)c1c(OC(F)F)cccc1)C(=O)N	PC-id_55334337	380.409	JIMBQYJXQICDDS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101712
CN=C(NCc1nnc2n1CCCCC2)NCc1cccc(c1)C(F)(F)F	PC-id_111267647	380.411	BSKPHIUOWOWZMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101713
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1)C(F)(F)F	PC-id_111420133	380.411	OBMZMFZVIYJIDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101714
C1CN(CCc2c1nc(o2)C(=O)NCc1ccncc1)Cc1ccccc1F	PC-id_134805543	380.415	RQQPEWZKDILFBQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-101715
CN1CCNc2c(C1=O)n(c(n2)COc1ccc(cc1)F)Cc1ccccc1	PC-id_134804898	380.415	AJODDBCVEGOYFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101716
Fc1cccc(c1)Cn1nc2n(c1=O)C(CCCC2)C(=O)Nc1ccccc1	MCULE-3230055711,EMOLS-id_207869559	380.415	NQKGLFAUGJNWRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101717
Fc1cccc(c1)COc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_318990759	380.415	ZPPIYLAEIWSRHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101718
Fc1cccc(c1)OCc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-3728230176,EMOLS-id_319844856	380.415	WYGYZGMERUQXRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101719
Fc1cccc(CC(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)c1	EMOLS-id_50590081,MCULE-1218704911,PC-id_91922493	380.415	CBAGZHPBGMOESH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101720
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)C(O)c1ccc(cc1)F	EMOLS-id_337775434,MCULE-1880519005	380.415	ILCXRCUFERWSPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101721
O=C([C@@H](O)c1ccc(F)cc1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356151945	380.415	ILCXRCUFERWSPK-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101722
O=C([C@H](O)c1ccc(F)cc1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356151946	380.415	ILCXRCUFERWSPK-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101723
s1c2c(CCCCC2)c(c1NC(=O)C1=COCCO1)C(=O)NC(=O)OC	PC-id_7521897	380.415	BDMAITLRLFFHQY-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-101724
Cc1ccc(F)c(NC(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)c1	EMOLS-id_49173890,MCULE-1583959129,PC-id_72926456,ZINC22_96165209	380.419	SWARLEVTMYTCBQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-101725
COc1ccc(C(=O)O)cc1S(=O)(=O)NCc1nnc2n1CCCCC2	ZINC22_13088870,EMOLS-id_45730139,MCULE-9156172130,PC-id_45421294	380.419	JJBSNZGVEVDFQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101726
FC1C=Cc2c(C=C1)nc([nH]2)CCNC(=O)c1cccn(c1=N)C(=N)C1CC1	PC-id_144069655	380.419	ZMMMYPFUWOQSGV-UHFFFAOYSA-N	00100000100000101111000000000010000000000000000000000000	31-01-101727
Fc1cccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c1	PC-id_42397937,MCULE-3049853492,EMOLS-id_232767391,ZINC22_12079191	380.419	CZNQVYNRMNVKCB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-101728
Fc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1	MCULE-8551482180,PC-id_42327589,CoCoCo_1173342,ZINC22_11976927,CoCoCo_1173343,EMOLS-id_20430539	380.419	NNAQDAPNDQCWJZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-101729
Fc1c(CN2CCn3c(nnc3CNC(=O)c3ncccc3)CC2)cccc1	PC-id_28359614	380.419	DOSATSNLBOFPPZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-101730
c12n(Cc3sccn3)cnc1c(=O)[nH]c(NC(C)c1ccccc1)nc2=O	EMOLS-id_23838218,PC-id_45251543,MCULE-7004159986	380.424	GCFAMFCSVBUODN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-101731
C[C@@H](Nc1nc(=O)c2c(ncn2Cc2nccs2)c(=O)[nH]1)c1ccccc1	CoCoCo_1638832,ZINC22_20866174	380.424	GCFAMFCSVBUODN-LLVKDONJSA-N	00000000100000110111000000000010000000000000000000000000	31-01-101732
C[C@H](Nc1nc(=O)c2c(ncn2Cc2nccs2)c(=O)[nH]1)c1ccccc1	CoCoCo_1638833,ZINC22_20866178	380.424	GCFAMFCSVBUODN-NSHDSACASA-N	00000000100000110111000000000010000000000000000000000000	31-01-101733
O1C([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1	PC-id_10249200	380.434	ZZEANMDBFVJFJU-HZQGQDIUSA-N	00000010100010110110100000000010000000000000000000000000	31-01-101734
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1	PC-id_77444280	380.434	ZZEANMDBFVJFJU-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-101735
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2ccc3-c(cc2)ccc3)ccc1	PC-id_72423645	380.434	RMKKIBKWWZGSPJ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-101736
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1	PC-id_9886174,SCHEMBL5273209,BindingDB_PC-id_9886174	380.434	ZZEANMDBFVJFJU-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-101737
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2ccc3-c(cc2)ccc3)ccc1	SCHEMBL14590096,BindingDB_PC-id_58786158,PC-id_58786158	380.434	RMKKIBKWWZGSPJ-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-101738
O1[C@H]([C@H](O)[C@@H](O)C(O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1	SCHEMBL12428082,PC-id_68262029	380.434	ZZEANMDBFVJFJU-NKVGBNCSSA-N	00000010100010110110100000000010000000000000000000000000	31-01-101739
c1(C(=O)N(C)C)c2CCN(CCn2c(C)n1)S(=O)(=O)c1ccc(cc1)F	MCULE-5170611841,EMOLS-id_239582857	380.437	SVOJKJTWISYVJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101740
Cc1ccc(C(=O)NCc2cc3CN(CCCn3n2)S(=O)(=O)C)c(F)c1	EMOLS-id_46039613,ZINC22_91440267,PC-id_72857811,MCULE-5259530572	380.437	IYPKQPRWQYNHLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101741
Cc1ccc(S(=O)(=O)N2CCc3nc(C(=O)N(C)C)cn3CC2)cc1F	MCULE-2586692832,EMOLS-id_337676215,ZINC22_2100480687	380.437	PPSAOFAGQRBWLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101742
Cc1cc(F)ccc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	MCULE-7060254862,EMOLS-id_44424469,PC-id_70707644,ZINC22_82087247	380.437	DAGXDHAJVCSXGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101743
CC(=O)N1CCCn2nc(CNS(=O)(=O)c3cc(F)ccc3C)cc2C1	MCULE-1275021178,EMOLS-id_44437411,ZINC22_82115678,PC-id_70744163	380.437	UMESKEGOWSQYHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101744
COc1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(=O)O)CCCCC3)/C(=O)N2	PC-id_60113767,SCHEMBL6701271	380.437	UCQFUURMRVYLKF-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-101745
COc1ccc2c(c1)NC(=O)/C/2=Cc1[nH]c2c(c1CCC(=O)O)CCCCC2	SCHEMBL6692345,PC-id_60113749	380.437	NBPNFOOFVLBCFE-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-101746
CS(=O)(=O)N1CCCn2nc(CNC(=O)Cc3ccc(F)cc3)cc2C1	PC-id_72920607,EMOLS-id_46085215,ZINC22_91914944,MCULE-8388343722	380.437	DEVWZPSULYBNKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101747
Fc1cccc(c1)S(=O)(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922687,EMOLS-id_50590520,MCULE-1276334804	380.437	RWVJUAKNUUJYIU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-101748
Fc1cccnc1CNC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C	EMOLS-id_323879927,PC-id_138391923	380.437	VGRGZOGLZLHELA-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-101749
O=C1Nc2c(C1=Cc1[nH]c3c(CCCCC3)c1CCC(=O)O)ccc(OC)c2	PC-id_72651837	380.437	NBPNFOOFVLBCFE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-101750
O=C1Nc2c(C1=Cc1[nH]c3c(CCCCC3)c1CCC(=O)O)cc(OC)cc2	PC-id_72651851	380.437	UCQFUURMRVYLKF-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-101751
CCOC(=O)C(C)(CCCCn1cnc2c1NC=NCC2O)C(=O)OCC	CHEMBL37325,PC-id_10691202,BindingDB_PC-id_10691202	380.439	AQYPWVJDOMCRTB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-101752
COCCO/C=C/c1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)OC(C)(C)C	SCHEMBL18367390	380.439	QBRWBMUSROCBEC-VQHVLOKHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101753
O=C(Cc1ccc2-c1ccccc2)Nc1cccc(c1)C(=O)Nc1ccccc1	PC-id_139996487	380.439	WBPAEYICEXDLGZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-101754
s1c2c(CCCCC2)c(c1NC(=O)c1sc([N+](=O)[O-])cc1)C(=O)OC	PC-id_5225590	380.439	QQCJFFQUIZSTJW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-101755
s1c2c(CCCCCC2)c(c1NC(=O)c1[n+]([nH]oc1=O)C)C(=O)OCC	PC-id_53290417	380.439	BYCYISQYHMLKGS-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-101756
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1onc(c2ccc(cc2)C)c1	PC-id_56885343,EMOLS-id_43070571,ZINC22_72429874,MCULE-9635375695	380.44	FQHHIQZLVILQCT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101757
c1(c(CC)noc1C)C(=O)N1CCCn2c(cc(n2)C(O)c2ccccc2)C1	MCULE-8333291532,PC-id_91767495,EMOLS-id_55623872	380.44	GTEUOLJXKBDZKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101758
c1(c(C)onc1c1ccccc1)C(=O)N1CCCn2c(cc(n2)C(CC)O)C1	MCULE-1625029523,PC-id_90653366,EMOLS-id_50548029	380.44	FTZQPTUBQRHPPM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101759
c1(C(O)C2CCC2)cc2n(CCCN(C(=O)c3ccc4c(c3)oc(n4)C)C2)n1	EMOLS-id_55700161,MCULE-5540743619,PC-id_91793840	380.44	LHEFGUKAZWAVGS-UHFFFAOYSA-N	00001000100000100101000001000010000000000000000000000000	31-01-101760
c1(C(O)c2ccccc2)cc2n(CCCN(CC(=O)NCc3ccco3)C2)n1	EMOLS-id_55607282,MCULE-4675346885,PC-id_91761576	380.44	WBWZZHOQFJCPSC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101761
c1(C(=O)N2CCCC2)cc2n(CCCN(C2)C(=O)c2cccc3CCOc23)n1	EMOLS-id_32382742,ZINC22_65384787,PC-id_50955834,MCULE-6839324460	380.44	TVGRORQHHQFGBO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101762
Cc1c(c(no1)C)CN1CCc2c(CC1)oc(n2)C(=O)NCc1ccccc1	PC-id_134807710	380.44	OELWQPFEEOEBLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101763
Cc1nc2ccc(C(=O)N3CCCn4nc([C@H](O)C5CCC5)cc4C3)cc2o1	PC-id_100262612,ZINC22_223507324	380.44	LHEFGUKAZWAVGS-HXUWFJFHSA-N	00001000100000100101000001000010000000000000000000000000	31-01-101764
Cc1nc2ccc(C(=O)N3CCCn4nc([C@@H](O)C5CCC5)cc4C3)cc2o1	ZINC22_223507265,PC-id_100262603	380.44	LHEFGUKAZWAVGS-FQEVSTJZSA-N	00001000100000100101000001000010000000000000000000000000	31-01-101765
CCc1noc(C)c1C(=O)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1	PC-id_100032466,ZINC22_219045742	380.44	GTEUOLJXKBDZKE-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101766
CCc1noc(C)c1C(=O)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1	PC-id_100032467,ZINC22_219045808	380.44	GTEUOLJXKBDZKE-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101767
C=C/C=CC(=C/C)c1ccc(cc1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_145578256	380.44	MURHKDASEKXIQN-BSXFWRJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101768
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1c(c3ccccc3)noc1C)C2	PC-id_100067645,ZINC22_221389966	380.44	FTZQPTUBQRHPPM-GOSISDBHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101769
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1c(c3ccccc3)noc1C)C2	ZINC22_221389913,PC-id_100067644	380.44	FTZQPTUBQRHPPM-SFHVURJKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101770
CN(C)C(=O)COC1CN(Cc2cccn2C1)C(=O)c1cc2ccccc2[nH]1	EMOLS-id_55752271	380.44	WWMSQKOXSRVGPV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101771
Nc1sc2c(c1C(=O)c1ccc(I)cc1)CCCCC2	PC-id_11741494,CHEMBL125463	397.274	ZQMMQLUIYNRVIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112323
CN(C)C(=O)CO[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2cccn2C1	ZINC22_575406881	380.44	WWMSQKOXSRVGPV-KRWDZBQOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101772
CN(C)C(=O)CO[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2cccn2C1	ZINC22_575406882	380.44	WWMSQKOXSRVGPV-QGZVFWFLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101773
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(cc1)OC1CCOCC1	EMOLS-id_101099390	380.44	QLFXRPRIDUGQML-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101774
o1c(C(=O)N(Cc2n3CCCCCc3nn2)C)c(COc2ccccc2)cc1	PC-id_30828978	380.44	OLLRABREESVBDQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101775
o1c(C(=O)NCCc2n3CCCCCc3nn2)ccc1COc1ccccc1	PC-id_51307477	380.44	FIRTZJGVTGCONJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101776
O(c1c(cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1C)C)CC(=O)OC	PC-id_60603820	380.44	IPOOWBNJNYDFRY-BOPFTXTBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101777
O(c1c(cc(C=C(c2n3CCCCCc3nn2)C#N)cc1C)C)CC(=O)OC	PC-id_76878132	380.44	IPOOWBNJNYDFRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101778
OCc1cc(oc1C)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	MCULE-7634960142,EMOLS-id_316420206	380.44	KLKNQLOBVLMBNC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101779
O=C(CN1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O)NCc1ccco1	PC-id_100009704	380.44	WBWZZHOQFJCPSC-NRFANRHFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101780
O=C(CN1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O)NCc1ccco1	PC-id_100009707	380.44	WBWZZHOQFJCPSC-OAQYLSRUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-101781
O=C(N1CC(Cn2c(C1)cc(c2)C(=O)NO)(C)C)c1n(c2c(c1)cccc2)C	PC-id_58465784,SCHEMBL12210707	380.44	HJLVNWXNNGBSSC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101782
O=C(N1CCN(CC1)C(=O)c1cc2c([nH]1)CCCCC=C2)Oc1cccnc1	PC-id_143986419	380.44	OWSDRXVISFXEAT-UHFFFAOYSA-N	00000000100010101111000000000010000000000000000000000000	31-01-101783
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625589	380.442	YOSNKQWYNBCYHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101784
OCc1cc2CN(CCCn2n1)S(=O)(=O)c1ccc(s1)c1ccon1	MCULE-8609137846,PC-id_91774803,EMOLS-id_55644694,ZINC22_219925022	380.442	RLSCXNOPEZUNAR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-101785
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cccc2nonc12	EMOLS-id_46058583,ZINC22_91636546,PC-id_72884096,MCULE-8378412926	380.444	XWALQCOMAUHAFZ-UHFFFAOYSA-N	00001000100000100101000001000010000000000000000000000000	31-01-101786
c12CN(CCCn1nc(CNC(=O)c1ccc3c(cc[nH]3)c1)c2)C(=O)N(C)C	ZINC22_91665540,PC-id_72893583,EMOLS-id_46065485,MCULE-5569250109	380.444	OEZJIRRUCUIRLH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101787
C1CC1Cn1c(=O)n2CCN(CCc2n1)C(=O)CCc1nc2ccccc2[nH]1	PC-id_91922454,MCULE-9890463926,EMOLS-id_50585773	380.444	BCQIMKKJBPUMJV-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-101788
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc(C)o3)CCn12	EMOLS-id_232734045,MCULE-9039674731,PC-id_45200763	380.444	VGGCWRADVNOYRE-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-101789
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(C)n3)CCn12	PC-id_45224676,EMOLS-id_20633951,ChEMBL-DNDi_CHEMBL60098463,MCULE-3788435913	380.444	DTPLXMRWXYWQEJ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-101790
c1(c(C)noc1C)NC(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	PC-id_72918405,ZINC22_96163397,MCULE-9758638422,EMOLS-id_49171022	380.444	BXOYBIAKONZLLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101791
c1(cn2c(CCNCC2)n1)C(=O)N(CC)Cc1onc(c2cccc(C)c2)n1	EMOLS-id_330440988,MCULE-9790960322,ZINC22_1857722443	380.444	VQCOLIUUPCVFBV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101792
c1(Cn2cc(nn2)C(C)Cc2ccc3c(OCO3)c2)nnc2CCCCCn12	EMOLS-id_44717422,MCULE-8046992965,PC-id_70737132	380.444	RJBLGFAZKJZSQQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101793
C1CN(Cc2cc(nn2C1)C(c1ccccc1)O)C(=O)CCCn1cncn1	PC-id_91785261	380.444	LYUCNTRBRGSUHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101794
c1(CN(C)C(=O)NCc2onc(c3cccnc3)c2)c2CCCCCc2[nH]n1	MCULE-8897894743,EMOLS-id_177453885,ZINC22_426549923,PC-id_121506448	380.444	LAQJNRVQBISSCG-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-101795
c1(C(O)c2ccccc2)cc2n(CCCN(CC(=O)Nc3cnn(C)c3)C2)n1	EMOLS-id_55634232,PC-id_91771106,MCULE-7217160927	380.444	JZFUSZRNFOMNBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101796
c1(C(=O)N2CCCC2)cc2n(CCCN(Cc3ccc(c4ccn[nH]4)o3)C2)n1	ZINC22_67756557,EMOLS-id_32410848,PC-id_50970692,MCULE-6776119617	380.444	BFXJDXTUECIZKO-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-101797
c1(C(=O)NCc2nnc3CCCCCn23)cc(n(C)n1)c1ccc(cc1)OC	CoCoCo_506663,MCULE-7303130029,EMOLS-id_30449939,SYN-22951571,ZINC22_19716156,PC-id_46977408	380.444	UNJGAOKOLNLKSQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101798
c1(C(=O)NC(C)c2cnn(c3ccc(cc3)OC)c2)cn2c(CCNCC2)n1	MCULE-7244899822,EMOLS-id_330392817	380.444	RGEDTFRFYAOCKF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101799
c1(C(=O)N(C)Cc2noc(C)n2)cc2n(CCCN(Cc3ccccc3)C2)n1	EMOLS-id_32438002,ZINC22_65534590,PC-id_50985211,MCULE-8076848988	380.444	AIFJFIUXVAQHNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101800
c1(C(=O)N(C)Cc2onc(c3cccc(C)c3)n2)cc2n(CCCN(C)C2)n1	ZINC22_65456422,PC-id_50973813,MCULE-4714341218,EMOLS-id_32416714	380.444	DUKGYOLHLSHAMO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101801
c1(C(=O)N)cn2c(CCN(Cc3ccc(c(Cn4cccn4)c3)OC)CC2)n1	EMOLS-id_336470972,MCULE-2522973344,ZINC22_1940194725	380.444	JTNITZQNPGMHFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101802
Cc1ccc(c2nnc(CCC(=O)NCc3nnc4n3CCCCC4)o2)cc1	ZINC22_40012934,MCULE-4714295533,EMOLS-id_30238411,PC-id_45859676	380.444	WKARKDJDKUUIHL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101803
Cc1ccc(c2noc(CCC(=O)NCc3nnc4n3CCCCC4)n2)cc1	PC-id_40075483,ZINC22_32841625,MCULE-5061606079,CoCoCo_4336689,EMOLS-id_24480955	380.444	RVRSAMDPFUDOOG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101804
Cc1cccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)n1	CoCoCo_1406703,ZINC22_19226166,EMOLS-id_20592257,MCULE-1847674682,PC-id_28099780,CoCoCo_1406702,ChEMBL-DNDi_CHEMBL48621451	380.444	KNXAACXMNKYSPT-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-101805
Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)n1	PC-id_28356568,CoCoCo_1469404,CoCoCo_1469405,ZINC22_19789677	380.444	DTPLXMRWXYWQEJ-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-101806
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)n1	ZINC22_19789678,PC-id_28356569,CoCoCo_1469406,CoCoCo_1469407	380.444	DTPLXMRWXYWQEJ-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-101807
Cc1cccc(Cn2nccc2NC(=O)Cn2nc3n(c2=O)CCCCC3)c1	EMOLS-id_320311013,ZINC22_30526560,MCULE-7358436049	380.444	CFXIWDBAXUDZJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101808
Cc1ccc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)o1	CoCoCo_1280212,PC-id_29149487,EMOLS-id_232727656,ZINC22_20773948,MCULE-1318574025,CoCoCo_1280213	380.444	CMBQZMIVJGVVTJ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-101809
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)o1	CoCoCo_1317215,CoCoCo_1317214,ZINC22_20908715	380.444	VGGCWRADVNOYRE-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-101810
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)o1	CoCoCo_1317217,CoCoCo_1317216,ZINC22_20908719	380.444	VGGCWRADVNOYRE-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-101811
Cc1cc(C)n(CC(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)n1	EMOLS-id_50586941,PC-id_91922511	380.444	FQUQYJTUTXGPLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101812
Cc1cc(NC(=O)Cn2nc3n(c2=O)CCCCC3)n(Cc2ccccc2)n1	EMOLS-id_320326874,ZINC22_253477271,MCULE-7887577467	380.444	DWEQYONAQMKPHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101813
CCc1ccc(cc1)c1noc(n1)C(NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319980679,MCULE-2639734827	380.444	BEFADVCKKBMQRY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101814
CC(c1noc(n1)Cc1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316731347	380.444	XYKOQDCTPWFSPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101815
CC(Cc1onc(n1)c1ccccc1)NC(=O)N1CCCc2c(C1)cnn2C	MCULE-5797097337,EMOLS-id_316199456	380.444	KXEUBOOFPZSYOY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101816
C[C@@H](Cc1ccc2c(c1)OCO2)c1cn(Cc2nnc3n2CCCCC3)nn1	ZINC22_91602359,PC-id_97127162	380.444	RJBLGFAZKJZSQQ-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101817
C[C@H](Cc1ccc2c(c1)OCO2)c1cn(Cc2nnc3n2CCCCC3)nn1	ZINC22_91602362,PC-id_97127163	380.444	RJBLGFAZKJZSQQ-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101818
C[C@@H](Cc1nc(c2ccccc2)no1)NC(=O)N1CCCc2c(cnn2C)C1	ZINC22_888102603	380.444	KXEUBOOFPZSYOY-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101819
C[C@H](Cc1nc(c2ccccc2)no1)NC(=O)N1CCCc2c(cnn2C)C1	ZINC22_888102604	380.444	KXEUBOOFPZSYOY-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101820
CCn1c(c2ccccc2)nn(CC(=O)N2CCCn3nc(C)cc3C2)c1=O	EMOLS-id_43564769,PC-id_70721616,ZINC22_77341255,MCULE-9747457930	380.444	UHWZQKMSZZMNKN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101821
Cn1c2ccccc2c(n1)C(=O)NC1CCc2nn(c(=O)n2CC1)CC1CC1	PC-id_91910849	380.444	HBOYTVNSHWOLNG-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-101822
Cn1cc(NC(=O)CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)cn1	PC-id_100041749,ZINC22_219475456	380.444	JZFUSZRNFOMNBR-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101823
Cn1cc(NC(=O)CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)cn1	ZINC22_219475382,PC-id_100041747	380.444	JZFUSZRNFOMNBR-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101824
CN(Cc1cc(c2ccncc2)no1)C(=O)CCc1cc2n(n1)CCCNC2	EMOLS-id_43068363,ZINC22_72423846,MCULE-1101095219,PC-id_70712187	380.444	IWQLDNYASKUHMB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-101825
CN(Cc1nnc2n1CCCCC2)C(=O)CCc1nnc(c2ccccc2)o1	PC-id_40019119,CoCoCo_4758525,ZINC22_32786751,MCULE-7442740442,EMOLS-id_25665987	380.444	BBLJRDAYNZQIMK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101826
O=C(N1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O)CCCn1cncn1	PC-id_100119575	380.444	LYUCNTRBRGSUHO-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101846
CN(Cc1nnc(c2ccccc2)o1)C(=O)NCc1n[nH]c2c1CCCCC2	EMOLS-id_177466029,MCULE-2989035503,ZINC22_426589773,PC-id_121507929	380.444	MDAULOUBFVLDFU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101827
COc1cccc(c1)C(c1nccn1C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319241106	380.444	ZUXVCZFUEBCWPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101828
COc1ccccc1C(c1nccn1C)NC(=O)C1CCn2c(CC1)nnc2	MCULE-2437128355,EMOLS-id_319998296	380.444	WEWQGIKLNPPBRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101829
COc1ccc(Cn2cc(C(=O)NCc3nnc4n3CCCCC4)cn2)cc1	ZINC22_109252061	380.444	UBCTZKXSMPYCBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101830
COc1cccc(OC)c1c1cnnc(NCc2n[nH]c3c2CCCCC3)n1	PC-id_70781334,ZINC22_77397533,MCULE-5901700786,EMOLS-id_43553889	380.444	YKKAUPHCWYPXKL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101831
COc1ccc(n2cc([C@H](C)NC(=O)c3cn4c(n3)CCNCC4)cn2)cc1	ZINC22_1857715996	380.444	RGEDTFRFYAOCKF-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101832
COc1ccc(n2cc([C@@H](C)NC(=O)c3cn4c(n3)CCNCC4)cn2)cc1	ZINC22_1857715997	380.444	RGEDTFRFYAOCKF-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101833
n12CCN(CCc1nnc2CCNC(=O)c1cccnc1)C(=O)C1=CCCC1	PC-id_42348905,ZINC22_12004811,EMOLS-id_20519193,MCULE-6314427742,CoCoCo_1299055	380.444	FCDLAIJSWIZEDD-UHFFFAOYSA-N	00000011100000101101000000000010000000000000000000000000	31-01-101834
n1c(CCCC(=O)NCc2c3CCCCCc3[nH]n2)onc1c1cccnc1	EMOLS-id_222784152,MCULE-9147058885,ZINC22_670464604	380.444	ZCYXREJDNBISOO-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-101835
n1c(CCCC(=O)NCc2c3CCCCCc3[nH]n2)onc1c1ccncc1	ZINC22_670444666,MCULE-9156998463,EMOLS-id_222761460	380.444	PRFPQRYGFMRKCS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-101836
n1c(CCNC(=O)CCc2cc3n(CCCNC3)n2)noc1c1ccccc1	EMOLS-id_43122961,ZINC22_72429823,MCULE-2793376997,PC-id_70742564	380.444	XLAAZAOUSDLLTL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101837
N#Cc1ccc(cc1)N1CCN(CC1)C(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_316660113	380.444	SOBPJDUNOBKNOZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-101838
o1cc(CN2CCn3c(nnc3CNC(=O)CCc3cccnc3)CC2)cc1	ChEMBL-DNDi_CHEMBL50067794,PC-id_42428961,CoCoCo_1414655,CoCoCo_1414656	380.444	GJEFSCKHZYFWAK-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-101839
O=c1n(C)cc(n1C)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_319919723,MCULE-8210848934	380.444	ZKJGLDZUTYSLKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101840
O=C(CCc1cccnc1)NCc1nnc2n1CCN(CC2)Cc1ccco1	ChEMBL-DNDi_CHEMBL34113057	380.444	SLHUUIHNWNMGKR-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-101841
O=C(Cn1nc2n(c1=O)CCCCC2)NCc1ccccc1Cn1cccn1	EMOLS-id_320294398,MCULE-6277890723,ZINC22_30604499	380.444	ZJGQDDQJPYEQNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101842
O=C(Cn1nc2n(c1=O)CCCCC2)NCc1cnn(c1)Cc1ccccc1	PC-id_86990860	380.444	LKZMFZPSGWUJQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101843
O=C(N1Cc2n(nc(CN3CCCC3)c2)CCC1)C1=CC(C(=O)N=C1C)C#N	PC-id_76438390	380.444	AYSVJWRBJKHLQQ-UHFFFAOYSA-N	00000010100011000101000000000010000000000000000000000000	31-01-101844
O=C(N1Cc2n(nc(CN3CCCC3)c2)CCC1)c1c([nH]c(=O)c(c1)C#N)C	PC-id_56909373	380.444	TTZZYNOSRDVPKC-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-101845
O=C(N1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O)CCCn1cncn1	PC-id_100119591	380.444	LYUCNTRBRGSUHO-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101847
O=C(N1CCCn2nc(cc2C1)CNC(=O)c1cc2[nH]ccc2cc1)N(C)C	PC-id_70755795	380.444	JLURHBHGKIAUMI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101848
O=C(Nc1ccccc1c1ncco1)NCCCc1nnc2n1CCCCC2	EMOLS-id_278149981	380.444	SLVOMQUPKRLPCC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101849
O(/N=c/1c(nc2n(nc(c2nc1C)C)C(C)(C)C)C)C(=O)Nc1ccccc1	PC-id_10571822	380.444	IGGUMYMJAMQCJN-XYGWBWBKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-101850
O(N=c1c(nc2n(nc(c2nc1C)C)C(C)(C)C)C)C(=O)Nc1ccccc1	PC-id_85189808	380.444	IGGUMYMJAMQCJN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-101851
Cn1nc2CCC(CCn2c1=O)NS(=O)(=O)c1cccc2nsnc12	PC-id_91910839,MCULE-7151415708,EMOLS-id_50587459	380.445	MGUFFEUNPWGAGY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101852
Fc1cc(F)c(c(c1)F)/C=C/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_101478351	380.445	OZAMKHYHTRJOEI-KQQUZDAGSA-N	00000010100000110110000000000010000000000000000000000000	31-01-101853
C[C@H](NC(=O)NCc1cc2n(n1)CCCNC2)c1ccc(n2cncn2)cc1	ZINC22_426622894	380.447	FROYDOJXIHSENO-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101854
C[C@@H](NC(=O)NCc1cc2n(n1)CCCNC2)c1ccc(n2cncn2)cc1	ZINC22_426622895	380.447	FROYDOJXIHSENO-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101855
CC(NC(=O)NCc1cc2CNCCCn2n1)c1ccc(cc1)n1cncn1	EMOLS-id_177475939,MCULE-7500135229,PC-id_121509235	380.447	FROYDOJXIHSENO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101856
CN(Cc1n[nH]c2c1CCCCC2)C(=O)Nc1ccc(c2nnn(C)n2)cc1	EMOLS-id_49165942,ZINC22_96153506,PC-id_72904417,MCULE-8330220395	380.447	XPSIASMEDGADOO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101857
CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCc1nnnn1c1ccccc1	ZINC22_584886701,MCULE-1102013823,EMOLS-id_177377214	380.447	ZREYHZLOHRGWHV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101858
N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183132	380.447	WGVPATNNSGFVMP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101859
N#Cc1ccccc1N1CCCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183339	380.447	FESGIYMBYQATLR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101860
O=C(N1CCCC1Cn1cnc2c1cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102166927	380.447	RLAIYRVAKPIDAJ-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-101861
O=C(NCc1cc(ccc1)c1n[nH]nn1)c1nn2CCCN(Cc2c1)C(C)C	PC-id_50958054	380.447	UKOVWWLDSIZFQP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101862
OCC1CC(O)CC(O1)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)C)F	PC-id_144227095	380.452	ZJESWVRIQNVRHN-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-101863
OCC1CC(O)CC(O1)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)F)C	PC-id_144227105	380.452	QBVZYMNRSSLUJR-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-101864
CCOC(=O)c1c(NC(=O)N2CCC(C2)C(=O)O)sc2c1CCCCC2	PC-id_122087726,MCULE-5859779617,EMOLS-id_72871315	380.459	RXRYQGOODVKBBK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-101865
CCOC(=O)/C(=C(/O)C)/N=Nc1sc2c(c1C(=O)OCC)CCCCC2	PC-id_145966785	380.459	CWEONLSOMRKRQL-FMWNLMJBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-101866
COc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c(F)c1	ChEMBL-DNDi_CHEMBL581057,MCULE-5880521437,ZINC22_14988028,CHEMBL581057,EMOLS-id_232743238,PC-id_44171281	380.459	DJGJUCSSJLAGIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101867
COc1ccc(F)c(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1	CoCoCo_1290980,MCULE-8217087134,ZINC22_20778938,PC-id_29151214,CoCoCo_1290979,EMOLS-id_20513555	380.459	ACWZKNINGOVYGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101868
COC(=O)c1c(NC(=O)N2CCC(C2)(C)C(=O)O)sc2c1CCCCC2	MCULE-9894436079,EMOLS-id_72871385,PC-id_122087761	380.459	MEHDDDWZPFJZQQ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-101869
COC(=O)c1c(NC(=O)N2CCC(CC2)C(=O)O)sc2c1CCCCC2	MCULE-6436669503,EMOLS-id_72871369,PC-id_122087753	380.459	GGCKJNGCQJTMNB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-101870
COC(=O)c1c(NC(=O)N2CCCC(C2)C(=O)O)sc2c1CCCCC2	PC-id_122087759	380.459	UPMSTMUWUJMASM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-101871
c1(c2CCCCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccccc1	BAS-00486731,PC-id_1284336,CoCoCo_81726,MCULE-6572244002,EMOLS-id_1230923,ZINC22_1104464	380.46	KKLQCTDBRFBVAG-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-101872
c1(NC(=O)c2ccc(cc2)n2cccc2)sc2c(CCCCC2)c1C(=O)O	MCULE-9825582396,PC-id_28860518,EMOLS-id_179129760	380.46	MHRWEZVGTHENSF-UHFFFAOYSA-N	00000000110000110100100000000010000000000000000000000000	31-01-101873
CC(=O)c1ccc(c2ccc(C(=O)Nc3nc4c(s3)CCCCC4)o2)cc1	EMOLS-id_14003338,ZINC22_12890145,MCULE-9018502780,CoCoCo_4546163,PC-id_16605142	380.46	KNMDKDRGVZZQJI-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-101874
COc1ccc2oc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c(C)c2c1	ZINC22_6552698,PC-id_7998462,MCULE-1281948450,CoCoCo_3268371,EMOLS-id_2878626	380.46	HHSAYLDLNABZOV-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-101875
N#Cc1c(NC(=O)COC(=O)/C=C/c2ccccc2)sc2c1CCCCC2	CoCoCo_3044269,PC-id_6213458,ZINC22_6932261	380.46	NTQQMJXMMBGNDD-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101876
N#Cc1c(NC(=O)COC(=O)/C=Cc2ccccc2)sc2c1CCCCC2	CoCoCo_3044270	380.46	NTQQMJXMMBGNDD-QXMHVHEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101877
N#Cc1c(NC(=O)COC(=O)C=Cc2ccccc2)sc2c1CCCCC2	MCULE-4690784165,PC-id_4804223,EMOLS-id_26047904	380.46	NTQQMJXMMBGNDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101878
O=C(Cc1ccco1)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139785119	380.46	OMEDWNKZQOVAHN-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-101879
s1c2CCCCCc2c(c1NC(=O)c1oc2c(c1)cccc2OCC)C#N	PC-id_40888765	380.46	XRPBCFOMFUQPLM-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-101880
s1c2CCCCCCc2c(c1NC(=O)C=Cc1cc2OCOc2cc1)C#N	PC-id_4172990	380.46	YCKHHFAQFAPQKY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101881
s1c2CCCCCCc2c(c1NC(=O)/C=C/c1cc2OCOc2cc1)C#N	PC-id_6027915	380.46	YCKHHFAQFAPQKY-CSKARUKUSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101882
CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625483	380.462	OYUOUOFAMRESQJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-101883
CNS(=O)(=O)c1ccc(CN2CCCn3nc(cc3C2)C(O)CO)cc1	EMOLS-id_55652288,MCULE-9766301961,PC-id_91777401	380.462	IVVMMDJNFWDEAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101884
OC[C@@H](c1nn2c(c1)CN(CCC2)Cc1ccc(cc1)S(=O)(=O)NC)O	PC-id_99974737	380.462	IVVMMDJNFWDEAI-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101885
OC[C@H](c1nn2c(c1)CN(CCC2)Cc1ccc(cc1)S(=O)(=O)NC)O	PC-id_99974738	380.462	IVVMMDJNFWDEAI-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101886
c
(=N/C(=O)Cn2c(=O)ccc(c3ccccc3)n2)/sc2c(CCCCC2)[nH]1	STOCK7S-12196,EMOLS-id_46561481,MCULE-9596185970,ZINC22_51288813,PC-id_52338710,EMOLS-id_35783642	380.463	CGNWNQJGGOEMFT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101887
Cc1ccc(cc1)C[N@@H+]1CCc2n(CC1)c(nn2)CCNC(=O)c1ccco1	GD-id_ZINC11996134	380.463	PQYZRMQQKQXWRJ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-101888
Cc1cccc(c1)C[N@@H+]1CCc2n(CC1)c(nn2)CCNC(=O)c1cocc1	GD-id_ZINC11996463	380.463	IHZXZFZBKQLIHG-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-101889
Cc1ccc(cc1)S(=O)(=O)N1C/C(=C/c2ccccc2)/Cn2c(C1)cnn2	PC-id_101526008	380.463	RNJDKLMCPIJYDS-WQRHYEAKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101890
Cc1ccc(cc1)S(=O)(=O)N1C/C(=Cc2ccccc2)/Cn2c(C1)cnn2	PC-id_101526009	380.463	RNJDKLMCPIJYDS-WOJGMQOQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101891
Cc1ccc(cc1)S(=O)(=O)N1CC=CCc2c1nnn2Cc1ccccc1	PC-id_102324344	380.463	ICNCKDXVFHZYNO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-101892
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)c2c(C)noc2n1	MCULE-1670272454,EMOLS-id_44539882,PC-id_71890220,ZINC22_84083210	380.463	QURSIDLIQYOQOJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101893
Cc1cc(=O)c(C(=O)Nc2nc3c(s2)CCCCC3)nn1c1ccccc1	CoCoCo_4546242,ZINC22_12829210,PC-id_17489985,MCULE-7376607396,EMOLS-id_15280626	380.463	UQTSYSNYHZFAHJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101894
Cc1c(scc1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	PC-id_137661044	380.463	IBQGXDAWFVQONZ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-101895
o1c(c(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2ccccc2)cc1C)C	PC-id_42169595	380.463	NRJFWKBICKQVMH-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-101896
O=C(c1csc(c1)C(=O)C)N1CCc2n(CC1)c(nn2)Cc1ccccc1	ChEMBL-DNDi_CHEMBL54492730	380.463	CRMYRWXHGIEGEO-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-101897
O=C(NCc1ccccc1)c1nc2CCN(CCc2s1)C(=O)c1cc[nH]c1	ZINC22_1146884582,EMOLS-id_313792058	380.463	VDEYISUIKFRIER-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-101898
O=C(NCc1cccnc1)c1ccc2CCN(CCn12)C(=O)c1cccs1	ZINC22_585110948,EMOLS-id_313770702	380.463	FUBSHMPFRYGDMJ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101899
O=C(NCc1cccnc1)c1ccc2CCN(CCn12)C(=O)c1ccsc1	EMOLS-id_313783443,ZINC22_585110955	380.463	HFVAMFORIUQTME-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-101900
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)c1occc1	PC-id_74785776	380.463	DZKDINHFTOSWDS-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-101901
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)c1occc1	PC-id_42246284	380.463	DZKDINHFTOSWDS-MRXNPFEDSA-O	00000000101000110101000000000010000000000000000000000000	31-01-101902
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)c1occc1	PC-id_42246285	380.463	DZKDINHFTOSWDS-INIZCTEOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-101903
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(n2ccnc2)cc1	PC-id_31533642	380.463	SJINPZHDWKAPHG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101904
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cn(nc1)c1ccccc1	PC-id_24488101	380.463	FEUZFEKXKKFQCO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101905
s1c2CCCCCc2cc1C(=O)NNC(=O)c1n(c2ccccc2)cnc1	PC-id_26426644	380.463	RELLRCXWXVGZNE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101906
s1c2CCCCCc2cc1C(=O)NNC(=O)c1nn(c2ccccc2)cc1	PC-id_39930182	380.463	JIFBBOGGOBFQPO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101907
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(n2nccc2)cc1)C(=O)N	PC-id_55369393	380.463	GDXVTVFIUYZSFI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101908
s1c(CNC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)ccc1	PC-id_50798104	380.463	QNKYFJSUPGWLDH-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-101909
Cc1cnn([C@@H](C)C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)c1	PC-id_97139492,ZINC22_91746844	380.465	MIJMEMDPKBDHCS-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101910
Cc1cnn([C@H](C)C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)c1	PC-id_97139493,ZINC22_91746845	380.465	MIJMEMDPKBDHCS-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101911
CC(C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C)n1cc(C)cn1	PC-id_72903329,MCULE-2468873004,EMOLS-id_46072639	380.465	MIJMEMDPKBDHCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101912
CCn1cc(cn1)S(=O)(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_50586065,PC-id_91922697,MCULE-2831889242	380.465	RHFFAITVTPKONJ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-101913
CCn1cc(C(=O)NCc2cc3CN(CCCn3n2)S(=O)(=O)C)c(C)n1	ZINC22_91535758,MCULE-2873447241,PC-id_72868845,EMOLS-id_46047527	380.465	GAWISRPCSSIMCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101914
Cn1cc(nc1)S(=O)(=O)N(C)C1CCc2nn(c(=O)n2CC1)CC1CC1	MCULE-4212293869,PC-id_91910884,EMOLS-id_50590550	380.465	ULRFBEJGCJCKOZ-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-101915
CS(=O)(=O)N1CCCn2nc(CNC(=O)CCCc3cn[nH]c3)cc2C1	PC-id_70708840,MCULE-9491901422,EMOLS-id_44424877,ZINC22_82087580	380.465	PLQICFDTIYNTFT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101916
O=S(=O)(c1cnn(c1)C1CCOCC1)NCc1nnc2n1CCCCC2	EMOLS-id_101091359	380.465	IZIGIJJVWPREFV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-101917
S(c1n2CCCCCc2nn1)CC(=O)C1C(N(CCC)C(=O)NC1=O)N	PC-id_78559282	380.465	QOPHQYPQBVZFCJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-101918
c12nc(C)cc(C)n1nc(CC(=O)Nc1sc3c(CCCCC3)c1C#N)n2	ZINC22_6661982,MCULE-1431439791,EMOLS-id_4734748,PC-id_8030370,STOCK6S-06709	380.467	YHDPGSXXGCRGKR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101919
N#Cc1c(NC(=O)c2nc3n(n2)c(C)cc(n3)C)sc2c1CCCCCC2	EMOLS-id_110431608	380.467	NVMTYLIYRKKRBJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101920
s1c2CCCCCc2cc1C(=O)NN=C(c1cc(n2nnnc2)ccc1)C	PC-id_78620795	380.467	HPJOEVOWUCFVJB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101921
s1c2CCCCCc2cc1C(=O)N/N=C(c1cc(n2nnnc2)ccc1)/C	PC-id_8159506	380.467	HPJOEVOWUCFVJB-BKUYFWCQSA-N	00000000100000110101100000000010000000000000000000000000	31-01-101922
O(C(=O)/C=C(/c1c(c2-c(c1)c(cc(cc2C)C)C)/C=C/C(=O)OCC)C)CC	PC-id_11003403	380.477	PLZUZNGCOUASMF-QDNZWQKDSA-N	00000010100000000110000000000010000000000000000000000000	31-01-101923
O(C(=O)C=C(c1c(c2-c(c1)c(cc(cc2C)C)C)C=CC(=O)OCC)C)CC	PC-id_85362840	380.477	PLZUZNGCOUASMF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-101924
CC(c1ccc(c2-c(c1)c(cc2C(=O)C)C(=O)c1ccc2-c1ccccc2)C)C	PC-id_102042072	380.478	CKBKARDEZGQMKA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-101925
s1c2c(CCCCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)OCCC	PC-id_74533728	380.478	ALIXTXGUJQEIDT-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-101927
s1c2c(CCCCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)OCCC	PC-id_27520901	380.478	ALIXTXGUJQEIDT-GFCCVEGCSA-M	00000000100000000100000000000010000000000000000000000000	31-01-101928
s1c2c(CCCCC2)c(c1NC(=O)C[C@@H](CC(=O)[O-])C)C(=O)OCCC	PC-id_27520903	380.478	ALIXTXGUJQEIDT-LBPRGKRZSA-M	00000000100000000100000000000010000000000000000000000000	31-01-101929
s1c2c(CCCCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)OCC	PC-id_40438125	380.478	MOUFYZSHORGNBI-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-101930
c1ccc2-c(cc1)c(cc2/C=C/1C=Cc2c1cccc2)/C=C/1C=Cc2c1cccc2	PC-id_101565322	380.48	MABHKRPEYURDTI-KBQFLUNPSA-N	00000011100000100110000000001010000000000000000000000000	31-01-101931
Cc1cc(C)cc(c1)C(=O)N1CCCC(C1)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99330202	380.48	RVWBQDOCORATQQ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-101932
CCC(C)c1cc2=CC(=CC=C=c2n1CC(=NC(=CC)C(=O)OC)C=C)OC	PC-id_88575359	380.48	DOBQVLQXCJTJAC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-101933
CC(C)N(C)Cc1ncn2c1CN(S(=O)(=O)c1ccccc1F)CCC2	PC-id_97519352,ZINC22_96259268,EMOLS-id_44370082	380.48	DCAWCAPFMAZCAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101934
CN(C(C)C)Cc1ncn2c1CN(CCC2)S(=O)(=O)c1ccc(cc1)F	PC-id_97519351	380.48	YVTPMIDHZVXUOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101935
CN(C(C)C)Cc1ncn2c1CN(CCC2)S(=O)(=O)c1cccc(c1)F	PC-id_97519353	380.48	YWJYTNWQAKAMGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101936
COC1=CC=C=c2c(=C1)cc(n2C/C(=N/C(=CC)/C(=O)OC)/C=C)C(CC)C	SCHEMBL10187007	380.48	DOBQVLQXCJTJAC-MCAGNDCHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-101937
OCCCc1c2c([nH]c1/C=C
/c3c(NC1=O)cccc3CCO)CCCCC2	PC-id_60113728,SCHEMBL6696085	380.48	VWMGVCAUMFUZTM-JXAWBTAJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-101938
OCCCc1c2c([nH]c1C=C1c3c(NC1=O)cccc3CCO)CCCCC2	PC-id_72651818	380.48	VWMGVCAUMFUZTM-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-101939
c1(sc2c(CCCCC2)c1C(=O)N)NS(=O)(=O)c1cccc(OC)c1	CoCoCo_923495,PC-id_2938042,ZINC22_4884947,MCULE-2835626087,EMOLS-id_13327366	380.482	GZOBDFLGKAJXAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101940
CCOC(=O)c1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807945	380.482	ZTCWHUXTKGWKJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101941
COc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_24165741,CoCoCo_3538104,PC-id_25689095,MCULE-3536728000	380.482	JKRBYOKVXQQTPO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101942
COC(=O)c1ccc(c(c1)S(=O)(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112814881	380.482	VAGFLLHYKVBQSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101943
N#Cc1ccc(cc1)/C=C/c1c(C)c2c(n1Cc1ccccc1)CCCCC2=O	PC-id_102139457	380.482	FIJFIOWOMMPGPF-FOCLMDBBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101944
O=C(C(c1ccccc1)c1ccccc1)c1c(NC(C)C)nc2-c1ccccc2	PC-id_10643510	380.482	SLXGSYHCNAGECD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-101945
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N)ccc1OC	PC-id_51281130	380.482	JCCHQBOPHKUNTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101946
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N)c(OC)cc1	PC-id_4879117	380.482	NZSQVLRMPMRCTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101947
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1O)C	PC-id_60492906	380.482	KRXHDAHKZWSRSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101948
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)cccc1	PC-id_51170311	380.482	SFWRUICNXQBGMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-101949
s1c2c(CCCCC2)c(c1NC(=O)Cn1c(csc1=O)C)C(=O)OC	PC-id_78802389	380.482	CFKOAYYYGBQRNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-101950
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cc1)C(=O)C	MCULE-4696283397,ZINC22_92028229,PC-id_72932017,EMOLS-id_46093523	380.483	LFVKLOHIVKPGPF-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-101951
c12CN(CCCn1nc(CNC(=O)c1ccccc1CC)c2)C(=O)C1CCC1	ZINC22_82137212,PC-id_70765879,MCULE-8778637282,EMOLS-id_44444825	380.483	JTZHLUKMBVUIRC-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-101952
c12CN(CCCn1nc(CNC(=O)c1cc(C)ccc1C)c2)C(=O)C1CCC1	EMOLS-id_46081323,ZINC22_91871739,MCULE-1306283398,PC-id_72915258	380.483	RXPWHOSZKZRLPM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-101953
c12CN(CCCn1nc(CNC(=O)Cc1cccc(C)c1)c2)C(=O)C1CCC1	PC-id_72854095,EMOLS-id_46037065,MCULE-3479347119,ZINC22_91391365	380.483	LGZJLNRAIALDRR-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-101954
c12CN(CCCn1nc(CNC(=O)CCc1ccccc1)c2)C(=O)C1CCC1	MCULE-5821517668,PC-id_72863599,EMOLS-id_46043779,ZINC22_91475467	380.483	DKJJAPFSELSOAB-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-101955
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCC1)c2)Cc1ccc(cc1)C	EMOLS-id_32846140,MCULE-7796191084,PC-id_50797855	380.483	QFYXBFDSOOHUTB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101956
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCC1)c2)Cc1cccc(C)c1	PC-id_53034581,MCULE-5210131147,EMOLS-id_32633184	380.483	ILPDAXMCKCGAAH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101957
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCCC1)c2)Cc1ccccc1	MCULE-5463198675,PC-id_50798103,EMOLS-id_32845996	380.483	PRXZHKKYRHBQME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101958
c1(C(=O)Nc2ccc(cc2)NC(=O)C2CCCCC2)c2CCCCCc2[nH]n1	MCULE-2504755695,EMOLS-id_335133321	380.483	KQFIGMZRXZOTTN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101959
c1(C(=O)NC2=C(N(NC2C)Cc2ccccc2C)C)c2CCCCCc2on1	PC-id_17253369,EMOLS-id_21980281,MCULE-5598633360	380.483	MULOFLHNPDCUBP-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-101960
Cc1ccc(cc1)C(=O)N1CCCC(C1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670037	380.483	WQWMOKPFYMDZQY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101961
Cc1cccc(c1)C(=O)NC1CCN(CC1)C(=O)c1cnc2n1CCCCC2	MCULE-9419558123,EMOLS-id_320081131	380.483	WCSSZPNGQMCANE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101962
Cc1cccc(c1)C(=O)NC1CCN(CC1)C(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_316668052	380.483	MCWQOJOMONBNNM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101963
CC1=C(NC(=O)c2noc3c2CCCCC3)[C@@H](C)NN1Cc1ccccc1C	PC-id_28924999,ZINC22_20418472	380.483	MULOFLHNPDCUBP-OAHLLOKOSA-N	00000011100000110101000000000010000000000000000000000000	31-01-101964
CC1=C(NC(=O)c2noc3c2CCCCC3)[C@H](C)NN1Cc1ccccc1C	ZINC22_20418471,PC-id_28924998	380.483	MULOFLHNPDCUBP-HNNXBMFYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-101965
CCCc1ccc(cc1)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	EMOLS-id_44370284,PC-id_97519452,ZINC22_96259368	380.483	TVKWLKLQKLXCAG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-101966
CC(C[C@@H](N1Cc2c(C1=O)cccc2)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_278918414	380.483	JIXNYJGCXUVZQY-HXUWFJFHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101967
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)CCCc1c[nH]c3ccccc13)C2	PC-id_100067395,ZINC22_221364247	380.483	ONLULSXWFFERCF-NRFANRHFSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101968
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCCc1c[nH]c3ccccc13)C2	PC-id_100067396,ZINC22_221364306	380.483	ONLULSXWFFERCF-OAQYLSRUSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101969
CCC(O)c1cc2CN(CCCn2n1)C(=O)CCCc1c[nH]c2ccccc12	EMOLS-id_50547005,PC-id_90653090,MCULE-4491805588	380.483	ONLULSXWFFERCF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-101970
CCN1CCN(CC1)C(=O)c1ccc2n1CCCN(C2)C(=O)c1ccccc1	EMOLS-id_317417311,MCULE-9447923388	380.483	DRZGUSBWLMOGQQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101971
CC(NC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)C)C	SCHEMBL19702789	380.483	HYXZBWGPAUJYRM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-101972
Cn1ccc2c1C(=NCCC2=O)OCCCN1CCN(CC1)c1ccccc1	SCHEMBL6986946,PC-id_20083223	380.483	CZXLUJSZEQKFIG-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-101973
Cn1ccc2c1C(=O)N(CCCN1CCN(CC1)c1ccccc1)CCC2=O	SCHEMBL6994421,PC-id_10667492	380.483	TVRPMCJJKKFNHP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-101974
CN1CCC(C1=O)(Cc1ccccc1)C(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318046922	380.483	XNNBETKSIIEWAT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-101975
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc(c3ccco3)c1)C2	PC-id_100058324,ZINC22_220419550	380.483	NUINRQLQWUTBTQ-OAQYLSRUSA-N	00000000101000110101100000000010000000000000000000000000	31-01-101976
CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1cccc(c3ccco3)c1)C2	PC-id_100058325,ZINC22_220419604	380.483	NUINRQLQWUTBTQ-NRFANRHFSA-N	00000000101000110101100000000010000000000000000000000000	31-01-101977
CN(C)CC(O)c1cc2CN(Cc3cccc(c3)c3ccco3)CCCn2n1	EMOLS-id_50537303,MCULE-6467028143,PC-id_90650469	380.483	NUINRQLQWUTBTQ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-101978
COc1cc(ccc1OCCC(C)C)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3456432,PC-id_8106786	380.483	VGFLKHXFBCBPHT-QGOAFFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-101979
COc1cc(ccc1OCCC(C)C)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3456433	380.483	VGFLKHXFBCBPHT-AQTBWJFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-101980
COc1cc(ccc1OCCC(C)C)C=C(c1nnc2n1CCCCC2)C#N	MCULE-4424248555,EMOLS-id_26092947,PC-id_72084728	380.483	VGFLKHXFBCBPHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101981
N1(CCCCC1C(=O)NCc1c2CCCCCc2[nH]n1)C(=O)c1ccccc1	MCULE-5064782321,EMOLS-id_222769900	380.483	ZCHRWOQGMYCTDH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101982
o1c2c(c(CC(=O)NCc3n4CCCCCc4nn3)c1)cc(C(C)C)c(c2)C	PC-id_51266285	380.483	UZAVUMHNBVJJJM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-101983
O(c1c(C=C(c2n3CCCCCc3nn2)C#N)ccc(OCCC)c1)CCC	PC-id_84857086	380.483	JERSBSPNWOJEIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101984
O(c1c(/C=C(/c2n3CCCCCc3nn2)C#N)ccc(OCCC)c1)CCC	PC-id_8863040	380.483	JERSBSPNWOJEIR-NBVRZTHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101985
Oc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)ccn2C	PC-id_22737933,SCHEMBL6773781	380.483	QYQHTCKOJKDRQU-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-101986
Oc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)cn(c2)C	SCHEMBL6773737,PC-id_22737936	380.483	YPYALQBKJDNQFJ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-101987
O(c1c(OCC)cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)CCCC	PC-id_52440942	380.483	IQUSHTLIZALNST-JXAWBTAJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101988
O(c1c(OCC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1)CCCC	PC-id_75848313	380.483	IQUSHTLIZALNST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101989
O(c1c(OCC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)CCCC	PC-id_8275429	380.483	IQUSHTLIZALNST-NBVRZTHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101990
O=C1N(CCCN2CCN(CC2)c2ccccc2)CCC(=O)c2c1ccn2C	SCHEMBL6771012,PC-id_10714807	380.483	FDXCLXWMESEHEP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-101991
O=C(C1(C)CCCN(C1)C(=O)c1ccccc1)N1CCCc2c(C1)cnn2C	EMOLS-id_101673020	380.483	PGMVWRBTDVHHLC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101992
O(CC(C)C)c1c(OCC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_78565663	380.483	MSPKKAHBLXWXIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101993
O(CC(C)C)c1c(OCC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_7911814	380.483	MSPKKAHBLXWXIC-LDADJPATSA-N	00000000100000110101000000000010000000000000000000000000	31-01-101994
O=C(N1C(C)Cc2c1cccc2)CCCNC(=O)c1[nH]nc2c1CCCCC2	MCULE-4910113108,PC-id_46963570,SYN-15591531	380.483	WVGFXPDEIWTXLN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101995
O=C(N1CCCc2c(C1)cnn2C)NC1c2ccccc2CC21CCOCC2	EMOLS-id_101688557	380.483	UCPMJLIPSUZVOZ-UHFFFAOYSA-N	00000010100010100101000000000010000000000000000000000000	31-01-101996
O=C(N1[C@H](Cc2c1cccc2)C)CCCNC(=O)c1n[nH]c2c1CCCCC2	CoCoCo_475339,CoCoCo_475341,PC-id_51495304	380.483	WVGFXPDEIWTXLN-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101997
O=C(N1[C@@H](Cc2c1cccc2)C)CCCNC(=O)c1n[nH]c2c1CCCCC2	PC-id_51495303,CoCoCo_475342,CoCoCo_475340	380.483	WVGFXPDEIWTXLN-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-101998
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCCCN1C(=O)c1ccccc1	ZINC22_670452204	380.483	ZCHRWOQGMYCTDH-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-101999
O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CCCCN1C(=O)c1ccccc1	ZINC22_670452205	380.483	ZCHRWOQGMYCTDH-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102000
c1(NC(=O)CSc2cnn[nH]2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_98086769,SPECS-id_AN-153/PE02520,MCULE-8576269862,PC-id_73254481,EMOLS-id_49399095	380.485	NBSBNUQMONQSQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102001
c1(NC(=O)CSc2n[nH]cn2)sc2c(CCCCC2)c1C(=O)OCC	SPECS-id_AO-476/42502631,CoCoCo_1007758,ChEMBL-DNDi_CHEMBL7857967,CoCoCo_1007757,MCULE-1243274737,PC-id_2959425,EMOLS-id_2004734,CoCoCo_1007759,ZINC22_4748918	380.485	GZHWBTGYLDXSLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102002
COC(=O)c1c2CCCCCCc2sc1NC(=O)CSc1nnc[nH]1	ZINC22_4770777,EMOLS-id_6831056,TIMTEC46326,MCULE-1811449801,PC-id_5303849	380.485	AKSPZQGNEKAYTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102003
COC(=O)c1c(NC(=O)CSc2nncn2C)sc2c1CCCCC2	ZINC22_3395235,CoCoCo_3047547,EMOLS-id_5115901,MCULE-3724333048,PC-id_2513747	380.485	QEKVNINSTQHWCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102004
CS(=O)(=O)c1ccccc1NC(=O)CSc1nnc2n1CCCCC2	CoCoCo_4173129,MCULE-3139998558,EMOLS-id_11938623,ZINC22_8882726,PC-id_17412038	380.485	SKAQBZBDRJDDBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102005
CS(=O)(=O)c1cccc(NC(=O)CSc2nnc3n2CCCCC3)c1	ZINC22_8313293,ChEMBL-DNDi_CHEMBL1407651,PC-id_9438691,CHEMBL1407651,CoCoCo_4173128,EMOLS-id_11765885,MCULE-7113930736	380.485	BDHKRGIMQKGEFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102006
CS(=O)(=O)Nc1ccc(C(=O)CSc2nnc3n2CCCCC3)cc1	CoCoCo_3654379,ZINC22_6647630,MCULE-5270641328,EMOLS-id_3521030,PC-id_8023378	380.485	RNIDCFXMPVXHOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102007
O=C1CCCN1Cc1ncn2c1CN(S(=O)(=O)c1cccs1)CCC2	PC-id_97519465,EMOLS-id_44370310,ZINC22_96259381	380.485	UHSDWIXWDNUBEG-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-102008
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccc(cc1)NS(=O)(=O)C	CoCoCo_3654381,CoCoCo_3654382	380.485	BJNZXXNPXQAMRZ-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102009
O/C(=CSc1nnc2n1CCCCC2)/c1ccc(cc1)NS(=O)(=O)C	CoCoCo_3654383,CoCoCo_3654380	380.485	BJNZXXNPXQAMRZ-KAMYIIQDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102010
O=C(N1CCCc2c(C1)ccs2)COc1nsnc1N1CCOCC1	EMOLS-id_319564841	380.485	WWMGHQSVDYRHLQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-102011
s1c2CCCCCc2c(c1NC(=O)CSC1NC(O)CC(=O)N1)C#N	PC-id_73380450	380.485	SUFWGAASRLGERD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102012
s1c2c(CCCCC2)c(c1NC(=O)CSCc1nc(on1)C)C(=O)N	PC-id_55732694	380.485	MGVWSIPEUAZRSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102013
c12CN(CCCn1nc(CN1C[C@H]3C[C@@H]1CCC3)c2)C(=O)c1cnc(cn1)C	PC-id_56885993,ZINC22_72433051,EMOLS-id_313065589,MCULE-4635595515	380.487	FSJVUSFBONRHHG-AEFFLSMTSA-N	00000010100010100101000000000110000000000000000000000000	31-01-102014
c12CN(CCCn1nc(CN(C)C)c2)Cc1nccn1c1ccc(cc1)OC	PC-id_56901622,ZINC22_72436735,EMOLS-id_43134822,MCULE-9268903830	380.487	JEMFGQFZLADHBL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102015
c1(c2ccccc2n(C)c1)C(=O)NC(CC(C)C)c1nnc2CCNCCn12	PC-id_56704387,MCULE-2850915897	380.487	GKCOQMAPUACFSJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102016
c1(C(=O)Nc2ccc3c(c2)ncn3CCCN(C)C)c2CCCCCc2n[nH]1	EMOLS-id_50404102,PC-id_75356933,MCULE-7937142474,EMOLS-id_49247092,ZINC22_96230945,STOCK7S-46307	380.487	FAHSREBDFPWOHA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102017
Cc1cnc(C(=O)N2CCCn3nc(CN4C[C@H]5CCC[C@@H]4C5)cc3C2)cn1	ZINC22_215169511	380.487	FSJVUSFBONRHHG-FUHWJXTLSA-N	00000010100010100101000000000110000000000000000000000000	31-01-102018
CCCc1nc2ccccc2n1C(C)C(=O)NCc1cc2CNCCCn2n1	PC-id_70746754,EMOLS-id_44438299,MCULE-7121893088	380.487	SPZLGXCRGDAOCO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102019
CCCc1nc2ccccc2n1[C@@H](C)C(=O)NCc1cc2n(n1)CCCNC2	PC-id_96576597,ZINC22_82120133	380.487	SPZLGXCRGDAOCO-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102020
CCCc1nc2ccccc2n1[C@H](C)C(=O)NCc1cc2n(n1)CCCNC2	PC-id_96576598,ZINC22_82120134	380.487	SPZLGXCRGDAOCO-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102021
CC(C)Cc1nc2ccccc2n1CC(=O)NCc1nnc2n1CCCCC2	CoCoCo_503704,PC-id_46975646,ZINC22_19719126	380.487	RUVZEUDMFSDZHM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102022
CC(C)C[C@H](NC(=O)c1cn(C)c2ccccc12)c1nnc2n1CCNCC2	PC-id_95197147,ZINC22_67642729	380.487	GKCOQMAPUACFSJ-KRWDZBQOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102023
CC(C)C[C@@H](NC(=O)c1cn(C)c2ccccc12)c1nnc2n1CCNCC2	ZINC22_67642731,PC-id_95197148	380.487	GKCOQMAPUACFSJ-QGZVFWFLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102024
CCNC(=NCc1nnc2n1CCCCC2)NCc1oc2c(c1C)cccc2	PC-id_111603681	380.487	KJUYGNXUHNLLNC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102025
CN(CC(c1nn2c(c1)CN(CCC2)Cc1c[nH]nc1c1ccccc1)O)C	PC-id_90648406,MCULE-6456366577,EMOLS-id_50529705	380.487	JCGAFRLQTXGZBI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102026
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc(n3cccn3)c1)C2	ZINC22_218882803,PC-id_100028895	380.487	HOFPLEVGHQMWQQ-OAQYLSRUSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102027
CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1cccc(n3cccn3)c1)C2	ZINC22_218882878,PC-id_100028898	380.487	HOFPLEVGHQMWQQ-NRFANRHFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102028
CN(C)CC(O)c1cc2CN(Cc3cccc(c3)n3cccn3)CCCn2n1	EMOLS-id_50529169,PC-id_90648250,MCULE-5664502268	380.487	HOFPLEVGHQMWQQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102029
CN(C[C@H](c1nn2c(c1)CN(CCC2)Cc1cn[nH]c1c1ccccc1)O)C	PC-id_100030935	380.487	JCGAFRLQTXGZBI-HXUWFJFHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102030
CN(C[C@@H](c1nn2c(c1)CN(CCC2)Cc1cn[nH]c1c1ccccc1)O)C	PC-id_100030937	380.487	JCGAFRLQTXGZBI-FQEVSTJZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102031
CN=C(NCc1oc2c(c1C)cccc2)NCCc1nnc2n1CCCCC2	PC-id_111603377	380.487	ZSUOHXDJNCJNKQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102032
COc1ccc(CN(C)C2CCc3nnc(C)n3CC2)cc1Cn1ccnc1	EMOLS-id_97099880,MCULE-2145587270	380.487	FZUVYWQOEAXDSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102033
n12CCN(CCc1nnc2CCNC(=O)c1cccnc1)CC1CCC=CC1	PC-id_45184301,MCULE-3726132323,EMOLS-id_20460031	380.487	ZFUUDGJNJDCJRX-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-102034
O=C(N1Cc2n(nc(CN3C4CC(C3)CCC4)c2)CCC1)c1ncc(nc1)C	PC-id_76423780	380.487	FSJVUSFBONRHHG-UHFFFAOYSA-N	00000010100010100101000000000110000000000000000000000000	31-01-102035
O=C(N1CCCCCC1C=Cc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102165073	380.487	SPLFQIRICRSDJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102036
O=C(NC(c1n2CCN(CCc2nn1)Cc1[nH]c2c(c1)cccc2)C)C(C)C	PC-id_45165714	380.487	VJONPRIFJJPYQX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102037
O=C(NCCc1nnc2n1CCN(C[C@H]1CC=CCC1)CC2)c1cccnc1	CoCoCo_1214195,CoCoCo_1214197,ZINC22_11995773	380.487	ZFUUDGJNJDCJRX-KRWDZBQOSA-N	00000000100011101101000000000010000000000000000000000000	31-01-102038
O=C(NCCc1nnc2n1CCN(C[C@@H]1CC=CCC1)CC2)c1cccnc1	CoCoCo_1214196,CoCoCo_1214194,ZINC22_11995774	380.487	ZFUUDGJNJDCJRX-QGZVFWFLSA-N	00000000100011101101000000000010000000000000000000000000	31-01-102039
CCC1C=CN=C(c2c1n(CC[C@H]1CC[C@H](O1)Cc1ccc(cc1)F)cc2)C	PC-id_145143935	380.498	UALVAMHNYDDLOD-WXPBMIAQSA-N	00000010100000110110000000000010000000000000000000000000	31-01-102040
COC(=O)c1c(NC(=O)N2CCCC(CC2)(C)O)sc2c1CCCCC2	EMOLS-id_111329876	380.502	YWDRLACVAXVTDB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102041
OC(=O)CN(CC1OCCN(C1)C(=O)c1sc2c(c1)CCCCCC2)C	PC-id_120442012	380.502	OWTULSQDAAXBJQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102042
s1c2CCCCCc2cc1C(=O)OCC(=O)N(CC(=O)NC(C)(C)C)C	PC-id_9402935	380.502	HAULWJJRHHIZOE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102043
s1c2c(CCCCC2)c(c1NC(=O)CCCCCNC(=O)C)C(=O)OC	PC-id_52638651	380.502	VAHHOYSOIVYARW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102044
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCOCC1)C(=O)OCC	PC-id_3270478	380.502	HMNHNURYUJENOT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102045
s1c2c(CCCCC2)c(c1NC(=O)CN1C[C@@H](O[C@@H](C1)C)C)C(=O)OC	PC-id_8900265	380.502	RJPLDCNMWXUTDG-BETUJISGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102046
s1c2c(CCCCC2)c(c1NC(=O)CN1C[C@@H](O[C@H](C1)C)C)C(=O)OC	PC-id_8900268	380.502	RJPLDCNMWXUTDG-STQMWFEESA-N	00000000100010000101000000000010000000000000000000000000	31-01-102047
s1c2c(CCCCC2)c(c1NC(=O)CN1C[C@H](O[C@@H](C1)C)C)C(=O)OC	PC-id_8900272	380.502	RJPLDCNMWXUTDG-CHWSQXEVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102048
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(OC(C1)C)C)C(=O)OC	PC-id_22198231	380.502	RJPLDCNMWXUTDG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102049
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s1c2CCCCCCc2cc1C(=O)N(CC(=O)Nc1cc(ccc1)C#C)C	PC-id_52659673	380.503	KWHUJQPOXAXSMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102052
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)CCC(C)c1ccc(C)o1	PC-id_72897538,EMOLS-id_46068405,MCULE-9742979998	380.505	WLHHQCKBSYVXSZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-102053
c1(NC(=O)CCC(=O)N2CCN(CC2)CCO)sc2c(CCCCC2)n1	MCULE-9276245984,EMOLS-id_334732010	380.505	PQAJNEUXVRBUJI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102054
c1(NC(=O)CCC(=O)NCCN2CCOCC2)sc2c(CCCCC2)n1	MCULE-2475879954,EMOLS-id_334988394	380.505	WTPQKQBAYRBTSP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102055
Cc1ccc([C@@H](C)CCN2CCCn3nc(CNS(=O)(=O)C)cc3C2)o1	PC-id_97136619,ZINC22_91695729	380.505	WLHHQCKBSYVXSZ-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-102056
Cc1ccc([C@H](C)CCN2CCCn3nc(CNS(=O)(=O)C)cc3C2)o1	ZINC22_91695730,PC-id_97136620	380.505	WLHHQCKBSYVXSZ-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-102057
Cc1scc(n1)c1ccc(s1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99299326	380.505	YUVQITSLAPRENL-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-102058
CCC(C(=O)N1CCOCC1)NC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101100965	380.505	CDNXYHNJSUBWBW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102059
CCN(C1CC(C1)NC(=O)Nc1sc2c(n1)CCCCCC2)CC(=O)O	PC-id_122092689	380.505	AXTFTXSHWGGCKW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-102060
CCSCCN(C1CCCCC1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135098683	380.505	MLHMWUJIQHBJOQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102061
O=C(c1n[nH]c2c1CCCCC2)N1CCN(CC1)CC1CCCS1(=O)=O	EMOLS-id_316545465	380.505	VJLVQOGOPINVFN-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-102062
O=C(CS(=O)(=O)c1nnc2n1CCCCC2)NC(C1CC2CC1CC2)C	EMOLS-id_99284896	380.505	XLGAQLHQTXWEFH-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-102063
c1(C(O)C2CC2)cc2n(CCCN(Cc3scc(c4ccccc4)n3)C2)n1	PC-id_91778473,EMOLS-id_55655338,MCULE-6548209130	380.506	HPRJVAVKLKWVHL-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-102064
c1(csc(Cc2ccccc2)n1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_44431055,PC-id_70726354,ZINC22_82099650,MCULE-8331360173	380.506	BPRQIGWFXGDESD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102065
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1c1ccccc1	PC-id_4803988,ZINC22_6831162,EMOLS-id_3473602,CoCoCo_3081640,CHEMBL4563699,MCULE-1418426001	380.506	GJVSHUAPPLQUJA-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-102066
Cc1nccn1c1cc(CNC(=O)c2cc3c(s2)CCCCCC3)ccn1	EMOLS-id_35710410,MCULE-4938902315,PC-id_53509947,ZINC22_60576208	380.506	AASRWNJTQZGKIX-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102067
Cc1nn(c(C)c1CC(=O)Nc1nc2CCCCCc2s1)c1ccccc1	MCULE-9316254998,EMOLS-id_323378277	380.506	BMGGPLZZJPWDFZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102068
CCc1n(ncc1C(=O)Nc1nc2c(s1)CCCCC2)Cc1ccccc1	PC-id_112823728	380.506	IQURKIMMMGWURM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102069
C=N/N=C(/c1ccccc1C)OCc1sc2=NC(=C(CC(=c2c1N)C)C)C	PC-id_143185908	380.506	AIVBHFYUSBXTFZ-QQTULTPQSA-N	00000000100000110110000000000010000000000000000000000000	31-01-102070
N#Cc1cccnc1N1CCCN(C(=O)c2cc3c(s2)CCCCC3)CC1	MCULE-8882235105,ZINC22_55740342,EMOLS-id_44546642,PC-id_71886994	380.506	WITDJFPYXWXODV-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102071
N#Cc1ccnc(c1)N1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110850683	380.506	UFOZLNBHEHHIDL-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-102072
N#Cc1c(NC(=O)CN2CCCC2c2ccncc2)sc2c1CCCCC2	EMOLS-id_98244286	380.506	IPHOXABAOWPLQJ-UHFFFAOYSA-N	00000010100000101100100000000010000000000000000000000000	31-01-102073
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)c1ccccc1)C	CoCoCo_3081641,CoCoCo_3081644	380.506	KZOQERVSARPJQB-RGEXLXHISA-N	00000000110000110101100000000010000000000000000000000000	31-01-102074
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)c1ccccc1)C	CoCoCo_3081643,CoCoCo_3081642	380.506	KZOQERVSARPJQB-XMHGGMMESA-N	00000000110000110101100000000010000000000000000000000000	31-01-102075
O[C@@H](c1cc2n(n1)CCCN(Cc1nc(c3ccccc3)cs1)C2)C1CC1	PC-id_100058064,ZINC22_220405029	380.506	HPRJVAVKLKWVHL-OAQYLSRUSA-N	00100000100000110101100000000010000000000000000000000000	31-01-102076
O[C@H](c1cc2n(n1)CCCN(Cc1nc(c3ccccc3)cs1)C2)C1CC1	ZINC22_220405094,PC-id_100058066	380.506	HPRJVAVKLKWVHL-NRFANRHFSA-N	00100000100000110101100000000010000000000000000000000000	31-01-102077
s1c2CCCCCc2cc1C(=O)N(C(c1ccc(n2ncnc2)cc1)C)C	PC-id_85018481	380.506	JEOJFDLMQKBLBI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102078
s1c2CCCCCc2cc1C(=O)N([C@H](c1ccc(n2ncnc2)cc1)C)C	PC-id_9471036	380.506	JEOJFDLMQKBLBI-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102079
s1c2CCCCCc2cc1C(=O)N([C@@H](c1ccc(n2ncnc2)cc1)C)C	PC-id_9471037	380.506	JEOJFDLMQKBLBI-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102080
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1ncccc1C#N	PC-id_55455341	380.506	OYZGGWMNTUPUDM-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-102081
s1c2CCCCCCc2cc1C(=O)Nc1nn(CCc2ccncc2)cc1	PC-id_56317547	380.506	LRFHHHGHDXNFCU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102082
s1c2CCCCCCc2cc1C(=O)NCc1ccc(n2c(ncc2)C)nc1	PC-id_52692577	380.506	LOTOUOFRPNUFKS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102083
s1c2CCCCCCc2cc1C(=O)NCc1cc(Cn2ncnc2)ccc1	PC-id_55751547	380.506	MIQDBYWZZFKUMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102084
s1c2CCCCCCc2cc1C(=O)NCc1c(Cn2ncnc2)cccc1	PC-id_55619269	380.506	GNFUYKHGSOGXGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102085
s1c(C(=O)NCCc2n3CCCCCc3nn2)c(c2ccc(cc2)C)cc1	PC-id_51307493	380.506	ZKTVXGNZLVDVDT-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-102086
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1c[nH]c(CCCC)n1	PC-id_72842944,ZINC22_91849038,MCULE-5325958351,EMOLS-id_46028909	380.508	NRBAZZDSZYDHPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102087
c1(CN2CCCn3nc(CNS(=O)(=O)C)cc3C2)c(C)nn(CC)c1C	EMOLS-id_44436923,ZINC22_82115021,MCULE-9694194085,PC-id_70742789	380.508	HCIJBDNJPZOGDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102088
CN(C)C(=O)CN1CCN(C(=O)CSc2nnc3n2CCCCC3)CC1	EMOLS-id_13484106,CoCoCo_3854810,MCULE-3926610253,ZINC22_36389905,PC-id_17562918	380.508	NOVQOSGDWYXJHE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102089
O=C(N1CCOCC1)N1CCN(Cn2nc3n(c2=S)CCCCC3)CC1	MCULE-7761361447,EMOLS-id_27383617,CoCoCo_4554485,PC-id_26026928,ZINC22_14302420	380.508	ZEZJNCWJRZBRGP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102090
CCc1nn(c2c1C(CCCOCCC2)O)C[C@@H](C)COC1CCCCO1	PC-id_135141672,SCHEMBL20288701	380.522	FNCOUPAYRQRYLI-PBPGXSGUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102091
CN(c1ccc(cc1)C(c1ccc2-c1ccccc2)c1ccc(cc1)N(C)C)C	SCHEMBL8052444,PC-id_15778690	380.525	BEBXFYZEJSRETR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-102092
N#Cc1c(sc2c1CCCCCC2)NC(=O)C1(CCCC1)S(=O)(=O)C	EMOLS-id_110945820	380.525	BYBYCDFSTOGJLW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-102093
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+](CCOC)CCOC)C#N	PC-id_33483914	380.525	WJTHPLRNNXEIAF-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-102094
s1c2c(CCCCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC)C(=O)OC	PC-id_51608421	380.525	FEQSMJPRVSZMQW-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-102095
s1c2c(CCCCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)OCC	PC-id_51604048	380.525	YJJOEYXVKFWLAF-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-102096
s1c2c(CCCCCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)OC	PC-id_51604781	380.525	PWKGYPQQFWSAFW-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-102097
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cc1)C(C)C	EMOLS-id_46050895,ZINC22_91574445,PC-id_72873508,MCULE-2879821464	380.526	HYFDQJOFKMWBSG-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-102098
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1c(C)cc(cc1C)C	PC-id_72843675,EMOLS-id_46029453,ZINC22_91973895,MCULE-6088357206	380.526	DMSNXFHDVASVRX-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-102099
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1c(C)cc(c(C)c1)C	EMOLS-id_46057497,MCULE-9332033246,PC-id_72882665,ZINC22_91625889	380.526	HKEVQCBNVCFTQS-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-102100
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CCC(C)c1ccccc1	PC-id_72936281,MCULE-2714292784,EMOLS-id_46096665	380.526	JBOVYZSOPRYVIR-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-102101
c1(ccc2CN(CCCn12)Cc1ccccc1)C(=O)N1CCN(CC1)C(C)C	MCULE-8611307011,EMOLS-id_317419098	380.526	RYPUJAAQEDEZSG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102102
c1(ccc2CN(CCCn12)Cc1ccccc1)C(=O)N(C)C1CCN(CC1)C	EMOLS-id_317418842,MCULE-5701743491	380.526	HWFOCRARYZWLOD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102103
CCOC(=O)c1cc(c2-c1ccc(cc2)N=Nc1ccc(cc1)OC)C(=O)OCC	PC-id_101760652	406.431	NUPJJJVDVUWZHI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-117491
Cc1cn(c2c1C(=O)N(CCCN1CCN(CC1)c1ccccc1)CCC2)C	SCHEMBL6775829,PC-id_22738074	380.526	OZIJQLOMWZUGKT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102104
CC(C)c1ccc(C2(C(=O)NCc3nnc4n3CCCCC4)CCCC2)cc1	EMOLS-id_320357383,ZINC22_170976976,PC-id_138998701,MCULE-8665134416	380.526	BZCSTISPNODAPM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102105
CCC(c1nnc2n1CCCCC2)NC(=O)C1CCC(CC1)c1ccccc1	EMOLS-id_99748120	380.526	MILGKXOHMMHULR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102106
C[C@@H](CCN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)c1ccccc1	PC-id_97154507,ZINC22_92062059	380.526	JBOVYZSOPRYVIR-SFHVURJKSA-N	00001000100000110101000000000010000000000000000000000000	31-01-102107
C[C@H](CCN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)c1ccccc1	PC-id_97154508,ZINC22_92062060	380.526	JBOVYZSOPRYVIR-GOSISDBHSA-N	00001000100000110101000000000010000000000000000000000000	31-01-102108
CCn1cc2c(c1)C(=O)N(CCC2)CCCN1CCN(CC1)c1ccccc1	PC-id_22737905,SCHEMBL6774117	380.526	VDIMJFHAEUQVQC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102109
CCn1ccc2c1CCCN(C2=O)CCCN1CCN(CC1)c1ccccc1	SCHEMBL6774552,PC-id_22738009	380.526	XPZGNGXAYFWSRF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102110
n12CCCN(Cc3ccccc3)Cc1ccc2C(=O)NCCN1CCCCC1	EMOLS-id_317417562,MCULE-3358373759	380.526	KROFQDFDFBXUDL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102111
O=C(NCCc1n2CCCCCc2nn1)C1(CC1)c1ccc(cc1)C(C)(C)C	PC-id_55618412	380.526	WVCBSTHQGTXSBJ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-102112
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s1c(C(=O)N2CC[NH+](CC2)Cc2ccc(cc2)C#N)cc2CCCCCc12	PC-id_9459914	380.526	NBRGCYHRCYNDCN-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-102114
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1cccc(c1)SC	PC-id_70751234,MCULE-4270622872,ZINC22_82121200,EMOLS-id_44439829	380.528	BEVUXKAFVZFJRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102115
CCCCOCCOCCNC(=NCc1nnc2n1CCCCC2)NCC	PC-id_111693902	380.528	LLOGRHXTBIQWEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102116
CCCCOCCOCCNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111693086	380.528	GJFCHUFSDWYHLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102117
CCSc1nc(CC(=O)N2CCCn3nc(cc3C2)C(O)CC)cs1	PC-id_90653598,EMOLS-id_50548861,MCULE-2215493470	380.528	NCWIHEUGCJGBBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102118
CCSc1nc(CC(=O)N2CCCn3nc([C@H](O)CC)cc3C2)cs1	PC-id_100067814,ZINC22_221412079	380.528	NCWIHEUGCJGBBD-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102119
CCSc1nc(CC(=O)N2CCCn3nc([C@@H](O)CC)cc3C2)cs1	ZINC22_221412023,PC-id_100067813	380.528	NCWIHEUGCJGBBD-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102120
COCCOCCCNC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_111405245	380.528	VTEUUOMSSVODIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102121
c12CN(CCCn1nc(CN1CC[C@H]3N(C)[C@H](CC3)C1)c2)Cc1cccnc1	EMOLS-id_43137446,PC-id_56902527,MCULE-6190878229,ZINC22_72147075	380.53	YPBGLHQTGHXSQO-LEWJYISDSA-N	00000010100000101101000000000010000000000000000000000000	31-01-102122
C1CCN(CC1)C(=NCCCc1nnc2n1CCCCC2)Nc1ccccc1	PC-id_111093755	380.53	BKMACEWHVMGTSX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102123
C/C(=C/n1nnc2c1CCCCCC2)/C(=C/n1nnc2c1CCCCCC2)/C	PC-id_101095353	380.53	QJXNQKKJWJXZSU-JRDMOELTSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102124
CCNC(=NCC1(CC1)c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111856492	380.53	VLRFORDSEMWFIO-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-102125
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(C1)Cc1ccccc1	PC-id_111725079	380.53	MMCUJMPEJPUEMH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102126
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CCC1)c1ccccc1	PC-id_111855126	380.53	KDRSEGYTDJFSAM-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-102127
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(C1)c1ccccc1	PC-id_111723969	380.53	JBIINIQOJXUMRO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102128
CN1[C@H]2CC[C@@H]1CCN(Cc1cc3n(n1)CCCN(Cc1cccnc1)C3)C2	ZINC22_1565515824	380.53	YPBGLHQTGHXSQO-RTWAWAEBSA-N	00000010100000101101000000000010000000000000000000000000	31-01-102129
CN=C(N1CCC(C1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111723899	380.53	ICCPQWLLOARNEN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102130
CN=C(N1CCC(C1)Cc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111725139	380.53	FLOZEPCRXPTTQA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102131
CN=C(N1CCC(C(C1)C)c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_109543602	380.53	SXXSGLBWLRZYHS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102132
CN=C(N1CCC(CC1)Cc1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111152820	380.53	ORRPWQQFKCAAIZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102133
CN=C(NCC1(CC1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111856374	380.53	KZGDYGMTORPFGA-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-102134
CN=C(NCC1(CCC1)c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111855176	380.53	CMNQAOXDRGCRRZ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-102135
CN=C(NCC1(CCCC1)c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111852588	380.53	ZADRYESFIHZLAJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102136
N1(C2CCC1CN(CC2)Cc1nn2c(c1)CN(CCC2)Cc1cccnc1)C	PC-id_76436757	380.53	YPBGLHQTGHXSQO-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-102137
CCCCCCC1(CCCCCC)COc2c(OC1)c(sc2C=O)C=O	PC-id_101741122	380.541	SLCBMRRWTWXOPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102138
c1(NC(=O)CN(CCC)CCC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_2092273,ZINC22_5018007,PC-id_1242146,TIMTEC21742,TIMTEC260039,MCULE-7367328113,CoCoCo_678431	380.545	KFTGZRVNIVFWFS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102139
s1c2CCCCCc2cc1C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C	PC-id_56331872	380.545	JNQFJDVJIAZCSC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102140
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)CC=C(C)CC/C=C(/C)C	MCULE-2874381018,PC-id_77920234	380.548	BFSCOQNCEVDBQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102141
c1(NC(=O)CCC(=O)NCCCN(CC)CC)sc2c(CCCCC2)n1	MCULE-4516851331,EMOLS-id_334995812	380.548	DTCIBYMLCKLTMN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102142
CC(=CCC/C(=C/CN1CCCn2nc(CNS(=O)(=O)C)cc2C1)/C)C	EMOLS-id_44861274,ZINC22_82166742,PC-id_70786637	380.548	BFSCOQNCEVDBQY-RQZCQDPDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102143
O=C(N(CC(CN1CCOCC1)(C)C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_97779774	380.548	SPBHPJQKECFVMR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102144
s1c2c(CCCCC2)c(c1NC(=S)NCc1sccc1)C(=O)OC	PC-id_19653589	380.548	FBPIKFNHVVUOJB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-102145
CCCC1C=CC=c2c(=C1)ccn2CC1=NC(=CCS1)C(=N)N1CCCC1	PC-id_145324098	380.55	RHKTUJCEUUUWDP-UHFFFAOYSA-N	00000010100011000111000000000010000000000000000000000000	31-01-102146
CCCC1C=CC=c2c(=C1)ccn2Cc1scc(n1)C(=N)N1CCCCC1	PC-id_145324121	380.55	ZHIWEOAKOJSNMD-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-102147
CCS(=O)C1CCCC(C1)NC(=NC)NCc1nnc2n1CCCCC2	PC-id_109436915	380.551	ZWTPGPOVMONKNY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102148
S=c1n2c(nn1CN1CCN(CC1)CC(=O)NC(C)(C)C)CCCCC2	PC-id_9245115	380.551	XYHNPLGMPQBXLD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102149
C(c1c2-c(cc1)cc(C(C)C)ccc2C)c1c2-c(cc1)cc(C(C)C)ccc2C	PC-id_85990973	380.564	CLAVRZOLIKLUIK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-102150
C(c1ccc2-c(ccc2Cc2c3-c(ccc(C(C)(C)C)cc3)cc2)cc1)(C)(C)C	PC-id_10970932	380.564	LTQMIJCMZHPWEF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-102151
c1(NC(=S)NC2CCCCC2)sc2c(CCCCC2)c1C(=O)OCC	STOCK1S-77949,ZINC22_985711,MCULE-7047564987,SPECS-id_AJ-292/15366005,PC-id_1212742,CoCoCo_746562,EMOLS-id_2130269	380.568	ARRHGHKPVAWUFB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102152
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CCCCC1C	PC-id_3269494,TIMTEC307427,EMOLS-id_4058389,MCULE-1275010594	380.568	MGRNULQKFNSGOC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102153
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CCCC(C)C1	MCULE-3626245933,TIMTEC520952,PC-id_3303085,EMOLS-id_4058391	380.568	WESQHUPLAVTOHY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102154
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CCCCCC1	TIMTEC199153,EMOLS-id_4058387,PC-id_3269493,CoCoCo_6799914,ZINC22_5979962,MCULE-3971015128	380.568	HQFBEHFRCIKCHI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102155
CCOC(=O)c1c(NC(=S)N2CCCC[C@H]2C)sc2c1CCCCC2	CoCoCo_6799982,ZINC22_5979965,PC-id_40575825	380.568	MGRNULQKFNSGOC-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102156
CCOC(=O)c1c(NC(=S)N2CCCC[C@@H]2C)sc2c1CCCCC2	PC-id_40575823,ZINC22_5979963,CoCoCo_6799983	380.568	MGRNULQKFNSGOC-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102157
CCOC(=O)c1c(NC(=S)N2CCC[C@H](C)C2)sc2c1CCCCC2	PC-id_40628463,ZINC22_6595170,CoCoCo_6800654	380.568	WESQHUPLAVTOHY-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102158
CCOC(=O)c1c(NC(=S)N2CCC[C@@H](C)C2)sc2c1CCCCC2	ZINC22_6595171,CoCoCo_6800655,PC-id_40628464	380.568	WESQHUPLAVTOHY-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102159
s1c2c(CCCCC2)c(c1NC(=S)N1C(CCCC1C)C)C(=O)OC	PC-id_19654037	380.568	ORVCPNCALWHJKH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102160
s1c2c(CCCCC2)c(c1NC(=S)N1CC(CC(C1)C)C)C(=O)OC	PC-id_19654101	380.568	PMARNVAQBCADHG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102161
s1c2c(CCCCC2)c(c1NC(=S)N1C(CCCC1)CC)C(=O)OC	PC-id_19654758	380.568	CDTKPOHHCGXDEJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102162
s1c2c(CCCCC2)c(c1NC(=S)N1CCC(CC1)C)C(=O)OCC	PC-id_19653871	380.568	CGJBXHLORQVIER-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102163
s1c2c(CCCCC2)c(c1NC(=S)NC1C(CCCC1)C)C(=O)OC	PC-id_19652610	380.568	ZETFJMAWTHJJPW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102164
s1c2c(CCCCC2)c(c1NC(=S)NC1CCC(CC1)C)C(=O)OC	PC-id_20179759	380.568	JPJAYNWDEGOLKJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102165
s1c2c(CCCCC2)c(c1NC(=S)NC1CCCCCC1)C(=O)OC	PC-id_19650485	380.568	LPANSOBDAPLKGH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102166
s1c2c(CCCCCC2)c(c1NC(=S)N1CCC(CC1)C)C(=O)OC	PC-id_19653868	380.568	VXDBUPOYRJBRJO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102167
s1c2c(CCCCCC2)c(c1NC(=S)N1CC(CCC1)C)C(=O)OC	PC-id_19653920	380.568	VSQWDRWNJKARCQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102168
s1c2c(CCCCCC2)c(c1NC(=S)N1C(CCCC1)C)C(=O)OC	PC-id_19653978	380.568	XYZVYXPVVMXPKN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102169
s1c2c(CCCCCC2)c(c1NC(=S)N1CCCCC1)C(=O)OCC	PC-id_19653697	380.568	OWHAGOUGFMPIED-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102170
s1c2c(CCCCCC2)c(c1NC(=S)N1CCCCCC1)C(=O)OC	PC-id_19654149	380.568	WVYDIUJWRIEGPW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102171
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCCC1)C(=O)OCC	PC-id_19650427	380.568	BKKJXQRQMNDIRS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-102172
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCCCC1)C(=O)OC	PC-id_19650443	380.568	YZWRVDJMZUHWRO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102173
CC(c1ccc(c2-c(c1)c(C)cc2C(=NCCN1CCNCC1)N(C)C)C)C	PC-id_139705192	380.569	CEEMCVIFJDXZGN-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-102174
s1cc2OCC(CC(CCCC)CC)(CC(CCCC)CC)COc2c1	PC-id_74072130	380.627	MBKXWFFJIJKCMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102175
s1cc2OCC(C[C@H](CCCC)CC)(C[C@H](CCCC)CC)COc2c1	PC-id_23628854	380.627	MBKXWFFJIJKCMF-PMACEKPBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102176
CCCCCCCCC1(CCCCCCCC)COc2c(OC1)csc2	SCHEMBL4850421,PC-id_69216928	380.628	AANNULVAPUXWAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102177
C(CCCCCCCCC)CCCCCc1c2-c(cc1)ccc(C(C)C)cc2	PC-id_19996666	380.649	HTKGVNQXOYBLHK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-102178
C(CCCCCCCCCC)CCCCCCCc1c2-c(cc1)ccccc2	PC-id_19815675	380.649	UOAXDJHKDPZHGL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-102179
CCCCC(=C1SC2=C(S1)CCCCC2)SC1=C(C)CCCCC1	PC-id_144257356	380.674	XRWZMSQKGCBVGG-UHFFFAOYSA-N	00000011000000000111000000000010000000000000000000000000	31-01-102180
Clc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_316711664	380.773	RQJARQWBTGSTIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102181
Clc1ccc(cc1S(=O)(=O)N1CCCn2c(C1)cnn2)C(F)(F)F	EMOLS-id_319058115	380.773	IJRWVYSOTQAAPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102182
Clc1cc(ccc1S(=O)(=O)N1CCCn2c(C1)cnn2)C(F)(F)F	MCULE-8562246001,EMOLS-id_319881491	380.773	NGHVMBRFUDZOFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102183
OC(=O)CC(c1ccc(c(c1)F)Cl)NC(=O)c1noc2c1CCCCC2	PC-id_120531617	380.798	PRMNEGOTCQZQHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102184
COc1c(Cl)cc(NC(=O)Cn2c(=O)n3c(CCCCC3)n2)c(OC)c1	PC-id_41794145,MCULE-1816815147,SPECS-id_AT-687/NB01998,CoCoCo_4447338,EMOLS-id_18900672,ZINC22_11050461	380.826	CSJQLRLUFJZTKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102185
COc1cc(NC(=O)Cn2nc3n(c2=O)CCCCC3)c(OC)cc1Cl	EMOLS-id_18870710,PC-id_41794149,ZINC22_11050470,MCULE-8583048155,CoCoCo_4447341	380.826	FGMLPZDKTYJDAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102186
COCCn1nc2CCN(CCn2c1=O)C(=O)c1ccc(Cl)cc1OC	EMOLS-id_50589979,MCULE-6357424178,PC-id_91910655	380.826	WDTRVGGWEBSPRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102187
c1(NC(=O)c2cc(F)c(cc2Cl)F)sc2c(CCCCCC2)c1C#N	MCULE-8813714649,EMOLS-id_5123182,SPECS-id_AK-968/12265267,PC-id_1743208,ZINC22_2084460,CoCoCo_5818352	380.839	RUWJXJOZGLFZSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102188
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(cc1Cl)F	PC-id_70781449,EMOLS-id_44450241,ZINC22_82160286,MCULE-5564293548	380.844	FTNNYOAZNAJANR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102189
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(cc1F)Cl	EMOLS-id_46034417,PC-id_72850466,MCULE-2296461148,ZINC22_91350720	380.844	HHDDSTGOEARYOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102190
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1c(cccc1F)Cl	MCULE-9870024045,PC-id_72912084,EMOLS-id_46079029,ZINC22_91830496	380.844	RQPFUDGBNZPPNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102191
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cccc(Cl)c1F	MCULE-2010301000,EMOLS-id_46089533,PC-id_72926552,ZINC22_91985508	380.844	LIECXCKFLGLSBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102192
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(c(Cl)c1)F	ZINC22_91845847,MCULE-2924134780,PC-id_72912671,EMOLS-id_46079513	380.844	OMLDBBJOSFKDOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102193
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(c(F)c1)Cl	ZINC22_91350949,MCULE-4981051594,EMOLS-id_46034631,PC-id_72850730	380.844	SSKZBOQTVHOQOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102194
Clc1c(OCCC(=O)NCCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_60544336	380.844	UHMDTOUNXJFBOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102195
CN(C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(Cl)ccc1F)C2	PC-id_100061659,ZINC22_220602212	380.844	LCPRAPOTJLMNLB-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102196
CN(C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(Cl)ccc1F)C2	ZINC22_220602285,PC-id_100061661	380.844	LCPRAPOTJLMNLB-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102197
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)c1cc(Cl)ccc1F	MCULE-2315812813,EMOLS-id_55659802,PC-id_91779985	380.844	LCPRAPOTJLMNLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102198
COc1cc(F)c(c(c1)Cl)C(=O)NCCCc1nnc2n1CCCCC2	MCULE-3172859732,EMOLS-id_319850475	380.844	SVAROOJZJRIYAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102199
COCCN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc(c(c1)Cl)F	EMOLS-id_319537162	380.844	BUOHLKYDSQCEMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102200
c12CN(CCCn1nc(CN1CC[C@H](F)C1)c2)Cc1ccc(c(Cl)c1)F	PC-id_56898509,MCULE-7163428486,ZINC22_72161184,EMOLS-id_43124531	380.863	MOTQVWIBSYPTSK-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102201
Clc1cc(CN2Cc3n(nc(CN4CC(F)CC4)c3)CCC2)ccc1F	PC-id_76426921	380.863	MOTQVWIBSYPTSK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102202
Clc1c(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)c(F)ccc1	PC-id_52894703	380.864	YZUXRISJBUFZBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102203
Clc1c(CC(=O)NNC(=O)c2sc3CCCCCc3c2)c(F)ccc1	MCULE-1900406508,PC-id_9301192,EMOLS-id_33331799	380.864	JBSPCVYUIJDSIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102204
Clc1c(C(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc(F)c1	PC-id_8140747	380.864	DBWADJMASLAXGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102205
COc1ccc(CN(C)C2CCc3nn(C)c(=O)n3CC2)c(Cl)c1OC	MCULE-3937333619,EMOLS-id_97041856	380.869	PXOMYVXQAFZANV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102206
Clc1cccc(c1)C(c1ccccc1)NC(=O)C1CCc2n(CC1)cnn2	EMOLS-id_319230937	380.871	MREIICDRWIKYLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102207
C1CCC(c2c(CC1)c(n[nH]2)C=CS(=O)(=O)O)Cc1cc(ccc1)Cl	PC-id_87539204	380.889	OMTAPZJSKWOGRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102208
Clc1cccc(c1)CC1CCCCCc2c1[nH]nc2C(=C)S(=O)(=O)O	PC-id_142701889	380.889	VSFCELOQKKNHAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102209
Clc1cccc(c1)CC1CCCCCc2c1[nH]nc2/C=C/S(=O)(=O)O	SCHEMBL3538176	380.889	OMTAPZJSKWOGRS-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102210
Clc1cc(C(=O)Nc2sc3CCCCCCc3n2)cc(OC)c1OC	PC-id_56022746	380.889	JGTVGLLPWNZLPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102211
Clc1ccc2c(c1)C(CS2(=O)=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_100888935	380.892	WMCORWKXFMDCDZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102212
Clc1ccc(OCCNC(=O)CSc2n3CCCCCc3nn2)cc1	PC-id_8379521	380.892	VHCCHPIDSGOYAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102213
Clc1cc(NC(=O)C(Sc2n3CCCCCc3nn2)C)c(OC)cc1	MCULE-5705235829,EMOLS-id_3621044,PC-id_16326490	380.892	GQBFEVAIBZERAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102214
Clc1c(n(nc1C)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)N)C	PC-id_60546473	380.892	DHBNQJSJLHSONP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102215
CN(C1CCc2nn(c(=O)n2CC1)CC1CC1)C(=O)c1ccc(s1)Cl	PC-id_91922726	380.892	PSQOZEUKGFWXDR-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-102216
COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2	CoCoCo_3081787,ZINC22_6097652,PC-id_7877031	380.892	GQBFEVAIBZERAC-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102217
COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc2n1CCCCC2	ZINC22_6097649,PC-id_7877029,CoCoCo_3081786	380.892	GQBFEVAIBZERAC-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-102218
COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc2n1CCCCC2	EMOLS-id_33329190,PC-id_32150470,ZINC22_24833552,MCULE-9899795608	380.892	XFEUTWZHLAYUGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102219
Clc1c(c2sc(/C=C(c3n4CCCCCc4nn3)/C#N)cc2)cccc1	PC-id_52559135	380.894	KNALKHDVMHCFET-OWBHPGMISA-N	00000000100100110101100000000010000000000000000000000000	31-01-102220
Clc1c(c2sc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cccc1	PC-id_75869119	380.894	KNALKHDVMHCFET-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-102221
Clc1ccc(N/N=C/2C(CCSc3sc(cc23)C)CC(=O)O)cc1	PC-id_10595976	380.912	BXCHYSDYLFUMQS-CAPFRKAQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102222
Clc1ccc(NN=C2C(CCSc3sc(cc23)C)CC(=O)O)cc1	PC-id_85199030	380.912	BXCHYSDYLFUMQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102223
OCc1sc2c(c1)C(=N)C(CCS2)CC(=O)Nc1ccc(cc1)Cl	PC-id_141848691	380.912	YFSBVHDFLXPXOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102224
Clc1c(NC(=O)C[NH+](Cn2nc3n(CCCCC3)c2=S)C)cccc1	PC-id_8222297	380.915	HPKYGUDVTFIHJH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-102225
CC1=CC(=CC(=C1)Cl)COC(=O)N2CCCN3C(=C(C(=N3)C(=O)O)F)C2	PC-id_146889618	381.089	SYYIQPCBPGZUKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102226
Cc1cc(cc(c1)C(F)(F)F)COC(=O)N1CCCn2c(cc(n2)C=O)C1	PC-id_163943671	381.13	RTFQSIWFJLTTAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102227
CN1C2=CC=NN2CC[C@@H](C1=O)NC(=O)C3=NN(C=N3)CC4=CC=CC=C4O	PC-id_146923835	381.155	ADRTWWGYQFJHDI-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102228
O=C1C(I)CCn2c(N1C)cc(n2)CC1CC1(F)F	SCHEMBL18366956	381.16	GUHRAMUYXLNOKL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-102229
Brc1cccc(c1)C(=O)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_89580230,SCHEMBL14965860	381.181	VYUOSDGELHXYKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102230
Brc1ccc(cc1)C(=O)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965651,PC-id_89580076	381.181	ZDOOIEZLOLVKOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102231
Cc1nn2CC[C@@H](C(=O)N(c2c1)C)NC(c1nn(cn1)Cc1ccccc1)O	PC-id_163644693	381.191	IHGLYGCKRBSQGJ-BUSXIPJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102232
CN1c2cncn2CCCC(C1=O)NC(=O)c1n[nH]c(n1)CC1=CCCC=C1	PC-id_163929282	381.191	RHHTYUOFZLIJPY-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-102233
C1COCCN2C1=NN=C2CN(CCC3=CC=CC=N3)CC4=CC=C(C=C4)F	EMOLS-id_317261310,MCULE-5069307139,PC-id_154763345	381.196	SXKVOPFLNAGRJP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-102234
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)C(=O)CC4CC4)C2)C	PC-id_161842972	381.205	XYADRDKBUPIJEV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-102235
c1(C(=O)Nc2ccc(cc2)I)c2CCCCCc2[nH]n1	MCULE-1712706880,EMOLS-id_335147138	381.212	SVKKFYGYDIYMES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102236
Brc1ccc2-c(c(c(OC)c2C(=O)OCC)C(=O)OCC)cc1	PC-id_11269026	381.218	WEKXQDFDWMTRRE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-102237
CCCOC(=O)c1c2-c(c(c1OC)C(=O)OC)cc(ccc2)Br	PC-id_141346784	381.218	DZWVGSOSIBUGHK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-102238
CCOc1c(C(=O)OCC)c2-c(c1C(=O)OC)cc(ccc2)Br	PC-id_141346768	381.218	UVSURGRZBGJOSU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-102239
CCOC(=O)c1c(OC)c(c2-c1cc(Br)ccc2)C(=O)OCC	PC-id_141346756	381.218	XFCPEVSXQAAIEA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-102240
Brc1ccc(o1)C(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922439,EMOLS-id_50590029,MCULE-2356321223	381.224	ONDAUUNHYIKTLW-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-102241
Clc1c(P(c2ccccc2)c2ccccc2)c(Cl)c2-c1ccccc2	PC-id_12039469	381.234	PKSNIYHPNUZKGW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-102242
Brc1ccc(c(c1)CN(C(=O)C1CCn2c(CC1)nnc2)C)F	MCULE-2320851434,EMOLS-id_320285090	381.243	DZUQQWUQJPVPLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102243
Brc1ccc(c(c1)CNC(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101718792	381.243	RACKNDPVZMWTKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102244
Brc1cc(C(=O)NCCc2n3CCCCCc3nn2)cc(F)c1	PC-id_55713260	381.243	DFQMYKTZXSFVKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102245
Brc1c(C(=O)NCCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_52181439	381.243	XDPUJWOTRPWVLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102246
Brc1c(C(=O)NCCc2n3CCCCCc3nn2)cc(F)cc1	PC-id_51307494	381.243	VKOFVTXSCDAJDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102247
Fc1ccc(c(c1)Br)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101720952	381.243	YIBRZVVYJLJUIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102248
Fc1ccc(c(c1)CNC(=O)N1CCCc2c(C1)cnn2C)Br	EMOLS-id_101714372	381.243	GEDJKDPMGBPYEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102249
O=C(C1CCn2c(CC1)nnc2)NCCc1ccc(c(c1)Br)F	EMOLS-id_319552091	381.243	HPQMRDQIIAPHPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102250
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(Br)c(cc1C)F	EMOLS-id_101859538	381.243	HUIHQWDDQURDFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102251
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1F)C)Br	EMOLS-id_101853781	381.243	QVLCTYUQUMDMJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102252
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(C)c(cc1F)Br	EMOLS-id_101865471	381.243	MTSNEUIPJXXCEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102253
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(C)c(c(c1)F)Br	EMOLS-id_101936823	381.243	QCPCNKXHLRXLBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102254
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(F)c(cc1C)Br	EMOLS-id_101853676	381.243	NDSDADVPIUXQIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102255
O=C(N1CCCc2c(C1)cnn2C)NCc1ccc(c(c1)F)Br	EMOLS-id_101721069	381.243	YDMYIFNLEPLCCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102256
CCNC(=O)CCCNC(=O)C1(CCCCCC2=C1N=NN2CC(C)C)F	PC-id_155140088	381.254	MGBKITFEODFRFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102257
Brc1ccc(CSc2c3soc(=O)c3c(=O)ccc2)cc1	PC-id_15934669	381.264	JXPVFHRWKKSYNW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-102258
C=CC(=O)N1CCC[C@@H](C(=O)N2CCCc3oc(Br)cc3C2)C1	ZINC22_2325889150	381.264	BOTRCQABEPHDLK-GFCCVEGCSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102259
C=CC(=O)N1CCC[C@H](C(=O)N2CCCc3oc(Br)cc3C2)C1	ZINC22_2325889151	381.264	BOTRCQABEPHDLK-LBPRGKRZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102260
COc1ccc(Br)c(C(=O)Nc2nc3c(s2)CCCCC3)c1	MCULE-2973645574,ZINC22_12729973,PC-id_25466331,CoCoCo_4546147,EMOLS-id_18815093	381.287	GHQAYNJHEBSKJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102261
COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1Br	EMOLS-id_16760390,CoCoCo_4546205,ZINC22_12783719,PC-id_17528721,MCULE-5960894892	381.287	CYORPHGLZOXOQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102262
Brc1ccc(NC(=O)CSc2n3CCCCCc3nn2)cc1	PC-id_7877346	381.291	AONOYHXHGOEYDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102263
Brc1cc(NC(=O)CSc2n3CCCCCc3nn2)ccc1	PC-id_7877386	381.291	SCXOYEPDWOMHPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102264
Brc1c(NC(=O)CSc2n3CCCCCc3nn2)cccc1	PC-id_7877580	381.291	TXLUBXZTIAWPSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102265
CC(C)(CNC(=O)N1CCCc2occc2C1)c1ccc(Cl)c(Cl)c1	ZINC22_2325825465	381.296	QVCVIIUOOGAVIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102266
Clc1ccc(cc1Cl)C1CN(Cc2cc3CNCCCn3n2)CCO1	EMOLS-id_43146306,MCULE-4850819143,PC-id_56905519	381.299	HWYYAYFAUUNFLD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102267
Clc1ccc(c(c1)Cl)CC(NC(=O)C1CCn2c(CC1)nnc2)(C)C	EMOLS-id_319898614,MCULE-4293756157	381.299	QIUOAXLQTKPPRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102268
Clc1ccc([C@@H]2CN(Cc3cc4n(n3)CCCNC4)CCO2)cc1Cl	PC-id_95719235,ZINC22_72151996	381.299	HWYYAYFAUUNFLD-SFHVURJKSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102269
Clc1ccc([C@H]2CN(Cc3cc4n(n3)CCCNC4)CCO2)cc1Cl	PC-id_95719236,ZINC22_72151997	381.299	HWYYAYFAUUNFLD-GOSISDBHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102270
Clc1c(CCC(=O)NCCc2n3CCCCCc3nn2)cccc1Cl	PC-id_52184000	381.299	DQEQZQKTFRUAGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102271
c1(cc(c(Cl)s1)Cl)S(=O)(=O)NCc1cc2n(CCCNC2)n1	MCULE-3052367473,EMOLS-id_44448231,ZINC22_82147668,PC-id_70775577	381.301	QKIAKTHOZSSMBB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-102272
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1Cl)Cl	PC-id_111197840	381.303	HHUKLPTYLQIACD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102273
NC(=NCc1nnc2n1CCCCC2)NC(c1ccc(cc1Cl)Cl)C	PC-id_111031964	381.303	XINFARNDPBJTRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102274
Brc1cc(C(=O)c2c3-c(c(c2)CC)cccc(C(C)C)c3)ccc1	PC-id_58786220,SCHEMBL14590062	381.306	FRTIMMCBQXCNTR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-102275
Brc1ccc(s1)C(=O)Nc1sc2CCCCCc2c1C#N	CoCoCo_540298,TIMTEC345889,ZINC22_4749319,PC-id_2970338,EMOLS-id_2041040,ChEMBL-DNDi_CHEMBL7943971,MCULE-1224560424	381.311	NXNJCDYFISOFLK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-102276
Brc1c(scc1)C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_60778621	381.311	DVXYWFSYWWVXLC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-102277
Brc1scc(C(=O)Nc2sc3CCCCCc3c2C#N)c1	PC-id_60739695	381.311	MADKWFWXDCAPLN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-102278
CCC1=CC(C=c2c(=C1)[nH]c(n2)SC)OC1=CC=CCC(=C1Cl)Cl	PC-id_137467573,SCHEMBL20707921	381.319	BMKCFVQDXFXZQJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-102279
Br.n1(c(=N)sc2c1CCCCC2)CC(=O)c1ccc(cc1)C	CHEMBL537867	381.33	KOTDACBCOYPTLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102280
O=C(O)[C@@H]1CN(Cc2cc3c(cc2OC(F)F)OCO3)Cc2ccnn2C1	ZINC22_1875294019	381.331	KTVSOKVLGSSUSY-LLVKDONJSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102281
O=C(O)[C@H]1CN(Cc2cc3c(cc2OC(F)F)OCO3)Cc2ccnn2C1	ZINC22_1875294020	381.331	KTVSOKVLGSSUSY-NSHDSACASA-N	00000010100000100101000000001010000000000000000000000000	31-01-102282
Brc1ccc(CN(Cn2nc3n(CCCCC3)c2=S)C)cc1	PC-id_18084711	381.334	KZWSSRQVPRUJGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102283
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccccc1C(F)(F)F	MCULE-7447250908,EMOLS-id_43088223,PC-id_56889668,ZINC22_72410646	381.349	WPBVWGDXSLQKIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102284
O=C(N1CCOc2n(CC1)cc(n2)[N+](=O)[O-])NS(=O)(=O)c1ccccc1	SCHEMBL14965880,PC-id_71571176	381.364	QBWBNRZQOMGEBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102285
Cc1nc2cc(nn2c(c1)C(F)(F)F)C(=O)N1CCc2c(CC1)ncs2	SCHEMBL15292436,PC-id_89830261	381.375	IYAYXDDKHMFLCS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102286
Cc1cc(C(F)F)nn1CC(=O)N1CCCn2nc(CCC(=O)O)cc2C1	ZINC22_72477500,MCULE-7042347548,PC-id_56913707,EMOLS-id_43170426	381.377	IZIKCRWOIUYQKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102287
c1([nH]nc(c2ccccc2O)c1)C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	PC-id_136046700,ZINC22_67771835,MCULE-4911337958,EMOLS-id_32393002	381.385	DJRRCTNCGVKTGX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102288
O=C(N1CCCn2nc(cc2C1)C(=O)OC)C1=C/C(=C/2C(=O)C=CC=C2)/NN1	PC-id_50961219	381.385	FYRXRBHVFFDFDJ-BUHFOSPRSA-N	00000011100011000101100000000010000000000000000000000000	31-01-102289
CCCN1CC(=O)NC(=O)NC(=O)NC(=O)Nc2nnc(C1CC(C)C)o2	PC-id_137084519,SCHEMBL18652915	381.387	DGZIGLKNODMKQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102290
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(cc1)n1cnnn1	MCULE-4521786158,ZINC22_72433519,PC-id_56882755,EMOLS-id_43059982	381.389	MJLRTODIUCBZAV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102291
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccnc(c1)n1cnnc1	ZINC22_91444461,MCULE-6889508317,EMOLS-id_46040249,PC-id_72858658	381.389	OTKBKWCNJPONPQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102292
C1Cn2c(cc(n2)CO)NC(=O)[C@H]1NC(=O)c1nn(cn1)Cc1ccccc1	SCHEMBL18372974,PC-id_137052843	381.389	FKMOEPYUZSQGGH-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102293
c1(C(=O)OC)cc2n(CCCN(C(=O)Cc3[nH]nc(c4cccnc4)n3)C2)n1	PC-id_50966173,EMOLS-id_32402280,MCULE-7088203728,ZINC22_67883968	381.389	XBSCHSMKUOYZKD-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102294
O=C1C(COc2c(N1C)cnn2C)NC(=O)c1n[nH]c(n1)Cc1ccccc1	PC-id_145407999	381.389	LHAVGPCQMKOYQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102295
O=C1[C@H](COc2c(N1C)cnn2C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL18372672	381.389	LHAVGPCQMKOYQE-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102296
CC(OCc1ncn2c1CN(CCC2)C(=O)c1cccc(c1)C(F)(F)F)C	PC-id_97405865	381.392	RKQAKECSWHOCBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102297
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1ccc(OCC)cc1	PC-id_19523632	381.392	GHCPBDIQQGHYFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102298
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(OC)ccc(c1)C	PC-id_19523623	381.392	WAIOPNANBPHHEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102299
O=C(c1cnc2n1CCCCC2)N(CC(C(F)(F)F)O)Cc1ccccc1	EMOLS-id_318352483	381.392	PFYFLOFQNMTWMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102300
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cc(F)c(c(F)c1)F	MCULE-6272994292,ZINC22_82083769,EMOLS-id_44423669,PC-id_70705447	381.395	FZMZWQFVRFKTCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102301
CN(C(=O)CNc1cccc(c1)C(F)(F)F)Cc1nnc2n1CCCCC2	EMOLS-id_318001192	381.395	KDHBJYGSKXPDHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102302
O=C(NC(c1ccc(cc1)C(F)(F)F)C)NCc1nnc2n1CCCCC2	PC-id_86928628	381.395	GGWFERTXFVEJKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102303
CC1C=Cc2c(S(=O)(=O)N1C)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353454	381.397	FZAAYYRNAAEMTJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-102304
CC1C=CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18352815	381.397	ARZGIFKHUPQBTF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-102305
CC1CC=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353357	381.397	QYLPRPLFVRDNKV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-102306
CN1C=CCc2c(S(=O)(=O)C1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	PC-id_139462788,SCHEMBL21327924	381.397	HDIRGBWZTRXGKB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-102307
Fc1ccc(cc1)Oc1nccc(c1)CNC(=O)C1CCn2c(CC1)nnc2	MCULE-2393209595,EMOLS-id_320115639	381.404	ABLJMPBZRLLFAI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-102308
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(c(c1)F)Oc1cccnc1	MCULE-7791874742,EMOLS-id_320090078	381.404	QFNDTQCGRJCWQN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-102309
O=C(C1CCn2c(CC1)nnc2)NCc1ccnc(c1)Oc1ccccc1F	EMOLS-id_320212599,MCULE-5430310507	381.404	YBJGXJBSVLZDLU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-102310
OCC(O)c1cc2CN(CCCn2n1)S(=O)(=O)c1cccc(c1)C(=O)O	PC-id_91776301,EMOLS-id_55649009,MCULE-4639294676	381.404	KMHNWKWWONZFRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102311
O=C(O)c1cccc(S(=O)(=O)N2CCCn3nc([C@H](O)CO)cc3C2)c1	PC-id_100052696,ZINC22_220111839	381.404	KMHNWKWWONZFRR-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102312
O=C(O)c1cccc(S(=O)(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)c1	ZINC22_220111767,PC-id_100052694	381.404	KMHNWKWWONZFRR-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102313
c12CN(CCCn1nc(C#N)c2)C(=O)NCCCc1[nH]c2c(cc(cc2)F)n1	MCULE-1629579200,PC-id_121512250,ZINC22_426700057,EMOLS-id_177499602	381.407	OWWLHOLUIFIJDR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102314
c12CN(C(COc1n(nc2C(F)(F)F)C)CSC)C(=O)OC(C)(C)C	EMOLS-id_264817841,MCULE-1689390932	381.414	UOOKNOSWLOVDAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102315
Fc1ccc(c(c1)F)NC(=O)N1CCCn2c(C1Cc1ccccc1)ccc2	PC-id_25212558,SCHEMBL4055124	381.418	OCLTURHYFIHBIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102316
CC(C)(C)OC(=O)NC(CC=CCC1CCCCc2noc(=O)n12)C(=O)O	PC-id_88043612	381.423	LJXFMBWYDMTCPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102317
o1nc2n(C(CCCC2)CC=CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1=O	PC-id_69901248,SCHEMBL6804186	381.423	LJXFMBWYDMTCPJ-ABLWVSNPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102318
O=C(OC(C)(C)C)N[C@H](C(=O)O)C/C=CCC1CCCCc2n1c(=O)on2	SCHEMBL6804180	381.423	LJXFMBWYDMTCPJ-OMICIOLPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102319
c1(c(C)c2c(cc(cc2)C)o1)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	MCULE-1171358216,PC-id_56892255,ZINC22_72421199,EMOLS-id_43098751	381.425	HKVDXQZKVOBYIJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102320
CC1(C)CNC(=O)c2c(C(=O)NCC(=O)N3CCc4ccccc34)coc2C1	ZINC22_865108856	381.425	UEHXUDLIQHDXTQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-102321
CC(C)c1nnc2CCN(CCn12)C(=O)c1cc(ccc1F)S(=O)(=O)N	PC-id_72930060,EMOLS-id_46092111,MCULE-5271013375,ZINC22_92003859	381.425	QVXWVHCKTCJGLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102322
O=C(N[C@@H](C(=O)N1CCCC1)c1ccccc1)c1coc2c1C(=O)NCCC2	ZINC22_1875270737	381.425	IXRSNHWZFHCDRO-GOSISDBHSA-N	00000010100000110100000000000010000000000000000000000000	31-01-102323
O=C(N[C@H](C(=O)N1CCCC1)c1ccccc1)c1coc2c1C(=O)NCCC2	ZINC22_1875270738	381.425	IXRSNHWZFHCDRO-SFHVURJKSA-N	00000010100000110100000000000010000000000000000000000000	31-01-102324
COC(C(=O)N1CCN(CC1)C(=O)Cn1nc2n(c1=O)CCCCC2)OC	EMOLS-id_316702655	381.427	XGGQPQHVXUJLGL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102325
COC(=O)c1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625648	381.427	LXDDEWVOPZVRFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102326
O=C(Nc1ccccc1)c1c2-c(c(c1N)C(=O)Nc1ccccc1)ccccc2	PC-id_85756758	381.427	UQAOQCOWTPXUHM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-102327
O=C(Nc1ccccc1)c1c2-c(cc1NC(=O)Nc1ccccc1)ccccc2	PC-id_85756759	381.427	KFKRCNJXVZPSOZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-102328
c12c(C)cccn1c(cn2)CC(=O)N1CCCn2nc(CCC(=O)O)cc2C1	MCULE-7725956284,ZINC22_72478055,EMOLS-id_43171980,PC-id_56914247	381.428	DMEADYLGQMERDN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102329
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CCc1cn2c(cccc2)n1	MCULE-3248109918,PC-id_72909498,EMOLS-id_46635878,ZINC22_95380182	381.428	CUUXNYVQECXWPR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102330
c12CN(CCCn1nc(CNC(=O)c1ccc3c(cco3)c1)c2)C(=O)N(C)C	ZINC22_91906459,PC-id_70770767,MCULE-8021130202,EMOLS-id_44446559	381.428	RZCZCBRZUFTZPD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102331
C1CCc2nnc(n2CC1)C(=O)NC1COCCC1Oc1ccc(cc1)C#N	PC-id_91797610	381.428	LXJHRZPYVPBSGU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102332
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccccc3O)CCn12	MCULE-8588021796,PC-id_45182380,ChEMBL-DNDi_CHEMBL19259036,EMOLS-id_20451793	381.428	BZZMYRUQVPITOA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102333
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3ccc4c(OCO4)c3)C2)n1	MCULE-7308789617,EMOLS-id_55607596,PC-id_91761696	381.428	JDCTUOXCKZANSU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102334
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)Cc3cccc(O)c3)C2)n1	PC-id_90649684,EMOLS-id_50534499,MCULE-6474403387	381.428	PQSRMIVNWUUDCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102335
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)COc3ccccc3)C2)n1	EMOLS-id_55626692,MCULE-2312842468,PC-id_91768480	381.428	BJTSDINZEPKQAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102336
c1(C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)c2cc(C)ccc2n(C)n1	MCULE-8931051151,PC-id_56895194,ZINC22_72425838	381.428	YCKYBCUYICTWML-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102337
c1(C(=O)Nc2cccc(c2)C(=O)N2CCNC(=O)C2)c2CCCCCc2[nH]n1	ZINC22_1565525041,MCULE-5818261685	381.428	YOCQZCZMYPEVTA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102338
c1(C(=O)NCc2cc(on2)c2cccc(OC)c2)cc2n(CCCN(C)C2)n1	PC-id_50971860,EMOLS-id_32413006,MCULE-6704623138,ZINC22_65435257	381.428	CFOPQXHHLAZKLN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102339
c1(C(=O)NCc2onc(c3cccc(OC)c3)c2)cc2n(CCCN(C)C2)n1	PC-id_50957818,MCULE-7449993105,EMOLS-id_32386512,ZINC22_65388242	381.428	NNFPGLBUKFGZCX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102340
c1(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(cc2)C#N)nnc2CCCCCn12	MCULE-3183510005,ZINC22_223889378,EMOLS-id_55711306	381.428	LXJHRZPYVPBSGU-IAGOWNOFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102341
C1(NC(=O)CNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1	PC-id_46049882,MCULE-1406015512,EMOLS-id_25388152	381.428	AQEMQWSQQXJXDX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-102342
c1([nH]nc(c2ccc(cc2)OC)c1)C(=O)N1CCCn2c(cc(n2)C(C)O)C1	EMOLS-id_55667545,MCULE-9278189224,PC-id_91782659	381.428	BKCHSOMHULEAGK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102343
c1([nH]nc(c2ccc(C)o2)c1)C(=O)N1CCCn2c(cc(n2)C(O)C2CC2)C1	PC-id_91763918,MCULE-9528431281,EMOLS-id_55613765	381.428	HEAOEAIYQKCLRK-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-102344
Cc1ccc(o1)c1[nH]nc(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O	PC-id_100020814	381.428	HEAOEAIYQKCLRK-IBGZPJMESA-N	00100000101000000101100000000010000000000000000000000000	31-01-102345
Cc1ccc(o1)c1[nH]nc(c1)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O	PC-id_100020817	381.428	HEAOEAIYQKCLRK-LJQANCHMSA-N	00100000101000000101100000000010000000000000000000000000	31-01-102346
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccccc1O)CC2	CoCoCo_1202745,PC-id_42340180,CoCoCo_1202746,ZINC22_11995424	381.428	BZZMYRUQVPITOA-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102347
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccccc1O)CC2	CoCoCo_1202747,PC-id_42340182,CoCoCo_1202748,ZINC22_11995425	381.428	BZZMYRUQVPITOA-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102348
CCOC(=O)c1[nH]c2c(c1NC(=O)N1CCCc3c(C1)cnn3C)cccc2	EMOLS-id_279111503	381.428	JGSJAVBJFVAUFO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102349
Cn1nccc1[C@H](c1nn2c(c1)CN(CCC2)Cc1ccc2c(c1)OCO2)O	PC-id_100010310	381.428	JDCTUOXCKZANSU-FQEVSTJZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102350
Cn1nccc1[C@@H](c1nn2c(c1)CN(CCC2)Cc1ccc2c(c1)OCO2)O	PC-id_100010313	381.428	JDCTUOXCKZANSU-HXUWFJFHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102351
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cccc(O)c1)C2	PC-id_100049252,ZINC22_219895118	381.428	PQSRMIVNWUUDCE-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102352
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cccc(O)c1)C2	ZINC22_219895154,PC-id_100049253	381.428	PQSRMIVNWUUDCE-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102353
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)COc1ccccc1)C2	PC-id_100034909,ZINC22_219187638	381.428	BJTSDINZEPKQAR-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102354
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)COc1ccccc1)C2	ZINC22_219187554,PC-id_100034906	381.428	BJTSDINZEPKQAR-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102355
CN(Cc1nnc2n1CCCCC2)C(=O)CCN1C(=O)c2ccccc2C1=O	ZINC22_8753185,MCULE-9487812915,PC-id_16298774,CoCoCo_4524786,EMOLS-id_13407733	381.428	NEGGJHTWBZIHSU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102356
CNC(=O)COc1ccc(cc1OC)/C=C(/c1nnc2n1CCCCC2)C#N	GD-id_ZINC44022555	381.428	DEKDBFMNLDDEAY-XNTDXEJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102357
COc1ccc(c2cc(C(=O)N3CCCn4nc([C@@H](C)O)cc4C3)[nH]n2)cc1	PC-id_100091264,ZINC22_222358644	381.428	BKCHSOMHULEAGK-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102358
COc1ccc(c2cc(C(=O)N3CCCn4nc([C@H](C)O)cc4C3)[nH]n2)cc1	ZINC22_222358710,PC-id_100091266	381.428	BKCHSOMHULEAGK-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102359
COc1ccccc1c1onc(c1)C(=O)NCCc1nnc2n1CCCCC2	GD-id_ZINC47527820	381.428	AAHWAMSUZXEHKN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102360
COc1cc(ccc1C)c1noc(n1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318159635	381.428	PWLXUKQSLOGRFV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102361
COc1ccc(cc1)CN(c1[nH]c(=O)c2c(c(=O)n1)n(cn2)CC=C(C)C)C	PC-id_29185311,MCULE-9755770712,EMOLS-id_232819958	381.428	XGHVULFIAIAVFY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-102362
COc1ccccc1C(=O)NCc1nnc2CCN(Cc3ccoc3)CCn12	CoCoCo_1211599,CoCoCo_1211598,MCULE-1282880989,PC-id_42340483,ZINC22_11995686,EMOLS-id_20458125	381.428	NLYDQHWJMAAWBI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102363
COCCn1ccc(C(=O)N2Cc3cccn3C[C@H](Oc3ccccn3)C2)n1	ZINC22_575405382	381.428	SABOBWXHVKLEGE-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102364
COCCn1ccc(C(=O)N2Cc3cccn3C[C@@H](Oc3ccccn3)C2)n1	ZINC22_575405383	381.428	SABOBWXHVKLEGE-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102365
COCCn1ccc(n1)C(=O)N1CC(Cn2cccc2C1)Oc1ccccn1	EMOLS-id_55751511	381.428	SABOBWXHVKLEGE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102366
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)Cc1ccccc1O	EMOLS-id_20619301,PC-id_28299510,CoCoCo_1447109,ZINC22_19730895,CoCoCo_1447108,MCULE-8287350481	381.428	FGYFWZNYVVDPLY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102367
N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2nnc3n2CCCCC3)cc1	ZINC22_1565531059	381.428	LXJHRZPYVPBSGU-IRXDYDNUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102368
Oc1ccc(cc1)CN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccco1	ChEMBL-DNDi_CHEMBL60858029	381.428	BJHKHKFWIHLDEL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102369
Oc1ccc(cc1)CN1CCc2n(CC1)c(nn2)CCNC(=O)c1cocc1	PC-id_28230680,ChEMBL-DNDi_CHEMBL53181962	381.428	SMGOQBYXKJYBAC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102370
Oc1ccc(cc1)CN1CCc2n(CC1)c(nn2)C(NC(=O)c1ccco1)C	ChEMBL-DNDi_CHEMBL38224682,PC-id_45166632	381.428	VFTBYRGRYYAEKC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102371
Oc1c(CN2CCn3c(nnc3CCNC(=O)c3occc3)CC2)cccc1	PC-id_56857862,ChEMBL-DNDi_CHEMBL65560483	381.428	GNQVPACJFINRET-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102372
O=c1n2CCCCCc2nn1CC(=O)Nc1onc(c2ccc(CC)cc2)c1	PC-id_56570602	381.428	VZMGZHPIVULQOJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102373
O=C1N(CCC(=O)NCc2n3CCCCCc3nn2)C(=O)c2c1cc(cc2)C	PC-id_51266340	381.428	VOKBPEZFZICOMJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102374
O=C(CCN1C(=O)c2c(C1=O)cccc2)NCCc1nnc2n1CCCCC2	PC-id_26063699,CoCoCo_4559871	381.428	WKZYAKDGGKQFIT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102375
O=C(NC1CC1)c1nn2c(CN(CCC2)C(=O)CNC(=O)c2ccccc2)c1	PC-id_50978439	381.428	XSZYPQJPDAKITN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-102376
c12cc(nn1c(cc(C(=O)NCc1cc3n(CCCN(C(=O)C)C3)n1)n2)C)C	ZINC22_82162124,PC-id_70785519,EMOLS-id_44451707,MCULE-6109969935	381.432	ZKPXWEXXQCMQBD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102377
c12CN(CCCn1nc(CNC(=O)Nc1cccc(c1)C#N)c2)C(=O)N(C)C	EMOLS-id_46636914,PC-id_72911614,MCULE-8567775279,ZINC22_95380914	381.432	ZJDGCSRGJCRORW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102378
c12nnnn1CCCCC2C(=O)N(C)Cc1cnn(c2cccc(OC)c2)c1	EMOLS-id_68891176,PC-id_118770719,MCULE-8346392488	381.432	PLOSJRPTSSYRFD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102379
c12nnnn1CCCCC2C(=O)N(CC)Cc1onc(c2cccc(C)c2)n1	EMOLS-id_316260668,MCULE-3144084762	381.432	QUOMFPCMWVYTGK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102380
c1(C(=O)NCc2cc3n(CCCN(C(=O)C)C3)n2)[nH]nc(c2cccn2C)c1	MCULE-1710034485,ZINC22_299768833,PC-id_118766821,EMOLS-id_68882902	381.432	MNYLXUYBXIAAHC-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-102381
c1(C(=O)NCc2onc(c3cccnc3)n2)cc2n(CCCN(C(C)C)C2)n1	MCULE-2275694160,PC-id_50982188,EMOLS-id_32432444,ZINC22_65525889	381.432	SMYKWNXUVVKNBK-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102382
Cc1c2N(C(=O)[C@@H](CCn2nc1)NC(c1n[nH]c(n1)Cc1ccccc1)O)C	SCHEMBL19805342,PC-id_134201577	381.432	GNZNZKVBRTWXCA-XPCCGILXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102383
CCc1cc(CNC(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)on1	ZINC22_426412397,MCULE-6918685263,PC-id_121497775,EMOLS-id_177385472	381.432	LAQFLFMKZNQPBB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102384
CCc1noc(c2cccc(NC(=O)NCc3nnc4n3CCCCC4)c2)n1	EMOLS-id_49143510,MCULE-4483548713,PC-id_72842697,ZINC22_96131652	381.432	GEHMJQVVEWYCCH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102385
C=C/C=CC(=C)Cn1cnc(n1)C(=O)NC1CCCn2c(N(C1=O)C)cnc2	PC-id_145225196	381.432	BJKBDAJCFRYEAD-ALCCZGGFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102386
C[C@H](NC(=O)CCc1cc2n(n1)CCCNC2)c1nc(c2ccccn2)no1	PC-id_95866669,ZINC22_72418084	381.432	XCPRTVOMXGDTAJ-ZDUSSCGKSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102387
C[C@@H](NC(=O)CCc1cc2n(n1)CCCNC2)c1nc(c2ccccn2)no1	PC-id_95866670,ZINC22_72418085	381.432	XCPRTVOMXGDTAJ-CYBMUJFWSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102388
CCN(Cc1nc(c2cccc(C)c2)no1)C(=O)[C@H]1CCCCn2nnnc12	ZINC22_1506414602	381.432	QUOMFPCMWVYTGK-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102389
CCN(Cc1nc(c2cccc(C)c2)no1)C(=O)[C@@H]1CCCCn2nnnc12	ZINC22_1506414603	381.432	QUOMFPCMWVYTGK-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102390
CC(NC(=O)CCc1cc2CNCCCn2n1)c1nc(no1)c1ccccn1	MCULE-6851117392,PC-id_70724736,EMOLS-id_43091015	381.432	XCPRTVOMXGDTAJ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102391
Cn1cc2c(n1)CC[C@@H](C(=O)N2C)NC(c1n[nH]c(n1)Cc1ccccc1)O	PC-id_134201685,SCHEMBL19805460	381.432	JNJPJUHQFMIXBV-PIVQAISJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102392
Cn1nc(c(c1)CNCc1nnc2n1CCCCC2)c1ccc(cc1)[N+](=O)[O-]	PC-id_119107796	381.432	WRIHVODJMFZRQP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102393
CN(Cc1nnc2n1CCOCC2)C(=O)NCc1ccccc1n1cccn1	ZINC22_1615554529,MCULE-4577169892,EMOLS-id_320328903	381.432	XPYFAGOIRCKSON-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102394
CN(C)C(=O)N1CCCn2nc(CNc3nc(c4ccccc4)no3)cc2C1	PC-id_70741330,MCULE-4427864088,ZINC22_82114371,EMOLS-id_44436405	381.432	ITMOOROYZOSVKS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102395
CN(C)C(=O)N1CCCn2nc(CNc3noc(c4ccccc4)n3)cc2C1	ZINC22_91476940,EMOLS-id_46044121,MCULE-6795930853,PC-id_72864053	381.432	SKGKEOWPKHDPMA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102396
COc1cccc(n2cc(CN(C)C(=O)[C@H]3CCCCn4nnnc34)cn2)c1	ZINC22_299758790	381.432	PLOSJRPTSSYRFD-KRWDZBQOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102397
COc1cccc(n2cc(CN(C)C(=O)[C@@H]3CCCCn4nnnc34)cn2)c1	ZINC22_299758791	381.432	PLOSJRPTSSYRFD-QGZVFWFLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102398
n1c(CCNC(=O)CCc2cc3n(CCCNC3)n2)onc1c1cccnc1	MCULE-3449692443,PC-id_70781821,ZINC22_72479185,EMOLS-id_43174949	381.432	ZHDPXEPRXQZSHP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102399
N#Cc1cccc(c1)OC1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163177	381.432	VJGJTLMULJFUKR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102400
O=C1C(CCn2c(N1C)cc(n2)C)NC(=O)C(=NC=NCc1ccccc1)N	PC-id_145225029	381.432	WRBWFKZBVDVBAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102401
O=C(Cn1nc2n(c1=O)CCCCC2)NCc1ccc(nc1)n1ccnc1C	PC-id_86821251	381.432	UJRPONCIVZOACG-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102402
C/C=CC
=C/C(=C)C[C@@H](CC)NC(=O)Cn2c(CCC1)cc(n2)C(F)(F)F	SCHEMBL19193596	381.435	OEWGQDSIAHYDFE-FOHYQCBVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-102403
CCn1nnnc1c1cccc(NC(=O)NCc2nnc3n2CCCCC3)c1	ZINC22_173447977,MCULE-1775358235,EMOLS-id_316899918	381.435	OCLYISWWGIVPDV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102404
CN(C)C(=O)N1CCCn2nc(CNc3nnnn3c3ccccc3)cc2C1	EMOLS-id_46087543,ZINC22_91943972,PC-id_72923779,MCULE-4452438276	381.435	BTXGWENKUZTTPT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102405
s1c2CCCCCc2cc1C(=O)NCc1cc(OC)c(OC(F)F)cc1	PC-id_9261522	381.437	UBOFWJJNASSZEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102406
FC(Oc1ccc(cc1)CN(C(=O)Nc1nc2c(s1)CCCCC2)C)F	PC-id_112825179	381.44	KMGKGERLTIRQHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102407
c1(C(O)c2ccccc2)cc2n(CCCN(Cc3ccc(c(OC)c3)F)C2)n1	EMOLS-id_50528449,PC-id_90648057,MCULE-3064965761	381.443	UOUASPSTUZBXLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102408
CNC(=O)CCc1c(/C=C/2C(=O)Nc3c2cc(F)cc3)[nH]c2c1CCCCC2	SCHEMBL6694643,PC-id_60113747	381.443	KVQGYZSANYPLTP-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-102409
COc1cc(ccc1F)CN1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O	PC-id_100024663	381.443	UOUASPSTUZBXLZ-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102410
COc1cc(ccc1F)CN1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O	PC-id_100024666	381.443	UOUASPSTUZBXLZ-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102411
Fc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)NC)C(=O)Nc2cc1	PC-id_72651835	381.443	KVQGYZSANYPLTP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-102412
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C1OCCC1)C(=O)OC	PC-id_78625226	381.443	MAQFVYNOSXPPDQ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-102413
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)[C@H]1OCCC1)C(=O)OC	PC-id_8175628	381.443	MAQFVYNOSXPPDQ-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-102414
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)[C@@H]1OCCC1)C(=O)OC	PC-id_8175629	381.443	MAQFVYNOSXPPDQ-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-102415
FC1CN(C1)CCc1cc2n(n1)CCC(C(=O)N2C)NC(=O)OC(C)(C)C	SCHEMBL18367434	381.445	KJFVICITMIUXQZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-102416
c1(c(C)[nH]c(c2ccc(cc2)F)n1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_324121165,PC-id_146046988,MCULE-2408539587,ZINC22_1857672344	381.447	SPQYQDRKZVSJRC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102417
c1(C(O)c2ccnn2C)cc2n(CCCN(CC=Cc3ccc(cc3)F)C2)n1	MCULE-4026664894,PC-id_91765619	381.447	XCZPLKLSPFTTJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102418
CCc1cc(nn1CC(=O)N1CCc2c(CC1)cn[nH]2)c1ccc(c(c1)C)F	SCHEMBL15006260,PC-id_89611414	381.447	XISNGJORFMDZMY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102419
C=C/C=C/1C(=C/CC)Nc2c(CN1C(=O)c1ccc(cc1F)CN)cnn2C	PC-id_143188737	381.447	IRKODLJQYNGPQX-JRGWAENISA-N	00000000100000110101000000000010000000000000000000000000	31-01-102420
Cn1ncc2c1CCCN(C(=O)C1CCN(c3ccc(C#N)cc3F)CC1)C2	EMOLS-id_101678249,ZINC22_334000199	381.447	RALAVYWTGDVXIW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102421
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C/C=C/c1ccc(F)cc1)C2	PC-id_100027385,ZINC22_218829267	381.447	XCZPLKLSPFTTJK-XAFBZQIESA-N	00000000100000110101000000000010000000000000000000000000	31-01-102422
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C/C=C/c1ccc(F)cc1)C2	PC-id_100027387,ZINC22_218829351	381.447	XCZPLKLSPFTTJK-ZZNNXKBLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102423
Cn1nccc1C(O)c1cc2CN(C/C=C/c3ccc(F)cc3)CCCn2n1	EMOLS-id_55618552	381.447	XCZPLKLSPFTTJK-DUXPYHPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102424
COC(=O)CCC(=O)N1CCc2nc(C(=O)N3CCOCC3)sc2CC1	EMOLS-id_44303996,PC-id_97442538,ZINC22_96147014	381.447	AFUQEXIZUMSHNX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102425
NCc1ccc(cc1F)C(=O)N1Cc2cnn(c2NC(=C)/C/1=CC=C(C)C)C	PC-id_143188657	381.447	LXAVHRKQDORBGS-UFWORHAWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102426
C=CCN1C(=O)c2ccc(C(=O)Nc3nc4c(s3)CCCCC4)cc2C1=O	EMOLS-id_29676032,MCULE-6375867612,PC-id_45864707,ZINC22_12827832,CoCoCo_4546158	381.448	PKFBKUBSRGUFFL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102427
O=C(N1CCCCc2c1ccs2)c1ccc(nc1)NC(=O)c1ccoc1C	SCHEMBL6989377,PC-id_21467168	381.448	GAMCQUJZTCIIRI-UHFFFAOYSA-N	00000000101000101100000000000010000000000000000000000000	31-01-102428
s1c2CCCCCc2cc1C(=O)NNC(=O)c1onc(c2ccccc2)c1	PC-id_46492059	381.448	TULAUILSCPDRQS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102429
s1c2c(CCCCC2)c(c1NC(=O)c1onc(c1)c1ccccc1)C(=O)N	PC-id_55667079	381.448	SVSYBGRGSFAZAR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102430
s1c2CCCCCc2c(c1NC(=O)COc1c(OC)cc(cc1)C#N)C#N	PC-id_45724398	381.448	XFSUOJMZIKYMFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102431
s1c2CCCCCCc2c(c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C#N	PC-id_4147121	381.448	PEOOPIYQUZPPQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102432
s1c2CCCCCCc2c(c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C#N	PC-id_6021165	381.448	PEOOPIYQUZPPQM-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102433
s1c2CCCCCCc2c(c1NC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C#N	PC-id_4638724	381.448	VFLXVKGFGRFZMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102434
s1c2CCCCCCc2c(c1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C#N	PC-id_6172453	381.448	VFLXVKGFGRFZMG-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102435
Cc1noc(C)c1S(=O)(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922693,MCULE-1204873215,EMOLS-id_50586061	381.45	XWRRJXIUFSCRSD-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-102436
CC(C)c1cc(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)no1	PC-id_72852712,ZINC22_91381483,EMOLS-id_46036041,MCULE-7479051691	381.45	VKJIGMMLJBMQRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102437
CC(C)c1cc(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)on1	MCULE-7047804612,ZINC22_91586911,PC-id_72875759,EMOLS-id_46052483	381.45	QRUVMUUBMQDQGF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102438
c1(cnn(C)c1C)c1noc(c1)C(=O)Nc1sc2CCCCCc2c1C#N	MCULE-5752116136,ZINC22_13641866,TIMTEC396072,EMOLS-id_8867103,PC-id_19590808	381.451	QBNQPWDTCRMNFU-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-102439
c1(C(=O)N)cn2c(CCN(CC2)C(=O)Cc2csc(c3ccccc3)n2)n1	MCULE-5615697333,EMOLS-id_331105839,ZINC22_1875246137	381.451	IWNYVUNBZFPQMQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102440
Cc1csc(c1)C(=O)N1CCCn2cnc(C(=O)Nc3cccnc3)c2C1	EMOLS-id_313789241,ZINC22_1565546202	381.451	VNVPZSXJNWOLLW-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-102441
Cc1csc(c1)C(=O)N1CC(Cn2ncnc2C1)C(=O)Nc1ccccc1	EMOLS-id_313722582	381.451	YOQZWIGKYNZAAS-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-102442
Cc1csc(C(=O)N2Cc3ncnn3C[C@H](C(=O)Nc3ccccc3)C2)c1	ZINC22_1565547923	381.451	YOQZWIGKYNZAAS-CQSZACIVSA-N	00000000100100110101000000000010000000000000000000000000	31-01-102443
Cc1csc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)Nc3ccccc3)C2)c1	ZINC22_1614929351	381.451	YOQZWIGKYNZAAS-AWEZNQCLSA-N	00000000100100110101000000000010000000000000000000000000	31-01-102444
O=C1Nc2cc(sc2CCC1C(c1nnc([nH]1)C(=O)N)c1ccccc1)C	SCHEMBL19031585	381.451	KYNQCUODEVIWPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102445
O=C1Nc2cc(sc2CCC1NC(=O)c1nnc([nH]1)Cc1ccccc1)C	SCHEMBL19031661	381.451	GPUJYAMWQJIADX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102446
O=C(CN1CCCc2sccc2C1=O)Nc1ccn(Cc2ccccn2)n1	PC-id_71878184,MCULE-4800245232,ZINC22_84610185,EMOLS-id_44566566	381.451	WZSCXCFDLIEGRM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102447
O=C(NCc1ccccc1)c1ccc2CCN(CCn12)C(=O)c1csnn1	ZINC22_1565546143,EMOLS-id_313773005	381.451	URSQBGASGKGROB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102448
O=C(NCc1ccccc1)c1nc2CCN(CCc2s1)C(=O)c1cc[nH]n1	ZINC22_1146836148,EMOLS-id_313791802	381.451	JQXXRUFZRUYHDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102449
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1nc(ccc1)C)C)c1occc1	PC-id_74794780	381.451	DTPLXMRWXYWQEJ-UHFFFAOYSA-O	00000000101000101101000000000010000000000000000000000000	31-01-102450
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1nc(ccc1)C)C)c1occc1	PC-id_42397040	381.451	DTPLXMRWXYWQEJ-OAHLLOKOSA-O	00000000101000101101000000000010000000000000000000000000	31-01-102451
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1nc(ccc1)C)C)c1occc1	PC-id_42397041	381.451	DTPLXMRWXYWQEJ-HNNXBMFYSA-O	00000000101000101101000000000010000000000000000000000000	31-01-102452
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(n2ccnc2)nc1	PC-id_60395529	381.451	BCYKDWUAXBUMAP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102453
s1c2CCCCCc2cc1C(=O)NNC(=O)c1nn(nc1)c1ccccc1	PC-id_60347440	381.451	AFAIUTVYVGFVEH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102454
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(nc1)n1nccc1)C(=O)N	PC-id_55538754	381.451	RFPRHKFEQCWQNL-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102455
Cc1ccc(S(=O)(=O)N2CCCn3cnc(COC(C)C)c3C2)cc1F	PC-id_97405869,ZINC22_96085051,EMOLS-id_46183123	381.465	HXJZXPVVQNFMCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102456
S(=O)(=O)(N1C(Cc2sccc2CC1)C(=O)OC)c1ccc(OC)cc1	PC-id_56987779	381.466	LLQOXVNBTSSRBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102457
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)C1(CCCC1)c1ccccc1	ZINC22_72447116,PC-id_56902994,MCULE-3462517748,EMOLS-id_43138780	381.468	YKHRJIBIAZJCRA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102458
Cc1ccc(cc1)CC(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100972453	381.468	RJQMEHRKIUOMQL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102459
CC1CCCCN1C(=O)c1ccc(cc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100940343	381.468	HTILIVMLSBYPDO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102460
CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100946751	381.468	PZBIQMWDCLROEC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102461
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)C)C	SCHEMBL19702850	381.468	CVGQZLIKBXWDAX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-102462
O=C(C1CCCC1)Nc1cccc(c1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100944513	381.468	YSYKCUVBUWJRRQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102463
O=C(c1ccc(c(c1)C)NC(=O)c1noc2c1CCCCC2)NC1CCCC1	EMOLS-id_100958871	381.468	DBIVELSVTMAZFZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102464
O=C(c1ccccc1)N1CCC(CC1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100097829	381.468	OZNHDVLEECAKIV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102465
O=C(c1ccccc1)NCC1CCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100092567	381.468	YZGKOJYGEWIUHV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102466
O=C(c1ccc(cc1)NC(=O)c1noc2c1CCCCC2)N1CCCCCC1	EMOLS-id_100940280	381.468	VUPPJVARKUBBTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102467
O=C(c1ccc(cc1)NC(=O)c1noc2c1CCCCC2)NC1CCCCC1	EMOLS-id_100946721	381.468	LVSLTBXAUFMIHG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102468
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1cccc(c1)OCCCNC1CC1	PC-id_21953159,SCHEMBL6093361	381.468	PVRXCYFICANKRE-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-102469
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1ccc(cc1)OCCCNC1CC1	SCHEMBL6093431,PC-id_21953167	381.468	LVQHDYYBWIJZHD-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-102470
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1cccc(c1)OCCN1CCCC1	SCHEMBL6094507,PC-id_21953151	381.468	UFOGBJDNVCXNDR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-102471
O=C(N1CCC(C1)NC(=O)c1noc2c1CCCCC2)CCc1ccccc1	EMOLS-id_100095528	381.468	LWKLTBLWJDLLTO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102472
O=C(NC1(CCCC1)C(=O)N1CCCc2c(C1)cco2)NCc1ccccc1	EMOLS-id_100663808	381.468	OHTOURADAGTTCN-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-102473
OC(=O)C1(C)C#CN(c2n(C1=O)nc(c2)C(C)C)CCCC1CCC=CC=C1	PC-id_145672456	381.468	TWENAQFUWZWYGV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-102474
CC(C)Oc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625669	381.47	LECMIHHDRLHDNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102475
CCN1C(=CSC1=C(c1nnc2n1CCCCC2)C#N)c1ccc(cc1)F	MCULE-2830381724,PC-id_4229103	381.47	JFVUDXKWJOEWNA-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-102476
CCN1C(=CS/C/1=C(c1nnc2n1CCCCC2)/C#N)c1ccc(cc1)F	PC-id_2316908,CoCoCo_3731592	381.47	JFVUDXKWJOEWNA-SILNSSARSA-N	00000011100000110101100000000010000000000000000000000000	31-01-102477
CCN1C(=CS/C/1=C(/c1nnc2n1CCCCC2)C#N)c1ccc(cc1)F	PC-id_2316909,CoCoCo_3731593	381.47	JFVUDXKWJOEWNA-CAPFRKAQSA-N	00000011100000110101100000000010000000000000000000000000	31-01-102478
CCOc1c(cc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2)C	PC-id_90625657	381.47	UWZOHIDJNCXTJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102479
COc1ccc(S(=O)(=O)N)cc1C(=O)Nc1nc2c(s1)CCCCC2	ZINC22_12829418,CoCoCo_4564219,PC-id_24611809,EMOLS-id_44040771,MCULE-1555881053	381.47	PUWCMGGSVKVBRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102480
c12CN(CCCn1nc(C)c2)C(=O)Nc1cccc(c1)C(=O)N1CCCCC1	ZINC22_299765784,EMOLS-id_68882888,MCULE-7947086037,PC-id_118766815	381.471	AZWSPQVPADFWSC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102481
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1)N1CCCC1)c2)C(=O)C	ZINC22_91986944,PC-id_70777472,MCULE-5008943257,EMOLS-id_44448891	381.471	YJGRCKCENJKGHY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102482
c12CN(CCCn1nc(CNC(=O)c1cccn1C1CC1)c2)C(=O)C1CCC1	ZINC22_91411772,EMOLS-id_46037729,PC-id_72855109,MCULE-2356692700	381.471	KYJOKINAUZOPOF-UHFFFAOYSA-N	00101000110000000101100000000010000000000000000000000000	31-01-102483
c12CN(CCCn1nc(CNC(=O)CCc1ccccn1)c2)C(=O)C1CCC1	MCULE-7106491928,ZINC22_82158519,EMOLS-id_44449333,PC-id_70778699	381.471	ZBNKRRNFFZOZMY-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-102484
c12CN(CCCn1nc(CNC(=O)CCc1cccnc1)c2)C(=O)C1CCC1	EMOLS-id_46076451,PC-id_72908619,MCULE-1283787622,ZINC22_91794425	381.471	CVSGCZGPGHRKJH-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-102485
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc2c(c1)n(C)cc2	PC-id_72868683,ZINC22_91535418,MCULE-2935612082,EMOLS-id_46047433	381.471	QOMGUJCFXNKAFH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102486
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc2c(ccn2C)c1	PC-id_72892808,MCULE-2531681260,EMOLS-id_46064909,ZINC22_91664895	381.471	IFBMZLULHZZDQU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102487
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cccc2c1ccn2C	PC-id_72869863,ZINC22_91547354,MCULE-5205922226,EMOLS-id_46048263	381.471	IEIBTHNMTZPYPV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102488
C1(CC(=O)N(Cc2ccccn2)C1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_46056809,MCULE-3011735789,PC-id_72881707	381.471	JRGZKRSESFRZBC-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-102489
c1(CN2CCCn3c(cc(n3)C(C)O)C2)c(C)n(n(c2ccccc2)c1=O)C	EMOLS-id_50539807,PC-id_90651160,MCULE-1991140183	381.471	JTEFYUKNOALJNG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102490
c1(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)oc2c(cccc2)c1C	PC-id_70779159,MCULE-8993714139,EMOLS-id_44449493,ZINC22_82156895	381.471	HAWJCVSKJQABGY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102491
c1(cn2c(CCN(CCc3ccccc3)CC2)n1)C(=O)N1CCCNC(=O)C1	ZINC22_1940196644,EMOLS-id_336507571,MCULE-9271026463	381.471	XMWRCKCIVLBKNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102492
c1(CN(C)C(=O)Nc2ccc(cc2)N2CCCC2=O)c2CCCCCc2[nH]n1	EMOLS-id_49168978,PC-id_72912678,ZINC22_96162101,MCULE-7699187573	381.471	MPDRCNWQSQOAKI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102493
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3ccccc3OCC)C2)n1	EMOLS-id_50543989,MCULE-5676229410,PC-id_90652254	381.471	VFOSRBVQOVOPBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102494
c1(C(=O)N2C[C@H]([C@H](c3ccc(cc3)C)C2)NC(=O)C)nnc2CCCCCn12	MCULE-8013156747,ZINC22_95528610,PC-id_72931044,EMOLS-id_48647584	381.471	CGHLHAXKPLAXEB-ZWKOTPCHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102495
c1(C(=O)NC2CN(C(=O)C2)CC)cc2n(CCCN(Cc3ccccc3)C2)n1	MCULE-4231946236,EMOLS-id_32435778,PC-id_50983965	381.471	IPZQFOKGBXNXND-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102496
c1(C(=O)NCc2ccc(cc2)C(=O)N2CCCCC2)cn2c(CCNCC2)n1	EMOLS-id_330414808,MCULE-6383984473,ZINC22_1857709983	381.471	BOUQORYWHPHULT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102497
c1(C(=O)NC(C)c2n(CCOC)c3c(cccc3)n2)c2CCCCCc2n[nH]1	EMOLS-id_54883085,PC-id_91639565,MCULE-3617479866	381.471	QFMJQEQYMDGGQK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102498
c1(C(=O)NCCc2n(CCOC)c3c(cccc3)n2)c2CCCCCc2n[nH]1	MCULE-9113246665,EMOLS-id_50597032,PC-id_91821653,EMOLS-id_54879584,STOCK7S-52561	381.471	PYTZCPSSODRTHS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102499
c1(C(=O)N[C@@H](C)c2n(CCOC)c3c(cccc3)n2)c2CCCCCc2[nH]n1	MCULE-2339864488,EMOLS-id_50229329,STOCK7S-49129	381.471	QFMJQEQYMDGGQK-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102500
CC1(C)Cc2n[nH]cc2CN(C(=O)Nc2ccccc2N2CCCCC2=O)C1	MCULE-4469677303,EMOLS-id_316877804,ZINC22_888102030	381.471	VCRWEXWPOVTSGR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102501
Cc1ccc(cc1)CN1C(=O)CCC1C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_189717881,MCULE-3417323782	381.471	JRUQDTVKHUOELI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102502
Cc1ccc(CCC(=O)N2CCc3nnc(CNC(=O)C4CC4)n3CC2)cc1	PC-id_42435387,ZINC22_12157566,MCULE-8982685796,EMOLS-id_232706532,CoCoCo_1154571	381.471	XCEAKJQHYOHQKI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-102503
Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2nnc3n2CCCCC3)cc1	ZINC22_173241094	381.471	JRUQDTVKHUOELI-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102504
Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2nnc3n2CCCCC3)cc1	ZINC22_173241104	381.471	JRUQDTVKHUOELI-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102505
Cc1cc(c(n1Cc1ccco1)C)C(=O)N(C)C1CCc2nnc(n2CC1)C	EMOLS-id_50590450,MCULE-4962536918,PC-id_91922634	381.471	ILALUHKWBWXLJG-UHFFFAOYSA-N	00000000111000000101000000000010000000000000000000000000	31-01-102506
Cc1cc(C)n(c2cccc(CN3CCCn4nc([C@H](O)CO)cc4C3)c2)n1	PC-id_100066650,ZINC22_221282637	381.471	XHUJLUWADRNGBO-OAQYLSRUSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102507
Cc1cc(C)n(c2cccc(CN3CCCn4nc([C@@H](O)CO)cc4C3)c2)n1	ZINC22_221282680,PC-id_100066651	381.471	XHUJLUWADRNGBO-NRFANRHFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102508
Cc1cc(C)n(n1)c1cccc(CN2CCCn3nc(cc3C2)C(O)CO)c1	EMOLS-id_50543863,MCULE-1599962865,PC-id_90652218	381.471	XHUJLUWADRNGBO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102509
Cc1c(CN2CCCn3nc([C@H](C)O)cc3C2)c(=O)n(c2ccccc2)n1C	PC-id_100065716,ZINC22_221176408	381.471	JTEFYUKNOALJNG-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102510
Cc1c(CN2CCCn3nc([C@@H](C)O)cc3C2)c(=O)n(c2ccccc2)n1C	ZINC22_221176349,PC-id_100065715	381.471	JTEFYUKNOALJNG-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102511
CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316695190	381.471	XJBWBQSOJUUFHH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102512
CCc1cccc(NC(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)c1	ZINC22_96259377,EMOLS-id_44370302,PC-id_97519461	381.471	PUHTZWGXZOUTIH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102513
CCc1ccc(NC(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)cc1	EMOLS-id_44370304,ZINC22_96259378,PC-id_97519462	381.471	ANYDZIWNPXFWCR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102514
CCC(c1nnc2n1CCCCC2)NC(=O)[C@H](N1Cc2c(C1=O)cccc2)C	EMOLS-id_316584232	381.471	DFIOWKUFBHVBBN-XPCCGILXSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102515
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccc2c(c1)c(C)c(o2)C	EMOLS-id_100376904	381.471	ADHUNGLXCNUJPG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102516
CC(C)C(=O)NCCc1nnc2CCN(Cc3cc4ccccc4o3)CCn12	ChEMBL-DNDi_CHEMBL27989124,EMOLS-id_232726397,MCULE-9106937164,ZINC22_20600865,PC-id_29088044	381.471	YFHHCHMXHSXIQP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102517
CC[C@@H](O)c1cc2n(n1)CCCN(Cc1cnn(c3ccccc3OC)c1)C2	PC-id_100054720,ZINC22_220222069	381.471	LXGYAIDFOYJNHG-HXUWFJFHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102518
CC[C@H](O)c1cc2n(n1)CCCN(Cc1cnn(c3ccccc3OC)c1)C2	ZINC22_220222151,PC-id_100054722	381.471	LXGYAIDFOYJNHG-FQEVSTJZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102519
CCC(O)c1cc2CN(Cc3cnn(c3)c3ccccc3OC)CCCn2n1	MCULE-9654075394,EMOLS-id_50536367,PC-id_90650202	381.471	LXGYAIDFOYJNHG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102520
C[C@H](O)c1cc2n(n1)CCCN(Cc1ccccc1OCCn1ccnc1)C2	ZINC22_221415714,PC-id_100067841	381.471	RMPRXKOHGTZXLG-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102521
C[C@@H](O)c1cc2n(n1)CCCN(Cc1ccccc1OCCn1ccnc1)C2	ZINC22_221415766,PC-id_100067842	381.471	RMPRXKOHGTZXLG-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102522
CCN1C[C@H](NC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3)CC1=O	PC-id_95147861,ZINC22_65529413	381.471	IPZQFOKGBXNXND-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102523
CCN1C[C@@H](NC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3)CC1=O	ZINC22_65529415,PC-id_95147862	381.471	IPZQFOKGBXNXND-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102524
CCN1CCN(CC1)C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	EMOLS-id_32845986,MCULE-5249421350,PC-id_50798081	381.471	RYJORPLISZLAKT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102525
CCn1nc2CCC(CCn2c1=O)C(=O)NCCc1c[nH]c2ccc(C)cc12	MCULE-9868332341,EMOLS-id_207876860	381.471	YYNBTDXLLIQWBI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102526
CC(O)c1cc2CN(Cc3ccccc3OCCn3ccnc3)CCCn2n1	PC-id_90653638,MCULE-7366295494,EMOLS-id_50549013	381.471	RMPRXKOHGTZXLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102527
CCOc1ccccc1CN1CCCn2nc([C@H](O)c3ccnn3C)cc2C1	PC-id_100066682,ZINC22_221285979	381.471	VFOSRBVQOVOPBH-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102528
CCOc1ccccc1CN1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1	ZINC22_221286036,PC-id_100066683	381.471	VFOSRBVQOVOPBH-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102529
CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCc1cc2CNCCCn2n1	PC-id_70717126,ZINC22_72407582,EMOLS-id_43077251,MCULE-8207209556	381.471	UJTZQAZAVDJWQS-TZIWHRDSSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102530
CC(=O)N[C@H]1CN(C(=O)c2nnc3n2CCCCC3)C[C@@H]1c1ccc(C)cc1	ZINC22_1565529681	381.471	CGHLHAXKPLAXEB-MSOLQXFVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102531
[C@@H]1(C(=O)NCc2cc3n(CCCN(C3)C(=O)N(C)C)n2)C[C@H]1c1ccccc1	EMOLS-id_44450131,ZINC22_92022818,MCULE-9666572566,PC-id_70781070	381.471	WFQHECAVFFPKNJ-RBUKOAKNSA-N	00100000100000110101100000000010000000000000000000000000	31-01-102532
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1	ZINC22_91625134,PC-id_97128904	381.471	JRGZKRSESFRZBC-OAHLLOKOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-102533
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1	ZINC22_91625135,PC-id_97128905	381.471	JRGZKRSESFRZBC-HNNXBMFYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-102534
CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2C1	ZINC22_222214394	381.471	WFQHECAVFFPKNJ-MOPGFXCFSA-N	00100000100000110101100000000010000000000000000000000000	31-01-102535
COCc1nnc2CCC(CCn12)NC(=O)CCCc1c[nH]c2ccccc12	MCULE-6934425326,PC-id_91922595,EMOLS-id_50590317	381.471	ZOROATGMIMAKPV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102536
COCCn1c([C@@H](C)NC(=O)c2[nH]nc3c2CCCCC3)nc2ccccc12	ZINC22_252497390	381.471	QFMJQEQYMDGGQK-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102537
n12CCN(CCc1nnc2CNC(=O)c1ccccc1)C(=O)C1CCCCC1	ZINC22_11787761,MCULE-2309760566,PC-id_42168194,EMOLS-id_20426593,CoCoCo_1167770	381.471	ZSCMWHNLWLNZTB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102538
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)CN1CCCCCC1=O	MCULE-6885319286,EMOLS-id_337789560,ZINC22_2356163512	381.471	GXNAAKVOCBOTBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102539
n1c(CNC(=O)C2CCN(CC2)C(=O)c2ccccn2)c2c(CCCCC2)[nH]1	EMOLS-id_222783121,MCULE-4164662513,ZINC22_670462954	381.471	VQSSCRVLAHDWRO-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-102540
O=C1CCC(N1)c1ccccc1NC(=O)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_316715748	381.471	YLVGGAZIGOCJHH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102541
O=C1CN(Cc2ccccc2)C(=O)c2c(N1)nc(s2)Sc1ccccc1	PC-id_142739085	381.471	HCEONBDHBZANFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102542
O=c1n2CCCCCc2nn1CC(=O)Nc1cc2c(n(CC(C)C)cc2)cc1	PC-id_56270024	381.471	TZKFHUFFQUTUCB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102543
O=C1N(CC(C1)c1ccccc1)CC(=O)N1CCn2c(nnc2C(C)C)CC1	PC-id_45220276	381.471	BYVZMEJTRKNCGM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102544
O=C1N(CCC1)c1ccc(CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51304519	381.471	IIOLSVHTHCNNKL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102545
O=C1N(CC(C1)C(=O)NCc1n2CCCCCc2nn1)c1c(c(ccc1)C)C	PC-id_46524846	381.471	XXGMAZOPUIUBAZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102546
O=C1N(CC(C1)C(=O)NCc1n2CCCCCc2nn1)c1c(CC)cccc1	PC-id_51266309	381.471	CPQPNXUKBDUQLO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102547
O=C1N(CC(C1)C(=O)NCc1n2CCCCCc2nn1)CCc1ccccc1	PC-id_51266296	381.471	WXSSMWNDXHAQMZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102548
O=C1N(CC(C1)C(=O)NCCc1n2CCCCCc2nn1)Cc1ccccc1	EMOLS-id_36628495,PC-id_53533634,MCULE-4133305488	381.471	ZWAAOSYASHIHSN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102549
O=C1N(CCCC1)c1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51304525	381.471	JHDDAQJOWHWSBA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102550
O=C1N(CCCn2nc(cc12)C(=O)NCCN1CCCC1)Cc1ccccc1	PC-id_50798084,EMOLS-id_32846044,MCULE-1422397329	381.471	TZFSSEJAQAQCEW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102551
O=C(c1ccccn1)[C@@H]1CCCN(C(=O)CCc2cc3n(n2)CCCNC3)C1	ZINC22_72428850	381.471	FWKDRSYZOYFNJJ-MRXNPFEDSA-N	00000000100010101101000000000010000000000000000000000000	31-01-102552
O=C(c1ccccn1)[C@H]1CCCN(C(=O)CCc2cc3n(n2)CCCNC3)C1	ZINC22_72428851	381.471	FWKDRSYZOYFNJJ-INIZCTEOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-102553
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)C(=O)N1CCCCC1C	EMOLS-id_278115356	381.471	QESMLQXPBIPPNS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102554
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)C(=O)NC1CCCCC1	EMOLS-id_278121738	381.471	AEPQVZKHOWRNIE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102555
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)NC(=O)C1CCCCC1	MCULE-4898217608,EMOLS-id_320277529	381.471	SURXPGMLBPFJEU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102556
O=C(CCc1cc2CNCCCn2n1)N1CCCC(C1)C(=O)c1ccccn1	MCULE-1954739138,PC-id_70741267,EMOLS-id_43120803	381.471	FWKDRSYZOYFNJJ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-102557
O=C([C@@H](N1CCCC1)C)N1CCCn2c(C1)cc(n2)C(=O)Nc1ccccc1	PC-id_95147355	381.471	VKYYAVXPAFVXLQ-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102558
O=C([C@H](N1CCCC1)C)N1CCCn2c(C1)cc(n2)C(=O)Nc1ccccc1	PC-id_95147356	381.471	VKYYAVXPAFVXLQ-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102559
O=C(C(N1CCCC1)C)N1CCCn2c(C1)cc(n2)C(=O)Nc1ccccc1	EMOLS-id_32434216,PC-id_50983119,MCULE-9293453271	381.471	VKYYAVXPAFVXLQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102560
O=C(N1CCc2c1ccc(c2)C(=O)NCCc1n2CCCCCc2nn1)CC	PC-id_55790711	381.471	QKFVRCCUQZMZDJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102561
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1C(=O)N1CCCC1)C	EMOLS-id_101947023	381.471	GNUZYOLQCOAJNS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102562
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)C(=O)N1CCCCC1	EMOLS-id_101954988	381.471	YMXYMPXASNGGAR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102563
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1C(=O)N1CCCCC1	EMOLS-id_101965209	381.471	JMDNWHFMDNTZDY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102564
O=C(N1CCCc2c(C1)cnn2C)NC(C(=O)N1C(C)Cc2c1cccc2)C	EMOLS-id_101706425	381.471	OEZWVGPGRDHFID-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102565
O=C(N1CCC(CC1)C(=O)c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_86927501	381.471	RWGNZCCIRJOHLN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102566
O=C(N1CCCC(C1)C(=O)N1CCCc2c(C1)cnn2C)Nc1ccccc1	EMOLS-id_101847817	381.471	MCYAPZWJGADOSA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102567
O=C(N1CCC(CC1)C(=O)N)c1nn2c(CN(CCC2)Cc2ccccc2)c1	PC-id_50981441	381.471	ZQPVUTJSTJALGW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102568
O=C(N1CCn2c(CC1)nnc2C(C)C)CN1C[C@H](CC1=O)c1ccccc1	CoCoCo_1441494	381.471	BYVZMEJTRKNCGM-KRWDZBQOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102569
O=C(N1CCn2c(CC1)nnc2C(C)C)CN1C[C@@H](CC1=O)c1ccccc1	CoCoCo_1441495	381.471	BYVZMEJTRKNCGM-QGZVFWFLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102570
O=C(N1CCn2c(nnc2CCc2ccccc2)CC1)C1CCC(NC1=O)C	PC-id_76402722	381.471	PDKFSUIOOKAFKE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102571
O=C(NC1C(NC(=O)C)Cc2c1cccc2)CCc1nn2c(CNCCC2)c1	PC-id_77900502	381.471	UJTZQAZAVDJWQS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102572
O=C(NCc1n2CCCCCc2nn1)c1c(n(c2c1cccc2)CCOC)C	PC-id_46975653	381.471	CDFLMVIMRHPJEQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102573
O=C(NCc1nn2c(CN(CCC2)C(=O)N(C)C)c1)C1C(C1)c1ccccc1	PC-id_77918616	381.471	WFQHECAVFFPKNJ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-102574
O=C(NCCc1n2CCCCCc2nn1)C(NC(=O)C=Cc1ccccc1)C	PC-id_55555211	381.471	JKBQLDHXUDVLTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102575
O=C(NCCc1nnc2n1CCCCC2)[C@@H]1CC(=O)N(Cc2ccccc2)C1	PC-id_93906846,ZINC22_42762850	381.471	ZWAAOSYASHIHSN-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102576
O=C(NCCc1nnc2n1CCCCC2)[C@H]1CC(=O)N(Cc2ccccc2)C1	PC-id_93906848,ZINC22_42762854	381.471	ZWAAOSYASHIHSN-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102577
CN1C[C@H](NC(=O)c2cn3c(n2)CCNCC3)c2sccc2S1(=O)=O	ZINC22_1857711600	381.473	ILRHKEOJVGXBMD-JTQLQIEISA-N	00000000100010000101000000010010000000000000000000000000	31-01-102578
CN1C[C@@H](NC(=O)c2cn3c(n2)CCNCC3)c2sccc2S1(=O)=O	ZINC22_1857711602	381.473	ILRHKEOJVGXBMD-SNVBAGLBSA-N	00000000100010000101000000010010000000000000000000000000	31-01-102579
CN1CC(NC(=O)c2cn3CCNCCc3n2)c2sccc2S1(=O)=O	MCULE-2449740124,EMOLS-id_330409687	381.473	ILRHKEOJVGXBMD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-102580
COC(=O)c1c(NC(=O)CSc2nnnn2C)sc2c1CCCCC2	EMOLS-id_5115277,PC-id_2689444,MCULE-7810309053,ZINC22_3571157,CoCoCo_2937988	381.473	HCXPWHOJTOTTKQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102581
COC(=O)Cc1csc(n1)NC(=O)CSc1nnc2n1CCCCC2	MCULE-6257498100,PC-id_7877002,EMOLS-id_257838616	381.473	IWFMZLXMWFAOFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102582
NS(=O)(=O)c1cccc(NC(=O)CSc2nnc3n2CCCCC3)c1	EMOLS-id_42660087,CoCoCo_3081518,ZINC22_6097264,MCULE-9748963790,PC-id_7876772	381.473	JNZPBRDTGLSCKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102583
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1	PC-id_7876770,MCULE-4397476123,EMOLS-id_42660089,ZINC22_6097261,CoCoCo_3081517	381.473	BMRVLDZBVXWMCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102584
s1c2c(CCCCC2)c(c1NC(=O)CSc1nc([nH]n1)N)C(=O)OC	PC-id_2680688	381.473	FMIKNGRBIAAJCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102585
C1CCc2nnc(n2CC1)/C(=C(/C[NH+]1CCN(CC1)c1cccc[nH+]1)O)/C#N	PC-id_135666955	381.475	DOZJQHVTLKBEPE-MSUUIHNZSA-P	00000000100010101101100000000010000000000000000000000000	31-01-102586
c1(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)n(C)c2c(cccc2)n1	ZINC22_82126915,EMOLS-id_44441977,MCULE-2946499743,PC-id_70757368	381.475	OVYMYOFHEYOTSP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102587
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3ccc(nc3)N(C)C)C2)n1	EMOLS-id_55635462,PC-id_91771554,MCULE-9429867909	381.475	ODSMNAGSLJRBQL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102588
Cc1cc(C(=O)NCCc2nnc3n2CCCCC3)c2cnn(C(C)C)c2n1	EMOLS-id_316761048,ZINC22_121800805,MCULE-1142706183	381.475	BBOJNKHZLBQRHT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102589
Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCc1nnc2n1CCCCC2	PC-id_17537354,EMOLS-id_16788416,ZINC22_12769626,MCULE-5190726561,CoCoCo_4663522	381.475	RLPVINSAFFHLQZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102590
Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3nnc4n3CCCCC4)c12	EMOLS-id_18822639,ZINC22_12740604,MCULE-9851685076,CoCoCo_4625799,PC-id_25474212	381.475	UUDIQJPIZYFZEW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102591
CC(C(c1nnc2n1cccc2)NC(=O)N1Cc2cn[nH]c2CC(C1)(C)C)C	EMOLS-id_316878571,MCULE-3965456669	381.475	BRYIXFREKYWQTP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102592
s1c2CCN(CCc2cc1C(=O)Nc1ccc(cc1)C(=O)O)Cc1ccccc1	PC-id_13072083	406.497	AXKJVHYHYUYWCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117644
CC(C)[C@H](NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1nnc2ccccn12	ZINC22_663177964	381.475	BRYIXFREKYWQTP-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102593
CC(C)[C@@H](NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1nnc2ccccn12	ZINC22_663177965	381.475	BRYIXFREKYWQTP-QGZVFWFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102594
CN(C)c1ccc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)cn1	PC-id_100043069,ZINC22_219538350	381.475	ODSMNAGSLJRBQL-HXUWFJFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102595
CN(C)c1ccc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)cn1	ZINC22_219538424,PC-id_100043071	381.475	ODSMNAGSLJRBQL-FQEVSTJZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102596
CN=C(NC1CN(C(=O)C1)c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111912996	381.475	MWVGOGHMFLXRHN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102597
O=C(C[NH+]1CCN(CC1)c1[nH+]cccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78738408	381.475	IUYSXPCXLCVPNZ-UHFFFAOYSA-P	00000011000010101111100000000010000000000000000000000000	31-01-102598
O=C(C[NH+]1CCN(CC1)c1[nH+]cccc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8616262	381.475	IUYSXPCXLCVPNZ-CAPFRKAQSA-P	00000011000010101111100000000010000000000000000000000000	31-01-102599
O=C(N1C[C@@H]2[C@H](C1)CCN2Cc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102217018	381.475	OWGSDHMSZJHKDA-PXKIYYGHSA-N	00000010100000110101000000000110000000000000000000000000	31-01-102600
O=C(N1C[C@@H]2[C@H](C1)CN(C2)Cc1ccccc1)NC1CCn2c(CC1)nnn2	MCULE-9384604353,EMOLS-id_102168997	381.475	JSDMYWGHHVWNEH-JWTNVVGKSA-N	00000010100000110101000000000110000000000000000000000000	31-01-102601
O=C(Nc1ccc2c(c1)cn(n2)C(C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_100130838	381.475	SVVGMMCHUIKCJD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102602
O=C(NCc1n2CCCCCc2nn1)CCc1c(n2nc(cc2nc1C)C)C	PC-id_46524819	381.475	AXTAHWWLFPDZQH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102603
O=C(NCc1nnc2n1CCCCC2)NCCCn1c(C)nc2c1cccc2	PC-id_86999988	381.475	NSWCPWRQYJHPCN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102604
O=C(N[C@@H]1CCc2nnnn2CC1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1	ZINC22_333721218	381.475	JSDMYWGHHVWNEH-FGTMMUONSA-N	00000010100000110101000000000110000000000000000000000000	31-01-102605
O=C(N[C@H]1CCc2nnnn2CC1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1	ZINC22_333721227	381.475	JSDMYWGHHVWNEH-KSZLIROESA-N	00000010100000110101000000000110000000000000000000000000	31-01-102606
CN=C(NCc1nnc2n1cccc2)NCCCc1nnc2n1CCCCC2	PC-id_111014853	381.478	IYGFRQUSQMSMLR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102607
s1c2CCCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)C)ccc1F	PC-id_60522022	381.485	PFNWHFVOBHWURD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102608
c1(NC(=O)CC(C)CC(=O)O)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_17378843,EMOLS-id_4059293,TIMTEC47162,MCULE-2796101765	381.486	ALIXTXGUJQEIDT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102609
c1(NC(=O)CCCC(=O)O)sc2c(CCCCCCC2)c1C(=O)OCC	EMOLS-id_4059291,CoCoCo_5811398,ZINC22_2764944,MCULE-6579157786,PC-id_4187493,TIMTEC314787	381.486	MOUFYZSHORGNBI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102610
CCCOC(=O)c1c(NC(=O)C[C@H](C)CC(=O)O)sc2c1CCCCC2	CoCoCo_6834795,ZINC22_17077994,PC-id_27520904	381.486	ALIXTXGUJQEIDT-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102611
CCCOC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)O)sc2c1CCCCC2	CoCoCo_6834796,ZINC22_17077993,PC-id_27520902	381.486	ALIXTXGUJQEIDT-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102612
CN(CCCc1c(/C=C/2C(=O)Nc3c2cc(F)cc3)[nH]c2c1CCCCC2)C	SCHEMBL6701661,PC-id_60113704	381.486	XNAFXWOQIXURHV-RGEXLXHISA-N	00000010100000100100000000001010000000000000000000000000	31-01-102613
Fc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCN(C)C)C(=O)Nc2cc1	PC-id_72651798	381.486	XNAFXWOQIXURHV-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-102614
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(CC(C)C)C(=O)OC	PC-id_85001863	381.486	DXEUHFJCNCJWLD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102615
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(C(CC)C)C(=O)OC	PC-id_85001870	381.486	ULFAGMDUZALEPR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102616
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@@H](CC(C)C)C(=O)OC	PC-id_9402968	381.486	DXEUHFJCNCJWLD-AWEZNQCLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102617
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@H](CC(C)C)C(=O)OC	PC-id_9402976	381.486	DXEUHFJCNCJWLD-CQSZACIVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102618
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@@H]([C@@H](CC)C)C(=O)OC	PC-id_9403003	381.486	ULFAGMDUZALEPR-PXAZEXFGSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102619
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@@H]([C@H](CC)C)C(=O)OC	PC-id_9403014	381.486	ULFAGMDUZALEPR-SJCJKPOMSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102620
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@H]([C@@H](CC)C)C(=O)OC	PC-id_9403027	381.486	ULFAGMDUZALEPR-SJKOYZFVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102621
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@H]([C@H](CC)C)C(=O)OC	PC-id_9403038	381.486	ULFAGMDUZALEPR-YVEFUNNKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102622
s1c2c(CCCCC2)c(c1NC(=O)CCOCC1OCCC1)C(=O)OC	PC-id_55762737	381.486	JPYVRGNZIRYWFO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-102623
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCCCC(=O)OCC	PC-id_24341554	381.486	GFOYMGLPRUUHMJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102624
s1c2CCCCCc2cc1C(=O)OC(C(=O)c1c2c([nH]c1C)cccc2)C	PC-id_78474835	381.488	SQKYWBAMLFATJY-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-102625
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c2c([nH]c1)c(CC)ccc2	PC-id_7351999	381.488	RTQHYWATNICTRX-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-102626
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)c1c2c([nH]c1C)cccc2)C	PC-id_7352073	381.488	SQKYWBAMLFATJY-CQSZACIVSA-N	00000000100000100100000001100010000000000000000000000000	31-01-102627
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)c1c2c([nH]c1C)cccc2)C	PC-id_7352074	381.488	SQKYWBAMLFATJY-AWEZNQCLSA-N	00000000100000100100000001100010000000000000000000000000	31-01-102628
c1(NC(=O)CCC(=O)N(C)CCC(=O)OCC)sc2c(CCCCC2)n1	EMOLS-id_334739183,MCULE-2101570890	381.49	WXGPJNNIMDTKJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102629
O=C(C1CCCCC1)NC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C	EMOLS-id_323881463,PC-id_138391927	381.49	WYDHLLAGDZWPSJ-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-102630
O=C(c1noc2c1CCCCC2)N1CCC(CC1)S(=O)(=O)N1CCCC1	EMOLS-id_97817180	381.49	HLRLKNOLBIUPAA-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-102631
s1c2CCCCCc2cc1C(=O)NNC(=O)CCn1c2c(cc1)cccc2	PC-id_29911602	381.491	QMIRRZBBINPWSB-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-102652
O=C(CC(NC(=O)OC(C)(C)C)(C)C)NC1CCc2c(NC1=O)ccs2	SCHEMBL8621049,PC-id_54520934	381.49	YPTIUGSEVFUSEG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102632
s1c2CCCCCc2cc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	PC-id_9163657	381.49	JJOLUEIORLQCFK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102633
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC(=O)OC(C)(C)C)C	PC-id_55561479	381.49	RTUSSUJTZYODHG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102634
s1c2c(CCCCC2)c(c1NC(=O)CN(CC(=O)N(C)C)C)C(=O)OC	PC-id_8712195	381.49	YXDYKLAALJOISW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102635
c1(C(=O)C)c2ccccc2n(CCC(=O)Nc2sc3c(CCCCC3)n2)c1	EMOLS-id_323309685,MCULE-7495888153	381.491	CJXOATXZGCPLAF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102636
c1(NC(=O)CON=C(C)c2ccc(cc2)C)sc2c(CCCCC2)c1C#N	MCULE-2348710415,PC-id_3811171	381.491	UTXLSLFZEHJDDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102637
Cc1c(NC(=O)c2cc3c(s2)CCCCC3)c(=O)n(c2ccccc2)n1C	MCULE-2640007829,PC-id_2524689,EMOLS-id_43816292,CoCoCo_3231385,ZINC22_3405924	381.491	QCEUAEYRFOBNFI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102638
Cc1oc(c2ccccc2)nc1CC(=O)Nc1nc2c(s1)CCCCCC2	EMOLS-id_48221058,ZINC22_72021156,PC-id_56022229,MCULE-4660069464	381.491	JLTVWPWQTHEELC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102639
C/C(=NOCC(=O)Nc1sc2c(c1C#N)CCCCC2)/c1ccc(C)cc1	STOCK2S-48796,CoCoCo_5988700,ZINC22_4600439,TIMTEC487885,PC-id_9637138,EMOLS-id_26276444	381.491	UTXLSLFZEHJDDZ-BUVRLJJBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102640
CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	CoCoCo_4224950,PC-id_36014075,ZINC22_28853013	381.491	YIJILXZIIZSINT-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102641
CC(=O)c1cccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	ZINC22_28853012,PC-id_36014074,CoCoCo_4224949	381.491	YIJILXZIIZSINT-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102642
N#Cc1c(NC(=O)C(Nc2ccc3c(c2)COC3)C)sc2c1CCCCC2	EMOLS-id_98541423	381.491	KYHAWVVXZJQITR-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-102643
N#Cc1c(NC(=O)C(Nc2cccc(c2)C(=O)C)C)sc2c1CCCCC2	EMOLS-id_24044258,PC-id_45353017,MCULE-7892483273	381.491	YIJILXZIIZSINT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102644
N#Cc1c(NC(=O)CO/N=C(c2ccc(cc2)C)/C)sc2c1CCCCC2	PC-id_5929304,CoCoCo_5988701	381.491	UTXLSLFZEHJDDZ-IWIPYMOSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102645
NC(=O)C[C@@H]1N=C(Cc2ccccc2)c2c(C(=C1O)C(=N)C)sc(c2C)C	SCHEMBL16705445	381.491	DKFKGQDMDXSLEB-INIZCTEOSA-N	00000000100000110110000000000010000000000000000000000000	31-01-102646
NC(=O)C[C@@H]1N=C(Cc2ccccc2)c2c(/C(=C(/N)C)/C1=O)sc(c2C)C	PC-id_118066616	381.491	VONZRATWHLHIMM-QUYZQLMHSA-N	00000000100000110110000000000010000000000000000000000000	31-01-102647
O=C(N(Cc1ccco1)Cc1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_112825168	381.491	IUYCUKQXLOYJGL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102648
s1c2CCCCCc2cc1C(=O)Nc1ccc(OCc2n(ccn2)C)cc1	PC-id_55855003	381.491	YGDNICJCPNZIIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102649
s1c2CCCCCc2cc1C(=O)Nc1cc(OCCn2nccc2)ccc1	PC-id_55859345	381.491	DIDFAEDSEVSLBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102650
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1c2c([nH]c1)cccc2	PC-id_46657100	381.491	AIIFBHPPUDLRLU-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-102651
s1c2c(CCCCC2)c(c1NC(=O)CCc1c2c([nH]c1)cccc2)C(=O)N	PC-id_60387907	381.491	WQHVMZBMDQRJRE-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-102653
s1c2CCCCCc2nc1NC(=O)CCc1oc(c2ccc(cc2)C)cn1	PC-id_24611853	381.491	UIMOSUWNNBTGCF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102654
s1c2CCCCCc2nc1NC(=O)CCCc1oc(cn1)c1ccccc1	PC-id_38938340	381.491	UYZKFJXYCOOSAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102655
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1c2c([nH]c1)cccc2	PC-id_25443791	381.491	GEKGSYUFMYGMKP-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-102656
s1c2CCCCCCc2nc1NC(=O)CCc1oc(c2ccccc2)cn1	PC-id_56021978	381.491	BVJAKGKICFNZEO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102657
c12CN(CCCn1nc(CNC(=O)[C@H](CCSC)NC(=O)C)c2)C(=O)C	EMOLS-id_44432753,PC-id_70731012,ZINC22_82107065,MCULE-7239027173	381.493	VHLGTZYXHLIJMC-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102658
CCc1ccc(CN2CCc3nnc(CNS(=O)(=O)C(C)C)n3CC2)o1	ZINC22_23130719,PC-id_30854477,MCULE-6248540384,EMOLS-id_24851609,CoCoCo_1140163,CoCoCo_1140162	381.493	CIPDJIBNUFHTQL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-102659
CC(C(c1nnc2n1CCN(CC2)Cc1ccc(o1)C)NS(=O)(=O)C)C	PC-id_45167481,ChEMBL-DNDi_CHEMBL93589897	381.493	QTUXBIOIQQZFJW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-102660
COCn1nc(C)c(S(=O)(=O)N2Cc3cnn(C)c3CC(C)(C)C2)c1C	ZINC22_663176440	381.493	ICMFUGZPFUTXPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102661
CS(=O)(=O)N1CCCn2nc(CNC(=O)CN3C[C@@H]4CC[C@H]3C4)cc2C1	EMOLS-id_46050747,PC-id_72873273,MCULE-8687101908,ZINC22_91574264	381.493	QVDUXPLXPYHFGH-HIFRSBDPSA-N	00000010100000000101000000000110000000000000000000000000	31-01-102662
O=C(N1CC(C1)S(=O)(=O)NCc1nnc2n1CCCCC2)C1CCCC1	EMOLS-id_99220516	381.493	AZOAZTRUFVTGEP-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-102663
S(CCC(NC(=O)C)C(=O)NCc1nn2CCCN(Cc2c1)C(=O)C)C	PC-id_77848167	381.493	VHLGTZYXHLIJMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102664
c12CN(CCCn1nc(CO)c2)Cc1cnc(nc1)SCc1ccccc1	ZINC22_221252076,EMOLS-id_50542687,MCULE-8945993598,PC-id_90651913	381.495	XYUHOUFNXFBFJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102665
c1(C(=O)N(Cc2ccccc2)Cc2scnc2C)nnc2CCCCCn12	MCULE-5225630359,EMOLS-id_316208577,ZINC22_1506398635	381.495	VHBBONOCZDSVIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102666
c1(sc(nc1CC)C)C(=O)N1CCn2c(CC1)nnc2Cc1ccccc1	MCULE-8294523276,ZINC22_216266900,PC-id_77094949,EMOLS-id_49894903	381.495	DMFYRDWKUJFTLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102667
c1(sc(nc1C)C)C(=O)N1CCn2c(CC1)nc(CCc1ccccc1)n2	MCULE-5855027595,ZINC22_2100483571,EMOLS-id_337647303	381.495	FNZMXNUGHXOBDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102668
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1c1ccccn1	ZINC22_9945489,CoCoCo_4311446,EMOLS-id_3707964,PC-id_16357164,MCULE-9987689305	381.495	UMGTUUMEMPULSB-UHFFFAOYSA-N	00000000110000101101100000000010000000000000000000000000	31-01-102669
Cc1ccsc1CN1CCc2nnc(CNC(=O)c3ccccc3)n2CC1	MCULE-8167411529,PC-id_28309168,CoCoCo_1142165,EMOLS-id_20407858,ZINC22_19739607,CoCoCo_1142166	381.495	YGCKQLIPFFQSOU-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-102670
Cc1nc(c2ccccc2)sc1C(=O)N(C)Cc1nnc2n1CCCCC2	EMOLS-id_24062848,PC-id_40139651,ZINC22_32903343,MCULE-8107371798,CoCoCo_4631859	381.495	ZNIGQFICTYPCAE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102671
Cc1nc(CCC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)cs1	MCULE-6619658506,EMOLS-id_337810569,ZINC22_2356168424	381.495	CVLYLOPWQYXUHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102672
Cc1nn(c2ccccc2)nc1[C@@H](C)NC(=O)c1cc2c(s1)CCCNC2	ZINC22_2325857752	381.495	NVCKKZZMARPNGQ-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102673
Cc1nn(c2ccccc2)nc1[C@H](C)NC(=O)c1cc2c(s1)CCCNC2	ZINC22_2325857753	381.495	NVCKKZZMARPNGQ-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102674
Cc1nn(c(C)c1CC(=O)Nc1nc2CCCCCc2s1)c1ccccn1	EMOLS-id_323389643,MCULE-3783632011	381.495	FAHAPXSQQPMMCY-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102675
n12CCN(CCc1nnc2CNC(=O)Cc1ccccc1)Cc1ccsc1	ZINC22_14991986,EMOLS-id_232781898,PC-id_26346998,MCULE-8396809653	381.495	MTAAKDKKKAMLRO-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-102676
N#Cc1ccc(N2CCC(C(=O)Nc3nc4c(s3)CCCCC4)CC2)nc1	CoCoCo_4546270,EMOLS-id_16712429,PC-id_25541791,ZINC22_12830085,CoCoCo_4546269,MCULE-2910095526	381.495	LQOCNCQFGGHPBS-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-102677
N#Cc1c(NC(=O)C2CCCN(C2)c2ncccn2)sc2c1CCCCC2	EMOLS-id_44525602,MCULE-4199104915,PC-id_71898065	381.495	RSLIZNWGMUYKBA-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-102678
N#Cc1c(NC(=O)[C@H]2CCCN(c3ncccn3)C2)sc2c1CCCCC2	PC-id_97018315,ZINC22_84613411	381.495	RSLIZNWGMUYKBA-AWEZNQCLSA-N	00000000100010100101100000000010000000000000000000000000	31-01-102679
N#Cc1c(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)sc2c1CCCCC2	PC-id_97018316,ZINC22_84613412	381.495	RSLIZNWGMUYKBA-CQSZACIVSA-N	00000000100010100101100000000010000000000000000000000000	31-01-102680
N#Cc1nccnc1N1CCN(C(C1)C)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_111227873	381.495	BBRAOIHTEOPKDZ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-102681
NCc1[nH]nc(n1)c1ccc(cc1)NC(=O)c1sc2c(c1)CCCCCC2	PC-id_120566201,EMOLS-id_302341232,MCULE-6403743574	381.495	NTFQQNHRWDCBEO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102682
O=C(c1ccc(cc1)NCc1ccsc1)NCc1nnc2n1CCCCC2	EMOLS-id_278505982	381.495	LBNGJXGJLLOUGR-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-102683
O=C(C1CCn2c(CC1)nnc2)NC(c1sc(nc1C)c1ccccc1)C	EMOLS-id_319375417	381.495	VYLXQHARVFYYIS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102684
O=C(Cc1nnc(n1C)c1ccccc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98240620	381.495	JXWGZRZCKUILQY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102685
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)c1ccccn1)C	CoCoCo_4311447,CoCoCo_4311450	381.495	JEOMBJJGIIOXID-LGMDPLHJSA-N	00000000110000101101100000000010000000000000000000000000	31-01-102686
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)c1ccccn1)C	CoCoCo_4311449,CoCoCo_4311448	381.495	JEOMBJJGIIOXID-GHRIWEEISA-N	00000000110000101101100000000010000000000000000000000000	31-01-102687
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccc(cc1)Cn1cccn1	PC-id_112825072	381.495	DOGYGAABBBZAOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102688
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccccc1Cn1cccn1	PC-id_112825131	381.495	WTRJADDOGUISCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102689
O=C(Nc1nc2c(s1)CCCCC2)NCCc1cnn(c1)c1ccccc1	PC-id_112825124	381.495	VZERIUVBXJEZAD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102690
s1c2CCCCCc2nc1NC(=O)c1c(n(nc1)c1ncccc1)C(C)C	PC-id_46427351	381.495	DATTYUCHFVZJCC-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102691
s1c2CCCCCCc2nc1NC(=O)c1ccc(n2nc(cc2C)C)nc1	PC-id_56021855	381.495	JOHRQQISMFQYLM-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102692
s1c(CN2CCn3c(nnc3CNC(=O)c3ccccc3)CC2)ccc1C	PC-id_29181570	381.495	CAMPDRBDFRHHCV-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-102693
s1c(C(=O)NCCc2n3CCCCCc3nn2)c(nc1c1ccccc1)C	PC-id_51304513	381.495	KUGHOUCNHDJSAI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102694
CCCc1ccccc1C(=O)c1c(C)cc2n1CCCCC2C(=O)OC(C)C	SCHEMBL11198427,PC-id_20484007	381.508	HPFJDPODDDKTNX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102695
CCCCc1cccc(c1)C(=O)c1ccc2n1CCCCC2C(=O)OC(C)C	PC-id_20484019,SCHEMBL11195665	381.508	IAVVTSRNZABXCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102696
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1C[C@@H](O[C@@H](C1)C)C)C(=O)OC	PC-id_8900264	381.51	RJPLDCNMWXUTDG-BETUJISGSA-O	00000000100010000101000000000010000000000000000000000000	31-01-102697
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1C[C@@H](O[C@H](C1)C)C)C(=O)OC	PC-id_8900267	381.51	RJPLDCNMWXUTDG-STQMWFEESA-O	00000000100010000101000000000010000000000000000000000000	31-01-102698
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1C[C@H](O[C@@H](C1)C)C)C(=O)OC	PC-id_8900271	381.51	RJPLDCNMWXUTDG-CHWSQXEVSA-O	00000000100010000101000000000010000000000000000000000000	31-01-102699
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CC(OC(C1)C)C)C(=O)OC	PC-id_84867775	381.51	RJPLDCNMWXUTDG-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-102700
c1(C(O)C2CC2)cc2n(CCCN(Cc3ccccc3OC3CCCC3)C2)n1	EMOLS-id_50548959,MCULE-5433680887,PC-id_90653624	381.511	KMALPPBDKSHDPH-UHFFFAOYSA-N	00100010100000110101000000000010000000000000000000000000	31-01-102701
o1nc(c2CCCCCc12)C(=O)N1CCCN(CC1)c1ccc(cc1)CCC	PC-id_71460543	381.511	IWHDOCJAKQSFGK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102702
OC1CCN(CCCN2CCC(CC2)c2ccccc2)C(=O)c2c1n(cc2)C	SCHEMBL6774695,PC-id_10596021	381.511	FCJZSXSCYIPORV-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-102703
O[C@H](c1cc2n(n1)CCCN(Cc1ccccc1OC1CCCC1)C2)C1CC1	PC-id_100067834,ZINC22_221414580	381.511	KMALPPBDKSHDPH-QHCPKHFHSA-N	00100010100000110101000000000010000000000000000000000000	31-01-102704
O[C@@H](c1cc2n(n1)CCCN(Cc1ccccc1OC1CCCC1)C2)C1CC1	ZINC22_221414525,PC-id_100067833	381.511	KMALPPBDKSHDPH-HSZRJFAPSA-N	00100010100000110101000000000010000000000000000000000000	31-01-102705
Cc1ccc(s1)S(=O)(=O)N1CCCn2nc(cc2C1)C(O)C1CCC1	PC-id_91771848,EMOLS-id_55636302,MCULE-3430416806	381.513	XPEDFJBULUFPGE-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-102706
Cc1ccc(S(=O)(=O)N2CCCn3nc([C@@H](O)C4CCC4)cc3C2)s1	ZINC22_219579196,PC-id_100043841	381.513	XPEDFJBULUFPGE-KRWDZBQOSA-N	00001000100100000101000000000010000000000000000000000000	31-01-102707
Cc1ccc(S(=O)(=O)N2CCCn3nc([C@H](O)C4CCC4)cc3C2)s1	ZINC22_219579259,PC-id_100043843	381.513	XPEDFJBULUFPGE-QGZVFWFLSA-N	00001000100100000101000000000010000000000000000000000000	31-01-102708
CC1(COCc2nnn(c2)CCC[N+](C)(C)C)COc2c(OC1)csc2	PC-id_102481110	381.513	WYEGOTHSNLVVIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102709
CCCN(C[C@H]1OCc2cnnn2CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C	CHEBI:113416,PC-id_44497717	381.513	DWRDFVJCWRIGSC-XYJFISCASA-N	00000000100000000101000000000010000000000000000000000000	31-01-102710
CCCN(C[C@@H]1OCc2cnnn2CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C	CHEBI:96034,PC-id_44505649	381.513	DWRDFVJCWRIGSC-RYRKJORJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102711
CCCN(C[C@H]1OCc2cnnn2CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C	PC-id_44505240,CHEBI:113368	381.513	DWRDFVJCWRIGSC-JFIYKMOQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102712
CCCN(C[C@H]1OCc2cnnn2CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C	PC-id_44506074,CHEBI:96695	381.513	DWRDFVJCWRIGSC-LZLYRXPVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102713
CCCN(C[C@H]1OCc2nnn(c2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C	CHEBI:112562,PC-id_54631268	381.513	UYQIVECMKYOLNY-JFIYKMOQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102714
CCCN(C[C@@H]1OCc2nnn(c2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C	PC-id_44505236,CHEBI:113343	381.513	UYQIVECMKYOLNY-BQFCYCMXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102715
CCCN(C[C@H]1OCc2nnn(c2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C	PC-id_44618360,CHEBI:112608	381.513	UYQIVECMKYOLNY-SOLBZPMBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102716
CCCN(C[C@@H]1OCc2nnn(c2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C	PC-id_44620121,CHEBI:112641	381.513	UYQIVECMKYOLNY-JZXOWHBKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102717
N#Cc1c(NC(=O)C(N2CCS(=O)(=O)CC2)C)sc2c1CCCCC2	PC-id_56521108,EMOLS-id_98514576	381.513	OWBQIAQMDROXHD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102718
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(CCC)C	PC-id_75036265	381.513	UYQIVECMKYOLNY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102719
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(CCC)C	PC-id_75036266	381.513	DWRDFVJCWRIGSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102720
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(CCC)C	PC-id_44505647	381.513	DWRDFVJCWRIGSC-NUJGCVRESA-N	00000000100000000101000000000010000000000000000000000000	31-01-102721
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(CCC)C	PC-id_44505650	381.513	DWRDFVJCWRIGSC-SOLBZPMBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102722
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(CCC)C	PC-id_44506077	381.513	DWRDFVJCWRIGSC-BQFCYCMXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102723
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(CCC)C	PC-id_54631269	381.513	DWRDFVJCWRIGSC-JZXOWHBKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102724
O=C(C1CSCN1C(=O)c1noc2c1CCCCC2)N1CCSCC1	EMOLS-id_111828473	381.513	ZSCFFBKBUIVJGB-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-102725
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)C	PC-id_44086239	381.513	SZAAQUIJNRDDRZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102726
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)C	PC-id_44086838	381.513	QKAZSMFYECHPEG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102727
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)C	PC-id_49697946	381.513	SCFBXVLMJBWHGB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102728
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cccc(CCN)c1	MCULE-4084913976,EMOLS-id_44442869,ZINC22_82133762,PC-id_70760035	381.514	UDEGVFWRJXPSQK-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-102729
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3ccc(cc3)C(C)C)CCn12	ChEMBL-DNDi_CHEMBL14458834,MCULE-1697271078,EMOLS-id_20420359,PC-id_45175136	381.514	FWWWJNHJLAASTK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-102730
c1(C(O)C2CC2)cc2n(CCCN(Cc3cnc(nc3)C3CCCCC3)C2)n1	MCULE-5547928866,PC-id_91781741,EMOLS-id_55664871	381.514	GTLJDOCPMJLCGN-UHFFFAOYSA-N	00100000100010100101100000000010000000000000000000000000	31-01-102731
c1(C(=O)NC2CCCN(CCCc3ccccc3)C2)nnc2CCCCCn12	PC-id_56895977,MCULE-9601180008,EMOLS-id_43114223	381.514	ZCOFYWNILHTXAN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102732
Cc1ccc(cc1)N1CCC(CNC(=O)CCc2cc3CNCCCn3n2)C1	MCULE-9321283464,PC-id_70765549,EMOLS-id_43153995	381.514	ZVUNNTYBWRMXER-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102733
Cc1cccc(c1)N1CCN(CC(=O)NCc2n[nH]c3CCCCCc23)CC1	MCULE-9114025974,ZINC22_670457456,EMOLS-id_222776776	381.514	UXKLVZUCJFTENR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102734
CC1CC(CCN1Cc1ccccc1)N(C(=O)C1CCn2c(CC1)nnc2)C	MCULE-1110965155,EMOLS-id_320079158	381.514	QBMQVOZNSSBMBI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102735
CC1CC(CCN1Cc1ccccc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101724483	381.514	NFDZUKQXNYNMQR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102736
CC1CCCCN1C(=O)c1ccc(c(c1)C)NCc1nnc2n1CCCCC2	EMOLS-id_100820414	381.514	URVUALNMNAINGX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102737
Cc1ccc(N2CC[C@H](CNC(=O)CCc3cc4n(n3)CCCNC4)C2)cc1	ZINC22_72467970,PC-id_95891513	381.514	ZVUNNTYBWRMXER-GOSISDBHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102738
Cc1ccc(N2CC[C@@H](CNC(=O)CCc3cc4n(n3)CCCNC4)C2)cc1	ZINC22_72467973,PC-id_95891514	381.514	ZVUNNTYBWRMXER-SFHVURJKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102739
CC1CCN(CC1)CC(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_99928387	381.514	WYXLJDSXCKEXGF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102740
CC1CN(Cc2ccccc2)CC(C1NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_278162587	381.514	GFIXKZANECKWJS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102741
CC1CN(CCC1NC(=O)N1CCCc2c(C1)cnn2C)Cc1ccccc1	EMOLS-id_101721483	381.514	PBUQGVMRRDNJSW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102742
CCc1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1	PC-id_28309196,ChEMBL-DNDi_CHEMBL12711713,ZINC22_19739646,MCULE-8573096844,CoCoCo_1142334,CoCoCo_1142333,EMOLS-id_20407970	381.514	HGNGYEUJQWXIHB-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-102743
CCCc1ccc(cc1)C(=O)N1CCCn2c(CN3CCCCC3)nnc2C1	ZINC22_96259685,PC-id_97519767,EMOLS-id_44370914	381.514	ODWRVLAQEJRXSA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102744
CCCc1ccc(cc1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_44370726,PC-id_97519671,ZINC22_96259589	381.514	QZKODGWBCIHVJV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102745
CC(C)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)cc1	CoCoCo_1159326,CoCoCo_1159325,ZINC22_12165603,PC-id_28312055	381.514	FWWWJNHJLAASTK-MRXNPFEDSA-N	00100000100000110101000000000010000000000000000000000000	31-01-102746
CC(C)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)cc1	CoCoCo_1159327,PC-id_28312056,CoCoCo_1159328,ZINC22_12165606	381.514	FWWWJNHJLAASTK-INIZCTEOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-102747
CC(CC(c1nnc2n1CCN(CC2)C/C=C/c1ccccc1)NC(=O)C)C	PC-id_45194969,ChEMBL-DNDi_CHEMBL29090592	381.514	SWSKRLZTLAIRJM-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102748
C/C=C(C)/CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3C)n2CC1	PC-id_42329674,EMOLS-id_232711547,ZINC22_11979299	381.514	ALYLBWFGIKSBRA-FZSIALSZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102749
CC(C[C@H](c1nnc2n1CCN(CC2)C/C=Cc1ccccc1)NC(=O)C)C	CoCoCo_1280491,CoCoCo_1280489	381.514	SWSKRLZTLAIRJM-ROFLEHJCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102750
CC(C[C@H](c1nnc2n1CCN(CC2)C/C=C/c1ccccc1)NC(=O)C)C	CoCoCo_1280492,CoCoCo_1280490	381.514	SWSKRLZTLAIRJM-JRMCHAMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102751
CC(C[C@@H](c1nnc2n1CCN(CC2)C/C=C/c1ccccc1)NC(=O)C)C	CoCoCo_1280494,CoCoCo_1280496	381.514	SWSKRLZTLAIRJM-OSICKASQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102752
CC(C[C@@H](c1nnc2n1CCN(CC2)C/C=Cc1ccccc1)NC(=O)C)C	CoCoCo_1280495,CoCoCo_1280493	381.514	SWSKRLZTLAIRJM-SONCPKABSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102753
CC(=CCN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1)C	ZINC22_11841807,CoCoCo_1121058,CoCoCo_1121059	381.514	ONGXFJFAEBXGSY-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102754
CC(=CCN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1)C	ZINC22_11841810,CoCoCo_1121061,CoCoCo_1121060	381.514	ONGXFJFAEBXGSY-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102755
CCN(C(=O)C1CCn2c(CC1)nnc2)CC1CCN(C1)Cc1ccccc1	MCULE-2447949391,EMOLS-id_320309505	381.514	VQXVLZRQWJGEJV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102756
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(CC=C(C)C)CCn12	ChEMBL-DNDi_CHEMBL10549090,MCULE-8478909361,PC-id_45168539,EMOLS-id_20391936	381.514	ONGXFJFAEBXGSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102757
CN(C1CCCCC1)Cc1ccccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316691626	381.514	RSJJZIVMIJHTIE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102758
CN(Cc1ccccc1)CC1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319160706	381.514	MUJKNROYAIBNCS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102759
n12CCCNCc1cc(CCC(=O)N[C@H]1CCCN(Cc3ccccc3)C1)n2	EMOLS-id_43128841,ZINC22_72431733,MCULE-3810123756,PC-id_70746034	381.514	PUDOYFUKTVHPNG-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102760
n12CCN(CCc1nnc2CCNC(=O)C1CCC1)CCCc1ccccc1	EMOLS-id_20562659,PC-id_42501269,ChEMBL-DNDi_CHEMBL41303491,ZINC22_12282134,MCULE-3355472480,CoCoCo_1362329,CoCoCo_1362330	381.514	OLVGWJHQUDXENG-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-102761
n12CCN(CCc1nnc2CCNC(=O)c1ccc(cc1C)C)CC(=CC)C	MCULE-1855551766,PC-id_74843709	381.514	ALYLBWFGIKSBRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102762
O=C1NCCN(Cc2nn3c(CN(CCC3)CCCc3ccccc3)c2)CC1	PC-id_56882706	381.514	SPDCAYZYOODSMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102763
O=C1NC(NC(C1)C)c1ccc(CN(Cc2n[nH]c3c2CCCCC3)C)cc1	PC-id_85480552	381.514	HRTSZERAOFWEBD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102764
O=C(C1CCn2c(CC1)nnc2)NCC1CCCCN(C1)Cc1ccccc1	EMOLS-id_316685053	381.514	GPATZHGXLFZNRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102765
O=C(CN1C(C)CCC1C)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_99880808	381.514	QRBCVBUGQKYDBQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102766
O[C@@H](c1cc2n(n1)CCCN(Cc1cnc(C3CCCCC3)nc1)C2)C1CC1	PC-id_100088367,ZINC22_222274472	381.514	GTLJDOCPMJLCGN-OAQYLSRUSA-N	00100000100010100101100000000010000000000000000000000000	31-01-102767
O[C@H](c1cc2n(n1)CCCN(Cc1cnc(C3CCCCC3)nc1)C2)C1CC1	PC-id_100088369,ZINC22_222274533	381.514	GTLJDOCPMJLCGN-NRFANRHFSA-N	00100000100010100101100000000010000000000000000000000000	31-01-102768
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(cc1C)N1CCCCC1C	EMOLS-id_101957189	381.514	OIZZHWLWRRHULM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102769
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(cc1C)N1CCCCCC1	EMOLS-id_101858479	381.514	KLABYLAIAVPHON-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102770
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(CC1)Cc1ccccc1C	EMOLS-id_101723049	381.514	IAUBGLDHCNXFLK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102771
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(CC1)CCc1ccccc1	EMOLS-id_318358346	381.514	OULKXORVLJYJJN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102772
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(C(C)C)cc1	PC-id_51308066	381.514	QXLWGCXSBLOUCV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102773
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CC(c1ccccc1)C	PC-id_46449500	381.514	XILDOTQUJAOMLF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102774
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CCc1cc(ccc1)C	PC-id_51317250	381.514	OTMLPIAAEDHFQP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102775
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)C(CC)c1ccccc1	PC-id_46534021	381.514	HVGWMHZSHYHHJM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102776
O=C(Nc1cc(CN2CCCCC2)ccc1)CCc1nn2CCCNCc2c1	PC-id_70728779	381.514	LDTUTWFWUKRRAL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102777
O=C(NC1CCCN(C1)Cc1ccccc1)CCc1nn2c(CNCCC2)c1	PC-id_77852611	381.514	PUDOYFUKTVHPNG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102778
O=C(NC(c1n2CCN(CCc2nn1)CC=Cc1ccccc1)CC(C)C)C	PC-id_75099815	381.514	SWSKRLZTLAIRJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102779
O=C(N[C@H]1CCCN(CCCc2ccccc2)C1)c1nnc2n1CCCCC2	ZINC22_72154529,PC-id_95720771	381.514	ZCOFYWNILHTXAN-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-102780
O=C(N[C@@H]1CCCN(CCCc2ccccc2)C1)c1nnc2n1CCCCC2	ZINC22_72154530,PC-id_95720772	381.514	ZCOFYWNILHTXAN-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102781
Cc1ccsc1S(=O)(=O)N1CCc2nnc(CN3CCCC3)n2CC1	EMOLS-id_313727963,ZINC22_2055713763	381.516	IPPXRRBUMXBIOV-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-102782
O=S(=O)(c1cccs1)N1CCCn2c(C1)c(nn2)CN1CCCCC1	CHEMBL3552046,PC-id_97519680	381.516	PCRPLSLHLLVMQU-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-102783
S(CC(=O)N1CC[NH+](CC1)CC(=O)N(C)C)c1n2CCCCCc2nn1	PC-id_40763209	381.516	NOVQOSGDWYXJHE-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-102784
S(=O)(=O)(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1sccc1	PC-id_51307417	381.516	RAOBMVAOEMNEDQ-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-102785
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccccc1	PC-id_110961779	381.518	VNPMQTUBBVTNMQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102786
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)c1ccccc1	PC-id_111909493	381.518	ZGCMLCNPKFPTMR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102787
CN=C(N1CCN(CC1)Cc1ccccc1)NCc1nnc2n1CCCCC2	PC-id_110960287	381.518	ZBDWLFAQJWBAII-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102788
CN=C(NC1CCN(C1)c1ccc(cc1)C)NCc1nnc2n1CCCCC2	PC-id_111923659	381.518	LZYPCRMIBQHHMY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102789
CN=C(NC1CCN(C1)c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111910045	381.518	KZGZFXZDCGUAIQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102790
NC(=NCc1nnc2n1CCCCC2)NC1CCN(CC1)Cc1ccccc1	PC-id_119117491	381.518	CHDAFZWKJKVKOQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102791
S1/C(=C(c2n3CCCCCc3nn2)/C#N)/N(C(=C1)c1sccc1)CC=C	PC-id_2317359	381.518	TWJYSRDEWKFXGT-RGEXLXHISA-N	00000011100100000101100000000010000000000000000000000000	31-01-102792
S1/C(=C(/c2n3CCCCCc3nn2)C#N)/N(C(=C1)c1sccc1)CC=C	PC-id_2317360	381.518	TWJYSRDEWKFXGT-XMHGGMMESA-N	00000011100100000101100000000010000000000000000000000000	31-01-102793
S1C(=C(c2n3CCCCCc3nn2)C#N)N(C(=C1)c1sccc1)CC=C	PC-id_5102942	381.518	TWJYSRDEWKFXGT-UHFFFAOYSA-N	00000011100100000101100000000010000000000000000000000000	31-01-102794
CC(c1ccc2-c(cc1)ccc2CCCCNS(=O)(=O)c1ccccc1)C	PC-id_10091253,SCHEMBL9627065	381.531	DWYXYVMSGVHKNQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-102795
CCC(=CC)CN=C=C(C)Cc1c(sc2=CC=CC=CC=c12)C(=O)OCC	PC-id_90891954	381.531	ZBOOVMXHPRKNJV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-102796
s1c2c(CCCCCC2)cc1C(=O)N1CCC(CC1)C(=O)c1ccccc1	PC-id_41679974	381.531	SLQUBJRRQIJRLR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-102797
S(=O)(=O)(Nc1ccccc1)CCCCc1c2-c(cc1)ccc(C(C)C)cc2	PC-id_86168105	381.531	DXJZTEXMODCXQR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-102798
c1(NC(=O)CCC(=O)NCCCOCCCC)sc2c(CCCCC2)n1	EMOLS-id_335007335,MCULE-1451303863	381.533	UWPBXLRECXJBBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102799
O=C(Nc1sc2c(n1)CCCCCC2)NCC(C1(O)CCOCC1)(C)C	EMOLS-id_101851243	381.533	AGIAMCJWWNOIOU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102800
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)CC)C(=O)OC	PC-id_8062014	381.533	FEQSMJPRVSZMQW-UHFFFAOYSA-P	00000000100010000101000000000010000000000000000000000000	31-01-102801
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)C)C(=O)OCC	PC-id_8066703	381.533	YJJOEYXVKFWLAF-UHFFFAOYSA-P	00000000100010000101000000000010000000000000000000000000	31-01-102802
CC(C)n1cc(CCC(=O)Nc2nc3CCCCCc3s2)c2ccccc12	EMOLS-id_323365215,MCULE-8495233013	381.534	NROXDSHQXSFLPH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-102803
CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc2c(s1)CCCCCC2	MCULE-6989108659,EMOLS-id_44552088,PC-id_71885182,ZINC22_64444996	381.534	KQESUKAKOQCHIE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102804
Cc1nc(NC(=O)c2cc3c(s2)CCCCC3)sc1SCC(=O)N	ZINC22_31798606,EMOLS-id_35700088,PC-id_39024524,MCULE-9792317970	381.536	JDJADCHEFMTUJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102805
CN1CCN(CC1)CC(CN(C(=O)Nc1nc2c(s1)CCCCC2)C)O	PC-id_102554511	381.536	MNIYQCRWEOKNDQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102806
O=S(=O)(C1CCCN(C1)Cc1nnc2n1CCCCC2)NC1CCCC1	EMOLS-id_99264286	381.536	RRGVKCKIUAVQQR-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-102807
CCCC1C=CC=c2c(=C1)ccn2Cc1scc(n1)C(=N)N1CCNCC1	SCHEMBL18977453	381.538	SOGFIVOTMGBTKU-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-102808
CC(C)Cc1ccc(CN2CCc3nnc(Cc4cccnc4)n3CC2)s1	MCULE-9424314106,ZINC22_821460022,EMOLS-id_232862329	381.538	YLNLYMLFPAXIRB-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-102809
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](CCC)CCC)C(=O)OCC	PC-id_4559478	381.553	KFTGZRVNIVFWFS-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-102810
O=C(Nc1sc2c(n1)CCCCCC2)CSCC(=O)N1CCCCC1	EMOLS-id_98560714	381.556	UYBCJQGNMMEMDL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102811
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)CC)C(=O)OC	PC-id_19654870	381.556	LIYUGGFSSJFXGZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102812
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)C)C(=O)OCC	PC-id_19653819	381.556	WFKIYBAFHCODKW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102813
s1c2c(CCCCC2)c(c1NC(=S)NC1CCN(CC1)C)C(=O)OC	PC-id_20180099	381.556	WXYASQXSFVCJPF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-102814
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)C)C(=O)OC	PC-id_19653815	381.556	GMDWPNMMENUDIY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102815
CC(C)(C)c1ccc(CN2CCN(Cc3cc4CNCCCn4n3)CC2)cc1	ZINC22_72153072,PC-id_56906009,EMOLS-id_43147698,MCULE-7796861069	381.557	GXKQKAKCDZZVQF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102816
CC(CC1NC(=O)C(C)CCC[C@](CCCN(c2nc1cs2)C)(C)O)C	SCHEMBL19606931	381.576	JRBBMSFJAFDQRP-PMTKGXAQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102817
c1(NC(=O)CSC(=S)N(CC)CC)sc2c(CCCCC2)c1C#N	MCULE-3394841914,PC-id_3433374,EMOLS-id_5484329,CoCoCo_5026889,ZINC22_4284157	381.579	NTCKLMWQSHUGNY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102818
C1CN(Cc2c(C1Oc1c(c(ccc1)Br)Cl)cco2)CC#N	PC-id_86639232	381.652	NXXMVOOVKKFLRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102819
COCCNC(=O)c1nc2c(o1)CCN(CC2)Cc1cc(c(cc1)F)Cl	PC-id_134806207	381.829	YJNICDIMCMDFQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102820
Clc1cc(C(=O)N2CCCc3sc(OC(=O)O)cc3C2)c(OC)cc1	PC-id_70557506,SCHEMBL11297499	381.831	GVIQZQLMELXYNN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102821
Clc1cc(NC(=O)CSc2n3CCCCCc3nn2)c([N+](=O)[O-])cc1	PC-id_7876689	381.837	KBUIQPMNFJBMKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102822
Clc1cc([N+](=O)[O-])c(NC(=O)CSc2n3CCCCCc3nn2)cc1	PC-id_7877582	381.837	IXJGZZWSNFHVCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102823
Clc1c(NC(=O)CSc2n3CCCCCc3nn2)ccc([N+](=O)[O-])c1	PC-id_7876631	381.837	QUVVYQHIZWKZDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102824
Clc1c([N+](=O)[O-])cc(NC(=O)CSc2n3CCCCCc3nn2)cc1	PC-id_7877606	381.837	GSZVZMFBUZEKER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102825
Brc1c2-c(nc(n2)N)c(Br)cc(Br)c1	PC-id_85577823	381.849	SGMVHMWOFFMWGK-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-102826
Clc1cc(F)c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_16509487	381.849	ZYOPNJNQIKAJMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102827
Clc1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc1F	PC-id_7352083	381.849	JVNFRVAAPQJOMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102828
Clc1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)c(F)cc1	PC-id_7351927	381.849	PMPJJWOSLVQKNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102829
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc(F)c1	PC-id_7650039	381.849	ZEJNMEQUAQRFSD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102830
C1CN(CCc2c1nc(o2)C(=O)Nc1ccccc1)Cc1cc(ccc1)Cl	PC-id_134809270	381.855	KAFBSAAEFIPUDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102831
C1CN(CCc2c1nc(o2)C(=O)Nc1ccc(cc1)Cl)Cc1ccccc1	PC-id_134809554	381.855	HZJNKJRIUHLPPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102832
Clc1ccc(c(c1)Nc1ccccc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319387479	381.859	LEMVCCLAYJNGGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102833
Clc1cnccc1C(=O)N1CCc2nc(CCc3ccccc3)nn2CC1	ZINC22_2100483244,MCULE-3858263698,EMOLS-id_337698229	381.859	FCBOERYLQRPQPQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-102834
c1(cn2c(C(=O)N(CCC2)C)c1)S(=O)(=O)NCCc1ccc(cc1)Cl	PC-id_53182864,EMOLS-id_48455497,MCULE-7018292497	381.877	JHLQUUORJOQJRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102835
c1(cn2c(C(=O)N(CCC2)CC)c1)S(=O)(=O)NCc1ccccc1Cl	EMOLS-id_33087348,PC-id_53182941,MCULE-9701960081	381.877	DVIHRDHDVFYWND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102836
c1(cn2c(C(=O)N(CCC2)CC)c1)S(=O)(=O)NCc1ccc(cc1)Cl	EMOLS-id_33087350,PC-id_53182942,MCULE-2725826216	381.877	ZICDXCRKAQSHCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102837
CC1Cc2c(O1)c(Cl)cc(c2)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948571	381.877	DCZWCMLBRULBTK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102838
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(C)cc1Cl	EMOLS-id_33087162,MCULE-5670013477,PC-id_53182901	381.877	YLWFJFTVTOVPPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102839
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(Cl)cc1C	EMOLS-id_33087228,MCULE-7351561643,PC-id_53182913	381.877	APBSUMVFDQOEFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102840
CN(c1cc(Cl)ccc1C)S(=O)(=O)c1cc2C(=O)N(C)CCCn2c1	MCULE-3352207983,PC-id_53182895,EMOLS-id_33087082	381.877	QFVIZKWLBCYNJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102841
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)NCc1ccccc1Cl	MCULE-3807496646,EMOLS-id_317415772	381.877	VDSJWKBZGUQZNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102842
c12CN(CCCn1nc(CNC(=O)c1ccc(Cl)s1)c2)C(=O)N(C)C	MCULE-2115138972,PC-id_70774260,ZINC22_82146662,EMOLS-id_44447713	381.88	AKFDNJBEKGEFGH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-102843
Clc1cc2N(CCc2cc1S(=O)(=O)N)Cc1nnc2n1CCCCC2	MCULE-6251424695,EMOLS-id_257941298	381.88	QBNGIOCIJDJGQM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102844
Clc1ccc(c2scc(n2)C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_78650378	381.882	NLDRPVFIWWPRBR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102845
Clc1ccc(c2scc(n2)/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_8275470	381.882	NLDRPVFIWWPRBR-GXDHUFHOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102846
Clc1ccc2c(c1)cc(s2)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948619	381.9	GKQQMXNSLKAWME-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102847
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1sc2c(c1Cl)cccc2	EMOLS-id_101951001	381.9	VRSRQDLUEFSCQB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102848
CN1CC=CC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_153249002	382.091	WSYCVFHKCMSKNW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-102849
CN1C(=O)C(CSC2=CC=CN21)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4	PC-id_155069312	382.121	XTYXMEHDNNYBNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102850
CN1C2=CC=NN2CC[C@@H](C1=O)CC(=O)C3=NN(C=N3)CC4=CC=C(C=C4)F	PC-id_160105231	382.155	OUXOOOMYRUBFBP-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102851
CN1C2=CC=NN2CC[C@@H](C1=O)NC(=O)C3=NN=C(C3)CC4=CC=C(C=C4)F	PC-id_160450810	382.155	QLNMSDTXYVTZMM-HNNXBMFYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-102852
O=C1Nc2n(cnc2C(=O)C(N1)I)Cc1ccccc1	PC-id_141814506	382.157	KGZKKTVUINQNEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102853
CC(=O)NC1=NC=C(S1)CN2CCC3=CN(N=C3CC2)CC4=CC=CC=N4	PC-id_154685826	382.158	GBDYOHATKVEHKZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102854
Brc1ccc(nc1)C(=O)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965625,PC-id_89580060	382.169	SUUNBQXIYMZSMM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102855
CN1C2=CC=NN2CCC(C1=O)NC(=O)C3=NC=C4COC5(C4=N3)CCCC5	PC-id_152135237	382.175	VIBHIVCXKBKRLV-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-102856
Cn1ncc2c1CCCN(C(=O)c1cncc(I)c1)C2	MCULE-4880929362,EMOLS-id_112009739,PC-id_136547633,ZINC22_408470590	382.2	RANHWXLXMHYDMI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102857
Brc1cc2-c(c(c(O)c2C(=O)OCC)C(=O)OCC)ccc1N	PC-id_10861859	382.206	GEIKTLQLJUJEQU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-102858
Brc1ccc(cn1)C(N1CCOc2n(CC1)cc(n2)[N+](=O)[O-])C	PC-id_71569827,SCHEMBL14965605	382.213	KFFQARUDKYVAGX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102859
CC1=C2C(=NN1CC3=CC=C(C=C3)OC)C(=CCCC2(C)C)C(=O)OC(C)C	PC-id_160562605	382.226	QZMZKWHXKZUZKP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-102860
CCCCCCOC(=O)c1cc(c2-c1ccccc2)I	PC-id_140078427	382.236	VVWZCSRKKWJLSF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-102861
N#Cc1c(Br)cccc1S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319784915	382.236	BJMAMLSUXSRRCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102862
N#Cc1ccc(cc1Br)S(=O)(=O)N1CCCn2c(C1)cnn2	MCULE-6662244483,EMOLS-id_320308549	382.236	MBIJWRQDTATRCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102863
CC1=C2C(=NN1CC3=CC=C(C=C3)OC)C(=CNCC2(C)C)C(=O)NC(C)C	PC-id_147880423	382.237	IAIIDEXZFBDGED-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-102864
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)CCc1cc(cc(c1)Cl)Cl	SCHEMBL16099316,PC-id_86345970	382.241	OHDCQFVBWULEAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102865
O=C(N1CCCc2c(C1)cnn2C)CNC(=O)c1cnc(c(c1)Cl)Cl	EMOLS-id_316573547	382.244	FRCWNIPKKFLIPL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102866
Ic1ccc(C(=O)c2sc3CCCCCc3c2)cc1	PC-id_43462821	382.259	JLRMDBDJEOIVBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102867
Brc1cc(sc1)C(=O)c1n2c(C(CCCC2)C(=O)O)cc1C	PC-id_20483795,SCHEMBL11200296	382.272	LTYVBKFJYXWLLR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-102868
Brc1c(scc1)C(=O)c1n2c(C(CCCC2)C(=O)O)cc1C	PC-id_20484119,SCHEMBL11196758	382.272	WOGKJBFLGSMVJI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-102869
Brc1sc(C(=O)c2n3c(C(CCCC3)C(=O)O)cc2C)cc1	SCHEMBL11198167,PC-id_20483950	382.272	YUIQCVHFYGXYNI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-102870
Brc1cc2c(cc1CSc1nnc3n1CCCCC3)OCO2	PC-id_8105538,MCULE-4795238825,EMOLS-id_3693657,CoCoCo_3654403,ZINC22_6879941	382.275	JLDYEJJSKPCWLS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102871
O=C(c1c[nH]c(=O)c(c1)Br)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111165328	382.275	IKPIIJOWEDDXTD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102872
O=C(Cc1ccnc(c1Br)O)Nc1nc2c(s1)CCCCC2	EMOLS-id_101145461	382.275	LUQLBPJWMNWMAP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102873
Clc1cc(N(Cc2n3CCCCCc3nn2)C(=O)NCC)ccc1Cl	PC-id_7566075	382.288	UNLBZMGODOSWBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102874
Clc1c(N(Cc2n3CCCCCc3nn2)C(=O)NCC)cccc1Cl	PC-id_7566104	382.288	LDGDOGUWPHGDAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102875
Clc1c(N(Cc2n3CCCCCc3nn2)C(=O)NCC)ccc(Cl)c1	PC-id_7566010	382.288	AYQJRUNWKRTBQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102876
Clc1c(N(Cc2n3CCCCCc3nn2)C(=O)NCC)c(Cl)ccc1	PC-id_7565995	382.288	GRLKVLSWECTVTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102877
BrCS(=O)(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_83083919	382.294	QLJGTUSNWNPYAI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-102878
c1(C(=O)c2ccc(Cl)cc2)c2CCCCCc2sc1NC(=O)CCl	ASN-05340636,EMOLS-id_6580013,PC-id_1432005,MCULE-2234701748	382.304	ORTSBRVSYDOXQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102879
N#Cc1cc2n(n1)CCCN(C2)C(=O)OCc1cc(F)cc(c1)C(F)(F)F	SCHEMBL16129710,PC-id_117616523	382.312	LCVHMWOMWSELOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102880
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1ccc([N+](=O)[O-])cc1	PC-id_19527288	382.337	WMCXNLAAKCAVSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102881
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c([N+](=O)[O-])cccc1	PC-id_19523730	382.337	AQPNMXNQAPHVFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102882
C1Cc2c(C[C@H]1C(F)(F)F)c(n[nH]2)C(=O)N[C@H]1CCn2c(ccn2)NC1=O	PC-id_137052841,SCHEMBL18372960	382.34	GVNFTESIRIGZJR-KWQFWETISA-N	00000000100010000101000000010010000000000000000000000000	31-01-102883
N=C/C(=CN1C=Nn2c(C(=O)N1)ccc2)/C(=O)N1CCC(CC1)C(F)(F)F	PC-id_145287385	382.34	VKOMXUNANHBMTC-UTXFVWFTSA-N	00000000100010000111000000000010000000000000000000000000	31-01-102884
Brc1ccc(cc1)C[N@H+](Cn1nc2n(c1=S)CCCCC2)C	GD-id_ZINC21363772	382.342	KZWSSRQVPRUJGE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-102885
O=C(CN1CCCc2occc2C1)NCc1cccc(OCC(F)(F)F)c1	MCULE-4762377519,ZINC22_585083923,EMOLS-id_177278104	382.377	FWQYXNCWOUMXMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102886
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(c(F)c1F)F	ZINC22_91462254,MCULE-4633778628,EMOLS-id_46042429,PC-id_72861709	382.38	UBRZAEVPJQMKDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102887
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cc(F)c(cc1F)F	MCULE-5846837329,PC-id_72886005,EMOLS-id_46060011,ZINC22_91644447	382.38	FOMNOTHAZIKENM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102888
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cc(F)c(c(F)c1)F	MCULE-7277801454,EMOLS-id_46036055,PC-id_72852722,ZINC22_91381502	382.38	GQNQCVAHXLKPBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102889
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cc(F)cc(F)c1F	ZINC22_91321185,EMOLS-id_46033195,MCULE-9640291836,PC-id_72848865	382.38	NDVHCUWUJNJLDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102890
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1c(F)cc(cc1F)F	ZINC22_91486871,PC-id_72864776,MCULE-7510035008,EMOLS-id_46044647	382.38	GTYQCDMVNPHNSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102891
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1c(F)ccc(F)c1F	PC-id_72880094,MCULE-3501729369,ZINC22_91620109,EMOLS-id_46055615	382.38	LZSAOTZJHGBUPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102892
CCn1nc2CCC(CCn2c1=O)C(=O)NCc1ccc(cc1)C(F)(F)F	EMOLS-id_207876827,MCULE-9413342983	382.38	WYPHMPZGHJTKSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102893
CN(C(=O)Cn1nc2n(c1=O)CCCCC2)Cc1cccc(c1)C(F)(F)F	PC-id_87006809	382.38	FZVROYGVFOCJTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102894
FC(F)(F)c1ccc(OCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_52259120	382.38	JKFRSNJGEQTNQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102895
FC(F)(F)c1cc(OCC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55534599	382.38	BUKUNNLWZVMXTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102896
FC(F)(F)c1c(OCC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_55618602	382.38	VQAFQIQJSVZDGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102897
FC(F)(F)Oc1ccc(CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55740533	382.38	ACOZZMGSOIPBCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102898
FC(F)(F)Oc1c(CCC(=O)NCc2n3CCCCCc3nn2)cccc1	PC-id_60226895	382.38	UJIJBMCKASFCSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102899
O=C(C1CCn2c(CC1)nnc2)NCCc1cccc(c1)OCC(F)(F)F	MCULE-5139553954,EMOLS-id_319894114	382.38	ZLEKHMHPSOKHBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102900
O=C(c1noc2c1CCCCC2)N1CCC(CC1)n1ccc(n1)C(F)(F)F	EMOLS-id_111433791	382.38	BMJABNGRHXSMCN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-102901
O=C(c1noc2c1CCCCC2)N1CCCC(C1)n1ccc(n1)C(F)(F)F	EMOLS-id_111433977	382.38	DXRWZLSEMIXXNL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-102902
O=C(CC1CCn2c(CC1)nn(c2=O)C)NCc1ccc(cc1)C(F)(F)F	EMOLS-id_207877319,MCULE-4777498663	382.38	LNXBASSNQPUKOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102903
O=C(N1CCCc2c(C1)cnn2C)NCc1ccccc1OCC(F)(F)F	EMOLS-id_318172503	382.38	HBVVMSZCWAUJFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102904
OC(=O)C1CCC(F)(F)c2nc(NC(=O)OCc3ccccc3)sc2C1	EMOLS-id_329930992	382.382	SDGXJYHGVUAKGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102905
c12CN(CCCn1nc(CNc1ccc(cn1)C(F)(F)F)c2)C(=O)N(C)C	MCULE-4264306363,EMOLS-id_46053153,PC-id_72876642,ZINC22_91593287	382.383	XUGFGSGVQFSOEA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102906
NC(=NCc1ccc(cc1)OC(F)(F)F)NCc1nnc2n1CCCCC2	PC-id_111597728	382.383	GUCDMVJABKWLCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102907
NC(=NCCc1nnc2n1CCCCC2)Nc1ccc(cc1)OC(F)(F)F	PC-id_111039167	382.383	CIFKBQSXEHVUET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102908
NC(=NCCc1nnc2n1CCCCC2)Nc1ccccc1OC(F)(F)F	PC-id_112380322	382.383	NDTZLUHYIGPYNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102909
c1(c(c2c([nH]1)CCCCC2=O)CCC(=O)O)/C=C/1C(=O)Nc2c1cc(cc2)F	SCHEMBL3796443,CHEMBL1214785,PC-id_46914158	382.385	QYNNHBGVUZCUGX-UVTDQMKNSA-N	00000010100000100100000000001010000000000000000000000000	31-01-102910
Fc1cc2C(=Cc3[nH]c4c(c3CCC(=O)O)C(=O)CCCC4)C(=O)Nc2cc1	SCHEMBL3796446,PC-id_68790986	382.385	QYNNHBGVUZCUGX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-102911
C1Cn2cc(nc2OCCN1Cc1ccccc1c1cc(ccc1)F)[N+](=O)[O-]	SCHEMBL14965655,PC-id_89580079	382.388	ATZNZYKXOPLRIM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102912
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1cc(ccc1)F)[N+](=O)[O-]	SCHEMBL14965746,PC-id_89580144	382.388	BCOSRFXJTMJQGS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102913
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2cc(ccc2)F)C1	PC-id_137646211	382.388	FPGHMKFOYMZTQO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102914
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2F)C1	PC-id_137656330	382.388	VELHZWRBGUIUQI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102915
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccc(cc2)F)C1	PC-id_137656704	382.388	AFFGVVGVLFKLNP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102916
Fc1cc(c2cc(CN3CCn4c(OCC3)nc([N+](=O)[O-])c4)ccc2)ccc1	SCHEMBL14966131,PC-id_71569830	382.388	RDKWCTGNTWVERJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102917
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCc2occc2)cc1	PC-id_50797964	382.388	JMYLYMZHPFDWPE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-102918
Cc1ccc(cc1F)C(=O)N1CCc2nnc(COc3cncnc3)n2CC1	EMOLS-id_46182205,PC-id_97405423,ZINC22_96084600	382.392	RHHIAXQMYXMUFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102919
c1(c2CCCCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1ccccc1	PC-id_1107220,EMOLS-id_2757220,SCHEMBL20541810,TIMTEC386746,CoCoCo_1696141,ZINC22_837675,MCULE-5773766075	382.4	PRBJMPPJVJEDLT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102920
c1(NC(=O)c2cccc(c2)C(F)(F)F)sc2c(CCCCC2)c1C(=O)N	MCULE-3866496019,EMOLS-id_4948555,PC-id_3494038,ZINC22_4134725,CoCoCo_3250490	382.4	HIWJRTKZVUEXFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102921
CN(c1ccc2-c(cc1)ccc2/C=C/C=C/C=NS(=O)(=O)C(F)(F)F)C	PC-id_101439798	382.4	HCTOXXGXXZKJOT-WQOXBGRESA-N	00000010100000000110000000000010000000000000000000000000	31-01-102922
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1ccccc1C(F)(F)F	EMOLS-id_44516390,MCULE-3910374518,PC-id_32752928	382.4	WAVRDZDODZBSDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102923
O=C(c1ccc(cc1)C(F)(F)F)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_55334299,SCHEMBL8288685	382.4	VJYHZZLQRWFPIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102924
O=C(CNC(=O)c1cc2c(s1)CCCCC2)Nc1ccc(F)c(F)c1F	MCULE-1696666350,EMOLS-id_43811746,ZINC22_5273330,PC-id_7601434	382.4	FCDPVICPRJDOTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102925
s1c2c(CCCCC2)c(c1NC(=O)c1c(cccc1)C(F)(F)F)C(=O)N	PC-id_60388046	382.4	WDPSMFUKOAMCIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102926
c1(NC(=O)Cn2c(C)cc(C(F)(F)F)n2)sc2c(CCCCC2)c1C#N	BAS-00924184,SPECS-id_AK-968/37129063,TIMTEC578119,ZINC22_649920,EMOLS-id_1294003,MCULE-8493526254,STOCK2S-31946,CoCoCo_153909,PC-id_996303	382.403	YQPZZHWFLMDIJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102927
Fc1ccc(cc1)C(=O)C1CCCn2c(C1)cc(n2)OCc1cccc(c1)F	SCHEMBL16982713,PC-id_118286608	382.403	LGXLRVLQTBYTRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102928
Fc1ccc(cc1)C(c1ccc(cc1)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320322634,MCULE-9689237271	382.407	ZVUFMULZXHYXPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102929
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCCC)C(=O)OC(C)C	PC-id_3474482	407.61	XKESANKFVOVKRQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118399
CN1CCN(CC1)C(=O)C1CN(Cc2ncnn2C1)C(=O)C1CC(F)(F)C1	EMOLS-id_313723096	382.408	YKJUSWHUTVLNSN-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-102930
CN1CCN(C(=O)[C@@H]2CN(C(=O)C3CC(F)(F)C3)Cc3ncnn3C2)CC1	ZINC22_1565549664	382.408	YKJUSWHUTVLNSN-CYBMUJFWSA-N	00001000100010000101000000000010000000000000000000000000	31-01-102931
CN1CCN(C(=O)[C@H]2CN(C(=O)C3CC(F)(F)C3)Cc3ncnn3C2)CC1	ZINC22_1614935919	382.408	YKJUSWHUTVLNSN-ZDUSSCGKSA-N	00001000100010000101000000000010000000000000000000000000	31-01-102932
CNC1=CCC(CC=C1N=Cc1nc2c([nH]1)C=CC(C=C2)(C)C(=O)O)C(=O)O	PC-id_143626628	382.413	YHGMUHWBPWIUNC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-102933
O=C1CCCN1Cc1ncn2c1CN(C(=O)c1ccc3c(c1)OCO3)CCC2	EMOLS-id_44370260,ZINC22_96259356,PC-id_97519440	382.413	USHHTDCKXWAKHV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-102934
O=C1NC(C(=O)N1c1cccc(c1)NC(=O)c1noc2c1CCCCC2)(C)C	EMOLS-id_101266375	382.413	KFUQURPDIPEDKU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102935
O=C1NC(=O)C(N1)(C)c1ccc(cc1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100108527	382.413	QSGFEGJTOQCTFM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-102936
O=C(N1CCCn2nc(cc2C1)C(=O)O)C1CCC(NC1=O)c1ccccc1	PC-id_75588345	382.413	PQVGUHGZSHJJEW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-102937
Cc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625611	382.415	LGEOVPFXAIBPFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102938
c12cc(nn1c(cc(C(=O)N1CCCn3nc(CCC(=O)O)cc3C1)n2)C)C	EMOLS-id_43131697,PC-id_56900554,ZINC22_72434427,MCULE-2489577107	382.416	HLAOXBMQNSSHMG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102939
c12nc(C)cc(C)n1nc(C(=O)N1CCCn3nc(CCC(=O)O)cc3C1)c2	EMOLS-id_46629494,MCULE-6907428072,PC-id_72896986,ZINC22_95375271	382.416	DNKGCNLUOLFMDS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102940
c1(cc([nH]n1)COc1ccccc1OC)C(=O)N1CCn2c(CC1)nnc2C	EMOLS-id_36580464,ZINC22_67727336,PC-id_56744988,MCULE-7004893416	382.416	RSURGNKILANXQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102941
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)c3ccc(nc3)OC)C2)n1	EMOLS-id_55609653,MCULE-6193704918,PC-id_91762427	382.416	GAXGQGNOYCQLGK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102942
c1(C(=O)NCc2cc3n(CCCN(C(=O)C)C3)n2)[nH]nc(c2ccc(C)o2)c1	ZINC22_97446844,PC-id_74234881,EMOLS-id_49648702,MCULE-7035862082	382.416	VPYSTKKHHTXYNQ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-102943
c1(C(=O)N)cn2c(CCN(C(=O)CCn3c4ccccc4nc3CO)CC2)n1	MCULE-2715227232,ZINC22_1875249748,EMOLS-id_331104063	382.416	XGOWMWFKKCYPNE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102944
Cc1nc(COc2ccc(C(=O)NCc3nnc4n3CCCCC4)cc2)no1	ZINC22_40043349,EMOLS-id_30244736,MCULE-6419384687,PC-id_45866982	382.416	KXCBTXIUFXWSML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102945
CC(C)c1nnc2CCN(Cc3nc(no3)c3ccc(cc3)C(=O)O)CCn12	EMOLS-id_36586152,PC-id_56747315,MCULE-2025620295,ZINC22_67818888	382.416	MXLWGRMEGHFXFY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102946
CC(C)n1c2ccccc2nc1CNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135093598	382.416	WFJSJBKAVLQCGX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102947
COc1ccc(cn1)C(=O)N1CCCn2c(C1)cc(n2)[C@H](c1ccnn1C)O	PC-id_100013532	382.416	GAXGQGNOYCQLGK-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102948
COc1ccc(cn1)C(=O)N1CCCn2c(C1)cc(n2)[C@@H](c1ccnn1C)O	PC-id_100013533	382.416	GAXGQGNOYCQLGK-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102949
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)[C@H]1CC(=O)NC(=O)N1	MCULE-6071686823,PC-id_56705485,EMOLS-id_36430444,ZINC22_67674601	382.416	LHRWMOOGQKRBED-CQSZACIVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102950
N1(C(=O)CNC1=O)CC(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	PC-id_56715740,ZINC22_67789987,EMOLS-id_36451761,MCULE-4004441858	382.416	RWVOOCGIBGACOP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-102951
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1ncc2c(n1)C1(CCCC1)OC2	SCHEMBL18367024	382.416	VIBHIVCXKBKRLV-ZDUSSCGKSA-N	00000010100000100101000000000010000000000000000000000000	31-01-102952
O=C(N1CCCn2nc(cc2C1)C(=O)Nc1ccccc1)C1NCC(=O)NC1	PC-id_75590545	382.416	UDSOTKYHZYDITN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102953
O=C(N1CCn2c(nnc2CCc2ccccc2)CC1)C1NC(=O)NC(=O)C1	PC-id_76403607	382.416	LHRWMOOGQKRBED-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-102954
O=C(NC(c1ncc(o1)c1ccccc1)C)NCc1nnc2n1CCOCC2	MCULE-6882784925,EMOLS-id_316751540	382.416	INQRBHQGTIPYPH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102955
c12CN(CCCn1nc(CNC(=O)c1ccc3c(c1)nn[nH]3)c2)C(=O)N(C)C	MCULE-4533270703,PC-id_72874003,EMOLS-id_46051237,ZINC22_91575273	382.42	RUSBQSQKPAOWEP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102956
c1(cnc(nc1O)Cn1cncn1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	MCULE-4723332067,ZINC22_91780840,EMOLS-id_44732570,PC-id_70761056	382.42	BAAVOCYDAYRWJZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-102957
c1(C(=O)NCc2cc3n(CCCN(C3)C(=O)N(C)C)n2)cn2c(nccc2)n1	PC-id_72919545,ZINC22_91907691,EMOLS-id_46084405,MCULE-3792523989	382.42	WYJDGRDRJFJUOV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102958
COc1cc(NC(=O)NCc2n[nH]c3c2CCCCC3)cc(n2cnnn2)c1	EMOLS-id_68925798,PC-id_118787875,ZINC22_299790726,MCULE-1106185701	382.42	CTCRULUXPVCZFO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102959
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncc2c(n1)n(nc2)C(C)C	SCHEMBL18366933	382.42	LPZSNBCCXMYMEM-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-102960
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1nnn(n1)CC1=CCCC=C1	SCHEMBL19659208	382.42	DKXSIJOWUHESOE-AWEZNQCLSA-N	00000000100011000101000000000010000000000000000000000000	31-01-102961
O=C(N(Cc1n[nH]c2c1CCCCC2)C)C1C(=O)N=C(N=C1)Cn1ncnc1	PC-id_78083783	382.42	SROAYGLUJMFLGV-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-102962
s1c2CCCCCCc2nc1NC(=O)c1cc(OC)c(OC(F)F)cc1	PC-id_56021461	382.425	YITDAVHJPGHMDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102963
c12CN(CCCn1nc(CN1CCC(CC1)(F)F)c2)C(=O)c1cnsn1	PC-id_56910079,MCULE-6164173112,EMOLS-id_43159868,ZINC22_72473619	382.431	BLAMHMJLHPLWGZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-102964
c1(NC(=O)c2c3CCCCCc3on2)c(C)nn(Cc2ccc(cc2)F)c1C	EMOLS-id_6687615,MCULE-8669336440,ZINC22_2465837,CHEMBL1326527,PC-id_3243280,ChEMBL-DNDi_CHEMBL1326527,TIMTEC396077	382.431	QBNXEVDTCNOWQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102965
CNCCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)cc2	PC-id_59250095,SCHEMBL13415605	382.431	ZVEAYNVSUSQIKX-PTNGSMBKSA-N	00000010100000100100000000001010000000000000000000000000	31-01-102966
Fc1cc2C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CCNC)C(=O)Nc2cc1	PC-id_72261526	382.431	ZVEAYNVSUSQIKX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-102967
Fc1c(c2oc(CCC(=O)NCc3n4CCCCCc4nn3)cc2)cccc1	PC-id_51266387	382.431	LUQKUVDQOGLWPX-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-102968
Fc1ccc(cc1)CC1(O)CCN(CC1)C(=O)Cn1ncc2c1N=CC=CC2	PC-id_143443379	382.431	DBJHHGJNDDUHHU-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-102969
s1c2c(CCN(C(=C(C2)C(=O)OC)C(=O)OC)C)c(c1N)C(=O)OCC	PC-id_45024507	382.431	JIFUBVIBXHYJHW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-102970
S1C2N(C(C1(C)C)C(=O)OC1CCCCCc3oc(=O)oc13)C(=O)C2N	PC-id_76109156	382.431	OURRIEZVRHZRGY-UHFFFAOYSA-N	00001010100000000101001000000010000000000000000000000000	31-01-102971
S1[C@H]2N([C@H](C1(C)C)C(=O)OC1CCCCCc3oc(=O)oc13)C(=O)[C@H]2N	PC-id_54170501	382.431	OURRIEZVRHZRGY-LIHKVMGKSA-N	00001010100000000101001000000010000000000000000000000000	31-01-102972
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(cc1)C=O)C#N	PC-id_3921294	382.433	VKBAEQANPNLEMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-102973
c1(NC(=O)c2cn3c(CCNCC3)n2)c(C)nn(Cc2ccc(cc2)F)c1C	MCULE-1680455183,ZINC22_1857717726,EMOLS-id_330401275	382.435	VNWYBPHPMAUNHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102974
Cc1cc(C)n(c2ccc(F)cc2CN2CCc3nc(C(=O)N)cn3CC2)n1	ZINC22_1940198281,EMOLS-id_336485313,MCULE-9600627735	382.435	AOFDJIFURFRUME-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102975
CCCc1c(cnn1c1ccc(cc1)F)NC(=O)C1CCn2c(CC1)nnc2	MCULE-2068609975,EMOLS-id_320021528	382.435	DMDQXRNPNAYCTO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102976
CCCc1c(NC(=O)[C@H]2CCc3nncn3CC2)cnn1c1ccc(F)cc1	ZINC22_879760498	382.435	DMDQXRNPNAYCTO-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102977
CCCc1c(NC(=O)[C@@H]2CCc3nncn3CC2)cnn1c1ccc(F)cc1	ZINC22_879760499	382.435	DMDQXRNPNAYCTO-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102978
Cn1c2c(cn1)N(C(=O)[C@H](CC2)NCc1nn(cc1F)Cc1ccccc1)C	PC-id_134267352,SCHEMBL19880612	382.435	SJKIKXSYDYWILJ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102979
Cn1c2c(cn1)N(C(=O)[C@@H](CC2)NCc1nn(cc1F)Cc1ccccc1)C	PC-id_134267444,SCHEMBL19880715	382.435	SJKIKXSYDYWILJ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102980
Cn1ccc([C@@H](NC(=O)N2CCCc3c(cnn3C)C2)c2ccc(F)cc2)n1	ZINC22_413428641	382.435	QKXAHQGWKVTUND-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-102981
Cn1ccc([C@H](NC(=O)N2CCCc3c(cnn3C)C2)c2ccc(F)cc2)n1	ZINC22_413428643	382.435	QKXAHQGWKVTUND-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102982
COCc1ccc(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)o1	PC-id_72849831,EMOLS-id_46033923,ZINC22_91326502,MCULE-2780998336	382.435	OZPHKYUQJSIRLI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-102983
Fc1ccc(cc1)C(c1ccn(n1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_316200736,MCULE-1133831744	382.435	QKXAHQGWKVTUND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102984
Fc1ccc(cc1)n1ncc(c1C)C(=O)N(Cc1nnc2n1CCCCC2)C	GD-id_ZINC45065207	382.435	UAACYLGIVIVPOR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102985
Fc1ccc(n2ncc(C(=O)NCCc3n4CCCCCc4nn3)c2C)cc1	PC-id_55585042	382.435	GXHDZRWYSZPZPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102986
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)F)n1nc(cc1C)C	EMOLS-id_101954979	382.435	JCUWWXTWOFDFCD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102987
Cc1ccc(C(=O)N2CCc3nc(C(=O)N=c4cc[nH]cc4)sc3CC2)o1	EMOLS-id_313793083,ZINC22_1565554655	382.436	XCPOLPFHKFWDPK-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-102988
Cc1cc(C(=O)N2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)no1	EMOLS-id_44303742,ZINC22_96146887,PC-id_97442411	382.436	XUPNQHZUOHAWJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102989
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)cccc1	PC-id_42340179	382.436	BZZMYRUQVPITOA-CQSZACIVSA-O	00000000101000110101000000000010000000000000000000000000	31-01-102990
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)cccc1	PC-id_42340181	382.436	BZZMYRUQVPITOA-AWEZNQCLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-102991
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cccc1	PC-id_74844143	382.436	BZZMYRUQVPITOA-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-102992
O=C(c1noc(c1)c1cccnc1)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_31951739,PC-id_47034560,MCULE-3683230456	382.436	FBBCIWZIXBADLD-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-102993
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(cc1)c1ocnn1	PC-id_9092551	382.436	BVLLDJSIYZBFBO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-102994
O=C(N1CCCn2c(C1)cc(n2)CNS(=O)(=O)c1cnoc1C)N(C)C	MCULE-2967931736,EMOLS-id_46615906,PC-id_72870315	382.438	BBAZUGJAWIYWRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-102995
Cc1nc(C(=O)N2Cc3ncnn3C[C@H](C(=O)Nc3ccccc3)C2)cs1	ZINC22_1565547400	382.44	QVHJDIIGZVJWSV-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102996
Cc1nc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)Nc3ccccc3)C2)cs1	ZINC22_1614930453	382.44	QVHJDIIGZVJWSV-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102997
Cc1nc(C(=O)N2CCCn3cnc(C(=O)Nc4cccnc4)c3C2)cs1	EMOLS-id_313790265,ZINC22_1565545898	382.44	NVEWUOMYIBYZSB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-102998
Cc1nc(cs1)C(=O)N1CC(Cn2ncnc2C1)C(=O)Nc1ccccc1	EMOLS-id_313723606	382.44	QVHJDIIGZVJWSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-102999
CN1C(=O)[C@H](CSc2n1ccc2)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19037356	382.44	XTYXMEHDNNYBNT-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103000
O=C1Nc2sc(nc2CCC1NC(=O)c1nnc([nH]1)Cc1ccccc1)C	SCHEMBL19037408	382.44	GUEZWLQWTKRJEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103001
O=C(NCc1ccccc1)c1cnn2c1CN(C(=O)c1csnn1)CCC2	EMOLS-id_313764814,ZINC22_1565549919	382.44	JNSAELBQNIAMRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103002
O=C(NCc1ccccc1)c1ncn2c1CN(C(=O)c1csnn1)CCC2	EMOLS-id_313789498,ZINC22_1565551184	382.44	NGTRYEJXBJOEFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103003
s1c2c(CCCCC2)c(c1NC(=O)c1cc(n2nnnc2)ccc1)C(=O)N	PC-id_55334108	382.44	RGZAZSZWIGLUOK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103004
CN(C)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)c(C(F)(F)F)c1	MCULE-4561234281,EMOLS-id_45636519,PC-id_71941980,ZINC22_89323041	382.443	MKQPAOVFTSFKRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103005
Fc1ccc(cc1)C(=O)N1CCCc2c(C1)sc(n2)COc1ccccc1	PC-id_66608537,SCHEMBL156464	382.451	LPEMUMVQABTTQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103006
s1c2CCCN(Cc2nc1COc1ccccc1)C(=O)c1ccc(F)cc1	PC-id_56941779	382.451	DWQBRXJUQHXNHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103007
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc(c(F)c1)OC	EMOLS-id_46077935,PC-id_72910673,ZINC22_91818923,MCULE-6132128870	382.453	KEJVBNPCGMVJLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103008
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1cc(F)ccc1OC	PC-id_70712212,EMOLS-id_44426119,MCULE-3918010853,ZINC22_82092086	382.453	DVWNULRSCVWYJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103009
O=C(c1noc2c1CCCCC2)N1CCC(CC1)Cc1ccccc1C(=O)O	EMOLS-id_72613375,MCULE-5978922129,PC-id_121952218	382.453	GNZSAQIFWURPMT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103010
O=C(c1ccc(cc1F)c1cncnc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100382461	382.454	FEXAPORROMELMP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103011
O=C(Nc1c(Cc2c3-c(cc2NC(=O)C)ccccc3)c2-c(c1)ccccc2)C	PC-id_15535231	382.454	TXNAAHPBXHIEAQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-103012
COCCOCCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)OC(C)(C)C	SCHEMBL18367392	382.455	MLEQZGRNODKWJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103013
S(=O)(=O)(N1C(Cc2sccc2CC1)C(=O)NO)c1ccc(OC)cc1	PC-id_54149784	382.455	OGYDQRDUFOJYTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103014
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(cc1)N1CCCC1	ZINC22_72481224,EMOLS-id_43180949,MCULE-5526281040,PC-id_56917369	382.456	NCVOCDRKBFOSHD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103015
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc2c(OCO2)c1	PC-id_72924764,ZINC22_91951889,MCULE-6954582796,EMOLS-id_46088227	382.456	GSEWOTPDOHQPBF-UHFFFAOYSA-N	00001010100000100101000000001010000000000000000000000000	31-01-103016
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccccc1C(=O)O	MCULE-1959228996,EMOLS-id_46065925,ZINC22_91677248,PC-id_72894124	382.456	MHIJEABWJYXJJM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103017
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cc1)C(=O)O	ZINC22_91645784,PC-id_72887675,MCULE-5299645166,EMOLS-id_46061263	382.456	OFWXPFMXUMXMLO-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103018
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1)CO)c2)C(=O)C1CCC1	ZINC22_91563323,MCULE-2351840051,EMOLS-id_46050353,PC-id_72872782	382.456	JAYYYLUACFHJFH-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103019
c12CN(CCCn1nc(CNC(=O)c1ccc(c(C)c1)O)c2)C(=O)C1CCC1	EMOLS-id_46053351,PC-id_72876899,MCULE-9682315135,ZINC22_91593754	382.456	VDMQPHUPUCWTTE-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103020
c12CN(CCCn1nc(CNC(=O)Cc1ccccc1O)c2)C(=O)C1CCC1	EMOLS-id_46090255,MCULE-5484805750,PC-id_72927527,ZINC22_91987986	382.456	VRNUIHZOETZFQS-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103021
c12CN(CCCn1nc(CNC(=O)COc1ccccc1)c2)C(=O)C1CCC1	MCULE-9784522775,ZINC22_91486802,EMOLS-id_46044575,PC-id_72864677	382.456	DFPXAJSGHDJEOF-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103022
c12C(=O)NCC(O)Cn1nc(C(=O)N1CCC(CC1)CCc1ccccc1)c2	EMOLS-id_82739777,PC-id_119073465,MCULE-9885245318	382.456	UEVIHWQQBOBAED-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103023
c12C(=O)NCC(O)Cn1nc(C(=O)NCC1(CCCCC1)c1ccccc1)c2	MCULE-5278581818,PC-id_119064458,EMOLS-id_82715679	382.456	BSXUEIVBKHCYQW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103024
C1CCN(C(=O)C1)CC(=O)N1CCCn2c(cc(n2)C(c2ccccc2)O)C1	PC-id_91777280	382.456	YJXGIYUEGPHCFU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103025
c1(C(=O)N2CCN(CC2)Cc2ccc3c(OCO3)c2)c2CCCCCc2[nH]n1	EMOLS-id_323249334,MCULE-6784733752	382.456	ALUUEIQHFVLQJV-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-103026
c1(C(=O)N(C2CCCC2)Cc2ccc(cc2)C)cc2n(CC(CNC2=O)O)n1	MCULE-5153763728,PC-id_119063975,EMOLS-id_82714387	382.456	BUUODWCUWNAKEC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103027
c1(C(=O)N)cn2c(CCN(CC2)C(=O)C2(CCCC2)c2ccc(cc2)OC)n1	EMOLS-id_331139332,MCULE-6989340542,ZINC22_1875241703	382.456	YFLMGGXEPYGDNO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103028
c1(oc(c(CN2CCCn3nc(C)cc3C2)n1)C)c1cc(OC)ccc1OC	ZINC22_71745214,EMOLS-id_43108403,MCULE-4234202080,PC-id_56868531	382.456	BXJCEVUYEJUNLQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103029
CC1Cc2ccccc2N1C(=O)CN1CCCn2nc(CCC(=O)O)cc2C1	MCULE-4227396256,PC-id_56896013,EMOLS-id_43114369	382.456	DCNPHCPYHDFLAB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103030
Cc1cc2cc(C(=O)N3CCCn4nc([C@H](O)CN(C)C)cc4C3)ccc2o1	PC-id_100067791,ZINC22_221408895	382.456	URNBCLXLUJVYLE-LJQANCHMSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103031
Cc1cc2cc(C(=O)N3CCCn4nc([C@@H](O)CN(C)C)cc4C3)ccc2o1	ZINC22_221408953,PC-id_100067792	382.456	URNBCLXLUJVYLE-IBGZPJMESA-N	00000000100000100101000001000010000000000000000000000000	31-01-103032
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC[C@@H]1CCCO1	CoCoCo_2544537	382.456	WDAIIWMFKXHKMW-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103033
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC[C@H]1CCCO1	CoCoCo_2544538	382.456	WDAIIWMFKXHKMW-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103034
Cc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_101038615	382.456	QMPZLUSSZRYSGE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103035
Cc1cccc(c1)NC(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111829979	382.456	DVMQICXGDWVZMH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103036
Cc1ccc(CN(C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)C2CCCC2)cc1	ZINC22_426477933	382.456	BUUODWCUWNAKEC-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103037
Cc1ccc(CN(C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)C2CCCC2)cc1	ZINC22_426477934	382.456	BUUODWCUWNAKEC-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103038
Cc1ccc(nc1)NC(=O)C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100940370	382.456	ZSXSRWKCCKASGE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103039
C=C1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)CCCCC(=O)O	PC-id_143188697	382.456	ATKAQRYRKOCXAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103040
CC1CN(CCN1C(=O)c1cnc2n1CCCCC2)c1ccc(cc1)C(=O)O	EMOLS-id_320361588	382.456	DJCHGYYEPFBDCK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103041
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCCn2nc(CCC(=O)O)cc2C1	ZINC22_72426785,PC-id_95870742	382.456	DCNPHCPYHDFLAB-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103042
C[C@H]1Cc2ccccc2N1C(=O)CN1CCCn2nc(CCC(=O)O)cc2C1	ZINC22_72426786,PC-id_95870743	382.456	DCNPHCPYHDFLAB-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103043
CC(=O)N1CCCn2c(C1)cc(n2)C(=O)NCc1ccc2c(c1)CC(O2)(C)C	EMOLS-id_32420684,PC-id_50975931,MCULE-6302682469	382.456	PSEWLYYRDZIKIE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103044
[C@@H]1(OCC(=O)N[C@@H]1c1ccccc1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_1529166854,EMOLS-id_316192740,MCULE-7882171731,PC-id_134707216	382.456	AMKOTZWYWSZPFZ-UXHICEINSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103045
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)c1ccc2oc(C)cc2c1	MCULE-3229355480,PC-id_90653563,EMOLS-id_50548733	382.456	URNBCLXLUJVYLE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103046
COc1ccc(cc1)C1(CC1)C(=O)N1CCc2nn(c(=O)n2CC1)CC1CC1	PC-id_91922448,EMOLS-id_50592152,MCULE-9685818847	382.456	VQSRCCCVNPCKBV-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-103047
COc1ccc(cc1)CN1C(=O)C=C(n2c(C1C(=O)NC(C)(C)C)cnc2)C	PC-id_102197783	382.456	MZOOKIDVPSFCFX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-103048
n1c(CNC(=O)c2cccc(c2)NC(=O)C2CCCO2)c2c(CCCCC2)[nH]1	MCULE-1315144634,EMOLS-id_222785858	382.456	PQFSRKXTBSDMNE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103049
N/C=C(N(c1cc(OC)c(c(c1)OC)OC)N)/C1=CCC=c2c(=C1)ccn2C	PC-id_143400253	382.456	MJGQQJSALIHKKE-AQTBWJFISA-N	00000000100000110110000000000010000000000000000000000000	31-01-103050
O1C(CCC1)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_46347978	382.456	WDAIIWMFKXHKMW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103051
O1CCN(CC1)C(=O)c1nn2CCCN(Cc2c1)C(=O)c1cc(c(cc1)C)C	EMOLS-id_32420782,PC-id_50975979,MCULE-1318021885	382.456	HAVVJVLAMZMICB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103052
O=C1NC[C@H](O)Cn2nc(C(=O)N3CCC(CCc4ccccc4)CC3)cc12	ZINC22_426691334	382.456	UEVIHWQQBOBAED-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103053
O=C1NC[C@@H](O)Cn2nc(C(=O)N3CCC(CCc4ccccc4)CC3)cc12	ZINC22_426691335	382.456	UEVIHWQQBOBAED-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103054
O(CC1(CCC1)C(=O)N1CCCn2nc(cc2C1)C(=O)Nc1ccccc1)C	PC-id_50963452	382.456	ZTEYLIHWZZPLOW-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103055
O=C(c1ccccn1)NCC1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_101050471	382.456	SVQIQFQGGLAPLK-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103056
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1cnccc1OCCC1CCCN1	SCHEMBL7401963,PC-id_70080020	382.456	VCBBTSRBUUVMHQ-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-103057
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1cnccc1OCCN1CCCC1	PC-id_10110447,SCHEMBL6093214	382.456	WWFOZLVQVJLJPC-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-103058
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)OC1(O2)CCCCC1	EMOLS-id_101970429	382.456	LABMBGHERPFCHK-UHFFFAOYSA-N	00000010100010100101000000000010000000000000000000000000	31-01-103059
O=C(N1CCC(CC1)NC(=O)c1noc2c1CCCCC2)Nc1ccccc1	EMOLS-id_100946319	382.456	UQMRZRQXOGHODC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103060
O=C(N1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O)CN1CCCCC1=O	PC-id_100055152	382.456	YJXGIYUEGPHCFU-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103061
O=C(N1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O)CN1CCCCC1=O	PC-id_100055154	382.456	YJXGIYUEGPHCFU-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103062
O=C(N1CCN(CC1)c1ccccc1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100958793	382.456	WYNHYNCDKUMNJX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103063
O=C(NCC1(c2ccccc2)CCCCC1)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426485477	382.456	BSXUEIVBKHCYQW-INIZCTEOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103064
O=C(NCC1(c2ccccc2)CCCCC1)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426485478	382.456	BSXUEIVBKHCYQW-MRXNPFEDSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103065
O=C(NCc1n[nH]c2c1CCCCC2)c1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC22_670467392	382.456	PQFSRKXTBSDMNE-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-103066
O=C(NCc1n[nH]c2c1CCCCC2)c1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC22_670467395	382.456	PQFSRKXTBSDMNE-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103067
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)c1cc(C)nc(C)n1	PC-id_72876403,MCULE-5797319413,EMOLS-id_46052973,ZINC22_91587449	382.459	XYXKCEHDTQSASN-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-103068
c12CN(CCCn1nc(CNc1ncccc1C(=O)N1CCCC1)c2)C(=O)C	EMOLS-id_44430379,ZINC22_82098756,PC-id_70724371,MCULE-3443640982	382.459	XSMBDXWVPFGCPZ-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-103069
c12CN(CCCn1nc(CN(C)Cc1cnc3ccccn13)c2)C(=O)OCC	PC-id_56885683,MCULE-7849243422,EMOLS-id_43071831,ZINC22_72432397	382.459	ADMUVQMXCUQEMG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103070
c12CN(CCCn1nc(CNC(=O)c1cnc(nc1C)C)c2)C(=O)C1CCC1	EMOLS-id_46093077,PC-id_72931394,ZINC22_92022550,MCULE-8415425523	382.459	MDJKRLJQKWKXBG-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-103071
c12nc(C)cc(C(=O)N3CCCn4c(cc(n4)C(CC)O)C3)c1c(nn2C)C	MCULE-8950696758,EMOLS-id_55677461,PC-id_91786123	382.459	FJBBVAISGAWAJT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103072
c1(C(C(C)C)NC(=O)C(=O)N2CCc3ccccc23)nnc2CCNCCn12	EMOLS-id_36443858,MCULE-3693384177,PC-id_56711907	382.459	LYHVPIZUQQRWLT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103073
c1(cn2c(CCN(Cc3cccnc3)CC2)n1)C(=O)N1CCN(CC1)C(=O)C	MCULE-8706426986,ZINC22_1940193713,EMOLS-id_336472755	382.459	PFIPSEABAMMVKY-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103074
c1(cn2c(CCN(Cc3cccnc3N)CC2)n1)C(=O)N1C[C@H]2[C@H]([C@H](C2)O)C1	ZINC22_1875249351,MCULE-1127027584,EMOLS-id_331088190	382.459	WZCGRSXTERNUNK-UXLLHSPISA-N	00001010100000101101001000000010000000000000000000000000	31-01-103075
c1(C(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)C)cn2c(CCNCC2)n1	ZINC22_1857719435,MCULE-9056690863,EMOLS-id_330472968	382.459	MZTARUKWYZGXFQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103076
c1(nccnc1C(=O)NCc1c2CCCCCc2[nH]n1)C(=O)N1CCCCC1	MCULE-3819458242,ZINC22_670463526,EMOLS-id_222783434	382.459	OSFAOIIUSATLOG-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-103077
c1([nH]nc2CCC(C)Cc12)C(=O)N1CCCn2c(cc(n2)C(=O)NC2CC2)C1	EMOLS-id_32372906,PC-id_50950696,MCULE-4018373917	382.459	JRGZUVNVSAMANJ-UHFFFAOYSA-N	00100000100010000101000000010010000000000000000000000000	31-01-103078
c1(=O)n(C)c2c(cc(cc2)CNC(=O)CCc2cc3n(CCCNC3)n2)n1C	PC-id_70730039,EMOLS-id_43100405,MCULE-2399500330,ZINC22_72421682	382.459	DRCPOBZTFGBLCL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103079
c1(=O)n(C)c2c(cc(cc2)NC(=O)N(C)Cc2c3CCCCCc3[nH]n2)n1C	PC-id_72845244,MCULE-4575095960,ZINC22_96132263,EMOLS-id_49144442	382.459	LXVIGAHBRNMMEM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103080
c1(=O)n(CC)c2c(cc(c(C)c2)NC(=O)c2cn3c(CCNCC3)n2)n1CC	MCULE-2173567479,ZINC22_1857738727,EMOLS-id_330468948	382.459	VTYDGGZKRCQGQN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103081
Cc1ccccc1CN1CCc2nnc(CNC(=O)C3CCC(=O)N3)n2CC1	MCULE-5362082383,EMOLS-id_20485669,PC-id_45190237	382.459	SNUKVXUTTJSTSR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103082
Cc1ccccc1CN1CCc2nnc(CNC(=O)[C@@H]3CCC(=O)N3)n2CC1	CoCoCo_1250749,ZINC22_20455747,CoCoCo_1250750	382.459	SNUKVXUTTJSTSR-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103083
Cc1ccccc1CN1CCc2nnc(CNC(=O)[C@H]3CCC(=O)N3)n2CC1	CoCoCo_1250751,CoCoCo_1250752,ZINC22_20455749	382.459	SNUKVXUTTJSTSR-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103084
Cc1ccc(cc1)C(=O)N1CCCC(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164560	382.459	ZHOXXWJQRYBXFL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103085
Cc1ccc(cc1)C(=O)NC1CCN(CC1)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_316666501	382.459	AYZTYWSFFZNTEH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103086
Cc1cccc(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)c1	MCULE-1739205604,PC-id_45198321,EMOLS-id_20521337	382.459	FOOQGTUFUUSHIS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103087
Cc1cccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)c1	CoCoCo_1302258,CoCoCo_1302257,ZINC22_20783493	382.459	FOOQGTUFUUSHIS-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103088
Cc1cccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)c1	CoCoCo_1302259,ZINC22_20783496,CoCoCo_1302260	382.459	FOOQGTUFUUSHIS-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103089
Cc1ccc(nc1)NC(=O)C1CCCN(C1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320191165,MCULE-8142688526	382.459	XWQQGGVYXLRHOE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103090
CC1CCC(=O)N1c1ccc(NC(=O)NCc2nnc3CCCCCn23)cc1	PC-id_74233057,MCULE-4955685399,EMOLS-id_49644988	382.459	JEBMWSHXMKQVHX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103091
CC(C)(C)c1nc2cc(NC(=O)Cn3nc4n(c3=O)CCCCC4)ccc2[nH]1	EMOLS-id_29666812,MCULE-9293265521,CoCoCo_4759006,PC-id_39693920,ZINC22_32466059,CoCoCo_4759007	382.459	MSNQWVJEVSQJPE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103092
C/C=C(C)/C(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	ZINC22_14889140,CoCoCo_1217111,PC-id_26282930,EMOLS-id_44851785	382.459	TTZRFQJXQNJDNZ-CRKCGEKBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-103093
CC(C[C@@H](N1Cc2c(C1=O)cccc2)C(=O)NC1CCc2n(CC1)nnn2)C	EMOLS-id_316570226,MCULE-5737242243	382.459	INGGQYVUXBCBJH-OMOCHNIRSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103094
CC(C)[C@@H](NC(=O)C(=O)N1CCc2ccccc12)c1nnc2n1CCNCC2	PC-id_95221450,ZINC22_67884386	382.459	LYHVPIZUQQRWLT-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103095
CC(C)[C@H](NC(=O)C(=O)N1CCc2ccccc12)c1nnc2n1CCNCC2	ZINC22_67884383,PC-id_95221449	382.459	LYHVPIZUQQRWLT-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103096
C/C=C(C(=O)N1CCc2n(CC1)c(nn2)CNC(=O)CCc1cccnc1)/C	CoCoCo_1217112	382.459	TTZRFQJXQNJDNZ-CQPUUCJISA-N	00000000100000101101000000000010000000000000000000000000	31-01-103097
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(C)nc3c1c(C)nn3C)C2	PC-id_100135061,ZINC22_222726294	382.459	FJBBVAISGAWAJT-QGZVFWFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103098
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(C)nc3c1c(C)nn3C)C2	ZINC22_222726361,PC-id_100135071	382.459	FJBBVAISGAWAJT-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103099
CCCn1c(=O)n(CC(=O)NCc2nnc3n2CCCCC3)c2ccccc12	PC-id_45866981,EMOLS-id_30244734,ZINC22_40043346,MCULE-6374437344	382.459	BELCRGTVHGDWKD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103100
C[C@@H]1CCc2n[nH]c(C(=O)N3CCCn4nc(C(=O)NC5CC5)cc4C3)c2C1	PC-id_95190114,ZINC22_67473379	382.459	JRGZUVNVSAMANJ-GFCCVEGCSA-N	00100000100010000101000000010010000000000000000000000000	31-01-103101
C[C@H]1CCc2n[nH]c(C(=O)N3CCCn4nc(C(=O)NC5CC5)cc4C3)c2C1	PC-id_95190115,ZINC22_67473380	382.459	JRGZUVNVSAMANJ-LBPRGKRZSA-N	00100000100010000101000000010010000000000000000000000000	31-01-103102
C[C@@H]1CCC(=O)N1c1ccc(NC(=O)NCc2nnc3n2CCCCC3)cc1	PC-id_97870199,ZINC22_97323958	382.459	JEBMWSHXMKQVHX-CQSZACIVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103103
C[C@H]1CCC(=O)N1c1ccc(NC(=O)NCc2nnc3n2CCCCC3)cc1	ZINC22_97323959,PC-id_97870200	382.459	JEBMWSHXMKQVHX-AWEZNQCLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103104
CCn1nc2CCC(CCn2c1=O)C(=O)NCCc1nc2ccccc2n1C	MCULE-6315414112,EMOLS-id_207876869	382.459	RFHHFXLYJJYOEE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103105
CCNC(=O)N1CCc2c1cc(cc2)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945157	382.459	MHWIVJUBAHTKJM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103106
Cn1ccc2c1C(=O)N(CCCN1CCN(CC1)c1ncccn1)CCC2=O	SCHEMBL6989073,PC-id_20083227	382.459	HYYDZOSLAZMOJJ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-103107
CN(Cc1ccco1)Cc1cnc2CCN(CCn12)C(=O)Cc1ccn(C)n1	EMOLS-id_313781703,ZINC22_1565542103	382.459	MIARARWETSIAFH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-103108
CN(C)c1nc2cc(C(=O)NCCCc3nnc4n3CCCCC4)ccc2o1	PC-id_71913897,MCULE-2195418727,EMOLS-id_45680837,ZINC22_89326909	382.459	HHOCAJYUFWTDJI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103109
CN(CCn1c(=O)[nH]c2c1cc(cc2)C(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_316694281	382.459	SXZPQEIADPRQQY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103110
COc1ccccc1c1n[nH]cc1CN(C)C1CCc2nn(C)c(=O)n2CC1	MCULE-3323931380,EMOLS-id_168571865	382.459	CLAGFFPEZPYYKS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103111
COc1ccc(CN2CCc3nn(C)c(=O)n3CC2)cc1Cn1ccnc1C	EMOLS-id_97099344,MCULE-3459423253	382.459	WDSJVWJAVZYYPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103112
n12CCCNCc1cc(CNC(=O)NCc1ccc(cc1)N1CCCC1=O)n2	EMOLS-id_177455190,ZINC22_426550407,MCULE-6228892743,PC-id_121506611	382.459	JUYDIRNMTCWRPW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103113
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)C(=O)C(=CC)C	PC-id_74494535,MCULE-3932971775	382.459	TTZRFQJXQNJDNZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-103114
o1nc(c2c(C(=O)NCCc3n4CCCCCc4nn3)cc(nc12)C(C)C)C	PC-id_78844152	382.459	BCCQQDRCVPOHFH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103115
O=C1CCC(N1)C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)C	ChEMBL-DNDi_CHEMBL38160006	382.459	OKOAEITYAJTHOP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103116
O=c1n2CCCCCc2nn1CC(=O)Nc1cc2[nH]c(nc2cc1)CCCC	PC-id_56172219	382.459	QUIXGMFKLZKFSB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103117
O=C1N(CCCN2CCN(CC2)c2ncccn2)CCC(=O)c2c1ccn2C	PC-id_10714927,SCHEMBL6780246	382.459	RMLYOSYXTMFCKD-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-103118
O=C(CC1CCc2n(CC1)c(=O)n(n2)C)NCCc1nc2c(n1C)cccc2	MCULE-7237788698,EMOLS-id_207877328	382.459	CLEFPAUEVITCMX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103119
O=C(N1CCC(C1)NC(=O)N1CCCc2c(C1)cnn2C)Nc1ccccc1	EMOLS-id_101706014	382.459	MPMIEJDPRVXFGQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103120
O=C(N1CCCC(C1)(C)C(=O)NC1CCn2c(CC1)nnn2)c1ccccc1	EMOLS-id_102158314	382.459	QEVRLKNCRZSFTM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103121
O=C(N1CCn2c(nnc2Cc2cccnc2)CC1)C1C(CC(NC1=O)C)C	PC-id_77920185	382.459	JKLFXRNAHFUHGQ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103122
O=C(Nc1ccc(cc1)N1CCCC1=O)NCCc1nnc2n1CCCCC2	EMOLS-id_99255580	382.459	CMSJPBYHSANDLM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103123
O=C(NCCc1n2CCCCCc2nn1)Nc1ccc(cc1)C(=O)NCC=C	PC-id_60491212	382.459	YHLDFDGJEPJYCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103124
O=C(NCCc1nnc2n1CCCCC2)Nc1ccccc1N1CCCC1=O	ZINC22_43852567,EMOLS-id_316861626,MCULE-5830614338,PC-id_136576927	382.459	OWUMPTMSRACIGA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103125
c1(c(C)n(nc1C)C)c1nn(c(C(=O)NCc2cc3n(CCCNC3)n2)c1)C	ZINC22_97797522,PC-id_74250109,EMOLS-id_49679696,MCULE-2798797910	382.463	SQRUVMXNXDDZOP-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-103126
O=c1n(CN2CCN(CC2)Cc2nnc3n2CCCCC3)nc2n1cccc2	PC-id_42933854,CoCoCo_4552944,MCULE-6955207776,EMOLS-id_24002348,CoCoCo_4552945	382.463	VQQSXFGVVHLXEU-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-103127
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)NC(c1nccn1C)c1nccn1C	MCULE-6890316587,EMOLS-id_316390382	382.463	UDZFXHLUMMMBPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103128
Brc1c2-c(c(c1OC)C(=O)C(Cl)(Cl)Cl)ccccc2	PC-id_16061634	382.464	GQVFYHIDGOYQSN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-103129
c1(sc2c(CCCCCC2)c1C(=O)N)NS(=O)(=O)c1ccc(cc1)F	MCULE-3662400704,TIMTEC406423,ZINC22_2748891,CoCoCo_895940,EMOLS-id_1994015,PC-id_2165609	382.473	QNBFFGBLYGJJFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103130
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1F)C	PC-id_60531950	382.473	QCEMLMSYINLRTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103131
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(cc(F)cc1)C	PC-id_55537730	382.473	KXYDFUXSTYHNTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103132
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(F)c(cc1)C	PC-id_60531898	382.473	MJSHCHKYUNXKAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103133
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(F)cc1	PC-id_8482883	382.473	OMWYWRVKJNRBAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103134
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(F)ccc1	PC-id_8482884	382.473	BYTQDLGITRCDIE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103135
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(F)cccc1	PC-id_8482899	382.473	OFRATWOHFXRCIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103136
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CC=Cc1ccc(cc1)F	PC-id_91940422,MCULE-7827625627	382.474	DDBRCHJJGGCFKI-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103137
c1(cn2c(CCN(Cc3ccccc3F)CC2)n1)C(=O)N1C[C@H]2C[C@@H]1CCC2	ZINC22_1940197566,EMOLS-id_336517309,MCULE-9365390688	382.474	ZYNVJMRXBDFOME-AEFFLSMTSA-N	00000010100010110101000000000110000000000000000000000000	31-01-103138
CCOC(=O)c1c(NC(=O)N(CC(C(=O)O)C)C)sc2c1CCCCC2	EMOLS-id_72871321,PC-id_122087729,MCULE-7202651349	382.474	IOZRFZMKYPHVCU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103139
CCOC(=O)c1c(N)sc2c1CCN(C)CC(C2)(C(=O)C)C(=O)OCC	PC-id_102478460	382.474	UFORJCKZOWKCPC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103140
Fc1cccc(c1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)ccn2C	PC-id_22738024,SCHEMBL6773509	382.474	SFSMYCUQKQVXHC-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-103141
Fc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)ccn2C	SCHEMBL6773794,PC-id_10571972	382.474	LRLJWHPEGMHYMK-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-103142
Fc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)cn(c2)C	PC-id_22737972,SCHEMBL6769688	382.474	GAWGKHOLAQHQOR-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-103143
Fc1ccc(/C=C/CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cc1	ZINC22_91657247,EMOLS-id_46063011,PC-id_72890102	382.474	DDBRCHJJGGCFKI-DUXPYHPUSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103144
Fc1ccc(N2CCN(CC2)CCCN2CC=Cc3c(n(cc3)C)C2=O)cc1	PC-id_10762464	382.474	JVCYHJXSEJQUGZ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-103145
O=C(c1noc2c1CCCCC2)N(C1CCS(=O)(=O)C1)CC1CCCO1	EMOLS-id_100950819	382.474	OGMSIIGEACMHKK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-103146
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C#N	MCULE-9979869950,PC-id_1220585	382.476	JLBIHUBIKAOCFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103147
Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1	PC-id_29155188,MCULE-7067700344,CoCoCo_2944377,ZINC22_20790207,EMOLS-id_43729034	382.476	DBWZHEHASUPYCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103148
COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC	EMOLS-id_26685939,CoCoCo_6596410,PC-id_1220586,TIMTEC241225,ZINC22_995708	382.476	JLBIHUBIKAOCFA-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103149
COc1cc(/C=CC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1OC	PC-id_92897190,CoCoCo_6596411	382.476	JLBIHUBIKAOCFA-LUAWRHEFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103150
N#Cc1c(sc2c1CCCCCC2)NC(=O)c1oc2c(c1C)C(=O)CCC2	EMOLS-id_110431568	382.476	GXOMMXKOKPKSQD-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-103151
O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1cc2c(s1)CCCCC2	MCULE-9902946697,EMOLS-id_44550750,PC-id_48024047,ZINC22_63323982	382.476	RGDMBARUZYTKAP-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-103152
O=C(OCC(=O)N1CCC(=N1)c1ccccc1)c1cc2c(s1)CCCCC2	EMOLS-id_3475089,MCULE-1587611003,ZINC22_5362487,PC-id_4804328,CoCoCo_2861461	382.476	YTMWZGIVTNPHFJ-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-103153
ONC(=O)c1cc2=CCC(=CC=c2s1)NC(=O)CCCC1=CCC=CC=C1	PC-id_143296622	382.476	VVFHALPGDXQUQM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-103154
s1c2CCCCCc2cc1C(=O)OC(c1oc(nn1)c1ccc(cc1)C)C	PC-id_78634979	382.476	GBCDJVOAGKLUBX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103155
s1c2CCCCCc2cc1C(=O)OCC(=O)N(CCC#N)c1ccccc1	PC-id_7352093	382.476	KFRJQIMOJZGIAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103156
s1c2CCCCCc2cc1C(=O)O[C@@H](c1oc(nn1)c1ccc(cc1)C)C	PC-id_8216206	382.476	GBCDJVOAGKLUBX-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103157
s1c2CCCCCc2cc1C(=O)O[C@H](c1oc(nn1)c1ccc(cc1)C)C	PC-id_8216209	382.476	GBCDJVOAGKLUBX-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103158
s1c2c(CCCCC2)c(c1NC(=O)Cc1c2c([nH]c1)cccc2)C(=O)OC	PC-id_52638641	382.476	HTDOFTDCGMXPHS-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-103159
s1c2c(CCCCC2)c(c1NC(=O)Cc1c2c(oc1)cc(cc2)C)C(=O)N	PC-id_55334313	382.476	XLELLNNELAJFCK-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-103160
s1c2CCCCCc2c(c1NC(=O)COc1ccc(cc1)C(=O)CC)C#N	PC-id_26116602	382.476	DJFTWNCINYGLJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103161
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(c(ccc1)C)C)C#N	PC-id_29155173	382.476	XQYKQXAIBJNSGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103162
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(cc(c1)C)C)C#N	PC-id_35686583	382.476	VBBCZRYPBIFVTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103163
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(c(cc1)C)C)C#N	PC-id_41932398	382.476	KXCWQLBXGAZMJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103164
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(ccc(c1)C)C)C#N	PC-id_42963790	382.476	QTNFRCKEZIYAQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103165
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(CC)cc1)C#N	PC-id_35686809	382.476	UIBDHCIIYULJRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103166
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1c(cccc1)C)C#N	PC-id_30801423	382.476	KHBGJFFEZLIVRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103167
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCc1ccccc1)C#N	PC-id_24348750	382.476	IUASOEWVSDVBMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103168
s1c2CCCCCCc2cc1C(=O)OCC(=O)N(c1ccccc1)CC#N	PC-id_31621976	382.476	FJGYKVDLGLCMHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103169
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)CC#N	PC-id_8953971	382.476	LMWLMRWVFIRJEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103170
s1c2CCCCCCc2cc1C(=O)OC(C(=O)Nc1c(cccc1)C#N)C	PC-id_24341560	382.476	UMUAZEMOTVRGFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103171
s1c2CCCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(cccc1)C#N)C	PC-id_7618526	382.476	UMUAZEMOTVRGFK-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103172
s1c2CCCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(cccc1)C#N)C	PC-id_7618533	382.476	UMUAZEMOTVRGFK-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103173
c1(cn2c(CCN(CC3CCOC3)CC2)n1)C(=O)N1CCS(=O)(=O)CC1	MCULE-8869218188,EMOLS-id_337691357	382.478	FZNXGFOQPUCDTB-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-103174
CC(C)(C)c1nc(CCNS(=O)(=O)Cc2noc3c2CCCCC3)no1	ZINC22_1875345927	382.478	MXLQVUMVBMQOGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103175
CC(=O)N1CCCN(CC1)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	MCULE-4568574548,EMOLS-id_317416283	382.478	OKOFOYBEUPZRJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103176
CS(=O)(=O)CCC(=O)N1CCCn2ncc(C(=O)NC3CCCC3)c2C1	EMOLS-id_313767104,ZINC22_2055751210	382.478	VPCUOEQCBAJVSQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-103177
O=C(C1CCNCC1)NC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C	EMOLS-id_323940591,PC-id_146160665	382.478	PZVBGQKCFDLFHB-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-103178
O=C(c1cn2c(n1)CCN(C[C@@H]1CCOC1)CC2)N1CCS(=O)(=O)CC1	ZINC22_2100545042	382.478	FZNXGFOQPUCDTB-AWEZNQCLSA-N	00000010100010000101000000000010000000000000000000000000	31-01-103179
O=C(c1cn2c(n1)CCN(C[C@H]1CCOC1)CC2)N1CCS(=O)(=O)CC1	ZINC22_2100545044	382.478	FZNXGFOQPUCDTB-CQSZACIVSA-N	00000010100010000101000000000010000000000000000000000000	31-01-103180
OC(=O)CN(CC1OCCN(C1)C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_122074610	382.478	KUQMKEVXCIKYMR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-103181
s1c2CCCCCCc2cc1C(=NNS(=O)(=O)c1c(onc1C)C)[O-]	PC-id_51430369	382.478	QZLKGZKWVZKTIN-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-103182
c12CN(CCCn1nc(C)c2)C(=O)Nc1ccc(cc1)SCc1ccco1	EMOLS-id_68925328,MCULE-2994023584,ZINC22_299789852,PC-id_118787652	382.479	BCJJMLLSUMFDLX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103183
c1(C(=O)Nc2sc3c(CCCCC3)n2)cc(nn1C)c1ccc(cc1)OC	EMOLS-id_323235553,MCULE-5720770023	382.479	POKWHJPVSDTCEC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103184
c1(NC(=O)CCCc2onc(c3ccccc3)n2)sc2c(CCCCC2)n1	MCULE-7245177219,EMOLS-id_323384964	382.479	IYEQFJGHGAXISS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103185
c1(NC(=O)Cn2ccc3c(cccc23)NC(=O)C)sc2c(CCCCC2)n1	STOCK7S-44580,PC-id_71828066,EMOLS-id_50403970,MCULE-9925156748,ZINC22_96118382,EMOLS-id_48570712	382.479	DDRYBYZDJFFQOB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-103186
Cc1ccc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)Nc1nc(cs1)C	PC-id_134807694	382.479	DUYVQKYZPXBGKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103187
Cn1ccnc1COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1	ZINC22_40119447,EMOLS-id_44119391,MCULE-7177713662,PC-id_45898511,CoCoCo_4917821	382.479	AZVFDIBCYGMTGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103188
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1cc2ccccc2n1C	EMOLS-id_313792050,ZINC22_1565553409	382.479	XXATUGIBDYQJNF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-103189
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1ccc2n(C)ccc2c1	ZINC22_1565554321,EMOLS-id_313793586	382.479	XKHNQDNDLSJTQE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-103190
CNC(=O)c1ccccc1NCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4134383,PC-id_17535890,EMOLS-id_16783265,ZINC22_12606492,MCULE-3614526745	382.479	NRZQGNGLVAHJTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103191
COc1cc(c2ccccc2)sc1C(=O)NCc1nnc2n1CCCCC2	MCULE-7225180629,ZINC22_51228534,PC-id_53515250,EMOLS-id_35724196	382.479	KYTSBLHOCLKPNO-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-103192
COc1ccc(cc1)c1ccc(s1)CNC(=O)C1CCn2c(CC1)nnc2	MCULE-1285918981,EMOLS-id_319960012	382.479	SXAQIXBVVADDNM-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-103193
COc1ccccc1c1nn(cc1C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_99816904	382.479	PPNCPCQSCDBDOW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103194
COc1ccc(cc1)N(C(=O)C1CCn2c(CC1)nnc2)Cc1cccs1	EMOLS-id_316789770	382.479	XDRJHGWVOKDXTN-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-103195
N#Cc1c(NC(=O)Cn2cnc(C3CCC3)cc2=O)sc2c1CCCCC2	ZINC22_134419650,PC-id_99636131,MCULE-3904348646,EMOLS-id_50343713	382.479	HYZOCCAUGYEHDB-UHFFFAOYSA-N	00001000100000100101100000000010000000000000000000000000	31-01-103196
OCc1csc2c1NC=NCCCCCN(C2=O)Cc1ccccc1C#N	PC-id_145583623	382.479	PNNSTWUAFHDRFS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-103197
s1c2CCCCCc2cc1C(=O)NCc1[nH]nc(n1)c1ccc(OC)cc1	PC-id_56524525	382.479	KNZYLLPPGSAHDP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103198
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCCC)C(=O)OCCC	PC-id_4455792	407.61	PWVNSUWRCIWRLE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118400
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc(ccc1)C(=O)N)C)C#N	PC-id_18126694	382.479	KLOUNIHPIBMAMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103199
s1c2CCCCCc2nc1NC(=O)c1nn(c2c(OC)ccc(c2)C)cc1	PC-id_56124511	382.479	VLDCMJIUBIKZSR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103200
s1c2CCCCCc2nc1NC(=O)C1=NN(C(C1)C(=O)C)c1ccccc1	PC-id_56357567	382.479	KJPPCHHOXVERRH-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-103201
s1c2CCCCCCc2cc1C(=O)Nc1nc([nH]n1)c1c(OC)cccc1	PC-id_52681684	382.479	LHVJMTBSKBGJFQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103202
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1[nH]c2c(n1)cccc2	PC-id_8122822	382.479	SLBLVAYKRRQURU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103203
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNc1ccc(cc1)C#N	PC-id_52732066	382.479	OAUVRIXTZXZHTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103204
s1c2CCCCCCc2nc1NC(=O)c1nn(c2ccc(OC)cc2)cc1	PC-id_56021987	382.479	QXOQHFIHNHBGGZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103205
CCn1nccc1S(=O)(=O)N1CCCn2c(C1)cc(n2)[C@H](CN(C)C)O	PC-id_100008192	382.481	BPNYIEBMWUCIKK-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103206
CCn1nccc1S(=O)(=O)N1CCCn2c(C1)cc(n2)[C@@H](CN(C)C)O	PC-id_100008194	382.481	BPNYIEBMWUCIKK-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103207
CCn1nccc1S(=O)(=O)N1CCCn2nc(cc2C1)C(O)CN(C)C	EMOLS-id_55606290,MCULE-2788363726,PC-id_91761218	382.481	BPNYIEBMWUCIKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103208
c1(C(=O)N2CCCC2)cc2n(CCCN(Cc3cccc4nsnc34)C2)n1	MCULE-9143527822,ZINC22_65375849,PC-id_50952569,EMOLS-id_32376542	382.483	UCQSBFJAZPUZCA-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-103209
c1(C(=O)NCCc2sccn2)cn2c(CCN(Cc3cccnc3)CC2)n1	ZINC22_1940193398,EMOLS-id_336465339,MCULE-1104330032	382.483	QAZYJAWNMBEHMU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-103210
c1(csc(NC)n1)C(=O)N1CCn2c(CC1)nc(CCc1ccccc1)n2	EMOLS-id_337758967,ZINC22_2356135602,MCULE-5561493810	382.483	LUGHNCSYCDKFQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103211
c1(NC(=O)NCc2c3CCCCCc3[nH]n2)nnc(Cc2ccccc2)s1	CoCoCo_1504943,EMOLS-id_24863205,PC-id_31125442,MCULE-1804858849,ZINC22_82039361,CoCoCo_1504944	382.483	SUUOUFNQWYIBHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103212
Cc1cc(C)cc(c1)c1nnc(s1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101858167	382.483	MWUGXKUWTUHAHE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103213
Cc1cc(NC(=O)CSc2nnc3n2CCCCC3)n(c2ccccc2)n1	CoCoCo_3082134,PC-id_9437334,ZINC22_8311951,MCULE-4664164342,EMOLS-id_11761412	382.483	PLVIELAXWADBGD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103214
Cc1ccsc1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1	PC-id_31042721,CoCoCo_1388536,CoCoCo_1388537,EMOLS-id_20580069,ZINC22_23366737,MCULE-3742737206	382.483	FLLHOOYOKZLVFN-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-103215
Cc1nc(c2cccc(NC(=O)NCc3nnc4n3CCCCC4)c2)cs1	PC-id_72866165,EMOLS-id_49152091,MCULE-2336669057,ZINC22_96139217	382.483	YMBRQECOMOTOTA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103216
Cc1ncsc1CCC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	MCULE-3989814169,ZINC22_82172073,EMOLS-id_44452843,PC-id_70788819	382.483	IJMKCQPJCVMLII-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-103217
CC(=O)NCc1nnc2n1CCN(CC2)Cc1scc(n1)c1ccccc1	ChEMBL-DNDi_CHEMBL17357102	382.483	SGOKMYJQMRWRMP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103218
O=C(Nc1csnc1c1ccccc1)NCCc1nnc2n1CCCCC2	EMOLS-id_319420246	382.483	OUAVNXVOYWAFAN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103219
O=C(NC(c1n[nH]c(n1)C)c1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_102555866	382.483	RSPVAUILNIFKRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103220
s1c2CCCCCc2nc1NC(=O)CCCn1nc(nn1)c1ccccc1	PC-id_56259014	382.483	YMGNHGTXZYGEJO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103221
s1c2CCCCCCc2nc1NC(=O)C(n1nnnc1)Cc1ccccc1	PC-id_56060776	382.483	YPNXKJUQCIDLPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103222
s1cc(CN2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)cc1	PC-id_45166626	382.483	WWLCFJCWSOGWKK-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-103223
Cc1ccccc1Nc1nc(N)nc(CSc2nnc3n2CCCCC3)n1	EMOLS-id_3641664,MCULE-8754986836,ZINC22_9468707,GD-id_ZINC09468707,CoCoCo_3081888,PC-id_16359189	382.486	JXEGYNXJSZCYMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103224
Cc1ccc(Nc2nc(N)nc(CSc3nnc4n3CCCCC4)n2)cc1	MCULE-2955233337,CoCoCo_3654372,EMOLS-id_13406194,PC-id_9117610,ZINC22_9469750	382.486	DSIJXGXNSZDFSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103225
O1C(OC/C=C/Cc2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)CCCC1	PC-id_10362493	382.493	WYPADSBQWNOBTR-GQCTYLIASA-N	00000010100010000110000000000010000000000000000000000000	31-01-103226
O1C(OCC=CCc2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)CCCC1	PC-id_85121642	382.493	WYPADSBQWNOBTR-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-103227
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)CCc1cc2-c(c1)ccccc2	PC-id_102236954	382.494	ZTAPWKPNRUIYRR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-103228
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)CCc1ccc2-c(cc1)ccc2	PC-id_102236956	382.494	DDMMZZIXDWKUCV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-103229
c12-c(ccc1/C=C/c1c(/C=C/c3c4-c(cc3)ccccc4)cccc1)ccccc2	PC-id_11451876	382.496	QRAHDXCEXQYXLK-YTEMWHBBSA-N	00000010100000110110000000000010000000000000000000000000	31-01-103230
c12-c(ccc1C=Cc1c(C=Cc3c4-c(cc3)ccccc4)cccc1)ccccc2	PC-id_72966839	382.496	QRAHDXCEXQYXLK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-103231
c12-c(ccc1/C=C/c1ccc(/C=C/c3c4-c(cc3)ccccc4)cc1)ccccc2	PC-id_11372484	382.496	CIKRLJVPCYKMHM-YTEMWHBBSA-N	00000010100000110110000000000010000000000000000000000000	31-01-103232
c12-c(ccc1C=Cc1ccc(C=Cc3c4-c(cc3)ccccc4)cc1)ccccc2	PC-id_72821203	382.496	CIKRLJVPCYKMHM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-103233
c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1cc2-c(c1)ccccc2	PC-id_141760653	382.496	GHHNOHIZXNUOQS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-103234
COC(=O)c1cc2c(n1CC(=O)N(c1cccc(c1)C)CC)CCCCCC2	PC-id_145220190	382.496	UXSSJADBINAPIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103235
O=C1N(CC(Cn2c1cc(c2)C(=O)CO)(C)C)Cc1ccc(C(C)(C)C)cc1	PC-id_58465611	382.496	XJPPDIUGRCPTOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103236
OC(=O)Cn1c(C)c(c2c1CCCCC2)Cc1ccccc1N1CCOCC1	PC-id_143971594	382.496	GLPSCLOQLGZTGQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103237
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCSC1=O)C(=O)OC	PC-id_52598479	382.498	QIJUOMHKDZATTK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-103238
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](CC(=O)N(C)C)C)C(=O)OC	PC-id_8712194	382.498	YXDYKLAALJOISW-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-103239
c12CN(CCCn1nc(C)c2)CC1(CCCN(CCc2ccccc2)C1=O)O	PC-id_56707285,MCULE-9784060175,EMOLS-id_36434250	382.499	ARYMVJSQGCSAHP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103240
c12CN(CCCn1nc(CCC(=O)N1CCCC1)c2)Cc1ccccc1OC	EMOLS-id_46060523,ZINC22_91645005,MCULE-8598642270,PC-id_72886688	382.499	KGJTZYOWFJDSCI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103241
c12CN(CCCn1nc(C(C)O)c2)C(=O)c1ccc(cc1)CN1CCCCC1	MCULE-7709695117,EMOLS-id_50528545,PC-id_90648082	382.499	NDNHVAIDWGMVRN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103242
c12CN(CCCn1nc(CN1[C@H]3CC[C@@H]1C[C@H](O)C3)c2)Cc1cccc(O)c1	ZINC22_102644898,EMOLS-id_43142674,MCULE-9531119262	382.499	NJRLINGSNRCTEU-NGRWLJPCSA-N	00000010100010110101000000000110000000000000000000000000	31-01-103243
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cc1C)OC	EMOLS-id_46083679,MCULE-4010121626,PC-id_72918599,ZINC22_91896108	382.499	FVUYPJOIIGERJM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103244
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cc1)OCC	EMOLS-id_46028453,ZINC22_91738188,MCULE-8478589672,PC-id_72842327	382.499	JNUUAEUOVYIZGP-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103245
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccccc1OCC	MCULE-3128290913,EMOLS-id_46052277,ZINC22_91586689,PC-id_72875500	382.499	OHMGNRBGXNSTKI-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103246
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(c(C)c1)OC	EMOLS-id_46055849,ZINC22_91620579,MCULE-1145721612,PC-id_72880397	382.499	YIHUCBOWXCDSKE-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103247
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cccc(OCC)c1	EMOLS-id_46055955,PC-id_72880537,MCULE-1664354258,ZINC22_91620842	382.499	HMJZANPFQWMARM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103248
C1(c2ccc(cc2)OC)(C(=O)NCc2cc3n(CCCN(CCC)C3)n2)CC1	PC-id_70768375,EMOLS-id_44445771,ZINC22_82138324,MCULE-9683288468	382.499	UIZSEEFDNOUBKS-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-103249
C1CCC(CC1)N(Cc1nnc2n1CCCCC2)Cc1ccc2c(c1)OCO2	EMOLS-id_98271528	382.499	IRSUXAICZMAMTR-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-103250
C1CCCN(CC1)C(=O)CN1CCCn2c(cc(n2)C(c2ccccc2)O)C1	MCULE-3047090276,EMOLS-id_55646590,PC-id_91775479	382.499	JZSQWQMLKDTZHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103251
c1(cn2c(CCNCC2)n1)C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C(C)(C)C)C1	EMOLS-id_330389498,ZINC22_1857716024,MCULE-6669149730	382.499	SSQYSWJHCOPMSX-RBUKOAKNSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103252
c1(CN(C)C(=O)CCC(=O)Nc2cccc(CC)c2)c2CCCCCc2[nH]n1	EMOLS-id_232829574,MCULE-2698908453,ZINC22_823531424	382.499	XBPPKCWOVQAGCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103253
c1(C(=O)NC2CCN(CC2)Cc2ccc(cc2)OC)c2CCCCCc2[nH]n1	MCULE-9503127640,EMOLS-id_323249596	382.499	RXGLVJRJBPXGEW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103254
c1(C(=O)N(C)CC2CCCCO2)cc2n(CCCN(Cc3ccccc3)C2)n1	EMOLS-id_32411922,PC-id_50971283,MCULE-8351720254	382.499	LIHYLWAZJJJSDS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103255
c1(C(=O)NCCCN2CCN(CC2)c2ccccc2)c2CCCCCc2on1	CoCoCo_2401437,EMOLS-id_16234859,ZINC22_9227035,CoCoCo_2401438,PC-id_17254382,TIMTEC399085,MCULE-5431324505	382.499	QEYQKHKICQQSAQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103256
O=C(N1CCCC1)c1nn2c(CN(CCC2)Cc2c(cc(OC)c(c2)C)C)c1	PC-id_50962101	382.499	HVIQHCDFPZZZBU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103297
c1(C(=O)NC[C@H]2CCCC[C@H]2O)cc2n(CCCN(Cc3ccccc3)C2)n1	EMOLS-id_32437374,MCULE-3575037934,PC-id_50984865,ZINC22_65532893	382.499	AQHRNNJTJBMTOF-WIYYLYMNSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103257
Cc1cc2n(n1)CCCN(C[C@]1(O)CCCN(CCc3ccccc3)C1=O)C2	ZINC22_67724490	382.499	ARYMVJSQGCSAHP-JOCHJYFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103258
Cc1cc2n(n1)CCCN(C[C@@]1(O)CCCN(CCc3ccccc3)C1=O)C2	ZINC22_67724494	382.499	ARYMVJSQGCSAHP-QFIPXVFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103259
Cc1ccc2oc(CN3CCCn4nc([C@H](O)CN(C)C)cc4C3)c(C)c2c1	ZINC22_221208172,PC-id_100065982	382.499	IDXVAPQRGRGGQK-HXUWFJFHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103260
Cc1ccc2oc(CN3CCCn4nc([C@@H](O)CN(C)C)cc4C3)c(C)c2c1	ZINC22_221208235,PC-id_100065983	382.499	IDXVAPQRGRGGQK-FQEVSTJZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103261
Cc1ccc(cc1)C1OCCCC1CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101730003	382.499	UXAMWOJASYZBSB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103262
CC(C)CCNC(=O)c1cnc2n1CCN(CC2)Cc1cc2c(cc1)OCC2	PC-id_134805155	382.499	OVHLETQVMSKZBZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103263
CC(CCNC(=O)C1CCc2c(C(=O)N1Cc1ccccc1)nn(c2C)C)C	PC-id_71161657,SCHEMBL14397909	382.499	BELPAEQCKCFTGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103264
CCN1CCN(CC1)c1ccc(c(c1)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100936275	382.499	AAPIOHWJBIAYGZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103265
CC(N1CCN(CC1)c1cccc(c1)NC(=O)c1noc2c1CCCCC2)C	EMOLS-id_100165093	382.499	HRHYRWRPYSKJLG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103266
CCN1CCN(CC1)Cc1ccc(cc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100930272	382.499	QBVFZLJYZSSLBH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103267
CCOc1nc2c(n1Cc1ccc(cc1)C)C(=O)N(C)CC(/C=C/N2C)(C)C	SCHEMBL19375300	382.499	HESRKNWYKFHJKN-OUKQBFOZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-103268
Cn1cc2c(c1)C(=O)N(CCC2O)CCCN1CCN(CC1)c1ccccc1	PC-id_22738079,SCHEMBL6773465	382.499	QCOZQFLRZHQYTN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103269
Cn1ccc2c1C(=O)N(CCCN1CCN(CC1)c1ccccc1)CCC2O	PC-id_20083210,SCHEMBL6997494	382.499	AQEGSVNRCSHWAL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103270
CN1CCN(CC1)Cc1ccc(cc1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100926540	382.499	XTAHHDJTCNGQMW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103271
CN(C)CC(O)c1cc2CN(Cc3oc4ccc(C)cc4c3C)CCCn2n1	EMOLS-id_50541049,PC-id_90651484,MCULE-7558080960	382.499	IDXVAPQRGRGGQK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103272
CN(C[C@H]1CCCCO1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2	PC-id_95132683,ZINC22_65433462	382.499	LIHYLWAZJJJSDS-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103273
CN(C[C@@H]1CCCCO1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2	ZINC22_65433458,PC-id_95132682	382.499	LIHYLWAZJJJSDS-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103274
CN(C(=O)c1noc2c1CCCCC2)C1CCN(CC1)CCc1ccccn1	EMOLS-id_100096536	382.499	TVBPCMLPPNDZJY-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103275
CN(C(=O)c1noc2c1CCCCC2)CCN1CCN(CC1)c1ccccc1	EMOLS-id_100097826	382.499	JEPOLNWCNWIQGF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103276
COc1cc(C2(C(=O)NCc3nnc4n3CCCCC4)CCCC2)ccc1C	PC-id_138998700,EMOLS-id_320357127,MCULE-5128554288,ZINC22_108256118	382.499	BFBYQNRZTYVDBE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103277
COc1cccc(c1)C1(CCCC1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318172248	382.499	DSDWXNGZOJKZDC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103278
COc1ccccc1C1(C(=O)NCc2nnc3n2CCCCC3)CCCCC1	PC-id_138993425,EMOLS-id_320293857,MCULE-1957155562,ZINC22_293077264	382.499	NONCLDHINMLTHR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103279
COC1(CCCCC1)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_100240378	382.499	BXYUZYWFEGALOK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103280
n12CCCNCc1cc(CCC(=O)N(CC1CCCO1)Cc1ccccc1)n2	PC-id_70710269,MCULE-4771095236,EMOLS-id_43064926	382.499	USVXBKGCLYODHH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103281
OC1CC2N(C(CC2)C1)Cc1nn2c(c1)CN(CCC2)Cc1cc(O)ccc1	PC-id_76437169	382.499	NJRLINGSNRCTEU-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-103282
OC1C(CCCC1)CNC(=O)c1nn2c(CN(CCC2)Cc2ccccc2)c1	PC-id_75595536	382.499	AQHRNNJTJBMTOF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103283
Oc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)ccn2C	PC-id_22738059,SCHEMBL6776156	382.499	DBZVYRMOSMZGSM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103284
Oc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)cn(c2)C	PC-id_22737985,SCHEMBL6774177	382.499	GTGVIYMHSBICED-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103285
OC1C[C@@H]2N([C@@H](CC2)C1)Cc1nn2c(c1)CN(CCC2)Cc1cc(O)ccc1	PC-id_56904320	382.499	NJRLINGSNRCTEU-QIDMFYOTSA-N	00000010100010110101000000000110000000000000000000000000	31-01-103286
OC1CCN(CCCN2CCN(CC2)c2ccccc2)C(=O)c2c1n(cc2)C	PC-id_10619929,SCHEMBL6774482	382.499	VXBQFMGPZOIEPA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103287
O(C1C(NC(=O)CCc2nn3c(CNCCC3)c2)CCC1)Cc1ccccc1	PC-id_77916925	382.499	CCQSGBQMYHFGAE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103288
OCC1CCN(CCCN2CCN(CC2)c2ccccc2)C(=O)c2c1[nH]cc2	PC-id_17879070,SCHEMBL7502213	382.499	ZZWVKINGIUHDOJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103289
O=C(CCc1cc2n(n1)CCCNC2)N(Cc1ccccc1)C[C@@H]1CCCO1	PC-id_95867290,ZINC22_72419394	382.499	USVXBKGCLYODHH-NRFANRHFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103290
O=C(CCc1cc2n(n1)CCCNC2)N(Cc1ccccc1)C[C@H]1CCCO1	ZINC22_72419395,PC-id_95867291	382.499	USVXBKGCLYODHH-OAQYLSRUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103291
O=C(CN1CCCn2nc([C@@H](O)c3ccccc3)cc2C1)N1CCCCCC1	PC-id_100050769,ZINC22_219997736	382.499	JZSQWQMLKDTZHP-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103292
O=C(CN1CCCn2nc([C@H](O)c3ccccc3)cc2C1)N1CCCCCC1	ZINC22_219997809,PC-id_100050770	382.499	JZSQWQMLKDTZHP-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103293
O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC(CCc2ccccc2)CC1	CoCoCo_4758475,EMOLS-id_24062634,PC-id_39698552,MCULE-1726175238,ZINC22_32470456	382.499	LGENYQUEXJJAPM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103294
OC(C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2)C1CCCCC1	EMOLS-id_101112357	382.499	YZAXQDYNSTZQKN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103295
O([C@H]1[C@H](NC(=O)CCc2nn3c(CNCCC3)c2)CCC1)Cc1ccccc1	PC-id_70775520	382.499	CCQSGBQMYHFGAE-NHCUHLMSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103296
O=C(N1CCCc2c(C1)cnn2C)NCC1(CCOCC1)c1ccccc1C	EMOLS-id_101724063	382.499	UADJCOFDPKXYKW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103298
O=C(N1CCCn2c(C1)cc(n2)[C@H](O)C)c1ccc(cc1)CN1CCCCC1	PC-id_100025273	382.499	NDNHVAIDWGMVRN-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103299
O=C(N1CCCn2c(C1)cc(n2)[C@@H](O)C)c1ccc(cc1)CN1CCCCC1	PC-id_100025275	382.499	NDNHVAIDWGMVRN-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103300
O=C(N(C1CCC(CC1)c1ccccc1)C)Cn1nc2n(CCCCC2)c1=O	PC-id_55588197	382.499	ASQOFHHUXYDPAL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103301
O=C(Nc1cccc(OCCN2CCCC2)c1)c1n[nH]c2c1CCCCCC2	PC-id_110089360,BDD-25323796,MCULE-3478628373,ZINC22_257230416	382.499	GCFHHZFNVQKZJW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103302
O=C(NC(C1CCCCC1)c1ccccc1)Cn1nc2n(CCCCC2)c1=O	PC-id_55690246	382.499	RSTLBZZRCWJNRB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103303
O=C(NCc1n2CCCCCc2nn1)CCC(=O)c1ccc(CC(C)C)cc1	PC-id_60445381	382.499	DUUZMCOOXGKGIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103304
O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc2n(n1)CCCN(Cc1ccccc1)C2	ZINC22_210422116	382.499	AQHRNNJTJBMTOF-RXVVDRJESA-N	00000000100010110101000000000010000000000000000000000000	31-01-103305
OC(=O)CCN1Cc2n(nc(CN3CC(CC3)Cc3ccccc3)c2)CCC1	PC-id_56890649	382.499	AQFIWJQVPGGGAP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103306
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1csc(C(=O)C)c1	ZINC22_91831048,PC-id_72912383,EMOLS-id_46079293,MCULE-4187635392	382.501	YTLQVBZMNPYGJQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-103307
c1(cc(sc1C)C)S(=O)(=O)NCc1cc2n(CCCN(C(=O)C)C2)n1	PC-id_70735916,ZINC22_82108377,MCULE-2546185016,EMOLS-id_44434457	382.501	ABXNJMTZKQUTNR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-103308
CCc1ccc(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)s1	MCULE-9274789851,PC-id_72849939,ZINC22_91326730,EMOLS-id_46033985	382.501	DIXQJUAHURNAEX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-103309
CCc1cc(C(=O)NCc2cc3n(n2)CCCN(S(=O)(=O)C)C3)cs1	ZINC22_91656222,MCULE-9832246981,EMOLS-id_46027629,PC-id_72841178	382.501	BJMWTSIWTKVLNV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-103310
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1cccs1	MCULE-4842660929,PC-id_91922747,EMOLS-id_50586257	382.501	SOPVMXMDLWQYIO-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-103311
CS(=O)(=O)N1CCCn2nc(CNC(=O)CCc3ccsc3)cc2C1	ZINC22_91649773,EMOLS-id_46061651,MCULE-7994601745,PC-id_72888190	382.501	NPCUGGSAWKKAOK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-103312
O=S(=O)(c1cnn(c1)C1CCOC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111914207	382.501	FCMLAOVVSXTBFB-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-103313
O=S(=O)(c1cnn(c1)C1CCOCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_111887305	382.501	WOAHFBUAWOMNLO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-103314
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(n(nc1C)C)C	PC-id_8823587	382.501	DLASCKVSFMYWSX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103315
c12CN(CCCn1nc(CNc1cc(CCC)nc(C)n1)c2)C(=O)C1CCC1	MCULE-1470688085,ZINC22_82155584,EMOLS-id_44448731,PC-id_70777052	382.502	JYCCHYFPSWHEIJ-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-103316
O=C(N1CCCc2c(C1)cnn2C)NCc1ccc(nc1)N1CCCCCC1	EMOLS-id_101724801	382.502	QFKPZHGZAREIEJ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-103355
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(nc1)N(C)C	ZINC22_82099899,PC-id_70727130,MCULE-7958682054,EMOLS-id_44431313	382.502	QOLBAOVDOQAMHV-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-103317
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cnc(nc1)C(C)C	PC-id_72896585,MCULE-1267779334,ZINC22_91693865,EMOLS-id_46067723	382.502	IHGKGAICWRTDTA-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-103318
c1(ccc2CN(CCCn12)C(C)C)C(=O)N1CCCN(CC1)c1ncccn1	MCULE-2389623843,EMOLS-id_317419102	382.502	WRFYEDZYXNYRMU-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-103319
c1(ncccc1C(=O)NCc1cc2n(CCCNC2)n1)N(C)C1CCCCC1	MCULE-1908877026,PC-id_70722506,ZINC22_82098119,EMOLS-id_44429707	382.502	MJBHQCIKENINPD-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103320
Cc1cccc(c1)N1CCN(CC(=O)NCc2cc3CNCCCn3n2)CC1	MCULE-7882799581,EMOLS-id_44429287,PC-id_70721302,ZINC22_82097843	382.502	LYQSWWODXYCCID-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103321
CC1CCN(CC1)c1ccc(cn1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101723889	382.502	FLDNDMUQKKAKFH-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-103322
Cc1cnccc1N1CCCN(CC1)C(=O)NCc1n[nH]c2CCCCCc12	PC-id_121502034,EMOLS-id_177419086,ZINC22_426491593,MCULE-6563541142	382.502	WIKFVKVIEOIVAH-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-103323
CCc1cccc(c1)NC(=O)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97405617	382.502	USPLPDMRCPYANS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103324
CCc1ccc(cc1)NC(=O)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97405618	382.502	FIFCWHZGSZXPFO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103325
CCc1ccccc1NC(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_44370742,ZINC22_96259597,PC-id_97519679	382.502	DYSHFZUECZGHMC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103326
CCc1nc(C)cc(n1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCCCCC2	CoCoCo_451614,ZINC22_19523139,PC-id_46957227,LEG-20008331,CoCoCo_451613	382.502	VUPVCRKDAMDIEX-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-103327
C=CCOc1ccccc1CN=C(NCc1nnc2n1CCCCC2)NCC	PC-id_111556776	382.502	UYPQZAWRLPAYRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103328
C[C@H](NC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1)C1CCCCC1	ZINC22_534588183	382.502	QDFBPCBIWFZCRD-INIZCTEOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103329
C[C@@H](NC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1)C1CCCCC1	ZINC22_534588184	382.502	QDFBPCBIWFZCRD-MRXNPFEDSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103330
CCN1CCN(CC1)c1cccc(c1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101853685	382.502	XYMGEJKCFARCKC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103331
CCNC(=NCC1Cc2c(O1)cccc2)NCCc1nnc2n1CCCCC2	PC-id_111949903	382.502	ZJFBRBBLTMQIFF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103332
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccc2c(c1)CCO2	PC-id_111563768	382.502	ZNLAGNBIJZNXHU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103333
CC(NC(=O)C1CCn2c(CC1)nnc2)CN1CCN(CC1)c1ccccc1	EMOLS-id_319796561	382.502	OCASIKIDXOMLTD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103334
CC(NC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1)C1CCCCC1	PC-id_122559219,MCULE-2949119784,EMOLS-id_177388038	382.502	QDFBPCBIWFZCRD-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103335
CN1CCCN(CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)CC1	ZINC22_2356151794,MCULE-1253179455,EMOLS-id_337836853	382.502	ZNKQYGOUYAXGPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103336
CN1CCN(CC1)c1ccc(c(c1)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101847103	382.502	OORPSUYUGHYAJN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103337
CN1CCN(C(C1)c1ccccc1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_53533451,EMOLS-id_36637903,MCULE-2897201593	382.502	ZJRFYWFGJYQNCP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103338
CN1CCN(C(=O)NCCc2nnc3n2CCCCC3)[C@H](c2ccccc2)C1	ZINC22_45385971,PC-id_52216040	382.502	ZJRFYWFGJYQNCP-SFHVURJKSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103339
CN1CCN(C(=O)NCCc2nnc3n2CCCCC3)[C@@H](c2ccccc2)C1	ZINC22_45385975,PC-id_52216041	382.502	ZJRFYWFGJYQNCP-GOSISDBHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103340
CN(C)c1ccc(cc1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	PC-id_97405562,ZINC22_96084739,EMOLS-id_46182505	382.502	QBZMJLRGGMDJCU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103341
CN(C)c1cccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c1	MCULE-2051414936,EMOLS-id_13452950,PC-id_17440478,ZINC22_23995508,CoCoCo_4526297	382.502	JQWSHOSAZSJASB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103342
CN(C)c1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	CoCoCo_4526298,ZINC22_23995397,PC-id_17439840,MCULE-8304594936,EMOLS-id_13466101	382.502	MUXATUJYVZQHIS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103343
CN=C(N1CCOC(C1)c1ccccc1C)NCc1nnc2n1CCCCC2	PC-id_109479619	382.502	ANJNLZUTAYCDJM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103344
CN=C(NCC1Cc2c(O1)cccc2)NCCCc1nnc2n1CCCCC2	PC-id_111949329	382.502	WVEZPZFTEFYUPV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103345
CN=C(NCc1nnc2n1CCCCC2)NCc1ccccc1OCC1CC1	PC-id_111576745	382.502	PLRQHOZJHFOKGR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-103346
CN=C(NCCc1nnc2n1CCCCC2)NCCc1ccc2c(c1)CCO2	PC-id_111563204	382.502	XAYNOFZNLRVVCT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103347
CN(C(=O)C1CCn2c(CC1)nnc2)CCC1CCN(CC1)c1ccncc1	MCULE-4303485066,EMOLS-id_320024635	382.502	WVWYRFPOXVFOED-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-103348
CN(C(=O)C1CCn2c(CC1)nnc2)CCN1CCN(CC1)c1ccccc1	EMOLS-id_319644497	382.502	UKRQWARAPKZQPY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103349
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)Cc1cccnc1	EMOLS-id_20521727,CoCoCo_1302787,PC-id_29153327,ZINC22_20783710,CoCoCo_1302786,MCULE-8338393423	382.502	OAQCWOIZNSHCBU-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103350
N#Cc1c(NC(=O)CSc2nc3ccccc3[nH]2)sc2c1CCCCC2	CoCoCo_3027430,CoCoCo_3027431,ZINC22_12533703,MCULE-4574310734,EMOLS-id_43760206,PC-id_2086126	382.502	DQWXSHWGDHBUGO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103351
N#Cc1c(NC(=O)CSc2ncc3ccccn23)sc2c1CCCCC2	ZINC22_24982911,EMOLS-id_33329366,PC-id_32292690,MCULE-2443275609	382.502	AKJDBXAXRSSFTP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103352
O=C(C1CCn2c(CC1)nnc2)NCCN1CCN(CC1)Cc1ccccc1	EMOLS-id_319343132	382.502	GGGSIMOFBQPFSO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103353
O=C(N1CCCc2c(C1)cnn2C)Nc1cnc(c(c1)C)N1CCCCC1C	EMOLS-id_101947911	382.502	UKGWYHGYEWDJPT-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-103354
O=C(N1CCN(CC1)c1cc(ccc1)C)NCCc1n2CCCCCc2nn1	PC-id_55589841	382.502	GRMOPCDXRMPPDJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103356
O=C(N1CCN(CC1)Cc1cc(ccc1)C)NCc1n2CCCCCc2nn1	PC-id_60431726	382.502	HKCLJYQPIRBNQX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103357
O=C(N1CCN(CC1)Cc1ccccc1)NCCc1n2CCCCCc2nn1	PC-id_52216047	382.502	XVZOBTIIHVJPGV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103358
O=C(NC1CCN(C1)C(c1ccccc1)C)NCc1nnc2n1CCCCC2	EMOLS-id_97917471	382.502	JNBVWYUIXMWLJJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103359
O=C(NCC1CCN(C1)c1ccccc1)NCCc1n2CCCCCc2nn1	PC-id_55745137	382.502	BKPAJBAZZPBMON-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103360
O=C(N(CC1C(NNC1)c1ccccc1)C)CCc1nn2c(CNCCC2)c1	PC-id_77900475	382.502	DMGAIBCOTYKCPX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103361
O=C(NCCc1n2CCCCCc2nn1)NCc1ccc(N2CCCC2)cc1	PC-id_55745138	382.502	KJPPINMXVFALJJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103362
s1c2CCCCCc2c(c1NC(=O)C(Sc1nccc(c1)C#N)C)C#N	PC-id_60459033	382.502	UTOUDNOYONQFBL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-103363
c12CN(CCCn1nc(CNC1CCN(CC1)Cc1ccccn1)c2)C(=O)C	EMOLS-id_44437639,MCULE-5563024545,PC-id_70744823,ZINC22_82115989	382.503	UMOKNOQBELGBFI-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103364
CC(c1ccc(cc1)C1CCCCN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102166969	382.503	ZEWCGEFNMWWIJK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103365
C=CCOc1ccccc1CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111556197	382.503	OSFVAZKBQINGBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103366
CN=C(N1CCC(CC1)Oc1ccccc1)NCc1nnc2n1CCCCC2	PC-id_109425530	382.503	WCPOXDJUQMOPPQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103367
COc1ccc(cc1)C1CCN(C1)C(=NC)NCc1nnc2n1CCCCC2	PC-id_111731215	382.503	HBIKWKSQDKYTRR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103368
O=C(C1CCCCC1)NCCc1nnc2n1CCN(CC2)Cc1ccccn1	CoCoCo_1325321,PC-id_29215333,CoCoCo_1325320	382.503	BSFLZWPOMWYTNI-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103369
O=C(N1CCCC1c1ccc(cc1)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102158884	382.503	BBTKRFXGYRHEOP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103370
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(CC1)C(c1ccncc1)C	EMOLS-id_101717022	382.503	RASXSOGHMWLEOA-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103371
O=C(N1CCC(CC1)Cc1ccc(c(c1)C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102161248	382.503	XUDKBGNCZYXRTM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103372
O=C(N1CCC(CC1)Cc1cccnc1)NCCc1nnc2n1CCCCC2	EMOLS-id_98649705	382.503	XYDHBQKCYNXPNT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103373
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccccn1	PC-id_111220403	382.506	CILKBKYJQHGDHH-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-103374
s1c2[C@@H](OCCOCCOCCOCCO[C@H](c1cc2)CC=C)CC=C	PC-id_10809937	382.514	DZBRKSZDVOGBLO-ROUUACIJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103375
s1c2C(OCCOCCOCCOCCOC(c1cc2)CC=C)CC=C	PC-id_85275338	382.514	DZBRKSZDVOGBLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103376
c12CN(CCCn1nc(CN1CCC(CC1)F)c2)CC(=Cc1ccccc1)C	MCULE-6365496065,PC-id_72074980	382.517	OPWGYZSTJGUZDG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103377
C/C(=Cc1ccccc1)/CN1CCCn2nc(CN3CCC(F)CC3)cc2C1	EMOLS-id_44856718,PC-id_56914301,ZINC22_72168607	382.517	OPWGYZSTJGUZDG-XMHGGMMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-103378
c1(c2CCCCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCCC1	CK1694878,BAS-01533247,ZINC22_1182279,CoCoCo_203793,Chemmine_28224,ChEMBL-DNDi_CHEMBL6241234,EMOLS-id_1341488,PC-id_1345754,MCULE-4570650459	382.519	NHCYVQPSEYDJEO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-103379
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)N1CCCC1	ZINC22_708176,EMOLS-id_1116300,MCULE-4574668063,PC-id_1037561,CoCoCo_1731143	382.519	ZDKNCKHAIBBTFT-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-103380
c1(c2CCCCCc2sc1NC(=O)c1ccccc1)C(=O)N1CCCCC1	SCHEMBL16210887,BAS-00486689,PC-id_1268392,EMOLS-id_1230889,MCULE-6754497120,ZINC22_1081669,CoCoCo_81712	382.519	KHORCUBSNRJERM-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-103381
c1(c2CCCCCc2sc1NC(=O)c1cccc(C)c1)C(=O)N1CCCC1	PC-id_1239140,CoCoCo_1949783,ZINC22_1024972,EMOLS-id_2384973,MCULE-7324100181	382.519	VLFHOUKMHPGODW-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-103382
c1(cc2c(CCCCC2)s1)C(=O)N1CCN(CC1)c1ccc(C(=O)C)cc1	MCULE-4776061802,TIMTEC406421,CoCoCo_542138,PC-id_1246360,ZINC22_1054982,EMOLS-id_2042528	382.519	QNBAICJPFUYJBV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103383
c1(NC(=O)c2ccc(cc2)OCCC(C)C)sc2c(CCCCC2)c1C#N	EMOLS-id_4397163,TIMTEC212407,CHEMBL1512274,ZINC22_2272601,MCULE-6291640835,STOCK1S-58068,PC-id_1898233,CoCoCo_1710073	382.519	IEXCFFRNTHAZNE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103384
c1(NC(=O)c2ccc(cc2)OCCCCC)sc2c(CCCCC2)c1C#N	PC-id_4294481,CoCoCo_5018502,EMOLS-id_5474840,ZINC22_4194662,MCULE-8064413327	382.519	GLVGCOPSENIPGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103385
c1(NC(=O)C(C)Oc2ccc(cc2)CCC)sc2c(CCCCC2)c1C#N	SPECS-id_AG-205/13768024,MCULE-3514724560,EMOLS-id_6770552,PC-id_4005818	382.519	XDQQVUDIOGXBDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103386
c1(NC(=O)COc2cc(C)ccc2C(C)C)sc2c(CCCCC2)c1C#N	STOCK2S-40470,PC-id_1038500,SPECS-id_AG-205/13866021,ZINC22_709408,MCULE-3001346100,EMOLS-id_3742956,CoCoCo_1713816	382.519	BOFPTXXUIDHQEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103387
CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	PC-id_5886885,ZINC22_5384659	382.519	CUNQQRQDWVRXOD-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103388
CCCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	CoCoCo_1953167,ZINC22_3671197,PC-id_7046674	382.519	XDQQVUDIOGXBDB-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103389
CCCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	PC-id_7046675,ZINC22_3671198,CoCoCo_1953168	382.519	XDQQVUDIOGXBDB-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103390
NC(=O)c1ccc(CN(C(=O)c2cc3c(s2)CCCCCC3)C2CC2)cc1	MCULE-3155779325,CoCoCo_4722862,PC-id_36452293,ZINC22_29264974,EMOLS-id_24959673	382.519	JNYIZDTXHUTPPQ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-103391
O=C(C1CCCCC1)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709936	382.519	FDGQSUMJKUQKEU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-103392
O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc2c(s1)CCCCCC2	CoCoCo_4804767,ZINC22_30129193,PC-id_37360228,EMOLS-id_25669339,MCULE-4252772855	382.519	GCJSTJWAKNWIAL-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-103393
s1c2c(CCCCC2)cc1C(=O)N1CCC(CC1)C(=O)Nc1ccccc1	PC-id_41500300	382.519	BHFCGEUZIXMZPZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-103394
s1c2CCCCCc2cc1C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1	PC-id_55892322	382.519	YQNAJKIPTQUAJK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-103395
s1c2CCCCCc2cc1C(=O)NC(c1ccc(NC(=O)C2CC2)cc1)C	PC-id_55583984	382.519	BKTYRERSCDIUMX-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-103396
s1c2c(CCCCC2)cc1C(=O)NC(C(=O)NC1CC1)Cc1ccccc1	PC-id_56326138	382.519	NLOWHDDQUMCECE-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-103397
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)N	PC-id_3654722	382.519	CUNQQRQDWVRXOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103398
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)c1ccccc1	PC-id_31363152	382.519	NADFMWPFIKLDTE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103399
s1c2CCCCCCc2cc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1	PC-id_46536020	382.519	CKYIGFUBJFAUCQ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-103400
s1c2CCCCCCc2cc1C(=O)NCc1cc(NC(=O)C2CC2)ccc1	PC-id_46808177	382.519	NTRGRMJRGWRWPX-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-103401
SCN(C(=C)c1cc(C(C)C)c(cc1O)O)C1=CCc2c(C=C1)n(cc2)C	PC-id_143589291	382.519	KURYHVBSYSBQMY-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-103402
CC1CC(C)CN(C1)C(=O)C(S(=O)(=O)Cc1nnc2n1CCCCC2)C	EMOLS-id_100843586	382.521	KJMXFHIDQLAQBG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-103403
CN1CCC(CCNC(=O)c2ccc3CN(CCCn23)S(=O)(=O)C)CC1	MCULE-2095494517,EMOLS-id_317419101	382.521	BKZADZGQXSFJPB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-103404
OCCN(C(=O)Nc1sc2c(n1)CCCCCC2)CCN1CCOCC1	EMOLS-id_101074510	382.521	ITDBDVLTPCUOEK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-103405
OC(CN(C(=O)Nc1sc2c(n1)CCCCCC2)C)CN1CCOCC1	EMOLS-id_101103797	382.521	MBRFMMCSEBMMHG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-103406
CC(C)(C)n1nc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1C1CC1	PC-id_71890733,EMOLS-id_44538847,ZINC22_84325531,MCULE-4668819892	382.522	ARHLPVJOCBFIFN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-103407
C/C=C(/C[N@H+]1CCc2n(CC1)c(nn2)CCNC(=O)c1ccc(cc1C)C)C	GD-id_ZINC11979299	382.522	ALYLBWFGIKSBRA-FZSIALSZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-103408
CCN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccn1	PC-id_72101380,EMOLS-id_43410983,ZINC22_79058904,MCULE-6181546977	382.522	ZDRMGKXVLJDKIY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-103409
O=C1NC(NC(C1)C)c1ccc(C[NH+](Cc2n[nH]c3c2CCCCC3)C)cc1	PC-id_85480551	382.522	HRTSZERAOFWEBD-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-103410
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)C)C1CC1	PC-id_74803680	382.522	FWWWJNHJLAASTK-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-103411
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)C)C1CC1	PC-id_42440546	382.522	FWWWJNHJLAASTK-MRXNPFEDSA-O	00100000100000110101000000000010000000000000000000000000	31-01-103412
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)C)C1CC1	PC-id_42440548	382.522	FWWWJNHJLAASTK-INIZCTEOSA-O	00100000100000110101000000000010000000000000000000000000	31-01-103413
s1c2c(CCCCC2)c(c1NC(=O)CCN1C(c2n(CC1)ccc2)C)C#N	PC-id_51225453	382.522	SKNPXEQUDMNRAK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-103414
S(c1n2CCCCCc2nn1)CC(=O)C=C1N(c2c(C1(C)C)cccc2)C	PC-id_29462620	382.522	HTPSMFBTWGBRNW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103415
S(c1n2CCCCCc2nn1)CC(=O)/C=C/1N(c2c(C1(C)C)cccc2)C	PC-id_42984358	382.522	HTPSMFBTWGBRNW-AQTBWJFISA-N	00000010100000100101000000001010000000000000000000000000	31-01-103416
CCNC(=NCc1nnc2n1CCCCC2)N1CCS(=O)(=O)C(C1)(C)C	PC-id_109702473	382.524	KGTCUUKYUQHVJI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-103417
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCS(=O)(=O)C1	PC-id_111142890	382.524	GZABFMXLQGZFPY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-103418
CN=C(N1CCS(=O)(=O)C(C1)(C)C)NCCc1nnc2n1CCCCC2	PC-id_109702507	382.524	UCCJKDPJFOUITF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-103419
c12CN(CCCn1nc(CN(C)Cc1ccc3c(nsn3)c1)c2)CC=CC	PC-id_72077621,MCULE-7516613128	382.526	WWRPEBQEHXPURV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103420
C/C=C/CN1CCCn2nc(CN(C)Cc3ccc4nsnc4c3)cc2C1	ZINC22_72143586,PC-id_56891132,EMOLS-id_44856240	382.526	WWRPEBQEHXPURV-ONEGZZNKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103421
CC(c1ccc2-c1ccccc2)NCCCCCc1cccn1c1ccccc1	SCHEMBL3853023,PC-id_68814166	382.54	WIOFUFKOAIVCHQ-UHFFFAOYSA-N	00000010110000110110100000000010000000000000000000000000	31-01-103422
c1(NC(=S)NCC2CCCO2)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC21421,MCULE-4417941115,PC-id_19653615,SPECS-id_AO-476/43414184,EMOLS-id_5317474	382.541	PAQBEQRMBAXKOS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-103423
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCOCC1	TIMTEC503081,PC-id_3275854,MCULE-2644372520,EMOLS-id_4060371,CoCoCo_6799958,ZINC22_5979970	382.541	VKXFRXLBQCTGRK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-103424
CCOC(=O)c1c(NC(=S)NC[C@H]2CCCO2)sc2c1CCCCC2	PC-id_40655577,CoCoCo_6964412,ZINC22_6955811	382.541	PAQBEQRMBAXKOS-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-103425
CCOC(=O)c1c(NC(=S)NC[C@@H]2CCCO2)sc2c1CCCCC2	ZINC22_6955801,PC-id_40655576,CoCoCo_6964411	382.541	PAQBEQRMBAXKOS-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-103426
O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)N1CCCS1(=O)=O	EMOLS-id_101671259	382.541	PYUHWSMPWSLUJP-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-103427
O=C(c1cc2c(s1)CCCCC2)N1CCN(CC1)C1CCS(=O)(=O)C1	EMOLS-id_13554419,PC-id_17474987,MCULE-7741736359	382.541	NLWWVXFELUXJOM-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-103428
O=C(c1cc2c(s1)CCCCC2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	CoCoCo_4092490,ZINC22_24082892,PC-id_9500650	382.541	NLWWVXFELUXJOM-HNNXBMFYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-103429
O=C(c1cc2c(s1)CCCCC2)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	PC-id_9500648,CoCoCo_4092489,ZINC22_24082889	382.541	NLWWVXFELUXJOM-OAHLLOKOSA-N	00000010100010000101100000000010000000000000000000000000	31-01-103430
s1c2c(CCCCC2)c(c1NC(=S)N1CC(OC(C1)C)C)C(=O)OC	PC-id_19654302	382.541	WIJXISVCUGPZKD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-103431
s1c2c(CCCCC2)c(c1NC(=S)NC(C1OCCC1)C)C(=O)OC	PC-id_19675949	382.541	SWYJQKUUMOGZOO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-103432
s1c2c(CCCCCC2)c(c1NC(=S)NCC1OCCC1)C(=O)OC	PC-id_19653612	382.541	UGIYSGVBKUKVNM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-103433
Cc1ccc(cc1)Cn1ccsc1=NC(=O)c1cc2c(s1)CCCCC2	MCULE-9155427720,EMOLS-id_26059284	382.542	YTVKABCIQNDGCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103434
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccccc1C)C	PC-id_111286923	382.546	APTVBPMOTPHGMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103455
Cc1ccc(Cn2ccs/c/2=N/C(=O)c2cc3c(s2)CCCCC3)cc1	PC-id_2545616,CHEMBL4552955,CoCoCo_3187018	382.542	YTVKABCIQNDGCK-QURGRASLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103435
Cc1ccc(Cn2ccs/c/2=NC(=O)c2cc3c(s2)CCCCC3)cc1	ZINC22_16044272,CoCoCo_3187019	382.542	YTVKABCIQNDGCK-DQRAZIAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103436
CCCCC(c1nn2c(c1)NCCCC2)c1ccc(cc1)CN1CCOCC1	PC-id_142202757	382.542	MWKJQICQNGYBCY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103437
CC(C)CCNC(=O)c1cnc2n1CCN(CC2)Cc1ccc(cc1)C(C)C	PC-id_134805527	382.542	UYQIEQRJGMAXOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103438
O=C(Cn1cc2c(n1)CCCCC2)NCCCN(C(C)C)Cc1ccccc1	CoCoCo_2192313,MCULE-9188291716,PC-id_20892472,CoCoCo_2192312,EMOLS-id_16087289	382.542	HMRMBYHSKYBWDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103439
s1c2CCCCCc2cc1C(=O)Nc1scc(n1)c1cc(c(cc1)C)C	PC-id_7915524	382.542	XLGYOVYYNKVUHC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103440
s1c2CCCCCc2cc1C(=O)Nc1scc(n1)c1c(ccc(c1)C)C	PC-id_7921839	382.542	UHASMRDJDGKOLR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103441
s1c2c(CCCCC2)c(c1NC(=S)NN1CCN(CC1)C)C(=O)OC	PC-id_19653778	382.544	YWXXWDKOKGMVMZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-103442
c12CN(CCC)CCCn1nc(CNC1CCN(CC1)Cc1ccccn1)c2	PC-id_70729399,ZINC22_82106635,EMOLS-id_44432139,MCULE-8152494257	382.546	QSIMIAQHKGEWIN-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103443
CCc1ccc(cc1)C(CNC(=NC)NCc1nnc2n1CCCCC2)(C)C	PC-id_109465032	382.546	DGKBPLSAMMMVKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103444
CCc1ccc(cc1)CN(C(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111283409	382.546	PGHNPFWUSCEPQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103445
CCc1ccc(cc1)C(NC(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111321758	382.546	RUOAJTCKLJRGLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103446
CCCCNC(=NCc1ccc(cc1)C)NCCc1nnc2n1CCCCC2	PC-id_111039191	382.546	DBPKWDGHXTYCID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103447
CCNC(=NCc1ccccc1CC)NCCCc1nnc2n1CCCCC2	PC-id_111636417	382.546	CCDJBJJOGMPMAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103448
CCNC(=NCc1ccc(cc1C)C)NCCCc1nnc2n1CCCCC2	PC-id_111938061	382.546	WBZAFPBDWJDLKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103449
CCNC(=NCC(c1ccc(cc1)C)C)NCCc1nnc2n1CCCCC2	PC-id_111621926	382.546	HQXOVVRGSZUJSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103450
CCNC(=NCC(c1cccc(c1)C)C)NCCc1nnc2n1CCCCC2	PC-id_111659144	382.546	NPFZFNASCZIUPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103451
CCNC(=NCC(c1ccccc1)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111948417	382.546	CTQOXIPPPQMHMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103452
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1cc(C)cc(c1)C	PC-id_111648886	382.546	KZTBCIYUIQWAIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103453
CCNC(=NCCCc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111199076	382.546	GYEZYZCLVSWZNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103454
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)C)C	PC-id_111289249	382.546	MXTFLGBAEFPHMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103456
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1ccccc1C)C	PC-id_111322004	382.546	FLJFATDHJIEJLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103457
CN=C(NC(c1ccc(cc1)CC(C)C)C)NCc1nnc2n1CCCCC2	PC-id_111298631	382.546	XLIFEFKGDCNKLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103458
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccc(cc1)C(C)(C)C	PC-id_111892037	382.546	BDLZEHWIXCBRRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103459
CN=C(NCc1nnc2n1CCCCC2)NCCCc1ccc(cc1)C(C)C	PC-id_111549199	382.546	RADOMRBMHXBVRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103460
CN=C(NCC(c1ccccc1)(CC)CC)NCc1nnc2n1CCCCC2	PC-id_111694246	382.546	BFFDZHAMGOIHCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103461
CN=C(NCC(c1ccc(cc1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_111622444	382.546	NPJZGFOXDCLYBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103462
CN=C(NCC(c1cccc(c1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_111659763	382.546	CPIIMRVMAKERLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103463
CN=C(NCC(c1ccccc1)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111948051	382.546	OVLUAFYXXMBZFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103464
CN=C(NC(C(c1ccccc1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_112075350	382.546	XYRIYMCDMDNOCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103465
CN=C(NCCc1cc(C)cc(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_111649396	382.546	WUKQOCCOOFFYBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103466
CN=C(NC(CCc1ccccc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111172239	382.546	UDVURKFUCIKQQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103467
FC1(F)CC(C1)CCc1nc2c(s1)CCN(CC2)CCC1CCCCC1	PC-id_145452123	382.554	CSLFZIXWMBIWSK-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-103468
CCCn1c(C)c(c2c1CCCCC2)C(=O)c1cc2c(n1CCC)scc2	PC-id_53357906,SCHEMBL12443720	382.562	SLQUZULHLZXMTD-UHFFFAOYSA-N	00000000100000000100000100000010000000000000000000000000	31-01-103469
S(c1n2CCCCCc2nn1)CC(=O)NCCSCc1sccc1	PC-id_8941845	382.567	BIOHMFIJOMLFNU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-103470
S=c1n(nc2n1CCCCC2)C[NH+]1CC[NH+](CC1)CC(=O)NC(C)(C)C	PC-id_9245114	382.567	XYHNPLGMPQBXLD-UHFFFAOYSA-P	00000000100010000101000000000010000000000000000000000000	31-01-103471
O(C(=O)CCCCCCCCCCc1c2-c(c(cc2)C)cc(C(C)C)cc1)C	PC-id_85603954	382.579	JASPWQSSOYYMBV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-103472
CCCCC(=N/C/1=C(/C/C=Cc2c(C/C=C1)oc(n2)CCCC)C(CC)C)C	PC-id_144677324	382.582	MOPLKRWWXWXLQN-BZFHNNABSA-N	00000000100000000111000000000010000000000000000000000000	31-01-103473
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCCC)C(=O)OC	PC-id_19650898	382.584	HVWYHQOBXXJVHC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103474
s1c2c(CCCCC2)c(c1NC(=S)NC(CCCCC)C)C(=O)OC	PC-id_19650986	382.584	YMCGRIBZFWMGQX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103475
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCC)C(=O)OCC	PC-id_19650820	382.584	DYHCLBRLAOGLJZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103476
s1c2c(CCCCC2)c(c1NC(=S)N(CCC)CCC)C(=O)OCC	PC-id_19653050	382.584	HOZBCMHDHCEAGI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103477
s1c2c(CCCCC2)c(c1NC(=S)NC(C(C)(C)C)C)C(=O)OCC	PC-id_19676419	382.584	KRDZZELEHOEWDF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103478
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCC)C(=O)OC	PC-id_19650815	382.584	TYNISCDSVFAOPA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103479
s1c2c(CCCCCC2)c(c1NC(=S)N(CCC)CCC)C(=O)OC	PC-id_19653046	382.584	ZSIFLHSDSSOXPD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103480
s1c2c(CCCCCC2)c(c1NC(=S)NC(C(C)(C)C)C)C(=O)OC	PC-id_19676412	382.584	LJXLTLBMXYDEBU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103481
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCC)C(=O)OCC	PC-id_19650745	382.584	PUGDLDSGPJIJQM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103482
s1c2c(CCCCCC2)c(c1NC(=S)NCCC(C)C)C(=O)OCC	PC-id_19652209	382.584	DVCCQEDXXLZVFS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103483
s1c2c(CCCCCC2)c(c1NC(=S)NC(CCC)C)C(=O)OCC	PC-id_19652362	382.584	AZYRNJDMCNLLIB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103484
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC)(C)C)C(=O)OCC	PC-id_19652837	382.584	ASORCLIWWFERMH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103485
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC)CC)C(=O)OCC	PC-id_19652911	382.584	BWVWVDDIOKJXNT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103486
S=C(c1cc(c2-c1ccccc2)C(=S)N1CCCCC1)N1CCCCC1	PC-id_139161755	382.585	FUUBFUZPBGJJNB-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-103487
CCCCCCCCCCCCCCCc1ccc2-c1c(OC)ccc(c2)C	SCHEMBL9875998,PC-id_19815719	382.622	WOHUANLFHYIASN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-103488
c12c(=O)[nH]c(nc(=O)c1n(cn2)CCn1cccc1)Nc1ccc(cc1)Cl	ZINC22_19851376,CoCoCo_1495117,EMOLS-id_23826311,PC-id_28406015,MCULE-9785575629	382.804	DZAYROGKRPJDBJ-UHFFFAOYSA-N	00000000110000110111000000000010000000000000000000000000	31-01-103489
C1CN(CCc2c1nc(o2)C(=O)Nc1ccc(cc1)Cl)Cc1ccncc1	PC-id_134809289	382.843	RSNFVXDHECHZIF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-103490
Clc1cc(C=C(c2n3CCCCCc3nn2)C#N)cc(OC)c1OCC#C	PC-id_78650371	382.843	PSRRUOYAMSQCRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103491
Clc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc(OC)c1OCC#C	PC-id_8275456	382.843	PSRRUOYAMSQCRM-XNTDXEJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103492
O=C(C1CCn2c(CC1)nnc2)Nc1ccccc1Oc1ccccc1Cl	EMOLS-id_316685545	382.843	SQKALPNUTGOOCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103493
CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948607	382.865	MARXOINTBSMXHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103494
Clc1ccc(cc1)S(=O)(=O)CCNC(=O)C1CCn2c(CC1)nnc2	MCULE-3853837527,EMOLS-id_320187317	382.865	XBJFDCVOZABFLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103495
Clc1ccc(S(=O)(=O)CC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24676712	382.865	HNYAFRVNVGKASO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103496
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccccc3Cl)cc2C1	MCULE-4794311071,EMOLS-id_44434359,ZINC22_82108318,PC-id_70735593	382.865	DKPIMLFHKALFEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103497
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccc(Cl)cc3)cc2C1	MCULE-8304925227,ZINC22_91444481,EMOLS-id_46040271,PC-id_72858689	382.865	CBNOIGHPZJLENT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103498
Clc1c(CN(C(=O)CSc2n3CCCCCc3nn2)C)c(F)ccc1	PC-id_32480455	382.883	QHCGEQQKNMLWHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103499
Clc1sc(C(=O)N2Cc3n(nc(CN4CC(F)CC4)c3)CCC2)cc1	PC-id_76437511	382.883	DUCQAPBIQUYKNF-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-103500
Clc1sc(C(=O)N2Cc3n(nc(CN4C[C@@H](F)CC4)c3)CCC2)cc1	PC-id_56905727,EMOLS-id_43146886,MCULE-6210621369	382.883	DUCQAPBIQUYKNF-LBPRGKRZSA-N	00000010100100000101000000000010000000000000000000000000	31-01-103501
Brc1sc(Br)c2OCC(Cl)(Cl)COc12	SCHEMBL14748900,PC-id_71287057	382.884	SEAUNUNNMPLYMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103502
n12CCN(CCc1nnc2CCc1ccccc1)Cc1ccc(c(Cl)c1)O	CoCoCo_1151625,CoCoCo_1151626,EMOLS-id_24851903,ZINC22_23145541,MCULE-2992034260,PC-id_30869242	382.887	HUTWKPFSSHLAFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103503
n12CCN(CCc1nnc2CCc1ccccc1)Cc1cc(Cl)ccc1O	CoCoCo_1526615,PC-id_42398409,EMOLS-id_20671547,ChEMBL-DNDi_CHEMBL71615496,MCULE-4951565479,ZINC22_12079650,CoCoCo_1526614	382.887	NKUMCSPTKWGCEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103504
Clc1cc(ccc1S(=O)(=O)N)CN1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_318336663	382.908	NYIHXPQAVYUIDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103505
CN=C(NCc1nnc2n1CCCCC2)NCC(c1ccc(s1)Cl)O	PC-id_119142112	382.911	SLKDKOWOCIKSIH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-103506
ClCCCN1C(=N/C(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)/C1=O)C	PC-id_139476352,SCHEMBL21342946	382.926	ILLMZKVUVQOBNL-BKUYFWCQSA-N	00000011100000000111000000000010000000000000000000000000	31-01-103507
Clc1sc(CCC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_55771503	382.928	MREUZKIALKAXEO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-103508
Brc1c2CCN(CCc2sc1Br)C(=O)OCC	SCHEMBL1180375,PC-id_58256124	383.099	QVJYTUSZNGTJDX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-103509
CCOC(=O)CN1C=NC2=C(N=C(C(=C)C=C21)Cl)NC3=CC=CC=C3C=N	PC-id_155119785	383.115	PBHINNRDIUOMQN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-103510
CC1=C2C(=C(S1)C)OCC(CO2)(C)COC3=CN=NN3CCOCCO	PC-id_154586888	383.151	LLHCYJBLMAPICZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103511
C1CCCC2=C(CC1)C=C(S2)NC(=O)CC3(CC4=CC=CC=C4C3)C(=O)O	PC-id_164900193	383.156	GJNJPTSCFIIPFR-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-103512
CCOC(=O)c1c2-c(c(c1NC(=O)C)I)ccccc2	PC-id_101582108	383.181	TUNKTPAUMNXSFK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-103513
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(Br)cc1F	CoCoCo_4447316,EMOLS-id_24130527,ZINC22_11049189,MCULE-5566236668,PC-id_41793717	383.216	FYRQRSSUFANWHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103514
O=C(Nc1cc(Br)c(cc1C)F)NC1CCn2c(CC1)nnn2	EMOLS-id_101999868	383.219	ZBCMMQSMBLHYOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103515
O=C(Nc1ccc(c(c1F)C)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102003495	383.219	DTBGGODPYNCZPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103516
O=C(Nc1cc(C)c(cc1F)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102014671	383.219	NVTYZIZMNMEERS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103517
O=C(Nc1cc(C)c(c(c1)F)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102027899	383.219	RUZSJFRLULZQHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103518
O=C(Nc1cc(F)c(cc1C)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102022633	383.219	RMWPSGZGFNUBPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103519
C1CN(Cc2cc(cn2C1)C(=O)O)C(=O)OCc1cc(cc(c1)Cl)Cl	PC-id_86345593,SCHEMBL16099892	383.226	NUXPQGCKGZANGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103520
c12C(=O)NCC(O)Cn1nc(C(=O)NCCc1ccc(cc1Cl)Cl)c2	EMOLS-id_82744233,PC-id_119075127,MCULE-7350984402	383.229	MQLVBBSPVFLSJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103521
C1CN(Cc2cc(nn2C1)C(=O)N)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16093662,PC-id_86345558	383.229	OMLYUAAYQPANIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103522
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)NCc1cc(cc(c1)Cl)Cl	PC-id_86346109,SCHEMBL16100467	383.229	WGKUAURSXBLUFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103523
Cc1cc(cc(c1CNC(=O)c1nn2CC(CNC(=O)c2c1)O)Cl)Cl	PC-id_135097729	383.229	PWUCEWYOMYEIEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103524
O=C(NCCc1ccc(Cl)cc1Cl)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426746099	383.229	MQLVBBSPVFLSJG-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103525
O=C(NCCc1ccc(Cl)cc1Cl)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426746100	383.229	MQLVBBSPVFLSJG-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-103526
CN1C[C@H]([C@@H](C1)O)CC(=O)NC2=NN3CCCN(CC3=C2)CC4=CC=CC=C4	PC-id_154802848	383.232	PTBZWSXGOIPHEM-IEBWSBKVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103527
BrCc1c(c2-c(c1C(=O)OC)ccccc2)C(=O)c1ccccc1	PC-id_11463220	383.235	AOKXRWZWXJLZTM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-103528
Brc1cn2c(/C=C(c3n4CCCCCc4nn3)/C#N)cnc2cc1	PC-id_60332173	383.245	UQHIISRGSRWVGF-WQLSENKSSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103529
Brc1cn2c(C=C(c3n4CCCCCc4nn3)C#N)cnc2cc1	PC-id_72693772	383.245	UQHIISRGSRWVGF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103530
CC(CS(=O)(=O)N1CCCc2c(C1)c(I)n[nH]2)C	SCHEMBL16123849,PC-id_117611738	383.249	DKRGGGASSFOQRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103531
Brc1occ(c1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-5969920987,PC-id_37722407,EMOLS-id_33345188	383.26	VYYWVYOXBVHPMD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-103532
Brc1oc(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_31845833	383.26	GQOHEJKEWCDBEE-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-103533
c1(NC(=O)c2ccc(Br)o2)sc2c(CCCCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL6104838,EMOLS-id_1116902,CoCoCo_740052,PC-id_1221807,TIMTEC484186,SPECS-id_AK-968/12163749,ZINC22_997331,MCULE-9008180306	383.26	UPRRPAMTHHGXRJ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-103534
Clc1c(OC(C(=O)NCc2n3CCCCCc3nn2)C)ccc(Cl)c1	PC-id_51266216	383.272	QDEYZVVHICDCFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103535
Clc1c(OCC(=O)NCCc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_51307421	383.272	XJQDSENURODWTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103536
Brc1c(C(=O)Nc2sc3CCCCCCc3n2)cc(F)cc1	PC-id_56022369	383.278	SZEVNMXMMRSFGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103537
s1c2c(CCCCCC2)c(c1NC(=O)CCCCCCCCCC)C(=O)OC	PC-id_4158920	407.61	DWMACPAHZJEDLX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118401
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)N	SPECS-id_AK-968/12265219,SCHEMBL8289840,PC-id_1222110,MCULE-1632764905,EMOLS-id_1776812,TIMTEC75018,ZINC22_997691,CoCoCo_907729	383.292	BHIMTEIQCZPICX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103538
c1(NC(=O)c2c(cccc2Cl)Cl)sc2c(CCCCC2)c1C(=O)N	ZINC22_5670356,PC-id_4176911,CoCoCo_6844809,TIMTEC46190,EMOLS-id_5357350,MCULE-4333266433	383.292	AKOLLNCOVGEHNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103539
c1(NC(=O)c2cc(Cl)ccc2Cl)sc2c(CCCCC2)c1C(=O)N	ZINC22_2736959,CoCoCo_683292,MCULE-7730625892,PC-id_2163426,EMOLS-id_1776060,ChEMBL-DNDi_CHEMBL5694659,TIMTEC346439	383.292	NYCUSZWQQJWVFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103540
c1(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_4948379,PC-id_4641540,MCULE-8635275656,ChEMBL-DNDi_CHEMBLF0806-0366,CoCoCo_5014625,ZINC22_4176860	383.292	PYRBKQCUWPTJPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103541
Clc1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1Cl	PC-id_43004224	383.292	BLALMUPWVCJXAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103542
Clc1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)ccc(Cl)c1	PC-id_46657160	383.292	GRDLBYNSWITHTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103543
Clc1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc(Cl)cc1	PC-id_45763445	383.292	OTCRGANBBIOYNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103544
NC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)sc2c1CCCCC2	PC-id_20166075,ZINC22_32125376	383.292	PFZCBJPAIOAFOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103545
NC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2	ZINC22_6329261,PC-id_5215688	383.292	LDVBMGNWBXSFIP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103546
Brc1c(C(=O)Nc2sc3CCCCCCc3n2)c(oc1C)C	PC-id_56022371	383.303	KSFPVALIZCJJSH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-103547
Brc1c([nH]nc1C(=O)Nc1sc2CCCCCc2n1)C(C)C	PC-id_56564201	383.307	YTMIWONPFGXFCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103548
CCC(c1nnc2n1CCCCC2)NC[C@@H](c1ccc(c(c1)Cl)Cl)O	MCULE-1728169326,EMOLS-id_319938062	383.315	AUDIDPTWEFVPIA-LYKKTTPLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103549
C1Cn2cc(cc2C(=O)N(C1)Cc1cc(ccc1)OC(F)(F)F)C(=O)NO	PC-id_87401192,SCHEMBL2526217	383.322	QOKXBLKHRVYXNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103550
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1ccc(cc1)C(F)(F)F	SCHEMBL16100043,PC-id_86345794	383.322	KCZWBSCSCBBJRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103551
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1cc(ccc1)C(F)(F)F	SCHEMBL16102231,PC-id_86346110	383.322	CHGWPIKLKYQJPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103552
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1nn2c(n1)CCC2C(F)(F)F	PC-id_140764635	383.328	SJPRSTHEEIRZBR-IENPIDJESA-N	00000010100000000101000010000010000000000000000000000000	31-01-103553
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1nn2c(n1)CC[C@H]2C(F)(F)F	SCHEMBL18366631	383.328	SJPRSTHEEIRZBR-IUCAKERBSA-N	00000010100000000101000010000010000000000000000000000000	31-01-103554
[se]1cc2OCC(Cc3ccccc3)(Cc3ccccc3)COc2c1	PC-id_59566435	383.342	XVDKHGTXUHZXAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103555
n1c(C(CO)O)cc2CN(CCCn12)C(=O)Cc1ccc(cc1)C(F)(F)F	MCULE-9872714883,EMOLS-id_50537307,PC-id_90650470	383.365	RBIINAWLDTVJLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103556
O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCn2nc([C@H](O)CO)cc2C1	PC-id_100058333,ZINC22_220419897	383.365	RBIINAWLDTVJLG-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103557
O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCn2nc([C@@H](O)CO)cc2C1	ZINC22_220419844,PC-id_100058332	383.365	RBIINAWLDTVJLG-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103558
O=C(c1cc(c[nH]c1=O)C(F)(F)F)NCCCc1nnc2n1CCCCC2	EMOLS-id_319768222	383.368	TZRYEMBIHTVNMP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-103559
O=C(C1CCn2c(CC1)nnc2)NCCc1ccc(nc1)OCC(F)(F)F	MCULE-2906551169,EMOLS-id_320198566	383.368	MUVLFALIYQMUQX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-103560
O=C(N1CCCc2c(C1)cnn2C)NCc1ccncc1OCC(F)(F)F	EMOLS-id_318217056	383.368	VULITUCBQKRBAP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-103561
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccc(nn1)C(F)(F)F	EMOLS-id_100034865	383.372	MCZGJXBVMATMDR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-103562
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1cnc(cc1)F)[N+](=O)[O-]	PC-id_89580057,SCHEMBL14965620	383.376	FHNWOHXQSOUGIY-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-103563
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1c(nccc1)F)[N+](=O)[O-]	PC-id_89580200,SCHEMBL14965823	383.376	BAEOJEMFOFNGKK-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-103564
C1Cn2cc(nc2OCCN1Cc1cccc(n1)c1cc(ccc1)F)[N+](=O)[O-]	SCHEMBL14965730,PC-id_89580129	383.376	HLEDFQBNWGPABQ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-103565
C1Cn2cc(nc2OCCN1Cc1cncc(c1)c1cc(ccc1)F)[N+](=O)[O-]	PC-id_89580235,SCHEMBL14965866	383.376	VOQLXAQFAMBRQH-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-103566
C1Cn2cc(nc2OCCN1Cc1cnc(cc1)c1cc(ccc1)F)[N+](=O)[O-]	SCHEMBL14965749,PC-id_89580146	383.376	FGTJAPDYSWXSCE-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-103567
C1Cn2cc(nc2OCCN1Cc1ncc(cc1)c1cc(ccc1)F)[N+](=O)[O-]	SCHEMBL14965410,PC-id_89579884	383.376	SRGIPYLVLHMMCA-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-103568
c1(c[nH]nc1c1cccc(F)c1)C(=O)N1CCCn2c(cc(n2)C(=O)OC)C1	PC-id_50966068,MCULE-8480331399,ZINC22_67883459,EMOLS-id_32402080	383.376	QBRCTUUWWCBGRM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103569
Fc1cc(c2nccc(CN3CCn4c(OCC3)nc([N+](=O)[O-])c4)c2)ccc1	PC-id_71570141,SCHEMBL14965683	383.376	ILLMUMPYXFPZES-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-103570
Cn1cnc(C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)n1	EMOLS-id_313762509,ZINC22_1565556762	383.38	UHJVHPGNCKUIDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103571
CN1C(=O)[C@H](CCn2c1ccn2)NC(=O)c1nnc([nH]1)Cc1ccc(cc1)F	SCHEMBL18372636	383.38	WQYFLILHMHDSKD-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103572
Fc1ccc(cc1)Cn1cnc(n1)C(=O)NC1CCn2c(N(C1=O)C)ccn2	SCHEMBL19659612	383.38	FJCSXOYQBPMKJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103573
Fc1ccc(cc1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18372504	383.38	FJCSXOYQBPMKJH-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103574
Fc1cccc(c1)NC(=O)N1CCc2n(CC1)c(nn2)COc1cncnc1	PC-id_97413588	383.38	AUZTTZNPQFJCKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103575
O=C1[C@@H](CCn2c(N1C)cnc2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367134	383.38	REENRGWKLJVFCP-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103576
s1c2c(CCCCCC2)c(c1NC(=O)CCCCCCCCC)C(=O)OCC	PC-id_4138847	407.61	KYAIYGOYCSXKQZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118402
O=C1[C@@H](CCn2c(N1C)ncc2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367137	383.38	JHTGCUZOYASHCZ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103577
O=C(N1CCc2n(CC1)c(nn2)COc1cncnc1)Nc1ccccc1F	PC-id_97405429	383.38	NYKLCCCUMHPNTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103578
c1(NC(=O)c2ccc(cc2)C(F)(F)F)sc2c(CCCCC2)c1C(=O)O	MCULE-9394151749,EMOLS-id_179129769,PC-id_28860524	383.385	JLQNYPDAXJXOPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103579
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(F)c(F)c(F)cc1	PC-id_7650062	383.385	IYEMVMAWRUVMKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103580
COC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(NCC(F)(F)F)C	PC-id_140762665	383.387	ZXSYKUKVJTYTEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103581
Fc1ccc(cc1)C(=O)N1CCCn2c(C1)cc(n2)OCc1cccc(c1)F	SCHEMBL16309436,PC-id_117751850	383.391	IHTMEUMGVYKXLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103582
n1c(C(CO)O)cc2CN(CCCn12)C(=O)c1ccc(Oc2ccccc2)o1	PC-id_90650493,MCULE-4915678590,EMOLS-id_50537403	383.398	IEHNKQRZXFNTAI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103583
O=C(c1ccc(Oc2ccccc2)o1)N1CCCn2nc([C@@H](O)CO)cc2C1	PC-id_100058727,ZINC22_220441360	383.398	IEHNKQRZXFNTAI-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103584
O=C(c1ccc(Oc2ccccc2)o1)N1CCCn2nc([C@H](O)CO)cc2C1	PC-id_100058729,ZINC22_220441426	383.398	IEHNKQRZXFNTAI-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103585
c12c(C)noc1nc(C)cc2C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	EMOLS-id_43134980,PC-id_56901680,ZINC22_72437951,MCULE-2258557461	383.401	UBZGTFMSFCUPHN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103586
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(Cn2cccn2)o1	ZINC22_95385420,EMOLS-id_46642868,MCULE-7517871632,PC-id_72923241	383.401	YZGSQTSYKCHKET-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-103587
c1(C(=O)N)cn2c(CCN(CC2)C(=O)C2CC(=O)N(c3cccc(O)c3)C2)n1	EMOLS-id_331117367,MCULE-6193612516	383.401	JHIYSGHGXVEFNQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103588
c1(C(=O)OC)cc2n(CCCN(C(=O)CCn3c4ccccc4[nH]c3=O)C2)n1	EMOLS-id_32387352,MCULE-2123929056,PC-id_50958262,ZINC22_67714151	383.401	PTHDBBCEUZPJNA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103589
c1([nH]nc(c2ccc(C)o2)c1)C(=O)N1CCCn2nc(CCC(=O)O)cc2C1	ZINC22_91986538,PC-id_72926908,MCULE-9433986540,EMOLS-id_46089819	383.401	FOWFLUQALAWREX-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-103590
Cc1c(c(no1)C(=O)N1CCc2nn(c(=O)n2CC1)C)COc1ccccc1	PC-id_91922404	383.401	OBMHURVQIRGFDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103591
Cc1c(c(no1)C(=O)NC1CCc2n[nH]c(=O)n2CC1)COc1ccccc1	PC-id_91922662	383.401	GEWNWXOHDBGLLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103592
Cc1onc(c1c1cccc(c1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-])C	PC-id_145578212	383.401	KVBOEQANNVRWDA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103593
CN(Cc1nnc2n1CCOCC2)C(=O)CCN1C(=O)c2ccccc2C1=O	EMOLS-id_320335556,ZINC22_1615551443,MCULE-1068393257	383.401	XJAPFSBTDRHXEB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103594
n12CCN(CCc1nn(CC1CC1)c2=O)C(=O)Cn1c2ccccc2oc1=O	EMOLS-id_50590041,MCULE-9415707521,PC-id_91910677	383.401	KFLGYEZEGPPSSJ-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-103595
NC(=O)c1cn2c(n1)CCN(C(=O)[C@@H]1CC(=O)N(c3cccc(O)c3)C1)CC2	ZINC22_1875250524	383.401	JHIYSGHGXVEFNQ-GFCCVEGCSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103596
NC(=O)c1cn2c(n1)CCN(C(=O)[C@H]1CC(=O)N(c3cccc(O)c3)C1)CC2	ZINC22_1875250525	383.401	JHIYSGHGXVEFNQ-LBPRGKRZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103597
O=C(N1CCCn2nc(cc2C1)C(=O)OC)C1NNC(=C2C(=O)C=CC=C2)C1	PC-id_75590728	383.401	VSNAIEZOWOFVAX-UHFFFAOYSA-N	00000010100011000101100000000010000000000000000000000000	31-01-103598
c12CN(CCCn1nc(CNC(=O)c1ccc3c(non3)c1)c2)C(=O)N(C)C	MCULE-8361603760,ZINC22_82087847,EMOLS-id_44425243,PC-id_70709852	383.404	MEBFXMCDFILTRX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103599
c1(C(=O)NCc2n[nH]c(=O)[nH]2)cn2c(CCN(Cc3cccc(O)c3)CC2)n1	EMOLS-id_336521915,ZINC22_1940197316,MCULE-1935504357	383.404	HHTBAJFQDQFVBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103600
C[C@@H](NC(=O)NCc1nnc2n1CCOCC2)c1noc(c2ccccc2)n1	ZINC22_1615588617	383.404	CKKQIQSPBPOJKM-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103601
C[C@H](NC(=O)NCc1nnc2n1CCOCC2)c1noc(c2ccccc2)n1	ZINC22_1615588634	383.404	CKKQIQSPBPOJKM-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103602
O=C(Cn1nc2n(c1=O)CCCCC2)NCC(=O)Nc1ccc2cn[nH]c2c1	EMOLS-id_43405255,ZINC22_79019805,MCULE-9762730078,PC-id_72104249	383.404	SGAJRVDPPQNSPF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103603
O=C(NC(c1noc(n1)c1ccccc1)C)NCc1nnc2n1CCOCC2	EMOLS-id_316748213,MCULE-5171848788	383.404	CKKQIQSPBPOJKM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103604
CN(C)C(=O)N1CCCn2nc(CNC(=O)c3ccc4nnnn4c3)cc2C1	MCULE-3530151088,ZINC22_92078565,EMOLS-id_46098879,PC-id_72939270	383.408	HNNCEYFDOYXBQU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103605
BrC(c1sc2c(CCCCC2)c1)c1sc(C(C)(C)C)cc1	PC-id_81634632	383.409	VDWZZCNTRHDFDO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-103606
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCc1c(nn(c1)CC)C	PC-id_19523646	383.411	WYDWEZGNFDTNFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103607
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCc1c(n(nc1)CC)C	PC-id_19523654	383.411	NOAOYSCEKVGDCK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103608
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(c1n(ncc1)CC)C	PC-id_19523821	383.411	STVAVXBXIPMEAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103609
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(c1nn(cc1)CC)C	PC-id_19523860	383.411	HNIFDHYEZMHLKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103610
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N(Cc1nn(cc1)CC)C	PC-id_19531186	383.411	UJOXWTNRWSPINA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103611
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N(Cc1n(ncc1)CC)C	PC-id_19531189	383.411	VWLQMCRNMCSQFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103612
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCCn1nccc1C	PC-id_19523774	383.411	FPBKMVPEOVIVPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103613
CC1CCc2c(S(=O)(=O)N1)c(n(c2C(=O)Nc1ccc(c(c1)F)F)C)C	PC-id_140762604	383.413	GDHNWEUOGNPHOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103614
CC1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)NC1(C)C=CC(=C(C1)F)F)C	PC-id_139471083,SCHEMBL21337078	383.413	UUCRGHNWIZJERZ-UHFFFAOYSA-N	00000000100011000111000000000010000000000000000000000000	31-01-103615
CC(C1COc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)C	SCHEMBL21336999,PC-id_139471004	383.413	RARCLTVVRHWGDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103616
CCC(C1COc2c(SN1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	PC-id_139471056,SCHEMBL21337052	383.413	NMEZUKAWKMKUDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103617
C[C@H]1CCc2c(S(=O)(=O)N1)c(n(c2C(=O)Nc1ccc(c(c1)F)F)C)C	SCHEMBL18352844	383.413	GDHNWEUOGNPHOD-VIFPVBQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-103618
Cc1ccc(o1)CN1CCc2c(CC1)oc(n2)C(=O)NCc1cc(ccc1)F	PC-id_134805214	383.416	CZEFYLABKKNOBQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103619
CCO[C@H](CN(c1ccc2-c(cc1)nc(n2)N)C=O)CNC(=S)C(F)F	PC-id_143554985	383.416	GHCKUKXWDZFMRO-NSHDSACASA-N	00000010100000000111000000000010000000000000000000000000	31-01-103620
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1cc(F)ccc1n1cccn1	MCULE-8738698120,ZINC22_72422804,EMOLS-id_43057904,PC-id_56882251	383.419	XSLWBCZWHGDKNV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103621
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1c[nH]nc1c1ccc(cc1)F	MCULE-2610040076,ZINC22_95367218,PC-id_72876739,EMOLS-id_46619174	383.419	ZULSVBCLEDPBES-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103622
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1cnn(c2cccc(F)c2)c1	PC-id_56888759,MCULE-1293985394,ZINC22_72409634,EMOLS-id_43084475	383.419	JMUAYPLLDJRGTI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103623
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3)F)CCn12	ChEMBL-DNDi_CHEMBL16291930,PC-id_45178012,MCULE-7555870536,EMOLS-id_20432825	383.419	ISOPQPQXCOYADN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103624
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(F)c3)CCn12	EMOLS-id_20523853,PC-id_45198895,MCULE-2812953514	383.419	MJZNPHGLDSSYIC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103625
c1(C(O)c2ccnn2C)cc2n(CCCN(C(=O)Cc3ccc(cc3)F)C2)n1	MCULE-9645322595,EMOLS-id_55644678,PC-id_91774797	383.419	MXBDGCJXQOKEEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103626
c1(C(=O)NC2CCCC=C2)cn2c(CCN(CC2)C(=O)c2cncc(F)c2)n1	EMOLS-id_331130635,MCULE-3128646931	383.419	QVRWYPANJAOCTB-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-103627
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(F)c1)CC2	ZINC22_12020583,CoCoCo_1305832,CoCoCo_1305831	383.419	MJZNPHGLDSSYIC-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103628
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(F)c1)CC2	ZINC22_12020586,CoCoCo_1305833,CoCoCo_1305834	383.419	MJZNPHGLDSSYIC-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103629
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2	CoCoCo_1176409,CoCoCo_1176408,PC-id_42328207,ZINC22_11977649	383.419	ISOPQPQXCOYADN-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103630
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2	CoCoCo_1176410,ZINC22_11977650,PC-id_42328209,CoCoCo_1176411	383.419	ISOPQPQXCOYADN-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103631
Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1ccc(F)cc1)C2	PC-id_100049571,ZINC22_219924715	383.419	MXBDGCJXQOKEEA-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103632
CCCCCCCCC1(CCCCCCCC)COc2c(OC1)c(sc2C)C	PC-id_20789372,SCHEMBL14280255	408.681	MWDWNCZYTXWQEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118904
Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1ccc(F)cc1)C2	ZINC22_219924687,PC-id_100049570	383.419	MXBDGCJXQOKEEA-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103633
CN(Cc1ccco1)Cc1cnc2CCN(CCn12)C(=O)c1ccnc(F)c1	ZINC22_585110610,EMOLS-id_313781959	383.419	HWEDTEMVUMETRH-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-103634
Fc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	CoCoCo_1286832,MCULE-8942075262,ZINC22_20776658,PC-id_29150513,CoCoCo_1286831,EMOLS-id_20510855	383.419	CQDGHYIZZJXTCP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103635
Fc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccoc3)CCn12	ZINC22_12024704,EMOLS-id_232737399,PC-id_42358812,MCULE-9893705132	383.419	LEGKFWPKVHPLHI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103636
Fc1ccc(/C=C/C(=O)N2CCc3nnc(CNC(=O)C4CC4)n3CC2)cc1	CoCoCo_1116868,ZINC22_11839235,CoCoCo_1116869,PC-id_42210793,EMOLS-id_25987323	383.419	JZOFFMIXOGMWEG-FPYGCLRLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-103637
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4ccoc4)CCn23)c1	MCULE-2550089484,CoCoCo_1543903,PC-id_25295994,CoCoCo_1543904,EMOLS-id_20682667,ZINC22_12457051	383.419	HOIUSKSCSGCNCJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103638
Fc1cccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1	MCULE-2928671359,PC-id_28133841,ZINC22_19300628,EMOLS-id_232751794	383.419	DQKFKWAZYRQEGQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103639
Fc1ccc(CN2CCn3c(nnc3CCNC(=O)c3ccoc3)CC2)cc1	PC-id_29211131	383.419	DNGAGIGFJAZQPU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103640
Fc1ccc(CN2CCn3c(nnc3CCNC(=O)c3occc3)CC2)cc1	PC-id_42364163	383.419	COTQVFOKXDAXJM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103641
Fc1cc(CN2CCn3c(nnc3CCNC(=O)c3occc3)CC2)ccc1	PC-id_28357468	383.419	BQFKTQGEQOWILQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103642
Fc1c(CN2CCn3c(nnc3CCNC(=O)c3occc3)CC2)cccc1	PC-id_29257755	383.419	FNACWYBLNGZFNF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-103643
n12CCN(CCc1nnc2CNC(=O)C1CC1)C(=O)C=Cc1ccc(cc1)F	PC-id_74781427,MCULE-5540254961	383.419	JZOFFMIXOGMWEG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-103644
N#Cc1ccc(c(c1)F)OC1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_318992719	383.419	MQVBPTHFLYQMQS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103645
O=C(CCc1ncc(c2ccccc2F)o1)NCc1nnc2n1CCCCC2	ZINC22_40043359,MCULE-7023678000,EMOLS-id_30244742,PC-id_45866985	383.419	SMGMLHXEUKTGKO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103646
O=C(N[C@H]1C=CCCC1)c1cn2c(n1)CCN(C(=O)c1cncc(F)c1)CC2	ZINC22_1875242285	383.419	QVRWYPANJAOCTB-INIZCTEOSA-N	00000000100011101101000000000010000000000000000000000000	31-01-103647
O=C(N[C@@H]1C=CCCC1)c1cn2c(n1)CCN(C(=O)c1cncc(F)c1)CC2	ZINC22_1875242286	383.419	QVRWYPANJAOCTB-MRXNPFEDSA-N	00000000100011101101000000000010000000000000000000000000	31-01-103648
Cc1nn(c2ccc(F)cc2)c(C)c1CNC(=O)[C@H]1CCCCn2nnnc12	ZINC22_826595199	383.423	NWYHGMRDLDXSGM-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103649
Cc1nn(c2ccc(F)cc2)c(C)c1CNC(=O)[C@@H]1CCCCn2nnnc12	ZINC22_826595200	383.423	NWYHGMRDLDXSGM-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103650
Cc1nn(c(C)c1CNC(=O)C1CCCCn2nnnc12)c1ccc(F)cc1	EMOLS-id_232890557,MCULE-7040924484	383.423	NWYHGMRDLDXSGM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103651
COCCNC(=O)c1cn2CCN(CCc2n1)S(=O)(=O)c1cnoc1C	MCULE-8915047414,EMOLS-id_331092276,ZINC22_1875249229	383.423	NFDNSQGFFBICAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103652
CS(=O)(=O)N1CCCn2nc(CNC(=O)CCc3cc(O)no3)cc2C1	PC-id_70768176,EMOLS-id_44445711,MCULE-2145096152,ZINC22_82138285	383.423	OGAUDKLBNSERFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103653
Fc1ccccc1Cn1cc(NC(=O)NCc2nnc3CCCCCn23)cn1	ZINC22_96142029,PC-id_72878139,MCULE-5444597233,EMOLS-id_49156452	383.423	RWWOYSNYMRCZMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103654
Fc1ccc(n2nc(nc2C)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51304527	383.423	NRYAGUOEMHQCOR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103655
c12C(=O)NCC(O)Cn1nc(C(=O)NCc1scc(c3ccccc3)n1)c2	EMOLS-id_55621588,MCULE-8486131283,PC-id_91831189	383.424	VHYUXIJKIFEKJM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103656
Cc1onc(c1)C(=O)N1CCc2c(CC1)nc(s2)C(=O)Nc1ccncc1	PC-id_97407240	383.424	NPQXPCAGWNFOEM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-103657
COc1cccc(c1)c1n[nH]c(c1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625270	383.424	FEVOGRSQMKEVFY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103658
COc1ccccc1c1n[nH]c(c1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625464	383.424	DVNQAKLBNKBREK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103659
O=C(NCc1nc(c2ccccc2)cs1)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_252504182	383.424	VHYUXIJKIFEKJM-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103660
O=C(NCc1nc(c2ccccc2)cs1)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_252504183	383.424	VHYUXIJKIFEKJM-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103661
ONC(=O)c1nn2c(c1)CN(CCC2)C(=O)c1ccc(s1)c1ccccn1	PC-id_53475967,SCHEMBL2524714	383.424	GPWIAOUWTFMWMC-UHFFFAOYSA-N	00000000100100101101100000000010000000000000000000000000	31-01-103662
Cc1nsc2c1NC(=O)[C@H](CN2)NC(=O)c1n[nH]c(n1)Cc1ccccc1	SCHEMBL19037413,PC-id_137213122	383.428	FFXFCMAVECITJB-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-103663
O=C(NCc1ccccc1)C1CN(Cc2ncnn2C1)C(=O)c1csnn1	EMOLS-id_313724887	383.428	CZPWAFSCSZREBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103664
O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2csnn2)Cc2ncnn2C1	ZINC22_1565545324	383.428	CZPWAFSCSZREBZ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103665
O=C(NCc1ccccc1)[C@H]1CN(C(=O)c2csnn2)Cc2ncnn2C1	ZINC22_1614927837	383.428	CZPWAFSCSZREBZ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103666
s1c2CCCCCc2cc1C(=O)NCC(O)c1c(cccc1)C(F)(F)F	PC-id_56136439	383.428	ZVBUDXFNMVADCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103667
CC(C)n1c(c2CC(NC(Cc2n1)(C)C)(C)C)OS(=O)(=O)C(F)(F)F	PC-id_86598395,SCHEMBL2075980	383.43	YJBOARFDEAXVKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103668
N#Cc1c(NC(=O)CN2CCC(=CC2)C(F)(F)F)sc2c1CCCCC2	EMOLS-id_98104017	383.431	ZHOYAYOWLWCNCT-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-103669
CCOC(=O)C1(CCCCn2c1ccc2C(=O)c1ccccc1)C(=O)OCC	PC-id_102048223	383.438	IFQUXUNGKIJQMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103670
COc1ccc(cc1)S(=O)(=O)N1C[C@H](O)c2c(C[C@@H]1C(=O)O)scc2	PC-id_139966476	383.439	RSKXPLYXXFVBBV-KGLIPLIRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103671
N#Cc1c(NC(=O)C2ON=C(C2)c2cccc(c2)F)sc2c1CCCCC2	MCULE-8384450843,EMOLS-id_44528850,PC-id_71896532	383.439	AQHRFBBTXCCIGC-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-103672
N#Cc1c(NC(=O)[C@@H]2CC(=NO2)c2cccc(F)c2)sc2c1CCCCC2	ZINC22_84372113,PC-id_97011342	383.439	AQHRFBBTXCCIGC-KRWDZBQOSA-N	00000011100000110101100000000010000000000000000000000000	31-01-103673
N#Cc1c(NC(=O)[C@H]2CC(=NO2)c2cccc(F)c2)sc2c1CCCCC2	ZINC22_84372116,PC-id_97011343	383.439	AQHRFBBTXCCIGC-QGZVFWFLSA-N	00000011100000110101100000000010000000000000000000000000	31-01-103674
S(=O)(=O)(N1C(Cc2sccc2C(O)C1)C(=O)O)c1ccc(OC)cc1	PC-id_54283437	383.439	RSKXPLYXXFVBBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103675
S(=O)(=O)(N1[C@@H](Cc2sccc2[C@H](O)C1)C(=O)O)c1ccc(OC)cc1	PC-id_57133654	383.439	RSKXPLYXXFVBBV-UONOGXRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103676
C1CN(CCc2c1nc(o2)C(=O)N1CCOCC1)Cc1cc2c(cc1)OCC2	PC-id_134808934	383.441	JUYZTQVVTGTAIS-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-103677
c1(C(=O)N2CCN(CC2)Cc2ccc3c(OCO3)c2)c2CCCCCc2on1	CoCoCo_2401397,EMOLS-id_16234801,PC-id_20923854,MCULE-5319971957	383.441	SQIHNFIVAVSSRT-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-103678
COc1ccc(cc1N1CCCCC1=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100932303	383.441	ACFILVSICANODO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103679
COC(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1)O)C(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_278435191	383.441	QAEXFCLRLRPYCW-DLBZAZTESA-N	00000010100000110101100000000010000000000000000000000000	31-01-103680
OC1CCN(CC1)C(=O)c1cccc(c1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101034088	383.441	DFTFGKBGNCWCMM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103681
COc1cc(c(cc1)OC)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625595	383.443	MPIZJMDBMXOFLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103682
COc1c(cc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2)OC	PC-id_90625591	383.443	KBDMXOCHXAHXNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103683
COc1cc(c(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2)OC	PC-id_90625655	383.443	WXWNYZCUJLVXHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103684
c12CN(CCCn1nc(CNC(=O)C1Cc3c(cccc3)O1)c2)C(=O)N(C)C	PC-id_70787078,MCULE-1330295332,EMOLS-id_44452253	383.444	XOTPQWOCYCPFBI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103685
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1)C(=O)C)c2)C(=O)N(C)C	MCULE-9802264710,PC-id_70720625,ZINC22_82097659,EMOLS-id_44429025	383.444	UTBPRMRJIDHIJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103686
c12CN(CCCn1nc(CNC(=O)c1cccnc1OC)c2)C(=O)C1CCC1	EMOLS-id_46089813,ZINC22_91986511,PC-id_72926903,MCULE-8460287833	383.444	CHFRDZPMJUVSTK-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-103687
c12CN(CCCn1nc(CNC(=O)c1ccc(=O)n(C)c1)c2)C(=O)C1CCC1	EMOLS-id_43602633,MCULE-6037497875,ZINC22_77536444,PC-id_70782783	383.444	UIBIRANKEXLGJA-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-103688
c12CN(CCCn1nc(CNC(=O)c1ccn(c(=O)c1)C)c2)C(=O)C1CCC1	MCULE-2050110556,ZINC22_77302394,EMOLS-id_43559111,PC-id_70712488	383.444	UMSZFEDQDCJZIR-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-103689
c12CN(CCCn1nc(CNC(=O)C(=O)c1cccn1C)c2)C(=O)C1CCC1	MCULE-8347496714,EMOLS-id_46034139,PC-id_72850129,ZINC22_91327072	383.444	DROKQHKGAKHMPX-UHFFFAOYSA-N	00001000110000000101000000000010000000000000000000000000	31-01-103690
c1(cn2c(CCNCC2)n1)C(=O)N1CCN(CC1)Cc1ccc2c(OCO2)c1	MCULE-1503601695,ZINC22_1857710169,EMOLS-id_330421972	383.444	KFVZVWWBJBXPHX-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-103691
c1(CN(C)C(=O)Nc2cccc(c2)N2CCOC2=O)c2CCCCCc2[nH]n1	PC-id_118784424,MCULE-7592469733,EMOLS-id_68919108,ZINC22_299783901	383.444	VMCLHIQTQJOGEA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103692
c1(C(=O)N2CCOCC2)cc2n(CCCN(C2)C(=O)N(C)c2ccccc2)n1	MCULE-4368919667,ZINC22_65395669,PC-id_50959677,EMOLS-id_32390086	383.444	WOTKEMPPCZCELI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103693
c1(C(=O)N[C@@H]2CCN(C[C@H]2O)C(=O)c2ccccc2)nnc2CCCCCn12	MCULE-2683403145,ZINC22_426525914,PC-id_121504563,EMOLS-id_177439141	383.444	KZWNLBKNRKJHJN-HZPDHXFCSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103694
CC[C@@]1(C)OCc2c1cc(nc2)C(=O)NC1CCn2ccnc2N(CC1=O)C	SCHEMBL19658901	383.444	KSZQWMPSZTUMJT-YQYDADCPSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103695
CCC1(C)OCc2c1cc(nc2)C(=O)NC1CCn2c(N(C1=O)C)c(nc2)C	PC-id_140764690	383.444	ORJMKBXUVFJXBD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103696
CC[C@@]1(C)OCc2c1cc(nc2)C(=O)NC1CCn2c(N(C1=O)C)c(nc2)C	SCHEMBL18366505	383.444	ORJMKBXUVFJXBD-YQYDADCPSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103697
CC[C@@]1(C)OCc2c1cc(nc2)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366518	383.444	YOVDSDDGUGYULE-MGPUTAFESA-N	00000010100000100101000000001010000000000000000000000000	31-01-103698
CCCNC(=O)CNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	EMOLS-id_25387704,PC-id_46049885,MCULE-1625055637	383.444	PDAJQBAHHPXMQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103699
CC(CNC(=O)C(=O)N1CCCn2c(C1)cc(n2)C(=O)Nc1ccccc1)C	EMOLS-id_32385550,MCULE-7873340602,PC-id_50957299	383.444	IGJQJPYNFNCKOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103700
CCN(C(=O)CNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_46049596,MCULE-9843238764,EMOLS-id_25388034	383.444	SCNPFMFEKVLMHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103701
CN1CCOC(C1=O)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_278779042	383.444	PASCZRQHAKDYNF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103702
CN(C1CCc2nnc(C)n2CC1)C(=O)c1ccc(Cc2c(C)noc2C)o1	MCULE-9566229344,EMOLS-id_50590452,PC-id_91910791	383.444	YYHQUMFECBFVLQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-103703
CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@@H]3Cc4ccccc4O3)cc2C1	PC-id_96582147,ZINC22_82166987	383.444	XOTPQWOCYCPFBI-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103704
CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@H]3Cc4ccccc4O3)cc2C1	ZINC22_82166989,PC-id_96582148	383.444	XOTPQWOCYCPFBI-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103705
COc1ccccc1C1=NOC(C1)(C)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_30450459,MCULE-4320004146,PC-id_46977682,SYN-22960375	383.444	SZYQREQWFJSNJZ-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-103706
COc1ccccc1C1=NO[C@@](C)(C(=O)NCc2nnc3n2CCCCC3)C1	PC-id_92613745,CoCoCo_507157,ZINC22_19661134	383.444	SZYQREQWFJSNJZ-HXUWFJFHSA-N	00000011100000110101100000000010000000000000000000000000	31-01-103707
COc1ccccc1C1=NO[C@](C)(C(=O)NCc2nnc3n2CCCCC3)C1	ZINC22_19661136,CoCoCo_507158,PC-id_92613746	383.444	SZYQREQWFJSNJZ-FQEVSTJZSA-N	00000011100000110101100000000010000000000000000000000000	31-01-103708
C(CCCCCCCCCC)CCCCCCc1c2-c(cc1)ccc(C(C)C)cc2	PC-id_19815784	408.702	UQXIMCIFBZUEOM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118905
COc1ccc(cc1)CN1CCC(C1=O)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319160847	383.444	NSPFGJVWXUQTHQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103709
COc1ccc(cc1N1CCCCC1=O)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320077188,MCULE-7113391155	383.444	HXQIJULKPRXUFV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103710
n1c(CN2CCN(C(=O)C2)Cc2ccc3c(OCO3)c2)cc2CNCCCn12	MCULE-7551686447,ZINC22_72150564,PC-id_56894407,EMOLS-id_43107885	383.444	HTRWQJLMDPGGED-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-103711
o1c2c(n(CCCC(=O)NCCc3n4CCCCCc4nn3)c1=O)cccc2	PC-id_51304478	383.444	PHRMKJCIFLTZDB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103712
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)NCC)Cc1ccccc1	PC-id_46049844	383.444	RYUWQESGPGILEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103713
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCC)C)Cc1ccccc1	PC-id_46049857	383.444	GLGRUFSYVZBYTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103714
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NC(C)C)Cc1ccccc1	PC-id_46049876	383.444	IWLZZQXZFYSDDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103715
O=C(c1ccc2c(c1)OCO2)N1CCCn2nnc(CN3CCCCC3)c2C1	PC-id_97519662,EMOLS-id_44370708,ZINC22_96259580	383.444	CBAZSCMHMKQYST-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-103716
O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2nnc3n2CCCCC3)CC1	MCULE-1052821283,EMOLS-id_44028314,ZINC22_32876339,CoCoCo_4492003,PC-id_40111167	383.444	SCXNNCHECWXHAR-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-103717
O=C(C1CCCN1C(=O)c1ccccc1O)NCc1nnc2n1CCCCC2	PC-id_87002474	383.444	RWTLWTHWNJXOII-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103718
O=C(C1CCn2c(CC1)nnc2)Nc1cc(ccc1C)C(=O)N1CCOCC1	EMOLS-id_316515980	383.444	SEFXBBDPFRBAOR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103719
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)OCC(=O)N1CCCC1	EMOLS-id_320098698,MCULE-6710128184	383.444	QXHZZFGNRVHKNW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103720
O=C(COc1cccc(N2CCCC2=O)c1)NCc1nnc2n1CCCCC2	ZINC22_48262189,PC-id_47014571,MCULE-4249726721,EMOLS-id_30662582	383.444	DKRLBKQDIDEAEG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103721
O=C(NCCc1n2CCCCCc2nn1)N(Cc1occc1)Cc1occc1	PC-id_52216039	383.444	RRCQWNHHFKFWAH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-103722
O=C(N[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1O)c1nnc2n1CCCCC2	ZINC22_1565515108	383.444	KZWNLBKNRKJHJN-HOTGVXAUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103723
C1CN(CCn2c1ncc2C(=O)NCCN1CCNC1=O)Cc1cnccc1	PC-id_134806508	383.447	NSCDIWBQAQQXDB-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-103724
c1(=O)n(C)c2c(cc(c(C)c2)NC(=O)NCc2nnc3CCCCCn23)n1C	PC-id_72873773,MCULE-1403156391,EMOLS-id_49154875,ZINC22_96141008	383.447	ASZNAAOYFWNBIL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103725
Cc1nc2ncccn2c1C(=O)N1CCCn2nc([C@H](O)CN(C)C)cc2C1	PC-id_100032142,ZINC22_219026409	383.447	HZXXYIXQYGFZDS-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103726
Cc1nc2ncccn2c1C(=O)N1CCCn2nc([C@@H](O)CN(C)C)cc2C1	ZINC22_219026327,PC-id_100032140	383.447	HZXXYIXQYGFZDS-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103727
C(CCCCCCCCCC)CCCCCCc1c2-c(cc1)cc(C(C)C)ccc2	PC-id_19996670	408.702	JKDRIACYCAKAFN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118906
CC(CC(c1nnc2n1CCNCC2)NC(=O)c1ccc2c(c1)[nH]c(=O)[nH]2)C	MCULE-6229721774,EMOLS-id_36434850,PC-id_56707572	383.447	AGBCLUQMJMDFDF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103728
N#Cc1nc(oc1N1CCC(CC1)C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_97994918	383.447	SMWDBCJNNUONSK-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-103729
NN(/C=C(/C(=O)NC1CCn2c(N(C1=O)C)c(nc2)C)N)Cc1ccccc1	SCHEMBL19658898	383.447	SZNMFMMHQSIZGA-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103730
O=C(Nc1cccc(c1C)C(=O)N1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102016282	383.447	UOQYFFGDDAVQNU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103731
O=C(Nc1cccc(c1C(=O)N1CCCC1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102005211	383.447	IRMOJPWQDANHIX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103732
O=C(Nc1cccc(c1)C(=O)N1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102010407	383.447	NDAGLAKFRRLGQD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103733
O=C(Nc1ccccc1C(=O)N1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102029528	383.447	WWNAEBWXQVBFIZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103734
O=C(NC(C(=O)N1C(C)Cc2c1cccc2)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102182973	383.447	QXJVYPSGBPQFHG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103735
c1(C(O)c2ccnn2C)cc2n(CCCN(C2)C(=O)Cn2c(C)cc(C)n2)n1	PC-id_91789022,MCULE-5871803827,EMOLS-id_55685895	383.448	LFPGXSXVTATRMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103736
Cc1cc(C)n(CC(=O)N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)n1	ZINC22_223029017,PC-id_100181522	383.448	LFPGXSXVTATRMM-LJQANCHMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103737
Cc1cc(C)n(CC(=O)N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)n1	ZINC22_223029079,PC-id_100181531	383.448	LFPGXSXVTATRMM-IBGZPJMESA-N	00000000100000000101000000000010000000000000000000000000	31-01-103738
Cc1c(n2cccnc2n1)C(=O)N1CCCn2c(cc(n2)C(CN(C)C)O)C1	MCULE-9304279171,PC-id_90648483,EMOLS-id_50529985	383.448	HZXXYIXQYGFZDS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103739
CC(C[C@@H](c1nnc2n1CCNCC2)NC(=O)c1ccc2c(c1)[nH]c(=O)[nH]2)C	PC-id_95206201	383.448	AGBCLUQMJMDFDF-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103740
CC(C[C@H](c1nnc2n1CCNCC2)NC(=O)c1ccc2c(c1)[nH]c(=O)[nH]2)C	PC-id_95206202	383.448	AGBCLUQMJMDFDF-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103741
CN(CCO)Cc1cc2CN(CCCn2n1)C(=O)Cn1nc2ccccc2n1	EMOLS-id_43060966,MCULE-2872817599,PC-id_56883011,ZINC22_72433780	383.448	FBMHDCZIUJVKHQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103742
CN(C(=O)C1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2)c1ccccc1	EMOLS-id_102169033	383.448	TZCJSGBHYMVFFY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103743
O=C(C1CCCN(C1)C(=O)Nc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102168190	383.448	NSACOACNPFGEAO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103744
O=C(CCn1nc2n(c1=O)cccc2)NCCCc1nnc2n1CCCCC2	PC-id_100906622	383.448	ILDGUFQJQMXLOU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103745
O=C(N1CCN(CC1)C(=O)Cc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183276	383.448	SGEQMXBKGQHARL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103746
O=C(NC(CC(C)C)c1n2CCNCCc2nn1)C1C=C2NC(=O)N=C2C=C1	PC-id_76404044	383.448	JSDCMIBBQUTQNW-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-103747
n12CCCCCc1nnc2C(=Cc1c(nn(c1)CCC#N)c1ccccc1)C#N	PC-id_3315512	383.449	IYUNLSFJUKZXLZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103748
n12CCCCCc1nnc2/C(=C/c1c(nn(c1)CCC#N)c1ccccc1)/C#N	PC-id_5790959	383.449	IYUNLSFJUKZXLZ-NBVRZTHBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103749
FC(F)(F)c1nn(CC(=O)NC(C2C3CC(C2)CC3)C)c2c1CCCCC2	PC-id_19523663	383.451	MUBFTIWAFKHDCT-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-103750
FC1(F)CC(C1)C(=O)N1CCc2nc(sc2CC1)C(=O)N1CCCCC1	EMOLS-id_313792053,ZINC22_1565551704	383.456	VHDBRAONIOVMCZ-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-103751
c1(NC(=O)c2cc3c(cccc3)o2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2367016348,EMOLS-id_2437505,PC-id_1190204,ZINC22_952930,CoCoCo_889173	383.461	OCEYIQPMOGZKAJ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-103752
O=C(O)c1cc(CCCCNS(=O)(=O)c2ccccc2)c2-c1ccccc2	CHEMBL353392,SCHEMBL9626710,PC-id_10362543	383.461	MRHWMBMFSCOPDZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-103753
s1c2CCCCCc2cc1C(=O)OCC(=O)c1cc2C(C(=O)Nc2cc1)C	PC-id_85001911	383.461	OVYKHBXVSINUQK-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-103754
s1c2CCCCCc2cc1C(=O)OCC(=O)c1cc2[C@H](C(=O)Nc2cc1)C	PC-id_9403253	383.461	OVYKHBXVSINUQK-GFCCVEGCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-103755
s1c2CCCCCc2cc1C(=O)OCC(=O)c1cc2[C@@H](C(=O)Nc2cc1)C	PC-id_9403257	383.461	OVYKHBXVSINUQK-LBPRGKRZSA-N	00000010100000100100000000001010000000000000000000000000	31-01-103756
s1c2CCCCCc2cc1C(=O)OCC(=O)c1cc2c(N(C(=O)C2)C)cc1	PC-id_8254859	383.461	IJTIBALECXKXSF-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-103757
s1c2CCCCCCc2cc1C(=O)OCC(=O)c1cc2CC(=O)Nc2cc1	PC-id_9456265	383.461	IBNOKEKJYWZRLO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-103758
S(=O)(=O)(NCCCc1c2-c(c(c1)C(=O)OC)ccccc2)c1ccccc1	PC-id_10249383	383.461	JZVDBLQUIQDXOB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-103759
c1(CN(C)Cc2c3CCCCCc3[nH]n2)c[nH]nc1c1ccc(cc1F)OC	PC-id_28388795,CoCoCo_1169599,ZINC22_11664474,CoCoCo_1169600,CoCoCo_1169602,CoCoCo_1169603,CoCoCo_1169598,EMOLS-id_20427859,CoCoCo_1169597,MCULE-2060118166,CoCoCo_1169604,CoCoCo_1169601	383.462	RLSGSEPHFJFWHV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103760
OC1CS(=O)(=O)CC1N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100015823	383.462	WXKRPKKZQVBZII-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-103761
O=C(c1noc2c1CCCCC2)NC1CS(=O)(=O)CC1N1CCOCC1	EMOLS-id_100978042	383.462	WPJWNYORUYQIQA-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-103762
O=C(N1CC2(c3c1cccc3F)CCCC2)NCc1nnc2n1CCCCC2	EMOLS-id_110207314	383.462	ZMQKUGVSQLPJMB-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-103763
c1(NC(=O)CON=Cc2ccc(cc2)OC)sc2c(CCCCC2)c1C#N	MCULE-3359050966,PC-id_1923432	383.464	JKDQHIYZZGIZLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103764
c1(sc2c(CCCCCC2)n1)NC(=O)c1ccc(cc1)N1C(=O)CCC1=O	SYN-20012679,CoCoCo_493818,EMOLS-id_30436221,PC-id_46969788,MCULE-4555107431,ZINC22_19332195	383.464	BSGAFKAELJAWKC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103765
s1c2c(CCCCC2)c(c1NC(=O)CNc1cc(ccc1)C#N)C(=O)OC	PC-id_9101431	383.464	KOPFXJTZBMKBDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103785
CC(c1onc(n1)c1cccnc1)OC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_30698498,MCULE-3071353241,PC-id_46543964	383.464	XTTXXRZOCWGNMI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-103766
CC(C)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1nc2CCCCCc2s1	MCULE-4323683171,EMOLS-id_334602354	383.464	MKSAQHULJRFSGU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103767
C[C@H](OC(=O)c1cc2c(s1)CCCCCC2)c1nc(c2cccnc2)no1	ZINC22_45916032,PC-id_52227836	383.464	XTTXXRZOCWGNMI-ZDUSSCGKSA-N	00000000100000101101100000000010000000000000000000000000	31-01-103768
C[C@@H](OC(=O)c1cc2c(s1)CCCCCC2)c1nc(c2cccnc2)no1	ZINC22_45916033,PC-id_52227837	383.464	XTTXXRZOCWGNMI-CYBMUJFWSA-N	00000000100000101101100000000010000000000000000000000000	31-01-103769
COc1ccc(cc1)/C=NOCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_5958390	383.464	JKDQHIYZZGIZLV-UUYOSTAYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103770
COc1ccc(cc1)/C=N/OCC(=O)Nc1sc2c(c1C#N)CCCCC2	STOCK2S-50243,EMOLS-id_26276932,TIMTEC240395,CoCoCo_5958389,ZINC22_2305033,PC-id_6883657	383.464	JKDQHIYZZGIZLV-WSDLNYQXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103771
COC(=O)c1ccc(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	EMOLS-id_16802083,ZINC22_12608619,CoCoCo_3686378,MCULE-3989455348,PC-id_25393308	383.464	IFGRQHKUWXUOGN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103772
COC(=O)c1cn(CC(=O)Nc2nc3c(s2)CCCCC3)c2ccccc12	EMOLS-id_44038046,CoCoCo_4546209,ZINC22_22312239,PC-id_30208395,MCULE-2755512993	383.464	KNELUKYCYUEYRJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-103773
COC(=O)c1c(NC(=O)Cc2cn3ccccc3n2)sc2c1CCCCC2	PC-id_71894304,ZINC22_83891625,EMOLS-id_44532491,MCULE-1581906671	383.464	ABJFOARPHJZWQI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103774
N1(CCCC(=O)Nc2sc3c(CCCCC3)n2)C(=O)c2c(cccc2)C1=O	PC-id_16605133,EMOLS-id_334603635,MCULE-6889197123	383.464	VOPVOYKHLCLBQI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103775
N#Cc1cc2c([nH]1)C(=CN(CC2(C)C)C(=O)c1cccs1)C(=O)OC(C)C	BindingDB_PC-id_42611164,CHEMBL578756,PC-id_42611164,SCHEMBL4228573	383.464	JIRVCGUFWISTBB-UHFFFAOYSA-N	00000000100100000110000000000010000000000000000000000000	31-01-103776
O=C1CCC(=O)N1Cc1ccc(cc1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98320500	383.464	BLEGSFFSGOUGOG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103777
O=C(c1cc2c(s1)CCCCC2)Nc1ccc(c(c1)N1C(=O)NCC1=O)C	EMOLS-id_100287260	383.464	NEMYVXMSXAAWSK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103778
ONC(=O)c1cn2c(c1)CN(CC(C2)(C)C)C(=O)c1cc2c(s1)cccc2	PC-id_58465717,SCHEMBL2526107	383.464	BJXXCHOMIAWRJF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103779
O=S(=O)(Cc1ccccc1Oc1ccccc1)c1nnc2n1CCCCC2	EMOLS-id_189641723,MCULE-7007926385,ZINC22_125287934	383.464	DSZWLJHHTBSYBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103780
s1c2CCCCCc2cc1C(=O)Nc1cc([C@@]2(NC(=O)NC2=O)C)ccc1	PC-id_52252528	383.464	KJYAUTJVNSBSGM-FQEVSTJZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103781
s1c2CCCCCc2cc1C(=O)Nc1cc([C@]2(NC(=O)NC2=O)C)ccc1	PC-id_52252529	383.464	KJYAUTJVNSBSGM-HXUWFJFHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103782
s1c2CCCCCc2cc1C(=O)Nc1cc(C2(NC(=O)NC2=O)C)ccc1	PC-id_75813946	383.464	KJYAUTJVNSBSGM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103783
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(OC)c(OCC#N)cc1	PC-id_78620889	383.464	LUSSXJDOCLELGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103784
C(CCCCCCCCCCC)CCCCCCCCc1c2-c(cc1)ccccc2	PC-id_19815788	408.702	WDOBRVAODKJPHW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118907
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(N)c(ccc1)C)C#N	PC-id_30082906	383.464	BVLDJUZDTXCVPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103786
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(NC)cccc1)C#N	PC-id_45692635	383.464	FXNACBQHBQNEBT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103787
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1ccc(nc1)C)C#N	PC-id_55836099	383.464	WVFRLHVJNKCYSL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-103788
s1c2CCCCCCc2cc1C(=O)NNC(=O)COc1ccc(cc1)C#N	PC-id_24409816	383.464	IKDCKWQGTZWRAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103789
CN=C(NCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1ccc(c2)F	PC-id_111888129	383.466	NUHIOQCNYJHQKQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-103790
CN=C(NCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1cc(F)cc2	PC-id_111972076	383.466	NDRJNNCAHLNOES-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-103791
CN(C)S(=O)(=O)N1CCc2nc(cn2CC1)C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12	MCULE-1508181415,ZINC22_1875243342,EMOLS-id_331101469	383.466	CKLWJVVQLMSJPO-OUCADQQQSA-N	00001010100000000101001000000010000000000000000000000000	31-01-103792
S(c1n2CCCCCc2nn1)CC(=O)N(CC)CC(=O)NC(=O)OCC	PC-id_8379209	383.466	ANTBTSVHKTXBKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103793
c1(C(=O)Nc2ccc3c(c2)cc(s3)C(=O)N(C)C)cn2c(CCNCC2)n1	ZINC22_1857737230,MCULE-8357844724,EMOLS-id_330496840	383.467	CEBXHVFDQAGJMM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103794
c1(C(=O)Nc2nnc(Cc3ccc(cc3)OC)s2)c2CCCCCc2[nH]n1	MCULE-5720850661,EMOLS-id_323251131	383.467	BLXNXIUMALQVSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103795
c1(nc(CNC(=O)c2cc3c(CCCCC3)s2)cc(=O)[nH]1)c1cn(cn1)C	ZINC22_63857036,PC-id_136076975,MCULE-8143101814,EMOLS-id_32405500	383.467	BVGRLFMCQJVPQG-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-103796
c1(NC(=O)CCC(=O)Nc2ccc3c([nH]cn3)c2)sc2c(CCCCC2)n1	EMOLS-id_334965624,MCULE-3192837326	383.467	UUCWRNFFOVSFOI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103797
c1(NC(=O)CCC(=O)Nc2ccc3c([nH]nc3)c2)sc2c(CCCCC2)n1	MCULE-4695886600,EMOLS-id_335017067	383.467	RRDRIGQIQYNDFC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103798
Cc1ccc(c2cc(NC(=O)CSc3nnc4n3CCCCC4)on2)cc1	EMOLS-id_3535330,CoCoCo_3854818,MCULE-5210614725,PC-id_16261069,ZINC22_6879955	383.467	BPOGTGWOHHRWBC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103799
Cc1ccc(c2nc(C(=O)N(C)Cc3nnc4n3CCOCC4)cs2)cc1	ZINC22_1615548354,MCULE-7044085747,EMOLS-id_320334788	383.467	NUGQADCFHQBRBJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103800
Cc1c(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)nc2ccccn12	EMOLS-id_313791794,ZINC22_1565555273	383.467	DVQVVCWISULDIX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103801
Cc1nc2ccccn2c1C(=O)N1CCc2nc(C(=O)N(C)C)sc2CC1	EMOLS-id_313794098,ZINC22_1565555797	383.467	POXPCJUKFHQNRM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103802
Cc1nc(C)c(s1)C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	EMOLS-id_50586859,MCULE-9617466519,PC-id_91922504	383.467	UDAMOHNZRITJLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103803
COc1cccc(NC(=O)c2nc3CCN(Cc4cn[nH]c4)CCc3s2)c1	EMOLS-id_313792573,ZINC22_1203091291	383.467	ZJAPMUINHQPNLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103804
CC(C)c1ccc2-c(c(cc2S(=O)(=O)O)CCCCN=S(=O)=O)cc1	PC-id_88490873	383.482	ZUHLUZLHEFBAGQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-103825
n12CCC(CCc1nn(Cc1ccncc1)c2=O)C(=O)NCc1ccsc1	EMOLS-id_207877095,MCULE-5959778160	383.467	OEHBSLOYCROEEF-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-103805
O=C1Nc2cc(sc2CCC1NC(c1nnc([nH]1)Cc1ccccc1)O)C	SCHEMBL19037370	383.467	VJEOIOXDJCMUGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103806
O=C1Nc2cc(sc2CCC1NC(=O)c1nnc([nH]1)CC1CC=CC=C1)C	SCHEMBL19037353	383.467	RZXVXXJIVAZVNJ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-103807
O=C(c1sc2c(c1)CCCCCC2)NNC(=O)c1c(C)nn2c1nccc2	PC-id_86822873	383.467	UXMBSLRFURTYNN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103808
O=C(NCc1nnc2n1CCCCC2)c1ccc(OCc2cscn2)cc1	ZINC22_40012932,EMOLS-id_30238407,MCULE-9251926095,PC-id_45859674	383.467	LNKQLCSSQHLFSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103809
O=C(NCCNC(=O)c1n[nH]c2ccccc12)c1cc2c(s1)CCCNC2	ZINC22_2325778351	383.467	UYNMTWIWBUMNEL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103810
[O-][N+](=O)c1ccccc1c1ccc(s1)CNCc1nnc2n1CCCCC2	MCULE-4749831856,PC-id_119107797,EMOLS-id_51621734	383.467	KYUXYIZRXNSFAI-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-103811
[O-][N+](=O)c1ccc(cc1)c1ccc(s1)CNCc1nnc2n1CCCCC2	PC-id_119107794	383.467	TZWFSDZOHRJXCV-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-103812
s1c2CCCCCc2cc1C(=O)Nc1cc(n2nnnc2C)c(OC)cc1	PC-id_56395942	383.467	OENHVYKTXAMKEV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103813
s1c(nc(C(=O)NCc2n3CCCCCc3nn2)c1)c1ccc(OC)cc1	PC-id_51266371	383.467	FSZIZKCMQFTQSW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103814
c12CN(CCCn1nc(CN(C)Cc1sccn1)c2)C(=O)c1cnccn1	ZINC22_72463376,EMOLS-id_43152304,PC-id_56907578,MCULE-5143479576	383.471	FNVQMOBLRDERID-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-103815
c1(C(=O)NCCc2csc(c3cnccn3)n2)cc2n(CCCN(C)C2)n1	EMOLS-id_32412038,PC-id_50971343,MCULE-1818204906,ZINC22_65433716	383.471	MVGBUNMXSPQZEB-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-103816
CC(=O)N(c1scc(n1)CNC1CCn2c(CC1)nnn2)c1ccccc1	MCULE-7571873861,EMOLS-id_316368864	383.471	GMFHGHFBJOECQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103817
O=C1N(N=C2[NH+]1C=CC=C2)CN1CCN(CC1)Cc1n2CCCCCc2nn1	PC-id_85478746	383.471	VQQSXFGVVHLXEU-UHFFFAOYSA-O	00000011100011000101000000000110000000000000000000000000	31-01-103818
O=C(C1CCn2c(CC1)nnn2)NCCCc1scc(n1)c1ccccn1	EMOLS-id_316653011	383.471	ASTJTQNLLKQECJ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-103819
O=C(NC1CCn2c(CC1)nnn2)CSc1nccn1Cc1ccccc1	EMOLS-id_278936305	383.471	BHAFPLBOFGDVRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103820
O=C(NCCc1nnc2n1CCCCC2)Nc1csc(c2ccccn2)n1	MCULE-2140157560,PC-id_75401423,ZINC22_95466977,EMOLS-id_48327845	383.471	CZSBVOJYVOBVRU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-103821
s1c(C(=O)NCCc2n3CCCCCc3nn2)c(nc1c1ncccn1)C	PC-id_55910723	383.471	PUOVNEPFIURAAG-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-103822
CCC(c1nnc2n1CCCCC2)NC(=O)CC1CCN(CC1)CC(F)F	EMOLS-id_319826359,MCULE-1649838080	383.479	FTBPGRUMDRRPPO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-103823
CCOc1ccc(cc1)C(=O)c1c(C)cc2n1CCCCC2C(=O)OC(C)C	PC-id_20483996,SCHEMBL11200722	383.481	XQTOESQXBDKVAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103824
s1c2CCCCCc2cc1C(=O)OCc1oc(S(=O)(=O)N(C)C)cc1	PC-id_55730597	383.482	DHJQCPXWMHZACO-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-103827
S1(=O)(=O)CC(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)C=C1	PC-id_75889202	383.482	HSMZOOOFFHQVGA-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-103828
S1(=O)(=O)C[C@@H](CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)C=C1	PC-id_52638600	383.482	HSMZOOOFFHQVGA-LLVKDONJSA-N	00000011100000000100000000000010000000000000000000000000	31-01-103829
S1(=O)(=O)C[C@H](CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)C=C1	PC-id_52638601	383.482	HSMZOOOFFHQVGA-NSHDSACASA-N	00000011100000000100000000000010000000000000000000000000	31-01-103830
c12CN(CCCn1nc(C(C)O)c2)C(=O)C(C)(C)Oc1ccc2c(CCC2)c1	MCULE-5627243137,PC-id_91759666,EMOLS-id_55601870	383.484	OIJSEHOLJCUDAZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103831
Cc1c2c(nn1Cc1ccc(cc1)OC)C(=CNCC2(C)C)C(=O)OC(C)C	PC-id_137255422,SCHEMBL19702823	383.484	NSILXRYLUVEMQD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-103832
Cc1ccc(cc1)C(N1CCOCC1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100944504	383.484	VDPSNBDWBVBSID-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103833
Cc1ccc(cc1)C(NC(=O)c1noc2c1CCCCC2)CN1CCOCC1	EMOLS-id_100934370	383.484	YTNQYBUEZVUUAJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103834
CC1CCN(CCCc2c(C1=O)n(nc2)C(C)C)C(=O)OCc1ccccc1	PC-id_134308870,SCHEMBL19928414	383.484	FLTDPLYHBILKMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103835
CC1(Cn2cc(cc2C(=O)N(C1)Cc1ccc(cc1)C(C)(C)C)C(=O)NO)C	SCHEMBL2526314,PC-id_87401207	383.484	VTVVMELCCMRVLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103836
Cc1nn(c2c1C(CNC=C2C(=O)OC(C)C)(C)C)Cc1ccc(cc1)OC	PC-id_137255423,SCHEMBL19702826	383.484	OXPVNGJIHFJPLX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-103837
CC1OC(C)CN(C1)Cc1ccccc1NC(=O)c1noc2c1CCCCC2	EMOLS-id_100938459	383.484	NIUGROUZMDZHOX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103838
CC1OCCN(C1)Cc1cccc(c1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100121853	383.484	BLRNICMUXSMJKG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103839
CCCCC(c1ccc(cc1)C(=O)N1CCCn2c(C1)cc(c2)C(=O)NO)C	PC-id_144264874	383.484	ZZHAGHRYKMDSNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103840
CC(C)(C)n1c2c(CCCN(CCCC2=O)C(=O)OCc2ccccc2)cn1	PC-id_134602640,SCHEMBL20256977	383.484	MBYUZXKJUXSTQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103841
CCCCNCCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_69666052,SCHEMBL6105353	383.484	WLWGFITVLQUROM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103842
CCCCNCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL6095543,PC-id_21953115	383.484	NTLYJLVDKNDSEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103843
CC(CCNC(=O)C1(C)CCc2c(C(=O)N1Cc1ccccc1)c(no2)C)C	PC-id_71162114,SCHEMBL14398720	383.484	WHCHSUZQIOBETK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103844
CCCNCCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL6092881,PC-id_21953123	383.484	PULUVRJJNNZJGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103845
CC(C)OC(=O)C1=CN(C(=O)C2CCCCC2)CC(C)(C)c2cc(C#N)[nH]c12	PC-id_42611143,CHEMBL568235,BindingDB_PC-id_42611143,SCHEMBL4229166	383.484	XXFNZXMNEZHOIU-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-103846
C[C@H](c1cc2n(n1)CCCN(C2)C(=O)C(Oc1ccc2c(c1)CCC2)(C)C)O	PC-id_99999966	383.484	OIJSEHOLJCUDAZ-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103847
C[C@@H](c1cc2n(n1)CCCN(C2)C(=O)C(Oc1ccc2c(c1)CCC2)(C)C)O	PC-id_99999971	383.484	OIJSEHOLJCUDAZ-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103848
CC(N(C(C)(C)C)O)Cn1ccc2c1C(=O)N(CCC2=O)Cc1ccccc1	PC-id_140375892	383.484	GIWRYPGAVJTKPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103849
CCN(CCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	PC-id_21953179,SCHEMBL6094904	383.484	NDGYYDNEGBPXSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103850
CC(NCCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	SCHEMBL6092202,PC-id_21953176	383.484	WTRPCOHGLVIYMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103851
CC(NCCCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	SCHEMBL6401502,PC-id_18673202	383.484	ULKCDFFVVVPYCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103852
CCN(CCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)CC	PC-id_21953094,SCHEMBL6093090	383.484	ZNBNNEPYQPUEDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103853
CN(C(=O)c1noc2c1CCCCC2)CC1(O)CCN(C1)Cc1ccccc1	EMOLS-id_101023927	383.484	LHRMPPIKIXEJSB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103854
o1nc(c2CCCCCc12)C(=O)N1CCN(CC1)c1ccc(OCCC)cc1	PC-id_71460542	383.484	XHDNUORNUZMOQF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103855
OCC1CCN(CC1NC(=O)c1noc2c1CCCCC2)Cc1ccccc1	EMOLS-id_101053393	383.484	CLYKNYYCAYVRIZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103856
OC(Cn1c2c(C(=O)CCN(C2=O)Cc2ccccc2)cc1)CNC(C)(C)C	PC-id_20085251,SCHEMBL6988720	383.484	KGCSCPIEJUZOTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-103857
O=C(N1Cc2c(C)nn(c2OCC1COc1ccccc1)C)C1CCCCC1	PC-id_146160628,EMOLS-id_323938030	383.484	WBOCUQDRBBWAFH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103858
Cc1ccc(cc1S(=O)(=O)N1CCCc2c(C1)cnn2C)S(=O)(=O)C	EMOLS-id_101948337	383.486	SIFBLGAKJHWWIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103859
CCCc1nc2CCCCC(=O)c2n1Cc1ccc(cc1)c1ccccc1C#N	PC-id_85121695,MCULE-8904586554,EMOLS-id_195055125	383.486	WFVMEXWOQHYHQH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-103860
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1n[nH]c2CCCCCc12	MCULE-7702581616,EMOLS-id_222789841,ZINC22_670471039	383.486	DWVKVGIXHHUITA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103861
CS(=O)(=O)NCC1CN(CCn2c1ccc2)S(=O)(=O)c1ccccc1	PC-id_101877840	383.486	JLKYNINHFQHWMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103862
O=C(c1noc2c1CCCCC2)NCCN(S(=O)(=O)c1cccs1)C	EMOLS-id_100986289	383.486	BHPLJENJLFPXRW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-103863
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(onc1C)C	PC-id_8482925	383.486	QZLKGZKWVZKTIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103864
c12CN(CCCn1nc(C)c2)C(=O)Nc1ccccc1OC1CCN(CC1)C	PC-id_118786246,MCULE-9323510790,ZINC22_299791417,EMOLS-id_68922605	383.487	FRAGPLXLASCXCO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103865
c12CN(CCCn1nc(CN1CCN(CC1)C(=O)c1ccco1)c2)CC1CC1	PC-id_56888080,ZINC22_72134530,MCULE-5305442781,EMOLS-id_43081619	383.487	VWRYBIBWYLHBIS-UHFFFAOYSA-N	00100000101010000101000000000010000000000000000000000000	31-01-103866
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3ccc(c(C)c3)OC)CCn12	ChEMBL-DNDi_CHEMBL32349861,MCULE-6696223151,EMOLS-id_20522055,PC-id_45198486	383.487	RJTDXLSMYDUNGV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-103867
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(CC3CCC=CC3)CCn12	PC-id_45189219,MCULE-5904202725,EMOLS-id_20481159	383.487	JDWWPDAYZSRRFU-UHFFFAOYSA-N	00000000101011000101000000000010000000000000000000000000	31-01-103868
c1(cn2c(CCNCC2)n1)C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1ccccc1	ZINC22_1857716910,MCULE-3516939149,EMOLS-id_330403836	383.487	GPZJAEFTLAGRTJ-ICSRJNTNSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103869
c1(CN(C)C(=O)Nc2ccccc2CC(=O)N(C)C)c2CCCCCc2[nH]n1	ZINC22_97076455,MCULE-2335270073,EMOLS-id_49638899,PC-id_74230075	383.487	RKZHXARPGYHMQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103870
c1(C(=O)NC2CCN(CC2)Cc2cccc(O)c2)cc2n(CCCN(C)C2)n1	ZINC22_65428468,MCULE-3614610713,PC-id_50970167,EMOLS-id_32409856	383.487	AVESPGXDZGOTEW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103871
c1(C(=O)NCC2=CCCCC2)cn2c(CCN(CC2)Cc2c(C)noc2C)n1	MCULE-3526417003,ZINC22_1940195025,EMOLS-id_336499125	383.487	JGSKTIHSRJJVOW-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-103872
c1(C(=O)NCC2CN(CCCO2)Cc2ccccc2)cn2c(CCNCC2)n1	EMOLS-id_330388734,MCULE-4252404541	383.487	YFYPATBNJBYUHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103873
c1(NC(=O)CSc2oc3c(cccc3)n2)sc2c(CCCCC2)c1C#N	EMOLS-id_4061198,PC-id_4450734,ZINC22_6244178,CoCoCo_6781252,MCULE-1996182119,TIMTEC310588	383.487	MKFCMKXIMJMMSN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103874
Cc1ccccc1OCC(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_24002071,PC-id_16300089,CoCoCo_4526310,MCULE-9478438860,EMOLS-id_13409292	383.487	MWSAUAUJKLITDQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103875
Cc1cccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)c1	MCULE-8037259792,PC-id_45185352,EMOLS-id_20464489	383.487	OCHMEMKUOCXIHA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103876
Cc1cccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c1	CoCoCo_1220356,ZINC22_20211056,CoCoCo_1220358	383.487	OCHMEMKUOCXIHA-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103877
Cc1cccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c1	CoCoCo_1220359,CoCoCo_1220357,ZINC22_20211049	383.487	OCHMEMKUOCXIHA-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103878
Cc1cccc(N2CCN(CC2)C(=O)CC2CCc3n[nH]c(=O)n3CC2)c1C	EMOLS-id_207877167,MCULE-7112451695	383.487	NYDBBQNDEKRCNX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103879
Cc1cc(C(=O)NCc2nnc3n2CCN(C[C@H]2CC=CCC2)CC3)c(C)o1	CoCoCo_1244524,ZINC22_11872294,CoCoCo_1244526	383.487	JDWWPDAYZSRRFU-KRWDZBQOSA-N	00000000101011000101000000000010000000000000000000000000	31-01-103880
Cc1cc(C(=O)NCc2nnc3n2CCN(C[C@@H]2CC=CCC2)CC3)c(C)o1	ZINC22_11872296,CoCoCo_1244523,CoCoCo_1244525	383.487	JDWWPDAYZSRRFU-QGZVFWFLSA-N	00000000101011000101000000000010000000000000000000000000	31-01-103881
Cc1cc(nc(n1)C(C)C)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111824500	383.487	MDPFHQCIQAOOGB-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-103882
Cc1oc(c2cccs2)nc1C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_84053024,EMOLS-id_44532035,MCULE-7381479948,PC-id_71894560	383.487	COFYNBWHWOIEQG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-103883
CC1OC(C)CN(C1)c1ccccc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101954964	383.487	MNQAPASCJGBBMR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103884
CC1OC(C)CN(C1)Cc1ccccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320061178,MCULE-3873076086	383.487	QLJZPYCZUNJZIU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103885
CC(C1OCCN(C1)Cc1ccccc1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-1288695684,EMOLS-id_320165516	383.487	FVIKKCUEMIQZQU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103886
C/C(=C/c1ccco1)/CN1CCc2n(CC1)c(nn2)CCNC(=O)C1CCC1	CoCoCo_1161857,CoCoCo_1161855	383.487	KIRBFLRBTOMAED-PEZBUJJGSA-N	00001000101000000101000000000010000000000000000000000000	31-01-103887
C/C(=Cc1ccco1)/CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1	CoCoCo_1161858,CoCoCo_1161856,ZINC22_64024000,PC-id_42449103,EMOLS-id_44851387	383.487	KIRBFLRBTOMAED-JQIJEIRASA-N	00001000101000000101000000000010000000000000000000000000	31-01-103888
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1c(OC)ccc2c1CCC2	EMOLS-id_100468238	383.487	DIUQPXJLOVHTTN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103889
C/C=C(C)/CN1CCc2nnc(C(C)NC(=O)COc3ccccc3)n2CC1	PC-id_45180470,EMOLS-id_44851579	383.487	JUUDCXQXHXBDND-AYSLTRBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103890
C/C=C(C)/CN1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1	CoCoCo_1191270,CoCoCo_1191268,ZINC22_14879018	383.487	JUUDCXQXHXBDND-DEKXCNBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103891
C/C=C(C)/CN1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1	ZINC22_14879017,CoCoCo_1191266,CoCoCo_1191264	383.487	JUUDCXQXHXBDND-XOVDAKGOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103892
C/C=C(CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)COc1ccccc1)C)/C	CoCoCo_1191265,CoCoCo_1191263	383.487	JUUDCXQXHXBDND-MOASMMDXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103893
C/C=C(CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)COc1ccccc1)C)/C	CoCoCo_1191269,CoCoCo_1191267	383.487	JUUDCXQXHXBDND-MZFMJYJMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103894
CC[C@H](C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc2c(c1)CCO2)C	CoCoCo_1169870,CoCoCo_1169872	383.487	PCPMUOBKONUHHJ-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103895
CC[C@@H](C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc2c(c1)CCO2)C	CoCoCo_1169871,CoCoCo_1169869	383.487	PCPMUOBKONUHHJ-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103896
CCCN(C(=O)c1ccccc1NC(=O)C1CCn2c(CC1)nnc2)C(C)C	EMOLS-id_316700659	383.487	KGQYAXUMOZNILL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103897
CCCN(C(=O)C1CCn2c(CC1)nn(c2=O)Cc1ccncc1)CC1CC1	MCULE-3469303415,EMOLS-id_207877068	383.487	OHQHROSVZFGASF-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-103898
CCN1CCN(CC1)c1ccc(cn1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100942182	383.487	JDBJWGWUQCZVFS-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-103899
CCn1nc2n(c1=O)CCC(CC2)C(=O)Nc1cccc(c1)CN1CCCC1	MCULE-9110809897,EMOLS-id_207877062	383.487	DZTYCHITILOMOE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103900
CCN(Cc1ccccc1NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)C(=O)C	ZINC22_663170199,EMOLS-id_313131075,MCULE-7326251600	383.487	JCXGBSZCJJFXNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103901
CC(NC(=O)c1noc2c1CCCCC2)CN1CCN(CC1)c1ccccn1	EMOLS-id_101052931	383.487	ICYRDUKVKFQRHY-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-103902
CCOc1ccc(cc1)CN1CCn2c(CC1)nnc2[C@H](NC(=O)C1CC1)C	CoCoCo_1135463,CoCoCo_1135464	383.487	IAIKVNQQBZHNLN-OAHLLOKOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-103903
CCOc1ccc(cc1)CN1CCn2c(CC1)nnc2[C@@H](NC(=O)C1CC1)C	CoCoCo_1135465,CoCoCo_1135466	383.487	IAIKVNQQBZHNLN-HNNXBMFYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-103904
CCOc1ccc(cc1)CN1CCn2c(CC1)nnc2C(NC(=O)C1CC1)C	ChEMBL-DNDi_CHEMBL12007292,PC-id_45171056	383.487	IAIKVNQQBZHNLN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-103905
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)C(=O)Nc1cc(C)cc(C)c1	EMOLS-id_168607905,MCULE-1781985771	383.487	OBUVKOMBNSEJKO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-103906
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)C(=O)NCc1ccc(C)cc1	PC-id_91922741,EMOLS-id_50590546,MCULE-4492343757	383.487	FIEVKNUGJUQEHE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-103907
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)C(=O)NCCc1ccccc1	MCULE-4877599593,EMOLS-id_50590548,PC-id_91922742	383.487	NXOKMECMPLKYEF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-103908
COc1ccc(cc1)CN1CCC1C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_319451950	383.487	DKDIRXOTTHEUMR-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103909
COc1ccc(cc1)CN1CCC1C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_319906953,MCULE-6645387497	383.487	HYAAMGGXWTXAMV-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103910
COc1ccc(cc1)CN1CCCN(CC1=O)Cc1nnc2n1CCCCC2	EMOLS-id_99864818	383.487	ITSBCAGWOGAOPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103911
COc1ccc(cc1)C(NC(=O)C1CCn2c(CC1)nnc2)CN1CCCC1	MCULE-8847652446,EMOLS-id_258058442	383.487	YADVIOQPHPXIAM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103912
COc1ccc(cc1C(=O)NCc1nnc2CCCCCn12)N1CCCCC1	SYN-22952432,PC-id_46977422,CoCoCo_506686,EMOLS-id_30449967,ZINC22_19716213,MCULE-3985308421	383.487	NEAPENJABJHBKG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103913
COc1ccc(cc1NC(=O)C1CCCN1Cc1nnc2n1CCCCC2)C	EMOLS-id_99355135	383.487	SRHJKNZQBILLSQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103914
COc1ccccc1NC(=O)C1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_100893570	383.487	DQMDRKXEQLINQB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103915
COc1cccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c1	CoCoCo_1154015,PC-id_28311147,EMOLS-id_20416524,MCULE-7973176162,ZINC22_19742459,ChEMBL-DNDi_CHEMBL13900563,CoCoCo_1154016	383.487	SBLMJIOJTPBZAD-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-103916
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)cc1C	PC-id_29153427,CoCoCo_1303299,CoCoCo_1303300,ZINC22_20783953	383.487	RJTDXLSMYDUNGV-HNNXBMFYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-103917
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)cc1C	ZINC22_20783950,PC-id_29153426,CoCoCo_1303298,CoCoCo_1303297	383.487	RJTDXLSMYDUNGV-OAHLLOKOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-103918
COCCN1CCC(C1)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337700799,MCULE-5234757052	383.487	GTAKXLBTJUPUFX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103919
COCCN1CC[C@@H](C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)C1	ZINC22_2100482929	383.487	GTAKXLBTJUPUFX-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103920
COCCN1CC[C@H](C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)C1	ZINC22_2100482930	383.487	GTAKXLBTJUPUFX-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103921
CO[C@H]1C[C@H](CC[C@@H]1N)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356138334,MCULE-6893098851,EMOLS-id_337812495	383.487	JPIWUNLDQPCDHB-BZSNNMDCSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103922
n12CCC(CCc1nn(Cc1ccncc1)c2=O)C(=O)NCC1CCCCC1	MCULE-1766436390,EMOLS-id_207877119	383.487	MXKYRGNYWPIYOI-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103923
n12CCN(CCc1nnc2CCNC(=O)C1CCC1)CC(=Cc1ccco1)C	MCULE-9408748919,PC-id_74804036	383.487	KIRBFLRBTOMAED-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-103924
n12CCN(CCc1nnc2C(C)NC(=O)COc1ccccc1)CC(=CC)C	PC-id_75099197,MCULE-7177191670	383.487	JUUDCXQXHXBDND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103925
n1c(CNC(=O)N(CC2CCCO2)Cc2ccccn2)c2c(CCCCC2)[nH]1	EMOLS-id_177361325,PC-id_121494754,MCULE-7497731811	383.487	LTKYZAOMKGSGRL-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-103926
N#Cc1c(NC(=O)Cn2sc3c(c2=O)cccc3)sc2c1CCCCC2	EMOLS-id_98052338	383.487	BQKWNQVCZQNPJC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103927
N#CCCCOc1cc(CNCCc2nnc3n2CCCCC3)ccc1OC	MCULE-2889685517,EMOLS-id_51669181,PC-id_119111940	383.487	KPMTWNPCNWKSEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103928
O1c2c(cc(CN3CCn4c(nnc4CNC(=O)C(CC)C)CC3)cc2)CC1	PC-id_45176912	383.487	PCPMUOBKONUHHJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-103929
O1C(CCC1)C(=O)NCCc1n2CCN(CCc2nn1)Cc1c(cccc1)C	PC-id_45196186	383.487	MJWGJZQLPKKTAT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103930
O=C1N(CCCn2nc(cc12)C(=O)NCCN(CC)CC)Cc1ccccc1	PC-id_53029173	383.487	YYTOWKINQSNCEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103931
O=C([C@H]1CCCO1)NCCc1nnc2n1CCN(CC2)Cc1ccccc1C	CoCoCo_1288269,CoCoCo_1288271	383.487	MJWGJZQLPKKTAT-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103932
O=C([C@@H]1CCCO1)NCCc1nnc2n1CCN(CC2)Cc1ccccc1C	CoCoCo_1288270,CoCoCo_1288272	383.487	MJWGJZQLPKKTAT-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103933
O=C(Cn1nc2n(c1=O)CCCCC2)NCC1CCCN1Cc1ccccc1	MCULE-9747997328,PC-id_139001268,EMOLS-id_320380176	383.487	DDGWEQNHVXYQRO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103934
O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@H]1CCCN1Cc1ccccc1	ZINC22_114642203	383.487	DDGWEQNHVXYQRO-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103935
O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@@H]1CCCN1Cc1ccccc1	ZINC22_114642205	383.487	DDGWEQNHVXYQRO-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103936
O(C(C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)C)c1ccccc1	PC-id_51317235	383.487	CWDRVJNBIORFRP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103937
O=C(N1Cc2n(nc(CN3CCCC3)c2)CCC1)CCn1c(cccc1=O)C	PC-id_56888107	383.487	NWAQOPUTSLQMII-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-103938
O=C(N1C(CCC1)c1cc(OC)ccc1)NCCc1n2CCCCCc2nn1	PC-id_75807278	383.487	LIUWROFETCURIC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103939
O=C(N1CCCC1)COc1ccccc1CNCc1nnc2n1CCCCC2	EMOLS-id_50939248,PC-id_121844146,MCULE-3441838688	383.487	QGRYSFCAZOCSIR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-103940
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(cc1)C(N1CCOCC1)C	EMOLS-id_101943303	383.487	YVVFLRUBHPSQFC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103941
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)C(N1CCOCC1)C	EMOLS-id_101959411	383.487	MEFFULJGYGGRFW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103942
O=C(N1CCCn2nc(cc2C1)CNC(=O)CCc1ccc(cc1)C)N(C)C	PC-id_70748834	383.487	FWFWFMQCIBKPIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103943
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(cc1)COC	PC-id_46534101	383.487	IRXIQMMWRSNVAQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103944
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc(ccc1)COC	PC-id_51317242	383.487	ATUJHLLBBHRSSK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103945
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(OCC)cc1	PC-id_51308074	383.487	QYYGBIOIQDUYJO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103946
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc(OC)c(cc1)C	PC-id_51308088	383.487	PYQLMXYAMFWTAZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103947
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(OC)ccc(c1)C	PC-id_51317245	383.487	UYNXAAKYONIHCR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103948
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(OCC)cccc1	PC-id_51308075	383.487	RDVFVUCFFIWZSD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103949
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cc1ccc(OC)cc1	PC-id_51308069	383.487	KKEDBHLTXXJTNC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103950
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cc1cc(OC)ccc1	PC-id_51308080	383.487	HSTOLDBVHAWFAU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103951
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cc1c(OC)cccc1	PC-id_46691984	383.487	HHJQDFKZWAMNNB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103952
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CCc1c(O)cccc1	PC-id_51317236	383.487	VAXUZNBSRNFSMU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103953
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)COc1cc(ccc1)C	PC-id_51317227	383.487	PCFIKUQERXKPEV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-103954
O=C(N1[C@@H](CCC1)c1cc(OC)ccc1)NCCc1n2CCCCCc2nn1	PC-id_52215949	383.487	LIUWROFETCURIC-SFHVURJKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103955
O=C(N1[C@H](CCC1)c1cc(OC)ccc1)NCCc1n2CCCCCc2nn1	PC-id_52215950	383.487	LIUWROFETCURIC-GOSISDBHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-103956
O=C(NCC1(CCOCC1)c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_86984569	383.487	FVDRXWIIGMPVJQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-103957
O=C(NC(c1n2CCN(CCc2nn1)CC=C(C)C)C)c1cc(OC)ccc1	PC-id_45165604	383.487	FMYHKVHMMZYIHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103958
O=C(NCc1n[nH]c2c1CCCCC2)N(Cc1ccccn1)C[C@@H]1CCCO1	ZINC22_426368303	383.487	LTKYZAOMKGSGRL-KRWDZBQOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-103959
O=C(NCc1n[nH]c2c1CCCCC2)N(Cc1ccccn1)C[C@H]1CCCO1	ZINC22_426368304	383.487	LTKYZAOMKGSGRL-QGZVFWFLSA-N	00000010100000101101000000000010000000000000000000000000	31-01-103960
O=C(NCCc1n2CCCCCc2nn1)c1ccc(C(=O)NC(C)(C)C)cc1	PC-id_56129993	383.487	LOORRLCOZJGUQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103961
O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cn2c(n1)CCNCC2	ZINC22_1857716137	383.487	YFYPATBNJBYUHM-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103962
O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cn2c(n1)CCNCC2	ZINC22_1857716138	383.487	YFYPATBNJBYUHM-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103963
c1(C(=O)NCc2cc3n(CCCN(C3)S(=O)(=O)C)n2)sc(nc1C)C	PC-id_72882821,MCULE-3100582387,EMOLS-id_46057621,ZINC22_91626007	383.489	PRORJGKQIGJMBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103964
Cc1c(c(nn1C(C)C)C)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625690	383.489	LLMYERYSLADQKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103965
Cc1nc(CC(=O)NCc2cc3CN(CCCn3n2)S(=O)(=O)C)cs1	ZINC22_91417032,MCULE-2035517817,EMOLS-id_46025845,PC-id_72838785	383.489	AOFPVZIDLFZABB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103966
Cc1nnc2n1C(CN(CC2)S(=O)(=O)C)C(=O)NCCc1cccs1	EMOLS-id_313087133,MCULE-7606599278	383.489	RDOYFZDLOJSXTL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-103967
CN(CC(=O)NCc1nnc2n1CCCCC2)S(=O)(=O)c1cccs1	ZINC22_65532392,PC-id_51266334,MCULE-6746229993,EMOLS-id_35280969	383.489	BKDCPBJMAJBICG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-103968
O=C(Nc1nc2c(s1)CCCCC2)Nc1ccn(n1)CCS(=O)(=O)C	PC-id_100907558	383.489	CIZYMXKPYDUVSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103969
C1CCc2nnc(n2CC1)SC/C(=C(C#N)/c1nc2ccccc2s1)/O	PC-id_135766346	383.49	MVHZCKHJXDHDFI-OWBHPGMISA-N	00000000100000100101000001000010000000000000000000000000	31-01-103970
C1CCc2nnc(n2CC1)SC/C(=C(/C#N)c1nc2ccccc2s1)/O	PC-id_136203821	383.49	MVHZCKHJXDHDFI-WYMLVPIESA-N	00000000100000100101000001000010000000000000000000000000	31-01-103971
C1CCc2nnc(n2CC1)SCC(=C(C#N)c1nc2ccccc2s1)O	PC-id_136785956	383.49	MVHZCKHJXDHDFI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103972
N#Cc1c(NC(=O)CSc2nnc3ccccn23)sc2c1CCCCC2	PC-id_2334735,MCULE-2948937888,CoCoCo_3071112,EMOLS-id_43772986,ZINC22_3216090	383.49	VVLWHUVLOBWKBC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-103973
N#CC(=C1Nc2c(S1)cccc2)C(=O)CSc1nnc2n1CCCCC2	MCULE-1133879284,PC-id_72092342,EMOLS-id_36255032	383.49	RVTSBAKAUHHXNF-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-103974
s1c2CCCCCc2cc1NC(=O)c1sc2nc(N)c(cc2c1N)C#N	PC-id_24101550	383.49	HIKBLFIOYPEJDG-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-103975
S(c1n2CCCCCc2nn1)CC(=O)/C(=C/1Sc2c(N1)cccc2)/C#N	PC-id_53529201	383.49	RVTSBAKAUHHXNF-ATVHPVEESA-N	00000010100000100101000001000010000000000000000000000000	31-01-103976
S(c1n2CCCCCc2nn1)CC(=O)/C(=C
/Sc2c(N1)cccc2)/C#N	PC-id_7877609	383.49	RVTSBAKAUHHXNF-SFQUDFHCSA-N	00000010100000100101000001000010000000000000000000000000	31-01-103977
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cnc(nc1)N(C)C	PC-id_72923307,ZINC22_91943564,MCULE-4511067897,EMOLS-id_46087179	383.491	KFYFWBVQCQXKOW-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-103978
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cnc(nc1)NCC	ZINC22_91656636,EMOLS-id_46062479,PC-id_72889296,MCULE-1457918417	383.491	VRDWIJLJHTYGBZ-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-103979
c1(cn2c(CCN(C/C=C(C)/C)CC2)n1)C(=O)N1CCCC(C1)c1[nH]cnn1	MCULE-8613205851,EMOLS-id_331140873	383.491	ZUJSTNJTPITTFZ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-103980
c1(CN(C)C(=O)NC2CCCN(c3ncccn3)C2)c2CCCCCc2[nH]n1	EMOLS-id_222762973,MCULE-9112707591	383.491	CFVILXXUZHAVMD-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-103981
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3cc([nH]n3)CC(C)C)C2)n1	PC-id_90650579,MCULE-1288216911,EMOLS-id_50537733	383.491	HBHGYIUEMOAYQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103982
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3cn(nc3C)CCC)C2)n1	EMOLS-id_55671891,PC-id_91784180,MCULE-8383540454	383.491	SZSCVSLOTXXEKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103983
CC1CCN(CCN1Cc1ccccc1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164938	383.491	QQSCQQWYCXLREM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103984
CC1CN(CCCN1C(=O)NC1CCn2c(CC1)nnn2)Cc1ccccc1	EMOLS-id_102163456	383.491	YVCBHTLYGNNHEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103985
CC1CN(CCN(C1)C(=O)NC1CCn2c(CC1)nnn2)Cc1ccccc1	EMOLS-id_102106952	383.491	IEWMRFQZMQUGJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-103986
Cc1nc(C)nc(c1)N1CCC(CC1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101722698	383.491	BYQZRLSYSVMOHE-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-103987
Cc1nc(C(=O)N2CCCc3n[nH]cc3C2)nc(N2CC[C@@H](N(C)C)C2)c1C	PC-id_146110986,EMOLS-id_323951837,ZINC22_1875404011,MCULE-9358933335	383.491	PTWNDPSQROBLEC-MRXNPFEDSA-N	00000010100000100101100000000010000000000000000000000000	31-01-103988
CCc1ncnc(c1)N1CCCC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101726967,MCULE-1405889196	383.491	GWAHDWWPTWQNRG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-103989
CCc1ncnc(c1)N1CCC(CC1)NC(=O)N1CCCc2c(C1)cnn2C	MCULE-4141504649,EMOLS-id_101719242	383.491	IPGVWPXOUZJAEW-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-103990
CC(C)Cc1cc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)n[nH]1	ZINC22_220501591,PC-id_100059804	383.491	HBHGYIUEMOAYQH-HXUWFJFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103991
CC(C)Cc1cc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)n[nH]1	ZINC22_220501652,PC-id_100059805	383.491	HBHGYIUEMOAYQH-FQEVSTJZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103992
CC(=CCN1CCc2nc(C(=O)N3CCC[C@H](c4nc[nH]n4)C3)cn2CC1)C	ZINC22_1875241743	383.491	ZUJSTNJTPITTFZ-INIZCTEOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-103993
CC(=CCN1CCc2nc(C(=O)N3CCC[C@@H](c4nc[nH]n4)C3)cn2CC1)C	ZINC22_1875241744	383.491	ZUJSTNJTPITTFZ-MRXNPFEDSA-N	00000000100010000101100000000010000000000000000000000000	31-01-103994
CCCn1cc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)c(C)n1	PC-id_100102427,ZINC22_222510331	383.491	SZSCVSLOTXXEKG-HXUWFJFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103995
CCCn1cc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)c(C)n1	ZINC22_230579245	383.491	SZSCVSLOTXXEKG-FQEVSTJZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-103996
CN1CCC(CNC(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)CC1	MCULE-2207455104,PC-id_121511993,EMOLS-id_177497736,ZINC22_426690524	383.491	FNAAQOCYOBYHCV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-103997
CN1CCN(CC1)c1ccc(cn1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101717568	383.491	OEKMAUOIUXHTKC-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-103998
CN1CCN(CC1)c1ncccc1CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101714462	383.491	JYNBVXOFDCIJFG-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-103999
CN1CCN(CC1)c1nccc(c1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101724792	383.491	YISQIEQVJHECJO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-104000
CN1CCN(CC1)c1ncccc1NC(=O)CCc1nn2c(c1)CNCCC2	EMOLS-id_43158906,PC-id_70769323,MCULE-5392899200	383.491	DYRUCJNHESQQFV-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-104001
CN(Cc1n[nH]c2c1CCCCC2)C(=O)N[C@H]1CCCN(c2ncccn2)C1	ZINC22_670446016	383.491	CFVILXXUZHAVMD-HNNXBMFYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-104002
CN(Cc1n[nH]c2c1CCCCC2)C(=O)N[C@@H]1CCCN(c2ncccn2)C1	ZINC22_670446019	383.491	CFVILXXUZHAVMD-OAHLLOKOSA-N	00000000100010100101100000000010000000000000000000000000	31-01-104003
CN=C(N1CCC(C1)Oc1ccccn1)NCCc1nnc2n1CCCCC2	PC-id_120066737	383.491	AXORRFIRPMSVPV-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-104004
CN=C(N1CCN(CC1)c1ccccc1O)NCc1nnc2n1CCCCC2	PC-id_111185680	383.491	PRNBLFUHYDDOJJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104005
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1)C(=O)N(C)C	PC-id_111873579	383.491	ZDINDXXYYARYSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104006
CN=C(NCc1nnc2n1CCCCC2)NCCc1cccc(c1)C(=O)NC	PC-id_111631554	383.491	RQYNKOFECFSCQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104007
O=C(N1CCCn2c(C1)cc(n2)CNc1nccc(n1)C1CCCC1)N(C)C	EMOLS-id_44444295,PC-id_70764268,MCULE-1209148046	383.491	ZQENNCPVYCUIBI-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-104008
O=C(N1CCN(CC1)Cc1cccnc1)NCCc1n2CCCCCc2nn1	PC-id_52215948	383.491	UAGFSIHGBYSHKU-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-104009
O=C(N1CCN(C(C1)(C)C)Cc1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102163210	383.491	BGMIOUCJFVXWCW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104010
O=C(Nc1ccc(cc1C)N1CCCCC1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102003351	383.491	JFARXPKNIVPALJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104011
O=C(Nc1ccc(cc1C)N1CCCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102012661	383.491	UIARRZKSJITBNA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104012
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1ncccn1	PC-id_111206608	383.494	YWIPZOIXDXWCKL-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-104013
C[C@@H]1OCCCN(CCCc2c(C1)cc(s2)C(=O)O)C(=O)OC(C)(C)C	SCHEMBL18609479	383.502	OUJIZYZAMICPKA-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104014
c1(NC(=O)C2CC2c2ccccc2)sc2c(CCCCCC2)c1C(=O)OC	MCULE-1272021053,SPECS-id_AK-968/15252189,PC-id_2930863,EMOLS-id_2440041	383.504	IMBHSPNBCJMAOM-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-104015
c1(NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c(CCCCC2)c1C(=O)O	MCULE-2758479836	383.504	QILVKVPINTXXEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104016
c1(NC(=O)C=Cc2ccc(cc2)C)sc2c(CCCCCC2)c1C(=O)OC	MCULE-3840776599,PC-id_5058489	383.504	HFYGQPXZSQCOHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104017
c1(NC(=O)C=Cc2ccccc2)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_4106929,MCULE-1351839247	383.504	KSINMGYWFPMNKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104018
c1(NC(=O)C=Cc2ccccc2)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-8878639274,PC-id_4344346	383.504	BDMRTTSQNFPVPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104019
CC(C)c1ccc(/C=C/C(=O)Nc2sc3CCCCCc3c2C(=O)O)cc1	PC-id_28860498,EMOLS-id_179129739	383.504	QILVKVPINTXXEF-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104020
CCCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCCC2	EMOLS-id_26496663,ZINC22_2736217,CoCoCo_5815027,TIMTEC271447,SPECS-id_AK-968/11840201,PC-id_6011570	383.504	KSINMGYWFPMNKK-BUHFOSPRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104021
CCCOC(=O)c1c(NC(=O)/C=Cc2ccccc2)sc2c1CCCCC2	PC-id_97636237,CoCoCo_5815028	383.504	KSINMGYWFPMNKK-YPKPFQOOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104022
CCOC(=O)c1c(NC(=O)/C=Cc2ccccc2)sc2c1CCCCCC2	CoCoCo_5820815	383.504	BDMRTTSQNFPVPN-PFONDFGASA-N	00000000100000110100000000000010000000000000000000000000	31-01-104023
CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCCCC2	ZINC22_2085924,PC-id_1744250,EMOLS-id_26498213,SPECS-id_AK-968/12971149,TIMTEC71445,CoCoCo_5820814	383.504	BDMRTTSQNFPVPN-CCEZHUSRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104024
COc1ccc(cc1)NS(=O)(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102493961	383.504	BZPBQUOWYWSAFQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-104025
COC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)C)sc2c1CCCCCC2	CoCoCo_5824421	383.504	HFYGQPXZSQCOHG-YPKPFQOOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104026
COC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc2c1CCCCCC2	ZINC22_2087467,SPECS-id_AK-968/15256797,CoCoCo_5824420,PC-id_1745460,TIMTEC190054,EMOLS-id_26499087	383.504	HFYGQPXZSQCOHG-BUHFOSPRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104027
COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCCCCC2	CoCoCo_895833,ZINC22_672727,PC-id_1011941	383.504	IMBHSPNBCJMAOM-IAGOWNOFSA-N	00100000100000110100100000000010000000000000000000000000	31-01-104028
COC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCCCCC2	CoCoCo_895834,PC-id_1011939,ZINC22_672724	383.504	IMBHSPNBCJMAOM-DLBZAZTESA-N	00100000100000110100100000000010000000000000000000000000	31-01-104029
COC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCCCCC2	CoCoCo_895835,PC-id_1011940,ZINC22_672726	383.504	IMBHSPNBCJMAOM-SJORKVTESA-N	00100000100000110100100000000010000000000000000000000000	31-01-104030
COC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCCCC2	PC-id_1011937,ZINC22_672722,CoCoCo_895832	383.504	IMBHSPNBCJMAOM-IRXDYDNUSA-N	00100000100000110100100000000010000000000000000000000000	31-01-104031
O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	ZINC22_25071555,MCULE-1231277729,PC-id_24615484,EMOLS-id_35690166	383.504	LFTSFMIBRWYEOI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-104032
s1c2CCCCCc2cc1C(=O)OCc1ccc(C(=O)N2CCCC2)cc1	PC-id_32971361	383.504	WWNGCDXFGLGGQW-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-104033
s1c2CCCCCc2cc1C(=O)OC(C(=O)N1C(Cc2c1cccc2)C)C	PC-id_78474823	383.504	GPZHWRAZZURZPQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-104034
s1c2CCCCCc2cc1C(=O)OC(C(=O)N1CCCC1)c1ccccc1	PC-id_78528168	383.504	QQOBCTCSERXXIH-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-104035
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)N1CCCC1)c1ccccc1	PC-id_7703733	383.504	QQOBCTCSERXXIH-FQEVSTJZSA-N	00000010100000110100000000000010000000000000000000000000	31-01-104036
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)N1CCCC1)c1ccccc1	PC-id_7703736	383.504	QQOBCTCSERXXIH-HXUWFJFHSA-N	00000010100000110100000000000010000000000000000000000000	31-01-104037
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)N1[C@@H](Cc2c1cccc2)C)C	PC-id_7352010	383.504	GPZHWRAZZURZPQ-HUUCEWRRSA-N	00000010100000100100000000001010000000000000000000000000	31-01-104038
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)N1[C@H](Cc2c1cccc2)C)C	PC-id_7352011	383.504	GPZHWRAZZURZPQ-LSDHHAIUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-104039
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)N1[C@@H](Cc2c1cccc2)C)C	PC-id_7352012	383.504	GPZHWRAZZURZPQ-CABCVRRESA-N	00000010100000100100000000001010000000000000000000000000	31-01-104040
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)N1[C@H](Cc2c1cccc2)C)C	PC-id_7352013	383.504	GPZHWRAZZURZPQ-GJZGRUSLSA-N	00000010100000100100000000001010000000000000000000000000	31-01-104041
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(cc1)C)C(=O)OCC	PC-id_3250530	383.504	AGFUQGLGBUETNI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104042
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(cc1)C)C(=O)OCC	PC-id_6367361	383.504	AGFUQGLGBUETNI-BUHFOSPRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104043
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccccc1)C(=O)OC(C)C	PC-id_4192514	383.504	PRPPZFQJCDEHSW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104044
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccccc1)C(=O)OC(C)C	PC-id_6032964	383.504	PRPPZFQJCDEHSW-BUHFOSPRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104045
s1c(NC(=O)C2C(C2)c2ccccc2)c(c2c1CCCCC2)C(=O)OCC	PC-id_4104633	383.504	YRGXZKZSAZBYRY-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-104046
c1(NC(=O)CCC(=O)N(CCOC)CCOC)sc2c(CCCCC2)n1	MCULE-6344649929,EMOLS-id_334754784	383.506	VQFIFACKMBZSPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104047
c1(c2CCCCCc2sc1NC(=O)c1cccnc1)C(=O)N1CCCCC1	EMOLS-id_1230893,PC-id_1242275,MCULE-4506211841,ZINC22_1049790,BAS-00486691,CoCoCo_81714	383.507	WRSNWZHLHDJVCU-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-104048
c1(c2CCCCCc2sc1NC(=O)c1ccncc1)C(=O)N1CCCCC1	ChEMBL-DNDi_CHEMBL5576918,Chemmine_26577,MCULE-4286307445,BAS-00486690,CK1466269,EMOLS-id_1230891,PC-id_2853978,ZINC22_3100262,CoCoCo_81713	383.507	JLZUBEYFTBOWPR-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-104049
c1(NC(=O)Cc2c3ccccc3n(CCOC)c2)sc2c(CCCCC2)n1	MCULE-6286324688,EMOLS-id_323358571	383.507	RYZZKQXQOSCELV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-104050
c1(NC(=O)COc2cccc3c2ccn3C(C)C)sc2c(CCCCC2)n1	MCULE-1919031295,EMOLS-id_323375072	383.507	VIDHERHHUJJXMN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-104051
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2cc(C)cc(C)c2)C1	EMOLS-id_323388064,MCULE-5258360912	383.507	ZHMJZZCGVCDNOY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-104052
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(CCc2ccccc2)C1	PC-id_43041015,MCULE-2750455294,EMOLS-id_323403918	383.507	LZAHKYKRKQKUER-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104053
CC1CC(C1)C(=O)N1CCc2nc(sc2CC1)C(=O)NCc1ccccc1	EMOLS-id_313791546,ZINC22_1565554083	383.507	JRODFBUZRLWXPL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-104054
Cc1ccc(cc1)CN1CC(CC1=O)C(=O)Nc1nc2c(s1)CCCCC2	MCULE-6234303751,PC-id_42933519,EMOLS-id_44038020	383.507	TYAGALUBOBEKOQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104055
Cc1ccc(C)c(c1)N1CC(CC1=O)C(=O)Nc1nc2CCCCCc2s1	MCULE-9401822142,EMOLS-id_323383209	383.507	JQXYQXPPKJDHQW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-104056
Cc1ccc(CN2C[C@@H](C(=O)Nc3nc4c(s3)CCCCC4)CC2=O)cc1	PC-id_29859294,CoCoCo_4546125,ZINC22_21902064	383.507	TYAGALUBOBEKOQ-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104057
Cc1ccc(CN2C[C@H](C(=O)Nc3nc4c(s3)CCCCC4)CC2=O)cc1	PC-id_29859297,ZINC22_21902067,CoCoCo_4546126	383.507	TYAGALUBOBEKOQ-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104058
CCCC(N1Cc2ccccc2C1=O)C(=O)Nc1nc2CCCCCc2s1	MCULE-6757168880,EMOLS-id_323318320	383.507	NATWWKCLUQWFQT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104059
CC(C)C(N1Cc2ccccc2C1=O)C(=O)Nc1nc2CCCCCc2s1	MCULE-9885749661,EMOLS-id_323293222	383.507	PQYDSVBRLCJSCZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104060
CC(N1CC(CC1=O)C(=O)Nc1nc2CCCCCc2s1)c1ccccc1	MCULE-3993743824,EMOLS-id_323384250	383.507	AWBBIUKXMTUDLJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104061
CCOc1ccccc1NC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	PC-id_45354009,EMOLS-id_43982026,MCULE-9164736845	383.507	LFZSUNAGSIQEJD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104062
CCOc1ccccc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25499624,CoCoCo_4225019,ZINC22_12772176	383.507	LFZSUNAGSIQEJD-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104063
CCOc1ccccc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_12772181,CoCoCo_4225020,PC-id_25499628	383.507	LFZSUNAGSIQEJD-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104064
CN(NC(=O)c1c(NC(=O)C=Cc2ccccc2)sc2c1CCCCC2)C	PC-id_92046519	383.507	VREGJGPMAYRXPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104065
COc1ccc(C)cc1N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4224832,PC-id_25360209,ZINC22_12563127	383.507	FTMBEXJAWIRRAO-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104066
COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25360208,CoCoCo_4224831,ZINC22_12563126	383.507	FTMBEXJAWIRRAO-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104067
COc1cccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)c1	PC-id_2698258,CoCoCo_3578398,CoCoCo_3578399,EMOLS-id_3434211,ZINC22_3584162,MCULE-4272338531	383.507	RDZFNBPBHQFOEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104068
N#Cc1c(NC(=O)C(Nc2cc(C)ccc2OC)C)sc2c1CCCCC2	EMOLS-id_16719439,MCULE-7630285153,PC-id_45355400	383.507	FTMBEXJAWIRRAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104069
o1nc(c2CCCCCc12)C(=O)NCCC[NH+]1CCN(CC1)c1ccccc1	PC-id_40975985	383.507	QEYQKHKICQQSAQ-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-104070
O=C(c1ccc(cc1)CN1CCCC1=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98559727	383.507	NPLJLESDGYZCLD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104071
O=C(c1ccccn1)N1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1	CoCoCo_4763460,MCULE-3127803334,ZINC22_12849737,EMOLS-id_24130451,PC-id_25551052	383.507	VEXYHBGYEPWMLH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-104072
O=C(c1sc2c(c1)CCCCCC2)N1CCN(CC1)C(=O)c1cccnc1	EMOLS-id_97778739	383.507	KXJHASJCODUQKB-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-104073
O=C(c1sc2c(c1)CCCCCC2)Nc1ccccc1CN1CCNC1=O	EMOLS-id_98975101	383.507	QTCJPJXYMMNBJT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104074
O=C(Cc1ccccc1)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1	ZINC22_96146999,PC-id_97442523,EMOLS-id_44303966	383.507	FDPQPZFKACMNEG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104075
O=C(C(N1CCCc2c(C1)ccs2)C)Nc1cccc(c1)N1CCCC1=O	EMOLS-id_318205602	383.507	ARCBJTRQCRBOIT-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-104076
O=C(N1CCC2(C1)OCc1c2cccc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101106609	383.507	LRVVXPYQYZXPED-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-104077
O=C(N1CCCC1)Nc1ccccc1NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98284836	383.507	PBQYHGLLIUQKOP-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-104078
O=C(NC1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1)c1cccnc1	EMOLS-id_32097592,ZINC22_58144940,PC-id_47076421,MCULE-7043222661	383.507	HKQWYZRDXHVEOO-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-104079
s1c2c(CCCCC2)cc1C(=O)N1CCC(CC1)C(=O)Nc1ncccc1	PC-id_55808471	383.507	KBQFOQVWHWRLGY-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-104080
s1c2CCCCCc2cc1C(=O)NN=Cc1ccc(N2CCOCC2)cc1	PC-id_78610995	383.507	PRTCMCDRQGKXEY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104081
s1c2CCCCCc2c(c1NC(=O)CN(Cc1ccc(OC)cc1)C)C#N	PC-id_27197864	383.507	GFIYSGYJMLLJCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104082
s1c2CCCCCc2c(c1NC(=O)CN(Cc1c(OC)cccc1)C)C#N	PC-id_4818769	383.507	VBUXHDPYIOJAOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104083
s1c2CCCCCc2c(c1NC(=O)CN(CCOc1ccccc1)C)C#N	PC-id_27203193	383.507	HZYDOUQWMYCNRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104084
s1c2CCCCCc2nc1NC(=O)C1N(CCC1)C(=O)Cc1ccccc1	PC-id_56071225	383.507	PICWXZKJVIKZOD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104085
s1c2CCCCCc2nc1NC(=O)C(N1CCCCC1=O)c1ccccc1	PC-id_56574842	383.507	NSSRCEXKVRGVFF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104086
s1c2CCCCCCc2nc1NC(=O)c1cc2CCN(c2cc1)C(=O)CC	PC-id_56021600	383.507	HBGFRISSEAKZRR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104087
s1c2CCCCCCc2nc1NC(=O)C1CCC(NC1=O)c1ccccc1	PC-id_76294577	383.507	SPISYUVSSHNPCO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104088
s1c2CCCCCCc2nc1NC(=O)C1CN(C(=O)C1)Cc1ccccc1	PC-id_56021588	383.507	CSRBGJZYSXIRDB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104089
s1c2CCCCCCc2nc1NC(=O)c1c(N(C(=O)C2CC2)C)cccc1	PC-id_56571579	383.507	ZGWOYJMBXLQVOE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-104090
c1(C(CC(C)C)NC(=O)C2CCS(=O)(=O)CC2)nnc2CCNCCn12	EMOLS-id_36432794,MCULE-3162327091,PC-id_56706597	383.509	OUDDWENTDLBOLS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104091
CC1CCS(=O)(=O)CCN1C(=O)NCCCc1nnc2n1CCCCC2	PC-id_136536445,EMOLS-id_111783965,MCULE-3464125035	383.509	YRWCCUHDCUVODZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104092
CCC1CN(CC(S1(=O)=O)C)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_98818007	383.509	DMAOLKUUUWPEME-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104093
CCC(c1nnc2n1CCCCC2)NC(=O)CN(C1CCS(=O)(=O)C1)C	EMOLS-id_100909203	383.509	PUZHSJAFOGWRDR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-104094
CC(C)C[C@H](NC(=O)C1CCS(=O)(=O)CC1)c1nnc2n1CCNCC2	PC-id_95203046,ZINC22_67695700	383.509	OUDDWENTDLBOLS-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104095
CC(C)C[C@@H](NC(=O)C1CCS(=O)(=O)CC1)c1nnc2n1CCNCC2	ZINC22_67695704,PC-id_95203047	383.509	OUDDWENTDLBOLS-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104096
CC[C@@H](C(=O)NCc1cc2n(n1)CCCN(S(=O)(=O)C)C2)N1CCCC1	PC-id_97128363,ZINC22_91620855	383.509	WBZDDDUOVHLAHN-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-104097
CC[C@H](C(=O)NCc1cc2n(n1)CCCN(S(=O)(=O)C)C2)N1CCCC1	ZINC22_91620856,PC-id_97128364	383.509	WBZDDDUOVHLAHN-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-104098
CCC(N1CCCC1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_46055963,PC-id_72880546,MCULE-8569523481	383.509	WBZDDDUOVHLAHN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-104099
CC(CN1CCCC1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_72853557,EMOLS-id_46036627,MCULE-2277430364	383.509	PNHIOVQKINHGGA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-104100
C[C@@H](CN1CCCC1)C(=O)NCc1cc2n(n1)CCCN(S(=O)(=O)C)C2	PC-id_97115705,ZINC22_91390883	383.509	PNHIOVQKINHGGA-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-104101
C[C@H](CN1CCCC1)C(=O)NCc1cc2n(n1)CCCN(S(=O)(=O)C)C2	PC-id_97115706,ZINC22_91390884	383.509	PNHIOVQKINHGGA-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-104102
CCN1CCC(CC1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_91872160,MCULE-3689678231,EMOLS-id_46081511,PC-id_72915507	383.509	ABGNBWVSWLMJEQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104103
COC(=O)c1c(NC(=O)CSc2nncs2)sc2c1CCCCC2	ZINC22_3389580,EMOLS-id_2875676,PC-id_2507761,MCULE-7251887407,CoCoCo_3128258,CHEMBL1359102	383.509	RNTLRNTTWCPRGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104104
O=C(N1CCS(=O)(=O)C(CC1)(C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_101239235	383.509	MUMFPOXAJIHKPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104105
O=S(=O)(N1CCOCC1)C1CCCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_99102398	383.509	PZRVABCGRJOQJK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104106
c12CN(CCCn1nc(C#N)c2)C(=O)NCCCSCc1cccc(C)c1	MCULE-7360658041,EMOLS-id_177492835,ZINC22_584901676	383.51	JFENTTJPPDZCNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104107
c12nc(cc(C(=O)Nc3sc4c(CCCCC4)n3)c1c(nn2C)C)C(C)C	EMOLS-id_320480049,MCULE-4376497530	383.51	RVRRZMGHXHXVRE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104108
c1(C(=O)NC(CCSC)c2[nH]c3c(cccc3)n2)c2CCCCCc2n[nH]1	EMOLS-id_301053491,MCULE-6876855389,PC-id_75357035,EMOLS-id_50400622	383.51	CVJVXVFPJOQWDG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104109
c1(C(=O)N[C@@H](CCSC)c2[nH]c3c(cccc3)n2)c2CCCCCc2[nH]n1	MCULE-5994655082,PC-id_75490240,EMOLS-id_49248811,ZINC22_96231936,STOCK7S-47189	383.51	CVJVXVFPJOQWDG-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104110
Cc1cc2nc(C)c(CCC(=O)Nc3nc4c(s3)CCCCC4)c(C)n2n1	CoCoCo_4546204,EMOLS-id_25653790,MCULE-6833030197,ZINC22_22375685,PC-id_30255210	383.51	DGKKBYXFDGYTNO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104111
Cc1scc(n1)COc1ccc(cc1)CNCc1nnc2n1CCCCC2	PC-id_45850504,MCULE-8349210770,CoCoCo_4095140	383.51	MZXQCYRDVMDTCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104112
CCc1[nH+]c(C)cc(n1)N1CCN(CC1)C(=O)c1n[nH]c2c1CCCCCC2	GD-id_ZINC19523139	383.51	VUPVCRKDAMDIEX-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-104113
CCC(c1nnc2n1CCCCC2)NC(=O)[C@@H]1CSC(=N1)c1ccccc1	EMOLS-id_316547340	383.51	HJWLZCOGQUBWBN-LYKKTTPLSA-N	00000011100000110101100000000010000000000000000000000000	31-01-104114
C[C@@H](SCC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1nc2ccccc2[nH]1	ZINC22_596004916	383.51	SENYBOZLJPURFU-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104115
C[C@H](SCC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1nc2ccccc2[nH]1	ZINC22_596004917	383.51	SENYBOZLJPURFU-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104116
CSCC[C@@H](NC(=O)c1n[nH]c2c1CCCCC2)c1nc2ccccc2[nH]1	PC-id_99830467,ZINC22_190321273	383.51	CVJVXVFPJOQWDG-QGZVFWFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104117
N#Cc1c(NC(=O)CN2CCCc3c(C2)cnn3C)sc2c1CCCCC2	EMOLS-id_101741794	383.51	GMKNRUIUWKTSQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104118
N#Cc1c(NC(=O)CN2CCCC(C2)c2ncc[nH]2)sc2c1CCCCC2	EMOLS-id_100038303	383.51	XXLFYNJYSKRTSL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-104119
O=C([C@@H]1CSC(=N1)c1ccccc1)NCCCc1nnc2n1CCCCC2	EMOLS-id_316578313	383.51	PSGDHHLKYFAHBY-INIZCTEOSA-N	00000011100000110101100000000010000000000000000000000000	31-01-104120
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)CSC(c1nc2c([nH]1)cccc2)C	MCULE-2847478235,PC-id_145906931,EMOLS-id_320364391	383.51	SENYBOZLJPURFU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104121
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc2c(c1)sc(n2)C(C)(C)C	EMOLS-id_101955162	383.51	IIRQJNKLQQRJLZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104122
O=C(N1CC[NH+](CC1)Cc1n2CCCCCc2nn1)c1ccc(N(C)C)cc1	PC-id_40791486	383.51	MUXATUJYVZQHIS-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-104123
O=C(N1CC[NH+](CC1)Cc1n2CCCCCc2nn1)c1cc(N(C)C)ccc1	PC-id_40791058	383.51	JQWSHOSAZSJASB-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-104124
s1c2CCCCCCc2nc1NC(=O)c1cc2c(n(nc2)C(C)C)nc1C	PC-id_56020955	383.51	GLQOJYHIXMHHBB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104125
s1c(n2cccc2)c(C(=O)NCCc2n3CCCCCc3nn2)c(c1C)C	PC-id_55553551	383.51	WNVRLFSPVDSIAH-UHFFFAOYSA-N	00000000110100000101100000000010000000000000000000000000	31-01-104126
s1c(nc2c1cccc2)CCCCC(=O)NCc1n2CCCCCc2nn1	PC-id_51266338	383.51	DOIKRGHHEUODOT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104127
s1c(nc2c1cccc2)CCCC(=O)NCCc1n2CCCCCc2nn1	PC-id_55534714	383.51	NHGPAXJZIVTVMZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104128
S(c1n2CCCCCc2nn1)CC(=O)N(c1cc(c(cc1)C)C)CCC#N	PC-id_43036578	383.51	LPFZQLFPPADKLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104129
S(c1n2CCCCCc2nn1)CC(=O)N(c1cc(cc(c1)C)C)CCC#N	PC-id_7876795	383.51	ITLOQCVELIMFIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104130
S=c1n2CCCCCc2nn1CN(C(c1ccc(n2ncnc2)cc1)C)C	PC-id_84970555	383.514	ZZYCIVFMSLMUCU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104131
S=c1n2CCCCCc2nn1CN([C@H](c1ccc(n2ncnc2)cc1)C)C	PC-id_9284958	383.514	ZZYCIVFMSLMUCU-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104132
S=c1n2CCCCCc2nn1CN([C@@H](c1ccc(n2ncnc2)cc1)C)C	PC-id_9284960	383.514	ZZYCIVFMSLMUCU-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104133
CC(C)c1cccc2-c(c(cc2ON2C(CCCC2(C)C)(C)C)C(=O)OC)c1	PC-id_134848219	383.524	KTFRNWHKZAYHND-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-104134
O=C(c1ccc(cc1)CC1CCCCCc2c1nnn2C(C)C)OC(C)(C)C	SCHEMBL21017425,PC-id_138649113	383.527	UYWZPZLIWCABFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104135
s1c2CCCCCc2cc1C(=O)OCc1nc(sc1)c1ccc(cc1)C	PC-id_7352071	383.527	QZRREHGETLZWSA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104136
c1(NC(=S)NN2CCOCC2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_1295945,TIMTEC511567,EMOLS-id_2026313,MCULE-5438681529,ZINC22_1118842,CoCoCo_990782	383.529	VUIGKXDGOSUROL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104137
s1c2CCCCCCc2cc1C(=O)NNC(=S)NCCCC(=O)OC	PC-id_9094470	383.529	SGGHZJBRRSPISC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-104138
s1c2c(CCCCCC2)c(c1NC(=S)NN1CCOCC1)C(=O)OC	PC-id_19653751	383.529	PSDACSXMXZYFIW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104139
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(cc3)CC)CCn12	MCULE-8984306964,EMOLS-id_20627511,PC-id_45223086,ChEMBL-DNDi_CHEMBL58153551	383.53	DRUUVFPEBXTOLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104140
c1(C(CC(C)C)NC(=O)C)nnc2CCN(CCCc3ccccc3)CCn12	ChEMBL-DNDi_CHEMBL35911372,PC-id_45202343,MCULE-5512259767,EMOLS-id_232735723	383.53	NFGMZWKPRVJIIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104141
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(cc3)CC)CCn12	MCULE-5718158729,PC-id_45930281,EMOLS-id_232731161	383.53	CCVSAEMFWZQIRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104142
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(c(C)c3)C)CCn12	MCULE-3358503085,PC-id_45210579,EMOLS-id_20574477	383.53	GUQQNEQIRAKYRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104143
c1(c(C)nc(c2ccc(cc2)C)s1)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323299351,MCULE-3253054639	383.53	UKIAXLRZHKKBFM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104144
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(CC(CC)CC)CCn12	MCULE-5524291886,PC-id_45175173,EMOLS-id_20420591	383.53	CQXWDCZZNNUBKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104145
c1(NC(=O)Cc2csc(c3ccc(cc3)C)n2)sc2c(CCCCC2)n1	MCULE-4457095340,EMOLS-id_320535359	383.53	YMHKOSMOHJWSOR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104146
c1(NC(=O)Cc2csc(c3cccc(C)c3)n2)sc2c(CCCCC2)n1	EMOLS-id_320471886,MCULE-9469905644	383.53	KSOPNFXOMHFMCK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104147
CCc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)cc1	CoCoCo_1459459,PC-id_26326909,CoCoCo_1459460,ZINC22_14968222	383.53	DRUUVFPEBXTOLJ-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104148
CCc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)cc1	CoCoCo_1459461,PC-id_26326912,ZINC22_14968226,CoCoCo_1459462	383.53	DRUUVFPEBXTOLJ-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104149
CCc1ccc(nc1)CN(Cc1nn2c(c1)CN(CCC2)C[C@H]1COCC1)C	PC-id_95727645	383.53	SPDSBWRRBRQCQJ-IBGZPJMESA-N	00000010100000101101000000000010000000000000000000000000	31-01-104150
CCc1ccc(nc1)CN(Cc1nn2c(c1)CN(CCC2)C[C@@H]1COCC1)C	PC-id_98771501	383.53	SPDSBWRRBRQCQJ-LJQANCHMSA-N	00000010100000101101000000000010000000000000000000000000	31-01-104151
CCC(c1nnc2n1CCCCC2)NCC1(O)CCN(C1)Cc1ccccc1	MCULE-6169006734,EMOLS-id_316376827	383.53	KWSAYRSINSSNJC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104152
CCC(CC)CN1CCc2nnc([C@H](C)NC(=O)c3ccccc3C)n2CC1	CoCoCo_1159570,CoCoCo_1159569,ZINC22_12166112,PC-id_42440928	383.53	CQXWDCZZNNUBKQ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104153
CCC(CC)CN1CCc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2CC1	PC-id_42440922,CoCoCo_1159568,ZINC22_12166106,CoCoCo_1159567	383.53	CQXWDCZZNNUBKQ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104154
CCC(C)CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3C)n2CC1	EMOLS-id_20442695,PC-id_45180312,MCULE-8423982517	383.53	IFKOVUNNMDCMDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104155
CC(C)CCN1CCc2nnc(C(C)NC(=O)CCc3ccccc3)n2CC1	MCULE-7966834159,EMOLS-id_20449491,PC-id_45181837	383.53	BJQZWOUCANHSGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104156
CC(C)CCN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1	CoCoCo_1199563,ZINC22_14881449,PC-id_26277027,CoCoCo_1199562	383.53	BJQZWOUCANHSGO-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104157
CC(C)CCN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1	CoCoCo_1199565,ZINC22_14881450,CoCoCo_1199564,PC-id_26277029	383.53	BJQZWOUCANHSGO-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104158
CC(C)C(=O)NCCc1nnc2CCN(Cc3ccc(cc3)C(C)C)CCn12	ChEMBL-DNDi_CHEMBL26803805,MCULE-2860281628,PC-id_29086452,ZINC22_20599730,CoCoCo_1263547,EMOLS-id_20494607,CoCoCo_1263546	383.53	ZASIMFBHHWGDEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104159
CC[C@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3C)n2CC1	CoCoCo_1190321,CoCoCo_1190319,ZINC22_14878839	383.53	IFKOVUNNMDCMDF-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104160
CC[C@@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3C)n2CC1	CoCoCo_1190322,ZINC22_14878838,CoCoCo_1190320	383.53	IFKOVUNNMDCMDF-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104161
CC(C)Oc1cccc(CN2CCN(Cc3nnc4n3CCCCC4)CC2)c1	MCULE-8178657766,EMOLS-id_32026672,PC-id_47053442,ZINC22_48264612	383.53	DZULIVMYKDDFTR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104162
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(C)c(C)c1)CC2)C(C)C	CoCoCo_1380048,ZINC22_14991071,CoCoCo_1380049	383.53	GUQQNEQIRAKYRT-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104163
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(C)c(C)c1)CC2)C(C)C	CoCoCo_1380050,CoCoCo_1380051,ZINC22_14991070	383.53	GUQQNEQIRAKYRT-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104164
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(CC)cc1)CC2)C(C)C	ZINC22_20782793	383.53	CCVSAEMFWZQIRT-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104165
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(CC)cc1)CC2)C(C)C	ZINC22_20782796	383.53	CCVSAEMFWZQIRT-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104166
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(CCCc1ccccc1)CC2	CoCoCo_1327203,ZINC22_12158976,CoCoCo_1327202	383.53	NFGMZWKPRVJIIJ-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104167
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(CCCc1ccccc1)CC2	ZINC22_12158980,CoCoCo_1327204,CoCoCo_1327205	383.53	NFGMZWKPRVJIIJ-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104168
NCC1CCC(CC1)C(=O)N1C/C(=CC/C(=CC=C)/C)/Nc2c(C1)cnn2C	PC-id_143188751	383.53	FQTBYNNQFSKHMF-MLAAUGOLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104169
O1CC(CN2CCCn3nc(cc3C2)CN(Cc2ncc(cc2)CC)C)CC1	PC-id_56913620	383.53	SPDSBWRRBRQCQJ-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-104170
O1C(CN2CCCn3nc(cc3C2)CN(CCc2ncccc2)C)CCCC1	PC-id_56915754	383.53	UWPYMLVBZUZXLS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-104171
O=C(Nc1cccc(n2cc[nH]c2=S)c1)c1cc2c(s1)CCCCCC2	CoCoCo_4763309,ZINC22_12528386,PC-id_25337488,EMOLS-id_75947382	383.53	QHPJABVDRRMZHY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104172
s1c2CCCCCCc2cc1C(=O)NCc1scc(n1)c1ccncc1	PC-id_56430639	383.53	NCXNVXKEOQHDQO-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-104173
Cc1ccsc1S(=O)(=O)N[C@@H](CC(C)C)c1nnc2n1CCNCC2	ZINC22_67880088,PC-id_95220893	383.532	XEQGIXRHYKTEHW-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-104174
Cc1ccsc1S(=O)(=O)N[C@H](CC(C)C)c1nnc2n1CCNCC2	ZINC22_67880090,PC-id_95220894	383.532	XEQGIXRHYKTEHW-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-104175
CC(C(c1nnc2n1CCN(CC2)Cc1cccs1)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL68784160,PC-id_45167156	383.532	NGVHMMTZNULIIY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-104176
CC(C(c1nnc2n1CCN(CC2)Cc1cscc1)NS(=O)(=O)C)C	PC-id_45167334,ChEMBL-DNDi_CHEMBL82041299	383.532	FXPBLPNZVTUNCR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-104177
CC(C)CC(NS(=O)(=O)c1sccc1C)c1nnc2CCNCCn12	PC-id_56718527,MCULE-6826225467,EMOLS-id_36457469	383.532	XEQGIXRHYKTEHW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-104178
CN=C(NCc1nnc2n1CCCCC2)NCCCN(c1ccccc1)CC	PC-id_111389931	383.534	QOPRTJKIRRWKSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104179
CN=C(NCc1nnc2n1CCCCC2)NCCN(c1cccc(c1)C)CC	PC-id_111330652	383.534	DEUHXPCAUUMRMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104180
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)OCCC1CCCCC1	SCHEMBL6989910,PC-id_69954192	383.547	HRMPRLRIMZXYPE-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-104181
s1c2CCCCCCCCCCc2nc1NC(=O)CN(CCO)CCO	PC-id_30377139	383.549	FLJJVQWAONTSQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104182
S1(=O)(=O)C[C@H]([NH+]2CCN(CC2)C(=O)c2sc3c(c2)CCCCC3)CC1	PC-id_9500647	383.549	NLWWVXFELUXJOM-OAHLLOKOSA-O	00000010100010000101100000000010000000000000000000000000	31-01-104183
S1(=O)(=O)C[C@@H]([NH+]2CCN(CC2)C(=O)c2sc3c(c2)CCCCC3)CC1	PC-id_9500649	383.549	NLWWVXFELUXJOM-HNNXBMFYSA-O	00000010100010000101100000000010000000000000000000000000	31-01-104184
S1(=O)(=O)CC([NH+]2CCN(CC2)C(=O)c2sc3c(c2)CCCCC3)CC1	PC-id_85026721	383.549	NLWWVXFELUXJOM-UHFFFAOYSA-O	00000010100010000101100000000010000000000000000000000000	31-01-104185
O=C(N(C1CCCNCC1)Cc1ccccn1)c1cc2c(s1)CCCCC2	PC-id_120432936	383.55	NXNAIJLXTHPQMM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-104186
O=C(NC1CCN(Cc2ccccn2)CC1)c1cc2c(s1)CCCCCC2	PC-id_47058922,EMOLS-id_32041388,ZINC22_48374388,MCULE-7371693904	383.55	OWIAJMIHVYALTJ-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-104187
O=C(NCc1ccccc1)c1nc2CCN(CC3CCCCC3)CCc2s1	ZINC22_2055793289,EMOLS-id_313793593	383.55	LQDRFXREFAALKU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104188
s1c2CCCCCc2cc1C(=O)Nc1c(cc(N2CCN(CC2)C)cc1)C	PC-id_51148619	383.55	NGYUFEDUCHCLBY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104189
s1c2CCCCCc2cc1C(=O)NCc1c(N2CCN(CC2)C)cccc1	PC-id_56517024	383.55	NFBGGLTWPMMAAA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104190
s1c2CCCCCCc2cc1C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_60481552	383.55	WFTQTRBQLVKLOI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104191
S=c1n2c(nn1CN1CCN(CC1)C/C=C/c1ccccc1)CCCCC2	PC-id_18084695	383.553	MGGAHYUUARLJFT-JXMROGBWSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104192
S=c1n2c(nn1CN1CCN(CC1)CC=Cc1ccccc1)CCCCC2	PC-id_73418326	383.553	MGGAHYUUARLJFT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104193
[Si](OCc1c2c(oc1)CCN(OC2)C(=O)OC(C)(C)C)(C(C)(C)C)(C)C	PC-id_11211282	383.555	HRQDPMBOMOLKDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104194
O=C(N(C1CCCCC1S(=O)(=O)C)C)c1sc2c(c1)CCCCCC2	EMOLS-id_111140858	383.568	BAEJBGOXAWVFFR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-104195
S1(=O)(=O)C[C@H](N(CCCC)C(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_52467595	383.568	DUHWWQSOKPNRFR-MRXNPFEDSA-N	00000010100000000100000000000010000000000000000000000000	31-01-104196
S1(=O)(=O)C[C@@H](N(CCCC)C(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_52467596	383.568	DUHWWQSOKPNRFR-INIZCTEOSA-N	00000010100000000100000000000010000000000000000000000000	31-01-104197
S1(=O)(=O)CC(N(CCCC)C(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_60591965	383.568	DUHWWQSOKPNRFR-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-104198
CCS(=O)C1CCCC(C1)NC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101074594	383.572	KXYKSEPORVHKMR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104199
s1c2c(CCCCC2)c(c1NC(=S)NCCCN(C)C)C(=O)OCC	PC-id_19652031	383.572	CFSYEWSLQOPULL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-104200
s1c2c(CCCCCC2)c(c1NC(=S)NCCCN(C)C)C(=O)OC	PC-id_19652026	383.572	WIVHEDBIVVNZSB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-104201
s1c2c(CCCCCC2)c(c1NC(=S)NCCN(C)C)C(=O)OCC	PC-id_20174197	383.572	ZHPUFZMBGPSWIV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-104202
Brc1ccc(c(c1)Cl)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101845915	383.671	QOMRKGROTOZULI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104203
Brc1cc(C(=O)NCc2n3CCCCCc3nn2)c(Cl)cc1	PC-id_51266232	383.671	NXLLLIFWOYEXOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104204
Clc1cc(cc(c1)Br)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101860063	383.671	SNJRKSFIBXBGST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104205
Clc1ccc(c(c1)Br)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101969136	383.671	YKZXYZLXDSSPKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104206
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1Br)Cl	EMOLS-id_101862224	383.671	MSAKYWADNZUCGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104207
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)Br)Cl	EMOLS-id_101950350	383.671	LRNVIMJRBGUWNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104208
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)Cl)Br	EMOLS-id_101957414	383.671	VDHKYFKYGRCKPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104209
O=C(NCc1nnc2n1CCCCC2)c1cc(Cl)cc(Br)c1	EMOLS-id_75983184,MCULE-7644222183,ZINC22_178462868,PC-id_119042742	383.671	AQDVXFPWTKJBJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104210
Brc1ccc(c(c1)Cl)CC(=O)c1cc2c(s1)CCCCC2	PC-id_115801921	383.73	USFGSPGAAWFILO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104211
Brc1c(cc(C(Cl)c2sc3c(CCCCC3)c2)c(c1)C)C	PC-id_64183271	383.773	MRGVMHVHWKGHJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104212
BrC(c1sc2c(CCCCC2)c1)c1c(cc(Cl)c(c1)C)C	PC-id_64212586	383.773	VWVUKLNRFZXTLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104213
Clc1cc(C)c(cc1C(c1cc2c(s1)CCCCC2)Br)C	PC-id_115484868	383.773	HSFMFNLYGXTIRC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104214
NC(=O)/C(=C/C1=C(C)CCCn2c1c(Cl)cn2)/S(=O)(=O)C(F)(F)F	SCHEMBL19737277	383.774	DYTIBLQGVHRJFF-YHYXMXQVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-104215
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)c1cnc(c(Cl)c1)O	ZINC22_2356148874,EMOLS-id_337791280,MCULE-6109038907	383.832	XZMKZXHTNLINFM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-104216
O=C(N[C@H]1CNCc2nccn2C1)c1ccc(c2cccc(Cl)c2)nc1O	ZINC22_2325858590	383.832	SUGVKZFISVRNGH-AWEZNQCLSA-N	00000000100000111101100000000010000000000000000000000000	31-01-104217
O=C(N[C@@H]1CNCc2nccn2C1)c1ccc(c2cccc(Cl)c2)nc1O	ZINC22_2325858591	383.832	SUGVKZFISVRNGH-CQSZACIVSA-N	00000000100000111101100000000010000000000000000000000000	31-01-104218
O=C(N[C@H]1CNCc2nccn2C1)c1ccc(Oc2ccc(Cl)cc2)cn1	ZINC22_2325856891	383.832	HHRVHYCAFSRYMG-AWEZNQCLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-104219
O=C(N[C@@H]1CNCc2nccn2C1)c1ccc(Oc2ccc(Cl)cc2)cn1	ZINC22_2325856892	383.832	HHRVHYCAFSRYMG-CQSZACIVSA-N	00000000100000111101000000000010000000000000000000000000	31-01-104220
COc1ccc(Cl)cc1NS(=O)(=O)c1cc2C(=O)N(C)CCCn2c1	EMOLS-id_48455501,MCULE-6381275338,PC-id_53182870	383.85	HWINTQTUJVEPBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104221
COc1ccc(NS(=O)(=O)c2cc3C(=O)N(C)CCCn3c2)cc1Cl	PC-id_53182858,MCULE-1498549741,EMOLS-id_33086708	383.85	WEEZHZZULBGSCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104222
CC1Cc2c(O1)c(Cl)cc(c2)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026722	383.853	KHRLNZKHPQDOLV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104223
ClCC[C@H]1OC(=O)/C(=CC)/C[C@H](C)[C@@](C(=O)OCc2c1n(C)cc2)(C)O	PC-id_102121442	383.866	VTRRHLOXBXDUTI-QANQVXMMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104224
C1CCc2c(CC1)sc(n2)NC(=O)NCC(c1cc(c(cc1)Cl)F)O	PC-id_86781500,MCULE-7305439685,EMOLS-id_49917574	383.868	OGSYOIAEHFPBQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104225
O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)Nc1nc2c(s1)CCCCC2	PC-id_97856604,ZINC22_97230155	383.868	OGSYOIAEHFPBQF-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104226
O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)Nc1nc2c(s1)CCCCC2	PC-id_97856605,ZINC22_97230157	383.868	OGSYOIAEHFPBQF-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104227
Clc1c2ccccc2sc1S(=O)(=O)NC1CCc2n(CC1)nnn2	EMOLS-id_102028658	383.876	WCJLTBFERWWBJB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104228
Clc1ccc2c(c1)cc(s2)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028448	383.876	XXWOTONRDLJEAG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104229
C1CCc2nnc(n2CC1)CCCNS(=O)(=O)Cc1cnc(cc1)Cl	PC-id_91642165	383.896	JBJQCVYJWXXLNH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104230
c1(NC(=O)c2ccc(Cl)s2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_4134789,EMOLS-id_5471790,MCULE-6704900266,PC-id_4656883,ChEMBL-DNDi_CHEMBLF0817-0354,CoCoCo_5015580	383.913	FIWRVDXLYQGURN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104231
c1(NC(=O)Cc2ccc(Cl)s2)sc2c(CCCCC2)c1C(=O)OC	MCULE-7586714411,PC-id_41340514,ZINC22_10061005,EMOLS-id_30136755	383.913	RRUBDBKEIAOSNZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104232
CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc3c(s2)CCCCC3)c1	CoCoCo_3292547,EMOLS-id_3656946,MCULE-3049874514,PC-id_9116873,ZINC22_7987722	383.913	GLPWKDWQBSRKLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104233
c1(CN(C)Cc2c3CCCCCc3[nH]n2)cn(nc1c1cccc(Cl)c1)C	CoCoCo_1492844,CoCoCo_1492843,PC-id_31106382,MCULE-1495806387,CoCoCo_1492842,EMOLS-id_24862731,ZINC22_23431256,CoCoCo_1492845	383.918	GSRZOKALPWENOA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104234
C=S(c1c2C=CCCCn2c(c1Cl)C(=O)Nc1cc(c(cc1)F)F)O	PC-id_164081109	384.051	WXTIPMDRBXRHAP-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-104235
CC1(C=CC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_154682238	384.106	WRSWTEZAXLXMAD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-104236
CN1CCCc2c(n(cc2S(=O)(=O)N1)C)C(=O)Nc1cc(c(cc1)F)F	PC-id_163828142	384.107	OBIRFSBRWHZLAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104237
C1CCC2=C(C(C1)CC3=CC=C(C=C3)Cl)N(N=C2)CC4=CC=C(C=C4)Cl	PC-id_154324777	384.116	SUPBBMKNUBYTMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104238
CC1=C(C=C(C=C1)NC(=O)C2=C3CC[C@H](NS(=O)(=O)C3=CN2C)C=C)C#N	PC-id_160375989	384.126	HHQJUGBOBMPFKF-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104239
CC1=C(C=C(C=C1)NC(=O)C2=C3CC[C@@H](NS(=O)(=O)C3=CN2C)C=C)C#N	PC-id_160375990	384.126	HHQJUGBOBMPFKF-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104240
C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC[C@@H](C=C3)O)NC(C(F)F)O	PC-id_148519684	384.132	MODRSMXVIXHCNG-VCQTYVLVSA-N	00000000100011000100000000000010000000000000000000000000	31-01-104241
CC1=C(C=CC(=C1)CN2C=CC(=N2)C(=O)N[C@H]3COC4=C(C=NN4)NC3=O)F	PC-id_146908514	384.135	AAVOJNOLCMZHQG-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104242
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)N(N=C4[Si](C)(C)C)C	PC-id_154685760	384.18	GVQJIDRSKPJCQZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104243
CCC1(C2=NC(=NC=C2CO1)C(=O)NC3CCN4C(=CC(=N4)C)N(C3=O)C)C	PC-id_152353750	384.191	WZYGJUDIAAHXSK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104244
CC(C)(C)OC(=O)N1CCCn2nc(c(Br)c2C1)C(F)(F)F	EMOLS-id_317750507	384.192	RFLJDSJORVNGAJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104245
C/C(=C(/C=C)C1C=C2C(=CC#C1)NC(=C2C(=N/C(=C/N)/C=NC)C)O)/C=CC#C	PC-id_153556900	384.195	BMINEYCFCMHFID-ZMRMDAOZSA-N	00000000100000000110000000000010000000000000000000000000	31-01-104246
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16100138,PC-id_90460826	384.214	NHQAWFFYDFJIQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104247
CC(C1=CC=CC=C1)NC(=O)N2C3=C(CCN(CC3)C(=O)OC(C)(C)C)C=N2	PC-id_152598301	384.216	YWYWRAJRHZVISJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104248
Brc1c(NC(=O)Cn2nc3CCCCCc3c2)c(F)cc(F)c1	PC-id_16195552,CoCoCo_2192308	384.219	UHYDXMIAQWPPLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104249
C1CC=C(C1)C(=O)NC2CC3CCC(C2)N3C(=O)C4CCC5=NN=NN5CC4	PC-id_154795130	384.227	MBKVXNKDNFTWIV-UHFFFAOYSA-N	00000011100010000101000000000110000000000000000000000000	31-01-104250
Brc1cc2=C(/C(=C/N4CCCCCC4=NN3)/C#N)C(=O)N=c2cc1	PC-id_6256823	384.23	RWLOZXOIWAADFD-FOWTUZBSSA-N	00000011000000100111000000001010000000000000000000000000	31-01-104251
Brc1cc2=C(C(=C3N4CCCCCC4=NN3)C#N)C(=O)N=c2cc1	PC-id_6843545	384.23	RWLOZXOIWAADFD-UHFFFAOYSA-N	00000011000000100111000000001010000000000000000000000000	31-01-104252
C1CCc2nnc(n2CC1)/C(=C
/c2c(ccc(c2)Br)NC1=O)/C#N	PC-id_135576706,CoCoCo_3732789	384.23	BQJHMGZCGFHENQ-QINSGFPZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104253
N#C/C(=C/1C(=O)Nc2c1cc(Br)cc2)/c1nnc2n1CCCCC2	CoCoCo_3732790	384.23	BQJHMGZCGFHENQ-NTCAYCPXSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104254
N#CC(=C1C(=O)Nc2c1cc(Br)cc2)c1nnc2n1CCCCC2	MCULE-4039108436,EMOLS-id_26167654	384.23	BQJHMGZCGFHENQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104255
CC1=C(N=C(N=C1N2CC[C@H](C2)N(C)C)C(=O)N3CCCN4C(=CN=N4)C3)C	PC-id_154796103	384.239	LPPWLGLQCGPSDN-OAHLLOKOSA-N	00000010100000100101100000000010000000000000000000000000	31-01-104256
c1(NC(=O)c2ccc(Br)o2)sc2c(CCCCC2)c1C(=O)O	EMOLS-id_179129690,MCULE-4040204711,PC-id_28860457	384.245	MZBQWSLTFGYBDS-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-104257
BrCCN(C(=O)c1cc2c(s1)CCCCC2)CC(F)(F)F	PC-id_107492517	384.255	PWKBLYAOABIOPE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-104258
c1(NC(=O)Nc2ccc(cc2F)Br)sc2c(CCCCC2)n1	MCULE-1925619386,EMOLS-id_16329842,CoCoCo_2552409,PC-id_20966630	384.267	YUJWVUQCFIMMIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104259
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCCCC2)c1C(=O)O	EMOLS-id_179129624,PC-id_28860394,MCULE-2837625209	384.277	CBOODXUTBIZEOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104260
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cnc1Cl	PC-id_55334063	384.28	VGZPPQBNLVSAID-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-104261
Clc1c(nc(Cl)cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N	PC-id_60388048	384.28	WTQKSOBMSPBQCR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-104262
Brc1ccc(cc1C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946045	384.291	FGPYAEJKUNLXQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104263
Brc1ccc(cc1)CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948586	384.291	MXCXKBOWPVFMCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104264
Brc1cccc(c1C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948628	384.291	XGACXVLOUQZJGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104265
Brc1ccc(c(c1)C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950788	384.291	VYZYEUNYTODMPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104266
Brc1ccccc1CS(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950980	384.291	LYYZDVQFORFEBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104267
Brc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101946015	384.291	PQMDBEQCXRMFJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104268
Brc1ccc(o1)CN(C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112825104	384.291	VHMSHWYSXHRFKL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-104269
Cc1cc(Br)cc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950818	384.291	DAZFVDFATADRPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104270
Cc1ccc(c(c1)Br)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948301	384.291	IMLRWJKTEGXKEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104271
Cc1ccc(cc1Br)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948541	384.291	LJGWBNAGUGLNOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104272
Cc1cccc(c1Br)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948688	384.291	GGHHOWNOOLXKGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104273
Cc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)Br	EMOLS-id_101950731	384.291	VBQWKSWVXXTTRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104274
O=C(Nc1cscc1Br)NCCc1nnc2n1CCCCC2	EMOLS-id_319371556	384.295	ROXWYEKXYBUMNW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-104275
CC(CC1CCC2=C(CN1)C=NN2C(C)(C)C)N3C4=C(CN(CCC4)C)C=N3	PC-id_155175848	384.3	VNPFTXKSIXVFFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104276
c12C(=O)NCC(O)Cn1nc(C(=O)NCc1ccc(cc1)OC(F)(F)F)c2	EMOLS-id_82717915,MCULE-8239605787,PC-id_119065316	384.31	PUXPRFDVMIXNHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104277
C1C(Cn2c(cc(n2)C(=O)NCc2cc(ccc2)OC(F)(F)F)C(=O)N1)O	PC-id_135094365	384.31	APVVJYWEEZRHMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104278
C1C(Cn2c(cc(n2)C(=O)NCc2ccccc2OC(F)(F)F)C(=O)N1)O	PC-id_135096261	384.31	QYOJZAWTIAXXJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104279
O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426494509	384.31	PUXPRFDVMIXNHG-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-104280
O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426494510	384.31	PUXPRFDVMIXNHG-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104281
Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCCCc2nc(N)sc12	BindingDB_PC-id_78318712,BindingDB-id_412954,PC-id_78318712,SCHEMBL15903630	384.323	NVNUNBGVUJEEGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104282
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccccc1OCC(F)(F)F	EMOLS-id_318374721	384.353	NWYPVVNWXZTFLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104283
Brc1cc(sc1)CN(C(=O)c1sc2CCCCCc2c1)C	PC-id_63531680	384.354	AXKRMHTXNCSENI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104284
Brc1scc(CN(C(=O)c2sc3CCCCCc3c2)C)c1	PC-id_63530831	384.354	VHWAHXYBERZVJH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104285
O=C1CCC(=O)Oc2c(O1)c(Cn1ncc(c1)c1ccc(c(c1)C)F)nn2C	PC-id_140810668	384.361	YZAQJSQBKQPXCF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104286
O=C1CCC(=O)Oc2c(O1)c(Cn1ncc(c1)c1ccc(c(c1)F)C)nn2C	PC-id_140810679	384.361	KQFROJUAECRPHY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104287
O=C(c1ncn(n1)Cc1ncccc1F)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18367251	384.368	FRPWLESFINBNKG-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104288
N#Cc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948661	384.376	KWRCGAKRLHNHHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104289
N#Cc1cc(ccc1C(F)(F)F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950965	384.376	WBMODKIWWRPMKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104290
N#Cc1cc(ccc1S(=O)(=O)N1CCCc2c(C1)cnn2C)C(F)(F)F	EMOLS-id_101948511	384.376	DEMKVHRRUWBMMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104291
C1CN(CCc2c1nc(o2)C(=O)Nc1cnccc1)Cc1cc(c(cc1)F)F	PC-id_134806205	384.379	DNTYRTYTMJPLLT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-104292
C1CN(CCc2c1nc(o2)C(=O)Nc1cnccc1)Cc1c(cc(cc1)F)F	PC-id_134808623	384.379	WBSHALVPRLJNLJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-104293
Fc1cc(cc(c1)F)Oc1ccccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_320252222,MCULE-9181429431	384.379	XVKPEYMMBRDXPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104294
c1(C(=O)O)cc2n(CCCN(C(=O)CCn3c4cc(C)ccc4oc3=O)C2)n1	PC-id_50954745,EMOLS-id_32380712,ZINC22_65382905,MCULE-2091406957	384.386	DPAADDBZENPYDQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104295
Cc1cc2[nH]cc(C(=O)N3CCCn4nc(CCC(=O)O)cc4C3)c(=O)n2n1	MCULE-7872115229,EMOLS-id_43159574	384.389	DIQPKOQZYWYSCJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104296
O=C(N1CCCn2nc(cc2C1)CCC(=O)O)c1c(=O)n2[nH]c(cc2nc1)C	PC-id_56909981	384.389	WTDFNNBEVRBIJT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104297
c1(oc(nc1C)C)C(=O)N1CCn2c(CC1)nc(C(=O)NCc1n[nH]cn1)c2	EMOLS-id_331125539,ZINC22_1875245842,MCULE-1787861330	384.393	UKFNWBFUIVOQCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104298
Brc1c(sc(c1)C)C(NCC)c1sc2c(CCCCC2)c1	PC-id_65279733	384.397	OWUXGYHABZSEJR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104299
Brc1c(scc1)C(NCCC)c1sc2c(CCCCC2)c1	PC-id_80535496	384.397	AMZOAHIKHKHOQX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104300
CCNC(c1cc(c(s1)C)Br)c1cc2c(s1)CCCCC2	PC-id_102827613	384.397	LUCJPGFYTWGIQQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104308
CCC(c1nnc2n1CCCCC2)NC(=O)Cc1ccn(n1)CC(F)(F)F	EMOLS-id_320006643,MCULE-1005493399	384.399	CTBHVXOMQYSSFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104309
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)NCc1n(C)ncc1C(F)(F)F	EMOLS-id_316727321	384.399	TUVOZWKALKEMSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104310
CC1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)F)C	PC-id_139471051,SCHEMBL21337047	384.401	GSXOHBLSMJBALO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104311
CC1CNc2c(S(=O)(=O)N1)cn(c2C(=O)N(c1ccc(c(c1)F)F)C)C	PC-id_139471330,SCHEMBL21337328	384.401	HULNJEQSHFHSQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104312
C[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)F)C	SCHEMBL18352864	384.401	GSXOHBLSMJBALO-VIFPVBQESA-N	00000000100000101101000000000010000000000000000000000000	31-01-104313
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccc(F)c(F)c3)cc2C1	ZINC22_91663373,EMOLS-id_46063571,PC-id_72890923,MCULE-7120221309	384.401	IQGLIJBUYCPIGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104314
Fc1cc(F)cc(c1)C(=O)N1CCCn2c(C1)c(nc2)CNS(=O)(=O)C	PC-id_97519516	384.401	VNJCSYDQVAGEFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104315
S(=O)(=O)(c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1)C(F)F	PC-id_51266299	384.401	KQDCYXUHGVOBJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104316
c1(coc(COc2cccc(F)c2)n1)C(=O)NCc1c2CCCCCc2[nH]n1	ZINC22_67954310,PC-id_56721242,MCULE-4675391505,EMOLS-id_36463017	384.404	ZTCNIXOHOCRGEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104317
Cc1c(C(=O)N2CCCc3occc3C2)nnn1CCOc1ccc(F)cc1	MCULE-6904886033,ZINC22_585083627,EMOLS-id_177193641	384.404	RXZSQOXQEAVMDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104318
O=C(NCc1nnc2n1CCCCC2)c1ccc(COc2ccc(F)cc2)o1	ZINC22_40012906,PC-id_45859653,EMOLS-id_30238379,MCULE-8548205129	384.404	KHGOIXPIGALYFZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-104319
CCOC(=O)c1c(N)c(c2-c1ccccc2)S(=O)c1ccccc1[N+](=O)[O-]	PC-id_101876048	384.406	AQRLBGWFRYASJM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-104320
Fc1ccc(c2nc(on2)CCC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266376	384.407	OFNPCNVSRFHZNI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104321
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccnn1Cc1ccccc1F	MCULE-4372670541,EMOLS-id_320340750,ZINC22_105973128,PC-id_138998218	384.407	NIWNMYLJLLQXRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104322
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccnn1Cc1ccc(F)cc1	ZINC22_361581089,MCULE-5413591056,PC-id_138996089,EMOLS-id_320290294	384.407	GZKGRAMZNLPNPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104323
C1CCc2c(CC1)sc(c2)C(=O)N=Nc1c([nH]c2c1cc(cc2)[N+](=O)[O-])O	PC-id_135731442	384.409	CYWXKWGWQHKVGQ-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-104324
s1c2CCCCCc2cc1C(=O)NNC1=c2c(=NC1=O)ccc([N+](=O)[O-])c2	PC-id_8159538	384.409	RCTJBJQKONQHQW-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-104325
N#Cc1c(F)cccc1N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183363	384.411	HKIALGQNWWHMTO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104326
C1CCc2nnc(n2CC1)/C(=C(/CSc1nnc(o1)c1ccco1)O)/C#N	PC-id_135721548	384.412	TZJQMQADDQZWDS-QXMHVHEDSA-N	00000000101000000101100000000010000000000000000000000000	31-01-104327
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1oc(nn1)c1occc1	PC-id_78701275	384.412	ASANVOSOSTWEQV-UHFFFAOYSA-N	00000011101000000111100000000010000000000000000000000000	31-01-104328
S(CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N)c1oc(nn1)c1occc1	PC-id_8452657	384.412	ASANVOSOSTWEQV-RVDMUPIBSA-N	00000011101000000111100000000010000000000000000000000000	31-01-104329
C1CN(c2c(CN(C1=O)Cc1ccccc1)scc2)CC(C(F)(F)F)O	PC-id_134786396	384.416	YJUCAXSMQYCUSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104330
OCC1CC(O)C[C@@H](O1)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)F)F	PC-id_144227084	384.416	FTKQGASWDJCOCH-CPKBAHJLSA-N	00000010100010110110100000000010000000000000000000000000	31-01-104331
Cc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)SCC(F)(F)F	EMOLS-id_278153391	384.419	DCUQAIJAWHJSTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104332
O=C(N1CCn2c(C1)nnc2C(F)(F)F)c1sc2c(c1)CCCCCC2	EMOLS-id_111110474	384.419	JAIPFRMFNZETGI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-104333
S(c1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1)C(F)(F)F	PC-id_51307495	384.419	HXKBTVAXEQMRMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104334
S(c1n2CCCCCc2nn1)C(C(=O)Nc1cc(ccc1)C(F)(F)F)C	PC-id_24371246	384.419	JMSHBJMGLNOAFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104335
S(c1n2CCCCCc2nn1)C(C(=O)Nc1ccc(cc1)C(F)(F)F)C	PC-id_42986065	384.419	AXHRYMLHBVCINV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104336
S(c1n2CCCCCc2nn1)[C@H](C(=O)Nc1ccc(cc1)C(F)(F)F)C	PC-id_7877195	384.419	AXHRYMLHBVCINV-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-104337
S(c1n2CCCCCc2nn1)[C@@H](C(=O)Nc1ccc(cc1)C(F)(F)F)C	PC-id_7877197	384.419	AXHRYMLHBVCINV-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104338
S(c1n2CCCCCc2nn1)[C@H](C(=O)Nc1cc(ccc1)C(F)(F)F)C	PC-id_7877595	384.419	JMSHBJMGLNOAFS-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-104339
S(c1n2CCCCCc2nn1)[C@@H](C(=O)Nc1cc(ccc1)C(F)(F)F)C	PC-id_7877596	384.419	JMSHBJMGLNOAFS-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104340
Fc1ccc(CN2Cc3ccnn3C[C@H](COCc3cccnc3)C2)cc1F	ZINC22_2055708067	384.422	CJLUWLYSDZFRJL-GOSISDBHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-104341
Fc1ccc(CN2Cc3ccnn3C[C@@H](COCc3cccnc3)C2)cc1F	ZINC22_2055708068	384.422	CJLUWLYSDZFRJL-SFHVURJKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-104342
Fc1ccc(CN2CC(COCc3cccnc3)Cn3nccc3C2)cc1F	EMOLS-id_313723354	384.422	CJLUWLYSDZFRJL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-104343
Fc1cc(Oc2ccc(cc2)CNCc2nnc3n2CCCCC3)cc(c1)F	MCULE-5395886249,EMOLS-id_51394187,PC-id_121844453	384.422	DFYOSQULNRQEIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104344
O(c1c2-c(c(OC(=O)CC)c1C(=CC)OC(=O)CC)ccccc2)C(=O)CC	PC-id_10883509	384.422	WXCQKKQKWNDHRN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-104345
O(c1c(Cc2c3-c(c(c2OC)C=O)ccccc3)c2-c(c1C=O)ccccc2)C	PC-id_14116443	384.424	TYNDHNDQKYIHFM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-104346
CCCCOC(=O)c1c2-c(c(c1OCC)C(=O)OC)cc(ccc2)Br	PC-id_141346761	409.271	CHPZBLAATJMVSP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118968
Fc1ccc(cc1)C[N@@H+]1CCc2n(CC1)c(nn2)CCNC(=O)c1ccco1	GD-id_ZINC12031032	384.427	COTQVFOKXDAXJM-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-104347
Fc1cccc(c1)n1ccc(=O)c(n1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_100906511	384.427	OCDBLTQEGKZECL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104348
Fc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)cc1	PC-id_42328206	384.427	ISOPQPQXCOYADN-CQSZACIVSA-O	00000000101000110101000000000010000000000000000000000000	31-01-104349
Fc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)cc1	PC-id_42328208	384.427	ISOPQPQXCOYADN-AWEZNQCLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-104350
Fc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cc1	PC-id_74843600	384.427	ISOPQPQXCOYADN-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-104351
o1nc2n(C(CCCC2)CCNC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1=O	SCHEMBL6791274,PC-id_59923011	384.427	CQOMYKKAMYRHTL-KIYNQFGBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104352
o1nc2n(C(CCCC2)CCNCC(NC(=O)OC(C)(C)C)C(=O)O)c1=O	PC-id_23500555	384.427	CQOMYKKAMYRHTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104353
O=C(c1ccoc1)NCCc1nnc2n1CC[N@H+](CC2)Cc1ccccc1F	GD-id_ZINC11910961	384.427	CQDGHYIZZJXTCP-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-104354
c12C(=O)N(CCCn1nc(C(=O)NCC1COCCO1)c2)Cc1ccccc1	PC-id_53007943,MCULE-8721373588,EMOLS-id_32632798	384.429	GTTLHBPOOFSXCI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104355
c12C(=O)NCC(O)Cn1nc(C(=O)N1CCC(CC1)Oc1ccccc1C)c2	EMOLS-id_82700941,PC-id_119059018,MCULE-2505940580	384.429	MXPUBRQMJTYARK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104356
c12C(=O)NCC(O)Cn1nc(C(=O)N1CCC(CC1)OCc1ccccc1)c2	EMOLS-id_55688407,MCULE-3881465126,PC-id_91840769	384.429	PXUHFSRABVYWEQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104357
C1COCCC1(CNC(=O)c1nn2CC(CNC(=O)c2c1)O)c1ccccc1	PC-id_135106749	384.429	MKNJKYSRZPHXDQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104358
c1(C(=O)N2CCOCC2)cc2n(CCCN(C2)C(=O)c2cccc(C)c2O)n1	ZINC22_65452358,PC-id_50972609,MCULE-8177566581,EMOLS-id_32414400	384.429	SKFZVTOUJUNHGM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104359
c1(C(=O)N(Cc2ccc(cc2)OCC)C2CC2)cc2n(CC(CNC2=O)O)n1	MCULE-6626518793,EMOLS-id_82722699,PC-id_119067124	384.429	DWOXMRKQYFZAQI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-104360
Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCc3[nH]nc(O)c3CC2)OCC(=O)N1C	EMOLS-id_337779215,ZINC22_2356136985	384.429	NURJIGPJKKTPTI-MSOLQXFVSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104361
Cc1cc(ccc1)OC1CCN(CC1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135111041	384.429	QJYPKROITLKUKA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104362
Cc1ccccc1OC1CCN(C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)CC1	ZINC22_426369189	384.429	MXPUBRQMJTYARK-AWEZNQCLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104363
Cc1ccccc1OC1CCN(C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC1	ZINC22_426369190	384.429	MXPUBRQMJTYARK-CQSZACIVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104364
CCOc1ccc(CN(C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)C2CC2)cc1	ZINC22_426522839	384.429	DWOXMRKQYFZAQI-HNNXBMFYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-104365
CCOc1ccc(CN(C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)C2CC2)cc1	ZINC22_426522840	384.429	DWOXMRKQYFZAQI-OAHLLOKOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-104366
CCOC(=O)c1n2CCCCCc2c(c1NC(=O)Nc1ccccc1)C(=O)N	CoCoCo_5764225,PC-id_394193,NSC697462	384.429	BJYOMSNPQNARNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104367
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)C(=O)c1ccc2OCOc2c1	EMOLS-id_50586223,PC-id_91910879,MCULE-7772309210	384.429	JSAFRBAOXSFHFE-UHFFFAOYSA-N	00100010100000100101000000001010000000000000000000000000	31-01-104368
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)[C@H]2CCOC2)CCC3)cc1	ZINC22_1565555290	384.429	FHMUHBMVRSRGRA-AWEZNQCLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104369
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)[C@@H]2CCOC2)CCC3)cc1	ZINC22_1614938740	384.429	FHMUHBMVRSRGRA-CQSZACIVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104370
COc1ccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)C2CCOC2)cc1	EMOLS-id_313763272	384.429	FHMUHBMVRSRGRA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104371
O1C2(Oc3c1cc(NC(=O)Cn1nc4n(CCCCC4)c1=O)cc3)CCCC2	PC-id_36486612	384.429	IYOZTQGAZAGLKW-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-104372
O=C1N(CCCn2nc(cc12)C(=O)NC(C(C)C)C(=O)O)Cc1ccccc1	PC-id_46049196	384.429	RIEGKAHVKJMGQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104373
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)O)CC)Cc1ccccc1	PC-id_46159626	384.429	OXPMVUIYHANGGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104374
O=C1NC[C@H](O)Cn2nc(C(=O)N3CCC(OCc4ccccc4)CC3)cc12	ZINC22_252497039	384.429	PXUHFSRABVYWEQ-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104375
O=C1NC[C@@H](O)Cn2nc(C(=O)N3CCC(OCc4ccccc4)CC3)cc12	ZINC22_252497040	384.429	PXUHFSRABVYWEQ-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104376
O=C(c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NC[C@@H]1COCCO1	PC-id_93059134	384.429	GTTLHBPOOFSXCI-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104377
O=C(c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NC[C@H]1COCCO1	PC-id_93059135	384.429	GTTLHBPOOFSXCI-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104378
c1(C(=Cc2ccc(cc2)OC(=O)c2ccccc2)C#N)nnc2CCCCCn12	PC-id_4674999,MCULE-8333878808	384.43	JYCPAGAFHHDNNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104379
C1CCc2nnc(n2CC1)/C(=C(/c1ccc(cc1)C(=O)c1ccccc1)O)/C#N	PC-id_135576589	384.43	PJSLEXSHFAVCHA-QOCHGBHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104380
O=C(/C(=C
/N2CCCCCC2=NN1)/C#N)c1ccc(cc1)C(=O)c1ccccc1	PC-id_6235537	384.43	SMMDYGQXMIMNNZ-FCDQGJHFSA-N	00000011000000110111000000000010000000000000000000000000	31-01-104381
O=C(C(=C1N2CCCCCC2=NN1)C#N)c1ccc(cc1)C(=O)c1ccccc1	PC-id_6840757	384.43	SMMDYGQXMIMNNZ-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-104382
O=C(C(c1n2CCCCCc2nn1)C#N)c1ccc(cc1)C(=O)c1ccccc1	PC-id_8122262	384.43	ZOWQEUHFOAWLHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104383
N#CC(=C(c1ccc(cc1)C(=O)c1ccccc1)O)c1nnc2n1CCCCC2	MCULE-7161291453,EMOLS-id_317359913	384.431	PJSLEXSHFAVCHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104384
N#C/C(=C/c1ccc(cc1)OC(=O)c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_2593229	384.431	JYCPAGAFHHDNNV-CYVLTUHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104385
O=C(Oc1ccc(/C=C(C#N)/c2nnc3CCCCCn23)cc1)c1ccccc1	PC-id_6182661,CoCoCo_2593228,EMOLS-id_26445672	384.431	JYCPAGAFHHDNNV-XDJHFCHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104386
c12CN(CCCn1nc(CNC(=O)Cn1cccnc1=O)c2)C(=O)C1CCC1	ZINC22_91536241,PC-id_72869065,EMOLS-id_46047687,MCULE-9309606695	384.432	NQFDTNDCYHLANO-UHFFFAOYSA-N	00001000100000100101000000000010000000000000000000000000	31-01-104387
c12CN(CCCn1nc(CNC(=O)C(=O)Nc1ccccc1)c2)C(=O)N(C)C	PC-id_72894302,MCULE-5680177240,EMOLS-id_46066043,ZINC22_91677922	384.432	YHNIMBQCLVEDPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104388
Cc1noc(CC(=O)N2CCc3ncc(CN(C)Cc4ccco4)n3CC2)n1	ZINC22_1565542193,EMOLS-id_313781191	384.432	HKAOIDPKNIEITD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-104389
CCC1(C)OCc2c1nc(nc2)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366617	384.432	WZYGJUDIAAHXSK-YTJLLHSVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104390
CC[C@]1(C)OCc2c1nc(nc2)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18372872	384.432	WZYGJUDIAAHXSK-DJJJIMSYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104391
CC[C@@]1(C)OCc2c1nc(nc2)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18373002	384.432	WZYGJUDIAAHXSK-ORAYPTAESA-N	00000010100000100101000000001010000000000000000000000000	31-01-104392
CCCC1(C)OCc2c1nc(nc2)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18367025	384.432	OROYXARIILCEMG-YTJLLHSVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104393
CC(C)CC(=O)C(=O)N1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	MCULE-6384645009,ZINC22_14879988,CoCoCo_1195980,PC-id_26275992,EMOLS-id_20446873	384.432	ONDBXHLQADTVMB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104394
C[C@H]1C(=O)N[C@H](C(=O)NCCn2cc(CCC(=O)N1)nn2)Cc1ccccc1	PC-id_135096591	384.432	CUDBPLIMSWKXSE-BBRMVZONSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104395
C[C@@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1nnc2n1CCCCC2	PC-id_51134926,MCULE-7063812064,EMOLS-id_32171939,ZINC22_58342687	384.432	UNOHHBLTGKOLDA-CYBMUJFWSA-N	00000010100000110101100000000010000000000000000000000000	31-01-104396
CCOC(=O)N1CCCn2c(C1)cc(n2)CN(Cc1ccc2c(c1)non2)C	EMOLS-id_43130859,PC-id_56900261,MCULE-8786713466	384.432	IFBOMERQLGNUEH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104397
O1CCN(c2cc(NC(=O)NC(c3n4CCCCCc4nn3)C)ccc2)C1=O	PC-id_75614367	384.432	UNOHHBLTGKOLDA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-104398
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(N2CCNC(=O)C2)cc1	PC-id_78876536	384.432	RYTGVXYYOBRHDY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104399
O=C(N1CCCn2nc(cc2C1)C(=O)OC)C1NNC(N)C1c1ccccc1	PC-id_75588109	384.432	YKRXFQOEOWQWJC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-104400
O=C(NCc1n2CCCCCc2nn1)c1cc(NC(=O)C)cc(NC(=O)C)c1	PC-id_24676695	384.432	XPGAMYNRAHWHPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104401
O=C(NCc1n2CCCCCc2nn1)c1cc([N+](=O)[O-])c(N2CCCC2)cc1	PC-id_60520520	384.432	AJNZZUVHUJXNIG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-104402
c12c(NCc3cc4n(CCCN(C4)C(=O)N(C)C)n3)ncnc1oc(CC)n2	EMOLS-id_46030899,ZINC22_91270129,PC-id_72845626,MCULE-5154369170	384.436	RLXLMIPNTUKZEM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104403
c1(n[nH]cc1C(=O)NCc1cc2n(CCCN(CC(C)C)C2)n1)n1cnnn1	EMOLS-id_68936084,MCULE-5651155807,ZINC22_299802194,PC-id_118793043	384.439	YWVYWYYNKMCCJF-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-104404
FC(F)(F)c1nn(CC(=O)NC2CC3N(C(CC3)C2)C)c2c1CCCCC2	PC-id_19523810	384.439	KVOSBEDXMVBYLF-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-104405
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc(c(F)c1F)C	EMOLS-id_44710185,ZINC22_91474351,PC-id_70725395,MCULE-3715335250	384.444	MZGXZMLHQKNHTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104406
CCc1c(c2-c(ccccc2)c1OS(=O)(=O)c1ccc(cc1)C)C(=O)OC	SCHEMBL9626929,PC-id_88490893	384.445	FRBUHDZMPFCIBW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-104407
COC(=O)c1cc(c2-c1ccccc2)CCOS(=O)(=O)c1ccc(cc1)C	SCHEMBL9626926,PC-id_15020224	384.445	DPNBMVKUVBBTQK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-104408
S(=O)(=O)(OCCc1c2-c(c(c1)CC(=O)O)ccccc2)c1ccc(cc1)C	PC-id_85570913	384.445	SEUXOUJEPLRTKD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-104409
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1C)F)c2)C(=O)C1CCC1	MCULE-9060664608,ZINC22_91943602,PC-id_72923349,EMOLS-id_46087209	384.447	JLHGFLUXIOMKRG-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-104410
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1F)C)c2)C(=O)C1CCC1	ZINC22_92028744,EMOLS-id_46093995,PC-id_72932665,MCULE-7873619690	384.447	FOJMUTZMIPTPGC-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-104411
c12CN(CCCn1nc(CNC(=O)Cc1ccc(cc1)F)c2)C(=O)C1CCC1	PC-id_72848011,MCULE-4331298419,EMOLS-id_46032615,ZINC22_91305847	384.447	OZXPICASWJLFIT-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-104412
c12C(=O)N(CCCn1nc(C(=O)N1CCC(CC1)C)c2)Cc1ccc(cc1)F	MCULE-4297367095,EMOLS-id_16324686,CoCoCo_2544567,PC-id_20964737	384.447	HEFVCUFSBXDQET-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104413
c12C(=O)N(CCCn1nc(C(=O)N1CCC(CC1)C)c2)Cc1cccc(F)c1	MCULE-8450731492,EMOLS-id_32632892,PC-id_53034510	384.447	OCVPPXAZPRLWNO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104414
c12C(=O)N(CCCn1nc(C(=O)N1CCCCCC1)c2)Cc1cccc(F)c1	MCULE-5442515381,EMOLS-id_32632890,PC-id_53086350	384.447	FBWOGAFNILLEHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104415
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCC1)c2)Cc1ccc(cc1)F	MCULE-4957011740,EMOLS-id_32846222,PC-id_50797954	384.447	ADVLSYWJOXBLGK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104416
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCC1)c2)Cc1cccc(F)c1	PC-id_53007966,EMOLS-id_32633004,MCULE-8659052712	384.447	FGSOQLQRUDGOMP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104417
CC(NC(=O)C1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(cc1)F)C	SCHEMBL17777876,PC-id_121358808	384.447	ZEHIYXOFZUJWAT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-104418
CCNC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)C)F	SCHEMBL19702804	384.447	PKCOOAKPOYOXFY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-104419
CC(NC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)F)C	SCHEMBL17777941,PC-id_121358869	384.447	XHAZFILIXOUNKC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-104420
CC(NC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)C)F)C	SCHEMBL19702806	384.447	PRZYWIZNFHRQSF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-104421
CCOC(=O)c1c(NC(=O)NCC(C(=O)O)(O)C)sc2c1CCCCC2	PC-id_122087728,MCULE-3312721729,EMOLS-id_72871319	384.447	WHUBKFNAHIVHSI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-104422
CN(C(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)C)F)C	SCHEMBL19702799	384.447	UMQXKSXCBOXWNY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-104423
Fc1ccc(cc1)C(=O)N1CCCC(C1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101668312	384.447	MXAWRNBBCQPRDM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104424
Fc1ccc(cc1)N1CCN(CC1)CCN1CCC(=O)c2c(C1=O)ccn2C	PC-id_10738798,SCHEMBL6780422	384.447	QHWLLRCJPSFTBP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104425
Fc1ccc(N2CCN(CC2)CCN2CCC(=O)c3c(n(cc3)C)C2=O)cc1	PC-id_11794435	384.447	SCCMBEYCZACLHW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104426
c1(NC(=O)c2cc3c(c(ccc3)OC)o2)sc2c(CCCCC2)c1C(=O)N	ZINC22_8960517,PC-id_40888529,EMOLS-id_32180368,MCULE-8417512227	384.449	CLPDPVYXPQIXPG-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-104427
c1(NC(=O)C=Cc2ccc3c(OCO3)c2)sc2c(CCCCC2)c1C(=O)N	PC-id_1008931,MCULE-3801071001	384.449	BJAMHOXCRQAUNC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104428
COC(=O)c1c(NC(=O)Cc2noc3ccccc23)sc2c1CCCCC2	ZINC22_95350708,EMOLS-id_48215212,MCULE-9109350195,PC-id_75403602	384.449	HEDJWJDDHUQTNU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104429
NC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCCC2	CoCoCo_902238,SPECS-id_AK-968/12516806,ZINC22_668723,EMOLS-id_25950846,TIMTEC76537,PC-id_1008932	384.449	BJAMHOXCRQAUNC-VQHVLOKHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104430
O=C(Nc1sc2c(c1C(=O)N)CCCCC2)/C=Cc1ccc2c(c1)OCO2	CoCoCo_902239,PC-id_92903727	384.449	BJAMHOXCRQAUNC-CLFYSBASSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104431
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1cc2OCOc2cc1	PC-id_84974446	384.449	BXMAVWYYTXDASX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104432
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1cc2OCOc2cc1	PC-id_9301239	384.449	BXMAVWYYTXDASX-VQHVLOKHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104433
s1c2CCCCCc2cc1C(=O)OCc1onc(n1)c1c(OC)cccc1	PC-id_8187898	384.449	SFDIXCAVQSATMR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104434
s1c2c(CCCCC2)c(c1NC(=O)COc1ccc(cc1)C#N)C(=O)OC	PC-id_7818567	384.449	CAPOCNWZUOGIFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104435
s1c2CCCCCc2c(c1NC(=O)COc1ccc(cc1)C(=O)OC)C#N	PC-id_40083348	384.449	HIFPTLHFPGLMHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104436
s1c2CCCCCc2c(c1NC(=O)COc1cc(ccc1)C(=O)OC)C#N	PC-id_52328835	384.449	CENJAGRZZVHFJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104437
s1c2CCCCCc2c(c1NC(=O)COc1c(OC)cc(cc1)C=O)C#N	PC-id_38899484	384.449	DHQKYDXLRKIFHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104438
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(cc1)CO)C#N	PC-id_3901342	384.449	DKLAWYCEFYYLRM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104439
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(ccc1O)C)C#N	PC-id_45653976	384.449	DHJREBPUXBDUGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104440
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(O)c(cc1)C)C#N	PC-id_33281847	384.449	CZFVLYGXPLALKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104441
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(O)ccc1)C)C#N	PC-id_55417917	384.449	SDAGAPICZMAZKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104442
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(OC)ccc1)C#N	PC-id_45682295	384.449	NOOMRQBHCOELJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104443
CCCCOC(=O)c1c(OC)c(c2-c1cccc(c2)Br)C(=O)OCC	PC-id_141346793	409.271	WHILAQLOXMIXEX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118969
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(O)c(ccc1)C)C#N	PC-id_42118772	384.449	JZMBKUWYBNGBSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104444
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(O)cc(cc1)C)C#N	PC-id_45635205	384.449	ZVTCPNNKLPWDCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104445
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(OC)cccc1)C#N	PC-id_7485504	384.449	SWLMRLSPUALJLG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104446
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1oc(cc1)C)C#N	PC-id_4424521	384.449	GNHIFGCGHILGIA-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-104447
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)/C=C/c1occc1)C)C#N	PC-id_55418067	384.449	KABCMNBWFLZLJU-MDZDMXLPSA-N	00000000101000000100000000000010000000000000000000000000	31-01-104448
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1oc(cc1)C)C#N	PC-id_6106728	384.449	GNHIFGCGHILGIA-MDZDMXLPSA-N	00000000101000000100000000000010000000000000000000000000	31-01-104449
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=Cc1occc1)C)C#N	PC-id_76236202	384.449	KABCMNBWFLZLJU-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-104450
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1ccccc1)C#N	PC-id_3641337	384.449	ALBCCXRGIBAFQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104451
c12CN(CCCn1nc(CN(C)Cc1cc(on1)C)c2)Cc1c(cccn1)F	ZINC22_72132014,EMOLS-id_43075617,MCULE-2650676184,PC-id_56886606	384.451	OQZFZJXXNDIFOO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104452
Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625420	384.452	MUXJWICTRDDHTE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-104453
CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc2n1CCCCC2	PC-id_16357165,CoCoCo_4311451,ZINC22_12567637,EMOLS-id_3640441,MCULE-9012167474	384.452	IVFOZLRCIFRHGO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104454
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)Cc1noc2ccccc12	ZINC22_1565554228,EMOLS-id_313792307	384.452	UXAMNQPXQBRTST-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104455
COc1cccc(Cc2nnc(NC(=O)N3CCCc4occc4C3)s2)c1	EMOLS-id_316841677,MCULE-1054214739,ZINC22_288853552	384.452	QLOOJIOSGKCRKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104456
n12CCN(CCc1nn(Cc1ccccc1)c2=O)S(=O)(=O)c1ccccc1	PC-id_91910707,MCULE-8047369084,EMOLS-id_49731357	384.452	QVKGKCSXCKNPSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104457
O=C(Cn1nc(c2ccccc2)oc1=O)Nc1nc2c(s1)CCCCCC2	EMOLS-id_35734373,PC-id_53510958,ZINC22_65518615,MCULE-8211766949	384.452	HYLGCSSGOUEHEE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104458
O=C(Nc1c(oc2c1cccc2)C(=C)O)CSc1nnc2n1CCCCC2	CoCoCo_4311452	384.452	VVXXLWYZFYSFEQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104459
O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1CN1C(=O)CNC1=O	MCULE-6686841413,CoCoCo_4546273,PC-id_17545384,ZINC22_12821517,EMOLS-id_16814901	384.452	JGYKKFPXACKMGU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104460
s1c2CCCCCc2c(c1NC(=O)[C@@H](Nc1cc([N+](=O)[O-])ccc1)C)C#N	PC-id_9274316	384.452	HQQUZDOTRJIQAU-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104461
s1c2CCCCCc2c(c1NC(=O)[C@H](Nc1cc([N+](=O)[O-])ccc1)C)C#N	PC-id_9274319	384.452	HQQUZDOTRJIQAU-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104462
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc([N+](=O)[O-])ccc1)C)C#N	PC-id_84968515	384.452	HQQUZDOTRJIQAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104463
Cc1c(c(nn1C)C)S(=O)(=O)N1CCc2nn(c(=O)n2CC1)CCOC	MCULE-1058662652,EMOLS-id_50590027,PC-id_91910669	384.454	NZPBYYOWLRFENU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104464
Cc1cn2c(n1)scc2C(=O)N1CCCn2c(C1)cc(n2)C(=O)NC1CC1	EMOLS-id_32407852,MCULE-7329276166,PC-id_50969091	384.455	KOKHIHLINNGPSX-UHFFFAOYSA-N	00100000100000000101000100000010000000000000000000000000	31-01-104465
s1c2c(CCCCC2)c(c1NC(=O)c1nn2c(n1)nc(cc2C)C)C(=O)N	PC-id_60388025	384.455	CSGRCZLNEORDRV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104466
Cn1cnnc1SCC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_299756971,MCULE-9237185382,PC-id_118768611,EMOLS-id_68886761	384.459	JEZYHUOBUBHJNU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104467
s1c(NC(=O)NCCc2n3CCCCCc3nn2)nnc1c1ncccc1	PC-id_55837225	384.459	BNIGJODSFXBSFK-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-104468
o1c2C[C@H](CCC(=C)C(=O)O[C@H](C/C(=C/c1cc2C(=O)OC)/C)C=C)C(=C)C	PC-id_25105090	384.465	COUIKPPNKOUZQR-JSGPFIJYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-104469
O=C(CCCCCC)c1ccc2-c(c(cc2C(=O)OCC)C(=O)OCC)cc1	PC-id_10949011	384.465	ZKBCMAICRZHWPE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-104470
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(SC(F)F)cc1	PC-id_7877355	384.467	KTQPVOYAJBHVRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104471
Cc1ccc(cc1OCC1CCOCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100113933	384.469	XCSKHXFEFDXIMB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104472
C=C/C(=CC=C(OCC(CN1CCCC1)O)/C)/Oc1oc2c(n1)CC=CC=C2	PC-id_143381705	384.469	FBBSGGTUAIOMDY-UCXDMDGBSA-N	00000010100000000111000000000010000000000000000000000000	31-01-104473
COc1ccc(cc1C1CCCN1C(=O)CN1CCCc2c(C1)cco2)OC	EMOLS-id_99340408	384.469	AOWYGZIGQLOVIB-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-104474
COc1ccc(cc1)C1(CCOCC1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100094457	384.469	ACSCOVDCLYFWIT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104475
COc1cc(OC)ccc1C1CCCN1C(=O)CN1CCCc2c(C1)cco2	EMOLS-id_99340432	384.469	IVWJYXUFWJRMRR-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-104476
COC(=O)C1CCCc2c(C1=O)nc(n2CC)CCCOCc1ccccc1	PC-id_121458029,SCHEMBL17895861	384.469	JLRDSWQOPYEBBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104477
O=C(c1noc2c1CCCCC2)N(Cc1ccccc1)CC1(O)CCOCC1	PC-id_99702372,EMOLS-id_50354205,MCULE-1927453809,ZINC22_156307889	384.469	JOOUDNOPUBXGNU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104478
c12c(=Nc3ccc(cc3)Nc3ccccc3)cccc(OCC)c1c(oc2C)C	PC-id_3834115,MCULE-4862342588	384.47	CJMSGWPCPNXVMD-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-104479
c1(NC(=O)Cc2c(C)[nH]nc2c2ccc(cc2)F)sc2c(CCCCC2)n1	MCULE-2227705681,EMOLS-id_323274729	384.47	DRXXCFLAXRKGFJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104480
CCOc1ccc/c(=Nc2ccc(cc2)Nc2ccccc2)/c2c1c(C)oc2C	STOCK3S-94507,EMOLS-id_26322373,ZINC22_5093569	384.47	CJMSGWPCPNXVMD-HPNDGRJYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-104481
COc1ccc(c(c1)F)c1n[nH]cc1C[N@@H+](Cc1[nH]nc2c1CCCCC2)C	GD-id_ZINC11664474,PC-id_28388794,GD-id_ZINC19835661	384.47	RLSGSEPHFJFWHV-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-104482
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(c(O)c1)OC	PC-id_70740035,ZINC22_82109461,EMOLS-id_44435939,MCULE-6106978676	384.472	MOGMVFBDWSGAAM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-104483
c12C(=O)N(CCCn1nc(C(=O)NCCCOCC)c2)Cc1cccc(C)c1	PC-id_53086383,MCULE-2962312716,EMOLS-id_32633168	384.472	QJNAGQGTOZUXMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104484
c1(cn2c(CCN(C(C)COc3ccccc3)CC2)n1)C(=O)N1CCOCC1	EMOLS-id_336482251,MCULE-5159988800	384.472	HJCLMHNZZZIGET-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104485
c1(C(=O)N2CCOCC2)cc2n(CCCN(C(C)COc3ccccc3)C2)n1	EMOLS-id_32435930,PC-id_50984056,MCULE-8109216436	384.472	MAKNMYAXDZMNEV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104486
c1(C(=O)Nc2cccc(OCCN3CCOCC3)c2)c2CCCCCc2n[nH]1	STOCK7S-58571,PC-id_110089366,ZINC22_257263198,EMOLS-id_46576521,MCULE-7509851980,EMOLS-id_93423963,BDD-25323814	384.472	LOVLMLYPUAESBS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104487
c1(C(=O)N(C)CC2COCCO2)cc2n(CCCN(Cc3ccccc3)C2)n1	EMOLS-id_32397582,MCULE-1028801220,PC-id_50963667	384.472	HGTQMCHIVAKHGW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104488
CCCOc1ccc(cc1)CNC(=O)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_316437809,MCULE-1424414037	384.472	NHIGVIUITITPOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104489
C[C@@H](COc1ccccc1)N1CCc2nc(C(=O)N3CCOCC3)cn2CC1	ZINC22_1940198341	384.472	HJCLMHNZZZIGET-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104490
C[C@H](COc1ccccc1)N1CCc2nc(C(=O)N3CCOCC3)cn2CC1	ZINC22_1940198342	384.472	HJCLMHNZZZIGET-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104491
C[C@@H](COc1ccccc1)N1CCCn2nc(C(=O)N3CCOCC3)cc2C1	PC-id_95147926,ZINC22_65529692	384.472	MAKNMYAXDZMNEV-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104492
C[C@H](COc1ccccc1)N1CCCn2nc(C(=O)N3CCOCC3)cc2C1	PC-id_95147927,ZINC22_65529695	384.472	MAKNMYAXDZMNEV-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104493
C[C@@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nnc2n1CCCCC2	CoCoCo_4807007,PC-id_37173089,ZINC22_29900467	384.472	RZGDOQTVPYIONC-CRAIPNDOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104494
C[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nnc2n1CCCCC2	PC-id_37173085,CoCoCo_4807005,ZINC22_29900464	384.472	RZGDOQTVPYIONC-YJBOKZPZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104495
C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nnc2n1CCCCC2	ZINC22_29900461,CoCoCo_4807004,PC-id_37173082	384.472	RZGDOQTVPYIONC-QAPCUYQASA-N	00000010100000110101000000000010000000000000000000000000	31-01-104496
C[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nnc2n1CCCCC2	ZINC22_29900470,PC-id_37173093,CoCoCo_4807006	384.472	RZGDOQTVPYIONC-MAUKXSAKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104497
CCN(CCOc1ccncc1NC(=O)c1c[nH]c2c1C(=O)CCCC2)CC	PC-id_10110577,SCHEMBL6093166	384.472	OPCZRFXILFQDKN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-104498
CCOc1ccccc1C(=O)N(C)C1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922720,EMOLS-id_50586213,MCULE-2707526136	384.472	JSNQSCUPIDZPFE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-104499
CCOc1ccc(C(=O)CCC(=O)N(C)Cc2nnc3n2CCCCC3)cc1	CoCoCo_4524791,PC-id_17442242,EMOLS-id_13452436,ZINC22_8734552,MCULE-5608997271	384.472	FBESCCCOGIWKTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104500
CCOc1cc(CN2CCCn3nc(C(=O)N4CCCC4)cc3C2)ccc1O	PC-id_50968348,EMOLS-id_32406410,MCULE-6580770228,ZINC22_65420934	384.472	JEANYNAXFIAZLW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104501
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)C(=O)COc1cccc(C)c1	EMOLS-id_50586233,PC-id_91910882,MCULE-9916862945	384.472	COGVCKDFKRZVJN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-104502
CN(C[C@H]1COCCO1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2	PC-id_95127684,ZINC22_65404707	384.472	HGTQMCHIVAKHGW-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-104503
CN(C[C@@H]1COCCO1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2	ZINC22_65404706,PC-id_95127683	384.472	HGTQMCHIVAKHGW-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104504
COc1ccc(cc1)C1(CCCCC1)C(=O)NC1CCc2n[nH]c(=O)n2CC1	MCULE-9151919962,EMOLS-id_50586005,PC-id_91922654	384.472	ZRMDVSDIVXOYBG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104505
COc1ccccc1CCC(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91910852,EMOLS-id_50586503,MCULE-9281767413	384.472	JXQHKZHOGWNLGQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-104506
COc1ccc(cc1)Cn1c2c(cn1)C(=O)CCCN2CCN1CCOCC1	SCHEMBL15130201,PC-id_89705414	384.472	DHKQUYICQDSLSW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104507
COc1ccccc1CN(C(=O)C1CCn2c(CC1)nnc2)CC1CCCO1	EMOLS-id_319101861	384.472	BZLAYHDGNVWGJT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104508
COc1ccccc1COC1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319774754	384.472	HNDJVPJYUMNZIF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104509
COc1cccc(CCC(=O)NC2CCc3nn(CC4CC4)c(=O)n3CC2)c1	EMOLS-id_50586143,MCULE-7542858409,PC-id_91910853	384.472	IFWZRXUDRXLESQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-104510
COCCn1c(=O)n2CCN(CCc2n1)C(=O)C1(CCCC1)c1ccccc1	MCULE-2191065607,EMOLS-id_50589967,PC-id_91922418	384.472	KSKDSWATWQGSIE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-104511
COC(=O)CCC(=O)N1CCc2nnn(c2[C@@H]([C@H](C1)C)C)Cc1ccccc1	PC-id_118886421,SCHEMBL17522645	384.472	SSFXTXFJPFINLX-JKSUJKDBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104512
COC(=O)CCC(=O)N1CCc2n(nnc2[C@@H]([C@H](C1)C)C)Cc1ccccc1	PC-id_118886422,SCHEMBL17522646	384.472	AYJYSSQZFGTFPO-JKSUJKDBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104513
n1c(Cc2ccccc2)nn2CCN(C(=O)COCC3CCCCO3)CCc12	EMOLS-id_337809288,MCULE-7958203434	384.472	JLBRILWBZFUSEL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104514
O1C(CCC1)COc1ccc(C(=O)NC(c2n3CCCCCc3nn2)C)cc1	MCULE-9959149849,PC-id_42955758,EMOLS-id_25669525	384.472	RZGDOQTVPYIONC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104515
O=C1N(CCCn2nc(cc12)C(=O)NCCCOCC)Cc1ccc(cc1)C	PC-id_50797952	384.472	NHIHTDLZNUPCNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104516
O=C1N(CCCn2nc(cc12)C(=O)NCCCOC(C)C)Cc1ccccc1	PC-id_50798051	384.472	UMURRKUKWRJKAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104517
O=C1N(CCC(N=O)c2c1n(CCCCNCCOc1ccccc1)cc2)C	PC-id_54573123	384.472	ZYSGXGVFJMDDGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104518
O=C1N(CC/C(=N/O)/c2c1n(CCCCNCCOc1ccccc1)cc2)C	SCHEMBL7141456,PC-id_20085254	384.472	CZFWPGFAZCLZQW-NMWGTECJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104519
O=C1N(CCC(=NO)c2c1n(CCCCNCCOc1ccccc1)cc2)C	SCHEMBL7141458,PC-id_73658873	384.472	CZFWPGFAZCLZQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104520
O=C(COC[C@H]1CCCCO1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356167938	384.472	JLBRILWBZFUSEL-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104521
O=C(COC[C@@H]1CCCCO1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356167939	384.472	JLBRILWBZFUSEL-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104522
O(CC(=O)NCCc1n2CCCCCc2nn1)c1ccc(CCC(=O)C)cc1	PC-id_52258984	384.472	FTSWVWXNKJIVSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104523
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)C)OC1CCOCC1	EMOLS-id_101969085	384.472	AGUKQWQQDKOLKI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104524
O=C(N1CCCc2c(C1)cnn2C)Nc1ccccc1OCC1CCCCO1	EMOLS-id_318245406	384.472	HUOGAUUQZAJFKK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104525
O=C(NCCc1n2CCCCCc2nn1)c1cc(c(OC)c(OC)c1)CC=C	PC-id_51307498	384.472	MIQGOGXYSYSJPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104526
O=C(NCCc1n2CCCCCc2nn1)CCCC(=O)c1ccc(OC)cc1	PC-id_52413966	384.472	QMTAVROWYRKNOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104527
O=C(NCCc1n2CCCCCc2nn1)CCC(=O)c1ccc(OCC)cc1	PC-id_51323435	384.472	DLGUQXQNOPPFHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104528
OC(=O)C(N(Cc1n[nH]c2c1CCCCC2)C)c1ccc(cc1)C(=O)N(C)C	PC-id_72853731	384.472	ZAOLYYBPQZHZCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104529
c1ccc(cc1)Cc1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccco1	ChEMBL-DNDi_CHEMBL52661847	384.474	SVLNAPGNZKCNBA-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-104530
c1(C(=O)Nc2ccc3c(ccn3Cc3ccccc3)c2)c2CCCCCc2[nH]n1	EMOLS-id_323251125,MCULE-1530377935	384.474	VEPBHHGTHBKIAO-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-104531
Cn1cc(c(=O)n(c1=O)C)S(=O)(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110658745	384.474	CFDNJCIGXSCMCK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-104532
CNS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946057	384.474	QIOBQPACBFRWKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104533
O(c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)Cc1ccc(cc1)C	PC-id_27115487	384.474	DSKLCWOUVLLEIT-RCCKNPSSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104534
O(c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1)Cc1ccc(cc1)C	PC-id_74519859	384.474	DSKLCWOUVLLEIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104535
O=C(c1sc2c(c1)CCCCCC2)NNS(=O)(=O)c1c(N)noc1C	EMOLS-id_76046666,MCULE-9756666337,PC-id_121580662	384.474	RCUDVRKRSPQOTJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104536
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1)N(C)C)c2)C(=O)N(C)C	ZINC22_82096911,EMOLS-id_44428093,MCULE-8643310963,PC-id_70717879	384.475	CVIPCKASZKKBNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104537
c12CN(CCCn1nc(CNC(=O)CCCn1ccnc1)c2)C(=O)C1CCC1	PC-id_72888853,EMOLS-id_46062153,ZINC22_91650965,MCULE-5812288407	384.475	TXMYYNYKUOFSOU-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-104538
c12CN(CCCn1nc(CNC(=O)Cn1ccnc1CC)c2)C(=O)C1CCC1	EMOLS-id_46027295,ZINC22_91655852,PC-id_72840771,MCULE-1566456015	384.475	BLNJEWYSRIKZRR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-104539
c1(cn2c(CCN(CC3CCOC3)CC2)n1)C(=O)N1CCc2c([nH]c(n2)C)C1	EMOLS-id_337696446,MCULE-3030361702	384.475	YBHQFQKLFMCJJI-UHFFFAOYSA-N	00000010100010000101000000010010000000000000000000000000	31-01-104540
c1(cn2c(CCN(C/C=C(C)/C)CC2)n1)C(=O)N1CCC[C@H]1c1onc(C)n1	MCULE-1923027520,EMOLS-id_337647079,ZINC22_2100555338	384.475	RHJATEKSMPIZNJ-KRWDZBQOSA-N	00000010100000000101100000000010000000000000000000000000	31-01-104541
c1(C(=O)NCc2cc3n(CCCN(C(=O)C4CCC4)C3)n2)c(C)n(nc1C)C	PC-id_72853888,ZINC22_91391186,EMOLS-id_46036899,MCULE-4177801129	384.475	WOEPDRGXPAVATC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-104542
c1(C(=O)NCc2cc3n(CCCN(C(=O)C4CCC4)C3)n2)[nH]nc(C(C)C)c1	EMOLS-id_46079277,PC-id_72912372,ZINC22_91831016,MCULE-9876115462	384.475	POPIHLVYCVIGKH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-104543
c1(C(=O)NC(CC)c2c(cccn2)C)cn2c(CCN(CC2)C(=O)NCC)n1	MCULE-6645464230,EMOLS-id_331088940	384.475	BYFUVRHVMICKMZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104544
Cc1cccc(c1)CC1(O)CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102169012	384.475	KUXWAMWKCIAPGG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104545
Cc1ccccc1N1CCN(CC1)C(=O)Cn1nc2CCC(N)CCn2c1=O	EMOLS-id_50590564,MCULE-9748693896,PC-id_91910892	384.475	QNYPPXFQIJTTMW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104546
Cc1c(CN2CCN(Cc3nnc4n3CCCCC4)CC2)cccc1[N+](=O)[O-]	ZINC22_48262658,EMOLS-id_32026670,PC-id_47053441,MCULE-7921263496	384.475	YCVYDRSBEJPRHF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104547
Cc1nc2c([nH]1)CN(C(=O)c1cn3c(n1)CCN(C[C@@H]1CCOC1)CC3)CC2	ZINC22_2100483489	384.475	YBHQFQKLFMCJJI-HNNXBMFYSA-N	00000010100010000101000000010010000000000000000000000000	31-01-104548
Cc1nc2c([nH]1)CN(C(=O)c1cn3c(n1)CCN(C[C@H]1CCOC1)CC3)CC2	ZINC22_2100483490	384.475	YBHQFQKLFMCJJI-OAHLLOKOSA-N	00000010100010000101000000010010000000000000000000000000	31-01-104549
CC1OC(C)CN(C1)c1ccc(cn1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101949831	384.475	VJZUYKDKIRQHBD-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-104550
CC1OCCN(C1)c1ccc(cn1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101724807	384.475	JSTUKFRJFRQCIR-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-104551
CCc1[nH]nc(c1C)C(=O)NCc1nn2c(c1)CN(CCC2)C(=O)C1CCC1	PC-id_102602828	384.475	FXMSKQZBZCOVMY-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-104552
CCC(=O)NC(c1nnc2n1CCN(CC2)C(=O)c1ccc(nc1)C)C(C)C	ChEMBL-DNDi_CHEMBL13444612,PC-id_45165715	384.475	IOONRPMBBYYHDO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104553
CCNC(=NCc1ccc2c(c1)OCO2)NCCc1nnc2n1CCCCC2	PC-id_111844657	384.475	MNHISGIMZUXGAJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104554
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccc2c(c1)OCO2	PC-id_111379711	384.475	HEYIEKKFGQEZBZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104555
CCNC(=O)N1CCc2nc(C(=O)N[C@@H](CC)c3ncccc3C)cn2CC1	ZINC22_1875246577	384.475	BYFUVRHVMICKMZ-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104556
CCNC(=O)N1CCc2nc(C(=O)N[C@H](CC)c3ncccc3C)cn2CC1	ZINC22_1875246579	384.475	BYFUVRHVMICKMZ-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104557
CN(c1cccc(c1)C(=O)NCc1cc2n(n1)CCCN(C2)C(=O)N(C)C)C	PC-id_72893979,EMOLS-id_46065791,MCULE-2064825303	384.475	MNMFJBXFGQHOFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104558
CN=C(NCc1ccc2c(c1)OCO2)NCCCc1nnc2n1CCCCC2	PC-id_111846195	384.475	XEEYZPZPBQFBIT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104559
CN=C(NCCc1nnc2n1CCCCC2)NCCc1ccc2c(c1)OCO2	PC-id_111379813	384.475	YNQNUQZKFRRVEC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-104560
CNC(=O)c1nccc(c1)OC1CCCN(C1)Cc1nnc2n1CCCCC2	EMOLS-id_319443943	384.475	VKJPQISMIBANIY-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-104561
COc1ccc(cc1)C1CCCCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183177	384.475	GBUGHMSAFPPKRM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104562
COc1ccccc1C1CCC(CN1C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102161101	384.475	SWPSNDQHTBCCHO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104563
COc1ccc(CN2Cc3ncnn3C[C@@H](C(=O)N3CCN(C)CC3)C2)cc1	ZINC22_306125015	384.475	CEPWSHVBRNGGNR-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104564
COc1ccc(CN2Cc3ncnn3C[C@H](C(=O)N3CCN(C)CC3)C2)cc1	ZINC22_306125016	384.475	CEPWSHVBRNGGNR-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104565
COc1ccc(CN2CC(Cn3ncnc3C2)C(=O)N2CCN(C)CC2)cc1	EMOLS-id_55747611	384.475	CEPWSHVBRNGGNR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104566
N#Cc1c(NC(=O)Cn2cnc3ccsc3c2=O)sc2c1CCCCC2	CoCoCo_4406417,EMOLS-id_16789932,MCULE-5109742874,ZINC22_12772712,PC-id_25500024	384.475	LVZWKPHGJQBOSQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104567
N#Cc1c(NC(=O)Cn2cnc3sccc3c2=O)sc2c1CCCCC2	EMOLS-id_24988521,PC-id_27687405,MCULE-1448573867,ZINC22_17480222,CoCoCo_3268377	384.475	LNXUYJBUQJMFJJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104568
OC1CCN(CCCN2CCN(CC2)c2ncccn2)C(=O)c2c1n(cc2)C	PC-id_10596195,SCHEMBL6775033	384.475	RVERUDNFMZFNIS-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-104569
O=C(C1CCN(C1)C(=O)c1n[nH]c2c1CCCCCC2)Nc1cnn(c1C)C	ASN-27752365	384.475	SLWAOTVVBVAEOW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-104570
O=C(C(c1cccnc1)N1CCOCC1)N1CCn2c(CC1)nnc2C(C)C	ChEMBL-DNDi_CHEMBL19427032	384.475	DQPVNMNGRCYPFR-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-104571
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Nc1cccc(n1)CN1CCOCC1	EMOLS-id_316748545	384.475	AYHSSDFPTVRGRN-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-104572
O=C(N1CCN(CC1)c1c(O)cccc1)NCCc1n2CCCCCc2nn1	PC-id_52216029	384.475	ALCOISXUTIXBMR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104573
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(OCC)nccc1	PC-id_51304056	384.475	BBUHNAVGBMOIJM-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-104574
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Nc1cc(OC)ccc1	PC-id_51328318	384.475	VNAIPQVAILJNMC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104575
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Nc1c(OC)cccc1	PC-id_51324847	384.475	KZKCCIPUNKZDBI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104576
O=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1)N1CCOCC1	PC-id_86831398	384.475	YHXOXVDAWOAZLX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104577
O=C(NCCc1n2CCCCCc2nn1)c1ccc(NC(=O)NC(C)C)cc1	PC-id_60496448	384.475	PLXNIIPYBJHBCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104578
O=C(NCCc1n2CCCCCc2nn1)c1cc(NC(=O)NC(C)C)ccc1	PC-id_55651962	384.475	QOGLHFFKOQVYIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104579
c1ccc(Cc2nc3n(n2)CCN(Cc2cccc(n4cccn4)c2)CC3)cc1	MCULE-5770913401,EMOLS-id_337811014,ZINC22_2356153284	384.477	AKQURQLOFVQSPV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104580
CCc1nnsc1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	EMOLS-id_46026435,PC-id_72839629,MCULE-9529634830,ZINC22_91505558	384.477	XFSSWKSCJJAMPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104581
C1CCc2nnc(n2CC1)/C(=C(/CSc1ncnc2c1ccs2)O)/C#N	PC-id_135721552	384.479	POYQIWQLSYVEJK-SEYXRHQNSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104582
c1(NC(=O)CSc2ncnc3[nH]cnc23)sc2c(CCCCC2)c1C#N	PC-id_50754965,MCULE-2003501173,EMOLS-id_30084843	384.479	PBDXROZQAWZVHH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104583
Cc1cc(C)nc(n1)N1CCN(CC1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_99273757	384.479	AMEPCXNSGUTFAA-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-104584
CC(C)c1nnc2CCN(CCn12)C(=O)CN1CCN(CC1)c1ncccn1	EMOLS-id_46620574,PC-id_72879307,MCULE-3783008257,ZINC22_95368368	384.479	BFSACUQSTFODHR-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-104585
CCC(c1nnc2n1CCCCC2)NC(=O)N1CCN(CC1)c1nccnc1	MCULE-7546563310,EMOLS-id_100565902	384.479	SGZMWETWPWFRLX-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-104586
CC[C@H](/N=C(/O)N1CCN(c2cnccn2)CC1)c1nnc2n1CCCCC2	ZINC22_330197794	384.479	SGZMWETWPWFRLX-HNNXBMFYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-104587
CC[C@@H](/N=C(/O)N1CCN(c2cnccn2)CC1)c1nnc2n1CCCCC2	ZINC22_330197795	384.479	SGZMWETWPWFRLX-OAHLLOKOSA-N	00000000100010100101100000000010000000000000000000000000	31-01-104588
CN1CCN(CC1)c1ccc(c(c1)C)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102029543	384.479	TYSDACXHZPDQEZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104589
O=C1N(N=C2[NH+]1C=CC=C2)C[NH+]1CCN(CC1)Cc1n2CCCCCc2nn1	PC-id_85478745	384.479	VQQSXFGVVHLXEU-UHFFFAOYSA-P	00000011100011000101000000000110000000000000000000000000	31-01-104590
O=C(N1Cc2n(nc(CN3CCC(CC3)c3n[nH]nn3)c2)CCC1)C1CCC1	PC-id_56905816	384.479	CIORYUPAOZHBJG-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-104591
O=C(Nc1cnc(c(c1)C)N1CCCCC1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102016408	384.479	FIDQVAFUPFHCLA-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-104592
s1c2CCCCCc2c(c1NC(=O)CSc1nc(N)c(cn1)C#N)C#N	PC-id_29960702	384.479	IOCLQHSAJPOFKC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-104593
s1c2CCCCCc2c(c1NC(=O)CSc1nn2c(n1)nccc2)C#N	PC-id_41351401	384.479	DCEJYUMMAXWOBO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104594
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1ncnc2sccc12	PC-id_78702619	384.479	LMQJGJRUMBJROF-UHFFFAOYSA-N	00000011100000100111000001000010000000000000000000000000	31-01-104595
S(CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N)c1ncnc2sccc12	PC-id_8459232	384.479	LMQJGJRUMBJROF-NTCAYCPXSA-N	00000011100000100111000001000010000000000000000000000000	31-01-104596
CCOC(=O)c1sc(c2c1OCCCCCCCCCO2)C(=O)OCC	PC-id_101801834	384.487	RBPXSDWXDFVASM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104597
OC(=O)CCCCCCCCC(=O)OCC1(C)COc2c(OC1)csc2	PC-id_101438387	384.487	PLMHNFFTNUNFON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104598
s1c(c2OCC(COc2c1C(=O)OCCCC)(C)C)C(=O)OCCCC	PC-id_59089973	384.487	VLSICWDPUPXOML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104599
C#Cc1sc(c2c1OCC(CO2)(Cc1ccccc1)Cc1ccccc1)C#C	PC-id_58403353,SCHEMBL12390955	384.49	KKHQNDHZMQBSTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104600
COCCN1CCCn2c(C1)cc(n2)CN1CCC(=CC1)c1ccc(cc1)F	MCULE-9386627762,EMOLS-id_43085497,PC-id_56889004	384.49	AEDQEPUOTAVNEK-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-104601
Fc1cccc(c1)N1CCN(CC1)CCCN1CCCc2c(C1=O)ccn2C	PC-id_22738017,SCHEMBL6774014	384.49	DQWOMPKHXZROMK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104602
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)ccn2C	SCHEMBL6773398,PC-id_10548079	384.49	ARYBUOMHQGMGRR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104603
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)cn(c2)C	PC-id_22737946,SCHEMBL6776218	384.49	SIZGSXNFIQRGEJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104604
Fc1ccc(CC2C(NC(=O)CCc3nn4c(c3)CNCCC4)CCC2)cc1	PC-id_77899864	384.49	CFYJCSQBBZJHJZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104605
Fc1ccc(C[C@@H]2CCC[C@@H]2NC(=O)CCc2cc3CNCCCn3n2)cc1	MCULE-4156692288,PC-id_70715051,EMOLS-id_43073473,ZINC22_72433145	384.49	CFYJCSQBBZJHJZ-UWJYYQICSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104606
Fc1ccc(N2CCN(CCCN3Cc4c(C(=O)CC3)cn(c4)C)CC2)cc1	PC-id_59897836	384.49	GAFZNOQRNWYXTA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104607
Fc1ccc(N2CCN(CCCN3Cc4c(n(cc4)C)C(=O)CC3)CC2)cc1	PC-id_59987743	384.49	BYLSRYSJQTYFIG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104608
O=Cc1ccc2-c1ccccc2C(S(=O)c1ccccc1)C1C=CC=CC=C1	PC-id_101635970	384.49	VKWHFSCGVXUABV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-104609
c1(c2CCCCCc2sc1NC(=O)c1ccccc1)C(=O)N1CCOCC1	EMOLS-id_1230881,MCULE-2443113044,BAS-00486682,ZINC22_727184,SPECS-id_AE-848/34090077,PC-id_1049752,CoCoCo_81708	384.492	SCSPOPPSSKLMIE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104610
c1ccc2-c(c(cc2)C#Cc2c(scc2)C#Cc2c3-c(ccccc3)cc2)cc1	PC-id_90811448	384.492	AKOAYACYJPAYEI-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-104611
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C#N	PC-id_1009174,SPECS-id_AK-968/12573262,ZINC22_669018,CoCoCo_5819908,MCULE-4138403139,EMOLS-id_4062271,TIMTEC494726	384.492	VBOMDMQMASCHTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104612
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCCCCC2)c1C(=O)N	PC-id_1219786,MCULE-1297342540	384.492	UMNDGBKVEDUVJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104613
COc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)N)CCCCCC2	CoCoCo_683331	384.492	UMNDGBKVEDUVJC-RAXLEYEMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104614
COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N)CCCCCC3)cc1	SPECS-id_AK-968/11841322,EMOLS-id_2095343,PC-id_2162699,TIMTEC481296,ZINC22_994661,CoCoCo_683330	384.492	UMNDGBKVEDUVJC-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104615
COC(=O)C1(c2cccc(NC(=O)c3cc4c(s3)CCCNC4)c2)CCC1	ZINC22_1875292263	384.492	BTGLYUWEDPCXKD-UHFFFAOYSA-N	00001000100000110100100000000010000000000000000000000000	31-01-104616
Oc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_110296202	384.492	PFFPJLUOMKAGRB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104617
Oc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_111839358	384.492	ZLVJBQQVZGJVQT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104618
O=C(c1cc2c(s1)CCCCC2)N1CCN(CC1)C(=O)c1ccccc1O	EMOLS-id_111841433	384.492	RBYWITNYCMSZOF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104619
O=C(C1CCCO1)Nc1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_99078835	384.492	OEJMJOGXJUWXCA-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-104620
s1c2CCCCCc2cc1C(=O)NNC(=O)CCC(=O)c1ccc(cc1)C	PC-id_26778423	384.492	CPEPMHCECJRWGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104621
s1c2c(CCCCC2)c(c1NC(=O)CN1CCc2c1cccc2)C(=O)OC	PC-id_22199861	384.492	JUDRMQAJNJEAGG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-104622
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1cc2CCOc2cc1	PC-id_55494563	384.492	YXAOOMAXPRVMIN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-104623
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCC(=O)c1ccccc1	PC-id_9441688	384.492	FKNXBIDKABLMOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104624
CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)CCS(=O)(=O)C)CCC2	ZINC22_1565555296,EMOLS-id_313790008	384.494	WOCNQUPWTAGEAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104625
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CC1)c1cccc(c1)F	PC-id_111639446	384.494	PWFVNPRRGCEGAL-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-104626
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CC1)c1ccccc1F	PC-id_112250259	384.494	PXZVOJVJQVADLL-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-104627
CN(C1CCCCC1S(=O)(=O)C)C(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_71874041,MCULE-2509385821,EMOLS-id_43648206	384.494	UTONRBGOZCCDBJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104628
CN=C(N1CCC(C1)Cc1ccc(cc1)F)NCc1nnc2n1CCCCC2	PC-id_119143616	384.494	CVRICWGJLSLJPQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104629
CN=C(NCC1(CC1)c1cccc(c1)F)NCCc1nnc2n1CCCCC2	PC-id_111638562	384.494	YIQBCCHTKFXEQG-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-104630
CN=C(NCC1(CC1)c1ccccc1F)NCCc1nnc2n1CCCCC2	PC-id_112252923	384.494	RJVWJVFCPGYTFQ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-104631
CN(C(=O)Cn1nc2n(c1=O)CCCCC2)[C@@H]1CCCC[C@@H]1S(=O)(=O)C	PC-id_96508505,ZINC22_78870283	384.494	UTONRBGOZCCDBJ-KGLIPLIRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104632
CN(C(=O)Cn1nc2n(c1=O)CCCCC2)[C@H]1CCCC[C@@H]1S(=O)(=O)C	ZINC22_78870284,PC-id_96508506	384.494	UTONRBGOZCCDBJ-KBPBESRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104633
CN(C(=O)Cn1nc2n(c1=O)CCCCC2)[C@@H]1CCCC[C@H]1S(=O)(=O)C	ZINC22_78870285,PC-id_96508507	384.494	UTONRBGOZCCDBJ-ZIAGYGMSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104634
CN(C(=O)Cn1nc2n(c1=O)CCCCC2)[C@H]1CCCC[C@H]1S(=O)(=O)C	ZINC22_78870286,PC-id_96508508	384.494	UTONRBGOZCCDBJ-UONOGXRCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104635
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)NCCCN1CCOCC1	EMOLS-id_317424506,MCULE-4463107988	384.494	TXMLFYMMDPOPLK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104636
CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@H](O)C3CCCCC3)cc2C1	EMOLS-id_46091569,ZINC22_92001727,PC-id_72929293,MCULE-3212584662	384.494	YDXRTPNHXOEVCR-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104637
S1(=O)(=O)CC(N(CCCC)C(=O)Cn2nc3n(CCCCC3)c2=O)CC1	PC-id_55478156	384.494	IIYSPZJINADHKM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-104638
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cc2c(cccc2)s1	MCULE-9177635622,EMOLS-id_46055439,ZINC22_91617112,PC-id_72879844	384.495	TXIUUNFPDVQRIR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104639
c1(sc2c(CCCCCC2)n1)NC(=O)C1CC(=O)N(Cc2ccccn2)C1	MCULE-1642870355,EMOLS-id_316249401	384.495	MZRSRQXJPZZSSU-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-104640
CCCOC(=O)c1c(OCC)c(c2-c1cc(Br)ccc2)C(=O)OCC	PC-id_141346766	409.271	AIMNCFMVWPRFEI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118970
c1(sc2c(CCCCCC2)n1)NC(=O)C1CC(=O)N(Cc2ccncc2)C1	PC-id_46971603,SYN-20046460,EMOLS-id_30439227,MCULE-5659952293	384.495	LOFOZZPVWFQXSC-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-104641
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1Cc1ccco1	CoCoCo_3081675,EMOLS-id_3551018,MCULE-2022188024,PC-id_7876913,ZINC22_6097472	384.495	SXAUBZXTXUVLFA-UHFFFAOYSA-N	00000000111000000101000000000010000000000000000000000000	31-01-104642
CC[C@@H](C(=O)NCc1nnc2n1CC[N@H+](CC2)Cc1ccc2c(c1)CCO2)C	GD-id_ZINC11788339	384.495	PCPMUOBKONUHHJ-HNNXBMFYSA-O	00000010100000100101000000001010000000000000000000000000	31-01-104643
Cn1c(=O)n(CCC(=O)Nc2nc3c(s2)CCCCCC3)c2ccccc12	PC-id_53508265,ZINC22_65487676,MCULE-4364789206,EMOLS-id_35734377	384.495	PFEMBLMVQFNRGX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104644
COc1ccccc1c1ncc(CN2CCCn3nc(cc3C2)C(C)O)s1	PC-id_90649001,EMOLS-id_50531927,MCULE-3641482712	384.495	IVFOYIPBUBYERV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104645
COc1ccccc1c1ncc(CN2CCCn3nc([C@@H](C)O)cc3C2)s1	PC-id_100040247,ZINC22_219389950	384.495	IVFOYIPBUBYERV-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104646
COc1ccccc1c1ncc(CN2CCCn3nc([C@H](C)O)cc3C2)s1	ZINC22_219390016,PC-id_100040249	384.495	IVFOYIPBUBYERV-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104647
N#Cc1c(NC(=O)CN2CCCC2c2onc(c2)C)sc2c1CCCCC2	EMOLS-id_98045932	384.495	RDWMNPBFMOKUCW-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-104648
N#Cc1c(=O)[nH]c(c(c1C)CCC(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_98550713	384.495	KPYKQZULRKNNGZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104649
O=C(/C=C/c1cccs1)N1CCCn2ncc(C(=O)NC3CCCC3)c2C1	ZINC22_2055751167,EMOLS-id_313766592	384.495	ONUWNSBTZLGYPY-CMDGGOBGSA-N	00000010100100000101000000000010000000000000000000000000	31-01-104650
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)Cc1ccco1)C	CoCoCo_3081677,CoCoCo_3081678	384.495	IGOKHJFQWJFDBV-QGOAFFKASA-N	00000000111000000101000000000010000000000000000000000000	31-01-104651
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)Cc1ccco1)C	CoCoCo_3081679,CoCoCo_3081676	384.495	IGOKHJFQWJFDBV-AQTBWJFISA-N	00000000111000000101000000000010000000000000000000000000	31-01-104652
O=C(N1CCN(CC1)C(=O)c1ccccc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110340617	384.495	ORLRPEIFLIVFGB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104653
O=C(N1CC[NH+](CC1)Cc1n2CCCCCc2nn1)COc1c(cccc1)C	PC-id_40813345	384.495	MWSAUAUJKLITDQ-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-104654
O=C(Nc1ccccc1)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1	EMOLS-id_44303974,PC-id_97442527,ZINC22_96147003	384.495	WXTJETHFCDGMPV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104655
O=C(NC1CCN(C1=O)Cc1ccccc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98032709	384.495	VYIGGYVJHYFBGW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104656
O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1CC(=O)N(Cc2ccccn2)C1	ZINC22_55375706	384.495	MZRSRQXJPZZSSU-CQSZACIVSA-N	00000010100000101101000000000010000000000000000000000000	31-01-104657
O=C(Nc1nc2c(s1)CCCCCC2)[C@H]1CC(=O)N(Cc2ccccn2)C1	ZINC22_55375711	384.495	MZRSRQXJPZZSSU-AWEZNQCLSA-N	00000010100000101101000000000010000000000000000000000000	31-01-104658
O=C(Nc1nc2c(s1)CCCCCC2)[C@H]1CC(=O)N(Cc2ccncc2)C1	CoCoCo_496793,ZINC22_19405162,PC-id_51590917	384.495	LOFOZZPVWFQXSC-HNNXBMFYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-104659
O=C(Nc1nc2c(s1)CCCCCC2)[C@@H]1CC(=O)N(Cc2ccncc2)C1	PC-id_51590916,CoCoCo_496792,ZINC22_19405159	384.495	LOFOZZPVWFQXSC-OAHLLOKOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-104660
O=C(NCc1ccccc1)c1nc2CCN(CCc2s1)C(=O)N1CCCC1	ZINC22_2055785426,EMOLS-id_313790777	384.495	WUZLBTWKDYPNFX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104661
O=C(NCc1ccccc1)N1CCc2nc(C(=O)N3CCCC3)sc2CC1	PC-id_97407245,EMOLS-id_46185305,ZINC22_96088000	384.495	ZTKBCCRSBZAZJQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104662
O=C(NCc1cnc2CCN(CCn12)C(=O)/C=C/c1cccs1)C1CCC1	ZINC22_1565556279,EMOLS-id_313781448	384.495	AWMUGEQUECFJHE-VOTSOKGWSA-N	00001000100100000101000000000010000000000000000000000000	31-01-104663
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(c(OC)cc1)C)C)C1CC1	PC-id_74799741	384.495	RJTDXLSMYDUNGV-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-104664
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(c(OC)cc1)C)C)C1CC1	PC-id_42367198	384.495	RJTDXLSMYDUNGV-OAHLLOKOSA-O	00100000100000110101000000000010000000000000000000000000	31-01-104665
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(c(OC)cc1)C)C)C1CC1	PC-id_42367203	384.495	RJTDXLSMYDUNGV-HNNXBMFYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-104666
s1c2CCCCCCc2cc1C(=O)NCCCn1nc2n(c1=O)cccc2	PC-id_75901867	384.495	GBJDUBPEUCFVSL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104667
s1c2CCCCCCc2nc1NC(=O)c1ccc(NC(=O)NC2CC2)cc1	PC-id_56021601	384.495	PLBCZGJBGMDROK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-104668
s1c2CCCCCCc2nc1NC(=O)c1cc(NC(=O)NC2CC2)ccc1	PC-id_56021730	384.495	OJCCYGWGEIOVEG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-104669
CN(C1CCN(C1)S(=O)(=O)C)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_100521990	384.497	ANKFWICVZRDQDM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-104670
O=C(N1CCCC(C1)CNS(=O)(=O)C)NCc1nnc2n1CCCCC2	EMOLS-id_110470411	384.497	SXXAOPOHIYDKJR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104671
O=C(N1CCCN(CC1)S(=O)(=O)C)NCCc1nnc2n1CCCCC2	EMOLS-id_110378896	384.497	ZVWGLNYGRQYNIJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104672
O=C(NC1CCCN(C1)S(=O)(=O)C)NCCc1nnc2n1CCCCC2	EMOLS-id_97913471	384.497	RSOARCFLHPWTQY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104673
O=C(NCc1nnc2n1CCCCC2)NCC1CCN(CC1)S(=O)(=O)C	EMOLS-id_97907005	384.497	QUUXAPNCZMISFY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104674
c1(c2cccs2)cc([nH]n1)CN(C)C(=O)NCc1c2CCCCCc2[nH]n1	ZINC22_426589974,MCULE-3258969855,PC-id_121508006,EMOLS-id_177466583	384.498	MPKVVNFADSCQBL-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-104675
c1(c(C)n(nc1C)CC)c1n[nH]c(C(=O)Nc2sc3c(CCCCC3)n2)c1	MCULE-1771194040,EMOLS-id_323240393	384.498	PJERNONJGLRAIP-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-104676
c1(C(=O)NC(CCSC)c2nnc3ccccn23)c2CCCCCc2n[nH]1	EMOLS-id_301043512,PC-id_75356815,EMOLS-id_50401512,MCULE-9364904978	384.498	DMVKHPGXSPAIAI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104677
c1(C(=O)N[C@@H](CCSC)c2nnc3ccccn23)c2CCCCCc2[nH]n1	EMOLS-id_49248568,MCULE-6341004457,ZINC22_96231802,STOCK7S-47066,PC-id_75490141	384.498	DMVKHPGXSPAIAI-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104678
Cc1c(CCC(=O)Nc2sc3c(CCCCCC3)n2)c(C)n2c(ncn2)n1	PC-id_60572214,MCULE-5064397987,ZINC22_55375059,EMOLS-id_316198374	384.498	RGPBWEZNRKDELN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104679
Cc1cc(NCCNC(=O)c2sc3c(c2)CCCCCC3)n2c(n1)ncn2	PC-id_86875572	384.498	XRSOWWCFCJDTNH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104680
CCc1nc(C)c2c(C)c(C(=O)NCc3nnc4n3CCCCC4)sc2n1	EMOLS-id_17222258,MCULE-1561215799,PC-id_24250792,CoCoCo_4632538,ZINC22_24928384	384.498	ZWZWSDSKFKHRRU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104681
CSCC[C@@H](NC(=O)c1n[nH]c2c1CCCCC2)c1nnc2ccccn12	ZINC22_190302736,PC-id_99830415	384.498	DMVKHPGXSPAIAI-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104682
s1c(n2c(c(C(=O)NCCc3n4CCCCCc4nn3)cc2C)C)ncc1	PC-id_78864661	384.498	TUSCGFCIRHSSMW-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-104683
O(C(=O)c1ccc(/C=C/C=C/c2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1)C	PC-id_23257849	384.51	YYFAUKHYFLVCSQ-CDJQDVQCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-104684
O(C(=O)c1ccc(C=CC=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1)C	PC-id_74036497	384.51	YYFAUKHYFLVCSQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-104685
CCCCc1cc2n(c1C(=O)c1cccn1C)CCCCC2C(=O)OC(C)C	PC-id_70534869,SCHEMBL11197140	384.512	KCZTZDMMHAGKCP-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-104686
CCCCn1cccc1C(=O)c1c(C)cc2n1CCCCC2C(=O)OC(C)C	SCHEMBL11201149,PC-id_70536025	384.512	VNTTZYAHFYDXOQ-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-104687
CCCn1cccc1C(=O)c1c(CC)cc2n1CCCCC2C(=O)OC(C)C	SCHEMBL11200649,PC-id_70535869	384.512	LGIUTUVBPQDCPH-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-104688
O=C(c1cn(c2=CCC=CC(=c12)C)CC1(O)COC1)NCC1CCCCCC1	PC-id_144482047	384.512	OPWWBTWUKATMDE-UHFFFAOYSA-N	00001000100000000110000000000010000000000000000000000000	31-01-104689
s1c2CCCCCCCCCCc2c(c1NC(=O)c1ccccc1)C(=O)[O-]	PC-id_1724405	384.512	SBJSAQYHHVYFOB-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-104690
[C@H]1(NS(=O)(=O)C)[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cc2c(CCCCC2)s1	EMOLS-id_55673401,ZINC22_222564311,MCULE-2463659841	384.513	HIVHVDUPQKRXKM-MSQAHXEGSA-N	00001010100000000100001000000010000000000000000000000000	31-01-104691
CS(=O)(=O)NC1C(C2C1OCC2)NC(=O)c1cc2c(s1)CCCCC2	PC-id_91784678	384.513	HIVHVDUPQKRXKM-UHFFFAOYSA-N	00001010100000000100001000000010000000000000000000000000	31-01-104692
CS(=O)(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc2c(s1)CCCCC2	ZINC22_1074545306	384.513	HIVHVDUPQKRXKM-MWNCTCPHSA-N	00001010100000000100001000000010000000000000000000000000	31-01-104693
O=C(C(NC(=O)c1cc2c(s1)CCCCC2)C)N1CCS(=O)(=O)CC1	EMOLS-id_110807949	384.513	MKLPHASELMNSAC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104694
s1c2c(CCCCC2)c(c1NC(=S)NCC(=O)OCC)C(=O)OCC	PC-id_19651719	384.513	YSXXMVSTBJTZEB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-104695
s1c2c(CCCCCC2)c(c1NC(=S)NCC(=O)OCC)C(=O)OC	PC-id_19651714	384.513	RHBXNISOFCXDLA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-104696
S1(=O)(=O)CC(CC1)CC(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_60216167	384.513	WXLCVGWVHWCZMY-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-104697
S1(=O)(=O)C[C@@H](CC1)CC(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_9426563	384.513	WXLCVGWVHWCZMY-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-104698
S1(=O)(=O)C[C@H](CC1)CC(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_9426564	384.513	WXLCVGWVHWCZMY-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-104699
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CCC(C)c1ccc(C)o1	EMOLS-id_46061961,MCULE-9562233699,PC-id_72888585	384.515	XKVULGNIQGVDHM-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-104700
Cc1ccc([C@@H](C)CCN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)o1	PC-id_97131777,ZINC22_91650503	384.515	XKVULGNIQGVDHM-INIZCTEOSA-N	00001000101000000101000000000010000000000000000000000000	31-01-104701
Cc1ccc([C@H](C)CCN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)o1	PC-id_97131778,ZINC22_91650505	384.515	XKVULGNIQGVDHM-MRXNPFEDSA-N	00001000101000000101000000000010000000000000000000000000	31-01-104702
CCOc1ccc(cc1)CC(CNC(=O)N1Cc2cn[nH]c2CC(C1)(C)C)C	EMOLS-id_316878829,MCULE-1992578568	384.515	JWEASZOIKXVUQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104703
CCOc1ccc(C[C@H](C)CNC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc1	ZINC22_663212918	384.515	JWEASZOIKXVUQE-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104704
CCOc1ccc(C[C@@H](C)CNC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc1	ZINC22_663212919	384.515	JWEASZOIKXVUQE-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104705
CNCCN(C(=NCC)/C=CCNC(=O)c1oc2c(c1C)C=CC=CC2)CC	PC-id_144152419	384.515	QDGMOXQWEZKMJZ-WKUBGFEDSA-N	00000000100000000110000000000010000000000000000000000000	31-01-104706
COc1ccc(cc1)C1(O)CCN(CC1)CCCc1nnc2n1CCCCC2	SCHEMBL7959437,PC-id_15521158	384.515	REWTYPAJRRZVFH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104707
COc1ccc(cc1)CCN(C(=O)C1CCn2c(CC1)nnc2)CC(C)(C)C	EMOLS-id_319327046	384.515	OWXLZLQFXRNMMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104708
COc1cccc(c1)CN(C1CCC(CC1)O)Cc1nnc2n1CCCCC2	EMOLS-id_98184325	384.515	MSPIXFRFLFZNHA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104709
COc1ccc(cc1OCC(=C)C)CNCCCc1nnc2n1CCCCC2	EMOLS-id_51656224,MCULE-7561570734,PC-id_119110705	384.515	BQSSHIHRXGNFBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104710
O(c1ccc(C(C)(C)C)cc1)CCCC(=O)NCc1n2CCCCCc2nn1	PC-id_51266260	384.515	AVSMGORHUWFKKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104711
O=c1n2CCCCCc2nn1CC(=O)NC(C(C)C)c1ccc(cc1)CCC	PC-id_43059748	384.515	RJIMABQFVAARQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104712
O=C(c1occc1CSc1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_112807883	384.515	MGCZRUWVXUWTJQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-104713
O(C(C(=O)NCCc1n2CCCCCc2nn1)C)c1c(C(C)C)ccc(c1)C	PC-id_55823152	384.515	XBDYCXHDZPJRMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104714
s1c2CCCCCc2cc1C(=O)Nc1c(OCc2ncsc2)cccc1	PC-id_56317328	384.515	PVVZUYHOSFEDII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104715
s1c2CCCCCc2cc1C(=O)Nc1scc(n1)c1ccc(OC)cc1	PC-id_7948023	384.515	GFYFIEWWHRDSCR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104716
s1c2CCCCCc2c(c1NC(=O)C[NH+](Cc1cc(OC)ccc1)C)C#N	PC-id_2698257	384.515	RDZFNBPBHQFOEW-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-104717
s1c2CCCCCCc2cc1C(=O)OCc1nc(sc1)c1ncccc1	PC-id_18228656	384.515	DPPJIJWVQXMRRA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-104718
c12SC/C(=NNC(=O)COc3ccccc3)/CSc1sc(=O)s2	MCULE-3339727465,EMOLS-id_6773309,PC-id_555753,CoCoCo_1956510	384.517	XIIXCDNFOQAISP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104719
n12c(nnc1CCCCC2)C(Cc1ccc(cc1)C)(Cc1ccc(cc1)C)C#N	PC-id_2442940	384.517	BJPIQRRDRHTSBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104720
O=C([C@@H]1CCCN1C(=O)Nc1nc2c(s1)CCCCC2)N=S(=O)(C)C	EMOLS-id_278109859	384.517	GOXLMGWLQUHPDT-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-104721
S1CC(=CSc2sc(=O)sc12)NNC(=O)COc1ccccc1	PC-id_4118235	384.517	BQNKTPXBPJDLSI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-104722
S1(=O)(=O)C[C@H](N(C2CC2)C(=O)CSc2n3CCCCCc3nn2)CC1	PC-id_8211675	384.517	DTXXWYQGBUSWEX-CYBMUJFWSA-N	00100010100000000101000000000010000000000000000000000000	31-01-104723
S1(=O)(=O)C[C@@H](N(C2CC2)C(=O)CSc2n3CCCCCc3nn2)CC1	PC-id_8211678	384.517	DTXXWYQGBUSWEX-ZDUSSCGKSA-N	00100010100000000101000000000010000000000000000000000000	31-01-104724
S1(=O)(=O)CC(N(C2CC2)C(=O)CSc2n3CCCCCc3nn2)CC1	PC-id_78633570	384.517	DTXXWYQGBUSWEX-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-104725
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cc([nH]n1)C(C)(C)C	MCULE-2269158317,EMOLS-id_46071437,PC-id_72901653,ZINC22_91745488	384.518	GAZQHLVSLJFUDS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-104726
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1c[nH]c(CCCC)n1	MCULE-9265729230,EMOLS-id_46035875,ZINC22_91381104,PC-id_72852464	384.518	OIIBDBDUMDYGLG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-104727
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(CC(C)C)CCn12	EMOLS-id_20717443,MCULE-1103715349,PC-id_45244824	384.518	XKTVQZNAVJIKQO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104728
c1(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)c(C)nn(CC)c1C	PC-id_72900175,ZINC22_91724446,MCULE-6321643126,EMOLS-id_46070361	384.518	KHXXJAUUFOTVAN-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-104729
c1(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cn(nc1C)CCC	ZINC22_91985530,EMOLS-id_46089537,MCULE-8876181405,PC-id_72926554	384.518	JMXYAWMJEMMKLS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-104730
c1(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cnn(CCC)c1C	PC-id_72895149,MCULE-1142525694,ZINC22_91680667,EMOLS-id_46066649	384.518	ANENBRRFHXDFSW-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-104731
c1(sc2c(CCCCC2)n1)NC(=O)c1csc(NCc2ccccc2)n1	EMOLS-id_323439476,MCULE-8191590294	384.518	WLWFZXMDSSWSLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104732
Cc1nccn1CCC1CCCCN1C(=O)NCc1n[nH]c2CCCCCc12	EMOLS-id_177478430,MCULE-2292420740,PC-id_121509562	384.518	GWFPYBSSKKTXBW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104733
Cc1nccn1CC[C@@H]1CCCCN1C(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_426628726	384.518	GWFPYBSSKKTXBW-KRWDZBQOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104734
Cc1nccn1CC[C@H]1CCCCN1C(=O)NCc1n[nH]c2c1CCCCC2	ZINC22_426628727	384.518	GWFPYBSSKKTXBW-QGZVFWFLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-104735
CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(CC(C)C)CC2	CoCoCo_1597224,CoCoCo_1597223,ZINC22_20542900	384.518	XKTVQZNAVJIKQO-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104736
CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(CC(C)C)CC2	CoCoCo_1597225,ZINC22_20542903,CoCoCo_1597226	384.518	XKTVQZNAVJIKQO-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104737
CC(C)C(=O)NCCc1nnc2CCN(Cc3ccc(cc3)N(C)C)CCn12	PC-id_42163131,EMOLS-id_20465245,MCULE-6904245060,CoCoCo_1221411,ZINC22_11783133,CoCoCo_1221412	384.518	AOYYEBKHGPRDPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104738
CCCOc1cc(C)ccc1CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_109627651	384.518	AQLSYMYINQJKTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104739
CCNC(=NCc1ccc(cc1OCC)C)NCc1nnc2n1CCCCC2	PC-id_109679789	384.518	PFEOUJAKISXHGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104740
CCNC(=NCc1ccc(cc1OC)C)NCCc1nnc2n1CCCCC2	PC-id_109711839	384.518	DYQCRTCQVJAIOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104741
CCNC(=NCc1ccccc1OCC)NCCc1nnc2n1CCCCC2	PC-id_111880407	384.518	NAJBHQHQVCBPLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104742
CCNC(=NCc1ccc(cc1)OC)NCCCc1nnc2n1CCCCC2	PC-id_111183468	384.518	RDPWVZURUUDCRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104743
CCNC(=NCc1ccccc1OC)NCCCc1nnc2n1CCCCC2	PC-id_111216409	384.518	QWZKCJJJDDUFPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104744
CCNC(=NCc1cccc(c1)OC)NCCCc1nnc2n1CCCCC2	PC-id_111249961	384.518	GMBWUVLGWYTGOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104745
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)OCC)C	PC-id_111275171	384.518	HCCXPGUQYYSFGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104746
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccc(c(c1)OC)C	PC-id_111589820	384.518	NMVBHHLKABJYAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104747
CCNC(=NCc1nnc2n1CCCCC2)NCCc1cc(C)ccc1OC	PC-id_111388648	384.518	SIXLRGFZLJKIHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104748
CCNC(=NCc1nnc2n1CCCCC2)NCC(Oc1cccc(c1)C)C	PC-id_111685938	384.518	VGPMKUMAVQQRNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104749
CCNC(=NCc1nnc2n1CCCCC2)NCC(Oc1ccccc1C)C	PC-id_111686990	384.518	FUDYIWBNBJIJBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104750
CCNC(=NCC(c1ccccc1)(O)C)NCCc1nnc2n1CCCCC2	PC-id_109418118	384.518	XBKUABXODXWGSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104751
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc(cc1)OC	PC-id_111169850	384.518	RUIBLCSGQQUCQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104752
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccccc1OC	PC-id_111339759	384.518	YUQMXTKVXKLVRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104753
CCNC(=NCCc1nnc2n1CCCCC2)NCCOc1ccc(cc1)C	PC-id_111277647	384.518	PPSATSSUDDWPTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104754
CCNC(=NCCC(c1ccccc1)O)NCCc1nnc2n1CCCCC2	PC-id_111665046	384.518	CHICFVSJQDPKFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104755
CCNC(=NCCCc1nnc2n1CCCCC2)NCCOc1ccccc1	PC-id_111005567	384.518	YBVWWWCFLHZPEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104756
CCNC(=NCCCOc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111418065	384.518	UQIIZCXOSWUCIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104757
CCOc1ccccc1CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111880833	384.518	GJXNHGHBLLIRHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104758
CCOc1cc(C)ccc1CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_109679801	384.518	BNVMJXFUHDKXEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104759
Cn1ncc2c1CCCN(C2)CC1(COC1)CN1CCCc2c(C1)cnn2C	EMOLS-id_101742802	384.518	SYPIHYZUWAVONS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-104760
CN=C(NCc1ccc(cc1OC)C)NCCCc1nnc2n1CCCCC2	PC-id_109710545	384.518	HQLMWSUVCTZHHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104761
CN=C(N(Cc1ccccc1OC)C)NCCCc1nnc2n1CCCCC2	PC-id_111282695	384.518	UPZCNRNSOBVMQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104762
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1OC(C)C)C	PC-id_109628956	384.518	BZOXEZYGHSCTJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104763
CN=C(NCc1nnc2n1CCCCC2)NCc1ccccc1OC(C)(C)C	PC-id_111690236	384.518	SQCRPDGLLOGUFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104764
CN=C(NCc1nnc2n1CCCCC2)NCC(COCc1ccccc1)C	PC-id_109568451	384.518	UHUSNPSESZYFEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104765
CN=C(NCc1nnc2n1CCCCC2)NCCCOC(c1ccccc1)C	PC-id_111402873	384.518	PIRLLWZVCCMLRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104766
CN=C(NCCc1ccc(cc1)OC)NCCCc1nnc2n1CCCCC2	PC-id_111170331	384.518	GOSGNJWDTIQSKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104767
CN=C(NCCc1ccccc1OC)NCCCc1nnc2n1CCCCC2	PC-id_111340735	384.518	OPOWUVSDIQEKHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104768
CN=C(NCCc1cc(C)ccc1OC)NCCc1nnc2n1CCCCC2	PC-id_111388736	384.518	FWIZDBMBMMDWBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104769
CN=C(NCCc1nnc2n1CCCCC2)NCCc1ccc(c(c1)OC)C	PC-id_111589474	384.518	QEBUDCRKRRLMHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104770
CN=C(NCCCc1nnc2n1CCCCC2)NCCCOc1ccccc1	PC-id_111418717	384.518	LWMQRZUDZLKIGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104771
CN=C(NCCCc1nnc2n1CCCCC2)NCCOCc1ccccc1	PC-id_112075178	384.518	RIAUDBZJTCPGAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104772
CN=C(NCC(Oc1cccc(c1)C)C)NCCc1nnc2n1CCCCC2	PC-id_111685324	384.518	RDPZECWIIROUGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104773
CN=C(NCC(Oc1ccccc1C)C)NCCc1nnc2n1CCCCC2	PC-id_111686366	384.518	VXNMOQMBWXNOKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104774
CN=C(N(CCOc1ccccc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111274431	384.518	AAIWJDPIWACIRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104775
CN=C(NCCOc1ccc(cc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111277763	384.518	LFLLWGKILJICRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104776
COc1ccc(cc1)C(CCNC(=NC)NCc1nnc2n1CCCCC2)C	PC-id_111640790	384.518	VLWMUTRKUSDHQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104777
COc1ccc(cc1)CN(C(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111272895	384.518	OILLATAPCSJSJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104778
O=C(Nc1nc2c(s1)CCCCCC2)c1ccc(n2cc[nH]c2=S)cc1	EMOLS-id_75954283,ZINC22_69370063,PC-id_53522393	384.518	WAHPHJSCTYLTOE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104779
O=C(Nc1nc2c(s1)CCCCCC2)c1cnc(S)n1c1ccccc1	EMOLS-id_50310257,MCULE-7844731008,PC-id_99781002,ZINC22_170591859	384.518	OUHPYYWAJFQOTK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104780
s1c2CCCCCc2nc1NC(=O)c1cc(n2c(SC)ncc2)ccc1	PC-id_55766881	384.518	NRFPQHIXXBGNEX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104781
s1c2CCCCCCc2nc1NC(=O)c1sc(nc1C)c1ncccc1	PC-id_56021336	384.518	CVURJKJYFFFQPG-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-104782
s1cc(nc1C)COc1ccc(C[NH2+]Cc2n3CCCCCc3nn2)cc1	PC-id_51924239	384.518	MZXQCYRDVMDTCH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-104783
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(C(C1)n1ccnc1)C	PC-id_109763525	384.522	KBBXQHIEMDGVQW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-104784
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(C1)c1cnn(c1)C	PC-id_111742787	384.522	HRSQVORNKCFJPV-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-104785
CN=C(N1CCC(C1)c1cnn(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_111742669	384.522	PELFVXSZPLMGMN-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-104786
CN=C(NC1CCc2c(C1)nn(c2)C(C)C)NCc1nnc2n1CCCCC2	PC-id_120067365	384.522	IWBQZCZTILVFDQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-104787
S=c1n2c(nn1C[NH+](C(c1ccc(n3ncnc3)cc1)C)C)CCCCC2	PC-id_84970554	384.522	ZZYCIVFMSLMUCU-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-104788
S=c1n2c(nn1C[NH+]([C@H](c1ccc(n3ncnc3)cc1)C)C)CCCCC2	PC-id_9284957	384.522	ZZYCIVFMSLMUCU-HNNXBMFYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-104789
S=c1n2c(nn1C[NH+]([C@@H](c1ccc(n3ncnc3)cc1)C)C)CCCCC2	PC-id_9284959	384.522	ZZYCIVFMSLMUCU-OAHLLOKOSA-O	00000000100000110101100000000010000000000000000000000000	31-01-104790
c1(c2CCCCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccc(cc1)C	ChEMBL-DNDi_CHEMBL3261-0787,MCULE-5263177316,PC-id_1047340,SPECS-id_AG-667/37281039,CoCoCo_1731154,ZINC22_722385,TIMTEC36418,EMOLS-id_8221385	384.535	ABVAWXKJAHZCNK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104791
c1(c2CCCCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccccc1C	PC-id_1047342,SPECS-id_AG-667/37281042,ZINC22_722387,EMOLS-id_2384720,ChEMBL-DNDi_CHEMBL3261-0789,CoCoCo_1731156,MCULE-8133362535	384.535	GDVQJCPYKDIUIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104792
c1(c2CCCCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1cccc(C)c1	EMOLS-id_8221387,CoCoCo_1731155,TIMTEC36419,ZINC22_722386,PC-id_1047341,ChEMBL-DNDi_CHEMBL3261-0788,MCULE-3086892580,SPECS-id_AG-667/37281040	384.535	JEAAUXZKZAVBNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104793
c1(C(=O)N(CC)CC)c2CCCCCc2sc1NC(=O)c1ccccc1C	ZINC22_5205385,PC-id_5140289,CoCoCo_1731229,EMOLS-id_1088359,MCULE-1765292480	384.535	ZNGGGTQDVGCZGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104794
c1(C(=O)N(CC)CC)c2CCCCCc2sc1NC(=O)c1cccc(C)c1	ZINC22_708350,ChEMBL-DNDi_CHEMBL8009-7719,EMOLS-id_6768138,SPECS-id_AG-205/12835037,PC-id_1037709,TIMTEC264374,MCULE-6427510484,CoCoCo_1949939	384.535	KKNCUHGLUXDFSC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104795
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCCCC2)c1C(=O)NC	ZINC22_5055818,EMOLS-id_12121430,CoCoCo_5058691,MCULE-8029130744,PC-id_7475099	384.535	LBKOQXVDPFBDLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104796
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCCCCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL5692186,ZINC22_2736914,PC-id_2163417,CoCoCo_682864,MCULE-5638472799,TIMTEC607177,EMOLS-id_2094953	384.535	ZXFNAPKMGROECE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104797
Cc1cccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCCC3)c1C	CoCoCo_3213366,EMOLS-id_43811072,PC-id_9161229,MCULE-7021372972,ZINC22_8030686	384.535	BGRYUFVZVYDHHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104798
CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_11806447,CoCoCo_4162560,ZINC22_9469860,PC-id_16361130,MCULE-5355007430	384.535	KJJYWKOWFCSMAV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104799
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(s1)CCCCC2	PC-id_9320069,MCULE-5573404202,EMOLS-id_3614385,ZINC22_8186093,CoCoCo_4163431	384.535	HSTXGZFFTFLMSV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104800
COc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1	MCULE-7706919187,EMOLS-id_11843416,CoCoCo_4082215,PC-id_8200715,ZINC22_23762463	384.535	RQKZBVGKQUVMJK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104801
OC1CCN(C1)Cc1ccccc1CNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_99255889	384.535	SDXZWWPNEGOYHU-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-104802
OC1CCN(CC1)c1ccccc1NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_98147718	384.535	NLIQBSCMUKMCLX-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-104803
OC1CCN(CC1)Cc1cccc(c1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_101031847	384.535	GTCJCOVXTMQBBH-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-104804
O=C(c1sc2c(c1)CCCCCC2)N1CCC(CC1)(O)Cc1ccccn1	EMOLS-id_316718261	384.535	NDCLPVJENSDZJM-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-104805
O=C(c1sc2c(c1)CCCCCC2)Nc1ccc(cc1)CN1CCOCC1	PC-id_112796051	384.535	WKNXXNVMUGUDOR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104806
O=C(NCc1ccccc1CN1CCOCC1)c1cc2c(s1)CCCCC2	MCULE-9183373220,EMOLS-id_43941399,CoCoCo_4005756,PC-id_9323751,ZINC22_23804891	384.535	PAHHTXGUPGJHRO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104807
s1c2c(CCCCC2)cc1C(=O)N1CCCN(CC1)c1ccc(OC)cc1	PC-id_55919311	384.535	JCXZFIPSNHLLGX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104808
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)c1c(OCC)cccc1	PC-id_9068946	384.535	RPEQUKQKZIKXDC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104809
s1c2c(CCCCC2)cc1C(=O)NC(CN1CCOCC1)c1ccccc1	PC-id_18166759	384.535	HNVFTLSRDUIPEG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104810
s1c2CCCCCc2cc1C(=O)N(CC(=O)Nc1c(cc(cc1C)C)C)C	PC-id_9186305	384.535	VFCMGCKRQZGTMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104811
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1ccc(OC)cc1	PC-id_8122647	384.535	MURWCOXCASIPHE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104812
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1cc(OC)ccc1	PC-id_8126633	384.535	PVWSOVVIWLJKDW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104813
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1c(OC)cccc1	PC-id_27664977	384.535	FJCMBLSWAYQWOS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-104814
s1c2CCCCCCc2cc1C(=O)Nc1c(ccc(NC(=O)C(C)C)c1)C	PC-id_46476104	384.535	BXZYAFODGUSCOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104815
s1c2CCCCCCc2cc1C(=O)Nc1c(CN2CCOCC2)cccc1	PC-id_52702654	384.535	RSIXFZQYVOCSOM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104816
s1c2CCCCCCc2cc1C(=O)Nc1c(CN(CC)C(=O)C)cccc1	PC-id_55661391	384.535	HEVSKMWISSHENJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104817
s1c2c(CCCCCC2)cc1C(=O)N(CC1OCCC1)Cc1cccnc1	PC-id_75904553	384.535	XRYWZJXLTVUFRN-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-104818
s1c2c(CCCCCC2)cc1C(=O)N(C[C@H]1OCCC1)Cc1cccnc1	PC-id_52702371	384.535	XRYWZJXLTVUFRN-IBGZPJMESA-N	00000010100000101100000000000010000000000000000000000000	31-01-104819
s1c2c(CCCCCC2)cc1C(=O)N(C[C@@H]1OCCC1)Cc1cccnc1	PC-id_52702372	384.535	XRYWZJXLTVUFRN-LJQANCHMSA-N	00000010100000101100000000000010000000000000000000000000	31-01-104820
s1c2CCCCCCc2cc1C(=O)NCC(=O)Nc1c(cc(cc1C)C)C	PC-id_43009819	384.535	KAVHACRRPFZBFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104821
s1c2CCCCCCc2cc1C(=O)N(CC(=O)Nc1c(ccc(c1)C)C)C	PC-id_9318911	384.535	XOWZSWIEKRNNLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104822
s1c2CCCCCCc2cc1C(=O)N(CC(=O)Nc1c(cccc1C)C)C	PC-id_9426061	384.535	JVRFDBANXLCPAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104823
s1c2CCCCCCc2cc1C(=O)N(CC(=O)Nc1c(CC)cccc1)C	PC-id_9378543	384.535	IHYLGXAGXLRPPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104824
s1c2CCCCCCCCCCc2c(c1N=CC1C(=O)CCCC1=O)C#N	PC-id_24073073	384.535	YZNSUOPKTWTTKA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-104825
s1c2c(CCCCC2)c(c1NC(=O)CSC1=NCCS1)C(=O)OC	PC-id_9454287	384.537	WXHRGNLVMHKLKI-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-104826
s1c2CCCCCCc2cc1C(=O)NCc1sc(S(=O)(=O)N)cc1	PC-id_60399655	384.537	IOUJFNUXBPJMGT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104827
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1sc(cc1)C	PC-id_24449732	384.537	QCXUVKZDNDAYSE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-104828
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cccc(c1)SC	EMOLS-id_46046533,PC-id_72867454,MCULE-9083355707,ZINC22_91526128	384.538	LDYUDYDLSKODTM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-104829
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccccc1SC	PC-id_72873702,ZINC22_91574744,EMOLS-id_46051021,MCULE-7373849791	384.538	BTMWBNJZTJPSMY-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-104830
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cc1)SC	PC-id_72902299,MCULE-9887818539,ZINC22_91746014,EMOLS-id_46071919	384.538	PUGZKIGEEOMBEM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-104831
CC1=C([S]=C(N1)c1ccc(C)cc1)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_320518718	384.538	YJSAHUNKLMNFKA-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-104832
Cc1nc(C)nc(c1)N1CCC(CC1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_100559502	384.538	JYPFMZARBKMHDP-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-104833
CCc1ncnc(c1)N1CCC(CC1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_100325879	384.538	NEPVNWSTALUQHF-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-104834
O(c1cc(C[NH+]2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1)C(C)C	PC-id_52285855	384.538	DZULIVMYKDDFTR-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-104835
O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nc2c(s1)CCCCC2	CoCoCo_4790704,PC-id_33503331,ZINC22_26250639,MCULE-8018292990,CoCoCo_4790703,EMOLS-id_44086598	384.538	ZSPYVBOLFVIMFI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104836
O=C(CSc1nnc2n1CCCCC2)N1CCC(Cc2ccccc2)CC1	MCULE-2779213847,ZINC22_6098172,PC-id_4878262,CoCoCo_3082119,EMOLS-id_3327357	384.538	BNUTZBHSJFYJLB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104837
O=C(CSc1nnc2n1CCCCC2)N(c1ccccc1)C1CCCCC1	PC-id_9171450,ZINC22_8039839,CoCoCo_3081460,EMOLS-id_3705747,MCULE-1267867539	384.538	XEHKIFZQFAQUPK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104838
O=C(N1CCCc2c(C1)cnn2C)NCC1(CCCC1)Sc1ccccc1	EMOLS-id_318264973	384.538	ZUEYYADVEVXORD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104839
O=C(N1CCCN(CC1)Cc1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_112825132	384.538	LIPOQIZUUXFYPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104840
O=C(N1CCN(CC1)CCc1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_112825133	384.538	HSYOCRQGVHWVTH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104841
O=C(Nc1nc2c(s1)CCCCC2)NC1CCN(CC1)Cc1ccccc1	PC-id_112825195	384.538	AYAGZLWCAVXQBR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104842
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccccc1CN1CCCC1	PC-id_112825140	384.538	ZXJVFVMOBCOFBS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-104843
O=C(N(Cc1ccccc1N1CCCC1)C)Nc1nc2c(s1)CCCCC2	PC-id_112825141	384.538	YMVBTNBWJHHBSP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-104844
O=C(NC(c1n2CC[NH+](CCc2nn1)CCC(C)C)C)CCc1ccccc1	PC-id_74493991	384.538	BJQZWOUCANHSGO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-104845
O=C(NC(c1n2CC[NH+](CC(CC)CC)CCc2nn1)C)c1c(cccc1)C	PC-id_74803703	384.538	CQXWDCZZNNUBKQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-104846
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)CCC(C)C)C)CCc1ccccc1	PC-id_26277026	384.538	BJQZWOUCANHSGO-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-104847
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)CCC(C)C)C)CCc1ccccc1	PC-id_26277028	384.538	BJQZWOUCANHSGO-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-104848
O=C(N[C@@H](c1n2CC[NH+](CC(CC)CC)CCc2nn1)C)c1c(cccc1)C	PC-id_42440921	384.538	CQXWDCZZNNUBKQ-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-104849
O=C(N[C@H](c1n2CC[NH+](CC(CC)CC)CCc2nn1)C)c1c(cccc1)C	PC-id_42440927	384.538	CQXWDCZZNNUBKQ-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-104850
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1nc(nc(c1)C)C	PC-id_56198975	384.538	MAVWPORXZOAAJY-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-104851
CCNC(=NCCc1nnc2n1CCCCC2)NC(CCS(=O)(=O)C)C	PC-id_109831093	384.54	YUIIQQGQBTZXNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104852
CN=C(NC(CCS(=O)(=O)C)C)NCCCc1nnc2n1CCCCC2	PC-id_109828908	384.54	BIXLLFXJZSVMIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104853
Cc1nc(N(C)Cc2nnc3n2CCCCC3)c2c(CC(C)C)csc2n1	MCULE-3293553464,ZINC22_48286113,EMOLS-id_32028794,PC-id_47054091	384.542	CUKUGGVOJZOVKD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-104854
CN=C(NCC1(CC1)Sc1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111557156	384.542	ZCZUQOFPFBIJFC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-104855
O=c1sc2c(s1)SCCOCCOCCOCCOCCS2	CT-id_7052844,PC-id_139176113	384.555	YCAJJEABLKFVEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104856
CCN(S(=O)(=O)C)C1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_110801603	384.557	OHPHSYMDIDUGIB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-104857
CCS(=O)(=O)N1CCC(CC1)NC(=O)c1sc2c(c1)CCCCCC2	PC-id_25675294,EMOLS-id_110387929	384.557	KGOXRBGKOHMYMJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-104858
CCS(=O)(=O)N(C1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_110800398	384.557	PGMKHRUVZPHWGE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-104859
O=C(c1sc2c(c1)CCCCCC2)N1CCCC(C1)CNS(=O)(=O)C	EMOLS-id_110356612	384.557	AXHKPVHBRNGTJU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-104860
O=C(c1sc2c(c1)CCCCCC2)N1CCC(CC1)N(S(=O)(=O)C)C	EMOLS-id_110589111	384.557	OMIBDIHSKPOFHL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-104861
O=C(c1sc2c(c1)CCCCCC2)NCC1CCN(CC1)S(=O)(=O)C	EMOLS-id_97915353	384.557	KVZAITXMYFWFNI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-104862
O=C(N1CCCCC1CNS(=O)(=O)C)c1sc2c(c1)CCCCCC2	EMOLS-id_110491805,PC-id_55622211	384.557	GULWLKZEQSKJNG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-104863
O=C(N(C1CCN(CC1)S(=O)(=O)C)C)c1sc2c(c1)CCCCCC2	EMOLS-id_111316458	384.557	OJHCYCKEDIVAEK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-104864
s1c2c(CCCCCC2)c(c1NC(=S)NCCCOC)C(=O)OCC	PC-id_19652131	384.557	KLLMLBAWZYCQLY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-104865
S(=O)(=O)(N1CCC(NC(=O)c2sc3c(CCCCC3)c2)CC1)CCC	PC-id_52184807	384.557	NMJIATWSHHQOPH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-104866
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CC=C(C)CC/C=C(/C)C	PC-id_91940125,MCULE-8892684924	384.558	ZFPULVDGZDZQGY-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-104867
CC(=CCC/C(=C/CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1)/C)C	PC-id_72856187,EMOLS-id_46038489,ZINC22_91426621	384.558	ZFPULVDGZDZQGY-YBFXNURJSA-N	00001000100000000101000000000010000000000000000000000000	31-01-104868
O=C(c1cc2c(s1)CCCCC2)N1CCCS/C/1=NCc1ccccc1	ZINC22_3336728,CoCoCo_3250256	384.558	MRSNPIGUVWTGSJ-DQRAZIAOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104869
O=C(N1CCCS/C/1=N/Cc1ccccc1)c1cc2c(s1)CCCCC2	CoCoCo_3250257	384.558	MRSNPIGUVWTGSJ-QURGRASLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104870
O=C(N1CCCSC1=NCc1ccccc1)c1cc2c(s1)CCCCC2	EMOLS-id_26067575,MCULE-8997416510,PC-id_2452932	384.558	MRSNPIGUVWTGSJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104871
s1c2CCCCCc2cc1C(=O)Nc1c(cc(N2CC[NH+](CC2)C)cc1)C	PC-id_52894757	384.558	NGYUFEDUCHCLBY-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-104872
s1c2CCCCCc2c(c1NC(=O)Cc1ccc(SC(C)C)cc1)C#N	PC-id_16838753	384.558	MOJHZYKUYMOQDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104873
s1c2CCCCCc2c(c1NC(=O)CCCSc1ccc(cc1)C)C#N	PC-id_41086117	384.558	SGVRWTJTFXMPFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104874
s1c2CCCCCc2c(c1NC(=O)CCCSCc1ccccc1)C#N	PC-id_41580289	384.558	CJCWECQALVYKJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104875
s1c(C(=O)NC2CC[NH+](CC2)Cc2ncccc2)cc2CCCCCCc12	PC-id_52303936	384.558	OWIAJMIHVYALTJ-UHFFFAOYSA-O	00000000100010101100000000000010000000000000000000000000	31-01-104876
CC(C)c1ccc(c2nc(CSc3nnc4n3CCCCC4)cs2)cc1	EMOLS-id_11722737,ZINC22_6098472,PC-id_7877643,CoCoCo_3082298,GD-id_ZINC06098472,MCULE-7028214612	384.561	SCLIDYPHJSLWTE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104877
CC(C)c1nn(c2c1CCN(C2)CC(C)(C)c1nn(c2c1CNCCC2)C)C	SCHEMBL20033640,PC-id_134402300	384.561	RNHGNWAATOKHCK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-104878
CCCCCCOCC1(COCCCCCC)COc2c(OC1)csc2	SCHEMBL20999579,PC-id_71426830	384.573	LVHSNNHQCPDWLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104879
CCCOC(=O)c1c(OCC)c(c2-c1cccc(c2)Br)C(=O)OCC	PC-id_141346814	409.271	IHXZMULPDKWLFK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118971
c1(C(=O)NCCCN(C(C)C)Cc2ccccc2)csc2CCCCCc12	CoCoCo_2171609,MCULE-8596788482,EMOLS-id_16062883,PC-id_20881887,CoCoCo_2171610	384.578	BIQATGLYDPNZQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104880
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C=Cc1nc2c(s1)NCCCC2	PC-id_136044006	384.578	SMWVELFUWYCUCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104881
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)/C=C/c1nc2c(s1)NCCCC2	PC-id_136415921	384.578	SMWVELFUWYCUCR-ZHACJKMWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104882
S1C2=C(CCCCN2)NC1=C/C=C
/C=C(C(C)(C)C)C(=O)C(=C1)C(C)(C)C	PC-id_54314030	384.578	AKOHUBLCPPHCKQ-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-104883
C1COCCSCc2c(CSCCOCCO1)sc(=S)s2	PC-id_91457595	384.621	NURNQPSKOUMZJG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104884
Brc1cc(Cl)c(c(c1)C(=O)N1CCCc2c(C1)cnn2C)O	EMOLS-id_101672996	384.656	BEGZHQLQOOHARY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104885
Clc1cc(Br)c(c(c1)C(=O)N1CCCc2c(C1)cnn2C)O	EMOLS-id_101673053	384.656	ULOOGMSOUYBKNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104886
Brc1cc(C)c(c(c1)Cl)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102180939	384.659	PLIPPROTQFCLND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104887
O=C(c1cc(C)c(c(c1)Cl)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102176576	384.659	SBBHSAAPWKFWTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104888
O=C(c1cc(Cl)c(cc1Br)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102176528	384.659	WWZOKTYIYGRQCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104889
CCN(c1sc(c2c1SSSSS2)N(CC)CC)CC	PC-id_406615,NSC724855	384.691	USFSNINESMUBSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104890
ClC(Cl)(Cl)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_4072142	384.706	VEURSIYLVVWPTF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-104891
ClC(Cl)(Cl)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_4165077	384.706	VYZFEZGRVJRZCZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-104892
Brc1cc(NC(=O)c2sc3CCCCCc3c2)ccc1Cl	PC-id_80085276	384.718	OQGKYZUSQGDHCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104893
Brc1cc(NC(=O)c2sc3CCCCCc3c2)c(Cl)cc1	PC-id_63531172	384.718	KNUXJIQFUBRYAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104894
Brc1c(NC(=O)c2sc3CCCCCc3c2)ccc(Cl)c1	PC-id_81260736	384.718	SFCUMOANAHMRTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104895
Brc1c(NC(=O)c2sc3CCCCCc3c2)cc(Cl)cc1	PC-id_81261816	384.718	JGIMGEHADWNSIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104896
O=C(c1cc2c(s1)CCCCC2)Nc1cccc(c1Br)Cl	PC-id_103480012	384.718	WVGGWEQSCSPCAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104897
O=C(c1cc2c(s1)CCCCC2)Nc1ccc(c(c1)Cl)Br	PC-id_107620507	384.718	IBEXZNGEQDFIHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104898
Brc1ccc(c(c1)Cl)CC(c1cc2c(s1)CCCCC2)N	PC-id_105038030	384.761	BSEMOIHBMIHUBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104899
C1CN(Cc2cc(nn2C1)C(=O)Nc1ccccc1)C(=O)c1c(cco1)Cl	PC-id_137659835	384.816	YOAQRNJKTZXKAJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-104900
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc(F)c(F)c1	PC-id_60387852	384.828	QROBJESCYBQIKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104901
Fc1cccc(Cl)c1C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	MCULE-3479472710,EMOLS-id_337775245,ZINC22_2356166179	384.835	WNFVDCZRABTYIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104902
ClC1=CC(=CCC1)N=C1C=CCc2n(N1)c(nn2)CNc1ccc(cc1)F	PC-id_143479826	384.838	LGBJXUYTYUTWRY-UHFFFAOYSA-N	00000000100011110111000000000010000000000000000000000000	31-01-104903
Brc1c2c([nH]c1Br)C(=O)NCC(=C2)Br	PC-id_10715085,SCHEMBL7150074	384.85	NPYXLWSWRSMQPN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-104904
Clc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCC(=O)O)/C(=O)Nc2cc1	PC-id_60113721,SCHEMBL6696411	384.856	DSWHHYLBAQMAMM-WJDWOHSUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-104905
Clc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)O)C(=O)Nc2cc1	PC-id_72651813	384.856	DSWHHYLBAQMAMM-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-104906
c1(C(=O)Nc2cc(n(Cc3ccc(cc3)Cl)n2)C)c2CCCCCc2on1	BindingDB_PC-id_3241373,BindingDB-id_67762,CHEMBL1388788,PC-id_3241373,MCULE-2710879706,ChEMBL-DNDi_CHEMBL1388788,TIMTEC473630,ZINC22_4435425,EMOLS-id_6685003	384.859	UDZVQSGWNMDOTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104907
Clc1ccc(n1C)C(=O)N1CCCn2c(C1)cc(n2)OCc1ccccc1	SCHEMBL16309472,PC-id_117751879	384.859	SLOQBUFVFPSPAY-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-104908
CN(Cc1nnc2n1CCCCC2)C(=O)c1ccc(c2ccc(Cl)cc2)o1	ZINC22_24837777,MCULE-8592439021,EMOLS-id_18852867,GD-id_ZINC24837777,CoCoCo_4663509,PC-id_32154002	384.859	UOBYMOBTVPUHLQ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-104909
c1(C(=O)N2CCn3c(CC2)nc(Cc2ccccc2)n3)c(Cl)c(nn1C)C	ZINC22_2356163451,EMOLS-id_337800305,MCULE-5708160126	384.863	DLJKPRARGYAJPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104910
c1(C(=O)NCc2c3CCCCCc3[nH]n2)cn(nn1)Cc1ccccc1Cl	ZINC22_72164196,EMOLS-id_43160594,MCULE-1640001807,PC-id_56910334	384.863	IMPQYMYPKAKVSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104911
Cc1c(C(=O)NCc2nnc3n2CCCCC3)cnn1c1ccc(Cl)cc1	ZINC22_40043368,MCULE-8992749935,EMOLS-id_30244750,PC-id_45866989	384.863	BNAVJCWBJQGMAJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104912
CCc1c(cnn1c1ccccc1Cl)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316708060	384.863	COSUWNRHXDZJSQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104913
Clc1ccc(c2[nH]ncc2C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55535566	384.863	MABBCWLXYKEJBI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104914
Clc1ccc(cc1)c1cc(nn1C)C(=O)NCc1nnc2n1CCCCC2	PC-id_46974797,SYN-22854411,ZINC22_19717183,CoCoCo_502418	384.863	VRIVKMXWJSDICH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104915
Clc1ccc(cc1)C(c1ccn(n1)C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316474521	384.863	ZPADAGKSVGMVJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104916
Clc1c(n2ncc(C(=O)NCCc3n4CCCCCc4nn3)c2)cccc1	PC-id_49193611	384.863	ARJOSCZHKOWQRW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104917
Clc1ncn(c2c(OC)cc(Nc3nc4n(n3)CC=CCC4(C)C)cc2)c1	SCHEMBL12918258,PC-id_58110124	384.863	VFUQZEAGBSDTIQ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-104918
Clc1n(nc(c1C(=O)NCc1n2CCCCCc2nn1)C)c1ccccc1	PC-id_51266290	384.863	IBQZBIMZLHQQJB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104919
O=C(NCc1nnc2n1CCCCC2)c1cnn(Cc2ccccc2Cl)c1	MCULE-8979800268,ZINC22_40015813,EMOLS-id_30238827,PC-id_45860223	384.863	OOLSPHURWFWKCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104920
CS(=O)(=O)N(CCc1ccc(Cl)cc1)Cc1nnc2n1CCOCC2	MCULE-8969824911,ZINC22_1775961866,EMOLS-id_320277717	384.881	FWIXJZAJRGHVCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104921
N#Cc1cc(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1Cl	PC-id_25626564,CoCoCo_4423465,MCULE-5415392956,ZINC22_12947740,EMOLS-id_16741386	384.882	SOHVATHFGPTUPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104922
Clc1cccc(c1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3538117,MCULE-5002919676,EMOLS-id_16710035,PC-id_8500337	384.901	CAWPWAROCVLRJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104923
Clc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_24165743,CoCoCo_3538098,MCULE-6417520137,PC-id_25689094	384.901	XZZVDDJZAFQJKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104924
Clc1c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_8500363,CoCoCo_3538134,MCULE-7786202037,EMOLS-id_16664912	384.901	MEOQIIULFDFWOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104925
O=C(N1CCCc2c(C1)ccs2)c1ccc(c(c1)NS(=O)(=O)C)Cl	EMOLS-id_318065007	384.901	YJXYEMNPDCTBKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-104926
C1CCN(CC1)NC(=O)c1c2CCCCC(=Cc3ccc(cc3)Cl)c2n[nH]1	PC-id_87074933,SCHEMBL176623	384.902	AFPXKROAMLUHBC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-104927
Clc1ccccc1c1ccc(o1)CNCCCc1nnc2n1CCCCC2	MCULE-1094756517,EMOLS-id_51656320,PC-id_119110714	384.902	ZZONLIMIZFRRBS-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-104928
Clc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2C(=O)NN1CCCCC1	PC-id_58882623,SCHEMBL176622	384.902	AFPXKROAMLUHBC-JQIJEIRASA-N	00000000100010110101000000000010000000000000000000000000	31-01-104929
Cc1nn(c(c1CN1CCc2n(CC1)c(nn2)CCc1ccccc1)Cl)C	CoCoCo_1197062,PC-id_26276283,CoCoCo_1197063	384.906	ZWEYGXKFEMJING-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104930
Clc1ccc(cc1)n1nc(c(c1C)CNCc1nnc2n1CCCCC2)C	MCULE-1460955840,EMOLS-id_51231883,PC-id_121694729	384.906	PJLKIDWTBHRUQN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-104931
CC1=CCc2c(C=C1)c(c(s2)C(=O)Nc1ccc(cc1)N1CCCC1)Cl	PC-id_142931540	384.922	SZOHSMSMHOUAAZ-UHFFFAOYSA-N	00000010100000110110100000000010000000000000000000000000	31-01-104932
Clc1cc(c2nn(cc2C[NH+](Cc2n[nH]c3c2CCCCC3)C)C)ccc1	PC-id_31106381	384.926	GSRZOKALPWENOA-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-104933
Clc1cc(c(C2=CCN(CCCc3onc4c3CCCCC4)CC2)cc1)C	SCHEMBL8571047,PC-id_59939361	384.942	VUGZECBGVPIYHZ-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-104934
Clc1cc(c(C2=CCN(CCCc3n4CCCCCc4nn3)CC2)cc1)C	PC-id_59939441,SCHEMBL7958937	384.945	IIASPKDHJFEMTO-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-104935
Clc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1)cn(c2)C	PC-id_145816650	384.945	YOZPRBCLUDHZTA-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-104936
C1CC2=C(CCC=C1)SC=C2C(=O)NC3=CC(=CC(=C3)F)OC(F)(F)F	PC-id_165143212	385.076	CKSRIWYHGLSTHH-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-104937
C[C@H]1COC2=C(N(C(=C2S(=O)(=O)N1)C)C)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_165164759	385.091	ZTNREVJKTDGKLF-QMMMGPOBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104938
CC1=C(C=C(C=C1)CC(=O)C2=C3C(=CN2C)S(=O)(=O)NC(CO3)C=C)C#N	PC-id_161416098	385.11	KESBHPZFNGCTMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104939
Brc1ccc(s1)CNC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_318376257,PC-id_32822543	385.279	AKCDTYZASNINOG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-104961
CC1=C(C=C(C=C1)CC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)C=C)C#N	PC-id_161416097	385.11	KESBHPZFNGCTMF-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104940
CCCC1=NC(=CS1)CN(CC2=NN=C3N2CCOCC3)S(=O)(=O)C	EMOLS-id_317758660,MCULE-7889250447,PC-id_154786468	385.124	JHSRDCSKOOGYQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104941
C1CN(CCN2C1=NC(=N2)CC3=CC=CC=C3)C(=O)CCC4=CC(=NO4)Cl	MCULE-9584424769,PC-id_164695609	385.131	KWGFODRSMHULHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104942
CCCN(CCNC1=CC(=CC(=C)C2=C1C=NN2)Cl)S(=O)(=O)N(C)C	PC-id_163670651	385.134	JCFJZTUIKGVVJZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-104943
O=C(Nc1ccc(cc1F)Br)Cn1cnc2c1COOCN2C	SCHEMBL18175109,PC-id_122642936	385.188	RSUWZRVGQSTHTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104944
CCOC(=O)C1=NN2CCCN(CC2=C1)C(=O)OC(C)C3=CC(=CC(=C3)C)C	PC-id_162164348	385.2	ZMXSEDONJDKVGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104945
BrC1CC(F)(F)Cc2nn(cc2C1=O)Cc1ccc(OC)cc1	PC-id_66667356,SCHEMBL365849	385.203	QRTCVQPGGOBJKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104946
O=C(c1c(I)[nH]nc1C)N1CCCc2c(C1)cnn2C	EMOLS-id_316511175	385.204	VIUCAFGZEBBKDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104947
Brc1cc(F)c(c(c1)F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101953887	385.207	YOTKHCWNJLEAAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104948
Fc1cc(F)c(c(c1)Br)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101852497	385.207	LVPYMMDAJKFBLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104949
Fc1cc(NC(=O)N2CCCc3c(C2)cnn3C)c(c(c1)F)Br	EMOLS-id_101853757	385.207	DKNKHPHDNCWUMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104950
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(Br)c(cc1F)F	EMOLS-id_101853763	385.207	JFTFCULCHYVKDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104951
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(F)c(cc1F)Br	EMOLS-id_101963760	385.207	ZQWCYPRMZFQBOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104952
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(F)c(c(c1)F)Br	EMOLS-id_101963925	385.207	LELRAFHGRZJLPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104953
CC(C1=CC=CC=N1)NC(=O)N2C3=C(CCN(CC3)C(=O)OC(C)(C)C)C=N2	PC-id_152147129	385.211	VKLIMAMFRJMBPM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104954
COCCn1nc2CCN(CCn2c1=O)C(=O)c1ccc(Br)o1	EMOLS-id_50589971,MCULE-8051759670,PC-id_91922419	385.213	XHVRUZLOJKDGKS-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-104955
Clc1cc(/C=C/C(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)ccc1Cl	PC-id_10524124	385.24	XRVIVOMCAPYQMR-CSKARUKUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-104956
Clc1cc(C=CC(=O)c2c3-c(c(c2)C(=O)OC)ccccc3)ccc1Cl	PC-id_85171138	385.24	XRVIVOMCAPYQMR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-104957
CN(C)C1=NC=NC(=C1)N2C[C@@H](C[C@@H]2CNCC3=CN=C4N3CCCCC4)O	PC-id_154800622	385.259	JQYZYLPKTUEEOM-NVXWUHKLSA-N	00000010100000100101100000000010000000000000000000000000	31-01-104958
O=C(N1CCCc2c(C1)cnn2C)NC(c1cc(F)c(cc1Cl)Cl)C	EMOLS-id_101719686	385.263	CBJXSOZTSGCKIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104959
Ic1ccc(CSc2n3CCCCCc3nn2)cc1	PC-id_65489546	385.266	CUYRGWNOGQSVMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104960
Brc1ccc(s1)CN(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102183156	385.283	YVZYCRLXRSNFBT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-104962
Brc1csc(c1)CN(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102183357	385.283	KQHCUPFGXLGDHK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-104963
Brc1scc(c1)CN(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102158983	385.283	QBYOLAHMNZRJKP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-104964
Brc1n2c(CN(CCC2)C)c(n1)C(=O)CC(C(C)(C)C)C(=O)N	PC-id_76657152	385.299	QBGOKCOGLZWXRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104965
Brc1n2c(CN(CCC2)C)c(n1)C(=O)CC(CC(C)C)C(=O)N	PC-id_76657200	385.299	KRHBLJDDLQVDML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104966
Brc1n2c(CN(CCC2)C)c(n1)C(=O)C[C@@H](C(C)(C)C)C(=O)N	PC-id_58135562	385.299	QBGOKCOGLZWXRC-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104967
Brc1n2c(CN(CCC2)C)c(n1)C(=O)C[C@@H](CC(C)C)C(=O)N	PC-id_58135611	385.299	KRHBLJDDLQVDML-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104968
C1CCc2c(C(C1)C(=O)NC(CO)c1c(cc(cc1)Cl)Cl)scn2	PC-id_90303579	385.308	VGQSTOOFAOPYQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104969
c1(sc2c(CCCCC2)n1)NC(=O)C(C)Oc1ccc(cc1Cl)Cl	MCULE-2849948734,EMOLS-id_334603899	385.308	WCPXVLUOHHRMMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104970
Clc1c([C@H](NC(=O)[C@@H]2CCCCc3ncsc23)CO)ccc(Cl)c1	PC-id_78318710,SCHEMBL17332294	385.308	VGQSTOOFAOPYQH-IUODEOHRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104971
Clc1c([C@H](NC(=O)[C@H]2CCCCc3ncsc23)CO)ccc(Cl)c1	SCHEMBL15903775,PC-id_78318711	385.308	VGQSTOOFAOPYQH-SWLSCSKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104972
OC[C@@H](NC(=O)C1CCCCc2ncsc12)c1ccc(Cl)cc1Cl	BindingDB-id_412956,BindingDB_PC-id_90303579,SCHEMBL15903776	385.308	VGQSTOOFAOPYQH-WPZCJLIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104973
Clc1cc(NC(=O)[C@@H](Sc2n3CCCCCc3nn2)C)cc(Cl)c1	PC-id_7876648	385.311	ZPUQTMGQMUJZPN-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-104974
Clc1cc(NC(=O)[C@H](Sc2n3CCCCCc3nn2)C)cc(Cl)c1	PC-id_7876650	385.311	ZPUQTMGQMUJZPN-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104975
Clc1cc(NC(=O)C(Sc2n3CCCCCc3nn2)C)cc(Cl)c1	PC-id_78559212	385.311	ZPUQTMGQMUJZPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104976
Clc1c(CNC(=O)CSc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_7876754	385.311	YJAJCAHCEYMSBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104977
Clc1c(NC(=O)[C@@H](Sc2n3CCCCCc3nn2)C)ccc(Cl)c1	PC-id_7876645	385.311	FDOAYWBVZSEZKN-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-104978
Clc1c(NC(=O)[C@H](Sc2n3CCCCCc3nn2)C)ccc(Cl)c1	PC-id_7876647	385.311	FDOAYWBVZSEZKN-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104979
Clc1c(NC(=O)[C@@H](Sc2n3CCCCCc3nn2)C)cc(Cl)cc1	PC-id_7877047	385.311	AVHTVUIBGWQTBR-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-104980
Clc1c(NC(=O)[C@H](Sc2n3CCCCCc3nn2)C)cc(Cl)cc1	PC-id_7877049	385.311	AVHTVUIBGWQTBR-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104981
Clc1c(NC(=O)C(Sc2n3CCCCCc3nn2)C)ccc(Cl)c1	PC-id_78559211	385.311	FDOAYWBVZSEZKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104982
Clc1c(NC(=O)C(Sc2n3CCCCCc3nn2)C)cc(Cl)cc1	PC-id_78559245	385.311	AVHTVUIBGWQTBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104983
Clc1c(NC(=O)CSc2n3CCCCCc3nn2)c(Cl)ccc1C	PC-id_7877457	385.311	DIKFANXVNFMDED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104984
Clc1cc(c2csc(Cc3nnc4n3CCCCC4)n2)c(Cl)s1	EMOLS-id_11793771,CoCoCo_3890614,ZINC22_9637630,MCULE-3820464838,PC-id_16349141	385.334	NFZBCZUJCKMLKN-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-104985
COc1ccc(c(n1)C(F)(F)F)NC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_319162384	385.341	SYSDCSBRZVKDLW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-104986
FC(F)(F)Oc1ccc(CNC(=O)NC2CCc3n[nH]c(=O)n3CC2)cc1	MCULE-6237396889,EMOLS-id_50590490,PC-id_91910812	385.341	GNUCOTQFSFKZFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104987
O=C1C(CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CCC(F)(F)F	SCHEMBL18366487	385.344	DYVXHVDMXHIYQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104988
CC(C)(C)OC(=O)N1CCc2[nH]nc(OS(=O)(=O)C(F)(F)F)c2CC1	SCHEMBL2076671,EMOLS-id_260377999,PC-id_87332306,MCULE-4157144608	385.359	BLUCERJCCRQGIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104989
CC(C)(C)OC(=O)N1CCCc2c(OS(=O)(=O)C(F)(F)F)n[nH]c2C1	MCULE-5200711821,EMOLS-id_45956879	385.359	CXLRKVZDTMXHHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104990
O=C(N1CCc2c(CC1)cn(n2)OS(=O)(=O)C(F)(F)F)OC(C)(C)C	PC-id_141114062	385.359	CHUNPMDJKZFSIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104991
CC1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C	PC-id_142742580	385.361	BVIKNBBEJYUWFG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-104992
C[C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C	SCHEMBL18352926	385.361	BVIKNBBEJYUWFG-QMMMGPOBSA-N	00000000100000110111000000000010000000000000000000000000	31-01-104993
CCn1nc(c2c1CCCN=C2CCc1cc(F)c(c(c1)F)C(F)(F)F)C	SCHEMBL8225872,PC-id_59175212	385.374	XHZWCEOXYOUCFY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-104994
COc1cc(c(cc1)OC/C(=C(C#N)/c1nnc2n1CCCCC2)/O)[N+](=O)[O-]	PC-id_135702629	385.374	FAXGIVCZZLLIEK-SQFISAMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-104995
O(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1c([N+](=O)[O-])cc(OC)cc1	PC-id_84864498	385.374	RBOTWBZRLZNHPQ-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-104996
O(CC(=O)/C(=C
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FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1)COCC	PC-id_19523858	385.384	UNMXAAACEUNZOD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104998
FC(F)(F)/C(=C(c1n2CCCCCc2nn1)/C#N)/OCC(=O)NC(C)(C)C	CoCoCo_3163599,CoCoCo_3163596,PC-id_5961030	385.384	QOQLCSRQIIEXKS-SDNWHVSQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-104999
FC(F)(F)C(=C(c1n2CCCCCc2nn1)C#N)OCC(=O)NC(C)(C)C	PC-id_3930090,MCULE-3123343642,EMOLS-id_26056930	385.384	QOQLCSRQIIEXKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105000
N#C/C(=C(C(F)(F)F)/OCC(=O)NC(C)(C)C)/c1nnc2n1CCCCC2	CoCoCo_3163597,CoCoCo_3163598	385.384	QOQLCSRQIIEXKS-KAMYIIQDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105001
Brc1cc(C(=O)Nc2sc3CCCCCc3c2C#N)c(Cl)cc1	PC-id_5241145	409.728	WFCGEWOURWHLJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119394
CC1CCOc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353514	385.386	POLRAHBLWSQOBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105002
CC1NS(=O)(=O)c2c(OC1C)c(n(c2)C)C(=O)Nc1ccc(c(c1)F)F	SCHEMBL18352829	385.386	WMICKHGVYMOHBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105003
CC(C1COc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	PC-id_139471265,SCHEMBL21337264	385.386	SRKDVHIWJLZUSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105004
CCC1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	PC-id_140762588	385.386	DXQBAPKLTIECSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105005
CC[C@@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18352823	385.386	DXQBAPKLTIECSC-SECBINFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105006
CC[C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18357895	385.386	DXQBAPKLTIECSC-VIFPVBQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-105007
C[C@@H]1NS(=O)(=O)c2c(O[C@@H]1C)c(n(c2)C)C(=O)Nc1ccc(c(c1)F)F	SCHEMBL18352883	385.386	WMICKHGVYMOHBG-DTWKUNHWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105008
C[C@H]1NS(=O)(=O)c2c(O[C@H]1C)c(n(c2)C)C(=O)Nc1ccc(c(c1)F)F	SCHEMBL18352962	385.386	WMICKHGVYMOHBG-BDAKNGLRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105009
C[C@@H]1NS(=O)(=O)c2c(O[C@H]1C)c(n(c2)C)C(=O)Nc1ccc(c(c1)F)F	SCHEMBL18353423	385.386	WMICKHGVYMOHBG-IUCAKERBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105010
C[C@H]1NS(=O)(=O)c2c(O[C@@H]1C)c(n(c2)C)C(=O)Nc1ccc(c(c1)F)F	SCHEMBL18353552	385.386	WMICKHGVYMOHBG-RKDXNWHRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105011
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)(C)C)Nc1ccc(c(c1)F)F	SCHEMBL18353473	385.386	JBBWGNRAJHEMAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105012
O=S(=O)(Cc1cccc2c1OC(F)(F)O2)Cc1nnc2n1CCCCC2	EMOLS-id_316956973,ZINC22_629322900,MCULE-5740250480	385.386	VSXXACUXMVDPAG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-105013
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ncc(F)cc3F)cc2C1	MCULE-8927298989,ZINC22_91551587,EMOLS-id_46049521,PC-id_72871622	385.389	JXYCOOJJKXXLBE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105014
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1cc(c(cc1)F)C(=O)O	PC-id_90625678	385.391	CVAZRJZBZNLMBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105015
Cc1ccc(F)c(n2cc(O)c(C(=O)N3Cc4nccn4C[C@@H](CO)C3)n2)c1	ZINC22_2325803468	385.392	IOFUGRARVHBHBO-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105016
Cc1ccc(F)c(n2cc(O)c(C(=O)N3Cc4nccn4C[C@H](CO)C3)n2)c1	ZINC22_2325803469	385.392	IOFUGRARVHBHBO-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105017
C1Cn2cc(nc2OCCN1C(=O)c1csc(n1)c1ccccc1)[N+](=O)[O-]	PC-id_89580197,SCHEMBL14965819	385.397	PMENKZZJKWACAV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105018
Cc1nnnn1c1cc(NC(=O)NCc2nnc3n2CCCCC3)ccc1F	EMOLS-id_316815709,ZINC22_69717125,MCULE-7444625764,PC-id_136523253	385.399	JKDJZGFCWPZCNB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105019
OCC1CCc2c(SN1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C	SCHEMBL21337344,PC-id_139471346	385.404	KDEQRIANBQGNOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105020
s1c2CCCCCCc2nc1NC(=O)Cn1cc(ccc1=O)C(F)(F)F	PC-id_56022744	385.404	HBVSTDJVAHTWOA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105021
O1C(C(OCCCOc2c(OCCC1)c([nH]c2C(=O)O)C(=O)O)(C)C)(C)C	SCHEMBL6860418,PC-id_11111801	385.409	FAIDJENUBDTGDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105022
CCOC(=O)C1=C(CN2CCCc3occc3C2)NC(=O)N[C@@H]1c1ccco1	ZINC22_367407521	385.414	GOJAAJLDABVAGW-GOSISDBHSA-N	00000000101011000101100000000010000000000000000000000000	31-01-105023
CCOC(=O)C1=C(CN2CCCc3occc3C2)NC(=O)N[C@H]1c1ccco1	ZINC22_367407522	385.414	GOJAAJLDABVAGW-SFHVURJKSA-N	00000000101011000101100000000010000000000000000000000000	31-01-105024
CCOC(=O)C1=C(NC(=O)NC1c1ccco1)CN1CCCc2c(C1)cco2	EMOLS-id_316194062,MCULE-7675348563	385.414	GOJAAJLDABVAGW-UHFFFAOYSA-N	00000000101011000101100000000010000000000000000000000000	31-01-105025
COc1cc(C#Cc2nc3c(n2C)COOCN3CCC2CO2)ccc1OC	PC-id_117669592,SCHEMBL16199471	385.414	ZLWFAMHUVFWFIZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105026
Cn1c(cc(n1)c1ccc(cc1)F)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625466	385.415	QBLIGCVXEPFXIA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105027
O=C(CN1CCCc2sccc2C1=O)Nc1ccc(n2cncn2)c(F)c1	ZINC22_89769809,EMOLS-id_45648202,MCULE-8638446054,PC-id_71932277	385.415	SEISSZSGZSZMBW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105028
C1CC1CNC(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965796,PC-id_89580178	385.417	IICFQWGESGNUSA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105029
C1CC(C1)NC(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580463,SCHEMBL14966181	385.417	XVZSSANAGFIESZ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-105030
C1CCN(C1)C(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580327,SCHEMBL14966002	385.417	JVPUBKCHEZFQCB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105031
c1(cn2c(CCN(CC2)C(=O)C2CCOC2)n1)C(=O)N1CCc2c(con2)C1	MCULE-2105057384,EMOLS-id_331094038	385.417	ICQAIXDYPZLNRV-UHFFFAOYSA-N	00000010100010000101000000010010000000000000000000000000	31-01-105032
c1(C(=O)NCCCC(=O)OC)cn2c(CCN(CC2)C(=O)c2ccccn2)n1	EMOLS-id_331100970,ZINC22_1875246564,MCULE-3809137883	385.417	RJDALZITOPCMIW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105033
CC1ON=C(C1c1cccc(c1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-])C	SCHEMBL14965748,PC-id_71569833	385.417	RXDMLWQTWISPDZ-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-105034
O=C(c1cn2c(n1)CCN(C(=O)[C@@H]1CCOC1)CC2)N1CCc2nocc2C1	ZINC22_1875243468	385.417	ICQAIXDYPZLNRV-CYBMUJFWSA-N	00000010100010000101000000010010000000000000000000000000	31-01-105035
O=C(c1cn2c(n1)CCN(C(=O)[C@H]1CCOC1)CC2)N1CCc2nocc2C1	ZINC22_1875243469	385.417	ICQAIXDYPZLNRV-ZDUSSCGKSA-N	00000010100010000101000000010010000000000000000000000000	31-01-105036
N#CC(=Cc1ccc(cc1)OC(=O)c1cccnc1)c1nnc2n1CCCCC2	EMOLS-id_26092813,PC-id_3251415,MCULE-3971739202	385.419	UQZLBANZOLOZBO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-105037
N#C/C(=C/c1ccc(cc1)OC(=O)c1cccnc1)/c1nnc2n1CCCCC2	PC-id_75460342,CoCoCo_3456298	385.419	UQZLBANZOLOZBO-AQTBWJFISA-N	00000000100000111101000000000010000000000000000000000000	31-01-105038
N#C/C(=Cc1ccc(OC(=O)c2cccnc2)cc1)/c1nnc2n1CCCCC2	CHEMBL4566464,PC-id_5772982,CoCoCo_3456297	385.419	UQZLBANZOLOZBO-QGOAFFKASA-N	00000000100000111101000000000010000000000000000000000000	31-01-105039
Oc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183348	385.42	GHEFZDLXZHCCOO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105040
O=C(N1CCN(CC1)C(=O)c1ccccc1O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183369	385.42	SUMDQKPYMZJSTH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105041
CC(C)OCc1ncn2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CCC2	PC-id_97520026,ZINC22_96259946,EMOLS-id_44371428	385.429	ZNPJITSPEXYYPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105042
CC(OCc1ncn2c1CN(CCC2)S(=O)(=O)c1ccc(c(c1)F)F)C	PC-id_97520025	385.429	XYJGDKJMVXMNHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105043
CCOC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)C)F	SCHEMBL19702797	385.432	DKRDXWWBSOORFO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-105044
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)F)C	SCHEMBL19702839	385.432	LKFDCEOHDKFGKH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-105045
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1cccc(c1)F)C	SCHEMBL19702840	385.432	TYKJMYUVSRPRLH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-105046
Fc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111824305	385.432	SBAZHNMUWFVBDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105047
Fc1ccc(cc1)C(=O)N1CCCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111824314	385.432	XYEPJOQTJKGWDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105048
Fc1ccc(cc1)C(=O)NC1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100923015	385.432	KCZDNPROXHJBIM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105049
O=C(c1ccc(c(c1)F)C)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111417541	385.432	ZQWBJTCCTASPCA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105050
O=C(c1noc2c1CCCCC2)N1CCCN(CC1)C(=O)c1ccccc1F	EMOLS-id_100105581	385.432	RTABCNLBYNARPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105051
s1c2CCCCCc2c(c1NC(=O)CC(c1ccc(F)cc1)C(=O)[O-])C#N	PC-id_74454095	385.432	JWWWBCHYHFUUMS-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-105052
s1c2CCCCCc2c(c1NC(=O)C[C@@H](c1ccc(F)cc1)C(=O)[O-])C#N	PC-id_25466033	385.432	JWWWBCHYHFUUMS-HNNXBMFYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-105053
s1c2CCCCCc2c(c1NC(=O)C[C@H](c1ccc(F)cc1)C(=O)[O-])C#N	PC-id_25466036	385.432	JWWWBCHYHFUUMS-OAHLLOKOSA-M	00000000100000110100000000000010000000000000000000000000	31-01-105054
CCOc1c(cc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2)F	PC-id_90625658	385.434	LUESRLCBOKSXHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105055
c1(C(=O)N2CCCC2)cc2n(CCCN(C(=O)NCc3cccc(F)c3)C2)n1	MCULE-2615261046,EMOLS-id_32403208,SCHEMBL16100513,PC-id_50966657,ZINC22_65409312	385.435	NLQZPZSKQGHMNZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105056
c1(C(=O)N2CCN(C(=O)C2)Cc2ccc(cc2)F)cc2n(CCCN(C)C2)n1	PC-id_50953917,ZINC22_65381607,EMOLS-id_32379148,MCULE-8020300591	385.435	ACMGBYMGQBDULS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105057
CC(C)/C=C/C(=O)N1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1	EMOLS-id_44852901,CoCoCo_1374965,PC-id_26344373,ZINC22_14989731	385.435	XCOUGUKWRSKPOR-VOTSOKGWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105058
CC(/C=CC(=O)N1CCn2c(CC1)nnc2CNC(=O)c1cccc(c1)F)C	CoCoCo_1374966	385.435	XCOUGUKWRSKPOR-SREVYHEPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105059
Fc1cccc(c1)C1N(CCNC1=O)C(=O)CCc1cc2CNCCCn2n1	EMOLS-id_43077213,MCULE-5053054461,PC-id_70717107	385.435	FLQSUHGCXBXCES-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105060
Fc1cccc(CNC(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)c1	EMOLS-id_44370306,PC-id_97519463,ZINC22_96259379	385.435	OZFIFAGWDBTXQT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105061
n12CCN(CCc1nnc2CNC(=O)c1cccc(F)c1)C(=O)C=CC(C)C	PC-id_74498747,MCULE-5384450904	385.435	XCOUGUKWRSKPOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105062
O=C1NCCN(C(=O)CCc2cc3n(n2)CCCNC3)[C@H]1c1cccc(F)c1	PC-id_95861005,ZINC22_72407568	385.435	FLQSUHGCXBXCES-IBGZPJMESA-N	00000000100010110101100000000010000000000000000000000000	31-01-105063
O=C1NCCN(C(=O)CCc2cc3n(n2)CCCNC3)[C@@H]1c1cccc(F)c1	ZINC22_72407567,PC-id_95861004	385.435	FLQSUHGCXBXCES-LJQANCHMSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105064
O=C(N1CCCc2c(C1)cnn2C)NC1CCCN(C1=O)c1ccccc1F	EMOLS-id_101729001	385.435	UZXOFVPZJXWOCO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105065
OC(=O)CN1CCN(CC(=O)O)Cc2ccc(CN(CC1)CC(=O)O)s2	PC-id_20080262,SCHEMBL9205923	385.435	WLICNRSQCGZZRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105066
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C(=O)N	MCULE-1949960915,PC-id_1220290	385.437	XECQYQAJSTVAFO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105067
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)N	PC-id_1001494,MCULE-8658761555	385.437	YFNBDEQTCMHLBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105068
NC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc2CCCCCc12	EMOLS-id_25951090,SPECS-id_AK-968/41926803,PC-id_1001496,ZINC22_657180,CoCoCo_903058,TIMTEC568178	385.437	YFNBDEQTCMHLBP-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105069
NC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2CCCCCc12	SPECS-id_AK-968/11987146,CoCoCo_683690,EMOLS-id_25875173,ZINC22_995288,TIMTEC543482,PC-id_1220291	385.437	XECQYQAJSTVAFO-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105070
O=C(Nc1sc2c(c1C(=O)N)CCCCC2)/C=Cc1ccc(cc1)[N+](=O)[O-]	CoCoCo_683691	385.437	XECQYQAJSTVAFO-FLIBITNWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105071
O=C(Nc1sc2c(c1C(=O)N)CCCCC2)/C=Cc1cccc(c1)[N+](=O)[O-]	CoCoCo_903059	385.437	YFNBDEQTCMHLBP-KTKRTIGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105072
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1cc([N+](=O)[O-])ccc1	PC-id_84974447	385.437	AIRYOIXOPIGLDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105073
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1cc([N+](=O)[O-])ccc1	PC-id_9301249	385.437	AIRYOIXOPIGLDW-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105074
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1c([N+](=O)[O-])cccc1	PC-id_84974441	385.437	LZMHHWUJWWHBGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105075
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1c([N+](=O)[O-])cccc1	PC-id_9301229	385.437	LZMHHWUJWWHBGE-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105076
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1c2c(oc1=O)cccc2	PC-id_34035558	385.437	YOFNNOQDFMXOJW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105077
s1c2c(CCCCC2)c(c1NC(=O)Cn1c2c(oc1=O)cccc2)C(=O)N	PC-id_60388360	385.437	ITEVLQCCIYKPTQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105078
s1c2CCCCCc2c(c1NC(=O)COc1c(ccc([N+](=O)[O-])c1)C)C#N	PC-id_52635502	385.437	QXSRPTNMCAAPKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105079
s1c2CCCCCc2c(c1NC(=O)COc1cc(c([N+](=O)[O-])cc1)C)C#N	PC-id_29617098	385.437	VGOWFLKLUVJVDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105080
s1c2CCCCCc2c(c1NC(=O)COc1c(c([N+](=O)[O-])ccc1)C)C#N	PC-id_60518232	385.437	ZQVHWIIIACKLST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105081
s1c2CCCCCc2c(c1NC(=O)C(Oc1c([N+](=O)[O-])cccc1)C)C#N	PC-id_24494969	385.437	YZMVICUBCLEGGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105082
s1c2CCCCCc2c(c1NC(=O)COc1c([N+](=O)[O-])ccc(c1)C)C#N	PC-id_29638187	385.437	DZMJUBOSQMBCLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105083
s1c2CCCCCc2c(c1NC(=O)COc1c([N+](=O)[O-])cc(cc1)C)C#N	PC-id_46814575	385.437	GQGXFXBWMKCXFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105084
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn2c(nccc2)n1	PC-id_993235,SPECS-id_AP-906/42285390,MCULE-8218672145,EMOLS-id_1441533,ZINC22_646531,TIMTEC34856,CoCoCo_309336,BAS-03790537	385.44	AFKMXTRXRSXVDO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105085
s1c2c(CCCCC2)c(c1NC(=O)c1nn2c(n1)nccc2C)C(=O)OC	PC-id_52638616	385.44	DHUBZNQBGJWEKA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105086
s1c2CCCCCCc2cc1C(=O)N(Cc1n(CC(F)(F)F)ccn1)C	PC-id_56453204	385.447	RASRBLLZMIDVLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105087
CCCCc1c(NC(=O)C)c(c2-c1ccc(cc2)CC(=O)OC)C(=O)OCC	PC-id_141580600	385.453	AGOARKOGBPEKRG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-105088
CCOC(=O)c1c2-c(c(c1NC(=O)C)CC(C)C)ccc(cc2)CC(=O)OC	PC-id_141580537	385.453	BZPBASJYWYYZPW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-105089
O1C(C(C(O)C=CC)(C)C)CC#CC=CC=CC(OC)Cc2occ(n2)C1=O	PC-id_85342252	385.453	SQMZKFMGXJQOBZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-105090
O1[C@H](C([C@H](O)/C=C/C)(C)C)CC#CC=CC=C[C@@H](OC)Cc2occ(n2)C1=O	PC-id_10949037	385.453	SQMZKFMGXJQOBZ-PWVTWNSTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-105091
Cc1nc([C@H](NC(=O)c2cc3c(s2)CCCCC3)c2ccccc2F)no1	PC-id_99808236,ZINC22_170626970	385.455	MHKXGZDUNAOMNV-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105092
Cc1nc([C@@H](NC(=O)c2cc3c(s2)CCCCC3)c2ccccc2F)no1	PC-id_99808237,ZINC22_170626971	385.455	MHKXGZDUNAOMNV-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105093
Cc1onc(n1)C(c1ccccc1F)NC(=O)c1cc2c(s1)CCCCC2	PC-id_102557274,MCULE-2024921585,EMOLS-id_50321850	385.455	MHKXGZDUNAOMNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105094
C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc(c2ccc(F)cc2)no1	PC-id_52536140,ZINC22_58417586	385.455	GZZFINFONOLYNI-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105095
C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc(c2ccc(F)cc2)no1	PC-id_52536141,ZINC22_58417588	385.455	GZZFINFONOLYNI-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105096
COc1ccc(cc1S(=O)(=O)N1CCCc2c(C1)cco2)S(=O)(=O)C	EMOLS-id_99300586	385.455	PXJZNHSEDMRLCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105097
Fc1ccc(cc1)c1noc(n1)C(NC(=O)c1cc2c(s1)CCCCC2)C	MCULE-6162333744,PC-id_51129196,EMOLS-id_48991582	385.455	GZZFINFONOLYNI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105098
CCCOc1nc2c(n1Cc1ccccc1)C(=O)N(C(=O)C(C2)C)CCCO	SCHEMBL20432208,PC-id_135269046	385.457	NMNIJPCWZKGNLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105099
[C-]#[N+]c1[nH]c2c(c1)C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCOCC1	PC-id_140867652	385.457	HKFHETVFTYLFIM-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-105100
COc1cc(CC(=O)NCc2n[nH]c3c2CCCCC3)c(C(=O)C)cc1OC	ZINC22_219326790,EMOLS-id_55631100,MCULE-3818367597,PC-id_91770005	385.457	IKQPZXCVCWTPGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105101
COc1cc(OC)cc(c1)N1CCC(C1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100092453	385.457	JFVLWWRNTNRWNZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-105102
N#Cc1[nH]c2c(c1)C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCOCC1	PC-id_42611181,SCHEMBL4228959	385.457	IMARNXHSKOQVDX-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-105103
s1c2CCCCCc2cc1C(=O)NN=C(c1ccc(OCC(=O)[O-])cc1)C	PC-id_78620776	385.457	XIESGAFUDRHRCX-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-105104
s1c2CCCCCc2cc1C(=O)N/N=C(c1ccc(OCC(=O)[O-])cc1)/C	PC-id_8159461	385.457	XIESGAFUDRHRCX-BKUYFWCQSA-M	00000000100000110100000000000010000000000000000000000000	31-01-105105
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1ccccc1	PC-id_7279263	385.457	ITRHUIJAZOOGTM-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-105106
Cc1nc(C(=O)Nc2nc3c(s2)CCCCCC3)nn1c1ccc(F)cc1	EMOLS-id_35734381,PC-id_53508649,ZINC22_65489793,MCULE-7322449883	385.458	TVRYJPCZGCWLFL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105107
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)Cc1cscc1	CoCoCo_1330378,PC-id_42358011,CoCoCo_1330377	385.458	UGPBAUFBWJHAMY-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-105108
s1c2CCCCCCc2cc1C(=O)Nc1cc(n2nnnc2C)ccc1F	PC-id_56451407	385.458	SXPCNSVZWRTNFO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105109
s1c2CCCCCCc2nc1NC(=O)c1nnn(c1C)c1ccc(F)cc1	PC-id_56020834	385.458	WUAWXUZVUJUYOL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105110
s1c(C(=O)NCc2n3CCCCCc3nn2)c(nc1c1ccc(F)cc1)C	PC-id_51266360	385.458	OKVCNNMNUWSYCF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105111
c12CN(CCCn1nc(CN1CCC(CC1)Oc1cccnc1)c2)CC(=O)O	EMOLS-id_43171452,ZINC22_72168352,MCULE-1996014803,PC-id_56914062	385.46	WSLWRQMNPMGQEK-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-105112
c12CN(CCCn1nc(CNC(=O)c1c(C)cccc1OC)c2)C(=O)N(C)C	ZINC22_82092703,EMOLS-id_44426653,MCULE-1738249195,PC-id_70713673	385.46	SIIJKQPNQFQFSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105113
c12CN(CCCn1nc(CNC(=O)c1cc(on1)C(C)C)c2)C(=O)C1CCC1	ZINC22_91781741,PC-id_72907233,EMOLS-id_46075471,MCULE-1217554432	385.46	TVYIHLYVVCQHOR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-105114
c12CN(CCCn1nc(CNC(=O)C(C)Oc1ccccc1)c2)C(=O)N(C)C	MCULE-6199419278,PC-id_72938082,EMOLS-id_46098021	385.46	SLZALTNMRAQXSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105115
c12CN(CCCn1nc(CNC(=O)COCc1ccccc1)c2)C(=O)N(C)C	PC-id_72840556,MCULE-5480996339,EMOLS-id_46027131,ZINC22_91596044	385.46	QURVWDGUSGRFSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105116
c1(CN(C)C(=O)Nc2ccc(c(NC(=O)C)c2)OC)c2CCCCCc2[nH]n1	PC-id_72873509,MCULE-3355863308,ZINC22_96140941,EMOLS-id_49154773	385.46	MVRRQNDKZZFQDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105117
c1(coc2CCCC(=O)c12)C(=O)NC(CC(C)C)c1nnc2CCNCCn12	MCULE-3941221332,EMOLS-id_36464207,PC-id_56721818	385.46	SPBMTBPSQCGSHC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105118
c1(C(=O)NCCN(C)C)cc2n(CCCN(C2)C(=O)c2cccc(O)c2C)n1	ZINC22_65529605,MCULE-9423631167,PC-id_50984025,EMOLS-id_32435876	385.46	LMKKXZGVFDGKCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105119
CCc1cccc(c1NC(=O)Cn1cnc2c1C(O)N(C)C(=O)N(CC2)C)C	SCHEMBL19036655	385.46	UWPKRIDFKNAAPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105120
C/C(=Cc1ccco1)/CN1CCc2n(CC1)c(nn2)CNC(=O)C1COCC1	ChEMBL-DNDi_CHEMBL13905752	385.46	WHSRTRDIGNVWQW-RVDMUPIBSA-N	00000010101000000101000000000010000000000000000000000000	31-01-105121
CC(C)C[C@@H](NC(=O)c1coc2c1C(=O)CCC2)c1nnc2n1CCNCC2	PC-id_95228868,ZINC22_67965391	385.46	SPBMTBPSQCGSHC-CQSZACIVSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105122
CC(C)C[C@H](NC(=O)c1coc2c1C(=O)CCC2)c1nnc2n1CCNCC2	ZINC22_67965390,PC-id_95228867	385.46	SPBMTBPSQCGSHC-AWEZNQCLSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105123
CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1	CoCoCo_4336681,PC-id_26112614,EMOLS-id_25015535,ZINC22_14485233,MCULE-4567853567	385.46	YCKYZKCLXJOXCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105124
CC(CNC(=O)c1ccc(cc1)NC(=O)Cn1nc2n(c1=O)CCCCC2)C	PC-id_87026535	385.46	QCUXUYJMGIDAIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105125
C[C@H](Oc1ccccc1)C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2	PC-id_97155247,ZINC22_92066669	385.46	SLZALTNMRAQXSB-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105126
C[C@@H](Oc1ccccc1)C(=O)NCc1cc2n(n1)CCCN(C(=O)N(C)C)C2	PC-id_97155248,ZINC22_92066672	385.46	SLZALTNMRAQXSB-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105127
CCOc1ccccc1NC(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-1719787361,EMOLS-id_239612209	385.46	QYELZSWCOANYRS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105128
CC(=O)NCc1nnc2n1CCN(CC2)CC(Cc1ccc2c(c1)OCO2)C	ChEMBL-DNDi_CHEMBL31255348	385.46	BANXPOBJVILJHI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-105129
COc1ccc(cn1)C1CCN(CC1)C(=O)Cn1nc2n(c1=O)CCCCC2	MCULE-9139713395,EMOLS-id_320304907	385.46	QCFMQOFQVDOMRX-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-105130
COc1ccc(CNC(=O)NC2CCc3nn(CC4CC4)c(=O)n3CC2)cc1	PC-id_91910859,EMOLS-id_50590516,MCULE-1277220350	385.46	DOHPXGWDJYRTKG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105131
COc1cc(O)ccc1CN1CCc2n(CC1)c(nn2)C(NC(=O)C1CC1)C	ChEMBL-DNDi_CHEMBL35164751	385.46	RKFRFCYFYSOITI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105132
n12CCCNCc1cc(CCC(=O)NC1CCN(CC1)C(=O)c1ccco1)n2	PC-id_70777250,EMOLS-id_43169126,MCULE-4486384254,ZINC22_72476998	385.46	OJWCZPSXUIZVQR-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-105133
n12CCN(CCc1nnc2CCNC(=O)C1CCCO1)Cc1ccc(cc1)O	MCULE-3407024675,EMOLS-id_20405134,PC-id_45171593	385.46	ZFJSCXQINBMUON-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105134
n12CCN(CCc1nnc2CCNC(=O)C1CCCO1)CC=Cc1ccco1	PC-id_75101129,MCULE-7676822650	385.46	VMRIDTWOQKMSPH-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-105135
O1c2cc(CN3CCn4c(nnc4CCNC(=O)C(C)C)CC3)ccc2OC1	PC-id_42211745,ChEMBL-DNDi_CHEMBL10276295	385.46	SAZNKVIJHNWKCA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-105136
O=c1n(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2n1CCCCC2	CoCoCo_4479062,CoCoCo_4479063,MCULE-5792664434,EMOLS-id_17201432,ZINC22_22835419,PC-id_30661614	385.46	RKDNTQWJJRCRLD-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-105137
O(C(C)(C)C)C(=O)Nc1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_46524821	385.46	AMORPDZQXKHDDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105138
O=C([C@H]1CCCO1)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccco1	CoCoCo_1461806,CoCoCo_1461802	385.46	VMRIDTWOQKMSPH-DIIYHRTISA-N	00000010101000000101000000000010000000000000000000000000	31-01-105139
O=C([C@@H]1CCCO1)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccco1	CoCoCo_1461808,CoCoCo_1461804	385.46	VMRIDTWOQKMSPH-DVZSUYKVSA-N	00000010101000000101000000000010000000000000000000000000	31-01-105140
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(cc1)CN1CCOCC1	PC-id_86928982	385.46	WFJFIXMVEPWBCN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105141
O=C(Cn1nc2n(c1=O)CCCCC2)NCc1ccccc1N1CCOCC1	PC-id_86859335	385.46	VXUKJWNHRWJOHD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105142
O=C(Cn1nc2n(c1=O)CCCCC2)NCc1ccnc(c1)OC1CCCC1	PC-id_86981469	385.46	GUDZATCWGMVATB-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-105143
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(O)cc(OC)cc1	PC-id_46691787	385.46	BCPJSSDIHIUWTR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105144
O=C(N(C1CC1)Cc1cc(OC)c(O)cc1)NCc1n2CCCCCc2nn1	PC-id_60229372	385.46	KQAHLRXNNGUZPH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105145
O=C(NCCc1nnc2CCN(C/C=C/c3ccco3)CCn12)C1CCCO1	PC-id_45223468,EMOLS-id_44853603	385.46	VMRIDTWOQKMSPH-DAFODLJHSA-N	00000010101000000101000000000010000000000000000000000000	31-01-105146
O=C(NCCc1nnc2n1CCN(Cc1ccc(O)cc1)CC2)[C@@H]1CCCO1	CoCoCo_1138605,CoCoCo_1138603,ZINC22_23130476	385.46	ZFJSCXQINBMUON-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105147
O=C(NCCc1nnc2n1CCN(Cc1ccc(O)cc1)CC2)[C@H]1CCCO1	ZINC22_23130479,CoCoCo_1138602,CoCoCo_1138604	385.46	ZFJSCXQINBMUON-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105148
O=C(NCCc1nnc2n1CCN(C/C=C/c1ccco1)CC2)[C@H]1CCCO1	CoCoCo_1461807,CoCoCo_1461803,ZINC22_14969826	385.46	VMRIDTWOQKMSPH-NZURWCHMSA-N	00000010101000000101000000000010000000000000000000000000	31-01-105149
O=C(NCCc1nnc2n1CCN(C/C=C/c1ccco1)CC2)[C@@H]1CCCO1	ZINC22_14969821,CoCoCo_1461809,CoCoCo_1461805	385.46	VMRIDTWOQKMSPH-XMUUHYKESA-N	00000010101000000101000000000010000000000000000000000000	31-01-105150
c1(c2ccccc2n(C)c1)C(=O)N1CCn2c(CC1)nc(Cc1ccccc1)n2	MCULE-1851898230,ZINC22_2356166667	385.462	IGQFCZJHJLXQOZ-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-105151
c1(c2ccccc2[nH]c1)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	ZINC22_67805437,MCULE-4764633553,EMOLS-id_36452581,PC-id_56716140	385.462	LUXBMSPTPIANIN-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-105152
c1(cc2c(cccc2)[nH]1)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	EMOLS-id_36467219,MCULE-2135011656,PC-id_56723292,ZINC22_71278555	385.462	MQUOZIDBGIXLGX-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-105153
C1CN(CCn2c1ncc2C(=O)Nc1ccccc1)Cc1cc2c(cc1)[nH]cc2	PC-id_134806869	385.462	NBEOVICZXRODDO-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-105154
C1CN(CCn2c1ncc2C(=O)Nc1ccccc1)Cc1c[nH]c2ccccc12	PC-id_134805859	385.462	DAWLKLVADUPPEB-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-105155
C1CN(CCn2c1ncc2C(=O)NCc1ccccc1)Cc1cccc(c1)C#N	PC-id_134806201	385.462	ACRGXFUHJZSTEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105156
O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(=O)[C@@H]1CCOC1)CC2	ZINC22_1614935201	385.48	WUYSNTMDOFIZJI-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105235
c1(C(=O)NC(c2ccccc2)c2[nH]c3c(cccc3)n2)c2CCCCCc2[nH]n1	EMOLS-id_323252658,MCULE-2393907062	385.462	SQKHGWVRBGZJHT-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-105157
CCc1c(/C=CC(c2n[nH]nn2)C)n(c2c1C=CC=CC2)C(=O)c1ccccc1	PC-id_143165551	385.462	URDOXANYFNPFFI-PFONDFGASA-N	00000000100000110111000000000010000000000000000000000000	31-01-105158
N#Cc1cccc(c1)c1ccc(cc1)C(NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319385566	385.462	DYJWDCKMLCFMHV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105159
N#CCc1ccccc1C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_320151630,MCULE-5625659334	385.462	LMQGEGXIERMSSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105160
c12C(CCCCn1nnn2)C(=O)NCc1ccnc(CNC(=O)CC(C)C)c1	MCULE-9158884011,EMOLS-id_337662395	385.463	SLEPQSOBUYJTSA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105161
c12CN(CCCn1nc(CN1CCC(CC1)Nc1ncccn1)c2)C(=O)OC	MCULE-7823138654,PC-id_56902141,EMOLS-id_43136256,ZINC22_72438938	385.463	UJTXIQBYBFYJBO-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-105162
c12CN(CCCn1nc(CNC(=O)CCc1nncn1C)c2)C(=O)C1CCC1	EMOLS-id_44433177,ZINC22_82107331,PC-id_70732273,MCULE-9802946409	385.463	FHEWVPLDFOURSD-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-105163
c12CN(CCCn1nc(CNC(=O)CCCn1cncn1)c2)C(=O)C1CCC1	ZINC22_91746275,PC-id_72902628,EMOLS-id_46072135,MCULE-7304005738	385.463	MRCDWYRKXIYZFL-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-105164
c1(C(=O)NCc2cc3n(CCN(C(=O)C(C)C)C3)n2)nnc2CCCCCn12	MCULE-9909642078,ZINC22_426405757,PC-id_121497032,EMOLS-id_177379538	385.463	QYUXOQIXKIZZSD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105165
Cc1cc(N)n(CC(=O)NCc2cc3CN(CCCn3n2)C(=O)C2CCC2)n1	PC-id_72881222,ZINC22_91624695,MCULE-2531443266,EMOLS-id_46056451	385.463	SBTMSMRNHGHKEQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-105166
CC1OC(C)CN(C1)c1ccccc1NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102010383	385.463	MQRPGGLXLUIDEZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105167
CCC(c1nnc2n1CCCCC2)NC(=O)c1ncnc(c1)N1CCOCC1	EMOLS-id_320133238,MCULE-5116575855	385.463	CWOQCIVNJQHBSB-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-105168
CC(C)CC(=O)NCc1cc(CNC(=O)[C@H]2CCCCn3nnnc23)ccn1	ZINC22_2100473664	385.463	SLEPQSOBUYJTSA-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105169
CC(C)CC(=O)NCc1cc(CNC(=O)[C@@H]2CCCCn3nnnc23)ccn1	ZINC22_2100473665	385.463	SLEPQSOBUYJTSA-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105170
CC[C@@H]1C[C@@H](C1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366834	385.463	INDCTSWRKARSHA-ZNMIVQPWSA-N	00001000100000000101000000000010000000000000000000000000	31-01-105171
CC[C@@H]1C[C@H](C1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366835	385.463	INDCTSWRKARSHA-KKUMJFAQSA-N	00001000100000000101000000000010000000000000000000000000	31-01-105172
CCOc1ncnc(c1)NC1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319828384,MCULE-1091318376	385.463	MXXFMWNRBKIRNE-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-105173
CN=C(N1CCN(CC1)C(=O)c1ccco1)NCc1nnc2n1CCCCC2	PC-id_111168109	385.463	AMHHSKGAZIRICG-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-105174
COc1ccc(NC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cn1	PC-id_51112019,MCULE-1889221494,ZINC22_54950172,EMOLS-id_33341549	385.463	SOISGHLENWLPIA-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-105175
O=C1C(CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CCCCC1	SCHEMBL18366496	385.463	DVWCJMTWPNADMV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105176
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CC(C1)(C)C	SCHEMBL18366978	385.463	FOFSTRTXVMHKFB-AWEZNQCLSA-N	00001000100000000101000000000010000000000000000000000000	31-01-105177
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1(C)CCCC1	SCHEMBL18366827	385.463	UGMCNOMTNGPWBX-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-105178
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CCCCC1	SCHEMBL18372807	385.463	DVWCJMTWPNADMV-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105179
O=C(NCc1ccc(N2CCCCC2)nc1)NCc1nnc2n1CCOCC2	EMOLS-id_320312014,MCULE-4334833200,ZINC22_1615589598	385.463	ITBFVYQELCOJOB-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-105180
CN=C(N1CCN(C(=O)C1)c1cnn(c1)C)NCc1nnc2n1CCCCC2	PC-id_109432713	385.467	VRKDTDKAJXJZDS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-105181
CCCCCCOC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(cc1)F	SCHEMBL11201423,PC-id_20483775	385.472	PBXUUQAYCSWPHM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105182
c1(C(O)C2CCC2)cc2n(CCCN(CCCC(=O)c3ccc(cc3)F)C2)n1	PC-id_91766435,MCULE-5965410549,EMOLS-id_55620888	385.475	WWTNNAGNGKYJNJ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-105183
CNCC(C(n1c(=O)n(c2c1C(=CCC=C2)CF)C(C)C)c1ccccc1)O	PC-id_143120402	385.475	FKZPQDYALWKQLL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-105184
O=C(CCCN1CCCn2nc([C@@H](O)C3CCC3)cc2C1)c1ccc(F)cc1	PC-id_100030127,ZINC22_218943279	385.475	WWTNNAGNGKYJNJ-QFIPXVFZSA-N	00001000100000110101000000000010000000000000000000000000	31-01-105185
O=C(CCCN1CCCn2nc([C@H](O)C3CCC3)cc2C1)c1ccc(F)cc1	ZINC22_218943348,PC-id_100030128	385.475	WWTNNAGNGKYJNJ-JOCHJYFZSA-N	00001000100000110101000000000010000000000000000000000000	31-01-105186
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)OC	MCULE-2459900362,PC-id_4617101	385.477	AUBIFUSPDKOVKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105187
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCCCC3)c1	ZINC22_4767631,PC-id_7351932,CoCoCo_2861295	385.477	VRJGHVBWHSVALM-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105188
CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCCCC3)c1	ZINC22_4767634,CoCoCo_2861294,PC-id_7351933	385.477	VRJGHVBWHSVALM-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105189
CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCCCC3)cc1	CoCoCo_2861289,ZINC22_5361708,PC-id_7649819	385.477	MYDOIQNULAPNRD-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105190
CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCCCC3)cc1	ZINC22_5361713,PC-id_7649821,CoCoCo_2861288	385.477	MYDOIQNULAPNRD-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105191
COc1ccc(cc1)/C=C/C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	ChemDIVC322-0004,STOCK3S-13436,EMOLS-id_26295098,PC-id_1920167,CoCoCo_2079533,ZINC22_2300813	385.477	AUBIFUSPDKOVKM-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105192
COc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	CoCoCo_2079534	385.477	AUBIFUSPDKOVKM-RAXLEYEMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105193
COCCOCOC1CCCS(=O)(=O)c2c1sc(c2)S(=O)(=O)N	PC-id_20194726,SCHEMBL10801119	385.477	BICNRZVYUBPJCG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-105194
O=C(C(OC(=O)c1cc2c(s1)CCCCC2)C)Nc1cccc(c1)C(=O)C	EMOLS-id_43703887,PC-id_42899183,MCULE-6875639364	385.477	VRJGHVBWHSVALM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105195
O=C(C(OC(=O)c1cc2c(s1)CCCCC2)C)Nc1ccc(cc1)C(=O)C	PC-id_16509372,MCULE-1267868659,EMOLS-id_43703881	385.477	MYDOIQNULAPNRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105196
s1c2CCCCCc2cc1C(=O)OCC(=O)c1ccc(NC(=O)CC)cc1	PC-id_7649922	385.477	BPIFTOWJWBCNNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105197
s1c2CCCCCCc2cc1C(=O)OCC(=O)c1ccc(NC(=O)C)cc1	PC-id_7618418	385.477	AAMMUIBXEYKVPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105198
S(=O)(=O)(C1Cc2cc(oc2)CCC#CCCCCNC1=O)c1ccccc1	PC-id_10971062	385.477	IVTOFINEQNEMIB-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-105199
C1CCc2nnc(n2CC1)CCNC(=O)N1CCC(C1)Cc1ccc(cc1)F	EMOLS-id_316801494,MCULE-7735082703,PC-id_136526818	385.478	SMPFYMZDQDEKIA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105200
c1(CN(c2ccc(cc2)F)C(=O)NC2CCCCC2)nnc2CCCCCn12	PC-id_4345581,MCULE-5397366073,ZINC22_4982878,EMOLS-id_10084750,NSC744112,CoCoCo_6270349	385.478	OPTNXURWSKKLQJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105201
c1(CN(c2cccc(F)c2)C(=O)NC2CCCCC2)nnc2CCCCCn12	ZINC22_5223402,EMOLS-id_10085704,PC-id_7565910,CoCoCo_6271264,MCULE-3869498767	385.478	WNYYBMPMLGSKQV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105202
CCC(c1nnc2n1CCCCC2)NC1CCCN(C1=O)c1ccccc1F	EMOLS-id_318417921	385.478	KYMBVATZJRAYLF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105203
CC(C)/C=C/CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1	ZINC22_11882184,CoCoCo_1128007,PC-id_42248236,CoCoCo_1128005,EMOLS-id_232701970	385.478	ONNLDJCHKJRCQF-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105204
CC(/C=CCN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccc(cc1)F)C	CoCoCo_1128004,CoCoCo_1128006	385.478	ONNLDJCHKJRCQF-ARJAWSKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105205
Fc1ccc(c(c1)C)N1CCCC(C1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101720136	385.478	MQNZOVNHBNDIPO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105206
Fc1c(CCC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cccc1	PC-id_51317238	385.478	DBFIAPDSWJTDIN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105207
Fc1c(N(C(=O)NC2CCCCC2)Cc2n3CCCCCc3nn2)cccc1	PC-id_7565941	385.478	QAVQPRZXEJZLNF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105208
n12CCN(CCc1nnc2CCNC(=O)c1ccc(cc1)F)CC=CC(C)C	MCULE-7688805344,PC-id_74786062	385.478	ONNLDJCHKJRCQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105209
O=C1c2n(c(nc2CCCC1)CCC)Cc1ccc(cc1)c1c(cccc1)[14C]#N	PC-id_10362672	385.478	WFVMEXWOQHYHQH-VPMSBSONSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105210
O=C(NCCc1nnc2n1CCCCC2)N1CC[C@@H](Cc2ccc(F)cc2)C1	ZINC22_125101680	385.478	SMPFYMZDQDEKIA-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105211
O=C(NCCc1nnc2n1CCCCC2)N1CC[C@H](Cc2ccc(F)cc2)C1	ZINC22_125101921	385.478	SMPFYMZDQDEKIA-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105212
c1(c2CCCCCc2sc1NC(=O)c1cccnc1)C(=O)N1CCOCC1	EMOLS-id_1230885,PC-id_2854238,CoCoCo_81710,BAS-00486684,CHEMBL1529091,ZINC22_3100261,MCULE-1991195165	385.48	FQWCODRPNSJBNX-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-105213
c1(c2CCCCCc2sc1NC(=O)c1ccncc1)C(=O)N1CCOCC1	MCULE-5385033402,BAS-00486683,PC-id_1350800,EMOLS-id_1230883,ZINC22_1188748,CoCoCo_81709	385.48	PNPSTNUYLFSNDP-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-105214
c1(cc2c(CCCCC2)s1)C(=O)NN=C(C)c1ccc(cc1)OCC(=O)N	MCULE-5191070070,PC-id_72175221	385.48	PGKFKUCJIZKWJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105215
c1(cc2c(cc(c(OC)c2)OC)n1C)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323238553,MCULE-6940827063	385.48	DZMZWCFEXMMWIM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-105216
c1(C(=O)Nc2sc3c(CCCCC3)n2)cc2c(cc(cc2OC)OC)n1C	EMOLS-id_323259033,MCULE-6356317304	385.48	YJCYHTYYVYWLQS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-105217
c1(NC(=O)CCC(=O)Nc2ccc(cc2)C(=O)C)sc2c(CCCCC2)n1	MCULE-7688773427,EMOLS-id_334973302	385.48	IQPSGEFPUFCFER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105218
c1(NC(=O)CCC(=O)Nc2cccc(C(=O)C)c2)sc2c(CCCCC2)n1	EMOLS-id_334976382,MCULE-7062605535	385.48	UGUMWPZNRRBBFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105219
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2ccc(cc2)OC)C1	EMOLS-id_323412364,MCULE-9997770425	385.48	RYGMAKSYESJLGY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-105220
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2cccc(OC)c2)C1	PC-id_46559183,MCULE-7526018661,EMOLS-id_323382936	385.48	FALAKJWPCXUVGM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-105221
C=CCOc1ccc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)cc1	ZINC22_1565554560,EMOLS-id_313791026	385.48	AHDGPCHKTGBQEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105222
C/C(=NNC(=O)c1cc2CCCCCc2s1)/c1ccc(OCC(=O)N)cc1	CoCoCo_6835073,EMOLS-id_46458626,PC-id_17349588,TIMTEC377186	385.48	PGKFKUCJIZKWJR-LPYMAVHISA-N	00000000100000110100000000000010000000000000000000000000	31-01-105223
COc1ccc(cc1)C(=O)N1CCc2nc(sc2CC1)C(=O)N1CCCC1	EMOLS-id_44379424,ZINC22_96264795,PC-id_97524728	385.48	GLDGSFOSFYRXHS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105224
COc1cccc(c1)C(=O)N1CCc2nc(sc2CC1)C(=O)N1CCCC1	PC-id_97442555,ZINC22_96147031,EMOLS-id_44304030	385.48	SYXNVALSQIGZAV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105225
COc1ccccc1N1CC(CC1=O)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_323356570,MCULE-6379648078	385.48	NBVQEXDBVNIQFT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-105226
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)C2CC2)c1	EMOLS-id_313790520,ZINC22_2055785328	385.48	GEGZMUNQVTXHML-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105227
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)C2CC2)cc1	EMOLS-id_313794358,ZINC22_2055793500	385.48	LKAYCNIPLLLQSG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105228
COc1ccc(OC)c2n(C)c(cc12)C(=O)Nc1nc2CCCCCc2s1	MCULE-8235456163,EMOLS-id_323227284	385.48	RFLFYKXXFQWCJX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-105229
NC(=O)COc1ccc(cc1)/C(=NNC(=O)c1cc2c(s1)CCCCC2)/C	PC-id_27521104,CoCoCo_6835074	385.48	PGKFKUCJIZKWJR-XKZIYDEJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105230
OC1CC(C1)C(=O)N1CCc2nc(sc2CC1)C(=O)NCc1ccccc1	EMOLS-id_313791290,ZINC22_1565555396	385.48	GQZBLNPJCKAXRI-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-105231
O=C(c1cc2c(s1)CCCCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	CoCoCo_3304077,EMOLS-id_43836774,MCULE-2682990992,PC-id_7921190,ZINC22_6236783	385.48	QMIVXIYNNREBKW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105232
O=C(NCc1ccccc1)c1nc2CCN(CCc2s1)C(=O)C1CCOC1	EMOLS-id_313790778	385.48	WUYSNTMDOFIZJI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105233
O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(=O)[C@H]1CCOC1)CC2	ZINC22_1565554645	385.48	WUYSNTMDOFIZJI-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105234
O=C(NNC(=O)c1cc2c(s1)CCCCC2)CCNC(=O)c1ccccc1	MCULE-2065223580,PC-id_22108829,CoCoCo_3430046,EMOLS-id_13567288	385.48	ZVQAFLNMPJCKNG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105236
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)c1c([N+](=O)[O-])cccc1	PC-id_27825666	385.48	OQAYLFYGMPWCMB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105237
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)CC)ccc1	PC-id_52294724	385.48	ZHQBRDHWSUCSCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105238
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1ccc(NC(=O)C)cc1	PC-id_8409381	385.48	ZUIIYJQBZGBIKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105239
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1ccc(cc1)C	PC-id_24554103	385.48	UBQQCPUDEUDYNO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105240
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1c(cccc1)C	PC-id_60422844	385.48	SWVRWKWBNOUBPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105241
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)Cc1ccccc1	PC-id_34035706	385.48	FGTMNUQRQSKJOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105242
s1c2c(CCCCC2)c(c1NC(=O)c1cc(NC(=O)CC)ccc1)C(=O)N	PC-id_55884184	385.48	MGYSTMKRWRQFTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105243
s1c2c(CCCCC2)c(c1NC(=O)CCNC(=O)c1ccccc1)C(=O)N	PC-id_55334231	385.48	HUWYRHQOXVYNJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105244
s1c2CCCCCc2nc1NC(=O)CCCOc1c(OC)cc(cc1)C#N	PC-id_46472247	385.48	TVABISVWNWXAOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105245
s1c2CCCCCc2nc1NC(=O)COc1cc(NC(=O)C2CC2)ccc1	PC-id_46411205	385.48	HLJLNGHJUMTEFJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105246
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1ccccc1	PC-id_9441640	385.48	OQGXGYWRDBLHEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105247
s1c2CCCCCCc2nc1NC(=O)/C=C/c1ccc(OCC(=O)N)cc1	PC-id_56035730	385.48	KDOLKURTHVMOAK-FMIVXFBMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105248
s1c2CCCCCCc2nc1NC(=O)C=Cc1ccc(OCC(=O)N)cc1	PC-id_76295384	385.48	KDOLKURTHVMOAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105249
s1c2NC(=O)C(N(CCc3ccccc3)C(=O)c2cc1)C(=O)NC(C)(C)C	PC-id_46868604	385.48	YBKCEGZLAIDUIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105250
CN=C(N1CCN(CC1)c1ccccc1F)NCc1nnc2n1CCCCC2	PC-id_111148923	385.482	XIOPOJFESKRBNY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105251
CN=C(N1CCN(CC1)c1ccc(cc1)F)NCc1nnc2n1CCCCC2	PC-id_111165637	385.482	DNWWCLBSGUYAID-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105252
Fc1ccc(cc1)N1CCN(CC1)C(=NCCc1nnc2n1CCCCC2)N	PC-id_111039211	385.482	SNLDZKPKOLEJQT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105253
c12ncn(CCSCC)c1c(=O)nc(N(C)Cc1ccccc1C)[nH]c2=O	CoCoCo_1480606,PC-id_31105017,MCULE-7939062503,ZINC22_23429711,EMOLS-id_24862265	385.483	YALJKDYKGNYDFX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-105254
c1(oc(nn1)CCC(=O)NCc1c2CCCCCc2[nH]n1)c1ccc(C)s1	EMOLS-id_24856521,CoCoCo_1314295,Chemmine_31378,CoCoCo_1314296,PC-id_30957001,ZINC22_23250848,MCULE-7708307933	385.483	COZBYGVODSPYPF-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-105255
Cc1ccc(c2nc(C)c(C(=O)N(C)Cc3nnc4n3CCCCC4)s2)o1	ZINC22_42359462,MCULE-9359796672,PC-id_47030824,EMOLS-id_31933350	385.483	PMUCQLQKSPESJP-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-105256
Cc1ccc(cc1S(=O)(=O)NCc1n[nH]c2CCCCCc12)n1cccn1	EMOLS-id_222787577,MCULE-5929343470,ZINC22_670468905	385.483	IGFZBRYZBNUPGS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105257
Cc1cc(C)cc(n2ccnc2S(=O)(=O)Cc2nnc3n2CCCCC3)c1	EMOLS-id_316188956,ZINC22_278734999,MCULE-7385563126	385.483	LNFJECGHLRLLTE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105258
Cc1cc(n2c(C)cc(C(=O)CSc3nnc4n3CCCCC4)c2C)no1	ZINC22_6579992,MCULE-4361708723,CoCoCo_3082184,PC-id_8001639,EMOLS-id_3501820	385.483	CHVLEZLEQVPLLB-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-105259
Cc1cnc(cn1)C(=O)N1CCc2nc(sc2CC1)C(=O)N1CCCCC1	PC-id_97524708,ZINC22_96264775,EMOLS-id_44379384	385.483	VCZXDFFGJNEHQY-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-105260
Cc1onc(c1)n1c(C)cc(c1C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3082185,CoCoCo_3082188	385.483	PJYNTUITGDJPIF-WJDWOHSUSA-N	00000000110000000101100000000010000000000000000000000000	31-01-105261
Cc1onc(c1)n1c(C)cc(c1C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3082187,CoCoCo_3082186	385.483	PJYNTUITGDJPIF-LFIBNONCSA-N	00000000110000000101100000000010000000000000000000000000	31-01-105262
COc1ccccc1N(CCC#N)C(=O)CSc1nnc2n1CCCCC2	MCULE-5399458829,CoCoCo_3081730,PC-id_7876965,ZINC22_6097553,EMOLS-id_15281104	385.483	XQUMGXLDCIVSOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105263
COCc1nnc2n1CCC(CC2)NC(=O)CCc1nc2ccccc2s1	MCULE-8880973685,PC-id_91922601,EMOLS-id_50590345	385.483	NXIKFUSKCBGOOE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105264
N#Cc1c(NC(=O)CN2CCc3c(C2)n(C)nc3O)sc2c1CCCCC2	EMOLS-id_279102335	385.483	CAIGNPPVHVPDND-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105265
O=C1NCCN(C1)c1ccnc(c1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99903195	385.483	LXIXPUULBZDMJP-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-105266
O=C(C1CC1)NCc1nnc2n1CCN(CC2)C(=O)CSc1ccccc1	PC-id_28956227,CoCoCo_1240996	385.483	WNXMKNHIKBSJCQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105267
O=C(c1ccc(nn1)N1CCCC1)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-8106757775,PC-id_71880153,EMOLS-id_44564027	385.483	DIZJPZVEGIRBBL-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-105268
O=C(CN1CCc2nc(sc2CC1)C(=O)Nc1ccncc1)N1CCCC1	EMOLS-id_313791803,ZINC22_2055785511	385.483	YOUGNTCWKZUWLE-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-105269
O=C(Cn1nc2n(c1=O)CCCCC2)NCC(c1nc2c(s1)cccc2)C	PC-id_86858239	385.483	TXPPKAKAAQGPAP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105270
O=C(CSc1nnc2n1CCCCC2)Nc1cccc(C(=O)NC2CC2)c1	EMOLS-id_24139577,PC-id_42346587,MCULE-3688422371,CoCoCo_4417181,ZINC22_12001996	385.483	JXJNYVBJJWVVTD-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105271
O=C(CSc1nnc2n1CCCCC2)Nc1ccc(N2CCCC2=O)cc1	ZINC22_7081641,CoCoCo_4013279,EMOLS-id_11774189,MCULE-1153418274,PC-id_8211725	385.483	AVMHETMPYMMTEN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-105272
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)Nc1cc2sc(=O)n(c2cc1C)C	EMOLS-id_318216395	385.483	QGRVDTSGEGDGFW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105273
[O-][N+](=O)c1cccc(c1C)C[NH+]1CCN(CC1)Cc1nnc2n1CCCCC2	PC-id_52285442,GD-id_ZINC48262658	385.483	YCVYDRSBEJPRHF-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-105274
s1c2cc(C(=O)N3CCCn4nc(cc4C3)CN(CCO)C)ccc2nc1	PC-id_56908695	385.483	LQNUJHIRPNLQJM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105275
s1c(nc(CC(=O)NCCc2n3CCCCCc3nn2)c1)c1oc(cc1)C	PC-id_55618630	385.483	INRWQLLIKVTEHU-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-105276
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(C(=O)NC2CC2)cccc1	PC-id_7877622	385.483	ZIXAPMQSBOTORR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105277
CCn1c(nnc1SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O)C1CC1	PC-id_135707441	385.487	ONLAGUQCGYDUCC-YPKPFQOOSA-N	00100000100000000101100000000010000000000000000000000000	31-01-105278
CN(C)c1ccc2nnc(CCC(=O)Nc3nc4CCCCCc4s3)n2n1	EMOLS-id_323471794,MCULE-1357865752	385.487	XPAUMDZLXHQITB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105279
S(c1n(c(nn1)C1CC1)CC)CC(=O)C(=C1N2CCCCCC2=NN1)C#N	PC-id_84884308	385.487	VCVSWFBAOVBNQP-UHFFFAOYSA-N	00100011100000000111100000000010000000000000000000000000	31-01-105280
S(c1n(c(nn1)C1CC1)CC)CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8959772	385.487	VCVSWFBAOVBNQP-GHRIWEEISA-N	00100011100000000111100000000010000000000000000000000000	31-01-105281
CCCC(OC(=O)CC1CCCCc2c(C1(F)F)nnn2C(C)(C)C)(C)C	SCHEMBL20807335,PC-id_138462674	385.492	PSOZBYKXOXYXSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105282
CN(C(=O)COC(=O)c1cc2c(s1)CCCCC2)[C@@H]1CCS(=O)(=O)C1	CoCoCo_2861372,ZINC22_3552973,PC-id_2670099	385.498	UYKUPTSJVNCBTR-CYBMUJFWSA-N	00000010100000000100000000000010000000000000000000000000	31-01-105283
CN(C(=O)COC(=O)c1cc2c(s1)CCCCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_4767887,PC-id_6601543,CoCoCo_2861371	385.498	UYKUPTSJVNCBTR-ZDUSSCGKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-105284
COC(=O)C1CS(=O)(=O)CCN1C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_111160611	385.498	GZTCCOWTTFXRNE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105285
O=C(N(C1CCS(=O)(=O)C1)C)COC(=O)c1cc2c(s1)CCCCC2	PC-id_18777862,MCULE-1218165411,EMOLS-id_18864293	385.498	UYKUPTSJVNCBTR-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-105286
O(C(=O)c1ccc(CCCCCCCC)cc1)c1cc2-c(c1)ccc(cc2)C#N	PC-id_71342869	385.498	IABVNEAABWFMLT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-105287
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1ccc(F)cc1)C)C#N	PC-id_9251725	385.498	YNZSWVBBTXRWMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105288
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1c(F)cccc1)C)C#N	PC-id_24428160	385.498	DCVUBJUYGHVXLK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105289
s1c2CCCCCc2c(c1NC(=O)CN(C(c1ccc(F)cc1)C)C)C#N	PC-id_46663024	385.498	ZYMOCWBFKPFOBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105290
s1c2CCCCCc2c(c1NC(=O)CN(Cc1cc(F)ccc1)CC)C#N	PC-id_28227194	385.498	BDZYFXGGSWYFAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105291
s1c2CCCCCc2c(c1NC(=O)C(N(Cc1c(F)cccc1)C)C)C#N	PC-id_24506948	385.498	KGBIRZRWCAOVNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105292
s1c2c(CCCCC2)c(c1NC(=O)CSCCC(=O)OC)C(=O)OC	PC-id_8766135	385.498	KGPMRDCBKLTUKE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-105293
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)OCC)C(=O)OC	PC-id_8604568	385.498	MDAHONSYOCLXGT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-105294
S1(=O)(=O)CC(NC(=O)COC(=O)c2sc3CCCCCc3c2)(CC1)C	PC-id_16509369	385.498	HRSAPKKAKIMAKK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-105295
S1(=O)(=O)C[C@@](NC(=O)COC(=O)c2sc3CCCCCc3c2)(CC1)C	PC-id_7649793	385.498	HRSAPKKAKIMAKK-KRWDZBQOSA-N	00000010100000000100000000000010000000000000000000000000	31-01-105296
S1(=O)(=O)C[C@](NC(=O)COC(=O)c2sc3CCCCCc3c2)(CC1)C	PC-id_7649796	385.498	HRSAPKKAKIMAKK-QGZVFWFLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-105297
S1(=O)(=O)CC(NC(=O)COC(=O)c2sc3CCCCCCc3c2)CC1	PC-id_24341552	385.498	NHNZIFHTPWHYQF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-105298
CCc1c(nn2c1OCCCC2)C(Cc1ccccc1)NC(=O)OC(C)(C)C	SCHEMBL14208148,PC-id_71098660	385.5	KFRWPPYTENQJBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105299
CCOc1ccc(cc1OCC)CCNC(=O)Cn1cc2c(n1)CCCCC2	PC-id_20892471,CoCoCo_2192311	385.5	XJQMLNHACWYVAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105300
CC(OC(=O)c1ccc(cc1)COC1CCCCCc2c1nnn2C(C)C)C	SCHEMBL20998808,PC-id_138631918	385.5	UOHMZJXPOQFLMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105301
N#Cc1[nH]c2c(c1)C(C)(C)CN(CC2C(=O)OC(C)C)C(=O)C1CCCCC1	BindingDB_PC-id_45484804,PC-id_45484804,SCHEMBL4134309	385.5	SUVANBJNLDDPCX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-105302
s1c2CCCCCCCCCCc2nc1NC(=O)c1c(cccc1)C(=O)[O-]	PC-id_1629951	385.5	VTEMDEMYUQOWDU-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-105303
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1ccc(c(C)c1C)OC	PC-id_70748877,ZINC22_82120647,MCULE-3265357613,EMOLS-id_44439023	385.503	DSJLUFMUBBPNKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105304
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1cc(C)cc(C)c1OC	ZINC22_82116406,PC-id_70745730,MCULE-9369849656,EMOLS-id_44437951	385.503	WWNAJGMYHKBKCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105305
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(CC(=CC)C)CCn12	MCULE-1793474523,PC-id_74807405	385.503	VREPFKMYUSXGDU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-105306
c1(C(CC(C)C)NC(=O)C)nnc2CCN(CC(=Cc3ccco3)C)CCn12	MCULE-3923127493,PC-id_75100604	385.503	OIJCXXUDUOWTGI-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-105307
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccccc3)CCn12	MCULE-9267588524,EMOLS-id_20515755,PC-id_45197083,ChEMBL-DNDi_CHEMBL31025835	385.503	VPDAKTSYRCQIAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105308
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(cc3)OCC)CCn12	EMOLS-id_20495827,MCULE-7794731348,PC-id_45192547	385.503	SBXPXZTVNZJMSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105309
c1(NC(=O)c2ccc3c(scn3)c2)sc2c(CCCCC2)c1C(=O)NC	CoCoCo_5058698,ZINC22_4326523,EMOLS-id_28208558,PC-id_7190296,MCULE-1040640455	385.503	NGDDUUWHISBLRK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105310
c1(NC(=O)c2sc3c(cccc3)n2)sc2c(CCCCC2)c1C(=O)NC	EMOLS-id_5523537,PC-id_7190290,MCULE-9355264439,ZINC22_4326507,CoCoCo_5058676	385.503	JGXDZTXXYXWITM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105311
Cc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)o1	PC-id_28311178,EMOLS-id_20416678,ZINC22_19742503,CoCoCo_1154258,MCULE-3852281844,CoCoCo_1154257	385.503	CSRHCOVVWXMCPW-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-105312
C/C=C(C)/CN1CCc2nnc(C(CC(C)C)NC(=O)c3ccco3)n2CC1	EMOLS-id_26004745,PC-id_45206209	385.503	VREPFKMYUSXGDU-FZSIALSZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-105313
CCC(C)CN1CCc2nnc(CCNC(=O)c3ccc(OC)cc3)n2CC1	EMOLS-id_20412898,MCULE-7975882198,PC-id_45173421	385.503	SHCLQVPBMOCMBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105314
CC(C)(C)CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1	CoCoCo_1304125,PC-id_42367803,MCULE-7768147577,CoCoCo_1304124,ZINC22_12036606,EMOLS-id_20522609	385.503	GSYDZVXMILVRAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105315
CC(C)CCN1CCc2nnc(C(C)NC(=O)COc3ccccc3)n2CC1	MCULE-3564728486,PC-id_45206741,EMOLS-id_20558055	385.503	LBDZWEDVBCFFJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105316
C/C=C(C)/CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1	PC-id_42482868,CoCoCo_1352120,ZINC22_12245563,CoCoCo_1352122	385.503	VREPFKMYUSXGDU-RPDKKYPRSA-N	00000000101000000101000000000010000000000000000000000000	31-01-105317
C/C=C(C)/CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1	PC-id_42482870,ZINC22_12245564,CoCoCo_1352124,CoCoCo_1352126	385.503	VREPFKMYUSXGDU-DNIVAWAASA-N	00000000101000000101000000000010000000000000000000000000	31-01-105318
CC(C)CCN1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1	CoCoCo_1355597,CoCoCo_1355596,ZINC22_12280569	385.503	LBDZWEDVBCFFJI-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105319
CC(C)CCN1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1	ZINC22_12280573,CoCoCo_1355599,CoCoCo_1355598	385.503	LBDZWEDVBCFFJI-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105320
CC(C)CC(NC(=O)C)c1nnc2CCN(C/C(=C/c3ccco3)/C)CCn12	ChEMBL-DNDi_CHEMBL46599240,EMOLS-id_44853037,PC-id_45212802	385.503	OIJCXXUDUOWTGI-DTQAZKPQSA-N	00000000101000000101000000000010000000000000000000000000	31-01-105321
CC(C[C@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccco1)/C)NC(=O)C)C	CoCoCo_1394621,CoCoCo_1394622,CoCoCo_1394623	385.503	OIJCXXUDUOWTGI-XCTGESOMSA-N	00000000101000000101000000000010000000000000000000000000	31-01-105322
CC(C[C@@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccco1)/C)NC(=O)C)C	CoCoCo_1394627,CoCoCo_1394625	385.503	OIJCXXUDUOWTGI-AGWAZZAUSA-N	00000000101000000101000000000010000000000000000000000000	31-01-105323
C/C=C(CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1ccco1)CC(C)C)/C	CoCoCo_1352121,CoCoCo_1352119	385.503	VREPFKMYUSXGDU-HFLUPCSWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-105324
C/C=C(CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1ccco1)CC(C)C)/C	CoCoCo_1352125,CoCoCo_1352123	385.503	VREPFKMYUSXGDU-JVMBSBNBSA-N	00000000101000000101000000000010000000000000000000000000	31-01-105325
CCCCN(CC)C(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	EMOLS-id_207877224,MCULE-4869111588	385.503	RUISNFPBFHQPRR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105326
CC[C@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(OC)cc3)n2CC1	CoCoCo_1148970,ZINC22_12099482,CoCoCo_1148968	385.503	SHCLQVPBMOCMBY-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105327
CC[C@@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(OC)cc3)n2CC1	CoCoCo_1148971,ZINC22_12099481,CoCoCo_1148969	385.503	SHCLQVPBMOCMBY-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105328
CCn1nc2c(c1C(=O)N1Cc3cnn(C)c3CC(C)(C)C1)C[C@H](C)O[C@@H]2C	EMOLS-id_324068160,MCULE-5408603723,ZINC22_1875314072,PC-id_146100342	385.503	GFPSGFVIHAGVPI-UONOGXRCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105329
CCOc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1	CoCoCo_1265148,ZINC22_20599919,CoCoCo_1265149	385.503	SBXPXZTVNZJMSY-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105330
CCOc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1	CoCoCo_1265151,ZINC22_20599920,CoCoCo_1265150	385.503	SBXPXZTVNZJMSY-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105331
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C/C(=C/c1ccco1)/C)CC2	CoCoCo_1394628,CoCoCo_1394626,ZINC22_14995150	385.503	OIJCXXUDUOWTGI-XAVZPLJISA-N	00000000101000000101000000000010000000000000000000000000	31-01-105332
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C/C(=C/c1ccco1)/C)CC2	ZINC22_14995148,CoCoCo_1394624	385.503	OIJCXXUDUOWTGI-NRMGUKERSA-N	00000000101000000101000000000010000000000000000000000000	31-01-105333
CN(C(=O)CCc1nnc(o1)C1CCCCC1)Cc1[nH]nc2c1CCCCC2	CoCoCo_1374884,PC-id_42528558,CoCoCo_1374885	385.503	FSHLVDZXXPOBIT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-105334
COc1ccccc1[C@@H](CNC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)N(C)C	ZINC22_888101864	385.503	PPDISVSRWBBEQI-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105335
COc1ccccc1[C@H](CNC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)N(C)C	ZINC22_888101866	385.503	PPDISVSRWBBEQI-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105336
COc1ccccc1C(N(C)C)CNC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316874987,MCULE-9603728726	385.503	PPDISVSRWBBEQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105337
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(CC(C)(C)C)CCn12	MCULE-4513113310,PC-id_42361382,EMOLS-id_20565623,CoCoCo_1366666,CoCoCo_1366667,ZINC22_12027891	385.503	BRWCDDYBPMDULO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105338
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(CCC(C)C)CCn12	PC-id_42471583,CoCoCo_1489711,EMOLS-id_20647309,ChEMBL-DNDi_CHEMBL64020130,ZINC22_12217905,MCULE-9783079031,CoCoCo_1489712	385.503	ITWAGAQKWUXCJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105339
COc1ccc(cc1)C(=O)NC(=S)Nc1sc2c(c1C#N)CCCCC2	PC-id_1102064,MCULE-3986549848	385.503	SUOSWVPYYNXCQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105340
COc1ccc(Nc2nc(C(=O)N3CCCc4sccc4C3)cs2)cc1	ZINC22_608361156	385.503	CWPWSMZOJVYBOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105341
COc1cc(NC2CCCN(C2)Cc2nnc3n2CCCCC3)cc(c1)OC	EMOLS-id_100583152	385.503	ASCICPCCVFFVOR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105342
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(C)cc3C)CCn12	PC-id_45196344,EMOLS-id_20512525,MCULE-6229713843	385.503	AGUKEAGFDUGFRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105343
COCCC(=O)NC(C)c1nnc2CCN(Cc3cc(C)cc(C)c3)CCn12	MCULE-8033271072,PC-id_45179278,EMOLS-id_20438203	385.503	YTWMXWWSUJFQHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105344
COCCC(=O)NC(C)c1nnc2CCN(CCCc3ccccc3)CCn12	PC-id_45191124,EMOLS-id_20489477,MCULE-4354721624	385.503	KUCTXCHTRLPLKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105345
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1C)CC2	CoCoCo_1289358,CoCoCo_1289359,ZINC22_20777943,PC-id_29150924	385.503	AGUKEAGFDUGFRG-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105346
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1C)CC2	ZINC22_20777939,CoCoCo_1289361,CoCoCo_1289360,PC-id_29150923	385.503	AGUKEAGFDUGFRG-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105347
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cc(C)cc(C)c1)CC2	CoCoCo_1184068,CoCoCo_1184069,ZINC22_19839076	385.503	YTWMXWWSUJFQHB-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105348
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cc(C)cc(C)c1)CC2	CoCoCo_1184071,ZINC22_19839074,CoCoCo_1184070	385.503	YTWMXWWSUJFQHB-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105349
COCCC(=O)N[C@H](C)c1nnc2n1CCN(CCCc1ccccc1)CC2	CoCoCo_1256135,CoCoCo_1256134,ZINC22_11983366	385.503	KUCTXCHTRLPLKI-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105350
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(CCCc1ccccc1)CC2	CoCoCo_1256137,CoCoCo_1256136,ZINC22_11983362	385.503	KUCTXCHTRLPLKI-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105351
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1)CC2	CoCoCo_1294070,PC-id_42344560,ZINC22_11999519,CoCoCo_1294069	385.503	VPDAKTSYRCQIAK-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105352
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1)CC2	CoCoCo_1294071,ZINC22_11999517,CoCoCo_1294072,PC-id_42344557	385.503	VPDAKTSYRCQIAK-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105353
NC(=O)c1c(NC(=O)Cc2ccc3ncsc3c2)sc2c1CCCCC2	ZINC22_2325731698	385.503	KEGOQPJRNUJUAA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105354
O1CCN(C2CN(CC2)Cc2nn3c(c2)CN(CCC3)Cc2ccoc2)CC1	EMOLS-id_43090245,MCULE-3664906262,PC-id_56890165	385.503	RFNZSWMUQAXDOY-UHFFFAOYSA-N	00000010101010000101100000000010000000000000000000000000	31-01-105355
O1CCN(CC1)[C@H]1CCN(C1)Cc1nn2c(c1)CN(CCC2)Cc1cocc1	PC-id_95713190	385.503	RFNZSWMUQAXDOY-FQEVSTJZSA-N	00000010101010000101100000000010000000000000000000000000	31-01-105356
O1CCN(CC1)[C@@H]1CCN(C1)Cc1nn2c(c1)CN(CCC2)Cc1cocc1	PC-id_98769764	385.503	RFNZSWMUQAXDOY-HXUWFJFHSA-N	00000010101010000101100000000010000000000000000000000000	31-01-105357
O(c1c(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)cccc1)CC	PC-id_7566062	385.503	DNQZJTRCCNMDOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105358
O(c1c(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)cc(cc1)C)C	PC-id_7566147	385.503	AXFMMUQXCIBQAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105359
O=C(c1cccc(c1)OCc1cscn1)Nc1nc2c(s1)CCCCC2	CoCoCo_4546249,PC-id_29859507	385.503	UUZZSORLXVXQRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105360
O=C(c1cccn1CCN1CCOCC1)N1Cc2cnn(c2CC(C1)(C)C)C	EMOLS-id_320012693,MCULE-8154901895	385.503	BIPBFVHYNFTQDE-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-105361
O=C(c1ccc(o1)CN1CCCCC1)NCCCc1nnc2n1CCCCC2	EMOLS-id_319392474	385.503	QSQHZPDHEQSXAX-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-105362
O(CCCNC(=O)NCCc1n2CCCCCc2nn1)CCc1ccccc1	PC-id_55910648	385.503	ZQPFMYCLIGJJPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105363
O=C(N1Cc2n(nc(c2)CN(CCC(O)c2ccccc2)C)CCC1)CNC	PC-id_56911115	385.503	GEABJPUXOCMMRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105364
O=C(N(Cc1n2CCCCCc2nn1)c1ccc(OCC)cc1)NCCCC	PC-id_7566026	385.503	GIWVRNOEQBWBCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105365
O=C(NCc1n2CCN(CC3CCCCC3)CCc2nn1)c1c(oc(c1)C)C	PC-id_56855978	385.503	OLAFOMRCIVZRGF-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-105366
s1c2CCCCCc2c(c1Nc1sc2c(n1)cc(OC)c(OC)c2)C#N	PC-id_43968984	385.503	QOQLMDACFCISKJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105367
s1c2CCCCCc2nc1NC(=O)c1ccc(OCc2ncsc2)cc1	PC-id_16606447	385.503	SKGNVJGOGNWJNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105368
s1c2CCCCCc2nc1NC(=O)c1nc(sc1)c1c(OC)cccc1	PC-id_56205037	385.503	INTJNGNOXUAUOH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105369
s1c2CCCCCCc2cc1C(=O)NCCCN1N=C2[NH+](C1=O)C=CC=C2	PC-id_75901866	385.503	GBJDUBPEUCFVSL-UHFFFAOYSA-O	00000011100011000101000000000110000000000000000000000000	31-01-105370
c1(C(=O)NCC2Cc3n(c(nn3)C)C2)cn2c(CCN(CC(C)(C)C)CC2)n1	EMOLS-id_331094547,MCULE-1706138018	385.506	AGDUTLLCUDDMMS-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-105371
Cc1nnc2n1C[C@H](CNC(=O)c1cn3c(n1)CCN(CC(C)(C)C)CC3)C2	ZINC22_1875243302	385.506	AGDUTLLCUDDMMS-HNNXBMFYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-105372
Cc1nnc2n1C[C@@H](CNC(=O)c1cn3c(n1)CCN(CC(C)(C)C)CC3)C2	ZINC22_1875243303	385.506	AGDUTLLCUDDMMS-OAHLLOKOSA-N	00000010100000000101000010000010000000000000000000000000	31-01-105373
Cc1nn(C)c(C)c1CC(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	EMOLS-id_44034526,MCULE-7537210406,PC-id_30177537,ZINC22_22283493	385.506	LAJQXSIPUGQNDB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105374
CC(C1OCCCC1Nc1ccnc(n1)NCc1nnc2n1CCCCC2)C	EMOLS-id_316114990,MCULE-4490098727	385.506	HBDUHZDURZXCEZ-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-105375
CC(C1OCCCC1Nc1ncnc(c1)NCc1nnc2n1CCCCC2)C	EMOLS-id_316868431,PC-id_145881096,MCULE-7993180049	385.506	YPNVKCCUSJVGJH-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-105376
CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(NCc2nnc3n2CCCCC3)n1	ZINC22_328628241	385.506	HBDUHZDURZXCEZ-BEFAXECRSA-N	00000000100010100101000000000010000000000000000000000000	31-01-105377
CC(C)[C@H]1OCCC[C@H]1Nc1ccnc(NCc2nnc3n2CCCCC3)n1	ZINC22_328628242	385.506	HBDUHZDURZXCEZ-DNVCBOLYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-105378
CC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(NCc2nnc3n2CCCCC3)n1	ZINC22_328628243	385.506	HBDUHZDURZXCEZ-HNAYVOBHSA-N	00000000100010100101000000000010000000000000000000000000	31-01-105379
CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(NCc2nnc3n2CCCCC3)n1	ZINC22_328628244	385.506	HBDUHZDURZXCEZ-KXBFYZLASA-N	00000000100010100101000000000010000000000000000000000000	31-01-105380
CC(=O)NC1CC(C1)c1nnc(n1C)CN(C)Cc1n[nH]c2c1CCCCC2	PC-id_91786761	385.506	VWQTZJRWAZYZDG-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-105381
CC(=O)N[C@H]1C[C@H](c2nnc(CN(C)Cc3n[nH]c4c3CCCCC4)n2C)C1	ZINC22_244866463,MCULE-9970767410,EMOLS-id_55679315	385.506	VWQTZJRWAZYZDG-SHTZXODSSA-N	00001000100000000101100000000010000000000000000000000000	31-01-105382
CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCc1nncn1C1CCCCC1	EMOLS-id_177438587,PC-id_121504505,MCULE-2552662743,ZINC22_426523730	385.506	VHWWERXRFIHOND-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-105383
CN=C(NCc1nnc2n1CCCCC2)NCC(c1ccco1)N1CCCC1	PC-id_111008511	385.506	FQZJCVLJJZKALH-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-105384
O=C(c1sc(nc1C)c1ncccn1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98549587	385.506	RKOPMXMJKLNVDT-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-105385
O=C(CSc1nnc2n1CCCCC2)Nc1nc(c2ccccc2)cs1	CoCoCo_3081414,MCULE-8434870873,EMOLS-id_3698239,ZINC22_12567614,PC-id_16357085	385.506	RIYVPFOHRTVFGE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105386
s1c2CCCCCc2nc1NC(=O)c1ccc(cc1)CSc1[nH]ncn1	PC-id_24611870	385.506	WTAGZPPYYMIMFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105387
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCc2n(C1)ncn2	PC-id_112080233	385.51	SLDYGBKYACVJMX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105388
CN=C(N1CCC(CC1)c1[nH]ncn1)NCCCc1nnc2n1CCCCC2	PC-id_112086905	385.51	KOQVPMJQSLATSW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-105389
CN=C(NC1CCc2n(C1)nc(n2)C)NCCCc1nnc2n1CCCCC2	PC-id_112079605	385.51	CCKJKIUCEWVJJC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105390
CN=C(NC1CCCn2c1nc(n2)C)NCCCc1nnc2n1CCCCC2	PC-id_112086617	385.51	QDCDBQCNVCJTHK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105391
c1(c2CCCCCc2sc1NC(=O)c1ccc(c(C)c1)C)C(=O)OC(C)C	CoCoCo_6787480,MCULE-9600369699,EMOLS-id_4063382,SPECS-id_AK-968/15252730,TIMTEC601435,PC-id_3626828,ZINC22_4614337	385.52	ZQTJERUPPDEPCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105392
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCCCC2)c1C(=O)OC	SPECS-id_AK-968/12116546,TIMTEC343641,PC-id_5108750,ZINC22_2740816,MCULE-5232121199,EMOLS-id_4063406,CoCoCo_5817332	385.52	NVAFGZWHJVYRDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105393
c1(NC(=O)c2ccccc2)sc2c(CCCCCCCCCC2)c1C(=O)O	CoCoCo_6876954,SPECS-id_AE-848/13422052,PC-id_1724406,EMOLS-id_8203960,MCULE-2369143659,ZINC22_2060392	385.52	SBJSAQYHHVYFOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105394
c1(NC(=O)c2ccc(c(C)c2)C)sc2c(CCCCCC2)c1C(=O)OCC	ZINC22_2752634,SPECS-id_AK-968/15252909,EMOLS-id_4063380,MCULE-7367363663,TIMTEC465829,CoCoCo_5824059,PC-id_4066379	385.52	TVFCRICGZAYRIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105395
c1(NC(=O)c2cc(C)cc(C)c2)sc2c(CCCCCC2)c1C(=O)OCC	SPECS-id_AK-968/40728932,TIMTEC582019,MCULE-2798335267,ZINC22_2103167,PC-id_1758377,CoCoCo_5831594,EMOLS-id_4063390	385.52	YUZCAUMPNQQUMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105396
c1(NC(=O)CCc2ccccc2)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-2720778339,PC-id_1221243,EMOLS-id_4063392,CoCoCo_5817177,SPECS-id_AK-968/12117312,ZINC22_996537,TIMTEC113184	385.52	CXXIHSFNYGVYSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105397
Cc1ccc(cc1)C(=O)c1c(NC(=O)OC(C)(C)C)sc2CCCCCc12	EMOLS-id_331249005	385.52	FEEDDYQHWXLHMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105398
Cc1ccc(c(c1)OCC1CCCO1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_71887021,MCULE-7830251935,EMOLS-id_44546590	385.52	UCGUVWMPOUFIPQ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-105399
Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)c(OC[C@H]2CCCO2)c1	PC-id_95161825,ZINC22_65717093	385.52	UCGUVWMPOUFIPQ-QGZVFWFLSA-N	00000010100000110100000000000010000000000000000000000000	31-01-105400
Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)c(OC[C@@H]2CCCO2)c1	ZINC22_84146295,PC-id_97005534	385.52	UCGUVWMPOUFIPQ-KRWDZBQOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-105401
CCc1ccc(cc1)C(NC(=O)COC(=O)c1cc2c(s1)CCCCC2)C	MCULE-8428179455,EMOLS-id_43703877,PC-id_42899182	385.52	IYHKWKXYNYXLAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105402
CCc1ccc([C@@H](C)NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1	CoCoCo_2861284,PC-id_25691762,ZINC22_13056893	385.52	IYHKWKXYNYXLAP-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105403
CCc1ccc([C@H](C)NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1	CoCoCo_2861285,ZINC22_13056895,PC-id_25691763	385.52	IYHKWKXYNYXLAP-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105404
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(cc(cc1C)C)C)C	PC-id_16509445	385.52	TZZIQDITBCCGFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105405
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(CC)cccc1CC	PC-id_7352108	385.52	OLLAWKCODACXQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105406
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(C(C)C)cccc1C	PC-id_7352130	385.52	VPRUKHIQOIFSJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105407
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_7352091	385.52	FRLSRBSIHNQQGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105408
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(C(CC)C)cc1	PC-id_78474836	385.52	XYDLTJBFVBYWEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105409
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc([C@@H](CC)C)cc1	PC-id_7352121	385.52	XYDLTJBFVBYWEA-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105410
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc([C@H](CC)C)cc1	PC-id_7352122	385.52	XYDLTJBFVBYWEA-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105411
s1c2CCCCCc2cc1C(=O)OCC(=O)N(Cc1c(cc(cc1)C)C)C	PC-id_7626778	385.52	WGEVNORUYPWAAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105412
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(c1cc(c(cc1)C)C)C	PC-id_78474817	385.52	ZINMYTRRQCDOCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105413
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(CCc1ccccc1)C	PC-id_16509460	385.52	GASJTYGKQRWGHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105414
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@@H](c1cc(c(cc1)C)C)C	PC-id_7351928	385.52	ZINMYTRRQCDOCQ-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105415
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@H](c1cc(c(cc1)C)C)C	PC-id_7351929	385.52	ZINMYTRRQCDOCQ-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105416
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@H](CCc1ccccc1)C	PC-id_7352101	385.52	GASJTYGKQRWGHP-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105417
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@@H](CCc1ccccc1)C	PC-id_7352102	385.52	GASJTYGKQRWGHP-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105418
s1c2c(CCCCC2)c(c1NC(=O)c1cc(c(cc1)C)C)C(=O)OCCC	PC-id_4362919	385.52	BFKDYENBKGTIHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105419
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(C(C)C)cc1)C(=O)OCC	PC-id_3615591	385.52	NBBQELHUZMFWFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105420
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(cc(cc1C)C)C)C(=O)OC	PC-id_25906610	385.52	DERRVYALCALHAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105421
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(ccc(c1)C)C)C(=O)OCC	PC-id_41618451	385.52	SCHHINCLSACUAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105422
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(cc1)CC)C(=O)OCC	PC-id_41618706	385.52	FJZYDKCHRUKKFM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105423
s1c2c(CCCCC2)c(c1NC(=O)Cc1cc(c(cc1)C)C)C(=O)OCC	PC-id_41619640	385.52	SGFHUIMFAARCGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105424
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(cc(cc1)C)C)C(=O)OCC	PC-id_7596934	385.52	JJVYXYMOQMNZPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105425
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(C(C)C)cc1)C(=O)OC	PC-id_41362477	385.52	NISNHOHIGVRTFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105426
s1c2c(CCCCC2)c(c1NC(=O)CCc1ccccc1)C(=O)OCCC	PC-id_3318179	385.52	NNFHZPSUUUCLEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105427
s1c2c(CCCCC2)c(c1NC(=O)CCc1ccccc1)C(=O)OC(C)C	PC-id_4054799	385.52	QFBWVQIYKDNJBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105428
s1c2c(CCCCC2)c(c1NC(=O)C(CC)c1ccccc1)C(=O)OCC	PC-id_4101898	385.52	RPNBKLYSSLOXFF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105429
s1c2CCCCCCc2cc1C(=O)OC(C(=O)Nc1c(cccc1C)C)C	PC-id_18281630	385.52	POPXPSRZXZWCFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105430
s1c2c(CCCCCC2)c(c1NC(=O)c1ccc(C(C)C)cc1)C(=O)OC	PC-id_3538781	385.52	VCCBSRNATPPBOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105431
s1c2c(CCCCCC2)c(c1NC(=O)C(CC)c1ccccc1)C(=O)OC	PC-id_4677775	385.52	GVWRZCVNZFHZGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105432
s1c(C(=O)N2C(CCC2)c2cc(OC)c(OC)cc2)cc2CCCCCc12	PC-id_18266961	385.52	VAALEUCGHXZFTB-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-105433
c1(NC(=O)CCCCCNC(=O)c2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_334604923,MCULE-5871453044	385.523	RBMFNNXBPLWOJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105434
c1(NC(=O)CCC(=O)Nc2ccc(cc2)C(C)C)sc2c(CCCCC2)n1	MCULE-6540236726,EMOLS-id_334986105	385.523	WPCDGGFJISGAIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105435
c1(NC(=O)CCC(=O)NCCc2ccc(C)cc2)sc2c(CCCCC2)n1	EMOLS-id_335007602,MCULE-1047752903	385.523	MBBOGIKGFQJDNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105436
c1(NC(=O)CCC(=O)NCCCc2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_334993535,MCULE-5991411593	385.523	FBKBVWRSDVKPPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105437
c1(NC(=O)CNC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCCCC2)n1	EMOLS-id_334605425,MCULE-9766368439	385.523	LORKHHUPRUAYPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105438
Cc1c(cccc1NC(=O)c1noc2c1CCCCC2)CN1CCSCC1	EMOLS-id_100925142	385.523	KDJYRODUZOWKNI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105439
Cc1ccc(cc1NC(=O)c1noc2c1CCCCC2)CN1CCSCC1	EMOLS-id_100979914	385.523	YLNPPKHBQPKEOC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105440
Cc1cc(ccc1NC(=O)c1noc2c1CCCCC2)CN1CCSCC1	EMOLS-id_99851345	385.523	DHAKUUPFBWWHKJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105441
CCOc1ccc(cc1)C1CCCN1C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825146	385.523	NBBFZKAMLYPKGE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-105442
Cn1ncc(c1)C(=O)CC1CCCN1C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_101245194	385.523	GHCZITZTQCWFPY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-105443
COc1ccccc1N1CCN(CC1)CCN1CCCc2c(C1=O)ccs2	SCHEMBL9039237,PC-id_19881103	385.523	FSAJMBQMTQYYPO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105444
COc1ccccc1N1CCN(CC1)CCN1C(=O)CCCc2c1ccs2	PC-id_19881089,SCHEMBL9039558	385.523	RIZMVBCYQHSCHH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105445
COc1cccc(CN2CCc3nc(C(=O)N4CCCCC4)sc3CC2)c1	PC-id_97442532,ZINC22_96147008,EMOLS-id_44303984	385.523	OAUJWFPBXZMYDN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105446
N#Cc1c(NC(=O)C2CCCN(C2)C(=O)C2CC2)sc2c1CCCCCC2	EMOLS-id_110940202	385.523	ZMSCBMYAWOXVTR-UHFFFAOYSA-N	00100000100010000100000000000010000000000000000000000000	31-01-105447
OC1CCN(CC1)C(c1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98637405	385.523	AUGVAILWMGPTNT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105448
O=C(c1ccccc1CN1CCOCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99575719	385.523	VRIHDXFMYSKFRJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105449
OCC1(CCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2)c1ccccc1	EMOLS-id_99761042	385.523	YPAUWVPCYQCJSY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-105450
O=C(c1noc2c1CCCCC2)Nc1ccc(cc1)CCN1CCSCC1	EMOLS-id_100094430	385.523	KSCRPXGLZVZKEC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105451
O=C(c1sc2c(c1)CCCCCC2)NCc1cccnc1N1CCOCC1	EMOLS-id_98374364	385.523	JGUMTXYTMCPPLU-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-105452
O=C(c1sc2c(c1)CCCCCC2)NCc1ccc(nc1)N1CCOCC1	EMOLS-id_98383992	385.523	CUHLFFONSMXLDO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-105453
O=C(N1CCC(C1)COCc1ccccc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_100223254	385.523	ZOYLUNINTBCFLJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105454
O=C(N1CCCc2c(C1)ccs2)NCc1ccccc1CN1CCOCC1	EMOLS-id_318162355	385.523	GEAOYFGFXFNULW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105455
O=C(Nc1nc2c(s1)CCCCC2)NCC1(CCOCC1)c1ccccc1	PC-id_112825064	385.523	IIWPJVWGNQXKCC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105456
O=C(NCc1ccnc(N2CCOCC2)c1)c1cc2c(s1)CCCCCC2	MCULE-5746381113,ZINC22_25289679,PC-id_32584479,EMOLS-id_44085036,CoCoCo_4784600	385.523	YLTDSITYZKELNP-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-105457
s1c2CCCCCc2cc1C(=O)NCc1ccc(N2C[C@H](OCC2)C)nc1	PC-id_52242842	385.523	HETZJAREAFQRLF-OAHLLOKOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-105458
s1c2CCCCCc2cc1C(=O)NCc1ccc(N2C[C@@H](OCC2)C)nc1	PC-id_52242844	385.523	HETZJAREAFQRLF-HNNXBMFYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-105459
s1c2CCCCCc2cc1C(=O)NCc1ccc(N2CC(OCC2)C)nc1	PC-id_75811743	385.523	HETZJAREAFQRLF-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-105460
s1c2CCCCCc2cc1C(=O)NCc1ccc(NC(=O)NC(C)C)cc1	PC-id_52590450	385.523	WYRWSAHRQUPJNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105461
s1c2CCCCCc2cc1C(=O)NCc1cc(NC(=O)CN(C)C)ccc1	PC-id_55800021	385.523	YNHWEKAFNAZQLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105462
s1c2CCCCCc2c(c1NC(=O)CN(C(C)C)Cc1oc(cc1)C)C#N	PC-id_55819068	385.523	JPPHZEJYSGQGMO-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-105463
s1c2CCCCCc2nc1NC(=O)C(NC(=O)c1cc(ccc1)C)C(C)C	PC-id_24603971	385.523	WNUWINHQIYKGCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105464
s1c2CCCCCc2nc1NC(=O)C(NC(=O)Cc1ccccc1)C(C)C	PC-id_24611770	385.523	SLDFPEXHVDYFGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105465
s1c2CCCCCCc2cc1C(=O)Nc1c(NC(=O)NC(C)C)cccc1	PC-id_52620063	385.523	NFQWOIRUJBEQOK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105466
s1c2CCCCCCc2nc1NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1	PC-id_56128958	385.523	CHSHINRSGQKTAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105467
s1c2CCCCCCc2nc1NC(=O)c1cc(CN2CCOCC2)ccc1	PC-id_56472180	385.523	HXLDWXCZIZUEFJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105468
NS(=O)(=O)c1ccc(CC(=O)NCc2nc3c(s2)CCCCC3)s1	ZINC22_1875331767	385.525	BVGWWBPXCVDXFM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-105469
O=C(Nc1sc2c(n1)CCCCCC2)CNS(=O)(=O)c1cccs1	EMOLS-id_98559436	385.525	JJLGMYKGVOWBBX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-105470
s1c(/N=N/c2c3-c(cc(C(C)C)ccc3C)c(c2)C)nc(c2ccccc2)c1	PC-id_12104381	385.525	MFJZQMCPEUQABU-CYYJNZCTSA-N	00000010100000110111100000000010000000000000000000000000	31-01-105471
c12CN(CCCn1nc(CN1CCc3c(ccs3)C1)c2)C(=O)N1CCCC1	ZINC22_72480753,EMOLS-id_43179265,MCULE-6828232064,PC-id_56916733	385.526	PIRWSKPSDGONLN-UHFFFAOYSA-N	00000010100010000101000000010010000000000000000000000000	31-01-105472
O=C(c1cc2c(s1)CCCCC2)NCCN1CCN(CC1)c1ncccn1	EMOLS-id_98186796	385.526	WTLXERLGODONCA-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-105473
O=C(c1ccc(c(c1)NCc1nnc2n1CCCCC2)C)N1CCSCC1	EMOLS-id_100832874	385.526	RTHYYOCQFWRYQH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105474
O=C(CSc1nnc2n1CCCCC2)N1CCN(Cc2ccccc2)CC1	MCULE-2107624431,ZINC22_23718326,EMOLS-id_45708100,PC-id_7877601	385.526	RUCJXKQZEPDKMY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105475
O=C(CSc1nnc2n1CCCCC2)Nc1ccc(N2CCCCC2)cc1	ZINC22_3385185,CoCoCo_3082115,EMOLS-id_3296695,PC-id_2503427,MCULE-2781565284	385.526	CCKDZUNCEPUIJC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105476
O=C(N1CCN(CC1)Cc1ccccn1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101100926	385.526	QKOSCHGABCTDLV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-105477
O=C(N1CCN(CC1)Cc1cccnc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101066482	385.526	WDAHTGKGJCWERS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-105478
O=C(N1CCN(CC1)Cc1ccncc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101069221	385.526	QBSMHIUOLUILEX-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-105479
O=C(Nc1nc2c(s1)CCCCC2)NCC1CCN(CC1)c1ccncc1	EMOLS-id_98691848	385.526	ZUZLKCKGYIGQOO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-105480
s1c2CCCCCc2c(c1NC(=O)CN(Cc1c(n(nc1)CC)C)C)C#N	PC-id_22194119	385.526	CXZKBUHIAHLKFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105481
s1c2CCCCCc2c(c1NC(=O)CN(Cc1c(n(nc1C)C)C)C)C#N	PC-id_22196535	385.526	JURIVWKRSMVCFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105482
s1c2CCCCCCc2cc1C(=O)NCCCCCc1[nH]nc(N)c1C#N	PC-id_8929458	385.526	ARUVEYCZJDZGHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105483
s1c2CCCCCCc2c(c1NC(=O)CN(Cc1cn(nc1)CC)C)C#N	PC-id_22194233	385.526	WAGAEYNCNSBUTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105484
s1c2CCCCCCc2c(c1NC(=O)CN(Cc1c(nn(c1)C)C)C)C#N	PC-id_22196242	385.526	ILLFYDUIEDZSKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105485
s1c2CCCCCCc2c(c1NC(=O)CN(Cc1c(n(nc1)C)C)C)C#N	PC-id_22196390	385.526	BXXZFVQTFYKUNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105486
s1c2CCCN(CCCCN3CCN(CC3)c3ncccn3)C(=O)c2cc1	PC-id_19881052	385.526	WWTPNWHCKFIJEK-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-105487
s1c2CCCN(CCCN3CCN(CC3)c3ncccn3)C(=O)c2cc1C	PC-id_19881113	385.526	URLBVYIAVIAARV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-105488
s1c2c(N(CCCCN3CCN(CC3)c3ncccn3)C(=O)CCC2)cc1	PC-id_19881126	385.526	ZKGRLUDSDJISTN-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-105489
s1c2C(=O)N(CCCCN3CCN(CC3)c3ncccn3)CCCc2cc1	PC-id_19881160	385.526	GLTLIVYOAXURJK-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-105490
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(CN2CCCC2)cc1	PC-id_8379570	385.526	WSGCZBHNZCAATR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105491
O=C1C=CC(=C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)C=C1	PC-id_10667883	386.484	HDFAQXNKABLHOE-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-105908
S=c1n2CCCCCc2nn1CN1CCN(CC1)c1ccc(cc1)C(=O)C	PC-id_8206873	385.526	QZJZPVAOKVBLIE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105492
S=c1n(nc2n1CCCCC2)CN1CCC(CC1)C(=O)Nc1ccccc1	PC-id_9325753	385.526	RQVOQADUWWMOLN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105493
S(c1n2CCCCCc2nn1)CC(=O)NCCN1C(=O)CSC1=S	PC-id_7877614	385.528	SZVFOIDVADPMGG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-105494
COCCN(C(=O)c1cc2c(s1)CCCCCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_70719517,PC-id_95375096	385.541	AIKANDCGGQYPRD-OAHLLOKOSA-N	00000010100000000100000000000010000000000000000000000000	31-01-105495
COCCN(C(=O)c1cc2c(s1)CCCCCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_70719518,PC-id_95375097	385.541	AIKANDCGGQYPRD-HNNXBMFYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-105496
COCCN(C(=O)c1sc2c(c1)CCCCCC2)C1CCS(=O)(=O)C1	PC-id_60307564,EMOLS-id_48208151,MCULE-9249900521	385.541	AIKANDCGGQYPRD-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-105497
N#CCCCOc1cc(C[NH2+]Cc2cc3c(s2)CCCCC3)ccc1OC	GD-id_ZINC51188888	385.543	KDSJXMPBWMNHDN-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-105498
s1c2CCCCCc2cc1C(=O)NCc1c(C[NH+]2CCOCC2)cccc1	PC-id_9323750	385.543	PAHHTXGUPGJHRO-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-105499
s1c(C(=O)N2CC[NH+](CC2)Cc2ccc(OC)cc2)cc2c1CCCCC2	PC-id_8200714	385.543	RQKZBVGKQUVMJK-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-105500
CCNC(=C)/C=C/c1ccc(cc1)CNCCc1c(C)[nH]c2=CC#CC(C=c12)C	PC-id_142437380	385.544	JDJJOWMLMXEKBZ-MDZDMXLPSA-N	00000000100000110110000000000010000000000000000000000000	31-01-105501
CCC1CN(CC(S1(=O)=O)C)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98978440	385.545	XWFZLFSAOMXNHH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105502
CCCCS(=O)(=O)N1CCCC1C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112832595	385.545	FUWTXUKOVHSHSG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-105503
CCS(=O)(=O)C1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098661	385.545	KRFZOFXLMJFCQP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105504
CCS(=O)(=O)N1CCCC(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110644830	385.545	URFCUAGBDSUQTA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105505
CCS(=O)(=O)N1CCC(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110651157	385.545	UDTQFYSNECQWNK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105506
O=C(c1sc2c(c1)CCCCCC2)N1CCCC(C1)CNS(=O)(=O)N	EMOLS-id_111108089	385.545	CDWMZQCJHWNVFE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-105507
O=C(N1CCCCC1CS(=O)(=O)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101432052	385.545	JXCOAAPHJPCJEU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105508
O=C(N1CCCC(C1)CS(=O)(=O)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101432127	385.545	CTAIQJZEFUZWPP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105509
O=C(N1CCC(CC1)CS(=O)(=O)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101432139	385.545	IIXUQMNINREKKQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105510
O=C(N1CCCCC(C1)S(=O)(=O)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103680	385.545	ZCIBSYAMTZHTGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105511
O=C(Nc1sc2c(n1)CCCCCC2)NCC1(CCCC1)S(=O)(=O)C	EMOLS-id_98979925	385.545	SMXVHEXSQLFEMW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-105512
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2CCCCCCc2n1)CCC	PC-id_56060784	385.545	JMHZUPOADPCYLN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-105513
CC(C)C(=O)NCCc1nnc2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CCn12	EMOLS-id_25989227,CoCoCo_1142170,MCULE-7876688610,ZINC22_12055579,PC-id_42382069,CoCoCo_1142169	385.546	ZJBPZXBMOOPLHE-ROUUACIJSA-N	00001000100011000101001000000010000000000000000000000000	31-01-105514
O=C(C(C)C)NCCc1nnc2n1CCN(CC2)CC1=CC[C@@H]2C[C@H]1C2(C)C	CoCoCo_1142168,CoCoCo_1142167	385.546	ZJBPZXBMOOPLHE-QZTJIDSGSA-N	00001000100011000101001000000010000000000000000000000000	31-01-105515
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)C1C(C1C=C(C)C)(C)C	PC-id_51331946	385.546	UYTJDDAHBNMVAZ-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-105516
O=C(NCCc1n2CCN(CC3=CCC4C(C3C4)(C)C)CCc2nn1)C(C)C	PC-id_74793743	385.546	ZJBPZXBMOOPLHE-UHFFFAOYSA-N	00001000100011000101001000000010000000000000000000000000	31-01-105517
s1c2CCCCCc2c(c1NC(=O)CCN1CCc2sccc2C1)C#N	PC-id_51476406	385.546	NGAKDOVPESBUKA-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-105518
s1c2CCCCCc2nc1NC(=O)CN1CC[NH+](CC1)Cc1ccccc1	PC-id_51649807	385.546	ZSPYVBOLFVIMFI-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-105519
s1c2c(C(N(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)C)cc1	PC-id_55412626	385.546	YQKICKFKVBRRKT-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-105520
Cc1ccc(Nc2nc(CSc3nnc4n3CCCCC4)cs2)cc1C	ZINC22_9113702,EMOLS-id_11953456,MCULE-4797017113,CoCoCo_3081346,PC-id_17552284	385.549	BRMUPFDXFUNIFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105521
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)N1CC=CC1	PC-id_112082779	385.549	RZLIQZAOQUZOQK-UHFFFAOYSA-N	00000011100000000101100000000010000000000000000000000000	31-01-105522
C/C=Cc1c(C=C)sc(C=C)c(n2c(c1=C)c(C=C)c(c2C=C)/C=CC)C=C	PC-id_145314217	385.564	DPJAIUAZQDSABY-XIKGOHBZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-105523
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1ccc(cc1)C	PC-id_30376779	385.566	GVUWVZSFONUSEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105524
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1cc(ccc1)C	PC-id_30376785	385.566	MKOQFKGBQGBVJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105525
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1c(cccc1)C	PC-id_30376791	385.566	SAVYEPRKHYEECI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105526
s1c2CCCCCCCCCCc2nc1NC(=O)CN(c1ccccc1)C	PC-id_30376799	385.566	LXYRLPIKTPIATC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105527
s1c2CCCCCCCCCCc2nc1NC(=O)CNCc1ccccc1	PC-id_30376805	385.566	LBEQEQFPQOFOCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105528
S=c1n2CCCCCc2nn1CN(Cc1ccc(N2CCCCC2)cc1)C	PC-id_8413020	385.569	XETFRSUYVJLLOQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105529
S=c1n2CCCCCc2nn1CN(Cc1c(N2CCCCC2)cccc1)C	PC-id_8413631	385.569	NFBYFJWXZMOFOK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105530
C[Si](C(CCCOCCOCCn1cc2c(c1)OCCCO2)(C)C)(O)C	SCHEMBL2722048,PC-id_67512908	385.57	MPRHSHNXSAFRSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105531
[Si](OCCOCCOCCn1cc2OCCCOc2c1)(C(C)(C)C)(C)C	PC-id_11003558	385.57	OJJRYVJFLDJQRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105532
S1CC(=NNC(=S)Nc2ccccc2)CSc2sc(=O)sc12	CK1982926,PC-id_6618640	385.571	RNUOOOFHJOPQDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105533
CC([N@H+](Cc1ccccc1)CCCNC(=O)c1csc2c1CCCCC2)C	GD-id_ZINC05070478	385.586	BIQATGLYDPNZQJ-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-105534
Brc1ccc2-c(c(c(Cl)c2C(=O)OCC)C(=O)OCC)cc1	PC-id_21063112	385.637	LZLPLYCASGYXML-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-105535
Clc1cc(NC(=O)C2CCn3c(CC2)nnc3)c(c(c1)Br)O	MCULE-1265024058,EMOLS-id_319884530	385.644	NJPSLWXTPKEMCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105536
O=C(Nc1cccc(c1Br)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_101999898	385.647	HEGBSBOEBSDDRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105537
O=C(Nc1ccc(c(c1)Br)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102001722	385.647	VRMQTLKPASBGHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105538
O=C(Nc1ccc(cc1Br)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102005304	385.647	JCRPVFJOMOEHQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105539
O=C(Nc1ccc(c(c1)Cl)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102006924	385.647	IBZKGHLDUMSENW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105540
O=C(Nc1ccc(cc1Cl)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102027490	385.647	OTWFMTWWVUYTQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105541
O=C(Nc1cc(Cl)cc(c1)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102026017	385.647	BJHDEZJXCHVNLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105542
CCOC(=O)N1CCc2c(CC1)c(c(s2)I)Cl	PC-id_68469191,SCHEMBL2992491	385.649	PLILSSWOJCHAAN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-105543
Brc1cnc(c(c1)NC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_108197453	385.706	HYIAJUJDJOWQGF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-105544
O=C(c1cc2c(s1)CCCCC2)Nc1cnc(c(c1)Br)Cl	PC-id_108186300	385.706	DLTXJCFWIGJYSC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-105545
O=C(Nc1nc2c(s1)CCCCC2)c1cc(Br)ccc1Cl	CoCoCo_4546069,MCULE-3369956990,EMOLS-id_16730030,ZINC22_12920856,PC-id_17518598,GD-id_ZINC12920856	385.706	WPIFMNJZRCDVEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105546
Brc1ccc(c(c1)Cl)CC(c1cc2c(s1)CCCCC2)O	PC-id_115833893	385.746	PEWXDBYFTIVGDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105547
Brc1cc(C(Cl)c2sc3CCCCCc3c2)ccc1OC	PC-id_63427519	385.746	VVYSYFYBAZQGPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105548
Brc1cc(C(Cl)c2sc3c(CCCCC3)c2)c(OC)cc1	PC-id_63427487	385.746	NJLSKHBXJYKORS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105549
Brc1c(C(Cl)c2sc3c(CCCCC3)c2)ccc(OC)c1	PC-id_63434872	385.746	HOSRGDXHJRSIPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105550
BrC(c1sc2CCCCCc2c1)c1cc(Cl)c(OC)cc1	PC-id_63439276	385.746	DOIQVILXBGAOCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105551
BrC(c1sc2c(CCCCC2)c1)c1c(Cl)cc(OC)cc1	PC-id_63443070	385.746	MGZUNLIGBSKZQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105552
COc1ccc(cc1C(c1cc2c(s1)CCCCC2)Br)Cl	PC-id_104546574	385.746	VUSCHNVVUUFURI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105553
COc1nc(OCC(F)(F)F)ccc1Cn1nc2c(c1)C(=CCC=C2)Cl	SCHEMBL19673375	385.768	VQZKCUZFWPRJLI-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-105554
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Clc1c(c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)ccc1)C	PC-id_19527289	385.811	AAASKVHMCAFUFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105556
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(Cl)cc1F	EMOLS-id_33087362,PC-id_53182946,MCULE-6050458878	385.841	INDWIGACNYORHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105557
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O=C(c1ccc(o1)c1ccccc1Cl)N1CCCn2c(C1)cc(n2)[C@H](O)C	PC-id_100002810	385.844	LGALFAYSCAJSGI-CYBMUJFWSA-N	00000000101000110101100000000010000000000000000000000000	31-01-105562
O=C(c1ccc(o1)c1ccccc1Cl)N1CCCn2c(C1)cc(n2)[C@@H](O)C	PC-id_100002815	385.844	LGALFAYSCAJSGI-ZDUSSCGKSA-N	00000000101000110101100000000010000000000000000000000000	31-01-105563
c1(C(=O)NCc2noc(c3ccc(cc3)Cl)n2)c2CCCCCCc2[nH]n1	PC-id_46968561,CoCoCo_491764,CoCoCo_491763,ZINC22_19336946,EMOLS-id_30434163,SYN-19995345,MCULE-7426356221	385.847	NKZDXKPBPQWHJB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105564
Cc1nc(c2cccc(Cl)c2)[nH]c1C(=O)N1Cc2nccn2C[C@@H](CO)C1	ZINC22_2325803340	385.847	BEXDKKHGHSGFPP-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105565
Cc1nc(c2cccc(Cl)c2)[nH]c1C(=O)N1Cc2nccn2C[C@H](CO)C1	ZINC22_2325803341	385.847	BEXDKKHGHSGFPP-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105566
Cc1onc(c2ccc(Cl)cc2)c1C(=O)NCc1nnc2n1CCCCC2	ZINC22_19718267,PC-id_46975673,CoCoCo_503733,SYN-22867698	385.847	LQXMDIMGONEXNR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105567
Clc1ccc2c(c1)CCC12NC(=O)N(C1=O)Cc1nnc2n1CCCCC2	EMOLS-id_100809929,MCULE-5046307301	385.847	GHIXDSFEAFKUAJ-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-105568
Clc1cccc(c1)n1nc(c(n1)C)C(=O)NCc1nnc2n1CCCCC2	PC-id_86912072	385.851	LAVIQHXNDXZFAS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105569
Clc1ccc(n2nc(nc2C)C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24646598	385.851	NOHTZQCOLNWNCK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105570
OCC(O)c1cc2CN(CCCn2n1)S(=O)(=O)Cc1ccc(Cl)cc1	MCULE-6358402877,PC-id_91790984,EMOLS-id_55691741	385.866	GVWRJIXIXZCIIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105571
O=S(=O)(Cc1ccc(Cl)cc1)N1CCCn2nc([C@@H](O)CO)cc2C1	ZINC22_223227515,PC-id_100214098	385.866	GVWRJIXIXZCIIU-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105572
O=S(=O)(Cc1ccc(Cl)cc1)N1CCCn2nc([C@H](O)CO)cc2C1	ZINC22_230553249	385.866	GVWRJIXIXZCIIU-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105573
Clc1c(sc2c1cccc2)NC(=O)C(c1n2CCCCCc2nn1)C#N	EMOLS-id_48308640,PC-id_75397466,MCULE-2973246542	385.871	ZZPFLFOALGXKGW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105574
COc1cc(ccc1n1cnc(c1)Cl)Nc1[nH][n+]2c(n1)C(C)(C)CC=CC2	PC-id_144028651	385.871	VFUQZEAGBSDTIQ-UHFFFAOYSA-O	00000000100000110111100000000010000000000000000000000000	31-01-105575
N#C[C@@H](C(=O)Nc1sc2ccccc2c1Cl)c1nnc2n1CCCCC2	PC-id_97253750,ZINC22_95455106	385.871	ZZPFLFOALGXKGW-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105576
N#C[C@H](C(=O)Nc1sc2ccccc2c1Cl)c1nnc2n1CCCCC2	ZINC22_95455105,PC-id_97253749	385.871	ZZPFLFOALGXKGW-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105577
COCC1(COC2=C(SC(=C2OC1)Br)Br)CO	PC-id_162052223	385.882	UWGHLWHDGILORT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105578
CN(Cc1n[nH]c2c1CCCCC2)S(=O)(=O)Cc1ccc(Cl)cc1F	MCULE-5563879905,ZINC22_1506409873,EMOLS-id_316222015	385.884	AMEBHKLENKEHHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105579
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)oc2c(cc(cc2Cl)C)c1C	ZINC22_11935187,EMOLS-id_20447179,MCULE-6086662692,CoCoCo_1196401,PC-id_42288938,CoCoCo_1196400	385.887	WICAJHHDIPBOEA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105580
ClC1=CC=C(CC=C1)C(n1c(CN2CCCC2)nc2c1CC=CC=C2)(O)O	PC-id_144092277	385.887	CEZZOARFLWLBIG-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-105581
CCC1=CCc2c(C=C1)n(c(n2)C#Cc1ccc(cn1)c1ccc(cc1)Cl)C	PC-id_142889935	385.889	LZHITUXTBIXKAC-UHFFFAOYSA-N	00000000100000111111100000000010000000000000000000000000	31-01-105582
Clc1ncccc1S(=O)(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_24621388	385.889	IUIDPWGHASNROW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-105583
Cc1oc(c2ccccc2Cl)nc1CN1CCc2nnc(C(C)C)n2CC1	PC-id_70747761,EMOLS-id_43131043,MCULE-9257329060,ZINC22_72432863	385.89	FXBSGDXKYHKDJP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105584
Clc1ccc(cc1)n1nc(c(c1C)C[NH2+]Cc1nnc2n1CCCCC2)C	GD-id_ZINC48682973	385.914	PJLKIDWTBHRUQN-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-105585
Clc1ccc(C2CCN(CC2)C(=O)CCc2n3CCCCCc3nc2)cc1	PC-id_17773096,SCHEMBL7963436	385.93	HYLVNFUEZNYQCI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105586
ClCC(=O)Nc1sc2c(CCCCCCCCCC2)c1C(=O)OCC	PC-id_4863748	385.949	VQKKZMXGNXUPMN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-105587
BrC(Br)C(=O)c1c2-c(c(c1)C(=O)OC)ccccc2	PC-id_10949043	386.035	ZFDJBWVEJCHXCN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-105588
CN([C@H]1CCC2=NNC(=O)N2CC1)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC	PC-id_164637683	386.082	QQHVZAQMSAZWGO-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-105589
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=C[C@H](NS2(=O)=O)C=C	PC-id_155062042	386.085	RAKRBKKCFRJDQM-GFCCVEGCSA-N	00000000100000110111000000000010000000000000000000000000	31-01-105590
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=C[C@@H](NS2(=O)=O)C=C	PC-id_155062043	386.085	RAKRBKKCFRJDQM-LBPRGKRZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-105591
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=CC(NS2(=O)=O)C=C	PC-id_154682174	386.085	RAKRBKKCFRJDQM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-105592
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)C=C)C#N	PC-id_161627996	386.105	XUKQSRZCRKDDNB-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105593
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)C=C)C#N	PC-id_162115090	386.105	XUKQSRZCRKDDNB-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105594
CC1(CCC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_154682300	386.121	MPIUOVQQFSARBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105595
O=C(c1cn[nH]c1I)NCc1nnc2n1CCCCC2	EMOLS-id_278262537	386.192	QDCDJLMMJIYJAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105596
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)C(=O)N(C)OC)C2)C	PC-id_160850932	386.195	FFQZORNPEVYPHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105597
CCC1=C2C=CC(=CC=C2C(=C1N)CC)C(C(=O)NOC)OC(=O)C(C)(C)C	PC-id_154450148	386.221	ISUXNQZBZYRKMD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-105598
O=Cc1cc(c2-c1ccc(cc2)CCc1ccccc1)I	PC-id_122403811	386.226	WBUWAMCIGKAYMU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-105599
Brc1c2CCN(CCc2sc1CC(F)(F)F)C(=O)OCC	SCHEMBL1180562,PC-id_66933877	386.228	RDCCNTTZYCTQSP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-105600
Ic1oc(CNC(c2n3CCCCCc3nn2)C)cc1	PC-id_43791287	386.231	LYDKMRLRDKDPOG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-105601
BrC1CCCc2n(cc(c2C1=O)C(=O)OC)C(=O)OC(C)(C)C	SCHEMBL6302636,PC-id_20872400	386.238	KVPXKZYIJJTJIQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-105602
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)COc1c(cc(cc1)Cl)Cl	PC-id_90625377	386.253	OJKXGVGEFLUSRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105603
Ic1cc(N)c(Sc2n3CCCCCc3nn2)cc1	PC-id_66079988	386.254	BWMPEBAPYMBTGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105604
Ic1c(Sc2n3CCCCCc3nn2)ccc(N)c1	PC-id_66094010	386.254	VLEPTGPEFVDKNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105605
COc1ccc(cc1Br)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99300610	386.261	ZRDOQFMQIYXISG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105606
COc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cco2)Br	EMOLS-id_99307466	386.261	KCFBTCVYUCQYST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105607
Brc1cc(ccc1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026758	386.267	CWUTXQCPOBDPDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105608
Brc1cccc(c1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026764	386.267	PTUJJLZNAKVVNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105609
Brc1ccc(c(c1)C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028532	386.267	WFKAMMBARBYHOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105610
Brc1cccc(c1)CS(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_318303310	386.267	BBQYKWQAEFVVNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105611
Brc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102026581	386.267	VAUBQZJKONSBSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105612
Cc1cc(Br)cc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028547	386.267	WJZYPOPXBNRHGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105613
Cc1cc(ccc1Br)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026521	386.267	YNZXPYUVSSOAKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105614
Cc1ccc(c(c1)Br)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026620	386.267	MGXOLKSUGHWMDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105615
Cc1cccc(c1Br)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028469	386.267	GAPQKZFEDLERHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105616
Cc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)Br	EMOLS-id_102028502	386.267	COMKYWRZKPCZGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105617
COc1c(sc(c1Br)C)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158305	386.267	OWBROHMDFOHBDO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-105618
Brc1n2c(CN(CCC2)C)c(n1)C(=O)NC(CC(C)C)C(=O)N	PC-id_66931756,SCHEMBL1174185	386.287	KJGVEHLKDDSWSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105619
Brc1n2c(CN(CCC2)C)c(n1)C(=O)NC(C(C)(C)C)C(=O)N	PC-id_66931787,SCHEMBL1174294	386.287	UJLLNAYNRLZZHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105620
Brc1n2c(CN(CCC2)C)c(n1)C(=O)N[C@@H](CC(C)C)C(=O)N	PC-id_57635701,SCHEMBL1174184	386.287	KJGVEHLKDDSWSO-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-105621
Brc1n2c(CN(CCC2)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)N	SCHEMBL1174291,PC-id_57635421	386.287	UJLLNAYNRLZZHY-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105622
Brc1n2c(CNCCC2)c(n1)C(=O)NC(C(C)(C)C)C(=O)NC	SCHEMBL4128126,PC-id_68923555	386.287	OITCPNXTTMCWPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105623
Brc1n2c(CNCCC2)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	SCHEMBL4128119,PC-id_57736853	386.287	OITCPNXTTMCWPZ-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105624
O=C(N1CCC(C1)(C(F)(F)F)C(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102163396	386.296	HLMBYPFRCHZWNN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-105625
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ncc(Cl)cc1Cl	ZINC22_6097643,PC-id_7877026,CoCoCo_3081784	386.299	NWOPQXBJKLJLJW-VIFPVBQESA-N	00000000100000101101000000000010000000000000000000000000	31-01-105626
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ncc(Cl)cc1Cl	ZINC22_6097647,CoCoCo_3081785,PC-id_7877028	386.299	NWOPQXBJKLJLJW-SECBINFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105627
Clc1cnc(c(c1)Cl)NC(=O)C(Sc1nnc2n1CCCCC2)C	MCULE-4100042149,EMOLS-id_3432231,PC-id_4796329	386.299	NWOPQXBJKLJLJW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105628
Clc1c(NC(=O)CSc2n3CCCCCc3nn2)nc(c(Cl)c1)C	PC-id_7876705	386.299	ARZOKZZHTDAMHI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105629
C1C(Cn2c(cc(n2)C(=O)NCc2c(ccc(c2)C(F)(F)F)F)C(=O)N1)O	PC-id_135109395	386.301	AOJRUBKHSGNSKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105630
CC(=O)OC[C@H]1On2nnnc2[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C	CoCoCo_5742557,PC-id_385009,NSC675862	386.314	PFRTWZMTMWCXRK-FVCCEPFGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105631
CC(=O)OC[C@@H]1On2nnnc2[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C	CoCoCo_5742558	386.314	PFRTWZMTMWCXRK-QNWHQSFQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105632
CC(=O)OC[C@@H]1On2nnnc2[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C	CoCoCo_5742559	386.314	PFRTWZMTMWCXRK-ZDEQEGDKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105633
CC(=O)OC[C@@H]1On2nnnc2[C@@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C	CoCoCo_5742560	386.314	PFRTWZMTMWCXRK-UMSGYPCISA-N	00000000100000000101000000000010000000000000000000000000	31-01-105634
CC(=O)OC[C@@H]1On2nnnc2[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C	CoCoCo_5742561	386.314	PFRTWZMTMWCXRK-WUHRBBMRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105635
CC(=O)OC[C@@H]1On2nnnc2[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C	CoCoCo_5742562	386.314	PFRTWZMTMWCXRK-RNJOBUHISA-N	00000000100000000101000000000010000000000000000000000000	31-01-105636
CC(=O)OC[C@@H]1On2nnnc2[C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C	CoCoCo_5742563	386.314	PFRTWZMTMWCXRK-CYDGBPFRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105637
CC(=O)OC[C@@H]1On2nnnc2[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C	CoCoCo_5742564	386.314	PFRTWZMTMWCXRK-LOWDOPEQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105638
CC(=O)OC[C@@H]1On2nnnc2[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C	CoCoCo_5742565	386.314	PFRTWZMTMWCXRK-RVMXOQNASA-N	00000000100000000101000000000010000000000000000000000000	31-01-105639
O1n2nnnc2C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C	PC-id_495991	386.314	PFRTWZMTMWCXRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105640
Clc1ccc(cc1)C(c1nnc2n1CCCCCC2)c1ccc(cc1)Cl	PC-id_9864961,SCHEMBL4540030	386.318	ICIOJHMDPRRUPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105641
ClC1(Cl)C(C1)(C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)C	PC-id_45776186	386.319	JCSUHASBEDIWEW-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-105642
O=C(Nc1nc2c(s1)CCCCC2)NCc1scc(c1)Br	PC-id_112838293	386.33	XTTKTNCLFHUAKL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-105643
c1(NC(=O)c2c(F)c(F)c(c(F)c2F)F)sc2c(CCCCC2)c1C#N	MCULE-3997403882,EMOLS-id_4063800,GD-id_ZINC02741976,PC-id_5062694,TIMTEC226311,ZINC22_2741976,CoCoCo_5817853	386.339	IUFSKOCOEHYYQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105644
Fc1cc(F)cc(c1)C(=O)N1CCc2nnc(COc3cncnc3)n2CC1	PC-id_97405424,EMOLS-id_46182207,ZINC22_96084601	386.355	DJRDOOWANMEDBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105645
N=CC1=c2ccn(c2=CCC=C1)CC(=NC(=O)c1ccc(cc1)C(F)(F)F)N	PC-id_142003491	386.37	FQAGCZGNZMGENL-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-105646
COCc1nnc2CCC(CCn12)NC(=O)Cn1nc(cc1C)C(F)(F)F	MCULE-8790196251,PC-id_91910769,EMOLS-id_50590341	386.372	VWGFXQXZRYEFQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105647
c1(NC(=O)c2ccc(cc2N(=O)=O)N(=O)=O)sc2c(CCCCC2)c1C#N	EMOLS-id_1240129,MCULE-5485867539,CoCoCo_91547,TIMTEC307793,PC-id_1748816,BAS-00542690,SPECS-id_AK-968/37005300,ZINC22_2091830	386.382	MHBYKDOTOWEDMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105648
s1c2CCCCCc2c(c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C#N	PC-id_4112021	386.382	HPSMEILYGYKCBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105649
c1(C(F)(F)F)n(C)nc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)c1	PC-id_4771425,EMOLS-id_4063888,ZINC22_2781046,MCULE-9350794484,CoCoCo_6580054	386.392	PHVVHUOYCOHNGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105650
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)n(C)nc(C(F)(F)F)c1	MCULE-4232400754,PC-id_4766382,EMOLS-id_4063898,ZINC22_2743717	386.392	XQMGUSNUAPBFOJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105651
Cn1cc(c(n1)C(F)(F)F)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_87008794	386.392	FOIMVODQYVFPDH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105652
O(c1c(c2-c(c1C(=O)OCC)ccc(cc2)C#CCCCCCC)C(=O)OCC)C	PC-id_11464020	410.503	XETTZCNPLFGYLJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-119643
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc(cc1)C(F)(F)F)C(=O)N	PC-id_60388336	386.392	JPKKHSRUUQKBNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105653
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_7877361	386.392	NVZQPPFLACYZNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105654
c1(C(=O)N2CCn3c(CC2)nc(Cc2ccccc2)n3)cc(n(C(F)F)n1)C	ZINC22_2356170209,EMOLS-id_337773725,MCULE-2607403682	386.399	DZNODGHIRUVZTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105655
O=Cc1ccc(cc1)C(=O)N1CCC(=O)c2c(C1=O)n(cc2)Cc1ccccc1	PC-id_141227299	386.4	DZKIPJRQUHTRHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105656
O=C(c1ccc(cc1)CC1C=NCCn2c(O1)nc(c2)[N+](=O)[O-])OC(C)(C)C	PC-id_145578238	386.402	QAWORRKAQGWQMV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-105657
c1(C(=O)NC2CCc3n(c(=O)[nH]n3)CC2)noc(C)c1Cc1c(C)noc1C	MCULE-8659048152,EMOLS-id_50586027,PC-id_91910810	386.405	SHQRGMBDHDMBNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105658
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(ccc1)C(=O)NCC(=O)N	PC-id_55679037	386.405	OGMSUXVXYKKRDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105659
O=C(NCCc1n2CCCCCc2nn1)CNC(=O)c1cc([N+](=O)[O-])ccc1	PC-id_55483646	386.405	JFPOTROFCOJZOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105660
c1(cn2c(CCN(C/C=C(C)/C)CC2)n1)C(=O)N1CCOC(C1)C(F)(F)F	MCULE-8276079269,EMOLS-id_331113521	386.412	RRDPVUBKELVUIY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105661
CC(=CCN1CCc2nc(C(=O)N3CCO[C@H](C(F)(F)F)C3)cn2CC1)C	ZINC22_1875250020	386.412	RRDPVUBKELVUIY-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105662
CC(=CCN1CCc2nc(C(=O)N3CCO[C@@H](C(F)(F)F)C3)cn2CC1)C	ZINC22_1875250021	386.412	RRDPVUBKELVUIY-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105663
CC(C)Cn1nc2CCN(CCn2c1=O)S(=O)(=O)c1cc(F)ccc1F	EMOLS-id_55716846,MCULE-3342576815	386.417	HFVAPVAKSCHGGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105664
CS(=O)(=O)N(Cc1cccc(C(F)F)c1)Cc1nnc2n1CCOCC2	ZINC22_1775961940,EMOLS-id_320278229,MCULE-1891286710	386.417	JMNRNTIUIWFXKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105665
c12C(=O)NCC(O)Cn1nc(C(=O)N1CCC(CC1)Cc1ccc(cc1)F)c2	PC-id_91837325,EMOLS-id_55664055,MCULE-7248319086	386.42	IXRSMXOJLOXQMX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105666
c12C(=O)NCC(O)Cn1nc(C(=O)NCC1(CCCC1)c1ccccc1F)c2	EMOLS-id_82711209,MCULE-6220635643,PC-id_119062807	386.42	MMHJBOIGKMRHSU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-105667
C1CCC(C1)(CNC(=O)c1nn2CC(CNC(=O)c2c1)O)c1ccc(cc1)F	PC-id_135106516	386.42	BWPUZBAGFFKNPO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-105668
CC[C@H](CNC(=O)c1noc2c1CCCCC2)N=c1[nH]c2c(F)cccc2o1	ZINC22_1875310289	386.42	LPEIAPUJTMOIRF-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105669
CC[C@@H](CNC(=O)c1noc2c1CCCCC2)N=c1[nH]c2c(F)cccc2o1	ZINC22_1875310290	386.42	LPEIAPUJTMOIRF-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105670
CCC(Nc1nc2c(o1)cccc2F)CNC(=O)c1noc2c1CCCCC2	PC-id_145899092,EMOLS-id_324025410,MCULE-6465204575	386.42	LPEIAPUJTMOIRF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105671
BrC(c1sc2c(CCCCC2)c1)c1c(OC)ccc(Br)c1	PC-id_63435755	430.197	GYWDPMSFYNSLDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129432
Fc1ccc(cc1)NC(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100941999	386.42	OJTWFTXVLRTDLV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105672
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC2OCCC2)cc1	PC-id_50797897	386.42	WSSOGYXZVVKCNU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105673
OC1(CC(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)CCC1	ZINC22_1565555566,EMOLS-id_313762253	386.42	CXBKNSMEBWLABW-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-105674
O=C1NCC[C@H](NC(=O)N2CCC[C@@H](c3cccc(O)c3F)C2)c2cc[nH]c12	ZINC22_1875301160	386.42	BRPWBEUNVQMHIE-DOMZBBRYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-105675
O=C1NCC[C@@H](NC(=O)N2CCC[C@@H](c3cccc(O)c3F)C2)c2cc[nH]c12	ZINC22_1875301161	386.42	BRPWBEUNVQMHIE-IUODEOHRSA-N	00000000100010110100100000000010000000000000000000000000	31-01-105676
O=C1NCC[C@@H](NC(=O)N2CCC[C@H](c3cccc(O)c3F)C2)c2cc[nH]c12	ZINC22_1875301162	386.42	BRPWBEUNVQMHIE-SWLSCSKDSA-N	00000000100010110100100000000010000000000000000000000000	31-01-105677
O=C1NCC[C@H](NC(=O)N2CCC[C@H](c3cccc(O)c3F)C2)c2cc[nH]c12	ZINC22_1875301163	386.42	BRPWBEUNVQMHIE-WFASDCNBSA-N	00000000100010110100100000000010000000000000000000000000	31-01-105678
O=C1NC[C@H](O)Cn2nc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12	ZINC22_252488737	386.42	IXRSMXOJLOXQMX-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105679
O=C1NC[C@@H](O)Cn2nc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12	ZINC22_252488738	386.42	IXRSMXOJLOXQMX-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105680
O=C(NCC1(c2ccccc2F)CCCC1)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426436555	386.42	MMHJBOIGKMRHSU-CYBMUJFWSA-N	00000010100000110101100000000010000000000000000000000000	31-01-105681
O=C(NCC1(c2ccccc2F)CCCC1)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426436556	386.42	MMHJBOIGKMRHSU-ZDUSSCGKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-105682
CC(=O)c1cc2c(cc1NC(=O)CN1CCCc3sccc3C1=O)OCO2	PC-id_71932289,ZINC22_89291964,MCULE-9851487924,EMOLS-id_45648188	386.422	VXCRLWHQGIYWQA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-105683
CCOC(=O)c1c(sc2c1CC=CC(=C2)OC)Nc1ccccc1[N+](=O)[O-]	PC-id_141944905	386.422	QWILMGABOJHBJP-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-105684
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(O)cc(O)cc1)C#N	PC-id_3502930	386.422	COARCEWOZFROHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105685
c12CN(CCCn1nc(CN(C)Cc1[nH]c3c(ccc(F)c3)n1)c2)CC(=O)O	PC-id_56916095,ZINC22_72170581,EMOLS-id_43177325,MCULE-8867850849	386.423	DJCBLVLYITVLNI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105686
Cc1cc(cc(c2-c1cc(c2)P(=O)(c1ccccc1)c1ccccc1)C)OC	PC-id_135030690	386.423	JOXCIWBORFLDON-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-105687
Fc1ccc(cc1)C(=O)C1CCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163435	386.423	MXRLFADDZXKKSC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105688
Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168973	386.423	FXTDALIUGFZAJS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105689
Fc1ccc(cc1)C(=O)N1CCCC(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166456	386.423	HYKUJJBJSSIEEA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105690
O=C(Nc1ccc(cc1)F)NC1CCN(C1)C(=O)C1CCn2c(CC1)nnc2	MCULE-7487722818,EMOLS-id_319858384	386.423	HAJMCHXPSIXHEI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-105691
C1CN(Cc2cc(nn2C1)C(=O)Nc1ccccc1)S(=O)(=O)c1ccco1	PC-id_137654193	386.425	BAZNKSAULHMCLI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-105692
s1c2CCCCCc2c(c1NC(=O)[C@@H](Oc1c(nccc1)[N+](=O)[O-])C)C#N	PC-id_40679196	386.425	HHSRVQQYPZUNED-NSHDSACASA-N	00000000100000101100000000000010000000000000000000000000	31-01-105693
s1c2CCCCCc2c(c1NC(=O)[C@H](Oc1c(nccc1)[N+](=O)[O-])C)C#N	PC-id_40679197	386.425	HHSRVQQYPZUNED-LLVKDONJSA-N	00000000100000101100000000000010000000000000000000000000	31-01-105694
s1c2CCCCCc2c(c1NC(=O)C(Oc1c(nccc1)[N+](=O)[O-])C)C#N	PC-id_24497091	386.425	HHSRVQQYPZUNED-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-105695
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1nn(c(=O)cc1)C)C#N	PC-id_55734561	386.425	LKSBBTGFDSCOMC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-105696
CC(c1nnc(o1)c1ccc(cc1)[N+](=O)[O-])Sc1nnc2n1CCCCC2	PC-id_17551354,EMOLS-id_15251985,MCULE-5191063406	386.428	FDDKREMLVBNHBW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105697
C[C@H](Sc1nnc2n1CCCCC2)c1nnc(c2ccc([N+](=O)[O-])cc2)o1	CoCoCo_4013239,PC-id_8211632,ZINC22_7081541	386.428	FDDKREMLVBNHBW-NSHDSACASA-N	00000000100000110101100000000010000000000000000000000000	31-01-105698
C[C@@H](Sc1nnc2n1CCCCC2)c1nnc(c2ccc([N+](=O)[O-])cc2)o1	ZINC22_7081543,PC-id_8211634,CoCoCo_4013240	386.428	FDDKREMLVBNHBW-LLVKDONJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105699
S(c1n2CCCCCc2nn1)CC(=O)Nc1oc(c2c1C(=O)N=NC2=C)C	PC-id_73250528	386.428	IBVCWWUWWYTVPC-UHFFFAOYSA-N	00000000100011000101000000010010000000000000000000000000	31-01-105700
Cn1cnc(C(=O)N2Cc3ncnn3C[C@H](C(=O)NCc3cccs3)C2)n1	ZINC22_1565547513	386.432	JSYSNMOWJOGOGN-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-105701
Cn1cnc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)NCc3cccs3)C2)n1	ZINC22_1614929079	386.432	JSYSNMOWJOGOGN-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-105702
Cn1cnc(n1)C(=O)N1CC(Cn2ncnc2C1)C(=O)NCc1cccs1	EMOLS-id_313723607	386.432	JSYSNMOWJOGOGN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-105703
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1CC(F)(F)F	MCULE-5622369891,PC-id_7877537,EMOLS-id_11859128,CoCoCo_3082179,ZINC22_6098354	386.435	ZYCRANONPVPCIX-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-105704
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)CC(F)(F)F)C	CoCoCo_3082180,CoCoCo_3082183	386.435	NOEXHEOVKIOTRC-ZROIWOOFSA-N	00000000110000000101000000000010000000000000000000000000	31-01-105705
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)CC(F)(F)F)C	CoCoCo_3082181,CoCoCo_3082182	386.435	NOEXHEOVKIOTRC-NTEUORMPSA-N	00000000110000000101000000000010000000000000000000000000	31-01-105706
Fc1ccc(c(c1)F)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_17467124,CoCoCo_3538108,EMOLS-id_13532427,MCULE-8574495760	386.437	NJDDCJQWVLWMRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105707
Fc1ccc(c(c1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2)F	CoCoCo_3840243,EMOLS-id_16688236,PC-id_9239339,MCULE-5996589747	386.437	VWRPWHXPBTXROO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105708
Fc1cc(F)cc(c1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3538111,EMOLS-id_16706192,MCULE-2331417091,PC-id_17509954	386.437	DGPISMVSZFCMAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105709
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1ccc(c(c1)F)F	PC-id_8500325,CoCoCo_3538115,MCULE-5358563865,EMOLS-id_16692773	386.437	WUXSIKSYNOAICP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105710
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(F)cccc1F	PC-id_8500365	386.437	YPYWSCBDIXXVDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105711
O(C1CCCOC(=O)CCc2c(/C=C/OC1)coc2)Cc1ccc(OC)cc1	PC-id_60144759	386.438	USOHMPVTKWXQSN-ZRDIBKRKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-105712
O(C1CCCOC(=O)CCc2c(C=COC1)coc2)Cc1ccc(OC)cc1	PC-id_72662184	386.438	USOHMPVTKWXQSN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-105713
N#Cc1c(NC(=O)CC(c2ccc(cc2)F)C(=O)O)sc2c1CCCCC2	EMOLS-id_18814699,PC-id_42938088,MCULE-5153397116	386.44	JWWWBCHYHFUUMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105714
N#Cc1c(NC(=O)C[C@H](C(=O)O)c2ccc(F)cc2)sc2c1CCCCC2	CoCoCo_4612659,ZINC22_12729147,PC-id_25466034	386.44	JWWWBCHYHFUUMS-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105715
N#Cc1c(NC(=O)C[C@@H](C(=O)O)c2ccc(F)cc2)sc2c1CCCCC2	PC-id_25466037,ZINC22_12729151,CoCoCo_4612660	386.44	JWWWBCHYHFUUMS-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105716
N#Cc1c(NC(=O)COc2ccc(cc2C(=O)C)F)sc2c1CCCCC2	PC-id_112787658	386.44	RKUSZDGATQXIJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105717
s1c2CCCCCc2cc1C(=O)OC(c1oc(nn1)c1ccc(F)cc1)C	PC-id_78634975	386.44	SLHCYJSOFXWKCO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105718
s1c2CCCCCc2cc1C(=O)O[C@H](c1oc(nn1)c1ccc(F)cc1)C	PC-id_8216192	386.44	SLHCYJSOFXWKCO-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105719
s1c2CCCCCc2cc1C(=O)O[C@@H](c1oc(nn1)c1ccc(F)cc1)C	PC-id_8216195	386.44	SLHCYJSOFXWKCO-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105720
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1C)cc(F)cc2)C(=O)N	PC-id_55365636	386.44	WHKLSOYINZNYRB-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-105721
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1ccc(F)cc1)C)C#N	PC-id_55417916	386.44	QOIWZPKPCYKPJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105722
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(F)cccc1)C)C#N	PC-id_55421620	386.44	JWAUZHNYRZVDNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105723
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1ccc(F)cc1)C#N	PC-id_5138397	386.44	WSMRPBYKBVAJPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105724
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1c(F)cccc1)C#N	PC-id_35687089	386.44	WLPLFXSVAZULAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105725
CCCCc1c(NC(=O)C)c(c2-c1ccc(cc2)CC(=O)NO)C(=O)OCC	PC-id_141580539	386.442	HTUORYLEZFUQLK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-105726
CCOc1ccc(cc1)CC(C(=O)O)CNC(=O)c1noc2c1CCCCC2	MCULE-1685148270,PC-id_120524925,EMOLS-id_57614407	386.442	ULXWUARMHNBPSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105727
CCOC(=O)c1c2-c(c(c1NC(=O)C)CC(C)C)ccc(cc2)CC(=O)NO	PC-id_141580558	386.442	RSEDMCXIBYHDGV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-105728
Fc1ccc(c(c1)F)n1nc(c(c1C)CNCc1nnc2n1CCCCC2)C	PC-id_121694730,EMOLS-id_51231885,MCULE-4278502764	386.442	QQTLXJJDBQURQI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105729
O(c1c(NC(=O)C)c(c2-c1ccc(cc2C)C(=O)NOCC)CCCC)C=O	PC-id_57074318	386.442	XYDBLSYDCFEHFN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-105730
O(c1c(NC(=O)C)c(CC(C)C)c2-c1ccc(cc2C)C(=O)NOCC)C=O	PC-id_56976552	386.442	ZTYPARYQUVOHMF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-105731
OC(CC(=O)N1CCCc2c(C1)cco2)CC(=O)N1CCCc2c(C1)cco2	EMOLS-id_100663820	386.442	TVVXFGAXOXEXJC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-105732
Cc1csc(n1)NC(=O)c1nc2c(o1)CCN(CC2)Cc1cc(ccc1)F	PC-id_134805571	386.443	KMOGTBVZTUQFSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105733
Cc1csc(n1)NC(=O)c1nc2c(o1)CCN(CC2)Cc1ccccc1F	PC-id_134808273	386.443	ZBUWQKBASHATKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105734
O=C(c1ccccc1)O/C=Cc1nc2c(n1C(=O)c1ccccc1)CCCCC2	PC-id_142206002	386.443	JHNZBINTBVEHKV-MSUUIHNZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105735
S(CC1n2c(noc2=O)CCCC1)CC(/N=C(/OC(C)(C)C)[O-])C(=O)O	PC-id_22901389	386.443	GCNGZOZAODICBU-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-105736
c12CN(CCCn1nc(CCC(=O)NCCO)c2)Cc1ccc(cc1)C(=O)O	EMOLS-id_46080451,MCULE-6704323644,ZINC22_91858513,PC-id_72913974	386.445	QUEIWWGGENDHJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105737
c12CN(CCCn1nc(CCC(=O)O)c2)CC(=O)NCc1ccccc1OC	MCULE-9839517889,PC-id_56900117,EMOLS-id_43130429,ZINC22_72432433	386.445	GNUKSESBLSDDJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105738
c12CN(CCCn1nc(CNC(=O)c1ccc(COC)o1)c2)C(=O)C1CCC1	ZINC22_91726140,EMOLS-id_46071117,PC-id_72901204,MCULE-4134860342	386.445	FDBAEHBBWXWMRP-UHFFFAOYSA-N	00001000101000000101000000000010000000000000000000000000	31-01-105739
c12C(=O)NCC(O)Cn1nc(C(=O)N(CC(C)C)Cc1ccc(cc1)OC)c2	EMOLS-id_55640138,PC-id_91833842,MCULE-3622948775	386.445	LXIMMUZBNFHQMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105740
c12C(=O)NCC(O)Cn1nc(C(=O)N(C)CCCOc1ccc(cc1C)C)c2	MCULE-7929250924,PC-id_91832604,EMOLS-id_55631290	386.445	BZERQYRIYJKKQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105741
c12C(=O)NCC(O)Cn1nc(C(=O)N(C)CCCOc1cc(C)ccc1C)c2	EMOLS-id_82735287,MCULE-9669064581,PC-id_119071777	386.445	CKSSYMWPJLFQBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105742
c12C(=O)NCC(O)Cn1nc(C(=O)N(CC)CCOc1ccc(c(C)c1)C)c2	MCULE-2538827866,EMOLS-id_82735749,PC-id_119071953	386.445	ZXAODBRFHUZNPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105743
c12C(=O)NCC(O)Cn1nc(C(=O)N(C)CCCOc1c(C)cccc1C)c2	MCULE-8413956001,PC-id_119062765,EMOLS-id_82711099	386.445	BZOBAGRKDFGANB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105744
c12C(=O)NCC(O)Cn1nc(C(=O)N(C)CCCOc1cccc(CC)c1)c2	EMOLS-id_82735591,MCULE-9178869598,PC-id_119071895	386.445	YGBLGDUGZBBKEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105745
c12C(=O)NCC(O)Cn1nc(C(=O)N(C)CCOc1ccc(cc1)C(C)C)c2	EMOLS-id_82743747,MCULE-9292043161,PC-id_119074946	386.445	PUMCRXUJCMAOAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105746
c12C(=O)NCC(O)Cn1nc(C(=O)N(CCCOC)Cc1ccc(cc1)C)c2	MCULE-5317144950,PC-id_91842417,EMOLS-id_55699715	386.445	HVFBJVZULYIQHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105747
c12C(=O)NCC(O)Cn1nc(C(=O)N(CCOC)Cc1ccc(cc1)CC)c2	PC-id_91842672,MCULE-4685189958,EMOLS-id_55701472	386.445	LIGCARQJTHHTPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105748
Cc1cccc(C)c1OCCCN(C)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426434790	386.445	BZOBAGRKDFGANB-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105749
Cc1cccc(C)c1OCCCN(C)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426434792	386.445	BZOBAGRKDFGANB-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105750
Cc1ccc(C)c(OCCCN(C)C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)c1	ZINC22_426640331	386.445	CKSSYMWPJLFQBT-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105751
Cc1ccc(C)c(OCCCN(C)C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)c1	ZINC22_426640332	386.445	CKSSYMWPJLFQBT-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105752
Cc1ccc(OCCCN(C)C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)c(C)c1	ZINC22_252480267	386.445	BZERQYRIYJKKQO-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105753
Cc1ccc(OCCCN(C)C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)c(C)c1	ZINC22_252480268	386.445	BZERQYRIYJKKQO-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105754
CCc1cc(ccc1)OCCN(CC)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135091443	386.445	OROCJIBRAMCAOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105755
CCc1ccc(CN(CCOC)C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)cc1	ZINC22_244716090	386.445	LIGCARQJTHHTPS-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105756
CCc1ccc(CN(CCOC)C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)cc1	ZINC22_244716091	386.445	LIGCARQJTHHTPS-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105757
CCc1cccc(OCCCN(C)C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)c1	ZINC22_426643088	386.445	YGBLGDUGZBBKEJ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105758
CCc1cccc(OCCCN(C)C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)c1	ZINC22_426643089	386.445	YGBLGDUGZBBKEJ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105759
CC(C)c1ccc(OCCN(C)C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)cc1	ZINC22_426739083	386.445	PUMCRXUJCMAOAY-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105760
CC(C)c1ccc(OCCN(C)C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)cc1	ZINC22_426739084	386.445	PUMCRXUJCMAOAY-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105761
CC(C)COc1ccccc1CN(C)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135092937	386.445	FOEOOVUQJKALDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105762
CCN(CCOc1ccc(C)c(C)c1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426648230	386.445	ZXAODBRFHUZNPY-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105763
CCN(CCOc1ccc(C)c(C)c1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426648231	386.445	ZXAODBRFHUZNPY-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105764
COc1ccccc1C1OCCN(C1)C(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_316636553	386.445	HOECIGHDQNSCES-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105765
COc1ccc(CN(CC(C)C)C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)cc1	ZINC22_244719119	386.445	LXIMMUZBNFHQMX-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105766
COc1ccc(CN(CC(C)C)C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)cc1	ZINC22_244719120	386.445	LXIMMUZBNFHQMX-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105767
COCCCN(Cc1ccc(C)cc1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244673774	386.445	HVFBJVZULYIQHL-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105768
COCCCN(Cc1ccc(C)cc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244673775	386.445	HVFBJVZULYIQHL-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105769
COCCN1C(=O)C[C@H](C(=O)N2CCCc3occc3C2)[C@H]1c1nccn1C	ZINC22_1615550151,EMOLS-id_320339393,MCULE-4406876898	386.445	SKNHZRBVHAQSAH-YJBOKZPZSA-N	00000010100000000101100000000010000000000000000000000000	31-01-105770
COCCn1c(=O)n2CCN(CCc2n1)C(=O)C1(CC1)c1ccc(cc1)OC	PC-id_91922425	386.445	SVTKPCLMNPVYSY-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-105771
n12CCC(CCc1nn(CCOc1ccccc1)c2=O)C(=O)N1CCOCC1	EMOLS-id_207876680,MCULE-4159390830	386.445	DBWAXFOVSAPINF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105772
OCCCN1COCc2c(N(C1=O)C)nc(n2Cc1ccccc1)OC(=C)C	PC-id_144762372	386.445	ZAILVEYIVPVQBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105773
OC(=O)COc1c(C)cc(cc1C)C(=O)NCCc1nnc2n1CCCCC2	PC-id_120225610	386.445	NNOWUUKIIUVMCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105774
c1(cc2c(cccc2)o1)C(=O)N1CCn2c(CC1)nc(CCc1ccccc1)n2	EMOLS-id_337772566,ZINC22_2356139784,MCULE-7740488004	386.446	XPUOFKSEVPAUCK-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-105775
C1CCc2nnc(n2CC1)/C(=C(/COc1ccc(cc1)c1ccccc1)O)/C#N	PC-id_135450557	386.446	WPUNDQBJOBMKEX-MRCUWXFGSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105776
c1(C(=O)N2CCn3c(CC2)nc(Cc2ccccc2)n3)c(C)c2c(cccc2)o1	MCULE-8966716992,EMOLS-id_337665973,ZINC22_2100473516	386.446	OVVKNYTUOTVXBN-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-105777
COc1ccc(cc1c1ccccc1)C(=O)[C@@H](c1nnc2n1CCCCC2)C#N	GD-id_ZINC51899795	386.446	WYSSWZXBCMQSTC-IBGZPJMESA-N	00000000100000110101100000000010000000000000000000000000	31-01-105778
COc1ccc(cc1)Cn1c2c(cn1)C(=O)CCCN2Cc1cccc(c1)C#N	PC-id_89705453,SCHEMBL15130248	386.446	LLQPIDUOWCYZQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105779
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)c1cccc2C(=O)CCc12	MCULE-7372432428,EMOLS-id_337803023,ZINC22_2356139235	386.446	USHAPPVMZRJUJN-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-105780
N#C/C(=C
/NN=C2N1CCCCC2)/C(=O)COc1ccc(cc1)c1ccccc1	CoCoCo_3956028,PC-id_6235619	386.446	HVADDSKRASLLKC-BSYVCWPDSA-N	00000011000000110111100000000010000000000000000000000000	31-01-105781
N#C/C(=C/1NN=C2N1CCCCC2)/C(=O)COc1ccc(cc1)c1ccccc1	CoCoCo_3956029	386.446	HVADDSKRASLLKC-ATJXCDBQSA-N	00000011000000110111100000000010000000000000000000000000	31-01-105782
N#CC(=C1NN=C2N1CCCCC2)C(=O)COc1ccc(cc1)c1ccccc1	PC-id_6840768,EMOLS-id_26201111,MCULE-1927044176	386.446	HVADDSKRASLLKC-UHFFFAOYSA-N	00000011000000110111100000000010000000000000000000000000	31-01-105783
O=C(c1cc2ccccc2[nH]1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_575406756	386.446	SCHWVUHPAUGESA-FQEVSTJZSA-N	00000000100000101101000001100010000000000000000000000000	31-01-105784
O=C(c1cc2ccccc2[nH]1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_575406757	386.446	SCHWVUHPAUGESA-HXUWFJFHSA-N	00000000100000101101000001100010000000000000000000000000	31-01-105785
O=C(c1cc2ccccc2[nH]1)N1Cc2cccn2C[C@H](OCc2cccnc2)C1	ZINC22_575403947	386.446	JDLJBZAPZYELON-FQEVSTJZSA-N	00000000100000101101000001100010000000000000000000000000	31-01-105786
O=C(c1cc2ccccc2[nH]1)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1	ZINC22_575403948	386.446	JDLJBZAPZYELON-HXUWFJFHSA-N	00000000100000101101000001100010000000000000000000000000	31-01-105787
O=C(c1cc2ccccc2[nH]1)N1Cc2cccn2C[C@H](OCc2ccncc2)C1	ZINC22_575404957	386.446	GACSIDSNXKUSAD-FQEVSTJZSA-N	00000000100000101101000001100010000000000000000000000000	31-01-105788
O=C(c1cc2ccccc2[nH]1)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1	ZINC22_575404958	386.446	GACSIDSNXKUSAD-HXUWFJFHSA-N	00000000100000101101000001100010000000000000000000000000	31-01-105789
O=C(N1CC(Cn2cccc2C1)OCc1ccccn1)c1cc2ccccc2[nH]1	EMOLS-id_55752019	386.446	SCHWVUHPAUGESA-UHFFFAOYSA-N	00000000100000101101000001100010000000000000000000000000	31-01-105790
O=C(N1CC(Cn2cccc2C1)OCc1cccnc1)c1cc2ccccc2[nH]1	EMOLS-id_55750831	386.446	JDLJBZAPZYELON-UHFFFAOYSA-N	00000000100000101101000001100010000000000000000000000000	31-01-105791
O=C(N1CC(Cn2cccc2C1)OCc1ccncc1)c1cc2ccccc2[nH]1	EMOLS-id_55752047	386.446	GACSIDSNXKUSAD-UHFFFAOYSA-N	00000000100000101101000001100010000000000000000000000000	31-01-105792
C1CC(=O)N(C(=O)C1)CCS(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625607	386.447	QIABGHWRDFLGQQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105793
c12CN(CCCn1nc(CNC(=O)c1cccc(COC)n1)c2)C(=O)N(C)C	PC-id_72840563,EMOLS-id_46027139,MCULE-4191227484,ZINC22_91596052	386.448	WGRKIYFGJJWQDR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105794
c1(C(=O)NCc2cc3n(CCCN(C3)C(=O)N(C)C)n2)cc(C)c([nH]c1=O)C	PC-id_72886815,EMOLS-id_46060611,MCULE-9812031518,ZINC22_91645102	386.448	POCQRUMAKGIFPB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105795
c1(C(=O)NCc2cc3n(CCCN(C3)C(=O)N(C)C)n2)onc2CCCCc12	MCULE-7764318296,ZINC22_426399022,EMOLS-id_82617881,PC-id_122131146	386.448	KTWBYOINCCJILO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105796
Cc1cc(nc(=O)n1CC(=O)NC1CCc2nn(c(=O)n2CC1)CC1CC1)C	PC-id_91922681	386.448	LXTAKGZAKWBHGV-UHFFFAOYSA-N	00100000100000100101000000000010000000000000000000000000	31-01-105797
o1nc(c2CCCCc12)C(=O)NCc1nn2CCCN(Cc2c1)C(=O)N(C)C	PC-id_72850632	386.448	LTQMIVYBJNSMRV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105798
O=C1CC(CN1CC1CCC1)c1noc(n1)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_324023070,PC-id_146089211,MCULE-2418036513	386.448	RCZGROUQBZZFFE-UHFFFAOYSA-N	00001010100000000101100000000010000000000000000000000000	31-01-105799
O=C1C[C@H](c2noc(Cn3nc4n(c3=O)CCCCC4)n2)CN1CC1CCC1	ZINC22_371944470	386.448	RCZGROUQBZZFFE-AWEZNQCLSA-N	00001010100000000101100000000010000000000000000000000000	31-01-105800
O=C1C[C@@H](c2noc(Cn3nc4n(c3=O)CCCCC4)n2)CN1CC1CCC1	ZINC22_371944472	386.448	RCZGROUQBZZFFE-CQSZACIVSA-N	00001010100000000101100000000010000000000000000000000000	31-01-105801
O=c1n2CCCCCc2nn1CC(=O)Nc1c(NC(=O)NC(C)C)cccc1	PC-id_60555334	386.448	DNQYHECAIZHYDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105802
O=C1NCCN(C1CC(=O)NCc1n2CCCCCc2nn1)Cc1ccoc1	MCULE-5695192087,PC-id_56902419,EMOLS-id_43137118	386.448	IZHVTCRMOZUIDE-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-105803
O=C(C[C@H]1C(=O)NCCN1Cc1ccoc1)NCc1nnc2n1CCCCC2	PC-id_95715963	386.448	IZHVTCRMOZUIDE-HNNXBMFYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-105804
O=C(C[C@@H]1C(=O)NCCN1Cc1ccoc1)NCc1nnc2n1CCCCC2	PC-id_95715964	386.448	IZHVTCRMOZUIDE-OAHLLOKOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-105805
c1(c2ccccc2n(C)n1)C(=O)N1CCn2c(CC1)nc(Cc1ccccc1)n2	ZINC22_2356169320,MCULE-5326796654	386.45	PSEYTPZHGIRJDM-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-105806
c1(cn2c(ccc(C)c2)n1)C(=O)N1CCn2c(CC1)nnc2Cc1ccccc1	MCULE-6091053773,EMOLS-id_44726878,PC-id_70752140,ZINC22_91690988	386.45	CGNGSBWCMNKPNC-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-105807
c1(cnn2ccccc12)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	MCULE-7694184700,EMOLS-id_36424404,ZINC22_67513798,PC-id_56702619	386.45	UEJISQKIUVXWMT-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-105808
c1(C(=O)N2CCn3c(CC2)nc(Cc2ccccc2)n3)cn2c(cccc2C)n1	ZINC22_2356134688,EMOLS-id_337739507,MCULE-5831059352	386.45	XZNABKXUGYRSQE-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-105809
Cn1ccc2ccc(C(=O)N3CCc4nc(Cc5ccccc5)nn4CC3)nc12	EMOLS-id_337836295,MCULE-3677921089,ZINC22_2356138400	386.45	AAXGEBANPZJDDC-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-105810
Cn1cnc2cc(ccc12)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	MCULE-6621843392,EMOLS-id_337833586,ZINC22_2356165496	386.45	BOEKEWOBCGSJTE-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-105811
Cn1ncc2c1CCCN(C(=O)c1cnc3c(cnn3Cc3ccccc3)c1)C2	PC-id_136547631,EMOLS-id_316882318,MCULE-3616686711,ZINC22_572222390	386.45	VYPAFGXRKCBKND-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-105812
FC(F)(F)C(=CC=CC(=CC=O)C)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_76695593	386.45	UJDATOSXBRNLDC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-105813
FC(F)(F)/C(=C/C=C/C(=C/C=O)/C)/c1c2-c(c(c1)C)cc(C(C)C)ccc2C	SCHEMBL10001482,PC-id_57983847	386.45	UJDATOSXBRNLDC-TWKSSHBTSA-N	00000010100000000110000000000010000000000000000000000000	31-01-105814
Nc1nc(CSc2nnc3n2CCCCC3)nc(Nc2ccc(F)cc2)n1	MCULE-3410937824,EMOLS-id_3627948,ZINC22_8325203,CoCoCo_4311463,PC-id_9450668	386.45	SAMSQPPTTRZWPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105815
O=C(C1CCn2c(CC1)nnc2)NC(c1ccc2c(c1)nc[nH]2)c1ccccc1	MCULE-3217071310,EMOLS-id_320004623	386.45	BULUAZPXFWYUPU-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-105816
c12CN(CCCn1nc(CNC(=O)CCn1c(C)nnn1)c2)C(=O)C1CCC1	ZINC22_91892955,PC-id_72917635,EMOLS-id_46083005,MCULE-1703792230	386.451	ULBUGJBFLVQOMS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-105817
C=C(c1nc2n(n1)CCN(CC2)C(=O)OC(C)(C)C)N1CCc2c(C1)n[nH]n2	SCHEMBL17125332,PC-id_118404762	386.451	KSUORFZSQHDEJK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105818
n12CCC(CCc1nn(CC(=O)N1CCCN(CC1)c1ncccn1)c2=O)N	PC-id_91910898,EMOLS-id_50590578,MCULE-2872020894	386.451	SKKYFTJENYVNCV-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-105819
N=Cc1ccc(c(c1N)C)Nc1ncc(c(n1)NC1=CCc2c(C=C1)cn[nH]2)C	PC-id_142233487	386.453	UZAMJXRTSHJIDG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-105820
CN=C(NCc1nnc2n1CCCCC2)NCC1CCC(CC1)C(F)(F)F	PC-id_119140551	386.458	VFPWUVKGSXQEFJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105821
CN=C(NCc1nnc2n1CCCCC2)NCC1CCCC(C1)C(F)(F)F	PC-id_120049559	386.458	OALUUDMYMQBLMI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105822
c12CN(CCCn1nc(CN(C)CC)c2)C(=O)CCC(=O)c1ccc(cc1)F	ZINC22_72426402,EMOLS-id_43112987,MCULE-9273081297,PC-id_56895662	386.463	CXBQRTBSEHHORJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105823
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(c(F)c1)OC	MCULE-8251211497,PC-id_72870145,EMOLS-id_46048475,ZINC22_91547823	386.463	HBISDDXZHWOLCF-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-105824
Fc1ccc(C2(CCCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55746122	386.463	AUDVZWFRXFGTPY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-105825
Fc1ccc(C2(CCOCC2)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_56055043	386.463	DUJWJZMHMGCGQY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105826
Fc1ccc(cc1)N1CCN(CC1)CCN1CCC(c2c(C1=O)ccn2C)O	SCHEMBL6774796,PC-id_9886479	386.463	ONJABKGVGSEOTI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105827
Fc1ccc(cc1)N1CCN(CC1)CCNC(=O)c1noc2c1CCCCC2	EMOLS-id_100932204	386.463	RJTNYHLSMYCTJX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105828
Fc1cccc(Cn2nc3CCCCC(C(=O)NC4CCCCC4)n3c2=O)c1	MCULE-9520684569,EMOLS-id_207869493	386.463	OVGWALPBGOAUAA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105829
Fc1c(CN2C(=O)C(O)(CN3CCCn4nc(cc4C3)C)CCC2)cccc1	PC-id_56746901	386.463	PIUFMYOWZXATQH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105830
O=C(c1ccc(F)cc1)C1CCN(CCn2nc3n(c2=O)CCCCC3)CC1	PC-id_15105358,CHEMBL301902	386.463	HXDBLYYKUWFVLA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105831
c1(c2CCCCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1ccccc1	MCULE-7970803492,CoCoCo_1754282,PC-id_3590106,BindingDB_PC-id_3590106,ChEMBL-DNDi_CHEMBL1416076,EMOLS-id_2569798,CHEMBL1416076,CHEBI:105734,ZINC22_4551404,BindingDB-id_113376	386.465	ITRHUIJAZOOGTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105832
c1(NC(=O)c2ccc(cc2)C(=O)OC)sc2c(CCCCC2)c1C(=O)NC	MCULE-7538587558,EMOLS-id_32180111,PC-id_7475084,ZINC22_5055799	386.465	JGZNXWITUOODPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105833
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCCCC2)c1C#N	EMOLS-id_4989249,ChEMBL-DNDi_CHEMBLF3097-2913,ZINC22_947874,PC-id_1186322,MCULE-7989126911	386.465	PHCUCMCGISDEIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105834
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC(=O)C)sc2c(CCCCC2)n1	MCULE-7784064857	386.465	DMGFYVGSBKNWNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105835
COc1cc(/C=C/C(=O)Nc2nc3CCCCCc3s2)ccc1OC(=O)C	EMOLS-id_334604662	386.465	DMGFYVGSBKNWNX-PKNBQFBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105836
O=C(COC(=O)c1cc2c(s1)CCCCC2)NC(=O)NCc1ccccc1	MCULE-7495210915,ZINC22_4767766,CoCoCo_2861327,PC-id_7351969,EMOLS-id_11692992	386.465	BSEFUTZWSBTPAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105837
O=C(NNC(=O)c1ccccc1)COC(=O)c1sc2c(c1)CCCCCC2	MCULE-2093781565,PC-id_7618219,EMOLS-id_43708939	386.465	FAJPCBDOCRVETB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105838
OC(=O)CCNC(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_121849594,MCULE-2844526896,EMOLS-id_51429760	386.465	OTNUATWGSGOMJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105839
OC(=O)C(NC(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_72603331,PC-id_121947181,MCULE-5918499259	386.465	XGXCONQSQQHVHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105840
OC(=O)CNC(=O)Cc1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_51460172,MCULE-3942717009,PC-id_119224397	386.465	SMBYTAJZNDCFHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105841
s1c2CCCCCc2cc1C(=O)NN=C(c1ccc(OCC(=O)O)cc1)C	PC-id_78620777	386.465	XIESGAFUDRHRCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105842
s1c2CCCCCc2cc1C(=O)N/N=C(c1ccc(OCC(=O)O)cc1)/C	PC-id_8159462	386.465	XIESGAFUDRHRCX-BKUYFWCQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105843
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(OC)c(OC(=O)C)cc1	PC-id_78620783	386.465	CVJBIDREVQJCCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105844
s1c2CCCCCc2cc1C(=O)OC(c1ccccc1)C(=O)NC(=O)NC	PC-id_78474837	386.465	AVDBCWORWFLKPC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105845
s1c2CCCCCc2cc1C(=O)OC(C)C(=O)NNC(=O)c1ccccc1	PC-id_84879435	386.465	LLVAPSWZJLTWNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105846
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1ccc(cc1)C(=O)N)C	PC-id_42977803	386.465	KCOZSJBCMNZAKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105847
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)NC	PC-id_9403049	386.465	KXDDISMTZLFPDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105848
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(ccc1)C(=O)NC	PC-id_9403080	386.465	RMVUOSDEOIMPGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105849
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(NC(=O)C)cc1	PC-id_7352147	386.465	FTLZYAQPUKEDMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105850
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(NC(=O)C)ccc1	PC-id_7649827	386.465	PEHJUDRMPRSEIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105851
s1c2CCCCCc2cc1C(=O)OCC(=O)N(Cc1occc1)CCC#N	PC-id_18201484	386.465	OHDDESGNBCLZFN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-105852
s1c2CCCCCc2cc1C(=O)O[C@H](c1ccccc1)C(=O)NC(=O)NC	PC-id_7352145	386.465	AVDBCWORWFLKPC-QGZVFWFLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105853
s1c2CCCCCc2cc1C(=O)O[C@@H](c1ccccc1)C(=O)NC(=O)NC	PC-id_7352146	386.465	AVDBCWORWFLKPC-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105854
s1c2CCCCCc2cc1C(=O)O[C@@H](C)C(=O)NNC(=O)c1ccccc1	PC-id_8944879	386.465	LLVAPSWZJLTWNL-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105855
s1c2CCCCCc2cc1C(=O)O[C@H](C)C(=O)NNC(=O)c1ccccc1	PC-id_8944884	386.465	LLVAPSWZJLTWNL-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105856
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(cc1)C(=O)N)C	PC-id_7352048	386.465	KCOZSJBCMNZAKV-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105857
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(cc1)C(=O)N)C	PC-id_7352049	386.465	KCOZSJBCMNZAKV-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105858
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C)C(=O)NC(=O)OC	PC-id_7521862	386.465	ZHBFIMFUUDOQDR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105859
s1c2c(CCCCC2)c(c1NC(=O)c1cc(ccc1)C)C(=O)NC(=O)OC	PC-id_7521863	386.465	GEBSCCTUSXGVDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105860
s1c2c(CCCCC2)c(c1NC(=O)c1c(cccc1)C)C(=O)NC(=O)OC	PC-id_7521886	386.465	JPAOKHWIQZDIAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105861
s1c2c(CCCCC2)c(c1NC(=O)c1ccccc1)C(=O)NC(=O)OCC	PC-id_7521909	386.465	WYVQCNWWCDOWBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105862
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(NC(=O)C)cc1)C(=O)OC	PC-id_78877962	386.465	ZNKFQUOTLHDFOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105863
s1c2c(CCCCC2)c(c1NC(=O)c1cc(NC(=O)C)ccc1)C(=O)OC	PC-id_52598427	386.465	XLKFKZHVHUPJDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105864
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccccc1)C(=O)NC(=O)OC	PC-id_7521896	386.465	OADDAFKDFJFRNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105865
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)CCc1occc1)C)C#N	PC-id_8399234	386.465	JLJZHRQGYWHBTA-ZDUSSCGKSA-N	00000000101000000100000000000010000000000000000000000000	31-01-105866
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)CCc1occc1)C)C#N	PC-id_8399235	386.465	JLJZHRQGYWHBTA-CYBMUJFWSA-N	00000000101000000100000000000010000000000000000000000000	31-01-105867
s1c2c(CCCCC2)c(c1NC(=O)COc1cc(ccc1)C(=O)C)C(=O)N	PC-id_60388262	386.465	FNMAYWOPEUQEFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105868
s1c2c(CCCCC2)c(c1NC(=O)COc1ccc(cc1)C(=O)C)C(=O)N	PC-id_60388359	386.465	ONMKRKQQIQREIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105869
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(c(oc1C)C)C)C#N	PC-id_27189396	386.465	SYEGQVRZLXEASM-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-105870
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCc1occc1)C)C#N	PC-id_78685895	386.465	JLJZHRQGYWHBTA-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-105871
s1c2c(CCCCC2)c(c1NC(=O)CON=Cc1ccccc1)C(=O)OC	PC-id_7644061	386.465	JXCAQFJSSYQHQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105872
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(cc1)C(=O)OC	PC-id_9441671	386.465	JSQKNSATOYLRRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105873
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)N	PC-id_7618687	386.465	ZOFOMVDGJNPJSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105874
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1oc(c(c1C#N)C)C	PC-id_24593816	386.465	RPAKJJREQDHFHP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-105875
Fc1ccccc1N1CCC(CC1)NC(=O)NCc1cc2CNCCCn2n1	EMOLS-id_177397472,PC-id_121499288,MCULE-6617840443,ZINC22_426436813	386.466	XHYJRBXXBQHFLS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105876
O=C(Nc1ccc(F)cc1)NC1CCN(Cc2nnc3n2CCCCC3)CC1	EMOLS-id_316812919,ZINC22_264215729,MCULE-4891722534,PC-id_136523644	386.466	NUUWFFIVMADLHW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105877
c1(C(=O)Nc2sc3c(CCCCC3)n2)noc(C)c1Cc1c(C)noc1C	CoCoCo_492107,MCULE-6566101006,EMOLS-id_30434491,SYN-19997834,PC-id_46968765,ZINC22_19580996	386.468	ZJFPVRCWWCHILR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105878
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(c(N(=O)=O)c1)N1CCCC1	MCULE-7393432461,EMOLS-id_334605179	386.468	FRJKOAQLWQMVQT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-105879
CCN(c1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)C)C	SCHEMBL12598911,PC-id_58256638	386.468	ZCXDLFAHOFWECX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105880
COCCN1CCC(C(=O)c2c1nn(c2)Cc1ccc(cc1)OC)SC#N	SCHEMBL366137,PC-id_86698367	386.468	GKEKBJFQRCQXPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105881
CSc1ccc(cc1)CN(C1CC1)C(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135096332	386.468	ZEBQJNFWXYQQGE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105882
OC1(CC(=O)N2CCc3nc(sc3CC2)C(=O)Nc2ccncc2)CCC1	ZINC22_1565554004,EMOLS-id_313793595	386.468	ITGWAPOBSCJCCG-UHFFFAOYSA-N	00001000100000101101000000000010000000000000000000000000	31-01-105883
O=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)Cc1cc2OCOc2cc1	PC-id_30661613	386.468	RKDNTQWJJRCRLD-UHFFFAOYSA-O	00000010100010100101000000001010000000000000000000000000	31-01-105884
O=C(NC1CC1)c1cc2CN(CCCn2n1)S(=O)(=O)/C=C/c1ccccc1	PC-id_50967952,ZINC22_65419221,EMOLS-id_44853581	386.468	GQIMJKQSIPJNHE-FMIVXFBMSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105885
O=C(Nc1ccccc1)N1CCc2nc(C(=O)N3CCOCC3)sc2CC1	EMOLS-id_44303998,PC-id_97442539,ZINC22_96147015	386.468	IDVGBZHREBTAPW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-105886
s1c2CCCCCc2cc1C(=O)NN=Cc1cc([N+](=O)[O-])c(N(C)C)cc1	PC-id_78610997	386.468	AGZDIPMADGQKQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105887
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cn1nc(cc1C)C)C#N	PC-id_27727058	386.468	GWWKBBIVDKTDIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-105888
S(c1c(C(C)C)cccc1C(=O)OC)CCn1c2NC=NCC(=O)c2nc1	PC-id_10715187	386.468	VGNDHIHDRFZRKZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-105889
S(=O)(=O)(C=Cc1ccccc1)N1CCCn2c(cc(n2)C(=O)NC2CC2)C1	MCULE-4306785549,PC-id_72073992	386.468	GQIMJKQSIPJNHE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105890
CN=C(NC1CCN(C1)c1ncccc1F)NCc1nnc2n1CCCCC2	PC-id_109638735	386.47	XWUROMLTEDCPOI-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-105891
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc2c(nsn2)c1	ZINC22_91620685,MCULE-3222800153,EMOLS-id_46055889,PC-id_72880457	386.471	NYTWCMWAEAQERP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105892
c1(cc(nn1C)C)S(=O)(=O)N1CCc2n(nc(Cc3ccccc3)n2)CC1	EMOLS-id_337823016,ZINC22_2356146778,MCULE-5871469359	386.471	VGOQPQQMXUBAMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105893
Cc1c(cnn1C)S(=O)(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356144245,EMOLS-id_337832220,MCULE-3993628599	386.471	ORQCSIFTHYOHME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105894
Cc1[nH]c2nc(CC(=O)Nc3nc4CCCCCCc4s3)nn2c(=O)c1C	PC-id_46971212,CoCoCo_496133,EMOLS-id_30438561,MCULE-9530647493,SYN-20040971,ZINC22_19576992	386.471	RKWRHIOECOKRCU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105895
Cc1snnc1C(=O)N1CCc2ncc(CN(C)Cc3ccco3)n2CC1	EMOLS-id_313781447,ZINC22_585110596	386.471	CPXBULXRVCOZMQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-105896
CCc1ccc(cc1)S(=O)(=O)N1CCCn2nnc(Cn3cccn3)c2C1	EMOLS-id_46182473,PC-id_97405547,ZINC22_96084724	386.471	PQYDVIUPOIYWMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105897
CCc1ccc(cc1)S(=O)(=O)N1CCCn2nnc(Cn3ccnc3)c2C1	ZINC22_96084715,PC-id_97405538,EMOLS-id_46182453	386.471	NDMHCMRPLDDHTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105898
CCc1sc2c(c1)c(=O)n(cn2)CC(=O)NCc1nnc2n1CCCCC2	CoCoCo_502994,PC-id_46975164	386.471	WQXQYJZWNHAAQF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105899
Cn1cnc(c1)S(=O)(=O)N1CCc2nc(CCc3ccccc3)nn2CC1	EMOLS-id_337786171,ZINC22_2356148044,MCULE-7060113468	386.471	DYTMXTXLMLDKAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105900
COc1ccc2n(n1)c(CCCC(=O)Nc1nc3c(s1)CCCCC3)nn2	ZINC22_72405825,PC-id_60179285,STOCK7S-29870,EMOLS-id_46566515,EMOLS-id_43041455,MCULE-5645688319	386.471	FAWBMMNPBWHFGU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105901
COc1csc(c2cc(NC(=O)N3CCCc4c(cnn4C)C3)n(C)n2)c1	MCULE-9334086323,ZINC22_886093431,EMOLS-id_316209966	386.471	PFELQQBRPUBRQC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-105902
n12CCCNCc1cc(CNC(=O)NCCSc1oc3c(cccc3)n1)n2	EMOLS-id_177430099,ZINC22_426509310,MCULE-5130979419,PC-id_121503411	386.471	GFGLRQMBFXVLML-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105903
s1cc(c2nc(on2)CCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51304524	386.471	YWVXWJZYGFWEJY-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-105904
O=C(Nc1nc2c(s1)CCCCC2)NCCNc1cc(C)nc2n1ncn2	PC-id_100908366	386.475	VPRSRCXZUNCKFF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105905
CCCCCOC(=O)c1c2-c(c(c1OCC)C(=O)OCC)c(C)cc(cc2)C	PC-id_141346777	386.481	CHBQTJPVGCHKQJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-105906
CCCCOC(=O)c1c(OCC)c(c2-c1ccc(cc2C)C)C(=O)OCCC	PC-id_141346795	386.481	CFUKEHPFTYSVPA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-105907
CC(/C=C/C[N@H+]1CCc2n(CC1)c(nn2)CCNC(=O)c1ccc(cc1)F)C	GD-id_ZINC11882184	386.486	ONNLDJCHKJRCQF-ONEGZZNKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-105909
CN(CCCOc1ccccc2-c1c(C)cc2/C=C
/C(=O)Nc2c1cccc2)C	SCHEMBL13324695,PC-id_59301654	386.486	MDXQQVDDXMOTNN-LTGZKZEYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-105910
CN(CCCOc1ccccc2-c1c(C)cc2/C=C/1C(=O)Nc2c1cccc2)C	SCHEMBL3286867,PC-id_68581923	386.486	MDXQQVDDXMOTNN-PGMHBOJBSA-N	00000010100000100110000000001010000000000000000000000000	31-01-105911
COC(=O)c1cc(c2-c1ccc(cc2)C(C)(C)C)C(c1c[nH]cc1)c1c[nH]cc1	PC-id_100993726	386.486	KNPNXQRUOMIBQB-UHFFFAOYSA-N	00000010110000000110000000000010000000000000000000000000	31-01-105912
COC(=O)c1c(NC(=O)N2CCS(=O)(=O)CC2)sc2c1CCCCC2	EMOLS-id_110264139	386.486	WZUKJCZKYXUJIK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105913
O(c1c2-c(c(cc2C)C=C2c3c(NC2=O)cccc3)cccc1)CCCN(C)C	PC-id_68581925	386.486	MDXQQVDDXMOTNN-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-105914
O=C(Cc1ccc2-c1ccccc2)Nc1cccc(c1)C(=O)NC1CCCCC1	PC-id_139996490	386.486	AZJGZADEDGVNMY-UHFFFAOYSA-N	00000010100010110110000000000010000000000000000000000000	31-01-105915
O(C(=O)c1c2-c(c(C(c3[nH]ccc3)c3[nH]ccc3)c1)ccc(C(C)(C)C)cc2)C	PC-id_15440519	386.486	UTZPZGCCQHECSQ-UHFFFAOYSA-N	00000010110000000110000000000010000000000000000000000000	31-01-105916
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(c(C)c1C)OC	ZINC22_91486848,MCULE-3553841361,PC-id_72864736,EMOLS-id_46044621	386.488	FFGPLHJUVNLKDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105917
c1(cc(OC)ccc1OCCCN)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_426533782,PC-id_118780207,EMOLS-id_82724039,MCULE-5856337883	386.488	KYTYHXYUCWFRBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105918
CCc1ccc(CNC(=O)CC2CCc3nn(CCOC)c(=O)n3CC2)cc1	EMOLS-id_207877433,MCULE-9908612225	386.488	DKENSRMVICDYCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105919
CCC(c1nnc2n1CCCCC2)NC(=O)c1ccc(c(c1)OC)OC(C)C	PC-id_72147899,EMOLS-id_42871695,MCULE-5901265526	386.488	QWNNJKGRRYHXNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105920
CC(C)CCNC(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	EMOLS-id_207876665,MCULE-7463669467	386.488	VYZPZGKUJPXKGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105921
CC[C@H](NC(=O)c1ccc(OC(C)C)c(OC)c1)c1nnc2n1CCCCC2	PC-id_95789720,ZINC22_72318847	386.488	QWNNJKGRRYHXNF-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105922
CC[C@@H](NC(=O)c1ccc(OC(C)C)c(OC)c1)c1nnc2n1CCCCC2	PC-id_95789721,ZINC22_72318848	386.488	QWNNJKGRRYHXNF-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105923
CC(C)Oc1c(cc(cc1)CN1CCc2nn(c(=O)n2CC1)CC1CC1)OC	EMOLS-id_50585791,PC-id_91922468,MCULE-9664010991	386.488	RUUBSGDSOWRAHL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-105924
COc1ccc(cc1)C[C@@H]1CCc2cnnn2COC[C@@H](NC1=O)CC(C)C	CHEBI:128860,PC-id_54649857	386.488	ICBLCJRQBGPVQK-ROUUACIJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105925
COc1ccc(cc1)C[C@H]1CCc2cnnn2COC[C@@H](NC1=O)CC(C)C	CHEBI:129360,PC-id_54649856	386.488	ICBLCJRQBGPVQK-MSOLQXFVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105926
COc1ccc(cc1)C[C@H]1CCn2nnc(c2)COC[C@H](NC1=O)CC(C)C	CHEBI:127328,PC-id_54649847	386.488	XBRFMSFVCPUMGC-QZTJIDSGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105927
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccc(c(c1)OC)OC	PC-id_111213929	386.491	UIDXQUHSBDFWJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105966
COc1ccc(cc1)C[C@@H]1CCn2nnc(c2)COC[C@H](NC1=O)CC(C)C	CHEBI:127495,PC-id_54649848	386.488	XBRFMSFVCPUMGC-ZWKOTPCHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105928
COc1ccc(cc1)C[C@@H]1CCn2nnc(c2)COC[C@@H](NC1=O)CC(C)C	CHEBI:128312,PC-id_54649849	386.488	XBRFMSFVCPUMGC-ROUUACIJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105929
COc1ccc(cc1)C[C@H]1CCn2nnc(c2)COC[C@@H](NC1=O)CC(C)C	PC-id_54649850,CHEBI:128294	386.488	XBRFMSFVCPUMGC-MSOLQXFVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105930
COC(=O)COc1c(C)cc(cc1C)CNCCc1nnc2n1CCCCC2	PC-id_119111947	386.488	UHJUGUKJLPFEEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105931
O1C[C@@H](NC(=O)[C@@H](CCn2nncc2C1)Cc1ccc(OC)cc1)CC(C)C	PC-id_71760013	386.488	DFMXELOUOUTAGW-ROUUACIJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105932
O1C[C@@H](NC(=O)[C@H](CCn2nncc2C1)Cc1ccc(OC)cc1)CC(C)C	PC-id_71760123	386.488	DFMXELOUOUTAGW-MSOLQXFVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105933
O1C[C@H](NC(=O)[C@@H](CCn2nncc2C1)Cc1ccc(OC)cc1)CC(C)C	PC-id_71760191	386.488	DFMXELOUOUTAGW-ZWKOTPCHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105934
O1C[C@H](NC(=O)[C@H](CCn2nncc2C1)Cc1ccc(OC)cc1)CC(C)C	PC-id_71760825	386.488	DFMXELOUOUTAGW-QZTJIDSGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105935
O1CC(NC(=O)C(CCc2n(nnc2)C1)Cc1ccc(OC)cc1)CC(C)C	PC-id_76161102	386.488	ICBLCJRQBGPVQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105936
O1CC(NC(=O)C(CCn2nnc(C1)c2)Cc1ccc(OC)cc1)CC(C)C	PC-id_76161099	386.488	XBRFMSFVCPUMGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105937
O(c1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1OCCC)CCC	PC-id_51266321	386.488	WYDQSLZOYZBSNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105938
s1c2c(CCCCC2)c(c1NC(=O)c1cc2scnc2cc1)C(=O)OC	PC-id_3699257	386.488	UXAGLQGDLUIEKI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105939
s1c2c(CCCCC2)c(c1NC(=O)c1sc2c(n1)cccc2)C(=O)OC	PC-id_4582316	386.488	BTTIILPYZGZJFS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105940
CC/C=Cc1c(C)cnn1C(n1ncc2c1C=CCC=C2)C1=C(O)CC=CC=C1	PC-id_144519141	386.489	JQPJYVBAJLXNHX-PQMHYQBVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-105941
O=C(NCCc1n2CCCCCc2nn1)/C=C/c1cc(c2ccccc2)ccc1	PC-id_60551205	386.489	NRMYMOKMRCDLBN-BUHFOSPRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105942
O=C(NCCc1n2CCCCCc2nn1)C=Cc1cc(c2ccccc2)ccc1	PC-id_76867487	386.489	NRMYMOKMRCDLBN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-105943
c1(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cn(nc1C)CCO	ZINC22_91474498,MCULE-4890683824,EMOLS-id_46043495,PC-id_72863202	386.491	SUYVSEQILRPWKK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-105944
c1(C(=O)N2CCCC(C2)c2onc(CC(C)C)n2)cc2n(CCCN(C)C2)n1	EMOLS-id_32408184,PC-id_50969273,MCULE-6778637110	386.491	GTTNUADSMQNPSE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-105945
c1(C(=O)N2CCOCC2)cc2n(CCCN(Cc3cc([nH]n3)CC(C)C)C2)n1	PC-id_50976313,ZINC22_67868341,MCULE-2706702619,EMOLS-id_32421400	386.491	XNWTTXZRWPWYAE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105946
c1(C(=O)NCc2cc3n(CCCN(C3)C(=O)N(C)C)n2)cc(n(CC)c1C)C	MCULE-7331378542,PC-id_72847623,ZINC22_91304828,EMOLS-id_46032331	386.491	VQQTWISZWLKPEO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-105947
c
(=N/C(=O)Cn2c(=O)ccc(c3cccs3)n2)/sc2c(CCCCC2)[nH]1	EMOLS-id_46560926,ZINC22_61718493,STOCK7S-12664,EMOLS-id_35784435,MCULE-6125586876,PC-id_52898682	386.491	XYLDHKOYEIWUQZ-UHFFFAOYSA-N	00000000100100100101100000000010000000000000000000000000	31-01-105948
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc2c(c1)sc(n2)NC(=O)C	EMOLS-id_323482941,MCULE-8279075200	386.491	LBNGEABTAODVGQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-105949
CCC(c1nnc2n1CCCCC2)NC(=O)c1nn(cc1C)C1CCOCC1	EMOLS-id_318175918	386.491	ZOAGKIUYLLLULE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-105950
CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)n1	PC-id_95131505,ZINC22_65424918	386.491	GTTNUADSMQNPSE-OAHLLOKOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-105951
CC(C)Cc1noc([C@H]2CCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)n1	ZINC22_65424921,PC-id_95131506	386.491	GTTNUADSMQNPSE-HNNXBMFYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-105952
CC(C(=O)NCc1ccco1)N1CCN(CC1)Cc1nnc2n1CCCCC2	MCULE-6300069336,PC-id_51112338,EMOLS-id_33342574	386.491	PZOSXLCCIAIHOM-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-105953
C[C@H](C(=O)NCc1ccco1)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_52532315,ZINC22_58391233	386.491	PZOSXLCCIAIHOM-MRXNPFEDSA-N	00000000101010000101000000000010000000000000000000000000	31-01-105954
C[C@@H](C(=O)NCc1ccco1)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_58391230,PC-id_52532314	386.491	PZOSXLCCIAIHOM-INIZCTEOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-105955
CCn1nc2c(c1C(=O)N(C)Cc1nnc3n1CCCCC3)C[C@H](C)O[C@@H]2C	PC-id_146100307,ZINC22_1875314132,EMOLS-id_324064586,MCULE-5932825758	386.491	IXCSEUIYSOMUIR-UONOGXRCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105956
CCNC(=NCc1ccc(c(c1)OC)OC)NCc1nnc2n1CCCCC2	PC-id_111201754	386.491	SRHYUUPISVIWNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105957
CCNC(=NCc1ccc(cc1OC)OC)NCc1nnc2n1CCCCC2	PC-id_111878883	386.491	YMZBXDSUORFMNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105958
CCNC(=NCc1nnc2n1CCCCC2)Nc1ccc(c(c1)OCC)OC	PC-id_109578201	386.491	HSFCGRHWODCPJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105959
CCNC(=NCc1nnc2n1CCCCC2)Nc1ccc(c(c1)OC)OCC	PC-id_109581179	386.491	TYZPFVUDZWYFKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105960
CN1CCCC(C1)C(=O)NCCc1nnc2n1CCN(CC2)Cc1cocc1	ChEMBL-DNDi_CHEMBL42938862	386.491	HXFXVCYBTJSFMG-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-105961
Cn1nc2CCC(CCn2c1=O)NC(=O)c1n[nH]c2CCC(Cc12)C(C)(C)C	EMOLS-id_50588411,PC-id_91910832,MCULE-9159666016	386.491	YGOLFLUPCGFOBX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105962
CN(C)CCOc1cc(CNC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)ccn1	MCULE-4413586460,ZINC22_606444953,EMOLS-id_177303788	386.491	QDYZYMVAODOBKC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-105963
CN=C(Nc1ccc(c(c1)OC)OC)NCCCc1nnc2n1CCCCC2	PC-id_109571725	386.491	HISCOBBIRNTHQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105964
CN=C(NCc1ccc(c(c1)OC)OC)NCCc1nnc2n1CCCCC2	PC-id_111200608	386.491	QHTCVGNFGOQPGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105965
CN=C(NCc1nnc2n1CCCCC2)NCC(Oc1ccccc1OC)C	PC-id_111682180	386.491	VGWRDIUYWQSQKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105967
CN(C(=O)c1cccn1CCN1CCOCC1)Cc1nnc2n1CCCCC2	EMOLS-id_319815740	386.491	UWRQNBACFDGJQU-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-105968
COc1ccc(cc1OC)CCNC(=NCCc1nnc2n1CCCCC2)N	PC-id_111039153	386.491	ZXLKFFBTOWGBRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105969
COc1ccc(cc1OC)CN=C(NCCCc1nnc2n1CCCCC2)N	PC-id_111093771	386.491	ZBQURQQRSLJLCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105970
COc1ccc(c(c1)OC)CN(C(=NC)NCc1nnc2n1CCCCC2)C	PC-id_111296633	386.491	QVIVXIGFIPALHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105971
COc1cccc(c1)OC(CNC(=NC)NCc1nnc2n1CCCCC2)C	PC-id_111678942	386.491	COPYLBQSBRBLSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105972
COc1ccc(cc1)OCCNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111410249	386.491	UACBCDXBILSYSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105973
COc1ccc(c(c1)OC)CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111879013	386.491	DDQJPLUSQJHXNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105974
COCCCOc1cccc(c1)NC(=NC)NCc1nnc2n1CCCCC2	PC-id_109460008	386.491	KYOHIHJBVWBXLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105975
o1c([C@H](N2CCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52272266	386.491	NVSLCCHUCJNOIW-MRXNPFEDSA-N	00000010101000000101000000000010000000000000000000000000	31-01-105976
o1c([C@@H](N2CCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52272268	386.491	NVSLCCHUCJNOIW-INIZCTEOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-105977
o1c(C(N2CCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_75817969	386.491	NVSLCCHUCJNOIW-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-105978
o1nc(nc1C1N(CCC1)C(=O)c1nn2c(CN(CCC2)C(C)C)c1)C(C)C	PC-id_50975580	386.491	WSAGDJIFVYATKG-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-105979
O=C(c1cccn1CCN1CCOCC1)NCCc1nnc2n1CCCCC2	EMOLS-id_319683166	386.491	ARPPIWAZBIDXNQ-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-105980
O=C(c1nn(cc1C)C1CCOCC1)NCCCc1nnc2n1CCCCC2	EMOLS-id_316414322,MCULE-1069488073	386.491	SUCRVMBZWDCDBV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-105981
OC(=O)CN1Cc2n(nc(CN3CCC(CC3)Cn3c(ncc3)C)c2)CCC1	PC-id_56889847,MCULE-3614167439,EMOLS-id_43088945	386.491	CSORTZOHUFRZGD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105982
s1c2CCCCCc2cc1C(=O)Nc1scc(n1)c1cc([nH]c1)C(=O)N	PC-id_55530798	386.491	RZDVIPJBKFWQBJ-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-105983
S(CCn1c2c(nc1)c(=O)nc([NH+](Cc1c(cccc1)C)C)[nH]c2=O)CC	PC-id_31105016	386.491	YALJKDYKGNYDFX-UHFFFAOYSA-O	00000000100000110111000000000010000000000000000000000000	31-01-105984
Cc1c(nc2n1CCN(CC2)Cc1cnc[nH]1)C=C(C)c1cc2c(cc1)[nH]cc2	PC-id_90726335	386.493	NLPYXZPVNUJSKV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-105985
CCC(c1nnc2n1CCCCC2)NC(=O)N1C[C@H]([C@@H](C1)N)c1cnn(c1)C	EMOLS-id_102152613	386.494	OKACAYCNWKXWHF-QMRHZFGWSA-N	00000010100000000101100000000010000000000000000000000000	31-01-105986
O=C(N1CCn2c(C1)nnc2C(C)(C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_318010937	386.494	XVSMHHZFUMOONI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-105987
O=C(NCc1nn2CCCN(Cc2c1)Cc1cnc(nc1)NCCC)N(C)C	PC-id_70760285	386.494	ASUQNZGGLFMHMV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-105988
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)Cc1ccon1	PC-id_109504707	386.495	ARHMYXHXTZVAPJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-105989
CCNC(=NCc1nnc2n1CCCCC2)N1CCOC(C1)c1cnn(c1)C	PC-id_109535030	386.495	DQUAUMUMEMLBCR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-105990
CN=C(N1CCOC(C1)c1cnn(c1)C)NCCc1nnc2n1CCCCC2	PC-id_109533992	386.495	LOEIDRFEQUYSMW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-105991
s1c2CCCCCc2c(c1NC(=O)CC[NH+](Cc1ccc(F)cc1)C)C#N	PC-id_9251724	386.506	YNZSWVBBTXRWMX-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-105992
c
(=N/C(=O)c2ccccc2C(=O)O)/sc2c(CCCCCCCCCC2)[nH]1	EMOLS-id_4617260,STOCK4S-67309,EMOLS-id_46543441,ZINC22_1889371,PC-id_1629952,MCULE-3975792401	386.508	VTEMDEMYUQOWDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-105993
c1(NC(=O)c2ccc(cc2)OCCCC)sc2c(CCCCC2)c1C(=O)N	Chemmine_5661,ZINC22_2117685,PC-id_1772279,EMOLS-id_1776578,SPECS-id_AL-281/40679273,CoCoCo_787296,MCULE-4346483017	386.508	QSRHXGNCDNBSDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105994
c1(NC(=O)CCc2ccc(cc2)OC)sc2c(CCCCCC2)c1C(=O)N	PC-id_2163458,TIMTEC559844,CoCoCo_684965,EMOLS-id_1996518,ZINC22_2737156,MCULE-8256983754,ChEMBL-DNDi_CHEMBL5704455	386.508	XWJDONBPJXAGHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105995
c1(NC(=O)C(C)Oc2ccc(cc2)CC)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_4064479,TIMTEC386378,PC-id_4635227,MCULE-5471523901	386.508	PQRBEWXRNGRKPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105996
c1(NC(=O)CNCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	BAS-00832278,CoCoCo_138167,PC-id_1047291,MCULE-2903435725,EMOLS-id_1280426,ZINC22_55212200	386.508	NCAKCTVBELEJGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-105997
c1(sc2c(CCCCC2)n1)NC(=O)C1(CCOCC1)c1ccc(cc1)OC	PC-id_56762304,STOCK7S-22425,ZINC22_71285898,MCULE-7682362905,EMOLS-id_36513913	386.508	WOVNZNYPVBSLSO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-105998
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CN1CCCc2sccc2C1=O	ZINC22_84129084,PC-id_97005017	386.508	LYHJIOXDHQEYFJ-INIZCTEOSA-N	00000000100010000100000000010010000000000000000000000000	31-01-105999
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CN1CCCc2sccc2C1=O	ZINC22_84129085,PC-id_97005018	386.508	LYHJIOXDHQEYFJ-MRXNPFEDSA-N	00000000100010000100000000010010000000000000000000000000	31-01-106000
CCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	CoCoCo_6799131,PC-id_40719707,ZINC22_8201084	386.508	PQRBEWXRNGRKPZ-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106001
CCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	PC-id_40719704,CoCoCo_6799132,ZINC22_8201059	386.508	PQRBEWXRNGRKPZ-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106002
CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	PC-id_20166084,ZINC22_6828772	386.508	PXXMGGLCFYLWHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106003
CCCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1	PC-id_20166066,ZINC22_6853725	386.508	IEOZDWVYQNTUTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106004
CC(C)COc1cccc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1	PC-id_20166067,ZINC22_6827298	386.508	MUFCVDYKFOWRQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106005
CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	ZINC22_408629197	386.508	PJTNRYKZGLMQDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106006
CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc2c(s1)CCCCC2	ZINC22_3344897,CoCoCo_3357183,MCULE-8640314865,EMOLS-id_3341259,PC-id_2461466	386.508	MJXSVCAOOZQNTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106007
CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_24118620,CoCoCo_3356799,ChEMBL-DNDi_CHEMBL1593987,MCULE-9169623918,PC-id_24978855,ZINC22_12900026	386.508	QSYBRLRDDKSVLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106008
CCOc1ccc(NC(=O)c2c(NC(=O)CC)sc3c2CCCCC3)cc1	ChEMBL-DNDi_CHEMBL2501-0847,PC-id_1047281,CoCoCo_1702875,MCULE-3300115297,ZINC22_722310	386.508	VSLUIINRVRQHHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106009
CCOCCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCC2	PC-id_143517875	386.508	KRUUVLTUISKOIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106010
CN(C)C(=O)COc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1	MCULE-5931935169,ZINC22_29233345,EMOLS-id_25667919,PC-id_36420191,CoCoCo_4786687	386.508	UJSAZSVYBICKLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106011
[N+](=C1C=CC(=C(c2c3-c(cc2)ccccc3)c2c3-c(cc2)ccccc3)C=C1)(C)C	PC-id_15778693	386.508	SKVVFZJEFOBHDK-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-106012
O=C(c1cc2c(s1)CCCCC2)NCc1ccnc(c1)OC1CCOCC1	EMOLS-id_99062324	386.508	WXOKQVKMXOZSSD-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-106013
O=C(c1ccccc1O)Nc1sc2c(c1C(=O)NC(C)(C)C)CCCCC2	PC-id_145975358	386.508	AEOVGNMLTZVBHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106014
O=C(C1(CCOCC1)OCc1ccccc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_100935036	386.508	MSBXRFXRJGQUGU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106015
O=C(c1noc2c1CCCCC2)Nc1cccc(c1)CSC1CCOCC1	EMOLS-id_101046871	386.508	MMRAMWRCAXEZQS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106016
O=C(NC1CC(C)(C)Cc2c1cc(o2)C)CN1CCCc2c(C1=O)ccs2	PC-id_71878190,EMOLS-id_44566554,MCULE-1079123447	386.508	LYHJIOXDHQEYFJ-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-106017
O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc2c(s1)CCCCCC2	ZINC22_11527930,PC-id_16613546,EMOLS-id_31374463,MCULE-2721533692	386.508	VLKRMHLLRYTWID-UHFFFAOYSA-N	00000000101010000100000000000010000000000000000000000000	31-01-106018
s1c2CCCCCc2cc1C(=O)NN=Cc1c(OC(C)C)c(OC)ccc1	PC-id_78620800	386.508	AMFHDIBDJOSESB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106019
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(COC(C)C)cc1	PC-id_8624149	386.508	DNCPXADTFYMENY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106020
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1ccc(OCC)cc1	PC-id_60572624	386.508	ZMXKDSGPZJREIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106021
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1c(OCC)cccc1	PC-id_24554085	386.508	CYAGDCXHHZWFBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106022
s1c2CCCCCc2cc1C(=O)OCC(=O)NCc1ccc(N(C)C)cc1	PC-id_8333501	386.508	BLIRGEMPZXEFAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106023
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OC(C)C)cc1)C(=O)NC	PC-id_7475112	386.508	PAGYURQONUXPEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106024
s1c2CCCCCc2c(c1NC(=O)COC(=O)CC1C2CC(C1)CC2)C#N	PC-id_24355632	386.508	HTINWWMEIMWTIC-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-106025
s1c2CCCCCc2c(c1NC(=O)COC(=O)C[C@H]1[C@H]2C[C@@H](C1)CC2)C#N	PC-id_41961105	386.508	HTINWWMEIMWTIC-ZNMIVQPWSA-N	00000010100010000100000000000110000000000000000000000000	31-01-106026
s1c2CCCCCc2c(c1NC(=O)COC(=O)C[C@@H]1[C@H]2C[C@@H](C1)CC2)C#N	PC-id_41961106	386.508	HTINWWMEIMWTIC-RRFJBIMHSA-N	00000010100010000100000000000110000000000000000000000000	31-01-106027
s1c2CCCCCCc2cc1C(=O)Nc1cc(ccc1OC)C(=O)N(C)C	PC-id_52407961	386.508	QLQBIIFAUGXNAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106028
s1c2CCCCCCc2cc1C(=O)Nc1ccc(OCC(=O)NCC)cc1	PC-id_32936676	386.508	XVSJKFJKDJWFRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106029
s1c2c(CCCCCC2)cc1C(=O)NC1CCN(CC1)C(=O)c1ccoc1	PC-id_38212658	386.508	LDRSODKMKXAKQG-UHFFFAOYSA-N	00000000101010000100000000000010000000000000000000000000	31-01-106030
s1c2CCCCCCc2cc1C(=O)NCCCNC(=O)c1cc(O)ccc1	PC-id_56322295	386.508	LCHHGAKYNBMTMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106031
s1c2CCCCCCc2cc1C(=O)NCCNC(=O)c1ccc(OC)cc1	PC-id_52698907	386.508	MGGIZVFONNKQLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106032
s1c2CCCCCCc2cc1C(=O)N(CC(=O)Nc1ccc(OC)cc1)C	PC-id_9426408	386.508	GARSVGATYWRIJY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106033
s1c2CCCCCCc2cc1C(=O)N(CC(=O)Nc1cc(OC)ccc1)C	PC-id_9162004	386.508	FIKISVHAIPLLHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106034
s1c2CCCCCCc2cc1C(=O)NCC(=O)Nc1c(OC)ccc(c1)C	PC-id_46636509	386.508	JEFFWCFHGGJVJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106035
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1ccc(OC)cc1	PC-id_43004089	386.508	GBVMOVMVRMPXEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106036
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1c(OC)cccc1	PC-id_9441591	386.508	SVGRAXRBYJOCPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106037
s1c2c(CCCCCC2)c(c1NC(=O)C(Oc1ccccc1)CC)C(=O)N	PC-id_4100650	386.508	YBJHHFQSHVFEIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106038
s1c2c(CCCCCC2)c(c1NC(=O)Nc1ccccc1)C(=O)OC(C)C	PC-id_16043292	386.508	FECMYDWWUNWSHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106039
s1c2CCCCCCc2nc1NC(=O)COc1ccc(CCC(=O)C)cc1	PC-id_56176433	386.508	IGTLLFHTWRDPQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106040
c1(C#N)c2CCCCCc2sc1N=Cc1ccc(cc1)OCc1ccccc1	PC-id_8146098,MCULE-7950275946	386.509	JWOYACOKMCFPKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106041
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCCCC2)c1C#N	SCHEMBL4693720,TIMTEC444876,PC-id_2132731,MCULE-2791665780,EMOLS-id_2943798,CoCoCo_3268396,ZINC22_2679652	386.509	SEBOYKYRVIPCAC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106042
CC1(C)CC(C(O1)(C)C)CN(S(=O)(=O)C)Cc1nnc2n1CCOCC2	EMOLS-id_320276437,MCULE-9384789715	386.509	PYCOZLOGAAALQP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106043
CC1(C)C[C@H](CN(Cc2nnc3n2CCOCC3)S(=O)(=O)C)C(C)(C)O1	ZINC22_1615551816	386.509	PYCOZLOGAAALQP-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106044
CC1(C)C[C@@H](CN(Cc2nnc3n2CCOCC3)S(=O)(=O)C)C(C)(C)O1	ZINC22_1615551831	386.509	PYCOZLOGAAALQP-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106045
C=C(Nc1nc2c(s1)C=CCC=C2)Cc1ccc(cc1)OCc1ccccc1	PC-id_143053318	386.509	BYZKNDLCCCGGPJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-106046
CCNC(=NCc1ccc(c(c1)C)F)NCCCc1nnc2n1CCCCC2	PC-id_111854010	386.509	KVAMCKJBCHYSBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106047
CCNC(=NCc1ccc(c(c1)F)C)NCCCc1nnc2n1CCCCC2	PC-id_111846793	386.509	FOJYFAJKDMUCIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106048
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1cccc(c1)F)(C)C	PC-id_111625536	386.509	BVVMOYAAYBPERI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106049
CCNC(=NCCc1nnc2n1CCCCC2)NC(c1ccc(c(c1)F)C)C	PC-id_109658357	386.509	GTEQDZPSNPXQDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106050
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc(cc1C)F	PC-id_109583933	386.509	TWRUERVDDIAWQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106051
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1cccc(c1)F)C	PC-id_111285519	386.509	JRQKNNGOHBZWJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106052
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)F)C	PC-id_111307042	386.509	JLYQFSSMFDKFTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106053
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccc(cc1)F	PC-id_111229475	386.509	XYAVSYGRCYUHSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106054
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccccc1F	PC-id_111361927	386.509	QOLJTTZMPVWESD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106055
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1cccc(c1)F	PC-id_111395515	386.509	BQUIPLCTCAWWNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106056
CN=C(NC(c1ccc(c(c1)F)C)C)NCCCc1nnc2n1CCCCC2	PC-id_109657449	386.509	NLPVNQCBXZDDSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106057
CN=C(NCCc1ccc(cc1C)F)NCCCc1nnc2n1CCCCC2	PC-id_109584369	386.509	UCZHSOQJVCDZMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106058
CN=C(NCC(c1cccc(c1)F)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111625292	386.509	QIGXJZDQKQXZLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106059
N#Cc1c2CCCCCc2sc1/N=C/c1ccc(OCc2ccccc2)cc1	CoCoCo_6885648,EMOLS-id_45929593,SPECS-id_AG-205/32426013,PC-id_11835795,ZINC22_6999028	386.509	JWOYACOKMCFPKF-WGOQTCKBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106060
N#Cc1c(/N=Cc2ccc(cc2)OCc2ccccc2)sc2c1CCCCC2	CoCoCo_6885649	386.509	JWOYACOKMCFPKF-QQXSKIMKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106061
s1c2CCCCCc2c(c1NC(=O)c1ccc(Cc2ccccc2)cc1)C#N	PC-id_4577837	386.509	WGLFKWAQNWGXBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106062
s1c2CCCCCCc2c(c1NC(=O)c1ccc(cc1)c1ccccc1)C#N	PC-id_3390411	386.509	SVYFOSLQOABQMS-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-106063
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)CCc1ccsc1	EMOLS-id_46053105,ZINC22_91593157,MCULE-1557347659,PC-id_72876551	386.511	QIOZYDNKESRCNC-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-106064
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1csc(C(=O)C)c1	MCULE-3701531282,EMOLS-id_46090741,PC-id_72928213,ZINC22_91997459	386.511	VJBVVXWUYLRKJV-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-106065
c12CN(CCCn1nc(CNC(=O)c1ccc(CC)s1)c2)C(=O)C1CCC1	EMOLS-id_46078371,ZINC22_91820266,MCULE-5496917837,PC-id_72911216	386.511	YSJVJVFJGCOFIC-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-106066
c12CN(CCCn1nc(CNC(=O)c1csc(CC)c1)c2)C(=O)C1CCC1	PC-id_72866351,ZINC22_91518635,MCULE-2142528765,EMOLS-id_46045745	386.511	BUFDGBCPWSPLRO-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-106067
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c1(NC(=O)CCC(=O)Nc2ccc(cc2)N(C)C)sc2c(CCCCC2)n1	MCULE-6529356492,EMOLS-id_335016821	386.511	KZGFAFUHIOKDLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106069
c1(NC(=O)CCC(=O)Nc2cccc(N(C)C)c2)sc2c(CCCCC2)n1	MCULE-7094302873,EMOLS-id_334963843	386.511	WKXBYEJGUNRLGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106070
Cc1cc(cc(c1C)S(=O)(=O)N1CCCn2nc(cc2C1)C#N)C(C)(C)C	EMOLS-id_316200095,ZINC22_1506395860,MCULE-2299794128	386.511	AMFSICHDJPPBMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106071
Cc1cc(n(n1)C)N1CCC(C1=O)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_99712250	386.511	YJXRTZILTAIGJR-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-106072
CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)/C=C/c1cccs1)CCC2	ZINC22_1565555223,EMOLS-id_313789496	386.511	BJEMSWFCNYBUPO-BQYQJAHWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-106073
CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc3n2CCCCC3)cc1	ZINC22_8272532,PC-id_9400620,CoCoCo_3854840	386.511	JSXAQFYLLWXFTK-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106074
CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc3n2CCCCC3)cc1	ZINC22_8272537,CoCoCo_3854841,PC-id_9400625	386.511	JSXAQFYLLWXFTK-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106075
CC(CNC(=O)c1nc2c(s1)CCN(CC2)C(=O)NCc1ccccc1)C	PC-id_97442505	386.511	XCBYPSRRZMJDKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106076
CC(C(=O)Nc1ccc(cc1)/C(=C(/Sc1nnc2n1CCCCC2)C)/O)C	CoCoCo_3854843,CoCoCo_3854845,CoCoCo_3854842,CoCoCo_3854844	386.511	MCQWJIIOOCIACN-JXAWBTAJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106077
CC(C(=O)Nc1ccc(cc1)C(=O)C(Sc1nnc2n1CCCCC2)C)C	PC-id_16321889,MCULE-7745856035,EMOLS-id_43906707	386.511	JSXAQFYLLWXFTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106078
CCN(CC)C(=O)c1nc2CCN(CCc2s1)C(=O)NCc1ccccc1	PC-id_97442576,EMOLS-id_44304074,ZINC22_96147052	386.511	LQBOYNASQPNDBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106079
Cn1ccc(n1)N1CCCC(C1=O)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_99671243	386.511	GPADXTKGUBEEGU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-106080
CN[C@@H](C)C(=O)Nc1nc2c(s1)CCCCC2C(=O)NCc1ccccc1	PC-id_45487880,CHEMBL566028	386.511	IGWDIUYQUQJIRL-CFMCSPIPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106081
COc1ccccc1N1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825098	386.511	ZDUPJBYPPJYKQP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106082
COCCC(=O)N[C@H](c1nnc2n1CC[N@H+](CC2)CCCc1ccccc1)C	GD-id_ZINC11983362	386.511	KUCTXCHTRLPLKI-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-106083
n1c(CNC(=O)N2CCCC(C2)C(=O)c2cccs2)c2c(CCCCC2)[nH]1	EMOLS-id_177370780,MCULE-4739443471,PC-id_121495924	386.511	FIDACGIDJNOTEK-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106084
N#Cc1c(NC(=O)CCN2CCN(C(=O)C2)C2CC2)sc2c1CCCCC2	EMOLS-id_97784104	386.511	ZDGQERPWVJNRIA-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-106085
N#Cc1c(NC(=O)CCN2CC(=O)N(C2)CC2CC2)sc2c1CCCCC2	EMOLS-id_100920813	386.511	HUOJSFPDIKYSFX-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-106086
N#Cc1c(NC(=O)C(N2CCN(C(=O)C2)C2CC2)C)sc2c1CCCCC2	EMOLS-id_97782589	386.511	PWTZOUDDNGBPTQ-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-106087
N#Cc1c(NC(=O)C(N2CC(=O)N(C2)CC2CC2)C)sc2c1CCCCC2	EMOLS-id_100916319	386.511	AKARXEUJGPYXBW-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-106088
O=C(c1cccs1)[C@H]1CCCN(C(=O)NCc2n[nH]c3c2CCCCC3)C1	ZINC22_426387031	386.511	FIDACGIDJNOTEK-AWEZNQCLSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106089
O=C(c1cccs1)[C@@H]1CCCN(C(=O)NCc2n[nH]c3c2CCCCC3)C1	ZINC22_426387032	386.511	FIDACGIDJNOTEK-CQSZACIVSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106090
O=C(CSc1nnc2n1CCCCC2)N(Cc1ccco1)C1=CCCCC1	EMOLS-id_12012092,CoCoCo_3933819,ZINC22_8724209,MCULE-2845831067,PC-id_17431912	386.511	HBFKRCILNJDSNF-UHFFFAOYSA-N	00000000101011000101000000000010000000000000000000000000	31-01-106091
O=C(N1CCC(CC1)Oc1ccncc1C)Nc1nc2c(s1)CCCCC2	EMOLS-id_101145527	386.511	HQLUZSIVAIBSDP-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-106092
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccc(cc1)NC(=O)C(C)C	PC-id_112825065	386.511	FEPZRRUTURNFER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106093
O=C(Nc1sc2c(n1)CCCCCC2)NC1CCOC(C1)c1ccncc1	EMOLS-id_101432037	386.511	XFVPZATWMUNKHK-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-106094
O=C(Nc1sc2c(n1)CCCCCC2)NCC(=O)Nc1c(C)cccc1C	EMOLS-id_101101049	386.511	RIZXUFXNTPQWDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106095
O=C(Nc1sc2c(n1)CCCCCC2)N[C@@H]1CCO[C@H](C1)c1ccccn1	EMOLS-id_101430732	386.511	UAQACQUOZYGZAD-RHSMWYFYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-106096
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cc(cc1)C)C)C)CCOC	PC-id_74844347	386.511	AGUKEAGFDUGFRG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-106097
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccccc1)CC(C)C)COC	PC-id_74844883	386.511	VPDAKTSYRCQIAK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-106098
O=C(NC(c1n2CC[NH+](CCc2nn1)CC(=CC)C)CC(C)C)c1occc1	PC-id_74807404	386.511	VREPFKMYUSXGDU-UHFFFAOYSA-O	00000000101000000101000000000010000000000000000000000000	31-01-106099
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(cc1)C)C)C)CCOC	PC-id_42341826	386.511	AGUKEAGFDUGFRG-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-106100
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(cc1)C)C)C)CCOC	PC-id_42341828	386.511	AGUKEAGFDUGFRG-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-106101
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccccc1)CC(C)C)COC	PC-id_42344556	386.511	VPDAKTSYRCQIAK-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-106102
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccccc1)CC(C)C)COC	PC-id_42344559	386.511	VPDAKTSYRCQIAK-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-106103
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C(=C/C)/C)CC(C)C)c1occc1	PC-id_42482867	386.511	VREPFKMYUSXGDU-RPDKKYPRSA-O	00000000101000000101000000000010000000000000000000000000	31-01-106104
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C(=C/C)/C)CC(C)C)c1occc1	PC-id_42482869	386.511	VREPFKMYUSXGDU-DNIVAWAASA-O	00000000101000000101000000000010000000000000000000000000	31-01-106105
s1c2CCCCCc2cc1C(=O)NNC(=O)NCCN(c1ccccc1)C	PC-id_78886142	386.511	WPBYNHWNMBQCTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106106
s1c2CCCCC(c2nc1NC(=O)C(NC)C)C(=O)NCc1ccccc1	PC-id_75117009	386.511	IGWDIUYQUQJIRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106107
s1c2CCCCCc2nc1NC(=O)C(NC(=O)Nc1ccccc1)C(C)C	PC-id_55507285	386.511	CTOUSIYATHYOIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106108
s1c2CCCCCCc2nc1NC(=O)c1ccc(NC(=O)NC(C)C)cc1	PC-id_56022103	386.511	WALRHOQZJJKUQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106109
s1c2CCCCCCc2nc1NC(=O)CC(NC(=O)N)c1c(cccc1)C	PC-id_56020833	386.511	VYOXALRIEZTFJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106110
S(c1n2CCCCCc2nn1)CC(=O)c1ccc(NC(=O)CC(C)C)cc1	PC-id_7876999	386.511	PRYMUNIZQKMNBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106111
S(c1n2CCCCCc2nn1)CC(=O)c1ccc(NC(=O)C(C)(C)C)cc1	PC-id_8320237	386.511	OEYNBMIKHJYAQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106112
S(CC(=O)N(C1CC1)Cc1ccc(OC)cc1)c1n2CCCCCc2nn1	PC-id_8379376	386.511	SSXNCUICPVBMME-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-106113
c1(NC(=O)Cc2csc(NS(=O)(=O)C)n2)sc2c(CCCCC2)n1	EMOLS-id_323476814,MCULE-7927252825	386.513	OGXNQTPMJUYCFE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106114
CC(=O)Nc1ncc(s1)S(=O)(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99325816	386.513	NMUCUWBQLRBPHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106115
CSc1nc(C)c(S(=O)(=O)NC(=O)c2n[nH]c3c2CCCCC3)s1	ZINC22_2325841495	386.513	XELSPWQVALFGIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106116
Nc1nccc(n1)C1CCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98444630	386.514	GWFRPZQLVLZMEW-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-106117
O=C(N1CCCc2c(C1)cnn2C)NCc1ccnc(c1)N1CCSCC1	EMOLS-id_317982461	386.514	AFMXRXZEAWNKSR-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-106118
S(c1ncccc1C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)C	PC-id_51304057	386.514	ZNYCRJKVPDNPHA-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-106119
CCCC(=O)OC/C/1=CCCc2coc(c2)C/C(=C/C[C@@H](CC1)C(=C)CO)/C	UNPD59819	386.524	UXAONLIRDJFJAK-WMFBPPSZSA-N	00000000100000000110000000000010000000000000000000000000	31-01-106120
CCCC(=O)OCC(=C)[C@H]1CC/C(=C/CCc2cc(C/C(=C/C1)/C)oc2)/CO	UNPD191126	386.524	LQHUFQYTARWUPY-PNLPSNPLSA-N	00000000100000000110000000000010000000000000000000000000	31-01-106121
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Fc1ccc(cc1)N1CCC(CC1)N(C(=O)c1cc2c(s1)CCCCC2)C	PC-id_86887443	386.526	QLTDCXVMVOMIMO-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-106124
O=C(C(S(=O)(=O)C1CCOCC1)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100371855	386.529	KSOBQKNHSOBMQJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106125
Ic1c(C(=O)Nc2sc3CCCCCc3n2)ccc(Cl)c1	PC-id_38938347	432.707	UDNTYWIJVDWZHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130657
S(=O)(=O)(C(C)C(=O)NNC(=O)c1sc2CCCCCCc2c1)CCC	PC-id_60572545	386.529	WDQWHPPKUZPWFX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-106126
c1(NC(=O)CCSc2ccc(cc2)OC)sc2c(CCCCC2)c1C#N	EMOLS-id_5625236,CoCoCo_5190273,PC-id_8907459,ZINC22_7790286,MCULE-4474849545	386.531	IOYVHMSGSWCUGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106127
CCN(C(=O)CO)CC1CCC(CC1)N(C1=c2cc[nH]c2=NC=C(C1)CC)C	PC-id_145596845	386.531	RZUCMDAKTRUVSW-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-106128
C[NH+](Cc1cccc(c1)NC(=O)C(=O)NCc1cc2c(s1)CCCCC2)C	GD-id_ZINC51809227	386.531	OHHKBIXORMANJV-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-106129
C[NH+](CCNC(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2)C	GD-id_ZINC31464205	386.531	VRWYQHJQPWSFCR-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-106130
C[NH+](CC(=O)Nc1cccc(c1)CNC(=O)c1cc2c(s1)CCCCC2)C	GD-id_ZINC46040039	386.531	YNHWEKAFNAZQLP-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-106131
O=C(NC1CCC(CC1)C(=O)N1CCCc2c(C1)cnn2C)CC1CCCC1	EMOLS-id_101671358	386.531	QXRKRWLVPRVAHJ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-106132
s1c2CCCCCc2cc1C(=O)NCc1c[nH+]c(N2C[C@H](OCC2)C)cc1	PC-id_52242841	386.531	HETZJAREAFQRLF-OAHLLOKOSA-O	00000000100010101101100000000010000000000000000000000000	31-01-106133
s1c2CCCCCc2cc1C(=O)NCc1c[nH+]c(N2C[C@@H](OCC2)C)cc1	PC-id_52242843	386.531	HETZJAREAFQRLF-HNNXBMFYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-106134
s1c2CCCCCc2cc1C(=O)NCc1c[nH+]c(N2CC(OCC2)C)cc1	PC-id_75811742	386.531	HETZJAREAFQRLF-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-106135
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1cc(OC)ccc1)C)C#N	PC-id_35042057	386.531	UUMGBLOPMBOZHU-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106136
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1cc(OC)ccc1)C)C#N	PC-id_35042060	386.531	UUMGBLOPMBOZHU-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106137
s1c2CCCCCc2c(c1NC(=O)C(Sc1ccc(OC)cc1)C)C#N	PC-id_60265731	386.531	DGRZRSUHKDKKBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106138
s1c2CCCCCc2c(c1NC(=O)C(Sc1cc(OC)ccc1)C)C#N	PC-id_85494364	386.531	UUMGBLOPMBOZHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106139
s1c2CCCCCc2c(c1NC(=O)C(Sc1c(OC)cccc1)C)C#N	PC-id_60594037	386.531	DSRIPADTSMRMFD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106140
s1c2c(CCCCC2)c(c1NC(=S)N1CCc2c1cccc2)C(=O)OC	PC-id_19686670	386.531	MNSTYXIZXKCGSW-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-106141
s1c2CCCCCCc2cc1C(=O)NCc1cc(N2CCOCC2)[nH+]cc1	PC-id_32584478	386.531	YLTDSITYZKELNP-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-106142
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1Sc2c(C1)cccc2	PC-id_55494642	386.531	SEQNRQQJEPUQDN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-106143
S(=O)(=O)(c1c2-c(cc(ccc2C)C(C)C)c(c1)C)N/N=Cc1sccc1	CHEMBL1837009	386.531	YDXPTSYGSYLEPS-MTJSOVHGSA-N	00000010100100000110000000000010000000000000000000000000	31-01-106144
S(=O)(=O)(NN=Cc1sccc1)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_53483981	386.531	YDXPTSYGSYLEPS-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-106145
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)c1ccc(cc1)C(=O)C	PC-id_8206872	386.534	QZJZPVAOKVBLIE-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-106166
CCN(C(=O)[C@@H](C)Sc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_9217930,PC-id_40972624,CoCoCo_4173179	386.533	AJJDPPJFXSDHAY-CHWSQXEVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106146
CCN(C(=O)[C@@H](C)Sc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_9217931,PC-id_40972625,CoCoCo_4173181	386.533	AJJDPPJFXSDHAY-OLZOCXBDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106147
CCN(C(=O)[C@H](C)Sc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_9217933,CoCoCo_4173178,PC-id_40972626	386.533	AJJDPPJFXSDHAY-QWHCGFSZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106148
CCN(C(=O)[C@H](C)Sc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1	ZINC22_9217935,PC-id_40972627,CoCoCo_4173180	386.533	AJJDPPJFXSDHAY-STQMWFEESA-N	00000010100000000101000000000010000000000000000000000000	31-01-106149
CCN(C(=O)C(Sc1nnc2n1CCCCC2)C)C1CCS(=O)(=O)C1	PC-id_16383282,MCULE-7885844689,EMOLS-id_11849443	386.533	AJJDPPJFXSDHAY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106150
CCS(=O)(=O)N1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101066632	386.533	HDXBBOGSEFEBSE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106151
N#Cc1ccccc1CCCC1CCN(CC1)Cc1nc2=CC=CCC=c2n1C	PC-id_143552575	386.533	RZYQCKQMQSYEOO-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-106152
O=C(NC1CCCN(C1)S(=O)(=O)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098538	386.533	BUQKASZICNFJFE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106153
O=C(N(C1CCN(CC1)S(=O)(=O)C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_111310584	386.533	GTIHQFWIXYMUGT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106154
O=C(Nc1nc2c(s1)CCCCC2)NCC1CCN(CC1)S(=O)(=O)C	EMOLS-id_110299961	386.533	VQXWZRVQCNRZRM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106155
O=C(Nc1sc2c(n1)CCCCCC2)NC1CCN(CC1)S(=O)(=O)C	EMOLS-id_101098562	386.533	YSUKZIPSZKKEDP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106156
O=C(Nc1sc2c(n1)CCCCCC2)NCC1CCN(C1)S(=O)(=O)C	EMOLS-id_111889889	386.533	URUATRAEUHQCFE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106157
O=C(Nc1sc2c(n1)CCCCCC2)NC[C@H]1CCCN1S(=O)(=O)C	EMOLS-id_101098610	386.533	FVEBEMBGPFSMMO-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106158
Cc1nc(NC(=O)c2cc3c(s2)CCCCCC3)sc1c1nccn1C	ZINC22_25513580,EMOLS-id_44058693,PC-id_24658693,MCULE-7848473703,CoCoCo_4649249	386.534	HJETYURREJDLSW-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-106159
CN(C(c1nc2c(s1)cccc2)C)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825056	386.534	GWLGHBFMUYLBLG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106160
s1c2CCCCCc2nc1NC(=O)Cn1c2c(nc1CSC)cccc2	PC-id_55507735	386.534	FACOLABDIIPVET-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106161
s1c2CCCCCCc2c(c1NC(=O)CSc1nc(cc(n1)C)C)C#N	PC-id_4110722	386.534	REVLRQBUBWXTHF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-106162
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1	PC-id_8379569	386.534	WSGCZBHNZCAATR-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-106163
S(c1n(C2CC2)ccn1)C(C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_16587965	386.534	PXNBHNHFCJLHIT-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-106164
S=c1n(nc2n1CCCCC2)C[NH+]1CCC(CC1)C(=O)Nc1ccccc1	PC-id_9325752	386.534	RQVOQADUWWMOLN-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-106165
S(CC(=O)N1CC[NH+](CC1)Cc1ccccc1)c1n2CCCCCc2nn1	PC-id_7877600	386.534	RUCJXKQZEPDKMY-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-106167
CCNC(=NCc1c(C)nn(c1C)C)NCCCc1nnc2n1CCCCC2	PC-id_111951759	386.538	HEKOIFGNHRACDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106168
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1cn(nc1C(C)C)C)C	PC-id_109839066	386.538	YQOBNFQAOULLET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106169
CCNC(=NCc1nnc2n1CCCCC2)NC(Cc1c(C)nn(c1C)C)C	PC-id_109540182	386.538	SVNJEAUAXTXSPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106170
CCNC(=NCCCn1nc(cc1C)C)NCCc1nnc2n1CCCCC2	PC-id_111280623	386.538	BXFGSKLVZGQSPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106171
CN=C(NC(Cc1c(C)nn(c1C)C)C)NCCc1nnc2n1CCCCC2	PC-id_109539166	386.538	JYWLUKGTYQNCEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106172
CN=C(NCCCn1nc(cc1C)C)NCCCc1nnc2n1CCCCC2	PC-id_111280825	386.538	WAEFTENIIICUSM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106173
c1(NC(=O)CCCOc2ccc(cc2)C(C)(C)C)sc2c(CCCCC2)n1	EMOLS-id_334605688,MCULE-3821134135	386.551	QJAIVWOQYNTHPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106174
s1c2c(CCCCC2)c(c1NC(=O)CSC(=S)N(C)C)C(=O)OC	PC-id_3943353	386.552	IWIXDCNBEGAVOU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-106175
Cc1c(CSC(C)C)cccc1NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1	MCULE-2343760514,PC-id_136552861,ZINC22_596004128,EMOLS-id_316878059	386.554	ZGIBRHOGMICIAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106176
CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nnc2n1CCCCC2	ZINC22_6097443,MCULE-2536602794,CoCoCo_3081660,EMOLS-id_11974370,PC-id_7876890	386.554	DXOLMWJCCPGUDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106177
CCN1CCC2N(C(C1)CC2)CC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_100911492	386.554	MKBYPWFDXDMZNW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106178
COc1ccccc1N1CCN(CCCN2CCc3ncsc3CC2)CC1	CHEMBL4570930	386.554	XBMPNPGMBILBPP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106179
COc1ccccc1N1CCN(CCCN2CCCc3ncsc3C2)CC1	CHEMBL4475262	386.554	JTOJOXGQNGJXCT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106180
N#Cc1c(NC(=O)CCN2C[C@H]3[C@@H](C2)CCN(C3)C)sc2c1CCCCC2	EMOLS-id_279106796	386.554	SVLXHEXQJSHDIC-CVEARBPZSA-N	00000010100010000100000000000110000000000000000000000000	31-01-106181
N#Cc1c(NC(=O)CN2CCCC2CN2CCCC2)sc2c1CCCCC2	EMOLS-id_98616483	386.554	YRPXARGKCCHAGE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-106182
N#Cc1c(NC(=O)CN2CCC(C2)CN2CCCC2)sc2c1CCCCC2	EMOLS-id_99514661	386.554	JCZKUEHGYQBHHW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-106183
N#Cc1c(NC(=O)CN2CCC(C2)N2CCCCC2)sc2c1CCCCC2	EMOLS-id_98758850	386.554	JMBNTXGIJRIEFR-UHFFFAOYSA-N	00000010100010000100100000000010000000000000000000000000	31-01-106184
N#Cc1c(NC(=O)CN2CCCC(C2)N2CCCC2)sc2c1CCCCC2	EMOLS-id_99381020	386.554	NWOHHFSYAQROKC-UHFFFAOYSA-N	00000010100010000100100000000010000000000000000000000000	31-01-106185
N#Cc1c(NC(=O)C(N2CCN(CC2)C2CCC2)C)sc2c1CCCCC2	EMOLS-id_99223429	386.554	QRGMTGKDKKZTAR-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-106186
N#Cc1c(NC(=O)C(N2CCN(CC2)CC2CC2)C)sc2c1CCCCC2	EMOLS-id_98054309	386.554	LBMMVCUHKARWRG-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-106187
O=C(c1sc2c(c1)CCCCCC2)N1CCCC(C1)c1nncn1C(C)C	EMOLS-id_110842253	386.554	FGUHUAKYKGIYCR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-106188
O=C(CSCCCc1ccccc1)NCCCc1nnc2n1CCCCC2	MCULE-5515257369,EMOLS-id_42872133,PC-id_72147392,ZINC22_72301231	386.554	ICQYJVJGZHNEPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106189
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1nc(ccc1)C	PC-id_30376816	386.554	LVDKBLCAJBCFIV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-106190
s1c2CCCCCCCCCCc2nc1NC(=O)CNCc1cccnc1	PC-id_30376810	386.554	KHWBABNSTLFGJB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-106191
s1c2CC[NH+](Cc2cc1)CCC(=O)Nc1sc2c(CCCCC2)c1C#N	PC-id_51476405	386.554	NGAKDOVPESBUKA-UHFFFAOYSA-O	00000000100010000100000000010010000000000000000000000000	31-01-106192
S(c1ccc(C(C)(C)C)cc1)CC(=O)NCCc1n2CCCCCc2nn1	PC-id_55534724	386.554	GLLCFHGRBDMVEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106193
S(c1n2CCCCCc2nn1)CC(=O)NC(c1ccc(CC(C)C)cc1)C	PC-id_24371248	386.554	JSWQHAHLYAMFMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106194
S(c1n2CCCCCc2nn1)CC(=O)NC(C(C)C)c1ccc(cc1)CC	PC-id_78679823	386.554	ZJCQLCAIAFOMLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106195
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](c1ccc(CC(C)C)cc1)C	PC-id_7877620	386.554	JSWQHAHLYAMFMT-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106196
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](C(C)C)c1ccc(cc1)CC	PC-id_8379660	386.554	ZJCQLCAIAFOMLM-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106197
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](C(C)C)c1ccc(cc1)CC	PC-id_8379665	386.554	ZJCQLCAIAFOMLM-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106198
S(C(C(C)C)C(=O)NCCc1n2CCCCCc2nn1)Cc1ccccc1	PC-id_56438882	386.554	IEWZNXLIVKFDSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106199
CCNC(=NCc1ccc(cc1SC)C)NCc1nnc2n1CCCCC2	PC-id_109681627	386.557	UHLSADQVSKVGLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106200
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)SC)C	PC-id_111299205	386.557	MFTNTFAZBBJADR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106201
CCNC(=NCc1nnc2n1CCCCC2)NCC(Sc1ccccc1)C	PC-id_111677416	386.557	SPKCDTFFSHVMKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106202
CCNC(=NCCc1nnc2n1CCCCC2)NCCSc1ccccc1	PC-id_111373055	386.557	UHDRRYDXYPHCNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106203
CN=C(NCc1ccc(cc1SC)C)NCCc1nnc2n1CCCCC2	PC-id_109681641	386.557	RXTQEOBKLMTBOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106204
CN=C(NCC(Sc1ccccc1)C)NCCc1nnc2n1CCCCC2	PC-id_111676778	386.557	RYNDNZAADAFLSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106205
CN=C(NCCSc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111373663	386.557	JYLFRYFMBMKPSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106206
Clc1ccc(C2(CCCC2)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55558979	386.918	KYHHOMONTWQBHV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106247
S=c1n2CCCCCc2nn1C[NH+](Cc1ccc(N2CCCCC2)cc1)C	PC-id_8413019	386.577	XETFRSUYVJLLOQ-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-106207
S=c1n2CCCCCc2nn1C[NH+](Cc1c(N2CCCCC2)cccc1)C	PC-id_8413630	386.577	NFBYFJWXZMOFOK-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-106208
Brc1cc(Cl)c(c(c1)C(=O)NC1CCn2c(CC1)nnn2)O	EMOLS-id_102162766	386.632	VSAUABMVHKPRSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106209
Clc1cc(Br)c(c(c1)C(=O)NC1CCn2c(CC1)nnn2)O	EMOLS-id_102162772	386.632	RWVOVMHEULWYFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106210
CCC(CC(c1sc(c2c1SCCOCCS2)C(C)(C)C)(C)C)C	SCHEMBL18944048	386.678	KFQIVWKUTAZKLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106211
CC(C)Sc1c2N(CCCCCn2c(c1SC(C)C)SC(C)C)C	PC-id_134978164	386.682	OAJPGTDMPPMHHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106212
Brc1c(Cl)c(OC2CCN(Cc3c2sc(c3)C)C)ccc1	PC-id_68409951,SCHEMBL2836724	386.734	PEVMKXRJVAPGBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106213
Brc1c(Cl)c(OC2CCN(Cc3sc(cc23)C)C)ccc1	SCHEMBL2844218,PC-id_68413246	386.734	VUYPCRAAPCEWDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106214
Brc1c(Cl)c(OC2CN(CCc3c2scc3)CC)ccc1	SCHEMBL2838274,PC-id_68410639	386.734	HEYTXCNKDWVXDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106215
Brc1c(Cl)c(OC2CN(CCc3sccc23)CC)ccc1	SCHEMBL2840576,PC-id_68411612	386.734	XLXYGPVLYLLYKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106216
Clc1ccc(cc1)Cn1c(Oc2ccc(nc2)C)nc2c1COOCN2C	SCHEMBL16363952,PC-id_117793941	386.832	YSESQDAFEKSSFN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-106217
Clc1cccc(c1)c1noc(n1)CCNC(=O)C1CCn2c(CC1)nnc2	MCULE-5555742372,EMOLS-id_320074454	386.835	RJPNGDWRXNUEEP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106218
COc1ccc(Cl)c(c1)C(=O)N1CCCn2c(Cn3ccnc3)nnc2C1	ZINC22_1565555016,EMOLS-id_313730516	386.835	NUEMSXCBWVSMKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106219
COc1ccc(Cl)cc1S(=O)(=O)NC1CCc2nn(C)c(=O)n2CC1	EMOLS-id_50586709,PC-id_91910841,MCULE-8143438977	386.854	CBIRGQJUOKBOSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106220
COc1ccc(Cl)cc1S(=O)(=O)N(C)C1CCc2n[nH]c(=O)n2CC1	MCULE-8706099491,EMOLS-id_97041570	386.854	QQHVZAQMSAZWGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106221
Cn1ncc(Cl)c1C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	ZINC22_92062307,EMOLS-id_46096875,PC-id_72936553,MCULE-2208343105	386.857	PKLSVYYPSSEENW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106222
Fc1cccc(c1CN(S(=O)(=O)N1CCCc2c(C1)cnn2C)C)Cl	EMOLS-id_101948316	386.872	MPYMWDLFGUKFGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106223
c12CN(CCCn1nc(CNC(=O)c1ccccc1Cl)c2)C(=O)C1CCC1	PC-id_72889537,ZINC22_91656811,EMOLS-id_46062643,MCULE-3340145739	386.875	AIHBZUBQUOCGAW-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-106224
c12C(=O)N(CCCn1nc(C(=O)N1CCCCC1)c2)Cc1ccc(cc1)Cl	PC-id_50797858,EMOLS-id_32846266,MCULE-1335250268	386.875	FZISPKNZVNNPBU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106225
c12C(=O)N(CCCn1nc(C(=O)NC1CCCC1)c2)Cc1ccc(cc1)Cl	PC-id_50797892,EMOLS-id_32846274,MCULE-3333426669	386.875	LLYYZIOXBYVRMC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-106226
C1CCc2c([nH]nc2C(=Cc2ccc(cc2)Cl)C1)C(=O)NN1CCOCC1	SCHEMBL176670,PC-id_87074936	386.875	UWDQCBHQOWWERH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106227
c1(C(=O)Nc2ccc(c(C(=O)N3CCCC3)c2)Cl)c2CCCCCc2[nH]n1	EMOLS-id_323253436,MCULE-7149542567	386.875	HMIBFYRLZJXNLG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-106228
Clc1cccc(c1)C1C(CC(=O)N1C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101671487	386.875	WCKXAGJRJJSGFZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106229
Clc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2C(=O)NN1CCOCC1	SCHEMBL176669,PC-id_58882654	386.875	UWDQCBHQOWWERH-FYWRMAATSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106230
Clc1cccc(c1)C(=O)N1CCc2ncc(CNC(=O)C3CCC3)n2CC1	EMOLS-id_313778376,ZINC22_2055772397	386.875	FTTBONRBCZOMRI-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-106231
Clc1cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc(OC)c1OCCC	PC-id_52452563	386.875	HVVLHTGJSGXUFZ-GDNBJRDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106232
Clc1cc(C=C(c2n3CCCCCc3nn2)C#N)cc(OC)c1OCCC	PC-id_75851480	386.875	HVVLHTGJSGXUFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106233
Clc1cc(C=C(c2n3CCCCCc3nn2)C#N)cc(OC)c1OC(C)C	PC-id_78650379	386.875	PWFGLBFNXZJWNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106234
Clc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc(OC)c1OC(C)C	PC-id_8275473	386.875	PWFGLBFNXZJWNV-OQLLNIDSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106235
CN(C)C(=O)c1cn2CCN(Cc3nn(C)c4cccc(Cl)c34)CCc2n1	EMOLS-id_337675232,ZINC22_2100557358	386.879	QSKINIOXFNCORN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106236
c1(C(=O)Nc2sc3c(CCCCC3)n2)cc(nn1C)c1ccc(cc1)Cl	EMOLS-id_323274705,MCULE-8591041586	386.898	QFBGAVRTTUPUFT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106237
c1(C(=O)Nc2sc3c(CCCCC3)n2)cc(nn1C)c1cccc(Cl)c1	EMOLS-id_323226856,MCULE-9864490005	386.898	XXFCKRZDMTXAQV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106238
Cc1nn(c2ccccc2)c(Cl)c1C(=O)Nc1nc2c(s1)CCCCC2	CoCoCo_4546155,MCULE-4798590794,PC-id_25540640,EMOLS-id_44038026,ZINC22_12827805	386.898	GSCWDCSCURMTQR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106239
Clc1c(Cn2ncc(C(=O)Nc3sc4CCCCCc4n3)c2)cccc1	PC-id_24611845	386.898	WCNLJAROECEPOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106240
O=Cc1sc2=CCN=CC(=c2c1N=CN(c1ccc(cc1)Cl)C)N(C)C	PC-id_143160204	386.898	SEEVNIVWINFHES-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-106241
O=C(/N=c/1sccn1Cc1ccccc1Cl)c1cc2c([nH]1)CCCNC2	ZINC22_2325859389	386.898	XOSBXHSICPCWJO-NMWGTECJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106242
O=C(NCc1ccn(c2ccc(Cl)cc2)n1)c1cc2c(s1)CCCNC2	ZINC22_2325856031	386.898	ZQRQVQJNWSWNCK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106243
O=C(NCc1nnc2n1CCCCC2)c1ccc(c2ccc(Cl)cc2)s1	CoCoCo_3865692,EMOLS-id_17196774,ZINC22_23043098,MCULE-8311231177,PC-id_24676697	386.898	GKHDOQUQAFKQAB-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-106244
CCCCN(NC(=O)c1[nH]nc2c1CCCC/C/2=Cc1ccc(cc1)Cl)C	PC-id_145479838	386.918	KWIDYCBWRDNREK-JQIJEIRASA-N	00000000100000110101000000000010000000000000000000000000	31-01-106245
Clc1cc(C2(CCCC2)C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52183057	386.918	XZIQVQPLWTVKNB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106246
Clc1ccc(c(c1)N1CCN(CC1)C(=O)Cn1cc2c(n1)CCCCC2)C	PC-id_20892418,CoCoCo_2192242	386.918	UASKSBNZFTVWMP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106248
Clc1c(sc2c1cccc2)C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_4598199	386.918	XQDOYVIGZWRESU-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-106249
CN=C(NCC1(CC1)c1cccc(c1)Cl)NCc1nnc2n1CCCCC2	PC-id_111639790	386.922	IGZCSWBYDMRFDF-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-106250
Clc1cc(c(C2CCN(CC2)CCCc2onc3c2CCCCC3)cc1)C	SCHEMBL7963612,PC-id_59939448	386.958	XRDOZJHLAGFVMV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106251
Clc1cc(c(C2CCN(CC2)CCCc2n3CCCCCc3nn2)cc1)C	PC-id_59939424,SCHEMBL7964092	386.961	VUXODQFJWIMANN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106252
CCS(=O)(=O)C1=C(C2=C(S1)CCNCI2C)C	PC-id_163751246	386.982	LQDNRYFLXCTBFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106253
C1[C@@H](C(=O)CC2=C(O1)NN=C2)NC(=O)C3=CN(C=N3)CC4=CC(=C(C=C4)F)F	PC-id_148002848	387.114	IXHFEKVRHQRAQJ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106254
C1[C@@H](C(=O)CC2=C(O1)NN=C2)NC(=O)C3=NN(C=C3)CC4=CC(=C(C=C4)F)F	PC-id_146718493	387.114	RELDOIKOLSFLCR-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106255
CC[C@@H]1C=CC2=C(N(C=C2S(=N)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154991327	387.117	HHDSWGZQTNLCQW-ZJGDTTMNSA-N	00000000100000110111000000000010000000000000000000000000	31-01-106256
C1[C@@H]2[C@@H](C2CCNC(=O)C3=CC4=CC=CC=CC4=[O+]3)CN1C(=O)C5=CC=CC=C5	PC-id_153559884	387.17	CKZXTTNSZASTDR-IHWFROFDSA-O	00100010100000110110010000000010000000000000000000000000	31-01-106257
COc1ccc(cc1)Cn1c2-c(ccccc2)[n+](c1=O)Cc1ccc(cc1)OC	PC-id_163610398	387.17	OLHCATRTWKSLRN-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-106258
C[C@@H]1CCCc2c(C(=O)N(C1=O)CC1(CC1)C(C)(C(F)(F)F)O)n(cn2)C	PC-id_163691434	387.177	JTGXMFHBCQJJNI-ZVDHGWRTSA-N	00100000100000000101000000000010000000000000000000000000	31-01-106259
O=C(Nc1cc(Br)c(cc1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102027739	387.183	UOWCARYTATWMEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106260
O=C(Nc1cc(F)cc(c1Br)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102027727	387.183	PAFKJORLPGOOON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106261
O=C(Nc1cc(F)c(cc1F)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102008532	387.183	LGDUCSUFYPWLFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106262
O=C(Nc1cc(F)c(c(c1)F)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102012559	387.183	FHXQXQKMJMZZFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106263
O=C(Nc1c(F)cc(cc1Br)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102027679	387.183	OTPWBPAQIGWBTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106264
O=C(Nc1c(F)cc(cc1F)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102027595	387.183	MRIKCKKPOMFVAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106265
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CCC=C3	PC-id_155203748	387.216	OYRPUQSWLXOOIM-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-106266
I/C=CC=C(CN1CCc2c(C(C1=O)NC)occ2)/N	PC-id_141978903	387.216	XXZQDTSUYUKQCZ-HGPKVDOPSA-N	00000000100000000100000000000010000000000000000000000000	31-01-106267
Brc1ccc(cc1)Nc1nc2c(s1)C=C(CC=C2)C(F)(F)F	PC-id_143219333	387.218	BEVQMJGPPXDWGE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-106268
Brc1c2OCOc2cc(/C=C(/c2n3CCCCCc3nn2)C#N)c1	CoCoCo_3456470,PC-id_8275418	387.231	SRDNOBYIQHPORK-WUXMJOGZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106269
Brc1c2OCOc2cc(C=C(c2n3CCCCCc3nn2)C#N)c1	PC-id_72084719,EMOLS-id_26092985,MCULE-6681287987	387.231	SRDNOBYIQHPORK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106270
Brc1c(C=C(c2n3CCCCCc3nn2)C#N)cc2OCOc2c1	EMOLS-id_26092989,MCULE-2097507014,PC-id_72084727	387.231	WTLLAMHATRUHJZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106271
Brc1c(/C=C(/c2n3CCCCCc3nn2)C#N)cc2OCOc2c1	PC-id_8275425,CoCoCo_3456474	387.231	WTLLAMHATRUHJZ-WUXMJOGZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106272
N#C/C(=C/c1cc2OCOc2cc1Br)/c1nnc2n1CCCCC2	CoCoCo_3456475	387.231	WTLLAMHATRUHJZ-SDQBBNPISA-N	00000010100000100101000000001010000000000000000000000000	31-01-106273
N#C/C(=C/c1cc(Br)c2c(c1)OCO2)/c1nnc2n1CCCCC2	CoCoCo_3456471	387.231	SRDNOBYIQHPORK-SDQBBNPISA-N	00000010100000100101000000001010000000000000000000000000	31-01-106274
COc1nsc(c1Br)CNC(=O)C1CCn2c(CC1)nnn2	EMOLS-id_316692689	387.255	JPXZJCYEINBYKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106275
CCNC(=O)c1nc(n2c1CN(CCC2)C(=O)OC(C)(C)C)Br	PC-id_145538763	387.272	JRTXGEFMJCOJNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106276
Brc1ccc2c(c1)c(c[nH]2)CC(=O)N1CCCc2c(C1)cnn2C	MCULE-1292693393,EMOLS-id_319869630	387.274	MLXOJEGJMSWIPW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-106277
COCCn1c(=O)n2CCN(CCc2n1)Cc1ccc(s1)Br	PC-id_91922431	387.295	WZLIGTWUMOJRDD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-106278
Brc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807932	387.315	RXQLBYAEINVOEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106279
Brc1cccc(c1)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807952	387.315	PMJITXRACCSLLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106280
Brc1ccccc1S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807954	387.315	STILYEXUPBESBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106281
Cc1noc(C)c1Cn1nc2CCC(CCn2c1=O)C(=O)NCC(F)(F)F	EMOLS-id_207876782,MCULE-5093894618	387.357	LNZSLVJUUQYFFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106282
FC(F)(F)/C(=C(c1n2CCCCCc2nn1)/C#N)/OCc1ccc(cc1)C#N	PC-id_2439873,CoCoCo_3163587,CoCoCo_3163584	387.358	WEUADVUYISOYOP-BMRADRMJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106283
FC(F)(F)C(=C(c1n2CCCCCc2nn1)C#N)OCc1ccc(cc1)C#N	PC-id_4582157	387.358	WEUADVUYISOYOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106284
N#Cc1ccc(cc1)CO/C(=C(c1nnc2n1CCCCC2)/C#N)/C(F)(F)F	CoCoCo_3163585,CoCoCo_3163586	387.358	WEUADVUYISOYOP-ICFOKQHNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106285
OCC1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18352933	387.359	NSOSBBJUEJZZDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106286
Brc1cc(sc1)CNCCSc1n2CCCCCc2nn1	PC-id_62576895	387.361	IGMATNFCDRTLCO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-106287
Brc1cc(sc1)C(Sc1n2CCCCCc2nn1)C(N)C	PC-id_61630301	387.361	RZFSJVXMQIYKDI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-106288
Brc1sc(CN(Cn2nc3n(CCCCC3)c2=S)C)cc1	PC-id_9172193	387.361	LEGPXBGHWSOJHQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-106289
Brc1sc(C(Sc2n3CCCCCc3nn2)C(N)C)cc1	PC-id_61629509	387.361	GMYQBMGQAMRAAU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-106290
c1(cn2c(C(=O)NCCC2)c1)S(=O)(=O)NCc1cccc(c1)C(F)(F)F	PC-id_53182817,EMOLS-id_33086374,MCULE-6337206919	387.377	ZJVVXLATFLLRDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106291
CC1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C	PC-id_142742579	387.377	XIAGYNSVZMDPAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106292
C[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C	SCHEMBL18352921	387.377	XIAGYNSVZMDPAE-QMMMGPOBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106293
O=C1NCCCn2c1cc(c2)S(=O)(=O)N(c1cccc(c1)C(F)(F)F)C	EMOLS-id_33086614,MCULE-5060178223,PC-id_53182851	387.377	OHEAMLYXWFUURF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106294
CCn1nc(c2c1CCCNC2CCc1cc(F)c(c(c1)F)C(F)(F)F)C	SCHEMBL3157003,PC-id_59175208	387.39	VQWISFKRLAVABJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106295
COCCn1nc2CCN(CCn2c1=O)C(=O)Cn1c2ccccc2oc1=O	EMOLS-id_50589999,PC-id_91922426,MCULE-9456952530	387.39	BTPOGMXXAHQRBX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106296
O=C(c1cc(cc(c1)C(=O)O)[N+](=O)[O-])NCCCc1nnc2n1CCCCC2	PC-id_119186763	387.39	IIOIRPQRCDYBLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106297
O=C(CN1CCOC1=O)N1CCc2nc(cn2CC1)C(=O)NCc1cc[nH]n1	EMOLS-id_331138363,ZINC22_1875251281	387.393	VLOXTNQHYRMYPD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106298
Fc1cc(C2NNCC2C(=O)N2CCCn3nc(cc3C2)C(=O)OC)ccc1	PC-id_75591715	387.408	CQLHKWSPQGUIAH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106299
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)C(=O)C1CCCO1	ChEMBL-DNDi_CHEMBL41837332	387.408	FEOXDHNKJBIBDE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-106300
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)NCC)cc1	PC-id_42855043	387.408	FROZNFYPJNSLPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106301
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(c(c1)F)C(=O)N1CCOCC1	EMOLS-id_319526836	387.408	JWIUQADGPMYFSH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106302
O=C(Cn1nc2n(c1=O)CCCCC2)NC1CC(=O)N(C1)c1ccccc1F	MCULE-1215435035,EMOLS-id_324028445,PC-id_146089469	387.408	QZZGRHRZEUHNEN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106303
O=C(Cn1nc2n(c1=O)CCCCC2)N[C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC22_1324036602	387.408	QZZGRHRZEUHNEN-CYBMUJFWSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106304
O=C(Cn1nc2n(c1=O)CCCCC2)N[C@H]1CC(=O)N(c2ccccc2F)C1	ZINC22_1324036603	387.408	QZZGRHRZEUHNEN-ZDUSSCGKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106305
s1c2CCCCCc2cc1C(=O)NN=Cc1c([N+](=O)[O-])cc2OCOc2c1	PC-id_78620863	387.41	AEKKVNXJFFRTAZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106306
Fc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183282	387.411	IJYMUWHIOKBGEO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106307
Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183285	387.411	KUJQCFVYVBSBGZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106308
c12C(=O)NCC(O)Cn1nc(C(=O)NCCSc1oc3c(cccc3)n1)c2	PC-id_119066867,MCULE-2655769997,EMOLS-id_82722023	387.413	YMNFDTGGSNOMOF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106309
O=C(NCCSc1nc2ccccc2o1)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426517705	387.413	YMNFDTGGSNOMOF-JTQLQIEISA-N	00000000100000100101000001000010000000000000000000000000	31-01-106310
O=C(NCCSc1nc2ccccc2o1)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426517707	387.413	YMNFDTGGSNOMOF-SNVBAGLBSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106311
CCOC(=O)Oc1c(NC(=O)C)c(c2-c1ccc(cc2)CC(=O)OC)CCC	PC-id_67631639,SCHEMBL8584205	387.426	RVTBRLUZOJMZOA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-106312
CN=C(NCc1nnc2n1CCCCC2)NCc1scc(n1)C(F)(F)F	PC-id_111615447	387.426	ZMQABQRBPRSCPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106313
COC(=O)c1c2OCC(COc2c(n1Cc1ccccc1)C(=O)O)(CC)CC	PC-id_68968625,SCHEMBL4236086	387.426	IIWLZXVSFIJGEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106314
OC(=O)CN(C(=O)OCCc1ccc(cc2-c1ccc2C)C(C)C)CC(=O)O	PC-id_102167682	387.426	CXAMZRVUQGNWIX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-106315
O=C1N(CCCCc2c3-c(c(c2)C(=O)OC)ccccc3)C(=O)c2c1cccc2	PC-id_11740912	387.428	YIUQTQBLDYDRRA-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-106316
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(N)cc(F)cc1)C#N	PC-id_27997888	387.428	ZRTGMFNFHBUBHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106317
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc(c2ccc(F)cc2)c1	PC-id_36445232	387.431	XQKBJCZYBDSVLZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106318
c1(cn2c(CCN(CC2)C(=O)Cc2cc(no2)C)n1)C(=O)N1CCCC(O)C1	MCULE-4000185052,EMOLS-id_331127583	387.433	WNBVCLCAFGKYDR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106319
Cc1cc(CC(=O)N2CCc3nc(C(=O)N4CCC[C@H](O)C4)cn3CC2)on1	ZINC22_1875244828	387.433	WNBVCLCAFGKYDR-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106320
Cc1cc(CC(=O)N2CCc3nc(C(=O)N4CCC[C@@H](O)C4)cn3CC2)on1	ZINC22_1875244829	387.433	WNBVCLCAFGKYDR-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106321
CCCCNC(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965322,PC-id_89579797	387.433	MMYMWVCGZKVXSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106322
C1CN(CCc2c1nc(o2)C(=O)Nc1cnccc1)Cc1cc2c(cc1)[nH]cc2	PC-id_134805538	387.434	LCQHFEBSIVKRBS-UHFFFAOYSA-N	00000000100000101101000001100010000000000000000000000000	31-01-106323
C1CN(CCc2c1nc(o2)C(=O)NCc1ccncc1)Cc1cccc(c1)C#N	PC-id_134808617	387.434	NIYSACSJCVTUHX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-106324
Cc1nc2ccc(cc2o1)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	MCULE-4516580972,ZINC22_2356166417,EMOLS-id_337822577	387.434	WVCBBSJBYWPKQT-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-106325
N#Cc1ccc(cc1)Oc1ccc(c(c1)C)NC(=O)C1CCn2c(CC1)nnc2	MCULE-4111505278,EMOLS-id_320046323	387.434	FATNOWBOUOBMJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106326
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CCCCO1	SCHEMBL18366785	387.436	KCZQLDHTPOAGAF-KZUDCZAMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106327
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CCCOC1	SCHEMBL18366782	387.436	NTEKQAZVDITMNX-KZUDCZAMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106328
c1cncc(Cc2nnc3n2CCN(Cc2cc(c4ccncc4)no2)CC3)c1	EMOLS-id_316252700,ZINC22_1506399736,MCULE-2839458391	387.438	QAGYJIGZBODBGX-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-106329
c1(C(=O)N2CCn3c(CC2)nc(CCc2ccccc2)n3)cc2n(cccn2)n1	ZINC22_2100482677,MCULE-8966810547,EMOLS-id_337691067	387.438	QKFHDRQEULMZJH-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-106330
Cn1cnc2c(ccnc12)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	MCULE-9714553322,ZINC22_2356148413,EMOLS-id_337786940	387.438	VBJGPCJNGLJBOU-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-106331
Cn1ncc2ncc(cc12)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337792393,MCULE-2338352651,ZINC22_2356167596	387.438	UNYNAUVFVUWLSV-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-106332
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)c1ccc2c(c1)nn[nH]2	ZINC22_2356150061,EMOLS-id_337818933,MCULE-7065435422	387.438	JVEISVVDJCQRNX-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-106333
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)c1ccc2c([nH]nc2)n1	MCULE-2918025130,EMOLS-id_337830671,ZINC22_2356138436	387.438	BRNZLWSRYAPLRC-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-106334
CN(C(=O)CC1CCN(CC1)CC(F)(F)F)Cc1nnc2n1CCCCC2	EMOLS-id_316660852	387.443	ITVNIOPKRIARJI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106335
O=C(CC1CCN(CC1)CC(F)(F)F)NCCc1nnc2n1CCCCC2	EMOLS-id_316658293	387.443	IKGMLXXFZPEULW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106336
s1c2CCCCCCc2nc1NC(=O)c1c(SC(F)(F)F)nccc1	PC-id_56083759	387.443	RSZSMWKQDSCSFI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-106337
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)CC(F)(F)F	PC-id_111914790	387.446	UXUPAPWFBSPXEY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106338
C=N/C=CC=C
/Cc2sc(cc2CCN1C)C(=O)Nc1c(F)cccc1F	PC-id_142511924	387.446	JZDDWXREZIVEBM-RUXGZBGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106339
CN=C(N1CCN(CC1)C(C(F)(F)F)C)NCc1nnc2n1CCCCC2	PC-id_109376623	387.446	SVPKSNITBXRTJD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106340
CN=C(NC1CCN(C1)CC(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111914874	387.446	YXLLVDHPALKGMN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106341
c12CN(CCCn1nc(CCC(=O)O)c2)CC1(CCOC1)c1cccc(F)c1	MCULE-9489936668,EMOLS-id_43128749,PC-id_56899556	387.448	MDXUUIKVTTWJER-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106342
Fc1cccc(c1)C(N1CCOCC1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100116135	387.448	KEPPIOZPVPSEFX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106343
Fc1ccc(cc1)C(N1CCOCC1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100939902	387.448	XHQRDKRPALBYKZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106344
O=C(O)CCc1cc2n(n1)CCCN(C[C@@]1(c3cccc(F)c3)CCOC1)C2	ZINC22_72431697	387.448	MDXUUIKVTTWJER-NRFANRHFSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106345
O=C(O)CCc1cc2n(n1)CCCN(C[C@]1(c3cccc(F)c3)CCOC1)C2	ZINC22_72431698	387.448	MDXUUIKVTTWJER-OAQYLSRUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106346
c1(NC(=O)c2ccc3c(OCO3)c2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_1359096,CoCoCo_6791604,MCULE-3541658827,EMOLS-id_2369276,ZINC22_1200914,TIMTEC420246	387.449	RCKLVDBEXKIJQU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106347
c1(NC(=O)c2ccc3c(OCO3)c2)sc2c(CCCCCC2)c1C(=O)OC	TIMTEC100540,MCULE-2661792140,CoCoCo_908109,PC-id_1008691,EMOLS-id_2202650,ZINC22_668417,SPECS-id_AK-968/12385198	387.449	CJUGRXCRZSQTAR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106348
C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc2c(c1)OCO2	CoCoCo_2861361,PC-id_2594188,ZINC22_3476433	387.449	MTXAZEOWATVBGT-GFCCVEGCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106349
C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc2c(c1)OCO2	ZINC22_3476430,PC-id_2594191,CoCoCo_2861362	387.449	MTXAZEOWATVBGT-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106350
COC(=O)c1ccc(cc1OC)C(=O)N1CCCC(=O)c2c1sc(c2C)C	SCHEMBL7020079,PC-id_18378530	387.449	KIEAVBUTLCUYIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106351
COC(=O)c1cc(NC(=O)c2cc3c(s2)CCCCC3)cc(C(=O)OC)c1	CoCoCo_3362206,ZINC22_6377915,EMOLS-id_43855347,MCULE-2826076852,PC-id_7959517	387.449	XRAZTHTUZNRUMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106352
O=C1N(CCCOCC2(C)COc3c(OC2)csc3)C(=O)c2c1cccc2	PC-id_69574721,SCHEMBL5807720	387.449	IJPPIRNSTBWWBC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106353
O=C(C(OC(=O)c1cc2c(s1)CCCCC2)C)Nc1ccc2c(c1)OCO2	PC-id_4883522,MCULE-6692956186,EMOLS-id_3361128	387.449	MTXAZEOWATVBGT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106354
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(cccc1)C(=O)OC	PC-id_16509490	387.449	XQOLPIBCJWFVHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106355
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)OC	PC-id_7352128	387.449	JDRWERCGDHBKAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106356
s1c2CCCCCc2cc1C(=O)OCC(=O)NCc1cc2OCOc2cc1	PC-id_7650057	387.449	BNANXXLYVNMIOP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106357
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)c1ccc(OC)cc1	PC-id_16509428	387.449	CTALGJWURBWTTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106358
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)c1c(OC)cccc1	PC-id_7649958	387.449	FIXXBGGZONRXGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106359
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C(=O)OC)C(=O)OC	PC-id_3357770	387.449	YRSQLMJYZQKMED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106360
s1c2c(CCCCC2)c(c1NC(=O)Cc1cc2OCOc2cc1)C(=O)OC	PC-id_41107773	387.449	BLAVZJCQNWQYSL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106361
s1c2c(CCCCC2)c(c1NC(=O)COc1cc(ccc1)C=O)C(=O)OC	PC-id_8361845	387.449	GWFUIPWVBLDLBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106362
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1cc2OCOc2cc1	PC-id_7618645	387.449	LYFBJZDLVCUMFE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106363
Fc1ccc(c(c1)F)n1nc(c(c1C)C[NH2+]Cc1nnc2n1CCCCC2)C	GD-id_ZINC48682976	387.45	QQTLXJJDBQURQI-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-106364
c12CN(CCCn1nc(CNC(=O)C(N(C)C)c1cccc(F)c1)c2)C(=O)C	EMOLS-id_44429033,MCULE-2849321303,PC-id_70720636	387.451	OTVUBPXUPVZPKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106365
c1(C(=O)NCCN(C)C)cc2n(CCCN(C(=O)c3ccc(c(C)c3)F)C2)n1	PC-id_50949973,MCULE-1174153808,ZINC22_65372003,EMOLS-id_32371540	387.451	JOTGSUCIWGERSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106366
CC(=O)c1ccc(N2CCN(Cn3nc4n(c3=O)CCCCC4)CC2)c(F)c1	PC-id_17479047,ZINC22_57420834,CoCoCo_4479188,MCULE-4332911582,EMOLS-id_13568118,CoCoCo_4479187	387.451	ACHCRKGIGYLDHD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106367
CC(=O)N1CCCn2nc(CNC(=O)[C@@H](c3cccc(F)c3)N(C)C)cc2C1	ZINC22_82097663,PC-id_96573276	387.451	OTVUBPXUPVZPKT-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106368
CC(=O)N1CCCn2nc(CNC(=O)[C@H](c3cccc(F)c3)N(C)C)cc2C1	ZINC22_82097664,PC-id_96573277	387.451	OTVUBPXUPVZPKT-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-106369
CN(C1CCc2nn(c(=O)n2CC1)CC1CC1)C(=O)NCc1ccc(cc1)F	EMOLS-id_50586253,PC-id_91922744,MCULE-9946496518	387.451	LBBIWZMVTGQFQC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-106370
Fc1ccc(cc1)N1CCC(C1)CNC(=O)Cn1nc2n(c1=O)CCCCC2	MCULE-7198840033,EMOLS-id_44547766,PC-id_71886456	387.451	HTSRVYWSSMMSND-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106371
Fc1ccc(C(NC(=O)NCc2n3CCCCCc3nn2)C2OCCC2)cc1	EMOLS-id_98072722,PC-id_60547710	387.451	WXYPFKWPKXMKGS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-106372
Fc1ccc(OCC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_51317220	387.451	SZEKHGGLFJWUHP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106373
Fc1cc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1OC	PC-id_51317239	387.451	RABRIHKKTCVISA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106374
Fc1c(OCC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cccc1	PC-id_51317231	387.451	LJEIQZXTTMDJMI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106375
O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@H]1CCN(c2ccc(F)cc2)C1	PC-id_97012165,ZINC22_84405089	387.451	HTSRVYWSSMMSND-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106376
O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@@H]1CCN(c2ccc(F)cc2)C1	PC-id_97012166,ZINC22_84405094	387.451	HTSRVYWSSMMSND-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106377
O=C(COc1cccc(F)c1)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_23995880,PC-id_17441838,EMOLS-id_13453324,MCULE-7437023625,CoCoCo_4526306	387.451	DOGOBEWZOMOFBG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106378
OC(=O)c1csc(n1)Cc1c2-c(c(c1C)C(=O)c1ccccc1)ccccc2	PC-id_139814857	387.451	JCVFTYKVQMMCFD-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-106379
O=C(OC(C)(C)C)N[C@H](C(=O)O)CSCC1CCCCc2n1c(=O)on2	SCHEMBL6792049,PC-id_59055362	387.451	GCNGZOZAODICBU-DTIOYNMSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106380
S(CC1n2c(noc2=O)CCCC1)CC(NC(=O)OC(C)(C)C)C(=O)O	PC-id_22901390	387.451	GCNGZOZAODICBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106381
c12C(=O)NCCCc1nc(NC(=O)COc1cccc3CC(C)(C)Oc13)s2	PC-id_72719958,ZINC22_211128266,MCULE-3328905799,EMOLS-id_50139181	387.453	AARMQEBRIWYMAE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106382
c1(C(=O)N(C)C)c2CCCCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O	ZINC22_3100264,PC-id_3109198,EMOLS-id_1230909,MCULE-3931103143,ChEMBL-DNDi_CHEMBL3261-0715	387.453	MNWGAZSAIBWZHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106383
c1(NC(=O)c2cccc(c2C)N(=O)=O)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_2198743,PC-id_1221094,MCULE-9345878494,SPECS-id_AK-968/12116214,TIMTEC376300,ZINC22_996339,CoCoCo_901317	387.453	PFJYRWCYBHNTEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106384
c1(NC(=O)c2ccc(c(c2)N(=O)=O)C)sc2c(CCCCCC2)c1C(=O)N	ZINC22_6278656,MCULE-5342090433,CoCoCo_6844801,TIMTEC133601,EMOLS-id_5392626,PC-id_3352807	387.453	DUUFOCJMBNMOQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106385
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCCCCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL7253318,MCULE-2650237206,TIMTEC442411,CoCoCo_900968,PC-id_1000684,SPECS-id_AK-968/41925184,EMOLS-id_2198516,ZINC22_656031	387.453	SBHRDOYBGQTBRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106386
c1(NC(=O)Cc2ccc(cc2)N(=O)=O)sc2c(CCCCCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL7246147,ZINC22_670912,EMOLS-id_2441816,TIMTEC210667,CoCoCo_899204,MCULE-6748574078,SPECS-id_AK-968/12973912,PC-id_1010541	387.453	ICZODYIZMUXPDH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106387
c1(NC(=O)CCC(=O)Nc2ccc3c(OCO3)c2)sc2c(CCCCC2)n1	MCULE-2551099264,EMOLS-id_334978177	387.453	YMODINYBISBRGB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106388
Cc1noc(C)c1CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_30758593,ZINC22_21493127,MCULE-1077054171,PC-id_29535642	387.453	PUSWLRUOGFYIDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106389
CCc1noc(C)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-6676100958,ZINC22_6942397,PC-id_4855638,CoCoCo_3861503,EMOLS-id_3466498	387.453	YYYVBNHOGWZTHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106390
COc1c(C)cnc(c1C)CS(=O)c1nc2c(n1C(=O)O)C=CC(C=C2)C	PC-id_143590868	387.453	JTQUTMKDYSCXLZ-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-106391
COCc1nc(OC)c2c(C)c(C(=O)N3CCCc4occc4C3)sc2n1	ZINC22_290440549,EMOLS-id_177270829,MCULE-8979570623	387.453	BHDIZVTYJBXHFC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106392
O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nc2c(s1)CCCCCC2	MCULE-2467082561,PC-id_53508432,ZINC22_55375372,EMOLS-id_35734379	387.453	RTSFASXKPUUMES-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-106393
OC(=O)CN1C(=O)C(CCc2n1ccc2)NC(=O)C(Cc1ccccc1)S	PC-id_76475873,SCHEMBL7341467	387.453	RLHWPHIUNAILCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106394
OC(=O)CN1C(=O)[C@H](CCc2n1ccc2)NC(=O)[C@H](Cc1ccccc1)S	SCHEMBL7341463,PC-id_9908270	387.453	RLHWPHIUNAILCR-HOTGVXAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106395
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s1c2CCCCCc2cc1C(=O)NNC(=O)COc1c(cccc1)C(=O)N	PC-id_9092556	387.453	VUCGMGLVBIZMMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106397
s1c2c(CCCCC2)c(c1NC(=O)COc1cc(ccc1)C(=O)N)C(=O)N	PC-id_55985638	387.453	OFYJDBFDLGVSSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106398
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(c([N+](=O)[O-])ccc1)C	PC-id_8140746	387.453	FPTUKPOIMFMBIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106399
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s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1	PC-id_9441691	387.453	MKYKBUQRSUCVQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106401
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1c([N+](=O)[O-])cccc1	PC-id_24643148	387.453	RIHONUHHURYRMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106402
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Cc1csc(n1)NC(=O)c1nc2c(o1)CCN(CC2)Cc1c(onc1C)C	PC-id_134810763	387.456	MRBVDSFDHPHSOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106411
Cc1nn(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1[N+](=O)[O-]	PC-id_17559244,EMOLS-id_15254869,CoCoCo_4503318,ZINC22_8726185,MCULE-6861457070	387.456	NZTNTDAEBMIIPU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106412
CCNc1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)NC	SCHEMBL693037,PC-id_58256699	387.456	MOOKBIDJXKTKIO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-106413
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COc1ccc(c2noc(CSc3nnc4n3CCCCC4)n2)cc1OC	MCULE-7702557221,PC-id_9207409,CoCoCo_3854799,ZINC22_8074649,EMOLS-id_3664598	387.456	RQAUZMAXWMTGIM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106415
COc1ccc(c2noc(CSc3nnc4n3CCCCC4)n2)c(OC)c1	EMOLS-id_3692651,CoCoCo_4013271,ZINC22_7081629,PC-id_8211713,MCULE-2500438717	387.456	QACMXLQQKAXFRH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106416
n12CCC(CCc1nn(CC1CC1)c2=O)NS(=O)(=O)c1cccc(c1)C#N	EMOLS-id_50586711,MCULE-1163580416,PC-id_91922695	387.456	HAOPYBYQWURLJZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-106417
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s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc2c1cc(OCC)cc2	PC-id_36422948	387.456	HETUDGZKWDHWHL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106421
c12sc(c(C)c1c(=O)[nH]c(CCNC(=O)C1CCCCn3nnnc13)n2)C	EMOLS-id_232829685,MCULE-9856928110	387.459	IEXBJQWHGFOOOR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106422
c1(C(=O)NCc2cc3n(CCCN(C3)C(=O)N(C)C)n2)cn2c(scc2)n1	ZINC22_91644877,PC-id_72886572,EMOLS-id_46060421,MCULE-4452820703	387.459	UHPRGKJOUOOLIU-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-106423
Cc1sc2nc(CCNC(=O)[C@@H]3CCCCn4nnnc34)nc(O)c2c1C	ZINC22_827731815	387.459	IEXBJQWHGFOOOR-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106424
Cc1sc2nc(CCNC(=O)[C@H]3CCCCn4nnnc34)nc(O)c2c1C	ZINC22_827731819	387.459	IEXBJQWHGFOOOR-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-106425
CN(Cc1nc2c(c(=O)[nH]1)scc2)C(=O)NCc1nnc2n1CCCCC2	PC-id_137187137,EMOLS-id_98550842	387.459	RDUMATWRYSEAEB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106426
CN(C)S(=O)(=O)c1cccc(N/N=C(C#N)/c2nnc3n2CCCCC3)c1	CoCoCo_3692790,PC-id_6266567,ZINC22_5559853	387.459	CXFWRWIBVCUSCW-HMMYKYKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106427
N#C/C(=N/Nc1cccc(c1)S(=O)(=O)N(C)C)/c1nnc2n1CCCCC2	CoCoCo_3692791,PC-id_6534594	387.459	CXFWRWIBVCUSCW-HKWRFOASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106428
N#CC(=NNc1cccc(c1)S(=O)(=O)N(C)C)c1nnc2n1CCCCC2	PC-id_5087082,MCULE-7695683242,EMOLS-id_26156385	387.459	CXFWRWIBVCUSCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106429
c1(NC(=O)C=Cc2ccc(cc2)F)sc2c(CCCCCC2)c1C(=O)OC	PC-id_4102534,MCULE-9062275714	387.468	CUEIUFPWGUOUMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106430
COC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)F)sc2c1CCCCCC2	CoCoCo_5815912	387.468	CUEIUFPWGUOUMW-RAXLEYEMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106431
COC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCCCC2	EMOLS-id_45936298,TIMTEC109801,SPECS-id_AK-968/11986710,ZINC22_2081735,PC-id_1741027,CoCoCo_5815911	387.468	CUEIUFPWGUOUMW-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106432
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(F)cc1)C(=O)OCC	PC-id_4090779	387.468	PXVOMPUPJOETOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106433
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(F)cc1)C(=O)OCC	PC-id_6007467	387.468	PXVOMPUPJOETOX-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106434
C1(CC(=O)N(C)C1c1cccc(F)c1)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323391664,MCULE-4009500151	387.471	RFTPLZXADWIIJX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106435
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(Cc2ccccc2F)C1	EMOLS-id_323373503,MCULE-5605887197	387.471	TXOZXVRPRPBXCS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-106436
FC1(CCC1)C(=O)N1CCc2nc(sc2CC1)C(=O)NCc1ccccc1	EMOLS-id_313791034,ZINC22_1565555158	387.471	UUGQNJOAWSYKDP-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-106437
O=C(Nc1nc2c(s1)CCCCC2)C1CN(C(=O)Cc2ccc(F)cc2)C1	BDB-25002405,MCULE-5779672745,PC-id_92632885,ZINC22_19747210	387.471	DNSXJGHLUCWTSX-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-106438
c1(C(=O)N(CCCN2CCOCC2)Cc2ccco2)c2CCCCCc2on1	MCULE-8355071325,EMOLS-id_16234817,CoCoCo_2401407,PC-id_20923860	387.473	UXASDMGJSKFVHZ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-106439
CC(C)OC(=O)C1CN(C(=O)C2CCOCC2)CC(C)(C)c2cc(C#N)[nH]c12	BindingDB_PC-id_45484845,SCHEMBL4142163,CHEMBL576636,PC-id_45484845	387.473	IEZIKMUGYMCPMC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-106440
COC(=O)c1c2-c(cc(c2)C(C)(C)C)c(nc(N(C)C)c1C(=O)OC)N(C)C	NSC369730,LI_74004,CoCoCo_5627248,PC-id_340099	387.473	FCVWXRXCVHQPSY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-106441
s1c2c(CCCCC2)c(c1NC(=O)C[n+]1cc(ccc1)C(=O)C)C(=O)OC	PC-id_8830381	387.473	JUPZTBYCMYPIPT-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-106442
s1c(NC(=O)C2C3CC(C2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)N	PC-id_74533769	387.473	QVMVBPAPBMXUBR-UHFFFAOYSA-M	00000011100000000100000000000110000000000000000000000000	31-01-106443
s1c(NC(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)N	PC-id_27521312	387.473	QVMVBPAPBMXUBR-DRABBMOASA-M	00000011100000000100000000000110000000000000000000000000	31-01-106444
s1c(NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)N	PC-id_40421743	387.473	QVMVBPAPBMXUBR-JLUCKKNBSA-M	00000011100000000100000000000110000000000000000000000000	31-01-106445
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)N	PC-id_51399762	387.473	QVMVBPAPBMXUBR-BVIHXZOGSA-M	00000011100000000100000000000110000000000000000000000000	31-01-106446
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)N	PC-id_51399764	387.473	QVMVBPAPBMXUBR-PKIAMQTDSA-M	00000011100000000100000000000110000000000000000000000000	31-01-106447
c1(ccc2CN(CCCn12)C(=O)c1ccccc1)C(=O)N(C)Cc1ccccc1	EMOLS-id_317417567,MCULE-8187745629	387.474	CWTWEFQNAOOKNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106448
CN(CCCOc1ccccc2-c1c(C)cc2/C=C
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CN(CCCOc1ccccc2-c1c(C)cc2/C=C/1C(=O)Nc2c1cccn2)C	PC-id_52949935,CHEMBL1258376,BindingDB_PC-id_52949935	387.474	BOGKUOUVWUICFV-HKWRFOASSA-N	00000010100000100110000000001010000000000000000000000000	31-01-106450
CN(CCCOc1ccccc2-c1c(C)cc2C=C1C(=O)Nc2c1cccn2)C	PC-id_68581966,SCHEMBL3286965	387.474	BOGKUOUVWUICFV-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-106451
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c12CN(CCCn1nc(CNC(=O)CCN1CCCC1=O)c2)C(=O)C1CCC1	MCULE-9325669705,ZINC22_91602559,PC-id_72877711,EMOLS-id_46053945	387.476	PNFLXGXIHJOLOI-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-106453
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccco3)CCn12	PC-id_45173365,EMOLS-id_20412684,MCULE-1439720275	387.476	FZHUOKVRJQIKRW-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-106454
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccoc3)CCn12	MCULE-8028833742,PC-id_45193979,EMOLS-id_20501949	387.476	KVWCOEOLEGJSKM-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-106455
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(cc3OC)O)CCn12	EMOLS-id_20563419,PC-id_45208004,MCULE-5000767270,ChEMBL-DNDi_CHEMBL41483848	387.476	ZQVKKIATHUPYRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106456
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(cc3O)OC)CCn12	MCULE-3121608551,EMOLS-id_20541881,PC-id_45203065	387.476	RYACFMHFFRXSAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106457
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(c(OC)c3)O)CCn12	MCULE-1142521247,EMOLS-id_20557651,ChEMBL-DNDi_CHEMBL40123701,PC-id_45206648	387.476	SKOHTOQTNNBBQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106458
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CCC(c1nnc2n1CCCCC2)NC(=O)NCc1ccc(c(c1)OC)OC	PC-id_72137926,MCULE-8067377970,EMOLS-id_42886325	387.476	ZMCCUCQGQMCKAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106464
CCC(C)C(=O)NCc1nnc2CCN(Cc3cc(OC)ccc3O)CCn12	PC-id_45187994,MCULE-7751024490,EMOLS-id_20475861	387.476	SGTZLUMUDORKHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106465
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CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccco1)CC2	CoCoCo_1148640,CoCoCo_1148639,ZINC22_19741146	387.476	FZHUOKVRJQIKRW-YJBOKZPZSA-N	00000010101000000101000000000010000000000000000000000000	31-01-106467
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CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccco1)CC2	ZINC22_19741144,CoCoCo_1148636,CoCoCo_1148635	387.476	FZHUOKVRJQIKRW-MAUKXSAKSA-N	00000010101000000101000000000010000000000000000000000000	31-01-106469
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccoc1)CC2	CoCoCo_1274254,ZINC22_12211731,CoCoCo_1274255	387.476	KVWCOEOLEGJSKM-FUHWJXTLSA-N	00000010101000000101000000000010000000000000000000000000	31-01-106470
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccoc1)CC2	CoCoCo_1274259,CoCoCo_1274258,ZINC22_12211733	387.476	KVWCOEOLEGJSKM-WMZOPIPTSA-N	00000010101000000101000000000010000000000000000000000000	31-01-106471
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(Cc1ccoc1)CC2	ZINC22_12211723,CoCoCo_1274257,CoCoCo_1274256	387.476	KVWCOEOLEGJSKM-SJLPKXTDSA-N	00000010101000000101000000000010000000000000000000000000	31-01-106472
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(Cc1ccoc1)CC2	ZINC22_12211726,CoCoCo_1274260,CoCoCo_1274261	387.476	KVWCOEOLEGJSKM-AEFFLSMTSA-N	00000010101000000101000000000010000000000000000000000000	31-01-106473
CCC(C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1O)OC)C	ChEMBL-DNDi_CHEMBL23582972,PC-id_56853499	387.476	AETIIFSRRPOYFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106474
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)ccc1O)CC2	CoCoCo_1236816,CoCoCo_1236818,ZINC22_11868356	387.476	SGTZLUMUDORKHS-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106475
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)ccc1O)CC2	CoCoCo_1236817,CoCoCo_1236815,ZINC22_11868358	387.476	SGTZLUMUDORKHS-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106476
CC[C@H](NC(=O)NCc1ccc(OC)c(OC)c1)c1nnc2n1CCCCC2	PC-id_95763297,ZINC22_72275156	387.476	ZMCCUCQGQMCKAA-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106477
CC[C@@H](NC(=O)NCc1ccc(OC)c(OC)c1)c1nnc2n1CCCCC2	ZINC22_72275157,PC-id_95763298	387.476	ZMCCUCQGQMCKAA-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106478
CCNC(=O)COc1ccc(cc1OC)CNCc1nnc2n1CCCCC2	EMOLS-id_50939238,MCULE-7092005496,PC-id_121844142	387.476	XYKQKXWNZJBACQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106479
COc1ccc(c(c1)NC(=O)CC(NCc1nnc2n1CCCCC2)C)OC	MCULE-6422055534,EMOLS-id_50952538,PC-id_121846679	387.476	IWEGJGSRVWBOSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106480
COc1ccc(cc1OC)C(NC(=O)NCCc1nnc2n1CCCCC2)C	MCULE-5287373569,EMOLS-id_36637895,PC-id_53533627	387.476	GGEQFWFREMWIMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106481
COc1ccc(c(c1)OC)NC(=O)CC(NCc1nnc2n1CCCCC2)C	EMOLS-id_50952546,PC-id_121846682,MCULE-9927079498	387.476	WYRFIJPHROEUFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106482
COc1ccc([C@H](C)NC(=O)NCCc2nnc3n2CCCCC3)cc1OC	PC-id_52215942,ZINC22_45383468	387.476	GGEQFWFREMWIMG-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106483
COc1ccc([C@@H](C)NC(=O)NCCc2nnc3n2CCCCC3)cc1OC	PC-id_52215943,ZINC22_45383472	387.476	GGEQFWFREMWIMG-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106484
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c(O)c1	CoCoCo_1331844,ZINC22_12164706,CoCoCo_1331845	387.476	RYACFMHFFRXSAJ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106485
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(O)c1	ZINC22_12164701,CoCoCo_1331842,CoCoCo_1331843	387.476	RYACFMHFFRXSAJ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106486
COc1cc(CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)ccc1O	CoCoCo_1139314,CoCoCo_1139315,ZINC22_12053392,PC-id_42379840,MCULE-3636045742,EMOLS-id_20405650	387.476	CLXRECNKNHAOIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106487
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)ccc1O	CoCoCo_1355011,ZINC22_12280288,CoCoCo_1355010	387.476	SKOHTOQTNNBBQI-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106488
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)ccc1O	ZINC22_12280290,CoCoCo_1355012,CoCoCo_1355013	387.476	SKOHTOQTNNBBQI-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106489
COc1cc(CNC(=O)C2CCn3c(CC2)nnc3)ccc1OCCN(C)C	EMOLS-id_319727158	387.476	ZWJBGGKBLOHDDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106490
COc1ccc(O)c(CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)c1	EMOLS-id_20540549,ZINC22_12161867,CoCoCo_1329949,MCULE-8640115905,PC-id_42437749,CoCoCo_1329950	387.476	FBVXEJFXMQEUFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106491
COc1cc(O)ccc1CN1CCc2nnc([C@@H](C)NC(=O)C(C)C)n2CC1	CoCoCo_1363484,ZINC22_12282548,CoCoCo_1363483	387.476	ZQVKKIATHUPYRC-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106492
COc1cc(O)ccc1CN1CCc2nnc([C@H](C)NC(=O)C(C)C)n2CC1	CoCoCo_1363486,ZINC22_12282550,CoCoCo_1363485	387.476	ZQVKKIATHUPYRC-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106493
COCCC(=O)NC(c1nnc2n1CCN(CC2)Cc1ccccc1OC)C	PC-id_45168548,ChEMBL-DNDi_CHEMBL10554680	387.476	FIHWRPCOXQVOMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106494
COCCC(=O)NC(C)c1nnc2CCN(Cc3cccc(OC)c3)CCn12	PC-id_45202346,MCULE-6538310977,EMOLS-id_20538653	387.476	YQUQSOVLYSDPON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106495
COCCC(=O)NC(C)c1nnc2CCN(C/C(=C/c3ccco3)/C)CCn12	EMOLS-id_44852787,PC-id_45207612	387.476	DLRGECTZSQFJDE-FYWRMAATSA-N	00000000101000000101000000000010000000000000000000000000	31-01-106496
COCCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1ccccc1OC)C	CoCoCo_1121098,PC-id_42213837,CoCoCo_1121099	387.476	FIHWRPCOXQVOMN-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106497
COCCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1ccccc1OC)C	CoCoCo_1121100,PC-id_42213833,CoCoCo_1121101	387.476	FIHWRPCOXQVOMN-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106498
COCCC(=O)N[C@@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccco1)/C)C	CoCoCo_1360950,CoCoCo_1360948	387.476	DLRGECTZSQFJDE-UGEDRFTOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-106499
COCCC(=O)N[C@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccco1)/C)C	CoCoCo_1360954,CoCoCo_1360952	387.476	DLRGECTZSQFJDE-KGAUPUERSA-N	00000000101000000101000000000010000000000000000000000000	31-01-106500
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(OC)c1)CC2	CoCoCo_1327218,CoCoCo_1327217,PC-id_42436204,ZINC22_12158996	387.476	YQUQSOVLYSDPON-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106501
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(OC)c1)CC2	PC-id_42436201,ZINC22_12158993,CoCoCo_1327219,CoCoCo_1327220	387.476	YQUQSOVLYSDPON-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106502
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(C/C(=C/c1ccco1)/C)CC2	ZINC22_64093570,CoCoCo_1360955,CoCoCo_1360953	387.476	DLRGECTZSQFJDE-MDJJKAFGSA-N	00000000101000000101000000000010000000000000000000000000	31-01-106503
COCCC(=O)N[C@H](C)c1nnc2n1CCN(C/C(=C/c1ccco1)/C)CC2	ZINC22_64093571,CoCoCo_1360949,CoCoCo_1360951	387.476	DLRGECTZSQFJDE-QJPKHSJYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-106504
COCCn1nc2n(c1=O)CCC(CC2)CC(=O)N(CCc1ccccn1)C	EMOLS-id_207877376,MCULE-7955112000	387.476	HJXSPJWVCXGRNT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-106505
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O1C(CN(CC1C)Cc1nn2c(CN(CCC2)C(=O)Cc2onc(c2)C)c1)C	PC-id_76436243	387.476	LPQXSRCTXIEXNL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106508
OC1CN(CCC1)Cc1nn2c(CN(CCC2)C(=O)c2c(onc2)CCC)c1	PC-id_56897754	387.476	VASKMIGNNPFYLC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106509
O(c1c(NC(=O)NCCc2n3CCCCCc3nn2)ccc(c1)C)CCOC	PC-id_60486667	387.476	HETMOKUIEPTYOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106510
O(c1c(NC(=O)NCCc2n3CCCCCc3nn2)cccc1)CCCOC	PC-id_60570861	387.476	DTBGDZNDGQFNJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106511
O=C(c1ccc(s1)NC(=O)c1ccco1)Nc1nc2c(s1)CCCCC2	EMOLS-id_257868213,MCULE-9100653302	387.476	UDIPBNHVGDTIBW-UHFFFAOYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-106512
O=C(CCN1C(=O)C2C(C1=O)CCCC2)NCCc1nnc2n1CCCCC2	EMOLS-id_98390537	387.476	IRYXUPQAWHCLGA-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-106513
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s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1sccn1)C#N	PC-id_55837259	387.476	PCTGCHSBCNDOLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106516
s1c2CCCCCc2c(c1NC(=O)CSc1ncccc1C(=O)O)C#N	PC-id_4148364	387.476	REOFFBJSDBISJU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-106517
c1ccc(cn1)C(c1cc2c(o1)cccc2)NCCc1nnc2n1CCCCC2	MCULE-1480424699,EMOLS-id_48819300,PC-id_75449531	387.477	JMSJXLRFQNOEAI-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-106518
COc1ccc(cc1)n1c(C)cc(c1C)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3456424,PC-id_6223692	387.477	BLZQDWASCDYCNW-XMHGGMMESA-N	00000000110000110101100000000010000000000000000000000000	31-01-106519
COc1ccc(cc1)n1c(C)cc(c1C)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3456425	387.477	BLZQDWASCDYCNW-RGEXLXHISA-N	00000000110000110101100000000010000000000000000000000000	31-01-106520
COc1ccc(cc1)n1c(C)cc(c1C)C=C(c1nnc2n1CCCCC2)C#N	MCULE-8738808604,PC-id_4875428,EMOLS-id_26092939	387.477	BLZQDWASCDYCNW-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-106521
COc1ccccc1n1c(C)cc(/C=C(C#N)/c2nnc3n2CCCCC3)c1C	CHEMBL4555293,PC-id_6223690,CoCoCo_3456454	387.477	RDDUMVPVAFWDKJ-XMHGGMMESA-N	00000000110000110101100000000010000000000000000000000000	31-01-106522
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N#Cc1ccccc1COc1cccc(c1)CNCc1nnc2n1CCCCC2	PC-id_119126337,EMOLS-id_51760530,MCULE-3748996915	387.477	GVXJYSOWYRLYQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106524
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c1cncc([C@@H](NCCc2nnc3n2CCCCC3)c2cc3ccccc3o2)c1	PC-id_97341605,ZINC22_95996240	387.478	JMSJXLRFQNOEAI-HSZRJFAPSA-N	00000000100000101101000001000010000000000000000000000000	31-01-106527
c1cncc([C@H](NCCc2nnc3n2CCCCC3)c2cc3ccccc3o2)c1	ZINC22_95996241,PC-id_97341606	387.478	JMSJXLRFQNOEAI-QHCPKHFHSA-N	00000000100000101101000001000010000000000000000000000000	31-01-106528
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Cc1cccn2cc(CN3CCCn4nc([C@H](O)c5ccccc5)cc4C3)nc12	ZINC22_230523518	387.478	OOJDIIDGOJVEIZ-JOCHJYFZSA-N	00000000100000110101000001000010000000000000000000000000	31-01-106531
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O/C(=C/Sc1nnc2n1CCCCC2)/NC(=O)N[C@@H]1CCS(=O)(=O)C1	CoCoCo_3654415,CoCoCo_3654418	387.478	JZKRAXHPGWOSMB-ZDIKFAODSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106536
O/C(=C/Sc1nnc2n1CCCCC2)/NC(=O)N[C@H]1CCS(=O)(=O)C1	CoCoCo_3654417,CoCoCo_3654421	387.478	JZKRAXHPGWOSMB-MJWAUXSNSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106537
O/C(=CSc1nnc2n1CCCCC2)/NC(=O)N[C@@H]1CCS(=O)(=O)C1	CoCoCo_3654419,CoCoCo_3654414	387.478	JZKRAXHPGWOSMB-BKLZJWBFSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106538
O/C(=CSc1nnc2n1CCCCC2)/NC(=O)N[C@H]1CCS(=O)(=O)C1	CoCoCo_3654420,CoCoCo_3654416	387.478	JZKRAXHPGWOSMB-UVIKPUKZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106539
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CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccnn1CC1CCOC1	EMOLS-id_100419975	387.479	YNSCQXMDHJVCGS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106544
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c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)OC)C(=O)OC(C)C	ZINC22_996454,TIMTEC352052,SPECS-id_AK-968/12117034,MCULE-2780868370,EMOLS-id_1094648,CoCoCo_5816734,PC-id_1221181	387.492	OEJSYAGKOLPAPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106549
c1(c2CCCCCc2sc1NC(=O)COc1ccccc1)C(=O)OC(C)C	MCULE-4055608982,ZINC22_2737378,EMOLS-id_2369256,CoCoCo_6792146,TIMTEC187029,PC-id_2163527	387.492	HCPZJAAWWFRTJF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106550
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_4134791,CoCoCo_5015585,PC-id_5192475,EMOLS-id_5394556,MCULE-7079620903	387.492	BKGQRMLIXFYTGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106551
c1(NC(=O)c2ccccc2OC)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_1742646,ZINC22_2083770,SPECS-id_AK-968/12163018,MCULE-8729542943,CoCoCo_741555,TIMTEC319941,EMOLS-id_1133415	387.492	MUOSBKGHUJGHSD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106552
c1(NC(=O)c2ccccc2OC)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4065481,ZINC22_995368,SPECS-id_AK-968/11987477,CoCoCo_5815934,TIMTEC24962,PC-id_1220356,MCULE-1233508262	387.492	AAMVYKONSDATRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106553
c1(NC(=O)c2ccc(cc2)OC)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC213967,MCULE-1353829581,ZINC22_6047441,CoCoCo_6846057,PC-id_4174892,EMOLS-id_5395088	387.492	IGQYBUSGIJSCBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106554
c1(NC(=O)CCc2ccc(OC)cc2)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_684273,TOSLab_8554,ZINC22_3766195,PC-id_2717530,TIMTEC363573,MCULE-2201394801,EMOLS-id_1095724	387.492	ORHIMSUTTOLFAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106555
c1(NC(=O)C(C)Oc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_2226771,PC-id_2946909,MCULE-9472959362	387.492	IVEMBEUESURQIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106556
c1(NC(=O)COc2ccccc2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4018868,ZINC22_4451715,EMOLS-id_6777944,CoCoCo_1755014,MCULE-9741819537	387.492	IERDXNGEVCGPHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106557
c1(NC(=O)COc2ccc(cc2)C)sc2c(CCCCCC2)c1C(=O)OC	MCULE-1146237746,PC-id_1028336,SPECS-id_AK-968/40734069,CoCoCo_6817556,ZINC22_695903,EMOLS-id_4065503,TIMTEC344199	387.492	NVQMKBFNTPPLKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106558
c1(NC(=O)COc2ccccc2)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-3633560548,EMOLS-id_4065487,CoCoCo_6827876,TIMTEC372660,ZINC22_6047372,GD-id_ZINC06047372,PC-id_4168893	387.492	PBMAQVIXDGVSPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106559
CCOC(=O)c1c(NC(=O)Cc2ccc(cc2)OC)sc2c1CCCCC2	GD-id_ZINC06047379,PC-id_4458833	387.492	JTKGPZKEYQYQNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106560
CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc2c1CCCCC2	CoCoCo_961698,PC-id_2197449,ZINC22_2841883	387.492	IVEMBEUESURQIL-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106561
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc2c1CCCCC2	PC-id_2197448,ZINC22_2841884,CoCoCo_961697	387.492	IVEMBEUESURQIL-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106562
COC(=O)CCOc1ccccc1NC(=O)c1cc2c(s1)CCCCCC2	MCULE-7883737678,EMOLS-id_42907133,ZINC22_72298146,PC-id_72124528	387.492	KMISXPOZXCYZRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106563
[OH+]=C1C=CC(=C(c2cc(c3-c2ccccc3)C)c2cc(c3-c2ccccc3)C)C=C1	PC-id_101706328	387.492	HDFAQXNKABLHOE-UHFFFAOYSA-O	00000010100011000110000000000010000000000000000000000000	31-01-106564
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(OC)ccc(c1)C)C	PC-id_78644145	387.492	QIBHEZGGRLLIGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106565
s1c2CCCCCc2cc1C(=O)OCC(=O)N(Cc1ccc(OC)cc1)C	PC-id_45647901	387.492	LBJKHGZWZBPOKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106566
s1c2CCCCCc2cc1C(=O)OC(C(=O)NCc1ccc(OC)cc1)C	PC-id_78518113	387.492	DQPBMQVLKHIZCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106567
s1c2CCCCCc2cc1C(=O)OC(C(=O)NCc1c(OC)cccc1)C	PC-id_55418372	387.492	WEUUPIWFCNBXIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106568
s1c2CCCCCc2cc1C(=O)OCC(=O)N(Cc1c(OC)cccc1)C	PC-id_7533386	387.492	DPIIUEBHZPOFIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106569
s1c2CCCCCc2cc1C(=O)OCC(=O)NCCc1ccc(OC)cc1	PC-id_2665066	387.492	NBOUOHZSVNNMAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106570
s1c2CCCCCc2cc1C(=O)OCC(=O)NCCc1c(OC)cccc1	PC-id_9403086	387.492	BMKHMIKUTCMTLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106571
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(OC)ccc(c1)C)C	PC-id_8254706	387.492	QIBHEZGGRLLIGH-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106572
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(OC)ccc(c1)C)C	PC-id_8254708	387.492	QIBHEZGGRLLIGH-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106573
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)NCc1ccc(OC)cc1)C	PC-id_7649929	387.492	DQPBMQVLKHIZCA-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106574
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)NCc1ccc(OC)cc1)C	PC-id_7649932	387.492	DQPBMQVLKHIZCA-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106575
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)NCc1c(OC)cccc1)C	PC-id_8254759	387.492	WEUUPIWFCNBXIZ-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106576
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)NCc1c(OC)cccc1)C	PC-id_8254763	387.492	WEUUPIWFCNBXIZ-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106577
s1c2c(CCCCC2)c(c1NCc1c(OC(=O)C)cccc1)C(=O)OCC	PC-id_23826808	387.492	NTFYAVDKGJBHQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106578
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OC)cc1)C(=O)OCCC	PC-id_3698664	387.492	PERYNQSKKCMAPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106579
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OC(C)C)cc1)C(=O)OC	PC-id_4295688	387.492	XURLECQWGBDUJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106580
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)ccc1)C(=O)OC(C)C	PC-id_3676530	387.492	FXENUNGNVDUWEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106581
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)ccc1)C(=O)OCCC	PC-id_4142735	387.492	QNAQNSGEUIUEDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106582
s1c2c(CCCCC2)c(c1NC(=O)c1c(OC)cccc1)C(=O)OC(C)C	PC-id_3336389	387.492	BCKJEWOUHHNEDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106583
s1c2c(CCCCC2)c(c1NC(=O)c1c(OCC)cccc1)C(=O)OCC	PC-id_4346170	387.492	PGAZDTYUIOZJHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106584
s1c2c(CCCCC2)c(c1NC(=O)Cc1cc(c(OC)cc1)C)C(=O)OC	PC-id_16848140	387.492	FPWHBRBTQHEJCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106585
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(OCC)cc1)C(=O)OC	PC-id_8719768	387.492	YOJCOMINRFRPTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106586
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1oc(cc1)C)C(=O)OC(C)C	PC-id_5048158	387.492	SLZYBROFDVFOLF-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-106587
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1oc(cc1)C)C(=O)OCCC	PC-id_5219635	387.492	WJGQNNVVNAYDCZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-106588
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1oc(cc1)C)C(=O)OC(C)C	PC-id_6257559	387.492	SLZYBROFDVFOLF-VAWYXSNFSA-N	00000000101000000100000000000010000000000000000000000000	31-01-106589
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1oc(cc1)C)C(=O)OCCC	PC-id_6305127	387.492	WJGQNNVVNAYDCZ-VAWYXSNFSA-N	00000000101000000100000000000010000000000000000000000000	31-01-106590
s1c2c(CCCCC2)c(c1NC(=O)C(Oc1ccccc1)CC)C(=O)OC	PC-id_4113585	387.492	DEMWYCITPXOQJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106591
s1c2c(CCCCC2)c(c1NC(=O)COc1ccccc1)C(=O)OCCC	PC-id_4415093	387.492	OBPJYAISXBSXKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106592
s1c2CCCCCCc2cc1C(=O)Nc1c(cc(OCC(=O)OC)cc1)C	PC-id_52705291	387.492	BMMQMJCQGBPPCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106593
s1c2CCCCCCc2cc1C(=O)OC(C(=O)Nc1c(OC)cccc1)C	PC-id_78513534	387.492	PIOPTDREFVSAEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106594
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCc1cc(OC)ccc1	PC-id_16512666	387.492	JMFRWJCUYRECLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106595
s1c2CCCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(OC)cccc1)C	PC-id_7618456	387.492	PIOPTDREFVSAEZ-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106596
s1c2CCCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(OC)cccc1)C	PC-id_7618461	387.492	PIOPTDREFVSAEZ-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106597
s1c2c(CCCCCC2)c(c1NC(=O)c1ccc(OCC)cc1)C(=O)OC	PC-id_4196300	387.492	YHYZRHRLTIWXAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106598
s1c2c(CCCCCC2)c(c1NC(=O)c1cc(OC)ccc1)C(=O)OCC	PC-id_4462808	387.492	LOLALPVIKLIUEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106599
s1c2c(CCCCCC2)c(c1NC(=O)c1c(OCC)cccc1)C(=O)OC	PC-id_5112851	387.492	FYUQKEWCKHNMPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106600
s1c2c(CCCCCC2)c(c1NC(=O)Cc1ccc(OC)cc1)C(=O)OC	PC-id_3443236	387.492	RSUBXDYUGCRDSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106601
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1oc(cc1)C)C(=O)OCC	PC-id_4096482	387.492	OVUKVLFXSYZPFA-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-106602
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1oc(cc1)C)C(=O)OCC	PC-id_6379072	387.492	OVUKVLFXSYZPFA-OUKQBFOZSA-N	00000000101000000100000000000010000000000000000000000000	31-01-106603
S(=O)(=O)(C1Cc2cc(oc2)CCC=CCCCCNC1=O)c1ccccc1	PC-id_11784026	387.493	QWPBOYMWIBGQGZ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-106604
c1(c(C)nc(c2ccc(cc2)F)s1)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-6838401028,EMOLS-id_323320862	387.494	CQRUKQNIXDSZIA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106605
c1(C(=O)Nc2sc3c(CCCCC3)n2)nc(sc1c1ccc(cc1)F)C	MCULE-2814529421,EMOLS-id_323456014	387.494	WKCYYXULQLPEFT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106606
c1(NC(=O)Cc2csc(c3ccc(cc3)F)n2)sc2c(CCCCC2)n1	EMOLS-id_320483908,MCULE-3022033273	387.494	ZPDALZOQGFKIDP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106607
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CCC(CN1CCc2n(CC1)c(nn2)CCNC(=O)Cc1ccc(cc1)F)C	ChEMBL-DNDi_CHEMBL49673671	387.494	NYUIJNFVAYTPHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106612
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COc1ccc(cc1)C(=O)c1c2-c(c(c1C)Cc1scc(n1)C)ccccc2	PC-id_139814868	387.494	QPKIHHCYJASSQY-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-106614
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C[C@@H]1CCc2sc(C(=O)N3CCCn4nc(CCC(=O)O)cc4C3)cc2C1	ZINC22_72457327,PC-id_95885379	387.496	GHSKXKBBRATZLC-CYBMUJFWSA-N	00000000100010000101000000010010000000000000000000000000	31-01-106630
CCN(CC)C(=O)c1nc2CCN(CCc2s1)C(=O)c1cccc(OC)c1	PC-id_97442565,EMOLS-id_44304052,ZINC22_96147041	387.496	CBGDICSEPLEJTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106631
CCN(CC)C(=O)c1nc2CCN(CCc2s1)C(=O)c1ccc(OC)cc1	PC-id_97442566,ZINC22_96147042,EMOLS-id_44304054	387.496	QLRIXYCXEFTVOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106632
CCOC(=O)c1c([nH]c(c1C)/C=N/NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_135739777	387.496	OJCSXUIMNIVOJR-SRZZPIQSSA-N	00000000110000000100000000000010000000000000000000000000	31-01-106633
COc1ccc(cc1)C(=O)N1CCc2nc(sc2CC1)C(=O)NCC(C)C	EMOLS-id_44379354,ZINC22_96264760,PC-id_97524693	387.496	JGXSRQLCTAGSHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106634
COc1cccc(c1)C(=O)N1CCc2nc(sc2CC1)C(=O)NCC(C)C	ZINC22_96146972,EMOLS-id_44303912,PC-id_97442496	387.496	CSSPZYMIYHAYDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106635
COc1cccc(c1)SCC(=O)N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O	PC-id_100048585	387.496	QKTSDKVECZLWPP-FQEVSTJZSA-N	00100000100000110101000000000010000000000000000000000000	31-01-106636
COc1cccc(c1)SCC(=O)N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O	PC-id_100048587	387.496	QKTSDKVECZLWPP-HXUWFJFHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-106637
COc1cc(ccc1)SCC(=O)N1CCCn2c(cc(n2)C(C2CC2)O)C1	PC-id_91773858	387.496	QKTSDKVECZLWPP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-106638
COc1cccc(CN2CCc3nc(C(=O)N4CCOCC4)sc3CC2)c1	PC-id_97442542,EMOLS-id_44304004,ZINC22_96147018	387.496	HDCZABBCBBETBG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106639
O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)n1ncc(c1C)C(=O)O	PC-id_121972127	387.496	JGEVUVAJDWLTFA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-106640
O=C(c1sc2c(c1)CCCCCC2)N1CCC(CC1)n1ncc(c1)C(=O)O	PC-id_121975678	387.496	BMTMVQGDFICOKU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-106641
O=C(Cn1c2c(sc1=O)CCCCC2)Nc1ccc(N2CCOCC2)cc1	EMOLS-id_50320774,ZINC22_112973041,MCULE-1449325121,PC-id_99123338	387.496	TWOUSYKSSDVUQU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106642
s1c2CCCCCc2cc1C(=O)NNC=C1N=C(C(=C1C)C(=O)OCC)C	PC-id_9294708	387.496	OAGBSHLKWZUYCZ-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-106643
s1c2CCCCCc2cc1C(=O)NNC(=O)c1[nH]c(c(c1CC)C(=O)C)C	PC-id_52670571	387.496	GHPXZFNSCNEXGT-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-106644
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1n(ncc1)C1CCCC1	PC-id_7649786	387.496	HDUWZSKSTACMPC-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-106645
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1[nH]c(c(c1C)C(=O)C)C	PC-id_31717509	387.496	KCLLFUXFDAIPAL-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-106646
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNc1ccc(OC)cc1	PC-id_52485080	387.496	OMHWKIOXJCBAQD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106647
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNc1c(OC)cccc1	PC-id_60362553	387.496	LWRGSUPEMIHAQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106648
s1c2CCCCCCc2nc1NC(=O)CNC(=O)c1ccc(OCC)cc1	PC-id_56020949	387.496	DPCLSGVTEZEQIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106649
s1c2CCCCCCc2nc1NC(=O)CNC(=O)c1c(OCC)cccc1	PC-id_56021982	387.496	BNWGYVHFOWUMJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106650
N#Cc1c(F)cccc1N1CC[NH+](CC1)Cn1nc2n(c1=S)CCCCC2	GD-id_ZINC42094795	387.497	QFVRIWLAVZQZEK-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-106651
c12CN(CCCn1nc(CNC(=O)Cc1csc(C)n1)c2)C(=O)C1CCC1	ZINC22_91657332,MCULE-8644737623,EMOLS-id_46063083,PC-id_72890217	387.499	GVBAEQBEZSBDQG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-106652
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc2c(c1)n(C)cc2	MCULE-2154623241,ZINC22_91914956,PC-id_72920622,EMOLS-id_46085231	387.499	WVJCEXVOYQCNIJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-106653
c1(C(=O)N2CCCC(CNC(=O)c3ccsc3)C2)nnc2CCCCCn12	EMOLS-id_290030322,MCULE-6763537982	387.499	HKGBSYAXCONUDW-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106654
Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc3n2CCCCC3)cc1	PC-id_7876716,MCULE-8397602941,ZINC22_6097166,EMOLS-id_23530268,CoCoCo_3081445	387.499	BVITWJMPKQNIEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106655
CC(C)N(C)CC(=O)N1CCc2nc(C(=O)N=c3cc[nH]cc3)sc2CC1	ZINC22_1565554462,EMOLS-id_313793339	387.499	RUSZTWMAFCWDCT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-106656
N#Cc1c(NC(=O)C(N2CCN3C(C2)CNC3=O)C)sc2c1CCCCC2	EMOLS-id_100733078	387.499	VCZKVXRCWQAHDA-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-106657
N#Cc1c(NC(=O)Cn2c(C)nn(c2=O)C(C)(C)C)sc2c1CCCCC2	EMOLS-id_99071180	387.499	MAVAZRJNGGQKDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106658
o1c([C@H]([NH+]2CCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	GD-id_ZINC47882616,PC-id_52272265	387.499	NVSLCCHUCJNOIW-MRXNPFEDSA-O	00000010101000000101000000000010000000000000000000000000	31-01-106659
o1c([C@@H]([NH+]2CCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52272267	387.499	NVSLCCHUCJNOIW-INIZCTEOSA-O	00000010101000000101000000000010000000000000000000000000	31-01-106660
o1c(C([NH+]2CCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_75817968	387.499	NVSLCCHUCJNOIW-UHFFFAOYSA-O	00000010101000000101000000000010000000000000000000000000	31-01-106661
O=C(C1CCCCN1C(=O)c1cccs1)NCc1nnc2n1CCCCC2	EMOLS-id_320298485,MCULE-3542070467,PC-id_138996372	387.499	WHBJZUCLQSYURQ-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106662
O=C(CSc1nnc2n1CCCCC2)Nc1ccc(N2CCOCC2)cc1	CoCoCo_3082114,ChEMBL-DNDi_CHEMBL1898243,PC-id_2516407,EMOLS-id_3300027,ZINC22_3397935,MCULE-4124122661	387.499	VVTFUZPCSVPXKE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106663
O=C(N1CCCN(CC1)C(=O)c1ccc[nH]1)Nc1nc2c(s1)CCCCC2	PC-id_100905351	387.499	IZCBFKMDZGAMIN-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-106664
O=C(Nc1nc2c(s1)CCCCC2)NCc1cccnc1N1CCOCC1	PC-id_100905640	387.499	QQUANODXVJKMLD-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-106665
O=C(NCc1nnc2n1CCCCC2)[C@H]1CCCCN1C(=O)c1cccs1	ZINC22_123206329	387.499	WHBJZUCLQSYURQ-CQSZACIVSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106666
O=C(NCc1nnc2n1CCCCC2)[C@@H]1CCCCN1C(=O)c1cccs1	ZINC22_123206490	387.499	WHBJZUCLQSYURQ-AWEZNQCLSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106667
O=C(NC[C@@H]1CCCN(C(=O)c2nnc3n2CCCCC3)C1)c1ccsc1	ZINC22_952980124	387.499	HKGBSYAXCONUDW-AWEZNQCLSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106668
O=C(NC[C@H]1CCCN(C(=O)c2nnc3n2CCCCC3)C1)c1ccsc1	ZINC22_952980128	387.499	HKGBSYAXCONUDW-CQSZACIVSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106669
s1c2CCCCCc2cc1C(=O)NCC1NC(NC(=O)C1)c1ncn(c1)C	PC-id_75258624	387.499	OWIFFNWHAINXOD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-106670
s1c2CCCCCc2c(c1NC(=O)C(N(Cc1onc(n1)CC)C)C)C#N	PC-id_56469959	387.499	BMTJVPATYHVCGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106671
s1c(C(=O)N2CCC(CC2)C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_51266346	387.499	IPOSIPCLSFMGTG-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106672
S(c1c(C(=O)NCc2n3CCCCCc3nn2)cccc1)CC(=O)N(C)C	PC-id_24676674	387.499	HFQJOEQLKRXFMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106673
S(c1n2CCCCCc2nn1)C(C)C(=O)NC(=O)Nc1c(cc(cc1)C)C	PC-id_43046719	387.499	QFDNLJREIDBBNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106674
S(c1n2CCCCCc2nn1)CC(=O)N1CCN(CC1)c1ccc(O)cc1	PC-id_8332791	387.499	XALMCISHDVDHQV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106675
S(c1n2CCCCCc2nn1)CC(=O)N(CCC(=O)N)Cc1ccccc1	PC-id_42346636	387.499	NBASWNQFQMNNQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106676
S(c1n2CCCCCc2nn1)CC(=O)NCC(=O)Nc1c(cccc1C)C	PC-id_7877563	387.499	AWWACPZOHJGQBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106677
S(c1n2CCCCCc2nn1)CC(=O)NCC(=O)Nc1c(CC)cccc1	PC-id_8379408	387.499	QZVOSSMAGPAGPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106678
S(CC(=O)NCc1n2CCCCCc2nn1)CC(=O)Nc1cc(ccc1)C	PC-id_51266308	387.499	ZTJOGTKLXFPNGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106679
c1(C(=O)N2CC[C@H]3[C@H](CN3Cc3cnc(N)s3)C2)nnc2CCCCCn12	PC-id_138810470,EMOLS-id_317885670,ZINC22_1775983068,MCULE-3158455329	387.502	HGRPLUXGBUPTHY-JSGCOSHPSA-N	00001000100010000101001000000010000000000000000000000000	31-01-106680
CC(N1CCCn2c(C1)cc(n2)C(=O)NCCc1cn2c(n1)sc(n2)C)C	EMOLS-id_32384718,MCULE-8541330701,PC-id_50956874	387.502	TTYPIHHIHJVUIH-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-106681
O=C(c1c2CCC#CCCc2c(n1C(C)C)C(=O)OC(C)(C)C)OC(C)(C)C	PC-id_140907586	387.512	HFUQRXRQFPLMKR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-106682
CCCCC(C(=O)N1CCCc2occc2C1)(c1ccccc1)c1ccccc1	ZINC22_2325825395	387.514	ORKJSXPJIVNAPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106683
CCCCNOCCONC(=O)Cc1ccc2-c(cc1)cc(c2)N(CC)CC	PC-id_141009985	387.516	ZGTYQHCJXQTNKF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-106684
CN(c1ccc(cc1)C(c1ccc2-c1ccccc2)c1ccc2-c1ccccc2)C	SCHEMBL8047489,PC-id_15778688	387.516	HOGKHHGCHJSBSW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-106685
O=C(N1CCN(CC1)C(=O)c1noc2c1CCCCC2)CCC1CCCCC1	EMOLS-id_100940397	387.516	XJKGJWDFAGDTMB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106686
s1c2c(CCCCC2)c(c1NC(=O)C[n+]1c(ccc(c1)CC)C)C(=O)OC	PC-id_8861221	387.516	RUKONXBNFMCORU-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-106687
s1c2c(CCCCC2)c(c1NC(=O)C[n+]1ccc(CCC)cc1)C(=O)OC	PC-id_8877355	387.516	HJJHKMYZVYDBRR-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-106688
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+]Cc1ccccc1)C(=O)OCC	PC-id_3492963	387.516	NCAKCTVBELEJGT-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-106689
c1(ccc2CN(CCCn12)Cc1ccccc1)C(=O)N(CC)Cc1ccccc1	EMOLS-id_317415514,MCULE-1107008701	387.517	FCZMLOGQZZMGJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106690
c1(C(O)C2CC2)cc2n(CCCN(Cc3ccc(cc3)c3cccc(C)c3)C2)n1	PC-id_90649606,EMOLS-id_50534195,MCULE-7989607745	387.517	PEKVGBZOOLOKIE-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-106691
Cc1cccc(c2ccc(CN3CCCn4nc([C@@H](O)C5CC5)cc4C3)cc2)c1	PC-id_100048904,ZINC22_219864460	387.517	PEKVGBZOOLOKIE-VWLOTQADSA-N	00100000100000110101100000000010000000000000000000000000	31-01-106692
Cc1cccc(c2ccc(CN3CCCn4nc([C@H](O)C5CC5)cc4C3)cc2)c1	ZINC22_219864508,PC-id_100048905	387.517	PEKVGBZOOLOKIE-RUZDIDTESA-N	00100000100000110101100000000010000000000000000000000000	31-01-106693
CC/C(=Cc1cc(ccc1C)N1CCN(CC1)C)/c1c(=O)[nH]c2-c1ccccc2	PC-id_144080661	387.517	SVUBZULTZYPKMB-KNTRCKAVSA-N	00000010100010110111100000000010000000000000000000000000	31-01-106694
O=C(CNc1ccc(cc1)C)N/N=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	CoCoCo_3511290	387.517	MEERLPHTUAHZLX-VYYCAZPPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-106695
O=C(CNc1ccc(cc1)C)NN=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_25699264,EMOLS-id_26121509,MCULE-5078812676	387.517	MEERLPHTUAHZLX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-106696
O=C(CNc1ccc(cc1)C)N/N=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_42912576,CoCoCo_3511289	387.517	MEERLPHTUAHZLX-MZJWZYIUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-106697
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(CCC(C)C)CCn12	MCULE-3440640237,EMOLS-id_20393016,PC-id_45168804	387.519	CTWCSEOUSGJPGW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-106698
c1(C(C(C)C)NC(=O)CC)nnc2CCN(C(=O)CC3=CCCCC3)CCn12	PC-id_45214618,MCULE-4325552617,EMOLS-id_20591773	387.519	UXIAXANGSDANMQ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-106699
c1(CN(C)C(=O)CC2N(CCNC2=O)C/C=C(C)/C)c2CCCCCc2[nH]n1	EMOLS-id_43172908,MCULE-1826587622,PC-id_56914565	387.519	OZZHWMDZBIZNNU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106700
c1(NC(=S)NC(=O)c2ccccc2)sc2c(CCCCCC2)c1C(=O)N	MCULE-4424866963,ZINC22_2316289,PC-id_1932873,CoCoCo_1740198,STOCK2S-75091,EMOLS-id_4456934,TIMTEC414027	387.519	QVNULYIZVKAIOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106701
Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_32125321,PC-id_21234847	387.519	MFVXBALZIUWYPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106702
Cc1cccc(c1)NC(=S)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_3407895,MCULE-4607476337	387.519	PSHDFRUWHKXBHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106703
Cc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)c1	ZINC22_32125138,PC-id_20166111	387.519	SJFLBTZDRQTUMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106704
Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	ZINC22_32125406,PC-id_20166113	387.519	QDJHHDXZXMHIPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106705
Cc1cc(C(=O)Cn2c3c(sc2=O)CCCCC3)c(C)n1c1nccs1	MCULE-9833937688,ZINC22_112973406,EMOLS-id_50561398,PC-id_99123339	387.519	CBWMSNIEQWSFOV-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-106706
Cc1sc2nc(COC(=O)c3cc4c(s3)CCCCC4)nc(N)c2c1C	ZINC22_14075162,PC-id_17558328,EMOLS-id_12001245,CoCoCo_4378795,MCULE-9976534835	387.519	NIMRMZIFHMGIBC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106707
CCC/C=C/c1nc(c2n1CCCN(C2)C)C(=O)/N=C(C(C)(C)C)/C(=O)NC	SCHEMBL15247968	387.519	VEHVUNOZVKSLFH-AKLLQJKUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106708
CCCC=Cc1nc(c2n1CCCN(C2)C)C(=O)N=C(C(=O)NC)C(C)(C)C	PC-id_89797041	387.519	VEHVUNOZVKSLFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106709
CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=CC1CC1)C	PC-id_87208791,SCHEMBL1175031	387.519	UNPZPOSILSAKER-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-106710
CC(C)CCN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1	CoCoCo_1122477,ZINC22_11880375,CoCoCo_1122476,PC-id_42246163	387.519	CTWCSEOUSGJPGW-QGZVFWFLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-106711
CC(C)CCN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1	CoCoCo_1122478,ZINC22_11880376,PC-id_42246165,CoCoCo_1122479	387.519	CTWCSEOUSGJPGW-KRWDZBQOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-106712
CC(=CCN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1n[nH]c2c1CCCCC2)C	PC-id_95728229,ZINC22_72168864	387.519	OZZHWMDZBIZNNU-LJQANCHMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106713
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O=C(Nc1ccc(Sc2nncs2)cc1)c1cc2c(s1)CCCCC2	EMOLS-id_35729828,MCULE-4932941949,ZINC22_65576790,PC-id_53516590	387.542	ZZYBJTIQMQLSNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106795
s1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc(c1C)CC	PC-id_51304054	387.542	GCHQPLKGJPDURJ-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106796
s1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc(c1CC)C	PC-id_51308086	387.542	PDUMIVGUHMMKMQ-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106797
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(N(C(C)C)CC)cc1	PC-id_30789946	387.542	RGDJRHZDIONHQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106798
S(c1n2CCCCCc2nn1)CC(=O)NCCN(CC)c1cc(ccc1)C	PC-id_8332796	387.542	WQSSSHKNSLGGJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106799
S=c1n2CCCCCc2nn1CN1CCN(CC1)c1c(OCC)cccc1	PC-id_8145213	387.542	DGJJMCNADXQOIN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106800
S=c1n2CCCCCc2nn1CN(Cc1ccc(N2CCOCC2)cc1)C	PC-id_8413209	387.542	FCSGLYIZMZZVOY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106801
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1cccs1	PC-id_109720119	387.545	RONNCXMJYGPYIF-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-106802
CN=C(NC1CCN(CC1)c1cccs1)NCc1nnc2n1CCCCC2	PC-id_109652559	387.545	BMKPLBRTPWDUOQ-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-106803
Nc1nc2c(s1)CCN(CCCCN1CCN(c3ncccn3)CC1)CC2	CHEMBL4435367	387.545	SITUEGLHNDXECQ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-106804
CC(c1ccc(c2-c(c1)c(C)cc2C(=NCCCc1ccccn1)N(C)C)C)C	PC-id_139705191	387.56	NEMOVVIQXDJXKM-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-106805
CC(C)c1ccc(C)c2-c(c(c(c2/C(=NCc2ccccn2)/N(C)C)C)C)c1C	EMOLS-id_337890686	387.56	IOMGMLINRUTUCG-BYCLXTJYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-106806
CCCCCC(c1nnc2n1CCCCCC2)(c1ccccc1)c1ccccc1	PC-id_10362789,SCHEMBL4565250	387.56	RTSMFXQOJHSCSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106807
N(C(=NCc1ncccc1)c1c2-c(c(c1C)C)c(c(C(C)C)ccc2C)C)(C)C	PC-id_183796	387.56	IOMGMLINRUTUCG-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-106808
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CC1CCN(CC1)C(C)C	EMOLS-id_44435525,ZINC22_82109180,PC-id_70738993,MCULE-1209564635	387.562	ZABJFWCLPDAMSP-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-106809
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CC(C)(C)CN1CCCC1	EMOLS-id_44450405,PC-id_70781883,MCULE-2849509983,ZINC22_82160471	387.562	MFLXORUTNLEXEU-UHFFFAOYSA-N	00001010100000000101000000000010000000000000000000000000	31-01-106810
CC(CCC=C(C)C)CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1	PC-id_45932954,MCULE-3103866270,EMOLS-id_232782159	387.562	FZEDGXWASLWUAP-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-106811
CC(=CCC[C@H](C)CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1)C	ZINC22_14992394	387.562	FZEDGXWASLWUAP-SFHVURJKSA-N	00001000100000000101000000000010000000000000000000000000	31-01-106812
CC(=CCC[C@@H](C)CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1)C	ZINC22_14992396	387.562	FZEDGXWASLWUAP-GOSISDBHSA-N	00001000100000000101000000000010000000000000000000000000	31-01-106813
C[N@H+](Cn1nc2n(c1=S)CCCCC2)C[C@@H]1CCCO[C@@H]1c1ccccc1	GD-id_ZINC50928127	387.562	QHGASOVSCLJGHZ-AZUAARDMSA-O	00000000100010110101100000000010000000000000000000000000	31-01-106814
C[N@@H+](Cn1nc2n(c1=S)CCCCC2)C[C@H]1CCCO[C@@H]1c1ccccc1	GD-id_ZINC50928129	387.562	QHGASOVSCLJGHZ-UYAOXDASSA-O	00000000100010110101100000000010000000000000000000000000	31-01-106815
N#Cc1c(NC(=O)[C@@H](N(Cc2sccc2C)C)C)sc2c1CCCCC2	CoCoCo_4230542,CoCoCo_4230543,PC-id_9450182	387.562	MGKBYKXGEIKNOD-AWEZNQCLSA-N	00000000100100000100000000000010000000000000000000000000	31-01-106816
N#Cc1c(NC(=O)[C@H](N(Cc2sccc2C)C)C)sc2c1CCCCC2	CoCoCo_4230544,CoCoCo_4230545,PC-id_9450184	387.562	MGKBYKXGEIKNOD-CQSZACIVSA-N	00000000100100000100000000000010000000000000000000000000	31-01-106817
N#Cc1c(NC(=O)C(N(Cc2sccc2C)C)C)sc2c1CCCCC2	PC-id_16336050,MCULE-2820428076,EMOLS-id_3627041	387.562	MGKBYKXGEIKNOD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-106818
O=C(NCc1nn2c(CN(CC(N3CCCCC3)(C)C)CCC2)c1)C1CCC1	PC-id_72935980	387.562	GVJOSXIQNVGFCH-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-106819
s1c2CCCCCc2cc1C(=O)NNC(=S)Nc1c(CC)cccc1C	PC-id_8359387	387.562	JSYRGCIJRNKOEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106820
s1c2CCCCCc2cc1C(=O)NNC(=S)Nc1ccc(C(C)C)cc1	PC-id_8658430	387.562	SOQSBQOMIFGMEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106821
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1sccc1)CC)C#N	PC-id_27079339	387.562	FNCIVRIPZMJWRI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-106822
s1c2CCCCCCc2cc1C(=O)NNC(=S)Nc1c(ccc(c1)C)C	PC-id_8683693	387.562	QNUKWBQHYCBMCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106823
S(=O)(=O)(NC1CCN(CC1)Cn1nc2n(CCCCC2)c1=S)CCC	PC-id_60526812	387.564	HIJNDYCVWVIIKI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106824
C=CCN1CCC(CC1)NC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_112079973	387.565	ZUUFXACCOGHLEM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106825
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(C1)N1CCCCC1	PC-id_119143221	387.565	SBEMYMATQXOSRE-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-106826
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(C1)C1CCCC1	PC-id_111919789	387.565	UAZXXYWKEATJMY-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-106827
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)N1CCCC1	PC-id_112079287	387.565	LILZCBLZXRDOBZ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-106828
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CC(N(C1)C1CC1)C	PC-id_112087133	387.565	UOMGZCZNWWEZQH-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-106829
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)C1CC1	PC-id_112075948	387.565	MKEUOJKNKFXJTK-UHFFFAOYSA-N	00100000100010000101100000000010000000000000000000000000	31-01-106830
CN=C(N1CCC(C1)CN1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_112082519	387.565	OTQFGIJRTVAMQA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-106831
CN=C(NC1CCN(C1)C1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111918891	387.565	ACRRHQZYDCZVPM-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-106832
CN=C(NC1CCN(CC1)CC(=C)C)NCCCc1nnc2n1CCCCC2	PC-id_112079993	387.565	JLHIFGXEDBEZFF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106833
CCCCN(C1=CC(=C)c2c(C=C1)c(C#Cc1ccc(cc1)C)cs2)CCC	PC-id_142407220	387.58	VENUQDWOZJPQCI-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-106834
CN(Cc1sccc1C)Cc1nn2c(c1)CN(CCC2)C[C@@H]1CCCNC1	PC-id_95713761	387.585	IWMFOTXJMOYXBH-GOSISDBHSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106835
s1c(CN(Cc2nn3c(CN(CC4CCCNC4)CCC3)c2)C)c(cc1)C	PC-id_56900620	387.585	IWMFOTXJMOYXBH-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-106836
CCCCCCCCc1n(C)c2c(c1CCC)CCCCCCCCCCC2	SCHEMBL18506684	387.685	QGEPFAXCLQCVAI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-106837
Fc1cc(Br)c(cc1C(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_105398269	387.694	JXONSZUNOUFUPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106838
O=C(c1ccc(c(c1F)Cl)Br)c1cc2c(s1)CCCCC2	PC-id_106764248	387.694	SFCNKBVGVYIVCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106839
BrC(c1sc2c(CCCCC2)c1)c1cc(c(F)cc1Cl)C	PC-id_81048329	387.737	YYJFSDJDKDWZHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106840
BrC(c1sc2c(CCCCC2)c1)Cc1c(Cl)cccc1F	PC-id_63518486	387.737	LQJYKUZOUDGWEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106841
Clc1cc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(O)cc1	PC-id_19527312	387.784	NLPOSLXTZLUVLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106842
Clc1ccc(cc1)CN1CCN(CC1=O)C(=O)c1noc2c1CCCCC2	EMOLS-id_100098018	387.86	MIEYVMHQMFJMED-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106843
Clc1ccc(c(c1)C(=O)N1CCCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100957044	387.86	FSLHRYNCAXSCQK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-106844
Clc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111824022	387.86	VCLPXASRRFLCSV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106845
Clc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111824569	387.86	JNAGVBMPTKHTKT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106846
ClCCCCn1ccc2c1C(=O)N(C)CCC2=NOC(=O)c1ccccc1	SCHEMBL9038534,PC-id_88403649	387.86	DKZANRNRPZPBSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106847
CN(C(=O)c1noc2c1CCCCC2)C1CCN(C1=O)c1ccccc1Cl	EMOLS-id_100993618	387.86	FBCKGDLEJKQVAO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106848
O=C(c1noc2c1CCCCC2)NC1CCCN(C1=O)c1ccccc1Cl	EMOLS-id_101012840	387.86	FKAFXUCTDLZXFV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106849
Clc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112814882	387.862	RLTDEBADBSYKBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106850
COc1c(cc(cc1)Cl)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625681	387.862	ZZMBDCQGMCNOSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106851
c1(CN2CCCn3nc(CCC(=O)O)cc3C2)c2c(cccc2n(C)n1)Cl	EMOLS-id_46622802,ZINC22_95370322,PC-id_72883725,MCULE-4466494948	387.863	GCXKADRUVXZVHL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106852
C[C@@]1(C(=O)NCc2nnc3n2CCCCC3)CC(=NO1)c1ccccc1Cl	CoCoCo_507135,PC-id_92613715,ZINC22_19661013	387.863	XHJDJHFZBCOVRL-IBGZPJMESA-N	00000011100000110101100000000010000000000000000000000000	31-01-106853
C[C@]1(C(=O)NCc2nnc3n2CCCCC3)CC(=NO1)c1ccccc1Cl	CoCoCo_507136,ZINC22_19661015,PC-id_92613716	387.863	XHJDJHFZBCOVRL-LJQANCHMSA-N	00000011100000110101100000000010000000000000000000000000	31-01-106854
Clc1ccccc1C1=NOC(C1)(C)C(=O)NCc1nnc2n1CCCCC2	SYN-22960259,PC-id_46977672	387.863	XHJDJHFZBCOVRL-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-106855
Clc1ccc(cc1)CN1CCN(CC1=O)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319028811	387.863	WYCFQCQQHIUHHU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106856
Clc1ccc(c(c1)C(=O)N1CCCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278113154	387.863	RIRSCFWNWOTVQS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-106857
Clc1cccc(c1)N1CCC(C1=O)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101723565	387.863	JAAOAGOZTAICRO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106858
Clc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCc1nnc2n1CCCCC2	CoCoCo_502674	387.863	FWBICFORFIOMHA-CYBMUJFWSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106859
Clc1ccc(cc1)N1C[C@H](CC1=O)C(=O)NCc1nnc2n1CCCCC2	CoCoCo_502675	387.863	FWBICFORFIOMHA-ZDUSSCGKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106860
Clc1cccc(n1)C(=O)N1CCCn2ncc(C(=O)NC3CCCC3)c2C1	EMOLS-id_313766336,ZINC22_2055750912	387.863	LKEUIIDOCXUFKS-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-106861
Clc1ccc(N2CC(CC2=O)C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_46974962	387.863	FWBICFORFIOMHA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106862
Clc1c(N2CC(CC2=O)C(=O)NCc2n3CCCCCc3nn2)cccc1	PC-id_51266318	387.863	QXUDKIBEDUINQT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106863
O=C(C1CCn2c(CC1)nnc2)NC1CCCN(C1=O)c1ccccc1Cl	MCULE-9292343874,EMOLS-id_320222334	387.863	JHRIPKKTGUYITN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106864
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(ccc1Cl)N1CCCC1=O	EMOLS-id_101943111	387.863	CTLLGCQWNBIUMS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106865
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(C1=O)c1ccccc1Cl	EMOLS-id_101722389	387.863	HKFDZARYADKTIP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106866
O=C(N(C1CCN(C1=O)c1ccccc1Cl)C)C1CCn2c(CC1)nnc2	EMOLS-id_319846210	387.863	NTVTXAZPAXSUSG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106867
O=C(NCc1nnc2n1CCCCC2)c1ccc(Cl)c(N2CCCC2=O)c1	EMOLS-id_30238401,ZINC22_40012929,PC-id_45859671,MCULE-7103372116	387.863	PRLBZHSMAZKJGV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106868
C1CN(CCc2c1nc(o2)C(=O)Nc1ccc(cc1)Cl)Cc1cscc1	PC-id_134807184	387.883	UGYKQVQGQRFHSE-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-106869
c1(NC(=O)CON=Cc2ccccc2Cl)sc2c(CCCCC2)c1C#N	MCULE-2264207443,PC-id_3792184	387.883	UNOGRAQTYLILIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106870
Clc1ccccc1/C=N/OCC(=O)Nc1sc2CCCCCc2c1C#N	CoCoCo_5991040,STOCK2S-36718,PC-id_9636206,ZINC22_4671783,EMOLS-id_26271971,TIMTEC482258	387.883	UNOGRAQTYLILIJ-SSDVNMTOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106871
N#Cc1c(NC(=O)CO/N=Cc2ccccc2Cl)sc2c1CCCCC2	CoCoCo_5991041	387.883	UNOGRAQTYLILIJ-JJFYIABZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106872
O=C(c1c(C)onc1c1ccccc1Cl)Nc1nc2c(s1)CCCCC2	PC-id_112807858	387.883	CERRLQLVKUYRRE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106873
Clc1ccc(NC(=O)c2nc3CCN(Cc4cn[nH]c4)CCc3s2)cc1	ZINC22_1203088991,EMOLS-id_313793084	387.886	PFZNAIGOLNIINQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106874
Clc1c(n2nc(nc2C)C(=O)Nc2sc3CCCCCc3n2)cccc1	PC-id_56196116	387.886	ONPUFUHNYFEGOK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106875
O=C(C1CCn2c(CC1)nnc2)Nc1ncc(s1)Cc1ccccc1Cl	EMOLS-id_319152963	387.886	FGBHFFJEXUVKRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106876
CC(CCOC(=O)C1CCCCn2c1ccc2C(=O)c1cccc(c1)Cl)C	SCHEMBL11200298,PC-id_20483835	387.9	MXCRKOLZZHFMDS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106877
ClC1=CCC=c2c(=C1)cc([nH]2)C(=O)NCC1CCCCN(C1)C(=O)C1CC1	PC-id_144935933	387.903	MVFHDJHRMBDHFC-UHFFFAOYSA-N	00100000100000000110000000000010000000000000000000000000	31-01-106878
C[C@@H](NC(=O)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1)c1nnc2n1CCCCC2	EMOLS-id_316962654,MCULE-7558175679,ZINC22_571772901	387.906	NHMOHYLDGZZNJP-XOKHGSTOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106879
Clc1ccc(c(c1)NCc1nnc2n1CCCCC2)C(=O)N1CCCCC1	EMOLS-id_318180769	387.906	CYWAQLRKYFLBPK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106880
Clc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)N1CCCCC1	EMOLS-id_101963283	387.906	IVUPFSCEWIKUBC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106881
Clc1cccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c1	ZINC22_23128964,CoCoCo_1124520,ChEMBL-DNDi_CHEMBL10897831,EMOLS-id_20394526,CoCoCo_1124519,PC-id_30852405,MCULE-9576992225	387.906	OOCRTXAQRBUETJ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-106882
Clc1ccc(CC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_51304055	387.906	JJCSAWYVEAOKQI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106883
Clc1c(CC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cccc1	PC-id_51308083	387.906	JRIOOYQJOAMGKT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-106884
O=C(N1CCCc2c(C1)cnn2C)NC1CCCN(C1)c1ccccc1Cl	EMOLS-id_101715770	387.906	KGDVPZWBJKDXKL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106885
Clc1ccc(cc1)N1CCN(CC1)C(=NCc1nnc2n1CCCCC2)N	PC-id_111031950	387.91	PIOSRGZYUXFJRU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106886
Clc1ccc(cc1)NS(=O)(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_56669098,CHEMBL1837001,SCHEMBL15878099	387.923	APOCJORKHBFCOB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-106887
Clc1ccc(CN(CC(=O)Nc2sc3CCCCCc3c2C#N)C)cc1	PC-id_2698842	387.926	IIVDILFSACHQTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106888
Clc1cc(CN(CC(=O)Nc2sc3CCCCCc3c2C#N)C)ccc1	PC-id_60468932	387.926	UKSNAADNDSHPAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106889
Clc1c(CN(CC(=O)Nc2sc3CCCCCc3c2C#N)C)cccc1	PC-id_27222751	387.926	TVERWSJFKMDLQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106890
Clc1c(C(NCC(=O)Nc2sc3CCCCCc3c2C#N)C)cccc1	PC-id_60469750	387.926	MYOHBDNAUOMOHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106891
CN1CCc2c(CC1)cc(s2)C(=O)NC(c1cc2c([nH]1)ccc(c2)Cl)C	PC-id_145508660	387.926	WRHRUHHLFUUNAD-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-106892
CS(=O)(=O)N(CC1=C(C=C(C=C1)Cl)F)CC2=NN=C3N2CCOCC3	MCULE-1352119882,PC-id_154772188,EMOLS-id_317360148	388.077	GTHQLVHCQCNVDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106893
CS(=O)(=O)N(CC1=C(C=CC(=C1)F)Cl)CC2=NN=C3N2CCOCC3	MCULE-8032528277,EMOLS-id_317360404,PC-id_154772189	388.077	URHHRQZLRFBANO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106894
CC1(COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_154682081	388.101	VPBSVXJNPCQAPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106895
C[C@@]1(COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_154682158	388.101	VPBSVXJNPCQAPY-HSYKDVHTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106896
CC(=C)C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682075	388.101	CWULIUYXKWVASU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106897
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@H](NS2(=O)=O)C=C	PC-id_154682046	388.101	BAMQBYXCOGLRQQ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106898
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@H](NS2(=O)=O)C=C	PC-id_154682271	388.101	BAMQBYXCOGLRQQ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106899
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CCC(NS2(=O)=O)C=C	PC-id_155061943	388.101	BAMQBYXCOGLRQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106900
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2=O)CC=C	PC-id_154682265	388.101	XTLPGBSKHWXJGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106901
CN1C(=O)N2CC[C@H](CCC2=N1)N(C)CC3=C(C=CC(=C3)C(F)(F)F)Cl	PC-id_164641430	388.128	OMIPJDKIRDOONT-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106902
CCC1=CC(C=CC1(CC2=C3C=CC=CC=C3C=C2)[SiH2]Cl)C4=CC=CC=C4	PC-id_153899133	388.141	DZTQAOMFOCMLDA-UHFFFAOYSA-N	00000010100011110110100000000010000000000000000000000000	31-01-106903
C1CS(=O)(=O)CC1C(=O)N2CCC3=NC(=NN3CC2)CCC4=CC=CC=C4	PC-id_164699518,MCULE-9129378816	388.157	OGQCDRFEABXDMJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-106904
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CN(N=C4CC3)CC5=CC=CC=C5	PC-id_154685812	388.172	NQEFZUDESMDEEF-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-106905
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CN=CC3	PC-id_155203683	388.211	GZNKAZZOADLQRS-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-106906
CC1C=Cc2n(C=C1)c(nc2Br)C(=O)c1ccc(c(c1)C(=O)O)N	PC-id_144309804	388.215	GPFALRSUMVSMRY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-106907
Brc1c([N+](=O)[O-])cc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_78650329	388.219	XIJDQEKNTKLYEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106908
Brc1c([N+](=O)[O-])cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_8275333	388.219	XIJDQEKNTKLYEP-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106909
O=C(NC(B(O)O)Cc1coc2c1C=CCC=C2)CCN1CCOCCC1=O	PC-id_145054023	388.223	BMQIIKSFIKVEGW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-106910
CC1(CC=C(C=C1)N1CCN(CC1)CCCc1n[nH]c2c1CCCCC2)Cl	PC-id_163672046	388.239	JDKBPPHUEYTCFO-UHFFFAOYSA-N	00000000100011000101100000000010000000000000000000000000	31-01-106911
CC(C)COC1=C(C=C(C=C1)CN(C)[C@H]2CCC3=NN(C(=O)N3CC2)C)OC	PC-id_164639574	388.247	JTZZOXGMXBLURI-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106912
Brc1ccc(cc1F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948538	388.255	MKCFNZMOGRDMMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106913
Brc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)F	EMOLS-id_101948412	388.255	PFXSWETVJFBPQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106915
Fc1ccc(cc1Br)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948622	388.255	AKSWCYFHJICDBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106916
Fc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)Br	EMOLS-id_101948685	388.255	NYQUFBIFWSLXAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106917
O=C1CC(C1)(c1cccc(c1)Br)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99612398	388.255	CFIJHKKBGJDLDP-UHFFFAOYSA-N	00001000100000110100100000000010000000000000000000000000	31-01-106918
Brc1ncn2CC(CN(Cc12)C(=O)OC(C)(C)C)C(=O)OCC	PC-id_71305337	388.257	XXQDDGYSUZFUIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106919
CCOC(=O)c1nn2CCCN(Cc2c1Br)C(=O)OC(C)(C)C	EMOLS-id_317749482	388.257	NKTNGJWIGUEBHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106920
n12c(Br)nc(C(=O)OCC)c1CN(C(=O)OC(C)(C)C)CCC2	SCHEMBL12866909,PC-id_57635292,MCULE-2971874969	388.257	RULRYYGYTSFUGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106921
Brc1cc2cc(oc2c(c1)C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101674748	388.258	DSXVTMPYPPVJEL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106922
Brc1ccc2c(c1)c(C)c(o2)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101667380	388.258	URRNIRRARGYLDQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106923
Cc1cc2cc(oc2c(c1)Br)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101676464	388.258	MZFORLCBWZTSQE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106924
Brc1ccc2n(c1)c(c(n2)C)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101678192	388.262	LHJYUBIUQUDXBT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106925
Brc1n2c(CNCCC2)c(n1)C(=O)N[C@H](OCNC)C(C)(C)C	SCHEMBL13811821,PC-id_70998597	388.303	OKRKGKVCZDEEID-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106926
Brc1n2c(CNCCC2)c(n1)C(=O)NC(OCNC)C(C)(C)C	PC-id_77966857	388.303	OKRKGKVCZDEEID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106927
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C#N	PC-id_3625320	388.304	QHJSIQQWYBHPCR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-106928
Clc1c(OCC(O)CSc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_60221345	388.312	RBECYNKOPYJSTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106929
c1(NC(=O)C(CC)Br)sc2c(CCCCC2)c1C(=O)OCC	MCULE-3029855408,PC-id_71299996,EMOLS-id_37178470	388.32	LLRMFLUVFFWNPV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-106930
CCOC(=O)c1c(NC(=O)[C@H](CC)Br)sc2c1CCCCC2	PC-id_95970142	388.32	LLRMFLUVFFWNPV-NSHDSACASA-N	00000000100000000100000000000010000000000000000000000000	31-01-106931
CCOC(=O)c1c(NC(=O)[C@@H](CC)Br)sc2c1CCCCC2	PC-id_95970143	388.32	LLRMFLUVFFWNPV-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-106932
O=C1Nc2cn[nH]c2OCC1NC(=O)c1ccn(n1)Cc1ccc(c(c1)F)F	SCHEMBL19658716	388.328	WINGYXLNEXOPSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106933
O=C1Nc2cn[nH]c2OC[C@@H]1NC(=O)c1ccn(n1)Cc1ccc(c(c1)F)F	SCHEMBL18372240	388.328	WINGYXLNEXOPSD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106934
O=C1Nc2cn[nH]c2OC[C@@H]1NC(=O)c1ncn(c1)Cc1ccc(c(c1)F)F	SCHEMBL18372577	388.328	MTUOOFRMUAJZFX-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106935
O=C(c1c(sc2c1CCCCC2)NC(=O)C(F)(F)F)NCC(F)(F)F	PC-id_11617992,SCHEMBL4138686	388.329	SEAOCYCDVKKTCG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-106936
FC(F)(F)C(C1CCC(c2n(C1)ccn2)CC(=O)O)c1c(F)c(F)ccc1	PC-id_77607535	388.332	SEZFBMKRXUYPRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106937
FC(F)(F)C([C@@H]1CC[C@H](c2n(C1)ccn2)CC(=O)O)c1c(F)c(F)ccc1	SCHEMBL4698702,PC-id_69151179	388.332	SEZFBMKRXUYPRF-FEBOZLGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106938
Cn1ncc2c1CCCN(C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)C2	ZINC22_557117325	388.335	XQXDIXAJPPKZAP-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106939
Cn1ncc2c1CCCN(C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)C2	ZINC22_557117334	388.335	XQXDIXAJPPKZAP-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106940
FC(F)(F)C(OC1OC(C(O)C(O)C1O)CO)c1c2-c(cc1)ccccc2	PC-id_85417625	388.335	CZMWGGHJTCCJPY-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-106941
FC(F)(F)C(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)c1c2-c(cc1)ccccc2	PC-id_11153442	388.335	CZMWGGHJTCCJPY-UUVLZXSASA-N	00000010100010000110000000000010000000000000000000000000	31-01-106942
OC[C@H]1O[C@@H](OC(C(F)(F)F)c2ccc3-c2ccccc3)[C@@H]([C@H]([C@H]1O)O)O	PC-id_101151975	388.335	CZMWGGHJTCCJPY-LZDIORBQSA-N	00000010100010000110000000000010000000000000000000000000	31-01-106943
O=C(N1CCCc2c(C1)cnn2C)NC(C(F)(F)F)c1cccc(c1F)F	MCULE-1977391760,EMOLS-id_316210220	388.335	XQXDIXAJPPKZAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106944
[Se](CC(c1c2-c(cc1)ccccc2)c1ccccc1)c1ncccc1	PC-id_72830338	388.364	UXPUMNGJOVCVJZ-UHFFFAOYSA-N	00000010100000111110000000000010000000000000000000000000	31-01-106945
[Se](CC(c1cc2-c(c1)ccccc2)c1ccccc1)c1ncccc1	PC-id_85996162	388.364	ACRBXMGUSXJDDC-UHFFFAOYSA-N	00000010100000111110000000000010000000000000000000000000	31-01-106946
[Se](C[C@H](c1c2-c(cc1)ccccc2)c1ccccc1)c1ncccc1	PC-id_11395107	388.364	UXPUMNGJOVCVJZ-QFIPXVFZSA-N	00000010100000111110000000000010000000000000000000000000	31-01-106947
Brc1scc(c1)C[N@H+](Cn1nc2n(c1=S)CCCCC2)C	GD-id_ZINC50898064	388.369	JIJZHLDSHUYHSH-UHFFFAOYSA-O	00000000100100000101000000000010000000000000000000000000	31-01-106948
Brc1sc(C[NH+](Cn2nc3n(CCCCC3)c2=S)C)cc1	PC-id_9172192	388.369	LEGPXBGHWSOJHQ-UHFFFAOYSA-O	00000000100100000101000000000010000000000000000000000000	31-01-106949
CN1c2ccnn2CC[C@H](NC(=O)c2ncn3ccc(cc23)C(C)(F)F)C1=O	BindingDB-id_1028210	388.371	FHKIIBYOKLPAMR-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-106950
C1CSCc2ccc(s2)C(SCCS1)I	PC-id_91106275	388.375	QSHOBSWSTWODRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-106951
FC(F)(F)c1c(C2C(C2)C(=O)C(c2n3CCCCCc3nn2)C#N)cccc1	PC-id_56800226,EMOLS-id_37014109,MCULE-6202668692	388.386	YKCXERGUPYYVBO-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-106952
N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCCC2	PC-id_95592011,ZINC22_71843992	388.386	YKCXERGUPYYVBO-SOUVJXGZSA-N	00100000100000110101100000000010000000000000000000000000	31-01-106953
N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCCC2	ZINC22_64102052,PC-id_95048441	388.386	YKCXERGUPYYVBO-QLFBSQMISA-N	00100000100000110101100000000010000000000000000000000000	31-01-106954
N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCCC2	ZINC22_71843993,PC-id_95592012	388.386	YKCXERGUPYYVBO-RRFJBIMHSA-N	00100000100000110101100000000010000000000000000000000000	31-01-106955
N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCCC2	ZINC22_71843994,PC-id_95592013	388.386	YKCXERGUPYYVBO-RBSFLKMASA-N	00100000100000110101100000000010000000000000000000000000	31-01-106956
O=C(C(=O)Nc1cc(cc(c1C)F)C(=O)N)NCc1nnc2n1CCCCC2	GD-id_ZINC48995424	388.396	TYYMZKJZZOGGGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106957
F/C=C/C1=C(/C(=CC)/F)C(CCO1)OC1=CC(=CCc2c1nc(n2C)C)C=O	PC-id_143369254	388.408	JZVOLPUEAQNQDI-XGFGJNLOSA-N	00000000100011000111000000000010000000000000000000000000	31-01-106958
S(c1n2CCCCCc2nn1)CC(=O)N(Cc1occc1)CC(F)(F)F	PC-id_60516993	388.408	LOZYLFBRJKTQCU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-106959
CC1COc2c(S(=O)(=O)N1)sc(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353496	388.409	CWOSCHVCISLYPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106960
CC(C)NC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc(F)c(F)c1	SCHEMBL17777917,PC-id_121358848,BindingDB-id_731726	388.411	ZCPBJHAKFBKCKE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-106961
CCNC(=O)C1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(c(c1)F)F	PC-id_121358819,SCHEMBL17777887	388.411	KTUKBAATVLSEIK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-106962
CC(NC(=O)C1=CN(CC(c2c1cn[nH]2)(C)C)C(=O)c1ccc(c(c1)F)F)C	PC-id_121358804,SCHEMBL17777872	388.411	BWJHNPHUYJYJAF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-106963
CCNC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)F)F	PC-id_121358845,SCHEMBL17777914	388.411	LMQLXRZAKUPQNZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-106964
CN(C(=O)C1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL17777891,PC-id_121358823	388.411	LVINNFOCJNWPNW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-106965
CN(C(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL17777946,PC-id_121358874	388.411	NDYMSZSUKLPZRQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-106966
CCCc1c(c(c2-c1c(cc(cc2)C(=O)NO)C)OC(=O)OCC)NC(=O)C	PC-id_88317287,SCHEMBL8526704	388.414	LVYICBBTDWQIRN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-106967
COc1ccc(c(c1)OC)C(NC(=O)c1noc2c1CCCCC2)CC(=O)O	EMOLS-id_57633787,MCULE-8273585166,PC-id_120532020	388.414	SLSUXXYDJDATPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106968
COc1ccc(cc1OC)C(NC(=O)c1noc2c1CCCCC2)CC(=O)O	PC-id_120512480,EMOLS-id_57583095,MCULE-4913460447	388.414	MYGRMXXWRPIXGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106969
COc1cc(cc(c1)OC)CN(C(=O)c1noc2c1CCCCC2)CC(=O)O	PC-id_120518108,EMOLS-id_72328018,MCULE-5023533434	388.414	AWOMFLWDOBCHAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106970
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)C1CC(=O)N(C1)c1ccc(cc1)F	PC-id_90625423	388.416	DNZSUYMZTCSVMM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-106971
c1(C(=O)N)cn2c(CCN(Cc3ccc(c(OC)c3)OC(C)C(=O)O)CC2)n1	MCULE-6581914582,EMOLS-id_336518333	388.418	BKMXBYOPPOUCJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106972
COc1cc(CN2CCc3nc(C(=O)N)cn3CC2)ccc1O[C@H](C)C(=O)O	ZINC22_1940197234	388.418	BKMXBYOPPOUCJL-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106973
COc1cc(CN2CCc3nc(C(=O)N)cn3CC2)ccc1O[C@@H](C)C(=O)O	ZINC22_1940197235	388.418	BKMXBYOPPOUCJL-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106974
O1CCN(CCn2c1nc([N+](=O)[O-])c2)Cc1ccc(cc1)C(=O)OC(C)(C)C	SCHEMBL14966216,PC-id_71569663	388.418	GANYJDKHXKBCIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106975
O=C(N1CCN(CC1)C(=O)c1noc2c1CCCCC2)CN1C(=O)CCC1=O	EMOLS-id_100097661	388.418	BHGBABFFKFTWSS-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-106976
s1c2CCCCCc2cc1C(=O)NN=Cc1cc([N+](=O)[O-])c([O-])c(OC)c1	PC-id_78620785	388.418	VZIFDBWEOKXVPD-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-106977
o1c(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1c1c(cccc1)C(=O)OC	PC-id_27115449	388.419	WUHBEPVBSVUJJN-FYWRMAATSA-N	00000000101000110101100000000010000000000000000000000000	31-01-106978
o1c(C=C(c2n3CCCCCc3nn2)C#N)ccc1c1c(cccc1)C(=O)OC	PC-id_74519848	388.419	WUHBEPVBSVUJJN-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-106979
O=c1n2CCCCCc2nn1CC(=O)Oc1ccc(c2ccc(cc2)C#N)cc1	PC-id_36423154	388.419	CDBMBULQOBCCTD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-106980
O=c1n2CCCCCc2nn1CC(=O)N1CCN(CC1)C(=O)c1onc(c1)C	PC-id_55867358	388.421	WCSAIFPFFAOFAY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106981
O=c1[nH]c(NC(c2ccccc2)C)nc(=O)c2ncn(c12)Cc1ncccc1C	PC-id_45232741	388.422	HKPTXTKMBGEWDT-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-106982
Cc1cc(/C=C/C=C/C(=CC(=O)O)/C(F)(F)F)c2-c1cc(ccc2C)C(C)C	CHEMBL104419,PC-id_23257840	388.423	WJWRWCUFIAKCPM-KOGOZYKCSA-N	00000010100000000110000000000010000000000000000000000000	31-01-106983
C[C@H](c1ccccc1)Nc1[nH]c(=O)c2c(c(=O)n1)n(cn2)Cc1ncccc1C	CoCoCo_1521043	388.423	HKPTXTKMBGEWDT-CQSZACIVSA-N	00000000100000111111000000000010000000000000000000000000	31-01-106984
C[C@@H](c1ccccc1)Nc1[nH]c(=O)c2c(c(=O)n1)n(cn2)Cc1ncccc1C	CoCoCo_1521044	388.423	HKPTXTKMBGEWDT-AWEZNQCLSA-N	00000000100000111111000000000010000000000000000000000000	31-01-106985
FC(F)(F)C(=CC(=O)O)C=CC=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_74036490	388.423	WJWRWCUFIAKCPM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-106986
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)c1c2ccccc2[nH]n1	MCULE-1854672958,PC-id_91922495,EMOLS-id_50585965	388.423	SWZLRRGZLFOAFT-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-106987
O=C(c1nc2n(n1)CCN(CC2)C(=O)OC(C)(C)C)N1CCc2c(C1)n[nH]n2	SCHEMBL17113008,PC-id_118394568	388.424	WRWVTTMASQEPNE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-106988
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCCN1CCOCC1	PC-id_19523645	388.428	OPIFMTFKKXXEKT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-106989
COc1cccc(c1F)C1(CCOCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100533834	388.433	HQMGSPRTMONSET-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-106990
CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCc3occc3C2)cc1F	EMOLS-id_316190725,ZINC22_377380154,MCULE-9394040301	388.434	RUXNHGSCJDSHDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106991
Fc1cc(ccc1S(=O)(=O)N1CCCc2c(C1)cco2)NS(=O)(=O)C	EMOLS-id_99309017	388.434	SSJKZZPMWYHWDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106992
c12CN(CCCn1nc(CCC(=O)O)c2)CC(=O)NCCc1ccc(cc1)F	MCULE-8202565753,PC-id_56897987,ZINC22_72429293,EMOLS-id_43122403	388.436	XPRMKXVSOQQVQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106993
c12C(=O)N(CCCn1nc(C(=O)NCCCOCC)c2)Cc1cccc(F)c1	PC-id_53029180,EMOLS-id_32632988,MCULE-9343680174	388.436	VKKLVSMHFMMORR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106994
CN(C1CCc2nn(c(=O)n2CC1)CC1CC1)C(=O)COc1ccc(cc1)F	MCULE-3905137292,EMOLS-id_50586221,PC-id_91922723	388.436	WCCDEHOKYQYKQU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-106995
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCCOCC)cc1	PC-id_50744421	388.436	CEFMFWAYKMEITF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-106996
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	CK1779276,MCULE-1507632046,ZINC22_861829,Chemmine_26588,PC-id_1123738,TIMTEC607760,STOCK1S-35402,EMOLS-id_1246762,ChEMBL-DNDi_CHEMBL5577906,BAS-00600314,CoCoCo_100164	388.437	ZXWCYIOENOXSIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106997
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_908224,ChEMBL-DNDi_CHEMBL3772-2115,EMOLS-id_2446800,ZINC22_1102612,MCULE-7615446838,PC-id_1283019	388.437	UFSJCGVYRVNZLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106998
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC522957,PC-id_1358666,EMOLS-id_2095687,MCULE-2471816402,CoCoCo_5015573,ZINC22_1200352	388.437	WGYXOUSGGAWPJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-106999
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCCCCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL5693736,CoCoCo_683143,MCULE-7230162701,TIMTEC263003,ZINC22_2736928,EMOLS-id_2095157,PC-id_2163418	388.437	KJACKDVNYFILQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107000
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OC	PC-id_997656,MCULE-1011700494,TIMTEC215541,SPECS-id_AK-968/41445621,EMOLS-id_2197918,ChEMBL-DNDi_CHEMBL7249062,CoCoCo_900009,ZINC22_651616	388.437	IIIGQDCNTJSOQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107001
c1(NC(=O)c2ccncc2C(=O)O)sc2c(CCCCC2)c1C(=O)OCC	PC-id_53271048,MCULE-6826548469	388.437	ZATTVEIARFUSCK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-107002
c1(NC(=O)c2ccncc2C(=O)O)sc2c(CCCCCC2)c1C(=O)OC	MCULE-1107454262,PC-id_53271049	388.437	ZEXDVBUTZMXFRG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-107003
c1(NC(=O)c2ncccc2C(=O)O)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4623675585,PC-id_53270904	388.437	FTPHRYXUTVXMAC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-107004
c1(NC(=O)c2ncccc2C(=O)O)sc2c(CCCCCC2)c1C(=O)OC	MCULE-8056749175,PC-id_53270905	388.437	SJRAVBURAJDIRO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-107005
c1(NC(=O)Cc2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OC	MCULE-7284670104,PC-id_1008703,CoCoCo_903586,EMOLS-id_2199990,TIMTEC294063,SPECS-id_AK-968/12385415,ChEMBL-DNDi_CHEMBL7267576,ZINC22_668431	388.437	LRRVVIKCKMWBHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107006
Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2	CoCoCo_2861298,EMOLS-id_43703891,MCULE-8356314429,PC-id_7351938,ZINC22_4767649	388.437	ZKOAQINALXEVCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107007
COC(=O)c1c(NC(=O)COC(=O)c2ccncc2)sc2c1CCCCC2	CoCoCo_3032501,PC-id_2625982,MCULE-1306190193,ZINC22_3508976,EMOLS-id_27349889	388.437	FXROXRKJTZIBBS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-107008
COC(=O)C[C@H]1C(=O)Nc2c(CN1C(=O)OCc1ccccc1)cc(s2)C	SCHEMBL19273935	388.437	PLNIVHWENKMYAZ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107009
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(cccc1[N+](=O)[O-])C	PC-id_7351940	388.437	JIPKRGOXAJTLCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107010
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(cc([N+](=O)[O-])cc1)C	PC-id_7649825	388.437	BCRDDTRDZSQDPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107011
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1cc([N+](=O)[O-])ccc1)C	PC-id_16796537	388.437	ZQASTFYPUOPCLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107012
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(c([N+](=O)[O-])ccc1)C	PC-id_16796539	388.437	BZXUCJYEWFSFHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107013
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])c(cc1)C	PC-id_16796542	388.437	OMUJBDBXKBLVQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107014
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c([N+](=O)[O-])cccc1)C	PC-id_16796541	388.437	DHKCLLXUIXFNIU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107015
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c([N+](=O)[O-])cc(cc1)C	PC-id_30399356	388.437	JEYPQBPKUXGOHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107016
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c([N+](=O)[O-])cccc1)C	PC-id_7352058	388.437	DHKCLLXUIXFNIU-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107017
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c([N+](=O)[O-])cccc1)C	PC-id_7352059	388.437	DHKCLLXUIXFNIU-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107018
s1c2c(CCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])c(cc1)C)C(=O)OC	PC-id_4462807	388.437	HEKRLAZKBKQPQU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107019
s1c2c(CCCCC2)c(c1NC(=O)c1c(c([N+](=O)[O-])ccc1)C)C(=O)OC	PC-id_5072420	388.437	YZOARIKBBKUHEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107020
s1c2c(CCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])c(ccc1)C)C(=O)OC	PC-id_55488684	388.437	XWMOOMQGGWEMFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107021
s1c2c(CCCCC2)c(c1NC(=O)Cc1c([N+](=O)[O-])cccc1)C(=O)OC	PC-id_52598428	388.437	YDKNFZKMNDXCIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107022
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cccnc1)C(=O)OC	PC-id_9413472	388.437	WTOLXQDTDYSCAQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-107023
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ncccc1)C(=O)OC	PC-id_2680601	388.437	FPHRNBHACHBEDG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-107024
s1c2c(CCCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_4595033	388.437	XGFKXLCSQPCCOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107025
s1c2c(CCCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])cccc1)C(=O)OC	PC-id_3465430	388.437	HVXLKEDEZUWATR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107026
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1c([N+](=O)[O-])cccc1	PC-id_7618802	388.438	CFVZMBHVUVEEDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107027
c12CN(CCCn1nc(CNC(=O)NCc1ccc(cc1)F)c2)C(=O)N(C)C	ZINC22_95358994,EMOLS-id_46608460,PC-id_72855736,MCULE-3081941537	388.439	DONRWVVUKJKCHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107028
Fc1ccc(cc1)C1OCCC(C1)N(C(=O)NC1CCn2c(CC1)nnn2)C	EMOLS-id_102167110	388.439	KDBUXPVUDCJUBI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107029
Fc1ccc(cc1)CC1(O)CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102167191	388.439	DHQOXDFTQXANAZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107030
Fc1ccc(cc1)CN(C(=O)NC1CCn2c(CC1)nnn2)C1CCOCC1	EMOLS-id_318322101	388.439	SLWHYWBCNRMPQQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107031
O=[N+]([O-])c1ccc(F)cc1CN1CCN(Cc2nnc3n2CCCCC3)CC1	MCULE-4179488192,PC-id_45914045,ZINC22_40153507,EMOLS-id_30260733	388.439	RKJCBGHKYWVMPX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107032
c1(NC(=O)CCC(=O)Nc2ccc(cc2)N(=O)=O)sc2c(CCCCC2)n1	MCULE-4595605092,EMOLS-id_334977693	388.441	HMPXDCIJBKRPPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107033
[O-]C(=O)Cc1cc(c2-c1ccc(cc2)C(C)C)CCCCNS(=O)(=O)c1ccccc1	GD-id_ZINC13826300	438.559	LFNLACXWMKGBFZ-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-133082
c1(NC(=O)CCC(=O)Nc2cccc(c2)N(=O)=O)sc2c(CCCCC2)n1	MCULE-5160638392,EMOLS-id_334984860	388.441	CIUMMJNBUSSFDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107034
Cc1ccc(C(=O)NCC(=O)Nc2nc3c(s2)CCCCC3)cc1[N+](=O)[O-]	ZINC22_12829973,MCULE-3671857682,EMOLS-id_44040779,CoCoCo_4564245,PC-id_24611854	388.441	ZLKAQYGJXWSJEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107035
CC(=O)c1cc2c(cc1NC(=O)CSc1nnc3n1CCCCC3)OCO2	PC-id_7877642,ZINC22_6098471,CoCoCo_3082295,MCULE-5735334056,EMOLS-id_3514160	388.441	VXAZROJGUTZLIR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-107036
COC(c1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)NC)C(=O)N	PC-id_144077525	388.441	FKPVPMIIPPYDBG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-107037
COCCC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)N	SCHEMBL1770493,PC-id_58256683	388.441	GZNUHDIMBIWKJV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-107038
COCC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)NC	SCHEMBL1770620,PC-id_58256727	388.441	MOKDZULNWUAPKK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-107039
COC(=O)CCC(=O)N1CCc2nc(C(=O)Nc3ccncc3)sc2CC1	PC-id_97442436,ZINC22_96146912	388.441	WGGUVBUKTVKKOD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-107040
COC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)N(C)C	PC-id_58256608,SCHEMBL12598914	388.441	SOWHIKKWXVGSFN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-107041
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccc4occc4c3)cc2C1	ZINC22_91808717,PC-id_72909678,MCULE-7224734272,EMOLS-id_46077201	388.441	HCPAEWQHRWHZJN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107042
O=C(Nc1cc2OCOc2cc1C(=C)O)CSc1nnc2n1CCCCC2	CoCoCo_3082296	388.441	GCQUJNZSEWMUSP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-107043
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(NC)cc1	PC-id_9153971	388.441	CDXVTEFRBXDWTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107044
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1c(noc1N)C)C)C#N	PC-id_52210660	388.441	HQMMYHKWHDDLQA-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-107045
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1c(noc1N)C)C)C#N	PC-id_52210661	388.441	HQMMYHKWHDDLQA-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107046
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)C1=NNC(=O)CC1)C)C#N	PC-id_8325606	388.441	QSBCVHAPJUFGKC-JTQLQIEISA-N	00000000100011000101000000000010000000000000000000000000	31-01-107047
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)C1=NNC(=O)CC1)C)C#N	PC-id_8325611	388.441	QSBCVHAPJUFGKC-SNVBAGLBSA-N	00000000100011000101000000000010000000000000000000000000	31-01-107048
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)N(C(C)C)C(=O)C1=O)C#N	PC-id_38897011	388.441	WIBYPHHMTNMOKZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-107049
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(noc1N)C)C)C#N	PC-id_75806502	388.441	HQMMYHKWHDDLQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107050
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1=NN(C(=O)CC1)C)C#N	PC-id_27727895	388.441	NNMKCFGYBOTLQW-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-107051
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C1=NNC(=O)CC1)C)C#N	PC-id_78666198	388.441	QSBCVHAPJUFGKC-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-107052
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(CCCC)c1)ccccc2	PC-id_10479166	455.566	AXWJHDDSBAXDJV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139846
s1c2CCCCCCc2nc1NC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1	PC-id_60571862	388.441	YFSOIVQPIPDJJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107053
Cc1n[nH]c(=O)c2c(NC(=O)CSc3nnc4n3CCCCC4)oc(C)c12	ZINC22_8216705,PC-id_16338325,EMOLS-id_11779498,MCULE-2901192817,CoCoCo_4054307	388.444	KTSZQCHLIVLXPA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107054
CN(Cc1nc2c(c(=O)[nH]1)scc2)C(=O)Cn1c(=O)n2CCCCCc2n1	PC-id_136211943	388.444	YVERVLCOPIYYLN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107055
O=C(Cn1c(=O)n(C)c2c(c1=O)n(C)cn2)Nc1nc2c(s1)CCCCC2	EMOLS-id_98316633	388.444	BXHYMUJTNYIECD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107056
O=C(CNC1=NS(=O)(=O)c2ccccc12)NCc1nnc2CCCCCn12	CoCoCo_508029,PC-id_135993407,EMOLS-id_30451445,SYN-22973307,ZINC22_19659442,MCULE-7267434686	388.444	JIYSFIUQRRAGOD-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-107057
S1C2C(=NC(=NC2=O)CN(C(=O)Cn2nc3n(CCCCC3)c2=O)C)C=C1	PC-id_74618612	388.444	BPAJREJXSXVLRD-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-107058
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc(cc(c1)C(=O)N)C(=O)N	PC-id_18286378	388.444	VTYIDUCOXWORHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107059
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CC(CCC1)C(F)(F)F	PC-id_55792156	388.448	JBNYAYPTONPJMY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-107060
s1c2c(CCCCC2)c(c1NC(=O)C1CC(CCC1)C(F)(F)F)C(=O)N	PC-id_55771725	388.448	QCPBKRRVRTXVLG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-107061
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(c(F)c1F)C	ZINC22_91943635,EMOLS-id_46087233,MCULE-2496902663,PC-id_72923397	388.454	ASPOGEUAHWFGAT-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-107062
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1c(F)ccc(C)c1F	EMOLS-id_46060995,PC-id_72887346,MCULE-6591077906,ZINC22_91645518	388.454	WJNUVSCTAOWSAB-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-107063
Fc1ccc(c(c1)F)C1(CCCC1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101709953	388.454	MEEIAOLNGXXYEG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-107064
O=C(N1CCCc2c(C1)cnn2C)NCC1(CCCC1)c1cccc(c1F)F	EMOLS-id_101711921	388.454	SHDSHUOGKUSBPQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-107065
O(c1c(Cc2c3-c(c(c2OC)CO)ccccc3)c2-c(c1CO)ccccc2)C	PC-id_14116444	388.456	QEXHWGZHKGJTJH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-107066
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1cc(F)c(OC)cc1	PC-id_84942063	388.456	TVUZIXNJPCZOQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107067
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1cc(F)c(OC)cc1	PC-id_9163640	388.456	TVUZIXNJPCZOQN-CSKARUKUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107068
s1c2CCCCCc2cc1C(=O)NNC(=O)CCC(=O)c1ccc(F)cc1	PC-id_9301215	388.456	ZMEHHOWENSTIRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107069
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1cc(F)c(OC)cc1)C(=O)N	PC-id_55395711	388.456	DPHRGODTMGRHLB-CSKARUKUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107070
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1cc(F)c(OC)cc1)C(=O)N	PC-id_76234300	388.456	DPHRGODTMGRHLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107071
O=C1N(CCCn2nc(cc12)C(=O)NCc1ccc(cc1)C)Cc1ccccc1	PC-id_50798048	388.462	NAYFBEGTDKBGHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107110
s1c(NC(=O)C2C3CC(C2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC	PC-id_73132622	388.457	QNCPGOIWERLDBR-UHFFFAOYSA-M	00000011100000000100000000000110000000000000000000000000	31-01-107072
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC	PC-id_11881169	388.457	QNCPGOIWERLDBR-BVIHXZOGSA-M	00000011100000000100000000000110000000000000000000000000	31-01-107073
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC	PC-id_11881171	388.457	QNCPGOIWERLDBR-PKIAMQTDSA-M	00000011100000000100000000000110000000000000000000000000	31-01-107074
s1c(NC(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC	PC-id_20022628	388.457	QNCPGOIWERLDBR-AZHAFVHUSA-M	00000011100000000100000000000110000000000000000000000000	31-01-107075
s1c(NC(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC	PC-id_20022630	388.457	QNCPGOIWERLDBR-GVARAGBVSA-M	00000011100000000100000000000110000000000000000000000000	31-01-107076
s1c(NC(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC	PC-id_27273499	388.457	QNCPGOIWERLDBR-DRABBMOASA-M	00000011100000000100000000000110000000000000000000000000	31-01-107077
s1c(NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC	PC-id_27273501	388.457	QNCPGOIWERLDBR-JLUCKKNBSA-M	00000011100000000100000000000110000000000000000000000000	31-01-107078
CCCOc1ccc(c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1	PC-id_46946214,CHEMBL1796988	388.459	HHWLMOWEOCFERZ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-107079
Fc1cc(OCC(=O)N2CC[NH+](CC2)Cc2n3CCCCCc3nn2)ccc1	PC-id_40803828	388.459	DOGOBEWZOMOFBG-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-107080
Fc1c(N2CC[NH+](CC2)Cn2nc3n(c2=O)CCCCC3)ccc(c1)C(=O)C	PC-id_41725648	388.459	ACHCRKGIGYLDHD-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-107081
O=C1c2c(n(Cc3ccc(cc3)c3ccc(OC(C)C)cc3)cc2)C(=O)NCC1	PC-id_46946215	388.459	BGYDYTVMMGXHFM-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-107082
O=C1c2c([nH]c(Cc3ccc(cc3)c3ccc(OCCC)cc3)c2)C(=O)NCC1	PC-id_56970661	388.459	GANWMBYMZCQNLP-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-107083
O=C1c2c([nH]c(Cc3ccc(cc3)c3ccc(OC(C)C)cc3)c2)C(=O)NCC1	PC-id_56970662	388.459	IFBAQUNRRABKRF-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-107084
s1c(c(c2c1cccc2F)COC)C(=O)NCc1n2CCCCCc2nn1	PC-id_51266357	388.459	NBNGLDZCXAQEAP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107085
Cc1c(ccc(c1)C(=O)Nc1c(c2c(s1)CCCCC2)C(=O)N)[N+](=O)OC	SCHEMBL8290723,PC-id_88275461	388.461	UERBZEHNQMNWJX-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-107086
COCCn1nc2CCC(CC(=O)NCc3ccc(OC)cc3)CCn2c1=O	MCULE-7632587426,EMOLS-id_207877355	388.461	UADLTSZBZACDOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107087
COC(=O)c1c(NC(=O)C[n+]2cccc(C(=O)N)c2)sc2c1CCCCC2	MCULE-2351847272,CoCoCo_3621366,ZINC22_13135255,PC-id_17545675	388.461	KDANNIYASFQLIJ-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-107088
O=C(NCc1n2CCCCCc2nn1)CCc1cc(OC)c(OC)c(OC)c1	PC-id_51266236	388.461	NFOXPRBBLDWKTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107089
O=C(NCCc1n2CCCCCc2nn1)Cc1cc(OC)c(OC)c(OC)c1	PC-id_51307444	388.461	HPIKUNHIFKCLPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107090
O(CCCCCCCCCC)c1ccc(CCc2ccc3-c(cc2)ccc3)cc1	PC-id_85723082	388.585	JNXPHOXHJBFHOE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-107529
c12C(=O)N(CCCn1nc(C(=O)Nc1ccccc1C)c2)Cc1cccc(C)c1	EMOLS-id_32633120,PC-id_53029188,MCULE-1283840285	388.462	BEEXFIHMRSFFES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107091
c12C(=O)N(CCCn1nc(C(=O)Nc1cc(C)ccc1C)c2)Cc1ccccc1	MCULE-5359284994,PC-id_53029172,EMOLS-id_32632772	388.462	VBIVYWSPHHFQGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107092
c12C(=O)N(CCCn1nc(C(=O)Nc1cc(C)cc(C)c1)c2)Cc1ccccc1	EMOLS-id_32632780,PC-id_53034489,MCULE-7397565751	388.462	BWPFHMMRMUTQDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107093
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1)c2)Cc1ccc(cc1)C	EMOLS-id_32846098,PC-id_50798099,MCULE-8382827951	388.462	IPGVWKILWYYIPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107094
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1)c2)Cc1cccc(C)c1	MCULE-5725966904,EMOLS-id_32633084,PC-id_53034553	388.462	WOEHGQHBQWCSMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107095
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(C)c1)c2)Cc1ccccc1	PC-id_20964701,EMOLS-id_16324600,MCULE-2263196346,CoCoCo_2544495	388.462	QRSLBJAMKXRCLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107096
c12C(=O)N(CCCn1nc(C(=O)NC(C)c1ccccc1)c2)Cc1ccccc1	PC-id_50798060,EMOLS-id_32846006,MCULE-9913568121	388.462	XVFYZGUCMQSBHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107097
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1)c2)Cc1ccccc1	PC-id_50798072,MCULE-1593147152,EMOLS-id_32846014	388.462	VYHGHJAHHRSNLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107098
C1CN(CCn2c1ncc2C(=O)Nc1ccccc1)Cc1cc2c(cc1)OCC2	PC-id_134807680	388.462	DFUHTMOGEXTNAW-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-107099
Cc1ccc(C(=O)c2ccccc2C(=O)NCc2nnc3n2CCCCC3)cc1	PC-id_17526186,ZINC22_12769160,EMOLS-id_16752200,CoCoCo_4647661,MCULE-9936700833	388.462	OUOZXOSXLHBEPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107100
C/C=CC1=C(C=C)c2c(C#N)c(c(n2CCN1Cc1ccccc1)C(=O)OC)N	PC-id_142275945	388.462	CLUIRPGQVDZPHY-WTKPLQERSA-N	00000000100000110111000000000010000000000000000000000000	31-01-107101
C[C@H](c1ccccc1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_92750629	388.462	XVFYZGUCMQSBHZ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107102
C[C@@H](c1ccccc1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_92750630	388.462	XVFYZGUCMQSBHZ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107103
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)C1(c2ccccc2)CC1	EMOLS-id_50590097,PC-id_91922509,MCULE-3159883355	388.462	VTEHQYMSASRVDD-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-107104
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)C1Cc2c(cccc2)O1	MCULE-6310411370,EMOLS-id_337653470	388.462	VWKWSDGMAXYJIQ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-107105
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)c1cccc2COCc12	MCULE-8679071894,EMOLS-id_337828923,ZINC22_2356150865	388.462	CUDIFXMSRXWAIM-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-107106
O=C1N(CCCn2nc(cc12)C(=O)Nc1cc(c(cc1)C)C)Cc1ccccc1	PC-id_53034488,MCULE-3343452696,EMOLS-id_32632778	388.462	QESFZBZMWOHOKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107107
O=C1N(CCCn2nc(cc12)C(=O)Nc1cc(CC)ccc1)Cc1ccccc1	PC-id_50798095	388.462	XSKGKIHUBCDHDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107108
O=C1N(CCCn2nc(cc12)C(=O)NCc1c(cccc1)C)Cc1ccccc1	MCULE-9453233659,EMOLS-id_32846078,PC-id_50798066	388.462	KTIGBFUCPJXPQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107109
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)/C=Cc1ccccc1	CoCoCo_5709898	389.444	DMEOGIXCUSGPEG-KHPPLWFESA-N	00000010100000110110000000000010000000000000000000000000	31-01-107771
O=C(Cc1ccccc1)N1CCc2ccc(C(=O)NCc3cccnc3)n2CC1	ZINC22_585111060,EMOLS-id_313771726	388.462	XZHZSJLPSRDHSL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-107111
O=C([C@@H]1Cc2ccccc2O1)N1CCc2nc(CCc3ccccc3)nn2CC1	ZINC22_2100539728	388.462	VWKWSDGMAXYJIQ-FQEVSTJZSA-N	00000010100000110101000000001010000000000000000000000000	31-01-107112
O=C([C@H]1Cc2ccccc2O1)N1CCc2nc(CCc3ccccc3)nn2CC1	ZINC22_2100539729	388.462	VWKWSDGMAXYJIQ-HXUWFJFHSA-N	00000010100000110101000000001010000000000000000000000000	31-01-107113
O=C(Nc1ccccc1c1ccccc1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	MCULE-7252365393,EMOLS-id_316446508	388.462	GKTCVPMVGFHBOR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107114
c1(=O)n(C)c(C(=O)NCc2cc3n(CCCN(CC(C)C)C3)n2)cc(=O)n1C	EMOLS-id_49647630,MCULE-6070295012,ZINC22_97413252,PC-id_74234351	388.464	RGCHTHFKIYGUKO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-107115
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(=O)n2c(scc2)nc1	PC-id_51257438	388.464	QYCDQYHJAPQHQW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107116
c1cc(c2ccc(CNc3ccc(Cc4nnc5n4CCCCC5)cc3)o2)n[nH]1	ZINC22_378199479	388.466	DXWSNNSNJVUXMA-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-107117
Cc1noc2c1cc(CNc1ccc(cc1)Cc1nnc3n1CCCCC3)cn2	EMOLS-id_278239710	388.466	XHYQRSKKBBICSN-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-107118
Cc1noc([C@@H](C)N2CCN(C(=O)NCc3nnc4n3CCCCC4)CC2)n1	ZINC22_171898570	388.467	PAWXJXBEHXSLDN-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107119
Cc1noc([C@H](C)N2CCN(C(=O)NCc3nnc4n3CCCCC4)CC2)n1	ZINC22_171898571	388.467	PAWXJXBEHXSLDN-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107120
Cc1noc(n1)C(N1CCN(CC1)C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_189656666,MCULE-8111115153	388.467	PAWXJXBEHXSLDN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107121
s1c2CCCCCCc2cc1C(=O)N(CC(F)(F)F)c1scc(n1)C	PC-id_52730118	388.471	DOUJBJQNEBWHJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107122
Fc1ccc(CN(CCCCC)C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55582969	388.479	IICLJGXNCZQYAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107123
Fc1ccc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)CC(C)(C)C)cc1	PC-id_55751436	388.479	HSBXYOKGXLDBTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107124
s1c2c(CCCCC2)c(c1NC(=O)c1sc2c(c1)c(F)ccc2)C(=O)N	PC-id_55334213	388.479	IAOVJORNTCDAHH-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-107125
c1(c2CCCCCc2sc1NC(=O)C)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_1234954,ZINC22_1017523,EMOLS-id_2177257,CoCoCo_843871,MCULE-9409059277	388.481	XNGSZRLYPDFYKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107126
c1(NC(=O)c2c3CCCCCc3on2)sc2c(CCCC2)c1C(=O)OCC	MCULE-4707930230,TIMTEC202599,ZINC22_2498139,EMOLS-id_15972072,PC-id_16000250	388.481	HUBONQUHTZNONX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-107127
c1(NC(=O)c2ccc(cc2OC)OC)sc2c(CCCCC2)c1C(=O)NC	PC-id_7190287,MCULE-7665371320,ZINC22_4326503,CoCoCo_5058668,EMOLS-id_5523523,ChEMBL-DNDi_CHEMBLF1831-0020	388.481	CYDPZERIBVVWGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107128
c1(NC(=O)c2ccc(cc2OC)OC)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_5819218,SPECS-id_AK-968/12342312,MCULE-3767465782,EMOLS-id_4066527,ZINC22_2084679,PC-id_1743354	388.481	OJBOYPOJEHMLBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107129
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_5401414,MCULE-8475827790,PC-id_4392696,CoCoCo_6844864,TIMTEC529929,ZINC22_6248684	388.481	WOUKCDRDWOKSGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107130
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)NC	CoCoCo_5058675,ChEMBL-DNDi_CHEMBLF1831-0038,MCULE-4537013259,EMOLS-id_5523535,PC-id_7190289,ZINC22_4326506	388.481	NZNHGFWBYRFLPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107131
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C(=O)N	SPECS-id_AK-968/12163652,CHEMBL208628,PC-id_1742780,CoCoCo_739618,TIMTEC67538,MCULE-8469808753,ZINC22_2083933,BindingDB_PC-id_1742780,ChEMBL-DNDi_CHEMBL6101721,EMOLS-id_2388473	388.481	AZEUXKDDOTYWFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107132
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_2017832,PC-id_1740720,ZINC22_2081385,SPECS-id_AK-968/11842202,MCULE-8991278578,CoCoCo_682930	388.481	VBJBFXDOYCTDEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107133
c1(NC(=O)C2C(C(=O)O)C3C=CC2C3)sc2c(CCCCCC2)c1C(=O)N	TIMTEC413990,EMOLS-id_4066493,PC-id_5058745,MCULE-5540795120	388.481	QVMVBPAPBMXUBR-UHFFFAOYSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107134
c1(NC(=O)c2noc3CCC(C)Cc23)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_8860708,PC-id_17023204,MCULE-4230186108,TIMTEC550814	388.481	XMFVFNXVUKSREM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-107135
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)N	CoCoCo_741895,PC-id_1221782,MCULE-3264103923,ZINC22_997300,EMOLS-id_1116928	388.481	OIAIARCHUFSVHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107136
CCc1ccc([C@@H]2COCCN2C(=O)CN2CCCc3sccc3C2=O)o1	ZINC22_83825448,PC-id_96996581	388.481	XQQPNQZSKKRCSB-INIZCTEOSA-N	00000000101010000101100000000010000000000000000000000000	31-01-107137
CCc1ccc([C@H]2COCCN2C(=O)CN2CCCc3sccc3C2=O)o1	ZINC22_83825449,PC-id_96996582	388.481	XQQPNQZSKKRCSB-MRXNPFEDSA-N	00000000101010000101100000000010000000000000000000000000	31-01-107138
CCc1ccc(o1)C1COCCN1C(=O)CN1CCCc2c(C1=O)ccs2	MCULE-2065734447,EMOLS-id_44569530,PC-id_71875155	388.481	XQQPNQZSKKRCSB-UHFFFAOYSA-N	00000000101010000101100000000010000000000000000000000000	31-01-107139
CCOc1ccc(cc1)OCC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_99141360	388.481	AWESRTFYBFJCMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107140
COc1ccc(c(c1)CC(=O)Nc1sc2c(c1C(=O)N)CCCCC2)OC	PC-id_60001358,SCHEMBL8289502	388.481	GOGPYZUFULGIPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107141
COc1ccc(c(c1)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2)OC	EMOLS-id_48953761,PC-id_24444617,CoCoCo_3672205,MCULE-7147301955	388.481	VJEBYMFFLVBXTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107142
COc1cccc(c1OC)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_16782087,PC-id_8140744,CoCoCo_3415957,MCULE-5365811641	388.481	PWNLOMFKGRCTEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107143
COc1cc(/C=C/C(=O)Nc2nc3CCCCCc3s2)cc(OC)c1OC	CoCoCo_4546078,ZINC22_14554184,EMOLS-id_48920684,PC-id_45864701	388.481	JSDKVUVWTQWZCV-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107144
COc1cc(/C=CC(=O)Nc2nc3c(s2)CCCCC3)cc(c1OC)OC	CoCoCo_4546079	388.481	JSDKVUVWTQWZCV-KTKRTIGZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107145
COc1cc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc(OC)c1C	ZINC22_71795511,EMOLS-id_36988393,MCULE-4631408825,PC-id_56777531	388.481	PGZDFIAJUGOPKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107146
COc1c(OC)c(OC)cc(C=CC(=O)Nc2sc3c(CCCCC3)n2)c1	PC-id_72029900,MCULE-1227843863,EMOLS-id_44038002	388.481	JSDKVUVWTQWZCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107147
COC(=O)c1c(NC(=O)c2[nH]c(C)c(C(=O)C)c2C)sc2c1CCCCC2	PC-id_71941055,ZINC22_89502479,MCULE-4992823145,EMOLS-id_45637628	388.481	AVZBLECDLVOLLI-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-107148
COC(=O)c1c(NC(=O)c2noc3c2C[C@H](C)CC3)sc2c1CCCCC2	PC-id_40445673,CoCoCo_6589274,ZINC22_2805597	388.481	XMFVFNXVUKSREM-LLVKDONJSA-N	00000000100010000101000000010010000000000000000000000000	31-01-107149
COC(=O)c1c(NC(=O)c2noc3c2C[C@@H](C)CC3)sc2c1CCCCC2	ZINC22_2805596,PC-id_40445672,CoCoCo_6589275	388.481	XMFVFNXVUKSREM-NSHDSACASA-N	00000000100010000101000000010010000000000000000000000000	31-01-107150
NC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_239402608	388.481	QVMVBPAPBMXUBR-LWWSYDQCSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107151
NC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_239402609	388.481	QVMVBPAPBMXUBR-UOVKNHIHSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107152
NC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_4112822,CoCoCo_6803271,PC-id_51399763	388.481	QVMVBPAPBMXUBR-BVIHXZOGSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107153
NC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_4112823,PC-id_51399765,CoCoCo_6803270	388.481	QVMVBPAPBMXUBR-PKIAMQTDSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107154
NC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCC2	PC-id_98054718,ZINC22_100093793	388.481	QVMVBPAPBMXUBR-AZHAFVHUSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107155
NC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCC2	ZINC22_100093798,PC-id_98054720	388.481	QVMVBPAPBMXUBR-GVARAGBVSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107156
O=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCCc2c(C1)cco2	EMOLS-id_99370696	388.481	WLUGOACCYVBXRW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-107157
O=C([C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCC2	CoCoCo_6803272	388.481	QVMVBPAPBMXUBR-BAESOJJISA-N	00000011100000000100000000000110000000000000000000000000	31-01-107158
O=C([C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCC2	CoCoCo_6803274	388.481	QVMVBPAPBMXUBR-RBDSIQFVSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107159
O=C([C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCC2	CoCoCo_6803275	388.481	QVMVBPAPBMXUBR-FDRIWYBQSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107160
O=C([C@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCC2	CoCoCo_6803277	388.481	QVMVBPAPBMXUBR-IDTSFGKNSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107161
O=C([C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCC2	PC-id_27521313,CoCoCo_6803273	388.481	QVMVBPAPBMXUBR-DRABBMOASA-N	00000011100000000100000000000110000000000000000000000000	31-01-107162
O=C([C@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCC2	PC-id_40421744,CoCoCo_6803276	388.481	QVMVBPAPBMXUBR-JLUCKKNBSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107163
O=C(N1CCCc2c(C1)cco2)c1ccc(cc1)S(=O)(=O)N1CCCCC1	EMOLS-id_99321907	388.481	KMMXTBKMCHPRPW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-107164
O=C(N1CCCc2c(C1)cco2)c1cccc(c1)S(=O)(=O)N1CCCCC1	EMOLS-id_99321910	388.481	NMQOSHANBWXXBU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-107165
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(OC)c(OC)c(OC)c1	PC-id_78620814	388.481	PYQDUCSSRDBAQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107166
s1c2CCCCCc2cc1C(=O)NN=Cc1c(OC)cc(OC)c(OC)c1	PC-id_78620865	388.481	ZBXJMAQSLPXCPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107167
s1c2CCCCCc2cc1C(=O)NN=Cc1c(OC)c(OC)c(OC)cc1	PC-id_78620849	388.481	RTBPLGXMTXUGKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107168
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(c(OC)c1)C	PC-id_46657010	388.481	KOEGTTOGRSPDHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107169
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OCC)c(OC)cc1	PC-id_31845631	388.481	XEIGLMYIXZIQBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107170
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OCC)cc1	PC-id_35425988	388.481	BWTOUVGXLHPAKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107171
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(OCCOC)cccc1	PC-id_55996438	388.481	JRHJTGBPGZVSFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107172
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1c(OC)ccc(OC)c1	PC-id_78822468	388.481	OWJPWRNEZFJDRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107173
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1c(OC)cc(OC)cc1	PC-id_24448003	388.481	ABJCMVIKJJAJNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107174
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1ccc(OCC)cc1	PC-id_9301254	388.481	DMOOKSCFOODXKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107175
s1c2CCCCCc2cc1C(=O)NNC(=O)COCCOc1ccccc1	PC-id_46458573	388.481	HTNGXIVFOLQYKD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107176
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC	PC-id_7475061	388.481	RCXZYXUCKYKMKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107177
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)c(OCC)cc1)C(=O)N	PC-id_52894696	388.481	MLUVMEZVQUGSRM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107178
s1c2c(CCCCC2)c(c1NC(=O)c1c(OC)cccc1OC)C(=O)NC	PC-id_7475113	388.481	ATCDGSXTNIFABR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107179
s1c2c(CCCCC2)c(c1NC(=O)c1c(OCCOC)cccc1)C(=O)N	PC-id_60564672	388.481	DLODPZAETHSMIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107180
s1c2c(CCCCC2)c(c1NC(=O)CNc1c(OC)cccc1)C(=O)OC	PC-id_9345228	388.481	SKAPOAPKLDRWMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107181
s1c2c(CCCCC2)c(c1NC(=O)COc1c(OCC)cccc1)C(=O)N	PC-id_55334277	388.481	WZIQSMKXKNRMOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107182
s1c2c(CCCCC2)c(c1NC(=O)COCCOc1ccccc1)C(=O)N	PC-id_55755319	388.481	SXVUQSOKARXLCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107183
s1c2CCCCCc2nc1NC(=O)CCC(=O)c1cc(OC)c(OC)cc1	PC-id_24611776	388.481	MYLABORQLQEEPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107184
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(OC)cc(OC)c1	PC-id_24643157	388.481	XDKPWBCAYWYEIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107185
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OC)cc1	PC-id_24643159	388.481	OGKJMTMLFVZQHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107186
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(OC)cc(OC)cc1	PC-id_8140745	388.481	SKXUFDQGRLSQRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107187
s1c2CCCCCCc2cc1C(=O)NNC(=O)COc1ccc(OC)cc1	PC-id_24643149	388.481	NAQXZOTZQWKAHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107188
CCCCCCC1(CCCCCC)COc2c(OC1)c([se]c2Br)Br	PC-id_140593257	529.208	DKXIGCVYHWINCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155729
s1c2CCCCCCc2cc1C(=O)NNC(=O)COc1c(OC)cccc1	PC-id_24409814	388.481	VSDRGWXDFNRFEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107189
s1c2CCCCCCc2nc1NC(=O)COc1c(OC)cc(cc1)C(=O)C	PC-id_56021716	388.481	XBGBNNMBVVHVMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107190
CCC(Oc1cccc(c1)F)CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_109475237	388.482	HDFNTLTWXHRLNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107191
CCNC(=NCc1nnc2n1CCCCC2)NCC(Oc1ccc(cc1)F)C	PC-id_111678618	388.482	GQQIYUQIMAVCKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107192
CCNC(=NCc1nnc2n1CCCCC2)NCC(Oc1cccc(c1)F)C	PC-id_111681844	388.482	LCDBGVZDRPKWLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107193
CCNC(=NCc1nnc2n1CCCCC2)NCC(Oc1ccccc1F)C	PC-id_111684820	388.482	RXDOOAACHCJWDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107194
CN=C(NCC(Oc1ccc(cc1)F)C)NCCc1nnc2n1CCCCC2	PC-id_111677882	388.482	WDYBZNSRRUIVEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107195
CN=C(NCC(Oc1cccc(c1)F)C)NCCc1nnc2n1CCCCC2	PC-id_111681102	388.482	VONRXZDIARXZHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107196
CN=C(NCC(Oc1ccccc1F)C)NCCc1nnc2n1CCCCC2	PC-id_111684006	388.482	LFSHLGJOQPAICS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107197
Fc1cc([C@@H](N(C)C)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52273784	388.482	BAPOYEITUWIYHC-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107198
Fc1cc([C@H](N(C)C)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52273786	388.482	BAPOYEITUWIYHC-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107199
Fc1cc(C(N(C)C)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_75818314	388.482	BAPOYEITUWIYHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107200
N#Cc1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCCCC2	MCULE-6856533540,ZINC22_3209598,PC-id_2329931,CoCoCo_3268385,EMOLS-id_43827646	388.482	VTHFERHLMZSEFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107201
c12C(=O)NCC(O)Cn1nc(C(=O)N(CCC)Cc1ccc(cc1)SC)c2	MCULE-4907478961,EMOLS-id_55661075,PC-id_91836922	388.484	XMIDIDOUJRGMDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107202
c12C(=O)NCC(O)Cn1nc(C(=O)N(CC)CCSc1ccc(cc1)C)c2	MCULE-2139154258,PC-id_119071528,EMOLS-id_82734639	388.484	OWKKNUFEEFZANI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107203
c12C(=O)NCC(O)Cn1nc(C(=O)N(C)CCCSc1ccc(cc1)C)c2	MCULE-5437537691,PC-id_91830860,EMOLS-id_55619386	388.484	JKBPAOPZWDVRIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107204
c1(C(=O)N(C2CCCC2)Cc2ccc(C)s2)cc2n(CC(CNC2=O)O)n1	EMOLS-id_82722737,PC-id_119067140,MCULE-4143527239	388.484	SQFIQVPQDPYYEF-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-107205
CC1Cc2c(N1C(=O)C)ccc(c2)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946069	388.484	ILANXTJWVZWTCJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-107206
Cc1cc(ccc1C(=O)N1CCCc2c(C1)cnn2C)N1CCCS1(=O)=O	EMOLS-id_101672999	388.484	GFCWMBXTMXQANT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-107207
Cc1cc(ccc1)CSCCCNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135101275	388.484	HBQUUUPVZAYGQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107208
Cc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	MCULE-4188183644,EMOLS-id_33086484,PC-id_53182837	388.484	JNVDWLWRZPVARB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107209
Cc1ccccc1N1CCN(CC1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	MCULE-7937346424,EMOLS-id_33086488,PC-id_53182839	388.484	UZYFLXQLJZGQAE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107210
Cc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	PC-id_53182840,MCULE-7717421174,EMOLS-id_33086490	388.484	OKOQJUTUNUTCQC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107211
Cc1cccc(c1)S(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	EMOLS-id_44370316,PC-id_97519468,ZINC22_96259384	388.484	SKKGKMPJNRMQSB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-107212
Cc1ccc(cc1)S(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	PC-id_97519467,ZINC22_96259383,EMOLS-id_44370314	388.484	NRDXKFJUTYTOFB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-107213
Cc1ccccc1S(=O)(=O)N1CCCn2nc(cc2C1)C(=O)N1CCCC1	PC-id_50966663,EMOLS-id_32403220,MCULE-5235116741,ZINC22_65409322	388.484	UHQOAYADXJENNL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-107214
Cc1ccc(CN(C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)C2CCCC2)s1	ZINC22_426523229	388.484	SQFIQVPQDPYYEF-AWEZNQCLSA-N	00000010100100000101000000000010000000000000000000000000	31-01-107215
Cc1ccc(CN(C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)C2CCCC2)s1	ZINC22_426523230	388.484	SQFIQVPQDPYYEF-CQSZACIVSA-N	00000010100100000101000000000010000000000000000000000000	31-01-107216
Cc1ccc(SCCCN(C)C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)cc1	ZINC22_244691852	388.484	JKBPAOPZWDVRIP-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107217
Cc1ccc(SCCCN(C)C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)cc1	ZINC22_244691853	388.484	JKBPAOPZWDVRIP-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107218
CCCN(Cc1ccc(SC)cc1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244875081	388.484	XMIDIDOUJRGMDP-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107219
CCCN(Cc1ccc(SC)cc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244875082	388.484	XMIDIDOUJRGMDP-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107220
CC(C(=O)O)Sc1ccccc1C(=O)NCCc1nnc2n1CCCCC2	PC-id_119180005	388.484	QMPLDBRCUQFHDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107221
CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc2n1CCCCC2	PC-id_8379223,ZINC22_7280574,MCULE-3653798178,CoCoCo_4054289,EMOLS-id_13482428	388.484	KWMHDDOIQVBAPG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-107222
CCN(CCSc1ccc(C)cc1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426632894	388.484	OWKKNUFEEFZANI-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107223
CCN(CCSc1ccc(C)cc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426632895	388.484	OWKKNUFEEFZANI-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107224
CS(=O)(=O)N1CCCn2nc(CNC(=O)C3CCc4ccccc34)cc2C1	EMOLS-id_46045541,MCULE-2578897655,PC-id_72866028	388.484	ILYAOOJDSNZZMP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-107225
CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@H]3CCc4ccccc34)cc2C1	PC-id_97121396,ZINC22_91494307	388.484	ILYAOOJDSNZZMP-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-107226
CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@@H]3CCc4ccccc34)cc2C1	ZINC22_91494304,PC-id_97121395	388.484	ILYAOOJDSNZZMP-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-107227
CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2C1	PC-id_72920702,ZINC22_91915011,MCULE-8516571089,EMOLS-id_46085285	388.484	WTLOBNRRSGJFPY-ZWKOTPCHSA-N	00100000100000110101100000000010000000000000000000000000	31-01-107228
CS(=O)(=O)N1CCCn2nc(CNC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2C1	ZINC22_1565527977	388.484	WTLOBNRRSGJFPY-MSOLQXFVSA-N	00100000100000110101100000000010000000000000000000000000	31-01-107229
n12CCN(CCc1nn(CC1CC1)c2=O)S(=O)(=O)c1ccc2CCCc2c1	EMOLS-id_50585749,PC-id_91910683,MCULE-9613888098	388.484	NKPJZQPWDNUZOG-UHFFFAOYSA-N	00100010100000100101000000001010000000000000000000000000	31-01-107230
O=C1CCCN1Cc1ncn2c1CN(CCC2)S(=O)(=O)Cc1ccccc1	PC-id_97519466	388.484	FVMMJMDFLYODDS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-107231
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCOC)C)CC2)ccc1)C	PC-id_42436200	388.484	YQUQSOVLYSDPON-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-107232
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)ccc1)C	PC-id_42436203	388.484	YQUQSOVLYSDPON-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-107233
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)ccc1)C	PC-id_74803363	388.484	YQUQSOVLYSDPON-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-107234
Oc1c(C[NH+]2CCn3c(nnc3CCNC(=O)C(C)C)CC2)cc(OC)cc1	PC-id_42437748	388.484	FBVXEJFXMQEUFS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-107235
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCOC)C)CC2)cccc1)C	PC-id_42213832	388.484	FIHWRPCOXQVOMN-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-107236
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)cccc1)C	PC-id_42213836	388.484	FIHWRPCOXQVOMN-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-107237
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)cccc1)C	PC-id_74781864	388.484	FIHWRPCOXQVOMN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-107238
O=C1NCCCn2cc(cc12)S(=O)(=O)N1CCN(Cc2ccccc2)CC1	PC-id_53182761,MCULE-2636753197,EMOLS-id_33086162	388.484	AESMYDOLYSBDMJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107239
O=C(c1c2c(CCCCC2)[nH]n1)N1CCN(S(=O)(=O)c2ccccc2)CC1	EMOLS-id_323250357,MCULE-1112168826	388.484	CIOGFUSMMKSLDW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107240
O=C([C@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCCc2c(C1)cnn2C	EMOLS-id_101678426	388.484	PNVUODBITKNGLT-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-107241
O=C(N1CCCc2c(C1)cnn2C)c1ccc(cc1)S(=O)(=O)N1CCCC1	EMOLS-id_101668239	388.484	FSTHNNVICIPIIM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-107242
O=C(N1CCN(CC1)C(=O)c1ccco1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890292	388.484	LWDCNMIMVGPGBT-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-107243
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1nn(CCC)c(=O)cc1	PC-id_35431394	388.484	BNZZJKCOENBCJG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-107244
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(cc1)C(=O)OC(C)C	PC-id_7876724	388.484	XCAWHLOPTIITPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107245
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(cc1)C(=O)OCCC	PC-id_7876788	388.484	PADDCWLFYWPFER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107246
S(c1n2CCCCCc2nn1)CC(=O)NC(Cc1ccccc1)C(=O)OC	PC-id_78679844	388.484	QKBRWCPSACROBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107247
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](Cc1ccccc1)C(=O)OC	PC-id_8379727	388.484	QKBRWCPSACROBL-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107248
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)OC	PC-id_8379730	388.484	QKBRWCPSACROBL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107249
S(CCn1c2NC=NCC(O)c2nc1)c1c(C(C)C)cccc1C(=O)OC	PC-id_10715323	388.484	XAAGWCIPWXPVRM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-107250
c12CN(CCCn1nc(CNC(=O)CSc1ccncc1)c2)C(=O)N(C)C	MCULE-3955810361,EMOLS-id_46092755,ZINC22_92020900,PC-id_72930937	388.487	ZRENBDQHZNBQAE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-107251
c12nnnn1CCCCC2C(=O)N1CCCN(CC1)C(=O)c1ccc(C)s1	MCULE-5425402204,EMOLS-id_316209598,PC-id_134701129	388.487	LJVWSPGSMWKYNA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107252
c12nnnn1CCCCC2C(=O)N1CCCN(CC1)C(=O)Cc1ccsc1	EMOLS-id_317513607,MCULE-9471519904,PC-id_137338867	388.487	RRWYHCVDXIEQBU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107253
c1(C(CC(C)C)NS(=O)(=O)c2cccc(c2)C#N)nnc2CCNCCn12	EMOLS-id_36437248,PC-id_56708720,MCULE-1151816798	388.487	RHPLAWXTMVNWLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107254
Cc1ccc(C(=O)N2CCCN(C(=O)[C@H]3CCCCn4nnnc34)CC2)s1	ZINC22_1529125122	388.487	LJVWSPGSMWKYNA-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107255
Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H]3CCCCn4nnnc34)CC2)s1	ZINC22_1529125129	388.487	LJVWSPGSMWKYNA-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107256
CC1CCN(CC1)C(=O)c1nnn2CCCN(Cc12)C(=O)c1csc(C)n1	EMOLS-id_313848621,ZINC22_1565546229	388.487	WIGSKNAZGAAPDK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107257
Cc1csc(C(=O)N2Cc3ncnn3C[C@H](C(=O)N3CCN(C)CC3)C2)c1	ZINC22_1565552624	388.487	QDFUSKIIWAEMPG-CQSZACIVSA-N	00000000100110000101000000000010000000000000000000000000	31-01-107258
Cc1csc(C(=O)N2Cc3ncnn3C[C@@H](C(=O)N3CCN(C)CC3)C2)c1	ZINC22_1614931694	388.487	QDFUSKIIWAEMPG-AWEZNQCLSA-N	00000000100110000101000000000010000000000000000000000000	31-01-107259
CC(C)C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1nnc2n1CCNCC2	PC-id_95209663,ZINC22_67771690	388.487	RHPLAWXTMVNWLN-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107260
CC(C)C[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1nnc2n1CCNCC2	ZINC22_67771688,PC-id_95209662	388.487	RHPLAWXTMVNWLN-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107261
Cn1ccc(n1)N1CCCC(C1=O)NC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_100973605	388.487	LWHQICKKSSUILB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-107262
CN1CCN(CC1)C(=O)C1CN(Cc2ncnn2C1)C(=O)c1cc(C)cs1	EMOLS-id_313722328	388.487	QDFUSKIIWAEMPG-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-107263
Cn1ncc(c1)N1CCN(CC1=O)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101069227	388.487	UCSMZLYEFVNFAN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-107264
O=C(c1sc2c(c1)CCCCCC2)N1CCN(CC1)C(=O)Cn1cnnn1	EMOLS-id_110415196,PC-id_78904570	388.487	XAXKVFXOMQUSDT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107265
O=C(Cc1ccsc1)N1CCCN(C(=O)[C@H]2CCCCn3nnnc23)CC1	ZINC22_1772706388	388.487	RRWYHCVDXIEQBU-HNNXBMFYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107266
O=C(Cc1ccsc1)N1CCCN(C(=O)[C@@H]2CCCCn3nnnc23)CC1	ZINC22_1772706401	388.487	RRWYHCVDXIEQBU-OAHLLOKOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107267
O=C(NC1CCN(C1=O)c1cnn(c1)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103833	388.487	UYOMPLCRJHRWJY-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-107268
s1c(N2CCCC2=O)nc(CC(=O)NCCc2n3CCCCCc3nn2)c1	PC-id_51304517	388.487	RPRDEEOUTIINPQ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-107269
S(c1n2CCCCCc2nn1)Cc1nc(N2CCCC2)ncc1C(=O)OC	PC-id_52166879	388.487	SBGBIAUKPUVOGP-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-107270
S=c1n2CCCCCc2nn1CN1CCN(CC1)c1ccc([N+](=O)[O-])cc1	PC-id_8205518	388.487	JPEWNCKGVBLAAE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107271
Fc1ccc(cc1)CC(C(=O)N)CNC(=O)c1sc2c(c1)CCCCCC2	MCULE-1331005534,EMOLS-id_44144852,PC-id_47074594	388.499	VMSVSGBGAJDOPG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107272
NC(=O)[C@H](CNC(=O)c1cc2c(s1)CCCCCC2)Cc1ccc(F)cc1	ZINC22_58153636,PC-id_52500140	388.499	VMSVSGBGAJDOPG-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107273
NC(=O)[C@@H](CNC(=O)c1cc2c(s1)CCCCCC2)Cc1ccc(F)cc1	ZINC22_58153639,PC-id_52500141	388.499	VMSVSGBGAJDOPG-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107274
s1c2CCCCCCc2cc1C(=O)Nc1cc(F)c(N2CCOCC2)cc1	PC-id_56499844	388.499	HFWYMCULMXRRQA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107275
s1c2CCCCCCc2nc1NC(=O)C1(CCOCC1)c1ccc(F)cc1	PC-id_56060791	388.499	KUAPCXJEUAUKLL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107276
Oc1ccc(C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)cc1	PC-id_10834159	388.5	XECMNHDIMWYVBV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-107277
c12-c(cc(ccc1C)C(C)C)c(cc2C=NNC(=O)CCc1ccc(O)cc1)C	MCULE-1995045584,PC-id_2741005	388.502	BBBBYOCTVVWGJF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-107278
C1CNSc2c(C1=O)n(cc2)CCCN1CCN(CC1)c1ccc(cc1)F	PC-id_90890309	388.502	VFFLAXUIRWLWOC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107279
CC1=C([S]=C(N1)c1ccc(F)cc1)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_320521022	388.502	JXKFHRIMORKKPL-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-107280
CC(C)c1ccc(C)c2-c(c(cc2/C=NNC(=O)CCc2ccc(O)cc2)C)c1	EMOLS-id_5791796	388.502	BBBBYOCTVVWGJF-YSMPRRRNSA-N	00000010100000110110000000000010000000000000000000000000	31-01-107281
Fc1ccc(cc1)N1CCN(CC1)CC(=O)Nc1nc2c(s1)CCCCC2	PC-id_71601553,BindingDB_PC-id_71601553	388.502	FTDOQJKKLVDXPL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107282
c12CN(CCCn1nc(CNC(=O)C1CCOC(C)(C)C1)c2)C(=O)C1CCC1	PC-id_72853859,EMOLS-id_46036879,MCULE-8091832363	388.504	TYSPDFOAZOBIIH-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-107283
c1(NC(=O)c2cccc(c2)S(=O)(=O)CC)sc2c(CCCCC2)c1C#N	EMOLS-id_4983691,CoCoCo_5157916,MCULE-3779126947,ZINC22_4585823,PC-id_7295228	388.504	ZVJGSUVHWOFHSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107284
c1(NC(=O)c2ccc(cc2)S(=O)(=O)CC)sc2c(CCCCC2)c1C#N	EMOLS-id_5588077,PC-id_7295285,MCULE-8664733746,ZINC22_4585887,CoCoCo_5158097	388.504	CNDPPADDRIZQHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107285
c1(NC(=O)c2ccccc2S(=O)(=O)CC)sc2c(CCCCC2)c1C#N	PC-id_7295162,EMOLS-id_5587721,ZINC22_4585750,MCULE-5934225728,CoCoCo_5157762	388.504	QOTPIGZJHKKKFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107286
c1(NC(=O)Cc2ccc(cc2)S(=O)(=O)C)sc2c(CCCCC2)c1C#N	PC-id_18586914,EMOLS-id_5627088,ZINC22_10252682,ChEMBL-DNDi_CHEMBLF2829-0092,CoCoCo_5191491,MCULE-5567258458	388.504	RCXVDCIKJRPUST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107287
c1(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c(CCCCC2)c1C#N	MCULE-9074705384,PC-id_7189670,EMOLS-id_5522514,CoCoCo_5057582,ZINC22_4325535	388.504	FVYMYAQHVPYYHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107288
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)C)sc2c(CCCCC2)c1C#N	MCULE-4785693373,EMOLS-id_22735410,CHEMBL1368732,PC-id_7254214,CoCoCo_5137894,ChEMBL-DNDi_CHEMBLF2536-0098,ZINC22_4496133	388.504	HFFPQYRNGFGMDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107289
CC1CCCCN1C(=O)CN1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100924632	388.504	QBILMCNFFKQILT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107290
CC1(C)C[C@@H](C(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)CCO1	PC-id_97115857,ZINC22_91391163	388.504	TYSPDFOAZOBIIH-INIZCTEOSA-N	00001000100010000101000000000010000000000000000000000000	31-01-107291
CC1(C)C[C@H](C(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)CCO1	ZINC22_91391162,PC-id_97115856	388.504	TYSPDFOAZOBIIH-MRXNPFEDSA-N	00001000100010000101000000000010000000000000000000000000	31-01-107292
CC(C(=O)NC1CCCC1)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100121868	388.504	DUPGMBIDUXHOKK-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-107293
COc1cc(CN(C)C2CCc3nn(C)c(=O)n3CC2)ccc1OCC(C)C	MCULE-7810790055,EMOLS-id_97041635	388.504	JTZZOXGMXBLURI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107294
N#C/C(=C(/c1sc2c(c1)CCCCCC2)[O-])/C(=O)NCCN1CCOCC1	GD-id_ZINC48929567	388.504	YQDJPUFAMRRVLN-KNTRCKAVSA-M	00000000100010000101000000000010000000000000000000000000	31-01-107295
O=C(CN1CCN(CC1)C(=O)c1noc2c1CCCCC2)NC1CCCCC1	EMOLS-id_100961016	388.504	IEIUOHPSAMOEFO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107296
O=C(N1CCCCCC1)CN1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100950483	388.504	SJKWWFKIIWYCEY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107297
O=C(NC1CCCCC1)NC1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100946724	388.504	GMEZTYUYAGOYMR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107298
s1c2CCCCCc2cc1C(=O)OCC1=NC(=O)C2C(=C(SC2=N1)C)C	PC-id_73274879	388.504	NCZHCBDETRTCEI-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-107299
s1c2CCCCCc2cc1C(=O)OCc1[nH]c(=O)c2c(c(sc2n1)C)C	PC-id_16571161	388.504	GIRJWRJLWVKBTF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107300
s1c2c(CCCCC2)c(c1Nc1sc2c(n1)ccc(OC)c2)C(=O)OC	PC-id_43968511	388.504	LRUONFVLBHFTCZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107301
s1c2c(CCCCC2)c(c1Nc1sc2c(n1)c(OC)ccc2)C(=O)OC	PC-id_43968345	388.504	HZKJGVQQBBLYBE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107302
s1c2c(CCCCC2)c(c1NC(=O)C[n+]1ccc(N(C)C)cc1)C(=O)OC	PC-id_8863771	388.504	NRLIIKSHESVONB-UHFFFAOYSA-O	00000000100000101100000000000010000000000000000000000000	31-01-107303
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1sccc1C)C)C#N	PC-id_55417803	388.504	FPGPFUZDTBISAW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-107304
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1sc(cc1)C)C)C#N	PC-id_55417850	388.504	BMXZZRAKUKVRAU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-107305
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCc1ccsc1)C#N	PC-id_30060732	388.504	OIHPYVBOAIDVCQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-107306
s1c2CCCCCc2c(c1NC(=O)CS(=O)(=O)Cc1ccccc1)C#N	PC-id_41581967	388.504	XYEIIGVTMLBBEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107307
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)c1ccccc1)C(=O)OC	PC-id_24020687	388.504	HUAMCEJCQACATI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107308
s1c2CCCCCCc2cc1C(=O)OCc1nc2scc(n2c(=O)c1)C	PC-id_24341564	388.504	FCFMDULNOAYRRJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107309
s1c2CCCCCCc2cc1C(=O)OC(c1oc(nn1)c1sccc1)C	PC-id_43031829	388.504	YQVRGMKLXKRPTH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-107310
s1c2CCCCCCc2cc1C(=O)OC(C)C(=O)Nc1sccc1C#N	PC-id_84878997	388.504	PRKXWTVBLDSQPP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-107311
s1c2CCCCCCc2cc1C(=O)OCC(=O)C(c1scc(n1)C)C#N	PC-id_84882154	388.504	ZRLAANAAVBTAGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107312
s1c2CCCCCCc2cc1C(=O)OCC(=O)[C@@H](c1scc(n1)C)C#N	PC-id_8953966	388.504	ZRLAANAAVBTAGP-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107313
s1c2CCCCCCc2cc1C(=O)O[C@@H](C)C(=O)Nc1sccc1C#N	PC-id_8943255	388.504	PRKXWTVBLDSQPP-LBPRGKRZSA-N	00000000100100000100000000000010000000000000000000000000	31-01-107314
s1c2CCCCCCc2cc1C(=O)O[C@H](C)C(=O)Nc1sccc1C#N	PC-id_8943265	388.504	PRKXWTVBLDSQPP-GFCCVEGCSA-N	00000000100100000100000000000010000000000000000000000000	31-01-107315
c1(ccc2CN(CCCn12)Cc1ccccc1)C(=O)N(C)CCc1ccccn1	EMOLS-id_317417818,MCULE-8781790562	388.505	JJVUTGWTCWCFBR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-107316
C1CN(CCn2c1ncc2C(=O)NCc1ccccc1)CCCc1ccccc1	PC-id_134805870	388.505	BHIGQMRQMDOHBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107317
C1CN(CCn2c1ncc2C(=O)NCCc1ccccc1)CCc1ccccc1	PC-id_134807147	388.505	GXJXTSLBTMNMSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107318
Cc1c(cc(cc1)N1CC[C@H](C1)N(C)C)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478344	388.505	KEPRZLOCNFOMRR-LJQANCHMSA-N	00000010100000110110100000000010000000000000000000000000	31-01-107319
Cc1c(cc(cc1)N1CCCN(CC1)C)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478327	388.505	RUVFTPOSMRAKEY-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-107320
CC1NC[C@@H](N(C1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C)C	SCHEMBL13076654	388.505	QFKGBWVBBFYKIA-ZSUSHWMOSA-N	00000010100010110111100000000010000000000000000000000000	31-01-107321
CC(C)c1ccc(cc1)CN1CCc2ncc(n2CC1)C(=O)Nc1ccccc1	PC-id_134807162	388.505	WIDNQAQUPWXQGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107322
CCC(=Nc1cc(ccc1C)N1CCNCC1C)c1c(=O)[nH]c2-c1ccccc2	PC-id_144080633	388.505	OHDBMGDEUDVDSU-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-107323
CCC(=Nc1cc(ccc1C)N1CCNCCC1)c1c(=O)[nH]c2-c1ccccc2	PC-id_144080555	388.505	SDOPZBDYHKIYFP-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-107324
C=CCOc1ccccc1CN1CCc2nnc(CCc3ccccc3)n2CC1	MCULE-6174128295,ZINC22_14963372,PC-id_26323879,CoCoCo_1449848,EMOLS-id_20621187,CoCoCo_1449847	388.505	QZLJMAFFRHUAOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107325
C[C@H]1CNC(CN1c1cc(c(cc1)C)N=C(C)c1c2-c(ccccc2)[nH]c1=O)C	PC-id_136478276	388.505	QFKGBWVBBFYKIA-DJNXLDHESA-N	00000010100010110111100000000010000000000000000000000000	31-01-107326
CCN1CCN(CC1)c1cc(c(cc1)C)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478284	388.505	HLIKUEATNKNCTD-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-107327
CCN1CCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076927	388.505	HLIKUEATNKNCTD-XIEYBQDHSA-N	00000010100010110111100000000010000000000000000000000000	31-01-107328
CN1CCCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077202	388.505	RUVFTPOSMRAKEY-XIEYBQDHSA-N	00000010100000110111100000000010000000000000000000000000	31-01-107329
CN([C@@H]1CCN(C1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C)C	SCHEMBL13077361	388.505	KEPRZLOCNFOMRR-WZGTUUFSSA-N	00000010100000110110100000000010000000000000000000000000	31-01-107330
COc1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2CCc1ccccc1	CoCoCo_1185882,CoCoCo_1185880	388.505	UAGJPJZOXXKFIE-YVMONPNESA-N	00000000100000110101000000000010000000000000000000000000	31-01-107331
COc1ccc(/C=C/CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1	ZINC22_12200866,CoCoCo_1185881,EMOLS-id_44851539,CoCoCo_1185883,PC-id_42459798	388.505	UAGJPJZOXXKFIE-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107332
n12CCN(CCc1nnc2CCc1ccccc1)CC=Cc1ccc(cc1)OC	MCULE-5022900257,PC-id_74805237	388.505	UAGJPJZOXXKFIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107333
c1(C(=O)NCc2cc([nH]n2)COC)cn2c(CCN(C(C)CCCC)CC2)n1	MCULE-8447995579,EMOLS-id_336468937	388.507	AVPYSWUNBANVMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107334
c1(NC(=S)NC(=O)c2cccnc2)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_5127556,TIMTEC465304,SPECS-id_AK-968/15607314,ZINC22_5769365,PC-id_4491938,MCULE-4211549965,CoCoCo_5830685	388.507	TUPSNCGBQIRDRR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-107335
c1(NC(=S)NC(=O)c2ccncc2)sc2c(CCCCCC2)c1C(=O)N	MCULE-7164011992,ZINC22_2316293,STOCK2S-75101,TIMTEC199250,EMOLS-id_4456946,PC-id_1932878	388.507	HQHSEQLYRWXQPQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-107336
Cc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)n1	MCULE-5664493252,SPECS-id_AT-225/NB85496,PC-id_135455055,ZINC22_5634739	388.507	YXBORJOAEYWTIB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-107337
Cc1nc2sccn2c1CN(C)C(=O)CN1CCCc2sccc2C1=O	PC-id_71924855,EMOLS-id_45658779,MCULE-2796719849,ZINC22_89547741	388.507	OUKPSZAIHNZZAK-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-107338
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CCN(CC1)C(=O)C1CC1	EMOLS-id_100569553	388.507	WKSYSDFDERNUQB-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-107339
CCCC[C@H](C)N1CCc2nc(C(=O)NCc3cc(COC)n[nH]3)cn2CC1	ZINC22_1940197910	388.507	AVPYSWUNBANVMG-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107340
CCCC[C@@H](C)N1CCc2nc(C(=O)NCc3cc(COC)n[nH]3)cn2CC1	ZINC22_1940197911	388.507	AVPYSWUNBANVMG-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107341
C[C@H](Sc1nnc(C2CC2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_8395427,ZINC22_7297850,CoCoCo_4175021	388.507	AIXLCBPXGWMOPX-JTQLQIEISA-N	00100000100000000101100000000010000000000000000000000000	31-01-107342
C[C@@H](Sc1nnc(C2CC2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_8395428,CoCoCo_4175020,ZINC22_7297851	388.507	AIXLCBPXGWMOPX-SNVBAGLBSA-N	00100000100000000101100000000010000000000000000000000000	31-01-107343
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1cc(oc1C)C)(O)C	PC-id_111661857	388.507	HUOSPDKJZLMCTO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-107344
CCNC(=NCC(c1ccc(o1)C)(O)C)NCCc1nnc2n1CCCCC2	PC-id_111663281	388.507	WDEJTYPRAKVDJR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-107345
CCNC(=NCC(c1ccco1)(O)C)NCCCc1nnc2n1CCCCC2	PC-id_111671988	388.507	CSFHIAYSOCNJFZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-107346
CCNC(=NCCCOCc1ccco1)NCCc1nnc2n1CCCCC2	PC-id_111399327	388.507	NWKYOGUJTIRFAF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-107347
CCOCn1nc(c(c1C)CC(=O)NC(c1nnc2n1CCCCC2)CC)C	EMOLS-id_318981849	388.507	GQROHYAIOXWWKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107348
CN=C(NCCCc1nnc2n1CCCCC2)NCCCOCc1ccco1	PC-id_111400149	388.507	WFGVTCZJFVDUNR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-107349
n12C(CCCCc1nn(CC(C)C)c2=O)C(=O)NCCc1c(C)nn(C)c1C	MCULE-3969127180,EMOLS-id_207869394	388.507	BDSDJIAGHAUHBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107350
N#Cc1c(NC(=O)C(Sc2nnc(o2)C2CC2)C)sc2c1CCCCC2	EMOLS-id_11851581,PC-id_16384143,MCULE-3163269925	388.507	AIXLCBPXGWMOPX-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-107351
N=CC1=C(S)c2c(Oc3ccc(nc3C)NC)sc(c2CCC1)C(=O)N	SCHEMBL18533567	388.507	GYUMEPISJBUDKC-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-107352
O=C(C1CCn2c(CC1)nnc2)N1CCN(CC1)CC(=O)N1CCCCC1C	MCULE-1055188289,EMOLS-id_319979860	388.507	GQELNQJPOCLTIK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107353
O=C(c1cnc2n(c1=O)c(C)c(s2)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110777775	388.507	RJPNHMFRUUYVCG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107354
O=C(CC1CCCC1)NC1CCC(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102162625	388.507	WLUZGHVUPRDXBG-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-107355
O=C(Cn1cnc2c(c1=O)c(C)c(s2)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_98320572	388.507	NXFHSLGHXCDITO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107356
O=C(N1CCC(CC1)CC(=O)N1CCCC1)NCc1nnc2n1CCCCC2	EMOLS-id_98081985	388.507	UNECWIJKOSOTKM-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-107357
O=C(N1CCCC(C1)C(=O)NCC1CC1)NCCc1nnc2n1CCCCC2	EMOLS-id_98086447	388.507	CALUNZJCWZTZLZ-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-107358
O=C(N1CCC(CC1)N1CCCCC1=O)NCCc1nnc2n1CCCCC2	EMOLS-id_100279520	388.507	RXJAHAJUXJCCFE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-107359
O=C(NC1CCCN(C1=O)C1CCCCC1)NCc1nnc2n1CCCCC2	EMOLS-id_97689640	388.507	ZMOXWYPUHANIHS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-107360
O=C(Nc1sc2c(n1)CCCCCC2)CCn1cnc2c(c1=O)ccs2	EMOLS-id_98550995	388.507	KOFWBZJSKTVBKB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107361
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1nc2sccn2c1	PC-id_25443876	388.507	DWOXJMYFBVCFPG-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-107362
s1c2CCCCCCc2nc1NC(=O)CCc1onc(n1)c1ccsc1	PC-id_56021980	388.507	ZGHDJIUQGPJCFP-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-107363
s1c2CCCCCCc2nc1NC(=O)CCc1onc(n1)c1sccc1	PC-id_56020959	388.507	BOHOMGBRMHZSKC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-107364
Cc1ccc(cc1)CN=C(Nc1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111031938	388.509	BWNPJVNZTQXLTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107365
CCc1nnc2ccc(SCC(=O)Nc3nc4CCCCCc4s3)nn12	EMOLS-id_323430282,MCULE-7606094648	388.51	ZYSULOGFSUIQSM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107366
C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4239600,PC-id_9439234,ZINC22_8313820	388.51	MJYMUAMEWUGKNK-JTQLQIEISA-N	00100000100000000101100000000010000000000000000000000000	31-01-107367
C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_9439236,ZINC22_8313822,CoCoCo_4239601	388.51	MJYMUAMEWUGKNK-SNVBAGLBSA-N	00100000100000000101100000000010000000000000000000000000	31-01-107368
CCNC(=NCC(c1cnn(c1)C)(O)C)NCCc1nnc2n1CCCCC2	PC-id_111655696	388.51	CKLFMQLGOLQWDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107369
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C[C@H]1CCc2c(sc(NC(=O)c3cc4c(s3)CCCCC4)c2C(=O)N)C1	ZINC22_6938697,PC-id_8118489,CoCoCo_3218951	388.547	YIUUSHFAWGBNJB-NSHDSACASA-N	00000000100010000100000000010010000000000000000000000000	31-01-107453
s1c2CCCCCc2cc1C(=O)N(CC(=O)Nc1c(SC)cccc1)C	PC-id_9426306	388.547	HAEWDJBPVSUIMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107454
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(SC(C)C)cc1)C(=O)N	PC-id_41147481	388.547	LLTZILMEDDBZFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107455
s1c2c(CCCCC2)c(c1NC(=O)c1cc(SC(C)C)ccc1)C(=O)N	PC-id_41146882	388.547	AABYFLJIAJMJSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107456
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(SCC)cc1)C(=O)N	PC-id_41139444	388.547	MAVURLVMZIYLLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107457
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccccc1)C(=O)N	PC-id_41085845	388.547	YSDBBXFOUSRTOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107458
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(c(cc1)C)C)C(=O)OC	PC-id_19687185	388.547	GMVSDBMXUBKUNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107459
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(c(ccc1)C)C)C(=O)OC	PC-id_20410203	388.547	GQWCDRXFSXZRNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107460
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc(cc1)C)C)C(=O)OC	PC-id_20410258	388.547	HALZTGYHXQXKTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107461
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C)C)C(=O)OC	PC-id_20410305	388.547	ILRUCMWQZNSGJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107462
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C)C)C(=O)OC	PC-id_20410350	388.547	IAESKRKDOUSDTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107463
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cccc1C)C)C(=O)OC	PC-id_20410418	388.547	SUSLXUNFDCVJFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107464
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C)C(=O)OCC	PC-id_12344346	388.547	AFRPOGGLTULUCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107465
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1)C)C(=O)OCC	PC-id_12344347	388.547	SOEJKXZGRFMHSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107466
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cccc1)C)C(=O)OCC	PC-id_20410160	388.547	KDRRUTPVQARSBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107467
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(CC)cccc1)C(=O)OC	PC-id_20410709	388.547	AGQZDJBEIKTEFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107468
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(CC)ccc1)C(=O)OC	PC-id_20410752	388.547	CAVZNUHQVBOVSW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107469
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(CC)cc1)C(=O)OC	PC-id_20410802	388.547	LYPBXJKDEWTCCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107470
s1c2c(CCCCC2)c(c1NC(=S)NCc1ccc(cc1)C)C(=O)OC	PC-id_19649325	388.547	BPZALKLGROMSGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107471
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccccc1)C)C(=O)OC	PC-id_19649796	388.547	HPOLTGNRXNXUFD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107472
s1c2c(CCCCC2)c(c1NC(=S)NCCc1ccccc1)C(=O)OC	PC-id_19649904	388.547	XRJXVWZATLXYRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107473
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)c1sccc1	PC-id_9476696	388.547	SUXHBKSBSOBTSC-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-107474
s1c2CCCCCCc2cc1C(=O)Nc1ccc(SC(=O)N(C)C)cc1	PC-id_56533214	388.547	NGGDFJGUOBNUOU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107475
s1c2CCCCCCc2cc1C(=O)Nc1c(SC(=O)N(C)C)cccc1	PC-id_56453246	388.547	QZKRPLYCXVDCNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107476
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C)C(=O)OC	PC-id_20410077	388.547	PHYPJLAGYKMKCV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107477
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1)C)C(=O)OC	PC-id_20410115	388.547	RIMQFFSJQWATGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107478
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cccc1)C)C(=O)OC	PC-id_20410156	388.547	LHEYILWNYKEDAK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107479
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccccc1)C(=O)OCC	PC-id_20408723	388.547	ITSXERFKJVEGNP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107480
s1c2c(CCCCCC2)c(c1NC(=S)NCc1ccccc1)C(=O)OC	PC-id_19649300	388.547	LUKUKEWGFHWQQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107481
CCCC1C=CC=c2c(=C1)ccn2Cc1ccc(cc1)C(=NC1CCNCC1)N	PC-id_145324377	388.548	XELRWXCYGPJAKV-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-107482
CC(C)Cc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1	MCULE-1468983296,ZINC22_19839982,PC-id_28394002,EMOLS-id_20441277,CoCoCo_1188434,CoCoCo_1188433	388.548	IYEFCKVELCOQCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107483
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CCC(c1nnc2n1CCCCC2)NC(=O)N1CCCCC1C1CCCNC1	EMOLS-id_101937567	388.55	WJSNFBMFLMOHDJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-107485
CCC(c1nnc2n1CCCCC2)NC(=O)N1CCC(CC1)C1NCC1(C)C	EMOLS-id_101937561	388.55	NKQLXEXATCEHIJ-UHFFFAOYSA-N	00001000100010000101100000000010000000000000000000000000	31-01-107486
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CCN(CC1)C1CCCC1	EMOLS-id_100565884	388.55	QBFPNACULWNTIL-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-107487
CC(C(c1nnc2n1CCNCC2)NC(=O)C1(CCCCC1)N1CCCC1)C	EMOLS-id_36425892,MCULE-6338043054,PC-id_56703329	388.55	HHYJZDVINQQDSI-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-107488
CC([C@@H](c1nnc2n1CCNCC2)NC(=O)C1(CCCCC1)N1CCCC1)C	PC-id_95193193	388.55	HHYJZDVINQQDSI-SFHVURJKSA-N	00000010100010000101100000000010000000000000000000000000	31-01-107489
CC([C@H](c1nnc2n1CCNCC2)NC(=O)C1(CCCCC1)N1CCCC1)C	PC-id_95193194	388.55	HHYJZDVINQQDSI-GOSISDBHSA-N	00000010100010000101100000000010000000000000000000000000	31-01-107490
CCNC(=NCCCc1nnc2n1CCCCC2)NC1C2CCOC2C1(C)C	PC-id_112086197	388.55	BYYDANSWHLHIRK-UHFFFAOYSA-N	00001010100000000101001000000010000000000000000000000000	31-01-107491
CN(Cc1nnc2n1CCCCC2)C(=O)c1ccc(C2SCCS2)cc1	CoCoCo_4524784,MCULE-4893044131,PC-id_17438811,ZINC22_14084089,EMOLS-id_13450593	388.55	SZOMACSYFICVLG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-107492
N#Cc1c(NC(=O)C(N(Cc2cnc(s2)C)C)C)sc2c1CCCCC2	EMOLS-id_98056163	388.55	ZMILENWMXAVHLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107493
N#Cc1c(NC(=O)CNC(c2ncc(s2)C)(C)C)sc2c1CCCCC2	EMOLS-id_99480439	388.55	CUDLRMGGWCFYAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107494
N#Cc1c(NC(=O)CNC(c2scc(n2)C)(C)C)sc2c1CCCCC2	EMOLS-id_99375496	388.55	RHCPPJSKWCZQMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107495
N#Cc1c(NC(=O)C(N(Cc2scnc2C)C)C)sc2c1CCCCC2	EMOLS-id_98799866	388.55	QKEYJFVDIWVXOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107496
O=C(N1CCC(CC1)Sc1ccccn1)Nc1nc2c(s1)CCCCC2	PC-id_100908268	388.55	DBDQPWVSACPXJI-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-107497
O=C(N1CCCN(CC1)CC1CCCCC1)NCc1nnc2n1CCCCC2	EMOLS-id_98082072	388.55	YJDWITIEQDRMIH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107498
O=C(NCc1nnc2n1CCCCC2)c1ccc(C2SCCCS2)cc1	ZINC22_40012922,MCULE-8497082712,PC-id_45859664,EMOLS-id_30238393	388.55	IISHGYAIIJOTGD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107499
O=C(NCCc1nnc2n1CCCCC2)N1CCN(CC2CCCCC2)CC1	MCULE-2369590226,ZINC22_65445064,EMOLS-id_189746300	388.55	MGKWIGAYUPPNEP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107500
S=c1n2CCCCCc2nn1C[NH+](Cc1ccc(N2CCOCC2)cc1)C	PC-id_8413208	388.55	FCSGLYIZMZZVOY-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-107501
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)c1c(OCC)cccc1	PC-id_8145212	388.55	DGJJMCNADXQOIN-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-107502
CC1CCCN(C1)C(=O)C1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	PC-id_86981697	388.567	HMJRPPNWIUDBEZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-107503
COc1ccc(CNc2nc3CCCCCCCCCCc3s2)cc1OC	MCULE-6427243387,PC-id_56923554,EMOLS-id_43012442,ZINC22_72334067	388.567	NROQEIOUTKDKPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107504
O=C(CC1CCCC1)N1CCCN(C(=O)c2cc3c(s2)CCCCC3)CC1	EMOLS-id_44526754,MCULE-6513683271,ZINC22_84338875,PC-id_71897551	388.567	VGZKWHBZTHERJQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-107505
O=C(N1CCCC1)CC[C@H]1CCCN(C1)C(=O)c1cc2c(s1)CCCCC2	CoCoCo_1339583	388.567	HOMVEPZLINGCCX-QGZVFWFLSA-N	00000010100010000100000000000010000000000000000000000000	31-01-107506
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s1c2c(CCCCC2)cc1C(=O)NC1CCN(CC1)C(=O)C1CCCCC1	PC-id_55690908	388.567	SMDWVHMATPDDQH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-107508
s1c(C(=O)N2CC(CCC2)CCC(=O)N2CCCC2)cc2c1CCCCC2	PC-id_45204269	388.567	HOMVEPZLINGCCX-UHFFFAOYSA-N	00000010100010000100000000000010000000000000000000000000	31-01-107509
s1c(C(=O)N2CCC(CC2)C(=O)N2CCCCC2)cc2c1CCCCCC2	PC-id_51152692	388.567	JJSDLUGFFKOATG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-107510
s1c(C(=O)N2CCC(CC2)C(=O)N2CCCCCC2)cc2c1CCCCC2	PC-id_8134537	388.567	AMAZUDNTWIRKMN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-107511
CCN1CCC(CC1C)N(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C	EMOLS-id_99581543	388.57	RQLDIPINUWNBCD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-107512
CCN1CCC(CC1)N(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C	EMOLS-id_99564874	388.57	JLPLEFDGQCRPSJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-107513
CCN1CCCCc2cc(sc12)C(=O)N(C)CCc1c(C)nn(CC)c1C	EMOLS-id_97015704,MCULE-2112566412	388.57	IRJBMFSUDDYLRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107514
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s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+](Cc1sccc1C)C)C)C#N	PC-id_9450181	388.57	MGKBYKXGEIKNOD-AWEZNQCLSA-O	00000000100100000100000000000010000000000000000000000000	31-01-107517
s1c2c(CCCCC2)c(c1NC(=O)C([NH+](Cc1sccc1C)C)C)C#N	PC-id_85013213	388.57	MGKBYKXGEIKNOD-UHFFFAOYSA-O	00000000100100000100000000000010000000000000000000000000	31-01-107518
CCNC(=NCc1ccc(s1)CC)NCCCc1nnc2n1CCCCC2	PC-id_111957191	388.573	DEVFSWLVZDDHMT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107519
CCNC(=NCC(c1cccs1)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111581766	388.573	KABIDCUISYFGSG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107520
CCNC(=NCC(c1cccs1)C)NCCCc1nnc2n1CCCCC2	PC-id_112072004	388.573	FPOOJQYCEJABQD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107521
CCNC(=NCC(c1ccsc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111703844	388.573	WZIMDIVMIXOMIF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107522
CCNC(=NCCc1nnc2n1CCCCC2)NC(Cc1ccc(s1)C)C	PC-id_109512821	388.573	IYGQHWMTWPDIDI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107523
CCNC(=NCC(Cc1cccs1)C)NCCc1nnc2n1CCCCC2	PC-id_111673184	388.573	VPKGWXKHQOIMPG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107524
CCNC(=NCCCc1nnc2n1CCCCC2)N(CCc1cccs1)C	PC-id_109548424	388.573	CXQFWCDGHVTQAX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107525
CN=C(NC(Cc1ccc(s1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_109513299	388.573	VTIVHHKKDRAXCP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107526
CN=C(NCC(c1cccs1)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111582524	388.573	FPIMWRJTBYUPTO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107527
CN=C(NCC(Cc1cccs1)C)NCCCc1nnc2n1CCCCC2	PC-id_111673944	388.573	KMCMKIGRTSDYNC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107528
CCCC1CCC(CC1)NC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_112078315	388.593	UKCNQANYEHXIOP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107530
CCNC(=NCC1(CCC1)CC(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109683265	388.593	KRWGMUGDOPBNDS-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-107531
CCNC(=NCC1(CCCC1)CC(C)C)NCCc1nnc2n1CCCCC2	PC-id_109591925	388.593	COWHVSXBFIFJKE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-107532
CCNC(=NCCc1nnc2n1CCCCC2)NC(CCC1CCCCC1)C	PC-id_109482745	388.593	FZVLQKVIAHRQCT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107533
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)C(CC)CC	PC-id_111744071	388.593	GDSYWTOLJSGWDV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-107534
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCCC(C1)(C)CCC	PC-id_109490350	388.593	OYASGFOAIOVKPC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107535
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCC(CC1)C(C)C	PC-id_109841318	388.593	DJNYSYNLCLQALZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107536
CCNC(=NCCCc1nnc2n1CCCCC2)NCCC1CCCC(C1)C	PC-id_111558077	388.593	GHDYEALIPGXEEB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107537
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCC1CCCCC1	PC-id_111947461	388.593	LXOZQSVCOLBCMS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107538
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCCC1CCCC1	PC-id_111608858	388.593	ZEFPMRGIBVMATO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-107539
CN=C(NCC1(CCCC1)CC(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109592011	388.593	CCPUVGYFAGAFAJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-107540
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Clc1cc(F)c(c(c1)C(=O)NC1CCn2c(CC1)nnn2)Br	EMOLS-id_102176567	388.623	PQOWURRCEMOSEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107544
O=C(c1cc(Cl)c(cc1Br)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102176402	388.623	LATPEKPHWVAYGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107545
O=C(c1cc(Cl)c(cc1F)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102176411	388.623	WJLIQAJCZHGLHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107546
O=C(c1cc(F)c(c(c1)Cl)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102176561	388.623	KTOKCYPYSLUMSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107547
Fc1cc(Br)c(cc1C(c1cc2c(s1)CCCCC2)N)Cl	PC-id_105398572	388.725	YBAYAYWQYBJDSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107548
NC(c1ccc(c(c1F)Cl)Br)c1cc2c(s1)CCCCC2	PC-id_106764598	388.725	OFCHKXJHIDJBKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107549
Clc1c(OC2CCN(Cc3occc23)CC(F)(F)F)ccc(c1)C(=O)N	PC-id_68409912	388.769	IXNKHIKEPOQZAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107550
Clc1ccc(c(c1)OCC(F)(F)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278148435	388.772	BFNSBAOCIHFXBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107551
Clc1c(cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C(F)(F)F	PC-id_55477737	388.772	KYRZLDLATRDEJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107552
C1C(Cn2c(cc(n2)C(=O)NCCc2nc3c([nH]2)cc(cc3)Cl)C(=O)N1)O	PC-id_135102019	388.808	PZQFIZOCFHANKW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107553
Cn1c2c(c(ccc2)Cl)c(n1)CNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135111885	388.808	LFZJTHZTKDKEFC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107554
CN(Cc1cc(ccc1Cl)C(F)(F)F)C1CCc2nn(C)c(=O)n2CC1	MCULE-1153698304,EMOLS-id_97041771	388.815	OMIPJDKIRDOONT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107555
Cc1onc(c1C(=O)N1CCCc2c(C1)cnn2C)c1c(F)cccc1Cl	EMOLS-id_101669281	388.823	PEXUHMHLSUEXHK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107556
Clc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)O)C(=O)c1noc2c1CCCCC2	PC-id_121858048	388.845	VFGHVBAYSRMCGI-JKSUJKDBSA-N	00000010100000110101100000000010000000000000000000000000	31-01-107557
CS(=O)(=O)N(Cc1cccc(F)c1Cl)Cc1nnc2n1CCOCC2	EMOLS-id_320277973,ZINC22_1615552146,MCULE-4136419339	388.845	RJSOWNGNKHPZKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107558
CS(=O)(=O)N(Cc1c(F)cccc1Cl)Cc1nnc2n1CCOCC2	MCULE-6427163360,ZINC22_1615551974,EMOLS-id_316761524	388.845	QKPMTVTVANRGFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107559
O=C1NCCCc2oc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc12	ZINC22_2325782301	388.845	LTMZYDJVCWFOSR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-107560
Clc1c2OCOc2cc(/C=C/C(=O)NCCc2n3CCCCCc3nn2)c1	PC-id_51307490	388.848	RELPYEITXQCJHR-AATRIKPKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-107561
Clc1c2OCOc2cc(C=CC(=O)NCCc2n3CCCCCc3nn2)c1	PC-id_75625043	388.848	RELPYEITXQCJHR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-107562
Clc1ccc(CC(CCCCn2c3c(nc2)NC=NCC3=O)C(=O)O)cc1	PC-id_10762896	388.848	PTGOGYOAGUXRAS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-107563
Clc1ccc(CC(CCCCn2c3NC=NCC(=O)c3nc2)C(=O)O)cc1	PC-id_10500510	388.848	GGMZREFIMTWGPA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-107564
Clc1cc(CC(CCCCn2c3c(nc2)NC=NCC3=O)C(=O)O)ccc1	PC-id_10596463	388.848	QHLJWLDARMLMKN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-107565
Clc1cc(CC(CCCCn2c3NC=NCC(=O)c3nc2)C(=O)O)ccc1	PC-id_10834179	388.848	KDMUPLLHXIZDBK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-107566
Clc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N2CCOCC2)cc1	PC-id_50797849	388.848	IEYQVNANHIGNTQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107567
Clc1ncn(c2c(OC)cc(Nc3nn4CC[C@](O)(CCc4n3)C)cc2)c1	PC-id_70876421,SCHEMBL13285110	388.851	GIVUPLUEQGPXAT-GOSISDBHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107568
Clc1ncn(c2c(OC)cc(Nc3nn4CCC(O)(CCc4n3)C)cc2)c1	PC-id_77943135	388.851	GIVUPLUEQGPXAT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107569
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)O)Nc1c(cc(cc1)C#C)Cl)C	PC-id_87678748,SCHEMBL4498759	388.868	DBVQFAWRLJVTOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107570
Clc1ccc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_41537934	388.868	DPXQFPIQOQKMJY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107571
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc1	PC-id_7506220	388.868	XXZRXJUYFPFRHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107572
Clc1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc1C#N	PC-id_7351968	388.868	HJAGUMCTSAEVDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107573
Clc1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)c(cc1)C#N	PC-id_7352097	388.868	RNWTUFKMNZDORX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107574
Clc1c(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cccc1	PC-id_41783441	388.868	RXDUOHJQOMEXFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107575
O=C(OCc1nnc(c2ccc(Cl)cc2)o1)c1cc2c(s1)CCCCC2	CoCoCo_2861300,PC-id_4857383,MCULE-2458038473,EMOLS-id_3480163,ZINC22_5361757	388.868	ZZRRKWBAYOQSRS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107576
C1CN(CCc2c1nc(o2)C(=O)Nc1ccc(cc1)Cl)Cc1nccs1	PC-id_134806242	388.871	WCSONCINRIVGLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107577
Clc1ccc(s1)C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	MCULE-3678160600,PC-id_91910700,EMOLS-id_50586645	388.871	FSJQWGZMUGVPAV-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-107578
Clc1c(C=CC(=O)Nc2sc3CCCCCCc3c2C#N)c(F)ccc1	PC-id_3659373	388.886	BXOTVTPCLKDBOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107579
Clc1c(/C=C/C(=O)Nc2sc3CCCCCCc3c2C#N)c(F)ccc1	PC-id_5888110	388.886	BXOTVTPCLKDBOW-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107580
Clc1ccc(cc1)C1(CCOCC1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100094544	388.888	BAIKTQCULHIGHS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107581
Clc1cccc(c1)C1(CCOCC1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_100129893	388.888	YKFGIGWELUTUHN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107582
O=C(c1noc2c1CCCCC2)N1CCCC(C1)COc1ccccc1Cl	EMOLS-id_100986298	388.888	XBKRJMJPJCHPIQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107583
O=C(c1noc2c1CCCCC2)NCC1(CCOCC1)c1ccccc1Cl	EMOLS-id_100962756	388.888	BZGJPEZCUYYSHE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107584
c12CN(CCCn1nc(CCC(=O)NC(C)C)c2)C(=O)c1cccc(Cl)c1	ZINC22_91452624,MCULE-2646479562,PC-id_72860600,EMOLS-id_46041603	388.891	HVRYVJRCTJOEDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107585
CC(CCNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccc(cc1)Cl)C	CoCoCo_2544620,PC-id_20964786	388.891	JMPIDKUGHQXRTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107586
C[C@@H]1C[C@H]1[C@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1ccc(Cl)cc1	PC-id_99811479,ZINC22_170640574	388.891	AEVLHFKWGHQRGH-VVFCZOMOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-107587
C[C@@H]1C[C@@H]1[C@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1ccc(Cl)cc1	ZINC22_170640570,PC-id_99811476	388.891	AEVLHFKWGHQRGH-ACWOFJMJSA-N	00100000100000110101000000000010000000000000000000000000	31-01-107588
C[C@@H]1C[C@@H]1[C@@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1ccc(Cl)cc1	ZINC22_230218807,PC-id_100907740	388.891	AEVLHFKWGHQRGH-AZOIQLNYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-107589
C[C@@H]1C[C@H]1[C@@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1ccc(Cl)cc1	ZINC22_230218811,PC-id_100907741	388.891	AEVLHFKWGHQRGH-NRXGSXMXSA-N	00100000100000110101000000000010000000000000000000000000	31-01-107590
Clc1ccc(C2(C(=O)NCc3n4c(CCCCC4)nn3)CCOCC2)cc1	SYN-22968913,PC-id_46978038,CoCoCo_507750,MCULE-8537011900,EMOLS-id_30451121,ZINC22_19659891	388.891	ZVQPIMASACUPMI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107591
Clc1cccc(c1)C1(CCOCC1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316619371	388.891	JXGGFFWBALKSAO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107592
Clc1ccc(cc1)C1(CCOCC1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319229278	388.891	PJFRHAJFFVGMDV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107593
Clc1cccc(c1)C1(CCOCC1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_318184152	388.891	DSOXJJAKKXELEU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107594
Clc1ccc(cc1)C(C1CC1C)NC(=O)Cn1nc2n(c1=O)CCCCC2	MCULE-4909799188,EMOLS-id_50327123,PC-id_102558264	388.891	AEVLHFKWGHQRGH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-107595
Clc1ccc(C(N(C2CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)C)cc1	PC-id_55594440	388.891	RZHDMUDLNGXKHB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-107596
COCCN(NC(=O)c1[nH]nc2c1CCCC/C/2=Cc1ccc(cc1)Cl)C	PC-id_145479837	388.891	FSLAKNDIPZEKDU-FYWRMAATSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107597
O=C(N1CCCc2c(C1)cnn2C)c1cnc(c(c1)Cl)OC1CCCCC1	EMOLS-id_101678339	388.891	YXVWNBXZWMXDLH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-107598
O=C(NCc1nnc2n1CCCCC2)C1(c2ccccc2Cl)CCOCC1	EMOLS-id_320329937,PC-id_145884990,MCULE-4513691490,ZINC22_107211920	388.891	KDKFKAXGVMMOQZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107599
Clc1ccc(s1)S(=O)(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-4135571054,PC-id_91922477,EMOLS-id_50585739	388.893	GCGDYATUYMYWIT-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-107600
CS(=O)(=O)N1CCCn2nc(CNC(=O)c3ccc(Cl)s3)cc2C1	MCULE-1855585854,EMOLS-id_46094731,PC-id_72933688,ZINC22_92037848	388.893	YMDHXULHNZAPJI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107601
Clc1ccc(cc1)C1CCCCCN1C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102163384	388.894	YJNQMJWWFIVPKA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107602
Clc1ccc(cc1)C1(C)CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168985	388.894	FKGNBDKQGDKRAY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107603
Clc1cccc(c1)C1(C)CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102169021	388.894	FBOPMTFYIWXMMS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107604
Clc1cc(NC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1	PC-id_51307306	388.894	YMTVEEKJDOEMIL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107605
Clc1c(N2CCN(CC2)C(=O)NCc2n3CCCCCc3nn2)cccc1	PC-id_60431660	388.894	VNBFGFYUSYZQBN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107606
Clc1c(NC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cccc1	PC-id_51307312	388.894	XTAJCTYMMRZDSV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107607
O=C(NC1CCn2c(CC1)nnn2)NC1CCCC(C1)c1cccc(c1)Cl	EMOLS-id_102158698	388.894	OTDVKHRHEDLWRK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107608
O=C(NC1CCn2c(CC1)nnn2)NC1CCCC(C1)c1ccc(cc1)Cl	EMOLS-id_102183018	388.894	BHHRLVMUGYXHSH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107609
Clc1cc(C2=CCN(CCCc3onc4c3CCCCC4)CC2)ccc1F	SCHEMBL7949114,PC-id_59939393	388.906	IHGJDZYZAJGNFV-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-107610
Clc1ccc(c(c1)F)C1=CCN(CC1)CCCc1onc2c1CCCCC2	PC-id_59939418,SCHEMBL7960022	388.906	PWKIRRHWTKLBDH-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-107611
Clc1c(F)cc(C2=CCN(CCCc3onc4c3CCCCC4)CC2)cc1	SCHEMBL7959607,PC-id_59939406	388.906	KQGLGXJJORQESE-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-107612
Clc1cc(C2=CCN(CCCc3n4CCCCCc4nn3)CC2)ccc1F	PC-id_59939387,SCHEMBL7949425	388.909	DBKUWSBKNGDULR-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-107613
Clc1ccc(c(c1)F)C1=CCN(CC1)CCCc1nnc2n1CCCCC2	SCHEMBL7960974,PC-id_59939398	388.909	FYSWWPMMBSMNHT-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-107614
Clc1c(F)cc(C2=CCN(CCCc3n4CCCCCc4nn3)CC2)cc1	SCHEMBL7959347,PC-id_59939382	388.909	WKWHJJXQBHVKJQ-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-107615
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCCCCC2)c1C(=O)N	MCULE-4720734527,PC-id_1001247	388.911	YPUMJSFWUGEOFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107616
c1(NC(=O)C=Cc2cccc(Cl)c2)sc2c(CCCCCC2)c1C(=O)N	PC-id_1220919,MCULE-6275685514	388.911	BMUIBUTWXWSWHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107617
c1(NC(=O)C(C)Oc2ccc(cc2C)Cl)sc2c(CCCCC2)c1C#N	MCULE-8391843537,EMOLS-id_2758071,PC-id_3694695	388.911	OZAGHDQOTXPWIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107618
c1(NC(=O)COc2ccc(cc2C)Cl)sc2c(CCCCCC2)c1C#N	SPECS-id_AK-968/12116627,CoCoCo_5817452,EMOLS-id_1133405,PC-id_3548413,ZINC22_2741442,TIMTEC349034,MCULE-7182606811	388.911	OBBDWTDICWQVSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107619
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_7026992,ZINC22_2740050,CoCoCo_6709553	388.911	OZAGHDQOTXPWIM-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107620
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_2740051,CoCoCo_6709554,PC-id_7026993	388.911	OZAGHDQOTXPWIM-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107621
Clc1c(C2C(C2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cccc1	PC-id_55478785	388.911	AUUUREVZIWFONG-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-107622
Clc1c(C2C(C2)C(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_55473837	388.911	NZGXJOSNEWVCCX-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-107623
Clc1cccc(c1)/C=CC(=O)Nc1sc2c(c1C(=O)N)CCCCCC2	CoCoCo_895046	388.911	BMUIBUTWXWSWHR-KHPPLWFESA-N	00000000100000110100000000000010000000000000000000000000	31-01-107624
Clc1ccc(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)cc1	PC-id_4519118	388.911	QPNVZJWGJBZHJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107625
Clc1ccc(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)cc1	PC-id_6138727	388.911	QPNVZJWGJBZHJU-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107626
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)cccc1	PC-id_7475085	388.911	LGHLTHJRNHILSG-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107627
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)cccc1	PC-id_78487963	388.911	LGHLTHJRNHILSG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107628
Clc1cc(OC(C(=O)Nc2sc3CCCCCCc3c2C#N)C)ccc1	PC-id_3366556	388.911	IHHUXDWFDWXOQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107629
NC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCCCC2	CoCoCo_902942,SPECS-id_AK-968/41926285,EMOLS-id_25951048,PC-id_1001248,ZINC22_656860,TIMTEC577398	388.911	YPUMJSFWUGEOFL-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107630
NC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2c1CCCCCC2	EMOLS-id_25948726,PC-id_1220920,CoCoCo_895045,SPECS-id_AK-968/12101062,TIMTEC79935,ZINC22_996128	388.911	BMUIBUTWXWSWHR-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107631
O=C(Nc1sc2c(c1C(=O)N)CCCCCC2)/C=Cc1ccccc1Cl	CoCoCo_902943	388.911	YPUMJSFWUGEOFL-QXMHVHEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107632
CN1CCc2c(CC1)cc(s2)C(=O)NC(c1nc2c([nH]1)cc(cc2)Cl)C	PC-id_145508645	388.914	RNWCKHGZRMWDTO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107633
NCC(c1ccccc1)NC(=O)c1sc2c(c1)/C(=C(/C=N)Cl)/NCCC2	SCHEMBL19736900	388.914	VDFARMKKPIZAOQ-SSCQIFCMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107634
NC[C@H](c1ccccc1)NC(=O)c1sc2c(c1)/C(=C(/C=N)Cl)/NCCC2	SCHEMBL19737121	388.914	VDFARMKKPIZAOQ-SFEKUHHQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107635
CCC(C1CCCCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)C)C(=O)O	SCHEMBL2510174,PC-id_67434184	388.931	FSEIOFWSBZUUIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107636
CCOC(=O)CC1CCCCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)C	PC-id_58460173,SCHEMBL12199243	388.931	VJEIWHVTUHZXDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107637
Clc1c(C2(O)CCN(CC2)CCCc2n3CCCCCc3nn2)cccc1	SCHEMBL7957105,PC-id_59939436	388.934	PTOKMZUXLUHZEL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107638
Clc1cc(C2(O)CCN(CC2)CCCc2n3CCCCCc3nn2)ccc1	SCHEMBL7959714,PC-id_59939383	388.934	SCRHAQSFEPXBSY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107639
Clc1ccc(c2nc(sc2)NC(=O)c2sc3CCCCCc3c2)cc1	PC-id_7923635	388.934	MEIVETAWCMGFDQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107640
Clc1ccc(C2(O)CCN(CC2)CCCc2n3CCCCCc3nn2)cc1	SCHEMBL7959708,PC-id_15523637	388.934	KNQGGZDYHPXCIN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107641
CCNC(=NCc1ccc(cc1)Cl)NCCCc1nnc2n1CCCCC2	PC-id_111132061	388.937	VDZKEMRLVDAOFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107642
CCNC(=NCc1ccccc1Cl)NCCCc1nnc2n1CCCCC2	PC-id_111175307	388.937	LEMZBUNKNBWPMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107643
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc(cc1)Cl	PC-id_111197254	388.937	TWRXQFUUWDURPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107644
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1cccc(c1)Cl	PC-id_111358092	388.937	ILBOOOMNYRXYBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107645
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccccc1Cl	PC-id_111882227	388.937	MHLDHBLQAXUCBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107646
CN=C(N(Cc1ccc(cc1)Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111294253	388.937	NCEFKXQZJCSEGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107647
CN=C(N(Cc1ccccc1Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111295131	388.937	DUEJDUDYQRJGAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107648
CN=C(N(Cc1cccc(c1)Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111305967	388.937	WXNQRCXVGHBLCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107649
CN=C(NC(c1ccccc1Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111319536	388.937	BQAFOMFYFJOHSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107650
CN=C(NC(c1cccc(c1)Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111319678	388.937	CHOHVPLVKBEHEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107651
CN=C(NC(c1ccc(cc1)Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111319866	388.937	BXJRUIZYEGJWOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107652
CN=C(NCCc1ccc(cc1)Cl)NCCCc1nnc2n1CCCCC2	PC-id_111197352	388.937	GSJBFGIQOBWIHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107653
CN=C(NCCc1cccc(c1)Cl)NCCCc1nnc2n1CCCCC2	PC-id_111358662	388.937	BDEOXIBKXMCOHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107654
CN=C(NCCc1ccccc1Cl)NCCCc1nnc2n1CCCCC2	PC-id_111882511	388.937	PGZBDIHRSBWRGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107655
c1(csc2CCCCCc12)C(=O)N1CCN(CC1)c1c(C)ccc(Cl)c1	EMOLS-id_16062909,CoCoCo_2171629,MCULE-6715626715,PC-id_20881896	388.954	QRUWPRYTRWCACK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107656
Clc1ccc(C2=CCN(CCCc3n4CCSCCc4nn3)CC2)cc1	PC-id_59939450,SCHEMBL8571894	388.957	NWGPXVJSTRARPC-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-107657
Brc1c2C(Nc3[nH]ccn3)CCNC(=O)c2[nH]c1Br	PC-id_21253741,SCHEMBL7151537	389.046	TWPVRLAPAVJFEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107658
[B]c1cc(cc(c1OC)Br)CC1c2c(CCNC1=O)[nH]c(n2)NC	PC-id_88170909	389.055	GVEKUQBQBBYQLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107659
CC(C(=O)NC1=C(C2=C(O1)CCC2)C(=O)N)SC3=NN=C4N3CCCCC4	PC-id_155097768	389.152	GLXOFGDGFRZNQD-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-107660
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CN(N=C4CC3)CC5=CC=CC=N5	PC-id_154685776	389.167	MERVIJYNUWQFFN-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-107661
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CN=CN3	PC-id_155203737	389.206	ALCPLJOZLBOOLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107662
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)C3=CN(N=C3)C	PC-id_155203861	389.206	RYYIXXKOGGSROV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107663
Ic1c(=O)[nH]cnc1Sc1nnc2n1CCCCC2	PC-id_114791012	389.215	APZAPODTIVIDHT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-107664
O=C(NCC(F)(F)c1ccc(Cl)c(Cl)c1)N1CCCc2occc2C1	ZINC22_2325825609	389.224	WTQDMNHWRVYLBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107665
O=C1C(I)CCn2c(N1C)cc(n2)CC1CCOCC1	SCHEMBL18367457	389.232	MKHMDAUOSXMYKH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107666
C=CC(=O)Nc1cccc(C(=O)N2CCCc3oc(Br)cc3C2)c1	ZINC22_1875372161	389.243	YEAGKXFDWNAPLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107667
C=CC(=O)Nc1ccc(C(=O)N2CCCc3oc(Br)cc3C2)cc1	ZINC22_1875371206	389.243	STCZKZVGCHAIOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107668
Brc1c2-c(nc(n2)NC)c(Cc2ccc(OC)cc2)c(=O)n(c1)C	PC-id_25215340	389.246	IKOHIAQCUMYGMO-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-107669
Brc1ccc2c(c1)c(no2)CC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_102132028	389.246	VUUPQOHQKOEYHQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107670
Brc1c(C=C(c2n3CCCCCc3nn2)C#N)cc(O)c(OC)c1	PC-id_78650345	389.246	DTCUVSHDRLCSHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107671
Brc1c(/C=C(/c2n3CCCCCc3nn2)C#N)cc(O)c(OC)c1	PC-id_8275402	389.246	DTCUVSHDRLCSHJ-KPKJPENVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107672
BrC1=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=C(OC)C1=O	PC-id_16239654	389.246	STRJDWCRTKMISN-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-107673
BrC1=C/C(=C/C(=C/2N3CCCCCC3=NN2)/C#N)/C=C(OC)C1=O	PC-id_42911390	389.246	STRJDWCRTKMISN-AYWUYTOOSA-N	00000011000011000111000000000010000000000000000000000000	31-01-107674
BrC1=C/C(=C/C(=C/N3CCCCCC3=NN2)/C#N)/C=C(OC)C1=O	PC-id_5830386	389.246	STRJDWCRTKMISN-HZYODZECSA-N	00000011000011000111000000000010000000000000000000000000	31-01-107675
Brc1cc(C(=O)C(c2n3CCCCCc3nn2)C#N)ccc1OC	EMOLS-id_30034771,MCULE-2117803559,PC-id_45884979	389.246	DAGLTZAXXAVUOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107676
Brc1ccc(OC/C(=C(/c2n3c(nn2)CCCCC3)C#N)/O)cc1	CHEMBL1385741,CoCoCo_3729802,PC-id_135439917	389.246	UTTARXGTGHSKAE-PFONDFGASA-N	00000000100000110101000000000010000000000000000000000000	31-01-107677
Brc1ccc(OCC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)cc1	PC-id_6515686	389.246	AOAYIIHRSVORLH-SAPNQHFASA-N	00000011000000110111000000000010000000000000000000000000	31-01-107678
Brc1ccc(OCC(=O)C(=C2N3CCCCCC3=NN2)C#N)cc1	PC-id_6796669	389.246	AOAYIIHRSVORLH-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-107679
Brc1ccc(OCC(=O)C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_7722102	389.246	BGOUUBZRRRFJDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107680
BrC1=CC(=O)C(=CC1=CC(=C1N2CCCCCC2=NN1)C#N)OC	PC-id_60593924	389.246	LHSCGKQRGPPDSI-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-107681
COc1c(c(cc(c1)/C=C(C#N)/c1nnc2n1CCCCC2)Br)O	CoCoCo_3456357,PC-id_135676170	389.246	KIYPSISFEAXFRB-KPKJPENVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107682
COc1c(cc(c(c1)C=C(C#N)c1nnc2n1CCCCC2)Br)O	EMOLS-id_301140203,PC-id_136292986,MCULE-7420008669	389.246	VHHMYNFUTMBTQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107683
COc1c(cc(c(c1)/C=C(/C#N)c1nnc2n1CCCCC2)Br)O	PC-id_136064132	389.246	VHHMYNFUTMBTQH-GHXNOFRVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107684
COc1c(cc(c(c1)/C=C(C#N)/c1nnc2n1CCCCC2)Br)O	PC-id_136902581	389.246	VHHMYNFUTMBTQH-KPKJPENVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107685
COc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1Br	PC-id_51942000,ZINC22_40089601,CoCoCo_4865263	389.246	DAGLTZAXXAVUOW-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107686
COc1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1Br	ZINC22_40089602,PC-id_51942001,CoCoCo_4865262	389.246	DAGLTZAXXAVUOW-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107687
N#C/C(=C/c1cc(Br)c(c(c1)OC)O)/c1nnc2n1CCCCC2	CoCoCo_3456358	389.246	KIYPSISFEAXFRB-GHXNOFRVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107688
N#CC(=Cc1cc(Br)c(c(c1)OC)O)c1nnc2n1CCCCC2	EMOLS-id_26092875,MCULE-3083915750	389.246	KIYPSISFEAXFRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107689
N#C/C(=C(/COc1ccc(cc1)Br)O)/c1nnc2n1CCCCC2	CoCoCo_3729803	389.246	UTTARXGTGHSKAE-CCEZHUSRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107690
N#CC(=C(COc1ccc(cc1)Br)O)c1nnc2n1CCCCC2	EMOLS-id_26166424,MCULE-6940559687	389.246	UTTARXGTGHSKAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107691
N#C[C@@H](C(=O)COc1ccc(Br)cc1)c1nnc2n1CCCCC2	ZINC22_3181089,PC-id_2315388,CoCoCo_3729805	389.246	BGOUUBZRRRFJDV-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107692
N#C[C@H](C(=O)COc1ccc(Br)cc1)c1nnc2n1CCCCC2	ZINC22_35448654,PC-id_6596218,CoCoCo_3729804	389.246	BGOUUBZRRRFJDV-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107693
Cc1cc(Br)c2c(c1)c(n[nH]2)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316570303	389.25	NQFMUZGTYQFHKB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107694
C1CCCCc2c(CCCC1)[nH]c(c2)C(=O)OCCI	PC-id_134335254,SCHEMBL19958567	389.272	LOESMOMXQNQJAY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-107695
C1CCC2=C(CC1)NN=C2CNC(=O)[C@@H]3CC[C@@H](CN(C3)C4CCOCC4)N	PC-id_165422295	389.279	DYQCDINACOWKHP-CVEARBPZSA-N	00000000100010000101100000000010000000000000000000000000	31-01-107696
BrCCCCn1c2c(C(=O)CCN(C2=O)Cc2ccccc2)cc1	SCHEMBL6988025,PC-id_15229175	389.286	CSWQXXHQRSTVBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107697
OCCc1c(CCc2ccc(cn2)OC)[nH]c2=CC(=CCC=c12)Br	PC-id_145305250	389.286	ZDFFLRGLICNKHB-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-107698
BrC1=CCC=c2c(=C1)cc([nH]2)C(=O)NC1(CC1)C1=CN(N(C1)C)C	PC-id_144935698	389.29	CEHZKCYDSFBPOL-UHFFFAOYSA-N	00100011100000000111100000000010000000000000000000000000	31-01-107699
Brc1ccc(cc1)C1(CC1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_318374724	389.29	VMTWNJLPTMSYAR-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-107700
Brc1ccc(cc1)C1(CCC1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278115419	389.29	HAFRYCBICYCZFF-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-107701
Brc1ccc(cc1)[C@@H]1C[C@H]1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101711960	389.29	HPIDKOXLQBDVFE-JKSUJKDBSA-N	00100000100000110101100000000010000000000000000000000000	31-01-107702
Brc1cccc(c1)CN(C(=O)C1CCn2c(CC1)nnc2)C1CC1	EMOLS-id_318978629	389.29	WGXORDHPUBJSKE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-107703
C#CCOc1ccc(cc1CNCc1nnc2n1CCCCC2)Br	PC-id_121844145	389.29	HBXJKQGLFDOCOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107704
O=C(C1CCn2c(CC1)nnc2)NCC1(CC1)c1ccccc1Br	MCULE-3114328231,EMOLS-id_319960755	389.29	GEYQYMNNWKAERY-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-107705
O=C(N1CCCc2c(C1)cnn2C)Nc1cc2CCCc2cc1Br	EMOLS-id_101867601	389.29	TUFIUUMRPCKGEA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-107706
O=C(NCc1nnc2n1CCCCC2)C1(c2ccccc2Br)CC1	MCULE-7563250691,EMOLS-id_320371763,ZINC22_190147171,PC-id_139006953	389.29	PSIOSETZCJIHNB-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-107707
Brc1ccc(cc1)C(=O)Nc1sc2CCCCCCc2c1C#N	CoCoCo_5824370,PC-id_3595229,SPECS-id_AK-968/15253349,MCULE-9922516396,EMOLS-id_4067070,ZINC22_2753009	389.309	ZWLBADQEWHFLQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107708
Brc1ccccc1C(=O)Nc1sc2CCCCCCc2c1C#N	EMOLS-id_4067068,CoCoCo_5814777,PC-id_5076732,ZINC22_2733655,MCULE-8816356565,SPECS-id_AK-968/11841174	389.309	IQAOLEYXXDUWSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107709
Brc1cc(C(=O)Nc2sc3CCCCCCc3c2C#N)ccc1	PC-id_4439518	389.309	ZISBWCRSFOVMQD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107710
Brc1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)cc1	MCULE-3965174533,CoCoCo_3763609,PC-id_2358834,ZINC22_3241373	389.313	KBQSZIFAZJPCRX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107711
c1(NC(=O)c2cc(sc2Cl)Cl)sc2c(CCCCC2)c1C(=O)N	MCULE-5908747739,PC-id_5086132,CoCoCo_5015406,ZINC22_4134726,EMOLS-id_28189685	389.32	OFUNAOHAPHZTEO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-107712
FC(F)(F)Oc1ccc(NS(=O)(=O)c2cc3C(=O)NCCCn3c2)cc1	PC-id_53182825,EMOLS-id_33086418,MCULE-6745970588	389.35	NDNFZROJQTUPLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107713
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1oc([N+](=O)[O-])cc1)C#N	PC-id_4532810	389.382	YZLKLVHKZKZYRQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-107714
C(C(=O)OC)(NC(=O)C)(C(F)(F)F)Nc1sc2c(CCCCC2)c1C#N	TIMTEC330485,ChEMBL-DNDi_CHEMBL3448-8331,MCULE-6774874772,PC-id_606159,EMOLS-id_6772136	389.393	NGFLFOXCGLOCIW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-107715
COC(=O)[C@](NC(=O)C)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	CoCoCo_1743948,ZINC22_4548676,PC-id_7277637	389.393	NGFLFOXCGLOCIW-HNNXBMFYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-107716
COC(=O)[C@@](NC(=O)C)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	ZINC22_4548673,CoCoCo_1743947,PC-id_7277634	389.393	NGFLFOXCGLOCIW-OAHLLOKOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-107717
N#Cc1c(NC(=O)CCNC(=O)OCC(F)(F)F)sc2c1CCCCC2	MCULE-2394112236,ZINC22_95954844,PC-id_75417119,EMOLS-id_48779438	389.393	JZMOVLDPOJKYAI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-107718
CCC1=C(CCc2cccc(c2F)F)N(CC(=O)O)c2c(C(=O)C1)cn(n2)C	PC-id_142134495	389.396	WXCOFJMHXQYZBA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-107719
CC(C)OC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc(F)c(F)c1	SCHEMBL17777915,PC-id_121358846,BindingDB-id_731727	389.396	UFAODTKTLCQZPP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-107720
CCOC(=O)C1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17777858,PC-id_121358790	389.396	WGFLYNWVEQQYON-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-107721
CCOC(=O)C1=CN(CC(C)(C)c2c(C)n[nH]c12)C(=O)c1ccc(F)c(F)c1	PC-id_121358708,BindingDB-id_731683,SCHEMBL17777766	389.396	WOYKZRIYRUHHEO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-107722
Fc1ccc(c(c1)F)C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111829934	389.396	JXJNWEDZNLTSLN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107723
NS(=O)(=O)c1ccc(NCc2nnc3n2CCCCC3)c(C(F)(F)F)c1	MCULE-7700183876,EMOLS-id_320342037,ZINC22_269354348	389.396	KQNRNGBYMIFVQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107724
O=C(c1ccc(c(c1)F)F)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111825583	389.396	PWFJSGVZGNDMFT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107725
O=C(c1noc2c1CCCCC2)N1CCN(CC1)C(=O)c1c(F)cccc1F	EMOLS-id_111406480	389.396	NTLMNHCNCDINSP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107726
c1(C(=O)NCC2CC2(F)F)cn2c(CCN(C(=O)Cc3cccnc3)CC2)n1	EMOLS-id_331120662,MCULE-3411385734	389.399	BWSGBRLENBDZFR-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-107727
Fc1cc(F)cc(CC(=O)N2CCc3nnc(CNC(=O)C4CC4)n3CC2)c1	MCULE-9368800071,ZINC22_12192199,CoCoCo_1181237,PC-id_42453193,EMOLS-id_20436191	389.399	POEYDUIYBCLBDU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-107728
O=C(N1CCCc2c(C1)cnn2C)NC1CC(=O)N(C1)c1c(F)cccc1F	EMOLS-id_101720628	389.399	SYKLSPJAIYWDKW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-107729
O=C(NC[C@@H]1CC1(F)F)c1cn2c(n1)CCN(C(=O)Cc1cccnc1)CC2	ZINC22_1875244168	389.399	BWSGBRLENBDZFR-AWEZNQCLSA-N	00100000100000101101000000000010000000000000000000000000	31-01-107730
O=C(NC[C@H]1CC1(F)F)c1cn2c(n1)CCN(C(=O)Cc1cccnc1)CC2	ZINC22_1875244169	389.399	BWSGBRLENBDZFR-CQSZACIVSA-N	00100000100000101101000000000010000000000000000000000000	31-01-107731
N#Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2F)sc2c1CCCCC2	EMOLS-id_44531975,ZINC22_46877526,MCULE-4863729498,PC-id_46484679	389.401	GQJBTJDACWFGSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107732
s1c2CCCCCc2c(c1NC(=O)COc1c([N+](=O)[O-])ccc(F)c1)C#N	PC-id_4810423	389.401	ZRDLEIHBUSHSRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107733
O=C(NCc1n2CCCCCc2nn1)c1c([N+](=O)[O-])cc(OC)c(OCC)c1	PC-id_51266363	389.406	BQRGHSMRWJDHJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107734
C1Cn2cc(nc2OCCN1Cc1ccccc1c1ccc(cc1)C#N)[N+](=O)[O-]	PC-id_89580284,SCHEMBL14965939	389.407	AGWRJRSVPNCCTB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107735
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1ccc(cc1)C#N)[N+](=O)[O-]	PC-id_89580316,SCHEMBL14965986	389.407	OCBIJOYKYZYRRQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107736
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1cccc(c1)C#N)[N+](=O)[O-]	SCHEMBL14965764,PC-id_89580158	389.407	NLAJRMNLYUCNDT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107737
N#Cc1ccc(cc1)c1cccc(c1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_71569981,SCHEMBL14965795	389.407	CBUCOMGALVPVCZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107738
N#Cc1cccc(c1)c1cccc(c1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14966336,PC-id_71569831	389.407	GPEJTAUYYVGSGX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107739
O=C(N1CCCC(CC1)(O)C(F)(F)F)NCCc1nnc2n1CCCCC2	MCULE-1005471577,EMOLS-id_177243931	389.416	OJONZYRKHPVXIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107740
O=C(NCCc1nnc2n1CCCCC2)N1CCC[C@@](O)(C(F)(F)F)CC1	ZINC22_377304583	389.416	OJONZYRKHPVXIY-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107741
O=C(NCCc1nnc2n1CCCCC2)N1CCC[C@](O)(C(F)(F)F)CC1	ZINC22_377304585	389.416	OJONZYRKHPVXIY-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107742
c1(NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCCCC2)c1C(=O)N	MCULE-4980020181,ZINC22_4682384,PC-id_4527824,CoCoCo_6154220,EMOLS-id_1772770	389.426	OCBUUDBCYABSNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107743
c1(NC(=O)c2nccnc2C(=O)O)sc2c(CCCCC2)c1C(=O)OCC	PC-id_53270945,MCULE-2541019487	389.426	SBAGICTUJKRSRX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-107744
c1(NC(=O)c2nccnc2C(=O)O)sc2c(CCCCCC2)c1C(=O)OC	MCULE-6529277054,PC-id_53270946	389.426	SOFBZZULVACWDN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-107745
COc1cc(cc(c1O)[N+](=O)[O-])/C=NNC(=O)c1cc2c(s1)CCCCC2	PC-id_135731437	389.426	VZIFDBWEOKXVPD-GRSHGNNSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107746
COc1cc(cc(c1O)[N+](=O)[O-])/C=N/NC(=O)c1cc2c(s1)CCCCC2	PC-id_135731438	389.426	VZIFDBWEOKXVPD-VXLYETTFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107747
NC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCCC2	ZINC22_32125117,PC-id_20166078	389.426	XFMIIBMPVFMQGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107748
NC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2	PC-id_20166079,ZINC22_32125272	389.426	VGSJIQXGYAUELC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107749
s1c2CCCCCc2cc1C(=O)NNC=C1C=C([N+](=O)[O-])C(=O)C(=C1)OC	PC-id_8159488	389.426	HTZRKGLRJIEDDF-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-107750
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(OC)ccc([N+](=O)[O-])c1	PC-id_9163636	389.426	XHHAJLXOIROGRA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107751
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1	PC-id_26778394	389.426	JHYNHXZMHBFELM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107752
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1c([N+](=O)[O-])cccc1	PC-id_34035406	389.426	OQTSDMHOFOZJKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107753
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1nccnc1)C(=O)OC	PC-id_2680680	389.426	MQMLGHYRPNSPDM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-107754
s1c2CCCCCc2nc1NC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OCC	PC-id_25540824	389.426	SBIWPHHFNHFVFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107755
s1c2CCCCCCc2cc1C(=O)NNC(=O)C=Cc1oc([N+](=O)[O-])cc1	PC-id_84927159	389.426	AEVUBXMDFBELER-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-107756
s1c2CCCCCCc2cc1C(=O)NNC(=O)/C=C/c1oc([N+](=O)[O-])cc1	PC-id_9089396	389.426	AEVUBXMDFBELER-VQHVLOKHSA-N	00000000101000000100000000000010000000000000000000000000	31-01-107757
s1c2CCCCCCc2nc1NC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OC	PC-id_60571779	389.426	ZSROLVAOVLEXKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107758
COc1cc(ccc1F)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161068	389.427	FEHVHZXEOCEAHB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107759
CS(=O)(=O)c1ccc(CC(=O)N2CCc3nn(CC#N)c(=O)n3CC2)cc1	EMOLS-id_50586939,PC-id_91910685,MCULE-1118343566	389.429	GSXWUSLRNMBGIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107760
CSC1=Nc2nc(nn2C=C(C1)C#N)Nc1ccc(cc1)Oc1ccncc1	PC-id_143056944	389.434	CMXQMOPRQZVTDB-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-107761
s1c2CCCCCc2c(c1NC(=O)CN(CCCO)CC(F)(F)F)C#N	PC-id_60256602	389.436	FECIKHJRXLQAOH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-107762
s1c2CCCCCc2c(c1NC(=O)CN(CCOC)CC(F)(F)F)C#N	PC-id_60303634	389.436	QVJCIQWEOQJQSG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-107763
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(F)cc(NC(=O)C)cc1	PC-id_8187902	389.441	ZDKYYXILTHVPAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107764
Fc1ccc(c(c1)F)C(N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319142151	389.442	OTVVFAUBQUGJCT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107765
Fc1cccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c1F	ZINC22_14883383,CoCoCo_1207255,EMOLS-id_20455055,PC-id_26279273,CoCoCo_1207256,MCULE-3856986348	389.442	AWFDAKNYPKXNOM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-107766
Fc1cccc(F)c1CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1	CoCoCo_1142837,EMOLS-id_20408326,PC-id_28309263,CoCoCo_1142836,ZINC22_19739762,MCULE-8135573378,ChEMBL-DNDi_CHEMBL12770441	389.442	RYICNBFXFPJTFU-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-107767
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(F)c(cc1N1CCCCC1)F	EMOLS-id_101865573,MCULE-5932220139	389.442	WPGJBGKWOTYMEX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107768
O=C(N1CCN(Cc2nnc3n2CCCCC3)CC1)C(F)(F)c1ccccc1	PC-id_45896869,EMOLS-id_30255901,ZINC22_40115950,MCULE-4591096086	389.442	HVMUKKFVJHQROV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107769
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)/C=C/c1ccccc1	CoCoCo_5709897,PC-id_6277557,NSC647065	389.444	DMEOGIXCUSGPEG-ZHACJKMWSA-N	00000010100000110110000000000010000000000000000000000000	31-01-107770
Fc1cccc(c1)NC(=O)C1CSCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_100966212	389.444	DTPVMXARJMANHU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-107772
O(C(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)C=Cc1ccccc1)CC	PC-id_372120	389.444	DMEOGIXCUSGPEG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-107773
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)C)ccc1F	PC-id_60566767	389.444	GANPNMLAGMVRAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107774
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1ccc(F)cc1	PC-id_55349373	389.444	PXHVTLFLZYXTHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107775
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(F)ccc1	PC-id_24554108	389.444	AJOJYCGYOUAESN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107776
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1c(F)cccc1	PC-id_9300987	389.444	YNFZKMMBISHZIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107777
s1c2c(CCCCC2)c(c1NC(=O)c1cc(NC(=O)C)ccc1F)C(=O)N	PC-id_60564703	389.444	BDJKOLMSOHMHLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107778
CCOC(=O)[C@]1(N)CCCC[C@@]1(N)NC(=O)c1cc2=CC(=CCC=c2o1)OC	PC-id_143043732	389.445	MECJMFNYJIECSQ-WOJBJXKFSA-N	00000000100010000110000000000010000000000000000000000000	31-01-107779
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)NCc1occc1	PC-id_27521473	389.445	YPABCYNLKYVRSW-UHFFFAOYSA-M	00000000101000000100000000000010000000000000000000000000	31-01-107780
Fc1cc(C[NH+]2CCN(CC2)Cc2n3CCCCCc3nn2)c([N+](=O)[O-])cc1	PC-id_51963977	389.447	RKJCBGHKYWVMPX-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-107781
O=C(C1Cc2ccccc2O1)N1CC(Cn2cccc2C1)OCc1ccccn1	EMOLS-id_313836321	389.447	DDOJQSPOQFOGPD-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-107782
O=C([C@H]1Cc2ccccc2O1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_585095079	389.447	DDOJQSPOQFOGPD-IFMALSPDSA-N	00000010100000101101000000001010000000000000000000000000	31-01-107783
O=C([C@@H]1Cc2ccccc2O1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1	ZINC22_585095080	389.447	DDOJQSPOQFOGPD-IRLDBZIGSA-N	00000010100000101101000000001010000000000000000000000000	31-01-107784
O=C([C@H]1Cc2ccccc2O1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_585095081	389.447	DDOJQSPOQFOGPD-RBBKRZOGSA-N	00000010100000101101000000001010000000000000000000000000	31-01-107785
O=C([C@@H]1Cc2ccccc2O1)N1Cc2cccn2C[C@H](OCc2ccccn2)C1	ZINC22_585095082	389.447	DDOJQSPOQFOGPD-UNMCSNQZSA-N	00000010100000101101000000001010000000000000000000000000	31-01-107786
O=C(N1CCCn2c(C1)cc(c2)C(=O)NO)c1ccc(cc1)c1ccc(cc1)C	SCHEMBL12210596,PC-id_58465718	389.447	RMJFZRIEAUKDEC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107787
c1(C(=O)N[C@@H]2COCC[C@H]2OC)cn2c(CCN(Cc3cc(no3)C)CC2)n1	ZINC22_1875245072,MCULE-8658045808,EMOLS-id_331138837	389.449	JARNPRDYNXYHGQ-IAGOWNOFSA-N	00000000100010000101000000000010000000000000000000000000	31-01-107788
CN(C1CCc2nn(c(=O)n2CC1)CC1CC1)C(=O)CCc1cc(no1)OC	EMOLS-id_50586237,MCULE-8862326233,PC-id_91922729	389.449	QMGDLSFULUOTPL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-107789
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccn1)c2)Cc1ccc(cc1)C	MCULE-3812751669,EMOLS-id_32846094,PC-id_50798092	389.45	OMRVTTFUYMOYRX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-107790
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccn1)c2)Cc1cccc(C)c1	EMOLS-id_32633078,PC-id_53029184,MCULE-5815411279	389.45	XJZLQCNXGCEMMR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-107791
c12C(=O)N(CCCn1nc(C(=O)NCc1cccnc1)c2)Cc1ccc(cc1)C	EMOLS-id_32846096,PC-id_50798098,MCULE-5609150500	389.45	FQUGHKYKKOZTKO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-107792
c12C(=O)N(CCCn1nc(C(=O)NCc1cccnc1)c2)Cc1cccc(C)c1	EMOLS-id_32633080,MCULE-2847157378,PC-id_53034552	389.45	ARJDVVCJSNHIIW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-107793
c1(cc2CCCc2nc1O)C(=O)N1CCn2c(CC1)nc(Cc1ccccc1)n2	ZINC22_2356166173,EMOLS-id_337824369,MCULE-3063069487	389.45	QASQYHKJPIZEAU-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-107794
n1c(Cc2ccccc2)nn2CCN(C(=O)CNC(=O)c3ccccc3)CCc12	ZINC22_2356169090,EMOLS-id_337817476,MCULE-4967419351	389.45	USCAUNGKTRHBFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107795
O=C(Cc1ccccn1)N1CCc2ccc(C(=O)NCc3cccnc3)n2CC1	EMOLS-id_313771214,ZINC22_585110970	389.45	KKGJPRPUEDPDQU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-107796
O=C(Nc1ccccc1Cc1ccccc1)C(=O)N[C@@H]1CNCc2nccn2C1	ZINC22_2325856506	389.45	SDDOYKJBHHLOMZ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107797
O=C(Nc1ccccc1Cc1ccccc1)C(=O)N[C@H]1CNCc2nccn2C1	ZINC22_2325856507	389.45	SDDOYKJBHHLOMZ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107798
O=C(Nc1cccc(CNC(=O)c2cc3c([nH]2)CCCNC3)c1)c1ccccn1	ZINC22_2325856009	389.45	YVJSOBIDSXPCBE-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-107799
CC(c1onc(n1)C1COCCN1C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_99177919	389.452	HVDHXTTVDRFRJA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-107800
CO[C@H]1C[C@H](c2nc(C)no2)N(/C(=N/CCc2nnc3n2CCCCC3)/O)C1	MCULE-4841819750,ZINC22_330172629,EMOLS-id_100533798	389.452	GNZRYLLNCFRTGK-UONOGXRCSA-N	00000010100000000101100000000010000000000000000000000000	31-01-107801
Cn1c(Cn2cc(NC(=O)c3cc4c([nH]3)CCCNC4)cn2)nc2ccccc12	ZINC22_2325820838	389.454	NRRPNLROMFFXLJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107802
C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc2ccccc2n1C(F)F	CoCoCo_4522902,ZINC22_10320115,PC-id_41451101	389.462	HRHLCKRTIOXRIF-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107803
C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc2ccccc2n1C(F)F	PC-id_41451100,CoCoCo_4522901,ZINC22_10320114	389.462	HRHLCKRTIOXRIF-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107804
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s1c2CCCCCc2c(c1NC(=O)CN(Cc1cc(F)c(F)cc1)C)C#N	PC-id_55558289	389.462	VROIWWFSQIKPPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107806
s1c2CCCCCc2c(c1NC(=O)CN(Cc1c(F)cc(F)cc1)C)C#N	PC-id_32259404	389.462	FPEDXTMJEJDSRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107807
c1(NC(=O)c2ccc(cc2OC)OC)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_4067400,ZINC22_2748439,MCULE-4074966762,TIMTEC263728,CoCoCo_1849674,CHEMBL1318586,PC-id_4180825	389.465	KJUSHPGMASSCPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107808
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCCCC2)c1C(=O)OC	MCULE-9614263416,CoCoCo_6791276,PC-id_1358619,ZINC22_1200290,TIMTEC502073,EMOLS-id_1128389	389.465	VJTIXRBPZWOLRP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107809
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)OC	MCULE-8506617189,TIMTEC65532,PC-id_1012018,STOCK3S-71735,ZINC22_672821,EMOLS-id_4067396,SPECS-id_AK-968/15252476,CoCoCo_6792171	389.465	AWZKMNWZEJQUMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107810
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_4067398,PC-id_1221156,CoCoCo_5817392,TIMTEC228798,ZINC22_996423,SPECS-id_AK-968/12116596,MCULE-2556110103	389.465	IXCSNPZLLNDAAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107811
c1(NC(=O)C2C(C(=O)O)C3CC2C=C3)sc2c(CCCCC2)c1C(=O)OC	TIMTEC406467,MCULE-7278986263,PC-id_2862743,SPECS-id_AK-968/11987366,EMOLS-id_2096257	389.465	QNCPGOIWERLDBR-UHFFFAOYSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107812
COC(=O)c1ccc(cc1OC)C(=O)N1CCCC(c2c1sc(c2C)C)O	SCHEMBL7014042,PC-id_18378554	389.465	HZWJUNGUGCUXRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107813
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_684333,ZINC22_4178574,PC-id_11881172	389.465	QNCPGOIWERLDBR-PKIAMQTDSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107814
COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_11881170,CoCoCo_684334,ZINC22_4178572	389.465	QNCPGOIWERLDBR-BVIHXZOGSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107815
COC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_240825128	389.465	QNCPGOIWERLDBR-LWWSYDQCSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107816
COC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_240825130	389.465	QNCPGOIWERLDBR-UOVKNHIHSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107817
COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_684335	389.465	QNCPGOIWERLDBR-BAESOJJISA-N	00000011100000000100000000000110000000000000000000000000	31-01-107818
COC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_684337	389.465	QNCPGOIWERLDBR-RBDSIQFVSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107819
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_684338	389.465	QNCPGOIWERLDBR-FDRIWYBQSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107820
COC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_684339,PC-id_27273502	389.465	QNCPGOIWERLDBR-JLUCKKNBSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107821
COC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_684340	389.465	QNCPGOIWERLDBR-IDTSFGKNSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107822
COC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2	PC-id_27273500,CoCoCo_684336	389.465	QNCPGOIWERLDBR-DRABBMOASA-N	00000011100000000100000000000110000000000000000000000000	31-01-107823
COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2	ZINC22_100548729,PC-id_20022629	389.465	QNCPGOIWERLDBR-AZHAFVHUSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107824
COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2	ZINC22_100548731,PC-id_20022631	389.465	QNCPGOIWERLDBR-GVARAGBVSA-N	00000011100000000100000000000110000000000000000000000000	31-01-107825
s1c2CCCCCc2cc1C(=O)Nc1c(cc(OC)c(OC)c1)C(=O)OC	PC-id_7917782	389.465	ZHEAXRGFAKQDSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107826
s1c2CCCCCc2cc1C(=O)NCC(O)COc1cc2OCOc2cc1	PC-id_47930470	389.465	COPJJKGAEVXKSS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-107827
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(OC)cc(OC)c1	PC-id_16509498	389.465	JCPVEMSFTXSHFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107828
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(OC)c(OC)cc1	PC-id_7650080	389.465	IRSUTQQLEWKGKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107829
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(OC)ccc(OC)c1	PC-id_7352090	389.465	XIEQYVQPCWUNMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107830
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(OC)cc(OC)cc1	PC-id_7351937	389.465	WORUYXOEAIXCKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107831
s1c2c(CCCCC2)c(c1NC(=O)c1c(OC)ccc(OC)c1)C(=O)OC	PC-id_16848770	389.465	HUIABQCSCDPSGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107832
s1c2c(CCCCC2)c(c1NC(=O)c1c(OC)c(OC)ccc1)C(=O)OC	PC-id_7533030	389.465	JSQKVAZOEWFCEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107833
s1c2c(CCCCC2)c(c1NC(=O)COc1c(OC)cccc1)C(=O)OC	PC-id_7834361	389.465	BREHMRUJSYBXSN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107834
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(c(OC)c3)F)CCn12	PC-id_45208083,EMOLS-id_20563809,MCULE-5861323917	389.467	RNOQSOHSJDSNCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107835
CCC(C)C(=O)NCc1nnc2CCN(Cc3cc(OC)ccc3F)CCn12	EMOLS-id_20537207,MCULE-4144065936,PC-id_45202014	389.467	ZCMNUEOMTLUZSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107836
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)ccc1F)CC2	CoCoCo_1325103,CoCoCo_1325105,ZINC22_20912651	389.467	ZCMNUEOMTLUZSH-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107837
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)ccc1F)CC2	CoCoCo_1325104,ZINC22_20912646,CoCoCo_1325106	389.467	ZCMNUEOMTLUZSH-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107838
CN(C)CCCNC(=O)C1CCCCc2nn(Cc3cccc(F)c3)c(=O)n12	MCULE-1910096763,EMOLS-id_207869538	389.467	XUJPCUHSBACKKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107839
COc1cc(CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)ccc1F	MCULE-9963715841,ZINC22_12155075,EMOLS-id_20536205,CoCoCo_1323689,PC-id_42434054,CoCoCo_1323690	389.467	MQGWDDURQZJADA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107840
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)ccc1F	CoCoCo_1363982,PC-id_42501523,ZINC22_12282745,CoCoCo_1363981	389.467	RNOQSOHSJDSNCK-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107841
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)ccc1F	CoCoCo_1363983,CoCoCo_1363984,ZINC22_12282747,PC-id_42501525	389.467	RNOQSOHSJDSNCK-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107842
s1c2C(=O)C(C(CC(=O)c3ccccc3)c3ccccc3)CC(=O)Nc2cc1	PC-id_10834212	389.467	RMTIKSCZVNCDCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107843
COc1ccc(C(=O)N2CCc3nc(C(=O)N(C)C)sc3CC2)c(OC)c1	ZINC22_1565555811,EMOLS-id_313793075	389.469	PUAXRSMUAXNWCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107844
COCC(=O)N1CCc2nc(C(=O)NCc3cccc(OC)c3)sc2CC1	ZINC22_96264745,PC-id_97524678,EMOLS-id_44379322	389.469	GESKBPRASUXZFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107845
COCC(=O)N1CCc2nc(C(=O)NCc3ccc(OC)cc3)sc2CC1	PC-id_97442481,ZINC22_96146957,EMOLS-id_44303882	389.469	DSCKAQOEQPOAKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107846
COC(=O)c1c(NC(=O)C(=O)c2c(C)nn(C)c2C)sc2c1CCCCC2	PC-id_52638636,ZINC22_59253636,EMOLS-id_44125491,MCULE-2771844653	389.469	SDZPWCQAODMTJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107847
COC(=O)c1sc(NC(=O)c2noc3c2CCCCC3)nc1C1CCCC1	EMOLS-id_49326631,MCULE-1390508142,ZINC22_97166036,PC-id_75511329	389.469	OFFSMQZKZJIERD-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-107848
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O=C(c1noc2c1CCCCC2)N1CCN(CC1)S(=O)(=O)c1ccccc1	EMOLS-id_111823584	389.469	RSFAKXUNBGXZKL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-107850
O=C(c1noc2c1CCCCC2)Nc1ccc(c(c1)S(=O)(=O)NC1CC1)C	EMOLS-id_101041423	389.469	YPDWYAFVFPDSIJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-107851
O=C(c1noc2c1CCCCC2)NCc1cccc(c1)N1CCCS1(=O)=O	EMOLS-id_100155654	389.469	OBGOWHATZVGFHI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-107852
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)CN1CCCC1=O)C)C#N	PC-id_8938708	389.469	LTNXAVYKQAXGJV-LBPRGKRZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-107853
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)CN1CCCC1=O)C)C#N	PC-id_8938716	389.469	LTNXAVYKQAXGJV-GFCCVEGCSA-N	00000010100000000100000000000010000000000000000000000000	31-01-107854
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CN1CCCC1=O)C)C#N	PC-id_84877307	389.469	LTNXAVYKQAXGJV-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-107855
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)c1ccoc1)C	PC-id_52293987	389.469	KCXUDIRHGRKUNM-LBPRGKRZSA-N	00000000101000000100000000000010000000000000000000000000	31-01-107856
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@H](NC(=O)c1ccoc1)C	PC-id_52293988	389.469	KCXUDIRHGRKUNM-GFCCVEGCSA-N	00000000101000000100000000000010000000000000000000000000	31-01-107857
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(NC(=O)c1ccoc1)C	PC-id_60491855	389.469	KCXUDIRHGRKUNM-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-107858
c1(=O)n(C)c2c(cc(cc2)S(=O)(=O)NCc2c3CCCCCc3[nH]n2)n1C	ZINC22_670468420,MCULE-2076628852,EMOLS-id_222787034	389.472	WLEJBKDXSPQROL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107859
CC1(Cn2cc(C(=O)Nc3sc4c(c3C(=O)N)CCCCC4)nn2)COC1	ZINC22_183710022,EMOLS-id_316199948,MCULE-5550230504	389.472	MLNQMSAYTDKSQC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-107860
Cc1[nH]nc(c2ccc(S(=O)(=O)NCc3n[nH]c4c3CCCCC4)o2)c1C	MCULE-8331685127,EMOLS-id_222751293,ZINC22_670434017	389.472	JFZQYYJAKDQXAC-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-107861
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s1c2CCCCCc2nc1NC(=O)C(NC(=O)c1c(F)cccc1)C(C)C	PC-id_46696545	389.487	HWRXTIOJCMIFEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107886
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CC(=N)N1C(=N)COCc2c1sc(c2Cc1ccccc1)C#Cc1cnc[nH]1	PC-id_142305986	389.473	ONNGQKQFNBKIAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107873
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c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3onc(CSC)n3)C2)n1	EMOLS-id_55639636,PC-id_91773026,MCULE-4668153512	389.475	OJUAWCNCJQDNPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107876
Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158947	389.475	DPDJZHZGAUTDQM-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-107877
Cn1cnc2c1c(=O)n(CCCSc1nnc3n1CCCCC3)c(=O)n2C	ZINC22_6097201,CoCoCo_3081490,PC-id_7876735,MCULE-9282446110,EMOLS-id_11937205	389.475	JGAXYFRAFXRVDY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107878
CSCc1noc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)n1	PC-id_100046565,ZINC22_219744427	389.475	OJUAWCNCJQDNPZ-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107879
CSCc1noc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)n1	ZINC22_219744367,PC-id_100046563	389.475	OJUAWCNCJQDNPZ-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107880
O=C(N1CCCN(CC1)C(=O)c1ccsc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102158935	389.475	PKNPKCIMUKILQL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-107881
O=C(NCCN1CCCC1)c1ncn2c1CN(C(=O)c1csnn1)CCC2	EMOLS-id_313786939,ZINC22_1565554783	389.475	ZTYDVBDEJMQFGA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-107882
c1(NC(=O)CCC(=O)NCCc2ccc(cc2)F)sc2c(CCCCC2)n1	MCULE-6560556864,EMOLS-id_334994329	389.487	IWVJQDLOVHKDEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107883
CC(=O)OC(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccccc1	PC-id_102159997	389.487	NPTRTYVFFQNUGS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-107884
OC(=O)c1c2-c(c(CCCCNC(=O)c3ccccc3)c1)ccc(C(C)C)cc2	PC-id_15020234,SCHEMBL9627317	389.487	KOMUIMBAGRZVPS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-107885
s1c2c(CCCCC2)c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])C(=O)N	PC-id_74533801	389.488	UFRIOHINGOWWGP-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-107887
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)N	PC-id_27521540	389.488	UFRIOHINGOWWGP-KGLIPLIRSA-M	00000000100011000100000000000010000000000000000000000000	31-01-107888
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)N	PC-id_27521542	389.488	UFRIOHINGOWWGP-KBPBESRZSA-M	00000000100011000100000000000010000000000000000000000000	31-01-107889
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)N	PC-id_27521544	389.488	UFRIOHINGOWWGP-ZIAGYGMSSA-M	00000000100011000100000000000010000000000000000000000000	31-01-107890
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)N	PC-id_27521546	389.488	UFRIOHINGOWWGP-UONOGXRCSA-M	00000000100011000100000000000010000000000000000000000000	31-01-107891
COc1ccc(CNC(=O)c2ccc3CN(Cc4ccccc4)CCCn23)cc1	EMOLS-id_317419353,MCULE-8954177331	389.49	CTKQHIUSAJDPPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107892
Fc1cc([C@@H]([NH+](C)C)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52273783	389.49	BAPOYEITUWIYHC-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-107893
Fc1cc([C@H]([NH+](C)C)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52273785	389.49	BAPOYEITUWIYHC-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-107894
Fc1cc(C([NH+](C)C)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_75818313	389.49	BAPOYEITUWIYHC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-107895
S(c1n2CCCCCc2nn1)CC(=O)N1CCN(CC1)c1c(F)cccc1	PC-id_8332792	389.49	QRTXZRHPHJOZRB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-107896
c12CN(CCCn1nc(CNC(=O)CN1CCCC(O)C1)c2)C(=O)C1CCC1	PC-id_72849699,MCULE-7728377611,EMOLS-id_46033813	389.492	NRLSQHIRHJJAAU-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-107897
c12C(=O)NCC(O)Cn1nc(C(=O)NCCC1CCN(CC1)C1CCCC1)c2	MCULE-3315128322,PC-id_91840837,EMOLS-id_55688863	389.492	DZPMJYXXJCIVFQ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-107898
C1(C)(C)C(C1(C)C)C(=O)N1CCn2c(CC1)nnc2CNC(=O)C1CCOC1	MCULE-8128958191,PC-id_45185108,EMOLS-id_20463451	389.492	DYTHJNXRPQRGGT-UHFFFAOYSA-N	00100010100000000101000000000010000000000000000000000000	31-01-107899
C1CCC(CC1)N1CCC(CC1)CNC(=O)c1nn2CC(CNC(=O)c2c1)O	PC-id_135101560	389.492	XKZAHYUWHVTSRZ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-107900
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(COC)o3)CCn12	PC-id_45211728,MCULE-7947961230,EMOLS-id_20579351	389.492	ZTIQSYCIASVXNZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-107901
CC1(C)C(C(=O)N2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)C1(C)C	ZINC22_11782416,CoCoCo_1218955	389.492	DYTHJNXRPQRGGT-CYBMUJFWSA-N	00100010100000000101000000000010000000000000000000000000	31-01-107902
CC1(C)C(C(=O)N2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)C1(C)C	ZINC22_11782417,CoCoCo_1218956	389.492	DYTHJNXRPQRGGT-ZDUSSCGKSA-N	00100010100000000101000000000010000000000000000000000000	31-01-107903
CCC(CC)CN1CCc2nnc(CNC(=O)c3ccc(COC)o3)n2CC1	PC-id_26343153,CoCoCo_1371104,ChEMBL-DNDi_CHEMBL42742053,EMOLS-id_20568691,ZINC22_14988623,CoCoCo_1371105,MCULE-9114770933	389.492	UYDCYORNBLNJLP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-107904
CC(C)(C)C(=NC(=O)c1c2CN(CCCn2c(n1)C=CCOC)C)C(=O)NC	PC-id_89222528	389.492	HYXUNFRZLAZJBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107905
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(COC)o1)CC2)C(C)C	CoCoCo_1387482,ZINC22_14993048,CoCoCo_1387481	389.492	ZTIQSYCIASVXNZ-LJQANCHMSA-N	00000000101000000101000000000010000000000000000000000000	31-01-107906
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(COC)o1)CC2)C(C)C	CoCoCo_1387484,CoCoCo_1387483,ZINC22_14993046	389.492	ZTIQSYCIASVXNZ-IBGZPJMESA-N	00000000101000000101000000000010000000000000000000000000	31-01-107907
CN1CCCN(CC1)C(=O)N1C=C(C(=O)OC(C)C)c2c(C(C1)(C)C)cn[nH]2	PC-id_122580416,SCHEMBL18103506	389.492	IEPUPMVQKNWWPP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-107908
CN1CCN(CC1)C(=O)N1C=C(C(=O)OC(C)C)c2c(C(C1)(C)C)c(n[nH]2)C	SCHEMBL19702841	389.492	JMPGSVJLXHAGEY-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-107909
COC/C=C/c1nc(c2n1CCCN(C2)C)C(=O)/N=C(C(C)(C)C)/C(=O)NC	SCHEMBL14002279	389.492	HYXUNFRZLAZJBW-XPAXRHMLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107910
COC(=O)c1c(NC(=O)Cc2cn3ccsc3n2)sc2c1CCCCC2	MCULE-9082309397,PC-id_71894305,ZINC22_83891627,EMOLS-id_44532489	389.492	RTKCPMYTJVHZAE-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-107911
n12CCN(CCc1nnc2CNC(=O)C1CCOC1)C(=O)CC1CCCCC1	ChEMBL-DNDi_CHEMBL11521279,MCULE-5222501389,EMOLS-id_20399196,PC-id_45170228	389.492	ZNKBSMHTQZBQIO-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-107912
n12CCN(CCc1nnc2CNC(=O)C1CCOC1)C(=O)CCC1CCCC1	PC-id_45183746,EMOLS-id_20457627,MCULE-9256344569	389.492	VJONHFYGIHZVRC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-107913
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccco2)sc2c1CCCCC2	PC-id_20166161,ZINC22_32125247	389.492	XETQRCNUQNMJAA-CMDGGOBGSA-N	00000000101000000100000000000010000000000000000000000000	31-01-107914
O=C(CN1CCC[C@H](O)C1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2	ZINC22_91326151,PC-id_97113414	389.492	NRLSQHIRHJJAAU-SFHVURJKSA-N	00001000100010000101000000000010000000000000000000000000	31-01-107915
O=C(CN1CCC[C@@H](O)C1)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2	ZINC22_91326157,PC-id_97113415	389.492	NRLSQHIRHJJAAU-GOSISDBHSA-N	00001000100010000101000000000010000000000000000000000000	31-01-107916
OC(CN1CCN(CC1)Cc1n2CCCCCc2nn1)COCc1occc1	EMOLS-id_33349806,PC-id_51115610,MCULE-5044730931	389.492	RDTGHWNGWBYDMA-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-107917
O[C@@H](COCc1ccco1)CN1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_52531568,ZINC22_58378400	389.492	RDTGHWNGWBYDMA-QGZVFWFLSA-N	00000000101010000101000000000010000000000000000000000000	31-01-107918
O[C@H](COCc1ccco1)CN1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_52531569,ZINC22_58378401	389.492	RDTGHWNGWBYDMA-KRWDZBQOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-107919
O=C(NCc1nnc2n1CCN(C(=O)CC1CCCCC1)CC2)[C@@H]1CCOC1	CoCoCo_1130715,ZINC22_11964502	389.492	ZNKBSMHTQZBQIO-MRXNPFEDSA-N	00000010100010000101000000000010000000000000000000000000	31-01-107920
O=C(NCc1nnc2n1CCN(C(=O)CC1CCCCC1)CC2)[C@H]1CCOC1	CoCoCo_1130716,ZINC22_11964506	389.492	ZNKBSMHTQZBQIO-INIZCTEOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-107921
O=C(NCc1nnc2n1CCN(C(=O)CCC1CCCC1)CC2)[C@H]1CCOC1	CoCoCo_1210856,ZINC22_14885291	389.492	VJONHFYGIHZVRC-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-107922
O=C(NCc1nnc2n1CCN(C(=O)CCC1CCCC1)CC2)[C@@H]1CCOC1	ZINC22_14885289,CoCoCo_1210855	389.492	VJONHFYGIHZVRC-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-107923
O=C(NCCC1CCN(C2CCCC2)CC1)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_252483361	389.492	DZPMJYXXJCIVFQ-INIZCTEOSA-N	00000010100010000101100000000010000000000000000000000000	31-01-107924
O=C(NCCC1CCN(C2CCCC2)CC1)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_252483362	389.492	DZPMJYXXJCIVFQ-MRXNPFEDSA-N	00000010100010000101100000000010000000000000000000000000	31-01-107925
s1c2CCCCCc2cc1C(=O)OCc1nc2sc(nn2c(=O)c1)CC	PC-id_7614174	389.492	VWWNWVXCHTZKHJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107926
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1sc(nc1C)C)C#N	PC-id_41380805	389.492	OESMRESXDUKIGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107927
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1scnc1C)C)C#N	PC-id_55999288	389.492	HYEMQBVYIYFDTK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107928
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)C=Cc1occc1)C(=O)N	PC-id_73664828	389.492	XETQRCNUQNMJAA-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-107929
s1c2CCCCCc2nc1NC(=O)c1cc(S(=O)(=O)NCC#C)ccc1	PC-id_16606454	389.492	BZELOVBWNDFDQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107930
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1)C#N	PC-id_8482916	389.492	IVYQMQQIBQUHEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107931
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(cc1)C#N	PC-id_8482917	389.492	ODTMVOWURGDSRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-107932
c1(CN(c2ccccc2CC)C(=O)Nc2ccccc2)nnc2CCCCCn12	EMOLS-id_10085798,CoCoCo_2580291,ZINC22_4518203,MCULE-7981678117,PC-id_7267328	389.493	OTHYDMCQQGDQOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107933
c1(CN(c2ccc(cc2)CC)C(=O)Nc2ccccc2)nnc2CCCCCn12	PC-id_7267289,CoCoCo_2580229,ZINC22_4518148,EMOLS-id_10086288,MCULE-7739509102	389.493	ONADFINWSTULRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107934
c1(CN(c2ccc(cc2C)C)C(=O)Nc2ccccc2)nnc2CCCCCn12	ZINC22_4518144,PC-id_7267285,MCULE-8513624196,CoCoCo_2580225,EMOLS-id_10086239	389.493	YAWZXQKQVNIZEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107935
c1(CN(c2ccc(cc2)C)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	EMOLS-id_10086410,PC-id_7267260,ZINC22_4518110,ChEMBL-DNDi_CHEMBLF2559-0118,MCULE-9681965123,CoCoCo_2580200	389.493	BFDUJZHYMBJTMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107936
c1(CN(c2ccc(cc2)C)C(=O)Nc2ccccc2C)nnc2CCCCCn12	PC-id_7565870,CoCoCo_6271537,ZINC22_5223357,EMOLS-id_10086670,MCULE-8568933401	389.493	LORCOAVHUVHVOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107937
c1(CN(c2ccccc2C)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	ZINC22_4518183,MCULE-4816218819,PC-id_7267312,EMOLS-id_10086476,CoCoCo_2580254	389.493	QXSVUTUGNYGKBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107938
c1(CN(c2ccc(cc2)C)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	EMOLS-id_10086408,CoCoCo_2580199,PC-id_7267259,MCULE-2154586600,ZINC22_4518109,ChEMBL-DNDi_CHEMBLF2559-0117	389.493	FXWVSVYYJSSVTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107939
c1(CN(c2ccccc2C)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	PC-id_7267311,EMOLS-id_10086474,ZINC22_4518181,CoCoCo_2580253,MCULE-6624544130	389.493	YXSJIWNXQLXTFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107940
c1(CN(c2cccc(C)c2C)C(=O)Nc2ccccc2)nnc2CCCCCn12	MCULE-3744454874,ZINC22_1072259,CoCoCo_6269668,PC-id_1260318,EMOLS-id_6787373	389.493	VSFJELJFPYNIIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107941
c1(CN(c2cc(C)ccc2C)C(=O)Nc2ccccc2)nnc2CCCCCn12	ZINC22_4518157,MCULE-8076821801,EMOLS-id_10085938,PC-id_7267296,CoCoCo_2580238	389.493	LNZQAZJCLULFEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107942
c1(CN(c2ccc(c(C)c2)C)C(=O)Nc2ccccc2)nnc2CCCCCn12	ZINC22_4518160,EMOLS-id_10086692,PC-id_7267299,MCULE-7159393640,CoCoCo_2580240	389.493	ALNOCVBDBLOKQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107943
c1(CN(c2cccc(C)c2)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	CoCoCo_2580223,ZINC22_4518141,MCULE-1894586597,PC-id_7267282,ChEMBL-DNDi_CHEMBLF2559-0198,EMOLS-id_10086682	389.493	RNSKTABUJJTYKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107944
c1(CN(c2cccc(C)c2)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	CoCoCo_2580222,MCULE-4634053686,EMOLS-id_10086680,PC-id_7267281,ZINC22_4518138	389.493	WUOYTZNRURZIPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107945
c1(CN(c2cccc(CC)c2)C(=O)Nc2ccccc2)nnc2CCCCCn12	CoCoCo_2580217,PC-id_7267276,MCULE-6069547912,EMOLS-id_10086924,ZINC22_4518133	389.493	DJTMBSRTJPUXMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107946
c1(CN(c2cc(C)cc(C)c2)C(=O)Nc2ccccc2)nnc2CCCCCn12	PC-id_7267237,ZINC22_4518077,EMOLS-id_10086213,MCULE-6233430398,CoCoCo_2580162	389.493	WWLIOWWOXNQLJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107947
c1(CN(C)C(=O)c2ccc(cc2)c2nncc(C)c2C)c2CCCCCc2[nH]n1	MCULE-4433925542,ZINC22_2356166541,EMOLS-id_337778820	389.493	BXSKSJOTCHKGLZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107948
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)CC)C(=O)Nc1ccccc1	MCULE-3509300832,PC-id_4752708,ZINC22_8337937	389.493	WGQPDAXSABMQOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107949
c1(nnc2CCCCCn12)N(Cc1ccccc1CC)C(=O)Nc1ccccc1	ZINC22_8338777,MCULE-6249701390,PC-id_4752657	389.493	VPTWSHLNRVFOQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107950
c1(nnc2CCCCCn12)N(Cc1ccccc1C)C(=O)Nc1ccc(cc1)C	MCULE-3068626647,ZINC22_8550220,PC-id_4753048	389.493	RIPIHXJOTWEAMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107951
c1(nnc2CCCCCn12)N(Cc1ccccc1C)C(=O)Nc1cccc(C)c1	ZINC22_16769854,MCULE-8870182186,PC-id_4752734	389.493	JBJNICYYLSTEKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107952
c1(nnc2CCCCCn12)N(Cc1cc(C)ccc1C)C(=O)Nc1ccccc1	MCULE-8702344928,ZINC22_8549708,PC-id_4752696	389.493	HUFCESNONDYUHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107953
c1(nnc2CCCCCn12)N(Cc1cccc(C)c1)C(=O)Nc1ccc(cc1)C	ZINC22_8550216,MCULE-1709285603,PC-id_4752742	389.493	SKJPDQRZEJMWHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107954
c1(nnc2CCCCCn12)N(Cc1cccc(C)c1)C(=O)Nc1cccc(C)c1	MCULE-4682080202,PC-id_4753049,ZINC22_16769864	389.493	OHVNLBXLTWENKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107955
c1(nnc2CCCCCn12)N(Cc1cc(C)cc(C)c1)C(=O)Nc1ccccc1	PC-id_4752704,MCULE-4085752698,ZINC22_8549026	389.493	LJLQECQRDBDDPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107956
Cc1ccc(Cc2ccccn2)cc1NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1	EMOLS-id_177303833,ZINC22_585098471,MCULE-7050373341	389.493	WJLPQEUFAVAUBY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-107957
Cc1ccccc(n2c([nH]c1=O)cc(c2)CN1CCN(CC1)c1cccnc1)C	PC-id_144508077	389.493	LYEPQQIAZIUNLP-UHFFFAOYSA-N	00000000100010101111100000000010000000000000000000000000	31-01-107958
Cc1ccc(C)c(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c1	CoCoCo_6602092,PC-id_16458795,ZINC22_28527875,MCULE-8492928093	389.493	MWVKWPWWMPGAKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107959
Cc1cc(C)cc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c1	MCULE-1013852306,ZINC22_28527903,CoCoCo_6602201,PC-id_16458803	389.493	VGBPHNZITBAJEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107960
Cc1cc(/C=C/C(=O)NCc2nnc3n2CCCCC3)c(C)n1c1ccccc1	PC-id_24676701,CoCoCo_4625750,ZINC22_25667638	389.493	LNQPDAYEEZIDAF-OUKQBFOZSA-N	00000000110000110101100000000010000000000000000000000000	31-01-107961
Cc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2C)c1	CoCoCo_6602293,PC-id_16458826,MCULE-2004406742,ZINC22_28527952	389.493	FBFCDNQKFMQYGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107962
Cc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(C)c2)c1	CoCoCo_6602424,PC-id_16458868,MCULE-2391626878,ZINC22_28534621	389.493	YPKAVZIOQNUNMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107963
Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1C	PC-id_16458873,CoCoCo_6602429,MCULE-8404839842,ZINC22_28534633	389.493	KFBBJCPQUBIICC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107964
Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c(C)c1	PC-id_16458805,MCULE-1485913000,CoCoCo_6602205,ZINC22_28527906	389.493	ROSHLBCZZJWCOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107965
Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)cc1	ZINC22_28527915,PC-id_16458808,CoCoCo_6602272,MCULE-1451488222	389.493	PWLIFOOTQLRIIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107966
Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2C)cc1	ZINC22_28527954,PC-id_16458827,CoCoCo_6602294,MCULE-1055963278	389.493	XAHIIHFMSQHAKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107967
Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)cc2)cc1	ZINC22_28527917,MCULE-1153484001,CoCoCo_6602273,PC-id_16458809	389.493	ZQKGLBIISZAILS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107968
Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(C)c2)cc1	ZINC22_28534623,CoCoCo_6602425,PC-id_16458869,MCULE-9773107753	389.493	XFKQIAYGBFNWEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107969
CCc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c1	CoCoCo_6602633,PC-id_16458982,MCULE-6149268401,ZINC22_28534856	389.493	ZIUXTVLIPWZUHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107970
CCc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1	CoCoCo_6602229,ZINC22_28527910,PC-id_16458806,MCULE-8965492420	389.493	VNEHUXSPNILHBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107971
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccc(cc1)c1ccccc1	MCULE-7663770956,PC-id_72115690,EMOLS-id_43394230	389.493	SQHNRCIJNLVQCL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107972
CC[C@@H](NC(=O)Nc1ccc(c2ccccc2)cc1)c1nnc2n1CCCCC2	PC-id_96519357,ZINC22_78947474	389.493	SQHNRCIJNLVQCL-HXUWFJFHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107973
CC[C@H](NC(=O)Nc1ccc(c2ccccc2)cc1)c1nnc2n1CCCCC2	ZINC22_78947469,PC-id_96519356	389.493	SQHNRCIJNLVQCL-FQEVSTJZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107974
CCC(=O)c1ccc(cc1)CC(NC(=C)C1=Nc2nccn2C(=CC1)C(=C)N)C	PC-id_143344194	389.493	FYIBHQYZYGWGTN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-107975
CC(=O)Nc1ccc(cc1)CN1CCc2n(CC1)c(nn2)CCc1ccccc1	ChEMBL-DNDi_CHEMBL12835825,PC-id_28309372	389.493	HMKVNPYIPVDEBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107976
CC(=O)NCc1nnc2n1CCN(CC2)Cc1cccc(c1)c1ccccc1C	ChEMBL-DNDi_CHEMBL24359644,PC-id_28956932	389.493	JOCUKJBRIZKBND-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107977
CC(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1C	PC-id_28739473,ChEMBL-DNDi_CHEMBL21450074	389.493	KBDCRLDBTKGADS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-107978
CN(C(=O)C[C@H](c1ccccn1)c1ccncc1)Cc1n[nH]c2c1CCCCC2	PC-id_97276144	389.493	XJMDODXSSHUROU-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-107979
CN(C(=O)C[C@@H](c1ccccn1)c1ccncc1)Cc1n[nH]c2c1CCCCC2	PC-id_97276145	389.493	XJMDODXSSHUROU-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-107980
n12CCCNCc1cc(CCC(=O)Nc1ccccc1CCc1ccccn1)n2	EMOLS-id_43103311,ZINC22_72423519,PC-id_70731701,MCULE-4986440930	389.493	AQNNQFLXBGPQSL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-107981
n1c(Cc2ccccc2)nn2CCN(C(=O)CCCCc3cccnc3)CCc12	EMOLS-id_337813877,ZINC22_2356164848,MCULE-7673048031	389.493	JBHREMSFUXJHBG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-107982
O1CCN(Cc2c3-c(cc(C(C)C)cc2)c(c(/N=C/N(C)C)c3C#N)C#N)CC1	PC-id_627673	389.493	BIGNTNZLUYQSKT-CVKSISIWSA-N	00000010100010000111000000000010000000000000000000000000	31-01-107983
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)c1cccc(c1)NCc1ccccn1	MCULE-6600038942,EMOLS-id_316343290	389.493	YVEFPYNPDOVESX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-107984
O=C(N(Cc1n2CCCCCc2nn1)c1c(cccc1C)C)Nc1ccccc1	PC-id_7565997	389.493	OSMKRCAHJMMIAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107985
O=C(N(Cc1n2CCCCCc2nn1)c1cc(ccc1)C)Nc1c(cccc1)C	PC-id_7566036	389.493	WVYMIAWZYKQONX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107986
O=C(N(Cc1n2CCCCCc2nn1)c1c(cccc1)C)Nc1c(cccc1)C	PC-id_7566083	389.493	QPYCPMDJPVAEQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107987
O=C(NCc1n2CCCCCc2nn1)C=Cc1c(n(c(c1)C)c1ccccc1)C	PC-id_72056289,EMOLS-id_29597625,MCULE-9118081257	389.493	LNQPDAYEEZIDAF-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-107988
O=C(NCc1n2CCN(CCc2nn1)Cc1cc(c(cc1)C)C)c1ccccc1	PC-id_28311648	389.493	KOTLUBQFJJBQNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107989
O=C(NCc1n2CCN(CCc2nn1)Cc1cc(cc(c1)C)C)c1ccccc1	PC-id_29084754	389.493	ARDMUXVMTAQCFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107990
O=C(NCc1nnc2n1CCCCC2)/C=Cc1cc(n(c1C)c1ccccc1)C	CoCoCo_4625751,PC-id_97745110	389.493	LNQPDAYEEZIDAF-SEYXRHQNSA-N	00000000110000110101100000000010000000000000000000000000	31-01-107991
O=C(N(Cc1n[nH]c2c1CCCCC2)C)CC(c1ccncc1)c1ncccc1	PC-id_72881982	389.493	XJMDODXSSHUROU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-107992
O=C(NCCc1n2CCCCCc2nn1)c1c(N(c2ccccc2)C)cccc1	PC-id_60544255	389.493	CNXAJHWPHSCPGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-107993
c1(NC(=O)CSc2[nH]c(=O)cc(N)n2)sc2c(CCCCCC2)c1C#N	ChEMBL-DNDi_CHEMBL1450384,PC-id_135402612,CoCoCo_940604,CHEMBL1450384,ZINC22_8607057,EMOLS-id_2459625,MCULE-7678958238,BindingDB-id_73215,BindingDB_PC-id_2192997	389.495	ZSJZMRMJGIXWMO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-107994
Cc1n(ncc1S(=O)(=O)Nc1nc2c(s1)CCCCC2)c1ccccn1	EMOLS-id_100323200	389.495	XOEUCHRCBTWASZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-107995
CCn1c(c(c(n1)C)CCN(C)C(=O)Cn1c(=O)n2CCC(CCc2n1)N)C	PC-id_91910896	389.495	QVBFLLVAPOFIIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107996
CCN(Cc1c(C)nn(CC)c1C)C(=O)Cn1nc2CCC(N)CCn2c1=O	EMOLS-id_50590582,PC-id_91910900	389.495	NCUGFUKWGSIVPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-107997
CC(=O)c1sc2nc(CSc3nnc4n3CCCCC4)[nH]c(=O)c2c1C	CoCoCo_3081972,MCULE-6927528486,EMOLS-id_11710251,PC-id_7877264,ZINC22_6097958	389.495	MTIJOHSGZUXHDS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-107998
CN=C(N1CCN(CC1)C(=O)C1CCCO1)NCc1nnc2n1CCCCC2	PC-id_111301345	389.495	HPSOOFKFGMXYFV-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-107999
COc1ccc2nc(NC(=O)CSc3nnc4n3CCCCC4)sc2c1	CoCoCo_3082256,ZINC22_6098428,MCULE-2147296624,PC-id_7877605,EMOLS-id_11713213	389.495	SILBQRRIBKSUIJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108000
OC(=C)c1sc2c(c1C)c(=O)[nH]c(n2)CSc1nnc2n1CCCCC2	CoCoCo_3081973	389.495	QOIDZINZOVYBOQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108001
O=C(CN1CCN(CC1)C(=O)NCCc1nnc2n1CCCCC2)NC1CC1	EMOLS-id_98086387	389.495	GBZRUXLUDKVPJN-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-108002
O=C(N1CCN2C(C1)CN=C2NCc1nnc2n1CCCCC2)OC(C)(C)C	PC-id_112226204	389.495	QZWDXDSBEPSGMG-UHFFFAOYSA-N	00000011100010000101000000000110000000000000000000000000	31-01-108003
O=C(N1CCN(CC1)Cc1nnc2n1CCCCC2)N[C@@H]1CCCCNC1=O	GD-id_ZINC45665688	389.495	LKOREOHIIQSLOG-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108004
O=C(N1CCN(CC1)C(=O)CC1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102159082	389.495	BTJMAJAGMPFEGQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108005
O=C(N1CCN(CC1)C(=O)CCC1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183294	389.495	IBCUJRWIZSDRLV-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-108006
S(c1n2CCCCCc2nn1)CC1=NC(=O)C2C(=C(SC2=N1)C(=O)C)C	PC-id_78559279	389.495	WNURWJUFWSEHDH-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-108007
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)c1ccc([N+](=O)[O-])cc1	PC-id_8205517	389.495	JPEWNCKGVBLAAE-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-108008
n12CCCCCc1nnc2C(=Cc1c(n(c2n(ncc2)C(C)C)c(c1)C)C)C#N	PC-id_84948414	389.497	WMEJFKPMLDJZMY-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-108009
n12CCCCCc1nnc2/C(=C/c1c(n(c2n(ncc2)C(C)C)c(c1)C)C)/C#N	PC-id_9187307	389.497	WMEJFKPMLDJZMY-CPNJWEJPSA-N	00000000110000000101100000000010000000000000000000000000	31-01-108010
C=CCNc1nnc(s1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135572268	389.498	BORDPLDAZKQWIY-QXMHVHEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108011
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1sc(NCC=C)nn1	PC-id_78727400	389.498	TWTYYHRSPKBUSN-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-108012
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1sc(NCC=C)nn1	PC-id_8573487	389.498	TWTYYHRSPKBUSN-KAMYIIQDSA-N	00000011100000000111000000000010000000000000000000000000	31-01-108013
O=C(N1CCC(CC1)N(C1=C(F)C=c2c(=C(CC1)C)cc[nH]2)C)OC(C)(C)C	PC-id_144423158	389.507	JTWXGKNAXIYSFQ-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-108014
CCCCCc1c(NC(=O)C)c(c2-c1ccc(cc2)CS)OC(=O)OCC	SCHEMBL8526408	389.508	JLJQAHMCCKRPFN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-108015
CCOC(=O)Oc1c2-c(c(c1NC(=O)C)CCC(C)C)ccc(cc2)CS	SCHEMBL8529055	389.508	YQNNJPGDLDBPLK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-108016
COCCn1c(C)cc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c1C	CoCoCo_2861326,MCULE-2310958259,ZINC22_5361844,EMOLS-id_2875054,PC-id_4855982	389.508	KYRPJBYPMPCNRD-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-108017
COC(=O)C1CCCN1S(=O)(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_60194718,SCHEMBL15899094	389.508	GHFZEOCVHMWBAO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-108018
s1c2CCCCCc2cc1C(=O)NC(c1cc(OC)c(OC)c(OC)c1)C	PC-id_55709430	389.508	UHTBEBAXQJLLQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108019
s1c2CCCCCc2cc1C(=O)N(Cc1c(OC)c(OC)c(OC)cc1)C	PC-id_18113303	389.508	WBRHQDHYJJTVOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108020
s1c2CCCCCCc2cc1C(=O)Nc1cc(OCCOC)c(OC)cc1	PC-id_32519453	389.508	RDPNSIFWPIHHLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108021
s1c2CCCCCCc2cc1C(=O)NCc1cc(OC)c(OC)c(OC)c1	PC-id_9483353	389.508	BLVHWNURVZNHSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108022
s1c2CCCCCCc2cc1C(=O)NCC(O)c1c(OC)ccc(OC)c1	PC-id_55654243	389.508	FIMRZGUZCMZJNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108023
s1c2c(CCCCC2)c(c1NC(=O)c1ccccc1)C(=O)c1ccc(cc1)C	PC-id_24045576	389.51	ZQGKRFGQMIOSIU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108024
COC(=O)C1CCN(CC1)C(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	EMOLS-id_13568152,PC-id_17479104,MCULE-9570288791	389.512	CFALRQZBCFLPRL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-108025
COC(=O)C1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	CoCoCo_4225988,CoCoCo_4225986,ZINC22_8471122,PC-id_40740353	389.512	CFALRQZBCFLPRL-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-108026
COC(=O)C1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC22_8471119,CoCoCo_4225987,PC-id_40740351,CoCoCo_4225989	389.512	CFALRQZBCFLPRL-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-108027
COC(=O)c1c(NC(=O)c2cc(n(n2)C(C)(C)C)C)sc2c1CCCCC2	PC-id_112845479	389.512	ZLHALKHTWCZJAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108028
N#CCCN1CCC(CC1)C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	EMOLS-id_323881213,PC-id_146160741	389.512	GYCMWTVRVMZDEG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-108029
NC(=O)c1c(NC(=O)C2CCN(C(=O)C3CC3)CC2)sc2c1CCCCC2	EMOLS-id_43822197,MCULE-4905771322,PC-id_60211028,ZINC22_69161353	389.512	LSAKPPNCILFTJU-UHFFFAOYSA-N	00100000100010000100000000000010000000000000000000000000	31-01-108030
O=C(C1CC=CCC1C(=O)Nc1nc2c(s1)CCCCC2)N1CCOCC1	EMOLS-id_101001343	389.512	RYWKMHCIIXUJCN-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-108031
O=C(C(=O)N1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2)N1CCCC1	EMOLS-id_110234322	389.512	DTFICZNVEDWZRY-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-108032
O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1	EMOLS-id_33350790,PC-id_51116208,MCULE-4673604889,ZINC22_47402615	389.512	CWMVPVCARLSSRI-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-108033
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCN(C(=O)C2CC2)CC1	PC-id_51165339	389.512	LQCYVEWKFUYGAA-UHFFFAOYSA-N	00100000100010000100000000000010000000000000000000000000	31-01-108034
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CN(C2CCCC2)C(=O)C1	PC-id_46656986	389.512	JJOVVWPHWDCTMM-UHFFFAOYSA-N	00000010100000000100100000000010000000000000000000000000	31-01-108035
s1c2c(CCCCC2)c(c1NC(=O)CCc1c(n(nc1C)C)C)C(=O)OC	PC-id_52638603	389.512	XLZKTIOCWMARBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108036
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)OC)C#N	PC-id_8741691	389.512	FIEZUWXYLSQXQO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-108037
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(CCC1)C(=O)OCC)C#N	PC-id_24427699	389.512	WLCPVQATTSEYHL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-108038
s1c2c(CCCCC2)c(c1NC(=O)CN1C[C@@H](CCC1)C(=O)OCC)C#N	PC-id_27157889	389.512	WLCPVQATTSEYHL-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-108039
s1c2c(CCCCC2)c(c1NC(=O)CN1C[C@H](CCC1)C(=O)OCC)C#N	PC-id_27157892	389.512	WLCPVQATTSEYHL-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-108040
s1c2CCCCCCc2cc1C(=O)OC(C(=O)Nc1c(n(nc1C)C)C)C	PC-id_84862521	389.512	PKTGTMZJHIMSRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108041
s1c2CCCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(n(nc1C)C)C)C	PC-id_8881662	389.512	PKTGTMZJHIMSRL-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108042
s1c2CCCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(n(nc1C)C)C)C	PC-id_8881666	389.512	PKTGTMZJHIMSRL-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108043
S(c1n2CCCCCc2nn1)CC(O)COc1ccc(CCC(=O)C)cc1	PC-id_60221336	389.512	SQXWZYYSSQIXST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108044
Nc1nc2c(s1)CCN(CC2)CC#Cc1ccccc1OCc1ccccc1	SCHEMBL9871493,PC-id_19985878	389.513	VNKNUASHKARYID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108045
Nc1nc2c(s1)CCN(CC2)CC#Cc1cccc(c1)OCc1ccccc1	SCHEMBL9871886,PC-id_19985805	389.513	PVZBCWYQSBAQPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108046
Nc1nc2c(s1)CCN(CC2)CC#Cc1ccc(cc1)OCc1ccccc1	SCHEMBL9872453,PC-id_19985911	389.513	BJCUQTGCIZLLPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108047
O=C(Nc1ccccc1)c1c(/N=C/c2cccnc2)sc2c1CCCCCC2	ZINC22_408969009	389.513	FRXTUDWVHSAFLC-PCLIKHOPSA-N	00000000100000111100000000000010000000000000000000000000	31-01-108048
C1CCC(C1)N(Cc1cccs1)C(=O)Cn1c(=O)n2CCC(CCc2n1)N	EMOLS-id_50590566,PC-id_91922750	389.515	HDMNXHMDTQXFSC-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-108049
c1(c(C)nc(N2CCOCC2)s1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	PC-id_154565781,EMOLS-id_324170002,MCULE-7953020251,ZINC22_1857697654	389.515	GQGWGWLTTXLUOV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-108050
Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	CoCoCo_4490996,MCULE-2932561194,EMOLS-id_31867736,ZINC22_32876286,PC-id_40111114	389.515	WCVHJPAXVXKNAJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108051
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCc1nnc2n1CCCCC2	CoCoCo_4625780,MCULE-4641206061,EMOLS-id_20081927,ZINC22_25667786,PC-id_24676723	389.515	RUDSSHYCWYEZPE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-108052
Cc1noc(c1)CN1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101066479	389.515	HGZMIXXHNRRUJC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108053
Cc1onc(c1)CN1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101106750	389.515	CKFGHDUQEVUWRC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108054
CCc1c(CC)n[nH]c(=O)c1CNC(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098406	389.515	ARYMBDSJFKCHJI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-108055
CCC(c1nnc2n1CCCCC2)NC(=O)c1sc(nc1C)C1CCOC1	EMOLS-id_319325935	389.515	DOJBUWCGFNLMTJ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-108056
CCNC(=O)c1sc(c(c1)NC(=O)N1Cc2cnn(c2CC(C1)(C)C)C)C	EMOLS-id_316536708	389.515	FKKSEIMBNNLMRN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-108057
N#Cc1c(NC(=O)C(N2CCCN(CC2)C(=O)N)C)sc2c1CCCCC2	EMOLS-id_111821797	389.515	ASEVZCRRFRZWNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108058
O=C(c1sc(nc1C)C1CCOC1)NCCCc1nnc2n1CCCCC2	MCULE-5476886505,EMOLS-id_320174812	389.515	KZGQFVQKSZSGAW-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-108059
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Nc1ccc(cc1)N=S(=O)(C)C	EMOLS-id_316478598	389.515	WICDNDVWNBDUNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108060
O=C(N1CCN(CC1)Cc1nc(c(o1)C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_98522253	389.515	DKQNTVWPQDMFTM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108061
O=C(N1CCOCC1c1c(C)n[nH]c1C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101066509	389.515	UNPLRSCKDRGQQA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-108062
O=C(NC1CCOC(C1)c1ccnn1C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101430741	389.515	VASPCXOGKBKXFL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-108063
O=C(NC1CCOC(C1)c1nccn1C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101430702	389.515	GQYHIYZQRAECAK-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-108064
O=S(=O)(N1CCCn2c(C1)c(nn2)CN1CCCCC1)Cc1ccccc1	PC-id_97405564	389.515	OTBFNFQTEUMNNM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108065
s1c2CC(CCc2nc1NC(=O)Cn1nc2n(CCCCC2)c1=O)CCC	PC-id_56266200	389.515	YUJXYVZJFBVIQK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-108066
S=c1n2CCCCCc2nn1CN(CCC(=O)OCC)Cc1cccnc1	PC-id_60609275	389.515	TWEJFFFJDIQQHF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-108067
S(=O)(=O)(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc(ccc1)C	PC-id_51331286	389.515	DSRZMLVKGPCTNR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108068
S(=O)(=O)(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cc1ccccc1	PC-id_46481751	389.515	TZCBHDICZXOESZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108069
C=CCN1C(=CSC1=C(c1nnc2n1CCCCC2)C#N)c1ccc(cc1)C	PC-id_4602432,MCULE-3596515591,EMOLS-id_44490377	389.517	AYWPVBBSDJISDZ-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-108070
C=CCN1C(=CS/C/1=C(c1nnc2n1CCCCC2)/C#N)c1ccc(cc1)C	PC-id_6161599,CoCoCo_3732759	389.517	AYWPVBBSDJISDZ-PYCFMQQDSA-N	00000011100000110101100000000010000000000000000000000000	31-01-108071
C=CCN1C(=CS/C/1=C(/c1nnc2n1CCCCC2)C#N)c1ccc(cc1)C	PC-id_75363211,CoCoCo_3732760	389.517	AYWPVBBSDJISDZ-RELWKKBWSA-N	00000011100000110101100000000010000000000000000000000000	31-01-108072
Cc1nc(CN2CCN(C(=O)Nc3nc4c(s3)CCCCCC4)CC2)n[nH]1	EMOLS-id_101069053,ZINC22_333042219,MCULE-5908465979	389.518	AOGMEKOWQRBTEK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108073
O=C(N1CCN(CC1)Cc1ncsc1)NCCc1nnc2n1CCCCC2	EMOLS-id_98087044	389.518	BFMKLDCJSNPHQJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108074
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1cc(F)ccc1	PC-id_30376819	389.53	FTDBLDDBQLZMIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108075
c1(NC(=O)c2ccccc2SC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_5570018,CoCoCo_5141848,PC-id_7266820,MCULE-1522241258,ZINC22_4517416	389.532	HGHSOTLRBSYGBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108076
c1(NC(=O)c2ccc(cc2)SC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_5570350,MCULE-6462243599,PC-id_7266961,ZINC22_4517633,CoCoCo_5142094	389.532	RKHGJXZMOPIWLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108077
s1c2CCCCCc2cc1C(=O)OCC(=O)NCCSc1ccccc1	PC-id_7626806	389.532	KCEKVHQKHXOAPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108078
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(SCC)cc1)C(=O)OC	PC-id_7579264	389.532	MHCJKYPQZWKBBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108079
s1c2c(CCCCC2)c(c1NC(=O)c1cc(SC)ccc1)C(=O)OCC	PC-id_7565169	389.532	MUDWEVWYDVRDID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108080
s1c2c(CCCCC2)c(c1NC(=O)c1cc(SCC)ccc1)C(=O)OC	PC-id_7578873	389.532	SHCBVLPLFMPMBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108081
s1c2c(CCCCC2)c(c1NC(=O)c1c(SCC)cccc1)C(=O)OC	PC-id_7578481	389.532	LODUZKQHRKPPGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108082
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(SC)cc1)C(=O)OC	PC-id_41126370	389.532	AMIUDISTHPUDEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108083
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1sccc1)C(=O)OCCC	PC-id_3660007	389.532	QGRMHEHSOSNWSS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-108084
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1sccc1)C(=O)OC(C)C	PC-id_4161521	389.532	AGEUDGWHTRRSGD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-108085
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1sccc1)C(=O)OCCC	PC-id_5888265	389.532	QGRMHEHSOSNWSS-ZHACJKMWSA-N	00000000100100000100000000000010000000000000000000000000	31-01-108086
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1sccc1)C(=O)OC(C)C	PC-id_6024835	389.532	AGEUDGWHTRRSGD-ZHACJKMWSA-N	00000000100100000100000000000010000000000000000000000000	31-01-108087
s1c2c(CCCCC2)c(c1NC(=O)CCSc1ccccc1)C(=O)OC	PC-id_4393472	389.532	BODUHDYNIYNLQL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108088
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1ccccc1)C)C(=O)OC	PC-id_23914598	389.532	GWQUTLZKSDDOCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108089
s1c2c(CCCCC2)c(c1NC(=O)CSc1ccc(cc1)C)C(=O)OC	PC-id_7545047	389.532	DEKRTKFBXHFDSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108090
s1c2c(CCCCC2)c(c1NC(=O)CSc1ccccc1)C(=O)OCC	PC-id_7545907	389.532	KJVYHAWBRQPWIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108091
s1c2c(CCCCC2)c(c1NC(=O)CSCc1ccccc1)C(=O)OC	PC-id_41566428	389.532	KJIKGTXULIQGHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108092
s1c2CCCCCCc2cc1C(=O)OCC(=O)N1CCc2sccc2C1	PC-id_41486059	389.532	QAOFAAUNARGEMT-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-108093
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1sccc1)C(=O)OCC	PC-id_4145071	389.532	FWBAOKFJEOUWKB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-108094
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1sccc1)C(=O)OCC	PC-id_6020606	389.532	FWBAOKFJEOUWKB-VAWYXSNFSA-N	00000000100100000100000000000010000000000000000000000000	31-01-108095
CN(Cc1n[nH]c2c1CCCCC2)S(=O)(=O)CC[C@H]1CCS(=O)(=O)C1	ZINC22_1857691466	389.533	MNLYITNJWKDOIN-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108096
CN(Cc1n[nH]c2c1CCCCC2)S(=O)(=O)CC[C@@H]1CCS(=O)(=O)C1	ZINC22_1857691467	389.533	MNLYITNJWKDOIN-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108097
CN(Cc1n[nH]c2CCCCCc12)S(=O)(=O)CCC1CCS(=O)(=O)C1	MCULE-3731954035,PC-id_145937169,EMOLS-id_323986777	389.533	MNLYITNJWKDOIN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108098
COc1ccccc1N1CCN(CC1)Cc1cc(c2-c1ccccc2)CN(C)C	BindingDB_PC-id_71456046,PC-id_71456046	389.533	HRHSURDPAJFNRA-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-108099
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)CC(C)(C)N1CCOCC1	ZINC22_91460594,MCULE-9971525795,PC-id_72861242,EMOLS-id_46042063	389.535	ATRSASWTUWCBQL-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-108100
O1CCC(CC1)C(=O)NCCc1n2CCN(CC3CCCCC3)CCc2nn1	PC-id_56918762	389.535	YVYABJVMIDEQGH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108138
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(CC=CC(C)C)CCn12	MCULE-5918274666,PC-id_75098915	389.535	DKAIPGSUNOHTEA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108101
c1(CN(C)C(=O)CC2C(=O)NCCN2CC(C)(C)C)c2CCCCCc2[nH]n1	MCULE-5456011364,EMOLS-id_337765870,PC-id_45929017	389.535	DIUAZNUFFTVFEI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108102
c1(NC(=O)CCC(=O)Nc2cccc(SC)c2)sc2c(CCCCC2)n1	MCULE-2148097274,EMOLS-id_335001493	389.535	HSSMKYCCCSKVFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108103
c1(NC(=S)NCc2ccccn2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_2003513,ZINC22_2854933,PC-id_2208305,TIMTEC375282,Chemmine_18604,ChEMBL-DNDi_CHEMBL7803972,CoCoCo_995611,MCULE-1860713054	389.535	PEIBSRPDQNDNSW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108104
c1(NC(=S)NCc2cccnc2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_5948027,TIMTEC249049,EMOLS-id_4067654,MCULE-1898843585,CoCoCo_6799911,PC-id_3268008	389.535	JTPQFJZHBCACQB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108105
c1(NC(=S)NCc2ccncc2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4722162334,EMOLS-id_4067646,CoCoCo_6799913,PC-id_3269283,TIMTEC158924,ZINC22_5948031	389.535	FWYFIUZDXFEVNH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108106
Cc1cccc(NC(=O)CSCC(=O)Nc2nc3c(s2)CCCCC3)c1	MCULE-7983536079,PC-id_30217092,EMOLS-id_44038030,CoCoCo_4546170,ZINC22_22326023	389.535	WXJLWUDCVVLNRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108107
CC1C(NCc2nnc3n2CCCCC3)CC2N(C1CC2)C(=O)OC(C)(C)C	EMOLS-id_258181428,MCULE-3602438206	389.535	TYMCEYDDUMSWNQ-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-108108
Cc1nnc2CCN(CC3(O)CCCN(CCC4CCCCC4)C3=O)CCn12	MCULE-9709771334,EMOLS-id_36584484,PC-id_56746638	389.535	BNBDTMIWQIBWST-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108109
Cc1nnc2n1CCN(C[C@]1(O)CCCN(CCC3CCCCC3)C1=O)CC2	PC-id_95212532,ZINC22_67803231	389.535	BNBDTMIWQIBWST-OAQYLSRUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108110
Cc1nnc2n1CCN(C[C@@]1(O)CCCN(CCC3CCCCC3)C1=O)CC2	PC-id_95212533,ZINC22_67803232	389.535	BNBDTMIWQIBWST-NRFANRHFSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108111
CCCC=Cc1nc(c2n1CCCN(C2)C)C(=O)NC(C(C)(C)C)C(=O)NC	PC-id_87208823,SCHEMBL1175281	389.535	WWLKLMPKRXWMIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108112
CCC/C=C/c1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	PC-id_57635429,SCHEMBL1175277	389.535	WWLKLMPKRXWMIE-SXAWMYDMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108113
CCCC=Cc1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	PC-id_66932146,SCHEMBL1175283	389.535	WWLKLMPKRXWMIE-GOSISDBHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108114
CC(C)/C=C/CN1CCc2nnc([C@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	CoCoCo_1145698,CoCoCo_1145700,ZINC22_12098426	389.535	DKAIPGSUNOHTEA-IBMJZYDUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108115
CC(C)/C=C/CN1CCc2nnc([C@@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	PC-id_98789564,ZINC22_107435107	389.535	DKAIPGSUNOHTEA-DDUKWOAZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108116
CC(C)/C=C/CN1CCc2nnc([C@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	ZINC22_107435104,PC-id_98789563,CoCoCo_1145696,CoCoCo_1145694	389.535	DKAIPGSUNOHTEA-IIMPKJCBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108117
CC(C)/C=C/CN1CCc2nnc([C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	ZINC22_12098425	389.535	DKAIPGSUNOHTEA-UCHJRYNZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108118
CC(C)/C=C/CN1CCc2nnc(C(NC(=O)C3CCOC3)C(C)C)n2CC1	EMOLS-id_44851291,PC-id_45172864	389.535	DKAIPGSUNOHTEA-AATRIKPKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108119
CC(/C=CCN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)[C@@H]1COCC1)C	CoCoCo_1145695,CoCoCo_1145693	389.535	DKAIPGSUNOHTEA-FYVKXAJJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108120
CC(/C=CCN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)[C@H]1COCC1)C	CoCoCo_1145697,CoCoCo_1145699	389.535	DKAIPGSUNOHTEA-ZMGAVLDPSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108121
CCCCOC1=C(CC(=c2c(=N1)n(c(=O)[nH]2)CCCN1CCCCC1)N)CC	PC-id_90781441	389.535	SUWUKSBBNATCSI-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-108122
CCCCOC1=C(CC(=N)c2c(N1)n(c(=O)[nH]2)CCCN1CCCCC1)CC	PC-id_136506378	389.535	XBMCWYVPDONFCJ-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-108123
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(NCCc1nnc3n1CCCCC3)C2	PC-id_98223395,ZINC22_101604510	389.535	NMCCIWQWHFTJDW-IRXDYDNUSA-N	00000010100010000101000000000110000000000000000000000000	31-01-108124
CN1CCCn2c(C1)c(nc2/C=C/CN1CCOCC1)C(=O)NCC(C)(C)C	SCHEMBL13878252,PC-id_71017944	389.535	FGPUWPZMLYFKMP-FNORWQNLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108125
CN(Cc1n[nH]c2c1CCCCC2)C(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C	ZINC22_11663982	389.535	DIUAZNUFFTVFEI-SFHVURJKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108126
CN(Cc1n[nH]c2c1CCCCC2)C(=O)C[C@@H]1C(=O)NCCN1CC(C)(C)C	ZINC22_11663983	389.535	DIUAZNUFFTVFEI-GOSISDBHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108127
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CNCCC2)/C=C/C(C)(C)C	PC-id_145538469	389.535	JDPUYOGLRNZNBF-MDZDMXLPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108128
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCC1CC1	SCHEMBL1175554,PC-id_66932242	389.535	WLFFYLKHYXYNAG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-108129
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C(=C(C)C)C	PC-id_57635672,SCHEMBL1175240	389.535	MEWAIZIQGJGLQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108130
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCC1CC1	SCHEMBL1175551,PC-id_57635377	389.535	WLFFYLKHYXYNAG-GOSISDBHSA-N	00100000100000000101000000000010000000000000000000000000	31-01-108131
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C(=C(C)C)C	SCHEMBL1175238,PC-id_57736871	389.535	MEWAIZIQGJGLQM-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108132
CN(NC(=O)c1c(NC(=O)C=Cc2cccs2)sc2c1CCCCC2)C	PC-id_92046521	389.535	UTKWOMITMPVWGS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-108133
n12CCCNCc1cc(CCC(=O)NCC1(CCCCC1)N1CCOCC1)n2	PC-id_70723696,MCULE-4278726478,EMOLS-id_43089089,ZINC22_72410871	389.535	RKMZNTDCPPWRMH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-108134
N#Cc1c(NC(=O)CC[N@@H+]2CCCN(CC2)C(=O)C)sc2c1CCCCC2	GD-id_ZINC16444119	389.535	SITZYMZVBQRKKT-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-108135
N#Cc1c(NC(=O)CC[N@H+](C2CCCC2)CC(=O)N)sc2c1CCCCC2	GD-id_ZINC47274117	389.535	AXUWTONNKLHIIQ-UHFFFAOYSA-O	00000010100000000100000000000010000000000000000000000000	31-01-108136
N#Cc1c(sc2c1CCCCCC2)NC(=O)C1CSC2(N1C(=O)CC2)C	EMOLS-id_110431549	389.535	AUYPXTAODXXHCA-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-108137
O1CCN(CC=Cc2n3c(CN(CCC3)C)c(n2)C(=O)NCC(C)(C)C)CC1	PC-id_77982439	389.535	FGPUWPZMLYFKMP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108139
O=C(C1CCCCN1C(=O)c1cccs1)Nc1nc2c(s1)CCCCC2	PC-id_112812485	389.535	HPNRYXDDMMTVKJ-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-108140
O=C(Cc1sc2c(c1C(=O)C)CCC2)CSc1nnc2n1CCCCC2	PC-id_141677314	389.535	REAKWVLEMBHHBC-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-108141
O=C(N1C2CCC1CC(C2)NCCc1nnc2n1CCCCC2)OC(C)(C)C	MCULE-1730830253,PC-id_75425837,EMOLS-id_48256415	389.535	NMCCIWQWHFTJDW-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-108142
O=C(N1CCCc2c(C1)cnn2C)NCC1(CCCCC1)CN1CCOCC1	EMOLS-id_101725500	389.535	XRBZVIGYRQRKKI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108143
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O=C(Nc1nc2c(s1)CCCCC2)CCC(=O)N1CCc2c(C1)ccs2	EMOLS-id_98142009	389.535	WJCXLSLMWUCBGA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-108145
s1c2c(CCCCC2)cc1C(=O)N1CC(CCC1)C(=O)Nc1sccn1	PC-id_55960545	389.535	VSORTIRTUXNGBE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108146
s1c2CCCCCc2cc1C(=O)NN=Cc1sc(N2CCOCC2)cc1	PC-id_78620880	389.535	IUZHYHGJMYZBBH-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-108147
s1c2CCCCCc2cc1C(=O)NNC(=S)NCc1ccc(OC)cc1	PC-id_8726809	389.535	OBWKHJUQMXLSLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108148
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1C(CCC1)C(=O)N(C)C)C#N	PC-id_85492508	389.535	SRPHTVIFWQKMGB-UHFFFAOYSA-O	00000010100000000100000000000010000000000000000000000000	31-01-108149
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1[C@@H](CCC1)C(=O)N(C)C)C#N	PC-id_34929776	389.535	SRPHTVIFWQKMGB-INIZCTEOSA-O	00000010100000000100000000000010000000000000000000000000	31-01-108150
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1[C@H](CCC1)C(=O)N(C)C)C#N	PC-id_34929779	389.535	SRPHTVIFWQKMGB-MRXNPFEDSA-O	00000010100000000100000000000010000000000000000000000000	31-01-108151
s1c2c(CCCCC2)c(c1NC(=S)Nc1nc(cc(c1)C)C)C(=O)OC	PC-id_19686243	389.535	OWSUOZRSAJSVLJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108152
s1c2c(CCCCC2)c(c1NC(=S)Nc1ncccc1C)C(=O)OCC	PC-id_19686006	389.535	KMSAMQQPCPBRIZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108153
s1c2c(CCCCC2)c(c1NC(=S)Nc1nccc(c1)C)C(=O)OCC	PC-id_19686061	389.535	UCRRGPYBQZEXKK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108154
s1c2c(CCCCC2)c(c1NC(=S)Nc1ncc(cc1)C)C(=O)OCC	PC-id_19686127	389.535	GDYZOTQNGXHIHB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108155
s1c2c(CCCCC2)c(c1NC(=S)Nc1nc(ccc1)C)C(=O)OCC	PC-id_19686182	389.535	FBVDFXUFWASDRE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108156
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccncc1)C)C(=O)OC	PC-id_19676018	389.535	HFAPOKDNNSIBLH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108157
s1c2CCCCCc2nc1NC(=O)C1CCCN(C1)C(=O)c1sccc1	PC-id_46557905	389.535	KLKJKKGWBVDRNY-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-108158
s1c2c(CCCCCC2)cc1C(=O)N1C(CCC1)C(=O)Nc1sccn1	PC-id_55670224	389.535	WDIJNIVPBAPYJH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108159
s1c2CCCCCCc2cc1C(=O)NNC(=O)CSCc1cccnc1	PC-id_52275516	389.535	VNMBMXUXBMPPPO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108160
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cccnc1)C(=O)OCC	PC-id_19655561	389.535	ZBYVMXXOBVYZJW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108161
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccncc1)C(=O)OCC	PC-id_19655634	389.535	JYNBDMRXYVBCMR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108162
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ncccc1C)C(=O)OC	PC-id_19685999	389.535	CVVWPBLOWCSXQN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108163
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nccc(c1)C)C(=O)OC	PC-id_19686056	389.535	KLFKGEVCTGXDNP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108164
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ncc(cc1)C)C(=O)OC	PC-id_19686120	389.535	SHDMDMACAHYGHM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108165
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nc(ccc1)C)C(=O)OC	PC-id_19686177	389.535	GMHCXVPPPZAVOC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108166
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ncccc1)C(=O)OCC	PC-id_19655512	389.535	IPKHCELPXFNCIT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108167
s1c2c(CCCCCC2)c(c1NC(=S)NCc1cccnc1)C(=O)OC	PC-id_19686588	389.535	KWNOSBQRJPTYDZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108168
s1c2c(CCCCCC2)c(c1NC(=S)NCc1ccncc1)C(=O)OC	PC-id_19686625	389.535	XFFWEPJGRYMMCR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108169
s1c2c(CCCCCC2)c(c1NC(=S)NCc1ncccc1)C(=O)OC	PC-id_19686566	389.535	CYUUAXYQYJEMGK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108170
S=c1n(nc2n1CCCCC2)C[NH+]1C(CCC1)c1c(OC)ccc(OC)c1	PC-id_74486570	389.535	LULCZWQTVCNMJH-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-108171
S=c1n(nc2n1CCCCC2)C[NH+]1[C@@H](CCC1)c1c(OC)ccc(OC)c1	PC-id_25986419	389.535	LULCZWQTVCNMJH-KRWDZBQOSA-O	00000010100000110101100000000010000000000000000000000000	31-01-108172
S=c1n(nc2n1CCCCC2)C[NH+]1[C@H](CCC1)c1c(OC)ccc(OC)c1	PC-id_25986421	389.535	LULCZWQTVCNMJH-QGZVFWFLSA-O	00000010100000110101100000000010000000000000000000000000	31-01-108173
CCCC1C=CC=c2c(=C1)cnn2Cc1ccc(cc1)C(=NC1CCCNC1)N	PC-id_145324402	389.536	KVHQDYPWCVRFAL-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-108174
CC1CCCCN1CCC1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165163	389.538	ULXJRFGFKAVSNP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108175
CCNC(=NCc1nnc2n1CCCCC2)N1CC(=O)N(C(C1)(C)C)C(C)C	PC-id_120051815	389.538	NYDNBHBCIDHMCM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108176
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CCCC1)C(=O)N(C)C	PC-id_111571983	389.538	FJAXLLUXOKBHDH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108177
CCNC(=NCc1nnc2n1CCCCC2)NCCCN1CCCCCC1=O	PC-id_111347922	389.538	GAPLSCRKMHNBPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108178
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(C1)N1CCOCC1	PC-id_111727995	389.538	CWKCSXYMBZJZQG-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-108179
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(CC1)CC(=O)NC	PC-id_109517937	389.538	KPGXTIJUMSEXBZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108180
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(C1)C(=O)C(C)C	PC-id_109803808	389.538	JIHNPRLKRUDRCJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108181
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCCC(C1)CC(=O)N	PC-id_109560756	389.538	OWUVECREBDDTBZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108182
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(C1)C(=O)CC	PC-id_109819709	389.538	JEDNNBXLSXYABO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108183
CCNC(=NCCCN1CCCC1=O)NCCCc1nnc2n1CCCCC2	PC-id_111147684	389.538	HSJRFSVEJPUQKN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108184
CN1CCN(CC1)CC1CCN(CC1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_100826147	389.538	SHEDLIZOYVDVAT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108185
CN=C(N1CCC(C1)N1CCOCC1)NCCCc1nnc2n1CCCCC2	PC-id_111727881	389.538	SUSPXQYXMQKYOW-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-108186
CN=C(N1CC(=O)N(C(C1)(C)C)C(C)C)NCCc1nnc2n1CCCCC2	PC-id_120051735	389.538	MSYYJEXSPHBXOP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108187
CN=C(NC1CCN(C1)C(=O)C(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109802212	389.538	BRQBHAUQPBOZFI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108188
CN=C(NCC1(CCCC1)C(=O)N(C)C)NCCc1nnc2n1CCCCC2	PC-id_111571105	389.538	UUYYPIBYPDNYGG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108189
CNC(=O)CC1CCN(CC1)C(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109518943	389.538	VLDSVSUAWPLVAK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108190
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)C)C#N	PC-id_19715928	389.538	QRODWWHDOMJIIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108191
s1c2CCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)C)C#N	PC-id_19716055	389.538	AFXHQAZNCPHHMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108192
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(C(C)C)cnn1)C)C#N	PC-id_24498685	389.538	JTVPJDHWZYMKGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108193
s1c2CCCCCc2c(c1NC(=O)C(Sc1nc([nH]n1)CCC)C)C#N	PC-id_24591664	389.538	UAGRDRDAROQFJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108194
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(C)C)C)C#N	PC-id_17266504	389.538	LBRCZVAQGZHQSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108195
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)CC)CC)C#N	PC-id_19716450	389.538	UZFGSWKCFMJOMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108196
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)C)C#N	PC-id_19715740	389.538	PBUQTROEVLXHRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108197
s1c2CCCCCCc2c(c1NC(=O)CSc1nc([nH]n1)C(C)C)C#N	PC-id_4392014	389.538	UULGCJHSDQSKLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108198
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)CC)C)C#N	PC-id_19716340	389.538	XDCBHTLOTHKVBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108199
O=C(N1CCC(CC1)[C@H](c1sc2c(c1C)C(=O)C=CCC2)C)OC(C)(C)C	PC-id_145222652	389.551	XERZVMGFZNTHMI-CQSZACIVSA-N	00000000100010000110000000000010000000000000000000000000	31-01-108200
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CN1CCC(C1=O)N1CCC(CC1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_98600209	389.555	LYQMJTLJMIYSCI-UHFFFAOYSA-N	00000010100010000100100000000010000000000000000000000000	31-01-108202
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O=C(C1CCCN1)NCC1CCCN(C1)C(=O)c1cc2c(s1)CCCCC2	PC-id_120033018,MCULE-9808077916,EMOLS-id_302055020	389.555	UEYSOVUOPNWYQM-UHFFFAOYSA-N	00000010100010000100000000000010000000000000000000000000	31-01-108204
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s1c2c(CCCCC2)cc1C(=O)N1CCN(CCC1)CC(=O)N1CCCC1	PC-id_78858874	389.555	HZFNYTDGKDBWOA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108206
s1c2c(CCCCC2)c(c1NC(=O)CCN(C1CCCCC1)CCO)C#N	PC-id_78820567	389.555	QBKZPBCPQGTAJE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-108207
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)N1CCCCC1	PC-id_16622677	389.555	YHKWBKMAFQAHAO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108208
s1c2c(CCCCCC2)cc1C(=O)N1CCN(C(C(=O)NC2CC2)C)CC1	PC-id_51299612	389.555	YISQWTIPKYKFJC-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-108209
CC(Cc1ccc(cc1)C[N@@H+]1CCc2n(CC1)c(nn2)CCc1ccccc1)C	GD-id_ZINC12205948	389.556	IYEFCKVELCOQCD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-108210
c1(NC(=S)NC(=O)Cc2cccs2)sc2c(CCCCCC2)c1C#N	ZINC22_2316629,MCULE-5202949530,EMOLS-id_4457397,PC-id_1933219,STOCK2S-75851	389.558	ZWYLIVKWKVFGQR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-108211
s1c2CCCCCc2nc1NC(=O)CSCc1sc2c(n1)cccc2	PC-id_55507284	389.558	VKAIECZWUQKRGJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108212
CCNC(=NCc1ncc(s1)CC)NCCCc1nnc2n1CCCCC2	PC-id_111535969	389.561	XCSUMELHLVYKIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108213
CCNC(=NCc1scc(n1)C(C)C)NCCc1nnc2n1CCCCC2	PC-id_109847832	389.561	SWJVKAARXNYSFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108214
CCNC(=NCc1sc(c(n1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_112072216	389.561	WMRHTAQEZNQGTE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108215
CCNC(=NCc1sc(nc1C)C)NCCCc1nnc2n1CCCCC2	PC-id_112072282	389.561	QKDXDAJXHYJWOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108216
CCNC(=NCCc1ncc(s1)CC)NCCc1nnc2n1CCCCC2	PC-id_111532191	389.561	XNGSFSUCXSFXPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108217
CCNC(=NCCc1sc(c(n1)C)C)NCCc1nnc2n1CCCCC2	PC-id_109836577	389.561	AJEXEDVKVFVFNH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108218
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1csc(n1)C)C	PC-id_109421800	389.561	KUHJINUGYJSAGU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108219
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1csc(n1)C	PC-id_111933209	389.561	QMKBFADWKUPURZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108220
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ncc(s1)C	PC-id_112072170	389.561	UAICMBIFPKNDBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108221
CN=C(NCc1scc(n1)C(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109846014	389.561	MRKHLEBBEJGGQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108222
CN=C(NCCc1ncc(s1)CC)NCCCc1nnc2n1CCCCC2	PC-id_111533705	389.561	GHUOASUZTFAUPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108223
CN=C(NCCc1sc(c(n1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_109834693	389.561	WFEMXZDWEATSQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108224
CCCC[n+]1c(C)c2-c(ccc(cc2)/C=C/Sc3ccccc3N2CC)c1C	ZINC22_145628870,PC-id_44190027	389.576	BGQYQYRWPJLWBK-UHFFFAOYSA-N	00000010100000100111000001000010000000000000000000000000	31-01-108225
CC(N1CCCC/C=CCCCCCCc2n(CCCCCC1=O)nnn2)C	PC-id_121367150,SCHEMBL17787849	389.578	KUINIHNIPRIXRH-XQRVVYSFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-108226
CCN(C/C=C/c1nc(c2n1CCCN(C2)C)C(=O)NC(C(C)(C)C)C)CC	PC-id_145538577	389.578	FKAGDFSHIAPULF-ZRDIBKRKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108227
CCCCN1CCC(CC1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112078929	389.581	LITMCLSGFZIQPJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108228
CCCN1CCC(CC1)NC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_111018379	389.581	FXGTWMGXXHWCEM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108229
CCN(CC1CCN(C1)C(=NC)NCCCc1nnc2n1CCCCC2)CC	PC-id_112083079	389.581	NMKGIOHMWDNKCH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108230
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)N(CC)CC	PC-id_112076294	389.581	MLADWJJELLBMFV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108231
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)CC(C)C	PC-id_111327002	389.581	PEKMLAWVQDRWHA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108232
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)C(C)C	PC-id_111317372	389.581	MIJRHXBQAOXNTG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108233
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CN(CC1C)C(C)C	PC-id_109698699	389.581	IXJRXTJMXMRRQZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108234
CCNC(=NCCCc1nnc2n1CCCCC2)N(CC1CCCN1CC)C	PC-id_112075156	389.581	HXBRLMDUUYYMJD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108235
CCNC(=NCCCN1CCC(CC1)C)NCCc1nnc2n1CCCCC2	PC-id_111387287	389.581	RSKSMKUIYYZYMO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108236
CN=C(NC1CCN(CC1)CC(C)C)NCCCc1nnc2n1CCCCC2	PC-id_112076026	389.581	WCZLSZBYDCXOPZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108237
CN=C(NCc1nnc2n1CCCCC2)NCC(N1CCCCCC1)C(C)C	PC-id_111937101	389.581	OZXYIMIOQQIDFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108238
CN=C(NCCCc1nnc2n1CCCCC2)NCCCN1CCC(CC1)C	PC-id_111388014	389.581	HOUODHZDJXOHNJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108239
CN=C(NCCCN1CCCCC1C)NCCCc1nnc2n1CCCCC2	PC-id_111371441	389.581	BRJRGTLEWSEDOJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108240
CN=C(NCCCN1CCCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111325510	389.581	SOZIGMNSFIWIIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108241
CN=C(NCC(N1CCCCC1)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111321464	389.581	WNGFZNRPIFMGRA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108242
CN=C(NCCN1CCCCC1CC)NCCCc1nnc2n1CCCCC2	PC-id_111568527	389.581	IKTXFLIJXWJLPY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108243
CCCCCCCCC(c1[nH]c(c2c1CCCCCCCCCC2)C=O)OC	PC-id_102351732	389.614	IOUHETVSEZRVOA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-108244
Fc1cc(Br)c(cc1C(c1cc2c(s1)CCCCC2)O)Cl	PC-id_105399492	389.71	HXTGXCPTVFOQLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108245
OC(c1ccc(c(c1F)Cl)Br)c1cc2c(s1)CCCCC2	PC-id_106765031	389.71	CYRLZALZSRKQSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108246
Clc1sc(cc1Br)CNC(c1nnc2n1CCCCC2)C	PC-id_102833958	389.742	IBVCATJUAAOVBX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-108247
C1CCc2nnc(n2CC1)/C(=C(/COc1c(cc(cc1)[N+](=O)[O-])Cl)O)/C#N	PC-id_135777653	389.793	YYJPZIOGSZZBFR-OWBHPGMISA-N	00000000100000110101000000000010000000000000000000000000	31-01-108248
Clc1c(OCC(=O)C(=C2N3CCCCCC3=NN2)C#N)ccc([N+](=O)[O-])c1	PC-id_84883139	389.793	SEKVICUGRMLZKJ-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-108249
Clc1c(OCC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)ccc([N+](=O)[O-])c1	PC-id_8956798	389.793	SEKVICUGRMLZKJ-SFQUDFHCSA-N	00000011000000110111000000000010000000000000000000000000	31-01-108250
c1(c2c(cccc2F)Cl)noc(CNC(=O)c2c3CCCCCc3[nH]n2)n1	MCULE-6342468843,EMOLS-id_323255985	389.811	REMBNALDSNXNAU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108251
COc1cc(c2noc(CN3CCCc4occc4C3)n2)cc(Cl)c1OC	MCULE-2456048855,EMOLS-id_177224400,ZINC22_585083959	389.833	YYLUMPLZYIHJQP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108252
O=C(CCn1c(=O)oc2cc(Cl)ccc12)NCc1nnc2n1CCCCC2	ZINC22_32841624,CoCoCo_4336684,EMOLS-id_24465638,PC-id_40075482,MCULE-1815969954	389.836	OGIMJNUVDPDMLQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108253
C/C=C(C=C
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c1(NC(=O)c2ccc(cc2Cl)N(=O)=O)sc2c(CCCCCC2)c1C#N	EMOLS-id_2023371,TIMTEC348144,MCULE-5974570564,ChEMBL-DNDi_CHEMBL7237958,PC-id_2163925,ZINC22_2739239,CoCoCo_898021	389.856	OABACFMOGPNSJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108255
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCCCCC2)c1C#N	MCULE-9534131454,TIMTEC309976,EMOLS-id_4067795,ZINC22_5670550,CoCoCo_1740015,PC-id_4286099	389.856	MJOMMGMXASLJSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108256
Clc1cc2c(CN3CCCn4c(C3=O)cc(c4)C(=O)NO)csc2cc1	SCHEMBL12210758,PC-id_58465793	389.856	AYFKZLPRUASZII-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108257
Clc1cc(C(=O)Nc2sc3CCCCCCc3c2C#N)c([N+](=O)[O-])cc1	PC-id_5011472	389.856	WGHXMPUJIAFWNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108258
Clc1cc([N+](=O)[O-])c(C(=O)Nc2sc3CCCCCCc3c2C#N)cc1	PC-id_4143616	389.856	VIXRKGBSDSAQFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108259
Clc1c(C(=O)Nc2sc3CCCCCCc3c2C#N)cc([N+](=O)[O-])cc1	PC-id_3510136	389.856	BKWLVEOBMSMLDL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108260
N#Cc1c(NC(=O)COC(=O)c2ccc(Cl)nc2)sc2c1CCCCC2	CoCoCo_2917763,PC-id_2363879,ZINC22_3246635,MCULE-3981924319	389.856	WIARXGGDGVLWSP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108261
N#Cc1c(NC(=O)COC(=O)c2cccnc2Cl)sc2c1CCCCC2	PC-id_2434293,ZINC22_3318533,CoCoCo_3048968,MCULE-4580882752	389.856	CPHRLNSTQMEVRB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108262
NN1CCN(CC1)Cc1ccn2c1CC(=Nc1ccc(c(c1)Cl)F)N=CN2	PC-id_143077742	389.858	WTCSGQNEANIQTM-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-108263
c1(C(=O)NCC(c2ccc(cc2)Cl)CC(=O)OC)c2CCCCCc2[nH]n1	MCULE-8933446358,EMOLS-id_323255738	389.876	PTAGVMUVIFKUIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108264
Clc1cc(ccc1CN1CCOCC1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101041924	389.876	PFMLBMCSMHWWCY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108265
OC(=O)CCc1cc2CN(CCCn2n1)S(=O)(=O)c1ccc(Cl)s1	ZINC22_72423001,MCULE-5362144099,EMOLS-id_43058646,PC-id_70706733	389.878	YLVFJZOHUFXRAP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-108266
c12CN(CCCn1nc(CNC(=O)Cc1ccc(cc1)Cl)c2)C(=O)N(C)C	PC-id_72897154,EMOLS-id_46068135,ZINC22_91694861,MCULE-3716026145	389.879	BMFSSCOWGJNZPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108267
c12CN(CCCn1nc(CNC(=O)N[C@H](C)c1ccc(cc1)Cl)c2)C(=O)C	PC-id_70767420,ZINC22_82137656,MCULE-1176103441,EMOLS-id_44445435	389.879	QANIPHWRILCLJY-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108268
CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)c1cccc(Cl)n1)CCC2	EMOLS-id_313787704,ZINC22_1565555054	389.879	PJAHHBKDRCCHKA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-108269
CCN(C(=O)c1ccc(cc1Cl)NC(=O)C1CCn2c(CC1)nnc2)CC	EMOLS-id_320114888,MCULE-6149929409	389.879	JFUHSASXCKZNGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108270
Clc1ccc(cc1)[C@@H]1[C@H](O)CCN1C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_102198043	389.879	VSJOEEGDFHPNNA-CRAIPNDOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-108271
Clc1cccc(c1)CN1CCN(CC1)C(=O)C1CCCCc2n1c(=O)[nH]n2	MCULE-2156915204,EMOLS-id_207869304	389.879	WQCMXSKQXCQGNV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108272
Clc1ccc(c(c1)NC(=O)N1CCCc2c(C1)cnn2C)N1CCOCC1	EMOLS-id_101963229	389.879	RLAYFMYEOBPJIV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108273
Clc1ccc(C(NC(=O)NCc2nn3CCCN(Cc3c2)C(=O)C)C)cc1	PC-id_78085688	389.879	QANIPHWRILCLJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108274
Clc1ccc(C(=O)NCCCC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266255	389.879	MUIBRFJVCQXCSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108275
Clc1ccc(C(=O)NCCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51304469	389.879	XMLTUVFBDRBUAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108276
O=C(c1cc(Cl)ccc1O)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_51111877,ZINC22_58378181,EMOLS-id_33341045,MCULE-4769568326	389.879	ATUMZXUALZGWPM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108277
Clc1ccc(cc1)CN1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183126	389.882	XNBOXLNVMPWPQG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108278
Clc1c(nc(N2CCCC2)nc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_55824186	389.882	XZKAQJMFOIQBHA-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-108279
O=C(N1CCN(CC1)Cc1ccccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102165220	389.882	KWJGBICKEYRKKB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108280
O=C(Nc1cc(Cl)ccc1N1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102027532	389.882	DIADDPMOMFEBAO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108281
O=C(NC1CCn2c(CC1)nnn2)NC1CCCN(C1)c1ccccc1Cl	EMOLS-id_102179853	389.882	VFYWTDSBGAQRHB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108282
Clc1ccc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_3678783	389.896	RDGXGNGNDKVRGN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108283
Clc1ccc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_5893101	389.896	RDGXGNGNDKVRGN-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108284
Clc1cc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_3630834	389.896	CFYGLGNORMBYKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108285
Clc1cc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_5880174	389.896	CFYGLGNORMBYKJ-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108286
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1	PC-id_4441982	389.896	WPTPQYIZZDZCMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108287
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1	PC-id_6111514	389.896	WPTPQYIZZDZCMN-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108288
C1CCC(C1)(c1ccc(cc1)Cl)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625403	389.899	UZRJNFAQBATLQM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-108289
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2ccc(cc2)Cl)C1	EMOLS-id_323367324,MCULE-2758206947	389.899	FWTIINQTITVSKM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-108290
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2cccc(Cl)c2)C1	MCULE-4574664397,EMOLS-id_323386522	389.899	FRBPWAAFMMGQEL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-108291
CCOc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCCC3)n1	EMOLS-id_44548242,MCULE-6145564399,PC-id_71886230,ZINC22_84807862	389.899	JJRZUDCIKQHQAF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-108292
Clc1ccc(cc1)C(=O)N1CCc2nc(sc2CC1)C(=O)N1CCCC1	PC-id_97524729,ZINC22_96264796,EMOLS-id_44379426	389.899	RRFAUFAXLUDSJF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-108293
Clc1ccccc1N1CC(CC1=O)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_323405974,MCULE-6922624705	389.899	DYXMGCQMXFMPHM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-108294
COc1ccc(NCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Cl	PC-id_25642140,EMOLS-id_16672293,CoCoCo_3686906,ZINC22_12977023,MCULE-2908311309	389.899	OURLQNHPQRACCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108295
Clc1ccc(c2noc(CCCSc3nnc4n3CCCCC4)n2)cc1	EMOLS-id_11980352,ZINC22_8755930,MCULE-6690008978,PC-id_17428178,CoCoCo_4311483	389.902	ZENHZNJCOQVFDL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108296
N#CCCN(C(=O)CSc1nnc2n1CCCCC2)c1cccc(Cl)c1	MCULE-3947767985,PC-id_7877330,ZINC22_6098044,CoCoCo_3082088,EMOLS-id_11994695	389.902	MSRWFTLGJLMCPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108297
Clc1cc(c2oc(CCCNC(c3c4-c(cc3)ccccc4)C)cc2)ccc1	SCHEMBL3857977,PC-id_68816268	389.917	UXCLJERIPHGJES-UHFFFAOYSA-N	00000010101000110110100000000010000000000000000000000000	31-01-108298
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3cccc(Cl)c3)CCn12	PC-id_45204259,MCULE-6127800927,EMOLS-id_20547247,ChEMBL-DNDi_CHEMBL37780555	389.922	PPRGWOYVHJZXFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108299
CC(CC(c1nnc2n1CCN(CC2)Cc1ccc(cc1)Cl)NC(=O)C)C	PC-id_45187855,ChEMBL-DNDi_CHEMBL23206463	389.922	RPEXWFSEVVAPTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108300
CC(C[C@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)Cl)NC(=O)C)C	CoCoCo_1235972,CoCoCo_1235973	389.922	RPEXWFSEVVAPTH-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108301
CC(C[C@@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)Cl)NC(=O)C)C	CoCoCo_1235975,CoCoCo_1235974	389.922	RPEXWFSEVVAPTH-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108302
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2	CoCoCo_1339519,ZINC22_12190982,CoCoCo_1339518	389.922	PPRGWOYVHJZXFI-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108303
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2	ZINC22_12190983,CoCoCo_1339521,CoCoCo_1339520	389.922	PPRGWOYVHJZXFI-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108304
Clc1cc(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)c(cc1)C	PC-id_7566035	389.922	MLKSANIWJPOFFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108305
Clc1c(c(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)ccc1)C	PC-id_7566119	389.922	ZOJMIEDVTZCZHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108306
Clc1cc(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)ccc1C	PC-id_7566173	389.922	TVSAIXACQTXXOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108307
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc(nc1)Cl	PC-id_109786160	389.926	PHBLNFSWJURLQX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-108308
CN=C(NCCc1ccc(nc1)Cl)NCCCc1nnc2n1CCCCC2	PC-id_109784296	389.926	SNSKKFQHSZBKQB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-108309
CCOC(=O)CC1=CNC2=C1C(=I(=CC=C2)C)[N+](=O)[O-]	PC-id_148846440	390.008	OWOIXVXSWCRDQZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-108310
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@H](NS2(=O)=O)C=O	PC-id_154682289	390.08	WZUQYWSDNPGGEG-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108311
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=C[C@@H](NS2(=O)=O)CO	PC-id_155253534	390.08	UNWZGOZAJMIBRB-GFCCVEGCSA-N	00000000100000110111000000000010000000000000000000000000	31-01-108312
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CCC(NS2(=O)=O)C=O	PC-id_154682347	390.08	WZUQYWSDNPGGEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108313
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)C=C	PC-id_154682022	390.08	RZPUVVFISYEUIM-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-108314
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)C=C	PC-id_155061950	390.08	RZPUVVFISYEUIM-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108315
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)C=C	PC-id_155062025	390.08	RZPUVVFISYEUIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108316
CC1=CC2=C(S1)NC(=O)[C@@H](N(C2)C(=O)OCC3=CC=CC=C3)OC(=O)OC	PC-id_161286877	390.089	OXAFTQVZIDZFIL-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108317
CC[C@@H]1CCC2=C(N(C=C2S(=N)(=O)N1)C)C(=O)NC3=CC(=NC(=C3)F)C#N	PC-id_154991286	390.127	FTQMRXQHWPXYNX-VQLJPOJZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-108318
C/C(=C/C(=C)C(F)(F)F)/C(=NC)c1nc2=CCC(=CN=c2n1C)C(F)(F)F	PC-id_164010625	390.128	UQWBDJXUMYJTBC-DBRGMQFJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-108319
CCOC(=O)C1=CN2CCCN(CC2=C1)C(=O)OCC3=CC(=CC(=C3)C)Cl	PC-id_160151571	390.135	PAPXXYHPEIBOLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108320
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CC(=NN4CC3)NC5=CC=CC=N5	PC-id_154685766	390.163	FQGMRXRIMRKQMG-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-108321
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CN(N=C4CC3)CC5=NC=CC=N5	PC-id_154685575	390.163	CJEOVDRYHBSENU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108322
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CN(N=C4CC3)CC5=NC=NC=C5	PC-id_154685823	390.163	QSZNVUCGQMMNRB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108323
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=NC(=CN4CC3)NC5=CC=CC=N5	PC-id_154685757	390.163	NOBPTZAURAXLLR-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-108324
BrC(c1sc2c(CCCCC2)c1)c1cc(Cl)c(Cl)cc1	PC-id_63444744	390.165	XMLQJILACKPYNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108325
BrC(c1sc2c(CCCCC2)c1)c1c(Cl)ccc(Cl)c1	PC-id_63444851	390.165	KKSMYHHMLGRNKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108326
BrC(c1sc2c(CCCCC2)c1)c1c(Cl)cc(Cl)cc1	PC-id_63443898	390.165	OAQMVKJDKQHPHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108327
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC=NO3	PC-id_155203676	390.19	QTLBLDTWWDIMKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108328
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CN=CO3	PC-id_155203599	390.19	IZIYBXUNLCKLPX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108329
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=COC=N3	PC-id_155203743	390.19	JICRIXNPNIKNNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108330
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)C3=CN=C(O3)C	PC-id_155203586	390.19	FAWZQSLRNLRSNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108331
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)C3=COC(=N3)C	PC-id_155203708	390.19	OZDNUEDNMCEGBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108332
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)C3=NOC(=C3)C	PC-id_155203667	390.19	QIGCXZNKJDBBRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108333
BrCC#Cc1c2n(CCCCC2CC=O)c(c1)C(=O)C(F)(F)F	PC-id_76023096	390.195	GYLBTLYVSQTGOS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-108334
BrCC#Cc1c2n(CCCC[C@@H]2CC=O)c(c1)C(=O)C(F)(F)F	PC-id_53360450	390.195	GYLBTLYVSQTGOS-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-108335
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NC=NN3	PC-id_155203771	390.202	DHKTXOIZGFWRFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108336
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NNN=C3	PC-id_155203764	390.202	OPCAZGQYFRIWSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108337
Ic1c(/C=C(c2n3CCCCCc3nn2)/C#N)cccc1	CoCoCo_3456334,PC-id_75362030	390.222	ZMZATLAKCMHOOR-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108338
Ic1c(C=C(c2n3c(CCCCC3)nn2)C#N)cccc1	PC-id_4054340,MCULE-6628305595,EMOLS-id_44488179	390.222	ZMZATLAKCMHOOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108339
Ic1ccccc1/C=C(C#N)/c1nnc2CCCCCn12	PC-id_5998871,CoCoCo_3456333,EMOLS-id_45972555	390.222	ZMZATLAKCMHOOR-JLHYYAGUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108340
BrCc1c(c2-c(c1C#N)ccccc2)C(=O)c1oc2c(c1)cccc2	PC-id_86216924	390.229	DWKFUUZBZHCXJI-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-108341
Brc1ccc2c(c1)nc(o2)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_102225997	390.231	YRWBCDUYJLLWHE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108342
Brc1cc(ccc1F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026767	390.231	MQVZWYBZTNVXEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108343
Brc1ccc(c(c1)F)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028544	390.231	KYVSITLINSQMJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108344
Brc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102026680	390.231	LIHIFMCQHHAPNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108345
Fc1cc(ccc1Br)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026740	390.231	GGQGRFKPXGTNJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108346
Fc1ccc(c(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2)Br	EMOLS-id_102028472	390.231	RZWVLUKSHJUSJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108347
Brc1ccc2c(c1)c(C)c(o2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102168160	390.235	XKKSVDXYUHTDJU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108348
Brc1cc(C)c2c(c1)cc(o2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102180999	390.235	IUNYIMABZUPVMW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108349
Cc1cc(Br)c2c(c1)cc(o2)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102179672	390.235	WNBMRGLZUQQROF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108350
O=C(c1nc(Br)n2ccccc12)N1Cc2nccn2C[C@@H](CO)C1	ZINC22_2325803378	390.235	CQFHQZGKUGBHSA-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108351
O=C(c1nc(Br)n2ccccc12)N1Cc2nccn2C[C@H](CO)C1	ZINC22_2325803379	390.235	CQFHQZGKUGBHSA-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-108352
Brc1ccc2n(c1)c(C(=O)NC1CCn3c(CC1)nnn3)c(n2)C	EMOLS-id_102177893	390.238	BBMGKUFAIKESJE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108353
Brc1ccc2n(c1)nc(n2)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_99403488	390.238	XAYDWPZIOFZMDD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108354
Brc1ccn2c(c1)nc(n2)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101851687	390.238	SUOBNIJZAZOROE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108355
CCCN(C)CC1(CCCC1)CNC(=O)C2=CC3=C(S2)CCCCCCC3	PC-id_160821041	390.27	OWEYVEFNDMYKMR-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-108356
CCC(C1NC(=O)/C(=C/c2c[nH]c3=CCC(=CC=c23)Br)/NC1=O)C	PC-id_142808866	390.274	NPYMWUFQLSBSGL-NVNXTCNLSA-N	00000000100010000111000000000010000000000000000000000000	31-01-108357
Brc1ccc(cc1)C1(CCC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_318225731	390.278	NDTXUAREQHHNBO-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-108358
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(n1)C1CC1)Br	EMOLS-id_101852965	390.278	TXANXNDJZGTYGH-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-108359
COc1ccc(c(c1Cl)Cl)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948592	390.285	ZRSBQVMOVNMJKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108360
[se]1nnc2[C@H](OC)[C@@H](OC)CN(CCc12)C(=O)CCC(=O)OC	PC-id_57611694	390.294	VIJMCINQBSFFOL-LKFCYVNXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108361
[se]1nnc2C(OC)C(OC)CN(CCc12)C(=O)CCC(=O)OC	PC-id_76625380	390.294	VIJMCINQBSFFOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108362
O=C(c1[nH]c2c(c1Br)cccc2)Nc1nc2c(s1)CCCCC2	PC-id_112838215	390.297	JRAMEXADFDFVQE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-108363
Cc1cc(c(s1)S(=O)(=O)N1CCCc2c(C1)cnn2C)Br	EMOLS-id_101948535	390.319	DXRVYGUZFZPLLM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-108364
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cc(c(s1)Br)C	EMOLS-id_101948613	390.319	PCOWHWHJFYXSNE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-108365
Brc1ccc(c(c1)C)CC1N(C)C(=NCCc2c1c(C)nn2C)N	SCHEMBL7890199,PC-id_70220060	390.321	OYNAFNDGEVKFAC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-108366
Brc1ccc(c(c1)NCc1nnc2n1CCCCC2)N1CCCC1	EMOLS-id_318311212	390.321	MONIHPCZFFPPML-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-108367
C1(C)(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)CC1(Cl)Cl	SPECS-id_AK-968/15605020,PC-id_5061210,EMOLS-id_4068110,TIMTEC95351,MCULE-8164295737	390.325	CEAGWFJCROJRGD-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-108368
CCOC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc2c1CCCCC2	CoCoCo_5829831,ZINC22_2090076,PC-id_1747356	390.325	CEAGWFJCROJRGD-INIZCTEOSA-N	00100000100000000100000000000010000000000000000000000000	31-01-108369
CCOC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc2c1CCCCC2	CoCoCo_5829832,ZINC22_2090075,PC-id_1747355	390.325	CEAGWFJCROJRGD-MRXNPFEDSA-N	00100000100000000100000000000010000000000000000000000000	31-01-108370
Brc1sc2CN(CC(Oc2c1C(C)C)C)C(=O)OC(C)(C)C	SCHEMBL9903470,PC-id_67959274	390.336	CRJZDWWNINZVLE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108371
Fc1cc(C(=O)N2CC(c3c([nH]c(c3)C(=O)O)C(=C2)C(=O)O)(C)C)ccc1F	PC-id_69566276,SCHEMBL5789803	390.338	WLNYDBFYTKZVMW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-108372
CCOC(=O)CONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O	PC-id_141055239	390.344	GGSPULWNJSQWRU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-108373
O=C(C1CCn2c(CC1)nnc2)Nc1ccn(n1)c1cccc(c1)C(F)(F)F	MCULE-9499900258,EMOLS-id_319821711	390.362	YPWPXFASOBQEGH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108374
CN(C1CCc2n[nH]c(=O)n2CC1)S(=O)(=O)c1ccccc1C(F)(F)F	EMOLS-id_97041602,MCULE-9914494222	390.381	LIAWDPIKUJVQLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108375
FC(F)Oc1c(OC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1OC	PC-id_78650382	390.384	KXWKKNDUFMAKGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108376
FC(F)Oc1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1OC	PC-id_8275478	390.384	KXWKKNDUFMAKGK-MDWZMJQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-108377
CCOC(=O)C1C(=CNc2c(cnn2C1(C(=O)OCC)OCC)C#N)C(=O)C	PC-id_135818362	390.39	JXQIVWJWVLEDBK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-108378
C1Cn2cc(nc2OCCN1Cc1cccc(n1)c1ccc(cc1)C#N)[N+](=O)[O-]	SCHEMBL14965893,PC-id_89580251	390.395	NEXKEMGQXBXZHG-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-108379
C1Cn2cc(nc2OCCN1Cc1cnc(cc1)c1ccc(cc1)C#N)[N+](=O)[O-]	PC-id_89580489,SCHEMBL14966215	390.395	NZUDXYVVXUEXPP-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-108380
C1Cn2cc(nc2OCCN1Cc1ncc(cc1)c1ccc(cc1)C#N)[N+](=O)[O-]	PC-id_89580093,SCHEMBL14965673	390.395	LXDITGULSGBENL-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-108381
N#Cc1ccc(cc1)c1cncc(c1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965790,PC-id_71570140	390.395	ZORJOOSDUGYHEE-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-108382
N#Cc1ccc(cc1)c1nccc(c1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_71570139,SCHEMBL14965508	390.395	ZWOSFYYPECHUKU-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-108383
O=C(c1ccc2c(c1)no[n+]2[O-])N1CCc2n(CC1)c(nn2)Cc1ccccc1	ChEMBL-DNDi_CHEMBL56953166	390.395	KZKXYTAJNVBFKQ-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-108384
[C-]#[N+]c1ccccc1Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	PC-id_140764733	390.399	ZERLSWGXTZDOGL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108385
N#Cc1ccccc1Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18372914	390.399	LMGYPBYTVHPNIH-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108386
C1CCc2nn(c(=O)n2CC1)CC(=O)NCC1(CCCC(C1)C(F)(F)F)O	EMOLS-id_49967132,PC-id_86803351,MCULE-6779555741	390.401	NCOMPCNPROKYOK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108387
O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1	PC-id_99778447,ZINC22_170086701	390.401	NCOMPCNPROKYOK-BLLLJJGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108388
O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1	PC-id_99778448,ZINC22_170086704	390.401	NCOMPCNPROKYOK-WBMJQRKESA-N	00000000100010000101000000000010000000000000000000000000	31-01-108389
O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1	ZINC22_170086699,PC-id_99778446	390.401	NCOMPCNPROKYOK-LRDDRELGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108390
O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1	ZINC22_170086707,PC-id_99778449	390.401	NCOMPCNPROKYOK-MLGOLLRUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108391
c1(C(=O)N2CCn3c(CC2)nc(Cc2ccccc2)n3)nnc(n2cnnc2)[nH]1	MCULE-7437505476,EMOLS-id_337773373,ZINC22_2356147869	390.402	UVIMPYWMUMIEGH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108392
c1([nH]nc(C(=O)N2CCn3c(CC2)nc(Cc2ccccc2)n3)c1)n1cnnn1	MCULE-4224640205,EMOLS-id_337814132,ZINC22_2356164850	390.402	JGKGCDGLYHVVAB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108393
N#Cc1c(NC(=O)COC(=O)c2c(F)cccc2F)sc2c1CCCCC2	MCULE-3789510813,PC-id_2436448,ZINC22_3320801,EMOLS-id_3101721,CoCoCo_2922504	390.404	NVRQPFQVEXOXOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108394
O=C(NCc1nnc2n1CCOCC2)NCC1CCN(CC1)CC(F)(F)F	MCULE-1128650768,EMOLS-id_320320203	390.404	XLQGTRNMBLUCER-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108395
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(F)cc(F)c1)C#N	PC-id_4449637	390.404	ZIPOFAPIPCPIMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108396
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(F)cc(F)cc1)C#N	PC-id_4528147	390.404	LZCVVCNDARKTSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108397
c1(C(=O)OC)sc(c2OCCOCCOCCOCCOc12)C(=O)OC	ZINC22_584905849,MCULE-7579975614,PC-id_121596983,EMOLS-id_190370169	390.405	MZUWVCMQSPWEHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108398
s1c2c(nc1Nc1c(OC)cccc1)c(C=C1C(=O)C=CC=C1)c(=O)nnc2	PC-id_73318289	390.415	CAGOZTMSQVMMKH-UHFFFAOYSA-N	00000000100011110111000000000010000000000000000000000000	31-01-108399
S(c1n2CCCCCc2nn1)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	PC-id_29460931	390.417	AGQKXSOEZOIJAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108400
O=C(N1CN(C(=O)C1)CCC(F)(F)F)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101432082	390.424	YXXXDKBCUAHYRB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108401
O=C(NC1CCCN(C1=O)CC(F)(F)F)Nc1nc2c(s1)CCCCC2	EMOLS-id_101182811	390.424	SDWUQJRQDLJQRZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108402
O=C(NC1CCN(C1=O)CC(F)(F)F)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101074612	390.424	QRGKPYNPIMNDLN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108403
CC(NC(C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)F)F)O)C	PC-id_145087393	390.427	QHHUBXZOSSFLQP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-108404
CCO[C@@H]1C[C@@H](Cc2oc(C(=O)C[C@@H](/C=C
/C=O)O)cc2C(=O)OC)C(=C)C	PC-id_102169060	390.427	QFTPOTZNXQVPCF-HNFVRREWSA-N	00000000100000000110000000000010000000000000000000000000	31-01-108405
O=C(COC(=O)c1cc2c(s1)CCCCC2)NC(=O)Nc1ccccc1F	PC-id_7351973,EMOLS-id_43413600,CoCoCo_2861329,ZINC22_4767774,MCULE-3979460984	390.429	QAYWHYCQPNUOSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108406
s1c2CCCCCc2cc1C(=O)OCC(=O)NNC(=O)c1ccc(F)cc1	PC-id_16509418	390.429	GFFXAXMZEIBMJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108407
s1c2CCCCCc2cc1C(=O)OCC(=O)NNC(=O)c1c(F)cccc1	PC-id_7351994	390.429	CFDFUOBUZHYEFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108408
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(F)cc1)C(=O)NC(=O)OC	PC-id_7521868	390.429	WROWVMWHHXFDHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108409
s1c2c(CCCCC2)c(c1NC(=O)c1cc(F)ccc1)C(=O)NC(=O)OC	PC-id_7521869	390.429	UXVLIYMGGRLXJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108410
s1c2c(CCCCC2)c(c1NC(=O)c1c(F)cccc1)C(=O)NC(=O)OC	PC-id_7521888	390.429	KADRNJLUUGUGOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108411
Fc1cc(CC2CCN(CC2)C(=O)NC2CCn3c(CC2)nnn3)cc(c1)F	EMOLS-id_102106991	390.43	ZKMKAZKMBHUSSJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108412
Fc1ccc(c(c1)CC1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2)F	EMOLS-id_102107003	390.43	JIIJQWYTRTZXME-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108413
O=C(N1CCC(CC1)Cc1cccc(c1F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102106997	390.43	GFVNLHQTOLMFNV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108414
O=C(N1CCC(CC1)Cc1c(F)cccc1F)NC1CCn2c(CC1)nnn2	EMOLS-id_102107000	390.43	TVAHZYCHWBTINF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108415
CCC(C1COc2c(SN1)cn(c2C(=O)Nc1ccc(c(c1)C#N)F)C)O	SCHEMBL21337104,PC-id_139471108	390.432	XWIMBNLZSHIYAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108416
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)/C=Cc1ccccn1	CoCoCo_5709899	390.432	CSDWCMACKYCMES-FLIBITNWSA-N	00000010100000101110000000000010000000000000000000000000	31-01-108417
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)/C=C/c1ccccn1	PC-id_6277558,CoCoCo_5709900,NSC647066	390.432	CSDWCMACKYCMES-DHZHZOJOSA-N	00000010100000101110000000000010000000000000000000000000	31-01-108418
CCOC(=O)c1cc(c2-c1ccc(cc2)N=Nc1ccc(cc1)C)C(=O)OCC	PC-id_101760651	390.432	MWENTZBTEZGHCQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-108419
O(C(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)C=Cc1ncccc1)CC	PC-id_372121	390.432	CSDWCMACKYCMES-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-108420
O=C(OCC)c1cc(c2-c1ccc(/N=N/c1ccc(cc1)C)cc2)C(=O)OCC	CT-id_4037544	390.432	MWENTZBTEZGHCQ-OCOZRVBESA-N	00000010100000110110000000000010000000000000000000000000	31-01-108421
COCCn1nc2CCN(CCn2c1=O)C(=O)Cc1ccc(OC)c(OC)c1	EMOLS-id_50589989,MCULE-9006285770,PC-id_91910659	390.434	PDBDLYNPDZJPRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108422
c12C(=O)NCC(O)Cn1nc(C(=O)N(C)Cc1ccc(cc1)c1ccccc1)c2	EMOLS-id_82743693,PC-id_119074925,MCULE-2074166171	390.435	YZWORLSPTZKEQU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108423
C1Cc2coc(c2C1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	PC-id_137639503	390.435	ZLPGEAMHRNPZJZ-UHFFFAOYSA-N	00000010100000110101000010000010000000000000000000000000	31-01-108424
C1C(Cn2c(cc(n2)C(=O)NCC(c2ccccc2)c2ccccc2)C(=O)N1)O	PC-id_135101471	390.435	ASCGOOBZXYURQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108425
CN(Cc1ccc(c2ccccc2)cc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426739148	390.435	YZWORLSPTZKEQU-GOSISDBHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108426
CN(Cc1ccc(c2ccccc2)cc1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426739149	390.435	YZWORLSPTZKEQU-SFHVURJKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108427
COc1ccc(cc1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	MCULE-4372302947,PC-id_50798093,EMOLS-id_32845992	390.435	VYRNGCIVHLOMEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108428
O(CC1NC(=O)c2nn(cc2NC1)CCc1ccccc1)C(=O)c1ccccc1	PC-id_75116423	390.435	ACRGRIGCKJHGMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108429
O=C(N1CCCn2nc(cc2C1)C(=O)Nc1ccccc1)[C@H](O)c1ccccc1	PC-id_50948090	390.435	AMHRMWFYVWPMIG-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108430
O=C(N1CCCn2nc(cc2C1)C(=O)Nc1ccccc1)C(O)c1ccccc1	PC-id_75588039	390.435	AMHRMWFYVWPMIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108431
O=C(OC[C@H]1CNc2cn(CCc3ccccc3)nc2C(=O)N1)c1ccccc1	PC-id_45486103,CHEMBL570880	390.435	ACRGRIGCKJHGMI-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108432
c1(C(=O)NCC(CC)O)cn2c(CCN(CC2)C(=O)Cc2c(C)[nH][nH]c2=O)n1	MCULE-5941471679,EMOLS-id_331129098	390.437	NSCYMOHOBXTMIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108433
CC1CCN(C(C1N(C)C1=NC(C(Nc2c1cc[nH]2)C)O)(O)O)C(=O)CC#N	PC-id_91469032	390.437	QLIVSWFGJJNGRJ-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-108434
CC[C@@H](O)CNC(=O)c1cn2c(n1)CCN(C(=O)Cc1c(O)n[nH]c1C)CC2	ZINC22_1875242105	390.437	NSCYMOHOBXTMIE-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108435
CC[C@H](O)CNC(=O)c1cn2c(n1)CCN(C(=O)Cc1c(O)n[nH]c1C)CC2	ZINC22_1875242106	390.437	NSCYMOHOBXTMIE-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108436
O=C1NC(=O)C(N1)(C)C1CCN(CC1)C(=O)Cn1nc2n(c1=O)CCCCC2	MCULE-4153443161,PC-id_72108349,EMOLS-id_42923171	390.437	RGWLZXDIPBFORC-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-108437
O=C(NC1CC1)C(=O)N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55800420	390.437	IJIYTQHGNVQMNX-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-108438
Cc1ccccc1C(=O)N1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	MCULE-6405519866,PC-id_42323453,EMOLS-id_232704755,ZINC22_11971682	390.438	BTKJRTKOCOYBEL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108439
c1(C(F)F)c2CCCc2n(CC(=O)Nc2sc3CCCCCc3c2C#N)n1	MCULE-4745986858,PC-id_19591017,EMOLS-id_8867537,TIMTEC90041,ZINC22_36613973	390.45	BYBFUZDRBILOEL-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-108440
c1(NC(=O)CCC(=O)O)sc2c(CCCCC2)c1C(=O)NCc1ccco1	ZINC22_17079640,EMOLS-id_4068366,PC-id_17379569,TIMTEC576691,MCULE-5196999034,CoCoCo_6833909	390.453	YPABCYNLKYVRSW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-108441
COC(=O)c1c(NC(=O)COC(=O)c2cccn2C)sc2c1CCCCC2	MCULE-5353113328,EMOLS-id_11802937,PC-id_3966787,CoCoCo_2832357,ZINC22_5205024	390.453	QBOOCTDHTHDGEL-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-108442
O=C(c1ccccc1S(=O)(=O)N1CCCc2occc2C1)N1CCOCC1	ZINC22_585083774,MCULE-9067184022,EMOLS-id_177242261	390.453	KIFAIAHQZQQEGX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108443
O=C(c1ccccc1S(=O)(=O)N1CCOCC1)N1CCCc2c(C1)cco2	EMOLS-id_99420901	390.453	QVRJMNGXYFDSQQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108444
s1c2c(CCCCC2)c(c1NC(=O)CCNC(=O)c1ccoc1)C(=O)OC	PC-id_52638621	390.453	XDXGOQOUGKRJQL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-108445
s1c2c(CCCCC2)c(c1NC(=O)CN(C(=O)c1occc1)C)C(=O)OC	PC-id_52598460	390.453	VUTLDYYVUHFNFO-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-108446
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)NCc1occc1	PC-id_7618433	390.453	YWISLMPOEJAPBP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-108447
Cc1noc(c1C)c1ccc(o1)S(=O)(=O)NCc1n[nH]c2CCCCCc12	ZINC22_670444022,EMOLS-id_222760646,MCULE-3599931987	390.457	KQYUWGGNUPBTQD-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-108448
CN(C)c1ncc(cc1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(O)OC	PC-id_91125908	390.457	RVKPDBWPYGSEOO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-108449
O=C1NCCCn2cc(cc12)S(=O)(=O)Nc1ccc(cc1)N1CCOCC1	PC-id_53182838,EMOLS-id_33086486,MCULE-8294034156	390.457	DTVKGLVOMWPGOD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108450
s1c2CCCCCc2cc1C(=O)NNC(=O)c1nn(CCOC)c(=O)cc1	PC-id_24554128	390.457	UVFSXANVTAJWOX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-108451
s1c2c(CCCCC2)c(c1NC(=O)c1nn(c(c1)C)C)C(=O)NC(=O)OC	PC-id_16952250	390.457	JPUYIYCHZKCPCR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108452
S1(=O)(=O)N(C(C(C)C)C(=O)OC)Cc2nnn(c2C=C1)Cc1ccccc1	PC-id_72667739	390.457	DFMPPRKZQIMFSL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-108453
S1(=O)(=O)N([C@@H](C(C)C)C(=O)OC)Cc2nnn(c2C=C1)Cc1ccccc1	PC-id_60158160	390.457	DFMPPRKZQIMFSL-KRWDZBQOSA-N	00000000100000110111000000000010000000000000000000000000	31-01-108454
S(=O)(=O)(NCCc1n2CCCCCc2nn1)c1ccc(cc1)/C=C/C(=O)O	PC-id_17568472	390.457	WJGMVVWTCXHDOU-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108455
S(=O)(=O)(NCCc1n2CCCCCc2nn1)c1ccc(cc1)C=CC(=O)O	PC-id_73399083	390.457	WJGMVVWTCXHDOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108456
c1(C#N)c2CCCCCc2sc1N=Cc1cccn1c1ccc(cc1)N(=O)=O	PC-id_1421361,MCULE-4861403461	390.458	UVOBLNMRGPRIFM-UHFFFAOYSA-N	00000000110000110100100000000010000000000000000000000000	31-01-108457
N#Cc1c(/N=C/c2cccn2c2ccc(cc2)[N+](=O)[O-])sc2c1CCCCC2	ZINC22_4807409,PC-id_9619234,STOCK1S-74378,EMOLS-id_26256361	390.458	UVOBLNMRGPRIFM-OEAKJJBVSA-N	00000000110000110100100000000010000000000000000000000000	31-01-108458
CC(=O)N1C(C)Cc2c1ccc(c2)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026590	390.46	VHPULQYHUQFUBY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-108459
O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102170009	390.46	HGFNWHPWZMZHCT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-108460
O=C([C@H]1CCCN1S(=O)(=O)c1ccccc1)NC1CCn2c(CC1)nnn2	EMOLS-id_102175442	390.46	AJEWSLQREUBFJJ-AWKYBWMHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-108461
s1c2CCCCCc2cc1C(=O)NNC(=O)c1nnn(CC(=O)N(C)C)c1	PC-id_56050137	390.46	NRZAXQZJLVAMGJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108462
s1c(NC(=O)C2N(CCC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ncc1	PC-id_55670198	390.46	TWLWWOSMFSDMNZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108463
S(c1n2CCCCCc2nn1)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1	PC-id_8332801	390.46	GTIUBEAMCMALDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108464
O=C(N1CCN(CC1)C(=O)Cn1cnnn1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98146672	390.463	PSWXRRFNDUZWLC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108465
s1c2CCCCCc2cc1C(=O)Nc1scc(n1)c1cc(F)c(F)cc1	PC-id_7917541	390.47	VTFXSAILKCNPOM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108466
COc1ccc(c(c1)OC)C(=O)c1cc(c2-c1cc(ccc2C)C(C)C)C(=O)C	PC-id_102042069	390.472	ATGXIMXKMUBOCT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-108467
COC(=O)C(C(=O)OC)CCc1c2-c(c(c1C)Cc1ccccc1)ccccc2	PC-id_139771651	390.472	SAHCWIWZGQNYTJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-108468
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1cc(F)c(OC)cc1	PC-id_46671792	390.472	WUYYVCKRURFSSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108469
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCOc1c(F)cccc1	PC-id_52715108	390.472	KHRWLQKFJUQMAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108470
CCNC(=NCc1cc(F)ccc1F)NCCCc1nnc2n1CCCCC2	PC-id_111902519	390.473	YYBGJEVTXPAJRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108471
CN=C(NC(c1ccc(cc1F)F)C)NCCCc1nnc2n1CCCCC2	PC-id_111323800	390.473	BRBXWUPGLPTGTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108472
CN=C(NC(c1ccc(c(c1)F)F)C)NCCCc1nnc2n1CCCCC2	PC-id_111324336	390.473	WCVJYXVBULXIFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108473
CN=C(NCCc1cc(F)ccc1F)NCCCc1nnc2n1CCCCC2	PC-id_112075302	390.473	WFGGCBIGSINQRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108474
O=C(OC(C)(C)C)NCCc1c[nH]c2c1C=C(CC=C2)OC(=O)OC(C)(C)C	PC-id_142207754	390.473	YVUCMAGAGLPPMN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-108475
s1c2c(CCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_4322752	390.473	OKQSNZTXVSFHIS-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-108476
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_40421737	390.473	OKQSNZTXVSFHIS-QWHCGFSZSA-M	00000000100011000100000000000010000000000000000000000000	31-01-108477
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_40421739	390.473	OKQSNZTXVSFHIS-CHWSQXEVSA-M	00000000100011000100000000000010000000000000000000000000	31-01-108478
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_40421741	390.473	OKQSNZTXVSFHIS-STQMWFEESA-M	00000000100011000100000000000010000000000000000000000000	31-01-108479
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_40462263	390.473	OKQSNZTXVSFHIS-OLZOCXBDSA-M	00000000100011000100000000000010000000000000000000000000	31-01-108480
s1c(NC(=O)C2C3CC(C2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)OC	PC-id_73136015	390.473	SRWNKGYXOWZYBF-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-108481
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)OC	PC-id_11894902	390.473	SRWNKGYXOWZYBF-BVIHXZOGSA-M	00000010100010000100000000000110000000000000000000000000	31-01-108482
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)OC	PC-id_11894904	390.473	SRWNKGYXOWZYBF-PKIAMQTDSA-M	00000010100010000100000000000110000000000000000000000000	31-01-108483
s1c(NC(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)OC	PC-id_20024313	390.473	SRWNKGYXOWZYBF-AZHAFVHUSA-M	00000010100010000100000000000110000000000000000000000000	31-01-108484
s1c(NC(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)OC	PC-id_20024315	390.473	SRWNKGYXOWZYBF-GVARAGBVSA-M	00000010100010000100000000000110000000000000000000000000	31-01-108485
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C(C)C)C)CC2)cc1	PC-id_42501522	390.475	RNOQSOHSJDSNCK-CQSZACIVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-108486
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C(C)C)C)CC2)cc1	PC-id_42501524	390.475	RNOQSOHSJDSNCK-AWEZNQCLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-108487
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3C(NC(=O)C(C)C)C)CC2)cc1	PC-id_74808311	390.475	RNOQSOHSJDSNCK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-108488
O=C(N1CCC(CC1)Oc1ncccc1F)Nc1nc2c(s1)CCCCC2	EMOLS-id_101145587	390.475	ASDRKFOXGWWWTM-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-108489
s1c2CCCCCCc2nc1NC(=O)CNC(=O)NCc1ccc(F)cc1	PC-id_56036996	390.475	HMMQGKLNQOAXNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108490
S(CC(=O)NCCc1n2CCCCCc2nn1)c1c(F)cc(cc1)C(=O)C	PC-id_55536095	390.475	MSTQRTHJGXZOFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108491
c1(CN(C)C(=O)CCC2(CCC(=O)N2)CCC(=O)O)c2CCCCCc2[nH]n1	MCULE-3948900278,PC-id_91766893,EMOLS-id_55622204	390.477	NMQWLNVOWGZFTJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108492
c1(C(=O)O)cc2n(CCCN(C2)C(=O)[C@H]2CCCC[C@H]2C(=O)NC(C)(C)C)n1	MCULE-3210569486,PC-id_50962546,ZINC22_65399278,EMOLS-id_32395502	390.477	UOTSXILGFKURBY-CABCVRRESA-N	00000000100010000101000000000010000000000000000000000000	31-01-108493
Cc1c(C(=O)NCCC(=O)O)cn2c1C(=O)N(CCC1CCNCC1)CCC2	CHEMBL343677,PC-id_44362922,BindingDB_PC-id_44362922	390.477	IBMGVKCAMOANKP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108494
C[C@H](C(=O)O)CNC(=O)c1cc2n(c1)CCCN(C2=O)CCC1CCNCC1	PC-id_141815006	390.477	WLHRDMPNDKWOBT-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108495
CCOC(=O)N1CCN(CC1)CCCCn1ccc2c1C(=O)N(C)CCC2=O	PC-id_20085255,SCHEMBL6987477	390.477	DAFXCNJYYMRRAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108496
CN(Cc1n[nH]c2c1CCCCC2)C(=O)CC[C@]1(CCC(=O)O)CCC(=O)N1	PC-id_100031096,ZINC22_218978429	390.477	NMQWLNVOWGZFTJ-FQEVSTJZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108497
CN(Cc1n[nH]c2c1CCCCC2)C(=O)CC[C@@]1(CCC(=O)O)CCC(=O)N1	ZINC22_218978392,PC-id_100031095	390.477	NMQWLNVOWGZFTJ-HXUWFJFHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108498
COC(=O)c1c(NC2=NS(=O)(=O)c3ccccc23)sc2c1CCCCC2	PC-id_2400902,EMOLS-id_3077783,MCULE-5488868507,ZINC22_3285373,CoCoCo_3783621	390.477	MCGMSHREMHIAKJ-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-108499
O=C(N1CCCn2nc(cc2C1)C(=O)O)C1C(CCCC1)C(=O)NC(C)(C)C	PC-id_75591001	390.477	UOTSXILGFKURBY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108500
C1Cc2cnnn2COC[C@@H](NC(=O)[C@@H]1Cc1ccccc1)Cc1ccccc1	PC-id_134828880	390.478	GCRQLEHINYBJQK-SFTDATJTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108501
C1CN(CCc2c1nc(o2)C(=O)NCc1ccncc1)CCCc1ccccc1	PC-id_134806551	390.478	LKIQSOIDYCGKAH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108502
c1(CN(C)C(=O)c2ccc(cc2)c2ccncc2OC)c2CCCCCc2[nH]n1	ZINC22_2356166283,MCULE-1785686810,EMOLS-id_337823099	390.478	QSNCYNYREOAFHO-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-108503
c1(C(=O)C2CC2)c2ccccc2n(CC(=O)NCc2c3CCCCCc3[nH]n2)c1	MCULE-4341050275,EMOLS-id_222760628,ZINC22_670444009	390.478	KDZAGFFXPWKUIH-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-108504
Cc1cccc(c1)COc1ccc(c(c1)C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316730802	390.478	BSUOMDBEEHMZDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108505
Cc1cccc(COc2cccc(C(=O)NCc3nnc4n3CCCCC4)c2)c1	ZINC22_24986925,PC-id_32296339,MCULE-9957065705,EMOLS-id_17217716,CoCoCo_4625800	390.478	ZVKJOEXHKYWLKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108506
C[C@@H]1COCn2c(cnn2)CC[C@H](C(=O)N1)Cc1ccc(cc1)c1ccccc1	PC-id_134828874	390.478	JXGXIRMIHZGELK-UTKZUKDTSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108507
C[C@H]1COCn2c(cnn2)CC[C@@H](C(=O)N1)Cc1ccc(cc1)c1ccccc1	PC-id_134828892	390.478	JXGXIRMIHZGELK-LAUBAEHRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108508
Fc1cnc(nc1)N1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101106594	390.478	YZUYUSBRZMCVFT-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-108509
n1c(CCc2ccccc2)nn2CCN(C(=O)Cc3ccc(cc3)CO)CCc12	EMOLS-id_337818485,MCULE-1395638055,ZINC22_2356164826	390.478	ILIYKAZBZSXLSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108510
n1c(CCc2ccccc2)nn2CCN(C(=O)CCc3ccc(cc3)O)CCc12	EMOLS-id_337766397,MCULE-4885860059,ZINC22_2356136031	390.478	DKELSYMTOSAAGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108511
N[C@@H](CC(=O)N1CCCn2nc(CO)cc2C1)c1ccc(c2ccccc2)cc1	ZINC22_2325792317	390.478	UJGZDYQRWFMWLO-QFIPXVFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108512
O1C[C@@H](NC(=O)[C@@H](CCc2n(nnc2)C1)Cc1ccc(cc1)c1ccccc1)C	PC-id_71759038	390.478	JXGXIRMIHZGELK-UWJYYQICSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108513
O1C[C@H](NC(=O)[C@H](CCc2n(nnc2)C1)Cc1ccc(cc1)c1ccccc1)C	PC-id_71759400	390.478	JXGXIRMIHZGELK-DYESRHJHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108514
O1C[C@H](NC(=O)[C@@H](CCc2n(nnc2)C1)Cc1ccccc1)Cc1ccccc1	CHEBI:130585,PC-id_54649822	390.478	GCRQLEHINYBJQK-LEWJYISDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108515
O1C[C@@H](NC(=O)[C@H](CCc2n(nnc2)C1)Cc1ccccc1)Cc1ccccc1	PC-id_54649823,CHEBI:127248	390.478	GCRQLEHINYBJQK-RTWAWAEBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108516
O1C[C@H](NC(=O)[C@H](CCc2n(nnc2)C1)Cc1ccccc1)Cc1ccccc1	PC-id_54649824,CHEBI:127010	390.478	GCRQLEHINYBJQK-NHCUHLMSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108517
O1C[C@@H](NC(=O)[C@H](CCn2nnc(C1)c2)Cc1ccccc1)Cc1ccccc1	CHEBI:126270,PC-id_54649811	390.478	YTMMXCOCLAUKDR-RTWAWAEBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108518
O1C[C@H](NC(=O)[C@@H](CCn2nnc(C1)c2)Cc1ccccc1)Cc1ccccc1	CHEBI:126366,PC-id_54649809	390.478	YTMMXCOCLAUKDR-LEWJYISDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108519
O1C[C@@H](NC(=O)[C@@H](CCn2nnc(C1)c2)Cc1ccccc1)Cc1ccccc1	PC-id_54649810,CHEBI:129070	390.478	YTMMXCOCLAUKDR-SFTDATJTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108520
O1C[C@H](NC(=O)[C@H](CCn2nnc(C1)c2)Cc1ccccc1)Cc1ccccc1	PC-id_54649812,CHEBI:128568	390.478	YTMMXCOCLAUKDR-NHCUHLMSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108521
O1CC(NC(=O)C(CCc2n(nnc2)C1)Cc1ccccc1)Cc1ccccc1	PC-id_76161088	390.478	GCRQLEHINYBJQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108522
O1CC(NC(=O)C(CCn2nnc(C1)c2)Cc1ccccc1)Cc1ccccc1	PC-id_76161084	390.478	YTMMXCOCLAUKDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108523
Oc1cccc(c1)C(C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2)C	MCULE-1729239917,EMOLS-id_258199903	390.478	OSCIIJXKGWABEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108524
O=c1n2CCCCCc2nn1CC(=O)N(Cc1ccccc1)c1ccc(cc1)C	PC-id_30840565	390.478	PHJLCZKOBGLHBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108525
O=c1n2CCCCCc2nn1CC(=O)N(Cc1ccc(cc1)c1ccccc1)C	PC-id_55580295	390.478	LZKKMGWNFDLLLC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108526
O=c1n2CCCCCc2nn1CC(=O)N(Cc1ccccc1)Cc1ccccc1	PC-id_55477733	390.478	UUFDYCKWTOCKCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108527
O=c1n2CCCCCc2nn1CC(=O)NC(Cc1ccccc1)c1ccccc1	PC-id_55585257	390.478	LNZQDGCYJYJZFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108528
O=c1n2CCCCCc2nn1CC(=O)N(CCc1ccccc1)c1ccccc1	PC-id_56138421	390.478	AGRZAOXFZJWGAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108529
O=C1NCCCOCc2nnn(CC[C@H]1Cc1ccc(cc1)c1ccccc1)c2	PC-id_71760332	390.478	IAEAQIDJNDWKKV-NRFANRHFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108530
O=C1NCCCOCc2nnn(CC[C@@H]1Cc1ccc(cc1)c1ccccc1)c2	PC-id_71760608	390.478	IAEAQIDJNDWKKV-OAQYLSRUSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108531
O=C(C1CCn2c(CC1)nnc2)NCc1ccc(cc1)COCc1ccccc1	EMOLS-id_320304267,MCULE-7101542214	390.478	IEAZKENGJBOWLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108532
O=C(C1CCn2c(CC1)nnc2)NCc1cccc(c1)COCc1ccccc1	MCULE-4787664431,EMOLS-id_319909298	390.478	WITKRAQFMBAQEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108533
O=C(c1noc2c1CCCCC2)N1CCc2c(C1)ncn2CCc1ccccc1	EMOLS-id_101031418	390.478	RREAMBCZRRUPLL-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-108534
O(CC(=O)NCCc1n2CCCCCc2nn1)c1c(c2ccccc2)cccc1	PC-id_51307478	390.478	VMOWTSHJZMRGBI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108535
O(C(C(=O)NCCc1n2CCCCCc2nn1)c1ccccc1)c1ccccc1	PC-id_60544284	390.478	PVZPPNYMUXYWCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108536
O=C(NCCc1n2CCCCCc2nn1)c1c(COc2ccccc2)cccc1	PC-id_55535033	390.478	KHWRRPWWYMKGKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108537
c12CN(CCCn1nc(CNC(=O)[C@@H]1CCCN1C(=O)CC)c2)C(=O)N(C)C	ZINC22_91625356,MCULE-4184432227,EMOLS-id_46057009,PC-id_72881997	390.48	XRBLROIJXIOOCH-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108538
c1(C(=O)Nc2sc3c(ccc(c3)S(=O)(=O)C)n2)c2CCCCCc2[nH]n1	EMOLS-id_323254456,MCULE-9612857345	390.48	ZAZCHMUAHSLFIZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108539
c1(C(=O)N[C@H]2CN3[C@H](CO[C@H](C3)CC(=O)N(C)C)C2)nnc2CCCCCn12	ZINC22_1857722904,MCULE-1630161264,EMOLS-id_330471701	390.48	OTHZGENXRRRSEQ-ILXRZTDVSA-N	00000010100010000101000000000110000000000000000000000000	31-01-108540
COCCn1nc2CCC(CC(=O)N(C)Cc3cn(C)nc3C)CCn2c1=O	MCULE-5741542441,EMOLS-id_207877421	390.48	HRMNHVQNSXMMHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108541
O=C(c1cc2c(s1)n(C)c(=O)n(c2=O)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_101202600	390.48	CSIOTSJIOXBSNC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108542
s1c2CCCCCc2cc1C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1	PC-id_8658431	390.48	GNKVVADQXCUHEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108543
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c2c([nH]c1)nccc2	PC-id_60560809	390.48	GKIHDVZGQGDFDG-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-108544
s1c2CCCCCc2c(c1NC(=S)NC(=O)CN1C(=O)CCC1=O)C#N	PC-id_23792447	390.48	SLZJGAGYNPWLRX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-108545
s1c2CCCCCCc2c(c1NC(=O)CSc1[nH]c(=O)cc(O)n1)C#N	PC-id_17307806	390.48	USZMPWPACKNCCH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-108546
c1(cn2c(CCNCC2)n1)C(=O)N1CC(CCc2ccccc2)c2c([nH]cn2)C1	MCULE-3272689887,PC-id_164689337	390.481	FYFPZVFADVUCGB-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-108547
Cc1cc(C)cc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c1	MCULE-7406925972,ZINC22_20920319,ChEMBL-DNDi_CHEMBL37063664,PC-id_29219972,CoCoCo_1334746,EMOLS-id_20543939,CoCoCo_1334747	390.481	CWAXLLQLFWTVSM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108548
Cc1cc(CN2CCc3n(CC2)c(nn3)CNC(=O)c2ccncc2)cc(c1)C	ChEMBL-DNDi_CHEMBL19692327	390.481	IDMJEJXCROLISB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108549
CC(c1ccccc1)CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccn1	MCULE-1268020646,EMOLS-id_20545369,PC-id_45203823	390.481	IQSXJWFLWUFNTJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108550
CC(c1ccccc1)CN1CCn2c(CC1)nnc2CNC(=O)c1ccncc1	ChEMBL-DNDi_CHEMBL16606883,PC-id_45165879	390.481	PAXCBRDUYIGWTD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108551
CCc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1	MCULE-6391768965,PC-id_26348986,ZINC22_14993713,CoCoCo_1389877,CoCoCo_1389876,EMOLS-id_20580997	390.481	ZZXOPOHRBXZGTR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108552
C[C@H](c1ccccc1)CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccn1	CoCoCo_1336743,CoCoCo_1336745	390.481	IQSXJWFLWUFNTJ-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108553
C[C@@H](c1ccccc1)CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccn1	CoCoCo_1336744,CoCoCo_1336742	390.481	IQSXJWFLWUFNTJ-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108554
CN(CC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1)Cc1ccncc1	MCULE-2443321291,EMOLS-id_337791623,ZINC22_2356167272	390.481	LQUFUGBSEPDBGS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108555
n12CCN(CCc1nnc2CNC(=O)c1ccccn1)CCCc1ccccc1	CoCoCo_1148485,ZINC22_12099322,EMOLS-id_20412546,CoCoCo_1148486,PC-id_42406874,MCULE-8499450421	390.481	WQNBFHKGDDNJBD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108556
n12CCN(CCc1nnc2CNC(=O)c1ccncc1)CCCc1ccccc1	ZINC22_12041803,EMOLS-id_232725711,ChEMBL-DNDi_CHEMBL27456774,MCULE-4405057380,PC-id_42372693	390.481	IZSZXJIRFIHHJD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108557
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)C1CCn2c(ccn2)C1	EMOLS-id_337820477,MCULE-5362900849	390.481	RVRXMAKAEGPGOR-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-108558
NC(=NCCc1nnc2n1CCCCC2)Nc1cccc(c1)Oc1ccccc1	PC-id_111597992	390.481	DOCKXPYWIOZPBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108559
O=C(c1cccc(c1)NCc1ccccn1)NCCc1nnc2n1CCCCC2	EMOLS-id_316661620	390.481	XEQSUFUMUYRNNB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108560
O=C(C1CCn2c(C1)cnc2)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_99880811	390.481	UFBJIGIGGDIHRM-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-108561
O=C(C1CCn2c(C1)ncc2)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_99880865	390.481	LCLFOCIPEMMQLT-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-108562
O=C(c1cnn(c1)CC1CC1)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	MCULE-4113359952,EMOLS-id_319874299	390.481	MYCBUSCBPGFMKZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-108563
O=C(Cc1ccccc1)NCc1nnc2n1CCN(CC2)Cc1cccc(n1)C	ChEMBL-DNDi_CHEMBL46500299	390.481	HBFBURSHYSPJLM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108564
O=C([C@@H]1CCn2nccc2C1)N1CCc2nc(CCc3ccccc3)nn2CC1	ZINC22_2356150223	390.481	RVRXMAKAEGPGOR-GOSISDBHSA-N	00000000100010110101000000010010000000000000000000000000	31-01-108565
O=C([C@H]1CCn2nccc2C1)N1CCc2nc(CCc3ccccc3)nn2CC1	ZINC22_2356150224	390.481	RVRXMAKAEGPGOR-SFHVURJKSA-N	00000000100010110101000000010010000000000000000000000000	31-01-108566
O=C(N1CCc2c(C1)ncn2CCc1ccccc1)C1CCn2c(CC1)nnc2	MCULE-6961907373,EMOLS-id_320142659	390.481	NWMFPDOSECTGJE-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-108567
O=C(NCc1n2CCN(CCc2nn1)Cc1c(cc(cc1)C)C)c1ncccc1	PC-id_30853631	390.481	UORPUTZQUOCELK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108568
O=C(NCc1n2CCN(CCc2nn1)Cc1cc(c(cc1)C)C)c1ncccc1	PC-id_30854136	390.481	DWJJNSVFVSJYHA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108569
O=C(N(Cc1nnc2n1CCCCC2)C)c1cccc(c1)NCc1ccccn1	MCULE-9641149584,EMOLS-id_316461923	390.481	ORIGHYRVGBSUGL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108570
CC(C(=O)N1CCCC1)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165097	390.483	QAHWUIDTQNGCJN-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-108571
Cn1nnnc1c1cccc(c1)S(=O)(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_100968886	390.483	BVLIBFBSJKWPMO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108572
N#Cc1c(NC(=O)CSc2nnc(c(=O)n2N)C)sc2c1CCCCC2	GD-id_ZINC31818184	390.483	HFHOLNOLHPFHBQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-108573
O=C(N1CCN(CC1)CC(=O)N1CCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102183186	390.483	OEEYDFYFOUBCDH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108574
O=S(=O)(c1ccc(cc1)n1cnnn1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_97731253	390.483	UIPSPCRPUZSDLU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108575
S(c1n2CCCCCc2nn1)CCCN1C(=O)C2[N+](=CN=C2N(C1=O)C)C	PC-id_78559217	390.483	WRXZIXIZADECEL-UHFFFAOYSA-N	00000011100010000101000000000110000000000000000000000000	31-01-108576
O1CCOCCOCCOCc2c(COCCOCCOCC1)csc2	NSC633519,PC-id_365665,CoCoCo_5692529	390.492	XCPILXRGQGSXNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108577
s1c2CCCCCc2cc1C(=O)OCC(=O)c1ccc(c2ccccc2)cc1	PC-id_7352140	390.495	RNAKGXHFYQAWBW-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-108578
s1c2c(CCCCC2)c(c1Nc1sc2c(n1)ccc(F)c2)C(=O)OCC	PC-id_43968572	390.495	CKKSHHWYLTVJOK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108579
s1c2c(CCCCC2)c(c1Nc1sc2c(n1)c(F)ccc2)C(=O)OCC	PC-id_43968413	390.495	RFZNVBLCVNUZEW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108580
c1(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c(CCCCC2)c1C(=O)N	TIMTEC475136,PC-id_17378824,EMOLS-id_4068513,MCULE-4444409201	390.496	UFRIOHINGOWWGP-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-108581
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)[C@@H](C(=O)O)C1	CoCoCo_6834364,PC-id_27521543,ZINC22_17079693	390.496	UFRIOHINGOWWGP-KBPBESRZSA-N	00000000100011000100000000000010000000000000000000000000	31-01-108582
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)[C@@H](C(=O)O)C1	PC-id_27521541,CoCoCo_6834366,ZINC22_17079692	390.496	UFRIOHINGOWWGP-KGLIPLIRSA-N	00000000100011000100000000000010000000000000000000000000	31-01-108583
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)[C@H](C(=O)O)C1	PC-id_27521545,ZINC22_17079694,CoCoCo_6834367	390.496	UFRIOHINGOWWGP-ZIAGYGMSSA-N	00000000100011000100000000000010000000000000000000000000	31-01-108584
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)C1	PC-id_27521547,CoCoCo_6834365,ZINC22_17079695	390.496	UFRIOHINGOWWGP-UONOGXRCSA-N	00000000100011000100000000000010000000000000000000000000	31-01-108585
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCCc3occc3C2)c1	MCULE-6979537564,ZINC22_585084019,EMOLS-id_177237840	390.496	WFLMINXTLVSTFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108586
s1c2c(CCCCC2)c(c1NC(=O)C1CN(CC2CC2)C(=O)C1)C(=O)OC	PC-id_75889199	390.496	QBQULLUFXMLOOK-UHFFFAOYSA-N	00100010100000000100000000000010000000000000000000000000	31-01-108587
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1CN(CC2CC2)C(=O)C1)C(=O)OC	PC-id_52638583	390.496	QBQULLUFXMLOOK-CYBMUJFWSA-N	00100010100000000100000000000010000000000000000000000000	31-01-108588
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1CN(CC2CC2)C(=O)C1)C(=O)OC	PC-id_52638584	390.496	QBQULLUFXMLOOK-ZDUSSCGKSA-N	00100010100000000100000000000010000000000000000000000000	31-01-108589
s1c2CCCCCc2nc1NC(=O)CCc1cc(OC)c(OC)c(OC)c1	PC-id_30208368	390.496	ZWABXYABRLFZPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108590
c1(c2CCCCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1	ZINC22_2904523,PC-id_2251896,MCULE-6677712982,CoCoCo_81724,BAS-00486729,EMOLS-id_1230919	390.498	KJGBQASGCGSRLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108591
c1(NC(=O)c2ccc(cc2)c2ccccc2)sc2c(CCCCC2)c1C(=O)N	CoCoCo_5015392,PC-id_4120992,SPECS-id_AN-153/I178229,MCULE-5954889881,ZINC22_4134721,EMOLS-id_1775758	390.498	VZWLUJVWSGZWQU-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-108592
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc23)cc1	BindingDB_PC-id_11269308,CHEMBL360272,PC-id_11269308,SCHEMBL6989046,GLL_PC-id_11269308	390.498	RAUFXRRMDGEHCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108593
Fc1ccc(OCc2nc(CSc3nnc4n3CCCCC4)cs2)cc1	EMOLS-id_11849431,MCULE-1116232468,PC-id_16383278,ZINC22_9217918,CoCoCo_4173142	390.498	IPQXJCQPJIATAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108594
O=C(Cc1ccccc1)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	SCHEMBL6991954,PC-id_21467165	390.498	JSFIIOMZPNLGPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108595
c12CN(CCCn1nc(CNS(=O)(=O)C)c2)Cc1ccc2c(CC(O2)C)c1	MCULE-2823279982,EMOLS-id_44727286,PC-id_70752825	390.5	KTHZXQZMXBPROY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-108596
Cc1cc(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)cc(S(=O)(=O)N)c1C	PC-id_50966156,ZINC22_55243445,EMOLS-id_32225542,MCULE-9326646697	390.5	RXGAZEGHQTZXFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108597
CC1OC(C)CN(C1)Cc1csc(n1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100944657	390.5	OLKSDLRZXUEIKJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108598
CCCCn1c(N)c(N(C)C(=O)c2cc3c(s2)CCCCC3)c(=O)[nH]c1=O	ZINC22_7986399,PC-id_9115397,ChEMBL-DNDi_CHEMBL1435795,MCULE-6580807790,EMOLS-id_11698248,CoCoCo_3300006,CHEMBL1435795	390.5	AWBIARZVXLFBNV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-108599
C[C@@H]1Cc2cc(CN3CCCn4nc(CNS(=O)(=O)C)cc4C3)ccc2O1	ZINC22_91694073	390.5	KTHZXQZMXBPROY-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-108600
C[C@H]1Cc2cc(CN3CCCn4nc(CNS(=O)(=O)C)cc4C3)ccc2O1	ZINC22_91694074	390.5	KTHZXQZMXBPROY-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-108601
CCOc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1OCC	ZINC22_6097966,CoCoCo_3081991,EMOLS-id_11721179,PC-id_7877269,MCULE-6198558249	390.5	UHIGDUGTDVHXFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108602
CCOC(=O)c1c(C)[nH]c(c1C)/C(=C(/Sc1nnc2n1CCCCC2)C)/O	CoCoCo_3081945,CoCoCo_3081948	390.5	WLTPXFJEKXCQJK-LGMDPLHJSA-N	00000000110000000101000000000010000000000000000000000000	31-01-108603
CCOC(=O)c1c(C)[nH]c(c1C)/C(=C(Sc1nnc2n1CCCCC2)/C)/O	CoCoCo_3081946,CoCoCo_3081947	390.5	WLTPXFJEKXCQJK-GHRIWEEISA-N	00000000110000000101000000000010000000000000000000000000	31-01-108604
CCOC(=O)c1c(C)[nH]c(c1C)C(=O)C(Sc1nnc2n1CCCCC2)C	PC-id_16269292,EMOLS-id_3649785,MCULE-4438736511	390.5	PZKJYXNUCUSDLK-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-108605
CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc3n2CCCCC3)c1C	CoCoCo_3081944,ZINC22_6097906,PC-id_7877226	390.5	PZKJYXNUCUSDLK-CYBMUJFWSA-N	00000000110000000101000000000010000000000000000000000000	31-01-108606
CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc3n2CCCCC3)c1C	ZINC22_6097907,CoCoCo_3081943,PC-id_7877227	390.5	PZKJYXNUCUSDLK-ZDUSSCGKSA-N	00000000110000000101000000000010000000000000000000000000	31-01-108607
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)N1CC[N+](CC1)(C)C)C	PC-id_122580411,SCHEMBL18103500	390.5	ZXQSZPDDPDQAIL-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-108608
CCS(=O)(=O)c1cccc(CNC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)c1	MCULE-6565642966,ZINC22_888101973,EMOLS-id_316876781	390.5	RZFTYXKBGOCJTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108609
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccccc1C	MCULE-4761796240,EMOLS-id_97099976	390.5	HJCVJFMVBZJCJT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-108610
CN(C1CCc2nn(c(=O)n2CC1)CC1CC1)S(=O)(=O)Cc1ccccc1	PC-id_91922746	390.5	GARMFLSBPAWPGQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-108611
CN(C)C(=O)c1cccc(c1)S(=O)(=O)N(C)Cc1n[nH]c2CCCCCc12	EMOLS-id_49900743,ZINC22_216536964,PC-id_77098325,MCULE-3748509349	390.5	QWKWUVZHAZUMCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108612
COc1ccc(c(c1)C(NC(=O)CSc1nnc2n1CCCCC2)C)OC	PC-id_17500957,MCULE-2306197251,EMOLS-id_13482446	390.5	OQRISDXRWRISKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108613
COc1ccc(cc1OC)CNC(=O)C(Sc1nnc2n1CCCCC2)C	MCULE-5389521523,EMOLS-id_11843828,PC-id_16381032	390.5	WYVBUZJGSASOMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108614
COc1cccc(CN(C)C(=O)CSc2nnc3n2CCCCC3)c1OC	ZINC22_14241008,CoCoCo_3082138,MCULE-5074284409,PC-id_17475634,EMOLS-id_13556797	390.5	XQOVIGCJYKFSBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108615
COc1ccc(CN(C)C(=O)CSc2nnc3n2CCCCC3)cc1OC	EMOLS-id_13554050,MCULE-2808668422,CoCoCo_3082137,ZINC22_6098232,PC-id_7877451	390.5	MQUSXTIFHLSWFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108616
COc1ccc(CNC(=O)[C@@H](C)Sc2nnc3n2CCCCC3)cc1OC	PC-id_40973126,CoCoCo_4173145,ZINC22_9219014	390.5	WYVBUZJGSASOMM-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108617
COc1ccc(CNC(=O)[C@H](C)Sc2nnc3n2CCCCC3)cc1OC	ZINC22_9219013,PC-id_40973125,CoCoCo_4173146	390.5	WYVBUZJGSASOMM-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108618
COc1ccc(OC)c([C@H](C)NC(=O)CSc2nnc3n2CCCCC3)c1	CoCoCo_4054365,PC-id_25648286,ZINC22_12983858	390.5	OQRISDXRWRISKF-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108619
COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nnc3n2CCCCC3)c1	ZINC22_12983855,CoCoCo_4054366,PC-id_25648283	390.5	OQRISDXRWRISKF-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108620
O=C1NCC(Cc2c1cn(n2)CCN(S(=O)(=O)C)Cc1ccccc1)(C)C	EMOLS-id_318332800	390.5	OAJGIKHAJREFLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108621
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s1c2CCCCCc2cc1C(=O)NNC(=O)CCCc1onc(n1)CCC	PC-id_52294734	390.5	ABFSOEPBQDLJBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108623
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O=C(NCC(N1CCC(CC1)C)C(C)C)NCCc1n2CCCCCc2nn1	PC-id_75822185	390.566	PCADGTWZWZUSME-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108796
O=C(NCC(N1CCCCCC1)C(C)C)NCCc1n2CCCCCc2nn1	PC-id_75807280	390.566	MERMYKYTQFLTIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108797
CCCCN(C)C(=O)C1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1	ZINC22_40155963,CoCoCo_4949433,EMOLS-id_30065725,MCULE-4613650574,PC-id_45915709	390.583	GNARIAFOHFVPMP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-108798
s1c2c(CCCCCC2)cc1C(=O)NC1CCN(CC1)C(=O)C(CC)CC	PC-id_52717931	390.583	AURRPIWIQOFRKE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-108799
s1c(C(=O)N2CCC(CN3CC(OC(C3)C)C)CC2)cc2c1CCCCC2	PC-id_56412377	390.583	QLTBZWRLYPTPNL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108800
s1c2CCCCCc2nc1NC(=O)c1ccc(C2SCCCS2)cc1	PC-id_24603992	390.586	GZTOQMNHIXPEJV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108801
s1c2C(=O)CCCCCCCCCCCCCCCCCCC(=O)c1cc2	PC-id_16081283	390.622	FBIPQEANTBIKHW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-108802
COc1cc(cc(c1OC)OC)C(=O)c1coc2c1c(=O)cc(c(c2)Cl)O	PC-id_91260272	390.771	FDOOJSKDDXRQRU-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-108803
Brc1sc(C(NC)c2sc3c(CCCCC3)c2)cc1Cl	PC-id_80530757	390.789	CZCUQZXAHDBIDS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-108804
CNC(c1cc(c(s1)Cl)Br)c1cc2c(s1)CCCCC2	PC-id_102828321	390.789	SZEBNNNCMIEGQV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-108805
O=C(c1c(C)onc1c1c(F)cccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102168169	390.799	AOZGRTQOQGHJKV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108806
O=C1CC(C(N1C)c1ccc(c(c1)F)Cl)C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99398094	390.836	FNAXIHGTXLKRJY-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-108807
c12C(=O)NCC(O)Cn1nc(C(=O)NCc1sc3c(cccc3)c1Cl)c2	MCULE-8906236676,PC-id_119062531,EMOLS-id_82710499	390.844	FVWKPLDHTZCECZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108808
O=C(NCc1sc2ccccc2c1Cl)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426429740	390.844	FVWKPLDHTZCECZ-SECBINFHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108809
O=C(NCc1sc2ccccc2c1Cl)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426429742	390.844	FVWKPLDHTZCECZ-VIFPVBQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-108810
Clc1ccc(c(c1)NC(=O)c1noc2c1CCCCC2)OCC1CCCO1	EMOLS-id_100102794	390.861	BXSKSMMWJWTGHJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-108811
c12c(n(cn1)CCCCC(C(=O)O)Cc1cc(Cl)ccc1)NC=NCC2O	PC-id_10524475,CHEMBL433444,BindingDB_PC-id_10524475	390.864	ILCBREXWAFCKSC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-108812
c12C(=O)NCC(O)Cn1nc(C(=O)N(CCCC)Cc1ccc(cc1)Cl)c2	EMOLS-id_82732021,PC-id_119070565,MCULE-6886848556	390.864	BUBOWHXFKWISSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108813
c12C(=O)NCC(O)Cn1nc(C(=O)N(CCCC)Cc1cccc(Cl)c1)c2	MCULE-9142636304,PC-id_119060738,EMOLS-id_82705675	390.864	QVRSNLTWHUKAGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108814
CCCCN(Cc1cccc(Cl)c1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426402019	390.864	QVRSNLTWHUKAGU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108815
CCCCN(Cc1cccc(Cl)c1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426402022	390.864	QVRSNLTWHUKAGU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108816
CCCCN(Cc1ccc(Cl)cc1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426599466	390.864	BUBOWHXFKWISSU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108817
CCCCN(Cc1ccc(Cl)cc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426599467	390.864	BUBOWHXFKWISSU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108818
Clc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)OCC1CCCO1	EMOLS-id_319047191	390.864	QQALSMXCDMZNGA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-108819
Clc1ccc(CC(CCCCn2c3C(O)CN=CNc3nc2)C(=O)O)cc1	PC-id_10715464	390.864	UPEYVPKPVBOANU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-108820
Clc1cc(CC(CCCCn2c3C(O)CN=CNc3nc2)C(=O)O)ccc1	PC-id_10644149	390.864	UDKQREQTKLFRJF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-108821
Clc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCCOC)cc1	CoCoCo_2544633,PC-id_20964797	390.864	NQAHHENOLSYBJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108822
COc1c(ccc(c1)Cl)C(=O)NC1CCc2nn(c(=O)n2CC1)CC1CC1	EMOLS-id_50586751,PC-id_91922675,MCULE-3401692886	390.864	LLHZKBXDZIGWJR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-108823
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)Cc1ccc(Cl)cc1	BindingDB_PC-id_10739186,PC-id_10739186,CHEMBL37142	390.864	OMOZKOPPDRRUQY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-108824
Clc1ccc(Oc2cc(/C=C(/c3n4CCCCCc4nn3)C#N)ccc2)cc1	PC-id_29154562	390.865	UCPSCGAHFGFQRM-GHRIWEEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-108825
Clc1ccc(Oc2cc(C=C(c3n4CCCCCc4nn3)C#N)ccc2)cc1	PC-id_74588800	390.865	UCPSCGAHFGFQRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108826
CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)c1ncc(Cl)cn1)CCC2	EMOLS-id_313787448,ZINC22_1565554006	390.867	ITLOZIZGJIZMSL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-108827
Clc1c(N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc([N+](=O)[O-])c1	PC-id_46697819	390.867	BTFVQUFUIVYDBH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108828
COc1ccc(c(c1)N1CCN(CC1)C(=O)C1CCn2c(CC1)nnn2)Cl	EMOLS-id_316917936,MCULE-2144251230	390.867	WCWDGPZCIZWESS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108829
COc1ccc(Cl)c(N2CCN(C(=O)[C@@H]3CCc4nnnn4CC3)CC2)c1	ZINC22_652527616	390.867	WCWDGPZCIZWESS-CYBMUJFWSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108830
COc1ccc(Cl)c(N2CCN(C(=O)[C@H]3CCc4nnnn4CC3)CC2)c1	ZINC22_652527617	390.867	WCWDGPZCIZWESS-ZDUSSCGKSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108831
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cc1Cl)F	MCULE-7949173218,ZINC22_92028049,PC-id_72931781,EMOLS-id_46093351	390.882	CCLCEULVADZTSE-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-108832
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(cc1F)Cl	EMOLS-id_46034001,MCULE-9106634508,ZINC22_91326769,PC-id_72849956	390.882	GSNQIITUOZJWIV-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-108833
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1c(cccc1F)Cl	ZINC22_91626221,PC-id_72883066,MCULE-1693378786,EMOLS-id_46057817	390.882	MKIDNWJYIMYNQE-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-108834
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1cccc(Cl)c1F	MCULE-3316627661,EMOLS-id_46050275,PC-id_72872693,ZINC22_91563238	390.882	JTVLWMFIYASMEL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-108835
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(c(Cl)c1)F	ZINC22_91781860,PC-id_72907281,EMOLS-id_46075503,MCULE-8095640498	390.882	QWIGTUZHQYSALU-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-108836
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1ccc(c(F)c1)Cl	MCULE-7634397556,EMOLS-id_46039871,ZINC22_91440989,PC-id_72858158	390.882	VRMOYJPCLCRKEH-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-108837
Clc1cc2CC(Oc2cc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_55440433	390.884	VVJCAGVWOYAKBJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-108838
Clc1ccc(cc1)C(=O)N1CSCC1C(=O)N1CCCc2c(C1)cco2	EMOLS-id_99419614	390.884	OMELLTYFNRBNQD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-108839
Clc1ccc(cc1)NC(=O)c1c(NC(=O)C(=O)C)sc2c1CCCCC2	SCHEMBL4147401,PC-id_68931438	390.884	RKGRRHAAPVXHMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108840
Clc1ccc2nnc(CCCC(=O)Nc3nc4CCCCCc4s3)n2n1	MCULE-9821703504,EMOLS-id_323468493	390.89	HLQXLYDMXWNEKW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108841
Clc1ccc(s1)c1nn(cc1C(=O)NCc1nnc2n1CCCCC2)C	EMOLS-id_100225168	390.89	MDFGASDSZGXRSA-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-108842
Clc1nc2sccn2c1CN1CCCn2nc(cc2C1)C(=O)NC1CC1	PC-id_50976375,MCULE-6710621487,EMOLS-id_32421528,ZINC22_65467546	390.89	IAZATAUGHVCIJJ-UHFFFAOYSA-N	00100000100000000101000100000010000000000000000000000000	31-01-108843
Clc1ccc(Cn2c3C(O)(CCCCc3nc2C(C)(C)C)CC(=O)O)cc1	SCHEMBL14563724,PC-id_71205913	390.904	IQVDFRDDQAEIAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108844
CC(C)C[C@@H]1COCc2cn(CC[C@H](C(=O)N1)Cc1cc(ccc1)Cl)nn2	PC-id_134828882	390.907	SOHYHTLQVKWNGI-FUHWJXTLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108845
CC(C)C[C@@H]1COCc2cn(CC[C@H](C(=O)N1)Cc1ccc(cc1)Cl)nn2	PC-id_134828897	390.907	INWBHXLTXVZQBY-FUHWJXTLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108846
CC(C)C[C@@H]1COCc2cn(CC[C@@H](C(=O)N1)Cc1ccc(cc1)Cl)nn2	PC-id_134828898	390.907	INWBHXLTXVZQBY-SJLPKXTDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108847
Clc1ccc(c(c1)NCc1nnc2n1CCCCC2)OCC1CCCCO1	EMOLS-id_100818155	390.907	GINWDGJAMGDXTG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-108848
Clc1cc(C(C)C)c(OCC(=O)NCc2n3CCCCCc3nn2)cc1C	PC-id_51266288	390.907	HWPKRGKMPQSEAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108849
Clc1ccc(C[C@@H]2CCn3nnc(COC[C@@H](NC2=O)CC(C)C)c3)cc1	PC-id_71759500	390.907	INWBHXLTXVZQBY-WMZOPIPTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108850
Clc1ccc(C[C@H]2CCn3nnc(COC[C@@H](NC2=O)CC(C)C)c3)cc1	PC-id_71760772	390.907	INWBHXLTXVZQBY-AEFFLSMTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108851
Clc1cc(C[C@H]2CCn3nnc(COC[C@H](NC2=O)CC(C)C)c3)ccc1	PC-id_71759135	390.907	SOHYHTLQVKWNGI-SJLPKXTDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108852
Clc1cc(C[C@@H]2CCn3nnc(COC[C@@H](NC2=O)CC(C)C)c3)ccc1	PC-id_71759690	390.907	SOHYHTLQVKWNGI-WMZOPIPTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108853
Clc1cc(C[C@H]2CCn3nnc(COC[C@@H](NC2=O)CC(C)C)c3)ccc1	PC-id_71760869	390.907	SOHYHTLQVKWNGI-AEFFLSMTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108854
Clc1ccc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)(CC)CC)cc1	PC-id_56443621	390.907	NSNOTVQGHHFAMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108855
Clc1cc(c(OCCCC(=O)NCCc2n3CCCCCc3nn2)cc1)C	PC-id_51307439	390.907	HSFVRPIDHGUKOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108856
Clc1c(cc(OCCCC(=O)NCCc2n3CCCCCc3nn2)cc1)C	PC-id_51307467	390.907	DLKSEIKORUKBSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108857
COc1ccc(cc1C(NC(=O)C1CCn2c(CC1)nnc2)CC(C)C)Cl	EMOLS-id_319017397	390.907	ATIZNKLXUXMLLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108858
CN=C(NCc1nnc2n1CCCCC2)NCC(Oc1ccc(cc1)Cl)C	PC-id_111680196	390.91	JKJPJYMLURMEDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108859
CN=C(N(CCOc1ccc(cc1)Cl)C)NCc1nnc2n1CCCCC2	PC-id_111308298	390.91	CTXBHVDMHAXFTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108860
COc1ccc(c(c1)Cl)CCNC(=NC)NCc1nnc2n1CCCCC2	PC-id_109786940	390.91	IDGMMILLIAEOCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108861
NCCc1cn(c2c1C=C=CC=C2)S(=O)(=C)c1c(Cl)nc2n1ccs2	PC-id_143160833	390.91	DPZWOHWIRQSUBU-UHFFFAOYSA-N	00000000100000000111000100000010000000000000000000000000	31-01-108862
Clc1cc(C2CCN(CC2)CCCc2onc3c2CCCCC3)ccc1F	SCHEMBL7964115,PC-id_59939442	390.922	ZKXLFACYZIURNB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108863
Clc1ccc(c(c1)F)C1CCN(CC1)CCCc1onc2c1CCCCC2	SCHEMBL7959539,PC-id_59939449	390.922	XGDYVJUJZPDKLU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108864
Clc1c(F)cc(C2CCN(CC2)CCCc2onc3c2CCCCC3)cc1	SCHEMBL7960891,PC-id_59939435	390.922	LXGJZOCADFKLAS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108865
Clc1cc(C2CCN(CC2)CCCc2n3CCCCCc3nn2)ccc1F	PC-id_59939395,SCHEMBL7959264	390.925	PYKRSOGJQGDNLM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108866
Clc1ccc(c(c1)F)C1CCN(CC1)CCCc1nnc2n1CCCCC2	SCHEMBL7963490,PC-id_59939414	390.925	KVBJAVDFJGITQN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108867
Clc1c(F)cc(C2CCN(CC2)CCCc2n3CCCCCc3nn2)cc1	SCHEMBL7959555,PC-id_59939431	390.925	ILZHIOXBURBAPH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108868
Clc1c(NC(=O)c2sc3CCCCCCc3c2)cc(NC(=O)CC)cc1	PC-id_55799324	390.927	HLHLTNGNUVIKLG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108869
Clc1c(NC(=O)CN(C(=O)c2sc3CCCCCCc3c2)C)cccc1	PC-id_9145548	390.927	LXEQQRXYQDPRGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108870
Clc1sc(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_8500355	390.928	LVOMKWALXGJUEI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-108871
Clc1cc(c(/N=c/2sc(=S)n3n2CCS(=O)(=O)CC3)nc1C)C	PC-id_18717171	390.932	XMCFYHNXVBIXEH-VBKFSLOCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-108872
c1(NC(=O)c2cc(ccc2Cl)SC)sc2c(CCCCCC2)c1C#N	EMOLS-id_5129004,PC-id_4182843,MCULE-2510837443,TIMTEC358277,CoCoCo_5834296,ZINC22_2767713	390.95	OLHPPXIHARVAJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108873
Clc1ccc(SCCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_7545716	390.95	GJMNUCSPCDYWLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108874
Clc1ccc(C2CCN(CC2)CCCc2n3CCSCCc3nn2)cc1	PC-id_59939419,SCHEMBL8569171	390.973	JMCAWDXVPGQCBN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108875
COc1c(B)cc(cc1Br)CC1C(=O)NCCc2c1nc([nH]2)NC	SCHEMBL7602167	391.071	XWBJXHAPEVXNHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108876
[Sn](c1c2-c(c(OC(=O)C(C)(C)C)cc2)cccc1)(C)(C)C	PC-id_11234708	391.083	KOGGYAIHIWWHGD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-108877
Brc1c(Cl)c(OC2CCNCc3oc(cc23)C)cc(Cl)c1	PC-id_68028524,SCHEMBL10078545	391.087	MBFWSJDLCPTGCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108878
Brc1c(Cl)c(OC2CCN(Cc3occc23)C)cc(Cl)c1	PC-id_68411429	391.087	CCATZKXYZRHPOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108879
CC1=C(C=CC(=C1)NC(=O)C2=C3C=C[C@@H](NS(=O)(=O)C3=CN2C)C(=O)C)F	PC-id_147365584	391.1	DICDMBVXZPMJNF-OAHLLOKOSA-N	00000000100000110111000000000010000000000000000000000000	31-01-108880
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CC(=NN4CC3)NC5=NC=CC=N5	PC-id_154685670	391.158	AFMCHKXAYXODAB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108881
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CC(=NN4CC3)NC5=NC=NC=C5	PC-id_154685782	391.158	LPIPSJZHCGHOCP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108882
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=NC(=CN4CC3)NC5=NC=CC=N5	PC-id_154685751	391.158	UQXXAVQHXPMVIN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108883
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=NC(=CN4CC3)NC5=NC=NC=C5	PC-id_154685639	391.158	BGGIFUKYDZTIQD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108884
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NON=C3	PC-id_155203738	391.186	FRTNKTZPBXVFKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108885
Brc1c(ncnc1C(F)(F)F)NCc1nnc2n1CCCCC2	MCULE-9404821322,EMOLS-id_316406750	391.19	YHDRNFGDLHFOTO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-108886
CC(C)C[C@@H]1CCC2=C(N(C=C2S(=N)(=O)N1)C)COCNC3=CC=NC=C3	PC-id_154991321	391.204	RRMWFDSNVUKOBU-CJKOFORZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-108887
CCN1C2=C(C(C(CCCC2)CC3=CC=C(C=C3)C(=O)OC(C)C)(F)F)N=N1	PC-id_155054507	391.207	VGRMPVPPKUXEJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108888
CC1=NN2CCN([C@H](C2=N1)CC3=CC=CC=C3)C(=O)C4=NN=C5N4CCCCC5	PC-id_165423482	391.212	JWJQGHHJQWHWOT-KRWDZBQOSA-N	00000000100010110101000000010010000000000000000000000000	31-01-108889
Brc1n(c2c(n1)c(=O)n(c(=O)n(c2=O)C)C)Cc1ccc(cc1)C	PC-id_23903891	391.219	DXRKQIGXSYNCQP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-108890
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(C3=NC=CN3)O	PC-id_155203739	391.222	TUATWBDEUWKVRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108891
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3CCCC3	PC-id_155203734	391.247	PAEJKLIXFSPROZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108892
CCn1c2c(CCCOCCCNC2=O)c(n1)CCI	PC-id_135133784,SCHEMBL20279989	391.248	XARDMNKAAIBSAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108893
CC(C)OC(C1=CN(CC(C2=C1NN=C2)(C)C)C(=O)N3CCCN(CC3)C)O	PC-id_155149129	391.258	YSPBQQDDAIOILX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-108894
O=C(Cn1nc2c(c1)C(=O)NCC(C2)(C)C)Nc1ccc(cc1)Br	MCULE-8839897634,EMOLS-id_316445211	391.262	QYARFXSMNDZEIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108895
O=C(Nc1cc2CCCc2cc1Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102001803	391.266	LALPQEWHHMIDMS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-108896
CN(C1CCc2n[nH]c(=O)n2CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1	EMOLS-id_96055611,MCULE-6140239081	391.273	JTBCYGHAQWBMIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108897
Clc1cc(ccc1Cl)c1ccc(o1)CNCc1nnc2n1CCCCC2	PC-id_121846683	391.294	FCRDLOWUABRECS-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-108898
CC/C(=C/C(=CC=C/C)/C1=NCC2=NC=C(N2/C(=C/C(=C(/C)CC)/C)/C1C)C)/C	PC-id_155237172	391.299	LBXADTIKYKVQRU-YCNBNQRFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-108899
Brc1ccc(c(c1)C(C)C)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101943690	391.305	OJLVCNIYCCGNQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108900
Brc1ccc(cc1)C(CNC(=O)C1CCn2c(CC1)nnc2)(C)C	MCULE-1789682176,EMOLS-id_320319338	391.305	CVHODWYIJUAIBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108901
Brc1ccc(cc1)CN(C(=O)C1CCn2c(CC1)nnc2)C(C)C	EMOLS-id_316639081	391.305	VTACKXIKJKPXBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108902
Brc1cc(C)c(c(c1)C)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101722269	391.305	SIAUUGRPRTZAHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108903
Brc1c(CCC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_52337889	391.305	JSEWLMJBGCQICE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108904
CC1N=C(C(=CCC=Nc2cc(nn12)C)CC=CCC=CCO)Br	PC-id_91058045	391.305	MCXNWVASGXBTDO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-108905
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1nc(c(s1)Br)C	EMOLS-id_101948601	391.307	DZSOWKGSKNGGKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108906
c1(C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2CCCCCc2[nH]n1	EMOLS-id_335106712,MCULE-4660061478	391.311	OVFCSDYMNYQAIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108907
ICCCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_107322247	391.311	AKILGJLHQFQOHK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-108908
ICC(C(C)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_114010037	391.311	AQJSTRYHBNPWCX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-108909
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C#N	MCULE-2790250671,PC-id_1925979	391.314	MCQXUFDEDLQDDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108910
c1(NC(=O)C=Cc2c(cccc2Cl)Cl)sc2c(CCCCC2)c1C#N	PC-id_1741519,MCULE-4519814295	391.314	HOWWKWDFTPHNCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108911
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCCCC2)c1C#N	PC-id_1743150,MCULE-9218972759	391.314	BQJCWDUOVQUGSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108912
Clc1ccc(/C=CC(=O)Nc2sc3CCCCCc3c2C#N)cc1Cl	ZINC22_4628367,CoCoCo_6920107,EMOLS-id_26781085,TIMTEC83209,SPECS-id_AK-968/12265005	391.314	BQJCWDUOVQUGSY-CLFYSBASSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108913
Clc1ccc(/C=CC(=O)Nc2sc3CCCCCc3c2C#N)c(Cl)c1	SPECS-id_AK-968/12386832,CoCoCo_228686,EMOLS-id_26781293,ZINC22_4628566	391.314	MCQXUFDEDLQDDO-CLFYSBASSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108914
Clc1ccc(/C=C/C(=O)Nc2sc3CCCCCc3c2C#N)c(Cl)c1	ZINC22_2308203,STOCK3S-14782,EMOLS-id_25820019,PC-id_1925980,BAS-02052757,CoCoCo_228685	391.314	MCQXUFDEDLQDDO-VQHVLOKHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108915
Clc1cccc(Cl)c1/C=C/C(=O)Nc1sc2CCCCCc2c1C#N	EMOLS-id_26496915,CoCoCo_5816017,SPECS-id_AK-968/12097006,PC-id_1741520,ZINC22_2082331,TIMTEC197987	391.314	HOWWKWDFTPHNCB-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108916
Clc1cc(/C=C/C(=O)Nc2sc3CCCCCc3c2C#N)ccc1Cl	CoCoCo_6920108,PC-id_1743151	391.314	BQJCWDUOVQUGSY-VQHVLOKHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108917
N#Cc1c(NC(=O)/C=Cc2c(Cl)cccc2Cl)sc2c1CCCCC2	CoCoCo_5816018	391.314	HOWWKWDFTPHNCB-KTKRTIGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108918
BrCc1c2c(sc1C)N(Cc1ccc(cc1)C)C(=O)CN=C2C	PC-id_59936957	391.325	SYZFJMKIKBJDNW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-108919
COC(=O)Oc1c(NC(=O)C)c(c2-c1ccc(cc2)CC(=O)O)OC(=O)OC	SCHEMBL8334518,PC-id_17776145	391.329	VIWUJRGZWXFAJK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-108920
O=C(c1n(C)cc2c1CC(F)(F)CNS2(=O)=O)Nc1ccc(c(c1)F)F	SCHEMBL18357755	391.341	AMSCFZJIRKBBPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108921
CCc1cc2n(n1)CCCN(C2)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16103519,PC-id_90463541	391.354	XHCOYQKYJGZVQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108922
BrCCCCCCCCOCC1(C)COc2c(OC1)csc2	SCHEMBL13492514,PC-id_89100622	391.363	FHLOOSIUBJUBNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108923
COc1cc(c2noc(CN3CCCc4occc4C3)n2)ccc1OC(F)F	EMOLS-id_177309688,ZINC22_585083913,MCULE-1533724047	391.369	BXULCBLRPXVQNI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-108924
CCNOCCONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O	PC-id_141055247	391.375	IFCKPLLJHGAQGS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-108925
C=C/C=C(C(=C/C)C(F)(F)F)/C(=O)n1c2=CC=CCC=c2c(c1C)CC(=O)O	PC-id_143113790	391.384	CYTRXLHJBJTXNI-YEFQHUEJSA-N	00000000100000000110000000000010000000000000000000000000	31-01-108926
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1cccc(c1)C(F)(F)F	PC-id_90625632	391.389	MASJAXGMAWMVKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108927
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1ccc(cc1)C(F)(F)F	PC-id_90625633	391.389	KRLUATXNBAAYET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108928
CN(C(=O)c1cnc2n1CCCCC2)Cc1[nH]c2c(n1)cc(cc2)C(F)(F)F	EMOLS-id_278439796	391.39	AGDLPDXOEJUGAW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108929
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1n(c2c(n1)cccc2)C	PC-id_19523633	391.39	KHHMCUZISJJJED-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-108930
O=C(C(=O)Nc1nc2c(s1)CCCCC2)N1CCC(CC1)(O)C(F)(F)F	EMOLS-id_111812873	391.409	ZTXKEKRDBHBSAP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108931
O=C(N1C[C@H]([C@@H](C1)C(F)(F)F)C(=O)O)Nc1sc2c(n1)CCCCCC2	PC-id_122092693	391.409	YNCDZPDOCNKADK-NXEZZACHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-108932
FC(Oc1ccccc1N1CCC(C1)NC(=O)c1noc2c1CCCCC2)F	EMOLS-id_100100766	391.412	XNLWFZYCJMMCQL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-108933
Fc1c(C(=O)NCCCC(=O)NCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_24676672	391.415	NJANERSNHINSDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108934
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cc(F)c(c(c1)F)N1CCCC1	PC-id_87027665	391.415	CFMAGSVHTVVIMD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-108935
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(F)c(cc1N1CCOCC1)F	EMOLS-id_101861141	391.415	IEMQLAUNIDBVLW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108936
CCOC(=O)c1cc2c(n1C=O)cccc2OCc1coc2=CC(C=CC=c12)C	PC-id_143088240	391.417	MUIMMJQEDKYOTB-UHFFFAOYSA-N	00000000100000100110000001100010000000000000000000000000	31-01-108937
CCOC(=O)CCCc1cc(c2-c1ccccc2)C(=O)c1ccc(cc1)[N+](=O)[O-]	SCHEMBL9379015,PC-id_54541251	391.417	ZDIVYVHDUVMEEW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-108938
CCOC(=O)CCCc1cc(c2-c1ccccc2)C(=O)c1cccc(c1)[N+](=O)[O-]	SCHEMBL9384105,PC-id_54203729	391.417	PRAYLVVKCQMDPU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-108939
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(c(F)c1)C	PC-id_55792058	391.417	CPONDGFOVWTTRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108940
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(F)cc1	PC-id_8408565	391.417	VSWJYNXXFLPRPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-108941
O=C(Nc1cc(F)c(cc1N1CCCCC1)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102018325	391.418	GTFIIJHSLKYZGE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-108942
c1ccc2-c(c(cc2)CC(CC(=O)NO)C(=O)N(c2ccccc2)C(=O)N)cc1	PC-id_88316783	391.42	DVIBZVSKQSAALB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-108943
CC(C)(C)OC(=O)NC1=CCc2c(C=N1)[nH]c(c2)C(=O)c1cc2ccccc2o1	SCHEMBL20762568,PC-id_137516922	391.42	AAXPGWWCWKXFOW-UHFFFAOYSA-N	00000000100000100110000001000010000000000000000000000000	31-01-108944
O(C(=O)c1c(N(c2c(NC(=O)C)cccc2)C(=O)C)nc2-c1ccccc2)CC	PC-id_14642940	391.42	GQAAWOFEYYSANY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-108945
ONC(=O)C[C@H](C(=O)N(c1ccccc1)C(=O)N)Cc1ccc2-c1ccccc2	SCHEMBL8524831	391.42	DVIBZVSKQSAALB-QGZVFWFLSA-N	00000010100000110110000000000010000000000000000000000000	31-01-108946
C/C=CC=C/C=C/c1nn2c(n1)NCC(=CC2)CO/C=C/C(C(P)(F)N)C	PC-id_143995655	391.423	RJRSDLAANMJMGS-ZJCBMKCXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-108947
COC(=O)c1ccc(C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)nc1	ZINC22_2356164821,EMOLS-id_337821301,MCULE-9460620380	391.423	IESZKRQLOXGDFT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108948
O=C1[C@H](CCCn2c(N1C)ccn2)NC(=O)c1nccc(c1)Oc1ccccc1	SCHEMBL18366223	391.423	VHUDZIHWBDSTDZ-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-108949
c12ncn(CCn3ccc(C)n3)c1c(=O)nc(N(C)Cc1ccccc1)[nH]c2=O	PC-id_29086390,EMOLS-id_23812198,CoCoCo_1263127,ZINC22_95502714,MCULE-6395302416	391.426	YWKSBBLMNZWFJZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-108950
C=Cc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366749	391.426	HCNQIXICQAXFGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108951
CCOC(=O)C1=CN(CC(c2c1scc2)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL1652428,PC-id_11773723	391.432	NUMCHXNUNIYTQB-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-108952
CCOC(=O)C1=CNCC(c2c1sc(c2)C(=O)c1ccc(c(c1)F)F)(C)C	SCHEMBL4105202,PC-id_68914032	391.432	YUMUAFRNSGOUPP-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-108953
s1c2c(C(CNC=C2C(=O)OCC)(C)C)c(c1)C(=O)c1cc(F)c(F)cc1	PC-id_25120835	391.432	FMKSOVZEHYMRLG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-108954
CC[C@@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)NC1CCC(C(C1)F)F)C	PC-id_139471379,SCHEMBL21337377	391.433	LYUHGGZPDNRBON-QBWABLMJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-108955
s1c2CCCCCc2nc1NC(=O)C1CN(C(=O)C1)c1c(F)cc(F)cc1	PC-id_46408325	391.435	IUTCSEQYYLXUQB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-108956
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1c(occ1)C)C(=O)OC	PC-id_8967286	391.438	BDOHMFTVDVCBBB-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-108957
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1oc(cc1)C)C(=O)OC	PC-id_2626091	391.438	MBCHBYGHZNDYRG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-108958
Fc1cc(OC[C@H](O)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52316668	391.44	LZTXGBYHHMXMAI-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108959
Fc1cc(OC[C@@H](O)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52316669	391.44	LZTXGBYHHMXMAI-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108960
Fc1cc(OCC(O)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_75824820	391.44	LZTXGBYHHMXMAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108961
CCC1(C)N(Cc2ccccc2)C(=O)/C(=C/c2ccc(cc2)F)/Cn2c1nnn2	PC-id_102167858	391.441	DSDFSUHHZWHPID-QGOAFFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-108962
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cccc(c1)C(=O)OC	MCULE-6738813754,PC-id_53182958,EMOLS-id_33087442	391.441	UBEHSNNPDWNZKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108963
CCOc1cc(C(=O)Nc2nc3c(s2)CCCCC3)c([N+](=O)[O-])cc1OC	ZINC22_12771430,EMOLS-id_16789280,MCULE-3484179365,PC-id_17537722,CoCoCo_4546216	391.441	RLAGMMFNOOEQEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108964
CCOC(=O)c1ccc(NS(=O)(=O)c2cc3C(=O)N(C)CCCn3c2)cc1	MCULE-5541181646,PC-id_53182855,EMOLS-id_48455491	391.441	QHPLFULFIFRLLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-108965
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(n(c(=O)n(c1=O)C)C)N	PC-id_2668544	391.441	OKEQQUXKNNMTPT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-108966
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1nc(OC)cc(OC)n1	PC-id_24576716	391.441	INRAWBWLBWCPPM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-108967
s1c2c(CCCCC2)c(c1NC(=O)c1cn(nc1)CCC(=O)O)C(=O)OC	PC-id_19471185	391.441	HRCGFIDKBOTLPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108968
s1c2c(CCCCC2)c(c1NC(=O)c1cn(nc1)C(C)C(=O)O)C(=O)OC	PC-id_19502963	391.441	CAKCZQHQUBWPPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108969
s1c2c(CCCCC2)c(c1NC(=O)c1c(n(nc1)C)C(=O)O)C(=O)OCC	PC-id_19496252	391.441	QQKGKUZHGKLXSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108970
s1c2c(CCCCC2)c(c1NC(=O)c1c(nn(c1)C)C(=O)O)C(=O)OCC	PC-id_19498646	391.441	YIDHNKGEVYDQAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108971
s1c2c(CCCCC2)c(c1NC(=O)c1cn(nc1)CC(=O)O)C(=O)OCC	PC-id_19500644	391.441	BJZDPBCIRKPTBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108972
s1c2c(CCCCC2)c(c1NC(=O)c1n(ncc1)C(C)C(=O)O)C(=O)OC	PC-id_19487531	391.441	YWDUJDMMROVWRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108973
s1c2c(CCCCC2)c(c1NC(=O)c1n(ncc1)CCC(=O)O)C(=O)OC	PC-id_19490071	391.441	RSJKXGHFIVKSNP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108974
s1c2c(CCCCC2)c(c1NC(=O)c1n(ncc1)CC(=O)O)C(=O)OCC	PC-id_19482517	391.441	AAWXEAHPXLGCAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108975
s1c2c(CCCCC2)c(c1NC(=O)c1nn(cc1)CC(=O)O)C(=O)OCC	PC-id_19500211	391.441	UAQGVCSZFCKKJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108976
s1c2c(CCCCC2)c(c1NC(=O)c1n(ncc1C(=O)O)C)C(=O)OCC	PC-id_19494256	391.441	AGNPYAHQBPJAOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108977
s1c2c(CCCCC2)c(c1NC(=O)c1nn(cc1C(=O)O)C)C(=O)OCC	PC-id_19498247	391.441	YNMJSVLOIWFNHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108978
s1c2c(CCCCC2)c(c1NC(=O)c1nn(C(C)C(=O)O)cc1)C(=O)OC	PC-id_19504129	391.441	WMWXFLMVCNCLAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108979
s1c2c(CCCCC2)c(c1NC(=O)c1nn(CCC(=O)O)cc1)C(=O)OC	PC-id_19506528	391.441	OMYGSDDQFBBEGC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108980
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1)C)C(=O)NC(=O)OCC	PC-id_16953781	391.441	YNXMBVYJGRUDKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108981
s1c2c(CCCCC2)c(c1NC(=O)c1onc(c1)C)C(=O)NC(=O)OCC	PC-id_16879911	391.441	GHZQIJUTUBZQLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108982
s1c2c(CCCCC2)c(c1NC(=O)CCn1nc(cc1)C(=O)O)C(=O)OC	PC-id_19470618	391.441	VGKGAVCVTJJTCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108983
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s1c2c(CCCCC2)c(c1NC(=O)CCn1nccc1C(=O)O)C(=O)OC	PC-id_19492134	391.441	INOKESDIWQTNDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108985
s1c2c(CCCCC2)c(c1NC(=O)C(n1nccc1C(=O)O)C)C(=O)OC	PC-id_19488003	391.441	WEJDPRPUCOSGFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108986
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s1c2c(CCCCC2)c(c1NC(=O)Cn1nccc1C(=O)O)C(=O)OCC	PC-id_19485552	391.441	AVHCJYAHALMRRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108989
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc(cc1)C(=O)O)C(=O)OCC	PC-id_19502209	391.441	NVOBKEVVCDYJGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-108990
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NC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)sc2c1CCCCC2	ZINC22_4176884,PC-id_6306879,EMOLS-id_30108429,CoCoCo_5014648	391.465	CWWGGKLCTSYWNW-SOFGYWHQSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109048
O1CCN(C(=O)C2CCCN(C2)C(=O)Cn2nc3n(CCCCC3)c2=O)CC1	PC-id_55580122	391.465	OIPKOSLHCDDKSB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109049
O=C1c2cc(ccc2C(=O)N1C)S(=O)(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_97734092	391.465	JJCUITRBRNQKMI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-109050
O=C(Nc1sc2c(c1C(=O)N)CCCCC2)/C=Cc1ccc(s1)[N+](=O)[O-]	CoCoCo_5014649	391.465	CWWGGKLCTSYWNW-VURMDHGXSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109051
S(=O)(=O)(NCCc1n2CCCCCc2nn1)c1c(c(cc(c1)C(=O)[O-])C)C	PC-id_25641661	391.465	QPINGOUFZZBRNE-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-109052
c1(CN(c2ccccc2)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	EMOLS-id_10086454,ZINC22_4518084,CoCoCo_2580167,PC-id_7267242,MCULE-6818827988	391.466	FERYWLUOTMCFNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109053
c1(CN(c2ccccc2)C(=O)Nc2ccccc2OC)nnc2CCCCCn12	EMOLS-id_5701270,CoCoCo_5142775,MCULE-5819896733,PC-id_7565881,ZINC22_5223367	391.466	QBMVMOZGHRAPRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109054
c1(CN(c2ccccc2)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	PC-id_7267241,CoCoCo_2580166,MCULE-2958591171,EMOLS-id_10086574,ZINC22_4518083	391.466	HKYWCDJRJSBDQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109055
c1(CN(c2ccc(cc2)OC)C(=O)Nc2ccccc2)nnc2CCCCCn12	MCULE-5681648888,ZINC22_622949,EMOLS-id_543337,CoCoCo_2580161,PC-id_978928,CHEMBL1343998	391.466	SBCDQRKFAPOFFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109056
c1(CN(c2ccccc2OC)C(=O)Nc2ccccc2)nnc2CCCCCn12	PC-id_7267244,MCULE-6091675952,CoCoCo_2580171,ZINC22_4518086,EMOLS-id_10085626	391.466	RYRBPYRKPVGMHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109057
c1(C(O)C2CCC2)cc2n(CCCN(C(=O)c3cccc(c3)n3cccn3)C2)n1	EMOLS-id_55644274,MCULE-7286405205,PC-id_91774648	391.466	LAPQRWDIEPRBGJ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-109058
c1(C(=O)N2CCn3c(CC2)nnc3Cc2ccccc2)c(=O)[nH]c(c(C)c1C)C	MCULE-8501924971,EMOLS-id_49675360,PC-id_74247978,ZINC22_97758049	391.466	BSXLHNLCKRDONT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109059
c1(C(=O)N2CCN(CC2)C(=O)c2c3ccccc3[nH]c2)c2CCCCCc2[nH]n1	MCULE-3456806359,EMOLS-id_323254458	391.466	NMIIHTKYCVXSFO-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-109060
c1(nnc2CCCCCn12)N(Cc1ccccc1)C(=O)Nc1cccc(OC)c1	MCULE-8225578864,ZINC22_8494718,PC-id_4752736	391.466	ATIMPLNKIHYDRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109061
c1(nnc2CCCCCn12)N(Cc1ccccc1OC)C(=O)Nc1ccccc1	PC-id_4752605,MCULE-8730823037,ZINC22_8495993	391.466	CTJSOWXKDLAREU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109062
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)OC)C(=O)Nc1ccccc1	ZINC22_8474592,PC-id_4751361,MCULE-8380598743	391.466	DWIRLLYXOUQXQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109063
c1(nnc2CCCCCn12)N(Cc1cccc(OC)c1)C(=O)Nc1ccccc1	ZINC22_8494650,MCULE-1229399969,PC-id_4752600	391.466	GGFLVINRIJQWNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109064
Cc1ccccc1NC(=O)c1cnc2n1CCN(CC2)Cc1cnc(cc1)OC	PC-id_134810682	391.466	SRULWSWKJPIIOD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109065
Cc1ccc(c(c1)Oc1ccc(cn1)CNC(=O)C1CCn2c(CC1)nnc2)C	MCULE-4045414200,EMOLS-id_320198066	391.466	CJKRLFXZXDEOSZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109066
Cc1ccc(NC(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)cc1C	EMOLS-id_97099389,MCULE-6427509094	391.466	CUJCIBLANKMKIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109067
CC(c1cccc(c1)OCc1ccccn1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-4802132520,EMOLS-id_319866109	391.466	JTASUDXSIJHDBL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109068
CCc1ccc(NC(=O)C2CCc3nn(Cc4ccncc4)c(=O)n3CC2)cc1	EMOLS-id_207877104,MCULE-4121686573	391.466	HEKKBQCGKYAFHH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109069
CC(C)c1ccc(cc1)N1CC(CC1=O)C(=O)N1CCCn2nc(cc2C1)C#N	MCULE-6390858439,EMOLS-id_289997230	391.466	CLDBDSMLZBQILB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-109070
CC(C)c1ccc(N2C[C@@H](C(=O)N3CCCn4nc(C#N)cc4C3)CC2=O)cc1	ZINC22_952863192	391.466	CLDBDSMLZBQILB-KRWDZBQOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-109071
CC(C)c1ccc(N2C[C@H](C(=O)N3CCCn4nc(C#N)cc4C3)CC2=O)cc1	ZINC22_952863196	391.466	CLDBDSMLZBQILB-QGZVFWFLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-109072
C/C(=C/c1ccco1)/CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccc1	CoCoCo_1535861,CoCoCo_1535863	391.466	PIBQGSHQFVCKOT-VKAVYKQESA-N	00000000101000110101000000000010000000000000000000000000	31-01-109073
C/C(=Cc1ccco1)/CN1CCc2nnc(CNC(=O)c3ccccc3)n2CC1	EMOLS-id_44854259,PC-id_42398612,CoCoCo_1535864,ZINC22_67840569,CoCoCo_1535862	391.466	PIBQGSHQFVCKOT-SAPNQHFASA-N	00000000101000110101000000000010000000000000000000000000	31-01-109074
C[C@H](Oc1cccnc1NC(=O)N1CCCc2c(cnn2C)C1)c1ccccc1	ZINC22_669279534	391.466	SZMOUUWKRVECJY-INIZCTEOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109075
C[C@@H](Oc1cccnc1NC(=O)N1CCCc2c(cnn2C)C1)c1ccccc1	ZINC22_669279538	391.466	SZMOUUWKRVECJY-MRXNPFEDSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109076
CC(=O)NCc1nnc2n1CCN(CC2)Cc1cccc(c1)Oc1ccccc1	ChEMBL-DNDi_CHEMBL10872654,PC-id_42246805	391.466	VHSLSESXWUYNID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109077
COc1ccccc1CN1CCc2nnc(CNC(=O)c3ccccc3)n2CC1	MCULE-3616150831,EMOLS-id_20479577,PC-id_28956436,ZINC22_20453580	391.466	QRECCKZPAOIDMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109078
COc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccccc1	CoCoCo_6601919,PC-id_16458768,MCULE-1530697381,ZINC22_28527811	391.466	MZKZYOUGZVIGDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109079
COc1cccc(c1)N(Cc1nnc2CCCCCn12)C(=O)Nc1ccccc1	MCULE-8617514933,ZINC22_4518093,EMOLS-id_3074467,PC-id_3974066,CoCoCo_2580174	391.466	GMUUSBYMCHNTCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109080
COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)cc1	MCULE-9413828571,EMOLS-id_232715148,ZINC22_20204157,PC-id_28733012	391.466	MYQQJUPNEUGJOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109081
COc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c1	CoCoCo_6601916,ZINC22_28527805,MCULE-9786838068,PC-id_16458765	391.466	ARMJHCMGENBNFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109082
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2)c1	CoCoCo_6602338,MCULE-4421522051,PC-id_16458833,ZINC22_28527966	391.466	NXLRNZNQMDKVAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109083
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1	CoCoCo_6600629,ZINC22_28527167,MCULE-7043530958,PC-id_16458524	391.466	MYUODZSJKSLCBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109084
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2)cc1	CoCoCo_6602280,PC-id_16458813,MCULE-4131332372,ZINC22_28527929	391.466	XQMVYRYAPKVBHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109085
COc1cncc(c1C)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_318995564	391.466	FXMLOEJEBGIGPX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109086
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)CC=Cc1ccccc1	MCULE-9618524448,PC-id_74799807	391.466	ABFLLWFZFYERHO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-109087
n12CCN(CCc1nnc2CNC(=O)c1ccccc1)CC(=Cc1ccco1)C	MCULE-1105660929,PC-id_74794931	391.466	PIBQGSHQFVCKOT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-109088
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)NCCc1ccccc1	EMOLS-id_50585993,PC-id_91910705,MCULE-4099642344	391.466	ONJSBCSPDLEYGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109089
O=c1n2CCCCCc2nn1CC(=O)Nc1c(N(c2ccccc2)C)cccc1	PC-id_55778687	391.466	DLIZAZNSDMMQAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109090
O=c1n2CCCCCc2nn1CC(=O)NN(Cc1ccccc1)c1ccccc1	PC-id_55570647	391.466	DLVXIOWHKFHZHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109091
O=C(c1cccc(n2cccn2)c1)N1CCCn2nc([C@H](O)C3CCC3)cc2C1	PC-id_100049480,ZINC22_219914863	391.466	LAPQRWDIEPRBGJ-OAQYLSRUSA-N	00001000100000110101100000000010000000000000000000000000	31-01-109092
O=C(c1cccc(n2cccn2)c1)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1	ZINC22_219914826,PC-id_100049479	391.466	LAPQRWDIEPRBGJ-NRFANRHFSA-N	00001000100000110101100000000010000000000000000000000000	31-01-109093
O=C(C1CCn2c(CC1)nn(c2=O)Cc1ccncc1)NCCc1ccccc1	MCULE-7532615487,EMOLS-id_207877065	391.466	HCOHJRUEBQYEGP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109094
O=C(c1cocc1)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccccc1	CoCoCo_1174235,CoCoCo_1174233	391.466	ABFLLWFZFYERHO-DAXSKMNVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-109095
O=C(c1[nH]c2c(cccc2)c1)N1CCN(C(=O)c2c3c(CCCCC3)[nH]n2)CC1	EMOLS-id_323254714,MCULE-4061396953	391.466	NTNMCEGDXUAIRR-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-109096
O(CC(=O)NCc1n2CCCCCc2nn1)c1ccc(Nc2ccccc2)cc1	PC-id_51185252	391.466	DUXWAAUPXVMRRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109097
O=C(N1CCCc2c(C1)cnn2C)Nc1ncccc1OC(c1ccccc1)C	EMOLS-id_316208684,MCULE-6358973436	391.466	SZMOUUWKRVECJY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109098
O=C(NCc1n2CCCCCc2nn1)c1c(Nc2ccc(OC)cc2)cccc1	PC-id_60451336	391.466	AYADVULHTQGWJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109099
O=C(NCCc1n2CCCCCc2nn1)c1cc(OCc2ccccc2)ncc1	PC-id_60566997	391.466	YJXLXJQINKVSAZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109100
O=C(NCCc1n2CCCCCc2nn1)c1c(=O)n(Cc2ccccc2)ccc1	PC-id_48142921	391.466	CGVPEAZESSZWAN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109101
O=C(NCCc1nnc2CCN(C/C=C/c3ccccc3)CCn12)c1ccoc1	ZINC22_12036568,CoCoCo_1174236,EMOLS-id_44851463,PC-id_42367759,CoCoCo_1174234	391.466	ABFLLWFZFYERHO-QPJJXVBHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-109102
c12CN(CCCn1nc(CN(C)C)c2)C(=O)c1cnc(nc1)Nc1ccccc1	PC-id_70746785,ZINC22_72432056,EMOLS-id_43129755,MCULE-8843065215	391.47	TZLKMMXWCLWMGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109103
c1(cn2c(CCNCC2)n1)C(=O)N1C[C@@H](Cc2ccccc2)n2c(nnc2C)C1	MCULE-8508850001,PC-id_164692378	391.47	HCGMYSUHNQIPBT-QGZVFWFLSA-N	00000000100010110101000000010010000000000000000000000000	31-01-109104
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3cn4c(ccc(C)c4)n3)C2)n1	MCULE-4275832398,EMOLS-id_55712550,PC-id_91798021	391.47	WTJSTQLWIYUQJX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109105
Cc1ccc2nc(CN3CCCn4nc([C@@H](O)c5ccnn5C)cc4C3)cn2c1	PC-id_100333724,ZINC22_223925574	391.47	WTJSTQLWIYUQJX-OAQYLSRUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109106
CCOC(=O)N1CCC(CC1)NC(=NCCCc1nnc2n1CCCCC2)N	PC-id_111093753	391.511	DEWJCISMNZPUMP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109262
Cc1ccc2nc(CN3CCCn4nc([C@H](O)c5ccnn5C)cc4C3)cn2c1	ZINC22_230506838	391.47	WTJSTQLWIYUQJX-NRFANRHFSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109107
CC(C)c1cc(C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)nc(=N)[nH]1	MCULE-5994691173,EMOLS-id_337816434,ZINC22_2356164747	391.47	FRMDXAYVOVHROL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109108
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)C1CCc2n(ncn2)C1	MCULE-4902334210,EMOLS-id_337783434	391.47	VSLOCQFFTGBMTJ-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-109109
O=C([C@H]1CCc2ncnn2C1)N1CCc2nc(CCc3ccccc3)nn2CC1	ZINC22_2356167238	391.47	VSLOCQFFTGBMTJ-KRWDZBQOSA-N	00000000100010110101000000010010000000000000000000000000	31-01-109110
O=C([C@@H]1CCc2ncnn2C1)N1CCc2nc(CCc3ccccc3)nn2CC1	ZINC22_2356167239	391.47	VSLOCQFFTGBMTJ-QGZVFWFLSA-N	00000000100010110101000000010010000000000000000000000000	31-01-109111
Fc1ccc(c(c1)F)OC1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	PC-id_112836722	391.475	GOHAGWPIGDVCHR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-109112
CSC(n1nnc2c1CCC(OCC(=O)OC(C)C)CCC2(F)F)(C)C	SCHEMBL21117260,PC-id_138736976	391.476	YUEGEMLGOPDDDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109113
CC1CCC/C=CCc2c(SN1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL21337205,PC-id_139471208	391.478	MZWJQSWVDKVSLC-XQRVVYSFSA-N	00000000100000110111000000000010000000000000000000000000	31-01-109114
c1(NC(=O)C2C3CCC(C3)C2C(=O)O)sc2c(CCCCC2)c1C(=O)OC	CHEMBL1333802,BindingDB-id_58057,BindingDB_PC-id_2887468,ChEMBL-DNDi_CHEMBL1333802,MCULE-8129976506,PC-id_2887468,ChEMBL-DNDi_CHEMBL6132585,TIMTEC457317,SPECS-id_AK-968/15360166,EMOLS-id_2020338	391.481	SRWNKGYXOWZYBF-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-109115
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCCCC2)c1C(=O)OCC	MCULE-3806846449,TIMTEC357710,PC-id_4322753,EMOLS-id_4069646	391.481	OKQSNZTXVSFHIS-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-109116
c1(NC(=O)C2=C(CCCC2)C(=O)O)sc2c(CCCCCC2)c1C(=O)OC	PC-id_53270817,MCULE-9119211582	391.481	MNSFDYMYYXYPTK-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-109117
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_6803258,ZINC22_2486397,PC-id_40421738	391.481	OKQSNZTXVSFHIS-QWHCGFSZSA-N	00000000100011000100000000000010000000000000000000000000	31-01-109118
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_6803259,ZINC22_2486400,PC-id_40421742	391.481	OKQSNZTXVSFHIS-STQMWFEESA-N	00000000100011000100000000000010000000000000000000000000	31-01-109119
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_2486398,PC-id_40421740,CoCoCo_6803257	391.481	OKQSNZTXVSFHIS-CHWSQXEVSA-N	00000000100011000100000000000010000000000000000000000000	31-01-109120
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_3634129,PC-id_40462264,CoCoCo_6803260	391.481	OKQSNZTXVSFHIS-OLZOCXBDSA-N	00000000100011000100000000000010000000000000000000000000	31-01-109121
COC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_20024314,ZINC22_100430416	391.481	SRWNKGYXOWZYBF-AZHAFVHUSA-N	00000010100010000100000000000110000000000000000000000000	31-01-109122
COC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_100430421,PC-id_20024316	391.481	SRWNKGYXOWZYBF-GVARAGBVSA-N	00000010100010000100000000000110000000000000000000000000	31-01-109123
COC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_169686778	391.481	SRWNKGYXOWZYBF-UOVKNHIHSA-N	00000010100010000100000000000110000000000000000000000000	31-01-109124
COC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_239412450	391.481	SRWNKGYXOWZYBF-LWWSYDQCSA-N	00000010100010000100000000000110000000000000000000000000	31-01-109125
COC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_6790165	391.481	SRWNKGYXOWZYBF-JLUCKKNBSA-N	00000010100010000100000000000110000000000000000000000000	31-01-109126
COC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_6790166	391.481	SRWNKGYXOWZYBF-IDTSFGKNSA-N	00000010100010000100000000000110000000000000000000000000	31-01-109127
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_6790167	391.481	SRWNKGYXOWZYBF-FDRIWYBQSA-N	00000010100010000100000000000110000000000000000000000000	31-01-109128
COC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_6790168	391.481	SRWNKGYXOWZYBF-DRABBMOASA-N	00000010100010000100000000000110000000000000000000000000	31-01-109129
COC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_6790170	391.481	SRWNKGYXOWZYBF-RBDSIQFVSA-N	00000010100010000100000000000110000000000000000000000000	31-01-109130
COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_6790171	391.481	SRWNKGYXOWZYBF-BAESOJJISA-N	00000010100010000100000000000110000000000000000000000000	31-01-109131
COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCC2	CoCoCo_6790169,ZINC22_4614559,PC-id_11894903	391.481	SRWNKGYXOWZYBF-BVIHXZOGSA-N	00000010100010000100000000000110000000000000000000000000	31-01-109132
COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCC2	PC-id_11894905,ZINC22_4614560,CoCoCo_6790164	391.481	SRWNKGYXOWZYBF-PKIAMQTDSA-N	00000010100010000100000000000110000000000000000000000000	31-01-109133
Fc1ccc(NCC(=O)N/N=C/c2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1	CoCoCo_3510970,PC-id_42912562	391.481	GFXJBOSUZSTPPN-UVHMKAGCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-109134
Fc1ccc(NCC(=O)NN=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1	PC-id_25699898,EMOLS-id_26121239,MCULE-1303869902	391.481	GFXJBOSUZSTPPN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-109135
O=C(CNc1ccc(cc1)F)N/N=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	CoCoCo_3510971	391.481	GFXJBOSUZSTPPN-WKIKZPBSSA-N	00000010100000110110000000000010000000000000000000000000	31-01-109136
s1c2c(CCCCC2)c(c1NC(=O)C1=C(CCCC1)C(=O)O)C(=O)OCC	PC-id_53270816	391.481	VFBJLBAAYXDRRR-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-109137
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C1CCC=CC1)C(=O)OC	PC-id_78570757	391.481	BTTXXXVUTVENCM-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-109138
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CC1CCC=C1)C(=O)OC	PC-id_84920433	391.481	MHBHUOLTCRRXET-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-109139
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C[C@@H]1CCC=C1)C(=O)OC	PC-id_9065642	391.481	MHBHUOLTCRRXET-ZDUSSCGKSA-N	00000011100000000100000000000010000000000000000000000000	31-01-109140
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C[C@H]1CCC=C1)C(=O)OC	PC-id_9065643	391.481	MHBHUOLTCRRXET-CYBMUJFWSA-N	00000011100000000100000000000010000000000000000000000000	31-01-109141
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)[C@@H]1CCC=CC1)C(=O)OC	PC-id_7932209	391.481	BTTXXXVUTVENCM-ZDUSSCGKSA-N	00000000100011000100000000000010000000000000000000000000	31-01-109142
s1c2c(CCCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)O)C(=O)OC	PC-id_4382087	391.481	UKTDPFMHZNXKFJ-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-109143
NC(=O)c1c(NC(=S)NC(=O)c2ccccc2F)sc2c1CCCCC2	ZINC22_32125298,PC-id_20166139	391.483	SVQPQSKQSFYROU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109144
NC(=O)c1c(NC(=S)NC(=O)c2cccc(F)c2)sc2c1CCCCC2	ZINC22_32125178,PC-id_20166143	391.483	RNVVMRAJWMJMBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109145
NC(=O)c1c(NC(=S)NC(=O)c2ccc(F)cc2)sc2c1CCCCC2	ZINC22_32125068,PC-id_20166147	391.483	AEEAUINREMOTTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109146
Cc1ccc(S(=O)(=O)N2Cc3cccn3C[C@H](OCC(=O)N(C)C)C2)cc1	ZINC22_575404952	391.484	FYYDSTVRIORSKJ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109147
Cc1ccc(S(=O)(=O)N2Cc3cccn3C[C@@H](OCC(=O)N(C)C)C2)cc1	ZINC22_575404956	391.484	FYYDSTVRIORSKJ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109148
CN(C)C(=O)COC1CN(Cc2cccn2C1)S(=O)(=O)c1ccc(C)cc1	EMOLS-id_55752125	391.484	FYYDSTVRIORSKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109149
COc1ccc(cc1)CNC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C	PC-id_138391925,EMOLS-id_323880951	391.484	ZXTKDXPFEPVUDN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-109150
COc1ccccc1S(=O)(=O)CCCn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_316615053	391.484	BTKQHTNEEXPXAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109151
s1c2c(CCCCC2)c(c1NC(=O)CCc1onc(n1)CCC)C(=O)OC	PC-id_52598459	391.484	UVMMUQIQBRJKIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109152
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C1CCCC1)C(=O)OCC	PC-id_4121003	391.484	USZHJNVYZQLZSQ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-109153
c1(c2CCCCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccccn1	CK1632233,ZINC22_1081678,MCULE-6111214831,PC-id_1268401,EMOLS-id_1936493,CoCoCo_731420	391.486	DWALMTZTPJNLJA-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-109154
c1(c2CCCCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1ccccc1	ZINC22_2755834,PC-id_2166823,CoCoCo_665558,EMOLS-id_1989968,MCULE-6512233065,SPECS-id_AE-848/34090087	391.486	QSTCLWYBVHMOSU-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-109155
c1(c2CCCCCc2sc1NC(=O)c1ccncc1)C(=O)Nc1ccccc1	ZINC22_3100266,PC-id_3109199,CoCoCo_81722,BAS-00486727,MCULE-8516877196,EMOLS-id_1230915	391.486	XPEWDSHYDVEMQE-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-109156
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CC(c1ccccc1)c1ccccc1	PC-id_90625402	391.486	XUSYSBJNWNZKNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109157
c1(NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCCCCC2)c1C#N	ZINC22_2081445,TIMTEC345807,CoCoCo_6708596,MCULE-8219278210,SPECS-id_AK-968/11842392,EMOLS-id_2756151,PC-id_1740765	391.486	NXKOYVAULDCALT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109158
C#CCCCn1c(Sc2cc(OC)ccc2C(=O)C)nc2c1ccccc2=N	PC-id_145479873	391.486	ARJLQAJXSVPTAZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-109159
O=C(Cc1ccccc1)N1CCc2nc(sc2CC1)C(=O)Nc1ccccc1	ZINC22_96146881,PC-id_97442405,EMOLS-id_44303730	391.486	HVGSIKGASPDRAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109160
O=C(NCc1ccccc1)c1nc2CCN(CCc2s1)C(=O)c1ccccc1	PC-id_97442458,EMOLS-id_44303836,ZINC22_96146934	391.486	FLALDHOIBAMLLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109161
s1c2CCCCCc2nc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1	PC-id_24658629	391.486	DFNQXEGKTXGECF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109162
c1(N2CCOCC2)sc(cn1)CN1CCCn2nc(CCC(=O)O)cc2C1	EMOLS-id_43145520,MCULE-1408527834,ZINC22_72454635,PC-id_56905246	391.488	TTYYLKDVCNOSPI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-109163
Cc1cc(NC(=O)CSCC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)no1	ZINC22_596005100,MCULE-4801446507,PC-id_136552871,EMOLS-id_316876013	391.488	WDLLSBVBDOFNFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109164
CCc1cccc(c1)NC(=O)N1CCCn2c(C1)c(nc2)CNS(=O)(=O)C	PC-id_97405495	391.488	UVUVTGMAXSISRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109165
CCc1ccc(NC(=O)N2CCCn3cnc(CNS(=O)(=O)C)c3C2)cc1	ZINC22_96084673,EMOLS-id_46182369,PC-id_97405496	391.488	UUAJOCAYCLBIMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109166
CCNS(=O)(=O)c1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1	EMOLS-id_17172422,CoCoCo_4559882,MCULE-1210514649,PC-id_24235917,ZINC22_12781298	391.488	XGFOXPBMNLQUGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109167
CN(C)c1ccc(cc1)C(=O)N1CCCn2cnc(CNS(=O)(=O)C)c2C1	PC-id_97519518,EMOLS-id_44370422,ZINC22_96259434	391.488	RDLXARZLRJPXOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109168
CN(C(=O)CNc1ccc(cc1)S(=O)(=O)C)Cc1nnc2n1CCCCC2	EMOLS-id_318339713	391.488	UJXWKPOGUBTVIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109169
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1nc2n(c1=O)CCCCC2	MCULE-5760089709,PC-id_33888514,ZINC22_26615218,EMOLS-id_24048479,CoCoCo_4796228,CoCoCo_4796229	391.488	XWKJRPOQZIOJAS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-109170
CNS(=O)(=O)c1cccc(NC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)c1	MCULE-1108010118,ZINC22_888101796,EMOLS-id_316875499	391.488	OIYIRTCAABLLNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109171
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)S(=O)(=O)N(C)C)C	EMOLS-id_101959249	391.488	IWNBCCHWIRUUEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109172
O=C(N1CCOCC1c1noc(n1)C(C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_99093510	391.488	MPCMLSABRMYROB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-109173
O=C(N[C@@H]1c2sccc2OC([C@H]1O)(C)C)NCc1nnc2n1CCCCC2	EMOLS-id_101538039	391.488	QRDNOILOHZQFCB-ZBFHGGJFSA-N	00000000100010000101000000010010000000000000000000000000	31-01-109174
O=S(=O)(c1ccc(cc1)NCc1nnc2n1CCCCC2)N1CCOCC1	EMOLS-id_316654082	391.488	KZQPNIJGRQMFFB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-109175
S(=O)(=O)(c1ccc(CNC(=O)NCCc2n3CCCCCc3nn2)cc1)C	PC-id_52303582	391.488	RVXKORNMKDXRMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109176
S(=O)(=O)(Nc1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1C)C	PC-id_55556853	391.488	AIBSDZRKWRZQJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109177
S(=O)(=O)(N(C)C)c1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51323436	391.488	BNUXHUVKOGNMAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109178
S(=O)(=O)(N(C)C)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_51307441	391.488	VTSCOBPGFYMYNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109179
S(=O)(=O)(NC(C)C)c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51324029	391.488	ZYKWITCTVNQJHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109180
S(=O)(=O)(NC(C)C)c1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_51324028	391.488	AETWTQZSIWLKHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109181
S(=O)(=O)(N(CC(=O)NCc1n2CCCCCc2nn1)c1c(cccc1)C)C	PC-id_51266326	391.488	KHBKJEUVXLEUFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109182
Clc1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc(F)c1	PC-id_46449563	391.87	SPRQABSKVKITPT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-109460
N#Cc1cnn(c2ccc(NC(=O)c3cc4c(s3)CCCCCC4)cc2)c1N	EMOLS-id_44526784,MCULE-1006652716,ZINC22_84414482,PC-id_71897540	391.489	YWFCTZQODUBQMG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109183
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)c1ncccc1	PC-id_42358614	391.489	CWAXLLQLFWTVSM-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-109184
s1c2CCCCCc2cc1C(=O)Nc1cn(nc1)Cc1nc2n(c1)cccc2	PC-id_56325135	391.489	MBSPRRSWLIVRPI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109185
s1c2CCCCCc2c(c1NC(=O)Cn1nc(nc1c1ccccc1)C)C#N	PC-id_56528683	391.489	USCFEYXRKOVTBZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109186
c1cncc(Cc2nnc3n2CCN(Cc2ccc(c4cc[nH]n4)s2)CC3)c1	MCULE-4134567968,EMOLS-id_232876460,ZINC22_829073492	391.493	JQEQBMIRTJAVLF-UHFFFAOYSA-N	00000000100100101101100000000010000000000000000000000000	31-01-109187
CCNc1ccc(cc1C1CC(O)CC(O1)CO)Cc1cc2-c(c1)ccccc2	PC-id_142858251	391.503	OVMNODMRKKUJKX-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-109188
CNCc1ccc(cc1C1CC(O)CC(O1)CO)Cc1cc2-c(c1)ccccc2	PC-id_142858254	391.503	ZOVBQNYMHUWESV-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-109189
s1c2CCCCCc2cc1C(=O)OCC(=O)c1sc(CNC(=O)C)cc1	PC-id_8522033	391.504	BLPSTTJDVBXITI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109190
s1c2c(CCCCC2)c(C(=O)NC2CCCCC2)c1NC(=O)CCC(=O)[O-]	PC-id_27521690	391.504	REYATZRGLCEMOI-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-109191
S(=O)(=O)(c1[nH]c2c(c1SCC)C(=O)CCCCC2=O)c1ccc(cc1)C	PC-id_72546729	391.504	JMOFSQIRAMPTBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109192
c1(cn2c(CCN(C(=O)CCOC)CC2)n1)C(=O)N1CCCC(CC1)N(C)C	EMOLS-id_331108378,MCULE-3799135015	391.508	HOASFCBQJMJAPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109193
c1(NC(=O)CSc2ncccn2)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_14067383,CoCoCo_6846269,PC-id_19727893,TIMTEC198259,EMOLS-id_5034793,MCULE-7968288768	391.508	HPETZKLJBASBMB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-109194
CCC(c1nnc2n1CCCCC2)NC(=O)N1CCC(CC1)OC1CCOC1	EMOLS-id_100544847	391.508	WCNNDCAOEAUWGO-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-109195
CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=CCCO)C	SCHEMBL1175517,PC-id_87208856	391.508	HRBYIOQTSSOCSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109196
CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=CCOC)C	SCHEMBL1174494,PC-id_87208750	391.508	SXLSLQSBKBFQTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109197
CC(C)(C)C(=NC(=O)c1c2CN(CCCn2c(n1)CCCCO)C)C(=O)NC	PC-id_89222495	391.508	HDECWBHOZSAMAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109198
CC(C)(C)C(=NC(=O)c1c2CN(CCCn2c(n1)CCCOC)C)C(=O)NC	PC-id_89222599	391.508	KIIMUAPNMWVGOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109199
CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110211535	391.508	XXJYINWXXRKJLJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-109200
CN1CCCn2c(C1)c(nc2[C@H](C(C)(C)C)C(=O)N1CCC[C@@H](C1)O)C(=O)N	PC-id_140605936	391.508	IIQMFFQUNYLDPB-ZFWWWQNUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109201
CN1CCCn2c(C1)c(nc2[C@H](C(C)(C)C)C(=O)N[C@@H]1CCC[C@H]1O)C(=O)N	PC-id_140605934	391.508	MURVBKKGYBXLFB-YUELXQCFSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109202
CN1CCCn2c(C1)c(nc2[C@H](C(C)(C)C)C(=O)N[C@H]1CCC[C@@H]1O)C(=O)N	PC-id_140605941	391.508	MURVBKKGYBXLFB-QEJZJMRPSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109203
CNS(=O)(=O)c1ccc(cc1)C=CC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_301144547,MCULE-4315097447	391.508	AZDBTQCTRYQZFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109204
CNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2nc3c(s2)CCCCC3)cc1	ZINC22_170651474,PC-id_99813681	391.508	AZDBTQCTRYQZFR-FMIVXFBMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109205
COCCCc1nc(c2n1CCCN(C2)C)C(=O)/N=C(C(C)(C)C)/C(=O)NC	SCHEMBL14003198	391.508	KIIMUAPNMWVGOZ-QJOMJCCJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109206
COCC=Cc1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	PC-id_66931849,SCHEMBL1174496	391.508	SXLSLQSBKBFQTB-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109207
COC/C=C/c1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	SCHEMBL1174491,PC-id_57635263	391.508	SXLSLQSBKBFQTB-UGAXZCSASA-N	00000000100000000101000000000010000000000000000000000000	31-01-109208
COCCC(=O)N1CCc2nc(C(=O)N3CCC[C@H](N(C)C)CC3)cn2CC1	ZINC22_1875243986	391.508	HOASFCBQJMJAPQ-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109209
COCCC(=O)N1CCc2nc(C(=O)N3CCC[C@@H](N(C)C)CC3)cn2CC1	ZINC22_1875243987	391.508	HOASFCBQJMJAPQ-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109210
NS(=O)(=O)N1CCc2ccc(NC(=O)c3cc4c(s3)CCCCC4)cc12	ZINC22_58551584,MCULE-8399168193,PC-id_53516651,EMOLS-id_35731915	391.508	QHZGPWZIPJWZOM-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-109211
O=C1CCCN1c1ccc(cc1)S(=O)(=O)Nc1nc2CCCCCc2s1	ZINC22_12374548,TIMTEC126223,EMOLS-id_13191530,MCULE-8398961289,SPECS-id_AN-153/J108384,PC-id_24208096	391.508	DMLIVUKLVKJCRG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-109212
O=C(c1ccc2c(c1)CCN2S(=O)(=O)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_110529193	391.508	MIZUQSHHECXQPZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-109213
O=C(c1cccc(c1)N1CCCS1(=O)=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98316567	391.508	XIHBSMJBZXCHJF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-109214
O=C(c1ccc(cc1)N1CCCS1(=O)=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98320569	391.508	QWNSGVAANVKXBN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-109215
O=C(c1ccc(cc1)S(=O)(=O)NC1CC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98320494	391.508	KRHBLYHXZWOUML-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-109216
OCCCCc1nc(c2n1CCCN(C2)C)C(=O)/N=C(C(C)(C)C)/C(=O)NC	SCHEMBL14002132	391.508	HDECWBHOZSAMAN-QJOMJCCJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109217
OCC/C=C/c1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	PC-id_57635463,SCHEMBL1175513	391.508	HRBYIOQTSSOCSC-RCMYXZNBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109218
OCCC=Cc1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	PC-id_66932232,SCHEMBL1175520	391.508	HRBYIOQTSSOCSC-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109219
O=C(N1CCCc2c(C1)ccs2)Nc1ccc(cc1)C(=O)N=S(=O)(C)C	EMOLS-id_279113346	391.508	NRPFYSGEVBWJQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109220
O=C(N1CCC(CC1)OCC1CCCO1)NCCc1nnc2n1CCCCC2	MCULE-2650609073,EMOLS-id_189744568	391.508	CWMHRRWHOBSDTD-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-109221
O=C(NC1CS(=O)(=O)c2c1cccc2)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101069068	391.508	LYUAEONCQASRRH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-109222
O=C(NCc1ccccc1)c1nc2CCN(CCc2s1)S(=O)(=O)C1CC1	ZINC22_1259272656,EMOLS-id_313794361	391.508	GJIRDLHZDFWLCL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-109223
O=C(NCCc1nnc2n1CCCCC2)N1CCC(OC[C@@H]2CCCO2)CC1	ZINC22_175335800	391.508	CWMHRRWHOBSDTD-KRWDZBQOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-109224
O=C(NCCc1nnc2n1CCCCC2)N1CCC(OC[C@H]2CCCO2)CC1	ZINC22_175335816	391.508	CWMHRRWHOBSDTD-QGZVFWFLSA-N	00000010100010000101000000000010000000000000000000000000	31-01-109225
O=C(NC(C)C)C1NC(=O)[C@@H](NC(=O)CCCCCCCn2cc(nc2)C1)C	PC-id_59876198	391.508	KRCPYDZXIWFQRA-MYJWUSKBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109226
O=C(NC(C)C)C1NC(=O)C(NC(=O)CCCCCCCn2cc(nc2)C1)C	PC-id_20810568	391.508	KRCPYDZXIWFQRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109227
O(C(=O)N1CCC(CC1)CC(=O)NCc1n2CCCCCc2nn1)C(C)(C)C	PC-id_60596255	391.508	ZKXPMVXZRVIXCJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109228
O(C(=O)N1CCC(CC1)C(=O)NCCc1n2CCCCCc2nn1)C(C)(C)C	PC-id_52196120	391.508	FBEATDMFOSGRRV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109229
O(C(=O)N1CC(CCC1)C(=O)NCCc1n2CCCCCc2nn1)C(C)(C)C	PC-id_55536098	391.508	PTXLLQSRLLVGDA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109230
s1c2CCCCCc2cc1C(=O)NNC(=O)CCNC(=O)c1sccc1	PC-id_31846118	391.508	AQFAFBLRVBRBAG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109231
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1sc(cc1)C	PC-id_24636472	391.508	IETZXZQZWLDTTI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109232
s1c2CCCCCc2cc1C(=O)NNC(=O)CN(C(=O)c1sccc1)C	PC-id_55616647	391.508	SSSLEIZXQRTFKG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109233
s1c2c(CCCCC2)c(c1NC(=O)CCSc1ncccn1)C(=O)OC	PC-id_23746309	391.508	FFZPDUCXLFNSSG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-109234
s1c2c(CCCCC2)c(c1NC(=O)CSc1nc(ccn1)C)C(=O)OC	PC-id_17307795	391.508	WFQQCSFRDYHKQL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-109235
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1ncccn1)C)C(=O)OC	PC-id_23998267	391.508	VCASCSXDGUAUDX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-109236
s1c2c(CCCCC2)c(c1NC(=O)CSc1ncccn1)C(=O)OCC	PC-id_4187259	391.508	YQSADNSHMPMOCB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-109237
s1c2CCCCCc2nc1NC(=O)c1ccc(S(=O)(=O)NCC=C)cc1	PC-id_24611821	391.508	KWAIVJFHYUEJSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109238
s1c2CCCCCc2nc1NC(=O)c1cc(S(=O)(=O)NCC=C)ccc1	PC-id_24611817	391.508	ZYAGXMQCXAPVQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109239
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1ccsc1	PC-id_60572520	391.508	ANXWFWASYFDIEX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109240
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1sccc1	PC-id_9441616	391.508	BXQLBPGJEOOSBS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109241
Clc1ccc(CCNC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_16509386	391.912	YUFFCMNDQZTDNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109480
s1c2NC(=O)C(N(CCc3ccsc3)C(=O)c2cc1)C(=O)NC(C)(C)C	PC-id_46868605	391.508	UVTGDZLLBWBDGQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-109242
C1CCc2nnc(n2CC1)/C(=C(/CN1CCC(CC1)Cc1ccccc1)O)/C#N	PC-id_135705144	391.509	SIWLKBYBXWJVGH-MRCUWXFGSA-N	00000000100010110101000000000010000000000000000000000000	31-01-109243
C1CCCCCc2c(CCCC1)c(n[nH]2)C(=O)N/N=C/c1c[nH]c2ccccc12	CoCoCo_724379,CoCoCo_724377,PC-id_135689022	391.509	VHFGXPOUQSNRMZ-PCLIKHOPSA-N	00000000100000100101000001100010000000000000000000000000	31-01-109244
c1(C(=O)N2CCC(CC2)(c2ccccc2)C#N)cc2n(CCCN(C(C)C)C2)n1	ZINC22_65531770,MCULE-4129287795,EMOLS-id_32436926,PC-id_50984616	391.509	WLUIWRVIXDBRQQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-109245
c1(C(=O)NC2(CCCCC2)Cc2[nH]c3c(cccc3)n2)c2CCCCCc2[nH]n1	MCULE-2106300879,EMOLS-id_323254459	391.509	VQKGDDSAKLNXSY-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-109246
c1(C(=O)NN=Cc2c3ccccc3[nH]c2)c2CCCCCCCCCCc2[nH]n1	MCULE-3034839052	391.509	VHFGXPOUQSNRMZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-109247
c1([nH]nc(c2cc(C)ccc2C)c1)C(=O)N1CCCn2ccnc2C1CC(C)C	MCULE-6840923484,EMOLS-id_97038818	391.509	NQLNIJIIWSTJMS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109248
CC1C=Cc2c(C=C1)cc([nH]2)C(=O)N1CCN(CC1)c1ncccc1NC(C)C	PC-id_143297235	391.509	FKWADLJIRGCZHI-UHFFFAOYSA-N	00000000100010101111100000000010000000000000000000000000	31-01-109249
Cc1cc(CNCc2nnc3n2CCCCC3)cc(c1OCc1ccccn1)C	PC-id_121837627	391.509	CXIKXZQTRQVHFT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109250
C(CCc1nnc2n1CCCCC2)NCc1ccccc1OCc1cccnc1	MCULE-2542948149,EMOLS-id_51656242,PC-id_119110708	391.509	GNUGOJQHBVRRQY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109251
N#Cc1c(NC(=O)Cn2cc[n+](c2)Cc2ccccc2)sc2c1CCCCC2	PC-id_142769805	391.509	BACQPKPKRVNDFT-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-109252
O=C(c1cnn2c1CCCCC2)NC1CCCC(C1)Cc1nc2c([nH]1)cccc2	PC-id_143700034	391.509	VFGSBDVWDDLPBB-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-109253
O=C(CN1CCC(CC1)Cc1ccccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_85008093	391.509	BPNSCXOFPMOVDS-UHFFFAOYSA-N	00000011000010110111000000000010000000000000000000000000	31-01-109254
O=C(CN1CCC(CC1)Cc1ccccc1)/C(=C
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O=C(NN/C=C
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O=C(NNC=C1c2c(N=C1)cccc2)c1n[nH]c2CCCCCCCCCCc12	PC-id_6758132	391.509	IYIPIPQXKBNISA-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-109257
O=C(N/N=Cc1c[nH]c2ccccc12)c1n[nH]c2CCCCCCCCCCc12	CoCoCo_724376,EMOLS-id_2118342,PC-id_135438941,CoCoCo_724378	391.509	VHFGXPOUQSNRMZ-XYGWBWBKSA-N	00000000100000100101000001100010000000000000000000000000	31-01-109258
Cc1nn(c2c1cc(cn2)S(=O)(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_110210559	391.511	UQTJSJJPJFJOID-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109259
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(CC1)C(=O)OCC	PC-id_111328758	391.511	KTVZZYAOTKAYSO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109260
CCNC(=NCc1nnc2n1CCCCC2)NC1CN(C1)C(=O)OC(C)(C)C	PC-id_109466530	391.511	WOHLSFFGCGDLCG-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-109261
CCOC(=O)N1CCC(CC1)NC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111327478	391.511	QGQUAZYDMFIPLS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109263
CCOC(=O)N1CCN(CC1)C(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111163731	391.511	DMEUWPMOACIHOI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109264
CN=C(N1CCC(C1)NC(=O)OC(C)(C)C)NCc1nnc2n1CCCCC2	PC-id_111729157	391.511	GHTKLWQGQUUFAE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109265
CN=C(NC1CCN(CC1)C(=O)OC)NCCCc1nnc2n1CCCCC2	PC-id_112078351	391.511	RUWOXJIRPKWMJN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109266
CN=C(NC1CN(C1)C(=O)OC(C)(C)C)NCCc1nnc2n1CCCCC2	PC-id_109466786	391.511	QUHIDAKCHIMCJH-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-109267
NC(=NCCc1nnc2n1CCCCC2)N1CCN(CC1)C(=O)OC(C)(C)C	PC-id_111039193	391.511	GKPBGFQPLFAYPW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109268
NC(=O)c1c(NC(=O)CSc2nnc3n2CCCCC3)sc2c1CCC2	ZINC22_6097426,PC-id_7876878,MCULE-9419803548,CoCoCo_3081634,EMOLS-id_24002564,SCHEMBL21045522	391.511	BDRKIMHVBBMURM-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-109269
O=C(NC1CCn2c(CC1)nnn2)NCC1(CCCCC1)CN1CCOCC1	EMOLS-id_102158584	391.511	IVGRMSLTKXHYPM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109270
O=C(NC1CCN(CC1)CC(=O)N(C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_98849599	391.511	IQCWLBXNHJDUPZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109271
O=S(=O)(c1ccc2c(c1)sc(n2)C(C)(C)C)N1CCCn2c(C1)cnn2	EMOLS-id_316709373	391.511	KMRADPMZGNTAHX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109272
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCC)c(=O)[nH]n1)C#N	PC-id_29502244	391.511	XNHOQGRWQARSMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109273
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCOC)cnn1)C#N	PC-id_29933434	391.511	VSBHJJSHGBFBJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109274
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(SCC(=O)N)cccc1	PC-id_8211706	391.511	GWZNOWNDEOXXGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109275
c1cnn(c2ccc(CN3CCN(Cc4nnc5n4CCCCC5)CC3)cc2)c1	CoCoCo_4838803,MCULE-1060882136,PC-id_40060433,ZINC22_97046559,CoCoCo_4838804,EMOLS-id_27414702	391.513	AYEZTZVRDHQTDH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-109276
CCCC1C=CC=c2c(=C1)ccn2Cc1ccc(cc1F)C(=N)N1CCCCC1	SCHEMBL18977710	391.524	ZNYXOIZBHRIXAB-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-109277
COC(=O)C1CC2C(O1)CCC(N2C(=O)c1sc2c(c1)CCCCCC2)C	EMOLS-id_110294599	391.524	FONGBCYKTDRMLX-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-109278
O=C1/C=CC=C(/C)C[C@H](C)OC(=O)CCC[C@@H](c2nc(C[C@H](O1)C)sc2)C	PC-id_145651981	391.524	BBQYYPMWZJJVPT-MARZOJBESA-N	00000000100000000111000000000010000000000000000000000000	31-01-109279
O=C(c1sc2c(c1)CCCCCC2)N1CCC(CC1)[C@@H]1OCCC1C(=O)O	PC-id_121973931	391.524	GWMUHKUWBCATMO-CVMIBEPCSA-N	00000010100010000100100000000010000000000000000000000000	31-01-109280
S(=O)(=O)(NC(CC(C)C)C(=O)O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194720	391.524	JPZYQWFAOVQSLU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-109281
s1c2CCCCCCc2cc1C(=O)NNC(=S)NCc1ccc(F)cc1	PC-id_8466553	391.526	VSMMTEDISFYCCD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109282
CC(NC(=O)C(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2)C	EMOLS-id_110235384,PC-id_51279034	391.528	HKVXSGMIIUXHQP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109283
N#Cc1c(NC(=O)C(N(CC2(O)CCOCC2)C)C)sc2c1CCCCC2	EMOLS-id_97694053	391.528	HVTBKXMJMOAAQW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109284
O=C1CC(CN1CCN1CCOCC1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_99386709	391.528	PZAKTZWXRVNCLS-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-109285
O=C(CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1)N1CCOCC1	EMOLS-id_11846595,CoCoCo_4091652,MCULE-7596663301,ZINC22_35343808,PC-id_16382117	391.528	VVTAJDXZOZJAAM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109286
O=C(N1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2)CN1CCOCC1	PC-id_36259997,EMOLS-id_110557424	391.528	YKWZSTHQYBWZQT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109287
O=C(N1CCOCC1)NC1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_319635547	391.528	ASTFHDFBBNDUGB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109288
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCCN(C1)C(=O)CCC	PC-id_60527729	391.528	WMZYKDKIIYMTHA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109289
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@H]1CCCN(C1)C(=O)CCC	PC-id_52374937	391.528	WMZYKDKIIYMTHA-HNNXBMFYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109290
s1c2c(CCCCC2)c(c1NC(=O)C1CCN(CC1)C(=O)C(C)C)C(=O)N	PC-id_60394437	391.528	ZMEXWALSIHJHAT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109291
s1c2CCCCCc2c(c1NC(=O)CCN(CC(C)C(=O)OC)CC)C#N	PC-id_56409278	391.528	CIFAQLSCMYQZKX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-109292
s1c2c(CCCCC2)c(c1NC(=O)CN1CC2N(CCC2)CC1)C(=O)OC	PC-id_22194009	391.528	ALPACWCGEVQMRC-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-109293
s1c2CCCCCc2c(c1NC(=O)CN(CC(C)C)CCC(=O)OC)C#N	PC-id_56185813	391.528	LVMJNNKPBSIQAQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-109294
s1c2CCCCCCc2cc1/C(=N/c1ccc(NS(=O)(=O)CC)cc1)/[O-]	PC-id_52717593	391.528	IABZTJIETZMITO-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-109295
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)N1CCOCC1	PC-id_60360894	391.528	NWCNRJGZZIXHSQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109296
s1c2CCCCCCc2cc1C(=O)NCc1c([N-]S(=O)(=O)C)cccc1	PC-id_52607279	391.528	DACPBRYGXVDRLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109297
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)C1CCCCC1	PC-id_24553570	391.528	MVTVGSPZILTRSE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109298
C1Cc2c(NCC1CC=Cc1cc(ccc1)OCc1ccccc1)sc(n2)N	PC-id_88527988,SCHEMBL9872151	391.529	UQIMQVJHIPATAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109299
Cc1ccc(cc1)/C(=C(/c1ccc(cc1)C)O)/Sc1nnc2n1CCCCC2	CoCoCo_3081534,CoCoCo_3081533	391.529	JXXUTVLBQDUJFH-QURGRASLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109300
Cc1ccc(cc1)/C(=C(c1ccc(cc1)C)/O)/Sc1nnc2n1CCCCC2	CoCoCo_3081535,CoCoCo_3081532	391.529	JXXUTVLBQDUJFH-DQRAZIAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109301
Cc1ccc(cc1)C(C(=O)c1ccc(cc1)C)Sc1nnc2n1CCCCC2	MCULE-8683117391,EMOLS-id_11746529,PC-id_16316283	391.529	RXMMAWKKIIGMDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109302
Cc1ccc(C(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccc(C)cc2)cc1	ZINC22_6097279,PC-id_7876781,CoCoCo_3081531	391.529	RXMMAWKKIIGMDT-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109303
Cc1ccc(C(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccc(C)cc2)cc1	ZINC22_6097283,PC-id_7876783,CoCoCo_3081530	391.529	RXMMAWKKIIGMDT-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109304
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc(cc1)OCc1ccccc1	SCHEMBL7291471,PC-id_19985726	391.529	NLNKECXIJWRFTG-QPJJXVBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109305
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1)OCc1ccccc1	SCHEMBL7291855,PC-id_19985708	391.529	SWBDZRXHLNCPKF-WEVVVXLNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109306
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1OCc1ccccc1	SCHEMBL7293229,PC-id_19985759	391.529	COSXUTLALLJFKK-UXBLZVDNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109307
s1c2CCCCCCc2cc1C(=O)N(Cc1ccncc1)Cc1cccnc1	PC-id_78792642	391.529	VMSWYHRDGRAFCT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-109308
s1c2CCN(CCc2nc1N)CC=Cc1ccc(OCc2ccccc2)cc1	PC-id_54117733	391.529	NLNKECXIJWRFTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109309
s1c2CCN(CCc2nc1N)CC=Cc1cc(OCc2ccccc2)ccc1	PC-id_54327587	391.529	SWBDZRXHLNCPKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109310
s1c2CCN(CCc2nc1N)CC=Cc1c(OCc2ccccc2)cccc1	PC-id_53732315	391.529	COSXUTLALLJFKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109311
CC(C(c1nnc2n1CCN(CC2)Cc1ccc(cc1)C)NS(=O)(=O)C)C	PC-id_45165912,ChEMBL-DNDi_CHEMBL17344492	391.531	IZHDOVYLHUQRDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109312
CC(C(c1nnc2n1CCN(CC2)Cc1ccccc1C)NS(=O)(=O)C)C	PC-id_45167289,ChEMBL-DNDi_CHEMBL78286181	391.531	OKFHXOQHZHFPBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109313
CC(C(c1nnc2n1CCN(CC2)Cc1cccc(c1)C)NS(=O)(=O)C)C	PC-id_45167360,ChEMBL-DNDi_CHEMBL83843113	391.531	KWURZZRHGXOLRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109314
COCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1sccc1C)C(C)C	CoCoCo_1196085,CoCoCo_1196086	391.531	DBWMWKVMCILGDY-GOSISDBHSA-N	00000000100100000101000000000010000000000000000000000000	31-01-109315
COCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1sccc1C)C(C)C	CoCoCo_1196087,CoCoCo_1196088	391.531	DBWMWKVMCILGDY-SFHVURJKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-109316
O=C(C(N1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2)C)NC1CC1	EMOLS-id_98015202	391.531	NZGNOSLGSCBJAR-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-109317
O=C(CN1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2)NC1CC1	EMOLS-id_101066659	391.531	OZHWZKYCEWBEQG-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-109318
O=C(N1CCCC(C1)N1CCNCC1=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101825190	391.531	GIKDWZHGEPLXKS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-109319
O=C(N1CCN(CC1)CC(=O)N1CCCC1)Nc1nc2c(s1)CCCCC2	EMOLS-id_110342156	391.531	KTDIDVFPYFIZMV-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-109320
O=C(N1CCN(CC1)C(=O)C1CCCN1C)Nc1nc2c(s1)CCCCC2	EMOLS-id_100395749	391.531	MPEJLYNSSCWYBY-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-109321
s1c(CN2CCn3c(nnc3CC2)C(NC(=O)COC)C(C)C)c(cc1)C	PC-id_45181251	391.531	DBWMWKVMCILGDY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-109322
N#CCCN(c1ccc(c(c1)C)N=Nc1sc2c(c1C#N)CCCCC2)CC	PC-id_102065702	391.532	XZCXOSOXIQHSIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109323
O=C(NCCS(=O)(=O)Cc1ccccc1)c1cc2c(s1)CCCCCC2	ZINC22_32916013,MCULE-1955791107,EMOLS-id_27425806,PC-id_40154835,CoCoCo_4866998	391.547	KIEAIPSBMJSWDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109324
s1c2CCCCCc2cc1C(=O)NCCCS(=O)(=O)Cc1ccccc1	PC-id_55663553	391.547	XOFAHBXQGAYGQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109325
s1c2CCCCCCc2cc1C(=O)NC(c1ccc(S(=O)(=O)C)cc1)C	PC-id_55433310	391.547	FTCCGQXZOJMFNI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109326
s1c2CCCCCCc2cc1C(=O)NCCCS(=O)(=O)c1ccccc1	PC-id_56143163	391.547	ICXSAPXHWOINMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109327
C1CCCCCC(c2cc1[nH]c2/C=C
/C(=CC(=N1)c1ccc[nH]1)OC)CCCC	CHEMBL1812867,PC-id_135515502,ChEMBL-DNDi_CHEMBL1812867	391.549	TXFXBRICRNFFRR-JLPGSUDCSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109328
CC1CCCCCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87588261	391.549	VESQLFSAGWGRFD-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109329
CC1CCCCCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3872763,PC-id_136414738	391.549	NXZDLIKQORBUFQ-LFVJCYFKSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109330
CCC1CCCCCCCCc2cc1c([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OC	ChEMBL-DNDi_CHEMBL1812866,PC-id_135475665	391.549	XEPVVPTUOMXJRW-JLPGSUDCSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109331
CCC1CCCCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_135433359	391.549	XEPVVPTUOMXJRW-LFVJCYFKSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109332
CCCC1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OCC	PC-id_87589592	391.549	GHUCJOYFBIPMNX-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109333
CCCC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OCC	PC-id_136607352	391.549	HCAUGNNGYAHYLM-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109334
CCCC1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OCC	SCHEMBL3884583,PC-id_136385027	391.549	HCAUGNNGYAHYLM-LFVJCYFKSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109335
CCCC1CCCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87589117	391.549	GSNDPCHSKNFGEB-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109336
CCCC1CCCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136414808,SCHEMBL3881169	391.549	SUCJIWLGPPRFRF-LFVJCYFKSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109337
CCCCC1CCCCCCc2c1cc([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_135476737	391.549	VKFOCULFEFSDPI-LFVJCYFKSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109338
CCCCC1CCCCCCc2c1cc([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OC	PC-id_135515499	391.549	VKFOCULFEFSDPI-JLPGSUDCSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109339
CCCCC1CCCCCCc2c1[nH]c(c2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136695283	391.549	BKCRQNNFTDJXIZ-XQNSMLJCSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109340
CCCCC1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3883214,PC-id_135528842	391.549	TXFXBRICRNFFRR-LFVJCYFKSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109341
CCCCC1CCCCCCc2c([nH]c1c2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_90473540	391.549	HXZQRSLEZAFLSZ-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109342
CCCCC1CCCCCCc2c([nH]c1c2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136635633	391.549	PCTHMTZCYIAHJA-JLPGSUDCSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109343
CC#C/C=CC(=C(C)C)C1CCCN(CC1)C(=O)c1cc2c([nH]1)CCCC(=N2)C	PC-id_144718918	391.549	ALJNAVAAOSPTNJ-GHXNOFRVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-109344
CCCC[C@@H]1CCCCCCc2c1cc([nH]2)C=C1N=C(C=C1OC)c1[nH]ccc1	UNPD226414	391.549	VKFOCULFEFSDPI-GOSISDBHSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109345
CCCC[C@H]1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_135999441,SCHEMBL3873673	391.549	TXFXBRICRNFFRR-MRSJDWDVSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109346
CCCC[C@@H]1CCCCCCc2cc1c([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136091604	391.549	TXFXBRICRNFFRR-GJQHCVRFSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109347
CCCC[C@H]1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136599051	391.549	TXFXBRICRNFFRR-SFHVURJKSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109348
CCCC[C@@H]1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136644590	391.549	TXFXBRICRNFFRR-GOSISDBHSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109349
CCCC[C@@H]1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3878100,PC-id_135999442	391.549	TXFXBRICRNFFRR-WCIBBKAISA-N	00000011110000000100100000000010000000000000000000000000	31-01-109350
CCCC[C@H]1CCCCCCc2cc1c([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OC	UNPD7759,PC-id_135843468	391.549	TXFXBRICRNFFRR-WSLHGYQHSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109351
CCCC[C@H]1CCCCCCc2[nH]c(/C=C/3N=C(c4ccc[nH]4)C=C3OC)cc12	CoCoCo_5556364,LI_61398,ZINC22_1767002,PC-id_136904689	391.549	VKFOCULFEFSDPI-WSLHGYQHSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109352
CCCC[C@H]1CCCCCCc2[nH]c(/C=C/N=C(c4ccc[nH]4)C=C3OC)cc12	CoCoCo_5556365,ZINC22_104186869,PC-id_136723295	391.549	VKFOCULFEFSDPI-MRSJDWDVSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109353
CCCC[C@@H]1CCCCCCc2[nH]c(/C=C/N=C(c4ccc[nH]4)C=C3OC)cc12	ZINC22_104186865,PC-id_136734367,CoCoCo_5556363,UNPD194632	391.549	VKFOCULFEFSDPI-WCIBBKAISA-N	00000011110000000100100000000010000000000000000000000000	31-01-109354
CCCC[C@@H]1CCCCCCc2[nH]c(/C=C/3N=C(c4ccc[nH]4)C=C3OC)cc12	ZINC22_1767006,PC-id_136904690,CoCoCo_5556366	391.549	VKFOCULFEFSDPI-GJQHCVRFSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109355
CC[C@@H]1CCCCCCCCc2cc1c([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OC	PC-id_135857417	391.549	XEPVVPTUOMXJRW-GJQHCVRFSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109356
CC[C@H]1CCCCCCCCc2cc1c([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136707797,UNPD169715	391.549	XEPVVPTUOMXJRW-WSLHGYQHSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109357
CCCOc1cc(=C2C=CC=N2)[nH]c1=Cc1c2CCCCCCCCCc(c2)[nH]1	PC-id_87588467	391.549	PTEMCSONEWUBJB-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109358
CCCOC1=CC(=N/C/1=C/c1c2CCCCCCCCCc(c2)[nH]1)c1ccc[nH]1	PC-id_136414751	391.549	OATRLPTYOHEPOL-JJIBRWJFSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109359
COc1cc(=C2C=CC=N2)[nH]c1=Cc1c2CCCCCCCCCCCc(c2)[nH]1	PC-id_88115195	391.549	RFYIHURWRXAREE-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109360
COc1cc(=C2C=CC=N2)[nH]c1=CC1CCCCCCCc2cc(c[nH]2)CCC1	PC-id_88014059	391.549	QXMGNBYWOVOTRW-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109361
COC1=CC(=N/C/1=C/c1c2CCCCCCCCCCCc(c2)[nH]1)c1ccc[nH]1	SCHEMBL7216095,PC-id_136416419	391.549	OBZCZQMXWLBGMP-JJIBRWJFSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109362
COC1=CC(=N/C/1=C/C1CCCCCCCc2cc(CCC1)c[nH]2)c1ccc[nH]1	PC-id_136346253,SCHEMBL6581172	391.549	NWSXBJBHQRVPQF-LFVJCYFKSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109363
COC1=CC(=NC1=CC1CCCCCCCc2cc(CCC1)c[nH]2)c1ccc[nH]1	PC-id_136346254,SCHEMBL6581175	391.549	NWSXBJBHQRVPQF-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109364
COC1=CC(=NC1=Cc1[nH]c2cc1[C@@H](CC)CCCCCCCC2)c1[nH]ccc1	UNPD220049	391.549	XEPVVPTUOMXJRW-SFHVURJKSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109365
COC1=CC(=N/C/1=C/c1[nH]c2cc1[C@@H](CC)CCCCCCCC2)c1[nH]ccc1	UNPD30077	391.549	XEPVVPTUOMXJRW-MRSJDWDVSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109366
N1=CC=C/C/1=c/1cc(OC)c(=Cc2cc3c([nH]2)CCCCCCC3CCCC)[nH]1	PC-id_429097,CNP0343499	391.549	GLQYXCDRQWZZRN-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109367
N1=CC=C/C/1=c/1cc(OC)c(=Cc2[nH]c3cc2C(CCCC)CCCCCC3)[nH]1	CNP0241492,PC-id_3080837	391.549	JFJGSGABCGVJGJ-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109368
N1=CC=C/C/1=c/1cc(OC)c(=Cc2[nH]c3cc2C(CC)CCCCCCCC3)[nH]1	CNP0334126,PC-id_75041290	391.549	LHGDELSTHOOWNP-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109369
N1=C(C=C(/C/1=Cc1cc2c([nH]1)CCCCCCC2CCCC)OC)c1ccc[nH]1	PC-id_135525753,CNP0394755	391.549	VKFOCULFEFSDPI-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109370
N1=C(C=C(/C/1=Cc1[nH]c2cc1C(CCC)CCCCCCC2)OC)c1ccc[nH]1	CNP0073642,PC-id_137274668	391.549	SUCJIWLGPPRFRF-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109371
N1=C(C=C(/C/1=C/c1[nH]c2cc1C(CC)CCCCCCCC2)OC)c1ccc[nH]1	CNP0163125	391.549	XEPVVPTUOMXJRW-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109372
N1=C(C=C(/C/1=Cc1[nH]c2cc1C(CCCC)CCCCCC2)OC)c1ccc[nH]1	PC-id_136598463,CNP0307972	391.549	TXFXBRICRNFFRR-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109373
O(c1c(=Cc2[nH]c3CCCCCCC(c2c3)CCCC)[nH]/c(=C/2N=CC=C2)/c1)C	PC-id_59896543	391.549	JFJGSGABCGVJGJ-INTXCLEASA-N	00000011110000000100100000000010000000000000000000000000	31-01-109374
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O(C1=CC(=NC1=Cc1[nH]c2CCCCCCCCCc1c2)c1[nH]c(cc1)C)CC	PC-id_70134112	391.549	AHANTOWRZPEQQC-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-109391
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CNC(=O)[C@@H](C(C)(C)C)C1CCN(Cc2n1c(nc2C(=O)N)C(C(C)C)C)C	PC-id_140605939	391.551	SKAGFQNDHRXJNC-XUJLQICISA-N	00000000100000000101000000000010000000000000000000000000	31-01-109395
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CN=C(NCC1OCCN(C1)CC(C)C)NCCc1nnc2n1CCCCC2	PC-id_111368889	391.554	UHUOHQAMLMMANR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109419
O=C(Nc1nc(CN2CCOCC2)cs1)c1cc2c(s1)CCCCCC2	MCULE-7289084035,ZINC22_22701356,PC-id_30547420,CoCoCo_3254731,EMOLS-id_29669676	391.551	YFYXWKHQMDHGDV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109399
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O(C(NC(=O)c1nc(n2c1CN(CCC2)C)C(=C(C)C)C)C(C)(C)C)CNC	PC-id_77922005	391.551	XPXRWNDNGRWSOV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109401
O=S1CCN(C(C1)c1cnn(c1)C)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_111769255	391.551	NHPCCGXDMYDKBE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-109402
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s1c2c(CCCCC2)c(c1NC(=O)CC[NH+](CC(=O)NC(C)C)CC)C#N	PC-id_52446728	391.551	ODZWAWWLBHMDJS-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-109404
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s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+](CC(=O)NC(C)(C)C)C)C)C#N	PC-id_34900501	391.551	IJUKKHNWVFFZCD-ZDUSSCGKSA-O	00000000100000000100000000000010000000000000000000000000	31-01-109407
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s1c2c(CCCCC2)c(c1NC(=O)C([NH+](CC(=O)NC(C)(C)C)C)C)C#N	PC-id_85492253	391.551	IJUKKHNWVFFZCD-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-109409
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1nc(sc1)C(C)C	PC-id_55691279	391.551	IRPTZBRBROUCAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109410
Cc1scc(n1)CN1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_93962428	391.554	GESYXUSVMHIDBA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109411
CCNC(=NCc1nnc2n1CCCCC2)NCC1OCCN(C1)CC(C)C	PC-id_111368805	391.554	UGNHFHJCTAMAFA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109412
CCNC(=NCc1nnc2n1CCCCC2)NCC(N1CCOCC1)C(C)C	PC-id_111930622	391.554	IMQLCPQBENVVGS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109413
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCN1CCOCC1	PC-id_110972237	391.554	ZMQXQEWVLQAKHO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109414
CCNC(=NCCCc1nnc2n1CCCCC2)N(CC(=O)N(CC)CC)C	PC-id_111009827	391.554	PAXCSWQUYAXJOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109415
CCNC(=NCCCc1nnc2n1CCCCC2)N(CC(=O)NC(C)(C)C)C	PC-id_111378704	391.554	UQLWPKFNCJLFOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109416
CCNC(=NCC(N1CCOCC1)C)NCCCc1nnc2n1CCCCC2	PC-id_111021427	391.554	YWEKIKRUEIAJJN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109417
CN=C(NCc1nnc2n1CCCCC2)NCC(N1CCOCC1)CC(C)C	PC-id_111935107	391.554	BRFDCEAPKGXUJA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109418
CN=C(NCC(N1CCOCC1)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111315828	391.554	PNAWWSPIYLTGSY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109420
COCCN1CCC(CC1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112078053	391.554	ZEVVHVDUEIFLIH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109421
O=C(N1CCCN(CC1)c1nccs1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103989	391.554	LCLFGIBHWMSSDX-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-109422
O=C(N1CCN(CC1)Cc1ncsc1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098355	391.554	JGAAOIAHGLJIMN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109423
O=C(Nc1sc2c(n1)CCCCCC2)NC1CCN(CC1)c1nccs1	EMOLS-id_101101082	391.554	SWUHXHVAEPCLRB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-109424
c1(c2CCCCCc2sc1NC(=O)CCC1CCCCC1)C(=O)OC(C)C	CoCoCo_6794271,PC-id_3326924,MCULE-2145897640,ZINC22_2741820,EMOLS-id_4069895,TIMTEC264902	391.567	KLCUPXOJSNKHMZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109425
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s1c2c(CCCCC2)c(c1NC(=O)CCC1CCCCC1)C(=O)OCCC	PC-id_5244553	391.567	GQHUXMLUGMIQMG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109427
s1c2c(CCCCCC2)c(c1NC(=O)CCC1CCCCC1)C(=O)OCC	PC-id_4988455	391.567	KOSQQHALZMBEFE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109428
CCCCN(C(=O)c1c(NC(=O)[C@H]2CCCN2)sc2c1CCCCC2)CC	PC-id_70990468,SCHEMBL13764945	391.571	VLAFATQAYMLHHL-MRXNPFEDSA-N	00000010100000000100000000000010000000000000000000000000	31-01-109429
O=C(C1CCC(CC1)NC(=O)C(C)(C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100969753	391.571	OBNBHZOPKIHWHI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109430
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s1c2c(CCCCC2)c(c1NC(=O)C1NCCC1)C(=O)N(CCCC)CC	PC-id_77964413	391.571	VLAFATQAYMLHHL-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-109432
s1c2c(CCCCC2)c(c1NC(=O)CCN(CC(C)(C)C)CCCO)C#N	PC-id_60273039	391.571	STYMOFOUFGBGQV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-109433
s1c2CCCCCCCCCCc2nc1NC(=O)CN1CCCCCC1=O	PC-id_30376825	391.571	SSQFQKAYUGTQOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109434
O=C(N1CCCc2c(C1)cnn2C)NCC1(CCCCC1)N1CCSCC1	EMOLS-id_101725248	391.574	DOKWVBYUXFIAMF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-109435
O=C(NC[C@H]([NH+]1CCC(CC1)C)C(C)C)NCCc1n2CCCCCc2nn1	PC-id_52303561	391.574	PCADGTWZWZUSME-SFHVURJKSA-O	00000000100010000101000000000010000000000000000000000000	31-01-109436
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CCN(CCCC(NC(=NC)NCCCc1nnc2n1CCCCC2)C)CC	PC-id_110998857	391.597	SHCQKKWWXUGKMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109442
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CCNC(=NCCCN(C(C)C)C(C)C)NCCc1nnc2n1CCCCC2	PC-id_111691292	391.597	WROWACVMGPTHDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109444
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O=C(N1CCCc2c(C1)cnn2C)NC1CCN(C1)c1ccc(c(c1)Cl)F	EMOLS-id_101703146	391.87	DZKCEQRAEIHMCC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-109461
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(C1)c1ccc(c(c1)F)Cl	EMOLS-id_101730282	391.87	RLHSUMKKEPNZNS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-109462
Clc1c(C(=O)N2CCC(=CN(C)C)Cc3sccc23)ccc([N+](=O)[O-])c1	SCHEMBL7306958,PC-id_54502621	391.872	YDMVPXVKIUHAJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109463
CN(/C=C
/CCN(c2c(C1)scc2)C(=O)c1ccc(cc1Cl)[N+](=O)[O-])C	SCHEMBL7306952	391.872	YDMVPXVKIUHAJZ-QXMHVHEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109464
O=C(CCn1c(=O)oc2cc(Cl)ccc12)Nc1nc2c(s1)CCCCC2	MCULE-6500616920,PC-id_47018019,ZINC22_12829155,EMOLS-id_44038050	391.872	UJQJPZDKLHOTFK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109465
O=C(Cn1nc2n(c1=O)CCCCC2)OCc1sc2ccccc2c1Cl	MCULE-7996936859,PC-id_30766115,ZINC22_22989992,EMOLS-id_27394876,CoCoCo_4692766	391.872	LAIDDMHIAKFNBZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109466
Clc1ccc(Cn2c3C(OCC(=O)ON)CCCCc3nc2C(C)C)cc1	SCHEMBL14563341,PC-id_71205788	391.892	AOGOYKNUSAMBLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109467
Clc1cc(CN2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)ccc1	CoCoCo_1286069,PC-id_42275042,CoCoCo_1286070	391.895	DCBFHHJMNMPVJS-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109468
Clc1cc(CN2CCn3c(nnc3[C@@H](NC(=O)CCOC)C)CC2)ccc1	CoCoCo_1286071,CoCoCo_1286072,PC-id_42275040	391.895	DCBFHHJMNMPVJS-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109469
Clc1cc(CN2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)ccc1	PC-id_45195850	391.895	DCBFHHJMNMPVJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109470
Clc1cc(NC(=O)NCCc2n3CCCCCc3nn2)ccc1OCCC	PC-id_60488442	391.895	VKPNUUKHQUJHHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109471
Clc1cc(NC(=O)NCCc2n3CCCCCc3nn2)c(OCCC)cc1	PC-id_60487499	391.895	BHKXWOFJLYTYSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109472
Clc1ccc(n2c(c(C=C(c3n4CCCCCc4nn3)C#N)cc2C)C)cc1	PC-id_78650318	391.897	XVMMHSYWERPADU-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-109473
Clc1ccc(n2c(c(/C=C(/c3n4CCCCCc4nn3)C#N)cc2C)C)cc1	PC-id_8275316	391.897	XVMMHSYWERPADU-QGOAFFKASA-N	00000000110000110101100000000010000000000000000000000000	31-01-109474
Clc1c(nc(N(CC)CC)nc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_48674366	391.898	LSKMLNWQHWPQCI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-109475
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Cl)C(=O)OC(C)C	SPECS-id_AK-968/12687208,TIMTEC188892,CoCoCo_5820202,PC-id_1743898,MCULE-7520253665,EMOLS-id_4070088,ZINC22_2085506	391.912	HEQROZJBVWXVIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109476
c1(NC(=O)c2ccc(cc2)Cl)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-1249711327,PC-id_4383186,TIMTEC180670,EMOLS-id_4070096,CoCoCo_5819317,ZINC22_2744865,SPECS-id_AK-968/12384077	391.912	GVIVEYHULIBXFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109477
c1(NC(=O)c2cccc(Cl)c2)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_6811420,PC-id_4165862,MCULE-5077646761,EMOLS-id_4070082,ZINC22_5474312,TIMTEC417208	391.912	QZAJXQZEHXVVDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109478
c1(NC(=O)Cc2ccc(Cl)cc2)sc2c(CCCCCC2)c1C(=O)OC	SPECS-id_AK-968/12975599,PC-id_1744426,EMOLS-id_2443585,ChEMBL-DNDi_CHEMBL7260685,MCULE-1131097774,CoCoCo_902437,ZINC22_2086089,TIMTEC343189	391.912	NUNJEXRSPABVEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109479
Clc1ccc(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_5116116	391.912	ZVWSTVYDQUVLJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109481
Clc1ccc([C@@H](NC(=O)COC(=O)c2sc3CCCCCc3c2)C)cc1	PC-id_7352156	391.912	AZIGWSQGZQIHNG-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109482
Clc1ccc([C@H](NC(=O)COC(=O)c2sc3CCCCCc3c2)C)cc1	PC-id_7352157	391.912	AZIGWSQGZQIHNG-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109483
Clc1ccc(C(NC(=O)COC(=O)c2sc3CCCCCc3c2)C)cc1	PC-id_78474839	391.912	AZIGWSQGZQIHNG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109484
Clc1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cc1	PC-id_4108032	391.912	DKHCJNBMCBAUGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109485
Clc1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cc1	PC-id_4289597	391.912	TYWSGPGRSCYVGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109486
Clc1cc([C@@H](NC(=O)COC(=O)c2sc3CCCCCc3c2)C)ccc1	PC-id_7352158	391.912	YDFGITUMPCYANP-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109487
Clc1cc([C@H](NC(=O)COC(=O)c2sc3CCCCCc3c2)C)ccc1	PC-id_7352159	391.912	YDFGITUMPCYANP-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109488
Clc1cc(C(NC(=O)COC(=O)c2sc3CCCCCc3c2)C)ccc1	PC-id_78474840	391.912	YDFGITUMPCYANP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109489
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc1	PC-id_4295413	391.912	CBBNLQIDABNGPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109490
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)ccc1	PC-id_4531743	391.912	NAVWQDKWJQKBEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109491
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cccc1	PC-id_5116164	391.912	MDWBFNUAOPPTQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109492
Clc1c(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cccc1	PC-id_4195664	391.912	VXRZLTABMXRJLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109493
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)c(cc(c1)C)C	PC-id_7351967	391.912	AODXRMJLEQYULA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109494
Clc1ccc(cc1)C(=O)c1c2-c(c(c1C)Cc1scc(n1)C)ccccc2	PC-id_139814854	391.913	CTUQVDFIGJXTTB-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-109495
c1(NC(=O)CCC(=O)Nc2ccc(cc2C)Cl)sc2c(CCCCC2)n1	EMOLS-id_334976677,MCULE-9717154551	391.915	VWYJRHSJBRCEQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109496
c1(NC(=O)CCC(=O)Nc2c(C)ccc(Cl)c2)sc2c(CCCCC2)n1	EMOLS-id_334960044,MCULE-4970014589	391.915	LFMPIMXYPATGGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109497
c1(NC(=O)CCC(=O)Nc2cccc(Cl)c2C)sc2c(CCCCC2)n1	EMOLS-id_334957985,MCULE-5990906222	391.915	PGZLHPQCFQTISZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109498
c1(NC(=O)CCC(=O)Nc2ccc(c(Cl)c2)C)sc2c(CCCCC2)n1	MCULE-6350566211,EMOLS-id_334970022	391.915	OMQWIOMUFFUROH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109499
c1(NC(=O)CCC(=O)NCc2ccccc2Cl)sc2c(CCCCC2)n1	EMOLS-id_335012249,MCULE-1741867491	391.915	WOEBIUVMARGHEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109500
c1(NC(=O)CCC(=O)NCc2cccc(Cl)c2)sc2c(CCCCC2)n1	MCULE-1151779707,EMOLS-id_334985647	391.915	LCWWRXGDHXUGJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109501
c1(NC(=O)CCC(=O)NCc2ccc(Cl)cc2)sc2c(CCCCC2)n1	MCULE-5376097265,EMOLS-id_335010448	391.915	GJTYJGJDPNZGNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109502
CC(C)CNC(=O)c1nc2CCN(CCc2s1)C(=O)c1ccc(Cl)cc1	EMOLS-id_44303914,ZINC22_96146973,PC-id_97442497	391.915	IOTWIXUEDQORRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109503
CCN(C(=O)c1nc2c(s1)CCN(CC2)C(=O)c1ccc(cc1)Cl)CC	PC-id_97524738	391.915	ONNSCLQDTMYZSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109504
CCNC(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)Cl)CCCCC2	PC-id_11596296,SCHEMBL4135545	391.915	HKVJVMMINQTUTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109505
Clc1cccc(c1)NC(=O)c1nc2c(s1)CCN(CC2)C(=O)CC(C)C	PC-id_97524661	391.915	RLBIYENXJJLJHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109506
c
(=NC(=O)C2CCCN(c3ccc(nn3)Cl)C2)/sc2c(CCCCC2)[nH]1	MCULE-7936065450,STOCK7S-32925,PC-id_60181341,EMOLS-id_46567507,EMOLS-id_44209380	391.918	WZXMOEPQCVBLIV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-109507
c1(sc2c(CCCCC2)n1)NC(=O)C1CCN(CC1)c1ccc(nn1)Cl	MCULE-1801449895,EMOLS-id_323404994	391.918	VOYBFZNQYMSRFZ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-109508
Clc1ccc(c(c1)NC(=O)C1CCn2c(CC1)nnc2)N1CCSCC1	EMOLS-id_278129719	391.918	BRCFCKFXWFSMLR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-109509
O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCCN(c2ccc(Cl)nn2)C1	PC-id_94161715,ZINC22_47990714	391.918	WZXMOEPQCVBLIV-GFCCVEGCSA-N	00000000100010100101100000000010000000000000000000000000	31-01-109510
O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCN(c2ccc(Cl)nn2)C1	ZINC22_47990713,PC-id_94161714	391.918	WZXMOEPQCVBLIV-LBPRGKRZSA-N	00000000100010100101100000000010000000000000000000000000	31-01-109511
Clc1c(SC(C(=O)Nc2sc3CCCCCc3c2C#N)C)nccc1	PC-id_24601969	391.938	RTESZCMQMWUBDY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-109512
CN=C(N(Cc1cc(cn1C)Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_109713533	391.941	BHSKXHVSEOZUDF-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-109513
Clc1ccc(CN2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)cc1	PC-id_30958829	391.961	LACFXDIHGOLPHI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-109514
Clc1cc(CN2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)ccc1	PC-id_39740257	391.961	QDHLFTKATJHKLX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-109515
Clc1cc(N2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)c(cc1)C	PC-id_8206679	391.961	AYDDXWBXIVUKJN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-109516
CC(C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682198	392.095	AITJADNIUBZXSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109517
CCC1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682230	392.095	ZMNHUADNWUQZBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109518
CC[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155062040	392.095	ZMNHUADNWUQZBW-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-109519
CN1C=C2C(=C1C(NC3=CC(=C(C=C3)F)C#N)O)OCC(NS2(=O)=O)C=C	PC-id_155062099	392.095	PQHADLGGYDRSLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109520
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@H](NS2(=O)=O)CO	PC-id_155253551	392.095	FEPNZFSUSSBXGI-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109521
CC(=C(C)OCCC(C)(C)OC1=CC2=C(CC#C1)NC=N2)CCBr	PC-id_155084323	392.11	GGZOYNAXMJPXLC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-109522
CNC1=CC(=C(C=C1)C2=CC=CC=C2)O/C/3=CCCCN4C(=NN=C4Cl)/C=C3	PC-id_155196541	392.14	KZARUSYDBXYJJP-KXQXEDJSSA-N	00000000100000110111100000000010000000000000000000000000	31-01-109523
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)C3=CSC=N3	PC-id_155203753	392.152	BMGOZAUQCVQCBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109524
C1CCC2=C(CC1)NN=C2C(=O)NCC3=CCN(CC3)C(=O)C4=CC=C(N4)C#N	MCULE-9099798393,EMOLS-id_317748950,PC-id_154788898	392.196	AJAPBVSZDOZLHX-UHFFFAOYSA-N	00000000110011000101000000000010000000000000000000000000	31-01-109525
CNc1nc(=O)c2c(nc(Br)n2Cc2ccc(OC)cc2)c(=O)[nH]1	PC-id_15954371,CHEMBL199474	392.207	WTDKQEKXQNYMNQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-109526
BrCC#Cc1c2n(CCCCC2CCO)c(c1)C(=O)C(F)(F)F	PC-id_76023336	392.211	QOXHNNAHTUGPKN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-109527
BrCC#Cc1c2n(CCCC[C@@H]2CCO)c(c1)C(=O)C(F)(F)F	PC-id_53360850	392.211	QOXHNNAHTUGPKN-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-109528
O=C(Nc1nc2n(n1)ccc(c2)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102024232	392.214	YRJYHCBGZCSIQH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109529
Clc1cc(Cl)c(cn1)C(=O)N1CCc2nnc(Cn3cccn3)n2CC1	ZINC22_2055713778,EMOLS-id_313728729	392.243	KLTXLJFTEVYUJF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-109530
Brc1ccc(cc1)C1(O)CN(C1)C(=O)C1CCn2c(CC1)nnn2	EMOLS-id_316647533	392.25	VCCJAVVZFSQXHR-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-109531
O=C(Nc1ccc(cc1)Br)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319377164	392.25	YTHQOCZBPJOPMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109532
O=C(Nc1ccc(c(n1)C1CC1)Br)NC1CCn2c(CC1)nnn2	EMOLS-id_102020644	392.254	KHXGNVULAXNLGW-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-109533
[Se](C1CCCc2n(cc(c2C1=O)C(=O)O)C(=O)O)c1ccccc1	PC-id_22563913	392.265	IVAMGFRIDRVBJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109534
C/C=CC=C(/C=C)C1CCCCN2C1=NC(=N2)NC3CCC(C3)N4C=C(N=C4)C	PC-id_155171586	392.269	ZPRYHQQIAICWBL-PJMHNYHVSA-N	00000010100000000101100000000010000000000000000000000000	31-01-109535
Brc1cn2nc(C(=O)N3CCc4sc(nc4CC3)C)cc2nc1	BindingDB_PC-id_71748080,TT-id_D0M3VE,PC-id_71748080	392.274	PPBYGUATKIHBBC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109536
Cc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1	BindingDB-id_300532	392.274	KNXALQNYXVYPMJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109537
C=C1NC2=C(S1)CCN(CC2)C(=O)c1nn2c(c1)ncc(c2)Br	PC-id_89830241,SCHEMBL15292412	392.274	JMOMIOLBBRBZID-UHFFFAOYSA-N	00000011100000100111000001000010000000000000000000000000	31-01-109538
CC1CC1(C)OCCC(C)(C)NC(=O)COC1CCCCCc2c1nnn2C	PC-id_164020295	392.279	UYUUHXUTBHCQAY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-109539
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1c(ccc(c1)Cl)Cl	PC-id_90625651	392.281	OUKYGBWECUUXTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109540
Clc1c([nH]c2c1cc(Cl)cc2)C(=O)NCCc1n2CCCCCc2nn1	PC-id_52413961	392.282	XLNPBCMEEQJGQD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-109541
BrCCCN1CCCC(=O)c2c1nn(c2)Cc1ccc(cc1)OC	SCHEMBL16242751,PC-id_117701622	392.29	LSQPIJYWXVCIPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109542
Brc1ccc(cc1)C(C(=O)NCc1nnc2n1CCCCC2)(N)C	PC-id_121794417,MCULE-3485373637,EMOLS-id_302847792	392.293	JAVIHYVJNCMXGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109543
Brc1ccc(cc1)CN(C(=O)NCc1nnc2n1CCCCC2)C	PC-id_86927509	392.293	WXEJOOVNEHDBSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109544
Cc1cc(ccc1Br)C(C(=O)NC1CCn2c(CC1)nnn2)(C)C	EMOLS-id_102176498	392.293	JPSOZBNTPGUEPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109545
Brc1sc(cc1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028451	392.295	DTEPTWWYBZQKOS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-109546
Cc1cc(c(s1)S(=O)(=O)NC1CCn2c(CC1)nnn2)Br	EMOLS-id_102026743	392.295	NBTSBXCEEYKHIQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-109547
Brc1cncc(c1)C1(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_97733411	392.313	WYLZNBMVIXNHMZ-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-109548
O=C1C(CCn2c(N1C)ccn2)NC(=O)c1ncn2c1cc(cc2)C(F)(F)F	SCHEMBL19641469	392.335	MOQIZIXRVOMGNO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109549
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1ncn2c1cc(cc2)C(F)(F)F	SCHEMBL18372765	392.335	MOQIZIXRVOMGNO-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-109550
Cc1cccc(C(C)(C)C(=O)N2CCCc3sc(Br)cc3C2)c1	ZINC22_2325825105	392.353	DQGABQXTXOBMJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109551
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)NO	SCHEMBL7312267,PC-id_88126387	392.36	MNUMEIFXTJQPEY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-109552
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2C)C(=O)NO	SCHEMBL8338305	392.36	BANBPPODRDRPQD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-109553
COCC(CONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O)O	PC-id_141055240	392.36	NNYWSDBASJJPDG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-109554
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)C2CC(F)(F)C2)c1	EMOLS-id_313761997,ZINC22_1565556335	392.375	DKOGJQMKZMHYGF-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-109555
c12nc(C)cc(C(F)(F)F)n1ncc2C(=O)NCc1c2CCCCCc2[nH]n1	MCULE-4458516435,ZINC22_670472567,EMOLS-id_222791131	392.378	KTPZHNAMQFKPIU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109556
Cc1ccc2c(n1)[nH]nc2NC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F	SYN-22967045,CoCoCo_507561,CoCoCo_507562,ZINC22_19661985,PC-id_46977914	392.378	YRVDWNPFRINQFG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109557
CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[C@@H]1CCc2nncn2CC1	ZINC22_898687472	392.378	LXHSXUPNACHLNW-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109558
CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[C@H]1CCc2nncn2CC1	ZINC22_898687473	392.378	LXHSXUPNACHLNW-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-109559
CN(C(=O)C1CCn2c(CC1)nnc2)Cc1[nH]c2c(n1)cc(cc2)C(F)(F)F	EMOLS-id_278439778	392.378	LXHSXUPNACHLNW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109560
FC(F)(F)c1n(CC(=O)NCc2n3CCCCCc3nn2)c2c(n1)cccc2	PC-id_51266278	392.378	BRRWRFAKLSBXCO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109561
COc1c(cc(c(c1)C(=O)Nc1nc2c(s1)C(=O)NCCC2)[N+](=O)[O-])OC	PC-id_90625426	392.386	HRSVXONALRMUTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109562
COC(=O)c1cc2CN(CCCn2n1)S(=O)(=O)c1ccc(o1)c1ccno1	MCULE-9340990215,EMOLS-id_32437806,ZINC22_65534064,PC-id_50985101	392.386	RSSVUZPNNIYWEG-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-109563
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)NCC(F)(F)F	PC-id_8943154	392.393	RZVGPUTYPIYUSL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-109564
COC(=O)c1c(NC(=O)c2ccc(c(c2)[N+](=O)[O-])F)sc2c1CCCCC2	PC-id_146160734,EMOLS-id_323879677	392.401	XTCMHDZSXLUKNX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109565
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F	PC-id_7352150	392.401	BBYYYQCBQALIGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109566
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1	PC-id_16509488	392.401	KZGNOQXYMJBTTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109567
s1c2c(CCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])ccc(F)c1)C(=O)OC	PC-id_52723139	392.401	BYNBGPXXHNLLBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109568
S(c1n2CCCCCc2nn1)c1nc(nc(c1)C(F)(F)F)c1ccncc1	PC-id_60329742	392.401	UOLQQLULNJVHKJ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-109569
S(c1n2CCCCCc2nn1)c1nc(nc(c1)C(F)(F)F)c1ncccc1	PC-id_60275936	392.401	QZFKCSYPSKUAGQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-109570
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OCC(NS2(=O)=O)(C)C	SCHEMBL18353535	392.405	CWCZSIYNOHXWDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109571
C1CN(CCn2c1nn(c2=O)Cc1ccccc1)C(=O)c1cc2c(cc1)OCO2	PC-id_91922499	392.408	SADKDKXNWJENHN-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-109572
c1(C(=O)NC2CC2)cc2n(CCCN(C(=O)c3ccc(cc3)n3cnnn3)C2)n1	MCULE-5230875081,PC-id_50968794,EMOLS-id_32407280,ZINC22_65422875	392.415	KGPUFYYCFUQWFF-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-109573
FC(Oc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)CCCCC2)(F)F	PC-id_112807955	392.416	YZZPVVNQHMLVOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109574
FC(Oc1ccccc1S(=O)(=O)Nc1nc2c(s1)CCCCC2)(F)F	PC-id_112808754	392.416	IWCFXYCZGFBBLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109575
FC(Oc1cccc(c1)S(=O)(=O)Nc1nc2c(s1)CCCCC2)(F)F	PC-id_112812717	392.416	RHGCQHGDTUEADM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109576
C1Cc2c(CNC1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20695999,PC-id_86270151	392.418	NAJSSIBCIQFJRE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-109577
FC(F)(F)c1cccc(c1)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	EMOLS-id_44370182,ZINC22_96259318,PC-id_97519402	392.418	HMTOCHICEMQCIS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-109578
FC(F)(F)c1ccc(cc1)C(=O)N1CCCn2cnc(CN3CCCC3)c2C1	PC-id_97519403,ZINC22_96259319,EMOLS-id_44370184	392.418	XISASAPBAIXWFP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-109579
COCCn1nc2n(c1=O)CCC(CC2)CC(=O)Nc1ccc(c(c1)F)OC	EMOLS-id_207877364,MCULE-6559497698	392.425	UYJWNVPVRKCSBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109580
c12C(=O)N(CCCn1nc(C(=O)Nc1ccccc1C)c2)Cc1cccc(F)c1	MCULE-3906886935,PC-id_53034525,EMOLS-id_32632948	392.426	NGHIACWOQJLUPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109581
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1C)F)c2)Cc1ccccc1	MCULE-8324141970,EMOLS-id_32632786,PC-id_53034491	392.426	WSKSLJHEUFHBLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109582
c12C(=O)N(CCCn1nc(C(=O)Nc1ccccc1F)c2)Cc1cccc(C)c1	PC-id_53034558,MCULE-8029540652,EMOLS-id_32633108	392.426	LIDHOKGUOKHPCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109583
c12C(=O)N(CCCn1nc(C(=O)Nc1cccc(C)c1)c2)Cc1ccc(cc1)F	EMOLS-id_32632860,PC-id_53034506,MCULE-4582076636	392.426	AUAHHQTUTBCDDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109584
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1)c2)Cc1ccc(cc1)F	PC-id_50797896,MCULE-9040008109,EMOLS-id_32846178	392.426	ANBDVYATUZDTPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109585
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1)c2)Cc1cccc(F)c1	MCULE-9109375391,PC-id_53034513,EMOLS-id_32632908	392.426	QOEKWNUPJRIPJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109586
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1F)c2)Cc1ccccc1	MCULE-1562942425,PC-id_50798097,EMOLS-id_32846050	392.426	JYCQZOOPIWTGOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109587
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)F)c2)Cc1ccccc1	PC-id_50798088,EMOLS-id_32846020,MCULE-7800165100	392.426	GWFYVQZLZVNLSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109588
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(F)c1)c2)Cc1ccccc1	PC-id_50798070,EMOLS-id_32846080,MCULE-3717705887	392.426	CFDFSNIUPOLSBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109589
Fc1cccc(c1)C(=O)N1CCc2ccc(C(=O)NCc3cccnc3)n2CC1	EMOLS-id_313771982,ZINC22_585111027	392.426	SVTOGBKBHBFKLO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109590
O=C(Nc1cccc(CN[C@H]2CCNC(=O)c3[nH]ccc23)c1)c1ccc(F)cc1	ZINC22_2325856752	392.426	ADCPIHLKMJRLCN-IBGZPJMESA-N	00000000100000110100000000000010000000000000000000000000	31-01-109591
O=C(Nc1cccc(CN[C@@H]2CCNC(=O)c3[nH]ccc23)c1)c1ccc(F)cc1	ZINC22_2325856753	392.426	ADCPIHLKMJRLCN-LJQANCHMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109592
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1onc(c1)C)C(=O)OC	PC-id_8330771	392.426	CZBYPXFVFWPNEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109593
c12CCCCCc1c(C(=O)OCC)c(NC(=O)Cn1ccc(N(=O)=O)n1)s2	PC-id_4976704,MCULE-6191853090,CoCoCo_1983231,TIMTEC149881,EMOLS-id_6813324,ZINC22_4698572	392.429	FMWIIJHPRRLRCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109594
c1(NC(=O)C(C)n2ncc(N(=O)=O)c2)sc2c(CCCCC2)c1C(=O)OC	PC-id_4916223,MCULE-2993437220,EMOLS-id_6803046,TIMTEC275862	392.429	KXGSESNOXIYZOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109595
c1(NC(=O)Cn2ncc(N(=O)=O)c2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_672983,SPECS-id_AN-153/I138336,EMOLS-id_2515713,CoCoCo_566989,SPECS-id_AK-968/15253087,MCULE-8338945748,PC-id_1012144,TIMTEC65241	392.429	AWRKPXGZZFTRNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109596
COc1cc(cc(c1OC)OC)NC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625546	392.429	QMVDVHJBODYPLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109597
COC(=O)c1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCCCC2	CoCoCo_1979740,ZINC22_4686784,PC-id_7319499	392.429	KXGSESNOXIYZOS-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-109598
COC(=O)c1c(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCCCC2	ZINC22_4686787,PC-id_7319500,CoCoCo_1979741	392.429	KXGSESNOXIYZOS-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109599
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)n(C)nc(C)c1N(=O)=O	PC-id_994366,GD-id_ZINC00647826,ZINC22_647826,EMOLS-id_4070440,TIMTEC384283,CoCoCo_5806284,MCULE-2494558190	392.43	POIPSPOXZDIOJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109600
COC(=O)c1cc2CN(CCCn2n1)S(=O)(=O)c1ccc(NC(=O)C)cc1	EMOLS-id_32413160,ZINC22_65435442,MCULE-9993886423,PC-id_50971939	392.43	JWYGHLSWULUEBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109601
COc1ccccc1Nc1nc2c(s1)C=NNC(=O)/C/2=Cc1ccccc1O	PC-id_135829277	392.431	SOSZJHRJKUIGBB-RAXLEYEMSA-N	00000000100000110111000000000010000000000000000000000000	31-01-109602
s1c2=CNNC(=O)C(=c2nc1Nc1c(OC)cccc1)/C=C
/C(=O)C=CC=C1	PC-id_16742432	392.431	MJOBIFHWJYYXEL-ZRDIBKRKSA-N	00000000100011110111000000000010000000000000000000000000	31-01-109603
FC1C=CC=c2c(=C1)[nH]cc2CCNCc1cccc(c1F)Oc1ccccc1	PC-id_142174019	392.441	LBZIXMPDBBCIAE-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-109604
CCOC(=O)c1c2-c(c(c1Cc1cccc(c1)C)C(=O)OCC)ccc(cc2)O	PC-id_139647529	392.444	CEUVZEPOMQDQSV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-109605
CCOC(=O)c1c2-c(c(c1Cc1ccccc1C)C(=O)OCC)ccc(cc2)O	PC-id_139647530	392.444	OZCXITIYNPWKKB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-109606
CCNC(=NCc1ccccc1OC(F)F)NCc1nnc2n1CCCCC2	PC-id_111865370	392.446	FCOHFOYRDNXRHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109607
CN=C(N(Cc1ccc(cc1)OC(F)F)C)NCc1nnc2n1CCCCC2	PC-id_111288119	392.446	PIHOIEMBQOVTQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109608
CN=C(NCc1ccccc1OC(F)F)NCCc1nnc2n1CCCCC2	PC-id_111865496	392.446	IQIZPCYZXAVVNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109609
CN=C(NCc1nnc2n1CCCCC2)NCc1cc(C)ccc1OC(F)F	PC-id_109659077	392.446	HKBYYNVFXWBZBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109610
CCOc1cc(C(=O)N2CCCc3occc3C2)ccc1OCc1cccnc1	MCULE-5510298442,EMOLS-id_177278002,ZINC22_585083991	392.448	MVXDBEPEEMKHRY-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-109611
Fc1ccccc1N1CCN(CC1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	EMOLS-id_33086320,MCULE-6987180968,PC-id_53182800	392.448	YUWILCVPHHDUHE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-109612
Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	MCULE-9692277703,PC-id_53182836,EMOLS-id_33086480	392.448	VMYYOFHUNRUDMK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-109613
Fc1ccc(cc1)S(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	EMOLS-id_44370318,PC-id_97519469,ZINC22_96259385	392.448	DBCFODHMCQCXJX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-109614
Fc1cccc(c1)S(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	EMOLS-id_44370322,ZINC22_96259387,PC-id_97519471	392.448	RXCYKMWVEVDEFY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-109615
Fc1ccccc1S(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	PC-id_97519470,EMOLS-id_44370320,ZINC22_96259386	392.448	AIESPQAUFZYNRN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-109616
CC1CCC(=O)c2c(ncn2CC(=O)NC(CC(C)C)C(=O)OC)N(C1=O)C	PC-id_134517947,SCHEMBL20161802	392.449	RFOOWYBJXQKLPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109617
s1c2CCCCCc2cc1C(=O)OCC(=O)C1C(=[N+](C(=O)N(C1=O)C)C)N	PC-id_78287920	392.449	LSAVOTIHDWDSNJ-UHFFFAOYSA-O	00000000100011000101000000000010000000000000000000000000	31-01-109618
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(c(c1)n1cccc1)C	MCULE-8606542251,ZINC22_91602979,EMOLS-id_46054061,PC-id_72877868	392.451	SYKJBNICHFUWRX-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-109619
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(C)o1)c2)Cc1ccc(cc1)C	MCULE-9556808065,PC-id_50797844,EMOLS-id_32846136	392.451	JKSVCTASTHNKJL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-109620
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccco1)c2)Cc1ccc(cc1)C	EMOLS-id_32846164,PC-id_50797963,MCULE-1762584866	392.451	JVKJWXSYBLFGIM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-109621
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccco1)c2)Cc1cccc(C)c1	EMOLS-id_32633244,MCULE-3250734654,PC-id_53029198	392.451	XWRIXEHHOCTBJL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-109622
c12C(=O)N(CCCn1nc(C(=O)NC(C)Cc1ccco1)c2)Cc1ccccc1	EMOLS-id_32632794,PC-id_53029174,MCULE-7094033274	392.451	GOMCMNNLOCTXDL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-109623
c1(cn2c(CCN(CC2)C(=O)c2c(C)nsn2)n1)C(=O)N1CCC(CC1)F	MCULE-5519093201,EMOLS-id_331096593,ZINC22_1875243784	392.451	XDUHVUWTUUFSRN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109624
Cc1c(ccc(c1)OC)C(=O)N1CCc2nn(c(=O)n2CC1)Cc1ccccc1	PC-id_91922497,MCULE-1905951001,EMOLS-id_50585969	392.451	ZCLYUBLXTGAJBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109625
Cc1cccc(OCC(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)c1	MCULE-3151888295,EMOLS-id_50585979,PC-id_91910702	392.451	PNZQCOMTDCRHHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109626
Cc1ccc(Oc2ccc(NC(=O)Cn3nc4n(c3=O)CCCCC4)cc2)cc1	PC-id_32289456,CoCoCo_4691162,MCULE-6129476241,ZINC22_24979550,EMOLS-id_17213368	392.451	LTPNFQREFCYBSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109627
C[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)Cc1ccco1	PC-id_93059132	392.451	GOMCMNNLOCTXDL-INIZCTEOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-109628
C[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)Cc1ccco1	PC-id_93059133	392.451	GOMCMNNLOCTXDL-MRXNPFEDSA-N	00000000101000110101000000000010000000000000000000000000	31-01-109629
CCOc1ccccc1C(=O)N1CCc2nn(c(=O)n2CC1)Cc1ccccc1	PC-id_91922489,EMOLS-id_50586583,MCULE-8859673211	392.451	JOMYPZDYODAKQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109630
CN1CCNc2c(C1=O)n(c(n2)COc1cccc(c1)OC)Cc1ccccc1	PC-id_134804861	392.451	KSZSANYBDHQZGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109631
COc1ccc(cc1)c1cc(ccc1OC)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319698712	392.451	LEXLZAPBCDXUIK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109632
COc1ccccc1CC(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	MCULE-3649038695,EMOLS-id_50585983,PC-id_91922516	392.451	WMRVAINPPBPAJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109633
COc1ccc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)NCc1ccncc1	PC-id_134805564	392.451	KVGLKUXDPCWONN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109634
COc1ccccc1Oc1ccc(cc1)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316632918	392.451	CMILDLRAZWBGJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109635
COc1cc(ccc1O)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	ZINC22_71278803,MCULE-9969537651,EMOLS-id_36467599,PC-id_56723476	392.451	LCIBZODSJXPZDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109636
COc1cccc(CC(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)c1	EMOLS-id_50585957,MCULE-4384076234,PC-id_91910696	392.451	YFPQEZGISRCEFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109637
COc1ccc(O)c(c1)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	MCULE-8564777124,PC-id_56712954,ZINC22_67692122,EMOLS-id_36446031	392.451	FJFWYJYXRTYFTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109638
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)COCc1ccccc1	EMOLS-id_50585981,MCULE-9861264217,PC-id_91910703	392.451	PKGSJJYUYQIVGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109639
O=c1n2CCCCCc2nn1CC(=O)N(c1ccc(Oc2ccccc2)cc1)C	PC-id_56202235	392.451	COQQLUHXTKYVFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109640
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(Oc2cc(ccc2)C)cc1	PC-id_55585499	392.451	UROZJCLETGOOFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109641
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(Oc2ccccc2)ccc1	PC-id_55688703	392.451	LFMUDQGXFAOZIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109642
O=c1n2CCCCCc2nn1CC(=O)NCc1c(Oc2ccccc2)cccc1	PC-id_56177249	392.451	BKSYUSUFOAWAGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109643
O(C1N(c2ncn(c2C(=O)NC1)Cc1ccc(OC)cc1)Cc1ccccc1)C	PC-id_71770155	392.451	XZTGGOGLZUIDPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109644
O=C(c1cccc(c1)Cn1nc2c(c1)C(=O)NCC(C2)(C)C)NCc1ccco1	MCULE-5032286857,EMOLS-id_316445808	392.451	GJYGZNHOLMLAFJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-109645
O=C(c1noc2c1CCCCC2)N1CCN(CC1)C(=O)c1[nH]c2c(c1)cccc2	EMOLS-id_111830087	392.451	NMTVERGMFYPYTG-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-109646
O(CC(=O)NCc1n2CCCCCc2nn1)c1ccc(Oc2ccccc2)cc1	PC-id_51331960	392.451	ZNGPLUBBBBBWLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109647
c12nnnn1CCCCC2C(=O)N1CCC(CC1)(OC)C(=O)N1CCOCC1	PC-id_154570991,EMOLS-id_324181024,MCULE-1486382470	392.453	LBVIPGYKCDNQQD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109648
COC1(C(=O)N2CCOCC2)CCN(C(=O)[C@H]2CCCCn3nnnc23)CC1	ZINC22_1857706219	392.453	LBVIPGYKCDNQQD-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109649
COC1(C(=O)N2CCOCC2)CCN(C(=O)[C@@H]2CCCCn3nnnc23)CC1	ZINC22_1857706220	392.453	LBVIPGYKCDNQQD-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109650
O=c1n2CCCCCc2nn1CC(=O)N1CCN(CC1)C(=O)C(=O)NC(C)C	PC-id_55582188	392.453	XXAJTDLVYPSWHN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109651
c12C(CCCCn1nnn2)C(=O)NCc1cccnc1Oc1c(C)cccc1C	MCULE-7124981011,PC-id_56753841,EMOLS-id_36601865	392.454	LTKGTWDVDGYFDS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109652
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccccc3O)CCn12	MCULE-9902308544,EMOLS-id_20527003,PC-id_45199626	392.454	IPJQEDUJNKVSNN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109653
c1(CC(=O)N2CCn3c(CC2)nc(Cc2ccccc2)n3)c(C)nc([nH]c1=O)C	MCULE-9872169084,EMOLS-id_337835657,ZINC22_2356169391	392.454	AGMLENIMHHLASE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109654
c1(cnc2ccccn12)C(=O)N1CCCn2nc(CCC(=O)NC3CC3)cc2C1	PC-id_72880852,ZINC22_91621337,EMOLS-id_46056193,MCULE-3553801853	392.454	RRKZZLCLQKVDCY-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-109655
c1(C(=O)Nc2ccccc2)cc2n(CCCN(C2)C(=O)C(CC)n2cccn2)n1	MCULE-6272172160,EMOLS-id_32421510,PC-id_50976365	392.454	OFNGFMVLCYVRTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109656
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCc1c[nH]nc1C	CoCoCo_2544548,CoCoCo_2544547,PC-id_46347982	392.454	CAFXTOLAIOQVNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109657
Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]1CCCCn2nnnc12	PC-id_95215194,ZINC22_67821681	392.454	LTKGTWDVDGYFDS-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109658
O=C(N1CCN(CC1)C(=O)c1cc2c([nH]1)cccc2)C1CCc2n(CC1)cnn2	EMOLS-id_319035743	392.454	IYJYUSLYFGJNRO-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-109677
Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@H]1CCCCn2nnnc12	PC-id_95215195,ZINC22_67821683	392.454	LTKGTWDVDGYFDS-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109659
Cc1nn(c2ccccc2)c(C)c1C(=O)C(=O)NCc1nnc2n1CCCCC2	ZINC22_24927941,CoCoCo_4625772,MCULE-8304118093,EMOLS-id_17221986,PC-id_24250701	392.454	HTDMZENRCYWXDX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109660
C/C(=C/c1ccco1)/CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccn1	CoCoCo_1148091,CoCoCo_1148093	392.454	DTRQKSWGRHSDBO-SSZFMOIBSA-N	00000000101000101101000000000010000000000000000000000000	31-01-109661
C/C(=Cc1ccco1)/CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1	ZINC22_64015362,PC-id_42324170,CoCoCo_1148092,CoCoCo_1148094,EMOLS-id_44851297	392.454	DTRQKSWGRHSDBO-DTQAZKPQSA-N	00000000101000101101000000000010000000000000000000000000	31-01-109662
CC[C@H](C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1)n1cccn1	PC-id_95137913,ZINC22_65467478	392.454	OFNGFMVLCYVRTQ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109663
CC[C@@H](C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1)n1cccn1	ZINC22_65467472,PC-id_95137909	392.454	OFNGFMVLCYVRTQ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-109664
C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccccc1O)CC2	PC-id_42372170,CoCoCo_1310420,ZINC22_12041229,CoCoCo_1310421	392.454	IPJQEDUJNKVSNN-HNNXBMFYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109665
C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccccc1O)CC2	ZINC22_12041226,CoCoCo_1310419,PC-id_42372167,CoCoCo_1310418	392.454	IPJQEDUJNKVSNN-OAHLLOKOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109666
COc1ccccc1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1	ZINC22_20598262,EMOLS-id_20486565,PC-id_29084380,CoCoCo_1252076,CoCoCo_1252077,ChEMBL-DNDi_CHEMBL25288954,MCULE-2269042336	392.454	UKSBKHYAPKNCDM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109667
COc1ccccc1C(=O)NCc1nnc2CCN(Cc3ccccn3)CCn12	CoCoCo_1205886,MCULE-5184002328,ChEMBL-DNDi_CHEMBL19609539,ZINC22_11995509,CoCoCo_1205887,EMOLS-id_20454017,PC-id_42340284	392.454	RJVGNMJTRKHRTG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109668
COc1ccccc1C(=O)NCc1nnc2CCN(Cc3cccnc3)CCn12	ZINC22_11976241,EMOLS-id_232707968,CoCoCo_1162836,MCULE-4826138932,CoCoCo_1162835,PC-id_42326956	392.454	FLTSSGRQRYSRDH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109669
n12CCC(CCc1nn(Cc1ccncc1)c2=O)C(=O)NCCc1cccnc1	MCULE-1834169798,EMOLS-id_207877116	392.454	GIBGCFKFXBEXKO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-109670
n12CCN(CCc1nnc2CCNC(=O)c1cccnc1)Cc1ccccc1O	ZINC22_20455361,EMOLS-id_20484637,CoCoCo_1249259,PC-id_28957722,CoCoCo_1249258,ChEMBL-DNDi_CHEMBL24920717,MCULE-7103313852	392.454	KUYHQCSZYPHAIW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109671
n12CCN(CCc1nnc2CNC(=O)c1ccccn1)CC(=Cc1ccco1)C	PC-id_74792185,MCULE-9245345560	392.454	DTRQKSWGRHSDBO-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-109672
N#Cc1ccc(cc1)N1CCCC(C1=O)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101707799	392.454	WKKZUNCIWKBJFF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-109673
O=C1N(CCCn2nc(cc12)C(=O)NCCc1[nH]cnc1)Cc1ccc(cc1)C	PC-id_50797886	392.454	YFGXAXXMVINLJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109674
O=C1N(CCCn2nc(cc12)C(=O)NCCc1[nH]cnc1)Cc1cc(ccc1)C	PC-id_53029189	392.454	MSFARFPSXSCKET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109675
O=C(c1cc2n(n1)CCCO2)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_100008134	392.454	UQEAXBQWJFRAGJ-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-109676
c1(C(C(C)C)NC(=O)c2cnc(nc2)c2cccnc2)nnc2CCNCCn12	PC-id_56716601,MCULE-5642522743,EMOLS-id_36453529	392.458	PUSPDZWJSTXZED-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-109678
CC(C)[C@H](NC(=O)c1cnc(c2cccnc2)nc1)c1nnc2n1CCNCC2	PC-id_95215086,ZINC22_67821345	392.458	PUSPDZWJSTXZED-KRWDZBQOSA-N	00000000100000101101100000000010000000000000000000000000	31-01-109679
CC(C)[C@@H](NC(=O)c1cnc(c2cccnc2)nc1)c1nnc2n1CCNCC2	ZINC22_67821347,PC-id_95215087	392.458	PUSPDZWJSTXZED-QGZVFWFLSA-N	00000000100000101101100000000010000000000000000000000000	31-01-109680
O=C(C1CSCN1C(=O)c1cc2c(s1)CCCCC2)NCC(F)(F)F	MCULE-2678004920,PC-id_56797959,EMOLS-id_37007169	392.459	SKHRDRDCRXSMMZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109681
O=C(NCC(F)(F)F)[C@H]1CSCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_94660406,ZINC22_56980924	392.459	SKHRDRDCRXSMMZ-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109682
O=C(NCC(F)(F)F)[C@@H]1CSCN1C(=O)c1cc2c(s1)CCCCC2	PC-id_94660407,ZINC22_56980925	392.459	SKHRDRDCRXSMMZ-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-109683
O=C([C@@H]1CC[N@H+](CC1)Cn1nc2n(c1=S)CCCCC2)NCC(F)(F)F	GD-id_ZINC26689026	392.463	QVBZUACLCZMQDC-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-109684
s1c2CCCCCc2cc1C(=O)N(CC)CC(=O)Nc1c(F)cccc1F	PC-id_38369554	392.463	YUAPEQADVNPBRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109685
s1c2CCCCCCc2cc1C(=O)NC(c1cc(F)c(F)cc1)C(=O)NC	PC-id_55500686	392.463	CKYCPDBYWZPDSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109686
FC(Oc1cccc(c1)C[NH+]1CCN(CC1)Cc1nnc2n1CCCCC2)F	GD-id_ZINC50959452	392.466	HWBAGMKXQWHZQZ-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-109687
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C#N	MCULE-9890241415,PC-id_7254480,EMOLS-id_5565704,CoCoCo_5138486,ZINC22_4496414,ChEMBL-DNDi_CHEMBLF2536-1804	392.468	QQXVJSDULNDXEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109688
C1CN(CCn2c1ncc2C(=O)NCc1cc(ccc1)F)CCc1ccccc1	PC-id_134807153	392.469	MAZGLGBBOFJYST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109689
C1CN(CCn2c1ncc2C(=O)NCc1ccc(cc1)F)CCc1ccccc1	PC-id_134807163	392.469	MWPJZIBOJMQVEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109690
Cc1cc(c(cc1N=C(C)c1c2-c(ccccc2)[nH]c1=O)N1CCN(CC1)C)F	PC-id_136478305	392.469	NWQIMPQFKORHPX-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-109691
CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCCCC3)NC(=O)NC1C	PC-id_16338663,MCULE-6163618100,EMOLS-id_43703951	392.469	QDZSQHRGCMUHPA-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-109692
CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCCCC3)NC(=O)N[C@@H]1C	ZINC22_4767986,PC-id_7352070,CoCoCo_2861403	392.469	QDZSQHRGCMUHPA-LLVKDONJSA-N	00000000100011000101000000000010000000000000000000000000	31-01-109693
CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCCCC3)NC(=O)N[C@H]1C	ZINC22_4767988,PC-id_7352069,CoCoCo_2861402	392.469	QDZSQHRGCMUHPA-NSHDSACASA-N	00000000100011000101000000000010000000000000000000000000	31-01-109694
CN1CCN(CC1)c1cc(/N=C(/c2c(=O)[nH]c3-c2ccccc3)C)c(cc1F)C	SCHEMBL13077143	392.469	NWQIMPQFKORHPX-PCLIKHOPSA-N	00000010100010110111100000000010000000000000000000000000	31-01-109695
s1c(C(=O)c2c3-c(cc2)ccccc3)ccc1C(=O)c1c2-c(cc1)ccccc2	PC-id_85968738	392.469	LXQJTXHBHYFDHB-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-109696
Oc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709992	392.471	YDHSPOJVZSLVOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109698
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)NC(=O)c1ccccc1O	PC-id_139709928	392.471	BBBQZLQHNPIFHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109699
Cc1cc(C(=O)O)cc(S(=O)(=O)NCCc2nnc3n2CCCCC3)c1C	MCULE-2918464870,ZINC22_12976471,CoCoCo_4656238,PC-id_25641662,EMOLS-id_316836467	392.473	QPINGOUFZZBRNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109700
CCOc1cccc(c1)C(=O)NCc1cc2CN(CCCn2n1)S(=O)(=O)C	PC-id_72893650,EMOLS-id_46065533,MCULE-2964737606,ZINC22_91665597	392.473	AFUKPPZXSZJIDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109701
Cn1c(=O)n2CCC(CCc2n1)N(C)C(=O)Cc1ccc(cc1)S(=O)(=O)C	PC-id_91922701	392.473	IUSCXPDGNRZTAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109702
Cn1c(=O)n2CCC(CCc2n1)N(C)C(=O)CCS(=O)(=O)c1ccccc1	PC-id_91922698	392.473	XDMAJNXBBATLCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109703
CN(Cc1nnc2n1CCOCC2)S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2	MCULE-3594305763,ZINC22_1615547502,EMOLS-id_320325321	392.473	GHWMSRKTUAPLOT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-109704
COc1cccc(c1)S(=O)(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97405202	392.473	XLFGWYQLKLMCHG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-109705
COc1cccc(c1)S(=O)(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922689,MCULE-6144067882,EMOLS-id_50590526	392.473	IOSFFJGYFPGCNW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-109706
COCCn1nc2CCN(CCn2c1=O)S(=O)(=O)c1ccc2CCCc2c1	MCULE-4374728595,EMOLS-id_50585727,PC-id_91910671	392.473	PJFAPIIJDQHGRI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-109707
CS(=O)(=O)CCC(=O)N1Cc2cncn2C[C@@H](COCc2ccncc2)C1	ZINC22_2055729740	392.473	FEUMKQUIBVAALN-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-109708
CS(=O)(=O)CCC(=O)N1Cc2cncn2C[C@H](COCc2ccncc2)C1	ZINC22_2055729741	392.473	FEUMKQUIBVAALN-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-109709
CS(=O)(=O)CCC(=O)N1CC(COCc2ccncc2)Cn2cncc2C1	EMOLS-id_313741761	392.473	FEUMKQUIBVAALN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-109710
O=C(N1CCCc2c(C1)cnn2C)c1oc(c(c1)S(=O)(=O)N1CCCC1)C	EMOLS-id_112009718	392.473	OBQFNXOVNVXQKC-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-109711
O=S(=O)(c1ccc(cc1)OCc1nnc2n1CCCCC2)N1CCOCC1	EMOLS-id_100804916	392.473	MTXFWINYGCQWMQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-109712
O=S(=O)(CC1COCCO1)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337772595,MCULE-3334841286	392.473	STCVBSRHZKCUBR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-109713
O=S(=O)(C[C@@H]1COCCO1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356147845	392.473	STCVBSRHZKCUBR-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-109714
O=S(=O)(C[C@H]1COCCO1)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356147846	392.473	STCVBSRHZKCUBR-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-109715
c1(c2CCCCCc2sc1NC(=O)c1cnccn1)C(=O)Nc1ccccc1	ZINC22_17080176,MCULE-2110637199,TIMTEC575855,CoCoCo_6834314,PC-id_17087358,EMOLS-id_4070626	392.474	YOASNQMGKAZNSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109716
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)NC(c1ccccc1)c1ccccc1	PC-id_90625560	392.474	ULCCFGSCYYQRIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109717
c1(NC(=O)C2=NN(C(=O)CC2)c2ccccc2)sc2c(CCCCC2)c1C#N	MCULE-2900980915,STOCK6S-05308,ZINC22_5488063,PC-id_7711229,EMOLS-id_4732541	392.474	MBIGKVKJUOMEBV-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-109718
NC(=O)c1c(NC(=O)c2cnc(c3ccccc3)nc2)sc2c1CCCCC2	MCULE-5753325528,ZINC22_67657821,PC-id_60585828,EMOLS-id_48222044	392.474	USQUUZTYKKJAKZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109719
O=C1CN(Cc2ccccc2)C(=O)c2c(N1C)nc(s2)NCc1ccccc1	PC-id_142739055	392.474	WADSGAXEJNUYIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109720
O=C1CN(C)C(=O)c2c(N1Cc1ccccc1)nc(s2)NCc1ccccc1	PC-id_142739044	392.474	NWYXDPLDXLDWSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109721
O=C(c1nc2c(s1)CCN(CC2)C(=O)c1cccnc1)NCc1ccccc1	PC-id_97524675	392.474	FNLGMDOVKCVSLC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109722
O=C(c1nc2c(s1)CCN(CC2)C(=O)c1ccncc1)NCc1ccccc1	PC-id_97524674	392.474	WTHPVLWYVFVOJF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109723
O=C(Cc1ccccc1)N1CCc2nc(sc2CC1)C(=O)Nc1cccnc1	ZINC22_96146921,EMOLS-id_44303810,PC-id_97442445	392.474	XNAOPCUKYLOKNH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109724
O=C(Cc1ccccc1)N1CCc2nc(sc2CC1)C(=O)Nc1ccncc1	ZINC22_96264732,EMOLS-id_44379296,PC-id_97524665	392.474	USFXSNRQMCLIDF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109725
O=C(N1CCc2c(CC1)sc(n2)C(=O)Nc1ccccc1)Nc1ccccc1	PC-id_97442408	392.474	XHBXDSKXPMNAMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109726
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(NC(=O)c2ccccn2)cc1	PC-id_45896876,CoCoCo_4912255,MCULE-6870984112,ZINC22_40115966,EMOLS-id_44117521	392.474	KXBRPALJCGCWDC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109727
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cnc(nc1)c1ccccc1	PC-id_56083255	392.474	RZLKXMPMRCZNPY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109728
c12C(CCCCn1nnn2)C(=O)NCCCNS(=O)(=O)c1ccc(cc1)C	EMOLS-id_222763567,MCULE-1097888004	392.476	VTQJCNUCLRLZOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109729
c1(C(=O)NCc2cc3n(CCCN(C3)S(=O)(=O)C)n2)c2CCCCc2[nH]n1	ZINC22_91745679,EMOLS-id_46071609,MCULE-7259824137,PC-id_72901867	392.476	LRWSRODDALYGKV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-109730
c1(C(=O)NCCNc2c(cccn2)C)cn2c(CCN(CC2)S(=O)(=O)C)n1	EMOLS-id_331076849,MCULE-7377906429,ZINC22_1875239790	392.476	FHZJRHXNPAVZFI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-109731
Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H]2CCCCn3nnnc23)cc1	ZINC22_670446906	392.476	VTQJCNUCLRLZOU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109732
Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2CCCCn3nnnc23)cc1	ZINC22_670446907	392.476	VTQJCNUCLRLZOU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109733
Cc1nn(C2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cn2CCNCCc2n1	EMOLS-id_330487330,MCULE-7118513800	392.476	XHTLHNILHRTXJE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-109734
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cn2c(n1)CCNCC2	ZINC22_1857726563	392.476	XHTLHNILHRTXJE-CYBMUJFWSA-N	00000010100000000101100000000010000000000000000000000000	31-01-109735
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cn2c(n1)CCNCC2	ZINC22_1857726564	392.476	XHTLHNILHRTXJE-ZDUSSCGKSA-N	00000010100000000101100000000010000000000000000000000000	31-01-109736
CC(C)Cn1c(N)c(C(=O)CSc2nnc3n2CCCCC3)c(=O)[nH]c1=O	CoCoCo_4417187,CoCoCo_4417182,EMOLS-id_24990293,ZINC22_29355341,PC-id_36540154,MCULE-2362178706	392.476	ICKCHIJEFBSBLY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-109737
CCCn1c(N)c(/C(=C/Sc2nnc3n2CCCCC3)/O)c(=O)n(c1=O)C	CoCoCo_3081961,CoCoCo_3081964	392.476	RKDVXHNCFSCGRP-KHPPLWFESA-N	00000000100000100101000000000010000000000000000000000000	31-01-109738
CCCn1c(N)c(/C(=CSc2nnc3n2CCCCC3)/O)c(=O)n(c1=O)C	CoCoCo_3081963,CoCoCo_3081962	392.476	RKDVXHNCFSCGRP-ZHACJKMWSA-N	00000000100000100101000000000010000000000000000000000000	31-01-109739
CCCn1c(N)c(C(=O)CSc2nnc3n2CCCCC3)c(=O)n(C)c1=O	EMOLS-id_11749332,PC-id_9321203,MCULE-4866768509,CHEMBL1316950,CoCoCo_3081960,ZINC22_8186998	392.476	SPOPOIRGCVVMJR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-109740
CC(Cn1c(=O)[nH]c(=O)c(c1N)/C(=CSc1nnc2n1CCCCC2)/O)C	CoCoCo_4417184,CoCoCo_4417185	392.476	IVEJHDZGXZXJSP-PKNBQFBNSA-N	00000000100000100101000000000010000000000000000000000000	31-01-109741
CC(Cn1c(=O)[nH]c(=O)c(c1N)/C(=C/Sc1nnc2n1CCCCC2)/O)C	CoCoCo_4417186,CoCoCo_4417183	392.476	IVEJHDZGXZXJSP-LUAWRHEFSA-N	00000000100000100101000000000010000000000000000000000000	31-01-109742
C[C@H](NC(=O)NCc1nnc2n1CCCCC2)c1ccc(S(=O)(=O)N)cc1	CoCoCo_4790789,ZINC22_12985215,PC-id_25649578	392.476	OQJHGVCSBUYWNS-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109743
C[C@@H](NC(=O)NCc1nnc2n1CCCCC2)c1ccc(S(=O)(=O)N)cc1	PC-id_25649577,CoCoCo_4790790,ZINC22_12985213	392.476	OQJHGVCSBUYWNS-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109744
Cn1ncc2c1CCCN(C2)C(=O)C1c2cnn(c2CCN1S(=O)(=O)C)C	MCULE-6316319668,EMOLS-id_323964904,PC-id_146114396	392.476	MZMWYXYOFSZMBT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-109745
Cn1ncc2c1CCCN(C(=O)[C@@H]1c3cnn(C)c3CCN1S(=O)(=O)C)C2	ZINC22_1875395828	392.476	MZMWYXYOFSZMBT-INIZCTEOSA-N	00000000100010000101000000010010000000000000000000000000	31-01-109746
Cn1ncc2c1CCCN(C(=O)[C@H]1c3cnn(C)c3CCN1S(=O)(=O)C)C2	ZINC22_1875395829	392.476	MZMWYXYOFSZMBT-MRXNPFEDSA-N	00000000100010000101000000010010000000000000000000000000	31-01-109747
NS(=O)(=O)c1ccc(CCNC(=O)NCc2nnc3n2CCCCC3)cc1	ZINC22_32801957,MCULE-6999116103,CoCoCo_4790757,EMOLS-id_44086604,PC-id_40034914	392.476	FRFYMXRSKCAGJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109748
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)COc1nsnc1N1CCOCC1	EMOLS-id_320260782,MCULE-9090239124	392.476	HITXZCRDGGRUAD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-109749
O=C(NC(c1ccc(cc1)S(=O)(=O)N)C)NCc1nnc2n1CCCCC2	PC-id_42954246,MCULE-3179330681,EMOLS-id_44086608	392.476	OQJHGVCSBUYWNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109750
C1CNCC1CNC(=O)c1cc(ncc1)Nc1nc2c(s1)C=C(CC=C2)C#N	SCHEMBL20055843,PC-id_134422671	392.477	GOGSDBDXISNYTH-UHFFFAOYSA-N	00000010100000101111000000000010000000000000000000000000	31-01-109751
OCC1CC(O)CC(O1)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)C)OC	PC-id_144227071	392.487	JWCXZXMPINZSJU-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-109752
O=C(c1c2-c(c(c1)C(=O)c1ccccc1)ccc(C(C)(C)C)cc2)c1ccccc1	PC-id_42604815	392.489	SKXZUDDJQRHBKG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-109753
s1c2c(CCCCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)OCC	PC-id_78480460	392.489	HVJCWEROXIZCJI-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-109754
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_7406066	392.489	HVJCWEROXIZCJI-CHWSQXEVSA-M	00000000100010000100000000000010000000000000000000000000	31-01-109755
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_7406067	392.489	HVJCWEROXIZCJI-QWHCGFSZSA-M	00000000100010000100000000000010000000000000000000000000	31-01-109756
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_7406068	392.489	HVJCWEROXIZCJI-OLZOCXBDSA-M	00000000100010000100000000000010000000000000000000000000	31-01-109757
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_7406069	392.489	HVJCWEROXIZCJI-STQMWFEESA-M	00000000100010000100000000000010000000000000000000000000	31-01-109758
s1c2c(CCCCCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)OC	PC-id_78262881	392.489	FLTXXOCJBMXERF-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-109759
s1c2c(CCCCCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_2163534	392.489	FLTXXOCJBMXERF-OLZOCXBDSA-M	00000000100010000100000000000010000000000000000000000000	31-01-109760
s1c2c(CCCCCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_6592994	392.489	FLTXXOCJBMXERF-STQMWFEESA-M	00000000100010000100000000000010000000000000000000000000	31-01-109761
s1c2c(CCCCCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_7026838	392.489	FLTXXOCJBMXERF-CHWSQXEVSA-M	00000000100010000100000000000010000000000000000000000000	31-01-109762
s1c2c(CCCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_7459088	392.489	FLTXXOCJBMXERF-QWHCGFSZSA-M	00000000100010000100000000000010000000000000000000000000	31-01-109763
Cc1ccc(cc1F)S(=O)(=O)N1CCCn2cnc(CN3CCCC3)c2C1	PC-id_97519420,EMOLS-id_44370218,ZINC22_96259336	392.491	KGONTRNYODVKHK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-109764
CCN(Cc1ccc(OC)c(F)c1)C(=O)CSc1nnc2n1CCCCC2	MCULE-3762938889,PC-id_9452730,ZINC22_8327959,EMOLS-id_48335863	392.491	SGQFWFHXELYIMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109765
c1(NC(=O)c2cccc(c2)S(=O)(=O)C)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_5570856,MCULE-8572218196,ZINC22_5223124,PC-id_7565660,CoCoCo_5142445	392.492	QOYBKFVAJPFYMM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109766
c1(NC(=O)c2ccc(cc2)S(=O)(=O)C)sc2c(CCCCC2)c1C(=O)N	ZINC22_5223266,CoCoCo_5142643,MCULE-3350870781,PC-id_7565788,EMOLS-id_5747051	392.492	MCKQWORXWZNWQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109767
c1(NC(=O)CS(=O)(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)N	CoCoCo_5138379,EMOLS-id_5565578,MCULE-2962129060,ZINC22_4496367,PC-id_7254435	392.492	ZGJNXCSHWHEWCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109768
c1(NC(=S)NC(=O)c2ccco2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_4457299,MCULE-3381932190,STOCK2S-75685,ZINC22_2316564,PC-id_1933154	392.492	MJJMNIIPKQGPMH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-109769
c1(sc2c(CCCCC2)c1C(=O)N)NC(=O)S(=O)(=O)c1ccc(cc1)C	MCULE-9269492126,EMOLS-id_24846419,PC-id_23827579,ZINC22_22239136	392.492	AQTLVHIFFFDKTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109770
O=C(N1CCCc2c(C1)cnn2C)CC1(O)CCCN(C1)C(=O)OC(C)(C)C	EMOLS-id_278918399	392.492	PEUOMLMUGXBTCD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109771
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)C)cc1	PC-id_9301009	392.492	MJSOUWYMTBTZSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109772
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)C)ccc1	PC-id_31845581	392.492	BYMOZDWEPQHHFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109773
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc2CCOc2cc1	PC-id_51177944	392.492	FPIXORYWPIYHAQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-109774
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(cc1)C(=O)C	PC-id_26968566	392.492	CUFJFWWTZKMKGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109775
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1)C(=O)C	PC-id_8500349	392.492	MYHOVSGXTCDEAC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109776
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1sccc1C(=O)N)C	PC-id_24496543	392.492	DPMSTDRSJRTWKK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109777
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1sccc1C(=O)N)C	PC-id_8254808	392.492	DPMSTDRSJRTWKK-JTQLQIEISA-N	00000000100100000100000000000010000000000000000000000000	31-01-109778
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1sccc1C(=O)N)C	PC-id_8254810	392.492	DPMSTDRSJRTWKK-SNVBAGLBSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109779
s1c2c(CCCCC2)c(c1NC(=O)c1c(S(=O)(=O)C)cccc1)C(=O)N	PC-id_7565520	392.492	VEZYCEUIMLCWKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109780
s1c2c(CCCCC2)c(c1NC(=O)c1sccc1)C(=O)NC(=O)OCC	PC-id_7521918	392.492	LKQJSQQZFGGBIF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109781
s1c2c(CCCCC2)c(c1NC(=O)CSc1[n+]([O-])cccc1)C(=O)OC	PC-id_3972256	392.492	MDUMGVBOLBPJLM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-109782
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1sccc1C(=O)N	PC-id_7618310	392.492	ZWNMWSLWBGIHST-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109783
s1c2CCCCCCc2cc1C(=O)OCC(=O)NNC(=O)c1sccc1	PC-id_41226499	392.492	SQALKAGBZXMHNB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109784
c12CN(CCCn1nc(CN(C)CC1Cc3c(cccc3)O1)c2)Cc1ccoc1	PC-id_56909847,MCULE-1477337264,EMOLS-id_43159170	392.494	UKVCYVVLDIWPHA-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-109785
c1(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)oc2c(cccc2)c1C	ZINC22_91657336,PC-id_72890225,MCULE-4868638209,EMOLS-id_46063089	392.494	QLNARLWMRYKNDY-UHFFFAOYSA-N	00001000100000100101000001000010000000000000000000000000	31-01-109786
Cc1nn(c(c1CN(C(=O)c1noc2c1CCCCC2)C)C)c1ccccc1C	EMOLS-id_100094451	392.494	MBVRCEJAOZOVIP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109787
CCCCC(=O)c1nc2c(n1Cc1cccc(c1)C)C(=C=C)N(C(=O)CN2C)C	PC-id_144790891	392.494	SVVYRAMRYHENKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109788
C=CC(=O)N1CCC(C(=O)N2CCCc3c(cnn3C)C2)(c2ccccc2)CC1	PC-id_145898486,ZINC22_848222364,MCULE-8429943576	392.494	OJWZONVOFKTRSV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-109789
CCOc1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1O	PC-id_28956633,EMOLS-id_20480395,MCULE-9839481553,CoCoCo_1243323,ZINC22_20453868,CoCoCo_1243324	392.494	QAPXBJAGYQKTRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109790
CCOc1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)ccc1O	PC-id_28133830,CoCoCo_1421288,CoCoCo_1421289,ZINC22_19300607,EMOLS-id_20602073,MCULE-5040363727	392.494	SSEWOKYLQLVQBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109791
CCOC(=O)C1=CCc2c(C=C1)nc([nH]2)NC1CCN(CC1)Cc1ccccc1	PC-id_70337444,SCHEMBL8294923	392.494	KXNICXYTNVMZME-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-109792
CN(Cc1cc2n(n1)CCCN(Cc1ccoc1)C2)C[C@H]1Cc2ccccc2O1	PC-id_100909215,ZINC22_230236382	392.494	UKVCYVVLDIWPHA-JOCHJYFZSA-N	00000010101000100101000000001010000000000000000000000000	31-01-109793
CN(Cc1cc2n(n1)CCCN(Cc1ccoc1)C2)C[C@@H]1Cc2ccccc2O1	PC-id_95724666,ZINC22_72163117	392.494	UKVCYVVLDIWPHA-QFIPXVFZSA-N	00000010101000100101000000001010000000000000000000000000	31-01-109794
CN(CCN1CCCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cccc2)C	PC-id_145511822	392.494	QQOPJBCOVMNDMH-VKAVYKQESA-N	00000010100000100100000000001010000000000000000000000000	31-01-109795
COc1cc(c2ccccc2)c(cc1OC)CNCc1nnc2n1CCCCC2	EMOLS-id_51658654,PC-id_119110935,MCULE-7816862859	392.494	DFTDKHUDSONWHK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109796
COc1ccc(cc1OCc1ccccc1)CNCc1nnc2n1CCCCC2	EMOLS-id_50939266,MCULE-2778096235,PC-id_121844139	392.494	QXZJRGHVFSHWQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109797
COc1cc(CC(C)N2CCc3nnc(Cc4ccccc4)n3CC2)ccc1O	EMOLS-id_20690681,PC-id_45238252,MCULE-8257467231	392.494	HXJAXOABPLEJCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109798
COc1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1OC	EMOLS-id_20604363,MCULE-5988988867,PC-id_28139230,ChEMBL-DNDi_CHEMBL51802474,ZINC22_19335364	392.494	SMBXJMKCWBMSGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109799
COc1cc(C[C@@H](C)N2CCc3nnc(Cc4ccccc4)n3CC2)ccc1O	CoCoCo_1556240,ZINC22_12080172,CoCoCo_1556242	392.494	HXJAXOABPLEJCM-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109800
COc1cc(C[C@H](C)N2CCc3nnc(Cc4ccccc4)n3CC2)ccc1O	CoCoCo_1556241,CoCoCo_1556239,ZINC22_12080173	392.494	HXJAXOABPLEJCM-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109801
COc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1OC	ChEMBL-DNDi_CHEMBL68415286,CoCoCo_1511389,EMOLS-id_20661421,CoCoCo_1511390,ZINC22_19953056,MCULE-5563268894,PC-id_28477803	392.494	WCKBWTWMGHWIDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109802
COc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c(OC)c1	CoCoCo_1191394,EMOLS-id_20443521,PC-id_28394914,MCULE-1700349833,ChEMBL-DNDi_CHEMBL17969272,CoCoCo_1191393,ZINC22_19840767	392.494	AONKNHFKVKEFAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109803
COc1cccc(OC)c1CN1CCc2nnc(CCc3ccccc3)n2CC1	PC-id_28101352,CoCoCo_1415525,ChEMBL-DNDi_CHEMBL50202763,CoCoCo_1415526,EMOLS-id_20598221,ZINC22_19228857,MCULE-2355425762	392.494	YAYQOBOVHVCNDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109804
COc1ccc(OC)c(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1	EMOLS-id_20559575,MCULE-7108739879,PC-id_29258650,ChEMBL-DNDi_CHEMBL40589307,ZINC22_20999363	392.494	NJKWPSMSYLIFMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109805
n12CCN(CCc1nnc2CCc1ccccc1)Cc1ccc(cc1)OCCO	EMOLS-id_232742818,PC-id_26341637,CoCoCo_1367431,ZINC22_14987117,MCULE-6589182663,CoCoCo_1367430	392.494	WCBWGUYNAAOVNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109806
O=CCCc1ccc(cc1C)C(=O)N1C/C(=CC=C/CC)/Nc2c(C1)cnn2C	PC-id_143188903	392.494	GDTXKTLUBINDBG-ZAVWNFMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109807
O=C(NCCC1=CCCCC1)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_30600614,PC-id_46347967,MCULE-1816309908	392.494	AADGXFBBAQXNOM-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-109808
c12CN(CCCn1nc(CNC(=O)C(C)(C)N1CCOCC1)c2)C(=O)N(C)C	PC-id_72863547,EMOLS-id_46043745,MCULE-9593678987,ZINC22_91475353	392.496	ATEGSFFBSICCGM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109809
Cc1cnc(s1)NC(=O)C1CSCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_100971238	392.496	WSMPZYIVKYOGAH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109810
Cn1c(=O)n(c2c1ccc(c2)S(=O)(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_110211559	392.496	FBVOUADQOIYYCF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109811
Cn1c(=O)sc2c1ccc(c2)S(=O)(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_318367099	392.496	HIIDDZPHTXPGJU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-109812
O=C(N1CCN(CC1)CC(=O)NC(CC)C)Cn1nc2n(CCCCC2)c1=O	PC-id_55581350	392.496	SMZGSYXQIVBUJQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109813
O=C(N1CCN(CC1)CC(=O)N(CC)CC)Cn1nc2n(CCCCC2)c1=O	PC-id_55582591	392.496	HVMXRTUXMNLQLB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109814
O=C(NC1CCN(CC1)CC(=O)NCCC)Cn1nc2n(CCCCC2)c1=O	PC-id_55658061	392.496	DCABRWZJMJQARD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109815
O(C(=O)N1CCN(CC1)C(=O)NCCc1n2CCCCCc2nn1)C(C)(C)C	PC-id_52575288	392.496	HBKNYECCBCFIAG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109816
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1nc(sc1)NC(=O)C	PC-id_39045108	392.496	OQFMJZCLYNISER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109817
c12CN(CCCn1nc(CN(C)CCn1ccnc1C)c2)C(=O)c1ccccc1	PC-id_56898490,ZINC22_72430529,EMOLS-id_43124441,MCULE-3604767645	392.497	JNRGCTAOLASOTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109818
c1(c(C)n(nc1C)CC)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	PC-id_56715819,MCULE-3083330427,ZINC22_67790540,EMOLS-id_36451921	392.497	FPLPQKZILXTYEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109819
c1(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)n(C)c2c(cccc2)n1	EMOLS-id_46081885,MCULE-4737847179,PC-id_72915983,ZINC22_91872991	392.497	RQQNJAHRIQEBSW-UHFFFAOYSA-N	00001000100000100101000001000010000000000000000000000000	31-01-109820
c1(C(=O)NC2CCN(CC2)Cc2[nH]c3c(cccc3)n2)c2CCCCCc2[nH]n1	MCULE-5650422762,EMOLS-id_323253937	392.497	YUOSOZARNCIMTL-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-109821
Cc1cccc(n2ncc(NC(=O)N3CCCc4c(cnn4C)C3)c2C(C)C)c1	ZINC22_886084667,MCULE-4493559433,EMOLS-id_316207662	392.497	XDNKCIOHTVILRC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109822
Cc1cc(C)n(c2ccc(CCC(=O)NCc3nnc4n3CCCCC4)cc2)n1	MCULE-4398269624,PC-id_92613256,SYN-22973727,ZINC22_19659494,EMOLS-id_31432099	392.497	UJFOALKLMQCHOP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109823
Cc1cc(n(n1)Cc1cccc(c1)C(=O)N1CCn2c(CC1)nnc2C(C)C)C	PC-id_42162141,CoCoCo_1218265	392.497	IYSZLZLDUAPGHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109824
Cc1nn(C)c(C)c1CCC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	MCULE-8628138681,EMOLS-id_337817649,ZINC22_2356149885	392.497	DKGXXGMCMPNYFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109825
Cc1nn(C)c(C)c1CCC(=O)N1CCc2nnc(Cc3ccccc3)n2CC1	PC-id_70762852,ZINC22_82134903,EMOLS-id_44443815,MCULE-1718524420	392.497	NDGKSQTZMYBTLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109826
CCc1c(C)nn(CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)c1C	ZINC22_2100540732,MCULE-5428560997,EMOLS-id_337656028	392.497	NRDZAYAEXYKAFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109827
CN(C(=O)C1CCn2c(CC1)nnc2)Cc1c(C)nn(c1C)c1ccccc1C	EMOLS-id_320015213,MCULE-5710030997	392.497	RQCPNORCRFWXSH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109828
O=C(Cn1ccnc1C(C)C)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_319603473	392.497	PDJBWRYGJKUJDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109829
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cc1c2c([nH]c1)cccc2	PC-id_51317224	392.497	MTQRVYADPPGAPI-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-109830
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CCc1ccc(cc1)C#N	PC-id_46449510	392.497	FHFKHNXWKZZIKR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-109831
O=C(NCc1n2CCCCCc2nn1)c1c(n(nc1C)Cc1ccc(cc1)C)C	PC-id_24676680	392.497	PXXBKEOHRFOCMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109832
O=C(NCCc1n2CCCCCc2nn1)c1cc(Cn2nc(cc2C)C)ccc1	PC-id_56268197	392.497	XPPHUGDJPRTPNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109833
O=C(NCCc1n2CCCCCc2nn1)c1c(n(nc1)c1ccc(cc1)C)CC	PC-id_55576051	392.497	QLEIBOPDSSRWFF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109834
O=C(NCCc1n2CCCCCc2nn1)c1c(n(nc1)Cc1ccccc1)CC	PC-id_78873137	392.497	YCVPJCABGJABDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109835
Cc1cc2CN(Cc3cc4CN(Cc5cccnc5N)CCCn4n3)CCn2n1	EMOLS-id_43144538,ZINC22_72454257,PC-id_56904926,MCULE-9685699116	392.501	JGHWBHKKKSCJOM-UHFFFAOYSA-N	00000000100010101101000000010010000000000000000000000000	31-01-109836
CN=C(N(Cc1ncc([nH]1)c1ccccc1)C)NCc1nnc2n1CCCCC2	PC-id_109841918	392.501	HYGXLRHYGOPIHJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109837
CN=C(NCc1nnc2n1CCCCC2)NCc1ccccc1Cn1cccn1	PC-id_111850844	392.501	YNJUJFUXWMLWOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109838
O(CCCCc1c2-c(c([14cH]1)C(=O)OC)ccc(C(C)C)cc2)Cc1ccccc1	PC-id_11741252	392.507	MCAFUPWOVMOARD-GZXVCZRGSA-N	00000010100000110110000000000010000000000000000000000000	31-01-109839
c1(NC(=O)CCSc2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_5566454,MCULE-9407389674,ZINC22_4496846,PC-id_7254905,CoCoCo_5139012	392.511	IWXCKQKVXICLTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109840
o1c(c2c(c1C)C(=C/C(=C/C=C
/C=CC(=[N+](C)C)C=C1)/C=C2OCC)OCC)C	PC-id_11027396	392.511	CSFRMDWCWLYPDP-UHFFFAOYSA-N	00000000100011000110000000000010000000000000000000000000	31-01-109841
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1F)C)C(=O)OC	PC-id_19687260	392.511	DLPARNURPMWHAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109842
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(ccc(F)c1)C)C(=O)OC	PC-id_19687338	392.511	DHZRXWQONHQTKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109843
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc(F)cc1)C)C(=O)OC	PC-id_17300238	392.511	ZAZXYWUQVQZEDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109844
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(F)cc1)C(=O)OCC	PC-id_17268237	392.511	QADDJVXCFILULT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109845
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(F)c(cc1)C)C(=O)OC	PC-id_20413100	392.511	QYYKVIKGUYOVIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109846
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(F)ccc1)C(=O)OCC	PC-id_20408963	392.511	GURMMBVHRJJQEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109847
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(F)cccc1)C(=O)OCC	PC-id_20409097	392.511	WPGWYSQGXJWQSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109848
s1c2c(CCCCC2)c(c1NC(=S)NCc1ccc(F)cc1)C(=O)OC	PC-id_19649345	392.511	JPLYVTSENGOIFF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109849
s1c2c(CCCCC2)c(c1NC(=S)NCc1c(F)cccc1)C(=O)OC	PC-id_17267294	392.511	BXOZSAWRLLYFJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109850
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(F)cc1)C(=O)OC	PC-id_20408753	392.511	NYUBDLDZDHZOSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109851
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(F)ccc1)C(=O)OC	PC-id_20408958	392.511	ILHRLAXNJPVXFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109852
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(F)cccc1)C(=O)OC	PC-id_20409092	392.511	CNRPBSKPUCFRDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109853
c1(c2CCCCCc2sc1NC(=O)CCC(=O)O)C(=O)NC1CCCCC1	PC-id_17377014,MCULE-1106895887,TIMTEC422476,CoCoCo_6831782,ZINC22_17080206,EMOLS-id_4070736	392.512	REYATZRGLCEMOI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109854
CCCC1C=CC=c2c(=C1)ccn2Cc1ccc(cc1F)C(=N)N1CCNCC1	SCHEMBL18977451	392.512	XOLCLCRIXWAIEF-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-109855
CCCC1C=CC=c2c(=C1)ccn2Cc1ccc(cc1F)C(=N)NC1CNCC1	SCHEMBL18977703	392.512	IUTCNCKBYCCHIH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-109856
O=C(c1sc2c(c1)CCCCCC2)N(CC(=O)N1CCCC(C1)C(=O)O)C	PC-id_120234427	392.512	OWBRNTUUOREOPN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109857
O=C(N1CCC(CC1)C(=O)O)CN(C(=O)c1sc2c(c1)CCCCCC2)C	PC-id_119235659	392.512	MEMKLCKNXOKFJA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109858
OC(=O)CN(C1CCCN(CC1)C(=O)c1cc2c(s1)CCCCC2)C(=O)C	PC-id_120440687	392.512	YBNYWLXCTUVSFO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-109859
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NC1C(CCCC1)C	PC-id_16509496	392.512	QLDASGXJXAQDSK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109860
s1c2CCCCCc2cc1C(=O)OC(C(=O)NC(=O)NC1CCCCC1)C	PC-id_78474828	392.512	YVBZPWXNCSBCMQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109861
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)NC(=O)NC1CCCCC1)C	PC-id_7352032	392.512	YVBZPWXNCSBCMQ-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109862
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)NC(=O)NC1CCCCC1)C	PC-id_7352033	392.512	YVBZPWXNCSBCMQ-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109863
s1c2c(CCCCC2)c(c1NC(=O)CN1CCCCCCC1=O)C(=O)OC	PC-id_55762793	392.512	FZDJMZIQGOQEPM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-109864
s1c2CCCCCCc2cc1C(=O)OC(C(=O)N1CCN(CC1)C(=O)C)C	PC-id_55524613	392.512	JIHYMRVIXKZNPU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109865
c1(NC(=O)Cc2ccc(cc2)OCc2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_334604912,MCULE-6664981312	392.514	VPJBOXMAAJYGEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109866
Cc1c2-c(c(cc2C=C2C(=O)NC(=S)N(C2=O)CC=C)C)cc(cc1)C(C)C	PC-id_91278036	392.514	JIXGXFSEXQBQNO-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-109867
Cc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)o1	ZINC22_408970621	392.514	JKIZEMHFSXEKBN-BUVRLJJBSA-N	00000000101000110100000000000010000000000000000000000000	31-01-109868
C=CCN1C(=S)NC(=O)/C(=C/c2cc(c3-c2c(C)ccc(c3)C(C)C)C)/C1=O	PC-id_140488884	392.514	JIXGXFSEXQBQNO-UNOMPAQXSA-N	00000010100010000111000000000010000000000000000000000000	31-01-109869
COC(=O)c1cc2n(c1Sc1ccccc1)CN(CCC2)Cc1ccccc1	PC-id_102421145	392.514	NQTMTFGOCMDROX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109870
s1c2CCCCCCc2cc1C(=O)NCc1c(NS(=O)(=O)C)cccc1	PC-id_52607280	392.535	HPJJTZCNLOJSMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109970
O=C(CSc1nnc2n1CCCCC2)N1CCS[C@@H]1c1ccccc1F	CoCoCo_4311481,ZINC22_9512817,PC-id_41103157	392.514	ASONNLQIYTXPTN-QGZVFWFLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-109871
O=C(CSc1nnc2n1CCCCC2)N1CCS[C@H]1c1ccccc1F	ZINC22_9512820,CoCoCo_4311482,PC-id_41103158	392.514	ASONNLQIYTXPTN-KRWDZBQOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-109872
O=C(N1CCSC1c1ccccc1F)CSc1nnc2n1CCCCC2	EMOLS-id_11847635,PC-id_16382548,MCULE-7412456683	392.514	ASONNLQIYTXPTN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-109873
s1c2CCCCCc2cc1C(=O)NCc1ccc(OCc2cccnc2)cc1	PC-id_52606130	392.514	TXRVAOHPKGQZEZ-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-109874
c1(NC(=O)CCC(=O)N2CCNC(=O)C2(C)C)sc2c(CCCCCC2)n1	SYN-20045383,EMOLS-id_30439077,PC-id_46971521,CoCoCo_496638,MCULE-4414756104,ZINC22_19460354	392.516	BSXWVZZDFHSXJT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109875
c1(NC(=O)CCC(=O)NCCCN2CCCC2=O)sc2c(CCCCC2)n1	MCULE-2330333046,EMOLS-id_334992814	392.516	WIECOYVNSAXRPJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109876
CC(C)(C)c1cccc(CN(Cc2nnc3n2CCOCC3)S(=O)(=O)C)c1	EMOLS-id_316760756,MCULE-3395579003,ZINC22_1775961717	392.516	UVCKYSDQUHTWPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109877
CC(C)Cn1nc2CCN(CCn2c1=O)S(=O)(=O)c1c(C)cc(C)cc1C	MCULE-2356134490,EMOLS-id_55716830	392.516	ARAIHQLQOFROFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109878
COc1ccc(cc1)S(=O)(=O)N1CCCn2cnc(CN(C)C(C)C)c2C1	EMOLS-id_44370088,ZINC22_96259271,PC-id_97519355	392.516	SJLUYOHHJRERMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109879
COc1cccc(c1)S(=O)(=O)N1CCCn2cnc(CN(C)C(C)C)c2C1	EMOLS-id_44370090,PC-id_97519356,ZINC22_96259272	392.516	BKMQLIRUHJFHFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109880
O=C(C(=O)N1CCN(CC1)C(=O)C(C)(C)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_111810331	392.516	VGKRSZLJOODONG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109881
O=C(N1CCN(CC1)C(=O)C1CCCO1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101106747	392.516	PQXWITWDSKAJAF-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-109882
OC(=O)CN(C1CC(C1)NC(=O)Nc1nc2c(s1)CCCCC2)CC1CC1	PC-id_122074611	392.516	BKZKACBJIRYYPF-UHFFFAOYSA-N	00101000100000000101000000000010000000000000000000000000	31-01-109883
s1c2c(CCCCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)C	PC-id_84930618	392.516	VWYKKIKIAQPZKP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109884
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)N(C)C	PC-id_52600608	392.516	PZRBIIWXFPAVRU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-109885
s1c2CCCCCc2c(c1NC(=O)CN(CC(=O)NCCCOC)C)C#N	PC-id_51261050	392.516	QHQCNAYIYXFPSR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-109886
C1CCc2nnc(n2CC1)/C(=C(/C[NH+]1CCC(CC1)Cc1ccccc1)O)/C#N	PC-id_135705143	392.517	SIWLKBYBXWJVGH-MRCUWXFGSA-O	00000000100010110101000000000010000000000000000000000000	31-01-109887
Cc1ccc(cc1)NC(=O)C(c1ccccc1)Sc1nnc2n1CCCCC2	EMOLS-id_11769717,PC-id_16331866,MCULE-2991503739	392.517	OOOUIHIUGIQWFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109888
Cc1ccc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1	CoCoCo_3081441,PC-id_7876711,ZINC22_6097158	392.517	OOOUIHIUGIQWFP-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109889
Cc1ccc(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1	PC-id_7876713,CoCoCo_3081442,ZINC22_6097161	392.517	OOOUIHIUGIQWFP-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109890
CC(c1cccc(c1)NC(=O)c1ccccc1)Sc1nnc2n1CCCCC2	PC-id_47057509,MCULE-3729806692,EMOLS-id_44134753	392.517	TXUWZPZGEQSSQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109891
CC(C(=O)Nc1ccccc1c1ccccc1)Sc1nnc2n1CCCCC2	MCULE-2990842869,EMOLS-id_11749328,PC-id_16318096	392.517	OLONTQBUIBWJFD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109892
C[C@@H](Sc1nnc2n1CCCCC2)c1cccc(NC(=O)c2ccccc2)c1	PC-id_52490906,ZINC22_58014271	392.517	TXUWZPZGEQSSQE-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109893
C[C@H](Sc1nnc2n1CCCCC2)c1cccc(NC(=O)c2ccccc2)c1	ZINC22_58014270,PC-id_52490905	392.517	TXUWZPZGEQSSQE-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109894
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccccc1c1ccccc1	CoCoCo_3081799,ZINC22_6097676,PC-id_7877046	392.517	OLONTQBUIBWJFD-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109895
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccccc1c1ccccc1	PC-id_7877044,CoCoCo_3081798,ZINC22_6097672	392.517	OLONTQBUIBWJFD-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109896
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1)OCc1ccccn1	PC-id_19985814,SCHEMBL7291658	392.517	OVRIFZAUQHOXJH-GQCTYLIASA-N	00000000100000111101000000000010000000000000000000000000	31-01-109897
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1OCc1ccccn1	PC-id_19985833,SCHEMBL7283461	392.517	IVNRECYWTBRTMH-FNORWQNLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109898
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc(cc1)OCc1ccccn1	SCHEMBL7285590,PC-id_19985794	392.517	BBHWUIYVAHOLCU-ONEGZZNKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109899
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1)OCc1cccnc1	PC-id_19985735,SCHEMBL7292328	392.517	SBZQSQSCLYCRFG-ZZXKWVIFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109900
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1OCc1cccnc1	SCHEMBL7285047,PC-id_19985797	392.517	FZIZPQWQTIDKQM-QPJJXVBHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109901
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc(cc1)OCc1cccnc1	SCHEMBL7291998,PC-id_19985829	392.517	VIFWCUZWCFUHPD-DUXPYHPUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109902
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc(cc1)OCc1ccncc1	SCHEMBL7285282,PC-id_19985903	392.517	DHGRRWFJFRJLIU-OWOJBTEDSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109903
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1)OCc1ccncc1	SCHEMBL7293812,PC-id_19985961	392.517	NMSKNAGUFOKXCE-DUXPYHPUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109904
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccc1OCc1ccncc1	SCHEMBL9872466	392.517	NSTCIKCATKRYGK-HWKANZROSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109905
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(n1)OCc1ccccc1	SCHEMBL7285765,PC-id_19985960	392.517	XVABWBJUWJNQRC-WEVVVXLNSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109906
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ncccc1OCc1ccccc1	PC-id_19985895,SCHEMBL7285251	392.517	OLZSYCUCDCWSHJ-VMPITWQZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109907
N#Cc1c(NC(=O)CN2CCC=C(C2)c2cccnc2)sc2c1CCCCC2	EMOLS-id_99433261	392.517	FBVRZTCJSKFWAO-UHFFFAOYSA-N	00000000100011101100100000000010000000000000000000000000	31-01-109908
O=C(c1sc2c(c1)CCC2)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_99806432	392.517	NOBBUXVGNSCNCT-UHFFFAOYSA-N	00000010100000110101000010000010000000000000000000000000	31-01-109909
O=C(C[NH+]1CCC(CC1)Cc1ccccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_85008092	392.517	BPNSCXOFPMOVDS-UHFFFAOYSA-O	00000011000010110111000000000010000000000000000000000000	31-01-109910
O=C(C[NH+]1CCC(CC1)Cc1ccccc1)/C(=C
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O=C(CSc1nnc2n1CCCCC2)NC(c1ccccc1)c1ccccc1	CoCoCo_3082146,EMOLS-id_3661095,PC-id_7877459,MCULE-2215059134,ZINC22_6098242	392.517	FBTSQVUPQPICIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109912
s1c2CCN(CCc2nc1N)CC=Cc1ccc(OCc2cccnc2)cc1	PC-id_54393389	392.517	VIFWCUZWCFUHPD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109913
s1c2CCN(CCc2nc1N)CC=Cc1ccc(OCc2ccncc2)cc1	PC-id_53760139	392.517	DHGRRWFJFRJLIU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109914
s1c2CCN(CCc2nc1N)CC=Cc1ccc(OCc2ncccc2)cc1	PC-id_53673175	392.517	BBHWUIYVAHOLCU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109915
s1c2CCN(CCc2nc1N)CC=Cc1cc(OCc2cccnc2)ccc1	PC-id_54297795	392.517	SBZQSQSCLYCRFG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109916
s1c2CCN(CCc2nc1N)CC=Cc1cc(OCc2ccncc2)ccc1	PC-id_54119610	392.517	NMSKNAGUFOKXCE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109917
s1c2CCN(CCc2nc1N)CC=Cc1cc(OCc2ncccc2)ccc1	PC-id_54172018	392.517	OVRIFZAUQHOXJH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109918
s1c2CCN(CCc2nc1N)CC=Cc1c(OCc2cccnc2)cccc1	PC-id_53826367	392.517	FZIZPQWQTIDKQM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109919
s1c2CCN(CCc2nc1N)CC=Cc1c(OCc2ccncc2)cccc1	PC-id_54128660	392.517	NSTCIKCATKRYGK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109920
s1c2CCN(CCc2nc1N)CC=Cc1c(OCc2ncccc2)cccc1	PC-id_53937650	392.517	IVNRECYWTBRTMH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109921
s1c2CCN(CCc2nc1N)CC=Cc1ncccc1OCc1ccccc1	PC-id_54157338	392.517	OLZSYCUCDCWSHJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109922
s1c2CCN(CCc2nc1N)CC=Cc1nc(OCc2ccccc2)ccc1	PC-id_54489968	392.517	XVABWBJUWJNQRC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-109923
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(Cc2ccccc2)cccc1	PC-id_7876761	392.517	DDOFZURHCYAPCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109924
Cc1nn(c(c1S(=O)(=O)N1CCCCC1)C)Cc1nnc2n1CCCCC2	EMOLS-id_111778176	392.519	CVQFHNVWAGJOEB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109925
CC(C(c1nnc2n1CCN(CC2)Cc1cccc(n1)C)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL23547237,PC-id_45188273	392.519	VAALGLAMHCQMEC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-109926
CC([C@H](c1nnc2n1CCN(CC2)Cc1cccc(n1)C)NS(=O)(=O)C)C	CoCoCo_1238626,CoCoCo_1238625	392.519	VAALGLAMHCQMEC-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-109927
CC([C@@H](c1nnc2n1CCN(CC2)Cc1cccc(n1)C)NS(=O)(=O)C)C	CoCoCo_1238628,CoCoCo_1238627	392.519	VAALGLAMHCQMEC-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-109928
CCN(S(=O)(=O)c1c(C)nn(c1C)Cc1nnc2n1CCCCC2)C1CC1	EMOLS-id_100809896	392.519	NJEYSZPUNKNSGP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-109929
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1c(nnc1[S-])CCC	PC-id_51644609	392.519	IJWBPBXBRYPDER-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-109930
CSc1ccc2-c(cc1=C(C#N)C#N)c(c(c2=C(C#N)C#N)SC)SC	PC-id_102373443	392.52	KUFCLNBWVFTYKH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-109931
CSc1cc(=C(C#N)C#N)cc2-c(c1)c(=C(C#N)C#N)c(c2SC)SC	PC-id_102373444	392.52	IHYNENLTIUZMPU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-109932
CSc1cc(=C(C#N)C#N)cc2-c(c1)c(SC)c(c2=C(C#N)C#N)SC	PC-id_102373445	392.52	KXPAPWFXCBTURI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-109933
[NH+]1(CCN(CC1)Cc1n2CCCCCc2nn1)Cc1ccc(n2nccc2)cc1	PC-id_40060432	392.521	AYEZTZVRDHQTDH-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-109934
o1/c(=C/c2[nH]c3CCCCCCC(c2c3)CCCC)/c(OC)c/c/1=C
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o1/c(=C/c2[nH]c3CCCCCCCCC(c2c3)CC)/c(OC)c/c/1=C
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O(C1=CC(=NC1=Cc1[nH]c2c(C(CCCCCC2)CCCC)c1)c1occc1)C	PC-id_16116394	392.534	YNRSOCLAEPOXPL-UHFFFAOYSA-N	00000011101000000100100000000010000000000000000000000000	31-01-109937
c1(NC(=S)NCc2ccco2)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC474156,CoCoCo_1000280,EMOLS-id_2003961,PC-id_2210696,MCULE-5841839184,ZINC22_2857438,ChEMBL-DNDi_CHEMBL7824869	392.535	UEOLLEOYVUBDSF-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-109938
Cc1cc(c2-c(c(cc2)C=NN=Cc2c3-c(c(cc(cc3C)C)C)cc2)c(c1)C)C	PC-id_92015365	392.535	VOTXYKZOOQJIAT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-109939
Cc1ccc(c(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCCCCC2)C	EMOLS-id_43897467,MCULE-1904901409,PC-id_8482905,CoCoCo_3535387	392.535	GQEROXQDLQUQIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109940
Cc1cc(C)c(c(c1)C)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3538113,PC-id_17495301,EMOLS-id_16664910,MCULE-6890314687	392.535	IANOORHSFVRSJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109941
Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1S(=O)(=O)N(C)C	PC-id_24391842,ZINC22_12681055,MCULE-8356660916,EMOLS-id_30663900	392.535	YFIINILHBWOXKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109942
CCCc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3538128,MCULE-7729752050,EMOLS-id_16673155,PC-id_8500358	392.535	BPUACOMEXNDGFD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109943
CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1	EMOLS-id_43823371,MCULE-5020732653,ZINC22_7646164,PC-id_8752948	392.535	VLJPDWMXLVFFPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109944
CC(CS(=O)(=O)c1ccc(cc1)C)NC(=O)N1CCCc2c(C1)ccs2	EMOLS-id_318080238	392.535	HMLAQEZUPKUKHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109945
C[C@H](c1ccc(S(=O)(=O)N)cc1)N(C)C(=O)c1cc2c(s1)CCCCC2	ZINC22_27394500	392.535	DFESHWDWIDQCKR-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109946
C[C@@H](c1ccc(S(=O)(=O)N)cc1)N(C)C(=O)c1cc2c(s1)CCCCC2	ZINC22_27394504	392.535	DFESHWDWIDQCKR-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109947
CN(c1ccc(cc1)C(=Cc1ccc2-c1ccccc2)c1ccc(cc1)N(C)C)C	PC-id_101439616	392.535	PBOZIQDRIPJQOE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-109948
CN(c1ccc(cc1)/C=C(/c1ccc2-c1ccccc2)c1ccc(cc1)N(C)C)C	PC-id_101951151	392.535	HHUQDDLSCMNTSN-VFCFBJKWSA-N	00000010100000110110000000000010000000000000000000000000	31-01-109949
CN(C(=O)c1cc2c(s1)CCCCC2)C(c1ccc(cc1)S(=O)(=O)N)C	EMOLS-id_43424309,MCULE-3764640916,PC-id_51253966	392.535	DFESHWDWIDQCKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109950
CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc2c(s1)CCCCC2	MCULE-6355913312,PC-id_17437226,ZINC22_8726807,EMOLS-id_12017515,CoCoCo_4535593	392.535	ODPDINZLMHUKRC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109951
CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc3c(s2)CCCCCC3)c1	PC-id_8961546,CoCoCo_3348906,MCULE-1711742297,EMOLS-id_43851110,ZINC22_7843119	392.535	VHXLBJSQSUVCIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109952
NS(=O)(=O)c1ccc(CCNC(=O)c2cc3CCCCCCc3s2)cc1	MCULE-3135555139,TIMTEC86467,ZINC22_1053811,CoCoCo_541006,EMOLS-id_2496515,PC-id_1245401	392.535	BTYQFTZGMGWERM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109953
NS(=O)(=O)Cc1ccc(CNC(=O)c2cc3c(s2)CCCCCC3)cc1	EMOLS-id_49327632,PC-id_41621507,MCULE-8841408132,ZINC22_10706011	392.535	VLJUCQGOOHFMGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109954
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1ccc(cc1)C(C)C	PC-id_25689096,MCULE-9320578695,EMOLS-id_24165739,CoCoCo_3538124	392.535	DRYWNTPWLJZSAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109955
s1c2CCCCCc2cc1C(=O)Nc1c(ccc(S(=O)(=O)N(C)C)c1)C	PC-id_24391775	392.535	IJIQZJVXQXLGBE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109956
s1c2CCCCCc2cc1C(=O)NCc1ccc(CS(=O)(=O)NC)cc1	PC-id_38123171	392.535	APZJJUUXPKCOBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109957
s1c2c(CCCCC2)c(c1NC(=O)Cc1nc(sc1)C(C)C)C(=O)OC	PC-id_55763099	392.535	FQGMJHSEJFGXJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109958
s1c2c(CCCCC2)c(c1NC(=O)CN(Cc1ccsc1)C)C(=O)OC	PC-id_9054597	392.535	NMOJPQXCFPCPNB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109959
s1c2c(CCCCC2)c(c1NC(=O)CN(Cc1sccc1)C)C(=O)OC	PC-id_8966073	392.535	UVYZZUQXYIJMLX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-109960
s1c2CCCCCCc2cc1C(=O)Nc1c(c(cc(S(=O)(=O)N)c1)C)C	PC-id_9257384	392.535	SZESWJHFYWPBGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109961
s1c2CCCCCCc2cc1C(=O)Nc1ccc(NS(=O)(=O)CC)cc1	PC-id_52717594	392.535	IABZTJIETZMITO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109962
s1c2CCCCCCc2cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1	PC-id_9328672	392.535	IKMCNLALUOUHCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109963
s1c2CCCCCCc2cc1C(=O)Nc1cc(NS(=O)(=O)C)c(cc1)C	PC-id_48430241	392.535	CMEMNGZBQMULIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109964
s1c2CCCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)NC)c(cc1)C	PC-id_9479369	392.535	JUHPZNPKXNLJAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109965
s1c2CCCCCCc2cc1C(=O)Nc1c(S(=O)(=O)N(C)C)cccc1	PC-id_52730025	392.535	IDPOQZAULIHZKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109966
s1c2CCCCCCc2cc1C(=O)NC(c1ccc(S(=O)(=O)N)cc1)C	PC-id_60383642	392.535	VDFDEJXSYNMVPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109967
s1c2CCCCCCc2cc1C(=O)NCc1ccc(S(=O)(=O)NC)cc1	PC-id_46454051	392.535	CLJUKOSNMLZCOU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109968
s1c2CCCCCCc2cc1C(=O)NC(c1cc(S(=O)(=O)N)ccc1)C	PC-id_51213533	392.535	FRSDRTZSILMUTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109969
s1c2CCCCCCc2cc1C(=O)N[C@H](c1cc(S(=O)(=O)N)ccc1)C	PC-id_52481150	392.535	FRSDRTZSILMUTA-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109971
s1c2CCCCCCc2cc1C(=O)N[C@@H](c1cc(S(=O)(=O)N)ccc1)C	PC-id_52481151	392.535	FRSDRTZSILMUTA-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109972
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(c(cc1)C)C	PC-id_8482906	392.535	ANOPNYDTUYYCTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109973
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(cc(cc1)C)C	PC-id_8482912	392.535	PGCKWZXNKQRHSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109974
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(CC)cc1	PC-id_9238211	392.535	MPXPXRZCXQYCNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-109975
s1c2CCCCCCc2cc1C(=O)OCc1nc(sc1)N(CC)C(=O)C	PC-id_31621964	392.535	KXJFVDRDBFXZFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109976
s1c2CCCCCCc2nc1NC(=O)CCS(=O)(=O)c1ccc(cc1)C	PC-id_56035858	392.535	VSXBHEDBTBJORX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109977
s1c(C(=O)N2CC[NH+](CC2)CC(=O)N2CCOCC2)cc2c1CCCCC2	PC-id_40987058	392.535	VVTAJDXZOZJAAM-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-109978
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)/C=C(C#N)/c1nnc2n1CCCCC2	PC-id_135776600	392.537	FOZBTXVUGOFNNC-SFQUDFHCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-109979
CC(=C)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCCC(CC1)c1ccccc1C	PC-id_144718885	392.537	UOHMIAVNWCZVAK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-109980
CCn1cc(c2c1C=CCN(C2=O)CCCN1CCN(CC1)c1ccccc1)C	SCHEMBL6779798,PC-id_22738107	392.537	BFKGZWBRJGDXGQ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-109981
Nc1nc2c(s1)CC[N@@H+](CC2)C/C=C/c1cccc(c1)OCc1ccccc1	GLL_PC-id_19985708	392.537	SWBDZRXHLNCPKF-WEVVVXLNSA-O	00000000100000110101000000000010000000000000000000000000	31-01-109982
O=C1C(=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=C1C(C)(C)C)C(C)(C)C	PC-id_8863109	392.537	AEBVUFTXNGRSPT-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-109983
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)CC(C)C)CCn12	ChEMBL-DNDi_CHEMBL19762883,MCULE-5339263308,PC-id_45183101,EMOLS-id_20454923	392.539	KUCQMIRLGKHPKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109984
c1(sc(nc1C)NCC1CCCO1)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-4339502269,EMOLS-id_323428472	392.539	XRKVFNIJWQRUKN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109985
CC(C)CC(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)CN(C)C)n2CC1	CoCoCo_1207059,ZINC22_14883279	392.539	KUCQMIRLGKHPKJ-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109986
CC(C)CC(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n2CC1	ZINC22_14883277,CoCoCo_1207058	392.539	KUCQMIRLGKHPKJ-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-109987
CC(C)OCCCNC(=O)CN1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_84621895,CoCoCo_4896623,MCULE-6022256961,CoCoCo_4896622,PC-id_45891604,EMOLS-id_30045198	392.539	CQPJIFJRYOMWFB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109988
CCNC(=NCC1(CCO)CCOC1)NCCCc1nnc2n1CCCCC2	PC-id_109814519	392.539	NFSBQIWNBPJIEE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109989
CCNC(=NCc1nnc2n1CCCCC2)NCCCOCC1CCOCC1	PC-id_111644618	392.539	UWOULKLTJSFHOE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109990
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCOC1CCOC1	PC-id_109675865	392.539	WNMZFCGVZJDTRQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109991
CCNC(=NCCCc1nnc2n1CCCCC2)NC(COC1CCOC1)C	PC-id_112087291	392.539	YMIMGLUAIZMBRY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109992
CCNC(=NCCCOCC1CCCO1)NCCc1nnc2n1CCCCC2	PC-id_111408467	392.539	VMMTYELKXNHBNU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109993
CCNC(=NCCCOCC1CCOC1)NCCc1nnc2n1CCCCC2	PC-id_111645844	392.539	SJSKYOUXTXIOAK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109994
CN=C(NCCc1nnc2n1CCCCC2)NCCCOCC1CCOCC1	PC-id_111642784	392.539	OVYVHNCBOOQDOQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109995
CN=C(NCCCc1nnc2n1CCCCC2)NCCCOCC1CCCO1	PC-id_111409617	392.539	VPHXEYJFTOQUFM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109996
CN=C(NCCCc1nnc2n1CCCCC2)NCCCOCC1CCOC1	PC-id_111647532	392.539	RKEBVIIXAATHME-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-109997
COCCCOC1CCN(CC1)C(=NCc1nnc2n1CCCCC2)NCC	PC-id_109509589	392.539	GWHJKNCQDLZFHK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109998
COCCCOC1CCN(CC1)C(=NC)NCCc1nnc2n1CCCCC2	PC-id_109508623	392.539	HRDAJECLJFUYEP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-109999
COCCOCC1CCN(C1)C(=NCCc1nnc2n1CCCCC2)NCC	PC-id_111747376	392.539	WYABGPVIKKXOPD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-110000
COCCOCC1CCN(C1)C(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111747673	392.539	OQJKBDPDKMCKOV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-110001
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)C)C)C(=O)OC	PC-id_20166623	392.539	WLLTWCHIDWINCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110002
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(nn(c1)CC)C)C(=O)OC	PC-id_20177537	392.539	KMGPBIPZCNENRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110003
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1)CC)C)C(=O)OC	PC-id_20177596	392.539	ZBAAQHXSKXGCNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110004
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(nn(c1)C)C)C(=O)OCC	PC-id_20177308	392.539	AFEVJUULYOMYLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110005
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1)C)C)C(=O)OCC	PC-id_20177369	392.539	JHVHFWZVRUCPLD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110006
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(CC)cc1)C(=O)OCC	PC-id_17266790	392.539	DQKFAUDPQIKUEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110007
s1c2c(CCCCC2)c(c1NC(=S)NCc1c(nn(c1)C)C)C(=O)OC	PC-id_20177700	392.539	VLDLQHSABCRMKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110008
s1c2c(CCCCC2)c(c1NC(=S)NCc1c(n(nc1)C)C)C(=O)OC	PC-id_20177750	392.539	DJDVUTZSGYMJNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110009
s1c2c(CCCCC2)c(c1NC(=S)NCc1cn(nc1)CC)C(=O)OC	PC-id_20177861	392.539	IESXWTADADJIKB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110010
s1c2c(CCCCC2)c(c1NC(=S)NCc1cn(nc1)C)C(=O)OCC	PC-id_20177649	392.539	CJKZUXCSMOOFBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110011
s1c2c(CCCCC2)c(c1NC(=S)NCc1nn(c(c1)C)C)C(=O)OC	PC-id_20171968	392.539	XWFULXKAFGDMSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110012
s1c2c(CCCCC2)c(c1NC(=S)NCc1n(ncc1)CC)C(=O)OC	PC-id_20175110	392.539	FCSIBLDKIOCXKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110013
s1c2c(CCCCC2)c(c1NC(=S)NCc1nn(cc1)C)C(=O)OCC	PC-id_20174936	392.539	YXMRASVFKJTMRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110014
s1c2c(CCCCC2)c(c1NC(=S)NCc1n(ncc1)C)C(=O)OCC	PC-id_20174999	392.539	WULXMMWCUCRNCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110015
s1c2c(CCCCC2)c(c1NC(=S)NCc1nn(CC)cc1)C(=O)OC	PC-id_20175053	392.539	HUDBZWSOISUQCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110016
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1nccc1)C(=O)OC	PC-id_20174576	392.539	TVHHDFYOZJOWNA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110017
s1c2CCCCCCc2c(c1NC(=O)CSC1NC(CC(=O)N1)C)C#N	PC-id_78326931	392.539	KQWJZPNOPLAPJP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110018
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(nn(c1)C)C)C(=O)OC	PC-id_20177303	392.539	PUMOXFVYSZCKRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110019
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1)C)C)C(=O)OC	PC-id_20177363	392.539	CKEIQQGDSFFBIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110020
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(cc1)C)C(=O)OCC	PC-id_20177260	392.539	FGMHGKAKTMQEEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110021
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(CC)cc1)C(=O)OC	PC-id_20177452	392.539	SECXLKOLCVGSDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110022
s1c2c(CCCCCC2)c(c1NC(=S)NCc1cn(nc1)C)C(=O)OC	PC-id_20177645	392.539	UWIZDZSGRRYEJY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110023
s1c2c(CCCCCC2)c(c1NC(=S)NCc1[nH]ncc1)C(=O)OCC	PC-id_17263421	392.539	WHAIKRPSJCGWDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110024
s1c2c(CCCCCC2)c(c1NC(=S)NCc1nn(cc1)C)C(=O)OC	PC-id_17269555	392.539	SAVJKFQXUSFBLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110025
s1c2c(CCCCCC2)c(c1NC(=S)NCc1n(ncc1)C)C(=O)OC	PC-id_20174992	392.539	IWZZPAZSNXPHLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110026
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(=Cc2ccccc2)CC1	PC-id_109414369	392.54	QTEWLHYAXJBILD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110027
CN=C(N1CCC(=CC1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111264027	392.54	SBVRLGOCCWNIQI-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-110028
Cc1nsc(n1)N1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103980	392.542	QNKUKGLNVHCJSR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-110029
CCc1nsc(n1)N1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_111848593	392.542	XETFARDNOYYAFK-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-110030
S(c1n(nnn1)C1CCCC1)CC(=O)Nc1sc2CCCCCCc2n1	PC-id_56021210	392.542	KZFQJZHEYAUIAF-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-110031
C1([2H])CCCc2cc(c([nH]2)/C=C/C(=CC(=N2)c2ccc[nH]2)OC)[C@H](CC1)CCCC	PC-id_137330191	392.555	TXFXBRICRNFFRR-VEWIJLSBSA-N	00000011110000000100100000000010000000000000000000000000	31-01-110032
CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1	PC-id_45898555,ZINC22_40119484,EMOLS-id_29595085,CoCoCo_4917936,MCULE-1297225442	392.555	MAZKTZSPDFEWIC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110033
CCOC(=O)c1c2c(CCCCC2)sc1NC(=O)CCN1CCC(C)CC1	CoCoCo_1817244,CoCoCo_1817245,PD123446,ZINC22_1801777,PC-id_1586888,MCULE-1289111823,EMOLS-id_300054144	392.555	MYYREYNATUCYBC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110034
CCOC(=O)c1c(NC(=O)CCN2CCCCC2)sc2c1CCCCCC2	PC-id_143287551	392.555	PKQMQJGCBWVOFH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110035
O=C(c1sc2c(c1)CCCCCC2)NCC1(CCOCC1)N1CCOCC1	EMOLS-id_101520207	392.555	TYGDBVBELNSLIG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-110036
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(CC(C1)C)C)C(=O)OCC	PC-id_17282584	392.555	CEVZAVUGYQDCRJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110037
s1c2c(CCCCC2)c(c1NC(=O)CN1C(CCCC1C)C)C(=O)OCC	PC-id_22197963	392.555	ADFDQJNROUOOQJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110038
s1c2c(CCCCC2)c(c1NC(=O)CN(C1CCCCC1)C)C(=O)OCC	PC-id_22200530	392.555	IGJSMNQKKFELOV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110039
s1c2c(CCCCCC2)cc1C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C	PC-id_52731227	392.555	HDLOCJGRIVRUMM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110040
s1c2c(CCCCCC2)c(c1NC(=O)CN1C(CCCC1C)C)C(=O)OC	PC-id_17282543	392.555	DJRUAAZVLLFUAR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110041
s1c2c(CCCCCC2)c(c1NC(=O)CN1CC(CC(C1)C)C)C(=O)OC	PC-id_22198000	392.555	QXMBRMJBDLHJAG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110042
s1c2c(CCCCCC2)c(c1NC(=O)CN(C1CCCCC1)C)C(=O)OC	PC-id_22200485	392.555	HDHZDACLCGQZTO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110043
s1c2CCCCCCc2c(c1NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C#N	PC-id_4168483	392.557	VKNYEIDERBFEEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110044
s1c2CCCCCCc2c(c1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C#N	PC-id_6026728	392.557	VKNYEIDERBFEEK-NTCAYCPXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110045
c1(NC(=O)CCC(=O)NCCCCN2CCCC2)sc2c(CCCCC2)n1	MCULE-1292488663,EMOLS-id_335003809	392.559	OCIRYDCADVRMRP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-110046
CC1OC(C)CN(C1)CC1CCCN1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_110348915	392.559	BZVNFTZEUDDLOM-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-110047
CCCC(=O)NCC1CCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101098622	392.559	PXYJGRZKTODFAN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110048
C[C@H]1CN(CCN1C(=O)Nc1sc2c(n1)CCCCCC2)C1CCOCC1	EMOLS-id_101074621	392.559	ZXVYDCQCIDBCRC-HNNXBMFYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-110049
C[C@@H]1CN(CCN1C(=O)Nc1sc2c(n1)CCCCCC2)C1CCOCC1	EMOLS-id_101098376	392.559	ZXVYDCQCIDBCRC-OAHLLOKOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-110050
O=C(N1CCCC(C1)CC(C(=O)N)(C)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101432097	392.559	JKCFKGGADBXCFA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110051
O=C(N1CCC[C@H](C1)CN1CCOCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_97798031	392.559	LOUGGHGABWQQAA-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110052
O=C(N1CCC[C@@H](C1)CN1CCOCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_97948711	392.559	LOUGGHGABWQQAA-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110053
O=C(N1CCN(CC1)CC1CCOCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101066500	392.559	XGUSVTXBLOTCTR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110054
O=C(Nc1nc2c(s1)CCCCC2)NC1CCN(CC1)C1CCCCC1O	EMOLS-id_100534431	392.559	QBSYNHYOFICLSZ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-110055
O=C(Nc1nc2c(s1)CCCCC2)NCC1(CCCCC1)N1CCOCC1	PC-id_112825172	392.559	CNZBDLDPVYFXDW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-110056
O=C(Nc1sc2c(n1)CCCCCC2)NC1CCN(CC1)C(=O)CC(C)C	EMOLS-id_101103665	392.559	KLXXQHGIKBMXGJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110057
O=C(Nc1sc2c(n1)CCCCCC2)NCC1(CCOCC1)N1CCCC1	EMOLS-id_101098526	392.559	QDBPZMAQGOMXTI-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-110058
c12-c(c(ccc(C(C)C)c1)C=Cc1c3-c(cc(C(C)C)cc1)c(cc3)C)ccc2C	PC-id_85673193	392.575	ZCHKSLUEDQKZAM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-110059
CCN(C(=O)C[N@@H+]1CCCN(CC1)C(=O)c1cc2c(s1)CCCCC2)CC	GD-id_ZINC46052059	392.579	MCLPGZCBJTULPM-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-110060
s1c2c(CCCCC2)c(c1NC(=S)NCCC1=CCCCC1)C(=O)OC	PC-id_17269806	392.579	JFKXDSQZEBJXSH-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-110061
s1c2c(CCCCC2)c(c1NC(=S)NC(CC)(CC)C#C)C(=O)OCC	PC-id_19711772	392.579	VMQOZMKOYLLFCZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110062
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC)(CC)C#C)C(=O)OC	PC-id_19711765	392.579	RVNXHWOTKGJTHT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110063
s1c2c(CCCCCC2)c(c1NC(=S)N(CC=C)CC=C)C(=O)OCC	PC-id_19653114	392.579	MZYODTNFXJPKJF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110064
CC(C[C@@H](c1nnc2n1CC[N@@H+](CC2)[C@H](C1CCC1)C)NC(=O)C[NH+](C)C)C	GD-id_ZINC14959308	392.582	UPVXTPSGTUKWSQ-WMZOPIPTSA-P	00001000100000000101000000000010000000000000000000000000	31-01-110065
CCNC(=NCC(CCC)(CCC)O)NCCCc1nnc2n1CCCCC2	PC-id_109515111	392.582	FJFOWFDRVCJSKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110066
CCOC(C(C)C)CCNC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_111717916	392.582	QNEHVFHLCFJGKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110067
OCCC(CC(C)C)CN=C(NCC)NCCCc1nnc2n1CCCCC2	PC-id_111715103	392.582	QVZQMTXKOPKCDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110068
c1(NC(=O)CCCCCCCCCCC)sc2c(CCCCC2)c1C(=O)N	TIMTEC171515,MCULE-1814665717,PC-id_4165242,CoCoCo_6811405,EMOLS-id_4070884,ZINC22_97944221	392.598	GLAQYYNGQZCUMO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110069
s1c2c(CCCCCC2)c(c1NC(=O)CCCCCCCCCC)C(=O)N	PC-id_5176967	392.598	BOHMBHXAKPXFJQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110070
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCSC(C1)C(C)C	PC-id_109565270	392.605	XMEIJWFHXYCPHA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110071
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCC(C1)SC	PC-id_112082237	392.605	AYXWPEVMLLLLSH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110072
CCSC1CCC(C1)NC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_112083699	392.605	BCSKJLHDLYRVNE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-110073
CCSC1CCCC(C1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112084119	392.605	XHVYNMANTZXGQR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110074
CCCCCCCCCCCCCCCCCc1nc2c(s1)NCCCC2	PC-id_15069534,SCHEMBL8317761	392.685	GAKYBDMOVARQHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110075
c12C(=O)NCC(O)Cn1nc(C(=O)N(CC)CCOc1ccc(cc1)Cl)c2	EMOLS-id_82738253,PC-id_119072907,MCULE-1116136113	392.837	ZERWMTBHOYNUAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110076
c12C(=O)NCC(O)Cn1nc(C(=O)N(C)CCCOc1cccc(Cl)c1)c2	EMOLS-id_82730383,PC-id_119069963,MCULE-9295216868	392.837	ZIMFTHUKYVGUDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110077
c12C(=O)NCC(O)Cn1nc(C(=O)N(CCCO)Cc1ccc(cc1)Cl)c2	EMOLS-id_55649373,PC-id_91835183,MCULE-9337606263	392.837	DHWWHIIHXOOCOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110078
CCN(CCOc1ccc(Cl)cc1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426677956	392.837	ZERWMTBHOYNUAN-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110079
CCN(CCOc1ccc(Cl)cc1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426677958	392.837	ZERWMTBHOYNUAN-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110080
CN(CCCOc1cccc(Cl)c1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426584990	392.837	ZIMFTHUKYVGUDG-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110081
CN(CCCOc1cccc(Cl)c1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426584995	392.837	ZIMFTHUKYVGUDG-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110082
COC(=O)CN(C(=O)C1CCn2c(CC1)nnc2)Cc1cc(Cl)ccc1O	MCULE-6889836045,EMOLS-id_258059327	392.837	NAZHNAGEGWKXBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110083
O=C1NC[C@H](O)Cn2nc(C(=O)N(CCCO)Cc3ccc(Cl)cc3)cc12	ZINC22_244594189	392.837	DHWWHIIHXOOCOU-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110084
O=C1NC[C@@H](O)Cn2nc(C(=O)N(CCCO)Cc3ccc(Cl)cc3)cc12	ZINC22_244594190	392.837	DHWWHIIHXOOCOU-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110085
O=C(C1CCn2c(CC1)nnc2)Nc1nnc(s1)c1c(F)cccc1Cl	MCULE-4878065868,EMOLS-id_320172181	392.838	WRZSWTLWHLKFLB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110086
Fc1cccc(Cl)c1CC(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-8849884544,PC-id_91910846,EMOLS-id_50586129	392.855	NUNQKRBZXANMJD-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-110087
Clc1c2OCOc2cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)c1	PC-id_52458675	392.857	AGEUOCANDCOGRA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-110088
Clc1c2OCOc2cc(C(=O)NNC(=O)c2sc3CCCCCc3c2)c1	PC-id_9429470	392.857	LPHVXXLQRAQCQM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-110089
Clc1ccc(cc1)NC(=O)c1c(NC(=O)C(=O)O)sc2c1CCCCC2	PC-id_68928294,SCHEMBL4139730	392.857	NECOIRDMVSXVGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110090
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)c(F)ccc1	PC-id_4604484	392.875	BCZCOWVIXCVGJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110091
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)c(F)ccc1	PC-id_6162111	392.875	BCZCOWVIXCVGJS-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110092
Clc1ccc(OCCCN(C(=O)Cn2nc3n(CCCCC3)c2=O)C)cc1	PC-id_55898223	392.88	ZDLLNMADULBDID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110093
Clc1cc(C(=O)NCc2n3CCCCCc3nn2)cc(OC)c1OCCC	PC-id_51266307	392.88	JNCRUALWJMCLJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110094
Clc1cc(C(=O)NCCc2n3CCCCCc3nn2)cc(OC)c1OCC	PC-id_51304473	392.88	UEWCMUDCQBFMKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110095
Clc1cc(OCCCN(C(=O)Cn2nc3n(CCCCC3)c2=O)C)ccc1	PC-id_55917344	392.88	GVZPTXJHOVNKSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110096
COc1ccc(CN2CCc3nn(CC4CC4)c(=O)n3CC2)c(Cl)c1OC	PC-id_91922466,EMOLS-id_50585789	392.88	OLHDUOHKIZAWLE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-110097
COc1cc(C(=O)NCc2nnc3n2CCCCC3)cc(Cl)c1OC(C)C	PC-id_51111068,ZINC22_53282578,MCULE-7542813850,EMOLS-id_33338308	392.88	JCGYVXOUEXSPLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110098
n12C(CCCCc1nn(CC(C)C)c2=O)C(=O)Nc1ccc(c(Cl)c1)OC	MCULE-4301182762,EMOLS-id_207869349	392.88	MNRMVBKPUHDWPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110099
COCCn1c(=O)n2CCN(CCc2n1)S(=O)(=O)c1ccc(s1)Cl	MCULE-9712152275,EMOLS-id_50585723,PC-id_91910668	392.881	JRPJCBIOYDKJOR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-110100
c1(nn(cc1Cl)C)C(=O)N1CCCn2nc(CCC(=O)NC(C)C)cc2C1	MCULE-8843791108,PC-id_72915116,EMOLS-id_46081243,ZINC22_91871523	392.883	CSQUWTKYQBMFSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110101
CC(C)(C)CNC(=O)c1ncn2c1CN(C(=O)Cn1cc(Cl)cn1)CCC2	EMOLS-id_313787960,ZINC22_1565555118	392.883	SLKBUUINWLPZEX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110102
Clc1n(nc(c1C=C(c1n2CCCCCc2nn1)C#N)C)Cc1ccccc1	PC-id_84857112	392.885	JGTKFOXGGJYEIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110103
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)Cc1ccccc1	PC-id_8863096	392.885	JGTKFOXGGJYEIS-SFQUDFHCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110104
c1(c2CCCCCc2sc1NC(=O)c1cccnc1Cl)C(=O)OC(C)C	TIMTEC313087,MCULE-6216235887,EMOLS-id_4071088,ZINC22_671423,SPECS-id_AK-968/13028398,CoCoCo_5821657,PC-id_1010968	392.9	MMYXISBEZHIFBM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-110105
c1(NC(=O)c2ccc(c(Cl)c2)OCC)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_1774652,MCULE-1998641020,CoCoCo_6154221,PC-id_4690175,ZINC22_4715633	392.9	QIEXZDMWUDCWBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110106
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCCCCC2)c1C(=O)N	TIMTEC397969,EMOLS-id_1093766,PC-id_1221185,CoCoCo_908376,SPECS-id_AK-968/12117073,ZINC22_996460,MCULE-6213207522	392.9	QDRRDFIPKWXZPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110107
c1(NC(=O)c2cccnc2Cl)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_1027493,TIMTEC491235,CoCoCo_5820614,SPECS-id_AK-968/37272030,MCULE-7597830660,EMOLS-id_4071092,ZINC22_694505	392.9	UXRQTJZAGLFROJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-110108
c1(NC(=O)C(C)Oc2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)N	MCULE-3605218177,PC-id_2933199,EMOLS-id_2201558	392.9	UWEYXAVKULQHFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110109
c1(NC(=O)COc2ccccc2Cl)sc2c(CCCCCC2)c1C(=O)N	MS2_ST028716,CoCoCo_5819305,ZINC22_668295,EMOLS-id_4071094,PC-id_1008616,SPECS-id_AK-968/12384068,Chemmine_59746,MCULE-8018240136	392.9	QTCIUALGKIJZCF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110110
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCCCCC2)c1C(=O)N	ZINC22_4611860,EMOLS-id_2094923,TIMTEC300364,SPECS-id_AK-968/11990089,PC-id_2862423,MCULE-9515849549,CoCoCo_682838	392.9	LYUJQPWWWMQTAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110111
Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_6203004,PC-id_4048772	392.9	KBDAKLCCJFBASY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110112
Cc1cc(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)ccc1Cl	ZINC22_32125099,PC-id_20166080	392.9	LHXGIIGSZBNAIG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110113
CCC(n1/c(=N/C(=O)c2cccc(c2)Cl)/sc2c1CCCCC2)C(=O)O	SCHEMBL14807598,PC-id_71537303	392.9	SPNMTDQUQRZHFH-VZCXRCSSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110114
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_1293750,CoCoCo_906246,ZINC22_1116063	392.9	UWEYXAVKULQHFP-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-110115
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_1116064,CoCoCo_906245,PC-id_1293749	392.9	UWEYXAVKULQHFP-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110116
Clc1ccc([C@H](OC)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_52434300	392.9	DNJCFZQNXBFHPD-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110117
Clc1ccc([C@@H](OC)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_52434301	392.9	DNJCFZQNXBFHPD-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110118
Clc1ccc(C(OC)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_75846929	392.9	DNJCFZQNXBFHPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110119
Clc1cc(CC(=O)NNC(=O)c2sc3CCCCCc3c2)c(OC)cc1	PC-id_9092560	392.9	LPWHHTXUJJPJAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110120
Clc1ccc(NC(=O)c2c3CCCCCc3sc2NC(=O)COC)cc1	PC-id_68929035,SCHEMBL4141594	392.9	MORYQMXEQSTJJD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110121
Clc1ccc(NC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_4688185	392.9	MXRHEXMLJBJMRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110122
Clc1ccc(NC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_4059215	392.9	IVNGKPCJMQDXDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110123
Clc1cc(C=NNC(=O)c2sc3CCCCCc3c2)cc(OC)c1OC	PC-id_78620799	392.9	CCGQIEAULNTQEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110124
Clc1ccc(OC(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)C)cc1	PC-id_60387941	392.9	ITVWRCZONJLNMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110125
Clc1ccc(OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)cc1	PC-id_7475077	392.9	UYKNCYSMCHKTEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110126
Clc1c([C@H](OC)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cccc1	PC-id_52434295	392.9	DOLKLXPVYIVLRQ-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110127
Clc1c([C@@H](OC)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cccc1	PC-id_52434296	392.9	DOLKLXPVYIVLRQ-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110128
Clc1cc(NC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_4244936	392.9	HHUUHPPSLXAPGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110129
Clc1cc(NC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_4156402	392.9	NOPXGTYHOHFKHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110130
Clc1c(C(OC)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cccc1	PC-id_75846927	392.9	DOLKLXPVYIVLRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110131
Clc1c(COCC(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_55792057	392.9	ZBCWEKBKXUKZQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110132
Clc1ncccc1C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCCC	PC-id_5082891	392.9	JSWFQBIOZGKQSI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-110133
Clc1ncccc1NC(=O)[C@@H](OC(=O)c1sc2CCCCCCc2c1)C	PC-id_8943223	392.9	MSKDMMCRLFPJRF-LBPRGKRZSA-N	00000000100000101100000000000010000000000000000000000000	31-01-110134
Clc1ncccc1NC(=O)[C@H](OC(=O)c1sc2CCCCCCc2c1)C	PC-id_8943228	392.9	MSKDMMCRLFPJRF-GFCCVEGCSA-N	00000000100000101100000000000010000000000000000000000000	31-01-110135
Clc1ncccc1NC(=O)C(OC(=O)c1sc2CCCCCCc2c1)C	PC-id_55420251	392.9	MSKDMMCRLFPJRF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-110136
NC(=O)c1c(NC(=O)COCc2ccccc2Cl)sc2c1CCCCC2	PC-id_71940889,ZINC22_89814009,MCULE-3969510327,EMOLS-id_45637853	392.9	CVDABEVTNHMLIG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110137
c1(NC(=O)Nc2ccc(cc2)Cl)c(C(=O)N)c2c(s1)CCN(CC2)CC	CHEMBL4117545,SCHEMBL17018780,PC-id_118307440	392.903	WFVVXEYHNNJRBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110138
CC(C)NC(=O)N1CCc2nc(C(=O)Nc3cccc(Cl)c3)sc2CC1	PC-id_97442431,ZINC22_96146907,EMOLS-id_44303782	392.903	MKAWJZABMQFTCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110139
CC(C)NC(=O)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1	PC-id_97442426,EMOLS-id_44303772,ZINC22_96146902	392.903	SMIYTKQWXUZRBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110140
CCN1CCCc2c(C1)sc(c2C(=O)N)NC(=O)Nc1ccc(cc1)Cl	SCHEMBL17006310,PC-id_118269990	392.903	BQNXPFCLNLPUPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110141
Clc1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCOC)C)CC2)ccc1	PC-id_42275039	392.903	DCBFHHJMNMPVJS-AWEZNQCLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-110142
Clc1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)ccc1	PC-id_42275041	392.903	DCBFHHJMNMPVJS-CQSZACIVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-110143
Clc1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)ccc1	PC-id_74787062	392.903	DCBFHHJMNMPVJS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-110144
Clc1cccc(c1)SC1CCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161278	392.906	LVHOTIIZJWGZPG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-110145
C[C@H](c1ccc(c(c1)Cl)F)N1CC[N@H+](CC1)Cc1nnc2n1CCCCC2	GD-id_ZINC52440536	392.921	HZADYVAERROLFN-OAHLLOKOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-110146
CCCOc1c(Cl)cc(cc1OCC)CNCc1nnc2n1CCCCC2	MCULE-9400842725,PC-id_121844143,EMOLS-id_50939240	392.923	RVROIPTWICVHHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110147
c1(NC(=O)CCCOc2cc(C)c(c(C)c2)Cl)sc2c(CCCCC2)n1	MCULE-6204050369,EMOLS-id_334602617	392.943	QJGDSXBVTHPBQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110148
Clc1ccc(cc1)CN1CCc2c(CC1)cc(s2)NC(=O)OC(C)(C)C	SCHEMBL11289455,PC-id_13072063	392.943	LZMBPPUBNJGFRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110149
CN=C(NCc1nnc2n1CCCCC2)NCCSc1ccc(cc1)Cl	PC-id_111371833	392.949	FLKHUKQNHKQTCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110150
Clc1ccc(cc1)CN1CC[NH+](CC1)Cn1nc2n(c1=S)CCCCC2	GD-id_ZINC23253991	392.969	LACFXDIHGOLPHI-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-110151
Clc1cc(N2CC[NH+](CC2)Cn2nc3n(c2=S)CCCCC3)c(cc1)C	PC-id_8206678	392.969	AYDDXWBXIVUKJN-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-110152
C[C@@H]1C(CN=Cc2nnc(n12)C(C)(F)F)N/C(=CC=C)/O[C@@H](C)C(F)(F)F	PC-id_163709456	393.159	KHXDRUOIGNUOAY-RQDCTXMLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-110153
CC1(CC2=C(CN(C1)C(=O)NC3=NN(C=C3)C4=C(C=C(C=C4)C#N)F)C=NN2)C	PC-id_154763822,EMOLS-id_257935748,MCULE-9751555338	393.171	YGVHGAJVNGLUSE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110154
CC1=C(C=CC(=N1)C(C)C)CN(CC2=NN=C3N2CCOCC3)S(=O)(=O)C	MCULE-6833129452,EMOLS-id_317359892,PC-id_154772187	393.183	NHXREEMBFTWVTA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-110155
CC1=CC=C(C=C1)CC2=NC(=NN2)C(=O)N[C@@H]3CCN4C(=CC(=N4)C)N(C3=O)C	PC-id_149193231	393.191	XDFYYQQPDYAKHG-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110156
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3CCOC3	PC-id_155203601	393.226	WZZWXKKXRSOMFQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-110157
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)C3CCOCC3	PC-id_155203600	393.226	OLTAMVRCXDZACL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110158
Brc1ccc(cc1)C(C(=O)O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_72326228,MCULE-7428697621,PC-id_120518147	393.232	CRWXVKDXRFKBSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110159
CC(C)CN1CC[C@@H](C1)CNC(=O)C2=CC3=C(S2)N(CCCC3)CCOC	PC-id_164635897	393.245	WRWDNZCXIOBXPY-QGZVFWFLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-110160
CC(=O)NCCCCC1N[C@@H](CCCN2C=C(CCC(=O)N1)N=N2)C(=O)CN	PC-id_160095019	393.249	BSMLVYPFZPUQKN-MYJWUSKBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110161
O=C(C1CCn2c(CC1)nnc2)NC(c1[nH]c2c(n1)cc(c(c2)Cl)Cl)C	EMOLS-id_316551506	393.27	LPOOEHDHGNVFBL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110162
BrC1COC(C(C)C)c2nn(cc2C1=O)Cc1ccc(OC)cc1	SCHEMBL365075,PC-id_66666969	393.275	QBBLVWFLULISBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110163
Brc1ccc(OC(C(=O)NCc2n3CCCCCc3nn2)C)cc1	PC-id_51266298	393.278	FNFZPLQGULIRJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110164
Brc1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1OC	PC-id_51304511	393.278	YALTUJWOZYJXRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110165
Brc1c(C(=O)NCCc2n3CCCCCc3nn2)cc(OC)cc1	PC-id_51304475	393.278	BUKSUMJJJIPVLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110166
Brc1cnn(c1)C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100993615	393.278	QPXVDTIZDNQFCE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-110167
CC(Oc1ccccc1Br)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319434283	393.278	ZYOQOYNKKPHVQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110168
CC(Oc1cccc(c1)Br)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319507878	393.278	CHDLPKRHONTMKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110169
COc1cc(Br)cc(c1NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101845936	393.278	XVDVURSMQDDDKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110170
COc1cc(C)c(cc1NC(=O)N1CCCc2c(C1)cnn2C)Br	EMOLS-id_101851090	393.278	CIZNAONHMZAODR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110171
O=C(COc1ccc(Br)cc1)NCCc1nnc2n1CCCCC2	EMOLS-id_13535130,MCULE-7850210944,ZINC22_14198405,PC-id_17468791,CoCoCo_4472988	393.278	ZKXPITDGBMRTMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110172
Brc1sc(nc1C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026779	393.283	GPJXILQJCYKPKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110173
Brc1ccc(N/N=C/2C(CCCc3sccc23)CC(=O)O)cc1	PC-id_10810560	393.298	KDMMFIMZRMPNAP-LVZFUZTISA-N	00000000100000110100000000000010000000000000000000000000	31-01-110174
Brc1ccc(NN=C2C(CCCc3sccc23)CC(=O)O)cc1	PC-id_85275533	393.298	KDMMFIMZRMPNAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110175
Brc1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_7536176	393.298	RYXGMOQLWUTGGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110176
c1(NC(=O)c2cccc(Br)c2)sc2c(CCCCC2)c1C(=O)N	MCULE-7989707962,PC-id_4200969,EMOLS-id_1772836,ZINC22_4176849,CoCoCo_5014621	393.298	RJBXOIWAKAVHJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110177
c1(NC(=O)c2ccc(cc2)Br)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_1776870,MCULE-3422839828,ZINC22_993964,PC-id_1219252,CoCoCo_655468	393.298	GRNNOUNRQINVNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110178
c1(NC(=O)c2ccccc2Br)sc2c(CCCCC2)c1C(=O)N	MCULE-9215006422,PC-id_4076462,CoCoCo_5014623,EMOLS-id_1774110,ZINC22_4176851	393.298	GSHYQMIQMIZCTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110179
c1(C(=O)N2CCN(CC2)c2ccc(c(Cl)c2)Cl)c2CCCCCc2[nH]n1	EMOLS-id_323248825,MCULE-5822719563	393.31	MSVXUQATOWXRSG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110180
O=C(c1n(C)cc2c1OC(F)(F)CNS2(=O)=O)Nc1ccc(c(c1)F)F	SCHEMBL18352801	393.313	BUCVVXXLRUNHOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110181
C/C=CC(=C/C(CC1=Cn2c(C=CC1)nnc2C(F)(F)F)C)OC(F)(F)F	PC-id_144742093	393.327	RXIMIJKILYRPGZ-HZPINNGZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-110182
Brc1ccc(N(C(=O)c2sc3CCCCCCc3c2)CC)nc1	PC-id_56387799	393.341	RLBBIRHXQGRGNZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-110183
C=Cc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C=O)cc(c1)C(F)(F)F	PC-id_117616672,SCHEMBL16129871	393.36	HFXPFWJOUFAGCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110184
CN(C(=O)C1CCn2c(CC1)nnn2)Cc1[nH]c2c(n1)cc(cc2)C(F)(F)F	EMOLS-id_278973297	393.366	FIMDLMDBZIRGMZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110185
CN(C(=O)c1cncc2c1[nH]c(n2)C(F)(F)F)Cc1nnc2n1CCCCC2	EMOLS-id_316702545	393.366	ZQQSJEZFSKYTGH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110186
COC(=O)c1cc(NC(=O)NCCc2nnc3n2CCCCC3)c(cc1F)F	PC-id_86994097	393.388	QVHWFPUZBPHACY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110187
O=C(CNC(=O)c1cccc(OC(F)F)c1)NCc1nnc2n1CCCCC2	EMOLS-id_30731973,ZINC22_48344070,MCULE-7072733781,PC-id_47019780	393.388	HISPGGSEKRMJLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110188
CCC(=O)On1c(c2c(c1O)S(=O)(=O)OSSOS2(=O)=O)O	PC-id_91209341	393.391	IJXFQGNPRSOZFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110189
O=C1C(CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CC(C1)(F)F	SCHEMBL18366485	393.391	KHKIIIUFHAQHMB-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-110190
O=C(Nc1cc(F)c(cc1N1CCOCC1)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102014506	393.391	WJTXMKQFAXMUPO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110191
OC(=O)COC1(C)C=Cc2c(C=C1)nc(n2C)CN1C(=O)c2c(C1=O)cccc2	PC-id_145260421	393.393	RPQBCUWWFHVGKY-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-110192
O=Cc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366747	393.399	IDAQNOCREKHJJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110193
C1Cc2c(COC1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20695683,PC-id_137456359	393.403	FGMYJQQSGSKEIN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110194
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)Nc2c(C)ccc(C(=O)C)c2)n1	TIMTEC124747,CoCoCo_6628671,PC-id_19615194,MCULE-3125165352,ZINC22_12846683,EMOLS-id_8065863	393.403	DKUFCQJEYYSMEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110195
c1(C(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c2CCCCCc2on1	CHEMBL1358106,ZINC22_8595894,EMOLS-id_16234791,TIMTEC503700,MCULE-2216896808,CoCoCo_2401391,PC-id_16023526	393.403	VLOXUCYYXGBFKJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110196
O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCCc2occc2C1	ZINC22_585083995	393.403	OQYDTEXERZXLTD-HNNXBMFYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-110197
O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCCc2occc2C1	ZINC22_585083996	393.403	OQYDTEXERZXLTD-OAHLLOKOSA-N	00000000100010101100100000000010000000000000000000000000	31-01-110198
O=C(N1CCCc2c(C1)cco2)C1CCCN(C1)c1ncccc1C(F)(F)F	MCULE-6271000128,EMOLS-id_177263429	393.403	OQYDTEXERZXLTD-UHFFFAOYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-110199
c1(cn2c(CCNCC2)n1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F	EMOLS-id_330411233,ZINC22_1857712489,MCULE-1535680075	393.406	PKKDLDOPMNZJJS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110200
FC(c1cnc(N2CCN(C(=O)c3c4c(CCCCC4)[nH]n3)CC2)cc1)(F)F	EMOLS-id_49248458,STOCK7S-47007,PC-id_75490091,ZINC22_96231736,MCULE-1528948576,EMOLS-id_54878120	393.406	HDGDEVQCPTXYTG-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-110201
O=C(C1CCn2c(CC1)nnc2)NC1CCN(C1)c1ccc(cc1)C(F)(F)F	MCULE-9952404795,EMOLS-id_320301951	393.406	FUXGLGMLSZGNST-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-110202
CC#CCC1COc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	PC-id_139471119,SCHEMBL21337115	393.408	PMHKQJDNMQUKRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110203
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)Nc1cc2-c(c1)ccccc2	PC-id_143555322	393.411	PJPKACDZRPODPQ-IBGZPJMESA-N	00000010100000110111100000000010000000000000000000000000	31-01-110204
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccn1)c2)Cc1ccc(cc1)F	MCULE-3478658139,EMOLS-id_32846174,PC-id_50797890	393.414	APTXLFGCBRIBKN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110205
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccn1)c2)Cc1cccc(F)c1	EMOLS-id_32632906,PC-id_53034512,MCULE-7854460563	393.414	NLMGHGNCYFQAGJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110206
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCc1cccnc1	EMOLS-id_32846176,MCULE-3968419830,PC-id_50797895	393.414	UPVAVINQPURISV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110207
Fc1ccc(cc1)C(=O)N1CCc2n(CC1)c(nn2)CNC(=O)c1ccccc1	PC-id_42325687,ChEMBL-DNDi_CHEMBL14183433	393.414	NBEXKJMRFXIUSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110208
O=CC1=C(NC(=O)NC1c1ccc(cc1)F)CN(C1=CC=c2c(=CC1)cn[nH]2)C	PC-id_142979606	393.414	CYRFPDBHTKTPDY-UHFFFAOYSA-N	00000000100011110111100000000010000000000000000000000000	31-01-110209
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)N(C(=O)C1=O)C)C(=O)OC	PC-id_7756804	393.414	HCBLDONRCNZXIO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-110210
CCOC(=O)CC(C(F)(F)F)c1sc2c(c1)CCN(CC2)C(=O)OCC	PC-id_68345958,SCHEMBL12671907	393.421	UACHIXUCUKBORY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110211
O=C(c1n[nH]c2c1CCCCC2)NS(=O)(=O)C1CCC(CC1)C(F)(F)F	EMOLS-id_112051802	393.424	DAJALARUESAAJZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110212
SC[C@H](NC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)C(=O)OCC	PC-id_19523664	393.424	CLURWWPGEXSXCA-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-110213
SCC(NC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)C(=O)OCC	PC-id_73612446	393.424	CLURWWPGEXSXCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110214
CCOC(=O)c1cc(c2-c1ccc(cc2)Nc1ccc(cc1)OC)C(=O)OCC	PC-id_101270410	393.432	KFHXTKBDMAFJGA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-110215
CC([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C)O	SCHEMBL21337305,PC-id_139471306	393.433	GMTOKMRVLYJENG-JOPIAHFSSA-N	00000000100000110111000000000010000000000000000000000000	31-01-110216
C[C@@H](C1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C)O	PC-id_140762603	393.433	GMTOKMRVLYJENG-VPHXOMNUSA-N	00000000100000110111000000000010000000000000000000000000	31-01-110217
C[C@@H]([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C)O	SCHEMBL18353382	393.433	GMTOKMRVLYJENG-XHDPSFHLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-110218
O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)c1noc2c1CCCCC2	EMOLS-id_50353771,ZINC22_129359882,PC-id_99625674,MCULE-5787293086	393.433	SIDYCTOKNKRZEU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-110219
COc1ccc(NC(=O)c2noc3c2CCCCC3)cc1OCc1cccnc1	ZINC22_97102939,MCULE-3936303882,EMOLS-id_49965698,PC-id_86802780	393.436	IYBOZJGLDJVNKP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110220
O=C(N1CCC(CC1)CC1C=NCCn2c(O1)nc(c2)[N+](=O)[O-])OC(C)(C)C	PC-id_145578233	393.437	XHEZSTZKSDMZOV-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-110221
c1(C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)cc(nn1C)c1ccccc1	PC-id_56913671,EMOLS-id_43170324,MCULE-3138280440,ZINC22_72477459	393.439	MAIZTSSHEBGXIE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110222
Cc1noc(C)c1C(=O)N1CCc2ccc(C(=O)NCc3cccnc3)n2CC1	ZINC22_585110947,EMOLS-id_313774029	393.439	FRSQOQMRZUADKT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-110223
COc1ccc(cc1)C(N1CCc2nnc(Cc3cccnc3)n2CC1)C(=O)O	EMOLS-id_316171707,PC-id_134699828,MCULE-7498295274	393.439	RDQGSACQVCRTDF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110224
COc1cccc(c1)C(N1CCc2nnc(Cc3cccnc3)n2CC1)C(=O)O	PC-id_134711732,MCULE-5251768424,EMOLS-id_316235020	393.439	QCNCYYYEEJPQHL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110225
COc1ccc(cc1OCc1ccncc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319829526	393.439	UJHBWZGQPDRHTM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110226
COc1cccc([C@@H](C(=O)O)N2CCc3nnc(Cc4cccnc4)n3CC2)c1	ZINC22_1529187237	393.439	QCNCYYYEEJPQHL-FQEVSTJZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110227
COc1cccc([C@H](C(=O)O)N2CCc3nnc(Cc4cccnc4)n3CC2)c1	ZINC22_1529187238	393.439	QCNCYYYEEJPQHL-HXUWFJFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110228
COc1ccc([C@@H](C(=O)O)N2CCc3nnc(Cc4cccnc4)n3CC2)cc1	ZINC22_1529114633	393.439	RDQGSACQVCRTDF-FQEVSTJZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110229
COc1ccc([C@H](C(=O)O)N2CCc3nnc(Cc4cccnc4)n3CC2)cc1	ZINC22_1529114636	393.439	RDQGSACQVCRTDF-HXUWFJFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110230
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(Oc2ccc(cc2)C)nc1	PC-id_55787544	393.439	TZNSWLIWXVWOAU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110231
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(c(Oc2cccnc2)cc1)C	PC-id_60581377	393.439	ZWLBIQPRWLGXKO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110232
O=C(c1ccc2c(c1)nc[nH]2)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111829064	393.439	CXPDRGMJMSOYPJ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-110233
O=C(Cn1cnc2c1c(=O)cc(c(=O)n2C)C)Nc1ccccc1N1CCCC1	SCHEMBL19036653	393.439	FJOGOOOVVMJEGO-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-110234
O=C(NCc1n2CCCCCc2nn1)c1cc(NC(=O)c2occc2)c(cc1)C	PC-id_51266252	393.439	XUCJBTHQKXBKCX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110235
O=C(NCCc1n2CCCCCc2nn1)c1cc(NC(=O)c2occc2)ccc1	PC-id_55823407	393.439	HHZRCEHAQNHDCG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110236
O=C(NCCc1nnc2n1CCCCC2)c1ccc(NC(=O)c2ccco2)cc1	MCULE-8087395809,EMOLS-id_16730052,PC-id_17518546,CoCoCo_4472998,ZINC22_12920898	393.439	VBVUTJOQOSWUHF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110237
CCc1ccccc1NC(=O)N1CCc2n(CC1)c(nn2)COc1cncnc1	PC-id_97405430	393.442	LGNYMAISYRBGOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110238
CCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366761	393.442	CVPQAYQNZJEIIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110239
O=C1C(CCCn2c(N1C)ccn2)NC(=O)c1nnc([nH]1)C(c1ccccc1)C	SCHEMBL18366222	393.442	SCAJJZQTTVCFOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110240
O=C1[C@H](CCCn2c(N1C)ccn2)NC(=O)c1nnc([nH]1)C(c1ccccc1)C	SCHEMBL18377668	393.442	SCAJJZQTTVCFOD-WUJWULDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110241
O=C1[C@H](CCn2c(N1C)c(C)c(n2)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366517	393.442	TYWKGOWLPDHLMO-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110242
O=C1[C@H](CCn2c(N1C)c(C)c(n2)C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL18366582	393.442	LONLPADXZDOXMW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110243
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)C(c1ccccc1)C	SCHEMBL18366515	393.442	JDJFFURBATZTQK-WMCAAGNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110244
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)Cc1ccccc1C	SCHEMBL18367121	393.442	PIEWVDDDZLACIL-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110245
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)[C@H](c1ccccc1)C	SCHEMBL18372808	393.442	JDJFFURBATZTQK-HOCLYGCPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110246
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)[C@@H](c1ccccc1)C	SCHEMBL18372993	393.442	JDJFFURBATZTQK-ZBFHGGJFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110247
O=C(c1ccc(cc1)N(C)C)N1CCc2n(CC1)c(nn2)COc1cncnc1	PC-id_97405425	393.442	KRCKGAJZLOLBSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110248
O=C(c1ncn(n1)Cc1ccccc1)NC1CCn2c(N(C1=O)C)c(nc2C)C	SCHEMBL19641550	393.442	BYZFQKVZUYNWKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110249
O=C(c1ncn(n1)Cc1ccccc1)N[C@@H]1CCn2c(N(C1=O)C)c(nc2C)C	SCHEMBL18367146	393.442	BYZFQKVZUYNWKU-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110250
O=C(NCc1cc(CNC(=O)c2nnc3CCCCCn23)ccn1)c1ccc[nH]1	ZINC22_2356161778,EMOLS-id_337832802	393.442	JPUNOWJGCZMTCG-UHFFFAOYSA-N	00000000110000101101000000000010000000000000000000000000	31-01-110251
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(CC)c1ccc(cc1)C	PC-id_19523676	393.446	UTMKNTFRALGBIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110252
s1c2CCCCCCc2cc1C(=O)OC(C(=O)Nc1c(F)cccc1F)C	PC-id_18208578	393.447	GFLIURIHUMAQBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110253
s1c2CCCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(F)cccc1F)C	PC-id_8943233	393.447	GFLIURIHUMAQBJ-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110254
s1c2CCCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(F)cccc1F)C	PC-id_8943240	393.447	GFLIURIHUMAQBJ-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110255
s1c2CCCCCc2nc1NC(=O)CCCNC(=O)c1c(F)cc(F)cc1	PC-id_24611873	393.451	SITOESPXZBITGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110256
s1c2CCCCCCc2nc1NC(=O)CCNC(=O)c1c(F)cc(F)cc1	PC-id_56022230	393.451	AGVBGHJUIRXKBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110257
Fc1ccc(CC2CCCCc3c2[nH]nc3OC(=O)NCc2ccccc2)cc1	SCHEMBL300713,PC-id_66647663	393.454	VSABMUFPISIDGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110258
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)C#Cc1cscc1	PC-id_139087273,CT-id_2240463	393.456	JZONKKNWMMZFBD-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-110259
CCSC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)F	PC-id_87142523,SCHEMBL692065	393.456	XHUAABRZHDBVQY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-110260
c1(CN(c2ccc(cc2)F)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	EMOLS-id_10086414,CoCoCo_2580246,ZINC22_4518173,MCULE-7679468401,ChEMBL-DNDi_CHEMBLF2559-0255,PC-id_7267305	393.457	JVFGQPYFVNRDPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110261
c1(CN(c2ccc(cc2)F)C(=O)Nc2ccccc2C)nnc2CCCCCn12	PC-id_7267303,MCULE-7147967892,ZINC22_4518171,EMOLS-id_10086596,ChEMBL-DNDi_CHEMBLF2559-0253,CoCoCo_2580244	393.457	VIXVLFHOSAGEQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110262
c1(CN(c2ccc(cc2)F)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	CoCoCo_2580245,PC-id_7267304,EMOLS-id_10086470,ChEMBL-DNDi_CHEMBLF2559-0254,MCULE-8062463576,ZINC22_4518172	393.457	KCQXIHVRWPAWBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110263
c1(CN(c2cccc(F)c2)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	ZINC22_5223408,CoCoCo_6271487,EMOLS-id_10086406,PC-id_7565915,MCULE-1033591395	393.457	ZACDYXRGXFCTGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110264
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)F)C(=O)Nc1cccc(C)c1	MCULE-5297702904,PC-id_4752712,ZINC22_16769852	393.457	IUQOUARPWWOGFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110265
Cc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(F)cc1	PC-id_4451795,EMOLS-id_3051668,MCULE-3123834441,CoCoCo_3777807,ZINC22_5559857	393.457	UHUWEFMWMJHADF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110266
Cc1ccccc1NC(=O)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1	MCULE-9451014829,CoCoCo_6602350,ZINC22_28527991,PC-id_16458845	393.457	VSKMPNQYZICVTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110267
Cc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(F)cc2)c1	MCULE-5990469377,PC-id_16458824,ZINC22_28527949,CoCoCo_6602291	393.457	OFQVRMYWQJMWMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110268
Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(F)cc2)cc1	PC-id_16458811,MCULE-9775570470,ZINC22_28527921,CoCoCo_6602275	393.457	YMHXUYYZYCPEFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110269
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cc(OC)ccc1OC	PC-id_53182929,MCULE-1108681555,EMOLS-id_33087304	393.457	UCEVRMFIVCMKOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110270
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cc(OC)cc(OC)c1	PC-id_53182921,MCULE-8066839632,EMOLS-id_33087264	393.457	PLLIPMSGNBUISW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110271
COc1ccccc1OCCNS(=O)(=O)c1cn2c(c1)C(=O)N(CCC2)C	PC-id_53182880	393.457	BEQYUANKQLZCCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110272
Fc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1	PC-id_42436225,ZINC22_12159037,CoCoCo_1327341,CoCoCo_1327342,EMOLS-id_20538731,MCULE-7121981521	393.457	CSKUTMFFJSIWHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110273
Fc1cc(N(Cc2n3CCCCCc3nn2)C(=O)Nc2c(cccc2)C)ccc1	PC-id_7565913	393.457	TXQYEJBPDVCRTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110274
Fc1cc(N(Cc2n3CCCCCc3nn2)C(=O)Nc2cc(ccc2)C)ccc1	PC-id_7565914	393.457	WHFKEXVOWBPHPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110275
Fc1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2c(cccc2)C)cccc1	PC-id_7565943	393.457	UMYXHIYJQVWJCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110276
Fc1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2cc(ccc2)C)cccc1	PC-id_7565946	393.457	PWUVQSKHIHLCDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110277
Fc1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2ccc(cc2)C)cccc1	PC-id_7565954	393.457	HEDKSCVYXAGTND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110278
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(C)C)C(=O)OC	PC-id_52453722	393.457	HBHHYJHAIULPRB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-110279
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)COc1ccc(cc1)c1ccccc1	PC-id_90625485	393.459	BJIPTHYUHURPMM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110280
C1CCc2c(CC1)sc(c2)C(=O)OC/C(=C(C#N)/c1nc2ccccc2[nH]1)/O	PC-id_135772235	393.459	LPXODZZYIKGCCJ-VKAVYKQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-110281
c1(NC(=O)c2cccc(c2)N2C(=O)CCC2=O)sc2c(CCCCC2)c1C#N	ZINC22_4079300,CoCoCo_4975647,MCULE-2287076346,PC-id_3338167,EMOLS-id_5430362	393.459	JZGLPYMRNVHTMO-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-110282
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	CoCoCo_1767807,PC-id_1924881,ZINC22_2306800	393.459	XOUWMMDJOYRBEO-GFCCVEGCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110283
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	PC-id_1924880,CoCoCo_1767808,ZINC22_2306799	393.459	XOUWMMDJOYRBEO-LBPRGKRZSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110284
CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1sc2CCCCCc2c1C#N	MCULE-7164173922,STOCK2S-52722,EMOLS-id_3742932,CHEMBL1402275,TIMTEC553155,ChEMBL-DNDi_CHEMBL1402275,ChEMBL-DNDi_CHEMBL4072-2558,PC-id_5127969	393.459	XOUWMMDJOYRBEO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110285
N1(CCC(=O)Nc2sc3c(CCCCC3)c2C#N)C(=O)c2c(cccc2)C1=O	PC-id_1913836,MCULE-2403921510,TIMTEC153108,EMOLS-id_2021846,STOCK2S-41555,ZINC22_2292761,CoCoCo_790141	393.459	FQMRGZDPTRWPJO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110286
N#Cc1c(NC(=O)COC(=O)c2cc3c([nH]2)cccc3)sc2c1CCCCC2	GD-id_ZINC11226929,PC-id_41880120	393.459	XISUPYWQEYTVSC-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-110287
s1c2CCCCCc2cc1C(=O)OCC(=O)C(=C1Nc2c(N1)cccc2)C#N	PC-id_7352154	393.459	YWTXSLCQFLQMQS-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-110288
s1c2CCCCCc2cc1C(=O)OCC(=O)C(=C1NC2C(=N1)C=CC=C2)C#N	PC-id_78474838	393.459	SSCFUHQOMGLFFL-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-110289
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1cc(ccc1)C#N)C)C#N	PC-id_8458977	393.459	UQKZCTUOALYPDI-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110290
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1cc(ccc1)C#N)C)C#N	PC-id_8458980	393.459	UQKZCTUOALYPDI-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110291
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c2c([nH]c1)cccc2)C#N	PC-id_27535046	393.459	NUMNRKBEYROGRE-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-110292
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1ccc(cc1)C#N)C)C#N	PC-id_55417502	393.459	VCPMJRYNSPJNSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110293
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(ccc1)C#N)C)C#N	PC-id_78702548	393.459	UQKZCTUOALYPDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110294
COc1ccccc1CNC(=O)C1CN(CCc2n1c(C)nn2)S(=O)(=O)C	MCULE-7995336470,EMOLS-id_313086621	393.461	JAJGOIMEIPPJBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110295
S(=O)(=O)(NC)c1cc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55656492	393.461	NGKOOCNOOGXRSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110296
S(=O)(=O)(N(OC)C)c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_46529248	393.461	HMFNXVOHDNJOKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110297
Cc1ccc(cn1)C(=O)N1CCc2nc(sc2CC1)C(=O)Nc1ccncc1	EMOLS-id_313793082,ZINC22_2055793397	393.462	XAWUSLVRUVGDED-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-110298
Cc1cnc(cn1)C(=O)N1CCc2c(CC1)nc(s2)C(=O)Nc1ccccc1	PC-id_97442412	393.462	MDVOGEXCOVNKCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110299
Cc1csc(n1)NC(=O)c1nc2c(o1)CCN(CC2)Cc1ccc(cc1)C#N	PC-id_134807188	393.462	OXPXKXABWSQFAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110300
N#Cc1ccccc1S(=O)(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356162559,MCULE-7345984431,EMOLS-id_337781365	393.462	FDTKWELIBMHSGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110301
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)C)CC2)cccc1	PC-id_42372166	393.462	IPJQEDUJNKVSNN-OAHLLOKOSA-O	00000000100000111101000000000010000000000000000000000000	31-01-110302
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)C)CC2)cccc1	PC-id_42372169	393.462	IPJQEDUJNKVSNN-HNNXBMFYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-110303
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)cccc1	PC-id_74800309	393.462	IPJQEDUJNKVSNN-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-110304
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)c3ncccc3)CC2)cccc1)C	PC-id_42327864	393.462	UKSBKHYAPKNCDM-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-110305
O=C(c1nc2c(s1)CCN(CC2)C(=O)c1ccncn1)NCc1ccccc1	PC-id_97524676	393.462	BYCGMYYKIWLKIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110306
O=C(N1CCc2c(CC1)nc(s2)C(=O)Nc1ccncc1)Nc1ccccc1	PC-id_97524667	393.462	GVJPXZFSKKAOBP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110307
O=C(Nc1ccccc1)N1CCc2nc(sc2CC1)C(=O)Nc1cccnc1	PC-id_97442452,ZINC22_96146928,EMOLS-id_44303824	393.462	WCRMYAFJBRPVLC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110308
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)/c/1=C/c1occc1)CC=C	PC-id_2312750	393.462	NWLWTWGIXVFWMZ-VWPUUCPESA-N	00000000101000000101000000000010000000000000000000000000	31-01-110309
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)/c/1=C/c1occc1)CC=C	PC-id_2312752	393.462	NWLWTWGIXVFWMZ-MLTGRMFNSA-N	00000000101000000101000000000010000000000000000000000000	31-01-110310
s1c(=C(c2n3CCCCCc3nn2)C#N)n(c(=O)c1=Cc1occc1)CC=C	PC-id_4522865	393.462	NWLWTWGIXVFWMZ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-110311
C1CCc2nnc(n2CC1)/C(=C(/CSc1n[nH]c(n1)c1ccccc1)O)/C#N	PC-id_135597165	393.465	TXAUNXKFJTXGRH-PFONDFGASA-N	00000000100000110101100000000010000000000000000000000000	31-01-110312
c1(C(=O)N2CCn3c(CC2)nnc3Cc2cccnc2)c(C)nc2sccn12	EMOLS-id_49658972,ZINC22_97574996,PC-id_74239935,MCULE-7282179183	393.465	XKRAVEIWZAXLJA-UHFFFAOYSA-N	00000000100000101101000100000010000000000000000000000000	31-01-110313
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1nc([nH]n1)c1ccccc1	PC-id_84826284	393.465	VDHJUUBVCLEDKF-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-110314
S(CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N)c1nc([nH]n1)c1ccccc1	PC-id_8738819	393.465	VDHJUUBVCLEDKF-NBVRZTHBSA-N	00000011100000110111100000000010000000000000000000000000	31-01-110315
CC(C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C)C	SCHEMBL18352837	393.476	JLCIUIOQUAZKPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110316
OC(c1n(C)cc2c1C=C[C@@H](NS2(=O)=O)C)NC(=C)CC/C(=C(/C#C)C)/F	PC-id_139471128,SCHEMBL21337122	393.476	SNTWIFMMAZKFNE-AZJQBOIASA-N	00000000100000000111000000000010000000000000000000000000	31-01-110317
CC1(N(C(CO1)C=CCC1CCCCc2noc(=O)n12)C(=O)OC(C)(C)C)C	PC-id_91162127	393.477	WUJNECGEPKOYJD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-110318
C=C[C@@H]1c2ccsc2CCN([C@@H]1C(=O)O)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966467	393.477	BMJUZRITWPGHIW-PBHICJAKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110319
C=C[C@@H]1c2ccsc2CCN([C@H]1C(=O)O)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966483	393.477	BMJUZRITWPGHIW-RHSMWYFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110320
COc1ccc(cc1)S(=O)(=O)N1CCc2c(C=CCOC(=O)C1)ccs2	PC-id_88135318,SCHEMBL7383265	393.477	STYJGCFXOVOJDH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-110321
COc1ccc(cc1)S(=O)(=O)N1CCc2sccc2/C=CCOC(=O)C1	SCHEMBL7383264	393.477	STYJGCFXOVOJDH-IHWYPQMZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-110322
O1C(N([C@@H](C1)C=CCC1n2c(noc2=O)CCCC1)C(=O)OC(C)(C)C)(C)C	PC-id_59923010	393.477	WUJNECGEPKOYJD-YSSOQSIOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-110323
O=C(c1cc2c(s1)CCCCC2)Nc1cc(cc(c1)S(=O)(=O)C)C(=O)O	MCULE-2241551905,EMOLS-id_52317399,PC-id_119257739	393.477	LAGVQGKDYFIKPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110324
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1sccc1)C(=O)OC	PC-id_2689420	393.477	BNFUZFIKAMWLFC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-110325
s1c2c(C(C(NCC2)C(=O)OS(=O)(=O)c2ccc(OC)cc2)C=C)cc1	PC-id_54380077	393.477	UZHCCOWEJJUZQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110326
S(=O)(=O)(N1C(C(c2c(scc2)CC1)C=C)C(=O)O)c1ccc(OC)cc1	PC-id_76632863	393.477	BMJUZRITWPGHIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110327
S(=O)(=O)(N1C(Cc2sccc2C(C1)C=C)C(=O)O)c1ccc(OC)cc1	PC-id_76474650	393.477	KBKNLYFAOISFKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110328
S(=O)(=O)(N1[C@@H](Cc2sccc2[C@@H](C1)C=C)C(=O)O)c1ccc(OC)cc1	PC-id_57067053	393.477	KBKNLYFAOISFKR-WBMJQRKESA-N	00000000100000110100000000000010000000000000000000000000	31-01-110329
S(=O)(=O)(N1[C@H]([C@H](c2c(scc2)CC1)C=C)C(=O)O)c1ccc(OC)cc1	PC-id_57129657	393.477	BMJUZRITWPGHIW-WMLDXEAASA-N	00000000100000110100000000000010000000000000000000000000	31-01-110330
CC1CC1(CC(=O)N=c1ccc2c(cc1)[nH]cc2C)C(=CC1=C(OCO1)CN)C	PC-id_136618536	393.479	GLNKBLZWXVPGFN-UHFFFAOYSA-N	00100011100000000111000000000010000000000000000000000000	31-01-110331
CC1CC1(CC(=O)Nc1ccc2-c(c(cn2)C)cc1)C(=CC1=C(OCO1)CN)C	PC-id_90698561	393.479	UYSSPTVXCCPHNJ-UHFFFAOYSA-N	00100011100000000111000000000010000000000000000000000000	31-01-110332
Fc1cccc(c1)S(=O)(=O)N1CCCn2c(C1)c(nn2)CN1CCCCC1	PC-id_97519682	393.479	PIWBOLDPRZWZEE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110333
Fc1ccccc1S(=O)(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_44370746,ZINC22_96259599,PC-id_97519681	393.479	JASQFBPVOKMMJM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110334
O=C(C(C1=CCC=c2c(=C1)nc(n2C)NC(=O)c1ccco1)C)C1CCCCC1	PC-id_143082216	393.479	NTYRLNSAMYFTIN-UHFFFAOYSA-N	00000000101010000111000000000010000000000000000000000000	31-01-110335
S(=O)(=O)(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(F)cc1	PC-id_51307420	393.479	JVVNAHZLFYNGQC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110336
S(=O)(=O)(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc(F)ccc1	PC-id_51307418	393.479	XXQUVFDHQZTPNL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110337
S(=O)(=O)(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(F)cccc1	PC-id_51307419	393.479	IGBYCQMZHFYICW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110338
c1(C(=O)OCC)c2CCCCCc2sc1N/C=C
/C(=O)NC(=S)NC1=O	CoCoCo_1807293,EMOLS-id_46498226,CoCoCo_1807294,MCULE-7623208294,CoCoCo_5961828,CoCoCo_1807296,PC-id_5595561,STOCK3S-86481,CoCoCo_5961829,ZINC22_18284588,EMOLS-id_3741100,CoCoCo_1807295	393.48	HFBKEUYKOOSRGY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110339
c1(N=CC2C(=O)NC(=S)NC2=O)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4259096,MCULE-6540052748	393.48	LOXZZHBMPRSPGG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110340
C=CCN1C(=CS/C/1=C(/c1nnc2n1CCCCC2)C#N)c1ccc(cc1)F	CoCoCo_3729573,PC-id_2315202	393.48	RIMBZGSHVDQTIC-HEHNFIMWSA-N	00000011100000110101100000000010000000000000000000000000	31-01-110341
C=CCN1C(=CS/C/1=C(c1nnc2n1CCCCC2)/C#N)c1ccc(cc1)F	CoCoCo_3729574,PC-id_2315201	393.48	RIMBZGSHVDQTIC-FXBPSFAMSA-N	00000011100000110101100000000010000000000000000000000000	31-01-110342
C=CCN1C(=CSC1=C(c1nnc2n1CCCCC2)C#N)c1ccc(cc1)F	MCULE-9425819930,PC-id_4102903	393.48	RIMBZGSHVDQTIC-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-110343
CCOC(=O)c1c2CCCCCc2sc1/N=C/C1C(=O)NC(=S)NC1=O	EMOLS-id_27016457,PC-id_23835378,CoCoCo_1807291	393.48	LOXZZHBMPRSPGG-QGMBQPNBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110344
CCOC(=O)c1c(/N=CC2C(=O)NC(=S)NC2=O)sc2c1CCCCC2	CoCoCo_1807292	393.48	LOXZZHBMPRSPGG-LSCVHKIXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110345
CCOC(=O)c1c(sc2c1CCCCC2)/N=C/c1c([nH]c(=S)[nH]c1=O)O	PC-id_135469916	393.48	KZTQWNHJNCTLEV-QGMBQPNBSA-N	00000000100000100101000000000010000000000000000000000000	31-01-110346
O=C1CCCc2c(N1)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_69581409,SCHEMBL5821204	393.48	WSOQGRJGYLBNHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110347
O=c1oc2c(n1C)ccc(c2)S(=O)(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_110210439	393.48	GQPYDXQAGYEDSM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110348
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1ccc(cc1)C(=O)N	PC-id_25616142,MCULE-8647623877,EMOLS-id_16735968,CoCoCo_4323772	393.48	UVDMXPXRZAWUGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110349
O=C(Oc1sc2c(c1C(=O)O)CCC2)CSc1nnc2n1CCCCC2	SCHEMBL21082431,PC-id_138706173	393.48	CGBYCRFYUBFIDG-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-110350
s1c2CCCCCc2c(c1NC(=O)COC(=O)CN1CSCC1=O)C#N	PC-id_24372880	393.48	KMQRAVOCEROIOV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-110351
s1c2c(CCCCC2)c(c1NC(=O)CSc1[nH]c(=O)ccn1)C(=O)OC	PC-id_9143569	393.48	ARKGLHNAONNGTG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-110352
CN1C(=O)C(CCn2c1cc(n2)CCN1CCOCC1)NC(=O)OC(C)(C)C	SCHEMBL18367387	393.481	ZJOSLBCCRCYOOM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110353
COC1CN(C1)CCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)OC(C)(C)C	SCHEMBL18367405	393.481	QENDWUNWNQENIK-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-110354
O=C(NCCCOC)C1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55974988	393.481	GLWOGARKMPBZAB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110355
c12CN(CCCn1nc(C#N)c2)CC1(CCCN(CCc2ccccc2)C1=O)O	EMOLS-id_36461447,MCULE-8173026112,PC-id_56720476	393.482	GFNISWXBMWQCMY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110356
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3C)C)CCn12	PC-id_45197334,EMOLS-id_20517057,MCULE-9353105438	393.482	OPCGENLGWAHKSZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110357
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(c(C)c3)C)CCn12	EMOLS-id_20625245,MCULE-1156891174,PC-id_45222560	393.482	XLCUZBWPAQPECZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110358
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cc(C)ccc3C)CCn12	PC-id_45216404,EMOLS-id_20599399,MCULE-9864375239	393.482	KFPARXQGJWEWNI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110359
c1(C(C)NC(=O)c2ccco2)nnc2CCN(CCCc3ccccc3)CCn12	MCULE-4262871001,EMOLS-id_20559123,PC-id_45206990	393.482	MKXXLKLGXUNNIO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110360
c1(C(C)NC(=O)c2ccoc2C)nnc2CCN(Cc3ccc(cc3)C)CCn12	ChEMBL-DNDi_CHEMBL25629541,MCULE-9532857131,EMOLS-id_20488457,PC-id_45190898	393.482	USXPQIABTMHANO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110361
c1cncc(Cc2nnc3n2CCN(Cc2ccc([C@@H]4CCCCO4)o2)CC3)c1	ZINC22_820408745	393.482	YWRDJIYLBYOYKM-IBGZPJMESA-N	00000000101010101101100000000010000000000000000000000000	31-01-110362
c1cncc(Cc2nnc3n2CCN(Cc2ccc([C@H]4CCCCO4)o2)CC3)c1	ZINC22_820408746	393.482	YWRDJIYLBYOYKM-LJQANCHMSA-N	00000000101010101101100000000010000000000000000000000000	31-01-110363
Cc1ccc(C)c(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1	CoCoCo_1398996,MCULE-1752509764,ZINC22_19223273,EMOLS-id_20587151,CoCoCo_1398995,PC-id_28098610	393.482	ZPHGYESXEBLNTN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110364
Cc1ccc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c1	CoCoCo_1417363,CoCoCo_1417362,ZINC22_19229173,PC-id_28101744	393.482	KFPARXQGJWEWNI-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110365
Cc1ccc(C)c(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1	ZINC22_19229174,PC-id_28101745,CoCoCo_1417365,CoCoCo_1417364	393.482	KFPARXQGJWEWNI-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110366
Cc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1C	PC-id_28357959,EMOLS-id_20637557,ZINC22_19791480,MCULE-8566126764,CoCoCo_1474869,ChEMBL-DNDi_CHEMBL61148102,CoCoCo_1474868	393.482	CCASBZVTIIDJBU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110367
Cc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c(C)c1	ChEMBL-DNDi_CHEMBL15021627,CoCoCo_1164608,ZINC22_19745096,CoCoCo_1164607,EMOLS-id_20424317,MCULE-3183331964,PC-id_28312924	393.482	KQDCLDTYMBCZOH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110368
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1C	CoCoCo_1455926,ZINC22_19770838,CoCoCo_1455925,PC-id_28331000	393.482	XLCUZBWPAQPECZ-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110369
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1C	ZINC22_19770837,CoCoCo_1455923,PC-id_28330999,CoCoCo_1455924	393.482	XLCUZBWPAQPECZ-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110370
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c(C)c1	CoCoCo_1295819,CoCoCo_1295820,ZINC22_20781019,PC-id_29152160	393.482	OPCGENLGWAHKSZ-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110371
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c(C)c1	ZINC22_20781017,CoCoCo_1295818,PC-id_29152159,CoCoCo_1295817	393.482	OPCGENLGWAHKSZ-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110372
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)cc1	CoCoCo_1254732,ZINC22_20598605,PC-id_29084876,CoCoCo_1254731	393.482	USXPQIABTMHANO-INIZCTEOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110373
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc1	PC-id_29084875,CoCoCo_1254730,CoCoCo_1254729,ZINC22_20598604	393.482	USXPQIABTMHANO-MRXNPFEDSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110374
Cc1cc(CN2CCc3n(CC2)c(nn3)CCNC(=O)c2cocc2)cc(c1)C	ChEMBL-DNDi_CHEMBL21467370	393.482	PFIPXBXEFGAMAG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110375
Cc1cc(CN2CCc3n(CC2)c(nn3)C(NC(=O)c2ccco2)C)cc(c1)C	ChEMBL-DNDi_CHEMBL55151997,PC-id_45166955	393.482	YEMHJNXGEUBAMD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110376
Cc1cc(C)n(c2cccc(CN3CCCn4nc(CCC(=O)O)cc4C3)c2)n1	MCULE-1824714286,EMOLS-id_46613532,ZINC22_95362716,PC-id_72865568	393.482	YJUPKRDGAZTTRA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110377
Cc1noc(C)c1CCC(=O)N1CCc2nc(CCc3ccccc3)nn2CC1	EMOLS-id_337651930,ZINC22_2100539829,MCULE-8445947091	393.482	ZWKZFBWXXDKODZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110378
CCc1ccc(cc1)CN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccco1	ChEMBL-DNDi_CHEMBL63535174	393.482	HJCSCEHFCRLBIT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110379
CN(C(=O)C=Cc1ccc(cc1)N1CCCC1=O)Cc1nnc2n1CCCCC2	EMOLS-id_26236570,PC-id_72055592,MCULE-3573346811	393.482	XQXWYNQHZBPZGA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-110398
CCc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1	PC-id_28464754,CoCoCo_1507658,EMOLS-id_20658977,CoCoCo_1507657,MCULE-8195152822,ZINC22_19939532	393.482	IVKXZKHYCMRQKN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110380
CCc1ccc(o1)CN1CCc2n(CC1)c(nn2)CNC(=O)Cc1ccccc1	ChEMBL-DNDi_CHEMBL46762957	393.482	LJQKRDWZPLAHIS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110381
CC(CN1CCc2nnc(CCNC(=O)c3ccco3)n2CC1)c1ccccc1	EMOLS-id_20655755,MCULE-6230670800,PC-id_45229837	393.482	BCHNYFZXJUCBKA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110382
CC(CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1)c1ccccc1	MCULE-2943214548,PC-id_45197522,EMOLS-id_20517845	393.482	FSMXPQYXAAULFD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110383
C[C@@H](CN1CCc2nnc(CCNC(=O)c3ccco3)n2CC1)c1ccccc1	CoCoCo_1502541,ZINC22_12279003,CoCoCo_1502543	393.482	BCHNYFZXJUCBKA-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110384
C[C@H](CN1CCc2nnc(CCNC(=O)c3ccco3)n2CC1)c1ccccc1	CoCoCo_1502542,CoCoCo_1502540,ZINC22_12279004	393.482	BCHNYFZXJUCBKA-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110385
C[C@H](CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1)c1ccccc1	CoCoCo_1297011,CoCoCo_1297013,ZINC22_12002408	393.482	FSMXPQYXAAULFD-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110386
C[C@@H](CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1)c1ccccc1	CoCoCo_1297014,ZINC22_12002403,CoCoCo_1297012	393.482	FSMXPQYXAAULFD-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110387
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(CCCc1ccccc1)CC2	CoCoCo_1357212,PC-id_42500563,ZINC22_12281081,CoCoCo_1357211	393.482	MKXXLKLGXUNNIO-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110388
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(CCCc1ccccc1)CC2	PC-id_42500565,CoCoCo_1357213,CoCoCo_1357214,ZINC22_12281082	393.482	MKXXLKLGXUNNIO-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110389
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccco1)CC2	CoCoCo_1367565,PC-id_26341681,ZINC22_14987150,CoCoCo_1367564	393.482	SLMOEJIZVPFBGG-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110390
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccco1)CC2	CoCoCo_1367566,CoCoCo_1367567,PC-id_26341684,ZINC22_14987152	393.482	SLMOEJIZVPFBGG-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110391
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccco3)CCn12	EMOLS-id_20566265,MCULE-3088464116,ChEMBL-DNDi_CHEMBL42178660,PC-id_45208656	393.482	SLMOEJIZVPFBGG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110392
C(N1CCc2nnc(Cc3cccnc3)n2CC1)c1ccc(o1)C1CCCCO1	MCULE-2366557769,EMOLS-id_232854554	393.482	YWRDJIYLBYOYKM-UHFFFAOYSA-N	00000000101010101101100000000010000000000000000000000000	31-01-110393
CN(C1CCc2nn(c(=O)n2CC1)CC1CC1)C(=O)Cc1c[nH]c2ccccc12	PC-id_91922721,EMOLS-id_50586217,MCULE-5577712355	393.482	TXYUQCUKKHSNNQ-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-110394
CN(Cc1ccccc1)Cc1onc(c1)C(=O)NCc1[nH]nc2c1CCCCC2	CoCoCo_1586081,CoCoCo_1586080,CoCoCo_1586082,CoCoCo_1586083	393.482	WMWILLHRKBKKFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110395
CN(Cc1nnc2n1CCCCC2)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1	CoCoCo_4654939,PC-id_17536902,ZINC22_12766757	393.482	XQXWYNQHZBPZGA-JLHYYAGUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-110396
CN(C(=O)/C=Cc1ccc(cc1)N1CCCC1=O)Cc1nnc2n1CCCCC2	CoCoCo_4654940	393.482	XQXWYNQHZBPZGA-RAXLEYEMSA-N	00000010100000110101100000000010000000000000000000000000	31-01-110397
COc1ccc(c(c1)CNCc1nnc2n1CCCCC2)OCc1ccccn1	PC-id_121844454	393.482	YFVKRIZARBBBHD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110399
COc1ccc(cc1)CN(C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)C1CC1	PC-id_135809809	393.482	BPQQWXYBDFQBEC-VXPUYCOJSA-N	00100000100000110101000000000010000000000000000000000000	31-01-110400
COc1ccc(cc1OCc1cccnc1)CNCc1nnc2n1CCCCC2	PC-id_121837629,EMOLS-id_51089145,MCULE-4534758222	393.482	GSHVGQHSHODUOK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110401
COc1cc(CNCc2nnc3n2CCCCC3)ccc1OCc1ccncc1	EMOLS-id_51089177,PC-id_121837630,MCULE-3233803486	393.482	CHRHJNFBVYWYRU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110402
n12CCC(CCc1nn(CC1CC1)c2=O)NC(=O)CCc1c2ccccc2[nH]c1	PC-id_91910845,EMOLS-id_50586127,MCULE-9976019100	393.482	LZHUSUQXNXQISV-UHFFFAOYSA-N	00100000100000100101000001100010000000000000000000000000	31-01-110403
n12CCN(CCc1nnc2CCNC(=O)C1CCC1)Cc1cc2c(cccc2)o1	ZINC22_20599927,MCULE-1501805956,ChEMBL-DNDi_CHEMBL27033640,CoCoCo_1265220,PC-id_29086736,EMOLS-id_20495877,CoCoCo_1265219	393.482	ZWBSDOHAYVAJDH-UHFFFAOYSA-N	00001000100000100101000001000010000000000000000000000000	31-01-110404
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)CCCc1ccccc1	CoCoCo_1503525,MCULE-1806806539,EMOLS-id_20656347,ZINC22_12279096,PC-id_42499199,CoCoCo_1503526	393.482	KRRRZMRUGPSLAG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110405
N#Cc1cc2n(n1)CCCN(C[C@@]1(O)CCCN(CCc3ccccc3)C1=O)C2	PC-id_95226305,ZINC22_67934595	393.482	GFNISWXBMWQCMY-QFIPXVFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110406
N#Cc1cc2n(n1)CCCN(C[C@]1(O)CCCN(CCc3ccccc3)C1=O)C2	PC-id_95226306,ZINC22_67934596	393.482	GFNISWXBMWQCMY-JOCHJYFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110407
o1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)c(c2c1cccc2)C	PC-id_51308082	393.482	IMUWBHLMVMMASI-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-110408
O=C(CN(C1CC1)Cc1ccc(OC)cc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_84832725	393.482	COAJCIAGJDEAEE-UHFFFAOYSA-N	00100011000000110111000000000010000000000000000000000000	31-01-110409
O=C(CN(C1CC1)Cc1ccc(OC)cc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8770798	393.482	COAJCIAGJDEAEE-ZBJSNUHESA-N	00100011000000110111000000000010000000000000000000000000	31-01-110410
O=C(NCc1n2CCCCCc2nn1)c1c(n(c(c1)C)c1ccc(OC)cc1)C	PC-id_24676718	393.482	QHKPFYLUYYEVOP-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-110411
O=C(NCCc1n2CCN(CCc2nn1)Cc1cc(c(cc1)C)C)c1ccoc1	PC-id_28310447	393.482	HDLRRPMCOXETDD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110412
O=C(NCCc1n2CCN(CCc2nn1)Cc1c(ccc(c1)C)C)c1occc1	PC-id_29215864	393.482	BGCPMSCTHRLNJK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110413
O=C(NCCc1n2CCN(CCc2nn1)Cc1cc(cc(c1)C)C)c1occc1	PC-id_31017410	393.482	AFFAXYRYGLPODF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110414
CS(=O)(=O)N(Cc1nc2ccccc2s1)Cc1nnc2n1CCOCC2	EMOLS-id_316761012,ZINC22_1615551265,MCULE-9400182119	393.484	PIDDZIYCDKRTEK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110415
n12CCCCCc1nnc2/C(=C/c1c2c(n(c1)Cc1ccccc1)cccc2)/C#N	CoCoCo_3719233,PC-id_6141668	393.484	YNGPHKRFQZROOT-HMMYKYKNSA-N	00000000100000110101000001100010000000000000000000000000	31-01-110416
n12CCCCCc1nnc2C(=Cc1c2c(n(c1)Cc1ccccc1)cccc2)C#N	EMOLS-id_44489371,MCULE-1714812770,PC-id_4530390	393.484	YNGPHKRFQZROOT-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-110417
N#C/C(=C/c1cn(c2c1cccc2)Cc1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3719234	393.484	YNGPHKRFQZROOT-HKWRFOASSA-N	00000000100000110101000001100010000000000000000000000000	31-01-110418
s1c2c(CCCCC2)c(c1NC(=O)CSc1nc(ncn1)N)C(=O)OC	PC-id_23942184	393.484	YUQCDBCYSHMBID-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-110419
S(c1n2CCCCCc2nn1)CC(=O)C1C(=[N+](CCC)C(=O)N(C1=O)C)N	PC-id_84980723	393.484	LWWURLPDVILHOI-UHFFFAOYSA-O	00000000100011000101000000000010000000000000000000000000	31-01-110420
c12CN(CCCn1nc(CNC(=O)N(C)C)c2)Cc1c[nH]nc1c1ccccc1	PC-id_70725201,MCULE-7882612525,ZINC22_82099095,EMOLS-id_44430629	393.485	DJWNVGAFPXQDAF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110421
CCNC(=NCc1coc(n1)c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111553773	393.485	WVCVDHLDPMBRJZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110422
Cn1ncc(c1)CNc1ccc(cc1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_316734290	393.485	CZDZKMCPIRGMBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110423
CN(Cc1cccc(C(=O)Nc2cnn(C)n2)c1)Cc1n[nH]c2c1CCCCC2	EMOLS-id_32383240,ZINC22_67675030,PC-id_50956100,MCULE-2455152675	393.485	AGHXUOBOAPIBHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110424
CN=C(NCc1nnc2n1CCCCC2)NCc1coc(n1)c1ccc(cc1)C	PC-id_111590481	393.485	DDSFSWGLOXDYMB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110425
n12CCCNCc1cc(CCC(=O)NC(c1ccccc1)CCn1cncn1)n2	MCULE-7666399709,PC-id_70727997,EMOLS-id_43096799	393.485	HVIBMSMKTKXIAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110426
O=C(CCc1cc2n(n1)CCCNC2)N[C@@H](CCn1cncn1)c1ccccc1	PC-id_95867755,ZINC22_72420305	393.485	HVIBMSMKTKXIAB-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110427
O=C(CCc1cc2n(n1)CCCNC2)N[C@H](CCn1cncn1)c1ccccc1	ZINC22_72420304,PC-id_95867754	393.485	HVIBMSMKTKXIAB-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110428
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1nc2n(c1)ccc(c2)C	PC-id_51317241	393.485	IPIOCXYJTRGREC-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-110429
O=C(NCCc1n2CCCCCc2nn1)c1nn(nc1C)c1c(cc(cc1)C)C	PC-id_51304503	393.485	YEZXOUWBNHDAME-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110430
s1c2c(CCCCC2)c(c1NC(=O)CSc1ccc(F)cc1)C(=O)OC	PC-id_7546177	393.495	IELAJMJYCUMYLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110431
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCCCC2)c1C(=O)OCC	PC-id_2931817,EMOLS-id_2197884,TIMTEC203728,MCULE-6283566962,CHEMBL1329573	393.497	HVJCWEROXIZCJI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110432
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_2095365,TIMTEC148883,MCULE-6533701909,PC-id_2862544	393.497	FLTXXOCJBMXERF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110433
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_4894137,PC-id_1290957,CoCoCo_899941	393.497	HVJCWEROXIZCJI-OLZOCXBDSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110434
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_4894139,CoCoCo_899943,PC-id_1290956	393.497	HVJCWEROXIZCJI-STQMWFEESA-N	00000000100010000100000000000010000000000000000000000000	31-01-110435
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_4894140,CoCoCo_899944,PC-id_1290955	393.497	HVJCWEROXIZCJI-CHWSQXEVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110436
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_4894141,CoCoCo_899942,PC-id_1290954	393.497	HVJCWEROXIZCJI-QWHCGFSZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110437
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCC2	CoCoCo_683352,PC-id_1358503,ZINC22_5020830	393.497	FLTXXOCJBMXERF-STQMWFEESA-N	00000000100010000100000000000010000000000000000000000000	31-01-110438
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCC2	PC-id_1358500,CoCoCo_683351,ZINC22_5020832	393.497	FLTXXOCJBMXERF-QWHCGFSZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110439
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCC2	PC-id_2163535,ZINC22_2737405,CoCoCo_683353	393.497	FLTXXOCJBMXERF-OLZOCXBDSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110440
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_5020831,CoCoCo_683350,PC-id_1358501	393.497	FLTXXOCJBMXERF-CHWSQXEVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110441
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C1CCCCC1)C(=O)OC	PC-id_4012538	393.497	XGJPRILSWQJLLU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110442
s1c2CCCCCCc2cc1C(=O)OCC(=O)N1CCC(CC1)C(=O)OC	PC-id_55309967	393.497	FNRNOKGENUXTSV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110443
O=C(CSCC(=O)Nc1nc2c(s1)CCCCC2)Nc1ccc(F)cc1	PC-id_30217086,MCULE-9864611356,EMOLS-id_31369663,ZINC22_22326014	393.499	HJQPJZTUPJMPCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110444
CCCn1c(=NC#N)n(c2c1CC=CC(=C2)F)C(c1ccccc1)CCN(C)C	PC-id_143435871	393.5	AVUWZIAPOGWMRR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-110445
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)C)C(=O)OC	PC-id_2697584	393.5	ZADYAOIJRVBSMG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110446
s1c2CCCCCc2c(c1NC(=O)CN(CCOC)CC(=O)OCC)C#N	PC-id_47825270	393.5	VIAIFNHKARLTEE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110447
s1c2c(CCCCC2)c(c1NC(=O)CN(CC(=O)NC1CC1)C)C(=O)OC	PC-id_9053094	393.5	PYWOYRLBOVRIFJ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-110448
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCC(=O)N1CCOCC1	PC-id_9441682	393.5	LJOLOIDRUPIYKQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110449
C=NC/C=C(N(C1=c2ccn(c2=CC#CC1)CC)CS)/c1ccc(cc1O)O	PC-id_143412193	393.502	UHTBETJPTBFOOB-FBHDLOMBSA-N	00000000100000110110000000000010000000000000000000000000	31-01-110450
N#Cc1c(NC(=O)c2ccc3c(c2)CCN3C(=O)C)sc2c1CCCCCC2	EMOLS-id_110431632	393.502	FSMXSTVGERNTKJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110451
O(c1cc(C[NH+]2CCn3c(nnc3CCc3ccccc3)CC2)ccc1O)CC	PC-id_42430192	393.502	SSEWOKYLQLVQBH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-110452
O(c1cc(C[NH+]2CCn3c(nnc3CCc3ccccc3)CC2)ccc1OC)C	PC-id_42500123	393.502	WCKBWTWMGHWIDJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-110453
Oc1c(C[NH+]2CCn3c(nnc3CCc3ccccc3)CC2)cccc1OCC	PC-id_42238804	393.502	QAPXBJAGYQKTRR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-110454
O(c1c(C[NH+]2CCn3c(nnc3CCc3ccccc3)CC2)ccc(OC)c1)C	PC-id_42330787	393.502	AONKNHFKVKEFAT-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-110455
O=C(Nc1cccc(Cn2cccnc2=O)c1)c1cc2c(s1)CCCCCC2	MCULE-2099192316,EMOLS-id_44534685,PC-id_71892765,ZINC22_84374459	393.502	FTWJVLQROALZSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110456
s1c2CCCCCc2nc1NC(=O)c1c(=O)n(Cc2cc(ccc2)C)ccc1	PC-id_56101923	393.502	PXESLDWMJOPRNI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110457
s1c2CCCCCCc2cc1C(=O)Nc1ncccc1OCc1ccncc1	PC-id_56484244	393.502	ILGMXZCDGNYMON-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-110458
s1c2CCCCCCc2nc1NC(=O)C1C=CC(=NC1=O)c1cc(ccc1)C	PC-id_76294572	393.502	CCOQKSOCVMITTM-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-110459
s1c2CCCCCCc2nc1NC(=O)c1c(=O)n(Cc2ccccc2)ccc1	PC-id_56107948	393.502	BSXOVUGPROUBFQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110460
s1c2CCCCCCc2nc1NC(=O)c1c(=O)[nH]c(c2cc(ccc2)C)cc1	PC-id_56021858	393.502	QYFQCLQRQSOPRO-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-110461
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccccc3O)CCn12	MCULE-4942185390,EMOLS-id_20503179,PC-id_45194271	393.504	HAPZIOYHZYVAAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110462
c1(nnc2CCCCCn12)C(=O)N1CCOCC1CC(=O)N1CCSCC1	MCULE-4955598320,EMOLS-id_43130381,PC-id_56900099	393.504	UIPNIAZADQSJFC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110463
Cc1nn(c(c1CNC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C)C)C	EMOLS-id_323881205,PC-id_138391908	393.504	QCEOHOMWOCLOSE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-110464
CC(C(c1nnc2n1CCN(CC2)C/C=C/c1ccco1)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL94679700	393.504	TUGIATZZGHGYKJ-GQCTYLIASA-N	00000000101000000101000000000010000000000000000000000000	31-01-110465
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccccc1O)CC2	CoCoCo_1275971,ZINC22_12212774,CoCoCo_1275972,PC-id_42468157	393.504	HAPZIOYHZYVAAU-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110466
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccccc1O)CC2	CoCoCo_1275974,ZINC22_12212777,CoCoCo_1275973,PC-id_42468159	393.504	HAPZIOYHZYVAAU-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110467
CC([C@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)O)NS(=O)(=O)C)C	CoCoCo_1353264,CoCoCo_1353263,PC-id_42483072	393.504	BSYJQZTXGPGCPQ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110468
CC([C@@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)O)NS(=O)(=O)C)C	CoCoCo_1353265,PC-id_42483074,CoCoCo_1353266	393.504	BSYJQZTXGPGCPQ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110469
CCn1cc(CN(C)C(=O)c2ccc3CN(CCCn23)S(=O)(=O)C)c(C)n1	EMOLS-id_317417309,MCULE-3589229395	393.504	QUYAICBBAKNFRG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110470
CCN(Cc1cnn(C)c1C)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	MCULE-1028246023,EMOLS-id_317416541	393.504	DTBGJWXXDQKVLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110471
COc1cc(C)ccc1S(=O)(=O)NC(C(C)C)c1nnc2CCNCCn12	MCULE-3373361863,EMOLS-id_36450021,PC-id_56714896	393.504	ATRSJYOOUMMHJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110472
COc1cc(C)ccc1S(=O)(=O)N[C@@H](c1nnc2n1CCNCC2)C(C)C	PC-id_95209044,ZINC22_67758949	393.504	ATRSJYOOUMMHJT-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110473
COc1cc(C)ccc1S(=O)(=O)N[C@H](c1nnc2n1CCNCC2)C(C)C	PC-id_95209045,ZINC22_67758952	393.504	ATRSJYOOUMMHJT-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110474
O=C(C[C@@H]1COCCN1C(=O)c1nnc2n1CCCCC2)N1CCSCC1	PC-id_95873424,ZINC22_72432394	393.504	UIPNIAZADQSJFC-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110475
O=C(C[C@H]1COCCN1C(=O)c1nnc2n1CCCCC2)N1CCSCC1	ZINC22_72432392,PC-id_95873422	393.504	UIPNIAZADQSJFC-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110476
S(=O)(=O)(NC(c1n2CCN(CCc2nn1)Cc1ccc(O)cc1)C(C)C)C	PC-id_45206389	393.504	BSYJQZTXGPGCPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110477
c1ccc(cc1)c1noc(c1)C[NH+]1CCN(CC1)Cc1nnc2n1CCCCC2	GD-id_ZINC42597004	393.505	ANKOEHDYWSKWLA-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-110478
COc1ccc(cc1)C1=CS/C(=C(c2nnc3n2CCCCC3)/C#N)/N1CC	CoCoCo_3731169,PC-id_7740641	393.505	FLJFXNGJSXFXGU-FXBPSFAMSA-N	00000011100000110101100000000010000000000000000000000000	31-01-110479
COc1ccc(cc1)C1=CS/C(=C(/c2nnc3n2CCCCC3)C#N)/N1CC	CoCoCo_3731170,PC-id_2316661	393.505	FLJFXNGJSXFXGU-HEHNFIMWSA-N	00000011100000110101100000000010000000000000000000000000	31-01-110480
COc1ccc(cc1)C1=CSC(=C(c2nnc3n2CCCCC3)C#N)N1CC	PC-id_4447623,MCULE-6109889394	393.505	FLJFXNGJSXFXGU-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-110481
c1(sc2c(CCCCC2)c1C(=O)OC(C)C)NS(=O)(=O)c1ccccc1	PC-id_1221218,EMOLS-id_1095654,ZINC22_996503,TIMTEC606928,CoCoCo_5817042,SPECS-id_AK-968/12117196,MCULE-1972118025	393.52	ZWYCJEUUBLABCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110482
CCC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CCOCC2)CCC(O)(C)C	SCHEMBL13292529,PC-id_70877593	393.52	MJIMAQOLZGAGLV-GOSISDBHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110483
CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc3c(s2)CCCCCC3)c1	EMOLS-id_24024789,ZINC22_24152857,MCULE-7457314116,PC-id_31618299,CoCoCo_3872754	393.52	MSNSDOLPVHPHPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110484
COCCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)C(=O)OC(C)(C)C)CC	PC-id_145511801	393.52	JZFIGHHLRRKVSL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110485
O1CCn2c(c(nc2CCC(O)(C)C)C(=O)NC(C(C)(C)C)C(=O)CC)CC1	PC-id_77943458	393.52	MJIMAQOLZGAGLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110486
s1c2c(CCCCC2)c(c1NC(=O)C(SCc1occc1)C)C(=O)OC	PC-id_24053695	393.52	BZICEKPOKCPNCT-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-110487
s1c2c(CCCCC2)c(c1NC(=O)CSCc1occc1)C(=O)OCC	PC-id_23852321	393.52	BNCJZVOKNGBLBR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-110488
Cn1ccc2c1C(=O)N(CCCCN1CCC(CC1)c1ccccc1)CCC2=O	PC-id_20083206,SCHEMBL6989349	393.522	OEAOMAFKMBUXME-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-110489
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCC(CC1)c1ccccc1)cc2	PC-id_10715595,SCHEMBL9039006	393.522	KHKPRIQDVUSROW-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-110490
COc1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN(C)C)CCCCC3)/C(=O)N2	SCHEMBL6698176,PC-id_10023510	393.522	MVCJDGATQCSKPN-HKWRFOASSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110491
COc1ccc2c(c1)NC(=O)/C/2=Cc1[nH]c2c(c1CCCN(C)C)CCCCC2	PC-id_10453199,SCHEMBL6701473	393.522	FEOZWBGKSJQNBA-HKWRFOASSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110492
O=C1Nc2c(C1=Cc1[nH]c3c(CCCCC3)c1CCCN(C)C)ccc(OC)c2	PC-id_85147160	393.522	FEOZWBGKSJQNBA-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110493
O=C1Nc2c(C1=Cc1[nH]c3c(CCCCC3)c1CCCN(C)C)cc(OC)cc2	PC-id_85095489	393.522	MVCJDGATQCSKPN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110494
C1CCCn2c(CC1)nnc2C(c1ccccc1)(c1ccccc1)c1ccccc1	SCHEMBL4540694,PC-id_10023512	393.523	UJRJNABBQSOMAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110495
c1(NC(=O)CSc2nccn2C)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_1713815,MCULE-6337790072,SPECS-id_AG-205/13866020,PC-id_3967188,TIMTEC441837,ZINC22_2475759,EMOLS-id_5034441	393.524	SARJQOUQQUWSEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110496
Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1nc2c(s1)CCCCC2	MCULE-4142392181,ZINC22_12783715,CoCoCo_4546175,EMOLS-id_16760388,PC-id_17528686	393.524	DODOFNUFKSSCCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110497
CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(s2)CCCCC3)cc1	EMOLS-id_17161455,MCULE-9114362853,ZINC22_12758877,CoCoCo_4564204,PC-id_24232585	393.524	LFVWERFHMANHKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110498
CNS(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CCCCC3)cc(C)c1C	PC-id_17520128,ZINC22_12828761,CoCoCo_4564205,MCULE-6424815948,EMOLS-id_16734364	393.524	GXZVNSRXRYGDPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110499
CO[C@]1(C)C[C@@H](C)CN(C)C(=O)Cn2nnc(CNC(=O)[C@@H](C[C@@H](C1)C)C)c2	SCHEMBL19607094	393.524	DFCMTPZQCCKODQ-ROYATCLZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110500
COCCCc1nc(c2n1CCCN(C2)C)C(=O)NC(C(C)(C)C)C(=O)NC	PC-id_66932332,SCHEMBL1175772	393.524	CPZAKXPICOAGLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110501
COCCCc1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	SCHEMBL1175767,PC-id_57635269	393.524	CPZAKXPICOAGLA-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110502
NCCNS(=O)(=O)c1cccc(c1)NC(=O)c1cc2c(s1)CCCCC2	MCULE-6656977137,EMOLS-id_301576404,PC-id_119465433	393.524	SLHXNRAETZMBTC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110503
O1C(CCC1)COCC(O)CN1CCN(CC1)Cc1n2CCCCCc2nn1	PC-id_47035028,MCULE-4726343821,EMOLS-id_31953733	393.524	QZXAQHCFYSXRBS-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-110504
O1C(CN(CC2CC2)C)C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C	PC-id_75036351	393.524	NPMJKGCGPMGDEL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110505
O1C(CN(CC2CC2)C)C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C	PC-id_75036198	393.524	BJEAXWIUXBEVDX-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110506
O1[C@@H](CN(CC2CC2)C)[C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C	PC-id_44505485	393.524	NPMJKGCGPMGDEL-FCEWJHQRSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110507
O1[C@@H](CN(CC2CC2)C)[C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C	PC-id_54631276	393.524	NPMJKGCGPMGDEL-GJYPPUQNSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110508
O1[C@H](CN(CC2CC2)C)[C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C	CHEBI:96530,PC-id_44505056	393.524	BJEAXWIUXBEVDX-FRQCXROJSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110509
O1[C@H](CN(CC2CC2)C)[C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C	PC-id_44505251	393.524	BJEAXWIUXBEVDX-GPMSIDNRSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110510
O1[C@@H](CN(CC2CC2)C)[C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C	PC-id_44505481	393.524	BJEAXWIUXBEVDX-BXWFABGCSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110511
O1[C@@H](CN(CC2CC2)C)[C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C	PC-id_44505483	393.524	BJEAXWIUXBEVDX-GJYPPUQNSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110512
O1[C@H](CN(CC2CC2)C)[C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C	PC-id_44505486	393.524	BJEAXWIUXBEVDX-TXPKVOOTSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110513
O1[C@@H](CN(CC2CC2)C)[C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C	PC-id_44505493	393.524	BJEAXWIUXBEVDX-FCEWJHQRSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110514
O1[C@H](CN(CC2CC2)C)[C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C	PC-id_44505654	393.524	BJEAXWIUXBEVDX-JTDSTZFVSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110515
O1[C@@H](CN(CC2CC2)C)[C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C	PC-id_44506080	393.524	BJEAXWIUXBEVDX-MDZRGWNJSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110516
OCCCCc1nc(c2n1CCCN(C2)C)C(=O)NC(C(C)(C)C)C(=O)NC	PC-id_66932077,SCHEMBL1175067	393.524	LYDWWIFRZDBLSU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110517
OCC/C=C/c1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(NC)O	PC-id_70998586,SCHEMBL13811801	393.524	KCANMMLFKWCDQW-WCANUUAISA-N	00000000100000000101000000000010000000000000000000000000	31-01-110518
OCCCCc1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	SCHEMBL1175063,PC-id_57635331	393.524	LYDWWIFRZDBLSU-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110519
O[C@H](COC[C@@H]1CCCO1)CN1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_52501820,ZINC22_58158713	393.524	QZXAQHCFYSXRBS-ROUUACIJSA-N	00000010100010000101000000000010000000000000000000000000	31-01-110520
O[C@@H](COC[C@@H]1CCCO1)CN1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_52501821,ZINC22_58158714	393.524	QZXAQHCFYSXRBS-MSOLQXFVSA-N	00000010100010000101000000000010000000000000000000000000	31-01-110521
O[C@H](COC[C@H]1CCCO1)CN1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_52501822,ZINC22_58158715	393.524	QZXAQHCFYSXRBS-ZWKOTPCHSA-N	00000010100010000101000000000010000000000000000000000000	31-01-110522
O[C@@H](COC[C@H]1CCCO1)CN1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_52501823,ZINC22_58158716	393.524	QZXAQHCFYSXRBS-QZTJIDSGSA-N	00000010100010000101000000000010000000000000000000000000	31-01-110523
OC(NC)C(NC(=O)c1nc(n2c1CN(CCC2)C)C=CCCO)C(C)(C)C	PC-id_77966850	393.524	KCANMMLFKWCDQW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110524
s1c2CCCCCc2cc1C(=O)Nc1c(N(C)C)ccc(S(=O)(=O)N)c1	PC-id_9302578	393.524	BLGICMALADBNRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110525
s1c2CCCCCc2cc1C(=O)NNC(=O)CSCc1c(onc1C)C	PC-id_43004216	393.524	YWPSZXSXLUXARR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110526
s1c2c(CCCCC2)c(c1NC(=O)CCSc1n(ccn1)C)C(=O)OC	PC-id_24084296	393.524	GLQYNIFJCLXPKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110527
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1n(ccn1)C)C)C(=O)OC	PC-id_23772400	393.524	PJYZPOXZRAFZGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110528
s1c2CCCCCc2nc1NC(=O)c1ccc(CCNS(=O)(=O)C)cc1	PC-id_30217116	393.524	ZBPPXNWZOOMKFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110529
s1c2CCCCCc2nc1NC(=O)c1cc(NS(=O)(=O)CCC)ccc1	PC-id_36816084	393.524	CZNXSGOPWIDTLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110530
s1c2CCCCCc2nc1NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1	PC-id_29859547	393.524	XUVYEZMSLMWJFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110531
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCn1c(csc1=O)C	PC-id_26287334	393.524	IJPDCPTXJVNCOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110532
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(ccn1)C)C(=O)OC	PC-id_19727774	393.524	PCWXFSNXAXAGDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110533
s1c2c(CCCCCC2)c(c1NC(=S)Nc1noc(c1)C)C(=O)OCC	PC-id_17300328	393.524	WWMJLBVNXRKBMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110534
s1c2CCCCCCc2nc1NC(=O)c1ccc(S(=O)(=O)NCC)cc1	PC-id_56021847	393.524	KEPCYZHCJFISNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110535
s1c2CCCCCCc2nc1NC(=O)c1cc(S(=O)(=O)NCC)ccc1	PC-id_56035986	393.524	HCHHRPFYSPKYKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110536
s1c2CCCCCCc2nc1NC(=O)c1c(NS(=O)(=O)CC)cccc1	PC-id_56571551	393.524	YFFVLWZKIOLTKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110537
s1c2CCCCCCc2nc1NC(=O)CCNS(=O)(=O)c1ccccc1	PC-id_60571951	393.524	DPGSGKHZELXJLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110538
s1c2CCCCCCc2nc1NC(=O)[C@@H](NS(=O)(=O)c1ccccc1)C	PC-id_56022360	393.524	GJBMDHRVHUYGPB-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110539
s1c2CCCCCCc2nc1NC(=O)C(NS(=O)(=O)c1ccccc1)C	PC-id_76294599	393.524	GJBMDHRVHUYGPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110540
c1(C(C(C)C)NC(=O)c2c3CCCCCc3[nH]n2)n(C(C)C)c2c(cccc2)n1	MCULE-9398791947,EMOLS-id_323253692	393.525	GUGJMPOATRBHAA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110541
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C/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)CCNC(=O)C1CCC1	CoCoCo_1592364,CoCoCo_1592366	393.525	NOPJUSAUZFWFBD-VLGSPTGOSA-N	00001000100000110101000000000010000000000000000000000000	31-01-110543
C/C(=Cc1ccccc1)/CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1	ZINC22_14993230,CoCoCo_1592367,PC-id_26348420,ChEMBL-DNDi_CHEMBL86175670,CoCoCo_1592365,EMOLS-id_44854821	393.525	NOPJUSAUZFWFBD-FBMGVBCBSA-N	00001000100000110101000000000010000000000000000000000000	31-01-110544
n12CCN(CCc1nnc2CCNC(=O)C1CCC1)CC(=Cc1ccccc1)C	PC-id_74499182,MCULE-6038100351	393.525	NOPJUSAUZFWFBD-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-110545
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O=C(N(C1CC2CCC(C1)N2Cc1nnc2n1CCCCC2)C)c1ccccc1	EMOLS-id_98954131	393.525	KMUUISMUUFMKNF-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-110547
O=C(NC1CCCC(C1)Cc1nc2c([nH]1)C=CCC=C2)CCn1nc(cc1C)C	PC-id_143699914	393.525	VUEZFBXMVYOWFB-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-110548
CCNC(=NCc1nnc2n1CCCCC2)NCC(CN1CCOCC1)(O)C	PC-id_111658422	393.527	MTMVEOOHHXWKIV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110549
CCNC(=NCc1nnc2n1CCCCC2)NCCCNC(=O)OC(C)(C)C	PC-id_111886439	393.527	RCMXCEXELMAIDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110550
CCNC(=NCCc1nnc2n1CCCCC2)NCCNC(=O)OC(C)(C)C	PC-id_111883667	393.527	PIJXDJWMVXLLIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110551
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CN=C(NCC(NC(=O)OC(C)(C)C)(C)C)NCc1nnc2n1CCCCC2	PC-id_109551206	393.527	JYUJNLQEEQIDBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110553
CN=C(NCCNC(=O)OC(C)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111884141	393.527	IIGGLOYFZDXQQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110554
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1c(n[nH]c1=S)CCC	PC-id_24554123	393.527	IJWBPBXBRYPDER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110555
s1c2CCCCCCc2c(c1NC(=O)CSC1NC(N)CC(=O)N1)C#N	PC-id_78263510	393.527	NYVMKPMJWJSTOQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110556
CCNC(=NCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1ccc(c2)C	PC-id_111974100	393.528	AIVPIZGFJNJSHK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-110557
CCNC(=NCc1nnc2n1CCCCC2)NCCCn1ccc2c1cccc2	PC-id_111341325	393.528	ZPDMQUVTDRTUJH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-110558
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1cccc2	PC-id_110997241	393.528	UJEAGNYNSWXXON-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-110559
CN=C(NCCc1c[nH]c2c1cccc2)NCCCc1nnc2n1CCCCC2	PC-id_110996283	393.528	DNVGKXGCEPTIRW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-110560
CN=C(NCCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1ccc(c2)C	PC-id_111974277	393.528	ARCVSTKLQQZOCZ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-110561
CN=C(NCCc1nnc2n1CCCCC2)NCCCn1ccc2c1cccc2	PC-id_111341389	393.528	HWMCMZRHHLXRNV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-110562
Nc1nsc(n1)N1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111890201	393.53	ULHVPXKMBKJFAW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-110563
CC(c1ccc(c2-c(c1)c(C)cc2/C(=CNS(=O)(=O)C)/c1ccccc1)C)C	PC-id_102367281	393.542	UWKSEIBONLICMC-HAHDFKILSA-N	00000010100000110110000000000010000000000000000000000000	31-01-110564
c1(NC(=O)CN2CCN(CC2)CC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-8722969499,PC-id_6465530,ZINC22_20608815,EMOLS-id_2544848,CoCoCo_1044325,TIMTEC284011,ChEMBL-DNDi_CHEMBL9044753,CoCoCo_1044326	393.543	LGKRKIHLEQGNTI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110565
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CCOC(=O)c1c2c(CCCCC2)sc1NC(=O)CCN1CCN(C)CC1	CoCoCo_3780160,PC-id_1536829,ZINC22_21548823,MCULE-4155735166,CoCoCo_3780159	393.543	UENGXUDSOSBREK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110567
COCCCNC(=O)CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	ZINC22_35361669,PC-id_16360854,CoCoCo_4200411,EMOLS-id_3700445,MCULE-3558971786	393.543	UOWSGDRJDNJUMY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110568
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s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)CCC)C(=O)OC	PC-id_22196949	393.543	HTCOXIMPRHMSPB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110570
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](Cc1ccsc1)C)C(=O)OC	PC-id_9054596	393.543	NMOJPQXCFPCPNB-UHFFFAOYSA-O	00000000100100000100000000000010000000000000000000000000	31-01-110571
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](Cc1sccc1)C)C(=O)OC	PC-id_8966072	393.543	UVYZZUQXYIJMLX-UHFFFAOYSA-O	00000000100100000100000000000010000000000000000000000000	31-01-110572
s1c2CCCCCc2nc1NC(=O)CC1CCN(CC1)C(=O)OC(C)(C)C	PC-id_56153290	393.543	TUWDHBOGAHGOFZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110573
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCCC(=O)N(CC)CC	PC-id_56385387	393.543	BKYCEZFKLUBWRM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110574
s1c2c(CCCCC2)c(c1NC(=O)CCN1C(CCC1)c1ccccc1)C#N	PC-id_55499106	393.545	JNEMQZAFLDKOGO-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-110575
s1c2c(CCCCCC2)cc1C(=O)N1CCCN(CC1)c1ccc(cc1)C#N	PC-id_55715815	393.545	NVFXBKQCDISBJW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110576
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)Cc1ccc(cc1)C#N	PC-id_43003142	393.545	BSCOBSYKESPHHM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110577
CC(NC(=O)CN1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_101066668	393.547	UGNKSTAQIOCCKU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110578
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CCOC(=O)c1cn(c2c1C(=CCCC2)O[Si](C)(C)C)C(=O)OC(C)(C)C	PC-id_20762225,SCHEMBL6305834	393.549	VSGIVNVWGOJVJG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-110580
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CNc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1	ZINC22_8175165,CoCoCo_4183268,PC-id_9308591	393.55	BDFZGOJXLTYDPE-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-110583
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CCCCC1CCCCCCc2cc1c([nH]2)C=C1NC(C=C1OC)c1ccc[nH]1	PC-id_68823140,SCHEMBL3875718	393.565	JTTUMZRBFUOZHV-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-110586
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s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCCC)C(=O)OCC	PC-id_5220848	393.583	GMDUSQIJJPFQMR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110603
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s1c2c(CCCCCC2)c(c1NC(=O)CCCCCCCCC)C(=O)OC	PC-id_4601817	393.583	BBHKODGTVPEVKS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110606
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COCCN1CCCCc2c1sc(c2)C(=O)NCC1CCN(C1)CC(C)C	EMOLS-id_97027935,MCULE-9043528879	393.586	WRWDNZCXIOBXPY-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-110608
CN1CCN(CC1)CCC(NC(=O)Nc1sc2c(n1)CCCCCC2)(C)C	EMOLS-id_101069242	393.59	BIHWLVRFMKVFHQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110609
s1c2CCCCCc2c(c1NC(=O)CCSC(=S)N1CCCC1)C#N	PC-id_8779368	393.59	DSWUEOCINMJANG-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-110610
Clc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101945907	393.812	UQEYWZUSZRIOJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110611
Clc1ccc(c(c1)C(F)(F)F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101946039	393.812	IHSGXMXDYHGQTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110612
Clc1cc(cc(c1)C(F)(F)F)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950869	393.812	YSXLJSJFJAKIQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110613
Clc1ccc(cc1S(=O)(=O)N1CCCc2c(C1)cnn2C)C(F)(F)F	EMOLS-id_101945925	393.812	XOMULWVJXJLRFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110614
Clc1cc(ccc1S(=O)(=O)N1CCCc2c(C1)cnn2C)C(F)(F)F	EMOLS-id_101950740	393.812	FWHBBSXZYNKAMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110615
Clc1ccc(c(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C)C(F)(F)F	EMOLS-id_101950947	393.812	HOGBNUMQBZEGQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110616
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1c(Cl)cccc1C(F)(F)F	EMOLS-id_101948544	393.812	JRXVMGDYELAFKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110617
c12CN(CCCn1nc(CNC(=O)c1ccc(cc1Cl)F)c2)C(=O)N(C)C	PC-id_70735331,MCULE-3402452054,ZINC22_82108257,EMOLS-id_44434269	393.843	GLAWMOOOVPQPCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110618
c1(NC(=O)c2ccc(cc2Cl)N(=O)=O)sc2c(CCCCC2)c1C(=O)N	PC-id_4333122,TIMTEC372453,MCULE-7941396293,CoCoCo_6216607,EMOLS-id_1770300,ZINC22_4680839	393.845	PBGGNLQFOXFUHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110619
c1(NC(=O)c2ccc(cc2N(=O)=O)Cl)sc2c(CCCCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL5693703,PC-id_1358419,MCULE-3318950671,ZINC22_1200019,EMOLS-id_2095153,CoCoCo_683137,TIMTEC47272	393.845	ALLSZWCFPHPUQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110620
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCCCC2)c1C(=O)N	PC-id_1290102,CoCoCo_898234,ZINC22_1111787,MCULE-8138866261,EMOLS-id_1770538,ChEMBL-DNDi_CHEMBL7239275,TIMTEC348911	393.845	OAXMCSWETSODRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110621
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)sc2c(CCCCC2)c1C(=O)N	CoCoCo_895432,PC-id_2930762,EMOLS-id_2439827,MCULE-3945540618,ChEMBL-DNDi_CHEMBL7223378,TIMTEC244132,ZINC22_4892119	393.845	JOENYIRDXSAOPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110622
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)N	MCULE-4856380726,TIMTEC176023,CoCoCo_683198,PC-id_1219656,ChEMBL-DNDi_CHEMBL5693991,EMOLS-id_1775156,ZINC22_994480	393.845	GQCUABMDEHUINS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110623
Clc1cc(C(=O)NNC(=O)c2sc3CCCCCc3c2)c([N+](=O)[O-])cc1	PC-id_9092549	393.845	ITCFFUYKPBRISO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110624
Clc1cc([N+](=O)[O-])c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_9301127	393.845	XPHVSJGKNALEFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110625
Clc1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)ccc([N+](=O)[O-])c1	PC-id_9092548	393.845	BFJSZTJTMGNLOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110626
Clc1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc([N+](=O)[O-])cc1	PC-id_9301119	393.845	QIODTHNGDQZSQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110627
Fc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102166939	393.846	HQLPAZCCJWVLMR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110628
O=C(NC1CCn2c(CC1)nnn2)NC1CCN(C1)c1ccc(c(c1)Cl)F	EMOLS-id_102166783	393.846	FZSRARCGBMJRGE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-110629
O=C(NC1CCn2c(CC1)nnn2)NC1CCN(C1)c1ccc(c(c1)F)Cl	EMOLS-id_102164857	393.846	QOROLEHFTBXNPR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-110630
c1(N(=O)=O)nn(c(C)c1Cl)CC(=O)Nc1sc2c(CCCCC2)c1C#N	STOCK2S-53491,CoCoCo_153836,SPECS-id_AK-968/12162168,ZINC22_845107,PC-id_1111091,TIMTEC277356,EMOLS-id_1293927,MCULE-7454981970,BAS-00924118	393.848	KYZHLSBJOAVKSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110631
Clc1ccccc1c1nnc(o1)CS(=O)(=O)c1nnc2n1CCCCC2	MCULE-1831950894	393.848	WYIQZRRBNUZTPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110632
O=S(=O)(Cc1noc(c2ccc(Cl)cc2)n1)c1nnc2n1CCCCC2	ZINC22_125323940,MCULE-9612280555,EMOLS-id_189708176	393.848	KGJKDLPBXPKUBO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110633
COc1cc(CNCc2nnc3n2CCCCC3)cc(c1OCC(=O)N)Cl	MCULE-1890811736,PC-id_119163927,EMOLS-id_50976942	393.868	BKZZDTQHPOHISI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110634
c1(NC(=O)COc2ccccc2Cl)sc2c(CCCCC2)c1C(=O)OC	PC-id_1008953,ZINC22_668746,SPECS-id_AK-968/12571040,MCULE-7109317062,EMOLS-id_2195296,TIMTEC101876,CoCoCo_3037533,TOSLab_8552	393.884	CLHFBTRZJCYGFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110635
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)OC	TIMTEC406442,MCULE-8056556711,CoCoCo_684789,ZINC22_2081803,PC-id_1741088,EMOLS-id_1094454	393.884	QNBQCNOIZCJYDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110636
CCOC(=O)c1cc2c(s1)CCN(CC2)C(=O)c1cc(Cl)ccc1OC	SCHEMBL11182924,PC-id_13072051	393.884	OHOADYQRUFIOEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110637
CCOC(=O)c1sc2c(c1)CN(CCC2)C(=O)c1cc(Cl)ccc1OC	SCHEMBL11179662,PC-id_20481317	393.884	VWXXDKKXKREYFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110638
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(OC)cc1	PC-id_4197180	393.884	VXNZZBPBKQUHST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110639
Clc1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc1OC	PC-id_16509463	393.884	VEUGEAHJYPBNOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110640
Clc1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)c(OC)cc1	PC-id_7352139	393.884	XTVCFZALIPEMNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110641
O=c1n(CN2CCN(Cc3c(F)cccc3Cl)CC2)nc2n1CCCCC2	MCULE-1146293319,ZINC22_23254228,PC-id_17471983,CoCoCo_4550647,CoCoCo_4550648,EMOLS-id_13545234	393.886	RWKRIHQSWFWPHQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110642
c1(NC(=O)CCC(=O)Nc2c(O)ccc(Cl)c2)sc2c(CCCCC2)n1	MCULE-7172615711,EMOLS-id_334963888	393.888	UCSJYMDDODNCOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110643
Clc1c(nc(OCC)cc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_60572681	393.888	CCUCXHLGGXXFOL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-110644
COc1ccc(Cl)c(c1)C(=O)N1CCc2nc(sc2CC1)C(=O)N(C)C	EMOLS-id_313790771,ZINC22_1565551872	393.888	WUWOCBMYPVOCCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110645
c1(NC(=S)NC(=O)c2c(Cl)cnn2C)sc2c(CCCCC2)c1C#N	SPECS-id_AK-968/40220051,CHEMBL1321604,TIMTEC198204,CoCoCo_129035,ZINC22_4646663,BAS-00756918,PC-id_3117879,EMOLS-id_1272253,MCULE-6783814985,ChEMBL-DNDi_CHEMBL1321604	393.914	HPDDYDMQLYNVFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110646
c1(NC(=S)NC(=O)c2nn(cc2Cl)C)sc2c(CCCCC2)c1C#N	TIMTEC253180,BAS-00757005,PC-id_1105449,EMOLS-id_1272275,CHEMBL1381054,MCULE-9989803588,CoCoCo_129048,ChEMBL-DNDi_CHEMBL1381054,ZINC22_832655	393.914	JYDNBCPJVQPHFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110647
CCc1cc2n(c1C(=O)c1scc(c1)Cl)CCCCC2C(=O)OC(C)C	PC-id_20483913,SCHEMBL11195715	393.927	JGOCVYWKEREPPJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-110648
Clc1c(nc(N(CC)CC)nc1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56124286	393.934	NXXZSRDFNXNSAG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-110649
Clc1c(ccc(NC(=S)NNC(=O)c2sc3CCCCCc3c2)c1)C	PC-id_8726790	393.954	NSOJKJZLSWQUEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110650
Clc1ccc(NC(=S)NNC(=O)c2sc3CCCCCCc3c2)cc1	PC-id_8788562	393.954	CBPGSEBWZVZLDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110651
CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(Cl)s1	CoCoCo_3687501,PC-id_17427393,EMOLS-id_48957182,ZINC22_8749881,MCULE-7247159755,CoCoCo_3687502	393.954	PYQKKEJGXYLCBH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-110652
CC(C)[C@H]1C=Cc2c(n(cc2S(=N)N1)C)C(=O)Nc1cc(c(cc1)F)Cl	PC-id_163908199	394.103	QPUNDDMLNSZACN-GJNAARLKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-110653
CC1=C(C=CC=C1C(=O)O)CC2=C(C(=C3C2=CC=CC=C3)C(=O)C4=CC=CC=C4)C	PC-id_154280694	394.157	ZLQHOYXREYGTKA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-110654
CC(C)N1C2=C(CC(=O)[C@H](CO2)NC(=O)C3=NN(C=N3)CC4=CC=CC=C4)C=N1	PC-id_161310917	394.175	VIWLDQFVVQEJBX-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110655
Cc1c(cc(cc1)Cc1cc2-c(ccccc2)c1)[C@H]1[C@@H]([C@H]([C@@H](C(O1)CO)O)O)O	PC-id_163821003	394.178	NVKKYJFLTDRUSH-IWINVMIISA-N	00000010100010110110100000000010000000000000000000000000	31-01-110656
Brc1c2sc(CCCCCCCCCCC2)c1Br	PC-id_10500809	394.208	HQUJQSPRIJWAJF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110657
Brc1ccc2-c(c(c(NC=O)c2C(=O)OCC)C(=O)OCC)cc1	PC-id_86230129	394.217	DGPNSIFMVOIXRV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-110658
Brc1cnc2cc(nn2c1)C(=O)N1CCc2[nH]c(=O)sc2CC1	SCHEMBL15282677,BindingDB_PC-id_71748063,TT-id_D0A7NX,PC-id_71748063,BindingDB-id_300537	394.246	NFUGEPSHTBCNFR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110659
Brc1cc(oc1)C(=O)c1n2c(C(CCCC2)C(=O)OC(C)C)cc1	SCHEMBL11206810,PC-id_20483953	394.26	SFGBGGGYACODAG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-110660
Brc1oc(C(=O)c2n3c(C(CCCC3)C(=O)OC(C)C)cc2)cc1	PC-id_20484029,SCHEMBL11200952	394.26	JAIUGKVAZCKCLL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-110661
c1(C(=O)Nc2c(OC)cc(c(OC)c2)Br)c2CCCCCc2[nH]n1	MCULE-1442795269,EMOLS-id_335120541	394.263	ZAUNICAAXVFFMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110662
C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCc4oc(Br)cc4C3)n[nH]c12	EMOLS-id_323970770,ZINC22_1857531499,PC-id_146111513,MCULE-5665353875	394.263	HIHIUXGILSARGK-ZJUUUORDSA-N	00000000100010000101000000010010000000000000000000000000	31-01-110663
COc1cc(Br)c(NC(=O)c2n[nH]c3CCCCCc23)cc1OC	EMOLS-id_335137944,MCULE-9652755347	394.263	IVPJPNNXZJISEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110664
Cc1cc(CNC(=O)NCc2nnc3n2CCOCC3)ccc1Br	ZINC22_1615590218,MCULE-3141140180,EMOLS-id_320320715	394.266	KEZCPAQZWZKTJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110665
CN(C(=O)c1cc(Br)c(nc1O)C)Cc1nnc2n1CCCCC2	EMOLS-id_318232569	394.266	GVSNZEFQLSSTTC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-110666
Brc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cnc1	PC-id_52894702	394.286	DAWWPDKKMWZGTD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-110667
Brc1cc(C(=O)NNC(=O)c2sc3CCCCCc3c2)cnc1	PC-id_9301189	394.286	IIJBFNZGQGNTHD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-110668
Ic1ccc(Cn2cc3C(NCC)CCCCc3c2)cc1	PC-id_83211158	394.293	PDKBPWXKSSXANO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110669
Clc1cc(NC(=O)Nc2sc3CCCCCCc3c2C#N)ccc1Cl	PC-id_4161746	394.318	YXPNBLOAZWOCNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110670
CC(C)c1ccc(C(=O)N2CCCc3sc(Br)cc3C2)c(O)c1	ZINC22_2325853154	394.326	FRLLGFKGYNEKHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110671
Fc1ccc(C(=O)NCCc2n3CCN(CCc3nn2)Cc2ncccc2)cc1	PC-id_29153009	394.445	OKRPUAGYVLQLIN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110750
c1(NC(=O)Nc2ccc(c(C)c2)Br)sc2c(CCCCCC2)n1	CoCoCo_2552442,EMOLS-id_16329904,PC-id_16028952,CHEMBL1603564,MCULE-2698850982	394.329	NNCVNXASKARDBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110672
Clc1ccc(c(c1)N1CCN(CC1)CCc1nnc2n1CCCCC2)Cl	PC-id_70539431,SCHEMBL11212702	394.341	BNNBVXPYFGDGAP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110673
CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1noc2c1CCCCC2	MCULE-2011860310,ZINC22_154324866,PC-id_99699067,EMOLS-id_50354059	394.369	PUKNZTVCUUILAZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-110674
FC(Oc1cc2OCOc2cc1CN(C(=O)C1CCn2c(CC1)nnc2)C)F	EMOLS-id_319002108	394.373	QTUXDAXICQGVFK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-110675
[O-]c1ccc(cc1)C(=c1c(=O)oc2=CC=CC=C[c-]12)c1c(=O)oc2-c1ccccc2	PC-id_101755327	394.376	NWYXPADFXBTTDB-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-110676
O=C1C=CC(=C(c2c(=O)oc3-c2ccccc3)c2c(=O)oc3-c2ccccc3)C=C1	PC-id_101753373	394.376	KEJOZPYLTFVJTE-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-110677
O1CCN(CCn2c1nc([N+](=O)[O-])c2)C(=O)c1ccc(Oc2ccccc2)cc1	SCHEMBL14965598,PC-id_71570887	394.381	JKZKAMKDQCKRKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110678
O=C(c1noc2c1CCCCC2)N1CCOC(C1)c1ccccc1C(F)(F)F	EMOLS-id_100148810	394.388	LMPFPDBYGCWOSA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110679
O=C(c1noc2c1CCCCC2)N1CCOC(C1)c1ccc(cc1)C(F)(F)F	EMOLS-id_100158225	394.388	KJNYUUHTPQYEOR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110680
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1ccc(NC(=O)C)cc1	PC-id_19527306	394.391	OUXQTZAXSRYQJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110681
N#Cc1c(F)ccc(c1F)NC(=O)c1n(C)cc2c1CC[C@@H](NS2(=O)=O)C	SCHEMBL18352804	394.396	LVWWHYVJOKPYIT-VIFPVBQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-110682
N#Cc1c(F)ccc(c1F)NC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C	PC-id_139471063,SCHEMBL21337059	394.396	LVWWHYVJOKPYIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110683
O=C(O)c1cc(CCn2cnc3c2NC=NCC3O)cc(c2ccc(F)cc2)c1	BindingDB_PC-id_10692007,PC-id_10692007,CHEMBL37296	394.399	AUOLPWSGNVUJJG-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-110684
CCOC(=O)c1nn2c(c1)CN(CCC2)S(=O)(=O)c1ccccc1[N+](=O)[O-]	SCHEMBL2520783,PC-id_58465583	394.402	NEDBQLQEYIUXJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110685
O=C(c1noc2c1CCCCC2)NS(=O)(=O)C1CCC(CC1)C(F)(F)F	EMOLS-id_112051352	394.409	SZWAWHBXHJNOIL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110686
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1c(OC)ccc(F)c1F	EMOLS-id_44437869,PC-id_70745476,MCULE-4942980723,ZINC22_82116296	394.416	NBVQSYLBMCRJAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110687
COCCn1nc2CCC(CC(=O)NCc3cc(F)ccc3F)CCn2c1=O	EMOLS-id_207877370,MCULE-4193049336	394.416	FNSMDTDGEFIPCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110688
CCOC(=O)c1c(COc2ccccc2)c(c2-c1ccc(cc2)O)C(=O)OCC	PC-id_139647526	394.417	VUQGGKKVALKTCM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-110689
COC(=O)c1cc(c2-c1ccccc2)C#Cc1cc(c2-c1ccccc2)C(=O)OC	PC-id_101134863	394.419	LDHQWEAYZRKKDL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-110690
COC(=O)c1ccc2-c(cc1)c(cc2C(=O)c1ccccc1)C(=O)c1ccccc1	PC-id_145990989	394.419	HFRXBXSJTFMMAL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-110691
N#Cc1[n-]c2c(c1)C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(c1)F	GD-id_ZINC45302234	394.419	NFMLARRUKGZFFI-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-110692
O(C(=O)c1c2-c(cc1C#Cc1c(c3-c(c1)ccccc3)C(=O)OC)ccccc2)C	PC-id_11784192	394.419	OHCOHCRKWMPIDM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-110693
CCc1c(C(=O)C(=O)N)c2=C(C=CCC=c2n1Cc1ccccc1)OCC(=O)O	PC-id_141952430	394.42	PPLGEKKMZXVVDM-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-110694
COc1ccc2c(c1)C(=Cc1[nH]c3c(c1CCC(=O)O)C(=O)CCCC3)C(=O)N2	PC-id_68790103,SCHEMBL3794374	394.42	YIJUTONPGBQCPR-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110695
COc1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(=O)O)C(=O)CCCC3)/C(=O)N2	SCHEMBL3794361,PC-id_46847748	394.42	YIJUTONPGBQCPR-PTNGSMBKSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110696
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccc(cc2)OC)C1	PC-id_137638424	394.424	HRNKRBZIORXWLW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110697
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2OC)C1	PC-id_137648600	394.424	ICNSKWDVPBXWSQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110698
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2cc(ccc2)OC)C1	PC-id_137658856	394.424	CENJLYHGNOJALZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110699
COc1cccc(c1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580425,SCHEMBL14966132	394.424	FQCGATDBINEWRG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110700
COc1ccc(cc1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14966106,PC-id_89580405	394.424	DZNJGKDHKYGYJQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110701
COc1ccc(cc1)Cc1nnc2n1CCN(CC2)C(=O)c1ccc(cc1O)O	SCHEMBL4159245,PC-id_57440439	394.424	KWHCMGYYDPDDFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110702
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2ccc(C)o2)CCC3)cc1	EMOLS-id_313762248,ZINC22_1565556346	394.424	RVENHBSPPQOFJL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110703
Cn1c2c(ccc(c2)S(=O)(=O)Nc2nc3c(s2)C(=O)NCCC3)oc1=O	PC-id_90625671	394.425	PXLVSCSUTNPJRX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110704
c1(C(=O)N2CCCn3c(cc(n3)C(=O)OC)C2)c(C)n(nn1)Cc1ccccc1	MCULE-6517302669,PC-id_50970218,EMOLS-id_32409952,ZINC22_65428740	394.427	XEBPCTWKPWTKTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110705
c1(C(=O)NCc2cc(on2)C)cn2c(CCN(C(=O)Cc3cccnc3)CC2)n1	ZINC22_1875245027,EMOLS-id_331129105,MCULE-3190543996	394.427	GYGFAJDRMGAKBY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-110706
COc1cccc(CC(=O)N2CCc3nnc(COc4cncnc4)n3CC2)c1	ZINC22_96084598,EMOLS-id_46182201,PC-id_97405421	394.427	XMWYMESXGKAASZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110707
O=C1[C@H](CCc2c(N1C)n(C)c(n2)C)NC(=O)c1nnc(o1)Cc1ccccc1	SCHEMBL19224469	394.427	RILHACVZBRNJSC-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110708
O=C1[C@H](CCc2c(N1C)nc(n2C)C)NC(=O)c1nnc(o1)Cc1ccccc1	SCHEMBL19224471	394.427	QECIBHJRZQYMKG-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110709
COc1ccccc1Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=N)C)ccn2	PC-id_145225321	394.43	MFQPQOXTKAMEPI-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110710
O=C1C(C=NC(=O)c2ncn(n2)CC2CC=CC=N2)CCn2c(N1C)cc(n2)C	PC-id_145225174	394.43	LWEAIBLVXPZRBP-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-110711
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)Cc1cccnc1C	SCHEMBL18367284	394.43	RECCLFSLUPSXPI-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-110712
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)Cc1ncccc1C	SCHEMBL18372944	394.43	GRDQMLZFPIZIGX-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-110713
CC1(C)Cc2n[nH]cc2CN(C(=O)NC[C@H](Cc2ccccc2)C(F)(F)F)C1	ZINC22_888101861	394.434	POLNGQOJPSQEOE-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110714
CC1(C)Cc2n[nH]cc2CN(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)C1	ZINC22_888101862	394.434	POLNGQOJPSQEOE-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110715
CC(C)N(C)Cc1ncn2c1CN(C(=O)c1cccc(C(F)(F)F)c1)CCC2	PC-id_97519329,EMOLS-id_44370036,ZINC22_96259245	394.434	NMHRRVONAPJASI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110716
CC(C)N(C)Cc1ncn2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CCC2	ZINC22_96259246,EMOLS-id_44370038,PC-id_97519330	394.434	VSRZACWQWXKYAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110717
FC(c1cccc(c1)C1(CCOCC1)NCc1nnc2n1CCCCC2)(F)F	EMOLS-id_318320175	394.434	KYLUFPGBFUILHK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110718
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)NCC(C(F)(F)F)Cc1ccccc1	EMOLS-id_316877549,MCULE-9376447686	394.434	POLNGQOJPSQEOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110719
Cc1ccccc1NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(O)(F)F	PC-id_137643134	394.436	GJXKUFXTCDRXBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110720
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(OC)c(OC(F)F)cc1	PC-id_78620882	394.436	YLUJBARVOXDKCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110721
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(OC(F)F)c(OC)cc1	PC-id_78620804	394.436	LLDBCSKMEZFHCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110722
s1c2CCCCCc2cc1C(=O)NN=Cc1c(OC(F)F)c(OC)ccc1	PC-id_78620794	394.436	BOOBPDNYBAYHOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110723
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1ccc(OC(F)F)cc1	PC-id_31846252	394.436	HHNDNRKDNYBDHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110724
s1c2c(CCCCC2)c(c1NC(=O)C(Oc1cc(F)c(F)cc1)C)C(=O)N	PC-id_56161467	394.436	PKPJYGKMYRSFLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110725
CCNC(=NCc1cccc(c1)C(F)(F)F)NCc1nnc2n1CCCCC2	PC-id_111267829	394.437	DUGQJECOJXIMJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110726
CCNC(=NCc1ccc(cc1)C(F)(F)F)NCc1nnc2n1CCCCC2	PC-id_111420285	394.437	BEJAHMRGNPUIKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110727
CN=C(N(Cc1ccc(cc1)C(F)(F)F)C)NCc1nnc2n1CCCCC2	PC-id_111299859	394.437	XVVGCZZTGOXECN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110728
CN=C(NCc1cccc(c1)C(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111267251	394.437	RPJFVVCJZFSBOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110729
CN=C(NCc1ccc(cc1)C(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111420363	394.437	CWRWOIJCCNOZLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110730
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccc(cc1)C(F)(F)F	PC-id_111295523	394.437	WMBXKGCYQUZGDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110731
Cc1cc(cc(c1)F)CN1CCc2c(CC1)oc(n2)C(=O)NCc1ccncc1	PC-id_134808613	394.442	BFWHYABLBPKHHF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110732
CC(c1ccc(c(c1)F)Oc1ccccc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319471211	394.442	NUHOZGYJEJRWOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110733
COc1ccc(cc1)C(c1ccc(cc1)F)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278126284	394.442	JSQJIOUECMSJRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110734
COc1c(F)cccc1C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	MCULE-6831008311,ZINC22_67712935,PC-id_56713224,EMOLS-id_36446585	394.442	KLGAGNOUOACPDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110735
Fc1cccc(Cn2nc3CCCCC(C(=O)NCc4ccccc4)n3c2=O)c1	EMOLS-id_207869526,MCULE-5773270151	394.442	CPRYBBXKWPAVDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110736
Fc1ccc(COc2cc(C(=O)NCc3n4CCCCCc4nn3)ccc2)cc1	PC-id_51266342	394.442	XJPVTZBUDXBVED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110737
Fc1ccc(N(Cc2ccc3c(c2)OCO3)Cc2nnc3n2CCCCC3)cc1	ZINC22_434476173	394.442	GJPHYCRMISZTRF-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-110738
Fc1ccc(OCC(=O)N2CCc3nc(CCc4ccccc4)nn3CC2)cc1	EMOLS-id_337677280,MCULE-1836080431,ZINC22_2100556765	394.442	HAXMBORBEBJWQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110739
n12CCN(CCc1nnc2CCc1ccccc1)C(=O)C(O)c1ccc(cc1)F	PC-id_56712513,MCULE-7282102123,EMOLS-id_36445129	394.442	GONKDINNCFJHBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110740
O=C([C@H](O)c1ccc(F)cc1)N1CCc2nnc(CCc3ccccc3)n2CC1	ZINC22_67678190,PC-id_95200940	394.442	GONKDINNCFJHBV-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110741
O=C([C@@H](O)c1ccc(F)cc1)N1CCc2nnc(CCc3ccccc3)n2CC1	ZINC22_67678193,PC-id_95200941	394.442	GONKDINNCFJHBV-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110742
O=C(NCCc1nnc2n1CCCCC2)c1ccc(Oc2ccc(F)cc2)cc1	EMOLS-id_15276136,CoCoCo_4559881,PC-id_17488791,MCULE-2917666275,ZINC22_12897827	394.442	CBFRWEVECNRPOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110743
s1c2c(CCCCC2)c(c1NC(=O)C1=COCCO1)C(=O)NC(=O)OCC	PC-id_7521938	394.442	BOKINHNFAMFQHM-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-110744
OCC1CC(O)CC(O1)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)P)C	PC-id_144227062	394.443	VWYAHPMXQTTYLV-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-110745
N#Cc1oc2ccccc2c1NC(=O)COC(=O)c1cc2c(s1)CCCCC2	ZINC22_7058503,EMOLS-id_43703983,MCULE-3463551759,PC-id_8194654,CoCoCo_2861458	394.444	FDWJKUUZNDAKRY-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-110746
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1oc2c(c1)cccc2)C#N	PC-id_45629653	394.444	ICJTVVVPHIQUCM-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-110747
c12nnnn1CCCCC2C(=O)N(CCc1ccc(cc1)F)Cc1cccnc1	EMOLS-id_49646354,PC-id_74233726,MCULE-7454087448	394.445	JLBCLRDEMOXPTL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110748
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4cccnc4)CCn23)c1	ZINC22_12039013,CoCoCo_1264807,CoCoCo_1264808,EMOLS-id_232725098,MCULE-7478103277,PC-id_42370170	394.445	XIHFIBLIMNPZSB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110749
Fc1cc(CN2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)ccc1	PC-id_45165655	394.445	NABAVLPGTHWKNT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110751
Fc1c(CN2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)cccc1	PC-id_45166389	394.445	YYOVLSXZXFQTIV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110752
O=C([C@@H]1CCCCn2nnnc12)N(CCc1ccc(F)cc1)Cc1cccnc1	PC-id_97877152,ZINC22_97370260	394.445	JLBCLRDEMOXPTL-LJQANCHMSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110753
O=C([C@H]1CCCCn2nnnc12)N(CCc1ccc(F)cc1)Cc1cccnc1	PC-id_97877153,ZINC22_97370262	394.445	JLBCLRDEMOXPTL-IBGZPJMESA-N	00000000100000111101000000000010000000000000000000000000	31-01-110754
N#Cc1c(NC(=O)COC(=O)c2n[nH]c3ccccc23)sc2c1CCCCC2	ZINC22_5903006,PC-id_2448488,CoCoCo_2941987,MCULE-3197373009,EMOLS-id_3351457,CoCoCo_2941986	394.447	RJPHHBVVYGQNQG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110755
O=C(c1ccccc1)c1ccc(Sc2nnc3n2CCCCC3)c([N+](=O)[O-])c1	MCULE-1230820448,EMOLS-id_33339348,ZINC22_58378179,PC-id_51111395	394.447	YOGISBVLLNLWOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110756
s1c2CCCCCc2c(c1NC(=O)COc1ccc(cc1)c1ocnn1)C#N	PC-id_38928857	394.447	JHODRMSUPPDSGC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110757
s1c(CCn2c3NC=NCC(=O)c3nc2)ccc1C(=O)OCc1ccccc1	PC-id_10572695	394.447	GKBKNTZMFYUQOE-UHFFFAOYSA-N	00000000100100110111000000000010000000000000000000000000	31-01-110758
C1CCc2nnc(n2CC1)/C(=C(/CSc1nnc(o1)c1ccccc1)O)/C#N	PC-id_135588006	394.45	OINAAQYLHBIQHR-PFONDFGASA-N	00000000100000110101100000000010000000000000000000000000	31-01-110759
Cc1cnc(cn1)C(=O)N1CCc2nc(sc2CC1)C(=O)Nc1cccnc1	EMOLS-id_44303832,PC-id_97442456,ZINC22_96146932	394.45	FHPQEOHBUVEHAH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-110760
Cc1cnc(C(=O)N2CCc3nc(C(=O)Nc4ccncc4)sc3CC2)cn1	PC-id_97442439,ZINC22_96146915	394.45	GZZKEVFUYFQQDM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-110761
s1c2CCCCCc2c(c1NC(=O)COc1ccc(n2nnnc2)cc1)C#N	PC-id_51532557	394.45	VUYIVWJTGAFARV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110762
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1oc(nn1)c1ccccc1	PC-id_78667963	394.45	FRWXCQMSTRRBAI-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-110763
S(CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N)c1oc(nn1)c1ccccc1	PC-id_8332109	394.45	FRWXCQMSTRRBAI-SAPNQHFASA-N	00000011100000110111100000000010000000000000000000000000	31-01-110764
C1CCc2nnc(n2CC1)/C(=C(/CSc1nnnn1c1ccccc1)O)/C#N	PC-id_135810257	394.454	YIPXLYJXDJTMEB-PFONDFGASA-N	00000000100000110101100000000010000000000000000000000000	31-01-110765
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1n(nnn1)c1ccccc1	PC-id_78696010	394.454	JHAGDPMNVZJJKP-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-110766
S(CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N)c1n(nnn1)c1ccccc1	PC-id_8432876	394.454	JHAGDPMNVZJJKP-SAPNQHFASA-N	00000011100000110111100000000010000000000000000000000000	31-01-110767
FC(c1ccc(cc1)C[NH+]1CCN(CC1)Cc1nnc2n1CCCCC2)(F)F	GD-id_ZINC42597198	394.457	HIBLVGJACBESSB-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-110768
O1C(C(C(O)C(O)C1c1cc(Cc2cc3-c(c2)ccccc3)ccc1O)C)CO	PC-id_77457635	394.46	ZZJQOYVQPSLCGH-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-110769
O1C([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(ccc(c1)Cc1cc2-c(c1)ccccc2)C	PC-id_10092023	394.46	NVKKYJFLTDRUSH-MLYSRARTSA-N	00000010100010110110100000000010000000000000000000000000	31-01-110770
O1C(C(O)C(C(O)C1CO)C)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O	PC-id_71196350,SCHEMBL14536579	394.46	KGOZBMQXJIRGAN-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-110771
O1C(C(O)C(O)C1c1cc(Cc2cc3-c(c2)ccccc3)ccc1O)C(CO)C	PC-id_71196304,SCHEMBL14536452	394.46	RWJFRYLORUCOIZ-UHFFFAOYSA-N	00000010100000110110100000000010000000000000000000000000	31-01-110772
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c3-c(c(c2)C)ccccc3)ccc1	PC-id_72423617	394.46	RGUZWHGCTAFVDA-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-110773
O1C(C(O)C(O)C(O)C1CO)c1c(ccc(c1)Cc1cc2-c(c1)ccccc2)C	PC-id_72423612	394.46	NVKKYJFLTDRUSH-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-110774
O1C(C(O)C(O)C(O)C1CO)c1cc(CCc2cc3-c(c2)ccccc3)ccc1	PC-id_72423634	394.46	RPJJOWBQULJPGT-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-110775
O1[C@@H]([C@H]([C@H](O)[C@@H](O)[C@@H]1c1cc(Cc2cc3-c(c2)ccccc3)ccc1O)C)CO	PC-id_68163682,SCHEMBL11910966	394.46	ZZJQOYVQPSLCGH-RAEJBKIPSA-N	00000010100010110110100000000010000000000000000000000000	31-01-110776
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2c3-c(c(c2)C)ccccc3)ccc1	BindingDB_PC-id_58786124,PC-id_58786124,SCHEMBL5273408	394.46	RGUZWHGCTAFVDA-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-110777
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(ccc(c1)Cc1cc2-c(c1)ccccc2)C	SCHEMBL14590089,PC-id_58786119	394.46	NVKKYJFLTDRUSH-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-110778
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(CCc2cc3-c(c2)ccccc3)ccc1	PC-id_58786143,SCHEMBL14590115	394.46	RPJJOWBQULJPGT-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-110779
CC(C)Cn1ncc(NC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)c1C(F)F	EMOLS-id_316878827,ZINC22_663181207,MCULE-2674312350	394.462	NRZHNBMFMCQBQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110780
Fc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	SCHEMBL8799494,PC-id_57199701	394.462	ADBBGNALFMAZGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110781
o1nc(OC(C)C)c2C(=CCCCc12)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC	PC-id_44222134	394.462	GIVQGLWOKUATPG-AWEZNQCLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-110782
o1nc(OC(C)C)c2C(=CCCCc12)CC(NC(=O)OC(C)(C)C)C(=O)OC	PC-id_74955804	394.462	GIVQGLWOKUATPG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-110783
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(F)cccc2)cc1	PC-id_57157301	394.462	DNTSXOMLPXMRCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110784
C1CC1Cn1c(=O)n2CCC(CCc2n1)NS(=O)(=O)Cc1ccccc1F	MCULE-9453355365,EMOLS-id_50590532,PC-id_91922694	394.464	ZNXUFFXKTOYCIK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-110785
CC1(C)Cc2n[nH]cc2CN(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1	EMOLS-id_313131587,ZINC22_952994762,MCULE-1500847499	394.464	LPYMLPFPOUVTFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110786
Cc1ccc(cc1F)S(=O)(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97519069	394.464	GZJROHFIPMBARI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-110787
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccccc1F	MCULE-1693533867,EMOLS-id_168607914	394.464	APIVALXXEQBCMA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-110788
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1cccc(F)c1	MCULE-1138701040,EMOLS-id_97099963	394.464	AELKBWWVQHPBDM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-110789
O=C1Nc2c(C1=Cc1[nH]c3c(CCCCC3)c1CCC(=O)O)c(CCO)ccc2	PC-id_72651826	394.464	XBYLZFADGGHYMW-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110790
O=C1Nc2c(/C/1=C/c1[nH]c3c(CCCCC3)c1CCC(=O)O)c(CCO)ccc2	SCHEMBL6697558,PC-id_60113737	394.464	XBYLZFADGGHYMW-LGMDPLHJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110791
c1(NC(=O)c2ccc(N(=O)=O)s2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_30108603,MCULE-4731901147,CoCoCo_5015581,ZINC22_6327583,PC-id_4462626	394.465	LDAYNROMIVJMBB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-110792
O(c1ccc(/N=C/c2c3-c(c(c2)/C=N/c2ccc(OC)cc2)ccccc3)cc1)C	PC-id_11338404	394.465	JAVKFWMVTCWMCS-XUIWWLCJSA-N	00000010100000110110000000000010000000000000000000000000	31-01-110793
O=C(Cc1ccc2-c1ccccc2)Nc1cccc(c1)C(=O)NCc1ccccc1	PC-id_139996489	394.465	UHYVQZWMDSVVKX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-110794
s1c2c(CCCCC2)c(c1NC(=O)c1sc(c([N+](=O)[O-])c1)C)C(=O)OC	PC-id_52638652	394.465	UVGMAYBZEGHYHI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-110795
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1cccc(c1)c1ccco1	ZINC22_91594093,MCULE-2630544833,EMOLS-id_44717104,PC-id_70736664	394.467	ZYRMXOGJHMMZOM-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-110796
c1(C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)c(C)c2c(c(C)ccc2)n1C	PC-id_56898541,EMOLS-id_43124673,ZINC22_72430589,MCULE-9573971366	394.467	CEPSCCWIXAKQMU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-110797
c1(onc(Cc2ccc(cc2)OC)c1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_11966680,EMOLS-id_337767659,MCULE-7998792547,PC-id_42319869	394.467	MFCOTLYYPDSJCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110798
Cc1cc2ccccc2n1CCC(=O)N1CCCn2nc(CCC(=O)O)cc2C1	EMOLS-id_43147796,MCULE-1139451741,ZINC22_72457702,PC-id_56906042	394.467	LUNKJSQXKAZJIJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-110799
Cc1ccc(o1)CN1CCc2ncc(n2CC1)C(=O)NCCOc1ccccc1	PC-id_134809824	394.467	OLFAQJPUUKDRQE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-110800
CC/C=C
/Nc2c(CN(C1C)C(=O)c1ccc(c(c1)C)/C=C/C(=O)O)cnn2C	PC-id_143188942	394.467	MGLSJUNHEDLXGW-BGXVZOIHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110801
CCCCC(=O)Oc1ccc(cc1OC)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3735940	394.467	JAZQWACWFKGOGK-LGMDPLHJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110802
CCCCC(=O)Oc1ccc(cc1OC)C=C(c1nnc2n1CCCCC2)C#N	MCULE-8973930474,PC-id_72033350,EMOLS-id_301017092	394.467	JAZQWACWFKGOGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110803
CCCCC(=O)Oc1ccc(cc1OC)/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_8122283,CoCoCo_3735939	394.467	JAZQWACWFKGOGK-GHRIWEEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-110804
COc1ccc(n2c(C)cc(C(=O)Cn3nc4n(c3=O)CCCCC4)c2C)cc1	EMOLS-id_11783607,PC-id_16340768,CoCoCo_4406412,ZINC22_9417860,MCULE-5835324099	394.467	VHDLVYPUQRUKFK-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-110805
O1CCN(C(=O)c2nn3CCCN(Cc3c2)Cc2ccc(cc2)C#CCO)CC1	MCULE-5120344192,EMOLS-id_32379700,PC-id_50954212	394.467	CBHBICDJPXBNJV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110806
Cc1c(ccc(c1)NC(=O)C)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625676	394.469	BKCIWGTXPGWXEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110807
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625404	394.469	XODFGULSUGDHNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110808
COC(=O)[C@@H]1CCCCn2c(cnn2)CCC(=O)NCCCC[C@@H](C(=O)N1)N	PC-id_134843072	394.469	MGMCMTVRKPMLDG-GJZGRUSLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110809
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1c[nH]nc1c1ccccc1	PC-id_72933148,EMOLS-id_46094337,ZINC22_92036970,MCULE-2908680546	394.47	LBRZMCUFTUCJDS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110810
c1(c2ccccc2[nH]c1)C(=O)N1CCCn2c(cc(n2)C(=O)NCCN(C)C)C1	EMOLS-id_32389570,PC-id_50959408,ZINC22_67739740,MCULE-1973704759	394.47	RLECLTJARUBVQK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-110811
C1CCc2nnc(n2CC1)/C(=C(/CN1CCN(CC1)c1ccccc1O)O)/C#N	PC-id_135571868	394.47	BHPJWBFUMJJYEU-MNDPQUGUSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110812
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3cccnc3)CCn12	EMOLS-id_20590879,PC-id_45214386,MCULE-9540889368	394.47	VAQHQFRXSDKKMJ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-110813
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc(CC)o3)CCn12	PC-id_45203585,EMOLS-id_20544233,MCULE-1843273099	394.47	NAEIRGYJLSYXOJ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-110814
c1(cn2c(CCN(Cc3cnc4ccccn34)CC2)n1)C(=O)N1CCC[C@H](O)C1	ZINC22_1940193684,MCULE-6607503719,EMOLS-id_336472753	394.47	HZNIDAIYDKHAFR-KRWDZBQOSA-N	00000000100010100101000001000010000000000000000000000000	31-01-110815
c1(CN(C)c2nncc(n2)c2ccc(cc2OC)OC)c2CCCCCc2[nH]n1	CoCoCo_1213832,EMOLS-id_20459791,MCULE-5686898770,PC-id_42289688,Chemmine_36680,CoCoCo_1213831,ZINC22_11935735	394.47	GLDPIMVKWXGJAG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110816
Cc1ccc(cc1)NC(=O)CN(C)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135552906	394.47	IILKCZDSXYQYBM-ZCXUNETKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110817
Cc1cc(C)n(CCC(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)n1	MCULE-7617643957,EMOLS-id_50585939,PC-id_91922559	394.47	RXXSAMKGQHCCGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110818
CCc1ccc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)o1	ZINC22_14976863,PC-id_26332881,MCULE-6872272657,EMOLS-id_20636783,CoCoCo_1473770,CoCoCo_1473769	394.47	PQKGIFFGJGCNTD-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-110819
CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)o1	CoCoCo_1335185,CoCoCo_1335184,ZINC22_20920750	394.47	NAEIRGYJLSYXOJ-HNNXBMFYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-110820
CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)o1	ZINC22_20920744,CoCoCo_1335183,CoCoCo_1335182	394.47	NAEIRGYJLSYXOJ-OAHLLOKOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-110821
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cccnc1)CC2	CoCoCo_1404670,ZINC22_12031042,CoCoCo_1404671	394.47	VAQHQFRXSDKKMJ-LJQANCHMSA-N	00000000101000101101000000000010000000000000000000000000	31-01-110822
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cccnc1)CC2	CoCoCo_1404673,ZINC22_12031046,CoCoCo_1404672	394.47	VAQHQFRXSDKKMJ-IBGZPJMESA-N	00000000101000101101000000000010000000000000000000000000	31-01-110823
C[C@@H](CCc1ccccc1)C=NC(=N)C(=O)N[C@H]1CCn2c(ccn2)N(C1=O)C	PC-id_135136083	394.47	HDLRAMBMFANWFI-RDJZCZTQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110824
C[C@@H](CCc1ccccc1)/C=N/C(=N)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL20282534	394.47	HDLRAMBMFANWFI-JRHSKZIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110825
CC(N1CCCn2c(C1)cc(n2)C(=O)N(Cc1nnc(o1)c1ccccc1)C)C	MCULE-9366832298,EMOLS-id_32373476,PC-id_50950982	394.47	JFPGSKIPDRWLHX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110826
CCn1nc2n(c1=O)CCC(CC2)C(=O)N(Cc1cnn(c1)c1ccccc1)C	MCULE-6701123323,EMOLS-id_207876854	394.47	JBGROMQPNAQTBA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110827
CN(Cc1nccn1Cc1ccccc1)C(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_320395817,ZINC22_363270728,MCULE-8194340836,PC-id_139005134	394.47	CHDSCGKRRCSPCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110828
COc1ccc(Cn2cc(C(=O)NCCc3nnc4n3CCCCC4)cn2)cc1	ZINC22_109252082	394.47	BNNFKCYRUFYTMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110829
COCCn1ncc(c1)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_316648526	394.47	VUSKNZVOVPCNBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110830
n12CCN(CCc1nnc2CNC(=O)c1ccncc1)C(=O)CC1=CCCCC1	MCULE-2062255268,CoCoCo_1173734,PC-id_42367186,EMOLS-id_20430837,ZINC22_12035985	394.47	PZIYZHATYFJDCK-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-110831
n12CCN(CCc1nnc2CNC(=O)C1CCOC1)Cc1cc2c(cccc2)[nH]1	MCULE-7221487086,EMOLS-id_20541999,PC-id_45166585	394.47	YFMNQKCBPFDJHX-UHFFFAOYSA-N	00000010100000100101000001100010000000000000000000000000	31-01-110832
o1nc(n2c(c(cc2C)/C=C/C(=O)NCc2n3CCCCCc3nn2)C)cc1C	PC-id_24676700	394.47	PVYXCHWILUULEL-CMDGGOBGSA-N	00000000110000000101100000000010000000000000000000000000	31-01-110833
o1nc(n2c(c(cc2C)C=CC(=O)NCc2n3CCCCCc3nn2)C)cc1C	PC-id_74311141	394.47	PVYXCHWILUULEL-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-110834
O=C1C(=O)N(CN2CCN(Cc3nnc4n3CCCCC4)CC2)c2ccccc12	PC-id_30961757,MCULE-8028105364,CoCoCo_4552871,CoCoCo_4552872,ZINC22_23258852,EMOLS-id_23973851	394.47	WBIBOMZQMXNWLP-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-110835
O=C(C(=C1N2CCCCCC2=NN1)C#N)CN(CC(=O)Nc1ccc(cc1)C)C	PC-id_84836258	394.47	PVOGZEXUJZXVAN-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-110836
O=C(/C(=C
/N2CCCCCC2=NN1)/C#N)CN(CC(=O)Nc1ccc(cc1)C)C	PC-id_8785801	394.47	PVOGZEXUJZXVAN-HEHNFIMWSA-N	00000011000000110111000000000010000000000000000000000000	31-01-110837
O=C(CN1CCN(CC1)c1c(O)cccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78698928	394.47	BEJNHFZZPUDEKX-UHFFFAOYSA-N	00000011000010110111100000000010000000000000000000000000	31-01-110838
O=C(CN1CCN(CC1)c1c(O)cccc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8442854	394.47	BEJNHFZZPUDEKX-LTGZKZEYSA-N	00000011000010110111100000000010000000000000000000000000	31-01-110839
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)COc1cc(ccc1)C#N	PC-id_46492715	394.47	XKZNFXXWGZMEEL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110840
O=C(NCc1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2)[C@@H]1CCOC1	ZINC22_20917837	394.47	YFMNQKCBPFDJHX-MRXNPFEDSA-N	00000010100000100101000001100010000000000000000000000000	31-01-110841
O=C(NCc1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2)[C@H]1CCOC1	ZINC22_20917843	394.47	YFMNQKCBPFDJHX-INIZCTEOSA-N	00000010100000100101000001100010000000000000000000000000	31-01-110842
O=C(NCCc1n2CCCCCc2nn1)C1=NN(C(=O)CC1)Cc1ccccc1	PC-id_55743658	394.47	VOVSDXSMFVLXMY-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-110843
O=C(NCCc1n2CCCCCc2nn1)CCc1onc(n1)c1ccc(cc1)C	PC-id_51304526	394.47	BMMVXOASHRRXPB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110844
O(/N=c/1c(nc2n(nc(c2nc1C)C)C(C)(C)C)C)C(=O)NCc1ccccc1	PC-id_10500843	394.47	PDVZHUSECFVPGR-ONUIUJJFSA-N	00000000100000110111000000000010000000000000000000000000	31-01-110845
O(N=c1c(nc2n(nc(c2nc1C)C)C(C)(C)C)C)C(=O)NCc1ccccc1	PC-id_85161819	394.47	PDVZHUSECFVPGR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-110846
C#CCc1cnn2c1ccc(cc2=NCc1cccnc1)NCCc1cccnc1	PC-id_145501889	394.472	ZITJRXTZPPPJIA-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-110847
N#Cc1ccc(cc1)CN1CCCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183207	394.473	SGWWADWVMVATIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110848
O=C(N1CCCC1Cn1c(C)nc2c1cccc2)NC1CCn2c(CC1)nnn2	EMOLS-id_102166915	394.473	RTLUPEBQRRTAAX-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-110849
OCC1CC(O)CC(O1)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)(C)C)F	PC-id_144227132	394.478	OSIOKNXGZVCNRV-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-110850
C[C@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CCCc2occc2C1)C1CC1	ZINC22_2332237979	394.485	SNIQJVSWOHQTLX-APHBMKBZSA-N	00100010100000000100000000000010000000000000000000000000	31-01-110851
C[C@@H](C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1C(=O)N1CCCc2occc2C1)C1CC1	ZINC22_2332237980	394.485	SNIQJVSWOHQTLX-DAXOMENPSA-N	00100010100000000100000000000010000000000000000000000000	31-01-110852
CCOC(=O)c1c(NC(=O)N2CCC(CC2)C(=O)O)sc2c1CCCCC2	EMOLS-id_72871311,MCULE-5366879416,PC-id_122087724	394.485	KFYAVCKNTBTGJA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-110853
CCOC(=O)N1CCN(C(=O)COC(=O)c2cc3c(s2)CCCCC3)CC1	ZINC22_16684902,PC-id_71905283,EMOLS-id_45701176,MCULE-1320324345	394.485	YHCRUCMOVWCMAS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110854
c1(c2CCCCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccc(cc1)C	CoCoCo_81727,MCULE-9676777456,ChEMBL-DNDi_CHEMBL5580196,EMOLS-id_1230925,BAS-00486732,ZINC22_1104474,SCHEMBL16211025,PC-id_1284346	394.487	RBTTXDWCJMVFSZ-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-110855
c1(c2CCCCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccccc1C	ZINC22_970529,Chemmine_6560,SPECS-id_AG-690/12883413,PC-id_1202856,BAS-00486741,EMOLS-id_1230941,CoCoCo_81735,MCULE-8682238031	394.487	DKXODSAKMJKSQY-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-110856
c1(c2CCCCCc2sc1NC(=O)c1ccco1)C(=O)Nc1cccc(C)c1	ZINC22_1104471,CoCoCo_81768,BAS-00486808,PC-id_1284343,EMOLS-id_1231007,MCULE-4651486188	394.487	CRAKTPSJMRWIBJ-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-110857
COc1ccc(cc1)CN1C(=O)c2c(nc(COc3ccccc3)s2)CCC1	MCULE-9593534776,SCHEMBL156706,PC-id_66608592	394.487	MKPLHCPWPBVING-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110858
N#Cc1c(NC(=O)COC(=O)C2(c3ccccc3)CC2)sc2c1CCCCC2	CoCoCo_3115174,ZINC22_20866076,EMOLS-id_19405540,MCULE-1255989775,PC-id_24380594	394.487	FEOIFOOTSVLQNQ-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-110859
O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cc2c(s1)CCCCC2	PC-id_17511898,MCULE-8550979591,CoCoCo_4400344,EMOLS-id_16710611,ZINC22_12872043	394.487	STWUBNYUHSIERZ-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-110860
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc2CCCc2cc1)C#N	PC-id_40061573	394.487	KUQPNRXSGJZGBM-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110861
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1ccc(cc1)C)C#N	PC-id_45615293	394.487	DRCIOYDGOJGZTB-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110862
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1ccc(cc1)C)C#N	PC-id_75122160	394.487	DRCIOYDGOJGZTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110863
s1c2CCCCCCc2cc1C(=O)Nc1cc(NC(=O)c2occc2)ccc1	PC-id_41941217	394.487	CRMKCBIDVKNANX-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-110864
c12C(=O)NCCCc1nc(NC(=O)C1CCCN(C1)C(=O)OC(C)(C)C)s2	PC-id_72720010,EMOLS-id_48619052,MCULE-8380516708	394.488	KVJIXGYZZHKDPU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110865
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2nc3c(s2)C(=O)NCCC3)C1	PC-id_97428936,ZINC22_96124402	394.488	KVJIXGYZZHKDPU-LLVKDONJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110866
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2nc3c(s2)C(=O)NCCC3)C1	ZINC22_96124401,PC-id_97428935	394.488	KVJIXGYZZHKDPU-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-110867
CC(C)Oc1cccc(CN(Cc2nnc3n2CCOCC3)S(=O)(=O)C)c1	MCULE-8189273859,EMOLS-id_320275158,ZINC22_1615550051	394.488	KQEJPZXUWLCBGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110868
c12C(=O)N(CCCn1nc(C(=O)NCc1cccs1)c2)Cc1ccc(cc1)C	MCULE-5591741200,PC-id_50797951,EMOLS-id_32846130	394.49	XHZKSUGQWDTLAI-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-110869
c12C(=O)N(CCCn1nc(C(=O)NCc1cccs1)c2)Cc1cccc(C)c1	PC-id_53029194,EMOLS-id_32633166,MCULE-8649312157	394.49	VCMAEXMFVLBLPF-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-110870
c12C(=O)N(CCCn1nc(C(=O)NCCc1cccs1)c2)Cc1ccccc1	MCULE-6112233108,EMOLS-id_32846070,PC-id_50798058	394.49	WUXZFGACKKZHPJ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-110871
c1(c2CCCCCc2sc1NC(=O)c1ccnn1C)C(=O)Nc1ccccc1	TIMTEC325094,EMOLS-id_4072795,CoCoCo_6806846,PC-id_17372190,ZINC22_6827569,MCULE-6874775114	394.49	NAFPODHTVYLMKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110872
Cc1ccc(cc1)S(=O)(=O)N1CC(/C=C/c2ccccc2)Cn2c(C1)cnn2	PC-id_102368839	394.49	XIVFRHSQCCADKH-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110873
Cc1ccc(cc1)S(=O)(=O)N1CCCC=Cc2c1nnn2Cc1ccccc1	PC-id_102324345	394.49	PSWCKKOKDWNBLM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-110874
Cc1nc2cc(N[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)ccc2o1	CoCoCo_4260120,ZINC22_12553317,PC-id_25353908	394.49	WUGLGESOOHIQGQ-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110875
Cc1nc2cc(N[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)ccc2o1	PC-id_25353910,CoCoCo_4260119,ZINC22_12553320	394.49	WUGLGESOOHIQGQ-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110876
C[C@@H](c1ccccc1)C[N@H+]1CCc2n(CC1)c(nn2)CCNC(=O)c1cocc1	GD-id_ZINC12002408	394.49	FSMXPQYXAAULFD-QGZVFWFLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110877
COc1ccc(cc1)C[NH+](C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)C1CC1	PC-id_135809808	394.49	BPQQWXYBDFQBEC-VXPUYCOJSA-O	00100000100000110101000000000010000000000000000000000000	31-01-110878
COc1cccc(CN2CCc3nc(C(=O)N=c4cc[nH]cc4)sc3CC2)c1	EMOLS-id_313791035,ZINC22_1203819019	394.49	OAYUHKUZDJFLIV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-110879
N#Cc1c(NC(=O)C2CC(=O)N(C2)Cc2ccccn2)sc2c1CCCCC2	EMOLS-id_44538849,MCULE-9275614821,PC-id_71890732	394.49	ANSUESODIKBNEA-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-110880
N#Cc1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)sc2c1CCCCC2	ZINC22_84610022,PC-id_97018201	394.49	ANSUESODIKBNEA-CQSZACIVSA-N	00000010100000101100000000000010000000000000000000000000	31-01-110881
N#Cc1c(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)sc2c1CCCCC2	ZINC22_84610023,PC-id_97018202	394.49	ANSUESODIKBNEA-AWEZNQCLSA-N	00000010100000101100000000000010000000000000000000000000	31-01-110882
N#Cc1c(NC(=O)CN2c3ccccc3C[C@H]2C(=O)N)sc2c1CCCCC2	ZINC22_64344611,PC-id_71881534,EMOLS-id_43643766,MCULE-1874816544	394.49	ZLQDZMBXEPEBPS-KRWDZBQOSA-N	00000010100000100100000000001010000000000000000000000000	31-01-110883
N#Cc1c(NC(=O)C(Nc2ccc3c(c2)nc(o3)C)C)sc2c1CCCCC2	MCULE-5818666448,PC-id_17496243,EMOLS-id_16667466	394.49	WUGLGESOOHIQGQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110884
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)CS(=O)c1ccccc1	MCULE-9047598966,EMOLS-id_320185971	394.49	XZKDERYOLAEEDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110885
O=C(C[NH+](C1CC1)Cc1ccc(OC)cc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_84832724	394.49	COAJCIAGJDEAEE-UHFFFAOYSA-O	00100011000000110111000000000010000000000000000000000000	31-01-110886
O=C(C[NH+](C1CC1)Cc1ccc(OC)cc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8770797	394.49	COAJCIAGJDEAEE-ZBJSNUHESA-O	00100011000000110111000000000010000000000000000000000000	31-01-110887
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C)C)c1c(occ1)C	PC-id_74843830	394.49	USXPQIABTMHANO-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110888
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(c(cc1)C)C)C)c1occc1	PC-id_74793146	394.49	XLCUZBWPAQPECZ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110889
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(ccc(c1)C)C)C)c1occc1	PC-id_74799500	394.49	KFPARXQGJWEWNI-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110890
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cc(cc1)C)C)C)c1occc1	PC-id_74844273	394.49	OPCGENLGWAHKSZ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110891
O=C(NC(c1n2CC[NH+](CCc2nn1)CCCc1ccccc1)C)c1occc1	PC-id_74808179	394.49	MKXXLKLGXUNNIO-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110892
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1cc(c(cc1)C)C)c1occc1	PC-id_42397175	394.49	CCASBZVTIIDJBU-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110893
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C)C)c1c(occ1)C	PC-id_42331226	394.49	USXPQIABTMHANO-MRXNPFEDSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110894
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C)C)c1c(occ1)C	PC-id_42331229	394.49	USXPQIABTMHANO-INIZCTEOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110895
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(cc1)C)C)C)c1occc1	PC-id_42341500	394.49	OPCGENLGWAHKSZ-QGZVFWFLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110896
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(cc1)C)C)C)c1occc1	PC-id_42341501	394.49	OPCGENLGWAHKSZ-KRWDZBQOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110897
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(ccc(c1)C)C)C)c1occc1	PC-id_42365121	394.49	KFPARXQGJWEWNI-QGZVFWFLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110898
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(ccc(c1)C)C)C)c1occc1	PC-id_42365122	394.49	KFPARXQGJWEWNI-KRWDZBQOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110899
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(c(cc1)C)C)C)c1occc1	PC-id_42376839	394.49	XLCUZBWPAQPECZ-QGZVFWFLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110900
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(c(cc1)C)C)C)c1occc1	PC-id_42376840	394.49	XLCUZBWPAQPECZ-KRWDZBQOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110901
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)CCCc1ccccc1)C)c1occc1	PC-id_42500562	394.49	MKXXLKLGXUNNIO-QGZVFWFLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110902
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)CCCc1ccccc1)C)c1occc1	PC-id_42500564	394.49	MKXXLKLGXUNNIO-KRWDZBQOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-110903
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cn(nc1)Cc1ccccc1	PC-id_9163660	394.49	ZQWQMLVYDXPQDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110904
s1c2CCCCCc2cc1C(=O)NNC(=O)c1nn(c(c1)C)c1ccccc1	PC-id_55792125	394.49	BNTSSYHZMLUALY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110905
s1c2CCCCCc2cc1C(=O)NNC(=O)C(n1nccc1)c1ccccc1	PC-id_56267403	394.49	QOZKFPMDGOHULP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110906
s1c2CCCCCCc2cc1C(=O)Nc1ccc(n2nc(cc2)C(=O)N)cc1	PC-id_56399000	394.49	JLVJCSSTMUKGIW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110907
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(n2ccnc2)cc1	PC-id_37622166	394.49	NUEXIXSCRUSFPJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110908
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(Oc2ccccc2)cc1	PC-id_7877585	394.49	WHPCVSHKYYSFAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110909
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(Oc2ccccc2)cccc1	PC-id_7877392	394.49	XWYHBGGUOZNQCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110910
Cc1c(c(nn1C)C)S(=O)(=O)NC1CCc2nn(c(=O)n2CC1)CC1CC1	MCULE-3242196468,PC-id_91922692,EMOLS-id_50590530	394.492	ZUCFKMUFEFXQPI-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110911
Cc1nn(Cc2nnc3n2CCCCC3)c(C)c1S(=O)(=O)N1CCOCC1	ZINC22_278658289,MCULE-1015816822,EMOLS-id_111778179	394.492	MZKAHXTXDUFOFP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110912
Cc1onc(c1S(=O)(=O)N1CCN(CC1)Cc1nnc2n1CCCCC2)C	EMOLS-id_110778424	394.492	LCKLTYBLAPNWJB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110913
CCn1cc(cn1)S(=O)(=O)N(C)C1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_50586263,MCULE-5464002160,PC-id_91910886	394.492	YAMWXOUQQBPUIN-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-110914
S(CC(=O)C1C(N(CC(C)C)C(=O)NC1=O)N)c1n2CCCCCc2nn1	PC-id_74650988	394.492	ZXFNEXWIRJMNAQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110915
Nc1nccc(n1)c1ccc(c(c1)C)CNC(=O)c1nc2c(s1)CCNCC2	PC-id_118139108,SCHEMBL16793717	394.493	BPRIEUCGRQNELK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-110916
O=C(c1nc2c(s1)CCCC2)N1CCc2nnc(Cc3cccnc3)n2CC1	EMOLS-id_316234280,ZINC22_1506400298,MCULE-4589821255	394.493	CCOKLPULIVWSGR-UHFFFAOYSA-N	00000000100010101101000000010010000000000000000000000000	31-01-110917
S(c1n2CCCCCc2nn1)CC(=O)C(=C1N(c2c(N1C)cccc2)C)C#N	PC-id_8325505	394.493	AXSMGHYYAVSNFB-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-110918
s1c2c(CCCCCCCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)OC	PC-id_4323090	394.505	PZPMHVFORHISPX-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-110919
c1ccc2-c(c(cc2)C(c2ccc3-c(ccc3)cc2)c2c3-c(ccccc3)cc2)cc1	PC-id_90889252	394.506	FGDCOTBHSPBAHT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-110920
C(c1c2-c(cc1)ccccc2)(c1c2-c(cc1)ccccc2)c1c2-c(cc1)ccccc2	PC-id_14043870	394.506	BUYFZXXDAXCSRZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-110921
c1(sc2c(CCCCCC2)c1C(=O)N)NS(=O)(=O)c1ccc(cc1)OC	MCULE-8473198667,EMOLS-id_4072859,TIMTEC284420,CoCoCo_6809638,ZINC22_5392680,PC-id_17386153	394.508	LGWMXHLPQXOYDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110922
CCOc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3538107,MCULE-9425895106,EMOLS-id_16683014,PC-id_8500318	394.508	OBOIMIQFMRGZMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110923
CCOC(=O)c1nc2c(s1)N(S(=O)(=O)c1cc(C)ccc1C)CCCC2	MCULE-4776596564,EMOLS-id_76028078,PC-id_121568051,ZINC22_328594054	394.508	LYSVAZWXLZHRNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110924
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CCOCC2)CCC(O)(C)C	PC-id_58054311,SCHEMBL10090996	394.508	RZLSSCKTAINVIH-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110925
COc1ccc(S(=O)(=O)N)cc1NC(=O)c1cc2c(s1)CCCCCC2	ZINC22_32850782,EMOLS-id_44011243,MCULE-6763517749,PC-id_40084241,CoCoCo_4384302	394.508	AQXCQPAREABFFI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110926
O1CCn2c(c(nc2CCC(O)(C)C)C(=O)NC(C(C)(C)C)C(=O)NC)CC1	PC-id_76680491	394.508	RZLSSCKTAINVIH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110927
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)ccc(c1)C	PC-id_8518870	394.508	WNAMZPUFXVTMKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110928
s1c2c(CCCCC2)c(c1N/C(=C(C(=O)OC)/C#N)/SC)C(=O)OCC	PC-id_10430746	394.508	DCAQVTMGTMOWPS-NTCAYCPXSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110929
s1c2c(CCCCC2)c(c1NC(=C(C(=O)OC)C#N)SC)C(=O)OCC	PC-id_85140992	394.508	DCAQVTMGTMOWPS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-110930
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)C)C(=O)OC	PC-id_2697583	394.508	ZADYAOIJRVBSMG-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-110931
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](CC(=O)NC1CC1)C)C(=O)OC	PC-id_9053093	394.508	PYWOYRLBOVRIFJ-UHFFFAOYSA-O	00100000100000000100000000000010000000000000000000000000	31-01-110932
s1c2CCCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N)c(OC)cc1	PC-id_9378749	394.508	DRALBYPSHRUMJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110933
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1O)C	PC-id_60492883	394.508	QSKXDOIBSYRTQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110934
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(OC)cc1	PC-id_8482879	394.508	FLFAICXJFGGYTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110935
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)cccc1	PC-id_51170179	394.508	PIMHFNKHXIOEBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-110936
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCCC1)c2)Cc1ccc(cc1)C	PC-id_20964728,MCULE-9184961888,EMOLS-id_16324658,CoCoCo_2544530	394.51	IORSCIRKFVBGOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110937
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCCC1)c2)Cc1cccc(C)c1	EMOLS-id_32633098,PC-id_53086380,MCULE-5275304334	394.51	DFQLBOFIHLJXBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110938
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCCCC1)c2)Cc1ccccc1	MCULE-4942346202,PC-id_20964695,CoCoCo_2544487,EMOLS-id_16324588	394.51	WGATVDCXPWHOKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110939
Cc1cc(C)cc(c1)C(=O)N1CCCC(C1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101670109	394.51	LBMNTQVUMZFMRV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110940
CCc1c(c(ccc1)CC)NC(=O)c1nn(c2c1CCCC(=CN(C)C)C2=O)C	PC-id_89895611	394.51	BHCBXSDBBOYYLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110941
CCc1cccc(c1NC(=O)c1nn(c2c1CCC/C(=CN(C)C)/C2=O)C)CC	SCHEMBL15377570	394.51	BHCBXSDBBOYYLF-SAPNQHFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-110942
CCn1cc2c(c1)C(=O)N(CC=C2)CCCN1CCN(CC1)c1ccc(cc1)O	PC-id_22738106,SCHEMBL6774319	394.51	GHFFJOXCSBFGOL-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-110943
CCn1ccc2c1C=CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)O	PC-id_22738042,SCHEMBL6773722	394.51	SSNCSNBCWLDXCG-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-110944
CCn1ccc2c1C(=O)N(CCCN1CCN(CC1)c1ccccc1)CCC2=O	PC-id_20083207,SCHEMBL6994151	394.51	FITYGXJUEMDHKI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110945
Cn1ccc2c1C(=NCC/C/2=NO)OCCCN1CCC(CC1)c1ccccc1	PC-id_136426991,SCHEMBL6996971	394.51	WUHPDRBZMSCDFX-NJNXFGOHSA-N	00000000100010110110100000000010000000000000000000000000	31-01-110946
Cn1ccc2c1C(=NCCC2=NO)OCCCN1CCC(CC1)c1ccccc1	SCHEMBL6996975,PC-id_136426992	394.51	WUHPDRBZMSCDFX-UHFFFAOYSA-N	00000000100010110110100000000010000000000000000000000000	31-01-110947
Cn1ccc2c1C(=O)N(CCCCN1CCN(CC1)c1ccccc1)CCC2=O	PC-id_15284133,SCHEMBL6990341	394.51	DHWQRWHXILSKGQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110948
Cn1ccc2=C(CCNC(=c12)OCCCN1CCC(CC1)c1ccccc1)N=O	PC-id_88072709	394.51	SWLBESZPXIIZFC-UHFFFAOYSA-N	00000000100010110110100000000010000000000000000000000000	31-01-110949
CN1CCC(=O)c2c(C1=O)ccn2CCCCN1CCN(CC1)c1ccccc1	SCHEMBL6992914,PC-id_22011269	394.51	GXHRDNQIPHHJTD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110950
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCN(CC1)c1ccccc1)cc2	SCHEMBL6986161,PC-id_20085262	394.51	BCVZCSJXBAQPLR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110951
COc1ccccc1N1CCN(CC1)CCCN1CC=Cc2c(C1=O)ccn2C	PC-id_22738004,SCHEMBL6780873	394.51	UYWDNTYMKURMJV-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-110952
COc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)ccn2C	PC-id_22738047,SCHEMBL6773870	394.51	MEGOOPCIPNLLLN-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-110953
o1c2c(c(CC(=O)NCCc3n4CCCCCc4nn3)c1)cc(C(C)C)c(c2)C	PC-id_51323432	394.51	FABNPBYZMZABIA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110954
Oc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)c(C)cn2C	SCHEMBL6774545,PC-id_22737902	394.51	VLGWHTMRDYOXKH-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-110955
O=C1N(CCCN2CCC(CC2)c2ccccc2)CCC(N=O)c2c1n(cc2)C	PC-id_54435888	394.51	WKRUKYWQNFYZQD-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-110956
O=C1N(CCCN2CCC(CC2)c2ccccc2)CCC(=NO)c2c1n(cc2)C	PC-id_73658802	394.51	ZYUVUVKOIUMKLH-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-110957
O=C1N(CCCN2CCC(CC2)c2ccccc2)CC/C(=N/O)/c2c1n(cc2)C	SCHEMBL6997204,PC-id_20083208	394.51	ZYUVUVKOIUMKLH-FLFQWRMESA-N	00000000100010110100100000000010000000000000000000000000	31-01-110958
O=C1N(CCCN2CCN(CC2)c2ccc(cc2)C)CCC(=O)c2n(ccc12)C	PC-id_21304038	394.51	QYXZEIGOFHLJRR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-110959
O=C1N(CCCN2CCN(CC2)Cc2ccccc2)CCC(=O)c2c1ccn2C	PC-id_101028464	394.51	XTJXTBZCBIQTNS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-110960
O=C(c1noc2c1CCCCC2)Nc1cccc(c1)N1CCN(CC1)CC1CC1	EMOLS-id_100122000	394.51	CWPOJYXPLBJACZ-UHFFFAOYSA-N	00100000100010110101100000000010000000000000000000000000	31-01-110961
O=C([C@@H]1C[C@H]1C1CCOCC1)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_316647246	394.51	DUZQFOSNZKMGOJ-VQTJNVASSA-N	00100000100010110101100000000010000000000000000000000000	31-01-110962
Cn1cc(S(=O)(=O)NC(=O)c2cc3c(s2)CCCNC3)c(C2CCC2)n1	ZINC22_2325777912	394.512	OATBPNBDZGLMGW-UHFFFAOYSA-N	00001000100000000101100000000010000000000000000000000000	31-01-110963
CN(c1ccc(C(=O)CSc2nnc3n2CCCCC3)cc1)S(=O)(=O)C	EMOLS-id_13556531,CoCoCo_3854813,ZINC22_8539035,PC-id_17476066,MCULE-4008805024	394.512	VIVHNNBOVLMNLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110964
O=C(c1cc2c(s1)CCCCC2)N1CCN(CC1)S(=O)(=O)c1n[nH]cc1	EMOLS-id_111771390	394.512	QZCKZMKTHIHDJH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110965
O=C(C1CCCN1S(=O)(=O)c1cccs1)N1CCCc2c(C1)cnn2C	EMOLS-id_101671328	394.512	ZPVYSQZZDUHAKI-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-110966
O=C(c1[nH]cc(c1)S(=O)(=O)N1CCCC1)Nc1nc2c(s1)CCCCC2	CoCoCo_4546235,MCULE-5800183122,PC-id_16606451,EMOLS-id_14006060	394.512	PGNCZWINGNYZIQ-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-110967
O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCCc2c(C1)cnn2C	EMOLS-id_101669269	394.512	VTAZBUQJGSOZPH-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-110968
O=C([C@H](Sc1nnc2n1CCCCC2)C)c1ccc(cc1)NS(=O)(=O)C	CoCoCo_3654425,PC-id_8170119	394.512	RWSQUTNMWYIPLJ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110969
O=C([C@@H](Sc1nnc2n1CCCCC2)C)c1ccc(cc1)NS(=O)(=O)C	PC-id_8170118,CoCoCo_3654426	394.512	RWSQUTNMWYIPLJ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110970
O=C(CN(S(=O)(=O)c1cccnc1)C)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98551061	394.512	FRYIPYJWVYZYKU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-110971
O/C(=CSc1nnc2n1CCCCC2)/c1ccc(cc1)N(S(=O)(=O)C)C	CoCoCo_3854814,CoCoCo_3854817	394.512	IKWGKYNSHCZAEX-QINSGFPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110972
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccc(cc1)N(S(=O)(=O)C)C	CoCoCo_3854815,CoCoCo_3854816	394.512	IKWGKYNSHCZAEX-NTCAYCPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110973
O/C(=C(/Sc1nnc2n1CCCCC2)C)/c1ccc(cc1)NS(=O)(=O)C	CoCoCo_3654428,CoCoCo_3654429	394.512	TVUKUJRTMFWAHP-FOWTUZBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110974
O/C(=C(Sc1nnc2n1CCCCC2)/C)/c1ccc(cc1)NS(=O)(=O)C	CoCoCo_3654430,CoCoCo_3654427	394.512	TVUKUJRTMFWAHP-VBKFSLOCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110975
O=C(C(Sc1nnc2n1CCCCC2)C)c1ccc(cc1)NS(=O)(=O)C	EMOLS-id_3610025,MCULE-2094105595,PC-id_16309802	394.512	RWSQUTNMWYIPLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-110976
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)cnn1)C(=O)OC	PC-id_8987849	394.512	DAYLHGDNPUKKMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110977
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C)cnn1)C(=O)OCC	PC-id_3404635	394.512	BBHOGPPIBPMSLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110978
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C)C)C(=O)OC	PC-id_8337883	394.512	TUKOQOOXBZJOGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110979
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C)cnn1)C(=O)OC	PC-id_19644082	394.512	DTVXSKYEPOWWOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-110980
s1c2CCCCCCc2c(c1NC(=O)CSC1NC(O)CC(=O)N1)C#N	PC-id_73380451	394.512	XLOPRKSMULYZSO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-110981
S(c1n2CCCCCc2nn1)CC(=O)Nc1sc(c(c1)C)C(=O)OCC	PC-id_43036580	394.512	XOJJAJRFPQLTGI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-110982
S(c1n2CCCCCc2nn1)CC(=O)Nc1sc(c(c1C(=O)OC)C)C	PC-id_7876869	394.512	XMTOGYLODFVLGT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-110983
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(O)cc1)C(C)C)C	PC-id_74807424	394.512	BSYJQZTXGPGCPQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-110984
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1c(O)cccc1)C(C)C)C	PC-id_74806153	394.512	HAPZIOYHZYVAAU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-110985
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(O)cc1)C(C)C)C	PC-id_42483071	394.512	BSYJQZTXGPGCPQ-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-110986
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(O)cc1)C(C)C)C	PC-id_42483073	394.512	BSYJQZTXGPGCPQ-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-110987
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(O)cccc1)C(C)C)C	PC-id_42468156	394.512	HAPZIOYHZYVAAU-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-110988
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(O)cccc1)C(C)C)C	PC-id_42468158	394.512	HAPZIOYHZYVAAU-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-110989
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3cc4c(cccc4)[nH]3)CCn12	MCULE-3401030447,EMOLS-id_232773083,PC-id_45932443	394.513	FYJCZEKPOMHNTE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-110990
c1(C(=O)Nc2ccc3c(c2)nc(n3CCCN(C)C)C)c2CCCCCc2n[nH]1	PC-id_75489962,STOCK7S-46868,ZINC22_96231583,EMOLS-id_49248184,MCULE-6446180459,EMOLS-id_50403529	394.513	NHHBSKSRKMPEDZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110991
c1(NC(=O)c2c(C)nc(c3cccnc3)s2)sc2c(CCCCC2)c1C#N	ZINC22_20607234,MCULE-7340798946,PC-id_19617221,EMOLS-id_8874038	394.513	KLGMDYGZRXGFBM-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-110992
CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)CCc1cc2CNCCCn2n1	ZINC22_72468166,EMOLS-id_43154205,PC-id_70765705,MCULE-2588891649	394.513	SEPXURAYIHCDGW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110993
CCNC(=NCc1oc2c(c1C)cccc2)NCCc1nnc2n1CCCCC2	PC-id_111603017	394.513	MPSJLUJWWKDDNQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110994
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2	ZINC22_12455773	394.513	FYJCZEKPOMHNTE-HXUWFJFHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-110995
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2	ZINC22_12455774	394.513	FYJCZEKPOMHNTE-FQEVSTJZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-110996
CN=C(NC(c1cc2c(o1)cccc2)C)NCCCc1nnc2n1CCCCC2	PC-id_111378217	394.513	GQLHJOYHXRFTBY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110997
CN=C(N(Cc1cc2c(o1)cccc2)C)NCCCc1nnc2n1CCCCC2	PC-id_111694844	394.513	ORMSOLFNNJLMLH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110998
CN=C(NCc1oc2c(c1C)cccc2)NCCCc1nnc2n1CCCCC2	PC-id_111603649	394.513	BFNDEHWQTKLXHL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-110999
COc1cccc(c1)C1=CCN(CC1)C(=NC)NCc1nnc2n1CCCCC2	PC-id_120048731	394.513	WIGTVJBUWFKBSF-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-111000
COc1ccc(cc1Cn1ccnc1C)CN(C1CCc2n(CC1)c(nn2)C)C	EMOLS-id_168607877,MCULE-9471220463	394.513	RFQCJOLGWCWSIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111001
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)CC1CCC=CC1	PC-id_45201944,ChEMBL-DNDi_CHEMBL35517382,EMOLS-id_20536927,MCULE-2171703485	394.513	KCMHTLTWNUVWOY-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-111002
O=Cc1sc2c(c1N=CNC1=Cc3ccsc3C=CC1)c(ccn2)N(C)C	PC-id_143160232	394.513	JCVIIPNVLVAOTL-UHFFFAOYSA-N	00000000100000100110000001000010000000000000000000000000	31-01-111003
O=C(CCc1cccnc1)NCc1nnc2n1CCN(C[C@@H]1CC=CCC1)CC2	CoCoCo_1324712,ZINC22_12156191,CoCoCo_1324710	394.513	KCMHTLTWNUVWOY-LJQANCHMSA-N	00000000100011101101000000000010000000000000000000000000	31-01-111004
O=C(CCc1cccnc1)NCc1nnc2n1CCN(C[C@H]1CC=CCC1)CC2	CoCoCo_1324713,CoCoCo_1324711,ZINC22_12156183	394.513	KCMHTLTWNUVWOY-IBGZPJMESA-N	00000000100011101101000000000010000000000000000000000000	31-01-111005
O=C(NCc1nnc2n1CCCCC2)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1	ZINC22_1615045191	394.513	DQYQTFCCSAARAE-MOPGFXCFSA-N	00000010100000110101000000000110000000000000000000000000	31-01-111006
O=C(NCc1nnc2n1CCCCC2)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1	ZINC22_579467061,EMOLS-id_316874670,MCULE-5431507894	394.513	DQYQTFCCSAARAE-RBUKOAKNSA-N	00000010100000110101000000000110000000000000000000000000	31-01-111007
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCSc1n(nnn1)C	PC-id_52411389	394.515	OAIMXBVQLJAYIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111008
CN=C(NCc1nnc2n1CCCCC2)NCCCn1c(C)nc2c1cccc2	PC-id_111351788	394.516	FWUIVSNRFNJYAD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111009
CCC(c1cc(F)ccc1C)(CC(C1CC1)(Cc1cc2c([nH]1)C=NC=CC2)O)C	PC-id_143024699	394.525	GIXPRHPRSDOBIF-UHFFFAOYSA-N	00100000100000110110000000000010000000000000000000000000	31-01-111010
CCOC(=O)c1c2c(CCCCC2)sc1NC(=O)CN1CC(C)OC(C)C1	MCULE-1779837003,PC-id_3597740	394.528	XLMWTJSHQSHNCZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-111011
CCOC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)sc2c1CCCCC2	CoCoCo_4651370,CoCoCo_4651367,PC-id_1276727,ZINC22_12883104	394.528	XLMWTJSHQSHNCZ-OKILXGFUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-111012
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Cc1cc(C(=O)[C@@H](C)Sc2nnc3n2CCCCC3)c(C)n1c1ccccc1	CoCoCo_3082094,ZINC22_6098052,PC-id_7877334	394.533	TYORIUZTZYXBRF-QGZVFWFLSA-N	00000000110000110101100000000010000000000000000000000000	31-01-111032
Cc1cc(C(=O)[C@H](C)Sc2nnc3n2CCCCC3)c(C)n1c1ccccc1	PC-id_7877335,ZINC22_6098053,CoCoCo_3082093	394.533	TYORIUZTZYXBRF-KRWDZBQOSA-N	00000000110000110101100000000010000000000000000000000000	31-01-111033
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1Cc1ccccc1	CoCoCo_3082049,ZINC22_6097995,EMOLS-id_11831717,MCULE-1396348707,PC-id_7877292	394.533	BFDXSUCGFYIPRH-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-111034
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1cccc(c1)C	SCHEMBL15002035,PC-id_89607947	394.533	SGNPFDLQXHDDRU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111035
CC(C)c1ccc(c2nc(CC(=O)N3CCCc4c(cnn4C)C3)cs2)cc1	ZINC22_665949475	394.533	LMPVINGGNZBOIL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111036
CCCc1ccc(cc1)C(c1cccs1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319003755	394.533	AENUVBNOYRTWBC-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-111037
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C/C(=C(/c1cc(n(c1C)c1ccccc1)C)O)/Sc1nnc2n1CCCCC2	CoCoCo_3082097,CoCoCo_3082096	394.533	XARPZFYJNQAXJB-HEHNFIMWSA-N	00000000110000110101100000000010000000000000000000000000	31-01-111039
C/C(=C(c1cc(n(c1C)c1ccccc1)C)/O)/Sc1nnc2n1CCCCC2	CoCoCo_3082098,CoCoCo_3082095	394.533	XARPZFYJNQAXJB-FXBPSFAMSA-N	00000000110000110101100000000010000000000000000000000000	31-01-111040
CC(C(=O)c1cc(n(c1C)c1ccccc1)C)Sc1nnc2n1CCCCC2	MCULE-1868900580,EMOLS-id_11807594,PC-id_16361712	394.533	TYORIUZTZYXBRF-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-111041
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Cc1scc(n1)c1ccc(s1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948637	394.535	VTTJUAYUTKIVPF-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-111050
CC(C)NC(=O)CN1CCN(C(=O)CSc2nnc3n2CCCCC3)CC1	CoCoCo_3854803,ZINC22_14122773,MCULE-8926218286,PC-id_17562917,EMOLS-id_13484104	394.535	LAUFZYROAHJYBQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-111051
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s1c2c(CCCCCC2)c(c1NC(=O)CN1CC[NH+](CC1)CC)C(=O)OC	PC-id_51608423	394.551	VWOCDBWYARCHEG-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-111062
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CC(Cc1ccc(cc1)C(=O)C1CCN(CC1)Cc1nnc2n1CCCCC2)C	EMOLS-id_100893651	394.553	OCXWQPXKGLSRLZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111064
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s1c2CCCCCc2cc1C(=O)N(CC=C)c1scc(n1)c1ccccc1	PC-id_18290436	394.553	WABGGERDZKPMPX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111068
c1(NC(=O)CCCCC2SCC3C2NC(=O)N3)sc2c(CCCCC2)n1	PC-id_56920426,EMOLS-id_43344846,CNP0398313,MCULE-2212714364	394.555	AIQMZNCANSZWTQ-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-111069
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c1(NC(=S)NC2CCCCC2)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-8902911979,TIMTEC325134,EMOLS-id_4073051,PC-id_3273006,ZINC22_5979987,CoCoCo_6799925	394.594	NAHCZLFYCVLPGL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111095
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CCCCC1CC	TIMTEC323103,PC-id_3295523,EMOLS-id_4073059,MCULE-9596335030	394.594	MYBIIMVJFWFRMN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111096
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1C(C)CCCC1C	PC-id_3267747,TIMTEC222488,MCULE-4177485348,EMOLS-id_4073045	394.594	IPZTYZCJZSTMQT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111097
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CC(C)CC(C)C1	PC-id_3268004,MCULE-1436810007,TIMTEC123460,EMOLS-id_4073049	394.594	DJJDELITCURDFD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111098
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCCCC1C	EMOLS-id_4073053,PC-id_3275863,TIMTEC283301,MCULE-3664754116	394.594	LFPUQKJUSAWUSP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111099
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCCC(C)C1	TIMTEC112034,EMOLS-id_4073055,MCULE-1938031641,PC-id_3277488	394.594	CWPSWBXERZHVIN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111100
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCCCCC1	TIMTEC248981,PC-id_3293903,MCULE-2999917337,CoCoCo_6800466,ZINC22_6595169,EMOLS-id_4073057	394.594	JTNUWQRKNCWYSD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111101
CCOC(=O)c1c(NC(=S)N2CCCC[C@@H]2CC)sc2c1CCCCC2	PC-id_40629632,ZINC22_6603958,CoCoCo_6800489	394.594	MYBIIMVJFWFRMN-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111102
CCOC(=O)c1c(NC(=S)N2CCCC[C@H]2CC)sc2c1CCCCC2	ZINC22_6603559,CoCoCo_6800488,PC-id_40629572	394.594	MYBIIMVJFWFRMN-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111103
CCOC(=O)c1c(NC(=S)N2CCCC[C@H]2C)sc2c1CCCCCC2	CoCoCo_6799970,ZINC22_5979966,PC-id_40575826	394.594	LFPUQKJUSAWUSP-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111104
CCOC(=O)c1c(NC(=S)N2CCCC[C@@H]2C)sc2c1CCCCCC2	CoCoCo_6799971,PC-id_40575824,ZINC22_5979964	394.594	LFPUQKJUSAWUSP-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111105
CCOC(=O)c1c(NC(=S)N2CCC[C@@H](C)C2)sc2c1CCCCCC2	CoCoCo_6800371,ZINC22_5979968,PC-id_40575828	394.594	CWPSWBXERZHVIN-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111106
CCOC(=O)c1c(NC(=S)N2CCC[C@H](C)C2)sc2c1CCCCCC2	PC-id_40575827,CoCoCo_6800372,ZINC22_5979967	394.594	CWPSWBXERZHVIN-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111107
CCOC(=O)c1c(NC(=S)N2C[C@@H](C)C[C@@H](C)C2)sc2c1CCCCC2	PC-id_27736588,ZINC22_17750956,CoCoCo_6799908	394.594	DJJDELITCURDFD-OKILXGFUSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111108
CCOC(=O)c1c(NC(=S)N2C[C@@H](C)C[C@H](C)C2)sc2c1CCCCC2	PC-id_40575831,CoCoCo_6799907,ZINC22_5979977	394.594	DJJDELITCURDFD-KBPBESRZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111109
CCOC(=O)c1c(NC(=S)N2C[C@H](C)C[C@@H](C)C2)sc2c1CCCCC2	ZINC22_5979974,PC-id_40575829,CoCoCo_6799906	394.594	DJJDELITCURDFD-ZIAGYGMSSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111110
CCOC(=O)c1c(NC(=S)N2[C@@H](C)CCC[C@@H]2C)sc2c1CCCCC2	CoCoCo_6799895,ZINC22_5979984,PC-id_40575835	394.594	IPZTYZCJZSTMQT-KBPBESRZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111111
CCOC(=O)c1c(NC(=S)N2[C@@H](C)CCC[C@H]2C)sc2c1CCCCC2	PC-id_27521895,ZINC22_17080713,CoCoCo_6799894	394.594	IPZTYZCJZSTMQT-OKILXGFUSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111112
CCOC(=O)c1c(NC(=S)N2[C@H](C)CCC[C@H]2C)sc2c1CCCCC2	ZINC22_5979982,PC-id_40575833,CoCoCo_6799896	394.594	IPZTYZCJZSTMQT-ZIAGYGMSSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111113
s1c2c(CCCCC2)c(c1NC(=S)NC1CCC(CC1)CC)C(=O)OC	PC-id_20179845	394.594	UWYAVUYVPKJVIC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111114
s1c2c(CCCCC2)c(c1NC(=S)NC1C(CCCC1)C)C(=O)OCC	PC-id_19652618	394.594	RVVMVBRSGXFKAV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111115
s1c2c(CCCCC2)c(c1NC(=S)NC1CCC(CC1)C)C(=O)OCC	PC-id_20179766	394.594	PGBHDVBQHBHQIO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111116
s1c2c(CCCCC2)c(c1NC(=S)NC1CCCCCC1)C(=O)OCC	PC-id_19650493	394.594	BJSODKIJKYXBCD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111117
s1c2c(CCCCC2)c(c1NC(=S)NC1CCCCCCC1)C(=O)OC	PC-id_17300422	394.594	KYUNEUFIPMWQOP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111118
s1c2c(CCCCCC2)c(c1NC(=S)N1C(CCCC1)CC)C(=O)OC	PC-id_17269280	394.594	IIYZAUCPQXACIO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111119
s1c2c(CCCCCC2)c(c1NC(=S)N1CC(CC(C1)C)C)C(=O)OC	PC-id_17300425	394.594	WDTWFTGTKBDUHE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111120
s1c2c(CCCCCC2)c(c1NC(=S)N1C(CCCC1C)C)C(=O)OC	PC-id_19654038	394.594	LEPLPSLIJZYXFC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111121
s1c2c(CCCCCC2)c(c1NC(=S)N1CCC(CC1)C)C(=O)OCC	PC-id_17300424	394.594	MUDMECAODFAMOU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111122
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCC(CC1)C)C(=O)OC	PC-id_17300420	394.594	BWEPLTBIWQQPCP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111123
s1c2c(CCCCCC2)c(c1NC(=S)NC1C(CCCC1)C)C(=O)OC	PC-id_19652611	394.594	QECAMWDMBFXRRW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111124
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCCCCC1)C(=O)OC	PC-id_19650486	394.594	WBBPLCGTZNYJPJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111125
s1c2c(CCCCCCCCCC2)c(c1NC(=S)NC=C)C(=O)OCC	PC-id_23989449	394.594	HXVCCKXFFCVDIE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111126
C(CCCCCCc1c2-c(cc1)cc(C(C)C)ccc2)CCCCCCCCC	PC-id_19815774	394.676	ZFBHGQYTVWQIGM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111127
C(CCCCCCCCc1c2-c(cc1)ccccc2)CCCCCCCCCC	PC-id_19815746	394.676	JKZWYYXLIIDKKR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111128
C(CCCCCCCCCC)CCCCCCCc1c2-c(cc1)ccc(cc2)C	PC-id_19996678	394.676	ZNFQPIDLHBKAJP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111129
Clc1cc(C=C(c2n3CCCCCc3nn2)C#N)cc(OC)c1OC(F)F	PC-id_78650376	394.803	MDKYUVNUZLFXMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111130
Clc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc(OC)c1OC(F)F	PC-id_8275467	394.803	MDKYUVNUZLFXMT-KPKJPENVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111131
Fc1ccc(c(c1)Cl)C1OCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102167182	394.831	VMNAZJLYVASNRA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-111132
O=C(N1CCOC(C1)c1ccc(c(c1)Cl)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102159130	394.831	MLJRQFYATFTDKA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-111133
Clc1ccc(Nc2sc3c(n2)c(C=C2C(=O)C=CC=C2)c(=O)nnc3)cc1	PC-id_73318240	394.834	WPNUOIHDRZXKGN-UHFFFAOYSA-N	00000000100011110111000000000010000000000000000000000000	31-01-111134
Clc1cc(Nc2sc3c(n2)c(C=C2C(=O)C=CC=C2)c(=O)nnc3)ccc1	PC-id_73318262	394.834	JXYXZTPDGPAFFY-UHFFFAOYSA-N	00000000100011110111000000000010000000000000000000000000	31-01-111135
Clc1c(Nc2sc3c(n2)c(C=C2C(=O)C=CC=C2)c(=O)nnc3)cccc1	PC-id_73318239	394.834	XJBUSIVVEPYDOA-UHFFFAOYSA-N	00000000100011110111000000000010000000000000000000000000	31-01-111136
COCCn1nc2CCN(CCn2c1=O)C(=O)COc1ccc(Cl)cc1C	EMOLS-id_50589993,MCULE-8252986820,PC-id_91910660	394.853	ZXTGHUACYCKHOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111137
c12C(=O)N(CCCn1nc(C(=O)Nc1cccc(Cl)c1)c2)Cc1ccccc1	MCULE-1502641424,EMOLS-id_32632758,PC-id_53034482	394.854	ILCXWZNBHDIMAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111138
Fc1ccc(C2OCCO2)c(Cl)c1CNCCc1nnc2n1CCCCC2	EMOLS-id_53812925,ZINC22_225660765,MCULE-5620173798,PC-id_100714264	394.871	VCPPHVQUGRQDCQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111139
Clc1ccc2c(c1)C(CS2(=O)=O)N(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_100986331	394.872	QVWXMJQSGSKLRB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-111140
Clc1cccc(c1)C(=O)N1CC(C1)S(=O)(=O)N1CCCc2c(C1)cco2	EMOLS-id_99305864	394.872	SONSFAXNLIWMRG-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-111141
Clc1c(CN2CC[NH+](CC2)Cn2nc3n(c2=O)CCCCC3)c(F)ccc1	PC-id_30959122	394.894	RWKRIHQSWFWPHQ-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-111142
Clc1sc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_42980577	394.896	GCVKKPSKDSDYTL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-111143
C/C=C(C=C
/C(C)N(CCc2c1nc([nH]2)C)C(=O)c1ccc(c(c1)C)C#N)/Cl	PC-id_143188939	394.897	PDNDXHWRVDPUDB-PHEXCGINSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111144
Clc1ccc(CN(c2n3CCCCCc3nn2)CC(=O)c2ccccc2)cc1	PC-id_1538789	394.897	COYXWQHGBCHDBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111145
O=C(C1CCn2c(CC1)nnc2)NC(c1ccccc1)Cc1ccccc1Cl	EMOLS-id_319396455	394.897	ZISKIBPROWCYKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111146
Clc1c(cc(NC(=O)C(Sc2n3CCCCCc3nn2)C)c(OC)c1)C	EMOLS-id_11818828,MCULE-3990701469,PC-id_16369088	394.919	GNXXWLLFEFRHAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111147
Clc1ccc(OCCN(C(=O)CSc2n3CCCCCc3nn2)C)cc1	PC-id_8379257	394.919	HJSDRRRUBFKSGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111148
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1nnc2n1CCCCC2	CoCoCo_4173149,ZINC22_9593837,PC-id_41138368	394.919	GNXXWLLFEFRHAI-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111149
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2	CoCoCo_4173150,ZINC22_12569642,PC-id_25363788	394.919	GNXXWLLFEFRHAI-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111150
c1(NC(=O)CSc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)N	SPECS-id_AP-970/42446127,MCULE-1756738806,PC-id_2200898,SPECS-id_AN-153/I212430,CoCoCo_978207,ZINC22_2846360,EMOLS-id_1775554	394.939	NLYQVLWTAIQIGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111151
Clc1ccc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_20408798	394.939	RRRNTMVAKLBHMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111152
Clc1ccc(N/N=C/2C(CCSc3sc(cc23)CC)CC(=O)O)cc1	PC-id_10572741	394.939	YKDORZIXMMOEPF-HEHNFIMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111153
Clc1ccc(NN=C2C(CCSc3sc(cc23)CC)CC(=O)O)cc1	PC-id_85190135	394.939	YKDORZIXMMOEPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111154
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_20409004	394.939	KKVBXKJPSYKVAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111155
Clc1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc(SC)cc1	PC-id_43004227	394.939	ZVCWGOYTRDIPBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111156
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1	PC-id_17300443	394.939	MYUNWPDFZWFPGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111157
Clc1sc(C[NH+](CC(=O)Nc2sc3c(CCCCC3)c2C#N)C)cc1	PC-id_40811295	394.962	PYQKKEJGXYLCBH-UHFFFAOYSA-O	00000000100100000100000000000010000000000000000000000000	31-01-111158
CN=C(N(Cc1ccc(s1)Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111363277	394.965	ILOFYKVIFGRFSX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-111159
Ic1c2-c(c(c1N)I)ccccc2	PC-id_102098656	394.978	SOYKLFQNLUGVQX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111160
CCC(=O)C1=NN2CCCN(CC2=C1)C(=O)OCC3=CC(=CC(=C3)Cl)Cl	PC-id_161621795	395.08	WWABUPRCJUUFRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111161
CC(C)(C)OC(=O)N1CCc2c(Br)nc(Br)n2CC1	EMOLS-id_48540565,ZINC22_306129105,MCULE-1908164688	395.09	HUTPZSGWMGPOHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111162
s1c2CCN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCc2cc1	PC-id_85814562	395.559	NZGFHIBBLYYKBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111609
CC1(CN(C=C(C2=NNC(=C21)C(F)(F)F)C(=O)O)C(=O)C3=CC=C(C=C3)O)C	PC-id_164031530	395.109	VIKJMNBHFGOFQU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-111163
CCOC(=O)N1CCc2c(C(=C1)C)c(c(s2)Br)Br	PC-id_143514221	395.11	GPPIKEDLUWIHHY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-111164
CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)CC(=O)C(F)(F)F	PC-id_161743595	395.117	XLKYHMNIIGXORE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111165
C=C1[C@H](CCn2c(ccn2)N1)NC(=O)c1nn(cn1)CC1CC(C1)C(F)(F)F	PC-id_163687496	395.168	JQCJWXKORSQZKU-BPCQOVAHSA-N	00001000100000000101000000000010000000000000000000000000	31-01-111166
CC(C)N1C2=C(NC(=O)[C@H](CO2)CC(=O)C3=NNC(=N3)CC4=CC=CC=C4)N=N1	PC-id_161188307	395.171	UTJLXJUVWBQFAW-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111167
Cc1nn2CC[C@@H](C(=O)N(c2c1)C)NC(=O)c1nn(cn1)CC(CCF)CF	PC-id_163540613	395.188	FAULTLPKWLOXII-ABLWVSNPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111168
C1CCC(C1)OC(=O)N2C[C@@H]3[C@H](C2)C3CCNC(=O)C4=CC5=CC=CC=CC5=[O+]4	PC-id_153560058	395.197	ULWOUFXDSHGSBR-YQQQUEKLSA-O	00100010100000000110010000000010000000000000000000000000	31-01-111169
CC1=C2C(=C(S1)C)OCC(CO2)(C)COC3=CN=NN3CCC[N+](C)(C)C	PC-id_154586887	395.211	WLVLMHDGNAFEFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111170
Brc1cc(F)c2c(c1)CCN2C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102165172	395.23	WLRDCWCIORBZKM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-111171
CCC1C=C(C=C2C(=C1)NC(=C2C(=N/C(=C/N)/C=NC)C)O)C(=C(C)N)C(=O)C	PC-id_153556857	395.232	AMJFXYWNNZPPRI-BGDCAISGSA-N	00000000100000000110000000000010000000000000000000000000	31-01-111172
c1(C(=O)Nc2ccc(cc2C)I)c2CCCCCc2[nH]n1	MCULE-1279716212,EMOLS-id_335088034	395.238	WBJUIVRSSAMQQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111173
c1(C(=O)Nc2ccc(cc2I)C)c2CCCCCc2[nH]n1	EMOLS-id_335100841,MCULE-3668833838	395.238	FFQCMWQDOBGPGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111174
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)CCOC	PC-id_155171359	395.242	PCAWWDIBNMWQCS-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111175
CCCCOC(=O)c1c2-c(c(c1OC)C(=O)OC)cc(ccc2)Br	PC-id_141346810	395.244	OLVNKMVLWWXGFM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111176
CCCOC(=O)c1c2-c(c(c1OCC)C(=O)OC)cc(ccc2)Br	PC-id_141346802	395.244	HVLHOTVANAUFFT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111177
CCCOC(=O)c1c(OC)c(c2-c1cccc(c2)Br)C(=O)OCC	PC-id_141346803	395.244	LCRPGZXVHHTBCX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111178
CCOC(=O)c1c(OCC)c(c2-c1cc(Br)ccc2)C(=O)OCC	PC-id_141346798	395.244	PDJPVYAHQFJQQS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111179
Brc1ccc(c(c1)F)[C@@H](NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101686787	395.269	ZCLHBPMTYCKYMA-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-111180
Brc1ccc(c(c1)F)[C@H](NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101710355	395.269	ZCLHBPMTYCKYMA-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111181
Brc1cc(CC(=O)NCCc2n3CCCCCc3nn2)ccc1F	PC-id_52366899	395.269	YSDYMJAXTLTWMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111182
O=C1CN(Cc2c(N1)sc(c2Br)C)C(=O)OCc1ccccc1	SCHEMBL19260565	395.271	MEBSPUTXJIILTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111183
O=C(CN1C(=O)CCCc2sccc12)Nc1ccc(Br)c(O)c1	ZINC22_2325747741	395.271	HISDMQLYJZXIDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111184
N#Cc1c(Br)cccc1S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950917	395.274	VMENGWWPTGHQLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111185
N#Cc1cc(Br)cc(c1)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948598	395.274	RWDJBIDNUIQSDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111186
N#Cc1ccc(cc1Br)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101950899	395.274	VKICYSUUGMCVGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111187
Clc1cc(Cl)c2c(c1)C(C(C2)O)N(C(=O)c1noc2c1CCCCC2)C	EMOLS-id_100319035	395.28	PLBYJZKSBHJYSK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-111188
O=C(c1noc2c1CCCCC2)N1CCOC(C1)c1ccc(c(c1)Cl)Cl	EMOLS-id_100105674	395.28	YVPWCIWTIBURPT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-111189
Clc1ccc(Cl)c(c1)C(=O)NCC(=O)NCc1n[nH]c2CCCCCc12	MCULE-9328476207,ZINC22_670471118,EMOLS-id_222789868	395.283	OYJQVTCKBGSIKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111190
Clc1cc(Cl)c2c(c1)C(C(C2)O)N(C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_278781386	395.283	DSQSPWDBYVKTOX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-111191
Clc1cnc(c(c1)Cl)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111825243	395.283	MJTKHHUSCAEENG-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-111192
O=C(N1CCOC(C1)c1ccc(c(c1)Cl)Cl)C1CCn2c(CC1)nnc2	EMOLS-id_319517022	395.283	ZUPCOAHBQKBHRA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-111193
O=C(N1CCCC1c1ccc(c(c1)Cl)Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102158875	395.286	KYUSNZPHSNPJHP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111194
O=C(NC1(CCC1)c1c(Cl)cccc1Cl)NC1CCn2c(CC1)nnn2	EMOLS-id_102168946	395.286	IEZKRVQJCPQZLE-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-111195
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Nc1n(C)nc(c1Br)C	EMOLS-id_318240173	395.297	WXZLRWWZOXSQTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111196
COC(=O)c1c2-c(c(c1NC(=O)C)C(=O)OC)ccc(cc2)CP(=O)(O)O	PC-id_141580599	395.3	UJYTZERKPNPRIA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111197
P(=O)(OC)(OC)Cc1ccc2-c(c(OC=O)c(NC(=O)C)c2OC=O)cc1	PC-id_57069403	395.3	RVPLTYIGABEEKI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111198
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C#N	EMOLS-id_5386556,PC-id_4411467,ZINC22_2749103,MCULE-1248277257,CoCoCo_4975658	395.303	QHYVQPOEPIHDLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111199
Clc1c(OCC(=O)Nc2sc3CCCCCc3c2C#N)cc(Cl)cc1	PC-id_16556298	395.303	RHEUIHKYPHEQBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111200
Clc1c(OCC(=O)Nc2sc3CCCCCc3c2C#N)c(Cl)ccc1	GD-id_ZINC23055569,PC-id_24684704	395.303	JBWKQXJJVGYOCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111201
C1CCc2nnc(n2CC1)/C(=C(/CSc1c(cccc1Cl)Cl)O)/C#N	PC-id_135666965	395.306	FQSNASQJEKWLAP-KAMYIIQDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111202
Clc1c(SCC(=O)C(=C2N3CCCCCC3=NN2)C#N)c(Cl)ccc1	PC-id_78739100	395.306	KKTRVXWDEIPPTE-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-111203
Clc1c(SCC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)c(Cl)ccc1	PC-id_8621519	395.306	KKTRVXWDEIPPTE-GZTJUZNOSA-N	00000011000000110111000000000010000000000000000000000000	31-01-111204
Brc1c(ccc(NC(=O)CSc2n3CCCCCc3nn2)c1)C	PC-id_7877562	395.317	PRIDHCNNGMZASC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111205
Brc1ccc(NC(=O)[C@@H](Sc2n3CCCCCc3nn2)C)cc1	PC-id_7877020	395.317	YPIOQCUXLLQDDH-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-111206
Brc1ccc(NC(=O)[C@H](Sc2n3CCCCCc3nn2)C)cc1	PC-id_7877022	395.317	YPIOQCUXLLQDDH-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111207
Brc1c(cc(NC(=O)CSc2n3CCCCCc3nn2)cc1)C	PC-id_2556103	395.317	AVWLTJJNUMRWIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111208
Brc1ccc(NC(=O)C(Sc2n3CCCCCc3nn2)C)cc1	PC-id_24371210	395.317	YPIOQCUXLLQDDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111209
Brc1ccc(SCC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266287	395.317	BDAZWNRGRIGDKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111210
Brc1c(NC(=O)CSc2n3CCCCCc3nn2)ccc(c1)C	PC-id_7877512	395.317	WPDAWJDGAFADNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111211
Brc1scc(c1)CN(C(=O)C1CCn2c(CC1)nnc2)C1CC1	EMOLS-id_319551283	395.317	NRMVMIXXPWOTJI-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-111212
Brc1sc(/C=C/C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55554089	395.317	RHZYAMMSCIUPRK-SOFGYWHQSA-N	00000000100100000101000000000010000000000000000000000000	31-01-111213
Brc1sc(C=CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_76245475	395.317	RHZYAMMSCIUPRK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-111214
Clc1cc(Cn2c3C(CCCCc3nc2C(C)C)CC(=O)O)ccc1Cl	SCHEMBL2475292,PC-id_46829884	395.323	AIXHSZMMZJUBJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111215
CCCN(C(c1ccc(c(c1)Cl)Cl)C)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_257961478	395.326	IEMYPDCKKNOPNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111216
Clc1cc(CCCC(=O)NCCc2n3CCCCCc3nn2)ccc1Cl	PC-id_55823280	395.326	YCBKMNDBRKNSCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111217
O=C(C(N1CCCc2c(C1)cnn2C)C)NC(c1ccc(cc1Cl)Cl)C	EMOLS-id_318103352	395.326	QTBDUBMUIWWWLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111218
CCNC(=NCc1ccc(cc1Cl)Cl)NCc1nnc2n1CCCCC2	PC-id_111197954	395.329	SPZXXTNPTHPKKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111219
CN=C(N(Cc1ccc(c(c1)Cl)Cl)C)NCc1nnc2n1CCCCC2	PC-id_111306225	395.329	UTZWPPUSORGFBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111220
CN=C(NC(c1ccc(cc1Cl)Cl)C)NCc1nnc2n1CCCCC2	PC-id_111310384	395.329	BZRQMBKBWXSFBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111221
CN=C(NCc1ccc(cc1Cl)Cl)NCCc1nnc2n1CCCCC2	PC-id_111197576	395.329	JGMKXWZTSMACEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111222
NC(=NCCc1nnc2n1CCCCC2)NC(c1ccc(cc1Cl)Cl)C	PC-id_111039217	395.329	JQQJLEYYAGMIBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111223
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)Nc2ccccc2C(=O)OC)n1	ZINC22_1068068,CoCoCo_566068,ChEMBL-DNDi_CHEMBL7974938,MCULE-2535503634,EMOLS-id_2011152,PC-id_1256833,TIMTEC40696	395.376	AIFFZISXGDBBTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111224
O=C(C1CCn2c(CC1)nnc2)Nc1cc(ccc1C)C(=O)NCC(F)(F)F	MCULE-4783657591,EMOLS-id_316480644	395.379	YBIFNJSCJVEZDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111225
Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_71571032,SCHEMBL14965486	395.39	LGKLZTVKBHEMDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111226
N#Cc1c(NC(=O)c2ccc(OCC(F)(F)F)nc2)sc2c1CCCCC2	EMOLS-id_44521421,ZINC22_84425469,MCULE-7341433736,PC-id_71900015	395.399	RZCGQKLQCLXPQN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-111227
N#Cc1c(NC(=O)Cn2cccc(C(F)(F)F)c2=O)sc2c1CCCCC2	EMOLS-id_33344011,PC-id_39040333,MCULE-5537547142,ZINC22_31813470	395.399	WISJGEVBFNJMAO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-111228
N#Cc1c(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)sc2c1CCCCC2	MCULE-6959836785,EMOLS-id_35678944,PC-id_38846303,ZINC22_31625260	395.399	OGYYWLBDZGXQKD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-111229
S(c1n2CCCCCc2nn1)Cc1onc(n1)c1ccc(cc1)C(F)(F)F	PC-id_30386702	395.402	ZSPMFIWMOZVPSI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111230
C1Cn2cc(nc2OCC1OCc1ccc(cc1)OCc1ccccc1)[N+](=O)[O-]	PC-id_137637352	395.409	NSHORQOFCYMJTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111231
C1COc2nc(cn2CC1OCc1ccc(cc1)OCc1ccccc1)[N+](=O)[O-]	PC-id_137641364	395.409	KPIBIWBYXMUZLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111232
O=C1[C@H](CCc2c(N1C)cn(n2)C)NC(=O)c1nn(cc1F)Cc1cc[c+]cc1	PC-id_141654965	395.41	XRPRQCKMDUJQRX-INIZCTEOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-111233
COc1c(cccn1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965907,PC-id_89580261	395.412	ZZGKCIRYYGVDPR-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-111234
COc1ccc(cn1)c1ccc(cc1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965541,PC-id_89579996	395.412	CUIDXLOVEFBUBQ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-111235
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)c1ccc(cc1)Cn1cnnn1	EMOLS-id_46608702,MCULE-4878883874,ZINC22_95359155,PC-id_72856226	395.415	CPVAMYBMPRFMQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111236
C1C(Cn2c(cc(n2)C(=O)NCc2nncn2CCc2ccccc2)C(=O)N1)O	PC-id_135090674	395.415	QJDPQZJOOMMRGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111237
c1(CC(=O)N2CCn3c(CC2)nnc3Cc2cccnc2)c(C)[nH]c(=O)[nH]c1=O	ZINC22_1506425767,EMOLS-id_316251989,MCULE-7878174432	395.415	REJXHSYIKYDMBF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-111238
COc1ccccc1Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18367128	395.415	PZCVEFSVTVEPOT-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111239
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2ncn(C)n2)CCC3)cc1	EMOLS-id_313764553,ZINC22_1565556747	395.415	TUFZBYUXMFYPCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111240
O=C1Nc2cnn(c2OC[C@@H]1NC(=O)c1ncn(n1)Cc1ccccc1)C(C)C	SCHEMBL18372959	395.415	OXZOFQKDKCWXFU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111241
O=C1Nc2cnn(c2OC[C@@H]1NC(=O)c1nnc([nH]1)Cc1ccccc1)C(C)C	SCHEMBL18372674	395.415	ZZMXMRCVYUKPKQ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111242
OCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367305	395.415	FVQYPQKTXARMMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111243
OCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367337	395.415	FVQYPQKTXARMMW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111244
O=C(NCCc1n2CCCCCc2nn1)c1nn(c2ccc([N+](=O)[O-])cc2)cc1	PC-id_56150611	395.415	ZOKXDEBYUAKOFL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111245
CCn1c2=CCC(=CC=c2c(c1C#Cc1ccc(cc1)N(C)C)C#N)C(F)(F)F	PC-id_90824836	395.42	XATLEZVDFFOVST-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-111246
N#Cc1c(C#CC2=CC=C(C=CC2)N)n(c2=CC(=CCC=c12)CC(F)(F)F)CC	PC-id_143184987	395.42	YEMUDUGMOHRVPT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-111247
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1	PC-id_7351957	395.42	QQPSPVBWOWBFSW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111248
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(OC(F)F)cccc1	PC-id_7649855	395.42	JDEMIBKISXHDTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111249
CC(CC(=O)Nc1ccccc1C(F)(F)F)NCc1nnc2n1CCCCC2	MCULE-4767236588,PC-id_121846676,EMOLS-id_50952528	395.422	FOOGOTRJIWPMJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111250
C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1nnc2n1CCCCC2	ZINC22_121965641	395.422	FOOGOTRJIWPMJU-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111251
C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1nnc2n1CCCCC2	ZINC22_121965814	395.422	FOOGOTRJIWPMJU-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111252
C[C@@H](NC(=O)NCCc1nnc2n1CCCCC2)c1ccc(C(F)(F)F)cc1	PC-id_119045408,ZINC22_45867417,EMOLS-id_75991134,MCULE-7755615451	395.422	PUJOUNOLRCNGPU-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111253
FC(F)(F)c1ccc(CCNC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_52220575	395.422	WFJRAUWPBJYSNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111254
CC(C1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)C	SCHEMBL18352931	395.424	CPDVJTLWOHUILU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-111255
CC(N1C=Cc2c(S(=O)(=O)C1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)C	PC-id_139462801,SCHEMBL21327937	395.424	INGSHSXUGBVWAH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-111256
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)COc1cc(F)ccc1F	ZINC22_1565554916,EMOLS-id_313792051	395.424	KIGBVNAJEXWRFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111257
OC(C1CC1)C1COc2c(SN1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL21337019,PC-id_139471026	395.424	IVEQYAVXQLBJES-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111258
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1[O-]	PC-id_76603904	395.425	AGJJCLBOHJQGFA-UHFFFAOYSA-M	00000010100010110110100000000010000000000000000000000000	31-01-111259
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1[O-]	PC-id_57781366	395.425	AGJJCLBOHJQGFA-ZQGJOIPISA-M	00000010100010110110100000000010000000000000000000000000	31-01-111260
COC(=O)c1c(NC(=O)COC(=O)C2=COCCO2)sc2c1CCCCC2	EMOLS-id_11694805,MCULE-6204483270,ZINC22_3571177,CoCoCo_2967921,PC-id_2689463	395.427	IECQGJOKKKFGBS-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-111261
Fc1ccc(C(=O)N2CC(c3c([nH]c(c3)C#N)C(=C2)C(=O)OC(C)C)(C)C)cc1	SCHEMBL4227738,CHEMBL578150,PC-id_42611161,BindingDB_PC-id_42611161	395.427	DRLCFLSKFRZHIJ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-111262
Fc1cc(C(=O)N2CC(c3c([nH]c(c3)C#N)C(=C2)C(=O)OC(C)C)(C)C)ccc1	CHEMBL578970,BindingDB_PC-id_42601492,PC-id_42601492,SCHEMBL4231154	395.427	ZYFPATDFWJXJGF-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-111263
FC1(F)CC(C1)C(=O)N1CC(Cn2ncnc2C1)C(=O)NCc1cccs1	EMOLS-id_313722839	395.427	UNBSOUIAGBFDEA-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-111264
O=C(NCc1cccs1)[C@@H]1CN(C(=O)C2CC(F)(F)C2)Cc2ncnn2C1	ZINC22_1565546133	395.427	UNBSOUIAGBFDEA-GFCCVEGCSA-N	00001000100100000101000000000010000000000000000000000000	31-01-111265
O=C(NCc1cccs1)[C@H]1CN(C(=O)C2CC(F)(F)C2)Cc2ncnn2C1	ZINC22_1614928891	395.427	UNBSOUIAGBFDEA-LBPRGKRZSA-N	00001000100100000101000000000010000000000000000000000000	31-01-111266
S(c1n2CCCCCc2nn1)CC(=O)NCC(=O)Nc1cc(F)c(F)cc1	PC-id_18201418	395.427	XXHLHRVHMLOEFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111267
Cn1ncc2c1CCCN(C(=O)NCc1cc(Oc3ccc(F)cc3)ccn1)C2	MCULE-2055806300,EMOLS-id_316198442,ZINC22_413261956	395.43	SVVVACFOPOTUIN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-111268
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)Cc1ccccc1O	ChEMBL-DNDi_CHEMBL27068200	395.43	VJCJHHGBELRRBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111269
Fc1cccc(Cn2nc3CCCCC(C(=O)NCc4ccccn4)n3c2=O)c1	EMOLS-id_207869761,MCULE-7820926976	395.43	TVBHMMPWQCXDHF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-111270
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)C2(CCCC2)C#N)c1	ZINC22_1565556276,EMOLS-id_313765580	395.43	AURMIUJYQWPMQQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111271
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)CCc2ccc[nH]2)c1	ZINC22_1565556563,EMOLS-id_313765836	395.43	NPONOBPLIANMJZ-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-111272
Fc1ccc(CNC(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)cc1	PC-id_91910706,EMOLS-id_50590115,MCULE-4930509388	395.43	FPXLYOSUSLDXMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111273
s1c2CCCCCc2c(c1NC(=O)Cn1c(noc1=O)c1ncccc1)C#N	PC-id_56288626	395.435	JZAQPZSUBHBLBY-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-111274
C[C@@H](C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C)O	PC-id_140762671	395.448	RGUGUAZRPGFJGY-VPHXOMNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111275
C[C@@H]([C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C)O	SCHEMBL18353465	395.448	RGUGUAZRPGFJGY-XHDPSFHLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111276
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1N	PC-id_72423697	395.448	CASWSBVNKAXEHQ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-111277
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1N	SCHEMBL14590147,PC-id_58786213	395.448	CASWSBVNKAXEHQ-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-111278
O=C(c1n(C)cc2c1OC[C@@H](NS2=O)C(O)(C)C)Nc1ccc(c(c1)C)F	PC-id_139471386,SCHEMBL21337384	395.448	IEIPCOGUHQOSQM-VPTPNUDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111279
Cc1onc(c2ccc(F)cc2)c1C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_40073531,PC-id_45877986,CoCoCo_4820236,MCULE-9585973847,EMOLS-id_30021625	395.45	KMRUHHCJUNJRCQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111280
CC(C)(C)OC(=O)NC(CC=CCC1CCCCc2noc(=O)n12)C(=O)OC	PC-id_88181190	395.45	FPGQHZNVJQTBIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111281
CC(C)(C)OC(=O)NC(C)(CC=CCC1CCCCc2noc(=O)n12)C(=O)O	PC-id_88181191	395.45	ICFDCSIWQNFRBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111282
COC(=O)[C@H](NC(=O)OC(C)(C)C)C/C=CCC1CCCCc2n1c(=O)on2	PC-id_140446461	395.45	FPGQHZNVJQTBIZ-KKJRYVKTSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111283
COC(=O)[C@@H](NC(=O)OC(C)(C)C)CC=CCC1CCCCc2n1c(=O)on2	PC-id_59923007,SCHEMBL7655549	395.45	FPGQHZNVJQTBIZ-KZUDCZAMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111284
COC(=O)[C@@H](NC(=O)OC(C)(C)C)C/C=CCC1CCCCc2n1c(=O)on2	SCHEMBL7655547	395.45	FPGQHZNVJQTBIZ-LITAPUIBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111285
o1nc2n(C(CCCC2)CC=CC[C@@](NC(=O)OC(C)(C)C)(C)C(=O)O)c1=O	PC-id_70154804,SCHEMBL7655550	395.45	ICFDCSIWQNFRBG-YFKXAPIDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111286
o1nc2n(C(CCCC2)C/C=C/CC(NC(=O)OC(C)(C)C)C(=O)OC)c1=O	PC-id_18387496	395.45	FPGQHZNVJQTBIZ-FNORWQNLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111287
S(=O)(=O)(N1C(Cc2sccc2C(=O)C1)C(=O)OC)c1ccc(OC)cc1	PC-id_57108145	395.45	LYTNRUDVPFGFKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111288
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)Cc1coc2cc(C)cc(C)c12	MCULE-7907479936,PC-id_72890057,EMOLS-id_46062989,ZINC22_91657215	395.452	NXHGVEWNOFFNMH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111289
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)S(=O)(=O)N(C)C)F	EMOLS-id_101856991	395.452	ROMHPBFUYRGCPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111290
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_8500305,EMOLS-id_18814921,CoCoCo_3538100,MCULE-1832133503	395.453	FMJOICDQYBTELQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111291
O=C(N1CCC(CC1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-])OC(C)(C)C	SCHEMBL14966080,PC-id_71570301	395.453	JOZKZIGQFUYXNT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-111292
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c([N+](=O)[O-])cccc1	PC-id_8500317	395.453	IKAXNQUBABOTND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111293
c12CN(CCCn1nc(CCC(=O)O)c2)Cc1nccn1c1ccc(cc1)OC	ZINC22_72428657,MCULE-4334093567,PC-id_56897425,EMOLS-id_43120039	395.455	ADNFADLXFLRFKO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111294
c12CN(CCCn1nc(CNC(=O)c1cc3c(c(C)ccc3)o1)c2)C(=O)N(C)C	ZINC22_91602426,PC-id_72877656,EMOLS-id_46053913,MCULE-1905204469	395.455	YULSMSZONTYFGJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111295
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3)OC)CCn12	MCULE-2198039835,EMOLS-id_46050271,PC-id_45207292	395.455	VWJOXINUZKMWHW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111296
c1(C(C)NC(=O)c2ccoc2C)nnc2CCN(Cc3ccc(cc3)O)CCn12	PC-id_45182509,EMOLS-id_20452359,MCULE-5676400878	395.455	OKURNOLUORSHPA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111297
c1(C(=O)N[C@@H]2C[C@@H]3[C@H]2CCO3)cn2c(CCN(C(=O)Cc3cccnc3)CC2)n1	EMOLS-id_331141183,ZINC22_1875251022,MCULE-6558487934	395.455	QWLXBWLVUPNSMG-LZLYRXPVSA-N	00001010100000101101001000000010000000000000000000000000	31-01-111298
C1N(CCC1)C(=O)CNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	EMOLS-id_25387320,MCULE-7299546986,PC-id_46049591	395.455	CFFOFUUKZPHONG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111299
Cc1ccc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)o1	CoCoCo_1363680,ZINC22_23337521,EMOLS-id_20563567,MCULE-1124878056,CoCoCo_1363681,PC-id_31015720	395.455	YECYRXGPLUUHAV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111300
Cc1ccc(CNC(=O)CC2CCc3nn(Cc4cccnc4)c(=O)n3CC2)o1	EMOLS-id_207877236,MCULE-7096523899	395.455	VNYAAHKXZACXLV-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-111301
Cc1c(nc[nH]1)CN1CCc2c(CC1)oc(n2)C(=O)NCCOc1ccccc1	PC-id_134810644	395.455	WSIJNCLOSNYUNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111302
Cc1noc(C)c1CCC(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	MCULE-2169701651,PC-id_91922561,EMOLS-id_50585945	395.455	PVFOBYFYZDUPDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111303
Cc1noc(C)c1COc1ccccc1C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_24093917,ZINC22_12979246,CoCoCo_4625738,PC-id_25644180,MCULE-2423061202	395.455	WZLMFISCUGJZKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111304
Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(O)cc1)CC2	CoCoCo_1203562,ZINC22_11995450,CoCoCo_1203563	395.455	OKURNOLUORSHPA-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111305
Cc1occc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(O)cc1)CC2	ZINC22_11995449,CoCoCo_1203561,CoCoCo_1203560	395.455	OKURNOLUORSHPA-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111306
CCNC(=O)COc1c(cc(cc1)C=C(C#N)c1nnc2n1CCCCC2)OC	EMOLS-id_26093001,PC-id_86775938,MCULE-9972858766	395.455	RRZVRELAVZYICY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111307
CCNC(=O)COc1ccc(cc1OC)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3456486,PC-id_8275458	395.455	RRZVRELAVZYICY-LFIBNONCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111308
CCNC(=O)COc1ccc(cc1OC)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3456487	395.455	RRZVRELAVZYICY-WJDWOHSUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111309
COc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccco3)n2CC1	CoCoCo_1165107,EMOLS-id_20424633,PC-id_28312982,MCULE-1664972913,ChEMBL-DNDi_CHEMBL15064341,CoCoCo_1165106,ZINC22_19745187	395.455	UZDBFDHIGKIFTE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111310
COc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	EMOLS-id_20452205,MCULE-8841648303,CoCoCo_1203324,PC-id_26278157,ZINC22_14882355,CoCoCo_1203325	395.455	SXGXCMAETSHNDD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111311
COc1ccccc1CN1CCn2c(CC1)nnc2[C@H](NC(=O)c1ccco1)C	CoCoCo_1218897,CoCoCo_1218898	395.455	ZZIPTYPTQIYQBZ-OAHLLOKOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111312
COc1ccccc1CN1CCn2c(CC1)nnc2[C@@H](NC(=O)c1ccco1)C	CoCoCo_1218900,CoCoCo_1218899	395.455	ZZIPTYPTQIYQBZ-HNNXBMFYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111313
COc1ccccc1CN1CCn2c(CC1)nnc2C(NC(=O)c1ccco1)C	ChEMBL-DNDi_CHEMBL21168115,PC-id_45185095	395.455	ZZIPTYPTQIYQBZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111314
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccco3)CCn12	MCULE-3363297972,EMOLS-id_20589765,ChEMBL-DNDi_CHEMBL47979006,PC-id_26354638,CoCoCo_1403063,ZINC22_14998871,CoCoCo_1403062	395.455	YOWQALNVULSZPO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111315
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccoc3)CCn12	CoCoCo_1479088,ZINC22_14979514,MCULE-6154055255,PC-id_26335127,CoCoCo_1479089,EMOLS-id_20640323	395.455	UFZHKJZNYVIBHO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111316
COc1cccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c1	ZINC22_14952204,CoCoCo_1429068,EMOLS-id_20607247,PC-id_26317072,CoCoCo_1429067,MCULE-6753272438	395.455	JCMJFPIVJYTTGJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111317
COc1cccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1	EMOLS-id_20390316,PC-id_30851976,MCULE-2718983432,ZINC22_23128625,CoCoCo_1118890,CoCoCo_1118891	395.455	MFZYQLFUVFZQGV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111318
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1	PC-id_28134146,ZINC22_19301035,CoCoCo_1422799,CoCoCo_1422798,EMOLS-id_20603109,MCULE-1918688924,ChEMBL-DNDi_CHEMBL51480814	395.455	IUBBLLUWRZXLTD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111319
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1	MCULE-4923612084,PC-id_26324866,CoCoCo_1452898,CoCoCo_1452899,ZINC22_14964917,EMOLS-id_20623239	395.455	KWQGCXAFZMHCGD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111320
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1	CoCoCo_1359071,CoCoCo_1359072,ZINC22_12027233,PC-id_42360760	395.455	VWJOXINUZKMWHW-HNNXBMFYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111321
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1	ZINC22_12027229,PC-id_42360757,CoCoCo_1359070,CoCoCo_1359069	395.455	VWJOXINUZKMWHW-OAHLLOKOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111322
COCc1ccc(o1)C(=O)NCc1nnc2n1CCN(CC2)Cc1ccccc1	ChEMBL-DNDi_CHEMBL24119063	395.455	DTBQJAAJDGICEA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111323
COC(=O)c1ccc(c2noc(CN(C)Cc3n[nH]c4c3CCCCC4)n2)cc1	CoCoCo_1383379,CoCoCo_1383377,PC-id_31018388,CoCoCo_1383380,Chemmine_34737,CoCoCo_1383378,EMOLS-id_20576627,ZINC22_23340019,MCULE-4849019453	395.455	XQNBKLYGJXLXOK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111324
n12CCC(CCc1nn(CC(=O)N(Cc1ccccc1)Cc1ccco1)c2=O)N	PC-id_91910899,MCULE-1443106261,EMOLS-id_50590580	395.455	RTWYYXDSOONLMP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111325
n12CCN(CCc1nnc2CCNC(=O)COc1ccccc1)Cc1ccoc1	ZINC22_14993379,PC-id_26348583,CoCoCo_1388715,MCULE-6538927478,EMOLS-id_20580207,CoCoCo_1388714	395.455	AVXJYZOIDKHSOT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111326
O=C1N(CCCC)C(=O)c2c1cc(C(=O)NCc1n3CCCCCc3nn1)cc2	PC-id_51266269	395.455	MHUNWQFKYDDXIL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-111327
O=C1N(CCCC(=O)NCc2n3CCCCCc3nn2)C(=O)c2c1cc(cc2)C	PC-id_51266341	395.455	KDLIFHUNLQNDLZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-111328
O(Cc1c(onc1C)C)c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_30216009	395.455	MVTJEEYCTBSGGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111329
O(Cc1c(onc1C)C)c1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_30547163	395.455	UWKIQMGXDKJGER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111330
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C)NC1CC1	PC-id_93332496	395.455	COHOJMHALFWRHI-AWEZNQCLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111331
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C)NC1CC1	PC-id_93332497	395.455	COHOJMHALFWRHI-CQSZACIVSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111332
O=C(CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C)NC1CC1	MCULE-6920449556,PC-id_46049858,EMOLS-id_25387686	395.455	NDSQUDDYOOZWNI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111333
O=C(NC1CC1)CNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1	PC-id_46050051	395.455	GXJRINJOWXRONF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111334
O=C(NC1CC1)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)C	PC-id_46049845	395.455	COHOJMHALFWRHI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111335
O=C(Nc1ccccc1N1CCCC1=O)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_318107065	395.455	BZRZLJNUQIQCEX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111336
O=C(NCC1CC1)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049590	395.455	RGJZSQDVENHCDS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111337
O=C(NCc1n2CCN(CCc2nn1)C(=O)/C=C/c1ccc(OC)cc1)C1CC1	PC-id_56852934	395.455	CAHBRCUHTAWJOK-RUDMXATFSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111338
O=C(NCc1n2CCN(CCc2nn1)C(=O)C=Cc1ccc(OC)cc1)C1CC1	PC-id_76428795	395.455	CAHBRCUHTAWJOK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111339
N#Cc1ccc(cc1)CO/C(=C(c1nnc2n1CCCCC2)/C#N)/c1ccccc1	CoCoCo_3165186,PC-id_5984083	395.456	WDEDUQLZVFJPEZ-LNVKXUELSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111340
N#Cc1ccc(cc1)COC(=C(c1nnc2n1CCCCC2)C#N)c1ccccc1	PC-id_4005124,EMOLS-id_26057044,MCULE-9092126367	395.456	WDEDUQLZVFJPEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111341
N#Cc1ccc(cc1)CO/C(=C(/c1nnc2n1CCCCC2)C#N)/c1ccccc1	PC-id_6377883,CoCoCo_3165185	395.456	WDEDUQLZVFJPEZ-XTQSDGFTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111342
O(c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1)Cc1cc(ccc1)C#N	PC-id_52197838	395.456	PKXCUAODXFVDGE-FYJGNVAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111343
O(c1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1)Cc1cc(ccc1)C#N	PC-id_75692876	395.456	PKXCUAODXFVDGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111344
c1(C(O)c2ccnn2C)cc2n(CCCN(C2)C(=O)c2cncnc2CCC)n1	MCULE-6220699234,PC-id_91773344,EMOLS-id_55640506	395.458	QZPWDWOHSRBZLU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-111345
Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)NCc1nnc2n1CCOCC2	ZINC22_1615592968	395.458	WFQYTUGGHULZIU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111346
Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)NCc1nnc2n1CCOCC2	ZINC22_1615592970	395.458	WFQYTUGGHULZIU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111347
CCCc1ncncc1C(=O)N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1	PC-id_100047339,ZINC22_219788749	395.458	QZPWDWOHSRBZLU-LJQANCHMSA-N	00000000100000100101000000000010000000000000000000000000	31-01-111348
CCCc1ncncc1C(=O)N1CCCn2nc([C@H](O)c3ccnn3C)cc2C1	ZINC22_219788814,PC-id_100047341	395.458	QZPWDWOHSRBZLU-IBGZPJMESA-N	00000000100000100101000000000010000000000000000000000000	31-01-111349
C[C@@H](c1ccccc1)n1ccc(NC(=O)N(C)Cc2nnc3n2CCOCC3)n1	ZINC22_1615554157	395.458	WWVHMPWUUNPWQF-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111350
C[C@H](c1ccccc1)n1ccc(NC(=O)N(C)Cc2nnc3n2CCOCC3)n1	ZINC22_1615554160	395.458	WWVHMPWUUNPWQF-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111351
Cn1nc(c(c1)CNCCc1nnc2n1CCCCC2)c1ccc(cc1)[N+](=O)[O-]	PC-id_119111954	395.458	WVHFVRQQXKMRSJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111352
C=N/C(=NN(Cc1ccccc1)C)/C(=O)NC1CCn2c(N(C1=O)C)nc(c2)C	SCHEMBL19659471	395.458	IAXVKJOPBKHJHY-ULJHMMPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111353
n12CCC(CCc1nn(Cc1cccnc1)c2=O)CC(=O)NCCn1ccnc1	MCULE-9776465941,EMOLS-id_207877298	395.458	MDARXTPDFFSGBW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-111354
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(c1ncn(n1)C(c1ccccc1)C)O	SCHEMBL19658623	395.458	LYCRNNJIAKHEEW-RCDNUKIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111355
O=C(CC1CCn2c(CC1)nn(c2=O)Cc1cccnc1)NCCn1cccn1	MCULE-4254680531,PC-id_146048481,EMOLS-id_207877301	395.458	JOGCEEWKLWDYSL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-111356
O=C(Nc1nn(cc1C)C(c1ccccc1)C)NCc1nnc2n1CCOCC2	EMOLS-id_320322241,MCULE-1174243063	395.458	WFQYTUGGHULZIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111357
O=C(N(Cc1nnc2n1CCOCC2)C)Nc1ccn(n1)C(c1ccccc1)C	MCULE-9050365980,EMOLS-id_320328393	395.458	WWVHMPWUUNPWQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111358
Fc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCC(=O)N(C)C)/C(=O)Nc2cc1	PC-id_60113729,SCHEMBL6694649	395.47	MFVQMKBPQHKCNU-AQTBWJFISA-N	00000010100000100100000000001010000000000000000000000000	31-01-111359
Fc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)N(C)C)C(=O)Nc2cc1	PC-id_72651819	395.47	MFVQMKBPQHKCNU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-111360
C=C/C=C(C=C/1Nc2c(CN(C1C)C(=O)c1ccc(c(c1)F)CN)cnn2C)/C	PC-id_143188851	395.473	GLWUIMKMCKPICF-PCGOLPPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111361
c1(NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCCCC2)c1C(=O)N	ZINC22_995176,CoCoCo_684157,PC-id_1220187,TIMTEC90564,GD-id_ZINC00995176,EMOLS-id_2096119,MCULE-2716396019	395.475	BYQMNIMZYIYUTB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111362
c1(sc2c(CCCCC2)n1)NC(=O)c1cc(O)c(cn1)OCc1ccccc1	MCULE-8775497010,STOCK7S-13128,EMOLS-id_35785194,PC-id_52899124,EMOLS-id_36738507,ZINC22_61718872	395.475	XVHAZOMQLRKKEE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-111363
Cc1cc(ccc1COC(=O)c1ncc[nH]1)C(=O)N1CCCCc2c1ccs2	SCHEMBL6202298,PC-id_69701934	395.475	VPWCTYBRASAANE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111364
Cc1cc(ccc1COC(=O)n1cncc1)C(=O)N1CCCCc2c1ccs2	PC-id_59986879,SCHEMBL6202295	395.475	JKLZEOGPDDTORR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111365
CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1cc2ccccc2s1	SCHEMBL17777932,BindingDB-id_731725,PC-id_121358863	395.475	MKHOTVHNGSTQLF-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-111366
COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4266723,ZINC22_12795743,PC-id_25518214	395.475	FPBSPVYRLTUAHD-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111367
COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25518217,ZINC22_12795746,CoCoCo_4266724	395.475	FPBSPVYRLTUAHD-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111368
COc1ccc(NC(=O)c2ccc3CCN(CCn23)C(=O)c2ccsc2)cc1	ZINC22_585110982,EMOLS-id_313783187	395.475	OBKLBJQMLNXPNB-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-111369
N#Cc1ccc(c(c1)OC)OC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	MCULE-7638775574,PC-id_24530235,EMOLS-id_17179773	395.475	FPBSPVYRLTUAHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111370
N#Cc1c(NC(=O)CCn2c(=O)oc3ccccc23)sc2c1CCCCCC2	MCULE-6452946688,PC-id_71890222,ZINC22_84600143,EMOLS-id_44539878	395.475	SBOVRODVOVCPSC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111371
O=C1NCCCn2cc(cc12)S(=O)(=O)N(Cc1ccccc1)c1ccccc1	MCULE-5435858332,PC-id_53182804,EMOLS-id_33086334	395.475	CBFIHAWAQJRSSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111372
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(noc1C)c1ccccc1	PC-id_9163628	395.475	MZOASDBDATYHCW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111373
s1c2CCCCCc2cc1C(=O)NNC(=O)CN1C(=C)c2c(C1=O)cccc2	PC-id_55494650	395.475	FYQNDRWGPKSNQE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-111374
s1c2CCCCCc2c(c1NC(=O)COc1c(OCC)cc(cc1)C#N)C#N	PC-id_55327774	395.475	QJFRZEXMTVNSIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111375
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1c(C)noc1C	EMOLS-id_50586261,MCULE-9663895633,PC-id_91922749	395.476	OLJRLMVHFNAQBL-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-111376
O=C(N1CCN(CC1)C(=O)C1CC1)CS(=O)(=O)c1nnc2n1CCCCC2	EMOLS-id_98149998	395.476	UZGXLXILHFYFAW-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-111377
C1CCc2nnc(n2CC1)/C(=C(/C[NH+]1CCN(CC1)c1ccccc1O)O)/C#N	PC-id_135571867	395.478	BHPJWBFUMJJYEU-MNDPQUGUSA-O	00000000100010110101100000000010000000000000000000000000	31-01-111378
Cc1ccc(cc1)NC(=O)C[NH+](C)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135552905	395.478	IILKCZDSXYQYBM-ZCXUNETKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-111379
Cc1nccn1c1ccc(CNC(=O)CN2CCCc3sccc3C2=O)cn1	ZINC22_84291071,PC-id_71878180,EMOLS-id_44566594,MCULE-6016615216	395.478	KNQHUTBNCZPKRU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-111380
CCc1c(c2ccncc2)n[nH]c1NC(=O)CN1CCCc2sccc2C1=O	EMOLS-id_44566604,MCULE-3403655681,PC-id_71878156,ZINC22_83817672	395.478	HZHPOBPKHZITBR-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-111381
CC(=O)c1cc(CC(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)cs1	MCULE-5430885645,ZINC22_952984554,EMOLS-id_290028507	395.478	WBANYCKZIAQZSO-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-111382
O=C1Nc2c(C)sc(c2CCC1C(c1nnc([nH]1)C(=O)N)c1ccccc1)C	SCHEMBL19031504	395.478	HSPXNZROMUKCAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111383
O=C1Nc2c(C)sc(c2CCC1NC(=O)c1nnc([nH]1)Cc1ccccc1)C	SCHEMBL19037351	395.478	LVSLUSALWIPEKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111384
O=C(c1ccc(cc1)n1cnnc1)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_51132062,MCULE-7182657497,EMOLS-id_32162293	395.478	IUQJKZRUDKWOSW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111385
O=C(c1ccc(nc1)n1ccnc1)NNC(=O)c1sc2c(c1)CCCCCC2	CoCoCo_4684115,EMOLS-id_29681013,PC-id_24665808,MCULE-6391977374	395.478	KRODJSROQIQGBP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-111386
O=C(C[NH+]1CCN(CC1)c1c(O)cccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78698927	395.478	BEJNHFZZPUDEKX-UHFFFAOYSA-O	00000011000010110111100000000010000000000000000000000000	31-01-111387
O=C(C[NH+]1CCN(CC1)c1c(O)cccc1)/C(=C
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O=C(C[NH+](CC(=O)Nc1ccc(cc1)C)C)C(=C1N2CCCCCC2=NN1)C#N	PC-id_84836257	395.478	PVOGZEXUJZXVAN-UHFFFAOYSA-O	00000011000000110111000000000010000000000000000000000000	31-01-111389
O=C(C[NH+](CC(=O)Nc1ccc(cc1)C)C)/C(=C
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O=C(Nc1ccccc1C(=O)NCc1nnc2n1CCCCC2)c1cccs1	CoCoCo_4663533,MCULE-7168810475,PC-id_24249312,EMOLS-id_17217678,ZINC22_23055128	395.478	WICPPNKFSZYMBC-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-111391
O=C(Nc1ccccc1NC(=O)C1CCn2c(CC1)nnc2)Cc1cccs1	EMOLS-id_278133245	395.478	XGHSYNSROMQCLX-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-111392
s1c2CCCCCc2cc1C(=O)NNC(=O)c1nn(nc1C)c1ccccc1	PC-id_26995138	395.478	DCWFMAPSQLAIGV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111393
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(Cn2ncnc2)cc1)C(=O)N	PC-id_55507093	395.478	JLWTUAMIXMDACP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111394
s1c(C(=O)Nc2ccc(C(=O)NCc3n4CCCCCc4nn3)cc2)ccc1	PC-id_51266337	395.478	VEMXRNZMAUJXCQ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-111395
s1c(C(=O)Nc2cc(C(=O)NCc3n4CCCCCc4nn3)ccc2)ccc1	PC-id_51266345	395.478	HORAPBTZRVQHIE-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-111396
CCCCC(CC1COc2c(OC1)c([nH]c2C(=O)OCC)C(=O)OCC)CC	PC-id_11112038,SCHEMBL182763	395.49	JVNGTYOAKWBOBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111397
CCCCC(CC1COOc2c(C1)c([nH]c2C(=O)OCC)C(=O)OCC)CC	PC-id_22672966,SCHEMBL182762	395.49	QVPUKRRQKGISPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111398
CCCCCCCCC1COc2c(OC1)c([nH]c2C(=O)OCC)C(=O)OCC	PC-id_11003783,SCHEMBL182725	395.49	GHWTXDIQHLLAMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111399
CCCCCCCCC1COOc2c(C1)c([nH]c2C(=O)OCC)C(=O)OCC	PC-id_22672956,SCHEMBL182724	395.49	VKTQMLMKOOZFQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111400
CCCCCCCCCCCCn1c(C(=O)O)c2c(c1C(=O)O)OCCCO2	SCHEMBL15198916,PC-id_56652152	395.49	ONXSOLXEAHQINF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111401
O(C(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)C#CCCCCCC)CC	PC-id_11165361	395.491	XPFNJJLVCZIGGN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111402
NS(=O)(=O)c1ccc(OCCOC(=O)c2cc3c(s2)CCCCC3)cc1	EMOLS-id_24499893,MCULE-4054522164,PC-id_9403145,CoCoCo_4055591,ZINC22_8275405	395.493	HUJIYPWGBCMZNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111403
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)F)CCn12	ChEMBL-DNDi_CHEMBL55446559,MCULE-9243602611,PC-id_45220787,EMOLS-id_232756008	395.495	ITEZUCRQNIBTCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111404
Cc1c2-c(c(cc2NC(=O)C)C(=CC(C)(C)N=O)NC(=O)C)cc(cc1)C(C)C	SCHEMBL5711216,PC-id_87882139	395.495	LGVITRHELPFPPZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111405
CC1CCCCN1C(=O)c1ccc(c(c1)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100958916	395.495	PKNJUJZLOJGNPS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111406
CC1CC(C)CN(C1)C(=O)c1ccccc1NC(=O)c1noc2c1CCCCC2	EMOLS-id_100932237	395.495	IANBHFRDYYTOFN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111407
CC1CCN(CC1)C(=O)c1ccc(c(c1)C)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100940310	395.495	MIJJEUWDPGSWQA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111408
CC(C(c1nnc2n1CCN(CC2)Cc1ccccc1F)NS(=O)(=O)C)C	PC-id_45167083,ChEMBL-DNDi_CHEMBL63693519	395.495	WXKDLEGRIOJMJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111409
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2	CoCoCo_1444948,CoCoCo_1444947,ZINC22_12048683	395.495	ITEZUCRQNIBTCS-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111410
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2	CoCoCo_1444949,CoCoCo_1444950,ZINC22_12048684	395.495	ITEZUCRQNIBTCS-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111411
CC([C@H](c1nnc2n1CCN(CC2)Cc1cccc(c1)F)NS(=O)(=O)C)C	CoCoCo_1439477,CoCoCo_1439476	395.495	VUJNLGLDFYZZAE-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111412
CC([C@@H](c1nnc2n1CCN(CC2)Cc1cccc(c1)F)NS(=O)(=O)C)C	CoCoCo_1439479,CoCoCo_1439478	395.495	VUJNLGLDFYZZAE-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111413
COc1ccc(cc1)CN1C(=O)C=C(c2c(C1C(=O)NC(C)(C)C)n(C)cc2)C	PC-id_102307894	395.495	WYKMUKRDKXWSBY-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-111414
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1cccc(c1)OCCCNC1CCC1	PC-id_21953039,SCHEMBL6093470	395.495	SBQOTXXGKCTHCB-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-111415
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1ccc(cc1)OCCCNC1CCC1	PC-id_21953046,SCHEMBL6095816	395.495	XJWFNINVZVHPTG-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-111416
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1cccc(c1)OCCCNCC1CC1	SCHEMBL6092912,PC-id_21953024	395.495	QVCJLWUCRPNJHB-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-111417
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1ccc(cc1)OCCCNCC1CC1	SCHEMBL6093282,PC-id_21953168	395.495	RFEZBOYKFREEQZ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-111418
O=C(N1CCC(CC1)Cc1ccccc1)CNC(=O)c1noc2c1CCCCC2	EMOLS-id_101064295	395.495	MJLSPORIDZAKTQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111419
O=C(N1CCC(CC1)NC(=O)c1ccccc1C)CN1CCCc2c(C1)cco2	EMOLS-id_99340438	395.495	NHNFVOOVQAQSJY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-111420
O=C(N1CCC(CC1)NC(=O)c1noc2c1CCCCC2)CCc1ccccc1	EMOLS-id_100944465	395.495	CDJQLAIMGGWVFU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111421
S(=O)(=O)(NC(c1n2CCN(CCc2nn1)Cc1cc(F)ccc1)C(C)C)C	PC-id_45219936	395.495	VUJNLGLDFYZZAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111422
CCOC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc2c1CCCCC2	CHEMBL566896,SCHEMBL3924029,PC-id_137629464	395.496	IQOPQHZMWKQYQF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-111423
CONS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)cc1	ZINC22_55376136,PC-id_53527301,MCULE-3310952959,EMOLS-id_36280038	395.496	VAZYIIIVKLSPNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111424
O=C(c1sc2c(c1)CCCCCC2)NS(=O)(=O)c1cnn2c1OCCC2	EMOLS-id_111007507	395.496	NBMYWJWTWHLKEP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-111425
s1c2c(CCCCC2)c(c1NC(=O)CSCc1nc(on1)C)C(=O)OC	PC-id_55796355	395.496	LOCOTWYRFLRYAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111426
c12CN(CCCn1nc(CNC(=O)c1cccc(N(C)C)c1)c2)C(=O)C1CCC1	MCULE-1609606633,ZINC22_91691517,EMOLS-id_46067437,PC-id_72896202	395.498	FZNOWOZHTWQAKX-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-111427
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCCC1)c2)Cc1ccc(cc1)C	EMOLS-id_32846152,PC-id_50797904,MCULE-4358538571	395.498	XVMGZIZGIIQAKM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111428
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCCCC1)c2)Cc1ccccc1	PC-id_50798082,EMOLS-id_32846018,MCULE-7424776340	395.498	YYTMDYMOJDFJOS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111429
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3cc4c(cccc4)o3)CCn12	MCULE-9520658150,EMOLS-id_20522791,PC-id_45198675	395.498	BVKVWGBPPNKGMS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111430
Cc1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101722296	395.498	GOKIVONWKRYTGJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111431
Cc1cccc(c1)NC(=O)N1CCCC(C1)C(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101846425	395.498	DCVOBTDUZAUETO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111432
Cc1cc(C)c(c(c1)C)N1CC(CC1=O)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_189649377,MCULE-3890675517	395.498	YPEYPILMAYBMDP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111433
Cc1cc(C)c(N2C[C@H](C(=O)NCc3nnc4n3CCCCC4)CC2=O)c(C)c1	ZINC22_193158857	395.498	YPEYPILMAYBMDP-QGZVFWFLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111434
s1c2CCCCCc2c(c1NC(=O)[C@H](SC(=S)N(CC)CC)C)C#N	PC-id_26807943	395.606	CYVIBWIYDNYPHD-GFCCVEGCSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111630
Cc1cc(C)c(N2C[C@@H](C(=O)NCc3nnc4n3CCCCC4)CC2=O)c(C)c1	ZINC22_193158874	395.498	YPEYPILMAYBMDP-KRWDZBQOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111435
CC1CC(C)CN(C1)C(=O)c1ccccc1NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316696211	395.498	DGNNYVYJISFYFM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111436
CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101959318	395.498	PJUZNTNNZVJFSU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111437
C/C=C(c1ccccc1C)/c1nc(c2n1CCCN(C2)C)C(=O)NCC(=O)NC	PC-id_145538806	395.498	IXQHSEXGJSOKPJ-FZSIALSZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111438
CC([C@@H](N1Cc2c(C1=O)cccc2)C(=O)NCCc1nnc2n1CCCCC2)C	EMOLS-id_258065659,MCULE-2018579558	395.498	PUCKSNPIMKPRDG-HXUWFJFHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-111439
CCCN1CC(CCC1=O)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337775109,MCULE-4340751170	395.498	QLRYAHPHBYUGAK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111440
CCCN1C[C@H](C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)CCC1=O	ZINC22_2356137070	395.498	QLRYAHPHBYUGAK-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111441
CCCN1C[C@@H](C(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)CCC1=O	ZINC22_2356137071	395.498	QLRYAHPHBYUGAK-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111442
C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCc2nnc3n2CCCCC3)CC1=O	ZINC22_42764174	395.498	HGPHTKLEWXVTIO-FUHWJXTLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111443
C[C@H](c1ccccc1)N1C[C@H](C(=O)NCCc2nnc3n2CCCCC3)CC1=O	ZINC22_42764180	395.498	HGPHTKLEWXVTIO-SJLPKXTDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111444
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCCc2nnc3n2CCCCC3)CC1=O	ZINC22_42764186	395.498	HGPHTKLEWXVTIO-WMZOPIPTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111445
C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCc2nnc3n2CCCCC3)CC1=O	ZINC22_42764192	395.498	HGPHTKLEWXVTIO-AEFFLSMTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111446
CCN1CCN(CC1)C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C	CoCoCo_2544526,PC-id_46347973	395.498	NPOGXNIAUHODID-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111447
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc3ccccc3o1)CC2	CoCoCo_1304446,CoCoCo_1304447,ZINC22_20784364	395.498	BVKVWGBPPNKGMS-LJQANCHMSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111448
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc3ccccc3o1)CC2	ZINC22_20784367,CoCoCo_1304449,CoCoCo_1304448	395.498	BVKVWGBPPNKGMS-IBGZPJMESA-N	00000000100000100101000001000010000000000000000000000000	31-01-111449
Cn1ccc2c1C(=NCC/C/2=NO)OCCCN1CCN(CC1)c1ccccc1	SCHEMBL6995405,PC-id_136426978	395.498	CVIWHQFKDVUPSW-HIXSDJFHSA-N	00000000100010110111100000000010000000000000000000000000	31-01-111450
Cn1ccc2c1C(=NCCC2=NO)OCCCN1CCN(CC1)c1ccccc1	SCHEMBL6995410,PC-id_136426979	395.498	CVIWHQFKDVUPSW-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-111451
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCN(CC1)c1ccccn1)cc2	SCHEMBL6989707,PC-id_20085242	395.498	KYWOLUAOCMBAKB-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-111452
CN1CC(=O)N(c2c(C1=O)sc(n2)Sc1ccccc1)Cc1ccccc1	PC-id_142739069	395.498	NWWKSNOJKFRKCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111453
CN1C(=O)CN(C(=O)c2c1nc(s2)Sc1ccccc1)Cc1ccccc1	PC-id_142739095	395.498	OFPVZHLUJRDFCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111454
n12CCCNCc1cc(CCC(=O)NCc1ccc(cc1)C(=O)N1CCCC1)n2	ZINC22_72418725,PC-id_70726167,MCULE-2940579929,EMOLS-id_43093465	395.498	MEZAJCGCFHBAHA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111455
n12CCN(CCc1nnc2CNC(=O)COc1ccccc1)CC1CCC=CC1	PC-id_45208611,MCULE-9792164739,EMOLS-id_20566099	395.498	LJYBGDLIWHQIIB-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-111456
n1c(CNC(=O)CC2C(=O)NCCN2Cc2ccccc2)c2c(CCCCC2)[nH]1	PC-id_45199614,MCULE-9445181562,EMOLS-id_20526925	395.498	ZABHEUKIQIDQOO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111457
O(c1ccc(CNCCc2n3CCCCCc3nn2)cc1)Cc1c(onc1C)C	PC-id_56436277	395.498	MIBOSJUFCJLJSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111458
O=C1CC(C(N1Cc1ccccc1)C)NC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	MCULE-5849482012,EMOLS-id_317722036	395.498	ZXGZGYDEOPIRNG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111459
O=C1N(CC(C1)C(=O)NCCc1n2CCCCCc2nn1)c1c(CC)cccc1	PC-id_60389615	395.498	BZLYXSACUWISFS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111460
O=C1N(CC(C1)C(=O)NCCc1n2CCCCCc2nn1)Cc1ccc(cc1)C	PC-id_60389550	395.498	ODDJFMSQWTZRKV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111461
O=C1N(CCCN2CCN(CC2)c2ccccc2)CC/C(=N/O)/c2c1n(cc2)C	PC-id_20083214,SCHEMBL6992602	395.498	ZWNQRIFOFKWVAX-ATJXCDBQSA-N	00000000100010110101100000000010000000000000000000000000	31-01-111462
O=C1N(CCCN2CCN(CC2)c2ccccc2)CCC(N=O)c2c1n(cc2)C	PC-id_54426626	395.498	WENYYNSNSFYOMT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-111463
O=C1N(CCCN2CCN(CC2)c2ccccc2)CCC(=NO)c2c1n(cc2)C	PC-id_73658804	395.498	ZWNQRIFOFKWVAX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-111464
O=C1N(CCCn2nc(cc12)C(=O)NCCCN1CCCC1)Cc1ccccc1	PC-id_50798083	395.498	ADIZBVCGUNPZTQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111465
O=C1N(CCCn2nc(cc12)C(=O)NCCN1CCCC1)Cc1cc(ccc1)C	PC-id_53034587	395.498	RGUFOUIVDNYFRF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111466
O=C(C1CCCCN1Cc1nnc2n1CCCCC2)Nc1ccc2c(c1)CCO2	EMOLS-id_99583457	395.498	VWTAICLYMIWCIG-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-111467
O=C(C1CCCN1C(=O)Cc1ccccc1)NCCc1nnc2n1CCCCC2	EMOLS-id_316829543,MCULE-2892020273	395.498	CPXJVSKJJFYNOK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111468
O=C(C1CCn2c(CC1)nnc2)NCc1cccc(c1)NC(=O)C1CCCCC1	EMOLS-id_319514184	395.498	IAWAXAKADTUXCT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111469
O=C(C1CCN(CC1)C(=O)c1ccccc1)NCCc1nnc2n1CCCCC2	EMOLS-id_99687212	395.498	UIXZQIVBAJZRQR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111470
O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1n[nH]c2c1CCCCC2	CoCoCo_1310319,CoCoCo_1310321,ZINC22_12439665,CoCoCo_1310317,PC-id_25279783,CoCoCo_1310315	395.498	ZABHEUKIQIDQOO-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111471
O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCc1n[nH]c2c1CCCCC2	CoCoCo_1310322,ZINC22_12439666,CoCoCo_1310316,CoCoCo_1310318,PC-id_25279785,CoCoCo_1310320	395.498	ZABHEUKIQIDQOO-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111472
O=C(COc1ccccc1)NCc1nnc2n1CCN(C[C@@H]1CC=CCC1)CC2	CoCoCo_1367313,CoCoCo_1367311,ZINC22_14987075	395.498	LJYBGDLIWHQIIB-GOSISDBHSA-N	00000000100011110101000000000010000000000000000000000000	31-01-111473
O=C(COc1ccccc1)NCc1nnc2n1CCN(C[C@H]1CC=CCC1)CC2	ZINC22_14987073,CoCoCo_1367314,CoCoCo_1367312	395.498	LJYBGDLIWHQIIB-SFHVURJKSA-N	00000000100011110101000000000010000000000000000000000000	31-01-111474
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(c(c1)C(=O)N1CCCCC1)C	EMOLS-id_101871502	395.498	YBWRHXHFPCPHHS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111475
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(cc1)C(=O)N1CCCCC1C	EMOLS-id_101955018	395.498	KGWIRQGACHPJMP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111476
O=C(N1CCCc2c(C1)cnn2C)Nc1ccc(cc1)C(=O)N1CCCCCC1	EMOLS-id_101954997	395.498	XGCKDUJNJYIOOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111477
O=C(N1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2)CCCc1ccccc1	EMOLS-id_316612972	395.498	NMQZIJYUBMFTFK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111478
O=C(NCCc1nnc2n1CCCCC2)[C@H]1CCCN1C(=O)Cc1ccccc1	ZINC22_67789559	395.498	CPXJVSKJJFYNOK-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111479
O=C(NCCc1nnc2n1CCCCC2)[C@@H]1CCCN1C(=O)Cc1ccccc1	ZINC22_67789565	395.498	CPXJVSKJJFYNOK-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111480
ON=C1CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccccc1	PC-id_145816651	395.498	LEDRUTGNFPPQCL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-111481
c1(NC(=O)CSc2n[nH]c(N)n2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-6007448682,PC-id_2200727,EMOLS-id_2466447,CoCoCo_977652,CoCoCo_977651,ZINC22_6783914	395.5	QSBAMGVOZDHZDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111482
c1(NC(=O)CSc2nnnn2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_17381683,MCULE-8382496040,CoCoCo_6826262,ZINC22_17080886,TIMTEC215635,EMOLS-id_4073952	395.5	IILCIXPDHAPLAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111483
Cc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1S(=O)(=O)N	MCULE-4442639981,CoCoCo_3854868,ZINC22_21250906,PC-id_24454090,EMOLS-id_29959622	395.5	LMZHXSXEXPJCIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111484
CC(C(=O)Nc1cccc(c1)S(=O)(=O)N)Sc1nnc2n1CCCCC2	MCULE-7441007499,EMOLS-id_11861484,PC-id_16388275	395.5	FNZBFVOHXJVNHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111485
CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)Sc1nnc2n1CCCCC2	PC-id_16318097,CHEMBL1560944,EMOLS-id_42630180,MCULE-8696603612	395.5	XBJHJZWYBVYLKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111486
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cccc(S(=O)(=O)N)c1	CoCoCo_4173137,ZINC22_9336337,PC-id_41022691	395.5	FNZBFVOHXJVNHZ-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111487
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cccc(S(=O)(=O)N)c1	ZINC22_9336336,CoCoCo_4173136,PC-id_41022690	395.5	FNZBFVOHXJVNHZ-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-111488
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc(S(=O)(=O)N)cc1	CoCoCo_3081845,ZINC22_6097763,PC-id_7877116	395.5	XBJHJZWYBVYLKE-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-111489
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc(S(=O)(=O)N)cc1	ZINC22_6097765,CoCoCo_3081844,PC-id_7877117	395.5	XBJHJZWYBVYLKE-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111490
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(N)c(nn1)C)C(=O)OC	PC-id_2603804	395.5	VEXCRALOAZRDCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111491
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(nnn1)C)C(=O)OC	PC-id_17270080	395.5	CNSFLRXULYCFAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111492
c1(CN2CCCn3c(cc(n3)C(O)c3ccnn3C)C2)c(C)nn(CC=C)c1C	PC-id_90652548,EMOLS-id_50544975,MCULE-7667755541	395.501	OXJAUTGLNDCTKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111493
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccc2c(c1)cn(n2)C(C)C	EMOLS-id_101056561	395.501	UGPMOFCYUJLLRQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111494
C=CCn1nc(C)c(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)c1C	PC-id_100066926,ZINC22_221314496	395.501	OXJAUTGLNDCTKM-NRFANRHFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111495
C=CCn1nc(C)c(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)c1C	PC-id_100066927,ZINC22_221314540	395.501	OXJAUTGLNDCTKM-OAQYLSRUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111496
CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cn4c(n3)CCNCC4)C1)CC2	ZINC22_2356147196	395.501	MNAWGCUKYITUCO-NRFANRHFSA-N	00000010100010100101000000000010000000000000000000000000	31-01-111497
CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cn4c(n3)CCNCC4)C1)CC2	ZINC22_2356147197	395.501	MNAWGCUKYITUCO-OAQYLSRUSA-N	00000010100010100101000000000010000000000000000000000000	31-01-111498
CN=C(NC1CN(C(=O)C1)c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111913127	395.501	LZMJBEZDBNAPLF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111499
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1)N1CCCC1=O	PC-id_111412540	395.501	BWDXVLQAAVBOJI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111500
O=C(NCc1n2CCCCCc2nn1)c1c2c(n(nc2)C(C)C)nc(C(C)C)c1	PC-id_24676706	395.501	LQGKHDWMSWWIJB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111501
CCNC(=NCc1nnc2n1cccc2)NCCCc1nnc2n1CCCCC2	PC-id_111014855	395.505	WRDXDHLMQMTFKM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111502
c1(NC(=O)CCC(=O)O)sc2c(CCCCCCCCCC2)c1C(=O)OC	SPECS-id_AK-968/14004750,ZINC22_3634380,EMOLS-id_4073966,CoCoCo_1851248,PC-id_4323091,TIMTEC394354,MCULE-5793614978	395.513	PZPMHVFORHISPX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111503
CCOC(=O)CCC(C(=O)OCC)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_16711295,PC-id_45355475,MCULE-1806350516	395.513	IMDQNHJLHZYCOM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111504
CCOC(=O)CC[C@H](NC(=O)c1cc2c(s1)CCCCCC2)C(=O)OCC	CoCoCo_3927547,ZINC22_12874726,PC-id_25569341	395.513	IMDQNHJLHZYCOM-HNNXBMFYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111505
CCOC(=O)CC[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)C(=O)OCC	PC-id_25569334,CoCoCo_3927546,ZINC22_12874717	395.513	IMDQNHJLHZYCOM-OAHLLOKOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111506
c1(NC(=O)C#Cc2ccccc2)sc2c(CCCCCCC2)c1C(=O)OCC	CoCoCo_6797832,MCULE-5122336812,EMOLS-id_4073978,PC-id_4634743,ZINC22_6844263,TIMTEC119982	395.514	DFKHTQVHKMFPMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111507
S(=O)(=O)(NC(=O)CCCc1c2-c(cc1)ccc(C(C)C)cc2)c1ccccc1	PC-id_86168109	395.514	CMLDXMFJFUPOAV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-111508
COC(=O)c1c(NC(=O)CN(C)CC(=O)NC(C)C)sc2c1CCCCC2	PC-id_9049345,MCULE-7122073240,ZINC22_7923413,CoCoCo_3984185,CoCoCo_3984186,EMOLS-id_16715899	395.516	YUMMZEFEDLATEU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111509
O=C(c1noc2c1CCCCC2)N1CCCC(C1)S(=O)(=O)NC1CCCC1	EMOLS-id_100160613	395.516	ZVBAODZRMYKDCB-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-111510
s1c2c(CCCCC2)c(c1NC(=O)CN(CC)CC(=O)NCC)C(=O)OC	PC-id_9433125	395.516	IFSSOSFMCJXBFP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111511
s1c2c(CCCCC2)c(c1NC(=O)CN(CC(=O)NCCC)C)C(=O)OC	PC-id_9303147	395.516	BZIPBRXQIWYMEY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111512
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C	PC-id_9426562	395.516	IHECDBADAXAYGF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111513
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(NC(=O)OCC)C(C)C	PC-id_55644534	395.516	PLGQYWHKXPHOEF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111514
Cc1c(NC(=O)c2cc3c(s2)CCCCCC3)c(=O)n(c2ccccc2)n1C	MCULE-9581017776,PC-id_25523752,ZINC22_12803038,EMOLS-id_43816142,CoCoCo_3231109	395.518	BIKHESQUDGBOBF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111515
CC(C)(C)c1ccc([C@H](C#N)NC(=O)CN2C(=O)CCCc3sccc23)cc1	PC-id_95172024,ZINC22_66396619	395.518	WYXAXXJWJHMDNH-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111516
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CN2C(=O)CCCc3sccc23)cc1	ZINC22_66396618,PC-id_95172023	395.518	WYXAXXJWJHMDNH-QGZVFWFLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111517
CC(=NNC(=O)c1c(NC(=O)C=Cc2ccccc2)sc2c1CCCCC2)C	PC-id_92046531	395.518	UDYQHDQVLAFWIE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111518
CCOC(=O)c1ncn2c1CN=C(C(=C2C)SCC#C)/C=C(/C=CC=C)CC	PC-id_142814863	395.518	BZUSJCNVQQWOMD-QVVPLNIUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-111519
COCCCN1CC(=Cc2c(S1(=O)=O)sc(c2)S(=O)(=O)N)NCC	SCHEMBL18612850	395.518	MKXTUFJLNXTMIQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-111520
N#CC(c1ccc(cc1)C(C)(C)C)NC(=O)CN1C(=O)CCCc2c1ccs2	EMOLS-id_43375367,PC-id_72138726,MCULE-8686615155	395.518	WYXAXXJWJHMDNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111521
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCc1c2c([nH]c1)cccc2	PC-id_46663762	395.518	BFAXEFWFEMTKNO-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-111522
s1c2CCCCCCc2cc1C(=O)Nc1ccc(OCc2n(ccn2)C)cc1	PC-id_52639804	395.518	AGLUFNHBDPLBBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111523
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1c2c([nH]c1)cccc2	PC-id_43004092	395.518	BIBPQHYCUREQGC-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-111524
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(CC)o3)CCn12	PC-id_45216726,ChEMBL-DNDi_CHEMBL50853049,MCULE-9694591541,EMOLS-id_20600757	395.52	SLAZZZNRKPQQSM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-111525
CCc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)o1	CoCoCo_1419385,PC-id_28133303,ZINC22_19299723,CoCoCo_1419384	395.52	SLAZZZNRKPQQSM-QGZVFWFLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-111526
CCc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)o1	PC-id_28133302,CoCoCo_1419387,CoCoCo_1419386,ZINC22_19299722	395.52	SLAZZZNRKPQQSM-KRWDZBQOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-111527
CN1CCC(CC1)N1CCN(CC1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	EMOLS-id_33086498,MCULE-8844248317,PC-id_53182841	395.52	CVKUZAHWFYKSOE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-111528
Cc1cccc2nc(N[C@@H]3CCN(C(=O)c4n[nH]c5c4CCCCC5)C3)sc12	EMOLS-id_316817173,ZINC22_1776000520,MCULE-9282965588	395.521	MVFUERORAZWOGC-CQSZACIVSA-N	00000010100000100101000001000010000000000000000000000000	31-01-111529
Cc1ccc(cc1)c1sc(c(n1)C)C(NC(=O)C1CCn2c(CC1)nnc2)C	MCULE-6888182549,EMOLS-id_319837091	395.521	SGRTZADJFXCNGD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111530
Cc1nc(CC(=O)N2CCc3nnc(CCc4ccccc4)n3CC2)c(C)s1	ZINC22_67514108,EMOLS-id_36424510,PC-id_56702671,MCULE-8744987386	395.521	VHUIMEDAHNVFPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111531
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)N)c1cccc(c1)C	PC-id_89607962,SCHEMBL15002050	395.521	RGJRCHWOCMSFSA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111532
N#Cc1c(NC(=O)CN2CCN(c3ccccn3)CC2)sc2c1CCCCC2	PC-id_4797798,CoCoCo_3571802,CoCoCo_3571801,MCULE-3863456880,ZINC22_23472023,EMOLS-id_4275833	395.521	GDBKJMGXPMIISP-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-111533
N#Cc1nccnc1N1CCN(C(C1)C)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_111226362	395.521	UNADYOKBWPYMNB-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-111534
O=C(C1CC1)NC(c1nnc2n1CCN(CC2)Cc1cc2c(s1)cccc2)C	ChEMBL-DNDi_CHEMBL76832196	395.521	PLPPRDOOEQBTEH-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-111535
O=C(c1ccc(cc1)NCc1ccsc1)NCCc1nnc2n1CCCCC2	EMOLS-id_316734034	395.521	SNRHFQSHRLHWTJ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-111536
O=C(Cc1ccccc1)NCc1nnc2n1CCN(CC2)Cc1sccc1C	CoCoCo_1283790,CoCoCo_1283791,PC-id_29150064	395.521	QSKAKGFMJVZBDF-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-111537
O=C([C@H](Cc1ncn(c1)Cc1ccccc1)N)Nc1nc2c(s1)CCCCC2	PC-id_119700481,MCULE-9992611703,EMOLS-id_301828790	395.521	SUEKRWGNOFWOAQ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111538
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)CSc1nccn1Cc1ccccc1	EMOLS-id_258138904,MCULE-1382067285	395.521	HCRSVZQBVBRQBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111539
O=C(N(Cc1nnc2n1CCCCC2)C)c1ccc(cc1)NCc1ccsc1	EMOLS-id_278506059	395.521	APSKXHMYNSZHPF-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-111540
s1c2CCCCCCc2cc1C(=O)Nc1n(nc(c1)C)c1nc(cc(n1)C)C	PC-id_52467056	395.521	ORQKLPMWNQGIDV-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-111541
s1cc(CN2CCn3c(nnc3CCNC(=O)c3ccc(cc3)C)CC2)cc1	PC-id_42341023	395.521	CWUACXKSQAENBE-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-111542
s1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc2c1cccc2	PC-id_51317240	395.521	MFMNGGVZUDPGOZ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-111543
S(=O)(=O)(N1CCCn2nc(cc2C1)CN(CCn1c(ncc1)C)C)N(C)C	PC-id_56887014	395.523	QQNTWDYIWVSMHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111544
CCCCc1cccc(c1)C(=O)c1c(C)cc2n1CCCCC2C(=O)OC(C)C	SCHEMBL11200688,PC-id_20484251	395.534	JDWXFENVVDBQOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111545
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1C[C@H](O[C@H](C1)C)C)C(=O)OCC	PC-id_7165218	395.536	XLMWTJSHQSHNCZ-OKILXGFUSA-O	00000000100010000101000000000010000000000000000000000000	31-01-111546
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1C[C@H](O[C@@H](C1)C)C)C(=O)OCC	PC-id_7165219	395.536	XLMWTJSHQSHNCZ-ZIAGYGMSSA-O	00000000100010000101000000000010000000000000000000000000	31-01-111547
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1C[C@@H](O[C@H](C1)C)C)C(=O)OCC	PC-id_7165220	395.536	XLMWTJSHQSHNCZ-KBPBESRZSA-O	00000000100010000101000000000010000000000000000000000000	31-01-111548
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CC(OC(C1)C)C)C(=O)OCC	PC-id_4292466	395.536	XLMWTJSHQSHNCZ-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-111549
s1c2CCCCCc2c(c1NC(=O)C(SC(=S)N(CC)CC)C)C#N	PC-id_24495156	395.606	CYVIBWIYDNYPHD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111631
CC(CCNC(=O)C1(C)CCc2c(C(=O)N1Cc1ccccc1)cc(n2C)C)C	PC-id_71161710,SCHEMBL14397995	395.538	IZGXEAFRUXYLMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111550
CO/C/1=C(/C=C/C=C/c2c(C=N/C=C1)[nH]c(c2)CN1CCCC1C)OCC(C)C	PC-id_144724699	395.538	GUCSPWGFLYPIOZ-QRMVDNFMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111551
O=C(Oc1nn(c2c1CCCCC2)Cc1ccccc1)N[C@@H](C1CCCCC1)C	PC-id_66647520,SCHEMBL300503	395.538	KOIIRDMSAXAIJZ-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111552
O=C(Oc1nn(c2c1CCCCC2)Cc1ccccc1)N[C@H](C1CCCCC1)C	PC-id_66647555,SCHEMBL300548	395.538	KOIIRDMSAXAIJZ-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111553
O(C(=O)NC(C1CCCCC1)C)c1nn(c2c1CCCCC2)Cc1ccccc1	PC-id_77157907	395.538	KOIIRDMSAXAIJZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111554
CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	PC-id_94782116,ZINC22_58030468	395.539	HREJJALYCBZQPD-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111555
CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	PC-id_97195840,ZINC22_95367768	395.539	HREJJALYCBZQPD-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111556
N#Cc1c(NC(=O)C2CCCN(C2)S(=O)(=O)CC)sc2c1CCCCC2	PC-id_75416553,MCULE-3117053775,EMOLS-id_48219953	395.539	HREJJALYCBZQPD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111557
N#Cc1c(NC(=O)C2CCN(CC2)S(=O)(=O)C)sc2c1CCCCCC2	EMOLS-id_110431596	395.539	WGZQXHOFAOKXAE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111558
N#Cc1c(NC(=O)C(N2CCCS(=O)(=O)CC2)C)sc2c1CCCCC2	EMOLS-id_98913128	395.539	QFPJIJDQTZNUIS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111559
C1CCn2c(CC1)nnc2Cc1ccc(cc1)NC1CCN(CC1)C1CCOC1	EMOLS-id_276236130,MCULE-5740705848	395.541	MJDHXRPXFLLSDB-UHFFFAOYSA-N	00000010100010110101100000000010000000000000000000000000	31-01-111560
c1cc(NC2CCN([C@H]3CCOC3)CC2)ccc1Cc1nnc2n1CCCCC2	ZINC22_655755056	395.541	MJDHXRPXFLLSDB-NRFANRHFSA-N	00000010100010110101100000000010000000000000000000000000	31-01-111561
c1cc(NC2CCN([C@@H]3CCOC3)CC2)ccc1Cc1nnc2n1CCCCC2	ZINC22_655755057	395.541	MJDHXRPXFLLSDB-OAQYLSRUSA-N	00000010100010110101100000000010000000000000000000000000	31-01-111562
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(CC3CCCCC3)CCn12	MCULE-7535709862,EMOLS-id_20424761,PC-id_45176156	395.541	FLFZAFYSVNJKSG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111563
C1Cn2c(nnc2CN(c2ccccc2CC)C(=O)NC2CCCCC2)CCC1	EMOLS-id_5701330,PC-id_35396056,MCULE-5859276922,CoCoCo_6415016,ZINC22_28047762	395.541	RUXOSUZRUHZFRV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111564
c1(CN(c2ccc(cc2)CC)C(=O)NC2CCCCC2)nnc2CCCCCn12	CoCoCo_6271467,EMOLS-id_10086290,ZINC22_27526553,PC-id_34883599,MCULE-4035849648	395.541	NLEWTBGMGDDEKM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111565
c1(CN(c2cccc(C)c2C)C(=O)NC2CCCCC2)nnc2CCCCCn12	EMOLS-id_10085584,PC-id_6978475,MCULE-6106081797,ZINC22_57587031,CoCoCo_6271196	395.541	KQPQPWXAUVYWBA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111566
c1(C(=O)NCC(c2ccccc2C)N2CCC(CC2)C)cn2c(CCNCC2)n1	EMOLS-id_330482979,MCULE-8981242047	395.541	DTOCMXWCRAPUIS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111567
c1(nnc2CCCCCn12)N(Cc1cccc(C)c1C)C(=O)NC1CCCCC1	ZINC22_16769775,PC-id_4752597,MCULE-9800495832	395.541	UXRJCDUQMQWIAB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111568
Cc1ccccc1[C@H](CNC(=O)c1cn2c(n1)CCNCC2)N1CCC(C)CC1	ZINC22_1857724439	395.541	DTOCMXWCRAPUIS-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111569
Cc1ccccc1[C@@H](CNC(=O)c1cn2c(n1)CCNCC2)N1CCC(C)CC1	ZINC22_1857724440	395.541	DTOCMXWCRAPUIS-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111570
Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(CC1CCCCC1)CC2	PC-id_42166719,ZINC22_11786471,CoCoCo_1165286,CoCoCo_1165287	395.541	FLFZAFYSVNJKSG-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111571
Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(CC1CCCCC1)CC2	PC-id_42166723,ZINC22_11786473,CoCoCo_1165288,CoCoCo_1165289	395.541	FLFZAFYSVNJKSG-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111572
Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1C	CoCoCo_1187829,ZINC22_19839861,PC-id_28393862,ChEMBL-DNDi_CHEMBL17532599,EMOLS-id_20440833,CoCoCo_1187830,MCULE-4725354125	395.541	VEDXCILHEKOBJQ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-111573
CC1CC(C)CN(C1)C(=O)c1ccc(c(c1)NCc1nnc2n1CCCCC2)C	EMOLS-id_100820348	395.541	RVVZRROHBYGNQW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111574
Cc1ccc(C(=O)NCCc2nnc3n2CCN(C/C=C/C(C)C)CC3)c(C)c1	ZINC22_11965637,PC-id_42319111,CoCoCo_1131929,EMOLS-id_25988451,CoCoCo_1131931	395.541	LYLNQDDHOUVVKV-AATRIKPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111575
CC1CN(CC(C1NC(=O)N1CCCc2c(C1)cnn2C)C)Cc1ccccc1	EMOLS-id_101721567	395.541	JRFIVXUJCNGPFE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111576
CCc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)NC2CCCCC2)cc1	MCULE-1829647809,ZINC22_28527912,CoCoCo_6602230,PC-id_16458807	395.541	RHECPSABBMGPGW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111577
CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1	ChEMBL-DNDi_CHEMBL56661908,PC-id_26324469,EMOLS-id_20622313,CoCoCo_1451557,ZINC22_14964286,MCULE-6572076039,CoCoCo_1451556	395.541	ZBLPICWBEAVLAU-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-111578
CC(/C=CCN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccc(cc1C)C)C	CoCoCo_1131928,CoCoCo_1131930	395.541	LYLNQDDHOUVVKV-WAYWQWQTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111579
CCCN(C(=O)C1CCn2c(CC1)nnc2)C1CCCN(C1)Cc1ccccc1	EMOLS-id_319831758,MCULE-4190033461	395.541	ZREPGGJZHBUISI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111580
n12CCN(CCc1nnc2CCNC(=O)c1ccc(cc1C)C)CC=CC(C)C	PC-id_74791838,MCULE-8285513671	395.541	LYLNQDDHOUVVKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111581
O=C(C(N1CCCCCC1)C)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_99803843	395.541	ANSUEVLZXIKNEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111582
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(CC1(C)C)Cc1ccccc1	EMOLS-id_101704451	395.541	JWRKKXKTZUSOAV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111583
O=C(N1CC(C)(C)N(CC1(C)C)Cc1ccccc1)C1CCn2c(CC1)nnc2	EMOLS-id_316722835	395.541	ZNHFOUBDBIWHGO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111584
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(C(C)(C)C)cc1	PC-id_51308061	395.541	WBFXRKXJNTWOGQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111585
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CCc1ccc(cc1)CC	PC-id_51317237	395.541	JWOYRIDEVPUKTB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111586
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CCc1c(cc(cc1)C)C	PC-id_51317252	395.541	SUTMIFDKUKFLOS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111587
O=C(N(C1CCCCC1)Cc1ccccc1)NCCc1nnc2n1CCCCC2	EMOLS-id_99808836	395.541	OAIIVYOHNJLKET-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111588
O=C(NC(c1nnc2n1CCN(CC2)C/C=C/C(C)C)C)CCc1ccccc1	ChEMBL-DNDi_CHEMBL40532093	395.541	KBUOUHNOOPQOID-BQYQJAHWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111589
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ccccc1)C#N	PC-id_8015688	395.541	PUPVKEASCGYDPO-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-111590
Cc1ccc(s1)S(=O)(=O)N1CCN(CC1)Cc1nnc2n1CCCCC2	PC-id_51331287,EMOLS-id_35580908,MCULE-5420900956	395.543	AZDQXVUTSWBBLL-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-111591
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)Cc1ccccc1	PC-id_110960289	395.544	RZMYPRZYNLBDNS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111592
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)c1ccc(cc1)C	PC-id_111923767	395.544	SKOUBDFESLJGGX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111593
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(C1)c1ccccc1	PC-id_111910097	395.544	VLVWKNMVIMFXOL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111594
CN=C(N1CCN(CC1)c1cccc(c1C)C)NCc1nnc2n1CCCCC2	PC-id_111238321	395.544	KDYBDVLGVGWWPW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-111595
CN=C(N1CCN(CC1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_110961371	395.544	LRDXWDLWGOQUFT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-111596
CN=C(NC1CCN(C1)c1ccc(cc1)C)NCCc1nnc2n1CCCCC2	PC-id_111923803	395.544	YBFATGGLEHNKLH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111597
CN=C(NC1CCN(C1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111909685	395.544	SZUWBHKXRBWTGF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111598
CN=C(NC1CC(N(C1)Cc1ccccc1)C)NCc1nnc2n1CCCCC2	PC-id_109725113	395.544	VDIUNSOTRBSBFZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111599
CN=C(NC1CCN(C1)C(c1ccccc1)C)NCc1nnc2n1CCCCC2	PC-id_119149895	395.544	LIOFADJJXGBPQH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111600
CN=C(NC1CCN(CC1)Cc1ccccc1)NCc1nnc2n1CCCCC2	PC-id_110986992	395.544	MXYGSUNXQJHRQG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111601
CN=C(NC(c1cccc(c1)N1CCCC1)C)NCc1nnc2n1CCCCC2	PC-id_109645741	395.544	SLIVBMZJCHWATC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111602
CN=C(NCc1nnc2n1CCCCC2)NCC1CCCN1Cc1ccccc1	PC-id_111583050	395.544	BUXUHKKGFMKWOQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111603
CN=C(NCc1nnc2n1CCCCC2)NCC(c1ccccc1)N1CCCC1	PC-id_111326154	395.544	JXHZWENQYCUUHP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111604
CC1CCCc2nc(sc2CCOC(=O)CC(C(C(=O)C(C1)C)(C)C)O)C	PC-id_142191261	395.556	KQUKVWOYHZIPJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111605
O=C(c1cc2c(s1)CCCCC2)N[C@H]1C[C@H](C)S(=O)(=O)c2c1ccs2	EMOLS-id_99692819	395.559	XPNRGTUKVQTBJA-FZMZJTMJSA-N	00000000100010000100000000010010000000000000000000000000	31-01-111606
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CC[NH+](CC1)C)C(=O)OCC	PC-id_3595426	395.559	UENGXUDSOSBREK-UHFFFAOYSA-P	00000000100010000101000000000010000000000000000000000000	31-01-111607
s1c2c(CCCCCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)CC)C(=O)OC	PC-id_8059392	395.559	VWOCDBWYARCHEG-UHFFFAOYSA-P	00000000100010000101000000000010000000000000000000000000	31-01-111608
CC(C)n1cc(CCCC(=O)Nc2nc3CCCCCc3s2)c2ccccc12	MCULE-2943928602,EMOLS-id_323397209	395.561	JGTTWOCYFGMKHH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-111610
O=C1NCCCCn2ncnc2S(=O)CCCCCC/C=CCCCCN1	PC-id_118528571,SCHEMBL17278722	395.563	ODLYIYBGKFKCOS-IWQZZHSRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-111611
S=c1n(nc2n1CCCCC2)CN1CCC(N(C)C(=O)OC(C)(C)C)CC1	PC-id_60271673	395.563	NSLFGFVSUWYMQD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-111612
O=C(c1[nH]c2c(c1C)CCCCCCCCCCCCC2)OCc1ccccc1	PC-id_101443386	395.577	HQRSXKRDIFWOAK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111613
CC/C=C
/C(=C(C=C)C(=C(n2c1c(C=C)/c(=C/C)/c/2=CC=C)C=C)/C=CC)/C=CC	PC-id_145085372	395.579	DQTPHIVOVVZZQV-NHIPTOLLSA-N	00000000100000000110000000000010000000000000000000000000	31-01-111614
S(C1CCCCC1)CCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_24111298	395.579	VYJYPJFKHQIGTE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111615
S(C1CCCCC1)C(C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_24026104	395.579	VOMZWLNVJIZCTA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111616
S(C1CCCCC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_24052305	395.579	FGWWYZUDAQJGSK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111617
CC(c1ccc(c2-c(c1)c(C)cc2C(=NCCCN1CCOCC1)N(C)C)C)C	PC-id_139705183	395.581	HPKFSADNYAKJNS-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-111618
CC(C)OC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2c1CCCCC2	PC-id_152223026,CHEMBL4580254	395.582	VZRSJSNETCLXIF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-111619
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)CCC)C(=O)OC	PC-id_20180732	395.582	WYTYPFHQOYJMSG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-111620
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)CC)C(=O)OCC	PC-id_19654877	395.582	HURANLFXBPVUFR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-111621
s1c2c(CCCCC2)c(c1NC(=S)NC1CCN(CC1)CC)C(=O)OC	PC-id_20180163	395.582	RCGFZSRLZKSQRZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111622
s1c2c(CCCCC2)c(c1NC(=S)NC1CCN(CC1)C)C(=O)OCC	PC-id_20180107	395.582	AORMQIKLOREPNJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111623
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)CC)C(=O)OC	PC-id_19654871	395.582	HFYIOBXTWQTFMC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-111624
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)C)C(=O)OCC	PC-id_19653816	395.582	IZYNIYKMTUSWOQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-111625
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCN(CC1)C)C(=O)OC	PC-id_20180100	395.582	OJKWMJGKJWWLBZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-111626
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/[CH+]c1c2-c(ccccc2)cc1)/C)/C	PC-id_136819243	395.599	CIDPOYNNHWQNEQ-COUOMVDDSA-N	00000010100011000110000000000010000000000000000000000000	31-01-111627
c1(C#N)c2CCCCCCCCCCc2sc1NCc1ccc(cc1)N(C)C	PC-id_1724363,ZINC22_2060346,MCULE-8860319585,SPECS-id_AE-848/13006030,CoCoCo_6876907,STOCK3S-80517,EMOLS-id_3741276	395.604	TXLNZLWADXDDID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111628
s1c2CCCCCc2c(c1NC(=O)[C@@H](SC(=S)N(CC)CC)C)C#N	PC-id_26807942	395.606	CYVIBWIYDNYPHD-LBPRGKRZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-111629
COC(=O)c1n(C)cc2c1C=CC(NS2(=O)=O)(C)Cc1ccnc(c1)Cl	PC-id_140762617	395.861	VGLNFZOSONWGQU-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-111632
Clc1c(NC(=O)C(Sc2n3CCCCCc3nn2)C)ccc([N+](=O)[O-])c1	PC-id_42985051	395.864	UXFRNOFTCKNXIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111633
c1(NC(=O)Cc2c(cccc2F)Cl)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_4074183,ZINC22_5879484,PC-id_5154728,TIMTEC343982,CoCoCo_6792866,MCULE-4459147950	395.875	NVKDHAQRNVELPG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111634
C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc(F)cc1Cl	PC-id_7352000,ZINC22_4767836,CoCoCo_2861357	395.875	MXUCHKUPSQNSJH-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-111635
C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc(F)cc1Cl	ZINC22_4767838,PC-id_7352001,CoCoCo_2861358	395.875	MXUCHKUPSQNSJH-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111636
Clc1c(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)C)ccc(F)c1	MCULE-5292206770,EMOLS-id_43703935,PC-id_16509420	395.875	MXUCHKUPSQNSJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111637
c1(NC(=O)CCC(=O)Nc2ccc(cc2Cl)F)sc2c(CCCCC2)n1	MCULE-2509048530,EMOLS-id_335003324	395.879	PNWQLAAPDJAKCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111638
c1(NC(=O)CCC(=O)Nc2ccc(c(Cl)c2)F)sc2c(CCCCC2)n1	EMOLS-id_334993340,MCULE-8893329094	395.879	PPRPZHAIBUPOJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111639
c1(C(=O)Nc2ccc(cc2)OCc2ccc(cc2)Cl)c2CCCCCc2[nH]n1	EMOLS-id_335114403,MCULE-1395424092	395.882	PXJQOKAKPYQLLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111640
Cc1ccc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccc(cc1)Cl	PC-id_134805891	395.882	KPNHNRHYEBZGTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111641
Cc1cc(ccc1)CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccc(cc1)Cl	PC-id_134805898	395.882	UMCFPZURZNVNHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111642
c1(CN(c2ccc(cc2)Cl)C(=O)Nc2ccccc2)nnc2CCCCCn12	MCULE-2324621172,CoCoCo_5790940,PC-id_4670561,EMOLS-id_543201,ZINC22_622861,TIMTEC241424	395.885	JLHCSWXLGLDDKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111643
c1(CN(c2ccccc2)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	MCULE-4091175936,ChEMBL-DNDi_CHEMBL1331143,CHEMBL1331143,CoCoCo_2580165,PC-id_2316531,EMOLS-id_2923969,ZINC22_3183245	395.885	AHEYNPUBKGBBDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111644
c1(CN(c2ccccc2)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	CoCoCo_1967135,MCULE-8645546274,PC-id_4589339,TIMTEC133554,EMOLS-id_6784425,ZINC22_2503787	395.885	DUTFNCYFRDGFIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111645
c1(CN(c2cccc(Cl)c2)C(=O)Nc2ccccc2)nnc2CCCCCn12	CoCoCo_6271192,MCULE-5885012964,EMOLS-id_10085576,ZINC22_5223347,PC-id_7565858	395.885	DXOSBDUGHCGHPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111646
c1(nnc2CCCCCn12)N(Cc1ccccc1)C(=O)Nc1ccc(cc1)Cl	MCULE-4820047071,ZINC22_16769787,PC-id_4752609	395.885	CBRVZMPFAQEITH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111647
Clc1ccc(cc1)N(Cc1nc2CCCCCn2n1)C(=O)Nc1ccccc1	CoCoCo_6600453,PC-id_16458440,MCULE-4720031336,EMOLS-id_9876214,ZINC22_28526976	395.885	QIANUDADWJULCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111648
Clc1ccc(CN(c2n3CCCCCc3nn2)C(=O)Nc2ccccc2)cc1	PC-id_5230528	395.885	VEPZZMUQRQWNEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111649
Clc1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2ccccc2)cccc1	PC-id_7565982	395.885	USIYCSSZNQDQEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111650
Clc1c(NC(=O)N(Cc2n3CCCCCc3nn2)c2ccccc2)cccc1	PC-id_7565879	395.885	WCYIDPUJGMISBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111651
n1c2CCCCCn2nc1CN(c1ccccc1)C(=O)Nc1cccc(Cl)c1	ZINC22_28527528,MCULE-7944050000,CoCoCo_6600926,PC-id_16458659	395.885	FQPJWSUSJJHXKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111652
Clc1onc(c1CCC(=O)NNC(=O)c1sc2CCCCCCc2c1)C	PC-id_56113604	395.904	CQIMRBZQMDILQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111653
c1(n2CCCCCc2[n+](CC(=O)c2ccc(Cl)cc2)n1)CNc1ccccc1	ZINC22_27028888,PC-id_34320286,MCULE-4169747409,EMOLS-id_300475065,CoCoCo_6132376	395.905	NCSIDENVZBSHFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111654
Clc1ccc(NCc2n[n+](CC(=O)c3ccccc3)c3CCCCCn23)cc1	GD-id_ZINC15974040,ChEMBL-DNDi_CHEMBL1620181,EMOLS-id_300015229,ZINC22_15974040,CoCoCo_5790959,PC-id_1638789,MCULE-8341904375	395.905	KSEHTGFCMPCWNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111655
c1(sccc1Cl)C(=O)N1CCn2c(CC1)nnc2CNC(=O)C(C)CC	MCULE-4722528760,EMOLS-id_20599477,PC-id_45216423	395.907	NDJDLUASOVRLDP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-111656
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(C(=O)c1sccc1Cl)CC2	ZINC22_12149388,CoCoCo_1417476	395.907	NDJDLUASOVRLDP-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-111657
CC[C@H](C)C(=O)NCc1nnc2n1CCN(C(=O)c1sccc1Cl)CC2	ZINC22_12149389,CoCoCo_1417477	395.907	NDJDLUASOVRLDP-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-111658
Clc1ccc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nc1	PC-id_19686311	395.927	KBJCRWWAQFVLPJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-111659
Clc1ncccc1NC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_19686523	395.927	UTQIDDDXZCWOHI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-111660
C1CCOC2=C(C=NN2C1)S(=O)(=O)OC3=C(C=C(C=C3Cl)Cl)Cl	PC-id_153278033	395.951	MEVKZUIUYYLJKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111661
CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCCC3=C(C2)C=CO3	MCULE-1941190823,EMOLS-id_257910106,PC-id_154758251	396.091	YVFGUZXBQFNVAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111662
Brc1sc(Br)c2OCC(COc12)(COCC#C)C	SCHEMBL2343156,PC-id_58403338	396.095	QUAYTYQUVPIPMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111663
CC1=C(SC=C1C2=CC=C(C=C2)C(=O)N3CCCCC4=C3C=CS4)C(=O)N	PC-id_153898178	396.097	ZOAZBFIEDHKNDR-UHFFFAOYSA-N	00000000100100110100100000000010000000000000000000000000	31-01-111664
CN1C2=C(C(=O)CNC1=O)N(C(=N2)OC3=CC=CC=C3)CC4=CC=C(C=C4)Cl	PC-id_148899654	396.099	PGNQBIXIUZGSKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111665
C[C@H]1C=CC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=NC=C3)C(C)(F)F	PC-id_153191028	396.107	WIAXXUNZAPDBJY-JTQLQIEISA-N	00000000100000101111000000000010000000000000000000000000	31-01-111666
CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C(C(C(C(F)(F)F)(F)F)(F)F)O	PC-id_163768638	396.132	MENJMTJWBZOTCN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-111667
C1=CC=C2C=C(C=C2C=C1)CC3=CC(=C(C=C3)O)C4[C@@H]([C@H]([C@@H](C(O4)CO)O)O)O	PC-id_146938362	396.157	AGJJCLBOHJQGFA-SSHHQQQNSA-N	00000010100010110110100000000010000000000000000000000000	31-01-111668
C1=CC=C2C=C(C=C2C=C1)CC3=CC(=C(C=C3)O)[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O	PC-id_161118013	396.157	AGJJCLBOHJQGFA-XNBWIAOKSA-N	00000010100010110110100000000010000000000000000000000000	31-01-111669
C=Cn1c(c2CCCOC(c2c1C(=C)OCC(=O)O)C(=O)N)Cc1ccccc1	PC-id_163753631	396.169	LSDSTMYCRTVMDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111670
Cc1cc(cc(c1)C(F)(F)F)COC(=O)N1CCCn2c(cc(n2)C(C)N)C1	PC-id_163916492	396.177	QWSBCPFCFMNQDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111671
Brc1c2s(=O)c(CCCCCCCCCC2)c1Br	PC-id_10524772	396.181	TUKAXFCWFCHFBO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-111672
Brc1sc(C(Cl)c2sc3c(CCCCC3)c2)cc1Cl	PC-id_80533620	396.193	NHJAXVWVPLIIIC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-111673
BrC(c1sc2c(CCCCC2)c1)c1cc(Cl)sc1Cl	PC-id_63444716	396.193	TUPJNORVQAUPJR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-111674
ClC(c1cc(c(s1)Cl)Br)c1cc2c(s1)CCCCC2	PC-id_113742920	396.193	UCOJFURTTCDYFP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-111675
CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)C2NC(=O)C3=NN=C4N3CCCCC4	PC-id_154569125	396.194	OGYJUBXQRJPGHP-NNQSOWQGSA-N	00000010100010000101000000000110000000000000000000000000	31-01-111676
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)C(=O)NCC4CC4)C2)C	PC-id_160512053	396.216	QTECRKRYVIVAMU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111677
Ic1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266214	396.226	ITOSCZHLKCCPJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111678
Ic1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_51266224	396.226	YADYQNSLTKFFNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111679
Ic1c(C(=O)NCc2n3CCCCCc3nn2)cccc1	PC-id_30547185	396.226	CYQHHPFPIDZYJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111680
CCC1C=C(C=C2C(=C1)NC(=C2C(=N/C(=C/N)/C=NC)C)O)/C(=C(C)/[OH2+])/C(=N)C	PC-id_153556856	396.239	PBYSJAVPKQEYCX-RPGXBYJVSA-O	00000000100000000110000000000010000000000000000000000000	31-01-111681
COCCn1nc2CCN(CCn2c1=O)C(=O)c1cncc(Br)c1	MCULE-9371134904,EMOLS-id_50589997,PC-id_91910661	396.239	OWOHLRWLNJYCIJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-111682
c1(C#N)c2CCCCCc2sc1N=Cc1ccc(I)o1	PC-id_1901358,MCULE-9198573523	396.246	SUHSEOTUFVMKOU-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-111683
Ic1ccc(/C=N/c2sc3CCCCCc3c2C#N)o1	PC-id_9660554,STOCK1S-65928,ZINC22_2276271,EMOLS-id_26253806	396.246	SUHSEOTUFVMKOU-GIJQJNRQSA-N	00000000101000000100000000000010000000000000000000000000	31-01-111684
COc1cc(c(cc1)Br)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625281	396.259	HXUXTLZZNVADAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111685
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Br)c([N+](=O)[O-])c1	EMOLS-id_16756824,ZINC22_12777667,MCULE-2555097285,PC-id_17527676,CoCoCo_4546162	396.259	YBRKEPJUWJWEGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111686
O=S(=O)(c1c[nH]c2ncc(Br)cc12)N1CCCc2occc2C1	MCULE-9247920086,ZINC22_585094272,EMOLS-id_177286957	396.259	ZGHHLDJZEXVGNR-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-111687
Brc1ccc(c2nnc(CSc3nnc4n3CCCCC4)o2)o1	ZINC22_89799897,MCULE-5663529565,EMOLS-id_45708078,PC-id_47094043	396.262	YZMVJUSUCMSTDQ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-111688
Cc1c(sc2c1C=CC(C=C2)(C)N)S(=O)(=O)NI	SCHEMBL20114492,PC-id_134476091	396.268	QCBDLCQPBXIUJU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-111689
CC1N(CCCn2c1cc(n2)C(=O)O)C(=O)CCc1cc(Cl)cc(c1)Cl	PC-id_117616530,SCHEMBL16129718	396.268	WKOBTQMBMZHUMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111690
Clc1cc(CCOC(=O)N2CCCn3c(C2)cc(n3)C(=O)C)cc(c1)Cl	PC-id_117616539,SCHEMBL16129728	396.268	IAJQEKQFMONGSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111691
O=C(N1Cc2cn[nH]c2CC(C1)(C)C)CNC(=O)c1cnc(c(c1)Cl)Cl	MCULE-5221144196,EMOLS-id_258138898	396.271	ZEIDVAFPXOBUEB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-111692
Ic1ccc(cc1)CC(=O)c1cc2c(s1)CCCCC2	PC-id_114974161	396.286	OYLIYRBOVBPMOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111693
Brc1cc(C(=O)Nc2nc3c(s2)CCCCC3)c(=O)n(c1C)C	EMOLS-id_111792339	396.302	AGPWFGFLLWDPPF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-111694
Brc1cc(n(c1)C)C(=O)NNC(=O)c1sc2CCCCCc2c1	CoCoCo_4348116,PC-id_24533020,MCULE-5423470313,EMOLS-id_44004005	396.302	ATSJUZDRTIDRMC-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-111695
Brc1cc([nH]c1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_9256423	396.302	TWFJFZZIRXJASZ-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-111696
CN(Cc1ccc(Cl)cc1Cl)C(=O)NCCc1nnc2n1CCCCC2	PC-id_40035589,CoCoCo_4793162,ZINC22_32802604,EMOLS-id_24054204,MCULE-6814762534	396.314	NJKORUPYTANABA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111697
FC(F)Oc1c(/C=C(/c2n3CCCCCc3nn2)C#N)ccc(OC(F)F)c1	CoCoCo_3559569,PC-id_6311044	396.339	ARFVNUZMDBRCFC-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111698
FC(F)Oc1c(C=C(c2n3CCCCCc3nn2)C#N)ccc(OC(F)F)c1	EMOLS-id_26138810,MCULE-4636609652,PC-id_5241150	396.339	ARFVNUZMDBRCFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111699
FC(F)Oc1c(/C=C(c2n3CCCCCc3nn2)/C#N)ccc(OC(F)F)c1	PC-id_75459071,CoCoCo_3559570	396.339	ARFVNUZMDBRCFC-WQLSENKSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111700
CCCN1C(=O)NC(=O)NC(=O)NC(=O)NC(=O)NCc2oc(C1CC)nn2	SCHEMBL18652891	396.359	ZRLFRBFLBSIVBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111701
OC(=O)CN(C(=O)c1noc2c1CCCCC2)Cc1ccc(cc1)C(F)(F)F	MCULE-1455399297,PC-id_120518000,EMOLS-id_72332402	396.36	PBBJNFHKWMWUCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111702
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(cc([N+](=O)[O-])cc1)C	PC-id_19523652	396.364	VXDDKAGXWROVOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111703
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c([N+](=O)[O-])cc(cc1)C	PC-id_19523621	396.364	VUVKHYVIZRXGNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111704
N=C/C(=C(N1C=Nn2c(C(=O)N1)ccc2)/C)/C(=O)N1CCC(CC1)C(F)(F)F	PC-id_145287342	396.367	OPXGVGPNJZCLIM-VSRYCDTGSA-N	00000000100010000111000000000010000000000000000000000000	31-01-111705
O=C1C(CCn2c(N1C)ncc2)NC(=O)c1n[nH]c2c1CC(CC2)C(F)(F)F	PC-id_140764868	396.367	LYKXVFNACQSJHI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-111706
O=C1C(CCn2c(N1C)ncc2)NC(=O)c1n[nH]c2c1C[C@H](CC2)C(F)(F)F	SCHEMBL18366338	396.367	LYKXVFNACQSJHI-QHGLUPRGSA-N	00000000100010000101000000010010000000000000000000000000	31-01-111707
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1n[nH]c2c1CC(CC2)C(F)(F)F	SCHEMBL19641532	396.367	DOKULGYOMRXSRJ-ACGXKRRESA-N	00000000100010000101000000010010000000000000000000000000	31-01-111708
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Brc1ccc(cc1)C([NH2+]Cn1nc2n(c1=S)CCCCC2)(C)C	GD-id_ZINC50898743	396.368	ATTSAQXNXZLCLX-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-111711
s1c(C(=O)COC(=C(c2n3CCCCCc3nn2)C#N)C(F)(F)F)ccc1	PC-id_4463688	396.387	AFZNBAQNKLWKFG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-111712
s1c(C(=O)CO/C(=C(/c2n3CCCCCc3nn2)C#N)/C(F)(F)F)ccc1	PC-id_6116706	396.387	AFZNBAQNKLWKFG-RVDMUPIBSA-N	00000000100100000101000000000010000000000000000000000000	31-01-111713
c12C(=O)N(CCCn1nc(C(=O)Nc1ccccc1F)c2)Cc1ccc(cc1)F	EMOLS-id_17477172,MCULE-9829488267,CoCoCo_2544576,PC-id_46347988	396.39	MMKTWSRRFAGPCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111714
c12C(=O)N(CCCn1nc(C(=O)Nc1ccccc1F)c2)Cc1cccc(F)c1	PC-id_53034519,EMOLS-id_32632934,MCULE-3173013254	396.39	POJZTZHWNHDXSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111715
c12C(=O)N(CCCn1nc(C(=O)Nc1cccc(F)c1)c2)Cc1ccc(cc1)F	PC-id_53034495,EMOLS-id_32632828,MCULE-2012235312	396.39	AGLXFSKIQFHJPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111716
c12C(=O)N(CCCn1nc(C(=O)Nc1cccc(F)c1)c2)Cc1cccc(F)c1	EMOLS-id_32632936,MCULE-7709385100,PC-id_53034520	396.39	JBFVQUHCBDPDMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111717
Fc1cc(CN2CCCn3nc(cc3C2=O)C(=O)Nc2ccc(F)cc2)ccc1	PC-id_53034521	396.39	XJNFPRIGNFZPFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111718
Fc1cc(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)ccc1F	PC-id_20964709,CoCoCo_2544505	396.39	PSCBJRZJXYWJFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111719
o1c(=O)c(C(c2c3-c(oc2=O)ccccc3)c2ccc(O)cc2)c2-c1ccccc2	PC-id_85900291	396.392	VXOIEBSWOCGGAK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-111720
COc1cc(N=Nc2c3-c(c(c2OC)C(=O)O)ccccc3)cc(c1OC)OC	PC-id_140106495	396.393	ATKGCBHBEXQYHI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-111721
c12C(=O)NCC(O)Cn1nc(C(=O)NCCc1onc(c3ccc(cc3)C)n1)c2	PC-id_119074901,EMOLS-id_82743625,MCULE-2123273465	396.4	CWQKXARGZMURHE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111722
Cc1ccc(c2noc(CCNC(=O)c3cc4n(n3)C[C@H](O)CNC4=O)n2)cc1	ZINC22_426738975	396.4	CWQKXARGZMURHE-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111723
Cc1ccc(c2noc(CCNC(=O)c3cc4n(n3)C[C@@H](O)CNC4=O)n2)cc1	ZINC22_426738976	396.4	CWQKXARGZMURHE-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111724
COc1ncc(cn1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580202,SCHEMBL14965825	396.4	NXIWTYHJEDNCEH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111725
CCC(Oc1ccccc1C(F)(F)F)CNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319675669	396.407	NNUDYVBJPSMAPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111726
C[C@@H]1CNC(=O)[C@H](CCn2c(cnn2)COC1)Cc1ccc(cc1)C(F)(F)F	PC-id_134828896	396.407	GABXPMVNYXBBOJ-UKRRQHHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111727
CC(Oc1ccc(c(c1)C(F)(F)F)CNC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_319442052	396.407	IFURMTJGCQNTDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111728
COCC(c1cccc(c1)C(F)(F)F)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318025625	396.407	SOVJPUBFIBONER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111729
FC(F)(F)c1ccc(C[C@H]2CCn3nncc3COC[C@H](CNC2=O)C)cc1	PC-id_71758849	396.407	GABXPMVNYXBBOJ-DZGCQCFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111730
FC(F)(F)c1ccc(C[C@@H]2CCn3nncc3COC[C@H](CNC2=O)C)cc1	PC-id_71759761	396.407	GABXPMVNYXBBOJ-ZFWWWQNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111731
FC(F)(F)c1ccc(C[C@@H]2CCn3nncc3COC[C@@H](CNC2=O)C)cc1	PC-id_71760241	396.407	GABXPMVNYXBBOJ-HIFRSBDPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111732
CN(c1ccc(cc1)CN(C(=O)C1CCn2c(CC1)nnn2)CC(F)(F)F)C	EMOLS-id_316568975	396.41	CJLQADFNIQQHST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111733
CN=C(NCc1nnc2n1CCCCC2)NCc1ccccc1OC(F)(F)F	PC-id_111847735	396.41	GEQMXOAQCJDDLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111734
NC(=NCc1ccc(cc1)OC(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111597996	396.41	GWUICQAWIDDKAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111735
NC(=NCCCc1nnc2n1CCCCC2)Nc1ccc(cc1)OC(F)(F)F	PC-id_111093743	396.41	OUWXGGOBHYAPHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111736
NC(=NCCCc1nnc2n1CCCCC2)Nc1ccccc1OC(F)(F)F	PC-id_112381196	396.41	FMMQFGAUMXYIDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111737
S(c1n2CCCCCc2nn1)CC(=O)NC(=O)c1ccc(OC(F)F)cc1	PC-id_7877110	396.412	FZXCHDUSNOVONY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111738
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(C)o1)c2)Cc1ccc(cc1)F	MCULE-3283354095,PC-id_50797939,EMOLS-id_32846216	396.415	QFQDQGYXCMFMQD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111739
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccco1)c2)Cc1cccc(F)c1	PC-id_53029183,EMOLS-id_32633054,MCULE-7720650275	396.415	AZOZEZCCLPARON-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111740
C1CN(CCn2c1nn(c2=O)Cc1ccccc1)C(=O)COc1ccc(cc1)F	PC-id_91922498	396.415	PDZFGMRRRORPGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111741
Cc1cc(ccc1F)c1ccc(cc1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_145578248	396.415	UFNIVILBSBALTO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111742
COc1ccc(cc1F)C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	EMOLS-id_50585963,MCULE-3446567170,PC-id_91922494	396.415	AXCDSGXXIDMGRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111743
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCc2occc2)cc1	PC-id_50797948	396.415	RFALFXILKIOWLM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111744
Fc1cc(CN2CCCn3nc(cc3C2=O)C(=O)NCc2oc(cc2)C)ccc1	PC-id_53029181	396.415	WUNUFIJSFOCKEE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-111745
CN1c2cn(C)nc2CC[C@@H](NC(=O)c2nn(Cc3ccccc3)cc2F)C1=O	BindingDB_PC-id_130299254,SCHEMBL19207799,BindingDB-id_704310	396.418	VLTVQCOEHACMRQ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111746
CN1c2cn(C)nc2CC[C@H](NC(=O)c2nn(Cc3ccccc3)cc2F)C1=O	SCHEMBL19207844,BindingDB-id_704309,BindingDB_PC-id_130299297	396.418	VLTVQCOEHACMRQ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111747
CN1c2cnn(C)c2CC[C@@H](NC(=O)c2nn(Cc3ccccc3)cc2F)C1=O	SCHEMBL19207464,BindingDB_PC-id_130298928,BindingDB-id_704318	396.418	NKIKYIKDZGIZOR-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111748
CN1c2cnn(C)c2CC[C@H](NC(=O)c2nn(Cc3ccccc3)cc2F)C1=O	SCHEMBL19207681,BindingDB-id_741631,BindingDB_PC-id_130299134	396.418	NKIKYIKDZGIZOR-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111749
Fc1c(n2nc(C(=O)NCc3n4CCCCCc4nn3)c(=O)cc2C)cccc1	PC-id_51266378	396.418	ZCRUWSYPQRBBJH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111750
O=C1C(CCc2c(N1C)cnn2C)NC(=O)c1nn(cc1F)Cc1ccccc1	SCHEMBL19207458	396.418	NKIKYIKDZGIZOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111751
O=C1C(CCc2c(N1C)cn(n2)C)NC(=O)c1nn(cc1F)Cc1ccccc1	SCHEMBL19207800	396.418	VLTVQCOEHACMRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111752
O=C1C(CCn2c(N1C)ncc2)NC(=O)c1ccn(n1)Cc1ccc(c(c1)F)C	SCHEMBL19659155	396.418	WAOIAPRGFARDPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111753
O=C1C(CCn2c(N1C)ncc2)NC(=O)c1ncn(c1)Cc1ccc(c(c1)F)C	SCHEMBL19659157	396.418	KQCJIKLUBGCCED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111754
s1c2CCCCCc2c(c1NC(=O)Cn1c(noc1=O)c1ncccn1)C#N	PC-id_56288374	396.423	RSMLBQMQZGPRCN-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-111755
c1(c2CCCCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1)C	ChEMBL-DNDi_CHEMBL3261-0778,MCULE-4904431935,PC-id_1268397,CHEMBL1475049,ZINC22_1081674,EMOLS-id_2757222,CoCoCo_1731150	396.427	KMENWDJUNLBVEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111756
c1(c2CCCCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1ccccc1C	EMOLS-id_1280388,MCULE-2817209780,ChEMBL-DNDi_CHEMBL3261-0780,ZINC22_837677,CoCoCo_138070,PC-id_1107221,TIMTEC556870,SCHEMBL20541774,CHEMBL1444023	396.427	XTBABNAIGQXLJL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111757
c1(c2CCCCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1cccc(C)c1	CoCoCo_1731151,ZINC22_666144,EMOLS-id_2757226,ChEMBL-DNDi_CHEMBL3261-0779,CHEMBL1524347,PC-id_1007061,MCULE-6975909626	396.427	QMAWPGFEWKONED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111758
c1(NC(=O)c2cccc(c2)C(F)(F)F)sc2c(CCCCC2)c1C(=O)NC	CoCoCo_5058677,EMOLS-id_5523539,ZINC22_5055784,PC-id_7475075,MCULE-3938898124	396.427	WJBPVEHLVUNMKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111759
CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc2c(s1)CCCCC2	MCULE-3723168784,CoCoCo_3198219,ZINC22_12845270,EMOLS-id_15262605,PC-id_17483996	396.427	JQRJEMVYOHIYHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111760
O=C(c1sc2c(c1)CCCCCC2)NNC(=O)c1ccccc1C(F)(F)F	PC-id_8140741,EMOLS-id_48206753,MCULE-2864864485	396.427	CNZHSVUPCDZVFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111761
O=C(CNC(=O)c1cc2c(s1)CCCCCC2)Nc1ccc(F)c(F)c1F	MCULE-8202964772,ZINC22_14249833,CoCoCo_3216993,EMOLS-id_43811670,PC-id_26010956	396.427	XLALRBABTDBUOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111762
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1cc(ccc1)C(F)(F)F	PC-id_46656937	396.427	IPYQIOQKBOHDOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111763
Cc1ccc(F)c(C(=O)N2CCc3nnc(CCc4ccccc4)n3CC2)c1F	ZINC22_67934848,PC-id_56720559,MCULE-6812552356,EMOLS-id_36461617	396.433	MMFMPKINRNQYJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111764
O1C([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O	PC-id_10340694	396.433	AGJJCLBOHJQGFA-HZQGQDIUSA-N	00000010100010110110100000000010000000000000000000000000	31-01-111765
O1C(C(O)C(O)C1c1cc(Cc2cc3-c(c2)ccccc3)ccc1O)C(O)CO	PC-id_59029781,SCHEMBL14339164	396.433	UFLSUZGBCCRXBH-UHFFFAOYSA-N	00000010100000110110100000000010000000000000000000000000	31-01-111766
O1C(C(O)(C(O)C(O)C1)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O)CO	PC-id_77700340	396.433	LSFTUXMEXHGCGM-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-111767
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O	PC-id_11524073,SCHEMBL14339156	396.433	AGJJCLBOHJQGFA-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-111768
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O	PC-id_11560307,BindingDB_PC-id_11560307,SCHEMBL980608	396.433	AGJJCLBOHJQGFA-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-111769
O1[C@H]([C@H](O)C(O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O	SCHEMBL10046215,PC-id_68016613	396.433	AGJJCLBOHJQGFA-MKSZZOGSSA-N	00000010100010110110100000000010000000000000000000000000	31-01-111770
O1[C@@H]([C@](O)([C@H](O)[C@@H](O)C1)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O)CO	PC-id_69277921	396.433	LSFTUXMEXHGCGM-AFXVXQJMSA-N	00000010100010110110100000000010000000000000000000000000	31-01-111771
OCC1OC([C@@H](C([C@@H]1O)O)O)c1cc(ccc1O)Cc1cc2-c(c1)ccccc2	PC-id_118331898,SCHEMBL17034637	396.433	AGJJCLBOHJQGFA-XIPQXFAASA-N	00000010100010110110100000000010000000000000000000000000	31-01-111772
COc1ccc(F)cc1S(=O)(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	PC-id_91922479,MCULE-7786698168,EMOLS-id_50585743	396.436	DWTFSHNNTZNLJN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111773
Fc1cc(ccc1OCC1COCC1)S(=O)(=O)N1CCCn2c(C1)cnn2	EMOLS-id_319338931	396.436	IUDOAQYEKOLKGU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111774
S(=O)(=O)(N1C(Cc2sccc2C(=O)C1)C(=O)NO)c1ccc(OC)cc1	PC-id_54392070	396.438	VHILIJXAMFUBOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111775
O=C(N1C(CCCC1)C(=O)O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049187	396.44	APHHIGKFFRXDDQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111776
O=C(N(C1CC1)CCC(=O)O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049199	396.44	SCIPXSWZCHJNMG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111777
OC(=O)C1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049188	396.44	JLKASHLDNREIKI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111778
Cc1c(cc(cc1)NC(=O)c1ccncc1)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478335	396.441	FBQLYWGMNOQHJP-UHFFFAOYSA-N	00000010100000111110000000000010000000000000000000000000	31-01-111779
COC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625682	396.441	ABHHPJQVUZYOEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111780
N#Cc1c(NC(=O)Cn2nnc(c3ccc(F)cc3)n2)sc2c1CCCCC2	CoCoCo_3646789,EMOLS-id_11733065,ZINC22_8402937,PC-id_9514185,MCULE-8271338290	396.441	MOAMARGXZYSOHZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111781
O=C(c1ccncc1)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077213	396.441	FBQLYWGMNOQHJP-WGOQTCKBSA-N	00000010100000111110000000000010000000000000000000000000	31-01-111782
C1CC1Cn1c(=O)n2CCC(CCc2n1)NC(=O)c1ccc(o1)Cn1ccnc1	PC-id_91910855	396.443	PLJVNQFJFWQSEC-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-111783
Cc1c(c2c(cc1)[nH]c(n2)CCCNC(=O)c1nn2CC(CNC(=O)c2c1)O)C	PC-id_135113595	396.443	WFRYVAUXOUJHTE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111784
CN1C(CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)C(=O)N(C)C1=O	EMOLS-id_337782337,MCULE-2045326908	396.443	ZATARWLGTADVCE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111785
CN1C(=O)[C@H](CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)N(C)C1=O	ZINC22_2356152331	396.443	ZATARWLGTADVCE-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111786
CN1C(=O)[C@@H](CC(=O)N2CCc3nc(Cc4ccccc4)nn3CC2)N(C)C1=O	ZINC22_2356152332	396.443	ZATARWLGTADVCE-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111787
COc1ccccc1c1noc([C@@H](C)NC(=O)N2CCCc3c(cnn3C)C2)n1	ZINC22_563325299	396.443	OGLOKUCJVBEJBA-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111788
COc1ccccc1c1noc([C@H](C)NC(=O)N2CCCc3c(cnn3C)C2)n1	ZINC22_563325300	396.443	OGLOKUCJVBEJBA-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111789
COc1ccccc1c1noc(n1)C(NC(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_316198446,MCULE-4635894576	396.443	OGLOKUCJVBEJBA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111790
COc1ccc(c(c1)OC)c1[nH]nc(c1)C(=O)NCc1nnc2n1CCCCC2	CoCoCo_505292,PC-id_46976713,CoCoCo_505291	396.443	ZEYXUGYKLYSIIG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111791
COCc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)o1	CoCoCo_1498778,ZINC22_19865600,MCULE-5562688748,PC-id_28409831,EMOLS-id_20653377,CoCoCo_1498777	396.443	HAJQCYCPTSZUIL-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-111792
COCCN1CCNc2c(C1=O)n(c(n2)CNc1nocc1)Cc1ccccc1	PC-id_134808658	396.443	RBLIJIQKNMJQMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111793
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncc2c(n1)C1(CCCC1)OC2	SCHEMBL18366971	396.443	MJWMOUZAYJSNJC-AWEZNQCLSA-N	00000010100000100101000000000010000000000000000000000000	31-01-111794
O=C(NCc1n2CCCCCc2nn1)CCc1onc(n1)c1ccc(OC)cc1	PC-id_46524898	396.443	XKWSLMPWMBODBW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111795
O=C(C1CS(=O)(=O)CC1C(F)(F)F)Nc1sc2c(n1)CCCCCC2	EMOLS-id_318202931	396.448	SBJFGBFBQQVUEB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-111796
c1(sc2c(CCCCC2)n1)NC(=O)c1cc2c(ccc(c2)C(F)(F)F)s1	EMOLS-id_323389511,MCULE-2038202675	396.45	AZMWEIIONGLTQT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111797
CC(C1CCc2c(S(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)F)C)C	SCHEMBL21337309,PC-id_139471310	396.455	DYBRXARIEDCDRT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-111798
S(c1n2CCCCCc2nn1)CC(=O)NCCc1ccc(OC(F)F)cc1	PC-id_8379582	396.455	AQMZOHUYNSEIQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111799
CC1(CCC=CC1)C(=O)N1CCCn2ncc(C(=O)Nc3cccc(F)c3)c2C1	EMOLS-id_313765324	396.458	WQJQUQJUXALUMD-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-111800
C[C@@]1(C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)CC=CCC1	ZINC22_1565556800	396.458	WQJQUQJUXALUMD-JOCHJYFZSA-N	00000000100011110101000000000010000000000000000000000000	31-01-111801
C[C@]1(C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)CC=CCC1	ZINC22_1614941197	396.458	WQJQUQJUXALUMD-QFIPXVFZSA-N	00000000100011110101000000000010000000000000000000000000	31-01-111802
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(o2)C)c1ccc(c(c1)C)F	SCHEMBL15002012,PC-id_89607925	396.458	FPJCAEOTZIZAHS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111803
C[C@H](NCc1nnc2n1CCOCC2)c1ccc(OCc2ccc(F)cc2)cc1	ZINC22_1614994751	396.458	KJNPERRHNLJHAG-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111804
C[C@@H](NCc1nnc2n1CCOCC2)c1ccc(OCc2ccc(F)cc2)cc1	ZINC22_1614994754	396.458	KJNPERRHNLJHAG-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111805
CCNCCN1CCc2c(CC1=O)c(c([nH]2)/C=C/1C(=O)Nc2c1cc(F)cc2)C	PC-id_143515074	396.458	GINTZWPFDRBOFX-BOPFTXTBSA-N	00000010100000100100000000001010000000000000000000000000	31-01-111806
CCNCCN1CCCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(F)cc2	SCHEMBL3134516,PC-id_68524210	396.458	VZOYRFIQAREOAJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-111807
CN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)cc2)C	PC-id_25114921,SCHEMBL3140592	396.458	IJRQGBYGTJOXOQ-VBKFSLOCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-111808
COc1cc(F)c(CN2CCc3nc(Cc4ccccc4)nn3CC2)cc1OC	EMOLS-id_337786187,ZINC22_2356152555,MCULE-8197012475	396.458	PHSCZIWYWJDGLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111809
Fc1cc2/C(=C/c3[nH]c4CCCN(C(=O)c4c3C)CCNCC)/C(=O)Nc2cc1	PC-id_25116297	396.458	VZOYRFIQAREOAJ-VBKFSLOCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-111810
Fc1cc2C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CCN(C)C)C(=O)Nc2cc1	PC-id_68526395	396.458	IJRQGBYGTJOXOQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-111811
Fc1ccc(cc1)COc1ccc(cc1)C(NCc1nnc2n1CCOCC2)C	MCULE-2818351273,EMOLS-id_320297678	396.458	KJNPERRHNLJHAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111812
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1ccc(cc1)C=O)C)C#N	PC-id_55417515	396.459	FBXVZWIHEJDTIU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111813
O=Cc1ccc(cc1)C(=O)O[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)C	GD-id_ZINC15691993	396.46	FBXVZWIHEJDTIU-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111814
c12CN(CCCn1nc(C#N)c2)C(=O)NC1CCCN(Cc2ccc(cc2)F)C1	MCULE-8354414944,EMOLS-id_177459062	396.461	CRWKNYVYKQJROI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111815
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc([nH]2)N)c1ccc(c(c1)C)F	PC-id_145587884	396.461	YUZDENUYJWJGIE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111816
Cn1cc(c2cc(F)ccc2NC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)cn1	ZINC22_663185356,EMOLS-id_316876012,MCULE-5862982013	396.461	FEHRXAGAJVJMEX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111817
Fc1ccc(n2ncc(c2CC)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55596111	396.461	BDPSXKGUODHQNS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111818
N#Cc1cc2n(n1)CCCN(C(=O)N[C@@H]1CCCN(Cc3ccc(F)cc3)C1)C2	ZINC22_584897263	396.461	CRWKNYVYKQJROI-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111819
N#Cc1cc2n(n1)CCCN(C(=O)N[C@H]1CCCN(Cc3ccc(F)cc3)C1)C2	ZINC22_584897264	396.461	CRWKNYVYKQJROI-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111820
c1(C(=O)OC)nc(sc1c1ccccc1)NC(=O)c1c2CCCCCc2[nH]n1	EMOLS-id_323250621,MCULE-1516268573	396.463	LVNVRRJGZLWOMH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111821
Cc1c[nH]c(=O)n1c1cccc(NC(=O)CN2CCCc3sccc3C2=O)c1	EMOLS-id_44566568,MCULE-5411048364,PC-id_71878183,ZINC22_84068185	396.463	QPRPSZZGNNDBJX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111822
Cc1onc(c1)C(=O)N1CCc2c(CC1)nc(s2)C(=O)NCc1ccccc1	PC-id_97442464	396.463	OAANQYCGSFLPTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111823
CCOC(=O)c1nn2c(c1)CN(CCC2)C(=O)c1ccc(s1)c1ccccn1	PC-id_58465597,SCHEMBL2522386	396.463	CZHHTVQFHVXDHN-UHFFFAOYSA-N	00000000100100101101100000000010000000000000000000000000	31-01-111824
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)c2cc[nH]c2)c1	EMOLS-id_313791038,ZINC22_1146884531	396.463	SNLHNHFWVCHALF-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-111825
N#Cc1c(sc2c1CCCCCC2)NC(=O)c1c(C)oc2c1c(=O)n(cn2)C	EMOLS-id_110431590	396.463	VZWPFUXIGHVYAB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111826
o1cc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)cc1	PC-id_26335126	396.463	UFZHKJZNYVIBHO-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-111827
o1cc(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)cc1	PC-id_26348582	396.463	AVXJYZOIDKHSOT-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-111828
o1nc(nc1C[NH+](Cc1n[nH]c2c1CCCCC2)C)c1ccc(cc1)C(=O)OC	PC-id_42528912	396.463	XQNBKLYGJXLXOK-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-111829
O(c1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)c3occc3)CC2)cc1)C	PC-id_42430474	396.463	IUBBLLUWRZXLTD-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-111830
O(c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)cc1)C	PC-id_42360756	396.463	VWJOXINUZKMWHW-OAHLLOKOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-111831
O(c1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)cc1)C	PC-id_42360759	396.463	VWJOXINUZKMWHW-HNNXBMFYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-111832
O(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cc1)C	PC-id_74799135	396.463	VWJOXINUZKMWHW-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-111833
O=c1ccc(=O)n([nH]1)c1cccc(c1)C(=O)Nc1sc2c(n1)CCCCCC2	PC-id_86873554	396.463	NOHZHZRBCPEJSW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111834
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3occc3)CC2)cccc1)C	PC-id_42166642	396.463	UZDBFDHIGKIFTE-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-111835
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(nc1)n1nccc1)C(=O)OC	PC-id_52638587	396.463	LDHQCJCNYWNOAN-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-111836
s1c2CCCCCc2c(c1NC(=O)[C@@H](Nc1cc2[nH]c(=O)oc2cc1)C)C#N	PC-id_52886885	396.463	WNQSRJLACPBJOT-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-111837
s1c2CCCCCc2c(c1NC(=O)[C@H](Nc1cc2[nH]c(=O)oc2cc1)C)C#N	PC-id_52886886	396.463	WNQSRJLACPBJOT-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111838
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc2[nH]c(=O)oc2cc1)C)C#N	PC-id_75980243	396.463	WNQSRJLACPBJOT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111839
s1c2CCCCCc2nc1NC(=O)CNC(=O)c1noc(c2ccccc2)c1	PC-id_56307876	396.463	ZFTHLNBPDBEESP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111840
s1c2CCCCCCc2cc1C(=O)NCC(=O)Nc1cc2=NC(=O)N=c2cc1	PC-id_75129573	396.463	PTIWMFANZNONKL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-111841
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(cc1)c1ocnn1	PC-id_9089392	396.463	UUWRSLDGTURREK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111842
s1c(CCn2c3NC=NCC(O)c3nc2)ccc1C(=O)OCc1ccccc1	PC-id_11795045	396.463	GZCASXRNATYYBK-UHFFFAOYSA-N	00000000100100110111000000000010000000000000000000000000	31-01-111843
CNC(=O)c1ccccc1SC1=Cc2n[nH]c(c2C#CC1)C#Cc1ccccn1	PC-id_143224176	396.464	UMECRCDONBVPPP-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-111844
c1(NC(=O)Cn2cc(cn2)NC(=O)c2ccccn2)sc2c(CCCCC2)n1	EMOLS-id_148143,PC-id_95806239,ZINC22_72345737,MCULE-2485141259,BDC-25695880	396.466	ROFWTSQZBXPHOD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-111845
Cc1nc2c(s1)N(C(=O)[C@H](CC2)NC(=O)c1n[nH]c(n1)Cc1ccccc1)C	PC-id_134255328,SCHEMBL19866134	396.466	LLMHGGYOKGQKMZ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111846
CCc1cc(Sc2nnc3n2CCCCC3)nc(c2ccc([N+](=O)[O-])cc2)n1	MCULE-4623229422,EMOLS-id_44135933,PC-id_47060298,ZINC22_54389664	396.466	WQDNSNXNSZRWJH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111847
O=C1C(CCc2c(N1C)nc(s2)C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19207532	396.466	DQXKCZGGUBUPME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111848
O=C1[C@@H](CCc2c(N1C)nc(s2)C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19207804,BindingDB_PC-id_130299259	396.466	DQXKCZGGUBUPME-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111849
O=C1[C@H](CCc2c(N1C)nc(s2)C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19207851,BindingDB_PC-id_130299304	396.466	DQXKCZGGUBUPME-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111850
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1nc(nn1)c1ccccc1	PC-id_9274601	396.466	DHVKBOPSRBAKOH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111851
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(n2nnnc2)cc1)C(=O)N	PC-id_55630255	396.466	XIJDVGVHMLIMLJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111852
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc(nn1)c1ccccc1)C(=O)N	PC-id_55487270	396.466	OVYTYGLLLNVDPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111853
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(n2nnnc2)cc1	PC-id_31362596	396.466	WPLDIONLYOZHMD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111854
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(SC(F)F)cccc1	PC-id_24644262	396.475	JEBCPTRTYWMWMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111855
s1c2CCCCCc2cc1C(=O)NNC(=O)CSc1c(F)ccc(F)c1	PC-id_9163639	396.475	HQBCIHBUDBDBKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111856
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(SC(F)F)cc1)C(=O)N	PC-id_55504749	396.475	BXAPKAJGUSKSNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111857
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(F)c(F)cc1)C(=O)N	PC-id_52475596	396.475	VBLZDEZCFVEJJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111858
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(F)c(F)cc1)C(=O)OC	PC-id_20409426	396.475	MYFGPMZHHSVXAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111859
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(F)ccc(F)c1)C(=O)OC	PC-id_17271073	396.475	DIXXPLAJCHYAHC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111860
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(F)cc(F)cc1)C(=O)OC	PC-id_20409356	396.475	ODVNVYUAIMPTFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111861
O=C(c1cc2c(s1)CCCCC2)Nc1cccc(c1F)c1ccc(=O)n(c1)C	PC-id_143646117	396.478	VRJKKUVTGUGDCW-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-111862
CCOC(=O)c1cc2c(n1Cc1cccc(c1)OC)C(=O)C(=CN(C)C)CCC2	SCHEMBL18250017,PC-id_122705203	396.479	SXFGFXVJAUERNQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111863
CCOC(=O)c1cc2c(n1Cc1ccccc1OC)C(=O)C(=CN(C)C)CCC2	SCHEMBL18250026,PC-id_122705210	396.479	GXZYZAAPBVQJKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111864
CCOC(=O)c1cc2c(n1Cc1ccc(cc1)OC)C(=O)C(=CN(C)C)CCC2	SCHEMBL18250048,PC-id_122705227	396.479	CMYHEIYKMCSLTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111865
Fc1ccc(cc1)NC(=O)C(c1ccccc1)Sc1nnc2n1CCCCC2	MCULE-5674386961,PC-id_16291142,EMOLS-id_11708031	396.481	KTBJMFIQLPITNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111866
O=C(/C=C/c1ccc(c2ccc(F)cc2)s1)NCc1nnc2n1CCCCC2	CoCoCo_4625794,ZINC22_32902613,PC-id_40138844	396.481	WLICHZQJJVPKQB-ZRDIBKRKSA-N	00000000100100110101100000000010000000000000000000000000	31-01-111867
O=C(COC(=O)c1cc2c(s1)CCCCC2)NCCN1C(=O)CSC1=O	EMOLS-id_11781931,CoCoCo_2861340,ZINC22_5361903,MCULE-7899266687,PC-id_7649899	396.481	SIAYIHSVKKVPHN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-111868
O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1	PC-id_7876820,CoCoCo_3081563,ZINC22_6097339	396.481	KTBJMFIQLPITNO-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111869
O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_6097338,CoCoCo_3081564,PC-id_7876819	396.481	KTBJMFIQLPITNO-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-111870
O=C(NCc1nnc2n1CCCCC2)/C=Cc1ccc(s1)c1ccc(cc1)F	CoCoCo_4625795	396.481	WLICHZQJJVPKQB-BENRWUELSA-N	00000000100100110101100000000010000000000000000000000000	31-01-111871
O=C(NCc1nnc2n1CCCCC2)C=Cc1ccc(s1)c1ccc(cc1)F	MCULE-5854307894,PC-id_72056287,EMOLS-id_26235040	396.481	WLICHZQJJVPKQB-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-111872
s1c(C(=Cc2ccc(F)cc2)C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_24676693	396.481	PCACXRLVQXNFKW-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-111873
c12C(=O)NCC(O)Cn1nc(C(=O)N1CCC(CC1)CCCc1ccccc1)c2	PC-id_119071849,EMOLS-id_82735473,MCULE-9269122708	396.483	WDDWPYMLVQAQPB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111874
c12C(=O)NCC(O)Cn1nc(C(=O)N(CC1CCCCC1)Cc1ccccc1)c2	PC-id_119073067,MCULE-4204700336,EMOLS-id_82738675	396.483	CARMAHTUSSONJQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111875
c1(cn2c(CCN(C(=O)CCCOc3ccccc3)CC2)n1)C(=O)N1CCCC1	MCULE-3618969511,ZINC22_1875246387,EMOLS-id_331115298	396.483	FDURDGAFCAYCSN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111876
c1(C(=O)N2CCCC2)cc2n(CCCN(C(=O)COc3ccc(cc3)CC)C2)n1	EMOLS-id_32411354,ZINC22_65432310,PC-id_50970969,SCHEMBL16099635,MCULE-6523392089	396.483	OHPKKDIGOQWTPY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111877
c1(C(=O)N(C2CCCCC2)Cc2ccccc2C)cc2n(CC(CNC2=O)O)n1	MCULE-9706355337,EMOLS-id_82743483,PC-id_119074849	396.483	TXBJIUYTBJOCNM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111878
c1(C(=O)N(C2CCCCC2)Cc2cccc(C)c2)cc2n(CC(CNC2=O)O)n1	PC-id_119063643,EMOLS-id_82713483,MCULE-7319040249	396.483	VUACSERDCKWGAA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111879
c1(C(=O)N(C2CCCCC2)CCc2ccccc2)cc2n(CC(CNC2=O)O)n1	PC-id_119068528,MCULE-9795592594,EMOLS-id_82726527	396.483	HKJAPHCBMSMZFE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111880
c1(C(=O)Nc2ccc(cc2)OCC(=O)N2CCCC2)c2CCCCCCc2[nH]n1	ZINC22_19335535,SYN-20053382,CoCoCo_497437,EMOLS-id_30439889,CoCoCo_497438,PC-id_46971980,MCULE-9542683119	396.483	CTDLZYDJJNHMNZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111881
Cc1ccccc1CN(C(=O)c1cc2n(n1)C[C@H](O)CNC2=O)C1CCCCC1	ZINC22_426737547	396.483	TXBJIUYTBJOCNM-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111882
Cc1ccccc1CN(C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)C1CCCCC1	ZINC22_426737548	396.483	TXBJIUYTBJOCNM-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111883
Cc1ccc(cc1)C(=O)NCCC(=O)N1CCCn2c(C1)cc(n2)[C@H](C1CC1)O	PC-id_100277204	396.483	SYZBBLIAJAYORT-NRFANRHFSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111884
Cc1ccc(cc1)C(=O)NCCC(=O)N1CCCn2c(C1)cc(n2)[C@@H](C1CC1)O	PC-id_100277210	396.483	SYZBBLIAJAYORT-OAQYLSRUSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111885
Cc1ccc(cc1)C(=O)NCCC(=O)N1CCCn2c(cc(n2)C(C2CC2)O)C1	PC-id_91794719	396.483	SYZBBLIAJAYORT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111886
Cc1cccc(CN(C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)C2CCCCC2)c1	ZINC22_426471065	396.483	VUACSERDCKWGAA-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111887
Cc1cccc(CN(C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)C2CCCCC2)c1	ZINC22_426471066	396.483	VUACSERDCKWGAA-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111888
CCC(c1nnc2n1CCCCC2)NC(=O)Cc1coc2c1ccc(c2C)OC	EMOLS-id_319486135	396.483	OLEMSECJBYPOME-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111889
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccccn1	SCHEMBL17777775,PC-id_121358717,BindingDB-id_731700	396.483	WWQSBTMHJNGFDN-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-111890
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccnc1	SCHEMBL17777958,BindingDB-id_731699,PC-id_121358885	396.483	GXFHMVWHWYUSPV-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-111891
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccncc1	PC-id_121358715,BindingDB-id_731701,SCHEMBL17777773	396.483	BWQLELSHIKNXKC-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-111892
CCN1CCC(C1)COc1ccncc1NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL6091956,PC-id_21953095	396.483	MCOKRVQOYOMQRK-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-111893
CC(=O)N1CCN(CC1)Cc1ccccc1NC(=O)c1noc2c1CCCCC2	EMOLS-id_101031613	396.483	ROOFHEMHPUOKNO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111894
CC(=O)N1CCN(CC1)Cc1ccc(cc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_101039302	396.483	XGEUQOOJYWJVPZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111895
CN1CCCC1CCOc1ccncc1NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL6095590,PC-id_10222385	396.483	PIEVEMJIVUHYLZ-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-111896
CN(C(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2)Cc1ccccc1	EMOLS-id_100940289	396.483	YRDDFBJKHZJYBF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111897
COC(=O)CCCCc1ccc(cc1C)C(=O)N1CC(=C)Nc2c(C1)cnn2C	PC-id_143188917	396.483	YLSXWTQASHPZDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111898
NC(=O)C1CCN(CC1)Cc1cccc(c1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100938462	396.483	CZPKMUPGILZGBX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111899
Oc1ccc(cc1)N1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)ccn2C	PC-id_10834568,SCHEMBL6775667	396.483	BWWLYXNLFQSHCU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-111900
O=C1N(CC(CC1)(Cc1cc2OCOc2cc1)C)Cc1n2CCCCCc2nn1	PC-id_70731456	396.483	USVGNNUQEYDBMF-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-111901
O=C1N(CCCN2CCN(CC2)c2ccc(O)cc2)CCC(=O)c2c1n(cc2)C	PC-id_10692137	396.483	ZHKRCUQGBSGYOW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-111902
O=C1NC[C@@H](O)Cn2nc(C(=O)N3CCC(CCCc4ccccc4)CC3)cc12	ZINC22_426641482	396.483	WDDWPYMLVQAQPB-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111903
O=C1NC[C@H](O)Cn2nc(C(=O)N3CCC(CCCc4ccccc4)CC3)cc12	ZINC22_426641484	396.483	WDDWPYMLVQAQPB-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111904
O=C1NC[C@@H](O)Cn2nc(C(=O)N(Cc3ccccc3)CC3CCCCC3)cc12	ZINC22_426677793	396.483	CARMAHTUSSONJQ-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111905
O=C1NC[C@H](O)Cn2nc(C(=O)N(Cc3ccccc3)CC3CCCCC3)cc12	ZINC22_426677796	396.483	CARMAHTUSSONJQ-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111906
O=C1NC[C@@H](O)Cn2nc(C(=O)N(CCc3ccccc3)C3CCCCC3)cc12	ZINC22_426547583	396.483	HKJAPHCBMSMZFE-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111907
O=C1NC[C@H](O)Cn2nc(C(=O)N(CCc3ccccc3)C3CCCCC3)cc12	ZINC22_426547584	396.483	HKJAPHCBMSMZFE-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111908
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1cnccc1OCCN1CCCCC1	SCHEMBL6093899,PC-id_10178885	396.483	UUMUNWQJGGUYEP-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-111909
O=C(N1CCCCCC1)Nc1ccc(cc1)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100955019	396.483	VMSRBXFXRACLHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111910
C1CCN(c2c(C1)[nH]c(n2)CCCC(C(=O)O)N)NCCCCC(C(=O)O)N	PC-id_91044249	396.484	ILIYDXRNBDTBJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-111911
C=C[C@H]1OC(=O)CNC(=O)[C@@H](C)N=C(c2nc(CNC(=O)C1)sc2)SC	PC-id_143928812	396.484	GHAJPRLDJABCJQ-NXEZZACHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-111912
S(c1n2CCCCCc2nn1)Cc1c(c(sc1C(=O)OC)N)C(=O)OC	PC-id_7876822	396.484	PYBVFTMSLCVLCA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-111913
c1(C(C(C)C)NC(=O)CC)nnc2CCN(C(=O)C=Cc3ccncc3)CCn12	PC-id_75099492,MCULE-2014941543	396.486	AWAJXSSCMCUWFK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-111914
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3ccc(cc3)NC(=O)C)CCn12	MCULE-5698161189,PC-id_45929224,EMOLS-id_232709818	396.486	RFHBMYJKTYACML-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111915
Cc1cc(ccc1)CN1CCc2ncc(n2CC1)C(=O)NCCN1CCNC1=O	PC-id_134807677	396.486	LFBXXBZHVPZIFH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111916
Cc1cc(C)cc(c1)C(=O)N1CCCC(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164515	396.486	SKNDGKJRAJFWRV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111917
Cc1cc(C)cc(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)c1	PC-id_45166211,MCULE-2793088470,EMOLS-id_232722029	396.486	UWLXWFPXLNVBDT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111918
Cc1cc(C)cc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)c1	ZINC22_20454724	396.486	UWLXWFPXLNVBDT-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111919
Cc1cc(C)cc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)c1	ZINC22_20454726	396.486	UWLXWFPXLNVBDT-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111920
Cc1ccc(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)cc1C	EMOLS-id_20410742,MCULE-4290006120,PC-id_45172912	396.486	BBHQVIHMNQJPJV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111921
Cc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)cc1C	CoCoCo_1145982,CoCoCo_1145983,ZINC22_19740516	396.486	BBHQVIHMNQJPJV-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111922
Cc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1C	CoCoCo_1145984,ZINC22_19740518,CoCoCo_1145985	396.486	BBHQVIHMNQJPJV-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111923
Cc1ccc(N2CCNC2=O)cc1NC(=O)N1Cc2cnn(C)c2CC(C)(C)C1	ZINC22_852974704,EMOLS-id_316875244,MCULE-1939452855	396.486	RHIIIHYSPQKVQC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-111924
CCc1ccc(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)cc1	PC-id_45188970,EMOLS-id_20480075,MCULE-2095818332	396.486	ZIHMWYVJYUUJBR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111925
CCc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)cc1	CoCoCo_1242858,CoCoCo_1242859,ZINC22_20453746	396.486	ZIHMWYVJYUUJBR-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111926
CCc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1	CoCoCo_1242861,CoCoCo_1242860,ZINC22_20453748	396.486	ZIHMWYVJYUUJBR-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111927
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccc2c(c1)CCN2C(=O)C	EMOLS-id_100562061	396.486	OKFDVSLCRPIUHD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-111928
CC(C)[C@H](O)c1nnc2ccc(C(=O)N(C)Cc3n[nH]c4c3CCCCC4)cn12	ZINC22_1940195806	396.486	OAXQFMBKVQSSEU-IBGZPJMESA-N	00000000100000100101000001000010000000000000000000000000	31-01-111929
CC(C)[C@@H](O)c1nnc2ccc(C(=O)N(C)Cc3n[nH]c4c3CCCCC4)cn12	ZINC22_1940195807	396.486	OAXQFMBKVQSSEU-LJQANCHMSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111930
CC(C)C(O)c1nnc2ccc(cn12)C(=O)N(C)Cc1n[nH]c2CCCCCc12	MCULE-1879053424,EMOLS-id_336479664	396.486	OAXQFMBKVQSSEU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111931
CCC(=O)NC(C(C)C)c1nnc2CCN(CCn12)C(=O)/C=C/c1ccncc1	EMOLS-id_44851885,PC-id_45187467	396.486	AWAJXSSCMCUWFK-AATRIKPKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-111932
CCC(=O)N[C@H](c1nnc2n1CCN(C(=O)/C=C/c1ccncc1)CC2)C(C)C	CoCoCo_1233529,ZINC22_11785737,CoCoCo_1233526	396.486	AWAJXSSCMCUWFK-XJDXJNMNSA-N	00000000100000101101000000000010000000000000000000000000	31-01-111933
CCC(=O)N[C@@H](c1nnc2n1CCN(C(=O)/C=C/c1ccncc1)CC2)C(C)C	ZINC22_11785738,CoCoCo_1233528,CoCoCo_1233527	396.486	AWAJXSSCMCUWFK-RRFGBZISSA-N	00000000100000101101000000000010000000000000000000000000	31-01-111934
CCN1CCNC(=O)C1CC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	MCULE-6383579595,EMOLS-id_337804169	396.486	QVGODCQRVSHMHS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111935
CCN1CCNC(=O)[C@@H]1CC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356168127	396.486	QVGODCQRVSHMHS-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111936
CCN1CCNC(=O)[C@H]1CC(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356168128	396.486	QVGODCQRVSHMHS-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111937
CCOc1ccc(cc1)c1n[nH]cc1CN(C)C1CCc2nn(C)c(=O)n2CC1	EMOLS-id_97041671,MCULE-3027647655	396.486	IALWJUXYDLYNKC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-111938
CC(=O)Nc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)cc1	ZINC22_12036373	396.486	RFHBMYJKTYACML-CQSZACIVSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111939
CC(=O)Nc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)cc1	ZINC22_12036377	396.486	RFHBMYJKTYACML-AWEZNQCLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-111940
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCN(CC1)c1ncccn1)cc2	SCHEMBL6991215,PC-id_20085246	396.486	AETYFIZASLNPNB-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-111941
COc1ccc(CN(C)C2CCc3nn(C)c(=O)n3CC2)cc1Cn1cccn1	EMOLS-id_50586175,PC-id_91922767,MCULE-8295133526	396.486	QTIYQLLIRLOVDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111942
COCC(C)n1c(CCCC(=O)N2CCCn3cncc3C2)nc2cccnc12	MCULE-5379584750,PC-id_70714419,EMOLS-id_43560317	396.486	ZWWLNDQAHKTHMU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111943
COCCC(=O)NC(C)c1nnc2CCN(Cc3cc4ccccc4[nH]3)CCn12	MCULE-6586889974,EMOLS-id_232702388,ChEMBL-DNDi_CHEMBL11488727,PC-id_45170188	396.486	RJBSZKVWRYYQRF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-111944
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2	CoCoCo_1130429,ZINC22_11964219,CoCoCo_1130430	396.486	RJBSZKVWRYYQRF-OAHLLOKOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-111945
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2	CoCoCo_1130431,CoCoCo_1130432,ZINC22_11964218	396.486	RJBSZKVWRYYQRF-HNNXBMFYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-111946
COC[C@H](C)n1c(CCCC(=O)N2CCCn3cncc3C2)nc2cccnc12	PC-id_96367910,ZINC22_77319708	396.486	ZWWLNDQAHKTHMU-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111947
COC[C@@H](C)n1c(CCCC(=O)N2CCCn3cncc3C2)nc2cccnc12	ZINC22_77319712,PC-id_96367912	396.486	ZWWLNDQAHKTHMU-MRXNPFEDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111948
n12CCN(CCc1nnc2CNC(=O)C1CCC(=O)N1)CCCc1ccccc1	EMOLS-id_20437985,ChEMBL-DNDi_CHEMBL17105662,MCULE-4798465562,PC-id_45179231	396.486	HMWWQXWRABAJEN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111949
O=C1CC[C@@H](C(=O)NCc2nnc3n2CCN(CCCc2ccccc2)CC3)N1	CoCoCo_1183750,CoCoCo_1183751,ZINC22_12197380	396.486	HMWWQXWRABAJEN-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111950
O=C1CC[C@H](C(=O)NCc2nnc3n2CCN(CCCc2ccccc2)CC3)N1	CoCoCo_1183752,CoCoCo_1183753,ZINC22_12197389	396.486	HMWWQXWRABAJEN-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-111951
O=c1n(c2c(n1CCC)cccc2)CCC(=O)NCc1n2CCCCCc2nn1	PC-id_51266392	396.486	ZBGGSCNNUKJINZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111952
O=C(C1CCn2c(CC1)nnc2)Nc1cccc(c1)CN1CCN(CC1)C(=O)C	MCULE-5972357728,EMOLS-id_320210165	396.486	MFMBTLADTUCLEZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111953
O=C(C1CCN(CC1)C(=O)Nc1ccccc1)NCc1nnc2n1CCCCC2	EMOLS-id_98308488	396.486	ROZAPBZCVUUXBG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111954
O=C(N1CCC(CC1)NC(=O)C1CCn2c(CC1)nnn2)CCc1ccccc1	EMOLS-id_316879282,MCULE-5168820638	396.486	GBRVDGXIBWNUOR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111955
O=C(N1CCN(CC1)c1ccccc1)CCNC(=O)C1CCn2c(CC1)nnc2	MCULE-5422275709,EMOLS-id_320153086	396.486	MVMUCJNTDBBXEJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-111956
O=C(Nc1ccc(cc1)Cc1nnc2n1CCCCC2)CN1CCN(C(=O)C1)C	EMOLS-id_101059501	396.486	HZUCZCKGDKPLCL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111957
O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1CCc2nnnn2CC1	ZINC22_568989027	396.486	GBRVDGXIBWNUOR-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111958
O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1CCc2nnnn2CC1	ZINC22_568989028	396.486	GBRVDGXIBWNUOR-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111959
O=C(NCc1n2CCCCCc2nn1)C1CCCN(C1)C(=O)Nc1ccccc1	PC-id_24676685	396.486	QMOHVGFJPXJHAM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-111960
O=C(C1CCCN1S(=O)(=O)c1cccs1)NC1CCn2c(CC1)nnn2	EMOLS-id_102162649	396.488	VIMZMTZVYNIAKL-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-111961
O=C(c1sccc1S(=O)(=O)N1CCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102166414	396.488	GUTGAMZNNIQOJS-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-111962
c1(C(O)c2ccnn2C)cc2n(CCCN(Cc3cnc(nc3)NCCC)C2)n1	EMOLS-id_50532167,PC-id_90649062,MCULE-8203190872	396.489	SPOSIXVDMZSDDU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-111963
CCCNc1ncc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)cn1	PC-id_100040992,ZINC22_219436627	396.489	SPOSIXVDMZSDDU-LJQANCHMSA-N	00000000100000100101000000000010000000000000000000000000	31-01-111964
CCCNc1ncc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)cn1	PC-id_100040994,ZINC22_219436717	396.489	SPOSIXVDMZSDDU-IBGZPJMESA-N	00000000100000100101000000000010000000000000000000000000	31-01-111965
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Nc1cc(N(C)C)n2c(n1)cc(n2)C	EMOLS-id_316517255	396.489	QVMSUCNUAFKDSB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-111966
O(Cc1ccccc1)CC1(COCc2ccccc2)COc2c(OC1)csc2	SCHEMBL16844910,PC-id_118181848	396.499	FOYHRPASZDGJPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-111967
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1F)C	PC-id_60532440	396.499	RAZGDXRXVMWCNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111968
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(cc(F)cc1)C	PC-id_24656429	396.499	IASGZEIRILMEFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111969
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(F)c(cc1)C	PC-id_60532416	396.499	FADQURWEJRMQSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111970
CCn1cc2c(c1)C(=O)N(CC=C2)CCCN1CCN(CC1)c1ccc(cc1)F	SCHEMBL6780665,PC-id_22738012	396.501	DGEKZLBYCTVBTQ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-111971
CCn1ccc2c1C=CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)F	PC-id_22737900,SCHEMBL6768620	396.501	ULYQQJONXDPBPC-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-111972
Fc1ccc(cc1)N1CCN(CC1)CCCCN1CC=Cc2c(C1=O)ccn2C	PC-id_22737997,SCHEMBL6780529	396.501	MQLOFQHJQZUFHZ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-111973
Fc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)c(C)cn2C	SCHEMBL6774105,PC-id_22738044	396.501	CROFNASDXKAQOD-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-111974
OC(c1ccc(s1)C(c1cc2-c(c1)ccccc2)O)c1cc2-c(c1)ccccc2	PC-id_101223564	396.501	NDJNPPKSCWWDCG-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-111975
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C#N	PC-id_22305611,MCULE-7196458756	396.503	UMLLQRWRKKWLAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111976
Cc1c2-c(c(cc2S(=O)(=O)N/N=Cc2ccccc2O)C)cc(cc1)C(C)C	PC-id_136026088,CHEMBL1837008	396.503	LQOIOZWUXSWMKW-QRVIBDJDSA-N	00000010100000110110000000000010000000000000000000000000	31-01-111977
COc1ccc(cc1OC)/C=CC(=O)Nc1sc2c(c1C#N)CCCCCC2	CoCoCo_6709411	396.503	UMLLQRWRKKWLAU-BENRWUELSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111978
COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc1OC	PC-id_6049655,ZINC22_4155289,TIMTEC481236,EMOLS-id_45936358,CoCoCo_6709410,SPECS-id_AK-968/12096271	396.503	UMLLQRWRKKWLAU-ZRDIBKRKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111979
O=C(c1sc2c(c1)CCCCCC2)Nc1ccccc1CN1C(=O)CCC1=O	EMOLS-id_98692268	396.503	WTDPXCUKKUOUGP-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-111980
O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1cc2c(s1)CCCCCC2	PC-id_46455184,MCULE-8874810393,ZINC22_46749656,EMOLS-id_44529818	396.503	GUBCKOQNOXWNEN-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-111981
s1c2CCCCCc2cc1C(=O)OCC(=O)NCCc1c2c([nH]c1)cccc2	PC-id_9403267	396.503	RLHGLOJPVWMXHL-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-111982
s1c2CCCCCc2cc1C(=O)OCC(=O)N(CCC#N)c1ccc(cc1)C	PC-id_16509401	396.503	JKIZBCDKYFINGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111983
s1c2CCCCCc2cc1C(=O)OC(C(=O)N(CCC#N)c1ccccc1)C	PC-id_42978371	396.503	MSHFKYNFGZAHBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111984
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)N(CCC#N)c1ccccc1)C	PC-id_30475062	396.503	MSHFKYNFGZAHBA-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111985
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)N(CCC#N)c1ccccc1)C	PC-id_30475063	396.503	MSHFKYNFGZAHBA-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111986
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)Cc1c(cccc1)C)C)C#N	PC-id_8398946	396.503	YCMBFOJENUKSOZ-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111987
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)Cc1c(cccc1)C)C)C#N	PC-id_8398947	396.503	YCMBFOJENUKSOZ-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111988
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)Cc1ccc(cc1)C)C)C#N	PC-id_9063171	396.503	WLZFMNAGQKVMRS-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111989
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)Cc1ccc(cc1)C)C)C#N	PC-id_9063173	396.503	WLZFMNAGQKVMRS-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111990
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(cc(cc1C)C)C)C#N	PC-id_3312311	396.503	UZNKGGLOARCZLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111991
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(C(C)C)cc1)C#N	PC-id_16521248	396.503	YXJVKHNKHBEPIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111992
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(c1ccccc1)(C)C)C#N	PC-id_24348269	396.503	BKMHUFJSVHKUNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111993
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cc1c(cccc1)C)C)C#N	PC-id_78685789	396.503	YCMBFOJENUKSOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111994
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cc1ccc(cc1)C)C)C#N	PC-id_84919565	396.503	WLZFMNAGQKVMRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111995
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCc1ccccc1)C)C#N	PC-id_55418025	396.503	UMIDWHKTNGULFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111996
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(CC)c1ccccc1)C#N	PC-id_24355711	396.503	ORNBQNTVFPEGAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111997
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@@H](CC)c1ccccc1)C#N	PC-id_41964146	396.503	ORNBQNTVFPEGAH-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111998
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@H](CC)c1ccccc1)C#N	PC-id_41964156	396.503	ORNBQNTVFPEGAH-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-111999
s1c2CCCCCCc2cc1C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1	PC-id_35434119	396.503	VEAKHWKZASYXBK-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-112000
S(=O)(=O)(NN/C=C
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S(=O)(=O)(NNC=C1C(=O)C=CC=C1)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_76391373	396.503	BWSWRRBAJZULMX-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-112002
OC(=O)CN(CC1OCCN(C1)C(=O)Nc1sc2c(n1)CCCCCC2)C	PC-id_122092691	396.504	WLMTVIJXNGUDMO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112003
C1CN(CCn2c1ncc2C(=O)NCCOc1ccccc1)Cc1cccs1	PC-id_134807964	396.506	DOVUZVWOXPHJNC-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-112004
c1(csc(Cc2ccccc2)n1)C(=O)N1CCCn2c(cc(n2)C(CC)O)C1	EMOLS-id_55680485,MCULE-6579950266,PC-id_91787166	396.506	UMCHBZBDPQMVSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112005
Cc1ccc(c(c1)n1c(SCC(=O)N2CCCc3c(C2)cco3)nnc1C)C	EMOLS-id_99422233	396.506	OKUKVTGOTFNCPM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112006
Cc1cccc(c1)N(Cc1nnc2CCCCCn12)S(=O)(=O)c1ccccc1	PC-id_34883442,CoCoCo_6271132,EMOLS-id_10085488,ZINC22_27526261,MCULE-6611046938	396.506	GMZOJLNDNKSOEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112007
Cc1ccc(cc1)S(=O)(=O)N1CCCCCc2c1nnn2Cc1ccccc1	PC-id_138453443	396.506	NTMZXZGDUCVGNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112008
Cc1csc(n1)NC(=O)c1nc2c(o1)CCN(CC2)CCCc1ccccc1	PC-id_134809574	396.506	PASUSZQDRIIRRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112009
CC(C(c1onc(n1)c1ccncc1)NC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_32169165,MCULE-2832099615,PC-id_51133651	396.506	BBBLFLRYVVKVSO-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-112010
CC(C)[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc(c2ccncc2)no1	ZINC22_58226821,PC-id_52514826	396.506	BBBLFLRYVVKVSO-SFHVURJKSA-N	00000000100000101101100000000010000000000000000000000000	31-01-112011
CC(C)[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc(c2ccncc2)no1	ZINC22_58226823,PC-id_52514827	396.506	BBBLFLRYVVKVSO-GOSISDBHSA-N	00000000100000101101100000000010000000000000000000000000	31-01-112012
CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1csc(Cc3ccccc3)n1)C2	PC-id_100151287,ZINC22_222833617	396.506	UMCHBZBDPQMVSJ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112013
CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1csc(Cc3ccccc3)n1)C2	ZINC22_222833681,PC-id_100151301	396.506	UMCHBZBDPQMVSJ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-112014
CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	CoCoCo_4222878,ZINC22_12554966,PC-id_25355260	396.506	BMNXRKFDPYCAJN-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112015
CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	PC-id_25355259,ZINC22_12554965,CoCoCo_4222877	396.506	BMNXRKFDPYCAJN-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112016
COc1cc(c2ccccc2)sc1C(=O)N(C)Cc1nnc2n1CCCCC2	EMOLS-id_32021840,PC-id_51119268,ZINC22_48367253,MCULE-4928990851	396.506	SKQVBKXRLMKMGB-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-112017
COc1ccccc1CN(C(=O)C1CCn2c(CC1)nnc2)Cc1cccs1	MCULE-9894972587,EMOLS-id_320165340	396.506	UCOCQYROCKZZCZ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-112018
COCc1sccc1C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_319955579,MCULE-2898753723	396.506	GQNVHUQEJJXCFZ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-112019
N#Cc1c(NC(=O)c2cccnc2N2CCOCC2)sc2c1CCCCCC2	PC-id_99811975,ZINC22_170642820,EMOLS-id_50308845,MCULE-3528597787	396.506	XTGNBIRJMMIPKW-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-112020
N#Cc1c(NC(=O)C(Nc2ccc(cc2)NC(=O)C)C)sc2c1CCCCC2	PC-id_45355630,EMOLS-id_16683962,MCULE-8439592252	396.506	BMNXRKFDPYCAJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112021
NC(=O)NC1CCN(CC1)Cc1ccc(cc1)Oc1nc2c(s1)CC=CC=C2	PC-id_142996962	396.506	OTTLCWHVWQGELY-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-112022
O=C1NCC[NH+](C1CC(=O)NCc1n[nH]c2c1CCCCC2)Cc1ccccc1	PC-id_74414928	396.506	ZABHEUKIQIDQOO-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-112023
O=C1NCC[NH+]([C@H]1CC(=O)NCc1n[nH]c2c1CCCCC2)Cc1ccccc1	PC-id_25279782	396.506	ZABHEUKIQIDQOO-FQEVSTJZSA-O	00000000100010110101000000000010000000000000000000000000	31-01-112024
O=C1NCC[NH+]([C@@H]1CC(=O)NCc1n[nH]c2c1CCCCC2)Cc1ccccc1	PC-id_25279784,GD-id_ZINC12439666	396.506	ZABHEUKIQIDQOO-HXUWFJFHSA-O	00000000100010110101000000000010000000000000000000000000	31-01-112025
OC(c1ccsc1)CN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccccc1	EMOLS-id_320117758,MCULE-5580131624	396.506	QEVILMSSOCAGAB-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-112026
O=C(c1noc2c1CCCCC2)N1CCN(CC1)Cc1nc2c(s1)cccc2	EMOLS-id_100939905	396.506	YTJANPOAQKDHIN-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-112027
O=C(CC1=CCCCC1)N1CCc2nc(sc2CC1)C(=O)Nc1ccncc1	ZINC22_2055793257,EMOLS-id_313793338	396.506	HAGDGGBGEGMHQY-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-112028
O=C(CSc1nnc2n1CCCCC2)N(Cc1ccccc1)Cc1ccco1	PC-id_8379321,CoCoCo_4054325,ZINC22_7280709,MCULE-4884476140,EMOLS-id_13493674	396.506	KFRSNWCWKQYFCL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-112029
s1c2CCCCCc2nc1NC(=O)c1c(c2onc(n2)C(C)(C)C)cccc1	PC-id_56443045	396.506	GTAGPMBPZCGAOW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112030
s1c2CCCCCc2nc1NC(=O)CCC(=O)N1N=C(CC1)c1ccccc1	PC-id_24611807	396.506	RTZAYLQOOKZQBM-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-112031
s1c2CCCCCCc2cc1C(=O)Nc1cc(OCCn2ncnc2)ccc1	PC-id_52642077	396.506	UBSYOHNQOYBOPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112032
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1n(c2c(n1)cccc2)C	PC-id_26263596	396.506	XFCLVKXQQHNBCO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112033
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1[nH]c2c(n1)cccc2	PC-id_30948382	396.506	GMXDJQZPEBICLS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112034
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(n1c2c(nc1)cccc2)C	PC-id_43063894	396.506	SJHKJVNXYSPTKX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112035
s1c2CCCCCCc2nc1NC(=O)C1=NN(C(C1)C(=O)C)c1ccccc1	PC-id_56352731	396.506	QBMOGGZTTBHTJB-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-112036
s1c2CCCCCCc2nc1NC(=O)C1=NN(C(=O)CC1)Cc1ccccc1	PC-id_56035100	396.506	ZWRIRNGEKDWOPP-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-112037
s1c(C(=O)NCc2n3CCCCCc3nn2)c(OCC)cc1c1ccccc1	PC-id_60472734	396.506	HXLZGHYYXUDDOH-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-112038
s1c(C(=O)NCCc2n3CCCCCc3nn2)c(OC)cc1c1ccccc1	PC-id_52337885	396.506	WVJNOWBNTORVLO-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-112039
c1(C(=O)N[C@@H]2[C@H]3CC[C@@H]2CN(C3)S(=O)(=O)N(C)C)nnc2CCCCCn12	EMOLS-id_324202525,MCULE-4241181912,ZINC22_1857701290	396.508	OGYJUBXQRJPGHP-NHAGDIPZSA-N	00000010100010000101000000000110000000000000000000000000	31-01-112040
O=C(NC1CCN(CC1)S(=O)(=O)C1CC1)NCc1nnc2n1CCCCC2	EMOLS-id_101018370	396.508	XGFISPROLGBSKI-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-112041
c1(c(CC)nc(c2ncccn2)s1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	MCULE-1581480859,ZINC22_1857721937,EMOLS-id_330441493	396.509	NJFKSIFDDQQNJC-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-112042
Cc1ccc(cc1)Nc1scnc1C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_316482557	396.509	JEWOOGOHNATJLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112043
Cc1ccc(n2nc(C)cc2NC(=O)CSc2nnc3n2CCCCC3)cc1	MCULE-8045497099,EMOLS-id_3535328,ZINC22_6879953,CoCoCo_3854807,PC-id_16261068	396.509	PTBIFMHZTQFVGJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112044
Cc1nn(c2ccccc2)c(C)c1NC(=O)CSc1nnc2n1CCCCC2	ZINC22_6098028,PC-id_7877317,EMOLS-id_11717997,CoCoCo_3082077,MCULE-1278647664	396.509	GQMRQPCLKWFAAW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112045
CCC(c1ccccc1)c1nnc(s1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_316207912,MCULE-6712158193	396.509	SVDJMRQRDINBIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112046
CC[C@@H](c1ccccc1)c1n[nH]c(=NC(=O)N2CCCc3c(cnn3C)C2)s1	ZINC22_582349680	396.509	SVDJMRQRDINBIR-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112047
CC[C@H](c1ccccc1)c1n[nH]c(=NC(=O)N2CCCc3c(cnn3C)C2)s1	ZINC22_582349681	396.509	SVDJMRQRDINBIR-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112048
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)Cc1cccs1	CoCoCo_1253640,PC-id_42330221,ChEMBL-DNDi_CHEMBL25492098,EMOLS-id_20487657,MCULE-6212905067,CoCoCo_1253639,ZINC22_11980014	396.509	UXLFQGINGFZMTF-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-112049
N#Cc1ccnc(c1)N1CCN(CC1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_101103752	396.509	LOGOPGSMWAAAFI-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-112050
O=C(c1cc(c2csc(Cc3nnc4n3CCCCC4)n2)c[nH]1)N1CCCC1	ZINC22_12793394,PC-id_25516317,CoCoCo_4270068,SCHEMBL14224992,MCULE-9753161389	396.509	IRXXKEDZNLRQMA-UHFFFAOYSA-N	00000010110000000101100000000010000000000000000000000000	31-01-112051
O=C(c1ccc2ncsc2c1)N1CCN(Cc2nnc3n2CCCCC3)CC1	EMOLS-id_44025809,MCULE-8207881429,ZINC22_32871436,PC-id_40105841,CoCoCo_4469554	396.509	FUUDPNNLYAYRLR-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-112052
O=C(CCc1cccnc1)NCc1nnc2n1CCN(CC2)Cc1cscc1	ChEMBL-DNDi_CHEMBL70756914	396.509	CUFPBVFUZYBFKO-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-112053
O=C(N1CCN(CC1)Cc1nc2c(s1)cccc2)C1CCc2n(CC1)cnn2	EMOLS-id_319104441	396.509	FOZTZPYBBDJHSF-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-112054
O=C(Nc1ccc(cc1)c1csc(n1)C)NCCc1nnc2n1CCCCC2	GD-id_ZINC43855031	396.509	OGDOYBUAONMNMQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112055
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccc(nc1)n1nc(cc1C)C	PC-id_112838295	396.509	OMYPXCHXEJDHQU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-112056
O=C(Nc1ncc(s1)Cc1cccc(c1)C)NCc1nnc2n1CCCCC2	GD-id_ZINC43575570	396.509	IEHWRYJYKPMMHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112057
O=C(Nc1ncc(s1)Cc1ccc(cc1)C)NCc1nnc2n1CCCCC2	GD-id_ZINC43575875	396.509	ZDKRQGXYYGMUSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112058
O=C(Nc1scc(n1)c1ccc(cc1)C)NCCc1nnc2n1CCCCC2	GD-id_ZINC43373060	396.509	OWLQPBBNTDQKRC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112059
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ncccn1)C#N	PC-id_22199049	396.509	JVJIGSVGYSJHSX-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-112060
S(c1n(c2ccc(C(=O)NCCc3n4CCCCCc4nn3)cc2)ccn1)C	PC-id_60496603	396.509	YDGUBNWLUOPMMG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112061
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S(c1n(c(C(=O)NCCc2n3CCCCCc3nn2)cn1)c1ccccc1)C	PC-id_55536201	396.509	PGNUFSPGHVYNKO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112063
CCc1ccccc1Nc1nc(N)nc(CSc2nnc3n2CCCCC3)n1	EMOLS-id_45708098,MCULE-4945090337,PC-id_7877271,ZINC22_6097969	396.512	HMDKUPJAJDBVET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112064
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s1c2c(CCCCC2)c(c1NC(=O)C[NH+](CC)CC(=O)NCC)C(=O)OC	PC-id_9433124	396.524	IFSSOSFMCJXBFP-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-112068
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](CC(=O)NCCC)C)C(=O)OC	PC-id_9303146	396.524	BZIPBRXQIWYMEY-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-112069
c12CN(CCCn1nc(CNC(=O)C1CCC1)c2)Cc1c(C)cc(c(C)c1)OC	EMOLS-id_46026375,PC-id_72839538,ZINC22_91505306,MCULE-1012368953	396.526	RANYBFLPWQTRKY-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-112070
c1(c2CCCCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccccc1	CoCoCo_81772,ZINC22_1104432,MCULE-9831680402,PC-id_1284306,BAS-00486841,EMOLS-id_1231013	396.526	NZFWNQLRQGLNHQ-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-112071
c1(C(=O)Nc2ccc(cc2)OCCN2CCCCC2)c2CCCCCCc2[nH]n1	BDD-25391440,PC-id_110089428,EMOLS-id_43240955,ZINC22_257339442,MCULE-2593003904	396.526	ZBTFSLDQOGUPDU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112072
CC1CCC(CC1)OCC(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2	EMOLS-id_100234399	396.526	BUARZEBXMJSOOQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112073
Cc1cn(c2c1C(=O)N(CCCN1CCN(CC1)c1ccccc1)CCC2O)C	SCHEMBL6780150,PC-id_22737889	396.526	BRLYIFYYOCZHJF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112074
CCn1cc2c(c1)C(=O)N(CCC2)CCCN1CCN(CC1)c1ccc(cc1)O	SCHEMBL6774649,PC-id_22737990	396.526	MYFBIHLRFHNBJV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112075
CCn1cc2c(c1)C(=O)N(CCC2O)CCCN1CCN(CC1)c1ccccc1	SCHEMBL6775754,PC-id_22737960	396.526	VOPOAHVNIWEJJK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112076
CCn1ccc2c1CCCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)O	PC-id_22737932,SCHEMBL6778462	396.526	SOTZPTFGNPELAO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112077
CCn1ccc2c1C(O)CCN(C2=O)CCCN1CCN(CC1)c1ccccc1	SCHEMBL6773979,PC-id_22738098	396.526	YOYDTHPRTAETMQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112078
CN1CCC(c2c(C1=O)n(CCCCN1CCN(CC1)c1ccccc1)cc2)O	PC-id_20085259,SCHEMBL6989450	396.526	KWLJYUZCKWKSNO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112079
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(n(nc1C)C)C	PC-id_8823331	396.527	VNIQZKIMYJSADV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112100
COc1ccc(cc1)C1(CCCCC1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318266487	396.526	FSLWEBMKGNSOSI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112080
COc1ccccc1N1CCN(CC1)CCCN1CCCc2c(C1=O)ccn2C	PC-id_22737927,SCHEMBL6775289	396.526	MKZMIUBPNATAKP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112081
COc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)ccn2C	PC-id_22738008,SCHEMBL6768560	396.526	PVLBMFJITVXZBR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112082
COC1CCN(C(=O)c2c1cn(c2)C)CCCN1CCN(CC1)c1ccccc1	PC-id_22738103,SCHEMBL6772919	396.526	FENKMLHTYZIAMZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112083
COC1CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccccc1	SCHEMBL6776057,PC-id_22737922	396.526	KTASZXLTDZRZSQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112084
Oc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)c(C)cn2C	SCHEMBL6772932,PC-id_22738101	396.526	UEDXTNHDTOLTRB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112085
OC1CCN(CCCN2CCN(CC2)c2ccc(cc2)C)C(=O)c2c1n(cc2)C	PC-id_21304040	396.526	AHESVHAWWGEXHZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112086
O=C1N(CCCN2CCN(CC2)Cc2ccccc2)CCC(c2c1ccn2C)O	PC-id_101028469	396.526	XGBDAJUWJKQMCD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112087
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)NC(=O)c1sccc1C	PC-id_54189628,SCHEMBL6988098	396.526	PHPFDJKTVFNLFV-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-112088
O=C(Nc1c(cccc1C(C)C)C(C)C)Cn1nc2c(c1)C(=O)NCC(C2)(C)C	EMOLS-id_316414058,MCULE-3707615678	396.526	NMGXROOYSVIHCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112089
O=C(Nc1cccc(CCCN2CCOCC2)c1)c1n[nH]c2c1CCCCCC2	PC-id_110089357,ZINC22_257341695	396.526	ZLLKXELLONFHOE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112090
O=C(Nc1cccc(OCCN2CCCCC2)c1)c1n[nH]c2c1CCCCCC2	BDD-25323795,PC-id_110089359,ZINC22_257279634,MCULE-9860063419	396.526	OHMKZUCKZJEZPM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112091
O=C(NCC1(CCCCC1)c1cc(ccc1)C)Cn1nc2n(CCCCC2)c1=O	PC-id_55802054	396.526	BNANQADTYMWRPE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112092
O=C(NCCc1n2CCCCCc2nn1)CCCC(=O)c1c(cc(cc1C)C)C	PC-id_52365368	396.526	SYWAAVHHZASBRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112093
O=C(NCCc1n2CCCCCc2nn1)CCC(=O)c1ccc(CC(C)C)cc1	PC-id_52183055	396.526	PWOOQBAVRHUFNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112094
s1c2CCCCCc2cc1C(=O)Nc1sc(c(n1)c1ccccc1)C(=O)C	PC-id_7920316	396.526	JZTDTJCELDRYDY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112095
c1(NC(=O)CN2CCN(CC2)S(=O)(=O)C)sc2c(CCCCC2)c1C#N	TIMTEC168775,EMOLS-id_2549085,PC-id_17376193,CoCoCo_1053811,ZINC22_13323731,MCULE-8896110548	396.527	GIAVVESGZUAWEK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112096
Cc1cnn2c1CCC=C(C=C2NCc1cccnc1)CC1Cc2c(C1)cccc2	SCHEMBL14050881,PC-id_71058383	396.527	PYVXEUVEIMKODI-UHFFFAOYSA-N	00000010100000101111000000001010000000000000000000000000	31-01-112097
CN(C)S(=O)(=O)c1ccc(OCCSc2nnc3n2CCCCC3)cc1	ZINC22_9577140,EMOLS-id_11811184,MCULE-7864546212,PC-id_16363943,CoCoCo_4311464	396.527	JEBFGZFPPWDFLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112098
O=S(=O)(c1cnn(c1)C1CCOCC1)Nc1sc2c(n1)CCCCCC2	EMOLS-id_111887413	396.527	FBKGUERZDVJDIQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-112099
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1oc(cc1)CC)C(C)C)C	PC-id_74802578	396.527	SLAZZZNRKPQQSM-UHFFFAOYSA-O	00000000101000000101000000000010000000000000000000000000	31-01-112101
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1oc(cc1)CC)C(C)C)C	PC-id_42429879	396.527	SLAZZZNRKPQQSM-KRWDZBQOSA-O	00000000101000000101000000000010000000000000000000000000	31-01-112102
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1oc(cc1)CC)C(C)C)C	PC-id_42429880	396.527	SLAZZZNRKPQQSM-QGZVFWFLSA-O	00000000101000000101000000000010000000000000000000000000	31-01-112103
c12CN(CCCn1nc(CN1CCCCC1C)c2)C(=O)c1cncnc1CCC	EMOLS-id_43080661,MCULE-3967432831,PC-id_56887848	396.529	ZJOBYSVNOXVNLQ-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-112104
c12nnnn1CCCCC2C(=O)N(CCc1ccccc1)CC1CCN(CC1)C	MCULE-7638977937,EMOLS-id_48443808,PC-id_72856212	396.529	BKKPNWZAWLCZDN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112105
C1CCc2nnc(n2CC1)CNC(=O)NCC1CCN(C1)CCc1ccccc1	PC-id_136523563,EMOLS-id_316866145,MCULE-1372065840	396.529	YPUXDJXUDGJKQN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112106
C1CCCc2c(CC1)c(n[nH]2)C(=O)N1CCC(CC1)Cc1nncn1CC1CC1	PC-id_91919526	396.529	ILAFWZLKJHNDQM-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-112107
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(CC(=CC)C)CCn12	PC-id_75099268,MCULE-3509432001	396.529	XIVJTDGUMCLSBE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-112108
c1(NC(=O)CSc2[nH]c3c(cc(cc3)C)n2)sc2c(CCCCC2)c1C#N	EMOLS-id_3253540,PC-id_2085814,CoCoCo_2926148,TIMTEC135392,CoCoCo_2926147,ZINC22_5927764,MCULE-4327241359	396.529	DWTXKZGSMQCVEQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112109
Cc1ccccc1CN1CCc2nnc(CNC(=O)[C@@H]3CCCN(C)C3)n2CC1	ZINC22_11972936	396.529	MXOIRAPIYRHNSK-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112110
Cc1ccccc1CN1CCc2nnc(CNC(=O)[C@H]3CCCN(C)C3)n2CC1	ZINC22_11972943	396.529	MXOIRAPIYRHNSK-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-112111
Cc1cccc(c1)N1CCN(CC1)CCCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316635221	396.529	UMOTYZQCEOMFOH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112112
CCCc1ncncc1C(=O)N1CCCn2nc(CN3CCCC[C@@H]3C)cc2C1	PC-id_95861522,ZINC22_72408641	396.529	ZJOBYSVNOXVNLQ-KRWDZBQOSA-N	00000000100010100101000000000010000000000000000000000000	31-01-112113
CCCc1ncncc1C(=O)N1CCCn2nc(CN3CCCC[C@H]3C)cc2C1	ZINC22_72408642,PC-id_95861523	396.529	ZJOBYSVNOXVNLQ-QGZVFWFLSA-N	00000000100010100101000000000010000000000000000000000000	31-01-112114
CCC(c1nnc2n1CCCCC2)NC(=O)C1CCN(CC1)c1ccc(cn1)C	PC-id_138998674,EMOLS-id_320359937,MCULE-9969475954	396.529	UMKZROHQTHHMLU-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-112115
CC(CCC=C(C)C)CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	EMOLS-id_20481555,PC-id_45189312,MCULE-1317640240,ChEMBL-DNDi_CHEMBL24356772	396.529	UFPGFICHHDUOHV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-112116
CC(=CCC[C@H](C)CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1)C	ZINC22_11872522,CoCoCo_1245078,CoCoCo_1245076	396.529	UFPGFICHHDUOHV-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-112117
CC(=CCC[C@@H](C)CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1)C	ZINC22_11872524,CoCoCo_1245077,CoCoCo_1245079	396.529	UFPGFICHHDUOHV-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-112118
C/C=C(C)/CN1CCc2nnc(C(CC(C)C)NC(=O)c3cccnc3)n2CC1	EMOLS-id_44851651,PC-id_45181821	396.529	XIVJTDGUMCLSBE-YAXRCOADSA-N	00000000100000101101000000000010000000000000000000000000	31-01-112119
C/C=C(C)/CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cccnc3)n2CC1	CoCoCo_1199476,CoCoCo_1199478,ZINC22_14881435	396.529	XIVJTDGUMCLSBE-QPUGPGLDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-112120
C/C=C(C)/CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3cccnc3)n2CC1	ZINC22_14881436,CoCoCo_1199480,CoCoCo_1199482	396.529	XIVJTDGUMCLSBE-ZHDLZBQGSA-N	00000000100000101101000000000010000000000000000000000000	31-01-112121
C/C=C(CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1cccnc1)CC(C)C)/C	CoCoCo_1199477,CoCoCo_1199475	396.529	XIVJTDGUMCLSBE-QJVFRXGESA-N	00000000100000101101000000000010000000000000000000000000	31-01-112122
C/C=C(CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1cccnc1)CC(C)C)/C	CoCoCo_1199479,CoCoCo_1199481	396.529	XIVJTDGUMCLSBE-BRHWKXANSA-N	00000000100000101101000000000010000000000000000000000000	31-01-112123
CC[C@@H](NC(=O)C1CCN(c2ccc(C)cn2)CC1)c1nnc2n1CCCCC2	ZINC22_594376385	396.529	UMKZROHQTHHMLU-GOSISDBHSA-N	00000000100010101101100000000010000000000000000000000000	31-01-112124
CC[C@H](NC(=O)C1CCN(c2ccc(C)cn2)CC1)c1nnc2n1CCCCC2	ZINC22_594376389	396.529	UMKZROHQTHHMLU-SFHVURJKSA-N	00000000100010101101100000000010000000000000000000000000	31-01-112125
C=CCOc1ccccc1CN=C(NCCc1nnc2n1CCCCC2)NCC	PC-id_111555839	396.529	YWZBPPXMWNQKNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112126
C=CCOc1ccccc1CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111556474	396.529	FBFPGJUOUPQTOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112127
C[C@H](CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccn1)CCC=C(C)C	CoCoCo_1389437,CoCoCo_1389435	396.529	VINQNFIEJRRLGB-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-112128
C[C@@H](CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccn1)CCC=C(C)C	CoCoCo_1389438,CoCoCo_1389436	396.529	VINQNFIEJRRLGB-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-112129
C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4170640,ZINC22_7059108,PC-id_40664865,CoCoCo_4170642	396.529	RQLZBALDKDJLRD-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112130
C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_40664878,CoCoCo_4170641,CoCoCo_4170639,ZINC22_7059127	396.529	RQLZBALDKDJLRD-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112131
CCNC(=NCC1Cc2c(O1)cccc2)NCCCc1nnc2n1CCCCC2	PC-id_111949577	396.529	NTNITKIDUAGYLC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112132
CCNC(=NCc1ccccc1OCC1CC1)NCc1nnc2n1CCCCC2	PC-id_111577827	396.529	YFQIQPXKDIRMKW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-112133
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(C1)c1ccc(cc1)OC	PC-id_111731679	396.529	FXAPIKGSDGEIMB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112134
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(CC1)Oc1ccccc1	PC-id_109425732	396.529	DMXIGKAGXQAFHR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112135
CCNC(=NCc1nnc2n1CCCCC2)N1CCOC(C1)c1ccccc1C	PC-id_109480661	396.529	VDICUZGZWCKJDO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112136
CN1CCCC(C1)C(=O)NCc1nnc2CCN(Cc3ccccc3C)CCn12	MCULE-7760995863,PC-id_45928999,EMOLS-id_232705534	396.529	MXOIRAPIYRHNSK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112137
CN1CCC(CN(CCc2ccccc2)C(=O)[C@H]2CCCCn3nnnc23)CC1	PC-id_97271522,ZINC22_95502703	396.529	BKKPNWZAWLCZDN-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112138
CN1CCC(CN(CCc2ccccc2)C(=O)[C@@H]2CCCCn3nnnc23)CC1	ZINC22_95502702,PC-id_97271521	396.529	BKKPNWZAWLCZDN-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112139
CN1CCN(CC1)CC(c1ccccc1)NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318136060	396.529	NIZPSBGBBFWPNA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112140
CN1CCN(CC(C1)C(=O)Nc1ccc(cc1)Cc1nnc2n1CCCCC2)C	EMOLS-id_316571440	396.529	MALVPAPJSWTSCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112141
CN(C)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1	ChEMBL-DNDi_CHEMBL48744228,CoCoCo_1407394,CoCoCo_1407393,EMOLS-id_20592805,MCULE-3817523338,PC-id_26356992,ZINC22_15001184	396.529	DRIRPCZJSNQIOA-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-112142
CN(CC1CCN(CC1)c1ccccc1NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316475807,MCULE-7044068419	396.529	RIAPOBHAKUKSSP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112143
CN=C(N1CCC(C1)COCc1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111525608	396.529	PWQPOMOWHIUKNV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112144
CN=C(N1CCC(CC1)Oc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_109428043	396.529	VXOWZMRKRUIPST-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112145
CN=C(N1CCOC(C1)c1ccccc1C)NCCc1nnc2n1CCCCC2	PC-id_109480372	396.529	ZSDGGFCIFVGKEP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112146
CN=C(NCc1ccccc1OCC1CC1)NCCc1nnc2n1CCCCC2	PC-id_111577349	396.529	IKIMVVZHGJAZES-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-112147
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1OCC1CC1)C	PC-id_109585599	396.529	CXRBIIKIGANRIS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-112148
CN=C(NCCc1ccc2c(c1)CCO2)NCCCc1nnc2n1CCCCC2	PC-id_111563472	396.529	DWYSTSZIVLREEV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112149
CN(C(=O)NCc1nnc2n1CCCCC2)C1CCCN(C1)Cc1ccccc1	MCULE-2649236285,EMOLS-id_316897037	396.529	AMEZKHWRIREREB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112150
CN(C(=O)NCc1nnc2n1CCCCC2)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC22_174122434	396.529	AMEZKHWRIREREB-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112151
CN(C(=O)NCc1nnc2n1CCCCC2)[C@H]1CCCN(Cc2ccccc2)C1	ZINC22_174122448	396.529	AMEZKHWRIREREB-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-112152
COc1ccc(cc1)C1CCN(C1)C(=NC)NCCc1nnc2n1CCCCC2	PC-id_111731745	396.529	SNEGREOUFXTAFG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112153
N#Cc1c(NC(=O)C(Sc2nc3c([nH]2)cccc3)C)sc2c1CCCCC2	PC-id_16328070,MCULE-3340828780,EMOLS-id_11764054	396.529	RQLZBALDKDJLRD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112154
O=C(N1CCC(CC1)c1ccc(cc1)C(C)(C)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102161404	396.529	JYFVNGXILUQVTN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112155
O=C(N1CCN(CC1)Cc1cc(ccc1)C)NCCc1n2CCCCCc2nn1	PC-id_52220597	396.529	TXCFBDNXPWDWBR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112156
O=C(N1CCN(CC1)CCc1ccccc1)NCCc1n2CCCCCc2nn1	PC-id_52220578	396.529	BGIQQEQDKNKBMZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112157
O=C(N(Cc1c(N2CCCC2)cccc1)C)NCCc1n2CCCCCc2nn1	PC-id_52216033	396.529	MADNQMSVKNLTLP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112158
O=C(NCc1n2CCN(CC(CCC=C(C)C)C)CCc2nn1)c1ncccc1	PC-id_45212043	396.529	VINQNFIEJRRLGB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-112159
O=C(NCc1nnc2n1CCCCC2)NCc1ccccc1CN1CCCCC1	PC-id_86928608	396.529	BMJHWVCJJCBSMS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112160
O=C(NCc1nnc2n1CCCCC2)NC[C@H]1CCN(CCc2ccccc2)C1	ZINC22_171564513	396.529	YPUXDJXUDGJKQN-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112161
O=C(NCc1nnc2n1CCCCC2)NC[C@@H]1CCN(CCc2ccccc2)C1	ZINC22_171564517	396.529	YPUXDJXUDGJKQN-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-112162
O=C(NCCc1n2CCCCCc2nn1)NCc1c(CN2CCCC2)cccc1	PC-id_55597685	396.529	DJVYMYJYVFFZEQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112163
O=C(NCCc1nnc2n1CCCCC2)NC1CCN(Cc2ccccc2)CC1	PC-id_52211954,ZINC22_45029539,MCULE-8607708201,EMOLS-id_36264697	396.529	KTBZGFAOMGPQNU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112164
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ncccc1)C#N	PC-id_31130810	396.529	GDBKJMGXPMIISP-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-112165
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2c(n1)cccc2)C)C#N	PC-id_45617354	396.529	NCICIYZPOCAZLO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112166
s1c2CCCCCc2c(c1NC(=O)CSc1nc(cc(c1C#N)C)C)C#N	PC-id_45671491	396.529	XKZCUQLJZIUUFD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-112167
s1c2CCCCCCc2c(c1NC(=O)CSc1[nH]c2c(n1)cccc2)C#N	PC-id_19644099	396.529	GPFGSRCZIXIJII-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112168
CN=C(N1CCN(CC1)c1ccccn1)NCCCc1nnc2n1CCCCC2	PC-id_111221549	396.532	YCULQOMOAAIDMJ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-112169
c1(c2CCCCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCCCC1	EMOLS-id_15925289,MCULE-9522196618,CoCoCo_1731145,PC-id_22310563	396.546	JLYVAWIWKOUWRV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-112170
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)N1CCCCC1	EMOLS-id_2375479,PC-id_2872091,MCULE-7031715308,ZINC22_5046815,CoCoCo_706661	396.546	AORXPEWCYSAODF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-112171
c1(c2CCCCCc2sc1NC(=O)c1cccc(C)c1)C(=O)N1CCCCC1	SPECS-id_AG-205/12835138,TIMTEC466920,PC-id_1821612,EMOLS-id_2384899,CoCoCo_731162,CHEMBL4530336,ZINC22_2186030,MCULE-7344662076	396.546	TWMHGQMSXAYPIR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-112172
c1(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c(CCCCC2)c1C(=O)N	MCULE-9100961458,PC-id_4640459	396.546	OJWLYJJQNKILSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112173
c1(sc2c(CCCCC2)n1)NC(=O)[C@H](C)c1ccc(cc1)C[C@@H]1CCCC1=O	MCULE-1283439002,EMOLS-id_323238058	396.546	IIIOBYAGSGUQGT-QAPCUYQASA-N	00000010100000110101000000000010000000000000000000000000	31-01-112174
CC(C)(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	PC-id_1742699,TIMTEC356998,EMOLS-id_46453632,CoCoCo_6807490,ZINC22_2083835	396.546	OJWLYJJQNKILSV-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112175
NCc1ccc2c(c1)C1(CCN(CC1)C(=O)c1cc3c(s1)CCCCC3)CO2	SCHEMBL2110636,PC-id_57750443	396.546	FMGMJOOWHXACDA-UHFFFAOYSA-N	00000010100010100100000000000010000000000000000000000000	31-01-112176
O=C(Nc1sc2c(c1C(=O)N)CCCCC2)/C=Cc1ccc(cc1)C(C)(C)C	CoCoCo_6807491	396.546	OJWLYJJQNKILSV-KAMYIIQDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112177
s1c2CCCCCc2cc1C(=O)NNC(=S)NCCCN1CCOCC1	PC-id_8726804	396.571	CTGDRBUWGQEVFQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112237
O=C(NCc1ccccc1CN1CCCC1=O)c1cc2c(s1)CCCCCC2	PC-id_40019696,MCULE-7867404703,ZINC22_32787510,EMOLS-id_44079928,CoCoCo_4760942	396.546	PVOKQOUFIHHCLO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-112178
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)CC	PC-id_32770850	396.546	UVCMIXNMNONKPI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112179
s1c2c(CCCCCC2)cc1C(=O)N1CCC(CC1)C(=O)Nc1ccccc1	PC-id_46613283	396.546	KZCNBZHWILEWMI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-112180
s1c2c(CCCCCC2)cc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1	PC-id_46674158	396.546	HCZBYGFKRFQYFK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-112181
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)C	PC-id_8125574	396.546	ADMCAQQMBYRAJB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112182
s1c2CCCCCCc2cc1C(=O)Nc1c(c(C(=O)N2CCCC2)ccc1)C	PC-id_56259760	396.546	XUPNRQWCGHWQLU-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-112183
s1c2CCCCCCc2cc1C(=O)NCc1cc(C(=O)N2CCCC2)ccc1	PC-id_55709811	396.546	SCXPORSHKXRCDR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-112184
s1c2c(CCCCCC2)cc1C(=O)NC(C(=O)NC1CC1)Cc1ccccc1	PC-id_56326381	396.546	GTPDTUMYTGYBGP-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-112185
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)N	PC-id_4079404	396.546	RUIMLEIXKMXHRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112186
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)N	PC-id_6004815	396.546	RUIMLEIXKMXHRK-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112187
s1c(C(=O)N(C2CC2)Cc2ccc(cc2)C(=O)NC)cc2c1CCCCCC2	PC-id_33349813	396.546	MZYFJBUZQJHATD-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-112188
COCC(CN1CCC(CC1)NC(=O)Nc1sc2c(n1)CCCCCC2)O	MCULE-7833991679,EMOLS-id_189704118	396.547	MEEXXYKVDLHDHE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112189
COC[C@H](O)CN1CCC(NC(=O)Nc2nc3c(s2)CCCCCC3)CC1	ZINC22_194522265	396.547	MEEXXYKVDLHDHE-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112190
COC[C@@H](O)CN1CCC(NC(=O)Nc2nc3c(s2)CCCCCC3)CC1	ZINC22_194522280	396.547	MEEXXYKVDLHDHE-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112191
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)NCCCN1CCCCCC1	EMOLS-id_317416286,MCULE-6735072818	396.547	BCGGTTKXHRXYBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112192
O=C1NCCCCn2ccnc2S(=O)(=O)CCCCC/C=CCCCCN1	SCHEMBL17278391,PC-id_118528252	396.547	IPRQLAFZZIUCKV-UPHRSURJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-112193
s1c2c(CCCCC2)c(c1NC(=O)CSc1scc(n1)C)C(=O)OC	PC-id_8303705	396.547	XEUMKAPZGAWONB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112194
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H]1c1cccn1C	CoCoCo_4231281,ZINC22_9609973,PC-id_41143999,CoCoCo_4231279	396.549	QAZWGEOVYIBBCB-HNAYVOBHSA-N	00000010110000000100100000000010000000000000000000000000	31-01-112195
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]1c1cccn1C	CoCoCo_4231286,CoCoCo_4231284,ZINC22_239386698	396.549	QAZWGEOVYIBBCB-BEFAXECRSA-N	00000010110000000100100000000010000000000000000000000000	31-01-112196
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]1c1cccn1C	ZINC22_239386699,CoCoCo_4231280,CoCoCo_4231282	396.549	QAZWGEOVYIBBCB-KXBFYZLASA-N	00000010110000000100100000000010000000000000000000000000	31-01-112197
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H]1c1cccn1C	ZINC22_9609975,PC-id_41144001,CoCoCo_4231283,CoCoCo_4231285	396.549	QAZWGEOVYIBBCB-DNVCBOLYSA-N	00000010110000000100100000000010000000000000000000000000	31-01-112198
N#Cc1c(NC(=O)C(N2CCCC2c2cccn2C)C)sc2c1CCCCC2	MCULE-5309131019,EMOLS-id_3695639,PC-id_16351341	396.549	QAZWGEOVYIBBCB-UHFFFAOYSA-N	00000010110000000100100000000010000000000000000000000000	31-01-112199
O=C(NC(c1n2CC[NH+](CC3CCCCC3)CCc2nn1)C)c1c(cccc1)C	PC-id_74780409	396.549	FLFZAFYSVNJKSG-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-112200
O=C(NCCc1n2CC[NH+](CCc2nn1)C/C=C/C(C)C)c1c(cc(cc1)C)C	PC-id_42319110	396.549	LYLNQDDHOUVVKV-AATRIKPKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-112201
O=C(NCCc1n2CC[NH+](CCc2nn1)CC=CC(C)C)c1c(cc(cc1)C)C	PC-id_74791837	396.549	LYLNQDDHOUVVKV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-112202
O=C(N[C@@H](c1n2CC[NH+](CC3CCCCC3)CCc2nn1)C)c1c(cccc1)C	PC-id_42166718	396.549	FLFZAFYSVNJKSG-GOSISDBHSA-O	00000000100010110101000000000010000000000000000000000000	31-01-112203
O=C(N[C@H](c1n2CC[NH+](CC3CCCCC3)CCc2nn1)C)c1c(cccc1)C	PC-id_42166722	396.549	FLFZAFYSVNJKSG-SFHVURJKSA-O	00000000100010110101000000000010000000000000000000000000	31-01-112204
s1c2CCCCCCCCCCc2nc1NC(=O)Cn1c2c(nc1)cccc2	PC-id_30376834	396.549	QBNYVOUQBAEEFM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112205
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1c(cccc1)C#N	PC-id_30376828	396.549	KXQGTSBEMXWDER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112206
s1c2N(CCCCc2nc1C=Cc1ccccc1)C(=O)CN1CCN(CC1)C	PC-id_54259757	396.549	RCQPYXYWDHXKKC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112207
S(C(C(=O)/C=C/1N(c2c(C1(C)C)cccc2)C)C)c1n2CCCCCc2nn1	PC-id_24577593	396.549	VQGRKMIKAHWPQL-RGEXLXHISA-N	00000010100000100101000000001010000000000000000000000000	31-01-112208
S(C(C(=O)C=C1N(c2c(C1(C)C)cccc2)C)C)c1n2CCCCCc2nn1	PC-id_74298159	396.549	VQGRKMIKAHWPQL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112209
CCNC(=NCCc1nnc2n1CCCCC2)N1CCS(=O)(=O)C(C1)(C)C	PC-id_109704357	396.551	XMMMCZHTXAUNNP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112210
CN=C(N1CCS(=O)(=O)C(C1)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109702333	396.551	DFRJACBXPCFIEB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112211
COCCCNC(=O)CN1CCN(Cn2nc3n(c2=S)CCCCC3)CC1	CoCoCo_4206704,CoCoCo_4206703,EMOLS-id_15282998,MCULE-9509673466,ZINC22_23258122,PC-id_30961456	396.551	XVIKMHMDOQGPMV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112212
c1(NC(=S)NCC2CCCO2)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC290714,EMOLS-id_4075113,MCULE-7901892864,PC-id_3275864	396.567	LNXJRDKLJVJSLP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-112213
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CC(C)OC(C)C1	PC-id_2957521,MCULE-1070474128,TIMTEC332126,EMOLS-id_2318781,Chemmine_19139	396.567	NIBIQFPMMGIUFT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112214
CCOC(=O)c1c(NC(=S)N2C[C@H](C)O[C@@H](C)C2)sc2c1CCCCC2	CoCoCo_1001590,ZINC22_2857978,PC-id_2211276	396.567	NIBIQFPMMGIUFT-STQMWFEESA-N	00000000100010000101000000000010000000000000000000000000	31-01-112215
CCOC(=O)c1c(NC(=S)N2C[C@@H](C)O[C@H](C)C2)sc2c1CCCCC2	PC-id_2211275,ZINC22_2857977,CoCoCo_1001589	396.567	NIBIQFPMMGIUFT-CHWSQXEVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112216
CCOC(=O)c1c(NC(=S)N2C[C@H](C)O[C@H](C)C2)sc2c1CCCCC2	ZINC22_16361079,CoCoCo_1001591,PC-id_2211274	396.567	NIBIQFPMMGIUFT-BETUJISGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112217
CCOC(=O)c1c(NC(=S)NC[C@H]2CCCO2)sc2c1CCCCCC2	CoCoCo_6799973,PC-id_40575838,ZINC22_5979989	396.567	LNXJRDKLJVJSLP-CYBMUJFWSA-N	00000010100000000100000000000010000000000000000000000000	31-01-112218
CCOC(=O)c1c(NC(=S)NC[C@@H]2CCCO2)sc2c1CCCCCC2	PC-id_40575837,CoCoCo_6799972,ZINC22_5979988	396.567	LNXJRDKLJVJSLP-ZDUSSCGKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-112219
O=C(c1sc2c(c1)CCCCCC2)N1CCC(CC1)N1CCCS1(=O)=O	EMOLS-id_101671094	396.567	CHCYESPKVLGPAQ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-112220
O=C(c1sc2c(c1)CCCCCC2)N1CCN(CC1)C1CCS(=O)(=O)C1	PC-id_60594551,EMOLS-id_98432841	396.567	CZLDMGVDKSAXTQ-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-112221
O=C(c1sc2c(c1)CCCCCC2)NC1CCN(CC1)S(=O)(=O)C1CC1	EMOLS-id_111883027	396.567	VUPHBDZNPJFEMM-UHFFFAOYSA-N	00100000100010000100000000000010000000000000000000000000	31-01-112222
O=C(N1CCCC(C1)N1CCCS1(=O)=O)c1sc2c(c1)CCCCCC2	EMOLS-id_99956028	396.567	DZXSYKBBEAYLOK-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-112223
s1c2c(CCCCC2)c(c1NC(=S)NC(C1OCCC1)C)C(=O)OCC	PC-id_19675954	396.567	VJOLCYNSLTWLHI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-112224
s1c2c(CCCCCC2)c(c1NC(=S)N1CC(OC(C1)C)C)C(=O)OC	PC-id_19654303	396.567	YSNVUDWLNORHLZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112225
s1c2c(CCCCCC2)c(c1NC(=S)NC(C1OCCC1)C)C(=O)OC	PC-id_19675950	396.567	VAMSZGVSDZBAIM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-112226
S1(=O)(=O)C[C@H](N2CCN(CC2)C(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_9500793	396.567	CZLDMGVDKSAXTQ-MRXNPFEDSA-N	00000010100010000101100000000010000000000000000000000000	31-01-112227
S1(=O)(=O)C[C@@H](N2CCN(CC2)C(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_9500795	396.567	CZLDMGVDKSAXTQ-INIZCTEOSA-N	00000010100010000101100000000010000000000000000000000000	31-01-112228
S1(=O)(=O)CC(N2CCCC2)C(NC(=O)c2sc3c(CCCCCC3)c2)C1	PC-id_56409478	396.567	BGPDBKCMXJZEMZ-UHFFFAOYSA-N	00000010100000000100100000000010000000000000000000000000	31-01-112229
c12CN(CCCn1nc(CN(C)CCC1CCCCO1)c2)Cc1ccccc1C	MCULE-5234752541,PC-id_56887392,EMOLS-id_43078821	396.569	XLOQMPIROSFMLM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112230
Cc1ccccc1CN1CCCn2nc(CN(C)CC[C@H]3CCCCO3)cc2C1	ZINC22_230184632,PC-id_100903502	396.569	XLOQMPIROSFMLM-XMMPIXPASA-N	00000000100010110101000000000010000000000000000000000000	31-01-112231
Cc1ccccc1CN1CCCn2nc(CN(C)CC[C@@H]3CCCCO3)cc2C1	ZINC22_72133552,PC-id_95711357	396.569	XLOQMPIROSFMLM-DEOSSOPVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112232
s1c2CCCCCc2cc1C(=O)Nc1scc(n1)c1c(cc(cc1C)C)C	PC-id_7918505	396.569	PREYGYZWDJSQKN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112233
s1c2CCCCCc2cc1C(=O)Nc1scc(n1)c1c(cc(c(c1)C)C)C	PC-id_7924834	396.569	WOUNJOVPZXBPJC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112234
COC1CN(C)CCc2c(C1)nnn2CC(COCC(CN(N)C)(C)C)(C)C	SCHEMBL21443584,PC-id_139565427	396.571	KAMUTQGLAAOECE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112235
O=C(Nc1nc2c(s1)CCCCC2)NCC1(CSCC1)N1CCOCC1	EMOLS-id_98018980	396.571	RQMWJTFNSPYPQN-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-112236
s1c2c(CCCCC2)c(c1NC(=S)NN1CCN(CC1)C)C(=O)OCC	PC-id_19653784	396.571	ZZJYKCPRTGMRFM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112238
s1c2c(CCCCCC2)c(c1NC(=S)NN1CCN(CC1)C)C(=O)OC	PC-id_19653779	396.571	DBUJGXRORLWGEP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112239
CC1(C)C=Cc2c(C=C1)nc([nH]2)SCSc1nc2c([nH]1)C=CC(C=C2)(C)C	PC-id_141830769	396.572	JQLBPLNYHOLZLL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-112240
CCc1ccc(cc1)C(CNC(=NC)NCCc1nnc2n1CCCCC2)(C)C	PC-id_109465088	396.572	KCBRFYUJWZVGMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112241
C=C/C=CC1=NCCN(C)CN(CC)C=c2[nH]c(=CN(CN(C1)CC)C=C)cc2	PC-id_142140543	396.572	LALBQEYZJCKGJR-SDDZXJHNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-112242
CCCCNC(=NCc1ccc(cc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111093767	396.572	GBLOIQOPDONIGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112243
CCNC(=NCc1nnc2n1CCCCC2)NC(c1ccc(cc1)CC(C)C)C	PC-id_111298667	396.572	XLHKBBDZHUSIOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112244
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccc(cc1)CC)(C)C	PC-id_109465020	396.572	HQGZDIPIEPHZQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112245
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccccc1)(CC)CC	PC-id_111694542	396.572	CUYMRQUBNGUBGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112246
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccc(cc1)C(C)(C)C	PC-id_111892067	396.572	NBXANNFYANDVEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112247
CCNC(=NCc1nnc2n1CCCCC2)NCCCc1ccc(cc1)C(C)C	PC-id_111549600	396.572	LACRVJNHISAKFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112248
CCNC(=NCC(c1ccc(cc1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_111622138	396.572	AGMQIUXYNHGCPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112249
CCNC(=NCC(c1cccc(c1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_111659488	396.572	XPFATYUYXCCBIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112250
CCNC(=NCC(c1ccccc1)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111948209	396.572	FRZQZOYHVMCYEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112251
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)CC)C	PC-id_111283049	396.572	MARPRUMIQYKCAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112252
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1ccc(cc1)CC)C	PC-id_111321696	396.572	CAUGRTLKXWFRPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112253
CCNC(=NCCCc1nnc2n1CCCCC2)NC(C(c1ccccc1)C)C	PC-id_112075374	396.572	WEYKSIZUROMPFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112254
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1cc(C)cc(c1)C	PC-id_111649164	396.572	CHHYGFJRLYOXRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112255
CCNC(=NCCCc1nnc2n1CCCCC2)NC(CCc1ccccc1)C	PC-id_111172595	396.572	GFFDSRGEBLAANZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112256
CN=C(NCC(c1ccccc1)(CC)CC)NCCc1nnc2n1CCCCC2	PC-id_111694306	396.572	HUKPWZIOMVLSIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112257
CN=C(NCCc1nnc2n1CCCCC2)NCCc1ccc(cc1)C(C)(C)C	PC-id_111892093	396.572	DPDZFAFZXHMTQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112258
CN=C(NCCc1nnc2n1CCCCC2)NCCCc1ccc(cc1)C(C)C	PC-id_111549454	396.572	BUYPTUIOZIINQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112259
s1c2CCCCCc2c(c1NC(=O)CSc1sc(SC)nn1)C#N	PC-id_45710652	396.574	JYZVCBLELRRSEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112260
s1c2CCCCCc2c(c1NC(=O)CSc1snc(SC)n1)C#N	PC-id_3542560	396.574	GZVIYHTWXUYKHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112261
O(CCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)C(=O)CCCCCCCCC	PC-id_85618713	396.605	UOWSWJUQWXYFIN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-112262
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCCCC)C(=O)OC	PC-id_19651067	396.61	RERZYKCTKVLSIH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112263
s1c2c(CCCCC2)c(c1NC(=S)NCC(CCCC)CC)C(=O)OC	PC-id_19651796	396.61	KATBWPLVMAJWQR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112264
s1c2c(CCCCC2)c(c1NC(=S)NC(CC(C)(C)C)(C)C)C(=O)OC	PC-id_19652278	396.61	IEEXSZBOGPEWFP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112265
s1c2c(CCCCC2)c(c1NC(=S)NC(CCCC(C)C)C)C(=O)OC	PC-id_19652451	396.61	GKJCWJUVWROWJO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112266
s1c2c(CCCCC2)c(c1NC(=S)N(CCCC)CCCC)C(=O)OC	PC-id_19653189	396.61	VAHCPRKOJZQCAR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112267
s1c2c(CCCCC2)c(c1NC(=S)N(CC(C)C)CC(C)C)C(=O)OC	PC-id_19653263	396.61	GJUPOQOEZFDXHS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112268
s1c2c(CCCCC2)c(c1NC(=S)N(C(CC)C)C(CC)C)C(=O)OC	PC-id_19653519	396.61	YPHCJMXXFOZQBP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112269
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCCC)C(=O)OCC	PC-id_19650905	396.61	CTDPBIKVVKYUBA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112270
s1c2c(CCCCC2)c(c1NC(=S)NC(CCCCC)C)C(=O)OCC	PC-id_19650993	396.61	REPYAGRFMCGJJI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112271
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCCC)C(=O)OC	PC-id_19650899	396.61	XJZXOZHAOIWZHG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112272
s1c2c(CCCCCC2)c(c1NC(=S)NC(CCCCC)C)C(=O)OC	PC-id_19650987	396.61	ASAVXCVIHCZVMV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112273
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCC)C(=O)OCC	PC-id_19650816	396.61	IOXKYZOZHUBTQW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112274
s1c2c(CCCCCC2)c(c1NC(=S)N(CCC)CCC)C(=O)OCC	PC-id_19653047	396.61	CCCBTCPJSGWZSP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112275
s1c2c(CCCCCC2)c(c1NC(=S)NC(C(C)(C)C)C)C(=O)OCC	PC-id_19676413	396.61	ZFSZPBISOYHZOL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112276
CCCCCCCCCCCCCCc1ccc2-c1c(OC)cc(cc2)C(C)C	PC-id_19815697,SCHEMBL9876439	396.648	MIKSIPZCSIVCRE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-112277
CCCCCCCCCCCCCCCCCc1ccc2-c1c(OC)cccc2	SCHEMBL9875539,PC-id_19815673	396.648	WXNNZRBPGBLJJK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-112278
Brc1sc(c(c1)S(=O)(=O)N1CCCc2c(C1)cco2)Cl	EMOLS-id_99299317	396.708	HOAYUMUDJODEON-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-112279
Clc1cc2CCOc2c(c1)S(=O)(=O)NC(=O)c1noc2c1CCCCC2	EMOLS-id_112072447	396.845	BFUFYMVRDQZZAA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112280
Clc1n(nc(c1C=C(c1n2CCCCCc2nn1)C#N)C)c1ccc(F)cc1	PC-id_84857105	396.849	GCRFPTXSYASQGH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112281
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)c1ccc(F)cc1	PC-id_8863083	396.849	GCRFPTXSYASQGH-SDNWHVSQSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112282
c1ccc(c(c1)/C=C
/c2c(C=NNC1=O)sc(n2)Nc1ccccc1Cl)O	PC-id_135829269	396.85	MRNBYYFIWXMWPH-XFXZXTDPSA-N	00000000100000110111000000000010000000000000000000000000	31-01-112283
c1ccc(c(c1)/C=C
/c2c(C=NNC1=O)sc(n2)Nc1ccc(cc1)Cl)O	PC-id_135829270	396.85	LAWATZZZXNECNH-ZROIWOOFSA-N	00000000100000110111000000000010000000000000000000000000	31-01-112284
c1ccc(c(c1)/C=C
/c2c(C=NNC1=O)sc(n2)Nc1cc(ccc1)Cl)O	PC-id_135829274	396.85	LAGMEVSHDTZZRS-ZSOIEALJSA-N	00000000100000110111000000000010000000000000000000000000	31-01-112285
Clc1ccc(Nc2sc3=CNNC(=O)C(=c3n2)/C=C/C(=O)C=CC=C2)cc1	PC-id_16742285	396.85	DKJKGFOCLOCADJ-PKNBQFBNSA-N	00000000100011110111000000000010000000000000000000000000	31-01-112286
Clc1cc(Nc2sc3=CNNC(=O)C(=c3n2)/C=C/C(=O)C=CC=C2)ccc1	PC-id_16742361	396.85	IJYUGLKHNBHQJC-DHZHZOJOSA-N	00000000100011110111000000000010000000000000000000000000	31-01-112287
Clc1c(Nc2sc3=CNNC(=O)C(=c3n2)/C=C/C(=O)C=CC=C2)cccc1	PC-id_16742284	396.85	MOWYEPIXXYWPDI-PKNBQFBNSA-N	00000000100011110111000000000010000000000000000000000000	31-01-112288
Clc1c(OCC(=O)NNC(=O)c2sc3CCCCCc3c2)ccc(F)c1	PC-id_46657058	396.864	YEFHMZYYEBADQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112289
Clc1ccc(cc1)COc1cccc(c1)NC(=O)C1CCn2c(CC1)nnc2	MCULE-7219742355,EMOLS-id_320001670	396.87	BGQXSJVZBJZFQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112290
CN1CCNc2c(C1=O)n(c(n2)COc1ccc(cc1)Cl)Cc1ccccc1	PC-id_134805630	396.87	FXLVWQAJKPFZQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112291
COc1ccc(cc1)Cn1c2c(cn1)C(=O)CCCN2Cc1ncc(cc1)Cl	SCHEMBL15130262,PC-id_89705464	396.87	ZNCRWGZHKIPJQZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-112292
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1)OCc1ccccc1Cl	EMOLS-id_320311315,MCULE-1764139120	396.87	HKWOZUUAYRQZQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112293
CCS(=O)(=O)c1cc(CNC(=O)C2CCn3c(CC2)nnc3)cc(c1)Cl	EMOLS-id_316689893	396.892	WKLMJYZRMFRGQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112294
Clc1ccc(cc1)S(=O)(=O)CCC(=O)NCc1nnc2CCCCCn12	MCULE-2398465675,ZINC22_72399263,EMOLS-id_35985554,SYN-22955555	396.892	QGXFXEBMDKPKHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112295
Clc1ccccc1COc1cccc(c1)CNCc1nnc2n1CCCCC2	MCULE-7901792562,EMOLS-id_50952620,PC-id_121846687	396.913	CLPGKXORCJFHDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112296
Clc1cccc(Oc2ccccc2)c1CNCCc1nnc2n1CCCCC2	PC-id_75397886,EMOLS-id_48309890,MCULE-5653324863,ZINC22_95455755	396.913	XAAULJKLSIRQKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112297
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccc(s1)Cl)O	PC-id_111702380	396.938	FKWPKORFYINPLC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-112298
Brc1c2C(CN(CCc2sc1Br)C(=O)OCC)C	SCHEMBL1181686,PC-id_59302545	397.126	NOKVWZFNKNBPES-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112299
CC1=NSC2=C1N(C(=O)C(CN2)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4)C	PC-id_155069316	397.132	HURXQQXGRSOLHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112300
COC(=O)C1(CC2=CC=CC=C2C1)CC(=O)NC3=CC4=C(S3)CCCCCC4	PC-id_164900196	397.171	HHHKFADUMUUUOA-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-112301
CC/C=C/C=CC=C(/C)N1C=C2CCN(CCC2=N1)CC3=CN=C(S3)NC=O	PC-id_154685631	397.194	JYEVBEASPPWHEM-WGKCRCHFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112302
Ic1ccc(C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_60747028	397.211	QACJSHZNZBREPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112303
O=C(c1ccc(c(c1)O)I)N1CCCc2c(C1)cnn2C	EMOLS-id_112009742	397.211	PBTMCNAKLFMXEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112304
O=C(c1noc2c1CCCCC2)Nc1ccc(c(n1)C)I	EMOLS-id_110220308	397.211	GZSSWFMBLCWWHL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-112305
Cc1ccc(s1)N(C(=O)C1=CC=c2c(=CC1)nc[nH]2)I	PC-id_142236439	397.234	RVQHGXSOKHUSHO-UHFFFAOYSA-N	00000000100100000111000000000010000000000000000000000000	31-01-112306
Clc1c2-c(c(c1P(=O)(c1ccccc1)c1ccccc1)Cl)ccccc2	PC-id_102085798	397.234	BCAPNVIYNUHWRD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-112307
Brc1cc(F)c(OCC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_30547164	397.242	OVJDJPGWBRCLKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112308
Brc1c(OCC(=O)NCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_51266286	397.242	QBSGUCFKSKALSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112309
CCOc1cc(Br)c(cc1NC(=O)C1CCn2c(CC1)nnc2)F	EMOLS-id_278168505	397.242	MJVRQCWFEBZBMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112310
COc1cc(F)c(cc1NC(=O)N1CCCc2c(C1)cnn2C)Br	EMOLS-id_101918192	397.242	VEZJXVUOOZVWBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112311
N#Cc1c(Br)cccc1S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028595	397.25	PJPCCCDFYDSALH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112312
N#Cc1cc(Br)cc(c1)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026782	397.25	GJWGJVKCRQEXCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112313
N#Cc1ccc(cc1Br)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102028556	397.25	XUMUIRNUQMMGCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112314
CNC(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl	SCHEMBL16100046,PC-id_86345928	397.256	XZYUIMAEPDIPTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112315
Brc1cc(C=C(c2n3CCCCCc3nn2)C#N)c(OCC#C)cc1	PC-id_84857137	397.268	DUWIMJYRRWUOID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112316
Brc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)c(OCC#C)cc1	PC-id_8863157	397.268	DUWIMJYRRWUOID-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112317
CCC1=C2C=CC(=CC=C2C(=C1N)CC)CC(=O)N(C)OCCCN3CCCC3	PC-id_154450150	397.273	ULKTWSQPDRLCKU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-112318
Ic1ccc(NC(=O)c2sc3CCCCCc3c2)cc1	PC-id_7927259	397.274	NFUUFEAZDBFENW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112319
Ic1cc(NC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_60628094	397.274	BFKVNEOEBTVRRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112320
Ic1c(NC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_7900640	397.274	HYRKWXSRSCYTOK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112321
Nc1sc2c(c1C(=O)c1cccc(I)c1)CCCCC2	CHEMBL338671,PC-id_10862217	397.274	RJWXHGCXXMHOCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112322
Clc1c(=O)n(ncc1Cl)CC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_32290662	397.279	YZCZLHNRBXTMES-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-112324
Brc1oc(C(=O)NNC(=O)c2sc3CCCCCCc3c2)cc1	PC-id_24409826	397.287	OEWOYHYZDWXAJO-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-112325
c1(NC(=O)c2ccc(Br)o2)sc2c(CCCCCC2)c1C(=O)N	PC-id_1027487,CoCoCo_897086,EMOLS-id_2196247,ChEMBL-DNDi_CHEMBL7232282,TIMTEC382543,ZINC22_694497,MCULE-7916189197,SPECS-id_AK-968/37272016	397.287	PMMGEMWKFSDMDJ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-112326
CCCC(C1=CC(C1C)C=C(N(C)C)F)C(=C)c1c(c2c([nH]1)CCCN=CC2)C	PC-id_163721998	397.289	KSJJTQGHSCWYRL-UHFFFAOYSA-N	00001100100000000110000000000010000000000000000000000000	31-01-112327
c1(NC(=O)c2c(Br)cnn2C)sc2c(CCCCC2)c1C(=O)N	CoCoCo_6579466,ZINC22_2778935,MCULE-5198375330,PC-id_17020628,EMOLS-id_4075460	397.29	HMCZRQADRZSVJZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112328
c1(NC(=O)c2nn(cc2Br)C)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_4075456,PC-id_1000913,CoCoCo_6927621,MCULE-8597106975,ZINC22_656361	397.29	TVHVJSZPHGMTEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112329
Clc1cc(CCCNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1Cl	PC-id_56063855	397.299	KCXBPPDQYVOQRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112330
Clc1cc(CN(C(=O)Cn2nc3n(CCCCC3)c2=O)CC)ccc1Cl	PC-id_55915513	397.299	CEKNMFXEAMBIAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112331
Clc1cc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)(C)C)ccc1Cl	PC-id_56226994	397.299	PUTHHRJUPPTKOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112332
Clc1c(OCCCC(=O)NCc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_51266215	397.299	CERLZSGHZBYMSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112333
Clc1c(OCCC(=O)NCCc2n3CCCCCc3nn2)cccc1Cl	PC-id_60544364	397.299	BPSQWTXXYIZBKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112334
Clc1c(OC(C(=O)NCCc2n3CCCCCc3nn2)C)cccc1Cl	PC-id_75690396	397.299	ZDIBJXYAVYYKJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112335
Clc1c(OC(C(=O)NCCc2n3CCCCCc3nn2)C)ccc(Cl)c1	PC-id_51307435	397.299	CNBPJWYTHZUQQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112336
Clc1c(O[C@H](C(=O)NCCc2n3CCCCCc3nn2)C)cccc1Cl	PC-id_52183988	397.299	ZDIBJXYAVYYKJE-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112337
Clc1c(O[C@@H](C(=O)NCCc2n3CCCCCc3nn2)C)cccc1Cl	PC-id_52183989	397.299	ZDIBJXYAVYYKJE-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112338
Ic1ccc(cc1)CC(c1cc2c(s1)CCCCC2)N	PC-id_115864398	397.317	ITKWCTQGLDVALQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112339
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_683807,MCULE-4729186253,ZINC22_995753,PC-id_1220627,ChEMBL-DNDi_CHEMBL5697249,EMOLS-id_2095735,SPECS-id_AK-968/11992722	397.319	UZXZETIYOAKMDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112340
c1(NC(=O)c2c(cccc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)N	PC-id_4184617,TIMTEC226582,ZINC22_6328943,EMOLS-id_5389852,CoCoCo_6844800,MCULE-1705401323	397.319	IUPBSSBFAKFMMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112341
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCCCCC2)c1C(=O)N	MCULE-5512439003,CoCoCo_5817174,ZINC22_2740546,SPECS-id_AK-968/12117311,EMOLS-id_4075500,PC-id_4189856	397.319	HKAMHBWGZUQRAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112342
C[C@H]([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	SCHEMBL18352830	397.396	RINFQRYUWUARFR-YMTOWFKASA-N	00000000100000110111000000000010000000000000000000000000	31-01-112363
c1(NC(=O)c2cc(Cl)ccc2Cl)sc2c(CCCCC2)c1C(=O)NC	ChEMBL-DNDi_CHEMBLF1831-0049,MCULE-7795104867,CoCoCo_5058680,ZINC22_4326512,PC-id_7190292,EMOLS-id_5523545	397.319	OCDSNKUPDXJNQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112343
c1(NC(=O)c2cc(Cl)ccc2Cl)sc2c(CCCCCC2)c1C(=O)N	ZINC22_2754448,ChEMBL-DNDi_CHEMBL7252587,PC-id_2166603,EMOLS-id_2198414,MCULE-6234796127,TIMTEC259643,CoCoCo_900800	397.319	KFHTXVOTJCTWAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112344
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)cc(Cl)c1	PC-id_7475062	397.319	JBUYZONOZVEXSC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112345
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)ccc(Cl)c1	PC-id_7475063	397.319	BSYXFSFZHMBSMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112346
Clc1c(NC(=O)CNC(=O)c2sc3CCCCCc3c2)cc(Cl)cc1	PC-id_9152337	397.319	IFFWMRZDMOYPAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112347
O=S(=O)(N[C@@H]1CCc2nnnn2CC1)c1c(F)cc(C(F)(F)F)cc1F	ZINC22_1875310978	397.324	IHOSWGTYSPAGHG-MRVPVSSYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112348
O=S(=O)(N[C@H]1CCc2nnnn2CC1)c1c(F)cc(C(F)(F)F)cc1F	ZINC22_1875310979	397.324	IHOSWGTYSPAGHG-QMMMGPOBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112349
C=CC(=O)N1CCC(C(=O)N2CCCc3sc(Br)cc3C2)CC1	ZINC22_1875369734	397.33	DHMBEUDFURJVON-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-112350
Brc1c([nH]nc1C(=O)Nc1sc2CCCCCCc2n1)C(C)C	PC-id_56565874	397.333	ZGTHFNWSOQOHIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112351
Cn1ncc2c1CC(C)(C)CN(C(=O)NCc1ccc(Br)s1)C2	MCULE-6245313661,ZINC22_663171641,PC-id_136552857,EMOLS-id_316875755	397.333	WRTKNJZOHVPRAS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-112352
Cc1cc(cc(c1)C(F)(F)F)COC(=O)N1CCCn2c(cc(n2)C(=O)O)C1	PC-id_86345555,SCHEMBL16094214	397.348	OGDPWSOSEHHPMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112353
O=c1sc2c([nH]1)C(C=CC=C2)[P+](Oc1ccccc1)(Oc1ccccc1)[O-]	PC-id_122228251	397.384	LRMOYUQMHFQUBW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-112354
O=c1sc2c([nH]1)C=CC(C=C2)[P+](Oc1ccccc1)(Oc1ccccc1)[O-]	PC-id_122228252	397.384	GOOOFSSUPJLSSM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-112355
O=c1sc2c([nH]1)C=CC=CC2[P+](Oc1ccccc1)(Oc1ccccc1)[O-]	PC-id_122228253	397.384	YAGMHZSWIKADSO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-112356
COc1cc(CCC(=O)N2CCCc3occc3C2)ccc1OCC(F)(F)F	EMOLS-id_316193289,ZINC22_367408212,MCULE-1662223568	397.388	PPPLSGBKYRQDDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112357
COCc1cc2n(n1)CCCN(C2)C(=O)OCc1cc(C)cc(c1)C(F)(F)F	PC-id_144720736	397.391	HGENIVJQDKPRRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112358
O=C(C1CCn2c(CC1)nnc2)NC(COc1ccc(cn1)C(F)(F)F)(C)C	EMOLS-id_319359320	397.395	SMHTVGINWZHRRT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-112359
O=C(NC(c1ccc(cc1)OC(F)(F)F)C)NCc1nnc2n1CCCCC2	PC-id_86931463	397.395	JJCJKKLTXKKJRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112360
C[C@H](C1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	PC-id_140762668	397.396	RINFQRYUWUARFR-UCWRFOARSA-N	00000000100000110111000000000010000000000000000000000000	31-01-112361
C[C@@H](C1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	PC-id_140762687	397.396	RINFQRYUWUARFR-CUVJYRNJSA-N	00000000100000110111000000000010000000000000000000000000	31-01-112362
C[C@@H]([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	SCHEMBL18353459	397.396	RINFQRYUWUARFR-LKFCYVNXSA-N	00000000100000110111000000000010000000000000000000000000	31-01-112364
Fc1cc(c2ncc(C(N3CCn4c(OCC3)nc([N+](=O)[O-])c4)C)cc2)ccc1	SCHEMBL14965852,PC-id_71571326	397.403	QMZLGPIJSOTHSS-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-112365
CN1c2cn(C)nc2CC[C@H](NC(=O)c2ncn(Cc3ccccc3F)n2)C1=O	BindingDB-id_1066480,SCHEMBL20262364,PC-id_134607482	397.406	NCMMZTPLTOBLHY-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112366
CN1c2cnn(C)c2CC[C@H](NC(=O)c2ncn(Cc3ccccc3F)n2)C1=O	SCHEMBL20262313,PC-id_134607434,BindingDB-id_1066482	397.406	MVVZGATYAKKGQD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112367
CN1C(=O)C(CCCn2c1ccn2)NC(=O)c1nnc([nH]1)Cc1ccc(cc1)F	SCHEMBL18366224	397.406	ZXTRYNFHEXZKKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112368
CN1C(=O)[C@H](CCCn2c1ccn2)NC(=O)c1nnc([nH]1)Cc1ccc(cc1)F	SCHEMBL18377647	397.406	ZXTRYNFHEXZKKP-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112369
Fc1ccc(cc1)Cc1[nH]nc(n1)C(=O)NC1CCn2c(N(C1=O)C)cc(n2)C	PC-id_140764651	397.406	YTCNZGNYPJBONR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112370
Fc1ccc(cc1)Cc1nnc([nH]1)C(=O)N[C@@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366627	397.406	YTCNZGNYPJBONR-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112371
Fc1ccc(cc1)Cc1nnc([nH]1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366797	397.406	YTCNZGNYPJBONR-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112372
Fc1ccc(cc1)Cn1cnc(n1)C(=O)NC1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366519	397.406	OHRXBLHQYGHGPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112373
Fc1ccc(cc1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366423	397.406	OHRXBLHQYGHGPP-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112374
Fc1cccc(c1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366898	397.406	VMVSQWSXPRDRGV-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112375
O=C1C(CCn2c(N1C)c(C)nc2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL19641522	397.406	GVODHHFUOWZCFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112376
O=C1C(CCn2c(N1C)cnc2C)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL19641431	397.406	YOQQIEYLGHUQJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112377
O=C1C(CCn2c(N1C)nc(c2)C)NC(=O)c1ncn(n1)Cc1ccccc1F	PC-id_140764712	397.406	FHPQKKQSUMKQRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112378
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18366873	397.406	IJBSYFSLQWGLHX-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112379
O=C1[C@@H](CCn2c(N1C)c(C)nc2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367081	397.406	GVODHHFUOWZCFP-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112380
O=C1[C@@H](CCn2c(N1C)cnc2C)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367070	397.406	YOQQIEYLGHUQJX-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112381
O=C1[C@@H](CCn2c(N1C)nc(c2)C)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367261	397.406	FHPQKKQSUMKQRW-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112382
s1c2CCCCCc2c(c1NC(=O)Cn1cc([N+](=O)[O-])cc(c1=O)C#N)C#N	PC-id_38980369	397.408	CLYHDKNTFSYAPQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-112383
c1(NC(=O)c2cccc(c2)C(F)(F)F)sc2c(CCCCC2)c1C(=O)OC	PC-id_1038052,CoCoCo_787725,ChEMBL-DNDi_CHEMBL2884-3722,EMOLS-id_2397365,MCULE-4406442787,ZINC22_708834,SPECS-id_AG-205/13359002	397.411	FGSMWBCSZNHWOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112384
C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc(F)c(F)c1F	PC-id_7649981,CoCoCo_2861394,ZINC22_5362074	397.411	BYWZDCYUHWUUJO-JTQLQIEISA-N	00000000100000110100000000000010000000000000000000000000	31-01-112385
C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc(F)c(F)c1F	PC-id_7649984,ZINC22_5362077,CoCoCo_2861393	397.411	BYWZDCYUHWUUJO-SNVBAGLBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112386
O=C(C(OC(=O)c1cc2c(s1)CCCCC2)C)Nc1ccc(c(c1F)F)F	MCULE-1423225554,EMOLS-id_13796384,PC-id_16509436	397.411	BYWZDCYUHWUUJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112387
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(ccc1)C(F)(F)F	PC-id_16509452	397.411	NOFCATQLFRRNHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112388
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(F)(F)F	PC-id_7352127	397.411	KPPNOCBNTUKHCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112389
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(cccc1)C(F)(F)F	PC-id_7650093	397.411	WXIQLQYHCIFPDS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112390
c1(cc2c(CCCCC2)s1)C(=O)NNC(=O)Nc1ccccc1C(F)(F)F	MCULE-7013676167,PC-id_17383732,CoCoCo_6837749,EMOLS-id_4075620	397.415	RWDJTNRHTYEFBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112391
c1(NC(=O)CCC(=O)Nc2ccc(c(F)c2F)F)sc2c(CCCCC2)n1	EMOLS-id_335019953,MCULE-7447727262	397.415	JWPONKDDPDVSPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112392
O=C(Nc1nc2c(s1)CCCCC2)CNC(=O)c1ccc(cc1)C(F)(F)F	PC-id_112808239	397.415	KRRRVQSJRSLPCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112393
O=C(N1CCCc2c(C1)cnn2C)NC(C(F)(F)F)CS(=O)(=O)N(C)C	EMOLS-id_101857009	397.416	JNAKKKFQDBSUOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112394
C1CN(CCc2c1nc(o2)C(=O)NCc1ccccc1)Cc1c(cc(cc1)F)F	PC-id_134809285	397.418	IUTWXHYSFOACTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112395
C1CN(CCc2c1nc(o2)C(=O)NCc1ccccc1)Cc1c(cccc1F)F	PC-id_134810612	397.418	NHVWVVCVRQDIMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112396
C[C@@H](C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C)O	PC-id_140762634	397.421	QIBILKWZGVGZFG-NKUHCKNESA-N	00000000100000110101000000000010000000000000000000000000	31-01-112397
C[C@@H]([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C)O	SCHEMBL18353546	397.421	QIBILKWZGVGZFG-GXFFZTMASA-N	00000000100000110101000000000010000000000000000000000000	31-01-112398
CCOC(=O)c1c2C(=O)CCCC(=O)c2c(n1Cc1ccccc1)C(=O)OCC	PC-id_102178237	397.421	VWSSZAANNOSUFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112399
Fc1cccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)c1	ChEMBL-DNDi_CHEMBL30798716,CoCoCo_1292501,CoCoCo_1292500,EMOLS-id_20514643,ZINC22_20779721,MCULE-1996547501,PC-id_29151587	397.421	GFNAXDQSRBVZOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112400
Fc1ccc(CN2CC(CNC(=O)c3cccnc3)Cn3ccnc3C2)cc1F	EMOLS-id_313786006	397.421	BZGNOELYMCBBAV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-112401
O=C(NC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2nccn2C1)c1cccnc1	ZINC22_2055781418	397.421	BZGNOELYMCBBAV-INIZCTEOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-112402
O=C(NC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2nccn2C1)c1cccnc1	ZINC22_2055781419	397.421	BZGNOELYMCBBAV-MRXNPFEDSA-N	00000000100000111101000000000010000000000000000000000000	31-01-112403
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCCc3occc3C2)ccc1[N+](=O)[O-]	ZINC22_377507413	397.424	LBGSJJHTXINCJD-GOSISDBHSA-N	00000010100000110100000000000010000000000000000000000000	31-01-112404
Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCCc3occc3C2)ccc1[N+](=O)[O-]	ZINC22_377507414	397.424	LBGSJJHTXINCJD-SFHVURJKSA-N	00000010100000110100000000000010000000000000000000000000	31-01-112405
CC(C)C1=N[C@H](C(=O)N(c2c1[nH]c(c2)C(=O)O)Cc1ccccc1)CCC(=O)O	PC-id_136140077	397.424	PYCMGAJOCXHNLH-AWEZNQCLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-112406
O=C(c1ccc2c(c1)OCO2)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_111824416	397.424	MBBWPIFIUGAKES-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-112407
O=C(C1CCCN1C(=O)c1ccc(c(c1)C)[N+](=O)[O-])N1CCCc2c(C1)cco2	EMOLS-id_316195081,MCULE-2693395029	397.424	LBGSJJHTXINCJD-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-112408
O=c1n(c2-c(c1C(=O)NC(=O)Nc1ccccc1)ccccc2)Cc1ccccc1	PC-id_23251609	397.426	HPSFLCRKVLXBBX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-112409
C1CC1Cn1c(=O)n2CCC(CCc2n1)NC(=O)Cn1c2ccccc2oc1=O	PC-id_91922680	397.428	NTGAWSJEIGGVHM-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-112410
c1(C(=O)NCCc2ccccc2)cn2c(CCN(CC2)C(=O)[C@@H]2COC(=O)N2)n1	ZINC22_1875245745,MCULE-8154110688,EMOLS-id_331127337	397.428	OPOSRCDZHNTNRB-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112411
Cc1onc(C(=O)NC2CCc3nn(C)c(=O)n3CC2)c1COc1ccccc1	EMOLS-id_50586105,MCULE-7448923663,PC-id_91910834	397.428	YYBQWJCWRFOGSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112412
COc1noc(c1)CCC(=O)N1CCc2nn(c(=O)n2CC1)Cc1ccccc1	PC-id_91922519	397.428	HTZJLDVPQQQJCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112413
n12CCN(CCc1nnc2CNC(=O)C1CC1)C(=O)Cc1ccc2c(OCO2)c1	EMOLS-id_20407424,ZINC22_12055164,CoCoCo_1141621,MCULE-5981538559,PC-id_42381613	397.428	WKWBEUKJFVUHCZ-UHFFFAOYSA-N	00100010100000100101000000001010000000000000000000000000	31-01-112414
O=C(N1CCCn2nc(cc2C1)C(=O)OC)c1cc(N2CCNC2=O)c(cc1)C	PC-id_50953390	397.428	NMEHFFHTCLZMJS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112415
CCc1c2-c(ccc(cc2)CC(=O)N(C(=O)Nc2n[nH]nn2)OC)c(c1N)CC	PC-id_88267569,SCHEMBL8229888	397.431	DHYBMSKDCZXQMV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-112416
N=C(NC(=N)C(=O)N[C@H]1COc2c(NC1=O)cnn2C(C)C)Cc1ccccc1	SCHEMBL19659838	397.431	OJSUZAZEVFSBOC-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112417
OCc1cc2n(n1)CC[C@@H](C(=O)N2C)NC(=O)C(=N)/N=CNCc1ccccc1	SCHEMBL19659233	397.431	VEDCQSGYAYUUPP-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112418
OCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(c1ncn(n1)Cc1ccccc1)O	SCHEMBL19658885	397.431	KDDXFKMGUUORLX-BUSXIPJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112419
O=C(NC1CCc2nn(CC3CC3)c(=O)n2CC1)c1ccc(Cn2cncn2)o1	MCULE-2256632562,PC-id_91922682,EMOLS-id_50590502	397.431	WDUFUHUMGFBDMD-UHFFFAOYSA-N	00100000101000000101000000000010000000000000000000000000	31-01-112420
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(c1c(nn(c1)CC)C)C	PC-id_19523701	397.438	JPOOCQPSPDNWDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112421
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(c1c(n(nc1)CC)C)C	PC-id_19523754	397.438	QUHBUMCMWTTZIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112422
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCCn1nc(cc1C)C	PC-id_19523733	397.438	ISRNRNGABQCRCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112423
CC(C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)C	SCHEMBL18353526	397.439	CGXYNQYAQDZGSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112424
CC(C(C1COc2c(SN1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O)C	SCHEMBL21337308,PC-id_139471309	397.439	JEEMCBIMZJSMCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112425
O=C(c1n(C)cc2c1CCC(NS2=O)C(O)(C)C)Nc1ccc(c(c1)F)F	SCHEMBL21337103,PC-id_139471107	397.439	WNFVYJAFIREDQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112426
Fc1ccc(CNc2[n+]3c(n(n2)CC(=O)c2ccc(F)cc2)CCCCC3)cc1	PC-id_4659513	397.441	ZXPCQDHMGFEDMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112427
Fc1ccc(NCc2n[n+](CC(=O)c3ccc(F)cc3)c3CCCCCn23)cc1	ZINC22_27525207,PC-id_34882972,CoCoCo_5851442,MCULE-6999146153,EMOLS-id_31295306,GD-id_ZINC27525207	397.441	YJMJZSASPHXZIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112428
CC1(C)CN(CC(c2[nH]c(cc12)C#N)C(=O)OC(C)C)C(=O)c1cccc(c1)F	PC-id_45484781,SCHEMBL4135048,CHEMBL584048,BindingDB_PC-id_45484781	397.443	IHVBPNGXWKLQTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112429
CC(C)OC(=O)C1CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2cc(C#N)[nH]c12	BindingDB_PC-id_45484782,PC-id_45484782,SCHEMBL4138529,CHEMBL565729	397.443	QPDQBBDQBXYDFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112430
c12CN(CCCn1nc(C#N)c2)CC1(CCCN(Cc2ccc(cc2)F)C1=O)O	EMOLS-id_36577056,MCULE-4807084784,PC-id_56743623	397.446	LSMFXRDAQRSNTE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112431
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3cccc(F)c3)CCn12	EMOLS-id_68879601,PC-id_118755291,MCULE-6760372252,ZINC22_299765584	397.446	APJXRAKXQWVKTC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-112432
c1(cn2c(CCN(CC2)C(=O)Nc2ccccc2F)n1)C(=O)N1C[C@@H]2C[C@@H]1CC2	ZINC22_1875247432,MCULE-7311908535,EMOLS-id_331097131	397.446	LSWCYERKBOMPCL-GJZGRUSLSA-N	00000010100000110101000000000110000000000000000000000000	31-01-112433
COC(=O)c1c(NC(=O)COC(=O)[C@H](NC(=O)N)C)sc2c1CCCCC2	CoCoCo_4956561	397.446	FHKOIKVBHXGXMF-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112434
COC(=O)c1c(NC(=O)COC(=O)[C@@H](NC(=O)N)C)sc2c1CCCCC2	PC-id_7838314,CoCoCo_4956560	397.446	FHKOIKVBHXGXMF-VIFPVBQESA-N	00000000100000000100000000000010000000000000000000000000	31-01-112435
Fc1ccc(c2oc(nc2)CCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55535990	397.446	VZTWGIRDWLXQQW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112436
N#Cc1cc2n(n1)CCCN(C[C@@]1(O)CCCN(Cc3ccc(F)cc3)C1=O)C2	PC-id_95201564,ZINC22_67688698	397.446	LSMFXRDAQRSNTE-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112437
N#Cc1cc2n(n1)CCCN(C[C@]1(O)CCCN(Cc3ccc(F)cc3)C1=O)C2	PC-id_95201565,ZINC22_67688699	397.446	LSMFXRDAQRSNTE-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112438
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C(NC(=O)N)C)C(=O)OC	PC-id_4556644	397.446	FHKOIKVBHXGXMF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112439
N1(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)C(=O)c2c(cccc2)C1=O	PC-id_4125245,MCULE-7040071306,EMOLS-id_4948405,CoCoCo_5014646,ZINC22_4176880	397.448	OHIFMXICTYMHNS-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-112440
O=C1NCCCn2cc(cc12)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1	EMOLS-id_33086504,PC-id_53182842,MCULE-8868971294	397.448	HMGTZWKAAHZUTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112441
O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1nnc(c2ccccc2)o1	EMOLS-id_43703929,CoCoCo_2861349,ZINC22_4767815,PC-id_7351992,MCULE-6282893426	397.448	FQDJNJBCOKICAE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112442
s1c2CCCCCc2cc1C(=O)NNC(=O)CN1C(=O)c2c(C1=O)cccc2	PC-id_9301212	397.448	IVIGQVXZBMFDJQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-112443
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1cc2=NC(=O)N=c2cc1)C	PC-id_78644172	397.448	GEWJNVIOWKMFLM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112444
s1c2c(CCCCC2)c(c1NC(=O)c1cc2c(C(=O)N(C2=O)C)cc1)C(=O)N	PC-id_55334194	397.448	SSZQVDBQIDTPFZ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-112445
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C#N)C(=O)NC(=O)OC	PC-id_7521874	397.448	AFAPEFFPVUVDAB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112446
c12C(=O)NCC(O)Cn1nc(C(=O)NCCc1scc(c3ccccc3)n1)c2	PC-id_119069484,EMOLS-id_82729093,MCULE-4618535351	397.451	VYKURBUAOYSDFG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112447
c1(C(=O)Nc2sc3C(=O)NCCCc3n2)n(C)nc(c2ccccc2OC)c1	ZINC22_96124392,EMOLS-id_48619036,MCULE-1321258448,PC-id_72719998	397.451	BNDWCASAHCCJQG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112448
CN1c2nc(C)sc2CC[C@H](NC(=O)c2nnc(Cc3ccccc3)o2)C1=O	BindingDB-id_704420,BindingDB_PC-id_130299044,SCHEMBL19207589	397.451	AHIPPQOGJQRZRO-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112449
Cn1c(cc(n1)c1cc(ccc1)OC)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625479	397.451	TYEUABGVVLTNOO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112450
O=C1C(CCc2c(N1C)nc(s2)C)NC(=O)c1nnc(o1)Cc1ccccc1	SCHEMBL19207592	397.451	AHIPPQOGJQRZRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112451
O=C1[C@@H](CCc2c(N1C)nc(s2)C)NC(=O)c1nnc(o1)Cc1ccccc1	SCHEMBL19224704	397.451	AHIPPQOGJQRZRO-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112452
O=C(NCCc1nc(c2ccccc2)cs1)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426573330	397.451	VYKURBUAOYSDFG-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112453
O=C(NCCc1nc(c2ccccc2)cs1)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426573331	397.451	VYKURBUAOYSDFG-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112454
s1c2c(CCCCC2)c(c1NC(=O)c1cc(n2nnnc2)ccc1)C(=O)OC	PC-id_52598435	397.451	OGOPJBICCWBBRB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112455
s1c2CCCCCc2c(c1NC(=O)Cn1c(=O)n(CC)cc(c1=O)C#N)C#N	PC-id_39020377	397.451	PJMHLUXYSMDVRT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-112456
s1c2CCCCCCc2nc1NC(=O)c1cc([N+](=O)[O-])c(n2ccnc2)cc1	PC-id_60571978	397.451	RVYGMCXRZSGAKE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112457
s1c2CCCCCCc2nc1NC(=O)c1nn(c2ccc([N+](=O)[O-])cc2)cc1	PC-id_56148290	397.451	RHLVBYRGHFGHOR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112458
CCN(C)S(=O)(=O)N1CCc2nc(cn2CC1)C(=O)NCc1nonc1C	EMOLS-id_331119137,MCULE-2052957165,ZINC22_1875247137	397.453	RINGNPUEQZZIMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112459
Cc1nsc2c1N(C(=O)[C@H](CN2)NC(=O)c1n[nH]c(n1)Cc1ccccc1)C	SCHEMBL19037357,PC-id_137213120	397.454	HURXQQXGRSOLHE-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112460
Cn1c(nnc1SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O)c1ccco1	PC-id_135702722	397.454	FWNSJIKPXABBFT-SEYXRHQNSA-N	00000000101000000101100000000010000000000000000000000000	31-01-112461
s1c2CCCCCc2cc1C(=O)NCc1ccc(cc1)COCC(F)(F)F	PC-id_18272003	397.454	LIORIJBRVUVSLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112462
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1n(c(nn1)c1occc1)C	PC-id_84865502	397.454	XPLOCEJKAPKDMD-UHFFFAOYSA-N	00000011101000000111100000000010000000000000000000000000	31-01-112463
S(CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N)c1n(c(nn1)c1occc1)C	PC-id_8889136	397.454	XPLOCEJKAPKDMD-FOWTUZBSSA-N	00000011101000000111100000000010000000000000000000000000	31-01-112464
N#Cc1c(NC(=O)CCN2CCC(=CC2)C(F)(F)F)sc2c1CCCCC2	EMOLS-id_98104035	397.458	JJMHTXWYOZQHDO-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-112465
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(SC(F)F)nccc1	PC-id_24554084	397.463	HZBYUUWIOKNGBV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-112466
CCOC(=O)C1(CCCCn2c1ccc2C(=O)c1ccc(cc1)C)C(=O)OCC	PC-id_102048221	397.464	ZVVRJQZXQLKTOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112467
COC(=O)[C@H]1Cc2sccc2[C@H](CN1S(=O)(=O)c1ccc(cc1)OC)O	PC-id_139966465	397.466	CDHFVEIVBDPRFP-CABCVRRESA-N	00000000100000110100000000000010000000000000000000000000	31-01-112468
O1C(N(C(C1)COCC1n2c(noc2=O)CCCC1)C(=O)OC(C)(C)C)(C)C	PC-id_22901460	397.466	RRCBQMZFLVGKKY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-112469
OC[C@@H]1c2ccsc2CCN([C@@H]1C(=O)O)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966500	397.466	KCNTZUBZROVCPJ-ZBFHGGJFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112470
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CO)C(=O)O)c1ccc(OC)cc1	PC-id_53987477	397.466	KCNTZUBZROVCPJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112471
S(=O)(=O)(N1CC(c2c(scc2)CC1C(=O)O)CO)c1ccc(OC)cc1	PC-id_76633230	397.466	GBIIZZOMJSDIGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112472
S(=O)(=O)(N1C(Cc2sccc2C(O)C1)C(=O)OC)c1ccc(OC)cc1	PC-id_76632880	397.466	CDHFVEIVBDPRFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112473
S(=O)(=O)(N1C[C@H](c2c(scc2)C[C@H]1C(=O)O)CO)c1ccc(OC)cc1	PC-id_57132093	397.466	GBIIZZOMJSDIGF-NHYWBVRUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112474
S(=O)(=O)(N1[C@@H](Cc2sccc2[C@H](O)C1)C(=O)OC)c1ccc(OC)cc1	PC-id_57129802	397.466	CDHFVEIVBDPRFP-LSDHHAIUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112475
S(=O)(=O)(N1[C@H]([C@H](c2c(scc2)CC1)CO)C(=O)O)c1ccc(OC)cc1	PC-id_57057358	397.466	KCNTZUBZROVCPJ-GOEBONIOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112476
COc1cccc(c1)CC(=O)N1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100116048	397.467	JHTREMJIYJFGCP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112477
COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc2n(c1)CCCNC2=O	ZINC22_1875321290	397.467	CAJADUOOANZAAE-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112478
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc2n(c1)CCCNC2=O	ZINC22_1875321291	397.467	CAJADUOOANZAAE-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112479
COc1ccc(cc1NC(=O)C1CCCN1C(=O)c1noc2c1CCCCC2)C	EMOLS-id_101052835	397.467	XGFUNGJHLFBULG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112480
COc1ccccc1NC(=O)C1CCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100930239	397.467	JXKQGALVTLEMPC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112481
COC(=O)N(C)C[C@H]1OCc2cn(CCCC(=O)N(C[C@H]1C)[C@@H](C)CO)nn2	PC-id_44489808,CHEBI:96676,BindingDB_PC-id_44489808,BindingDB-id_134972	397.469	UUDITCQIVHGHRN-IJEWVQPXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112482
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC	CHEBI:113285,PC-id_44489807	397.469	UUDITCQIVHGHRN-IIAWOOMASA-N	00000000100000000101000000000010000000000000000000000000	31-01-112483
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC	CHEBI:113485,PC-id_44490866	397.469	UUDITCQIVHGHRN-YCPHGPKFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112484
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC	CHEBI:96503,PC-id_44489267	397.469	UUDITCQIVHGHRN-LZWOXQAQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112485
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC	PC-id_44488154	397.469	UUDITCQIVHGHRN-SQWLQELKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112486
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC	PC-id_44491451	397.469	UUDITCQIVHGHRN-FMKPAKJESA-N	00000000100000000101000000000010000000000000000000000000	31-01-112487
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC	PC-id_44492052	397.469	UUDITCQIVHGHRN-OFQRWUPVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112488
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC	PC-id_44492053,CHEBI:96448	397.469	UUDITCQIVHGHRN-DZKIICNBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112489
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC	CHEBI:96615,CHEMBL1874222,PC-id_44492578	397.469	BOUWOFDIRQBKSW-YCPHGPKFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112490
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC	PC-id_44493068	397.469	BOUWOFDIRQBKSW-IIAWOOMASA-N	00000000100000000101000000000010000000000000000000000000	31-01-112491
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC	PC-id_44493577	397.469	BOUWOFDIRQBKSW-DZKIICNBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112492
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC	PC-id_44494074,CHEBI:96433	397.469	BOUWOFDIRQBKSW-FMKPAKJESA-N	00000000100000000101000000000010000000000000000000000000	31-01-112493
Cc1ccc(C)c(C(=O)N2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)c1	ZINC22_12209319	397.471	SWAPDUFFHCQUSX-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112512
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC	PC-id_44494075	397.469	BOUWOFDIRQBKSW-SQWLQELKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112494
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC	PC-id_44494935	397.469	BOUWOFDIRQBKSW-IJEWVQPXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112495
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC	PC-id_44495435	397.469	BOUWOFDIRQBKSW-OFQRWUPVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112496
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC	PC-id_44495959,CHEBI:113267	397.469	BOUWOFDIRQBKSW-LZWOXQAQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112497
s1c2c(CCCCC2)c(c1NC(=O)CSc1[n+](noc1[O-])C)C(=O)OC	PC-id_53292227	397.469	SKWCGPPPVRRCLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112498
s1c(nc(/C=C/C(=O)NCc2n3CCCCCc3nn2)c1)c1ccc(F)cc1	PC-id_24676715	397.469	HVEUBWKIQFAURG-MDZDMXLPSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112499
s1c(nc(C=CC(=O)NCc2n3CCCCCc3nn2)c1)c1ccc(F)cc1	PC-id_74311143	397.469	HVEUBWKIQFAURG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112500
c12C(=O)NCC(O)Cn1nc(C(=O)NCC1(c3ccccc3)CCN(CC1)C)c2	PC-id_119066357,MCULE-7633804437,EMOLS-id_82720691	397.471	SIFCIPZAAYAMSP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112501
c1(C(=O)N2CC[C@H]([C@H](NC(=O)c3ccc(cc3)C)C2)O)nnc2CCCCCn12	PC-id_146045692,EMOLS-id_324122693,MCULE-7069002276,ZINC22_1857672109	397.471	JZKZKXMPZMANJN-IAGOWNOFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112502
c1(NC(=O)c2cc3c(ccc(c3)N(=O)=O)s2)sc2c(CCCCC2)c1C#N	MCULE-9706777428,PC-id_3462183,ZINC22_4079245,CoCoCo_4975506,EMOLS-id_30102380	397.471	PWJPHJKOJQJVJD-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-112503
Cc1ccccc1CC(=O)N1CCc2nnc(CNC(=O)C3CCOC3)n2CC1	MCULE-2453657847,EMOLS-id_20402112,PC-id_45170895	397.471	WWLZAIMCEXUUKW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112504
Cc1ccccc1CC(=O)N1CCc2nnc(CNC(=O)[C@@H]3CCOC3)n2CC1	CoCoCo_1134611,ZINC22_11970906	397.471	WWLZAIMCEXUUKW-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112505
Cc1ccccc1CC(=O)N1CCc2nnc(CNC(=O)[C@H]3CCOC3)n2CC1	ZINC22_11970918,CoCoCo_1134612	397.471	WWLZAIMCEXUUKW-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112506
Cc1ccc(C)c(c1)C(=O)N1CCc2nnc(CNC(=O)C3CCOC3)n2CC1	EMOLS-id_232726371,PC-id_45930039,MCULE-6238169322	397.471	SWAPDUFFHCQUSX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112507
Cc1cc(C)cc(c1)C(=O)N1CCc2nnc(CNC(=O)C3CCOC3)n2CC1	MCULE-1300885356,PC-id_45198045,EMOLS-id_20520131	397.471	ZFTFAMHVCJYCNE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112508
Cc1cc(C)cc(C(=O)N2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)c1	CoCoCo_1300410,ZINC22_12034419	397.471	ZFTFAMHVCJYCNE-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112509
Cc1cc(C)cc(C(=O)N2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)c1	ZINC22_12034417,CoCoCo_1300409	397.471	ZFTFAMHVCJYCNE-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112510
Cc1ccc(C)c(C(=O)N2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)c1	ZINC22_12209312	397.471	SWAPDUFFHCQUSX-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112511
Cc1cccc(C(=O)N2CCc3nnc(CNC(=O)C4CCOC4)n3CC2)c1C	MCULE-5374455077,EMOLS-id_20469035,PC-id_45186447	397.471	GHYPJDZLQGHOOH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112513
Cc1cccc(C(=O)N2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)c1C	ZINC22_11812863,CoCoCo_1227074	397.471	GHYPJDZLQGHOOH-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112514
Cc1cccc(C(=O)N2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)c1C	ZINC22_11812865,CoCoCo_1227075	397.471	GHYPJDZLQGHOOH-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112515
CC[C@@]1(C)OCc2c1cc(nc2)C(=O)N[C@H]1CCn2c(N(C1=O)C)c(c(n2)C)C	SCHEMBL18366522	397.471	FCVRYJQPYSZFHM-HRAATJIYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112516
CCC(C)NC(=O)CNC(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049877,EMOLS-id_25388532,MCULE-4354184827	397.471	JOAGIJXQLZRTOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112517
CC[C@H](NC(=O)CNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332562	397.471	JOAGIJXQLZRTOJ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112518
CC[C@@H](NC(=O)CNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332563	397.471	JOAGIJXQLZRTOJ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112519
CCCNC(=O)C(C)NC(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25387682,MCULE-5134655347,PC-id_46049848	397.471	UPAWCNKCJWBVAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112520
CCCNC(=O)[C@H](NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332394	397.471	UPAWCNKCJWBVAZ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112521
CCCNC(=O)[C@@H](NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332395	397.471	UPAWCNKCJWBVAZ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112522
CC(C)NC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25388138,PC-id_46049855,MCULE-5399964061	397.471	ORHAWBIONBGAMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112523
CCCNC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049860,MCULE-7848324876,EMOLS-id_25387400	397.471	PUBQKUZZXKSVCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112524
CCCNC(=O)CNC(=O)c1cc2C(=O)N(Cc3ccccc3C)CCCn2n1	EMOLS-id_25388982,PC-id_46050052,MCULE-6557587993	397.471	VHLDRAWSMVEPTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112525
CC(CNC(=O)CNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	MCULE-9558696887,PC-id_46049872,EMOLS-id_25387696	397.471	CIRWYKNUTYVCGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112526
CN1CCC(CNC(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)(c2ccccc2)CC1	ZINC22_426511761	397.471	SIFCIPZAAYAMSP-INIZCTEOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112527
CN1CCC(CNC(=O)c2cc3n(n2)C[C@H](O)CNC3=O)(c2ccccc2)CC1	ZINC22_426511765	397.471	SIFCIPZAAYAMSP-MRXNPFEDSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112528
COc1ccc(cc1)CN1CCCN(CC1=O)C(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316651607	397.471	MECMBXISNXWMFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112529
COc1cccc(c1)N1CC(CC1=O)NC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_316878315,MCULE-7087019572	397.471	MNRSGNUFZLXZHL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112530
COc1cccc(N2C[C@@H](NC(=O)N3Cc4c[nH]nc4CC(C)(C)C3)CC2=O)c1	ZINC22_888101706	397.471	MNRSGNUFZLXZHL-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112531
COc1cccc(N2C[C@H](NC(=O)N3Cc4c[nH]nc4CC(C)(C)C3)CC2=O)c1	ZINC22_888101707	397.471	MNRSGNUFZLXZHL-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112532
COCCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1cc2c(o1)cccc2)C	CoCoCo_1169065,CoCoCo_1169064	397.471	TWCXIVUXAPFOEO-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112533
COCCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1cc2c(o1)cccc2)C	CoCoCo_1169067,CoCoCo_1169066	397.471	TWCXIVUXAPFOEO-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112534
COCCn1c(=O)n2CCN(CCc2n1)C(=O)CCCc1c[nH]c2ccccc12	MCULE-5001964955,EMOLS-id_50589973,PC-id_91922420	397.471	HEYUPDFIASTYHA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-112535
COC(=O)c1cccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c1	EMOLS-id_30259153,MCULE-4016380442,PC-id_45909536,ZINC22_40145177	397.471	MEVCFOYEVDLUGD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112536
COC(=O)c1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	PC-id_17559738,MCULE-8128406402,EMOLS-id_12022765,ZINC22_23994939,CoCoCo_4526281	397.471	SIDMEPKNRMNPDK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112537
COC(=O)N1CCCCC1C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	MCULE-4016292294,EMOLS-id_337815175	397.471	ARGUOYGYFJOJBU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112538
COC(=O)N1CCCC[C@H]1C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356168373	397.471	ARGUOYGYFJOJBU-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112539
COC(=O)N1CCCC[C@@H]1C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	ZINC22_2356168374	397.471	ARGUOYGYFJOJBU-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112540
n12CCN(CCc1nnc2CCNC(=O)C1CCC1)Cc1ccc2c(OCO2)c1	MCULE-7636671539,PC-id_29087210,CoCoCo_1267767,EMOLS-id_20497611,ZINC22_20600271,CoCoCo_1267768	397.471	MLJAUOLMFZDKCM-UHFFFAOYSA-N	00001010100000100101000000001010000000000000000000000000	31-01-112541
O1CC(CC1)C(=O)NCc1n2CCN(CCc2nn1)C(=O)c1c(cc(cc1)C)C	MCULE-2346580986,EMOLS-id_20394758,PC-id_45169210	397.471	PQOBXWFWNAZREU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112542
o1c(CN2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)cc2c1cccc2	PC-id_45176786	397.471	TWCXIVUXAPFOEO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112543
O1CCN(CC1)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_50798052	397.471	NCNSNFWYZARMOW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112544
O=C1N(CC(C1)C(=O)NCc1n2CCCCCc2nn1)c1c(OCC)cccc1	PC-id_51266282	397.471	GODNGGSVYXNOCF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112545
O=C1N(CC(C1)C(=O)NCc1n2CCCCCc2nn1)Cc1ccc(OC)cc1	PC-id_60218650	397.471	CCXNWGHXDSETHH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112546
O=C1N(CC(C1)C(=O)NCCc1n2CCCCCc2nn1)c1ccc(OC)cc1	PC-id_55566462	397.471	YBBFLQKRBNVVKL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112547
O=C1N(CC(C1)C(=O)NCCc1n2CCCCCc2nn1)c1cc(OC)ccc1	PC-id_55556854	397.471	SNACWCKFIGUEEX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112548
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCC)Cc1ccc(cc1)C	PC-id_42855089	397.471	FCGSWQUWUUCNPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112549
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)NCC)Cc1c(cccc1)C	PC-id_42855123	397.471	RFHQFVUIHDVQIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112550
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)NCC)Cc1ccc(cc1)C	PC-id_46049962	397.471	RFOQUBDUNHLHFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112551
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)NCC)Cc1cc(ccc1)C	PC-id_46050000	397.471	LLSTTZVFXSEPDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112552
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCC)Cc1cc(ccc1)C	PC-id_46050035	397.471	BRNCMCPFJCHDGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112553
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCC)C)Cc1ccc(cc1)C	PC-id_42855081	397.471	WVHNRYXSTAAXSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112554
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCCC)Cc1cc(ccc1)C	PC-id_42855109	397.471	NZHPYRLIUXQKDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112555
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCC)C)Cc1c(cccc1)C	PC-id_42855128	397.471	NUIXGLMSTVWDLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112556
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NC(C)C)Cc1c(cccc1)C	PC-id_42855134	397.471	KTOXDDNYFPGHLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112557
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCC)C)Cc1cc(ccc1)C	PC-id_46050012	397.471	LNLZGZABDIVUMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112558
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)N(CC)C)Cc1ccc(cc1)C	PC-id_46159916	397.471	XDHBADXNCGYWNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112559
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)N(CC)C)C)Cc1ccccc1	PC-id_42854956	397.471	OLHLWDYRXWDKSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112560
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)N(CC)CC)Cc1ccccc1	PC-id_46159898	397.471	MQABRICYALMBQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112561
O=C([C@H]1COCC1)NCc1nnc2n1CCN(CC2)C(=O)c1ccc(cc1C)C	CoCoCo_1124809	397.471	PQOBXWFWNAZREU-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112562
O=C([C@@H]1COCC1)NCc1nnc2n1CCN(CC2)C(=O)c1ccc(cc1C)C	CoCoCo_1124810	397.471	PQOBXWFWNAZREU-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112563
O=C(N1CCN(CC1)c1ccccn1)CCNC(=O)c1noc2c1CCCCC2	EMOLS-id_100097241	397.471	SAHKKMRIXOASLQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-112564
O=C(NC1CC1)COc1ccc(cc1)CCNC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_316616554	397.471	AWPVCBRUBFGJJA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-112565
O=C(N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)[C@H]1CCc2nnnn2CC1	ZINC22_845831167	397.471	DREIGHNRPXNFNQ-WMZOPIPTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112566
O=C(OC1CCCC1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2nnnn2CC1	ZINC22_845831165	397.471	DREIGHNRPXNFNQ-AEFFLSMTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112567
N#CC(=Cc1cccc(c1)NC(=O)c1ccc(cc1)C)c1nnc2n1CCCCC2	MCULE-4657785486,PC-id_4357321,EMOLS-id_317333286	397.472	GDESYKBWCNHBKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112568
O=C(Nc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1)c1ccc(cc1)C	PC-id_6078683	397.472	GDESYKBWCNHBKV-XSFVSMFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112569
c1(C(=O)NCc2ccon2)cn2c(CCN(CCCn3c(C)cc(C)n3)CC2)n1	EMOLS-id_336519605,ZINC22_1940197466,MCULE-1853918127	397.474	SDCUTGFPRBWMDU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112570
Cc1ccc(cc1)CC(=O)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102159097	397.474	BHVZWMVXOFNTHE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112571
Cc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183288	397.474	BHMJGIFVAJMENO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112572
Cc1cccc(c1)NC(=O)N1CCCC(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102164506	397.474	BSLRUINPCUKRHF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112573
CC1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102012390	397.474	ONZMMBQIYUFZQB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112574
Cc1c(c(=O)[nH]c2c1c(nn2C)C)CCC(=O)NCc1nnc2n1CCCCC2	PC-id_137218084,EMOLS-id_98510334	397.474	ZTSXQTHFXYBHAK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112575
CCc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183342	397.474	TZMUWWCKWHSJBW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112576
CC(C)(C)C1CCc2[nH]nc(C(=O)N3CCc4nn(CC#N)c(=O)n4CC3)c2C1	EMOLS-id_50590071,MCULE-5520664030,PC-id_91910692	397.474	PVPVEJUCALJLQW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-112577
O=C1N(CCCN2CCN(CC2)c2ncccn2)CC/C(=N/O)/c2c1n(cc2)C	PC-id_20083215,SCHEMBL6995998	397.474	IORLXZQAIBQIEM-QJOMJCCJSA-N	00000000100010100101100000000010000000000000000000000000	31-01-112578
O=C1N(CCCN2CCN(CC2)c2ncccn2)CCC(N=O)c2c1n(cc2)C	PC-id_54438737	397.474	WMORPPQMEIGBRN-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-112579
O=C1N(CCCN2CCN(CC2)c2ncccn2)CCC(=NO)c2c1n(cc2)C	PC-id_73658805	397.474	IORLXZQAIBQIEM-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-112580
O=C(Nc1ccc(c(c1)C(=O)N1CCCCC1)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102001854	397.474	ZIFXESRVRLZDSE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112581
O=C(Nc1ccc(cc1)C(=O)N1CCCCC1C)NC1CCn2c(CC1)nnn2	EMOLS-id_102010434	397.474	PKEKLQHGBSBUPO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112582
O=C(Nc1ccc(cc1)C(=O)N1CCCCCC1)NC1CCn2c(CC1)nnn2	EMOLS-id_102010416	397.474	XOWOBHHZYPDZOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112583
CC(C)c1ccc2-c(c(cc2CCNS(=O)(=O)c2ccccc2)C(=O)O)cc1	CHEMBL443795,SCHEMBL9628430,PC-id_10318638	397.487	ZAJRRDSSESAQIO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-112584
CC(C)c1cccc2-c(c(cc2CCNS(=O)(=O)c2ccccc2)C(=O)O)c1	CHEMBL349493,SCHEMBL9627570,PC-id_10475931	397.487	NDPPDKWPLNFRBK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-112585
O=C([C@@H](NS(=O)(=O)c1ccccc1F)C)Nc1nc2c(s1)CCCCC2	PC-id_24611799,CoCoCo_4564217	397.487	FUWBMNKFTKMAFR-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-112586
O=C([C@H](NS(=O)(=O)c1ccccc1F)C)Nc1nc2c(s1)CCCCC2	PC-id_40124631,CoCoCo_4564218	397.487	FUWBMNKFTKMAFR-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112587
O=C(C(NS(=O)(=O)c1ccccc1F)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_22357355,PC-id_42892715	397.487	FUWBMNKFTKMAFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112588
O=C(O)c1cc(CCCCCNS(=O)(=O)c2ccccc2)c2-c1ccccc2	SCHEMBL9627068,CHEMBL353476,PC-id_10046360	397.487	FXIUOEQFCWZJHM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-112589
O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1cc2c(s1)CCCCC2	MCULE-1973013797,PC-id_4846525,EMOLS-id_3410935,ZINC22_6561086,CoCoCo_2861307	397.487	USHDNVOYPJMLPH-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-112590
s1c2CCCCCc2nc1NC(=O)CCNS(=O)(=O)c1ccc(F)cc1	PC-id_24611811	397.487	ONBNGUFPVXSDAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112591
s1c2CCCCCCc2cc1C(=O)OCC(=O)c1cc2c(N(C(=O)C2)C)cc1	PC-id_8943281	397.487	BRYZOFRVFJSDLK-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-112592
S(=O)(=O)(NCCCCc1c2-c(c(c1)C(=O)OC)ccccc2)c1ccccc1	PC-id_10092228	397.487	AWANUDCQKOOIJH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-112593
CCOC(=O)C1CCN(CC1)S(=O)(=O)c1cc2C(=O)N(CC)CCCn2c1	PC-id_53182959,MCULE-8422411345,EMOLS-id_33087452	397.489	YIHKNSVHLGLOEY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112594
Fc1ccc(C2C(C2)C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_51317251	397.489	GPAXQNZWHXVRMZ-UHFFFAOYSA-N	00100000100010110101100000000010000000000000000000000000	31-01-112595
Fc1cccc(CC(=O)NCc2nnc3CCN(CC4CCC=CC4)CCn23)c1	MCULE-5121326519,EMOLS-id_232763935,PC-id_45227940	397.489	VSXVCOKZKOIJRT-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-112596
Fc1ccc(C(=O)NCCc2n3CCN(CC4CCC=CC4)CCc3nn2)cc1	PC-id_45165730	397.489	WTHHUTIYDLNHIT-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-112597
Fc1ccc(C(=O)NCCc2n3CCN(C[C@@H]4CCC=CC4)CCc3nn2)cc1	PC-id_42325202	397.489	WTHHUTIYDLNHIT-KRWDZBQOSA-N	00000000100011110101000000000010000000000000000000000000	31-01-112598
Fc1ccc(C(=O)NCCc2n3CCN(C[C@H]4CCC=CC4)CCc3nn2)cc1	PC-id_42325213	397.489	WTHHUTIYDLNHIT-QGZVFWFLSA-N	00000000100011110101000000000010000000000000000000000000	31-01-112599
O=C(c1noc2c1CCCCC2)N1CCCC(C1)S(=O)(=O)N1CCOCC1	EMOLS-id_100136080	397.489	VLAYFDGUGBPICC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112600
O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(C[C@@H]1CC=CCC1)CC2	CoCoCo_1490328,CoCoCo_1490330,ZINC22_12218006	397.489	VSXVCOKZKOIJRT-QGZVFWFLSA-N	00000000100011110101000000000010000000000000000000000000	31-01-112601
O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(C[C@H]1CC=CCC1)CC2	CoCoCo_1490329,CoCoCo_1490331,ZINC22_12218005	397.489	VSXVCOKZKOIJRT-KRWDZBQOSA-N	00000000100011110101000000000010000000000000000000000000	31-01-112602
c1(C#N)c2CCCCCc2sc1N=Cc1ccc(c(OCC)c1)OCC(=O)N	PC-id_3633266,MCULE-8226281202	397.491	ACAXVTXDFVQTDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112603
C1CN(CCc2c1nc(o2)C(=O)NCCOc1ccccc1)Cc1cccs1	PC-id_134807462	397.491	QUCOHNRLABDDJW-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-112604
C1CN(CCc2c1nc(o2)C(=O)NCCOc1ccccc1)Cc1cscc1	PC-id_134807989	397.491	AXJGNWGQQKGLIJ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-112605
c1(NC(=O)CON=C(C)c2ccc(cc2)OC)sc2c(CCCCC2)c1C#N	PC-id_4371845,MCULE-7898131002	397.491	XCGNSCVQZBPAQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112606
C[C@@]1(c2cccc(NC(=O)c3cc4c(s3)CCCCCC4)c2)NC(=O)NC1=O	CoCoCo_4906807,ZINC22_40111237,PC-id_51949467	397.491	LOBGSYSVFXDGHS-NRFANRHFSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112607
C[C@]1(c2cccc(NC(=O)c3cc4c(s3)CCCCCC4)c2)NC(=O)NC1=O	ZINC22_40111239,PC-id_51949468,CoCoCo_4906808	397.491	LOBGSYSVFXDGHS-OAQYLSRUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112608
Cc1noc(C)c1COc1ccccc1C(=O)Nc1nc2c(s1)CCCCC2	MCULE-4596414553,ZINC22_12781681,PC-id_24685621,CoCoCo_4546159,EMOLS-id_44038028	397.491	UKXOSOSZLVYGIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112609
Cc1noc(C)c1COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1	EMOLS-id_44038016,MCULE-4244379420,CoCoCo_4546116,PC-id_30217069,ZINC22_22325987	397.491	FMYYALHFIFIQBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112610
Cc1noc(COc2ccc(NC(=O)c3cc4c(s3)CCCCCC4)cc2)n1	PC-id_99808017,MCULE-8435986146,EMOLS-id_50321562,ZINC22_170626744	397.491	ZUZYQIVGKFSDLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112611
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)CCCCC3)C1=O	CoCoCo_4089989,ZINC22_9365776,PC-id_41037287	397.491	ADQZAYAWBUJOTC-NRFANRHFSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112612
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)CCCCC3)C1=O	CoCoCo_4089990,PC-id_41037288,ZINC22_9365777	397.491	ADQZAYAWBUJOTC-OAQYLSRUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112613
CCC1(NC(=O)N(C1=O)NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	MCULE-8211624782,EMOLS-id_11886057,PC-id_17547983	397.491	ADQZAYAWBUJOTC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112614
CCC(C)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_334603891,MCULE-9648068286	397.491	YJRSRANIWMATTP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112615
CC(C)CN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_334606193,MCULE-4289388877	397.491	FBUNNQSTJBYKHK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112616
CC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)Nc1nc2CCCCCc2s1	MCULE-8246907580,PC-id_112807861,EMOLS-id_334604403	397.491	ZBYGYMFCIBASGS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112617
CC(C)(C)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1nc2CCCCCc2s1	MCULE-9226028787,EMOLS-id_334605426	397.491	PZALJZHUFHPIFP-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112618
CCOc1cc(ccc1OCC(=O)N)/C=Nc1sc2c(c1C#N)CCCCC2	CoCoCo_6801440	397.491	ACAXVTXDFVQTDY-MSXFZWOLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112619
CCOc1cc(/C=N/c2sc3c(c2C#N)CCCCC3)ccc1OCC(=O)N	PC-id_9628828,ZINC22_102229286,EMOLS-id_46452269,TIMTEC27279,CoCoCo_6801439	397.491	ACAXVTXDFVQTDY-WYMPLXKRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112620
CC(=O)NNC(=O)c1c(NC(=O)C=Cc2ccccc2)sc2c1CCCCC2	PC-id_92046525	397.491	JZJSRNIUFKLSGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112621
CN1CC(=O)N(c2cccc(NC(=O)c3cc4c(s3)CCCCCC4)c2)C1=O	ZINC22_32935207,EMOLS-id_27438476,PC-id_40173640,MCULE-1155409122,CoCoCo_4914739	397.491	VBOYXACKNLKYPF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112622
CN(C)c1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1	EMOLS-id_3102971,CoCoCo_2923501,PC-id_4042260,MCULE-1644557115,ZINC22_4506106	397.491	LKNKEXIICWDTOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112623
COc1ccc(cc1)/C(=NOCC(=O)Nc1sc2c(c1C#N)CCCCC2)/C	PC-id_6382738,CoCoCo_1863494	397.491	XCGNSCVQZBPAQY-OYKKKHCWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112624
COc1ccc(cc1)/C(=N/OCC(=O)Nc1sc2c(c1C#N)CCCCC2)/C	TIMTEC541864,ZINC22_13757676,PC-id_6082758,CoCoCo_1863493,STOCK4S-29292,EMOLS-id_26336946	397.491	XCGNSCVQZBPAQY-ZVHZXABRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112625
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)C23CC(C2)C3)c1	ZINC22_1565554643,EMOLS-id_313790526	397.491	WQHQAUCUHPPEJL-UHFFFAOYSA-N	00001000100000110101001000000010000000000000000000000000	31-01-112626
O=C1CC(C(=O)N1)Cc1ccc(cc1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_99597528	397.491	DOAJPZMPUXWNKC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112627
O=C1NC(C(=O)N1c1cccc(c1)NC(=O)c1cc2c(s1)CCCCC2)(C)C	EMOLS-id_100914549	397.491	OBZPUGUIXXRIAH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112628
O=C1NC(=O)C(N1)(C)c1cccc(c1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_29611225,MCULE-3604316025,PC-id_45895016	397.491	LOBGSYSVFXDGHS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112629
O=C(c1ccc(cc1)CN1C(=O)CCC1=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98550674	397.491	XTZOZBFCFSJQNF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112630
O=C(C1=NOC(C1)c1ccccc1)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_36642640,MCULE-8836409231,PC-id_53536157	397.491	DRZQSKPIDKGSSV-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-112631
O=C(C1=NO[C@@H](C1)c1ccccc1)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_95351346	397.491	DRZQSKPIDKGSSV-KRWDZBQOSA-N	00000011100000110101100000000010000000000000000000000000	31-01-112632
O=C(C1=NO[C@H](C1)c1ccccc1)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_95351347	397.491	DRZQSKPIDKGSSV-QGZVFWFLSA-N	00000011100000110101100000000010000000000000000000000000	31-01-112633
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc2CCN(c2cc1)C(=O)C	PC-id_39435801	397.491	NZDYMMPLVDOAOJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-112634
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1	PC-id_34035387	397.491	XPGSHPFRXCEFDX-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-112635
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1	PC-id_31845641	397.491	GPDATUKDUBNQCX-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-112636
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(N2CCCC2=O)ccc1	PC-id_9163653	397.491	OCZVTKMGFZLLJE-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-112637
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(N2CCCC2=O)cccc1	PC-id_9163658	397.491	OSOLMPVUWCEZCF-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-112638
s1c2CCCCCc2cc1C(=O)NNC(=O)C(=Cc1ccccc1)NC(=O)C	PC-id_84942060	397.491	IBCBFMNJPKAHPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112639
s1c2CCCCCc2cc1C(=O)NNC(=O)/C(=C/c1ccccc1)/NC(=O)C	PC-id_9163625	397.491	IBCBFMNJPKAHPK-ATVHPVEESA-N	00000000100000110100000000000010000000000000000000000000	31-01-112640
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)C=Cc1ccccc1	PC-id_84974422	397.491	CMBFOJUHDUFESQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112641
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)/C=C/c1ccccc1	PC-id_9301048	397.491	CMBFOJUHDUFESQ-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112642
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)N	PC-id_60388334	397.491	RMRVXHBENCTFLT-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-112643
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(NC(=O)C)cc1)C(=O)N	PC-id_55529024	397.491	XYDOAOPYADNRKN-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112644
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(NC(=O)C)cc1)C(=O)N	PC-id_76243386	397.491	XYDOAOPYADNRKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112645
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1c(N)c(ccc1)C)C)C#N	PC-id_8299207	397.491	VMDLWBURDBZNAR-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112646
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1c(N)c(ccc1)C)C)C#N	PC-id_8299208	397.491	VMDLWBURDBZNAR-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112647
s1c2CCCCCc2c(c1NC(=O)CN(Cc1cc2OCOc2cc1)C)C#N	PC-id_28228308	397.491	JZKGKHMXLKURTA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112648
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(N(C)C)cc1)C#N	PC-id_41785188	397.491	UMKRNSAZCUWCIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112649
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(N)c(ccc1)C)C)C#N	PC-id_78658716	397.491	VMDLWBURDBZNAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112650
s1c2CCCCCc2c(c1NC(=O)CONC(=C)c1ccc(OC)cc1)C#N	PC-id_1994586	397.491	QSQXQRRVOFMOAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112651
s1c2CCCCCc2nc1NC(=O)c1cc(OCc2c(onc2C)C)ccc1	PC-id_30217070	397.491	GEADSRXWNOCEPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112652
s1c2CCCCCc2nc1NC(=O)CCc1oc(c2ccc(OC)cc2)cn1	PC-id_56196115	397.491	ROSPMGLANQRTCI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112653
s1c2CCCCCCc2cc1C(=O)Nc1cc(CN2C(=O)CNC2=O)ccc1	PC-id_55617281	397.491	ULFWPCIOESOBSU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112654
s1c2CCCCCCc2cc1C(=O)NN1C(=O)[C@@](NC1=O)(c1ccccc1)C	PC-id_25710387	397.491	WRUWFGJATCEFQL-NRFANRHFSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112655
s1c2CCCCCCc2cc1C(=O)NN1C(=O)[C@](NC1=O)(c1ccccc1)C	PC-id_25710388	397.491	WRUWFGJATCEFQL-OAQYLSRUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112656
s1c2CCCCCCc2cc1C(=O)NN1C(=O)C(NC1=O)(c1ccccc1)C	PC-id_60406515	397.491	WRUWFGJATCEFQL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112657
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1oc2c(n1)cccc2	PC-id_9428563	397.491	XBTBFQTUUKZLNC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112658
s1c2NC(=O)C(N(Cc3ccccc3)C(=O)c2cc1)C(=O)NC1CCCCC1	PC-id_46868606	397.491	XGRKHEIJTZTTTJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112659
S1(=O)(=O)N(CCN2CCOCC2)COCc2c1sc(S(=O)(=O)N)c2	PC-id_10340764	397.491	ZELNRNLETURMTA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112660
CCCCN(c1nn(c2=CC=C(CC=c12)Nc1nc(N)c(cc1C(=C)N)F)C)C	PC-id_134188057,SCHEMBL19790885	397.492	ZWIJEIXKECGWMD-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-112661
CCNC(=NCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1ccc(c2)F	PC-id_111888233	397.492	JRXOLELRNOUKHA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-112662
CCNC(=NCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1cc(F)cc2	PC-id_111972886	397.492	URYJPZCTFFHOOV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-112663
CN=C(NCCc1c[nH]c2c1cc(F)cc2)NCCc1nnc2n1CCCCC2	PC-id_111973152	397.492	PEEVRAVWJLBIMA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-112664
CN=C(NCCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1ccc(c2)F	PC-id_111888309	397.492	SZEUFTZPWKQEJE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-112665
c1(NC(=O)CCC(=O)NCc2[nH]c3c(cccc3)n2)sc2c(CCCCC2)n1	MCULE-3135158846,EMOLS-id_334960842	397.494	FZNJNIFFICSBBJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112666
Cc1nc(c2ccc(CNC(=O)Cn3nc4n(c3=O)CCCCC4)cc2)cs1	CoCoCo_4691645,MCULE-4806070943,PC-id_25627873,EMOLS-id_24102760,ZINC22_12949365	397.494	JDWVPZXGXKBACP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112667
CCn1nnc2c1ccc(c2)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_33331710,MCULE-6575256477,PC-id_25443619	397.494	JWZINWZHWBVXLN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112668
COc1cccc(CNC(=O)c2nc3CCN(Cc4cn[nH]c4)CCc3s2)c1	EMOLS-id_313792056,ZINC22_1203090485	397.494	MZAKJYRPQMODLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112669
COc1ccc(CNC(=O)c2nc3CCN(Cc4cn[nH]c4)CCc3s2)cc1	EMOLS-id_313791799,ZINC22_1203089302	397.494	AYCBFANCFUFMAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112670
n12CCC(CCc1nn(Cc1cccnc1)c2=O)CC(=O)NCc1cccs1	MCULE-5021023977,EMOLS-id_207877263	397.494	JAOIXCTZDCTBPG-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-112671
n12CCC(CCc1nn(Cc1ccncc1)c2=O)C(=O)NCCc1cccs1	EMOLS-id_207877086,MCULE-2839499906	397.494	HPSFZMXGKNHIQE-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-112672
[O-][N+](=O)c1ccccc1c1ccc(s1)CNCCc1nnc2n1CCCCC2	EMOLS-id_51669363,MCULE-8280388639,PC-id_119111959	397.494	DRUJYTHJSBYRCJ-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-112673
[O-][N+](=O)c1ccc(cc1)c1ccc(s1)CNCCc1nnc2n1CCCCC2	PC-id_119111958,MCULE-6431005819,EMOLS-id_51669369	397.494	NZLMKCRAJKCBFB-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-112674
O=S(=O)(NCc1nnc2CCN(Cc3ccccc3)CCn12)c1ccccc1	PC-id_29253787,CoCoCo_1337369,EMOLS-id_20545813,ZINC22_20992813,MCULE-8153460969,CoCoCo_1337370	397.494	AAQBMDWOHDFHJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112675
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c2c(n(nc2C)C)nc(c1)C	PC-id_24627449	397.494	KKSRLLCBNANBNX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112676
s1c2CCCCCCc2nc1NC(=O)C1=NCC(=O)N(N1)c1ccc(cc1)C	PC-id_56035228	397.494	DSDZOOXXKUUXBS-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-112677
s1c2CCCCCCc2nc1NC(=O)c1nnn(c1C)c1cc(OC)ccc1	PC-id_56021344	397.494	LVQXUGVNOHVQSH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112678
s1cc(nc1C)COc1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51266367	397.494	ZQLTUCYKLQPWFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112679
s1cc(nc1C)COc1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_51266394	397.494	YIFLPJRWPFMBPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112680
s1c(nc(C(=O)NCCc2n3CCCCCc3nn2)c1)c1ccc(OC)cc1	PC-id_51304520	397.494	SPDGMNSEDROGDV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112681
S1C(=NC(=O)C1CC(=O)Nc1ccc(cc1)C)Cc1n2CCCCCc2nn1	PC-id_78678591	397.494	YJYWBAUMPDVTDO-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-112682
S1C(=NC(=O)C1CC(=O)Nc1c(cccc1)C)Cc1n2CCCCCc2nn1	PC-id_78678627	397.494	IIXUHKJORODZMF-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-112683
S1C(=NC(=O)[C@H]1CC(=O)Nc1ccc(cc1)C)Cc1n2CCCCCc2nn1	PC-id_8375410	397.494	YJYWBAUMPDVTDO-OAHLLOKOSA-N	00000011100000110101000000000010000000000000000000000000	31-01-112684
S1C(=NC(=O)[C@@H]1CC(=O)Nc1ccc(cc1)C)Cc1n2CCCCCc2nn1	PC-id_8375417	397.494	YJYWBAUMPDVTDO-HNNXBMFYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-112685
S1C(=NC(=O)[C@H]1CC(=O)Nc1c(cccc1)C)Cc1n2CCCCCc2nn1	PC-id_8375509	397.494	IIXUHKJORODZMF-OAHLLOKOSA-N	00000011100000110101000000000010000000000000000000000000	31-01-112686
S1C(=NC(=O)[C@@H]1CC(=O)Nc1c(cccc1)C)Cc1n2CCCCCc2nn1	PC-id_8375518	397.494	IIXUHKJORODZMF-HNNXBMFYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-112687
Cc1cccc(Cc2nnc(NC(=O)NCc3nnc4CCCCCn34)s2)c1	EMOLS-id_24860795,MCULE-3430089105,ZINC22_23380437,CoCoCo_1439622,PC-id_31054646	397.497	AVOALOGDEPPGDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112688
n12CCCNCc1cc(CCC(=O)NCCc1csc(c3cnccn3)n1)n2	PC-id_70761977,EMOLS-id_43149334,ZINC22_72458832,MCULE-5234598040	397.497	ARQSNDYOEVDTCD-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-112689
O(C1C(CCCCCCCc2n(cc1c2)Cc1ccccc1)C(=O)OC)C(=O)C	PC-id_11795102	397.507	ZTYMNVHPGBNLOU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112690
CCc1cc(nn1CC(=O)N1CCc2c(CC1)ccs2)c1ccc(c(c1)C)F	SCHEMBL15001896,PC-id_89607823	397.509	KKBRMFWHPXARCI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-112691
s1c2c(CCCCC2)c(c1NC(=O)CN(C1CC1)Cc1ccc(F)cc1)C#N	PC-id_26649156	397.509	DZFMCOUSZJOQIR-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-112692
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1c(c(F)ccc1)C#N	PC-id_38620268	397.509	FXUXFEOSJXXIIJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112693
s1c2CCCCCCc2cc1C(=O)NC(c1n(ccn1)C)c1c(F)cccc1	PC-id_46533259	397.509	MRJZDYADAFHCPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112694
s1c2CCCCCCc2cc1C(=O)OCc1oc(S(=O)(=O)N(C)C)cc1	PC-id_55730825	397.509	JHVOQMJCNNZOQH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-112695
C1CCC(CC1)CN1CCc2c(CC1)oc(n2)C(=O)NCCOc1ccccc1	PC-id_134805915	397.511	FWXHAPXEYDKCGP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112696
CC[C@@H]([C@@H]1N[C@H](C(C)C)c2c(N(C1=O)Cc1ccccc1)cc([nH]2)C(=O)OC)C	PC-id_102395632	397.511	GTIRRHCIIXVSCR-BEVDRBHNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112697
CC(C)n1c2c(CCCN(CCC(C2=O)(C)C)C(=O)OCc2ccccc2)cn1	PC-id_134308848,SCHEMBL19928389	397.511	KXLUBHUPQJJWDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112698
CC(CNCCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	PC-id_21953086,SCHEMBL6093999	397.511	RUVNAFFEXUTXQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112699
CC(CNCCCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	SCHEMBL6094308,PC-id_21953106	397.511	IQIPPFGNAPOINY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112700
O=C1c2c([nH]cc2C(=O)Nc2cc(OCCCNC(C)(C)C)ccc2)CCCC1	PC-id_21953047,SCHEMBL6095481	397.511	IKLLJYMAKCQQLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112701
O=C(N1CCCCC1)CONC(=O)Cc1ccc2-c(c(c(c2CC)N)CC)cc1	PC-id_54455976	397.511	WYFIVMADCWQBFB-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-112702
ONC(C=C(NC(=O)C)c1c2-c(c(NC(=O)C)c1)c(ccc(c2)C(C)C)C)(C)C	PC-id_53932570	397.511	ISDDYYZRKMRRRB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-112703
CC1(C2CCC1(C(=O)C2)CS(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2)C	PC-id_90625680	397.512	KKHSFUWRBVYTAN-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-112704
Cc1cc(c(c(c1)S(=O)(=O)C)C)S(=O)(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101948484	397.512	FWRXGGCSQZUJBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112705
Cc1sc(c(c1)S(=O)(=O)NCCNC(=O)c1noc2c1CCCCC2)C	EMOLS-id_101050357	397.512	NBQUTRREVSNODK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-112706
s1c2c(CCCCC2)c(c1NC(=O)CSC1NCCC(=O)N1)C(=O)OC	PC-id_84937655	397.512	OYGHJUQCZUDLOO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112707
c12C(=O)N(CCCn1nc(C(=O)NCCN(CC)CC)c2)Cc1cccc(C)c1	EMOLS-id_32633130,MCULE-2675587355,PC-id_53034565	397.514	OHVJIHRCFVFHJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112708
c1(CN(c2ccccc2OC)C(=O)NC2CCCCC2)nnc2CCCCCn12	MCULE-9094528331,ZINC22_27526392,EMOLS-id_5701298,PC-id_34883516,CoCoCo_6271220	397.514	TYZONAMXKHNUPV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112709
c1(CN(c2ccc(cc2)OC)C(=O)NC2CCCCC2)nnc2CCCCCn12	PC-id_34883544,ZINC22_27526444,CoCoCo_6271265,MCULE-4244933203,EMOLS-id_5701288	397.514	VFTLQOUNRXIPLH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112710
c1(CN(c2cccc(OC)c2)C(=O)NC2CCCCC2)nnc2CCCCCn12	ZINC22_27526442,EMOLS-id_10085700,PC-id_34883543,CoCoCo_6271263,MCULE-5397856340	397.514	IYEKPBJWMCXNQZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112711
Cc1ccc(c2nc(CC(=O)Nc3sc4c(c3C#N)CCCCC4)cs2)o1	EMOLS-id_30021623,MCULE-2040779956,CoCoCo_4820235,PC-id_45877985,ZINC22_40073530	397.514	PZDWZTQJDACZCN-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-112712
Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCc1nnc2n1CCCCC2	ZINC22_48276144,PC-id_52287274	397.514	SLLJGAWCTRMNDU-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112713
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1nnc2n1CCCCC2	ZINC22_48276146,PC-id_52287275	397.514	SLLJGAWCTRMNDU-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112714
Cc1cccc(C)c1OCC(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	CoCoCo_4526284,MCULE-8875718640,EMOLS-id_13462344,ZINC22_23995504,PC-id_17440491	397.514	XSKYLUUIZKXKLE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112715
Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)c1	MCULE-3846136417,EMOLS-id_20509443,PC-id_45195655	397.514	CWBGFSXYAKVCMZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112716
Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c1	CoCoCo_1284785,ZINC22_20775816,CoCoCo_1284787	397.514	CWBGFSXYAKVCMZ-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112717
Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c1	CoCoCo_1284786,ZINC22_20775813,CoCoCo_1284788	397.514	CWBGFSXYAKVCMZ-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-112718
Cc1cccc(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)c1	PC-id_29257917,MCULE-3321956691,CoCoCo_1353950,EMOLS-id_20556947,ZINC22_20998506,CoCoCo_1353951,ChEMBL-DNDi_CHEMBL39967072	397.514	KWDXMBCHDSTQLS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112719
Cc1cc(C)cc(OCC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c1	EMOLS-id_13452952,ZINC22_23995510,CoCoCo_4526305,MCULE-7511677518,PC-id_17440482	397.514	NCUPAKMUPLHXMZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112720
Cc1cccc(OCC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c1C	MCULE-4991303286,PC-id_17441386,EMOLS-id_13451605,CoCoCo_4526283,ZINC22_23995683	397.514	LHPXZDZMKSTDDT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112721
CC1CN(CC(O1)C)Cc1ccccc1NC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101953626	397.514	LEBILCHMRGWNKS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112722
CC1OCCN(C1)Cc1cccc(c1)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_318359373	397.514	JMWJSAUSNMYSNT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112723
CC(CC(c1nnc2n1CCN(CC2)Cc1ccc2c(c1)CCO2)NC(=O)C)C	PC-id_45197783,ChEMBL-DNDi_CHEMBL31675556	397.514	VDOQVYIGYPTBNJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112724
CCCCCc1ccc(cc1)NC(=O)C(=O)NCCc1nnc2n1CCCCC2	GD-id_ZINC41223480	397.514	KQKVLYRPENEPMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112725
CC(CC(C(=O)NCc1nnc2n1CCCCC2)NC(=O)c1ccccc1C)C	EMOLS-id_30673578,MCULE-1110185211,PC-id_47014549	397.514	SLLJGAWCTRMNDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112726
CC(C[C@H](c1nnc2n1CCN(CC2)Cc1ccc2c(c1)CCO2)NC(=O)C)C	CoCoCo_1298639,CoCoCo_1298640	397.514	VDOQVYIGYPTBNJ-LJQANCHMSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112727
CC(C[C@@H](c1nnc2n1CCN(CC2)Cc1ccc2c(c1)CCO2)NC(=O)C)C	CoCoCo_1298642,CoCoCo_1298641	397.514	VDOQVYIGYPTBNJ-IBGZPJMESA-N	00000010100000100101000000001010000000000000000000000000	31-01-112728
CCCN(CC1CC1)C(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	EMOLS-id_207877206,MCULE-3417739787	397.514	SHKQBZLXIXAYEF-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-112729
CCC(N(C(=O)C1CCn2c(CC1)nnc2)CC(=O)Nc1cccc(c1C)C)C	EMOLS-id_257970976,MCULE-9405950352	397.514	FWPAWVWVMBTSSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112730
C=CCOc1ccccc1CN1CCc2n(CC1)c(nn2)CNC(=O)C(CC)C	ChEMBL-DNDi_CHEMBL89472162	397.514	JTALORNCULBAFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112731
C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_12689886,CoCoCo_4170676,PC-id_25440052	397.514	HMZVYCMARCVULF-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112732
C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_8746074,CoCoCo_4170675,PC-id_40809324	397.514	HMZVYCMARCVULF-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112733
CCN1CCCC1CN(C(=O)C1CCn2c(CC1)nnc2)Cc1ccc(cc1)O	EMOLS-id_319249740	397.514	VZKVIKYIIBLMEU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112734
CCN(CC)CCNC(=O)c1ccc(NC(=O)c2n[nH]c3CCCCCc23)cc1	MCULE-8239908984,EMOLS-id_335130023	397.514	NKANWBOTGBXVCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112735
CCOc1ccccc1CN1CCc2n(CC1)c(nn2)CCNC(=O)C1CCC1	ChEMBL-DNDi_CHEMBL22658883,CoCoCo_1231556,CoCoCo_1231555,PC-id_28954596	397.514	NZAYHLWSBHSZAV-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-112736
CCOc1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1	ZINC22_19836192,EMOLS-id_20429433,MCULE-5251681676,CoCoCo_1171841,ChEMBL-DNDi_CHEMBL15775977,PC-id_28389411,CoCoCo_1171840	397.514	ZZWFFYPCNVZRAX-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-112737
CN1CCC(CC1)(CNC(=O)Cn1nc2n(c1=O)CCCCC2)c1ccccc1	EMOLS-id_319072167	397.514	ZVFVLVMUGGEPQE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112738
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_30524827,PC-id_37630319,MCULE-7183578881,CoCoCo_4758024,EMOLS-id_30008289	397.514	NFKDRZHNESAMSF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112739
COc1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2CCNC(=O)C(C)C	CoCoCo_1116199,CoCoCo_1116197	397.514	TXERULZTMMNTJI-PLNGDYQASA-N	00000000100000110101000000000010000000000000000000000000	31-01-112740
COc1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2CNC(=O)[C@H](CC)C	CoCoCo_1302318,CoCoCo_1302322	397.514	BKXGCXXVOBDNFD-OSJSJHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112741
COc1ccc(cc1)/C=C/CN1CCn2c(CC1)nnc2CNC(=O)[C@@H](CC)C	CoCoCo_1302321,CoCoCo_1302325	397.514	BKXGCXXVOBDNFD-FUTAKVPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112742
COc1ccc(cc1)/C=C/CN1CCn2c(CC1)nnc2CNC(=O)[C@H](CC)C	CoCoCo_1302323,CoCoCo_1302319	397.514	BKXGCXXVOBDNFD-RTRPANQVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112743
COc1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2CNC(=O)[C@@H](CC)C	CoCoCo_1302324,CoCoCo_1302320	397.514	BKXGCXXVOBDNFD-KEGWNNHHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112744
COc1ccc(cc1C)CN1CCc2n(CC1)c(nn2)CCNC(=O)C1CCC1	CoCoCo_1203566,CoCoCo_1203565,PC-id_26278232	397.514	ARTNDIGTKMLSAE-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-112745
COc1ccc(/C=C/CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)cc1	CoCoCo_1116198,ChEMBL-DNDi_CHEMBL10086523,EMOLS-id_44851097,ZINC22_11838859,PC-id_42210386,CoCoCo_1116200	397.514	TXERULZTMMNTJI-SNAWJCMRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112746
COc1cccc([C@H](CNC(=O)N2CCCc3c(cnn3C)C2)N2CCCC2)c1	ZINC22_574172192	397.514	LQBHAQDMOHZPHH-NRFANRHFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112747
COc1cccc([C@@H](CNC(=O)N2CCCc3c(cnn3C)C2)N2CCCC2)c1	ZINC22_574172196	397.514	LQBHAQDMOHZPHH-OAQYLSRUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112748
COc1ccc(CNC(=O)C2CCN(Cc3cc4CNCCCn4n3)CC2)cc1	PC-id_56908763,ZINC22_72161459,EMOLS-id_43155938,MCULE-7318329739	397.514	QPKTVUSLEJAGSE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112749
COCCC(=O)NC(C)c1nnc2CCN(C/C(=C/c3ccccc3)/C)CCn12	PC-id_45199212,EMOLS-id_44852381,ChEMBL-DNDi_CHEMBL33028965	397.514	QUCISYCPTAOTBU-BMRADRMJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112750
COCCC(=O)N[C@@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccccc1)/C)C	CoCoCo_1307795,CoCoCo_1307797	397.514	QUCISYCPTAOTBU-RZPKCTKSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112751
COCCC(=O)N[C@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccccc1)/C)C	CoCoCo_1307801,CoCoCo_1307799	397.514	QUCISYCPTAOTBU-SOBQPUOHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112752
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(C/C(=C/c1ccccc1)/C)CC2	CoCoCo_1307800,CoCoCo_1307802,ZINC22_12039230	397.514	QUCISYCPTAOTBU-ODECOBMASA-N	00000000100000110101000000000010000000000000000000000000	31-01-112753
COCCC(=O)N[C@H](C)c1nnc2n1CCN(C/C(=C/c1ccccc1)/C)CC2	ZINC22_12039234,CoCoCo_1307798,CoCoCo_1307796	397.514	QUCISYCPTAOTBU-WBWKYDSYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112754
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)Cc1ccc(cc1)O	EMOLS-id_20546371,CoCoCo_1338160,CoCoCo_1338159,ZINC22_20993167,PC-id_29254066,MCULE-5195128163	397.514	GPGZYXYIQZFKHL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112755
n12CCN(CCc1nnc2CCNC(=O)C(C)C)CC=Cc1ccc(cc1)OC	PC-id_74781364,MCULE-5490639321	397.514	TXERULZTMMNTJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112756
n12CCN(CCc1nnc2C(C)NC(=O)CCOC)CC(=Cc1ccccc1)C	MCULE-7421694350,PC-id_75099992	397.514	QUCISYCPTAOTBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112757
N#Cc1c(NC(=O)C(Sc2nc3c(o2)cccc3)C)sc2c1CCCCC2	MCULE-2896034967,EMOLS-id_11969860,PC-id_17553658	397.514	HMZVYCMARCVULF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112758
O1c2c(cc(CN3CCn4c(nnc4CC3)C(NC(=O)CC)C(C)C)cc2)CC1	PC-id_56855642	397.514	ZTTDUMFHMNZRNZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112759
o1c(C2C(C2)C)ccc1CN(C1CC1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_75893016	397.514	BLYLLFAKGGSRIC-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-112760
O1C(CCC1)C(=O)NCCc1n2CCN(CCc2nn1)Cc1cc(c(cc1)C)C	PC-id_45189373	397.514	MVSRBFUBDCTYPS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112761
O1CCC(CC1)C(=O)NC(c1n2CCN(CCc2nn1)Cc1c(cccc1)C)C	PC-id_45165958	397.514	CPIPSJUKTUTQJC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112762
O1CCC(CC1)C(=O)NC(c1n2CCN(CCc2nn1)Cc1ccc(cc1)C)C	PC-id_45166425	397.514	BRZVAGSOTZFZMC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112763
O1CCC(CC1)C(=O)NC(c1n2CCN(CCc2nn1)Cc1cc(ccc1)C)C	PC-id_45166625	397.514	NDBXHNMQLVAHBE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112764
o1c([C@@H]2[C@@H](C2)C)ccc1CN(C1CC1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_52651106	397.514	BLYLLFAKGGSRIC-QAPCUYQASA-N	00100000101000000101100000000010000000000000000000000000	31-01-112765
o1c([C@@H]2[C@H](C2)C)ccc1CN(C1CC1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_52651107	397.514	BLYLLFAKGGSRIC-YJBOKZPZSA-N	00100000101000000101100000000010000000000000000000000000	31-01-112766
o1c([C@H]2[C@@H](C2)C)ccc1CN(C1CC1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_52651108	397.514	BLYLLFAKGGSRIC-CRAIPNDOSA-N	00100000101000000101100000000010000000000000000000000000	31-01-112767
o1c([C@H]2[C@H](C2)C)ccc1CN(C1CC1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_52651109	397.514	BLYLLFAKGGSRIC-MAUKXSAKSA-N	00100000101000000101100000000010000000000000000000000000	31-01-112768
O=C(c1ccccc1NC(=O)c1cscc1)Nc1nc2c(s1)CCCCC2	PC-id_112807884	397.514	XVCIQVFPURMIMZ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-112769
O=C([C@H]1CCCO1)NCCc1nnc2n1CCN(CC2)Cc1ccc(c(c1)C)C	CoCoCo_1245451,CoCoCo_1245453	397.514	MVSRBFUBDCTYPS-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112770
O=C([C@@H]1CCCO1)NCCc1nnc2n1CCN(CC2)Cc1ccc(c(c1)C)C	CoCoCo_1245454,CoCoCo_1245452	397.514	MVSRBFUBDCTYPS-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-112771
O(C(C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)C)c1ccc(cc1)C	PC-id_51317201	397.514	OKBFLENIGJWWTH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112772
O(C(C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)C)Cc1ccccc1	PC-id_46430623	397.514	AJCQFCKEVHMHPW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112773
O=C(N1C(CCC1)c1ccc(OCC)cc1)NCCc1n2CCCCCc2nn1	PC-id_75807297	397.514	GZKUJXMAEYDYAU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112774
O=C(N1CCCC1)COc1ccccc1CNCCc1nnc2n1CCCCC2	MCULE-9731451581,EMOLS-id_51669191,PC-id_119111942	397.514	BDUWIRBFPUOMLX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112775
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(OC(C)C)cc1	PC-id_46534078	397.514	WZYNSIFMEBPXTL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112776
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cc1cc(OC)c(cc1)C	PC-id_51317255	397.514	SPARKKHEXIKXHA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112777
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cc1c(OC)ccc(c1)C	PC-id_51304058	397.514	DUSSXWZASPUABU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112778
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CCc1ccc(OC)cc1	PC-id_51317200	397.514	LCVSSTRWGVZJAC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112779
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)COc1c(cc(cc1)C)C	PC-id_51304053	397.514	PXECPTTWRBCQBC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112780
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)COc1c(ccc(c1)C)C	PC-id_51317229	397.514	HIKUAAMAJDBBPK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112781
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)COc1cc(c(cc1)C)C	PC-id_51317230	397.514	RHXPHFWRECMDCD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112782
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)COc1ccc(cc1)CC	PC-id_51317234	397.514	UOUCKVBGIGJJTA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112783
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)COc1cc(CC)ccc1	PC-id_51317199	397.514	WJIJVKKZWIMBLD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112784
O=C(N1CCOC(C1)CCc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_139002730,EMOLS-id_320342830,MCULE-2934038113	397.514	PSBOXQAELVXXKJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112785
O=C(N1[C@@H](CCC1)c1ccc(OCC)cc1)NCCc1n2CCCCCc2nn1	PC-id_52216048	397.514	GZKUJXMAEYDYAU-IBGZPJMESA-N	00000010100000110101100000000010000000000000000000000000	31-01-112786
O=C(N1[C@H](CCC1)c1ccc(OCC)cc1)NCCc1n2CCCCCc2nn1	PC-id_52216049	397.514	GZKUJXMAEYDYAU-LJQANCHMSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112787
O=C(Nc1cccc(NCCN2CCOCC2)c1)c1n[nH]c2c1CCCCCC2	ZINC22_257200706,PC-id_110089358,BDD-25323793,MCULE-7867920283	397.514	AEOIILICCYJZFN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112788
O=C(Nc1nccs1)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1	EMOLS-id_48772262,MCULE-4101352497,PC-id_32223693,ZINC22_24916030	397.514	YLOBLTZLOQQPMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112789
O=C(N(c1scc(n1)C)c1ccccc1)CN1CCCc2c(C1=O)ccs2	EMOLS-id_48230836,PC-id_75370060,MCULE-8268384200	397.514	FOTKFNGBVJPGRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112790
O=C(NCc1n2CCCCCc2nn1)CCNC(=O)c1ccc(C(C)(C)C)cc1	PC-id_46524914	397.514	DVMHFQPLIGKSHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112791
O=C(NCc1n2CCCCCc2nn1)C(NC(=O)c1ccc(C(C)(C)C)cc1)C	PC-id_51266283	397.514	SDNGTTJHRZEOTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112792
O=C(NCc1n2CCN(CCc2nn1)C/C=C/c1ccc(OC)cc1)C(CC)C	PC-id_45198331	397.514	BKXGCXXVOBDNFD-AATRIKPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112793
O=C(NCc1n2CCN(CCc2nn1)CC=Cc1ccc(OC)cc1)C(CC)C	PC-id_75099962	397.514	BKXGCXXVOBDNFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112794
O=C(NCc1n2CCN(C(CCc3ccc(OC)cc3)C)CCc2nn1)C1CC1	PC-id_56856844	397.514	WGGLBISNDBEYCX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-112795
O=C(NCCc1n2CCCCCc2nn1)C(NC(=O)c1c(cccc1)C)C(C)C	PC-id_55534713	397.514	NXFFKRVRDICFGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112796
O=C(NCCc1n2CCCCCc2nn1)CNC(=O)c1ccc(C(C)(C)C)cc1	PC-id_51304516	397.514	BDSRFMCPMCAUGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112797
O=C(NCCc1nnc2n1CCCCC2)N1CCO[C@H](CCc2ccccc2)C1	ZINC22_182899466	397.514	PSBOXQAELVXXKJ-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112798
O=C(NCCc1nnc2n1CCCCC2)N1CCO[C@@H](CCc2ccccc2)C1	ZINC22_182899488	397.514	PSBOXQAELVXXKJ-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-112799
s1c2CCCCCc2nc1NC(=O)c1c(NC(=O)c2sccc2)cccc1	PC-id_24653550	397.514	BILFFQJDQVAHMI-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-112800
s1c2CCCCCCc2c(c1NC(=O)CSc1oc2c(n1)cccc2)C#N	PC-id_19727845	397.514	BZDBJWDDDYSRJL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112801
CC1C=CCc2c(C1)nc([nH]2)CN(Cc1nc2c([nH]1)cccc2)Cc1ccccc1	PC-id_142942426	397.515	MLYPTDLLKYCDBE-UHFFFAOYSA-N	00000000100000110111000001000010000000000000000000000000	31-01-112802
n12CCCCCc1nnc2C(=Cc1ccc(N(Cc2ccccc2)CC)cc1)C#N	PC-id_78565659	397.515	MCHJKIQILDFDRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112803
n12CCCCCc1nnc2/C(=C/c1ccc(N(Cc2ccccc2)CC)cc1)/C#N	PC-id_7911807	397.515	MCHJKIQILDFDRS-OQKWZONESA-N	00000000100000110101000000000010000000000000000000000000	31-01-112804
CCS(=O)(=O)CCn1ccc(n1)NC(=O)Nc1nc2c(s1)CCCCC2	PC-id_100907249	397.516	FUJYKWJGAGIWGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112805
N#Cc1c(NC(=O)CN2CCN(CC2)S(=O)(=O)N)sc2c1CCCCC2	EMOLS-id_110808601	397.516	RDUORTOAQGZELW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112806
N#CN1CCC(C1)C(=O)Nc1nc2c(s1)CCN(CC2)S(=O)(=O)C(C)C	SCHEMBL19281610	397.516	QHRIRBKMJFOPAT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-112807
N#CN1CC[C@@H](C1)C(=O)Nc1nc2c(s1)CCN(CC2)S(=O)(=O)C(C)C	SCHEMBL19281609	397.516	QHRIRBKMJFOPAT-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-112808
S(=O)(=O)(N(CC(=O)NCCc1n2CCCCCc2nn1)C)c1sccc1	PC-id_51307489	397.516	SLELBURLQUWNEV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-112809
S(=O)(=O)(NC(C(=O)NCCc1n2CCCCCc2nn1)C)c1sccc1	PC-id_60544228	397.516	LPAYXYGVFKGOCK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-112810
S(=O)(=O)(N[C@H](C(=O)NCCc1n2CCCCCc2nn1)C)c1sccc1	PC-id_52413962	397.516	LPAYXYGVFKGOCK-LBPRGKRZSA-N	00000000100100000101000000000010000000000000000000000000	31-01-112811
S(=O)(=O)(N[C@@H](C(=O)NCCc1n2CCCCCc2nn1)C)c1sccc1	PC-id_52413963	397.516	LPAYXYGVFKGOCK-GFCCVEGCSA-N	00000000100100000101000000000010000000000000000000000000	31-01-112812
c1(C(=O)N2CCC3(CC2)N(CCC)CCc2[nH]cnc32)nnc2CCCCCn12	MCULE-9826995682,EMOLS-id_49162736,PC-id_72895490,ZINC22_96151451	397.517	MBDHIDWXCSAXDX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112813
C[C@H](Sc1nnc2ccccn12)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4174931,PC-id_8394935,ZINC22_7297324	397.517	SPFFAZGSLUNAOO-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112814
C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_7297325,PC-id_8394936,CoCoCo_4174930	397.517	SPFFAZGSLUNAOO-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112815
CCNC(=NCc1ccc(cc1)C(=O)N(C)C)NCc1nnc2n1CCCCC2	PC-id_111873735	397.517	OQMKWPKHFMRMGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112816
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccccc1O	PC-id_111184228	397.517	YDKJJEWQRUDOFT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112817
CCNC(=NCc1nnc2n1CCCCC2)NCCc1cccc(c1)C(=O)NC	PC-id_111632773	397.517	YEVDCPALRMODIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112818
CN=C(N1CCN(CC1)c1ccccc1OC)NCc1nnc2n1CCCCC2	PC-id_111133507	397.517	KLVXSFHCBDWWLQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112819
CN=C(NC1CCN(C1)c1ccccc1OC)NCc1nnc2n1CCCCC2	PC-id_109705295	397.517	ADVQNYJRACSBKV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112820
CN=C(NCc1ccc(cc1)C(=O)N(C)C)NCCc1nnc2n1CCCCC2	PC-id_111873919	397.517	YIWTWFLWIALIBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112821
CN=C(NCc1nnc2n1CCCCC2)NCCc1cccc(c1)C(=O)N(C)C	PC-id_111668304	397.517	HFODEWCZTBRACH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112822
CN=C(NCCc1nnc2n1CCCCC2)NCCc1cccc(c1)C(=O)NC	PC-id_111633435	397.517	GOBIJZJRZRLOLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112823
CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnc4n3CCCCC4)C2)n1	MCULE-4611185061,PC-id_146111709,EMOLS-id_323977941,ZINC22_1875397063	397.517	JLAWJLDQWDSLQW-MRXNPFEDSA-N	00000010100000100101100000000010000000000000000000000000	31-01-112824
COc1cccc(c1)N1CCC(C1)NC(=NC)NCc1nnc2n1CCCCC2	PC-id_119150351	397.517	JOQKNDFNSUAZDA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112825
COc1ccc(cc1)N1CCN(CC1)C(=NC)NCc1nnc2n1CCCCC2	PC-id_111242587	397.517	KBADQFUQFYLJDD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112826
COc1cccc(c1)N1CCN(CC1)C(=NC)NCc1nnc2n1CCCCC2	PC-id_111290515	397.517	YLUSLHKRCNKRBQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112827
N#Cc1c(NC(=O)C(Sc2nnc3n2cccc3)C)sc2c1CCCCC2	MCULE-4778014918,PC-id_16328782,EMOLS-id_11765141	397.517	SPFFAZGSLUNAOO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112828
N[C@@H]1CCN(C1)c1nc(nc(c1C)C)C(=O)N1Cc2cnn(c2CC(C1)(C)C)C	PC-id_145912425,MCULE-1464513086,EMOLS-id_323963339	397.517	XTOIBQCPAWOGDK-MRXNPFEDSA-N	00000010100000100101100000000010000000000000000000000000	31-01-112829
O=C(NCc1nn2c(CN(CC3C(NNC3)c3ccccc3)CCC2)c1)N(C)C	PC-id_77842599	397.517	ACHSSHSAIPWKKH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112830
O=C(NCCc1n2CCCCCc2nn1)NCc1ccc(N2CCCCC2)nc1	PC-id_55745259	397.517	XRFMEKJKDGIXIE-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-112831
s1c(C[NH+]2CCn3c(nnc3CNC(=O)CCc3cccnc3)CC2)ccc1	PC-id_42330220	397.517	UXLFQGINGFZMTF-UHFFFAOYSA-O	00000000100100101101000000000010000000000000000000000000	31-01-112832
S(c1n2CCCCCc2nn1)CC(=O)C(=C1Sc2c(N1C)cccc2)C#N	PC-id_78611533	397.517	QPMVEQOENSMCAA-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-112833
S(c1n2CCCCCc2nn1)CC(=O)/C(=C/1Sc2c(N1C)cccc2)/C#N	PC-id_8132009	397.517	QPMVEQOENSMCAA-AQTBWJFISA-N	00000010100000100101000001000010000000000000000000000000	31-01-112834
CN=C(N1CCN(CC1)c1ncccn1)NCCCc1nnc2n1CCCCC2	PC-id_111207956	397.52	WAMHASBAZXFOIJ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-112835
c1(NC(=O)C2CC2c2ccccc2)sc2c(CCCCC2)c1C(=O)OCCC	EMOLS-id_4076028,MCULE-2299862658,PC-id_5007683,TIMTEC177397	397.53	GRPXMHKMFLESGC-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-112836
CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCCCC2	CoCoCo_6790619,ZINC22_2085626,PC-id_1744001	397.53	GRPXMHKMFLESGC-ZWKOTPCHSA-N	00100000100000110100100000000010000000000000000000000000	31-01-112837
CCCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCCC2	ZINC22_2085625,PC-id_1744000,CoCoCo_6790620	397.53	GRPXMHKMFLESGC-ROUUACIJSA-N	00100000100000110100100000000010000000000000000000000000	31-01-112838
CCCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCCCC2	ZINC22_2085627,CoCoCo_6790617,PC-id_1744002	397.53	GRPXMHKMFLESGC-MSOLQXFVSA-N	00100000100000110100100000000010000000000000000000000000	31-01-112839
CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCCCC2	ZINC22_2085628,CoCoCo_6790618,PC-id_1744003	397.53	GRPXMHKMFLESGC-QZTJIDSGSA-N	00100000100000110100100000000010000000000000000000000000	31-01-112840
OCC(c1ccc2-c(cc1)ccc2CCCCNS(=O)(=O)c1ccccc1)C	PC-id_139605616	397.53	HNTXMDSMULURBH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-112841
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(cc1)C)C(=O)OC(C)C	PC-id_3584713	397.53	QXXPFTVMZBAQGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112842
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(cc1)C)C(=O)OCCC	PC-id_4559708	397.53	XKBNPCCUNWDLGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112843
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(cc1)C)C(=O)OC(C)C	PC-id_5867692	397.53	QXXPFTVMZBAQGK-BUHFOSPRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112844
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(cc1)C)C(=O)OCCC	PC-id_6385530	397.53	XKBNPCCUNWDLGZ-BUHFOSPRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112845
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)OC	PC-id_4691756	397.53	FXQLTJUNFOCCLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112846
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)OC	PC-id_6187392	397.53	FXQLTJUNFOCCLM-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112847
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1ccc(cc1)C)C(=O)OCC	PC-id_4193133	397.53	IOWLYPVMFVXSEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112848
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1ccc(cc1)C)C(=O)OCC	PC-id_6033103	397.53	IOWLYPVMFVXSEM-CCEZHUSRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112849
s1c(NC(=O)C2C(C2)c2ccccc2)c(c2c1CCCCC2)C(=O)OC(C)C	PC-id_3657780	397.53	XOPOGQTUPPRSBP-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-112850
s1c(NC(=O)C2C(C2)c2ccccc2)c(c2c1CCCCCC2)C(=O)OCC	PC-id_4382417	397.53	HYBFHGYAUSNPJI-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-112851
c1(NC(=O)c2c3CCCCCc3on2)sc2c(CCC(C(C)(C)C)C2)c1C#N	PC-id_15996181,EMOLS-id_15972082,MCULE-9378862830,TIMTEC283091	397.534	LFJDGOOGHKSHIG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-112852
c1(NC(=O)CCc2c3ccccc3n(CCOC)c2)sc2c(CCCCC2)n1	EMOLS-id_323373146,MCULE-2111989225	397.534	YFKLXIGJWIFXGV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-112853
c1(NC(=O)CCCCCN2Cc3c(cccc3)C2=O)sc2c(CCCCC2)n1	EMOLS-id_323332389,MCULE-9440320636	397.534	LIILUYJAYLETKN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112854
c1(NC(=O)COc2cccc3c2ccn3CC(C)C)sc2c(CCCCC2)n1	EMOLS-id_323383529,MCULE-1800064952	397.534	RCGALWUWJUFOOU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-112855
Cc1cccc(NC(=O)C2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)n1	ZINC22_46807250,EMOLS-id_44534385,MCULE-3125050274,PC-id_71893032	397.534	RDGNEBSOFFSUIN-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-112856
CCc1cccc(C)c1N1CC(CC1=O)C(=O)Nc1nc2CCCCCc2s1	MCULE-8794285286,EMOLS-id_334604663	397.534	YLQPSBCUVGAMIU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-112857
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3noc4c3CCCCC4)c2C#N)C1	PC-id_40495899,ZINC22_4881302	397.534	LFJDGOOGHKSHIG-CYBMUJFWSA-N	00000000100010000101000000010010000000000000000000000000	31-01-112858
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3noc4c3CCCCC4)c2C#N)C1	PC-id_40495900,ZINC22_4881303	397.534	LFJDGOOGHKSHIG-ZDUSSCGKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-112859
CC(C)C[C@H](N1Cc2ccccc2C1=O)C(=O)Nc1nc2CCCCCc2s1	MCULE-9338583136,EMOLS-id_323352849	397.534	XOFXAJJPNLUIMC-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112860
CCCCC(N1Cc2ccccc2C1=O)C(=O)Nc1nc2CCCCCc2s1	MCULE-4954407318,EMOLS-id_323323197	397.534	VYWMQVPULPPWOT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112861
CC[C@H](C)[C@H](N1Cc2ccccc2C1=O)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_323291696,MCULE-5736919272	397.534	RAXRRPZYSXXPQB-LIRRHRJNSA-N	00000010100000100101000000001010000000000000000000000000	31-01-112862
CC(=O)N1CCN(CC1)c1cccc(c1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_101044681	397.534	ZULHRCRCPYEYCS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112863
CN1CC[C@@H](c2c(C1=O)n(CCCC[NH+]1CCN(CC1)c1ccccc1)cc2)O	GLL_PC-id_20085259	397.534	KWLJYUZCKWKSNO-NRFANRHFSA-O	00000000100010110101100000000010000000000000000000000000	31-01-112864
COc1ccccc1[C@@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_3586090,ZINC22_13058631,PC-id_25692957	397.534	HCDAUHHLGLDGTO-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112865
COc1ccccc1[C@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25692959,ZINC22_13058633,CoCoCo_3586091	397.534	HCDAUHHLGLDGTO-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112866
COc1cccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1	EMOLS-id_24162330,CoCoCo_3578248,PC-id_25693937,CoCoCo_3578249,MCULE-2223593435,ZINC22_13060627	397.534	QLYGTFLHLWERNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112867
COc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC22_13060664,EMOLS-id_48933727,MCULE-5872345939,CoCoCo_3576099,PC-id_25693952,CoCoCo_3576100	397.534	VKIVLHLHIBTPLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112868
COCCCN1C[C@H](NCC)c2c(CS1(=O)=O)sc(c2)S(=O)(=O)N	PC-id_142860751	397.534	RWMMGLZQHKTTDS-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-112869
N#Cc1c(NC(=O)CCNC(c2ccccc2OC)C)sc2c1CCCCC2	PC-id_42913842,MCULE-1545373985,EMOLS-id_24163258	397.534	HCDAUHHLGLDGTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112870
NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc3c(s2)CCCCCC3)c1	CoCoCo_4321152,PC-id_41269973,EMOLS-id_43998175,MCULE-4300496244,ZINC22_9905481	397.534	HWYVVAIQQJERNJ-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-112871
O=C(N1CCCC1)Nc1cccc(c1)CNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98556747	397.534	ADDWNNLOXPDJOD-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-112872
O=C(N1CCC(CC1)NC(=O)c1cc2c(s1)CCCCC2)Nc1ccccc1	EMOLS-id_98752759	397.534	WMTGBNJFYZDUEP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-112873
O=C(Nc1ccccc1)N1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1	PC-id_45855842,EMOLS-id_43980808,ZINC22_36393185,CoCoCo_4218018,MCULE-7816873805	397.534	QHNCEFAZICZFAA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112874
O=C(Nc1ccccc1)NC1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98550761	397.534	VUUFJHLBEMTFLG-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-112875
O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cc2c(s1)CCCCCC2	ZINC22_60868603,PC-id_71895246,MCULE-1110170279,EMOLS-id_43642032	397.534	GYDXGQGJONOFAQ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-112876
O=C(NC1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1)c1ccncc1	MCULE-3351809103,PC-id_51117320,ZINC22_42715799,EMOLS-id_33351938	397.534	QCOFODYSGBYJFO-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-112877
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)C(=O)Nc1cc(ccc1)C	PC-id_56410178	397.534	SPNKROYJXYEGQD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112878
s1c2CCCCCc2cc1C(=O)NNC(=O)C1N(CCC1)Cc1ccccc1	PC-id_60579161	397.534	LSGBOTPXWSJUTO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-112879
s1c2c(CCCCC2)c(c1NC(=O)C1CCCCC1)C(=O)Nc1ncccc1	PC-id_76317558	397.534	FIWQCNPUOJKEAV-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-112880
s1c2CCCCCc2c(c1NC(=O)CCN(CCOc1ccccc1)C)C#N	PC-id_24427986	397.534	IOBNDWJDYMMUJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112881
s1c2CCCCCc2c(c1NC(=O)CCN(CC(O)C)c1ccccc1)C#N	PC-id_56336783	397.534	KOWWKMLGQFIQKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112882
s1c2CCCCCc2c(c1NC(=O)CN(C(c1ccc(OC)cc1)C)C)C#N	PC-id_55552204	397.534	LUKZKNWOOKAWIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112883
s1c2CCCCCc2c(c1NC(=O)CN(Cc1ccc(OCC)cc1)C)C#N	PC-id_4818757	397.534	RFTQGNUDWPHBLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112884
s1c2CCCCCc2c(c1NC(=O)CN(C(c1c(OC)cccc1)C)C)C#N	PC-id_46405580	397.534	YTEAORGLKKDANL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112885
s1c2CCCCCc2c(c1NC(=O)CN(CCCOc1ccccc1)C)C#N	PC-id_37115212	397.534	BLZFULDKQOMKMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112886
s1c2CCCCCCc2nc1NC(=O)C1N(CCC1)C(=O)Cc1ccccc1	PC-id_56070733	397.534	KBXPJMZYNJDQIF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-112887
s1c2CCCCCCc2nc1NC(=O)C(N1CCCCC1=O)c1ccccc1	PC-id_56506369	397.534	HAJVZKCLWNJMSR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112888
CCC(c1nnc2n1CCCCC2)NC(=O)N1CC(C)S(=O)(=O)C(C1)CC	EMOLS-id_99782767	397.535	PCFNDWMSOXXGAE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112889
CC(C)S(=O)(=O)N1CCC(NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)CC1	EMOLS-id_177302803,ZINC22_585098037,MCULE-5537536506	397.535	HLBIBHSDVLQDDR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112890
CCN1CCN(CCNC(=O)c2ccc3CN(CCCn23)S(=O)(=O)C)CC1	EMOLS-id_317416030,MCULE-7989870988	397.535	HZUNMWPQEXLTMB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112891
O=C1NCCCCn2ncnc2S(=O)(=O)CCCCC/C=CCCCCN1	SCHEMBL17278723,PC-id_118528572	397.535	OUONQIBXXZZRMS-UPHRSURJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-112892
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(nn1)C)C(=O)OC	PC-id_3965577	397.535	YMUBQSGYBVTKTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112893
c1(C(=O)NC(CCSC)c2n(C)c3c(cccc3)n2)c2CCCCCc2n[nH]1	PC-id_91639439,EMOLS-id_54878202,EMOLS-id_301151950,MCULE-4580638511	397.537	DKMPIUIZSFZQLH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112894
c1(C(=O)N[C@@H](CCSC)c2n(C)c3c(cccc3)n2)c2CCCCCc2[nH]n1	MCULE-3203351087,STOCK7S-48958,EMOLS-id_50229007	397.537	DKMPIUIZSFZQLH-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112895
Cc1ccc2nc(CSCC(=O)N3Cc4cnn(C)c4CC(C)(C)C3)cn2c1	EMOLS-id_316876269,ZINC22_596005090,PC-id_136552872,MCULE-5550004672	397.537	VQVLCSLEKVBFIM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112896
Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_19963764,PC-id_24620381,CoCoCo_4580686,ZINC22_22383739,MCULE-5865688820	397.537	HYAKAQAIRPAARW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112897
CC(c1nc2ccccc2[nH]1)SCC(=O)N1Cc2c(CC(C1)(C)C)n(nc2)C	PC-id_136552870,EMOLS-id_317732310,MCULE-8065700445	397.537	ITUNXXDNRKJYOJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112898
CSCC[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)c1nc2ccccc2n1C	ZINC22_252527809	397.537	DKMPIUIZSFZQLH-QGZVFWFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112899
N#Cc1c(NC(=O)CCN2CCCC(C2)c2ncc[nH]2)sc2c1CCCCC2	EMOLS-id_100038336	397.537	ZGLGDEUFPIKAQG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-112900
N#Cc1c(NC(=O)CN2CCCC2c2c(C)[nH]nc2C)sc2c1CCCCC2	EMOLS-id_98246215	397.537	GILNAMVIWZSHNQ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-112901
N#Cc1c(NC(=O)CN2CCCC(C2)c2ccnn2C)sc2c1CCCCC2	EMOLS-id_97876905	397.537	QGEWEXUAUGRHBT-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-112902
N#Cc1c(NC(=O)C(N2CCCC(C2)c2ncc[nH]2)C)sc2c1CCCCC2	EMOLS-id_100045455	397.537	JTKIUGMCCYMPJA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-112903
N#Cc1c(NC(=O)CN2CCC(CC2)c2[nH]nc(c2)C)sc2c1CCCCC2	EMOLS-id_98742775	397.537	HRXUMCNXXTZIKX-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-112904
N#Cc1c(NC(=O)C(N2CCC(CC2)n2cncc2)C)sc2c1CCCCC2	EMOLS-id_98878273	397.537	XIMPOEHQZJNWFC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-112905
O=C(NC1CC[NH+](CC1)Cc1ccccc1)NCCc1n2CCCCCc2nn1	PC-id_52211953	397.537	KTBZGFAOMGPQNU-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-112906
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1[nH+]cccc1)C#N	PC-id_8023665	397.537	GDBKJMGXPMIISP-UHFFFAOYSA-P	00000000100010101101100000000010000000000000000000000000	31-01-112907
s1c2CCCCCCc2nc1NC(=O)CCc1c(n2nc(cc2nc1C)C)C	PC-id_56022749	397.537	CQCXBJMBCLZSKH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112908
s1c2CCCCCCCCCCc2nc1NC(=O)Cn1nnc2c1cccc2	PC-id_30376839	397.537	KFEFRWNHJRHPAO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112909
s1cc(nc1C)COc1ccc(CNCCc2n3CCCCCc3nn2)cc1	PC-id_56438197	397.537	XETLPHUDPDJHQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112910
S1C(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)Cc2c1cccc2	PC-id_51317257	397.537	VEHRYAORMSGTBX-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-112911
CCCCN(c1nc2n(c1COCC)CCCCC2)C(=O)c1cccc(c1)CC	PC-id_143304813	397.554	JPUJGTPZIZCJPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112912
O=C(c1ccc(cc1)CC1CCCCCc2c1nnn2C(C)(C)C)OC(C)(C)C	SCHEMBL16980280,PC-id_118284559	397.554	VQBAQYYXXMIOCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112913
s1c2CCCCCc2cc1C(=O)NNC(=S)NCCCCCC(=O)OC	PC-id_8726817	397.555	TYSCATKGYURKBC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112914
s1c2c(CCCCCC2)c(c1NC(=S)NN1CCOCC1)C(=O)OCC	PC-id_19653752	397.555	HXWUBKFRWPNFRM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-112915
S(=O)(=O)(CC(N(CC(=O)Nc1sc2c(CCCCC2)c1C#N)CC)C)C	PC-id_60306472	397.555	VDPZTXVLUWJVQI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112916
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(CCC)CCn12	MCULE-4946024597,PC-id_45187109,EMOLS-id_20471959	397.557	VXTFXNAPGJULGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112917
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(cc3)C(C)C)CCn12	EMOLS-id_20562583,MCULE-4612982365,PC-id_45207804	397.557	ONLBOJXMWWRVSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112918
Cc1ccsc1CN1CCc2nc(C(=O)NCc3ccccc3)sc2CC1	ZINC22_1204019631,EMOLS-id_313792825	397.557	MCNAGVLPUYGDAI-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-112919
CCC(CC)CN1CCc2nnc(C(C)NC(=O)CCc3ccccc3)n2CC1	MCULE-6304014559,ChEMBL-DNDi_CHEMBL56732028,EMOLS-id_20622531,PC-id_45221925	397.557	KJGZXABRJNHSAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112920
CCC(CC)CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1	CoCoCo_1451910,ZINC22_14964437,PC-id_26324566,CoCoCo_1451909	397.557	KJGZXABRJNHSAZ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112921
CCC(CC)CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1	CoCoCo_1451912,PC-id_26324568,ZINC22_14964441,CoCoCo_1451911	397.557	KJGZXABRJNHSAZ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112922
CCCN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1	CoCoCo_1231224,ZINC22_11814428,CoCoCo_1231225,PC-id_42190945	397.557	VXTFXNAPGJULGL-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112923
CCCN1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1	ZINC22_11814430,PC-id_42190949,CoCoCo_1231226,CoCoCo_1231227	397.557	VXTFXNAPGJULGL-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112924
CC(CN1CCC(CC1)Nc1ccc(cc1)Cc1nnc2n1CCCCC2)(O)C	EMOLS-id_316628068	397.557	BRINWQLNBTZKJM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-112925
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(C(C)C)cc1)CC2)C(C)C	CoCoCo_1362186,CoCoCo_1362185,ZINC22_12282087	397.557	ONLBOJXMWWRVSI-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112926
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(C(C)C)cc1)CC2)C(C)C	ZINC22_12282089,CoCoCo_1362184,CoCoCo_1362183	397.557	ONLBOJXMWWRVSI-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112927
O=C(NCc1n2CCN(CCc2nn1)Cc1ccc(CC(C)C)cc1)C(CC)C	PC-id_56855189	397.557	FKUKQZVPLJKOPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112928
s1c(NC(=O)[C@@H]([NH+]2[C@H](CCC2)c2n(ccc2)C)C)c(c2c1CCCCC2)C#N	PC-id_41143998	397.557	QAZWGEOVYIBBCB-HNAYVOBHSA-O	00000010110000000100100000000010000000000000000000000000	31-01-112929
s1c(NC(=O)[C@H]([NH+]2[C@H](CCC2)c2n(ccc2)C)C)c(c2c1CCCCC2)C#N	PC-id_41144000	397.557	QAZWGEOVYIBBCB-DNVCBOLYSA-O	00000010110000000100100000000010000000000000000000000000	31-01-112930
s1c(NC(=O)C([NH+]2C(CCC2)c2n(ccc2)C)C)c(c2c1CCCCC2)C#N	PC-id_74749208	397.557	QAZWGEOVYIBBCB-UHFFFAOYSA-O	00000010110000000100100000000010000000000000000000000000	31-01-112931
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(C)s3)CCn12	PC-id_45244259,ChEMBL-DNDi_CHEMBL86467162,MCULE-9840499532,EMOLS-id_232782858	397.559	UYIMLPOGDVRVAP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-112932
Cc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)s1	CoCoCo_1593579,CoCoCo_1593580,ZINC22_20541270	397.559	UYIMLPOGDVRVAP-MRXNPFEDSA-N	00000000100100000101000000000010000000000000000000000000	31-01-112933
Cc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)s1	CoCoCo_1593581,CoCoCo_1593582,ZINC22_20541272	397.559	UYIMLPOGDVRVAP-INIZCTEOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-112934
CC(C(c1nnc2n1CCN(CC2)Cc1sccc1C)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL62606893,PC-id_45167068	397.559	HOPBGIDDEKMYQC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-112935
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)CC(=O)NCCCOC	PC-id_51632361	397.559	XVIKMHMDOQGPMV-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-112936
CCN(C(c1ccccc1)CNC(=NC)NCc1nnc2n1CCCCC2)CC	PC-id_111011137	397.56	DOXBHIUCCZYGPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112937
CCNC(=NCc1nnc2n1CCCCC2)NCCCN(c1ccccc1)CC	PC-id_111390001	397.56	CFQHZDQXIKKFKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112938
CCNC(=NCc1nnc2n1CCCCC2)NCCN(c1cccc(c1)C)CC	PC-id_111330716	397.56	MPRUQGMLHUCGRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112939
CN=C(NCc1nnc2n1CCCCC2)NCCC(N(Cc1ccccc1)C)C	PC-id_111719080	397.56	KVMHVRHKCOPGQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112940
CN=C(NCCc1nnc2n1CCCCC2)NCCCN(c1ccccc1)CC	PC-id_111390039	397.56	XSFRLOASVXDYMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112941
CN=C(NCCc1nnc2n1CCCCC2)NCCN(c1cccc(c1)C)CC	PC-id_111330478	397.56	XXCQHNSTMGUXPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112942
CC(c1ccc(c2-c(c1)c(C)cc2/C(=CNS(=O)(=O)C)/C1=CCCCC1)C)C	PC-id_142734112	397.573	RTGOTNWOGRTANZ-HAHDFKILSA-N	00000010100011000110000000000010000000000000000000000000	31-01-112943
S1(=O)(=O)C[C@H]([NH+]2CCN(CC2)C(=O)c2sc3c(c2)CCCCCC3)CC1	PC-id_9500792	397.575	CZLDMGVDKSAXTQ-MRXNPFEDSA-O	00000010100010000101100000000010000000000000000000000000	31-01-112944
S1(=O)(=O)C[C@@H]([NH+]2CCN(CC2)C(=O)c2sc3c(c2)CCCCCC3)CC1	PC-id_9500794	397.575	CZLDMGVDKSAXTQ-INIZCTEOSA-O	00000010100010000101100000000010000000000000000000000000	31-01-112945
S1(=O)(=O)CC([NH+]2CCN(CC2)C(=O)c2sc3c(c2)CCCCCC3)CC1	PC-id_85026777	397.575	CZLDMGVDKSAXTQ-UHFFFAOYSA-O	00000010100010000101100000000010000000000000000000000000	31-01-112946
Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2c(s1)CCCCCC2	EMOLS-id_43822439,CoCoCo_3251306,ZINC22_32976355,PC-id_40202269,MCULE-6498364503,CoCoCo_3251307	397.577	AWMUCXQWWIUCDT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112947
CCOc1c(cc(cc1CNCCCN=C1CCC(=C)c2c(N1)ccs2)C)C	PC-id_136503619	397.577	QXEXCYXDKDZPFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112948
s1c2CCCCCc2cc1C(=O)Nc1c(cc(N2CCN(CC2)CC)cc1)C	PC-id_24488207	397.577	AFGGWCYIQCEKGT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112949
s1c2CCCCCc2cc1C(=O)NCCCN1CCN(CC1)c1ccccc1	PC-id_38448696	397.577	DHZGOCMALXZIKW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112950
s1c2c(CCCCC2)cc1C(=O)NC[C@@H](N1CCN(CC1)c1ccccc1)C	PC-id_51658544	397.577	HMBVRDIRBJGCIM-SFHVURJKSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112951
s1c2c(CCCCC2)cc1C(=O)NC[C@H](N1CCN(CC1)c1ccccc1)C	PC-id_51658545	397.577	HMBVRDIRBJGCIM-GOSISDBHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112952
s1c2c(CCCCC2)cc1C(=O)NCC(N1CCN(CC1)c1ccccc1)C	PC-id_75802806	397.577	HMBVRDIRBJGCIM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-112953
CC(CCC=C(C)C)CN1CCc2nnc(CNS(=O)(=O)C(C)C)n2CC1	MCULE-3619781197,PC-id_45172195,EMOLS-id_232704388	397.578	WDHORNGVURRTJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112954
CC(=CCC[C@H](C)CN1CCc2nnc(CNS(=O)(=O)C(C)C)n2CC1)C	CoCoCo_1142094,CoCoCo_1142096,ZINC22_12055497	397.578	WDHORNGVURRTJI-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112955
CC(=CCC[C@@H](C)CN1CCc2nnc(CNS(=O)(=O)C(C)C)n2CC1)C	CoCoCo_1142095,ZINC22_12055498,CoCoCo_1142097	397.578	WDHORNGVURRTJI-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112956
s1c2CCCCCc2cc1C(=O)NNC(=S)NCCC[NH+]1CCOCC1	PC-id_8726803	397.578	CTGDRBUWGQEVFQ-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-112957
s1c2c(CCCCCC2)c(c1NC(=S)NCCCN(C)C)C(=O)OCC	PC-id_17300790	397.598	NSFHSZXDZMAQET-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-112958
Brc1ccc(c(c1)Cl)CNC(=O)N1CCCc2c(C1)cnn2C	EMOLS-id_101714477	397.697	XBUKTEIVNBUQAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112959
Brc1cc(Cl)c(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_52337887	397.697	RIPBLRYOPAJQAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112960
Brc1cc(C(=O)NCCc2n3CCCCCc3nn2)c(Cl)cc1	PC-id_51304491	397.697	QKFSMNWEZKYXGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112961
Clc1cc(CNC(=O)N2CCCc3c(C2)cnn3C)cc(c1)Br	EMOLS-id_101702576	397.697	XNCARESKACDVQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112962
O=C(N1CCCc2c(C1)cnn2C)Nc1cc(Cl)c(cc1Br)C	EMOLS-id_101870100	397.697	IIQKLLHFGXYBCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112963
O=C(N1CCCc2c(C1)cnn2C)NCc1cccc(c1Cl)Br	EMOLS-id_101703728	397.697	PSKJLWDKHDWOKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112964
CC/C/1=Cc2[nH]c(nc2/C=C/OC(O1)(F)F)NC(=O)C/C=C/C=CC(=C)Cl	PC-id_145689546	397.804	MQAOLEJLUFPHFL-NQMNJJARSA-N	00000000100000000111000000000010000000000000000000000000	31-01-112965
C1CN(CCc2c1nc(o2)C(=O)Nc1ccc(cc1)Cl)Cc1cc(ccc1)O	PC-id_134805558	397.855	HKPOHFZVOSSHOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112966
Clc1ccc(C2=NC(=O)C(C(=O)NCc3n4CCCCCc4nn3)C=C2)cc1	PC-id_75256725	397.858	GVWSSNYCKAAFQI-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-112967
Clc1ccc(cc1)c1ccc(C(=O)NCc2nnc3CCCCCn23)c(=O)[nH]1	MCULE-5504339814,SYN-22871994,ZINC22_19718210,EMOLS-id_30446931,PC-id_46975848,CoCoCo_503997	397.858	HRHLHUYVXZBDMD-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-112968
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1cc(Cl)ccc1OC	MCULE-3689349373,EMOLS-id_33087314,PC-id_53182933	397.876	DUOZAAHYZQLPNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112969
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(OC)c(Cl)c1	MCULE-9011075920,PC-id_53182909,EMOLS-id_33087202	397.876	RFJDYBGYNNBRNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112970
Clc1ccc(cc1)CN1Cc2c(C)nn(c2OCC1COc1ccccc1)C	EMOLS-id_323938798,PC-id_146160629	397.898	JGQZQDHASRZSNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112971
Cc1ccc(C)n1c1ccc(Cl)c(C(=O)NCc2nnc3n2CCCCC3)c1	ZINC22_24923503,EMOLS-id_17217861,MCULE-1309150945,CoCoCo_4625779,PC-id_24249650	397.901	NFPYJXRJEJFRSR-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-112972
C=C/C(=CC=C(Cl)/C)/n1nc(c2=C=CC=NC=C=c12)NCCN1CCOCC1	PC-id_144974791	397.901	PIHWMNCJIUZDMQ-NHJGBPITSA-N	00000000100010000111000000000010000000000000000000000000	31-01-112973
Clc1ccc(c(c1)CNCc1nnc2n1CCCCC2)OCc1cccnc1	MCULE-2284081868,PC-id_121836678,EMOLS-id_51064525	397.901	VPOZVTHNPZJQKA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-112974
Clc1ccc2c(c1)c(c(s2)C)S(=O)(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102026785	397.903	GEHDSGFPLRMETD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112975
Clc1c(C)nn2c1ncc(c2)S(=O)(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98837502	397.903	COBMBSYPAZDWAG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-112976
Clc1ccccc1COc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	SCHEMBL6987431,PC-id_53987342	397.918	KCLOIEVKFGDYNK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112977
Clc1cc(NC(=S)NNC(=O)c2sc3CCCCCc3c2)ccc1F	PC-id_8726784	397.918	BWLPMYDBPYGFFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-112978
CC(C1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC)Cl	PC-id_90732708	397.941	XFGHFNHNJLRBNL-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-112979
CC(C1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC)Cl	PC-id_136044494	397.941	UTOATIUMPPWTFX-LPYMAVHISA-N	00000011110000000100100000000010000000000000000000000000	31-01-112980
ClC(C1CCCCCCc2[nH]c(c1c2)/C=c
/[nH]/c(=C/2N=CC=C2)/cc1OC)C	PC-id_59896540	397.941	XFGHFNHNJLRBNL-XBYLOEFOSA-N	00000011110000000100100000000010000000000000000000000000	31-01-112981
Clc1sc(CN2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)cc1	PC-id_31011239	397.989	CXFGXJXSOQGCCY-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-112982
CC([C@H]1C=CC2=C(N(C=C2S(=N)(=O)N1)C)C(NC3=CC(=C(C=C3)F)F)O)O	PC-id_154991288	398.122	JYGYJEYIUBUPJV-IPTCWRCKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-112983
CN1c2c([nH]nc2)OC[C@@H](C1=O)NC(=O)c1n[nH]c2c1C[C@H](CC2)C(F)(F)F	PC-id_163624485	398.131	HQXJRAAYNACRTG-XVKPBYJWSA-N	00000000100010000101000000010010000000000000000000000000	31-01-112984
CC1=C(C=C(C=C1)NC(=O)C2=C3CC[C@](NS(=O)(=O)C3=CN2C)(C)C=C)C#N	PC-id_160375991	398.141	NANBRPYIMACULX-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112985
CC1=C(C=C(C=C1)NC(=O)C2=C3CC[C@@](NS(=O)(=O)C3=CN2C)(C)C=C)C#N	PC-id_160425314	398.141	NANBRPYIMACULX-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112986
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)NC(CO3)(C)CC=C)C#N	PC-id_154682094	398.141	HEJMOFLMKSPLED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112987
CC1=NC2=C(S1)CC[C@@H](C(=O)N2C)NC(C3=NNC(=N3)CC4=CC=CC=C4)O	PC-id_155175472	398.152	KPSMOXYOLGSVTJ-FVRDMJKUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112988
CCCCCCC1COc2c(OC1)c(sc2Br)Br	PC-id_101388195	398.154	GYOCUMSXOVWXAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-112989
C1CC2=NN(C(=O)N2CC[C@H]1C(=O)NCC(F)(F)F)CCOC3=CC=CC=C3	PC-id_164639834	398.157	WZVHAZSOZUFVHW-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112990
Ic1c(c2-c(c1C(=O)OCC)ccccc2)C(=O)OCC	PC-id_71370885	398.192	KRMHZZDBZFWJNV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-112991
Ic1ccc2-c(c(cc2C(=O)OCC)C(=O)OCC)cc1	PC-id_12947931	398.192	DEUNRXAIPXRMJY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-112992
CCN1CC(=O)c2c(nc(n2C)/C=C/c2cc(c(cc2)OC)OC)N(C1=O)CC	PC-id_163794599	398.195	MZRSRJCDBVLZGJ-PKNBQFBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112993
CN(C)/C=C(C#N)/C(=O)c1cc2c([nH]1)CC=C(C(=C2)OC(F)F)Br	PC-id_134449533,SCHEMBL20085216	398.202	XCCMQDMVQHVTMT-CSKARUKUSA-N	00000000100000000110000000000010000000000000000000000000	31-01-112994
CC1=C(C=C(C=C1)C(=O)N2CC(C3=C(NN=C3C(=C2)C(=O)NC(C)C)C)(C)C)F	PC-id_161162001	398.212	YMESIXOXHAPDAY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-112995
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCCc1cc(cc(c1)Cl)Cl	PC-id_86346063,SCHEMBL16100207	398.241	HGEUQYWYIVUJLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112996
CC(C)CN1C(=O)N2[C@@H](CCCCC2=N1)C(=O)N3CCN(CC3)C4=CC=CC=N4	PC-id_164640720	398.243	JCZYYIODQRQVMA-KRWDZBQOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-112997
CCOC(=O)c1c(c(c2-c1ccc(cc2)Br)C=Nc1ccccc1)O	PC-id_136814871	398.25	YTLRXNOOWXZQLZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-112998
Ic1ccccc1C(=O)Nc1nc2CCCCCc2s1	MCULE-5119736477,EMOLS-id_16785084,CoCoCo_4546047,ZINC22_12762538,PC-id_17536271	398.262	ZKVTZMYKZBIMAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-112999
Ic1ccc(NC(=O)c2sc3CCCCCc3c2)nc1	PC-id_65099182	398.262	RPEACWSCZZTUTI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-113000
c1(NC(=O)c2ccc(Br)o2)sc2c(CCCCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL7274686,EMOLS-id_2444678,SPECS-id_AK-968/15252100,PC-id_1011912,CoCoCo_904553,MCULE-4171549672,ZINC22_672691	398.272	BLWRFGLQCQQSPR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-113001
O=C(CNC(=O)c1ccc(Br)o1)Nc1nc2c(s1)CCCCC2	ZINC22_12829049,PC-id_25541273,MCULE-5224057974,CoCoCo_4564208,EMOLS-id_25654876	398.275	CNWIFJRTNOFSDK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-113002
CC(C)C1=NN(C2=C1CNCC(C2)C(C)(C)C3=NN(C4=C3CN(C4)C(=O)C)C)C	PC-id_155148571	398.279	ZPHXIADRWIVWKD-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-113003
CC(C)(C)N1C2=C(C=N1)C(=O)NC(CC2)CC(C)(C)N3C=C4CNCCCC4=N3	PC-id_155175850	398.279	VPAUCWNLAHQNAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113004
c1(NC(=O)Nc2ccc(cc2F)Br)sc2c(CCCCCC2)n1	MCULE-4053809182,PC-id_20966653,EMOLS-id_16329892,CoCoCo_2552436	398.293	QGVZWDKTYUWLSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113005
CCCC(C1=CC(C1C)C=C([NH+](C)C)F)C(=C)c1c(c2c([nH]1)CCCN=CC2)C	PC-id_163721997	398.297	KSJJTQGHSCWYRL-UHFFFAOYSA-O	00001100100000000110000000000010000000000000000000000000	31-01-113006
CC(=C)CC(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)Br)C	PC-id_89192061	398.298	LNUJHIUYQISNBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113007
CNC(=O)[C@@H](NC(=O)c1nc(n2c1CN(C)CCC2)Br)CC(=C)C	SCHEMBL13878399	398.298	LNUJHIUYQISNBP-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-113008
Ic1ccc(cc1)CC(c1cc2c(s1)CCCCC2)O	PC-id_115802698	398.302	OBLFCTUTYICROG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113009
c1(NC(=O)c2cc(Cl)ccc2Cl)sc2c(CCCCC2)c1C(=O)OC	MCULE-4111766180,EMOLS-id_2096739,TIMTEC541470,SPECS-id_AK-968/11992274,CoCoCo_684874,ChEMBL-DNDi_CHEMBL5703893,PC-id_1741305,ZINC22_2082057	398.303	XBUOQBMZJIBPIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113010
c1(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c(CCCCC2)c1C(=O)OC	ZINC22_6735030,TIMTEC416308,MCULE-5215856418,PC-id_4573832,CoCoCo_6802922,EMOLS-id_4076478	398.303	QXZZDESMTNEQRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113011
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1Cl	PC-id_5047826	398.303	PKFOQUXULVXHQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113012
Clc1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc(Cl)c1	PC-id_7352105	398.303	LMXJGIOGPMRFID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113013
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_4461535	398.303	KRWSTRJTTBGNCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113014
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(Cl)ccc1	PC-id_3642470	398.303	LTPJYBNOFMVBPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113015
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cccc1Cl	PC-id_16509486	398.303	FSBHKZUTMGQTGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113016
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc(Cl)c1	PC-id_7352129	398.303	AALDCTKEQKECFM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113017
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc(Cl)cc1	PC-id_7352100	398.303	PJVCWRLNPKIYNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113018
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)c(Cl)ccc1	PC-id_7352135	398.303	GXFMJNMDOLSTIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113019
c1(NC(=O)CNC(=O)c2ccc(cc2Cl)Cl)sc2c(CCCCC2)n1	MCULE-2092743608,EMOLS-id_334604913	398.307	SDQJSWHMVYBREC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113020
Clc1cc(NC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)ccc1Cl	PC-id_4327643	398.307	QCLUBCFXPOPJKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113021
CCN1CCCC2=C(C1)C(=NN2)C(C)(C)C3CC4=C(CN(C3)C)C(=NN4)C(C)C	PC-id_155148593	398.316	RLLOLIQPBGHIJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113022
Brc1cc(OCC(O)CSc2n3CCCCCc3nn2)ccc1	PC-id_71901736,EMOLS-id_44517683,MCULE-6968368403	398.318	UPXVTTPZXLKZPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113023
Brc1c(CSc2n3CCCCCc3nn2)cc(OC)c(OC)c1	PC-id_8941889	398.318	KSBFGAAUAOXPQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113024
Cc1cc(Br)c(cc1S(=O)(=O)N1CCCc2c(C1)cnn2C)C	EMOLS-id_101948565	398.318	NIASYMPZQISFID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113025
COc1ccc(CSc2nnc3n2CCCCC3)c(Br)c1OC	PC-id_71890707,EMOLS-id_44538897,MCULE-9477425990,ZINC22_54913359	398.318	FEVYKCGYBSUCND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113026
COc1cc(CSc2nnc3n2CCCCC3)c(OC)cc1Br	ZINC22_6097381,MCULE-3650628453,EMOLS-id_12020557,PC-id_7876847,CoCoCo_3081613	398.318	VGTAMCGMAXQGKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113027
O[C@H](COc1cccc(Br)c1)CSc1nnc2n1CCCCC2	PC-id_94896712,ZINC22_61716013	398.318	UPXVTTPZXLKZPQ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113028
O[C@@H](COc1cccc(Br)c1)CSc1nnc2n1CCCCC2	PC-id_95168405,ZINC22_66237606	398.318	UPXVTTPZXLKZPQ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113029
C1CCc2c(CC1)sc(c2C#N)/N=C/c1cc2c([nH]1)ccc(c2)Br	PC-id_137243492	398.319	SFTVENXAIVOHBI-SSDVNMTOSA-N	00000000100000100100000001100010000000000000000000000000	31-01-113030
CCNC(=NCc1cc(c(n1C)Cl)Cl)NCc1nnc2n1CCCCC2	PC-id_109767031	398.333	JUDXJSRYJWFIOE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-113031
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(O)ccc([N+](=O)[O-])c1	PC-id_19523876	398.336	NCUAXPCYWITPNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113032
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(O)cc([N+](=O)[O-])cc1	PC-id_19523877	398.336	LWTAMHDXUNJQON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113033
FC(F)(F)c1ccc(c2ccc(Cc3[nH]c4c(c3)C(=O)CCNC4=O)cc2)cc1	PC-id_56970449	398.378	LMWKRNPZFOTOIT-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-113034
FC(F)(F)c1ccc(c2ccc(Cn3c4c(C(=O)CCNC4=O)cc3)cc2)cc1	PC-id_46946211	398.378	XELONJFDXYCVCA-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-113035
CCOc1ccc(cc1NC(=O)Cn1nc2n(c1=O)CCCCC2)C(F)(F)F	PC-id_86843692	398.38	COXSHXFCJHRLKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113036
O=C(C1CCn2c(CC1)nn(c2=O)CCOc1ccccc1)NCC(F)(F)F	EMOLS-id_207876671,MCULE-9559133130	398.38	WZVHAZSOZUFVHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113037
Cc1cc(nn1CC(=O)N1CCc2nn(c(=O)n2CC1)CC1CC1)C(F)(F)F	PC-id_91922449	398.383	FTKZMMWEGGJHHF-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-113038
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(nn(c1)C)C(=O)NC	PC-id_19523830	398.383	HFJOWRVROJRBCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113039
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1C(=O)N)CC	PC-id_19523737	398.383	DVFAVTJCVNTHTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113040
OC1[C@H](CCn2c(N1C)ccn2)NC(=O)c1n[nH]c2c1C[C@@H](CC2)C(F)(F)F	SCHEMBL19659056	398.383	CKWWUIOIEVIXLW-BVZBXKMVSA-N	00000000100010000101000000010010000000000000000000000000	31-01-113041
O=C(N1CCC(CC1)n1ccc(n1)C(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102167053	398.386	CVCVLOLJGCLISA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-113042
O=C(N1CCCC(C1)n1ccc(n1)C(F)(F)F)NC1CCn2c(CC1)nnn2	EMOLS-id_102167080	398.386	RKNTXQMEFBSQDR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-113043
O=C1CCC(=O)OCn2c(c(O1)c(C)n2)Cn1ncc(c1)c1ccc(c(c1)C)F	PC-id_140810683	398.388	JGSXKRYMEWTANX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113044
Cc1noc(CC(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)n1	EMOLS-id_313765068,ZINC22_1565556249	398.391	ZWHLERDOHBIOEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113045
CN1c2cnn(C)c2OC[C@H](NC(=O)c2nn(Cc3ccccc3)cc2F)C1=O	SCHEMBL19224436,BindingDB-id_704317,BindingDB_PC-id_130313929	398.391	YNFONCZHTZNDDX-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113046
O=C1Nc2cnn(c2OC[C@@H]1NC(=O)c1ncn(c1)Cc1ccc(c(c1)C)F)C	SCHEMBL19659839	398.391	VPFQLASSNOVIPG-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113047
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)Cc1ncccc1F	SCHEMBL18367252	398.394	VESPWTSRMRBPQL-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113048
COC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)nc2)sc2c1CCCCC2	EMOLS-id_50305757,ZINC22_170624177,MCULE-8555078746,PC-id_99806299	398.399	YGHLBMCNILCTCB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-113049
O=C(c1ccc(cc1)OC(F)(F)F)Nc1sc2c(c1C(=O)N)CCCCC2	SCHEMBL8288696,PC-id_60001377	398.399	IRKOLZXHMJGRAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113050
OC(=O)Cn1/c(=N/C(=O)c2cccc(c2)C(F)(F)F)/sc2c1CCCCC2	PC-id_71537302,SCHEMBL14807961	398.399	XHEJIQYGHUCQFC-XLNRJJMWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113051
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1C(F)(F)F)F	PC-id_111889541	398.401	SWZWTWJAUWLCBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113052
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1ccnc(c1)C(F)(F)F	EMOLS-id_313793330,ZINC22_1565554020	398.403	OTRVEWORERNCRT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113053
Fc1cccc(F)c1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1	EMOLS-id_20597499,CoCoCo_1414373,CoCoCo_1414372,PC-id_28101115,ZINC22_19228606,MCULE-9769627716	398.409	RCGPNGOXONSHQA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-113054
Fc1cccc(F)c1CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	EMOLS-id_232701146,MCULE-8892506437,PC-id_30852276,ZINC22_23128867	398.409	IGMGKQRBROXEPM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-113055
Fc1cccc(F)c1C(=O)NCc1nnc2CCN(Cc3cccnc3)CCn12	MCULE-6465094090,CoCoCo_1202559,ZINC22_14882181,EMOLS-id_20451661,CoCoCo_1202558,PC-id_26277960	398.409	ZVMYFYKWZJCORS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-113056
Fc1cc(CN2CCn3c(nnc3CNC(=O)c3ncccc3)CC2)ccc1F	ChEMBL-DNDi_CHEMBL54533093,PC-id_42376219	398.409	XKUIBQYFKDFEOV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-113057
Fc1cc(F)cc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c1	CoCoCo_1451953,CoCoCo_1451954,EMOLS-id_20622565,ZINC22_19758351,PC-id_28320245,MCULE-9242639584	398.409	DXIADHRXMGYPPE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-113058
Fc1cc(F)cc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)c1	CoCoCo_1208539,ZINC22_20205376,EMOLS-id_20455993,MCULE-9234200428,ChEMBL-DNDi_CHEMBL19937673,PC-id_28734509,CoCoCo_1208538	398.409	YHVFVVFWJOWRQY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-113059
OCC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)N)F)C	PC-id_139471246,SCHEMBL21337245	398.409	CZBXUBRXNSUOBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113060
c1(C(=O)N2CCn3c(CC2)nc(C(=O)N)c3)c(C)c2c(c(OC)c(cc2)OC)o1	ZINC22_1875249837,EMOLS-id_331114297,MCULE-6580439083	398.412	DULAPOJPQYWCDC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113061
c12C(CCCCn1nnn2)C(=O)NCc1c(C)oc(c2ccc(c(O)c2)OC)n1	PC-id_146039251,MCULE-2971084142,EMOLS-id_324094319	398.416	NPRXZEQIRRCWAU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113062
COc1ccc(c2nc(CNC(=O)[C@@H]3CCCCn4nnnc34)c(C)o2)cc1O	ZINC22_1857679588	398.416	NPRXZEQIRRCWAU-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113063
COc1ccc(c2nc(CNC(=O)[C@H]3CCCCn4nnnc34)c(C)o2)cc1O	ZINC22_1857679590	398.416	NPRXZEQIRRCWAU-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113064
NC(=O)CCNC(=O)Nc1cccc(NC(=O)c2cc3n(c2)CCCNC3=O)c1	ZINC22_2325862743	398.416	GORZRBVZACZUGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113065
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncc2c(n1)C1(COCC1)OC2	SCHEMBL18366970	398.416	APVRSDKARUKUQY-YTJLLHSVSA-N	00000010100000100101000000000010000000000000000000000000	31-01-113066
C[Si](C)(c1cc2-c(ccccc2)c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_135034163	398.417	YXLTWOVSESKZIW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-113067
c1(C(=O)NCCc2cc[nH]n2)cn2c(CCN(C(=O)CCn3cnnn3)CC2)n1	EMOLS-id_331145219,MCULE-2456807171,ZINC22_1875243279	398.422	ZKAZBPCXUKYXFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113068
CCOc1cc(CNCc2nnc3n2CCCCC3)ccc1OCC(F)(F)F	PC-id_119106623	398.423	QCSVDNVVWMFBIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113069
Fc1c(C2OC(C(O)C(O)C2O)CO)cccc1Cc1cc2-c(c1)ccccc2	PC-id_72423696	398.424	RJGKGYVSRJEBEK-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-113070
Fc1c(C2OC(C(O)C(O)C2O)CO)cc(Cc2cc3-c(c2)ccccc3)cc1	PC-id_72423637	398.424	PNHTZOOMMJXJGI-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-113071
Fc1c(C2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc(Cc2cc3-c(c2)ccccc3)cc1	PC-id_10475978	398.424	PNHTZOOMMJXJGI-HZQGQDIUSA-N	00000010100010110110100000000010000000000000000000000000	31-01-113072
Fc1c(cc(C2OC(C(O)C(O)C2O)CO)cc1)Cc1cc2-c(c1)ccccc2	PC-id_78156021	398.424	HQUXTEVEKMBUEH-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-113073
Fc1c(cc([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc1)Cc1cc2-c(c1)ccccc2	PC-id_71713606,BindingDB_PC-id_71713606	398.424	HQUXTEVEKMBUEH-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-113074
Fc1c([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cccc1Cc1cc2-c(c1)ccccc2	PC-id_58786212,SCHEMBL5270174	398.424	RJGKGYVSRJEBEK-IFPLKCGESA-N	00000010100010110110100000000010000000000000000000000000	31-01-113075
Fc1c([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc(Cc2cc3-c(c2)ccccc3)cc1	PC-id_58786147,SCHEMBL14590119,BindingDB_PC-id_58786147	398.424	PNHTZOOMMJXJGI-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-113076
Fc1ccc(cc1F)S(=O)(=O)N1CCCn2c(C1)c(COCC1CC1)nn2	PC-id_97413551	398.428	OIGUFAJRIQVCGE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113077
O=C(c1n(C)cc2c1OCC(NS2)C(O)(C)C)Nc1ccnc(c1)C(F)F	SCHEMBL21337320,PC-id_139471321	398.428	GQFIYMIKWZKNMS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113078
Fc1cc(C[NH+]2CCn3c(nnc3CNC(=O)c3cc(F)ccc3)CC2)ccc1	PC-id_42341442	398.429	GFNAXDQSRBVZOP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-113079
Fc1ccc(OCc2oc(C(=O)NCCc3n4CCCCCc4nn3)cc2)cc1	PC-id_55535137	398.431	SPQKSBYQCQQEOO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-113080
N#Cc1c(NC(=O)COC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCC2	EMOLS-id_45702596,ZINC22_2619971,PC-id_2081857,MCULE-8571469585	398.432	CXPLHGMRVXRCPE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113081
CN(C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)CC(=O)Nc1cc(ccc1)F	PC-id_135718330	398.434	MYTYRPFZENTZSP-MSUUIHNZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113082
Fc1ccc(c2nc(on2)CCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51304521	398.434	QUTAPACJJVPCBR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113083
Fc1cc(NC(=O)CN(CC(=O)C(=C2N3CCCCCC3=NN2)C#N)C)ccc1	PC-id_84851888	398.434	PMUVQSOMMXOMEJ-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-113084
Fc1cc(NC(=O)CN(CC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)C)ccc1	PC-id_8846657	398.434	PMUVQSOMMXOMEJ-CAPFRKAQSA-N	00000011000000110111000000000010000000000000000000000000	31-01-113085
O=C(C1CCCCc2n1c(=O)n(n2)Cc1cccc(c1)F)NCCn1cccn1	MCULE-1803535266,EMOLS-id_207869737	398.434	KMAAEGPFIMRDNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113086
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)CCCN1C(=O)c2ccccc2C1=O	PC-id_90625471	398.436	BQHWFXKJVRAXDB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113087
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c2c([nH]c1)ccc([N+](=O)[O-])c2	PC-id_56293396	398.436	HFRBVFMBLFELGN-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-113088
Cc1c(cco1)c1nnc(o1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135841285	398.439	YSJPCXWOJGNCHG-YPKPFQOOSA-N	00000000101000000101100000000010000000000000000000000000	31-01-113089
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1oc(nn1)c1c(occ1)C	PC-id_78653151	398.439	NEHIYEUTINUZTE-UHFFFAOYSA-N	00000011101000000111100000000010000000000000000000000000	31-01-113090
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1oc(nn1)c1c(occ1)C	PC-id_8282941	398.439	NEHIYEUTINUZTE-SSZFMOIBSA-N	00000011101000000111100000000010000000000000000000000000	31-01-113091
Fc1cc(Oc2ccc(cc2)CNCCc2nnc3n2CCCCC3)cc(c1)F	MCULE-7904555257,PC-id_119111946,EMOLS-id_51669215	398.449	NAHMLFAUUOFNOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113092
O=c1oc2-c(c1C#Cc1c(=O)oc3-c1cc(ccc3)C(C)C)cc(ccc2)C(C)C	PC-id_101789610	398.45	PDXQAQGADJYCAU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-113093
O=C(c1ccc2-c1ccccc2)OCCCCOC(=O)c1ccc2-c1ccccc2	PC-id_102213805	398.45	FLMATDHIEARMTB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-113094
O(C(=O)c1cc(C(c2c3-c(c(c2)C(=O)OC)ccccc3)C)c2-c1ccccc2)C	PC-id_14545171	398.45	VLFLBGMRYZPIFM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-113095
N#Cc1c(NC(=O)COC(=O)/C=Cc2cccc(c2)F)sc2c1CCCCC2	CoCoCo_2937233	398.451	TWRRRJIVAGMOCA-KTKRTIGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113096
N#Cc1c(NC(=O)COC(=O)/C=Cc2ccc(cc2)F)sc2c1CCCCC2	CoCoCo_2953715	398.451	AXMKPFDWAIRWDC-FLIBITNWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113097
N#Cc1c(NC(=O)COC(=O)C=Cc2ccc(cc2)F)sc2c1CCCCC2	EMOLS-id_43733562,MCULE-1863394432,PC-id_3933795	398.451	AXMKPFDWAIRWDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113098
N#Cc1c(NC(=O)COC(=O)C=Cc2cccc(c2)F)sc2c1CCCCC2	PC-id_4803753,MCULE-1987334676,EMOLS-id_26037032	398.451	TWRRRJIVAGMOCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113099
N#Cc1c(NC(=O)COC(=O)/C=C/c2cccc(F)c2)sc2c1CCCCC2	CoCoCo_2937232,PC-id_6213403,ZINC22_6928835	398.451	TWRRRJIVAGMOCA-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113100
N#Cc1c(NC(=O)COC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCCC2	PC-id_5962166,ZINC22_6886337,CoCoCo_2953714	398.451	AXMKPFDWAIRWDC-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113101
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1c(F)cccc1)C#N	PC-id_41975805	398.451	KEAOOIIBBFNWLW-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113102
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1c(F)cccc1)C#N	PC-id_74773393	398.451	KEAOOIIBBFNWLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113103
COc1cc(F)c(cc1OC)S(=O)(=O)NC(c1nnc2n1CCCCC2)C	PC-id_45891002,EMOLS-id_29626767,MCULE-4975115644	398.452	JWJSGTLWADUSMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113104
COc1cc(F)c(S(=O)(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1OC	PC-id_51946095,CoCoCo_4890915,ZINC22_40105090	398.452	JWJSGTLWADUSMM-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113105
COc1cc(F)c(S(=O)(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1OC	ZINC22_40105089,CoCoCo_4890916,PC-id_51946094	398.452	JWJSGTLWADUSMM-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-113106
[O-]C(=O)COc1ccc(cc1)CCNS(=O)(=O)c1cc(c2-c1ccccc2)C	GD-id_ZINC13826226	398.452	XXVPAZLWLUUUIV-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-113107
c12C(=O)N(CCCn1nc(C(=O)NCc1cccs1)c2)Cc1ccc(cc1)F	PC-id_50797927,EMOLS-id_32846210,MCULE-7751004512	398.454	JIBGDPZPZGRGLJ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-113108
c
(=N/C(=O)Cn2c(=O)ccc(c3ccccc3F)n2)/sc2c(CCCCC2)[nH]1	PC-id_52900740,ZINC22_61720223,MCULE-6015723772,EMOLS-id_46559697,STOCK7S-14661,EMOLS-id_35787747	398.454	RYGZPLGUOLJZGX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113109
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(cc3)F)n2)/sc2c(CCCCC2)[nH]1	ZINC22_61717910,EMOLS-id_46560505,PC-id_52897972,EMOLS-id_35783306,STOCK7S-11995,MCULE-2797782831	398.454	LFVAREMHTVJCEF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113110
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)ccc(=O)cc2	PC-id_19102914,SCHEMBL9335522	398.454	DZHGRCNKTSUFAY-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-113111
CCN(CC1CCCCc2n1c(=O)on2)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C	SCHEMBL6795781,PC-id_69898039	398.454	OYYPQOHELQPYIU-ABLWVSNPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113112
o1nc2n(C(CCCC2)CN(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)CC)c1=O	PC-id_59923003	398.454	OYYPQOHELQPYIU-ZGTCLIOFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113113
o1nc2n(C(CCCC2)CN(CC(NC(=O)OC(C)(C)C)C(=O)O)CC)c1=O	PC-id_23500587	398.454	OYYPQOHELQPYIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113114
O=C(CN1CCCc2sccc2C1=O)NCc1nc(c2ccc(F)cc2)c[nH]1	MCULE-5488016728,EMOLS-id_44575708,ZINC22_84419373,PC-id_71866685	398.454	KDNJKLJFLPTDHO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113115
OC(=O)c1c(Cn2c(nc3c2ccc(=O)cc3)CCC)cccc1c1ccccc1	PC-id_19822341	398.454	KXCRRAROBIJSES-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-113116
ONC(=O)[C@H]1Cc2sccc2[C@H](CN1S(=O)(=O)c1ccc(cc1)OC)O	PC-id_139966490	398.454	AFHKPOMKUJIBHR-KGLIPLIRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113117
ONC(=O)[C@H]1[C@H](O)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966473	398.454	VDPKHAXQMDJEII-HUUCEWRRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113118
s1c2CCCCCc2cc1C(=O)NNC(=O)c1nn(c2ccc(F)cc2)cc1	PC-id_46429234	398.454	SQRVZIOLOIFJFT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113119
s1c2c(CCCCC2)c(c1NC(=O)c1nn(cc1)c1cc(F)ccc1)C(=O)N	PC-id_56082152	398.454	KAGQRPMDGKFLOK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113120
s1c(CNC(=O)c2nn3CCCN(C(=O)c3c2)Cc2cc(F)ccc2)ccc1	PC-id_53029179	398.454	ZPYTWZSZKPMGQP-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-113121
S(=O)(=O)(N1C(Cc2sccc2C(O)C1)C(=O)NO)c1ccc(OC)cc1	PC-id_53639852	398.454	AFHKPOMKUJIBHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113122
S(=O)(=O)(N1C(C(O)c2c(scc2)CC1)C(=O)NO)c1ccc(OC)cc1	PC-id_20577813	398.454	VDPKHAXQMDJEII-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113123
S(=O)(=O)(N1[C@@H](Cc2sccc2[C@H](O)C1)C(=O)NO)c1ccc(OC)cc1	PC-id_53639853	398.454	AFHKPOMKUJIBHR-UONOGXRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113124
S(=O)(=O)(N1[C@H]([C@@H](O)c2c(scc2)CC1)C(=O)NO)c1ccc(OC)cc1	PC-id_54386498	398.454	VDPKHAXQMDJEII-CABCVRRESA-N	00000000100000110100000000000010000000000000000000000000	31-01-113125
S(=O)(=O)(N1[C@@H]([C@@H](O)c2c(scc2)CC1)C(=O)NO)c1ccc(OC)cc1	PC-id_54386499	398.454	VDPKHAXQMDJEII-GJZGRUSLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113126
S(=O)(=O)(N1[C@@H]([C@H](O)c2c(scc2)CC1)C(=O)NO)c1ccc(OC)cc1	PC-id_59054856	398.454	VDPKHAXQMDJEII-LSDHHAIUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113127
c12C(=O)NCC(O)Cn1nc(C(=O)NCC1(CCCC1)c1ccc(cc1)OC)c2	MCULE-1493050638,PC-id_119065562,EMOLS-id_82718575	398.456	VXHHXWXLGUQKMA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113128
c1(C(=O)N2CCOCC2)cc2n(CCCN(Cc3c(C)cc4c(OCO4)c3)C2)n1	PC-id_50960054,MCULE-7307704042,ZINC22_65396130,EMOLS-id_32390788	398.456	VIAGOVNIEYIJLU-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-113129
c1(C(=O)N2CCOCC2)cc2n(CCCN(C(=O)C(OC)c3ccccc3)C2)n1	MCULE-7647193504,EMOLS-id_32393132,PC-id_50961289	398.456	ZBQSGIRGVVFHRN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113130
c1(C(=O)N(C2CCCC2)Cc2ccccc2OC)cc2n(CC(CNC2=O)O)n1	EMOLS-id_82740949,MCULE-7873043987,PC-id_119073893	398.456	WXTRWQBHKKEQKR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113131
COc1ccc(C2(CNC(=O)c3cc4n(n3)C[C@@H](O)CNC4=O)CCCC2)cc1	ZINC22_426497427	398.456	VXHHXWXLGUQKMA-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113132
COc1ccc(C2(CNC(=O)c3cc4n(n3)C[C@H](O)CNC4=O)CCCC2)cc1	ZINC22_426497443	398.456	VXHHXWXLGUQKMA-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113133
COc1ccccc1CN(C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)C1CCCC1	ZINC22_426705933	398.456	WXTRWQBHKKEQKR-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113134
COc1ccccc1CN(C(=O)c1cc2n(n1)C[C@H](O)CNC2=O)C1CCCC1	ZINC22_426705936	398.456	WXTRWQBHKKEQKR-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113135
CO[C@H](C(=O)N1CCCn2nc(C(=O)N3CCOCC3)cc2C1)c1ccccc1	PC-id_95126025,ZINC22_65397655	398.456	ZBQSGIRGVVFHRN-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-113136
CO[C@@H](C(=O)N1CCCn2nc(C(=O)N3CCOCC3)cc2C1)c1ccccc1	ZINC22_65397656,PC-id_95126026	398.456	ZBQSGIRGVVFHRN-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113137
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)O)Cc1ccccc1	PC-id_42854012	398.456	LABRCGQSCJJHQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113138
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)O)CC)Cc1ccc(cc1)C	PC-id_46049202	398.456	AUIVQLUPDNOHIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113139
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)O)CC)Cc1cc(ccc1)C	PC-id_46049207	398.456	PMASZCHNQBBODN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113140
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)O)CC)Cc1c(cccc1)C	PC-id_46049211	398.456	DVWXROQTZWSLJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113141
c1(C(=Cc2ccc(cc2)OC(=O)c2ccc(cc2)C)C#N)nnc2CCCCCn12	PC-id_4195804,MCULE-9962424577	398.457	YZYGHHQSWMYXBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113142
Cc1ccccc1C(=O)Oc1ccc(/C=C(C#N)/c2nnc3CCCCCn23)cc1	EMOLS-id_45972702,PC-id_6116240,CoCoCo_3718746	398.457	ZZCWGUJOGPBGBF-XDJHFCHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113143
Cc1ccc(cc1)C(=O)Oc1ccc(/C=C(C#N)/c2nnc3CCCCCn23)cc1	PC-id_6033735,EMOLS-id_26445670,CoCoCo_2593226	398.457	YZYGHHQSWMYXBG-HMMYKYKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113144
Cc1c(C(=O)Oc2ccc(C=C(c3n4c(CCCCC4)nn3)C#N)cc2)cccc1	EMOLS-id_44489335,PC-id_4461787,MCULE-5806557811	398.457	ZZCWGUJOGPBGBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113145
n12CCN(CCc1nnc2Cc1ccccc1)C(=O)c1cccc(c1)c1ccco1	MCULE-6595621621,ZINC22_299756401,PC-id_118754335,EMOLS-id_68871511	398.457	DOJLSEAMNQBCEV-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-113146
N#C/C(=C/c1ccc(cc1)OC(=O)c1ccc(cc1)C)/c1nnc2n1CCCCC2	CoCoCo_2593227	398.457	YZYGHHQSWMYXBG-HKWRFOASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113147
N#C/C(=C/c1ccc(cc1)OC(=O)c1ccccc1C)/c1nnc2n1CCCCC2	CoCoCo_3718745,PC-id_75363092	398.457	ZZCWGUJOGPBGBF-CYVLTUHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113148
c1(cn2c(CCN(CC2)C(=O)c2nccn2C)n1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](O)C2	ZINC22_1875244957,MCULE-9273610721,EMOLS-id_331135001	398.459	CWSHZECTKVAKBH-FICVDOATSA-N	00000010100010000101000000000110000000000000000000000000	31-01-113149
c1(cn2c(CCN(C(=O)CCc3cnccn3)CC2)n1)C(=O)N1CCCC(O)C1	MCULE-6573996188,EMOLS-id_331118855	398.459	JHJIWHCGCNCLTQ-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-113150
CCCC1(C)OCc2c1nc(nc2)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18367016	398.459	WTSYJUDTEKFYOD-PVCZSOGJSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113151
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1cccc(c1)N1CCOC1=O	EMOLS-id_42886327,MCULE-6736998891,PC-id_72137929	398.459	WKEAUPKJTKBZGX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113152
CC[C@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1nnc2n1CCCCC2	PC-id_95763299,ZINC22_72275158	398.459	WKEAUPKJTKBZGX-INIZCTEOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113153
CC[C@@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1nnc2n1CCCCC2	PC-id_95763300,ZINC22_72275159	398.459	WKEAUPKJTKBZGX-MRXNPFEDSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113154
C[C@@H]1NC(=O)CCc2cn(CCCNC(=O)[C@H](Cc3ccccc3)NC1=O)nn2	EMOLS-id_289958236,MCULE-9706476281	398.459	YTYOTQHSGMUZLL-YOEHRIQHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113155
C[C@H](NC(=O)NCc1nnc2n1CCOCC2)c1ccc(N2CCCC2=O)cc1	ZINC22_1615588747	398.459	DGADYPCWSYLXNE-AWEZNQCLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113156
C[C@@H](NC(=O)NCc1nnc2n1CCOCC2)c1ccc(N2CCCC2=O)cc1	ZINC22_1615588750	398.459	DGADYPCWSYLXNE-CQSZACIVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113157
O=C(CCc1cnccn1)N1CCc2nc(C(=O)N3CCC[C@H](O)C3)cn2CC1	ZINC22_1875242018	398.459	JHJIWHCGCNCLTQ-INIZCTEOSA-N	00000000100010100101000000000010000000000000000000000000	31-01-113158
O=C(CCc1cnccn1)N1CCc2nc(C(=O)N3CCC[C@@H](O)C3)cn2CC1	ZINC22_1875242019	398.459	JHJIWHCGCNCLTQ-MRXNPFEDSA-N	00000000100010100101000000000010000000000000000000000000	31-01-113159
O=C(N1CCCN(CC1)C(=O)c1ccncc1)Cn1nc2n(c1=O)CCCCC2	PC-id_86991530	398.459	AOIIETFEJCEYAY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113160
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc([N+](=O)[O-])c(cc1)C	PC-id_46449511	398.459	HMAXBTNPVLPLMG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113161
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c([N+](=O)[O-])c(ccc1)C	PC-id_46691768	398.459	PNSBHXXLIZPWLZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113162
O=C(NC(c1ccc(cc1)N1CCCC1=O)C)NCc1nnc2n1CCOCC2	EMOLS-id_320317901,MCULE-4847373121	398.459	DGADYPCWSYLXNE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113163
O=C(NCc1n2CCCCCc2nn1)C1CCN(CC1)c1c([N+](=O)[O-])cccc1	PC-id_51185259	398.459	FVITWBAHRVOZEN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113164
O=C(NCc1n2CCCCCc2nn1)c1cc([N+](=O)[O-])c(N2CCCCC2)cc1	PC-id_24646573	398.459	XXJVMJNRKUVXKN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113165
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)[N+](=CC(C1=O)C#N)CC)C#N	PC-id_85507157	398.459	AYGXPUJHMCZERC-UHFFFAOYSA-O	00000000100011000101000000000010000000000000000000000000	31-01-113166
c1(C(=O)N2CCn3c(CC2)nc(Cc2ccccc2)n3)cc([nH]n1)c1ccccc1	ZINC22_2356170052,EMOLS-id_337830020,MCULE-7030064869	398.46	SHNMRIHZIOQIND-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113167
c12nnnn1CCCCC2C(=O)N1CCC(CC1)CNC(=O)c1cnc(cn1)C	MCULE-7867753426,EMOLS-id_290027729	398.462	CDHSFNNVIQLWJM-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-113168
Cc1ccc(nc1)NC(=O)C1CCCN(C1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102158887	398.462	WQGNPVRWNKSYTN-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-113169
Cc1cnc(C(=O)NCC2CCN(C(=O)[C@H]3CCCCn4nnnc34)CC2)cn1	ZINC22_952978807	398.462	CDHSFNNVIQLWJM-HNNXBMFYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-113170
Cc1cnc(C(=O)NCC2CCN(C(=O)[C@@H]3CCCCn4nnnc34)CC2)cn1	ZINC22_952978819	398.462	CDHSFNNVIQLWJM-OAHLLOKOSA-N	00000000100010100101000000000010000000000000000000000000	31-01-113171
CC(C)N(C)Cc1ncn2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CCC2	PC-id_97519357,ZINC22_96259273,EMOLS-id_44370092	398.471	HUXOVJWFLSPOGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113172
CN(C(C)C)Cc1ncn2c1CN(CCC2)S(=O)(=O)c1ccc(c(c1)F)F	PC-id_97405448	398.471	YAMCAMOWAQZGNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113173
S=c1n2CCCCCc2nn1CN(Cc1cc(OC)c(OC(F)F)cc1)C	PC-id_27082460	398.471	RDKOGGJYOSZBTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113174
s1c2CCCCCc2cc1C(=O)NNC(=O)c1oc2c(c1COC)cccc2	PC-id_55376446	398.475	HAGPVYGZNLACOB-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-113194
c12CN(CCCn1nc(CCC(=O)NC1CC1)c2)C(=O)CCc1ccccc1F	EMOLS-id_46032691,MCULE-8151222189,PC-id_72848114,ZINC22_91306106	398.474	BNAWMTJQOLSQTB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113175
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCCC1)c2)Cc1ccc(cc1)F	EMOLS-id_16324698,MCULE-3259603621,PC-id_20964743,CoCoCo_2544573	398.474	FUPUMOYNTXBGJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113176
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCCC1)c2)Cc1cccc(F)c1	MCULE-9875556248,EMOLS-id_32632920,PC-id_53029177	398.474	IRMDAYBFZCXAIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113177
C[C@H]1CC[C@@H](CC1)C(=O)N1CCCn2ncc(C(=O)Nc3cccc(F)c3)c2C1	ZINC22_1565555940,EMOLS-id_313764556	398.474	JUZRRUHOHVMRTF-WKILWMFISA-N	00000000100010110101000000000010000000000000000000000000	31-01-113178
CCNCCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(O)Nc2c1cc(F)cc2	PC-id_145511577	398.474	OAACVCWAVWRZNR-VBKFSLOCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-113179
CC(NC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)C)F)C	SCHEMBL19702783	398.474	GAHJXWPQFRWHGB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-113180
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)ccn2C	PC-id_10644565,SCHEMBL6619452	398.474	NRYLFPZJDUZNJY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113181
Fc1ccccc1N1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)ccn2C	PC-id_10810887,SCHEMBL6774089	398.474	VQTHIULLXYMMGS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113182
Fc1cccc(c1)N1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)ccn2C	SCHEMBL6770823,PC-id_10810888	398.474	JLUJQICEYCDJTE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113183
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)cn(c2)C	PC-id_10739637,SCHEMBL6779347	398.474	CFLKMDDBMWMKRV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113184
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)n(C)cc2	PC-id_11795155,SCHEMBL6995879	398.474	KIVUQUXHGJRSEK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113185
Fc1ccc(N2CCN(CC2)CCCN2CC=Cc3n(cc(O)c3C2=O)C)cc1	PC-id_9822203	398.474	OZPRXGWVCCCGIL-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-113186
c1(NC(=O)C=Cc2ccc3c(OCO3)c2)sc2c(CCCCCC2)c1C(=O)N	MCULE-9397249808,PC-id_1220057	398.475	MVXZBEFKBQMIPH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113187
C=CC(=O)N(C)c1ccc(C(=O)N2CCCc3sc(C(=O)OC)cc3C2)cc1	ZINC22_1875373526	398.475	DPJBROARILPBOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113188
COc1ccc2c(c1)occ2CC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	MCULE-9063997685,EMOLS-id_257846000,PC-id_16340986	398.475	JPBHJEWGFXNJMQ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-113189
COCc1c(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)oc2ccccc12	EMOLS-id_44513015,PC-id_55334314,MCULE-5906892802,ZINC22_69161317	398.475	QTRFPVIYPWDMNT-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-113190
NC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCCCC2	CoCoCo_683967,ZINC22_995023,EMOLS-id_2368808,PC-id_1220058,TIMTEC321192	398.475	MVXZBEFKBQMIPH-CSKARUKUSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113191
O=C(Nc1sc2c(c1C(=O)N)CCCCCC2)/C=Cc1ccc2c(c1)OCO2	CoCoCo_683968	398.475	MVXZBEFKBQMIPH-NTMALXAHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113192
s1c2CCCCCc2cc1C(=O)NNC(=O)c1oc2c(c1C)cc(OC)cc2	PC-id_55376426	398.475	KOULRWUOOPXBLD-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-113193
s1c2CCCCCc2cc1C(=O)OC(c1oc(nn1)c1ccc(OC)cc1)C	PC-id_85001896	398.475	NXTUTVPAGRSGQM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113195
s1c2CCCCCc2cc1C(=O)O[C@H](c1oc(nn1)c1ccc(OC)cc1)C	PC-id_9403152	398.475	NXTUTVPAGRSGQM-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113196
s1c2CCCCCc2cc1C(=O)O[C@@H](c1oc(nn1)c1ccc(OC)cc1)C	PC-id_9403157	398.475	NXTUTVPAGRSGQM-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113197
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1)cccc2OCC)C(=O)N	PC-id_40888797	398.475	GWWTVLCUHNZCEK-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-113198
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1C)cc(OC)cc2)C(=O)N	PC-id_55334212	398.475	NLRDWHAXQKDCNW-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-113199
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccccc1)C(=O)NC(=O)OC	PC-id_7521873	398.475	FBUPVZTXNBCYHO-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113200
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccccc1)C(=O)NC(=O)OC	PC-id_78495728	398.475	FBUPVZTXNBCYHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113201
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1ccc(cc1)CO)C)C#N	PC-id_8737299	398.475	SKFNGFYZNMRZIZ-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113202
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1ccc(cc1)CO)C)C#N	PC-id_8737301	398.475	SKFNGFYZNMRZIZ-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113203
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1cc(ccc1O)C)C)C#N	PC-id_8970375	398.475	OLDTZXCJOHNQHZ-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113204
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1cc(ccc1O)C)C)C#N	PC-id_8970383	398.475	OLDTZXCJOHNQHZ-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113205
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1c(O)cc(cc1)C)C)C#N	PC-id_8550035	398.475	MASXNXMECBNUTK-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113206
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1c(O)cc(cc1)C)C)C#N	PC-id_8550045	398.475	MASXNXMECBNUTK-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113207
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)Cc1ccc(O)cc1)C)C#N	PC-id_9061464	398.475	CYKHEKNPTZFFHA-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113208
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)Cc1ccc(O)cc1)C)C#N	PC-id_9061465	398.475	CYKHEKNPTZFFHA-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113209
s1c2CCCCCc2c(c1NC(=O)COc1ccc(cc1)C(=O)OCC)C#N	PC-id_45724090	398.475	LWNZFVYFBVWGHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113210
s1c2CCCCCc2c(c1NC(=O)COc1c(OC)cc(cc1)C(=O)C)C#N	PC-id_26054521	398.475	ZVNVRBOMRKOGPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113211
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(cc1)COC)C#N	PC-id_30801113	398.475	BZOWRCNWTFULTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113212
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1ccc(cc1)CO)C)C#N	PC-id_84825688	398.475	SKFNGFYZNMRZIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113213
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(ccc1O)C)C)C#N	PC-id_84885738	398.475	OLDTZXCJOHNQHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113214
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(OCC)cc1)C#N	PC-id_35686634	398.475	MPERQGHEJIGXFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113215
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(O)c(cc1)C)C)C#N	PC-id_55459760	398.475	GMNKXDXAJQYCBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113216
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(OC)c(cc1)C)C#N	PC-id_27985487	398.475	DEPSEBGUAROZHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113217
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(O)c(ccc1)C)C)C#N	PC-id_55416990	398.475	BXANMFQVTQYHQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113218
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(O)cc(cc1)C)C)C#N	PC-id_55420792	398.475	MASXNXMECBNUTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113219
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(OC)cccc1)C)C#N	PC-id_55417893	398.475	CZBREBBMNZWFPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113220
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(OCC)cccc1)C#N	PC-id_45686472	398.475	KVPLIZQOGXORGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113221
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cc1ccc(O)cc1)C)C#N	PC-id_84919083	398.475	CYKHEKNPTZFFHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113222
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1ccc(OC)cc1)C#N	PC-id_41627612	398.475	FWAAENYLUYMIJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113223
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1c(OC)cccc1)C#N	PC-id_35965030	398.475	RJNKOBDXKWOXPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113224
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCOc1ccccc1)C#N	PC-id_35687738	398.475	LHHZGAPTTVNBHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113225
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1c(cccc1)C)C#N	PC-id_35687152	398.475	JVTBQXLAGQBNDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113226
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1cc(ccc1)C)C#N	PC-id_41466447	398.475	PDDGZVSPFBVWPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113227
s1c2CCCCCCc2cc1C(=O)NNC(=O)C=Cc1cc2OCOc2cc1	PC-id_85009913	398.475	MEQJIWYJGZUGJK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113228
s1c2CCCCCCc2cc1C(=O)NNC(=O)/C=C/c1cc2OCOc2cc1	PC-id_9441673	398.475	MEQJIWYJGZUGJK-CSKARUKUSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113229
s1c2c(CCCCC2)c(c1NC(=O)CSc1[n+]([nH]oc1=O)C)C(=O)OC	PC-id_53292228	398.477	SKWCGPPPVRRCLY-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-113230
c1(NC(=O)c2ccnn2C)sc2c(CCCCC2)c1C(=O)NCc1ccco1	MCULE-3809748396,CoCoCo_6453716,EMOLS-id_7891241,ZINC22_20441486,PC-id_17144180	398.479	PKIDGRFNJANMAE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-113231
c1(sc2c(CCCCC2)n1)NC(=O)c1[nH]nc(c2ccc(c(OC)c2)OC)c1	MCULE-1561930308,EMOLS-id_323226579	398.479	JPIHDPYNZSHSPE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113232
Cc1c(cc(cc1)N1CC(CC1=O)C(=O)Nc1nc2c(s1)C(=O)NCCC2)C	PC-id_90625425	398.479	BJRWQJGINDLGLR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113233
Cc1csc(n1)NC(=O)c1nc2c(o1)CCN(CC2)Cc1cc(ccc1)OC	PC-id_134805188	398.479	XQPHNLUYKBNQPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113234
Cc1csc(n1)NC(=O)c1nc2c(o1)CCN(CC2)Cc1ccccc1OC	PC-id_134809281	398.479	DWJFZYXVAJCEIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113235
Cc1nc(c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCCc2occc2C1	ZINC22_365654551,EMOLS-id_316210950,MCULE-1495021516	398.479	RJFNGFUGGJYJBK-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-113236
Cc1nc(COc2ccc(C(=O)Nc3nc4c(s3)CCCCCC4)cc2)no1	EMOLS-id_35734385,MCULE-9930891986,PC-id_53508447,ZINC22_65488455	398.479	XJHMYKBDMSVBKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113237
Cc1sc(=O)n(CC(=O)N2CCCn3nc(CO)cc3C2)c1c1ccccc1	ZINC22_1875297060	398.479	AWICYLUMNMKEMH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113238
n12CCN(CCc1nn(Cc1ccccc1)c2=O)S(=O)(=O)Cc1ccccc1	EMOLS-id_49731359,MCULE-3769618286,PC-id_91910708	398.479	WDNCTDAOKTXDMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113239
N1C(=O)CC(Sc2ccccc2C(=O)NCc2c3CCCCCc3[nH]n2)C1=O	MCULE-8669663233,EMOLS-id_232882184	398.479	ZLMQGKVCNAGHDM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113240
O=C1C[C@H](Sc2ccccc2C(=O)NCc2n[nH]c3c2CCCCC3)C(=O)N1	ZINC22_828241505	398.479	ZLMQGKVCNAGHDM-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113241
O=C1C[C@@H](Sc2ccccc2C(=O)NCc2n[nH]c3c2CCCCC3)C(=O)N1	ZINC22_828241508	398.479	ZLMQGKVCNAGHDM-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113242
O=C1NC(=O)C(N1)(C)c1cccc(c1)C(=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_100617860	398.479	HATXEOGCIHWMRX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113243
O=C(c1ccc(cc1)CN1C(=O)CNC1=O)Nc1sc2c(n1)CCCCCC2	EMOLS-id_98559871	398.479	JQSKLWDOUPSBNQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113244
O=C(N1CC[NH+](CC1)Cc1n2CCCCCc2nn1)c1ccc(cc1)C(=O)OC	PC-id_40810321	398.479	SIDMEPKNRMNPDK-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-113245
O=C(Nc1nc2c(s1)CCCCCC2)c1ccccc1CN1C(=O)CNC1=O	ZINC22_55375264,EMOLS-id_35734375,MCULE-9556647563,PC-id_53508518	398.479	CFPPSLHCOAXXBX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113246
O=C(N(CCN1C(=O)c2c(C1=O)cccc2)C)Nc1nc2c(s1)CCCCC2	EMOLS-id_97908970	398.479	KARRZDYGSYFZLA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113247
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1c2c(n(c1=O)C)cccc2	PC-id_24607690	398.479	CYNLXKGQNMQZMT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113248
s1c2c(CCCCC2)c(c1NC(=O)c1cc2c(n(nc2C)C)nc1)C(=O)OC	PC-id_78883129	398.479	HEDUFTVABFYSLI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113249
s1c2CCCCCCc2cc1C(=O)NCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1	PC-id_45780085	398.479	TXMHLBXTJZLRQC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113250
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c2c(onc2C)nc(c1)C	PC-id_24588166	398.479	HOFLCWLFDIGMCE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113251
Cc1cc(C)n(n1)c1ccc(=O)n(CC(=O)Nc2nc3CCCCCc3s2)n1	EMOLS-id_323469939,MCULE-2228277766	398.482	UMWBEOOQRQPDRX-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-113252
Cn1cnnc1SCC(=O)N1CCCn2c(cc(n2)C(c2ccccc2)O)C1	PC-id_91759937	398.482	SOYDMSBLGWHKMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113253
O=C(N1CCCn2c(C1)cc(n2)[C@H](c1ccccc1)O)CSc1nncn1C	PC-id_100001706	398.482	SOYDMSBLGWHKMT-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113254
O=C(N1CCCn2c(C1)cc(n2)[C@@H](c1ccccc1)O)CSc1nncn1C	PC-id_100001710	398.482	SOYDMSBLGWHKMT-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113255
s1c2CCCCCc2nc1NC(=O)c1c(n(nc1)c1nnc(OC)cc1)CC	PC-id_32065462	398.482	IMPJWBXJJPUMGR-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-113256
COc1ccccc1Nc1nc(N)nc(CSc2nnc3n2CCCCC3)n1	CoCoCo_4311461,EMOLS-id_13425237,ZINC22_9336922,PC-id_16391718,MCULE-8138523682	398.485	SPDUOXNTCWCQSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113257
C/C/1=C/c2cc(c(o2)C[C@H](CCC(=C[CH+]C1)C(=O)[O-])C(=C)C)C(=O)OC(C)(C)C	PC-id_135404781	398.492	DONPHVCZPAUTDB-BYBMWLGFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-113258
C/C/1=Cc2cc(c(o2)C[C@H](CCC(=C[CH+]C1)C(=O)[O-])C(=C)C)C(=O)OC(C)(C)C	PC-id_135911903	398.492	DONPHVCZPAUTDB-JTLJFWJRSA-N	00000000100000000110000000000010000000000000000000000000	31-01-113259
CC(=C)[C@@H]1CC[C+](C=C[C@@H](c2cc(c(C1)o2)C(=O)OC(C)(C)C)C(=C)C)C(=O)[O-]	PC-id_135497307	398.492	PZBKPPWMMBCOBO-QZTJIDSGSA-N	00000000100000000110000000000010000000000000000000000000	31-01-113260
o1c2CC(CCC(=C=CC(c1cc2C(=O)OC(C)(C)C)C(=C)C)C(=O)O)C(=C)C	PC-id_85283552	398.492	QFCGOWXTLFMNGS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-113261
o1c2CC(CCC(=C=CCC(=Cc1cc2C(=O)OC(C)(C)C)C)C(=O)O)C(=C)C	PC-id_74822581	398.492	YNRFNSSEFBUGOO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-113262
o1c2C[C@H](CCC(=C=CC/C(=C/c1cc2C(=O)OC(C)(C)C)/C)C(=O)O)C(=C)C	PC-id_10916325	398.492	YNRFNSSEFBUGOO-UAYLNJPVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-113263
o1c2C[C@@H](CCC(=C=C[C@@H](c1cc2C(=O)OC(C)(C)C)C(=C)C)C(=O)O)C(=C)C	PC-id_10834695	398.492	QFCGOWXTLFMNGS-KLBQLKCMSA-N	00000000100000000110000000000010000000000000000000000000	31-01-113264
C1C(COc2cscc2O1)(Cc1ccccc1)COCCCS(=O)(=O)O	PC-id_87812996	398.494	LPEUSDQPUPUULR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113265
CNC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](CC(=O)O)CCc1ccc2-c1ccccc2	SCHEMBL8486656,PC-id_18395271	398.495	XAQMZBAUFOFVMQ-YLJYHZDGSA-N	00000010100000000110000000000010000000000000000000000000	31-01-113266
O=C(C(c1ccc2-c1ccccc2)(c1ccccc1)c1ccccc1)c1ccccc1	PC-id_122207102	398.495	VZGDJCQHSKOSEG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-113267
O=C(NC(C(C)(C)C)C(=O)NC)C(CCc1c2-c(cc1)ccccc2)CC(=O)O	PC-id_19606556	398.495	XAQMZBAUFOFVMQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-113268
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1c1cccc(F)c1	ZINC22_6098466,CoCoCo_3082290,EMOLS-id_43775532,PC-id_7877637,MCULE-2963865983	398.497	LPAFEDGHYKVWDH-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-113269
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1c1ccc(F)cc1	PC-id_7876887,CoCoCo_3081650,ZINC22_6097439,MCULE-1159683077,EMOLS-id_11760001	398.497	OJINENXCXMCXDO-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-113270
Cc1cc(nn1CC(=O)N1CCc2c(CC1)sc(n2)C)c1cc(c(cc1)F)C	PC-id_89607812,SCHEMBL15001883	398.497	MEYOSLAGPRBCDA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113271
CCc1cc(nn1CC(=O)N1CCc2c(CC1)ncs2)c1ccc(c(c1)C)F	PC-id_89607825,SCHEMBL15001898	398.497	BTYKOCMIGKKSFM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113272
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(cc1)F	PC-id_89607881,SCHEMBL15001964	398.497	LSRASGXTKJCSLN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113273
Fc1ccc(cc1)n1c(C)cc(c1C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3081651,CoCoCo_3081654	398.497	JPICEAGBALJQGN-UYRXBGFRSA-N	00000000110000110101100000000010000000000000000000000000	31-01-113274
Fc1ccc(cc1)n1c(C)cc(c1C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3081652,CoCoCo_3081653	398.497	JPICEAGBALJQGN-CPNJWEJPSA-N	00000000110000110101100000000010000000000000000000000000	31-01-113275
Fc1cccc(c1)n1c(C)cc(c1C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3082293,CoCoCo_3082292	398.497	KHQKUWCUBHLLFJ-CPNJWEJPSA-N	00000000110000110101100000000010000000000000000000000000	31-01-113276
Fc1cccc(c1)n1c(C)cc(c1C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3082294,CoCoCo_3082291	398.497	KHQKUWCUBHLLFJ-UYRXBGFRSA-N	00000000110000110101100000000010000000000000000000000000	31-01-113277
Fc1ccc(C(=O)NCCc2n3CC[NH+](CC4CCC=CC4)CCc3nn2)cc1	PC-id_74843431	398.497	WTHHUTIYDLNHIT-UHFFFAOYSA-O	00000000100011110101000000000010000000000000000000000000	31-01-113278
Fc1ccc(C(=O)NCCc2n3CC[NH+](C[C@@H]4CCC=CC4)CCc3nn2)cc1	PC-id_42325201	398.497	WTHHUTIYDLNHIT-KRWDZBQOSA-O	00000000100011110101000000000010000000000000000000000000	31-01-113279
Fc1ccc(C(=O)NCCc2n3CC[NH+](C[C@H]4CCC=CC4)CCc3nn2)cc1	PC-id_42325212	398.497	WTHHUTIYDLNHIT-QGZVFWFLSA-O	00000000100011110101000000000010000000000000000000000000	31-01-113280
S(c1n2CCCCCc2nn1)CC(=O)c1c(n(c(c1)C)c1c(F)cccc1)C	PC-id_7877037	398.497	GZLPFOASYRNYPA-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-113281
c12CN(CCCn1nc(C)c2)CC1(CCCN(Cc2cccc(OC)c2)C1=O)O	MCULE-6252423582,EMOLS-id_36448659,PC-id_56714234	398.499	WEPBPEBZVDQFDO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113282
c12C(=O)N(CCCn1nc(C(=O)NCCCOC(C)C)c2)Cc1cccc(C)c1	PC-id_53086385,EMOLS-id_32633176,MCULE-5140335162	398.499	UKESMHHOJAULPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113283
C1COCCC1CN1CCc2ncc(n2CC1)C(=O)NCCOc1ccccc1	PC-id_134806189	398.499	LGTQDVLYWGWKMK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113284
c1(C(=O)N2CCCC2)cc2n(CCCN(C(C)Cc3ccc(c(OC)c3)O)C2)n1	PC-id_50976813,EMOLS-id_32422362,MCULE-1627872744	398.499	SZFYILILUKAVRK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113285
c1(C(=O)Nc2cccc(OCCN3CCOCC3)c2)c2CCCCCCc2[nH]n1	PC-id_46970639,CoCoCo_495166,ZINC22_19330952,SYN-20033179,MCULE-6503922781,EMOLS-id_30437633,CoCoCo_495165	398.499	ZNKJSBUYPOCIGC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113286
c1(C(=O)NCCC2CCOC2)cn2c(CCN(Cc3cccc(OC)c3)CC2)n1	EMOLS-id_336519861,MCULE-9747187393	398.499	PDDXDSOLTQGYAL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113287
C=CCc1cc(CNC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc(OC)c1OC	MCULE-2317247368,EMOLS-id_316877803,ZINC22_663178993	398.499	RBAGKLCSRROCFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113288
COc1ccccc1CCC(=O)N(C)C1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-7998076731,PC-id_91922727,EMOLS-id_50586231	398.499	AVSDFHLBYGJJAY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113289
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCCN2CCCN1CCOCC1	SCHEMBL16242992,PC-id_117701803	398.499	AELZAVJDMCTCOP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113290
COc1ccc(c(c1)OC)CN(C(=O)C1CCn2c(CC1)nnc2)C(C1CC1)C	EMOLS-id_316735200	398.499	SSBAPJXGHIUZFV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113291
COc1cccc(CCC(=O)N(C)C2CCc3nn(CC4CC4)c(=O)n3CC2)c1	EMOLS-id_50586801,MCULE-9706922839,PC-id_91910881	398.499	LMEPGOGQQOHZOY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113292
COc1cccc(CN2CCc3nc(C(=O)NCC[C@H]4CCOC4)cn3CC2)c1	ZINC22_1940197419	398.499	PDDXDSOLTQGYAL-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113293
COc1cccc(CN2CCc3nc(C(=O)NCC[C@@H]4CCOC4)cn3CC2)c1	ZINC22_1940197420	398.499	PDDXDSOLTQGYAL-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113294
COc1cccc(CN2CCC[C@@](O)(CN3CCCn4nc(C)cc4C3)C2=O)c1	ZINC22_67742435	398.499	WEPBPEBZVDQFDO-JOCHJYFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113295
COc1cccc(CN2CCC[C@](O)(CN3CCCn4nc(C)cc4C3)C2=O)c1	ZINC22_67742437	398.499	WEPBPEBZVDQFDO-QFIPXVFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113296
COc1cc(C[C@H](C)N2CCCn3nc(C(=O)N4CCCC4)cc3C2)ccc1O	ZINC22_65469781,PC-id_95138150	398.499	SZFYILILUKAVRK-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113297
COc1cc(C[C@@H](C)N2CCCn3nc(C(=O)N4CCCC4)cc3C2)ccc1O	ZINC22_65469784,PC-id_95138151	398.499	SZFYILILUKAVRK-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113298
O1CCN(Cc2cc(CN3CCCn4nc(cc4C3)CCC(=O)O)ccc2)CC1	MCULE-7867800958,EMOLS-id_43148834,PC-id_56906384	398.499	ZMFZGZNQIONLLA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113299
Oc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)O	PC-id_10739651,SCHEMBL6772803	398.499	XNBZNAJBTZYJQT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113300
Oc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)cn(c2)C)O	SCHEMBL6775290,PC-id_22738002	398.499	NHTMCJBFOVCSMA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113301
O=C1N(c2c([nH]c(c2)C(=O)O)[C@H](N[C@H]1CCCCN)C(C)C)Cc1ccccc1	PC-id_53342813	398.499	ADPQSXIXDQOALK-QFBILLFUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113302
O=C1N(c2c([nH]c(c2)C(=O)O)C(NC1CCCCN)C(C)C)Cc1ccccc1	PC-id_76016852	398.499	ADPQSXIXDQOALK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113303
O=C1N(CCCn2nc(cc12)C(=O)NCCCOC(C)C)Cc1ccc(cc1)C	PC-id_46347981	398.499	MNGFHBPSVWHCAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113304
O=C(c1n[nH]c2c1CCCCCC2)Nc1ccc(cc1)OCCN1CCOCC1	PC-id_110089361,BDD-25323802,ZINC22_257212824	398.499	CFCMSEAEZNKITH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113305
O(C(C)C)c1c(OC)cc(/C=C/C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_51307476	398.499	KDSKZKGRORJLRU-PKNBQFBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113306
O(C(C)C)c1c(OC)cc(C=CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_75625040	398.499	KDSKZKGRORJLRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113307
O=C(Cn1nc2c(c1)C(=O)NCC(C2)(C)C)NCCc1ccc(cc1)OC(C)C	EMOLS-id_318018300	398.499	SPDVWJIKGSWFQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113308
O=C(Cn1nc2n(c1=O)CCCCC2)N1CCC(CCc2ccc(O)cc2)CC1	PC-id_25605781,MCULE-2112936163,ZINC22_12920949,EMOLS-id_24111539,CoCoCo_4758552	398.499	GDTFMFOLNKHDOM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113309
O=C(Cn1nc2n(c1=O)CCCCC2)NCc1cccc(c1)OC1CCCCC1	PC-id_86941956	398.499	RQWQYCWYIKZQQK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113310
O=C(Cn1nc2n(c1=O)CCCCC2)NCC1(CCOCC1)c1ccccc1C	PC-id_86833758	398.499	VYMDJNZKOUGVLA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113311
O=C(NCCc1n2CCCCCc2nn1)CCC(=O)c1ccc(OCCC)cc1	PC-id_55536094	398.499	PBVLMAPKDHOIFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113312
O=C(NCCc1nnc2n1CCCCC2)c1ccccc1COC1CCOCC1	ZINC22_134528795,EMOLS-id_53766774,PC-id_99636208,MCULE-1987743172	398.499	WHRDEXIBQZGINJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113313
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](Cc1cc2OCOc2cc1)C)C#N	PC-id_28228307	398.499	JZKGKHMXLKURTA-UHFFFAOYSA-O	00000010100000100101000000001010000000000000000000000000	31-01-113314
Cc1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)c(nc2)CNS(=O)(=O)C	PC-id_97405497	398.5	WUQKERHEPZSLGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113315
Cc1cccc(c1)S(=O)(=O)N1CCCn2cnc(CNS(=O)(=O)C)c2C1	ZINC22_96259436,EMOLS-id_44370426,PC-id_97519520	398.5	ZELARFGNDSTIKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113316
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(C)C	EMOLS-id_101945946	398.5	RYEKYKWZQKZCAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113317
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1cccc(c1)S(=O)(=O)N(C)C	EMOLS-id_101946048	398.5	RVWUIUJRMLEVOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113318
Cn1ncc2c1CCCN(C2)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C	EMOLS-id_101950821	398.5	WXUWIFPZWVZZQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113319
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(cc3)NC(=O)C)CCn12	EMOLS-id_20486619,PC-id_45190468,MCULE-6434051882	398.502	URKDKTVJKHCRKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113320
Cc1ccccc1CN1CCC(NC(=O)NCc2nnc3n2CCOCC3)CC1	EMOLS-id_320315085,ZINC22_1615589007,MCULE-6208208831	398.502	FOIVHBATQJAKHU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113321
Cc1csc(c1)C(=O)N1CCc2nc(sc2CC1)C(=O)Nc1ccncc1	EMOLS-id_313792827,ZINC22_1565553911	398.502	GYSWKXVUOHJBPT-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-113322
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1cccc(c1)NC(=O)C(C)C	EMOLS-id_43405147,PC-id_72104331,MCULE-6634600582	398.502	PIFAXOUWFPSGHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113323
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccc(nc1)OC1CCCC1	EMOLS-id_101053900	398.502	ZLWDIECSSDVRQR-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-113324
CCC(C)CC(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	EMOLS-id_232714124,MCULE-4230270249,PC-id_45181813	398.502	KYNYKNAWVUMXSR-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113325
CC(CCC(=O)N1CCc2n(CC1)c(nn2)CNC(=O)CCc1cccnc1)C	ChEMBL-DNDi_CHEMBL16170675	398.502	CZVPURZKMNGDHB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113326
CC([C@H](c1nnc2n1CCN(CC2)Cc1ccccn1)NC(=O)[C@@H]1COCC1)C	CoCoCo_1252334,CoCoCo_1252335	398.502	WCNUODJQKYFKCI-QFBILLFUSA-N	00000010100000101101000000000010000000000000000000000000	31-01-113327
CC([C@H](c1nnc2n1CCN(CC2)Cc1ccccn1)NC(=O)[C@H]1COCC1)C	CoCoCo_1252336,CoCoCo_1252337	398.502	WCNUODJQKYFKCI-VQIMIIECSA-N	00000010100000101101000000000010000000000000000000000000	31-01-113328
CC([C@@H](c1nnc2n1CCN(CC2)Cc1ccccn1)NC(=O)[C@@H]1COCC1)C	CoCoCo_1252338,CoCoCo_1252339	398.502	WCNUODJQKYFKCI-LPHOPBHVSA-N	00000010100000101101000000000010000000000000000000000000	31-01-113329
CC([C@@H](c1nnc2n1CCN(CC2)Cc1ccccn1)NC(=O)[C@H]1COCC1)C	CoCoCo_1252340,CoCoCo_1252341	398.502	WCNUODJQKYFKCI-APWZRJJASA-N	00000010100000101101000000000010000000000000000000000000	31-01-113330
CC[C@H](C)CC(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	CoCoCo_1199403,ZINC22_14881411	398.502	KYNYKNAWVUMXSR-INIZCTEOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113331
CC[C@@H](C)CC(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	CoCoCo_1199404,ZINC22_14881410	398.502	KYNYKNAWVUMXSR-MRXNPFEDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113332
CC[C@H](NC(=O)Nc1cccc(NC(=O)C(C)C)c1)c1nnc2n1CCCCC2	ZINC22_79019545,PC-id_96529197	398.502	PIFAXOUWFPSGHN-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113333
CC[C@@H](NC(=O)Nc1cccc(NC(=O)C(C)C)c1)c1nnc2n1CCCCC2	ZINC22_79019550,PC-id_96529198	398.502	PIFAXOUWFPSGHN-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113334
CCC(=O)Nc1ccc(c(c1)NC(=O)NC(c1nnc2n1CCCCC2)CC)C	EMOLS-id_42926933,MCULE-6162361619,PC-id_72104318	398.502	PGHVWKJVXXRVIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113335
CCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](CC)c2nnc3n2CCCCC3)c1	PC-id_95789302,ZINC22_72314301	398.502	PGHVWKJVXXRVIY-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113336
CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](CC)c2nnc3n2CCCCC3)c1	PC-id_95789303,ZINC22_72314302	398.502	PGHVWKJVXXRVIY-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113337
CCN(Cc1nccc(c1)OC1CCN(C1)C(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_320334417,MCULE-1157320523	398.502	IKMKOIZCGCDCDT-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-113338
CCNC(=NCc1ccc2c(c1)OCO2)NCCCc1nnc2n1CCCCC2	PC-id_111845451	398.502	DZMSNBQGVWGVNQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113339
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc2c(c1)OCO2	PC-id_111380079	398.502	IKJWMFOHVRKSTM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113340
CC(=O)Nc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1	CoCoCo_1252164,CoCoCo_1252165,ZINC22_11977329	398.502	URKDKTVJKHCRKM-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113341
CC(=O)Nc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1	CoCoCo_1252166,CoCoCo_1252167,ZINC22_11977322	398.502	URKDKTVJKHCRKM-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113342
CN1CCN(CC1)CCOc1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319254166	398.502	DWXSBFJLZNWRPK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113343
CN=C(N(Cc1ccc2c(c1)OCO2)C)NCCCc1nnc2n1CCCCC2	PC-id_111367919	398.502	YEPKZESXPAXNDZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113344
CN=C(NCCc1ccc2c(c1)OCO2)NCCCc1nnc2n1CCCCC2	PC-id_111380952	398.502	KTECGFKXZPREKL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113345
COC1CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ncccn1	SCHEMBL6775569,PC-id_22738061	398.502	ATYINUAIDXJGJK-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-113346
O1CC(CC1)C(=O)NC(c1n2CCN(CCc2nn1)Cc1ncccc1)C(C)C	PC-id_45190497	398.502	WCNUODJQKYFKCI-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-113347
O=C(c1ccc(nc1)OC1CCN(CC1)Cc1nnc2n1CCCCC2)N(C)C	MCULE-2572690298,EMOLS-id_320114855	398.502	RLAWHYSNFLYHMJ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-113348
O=C(C1CCn2c(CC1)nnc2)N(Cc1ccncc1)CCCN1CCOCC1	EMOLS-id_319997245,MCULE-1854362144	398.502	QTORFIWMGXQSPT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-113349
O=C(CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1)NCCN1CCCC1	EMOLS-id_207877251,MCULE-9433752219	398.502	MTDSEIBSHFEWJT-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-113350
O=C(N1Cc2cnn(c2CC(C1)(C)C)C)Nc1cccc(n1)CN1CCOCC1	EMOLS-id_316530056	398.502	WJNSHWFXHDGIHU-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-113351
O=C(NCCc1n2CCCCCc2nn1)Nc1ccc(C(=O)NCC(C)C)cc1	PC-id_60487426	398.502	RPCHXECLNIJACC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113352
O=C(NCCc1n2CCCCCc2nn1)Nc1ccc(C(=O)NC(CC)C)cc1	PC-id_60569750	398.502	YTJQAQDJKXJPRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113353
O=C(NCCc1n2CCCCCc2nn1)NC(c1ccc(NC(=O)CC)cc1)C	PC-id_55683663	398.502	SOYFUXOILBSBGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113354
O=C(NCCc1n2CCCCCc2nn1)NCC(=O)Nc1c(cc(cc1C)C)C	PC-id_52220581	398.502	QOVGKUOCRCBCKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113355
O=C(NC(C)(C)C)c1cc(NC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_60485402	398.502	IPFNGCCLWBNYKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113356
c1ccc(cc1)CCc1nnc2n1CCN(CC2)Cc1c[nH]nc1c1ccccc1	CoCoCo_1160495,CoCoCo_1160497,CoCoCo_1160494,PC-id_28312227,CoCoCo_1160496	398.503	RMUNWNGNOWKERX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113357
c1ccc(CCc2nnc3n2CCN(Cc2cccn2c2ccccn2)CC3)cc1	ZINC22_11967849,ChEMBL-DNDi_CHEMBL10650614,PC-id_42320696,MCULE-9532739064,CoCoCo_1122093,CoCoCo_1122094,EMOLS-id_20392714	398.503	XOAHNPPIWXGDFD-UHFFFAOYSA-N	00000000110000111101100000000010000000000000000000000000	31-01-113358
c1ccc(CCc2nnc3n2CCN(Cc2cccn2c2cccnc2)CC3)cc1	MCULE-9228864544,ZINC22_12047862,EMOLS-id_232753215,PC-id_42375965	398.503	LHVYBRSHWLYERH-UHFFFAOYSA-N	00000000110000111101100000000010000000000000000000000000	31-01-113359
Cc1cc(N2CCC(NC(=O)NCc3nnc4n3CCCCC4)CC2)nc(C)n1	ZINC22_175603597,EMOLS-id_189731687,MCULE-6029020410	398.505	HBMGOUBXZOWBNY-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-113360
s1c2CCCCCc2c(c1NC(=O)C(Sc1nn2c(n1)nccc2)C)C#N	PC-id_24578562	398.505	MOPMZBJCWXXTFD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113361
CCOC(=O)c1sc(c2c1OCCCCCCCCCCO2)C(=O)OCC	PC-id_101801835	398.514	BSPYMBZCHLSWGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113362
CCn1cc2c(c1)C(=O)N(CCC2)CCCN1CCN(CC1)c1ccc(cc1)F	SCHEMBL6773091,PC-id_22738109	398.517	XSOMNYOQACVDHX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113363
CCn1ccc2c1CCCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)F	PC-id_22737964,SCHEMBL6780044	398.517	ILXVQNZRYKCOJX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113364
Fc1ccc(cc1)N1CCN(CC1)CCCCN1CCCc2c(C1=O)ccn2C	PC-id_22737913,SCHEMBL6775427	398.517	YUTSKZGNIXQPFU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113365
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)c(C)cn2C	PC-id_22738087,SCHEMBL6772962	398.517	VXGYBVGLSQIWAZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113366
Fc1ccc(N2CCN(CCCN3CCC(c4n(ccc4C3=O)C)C)CC2)cc1	PC-id_21304044	398.517	REFWSOCYRCBSMY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113367
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)N1CCOCC1	EMOLS-id_1116262,PC-id_1037564,CoCoCo_706212,ZINC22_708179,MCULE-9859157569	398.518	UFSYLTOAQUXZAB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113368
s1c2c(CCCCC2)c(c1NC(=O)CN1CCc2c1cccc2)C(=O)OCC	PC-id_22199919	398.518	FZSDJEVSFSZLCM-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-113388
c1(c2CCCCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCOCC1	TIMTEC36355,ZINC22_1215195,ChEMBL-DNDi_CHEMBL6078270,MCULE-8492289899,PC-id_1369040,EMOLS-id_1341486,CoCoCo_203792,BAS-01533246,SCHEMBL12218514	398.518	CFMAJUXCNVCFLS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113369
c1(c2CCCCCc2sc1NC(=O)c1cccc(C)c1)C(=O)N1CCOCC1	ZINC22_1081671,EMOLS-id_6767994,PC-id_1268394,CoCoCo_1949780,MCULE-4686480102	398.518	FWAPNYYKFUENLT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113370
c1(cc2c(CCCCCC2)s1)C(=O)Nc1ccc(cc1)C(=O)N1CCOCC1	ZINC22_4804057,MCULE-7121216103,TIMTEC413038,PC-id_2971409,CoCoCo_543321,EMOLS-id_2497787	398.518	QULDSJCOOMGXCP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113371
c1(NC(=O)Cc2ccc(c(OCC)c2)OCC)sc2c(CCCCC2)c1C#N	PC-id_1046232,ZINC22_720599,MCULE-7160357108,EMOLS-id_6783415,CoCoCo_1966244	398.518	RSKAWUJSVOKHPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113372
Cc1ccc(cc1NC(=O)c1cc2c(s1)CCCCC2)C(=O)N1CCOCC1	EMOLS-id_99405123	398.518	BRLAJELNNNEWNH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113373
CC1=CC(=O)N(C(c2c1ccs2)C(=O)NC(C)(C)C)Cc1ccc(cc1)OC	PC-id_134838502	398.518	UYRWJTDGHOMAAK-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-113374
COc1ccc(cc1NC(=O)c1cc2c(s1)CCCCC2)C(=O)N1CCCC1	EMOLS-id_98846700	398.518	LHMSIYYUFTWFOU-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-113375
OC1CCCN(C1)C(=O)c1cccc(c1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98948788	398.518	FXJGXMORMDUATK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-113376
OC1CCN(CC1)C(=O)c1cccc(c1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98941837	398.518	XYHWIVGXMXBFFP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-113377
O=C1N(C)CCC1Oc1ccc(c(c1)C)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_97752730	398.518	ZFEKXRGMFPTCBK-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-113378
O=C(c1cc2c(s1)CCCCC2)N1CCN(Cc2ccc3c(c2)OCO3)CC1	CoCoCo_3366600,EMOLS-id_43856969,MCULE-1736998670,PC-id_9461122,ZINC22_20902258	398.518	ZOZKGLDKJWTWOB-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-113379
O=C(c1cc2c(s1)CCCCC2)Nc1cccc(c1C)C(=O)N1CCOCC1	EMOLS-id_98544474	398.518	KREDXTCAUHGGOQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113380
O=C(c1cc2c(s1)CCCCC2)NC1CCN(CC1)C(=O)c1ccccc1O	EMOLS-id_100975288	398.518	ILIYUQUDFLKBEE-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-113381
O=C(c1cc2c(s1)CCCCCC2)N1CCN(C(=O)c2ccccc2O)CC1	MCULE-9675400703,PC-id_71939964,EMOLS-id_45638943,ZINC22_89809704	398.518	FOUUJQFJWSYMNE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113382
O=C(c1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2)NC1CCOCC1	EMOLS-id_101006017	398.518	LRCMBJQUXSXBLK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-113383
O=C(N1CCOCC1)Cc1ccc(cc1)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98279441	398.518	MIBFHLQWUXPIEQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113384
O=C(Nc1ccccc1O)C1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	GD-id_ZINC09914268,PC-id_16370326,EMOLS-id_11820449,CoCoCo_4292106,MCULE-3192909619,ZINC22_9914268	398.518	AAUSBDCOXDFLMN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-113385
O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cc2c(s1)CCCCC2	CoCoCo_2861328,PC-id_7603363,EMOLS-id_43703915,ZINC22_5279534,MCULE-3251220804	398.518	SJVULUXSHPGWCW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113386
s1c2c(CCCCC2)c(c1NC(=O)CN1C(Cc2c1cccc2)C)C(=O)OC	PC-id_22199962	398.518	HTAOBBPJUYGVQG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-113387
s1c2CCCCCCc2cc1C(=O)Nc1c(C(=O)N2CCOCC2)cccc1	PC-id_35328728	398.518	DIJQFBJLMSRYBU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113389
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCc2c1cccc2)C(=O)OC	PC-id_22199863	398.518	CXPAQVKDNQLJGW-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-113390
CCNC(=NCC1(CC1)c1cccc(c1)F)NCCc1nnc2n1CCCCC2	PC-id_111638466	398.52	HYNNRMILUNBKSX-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-113391
CCNC(=NCC1(CC1)c1ccccc1F)NCCc1nnc2n1CCCCC2	PC-id_112253415	398.52	SECNTNPQJUPVNZ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-113392
CN=C(NCC1(CC1)c1cccc(c1)F)NCCCc1nnc2n1CCCCC2	PC-id_111639224	398.52	VQRAJWKATWSFNB-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-113393
CN=C(NCC1(CC1)c1ccccc1F)NCCCc1nnc2n1CCCCC2	PC-id_112071712	398.52	RFWMLERDFWREQV-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-113394
CNC(=O)c1ccc(cc1)CN(C(=O)Nc1nc2c(s1)CCCCC2)C1CC1	PC-id_93962937	398.522	SEYRCCDLRSCDST-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113395
COc1ccc(c2nc(CN3Cc4c[nH]nc4CC(C)(C)C3)cs2)cc1OC	ZINC22_664870317	398.522	YHJKXJSNFUQUGD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113396
COc1cc(CNCc2nnc3n2CCCCC3)ccc1OCc1cccs1	MCULE-5310926630,EMOLS-id_50939288,PC-id_121844147	398.522	XLNZQSXRNVTZRY-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-113397
N#Cc1c(NC(=O)CCN2CCCC2c2onc(c2)C)sc2c1CCCCC2	EMOLS-id_98011586	398.522	SDESYEDYNDXERL-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-113398
O=C1C[C@@H](c2ccccc2)N(C(=O)Nc2nc3c(s2)CCCCCC3)CCN1	ZINC22_194515208	398.522	QYDNFBMBFOATQK-KRWDZBQOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113399
O=C1C[C@H](c2ccccc2)N(C(=O)Nc2nc3c(s2)CCCCCC3)CCN1	ZINC22_194515219	398.522	QYDNFBMBFOATQK-QGZVFWFLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113400
O=C1NCCN(C(C1)c1ccccc1)C(=O)Nc1sc2c(n1)CCCCCC2	MCULE-9524040847,EMOLS-id_101066494	398.522	QYDNFBMBFOATQK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113401
O=C(C1CCN(C(=O)c2ncccc2)CC1)Nc1sc2c(CCCCCC2)n1	EMOLS-id_316157682,MCULE-6761285774,PC-id_134708387,ZINC22_172876919	398.522	ZFIRSNDLYNDXCT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-113402
O=C(CN1CCc2nc(sc2CC1)C(=O)NCc1ccccc1)N1CCCC1	EMOLS-id_313793849,ZINC22_2055793503	398.522	LOPXWOTZUWTBDF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113403
O=C(N1CCc2c(CC1)nc(s2)C(=O)N1CCCCC1)NCc1ccccc1	PC-id_97524706	398.522	QTZIFIYVZZEWLF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113404
O=C(N1CCCN(CC1)C(=O)c1ccccc1)Nc1nc2c(s1)CCCCC2	EMOLS-id_98020370	398.522	NOTQIWCSNRGCNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113405
O=C(N1CC[NH+](CC1)Cc1n2CCCCCc2nn1)COc1c(cccc1C)C	PC-id_40791056	398.522	XSKYLUUIZKXKLE-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-113406
O=C(N1CC[NH+](CC1)Cc1n2CCCCCc2nn1)COc1cc(cc(c1)C)C	PC-id_40791059	398.522	NCUPAKMUPLHXMZ-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-113407
O=C(N1CC[NH+](CC1)Cc1n2CCCCCc2nn1)COc1c(c(ccc1)C)C	PC-id_40792076	398.522	LHPXZDZMKSTDDT-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-113408
O=C(NC(c1ccc(cc1)NC(=O)C1CC1)C)Nc1nc2c(s1)CCCCC2	PC-id_112825100	398.522	OVJOIOQIXLZQLR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113409
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1occc1)C#N	PC-id_22195993	398.522	QGBMODHKOADWPH-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-113410
S(c1n2CCCCCc2nn1)C(C(=O)c1c(n(c(c1)C)Cc1occc1)C)C	PC-id_78559297	398.522	ABGHDIVRCCJUMC-UHFFFAOYSA-N	00000000111000000101000000000010000000000000000000000000	31-01-113411
S(c1n2CCCCCc2nn1)[C@@H](C(=O)c1c(n(c(c1)C)Cc1occc1)C)C	PC-id_7877435	398.522	ABGHDIVRCCJUMC-MRXNPFEDSA-N	00000000111000000101000000000010000000000000000000000000	31-01-113412
S(c1n2CCCCCc2nn1)[C@H](C(=O)c1c(n(c(c1)C)Cc1occc1)C)C	PC-id_7877436	398.522	ABGHDIVRCCJUMC-INIZCTEOSA-N	00000000111000000101000000000010000000000000000000000000	31-01-113413
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CCCN(C1)S(=O)(=O)C	EMOLS-id_100554914	398.523	OMVXXKHMECILGF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-113414
CCC(c1nnc2n1CCCCC2)NC(=O)N(C1CCN(C1)S(=O)(=O)C)C	EMOLS-id_100558602	398.523	QAFVKSSGHQAWBU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-113415
CCN(S(=O)(=O)C)C1CCN(CC1)C(=O)NCc1nnc2n1CCCCC2	EMOLS-id_110803459	398.523	NUUDEBRJTJNKRI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-113416
CN(C)C(=O)N1CCCn2nc(CNS(=O)(=O)N3CCCCCC3)cc2C1	MCULE-5739156709,EMOLS-id_46625628,ZINC22_95372316,PC-id_72889361	398.523	YIFNDLLWSZNGNY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113417
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(nn1)N)C(=O)OC	PC-id_8632748	398.523	VCUFPSJHMGGGQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113418
CN=C(NCc1nnc2n1CCCCC2)NCC(c1cc2c(s1)cccc2)O	PC-id_109726977	398.525	QYZANCGCGLGJTG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113419
N#Cc1c(NC(=O)CN2CCCC(C2)c2n[nH]c(n2)C)sc2c1CCCCC2	EMOLS-id_98964880	398.525	HIPTYIQVYKVCGW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-113420
N#Cc1c(NC(=O)CN2CCN(CC2)Cc2ncc[nH]2)sc2c1CCCCC2	EMOLS-id_99157501	398.525	HTGPLLRQTIACBT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-113421
N#Cc1c(NC(=O)C(NC2CCc3n(C2)nc(n3)C)C)sc2c1CCCCC2	EMOLS-id_99030855	398.525	ONDAIKDFVYJJBZ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-113422
N#Cc1c(NC(=O)C(NCc2nnc3n2CCCC3)C)sc2c1CCCCC2	EMOLS-id_101009506	398.525	XTNCRXUCLLRQCV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-113423
O=C(Nc1ccc2c(c1)sc(n2)C(C)C)NCCc1nnc2n1CCCCC2	EMOLS-id_98809669	398.525	OEZXVYAAUFTWJN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113424
s1c2n(c(c(n2)C(=O)N2CCCC2)CNCc2n[nH]c3c2CCCCC3)cc1	PC-id_56853312	398.525	ANIYAPZXZCQOBG-UHFFFAOYSA-N	00000010100000000101000100000010000000000000000000000000	31-01-113425
O=C(OC(C)(C)C)N[C@H]1COc2c(NC1=O)cnn2COCC[Si](C)(C)C	PC-id_140764729	398.529	SOKAUGWQAVWICP-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113426
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCCO[C@@]1(C)CCCCO1	PC-id_139755192	398.535	XDCBLPDPRASJBP-RUZDIDTESA-N	00000010100010000110000000000010000000000000000000000000	31-01-113427
CCCCc1cc2n(c1C(=O)c1cccn1CC)CCCCC2C(=O)OC(C)C	PC-id_70537462,SCHEMBL11205443	398.538	FBABSVDASGWYHH-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-113428
CCCC#Cc1cc(c2-c1ccccc2)CN1CCN(CC1)c1ccccc1OC	BindingDB_PC-id_71459760,PC-id_71459760	398.54	RSTJJQONPRJAIE-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-113429
CC(C(=O)N1CCS(=O)(=O)CC1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110668521	398.54	AYDZTSHKVYEBGR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-113430
OC1CS(=O)(=O)CC1N1CCN(CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_110958585	398.54	AMVYOTNVZDUALY-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-113431
s1c2c(CCCCCC2)c(c1NC(=S)NCC(=O)OCC)C(=O)OCC	PC-id_19651715	398.54	NSEWSBOHJJUSSQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-113432
S(=O)(=O)(C1CCCC1)CCC(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_52273354	398.54	SSNZOJWZFOJVTH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-113433
Cc1ccc(Nc2nc(COC(=O)c3cc4c(s3)CCCCC4)cs2)cc1	CoCoCo_2861347,ZINC22_6912449,MCULE-4927456768,EMOLS-id_3412410,PC-id_4845154	398.542	DSSMBNRHNWPCKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113434
C/C=C(/OC(=N/C(=C/C)/C)N(CCCN(c1nc2=CCC=CC=c2o1)CC)C)C	PC-id_143408769	398.542	FTHRIBARPMGALP-TVLGINQGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-113435
O(c1ccc(C(C)(C)C)cc1)CCCC(=O)NCCc1n2CCCCCc2nn1	PC-id_51304494	398.542	BBMQLDIIQXKBLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113436
s1c2CCCCCc2cc1C(=O)Nc1sc(c(n1)c1ccc(OC)cc1)C	PC-id_7916154	398.542	JXKZZUSTBIQXMZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113437
s1c2CCCCCc2c(c1NC(=O)CC[NH2+]C(c1c(OC)cccc1)C)C#N	PC-id_74469210	398.542	HCDAUHHLGLDGTO-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-113438
s1c2CCCCCc2c(c1NC(=O)CC[NH2+][C@@H](c1c(OC)cccc1)C)C#N	PC-id_25692956	398.542	HCDAUHHLGLDGTO-OAHLLOKOSA-O	00000000100000110100000000000010000000000000000000000000	31-01-113439
s1c2CCCCCc2c(c1NC(=O)CC[NH2+][C@H](c1c(OC)cccc1)C)C#N	PC-id_25692958	398.542	HCDAUHHLGLDGTO-HNNXBMFYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-113440
s1c2CCCCCc2c(c1NC(=O)CC[NH+](Cc1ccc(OC)cc1)C)C#N	PC-id_25693951	398.542	VKIVLHLHIBTPLH-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-113441
s1c2CCCCCc2c(c1NC(=O)CC[NH+](Cc1cc(OC)ccc1)C)C#N	PC-id_25693936	398.542	QLYGTFLHLWERNF-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-113442
CCN(C1=CC=C(CC1)/C=C/c1n[nH]c(c1)/C=C/C1=CCC=c2c(=C1)[nH]cc2)CC	SCHEMBL20172693,PC-id_134527867	398.543	MCRBFJNEVQRQOF-QHKWOANTSA-N	00000000100011000111000000000010000000000000000000000000	31-01-113443
CNc1ccc(cc1NCc1[nH]nc2c1C=CCC=C2)c1ccc(cc1)C(C)(C)C	PC-id_142236574	398.543	CZXADWQPXBDQOC-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-113444
O=C(N1CCC(CC1)N1CCCS1(=O)=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_101845669	398.543	ABPMMRJXBHZNAV-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-113445
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(CC(C)(C)C)CCn12	MCULE-5418042308,EMOLS-id_232748196,PC-id_45931173	398.545	USVCRLPHZTWKAO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113446
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(cc3)N(C)C)CCn12	PC-id_45216619,MCULE-6726628793,ChEMBL-DNDi_CHEMBL50740786,EMOLS-id_20600331	398.545	JWNOTTYOGGJHAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113447
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)OC)C	PC-id_111271871	398.545	XXABERIFQJDGCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113468
c1(C(=O)N2CCC(CC2)c2cc(n(C)n2)CN(C)C)c2CCCCCCc2[nH]n1	BDE-23601993,ZINC22_19710224,MCULE-4934666857,EMOLS-id_46581181,PC-id_110092575	398.545	ZSXDRVNWWAUTGE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-113448
CC(CC(c1nnc2n1CCN(CC2)Cc1ccc(cc1)N(C)C)NC(=O)C)C	ChEMBL-DNDi_CHEMBL38489790	398.545	PWMUVUQLULPSSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113449
CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(CC(C)(C)C)CC2	ZINC22_12030610	398.545	USVCRLPHZTWKAO-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113450
CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(CC(C)(C)C)CC2	ZINC22_12030614	398.545	USVCRLPHZTWKAO-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113451
CCCOc1cc(C)ccc1CN=C(NCc1nnc2n1CCCCC2)NCC	PC-id_109628086	398.545	DZZTURULINNSSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113452
CCC(Oc1cc(C)ccc1CNC(=NC)NCc1nnc2n1CCCCC2)C	PC-id_109678155	398.545	HJBCNAFRCKBQKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113453
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(N(C)C)cc1)CC2)C(C)C	CoCoCo_1418732,ZINC22_12149640,CoCoCo_1418733	398.545	JWNOTTYOGGJHAY-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113454
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(N(C)C)cc1)CC2)C(C)C	ZINC22_12149641,CoCoCo_1418731,CoCoCo_1418730	398.545	JWNOTTYOGGJHAY-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113455
CCNC(=NCc1ccc(cc1OC(C)C)C)NCc1nnc2n1CCCCC2	PC-id_109629452	398.545	QVUQBWUQJBCXCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113456
CCNC(=NCc1ccccc1OC(C)(C)C)NCc1nnc2n1CCCCC2	PC-id_111690828	398.545	LFMBMXCMDZBKCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113457
CCNC(=NCc1ccc(cc1OCC)C)NCCc1nnc2n1CCCCC2	PC-id_109680413	398.545	CLHKBDGJTVFFND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113458
CCNC(=NCc1ccc(cc1OC)C)NCCCc1nnc2n1CCCCC2	PC-id_109710961	398.545	HTJMMIXAJGWPJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113459
CCNC(=NCc1ccccc1OCC)NCCCc1nnc2n1CCCCC2	PC-id_111881173	398.545	CSAWZBUKMQHCHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113460
CCNC(=NCc1nnc2n1CCCCC2)NCCC(c1ccc(cc1)OC)C	PC-id_111641690	398.545	HQSFRPGEBCMPAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113461
CCNC(=NCc1nnc2n1CCCCC2)NCC(COCc1ccccc1)C	PC-id_109569075	398.545	GKBMAGCTJMRWIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113462
CCNC(=NCc1nnc2n1CCCCC2)NCCCOC(c1ccccc1)C	PC-id_111403015	398.545	WVYOSFSEESEYCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113463
CCNC(=NCC(c1ccccc1)CO)NCCCc1nnc2n1CCCCC2	PC-id_109408382	398.545	OUTJOBHFBGXFQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113464
CCNC(=NCC(c1ccccc1)(O)C)NCCCc1nnc2n1CCCCC2	PC-id_109417094	398.545	AEFTWOAILPFVOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113465
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc(c(c1)OC)C	PC-id_111589033	398.545	PYNPEDVECNFEFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113466
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1cc(C)ccc1OC	PC-id_111388952	398.545	QPHMGKVEOBGOOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113467
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccccc1OC)C	PC-id_111281669	398.545	VQTPSPRCSTXLBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113469
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccc(cc1)OC	PC-id_111170938	398.545	MSGVANMHDFOGKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113470
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccccc1OC	PC-id_111339599	398.545	OTJQXJDVBBBODG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113471
CCNC(=NCCCc1nnc2n1CCCCC2)NCCC(c1ccccc1)O	PC-id_111665354	398.545	RDQGDNDFVCKDKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113472
CCNC(=NCCCc1nnc2n1CCCCC2)N(CCOc1ccccc1)C	PC-id_111273585	398.545	LQDGVIDDMWGOJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113473
CCNC(=NCCCc1nnc2n1CCCCC2)NCCOc1ccc(cc1)C	PC-id_111276923	398.545	MVKDANSAHUBBPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113474
CCNC(=NCCCc1nnc2n1CCCCC2)NCCOCc1ccccc1	PC-id_112075224	398.545	QTVZBIGWFSWPGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113475
CCNC(=NCCCOc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111417961	398.545	YNWHFKABUUEKKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113476
CCNC(=NCC(Oc1cccc(c1)C)C)NCCc1nnc2n1CCCCC2	PC-id_111685260	398.545	NZISAMJMNYSQQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113477
CCNC(=NCC(Oc1ccccc1C)C)NCCc1nnc2n1CCCCC2	PC-id_111686302	398.545	OTWPZNMVNSWOLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113478
CCOc1ccc(cc1)CN(C(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111275621	398.545	HLAQBGTVYACUFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113479
CCOc1cc(C)ccc1CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109679737	398.545	NYFICWOJJTXYQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113480
Cn1cnnc1Sc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1	ZINC22_71820616,PC-id_60361934,EMOLS-id_44521245,MCULE-3347355765	398.545	YPOJZLQEIFOKAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113481
CN=C(NC(c1ccc(cc1)OCC(C)C)C)NCc1nnc2n1CCCCC2	PC-id_109747697	398.545	KSDWLLSCVHTACV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113482
CN=C(NC(c1cc(C)ccc1OC)C)NCCCc1nnc2n1CCCCC2	PC-id_111386459	398.545	UWTWJKZHXVRNLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113483
CN=C(NCCc1ccc(c(c1)OC)C)NCCCc1nnc2n1CCCCC2	PC-id_111589778	398.545	OHPLVIBUHWBIRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113484
CN=C(NCCc1cc(C)ccc1OC)NCCCc1nnc2n1CCCCC2	PC-id_111389609	398.545	IFUHOJPBJGORJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113485
CN=C(NCCc1nnc2n1CCCCC2)NCCCOC(c1ccccc1)C	PC-id_111403087	398.545	QDNKWCLVUSOORT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113486
CN=C(NCC(COCc1ccccc1)C)NCCc1nnc2n1CCCCC2	PC-id_109568745	398.545	HCAHUZAYLMXJPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113487
CN=C(N(CCOc1ccc(cc1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_111419309	398.545	MMMJQJFXZYJSIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113488
CN=C(N(CCOc1ccccc1C)C)NCCCc1nnc2n1CCCCC2	PC-id_111419547	398.545	VXZMZLDEDMSEBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113489
CN=C(NCC(Oc1cccc(c1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_111685778	398.545	HBIMBXZWIORSGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113490
CN=C(NCC(Oc1ccccc1C)C)NCCCc1nnc2n1CCCCC2	PC-id_111686832	398.545	YQYHOARGURRRKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113491
COc1ccc(cc1)C(CCNC(=NC)NCCc1nnc2n1CCCCC2)C	PC-id_111640954	398.545	PKGOWQYKLBNHDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113492
O=C(CSc1nnc2n1CCCCC2)N[C@H](c1ccccc1)c1cccs1	CoCoCo_4054364,ZINC22_7281080,PC-id_8379591	398.545	RVNZXOVXZXLPDW-LJQANCHMSA-N	00000000100100110101000000000010000000000000000000000000	31-01-113493
O=C(CSc1nnc2n1CCCCC2)N[C@@H](c1ccccc1)c1cccs1	PC-id_8379585,CoCoCo_4054363,ZINC22_7281072	398.545	RVNZXOVXZXLPDW-IBGZPJMESA-N	00000000100100110101000000000010000000000000000000000000	31-01-113494
O=C(NC(c1cccs1)c1ccccc1)CSc1nnc2n1CCCCC2	PC-id_16341463,EMOLS-id_3690767,MCULE-8616026447	398.545	RVNZXOVXZXLPDW-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-113495
s1c2CCCCCc2cc1C(=O)NN=Cc1c(n(c(c1)C)c1sccn1)C	PC-id_84972610	398.545	MTOALEZYDIQCNJ-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-113496
s1c2CCCCCCc2nc1NC(=O)c1cc(nc(SC)c1C#N)C1CC1	PC-id_56571869	398.545	PDVIYFJPPXZQDJ-UHFFFAOYSA-N	00100000100000101101100000000010000000000000000000000000	31-01-113497
CCNC(=NCc1nnc2n1CCCCC2)NC1CCc2c(C1)nn(c2)C(C)C	PC-id_120067723	398.548	NFNQPRFXZXCANN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-113498
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)c1cnn(c1)C	PC-id_111742847	398.548	MILOPZZACVUSIF-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-113499
CN=C(N1CCC(C1)Cc1cnn(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_112083739	398.548	AQRUISFZMRWEEF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-113500
CN=C(N1CCC(C(C1)n1ccnc1)C)NCCCc1nnc2n1CCCCC2	PC-id_109763397	398.548	MEQNTIGEGYYZEA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-113501
CN=C(NC1CCc2c(C1)nn(c2)C(C)C)NCCc1nnc2n1CCCCC2	PC-id_120067729	398.548	RYSUYBAZDRTVBT-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-113502
c1(c2CCCCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccccc1CC	MCULE-2079305408,TIMTEC360677,PC-id_3762120,ZINC22_4503144,CoCoCo_1731281,EMOLS-id_2765535	398.561	ONZVQMTVNXNWBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113503
c1(NC(=O)c2ccc(cc2)C)sc2c(CCCCCCCCCC2)c1C(=O)N	SPECS-id_AK-968/15604842,ZINC22_2090028,TIMTEC333098,EMOLS-id_5127068,MCULE-4306658933,CoCoCo_5829644,PC-id_1747336	398.561	NJDNZWJMLXFMSF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113504
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCCC3)c(C)c1	MCULE-9409107758,ZINC22_8055059,EMOLS-id_44513033,PC-id_9186325	398.561	MATDUTCQDMNHBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113505
OC1CCN(CC1)Cc1ccccc1CNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_100318111	398.561	KUMZOCLAHIZXBZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-113506
OC1CCN(CC1)Cc1ccc(cc1)CNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_98641918	398.561	LYQHFFOHEVXCHI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-113507
OCC1CN(CCC1NC(=O)c1cc2c(s1)CCCCC2)Cc1ccccc1	EMOLS-id_98237848	398.561	MBIIBOAYVDEPHZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-113508
Brc1c(OCC(=O)Nc2sc3CCCCCc3n2)ccc(F)c1	PC-id_16605140	399.278	HYJFFHJQUFRLBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113607
O=C(NCc1ccccc1CN1CCOCC1)c1cc2c(s1)CCCCCC2	EMOLS-id_43941433,MCULE-8113162155,PC-id_47009277,ZINC22_48149730	398.561	LCBWETWWWUOMJR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113509
s1c2CCCCCCc2cc1C(=O)N(Cc1ccc(cc1)C(=O)N(C)C)CC	PC-id_56511162	398.561	BIUDUQPXZBXAQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113510
s1c2CCCCCCc2cc1C(=O)N(Cc1c(N2CCOCC2)cccc1)C	PC-id_55416200	398.561	IOYFANBSIZSPMW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113511
c1(C#N)c2CCCCCCCCCCc2sc1NCc1ccc(c(OC)c1)O	CoCoCo_6876909,EMOLS-id_3741282,ZINC22_2060348,STOCK3S-87695,MCULE-3806488256,PC-id_1724365,SPECS-id_AE-848/13006032	398.562	BHNKUYKEYPWLMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113512
c1(C(=O)N(CCC)CCC)c2CCCCCc2sc1NC(=O)c1ccccc1	PC-id_2252148,TIMTEC32388,CoCoCo_81718,ChEMBL-DNDi_CHEMBL5586597,SPECS-id_AE-848/34090083,MCULE-5411368280,ZINC22_2904848,EMOLS-id_1230901,BAS-00486707	398.562	LAHNEICUEJFEOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113513
Cc1ccc(C(C)C)c(OCc2n[n+](CC(=O)C(C)(C)C)c3n2CCCCC3)c1	PC-id_4479478,ZINC22_6501698,CoCoCo_5792419,MCULE-5584966670	398.562	GGOVXEZDTVPHCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113514
OC(=O)Cn1c(C)c(c2c1CCCCC2)Cc1ccc(cc1)SN1CCCC1	PC-id_143971543	398.562	VIJMVIAGCPLRAJ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-113515
c1(NC(=O)CSC2=NCCS2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_6047375,CoCoCo_6804906,EMOLS-id_4077162,MCULE-1396356519,PC-id_17385379,TIMTEC280597	398.563	LCOOWTYOHXESSH-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-113516
COC(=O)c1c(NC(=O)CSC2=NCCS2)sc2c1CCCCCC2	TIMTEC562192,PC-id_5302518,EMOLS-id_5034105,MCULE-2104687792,ZINC22_4753817	398.563	XYZRMIBTDZFTJU-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-113517
O=C(c1sc2c(c1)CCCCCC2)NNS(=O)(=O)CCc1cccs1	MCULE-8271183470,PC-id_99794698,EMOLS-id_50571397	398.563	HALKHUCRHGWAGH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-113518
s1c2CCCCCc2cc1C(=O)NCc1sc(S(=O)(=O)N(C)C)cc1	PC-id_33307607	398.563	HYIOZUBTFSQVQY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-113519
s1c2c(CCCCC2)c(c1NC(=O)CCSC1=NCCS1)C(=O)OC	PC-id_24165498	398.563	FLUZPELKZZICOS-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-113520
s1c2c(CCCCC2)c(c1NC(=O)C(SC1=NCCS1)C)C(=O)OC	PC-id_24053694	398.563	SJUQCHYYWLNLML-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-113521
Cc1cc(N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)nc(C(C)C)n1	CoCoCo_4254195,PC-id_9268923,ZINC22_8133961,MCULE-4054722485,EMOLS-id_11750009	398.565	AGKLEUMFMYJEMU-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-113522
Cc1sc2c(c1)C(=O)N(CCC2)CCCCN1CCN(CC1)c1ccccn1	PC-id_141574499	398.565	OOLDNORYHAHVFG-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-113523
CC(C(=O)N1CCC(CC1)Cc1ccccc1)Sc1nnc2n1CCCCC2	MCULE-4694648540,PC-id_16390914,EMOLS-id_11867695	398.565	CUAKRIHTZOTBGL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113524
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N1CCC(Cc2ccccc2)CC1	CoCoCo_4173168,PC-id_41292033,ZINC22_9952311	398.565	CUAKRIHTZOTBGL-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113525
C[C@H](Sc1nnc2n1CCCCC2)C(=O)N1CCC(Cc2ccccc2)CC1	PC-id_41292031,ZINC22_9952307,CoCoCo_4173167	398.565	CUAKRIHTZOTBGL-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113526
O=C(NC(c1n2CC[NH+](CCc2nn1)CCC)CC(C)C)c1cc(cc(c1)C)C	PC-id_74777651	398.565	VXTFXNAPGJULGL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-113527
O=C(NC(c1n2CC[NH+](CC(CC)CC)CCc2nn1)C)CCc1ccccc1	PC-id_74496528	398.565	KJGZXABRJNHSAZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-113528
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)CCC)CC(C)C)c1cc(cc(c1)C)C	PC-id_42190944	398.565	VXTFXNAPGJULGL-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-113529
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)CCC)CC(C)C)c1cc(cc(c1)C)C	PC-id_42190948	398.565	VXTFXNAPGJULGL-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-113530
O=C(N[C@@H](c1n2CC[NH+](CC(CC)CC)CCc2nn1)C)CCc1ccccc1	PC-id_26324565	398.565	KJGZXABRJNHSAZ-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-113531
O=C(N[C@H](c1n2CC[NH+](CC(CC)CC)CCc2nn1)C)CCc1ccccc1	PC-id_26324567	398.565	KJGZXABRJNHSAZ-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-113532
s1c2CCCCCc2cc1C(=O)NCc1ccc(N2CCN(CC2)CC)nc1	PC-id_55744429	398.565	WBHFVDBYFAIBNE-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-113533
s1c2CCCCCCc2cc1C(=O)NCc1cc(N2CCN(CC2)C)ncc1	PC-id_55742965	398.565	DEOOKNRYNJLJDQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-113534
CCNC(=NCCCc1nnc2n1CCCCC2)NC(CCS(=O)(=O)C)C	PC-id_109829614	398.567	KAQVQIODNGJOJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113535
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CC1)Sc1ccccc1	PC-id_111557755	398.568	KAPYJARLYUQJQG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113536
CN=C(N1CCC(C1)CSc1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111748656	398.568	VDEXVUCTNKMLBB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113537
CN=C(NCC1(CC1)Sc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111557482	398.568	CEJXORDFTKWYOQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113538
C/C=CC=C/C/1=C/C(=C)/C=c/2c(=C/CN1C(=C)C=C)cc(n2/C(=C/C(=CC)/C)/C)C	SCHEMBL20146135,PC-id_134504314	398.583	CVCHCWXQMCMEES-GFWOYZMVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-113539
CCN(S(=O)(=O)C)C1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110801567	398.583	SIFHIZDAFCLVIM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-113540
CCS(=O)(=O)N(C1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2)C	EMOLS-id_110800336	398.583	RIQMPOSZIOPVQP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-113541
s1c2CCCCCCc2cc1C(=O)Nc1c(cc(N2CC[NH+](CC2)C)cc1)C	PC-id_40202268	398.585	AWMUCXQWWIUCDT-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-113542
CCN1CCCc2c(C1)c(n[nH]2)C(CC1CN(C)Cc2c(C1)[nH]nc2C(C)C)C	SCHEMBL19413391	398.588	CAMHNIGIWOQKRH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113543
c1(C(=O)NCCCN(CCCC)Cc2ccccc2)csc2CCCCCc12	CoCoCo_2171602,EMOLS-id_16062871,CoCoCo_2171603,PC-id_20881881,MCULE-4167511132	398.605	OIOKKJYRFMURDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113544
Cc1ccc(cc1)N1CCN(CC1)CCC(c1c(C)sc2c1CCCCC2)O	PC-id_141912651	398.605	FEIHZHLIEDKLTA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113545
S1SCCC1CCCCC(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_24644261	398.606	WJSBYJYYTYQAAW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-113546
O=C(Nc1ccc(cc1Cl)Br)NCc1nnc2n1CCCCC2	GD-id_ZINC43420501	398.685	BIKBSWSHYCHIHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113547
ClC(Cl)(Cl)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCCC	PC-id_3299512	398.732	COFUWXNZNUYEKS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-113548
ClC(Cl)(Cl)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC(C)C	PC-id_5215699	398.732	WGRYVDOIWHMVMS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-113549
ClC(Cl)(Cl)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_4204859	398.732	DPYLMRFZXKUNTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-113550
Clc1cc(c2onc(n2)CN2CCCCn3c2nnc3C(F)(F)F)ccc1	SCHEMBL4335368,PC-id_11211703	398.77	YBSISBIGTHISNS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113551
Clc1c(cc(/C=C/C(=O)NCc2n3CCCCCc3nn2)cc1)C(F)(F)F	PC-id_40138835	398.81	BUBWAQQPMVRJTP-SOFGYWHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113552
Clc1c(cc(C=CC(=O)NCc2n3CCCCCc3nn2)cc1)C(F)(F)F	PC-id_74675028	398.81	BUBWAQQPMVRJTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113553
Clc1c(ncc(c1)C(F)(F)F)C(C(=O)c1sc2CCCCCc2c1)C#N	MCULE-5064078007,EMOLS-id_44528624,PC-id_71896642	398.83	MHEPKPYFZOWRET-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-113554
N#C[C@H](C(=O)c1cc2c(s1)CCCCC2)c1ncc(C(F)(F)F)cc1Cl	PC-id_97010476,ZINC22_84338477	398.83	MHEPKPYFZOWRET-LBPRGKRZSA-N	00000000100000101100000000000010000000000000000000000000	31-01-113555
N#C[C@@H](C(=O)c1cc2c(s1)CCCCC2)c1ncc(C(F)(F)F)cc1Cl	ZINC22_84338475,PC-id_97010475	398.83	MHEPKPYFZOWRET-GFCCVEGCSA-N	00000000100000101100000000000010000000000000000000000000	31-01-113556
c12C(=O)N(CCCn1nc(C(=O)NCc1ccco1)c2)Cc1ccc(cc1)Cl	MCULE-7279572923,PC-id_50797899,EMOLS-id_32846276	398.843	LMAIUUNTSWAIAW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-113557
C1CCc2c(CC1)sc(c2C(=O)Nc1ccccc1)NC(=O)C(F)(F)Cl	PC-id_137658371	398.855	AOBBSHPEDOGMDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113558
Clc1ccc(cc1)NC(=O)c1c(NC(=O)C(F)F)sc2c1CCCCC2	PC-id_11632698,SCHEMBL4144292	398.855	KVDRCZWRAVZXPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113559
OCC(C(=O)N1CCCc2c(C1)cco2)NS(=O)(=O)c1ccc(cc1)Cl	EMOLS-id_320136025,MCULE-1808625028	398.861	WHRQHZPXCBOQJY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113560
O(c1c2c(c([nH]c2C)C)c(=NC2CCCCC2)ccc1)CC.[Cl](=O)(=O)(=O)O	CHEMBL1343338	398.881	ZWHZVZVKZMLTOA-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-113561
c1(NC(=O)c2c3CCCCCc3on2)c(C)nn(Cc2ccc(cc2)Cl)c1C	BindingDB_PC-id_3240004,BindingDB-id_143563,PC-id_3240004,EMOLS-id_6683120,MCULE-7321866156,CHEMBL1415932,ChEMBL-DNDi_CHEMBL1415932	398.886	BRSHXJZQSXYQQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113562
c1(NC(=O)c2c3CCCCCc3on2)c(C)nn(Cc2ccccc2Cl)c1C	TIMTEC247415,ZINC22_2465851,CHEMBL1416255,EMOLS-id_6682364,PC-id_3239448,MCULE-9706741745,ChEMBL-DNDi_CHEMBL1416255	398.886	JRVGULIWMJRXKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113563
Clc1c(Cn2ncc(C(=O)NCCc3n4CCCCCc4nn3)c2)cccc1	PC-id_51304533	398.889	DUJYRIXCEYZEGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113564
Clc1ncn(c2c(OC)cc(Nc3nc4n(n3)CC=CCC4C(C)C)cc2)c1	PC-id_46864593	398.889	NFMFIAXKXYRAFP-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-113565
Clc1n(nc(c1C(=O)NCc1n2CCCCCc2nn1)C)Cc1ccccc1	PC-id_51266289	398.889	GLPITASANOBIQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113566
Cc1ccccc1S(=O)(=O)NC=C(c1ccc2-c1ccccc2)c1ccccc1	PC-id_142734120	399.505	PFJFJAKXFNSPKN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-113916
Clc1n(nc(c1C(=O)NCCc1n2CCCCCc2nn1)C)c1ccccc1	PC-id_51304477	398.889	NMVUXANVRGVFBX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113567
CC(C)Cn1nc2CCN(CCn2c1=O)S(=O)(=O)c1ccc(C)c(Cl)c1	MCULE-2089146594,EMOLS-id_55716850	398.908	RWYBXGVSPRKPDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113568
CC(C)Cn1nc2CCN(CCn2c1=O)S(=O)(=O)c1ccc(Cl)cc1C	EMOLS-id_55716836,MCULE-1125766707	398.908	FXTWWXPWRUMCNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113569
Clc1cccc(c1)NC(=O)c1c(sc2c1CCCCC2)NS(=O)(=O)C	PC-id_68927848,SCHEMBL4138691	398.927	GFCNSNIXZSUSPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113570
Clc1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_8482866,MCULE-3018302080,EMOLS-id_17169109,CoCoCo_3535385	398.927	RCFFVPCUHJKYTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113571
Clc1ccc(S(=O)(=O)CCC(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_55508053	398.927	VBRKDCOVZVAEIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113572
Clc1ccc(S(=O)(=O)CC(=O)Nc2sc3CCCCCCc3n2)cc1	PC-id_60571890	398.927	AMFSAZWZRYNMSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113573
Clc1cc(c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cc1)C	PC-id_60531924	398.927	QFPLJVCOYMJZPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113574
Clc1cc(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)ccc1C	PC-id_55878962	398.927	BMMVQPDQAJSHLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113575
Clc1c(c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)ccc1)C	PC-id_60531978	398.927	INHKFKVGCQODGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113576
Clc1cc(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc1	PC-id_8482900	398.927	LRQVPEMIYVTMHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113577
Clc1c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)ccc(c1)C	PC-id_24629195	398.927	RPHRFJBREOBBGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113578
Clc1c(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)cccc1	PC-id_8482913	398.927	KCKYTKOVAOFIBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113579
Clc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)ccn2C	PC-id_22737910,SCHEMBL6770011	398.929	BCADUSWRCOUBOP-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-113580
Clc1cccc(c1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)ccn2C	SCHEMBL6774608,PC-id_22737890	398.929	KNLVGVFJPPSKAY-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-113581
Clc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)cn(c2)C	PC-id_22738111,SCHEMBL6773540	398.929	BFQZFPAWTOAWBZ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-113582
c1(CN2CCn3c(CC2)nc(CCc2ccccc2)n3)c(CC)nn(C)c1Cl	EMOLS-id_337785738,MCULE-7316805251,ZINC22_2356166531	398.932	BRGFEPVFQJTOJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113583
Cc1nn(c(c1CNCc1nnc2n1CCCCC2)C)Cc1ccccc1Cl	EMOLS-id_50952572,PC-id_121846685,MCULE-1893409931	398.932	LQYMBZYLODRBBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113584
Clc1ccc(cc1)n1nc(c(c1C)CNCCc1nnc2n1CCCCC2)C	EMOLS-id_51669231,MCULE-4927904867,PC-id_119111944	398.932	GRYWOVMBTBENNG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113585
CC(NC(=C)C(=O)c1c2CCCCCCc2n(c1C)Cc1ccc(cc1)Cl)C	PC-id_144259610	398.969	PJRNMDDYMNTIRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113586
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3C4=CC=CC=CC4=NC3=O	PC-id_154224755	399.018	FKXUJABSMGJKSB-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-113587
CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C(=CNS(=O)(=O)C)C3=CC=CS3	PC-id_153954916	399.133	GQMAVUGLUCAMEV-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-113588
CCOC(=O)C1=CC2=C(N1CC3=CC(=CC(=C3)OC)OC)C(=O)C(=CO)CCC2	PC-id_154499333	399.168	STDIDQNWDHXIQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113589
CC(C)(C)OC(=O)N1Cc2c(I)cnn2CC(F)(F)C1	EMOLS-id_317499088	399.176	WRCXWAHKAUZZOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113590
CC1=C(C=NN1C2=CC=CC=C2F)NC(=O)N(C)CC3=NN=C4N3CCOCC4	PC-id_164635581,EMOLS-id_320329417,MCULE-1765633129,ZINC22_1615553580	399.182	SVYJOXBQVVXUFS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113591
Cc1nn2CCC(C(=O)N(c2c1)C)NC(c1nn(cn1)Cc1ccc(cc1)F)O	PC-id_163558809	399.182	FPKQHGFXVMOGMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113592
CC(C)(C)C(=O)NCC1=CC=C(C=C1)C(=O)N(C)CC2=NN=C3N2CCOCC3	PC-id_164634798,ZINC22_1615550372,MCULE-8739059034,EMOLS-id_320334020	399.227	UPHFZLNDJCDMJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113593
O=C(N1CCCc2c(C1)cnn2C)NCc1cc(F)c(cc1Br)F	EMOLS-id_101698067	399.233	YJLWRLLJFNDZDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113594
CC1=NN2CC[C@](CN(C2=C1)C)(C=O)NC(=O)C3=NN(C=N3)CC4CC(C4)(C)C	PC-id_148898532	399.238	PGIJNXLBFWLSGZ-FQEVSTJZSA-N	00001000100000000101000000000010000000000000000000000000	31-01-113595
CN1C=CC2=C1/C(=NO)/CCN(C2)CCCN3CCN(CC3)C4=CC=C(C=C4)F	PC-id_146885858	399.243	SWUBLVUETJOJJI-FLFQWRMESA-N	00000000100010110101100000000010000000000000000000000000	31-01-113596
Brc1ccc(nc1)S(=O)(=O)NC(=O)c1n[nH]c2c1CCCCC2	EMOLS-id_112056965	399.263	AWGYQDBQMHDZHM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113597
C[C@@H](C(=O)O)Oc1cc(Oc2n(C)nc3c2CCCCC3)c(cc1Cl)Cl	SCHEMBL3607369,PC-id_68711396	399.268	BHEAQOMFVSBNRE-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-113598
Clc1c(Oc2n(nc3c2CCCCC3)C)cc(OC(C)C(=O)O)c(Cl)c1	PC-id_77542617	399.268	BHEAQOMFVSBNRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113599
Clc1c(c2oc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cccc1Cl	PC-id_84857110	399.273	LGOLEXLXRDVTIU-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-113600
Clc1c(c2oc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cccc1Cl	PC-id_8863093	399.273	LGOLEXLXRDVTIU-ACCUITESSA-N	00000000101000110101100000000010000000000000000000000000	31-01-113601
Clc1c(c2oc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cc(Cl)cc1	PC-id_3304483,EMOLS-id_26092955,MCULE-6791627494	399.273	UGQZTWSBOVJQEK-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-113602
Clc1c(c2oc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cc(Cl)cc1	PC-id_5787986,CoCoCo_3456440	399.273	UGQZTWSBOVJQEK-JLHYYAGUSA-N	00000000101000110101100000000010000000000000000000000000	31-01-113603
Clc1cc(c2oc(C=C(c3n4CCCCCc4nn3)C#N)cc2)ccc1Cl	PC-id_78650346	399.273	TYCUYNIKCYVGSR-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-113604
Clc1cc(c2oc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)ccc1Cl	PC-id_8275404	399.273	TYCUYNIKCYVGSR-GXDHUFHOSA-N	00000000101000110101100000000010000000000000000000000000	31-01-113605
N#C/C(=C/c1ccc(o1)c1cc(Cl)ccc1Cl)/c1nnc2n1CCCCC2	CoCoCo_3456441	399.273	UGQZTWSBOVJQEK-RAXLEYEMSA-N	00000000101000110101100000000010000000000000000000000000	31-01-113606
Brc1cc(F)c(NC(=O)CSc2n3CCCCCc3nn2)cc1	PC-id_7877399	399.281	NTAUGRYJOJEOJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113608
Clc1c(nc(Cl)cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_52638614	399.292	NJZYKFJEZQSQFZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-113609
COC(=O)c1c(NC(=O)c2ccc(nc2Cl)Cl)sc2c1CCCCC2	PC-id_138391944,EMOLS-id_323882488	399.292	OPNSGOHNPSPXAW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-113610
COC(=O)c1c(NC(=O)c2cnc(Cl)c(Cl)c2)sc2c1CCCCC2	ZINC22_327753184,PC-id_146160736,EMOLS-id_323880189	399.292	MYIUAWJSBHBRKO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-113611
O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1ncc(Cl)cc1Cl	PC-id_4842858,CoCoCo_2861316,EMOLS-id_3381949,ZINC22_5361820,GD-id_ZINC05361820,MCULE-7648411628	399.292	MJJGEEIFPQXAJW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-113612
CN(C)C(=O)c1nc2CCN(CCc2s1)C(=O)c1cnc(Cl)cc1Cl	EMOLS-id_313792306,ZINC22_1565554771	399.295	ZNRBBJBGBNFYTK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113613
Brc1ccc(cc1S(=O)(=O)N1CCCc2c(C1)cco2)N(C)C	EMOLS-id_99308915	399.303	FGZDUDVIJJXZAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113614
Brc1n2c(CN(CCC2)C)c(n1)C(=O)N[C@@H](C(C)(C)[CH2])C(=O)NC	PC-id_57737015	399.306	DWHZTKWOFKUNRJ-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113615
Brc1sc(C(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_16509492	399.322	LNWFDQPSWBPKEX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-113616
C1Cn2cc(nc2OCCN1CC(=O)Nc1ccc(cc1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14965644,PC-id_89580069	399.325	KZHAOLSOPHDILP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113617
C1Cn2cc(nc2OCCN1CC(=O)Nc1cccc(c1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14966065,PC-id_89580374	399.325	OPPUMXZQCGGGOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113618
Brc1n2c(CN(CCC2)C)c(n1)C(=O)CC(CC(C)(C)C)C(=O)N	PC-id_76657170	399.326	DZZZVEIBQBLAQF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113619
Brc1n2c(CN(CCC2)C)c(n1)C(=O)CC(C(C)(C)C)C(=O)NC	PC-id_76657174	399.326	ZNIUCJBIYIAAEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113620
Brc1n2c(CN(CCC2)C)c(n1)C(=O)C[C@@H](CC(C)(C)C)C(=O)N	PC-id_58135581	399.326	DZZZVEIBQBLAQF-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-113621
Brc1n2c(CN(CCC2)C)c(n1)C(=O)C[C@@H](C(C)(C)C)C(=O)NC	PC-id_58135585	399.326	ZNIUCJBIYIAAEI-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113622
Brc1scc(C(=O)NNC(=O)c2sc3CCCCCc3c2)c1	PC-id_46578397	399.326	VPQCTRYHBSNBLO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-113623
Brc1sc(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_9154610	399.326	QPJNPNUCZZRWSA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-113624
c1(NC(=O)c2ccc(Br)s2)sc2c(CCCCC2)c1C(=O)N	PC-id_4061766,EMOLS-id_4948551,MCULE-2630393438,ZINC22_4134724,ChEMBL-DNDi_CHEMBLF0816-0763,CoCoCo_5015397	399.326	PUMMPXWELNIUMZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-113625
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCCCC2)n1	EMOLS-id_334604155,MCULE-4722901397	399.335	UENXOJREXJLADH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113626
Clc1cc([C@@H](NC(=O)CSc2n3CCCCCc3nn2)C)ccc1Cl	PC-id_7876577	399.338	HSRXLCJEPZXWSP-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-113627
Clc1cc([C@H](NC(=O)CSc2n3CCCCCc3nn2)C)ccc1Cl	PC-id_7876578	399.338	HSRXLCJEPZXWSP-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113628
Clc1cc(C(NC(=O)CSc2n3CCCCCc3nn2)C)ccc1Cl	PC-id_78559202	399.338	HSRXLCJEPZXWSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113629
Clc1cc(CN(C(=O)CSc2n3CCCCCc3nn2)C)ccc1Cl	PC-id_8379253	399.338	CDXRAKSAFDRLLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113630
Clc1c(CCNC(=O)CSc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_7876760	399.338	VGLOYXUUCMNGKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113631
Clc1c([C@@H](NC(=O)CSc2n3CCCCCc3nn2)C)ccc(Cl)c1	PC-id_7877433	399.338	OZPQEAMEYFCTFR-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-113632
Clc1c([C@H](NC(=O)CSc2n3CCCCCc3nn2)C)ccc(Cl)c1	PC-id_7877434	399.338	OZPQEAMEYFCTFR-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113633
Clc1c(C(NC(=O)CSc2n3CCCCCc3nn2)C)ccc(Cl)c1	PC-id_24371239	399.338	OZPQEAMEYFCTFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113634
Clc1c(SC(C(=O)NCc2n3CCCCCc3nn2)C)cc(Cl)cc1	PC-id_60496844	399.338	XTXKVVDWELEWAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113635
Fc1ccc(cc1)S(=O)(=O)NC(=O)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14966229,PC-id_71571033	399.354	BKGGGVDBTOHXQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113636
N#Cc1c(NC(=O)NC(C(F)(F)F)(C(F)(F)F)C)sc2c1CCCCC2	PC-id_4059487,CoCoCo_6890764	399.355	BVCGOPVFCCWUPK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-113637
Cn1c(=O)n2CCC(CCc2n1)NC(=O)NCc1ccc(cc1)OC(F)(F)F	PC-id_91922672	399.368	LWZCZPWESUYITO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113638
COc1cc(C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)on1	ZINC22_1565556081,EMOLS-id_313764300	399.376	MQZDWPMYOGBEHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113639
CC1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C	SCHEMBL21327944,PC-id_139462808	399.387	UWNLOIYKZHYBDO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-113640
C[C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C	SCHEMBL18352780	399.387	UWNLOIYKZHYBDO-VIFPVBQESA-N	00000000100000110111000000000010000000000000000000000000	31-01-113641
CN1C=Cc2c(S(=O)(=O)C1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C	SCHEMBL21327943,PC-id_139462807	399.387	IYFNPEHBTLDFNT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-113642
O=C(c1cc2c(s1)CCCCC2)NNc1ccc(cc1[N+](=O)[O-])C(F)(F)F	PC-id_29409414,EMOLS-id_33335961,MCULE-6354652666	399.387	MFFSUJDFDHUKOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113643
Cn1c(nnc1SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O)C(F)(F)F	PC-id_135757048	399.394	ZHLXVRJGDVBLIR-KTKRTIGZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113644
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1n(c(nn1)C(F)(F)F)C	PC-id_84876658	399.394	CCPFVMPOBONRAB-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-113645
S(CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N)c1n(c(nn1)C(F)(F)F)C	PC-id_8937220	399.394	CCPFVMPOBONRAB-FMIVXFBMSA-N	00000011100000000111000000000010000000000000000000000000	31-01-113646
CC1CN=C(N1)C(=O)c1cn(c2c1C=CCC=C2)Cc1ccc(cc1)C(F)(F)F	PC-id_142219637	399.409	GBZYYEBXUARMSL-UHFFFAOYSA-N	00000011100000110111000000000010000000000000000000000000	31-01-113647
CCC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353394	399.412	ABYOJHBLDVGIMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113648
CC(C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)C	PC-id_140762769	399.412	PNSXZUVWHKOADI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113649
CC([C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	SCHEMBL21337293,PC-id_139471294	399.412	WLHOPCGBTUSYOC-IWSPRGBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113650
CC([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)C	SCHEMBL18352826	399.412	PNSXZUVWHKOADI-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113651
CC([C@@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)C	SCHEMBL18352828	399.412	PNSXZUVWHKOADI-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113652
C[C@@H](C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	PC-id_140762629	399.412	WLHOPCGBTUSYOC-CUVJYRNJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113653
C[C@H](C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	PC-id_140762651	399.412	WLHOPCGBTUSYOC-UCWRFOARSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113654
C[C@@H]([C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	SCHEMBL18352794	399.412	WLHOPCGBTUSYOC-LKFCYVNXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113655
C[C@H]([C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	SCHEMBL18353368	399.412	WLHOPCGBTUSYOC-YMTOWFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-113656
Fc1cc(C[NH+]2CCn3c(nnc3CNC(=O)c3ccncc3)CC2)cc(F)c1	PC-id_42340392	399.417	YHVFVVFWJOWRQY-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-113657
N1(CC(=O)Nc2sc3c(CCCCC3)n2)C(=O)c2c(cc(cc2)C(=O)O)C1=O	EMOLS-id_334605177,MCULE-9527209827	399.42	INKUSBVMAMRBOY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113658
N1(CC(=O)O)C(=O)c2c(cc(cc2)C(=O)Nc2sc3c(CCCCC3)n2)C1=O	EMOLS-id_334604921,MCULE-1914934578	399.42	IFOSHFJEMGEEHU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113659
O=C(OCc1nnc(c2ccc([N+](=O)[O-])cc2)o1)c1cc2c(s1)CCCCC2	PC-id_2539053,MCULE-4576758648,ZINC22_3419856,EMOLS-id_3308507,CoCoCo_2861301	399.42	BKBAGUOMNYRYPE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113660
s1c2CCCCCc2c(c1NC(=O)COc1c(cc([N+](=O)[O-])cc1)C=O)C#N	PC-id_38925832	399.42	ARYYQCDAOCOVTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113661
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1)C#N	PC-id_41592779	399.42	BNJMELHQQDRASH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113662
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])cccc1)C#N	PC-id_35686374	399.42	IBGLXQWMXFCXBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113663
N#Cc1ccc(c(c1)F)OC1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102161131	399.422	YGEQSLZMJWZTMB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113664
s1c2CCCCCc2cc1C(=O)NCC(O)c1ccc(OC(F)(F)F)cc1	PC-id_56219757	399.427	RCEUMGCIOMSKGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113665
O=C(c1noc2c1CCCCC2)N1CCCC(C1)c1scc(n1)C(F)(F)F	EMOLS-id_100167647	399.431	VVZYGTQRGFUJDE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-113666
O=C(c1noc2c1CCCCC2)N1CCC(CC1)c1scc(n1)C(F)(F)F	EMOLS-id_101298519	399.431	RFZUNGQHQVNBJU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-113667
O=C(C1CCn2c(CC1)nnc2)N1CCC(CC1)c1scc(n1)C(F)(F)F	EMOLS-id_316657247	399.434	RHCOPVWGJHAOGB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-113668
S(CC(=O)NCCc1n2CCCCCc2nn1)c1ncc(cc1)C(F)(F)F	PC-id_60445445	399.434	YLAIFHDJXUFJEH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113669
CN1C(=O)C(CCn2c1cc(n2)CCN1CC(C1)(F)F)NC(=O)OC(C)(C)C	SCHEMBL18367445	399.435	BFYMIQKYEAUYPC-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-113670
CCOC(=O)c1cc2c(n1Cc1cc(OC)ccc1OC)C(=O)C(=CO)CCC2	PC-id_122705201,SCHEMBL18250015	399.437	UYGPXOHCNVNAKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113671
O=C(N[C@@H](Cc1nccn1C(F)F)c1ccccc1)c1cnc2n1CCCCC2	ZINC22_1875268297	399.437	NMHRSUWTHLOJQE-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113672
O=C(N[C@H](Cc1nccn1C(F)F)c1ccccc1)c1cnc2n1CCCCC2	ZINC22_1875268298	399.437	NMHRSUWTHLOJQE-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113673
O=C(Oc1ccc2-c1ccccc2)CC[C@@H](C(=O)Oc1ccc2-c1ccccc2)N	PC-id_68634581,SCHEMBL3417218	399.439	QZCGGTZAFKEHBN-NRFANRHFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-113674
O(C(=O)C(N)CCC(=O)Oc1c2-c(cc1)ccccc2)c1c2-c(cc1)ccccc2	PC-id_77530984	399.439	QZCGGTZAFKEHBN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-113675
O=C1N(c2c([nH]c(c2)C(=O)O)[C@H](N[C@H]1CCC(=O)O)C(C)C)Cc1ccccc1	PC-id_53342636	399.44	IEIUGWGDLHNACE-KBXCAEBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113676
O=C1N(c2c([nH]c(c2)C(=O)O)[C@@H](N[C@H]1CCC(=O)O)C(C)C)Cc1ccccc1	PC-id_53343007	399.44	IEIUGWGDLHNACE-KSSFIOAISA-N	00000000100000110101000000000010000000000000000000000000	31-01-113677
O=C1N(c2c([nH]c(c2)C(=O)O)C(NC1CCC(=O)O)C(C)C)Cc1ccccc1	PC-id_76016767	399.44	IEIUGWGDLHNACE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113678
Cc1nc(C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)cs1	ZINC22_1565556042,EMOLS-id_313764044	399.442	VLFQDCMETUUSEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113679
C[NH+](C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)CC(=O)Nc1cc(ccc1)F	PC-id_135718329	399.442	MYTYRPFZENTZSP-MSUUIHNZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-113680
Fc1cc(NC(=O)C[NH+](CC(=O)C(=C2N3CCCCCC3=NN2)C#N)C)ccc1	PC-id_84851887	399.442	PMUVQSOMMXOMEJ-UHFFFAOYSA-O	00000011000000110111000000000010000000000000000000000000	31-01-113681
Fc1cc(NC(=O)C[NH+](CC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)C)ccc1	PC-id_8846656	399.442	PMUVQSOMMXOMEJ-CAPFRKAQSA-O	00000011000000110111000000000010000000000000000000000000	31-01-113682
c1(cn2c(CCN(CC2)C(=O)c2cc(C)nc(O)c2)n1)C(=O)N1CCCC1CO	MCULE-2902270393,EMOLS-id_331110456	399.444	XXMWAQGONCKPOX-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-113683
C1CN(CCC1c1ccccc1)C(=O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89579891,SCHEMBL14965417	399.444	HFHRORACMKXXCY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113684
Cc1ccc(CNC(=O)C2CCc3nn(Cc4c(C)noc4C)c(=O)n3CC2)o1	EMOLS-id_207876734,MCULE-9269463482	399.444	OUOXNBISSYBOGD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-113685
Cc1cc(C(=O)N2CCc3nc(C(=O)N4CCC[C@H]4CO)cn3CC2)cc(O)n1	ZINC22_1875250104	399.444	XXMWAQGONCKPOX-HNNXBMFYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-113686
Cc1cc(C(=O)N2CCc3nc(C(=O)N4CCC[C@@H]4CO)cn3CC2)cc(O)n1	ZINC22_1875250105	399.444	XXMWAQGONCKPOX-OAHLLOKOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-113687
COc1nc(ccc1NC(=O)c1coc2CCCNC(=O)c12)N1CCN(C)CC1	BindingDB-id_679584,BindingDB_PC-id_118252921,PC-id_118252921,SCHEMBL16931244	399.444	ONUDQEKVQVSRSY-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-113688
COCCNC(=O)CNC(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25387698,PC-id_46049873,MCULE-7046227106	399.444	QAVCEVZEMAHHQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113689
n12CCN(CCc1nnc2CNC(=O)COc1ccccc1)C(=O)C1CCCO1	EMOLS-id_29557810,PC-id_45207208,MCULE-5104345731	399.444	WGRJFWUXFCQXPE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113690
O=C(COc1ccccc1)NCc1nnc2n1CCN(C(=O)[C@@H]1CCCO1)CC2	ZINC22_12281364	399.444	WGRJFWUXFCQXPE-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113691
O=C(COc1ccccc1)NCc1nnc2n1CCN(C(=O)[C@H]1CCCO1)CC2	ZINC22_12281365	399.444	WGRJFWUXFCQXPE-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113692
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)C(=O)NCc1ccccc1	PC-id_10668618,BindingDB_PC-id_10668618,CHEMBL39386	399.444	KDSWXWMNXZPLLK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-113693
c12n(Cc3ccc(cc3)C=C)cnc1c(=O)[nH]c(N(C)Cc1ccccc1)nc2=O	PC-id_28250535,ZINC22_19641335,MCULE-6644080228,EMOLS-id_23822617,CoCoCo_1441939	399.445	NFUGNEVZYAFDCM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-113694
N#CC1=Cc2[nH]c(=O)n(c2CCC1)Cc1ccc(cc1)C(=O)Nc1ccccc1N	PC-id_143247628	399.445	UAQZZNYKDYBERX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-113695
c12nnnn1CCCCC2C(=O)N1CCCN(CC1)C(=O)c1nccc(OC)c1	PC-id_134705330,MCULE-1732904185,EMOLS-id_316146913	399.447	ICSGEWBXGMMCKE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113696
CNC(=O)CC1CCN(C1)C(=O)c1cn2CCN(CCc2n1)C(=O)c1cn[nH]c1	EMOLS-id_331091763	399.447	JNZXLFYXWAGJPS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-113697
CNC(=O)C[C@H]1CCN(C(=O)c2cn3c(n2)CCN(C(=O)c2cn[nH]c2)CC3)C1	ZINC22_1875248720	399.447	JNZXLFYXWAGJPS-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-113698
CNC(=O)C[C@@H]1CCN(C(=O)c2cn3c(n2)CCN(C(=O)c2cn[nH]c2)CC3)C1	ZINC22_1875248721	399.447	JNZXLFYXWAGJPS-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-113699
COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183318	399.447	IRZOGBKGHOJOCR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113700
COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)NC1CCn2c(CC1)nnn2	EMOLS-id_102183327	399.447	QGSSYURVCSEVKV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113701
COc1ccnc(C(=O)N2CCCN(C(=O)[C@H]3CCCCn4nnnc34)CC2)c1	ZINC22_1529158658	399.447	ICSGEWBXGMMCKE-HNNXBMFYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113702
COc1ccnc(C(=O)N2CCCN(C(=O)[C@@H]3CCCCn4nnnc34)CC2)c1	ZINC22_1529158659	399.447	ICSGEWBXGMMCKE-OAHLLOKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-113703
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1nn2c(n1)C1(CCCC1)OCC2	SCHEMBL18367028	399.447	UDSJEHPSFGEKPA-ZDUSSCGKSA-N	00000010100010000101000000000010000000000000000000000000	31-01-113704
n1c(Cc2ccccc2)nn2CCN(CCc12)C(=O)c1ccccc1n1cncn1	EMOLS-id_337791799,MCULE-2951569088,ZINC22_2356148735	399.448	PMZMLMXOKBYVEY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113705
C/C=CC(=C/C(=C)c1cccc(c1)OC(F)(F)F)c1[nH]c2c(c1)C(=C)CCCC2	PC-id_142916800	399.449	GAPCAYUJSKQAEE-JYZVJJHLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113706
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)C)F)C	SCHEMBL19702849	399.459	STIYEALBPGKKCS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-113707
Fc1cccc(c1)CC(=O)N1CCCN(CC1)C(=O)c1noc2c1CCCCC2	EMOLS-id_100092510	399.459	DSTNUMMEBDVVEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113708
Fc1ccc(cc1)C(=O)C1CCNC(C1)OC1CCN(C(=O)c2c1n(C)cc2)C	PC-id_141918508	399.459	PBQAFVQKHQBRQI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-113709
O=C(C1CCCCC1)Nc1cc(ccc1F)NC(=O)c1noc2c1CCCCC2	EMOLS-id_100928421	399.459	SEBKWFVWLUHSLC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113710
Cc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1ccccc2	PC-id_11741653,CHEMBL166847	399.46	XXVPAZLWLUUUIV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-113711
COC(=O)c1cc(c2-c1ccc(cc2)C(O)(C)C)NS(=O)(=O)c1ccccc1	PC-id_101676366	399.46	RDECNSQEWXDUAV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-113712
COC(=O)c1c(NC(=O)CC2OC(=O)c3c2cccc3)sc2c1CCCCC2	PC-id_56795806,MCULE-7153329955,EMOLS-id_37001746	399.46	RGYLGRQMLRAWDG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-113713
COC(=O)c1c(NC(=O)C[C@H]2OC(=O)c3ccccc23)sc2c1CCCCC2	ZINC22_71821164,PC-id_95580329	399.46	RGYLGRQMLRAWDG-OAHLLOKOSA-N	00000010100000100100000000001010000000000000000000000000	31-01-113714
COC(=O)c1c(NC(=O)C[C@@H]2OC(=O)c3ccccc23)sc2c1CCCCC2	ZINC22_71821165,PC-id_95580330	399.46	RGYLGRQMLRAWDG-HNNXBMFYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-113715
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1)cccc2OC)C(=O)OC	PC-id_40888549	399.46	BXNHXTGMESLDNK-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-113716
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1cc2OCOc2cc1)C(=O)OC	PC-id_3597371	399.46	VPQOEUWKTAJPFQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113717
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1cc2OCOc2cc1)C(=O)OC	PC-id_5871037	399.46	VPQOEUWKTAJPFQ-CSKARUKUSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113718
c12C(=O)N(CCCn1nc(C(=O)N1CCN(CC1)CC)c2)Cc1ccc(cc1)F	PC-id_50797878,EMOLS-id_32846170,MCULE-1365394285	399.462	MBRXXLYWNVJYNX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113719
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCCC1)c2)Cc1ccc(cc1)F	EMOLS-id_32846236,MCULE-7281871945,PC-id_50797869	399.462	DLBPULQXZSRNTQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113720
Cc1oc2cc(F)ccc2c1CCNC(=O)N[C@H](C)c1nnc2n1CCCCC2	ZINC22_2325811022	399.462	XYPIZLNGMRAWPQ-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113721
Fc1ccc(C(=O)N2CCC(CC2)C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_51185254	399.462	BCMFHZNAPOGFFR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113722
Fc1cc(CN2CCCn3nc(cc3C2=O)C(=O)NCCN2CCCC2)ccc1	PC-id_53007967	399.462	NXNICKCQGFRJQA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113723
Fc1ccc(N2CCN(CC2)CCN2CCC(=NO)c3c(n(cc3)C)C2=O)cc1	PC-id_10692308	399.462	UZLFJEYMDGANMJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113724
Fc1cc(c(NC(=O)C2C(C2)C)cc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_60544311	399.462	AZZYDLUORSTDLJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113725
O=C(N1CCCc2c(C1)cnn2C)NC1CCN(CC1)C(=O)c1ccccc1F	EMOLS-id_101723034	399.462	BDQHGHDASLJZBN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113726
O=C(N1CCCC(C1)C(=O)N1CCCc2c(C1)cnn2C)Nc1ccccc1F	EMOLS-id_101846440	399.462	AZPNGGZTRRGQST-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113727
O/N=C
/CCN(C(=O)c2c1ccn2C)CCN1CCN(CC1)c1ccc(cc1)F	PC-id_102005242	399.462	UZLFJEYMDGANMJ-NMWGTECJSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113728
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCCCCC2)c1C(=O)N	MCULE-1912721899,PC-id_5111938	399.463	HZGPJCUBZPKPTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113729
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCCCCC2)c1C(=O)N	MCULE-9850943505,PC-id_2933559	399.463	JYCRCUBPIBNIED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113730
CCOc1ncccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_2928769,ZINC22_5787418,PC-id_3607879,EMOLS-id_3085889,MCULE-1452170131	399.463	OJXAHMZADGPKIT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-113731
NC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)[N+](=O)[O-])sc2CCCCCCc12	TIMTEC207349,GD-id_ZINC15930947,CoCoCo_5822509,ZINC22_15930947,EMOLS-id_26498653	399.463	HZGPJCUBZPKPTE-XFXZXTDPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113732
NC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc2CCCCCCc12	TIMTEC253143,ZINC22_996953,SPECS-id_AK-968/12120672,PC-id_1221503,EMOLS-id_25952342,CoCoCo_907724	399.463	JYCRCUBPIBNIED-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113733
O=C(c1cc2c([nH]1)C=CN=CC2)NCc1ccc(cc1)S(=O)(=O)[C@@H]1COCC1	PC-id_145628662	399.463	ZCYNVRLSTRCBEW-KRWDZBQOSA-N	00000010100000110110000000000010000000000000000000000000	31-01-113734
O=C(Cn1c(=O)oc2c1cccc2)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_36989048,MCULE-8711300318,PC-id_25443615	399.463	BQTLJDODESNAGI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113735
O=C(Nc1sc2c(c1C(=O)N)CCCCCC2)/C=C/c1ccc(cc1)[N+](=O)[O-]	PC-id_6273463,CoCoCo_5822510	399.463	HZGPJCUBZPKPTE-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113736
O=C(Nc1sc2c(c1C(=O)N)CCCCCC2)/C=Cc1cccc(c1)[N+](=O)[O-]	PC-id_92928834,CoCoCo_907725	399.463	JYCRCUBPIBNIED-KHPPLWFESA-N	00000000100000110100000000000010000000000000000000000000	31-01-113737
s1c2CCCCCc2cc1C(=O)NNC(=O)CCn1c2c(oc1=O)cccc2	PC-id_8409383	399.463	GKTKAWMOYVZWJO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113738
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1)C	PC-id_8254771	399.463	OIFXBYPZDQWHAX-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-113739
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1)C	PC-id_8254774	399.463	OIFXBYPZDQWHAX-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113740
s1c2c(CCCCC2)c(c1NC(=O)c1c2c(onc2C)nc(c1)C)C(=O)OC	PC-id_52598467	399.463	USIRUFINPYGQJK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113741
s1c2c(CCCCC2)c(c1NC(=O)c1oc(Cn2nccc2)cc1)C(=O)OC	PC-id_55763012	399.463	MCTPDNQUJWBWHL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-113742
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NC	PC-id_7475083	399.463	FQBPXSOYYNQMJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113743
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C(=O)NC	PC-id_7475071	399.463	JBXFTONBMOAIEF-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113744
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C(=O)NC	PC-id_78487960	399.463	JBXFTONBMOAIEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113745
s1c2CCCCCc2c(c1NC(=O)[C@@H](Oc1cc(c([N+](=O)[O-])cc1)C)C)C#N	PC-id_9384282	399.463	DLLDEBURICEWHC-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113746
s1c2CCCCCc2c(c1NC(=O)[C@H](Oc1cc(c([N+](=O)[O-])cc1)C)C)C#N	PC-id_9384283	399.463	DLLDEBURICEWHC-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113747
s1c2CCCCCc2c(c1NC(=O)[C@@H](Oc1c([N+](=O)[O-])cc(cc1)C)C)C#N	PC-id_8941381	399.463	SHMFAPVBKBIMAO-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113748
s1c2CCCCCc2c(c1NC(=O)[C@H](Oc1c([N+](=O)[O-])cc(cc1)C)C)C#N	PC-id_8941385	399.463	SHMFAPVBKBIMAO-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113749
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1[nH]cc(c1)C(=O)C)C)C#N	PC-id_9386431	399.463	YJKYQWZQFZXZBZ-LBPRGKRZSA-N	00000000110000000100000000000010000000000000000000000000	31-01-113750
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1[nH]cc(c1)C(=O)C)C)C#N	PC-id_9386432	399.463	YJKYQWZQFZXZBZ-GFCCVEGCSA-N	00000000110000000100000000000010000000000000000000000000	31-01-113751
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)Cn1c(=O)cccc1)C)C#N	PC-id_8987547	399.463	IOGDPJFLYGFVSV-ZDUSSCGKSA-N	00000000100000101100000000000010000000000000000000000000	31-01-113752
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)Cn1c(=O)cccc1)C)C#N	PC-id_8987550	399.463	IOGDPJFLYGFVSV-CYBMUJFWSA-N	00000000100000101100000000000010000000000000000000000000	31-01-113753
s1c2CCCCCc2c(c1NC(=O)C(Oc1cc(c([N+](=O)[O-])cc1)C)C)C#N	PC-id_24500735	399.463	DLLDEBURICEWHC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113754
s1c2CCCCCc2c(c1NC(=O)C(Oc1c([N+](=O)[O-])cc(cc1)C)C)C#N	PC-id_24498102	399.463	SHMFAPVBKBIMAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113755
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1[nH]cc(c1)C(=O)C)C)C#N	PC-id_84998161	399.463	YJKYQWZQFZXZBZ-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-113756
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cn1c(=O)cccc1)C)C#N	PC-id_84892394	399.463	IOGDPJFLYGFVSV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-113757
s1c2CCCCCCc2cc1C(=O)NNC(=O)C=Cc1cc([N+](=O)[O-])ccc1	PC-id_85009914	399.463	IGVUQEVIDYLORA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113758
s1c2CCCCCCc2cc1C(=O)NNC(=O)/C=C/c1cc([N+](=O)[O-])ccc1	PC-id_9441677	399.463	IGVUQEVIDYLORA-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113759
s1c2CCCCCCc2cc1C(=O)NNC(=O)C=Cc1c([N+](=O)[O-])cccc1	PC-id_85009911	399.463	HTRHDHKFGBIJRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113760
s1c2CCCCCCc2cc1C(=O)NNC(=O)/C=C/c1c([N+](=O)[O-])cccc1	PC-id_9441665	399.463	HTRHDHKFGBIJRI-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113761
s1c2c(nc1Oc1cc3c(n(c(c3C(=O)OCC)C)C)cc1)CCCNC2=O	PC-id_6426533	399.463	ILOTUIDXRDUFKN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-113762
CC(C(=O)Nc1ncnc2c1nc[nH]2)OC(=O)c1sc2c(c1)CCCCCC2	PC-id_42929467,MCULE-9932715299,EMOLS-id_25001313	399.467	GRUKJXBLJVZAOD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113763
C[C@H](OC(=O)c1cc2c(s1)CCCCCC2)C(=O)Nc1ncnc2nc[nH]c12	CoCoCo_4453897,PC-id_33490196,ZINC22_26235366,CoCoCo_4453899	399.467	GRUKJXBLJVZAOD-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-113764
C[C@@H](OC(=O)c1cc2c(s1)CCCCCC2)C(=O)Nc1ncnc2nc[nH]c12	ZINC22_26235362,CoCoCo_4453898,PC-id_33490192,CoCoCo_4453896	399.467	GRUKJXBLJVZAOD-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113765
COC(=O)/C(=C(CSc1nnc2n1CCCCC2)/O)/c1nc2ccccc2[nH]1	PC-id_135766341	399.467	LETCXRBRRJDCNR-JQIJEIRASA-N	00000000100000100101000001000010000000000000000000000000	31-01-113766
COC(=O)C(=C(CSc1nnc2n1CCCCC2)O)c1nc2ccccc2[nH]1	PC-id_137319384	399.467	LETCXRBRRJDCNR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113767
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1nc(COc2ccccc2)cs1	EMOLS-id_324062465,ZINC22_1119233107,PC-id_146088143,MCULE-5020570919	399.467	SACZGDRGGKPSBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113768
s1c2c(CCCCC2)c(c1NC(=O)c1nn2c(n1)nc(cc2C)C)C(=O)OC	PC-id_55697763	399.467	GCURNZFLZLOADJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113769
s1c2CCCCCc2c(c1NC(=O)COC(=O)CN(C)c1ncccn1)C#N	PC-id_30906165	399.467	NDKWNTCWOLBKIZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-113770
S(c1n2CCCCCc2nn1)CC(=O)C(=C1NC2C(=N1)C=CC=C2)C(=O)OC	PC-id_78559223	399.467	ZLVRLLGIHIGKJC-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-113771
S(c1n2CCCCCc2nn1)CC(=O)C(=C1Nc2c(N1)cccc2)C(=O)OC	PC-id_7876802	399.467	JBBFVGKZLMWGJM-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-113772
Cc1nsc2c1N(C(=O)[C@H](CN2)NC(=O)c1n[nH]c(n1)CC1=CCCC=C1)C	SCHEMBL19037435,PC-id_137213123	399.47	BEGVTHYLKADCHD-LBPRGKRZSA-N	00000000100011000101000000000010000000000000000000000000	31-01-113773
Cn1cnc(C(=O)N2CCc3nc(C(=O)NCc4cccs4)n(C)c3CC2)n1	EMOLS-id_313768399,ZINC22_1565555431	399.47	AEBLIXJCPGGQDP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-113774
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](C(F)(F)F)C1	ZINC22_14924244	399.474	CFMKXUUFCOZBSA-CHWSQXEVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-113775
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](C(F)(F)F)C1	ZINC22_14924246	399.474	CFMKXUUFCOZBSA-QWHCGFSZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-113776
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](C(F)(F)F)C1	ZINC22_84001865,PC-id_97001480	399.474	CFMKXUUFCOZBSA-STQMWFEESA-N	00000000100010000100000000000010000000000000000000000000	31-01-113777
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](C(F)(F)F)C1	ZINC22_84001867,PC-id_97001481	399.474	CFMKXUUFCOZBSA-OLZOCXBDSA-N	00000000100010000100000000000010000000000000000000000000	31-01-113778
N#Cc1c(NC(=O)C(N2CCCC(C2)C(F)(F)F)C)sc2c1CCCCC2	PC-id_71901424,EMOLS-id_44518384,MCULE-1853086947	399.474	CFMKXUUFCOZBSA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-113779
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC(CCC1)C(F)(F)F)C#N	PC-id_24428268	399.474	QBYKHQXOVOMCNF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-113780
CCCCCc1c(NC(=O)C)c(c2-c1ccc(cc2)CC(=O)OC)C(=O)OCC	PC-id_141580514	399.48	XKNVVLFPCBWQMF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-113781
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1c2c([nH]c1C)ccc(F)c2	PC-id_31974015	399.482	DRZOPGSLQNVYHK-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-113782
c1(C(=O)Nc2ccc(cc2)C(=O)OCCN(CC)CC)c2CCCCCc2on1	PC-id_20923853,EMOLS-id_16234799,MCULE-3677510502,CoCoCo_2401396	399.483	WOFSLFNSHVLIHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113783
CCc1nn(c2c1C(=O)NCCCOCCC2)CCCOC(=O)c1ccccc1	PC-id_135141666,SCHEMBL20288695	399.483	WQXJGOLSRMTQMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113784
COc1cc(NC2CCCN(C2)C(=O)c2noc3c2CCCCC3)cc(c1)OC	EMOLS-id_101041783	399.483	GPYBUROLYDQKRT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113785
O1CCN(CC1)C(=O)CONC(=O)Cc1ccc2-c(c(c(c2CC)N)CC)cc1	PC-id_57224010	399.483	TYNGYLQDMIFELF-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-113786
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)Nc1ccccc1	PC-id_27522320	399.483	MMZRDEIFTHURSA-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-113787
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_3493334	399.483	QKQJKRSKGNIZGI-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-113788
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)NCc1ccccc1	PC-id_27522334	399.483	CPSXQXGIQFTEPV-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-113789
Cc1c(ccc(c1)c1nn(c(n1)C)CC(=O)N1CCc2c(CC1)sc(n2)C)F	SCHEMBL15024407,PC-id_89623160	399.485	MKWSZKZHCCOCIY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113790
Cc1cc(nn1CC(=O)N1CCc2c(CC1)sc(n2)N)c1cc(c(cc1)F)C	PC-id_89607813,SCHEMBL15001884	399.485	JCFGNCAJELHFIO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113791
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)N)c1ccc(cc1)F	SCHEMBL15001965,PC-id_89607882	399.485	NZVLFIMPYJMXOR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113792
Fc1ccc(cc1)C(c1nccn1C)NC(=O)Nc1nc2c(s1)CCCCC2	PC-id_102556072	399.485	MFTZFTYZXKHPLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113793
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4cccs4)CCn23)c1	PC-id_26316491,CoCoCo_1427161,CoCoCo_1427160,ZINC22_14951056,MCULE-7022978620,EMOLS-id_20606015	399.485	QPKXLMJHKONUTF-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-113794
n12CCN(CCc1nnc2CNC(=O)Cc1cccc(F)c1)Cc1ccsc1	EMOLS-id_20476655,CoCoCo_1237869,PC-id_42236652,ZINC22_11869059,MCULE-3514087064,CoCoCo_1237870	399.485	WNRASGOYVLDZRI-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-113795
s1cc(CN2CCn3c(nnc3CCNC(=O)c3ccc(F)cc3)CC2)cc1	PC-id_42398890	399.485	CZVFQRRIHSLUSY-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-113796
c12CN(CCCn1nc(CNC(=O)CCc1ccc(cc1)OC)c2)C(=O)N(C)C	MCULE-3933274102,PC-id_72893407,EMOLS-id_46065341,ZINC22_91665385	399.487	ISUFPCIQQVPJDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113797
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1ccc(cc1)c1ccccc1	PC-id_90625667	399.487	GTZQBCFSOMTZPF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-113798
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc4c(OCO4)c3)CCn12	ChEMBL-DNDi_CHEMBL25552416,PC-id_45190796,EMOLS-id_20487987,MCULE-8862401654	399.487	PXHDLYHOAVJRAT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113799
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3ccc(c(OC)c3)OC)CCn12	MCULE-6662540278,ChEMBL-DNDi_CHEMBL22781769,PC-id_45187315,EMOLS-id_20472881	399.487	SXAGBUMOUWMSAB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113800
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3cccc(OC)c3OC)CCn12	MCULE-7609659534,ChEMBL-DNDi_CHEMBL35079501,PC-id_45201456,EMOLS-id_20534883	399.487	QMYCEPOHNVBLQV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113801
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(cc3)C(=O)OC)CCn12	ChEMBL-DNDi_CHEMBL14591828,MCULE-9573950503,PC-id_45175343,EMOLS-id_20421309	399.487	ADVQRWJGRWXKAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113802
c1(cn2c(CCN(C(=O)C3CCOCC3)CC2)n1)C(=O)N1CCCC(C)(C#N)C1	EMOLS-id_331099674,MCULE-4138332042	399.487	SBDSEIPGOIPXOR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-113803
Cc1ccc(OCC(=O)N2CCc3nnc(CCNC(=O)C(C)C)n3CC2)cc1	PC-id_42369774,MCULE-2153193981,CoCoCo_1306847,ZINC22_12038605,EMOLS-id_20524579,ChEMBL-DNDi_CHEMBL32883489	399.487	RKKUALIEQMPXQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113804
C[C@@]1(C#N)CCCN(C(=O)c2cn3c(n2)CCN(C(=O)C2CCOCC2)CC3)C1	ZINC22_1875243678	399.487	SBDSEIPGOIPXOR-NRFANRHFSA-N	00000000100010000101000000000010000000000000000000000000	31-01-113805
C[C@]1(C#N)CCCN(C(=O)c2cn3c(n2)CCN(C(=O)C2CCOCC2)CC3)C1	ZINC22_1875243679	399.487	SBDSEIPGOIPXOR-OAQYLSRUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-113806
CCC(c1ccccc1OCC(=O)N(C)C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_319224463	399.487	RHKBDGHHWLYBDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113807
C/C(=C/c1ccco1)/CN1CCc2n(CC1)c(nn2)CCNC(=O)[C@H]1CCCO1	CoCoCo_1254032,CoCoCo_1254036	399.487	QNMMKVIBRSBYOJ-HRYDCMBCSA-N	00000010101000000101000000000010000000000000000000000000	31-01-113808
C/C(=Cc1ccco1)/CN1CCc2n(CC1)c(nn2)CCNC(=O)[C@H]1CCCO1	CoCoCo_1254033,CoCoCo_1254037	399.487	QNMMKVIBRSBYOJ-QRURKXGXSA-N	00000010101000000101000000000010000000000000000000000000	31-01-113809
C/C(=C/c1ccco1)/CN1CCc2n(CC1)c(nn2)CCNC(=O)[C@@H]1CCCO1	CoCoCo_1254034,CoCoCo_1254038	399.487	QNMMKVIBRSBYOJ-BROZXCPCSA-N	00000010101000000101000000000010000000000000000000000000	31-01-113810
C/C(=Cc1ccco1)/CN1CCc2n(CC1)c(nn2)CCNC(=O)[C@@H]1CCCO1	CoCoCo_1254035,CoCoCo_1254039	399.487	QNMMKVIBRSBYOJ-ZWFBASDOSA-N	00000010101000000101000000000010000000000000000000000000	31-01-113811
CC(CC(c1nnc2n1CCN(CC2)Cc1ccc2c(c1)OCO2)NC(=O)C)C	PC-id_45221434,ChEMBL-DNDi_CHEMBL56180522	399.487	CAPBJPGKBXOBPE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113812
C=C/C=CC(=C/C)OCC1CN(C)C=c2c(=N1)n(C)c(=O)n2CC(=O)N1CCC1	SCHEMBL18773691	399.487	GYSNJEOPQZJLPQ-FJGJKEDSSA-N	00001000100000000111000000000010000000000000000000000000	31-01-113813
CC(C[C@H](c1nnc2n1CCN(CC2)Cc1ccc2c(c1)OCO2)NC(=O)C)C	CoCoCo_1448894,CoCoCo_1448895,PC-id_26323588	399.487	CAPBJPGKBXOBPE-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113814
CC(C[C@@H](c1nnc2n1CCN(CC2)Cc1ccc2c(c1)OCO2)NC(=O)C)C	CoCoCo_1448897,CoCoCo_1448896,PC-id_26323591	399.487	CAPBJPGKBXOBPE-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113815
CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1	MCULE-6293904533,PC-id_26063761,CoCoCo_4559880,EMOLS-id_25023495,ZINC22_14370612	399.487	LLGBYBBCYRMFRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113816
CC(C)C(=O)NCCc1nnc2CCN(CCn12)C(=O)CCOc1ccccc1	ZINC22_12327352,EMOLS-id_20663705,MCULE-1743752079,CoCoCo_1514781,PC-id_42538528	399.487	MNWYADAXKSBULH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113817
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2)C(C)C	CoCoCo_1254119,ZINC22_11980676,PC-id_42330722,CoCoCo_1254120	399.487	PXHDLYHOAVJRAT-FQEVSTJZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113818
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2)C(C)C	PC-id_42330727,CoCoCo_1254118,CoCoCo_1254117,ZINC22_11980680	399.487	PXHDLYHOAVJRAT-HXUWFJFHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-113819
CCn1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)c3cnc4n3CCCCC4)CC1)O2	ZINC22_1875394564	399.487	NLZQJVNFFWQNMT-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-113820
CCn1cc2c(n1)[C@H](O)CC1(CCN(C(=O)c3cnc4n3CCCCC4)CC1)O2	ZINC22_1875394565	399.487	NLZQJVNFFWQNMT-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-113821
CCn1cc2c(n1)C(O)CC1(O2)CCN(CC1)C(=O)c1cnc2n1CCCCC2	PC-id_146115075,MCULE-7605288274,EMOLS-id_323973352	399.487	NLZQJVNFFWQNMT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-113822
CCN(C(=O)c1ccc(cc1)CNC(=O)Cn1nc2n(c1=O)CCCCC2)CC	PC-id_86981240	399.487	BHBGZXQLRKHKFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113823
CN(C1CCc2nn(c(=O)n2CC1)CC1CC1)C(=O)NCc1ccc(cc1)OC	PC-id_91922745	399.487	RPOIPGVGXUHZMG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113824
COc1ccccc1C(=O)NCCC(=O)NCCCc1nnc2n1CCCCC2	MCULE-5760983706,EMOLS-id_42872139,ZINC22_72301234,PC-id_72147389	399.487	DDILOLKLNTVABS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113825
COc1ccc(cc1)C(=O)NC(C(=O)NCc1nnc2n1CCCCC2)C(C)C	PC-id_42897276,MCULE-7694527726,EMOLS-id_24970648	399.487	LRBZMLIGYDHWPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113826
COc1cccc(c1)OCCN1CCN(CC1)C(=O)C1CCn2c(CC1)nnc2	MCULE-2498878179,EMOLS-id_320201741	399.487	DHLAHGGHKPFPNH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113827
COc1cccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)c1	MCULE-5417041411,PC-id_45195334,EMOLS-id_20508067	399.487	PNXZYGYBDICEKE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113828
COc1cccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c1	ZINC22_20774991,CoCoCo_1282825,PC-id_29149918,CoCoCo_1282827	399.487	PNXZYGYBDICEKE-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113829
COc1cccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c1	ZINC22_20774994,PC-id_29149919,CoCoCo_1282824,CoCoCo_1282826	399.487	PNXZYGYBDICEKE-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113830
COc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)c1OC	ZINC22_12135642,CoCoCo_1321675,CoCoCo_1321674,PC-id_42425138	399.487	QMYCEPOHNVBLQV-CQSZACIVSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113831
COc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)c1OC	ZINC22_12135643,CoCoCo_1321676,PC-id_42425140,CoCoCo_1321677	399.487	QMYCEPOHNVBLQV-AWEZNQCLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113832
COc1cccc(CN2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)c1	EMOLS-id_313736410,ZINC22_1203820112	399.487	DICDAJLPIZFRTJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113833
COc1cccc(CNC(=O)N(C)C2CCc3nn(CC4CC4)c(=O)n3CC2)c1	PC-id_91922743,EMOLS-id_50586813	399.487	RIHYMDGUSHPHNB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113834
COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c(O)c1	ZINC22_20601296,PC-id_29088584,EMOLS-id_20503197,CoCoCo_1275995,CoCoCo_1275994,MCULE-7243644080	399.487	OTNWTDMICSUTQH-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-113835
COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)cc1	MCULE-5131483455,EMOLS-id_20514621,PC-id_45196821	399.487	SEYZNEJEZWJXPN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113836
COc1ccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc1	CoCoCo_1292464,ZINC22_20779717,CoCoCo_1292462	399.487	SEYZNEJEZWJXPN-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113837
COc1ccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)cc1	CoCoCo_1292465,CoCoCo_1292463,ZINC22_20779713	399.487	SEYZNEJEZWJXPN-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113838
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)cc1OC	CoCoCo_1232608,ZINC22_11814914,CoCoCo_1232607,PC-id_42191536	399.487	SXAGBUMOUWMSAB-CQSZACIVSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113839
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)cc1OC	CoCoCo_1232610,PC-id_42191538,ZINC22_11814915,CoCoCo_1232609	399.487	SXAGBUMOUWMSAB-AWEZNQCLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113840
COc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c(OC)c1	CoCoCo_4526296,EMOLS-id_13452948,PC-id_17440476,ZINC22_23995506,MCULE-8069409729	399.487	RKHGJAZTTACEAY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113841
COc1ccc(C(=O)N[C@@H](C(=O)NCc2nnc3n2CCCCC3)C(C)C)cc1	CoCoCo_4625729,PC-id_40138834,ZINC22_32902604	399.487	LRBZMLIGYDHWPS-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113842
COc1ccc(C(=O)N[C@H](C(=O)NCc2nnc3n2CCCCC3)C(C)C)cc1	ZINC22_32902603,CoCoCo_4625728,PC-id_40138833	399.487	LRBZMLIGYDHWPS-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-113843
COc1cc(CN2CCc3n(CC2)c(nn3)[C@H](NC(=O)C2CC2)C)cc(c1)OC	CoCoCo_1144205,CoCoCo_1144204,PC-id_42405399	399.487	MZJSCXYEIBAYDG-CQSZACIVSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113844
COc1cc(CN2CCc3n(CC2)c(nn3)[C@@H](NC(=O)C2CC2)C)cc(c1)OC	CoCoCo_1144207,PC-id_42405401,CoCoCo_1144206	399.487	MZJSCXYEIBAYDG-AWEZNQCLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113845
COc1cc(CN2CCc3n(CC2)c(nn3)C(NC(=O)C2CC2)C)cc(c1)OC	PC-id_45172580,ChEMBL-DNDi_CHEMBL12904468	399.487	MZJSCXYEIBAYDG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113846
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)CN(C)C(C)C)CCC3)cc1	EMOLS-id_313764297,ZINC22_1565556489	399.487	KEFQLOYMZZHRBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113847
COc1ccc(OCC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	ZINC22_24002398,PC-id_17443258,EMOLS-id_13456334,CoCoCo_4526304,MCULE-5219798010	399.487	RMUHJBKSLXMRCD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113848
COc1cc(NC2CCN(CC2)C(=O)C2CCn3c(CC2)nnc3)cc(c1)OC	EMOLS-id_319680748	399.487	WSZFTDGUHXVYKQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113849
COc1cc(OC)ccc1CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)C1CC1)C	CoCoCo_1310289,CoCoCo_1310288,PC-id_42372089	399.487	OWKJMXIRYIKKAV-CQSZACIVSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113850
COc1cc(OC)ccc1CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)C1CC1)C	CoCoCo_1310290,CoCoCo_1310291,PC-id_42372092	399.487	OWKJMXIRYIKKAV-AWEZNQCLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113851
COc1cc(OC)ccc1CN1CCc2n(CC1)c(nn2)C(NC(=O)C1CC1)C	ChEMBL-DNDi_CHEMBL33398262,PC-id_45199611	399.487	OWKJMXIRYIKKAV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113852
COCc1ccc(o1)C(=O)NCc1nnc2n1CCN(CC2)CC1CCC=CC1	ChEMBL-DNDi_CHEMBL13181837	399.487	OKZRXYUPGBCFFN-UHFFFAOYSA-N	00000000101011000101000000000010000000000000000000000000	31-01-113853
COCCNC(=O)c1cccc(NC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)c1	ZINC22_663184199,EMOLS-id_316876780,MCULE-6096858973	399.487	FCZYYEKFAXDGGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113854
COC(=O)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1	CoCoCo_1160528,PC-id_28312231,ZINC22_19744098,CoCoCo_1160527	399.487	ADVQRWJGRWXKAZ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113855
COC(=O)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1	ZINC22_19744100,PC-id_28312232,CoCoCo_1160529,CoCoCo_1160530	399.487	ADVQRWJGRWXKAZ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113856
N#Cc1c(NC(=O)C[N@@H+](Cc2cccc(c2)[N+](=O)[O-])C)sc2c1CCCCC2	GD-id_ZINC26737476	399.487	POSXXIBCSXBOTA-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-113857
O1C(CCC1)C(=O)NCCc1n2CCN(CCc2nn1)C/C(=C/c1occc1)/C	PC-id_45190786	399.487	QNMMKVIBRSBYOJ-JQIJEIRASA-N	00000010101000000101000000000010000000000000000000000000	31-01-113858
O1C(CCC1)C(=O)NCCc1n2CCN(CCc2nn1)CC(=Cc1occc1)C	PC-id_75099641	399.487	QNMMKVIBRSBYOJ-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-113859
O=C(C1CCn2c(CC1)nnc2)NCc1ccccc1OCCN1CCOCC1	EMOLS-id_319755308	399.487	WPFVAWYMXIPQMA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113860
O=C(C1CCn2c(CC1)nnc2)NCc1cccc(c1)OCCN1CCOCC1	MCULE-2627510444,EMOLS-id_320240994	399.487	HPKKKWFLFBLKDU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113861
O=C(Cn1nc2n(c1=O)CCCCC2)NCc1ccccc1CN1CCOCC1	ZINC22_29438771,EMOLS-id_320298488,MCULE-1819955344	399.487	MLIXLCOKJMDBHR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113862
OCCOc1ccc(cc1)CN1CCn2c(CC1)nnc2[C@H](NC(=O)C1CC1)C	CoCoCo_1175576,CoCoCo_1175577	399.487	MEUKGEKOMXQPAP-OAHLLOKOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113863
OCCOc1ccc(cc1)CN1CCn2c(CC1)nnc2[C@@H](NC(=O)C1CC1)C	CoCoCo_1175578,CoCoCo_1175579	399.487	MEUKGEKOMXQPAP-HNNXBMFYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113864
OCCOc1ccc(cc1)CN1CCn2c(CC1)nnc2C(NC(=O)C1CC1)C	PC-id_45177859,ChEMBL-DNDi_CHEMBL16187513	399.487	MEUKGEKOMXQPAP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-113865
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc(OC)cc(OC)c1	PC-id_51308072	399.487	LQSZZIKWTPMIMV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113866
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc(OC)c(OC)cc1	PC-id_46691928	399.487	RJMNLCADLNOUQC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113867
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(OC)c(OC)ccc1	PC-id_51308071	399.487	SKLSSNPSCSXXDY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113868
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)COc1c(OC)cccc1	PC-id_51317228	399.487	OKHDHCFUBZRFCQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113869
O=C(NC(Cc1ccccc1)CCC(=O)O)NCCc1nnc2n1CCCCC2	PC-id_121993718	399.487	RHJANQCLQNQUGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113870
O=C(NCCc1n2CCCCCc2nn1)CCCNC(=O)OCc1ccccc1	PC-id_60496417	399.487	YTQZNEIUZGOLPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113871
O=C(NCCc1n2CCN(CCc2nn1)C(=O)c1c(occ1)C)C1CCCCC1	PC-id_42355756	399.487	BCIRMRNJIGBHJK-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-113872
O=C(N[C@@H](c1nnc2n1CCCCC2)C)NC(Cc1ccccc1)CCC(=O)O	PC-id_122000919	399.487	SIUAMKOCSIMHFM-LDCVWXEPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113873
C1CN(CCn2c1ncc2C(=O)NCc1ccccc1)Cc1c[nH]c2ccccc12	PC-id_134806493	399.488	UIGSSMMSNKTPAU-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-113874
c1(C(=O)Nc2ccc3c(c2)nc([nH]3)CCc2ccccc2)c2CCCCCc2[nH]n1	MCULE-9129112172,EMOLS-id_323248571	399.488	ZFOLJZVPQQIULR-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-113875
c1(C(=O)NC(Cc2ccccc2)c2[nH]c3c(cccc3)n2)c2CCCCCc2[nH]n1	MCULE-6284587726,EMOLS-id_323251897	399.488	XKFZOXPNQBDFQD-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-113876
Cc1[nH]c2ccccc2c1CC(=O)N1CCc2nnc(Cc3ccccc3)n2CC1	MCULE-6963978852,EMOLS-id_20644589,ZINC22_12217204,CoCoCo_1485535,PC-id_42470877,ChEMBL-DNDi_CHEMBL63194500	399.488	MGEGOBIELSNGCY-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-113877
O(c1c(cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1C)C)Cc1ncccc1	PC-id_43071387	399.488	SHKILQKBPADPNF-XSFVSMFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-113878
O(c1c(cc(C=C(c2n3CCCCCc3nn2)C#N)cc1C)C)Cc1ncccc1	PC-id_74856369	399.488	SHKILQKBPADPNF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-113879
O=C(c1ccccc1)NC(c1nnc2n1CCCCC2)Cc1c[nH]c2c1cccc2	PC-id_4101282,ChEMBL-DNDi_CHEMBL1741663	399.488	HBTZPLWKUHURCV-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-113880
O=C(N1CCn2c(CC1)nnc2Cc1ccccc1)CCc1c[nH]c2c1cccc2	ChEMBL-DNDi_CHEMBL31669813	399.488	IDFLGKRLVILCQU-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-113881
O=C(NCc1n2CCCCCc2nn1)c1c2c(n(c1)Cc1ccccc1)cccc2	PC-id_24676713	399.488	AWTIFEPIXFNSNQ-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-113882
O=C(N[C@H](c1n2CCCCCc2nn1)Cc1c2c([nH]c1)cccc2)c1ccccc1	PC-id_7740518	399.488	HBTZPLWKUHURCV-NRFANRHFSA-N	00000000100000110101000001100010000000000000000000000000	31-01-113883
O=C(N[C@@H](c1n2CCCCCc2nn1)Cc1c2c([nH]c1)cccc2)c1ccccc1	PC-id_7740521	399.488	HBTZPLWKUHURCV-OAQYLSRUSA-N	00000000100000110101000001100010000000000000000000000000	31-01-113884
c1(C(C(C)C)NC(=O)c2cccnc2N2CCOCC2)nnc2CCNCCn12	EMOLS-id_36441146,MCULE-5363963859,PC-id_56710600	399.49	UECROYCMYLYKBP-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-113885
CC(C)[C@H](NC(=O)c1cccnc1N1CCOCC1)c1nnc2n1CCNCC2	PC-id_95217153,ZINC22_67846962	399.49	UECROYCMYLYKBP-KRWDZBQOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-113886
CC(C)[C@@H](NC(=O)c1cccnc1N1CCOCC1)c1nnc2n1CCNCC2	ZINC22_67846963,PC-id_95217154	399.49	UECROYCMYLYKBP-QGZVFWFLSA-N	00000000100010101101100000000010000000000000000000000000	31-01-113887
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)C(=O)c1ccco1	PC-id_111166103	399.49	JSTOVECQDSYZOH-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-113888
O=C(NCc1ccccc1)c1nc2CCN(CCc2s1)C(=O)c1csnn1	ZINC22_1146816092,EMOLS-id_313725142	399.49	ODXUZRKYZWLYRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113889
s1c2c(CCCCC2)c(c1NC(=O)c1nc(sc1)c1ncccn1)C(=O)N	PC-id_60529576	399.49	YSPHTYJOXAIFIH-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-113890
c1cncc(Cc2nnc3n2CCN(Cc2cccc(Cn4cccn4)c2)CC3)c1	MCULE-3874028992,EMOLS-id_232856454,ZINC22_829073526	399.491	VGFLPHQJKOWPFH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-113891
CC(c1cccc2-c(c1)ccc2C(NCCCc1cccc(c1)C(F)(F)F)C)C	PC-id_68813377,SCHEMBL3850800	399.492	OPNHHBWZNQKVBR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-113892
C1CCc2nnc(n2CC1)/C(=C(/CSc1n[nH]c(n1)c1cccs1)O)/C#N	PC-id_135847386	399.493	XLXPLMMAZXFIKZ-QXMHVHEDSA-N	00000000100100000101100000000010000000000000000000000000	31-01-113893
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(C(=O)C1)c1cnn(c1)C	PC-id_109433001	399.493	BDSNFSDHJAIHOO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-113894
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1nc([nH]n1)c1sccc1	PC-id_78675522	399.493	QXTDSUXRJFGCIU-UHFFFAOYSA-N	00000011100100000111100000000010000000000000000000000000	31-01-113895
S(CC(=O)/C(=C
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C/C/1=C/c2cc(c(o2)C[C@H](CCC(=C[CH+]C1)C(=O)O)C(=C)C)C(=O)OC(C)(C)C	PC-id_135404782	399.5	DONPHVCZPAUTDB-BYBMWLGFSA-O	00000000100000000110000000000010000000000000000000000000	31-01-113897
C/C/1=Cc2cc(c(o2)C[C@H](CCC(=C[CH+]C1)C(=O)O)C(=C)C)C(=O)OC(C)(C)C	PC-id_135911904	399.5	DONPHVCZPAUTDB-JTLJFWJRSA-O	00000000100000000110000000000010000000000000000000000000	31-01-113898
CC(=C)[C@@H]1CCC(=C[CH+][C@@H](c2cc(c(C1)o2)C(=O)OC(C)(C)C)C(=C)C)C(=O)O	PC-id_135497308	399.5	PZBKPPWMMBCOBO-QZTJIDSGSA-O	00000000100000000110000000000010000000000000000000000000	31-01-113899
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCCCCC2)c1C(=O)OC	PC-id_2931037,MCULE-8569753498	399.503	IANBCBGMGLMSSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113900
c1(NC(=O)COc2ccc3c(CCC3)c2)sc2c(CCCCC2)c1C(=O)OC	PC-id_1028357,MCULE-7098906388,ZINC22_695928,SPECS-id_AK-968/40734165,CoCoCo_5832622,TIMTEC562334,EMOLS-id_8248892	399.503	XZDZVZHPHFXZDD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-113901
CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1cc2c(s1)CCCCC2	CoCoCo_2861449,ZINC22_5362400,PC-id_7650105	399.503	RQUSJDVORRROEH-GOSISDBHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113902
CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1cc2c(s1)CCCCC2	PC-id_7650107,CoCoCo_2861450,ZINC22_5362409	399.503	RQUSJDVORRROEH-SFHVURJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113903
COc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)OC)CCCCCC2	PC-id_92924276,CoCoCo_896543	399.503	IANBCBGMGLMSSI-KAMYIIQDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113904
COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CCCCCC2	PC-id_5736762,ZINC22_4628667,SPECS-id_AK-968/12571196,TIMTEC208473,CoCoCo_896542,EMOLS-id_25949122	399.503	IANBCBGMGLMSSI-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113905
O=C(NC(C(=O)C)Cc1ccccc1)COC(=O)c1cc2c(s1)CCCCC2	PC-id_16277918,MCULE-1232217664	399.503	RQUSJDVORRROEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113906
s1c2CCCCCc2cc1C(=O)OCC(=O)c1ccc(NC(=O)CCC)cc1	PC-id_7432277	399.503	CZKKPIQKIDOXJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113907
s1c2CCCCCc2cc1C(=O)OC(C(=O)N1CCOCC1)c1ccccc1	PC-id_78528171	399.503	PADBPAZFWXZLHB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113908
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1	PC-id_7703738	399.503	PADBPAZFWXZLHB-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113909
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)N1CCOCC1)c1ccccc1	PC-id_7703741	399.503	PADBPAZFWXZLHB-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113910
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(OC)cc1)C(=O)OCC	PC-id_3251460	399.503	ODCKFCAYYRPNMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113911
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(OC)cc1)C(=O)OCC	PC-id_5772997	399.503	ODCKFCAYYRPNMX-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113912
s1c2CCCCCCc2cc1C(=O)OCC(=O)c1ccc(CNC(=O)C)cc1	PC-id_9456260	399.503	WQMSPZAVDUTAQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113913
c1(CN(C)C(=O)NC2CCN(CC2)c2ccccc2F)c2CCCCCc2[nH]n1	MCULE-1018626532,ZINC22_426423746,EMOLS-id_177390307,PC-id_121498377	399.505	ROGVHNVAVWFVGM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113914
Cc1ccc(cc1)S(=O)(=O)N/C=C(/c1ccc2-c1ccccc2)c1ccccc1	PC-id_122216382	399.505	BHESSNVJOQNIMO-XIEYBQDHSA-N	00000010100000110110000000000010000000000000000000000000	31-01-113915
Fc1ccccc1CN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1	ZINC22_14981269,PC-id_26336948,CoCoCo_1483472,EMOLS-id_20643223,MCULE-1138034721,CoCoCo_1483471	399.505	QWNIQXSATDRASK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113917
Fc1ccc(cc1)C(=O)NCCc1nnc2CCN(CC3CCCCC3)CCn12	ZINC22_11783366,PC-id_42163387,EMOLS-id_20465907,CoCoCo_1222356,MCULE-1407747764,CoCoCo_1222355	399.505	ZZRVMPSOFNRTCT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113918
Fc1cccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c1	EMOLS-id_20534881,PC-id_29213851,ZINC22_20910868,MCULE-3890292202,CoCoCo_1321672,CoCoCo_1321673	399.505	ASNCQOKERFBGAR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113919
Fc1cc(CN2CC(CCC2)C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_56167144	399.505	VTEKZXYXVNICGI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113920
Fc1ccc(N2CCN(CCCN3Cc4c(n(cc4)C)C(=NO)CC3)CC2)cc1	PC-id_59987745	399.505	SWUBLVUETJOJJI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113921
O=C(Cc1ccc(cc1)F)NCCc1nnc2n1CCN(CC2)C/C=C/C(C)C	ChEMBL-DNDi_CHEMBL13443289	399.505	HKQDJPGDGKGGGU-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-113922
C1(CC(=O)N(C)C1c1ccccc1OC)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323415222,MCULE-1190407396	399.506	IRQRGRHCFGNYTB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113923
C1(CC(=O)N(C)C1c1ccc(cc1)OC)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-3145786639,EMOLS-id_323366311	399.506	YMUOGCUPFFVSGG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113924
C1(CC(=O)N(C)C1c1cccc(OC)c1)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-9833391885,EMOLS-id_323404729	399.506	IQEMPSAGEOPMLA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113925
c1(NC(=O)COc2cccc3c2ccn3CCOC)sc2c(CCCCC2)n1	PC-id_121239055,ZINC22_263588436,MCULE-2253879941,EMOLS-id_93420936,STOCK7S-56601	399.506	UFDMGJGMYILZRT-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-113926
c1(sc2c(CCCCCC2)n1)NC(=O)c1ccc(cc1)C(=O)N1CCOCC1	MCULE-3787030398,EMOLS-id_316259350,ZINC22_528159346	399.506	VBBCDOZUBUVYBT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113927
Cc1ccc(c(c1)C)NC(=O)C1CSCN1C(=O)c1noc2c1CCCCC2	EMOLS-id_100966206	399.506	CBSLRSSGSXBKEK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113928
CCn1c(C)cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1C	EMOLS-id_24962225,ZINC22_17887250,PC-id_27764956,CoCoCo_4025472,MCULE-9797280292	399.506	GTMMIAHBKSZBQU-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-113929
CCOc1ccc(cc1)N1C(=O)CC(NCc2nc3CCCCCc3s2)C1=O	EMOLS-id_317395798,PC-id_5224362,MCULE-9310100311	399.506	HZDHYHXXZVXTTH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-113930
COc1cccc(c1)CC(=O)N1CCc2c(CC1)nc(s2)C(=O)N1CCCC1	PC-id_97524730	399.506	BLJDFDINUUFRHN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113931
COc1cccc(c1)C(=O)N1CCc2c(CC1)nc(s2)C(=O)N1CCCCC1	PC-id_97410609	399.506	WQGNLBNCSCSJCQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113932
COc1ccc(cc1)C(=O)N1CCc2c(CC1)nc(s2)C(=O)N1CCCCC1	PC-id_97524702	399.506	MTYCUWYJOXZAQD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113933
COc1cccc(c1)C(=O)N1CCC(C1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_110246732,BDB-25385836	399.506	IYDWMTMUTCAQNU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113934
COc1ccc(c(c1)OC)NC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	PC-id_45355526,EMOLS-id_16698134,MCULE-4158359285	399.506	ZXYSBPHATOHDPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113935
COc1ccc(CC(=O)N2CCc3nc(C(=O)N4CCCC4)sc3CC2)cc1	ZINC22_96147034,EMOLS-id_44304036,PC-id_97442558	399.506	OBUXFWQPXQBPKC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113936
COc1cccc(C(=O)N2CC[C@@H](C(=O)Nc3nc4c(s3)CCCCC4)C2)c1	ZINC22_19750230,PC-id_92635313	399.506	IYDWMTMUTCAQNU-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113937
COc1cccc(C(=O)N2CC[C@H](C(=O)Nc3nc4c(s3)CCCCC4)C2)c1	ZINC22_19750232,PC-id_92635314	399.506	IYDWMTMUTCAQNU-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113938
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)C2CC(C)C2)c1	EMOLS-id_313790782,ZINC22_1565554797	399.506	ZWYKKEXYRKMQTD-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-113939
COc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(OC)c1	ZINC22_12556156,CoCoCo_4225295,PC-id_25355883	399.506	ZXYSBPHATOHDPQ-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113940
COc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(OC)c1	ZINC22_12556157,PC-id_25355884,CoCoCo_4225294	399.506	ZXYSBPHATOHDPQ-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113941
N1(CCC(=O)Nc2sc3c(CCCCC3)c2C#N)C(=O)C2C(CCCC2)C1=O	PC-id_19591237,TIMTEC516395,EMOLS-id_8868016,MCULE-5211527533	399.506	VZTRLLOOMSUAFA-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-113942
N#Cc1c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)sc2c1CCCCC2	PC-id_51533346,ZINC22_14500604	399.506	VZTRLLOOMSUAFA-HUUCEWRRSA-N	00000010100010000100000000000110000000000000000000000000	31-01-113943
N#Cc1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)sc2c1CCCCC2	PC-id_98311488,ZINC22_102445324	399.506	VZTRLLOOMSUAFA-GASCZTMLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-113944
N#Cc1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc2c1CCCCC2	PC-id_98311489,ZINC22_102445328	399.506	VZTRLLOOMSUAFA-GJZGRUSLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-113945
N#Cc1c(NC(=O)CN2C(=O)C3C(C2=O)CCCC3)sc2c1CCCCCC2	EMOLS-id_110431611	399.506	GAUJYNLMCGAQEU-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-113946
O=c1ccc(c[nH]1)C(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_110337301	399.506	ZEIZCOBGQUISJW-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-113947
O=C(c1ccc(c(c1)NC(=O)c1noc2c1CCCCC2)C)N1CCSCC1	EMOLS-id_100108503	399.506	BCFQNLKGLOBJAA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113948
O=C(C1CSCN1C(=O)c1noc2c1CCCCC2)Nc1cccc(c1C)C	EMOLS-id_100966278	399.506	IGMAFHZKOVVJDK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113949
O=C(C1CSCN1C(=O)c1noc2c1CCCCC2)Nc1ccc(c(c1)C)C	EMOLS-id_100971250	399.506	IKHMQKZDXGVMPR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-113950
O=C(CN1CCCc2sccc2C1=O)N(Cc1cccnc1)C[C@@H]1CCCO1	ZINC22_84425014,PC-id_97012528	399.506	STDGXQYSXYKVCO-KRWDZBQOSA-N	00000010100000101100000000000010000000000000000000000000	31-01-113951
O=C(CN1CCCc2sccc2C1=O)N(Cc1cccnc1)C[C@H]1CCCO1	ZINC22_84425016,PC-id_97012529	399.506	STDGXQYSXYKVCO-QGZVFWFLSA-N	00000010100000101100000000000010000000000000000000000000	31-01-113952
O=C(CNC(=O)c1ccc(cc1)C)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_257851844,MCULE-9166976681,PC-id_24553559	399.506	DSFVVFUEAMYKCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113953
O=C(NCc1cccnc1)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCCC2	PC-id_7349424,CoCoCo_543242,ZINC22_4757485	399.506	BHQHWXLYZGOJBP-INIZCTEOSA-N	00000010100000101100000000000010000000000000000000000000	31-01-113954
O=C(NCc1cccnc1)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCCC2	ZINC22_4757488,PC-id_7349425,CoCoCo_543241	399.506	BHQHWXLYZGOJBP-MRXNPFEDSA-N	00000010100000101100000000000010000000000000000000000000	31-01-113955
O=C(N(Cc1cccnc1)CC1CCCO1)CN1CCCc2c(C1=O)ccs2	MCULE-3215968284,PC-id_71878188,EMOLS-id_44566558	399.506	STDGXQYSXYKVCO-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-113956
O=C(OCC(=O)N1CCN(c2ccccn2)CC1)c1cc2c(s1)CCCCC2	EMOLS-id_44019667,ZINC22_10633994,PC-id_24677811,MCULE-1531067547,CoCoCo_4436554	399.506	QYKXESLRRVPVPK-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-113957
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCNC(=O)c1ccccc1	PC-id_31846123	399.506	OOILEJUWXRZGJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113958
s1c2CCCCCc2cc1C(=O)NNC(=O)C[C@H](NC(=O)C)c1ccccc1	PC-id_9301160	399.506	VUICXSOHRLFOKG-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113959
s1c2CCCCCc2cc1C(=O)NNC(=O)C[C@@H](NC(=O)C)c1ccccc1	PC-id_9301163	399.506	VUICXSOHRLFOKG-QGZVFWFLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113960
s1c2CCCCCc2cc1C(=O)NNC(=O)CCNC(=O)c1cc(ccc1)C	PC-id_29911340	399.506	JKSKLZFOSIZXGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113961
s1c2CCCCCc2cc1C(=O)NNC(=O)CC(NC(=O)c1ccccc1)C	PC-id_78804573	399.506	NKFDEJZMOQDLOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113962
s1c2CCCCCc2cc1C(=O)NNC(=O)CCNC(=O)c1c(cccc1)C	PC-id_9092566	399.506	WDWDKNIXRTVOGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113963
s1c2CCCCCc2cc1C(=O)NNC(=O)CC(NC(=O)C)c1ccccc1	PC-id_60422833	399.506	VUICXSOHRLFOKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113964
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(cc(c1)C)C	PC-id_24554106	399.506	ACWVDTAJWSOZNG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113965
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(c(cc1)C)C	PC-id_40718413	399.506	KDHRDOWYMQGTOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113966
s1c2c(CCCCC2)c(c1NC(=O)CC(NC(=O)C)c1ccccc1)C(=O)N	PC-id_60387939	399.506	FPMMZWAVSTURBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113967
s1c2CCCCCc2nc1NC(=O)C1NCC(OCc2ccccc2)C(=O)C1	PC-id_75982544	399.506	GUAMGRRKKCCZBW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-113968
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1ccc([N+](=O)[O-])cc1	PC-id_8921698	399.506	GEAJGBSUSWNFLV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113969
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1cc([N+](=O)[O-])ccc1	PC-id_52458744	399.506	NEENKXRXHTVKTK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113970
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1c([N+](=O)[O-])cccc1	PC-id_27824995	399.506	JNVNFKIWXDHWEW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113971
s1c2CCCCCCc2cc1C(=O)NCc1ccc(cc1)C(=O)NCC(=O)N	PC-id_52621673	399.506	DDOZHTLTWSJKRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113972
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(CNC(=O)C)cc1	PC-id_24462198	399.506	NNQNRAVJAWVGMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113973
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)CC)ccc1	PC-id_52670459	399.506	KTXSVTQERZJMCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113974
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1[nH]c2CCCC(=O)c2c1C	PC-id_24553550	399.506	QXOGHNIZTZOCLF-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-113975
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1ccc(NC(=O)C)cc1	PC-id_8408566	399.506	APYODZUNGAFFRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113976
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(ccc1)C	PC-id_25444101	399.506	FERMYPMKMTYSHM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113977
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1c(cccc1)C	PC-id_60419188	399.506	BDKHKJJSLADPTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113978
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(NC(=O)c1ccccc1)C	PC-id_85497725	399.506	GYSDNKMCLPKZIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113979
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)Cc1ccccc1	PC-id_9441684	399.506	BPGOTYHXJHIISU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113980
c1(NC(=O)C2CCCO2)sc2c(CCCCC2)c1C(=O)NCc1cccnc1	EMOLS-id_2266333,MCULE-2308159810,PC-id_2971383	399.507	BHQHWXLYZGOJBP-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-113981
s1c2CCCCCCc2cc1C(=O)N(CCC)Cc1oc(nn1)c1occc1	PC-id_32569693	399.507	IFADPQZDDZZHAH-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-113982
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)c1ccccc1)C	PC-id_35431077	399.507	GYSDNKMCLPKZIH-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-113983
C[C@H]1CN(CC(=O)NCc2cc3CN(CCCn3n2)S(=O)(=O)C)C[C@@H](C)O1	ZINC22_91726204,PC-id_72901246,MCULE-9054361063,EMOLS-id_46071149	399.508	SXUYORPEWKNJKJ-OKILXGFUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-113984
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccccc1F	PC-id_111148167	399.508	SRZGUEODPMEHLO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113985
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccc(cc1)F	PC-id_111164881	399.508	CUSCCJGQIFVPBB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113986
CS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1nnc2n1CCOCC2	EMOLS-id_320275414,MCULE-3104163321,ZINC22_1615553757	399.508	ZKALHUSGMNVAGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113987
Fc1ccc(cc1)N1CCN(CC1)C(=NCCCc1nnc2n1CCCCC2)N	PC-id_111093787	399.508	WPPCTMIWFGQOCQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-113988
S(=O)(=O)(N1CCC(NC(=O)Cn2nc3n(CCCCC3)c2=O)CC1)CCC	PC-id_55694539	399.508	IVOYKUUBGPFUPC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-113989
S(=O)(=O)(NC1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)CCC	PC-id_55655204	399.508	BMEAKZHBBIZJNS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-113990
c1(c(C)onc1C(=O)Nc1sc2c(CCCCCC2)n1)Cn1c(C)cc(C)n1	PC-id_46971344,CoCoCo_496352,EMOLS-id_30438779,SYN-20043006,MCULE-2568570579,ZINC22_19574370	399.51	XZUUJRZPJCCEAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113991
c1(C(=O)N(CC)CC)nn(c(C(=O)Nc2sc3c(CCCCC3)c2C#N)c1)C	MCULE-4015671374,PC-id_19616084,EMOLS-id_8872209,ZINC22_20606126	399.51	LDKDOWLHAINXMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-113992
Cc1c(c(=O)[nH]c2c1c(nn2C)C)CCC(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_98320548,PC-id_137218076	399.51	AOSZCPQTQDAHSK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113993
c1(C(=O)OCC)c2CCCCCc2sc1NC=C1C(=O)c2c(cccc2)S1	MCULE-7652309536,PC-id_6803246	399.526	DRCKHGWUXLNEPJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-114033
Cc1nc2cc(C(=O)N3CCCn4nc([C@H](O)CN(C)C)cc4C3)ccc2s1	PC-id_100090998,ZINC22_222352702	399.51	XFDAOJFIWXJGIM-GOSISDBHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113994
Cc1nc2cc(C(=O)N3CCCn4nc([C@@H](O)CN(C)C)cc4C3)ccc2s1	ZINC22_222352649,PC-id_100090994	399.51	XFDAOJFIWXJGIM-SFHVURJKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113995
Cc1nc2cc(O)nn2c(C)c1CCC(=O)Nc1nc2c(s1)CCCCCC2	MCULE-7562837285,EMOLS-id_35759521,PC-id_53540453,ZINC22_65488792	399.51	GENPRLDPOVINBM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113996
CN(C)CC(O)c1cc2CN(CCCn2n1)C(=O)c1ccc2sc(C)nc2c1	PC-id_91782594,MCULE-5556483179,EMOLS-id_55667375	399.51	XFDAOJFIWXJGIM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113997
COCc1nnc2CCC(CCn12)NC(=O)CCCc1nc2ccccc2s1	EMOLS-id_50590355,PC-id_91922606,MCULE-6310256196	399.51	NZGVIRIKPDSLMR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-113998
N#Cc1c(NC(=O)CCN2CCc3c(C2)n(C)nc3O)sc2c1CCCCC2	EMOLS-id_316571647	399.51	FEZVODITOIUBAG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-113999
N#Cc1c(NC(=O)CN2CCCC(C2)c2onc(n2)C)sc2c1CCCCC2	EMOLS-id_98127402	399.51	ZNFNCPRNAFDCFO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-114000
N#Cc1nc(oc1N1CCC(CC1)C(=O)Nc1sc2c(n1)CCCCCC2)C	EMOLS-id_98196982	399.51	WWFPKVANQNLUFZ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-114001
O=C(C1CCn2c(CC1)nnc2)Nc1ccc(cc1C)C(=O)N1CCSCC1	EMOLS-id_278130342	399.51	DZRITAZQWHFTHS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114002
O=C(N1CCCc2c(C1)cnn2C)Nc1cccc(c1)C(=O)N1CCSCC1	EMOLS-id_101967237	399.51	MQAXLENLQBMJQA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114003
O=C(N1CSCC1C(=O)Nc1ccc(c(c1)C)C)C1CCn2c(CC1)nnc2	EMOLS-id_278135814	399.51	GYYAINWSFONMRK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-114004
s1c2c(CCCCC2)c(c1NC(=O)C1CCCN(C1)c1ncccn1)C(=O)N	PC-id_55577172	399.51	DKCHAZGAOCVHLQ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-114005
s1c2CCCCCCc2nc1NC(=O)COc1nn(c2nc(cc(c12)C)C)C	PC-id_56445187	399.51	LTQFBYYJBKOKEN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114006
[NH+]1(CCn2c(nnc2CCc2ccccc2)CC1)Cc1n(ccc1)c1ncccc1	PC-id_42320695	399.511	XOAHNPPIWXGDFD-UHFFFAOYSA-O	00000000110000111101100000000010000000000000000000000000	31-01-114007
Cc1cc(n(n1)CCc1nnc(s1)NC(=O)c1[nH]nc2c1CCCCCC2)C	CoCoCo_512554,CoCoCo_512555	399.513	BUECFEFPUPPXFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114008
O=C(c1[nH]cc(c1)C1=CN1SN(c1nnc2n1CCCCC2)C)N1CCCC1	PC-id_144520221	399.513	STBFNGPNBLLMOC-UHFFFAOYSA-N	00110010110000000101100000000010000000000000000000000000	31-01-114009
s1c2n(cc(n2)CC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_46692017	399.513	VQEKWPICJPPARB-UHFFFAOYSA-N	00000000100010000101000100000010000000000000000000000000	31-01-114010
CCCC(OC(=O)CC1CCCCc2c(C1(F)F)nnn2C(CC)(C)C)(C)C	SCHEMBL21017148,PC-id_138648852	399.518	WQSUBPQOPUMNMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114011
O(C(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(CCCCCCCC)cc2)CC	PC-id_11304115	399.523	XTCSGUWFVDWDSL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114012
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(CC(CC)CC)CCn12	EMOLS-id_20485023,MCULE-9747295395,PC-id_45190078	399.53	NMIRCYTYCPJABQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114053
CCN(C(=O)COC(=O)c1cc2c(s1)CCCCC2)C1CCS(=O)(=O)C1	PC-id_16509433,EMOLS-id_8376654,MCULE-5495093397,ChEMBL-DNDi_CHEMBL1866050,CHEMBL1866050	399.525	CSSGNSLBYCENFX-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114013
CCN(C(=O)COC(=O)c1cc2c(s1)CCCCC2)[C@H]1CCS(=O)(=O)C1	CoCoCo_2861373,ZINC22_4767892,PC-id_6601540	399.525	CSSGNSLBYCENFX-AWEZNQCLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114014
CCN(C(=O)COC(=O)c1cc2c(s1)CCCCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_3551602,CoCoCo_2861374,PC-id_2668555	399.525	CSSGNSLBYCENFX-CQSZACIVSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114015
O1C(CCCCCCCC)COCCOCCOCc2nc([nH]n2)COCC1	PC-id_13905966	399.525	LPNZDZLEZZPTSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114016
O1C(CC(C)C)COCCOCCOCC(OCc2nc([nH]n2)C1)CC(C)C	PC-id_21779726	399.525	DQXMYKGGPIFYCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114017
O1C(C(CC)C)COCCOCCOCC(OCc2nc([nH]n2)C1)C(CC)C	PC-id_21779727	399.525	JPNPIADVTBFRBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114018
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)OCC)C(=O)OCC	PC-id_4132598	399.525	RHGQOUCXPNSSGX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-114019
S1(=O)(=O)C[C@H](N(C)C(=O)COC(=O)c2sc3CCCCCCc3c2)CC1	PC-id_29838152	399.525	UJRGUJABOOCWPW-CQSZACIVSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114020
S1(=O)(=O)C[C@@H](N(C)C(=O)COC(=O)c2sc3CCCCCCc3c2)CC1	PC-id_29838155	399.525	UJRGUJABOOCWPW-AWEZNQCLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114021
S1(=O)(=O)C[C@H](N(C(=O)[C@@H](OC(=O)c2sc3CCCCCc3c2)C)C)CC1	PC-id_8254840	399.525	GCANMRXBJNXTTO-GXTWGEPZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114022
S1(=O)(=O)C[C@H](N(C(=O)[C@H](OC(=O)c2sc3CCCCCc3c2)C)C)CC1	PC-id_8254845	399.525	GCANMRXBJNXTTO-TZMCWYRMSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114023
S1(=O)(=O)C[C@@H](N(C(=O)[C@@H](OC(=O)c2sc3CCCCCc3c2)C)C)CC1	PC-id_8254851	399.525	GCANMRXBJNXTTO-JSGCOSHPSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114024
S1(=O)(=O)C[C@@H](N(C(=O)[C@H](OC(=O)c2sc3CCCCCc3c2)C)C)CC1	PC-id_8254853	399.525	GCANMRXBJNXTTO-OCCSQVGLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114025
S1(=O)(=O)C[C@H](NC(=O)[C@@H](OC(=O)c2sc3CCCCCCc3c2)C)CC1	PC-id_8943197	399.525	BUVQKGUGECMCKL-GXTWGEPZSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114026
S1(=O)(=O)C[C@H](NC(=O)[C@H](OC(=O)c2sc3CCCCCCc3c2)C)CC1	PC-id_8943201	399.525	BUVQKGUGECMCKL-TZMCWYRMSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114027
S1(=O)(=O)C[C@@H](NC(=O)[C@@H](OC(=O)c2sc3CCCCCCc3c2)C)CC1	PC-id_8943207	399.525	BUVQKGUGECMCKL-JSGCOSHPSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114028
S1(=O)(=O)C[C@@H](NC(=O)[C@H](OC(=O)c2sc3CCCCCCc3c2)C)CC1	PC-id_8943212	399.525	BUVQKGUGECMCKL-OCCSQVGLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114029
S1(=O)(=O)CC(N(C)C(=O)COC(=O)c2sc3CCCCCCc3c2)CC1	PC-id_24341558	399.525	UJRGUJABOOCWPW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114030
S1(=O)(=O)CC(N(C(=O)C(OC(=O)c2sc3CCCCCc3c2)C)C)CC1	PC-id_78644197	399.525	GCANMRXBJNXTTO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114031
S1(=O)(=O)CC(NC(=O)C(OC(=O)c2sc3CCCCCCc3c2)C)CC1	PC-id_84878985	399.525	BUVQKGUGECMCKL-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114032
CCOC(=O)c1c(N/C=C/2Sc3c(C2=O)cccc3)sc2c1CCCCC2	ZINC22_100981980,TIMTEC130354,STOCK5S-11507,EMOLS-id_3740890,PC-id_5567760	399.526	DRCKHGWUXLNEPJ-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-114034
CCOC(=O)c1c(sc2c1CCCCC2)/N=C/c1c(c2ccccc2s1)O	PC-id_135469838	399.526	FLMRGELUSNYHEA-WSDLNYQXSA-N	00000000100000100100000001000010000000000000000000000000	31-01-114035
O=C(c1ccc(cc1)COC1CCCCCc2c1nnn2C(C)C)OC(C)(C)C	SCHEMBL20807833,PC-id_138463119	399.526	NLXSNFPBNZYESN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114036
s1c2CCCCCc2cc1C(=O)OCc1nc(sc1)c1ccc(OC)cc1	PC-id_7352161	399.526	YLSZYUVTSIPVOO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114037
s1c2CCCCCc2cc1C(=O)OCc1nc(sc1)c1c(OC)cccc1	PC-id_16509495	399.526	LNSOBHJOCQQVST-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114038
s1c2c(CCCCC2)c(c1N/C=C
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s1c(C(=O)N2CC[NH+](CC2)Cc2cc3OCOc3cc2)cc2c1CCCCC2	PC-id_9461121	399.526	ZOZKGLDKJWTWOB-UHFFFAOYSA-O	00000010100010100101000000001010000000000000000000000000	31-01-114040
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)C	PC-id_44086268	399.528	NZILGVCVDLZJKZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-114041
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S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)C	PC-id_49697959	399.528	JZVLVFJKUWOPPK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-114043
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)C	PC-id_26044655	399.528	SBWURMMANRLWNG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-114044
S(=O)(=O)(N1C(CCCC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)C	PC-id_55547852	399.528	LXNWMXAJOUTNFF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-114045
c12CN(CCCn1nc(C#N)c2)CC1(CCCN(CCC2CCCCC2)C1=O)O	PC-id_56744603,EMOLS-id_36579476,MCULE-1637532164	399.53	VRBYFDHGFGWQGV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-114046
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(cc3)OCC)CCn12	ChEMBL-DNDi_CHEMBL28648886,MCULE-5708630170,PC-id_45194465,EMOLS-id_20504025	399.53	AKNRIDMNFBHHDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114047
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(c(C)c3)OC)CCn12	MCULE-8919474160,PC-id_45223012,ChEMBL-DNDi_CHEMBL58044766,EMOLS-id_20627177	399.53	MYXSAGZPHSXMMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114048
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3cccc(C)c3)CCn12	EMOLS-id_20548813,MCULE-6413419048,PC-id_45204640,ChEMBL-DNDi_CHEMBL38133445	399.53	UOEMGMILBUSSKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114049
c1(C(C(C)C)NC(=O)c2ccc(cc2)OC)nnc2CCN(CC(C)C)CCn12	PC-id_45930078,MCULE-5442836035,EMOLS-id_232727178,ChEMBL-DNDi_CHEMBL28647947	399.53	APIXKHXOPAXALK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114050
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3cc(C)ccc3C)CCn12	ChEMBL-DNDi_CHEMBL27403488,PC-id_45193010,MCULE-1745831992,EMOLS-id_20497849	399.53	STURABKTXHDHFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114051
c1(c(C)nc(c2ccc(cc2)OC)s1)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323312149,MCULE-9949895312,PC-id_30217113	399.53	KDAMWFVSQWNOEN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114052
c1(NC(=O)Cc2csc(c3cccc(OC)c3)n2)sc2c(CCCCC2)n1	EMOLS-id_320477259,MCULE-2673184326	399.53	XRVBYDBDKZJDBG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114054
c1(NC(=S)NC(=O)c2ccc(cc2)OC)sc2c(CCCCCC2)c1C#N	PC-id_1933282,STOCK2S-75973,ZINC22_2316689,EMOLS-id_4457471,CoCoCo_1740195,MCULE-8794569239	399.53	NTSVXDRRAVFXHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114055
Cc1cc(CSc2ccccc2C(=O)Nc2nc3c(s2)CCCCC3)on1	CoCoCo_4546246,MCULE-4009762665,PC-id_25595071,ZINC22_12908900,EMOLS-id_18895145	399.53	GVRFXEGYLLKBKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114056
CCc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)o1	CoCoCo_1212766,ZINC22_14886571,EMOLS-id_20459003,CoCoCo_1212765,MCULE-8908626409,PC-id_26281014	399.53	DJWCJJYJYMBGRH-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-114057
CC(Cc1nc2c(s1)cccc2)NC(=O)CN1CCCc2c(C1=O)ccs2	EMOLS-id_44566564,PC-id_71878185,MCULE-4732262708	399.53	BDQCNFFQFUTPSV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114058
CCC(CC)CN1CCc2nnc(CCNC(=O)c3ccc(OC)cc3)n2CC1	ZINC22_11974524,EMOLS-id_20485393,PC-id_42325464,CoCoCo_1250313,CoCoCo_1250312,MCULE-5646615492	399.53	FKIRBTCWUJUTLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114059
CCC(CC)CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1	CoCoCo_1239118,MCULE-7094147625,ZINC22_11869861,EMOLS-id_20477507,CoCoCo_1239117,PC-id_42237204	399.53	STPRACOHMCBWDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114060
CCC(CC)CN1CCc2nnc([C@@H](C)NC(=O)c3cccc(OC)c3)n2CC1	CoCoCo_1249800,CoCoCo_1249799,ZINC22_11973545	399.53	NMIRCYTYCPJABQ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114061
CCC(CC)CN1CCc2nnc([C@H](C)NC(=O)c3cccc(OC)c3)n2CC1	ZINC22_11973548,CoCoCo_1249802,CoCoCo_1249801	399.53	NMIRCYTYCPJABQ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114062
CC(C)(C)CCOc1cnccc1CNC(=O)N1Cc2c[nH]nc2CC(C)(C)C1	ZINC22_663212305,MCULE-1159580517,PC-id_139020535,EMOLS-id_317723298	399.53	MCUIUBGNRFAAKV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114063
CCC(C)C(=O)NCc1nnc2CCN(Cc3cc(C)c(OC)cc3C)CCn12	PC-id_45178455,MCULE-4365746341,EMOLS-id_20434717	399.53	SBUBNZVVEQCRHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114064
CCC(C)C(=O)NCc1nnc2CCN(Cc3ccc(OC(C)C)cc3)CCn12	MCULE-3501812808,PC-id_45197268,EMOLS-id_20516703	399.53	PDVPZDCOESZJQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114065
CC(=C)[C@@H]1CCC(=CC1)CN1CCc2n(CC1)c(nn2)CNC(=O)[C@H]1COCC1	CoCoCo_1126316,CoCoCo_1126320	399.53	VIDPYZJWXTZZGJ-RBUKOAKNSA-N	00000010100011000101000000000010000000000000000000000000	31-01-114066
CC(=C)[C@@H]1CCC(=CC1)CN1CCc2n(CC1)c(nn2)CNC(=O)[C@@H]1COCC1	CoCoCo_1126318,CoCoCo_1126314	399.53	VIDPYZJWXTZZGJ-OALUTQOASA-N	00000010100011000101000000000010000000000000000000000000	31-01-114067
CC(=C)[C@H]1CCC(=CC1)CN1CCc2nnc(CNC(=O)C3CCOC3)n2CC1	MCULE-6780718183,EMOLS-id_25988019,PC-id_45169461	399.53	VIDPYZJWXTZZGJ-MRTLOADZSA-N	00000010100011000101000000000010000000000000000000000000	31-01-114068
C=C(C)[C@@H]1CC=C(CN2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)CC1	CoCoCo_1126313,ZINC22_11881678,CoCoCo_1126317	399.53	VIDPYZJWXTZZGJ-MOPGFXCFSA-N	00000010100011000101000000000010000000000000000000000000	31-01-114069
C=C(C)[C@@H]1CC=C(CN2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)CC1	ZINC22_11881677,CoCoCo_1126315,CoCoCo_1126319	399.53	VIDPYZJWXTZZGJ-RTBURBONSA-N	00000010100011000101000000000010000000000000000000000000	31-01-114070
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(C)c(OC)cc1C)CC2	CoCoCo_1179143,CoCoCo_1179145,ZINC22_12041778	399.53	SBUBNZVVEQCRHW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114071
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(C)c(OC)cc1C)CC2	ZINC22_12041775,CoCoCo_1179146,CoCoCo_1179144	399.53	SBUBNZVVEQCRHW-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114072
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(OC(C)C)cc1)CC2	CoCoCo_1295336,CoCoCo_1295334,ZINC22_12000389	399.53	PDVPZDCOESZJQD-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114073
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(OC(C)C)cc1)CC2	ZINC22_12000393,CoCoCo_1295335,CoCoCo_1295333	399.53	PDVPZDCOESZJQD-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114074
C[C@H](Cc1nc2ccccc2s1)NC(=O)CN1CCCc2sccc2C1=O	PC-id_97020436,ZINC22_84640996	399.53	BDQCNFFQFUTPSV-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114075
C[C@@H](Cc1nc2ccccc2s1)NC(=O)CN1CCCc2sccc2C1=O	ZINC22_84640992,PC-id_97020435	399.53	BDQCNFFQFUTPSV-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114076
CCOc1ccccc1CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)C)CC(C)C	CoCoCo_1361542,CoCoCo_1361543,PC-id_29259324	399.53	ORIJQCJPZBXJCF-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114077
CCOc1ccccc1CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)C)CC(C)C	CoCoCo_1361545,CoCoCo_1361544,PC-id_29259325	399.53	ORIJQCJPZBXJCF-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-114078
CCOc1ccccc1CN1CCc2n(CC1)c(nn2)C(NC(=O)C)CC(C)C	PC-id_45207705,ChEMBL-DNDi_CHEMBL41176247	399.53	ORIJQCJPZBXJCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114079
CCOc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)cc1	CoCoCo_1277184,CoCoCo_1277183,ZINC22_20601470	399.53	AKNRIDMNFBHHDR-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114080
CCOc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)cc1	CoCoCo_1277186,CoCoCo_1277185,ZINC22_20601471	399.53	AKNRIDMNFBHHDR-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114081
COc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)cc1C	PC-id_26326713,CoCoCo_1458938,CoCoCo_1458939,ZINC22_14967900	399.53	MYXSAGZPHSXMMF-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114082
COc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)cc1C	ZINC22_14967903,CoCoCo_1458940,CoCoCo_1458941,PC-id_26326717	399.53	MYXSAGZPHSXMMF-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-114083
COc1ccc(C(=O)N[C@H](c2nnc3n2CCN(CC(C)C)CC3)C(C)C)cc1	ZINC22_11996437	399.53	APIXKHXOPAXALK-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114084
COc1ccc(C(=O)N[C@@H](c2nnc3n2CCN(CC(C)C)CC3)C(C)C)cc1	ZINC22_11996438	399.53	APIXKHXOPAXALK-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114085
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(cc3)C(C)C)CCn12	EMOLS-id_20556409,MCULE-1293409880,PC-id_45206357	399.53	AQYNBCMJRNQFBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114086
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(C(C)C)cc1)CC2	CoCoCo_1353062,PC-id_29257782,CoCoCo_1353061,ZINC22_12245733	399.53	AQYNBCMJRNQFBP-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114087
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C(C)C)cc1)CC2	CoCoCo_1353064,PC-id_29257781,ZINC22_12245732,CoCoCo_1353063	399.53	AQYNBCMJRNQFBP-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114088
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cc(C)ccc1C)CC2)C(C)C	CoCoCo_1268076,CoCoCo_1268075,ZINC22_20600312	399.53	STURABKTXHDHFE-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114089
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1cc(C)ccc1C)CC2)C(C)C	CoCoCo_1268077,ZINC22_20600311,CoCoCo_1268078	399.53	STURABKTXHDHFE-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114090
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(C)c1)CC2	CoCoCo_1341860,ZINC22_20994870,CoCoCo_1341859,PC-id_29255407	399.53	UOEMGMILBUSSKA-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114091
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(C)c1)CC2	CoCoCo_1341861,CoCoCo_1341862,PC-id_29255405,ZINC22_20994867	399.53	UOEMGMILBUSSKA-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-114092
N#Cc1cc2n(n1)CCCN(C[C@]1(O)CCCN(CCC3CCCCC3)C1=O)C2	PC-id_95204828,ZINC22_67714860	399.53	VRBYFDHGFGWQGV-JOCHJYFZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-114093
N#Cc1cc2n(n1)CCCN(C[C@@]1(O)CCCN(CCC3CCCCC3)C1=O)C2	ZINC22_67714861,PC-id_95204829	399.53	VRBYFDHGFGWQGV-QFIPXVFZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-114094
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccccc2)sc2c1CCCCC2	PC-id_20166159,ZINC22_32125255	399.53	MGYYWRINWQBHHS-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114095
O1CC(CC1)C(=O)NCc1n2CCN(CC3=CCC(CC3)C(=C)C)CCc2nn1	PC-id_75098799	399.53	VIDPYZJWXTZZGJ-UHFFFAOYSA-N	00000010100011000101000000000010000000000000000000000000	31-01-114096
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s1c2CCCCCc2cc1C(=O)NNC(=O)c1n(Cc2sccc2)ccc1	PC-id_52714136	399.53	GCSNSLFCAFNWQB-UHFFFAOYSA-N	00000000110100000100000000000010000000000000000000000000	31-01-114098
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1sc2c(n1)cccc2	PC-id_34035353	399.53	YMBBTDRKJQMJKB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114099
s1c2CCCCCc2c(c1NC(=O)CSc1ccc(NC(=O)C)cc1)C#N	PC-id_27196349	399.53	LYYZBGOTAGVDBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114100
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)C=Cc1ccccc1)C(=O)N	PC-id_73664827	399.53	MGYYWRINWQBHHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114101
s1c2CCCCCCc2nc1NC(=O)c1cc(OCc2ncsc2)ccc1	PC-id_56021212	399.53	MDZFJOSSGOYDDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114102
CC(CCc1c[nH]c2ccccc12)N1CCc2nnc(Cc3ccccc3)n2CC1	PC-id_45249969,EMOLS-id_20738125,MCULE-5679832594	399.531	BRJXCAPUPZTBAD-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-114103
C[C@@H](CCc1c[nH]c2ccccc12)N1CCc2nnc(Cc3ccccc3)n2CC1	CoCoCo_1629212,CoCoCo_1629214,ZINC22_12130991	399.531	BRJXCAPUPZTBAD-IBGZPJMESA-N	00000000100000110101000001100010000000000000000000000000	31-01-114104
C[C@H](CCc1c[nH]c2ccccc12)N1CCc2nnc(Cc3ccccc3)n2CC1	CoCoCo_1629215,CoCoCo_1629213,ZINC22_12130997	399.531	BRJXCAPUPZTBAD-LJQANCHMSA-N	00000000100000110101000001100010000000000000000000000000	31-01-114105
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Cc1ccc(c2csc(NC(=O)CSc3nnc4n3CCCCC4)n2)cc1	CoCoCo_3081520,ZINC22_6097268,PC-id_7876775,EMOLS-id_11709039,MCULE-6599211316	399.533	PFIHZWLOMVSLIA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114107
Cc1ccc(n2cnnc2SCC(=O)Nc2nc3c(s2)CCCCC3)cc1	EMOLS-id_24061302,CoCoCo_4666018,PC-id_40144547,ZINC22_32907951,MCULE-7056028963	399.533	MSTSRLPHBFPXCP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114108
Cc1csc(n1)Sc1ccc(c(c1)C)NC(=O)C1CCn2c(CC1)nnc2	EMOLS-id_278130556	399.533	KCHIZHLCEUGWCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114109
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C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1nc(c2ccccc2)cs1	CoCoCo_3081748,PC-id_7876982,ZINC22_6097579	399.533	YOKSHSKKKKVOBE-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114112
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1nc(c2ccccc2)cs1	ZINC22_6097582,CoCoCo_3081749,PC-id_7876984	399.533	YOKSHSKKKKVOBE-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114113
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccco1)N1CCCC1	PC-id_111008513	399.533	VOPIOLYOUXMZOE-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-114114
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CN=C(NCC(c1ccco1)N1CCCC1)NCCc1nnc2n1CCCCC2	PC-id_111008855	399.533	CRFDHSQIMKOMAW-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-114116
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s1c2CCCCCCc2nc1NC(=O)c1ccc(cc1)CSc1[nH]ncn1	PC-id_60572037	399.533	YGVORBGKSSSPDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114118
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CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(CC1)c1[nH]ncn1	PC-id_112086931	399.536	QNMLWODDGUMHEO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-114120
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCc2n(C1)nc(n2)C	PC-id_112079643	399.536	FUPGBFHEQWBEHO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-114121
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCn2c1nc(n2)C	PC-id_112086661	399.536	ACHDVUDFJLENRM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-114122
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COc1cccc(NC(=O)c2nc3CCN(CC4CCCCC4)CCc3s2)c1	EMOLS-id_313792829,ZINC22_1201389660	399.55	OAZYITCYDUASQE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114154
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S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(N2CCCCCC2)cc1	PC-id_8332798	399.553	CWDUQDUCOFMVQA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114192
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S(C(C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)C)c1ccccc1	PC-id_46691989	399.553	QZBHCCWGZDBUAZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114197
CC(c1ccc(c2-c(c1)c(C)cc2/C(=CNS(=O)(=O)C)/c1cccs1)C)C	PC-id_142734109	399.569	GQMAVUGLUCAMEV-DEDYPNTBSA-N	00000010100100000110000000000010000000000000000000000000	31-01-114198
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C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]1c1cccs1	ZINC22_251524786,CoCoCo_4228194,CoCoCo_4228196	399.573	BZHDWIGTAULBAA-PBHICJAKSA-N	00000010100100000100100000000010000000000000000000000000	31-01-114206
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]1c1cccs1	ZINC22_251524797,CoCoCo_4228192,CoCoCo_4228190	399.573	BZHDWIGTAULBAA-YOEHRIQHSA-N	00000010100100000100100000000010000000000000000000000000	31-01-114207
N#Cc1c(NC(=O)C(N2CCCC2c2cccs2)C)sc2c1CCCCC2	EMOLS-id_11811250,PC-id_16363973,MCULE-5046808660	399.573	BZHDWIGTAULBAA-UHFFFAOYSA-N	00000010100100000100100000000010000000000000000000000000	31-01-114208
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1sccc1)CC=C)C#N	PC-id_27106060	399.573	ZXKBPFGPRACHPC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-114209
s1c2CCCCCc2c(c1NC(=O)CN(Cc1ccc(SC)cc1)C)C#N	PC-id_4818903	399.573	DNTRGMAMQMYTEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114210
s1c(C2N(CCC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1	PC-id_24428840	399.573	YPKWZGGBXCEUOC-UHFFFAOYSA-N	00000010100100000100100000000010000000000000000000000000	31-01-114211
s1c([C@@H]2N(CCC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1	PC-id_29519869	399.573	YPKWZGGBXCEUOC-QGZVFWFLSA-N	00000010100100000100100000000010000000000000000000000000	31-01-114212
s1c([C@H]2N(CCC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1	PC-id_29519873	399.573	YPKWZGGBXCEUOC-KRWDZBQOSA-N	00000010100100000100100000000010000000000000000000000000	31-01-114213
O=C(Nc1cc(Cl)c(cc1Br)C)NC1CCn2c(CC1)nnn2	EMOLS-id_102020506	399.673	BYIUJQCLCXCSAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114214
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1cc(ncc1)Cl)[N+](=O)[O-]	PC-id_89580269,SCHEMBL14965918	399.831	NPVYSIIHLMNEDE-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-114215
O=C(c1ncn(n1)Cc1ccccc1Cl)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18367095	399.834	RIDSLBMRQVHATE-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114216
c1(NC(=O)c2cc(F)c(cc2Cl)F)sc2c(CCCCC2)c1C(=O)OC	ZINC22_668325,CoCoCo_5819409,PC-id_1008635,TIMTEC404480,SPECS-id_AK-968/12384202,MCULE-4230168552,EMOLS-id_5123582	399.839	QKWQLJVRLRDSFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114217
C1CN(CCc2c1nc(o2)C(=O)Nc1ccccc1)Cc1cc(c(cc1)F)Cl	PC-id_134805539	399.846	HFPPNBOKTURSTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114218
C1CN(CCc2c1nc(o2)C(=O)Nc1ccc(cc1)Cl)Cc1cc(ccc1)F	PC-id_134805542	399.846	VTZNFUNCXSTKEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114219
Clc1ccc(c(c1)Nc1ccc(cc1)F)NC(=O)C1CCn2c(CC1)nnc2	MCULE-7649850042,EMOLS-id_320227263	399.849	PKMSNZJUOOKFSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114220
c1(cn2c(C(=O)N(CCC2)CC)c1)S(=O)(=O)NCc1ccc(cc1Cl)F	EMOLS-id_33087380,MCULE-9500569221,PC-id_53182950	399.867	GFRMDTFBOKHOGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114221
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3)Cl)CCn12	MCULE-3989841987,ChEMBL-DNDi_CHEMBL51513849,PC-id_45166902,EMOLS-id_232752108	399.874	WAFSAQDFDMVOMU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114222
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccccc3Cl)CCn12	MCULE-7613380299,PC-id_45210384,EMOLS-id_20573661	399.874	CGOYKGBIQYPGOG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114223
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccccc1Cl)CC2	CoCoCo_1378874,ZINC22_23339468,PC-id_31017816,CoCoCo_1378875	399.874	CGOYKGBIQYPGOG-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114224
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccccc1Cl)CC2	PC-id_31017818,CoCoCo_1378877,ZINC22_23339470,CoCoCo_1378876	399.874	CGOYKGBIQYPGOG-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114225
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2	PC-id_42375853,ZINC22_12047607	399.874	WAFSAQDFDMVOMU-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114226
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2	ZINC22_12047604,PC-id_42375851	399.874	WAFSAQDFDMVOMU-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114227
CC(=O)NCc1nnc2CCN(Cc3ccc(o3)c3ccccc3Cl)CCn12	CoCoCo_1137848,CoCoCo_1137847,PC-id_30854041,EMOLS-id_20404566,ZINC22_23130272,MCULE-5893280718	399.874	AFCSQOIGXCMMBY-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-114228
CC(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(o1)c1cccc(c1)Cl	PC-id_28641387,ChEMBL-DNDi_CHEMBL70334800	399.874	WQOOONCVCPWVQZ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-114229
Clc1cccc(c1)CN1CCc2n(CC1)c(nn2)C(NC(=O)c1ccco1)C	ChEMBL-DNDi_CHEMBL51016251,PC-id_45166895	399.874	HMLOLPQOTXFUNG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114230
Clc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccco3)n2CC1	PC-id_28406393,EMOLS-id_20651213,CoCoCo_1495700,CoCoCo_1495699,MCULE-5412202277,ZINC22_19852103	399.874	QKZRPNORUYHHFK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114231
Clc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	ZINC22_20205240,MCULE-1361746652,PC-id_28734355,EMOLS-id_232715601	399.874	WVCCEZFXBBDDMJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114232
Clc1ccc(CN2CCn3c(nnc3CCNC(=O)c3ccoc3)CC2)cc1	PC-id_28100053	399.874	KNTLADVOBQKTOA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114233
Clc1cc(CN2CCn3c(nnc3CCNC(=O)c3ccoc3)CC2)ccc1	PC-id_29258334	399.874	UJXOQOMITDTKPF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114234
Clc1cc(CN2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)ccc1	PC-id_42375785	399.874	HMLOLPQOTXFUNG-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114235
Clc1cc(CN2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)ccc1	PC-id_42375787	399.874	HMLOLPQOTXFUNG-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114236
Clc1cc(n2nnc(C(=O)NCCc3n4CCCCCc4nn3)c2C)ccc1	PC-id_55890790	399.877	MOBKUTHIZAVHFO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114237
O=C(Nc1cc(nn1c1ccc(cc1)Cl)C)NCc1nnc2n1CCCCC2	GD-id_ZINC43789026	399.877	VQWNVXIRCYUFEU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114238
Clc1c(OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)ccc(c1)C#N	PC-id_24500721	399.894	ROODTPHFLZXSJD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114239
Clc1c(O[C@H](C(=O)Nc2sc3CCCCCc3c2C#N)C)ccc(c1)C#N	PC-id_9384008	399.894	ROODTPHFLZXSJD-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114240
Clc1c(O[C@@H](C(=O)Nc2sc3CCCCCc3c2C#N)C)ccc(c1)C#N	PC-id_9384009	399.894	ROODTPHFLZXSJD-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114241
Clc1c(S(=O)(=O)NC)cc(C(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_43043438	399.915	CLHQAFGWCXXLLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114242
Clc1ncccc1S(=O)(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_24650703	399.915	KJEGRXANUBWPHN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-114243
c1(C(C)NC(=O)C2CC2)nnc2CCN(CC(=Cc3ccccc3)Cl)CCn12	MCULE-1055742600,PC-id_45184471	399.917	XAQGDBQFSZBCMZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-114244
C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2	CoCoCo_1215178,ZINC22_14888190,CoCoCo_1215180	399.917	XAQGDBQFSZBCMZ-QLENYVDCSA-N	00100000100000110101000000000010000000000000000000000000	31-01-114245
C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2	ZINC22_14888192,CoCoCo_1215182,CoCoCo_1215184	399.917	XAQGDBQFSZBCMZ-LUJRCDHRSA-N	00100000100000110101000000000010000000000000000000000000	31-01-114246
CC(NC(=O)C1CC1)c1nnc2CCN(C/C(=C/c3ccccc3)/Cl)CCn12	ChEMBL-DNDi_CHEMBL20721315,EMOLS-id_44851773	399.917	XAQGDBQFSZBCMZ-AQTBWJFISA-N	00100000100000110101000000000010000000000000000000000000	31-01-114247
Cl/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)C1CC1)C	CoCoCo_1215179,CoCoCo_1215177	399.917	XAQGDBQFSZBCMZ-COYFKBPASA-N	00100000100000110101000000000010000000000000000000000000	31-01-114248
Cl/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)C1CC1)C	CoCoCo_1215181,CoCoCo_1215183	399.917	XAQGDBQFSZBCMZ-VUODPORTSA-N	00100000100000110101000000000010000000000000000000000000	31-01-114249
c1(NC(=O)CC(c2ccc(cc2)Cl)n2cccc2)sc2c(CCCCC2)n1	EMOLS-id_323273296,MCULE-1968241255	399.937	TUUMTSROYVOZBZ-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-114250
C#CCCCn1c(Sc2cc(OC)ccc2Cl)nc2=C(N)CCC=CC=c12	PC-id_145479920	399.937	KVNRAINIWQYJRQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-114251
Clc1ccc(cc1)C(c1nccn1C)NC(=O)c1cc2c(s1)CCCCC2	MCULE-6276201021,EMOLS-id_29970318,PC-id_43013924	399.937	HSEXMQCDVAFYLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114252
Cn1ccnc1[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccc(Cl)cc1	ZINC22_16262948,CoCoCo_4166323,PC-id_27035324	399.937	HSEXMQCDVAFYLZ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-114253
Cn1ccnc1[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccc(Cl)cc1	ZINC22_16262949,CoCoCo_4166322,PC-id_27035325	399.937	HSEXMQCDVAFYLZ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114254
CC(c1nn(c(c1C[NH2+]Cc1nnc2n1CCCCC2)Cl)c1ccccc1)C	GD-id_ZINC45822141	399.94	WEELKVDNIZDHKR-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-114255
IC1=CC=c2c(=CC1)cc(s2)I	SCHEMBL18597605	400.018	QEZHUKSDEQPYRB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-114256
CC1(C=CC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_155061949	400.101	JHNJBUWDBABJCZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-114257
C[C@@]1(C=CC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_155062044	400.101	JHNJBUWDBABJCZ-IBGZPJMESA-N	00000000100000110111000000000010000000000000000000000000	31-01-114258
C[C@]1(C=CC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_155062045	400.101	JHNJBUWDBABJCZ-LJQANCHMSA-N	00000000100000110111000000000010000000000000000000000000	31-01-114259
CC1(COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)CC#C	PC-id_154682214	400.101	LZCFYQGGRPCUCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114260
CC#CCC1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682078	400.101	NULNNGNDVPZYPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114261
CC#CC[C@H]1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682128	400.101	NULNNGNDVPZYPD-DCXKMBIZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114262
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CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)C(=C)C)C#N	PC-id_161731955	400.121	YEQMLKDFHDJSNF-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114265
c1cc2-c(c(c(c2C(F)(F)F)C(F)(F)F)C(F)(F)F)ccc1C(F)(F)F	PC-id_90327358,SCHEMBL15933617	400.162	ZRLVKIHGUYPBRR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114266
FC(c1cc2-c(cc(c1)C(F)(F)F)c(cc2C(F)(F)F)C(F)(F)F)(F)F	PC-id_102144387	400.162	JJTCTKWIBIPPQR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114267
FC(c1cccc2-c(c1)c(c(c2C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F	7113934_OpenMolecule,PC-id_102144388	400.162	PZPOXZNIHSPMTL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114268
BrC(c1sc2c(CCCCC2)c1)c1ccc(Br)cc1	PC-id_63439285	400.171	DUZSUWAYPJAVAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114269
CC1=C(C=CC(=C1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)N=C(O3)C)(C)C)F	PC-id_161503671	400.18	COZQNJUHVSHFPS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-114270
CC1=C(C=CC(=C1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)ON=C3C)(C)C)F	PC-id_160132852	400.18	VXAHKYWFNGQCOS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-114271
CC1=CC(=CC(=C1C)OC)CC(=O)NC2=C(C3=C(S2)CCCCC3)C(=N)OC	PC-id_146874724	400.182	SPGVSTSVFDHXJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114272
Brc1c2CCN(CCc2sc1C(=O)C(F)(F)F)C(=O)OCC	SCHEMBL1878380,PC-id_67197583	400.211	CBXYLMIMLSBZBU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-114273
Cn1ccc2c1C(O)CCN(CCCN1CCN(c3ccc(F)cc3)CC1)C2=O	PC-id_9952825,SCHEMBL6622904,PD069020,EMOLS-id_232694397	400.23	KBZUFSZQLVRGPR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114274
Brc1c2C(CN(CCc2sc1CC(F)(F)F)C(=O)OCC)C	SCHEMBL1183427,PC-id_66934510	400.254	OIGFHXVXSLDPHP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-114275
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Brc1n2c(CN(CCC2)C)c(n1)C(=O)NC(CC(C)C)C(=O)NC	SCHEMBL1174679,PC-id_66931917	400.314	GSKMECCVUSTAMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114278
Brc1n2c(CN(CCC2)C)c(n1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N	SCHEMBL1174361,PC-id_57635417	400.314	AGSKBCWCTTXEGS-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-114279
Brc1n2c(CN(CCC2)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	SCHEMBL1174256,PC-id_57635118	400.314	WVSDCAFEJYDUBT-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114280
Brc1n2c(CN(CCC2)C)c(n1)C(=O)N[C@@H](CC(C)C)C(=O)NC	SCHEMBL1174676,PC-id_57635259	400.314	GSKMECCVUSTAMA-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-114281
CC(C[C@@H](C(=O)N)NC(=O)Cc1nc(n2c1CN(C)CCC2)Br)C	PC-id_140172229	400.314	PAFBJDASPUCVJE-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114282
CN1CCCn2c(C1)c(CC(=O)N[C@@H](C(C)(C)C)C(=O)N)nc2Br	PC-id_140172232	400.314	FEWHAGXHWRCAGI-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114283
O=c1ccc(=O)on2cc(o1)c(Cn1ncc(c1)c1cccc(c1)C(F)(F)C)n2	PC-id_140810669	400.336	BYIRHUSBJPDDLM-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-114284
O=NC(=O)[C@H](COC(=O)CC(=O)c1cc2c(o1)C(=O)C(=C)/C=CC=C/CC2=O)N	SCHEMBL17345476,PC-id_118584350	400.339	KQODZWJUVIKPEP-POAUOILBSA-N	00000000100000000110000000000010000000000000000000000000	31-01-114285
Brc1ccc(s1)CN(C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112825078	400.357	IAQWERGVCCKMOR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-114286
COc1cc(F)ccc1c1cnn(c1)Cc1nn(c2c1OC(=O)CCC(=O)O2)C	PC-id_140810675	400.36	MNMTVWRSJHEJIX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114287
s1c2CCCCCCc2c(c1NC(=O)c1c(F)c(F)c(F)c(F)c1F)C#N	PC-id_4099321	400.366	ZWMYJRLDJMOOTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114288
CC1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)(F)F)C	PC-id_142742581	400.376	WNBQBRHDFJDDTB-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-114289
C[C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)(F)F)C	SCHEMBL18353515	400.376	WNBQBRHDFJDDTB-VIFPVBQESA-N	00000000100000101111000000000010000000000000000000000000	31-01-114290
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2c(cc(cc2)F)F)C1	PC-id_137636676	400.379	INHZEVJWQWZZQQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114291
O=C1C(CCn2c(N1C)ncc2)NC(=O)c1ccn(n1)Cc1ccc(c(c1)F)F	SCHEMBL18366339	400.382	MDUILUUOVMGWQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114292
O=C1C(CCn2c(N1C)ncc2)NC(=O)c1ncn(c1)Cc1ccc(c(c1)F)F	SCHEMBL18366340	400.382	SPSDCZCKOCAVFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114293
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1ncn(c1)Cc1ccc(c(c1)F)F	SCHEMBL18372819	400.382	ODYBNJWOQOTJEQ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114294
C1CCc2c(CC1)sc(c2C(=O)Nc1ccccc1F)NC(=O)C(F)(F)F	PC-id_137639154	400.39	CSFGVHVUPPUJAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114295
C1CCc2c(CC1)sc(c2C(=O)Nc1ccc(cc1)F)NC(=O)C(F)(F)F	PC-id_137660924	400.39	QEZPCXWVVWSRRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114296
NC(=O)c1c(NC(=O)c2ccc(F)c(C(F)(F)F)c2)sc2c1CCCCC2	MCULE-9467442729,PC-id_53623485,ZINC22_70004213,EMOLS-id_36649707	400.39	IBWXUUUDWJINAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114297
Fc1cc(F)c(c(c1)F)CC(=O)N1CCc2n(CC1)c(nn2)Cc1ccccc1	ChEMBL-DNDi_CHEMBL17706197	400.397	FWUIXTFMAOHUEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114298
CCC1NS(=O)(=O)OCC(c2c1[nH]nc2C(=O)NCc1ccccc1)(F)F	SCHEMBL21207275,PC-id_139356245	400.4	KBAJYELMNAQJGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114299
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)(C)C)Nc1ccnc(c1)C(F)F	SCHEMBL18352806	400.4	SNUYSDIHTPQQNW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114300
S(=O)(=O)(c1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1)C(F)F	PC-id_55602911	400.4	DXUGVFJBVYMWGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114301
Fc1ccc(c2nc(on2)C(NC(=O)Cn2nc3n(CCCCC3)c2=O)C)cc1	PC-id_56222243	400.407	GJCDLWVKXZJOSA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114302
N1(CC(=O)Nc2sc3c(CCCCC3)n2)C(=O)c2c(cc(cc2)N(=O)=O)C1=O	EMOLS-id_334604156,MCULE-8073998473	400.408	BKWCKQZJXXAYNF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-114303
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1c(ccc(F)c1)C)C)C#N	PC-id_37237856	400.466	BWYRPIQPDYZMSG-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114363
N1(CC(=O)Nc2sc3c(CCCCC3)n2)C(=O)c2c(c(ccc2)N(=O)=O)C1=O	MCULE-2873787399,EMOLS-id_334603644	400.408	TXQWVGQOZGLWRY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-114304
s1c2CCCCCCc2c(c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C#N	PC-id_3257259	400.408	AAQGFCXKIRZNBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114305
s1c2CCCCCCc2c(c1NC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1)C#N	PC-id_4078089	400.408	FZTPMQRNKXWRQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114306
FC(c1cc(C2OC(C(O)C(O)C2)CO)ccc1F)c1cc2-c(c1)ccccc2	PC-id_77445025	400.415	CEYXJXYXXCHZSH-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-114307
FC(c1cc([C@@H]2O[C@@H]([C@@H](O)[C@H](O)C2)CO)ccc1F)c1cc2-c(c1)ccccc2	SCHEMBL12440411,PC-id_68264833	400.415	CEYXJXYXXCHZSH-WGAPZLIBSA-N	00000010100010110110100000000010000000000000000000000000	31-01-114308
c1(NC(=O)Cn2c(C)cc(C(F)(F)F)n2)sc2c(CCCCC2)c1C(=O)N	CoCoCo_5818211,PC-id_1222096,ZINC22_997672,EMOLS-id_8244865,MCULE-5994932445	400.419	HTKYHCXBMBGODI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114309
C[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=Nc1ccc(c(c1)C(F)F)F)N)C	SCHEMBL21337087,PC-id_139471092	400.419	QGMXSHIXAVGMDC-VIFPVBQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-114310
O=C(CSc1nnc2n1CCCCC2)NCc1ccccc1OC(F)(F)F	PC-id_29987900,ZINC22_22067470,MCULE-8943857092,EMOLS-id_33339514	400.419	VEJZSQYFZLCKSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114311
S(c1n2CCCCCc2nn1)C(C)C(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_24454085	400.419	IHIXEGDAMDAURD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114312
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)(Cc1ccccc1)C(=O)O	CHEMBL39940,PC-id_10525020,BindingDB_PC-id_10525020	400.428	UVIRZBYZFVCJQG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-114313
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)C(=O)OCc1ccccc1	CHEMBL39406,BindingDB_PC-id_10111589,PC-id_10111589	400.428	FAGUEBJXKGNLIE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-114314
O=c1n2CCCCCc2nn1CC(=O)Nc1c(C(=O)NCCC(=O)N)cccc1	PC-id_56573366	400.432	DNTLCGXHFPPZSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114315
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(cc1)C(=O)NCC(=O)N	PC-id_55868763	400.432	YGAFIIHWMZHINU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114316
O=C(CNC(=O)c1ccc(c(c1)C)[N+](=O)[O-])NCCc1nnc2n1CCCCC2	PC-id_112812246	400.432	AJRIHEMLNGAYCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114317
O=C(N1CCN(CC1)c1cc([N+](=O)[O-])ccc1)Cn1nc2n(CCCCC2)c1=O	PC-id_55742915	400.432	QFOKBKHTBKZNSN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114318
O=C(NCc1nnc2n1CCCCC2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	EMOLS-id_24480823,PC-id_39949730,CoCoCo_3865655,ZINC22_32719672,MCULE-9178279470	400.432	GWUUXUMPYIQMPY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114319
CC(c1ccc(c2-c(c1)c(C)cc2C(C(F)(F)F)(C(=O)c1ccccc1)O)C)C	PC-id_102166725	400.433	BCQJEUHKVQXKFC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-114320
N#CC(c1nnc2n1CCCCC2)C(=O)c1cccc(c1)NC(=O)c1cccnc1	PC-id_112821789	400.433	UYXBWDWVALRCCU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-114321
CC1(C)CNC(=O)c2c(C(=O)N(CCC(F)(F)F)C3CCCCC3)coc2C1	ZINC22_1875343379	400.435	ZMHWSQNPHQELGR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-114322
COc1cccc(c1)N1CC(CC1=O)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625421	400.451	DOJXXVQYIIQEQK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-114342
FC(F)(F)c1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1	EMOLS-id_20453939,PC-id_26278867,MCULE-3632390165,CoCoCo_1205789,CoCoCo_1205788,ZINC22_14882929	400.44	NNZXSTXXXSLDKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114323
FC(F)(F)c1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1	EMOLS-id_32371056,ZINC22_19743200,CoCoCo_1156991,PC-id_28311636,MCULE-8848358215,CoCoCo_1156990	400.44	VSJYIJJTUVPTEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114324
Fc1ccc(CN2CCc3nc(sc3CC2)C(=O)Nc2ccncc2)cc1F	ZINC22_1204225104,EMOLS-id_313790779	400.445	TZFLDJSKGOKKHH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-114325
c1(C(=O)N(C2CCCCC2)Cc2ccc(cc2)F)cc2n(CC(CNC2=O)O)n1	MCULE-7531798482,PC-id_119061416,EMOLS-id_82707481	400.447	ROXKKMYLNJAYMQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114326
COC1(CC(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)CCC1	EMOLS-id_313763788,ZINC22_1565556687	400.447	QHOAINWGXIHLMA-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-114327
O=C1NC[C@H](O)Cn2nc(C(=O)N(Cc3ccc(F)cc3)C3CCCCC3)cc12	ZINC22_426413005	400.447	ROXKKMYLNJAYMQ-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114328
O=C1NC[C@@H](O)Cn2nc(C(=O)N(Cc3ccc(F)cc3)C3CCCCC3)cc12	ZINC22_426413006	400.447	ROXKKMYLNJAYMQ-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114329
COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(O)c1	MCULE-7899757114,EMOLS-id_19405234,ZINC22_20866055,CoCoCo_3115110,PC-id_24380495	400.448	YGFLTDKGAZEJSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114330
COc1cc(CNC(=O)n2sc3=C=CCC=CC=c3c2=O)cc(c1OC)OC	SCHEMBL19789959	400.448	GBBRVVBBMFIOIL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-114331
COC(=O)c1c(NC(=O)Cn2c(=O)oc3ccccc23)sc2c1CCCCC2	PC-id_9362994,MCULE-3738973506,EMOLS-id_3663140,ZINC22_8232416,CoCoCo_2805599	400.448	LIQJBWFFYBGVPL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114332
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_4693264	400.448	VMGLPDYLRJDEQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114333
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_6187792	400.448	VMGLPDYLRJDEQH-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114334
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_4161976	400.448	DEVNVLIMXYZRNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114335
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_6024964	400.448	DEVNVLIMXYZRNH-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114336
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(cc(=O)oc1C)C)C#N	PC-id_33272213	400.448	KWQYCZCDUWMDRJ-UHFFFAOYSA-N	00000000100000100100000000000010000000000000000000000000	31-01-114337
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(OC)ccc1O)C#N	PC-id_24376826	400.448	MAICEEIVMHWSNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114338
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(O)c(O)c(cc1)C)C#N	PC-id_56320236	400.448	DYHYWAQNJDUYND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114339
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(O)c(OC)ccc1)C#N	PC-id_45634270	400.448	FJHGDCPBZRDLGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114340
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)NS(=O)(=O)c2ccccc2)C1	PC-id_137633299	400.451	FAYISLPEMYAYOI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114341
COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625422	400.451	IHQPDHSSIZQRIR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-114343
COC(=O)c1c(NC(=O)COc2ccc3nncn3c2)sc2c1CCCCC2	ZINC22_1875334444	400.451	OLXOPTHXYFQUGO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114344
s1c2c(CCCCC2)c(c1NC(=O)CCc1onc(n1)c1occc1)C(=O)N	PC-id_55555505	400.451	ZXTHVXJAIOOTCW-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-114345
s1c2CCCCCc2c(c1NC(=O)[C@@H](Oc1c(nc(cc1)C)[N+](=O)[O-])C)C#N	PC-id_8255998	400.451	VZPMGOTWQGMIIH-LBPRGKRZSA-N	00000000100000101100000000000010000000000000000000000000	31-01-114346
s1c2CCCCCc2c(c1NC(=O)[C@H](Oc1c(nc(cc1)C)[N+](=O)[O-])C)C#N	PC-id_8256003	400.451	VZPMGOTWQGMIIH-GFCCVEGCSA-N	00000000100000101100000000000010000000000000000000000000	31-01-114347
s1c2CCCCCc2c(c1NC(=O)C(Oc1c(nc(cc1)C)[N+](=O)[O-])C)C#N	PC-id_78644604	400.451	VZPMGOTWQGMIIH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-114348
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)S(=O)(=O)Nc2ccccc2)C1	PC-id_137653519	400.452	KCSBUDJPDAQDLR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114349
C=Cc1ccc(cc1)Cn1cnc2c1c(=O)nc([nH]c2=O)[NH+](Cc1ccccc1)C	GD-id_ZINC19641335,PC-id_28250534	400.453	NFUGNEVZYAFDCM-UHFFFAOYSA-O	00000000100000110111000000000010000000000000000000000000	31-01-114350
Cc1cccc(c1)S(=O)(=O)N1CCc2n(CC1)c(nn2)COc1cncnc1	PC-id_97519294	400.455	QAHQJSINYFLTEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114351
CC(=O)Nc1ccc2nc(NC(=O)Cn3nc4n(c3=O)CCCCC4)sc2c1	PC-id_25613212,EMOLS-id_24108091,ZINC22_12930021,CoCoCo_4758744,MCULE-4264026046	400.455	OZKZQJISBDMYIP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114352
s1c2cc(NC(=O)Cn3nc4n(CCCCC4)c3=O)ccc2nc1NC(=O)C	PC-id_55971376	400.455	UYBTXVLAMNTXFM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114353
S(c1n(nnn1)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1)C	PC-id_55609124	400.458	NFDOFFYDUZWSGF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114354
Fc1ccc(c(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCCCCC2)F	CoCoCo_3840147,GD-id_ZINC08108094,MCULE-9890702399,EMOLS-id_16802019,PC-id_9238219	400.463	AAPUTWIYBYPPEQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114355
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(F)cc(F)c1	PC-id_26952084	400.463	JDOOXSJGHDCEAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114356
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(F)c(F)cc1	PC-id_8482891	400.463	YLLXFJFQXDGRKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114357
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(F)cccc1F	PC-id_8482914	400.463	AZRXLHAOIJORCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114358
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(F)cc(F)cc1	PC-id_8482881	400.463	QBRWBNKHPHKFKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114359
s1c2CCCCCCc2nc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1	PC-id_60572007	400.463	FDUDJFIENQXALI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114360
N#CCCN(C(=O)COC(=O)c1cc2c(s1)CCCCC2)c1ccccc1F	PC-id_4856335,EMOLS-id_3469348,ZINC22_6943845,CoCoCo_2861345,MCULE-3907423154	400.466	JVBVYWWYBWKNTC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114361
s1c2CCCCCc2cc1C(=O)OCC(=O)N(CCC#N)c1ccc(F)cc1	PC-id_16509400	400.466	IYHALKMCNDVOAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114362
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1c(ccc(F)c1)C)C)C#N	PC-id_37237857	400.466	BWYRPIQPDYZMSG-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114364
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1cc(F)c(cc1)C)C)C#N	PC-id_9387291	400.466	KCXAREFQYUOHGG-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114365
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1cc(F)c(cc1)C)C)C#N	PC-id_9387292	400.466	KCXAREFQYUOHGG-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114366
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)Cc1cc(F)ccc1)C)C#N	PC-id_8560270	400.466	UTMAJJMHDPGPMX-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114367
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)Cc1cc(F)ccc1)C)C#N	PC-id_8560287	400.466	UTMAJJMHDPGPMX-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114368
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)Cc1c(F)cccc1)C)C#N	PC-id_8958319	400.466	MJOFLKCMEVJGSK-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114369
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)Cc1c(F)cccc1)C)C#N	PC-id_8958321	400.466	MJOFLKCMEVJGSK-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114370
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(ccc(F)c1)C)C)C#N	PC-id_74656058	400.466	BWYRPIQPDYZMSG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114371
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(F)c(cc1)C)C)C#N	PC-id_55425302	400.466	KCXAREFQYUOHGG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114372
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cc1cc(F)ccc1)C)C#N	PC-id_55421068	400.466	UTMAJJMHDPGPMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114373
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cc1c(F)cccc1)C)C#N	PC-id_84883750	400.466	MJOFLKCMEVJGSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114374
CCCCCc1c(NC(=O)C)c(c2-c1ccc(cc2)CC(=O)NO)C(=O)OCC	PC-id_141580580	400.468	LWZCUGRWMNCKKR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114375
CCOC(=O)c1c(NC(=O)C)c(c2-c1ccc(cc2)CC(=O)NO)CCC(C)C	PC-id_141580618	400.468	FYSYFMAGHSYXDC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114376
O(c1c(NC(=O)C)c(CCC(C)C)c2-c1ccc(cc2C)C(=O)NOCC)C=O	PC-id_56985410	400.468	LWMOAJHOQIZCTP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114377
O(c1c(NC(=O)C)c(CCCCC)c2-c1ccc(cc2C)C(=O)NOCC)C=O	PC-id_57294414	400.468	MRYFNXZHRBBZTG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114378
O=Cc1cc(C(c2c3-c(c(c2)C=O)ccccc3)c2ccccc2)c2-c1ccccc2	PC-id_15440517	400.468	VGBTUOJMJFQRRM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-114379
C/C=C/c1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)C(=O)CCCC2	PC-id_58153836,SCHEMBL683753	400.47	XCMUFHRVUZEADI-FARCUNLSSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114380
O=C1c2n(Cc3ccc(cc3)c3c(cccc3)C(=O)O)c(nc2CCCC1)C=CC	PC-id_76688533	400.47	XCMUFHRVUZEADI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114381
s1c(CN(C(=O)Cn2nc3n(CCCCC3)c2=O)c2ccc(F)cc2)ccc1	PC-id_55890659	400.47	CQJVFLMALQTFRT-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-114382
Cc1ccc(c(c1)OC1CCOC1)CNC(=O)Cn1nc2n(c1=O)CCCCC2	MCULE-3121936989,EMOLS-id_320347440,PC-id_139005767	400.471	NHPLCSVQBPFTHV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-114383
Cc1ccc(CNC(=O)Cn2nc3n(c2=O)CCCCC3)c(O[C@H]2CCOC2)c1	ZINC22_1319609942	400.471	NHPLCSVQBPFTHV-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-114384
Cc1ccc(CNC(=O)Cn2nc3n(c2=O)CCCCC3)c(O[C@@H]2CCOC2)c1	ZINC22_1319609948	400.471	NHPLCSVQBPFTHV-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-114385
COc1cc(OC)ccc1CN1CCCn2c(C1)cc(n2)C(=O)N1CCOCC1	EMOLS-id_32373558,MCULE-7859843598,PC-id_50951028	400.471	SDGJDDKEWDAKAD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114386
O1C(CCC1)COc1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc(c1)C	PC-id_56041000	400.471	CLWRRJPUAUISLM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-114387
O1C(CCCC1)COc1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_56047462	400.471	VAHLROHZBSNQHX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114388
OC1CCN(CCCN2CCN(CC2)C(=O)c2occc2)C(=O)c2c1n(cc2)C	PC-id_69892073,SCHEMBL6773130	400.471	FOLGCPOUQCCDDK-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-114389
O=c1n2CCCCCc2nn1CC(=O)NCC(Cc1ccccc1)C(=O)OCC	PC-id_56152207	400.471	TWHKYNRKYCZPIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114390
O=c1n2CCCCCc2nn1CC(=O)N(CC(C)C(=O)OC)Cc1ccccc1	PC-id_56295522	400.471	YSFKJDUBNJARGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114391
O=c1n2CCCCCc2nn1CC(=O)OCCNC(=O)CCc1ccc(cc1)C	PC-id_56429361	400.471	KVLDFXMDUBMCFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114392
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)NCc1cccnc1	PC-id_27522393	400.471	TUPINCNZPNCASG-UHFFFAOYSA-M	00000000100000101100000000000010000000000000000000000000	31-01-114393
CC1=Cc2c(CCC=C1)[nH]c(=O)n2Cc1ccc(cc1)C(=O)Nc1ccccc1N	PC-id_143247660	400.473	FSFVLHYWXZAWDM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-114394
Cc1cccc(COC2CN(Cc3cccn3C2)C(=O)c2cc3ccccc3[nH]2)n1	EMOLS-id_55749615	400.473	QYGVNWOYAMGOFF-UHFFFAOYSA-N	00000000100000101101000001100010000000000000000000000000	31-01-114395
Cc1cccc(CO[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)Cc3cccn3C2)n1	ZINC22_575405050	400.473	QYGVNWOYAMGOFF-NRFANRHFSA-N	00000000100000101101000001100010000000000000000000000000	31-01-114396
Cc1cccc(CO[C@H]2CN(C(=O)c3cc4ccccc4[nH]3)Cc3cccn3C2)n1	ZINC22_575405051	400.473	QYGVNWOYAMGOFF-OAQYLSRUSA-N	00000000100000101101000001100010000000000000000000000000	31-01-114397
Fc1ccc(cc1)c1[nH]/c(=N/C(=O)NCc2nnc3n2CCCCC3)/sc1C	GD-id_ZINC43441178	400.473	WFGAXBSPTZIHIL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114398
Fc1ccc(cc1)CC(n1nnnc1C)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112830743	400.473	USEZBJZSOHZVNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114399
Fc1cccc(c1)CC(n1nnnc1C)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112830744	400.473	GQKUZIGKOKUKQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114400
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4nccs4)CCn23)c1	ZINC22_14883142,EMOLS-id_20454615,PC-id_26279121,MCULE-5560140065,CoCoCo_1206657,CoCoCo_1206658	400.473	ARRXFEZTPYMMOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114401
O(c1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1OC)Cc1ccccc1	PC-id_4809595	400.473	MPQOUWVSWDDMEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114402
O(c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1OC)Cc1ccccc1	PC-id_6213824	400.473	MPQOUWVSWDDMEI-XSFVSMFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114403
O(c1c(OC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1)Cc1ccccc1	PC-id_78565660	400.473	KARQENJYRLAJRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114404
O(c1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)Cc1ccccc1	PC-id_7911809	400.473	KARQENJYRLAJRV-XSFVSMFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114405
O=C(NC1CC1)c1nn2c(CN(CCC2)C(=O)c2c(c3ccccc3)cccc2)c1	PC-id_50982661	400.473	VMFPWECXDJAPDS-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-114406
S(c1n(c(C(=O)NCc2n3CCCCCc3nn2)cn1)c1ccc(F)cc1)C	PC-id_24646621	400.473	PYEVMBDCJWQJTE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114407
C#CCCC1(CCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)Cc3ccnn3C2)N=N1	ZINC22_2325894972	400.475	CWLFCHKROUUXRI-HNNXBMFYSA-N	00110000100000000101000000000010000000000000000000000000	31-01-114408
C#CCCC1(CCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)Cc3ccnn3C2)N=N1	ZINC22_2325894973	400.475	CWLFCHKROUUXRI-OAHLLOKOSA-N	00110000100000000101000000000010000000000000000000000000	31-01-114409
CC(C(=O)N1CCN(CC1)Cc1nnc2n1CCCCC2)NC(=O)c1ccoc1	MCULE-7360508075,EMOLS-id_30260585,PC-id_45913948	400.475	KNMIGQOXQPHANZ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-114410
Cn1nccc1CCC(=O)N1CCc2nc(cn2CC1)C(=O)N1CCCC1CO	EMOLS-id_331114781	400.475	DUTQAGKMDCFISP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-114411
Cn1nccc1CCC(=O)N1CCc2nc(C(=O)N3CCC[C@H]3CO)cn2CC1	ZINC22_1875243933	400.475	DUTQAGKMDCFISP-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-114412
Cn1nccc1CCC(=O)N1CCc2nc(C(=O)N3CCC[C@@H]3CO)cn2CC1	ZINC22_1875243934	400.475	DUTQAGKMDCFISP-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-114413
COCCC(=O)N1CCn2c(CC1)nnc2C(C(C)C)NC(=O)c1ccccn1	ChEMBL-DNDi_CHEMBL10773296	400.475	XNFUQKYVCJIIKV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114414
N#Cc1c(NC(=O)Cn2c(c3cccs3)noc2=O)sc2c1CCCCC2	MCULE-2240869589,ZINC22_72033697,PC-id_47772040,EMOLS-id_50559876	400.475	CUSYVRHPMUZCAM-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-114415
N#Cc1c(NC(=O)Cn2nc(c3cccs3)oc2=O)sc2c1CCCCC2	ZINC22_15398987,EMOLS-id_36258532,PC-id_26566433,MCULE-1523431993	400.475	JDLKYLFXTABMPW-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-114416
N#CC(=C(c1cc(c2-c1ccccc2)C(C)(C)C)C(=C(C#N)C#N)C1C=CC=C1)C#N	PC-id_101439452	400.475	XHSNJQZCWSQSEC-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-114417
O1C(CN(CC1)c1ncc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C	PC-id_55725422	400.475	ARXOITXENGEHMG-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-114418
O1C(CN(CC1C)c1ncc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C	PC-id_55786449	400.475	ICZXOMBWMIPYIC-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-114419
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(NC(=O)NC(C)C)cc1	PC-id_55693961	400.475	BHNSUUWGFFKJIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114420
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(NC(=O)CN(C)C)ccc1	PC-id_55800339	400.475	JHHILQLRLPTTPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114421
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CCNC(=O)c1ccoc1	PC-id_46430622	400.475	JALNEBMEVGKHRN-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-114422
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)[C@@H](NC(=O)c1ccoc1)C	PC-id_51963874	400.475	KNMIGQOXQPHANZ-HNNXBMFYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-114423
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)[C@H](NC(=O)c1ccoc1)C	PC-id_51963875	400.475	KNMIGQOXQPHANZ-OAHLLOKOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-114424
c1(C(=O)N2CCn3c(CC2)nc(CCc2ccccc2)n3)cn2c(cccc2C)n1	EMOLS-id_337664730,ZINC22_2100541275,MCULE-3199911221	400.476	YRTRRVHGCLCYBC-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-114425
Cc1nc2cc(ccc2[nH]1)C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1	MCULE-5211208280,PC-id_56710343,ZINC22_67834151,EMOLS-id_36440604	400.476	CDPBCZKGAYZGBX-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-114426
O=C(NCc1n2CCN(CCc2nn1)Cc1[nH]c2c(c1)cccc2)c1ccccc1	PC-id_42360336	400.476	VVXXMYGEWLHKEU-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-114427
c12CN(CCCn1nc(CN1CCN(CC1)c1cn[nH]c(=O)c1)c2)C(=O)CCN	MCULE-1229048407,PC-id_56895862,ZINC22_72426637,EMOLS-id_43113785	400.478	MVDKLQYSRPXKCM-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-114428
O=c1n2CCCCCc2nn1CC(=O)NCCN1CCN(CC1)c1ncccn1	PC-id_55930773	400.478	NOVQZFCTRBJDLG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-114429
CN=C(NC1CCCC(C1)C(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_112075968	400.485	FQCRVKAWKIKBLS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-114430
CN=C(NC1CCC(CC1)C(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_112076096	400.485	QPDDZHQLMHVVDV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-114431
c1(C(=O)NCCCN2CCN(CC2)c2ccc(cc2)F)c2CCCCCc2on1	PC-id_20923875,CoCoCo_2401431,EMOLS-id_16234851,MCULE-5528131667,CoCoCo_2401430	400.49	RWXKELQJDWXVIQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114432
CCCN(CC1CC1)C(=O)C1CCCCc2nn(Cc3cccc(F)c3)c(=O)n12	MCULE-1005388287,EMOLS-id_207869478	400.49	JEOGQTBBSYVQRA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-114433
Cn1ccc2c1[C@H](O)CCN(CCCN1CCN(c3ccc(F)cc3)CC1)C2=O	SCHEMBL7496420,PC-id_9930860,ZINC22_1489714	400.49	KBZUFSZQLVRGPR-HXUWFJFHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114434
Cn1ccc2c1[C@@H](O)CCN(CCCN1CCN(c3ccc(F)cc3)CC1)C2=O	ZINC22_3919820,EMOLS-id_337889161,SCHEMBL6622902,PC-id_9801124	400.49	KBZUFSZQLVRGPR-FQEVSTJZSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114435
COC1CCN(C(=O)c2c1n(C)cc2)CCN1CCN(CC1)c1ccc(cc1)F	PC-id_22738021,SCHEMBL6774919	400.49	PSOWSAQUVYOMLH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114436
Fc1ccc(C2(CCCCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56041496	400.49	KNSRDPFDYCMVJS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114437
Fc1cccc(c1)C1(CNC(=O)CCc2cc3CNCCCn3n2)CCOCC1	EMOLS-id_43156754,PC-id_70767628,MCULE-6567532212,ZINC22_72470095	400.49	UEEJGUFDIFCSJX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114438
Fc1cccc(c1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)O	SCHEMBL6774921,PC-id_10787170	400.49	ULEXGIMEUWAXDH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114439
Fc1ccccc1N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)O	SCHEMBL6779776,PC-id_10668702	400.49	QILRJZYYTDCQKC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114440
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)cn(c2)C)O	PC-id_10834841,SCHEMBL6774305	400.49	XPPWOUOSCWGVFD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114441
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)n(C)cc2)O	PC-id_10787171,SCHEMBL6994119	400.49	DLPOGJKBYWWUBY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114442
Fc1cccc(Cn2nc3CCCCC(C(=O)NCC4CCCCC4)n3c2=O)c1	EMOLS-id_207869544,MCULE-5086178716	400.49	QKXYVZDJPMEBIT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114443
Fc1ccc(CCN(C2CCCC2)C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_78853646	400.49	KQAUMGMMCDJTRB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-114444
O=C(c1ccc(F)cc1)C1CCN(CCCn2nc3n(c2=O)CCCCC3)CC1	SCHEMBL9378971,PC-id_15105368,CHEMBL57001	400.49	PIIBTNNZRKMORK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114445
c1(c2CCCCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1ccccc1	ZINC22_17081944,EMOLS-id_4079007,CoCoCo_6831754,MCULE-5995653536,TIMTEC313112,PC-id_17377020	400.491	MMZRDEIFTHURSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114446
c1(c2CCCCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1ccccc1C	PC-id_1047346,EMOLS-id_1116810,CoCoCo_6892818,TIMTEC28665,ChEMBL-DNDi_CHEMBL3261-0824,MCULE-8214289864,ZINC22_722391,SPECS-id_AG-667/37281051	400.491	QKQJKRSKGNIZGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114447
c1(NC(=O)c2cc(c(OC)c(OC)c2)OC)sc2c(CCCCCC2)c1C#N	EMOLS-id_4078997,PC-id_1743198,MCULE-3823228831,CoCoCo_6791514,ZINC22_2084444,TIMTEC526495	400.491	WKZVAUSAZJPKNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114448
c1(NC(=O)CCC(=O)O)sc2c(CCCCC2)c1C(=O)NCc1ccccc1	ZINC22_17081972,EMOLS-id_4079035,PC-id_17377521,MCULE-3659467332,CoCoCo_6833233,TIMTEC105890	400.491	CPSXQXGIQFTEPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114449
CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1	CoCoCo_2861448,MCULE-9509890115,CHEMBL1436062,PC-id_7352144,EMOLS-id_18887081,ZINC22_4768083	400.491	FBGKXPPTIUQILY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114450
COC(=O)c1c(NC(=O)CNc2cccc(C(=O)C)c2)sc2c1CCCCC2	CoCoCo_3371584,MCULE-5876027847,EMOLS-id_16709279,ZINC22_7972444,PC-id_9099436	400.491	KGBCHBHWIGSIRA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114451
COC(=O)c1c(NC(=O)CNc2ccc(C(=O)C)cc2)sc2c1CCCCC2	ZINC22_12536587,PC-id_25342934,MCULE-6895670342,EMOLS-id_48946795,CoCoCo_3640994	400.491	VIRLIXYTMPBPNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114452
O=C(c1sc2c(c1)CCCCCC2)NNC(=O)c1oc2c(c1C)C(=O)CCC2	MCULE-7626970202,PC-id_71942027,EMOLS-id_45636457	400.491	ILLUESJXCZXNMZ-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-114453
OC(=O)CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)C)CCCCC2	ChEMBL-DNDi_CHEMBL1582563,CHEBI:107587,PC-id_3131591,CoCoCo_201147,CHEMBL1582563	400.491	PCAAPIJWXOJZEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114454
s1c2CCCCCc2cc1C(=O)NC(c1cc(OC)c(OC)c(OC)c1)C#N	PC-id_56324336	400.491	GGOXICIPJYPUPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114455
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OCC=C)cc1	PC-id_24554134	400.491	OJHNRMHXLOFASR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114456
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1cc(OC)cc(OC)c1	PC-id_84927785	400.491	VKTRONLSFRGWCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114457
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1cc(OC)cc(OC)c1	PC-id_9092563	400.491	VKTRONLSFRGWCJ-CMDGGOBGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114458
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1cc(OC)c(OC)cc1	PC-id_84974430	400.491	NMYCNIDPDGCPRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114459
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1cc(OC)c(OC)cc1	PC-id_9301174	400.491	NMYCNIDPDGCPRV-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114460
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1c(OC)cc(OC)cc1	PC-id_84974440	400.491	NCBGEDOMQFGNLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114461
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1c(OC)cc(OC)cc1	PC-id_9301225	400.491	NCBGEDOMQFGNLW-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114462
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1c(OC)c(OC)ccc1	PC-id_84974449	400.491	HKVHKYRNBVCZJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114463
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1c(OC)c(OC)ccc1	PC-id_9301283	400.491	HKVHKYRNBVCZJP-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114464
s1c2CCCCCc2cc1C(=O)NNC(=O)C(Oc1cc(ccc1)C(=O)C)C	PC-id_56179925	400.491	CAPRXIGHTJGMPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114465
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1ccc(C(=O)CC)cc1	PC-id_31845916	400.491	SHHXYEJYYHXZGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114466
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(ccc1)C(=O)NCC	PC-id_9403074	400.491	HTRYUJXKRDIDBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114467
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1ccc(NC(=O)C)cc1)C	PC-id_16509371	400.491	OFUPJFJLUXDUPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114468
s1c2CCCCCc2cc1C(=O)OCC(=O)N(CCC(=O)N)c1ccccc1	PC-id_27325134	400.491	VEWPJAMEPPWSCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114469
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)Nc1c(cc(cc1)C)C	PC-id_7351926	400.491	DFHDGXBMHDKVLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114470
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(NC(=O)C)cc1)C	PC-id_7649813	400.491	OFUPJFJLUXDUPF-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114471
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(NC(=O)C)cc1)C	PC-id_7649815	400.491	OFUPJFJLUXDUPF-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114472
s1c2c(CCCCC2)c(c1NC(=O)c1cc(c(cc1)C)C)C(=O)NC(=O)OC	PC-id_7521877	400.491	ROXNVERQNRQMPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114473
s1c2c(CCCCC2)c(c1NC(=O)c1c(ccc(c1)C)C)C(=O)NC(=O)OC	PC-id_7521899	400.491	WQQJIYHTVFFHFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114474
s1c2c(CCCCC2)c(c1NC(=O)c1c(cc(cc1)C)C)C(=O)NC(=O)OC	PC-id_7521900	400.491	CFWDNWMTUYIJNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114475
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C)C(=O)NC(=O)OCC	PC-id_7521910	400.491	VTVXWDFGXDDTQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114476
s1c2c(CCCCC2)c(c1NC(=O)c1cc(ccc1)C)C(=O)NC(=O)OCC	PC-id_7521911	400.491	NXSCOIMKZPPCGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114477
s1c2c(CCCCC2)c(c1NC(=O)c1c(cccc1)C)C(=O)NC(=O)OCC	PC-id_7521930	400.491	WIPGOWNWKUDRQU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114478
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)CNC(=O)C)C(=O)OC	PC-id_55697950	400.491	XLKVXYJCNXXYAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114479
s1c2c(CCCCC2)c(c1NC(=O)c1cc(NC(=O)CC)ccc1)C(=O)OC	PC-id_55873200	400.491	VVNOURXHQLQCBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114480
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(cc1)C)C(=O)NC(=O)OC	PC-id_41617357	400.491	DBLDEKRZLKNHDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114481
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccccc1)C(=O)NC(=O)OCC	PC-id_7521937	400.491	ZAACEQHRQBKRLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114482
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(NC(=O)C)cc1)C(=O)OC	PC-id_55697951	400.491	ZJNDLAXUNWBWID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114483
s1c2c(CCCCC2)c(c1NC(=O)CCc1ccccc1)C(=O)NC(=O)OC	PC-id_7521894	400.491	ZBJCOMPETYOYTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114484
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1cc(OC)c(OC)cc1)C(=O)N	PC-id_3411705	400.491	YZZMVSLOBOHQAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114485
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OC)cc1)C(=O)N	PC-id_5818656	400.491	YZZMVSLOBOHQAQ-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114486
s1c2c(CCCCC2)c(c1NC(=O)CCNC(=O)c1ccccc1)C(=O)OC	PC-id_55762833	400.491	GTYDNIZFPGQGJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114487
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1c(c(oc1C)C)C)C)C#N	PC-id_9528375	400.491	WKHPXLHRYDZQHO-AWEZNQCLSA-N	00000000101000000100000000000010000000000000000000000000	31-01-114488
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1c(c(oc1C)C)C)C)C#N	PC-id_9528378	400.491	WKHPXLHRYDZQHO-CQSZACIVSA-N	00000000101000000100000000000010000000000000000000000000	31-01-114489
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(c(oc1C)C)C)C)C#N	PC-id_85031914	400.491	WKHPXLHRYDZQHO-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-114490
s1c2CCCCCCc2cc1C(=O)Nc1ccc(cc1)C(=O)NCC(=O)OC	PC-id_55396838	400.491	YFUVWLKPHIJOSN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114491
s1c2CCCCCCc2cc1C(=O)OC(C)C(=O)NNC(=O)c1ccccc1	PC-id_84882157	400.491	VZNGNMLUWSMSIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114492
s1c2CCCCCCc2cc1C(=O)OC(C(=O)Nc1ccc(cc1)C(=O)N)C	PC-id_24341562	400.491	GYWHQPDIWGTHTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114493
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1ccc(NC(=O)C)cc1	PC-id_7618763	400.491	XKTLQXODLKDFFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114494
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1cc(NC(=O)C)ccc1	PC-id_7618158	400.491	FQOVVDFGEOOGHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114495
s1c2CCCCCCc2cc1C(=O)O[C@@H](C)C(=O)NNC(=O)c1ccccc1	PC-id_8953976	400.491	VZNGNMLUWSMSIC-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114496
s1c2CCCCCCc2cc1C(=O)O[C@H](C)C(=O)NNC(=O)c1ccccc1	PC-id_8953979	400.491	VZNGNMLUWSMSIC-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114497
s1c2CCCCCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(cc1)C(=O)N)C	PC-id_7618552	400.491	GYWHQPDIWGTHTH-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114498
s1c2CCCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(cc1)C(=O)N)C	PC-id_7618556	400.491	GYWHQPDIWGTHTH-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114499
s1c2c(CCN(Cc3ccccc3)C=C(C2)C(=O)OC)c(c1N)C(=O)OCC	PC-id_75084934	400.491	SDLJVNWWTCKACJ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-114500
CN=C(N1CC(C)OC(C1)c1ccc(cc1)F)NCc1nnc2n1CCCCC2	PC-id_109522977	400.493	USVAZYFTEVHBJO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114501
c12C(=O)NCC(O)Cn1nc(C(=O)N1CCC(CC1)Sc1ccccc1C)c2	MCULE-6333783237,PC-id_119061359,EMOLS-id_82707321	400.495	BDPQXWJQZSCZML-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114502
CC(c1ccc(c2-c(c1)c(C)cc2NC(=O)C(N1CCC1=O)c1ccccc1)C)C	PC-id_122376562	400.513	KWWJBAYLEBIPCU-UHFFFAOYSA-N	00001010100000110110000000000010000000000000000000000000	31-01-114582
c12C(=O)NCC(O)Cn1nc(C(=O)N1CCC(CC1)Sc1ccc(cc1)C)c2	PC-id_119063085,EMOLS-id_82712005,MCULE-3281280320	400.495	DCZXIGAPDUVSIK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114503
c12C(=O)NCC(O)Cn1nc(C(=O)N1CCC(CC1)Sc1cccc(C)c1)c2	MCULE-8592269671,PC-id_119073887,EMOLS-id_82740933	400.495	UZTPIRHJLFRMBM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114504
C1CCCCCc2c(CCCC1)c(c(s2)/N=C/c1c([nH]c(=O)[nH]c1=O)O)C#N	PC-id_135469915	400.495	NRDQQHTVXFVMHP-WSDLNYQXSA-N	00000000100000100101000000000010000000000000000000000000	31-01-114505
c1(cccn(CC(=O)Nc2sc3c(CCCCC3)n2)c1=O)C(=O)NCC1CC1	ZINC22_19749941,PC-id_92635129,MCULE-7182056841,BDB-26402069,EMOLS-id_134309	400.495	CMSYLPAPQWTEPO-UHFFFAOYSA-N	00100000100000101101000000000010000000000000000000000000	31-01-114506
c1(C#N)c2CCCCCCCCCCc2sc1N/C=C
/C(=O)NC(=O)NC1=O	ZINC22_5789245,MCULE-5618158302,CoCoCo_5987476,PC-id_5595219,STOCK3S-84817,CoCoCo_5987477	400.495	DBFMUHHJLSNVJT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-114507
c1(NC(=O)CCC(=O)Nc2cccc(c2)NC(=O)C)sc2c(CCCCC2)n1	EMOLS-id_335000533,MCULE-9595884310	400.495	RVPZXXHKBPOEQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114508
c1(NC(=O)CCC(=O)Nc2ccc(cc2)NC(=O)C)sc2c(CCCCC2)n1	MCULE-8447721303,EMOLS-id_334995167	400.495	LFTZUWYFVMZZTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114509
Cc1ccccc1SC1CCN(C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)CC1	ZINC22_426410402	400.495	BDPQXWJQZSCZML-AWEZNQCLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114510
Cc1ccccc1SC1CCN(C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC1	ZINC22_426410403	400.495	BDPQXWJQZSCZML-CQSZACIVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114511
Cc1cccc(SC2CCN(C(=O)c3cc4n(n3)C[C@@H](O)CNC4=O)CC2)c1	ZINC22_426705894	400.495	UZTPIRHJLFRMBM-AWEZNQCLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114512
Cc1cccc(SC2CCN(C(=O)c3cc4n(n3)C[C@H](O)CNC4=O)CC2)c1	ZINC22_426705897	400.495	UZTPIRHJLFRMBM-CQSZACIVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114513
Cc1ccc(SC2CCN(C(=O)c3cc4n(n3)C[C@@H](O)CNC4=O)CC2)cc1	ZINC22_426442480	400.495	DCZXIGAPDUVSIK-AWEZNQCLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114514
Cc1ccc(SC2CCN(C(=O)c3cc4n(n3)C[C@H](O)CNC4=O)CC2)cc1	ZINC22_426442481	400.495	DCZXIGAPDUVSIK-CQSZACIVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114515
CCC(C)CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1cnc(cc1)N	PC-id_91302772	400.495	RLXFGVCCQAZBTA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114516
CCN(CC)c1ncc(cc1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)C	PC-id_90825737	400.495	PLHRWLCIVUORRV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114517
CC(=O)Nc1cccc(c1)C(NC(=O)C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_145895837,MCULE-4510798615,EMOLS-id_324013094	400.495	SXCGPGHKBGWNLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114518
CC(=O)Nc1cccc([C@@H](C)NC(=O)C(=O)Nc2nc3c(s2)CCCCC3)c1	ZINC22_434728121	400.495	SXCGPGHKBGWNLQ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114519
CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)Nc2nc3c(s2)CCCCC3)c1	ZINC22_434728123	400.495	SXCGPGHKBGWNLQ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114520
COc1cccc(NC(=O)N2CCc3nc(C(=O)N4CCCC4)sc3CC2)c1	ZINC22_96147038,PC-id_97442562,EMOLS-id_44304046	400.495	WYLOOQOHTDXTRG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-114521
O1c2cc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)C)CC(C)C)CC3)ccc2OC1	PC-id_26323587	400.495	CAPBJPGKBXOBPE-QGZVFWFLSA-O	00000010100000100101000000001010000000000000000000000000	31-01-114522
O1c2cc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)C)CC(C)C)CC3)ccc2OC1	PC-id_26323590	400.495	CAPBJPGKBXOBPE-KRWDZBQOSA-O	00000010100000100101000000001010000000000000000000000000	31-01-114523
O1c2cc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)CC)C(C)C)CC3)ccc2OC1	PC-id_42330721	400.495	PXHDLYHOAVJRAT-FQEVSTJZSA-O	00000010100000100101000000001010000000000000000000000000	31-01-114524
O1c2cc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)CC)C(C)C)CC3)ccc2OC1	PC-id_42330726	400.495	PXHDLYHOAVJRAT-HXUWFJFHSA-O	00000010100000100101000000001010000000000000000000000000	31-01-114525
O1c2cc(C[NH+]3CCn4c(nnc4C(NC(=O)C)CC(C)C)CC3)ccc2OC1	PC-id_74496409	400.495	CAPBJPGKBXOBPE-UHFFFAOYSA-O	00000010100000100101000000001010000000000000000000000000	31-01-114526
O1c2cc(C[NH+]3CCn4c(nnc4C(NC(=O)CC)C(C)C)CC3)ccc2OC1	PC-id_74843797	400.495	PXHDLYHOAVJRAT-UHFFFAOYSA-O	00000010100000100101000000001010000000000000000000000000	31-01-114527
O1C(CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1cc(OC)ccc1	PC-id_74786929	400.495	PNXZYGYBDICEKE-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-114528
O1[C@@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1cc(OC)ccc1	PC-id_42274176	400.495	PNXZYGYBDICEKE-SFHVURJKSA-O	00000010100000110101000000000010000000000000000000000000	31-01-114529
O1[C@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1cc(OC)ccc1	PC-id_42274177	400.495	PNXZYGYBDICEKE-GOSISDBHSA-O	00000010100000110101000000000010000000000000000000000000	31-01-114530
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1cccnc1N1CCOCC1	GD-id_ZINC14484073	400.495	YILCYKNQNAHPDY-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-114531
O=C(c1cc2c(s1)CCCCCC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	PC-id_47026481,EMOLS-id_31399758,MCULE-2850545363,ZINC22_57993808	400.495	NYINKJNOXSFVPQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-114532
O=C(N1CCCN(c2c1ccs2)CCN1CCCC1)c1ccc(cc1)[N+](=O)[O-]	PC-id_139710004	400.495	JFDAWLXNSOORFG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-114533
O=C(N1CCN(CC1)C(=O)c1ccccc1O)Nc1nc2c(s1)CCCCC2	PC-id_112838304	400.495	SOBAGFHBLQFFRH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114534
O=C(N1CC[NH+](CC1)Cc1n2CCCCCc2nn1)c1c(OC)cc(OC)cc1	PC-id_40791057	400.495	RKHGJAZTTACEAY-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-114535
O=C(NCc1ccccc1)N1CCc2nc(C(=O)N3CCOCC3)sc2CC1	ZINC22_96147017,PC-id_97442541	400.495	PBVWQPGPQRLCFM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114536
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(=O)OC)C)C(C)C	PC-id_74803802	400.495	ADVQRWJGRWXKAZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-114537
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(OC)cc(OC)c1)C)C1CC1	PC-id_74800917	400.495	MZJSCXYEIBAYDG-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-114538
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(OC)cc1)C)C1CC1	PC-id_74777744	400.495	SXAGBUMOUWMSAB-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-114539
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1)C)C1CC1	PC-id_74800295	400.495	OWKJMXIRYIKKAV-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-114540
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(OC)c(OC)ccc1)C)C1CC1	PC-id_74802247	400.495	QMYCEPOHNVBLQV-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-114541
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(=O)OC)C)C(C)C	PC-id_42442209	400.495	ADVQRWJGRWXKAZ-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-114542
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(=O)OC)C)C(C)C	PC-id_42442213	400.495	ADVQRWJGRWXKAZ-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-114543
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)cc(OC)c1)C)C1CC1	PC-id_42405398	400.495	MZJSCXYEIBAYDG-CQSZACIVSA-O	00100000100000110101000000000010000000000000000000000000	31-01-114544
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)cc(OC)c1)C)C1CC1	PC-id_42405400	400.495	MZJSCXYEIBAYDG-AWEZNQCLSA-O	00100000100000110101000000000010000000000000000000000000	31-01-114545
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(OC)cc1)C)C1CC1	PC-id_42191535	400.495	SXAGBUMOUWMSAB-CQSZACIVSA-O	00100000100000110101000000000010000000000000000000000000	31-01-114546
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(OC)cc1)C)C1CC1	PC-id_42191537	400.495	SXAGBUMOUWMSAB-AWEZNQCLSA-O	00100000100000110101000000000010000000000000000000000000	31-01-114547
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1)C)C1CC1	PC-id_42372088	400.495	OWKJMXIRYIKKAV-CQSZACIVSA-O	00100000100000110101000000000010000000000000000000000000	31-01-114548
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1)C)C1CC1	PC-id_42372091	400.495	OWKJMXIRYIKKAV-AWEZNQCLSA-O	00100000100000110101000000000010000000000000000000000000	31-01-114549
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)c(OC)ccc1)C)C1CC1	PC-id_42425137	400.495	QMYCEPOHNVBLQV-CQSZACIVSA-O	00100000100000110101000000000010000000000000000000000000	31-01-114550
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)c(OC)ccc1)C)C1CC1	PC-id_42425139	400.495	QMYCEPOHNVBLQV-AWEZNQCLSA-O	00100000100000110101000000000010000000000000000000000000	31-01-114551
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(N2CCOCC2)nc1	PC-id_24607687	400.495	JCYDWTINGWMCSZ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-114552
s1c2CCCCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1ncccn1	PC-id_9402929	400.495	CUIHLXZCPUWFMV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-114553
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1n[nH]c(CCC)c1)C)C#N	PC-id_55531412	400.495	PZNYYDMHJYGSPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114554
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cn1nc(cc1C)C)C)C#N	PC-id_55449735	400.495	HCHQPLYVNDONEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114555
s1c2CCCCCCc2nc1NC(=O)c1cc(NC(=O)C)cc(NC(=O)C)c1	PC-id_60572213	400.495	UETBMJXFNNFKOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114556
s1c2CCCCCCc2nc1NC(=O)c1c(N2CCCC2)ccc([N+](=O)[O-])c1	PC-id_56571870	400.495	AXGRNXULJYLDMU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-114557
s1c2CCCCCCCCCCc2c(c1N=CC1C(=O)NC(=O)NC1=O)C#N	PC-id_24071168	400.495	OCBMQURAKROLJH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-114558
s1c(CN(C(=O)Cn2nc3n(CCCCC3)c2=O)Cc2occc2)ccc1C	PC-id_56128838	400.495	GAMOJWRUMLYILI-UHFFFAOYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-114559
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)c1ncccc1F	PC-id_109640399	400.496	BEIFQVFHPVNNDS-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-114560
CN=C(NC1CCN(C1)c1ncccc1F)NCCc1nnc2n1CCCCC2	PC-id_109640431	400.496	YDCKEYGQWADUOL-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-114561
c1(cn2c(CCN(CC2)C(=O)c2scnc2C)n1)C(=O)N1CCN2CCC1C2	EMOLS-id_331100444,MCULE-4125913804	400.498	PEYRXDDGUFQWHV-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-114562
Cc1ncsc1C(=O)N1CCc2nc(C(=O)N3CCN4CC[C@H]3C4)cn2CC1	ZINC22_1875243622	400.498	PEYRXDDGUFQWHV-AWEZNQCLSA-N	00000010100010000101000000000110000000000000000000000000	31-01-114563
Cc1sc2ncn(CC(=O)NCCc3nnc4n3CCCCC4)c(=O)c2c1C	MCULE-5995349022,PC-id_17544006,CoCoCo_4472983,ZINC22_12810666,EMOLS-id_16809793	400.498	HZKQOVVDWVATLG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114564
CC(C)c1ccc(cc1)S(=O)(=O)N1CCCn2nnc(Cn3cccn3)c2C1	EMOLS-id_44370646,PC-id_97519631,ZINC22_96259549	400.498	HUDOSCGFZYFKHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114565
CC(C)Oc1ccc2nnc(CCC(=O)Nc3nc4CCCCCc4s3)n2n1	EMOLS-id_323365338,MCULE-5692726058	400.498	LAXKRXZSZNTFOS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114566
CN(Cc1nnc2n1CCCCC2)C(=O)CCCc1nc(c2cccs2)no1	ZINC22_42955427,MCULE-2980996755,PC-id_47031457,EMOLS-id_31938724	400.498	JFRSXFPQVVYLPH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-114567
O=C(c1sc2c(c1C)c(=O)n(cn2)C)NCCCc1nnc2n1CCCCC2	PC-id_86884609	400.498	RVKFZHBCHIRPOY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114568
O=C(NCc1nnc2n1CCCCC2)NCc1cccc(c1)NC(=O)C[NH+](C)C	GD-id_ZINC43780203	400.498	LATNULJOKXWMED-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-114569
S1(=O)(=O)C[C@H](n2nc(c(c2C)/C=C(/c2n3CCCCCc3nn2)C#N)C)CC1	PC-id_9187277	400.498	OIMRILXUMLWLGU-AAGJOFLKSA-N	00000010100000000101100000000010000000000000000000000000	31-01-114570
S1(=O)(=O)C[C@@H](n2nc(c(c2C)/C=C(/c2n3CCCCCc3nn2)C#N)C)CC1	PC-id_9187281	400.498	OIMRILXUMLWLGU-KMPOOHAWSA-N	00000010100000000101100000000010000000000000000000000000	31-01-114571
S1(=O)(=O)CC(n2nc(c(c2C)C=C(c2n3CCCCCc3nn2)C#N)C)CC1	PC-id_84948398	400.498	OIMRILXUMLWLGU-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-114572
CCCCCOC(=O)c1c(OCC)c(c2-c1ccc(cc2C)C)C(=O)OCCC	PC-id_141346807	400.508	DEIWSFKPHQVRPX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114573
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)N1CCCCC1	EMOLS-id_2373411,MCULE-9631771597,PC-id_1367036,CoCoCo_700009,ZINC22_1212413	400.51	PEGALLNAVIPBIK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-114574
CC1=c2c(=CC=CCC1)n(cc2CC1CCCN1)S(=O)(=O)c1cccc(c1)F	PC-id_91614534	400.51	UIVCPZPKINVUJD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-114575
CC(c1cc(c2-c1cc(cc(c2)S(=O)(=O)O)S(=O)(=O)O)C(C)(C)C)(C)C	SCHEMBL7791010,PC-id_22003029	400.51	UUBHXQHMCPJDLL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114576
CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)c(F)c1	PC-id_16361970,CoCoCo_4256092,MCULE-6444184776,EMOLS-id_11808032,ZINC22_9469962	400.51	SMFCOHKOCFXRCQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114577
s1c2c(CCCCC2)cc1C(=O)N1CCCN(CC1)C(=O)c1c(F)cccc1	PC-id_78850106	400.51	OWJITJPHJNTGES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114578
s1c2c(CCCCC2)cc1C(=O)NC1CCN(CC1)C(=O)c1c(F)cccc1	PC-id_52225764	400.51	LKZWJCFFPMOKPH-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-114579
O=Cc1cc(C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)ccc1	PC-id_15468651	400.511	AYVASWLNYFDXIH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-114580
O=Cc1ccc(C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)cc1	PC-id_15468655	400.511	ZIOUAXKCKGGJGW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-114581
O=C(c1ccccc1)C1CCN(CC1)CCCn1cc(c2=CC=C=CC=c12)C(=O)C	PC-id_143502949	400.513	CVOWOWQZTRVVFN-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-114583
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_49698356	400.513	BDCLSZOXBMGIMM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114584
Cc1sc2c(c1)C(=O)N(CCS2)CCCCN1C(=O)c2c(C1=O)cccc2	SCHEMBL9043055,PC-id_19881131	400.514	VSEOAMWTOOLXNN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-114585
C[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(OCCN3CCOCC3)cc1)C2	PC-id_100040747,ZINC22_219422868	400.514	LHAQZFIPMPJJBR-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114586
C[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(OCCN3CCOCC3)cc1)C2	PC-id_100040748,ZINC22_219422940	400.514	LHAQZFIPMPJJBR-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114587
CC(O)c1cc2CN(Cc3ccc(OCCN4CCOCC4)cc3)CCCn2n1	EMOLS-id_50532083,MCULE-9458976045,PC-id_90649039	400.514	LHAQZFIPMPJJBR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114588
COc1c(cc(cc1)CN1CCCn2c(cc(n2)C(CO)O)C1)CN1CCCC1	MCULE-6785015733,PC-id_90653685,EMOLS-id_50549173	400.514	XGQKREBKOLWPGV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-114589
COc1ccc(CN2CCCn3nc([C@H](O)CO)cc3C2)cc1CN1CCCC1	ZINC22_221420190,PC-id_100067879	400.514	XGQKREBKOLWPGV-OAQYLSRUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-114590
COc1ccc(CN2CCCn3nc([C@@H](O)CO)cc3C2)cc1CN1CCCC1	ZINC22_221420241,PC-id_100067880	400.514	XGQKREBKOLWPGV-NRFANRHFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-114591
COCCCCn1cc(c2=CNC=CC=c12)CN(C(=O)[C@H]1CNCCO1)C1CC1	SCHEMBL18509025	400.514	BEUPEUXNDMZCLN-OAQYLSRUSA-N	00100000100010000111000000000010000000000000000000000000	31-01-114592
n1(cc(C(c2c3c(n(c2)C)cccc3)c2c3-c(cc2)ccccc3)c2c1cccc2)C	PC-id_86231941	400.514	UPYPYGIYAIUQLV-UHFFFAOYSA-N	00000010100000100110000001100010000000000000000000000000	31-01-114593
N#Cc1c(NC(=O)COC(=O)c2cc3c(s2)CCC3)sc2c1CCCCC2	MCULE-6485749581,ZINC22_3427676,EMOLS-id_3370134,CoCoCo_2840789,PC-id_2547105	400.514	AFSINBQZLDIOEZ-UHFFFAOYSA-N	00000010100000000100000010000010000000000000000000000000	31-01-114594
O(c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1OCCC)CCC	PC-id_60389523	400.514	DFDWQDATPLHCBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114595
O=c1n2CCCCCc2nn1CC(=O)NC(CCc1ccc(OC(C)C)cc1)C	PC-id_55890955	400.514	ASBSSXGZUVREGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114596
O=C(N1CCN(CC1)c1cccc[nH+]1)COC(=O)c1cc2c(s1)CCCCC2	GD-id_ZINC10633994,PC-id_41587110	400.514	QYKXESLRRVPVPK-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-114597
s1c2CCCc2c(c1NC(=O)COC(=O)c1sc2CCCCCc2c1)C#N	PC-id_7649874	400.514	OZNJSFWBILWOTN-UHFFFAOYSA-N	00000010100000000100000010000010000000000000000000000000	31-01-114598
s1c2CCCCCc2cc1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1	PC-id_56251187	400.514	BHYVPKNWKXCHRX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-114599
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(cc(SC#N)cc1)C	PC-id_7650007	400.514	XTZLXCDUAASQSG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114600
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(SCC#N)cccc1	PC-id_7352076	400.514	GWYLGWKSMJKPBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114601
s1c2c(CCCCC2)c(c1NC(=O)c1cc2scnc2cc1)C(=O)OCC	PC-id_4411591	400.514	LZCBUNNWBDWVOQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114602
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)/C=C/c1ccsc1)C)C#N	PC-id_8976126	400.514	ZYMCCQVDAAGLHD-GWJCSSMESA-N	00000000100100000100000000000010000000000000000000000000	31-01-114603
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)/C=C/c1ccsc1)C)C#N	PC-id_8976140	400.514	ZYMCCQVDAAGLHD-SBDDDAINSA-N	00000000100100000100000000000010000000000000000000000000	31-01-114604
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)/C=C/c1sccc1)C)C#N	PC-id_8957178	400.514	ZPILXQBIPITRFX-LXKVQUBZSA-N	00000000100100000100000000000010000000000000000000000000	31-01-114605
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)/C=C/c1sccc1)C)C#N	PC-id_8957179	400.514	ZPILXQBIPITRFX-WTNCMQEWSA-N	00000000100100000100000000000010000000000000000000000000	31-01-114606
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=Cc1ccsc1)C)C#N	PC-id_84888164	400.514	ZYMCCQVDAAGLHD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-114607
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1sc(cc1)C)C#N	PC-id_29512729	400.514	AGWGOCWKNKLZLK-MDZDMXLPSA-N	00000000100100000100000000000010000000000000000000000000	31-01-114608
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1sc(cc1)C)C#N	PC-id_74595896	400.514	AGWGOCWKNKLZLK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-114609
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=Cc1sccc1)C)C#N	PC-id_84883279	400.514	ZPILXQBIPITRFX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-114610
s1c2CCCCCc2c(c1NC(=O)COC(=O)CSc1ccccc1)C#N	PC-id_3671091	400.514	RQIIENHYMUJYPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114611
CC(=Cc1c(ccc(c1)N1CCN(CC1)C)C(=N)C)c1c2-c(ccccc2)[nH]c1=O	PC-id_91374065	400.516	IWBUOBWKZUDVLM-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-114612
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=N)N)C(=O)CCCC2	PC-id_142494138	400.516	AGZOVAPULWDRAM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114613
Cc1noc(CSc2ccccc2C(=O)Nc2nc3c(s2)CCCCC3)n1	MCULE-9099299030,EMOLS-id_24057756,ZINC22_32907950,CoCoCo_4666017,PC-id_40144546	400.518	GMLUZVRLWFBGAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114614
CCc1ccc(CN2CCc3nnc(CNC(=O)C4CCCN(C)C4)n3CC2)o1	MCULE-3250966765,EMOLS-id_20646581,PC-id_45227678	400.518	CEBDKNPZWRHIOV-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-114615
CCc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCCN(C)C4)n3CC2)o1	CoCoCo_1488635,CoCoCo_1488632,ZINC22_12217710,CoCoCo_1488633,CoCoCo_1488634	400.518	CEBDKNPZWRHIOV-INIZCTEOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-114616
CCc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCCN(C)C4)n3CC2)o1	CoCoCo_1488638,CoCoCo_1488637,CoCoCo_1488636,CoCoCo_1488639,ZINC22_12217709	400.518	CEBDKNPZWRHIOV-MRXNPFEDSA-N	00000000101010000101000000000010000000000000000000000000	31-01-114617
CCN(CC)CCNC(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	EMOLS-id_207877221,MCULE-7264693768	400.518	DUIMDKQLEWAPFF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114618
CCNC(=NCc1ccc(c(c1)OC)OC)NCCc1nnc2n1CCCCC2	PC-id_111202734	400.518	SDKYPYSJNQFQON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114619
CCNC(=NCc1ccc(cc1OC)OC)NCCc1nnc2n1CCCCC2	PC-id_111878325	400.518	ZXDJHDCXQWWDBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114620
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccc(cc1OC)OC)C	PC-id_111296811	400.518	CMXMQDSJDAEVAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114621
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccc(c(c1)OC)OC	PC-id_111214219	400.518	DTIOWUKJEKQJII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114622
CCNC(=NCc1nnc2n1CCCCC2)NCC(Oc1cccc(c1)OC)C	PC-id_111679874	400.518	LEWAZIDVBOSXII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114623
CCNC(=NCc1nnc2n1CCCCC2)NCC(Oc1ccccc1OC)C	PC-id_111683350	400.518	FNIGCCLYYGSXGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114624
CCNC(=NCCc1nnc2n1CCCCC2)NCCOc1ccc(cc1)OC	PC-id_111410381	400.518	MLZZSVDSJVPLJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114625
CCNC(=NCCCc1nnc2n1CCCCC2)Nc1ccc(c(c1)OC)OC	PC-id_109572219	400.518	SOVFCCOQQQTHAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114626
CCOc1ccc(cc1NC(=NCCCc1nnc2n1CCCCC2)N)OCC	PC-id_111093781	400.518	ANARCQOBKXKETJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114627
CCOc1cc(ccc1OC)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109578171	400.518	MLGAOHWBSPLSJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114628
CCOc1ccc(cc1OC)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109581149	400.518	JYGVGHITYUXWRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114629
CN=C(NCc1ccc(c(c1)OC)OC)NCCCc1nnc2n1CCCCC2	PC-id_111202916	400.518	JVKPBFJXENYXBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114630
CN=C(N(CCc1ccc(c(c1)OC)OC)C)NCc1nnc2n1CCCCC2	PC-id_111241387	400.518	WISUZNXCGMPBQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114631
CN=C(NCCc1nnc2n1CCCCC2)NCCc1ccc(c(c1)OC)OC	PC-id_111213279	400.518	QCQFFYJDICWMDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114632
CN=C(NCC(Oc1ccccc1OC)C)NCCc1nnc2n1CCCCC2	PC-id_111682396	400.518	UBTCHEUDBCIZIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114633
COc1cccc(c1)OC(CNC(=NC)NCCc1nnc2n1CCCCC2)C	PC-id_111679126	400.518	RRURFWBTCJMUOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114634
COc1ccc(c(c1)OC)CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111878773	400.518	MXMCUASIRJZQMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114635
COCCCOc1cccc(c1)NC(=NCc1nnc2n1CCCCC2)NCC	PC-id_109460182	400.518	SGJWQNYDYYOYBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114636
COCCOc1cc(C)ccc1CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_109623948	400.518	NBRPXNBVCFVPGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114637
COCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1cccc(n1)C)CC(C)C	CoCoCo_1145266,CoCoCo_1145267	400.518	UCDXKWKUWOUENV-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114638
COCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1cccc(n1)C)CC(C)C	CoCoCo_1145269,CoCoCo_1145268	400.518	UCDXKWKUWOUENV-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114639
o1c([C@H](N2CCCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52270211	400.518	DZBSSMMRACUJCM-QGZVFWFLSA-N	00000000101010000101000000000010000000000000000000000000	31-01-114640
o1c([C@@H](N2CCCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52270213	400.518	DZBSSMMRACUJCM-KRWDZBQOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-114641
o1c(C(N2CCCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_75817595	400.518	DZBSSMMRACUJCM-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-114642
O(c1c(C(N(C)C)CNC(=O)NCCc2n3CCCCCc3nn2)cccc1)C	PC-id_55738484	400.518	UHRKGVGLLRQTLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114643
O=C(NC(c1n2CCN(CCc2nn1)Cc1nc(ccc1)C)CC(C)C)COC	PC-id_45172781	400.518	UCDXKWKUWOUENV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114644
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(ccc2c1N)C)C(=O)N	PC-id_23832710	400.518	NFOFFLNWRMGQIZ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-114645
s1c2CCCCCc2nc1NC(=O)c1c(nc(nc1SC)c1occc1)C	PC-id_55550499	400.518	AVZZSDJBUDRRFM-UHFFFAOYSA-N	00000000101000100101100000000010000000000000000000000000	31-01-114646
s1c2CCCCCc2nc1NC(=O)c1c(SCc2nc(on2)C)cccc1	PC-id_55548007	400.518	IUGQFVWGHQANRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114647
CCNC(=NCCc1nnc2n1CCCCC2)N1CCOC(C1)c1cnn(c1)C	PC-id_109533994	400.521	PEYWXXRDUGPPQM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-114648
CN=C(N1CCN(CC1)Cc1ccon1)NCCCc1nnc2n1CCCCC2	PC-id_109504655	400.521	QRVMKZUXOCTEMI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-114649
CN=C(N1CCOC(C1)c1cnn(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_109534980	400.521	FZZMHBXSJPFUJY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-114650
c1(c2CCCCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccc(cc1)OC	MCULE-7793405108,ChEMBL-DNDi_CHEMBL3261-0812,SPECS-id_AG-667/37281043,EMOLS-id_2385096,TIMTEC36421,GD-id_ZINC00722388,PC-id_1047343,ZINC22_722388,MS2_ST015961,CoCoCo_731680	400.534	SUPNRFZTNUEGKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114651
c1(c2CCCCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccccc1OC	SPECS-id_AG-667/37281045,EMOLS-id_2384588,CoCoCo_730445,ZINC22_722389,MCULE-6612636518,TIMTEC36423,TIMTEC415613,PC-id_1047344	400.534	QXGHXNGBZXXFGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114652
c1(NC(=O)c2ccc(cc2)OCCCC)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_4079253,CoCoCo_5823055,TIMTEC335446,PC-id_4423188,MCULE-5663605561,ZINC22_2750553,SPECS-id_AK-968/13779271	400.534	NLVLWHAOTJTPLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114653
c1(NC(=O)c2ccc(cc2)OCC(C)C)sc2c(CCCCCC2)c1C(=O)N	PC-id_2166157,CoCoCo_743716,ZINC22_2751490,ChEMBL-DNDi_CHEMBL6131657,EMOLS-id_2389747,MCULE-3820344362,GD-id_ZINC02751490,SPECS-id_AK-968/13779225,TIMTEC501333	400.534	VIWVXULBKGDSBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114654
c1(NC(=O)CNC(C)c2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_2860344,MCULE-4907218425,EMOLS-id_2092293,TIMTEC21411	400.534	DPILAFSUGRBIOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114655
c1(NC(=O)COc2ccc(cc2)CCC)sc2c(CCCCCC2)c1C(=O)N	ZINC22_4724819,MCULE-5218886778,PC-id_2901612,EMOLS-id_2399155,CoCoCo_791585	400.534	UFORQCNEFIECDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114656
Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1	PC-id_20166086,ZINC22_32125347	400.534	YXVGPRHNNPRBDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114657
CC(C)(C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	ZINC22_6825719,PC-id_20166085	400.534	OFUBHMSZPYVDRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114658
CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	ZINC22_6953175,PC-id_40655388	400.534	IDFZRXUJLLXLBD-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114659
CC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	ZINC22_6954500,PC-id_40655506	400.534	IDFZRXUJLLXLBD-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114660
CCOC(=O)c1c(NC(=O)CN[C@@H](C)c2ccccc2)sc2c1CCCCC2	CoCoCo_678449,ZINC22_55439966,PC-id_1210337	400.534	DPILAFSUGRBIOW-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114661
CCOC(=O)c1c(NC(=O)CN[C@H](C)c2ccccc2)sc2c1CCCCC2	PC-id_1210338,CoCoCo_678448,ZINC22_55439967	400.534	DPILAFSUGRBIOW-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114662
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCOCCc1ccccc1	PC-id_52670565	400.534	QVPRHYCRMMGLMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114663
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(N(CC)CC)cc1	PC-id_16509458	400.534	VANUQMPXCNHRRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114664
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OCCCC)cc1)C(=O)NC	PC-id_7475067	400.534	SFPOPNBZRNNLHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114665
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OCCCCC)cc1)C(=O)N	PC-id_4347281	400.534	UJQIRSQOKKPSJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114666
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OCCCC)ccc1)C(=O)NC	PC-id_7475086	400.534	OLOADEMXNPLLEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114667
s1c2c(CCCCC2)c(c1NC(=O)COc1ccc(C(CC)C)cc1)C(=O)N	PC-id_20166091	400.534	IDFZRXUJLLXLBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114668
s1c2CCCCCCc2cc1C(=O)N(CC)CC(=O)Nc1c(OC)cccc1	PC-id_27833152	400.534	QFMZMQIUAMDWIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114669
s1c2c(CCCCCC2)c(c1NC(=O)Nc1ccccc1)C(=O)OC(C)(C)C	PC-id_73356635	400.534	MFNSCGHTVORIRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114670
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(cccc1)C=O	PC-id_30377196	400.534	ZTUZMTUDPQIJIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114671
CCNC(=NCC(c1cccc(c1)F)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111625008	400.536	RACAXUWLOHTHMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114672
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1ccc(c(c1)F)C)C	PC-id_109657763	400.536	HDHAAZIONVLUFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114673
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccc(cc1C)F	PC-id_109584627	400.536	LFGNUBMDCCZXMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114674
CN=C(NCC(c1cccc(c1)F)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111625512	400.536	IBCYFUVJCFYAMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114675
N#Cc1c(NC(=O)CC(c2ccccc2)c2ccccc2)sc2c1CCCCC2	MCULE-9007403815,PC-id_2361714,EMOLS-id_43827660,CoCoCo_3268402,ZINC22_3244345	400.536	WWIRLRWYLRYTAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114676
s1c2CCCCCCc2c(c1NC(=O)C(c1ccccc1)c1ccccc1)C#N	PC-id_5123856	400.536	FLNSZNVOEIRWRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114677
c12C(=O)N(CCCn1nc(C(=O)NCCCSCCC)c2)Cc1ccccc1	PC-id_50798053,MCULE-9257912821,EMOLS-id_32846066	400.538	WOCJWNTXORRIGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114678
CCCCCC(=O)Nc1ccc(cc1)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3081776,CoCoCo_3081774,CoCoCo_3081777,CoCoCo_3081775	400.538	UALBFWCPFNYFBQ-SDXDJHTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114679
CCCCCC(=O)Nc1ccc(C(=O)CSc2nnc3n2CCCCC3)cc1	EMOLS-id_11672671,CoCoCo_3081773,PC-id_7877008,MCULE-9274082811,ZINC22_6097615	400.538	AAPBXIIEVFIORA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114680
CC(=C)[C@H]1CCC(=CC1)C[N@@H+]1CCc2n(CC1)c(nn2)CNC(=O)[C@@H]1COCC1	GD-id_ZINC11881678	400.538	VIDPYZJWXTZZGJ-MOPGFXCFSA-O	00000010100011000101000000000010000000000000000000000000	31-01-114681
O=C([C@H](Sc1nnc2n1CCCCC2)C)c1ccc(cc1)NC(=O)C(C)(C)C	CoCoCo_3654391,PC-id_8320271	400.538	GHRNGLVIOITYFM-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114682
O=C([C@@H](Sc1nnc2n1CCCCC2)C)c1ccc(cc1)NC(=O)C(C)(C)C	CoCoCo_3654392,PC-id_8320267	400.538	GHRNGLVIOITYFM-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114683
O/C(=C(/Sc1nnc2n1CCCCC2)C)/c1ccc(cc1)NC(=O)C(C)(C)C	CoCoCo_3654395,CoCoCo_3654394	400.538	NXCQDANORKNAEL-NBVRZTHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114684
O/C(=C(Sc1nnc2n1CCCCC2)/C)/c1ccc(cc1)NC(=O)C(C)(C)C	CoCoCo_3654396,CoCoCo_3654393	400.538	NXCQDANORKNAEL-JXAWBTAJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114685
O=C(C(Sc1nnc2n1CCCCC2)C)c1ccc(cc1)NC(=O)C(C)(C)C	MCULE-5061984775,PC-id_16342586,EMOLS-id_317339439	400.538	GHRNGLVIOITYFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114686
O=C(N1CCN(CC1)CCOc1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_112825157	400.538	VXOGZAUUVHHCHD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114687
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)C)CC(C)C)COC	PC-id_74804377	400.538	UOEMGMILBUSSKA-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-114688
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)C)CCOC	PC-id_75685539	400.538	AQYNBCMJRNQFBP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-114689
O=C(NCc1n[nH]c2c1CCCCC2)c1cc2c(s1)C1(CCNCC1)OCC2	EMOLS-id_323985503,PC-id_145938456,ZINC22_1857691215,MCULE-8610604409	400.538	AFDIITCUGBUAMW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-114690
O=C(NCCc1n2CC[NH+](CC(CC)CC)CCc2nn1)c1ccc(OC)cc1	PC-id_42325463	400.538	FKIRBTCWUJUTLO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-114691
O=C(NCCc1n2CC[NH+](CC(CC)CC)CCc2nn1)COc1ccccc1	PC-id_42237203	400.538	STPRACOHMCBWDV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-114692
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)C)CC(C)C)COC	PC-id_42452481	400.538	UOEMGMILBUSSKA-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-114693
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)C)CC(C)C)COC	PC-id_42452482	400.538	UOEMGMILBUSSKA-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-114694
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)C)CCOC	PC-id_51610182	400.538	AQYNBCMJRNQFBP-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-114695
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)C)CCOC	PC-id_51610183	400.538	AQYNBCMJRNQFBP-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-114696
s1c2CCCCCc2cc1C(=O)NNC(=O)c1n(nc(C2CC2)c1)C(C)(C)C	PC-id_52624489	400.538	NNGMQGKBOINEOX-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-114697
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(C(=O)C2CC2)CC1)C#N	PC-id_55355612	400.538	XAMBCLLENGNXCY-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-114698
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(C(=O)C2CC2)CC1)C)C#N	PC-id_55432520	400.538	ARWZIFLTGMTIMC-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-114699
s1c2CCCCCCc2cc1C(=O)Nc1cn(nc1)CC(=O)NC1CCCC1	PC-id_49055227	400.538	JITRHEABAKEXGZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-114700
s1c2CCCCCCc2nc1NC(=O)CCNC(=O)N(Cc1ccccc1)C	PC-id_56506119	400.538	CFJYPXADQWBBOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114701
C[C@H]([N@@H+]1CCn2c(CC1)nnc2Cc1ccccc1)CCc1c[nH]c2c1cccc2	GD-id_ZINC12130991	400.539	BRJXCAPUPZTBAD-IBGZPJMESA-O	00000000100000110101000001100010000000000000000000000000	31-01-114702
CN1CCN(CC1)c1ccc(cn1)CNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825123	400.541	ONKSUIGCHGXHBE-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-114703
O=C(CSCc1ccncc1)N1CCN(Cc2nnc3n2CCCCC3)CC1	MCULE-4791034617,PC-id_45913657,ZINC22_40153057,EMOLS-id_29692147,CoCoCo_4947243	400.541	WJYXMAVCXVLFAQ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-114704
s1c2CCCCCc2c(c1NC(=O)CSc1ncnc2c1scc2)C#N	PC-id_46666704	400.541	KHYPWIQGRBRJHR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114705
CC1OC(C)CN(C1)S(=O)(=O)CCNC(=O)c1cc2c(s1)CCCCC2	PC-id_45884689,MCULE-5985231394,EMOLS-id_30250758	400.556	HTTFUENGDVOWPX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-114706
C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cc3c(s2)CCCCC3)C[C@@H](C)O1	PC-id_51941806,ZINC22_40089337	400.556	HTTFUENGDVOWPX-OKILXGFUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-114707
C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cc3c(s2)CCCCC3)C[C@H](C)O1	PC-id_51941807,ZINC22_40089338	400.556	HTTFUENGDVOWPX-KBPBESRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-114708
C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2cc3c(s2)CCCCC3)C[C@@H](C)O1	ZINC22_40089339,PC-id_51941808	400.556	HTTFUENGDVOWPX-ZIAGYGMSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-114709
s1c2CCCCCCc2cc1C(=O)NNC(=O)CS(=O)(=O)CCCCC	PC-id_56489676	400.556	KAOITHPGDQPJKE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-114710
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CCc2ccccc12	ZINC22_5948018,PC-id_3266591,EMOLS-id_4079285,CoCoCo_6799891,TIMTEC270693,MCULE-5962194865	400.557	KRMJWVIELBYNAZ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-114711
s1c2CCCCCc2c(c1NC(=O)CCCSc1ccc(OC)cc1)C#N	PC-id_41086436	400.557	NNUNNNRKSQUGAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114712
s1c2c(CCCCC2)c(c1NC(=S)N1C(Cc2c1cccc2)C)C(=O)OC	PC-id_19686728	400.557	SXWRJLZUIFCXGV-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-114713
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc2CCCc2cc1)C(=O)OC	PC-id_17301041	400.557	JJHOEACWYGAUMT-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-114714
s1c2CCCCCCc2cc1C(=O)NCc1c[nH+]c(N2C[C@H](OCC2)C)cc1	PC-id_52608265	400.557	PRBCEBHRNPTORG-MRXNPFEDSA-O	00000000100010101101100000000010000000000000000000000000	31-01-114715
s1c2CCCCCCc2cc1C(=O)NCc1c[nH+]c(N2C[C@@H](OCC2)C)cc1	PC-id_52608267	400.557	PRBCEBHRNPTORG-INIZCTEOSA-O	00000000100010101101100000000010000000000000000000000000	31-01-114716
s1c2CCCCCCc2cc1C(=O)NCc1c[nH+]c(N2CC(OCC2)C)cc1	PC-id_75881145	400.557	PRBCEBHRNPTORG-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-114717
s1c2c(CCCCCC2)c(c1NC(=S)N1CCc2c1cccc2)C(=O)OC	PC-id_17301042	400.557	RUWOIVKADVONLG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-114718
S1(=O)(=O)C[C@H](N(CC(C)C)C(=O)CSc2n3CCCCCc3nn2)CC1	PC-id_7877248	400.559	XNQHYSQYQBQGGB-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-114719
S1(=O)(=O)C[C@@H](N(CC(C)C)C(=O)CSc2n3CCCCCc3nn2)CC1	PC-id_7877250	400.559	XNQHYSQYQBQGGB-AWEZNQCLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-114720
S1(=O)(=O)C[C@H](N([C@@H](CC)C)C(=O)CSc2n3CCCCCc3nn2)CC1	PC-id_7877258	400.559	UTROOCPPXIYSTE-ZIAGYGMSSA-N	00000010100000000101000000000010000000000000000000000000	31-01-114721
S1(=O)(=O)C[C@H](N([C@H](CC)C)C(=O)CSc2n3CCCCCc3nn2)CC1	PC-id_7877259	400.559	UTROOCPPXIYSTE-UONOGXRCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-114722
S1(=O)(=O)C[C@@H](N([C@@H](CC)C)C(=O)CSc2n3CCCCCc3nn2)CC1	PC-id_7877261	400.559	UTROOCPPXIYSTE-KGLIPLIRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-114723
S1(=O)(=O)C[C@@H](N([C@H](CC)C)C(=O)CSc2n3CCCCCc3nn2)CC1	PC-id_7877262	400.559	UTROOCPPXIYSTE-KBPBESRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-114724
S1(=O)(=O)CC(N(CC(C)C)C(=O)CSc2n3CCCCCc3nn2)CC1	PC-id_78559276	400.559	XNQHYSQYQBQGGB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-114725
S1(=O)(=O)CC(N(C(CC)C)C(=O)CSc2n3CCCCCc3nn2)CC1	PC-id_78559278	400.559	UTROOCPPXIYSTE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-114726
c1(C(=O)Nc2sc3c(CCCCC3)n2)c(CC(C)C)sc(n2cccc2)n1	EMOLS-id_323454869,MCULE-2012381240	400.561	BXSARVXXHYDCLN-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-114727
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1Cc1cccs1	MCULE-8818935735,ZINC22_6097474,CoCoCo_3081680,PC-id_7876914,EMOLS-id_3518836	400.561	DFBLOOOOEDXOBS-UHFFFAOYSA-N	00000000110100000101000000000010000000000000000000000000	31-01-114728
Cc1sc2c(c1)C(=O)N(CCC2)CCCC[NH+]1CCN(CC1)c1ncccn1	GLL_PC-id_19881069	400.561	ATOQVXMGKQISFS-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-114729
CCC1C=Nc2c(C(=C1)NC(=O)C(C)(C)C)cnn2CCCN1CCN(CC1)C	PC-id_144511496	400.561	FBQNBQWWQORUJB-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-114730
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)Cc1cccs1)C	CoCoCo_3081681,CoCoCo_3081684	400.561	GKZNHPJMEQSMOB-AQTBWJFISA-N	00000000110100000101000000000010000000000000000000000000	31-01-114731
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)Cc1cccs1)C	CoCoCo_3081682,CoCoCo_3081683	400.561	GKZNHPJMEQSMOB-QGOAFFKASA-N	00000000110100000101000000000010000000000000000000000000	31-01-114732
s1c2CCCCCc2cc1C(=O)NC(CCSC)c1n2c(nn1)cccc2	PC-id_55452190	400.561	MRIXYSXDIZECNY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-114733
S(C(C(=O)N1CC[NH+](CC1)Cc1ccccc1)C)c1n2CCCCCc2nn1	PC-id_78559249	400.561	RQZJUMZTLCOXGT-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-114734
S([C@H](C(=O)N1CC[NH+](CC1)Cc1ccccc1)C)c1n2CCCCCc2nn1	PC-id_7877091	400.561	RQZJUMZTLCOXGT-KRWDZBQOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-114735
S([C@@H](C(=O)N1CC[NH+](CC1)Cc1ccccc1)C)c1n2CCCCCc2nn1	PC-id_7877094	400.561	RQZJUMZTLCOXGT-QGZVFWFLSA-O	00000000100010110101000000000010000000000000000000000000	31-01-114736
CCNC(=NCCc1nnc2n1CCCCC2)NC(Cc1c(C)nn(c1C)C)C	PC-id_109539168	400.564	DUFHZIOYGFVSPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114737
CCNC(=NCCCn1nc(cc1C)C)NCCCc1nnc2n1CCCCC2	PC-id_111279005	400.564	FZVORATWRFFZSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114738
CN=C(N(Cc1cn(nc1C(C)C)C)C)NCCCc1nnc2n1CCCCC2	PC-id_109838974	400.564	IEHMDCDJQFXTMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114739
CN=C(NC(Cc1c(C)nn(c1C)C)C)NCCCc1nnc2n1CCCCC2	PC-id_109540132	400.564	WTIQFSXJUUFPOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114740
s1c2CCCCCCCCCCc2nc1NC(=O)COc1cc(cc(c1)C)C	PC-id_30377235	400.577	HJAVRNUYEHKXAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114741
s1c2CCCCCCCCCCc2nc1NC(=O)COc1cc(c(cc1)C)C	PC-id_30377239	400.577	ZWXXWDFGYGWEML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114742
COc1ccccc1N1CCN(CCCCN2CCc3ncsc3CC2)CC1	CHEMBL4582714	400.581	ALPOWWDAVMFBEC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114743
s1c2c(CCCCC2)c(c1NC(=O)CCN1C(CCC1)CN1CCCC1)C#N	PC-id_56541989	400.581	ZWZIIRARWPZAGI-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-114744
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(N2CCCC2)CC1)C#N	PC-id_78899445	400.581	OGFOHSRLYVFMBZ-UHFFFAOYSA-N	00000010100010000100100000000010000000000000000000000000	31-01-114745
s1c2CCC(C(C)(C)C)Cc2cc1C(=O)NCCc1n2CCCCCc2nn1	PC-id_75869325	400.581	FXSMJYBVGGLNHZ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-114746
s1c2CC[C@@H](C(C)(C)C)Cc2cc1C(=O)NCCc1n2CCCCCc2nn1	PC-id_52560175	400.581	FXSMJYBVGGLNHZ-MRXNPFEDSA-N	00000000100010000101000000010010000000000000000000000000	31-01-114747
s1c2CC[C@H](C(C)(C)C)Cc2cc1C(=O)NCCc1n2CCCCCc2nn1	PC-id_52560176	400.581	FXSMJYBVGGLNHZ-INIZCTEOSA-N	00000000100010000101000000010010000000000000000000000000	31-01-114748
s1c(C2[NH+](CCC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1	PC-id_74596034	400.581	YPKWZGGBXCEUOC-UHFFFAOYSA-O	00000010100100000100100000000010000000000000000000000000	31-01-114749
s1c(C2[NH+](CCC2)C(C)C(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1	PC-id_74748437	400.581	BZHDWIGTAULBAA-UHFFFAOYSA-O	00000010100100000100100000000010000000000000000000000000	31-01-114750
s1c([C@@H]2[NH+](CCC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1	PC-id_29519868	400.581	YPKWZGGBXCEUOC-QGZVFWFLSA-O	00000010100100000100100000000010000000000000000000000000	31-01-114751
s1c([C@H]2[NH+](CCC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1	PC-id_29519872	400.581	YPKWZGGBXCEUOC-KRWDZBQOSA-O	00000010100100000100100000000010000000000000000000000000	31-01-114752
s1c([C@@H]2[NH+](CCC2)[C@@H](C)C(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1	PC-id_41131561	400.581	BZHDWIGTAULBAA-WMLDXEAASA-O	00000010100100000100100000000010000000000000000000000000	31-01-114753
s1c([C@@H]2[NH+](CCC2)[C@H](C)C(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1	PC-id_41131563	400.581	BZHDWIGTAULBAA-RHSMWYFYSA-O	00000010100100000100100000000010000000000000000000000000	31-01-114754
S(c1n2CCCCCc2nn1)CC(=O)NC(C(C)C)c1ccc(C(C)C)cc1	PC-id_78679814	400.581	UMDCWUBVMSGLEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114755
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](C(C)C)c1ccc(C(C)C)cc1	PC-id_8379633	400.581	UMDCWUBVMSGLEI-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114756
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](C(C)C)c1ccc(C(C)C)cc1	PC-id_8379638	400.581	UMDCWUBVMSGLEI-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114757
S=c1n(nc2n1CCCCC2)CN1CCC(CC1)CCc1ccc(OC)cc1	PC-id_46681437	400.581	ATZUSFRVLDYDKD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114758
CCNC(=NCc1ccc(cc1SC)C)NCCc1nnc2n1CCCCC2	PC-id_109682341	400.584	TXANFEPQNWJVHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114759
CCNC(=NCCCc1nnc2n1CCCCC2)NCCSc1ccccc1	PC-id_111372959	400.584	PCOLMZVFBCNHSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114760
CCNC(=NCC(Sc1ccccc1)C)NCCc1nnc2n1CCCCC2	PC-id_111676710	400.584	PQCHNNABCCIORI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114761
CN=C(NCC1(CCCCC1)c1cccs1)NCc1nnc2n1CCCCC2	PC-id_111637140	400.584	UITGXDKIJJNCAJ-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-114762
CN=C(NCc1ccc(cc1SC)C)NCCCc1nnc2n1CCCCC2	PC-id_109681557	400.584	YMVFYKIXLQHJLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114763
CN=C(NCC(Sc1ccccc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111677250	400.584	XIDGWPQAOSUAOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114764
CSc1ccc(cc1)CN(C(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111299493	400.584	ZEANPZXWILPCSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114765
CCc1cc2-c(c1[Si](c1c(CC)cc3-c1ccccc3)(OC)OC)ccccc2	PC-id_139893932	400.585	JSLPJHGIGWMMHW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114766
CCO[Si](c1c(C)cc2-c1ccccc2)(c1c(C)cc2-c1ccccc2)OCC	PC-id_139893950	400.585	KYDGWNYKYUUKNH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114767
S(c1c2-c(ccc(C(C)(C)C)cc2)c(Sc2ccccc2)c1)c1ccccc1	PC-id_24822572	400.599	FHIRCUZEDXLNKS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-114768
CCCCCCC1(COc2c(sc(c2OC1)C#CC)C#CC)CCCCCC	PC-id_90776135	400.617	HNVBZPSESGAFDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114769
S1CCOCCOCCOCCOCCSc2sc(=S)sc12	PC-id_15044106	400.62	HAZMPMFFUAXFOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114770
CC1(C)Cc2occc2CN(C(=O)c2cc(Cl)cc(Br)c2F)C1	ZINC22_1875346501	400.67	FXZSISHHGIIYEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114771
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1c(ccc(c1)Br)Cl	PC-id_90625354	400.678	JDUUDQRVKNFXDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114772
COCCN1CCC(c2c(C1)occ2)Oc1cccc(c1Cl)Br	PC-id_140164963	400.695	KQDAPWANOAOOPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114773
Brc1cc(C(=O)Nc2sc3CCCCCCc3n2)c(Cl)nc1	PC-id_56369000	400.721	MQKRVHYVINRKJE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114774
c12C(=O)NCC(O)Cn1nc(C(=O)NCc1ccc(c3cccc(Cl)c3)o1)c2	MCULE-5768629310,EMOLS-id_55614601,PC-id_91830180	400.816	SVOWLGWSAKJRKP-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-114775
O=C1CCC(=O)Oc2c(O1)c(Cn1ncc(c1)c1ccc(c(c1)C)Cl)nn2C	PC-id_140810678	400.816	FEAMINOXMGEEQB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114776
O=C(NCc1ccc(c2cccc(Cl)c2)o1)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_244817179	400.816	SVOWLGWSAKJRKP-CYBMUJFWSA-N	00000000101000110101100000000010000000000000000000000000	31-01-114777
O=C(NCc1ccc(c2cccc(Cl)c2)o1)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_244817180	400.816	SVOWLGWSAKJRKP-ZDUSSCGKSA-N	00000000101000110101100000000010000000000000000000000000	31-01-114778
O=C(c1ncn(n1)Cc1ncccc1Cl)NC1CCn2c(N(C1=O)C)ccn2	PC-id_140764786	400.822	SSHSWZUSRFOISX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114779
O=C(c1ncn(n1)Cc1ncccc1Cl)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18367254	400.822	SSHSWZUSRFOISX-LBPRGKRZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114780
OCC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Cl)C	SCHEMBL18352959	400.837	ASHTYJKGHPWXGZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114781
Clc1ccc(n2nc(cc2NC(=O)Cn2nc3n(CCCCC3)c2=O)C)cc1	PC-id_78851992	400.862	NICCESBLKWTBRL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114782
Clc1cc(n2nc(cc2NC(=O)Cn2nc3n(CCCCC3)c2=O)C)ccc1	PC-id_55580322	400.862	WUTKYGSEODGENB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114783
Clc1ccc(cc1)c1nnn(n1)CC(=O)NCCc1nnc2n1CCCCC2	PC-id_112812249	400.865	ZRKXQMBCQPIOCX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114784
OCC1CC(O)CC(O1)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)F)Cl	PC-id_144227060	400.87	RIZRLBZQFGPFLC-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-114785
c1(C#N)c2CCCCCc2sc1NC(=O)c1ccc(Cn2cc(cn2)Cl)o1	PC-id_29096520,TIMTEC552859,EMOLS-id_17072839,MCULE-4209517795,ZINC22_20615784	400.882	XOMOFTOLHNFASJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-114786
Clc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)cc1	PC-id_42375850	400.882	WAFSAQDFDMVOMU-CQSZACIVSA-O	00000000101000110101000000000010000000000000000000000000	31-01-114787
Clc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)cc1	PC-id_42375852	400.882	WAFSAQDFDMVOMU-AWEZNQCLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-114788
Clc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cc1	PC-id_74793046	400.882	WAFSAQDFDMVOMU-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-114789
Clc1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)ccc1	PC-id_42375784	400.882	HMLOLPQOTXFUNG-CQSZACIVSA-O	00000000101000110101000000000010000000000000000000000000	31-01-114790
Clc1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)ccc1	PC-id_42375786	400.882	HMLOLPQOTXFUNG-AWEZNQCLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-114791
Clc1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)ccc1	PC-id_74793038	400.882	HMLOLPQOTXFUNG-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-114792
Clc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)cccc1	PC-id_42362144	400.882	CGOYKGBIQYPGOG-CQSZACIVSA-O	00000000101000110101000000000010000000000000000000000000	31-01-114793
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)cccc1	PC-id_42362147	400.882	CGOYKGBIQYPGOG-AWEZNQCLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-114794
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cccc1	PC-id_74799259	400.882	CGOYKGBIQYPGOG-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-114795
Clc1c2-c(c(C=C(c3ccc(OC)cc3)c3ccc(OC)cc3)c1)ccccc2	PC-id_85988139	400.897	DDIKNQZJXGMSQJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-114796
CC1(C)CNC(=O)c2c(C(=O)NC3(c4cccc(Cl)c4)CCCC3)coc2C1	ZINC22_1435469443	400.898	DDGVKJVPDIRYIS-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-114797
CCOC(=O)c1nc2c(s1)N(S(=O)(=O)c1cccc(Cl)c1)CCCC2	MCULE-9445420647,PC-id_121568049,ZINC22_328594049,EMOLS-id_76028074	400.9	LMUAWGVSTSBALJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114798
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCC1)c2)Cc1ccc(cc1)Cl	EMOLS-id_16324812,MCULE-3315043109,PC-id_20964800,CoCoCo_2544636	400.902	ZRSMJLLQSRPWLJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114799
Brc1c(OC2CCN(Cc3occc23)C)cccc1Br	PC-id_68413274	401.093	FQJJJQVWKDTFJD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114820
c1(CN(C)C(=O)C2CC(=NO2)Cc2ccccc2Cl)c2CCCCCc2[nH]n1	EMOLS-id_68876258,MCULE-3847993407,PC-id_118754936	400.902	QDZNABAZKAPUQE-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-114800
Clc1ccc(/C=C/2CCCCc3c2[nH]nc3OC(=O)NN2CCCCC2)cc1	SCHEMBL300698,PC-id_66647654	400.902	PMLAPCRQIIIOOA-JQIJEIRASA-N	00000000100010110101000000000010000000000000000000000000	31-01-114801
Clc1cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc(OCC)c1OCCC	PC-id_52184734	400.902	DGMMUOOXLYSLGD-WJDWOHSUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114802
Clc1cc(C=C(c2n3CCCCCc3nn2)C#N)cc(OCC)c1OCCC	PC-id_75690532	400.902	DGMMUOOXLYSLGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114803
Clc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc(OCC)c1OCCC	PC-id_8275464	400.902	DGMMUOOXLYSLGD-LFIBNONCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114804
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CC(=NO1)Cc1ccccc1Cl	ZINC22_299769541	400.902	QDZNABAZKAPUQE-FQEVSTJZSA-N	00000011100000110101000000000010000000000000000000000000	31-01-114805
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CC(=NO1)Cc1ccccc1Cl	ZINC22_299769546	400.902	QDZNABAZKAPUQE-HXUWFJFHSA-N	00000011100000110101000000000010000000000000000000000000	31-01-114806
c1(NC(=O)Cc2c(C)[nH]nc2c2ccc(cc2)Cl)sc2c(CCCCC2)n1	MCULE-6931513789,EMOLS-id_323266030	400.925	KFAGSJWQIIIZBT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114807
Clc1n(nc(c1C(=O)Nc1sc2CCCCCCc2n1)C)c1ccccc1	PC-id_56021849	400.925	WSHZNFCIPXEEPP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-114808
c1(C(=O)Nc2sc3c(CCCCC3)c2C#N)c(Cl)c2c(cc(cc2)C)s1	SPECS-id_AK-968/12571255,TIMTEC477841,CoCoCo_5819947,MCULE-7707849308,ZINC22_2746135,PC-id_4136902,EMOLS-id_4079610	400.945	UIQZXPXSBXZFOA-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-114809
c1(C(=O)Nc2sc3c(CCCCCC3)c2C#N)c(Cl)c2c(cccc2)s1	PC-id_1742621,EMOLS-id_1094774,CoCoCo_5817963,MCULE-3555300712,ZINC22_2083739,SPECS-id_AK-968/12162130,TIMTEC175509	400.945	GPNHRHAOIDXUPM-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-114810
Clc1cc(C2(CCCCC2)C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_60544393	400.945	GVFSPULLKSFCED-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114811
Clc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)ccn2C	SCHEMBL6773801,PC-id_22738038	400.945	LPYXTZYITHNNSK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114812
Clc1cccc(c1)N1CCN(CC1)CCCN1CCCc2c(C1=O)ccn2C	SCHEMBL6774002,PC-id_22737920	400.945	BULLYEDEQOQAGW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114813
Clc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)cn(c2)C	PC-id_22738010,SCHEMBL6774252	400.945	KULWNIKSWUFZFD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-114814
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CC1)c1cccc(c1)Cl	PC-id_111640416	400.948	OXNRGSLXOMTOPE-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-114815
CN=C(NCC1(CC1)c1cccc(c1)Cl)NCCc1nnc2n1CCCCC2	PC-id_111639896	400.948	GDTMXZOYTAEYIH-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-114816
Brc1c2-c(c(c(NC(=O)C)c2)C(=O)OC)ccc(Br)c1	PC-id_85682866	401.05	KVBPZHVYLKWAJV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114817
Brc1cc(OC2CCN(Cc3c2occ3)C)ccc1Br	PC-id_68409935,SCHEMBL2836692	401.093	PVLNGHOTOLPOKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114818
Brc1cc(OC2CCN(Cc3occc23)C)ccc1Br	PC-id_68422395,SCHEMBL2868853	401.093	CPWDUPSOCJCNPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114819
CC(=C1CCc2c(n(cc2S(=N)(=O)N1)C)C(=O)Nc1cc(c(cc1)F)C#N)C	PC-id_163594858	401.132	GSOQEGCTEPICKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114821
CCNC1=NC=C(C=C1)C(=O)C2CCCC3=C(C2=O)SC(=N3)NC(=O)N(C)C	PC-id_147859698	401.152	HWLAKXHSBKMCLA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114822
Ic1c2n(CCCCC2CCO)c(c1)C(=O)C(F)(F)F	PC-id_76022408	401.163	MCLWGFQSOMODIZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-114823
Ic1c2n(CCCC[C@@H]2CCO)c(c1)C(=O)C(F)(F)F	PC-id_53359129	401.163	MCLWGFQSOMODIZ-MRVPVSSYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-114824
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NC=CC=N3	PC-id_155203613	401.206	DHHKGPHYLSMNJR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-114825
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NN=CC=C3	PC-id_155203610	401.206	NFPSOYSEQSUIQN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-114826
BrC1CCCc2c(C1=O)sc(n2)NC(=O)c1c(F)cccc1F	PC-id_59738019,SCHEMBL14172815	401.226	DWRIJLNFNZRETP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114827
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC=C(C3)C	PC-id_155203679	401.231	YGCBWOYJWGSYBC-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-114828
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC(C=C3)C	PC-id_155203724	401.231	BECACDICTYXVEN-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-114829
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CCC(=C3)C	PC-id_155203731	401.231	BKGRRCIVKFTMFL-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-114830
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC(=CC3)C	PC-id_155203747	401.231	QMAZGDWKHMCOAI-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-114831
Clc1c(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)C)cc(F)c(Cl)c1	PC-id_55570644	401.263	HTGKBAWTMUQQDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114832
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc(F)c(Cl)c1	PC-id_55386703	401.283	NCWIEUUWKOMNIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114833
Brc1ccc2ccn(CCNC(=O)c3n[nH]c4CCCCCc34)c2c1	EMOLS-id_323250109,MCULE-3122744228	401.3	WKNYLJIQCJVDHI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-114834
Brc1ccc2n(CCNC(=O)c3n[nH]c4CCCCCc34)ccc2c1	MCULE-5160603409,EMOLS-id_323250365	401.3	XCVBTSMSKLNOIR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-114835
Brc1cc(/C=C(c2n3CCCCCc3nn2)/C#N)c(OCCC)cc1	PC-id_52440939	401.3	GPUBYXPQWRNPRU-PTNGSMBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114836
Brc1cc(C=C(c2n3CCCCCc3nn2)C#N)c(OCCC)cc1	PC-id_75848311	401.3	GPUBYXPQWRNPRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114837
Brc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)c(OCCC)cc1	PC-id_8275325	401.3	GPUBYXPQWRNPRU-RVDMUPIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114838
ClC1(Cl)C(C1)(C)C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_3551886	401.307	SNZPEORRTKYZIW-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-114839
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1c(cc(cc1)C(F)(F)F)F	PC-id_86346061,SCHEMBL16094176	401.312	WURYRLFVTSCMPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114840
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1cc(c(cc1)C(F)(F)F)F	SCHEMBL16093696,PC-id_86346062	401.312	HZDAHSJLPYPLJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114841
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1cc(cc(c1)F)C(F)(F)F	SCHEMBL16093646,PC-id_86346014	401.312	ONBKAGQMZZPNNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114842
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1cc(c(cc1)F)C(F)(F)F	SCHEMBL16093715,PC-id_86346065	401.312	GGCXKTAMSRLXDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114843
Brc1ccc(C=CC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_5146757	401.32	AMCMHWWJPQZSQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114844
Brc1ccc(/C=C/C(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_6284011	401.32	AMCMHWWJPQZSQV-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114845
Brc1cc(C=CC(=O)Nc2sc3CCCCCc3c2C#N)ccc1	EMOLS-id_26069805,MCULE-1653193383,PC-id_4092639	401.32	RZWCVGDEJJKBLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114846
N#Cc1c(NC(=O)/C=C/c2cccc(Br)c2)sc2c1CCCCC2	PC-id_2426709,CoCoCo_3268415,ZINC22_3310944	401.32	RZWCVGDEJJKBLS-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114847
N#Cc1c(NC(=O)/C=Cc2cccc(c2)Br)sc2c1CCCCC2	CoCoCo_3268416	401.32	RZWCVGDEJJKBLS-KTKRTIGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114848
OC(=O)C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353424	401.342	XLGAWLYFGPHTGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114849
Fc1ccc(c(c1)Cn1cnc(n1)C(=O)N[C@@H]1CCn2c(N(C1=O)C)cnc2)F	SCHEMBL18366843	401.37	NUKMTWXCWVAJBK-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114850
Fc1ccc(c(c1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)ncc2)F	SCHEMBL18366842	401.37	MPZMTEAODHDMSB-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114851
Fc1ccc(c(c1)F)Cn1cnc(n1)C(=O)NC1CCn2c(N(C1=O)C)ccn2	SCHEMBL19658940	401.37	FWGGILMFDSJWKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114852
Fc1ccc(c(c1)F)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18372555	401.37	FWGGILMFDSJWKK-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114853
O=C1C(CCn2c(N1C)ccn2)NC(=O)c1ncn(n1)Cc1ccc(c(c1)F)F	SCHEMBL19659196	401.37	NRGNWGPBQKBFKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114854
O=C1C(CCn2c(N1C)ccn2)NC(=O)c1ncn(n1)Cc1cccc(c1F)F	SCHEMBL19659316	401.37	ZKIMVFVHQVBWAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114855
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1ncn(n1)Cc1ccc(c(c1)F)F	SCHEMBL18372785	401.37	NRGNWGPBQKBFKV-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114856
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1ncn(n1)Cc1cccc(c1F)F	SCHEMBL18372791	401.37	ZKIMVFVHQVBWAK-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114857
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1nnc([nH]1)Cc1cccc(c1F)F	SCHEMBL18371491	401.37	LCYDBAHIZVVLJY-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114858
O=C1[C@@H](CCn2c(N1C)cnc2)NC(=O)c1ncn(n1)Cc1c(F)cccc1F	SCHEMBL18367127	401.37	VDMLWBVEBXRROV-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114859
O=C1[C@@H](CCn2c(N1C)ncc2)NC(=O)c1ncn(n1)Cc1c(F)cccc1F	SCHEMBL18367135	401.37	KPRMEIXFJOHICM-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114860
O=C(c1ncn(n1)Cc1c(F)cccc1F)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18366630	401.37	ANOGBMFVPIKAAM-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114861
C=CN=C(c1nc2n(c1C)C=CC(CC=C2)C(F)(F)F)/C=CCOCC(F)F	PC-id_139333865	401.374	IBFWFCNEUNBHCZ-DTVJNGCSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-114862
C=C/N=C(/c1nc2n(c1C)C=CC(CC=C2)C(F)(F)F)C=C/COCC(F)F	SCHEMBL21182229	401.374	IBFWFCNEUNBHCZ-LKFCTHKISA-N	00000000100000000111000000000010000000000000000000000000	31-01-114863
CC([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	SCHEMBL21327967,PC-id_139462829	401.385	CWTNYDKHYMBFPR-LESKNEHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114864
C[C@@H](C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	PC-id_140762715	401.385	CWTNYDKHYMBFPR-KBPLZSHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114865
C[C@H](C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	PC-id_140762776	401.385	CWTNYDKHYMBFPR-SZSXPDSJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114866
C[C@@H]([C@@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	SCHEMBL18352818	401.385	CWTNYDKHYMBFPR-UFBFGSQYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114867
C[C@H]([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	SCHEMBL18352929	401.385	CWTNYDKHYMBFPR-PRHODGIISA-N	00000000100000110101000000000010000000000000000000000000	31-01-114868
C[C@@H]([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	SCHEMBL18353360	401.385	CWTNYDKHYMBFPR-QPUJVOFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114869
C[C@H]([C@@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O	SCHEMBL18353453	401.385	CWTNYDKHYMBFPR-PELKAZGASA-N	00000000100000110101000000000010000000000000000000000000	31-01-114870
OCC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353408	401.385	LRCBBWRMVNXYRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114871
CC1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C	PC-id_139462826,SCHEMBL21327962	401.403	GVDAJOLBWDSAGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114872
C[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C	SCHEMBL18352782	401.403	GVDAJOLBWDSAGU-VIFPVBQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-114873
C[C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)NC1=CCC(C(=C1)C(F)F)F)C	SCHEMBL21337086,PC-id_139471091	401.403	LUFJCTQXYCQFLO-LLTODGECSA-N	00000000100011000111000000000010000000000000000000000000	31-01-114874
CN1CCc2c(S(=O)(=O)C1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C	PC-id_139462825,SCHEMBL21327961	401.403	AYNAAVYKNZPCNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114875
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)Nc2scc(CC(=O)N)n2)n1	CoCoCo_507573,PC-id_46977920,EMOLS-id_30450895,MCULE-4109388410,ZINC22_19661991,SYN-22967113	401.407	FHNMIAAFQCNJAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114876
CCOC(=O)C1=CC=C=Cc2c1cn(n2)Cc1cnc(c(c1)C)OCC(F)(F)C	SCHEMBL19673202	401.407	RRNLTWGEROTWOK-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-114877
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccccc1S(=O)(=O)C(F)F	PC-id_90625496	401.408	NIOJQOUIBXYXEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114878
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3c(cccc3F)F)CCn12	MCULE-4337593218,PC-id_45213761,EMOLS-id_20588151,ChEMBL-DNDi_CHEMBL47606209	401.41	HBHGNRYINAEWPJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114879
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3F)F)CCn12	MCULE-5293769722,EMOLS-id_20396834,PC-id_45169683	401.41	YKSFYOIDXKGJIJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114880
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(F)c3F)CCn12	ChEMBL-DNDi_CHEMBL22502586,PC-id_45186967,EMOLS-id_20471329,MCULE-7393826275	401.41	JOTRJVXGRKVZBP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114881
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccco3)CCn12	ChEMBL-DNDi_CHEMBL15400485,EMOLS-id_232708829,PC-id_45165816,MCULE-3875775654	401.41	VAAUUPNQQYPVJV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114882
c1(cn2c(CCNCC2)n1)C(=O)N1CCN(CC1)c1nnc(C(F)(F)F)s1	MCULE-1178827355,ZINC22_1857737979,EMOLS-id_330485059	401.41	MDIPZLOIRKTNBO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-114883
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2	ZINC22_20450605,CoCoCo_1230405,CoCoCo_1230404	401.41	JOTRJVXGRKVZBP-CYBMUJFWSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114884
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2	ZINC22_20450607,CoCoCo_1230407,CoCoCo_1230406	401.41	JOTRJVXGRKVZBP-ZDUSSCGKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114885
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	PC-id_30852658,CoCoCo_1127604,ZINC22_23129146,CoCoCo_1127605	401.41	YKSFYOIDXKGJIJ-ZDUSSCGKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114886
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	ZINC22_23129145,PC-id_30852657,CoCoCo_1127602,CoCoCo_1127603	401.41	YKSFYOIDXKGJIJ-CYBMUJFWSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114887
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2	CoCoCo_1400589,ZINC22_19223866,CoCoCo_1400588	401.41	HBHGNRYINAEWPJ-CYBMUJFWSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114888
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2	CoCoCo_1400590,CoCoCo_1400591,ZINC22_19223870	401.41	HBHGNRYINAEWPJ-ZDUSSCGKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114889
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccco1)CC2	ZINC22_19745873,PC-id_28313461	401.41	VAAUUPNQQYPVJV-CYBMUJFWSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114890
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccco1)CC2	ZINC22_19745875,PC-id_28313462	401.41	VAAUUPNQQYPVJV-ZDUSSCGKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114891
Fc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1F	EMOLS-id_20562171,ZINC22_20999874,PC-id_29259332,MCULE-2280375637	401.41	XIXWWKDQROGKFX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114892
Fc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c(F)c1	ZINC22_23337582,MCULE-4056019107,PC-id_31015790,EMOLS-id_20563909	401.41	RLCWRYIOAGLNPA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114893
Fc1cc(CN2CCn3c(nnc3CCNC(=O)c3occc3)CC2)ccc1F	ChEMBL-DNDi_CHEMBL38391231,PC-id_42359447	401.41	CXBJRLHBCPLLAP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114894
Fc1cc(F)cc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c1	EMOLS-id_20524661,PC-id_29154241,CoCoCo_1306969,MCULE-1367998447,CoCoCo_1306968,ZINC22_20785759	401.41	PMHCWWDLZSWHAB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114895
Fc1cc(F)cc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1	MCULE-5620302372,EMOLS-id_20510137,ZINC22_20776216,PC-id_29150356	401.41	ILHLATIMLGAOQM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114896
Fc1c(CN2CCn3c(nnc3CCNC(=O)c3ccoc3)CC2)c(F)ccc1	PC-id_28346695	401.41	XVCSGGPGFVAFSQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114897
Fc1c(CN2CCn3c(nnc3CCNC(=O)c3occc3)CC2)c(F)ccc1	PC-id_31015555	401.41	LWRPQHUVQMDSHV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114898
O=C(c1cocc1)NCCc1nnc2n1CCN(CC2)Cc1cccc(c1F)F	CoCoCo_1156489,CoCoCo_1156490	401.41	JQGAMJCBOOOUFV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-114899
CC(N1CCCC1)ONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O	PC-id_141055251	401.413	MCVYOHHWMLOJLE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114900
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)N1CCOCC1)[N+](=O)[O-]	SCHEMBL14965793,PC-id_89580176	401.416	YTFRFFPUNHOJIJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114901
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(ccc1)C(=O)NCC(=O)OC	PC-id_55848492	401.416	DDFBGZNSGGJBHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114902
O=C(NCCc1n2CCCCCc2nn1)c1cc(cc([N+](=O)[O-])c1)C(=O)OCC	PC-id_55535556	401.416	NLAPUZALOBVIFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114903
O=C(N1CCN(CC1)c1ncc([N+](=O)[O-])cc1)Cn1nc2n(CCCCC2)c1=O	PC-id_56345009	401.42	LEFROGFTIHAQRB-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-114904
O=C(N1CCCn2nc(cc2C1)C(=O)Nc1ccccc1)c1nn2c(nccc2)c1	PC-id_50953625	401.421	ASUWDZLUTNVDRP-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-114905
CC(C)(C)C(C(=O)N)NC(=O)c1c2CN(CCCn2c(n1)C(=C)C(F)(F)F)C	PC-id_89797096	401.427	JISRPJRRHJGLEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114906
CN1CCCn2c(C1)c(nc2C(=C)C(F)(F)F)C(=O)N[C@@H](C(C)(C)C)C(=O)N	SCHEMBL15248024	401.427	JISRPJRRHJGLEW-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114907
CCNC(=O)C(C)NC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	PC-id_46049804,EMOLS-id_25388192,MCULE-7076314055	401.435	VZSVSGRQCXPXBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114908
CCNC(=O)[C@H](NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccc(cc1)F)C	PC-id_93332508	401.435	VZSVSGRQCXPXBI-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114909
CCNC(=O)[C@@H](NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccc(cc1)F)C	PC-id_93332509	401.435	VZSVSGRQCXPXBI-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114910
CCNC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	EMOLS-id_25388934,MCULE-8010835749,PC-id_46049821	401.435	SZVWOMJXNCQLNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114911
COC(=O)CNCc1ccc(cc1F)C(=O)N1C/C(=CC)/Nc2c(C1)cnn2C	PC-id_143188869	401.435	REUDGPNSZUWLOK-AYSLTRBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114912
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCC)cc1	PC-id_46159950	401.435	MVZHVBAMLMZROR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114913
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)NC(C)C)cc1	PC-id_42855041	401.435	LBRSEVMQPSAKDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114914
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)NCCC)cc1	PC-id_42855046	401.435	NEHWRTTUGMFZNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114915
N#Cc1c(NC(=O)COC(=O)CNC(=O)c2ccco2)sc2c1CCCCC2	CoCoCo_3067074,PC-id_29155315,MCULE-5329827580,ZINC22_20790792,EMOLS-id_43772000	401.436	NGVMZLDCPAHKCV-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-114916
s1c2CCCCCc2c(c1NC(=O)COc1c(OC)ccc([N+](=O)[O-])c1)C#N	PC-id_26217082	401.436	BKDMDXAUDAIPQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114917
s1c2CCCCCc2c(c1NC(=O)COc1c(OC)cc([N+](=O)[O-])cc1)C#N	PC-id_60619137	401.436	SFKCAZOYFBCYCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114918
N#Cc1ccc(cc1)C(=O)N1C=C(C(=O)OC(C)C)c2c(C(C1)(C)C)cc([n-]2)C#N	GD-id_ZINC45286584	401.438	HBEJTRDGVKBVPS-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-114919
CCC1(CC)COc2c(OC1)c(n(c2C(=O)OC)Cc1ccccc1)C(=O)OC	SCHEMBL4236082,PC-id_68968622	401.453	MNJOPEJFJNKDOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114920
CCCCc1c(NC(=O)C)c(c2-c1ccc(cc2)CC(=O)OC)OC(=O)OCC	SCHEMBL8527123,PC-id_17776103	401.453	JFUVYQMTIADGBG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114921
CCNC(=NCc1nnc2n1CCCCC2)NCc1scc(n1)C(F)(F)F	PC-id_111617447	401.453	VZAGSPPXPMVERX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114922
CCOC(=O)c1cc2c(n1Cc1cc(OC)c(c(c1)OC)OC)C(=O)CCCC2	PC-id_122705231,SCHEMBL18250052	401.453	IOTRFCTXPFOAFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114923
CCOC(=O)Oc1c(NC(=O)C)c(c2-c1ccc(cc2)CC(=O)OC)CC(C)C	SCHEMBL8526525,PC-id_17776082	401.453	GCCXQWSELWIJFO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-114924
CN=C(NCc1nnc2n1CCCCC2)NCCc1scc(n1)C(F)(F)F	PC-id_111687584	401.453	NYRMCGKZUKDKFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114925
CN=C(NCc1scc(n1)C(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111616840	401.453	OXDNJTYORMDYPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-114926
O1CC(COc2c1c(n(c2C(=O)OCC)Cc1ccccc1)C(=O)OCC)(C)C	PC-id_59089976	401.453	KYSRKCQNEDRGPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114927
O=C1N(CCc2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)C(=O)c2c1cccc2	PC-id_10250455	401.454	YYWBXAHMSSPHAL-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-114928
O=C1N(CCc2c3-c(c(c2)C(=O)OC)cc(C(C)C)ccc3)C(=O)c2c1cccc2	PC-id_10250456	401.454	BXKJQOQSDOYHKA-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-114929
O=C1N(CCCCCc2c3-c(c(c2)C(=O)OC)ccccc3)C(=O)c2c1cccc2	PC-id_11741759	401.454	DVEJSMVLNDZUML-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-114930
Fc1cccc(c1)C1=NOC(C1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_71896826,EMOLS-id_44528228,MCULE-7648096273	401.455	YCJGXMQJMAXBDI-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-114931
Fc1cccc(c1)C1=NO[C@@H](C1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_97011339	401.455	YCJGXMQJMAXBDI-INIZCTEOSA-N	00000011100000110101100000000010000000000000000000000000	31-01-114932
Fc1cccc(c1)C1=NO[C@H](C1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_97011340	401.455	YCJGXMQJMAXBDI-MRXNPFEDSA-N	00000011100000110101100000000010000000000000000000000000	31-01-114933
s1c2c(CCCCC2)c(c1NC(=O)C1ON=C(C1)c1cc(F)ccc1)C(=O)N	PC-id_55667310	401.455	DPCYGWSUGOGEHH-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-114934
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1c(N)cc(F)cc1)C)C#N	PC-id_8471382	401.455	RJILTRBSKNQPTP-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-114935
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(N)cc(F)cc1)C)C#N	PC-id_55424667	401.455	RJILTRBSKNQPTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-114936
COc1c(cc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)N1CCOCC1)OC	PC-id_134806538	401.456	CDGFKCKYXOAGAU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-114937
s1c2CCCCCc2cc1C(=O)NN=Cc1c(c(OC)c(OC)cc1)C(=O)[O-]	PC-id_84890294	401.456	ZWBPFUAIRRWLSF-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-114938
Fc1ccc(cc1)N1N=C(CC1C(=O)N)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_24113531,MCULE-4026112254,PC-id_42889746	401.458	HVXRWABYXSPMOQ-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-114939
NC(=O)[C@H]1CC(=NN1c1ccc(F)cc1)C(=O)Nc1nc2c(s1)CCCCC2	GD-id_ZINC12915436,PC-id_25600968,CoCoCo_4692894,ZINC22_12915436	401.458	HVXRWABYXSPMOQ-OAHLLOKOSA-N	00000011100000110101100000000010000000000000000000000000	31-01-114940
NC(=O)[C@@H]1CC(=NN1c1ccc(F)cc1)C(=O)Nc1nc2c(s1)CCCCC2	ZINC22_12915433,PC-id_25600964,CoCoCo_4692895	401.458	HVXRWABYXSPMOQ-HNNXBMFYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-114941
S1C(=NC(=O)C1CC(=O)Nc1ccc(F)cc1)Cc1n2CCCCCc2nn1	PC-id_78678596	401.458	MAKCIHXTMHTSFQ-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-114942
S1C(=NC(=O)C1CC(=O)Nc1c(F)cccc1)Cc1n2CCCCCc2nn1	PC-id_78678599	401.458	KJWOQZJVLDLCBP-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-114943
S1C(=NC(=O)[C@H]1CC(=O)Nc1ccc(F)cc1)Cc1n2CCCCCc2nn1	PC-id_8375424	401.458	MAKCIHXTMHTSFQ-CQSZACIVSA-N	00000011100000110101000000000010000000000000000000000000	31-01-114944
S1C(=NC(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1)Cc1n2CCCCCc2nn1	PC-id_8375428	401.458	MAKCIHXTMHTSFQ-AWEZNQCLSA-N	00000011100000110101000000000010000000000000000000000000	31-01-114945
S1C(=NC(=O)[C@H]1CC(=O)Nc1c(F)cccc1)Cc1n2CCCCCc2nn1	PC-id_8375433	401.458	KJWOQZJVLDLCBP-CQSZACIVSA-N	00000011100000110101000000000010000000000000000000000000	31-01-114946
S1C(=NC(=O)[C@@H]1CC(=O)Nc1c(F)cccc1)Cc1n2CCCCCc2nn1	PC-id_8375439	401.458	KJWOQZJVLDLCBP-AWEZNQCLSA-N	00000011100000110101000000000010000000000000000000000000	31-01-114947
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)ncc1Cc1c(F)cccc1	PC-id_55797433	401.458	VKZKSWNRAABORK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114948
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(NC(=O)OCC(C)C)ccc1	PC-id_56072965	401.459	ITNWWEMGLPELMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114949
O=c1n2CCCCCc2nn1CC(=O)N(CCC(=O)OCC)Cc1cccnc1	PC-id_56166251	401.459	CLWDXWYXXMOTPJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-114950
O=c1n2CCCCCc2nn1CC(=O)Oc1ccc(N(C(=O)NC(C)C)C)cc1	PC-id_55828728	401.459	ODCTVPWNKQHCDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-114951
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CC(C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1)n1cnc2ccccc12	MCULE-9962821958,EMOLS-id_290031329	401.464	BIHKRKVMHWIQGB-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-114964
C[C@@H](C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1)n1cnc2ccccc12	ZINC22_952868531	401.464	BIHKRKVMHWIQGB-INIZCTEOSA-N	00000000100000101101000001000010000000000000000000000000	31-01-114965
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CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(C1)CC(F)(F)F	PC-id_111915701	401.473	VWOLTOMTOZYHSE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-114970
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CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccc(cc1)C#N	EMOLS-id_97100026,MCULE-3827916524	401.483	QZAPUBFRNRSEKW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-115031
CNCC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)NCC	PC-id_58256621,SCHEMBL12598918	401.483	XLISAQARIYQKAZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115032
CN(C(=O)Nc1sc2c(n1)CCCC(C2=O)C(=O)c1ccc(nc1)N(C)C)C	PC-id_58256752,SCHEMBL12598912	401.483	OWSAUZFUBRUTDG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115033
COc1ccc(cc1S(=O)(=O)NCc1n[nH]c2CCCCCc12)n1cccn1	MCULE-7935152527,ZINC22_670461045,EMOLS-id_222780739	401.483	WNPPSUDXCQBWLT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115034
O=C(N1CCN(CC1)c1ccccc1[N+](=O)[O-])Nc1nc2c(s1)CCCCC2	PC-id_112825087	401.483	XGXMADWEPRJMJS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115035
[O-][N+](=O)c1ccccc1OCCN1CC[NH+](CC1)Cc1nnc2n1CCCCC2	GD-id_ZINC51534028	401.483	OUGWTKVKFCQELH-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-115036
S(=O)(=O)(NCC#C)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55483569	401.483	YXEPTOQAACAKJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115037
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(F)cc1)C(=O)OCCC	PC-id_4601816	401.494	BOPOBLZHOCERDR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115038
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(F)cc1)C(=O)OC(C)C	PC-id_4614749	401.494	FMMKAEPNZSYTGG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115039
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(F)cc1)C(=O)OCCC	PC-id_6161454	401.494	BOPOBLZHOCERDR-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115040
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(F)cc1)C(=O)OC(C)C	PC-id_6164704	401.494	FMMKAEPNZSYTGG-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115041
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1ccc(F)cc1)C(=O)OCC	PC-id_3488001	401.494	XWEQREGRQYYCJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115042
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1ccc(F)cc1)C(=O)OCC	PC-id_5840845	401.494	XWEQREGRQYYCJQ-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115043
s1c2CCCCCc2c(c1NC(=O)CN(CCOc1c(F)cccc1)C)C#N	PC-id_26387003	401.498	LHNDZHKFHSISPG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115044
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1nc(oc1C)c1cccs1	PC-id_71895561,EMOLS-id_44530610,MCULE-2944947226	401.502	OSKODMURTBHZCO-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-115045
s1c2CCCCCc2cc1C(=O)Nc1scc(n1)c1cc([nH]c1)C(=O)OC	PC-id_37142040	401.502	ZHXHERCOJZYZEW-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-115046
s1c2CCCCCc2cc1C(=O)NNC(=O)CSc1oc2c(n1)cccc2	PC-id_9300998	401.502	VBFCADGJXOTDBF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115047
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(SC)nccc1)C#N	PC-id_3976480	401.502	KXFIVKKUQBHYAO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-115048
s1c2CCCCCCc2c(c1NC(=O)CSc1ncccc1C(=O)O)C#N	PC-id_5052177	401.502	HKXRXCZUJMLMCO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-115049
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3cccc(OC)c3O)CCn12	MCULE-9922819633,ChEMBL-DNDi_CHEMBL50328396,EMOLS-id_20598753,PC-id_45216247	401.503	KOJQCSNFFOSPGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115050
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(c(OC)c3)O)CCn12	PC-id_45190074,EMOLS-id_20485011,MCULE-9870642691	401.503	WSQFPLDWERIREO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115051
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccc(C)o3)CCn12	MCULE-4568304090,PC-id_45212428,EMOLS-id_20582465	401.503	MACMDTLMDZMPKS-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-115052
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3cc(OC)ccc3O)CCn12	MCULE-8849830696,ChEMBL-DNDi_CHEMBL48139527,PC-id_45214272,EMOLS-id_20590381	401.503	ZJURJPIZGIEECE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115053
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(cc3)OC)CCn12	ChEMBL-DNDi_CHEMBL17436505,EMOLS-id_20440185,MCULE-7722292238,PC-id_45179744	401.503	QHNKNJWJZDJVHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115054
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3cccc(OC)c3)CCn12	EMOLS-id_20511623,PC-id_45196149,MCULE-7281221927	401.503	YUYXZUPJELXNRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115055
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(c(OC)c3)OC)CCn12	MCULE-3561950015,ChEMBL-DNDi_CHEMBL32230087,EMOLS-id_20521531,PC-id_45198364	401.503	ZQFZLYWJMULULG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115056
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3cccc(OC)c3OC)CCn12	PC-id_45201433,MCULE-3776277051,EMOLS-id_20534811	401.503	ZVUOMNWPCBXZOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115057
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(c(OCC)c3)O)CCn12	MCULE-2448079138,ChEMBL-DNDi_CHEMBL40029299,PC-id_45206546,EMOLS-id_20557221	401.503	ZSBBWBMHTNMIEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115058
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3cc(OC)cc(OC)c3)CCn12	EMOLS-id_20589619,PC-id_45214102,ChEMBL-DNDi_CHEMBL47947446,MCULE-1621719038	401.503	KMDZNLWUHQACAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115059
Cc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)o1	CoCoCo_1392106,ZINC22_14994278,CoCoCo_1392105	401.503	MACMDTLMDZMPKS-QFBILLFUSA-N	00000010101000000101000000000010000000000000000000000000	31-01-115060
Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)o1	CoCoCo_1392112,CoCoCo_1392111,ZINC22_14994275	401.503	MACMDTLMDZMPKS-APWZRJJASA-N	00000010101000000101000000000010000000000000000000000000	31-01-115061
Cc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)o1	ZINC22_14994272,CoCoCo_1392108,CoCoCo_1392107	401.503	MACMDTLMDZMPKS-VQIMIIECSA-N	00000010101000000101000000000010000000000000000000000000	31-01-115062
Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)o1	ZINC22_14994280,CoCoCo_1392109,CoCoCo_1392110	401.503	MACMDTLMDZMPKS-LPHOPBHVSA-N	00000010101000000101000000000010000000000000000000000000	31-01-115063
Cc1noc(C)c1Cn1nc2CCC(CCn2c1=O)C(=O)NCC1CCCCC1	EMOLS-id_207876785,MCULE-7569895021	401.503	HMNHUCKRSYZDHT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-115064
CCC(C)C(=O)NCc1nnc2CCN(Cc3cccc(OC)c3OC)CCn12	ChEMBL-DNDi_CHEMBL19168730,EMOLS-id_20451167,MCULE-4500465945,PC-id_45182232	401.503	SUVDPMBRIAUYAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115065
CCC(C)C(=O)NCc1nnc2CCN(Cc3cc(OC)cc(OC)c3)CCn12	PC-id_45202986,EMOLS-id_20541523,MCULE-1494363272	401.503	BFOUIMGYGDUJBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115066
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cccc(OC)c1OC)CC2	CoCoCo_1201952,CoCoCo_1201954,PC-id_26277769,ZINC22_14882025	401.503	SUVDPMBRIAUYAO-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115067
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cccc(OC)c1OC)CC2	ZINC22_14882026,CoCoCo_1201951,PC-id_26277771,CoCoCo_1201953	401.503	SUVDPMBRIAUYAO-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115068
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)cc(OC)c1)CC2	CoCoCo_1331358,CoCoCo_1331360,ZINC22_12163992	401.503	BFOUIMGYGDUJBA-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115069
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)cc(OC)c1)CC2	ZINC22_12163984,CoCoCo_1331361,CoCoCo_1331359	401.503	BFOUIMGYGDUJBA-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115070
CCC(=O)NC(c1nnc2n1CCN(CC2)Cc1ccc(cc1OC)O)C(C)C	ChEMBL-DNDi_CHEMBL13615088	401.503	LXRHKGZPXGMDFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115071
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cc(OC)ccc1O)CC2)C(C)C	CoCoCo_1403944,CoCoCo_1403943,ZINC22_14999338	401.503	ZJURJPIZGIEECE-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115072
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1cc(OC)ccc1O)CC2)C(C)C	ZINC22_14999335,CoCoCo_1403946,CoCoCo_1403945	401.503	ZJURJPIZGIEECE-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115073
CCOc1ccccc1CN1CCc2nnc(C(C)NC(=O)CCOC)n2CC1	MCULE-7112878378,EMOLS-id_20456637,PC-id_45183506	401.503	FAUPQTBLMUIOGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115074
CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)CCOC)n2CC1	CoCoCo_1209399,CoCoCo_1209398,ZINC22_14884617,PC-id_26279924	401.503	FAUPQTBLMUIOGN-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115075
CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)CCOC)n2CC1	CoCoCo_1209400,CoCoCo_1209401,ZINC22_14884619,PC-id_26279926	401.503	FAUPQTBLMUIOGN-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115076
CCOc1cccc(c1O)CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)C(C)C)C	CoCoCo_1298115,CoCoCo_1298114,PC-id_29152558	401.503	DGTCDAOVYJLSSD-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115077
CCOc1cccc(c1O)CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)C(C)C)C	PC-id_29152559,CoCoCo_1298117,CoCoCo_1298116	401.503	DGTCDAOVYJLSSD-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115078
CCOc1cccc(c1O)CN1CCc2n(CC1)c(nn2)C(NC(=O)C(C)C)C	ChEMBL-DNDi_CHEMBL31608682,PC-id_45197704	401.503	DGTCDAOVYJLSSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115079
CCOc1cccc(CN2CCc3nnc(CNC(=O)C(C)CC)n3CC2)c1O	EMOLS-id_20428809,MCULE-2178765810,ChEMBL-DNDi_CHEMBL15688515,PC-id_45177103	401.503	MSJIWSWBUAJJFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115080
CCOc1cccc(CN2CCc3nnc(CNC(=O)[C@@H](C)CC)n3CC2)c1O	CoCoCo_1170975,CoCoCo_1170973,ZINC22_11788628	401.503	MSJIWSWBUAJJFH-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115081
CCOc1cccc(CN2CCc3nnc(CNC(=O)[C@H](C)CC)n3CC2)c1O	CoCoCo_1170976,CoCoCo_1170974,ZINC22_11788629	401.503	MSJIWSWBUAJJFH-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115082
CCOc1ccc(CN2CCc3nnc(C(C)NC(=O)CCOC)n3CC2)cc1	PC-id_45180652,MCULE-6409796214,EMOLS-id_20444239	401.503	KVAQWXZIYPGIBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115083
CCOc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCOC)n3CC2)cc1	CoCoCo_1192260,CoCoCo_1192261,ZINC22_14879269,PC-id_26275103	401.503	KVAQWXZIYPGIBV-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115084
CCOc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCOC)n3CC2)cc1	PC-id_26275105,CoCoCo_1192263,CoCoCo_1192262,ZINC22_14879270	401.503	KVAQWXZIYPGIBV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115085
CCOc1cc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)ccc1O	CoCoCo_1354379,ZINC22_20998614,CoCoCo_1354380,PC-id_29257982	401.503	ZSBBWBMHTNMIEW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115086
CCOc1cc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)ccc1O	ZINC22_20998612,PC-id_29257981,CoCoCo_1354377,CoCoCo_1354378	401.503	ZSBBWBMHTNMIEW-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115087
CCOc1cc(CN2CCc3nnc(CNC(=O)C(C)CC)n3CC2)ccc1O	MCULE-2713168763,PC-id_45182814,EMOLS-id_20453641	401.503	LHMQNIPVGGWLRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115088
CCOc1cc(CN2CCc3nnc(CNC(=O)[C@@H](C)CC)n3CC2)ccc1O	CoCoCo_1205344,CoCoCo_1205346,ZINC22_14882822	401.503	LHMQNIPVGGWLRY-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115089
CCOc1cc(CN2CCc3nnc(CNC(=O)[C@H](C)CC)n3CC2)ccc1O	ZINC22_14882823,CoCoCo_1205347,CoCoCo_1205345	401.503	LHMQNIPVGGWLRY-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115090
COc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)c1O	CoCoCo_1416341,ZINC22_12149206,CoCoCo_1416342	401.503	KOJQCSNFFOSPGJ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115091
COc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)c1O	CoCoCo_1416344,CoCoCo_1416343,ZINC22_12149207	401.503	KOJQCSNFFOSPGJ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115092
COc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c1OC	CoCoCo_1321563,CoCoCo_1321564,ZINC22_12135595,PC-id_42425070	401.503	ZVUOMNWPCBXZOY-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115093
COc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c1OC	PC-id_42425074,CoCoCo_1321566,CoCoCo_1321565,ZINC22_12135597	401.503	ZVUOMNWPCBXZOY-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115094
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1OC	CoCoCo_1302526,CoCoCo_1302525,PC-id_42366788,ZINC22_12035507	401.503	ZQFZLYWJMULULG-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115095
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1OC	PC-id_42366790,CoCoCo_1302528,CoCoCo_1302527,ZINC22_12035510	401.503	ZQFZLYWJMULULG-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115096
COc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)ccc1O	CoCoCo_1249783,PC-id_42324697,ZINC22_11973489,CoCoCo_1249784	401.503	WSQFPLDWERIREO-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115097
COc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)ccc1O	PC-id_42324691,CoCoCo_1249781,CoCoCo_1249782,ZINC22_11973481	401.503	WSQFPLDWERIREO-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115098
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc(OC)c1	CoCoCo_1402832,ZINC22_14998764,PC-id_26354539,CoCoCo_1402831	401.503	KMDZNLWUHQACAB-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115099
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc(OC)c1	CoCoCo_1402833,CoCoCo_1402834,PC-id_26354542,ZINC22_14998767	401.503	KMDZNLWUHQACAB-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115100
COCC(=O)NC(c1nnc2n1CCN(CC2)C/C=C/c1ccco1)CC(C)C	PC-id_45187319,ChEMBL-DNDi_CHEMBL22787133	401.503	CQSQTNDCTBYCLW-GQCTYLIASA-N	00000000101000000101000000000010000000000000000000000000	31-01-115101
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cccc(OC)c1)CC2)C(C)C	CoCoCo_1288022,CoCoCo_1288023,ZINC22_11911230	401.503	YUYXZUPJELXNRN-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115102
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1cccc(OC)c1)CC2)C(C)C	CoCoCo_1288024,CoCoCo_1288025,ZINC22_11911229	401.503	YUYXZUPJELXNRN-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115103
O=C(Cc1ccccc1)NCc1nnc2n1CCN(CC2)C/C=Cc1ccccc1	CoCoCo_1389902,CoCoCo_1389900	401.504	XSBCSBGGFZDKJQ-GHXNOFRVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115123
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(OC)cc1)CC2)C(C)C	CoCoCo_1186899,ZINC22_12202855,CoCoCo_1186898	401.503	QHNKNJWJZDJVHW-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115104
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(OC)cc1)CC2)C(C)C	ZINC22_12202849,CoCoCo_1186901,CoCoCo_1186900	401.503	QHNKNJWJZDJVHW-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115105
COCC(=O)N[C@@H](c1nnc2n1CCN(CC2)C/C=Cc1ccco1)CC(C)C	CoCoCo_1232654,CoCoCo_1232652	401.503	CQSQTNDCTBYCLW-WLPBJKJWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-115106
COCC(=O)N[C@@H](c1nnc2n1CCN(CC2)C/C=C/c1ccco1)CC(C)C	CoCoCo_1232655,CoCoCo_1232653	401.503	CQSQTNDCTBYCLW-MJICGBHWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-115107
COCC(=O)N[C@H](c1nnc2n1CCN(CC2)C/C=Cc1ccco1)CC(C)C	CoCoCo_1232658,CoCoCo_1232656	401.503	CQSQTNDCTBYCLW-SUZKBHRPSA-N	00000000101000000101000000000010000000000000000000000000	31-01-115108
COCC(=O)N[C@H](c1nnc2n1CCN(CC2)C/C=C/c1ccco1)CC(C)C	CoCoCo_1232659,CoCoCo_1232657	401.503	CQSQTNDCTBYCLW-JXTAAOLFSA-N	00000000101000000101000000000010000000000000000000000000	31-01-115109
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(OCCN(CC)CC)cc1	PC-id_55580125	401.503	IOWQAHUCEABHAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115110
O=c1n2CCCCCc2nn1CC(=O)Nc1c(OCCN(CC)CC)cccc1	PC-id_55583562	401.503	IUUAWNZLXIJOOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115111
O=C(N(Cc1n2CCCCCc2nn1)c1cc(OC)cc(OC)c1)NCCCC	PC-id_7566130	401.503	ZYYVKFPZUPXKAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115112
O=C(N(Cc1n2CCCCCc2nn1)c1cc(OC)c(OC)cc1)NCCCC	PC-id_7566170	401.503	OWAYRAFONQNDRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115113
O=C(N(Cc1n2CCCCCc2nn1)c1c(OC)ccc(OC)c1)NCCCC	PC-id_7566110	401.503	OJDCLXDLUVOMOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115114
O=C(N(Cc1n2CCCCCc2nn1)c1c(OC)cc(OC)cc1)NCCCC	PC-id_7565940	401.503	ZXURKCXGIADMAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115115
O=C(NC(c1n2CCN(CCc2nn1)CC=Cc1occc1)CC(C)C)COC	PC-id_75099486	401.503	CQSQTNDCTBYCLW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-115116
C/C=CC(=C/C=C)c1nc2n(n1)C(=O)C=C(CN2)CN(C1Cc2c(C1)cccc2)C	PC-id_136985246,SCHEMBL17399746	401.504	LKZAFQLHULYZFR-MZHOJPJSSA-N	00000010100000100111000000001010000000000000000000000000	31-01-115117
Cn1nc(c2c1N=CCC=N2)NCC(c1ccccc1)CCOCc1ccccc1	PC-id_143425315	401.504	NVKWYLWVMNGJDH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115118
n12CCN(CCc1nnc2CNC(=O)Cc1ccccc1)CC=Cc1ccccc1	PC-id_74499259,MCULE-2391060225	401.504	XSBCSBGGFZDKJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115119
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O(c1cc(CNCCc2n3CCCCCc3nn2)ccc1)Cc1cc(ccc1)C#N	PC-id_56436789	401.504	RMRIBTOEHNVXHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115121
O=C(Cc1ccccc1)NCc1nnc2CCN(C/C=C/c3ccccc3)CCn12	CoCoCo_1389903,CoCoCo_1389901,EMOLS-id_26007363,PC-id_26348988,ZINC22_14993715,ChEMBL-DNDi_CHEMBL45829431	401.504	XSBCSBGGFZDKJQ-KPKJPENVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115122
CCC(C(=O)Nc1noc(c1)C)N1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_31953731,MCULE-4054555129,PC-id_47035027	401.506	AOAZNCKFKLYJID-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-115124
N1(C(=O)CSC1=S)CC(=O)N1CCn2c(CC1)nnc2Cc1ccccc1	EMOLS-id_20549919,MCULE-6411440249,ZINC22_12191704,PC-id_42452794,CoCoCo_1343477	401.506	JMMKNANVPLXVPW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-115125
O=C(Nc1noc(c1)C)[C@@H](N1CCN(CC1)Cc1n2CCCCCc2nn1)CC	PC-id_52284966	401.506	AOAZNCKFKLYJID-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-115126
O=C(Nc1noc(c1)C)[C@H](N1CCN(CC1)Cc1n2CCCCCc2nn1)CC	PC-id_52284968	401.506	AOAZNCKFKLYJID-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-115127
CCNC(=NCc1nnc2n1CCCCC2)NC1CCc2n(C1)nc(n2)COC	PC-id_109731531	401.509	IMYFIPQDNSNLIV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-115128
O=C(c1ccc(cc1)CC1(F)CCCCCc2c1nnn2C(C)C)OC(C)(C)C	PC-id_138649611,SCHEMBL21017965	401.517	GXTGWGMTGQYFSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115129
c1(c2CCCCCc2sc1NC(=O)c1ccccc1OCC)C(=O)OC(C)C	SPECS-id_AK-968/12573131,MCULE-5371181536,TIMTEC467468,ZINC22_2745719,PC-id_2164978,EMOLS-id_2442163,CoCoCo_5819820	401.519	TXCXMTDVGDPEKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115130
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)OC(C)C	ChEMBL-DNDi_CHEMBL5691902,PC-id_1741318,TIMTEC461087,CoCoCo_682820,ZINC22_2082069,EMOLS-id_1133435,SPECS-id_AK-968/11992818,MCULE-3207477452	401.519	SWCPJAKGVWJHTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115131
c1(NC(=O)c2ccc(cc2)OCCC)sc2c(CCCCC2)c1C(=O)OCC	CHEMBL1476947,MCULE-6651169463,ChEMBL-DNDi_CHEMBL3089-1067,CoCoCo_1713291,EMOLS-id_8838575,ZINC22_2767993,PC-id_15991070,TIMTEC502044	401.519	VJSHSTUQENIHLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115132
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCCCC2)c1C(=O)OCCC	TIMTEC383268,SPECS-id_AK-968/11841762,ZINC22_2081289,MCULE-5688499627,CoCoCo_5815260,EMOLS-id_1094468,PC-id_1740637	401.519	PNGAGMMHOGMMTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115133
c1(NC(=O)c2ccc(cc2)OCC)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_5817613,MCULE-1289420361,EMOLS-id_4080333,ZINC22_2083676,TIMTEC606273,SPECS-id_AK-968/12162013,PC-id_1742566	401.519	ZWEDEYUWRTUITJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115134
c1(NC(=O)c2ccccc2OCC)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC362677,SPECS-id_AK-968/13407014,PC-id_1745071,CoCoCo_5822552,EMOLS-id_4080341,MCULE-9670872794,ZINC22_2086745	401.519	OQHDSRAXEDGOQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115135
c1(NC(=O)Cc2ccc(OC)cc2)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-2307881805,TIMTEC93662,ChEMBL-DNDi_CHEMBL7235457,EMOLS-id_2440983,ZINC22_1140286,PC-id_1313120,CoCoCo_897581	401.519	CCCYZYLYMKPRKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115136
c1(NC(=O)CCc2ccc(OC)cc2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_2165910,EMOLS-id_2439963,MCULE-5723735038,CoCoCo_895706,ZINC22_2750372,TIMTEC422165	401.519	REOOTMVNEDCNGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115137
c1(NC(=O)CCc2ccc(OC)cc2)sc2c(CCCCCC2)c1C(=O)OC	TIMTEC389082,EMOLS-id_4080337,ZINC22_4611512,CoCoCo_6803123,PC-id_3381604,SPECS-id_AK-968/11841287,MCULE-1809138900	401.519	PTRLQILIVBNPMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115138
c1(NC(=O)COc2ccc(cc2)CCC)sc2c(CCCCC2)c1C(=O)OC	SPECS-id_AK-968/12346708,ZINC22_2084858,MCULE-8281949170,BAS-02052629,EMOLS-id_1363025,PC-id_1743511,TOSLab_9771,CHEMBL1567564,CoCoCo_228623	401.519	BCDITPKABGOGEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115139
c1(NC(=O)COc2cccc(C)c2C)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_6777697,PC-id_1283016,MCULE-1959190062,ZINC22_1102608,CoCoCo_1754948	401.519	QJXKZQDGCOEWKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115140
c1(NC(=O)CCC(=O)Nc2ccccc2OCCC)sc2c(CCCCC2)n1	MCULE-8248865654,EMOLS-id_334977781	401.522	LKXWGMRRUZGFNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115161
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_647928,SPECS-id_AK-968/41017160,MCULE-3219287903,TIMTEC432462,CoCoCo_5807237,EMOLS-id_4080335,PC-id_994453	401.519	RQHXQZXHDBRGLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115141
s1c2c(CCCCC2)c(c1NCc1c(OC(=O)C)ccc(c1)C)C(=O)OCC	PC-id_23912729	401.519	ZGUGAMDQUBSJKD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115142
s1c2c(CCCCC2)c(c1NCc1c(OC(=O)C)cc(cc1)C)C(=O)OCC	PC-id_24104250	401.519	OGDOVOAZATZOPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115143
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OCC)cc1)C(=O)OC(C)C	PC-id_3623124	401.519	WUJQQTDSGMQXRP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115144
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OC(C)C)cc1)C(=O)OCC	PC-id_4461823	401.519	HVTDTOYCFRWLCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115145
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OCCCC)cc1)C(=O)OC	PC-id_3706876	401.519	HPWLZKQAXBRLKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115146
s1c2c(CCCCC2)c(c1NC(=O)c1c(OCC)cccc1)C(=O)OCCC	PC-id_4108541	401.519	UYONEQPVHDQFDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115147
s1c2c(CCCCC2)c(c1NC(=O)Cc1cc(c(OC)cc1)C)C(=O)OCC	PC-id_16848132	401.519	ZQIXSVHHERJFAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115148
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(OC)cc1)C(=O)OCCC	PC-id_5073573	401.519	JRXMAUYUPCSFAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115149
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(OCC)cc1)C(=O)OCC	PC-id_8719743	401.519	YEONLFVQTNZQOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115150
s1c2c(CCCCC2)c(c1NC(=O)C(Oc1ccccc1)CC)C(=O)OCC	PC-id_3535630	401.519	USKULGWPGYIEMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115151
s1c2c(CCCCCC2)c(c1NC(=O)C(Oc1ccccc1)CC)C(=O)OC	PC-id_4253278	401.519	OXLIOIZLCLXZTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115152
s1c2c(C(N(C)C)(COCc3cc(OC)c(OC)c(OC)c3)C=CC=C2)cc1	PC-id_18947204	401.519	HPILATNOBQGWQN-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-115153
CCC(CC)CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1	ChEMBL-DNDi_CHEMBL31454306,CoCoCo_1297019,PC-id_42346915,CoCoCo_1297020,MCULE-2919976229,ZINC22_12002435,EMOLS-id_20517853	401.521	DFPRGAFHBJJCKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115154
N#C/C(=Cc1ccc(s1)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C)/C(=O)O	PC-id_101479150	401.521	NGHCLNBRVQTPTG-BYHMIWLJSA-N	00000010100100000110000000000010000000000000000000000000	31-01-115155
s1c2CCCCCc2nc1NC(=O)c1sc(nc1C)Cc1ccc(F)cc1	PC-id_37679149	401.521	JHUHFAZFBYEAPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115156
c12CN(CCCn1nc(CCC(=O)O)c2)C(=O)CSCc1cc(C)cc(C)c1	ZINC22_72431061,EMOLS-id_43126549,PC-id_56898983,MCULE-9270825210	401.522	NWRVWVQDSVEANL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115157
c1(NC(=O)CCC(=O)Nc2ccc(cc2)OC(C)C)sc2c(CCCCC2)n1	EMOLS-id_334966260,MCULE-1069360193	401.522	ZOSNZVWUFBOHQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115158
c1(NC(=O)CCC(=O)Nc2ccc(cc2)OCCC)sc2c(CCCCC2)n1	EMOLS-id_335018464,MCULE-3649792852	401.522	CYPFIQQDMNCZDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115159
c1(NC(=O)CCC(=O)Nc2ccccc2OC(C)C)sc2c(CCCCC2)n1	MCULE-1228657581,EMOLS-id_334997990	401.522	UCWGHRSCLBFEQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115160
c1(NC(=O)CCC(=O)Nc2cc(C)ccc2OCC)sc2c(CCCCC2)n1	EMOLS-id_335005174,MCULE-3380315454	401.522	NKGXHMGTEXPDIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115162
c1(NC(=O)CCC(=O)Nc2cccc(OC(C)C)c2)sc2c(CCCCC2)n1	EMOLS-id_334990587,MCULE-9871251861	401.522	GENXUXYPJWRLPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115163
c1(NC(=O)CCC(=O)Nc2cccc(OCCC)c2)sc2c(CCCCC2)n1	MCULE-4048173256,EMOLS-id_334986976	401.522	FNCJWWSRJVWACD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115164
c1(NC(=O)CCC(=O)NC(C)c2ccc(cc2)OC)sc2c(CCCCC2)n1	EMOLS-id_335019519,MCULE-1566195449	401.522	XSRLWHZYAVNLSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115165
c1(NC(=O)CCC(=O)NCCc2ccc(OC)cc2)sc2c(CCCCC2)n1	MCULE-9418998938,EMOLS-id_335009249	401.522	JOCXGRQQTQMODN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115166
c1(NC(=O)CCC(=O)N(CCO)Cc2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_334747127,MCULE-1761323926	401.522	UDKBIDGDSOIJIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115167
Cc1cc(NC(=O)C2CCN(C(=O)c3cc4c(s3)CCCCCC4)CC2)no1	MCULE-9693865647,PC-id_51111653,ZINC22_54326062,EMOLS-id_33340155	401.522	SEKMQNBAOFMONC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-115168
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COc1ccc(c(c1)C1CCCN1C(=O)Nc1nc2c(s1)CCCCC2)OC	PC-id_112825148	401.522	HKXAIRPPGCTBNV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-115170
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c1(c2ccccc2n(Cc2ccccc2)c1)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-1103800749	401.524	UHALCTHWXFGXCX-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-115182
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc2c(c1)n(Cc1ccccc1)cc2	MCULE-7958155096,EMOLS-id_323304066	401.524	OJRRZTBDIHAMNE-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-115183
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1	EMOLS-id_323330679,MCULE-5236590729	401.524	NSJQYFSKMMNTDO-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-115184
c1(sc2c(CCCCC2)n1)NC(=O)c1cccc2c1ccn2Cc1ccccc1	EMOLS-id_323326107,MCULE-6238330850	401.524	MDOKJPSGEQPWMU-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-115185
n1(Cc2ccccc2)c2ccccc2cc1C(=O)Nc1sc2c(CCCCC2)n1	MCULE-2434714450,EMOLS-id_323241354	401.524	MEBDTBIZUFDEQH-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-115186
s1c(/N=N/c2c3-c(c(c2)C)cc(C(C)C)ccc3C)[n+]([O-])c(c2ccccc2)c1	PC-id_21583818	401.524	QLOOJJBEIPDENF-OCEACIFDSA-N	00000010100000110111100000000010000000000000000000000000	31-01-115187
CC(C)C(=O)NCCc1nnc2CCN(CCn12)C(=O)CSc1ccccc1	MCULE-6763068155,CoCoCo_1486750,PC-id_42471046,EMOLS-id_20645401,ZINC22_12217393,ChEMBL-DNDi_CHEMBL63434852	401.526	RATUUQWKNUGYPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115188
CCCNc1c(cc(cc1)S(=O)(=O)NC)N=C1CC(C=Nc2c1cc[nH]2)CC	PC-id_137166812	401.526	DXCDXLBIUXJRTD-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-115189
CC(C(=O)Nc1ccc(cc1)N1CCOCC1)Sc1nnc2n1CCCCC2	EMOLS-id_11759653,MCULE-2179571206,PC-id_16325093	401.526	AIJKEMBDBIUPJQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115190
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc(N2CCOCC2)cc1	CoCoCo_3081902,PC-id_7877176,ZINC22_6097840	401.526	AIJKEMBDBIUPJQ-HNNXBMFYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115191
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc(N2CCOCC2)cc1	ZINC22_6097843,CoCoCo_3081901,PC-id_7877178	401.526	AIJKEMBDBIUPJQ-OAHLLOKOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115192
CNC(=O)c1ccc([C@@H]2CCCN2C(=O)CCc2cc3n(n2)CCCNC3)s1	ZINC22_72434212,PC-id_95874264	401.526	GQOPCOAXGUBNDW-INIZCTEOSA-N	00000010100100000101100000000010000000000000000000000000	31-01-115193
CNC(=O)c1ccc([C@H]2CCCN2C(=O)CCc2cc3n(n2)CCCNC3)s1	ZINC22_72434213,PC-id_95874265	401.526	GQOPCOAXGUBNDW-MRXNPFEDSA-N	00000010100100000101100000000010000000000000000000000000	31-01-115194
CNC(=O)c1ccc(s1)C1CCCN1C(=O)CCc1cc2CNCCCn2n1	PC-id_70747916,EMOLS-id_43131253,MCULE-9416789913	401.526	GQOPCOAXGUBNDW-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-115195
CSCCC(C(=O)NCc1nnc2n1CCCCC2)NC(=O)c1ccccc1	EMOLS-id_25644876,MCULE-5666452316,PC-id_42922798	401.526	OTAKHLJMRCTDDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115196
CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1nnc2n1CCCCC2	CoCoCo_4336651,ZINC22_32841620,PC-id_40075478	401.526	OTAKHLJMRCTDDW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115197
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCc1nnc2n1CCCCC2	CoCoCo_4336652,ZINC22_32841619,PC-id_40075477	401.526	OTAKHLJMRCTDDW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115198
n1c(CNC(=O)CC2C(=O)NCCN2Cc2cccs2)c2c(CCCCC2)[nH]1	PC-id_45220721,MCULE-8098468597,EMOLS-id_20617593	401.526	FSEWRFDZADKSJI-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-115199
o1c([C@H]([NH+]2CCCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52270210	401.526	DZBSSMMRACUJCM-QGZVFWFLSA-O	00000000101010000101000000000010000000000000000000000000	31-01-115200
o1c([C@@H]([NH+]2CCCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52270212	401.526	DZBSSMMRACUJCM-KRWDZBQOSA-O	00000000101010000101000000000010000000000000000000000000	31-01-115201
o1c(C([NH+]2CCCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_75817594	401.526	DZBSSMMRACUJCM-UHFFFAOYSA-O	00000000101010000101000000000010000000000000000000000000	31-01-115202
O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCc1n[nH]c2c1CCCCC2	CoCoCo_1444496,CoCoCo_1444494,ZINC22_55245054,CoCoCo_1444492,PC-id_42512341,CoCoCo_1444490	401.526	FSEWRFDZADKSJI-GOSISDBHSA-N	00000000100110000101000000000010000000000000000000000000	31-01-115203
O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCc1n[nH]c2c1CCCCC2	ZINC22_55245052,CoCoCo_1444489,CoCoCo_1444493,CoCoCo_1444495,PC-id_42512339,CoCoCo_1444491	401.526	FSEWRFDZADKSJI-SFHVURJKSA-N	00000000100110000101000000000010000000000000000000000000	31-01-115204
s1c2CCCCCc2c(c1NC(=O)CSc1nc(CCC)cc([O-])n1)C#N	PC-id_26860749	401.526	OWQNAVGRYHRFBZ-UHFFFAOYSA-M	00000000100000100101000000000010000000000000000000000000	31-01-115205
S1CCN(CC1)c1ccc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55854688	401.526	YVFOFTCHQNCOFW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115206
S1CCN(CC1)Cc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56211200	401.526	VACVWLYWGQAKNR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115207
S1CCN(CC1)Cc1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_56210907	401.526	PADKFFJFBQBNDB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115208
S(c1n2CCCCCc2nn1)CC(=O)N1CCN(CC1)c1ccc(OC)cc1	PC-id_7877344	401.526	SBHOMEOFKLLYHJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115209
S(c1n2CCCCCc2nn1)CC(=O)N1CCN(CC1)c1c(OC)cccc1	PC-id_8332790	401.526	MTURWSKDKGOTGU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115210
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(CN2CCOCC2)cc1	PC-id_8379482	401.526	KMRSGIBABQWXFV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115211
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1	PC-id_7877560	401.526	URROFJQUOUQLIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115212
S(c1n2CCCCCc2nn1)C(C(=O)N(CC(=O)Nc1ccc(cc1)C)C)C	PC-id_78559216	401.526	HJIOXMMMMQRTFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115213
S(c1n2CCCCCc2nn1)C(C(=O)NCC(=O)Nc1c(cccc1C)C)C	PC-id_78559304	401.526	WDWPRSQYDCXPSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115214
S(c1n2CCCCCc2nn1)CC(=O)N(CC(=O)Nc1c(ccc(c1)C)C)C	PC-id_7876580	401.526	NFWZJKVPAWLYDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115215
S(c1n2CCCCCc2nn1)CC(=O)N(CC(=O)Nc1c(cccc1C)C)C	PC-id_8379217	401.526	DTDSBPCCGQBXPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115216
S(c1n2CCCCCc2nn1)CC(=O)N(CC(=O)Nc1c(CC)cccc1)C	PC-id_7877548	401.526	SPRGLLABZBSMJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115217
S(c1n2CCCCCc2nn1)[C@@H](C(=O)N(CC(=O)Nc1ccc(cc1)C)C)C	PC-id_7876729	401.526	HJIOXMMMMQRTFC-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115218
S(c1n2CCCCCc2nn1)[C@H](C(=O)N(CC(=O)Nc1ccc(cc1)C)C)C	PC-id_7876730	401.526	HJIOXMMMMQRTFC-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115219
S(c1n2CCCCCc2nn1)[C@@H](C(=O)NCC(=O)Nc1c(cccc1C)C)C	PC-id_7877565	401.526	WDWPRSQYDCXPSH-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115220
S(c1n2CCCCCc2nn1)[C@H](C(=O)NCC(=O)Nc1c(cccc1C)C)C	PC-id_7877566	401.526	WDWPRSQYDCXPSH-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115221
S=c1n2c(nn1CN1CCN(CC1)Cc1cc3OCOc3cc1)CCCCC2	PC-id_30743668	401.526	BEBVUZUVIPXWKN-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-115222
S(CC(=O)NCCc1n2CCCCCc2nn1)CC(=O)Nc1cc(ccc1)C	PC-id_55535233	401.526	WSHDRYZAVSSVIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115223
S(=O)(=O)(NCc1n2CCN(CC3CCC=CC3)CCc2nn1)c1ccccc1	PC-id_45166472	401.526	BXENLRLHQXOLDC-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-115224
c1ccc(cc1)Cc1nnc2n1CCN(CC2)Cc1cnc(s1)c1ccccc1	ChEMBL-DNDi_CHEMBL96320883,PC-id_42423475	401.527	BSMRPIGTFHDDRK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115225
c1ccc(cc1)Cc1nnc2n1CCN(CC2)Cc1scc(n1)c1ccccc1	ChEMBL-DNDi_CHEMBL26270521	401.527	FXOYRPLZFVUDBP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115226
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCCCC1	BindingDB-id_731716,BindingDB_PC-id_121358880,SCHEMBL17777953,PC-id_121358880	401.542	SRMGLNJGFMDZEY-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-115227
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+]C(c1ccccc1)C)C(=O)OCC	PC-id_78432869	401.542	DPILAFSUGRBIOW-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-115228
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+][C@H](c1ccccc1)C)C(=O)OCC	PC-id_6974362	401.542	DPILAFSUGRBIOW-HNNXBMFYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-115229
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+][C@@H](c1ccccc1)C)C(=O)OCC	PC-id_6974363	401.542	DPILAFSUGRBIOW-OAHLLOKOSA-O	00000000100000110100000000000010000000000000000000000000	31-01-115230
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(CC(CC)CC)CCn12	MCULE-6408247064,EMOLS-id_20420297,PC-id_45175124	401.546	QTUIYUGOEDPHQE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-115231
c1(NC(=S)NC(=O)c2cc(C)cc(C)c2)sc2c(CCCCC2)c1C(=O)N	MCULE-6017772386,ZINC22_2845469,PC-id_2200078,CoCoCo_970966,EMOLS-id_1775018	401.546	OCUPNXSWWXWSMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115232
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2cccc(SC)c2)C1	MCULE-1535023804,EMOLS-id_323410599	401.546	ONGFKPAANOVZKM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-115233
Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1C	ZINC22_32125284,PC-id_20166112	401.546	DEMKKCAAHOSFRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115234
Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)c(C)c1	PC-id_3927561,ZINC22_5345720	401.546	GBJLLUVWEUPUKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115235
CCc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	PC-id_20166114,ZINC22_6956735	401.546	KDQOOGLIUPINAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115236
CCC(CC)CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1	CoCoCo_1159222,CoCoCo_1159221,ZINC22_12165485	401.546	QTUIYUGOEDPHQE-GOSISDBHSA-N	00000000101000000101000000000010000000000000000000000000	31-01-115237
CCC(CC)CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1	CoCoCo_1159223,CoCoCo_1159224,ZINC22_12165490	401.546	QTUIYUGOEDPHQE-SFHVURJKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-115238
CC(C)(C)C(C(=O)NC)N(C1CCC=CC1)C(=O)c1c2CN(CCCn2cn1)C	PC-id_91265458	401.546	TXOMOICVMOMYOC-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-115239
CC(=NNC(=O)c1c(NC(=O)C=Cc2cccs2)sc2c1CCCCC2)C	PC-id_92046533	401.546	PBGUWXZLUNYNSS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-115240
CNC(=O)C(C(C)(C)C)N(C(=O)c1ncn2c1CN(C)CCC2)[C@H]1CCC=CC1	PC-id_66932155,SCHEMBL1175300	401.546	TXOMOICVMOMYOC-VTBWFHPJSA-N	00000000100011000101000000000010000000000000000000000000	31-01-115241
O=C(CSc1ccccc1C(=O)Nc1nc2c(s1)CCCCC2)NC1CC1	ZINC22_24831751,PC-id_32149162,CoCoCo_4628128,MCULE-4432447336,EMOLS-id_18862670	401.546	XKLRFNZTRLVOEE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-115242
S1CC(N(C1)C(=O)c1ccccc1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56020958	401.546	YBUNBQTZQHGNKM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-115243
c1ccc(CCc2nnc3n2CCN(Cc2ccc(N4CCCC4)cc2)CC3)cc1	ZINC22_12219020,MCULE-4832889852,CoCoCo_1496430,CoCoCo_1496431,EMOLS-id_20651749,PC-id_42472773	401.547	PNCLCUPDKJZTSG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-115244
CCNC/C(=C/C=C/C/1=N/Cn2nc(cc2/N=CC/C=C1/C(=C/C=C)/C=C)C)/C=C	PC-id_144053282	401.547	MYTHFGUUYGSGMJ-MXUHSZDRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-115245
CN(c1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2CCc1ccccc1)C	CoCoCo_1584102,CoCoCo_1584100	401.547	ANPFMFOWQIPSPK-TWGQIWQCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115246
CN(C)c1ccc(/C=C/CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1	CoCoCo_1584103,PC-id_26345269,CoCoCo_1584101,ChEMBL-DNDi_CHEMBL84300701,EMOLS-id_26020555,ZINC22_14990521	401.547	ANPFMFOWQIPSPK-RMKNXTFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115247
n12CCN(CCc1nnc2CCc1ccccc1)CC=Cc1ccc(cc1)N(C)C	PC-id_74498854,MCULE-2440371310	401.547	ANPFMFOWQIPSPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115248
c1(NC(=O)CSc2nnc(C3CC3)n2CC)sc2c(CCCCC2)c1C#N	EMOLS-id_4080414,TIMTEC402965,ZINC22_17082277,MCULE-6469050683,PC-id_17378083,CoCoCo_6825413	401.549	QJHIKQAVTMJEON-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-115249
CC(c1nn(c(c1CNCCc1nnc2n1CCCCC2)N1CCOCC1)C)C	PC-id_86885010	401.549	XOVUVLNLKMOFLG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-115250
C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc2n1CCCCC2	PC-id_8211666,CoCoCo_4013252,ZINC22_7081579	401.549	UUWQDHISXDDFNX-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115251
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc2n1CCCCC2	ZINC22_7081575,CoCoCo_4013253,PC-id_8211662	401.549	UUWQDHISXDDFNX-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115252
CCNC(=NCc1c(CC)onc1CC)NCCCc1nnc2n1CCCCC2	PC-id_109589853	401.549	XFVNYBDYPVQDAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115253
CCNC(=NCc1ncc(o1)C(C)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111594212	401.549	QTUJOTPJSZBRIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115254
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)C(=O)C1CCCC1	PC-id_109824191	401.549	MWVPLLXTQHOZKB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-115255
CCNC(=NCc1onc(c1)C(CC)CC)NCCc1nnc2n1CCCCC2	PC-id_111674752	401.549	TZOBOIBXJNROTN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115256
CN(C(c1nc2c(s1)cccc2)C)C(=O)CSc1nnc2n1CCCCC2	PC-id_16382972,EMOLS-id_11848701,MCULE-5800162051	401.549	UUWQDHISXDDFNX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115257
CN=C(NC1CCN(C1)C(=O)C1CCCC1)NCCc1nnc2n1CCCCC2	PC-id_109824223	401.549	SAPNYVFQQSBYDT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-115258
CN=C(NC1CCN(C1)C(=O)C1CCCCC1)NCc1nnc2n1CCCCC2	PC-id_109797194	401.549	VKFOOUPNZRQTNG-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-115259
CN=C(NCc1onc(c1)C(CC)CC)NCCCc1nnc2n1CCCCC2	PC-id_111675768	401.549	NAKJRFACPGRETN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115260
N#Cc1c(NC(=O)CSc2nnc3n2CCCCC3)sc2c1CCCCC2	EMOLS-id_43775486,PC-id_29513298,MCULE-7648443431,ZINC22_21465073	401.549	WUQYASLPJKGENX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115261
s1c2CC(CCc2c(c1NC(=O)CSc1n2CCCCCc2nn1)C#N)C	PC-id_78559230	401.549	BHWRAZZUAYZMCF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-115262
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1n(CC=C)c(nn1)C)C)C#N	PC-id_8287828	401.549	LIQJSFZZPDKMJF-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115263
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1n(CC=C)c(nn1)C)C)C#N	PC-id_8287829	401.549	LIQJSFZZPDKMJF-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115264
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1n(c(nn1)C1CC1)C)C)C#N	PC-id_8288250	401.549	LTWIPBIVDOTWOO-NSHDSACASA-N	00100000100000000101100000000010000000000000000000000000	31-01-115265
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1n(c(nn1)C1CC1)C)C)C#N	PC-id_8288251	401.549	LTWIPBIVDOTWOO-LLVKDONJSA-N	00100000100000000101100000000010000000000000000000000000	31-01-115266
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(CC=C)c(nn1)C)C)C#N	PC-id_43014456	401.549	LIQJSFZZPDKMJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115267
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(c(nn1)C1CC1)C)C)C#N	PC-id_78655369	401.549	LTWIPBIVDOTWOO-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-115268
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)CC)CC=C)C#N	PC-id_19716578	401.549	AALNFSRFLGZDQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115269
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC=C)c(nn1)C)C#N	PC-id_19715842	401.549	MEXJAONQHWFSEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115270
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C1CC1)C)C#N	PC-id_19726729	401.549	JURBXXWRPQSAJX-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-115271
s1c2C[C@@H](CCc2c(c1NC(=O)CSc1n2CCCCCc2nn1)C#N)C	PC-id_7876875	401.549	BHWRAZZUAYZMCF-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-115272
s1c2C[C@H](CCc2c(c1NC(=O)CSc1n2CCCCCc2nn1)C#N)C	PC-id_7876877	401.549	BHWRAZZUAYZMCF-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-115273
S(c1n(C2CC2)c(nn1)C)C(C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_84884298	401.549	LPSMRMMGYMZCAT-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-115274
S(c1n(C2CC2)c(nn1)C)[C@H](C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_8959748	401.549	LPSMRMMGYMZCAT-NSHDSACASA-N	00100000100000000101100000000010000000000000000000000000	31-01-115275
S(c1n(C2CC2)c(nn1)C)[C@@H](C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_8959749	401.549	LPSMRMMGYMZCAT-LLVKDONJSA-N	00100000100000000101100000000010000000000000000000000000	31-01-115276
CCCCc1cc2n(c1C(=O)c1sccc1C)CCCCC2C(=O)OC(C)C	SCHEMBL11197224,PC-id_20483784	401.562	LBQZMUKDZVNEOL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-115277
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1ccc(OC)cc1	PC-id_30376860	401.565	SZCIETJDBIKVRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115278
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1cc(OC)ccc1	PC-id_30376865	401.565	LMPODTPLENRDCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115279
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1c(OC)cccc1	PC-id_30376855	401.565	CDMKMOZNWPOOMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115280
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(cc3)SC)CCn12	EMOLS-id_20564821,PC-id_45208331,MCULE-6361307511	401.569	JKYYYMLRJHSKIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115281
Cc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)s1	MCULE-7065513592,CoCoCo_1174323,PC-id_28390222,EMOLS-id_20431249,CoCoCo_1174324,ZINC22_19836805	401.569	XGIHJVPAIVBTAW-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-115282
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(SC)cc1)CC2)C(C)C	CoCoCo_1365556,CoCoCo_1365557,ZINC22_12283326	401.569	JKYYYMLRJHSKIT-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115283
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(SC)cc1)CC2)C(C)C	ZINC22_12283328,CoCoCo_1365554,CoCoCo_1365555	401.569	JKYYYMLRJHSKIT-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115284
CSCCCN1CCc2n(CC1)c(nn2)C(NC(=O)CCc1ccccc1)C	ChEMBL-DNDi_CHEMBL34323224	401.569	ADFNUKLQWUBGBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115285
s1c2CCCCCc2nc1NC(=O)c1c(SCc2ncsc2)cccc1	PC-id_45778792	401.569	SOKOWLHUYYJLFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115286
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(CC1)c1cccs1	PC-id_109654217	401.572	YPPMNFNBDZSRDR-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-115287
CN=C(N1CCN(CC1)c1cccs1)NCCCc1nnc2n1CCCCC2	PC-id_109720035	401.572	YEUOUUVAIOLYGJ-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-115288
CN=C(NC1CCN(CC1)c1cccs1)NCCc1nnc2n1CCCCC2	PC-id_109654249	401.572	IRQIMTWGPGJOMB-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-115289
CN=C(NCc1nnc2n1CCCCC2)NCC(c1cccs1)N1CCCC1	PC-id_111012567	401.572	VJMGDVAQGDOZNO-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-115290
COc1cccc(c1)CN1CCCC(=O)c2c1nn(c2)COCC[Si](C)(C)C	SCHEMBL369560,PC-id_66668643	401.575	ZMRRMRACJUEQFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115291
CCCCn1c(C)c2c(c1C)C=CC(=C/C=C/c1sc3ccccc3[n+]1C)C=C2	ZINC22_685944204	401.587	AFSKGJSGHJZXLG-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-115292
n12c(nnc1CCCCCC2)C(CCCCCC)(c1ccccc1)c1ccccc1	PC-id_60093424	401.587	NUNNYMYWGKUMDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115293
c1(C(C)NC(=O)C(C)C)nnc2CCN(CCC3=C(CCCC3(C)C)C)CCn12	PC-id_45171915,MCULE-7799723927,EMOLS-id_20406578	401.589	JHNXZDPRHOVKEL-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-115294
CC1=C(CCN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)C(C)(C)CCC1	CoCoCo_1140542,CoCoCo_1140543,ZINC22_12054349,PC-id_42380766	401.589	JHNXZDPRHOVKEL-GOSISDBHSA-N	00000000100011000101000000000010000000000000000000000000	31-01-115295
CC1=C(CCN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)C(C)(C)CCC1	CoCoCo_1140545,PC-id_42380763,ZINC22_12054347,CoCoCo_1140544	401.589	JHNXZDPRHOVKEL-SFHVURJKSA-N	00000000100011000101000000000010000000000000000000000000	31-01-115296
s1c2CCCCCc2c(c1NC(=O)CNC(C(C)(C)C)c1sccc1)C#N	PC-id_55860137	401.589	RQLMPRKDRUBLEB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-115297
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)CN1CCCC1	PC-id_112082539	401.592	OJZODEMJFNGARG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-115298
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)CC(=C)C	PC-id_112080009	401.592	CFNJSZFLADZVCH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-115299
CN=C(N1CCC(C1)CN1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_112082981	401.592	KJPZUYYBBKDOGJ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-115300
CN=C(NC1CCN(C1)CC1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_112082017	401.592	BWXVVFILAXLOEE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-115301
CN=C(NC1CCN(CC1)C1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_112076794	401.592	FXDHHGKPSGDRGD-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-115302
CN=C(NCC1(CCCCC1)N1CCCCC1)NCc1nnc2n1CCCCC2	PC-id_111292471	401.592	JYOJTLHCLCJOFA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-115303
[O-]OC(N(C(C)(C)C)[O])c1c2-c(c(c1[Si](C(C)(C)C)(C)C)CC)ccccc2	PC-id_140655876	401.614	KORHNIIOQLNLOM-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-115304
c12SC/C(=NNC(=S)Nc3ccccc3)/CSc1sc(=S)s2	ZINC22_4182297,PC-id_6618631,MCULE-8305186221,CoCoCo_1949935,EMOLS-id_9985749,TIMTEC605478	401.637	ZVGYLFJGUNVASP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115305
S1CC(=CSc2sc(=S)sc12)NNC(=S)Nc1ccccc1	PC-id_4225136	401.637	DFODTPSULAQVTQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115306
BrC1CCCc2nc(sc2C1=O)Nc1c(OC)ccc(Cl)c1	SCHEMBL3794397,PC-id_25130496	401.706	PLCCALOOWOHDDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115307
C1CN(Cc2cc(nn2C1)C=O)C(=O)OCc1cc(cc(c1)Cl)C(F)(F)F	PC-id_90460547,SCHEMBL16099784	401.768	WLQHZTVPRLRWHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115308
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)Nc2ccc(c(Cl)c2)OC)n1	CoCoCo_577599,PC-id_2242183,TIMTEC67730,MCULE-8004865616,ZINC22_2890053,EMOLS-id_2523936	401.811	AZKMECJZBOOLFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115309
CC1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1F)Cl)F)C	PC-id_139462828,SCHEMBL21327965	401.815	WQUMLNGTLXOHOW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115310
C=C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1F)Cl)F)C	PC-id_145221704	401.815	QPRNBFOVJQFWIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115311
C[C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1F)Cl)F)C	SCHEMBL18352822	401.815	WQUMLNGTLXOHOW-QMMMGPOBSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115312
CN1C=Cc2c(S(=O)(=O)C1)cn(c2C(=O)Nc1ccc(c(c1F)Cl)F)C	PC-id_139462827,SCHEMBL21327963	401.815	CBKMTXLLGACISI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115313
c1(C(=O)c2ccc(cc2)Cl)c2CCCCCc2sc1NC(=O)C(F)(F)F	MCULE-3006373446,ZINC22_71471625,PC-id_11502242,SCHEMBL4148996,EMOLS-id_45977724	401.83	NYYFNQHPASGFQP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115314
Clc1cccc(c1)C(=O)c1c(sc2c1CCCCC2)NC(=O)C(F)(F)F	PC-id_11589439,SCHEMBL4140504	401.83	ZTIHXIKNNSNFKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115315
COc1ccc(cc1)Oc1nc2c(n1Cc1ccc(cc1)Cl)COOCN2C	SCHEMBL16363990,PC-id_117793979	401.843	SQWRBSGWEIZBCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115316
c12C(=O)NCC(O)Cn1nc(C(=O)NCCc1c3cc(Cl)ccc3[nH]c1C)c2	MCULE-6920816614,PC-id_119060748,EMOLS-id_82705701	401.847	CMZLDRQNPHGRSL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-115317
Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426401610	401.847	CMZLDRQNPHGRSL-GFCCVEGCSA-N	00000000100000100101000001100010000000000000000000000000	31-01-115318
Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426401616	401.847	CMZLDRQNPHGRSL-LBPRGKRZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-115319
Cl/C=C/C=C/1C(=C/C)Nc2c(CN1C(=O)c1ccc(c(c1)F)CN)cnn2C	PC-id_143189044	401.865	MZVQBNAIFPJUOC-MIXUCPIGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115320
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1ccc(c(c1)Cl)C)C	SCHEMBL19702851	401.887	SUCPNTZOBSTJDB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115321
[O-][N+](=O)c1cc(cc(c1C)Cl)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807963	401.888	PQCFKKBAAUCXKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115322
Clc1ccc(c2nc(sc2CC(=O)[O-])Cc2n3CCCCCc3nn2)cc1	PC-id_40794410,GD-id_ZINC08718154	401.89	OSWDQZHWWIZUEH-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-115323
Clc1ccc(N2CCC(C2=O)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_60569074	401.89	QXQNCCYCGVCXIR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-115324
Clc1cc(N2CCCC2=O)c(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55555210	401.89	IMIFRUSTLJEBBY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-115325
Clc1c(N2CC(CC2=O)C(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_60389616	401.89	INCOJMHYVJOOGU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-115326
C=CC(C=C/C=C(/c1n(Cc2ccc(c(c2)F)O)nc2c1CCNCC2)C)Cl	PC-id_143040746	401.905	LNEYIKHMLJMLFQ-DERRZNSPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115327
Clc1n(nc(c1S(=O)(=O)NN=C([O-])c1sc2CCCCCc2c1)C)C	PC-id_52258155	401.911	NRHRWGLLUZBVJM-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-115328
Cc1nn(c(c1)C)c1ccc(c(n1)C(=O)Nc1nc2c(s1)CCCCC2)Cl	PC-id_112808241	401.913	DVHMHSFZSJWIFQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-115329
Clc1ccc(c2scc(n2)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55536099	401.913	CYAGFZMAGUDQEA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115330
Clc1ccc(N(C(=O)NC2CCCCC2)Cc2n3CCCCCc3nn2)cc1	PC-id_7565934	401.933	XUSYROJPOCAFGD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115331
Clc1cc(N(C(=O)NC2CCCCC2)Cc2n3CCCCCc3nn2)ccc1	PC-id_7565859	401.933	ABCPAGIKZFZBKV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115332
Clc1c(N(C(=O)NC2CCCCC2)Cc2n3CCCCCc3nn2)cccc1	PC-id_7565983	401.933	PRMPMMCPCAPULO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115333
Clc1ccc(cc1)N1CCN(CC1)C(=NCCc1nnc2n1CCCCC2)N	PC-id_111039201	401.936	YGZIXLSWUWWGCW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115334
CN=C(N1CCN(CC1)c1ccccc1Cl)NCc1nnc2n1CCCCC2	PC-id_111177680	401.936	SIKOCTONSQETMC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115335
CN=C(N1CCN(CC1)c1cccc(c1)Cl)NCc1nnc2n1CCCCC2	PC-id_111186713	401.936	DGVNYQUKIIAODC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115336
CN=C(NC1CCN(C1)c1cccc(c1)Cl)NCc1nnc2n1CCCCC2	PC-id_109462646	401.936	GFAWJLCBHIVNIZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-115337
CCC(C1CCCCc2c1n(c(n2)C(C)(C)C)Cc1ccc(cc1)Cl)C(=O)[O-]	PC-id_86658175	401.949	MLGDNLIFMQLUTR-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-115338
CC#C[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155257967	402.08	XITRFPTUNDVEBQ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115339
CC#C[C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155257968	402.08	XITRFPTUNDVEBQ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115340
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2=O)C(C#C)O	PC-id_154682015	402.08	JLJXZFSAENZOJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115341
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)CC#C	PC-id_154682147	402.08	VMRQRKVSFKDNMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115342
Brc1sc(Br)c2OCC(COc12)(COC)COC	SCHEMBL12144204,PC-id_70673030	402.099	KWUYVLRRVZHKGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115343
Brc1sc(Br)c2OCC(COc12)COCCOC	SCHEMBL14748829,PC-id_71287000	402.099	XMDBJBGKZFTWDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115344
CC(=O)NC1=NC2=C(S1)C(=O)C(=C(C3=CN=C(C=C3)N(C)C(=O)O)O)CCC2	PC-id_154461407,PC-id_87142421	402.1	RWBMXDHDSNHEPK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115345
CC1(CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_155061948	402.116	IZHWNOBLNSDGIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115346
C[C@@]1(CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_155062041	402.116	IZHWNOBLNSDGIA-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-115347
C[C@]1(CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_155062046	402.116	IZHWNOBLNSDGIA-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115348
C[C@@]1(COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)CC=C	PC-id_154682011	402.116	IDWLZSBMWRSSPE-ZAFBDEJNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115349
CCC1(COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_154682337	402.116	QULKCLKOTCSYEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115350
CC(C=C)C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682338	402.116	VLSFYUZGIAJSEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115351
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CCC(ONS2)C(C=C)O	PC-id_154682146	402.116	BVXJYDDSNOWWDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115352
CC[NH2+]C1=NC=C(C=C1)C(=O)C2CCCC3=C(C2=O)SC(=N3)NC(=O)N(C)C	PC-id_147859697	402.159	HWLAKXHSBKMCLA-UHFFFAOYSA-O	00000000100000101101000000000010000000000000000000000000	31-01-115353
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCCOC(=O)C3=CCN=C3	PC-id_155203631	402.227	PGEGMXMAZBCDAJ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-115354
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CCC(=N3)C	PC-id_155203875	402.227	WSIMEWGHWLOHKF-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-115355
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC(=NC3)C	PC-id_155203712	402.227	YDJSJYJNIRFPGN-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-115356
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CN(C=C3)C	PC-id_155203870	402.227	DCWBSDPVCXTCQH-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-115357
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)CC3=CC=CN3C	PC-id_155203590	402.227	VTNJEUIEASVQRF-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-115358
COC(=O)c1cc(ccc1N)C(=O)c1nc(c2n1C=CC(C=C2)C)Br	PC-id_144309746	402.242	CALWYWCGBMTFNK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115359
CCCc1c([nH]c2=CC=C(C(C=c12)(C)PI)C)C(N)C	PC-id_143326403	402.253	AEGRCAKXFLDYCC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-115360
CC1CCN(CC1)CC2(CCCC2)CNC(=O)C3=CC4=C(S3)CCCCCC4	PC-id_160821042	402.27	CXEPURMMNJACRR-UHFFFAOYSA-N	00000010100010000100000000000010000000000000000000000000	31-01-115361
FC(C(C(C(F)(F)F)(F)F)(F)F)(CCC1COc2c(OC1)csc2)F	PC-id_102531173	402.276	FGJBKHDQXZYFOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115362
Brc1ccc(cc1)S(=O)(=O)Nc1nc2CCCNC(=O)c2s1	EMOLS-id_48619080,ZINC22_96124417,MCULE-7152500490,PC-id_71811036	402.287	XJWRBFAQZNOFHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115363
Brc1c([nH]c2c1cccc2)C(=O)NCCc1n2CCCCCc2nn1	PC-id_55910722	402.288	CHRKPTJTGVSMEC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-115364
FC(Oc1cccc(c1)c1cnn(c1)Cc1nn2cc1oc(=O)ccc(=O)o2)F	PC-id_140810655	402.308	PYFAJLXXBXEKNN-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-115365
Brc1n2c(CN(CCC2)C)c(n1)C(=O)NC(C(C)(C)C)C(O)NC	PC-id_77921976	402.33	RDZICYYYZSYWFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115366
Brc1n2c(CN(CCC2)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(O)NC	SCHEMBL12883003,PC-id_70792999	402.33	RDZICYYYZSYWFQ-PUODRLBUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115367
s1c2CCCCCCc2c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C#N	PC-id_5008120	402.33	JBDJULGRPQDRTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-115368
Brc1c2C(CN(CCc2sc1C(=O)C(C)(C)C)C(=O)OCC)C	SCHEMBL1181275,PC-id_66934075	402.346	VURMYISZNCVHSO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-115369
C1CC(Nc2ncc(n2C1)C(F)(F)F)C(=O)C[C@@H](Cc1c(ccc(c1)F)F)N	PC-id_136334509,SCHEMBL3837622	402.362	VXNKOFXUGINIEA-PUODRLBUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115370
C[C@@]1(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)CC1(Cl)Cl	CoCoCo_3778129,ZINC22_3257073,PC-id_2373737	402.362	ADAJLEITRCFYCX-HNNXBMFYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-115371
C[C@]1(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)CC1(Cl)Cl	PC-id_2373740,CoCoCo_3778128,ZINC22_3257075	402.362	ADAJLEITRCFYCX-OAHLLOKOSA-N	00100000100000000100000000000010000000000000000000000000	31-01-115372
ClC1(Cl)C(C1)(C)C(=O)NC(=S)Nc1sc2c(CCCCC2)c1C#N	PC-id_3321898,EMOLS-id_48981917,MCULE-7465848508	402.362	ADAJLEITRCFYCX-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-115373
FC(F)(F)c1n2CCCN(Cc2nc1)C(=O)C[C@H](N)Cc1c(F)ccc(F)c1	SCHEMBL3842519,PC-id_11406970	402.362	QDXWYUXEWOBPHB-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115374
FC(F)(F)c1n2CCCN(Cc2nc1)C(=O)CC(N)Cc1c(F)ccc(F)c1	PC-id_68918659,SCHEMBL4116728	402.362	QDXWYUXEWOBPHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115375
FC(F)(F)c1n2NCCC(Cc2nc1)C(=O)C[C@H](N)Cc1c(F)ccc(F)c1	SCHEMBL3837621,PC-id_68809010	402.362	GHWADAGQVYNSFT-JLOHTSLTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115376
FC(F)(F)c1n2NCCC(Cc2nc1)C(=O)CC(N)Cc1c(F)ccc(F)c1	PC-id_77557533	402.362	GHWADAGQVYNSFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115377
FC(F)(F)c1nc2n(CCCN(C2)C(=O)C[C@H](N)Cc2c(F)ccc(F)c2)c1	PC-id_57755481,SCHEMBL8297596	402.362	MSBOWBWULRHIDD-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115378
N[C@@H](CC(=O)N1CCn2c(CC1)nc(c2)C(F)(F)F)Cc1ccc(c(c1)F)F	PC-id_143120673	402.362	YBVZKHNRCHZYKM-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115379
CN(c1nc2c([nH]1)C=CCC(=C2)Oc1ccnc(c1)c1ncc([nH]1)C(F)(F)F)C	SCHEMBL20376323,PC-id_135220145	402.373	HAIOZKNCXSQPMO-UHFFFAOYSA-N	00000000100000101111100000000010000000000000000000000000	31-01-115380
CC1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)(F)F)C	SCHEMBL21327955,PC-id_139462819	402.391	ASLILWOWMNRNSI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115381
C[C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(Nc1ccnc(c1)C(F)(F)F)O)C	SCHEMBL21337395,PC-id_139471398	402.391	HQIOQFXGNUEOFA-HJULIUOESA-N	00000000100000101111000000000010000000000000000000000000	31-01-115382
C[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)(F)F)C	SCHEMBL18353517	402.391	ASLILWOWMNRNSI-VIFPVBQESA-N	00000000100000101101000000000010000000000000000000000000	31-01-115383
CN1CCc2c(S(=O)(=O)C1)cn(c2C(=O)Nc1ccnc(c1)C(F)(F)F)C	SCHEMBL21327953,PC-id_139462817	402.391	BRFFEPUUXZHVTA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115384
Fc1c(N(C(=O)Cn2nc3n(CCCCC3)c2=O)Cc2occc2)ccc(F)c1	PC-id_55888721	402.395	RDDZTWAETWMRFK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-115385
CCOC(=O)c1c2-c(c(c1NC(=O)C)C(=O)OCC)ccc(cc2)CC(=O)NO	PC-id_141580594	402.398	WJQXCTPOKFSWNC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-115386
O=C1C(CCn2c(N1C)ncc2)NC(c1ccn(n1)Cc1ccc(c(c1)F)F)O	SCHEMBL19659198	402.398	RSWOOSKYLDZFBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115387
O=c1n2CCCCCc2nn1CC(=O)Nc1c(ccc(c1)C(=O)OC)C(=O)OC	PC-id_55477820	402.401	BUFIFMDTBPPOPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115388
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N1CCN(CC1)C(=O)OCC	PC-id_19527733	402.411	BJLLEWWQHHSSJT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-115389
Fc1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3occc3)CC2)c(F)ccc1	PC-id_42361019	402.418	LWRPQHUVQMDSHV-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-115390
Fc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)ccc(F)c1	PC-id_42248089	402.418	YKSFYOIDXKGJIJ-CYBMUJFWSA-O	00000000101000110101000000000010000000000000000000000000	31-01-115391
Fc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)ccc(F)c1	PC-id_42248090	402.418	YKSFYOIDXKGJIJ-ZDUSSCGKSA-O	00000000101000110101000000000010000000000000000000000000	31-01-115392
Fc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)ccc(F)c1	PC-id_74786039	402.418	YKSFYOIDXKGJIJ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-115393
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2occc2)C)cc(F)cc1	PC-id_74780614	402.418	VAAUUPNQQYPVJV-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-115394
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2occc2)C)cc(F)cc1	PC-id_42168325	402.418	VAAUUPNQQYPVJV-CYBMUJFWSA-O	00000000101000110101000000000010000000000000000000000000	31-01-115395
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2occc2)C)cc(F)cc1	PC-id_42168326	402.418	VAAUUPNQQYPVJV-ZDUSSCGKSA-O	00000000101000110101000000000010000000000000000000000000	31-01-115396
O=C(c1ccco1)NCCc1nnc2n1CC[N@H+](CC2)Cc1ccc(c(c1)F)F	GD-id_ZINC12025539	402.418	CXBJRLHBCPLLAP-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-115397
c12C(=O)N(CCCn1nc(C(=O)NCC1COCCO1)c2)Cc1ccc(cc1)F	PC-id_53007950,MCULE-7384879110,EMOLS-id_32632868	402.419	MVZNQXOULQCPLP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115398
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)O)CC)cc1	PC-id_46049191	402.419	JRDQMTSCSNYBGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115399
O=C(c1cc2n(n1)CCCN(C2=O)Cc1ccc(cc1)F)NC[C@H]1OCCOC1	PC-id_93069183	402.419	MVZNQXOULQCPLP-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115400
O=C(c1cc2n(n1)CCCN(C2=O)Cc1ccc(cc1)F)NC[C@@H]1OCCOC1	PC-id_93069184	402.419	MVZNQXOULQCPLP-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115401
CC(=O)Nc1sc2c(n1)CCCC(C2=O)C(=O)c1ccc(nc1)N(C(=O)O)C	PC-id_144077556	402.424	ZSAJHRMVJPYXNV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115402
CC(=O)Nc1sc2c(n1)CCCC(=C2O)C(=O)c1ccc(nc1)N(C(=O)O)C	SCHEMBL691255	402.424	HSQXKUQXVHKJKD-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-115403
CC(NC(=O)C1=CN(CC(c2c1c(C)[nH]n2)(C)C)C(=O)c1ccc(c(c1)F)F)C	PC-id_121358809,SCHEMBL17777877	402.438	UTCNMCLYGAKCOC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115404
CC(NC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)F)F)C	PC-id_121358826,SCHEMBL17777894	402.438	LERYWKHGFKLCGV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115405
O(C(=O)C12C(=CC=CC=C1)C(=CC2=O)OCC)c1c2-c(c(OCC)c1)ccccc2	PC-id_10811097	402.439	GZDRCUYYVWCILT-UHFFFAOYSA-N	00000011100000000110000000000110000000000000000000000000	31-01-115406
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1ccc(F)cc1)C#N	PC-id_41383675	402.439	QPTXOCLTQOJDDS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115407
CCCCc1c(NC(=O)C)c(c2-c1c(C)cc(cc2)C(=O)NO)OC(=O)OCC	SCHEMBL8526916	402.441	DTPHDGKDYIXQAS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-115408
CCOC(=O)Oc1c2-c(c(c1NC(=O)C)CC(C)C)c(C)cc(cc2)C(=O)NO	PC-id_88317705,SCHEMBL8528455	402.441	CLDLGSWMJBTISM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-115409
Fc1cccc(c1)S(=O)(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	EMOLS-id_239612193,MCULE-7578695264	402.443	FIZZSNHXXBOVDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115410
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OCC(NS2)C(C1CC1)O	PC-id_139471022,SCHEMBL21337015	402.443	NBSYNEGFTHBKPL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-115411
CO[C@@H]1[C@@H](OC)CN(CCc2c1nnn2Cc1ccccc1)C(=O)CCC(=O)O	SCHEMBL13912691,PC-id_57611646	402.444	NREZFTLEYYPWRK-OXJNMPFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115412
CO[C@H]1CN(CCc2c([C@@H]1OC)n(nn2)Cc1ccccc1)C(=O)CCC(=O)O	SCHEMBL13912689,PC-id_57611647	402.444	LHEYKDWDIMIVKO-OXJNMPFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115413
O(C1C(OC)c2nnn(c2CCN(C1)C(=O)CCC(=O)O)Cc1ccccc1)C	PC-id_76625364	402.444	NREZFTLEYYPWRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115414
O(C1C(OC)c2n(nnc2CCN(C1)C(=O)CCC(=O)O)Cc1ccccc1)C	PC-id_76625365	402.444	LHEYKDWDIMIVKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115415
O=c1n2CCCCCc2nn1CC(=O)NC(CC(=O)OC)c1ccc(OC)cc1	PC-id_55570924	402.444	ITRUZVJKBHXOBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115416
CC(C)OC(=O)C1=CN(C(=O)c2ccc(C#N)cc2)CC(C)(C)c2cc(C#N)[nH]c12	CHEMBL571961,BindingDB_PC-id_42611162,PC-id_42611162,SCHEMBL4227733	402.446	GXYYDLMRAKDVGZ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-115417
o1c(C=C(c2n3CCCCCc3nn2)C#N)ccc1c1ccc(cc1)C(=O)OCC	PC-id_78650332	402.446	BZLCOCCQYHELHF-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-115418
o1c(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1c1ccc(cc1)C(=O)OCC	PC-id_8275343	402.446	BZLCOCCQYHELHF-NBVRZTHBSA-N	00000000101000110101100000000010000000000000000000000000	31-01-115419
O(C(=O)c1cc(CCn2c3NC=NCC(=O)c3nc2)cc(c1)c1ccccc1)CC	PC-id_11795379	402.446	KENWNKLMUSOMLH-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-115420
O(C(=O)c1cc(CCn2c3NC=NCC(=O)c3nc2)c(cc1)C)Cc1ccccc1	PC-id_10549099	402.446	CWDQSETWRUHXQH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115421
c1(C(=O)NCCN2CCOCC2)cn2c(CCN(CC2)C(=O)c2cc(on2)C)n1	MCULE-9034232658,EMOLS-id_331111456,ZINC22_1875245914	402.448	DPLALSCVTWHYHK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-115422
n12CCN(CCc1nnc2CNC(=O)c1ccccn1)Cc1cc2c(cccc2)o1	MCULE-7114616920,ZINC22_20538160,EMOLS-id_232780939,PC-id_29025519	402.449	OTMSBWAVIUCAIG-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-115423
O(C(=O)c1nn(cc1/C=C(c1n2CCCCCc2nn1)/C#N)c1ccccc1)CC	PC-id_52374584	402.449	ZQWOIBQRALRRRZ-SSZFMOIBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115424
O(C(=O)c1nn(cc1C=C(c1n2CCCCCc2nn1)C#N)c1ccccc1)CC	PC-id_75835624	402.449	ZQWOIBQRALRRRZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115425
c1(C(=O)N2CCn3c(CC2)nc(Cc2ccccc2)n3)nn2c(nc(cc2C)C)n1	ZINC22_2356167737,EMOLS-id_337805700,MCULE-1007789632	402.452	ALQDORPPTOWTBX-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-115426
CCOC(=O)c1sc(c2c1OCCOCCCCOCCO2)C(=O)OCC	PC-id_101801830	402.459	UWKCGJASULIGMH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115427
c12C(=O)N(CCCn1nc(C(=O)NCCCOC(C)C)c2)Cc1ccc(cc1)F	PC-id_50797938,MCULE-2180599760,EMOLS-id_32846214	402.462	BIDGWRXGHJTWKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115428
c1(cn2c(CCNCC2)n1)C(=O)N1CC[C@@H]([C@@](CO)(Cc2ccc(cc2)F)C1)O	EMOLS-id_330400747,ZINC22_1857714977,MCULE-6185063409	402.462	VKFRRLFIBBCGEX-RXVVDRJESA-N	00000000100010110101000000000010000000000000000000000000	31-01-115429
CC(OCCCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)F)C	PC-id_53086359,EMOLS-id_32632996,MCULE-8434238090	402.462	SMLHOYPDUAXOES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115430
Fc1cc(C2(CCOCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56042729	402.462	PFYYDAPDECTSCO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115431
Fc1ccc(C2(CCOCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56042117	402.462	SDTWZPJLLYTWDN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115432
Fc1ccc(cc1)C(=O)C1(O)CCN(CC1)CCn1nc2n(c1=O)CCCCC2	PC-id_19745997,SCHEMBL9377936	402.462	HCYSYGJBWAYBLD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115433
Fc1cc(CN(CC2OCCC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56229176	402.462	CKIVHLAGTSYPTP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-115434
c1(c2CCCCCc2sc1NC(=O)c1ccccc1N(=O)=O)C(=O)OC(C)C	EMOLS-id_4081077,ZINC22_2750135,MCULE-2172494745,PC-id_3410998,TIMTEC281883,CoCoCo_5822730	402.464	LEACOGVTJSDXNA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115435
c1(NC(=O)c2cccc(c2C)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_228711,ZINC22_879618,EMOLS-id_1363161,MCULE-9982029564,PC-id_1137513,BAS-02052802	402.464	ZFWGPUYMXCTWNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115436
c1(NC(=O)c2cccc(c2C)N(=O)=O)sc2c(CCCCCC2)c1C(=O)OC	CoCoCo_895628,ZINC22_2759971,TIMTEC596414,PC-id_2167922,SPECS-id_AK-968/40626777,EMOLS-id_2195382,MCULE-9661289155	402.464	ZKZRWFLGIXECDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115437
c1(NC(=O)c2cccc(c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCCC	EMOLS-id_4081087,PC-id_4608397,CoCoCo_5814693,TIMTEC539401,ZINC22_2729582,MCULE-9269211868	402.464	WZOSCDZZFFKSBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115438
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_2127280,PC-id_1371206,ChEMBL-DNDi_CHEMBL6114536,TIMTEC579938,ZINC22_1218018,CoCoCo_741261,MCULE-5622649995	402.464	YSQUJDFHRFRCHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115439
c1(NC(=O)c2ccccc2N(=O)=O)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC420880,ZINC22_1200566,MCULE-4537976340,PC-id_1358826,EMOLS-id_1996510,ChEMBL-DNDi_CHEMBL5699210,CoCoCo_684117	402.464	RDDBEXXDBXHRDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115440
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_5361793,PC-id_1283020,MCULE-2821592755,ZINC22_1102613	402.464	ALVNBXLDTISVCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115441
c1(NC(=O)c2ccc(c(C)c2)N(=O)=O)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_2127201,PC-id_1742632,SPECS-id_AK-968/12162166,CoCoCo_741167,MCULE-1706092147,ChEMBL-DNDi_CHEMBL6113603,TIMTEC133097,ZINC22_2083754	402.464	DUFQHPPYVSIWTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115442
c1(NC(=O)c2ccncc2C(=O)O)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-6812172772,PC-id_53271058	402.464	OFILDSKGFAVOKT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-115443
c1(NC(=O)c2ncccc2C(=O)O)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-4160120143,PC-id_53270775	402.464	KMXLSADIYUGDOW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-115444
c1(NC(=O)Cc2ccc(cc2)N(=O)=O)sc2c(CCCCCC2)c1C(=O)OC	PC-id_1294199,EMOLS-id_2446528,CoCoCo_907761,TIMTEC572112,ZINC22_1116671,MCULE-7286038834	402.464	YJWGHENEOJKZIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115445
COC(=O)c1c(NC(=O)COc2ccccc2C(=O)N)sc2c1CCCCC2	PC-id_17391419,EMOLS-id_15245481,ZINC22_13140833,MCULE-1700340904,CoCoCo_2817755	402.464	DZYXVFQBFLTQQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115446
s1c2CCCCCc2cc1C(=O)NN=Cc1c(c(OC)c(OC)cc1)C(=O)O	PC-id_84890295	402.464	ZWBPFUAIRRWLSF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115447
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c([N+](=O)[O-])cc(c(c1)C)C	PC-id_16796543	402.464	XFXPAHAWWLISLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115448
s1c2c(CCCCC2)c(c1NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)C	PC-id_4120854	402.464	PAIJKWYUVIYXIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115449
s1c2c(CCCCC2)c(c1NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCCC	PC-id_4676428	402.464	BVQOQXOGYAFJKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115450
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_7521871	402.464	HXRONKYVIKGPCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115451
s1c2c(CCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])c(cc1)C)C(=O)OCC	PC-id_5227371	402.464	SEHBYWQCMMVZDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115452
s1c2c(CCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])ccc1)C(=O)OC(C)C	PC-id_4398019	402.464	HOYSFJCUNMOWPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115453
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)ccc1)C(=O)NC(=O)OC	PC-id_7521870	402.464	OOOKQWPSCRJEHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115454
s1c2c(CCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])cccc1)C(=O)OCCC	PC-id_3431895	402.464	MGOQHESDHQXBBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115455
s1c2c(CCCCC2)c(c1NC(=O)c1c(OC)cccc1)C(=O)NC(=O)OC	PC-id_7521889	402.464	DANPEMYHNCWUJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115456
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_4559184	402.464	DLBCORKEJMPINZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115457
s1c2c(CCCCC2)c(c1NC(=O)COc1cc(ccc1)C(=O)N)C(=O)OC	PC-id_55680652	402.464	JDYFXXYTQUVDNX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115458
s1c2c(CCCCC2)c(c1NC(=O)COc1ccccc1)C(=O)NC(=O)OC	PC-id_7521898	402.464	LOPQIOMKUXNKLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115459
s1c2c(CCCCC2)c(c1NC(=O)COc1ccc(cc1)C(=O)N)C(=O)OC	PC-id_7931285	402.464	CNIKUFBSZHSYDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115460
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cccnc1)C)C(=O)OC	PC-id_23803122	402.464	VONUHBPQUGGYMP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-115461
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cccnc1)C(=O)OCC	PC-id_23915778	402.464	KQSXYSOABJKEMD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-115462
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(N)cc1)C(=O)OC	PC-id_7781020	402.464	NTBIKTWAGWPKMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115463
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccncc1)C)C(=O)OC	PC-id_23944066	402.464	TWKIICFOBXKWPS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-115464
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccncc1)C(=O)OCC	PC-id_24082488	402.464	ZDGXQGLJDVVFSZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-115465
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc(N)ccc1)C(=O)OC	PC-id_23915777	402.464	QZJAFYVKTQWHEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115466
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1c(cccc1[N+](=O)[O-])C	PC-id_7618169	402.464	FBZGVRPIWNSURH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115467
s1c2c(CCCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])c(cc1)C)C(=O)OC	PC-id_5076100	402.464	DUAALMRBPILGSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115468
s1c2c(CCCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_4282504	402.464	OEYNXXLRIBXCRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115469
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1cccnc1)C(=O)OC	PC-id_24136760	402.464	ADVLCFNHNCZBQY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-115470
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1ccncc1)C(=O)OC	PC-id_23773611	402.464	ZOFSXVSTNSCBQM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-115471
s1c2c(N(Cc3ccc(OC)cc3)C(=O)CN(C2=O)C(=O)OC(C)(C)C)cc1	PC-id_44204273	402.464	QGLUAZMBAQMJDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115472
Cc1csc(n1)Cc1c(C)c(c2-c1ccccc2)C(=O)c1ccc(cc1)[N+](=O)[O-]	SCHEMBL15699129,PC-id_76070601	402.466	PZZMTYYUNLTXMD-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-115473
Fc1ccccc1N1CCN(CCNC(=O)C2CCCCc3n[nH]c(=O)n23)CC1	EMOLS-id_207869328,MCULE-8482548580	402.466	DBIWEJHHDKRTCS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115474
O=C(OC(C)(C)C)NC1CCn2c(N(C1=O)C)cc(n2)CCOS(=O)(=O)C	SCHEMBL18367404	402.466	CSHXJDFEODKMQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115475
c1ccc2-c(cc1)cc(c2)C=P(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_102095124	402.467	XHHHPMURFGLEFC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-115476
c1(NC(=O)CCC(=O)Nc2ccc(cc2C)N(=O)=O)sc2c(CCCCC2)n1	EMOLS-id_335041281,MCULE-9519059636	402.467	PBZRKWXKSWJZIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115477
c1(NC(=O)CCC(=O)Nc2ccc(cc2N(=O)=O)C)sc2c(CCCCC2)n1	MCULE-9033952712,EMOLS-id_335055367	402.467	ZAIPHABGQOKFCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115478
c1(NC(=O)CCC(=O)Nc2c(C)ccc(c2)N(=O)=O)sc2c(CCCCC2)n1	MCULE-6353011045,EMOLS-id_335065357	402.467	MKXBZIFRVYXSCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115479
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(c(N(=O)=O)c1)N1CCOCC1	PC-id_16605128,EMOLS-id_334605435,MCULE-8472981589	402.467	ZTYFJUJMOTXGKE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115480
COCCC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)NC	SCHEMBL1770625,PC-id_58256722	402.467	MNVSINOLYPFZRK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115481
COCC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)NCC	PC-id_58256706,SCHEMBL1770533	402.467	CNYVHIFZYNULJI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115482
N1(Cc2ccco2)C(=O)[C@@H](NC1=O)CCC(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_50232242,STOCK7S-50697,MCULE-9230200598	402.467	NCAWHLBYPJBMKZ-AWEZNQCLSA-N	00000010101000000101000000000010000000000000000000000000	31-01-115483
N1(Cc2ccco2)C(=O)C(N=C1O)CCC(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_54879342,PC-id_91640745,MCULE-4852397816	402.467	NCAWHLBYPJBMKZ-UHFFFAOYSA-N	00000011101000000101000000000010000000000000000000000000	31-01-115484
O=C(CC[C@H]1N=C(O)N(Cc2ccco2)C1=O)Nc1nc2c(s1)CCCCC2	ZINC22_252538628	402.467	NCAWHLBYPJBMKZ-CQSZACIVSA-N	00000011101000000101000000000010000000000000000000000000	31-01-115485
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1	PC-id_31845544	402.467	XHJGPPBMKORIJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115486
s1c2CCCCCc2cc1C(=O)NNC(=O)CCNc1c([N+](=O)[O-])cccc1	PC-id_46516448	402.467	ZSXJKXUCIRGZTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115487
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(NC)cc1	PC-id_9431623	402.467	ZZIHHQWYEQILIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115488
s1c2CCCCCCc2nc1NC(=O)C(NC(=O)c1cc([N+](=O)[O-])ccc1)C	PC-id_56419038	402.467	UTETWZDDAMYLER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115489
S1(=O)(=O)CC(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)CC1	PC-id_50798073	402.467	LGXPHYWJAICURW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-115490
O=C(NCc1nnc2n1CCCCC2)CCNC1=NS(=O)(=O)c2c1cccc2	MCULE-3183367330,EMOLS-id_257877295	402.471	YKJKJAVKIXJFEZ-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-115491
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)N1CCOCC1	CoCoCo_700008,ZINC22_5205380,EMOLS-id_24843028,MCULE-4969137140,PC-id_22310562	402.482	NJDTYNQPPBKGNZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115492
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCC(=O)c1ccc(F)cc1	PC-id_9441660	402.482	CQTSDDOOZGPUOK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115493
s1c(NC(=O)C2C3CC(C2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCC	PC-id_73135991	402.484	LWEQYPUQHXGNHP-UHFFFAOYSA-M	00000011100000000100000000000110000000000000000000000000	31-01-115494
s1c(NC(=O)C2C3CC(C2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)OC	PC-id_73131264	402.484	RMGYGYBIBZRJDX-UHFFFAOYSA-M	00000011100000000100000000000110000000000000000000000000	31-01-115495
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCC	PC-id_11894758	402.484	LWEQYPUQHXGNHP-KOZAUXTDSA-M	00000011100000000100000000000110000000000000000000000000	31-01-115496
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCC	PC-id_11894760	402.484	LWEQYPUQHXGNHP-KNPMLCFXSA-M	00000011100000000100000000000110000000000000000000000000	31-01-115497
s1c(NC(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCC	PC-id_20024268	402.484	LWEQYPUQHXGNHP-RKLWJJNISA-M	00000011100000000100000000000110000000000000000000000000	31-01-115498
s1c(NC(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCC	PC-id_20024270	402.484	LWEQYPUQHXGNHP-APYUEPQZSA-M	00000011100000000100000000000110000000000000000000000000	31-01-115499
s1c(NC(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCC	PC-id_27016922	402.484	LWEQYPUQHXGNHP-OJDYBEQGSA-M	00000011100000000100000000000110000000000000000000000000	31-01-115500
s1c(NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCC	PC-id_27016925	402.484	LWEQYPUQHXGNHP-VZAMPYOESA-M	00000011100000000100000000000110000000000000000000000000	31-01-115501
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)OC	PC-id_11869265	402.484	RMGYGYBIBZRJDX-KNPMLCFXSA-M	00000011100000000100000000000110000000000000000000000000	31-01-115502
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)OC	PC-id_11895929	402.484	RMGYGYBIBZRJDX-KOZAUXTDSA-M	00000011100000000100000000000110000000000000000000000000	31-01-115503
s1c(NC(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)OC	PC-id_18390018	402.484	RMGYGYBIBZRJDX-APYUEPQZSA-M	00000011100000000100000000000110000000000000000000000000	31-01-115504
s1c(NC(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)OC	PC-id_20024624	402.484	RMGYGYBIBZRJDX-RKLWJJNISA-M	00000011100000000100000000000110000000000000000000000000	31-01-115505
s1c(NC(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)OC	PC-id_27025829	402.484	RMGYGYBIBZRJDX-OJDYBEQGSA-M	00000011100000000100000000000110000000000000000000000000	31-01-115506
s1c(NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)OC	PC-id_40545773	402.484	RMGYGYBIBZRJDX-VZAMPYOESA-M	00000011100000000100000000000110000000000000000000000000	31-01-115507
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)C(=O)CCCC2	PC-id_58153616,SCHEMBL683751	402.486	XZDMKPWOFLIUPL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115508
CCCCOc1ccc(c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1	CHEMBL1796989,BindingDB_PC-id_53357980,PC-id_53357980	402.486	WJLWSPYJADFRCA-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-115509
CN(Cc1cc2c(o1)CCN(CC2)C(=O)c1ccc(cc1)C(=O)c1ccccc1)C	PC-id_19599946,SCHEMBL8437222	402.486	LBZAPRUTTISPRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115510
CN(Cc1cc2c(o1)CN(CCC2)C(=O)c1ccc(cc1)C(=O)c1ccccc1)C	SCHEMBL8434934,PC-id_19600045	402.486	MEAGAUMXRDLPGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115511
Fc1ccc(C[NH+]2CCCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_25618676	402.486	RBKLBAVVEINJTN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115512
COC(=O)C1CCN(C1)C(=O)c1cn2CCN(CCc2n1)C(=O)CC1CCCC1	EMOLS-id_331096885	402.487	CKFDVTFMADUKSC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-115513
COC(=O)[C@H]1CCN(C(=O)c2cn3c(n2)CCN(C(=O)CC2CCCC2)CC3)C1	ZINC22_1875248989	402.487	CKFDVTFMADUKSC-INIZCTEOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-115514
COC(=O)[C@@H]1CCN(C(=O)c2cn3c(n2)CCN(C(=O)CC2CCCC2)CC3)C1	ZINC22_1875248990	402.487	CKFDVTFMADUKSC-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-115515
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(COCCOCC)ccc1	PC-id_55690261	402.487	MDSXXNPXKJQFTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115516
O=c1n2CCCCCc2nn1CC(=O)NC(c1cc(OC)c(OC(C)C)cc1)C	PC-id_55653904	402.487	HNMDTXDFCJATFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115517
O=c1n2CCCCCc2nn1CC(=O)NC(c1cc(OC)c(OCCC)cc1)C	PC-id_55747522	402.487	JVUMAPJSRVKYAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115518
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(OC)c(OCCCC)cc1	PC-id_55694018	402.487	RSUFFMWGYUSHJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115519
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1)C(C)C)c2)Cc1ccccc1	CoCoCo_2544500,PC-id_20964706,MCULE-1108446964,EMOLS-id_16324610	402.489	PWWPFRBMDYIIGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115520
c12C(=O)N(CCCn1nc(C(=O)Nc1cccc(CC)c1)c2)Cc1cccc(C)c1	PC-id_53034575,EMOLS-id_32633158,MCULE-7201198037	402.489	ADQSOBWBTOXFOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115521
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1C)c2)Cc1ccc(cc1)C	CoCoCo_2544562,EMOLS-id_17477168,PC-id_46347985,MCULE-2637429191	402.489	BJAFXCUIMYJFBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115522
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)C)c2)Cc1ccc(cc1)C	PC-id_46347974,CoCoCo_2544533,EMOLS-id_24406112,MCULE-6905591272	402.489	ZXIDEPHJOGSFRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115523
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)C)c2)Cc1cccc(C)c1	PC-id_53034560,MCULE-6040926368,EMOLS-id_32633114	402.489	MVOSVXAEDIMAQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115524
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1C)c2)Cc1cccc(C)c1	PC-id_53034591,EMOLS-id_32633250,MCULE-9211595339	402.489	VZYFJVVDUIHRQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115525
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)CC)c2)Cc1ccccc1	MCULE-1652179618,EMOLS-id_16073771,CHEMBL1478775,PC-id_16011309	402.489	HBFLAJRFCDLSSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115526
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(C)c1)c2)Cc1ccc(cc1)C	CoCoCo_2544535,EMOLS-id_24406116,PC-id_46347976,MCULE-7163507823	402.489	ZZDJWNNTVOIKCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115527
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(C)c1)c2)Cc1cccc(C)c1	PC-id_53034569,EMOLS-id_32633140,MCULE-7012034488	402.489	HXJKBMXRENZKOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115528
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(C)ccc1C)c2)Cc1ccccc1	PC-id_20964717,MCULE-8561168906,EMOLS-id_16324632,CoCoCo_2544513	402.489	YQCDVCHMPJGMBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115529
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1)c2)Cc1ccc(cc1)C	CoCoCo_2544536,EMOLS-id_17477164,PC-id_46347977,MCULE-3856599333	402.489	OWVJFTJZOBHXLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115530
c12C(=O)N(CCCn1nc(C(=O)NC(C)c1ccccc1)c2)Cc1cccc(C)c1	EMOLS-id_32633132,PC-id_53034566,MCULE-9910670659	402.489	VDKBNQUCQNAXTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115531
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1)c2)Cc1cccc(C)c1	PC-id_53034570,EMOLS-id_32633142,MCULE-1982710571	402.489	VXXWJLTUROSLMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115532
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)C)c2)Cc1ccccc1	MCULE-4191896367,CoCoCo_2544496,EMOLS-id_16324602,PC-id_20964702	402.489	AUOOMUBFNXPCFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115533
c12C(=O)N(CCCn1nc(C(=O)NCCc1cccc(C)c1)c2)Cc1ccccc1	PC-id_20964715,EMOLS-id_16324628,MCULE-3260572560,CoCoCo_2544512	402.489	GINXWTADKGCMDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115534
c12C(=O)N(CCCn1nc(C(=O)NCCCc1ccccc1)c2)Cc1ccccc1	CoCoCo_2544490,MCULE-6441692058,PC-id_20964698,EMOLS-id_16324594	402.489	PHWQNGHEGPZDOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115535
C1CC1CN1CCNc2c(C1=O)n(c(n2)COc1ccccc1)Cc1ccccc1	PC-id_134805604	402.489	HQGWCMSIWJSBRM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-115536
C1CN(CCn2c1ncc2C(=O)NCc1ccccc1)Cc1cc2c(cc1)OCC2	PC-id_134805876	402.489	ZAXXKFVOUARZCC-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-115537
Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@H](c1ccccc1)C	PC-id_95056127	402.489	VDKBNQUCQNAXTH-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115538
Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@@H](c1ccccc1)C	PC-id_95056128	402.489	VDKBNQUCQNAXTH-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115539
Cc1ccc(cc1)C(=O)c1ccccc1C(=O)NCCc1nnc2n1CCCCC2	PC-id_93907209	402.489	IOWSQQSNULTNRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115540
Cc1c(cc(cc1)C(=O)N1CCN(CC1)C)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478297	402.489	QDKOBYCUZZSKDP-UHFFFAOYSA-N	00000010100010110111000000000010000000000000000000000000	31-01-115541
Cc1c(cc(cc1)N1CCC(CC1)C(=O)N)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478260	402.489	ZBTGQNMDDDFVQR-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-115542
Cc1c(cc(cc1)N1CCCN(CC1)C=O)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478259	402.489	XJLSKBLNOJOWBO-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-115543
Cc1cc(C)cc(c1)C(=O)N1CCc2ccc(C(=O)NCc3cccnc3)n2CC1	ZINC22_585111030,EMOLS-id_313770190	402.489	UFWUWQOLEQLAME-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-115544
Cc1ccc(CC(=O)N2CCc3ccc(C(=O)NCc4cccnc4)n3CC2)cc1	EMOLS-id_313770446,ZINC22_585111037	402.489	VQBWSAYVQLOECG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-115545
Cc1ccc(C(=O)c2ccccc2C(=O)NCc2nnc3n2CCCCC3)cc1C	PC-id_25578284,EMOLS-id_24121678,CoCoCo_4647662,ZINC22_12887547,MCULE-5081893591	402.489	OLGKFXNMASCLLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115546
CC1C(CNCc2ccccc2)CCc2c(C1=O)c(c[nH]2)C(=O)Nc1ccccn1	PC-id_142202610	402.489	GPKREPKRJLHAHB-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-115547
C=C/C=C/1C(=C/CC)Nc2c(CN1C(=O)c1ccc(c(c1)C)/C=C/C=O)cnn2C	PC-id_143188766	402.489	KZZBLCSXLNJOIF-JNJWLSJLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115548
C[C@H](c1ccccc1)CNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	CoCoCo_2544502,PC-id_92711843	402.489	QLAUVLUDNIDXFL-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115549
C[C@@H](c1ccccc1)CNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_92711844,CoCoCo_2544501	402.489	QLAUVLUDNIDXFL-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115550
CN1CCN(CC1)C(=O)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076957	402.489	QDKOBYCUZZSKDP-KOEQRZSOSA-N	00000010100010110111000000000010000000000000000000000000	31-01-115551
NC(=O)C1CCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076572	402.489	ZBTGQNMDDDFVQR-WGOQTCKBSA-N	00000010100010110110100000000010000000000000000000000000	31-01-115552
O=C1N(CCCn2nc(cc12)C(=O)NCCc1c(cccc1)C)Cc1ccccc1	MCULE-2289212288,PC-id_50798057,EMOLS-id_32846068	402.489	WNNSMHJQOQSCLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115553
O=C1N(CCCn2nc(cc12)C(=O)NCC(c1ccccc1)C)Cc1ccccc1	PC-id_20964707	402.489	QLAUVLUDNIDXFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115554
O=CN1CCCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076571	402.489	XJLSKBLNOJOWBO-XIEYBQDHSA-N	00000010100000110111100000000010000000000000000000000000	31-01-115555
Cc1noc(C)c1Cn1nc2CCC(CCn2c1=O)C(=O)NCCN1CCCC1	MCULE-1459341719,EMOLS-id_207876752	402.491	PCZHVUGJIMQCQS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-115556
CN=C(NCc1nnc2n1CCCCC2)NCc1cc(OC)c(c(c1)OC)OC	PC-id_111376340	402.491	KEVPRLDNFLOGGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115557
CC1Cc2ccccc2N1C(=O)CN1CCc2nnc(Cc3cccnc3)n2CC1	MCULE-1787556639,EMOLS-id_316147414,PC-id_134702974	402.492	IVVPPYCIGHPUKM-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-115558
C/C(=Cc1ccccc1)/CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	PC-id_25290810,CoCoCo_1530186,CoCoCo_1530184,ZINC22_12451410,EMOLS-id_26016817	402.492	NIPRDWRMTMQHBW-OBGWFSINSA-N	00000000100000111101000000000010000000000000000000000000	31-01-115559
C/C(=C/c1ccccc1)/CN1CCn2c(CC1)nnc2CNC(=O)c1ccncc1	CoCoCo_1530183,CoCoCo_1530185	402.492	NIPRDWRMTMQHBW-SDXDJHTJSA-N	00000000100000111101000000000010000000000000000000000000	31-01-115560
C[C@H]1Cc2ccccc2N1C(=O)CN1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_1529144089	402.492	IVVPPYCIGHPUKM-KRWDZBQOSA-N	00000010100000101101000000001010000000000000000000000000	31-01-115561
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_1529144090	402.492	IVVPPYCIGHPUKM-QGZVFWFLSA-N	00000010100000101101000000001010000000000000000000000000	31-01-115562
n12CCN(CCc1nnc2Cc1cccnc1)CC1CC(=O)N(c2ccccc2)C1	PC-id_118779140,EMOLS-id_68908565,MCULE-7863296902	402.492	AFOCWNSHVQOZKN-UHFFFAOYSA-N	00000010100000111101100000000010000000000000000000000000	31-01-115563
n12CCN(CCc1nnc2CCNC(=O)c1cccnc1)CC=Cc1ccccc1	PC-id_74843718,MCULE-3446125237	402.492	UFSFWCRPJOYQCK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-115564
n12CCN(CCc1nnc2CNC(=O)c1ccncc1)CC(=Cc1ccccc1)C	PC-id_74416592,MCULE-6151403743	402.492	NIPRDWRMTMQHBW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-115565
O=C1C[C@@H](CN2CCc3nnc(Cc4cccnc4)n3CC2)CN1c1ccccc1	ZINC22_299772810	402.492	AFOCWNSHVQOZKN-IBGZPJMESA-N	00000010100000111101100000000010000000000000000000000000	31-01-115566
O=C1C[C@H](CN2CCc3nnc(Cc4cccnc4)n3CC2)CN1c1ccccc1	ZINC22_299772814	402.492	AFOCWNSHVQOZKN-LJQANCHMSA-N	00000010100000111101100000000010000000000000000000000000	31-01-115567
O=C(c1cccnc1)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccccc1	CoCoCo_1253355,CoCoCo_1253357	402.492	UFSFWCRPJOYQCK-YVMONPNESA-N	00000000100000111101000000000010000000000000000000000000	31-01-115568
O=C(NCCc1nnc2CCN(C/C=C/c3ccccc3)CCn12)c1cccnc1	ZINC22_11979405,EMOLS-id_44851989,CoCoCo_1253356,CoCoCo_1253358,PC-id_42329755	402.492	UFSFWCRPJOYQCK-VMPITWQZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-115569
S(c1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1)c1scnn1	PC-id_56422391	402.494	NEWJXZRIVPKLAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115570
Fc1ccc(cc1)S(=O)(=O)N1Cc2ccsc2NCC1Cc1ccccc1	SCHEMBL6631815,PC-id_18422720	402.505	PBTCYQPHXSGBSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115571
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C(=O)N	MCULE-8507424109,TIMTEC264649,EMOLS-id_2125873,PC-id_1370616,CoCoCo_739416,ZINC22_1217336	402.507	KKVOYSGKOBOAKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115572
CCOc1ccc(cc1)OC(C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C	PC-id_24546356,EMOLS-id_43848421,MCULE-4396263892	402.507	BYDBFHATMPFIOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115573
CCOc1ccc(cc1)O[C@H](C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C	CoCoCo_3339548,PC-id_9425085	402.507	BYDBFHATMPFIOD-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115574
CCOc1ccc(cc1)O[C@@H](C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C	CoCoCo_3339549,PC-id_9425086	402.507	BYDBFHATMPFIOD-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115575
CCOc1cc(OCC)cc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1	PC-id_20166072,ZINC22_6944236	402.507	JUAYEUMBJCHSCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115576
COc1cc(NC(=O)C(=O)NCc2cc3c(s2)CCCCC3)c(cc1OC)C	GD-id_ZINC51809310	402.507	UMKQTMFJQXNQDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115577
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OCC)c(OCC)cc1	PC-id_31541674	402.507	ZDAQJUXRUQWNRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115578
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OC(C)C)cc1	PC-id_9160703	402.507	UWGRIPFBCUNZJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115579
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(OCCOCC)cccc1	PC-id_56246327	402.507	WOQQDIVSADXDOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115580
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1cc(OC)cc(OC)c1	PC-id_29911547	402.507	DAMOHIUQLFHOKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115581
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1cc(OC)c(OC)cc1	PC-id_46666788	402.507	JJCKUZDCZKRPFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115582
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1c(OC)ccc(OC)c1	PC-id_46539104	402.507	PHPAMOYLCUWOJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115583
s1c2c(CCCCC2)c(c1NC(=O)CCc1cc(OC)c(OC)cc1)C(=O)N	PC-id_52894693	402.507	BGIWBOYKIIKCCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115584
s1c2c(CCCCC2)c(c1NC(=O)CCc1c(OC)ccc(OC)c1)C(=O)N	PC-id_60392722	402.507	ZKMYLBNMLDYVHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115585
s1c2c(CCCCC2)c(c1NC(=O)C(OCc1cc(OC)ccc1)C)C(=O)N	PC-id_55684394	402.507	DINRRFVVXHZTDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115586
s1c2CCCCCc2nc1NC(=O)CCCOc1c(OC)cc(cc1)C(=O)C	PC-id_55758226	402.507	LPEHFCHAFLZDNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115587
s1c2CCCCCCc2cc1C(=O)Nc1cc(NC(=O)OCCOC)ccc1	PC-id_56074076	402.507	KJFOZOKRJJTUFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115588
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(OCCOC)cccc1	PC-id_60566772	402.507	XZZUXLYFJKTRAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115589
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1cc(OC)c(OC)cc1	PC-id_9441661	402.507	GQOSJTMDHMUOSD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115590
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1c(OC)cc(OC)cc1	PC-id_24643168	402.507	INPHUPKAXZMMBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115591
s1c2CCCCCCc2cc1C(=O)NNC(=O)COCCOc1ccccc1	PC-id_46458523	402.507	XNAKHXULPHFXGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115592
CCC(Oc1cccc(c1)F)CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_109475611	402.509	YTCAZMRJJMJECV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115593
CCNC(=NCc1nnc2n1CCCCC2)NCC(Oc1cccc(c1)F)CC	PC-id_109475751	402.509	LLTFZAZFDHWWMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115594
CCNC(=NCC(Oc1ccc(cc1)F)C)NCCc1nnc2n1CCCCC2	PC-id_111677792	402.509	BMUQVWAYSVDHKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115595
CCNC(=NCC(Oc1cccc(c1)F)C)NCCc1nnc2n1CCCCC2	PC-id_111681014	402.509	HCWRXKQYDWATQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115596
CCNC(=NCC(Oc1ccccc1F)C)NCCc1nnc2n1CCCCC2	PC-id_111683904	402.509	BYGNJCQPWGUYIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115597
CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_36277649,PC-id_52415997,MCULE-2806746225,ZINC22_56828169	402.509	POJZNVZJCDSAIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115598
CN=C(N(Cc1ccc(c(c1)F)OC)C)NCCCc1nnc2n1CCCCC2	PC-id_111366995	402.509	ULPAIEJVRQVVIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115599
CN=C(NC(c1ccc(c(c1)F)OC)C)NCCCc1nnc2n1CCCCC2	PC-id_111382511	402.509	FRPBGPXOECNTFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115600
CN=C(N(CCOc1ccc(cc1)F)C)NCCCc1nnc2n1CCCCC2	PC-id_111419093	402.509	UZQYTKHYFMNOFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115601
CN=C(N(CCOc1ccccc1F)C)NCCCc1nnc2n1CCCCC2	PC-id_111419439	402.509	BGEKODPYYUFTBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115602
CN=C(NCC(Oc1ccc(cc1)F)C)NCCCc1nnc2n1CCCCC2	PC-id_111678432	402.509	YVVOMRMOKOAZAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115603
CN=C(NCC(Oc1cccc(c1)F)C)NCCCc1nnc2n1CCCCC2	PC-id_111681660	402.509	JZHKHPRAPMIBLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115604
CN=C(NCC(Oc1ccccc1F)C)NCCCc1nnc2n1CCCCC2	PC-id_111684602	402.509	VXHZSXNTYGSUKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115605
O=C(Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2)C=Cc1ccccc1	PC-id_139709997	402.509	HVEHREYVJAWNMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115606
c1(C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)c2CCCCCc2[nH]n1	MCULE-2342033826,EMOLS-id_323249594	402.51	JLSGZMRQCYPWCA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115607
Cc1ccc(CS(=O)(=O)N2CCCn3cnc(CN4CCCC4=O)c3C2)cc1	EMOLS-id_44370324,PC-id_97519472,ZINC22_96259388	402.51	RYLBHUSEPOKLTN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-115608
CCc1ccc(cc1)S(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	ZINC22_96259389,PC-id_97519473,EMOLS-id_44370326	402.51	KPZGZXRCONUWDZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-115609
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)N1CCN(CC1)c1ccccc1	PC-id_53182935,MCULE-9362327395,EMOLS-id_33087322	402.51	LRCVBEPTQYEWEU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115610
CCN(CC)C(=O)c1nc2CCN(CCc2s1)C(=O)Nc1cccc(OC)c1	PC-id_97442574,ZINC22_96147050,EMOLS-id_44304070	402.51	AEVPXSIRYSUFSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115611
Cn1c2CCN(CCc2nc1C(=O)NCc1cccs1)C(=O)CC1(O)CCC1	EMOLS-id_313768143,ZINC22_1565555963	402.51	KRVFSOYZDFSCRR-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-115612
CN1CCCn2cc(cc2C1=O)S(=O)(=O)N1CCN(CC1)c1ccccc1C	EMOLS-id_48455509,MCULE-4281281063,PC-id_53182891	402.51	MOJSRKSJQRCKTN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115613
COc1cccc(c1)NC(=O)N1CCc2c(CC1)nc(s2)C(=O)NCC(C)C	PC-id_97524697	402.51	ZRIKNPIXFKWWPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115614
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)NC(C)C)c1	EMOLS-id_44303868,ZINC22_96146950,PC-id_97442474	402.51	FZWIMFYRTDEZOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115615
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)NC(C)C)cc1	ZINC22_96146959,PC-id_97442483,EMOLS-id_44303886	402.51	BIXPTPLSOCICKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115616
n12CCC(CCc1nn(CC1CC1)c2=O)NS(=O)(=O)c1ccc2c(CCC2)c1	EMOLS-id_168607933,MCULE-9325201048	402.51	WELBYFDHGLVXMG-UHFFFAOYSA-N	00100010100000100101000000001010000000000000000000000000	31-01-115617
O=C1CCCCN1c1ccc(cc1)S(=O)(=O)NCc1n[nH]c2CCCCCc12	ZINC22_670452591,MCULE-5959132466,EMOLS-id_222770683	402.51	BZSMKJYDBUPVJE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115618
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C(C)C)C)CC2)ccc1OC)C	PC-id_42366787	402.51	ZQFZLYWJMULULG-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115619
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C(C)C)C)CC2)ccc1OC)C	PC-id_42366789	402.51	ZQFZLYWJMULULG-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115620
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C(C)C)C)CC2)cc(OC)c1)C	PC-id_26354538	402.51	KMDZNLWUHQACAB-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115621
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C(C)C)C)CC2)cc(OC)c1)C	PC-id_26354541	402.51	KMDZNLWUHQACAB-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115622
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C)CC(C)C)CC2)ccc1O)C	PC-id_42324690	402.51	WSQFPLDWERIREO-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115623
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C)CC(C)C)CC2)ccc1O)C	PC-id_42324696	402.51	WSQFPLDWERIREO-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115624
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)C(C)C)C)CC2)ccc1OC)C	PC-id_74799698	402.51	ZQFZLYWJMULULG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115625
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)C(C)C)C)CC2)cc(OC)c1)C	PC-id_74501258	402.51	KMDZNLWUHQACAB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115626
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)C)CC(C)C)CC2)ccc1O)C	PC-id_74792219	402.51	WSQFPLDWERIREO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115627
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C(C)C)C)CC2)cccc1OCC	PC-id_42347889	402.51	DGTCDAOVYJLSSD-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115628
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C(C)C)C)CC2)cccc1OCC	PC-id_42347896	402.51	DGTCDAOVYJLSSD-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115629
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C(C)C)C)CC2)cccc1OC)C	PC-id_42425069	402.51	ZVUOMNWPCBXZOY-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115630
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C(C)C)C)CC2)cccc1OC)C	PC-id_42425073	402.51	ZVUOMNWPCBXZOY-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115631
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)C(CC)C)CC2)cccc1OC)C	PC-id_74494063	402.51	SUVDPMBRIAUYAO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115632
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)C(C)C)C)CC2)cccc1OC)C	PC-id_74802237	402.51	ZVUOMNWPCBXZOY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115633
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)C(C)C)C)CC2)cccc1OCC	PC-id_74845227	402.51	DGTCDAOVYJLSSD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115634
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)[C@@H](CC)C)CC2)cccc1OC)C	PC-id_26277768	402.51	SUVDPMBRIAUYAO-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115635
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)[C@H](CC)C)CC2)cccc1OC)C	PC-id_26277770	402.51	SUVDPMBRIAUYAO-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115636
O=C(NC1CCN(CC1)S(=O)(=O)c1ccccc1)c1n[nH]c2CCCCCc12	MCULE-3539538218,EMOLS-id_323255993	402.51	JLSNODQWDLQWCO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115637
O=CNCNC(=O)C(Cc1csc2c1C=CCC=C2)NC(=O)C1CCNCC1	PC-id_143400384	402.51	HMPVIWIRPSLSNH-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-115638
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)CC(=O)Nc1noc(c1)C	PC-id_24572886	402.51	KBFZHOCIPPXTMP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-115639
s1c(C(=O)CCC(=O)CCC(=O)NCc2n3CCCCCc3nn2)ccc1C	PC-id_60442123	402.51	AQOFFJYATDRYIR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-115640
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(cc1)C(=O)OCCCC	PC-id_7876911	402.51	CWUZHVMVNAUNJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115641
O=C(c1c[nH]c2c1cccc2)C(c1ccccc1)Sc1nnc2n1CCCCC2	EMOLS-id_3468774,PC-id_4855824,MCULE-4311324045	402.512	XPZVRWWLFDAVLG-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-115642
O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1	CoCoCo_3081434,PC-id_8119215,ZINC22_6942769	402.512	XPZVRWWLFDAVLG-JOCHJYFZSA-N	00000000100000110101000001100010000000000000000000000000	31-01-115643
O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1	PC-id_8119214,CoCoCo_3081435,ZINC22_6942765	402.512	XPZVRWWLFDAVLG-QFIPXVFZSA-N	00000000100000110101000001100010000000000000000000000000	31-01-115644
O/C(=C(/c1ccccc1)Sc1nnc2n1CCCCC2)/c1c[nH]c2c1cccc2	CoCoCo_3081436,CoCoCo_3081439	402.512	NWVJTUNLSDOEGJ-DQRAZIAOSA-N	00000000100000110101000001100010000000000000000000000000	31-01-115645
O/C(=C(c1ccccc1)/Sc1nnc2n1CCCCC2)/c1c[nH]c2c1cccc2	CoCoCo_3081438,CoCoCo_3081437	402.512	NWVJTUNLSDOEGJ-QURGRASLSA-N	00000000100000110101000001100010000000000000000000000000	31-01-115646
O=C(NCc1n2CC[NH+](CCc2nn1)C/C=C/c1ccccc1)Cc1ccccc1	PC-id_26348987	402.512	XSBCSBGGFZDKJQ-KPKJPENVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115647
O=C(NCc1n2CC[NH+](CCc2nn1)CC=Cc1ccccc1)Cc1ccccc1	PC-id_74499258	402.512	XSBCSBGGFZDKJQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115648
CC(C)S(=O)(=O)NCc1nnc2CCN(Cc3cc4ccccc4[nH]3)CCn12	MCULE-5029890763,ZINC22_11968283,PC-id_42321058,EMOLS-id_232702929	402.514	XDPQCIDXQLHXEI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-115649
O=C(Nc1noc(c1)C)[C@@H]([NH+]1CCN(CC1)Cc1n2CCCCCc2nn1)CC	PC-id_52284965	402.514	AOAZNCKFKLYJID-INIZCTEOSA-O	00000000100010000101000000000010000000000000000000000000	31-01-115650
O=C(Nc1noc(c1)C)[C@H]([NH+]1CCN(CC1)Cc1n2CCCCCc2nn1)CC	PC-id_52284967	402.514	AOAZNCKFKLYJID-MRXNPFEDSA-O	00000000100010000101000000000010000000000000000000000000	31-01-115651
O=C(Nc1noc(c1)C)C([NH+]1CCN(CC1)Cc1n2CCCCCc2nn1)CC	PC-id_75820110	402.514	AOAZNCKFKLYJID-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-115652
S(c1n2CCCCCc2nn1)Cc1nc(N2CCCC2)ncc1C(=O)OCC	PC-id_52166577	402.514	YTOZXMGKBDAOSO-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-115653
S(c1n2CCCCCc2nn1)Cc1nc(N2CCCCC2)ncc1C(=O)OC	PC-id_52166912	402.514	ZYMYOTOXXOSLDU-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-115654
S(c1ncccc1C(=O)N1CCn2c(nnc2CNC(=O)C(CC)C)CC1)C	PC-id_56856303	402.514	GSGULRAGXLUVRL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115655
COc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1F	ZINC22_23805490,PC-id_9118595,EMOLS-id_3591891,MCULE-4860622615,CoCoCo_3888210	402.525	NTRIUNODAIJGBS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115656
s1c2CCCCCc2cc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(F)cc1	PC-id_27810606	402.525	GBTFBHKRSDGCCH-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115657
s1c2CCCCCc2cc1C(=O)NC[C@H](N1CCOCC1)c1ccc(F)cc1	PC-id_27810609	402.525	GBTFBHKRSDGCCH-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-115658
s1c2CCCCCc2cc1C(=O)NCC(N1CCOCC1)c1ccc(F)cc1	PC-id_43017245	402.525	GBTFBHKRSDGCCH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115659
Cn1cc2C(=O)CCN(Sc2c1)CCCN1CCN(CC1)c1ccc(cc1)F	PC-id_90779425	402.529	IOHQQZPLUBFESR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115660
Fc1ccc(cc1)CN1CCC(CC1)NC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112838302	402.529	LCEPLOLJMFQZMY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115661
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CC(CC)CC)CCc3nn2)cc1	PC-id_42346914	402.529	DFPRGAFHBJJCKL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115662
S1N(CCCN2CCN(CC2)c2ccc(F)cc2)CCC(=O)c2n(ccc12)C	PC-id_21028213	402.529	KBQGDQJOVNNMMM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115663
c1(NC(=O)c2ccc(cc2)S(=O)(=O)C(C)C)sc2c(CCCCC2)c1C#N	CoCoCo_5191876,ZINC22_10253596,PC-id_16800280,Chemmine_48888,EMOLS-id_5627614,MCULE-3489765075	402.53	QQYNVJWLIPWVOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115664
c1(NC(=O)c2cccc(c2)S(=O)(=O)C(C)C)sc2c(CCCCC2)c1C#N	MCULE-7649164748,EMOLS-id_5627506,ZINC22_10253413,CoCoCo_5191812,PC-id_16800257	402.53	OHMYYZJVJCTBFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115665
c1(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)sc2c(CCCCC2)c1C#N	MCULE-3773193038,EMOLS-id_5627314,ChEMBL-DNDi_CHEMBLF2829-0624,PC-id_18587039,ZINC22_10253095,CoCoCo_5191657	402.53	NIIRVHGDPFICOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115666
c1(NC(=O)CCCS(=O)(=O)c2ccccc2)sc2c(CCCCC2)c1C#N	ZINC22_10218311,EMOLS-id_5624176,PC-id_18585736,CoCoCo_5189565,MCULE-4374128292	402.53	SUIVOCKLLGNYDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115667
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)C)sc2c(CCCCC2)c1C#N	ZINC22_4496205,EMOLS-id_5565056,ChEMBL-DNDi_CHEMBLF2536-0668,MCULE-2385090489,CoCoCo_5138010,PC-id_7254281	402.53	AHUXUOQQFQAYDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115668
c1(NC(=S)NC(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_1212803,SPECS-id_AJ-292/40461007,CoCoCo_809858,EMOLS-id_935778,MCULE-8542458075,ZINC22_985779	402.53	NKFDORZHCXVADX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115669
s1c2CCCCCc2cc1C(=O)OC(C1=NC(=O)C2C(=C(SC2=N1)C)C)C	PC-id_78462780	402.53	UDIIQOHENJSXMR-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-115670
s1c2CCCCCc2cc1C(=O)O[C@@H](c1[nH]c(=O)c2c(c(sc2n1)C)C)C	PC-id_7226142	402.53	DFDJWQLDRDPPKO-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115671
s1c2CCCCCc2cc1C(=O)O[C@H](c1[nH]c(=O)c2c(c(sc2n1)C)C)C	PC-id_7226143	402.53	DFDJWQLDRDPPKO-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-115672
s1c2c(CCCCC2)c(c1Nc1sc2c(n1)ccc(OC)c2)C(=O)OCC	PC-id_43968497	402.53	DWXCRZDVIFGAHW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115673
s1c2c(CCCCC2)c(c1Nc1sc2c(n1)c(OC)ccc2)C(=O)OCC	PC-id_43968331	402.53	XJTNKNRMWBGASI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115674
s1c2CCCCCc2c(c1NC(=O)CCS(=O)(=O)Cc1ccccc1)C#N	PC-id_41582852	402.53	PBCJASSJVAMFKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115675
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1c(sc(c1)C)C)C)C#N	PC-id_9383050	402.53	NAMFRPRMLUJFCP-LBPRGKRZSA-N	00000000100100000100000000000010000000000000000000000000	31-01-115676
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1c(sc(c1)C)C)C)C#N	PC-id_9383051	402.53	NAMFRPRMLUJFCP-GFCCVEGCSA-N	00000000100100000100000000000010000000000000000000000000	31-01-115677
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)CCc1sccc1)C)C#N	PC-id_8398158	402.53	WTCWYHFSEHZAIK-ZDUSSCGKSA-N	00000000100100000100000000000010000000000000000000000000	31-01-115678
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)CCc1sccc1)C)C#N	PC-id_8398159	402.53	WTCWYHFSEHZAIK-CYBMUJFWSA-N	00000000100100000100000000000010000000000000000000000000	31-01-115679
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(sc(c1)C)C)C)C#N	PC-id_84997081	402.53	NAMFRPRMLUJFCP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-115680
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCc1sccc1)C)C#N	PC-id_78685521	402.53	WTCWYHFSEHZAIK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-115681
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)C)C(=O)OC	PC-id_20414130	402.53	ATKYHUIBYLLOLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115682
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)C)C(=O)OC	PC-id_20414163	402.53	ZHFITZQQIUDJMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115683
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)c1ccc(cc1)C)C(=O)OC	PC-id_23964082	402.53	RKRALZOZLGCSJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115684
Cc1c(cc(cc1)N1CCN(CC1)C(C)C)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478342	402.532	QMLGKNXOYVRQQR-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-115685
CC(c1ccc(c2-c(c1)c(C)cc2N=NC1SC=C(N1[O-])c1ccccc1)C)C	PC-id_101332717	402.532	RZXJIFVAXJLUMK-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-115686
CC(C)c1ccc(cc1)CN1CCc2ncc(n2CC1)C(=O)NCc1ccccc1	PC-id_134806856	402.532	RUOJLBRQODYENL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115687
CC(N1CCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C)C	SCHEMBL13077357	402.532	QMLGKNXOYVRQQR-LGUFXXKBSA-N	00000010100010110111100000000010000000000000000000000000	31-01-115688
COCCN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc2n1CCCCC2	EMOLS-id_13486471,PC-id_17564663,MCULE-4553466566	402.532	VKDXGZXOAGUGGQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-115689
COCCN(C(=O)CSc1nnc2n1CCCCC2)[C@H]1CCS(=O)(=O)C1	PC-id_8379368,ZINC22_7280774,CoCoCo_4054335	402.532	VKDXGZXOAGUGGQ-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-115690
COCCN(C(=O)CSc1nnc2n1CCCCC2)[C@@H]1CCS(=O)(=O)C1	ZINC22_7280770,CoCoCo_4054334,PC-id_8379365	402.532	VKDXGZXOAGUGGQ-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-115691
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(CCn12)C(=O)C1=CCCC1	MCULE-6417597915,ChEMBL-DNDi_CHEMBL15377670,PC-id_45176604,EMOLS-id_20426755	402.534	MUXPBLDGLVJKAX-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-115692
Cc1sc2ncn(CCC(=O)Nc3nc4c(s3)CCCCC4)c(=O)c2c1C	MCULE-5617159924,EMOLS-id_44047897,CoCoCo_4595755,PC-id_24622826,ZINC22_22416735	402.534	FHOCLBNHKIFTSX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115693
CCc1n[nH]c2c1CN(CC(C2)CCc1n[nH]c2c1CN(C2)COC)CCOC	PC-id_134402274,SCHEMBL20033611	402.534	LHAIXJDUWKGVDS-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-115694
CCCc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1	MCULE-4744733574,CoCoCo_2965910,PC-id_135510837,CoCoCo_2965909,ZINC22_15912365,EMOLS-id_13361270,CoCoCo_2965911	402.534	OWQNAVGRYHRFBZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-115695
CC(C)(C)c1csc2ncc(C(=O)Nc3nc4CCCCCc4s3)c(=O)n12	MCULE-5762773929,PC-id_71706289,EMOLS-id_44208654,EMOLS-id_49406767,ZINC22_79481862,STOCK7S-32535	402.534	NNCBECNWGNWQGM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115696
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)C1=CCCC1)CC2	CoCoCo_1167980,ZINC22_11787835	402.534	MUXPBLDGLVJKAX-KRWDZBQOSA-N	00000011100000000101000000000010000000000000000000000000	31-01-115697
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)C1=CCCC1)CC2	ZINC22_11787834,CoCoCo_1167979	402.534	MUXPBLDGLVJKAX-QGZVFWFLSA-N	00000011100000000101000000000010000000000000000000000000	31-01-115698
CCNC(=NCC(c1ccc(o1)C)(O)C)NCCCc1nnc2n1CCCCC2	PC-id_111663759	402.534	OXPYTGTUHIEYDL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-115699
CCNC(=NCC(c1cc(oc1C)C)(O)C)NCCc1nnc2n1CCCCC2	PC-id_111660277	402.534	GDYLEZCMFKJOHX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-115700
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCOCc1ccco1	PC-id_111399201	402.534	VATODELFGPRDBR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-115701
COc1ccc(c2nc(CSc3nnc4n3CCCCC4)cs2)cc1OC	CoCoCo_3081332,MCULE-3275955137,EMOLS-id_43775464,ZINC22_6096935,PC-id_7876571	402.534	HYQSSVRYHZDWHS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115702
COc1cccc(c1OC)c1scc(n1)CSc1nnc2n1CCCCC2	MCULE-8006058501,EMOLS-id_257838607,PC-id_7877645	402.534	DLWYOPBROUOHMB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115703
COCCN1CC(Cc2n[nH]c3c2CN(C3)COC)Cc2c(C1)c(n[nH]2)C(C)C	SCHEMBL19297236	402.534	JNILLHODZJZNHE-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-115704
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccc([nH+]c1)N1CCO[C@@H](C1)C	GD-id_ZINC45978477	402.534	GWOCOVWFWIKPKG-CQSZACIVSA-O	00000000100010101101100000000010000000000000000000000000	31-01-115705
s1c(C[NH+]2C(CC(=O)NCc3n[nH]c4c3CCCCC4)C(=O)NCC2)ccc1	PC-id_74809580	402.534	FSEWRFDZADKSJI-UHFFFAOYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-115706
s1c(C[NH+]2[C@@H](CC(=O)NCc3n[nH]c4c3CCCCC4)C(=O)NCC2)ccc1	PC-id_42512338	402.534	FSEWRFDZADKSJI-SFHVURJKSA-O	00000000100110000101000000000010000000000000000000000000	31-01-115707
s1c(C[NH+]2[C@H](CC(=O)NCc3n[nH]c4c3CCCCC4)C(=O)NCC2)ccc1	PC-id_42512340	402.534	FSEWRFDZADKSJI-GOSISDBHSA-O	00000000100110000101000000000010000000000000000000000000	31-01-115708
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1	PC-id_8379481	402.534	KMRSGIBABQWXFV-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-115709
C1CCCc2c(CC1)n(nn2)C(=Cc1ccccc1)n1nnc2c1CCCCCC2	PC-id_139184142,7111650_OpenMolecule	402.535	JDZOXYKWXXVBFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115710
Cc1ccc(cc1)CN=C(Nc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111039189	402.535	VJVUHQSWPQKXJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115711
CN=C(NCc1nnc2n1CCCCC2)NCC(c1ccccc1)c1ccccc1	PC-id_111356884	402.535	ULBUDPPCYATJAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115712
N1(CC2C(NNC2)c2ccccc2)CCn2c(nnc2CCc2ccccc2)CC1	PC-id_74553982	402.535	AXCDYOYSVRYZCX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-115713
CCNC(=NCC(c1cnn(c1)C)(O)C)NCCCc1nnc2n1CCCCC2	PC-id_111656268	402.537	AUGZOEIDJRQUEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115714
s1c2CCCCCc2c(c1NC(=O)CSc1n(nnn1)C1CCCC1)C#N	PC-id_46640201	402.537	MZRCJBMWBZJWCB-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-115715
s1c2CCCCCc2nc1NC(=O)Cc1c(n2nc(SC)nc2nc1C)C	PC-id_26158193	402.537	GQEVEMIDUNVAFI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115716
CC(C)(C)OCC(CN1CCC(=O)N(Cc2c1ccs2)Cc1ccccc1)O	PC-id_134786361	402.55	CFALZGMVZZXHOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115717
s1c2CCCCCCc2cc1C(=O)NCC(N1CCOCC1)c1oc(cc1)C	PC-id_46523885	402.55	QMNXAPUEQWKWEC-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-115718
s1c2CCCCCCCCCCc2nc1NC(=O)COc1ccc(OC)cc1	PC-id_30377190	402.55	NNVGNMWEWXHPKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115719
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(OC)cccc1	PC-id_30377201	402.55	YMOHCVPLPRKWAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115720
Cc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408968979	402.552	FERRJDZLEJYELF-YZSQISJMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115721
c12CN(CCCn1nc(CNC(=O)COC)c2)Cc1ccc(C2CCCC2)s1	PC-id_72922009,EMOLS-id_46086173,MCULE-6639579535,ZINC22_91933300	402.553	LAIMOIIBSMFVCL-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-115722
CN(Cc1nnc2n1CCCCC2)S(=O)(=O)c1ccc(C2CCCCC2)cc1	CoCoCo_4490956,EMOLS-id_24018562,PC-id_40111107,MCULE-5105785325,ZINC22_32876279	402.553	KNFZNLPWPIDZFF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115723
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1c(n(nc1C)CC(C)C)C	PC-id_46656965	402.553	QCKFDVWDOLQHTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115724
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC(CCC1)C(=O)N(C)C)C#N	PC-id_56201192	402.553	BMIPVSLOSMXBPI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-115725
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)C(C)C)C#N	PC-id_24428728	402.553	HKZVKBUXXYWFCH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-115726
s1c2c(CCCCC2)c(c1NC(=O)C(N1CC(CCC1)C(=O)N(C)C)C)C#N	PC-id_56469666	402.553	VZQVVZKDKMCURR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-115727
s1c2c(CCCCC2)c(c1NC(=O)CN1CCC(NC(=O)C(C)C)CC1)C#N	PC-id_55849777	402.553	KCRHPSAAVFZZEH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-115728
S(c1n2CCCCCc2nn1)CC(=O)NCCCOc1c(c(cc(c1)C)C)C	PC-id_8379645	402.553	UQBNHHHDYUYHFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115729
S(c1n2CCCCCc2nn1)CC(=O)NCCOc1ccc(C(C)(C)C)cc1	PC-id_8379511	402.553	JGRSUEQLDBAVPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115730
c1ccc(cc1)CCc1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)N1CCCC1	GD-id_ZINC12219020	402.555	PNCLCUPDKJZTSG-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-115731
Cc1ccc(nc1)NC1=CC(C)(CNc2c1scc2)Cc1ccc(cc1)C(=C)N	PC-id_142051237	402.555	ZYLZTVKUPLJBCN-UHFFFAOYSA-N	00000000100000111110000000000010000000000000000000000000	31-01-115732
[NH+]1(CCn2c(nnc2CCc2ccccc2)CC1)C/C=C/c1ccc(N(C)C)cc1	PC-id_26345268	402.555	ANPFMFOWQIPSPK-RMKNXTFCSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115733
[NH+]1(CCn2c(nnc2CCc2ccccc2)CC1)CC=Cc1ccc(N(C)C)cc1	PC-id_74498853	402.555	ANPFMFOWQIPSPK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-115734
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(CCCSC)CCn12	EMOLS-id_232735368,PC-id_45930527,MCULE-7710961690	402.557	QIMYOWPJPCGUIP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115735
CC(C)c1nc(CC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cs1	PC-id_51115069,EMOLS-id_31939738,ZINC22_58208800,MCULE-8086775231	402.557	JGDCLRQDUNIHTG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-115736
CC(C(=O)NCc1cccs1)N1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_31379566,MCULE-9142094149,PC-id_47019559	402.557	XHJQANLISXOFGZ-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-115737
C[C@H](C(=O)NCc1cccs1)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_52403305,ZINC22_55528300	402.557	XHJQANLISXOFGZ-MRXNPFEDSA-N	00000000100110000101000000000010000000000000000000000000	31-01-115738
C[C@@H](C(=O)NCc1cccs1)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_55528299,PC-id_52403304	402.557	XHJQANLISXOFGZ-INIZCTEOSA-N	00000000100110000101000000000010000000000000000000000000	31-01-115739
CSCCCN1CCc2nnc([C@@H](NC(=O)c3ccccn3)C(C)C)n2CC1	ZINC22_12156580	402.557	QIMYOWPJPCGUIP-SFHVURJKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115740
CSCCCN1CCc2nnc([C@H](NC(=O)c3ccccn3)C(C)C)n2CC1	ZINC22_12156584	402.557	QIMYOWPJPCGUIP-GOSISDBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115741
s1c([C@H](N2CCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52274148	402.557	YLEIBIDRQPXJPZ-MRXNPFEDSA-N	00000010100100000101000000000010000000000000000000000000	31-01-115742
s1c([C@@H](N2CCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52274150	402.557	YLEIBIDRQPXJPZ-INIZCTEOSA-N	00000010100100000101000000000010000000000000000000000000	31-01-115743
s1c(C(N2CCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_75818393	402.557	YLEIBIDRQPXJPZ-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-115744
c1(NC(=S)Nc2ccccc2C)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4081451,CoCoCo_6800641,TIMTEC365030,ZINC22_5948054,MCULE-7475131759,PC-id_3301799	402.573	OSYLDIQOBWTYJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115745
c1(NC(=S)Nc2ccc(cc2)C)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_3301612,MCULE-8158525520,EMOLS-id_4081445,CoCoCo_6800633,TIMTEC365719,ZINC22_5948041	402.573	OTSGBRDNSZZSFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115746
c1(NC(=S)Nc2cccc(C)c2)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_3301619,MCULE-6510195433,EMOLS-id_4081449,CoCoCo_6800640,TIMTEC548541,ZINC22_5948050	402.573	XJRYZGCNPIRHQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115747
c1(NC(=S)NCc2ccccc2)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4081441,TIMTEC502312,PC-id_3275862,MCULE-1401627622,ZINC22_5979991,CoCoCo_6799969	402.573	VKAOBCVFWLDATQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115748
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(SC(C)C)cc1)C(=O)N	PC-id_16838778	402.573	NVFFCSCVMPVDHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115749
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(cc1)C)C(=O)N	PC-id_41086137	402.573	LHQWLPWFQJRVMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115750
s1c2c(CCCCC2)c(c1NC(=O)CCCSCc1ccccc1)C(=O)N	PC-id_41581774	402.573	QMENPSPHRIYBND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115751
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc(cc1C)C)C)C(=O)OC	PC-id_20410494	402.573	WGTZXMGDKVGLBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115752
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(c(cc1)C)C)C(=O)OCC	PC-id_19687192	402.573	GAEYDUPDJXVJAK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115753
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(c(ccc1)C)C)C(=O)OCC	PC-id_20410210	402.573	IKFHTISBMWFIIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115754
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc(cc1)C)C)C(=O)OCC	PC-id_20410265	402.573	VSVRERWSXSOPKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115755
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C)C)C(=O)OCC	PC-id_20410312	402.573	CHHCHYOUDCSXRC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115756
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C)C)C(=O)OCC	PC-id_20410357	402.573	UZWJFHBJFUYMHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115757
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cccc1C)C)C(=O)OCC	PC-id_20410426	402.573	YPLNSMFDEORMFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115758
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(CC)cccc1C)C(=O)OC	PC-id_20410581	402.573	IEHXNNIZYRDSAZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115759
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(CC)cccc1)C(=O)OCC	PC-id_20410716	402.573	LGIKKXUBJXQWSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115760
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(CC)ccc1)C(=O)OCC	PC-id_20410759	402.573	LVHWCFWDKIABQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115761
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(CC)cc1)C(=O)OCC	PC-id_20410809	402.573	NEEUWCKDOQXJJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115762
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(C(C)C)cc1)C(=O)OC	PC-id_20410841	402.573	IGSNANHTBPSJGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115763
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1)C(=O)OC	PC-id_20410916	402.573	HTIGOQSDYLUGEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115764
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(cc1)C)C)C(=O)OC	PC-id_19649884	402.573	CIEBRIMOKZGGDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115765
s1c2c(CCCCC2)c(c1NC(=S)NCc1ccc(cc1)C)C(=O)OCC	PC-id_19649329	402.573	CJFLKDMGVBFKDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115766
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccccc1)C)C(=O)OCC	PC-id_19649804	402.573	LNVPRPMVLPJARA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115767
s1c2c(CCCCC2)c(c1NC(=S)NCCc1ccccc1)C(=O)OCC	PC-id_19649909	402.573	SNCSMCFKXJFOFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115768
s1c2c(CCCCC2)c(c1NC(=S)NCCCc1ccccc1)C(=O)OC	PC-id_19650126	402.573	BSKGNFTXQCKMJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115769
s1c2c(CCCCC2)c(c1NC(=S)NC(CC)c1ccccc1)C(=O)OC	PC-id_19675357	402.573	QPMVFCKIPAQBFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115770
s1c2c(CCCCCC2)cc1C(=O)N1CCC(NC(=O)c2ccsc2)CC1	PC-id_56044129	402.573	BKCMOQLDIRCEAW-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-115771
s1c2CCCCCCc2cc1C(=O)N(CC(=O)Nc1c(SC)cccc1)C	PC-id_9426309	402.573	YCKVNTJDSPWIQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115772
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(c(cc1)C)C)C(=O)OC	PC-id_19687186	402.573	IRPTXHUKDDACGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115773
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(c(ccc1)C)C)C(=O)OC	PC-id_20410204	402.573	GVZMVCRSAYKKIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115774
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc(cc1)C)C)C(=O)OC	PC-id_20410259	402.573	RWPKIQDOBQKNNI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115775
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C)C)C(=O)OC	PC-id_20410306	402.573	SHXUPRZMYMUIFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115776
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C)C)C(=O)OC	PC-id_20410351	402.573	VDRBXHKIJYJIFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115777
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cccc1C)C)C(=O)OC	PC-id_20410419	402.573	HUUINWOHAOAVSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115778
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(CC)cccc1)C(=O)OC	PC-id_20410710	402.573	WHILZGXRWZGIIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115779
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(CC)ccc1)C(=O)OC	PC-id_20410753	402.573	LLKNOQKZEZZAAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115780
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(CC)cc1)C(=O)OC	PC-id_20410803	402.573	DLUBJZBIJVVNTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115781
s1c2c(CCCCCC2)c(c1NC(=S)NCc1ccc(cc1)C)C(=O)OC	PC-id_19649326	402.573	JXRHBZAKXAWWPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115782
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccccc1)C)C(=O)OC	PC-id_19649797	402.573	ZENZHQTVLIFBOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115783
s1c2c(CCCCCC2)c(c1NC(=S)NCCc1ccccc1)C(=O)OC	PC-id_19649905	402.573	LTOUVROIMUZTHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115784
s1c2CCCCCCc2nc1NC(=O)c1c(SCC2OCCC2)cccc1	PC-id_56020831	402.573	JNAOIYPLXJKNPY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-115785
Cc1c(cc(cc1)C(=CC(=C(C(=C)C)C(=NC)C)c1nnc2n1CCCCC2)C)C	PC-id_89953238	402.575	ALMMKTNMEOBBMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115786
C/N=C(C(=C(/c1nnc2n1CCCCC2)C=C(c1ccc(c(c1)C)C)/C)C(=C)C)/C	SCHEMBL15452501	402.575	ALMMKTNMEOBBMO-KXTFDVQSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115787
CN1CCC(CC1)C(=O)NC(c1nnc2n1CCN(CC2)CC1CCCCC1)C	ChEMBL-DNDi_CHEMBL15274587	402.577	KWZGLQWSZKQEEH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-115788
O=C(NCCc1nnc2n1CCCCC2)c1ccc(C2SCCCS2)cc1	ZINC22_42764636,PC-id_91641433,MCULE-3359554750,EMOLS-id_50301661	402.577	SQIMARIOFQWIOP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115789
O=C(c1cc2c(s1)CCCCCC2)N1CCC(C(=O)N2CCCCCC2)CC1	EMOLS-id_30234987,ZINC22_6987447,PC-id_8134574,MCULE-7646086933	402.593	GBRCXUUYYHPPPY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-115790
s1c(C(=O)N2CCC(CC2)C(=O)N2CCC(CC2)C)cc2c1CCCCCC2	PC-id_52718010	402.593	BMWNTBAVVCBWCZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-115791
s1c(C(=O)N2CCC(CC2)C(=O)N2CC(CCC2)C)cc2c1CCCCCC2	PC-id_55662293	402.593	NWVZAOPSNFNXTN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-115792
CC(c1nn(c2c1COC(C2)(C)C)C)CC1CSCc2c(C1)[nH]nc2C(C)C	PC-id_134224709,SCHEMBL19831869	402.597	IKBRIXUVVGFPPP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-115793
CCCN(CC1CCN(C1)C(C(=O)Nc1sc2c(c1C#N)CCCCC2)C)C	EMOLS-id_42919634,MCULE-9605619475,PC-id_72111217	402.597	HOBKPAAZXPEGQH-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-115794
CCCN(C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	PC-id_95785981,ZINC22_72308818	402.597	HOBKPAAZXPEGQH-IRXDYDNUSA-N	00000010100000000100000000000010000000000000000000000000	31-01-115795
CCCN(C)C[C@@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	PC-id_98768465,ZINC22_106922519	402.597	HOBKPAAZXPEGQH-SJORKVTESA-N	00000010100000000100000000000010000000000000000000000000	31-01-115796
CCCN(C)C[C@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	PC-id_98768466,ZINC22_106922520	402.597	HOBKPAAZXPEGQH-IAGOWNOFSA-N	00000010100000000100000000000010000000000000000000000000	31-01-115797
CCCN(C)C[C@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC22_72308819,PC-id_95785982	402.597	HOBKPAAZXPEGQH-DLBZAZTESA-N	00000010100000000100000000000010000000000000000000000000	31-01-115798
CCN(CC)CC1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC22_58296479,EMOLS-id_32173959,PC-id_51135831,MCULE-9842511181	402.597	INLDDEXLIGTWHQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-115799
Cn1nc(c2c1CC(C)(C)OC2)C(C1CSCc2c(C1)[nH]nc2C(C)C)(C)C	SCHEMBL21385758,PC-id_139513730	402.597	IIHCFTAGWYTCFM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-115800
O=C(NC(c1n2CC[NH+](CCC3=C(CCCC3(C)C)C)CCc2nn1)C)C(C)C	PC-id_74793593	402.597	JHNXZDPRHOVKEL-UHFFFAOYSA-O	00000000100011000101000000000010000000000000000000000000	31-01-115801
O=C(N[C@H](c1n2CC[NH+](CCC3=C(CCCC3(C)C)C)CCc2nn1)C)C(C)C	PC-id_42380762	402.597	JHNXZDPRHOVKEL-SFHVURJKSA-O	00000000100011000101000000000010000000000000000000000000	31-01-115802
O=C(N[C@@H](c1n2CC[NH+](CCC3=C(CCCC3(C)C)C)CCc2nn1)C)C(C)C	PC-id_42380765	402.597	JHNXZDPRHOVKEL-GOSISDBHSA-O	00000000100011000101000000000010000000000000000000000000	31-01-115803
CCNC(=NCC(c1cccs1)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111582080	402.6	BTFXWEQZHWTBFU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-115804
CCNC(=NCC(Cc1cccs1)C)NCCCc1nnc2n1CCCCC2	PC-id_111673636	402.6	ZGZNJGCWQLZVJG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-115805
CCNC(=NCCCc1nnc2n1CCCCC2)NC(Cc1ccc(s1)C)C	PC-id_109513597	402.6	MZPGYIBBUQVHEH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-115806
OOC(N(C(C)(C)C)[O])c1c2-c(c(c1[Si](C(C)(C)C)(C)C)CC)ccccc2	PC-id_140655877	402.622	KORHNIIOQLNLOM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-115807
CCCCCCCC1CC(CCCCCCC)CC(C)c2nc(C(C1)C)[nH]c2C	PC-id_53707073,SCHEMBL501650	402.699	BXXPICQYDVQFJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115808
c1(cc(Cl)c(=O)n(CC(=O)NCc2c3CCCCCc3[nH]n2)c1)C(F)(F)F	ZINC22_670440806,EMOLS-id_222758051,MCULE-6903443184	402.799	QYPJJDUNCSAGGO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115809
Clc1c(SC(F)F)c(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56367251	402.847	PVOVSVSECGONDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115810
Cc1c(c(no1)c1ccccc1Cl)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625413	402.855	UNOCNMFZEOAQPC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115811
CN1C(=O)CCCc2occ(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)c12	ZINC22_2325822808	402.871	PZXIODAXMWVLMX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-115812
c1(C(=O)Nc2c(Cl)ccc(c2)C(=O)N2CCOCC2)c2CCCCCc2[nH]n1	EMOLS-id_323254971,MCULE-1339591297	402.875	WDTIIEAXRNABMQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115813
Clc1ccc(/C=C/2CCCCc3c2[nH]nc3OC(=O)NN2CCOCC2)cc1	PC-id_66647690,SCHEMBL300757	402.875	CKFBELHKICXTJG-FYWRMAATSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115814
Clc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC2OCCC2)cc1	PC-id_50797950	402.875	CMLRYIWFEGPZAG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-115815
Clc1cc2[nH]c(nc2cc1)[C@@H](NC(=O)c1nc2n(CCN(CC2)C)c1)COC	PC-id_70285125,SCHEMBL8137242	402.878	SVKBDSFFFUKMTP-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115816
Clc1cc2[nH]c(nc2cc1)[C@@H](NC(=O)c1nn2c(CCN(CC2)C)c1)COC	PC-id_70282966,SCHEMBL8130043	402.878	JSTYBEAWFHHILQ-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115817
Clc1cc2[nH]c(nc2cc1)C(NC(=O)c1nc2n(CCN(CC2)C)c1)COC	PC-id_77811354	402.878	SVKBDSFFFUKMTP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115818
Clc1cc2[nH]c(nc2cc1)C(NC(=O)c1nn2c(CCN(CC2)C)c1)COC	PC-id_77810859	402.878	JSTYBEAWFHHILQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115819
Clc1ccccc1CN1CCc2nnc(CNC(=O)C3CCC(=O)N3)n2CC1	EMOLS-id_20678657,MCULE-3340801286,PC-id_45235328	402.878	VABHKOXQLMXWGD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-115820
Clc1cc(CN2CCn3c(nnc3CNC(=O)C3NC(=O)CC3)CC2)ccc1	PC-id_45207634	402.878	OPZGPUIVLUITKK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-115821
O=C1CC[C@@H](C(=O)NCc2nnc3n2CCN(Cc2ccccc2Cl)CC3)N1	CoCoCo_1537646,CoCoCo_1537645,ZINC22_20233893	402.878	VABHKOXQLMXWGD-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-115822
O=C1CC[C@H](C(=O)NCc2nnc3n2CCN(Cc2ccccc2Cl)CC3)N1	CoCoCo_1537648,CoCoCo_1537647,ZINC22_20233897	402.878	VABHKOXQLMXWGD-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-115823
Clc1ccc(c(c1)F)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3538138,EMOLS-id_16689699,PC-id_8500372,MCULE-9986881244	402.891	YYEUJQUJTOIPIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115824
Clc1cc(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)ccc1F	PC-id_8500346	402.891	ZXCJRLPEBIZWCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115825
Clc1c(F)c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_60531619	402.891	YPBPTXWKHCGQNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115826
Clc1c(CC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cccc1	PC-id_24381168	402.894	SROFESRPJXMDFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115827
Clc1c(C(=O)OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)cccc1	PC-id_55417795	402.894	KRSQQZSULHOUGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115828
N#Cc1c(NC(=O)COC(=O)Cc2ccc(Cl)cc2)sc2c1CCCCC2	CoCoCo_2924577,PC-id_4517014,ZINC22_6883142,EMOLS-id_3278495,MCULE-5231744595	402.894	FWHSUZSULNMWBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115829
c1(NC(=O)CCc2onc(c3ccc(cc3)Cl)n2)sc2c(CCCCC2)n1	EMOLS-id_323255975,MCULE-1031432015	402.898	SQAABUCIVWNATR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115830
O=C(O)Cc1sc(Cc2nnc3n2CCCCC3)nc1c1ccc(Cl)cc1	PC-id_17426167,MCULE-2483221581,CoCoCo_3890599,ZINC22_8718154,EMOLS-id_11985610	402.898	OSWDQZHWWIZUEH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115831
C/C=C(C=C(/C(=C)OCC(C)C)Cn1cc2c(n1)CC=CC(=C2)C(=O)OC)/Cl	SCHEMBL20628639,PC-id_137397190	402.914	MBAAICQFXMHYBJ-QJJGHQGNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-115832
Clc1cc(C2(CCOCC2)C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_60569104	402.918	MJWRDXBLKMSHKM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115833
Clc1ccc(C2(CCCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_60573228	402.918	IROMLWAREUKUEL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-115834
O=C(c1n[nH]c2c1CCCCC2)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1	ZINC22_682809914	402.918	CDFILOFLSXAQTC-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-115835
O=C(c1n[nH]c2c1CCCCC2)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1	ZINC22_682809917	402.918	CDFILOFLSXAQTC-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-115836
Clc1n(cnc1S(=O)(=O)NNC(=O)c1sc2CCCCCCc2c1)C	PC-id_46594214	402.919	FNKDKFZMYMNXBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115837
Clc1n(nc(c1S(=O)(=O)NNC(=O)c1sc2CCCCCc2c1)C)C	PC-id_52258156	402.919	NRHRWGLLUZBVJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115838
Clc1cc(N2CCN(CC2)C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52220582	402.921	AOEQQMZZXCNIDS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115839
CN=C(NC1CCN(C1)c1ncccc1Cl)NCc1nnc2n1CCCCC2	PC-id_109722167	402.924	KEBQORSIJLOMLF-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-115840
c1(NC(=O)CCCOc2ccc(cc2C)Cl)sc2c(CCCCC2)c1C#N	EMOLS-id_1240257,CoCoCo_91678,PC-id_1739939,BAS-00544722,MCULE-9532397336,SPECS-id_AK-968/11369752,ZINC22_2080210	402.938	GUTVXBXTNRHXDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115841
c1(NC(=O)C(C)Oc2ccc(cc2C)Cl)sc2c(CCCCCC2)c1C#N	SPECS-id_AK-968/11842306,MCULE-2329734034,PC-id_4212644,TIMTEC494079,EMOLS-id_1094338	402.938	VAUIKRCUVDVMES-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115842
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2	CoCoCo_1693984,PC-id_1740742,ZINC22_2081413	402.938	VAUIKRCUVDVMES-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115843
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCCC2	PC-id_1740743,ZINC22_2081414,CoCoCo_1693983	402.938	VAUIKRCUVDVMES-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115844
CC[C@@H](c1nc2c([nH]1)cc(cc2)Cl)NC(=O)c1cc2c(s1)CCN(CC2)C	PC-id_145508644	402.941	RKRDFZLTMOZDJL-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115845
CCC(C1CCCCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)(C)C)C(=O)O	PC-id_67434537,SCHEMBL2511194	402.957	MLGDNLIFMQLUTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115846
CCOC(=O)CC1CCCCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)(C)C	SCHEMBL12199285,PC-id_58460191	402.957	MRMJKZQXCPFDNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115847
Clc1cc(c(C2(O)CCN(CC2)CCCc2n3CCCCCc3nn2)cc1)C	PC-id_59939422,SCHEMBL7960165	402.961	NACFPNPCINPVQI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115848
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)Cl)C	PC-id_111293765	402.964	YQMLBUDJXGSBBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115849
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccccc1Cl)C	PC-id_111294643	402.964	SDGBMFGNQXFLMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115850
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1cccc(c1)Cl)C	PC-id_111305479	402.964	MYFPNDUUPVNKMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115851
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1ccccc1Cl)C	PC-id_111319460	402.964	IIZBLKGHUTYQJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115852
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1cccc(c1)Cl)C	PC-id_111319602	402.964	XILAERSKQDZDSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115853
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1ccc(cc1)Cl)C	PC-id_111319790	402.964	ZYFZHLQMMMZFJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115854
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccc(cc1)Cl	PC-id_111196550	402.964	CYIYDRLBLJOOLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115855
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1cccc(c1)Cl	PC-id_111357996	402.964	DPXDENAOLWAULG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115856
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccccc1Cl	PC-id_111882737	402.964	HCHBOSMBPZIQIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115857
CN=C(NCC(Cc1cccc(c1)Cl)(C)C)NCc1nnc2n1CCCCC2	PC-id_109668033	402.964	UYTYJTVHODQTHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115858
C1CN(CCN1CCCCC2CNSC3=C(C2=O)C=CS3)C4=NC=CC=N4	PC-id_154344880	403.15	CXQCPMWOUXTFNH-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-115859
CN1C2=CC=NN2CC[C@@H](C1=O)NC(=O)C3=NNC(=N3)CC4CC=CC(=C4F)F	PC-id_146715686	403.157	RDJHROCHIUREKM-KFJBMODSSA-N	00000000100011000101000000000010000000000000000000000000	31-01-115860
CN1C=C(C=CN2C1=CC(=N2)C=CCO)NC(=O)C3=NN(C=N3)CC4=CC=CC=C4	PC-id_154021405	403.176	IHHPUZWWLXFZFV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115861
CC(C)OC(=O)CCC(=O)C1C[C@@H]([C@H](C2=C(C(C1)(F)F)N=NN2C)OC)OC	PC-id_155054561	403.192	RBJFJLBJQXPXTE-GRLMSTMOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115862
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC=C(O3)C	PC-id_155203711	403.211	PPOFAZAEPQYKPJ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-115863
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=COC(=C3)C	PC-id_155203876	403.211	TXKHSLDKZWFFCP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-115864
CC1=NN2CC[C@@H](C(=O)N(C2=C1)C)NC(=O)C3=NN(C=N3)CC4CCC(C4)(C)F	PC-id_146852085	403.213	SIWDHVYJHLIZAM-BIWSTMPVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-115865
CCc1nn(c2c1C(=O)NCCCOCCC2)CCCOC(=O)c1n[nH]c(c1)C	PC-id_163553686	403.222	FLFRRULWZYTBID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115866
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC=NN3C	PC-id_155203742	403.222	INIWWANCTCMZTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115867
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CN=CN3C	PC-id_155203882	403.222	PRYRTPIKLQGKCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115868
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NC=CN3C	PC-id_155203710	403.222	NFZNSMFVNJFWBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115869
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)C3=NN(C(=C3)C)C	PC-id_155203878	403.222	OCWMLHUPMLHSNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115870
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)CC3=NNC(=C3)C	PC-id_155203716	403.222	UGXUCYBMQIMYIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115871
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3=CN(C=N3)C	PC-id_155171338	403.222	LIWMAKZQKLEKQN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115872
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(C3=C(CC=C3)C)O	PC-id_155203622	403.247	ZRYPJZMWRSTJGQ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-115873
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(C3=CC=C(C3)C)O	PC-id_155203745	403.247	DSALONQYKJYUFZ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-115874
Brc1c2oc(C(=O)NCCc3n4CCCCCc4nn3)cc2ccc1	PC-id_52183969	403.273	CTOLDVSQFHZQPH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115875
Brc1cc2c(c(oc2cc1)C(=O)NCc1n2CCCCCc2nn1)C	PC-id_24646556	403.273	CNDPDDIRYCMNGK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115876
Brc1c(C=C(c2n3CCCCCc3nn2)C#N)cc(OC)c(OC)c1	PC-id_78565664	403.273	CUBPMXLXDHYPSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115877
Brc1c(/C=C(/c2n3CCCCCc3nn2)C#N)cc(OC)c(OC)c1	PC-id_7911815	403.273	CUBPMXLXDHYPSI-MDWZMJQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-115878
BrC1=CC(=CC(=C2N3CCCCCC3=NN2)C#N)C=C(OCC)C1=O	PC-id_16242002	403.273	HBBHQSSLZCHMFV-UHFFFAOYSA-N	00000011000011000111000000000010000000000000000000000000	31-01-115879
BrC1=C/C(=C/C(=C/2N3CCCCCC3=NN2)/C#N)/C=C(OCC)C1=O	PC-id_45794113	403.273	HBBHQSSLZCHMFV-ZVRSJVCFSA-N	00000011000011000111000000000010000000000000000000000000	31-01-115880
BrC1=C/C(=C/C(=C/N3CCCCCC3=NN2)/C#N)/C=C(OCC)C1=O	PC-id_6174762	403.273	HBBHQSSLZCHMFV-XZYCYSTLSA-N	00000011000011000111000000000010000000000000000000000000	31-01-115881
CCOc1c(c(cc(c1)/C=C(C#N)/c1nnc2n1CCCCC2)Br)O	PC-id_135607272,CoCoCo_3456464	403.273	YJEQYUDAXARTCX-MDWZMJQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-115882
CCOc1cc(cc(c1O)Br)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3456465	403.273	YJEQYUDAXARTCX-JYRVWZFOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115883
CCOc1cc(cc(c1O)Br)C=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_26092979,MCULE-5677505810	403.273	YJEQYUDAXARTCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115884
CCC/C(=Cc1nc(c2n1CCCN(C2)C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)/C	PC-id_163933203	403.295	RKMAXEINZWYXMV-RXHHAWBHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115885
Brc1cc(Cc2cc3-c(c2)ccccc3)ccc1OCc1ccccc1	SCHEMBL5276838,PC-id_58786148	403.311	WTAYPGAYXOCBKI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-115886
BrCCCCCn1c2c(C(=O)CCN(C2=O)Cc2ccccc2)cc1	PC-id_20085252,SCHEMBL6987269	403.313	CXAFMJDOZJEFGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115887
Brc1ccc(C2(CC2)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55534614	403.316	YAZOQQZYHOIVAH-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-115888
CCCOCn1c(Br)cc2c1C(=O)N(COCCS)CCC2=C	PC-id_141835851	403.334	GVVBHEIRTDXTSE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-115889
Clc1c(c2-c(c1C)ccc(cc2)C#Cc1ccc2-c(c(c(Cl)c2C)C)cc1)C	PC-id_59078026	403.343	PELKFEKIEAHVOC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-115890
CC/C=C/1C(=C/C=CC)N(SI)CCc2c1scc2	PC-id_142512245	403.345	HSHXONZZJAUONA-XHIMGSNHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-115891
c1(NC(=O)c2cc(sc2Cl)Cl)sc2c(CCCCC2)c1C(=O)NC	PC-id_7190295,CoCoCo_5058686,EMOLS-id_5523557,ZINC22_4326521,MCULE-5446703347	403.346	XGGICESYPXPPLN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-115892
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(OC(F)F)cccc1	PC-id_19523718	403.346	VZBTYMIFQAONQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115893
FC(F)(F)c1n2CCCN(Cc2nn1)C(=O)C[C@H](N)Cc1c(F)ccc(F)c1	SCHEMBL3844850,PC-id_11258174	403.35	WIJRWFDATGVAFZ-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115894
FC(F)(F)c1n2CCCN(Cc2nn1)C(=O)CC(N)Cc1c(F)ccc(F)c1	PC-id_72772575	403.35	WIJRWFDATGVAFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115895
FC(F)(F)c1n2CCN(CCc2nn1)C(=O)C[C@H](N)Cc1c(F)ccc(F)c1	PC-id_11281120,SCHEMBL3840450	403.35	NYFDVYXZLJJWSW-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115896
FC(F)(F)c1n2CCN(CCc2nn1)C(=O)CC(N)Cc1c(F)ccc(F)c1	PC-id_72782095	403.35	NYFDVYXZLJJWSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115897
FC(F)(F)c1cc(C(=O)N2CC(c3c([nH]c(c3)C#N)C(=C2)C(=O)O)(C)C)ccc1	SCHEMBL4229515,PC-id_68965834	403.355	FNADCUXBHNPLIG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-115898
c1(cn2c(C(=O)NCCC2)c1)S(=O)(=O)NCc1ccc(cc1)OC(F)(F)F	EMOLS-id_33086426,PC-id_53182827,MCULE-8281345755	403.376	XTZSCVWPNBVTSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115899
CCCCNC(=O)ONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O	PC-id_141055244	403.386	GMHMIMRFWNKTEA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-115900
O=C1[C@H](CCn2c(N1C)ccn2)NC(c1ncn(n1)Cc1cccc(c1F)F)O	SCHEMBL19659315	403.386	FBEPGTIDIBCCJC-CWQZNGJJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115901
OC1[C@@H](CCn2c(N1C)cnc2)NC(=O)c1ncn(n1)Cc1c(F)cccc1F	SCHEMBL19659703	403.386	CTIWXHUEMLFTBI-IKJXHCRLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115902
C1Cn2cc(nc2OCCN1C(=O)c1cccc(c1)c1ccc(cc1)C#N)[N+](=O)[O-]	SCHEMBL14965998,PC-id_89580325	403.391	QTNGBFWYKHXFQU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115903
CC1CCc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)(F)F)F)C	PC-id_139471010,SCHEMBL21337003	403.394	FBPBSHAXNIRQTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115904
C[C@H]1CCc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1F)C(F)F)F)C	PC-id_139471404,SCHEMBL21337401	403.394	OXUPROQFLUPPDX-CFVSVONXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115905
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)Nc2cccc(c2)n2cccn2)n1	ZINC22_35316979,EMOLS-id_30553257,MCULE-8784876882,PC-id_46951706,ASN-22967095	403.401	UOLJSQFRQFBKFC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115906
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1oc([N+](=O)[O-])cc1)C)C#N	PC-id_18225177	403.409	IHLZZRGVLQQBTR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-115907
O=C(Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)N)CNC(=O)O	PC-id_144077559	403.412	YHDVKBDBMMALNU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-115908
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625445	403.416	NZVWRTZKZFXAPT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115909
CO[C@H]1CC(CC(c2c([C@@H]1OC)n(nn2)C(C)C)(F)F)C(=O)CCC(=O)OC	SCHEMBL20998956,PC-id_138632059	403.421	KNILXRJVYUTOPE-GRLMSTMOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115910
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19702825	403.422	FNKNBOGEOSKRRB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115911
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1F)F)C	SCHEMBL19702837	403.422	CBUSXBARPSXZJP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115912
CCOC(=O)C1=CN(CC(C)(C)c2c(CC)n[nH]c12)C(=O)c1ccc(F)c(F)c1	SCHEMBL17777944,BindingDB-id_731722,PC-id_121358872	403.422	QBKTWHMLVXBWGQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-115913
COC(=O)c1c2OCC(COc2c(n1Cc1ccc(cc1)OC)C(=O)OC)(C)C	PC-id_101760667	403.426	TVHUOOFQZUDVGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115914
OC(=O)[C@H]1[C@@H](Cc2ccc3-c2ccccc3)C(=O)N1C(C(=O)O)Cc1ccccc1	PC-id_140404172	403.427	NWPLQJHCMCRMRN-GIBKCMNESA-N	00001010100000110110000000000010000000000000000000000000	31-01-115915
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(NC(=O)OCCOC)ccc1	PC-id_56074400	403.432	DACDRJMUIJJFKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115916
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(OC)c(OCC(=O)N)cc1	PC-id_55866917	403.432	MSEONWVSEAWCRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115917
c1(n(C)ccc(=O)c1OCc1ccccc1)C(=O)N1CCCn2nc(C#N)cc2C1	MCULE-6966783899,ZINC22_2356166818,EMOLS-id_337791105	403.434	AYWQTMSAJQAUIQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-115918
n1(c2ccccc2oc1=O)CC(=O)N1CCn2c(CC1)nnc2Cc1ccccc1	ZINC22_12279448,MCULE-3105232079,EMOLS-id_20658291,PC-id_42499555,CoCoCo_1506570	403.434	BBXUBBMQWSZGIR-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-115919
Cc1cc2[nH]cc(C(=O)N3CCc4nc(Cc5ccccc5)nn4CC3)c(=O)n2n1	ZINC22_2356152179,EMOLS-id_337788239,MCULE-7022498185	403.437	DDUFSXMLTBQIQG-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-115920
c1(C(=O)NCc2cccc(F)c2F)cn2c(CCN(Cc3cnsc3)CC2)n1	EMOLS-id_336511672,MCULE-4925976726,ZINC22_1940196553	403.449	RUOCZSNGGWYDPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115921
CN(CCNC(=O)c1cc(c2-c1ccccc2)/C=C
/C(=O)Nc2c1cc(F)cc2)C	SCHEMBL13324663	403.449	RBIPVMONFWQSSC-FYJGNVAPSA-N	00000010100000100110000000001010000000000000000000000000	31-01-115922
COC(=O)c1c(NC(=O)COC(=O)c2ccccc2O)sc2c1CCCCC2	CHEBI:121777,ZINC22_3314136,MCULE-7214842653,CoCoCo_3034246,CHEMBL1352717,PC-id_2429905,EMOLS-id_42602108,ChEMBL-DNDi_CHEMBL1352717	403.449	IUCLIZICDPQNIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115923
COC(=O)c1c(NC(=O)COC(=O)c2ccc(O)cc2)sc2c1CCCCC2	CHEMBL1543881,MCULE-6587883247,EMOLS-id_3104879,CoCoCo_3031447,PC-id_2367057,ChEMBL-DNDi_CHEMBL1543881,ZINC22_3249951	403.449	UXBDJKKPRKBRLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115924
Fc1cc2C(=Cc3c4-c(c(c3)C(=O)NCCN(C)C)ccccc4)C(=O)Nc2cc1	PC-id_59301636	403.449	RBIPVMONFWQSSC-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-115925
s1c2c(CCCCC2)c(c1NC(=O)COc1cc2OCOc2cc1)C(=O)OC	PC-id_8361471	403.449	WZERSGSKDMYGQC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-115926
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C=Cc1occc1)C(=O)OC	PC-id_3652690	403.449	QTOUMLUFRPCHBK-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-115927
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)/C=C/c1occc1)C(=O)OC	PC-id_5886321	403.449	QTOUMLUFRPCHBK-MDZDMXLPSA-N	00000000101000000100000000000010000000000000000000000000	31-01-115928
CC(Oc1ccc(c(c1)F)NC(=O)C(=O)NCCc1nnc2n1CCCCC2)C	GD-id_ZINC52334759	403.451	JLYSXHMUJLRUNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115929
c1(cc2c(ccc(F)c2)[nH]1)C(=O)N1CCn2c(CC1)nc(CCc1ccccc1)n2	MCULE-2485126730,ZINC22_2100545186,EMOLS-id_337695442	403.452	ITOLGZDTRQFSOY-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-115930
C1CN(CCn2c1nnc2Cc1cnccc1)Cc1ccc(o1)c1ccccc1F	PC-id_135109862	403.452	YXOHOBHTFNOGMD-UHFFFAOYSA-N	00000000101000111101100000000010000000000000000000000000	31-01-115931
c1(NC(=O)c2ccc(c(c2)N(=O)=O)OCC)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_1772576,ChEMBL-DNDi_CHEMBL7729443,PC-id_2200391,ZINC22_2845816,MCULE-7125738574,CoCoCo_974464	403.452	WQDRDNPGRIJELP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115932
c1(NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_541839,ZINC22_2872644,ChEMBL-DNDi_CHEMBL7946429,MCULE-1661322230,PC-id_2225279,EMOLS-id_2496975,TIMTEC504140	403.452	VMBPOKBYOMGODI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115933
c1(NC(=O)c2nccnc2C(=O)O)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-7588364039,PC-id_53270952	403.452	FULZOMVMGDWWOY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-115934
c1(NC(=O)COc2ccc(cc2N(=O)=O)C)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_2496941,MCULE-8436346545,TIMTEC541815,PC-id_6456652,CoCoCo_541787,ZINC22_6690884	403.452	XCEYYOYUEUFYBH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115935
c1(NC(=O)C(=O)NN=Cc2ccco2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_2029865,MCULE-7601190729	403.452	DGBLASLNLAXSEU-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-115936
CCOC(=O)c1c2CCCCCc2sc1NC(=O)C(=O)N/N=C/c1ccco1	PC-id_6890533,STOCK4S-80998,EMOLS-id_26350814	403.452	DGBLASLNLAXSEU-RGVLZGJSSA-N	00000000101000000100000000000010000000000000000000000000	31-01-115937
COc1cc(cc(c1OC)OC)C=CC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625374	403.452	OLCSXPBSKXMIFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115938
s1c2CCCCCc2cc1C(=O)NN=Cc1c([N+](=O)[O-])cc(OC)c(OC)c1	PC-id_78620784	403.452	MKCGUHCPUUYWJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115939
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(OCC)cc1	PC-id_9392672	403.452	QKDZBXFABZTRLG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115940
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ncc(nc1)C)C(=O)OC	PC-id_2689428	403.452	YSSYEZRPDZNTSR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-115941
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCN1C(=O)CCC1=O)C#N	PC-id_25631858	403.452	HYHULGOPMVMUBT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-115942
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(OC)cc1	PC-id_24643147	403.452	RGMRINMHEYAOIU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115943
s1c2CCCCCCc2cc1C(=O)NNC(=O)COc1cc([N+](=O)[O-])ccc1	PC-id_55616638	403.452	PTUSOBOPNMNGCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115944
s1c2CCCCCCc2cc1C(=O)NNC(=O)COc1c([N+](=O)[O-])cccc1	PC-id_25443746	403.452	YRSCBTOPBKOWEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115945
s1c2CCCCCCc2nc1NC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OCC	PC-id_60572126	403.452	NMTZLVKDXFWOQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115946
S1C[C@H](N[C@H](CCc2ccccc2)C(=O)O)C(=O)N(n2c1ccc2)CC(=O)O	PC-id_10001224	403.452	MAXMVHKZGMHDBR-CABCVRRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-115947
S1C[C@H](N[C@@H](CCc2ccccc2)C(=O)O)C(=O)N(n2c1ccc2)CC(=O)O	PC-id_10453797	403.452	MAXMVHKZGMHDBR-GJZGRUSLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115948
S1CC(NC(CCc2ccccc2)C(=O)O)C(=O)N(n2c1ccc2)CC(=O)O	PC-id_85088455	403.452	MAXMVHKZGMHDBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115949
S1CC(NC(=O)OCc2ccccc2)C(=O)N(n2c1ccc2)CC(=O)OCC	PC-id_23252870	403.452	BOHACWSSVCMBRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115950
Cc1noc(C)c1S(=O)(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	EMOLS-id_97099600,MCULE-1453016411	403.455	VLFRXDVZKCNZAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115951
Fc1ccccc1n1cc(CN2CCc3nnc(Cc4cccnc4)n3CC2)cn1	MCULE-4047934971,EMOLS-id_232859482,ZINC22_826629856	403.455	BKKWCPFRDPJOJN-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-115952
P(=Nc1cc2-c(c1)ccccc2)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_85691381	403.455	LLJSZVOWMHTUET-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-115953
O=C(c1sc2c(c1)CCCCCC2)OCC(=O)N1CCCC(C1)C(F)(F)F	MCULE-5875944512,PC-id_71888069,EMOLS-id_44544400	403.459	MYQOMBXJCXWDCT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-115954
O=C(OCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cc2c(s1)CCCCCC2	PC-id_97010564,ZINC22_84338901	403.459	MYQOMBXJCXWDCT-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-115955
O=C(OCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cc2c(s1)CCCCCC2	ZINC22_60697528,PC-id_94868242	403.459	MYQOMBXJCXWDCT-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-115956
s1c2CCCCCc2c(c1NC(=O)CCN(CCCO)CC(F)(F)F)C#N	PC-id_60256440	403.462	WALOGRACHAFOCM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-115957
s1c2CCCCCCc2cc1C(=O)OCC(=O)c1c(F)cc(NC(=O)C)cc1	PC-id_8219454	403.467	YSSFLZBYDFPFOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115958
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)C2(F)CCC2)c1	ZINC22_1565554128,EMOLS-id_313725399	403.47	KNMUHKWQJBOAEF-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-115959
O=C(NNC(=O)c1cc2c(s1)CCCCC2)CNC(=O)Cc1cccc(c1)F	EMOLS-id_44130294,PC-id_45909314,MCULE-7900820112,CoCoCo_4938047	403.47	WAZTXRNZHAQOLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115960
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)C)ccc1F	PC-id_60566828	403.47	WKSZHWJRZKVORU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115961
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1ccc(F)cc1	PC-id_46656719	403.47	HYAOIECRCVTSEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115962
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1c(F)cccc1	PC-id_25444095	403.47	HJXKDUSCNWHRQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115963
CN=C(N1CCN(CC1)c1cc(F)ccc1F)NCc1nnc2n1CCCCC2	PC-id_109450437	403.472	ZRKYSJRWJWNUBD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-115964
CN=C(NC1CCN(C1)c1c(F)cccc1F)NCc1nnc2n1CCCCC2	PC-id_109612836	403.472	CSCAMEKKXNUACL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-115965
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)NCc1occc1	PC-id_27522653	403.472	CWLRSMJEWXUBAG-UHFFFAOYSA-M	00000000101000000100000000000010000000000000000000000000	31-01-115966
COc1ccc(NC(=O)c2ccc3CCN(CCn23)C(=O)Cc2ccccc2)cc1	EMOLS-id_313772493,ZINC22_585111067	403.474	ZUUOOKPFJPNMHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115967
O=C(N1CC(Cn2c(C1)cc(c2)C(=O)NO)(C)C)c1ccc(cc1)c1ccccc1	SCHEMBL12210920,PC-id_58465609	403.474	MPYBIPBWBOCCGP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-115968
O=C(Nc1cccc2c1cc([nH]2)C(=O)c1cc2c([nH]1)CC=CC=C2C)COC(C)C	PC-id_142529092	403.474	LCKWCSWELCEBQY-UHFFFAOYSA-N	00000000100000100110000001100010000000000000000000000000	31-01-115969
CCC(C)C(=O)NCc1nnc2CCN(CCn12)C(=O)C1=CC(=O)CC(C)(C)O1	PC-id_45191822,EMOLS-id_20492563,MCULE-5916553116	403.475	NJNNFOPYRDVAFK-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-115970
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(C(=O)C1=CC(=O)CC(C)(C)O1)CC2	CoCoCo_1260604,ZINC22_11996040	403.475	NJNNFOPYRDVAFK-CYBMUJFWSA-N	00000000100011000101000000000010000000000000000000000000	31-01-115971
CC[C@H](C)C(=O)NCc1nnc2n1CCN(C(=O)C1=CC(=O)CC(C)(C)O1)CC2	ZINC22_11996041,CoCoCo_1260605	403.475	NJNNFOPYRDVAFK-ZDUSSCGKSA-N	00000000100011000101000000000010000000000000000000000000	31-01-115972
COCCC(=O)NC(c1nnc2n1CCN(CC2)Cc1cc(OC)ccc1O)C	ChEMBL-DNDi_CHEMBL10702214	403.475	SULBYHPIZCGJBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115973
COCCC(=O)NC(C)c1nnc2CCN(Cc3cccc(OC)c3O)CCn12	MCULE-8634190732,EMOLS-id_20446131,ChEMBL-DNDi_CHEMBL18362174,PC-id_45181068	403.475	FFNRUVKPDWGMOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115974
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(O)c(OC)c3)CCn12	ChEMBL-DNDi_CHEMBL28014687,PC-id_45193753,MCULE-8471166357,EMOLS-id_20500967	403.475	FYUGFYHDZZGEMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115975
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(OC)c1O)CC2	CoCoCo_1194856,ZINC22_14879767,CoCoCo_1194857	403.475	FFNRUVKPDWGMOL-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115976
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(OC)c1O)CC2	CoCoCo_1194859,ZINC22_14879766,CoCoCo_1194858	403.475	FFNRUVKPDWGMOL-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115977
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(O)c(OC)c1)CC2	ZINC22_12209939,CoCoCo_1272783,CoCoCo_1272782	403.475	FYUGFYHDZZGEMI-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115978
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(O)c(OC)c1)CC2	ZINC22_12209946,CoCoCo_1272781,CoCoCo_1272780	403.475	FYUGFYHDZZGEMI-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115979
OC(CNC(=O)NCCc1n2CCCCCc2nn1)c1c(OC)ccc(OC)c1	PC-id_75887863	403.475	NLFJWVFNJMGTHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115980
O[C@H](CNC(=O)NCCc1n2CCCCCc2nn1)c1c(OC)ccc(OC)c1	PC-id_52632496	403.475	NLFJWVFNJMGTHI-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115981
O[C@@H](CNC(=O)NCCc1n2CCCCCc2nn1)c1c(OC)ccc(OC)c1	PC-id_52632497	403.475	NLFJWVFNJMGTHI-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115982
[P+](Cc1c2-c(cc1)ccccc2)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_71362149	403.475	CZANMMGVNGUIOO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-115983
[P+](Cc1cc2-c(c1)ccccc2)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_10672459	403.475	WFZUILZGDYPPGB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-115984
CN(Cc1nnc2n1CCCCC2)C(=O)c1ccc(NC(=O)c2ccccc2)cc1	PC-id_40144309,CoCoCo_4664767,EMOLS-id_27391634,MCULE-2737545766,ZINC22_32907720	403.477	OPPIHTAXRKLSSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-115985
COc1cccc(c1)n1c(C)cc(c1C)C(=O)C(c1nnc2n1CCCCC2)C#N	EMOLS-id_33356257,MCULE-5070414800,PC-id_51120915	403.477	BSAZQKJQQFUTQI-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-115986
COc1cccc(n2c(C)cc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)c2C)c1	ZINC22_54726837,PC-id_52373806	403.477	BSAZQKJQQFUTQI-HXUWFJFHSA-N	00000000110000110101100000000010000000000000000000000000	31-01-115987
COc1cccc(n2c(C)cc(C(=O)[C@H](C#N)c3nnc4n3CCCCC4)c2C)c1	ZINC22_54726839,PC-id_52373807	403.477	BSAZQKJQQFUTQI-FQEVSTJZSA-N	00000000110000110101100000000010000000000000000000000000	31-01-115988
CCC1CCc2c(C(CC1)(F)F)nnn2CCCOC(=O)C(C(=O)C)SC	PC-id_89623256,SCHEMBL15024526	403.487	CHSDCYKUKQQZLY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-115989
CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc2c(s1)CCCCCC2	MCULE-1460376837,CoCoCo_4589543,PC-id_45865716,EMOLS-id_44046298,ZINC22_36391621	403.489	YPUIELGLMGSBKI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-115990
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1cc(F)c(F)cc1)C)C#N	PC-id_55556874	403.489	GOKJOPREHLYBSH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115991
s1c2CCCCCc2c(c1NC(=O)C(N(Cc1c(F)cc(F)cc1)C)C)C#N	PC-id_24664457	403.489	UUXUZRUKGDWQNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115992
c1(NC(=O)c2ccc(cc2OC)OC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_2369262,MCULE-9333318438,CK1644782,TIMTEC462270,CoCoCo_684814,ZINC22_1200902,ChEMBL-DNDi_CHEMBL5703374,PC-id_1359089	403.492	SXKNTRSWCXFBFO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115993
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_4082148,CoCoCo_5886218,ZINC22_996349,TIMTEC299377,MCULE-7457121080,PC-id_1221099	403.492	LXQXLFQVUVGBQP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115994
c1(NC(=O)c2ccc(cc2OC)OC)sc2c(CCCCCC2)c1C(=O)OC	MCULE-1152344574,TIMTEC148454,ZINC22_2738863,EMOLS-id_4082146,PC-id_4415082,CoCoCo_1849638	403.492	FLHMDFKXWQIQNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115995
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_994723,TIMTEC355912,CoCoCo_684779,EMOLS-id_2369236,SPECS-id_AK-968/11841583,MCULE-1717468753,PC-id_1219838	403.492	OIPXATZUKUSGQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115996
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)OCC	PC-id_1011027,SPECS-id_AK-968/13030029,EMOLS-id_4082158,MCULE-4650102302,CHEMBL1552996,CoCoCo_1755059,ZINC22_671495,TIMTEC379869	403.492	PJKWJAUJEHKTAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115997
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_2197574,CoCoCo_899441,ChEMBL-DNDi_CHEMBL7246923,MCULE-5165146051,PC-id_1009153,ZINC22_668995,TIMTEC525696,SPECS-id_AK-968/12573173	403.492	WKDHEHHPJDXJFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115998
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-7896889474,ZINC22_5710333,ChEMBL-DNDi_CHEMBLF0817-0350,EMOLS-id_5371407,CoCoCo_1738309,PC-id_4532632	403.492	AOSOOCMPGLUZET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-115999
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CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_11894761,CoCoCo_898450,ZINC22_4611980	403.492	LWEQYPUQHXGNHP-KNPMLCFXSA-N	00000011100000000100000000000110000000000000000000000000	31-01-116005
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_239339220	403.492	LWEQYPUQHXGNHP-GVAFMPQTSA-N	00000011100000000100000000000110000000000000000000000000	31-01-116006
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_239339221	403.492	LWEQYPUQHXGNHP-YXAMBPQSSA-N	00000011100000000100000000000110000000000000000000000000	31-01-116007
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_4611979,PC-id_11894759,CoCoCo_898451	403.492	LWEQYPUQHXGNHP-KOZAUXTDSA-N	00000011100000000100000000000110000000000000000000000000	31-01-116008
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_898452	403.492	LWEQYPUQHXGNHP-NOXHYTERSA-N	00000011100000000100000000000110000000000000000000000000	31-01-116009
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_898453,PC-id_27016923	403.492	LWEQYPUQHXGNHP-OJDYBEQGSA-N	00000011100000000100000000000110000000000000000000000000	31-01-116010
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_898454	403.492	LWEQYPUQHXGNHP-UAXWRAGISA-N	00000011100000000100000000000110000000000000000000000000	31-01-116011
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_898455	403.492	LWEQYPUQHXGNHP-GUYJKWIASA-N	00000011100000000100000000000110000000000000000000000000	31-01-116012
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_898457	403.492	LWEQYPUQHXGNHP-SHUKQUCYSA-N	00000011100000000100000000000110000000000000000000000000	31-01-116013
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2	PC-id_27016926,CoCoCo_898456	403.492	LWEQYPUQHXGNHP-VZAMPYOESA-N	00000011100000000100000000000110000000000000000000000000	31-01-116014
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2	PC-id_20024269,ZINC22_101391546	403.492	LWEQYPUQHXGNHP-RKLWJJNISA-N	00000011100000000100000000000110000000000000000000000000	31-01-116015
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CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2	ZINC22_101391550,PC-id_20024271	403.492	LWEQYPUQHXGNHP-APYUEPQZSA-N	00000011100000000100000000000110000000000000000000000000	31-01-116016
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COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_908203	403.492	RMGYGYBIBZRJDX-NOXHYTERSA-N	00000011100000000100000000000110000000000000000000000000	31-01-116021
COC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_908204,PC-id_27025830	403.492	RMGYGYBIBZRJDX-OJDYBEQGSA-N	00000011100000000100000000000110000000000000000000000000	31-01-116022
COC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_908205	403.492	RMGYGYBIBZRJDX-UAXWRAGISA-N	00000011100000000100000000000110000000000000000000000000	31-01-116023
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_908206	403.492	RMGYGYBIBZRJDX-GUYJKWIASA-N	00000011100000000100000000000110000000000000000000000000	31-01-116024
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COC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCC2	PC-id_1235917,CoCoCo_908207	403.492	RMGYGYBIBZRJDX-VZAMPYOESA-N	00000011100000000100000000000110000000000000000000000000	31-01-116026
COC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCC2	ZINC22_101392295,PC-id_20024625	403.492	RMGYGYBIBZRJDX-RKLWJJNISA-N	00000011100000000100000000000110000000000000000000000000	31-01-116027
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s1c2c(CCCCC2)c(c1NC(=O)Cn1nc2n(CCCCC2)c1=O)C(=O)N	PC-id_55576696	403.498	IZKAWNUDURDZNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116072
s1c2CCN(Cc2cc1)C(=O)CCNC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_56238131	403.498	KGFDGMMBHAIAKD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-116073
s1cc(C(=O)NC2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56043377	403.498	HQLFVLJCIWNTRV-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116074
s1c(C(=O)N2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1C	PC-id_55976489	403.498	AQIUARUMLRWDTM-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116075
S(c1n2CCCCCc2nn1)CC(=O)N(CC(=O)Nc1cc(OC)ccc1)C	PC-id_8379293	403.498	OHZQMEPWBVPRRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116076
S(=O)(=O)(N1CCc2c1ccc(c2)C(=O)NCCc1n2CCCCCc2nn1)C	PC-id_60389551	403.498	MTLNXGPTMHZWGN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-116077
S(=O)(=O)(Nc1ccc(C=CC(=O)NCCc2n3CCCCCc3nn2)cc1)C	PC-id_55553550	403.498	JXXMCEYZESQZLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116078
CN(Cc1nnc2n1CCCCC2)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1	PC-id_45865861,EMOLS-id_44047739,MCULE-7400515792,ZINC22_40040034,CoCoCo_4594991	403.499	CDEWLMVUMLOMAC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-116079
Cc1nc2ccc(cc2s1)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	MCULE-6890318135,EMOLS-id_337797431,ZINC22_2356148963	403.5	BUYBERVVASPVRF-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-116080
O=C(NCc1n2CC[NH+](CCc2nn1)C/C(=C/c1ccccc1)/C)c1ccncc1	PC-id_25290809	403.5	NIPRDWRMTMQHBW-OBGWFSINSA-O	00000000100000111101000000000010000000000000000000000000	31-01-116081
O=C(NCc1n2CC[NH+](CCc2nn1)CC(=Cc1ccccc1)C)c1ccncc1	PC-id_74416591	403.5	NIPRDWRMTMQHBW-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-116082
s1c2CCCCCc2nc1NC(=O)c1cc2c(n(nc2)Cc2ccccc2)nc1	PC-id_24622824	403.5	AKUDWZUERFXZII-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-116083
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)/c/1=C/c1ccccc1)CC=C	PC-id_2309240	403.5	KDGMICFMCLAREM-IJXDYHTMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116084
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)c1=Cc1ccccc1)CC=C	PC-id_2309241	403.5	KDGMICFMCLAREM-OLQJZLBRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116085
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)/c/1=C/c1ccccc1)CC=C	PC-id_2309242	403.5	KDGMICFMCLAREM-ZPRYSMKGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116086
s1c(=C(c2n3CCCCCc3nn2)C#N)n(c(=O)c1=Cc1ccccc1)CC=C	PC-id_3249922	403.5	KDGMICFMCLAREM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116087
S(Cc1n2CCCCCc2nn1)c1n(c2c(n1)cccc2)C(=O)c1ccccc1	PC-id_23733491	403.5	OVQJPZOKTJWZRC-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-116088
OCCCn1c(C(=O)OC(C)(C)C)c2c(c1C(=O)OC(C)(C)C)CCC#CCC2	PC-id_102584750	403.512	OIVVECJPBUWVGB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-116089
Cc1cc(C)c2-c(c(c1)C)ccc2C=C1C(=O)N(c2c1cccc2)Cc1ccccc1	PC-id_59301665,SCHEMBL3286459	403.515	KXHORSUIMBKJAJ-UHFFFAOYSA-N	00000010100000110110000000001010000000000000000000000000	31-01-116090
Cc1cc(C)c2-c(c(c1)C)ccc2/C=C
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Cc1cc(C)c2-c(c(c1)C)ccc2/C=C/1C(=O)N(c2c1cccc2)Cc1ccccc1	SCHEMBL3286456,PC-id_68581750	403.515	KXHORSUIMBKJAJ-ONUIUJJFSA-N	00000010100000110110000000001010000000000000000000000000	31-01-116092
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCOCC1	SCHEMBL17777912,BindingDB-id_731717,PC-id_121358843,BindingDB_PC-id_121358843	403.515	SMQWIMYVZWFHLS-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-116093
N=C(c1ccccn1)/C=C(/c1csc2c1CC=CCC2)NCc1ccccc1F	SCHEMBL18405003	403.515	QGXZSXBQZOIXFL-MOIGYKERSA-N	00000000100000111110000000000010000000000000000000000000	31-01-116094
COC1=Cc2c(cn(c2CC=C1)CC(=O)N1CCCC1)/C(=C/c1cccnc1C)/C	PC-id_142197207	403.517	YFUROXIJCZJQJW-NBVRZTHBSA-N	00000010100000101110000000000010000000000000000000000000	31-01-116095
COc1ccccc1NCC(=O)N/N=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	CoCoCo_3511350	403.517	KQFFSKSVIKKTCU-VYYCAZPPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116096
COc1ccccc1NCC(=O)NN=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	MCULE-4381029264,EMOLS-id_26121553,PC-id_25708193	403.517	KQFFSKSVIKKTCU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116097
COc1ccccc1NCC(=O)N/N=C/c1cc(C)c2-c1c(ccc(c2)C(C)C)C	CHEMBL4516055,PC-id_42912581,CoCoCo_3511349	403.517	KQFFSKSVIKKTCU-MZJWZYIUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116098
Fc1ccc(CN(CC[NH+](C)C)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_52415996	403.517	POJZNVZJCDSAIX-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-116099
S(CC(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(F)cc1	PC-id_46449561	403.517	WGCGJRGGIGLEIX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-116100
c12CN(CCCn1nc(CN1CCN(C(=O)C1)C1CCCC1)c2)C(=O)COCC	ZINC22_72432570,PC-id_56885778,MCULE-2787759233,EMOLS-id_43072203	403.518	STDBROUBHGFTRD-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-116101
c12CN(CCCn1nc(CNC(=O)CC(C)N1CCOCC1)c2)C(=O)C1CCC1	MCULE-7733841844,EMOLS-id_46075345,PC-id_72907063	403.518	ZVTKLLNBTXLFOR-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-116102
c12C(=O)NCC(O)Cn1nc(C(=O)N(C)CC1(CCCCC1)N1CCCCC1)c2	MCULE-6855590182,EMOLS-id_82716383,PC-id_119064731	403.518	SGHNAAPCBFQXFK-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-116103
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(CCC)CCn12	PC-id_45223372,EMOLS-id_20628687,MCULE-8488896028	403.518	RNRFGYGHCJLBOY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-116104
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(CC)o3)CCn12	ChEMBL-DNDi_CHEMBL35932434,MCULE-1254172284,EMOLS-id_20538749,PC-id_45202365	403.518	ADPXJWVHERMAOY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-116105
c1(C(=O)N2CCC(CC2)(OC)C(=O)N2CCCCCC2)nnc2CCCCCn12	EMOLS-id_324154392,PC-id_154564235,MCULE-9846674182,ZINC22_1857672966	403.518	BOCOSZZHCRQXSZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116106
c1(NC(=S)NC(=O)c2cccnc2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_849490,MCULE-1924662385,CoCoCo_165522,TIMTEC600118,EMOLS-id_1305957,BAS-01067110,PC-id_1114526	403.518	ZPECJWUVRFISPB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116107
c1(NC(=S)NC(=O)c2cccnc2)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_2370138,MCULE-3911929380,PC-id_1980935,EMOLS-id_4499129,STOCK3S-35772	403.518	JDBXJEZERAWJFH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116108
c1(NC(=S)NC(=O)c2ccncc2)sc2c(CCCCCC2)c1C(=O)OC	STOCK4S-26439,PC-id_1992087,ZINC22_2392167,EMOLS-id_4578013,MCULE-5965474903,TIMTEC518774	403.518	WCGWUJPJBDKBDN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116109
c1(NC(=S)NC(=O)C=Cc2ccco2)sc2c(CCCCCC2)c1C(=O)N	PC-id_5100547,MCULE-8017931999	403.518	HRVPUUMAZBUOTB-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-116110
C=C1CN(Cc2c(N1)n(C)nc2)C(=O)C1CCC(CC1)CNC(=O)OC(C)(C)C	PC-id_143188983	403.518	BOHBAUHIQRYYEE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116111
O=C(NC1CCCCC1)C1CCCN(C1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_56165420	403.518	PIVCIFIVHLZJDH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116131
CCc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)COC)n3CC2)o1	PC-id_29216363,ZINC22_20914336,CoCoCo_1327363,CoCoCo_1327362	403.518	ADPXJWVHERMAOY-GOSISDBHSA-N	00000000101000000101000000000010000000000000000000000000	31-01-116112
CCc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)COC)n3CC2)o1	PC-id_29216366,CoCoCo_1327364,CoCoCo_1327365,ZINC22_20914342	403.518	ADPXJWVHERMAOY-SFHVURJKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-116113
CCCN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1	CoCoCo_1461266,ZINC22_14969360,CoCoCo_1461265	403.518	RNRFGYGHCJLBOY-KRWDZBQOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-116114
CCCN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1	ZINC22_14969356,CoCoCo_1461264,CoCoCo_1461263	403.518	RNRFGYGHCJLBOY-QGZVFWFLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-116115
CC(Cn1nc2n(c1=O)C(CCCC2)C(=O)N(Cc1ccco1)CCN(C)C)C	MCULE-7902453243,PC-id_146048529,EMOLS-id_207869415	403.518	FWLKMAJEMQXOKU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-116116
C[C@@H](CC(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2)N1CCOCC1	PC-id_97141193,ZINC22_91781331	403.518	ZVTKLLNBTXLFOR-INIZCTEOSA-N	00001000100010000101000000000010000000000000000000000000	31-01-116117
C[C@H](CC(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2)N1CCOCC1	ZINC22_91781333,PC-id_97141194	403.518	ZVTKLLNBTXLFOR-MRXNPFEDSA-N	00001000100010000101000000000010000000000000000000000000	31-01-116118
CC(=O)NNC(=O)c1c(NC(=O)C=Cc2cccs2)sc2c1CCCCC2	PC-id_92046527	403.518	MSQFDXMJAHTRJE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-116119
CN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cc2n(n1)C[C@@H](O)CNC2=O	ZINC22_426489691	403.518	SGHNAAPCBFQXFK-INIZCTEOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-116120
CN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cc2n(n1)C[C@H](O)CNC2=O	ZINC22_426489692	403.518	SGHNAAPCBFQXFK-MRXNPFEDSA-N	00000000100010000101100000000010000000000000000000000000	31-01-116121
COc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_10039796,PC-id_3688776	403.518	LXZLOQDCUYCCNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116122
COc1ccccc1NC(=S)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	MCULE-4246660936,PC-id_3387861	403.518	MHXMSWXPGYLWIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116123
COc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)c1	PC-id_20166117,ZINC22_32125458	403.518	ZDGCQLAHHPVXAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116124
COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	PC-id_21234849,ZINC22_7067429	403.518	ZDCFHZWFYDWGOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116125
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccco2)sc2c1CCCCCC2	ZINC22_2316737,EMOLS-id_26282605,PC-id_1933337,STOCK2S-76066	403.518	HRVPUUMAZBUOTB-MDZDMXLPSA-N	00000000101000000100000000000010000000000000000000000000	31-01-116126
NC(=O)c1c(NC(=S)NC(=O)COc2ccccc2)sc2c1CCCCC2	PC-id_20166160,ZINC22_32125234	403.518	NCQBWJMJZDVFFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116127
O=C(N1CC(CCC1)C)C1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55662325	403.518	OQZUILWPVZFXMP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116128
O=C(N1CCC(CC1)C)C1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55950714	403.518	KPIDIYCAPPCJBP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116129
O=C(N1CCC(NC(=O)Cn2nc3n(CCCCC3)c2=O)CC1)C1CCCCC1	PC-id_55691028	403.518	TXJAXTCSRIWTIR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116130
O=C(NC1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)C1CCCCC1	PC-id_56166095	403.518	ZIKKUHUDHNKLLB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116132
s1c2c(CCCCC2)c(c1Nc1sc2c(n1)c(OC)cc(OC)c2)C(=O)N	PC-id_43968682	403.518	FQOKENORKQFGMM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-116133
s1c2c(CCCCC2)c(c1NC(=O)c1sc2n(nc(c2c1)C)C)C(=O)OC	PC-id_55698046	403.518	WKSJUUNLJOPDGS-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-116134
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1sc(nc1C)C)C)C#N	PC-id_8578516	403.518	YWHNGHPQZVKISY-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-116135
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1sc(nc1C)C)C)C#N	PC-id_8578520	403.518	YWHNGHPQZVKISY-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116136
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1sc(nc1C)C)C)C#N	PC-id_55424245	403.518	YWHNGHPQZVKISY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116137
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cccc1)C(=O)N)C(=O)OC	PC-id_20414445	403.518	VUHJYJVULPXGRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116138
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)N)C(=O)OC	PC-id_20414687	403.518	DTXONLLLEFFUOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116139
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3cccc(C)c3)CCn12	MCULE-4993947347,EMOLS-id_20393710,ChEMBL-DNDi_CHEMBL10787757,PC-id_45168962	403.52	PESHXVDSJBYMAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116140
c1(CN(c2cccc(C)c2C)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	EMOLS-id_10085582,ZINC22_27526357,PC-id_34883496,MCULE-1944238982,CoCoCo_6271194	403.52	NKSGNYWQPKZUOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116141
c1(nnc2CCCCCn12)N(Cc1cccc(C)c1C)C(=O)Nc1ccc(cc1)C	MCULE-8298436097,ZINC22_8550218,PC-id_4752595	403.52	DIOVIEIKADNTMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116142
Cc1ccc(cc1C)C(NC(=O)CCc1cc2CNCCCn2n1)c1cccnc1	MCULE-9304679300,EMOLS-id_43058998,PC-id_70706905	403.52	MGORTPMWOCTABL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116143
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cccc(C)c3)CCn12	MCULE-6716821076,ZINC22_12020844,EMOLS-id_20525513,CoCoCo_1308204,CoCoCo_1308203,PC-id_42355952	403.52	BDGTYQBIUHLDSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116144
Cc1ccc(C)c(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1	PC-id_29254054,CoCoCo_1338145,CoCoCo_1338146,ZINC22_20993151,MCULE-9098133831,EMOLS-id_20546365	403.52	NFFSAXHSJCXTSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116145
Cc1cc(C)cc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1	ZINC22_20999135,PC-id_29258362,EMOLS-id_20558475,CoCoCo_1356295,MCULE-9360810000,CoCoCo_1356296	403.52	RAYMQNUZQSBPHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116146
Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)c1	PC-id_30852297,CoCoCo_1123389,ZINC22_23128881,CoCoCo_1123390	403.52	PESHXVDSJBYMAC-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116147
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)c1	PC-id_30852298,ZINC22_23128882,CoCoCo_1123391,CoCoCo_1123392	403.52	PESHXVDSJBYMAC-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-116148
Cc1ccc([C@H](NC(=O)CCc2cc3n(n2)CCCNC3)c2cccnc2)cc1C	ZINC22_72423101,PC-id_95868977	403.52	MGORTPMWOCTABL-DEOSSOPVSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116149
Cc1ccc([C@@H](NC(=O)CCc2cc3n(n2)CCCNC3)c2cccnc2)cc1C	ZINC22_72423102,PC-id_95868978	403.52	MGORTPMWOCTABL-XMMPIXPASA-N	00000000100000111101000000000010000000000000000000000000	31-01-116150
Cc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c(C)c1	PC-id_30852085,ZINC22_23128711,MCULE-3469113410,CoCoCo_1120564,EMOLS-id_20391546,CoCoCo_1120563	403.52	BYZFRZZJDMMFSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116151
Cc1ccc(C(=O)NCCc2nnc3CCN(Cc4ccccc4)CCn23)c(C)c1	EMOLS-id_20461861,MCULE-5725446512,ZINC22_11995862,PC-id_42340690	403.52	PQCADSKQSITGTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116152
Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(C)c2C)cc1	ZINC22_28527799,CoCoCo_6601912,MCULE-2501714474,PC-id_16458763	403.52	JKSWPBRPCAHDTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116153
CC(CCN1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1	MCULE-9067193327,PC-id_45197004,EMOLS-id_20515435	403.52	SZJGTLXWRPVEON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116154
C[C@@H]1CN(c2c(cnn2C)[C@@H](N1C(=O)NCc1ccccc1)C)Cc1ccccc1	BindingDB_PC-id_134143801,PC-id_134143801	403.52	UXEUWSAEMLYWQY-MOPGFXCFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116155
C[C@@H](CCN1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1	CoCoCo_1293571,CoCoCo_1293569,ZINC22_11999316	403.52	SZJGTLXWRPVEON-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-116156
C[C@H](CCN1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1	ZINC22_11999318,CoCoCo_1293570,CoCoCo_1293568	403.52	SZJGTLXWRPVEON-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116157
O=C(c1ccccc1Nc1cccc(c1C)C)NCCc1nnc2n1CCCCC2	PC-id_55534606,GD-id_ZINC42763933	403.52	YWHDXPAZXGZXDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116158
O=C(/C=C/c1cc(n(c1C)c1ccccc1)C)NCCc1nnc2n1CCCCC2	PC-id_93984035	403.52	AVPHIYOTOLXKPL-OUKQBFOZSA-N	00000000110000110101100000000010000000000000000000000000	31-01-116159
O=C(N(Cc1n2CCCCCc2nn1)c1c(cc(cc1C)C)C)Nc1ccccc1	PC-id_7565938	403.52	RHSBLLOJBNHWRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116160
O=C(NCc1n2CCCCCc2nn1)NCCC(c1ccccc1)c1ccccc1	PC-id_60435645	403.52	OXKJTTNIVVIGLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116161
O=C(NCCc1n2CCCCCc2nn1)C=Cc1c(n(c(c1)C)c1ccccc1)C	PC-id_55553444	403.52	AVPHIYOTOLXKPL-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-116162
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)C(=O)C1CCCO1	PC-id_111301679	403.522	HKCUXHFKHOXPNQ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-116163
CCOc1ccc2nc(NC(=O)CSc3nnc4n3CCCCC4)sc2c1	PC-id_9323601,MCULE-1493504759,EMOLS-id_13417959,CoCoCo_3081522,ZINC22_9056195	403.522	HBIBWCTYOYZKEL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-116164
O=C(N1CCN2C(C1)CN=C2NCCc1nnc2n1CCCCC2)OC(C)(C)C	PC-id_112226316	403.522	JAFRPNLAEUTQDJ-UHFFFAOYSA-N	00000011100010000101000000000110000000000000000000000000	31-01-116165
S(c1n(C2CC2)c(=O)[nH]n1)C(C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_84865858	403.522	RMYZWVGQIXFCEU-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-116166
S(c1n(C2CC2)c(=O)[nH]n1)[C@H](C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_8889931	403.522	RMYZWVGQIXFCEU-JTQLQIEISA-N	00100000100000000101100000000010000000000000000000000000	31-01-116167
S(c1n(C2CC2)c(=O)[nH]n1)[C@@H](C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_8889932	403.522	RMYZWVGQIXFCEU-SNVBAGLBSA-N	00100000100000000101100000000010000000000000000000000000	31-01-116168
S(=O)(=O)(NCc1n2CCN(CCc2nn1)Cc1sccc1)c1ccccc1	PC-id_28391699	403.522	STPOPJRMFJSZHG-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-116169
CC1CCCC/C=C/Cc2c(SN1)cn(c2C(=C)Nc1ccc(c(c1)F)F)C	PC-id_139471150,SCHEMBL21337143	403.532	YOGOTAGNVOMFHC-SOFGYWHQSA-N	00000000100000110111000000000010000000000000000000000000	31-01-116170
s1c(C(=O)N2CC[NH+](CC2)Cc2cc(F)c(OC)cc2)cc2c1CCCCC2	PC-id_9118594	403.533	NTRIUNODAIJGBS-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-116171
c1(NC(=O)c2ccco2)sc2c(CCCCCCCCCC2)c1C(=O)OCC	EMOLS-id_5122467,MCULE-7741013931,PC-id_1748665,CoCoCo_5813126,TIMTEC444610,ZINC22_2091651,SPECS-id_AK-968/36977311	403.535	SDUCTXWUMPJDAC-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-116172
CCCCCCc1c2-c(c(c1NC(=O)C)OC(=O)OCC)ccc(cc2)CS	SCHEMBL8529047	403.535	MKXOHPZYDWVYBB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-116173
COc1ccc(CN(C)C(=O)c2cc3c(s2)CCCCCC3)c(OC)c1OC	CoCoCo_3341985,ZINC22_32999656,PC-id_40217721,MCULE-1877411175,EMOLS-id_43849121	403.535	IRLMDSJDISTYHC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116174
s1c2CCCCCCc2cc1C(=O)NC(c1cc(OC)c(OC)c(OC)c1)C	PC-id_55709497	403.535	ISFIFTMHSQZPHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116175
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(CC1)C1OCCO1)C#N	PC-id_56335198	403.538	HZQSMMYWTKOCTC-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-116176
s1c2c(CCCCC2)c(c1NC(=O)CCN1C(CCCC1)C1OCCO1)C#N	PC-id_56423771	403.538	JVNXDNXLQOSVHO-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-116177
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC(CCC1)C(=O)OCC)C#N	PC-id_24427672	403.538	NYUVONRHMXUJEY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-116178
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)OCC)C#N	PC-id_8931171	403.538	IJGHEIGBDXQHEU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-116179
s1c2c(CCCCC2)c(c1NC(=O)CCN1C[C@@H](CCC1)C(=O)OCC)C#N	PC-id_27157443	403.538	NYUVONRHMXUJEY-OAHLLOKOSA-N	00000000100010000100000000000010000000000000000000000000	31-01-116180
s1c2c(CCCCC2)c(c1NC(=O)CCN1C[C@H](CCC1)C(=O)OCC)C#N	PC-id_27157445	403.538	NYUVONRHMXUJEY-HNNXBMFYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-116181
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CCC(CC1)C(=O)OCC)C)C#N	PC-id_26371713	403.538	XORWCGOGUSTHGQ-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-116182
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CCC(CC1)C(=O)OCC)C)C#N	PC-id_26371715	403.538	XORWCGOGUSTHGQ-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-116183
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1C[C@@H](CCC1)C(=O)OCC)C)C#N	PC-id_26294898	403.538	VMJINQYMZIQTLQ-LSDHHAIUSA-N	00000000100010000100000000000010000000000000000000000000	31-01-116184
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1C[C@H](CCC1)C(=O)OCC)C)C#N	PC-id_26294900	403.538	VMJINQYMZIQTLQ-GJZGRUSLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-116185
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCC(CC1)C1OCCO1)C)C#N	PC-id_56411422	403.538	DPRSWARQJQPHIH-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-116186
s1c2c(CCCCC2)c(c1NC(=O)C(N1CC(CCC1)C(=O)OCC)C)C#N	PC-id_24506620	403.538	VMJINQYMZIQTLQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-116187
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)OCC)C)C#N	PC-id_24507084	403.538	XORWCGOGUSTHGQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-116188
s1c2c(CCCCC2)c(c1NC(=O)CN(CC1CC1)CCC(=O)OCC)C#N	PC-id_56221079	403.538	KMXAEOJPGKBNOR-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-116189
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)C(=O)N1CCCC1	PC-id_52237310	403.538	ZCYQBUODVWXWEI-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-116190
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCN(C(=O)C2CC2)CC1	PC-id_55348998	403.538	MXGGIYGATHZYRI-UHFFFAOYSA-N	00100000100010000100000000000010000000000000000000000000	31-01-116191
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CN(C(=O)C2CC2)CCC1	PC-id_55683512	403.538	TUYPFSKIVSBIFG-UHFFFAOYSA-N	00100000100010000100000000000010000000000000000000000000	31-01-116192
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1oc(CN(CC)CC)cc1	PC-id_60371249	403.538	ZWWXZFGFEHNHDM-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-116193
c1(C(CC(C)C)NC(=O)C)nnc2CCN(C(=O)CCc3cccs3)CCn12	MCULE-4156994630,EMOLS-id_20598737,PC-id_45216243	403.542	FCWLLNNJKNUNSH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-116194
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(CC=Cc3ccccc3)CCn12	MCULE-5828603108,PC-id_75098711	403.542	REIACJYDEWGLAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116195
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(C)s3)CCn12	PC-id_45237780,EMOLS-id_20688747,MCULE-9957331061	403.542	ZIJBJRBLGGDNDY-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116196
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3sccc3C)CCn12	MCULE-3666808127,EMOLS-id_232747826,PC-id_45166823	403.542	HMAVGUKLDUMCFO-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116197
c1(C(=O)N(C)CCCC2CCCO2)cn2c(CCN(Cc3cnsc3)CC2)n1	EMOLS-id_336478151,MCULE-8452570245	403.542	AEYWRWIDFROLLH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-116198
Cc1ccc(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)s1	CoCoCo_1241197,EMOLS-id_20478923,PC-id_28956259,MCULE-7281056334,ZINC22_20453342,CoCoCo_1241198	403.542	ZXMQXNQFFZQYHK-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116199
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)s1	CoCoCo_1553210,PC-id_28853387,CoCoCo_1553209,ZINC22_20326016	403.542	ZIJBJRBLGGDNDY-OAHLLOKOSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116200
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)s1	CoCoCo_1553212,CoCoCo_1553211,PC-id_28853391,ZINC22_20326023	403.542	ZIJBJRBLGGDNDY-HNNXBMFYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116201
Cc1ccsc1CN1CCc2nnc(CCNC(=O)C3CCOCC3)n2CC1	MCULE-2723448832,CoCoCo_1224771,EMOLS-id_36570475,PC-id_28953325,ZINC22_20449029,CoCoCo_1224772	403.542	LBVNEJGEINJULG-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116202
Cc1ccsc1CN1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1	ZINC22_19222821	403.542	HMAVGUKLDUMCFO-OAHLLOKOSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116203
Cc1ccsc1CN1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1	ZINC22_19222824	403.542	HMAVGUKLDUMCFO-HNNXBMFYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116204
CCc1ccc(cc1)S(=O)(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	PC-id_97519683,EMOLS-id_44370750,ZINC22_96259601	403.542	GZTORVYXLBYQBZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-116205
CC(C)(C)[C@@H]1CCc2nc(NC(=O)Cn3nc4n(c3=O)CCCCC4)sc2C1	ZINC22_1458272604	403.542	PEMNTUFBBXLGFL-CYBMUJFWSA-N	00000000100010000101000000010010000000000000000000000000	31-01-116206
CC(C)(C)[C@H]1CCc2nc(NC(=O)Cn3nc4n(c3=O)CCCCC4)sc2C1	ZINC22_1458272605	403.542	PEMNTUFBBXLGFL-ZDUSSCGKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-116207
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(C/C=C/c1ccccc1)CC2	ZINC22_12049022	403.542	REIACJYDEWGLAJ-QPGLYAHGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116208
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(C/C=C/c1ccccc1)CC2	ZINC22_12049025	403.542	REIACJYDEWGLAJ-VQFGERMISA-N	00000000100000110101000000000010000000000000000000000000	31-01-116209
CC(C)C(NS(=O)(=O)C)c1nnc2CCN(C/C=C/c3ccccc3)CCn12	PC-id_45166978,ChEMBL-DNDi_CHEMBL56443754,EMOLS-id_232756937	403.542	REIACJYDEWGLAJ-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116210
CC(C)C(=O)NCCc1nnc2CCN(CCn12)C(=O)CCCc1cccs1	MCULE-9727363897,EMOLS-id_232774925,ZINC22_12470993,PC-id_25306625,CoCoCo_1550559	403.542	HMXYGPAUMLYJIP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-116211
CC(C)N(C)CC(=O)N1CCc2nc(C(=O)NCc3cccs3)n(C)c2CC1	EMOLS-id_313767887,ZINC22_1565556746	403.542	SVJCVEOREXLDDP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-116212
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C(=O)CCc1cccs1)CC2	CoCoCo_1416329,ZINC22_12149197	403.542	FCWLLNNJKNUNSH-QGZVFWFLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-116213
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)CCc1cccs1)CC2	CoCoCo_1416330,ZINC22_12149198	403.542	FCWLLNNJKNUNSH-KRWDZBQOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-116214
CN(CCC[C@H]1CCCO1)C(=O)c1cn2c(n1)CCN(Cc1cnsc1)CC2	ZINC22_1940197576	403.542	AEYWRWIDFROLLH-KRWDZBQOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-116215
CN(CCC[C@@H]1CCCO1)C(=O)c1cn2c(n1)CCN(Cc1cnsc1)CC2	ZINC22_1940197577	403.542	AEYWRWIDFROLLH-QGZVFWFLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-116216
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(SC)cc3)CCn12	MCULE-1973437422,PC-id_45182745,ChEMBL-DNDi_CHEMBL19503587,EMOLS-id_20453311	403.542	DWJFRBCABIMMMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116217
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(SC)cc1)CC2	CoCoCo_1204878,CoCoCo_1204877,ZINC22_14882730	403.542	DWJFRBCABIMMMI-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116218
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(SC)cc1)CC2	ZINC22_14882731,CoCoCo_1204876,CoCoCo_1204875	403.542	DWJFRBCABIMMMI-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116219
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)NCC)C#N	PC-id_78819426	403.542	NZWKFMOZVXAXGN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116220
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)NCC)C)C#N	PC-id_78818685	403.542	IHDNAULYEMLDJG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116221
s1c(CN2CCC(CC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56216117	403.542	YBVRLQFHTWKSMF-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116222
s1c(CN2CC(CCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56223969	403.542	JRSVGZVMSAWGRK-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116223
S=c1n2CCCCCc2nn1CN(CCC)CC(=O)Nc1c(OC)cccc1	PC-id_8226925	403.542	WUWBQEXINKYCJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116224
C=CCN1C(=CS/C/1=C(c1nnc2n1CCCCC2)/C#N)c1ccc(c(c1)C)C	CoCoCo_3764102,PC-id_5823858	403.543	NBSAWCPFYFSPJB-NMWGTECJSA-N	00000011100000110101100000000010000000000000000000000000	31-01-116225
C=CCN1C(=CSC1=C(c1nnc2n1CCCCC2)C#N)c1ccc(c(c1)C)C	PC-id_3429737,MCULE-6657746495	403.543	NBSAWCPFYFSPJB-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-116226
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1ccccc1)C)C(=O)OCC	PC-id_24053696	403.558	DVJLQCSBIFLTIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116247
C=CCN1C(=CS/C/1=C(/c1nnc2n1CCCCC2)C#N)c1ccc(c(c1)C)C	PC-id_75409039,CoCoCo_3764103	403.543	NBSAWCPFYFSPJB-FCDQGJHFSA-N	00000011100000110101100000000010000000000000000000000000	31-01-116227
CCC(c1nnc2n1CCCCC2)NC(=O)NC1CCN(CC1)c1nccs1	MCULE-7928386398,PC-id_139002004,EMOLS-id_320393744	403.545	XHFMXVIZKCERLM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-116228
CC[C@H](NC(=O)NC1CCN(c2nccs2)CC1)c1nnc2n1CCCCC2	ZINC22_541294914	403.545	XHFMXVIZKCERLM-HNNXBMFYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-116229
CC[C@@H](NC(=O)NC1CCN(c2nccs2)CC1)c1nnc2n1CCCCC2	ZINC22_541294923	403.545	XHFMXVIZKCERLM-OAHLLOKOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-116230
s1cc(nc1C)CN1CCN(CC1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_55793802	403.545	QGFIWBVXFVSQGA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116231
CN=C(N1CCN(CC1)c1snc(n1)CC)NCc1nnc2n1CCCCC2	PC-id_109525019	403.548	NRBAABXXOHWEGG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-116232
c1(c2CCCCCc2sc1NC(=O)CSc1ccccc1)C(=O)OC(C)C	ZINC22_4646375,MCULE-7359360522,PC-id_3588366,TIMTEC286577,EMOLS-id_4082359,CoCoCo_5830948,SPECS-id_AK-968/15606068	403.558	LJGPCOPIZGESCI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116233
s1c2CCCCCc2cc1C(=O)OCC(=O)NCCSCc1ccccc1	PC-id_7630378	403.558	RDJDXOKPXVSBKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116234
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(SCC)cc1)C(=O)OCC	PC-id_8670037	403.558	DKANBRAXLFYRSG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116235
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(SC(C)C)cc1)C(=O)OC	PC-id_41147498	403.558	IXWWLYRCTVVVET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116236
s1c2c(CCCCC2)c(c1NC(=O)c1cc(SCC)ccc1)C(=O)OCC	PC-id_8670001	403.558	CDIZVHAGKZJBDL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116237
s1c2c(CCCCC2)c(c1NC(=O)c1cc(SC(C)C)ccc1)C(=O)OC	PC-id_41146900	403.558	QMTSZURZRQDDOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116238
s1c2c(CCCCC2)c(c1NC(=O)c1c(SCC)cccc1)C(=O)OCC	PC-id_8669971	403.558	HYFPSHLFPDFZAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116239
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(SC)cc1)C(=O)OCC	PC-id_41126362	403.558	ZLHPUYJUZGLUGG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116240
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(SCC)cc1)C(=O)OC	PC-id_41139452	403.558	LVZOAJSPGTZUHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116241
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccccc1)C(=O)OC	PC-id_41085853	403.558	AUXOWJRAQBMFST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116242
s1c2c(CCCCC2)c(c1NC(=O)CCSc1ccc(cc1)C)C(=O)OC	PC-id_7545366	403.558	HVKQBCPKRUOLDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116243
s1c2c(CCCCC2)c(c1NC(=O)CCSc1ccccc1)C(=O)OCC	PC-id_4461816	403.558	QSJWZKDGEZSNRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116244
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1ccc(cc1)C)C)C(=O)OC	PC-id_23998270	403.558	CNAHXKREJYXURB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116245
s1c2c(CCCCC2)c(c1NC(=O)CSc1ccc(cc1)C)C(=O)OCC	PC-id_23766961	403.558	OSQQDCMWPXJLFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116246
s1c2c(CCCCC2)c(c1NC(=O)CSc1c(cccc1)C)C(=O)OCC	PC-id_5085959	403.558	IOPHBDKGJAJSLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116248
s1c2c(CCCCC2)c(c1NC(=O)C(SCc1ccccc1)C)C(=O)OC	PC-id_23886517	403.558	DDBYORFOKPDYON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116249
s1c2c(CCCCC2)c(c1NC(=O)CSCc1ccccc1)C(=O)OCC	PC-id_23885240	403.558	CMUWDPDVLWXWGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116250
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1ccccc1)C(=O)OC	PC-id_23861704	403.558	LICSKXNNQZGDPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116251
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1ccccc1)C)C(=O)OC	PC-id_23998275	403.558	QRARHPKQFGGDTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116252
c1(NC(=S)NCc2cccnc2)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC543682,CoCoCo_6799966,MCULE-6173788513,PC-id_4636191,EMOLS-id_4082375,ZINC22_5948029	403.561	XEIUNOYTFLHPGE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116253
c1(NC(=S)NCc2ccncc2)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-9459970742,TIMTEC337984,CoCoCo_6799967,EMOLS-id_4082373,ZINC22_5948033,PC-id_3275860	403.561	NOSRINXPBXHQFK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116254
Cc1csc(CC(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)n1	CoCoCo_4094529,ZINC22_9336534,EMOLS-id_11861208,MCULE-2014710007,PC-id_16388153	403.561	CWNZGEPMWWHFDG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116255
CCC/C=C/c1nc(c2n1CCCN(C2)C)C(=O)N[C@](C(C)(C)C)(C(=O)NC)C	PC-id_145538754	403.561	BIYNDTDVLNGGMS-YUAYGMJFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116256
CCCCC=Cc1nc(c2n1CCCN(C2)C)C(=O)NC(C(C)(C)C)C(=O)NC	PC-id_87208719,SCHEMBL1174244	403.561	HOECAOMVIJQRMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116257
CC(C)(C)C=Cc1nc(c2n1CCCN(C2)C)C(=O)NC(C(=O)NC)C(C)(C)C	SCHEMBL1175246,PC-id_87208819	403.561	SBDJOJPCYDGQBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116258
CCCC/C=C/c1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	SCHEMBL1174240,PC-id_57635692	403.561	HOECAOMVIJQRMC-FMAYLGMYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116259
CCCCC=Cc1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	SCHEMBL1174247,PC-id_66931776	403.561	HOECAOMVIJQRMC-LJQANCHMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116260
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(CC1CCCCC1)CC2	CoCoCo_1157413,ZINC22_12162030,CoCoCo_1157414	403.561	IFECHVVGWVEMHH-AZUAARDMSA-N	00000010100010000101000000000010000000000000000000000000	31-01-116261
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(CC1CCCCC1)CC2	CoCoCo_1157417,CoCoCo_1157418,ZINC22_12162036	403.561	IFECHVVGWVEMHH-ICSRJNTNSA-N	00000010100010000101000000000010000000000000000000000000	31-01-116262
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(CC1CCCCC1)CC2	ZINC22_12162020,CoCoCo_1157415,CoCoCo_1157416	403.561	IFECHVVGWVEMHH-UYAOXDASSA-N	00000010100010000101000000000010000000000000000000000000	31-01-116263
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(CC1CCCCC1)CC2	ZINC22_12162026,CoCoCo_1157420,CoCoCo_1157419	403.561	IFECHVVGWVEMHH-QUCCMNQESA-N	00000010100010000101000000000010000000000000000000000000	31-01-116264
CC(C)C(NC(=O)C1CCOC1)c1nnc2CCN(CC3CCCCC3)CCn12	EMOLS-id_20418972,PC-id_45174828,MCULE-7191393155	403.561	IFECHVVGWVEMHH-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-116265
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=CC(C)(C)C	PC-id_66932134,SCHEMBL1175250	403.561	SBDJOJPCYDGQBB-GOSISDBHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116266
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)/C=C/C(C)(C)C	SCHEMBL1175244,PC-id_57635298	403.561	SBDJOJPCYDGQBB-DOJUMQAQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116267
s1c2c(CCCCC2)cc1C(=O)N1CCC(CC1)C(=O)Nc1scc(n1)C	PC-id_55952784	403.561	ZPXYDENQTHOURD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116268
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(N(C)C)cc1)C(=O)OC	PC-id_20414765	403.561	SALIPZZEXZTGIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116269
s1c2c(CCCCC2)c(c1NC(=S)Nc1nc(cc(c1)C)C)C(=O)OCC	PC-id_19686249	403.561	KSIUNLWBKIDFOV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116270
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccncc1)C)C(=O)OCC	PC-id_19676023	403.561	LUEKSONZKLTVKK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116271
s1c2CCCCCc2nc1NC(=O)c1c(SCC(=O)NC(C)C)cccc1	PC-id_55507061	403.561	SCNUICDKAALORR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116272
s1c2CCCCCCc2cc1C(=O)NNC(=S)NCc1ccc(OC)cc1	PC-id_8788581	403.561	JUOROQOONSOUKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116273
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nc(cc(c1)C)C)C(=O)OC	PC-id_19686244	403.561	FPUQTQLEMJCMGT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116274
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ncccc1C)C(=O)OCC	PC-id_19686000	403.561	NURZDVWMHGJKKL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116275
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nccc(c1)C)C(=O)OCC	PC-id_19686057	403.561	WHNNQVBEKFCPIU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116276
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ncc(cc1)C)C(=O)OCC	PC-id_19686121	403.561	MADIBKGFSHJNCW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116277
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nc(ccc1)C)C(=O)OCC	PC-id_19686178	403.561	UEQGEQYLTLOHPF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116278
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccncc1)C)C(=O)OC	PC-id_19676019	403.561	UMRPFCHEVXVKBT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116279
s1c2c(CCCCCC2)c(c1NC(=S)NCc1ncccc1)C(=O)OCC	PC-id_19686567	403.561	IAVHJPDYJDHDEN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116280
s1c2CCCCCCc2nc1NC(=O)C1CCCN(C1)C(=O)c1sccc1	PC-id_56022494	403.561	CYBMJTAMSSXZDR-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116281
s1c2CCCCCCc2nc1NC(=O)CSCC(=O)Nc1cc(ccc1)C	PC-id_56022232	403.561	OLUXSRRWPXFZSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116282
CCN(c1ccc(cc1)CN1CCc2n(CC1)c(nn2)CCc1ccccc1)CC	ChEMBL-DNDi_CHEMBL31258748,GD-id_ZINC20780959,PC-id_29152127,CoCoCo_1295617,CoCoCo_1295618	403.563	BEPNSTMDFIYRIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116283
c1(NC(=O)CSc2nnc(C(C)C)n2CC)sc2c(CCCCC2)c1C#N	ZINC22_17082756,PC-id_17382725,MCULE-4808653004,EMOLS-id_4082381,CoCoCo_6826304,TIMTEC63755	403.565	AVBBRMHBLDFLPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116284
C[C@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4539960,PC-id_42489664,CoCoCo_4539956,CoCoCo_4539962,CoCoCo_4539958,ZINC22_12259804	403.565	HMLAWNFGGBKOIK-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-116285
c1(NC(=O)CCC(=O)N2CC3(CC2CC(C3)(C)C)C)sc2c(CCCCC2)n1	EMOLS-id_334759435,MCULE-9079059622	403.581	PYEWLRIEGFZRGG-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-116305
C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4539961,CoCoCo_4539955,CoCoCo_4539957,ZINC22_12259798,PC-id_42489662,CoCoCo_4539959	403.565	HMLAWNFGGBKOIK-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116286
CCNC(=NCC1(CCCC1)C(=O)N(C)C)NCCc1nnc2n1CCCCC2	PC-id_111570517	403.565	KDXVVCYGPLXQSK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-116287
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)N1CCOCC1	PC-id_111728053	403.565	VHIQWHOKTUOLHW-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-116288
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(CC1)CC(=O)NC	PC-id_109519601	403.565	KZZKSDGTDXMZAS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116289
CN=C(N1CCC(C1)CN1CCOCC1)NCCCc1nnc2n1CCCCC2	PC-id_112082885	403.565	RDYGQYUKOJJXMR-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-116290
CN=C(NC1CCN(CC1)C(=O)C(C)C)NCCCc1nnc2n1CCCCC2	PC-id_112076398	403.565	QHUTXSOXZLJOMF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116291
CN=C(NCC1(CCCC1)C(=O)N(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111571521	403.565	OPEWCZYPRRZNBL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-116292
CN=C(NCC1(CCCCC1)N1CCOCC1)NCc1nnc2n1CCCCC2	PC-id_111004105	403.565	UCRRMRLXYSZKJC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-116293
N#Cc1c(NC(=O)C(Sc2nnc([nH]2)C(C)(C)C)C)sc2c1CCCCC2	PC-id_24649331,EMOLS-id_24966945,MCULE-1153385688	403.565	HMLAWNFGGBKOIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116294
O=C1N(CCCCN2CCN(CC2)c2ncccn2)CCSc2c1ccs2	PC-id_19881076,SCHEMBL9038713	403.565	MDMBKVIOPFWOME-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-116295
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)CC)C#N	PC-id_17268881	403.565	AEYRECHMVJJSPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116296
s1c2CCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)CC)C#N	PC-id_19716812	403.565	COSHHACDZFNENK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116297
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)C)C#N	PC-id_19715930	403.565	SUAGECGUNBEZCC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116298
s1c2CCCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)C)C#N	PC-id_19716057	403.565	YWNJWXRUQFTCLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116299
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)CC)CC)C#N	PC-id_19716452	403.565	YTDKULJZEVUFCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116300
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(C)C)C)C#N	PC-id_19717024	403.565	XJHSPCISNULYRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116301
s1c([C@H]([NH+]2CCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52274147	403.565	YLEIBIDRQPXJPZ-MRXNPFEDSA-O	00000010100100000101000000000010000000000000000000000000	31-01-116302
s1c([C@@H]([NH+]2CCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52274149	403.565	YLEIBIDRQPXJPZ-INIZCTEOSA-O	00000010100100000101000000000010000000000000000000000000	31-01-116303
s1c(C([NH+]2CCCC2)CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_75818392	403.565	YLEIBIDRQPXJPZ-UHFFFAOYSA-O	00000010100100000101000000000010000000000000000000000000	31-01-116304
O=C(N1CCN(CC1)CCNC(=O)c1cc2c(s1)CCCCC2)C1CCCC1	PC-id_86945001	403.581	DSZDKKBEJPOMID-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-116306
O=C(c1ccccc1CSC1=NCCS1)Nc1nc2c(s1)CCCCC2	PC-id_112807871	403.585	PJJXQYGGJMJTDP-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-116307
CCNC(=NCc1scc(n1)C(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109846608	403.588	ATPZNVQBSQSSRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116308
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ncc(s1)CC	PC-id_111533429	403.588	YYFXDKAWXJMNNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116309
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1sc(c(n1)C)C	PC-id_109835301	403.588	AMFJYWQHTPXNON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116310
CCCCN1CCC(CC1)NC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_112078943	403.608	NNTWDSKCMXITCJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116311
CCNC(=NCc1nnc2n1CCCCC2)NCC(N1CCCCCC1)C(C)C	PC-id_111937147	403.608	LYPIBCQIAUCQAG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116312
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)CN(CC)CC	PC-id_112083121	403.608	PRNVBJCMMMUCSQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-116313
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)CC(C)C	PC-id_112076078	403.608	PXJOTMNRZKFFLQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116314
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCN1CCCCC1C	PC-id_111370653	403.608	JDOQNBJEIDMQNT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116315
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCN1CCC(CC1)C	PC-id_111387173	403.608	CKLTYOGGXBJQIU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116316
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCN1CCCCCC1	PC-id_111324812	403.608	XJSZLCJIGAAZPX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116317
CCNC(=NCCCc1nnc2n1CCCCC2)NCCN1CCCCC1CC	PC-id_111568269	403.608	CXESZJZJLZJDKP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116318
CCNC(=NCC(N1CCCCC1)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111320546	403.608	LWHADKFNCPRUJS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116319
s1c2c(CCCCC2)c(C(=O)NCCCN2CCN(C3CCCCC3)CC2)c1	PC-id_20881890	403.624	CONJGXIXYINRMK-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-116320
Clc1cc(Cl)c(c(c1O)C(=O)NCCc1nnc2n1CCCCC2)Cl	PC-id_112821055	403.691	CYWDGDDGOITLDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116321
c12-c(c(c(c1Cl)Cl)Cl)c(c(c(c(c2Cl)Cl)Cl)Cl)Cl	PC-id_91251845	403.731	GXKRJWAWESOEQA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-116322
C1CN(Cc2cc(nn2C1)CO)C(=O)OCc1cc(cc(c1)Cl)C(F)(F)F	PC-id_90460576,SCHEMBL16099824	403.783	BQQCJLUVRIWHJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116323
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCc1nnc2n1CCCCC2	ZINC22_32779220,MCULE-6858190283,PC-id_40011649,CoCoCo_4755596,EMOLS-id_24971230	403.787	SOWYEZVNWXXOFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116324
Clc1cn(nc1)CCCNC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F	PC-id_19523800	403.83	OEQAPSSSOQHXHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116325
FC(c1ccc(cc1)c1ccc(o1)CNCCc1nnc2n1CCCCC2)(F)F	PC-id_86885009	404.429	HLUAPPBSOAEZGI-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-116461
CC1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1F)Cl)F)C	SCHEMBL21327951,PC-id_139462815	403.831	ARXVVBAUJXFXSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116326
C[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1F)Cl)F)C	SCHEMBL18352825	403.831	ARXVVBAUJXFXSR-QMMMGPOBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116327
CN1CCc2c(S(=O)(=O)C1)cn(c2C(=O)Nc1ccc(c(c1F)Cl)F)C	SCHEMBL21327949,PC-id_139462813	403.831	NBJYXEBUBCJZDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116328
Cc1onc(c2c(F)cccc2Cl)c1C(=O)NCc1nnc2n1CCCCC2	PC-id_25480333,EMOLS-id_30244732,ZINC22_12748392,GD-id_ZINC12748392,MCULE-3602072421	403.838	VFWRQLQHRFQMJP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-116329
c12C(=O)NCC(O)Cn1nc(C(=O)N1CCN(CC1)c1c(C)ccc(Cl)c1)c2	MCULE-2953543216,EMOLS-id_82726825,PC-id_119068633	403.863	VOPULAZOHJZVCY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-116330
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3n(n2)C[C@@H](O)CNC3=O)CC1	ZINC22_426548885	403.863	VOPULAZOHJZVCY-AWEZNQCLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-116331
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3n(n2)C[C@H](O)CNC3=O)CC1	ZINC22_426548887	403.863	VOPULAZOHJZVCY-CQSZACIVSA-N	00000000100010110101100000000010000000000000000000000000	31-01-116332
Clc1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc(N2CCCC2=O)cc1	PC-id_55676106	403.863	BOZKSFRKOVLJBS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-116333
Clc1cc(c(OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1)C(=O)N	PC-id_41823898	403.883	KWVAVYRLVYKXDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116334
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)c(N)cc1	PC-id_24383104	403.883	NZGRZGOOVYAWOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116335
Clc1c(N)cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_29155172	403.883	SEFDFBKEIPFKDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116336
N#Cc1c(NC(=O)COC(=O)c2ccc(Cl)cc2N)sc2c1CCCCC2	MCULE-2609738777,ZINC22_10731357,CoCoCo_3046064,EMOLS-id_24965281,PC-id_41635677	403.883	PLIMNIUZEMJXHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116337
Clc1c(c2nc(sc2)NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_36444891	403.886	ORGFBQJBBNAMKL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-116338
Clc1cc(NC(=O)CSc2n3CCCCCc3nn2)c(n2ncnc2)cc1	MCULE-8433408915,PC-id_7876843,EMOLS-id_257838567	403.889	OWXKPDRTZLXSBH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-116339
Clc1cccc(c1)NCC(NC(=O)c1nn2c(c1)CN(CCC2)C(=O)C)(C)C	MCULE-3000104656,EMOLS-id_32427488,PC-id_50979537	403.906	OGCSKSYEEGQZIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116340
Clc1ccc(C(NC(=O)C)CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55534615	403.906	WZBLSYYLUDYDRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116341
Clc1c(N2CCCCC2)ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c1	PC-id_56013630	403.906	OGUJNTDGSCMMOS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-116342
O=C(CCNC(=O)c1ccc(Cl)cc1)NCCCc1nnc2n1CCCCC2	ZINC22_72301233,EMOLS-id_42872137,PC-id_72147390,MCULE-4535130345	403.906	VYDLWJPIZLEHFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116343
O=C(c1nc(ncc1Cl)N1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_86884592	403.909	FMCASZIQEZNUCF-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-116344
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCCCCC2)c1C(=O)OC	MCULE-7880163948,PC-id_4574629	403.922	MCDCRDLJEMELGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116345
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCCCCC2)c1C(=O)OC	PC-id_4117084,MCULE-5326263584	403.922	CAEYWOXCYNAWMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116346
Clc1ccc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_4155663	403.922	WJXSUAMEJIQGJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116347
Clc1ccc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_6023310	403.922	WJXSUAMEJIQGJM-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116348
Clc1cc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_4076610	403.922	OERYQIJRNULREN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116349
Clc1cc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_6004088	403.922	OERYQIJRNULREN-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116350
Clc1cc(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_3526388	403.922	BOEMPMCCMYJLRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116351
Clc1cc(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_5851830	403.922	BOEMPMCCMYJLRB-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116352
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cccc1	PC-id_4437952	403.922	RCLXGLZEAPROKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116353
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cccc1	PC-id_6110428	403.922	RCLXGLZEAPROKK-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116354
COC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCCCC2	CoCoCo_5816254,EMOLS-id_26496991,SPECS-id_AK-968/12096231,PC-id_1741473,TIMTEC91988,ZINC22_2082264	403.922	CAEYWOXCYNAWMR-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116355
COC(=O)c1c(NC(=O)/C=Cc2ccccc2Cl)sc2c1CCCCCC2	CoCoCo_5816255	403.922	CAEYWOXCYNAWMR-SEYXRHQNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116356
COC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)Cl)sc2c1CCCCCC2	CoCoCo_6255464	403.922	MCDCRDLJEMELGS-RAXLEYEMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116357
COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCCCC2	TIMTEC303263,CoCoCo_6255463,PC-id_1741059,SPECS-id_AK-968/11987081,ZINC22_2081773,EMOLS-id_45936312	403.922	MCDCRDLJEMELGS-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116358
c1(cc2c(ccc(Cl)c2)n1CCOC)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323263361,MCULE-1960884117	403.926	VICUMOARANALQM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-116359
c1(C(=O)Nc2sc3c(CCCCC3)n2)cn(c2ccc(Cl)cc12)CCOC	MCULE-6828924359	403.926	HEFKVNICAOSQOA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-116360
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(Cc2ccc(cc2)Cl)C1	EMOLS-id_323380918,MCULE-9110861316	403.926	NKXYMYCYZCIXDF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-116361
CC/C=CC=NCc1ccc(cc1)C(=C)NCCc1c2-c(cccc(c2)Cl)nc1	PC-id_137213467	403.947	WAJDSPMSICLRMO-RILNEWAASA-N	00000010100000110110000000000010000000000000000000000000	31-01-116362
CC/C=CC=N/Cc1ccc(cc1)C(=C)NCCc1c[nH]c2c1C=C(Cl)C=C=C2	SCHEMBL18856156	403.947	XIVUMYJAOVPOEE-PYCXCQESSA-N	00000000100000110110000000000010000000000000000000000000	31-01-116363
Clc1sc(S(=O)(=O)NN=C([O-])c2sc3CCCCCCc3c2)cc1	PC-id_51557535	403.947	INUXZWAHDNGROW-UHFFFAOYSA-M	00000000100100000100000000000010000000000000000000000000	31-01-116364
c1(c(C)nc(c2ccc(cc2)Cl)s1)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323301663,MCULE-4191199301	403.949	TZVLHHZVEJWUGV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-116365
c1(c(C)nc(c2ccccc2Cl)s1)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323316251,MCULE-6430840631	403.949	BSCYIGTYKOOJNP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-116366
c1(C(=O)Nc2sc3c(CCCCC3)n2)nc(sc1c1ccc(cc1)Cl)C	MCULE-1905176826,EMOLS-id_323462668	403.949	DAJXORQZOKPIPQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-116367
c1(NC(=O)Cc2csc(c3ccc(cc3)Cl)n2)sc2c(CCCCC2)n1	EMOLS-id_320499014,MCULE-8645151096	403.949	YIBHJOVIHNAGDX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-116368
c1(NC(=S)NC(=O)c2ccccc2Cl)sc2c(CCCCCC2)c1C#N	CoCoCo_1958817,SPECS-id_AG-205/40776183,STOCK3S-13366,ZINC22_2190707,MCULE-3970009402,TIMTEC40707,PC-id_1825234,EMOLS-id_4483020	403.949	AIFOWXOCGXSATK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116369
Clc1c(c2scc(CC(=O)Nc3sc4c(CCCCC4)n3)n2)cccc1	ZINC22_32885734,PC-id_40120746,MCULE-1498369084,EMOLS-id_25653794,CoCoCo_4546212	403.949	GWTUSSOBIZJTAZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-116370
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccc(nc1)Cl	PC-id_109784894	403.952	PHMJVMPSKTXFPF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116371
CN1CCN(c2ccc(Cl)cc2NC(=O)c2cc3c(s2)CCCCC3)CC1	PC-id_2566378,ZINC22_3446233,CoCoCo_3216012,CoCoCo_3216013,EMOLS-id_3316958,MCULE-5298916988	403.969	CQGWXOCTGLRKEA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-116372
CCOC(=O)c1nn2C(=C(OCC(c2c1)O)/C=CCI)C	PC-id_163868250	404.023	PINXMBUKFNKQSW-PLNGDYQASA-N	00000000100000000111000000000010000000000000000000000000	31-01-116373
C[C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_154682168	404.095	BQSTUFOMBYNSDR-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116374
CC1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_154682320	404.095	BQSTUFOMBYNSDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116375
C[C@@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C	PC-id_155061946	404.095	BQSTUFOMBYNSDR-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116376
CC(C1C=CC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155258017	404.095	RDYQOQSDPDTYPG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-116377
CC(=C)C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682140	404.095	UBYBFMIDARMRKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116378
CC(=C)[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155062081	404.095	UBYBFMIDARMRKC-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116379
CC(=C)[C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155258037	404.095	UBYBFMIDARMRKC-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116380
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)CC=C	PC-id_154682228	404.095	FTTBEOOATGWHPY-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116381
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)CC=C	PC-id_154682280	404.095	FTTBEOOATGWHPY-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116382
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2=O)C(C=C)O	PC-id_154682225	404.095	DQRRPBBIVDZKHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116383
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2=O)(CO)C=C	PC-id_154682112	404.095	HYZOPCOWZZLOGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116384
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@](NS2=O)(CO)C=C	PC-id_154682306	404.095	HYZOPCOWZZLOGT-BVFFRPSBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116385
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)CC=C	PC-id_155062050	404.095	FTTBEOOATGWHPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116386
CSC1=NC=[I]C(Cc2n1cc(n2)C(Cl)Cl)C	PC-id_145335730	404.098	QVGFRICQGQAMTR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-116387
Brc1cnc(c(c1)Br)Sc1nnc2n1CCCCC2	PC-id_104453712	404.123	VIYBPTOOHZOVAZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116388
CC(C)[C@@H]1C=CC2=C(N(C=C2S(=N)(=O)N1)C)C(NC3=CC(=NC(=C3)F)C#N)O	PC-id_154991331	404.143	SSSKLOZYKTYDGH-HVHLHXQKSA-N	00000000100000101111000000000010000000000000000000000000	31-01-116389
CC1=C(C=CC(=C1C)C(=O)N)C2=CC=C(C=C2)C(=O)N3CCCCC4=C3C=CS4	PC-id_161339857	404.156	VMNGJANTGPVLSO-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-116390
CC1=CC(=C(C(=C1)C(=O)N)C)C2=CC=C(C=C2)C(=O)N3CCCCC4=C3C=CS4	PC-id_161030410	404.156	TZNRALLJWNPUEI-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-116391
CCCC1=CC=CC=C2C1=CC(=C2[Si](C3C=CCC=C3)(C4C=CCC=C4)Cl)C	PC-id_154307152	404.173	MUURYVBTHKTSAC-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-116392
[B]c1ccc(cc1)Oc1ccc(cc1)C(=O)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_145578223	404.184	WUAASKYTVBMTEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116393
BrC(c1sc2c(CCCCC2)c1)Cc1cc(Cl)c(Cl)cc1	PC-id_63530605	404.192	DGOIKOMNUJZXDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116394
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=C(N=CO3)C	PC-id_155203681	404.206	WUSDEMBKPPLPOC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116395
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CON=C3C	PC-id_155203751	404.206	BSSNSOGFYNMAEI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116396
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NOC(=C3)C	PC-id_155203677	404.206	FNDGVVCVFQLPSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116397
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CN=NN3C	PC-id_155203673	404.217	MQGCMMGOWAUKAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116398
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NNC(=N3)C	PC-id_155203727	404.217	IOWGIMGFKJCENY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116399
Ic1cc(N)c(Sc2n3CCCCCc3nn2)cc1F	PC-id_66101940	404.245	LVLNSFLKMWMYNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116400
Brc1cccc(c1)Cc1noc(n1)Cn1nc2n(c1=O)CCCCC2	PC-id_86903798	404.261	BZHNOGSSQRNKSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116401
CC1=NC2=C(N1)CC(C2)CC3=NC4=C(N3)CC(CC4)CC5=NC6=C(N5)CCCCC6	PC-id_164088652	404.269	XEDHIDGUVOHKDW-UHFFFAOYSA-N	00000010100010000101000010010010000000000000000000000000	31-01-116402
CC(C)CNC(=O)/C(=C/C(=C(C)/C(=N)C)/C1=CC(=C2C1=CC=CC=C2)C(C)(C)C)/C	PC-id_155248868	404.283	QNEZPZGQACKANU-HTEHRDQQSA-N	00000010100000000110000000000010000000000000000000000000	31-01-116403
s1c2CCCCCc2c(c1NC(=O)C(F)(F)C(F)(F)OC(F)(F)F)C#N	PC-id_3115545	404.303	GHSVJJAPYXVVEB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-116404
CC1(C)Cc2c(Br)cccc2[C@H]1NC(=O)[C@@H]1CCc2nnnn2CC1	ZINC22_1569699419	404.304	QXRURLHFAUBXMX-BDJLRTHQSA-N	00000010100000100101000000001010000000000000000000000000	31-01-116405
CC1(C)Cc2c(Br)cccc2[C@@H]1NC(=O)[C@@H]1CCc2nnnn2CC1	ZINC22_1569699420	404.304	QXRURLHFAUBXMX-BZNIZROVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-116406
CC1(C)Cc2c(Br)cccc2[C@H]1NC(=O)[C@H]1CCc2nnnn2CC1	ZINC22_1569699421	404.304	QXRURLHFAUBXMX-MEDUHNTESA-N	00000010100000100101000000001010000000000000000000000000	31-01-116407
CC1(C)Cc2c(Br)cccc2[C@@H]1NC(=O)[C@H]1CCc2nnnn2CC1	ZINC22_1569699422	404.304	QXRURLHFAUBXMX-ZBEGNZNMSA-N	00000010100000100101000000001010000000000000000000000000	31-01-116408
O=C1NCCN(C1c1ccccc1Br)Cc1nnc2n1CCCCC2	EMOLS-id_320304895,MCULE-8582697755,PC-id_145887514	404.304	VOTDTKZHHNFESS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-116409
O=C1NCCN(Cc2nnc3n2CCCCC3)[C@H]1c1ccccc1Br	ZINC22_502555177	404.304	VOTDTKZHHNFESS-KRWDZBQOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-116410
O=C1NCCN(Cc2nnc3n2CCCCC3)[C@@H]1c1ccccc1Br	ZINC22_502555178	404.304	VOTDTKZHHNFESS-QGZVFWFLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-116411
O=C(C1CCn2c(CC1)nnn2)NC1c2cccc(c2CC1(C)C)Br	MCULE-2564629049,PC-id_145899945,EMOLS-id_320367775	404.304	QXRURLHFAUBXMX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-116412
Brc1ccc2ccn(CC(=O)Nc3nc4CCCCCc4s3)c2c1	EMOLS-id_323340870,MCULE-3148804426	404.324	URRDMNVGEKDENL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-116413
Brc1ccc2n(CC(=O)Nc3nc4CCCCCc4s3)ccc2c1	EMOLS-id_323323224,MCULE-5231453136	404.324	XHAROZUIVWVBRY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-116414
Brc1cccc2n(CC(=O)Nc3nc4CCCCCc4s3)ccc12	EMOLS-id_323332942,MCULE-2993006593	404.324	UOBYGBZPTOGQEO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-116415
Cn1c(C(=O)Nc2nc3c(s2)CCCCC3)c(Br)c2ccccc12	EMOLS-id_31922516,PC-id_47029403,MCULE-7438356958,ZINC22_48272197	404.324	NLQUGIZOZLPZTN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-116416
CCC[N+]1=C2CCN(CCC2=CN1)CCC3CCC(CC3)CC(=O)OC(C)(C)C	PC-id_161158522	404.327	XXZMWIOHRDSVDF-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-116417
Clc1sc(Cl)cc1C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_4577882	404.331	WOMLRPNAYDBZMG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-116418
C1(C)(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)CC1(Cl)Cl	PC-id_3597764,EMOLS-id_5126530,TIMTEC521804,MCULE-4784378050,SPECS-id_AK-968/15609344	404.351	WFSNPZUPRLRALF-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-116419
C1(C)(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)CC1(Cl)Cl	MCULE-2748728865,TIMTEC150521,SPECS-id_AK-968/40729062,EMOLS-id_4082775,PC-id_4200767	404.351	FNOXITARXDMPRG-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-116420
CC(C)OC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc2c1CCCCC2	PC-id_1748306,ZINC22_2091282,CoCoCo_5828690	404.351	WFSNPZUPRLRALF-QGZVFWFLSA-N	00100000100000000100000000000010000000000000000000000000	31-01-116421
CC(C)OC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc2c1CCCCC2	PC-id_1748309,ZINC22_2091284,CoCoCo_5828689	404.351	WFSNPZUPRLRALF-KRWDZBQOSA-N	00100000100000000100000000000010000000000000000000000000	31-01-116422
CCOC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc2c1CCCCCC2	CoCoCo_6817597,ZINC22_2103181,PC-id_1758392	404.351	FNOXITARXDMPRG-KRWDZBQOSA-N	00100000100000000100000000000010000000000000000000000000	31-01-116423
CCOC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc2c1CCCCCC2	CoCoCo_6817598,ZINC22_2103180,PC-id_1758391	404.351	FNOXITARXDMPRG-QGZVFWFLSA-N	00100000100000000100000000000010000000000000000000000000	31-01-116424
C1Cn2cc(nc2OCCN1Cc1nnc(o1)c1ccc(cc1)OCF)[N+](=O)[O-]	SCHEMBL14971119,PC-id_89584398	404.352	KQMDIBDYVHMKCG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-116425
c1(NC(=O)c2c(F)c(F)c(c(F)c2F)F)sc2c(CCCCC2)c1C(=O)N	ZINC22_5382614,PC-id_4425555,MCULE-3971964711	404.354	BFZFMJWTBNTPLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116426
COC(=O)c1[nH]c2c(c1)C(C)(C)CN(C=C2C(=O)O)C(=O)c1ccc(c(c1)F)F	SCHEMBL4095129,PC-id_68910004	404.364	VSZRKROMQHBXCF-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-116427
Fc1cc(C(=O)N2CC(c3c(n(c(c3)C(=O)O)C)C(=C2)C(=O)O)(C)C)ccc1F	SCHEMBL5786126,PC-id_69564942	404.364	SVQXJWLKTLOKKT-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-116428
CCOC(=O)C(ONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O)C	PC-id_141055243	404.371	NQTKAZIVIHBJKB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-116429
CCOC(=O)C1C(=CNc2c(cnn2C1(C(=O)OCC)OC(=O)C)C#N)C(=O)C	PC-id_135818363	404.374	BFYRXIRWDBWANZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-116430
o1c2-c(c(/C(=C/3C4=CC=CC=CC4=[O+]C3=O)/c3ccc(cc3)C#N)c1=O)ccccc2	PC-id_10816463	404.394	JEDONGGLEVPVNF-UHFFFAOYSA-N	00000011100000110110000000000110000000000000000000000000	31-01-116431
s1c2c(CCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N	PC-id_5144491	404.397	MXUTWYMWFMFFLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116432
s1c2c(CCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1)C(=O)N	PC-id_3445406	404.397	DEAQJUXJUNKRGN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116433
CCOC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCN(C)C=C(C2)C(=O)C	PC-id_102478459	404.404	OZDZWSQVGULDPR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-116434
C[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)NC1=CC(=NCC1)C(F)(F)F)C	SCHEMBL21337376,PC-id_139471378	404.407	UDBNOIOFHWCSKB-VIFPVBQESA-N	00000000100011000101000000000010000000000000000000000000	31-01-116435
CC(OC(=O)C1=CN(CC(c2c1n(C)nn2)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659365	404.41	DLYLZGVHALRJNP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-116436
CC(OC(=O)C1=CN(CC(c2c1nnn2C)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659362	404.41	BIBKSWCXMKKBDX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-116437
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)C2CC(F)(F)C2)CCC3)cc1	EMOLS-id_313764041,ZINC22_1565556079	404.41	MPVBVCWLHHWGBY-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-116438
C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1nc2ccccc2n1C(F)F	ZINC22_12535882,CoCoCo_4758499,PC-id_25342258	404.414	AVPKKMAKMMNKGI-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-116439
C[C@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1nc2ccccc2n1C(F)F	ZINC22_12535883,CoCoCo_4758500,PC-id_25342259	404.414	AVPKKMAKMMNKGI-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-116440
CCON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)O	SCHEMBL6870377	404.414	QVOXJURVZSSRHQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-116441
FC(F)n1c(nc2c1cccc2)C(NC(=O)Cn1nc2n(CCCCC2)c1=O)C	EMOLS-id_24102126,MCULE-4870709789,PC-id_42890058	404.414	AVPKKMAKMMNKGI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-116442
OCCONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	PC-id_15411825,SCHEMBL6870367	404.414	WWHYLDUJNRCZDZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-116443
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1C=C[C@@H](NS2(=O)=O)[C@@H](O)C	SCHEMBL18353531	404.415	RDYQOQSDPDTYPG-ZUZCIYMTSA-N	00000000100000110111000000000010000000000000000000000000	31-01-116444
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1C=C[C@@H](NS2(=O)=O)C(O)C	SCHEMBL21337228,PC-id_139471229	404.415	RDYQOQSDPDTYPG-GENIYJEYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-116445
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1C=CC(NS2(=O)=O)[C@@H](O)C	PC-id_140762781	404.415	RDYQOQSDPDTYPG-MYHCZTBNSA-N	00000000100000110111000000000010000000000000000000000000	31-01-116446
O=c1n2CCCCCc2nn1CC(=O)NCC(O)COc1cc2OCOc2cc1	PC-id_56089052	404.417	DWIZOLVRDVUMOA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-116447
Fc1ccc(cc1)S(=O)(=O)N1CCc2nnc(COc3cncnc3)n2CC1	PC-id_97405433,ZINC22_96084610,EMOLS-id_46182225	404.419	XMFZJVNQBZFQMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116448
Fc1cccc(c1)S(=O)(=O)N1CCc2nnc(COc3cncnc3)n2CC1	PC-id_97405434,ZINC22_96084611,EMOLS-id_46182229	404.419	POAFJANKPFOMOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116449
O(c1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1OC(=O)c1occc1)C	PC-id_78650316	404.419	HAGDAYSZEPRFKO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-116450
O(c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1OC(=O)c1occc1)C	PC-id_8275313	404.419	HAGDAYSZEPRFKO-FOWTUZBSSA-N	00000000101000110101000000000010000000000000000000000000	31-01-116451
O=C1N(c2n(Cc3ccccc3)cnc2C(=O)NC1C(=O)OC)Cc1ccccc1	PC-id_10408923	404.419	PCSUBXWYVPIEIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116452
COCCN(C)C(=O)c1cn2CCN(CCc2n1)C(=O)Cn1ccc(=O)[nH]c1=O	EMOLS-id_331109911,ZINC22_1875244038	404.42	JLSSHJRTDRGVKJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-116453
N#CC(=C(c1c(=O)oc2-c1cc(ccc2)C(C)C)C(=C(C#N)C#N)C1C=CC=C1)C#N	PC-id_101789618	404.42	WMJUSOBMQVVRMC-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-116454
n1(c2ccccc2oc1=O)CC(=O)N1CCn2c(CC1)nnc2Cc1cccnc1	ZINC22_952977600,MCULE-8883116373,EMOLS-id_290025956	404.422	BKOXRQPRILAGKL-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-116455
N#Cc1ccc(cc1)c1ccc(cn1)C(N1CCOc2n(CC1)cc(n2)[N+](=O)[O-])C	SCHEMBL14965952,PC-id_71571327	404.422	NFAOUGJUHJMEEZ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-116456
[C-]#[N+]c1ccccc1Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	PC-id_140764799	404.425	RSLWGOZPCHAOTP-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116457
N#Cc1ccccc1Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18372962	404.425	NWVHGJYMDCGAFR-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116458
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1ccc(c(c1F)F)F	CoCoCo_3538132,PC-id_8500360,EMOLS-id_16800721,MCULE-1713695151	404.427	FKSUOZOBIZBOEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116459
s1c2CCCCCc2nc1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1	PC-id_37053651	404.427	HDUQLRJCRXCIQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116460
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1cc(F)cc(F)c1)C)C#N	PC-id_8728560	404.43	WAQLWUXBAIYIDO-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-116462
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1cc(F)cc(F)c1)C)C#N	PC-id_8728564	404.43	WAQLWUXBAIYIDO-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116463
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(F)cc(F)c1)C)C#N	PC-id_84823421	404.43	WAQLWUXBAIYIDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116464
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(F)cc(F)cc1)C)C#N	PC-id_55417348	404.43	YJIZDJLZVVMCMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116465
Cc1csc(n1)NC(=O)c1nc2c(o1)CCN(CC2)Cc1c(ccc(c1)F)F	PC-id_134807688	404.434	ROFLDXNZAIDIST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116466
Cc1csc(n1)NC(=O)c1nc2c(o1)CCN(CC2)Cc1c(cccc1F)F	PC-id_134808270	404.434	NMQAHLWFLOSYLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116467
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc2[nH]c(nc2cc1)C(F)F	PC-id_56472013	404.434	MVNXTONVFNFYCF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-116468
s1c2c(CCCCC2)c(c1NC(=O)c1cc2[nH]c(nc2cc1)C(F)F)C(=O)N	PC-id_56452919	404.434	QQTPGESBZJZVIK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-116469
C1CN(CCc2c1nc(o2)C(=O)NCc1cc(ccc1)F)Cc1ccc(cc1)C#N	PC-id_134806555	404.437	LXNAREKNSDMIQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116470
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c([N+](=O)[O-])cc(OC)cc1	PC-id_7650114	404.437	WHMZXUNFIAQYHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116471
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(OC)ccc([N+](=O)[O-])c1	PC-id_7352133	404.437	YTLVSDRUCWWMSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116472
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(OC)cc([N+](=O)[O-])cc1	PC-id_7352151	404.437	SPCIKVZLBCSDTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116473
s1c2c(CCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])c(OC)cc1)C(=O)OC	PC-id_55377224	404.437	ULRWEHSVGXOYPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116474
s1c2c(CCCCC2)c(c1NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_5028815	404.437	OGUWYSURYNZCGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116475
s1c2c(CCCCC2)c(c1NC(=O)COc1c([N+](=O)[O-])cccc1)C(=O)OC	PC-id_7819086	404.437	CNGBBXFFONNHIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116476
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C1C=CC=NC1=O)C(=O)OC	PC-id_78317687	404.437	SBMWCMFDUNIONL-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-116477
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc[n+]([O-])cc1)C(=O)OC	PC-id_8791885	404.437	QGJPGZVSYDAVCK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116478
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1c(=O)[nH]ccc1)C(=O)OC	PC-id_3405961	404.437	JGCVMVHCMJAYFM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116479
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1[n+]([O-])cccc1)C(=O)OC	PC-id_7774340	404.437	JSBVNMKJGVVIOP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116480
O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2noc3c2CCCCC3)CC1	PC-id_86802787,EMOLS-id_49965722,MCULE-4311912947,ZINC22_170602145	404.44	CDDBRRVVGONDQS-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116481
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1nccnc1N)C(=O)OC	PC-id_2642790	404.44	RPZVVHHYZZNNTL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-116482
P(=Nc1nc2-c(c1)ccccc2)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_15514523	404.443	QMHWOULGGLDEIM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116483
CC(NC(C1=CN(CC(c2c1n[nH]c2C)(C)C)C(=O)c1ccc(c(c1)F)F)O)C	PC-id_145087389	404.454	DNRJCXDBKMTPIQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-116484
Fc1c(C2(CCCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)c(F)ccc1	PC-id_56301977	404.454	VLGLUXFZFVVINX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-116485
CCOC(=O)c1c(Nc2ccc(cc2F)C=O)sc2c1CC(C)(C)CNC2=O	PC-id_87680273,SCHEMBL4512535	404.455	ONUMAHJLTQWOMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116486
CCOC(=O)CCCc1cc(c2-c1ccccc2)C(=O)c1ccc(cc1)OC(=O)C	PC-id_139673460	404.455	BGLKDKFPSHEXQU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116487
COC(=O)C(C(=O)OC)CCc1c2-c(c(c1C)C(=O)c1ccccc1)ccccc2	PC-id_139771653	404.455	BUNHRULWNKQICB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116488
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)cc1	PC-id_16509494	404.455	CKFXPLRADAQFKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116489
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(F)cc1)C(=O)NC(=O)OCC	PC-id_7521912	404.455	GZGYKLZHWGDCNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116490
s1c2c(CCCCC2)c(c1NC(=O)c1cc(F)ccc1)C(=O)NC(=O)OCC	PC-id_7521913	404.455	WWTAFBURCLEWOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116491
s1c2c(CCCCC2)c(c1NC(=O)c1c(F)cccc1)C(=O)NC(=O)OCC	PC-id_7521931	404.455	FRGFJJFZISCGSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116492
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(F)cc1)C(=O)NC(=O)OC	PC-id_7597368	404.455	WTZGTBPUHTVCOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116493
O=C(NC1CCN(C1)c1ccc(cc1F)F)NCCc1nnc2n1CCCCC2	PC-id_86895979	404.457	OVORTDXKFGKPLK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-116494
CC(C)c1ccc2-c(c(cc2CNC(=O)CNC(=O)c2ccccc2)C(=O)O)cc1	BindingDB_PC-id_44291909,CHEMBL297439,PC-id_44291909	404.458	VDTBOCPUUHVNLA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116495
CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)C(=O)CCCC2	SCHEMBL683748,PC-id_58153622	404.458	OOTDUSGVFRXTAR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-116496
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CCC(NS2=O)C(O)(C)C	PC-id_139471287,SCHEMBL21337286	404.458	CHSBYBRPEXERRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116497
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(C)C	SCHEMBL18353461	404.458	AQZLEFOAEOSLFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116498
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OCC(NS2)C(C(C)C)O	SCHEMBL21337276,PC-id_139471277	404.458	NPHOIJSVUKDHPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116499
O=c1n2CCCCCc2nn1CC(=O)NC(c1cc(OC)c(OC)c(OC)c1)C	PC-id_55714492	404.46	DFZJGKKQQDMPGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116500
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1)OC)c2)Cc1cccc(C)c1	EMOLS-id_32633082,PC-id_53029185,MCULE-6037515590	404.462	AGHSZMVECNXMOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116501
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1)OCC)c2)Cc1ccccc1	EMOLS-id_16324592,CoCoCo_2544489,PC-id_20964697,MCULE-2648518040	404.462	OKXUFYDDIPLAOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116502
c12C(=O)N(CCCn1nc(C(=O)Nc1cc(C)ccc1OC)c2)Cc1ccccc1	PC-id_53034492,MCULE-9038762970,EMOLS-id_32632788	404.462	NYTGEKVKIKUSCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116503
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OC)c2)Cc1ccccc1	PC-id_53034484,MCULE-2049579692,EMOLS-id_32632764	404.462	NOKAHQGTLUDDPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116504
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(OC)c1)c2)Cc1ccccc1	PC-id_20964705,MCULE-2979537337,EMOLS-id_16324608,CoCoCo_2544499	404.462	FJEDWYUCTVFISM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116505
c12C(=O)NCC(O)Cn1nc(C(=O)N(CCc1ccccc1)Cc1ccccc1)c2	MCULE-8198336938,EMOLS-id_82733635,PC-id_119071154	404.462	AOANIONLNLJAKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116506
c12C(=O)NCC(O)Cn1nc(C(=O)NCC(C)(c1ccccc1)c1ccccc1)c2	MCULE-5419746928,PC-id_119062913,EMOLS-id_82711513	404.462	XIYAGCVKLMVMCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116507
c1(coc2CCCC(=O)c12)C(=O)N1CCn2c(CC1)nnc2CCc1ccccc1	EMOLS-id_36459003,PC-id_56719277,MCULE-6479447197,ZINC22_67907977	404.462	KPSWXTJKTHTINH-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-116508
Cc1ccc(C(=O)OCc2ccccc2)cc1CCn1cnc2c1NC=NCC2O	CHEMBL288909,PC-id_10692590,BindingDB_PC-id_10692590	404.462	XEHCPBPQUXFWJX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-116509
C#C/C=CC=C
/CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)CCC(=O)O	PC-id_143188665	404.462	JXYDNUUGKUOXMN-GNTSWZRDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116510
CC(CNC(=O)c1cc2n(n1)C[C@H](O)CNC2=O)(c1ccccc1)c1ccccc1	ZINC22_426438954	404.462	XIYAGCVKLMVMCP-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116511
CC(CNC(=O)c1cc2n(n1)C[C@@H](O)CNC2=O)(c1ccccc1)c1ccccc1	ZINC22_426438955	404.462	XIYAGCVKLMVMCP-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116512
CCOc1ccccc1NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_46347966,CoCoCo_2544504	404.462	IRQBUUTYQIJVKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116513
CCOC(=O)c1cc(CCn2cnc3c2NC=NCC3O)cc(c2ccccc2)c1	CHEMBL448777,BindingDB_PC-id_10787407,PC-id_10787407	404.462	AUMSVJINXCIBFH-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-116514
COc1ccccc1CNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	MCULE-6282087479,PC-id_20964704,CoCoCo_2544498,EMOLS-id_16324606	404.462	KFWXUYFRJHETHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116515
COc1ccc(NC(=O)c2ccc3CCN(CCn23)C(=O)Cc2ccccn2)cc1	EMOLS-id_313771981,ZINC22_585110987	404.462	OSZWNXIXXJTOSJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116516
N#Cc1ccc(cc1)C(=O)N1CC(C(=O)OC(C)C)c2c(C(C1)(C)C)cc([nH]2)C#N	BindingDB_PC-id_45484805,CHEMBL579263,PC-id_45484805,SCHEMBL4131226	404.462	UAKLTRJUNDQGEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116517
O=C1NC[C@H](O)Cn2nc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cc12	ZINC22_426619953	404.462	AOANIONLNLJAKQ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-116518
O=C1NC[C@@H](O)Cn2nc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cc12	ZINC22_426619954	404.462	AOANIONLNLJAKQ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116519
O(CC(=O)N1CCCn2nc(cc2C1)C(=O)Nc1ccccc1)c1c(cccc1)C	EMOLS-id_32370972,MCULE-4591024886,PC-id_50949689	404.462	WRHPVYUZVAENAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116520
O=C(N1CCn2c(CC1)nnc2Cc1ccccc1)CCc1ccc2c(c1)OCO2	ChEMBL-DNDi_CHEMBL14784875	404.462	KNJCASPQBINOLQ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-116521
O=c1n2CCCCCc2nn1CC(=O)NNC(=O)c1oc(CN(CC)CC)cc1	PC-id_56197483	404.463	IKFVFRAQFITEDR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-116522
O=C(N1CCN(CC1)C(=O)C(=O)N1CCCC1)Cn1nc2n(CCCCC2)c1=O	PC-id_55802436	404.463	DQRLDTNYDIPYIL-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-116523
Cc1cc(C)cc(c1)C(=O)N1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	MCULE-5961861507,EMOLS-id_20434961,CoCoCo_1179473,PC-id_42328738,ZINC22_11978303	404.465	WGFHLJCFJRUYND-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116524
Cc1cccc(CC(=O)N2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)c1	PC-id_26338527,EMOLS-id_232777322,MCULE-8442742083,ZINC22_14982840	404.465	HLZMGLWAILDUJK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116525
CN(CCCOc1ccccc2-c1c(C)cc2/C=C
/C(=O)Nc2c1ccc(c2)F)C	SCHEMBL13324688,CHEMBL1255603,BindingDB_PC-id_52944516,PC-id_52944516	404.477	UQUUIROQBCSRAJ-KGENOOAVSA-N	00000010100000100110000000001010000000000000000000000000	31-01-116526
CN(CCCOc1ccccc2-c1c(C)cc2/C=C
/C(=O)Nc2c1cccc2F)C	SCHEMBL13324697,BindingDB_PC-id_52946358,CHEMBL1258602,PC-id_52946358	404.477	OZLGGHKRVUNADX-HMMYKYKNSA-N	00000010100000100110000000001010000000000000000000000000	31-01-116527
CN(CCCOc1ccccc2-c1c(C)cc2/C=C/1C(=O)Nc2c1cccc2F)C	SCHEMBL3282856	404.477	OZLGGHKRVUNADX-HKWRFOASSA-N	00000010100000100110000000001010000000000000000000000000	31-01-116528
CN(CCCOc1ccccc2-c1c(C)cc2/C=C/1C(=O)Nc2c1ccc(c2)F)C	SCHEMBL3288347	404.477	UQUUIROQBCSRAJ-STZFKDTASA-N	00000010100000100110000000001010000000000000000000000000	31-01-116529
CN(CCCOc1ccccc2-c1c(C)cc2/C=C
/C(=O)Nc2c1cc(F)cc2)C	BindingDB_PC-id_46898068,SCHEMBL13324664	404.477	YMXYPDNRDMMODA-KGENOOAVSA-N	00000010100000100110000000001010000000000000000000000000	31-01-116530
CN(CCCOc1ccccc2-c1c(C)cc2/C=C/1C(=O)Nc2c1cc(F)cc2)C	CHEMBL1258150,PC-id_52949521,SCHEMBL3284083,BindingDB_PC-id_52949521	404.477	YMXYPDNRDMMODA-STZFKDTASA-N	00000010100000100110000000001010000000000000000000000000	31-01-116531
Fc1c2NC(=O)C(=Cc3c4-c(c(c3)C)c(OCCCN(C)C)cccc4)c2ccc1	PC-id_68580260	404.477	OZLGGHKRVUNADX-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-116532
Fc1cc2C(=Cc3c4-c(c(c3)C)c(OCCCN(C)C)cccc4)C(=O)Nc2cc1	PC-id_46898068	404.477	YMXYPDNRDMMODA-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-116533
Fc1cc2NC(=O)C(=Cc3c4-c(c(c3)C)c(OCCCN(C)C)cccc4)c2cc1	PC-id_68582478	404.477	UQUUIROQBCSRAJ-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-116534
s1c2CCCCCc2cc1C(=O)OCC(=O)c1cc(OC)c(OC)c(OC)c1	PC-id_16509491	404.477	ZBEUOSJUAYNCOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116535
O=C(NC(C(C)(C)C)COc1ccccc1F)Cn1nc2n(c1=O)CCCCC2	PC-id_86940754	404.478	VIBIXPAPOCJLQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116536
c1(NC(=O)c2c3CCCCCc3on2)sc(c(C)c1C(=O)OCC)C(=O)CC	MCULE-2685609608,ZINC22_20572795,PC-id_17253367,EMOLS-id_21980277,TIMTEC480682	404.48	ULVUPZXOVOWAMA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-116537
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL5696133,PC-id_1220044,MCULE-2669688232,TIMTEC103468,EMOLS-id_1094322,ZINC22_995005,CoCoCo_683572,SPECS-id_AK-968/11842292	404.48	CNAQFZIMPKATQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116538
c1(NC(=O)CCCC(=O)O)sc2c(CCCCC2)c1C(=O)NCc1ccco1	MCULE-1069177549,ZINC22_17082868,PC-id_17379571,EMOLS-id_4083063,CoCoCo_6833886,TIMTEC111866	404.48	CWLRSMJEWXUBAG-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-116539
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	PC-id_45732448	404.48	OJNKZBUPRDJQBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116540
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(OC)cc(OC)c(OC)c1	PC-id_9301247	404.48	QQFBHWKMSJVBFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116541
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(OC)c(OC)c(OC)cc1	PC-id_9301201	404.48	RGJFBKABXQRETE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116542
s1c2CCCCCc2cc1C(=O)OCC(=O)N(CC(=O)NCc1occc1)C	PC-id_8187908	404.48	IYFWZVVQSFDIJL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-116543
s1c2c(CCCCC2)c(c1NC(=O)c1cn(CCOC)c(=O)cc1)C(=O)OC	PC-id_55873070	404.48	KWUSXQLGPZQJPG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116544
O=C(N1CCCC(=O)c2c1ccs2)c1ccc(cc1)NC(=O)c1ccccc1C	PC-id_21467171,SCHEMBL5321445	404.481	KTNKCOSWEINALP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116545
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c2[nH]c(=S)[nH]c2cc(F)c1	PC-id_78904734	404.482	DGSBBRVAKWIDEK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-116546
S1(=O)(=O)N(Cc2cc(OC)ccc2)COCc2c1sc(S(=O)(=O)N)c2	PC-id_10319047	404.482	CONQUOVQQXHXOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116547
c1(cn2c(C(=O)NCCC2)c1)S(=O)(=O)NCc1ccc(cc1)N1CCOCC1	EMOLS-id_33086568,MCULE-7797422510,PC-id_53182848	404.483	WNGYUTKBFWRBBX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-116548
CNc1ncc(cc1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(CCOC)O	PC-id_90951428	404.483	FZXWBYICRJZCIP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116549
COc1ccccc1N1CCN(CC1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	MCULE-5048201601,EMOLS-id_33086310,PC-id_53182797	404.483	XJSPBVSWVMYZHV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-116550
COc1ccc(cc1)S(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	EMOLS-id_44370328,ZINC22_96259390,PC-id_97519474	404.483	SQPHRXJPTBSKCT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-116551
COc1cccc(c1)S(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	ZINC22_96259391,EMOLS-id_44370330,PC-id_97519475	404.483	NXGXNIALIBXBOP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-116552
O=C(c1nc(n2c1CCN(CC2)S(=O)(=O)c1ccccc1)C)N1CCOCC1	MCULE-9549046246,EMOLS-id_313122474	404.483	CTYWYUZCDKUNMD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-116553
O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1n[nH]c2CCCCCc12	MCULE-6189343014,EMOLS-id_323252667	404.483	NSWHRNITUXADNQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-116554
s1c2c(CCCC2)c(c1NC(=O)Cn1nc2n(CCCCC2)c1=O)C(=O)OC	PC-id_55478060	404.483	YDBFNCUTCVYPEH-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-116555
s1c2c(CCCCC2)c(c1NC(=O)c1nn(c(c1)C)C)C(=O)NC(=O)OCC	PC-id_16952251	404.483	MCLLJVMXTUNKHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116556
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(C1CC1)C)C(=O)N	PC-id_55358574	404.483	LYWZWIKLPHCGJZ-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-116557
s1c2CCCCCCc2nc1NC(=O)c1cc([N+](=O)[O-])c(NCCOC)cc1	PC-id_56021081	404.483	ASEJFVOWCKIXME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116558
s1cc(C2CC2)c(c1NC(=O)Cn1nc2n(CCCCC2)c1=O)C(=O)OCC	PC-id_55463940	404.483	BICKWQMMPMYKMG-UHFFFAOYSA-N	00100000100100000101100000000010000000000000000000000000	31-01-116559
CC(=O)Nc1nccc(c1)OC1=CCc2c(C=C1)sc(n2)Nc1cccc(c1)C	PC-id_143037893	404.485	AYOHFBVYJUBXNI-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-116560
s1c(NC(=O)C2CCCN(C2)C(=O)Cn2nc3n(CCCCC3)c2=O)ncc1	PC-id_55960933	404.487	KUKDGBGOPWBNLD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116561
S(c1n2CCCCCc2nn1)Cc1nc(N2CCOCC2)ncc1C(=O)OC	PC-id_52166949	404.487	FQGFBSDPIIXBEJ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-116562
C=CCn1c(=O)/c(=Cc2ccccn2)/s/c/1=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3610873	404.488	NNMYQTFUSQCRJD-LJUSINLQSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116563
C=CCn1c(=O)/c(=Cc2ccccn2)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3610874	404.488	NNMYQTFUSQCRJD-PZGNMOBRSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116564
C=CCn1c(=O)c(=Cc2ccccn2)sc1=C(c1nnc2n1CCCCC2)C#N	PC-id_4113429,MCULE-4171107946,EMOLS-id_44488416	404.488	NNMYQTFUSQCRJD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116565
C=CCn1c(=O)/c(=C/c2ccccn2)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	PC-id_75362171,CoCoCo_3610876	404.488	NNMYQTFUSQCRJD-KMGBFVISSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116566
C=CCn1c(=O)/c(=C/c2ccccn2)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	CoCoCo_3610875,ZINC22_3176235,PC-id_7039535	404.488	NNMYQTFUSQCRJD-VPOWYEQASA-N	00000000100000101101000000000010000000000000000000000000	31-01-116567
C=CCn1c(=O)/c(=Cc2cccnc2)/s/c/1=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3610881	404.488	CLEFPANDRYPVPF-LRAWPCGGSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116568
C=CCn1c(=O)/c(=Cc2cccnc2)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3610882	404.488	CLEFPANDRYPVPF-REGXUJMISA-N	00000000100000101101000000000010000000000000000000000000	31-01-116569
C=CCn1c(=O)c(=Cc2cccnc2)sc1=C(c1nnc2n1CCCCC2)C#N	PC-id_4444242,MCULE-2149644181,EMOLS-id_44488420	404.488	CLEFPANDRYPVPF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116570
C=CCn1c(=O)/c(=C/c2cccnc2)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	PC-id_75362172,CoCoCo_3610884	404.488	CLEFPANDRYPVPF-DFMRUSNLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116571
C=CCn1c(=O)/c(=C/c2cccnc2)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	ZINC22_34896151,PC-id_93012777,CoCoCo_3610883	404.488	CLEFPANDRYPVPF-FWEBDFPZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116572
C=CCn1c(=O)/c(=Cc2ccncc2)/s/c/1=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3610909,CoCoCo_3610911	404.488	NEOCIRSLVAOLMW-LJUSINLQSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116573
C=CCn1c(=O)/c(=Cc2ccncc2)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3610910	404.488	NEOCIRSLVAOLMW-PZGNMOBRSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116574
C=CCn1c(=O)/c(=C/c2ccncc2)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3610912,PC-id_7039616	404.488	NEOCIRSLVAOLMW-KMGBFVISSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116575
C=CCn1c(=O)c(=Cc2ccncc2)sc1=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_44488408,PC-id_5099719,MCULE-4537292864	404.488	NEOCIRSLVAOLMW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116576
C=CCn1c(=O)/c(=C/c2ccncc2)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	ZINC22_33709511	404.488	NEOCIRSLVAOLMW-VPOWYEQASA-N	00000000100000101101000000000010000000000000000000000000	31-01-116577
N#C/C(=C/c1csc(n1)N(c1ccccc1)C(=O)C)/c1nnc2n1CCCCC2	CoCoCo_3456491	404.488	IUOLGDCFBBEGPZ-VBKFSLOCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116578
N#CC(=Cc1csc(n1)N(c1ccccc1)C(=O)C)c1nnc2n1CCCCC2	PC-id_4795672,EMOLS-id_26093005,MCULE-2730535179	404.488	IUOLGDCFBBEGPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116579
N#C/C(=Cc1csc(n1)N(c1ccccc1)C(=O)C)/c1nnc2n1CCCCC2	PC-id_6212827,CoCoCo_3456490	404.488	IUOLGDCFBBEGPZ-FOWTUZBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116580
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1cccnc1)CC=C	PC-id_25333912	404.488	CLEFPANDRYPVPF-FGIDJLEISA-N	00000000100000101101000000000010000000000000000000000000	31-01-116581
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)c1=Cc1cccnc1)CC=C	PC-id_6112003	404.488	CLEFPANDRYPVPF-QNIRKGTMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116582
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1ccncc1)CC=C	PC-id_25333958	404.488	NEOCIRSLVAOLMW-QMWKXNQJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116583
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)c1=Cc1ccncc1)CC=C	PC-id_6391961	404.488	NEOCIRSLVAOLMW-NEOYTDRFSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116584
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1ncccc1)CC=C	PC-id_40540674	404.488	NNMYQTFUSQCRJD-QMWKXNQJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116585
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)c1=Cc1ncccc1)CC=C	PC-id_6013091	404.488	NNMYQTFUSQCRJD-NEOYTDRFSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116586
N#Cc1c(NC(=O)[C@H]([NH2+][C@@H](c2ccc(cc2F)F)C)C)sc2c1CCCCC2	GD-id_ZINC14935209	404.497	RBAGEJYOZONKFR-CHWSQXEVSA-O	00000000100000110100000000000010000000000000000000000000	31-01-116587
O(C1(Cc2oc(CC(CCC#CC(OC(=O)OC)C1)C(=C)C)c(c2)C)C)COC	PC-id_85181068	404.497	AIBCTCWBJZBDMV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-116588
O(C1(Cc2oc(C[C@H](CCC#CC(OC(=O)OC)C1)C(=C)C)c(c2)C)C)COC	PC-id_10549213	404.497	AIBCTCWBJZBDMV-HGCBZUSOSA-N	00000000100000000110000000000010000000000000000000000000	31-01-116589
CC(c1ccc(c2-c(c1)c(C=C(C(=O)C)C(=O)C)cc2C=C(C(=O)C)C(=O)C)C)C	PC-id_101145123	404.498	HEDMTMSBMWNPJV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-116590
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1ccc(cc1F)F)C	PC-id_111323704	404.5	KCVHCCZVWRQUSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116591
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1ccc(c(c1)F)F)C	PC-id_111324234	404.5	QFLXYAGNFKHHBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116592
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1cc(F)ccc1F	PC-id_112075340	404.5	ORAWGMQYGNZFHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116593
s1c2c(CCCCC2)c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])C(=O)OC	PC-id_4748056	404.5	YYFJXWVWFNDEQO-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116594
s1c2c(CCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)OCCC	PC-id_4323083	404.5	YEQKWUNUSLOHAO-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116595
s1c2c(CCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)OC(C)C	PC-id_4748963	404.5	XUTXGMTUPLPAHK-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116596
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OC	PC-id_7058244	404.5	YYFJXWVWFNDEQO-HUUCEWRRSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116597
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OC	PC-id_7058245	404.5	YYFJXWVWFNDEQO-GJZGRUSLSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116598
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OC	PC-id_7309839	404.5	YYFJXWVWFNDEQO-CABCVRRESA-M	00000000100011000100000000000010000000000000000000000000	31-01-116599
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OC	PC-id_7309840	404.5	YYFJXWVWFNDEQO-LSDHHAIUSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116600
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCCC	PC-id_40421749	404.5	YEQKWUNUSLOHAO-UONOGXRCSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116601
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCCC	PC-id_40421751	404.5	YEQKWUNUSLOHAO-ZIAGYGMSSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116602
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCCC	PC-id_40421753	404.5	YEQKWUNUSLOHAO-KBPBESRZSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116603
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCCC	PC-id_40462270	404.5	YEQKWUNUSLOHAO-KGLIPLIRSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116604
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OC(C)C	PC-id_7058297	404.5	XUTXGMTUPLPAHK-KBPBESRZSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116605
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OC(C)C	PC-id_7058298	404.5	XUTXGMTUPLPAHK-KGLIPLIRSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116606
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OC(C)C	PC-id_7058300	404.5	XUTXGMTUPLPAHK-UONOGXRCSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116607
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OC(C)C	PC-id_7302845	404.5	XUTXGMTUPLPAHK-ZIAGYGMSSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116608
s1c2c(CCCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_78443199	404.5	VOLYQIPGIGYEAK-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116609
s1c2c(CCCCCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_7067903	404.5	VOLYQIPGIGYEAK-KGLIPLIRSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116610
s1c2c(CCCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_7067905	404.5	VOLYQIPGIGYEAK-UONOGXRCSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116611
s1c2c(CCCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_7406094	404.5	VOLYQIPGIGYEAK-ZIAGYGMSSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116612
s1c2c(CCCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_7406095	404.5	VOLYQIPGIGYEAK-KBPBESRZSA-M	00000000100011000100000000000010000000000000000000000000	31-01-116613
CCOC(=O)c1c2-c(cc(ccc2)C(C)C)c(c1O)C=Nc1ccc(cc1)N(C)C	PC-id_136814869	404.501	UJALXNSGPYHQFS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116614
CCOC(=O)c1c(c(c2-c1cc(ccc2)C(C)C)C=Nc1ccc(cc1)N(C)C)O	PC-id_136814868	404.501	WPERVFWKKXNDQY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116615
s1c2c(CCCCC2)c(c1NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-]	PC-id_1724430	404.501	PBYDICJFXWXUOR-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-116616
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C#N	ZINC22_10219322,ChEMBL-DNDi_CHEMBLF2817-0218,EMOLS-id_5624978,PC-id_18586164,MCULE-9921653830,CoCoCo_5190087	404.503	TVXPZRMSEIJKJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116617
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s1c2c(CCCCC2)c(c1NC(=S)Nc1cc2OCOc2cc1)C(=O)OC	PC-id_20411462	404.503	ATZVBKNLJHBMQZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-116625
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Cc1ccccc1CN1CCc2ncc(n2CC1)C(=O)NCCOc1ccccc1	PC-id_134808245	404.505	QVLSBWBIBJHUGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116628
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COc1cc(/C=C/CN2CCc3nnc(CCc4ccccc4)n3CC2)ccc1O	ChEMBL-DNDi_CHEMBL75165899,EMOLS-id_232773663,PC-id_42398772,ZINC22_12079963	404.505	KLCSQVDNFDUWDG-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116631
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O=C(N1CCCCC1)CN1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55570920	404.506	PWSZDKCOHUZXFZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116642
O=C(N1CCN(CC1)C)C1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55718075	404.506	GQTZWJSVAYLUAO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116643
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1snnc1CC)C)C#N	PC-id_8286014	404.506	ZHVKWVHAFYAISB-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-116644
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1snnc1CC)C)C#N	PC-id_8286016	404.506	ZHVKWVHAFYAISB-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116645
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1snnc1CC)C)C#N	PC-id_78654511	404.506	ZHVKWVHAFYAISB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116646
s1c2CCCCCCc2cc1C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1	PC-id_8683694	404.506	CTNRJVGYXITIRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116647
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c2c([nH]c1)nccc2	PC-id_60560780	404.506	DMSLBCNTVQQXTI-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-116648
S(=O)(=O)(Nc1c(/C(=N/CCc2n3CCCCCc3nn2)/[O-])cccc1)CCC	PC-id_52413967	404.506	KPLMVRXULQFFDZ-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-116649
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3ccccc3)CCn12	PC-id_45165783,EMOLS-id_20422675,MCULE-1736196331	404.508	RNIVPUQAMPQSDG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116650
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3cc(C)ccc3C)CCn12	MCULE-1186564793,EMOLS-id_20525997,ChEMBL-DNDi_CHEMBL33204320,PC-id_45199392	404.508	AMUWAVNCUGJBRX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116651
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3cc(C)cc(C)c3)CCn12	MCULE-4880717485,PC-id_45166467,EMOLS-id_20523971	404.508	DFSLNOJSSUOOQQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116652
Cc1ccccc1CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	PC-id_28957029,MCULE-5040103555,CoCoCo_1245538,EMOLS-id_20481883,ZINC22_20454425,ChEMBL-DNDi_CHEMBL24412345,CoCoCo_1245537	404.508	DEZYUOBUVBEMSA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116653
Cc1ccc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c1	CoCoCo_1308932,CoCoCo_1308933,PC-id_29208572,ZINC22_20905779	404.508	AMUWAVNCUGJBRX-GOSISDBHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116654
Cc1ccc(C)c(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c1	PC-id_29208574,CoCoCo_1308934,CoCoCo_1308935,ZINC22_20905781	404.508	AMUWAVNCUGJBRX-SFHVURJKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116655
Cc1cc(C)cc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c1	ZINC22_20785155	404.508	DFSLNOJSSUOOQQ-GOSISDBHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116656
Cc1cc(C)cc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c1	ZINC22_20785159	404.508	DFSLNOJSSUOOQQ-SFHVURJKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116657
Cc1cccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1	CoCoCo_1272232,CoCoCo_1272231,PC-id_29087986,EMOLS-id_20500631,ChEMBL-DNDi_CHEMBL27943995,MCULE-6012559105,ZINC22_20600821	404.508	SOBHVDNIPVTZBC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116658
Cc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1	CoCoCo_1299076,ZINC22_20782362,ChEMBL-DNDi_CHEMBL31742237,PC-id_29152722,MCULE-4669749813,CoCoCo_1299077,EMOLS-id_20519215	404.508	LITBHQGYCSDRKY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116659
C#CCCC1(CCC(=O)NC[C@H]2CN(Cc3ccccc3)Cc3nccn3C2)N=N1	ZINC22_2325894984	404.508	GRAWODDEGCVCBQ-FQEVSTJZSA-N	00110000100000110101000000000010000000000000000000000000	31-01-116660
C#CCCC1(CCC(=O)NC[C@@H]2CN(Cc3ccccc3)Cc3nccn3C2)N=N1	ZINC22_2325894985	404.508	GRAWODDEGCVCBQ-HXUWFJFHSA-N	00110000100000110101000000000010000000000000000000000000	31-01-116661
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(Cc1ccccc1)CC2	ZINC22_11976031	404.508	RNIVPUQAMPQSDG-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116662
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(Cc1ccccc1)CC2	ZINC22_11976035	404.508	RNIVPUQAMPQSDG-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116663
CC(CCN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1)c1ccccc1	PC-id_45179492,MCULE-1232172335,EMOLS-id_20439123,ChEMBL-DNDi_CHEMBL17280771	404.508	ULIGTTFJDBDIRG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116664
CC(CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1)c1ccccc1	MCULE-9214668750,EMOLS-id_20559451,PC-id_45207066	404.508	VCYQNJBIOIHSAV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116665
C[C@H](CCN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1)c1ccccc1	CoCoCo_1185440,CoCoCo_1185438,ZINC22_12200140,PC-id_42459270	404.508	ULIGTTFJDBDIRG-GOSISDBHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116666
C[C@@H](CCN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1)c1ccccc1	ZINC22_12200131,PC-id_42459265,CoCoCo_1185441,CoCoCo_1185439	404.508	ULIGTTFJDBDIRG-SFHVURJKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116667
C[C@H](CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1)c1ccccc1	CoCoCo_1357711,CoCoCo_1357713,ZINC22_12281165	404.508	VCYQNJBIOIHSAV-GOSISDBHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116668
C[C@@H](CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1)c1ccccc1	CoCoCo_1357714,CoCoCo_1357712,ZINC22_12281164	404.508	VCYQNJBIOIHSAV-SFHVURJKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116669
CC(=O)NCc1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	CoCoCo_1208052,EMOLS-id_20455621,MCULE-1427562008,ZINC22_14883842,PC-id_26279518,CoCoCo_1208051	404.508	DLIPQISZMXGLQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116670
NC(=NCCCc1nnc2n1CCCCC2)Nc1cccc(c1)Oc1ccccc1	PC-id_111600014	404.508	DBGSWPZOCKZWPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116671
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(n2cccc2)cc1	PC-id_46534017	404.508	SQZOCVKEMNWDLG-UHFFFAOYSA-N	00000000110010110101100000000010000000000000000000000000	31-01-116672
O=C(NCCc1n2CCN(CCc2nn1)Cc1cc(c(cc1)C)C)c1cccnc1	PC-id_29154308	404.508	YCLBVWIGXJGWLM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116673
O=C(NCCc1n2CCN(CCc2nn1)Cc1c(ccc(c1)C)C)c1cccnc1	PC-id_30852829	404.508	VNCIQWPLDGOIEC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-116674
O=C1NNCC(N2CCN(CC2)Cc2nn3c(c2)CN(CCC3)C(=O)CCN)C1	PC-id_76426249	404.51	UWXLAELFZRJVFA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-116675
c1(sc2c(CCCCC2)n1)NC(=O)c1cc(OCC)c(c(OCC)c1)OCC	MCULE-6656925909,EMOLS-id_334604401	404.523	WSFZAEOZDQXTES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116676
COCCN1Cc2c(ccs2)N(CCC1=O)C[C@H](COCc1ccccc1)O	PC-id_134786635	404.523	RPVYTYWPBPFIRD-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116677
s1c2c(CCCCC2)c(c1NC(=O)C1CN(C(=O)C2CC2)CCC1)C(=O)OC	PC-id_56295597	404.523	NQCNWYYEONNZNV-UHFFFAOYSA-N	00100000100010000100000000000010000000000000000000000000	31-01-116678
s1c2CCCCCCc2nc1NC(=O)CCc1cc(OC)c(OC)c(OC)c1	PC-id_56022487	404.523	XCHNNGFBLFIMIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116679
s1c2nc(c1)C=CC=CC(=O)C(OCOC)C=C(CCCCC(=O)NC2C)C	PC-id_85395292	404.523	KZNNZYHAHMZKHB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-116680
s1c2nc(c1)C=CC=CC(=O)C(OCOC)/C=C(/CCCCC(=O)N[C@H]2C)C	PC-id_11090760	404.523	KZNNZYHAHMZKHB-YQMIPHMISA-N	00000000100000000111000000000010000000000000000000000000	31-01-116681
c1(c2CCCCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1C	MS2_ST015918,ZINC22_2062096,MCULE-7706984435,PC-id_1725969,CoCoCo_81730,SPECS-id_AG-690/12883409,BAS-00486735,EMOLS-id_1230931	404.525	ZGQJQSHWKKJWIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116682
c1(c2CCCCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)C	ZINC22_2062102,MCULE-9543986415,PC-id_1725975,BAS-00486796,EMOLS-id_1230993,CoCoCo_81761	404.525	WEHRHRFGCVWUFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116683
c1(c2CCCCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1cccc(C)c1	PC-id_1725977,ZINC22_2062104,CoCoCo_81766,BAS-00486806,EMOLS-id_1231003,SPECS-id_AG-690/12883454,MCULE-6399233906	404.525	ZHIPZJFSJRVVDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116684
c1(c2CCCCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1	ZINC22_4538325,MCULE-4323595621,CoCoCo_138067,CHEMBL1473853,PC-id_3119669,EMOLS-id_1280382,BAS-00832113	404.525	MHJUIIIXJREMHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116685
C1CCCc2c(CC1)c(c(s2)N=Cc1ccccc1O)C(=O)Nc1ccccc1	PC-id_137051385	404.525	BOHSSVZHAOUQTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116686
C1CCCc2c(CC1)c(c(s2)N=Cc1ccc(cc1)O)C(=O)Nc1ccccc1	PC-id_137051524	404.525	YUPXEFRKERTHEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116687
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_1095550,CoCoCo_683348,SPECS-id_AK-968/11842088,ZINC22_994803,TIMTEC529188,PC-id_1219897,MCULE-7275983127	404.525	WNZOKTWACFWJRM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116688
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2)sc2c(CCCCC2)n1	MCULE-5354246145	404.525	QMUJPLHLAZAWDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116689
c1(sc2c(CCCCC2)n1)NC(=O)C(=Cc1ccc(cc1)OC)c1ccccc1	MCULE-5671802529	404.525	GCMICVUMYXUSHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116690
Cc1ccc(c(c1)C)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	SCHEMBL6987073,PC-id_21467144	404.525	XKVUWPPBEYMLAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116691
Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2)C	PC-id_19029046,SCHEMBL6990006	404.525	BXDQCGLCAYVEGN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116692
COc1ccc(/C=C(/C(=O)Nc2nc3CCCCCc3s2)c2ccccc2)cc1	EMOLS-id_334604150	404.525	GCMICVUMYXUSHP-CAPFRKAQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116693
O=C(Cc1ccccc1C)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	GLL_PC-id_44213481,SCHEMBL6987460,PC-id_44213481	404.525	FRHVMPMDRUGWTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116694
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)NC(=O)c1cccc(c1C)C	PC-id_19029043,SCHEMBL6989132	404.525	SWFCRWWQNVBITC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116695
O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2O)sc2c1CCCCCC2	ZINC22_408970967	404.525	BOHSSVZHAOUQTM-PCLIKHOPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116696
O=C(Nc1ccccc1)c1c(/N=C/c2cccc(O)c2)sc2c1CCCCCC2	ZINC22_408971632	404.525	KNRDIRLXHWEEGW-PCLIKHOPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116697
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(O)cc2)sc2c1CCCCCC2	ZINC22_408973400	404.525	YUPXEFRKERTHEO-PCLIKHOPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116698
O=C(Nc1nc2CCCCCc2s1)/C=C/c1ccc(OCc2ccccc2)cc1	EMOLS-id_334604409	404.525	QMUJPLHLAZAWDJ-DTQAZKPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116699
s1c2CCCCCc2cc1C(=O)Nc1c(c(ccc1)C(=O)Nc1ccccc1)C	PC-id_56244311	404.525	UPOPYIDBOATCGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116700
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)c1ccccc1)C(=O)NC	PC-id_8481401	404.525	IYMDKRXBQUHGBS-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-116701
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(Cc2ccccc2)cc1)C(=O)N	PC-id_4416323	404.525	QFUGXAPZKUNHOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116702
s1c2c(CCCCCC2)c(c1NC(=O)c1ccc(cc1)c1ccccc1)C(=O)N	PC-id_5073940	404.525	FSIJSAVHCRRHGQ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-116703
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(cccc2C)C)cc1	PC-id_57025050	404.525	JGWQVNSSABJQMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116704
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2cc(cc(c2)C)C)cc1	PC-id_57138997	404.525	KEYOKJIORBOLIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116705
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2cc(c(cc2)C)C)cc1	PC-id_57318712	404.525	RZRRDXKZPACCLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116706
Cc1cccc(N(CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)S(=O)(=O)C)c1	ZINC22_55243781,MCULE-7669069335,PC-id_46991105,EMOLS-id_31614093	404.526	ASJCEMUSPASUHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116707
CC(c1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)c(COCC1CC1)nn2)C	PC-id_97519070	404.526	JOFYPDHYZNMPCH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-116708
CCCCn1c(N)c(N(CC)C(=O)c2cc3c(s2)CCCCC3)c(=O)[nH]c1=O	PC-id_24978862,CHEMBL1475563,EMOLS-id_42592202,CoCoCo_3328039,MCULE-6692378382,ZINC22_13010470	404.526	ANEPRUFMLFXDHU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-116709
COc1ccc(CCN(C)C(=O)CSc2nnc3n2CCCCC3)cc1OC	CoCoCo_3081729,ZINC22_7784233,PC-id_8899400,MCULE-8094870820,EMOLS-id_3581649	404.526	XCPVSBVZONBMHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116710
N1(C2CCCCC2)C(=O)C(NC1=O)CC(=O)Nc1sc2c(CCCCCC2)n1	EMOLS-id_30434083,PC-id_46968518,SYN-19994953,MCULE-6978083317	404.526	WPGJQGSXVSAMTC-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-116711
N#Cc1c(NC(=O)CN(CC(=O)N2CCC(CC2)O)C)sc2c1CCCCC2	PC-id_86825518	404.526	OEOLMUGWTQIWIG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-116712
o1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COC)CC(C)C)CC2)ccc1CC	PC-id_42436238	404.526	ADPXJWVHERMAOY-GOSISDBHSA-O	00000000101000000101000000000010000000000000000000000000	31-01-116713
o1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COC)CC(C)C)CC2)ccc1CC	PC-id_42436240	404.526	ADPXJWVHERMAOY-SFHVURJKSA-O	00000000101000000101000000000010000000000000000000000000	31-01-116714
o1c(C[NH+]2CCn3c(nnc3C(NC(=O)COC)CC(C)C)CC2)ccc1CC	PC-id_74803365	404.526	ADPXJWVHERMAOY-UHFFFAOYSA-O	00000000101000000101000000000010000000000000000000000000	31-01-116715
O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1nc2c(s1)CCCCCC2	CoCoCo_491687,PC-id_51583242,ZINC22_19014965	404.526	WPGJQGSXVSAMTC-OAHLLOKOSA-N	00000010100010000101100000000010000000000000000000000000	31-01-116716
O=C(C[C@@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1nc2c(s1)CCCCCC2	ZINC22_19014963,CoCoCo_491686,PC-id_51583241	404.526	WPGJQGSXVSAMTC-HNNXBMFYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-116717
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)COC)C#N	PC-id_60456605	404.526	KLOJOEJCCILJRE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116718
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)OCC)C#N	PC-id_24427540	404.526	SCNPEHMRNFBZLR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116719
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)C(=O)OCC)C)C#N	PC-id_9431215	404.526	QRACGZUFPUCBOY-AWEZNQCLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116720
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CCN(CC1)C(=O)OCC)C)C#N	PC-id_9431217	404.526	QRACGZUFPUCBOY-CQSZACIVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116721
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)OCC)C)C#N	PC-id_85008277	404.526	QRACGZUFPUCBOY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116722
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s1c2CCCCCc2cc1C(=O)NNC(=O)[C@H](Sc1ccc(OC)cc1)C	PC-id_52670569	404.546	DOHTYVBEAZSBOE-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116768
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s1c2CCCCCc2cc1C(=O)NNC(=O)CSc1ccc(OCC)cc1	PC-id_9429469	404.546	YAVIDTOFNZEKIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116770
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CCNC(=NCc1ccc(cc1CSC)F)NCc1nnc2n1CCCCC2	PC-id_109598218	404.548	HTVQMMGEHIMSDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116809
CCNC(=NCc1nnc2n1CCCCC2)NCCCSc1ccc(cc1)F	PC-id_111311200	404.548	YMCCWDATCHXSQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116810
CN=C(NCCc1nnc2n1CCCCC2)NCCCSc1ccc(cc1)F	PC-id_111310858	404.548	WURLSHWWCPJRMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116811
CSCc1cc(F)ccc1CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_109597776	404.548	SETPDNCIZIBJIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116812
Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C(=O)N)CCCCCC3)n1	ZINC22_4744644,EMOLS-id_2529240,PC-id_2988926,CoCoCo_1019806,MCULE-4148039035,TIMTEC180054	404.549	GUQPYECCCAPBDS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-116813
s1c2c(CCCCC2)c(c1NC(=S)Nc1nc(cc(n1)C)C)C(=O)OCC	PC-id_19678117	404.549	CQHLTDMELLHFSB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-116814
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nc(cc(n1)C)C)C(=O)OC	PC-id_19678112	404.549	WDOPVXMSEYVNIR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-116815
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nc(ccn1)C)C(=O)OCC	PC-id_20408700	404.549	FGMLVGDUAWEILU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-116816
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C3CCOCC3)C)CC2)ccc1C	PC-id_42398963	404.549	ZIJBJRBLGGDNDY-OAHLLOKOSA-O	00000000100110000101000000000010000000000000000000000000	31-01-116817
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C3CCOCC3)C)CC2)ccc1C	PC-id_42398964	404.549	ZIJBJRBLGGDNDY-HNNXBMFYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-116818
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)C3CCOCC3)C)CC2)ccc1C	PC-id_74794964	404.549	ZIJBJRBLGGDNDY-UHFFFAOYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-116819
CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=CCN(C)C)C	SCHEMBL1175421,PC-id_87208842	404.55	RUKNFKQUCZHWJO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116820
CCNC/C=C/c1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	SCHEMBL14002136,PC-id_71047687	404.55	WVZLKQYQALYXDL-XSFOEPMVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116821
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCCC(C1)C(=O)OCC	PC-id_110993979	404.55	OAMVIAPSQBRUJG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116822
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(CC1)C(=O)OCC	PC-id_111157242	404.55	ARKQPUXWTBIFRU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116823
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCOC(C1)C1CCCO1	PC-id_109686409	404.55	LQMORNYOLQOTLD-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-116824
CCOC(=O)C1CCC(CC1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112077924	404.55	ITMWBANZCVEXON-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116825
CN=C(N1CCC(CC1)OCC1CCCCO1)NCc1nnc2n1CCCCC2	PC-id_109446795	404.55	GMJKPBYLWTVHME-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116826
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)/C=C/CN(C)C	SCHEMBL1175418,PC-id_57635287	404.55	RUKNFKQUCZHWJO-XSFOEPMVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116827
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=CCN(C)C	SCHEMBL1175425,PC-id_66932201	404.55	RUKNFKQUCZHWJO-GOSISDBHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116828
O=C(NC(C(C)(C)C)C(=O)NC)c1nc(n2c1CN(CCC2)C)C=CCNCC	PC-id_77869030	404.55	WVZLKQYQALYXDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116829
S=c1n2CCCCCc2nn1C[NH+](CCC)CC(=O)Nc1c(OC)cccc1	PC-id_8226924	404.55	WUWBQEXINKYCJM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-116830
C[C@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4298089,PC-id_9449814,ZINC22_8324049	404.553	JYPBFUAHMLBFHL-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-116831
C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_9449815,ZINC22_8324050,CoCoCo_4298090	404.553	JYPBFUAHMLBFHL-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116832
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)CC(=O)N	PC-id_112075838	404.553	GYAPYFCEDRPARR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116833
N#Cc1c(NC(=O)C(Sc2nnnn2C(C)(C)C)C)sc2c1CCCCC2	EMOLS-id_43994121,MCULE-1046848304,PC-id_16335218	404.553	JYPBFUAHMLBFHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116834
c12N(CCCCc1cc(C(=O)N(C)CCc1c(C)nn(C)c1C)s2)CCOC	EMOLS-id_97026628,MCULE-6714018061	404.569	ZKXQPDUKXSGYSP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116835
CC(C)c1ccc(S(=O)(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)cc1	EMOLS-id_46182265,ZINC22_96084626,PC-id_97405449	404.569	YXBXNEOWPUNCSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116836
s1c2CCCCCc2c(c1NC(=O)CCN(CC(=O)NC(C)(C)C)CC)C#N	PC-id_60468517	404.569	MHLQSTVEFNYZCK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-116837
[NH+]1(CCn2c(nnc2CCc2ccccc2)CC1)Cc1ccc(N(CC)CC)cc1	PC-id_42277128	404.571	BEPNSTMDFIYRIQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-116838
S(=O)(=O)(NN=C1CSc2sc(=O)sc2SC1)c1ccc(cc1)C	PC-id_56695805	404.571	OZPAITZXGPWYNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116839
CCNC(=NCC(c1cccs1)(O)C)NCCCc1nnc2n1CCCCC2	PC-id_109418942	404.573	AICAIKVFLGWIKL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-116840
CCNC(=NCC(c1ccsc1)(O)C)NCCCc1nnc2n1CCCCC2	PC-id_111654434	404.573	HNRVMJJDKVTFHS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-116841
O=C1N(CCCC[NH+]2CCN(CC2)c2ncccn2)CCSc2c1ccs2	GLL_PC-id_19881076	404.573	MDMBKVIOPFWOME-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-116842
CCNC(=NCc1csc(n1)N(C)C)NCCCc1nnc2n1CCCCC2	PC-id_112075288	404.576	UEZXBSDXJNHCNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116843
c1(C(=O)N(CCC)CCC)c2CCCCCc2sc1NC(=O)c1cccs1	PC-id_1350397,ChEMBL-DNDi_CHEMBL5577837,EMOLS-id_2085546,MCULE-5727827904,ZINC22_1188219,CK1388374,Chemmine_29284,CoCoCo_665367	404.589	YGFXEYYMQKAHKM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-116844
CCCCCCc1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)CC	PC-id_71047763,SCHEMBL14003191	404.589	MRCGLILGOPAMQR-OAQYLSRUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116845
O=C(c1sc2c(c1)CCCCCC2)NCC(c1cccs1)N1CCOCC1	PC-id_17540812,MCULE-4120674027,EMOLS-id_16799373	404.589	SLCKLCSSVIQRHL-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116846
O=C(NC(C(C)(C)C)C(=O)CC)c1nc(n2c1CN(CCC2)C)CCCCCC	PC-id_77869055	404.589	MRCGLILGOPAMQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116847
O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc2c(s1)CCCCCC2	PC-id_25513343,ZINC22_12789846,CoCoCo_3352926	404.589	SLCKLCSSVIQRHL-KRWDZBQOSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116848
O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc2c(s1)CCCCCC2	ZINC22_12789841,PC-id_25513339,CoCoCo_3352925	404.589	SLCKLCSSVIQRHL-QGZVFWFLSA-N	00000000100110000101000000000010000000000000000000000000	31-01-116849
CCCCOC1CC(C1(C)C)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112086409	404.593	RFWFMVADXQKHSZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-116850
CCNC(=NCC1CCCOC1C(C)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111623368	404.593	SIRHQCXQWIFWFA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116851
CCNC(=NCC1(CCO)CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_109476955	404.593	XJXQZISEBXKVAG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116852
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCOC1CCCCC1	PC-id_111397426	404.593	PFQWEMIZGUNJGN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116853
CCNC(=NCCCc1nnc2n1CCCCC2)NCCOC1CCCCCC1	PC-id_111575839	404.593	SVRAIDRIEWHPKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116854
CCOC1CC(C1(CC)CC)NC(=NCCc1nnc2n1CCCCC2)NCC	PC-id_109390648	404.593	UUCPZJPNKGMFPX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-116855
CCOC1CC(C1(CC)CC)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109390374	404.593	XAPDKFITDRDXLR-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-116856
CCOC(C1CCCC1)CCNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112075422	404.593	FNXGIXROGBAOBT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-116857
CCOCCC1(CCCC1)CN=C(NCCc1nnc2n1CCCCC2)NCC	PC-id_109781840	404.593	BRHBBZHMUUYHFN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-116858
CCOCCC1(CCCC1)CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109780674	404.593	ATDXWXPEJVOAIO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-116859
CN=C(NCC1CCCOC1C(C)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111624192	404.593	USBHOFVCAFKXKW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116860
COCCC1(CCCC1)CN=C(NCC)NCCCc1nnc2n1CCCCC2	PC-id_109777790	404.593	VURLOFIIIFWGFV-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-116861
s1c2CCCCCCc2nc1NC(=O)C1CCN(CC1)Cc1nc(sc1)C	PC-id_56431330	404.593	YJNQGZAFEZKLRU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116862
s1c(C(=O)N2CCC(CN3CC(OC(C3)C)C)CC2)cc2c1CCCCCC2	PC-id_56412780	404.609	JXRNYLNHCKNRIP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116863
s1c(NC(=O)C[NH+]2CCC(CC2)C[NH+](CC)CC)c(c2c1CCCCC2)C#N	PC-id_52521324	404.612	INLDDEXLIGTWHQ-UHFFFAOYSA-P	00000000100010000100000000000010000000000000000000000000	31-01-116864
O=C1CCC(=O)Oc2c(O1)c(Cn1ncc(c1)c1ccc(c(c1)Cl)F)nn2C	PC-id_140810660	404.78	BNROISWGEBOOES-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-116865
Brc1sc(C(NCC)c2sc3c(CCCCC3)c2)cc1Cl	PC-id_80531048	404.816	DYNJSEIKFDNWRR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-116866
CCNC(c1cc(c(s1)Cl)Br)c1cc2c(s1)CCCCC2	PC-id_102828562	404.816	FUOBAJVKLXFFRI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-116867
Clc1c(NC(=O)CSc2n3CCCCCc3nn2)cc(cc1)C(F)(F)F	PC-id_7877356	404.838	IDAQUPOCJRXLJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116868
O=C(CSc1nnc2n1CCCCC2)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC22_6098176,MCULE-6460711981,EMOLS-id_3456305,PC-id_4853160,CoCoCo_3082123	404.838	AFFDEMZLTIPEEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116869
COC(=O)COc1ccc(c(c1)Cl)C(=O)N1C/C(=CC)/Nc2c(C1)cnn2C	PC-id_143188701	404.847	RENNPUHLSMQXCG-YIXHJXPBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116870
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)c(O)cc1	PC-id_4031089	404.867	QIFVPJNWVJFFTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116871
Clc1cc(O)c(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_24383958	404.867	NNPXSZFQMOHWOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116872
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)C1CC(=O)N(C1)c1ccc(cc1)Cl	PC-id_90625424	404.871	XDLNKBNERMWDLH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-116873
Clc1c(c2sc(NC(=O)Cn3nc4n(CCCCC4)c3=O)nn2)cccc1	PC-id_56036250	404.874	QULJMRONKGJNHQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-116874
OCCCC1CC(=O)c2c(CC(C1=O)C)nc(n2Cc1ccc(cc1)Cl)OC	SCHEMBL18835051	404.887	WRAWKKOBOYCWHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116875
c12C(=O)N(CCCn1nc(C(=O)NCCCOCC)c2)Cc1ccc(cc1)Cl	PC-id_20964795,MCULE-2851032901,CoCoCo_2544631,EMOLS-id_16324802	404.89	RZVRWYRAQILOLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116876
CCOc1cc(/C=CC(=O)NCc2nnc3n2CCCCC3)cc(c1OC)Cl	CoCoCo_4625737	404.89	XRJGALIRBGBUSY-HJWRWDBZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116877
CCOc1cc(C=CC(=O)NCc2nnc3n2CCCCC3)cc(c1OC)Cl	PC-id_72029354,MCULE-8105276139,EMOLS-id_44054347	404.89	XRJGALIRBGBUSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116878
CCOc1cc(/C=C/C(=O)NCc2nnc3n2CCCCC3)cc(Cl)c1OC	CoCoCo_4625736,PC-id_45866979,ZINC22_40043342	404.89	XRJGALIRBGBUSY-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116879
Clc1ccc(cc1)CC1(O)CCN(C1)C(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_324040522,PC-id_146076870,MCULE-8818299432	404.89	VNTITXLQOYCECV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-116880
O=C(Cn1nc2n(c1=O)CCCCC2)N1CC[C@](O)(Cc2ccc(Cl)cc2)C1	ZINC22_1857530651	404.891	VNTITXLQOYCECV-FQEVSTJZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-116881
O=C(Cn1nc2n(c1=O)CCCCC2)N1CC[C@@](O)(Cc2ccc(Cl)cc2)C1	ZINC22_1857530652	404.891	VNTITXLQOYCECV-HXUWFJFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-116882
Clc1ccc(COc2ccc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_78694026	404.892	WVSVWYFZGUCFSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116883
Clc1ccc(COc2ccc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_8426678	404.892	WVSVWYFZGUCFSS-XMHGGMMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-116884
Clc1c(COc2cc(C=C(c3n4CCCCCc4nn3)C#N)ccc2)cccc1	PC-id_84988758	404.892	ZNKCQTDXLNUVIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116885
Clc1c(COc2cc(/C=C(/c3n4CCCCCc4nn3)C#N)ccc2)cccc1	PC-id_9353362	404.892	ZNKCQTDXLNUVIZ-CPNJWEJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116886
O=C(OCc1nc2ccc(Cl)cc2n1CCO)c1cc2c(s1)CCCCC2	MCULE-4985043600,CoCoCo_2861406,ZINC22_6832108,EMOLS-id_3490794,PC-id_4851024	404.91	HGJPJWIFWSEMAF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-116887
Clc1ccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)N2CCCC2)cc1	EMOLS-id_313791292,ZINC22_2055785100	404.914	FNAVRIYWNKLKSA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-116888
CCC(C1(O)CCCCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)C)C(=O)O	SCHEMBL2522526,PC-id_67438056	404.93	GRCYMDOCULDODY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116889
CCOC(=O)CC1(O)CCCCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)C	SCHEMBL12199235,PC-id_58460233	404.93	YFVQIOHLDMSEIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116890
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)c(Cl)c2c(cccc2)s1	ZINC22_759411,TIMTEC524002,EMOLS-id_1769998,CoCoCo_682790,SCHEMBL16562252,SPECS-id_AK-968/11842367,MCULE-2460364458,PC-id_1070383	404.933	WIFXFTPYAWAYGJ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-116891
Clc1c2c(sc1C(=O)NNC(=O)c1sc3CCCCCc3c1)cccc2	PC-id_18288081	404.933	LKVFZDHFUYXCLY-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-116892
Clc1cc(C(C)C)c(OCC(=O)NCCc2n3CCCCCc3nn2)cc1C	PC-id_55535029	404.934	FOZLGXWGRVQHKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116893
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccc(cc1Cl)OC	PC-id_109787538	404.937	LWAAAPRSRCPBJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116894
CCNC(=NCc1nnc2n1CCCCC2)N(CCOc1ccc(cc1)Cl)C	PC-id_111308358	404.937	JKWTXOFDVFJABA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116895
CCNC(=NCc1nnc2n1CCCCC2)NCC(Oc1ccc(cc1)Cl)C	PC-id_111680724	404.937	VRDCXVBIURZRGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116896
CN=C(NCC(Oc1ccc(cc1)Cl)C)NCCc1nnc2n1CCCCC2	PC-id_111680284	404.937	ULBAEDNLYMIDBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116897
COc1ccc(c(c1)Cl)CCNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_109787550	404.937	WXFPRBOOOUESLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116898
c1(c2CCCCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccc(cc1)Cl	ZINC22_4548983,MCULE-2451145572,EMOLS-id_8301619,CoCoCo_1731100,PC-id_5190802,ChEMBL-DNDi_CHEMBL3261-0327	404.953	QIODMAPWIDSCMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116899
c1(C(=O)N(CC)CC)c2CCCCCc2sc1NC(=O)c1ccccc1Cl	MCULE-5913733940,BAS-00486704,CoCoCo_81717,EMOLS-id_1230899,PC-id_1350699,ZINC22_1188623	404.953	FWJSTCGRJPNTJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116900
Clc1ccc(CNC(=O)CN(C(=O)c2sc3CCCCCc3c2)CC)cc1	PC-id_18288970	404.953	AEILTAURYMSNCI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116901
Clc1cc(NC(=O)CN(C(=O)c2sc3CCCCCc3c2)CC)c(cc1)C	PC-id_18271366	404.953	GGNXEFJKKGBCNQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116902
Clc1c(NC(=O)c2sc3CCCCCCc3c2)cc(C(=O)NC(C)C)cc1	PC-id_52662555	404.953	HNJYOCMAAOPWJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116903
Clc1sc(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)cc1	PC-id_26952087	404.955	INUXZWAHDNGROW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-116904
CC1=C([S]=C(N1)c1ccc(Cl)cc1)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_320527421	404.957	RZXLLYDDWIRGFT-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-116905
N#Cc1c(I)c2-c(c1I)ccccc2	CT-id_2238114,2238114_OpenMolecule	404.973	KKNUOTVFAUEXBN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-116906
Clc1ccc(SCCCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_40701045	404.977	KWLDLRGBDJRQQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116907
Clc1cc(NC(=O)c2sc3CCCCCc3c2)c(N2CC[NH+](CC2)C)cc1	PC-id_2566377	404.977	CQGWXOCTGLRKEA-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-116908
Cc1cc2-c(c1[Si](C1C=CCC=C1)(C1C=CCC=C1)Cl)ccccc2C(C)C	PC-id_69970909,SCHEMBL7049687	405.047	KOPHHUCZWUERMO-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-116909
CC#CCC1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C	PC-id_161255767	405.116	VBWVQOKFIPDQFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116910
C[C@@H]([C@H]1C=CC2=C(N(C=C2S(=N)(=O)N1)C)C(NC3=CC(=C(C=C3)F)C#N)O)O	PC-id_154991364	405.127	RWLFUEROKHJYMQ-KWJRISGQSA-N	00000000100000110111000000000010000000000000000000000000	31-01-116911
CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)N3C=C(C4=CC=CC=C43)C=O	PC-id_165177353	405.14	BPMJUVMJCUPPMM-UHFFFAOYSA-N	00000010100000100110000001100010000000000000000000000000	31-01-116912
CC[N+]1(CCC2=C(CC1)SC(=C2C(=O)N)CC(=O)CC3=CC=C(C=C3)Cl)C	PC-id_161637987	405.14	JLEMPYBYPLMGIP-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-116913
CC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NNC4=[N+]3CCCCC4	PC-id_160334473	405.141	DFZBCWVWPIPBKJ-UHFFFAOYSA-O	00000000100010000101000000010010000000000000000000000000	31-01-116914
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NON=C3C	PC-id_155203760	405.201	GKPRYCBUMCHOSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116915
C/C=CC=C(CC1=C(NC2=C1CC(NCC2)O)C)/C(=C)S(=O)(=O)N3CCCC3	PC-id_164130136	405.209	YMZXSVJETKZOJE-NWZNLSGDSA-N	00000010100000000100000000000010000000000000000000000000	31-01-116916
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(C3=CC(=CO3)C)O	PC-id_155203701	405.226	OJBUPBWBPQFJRW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-116917
Brc1cc(CCn2c3NC=NCC(=O)c3nc2)cc(c1)C(=O)OCC	PC-id_10597404	405.246	UPRVSMXJFWQVLN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-116918
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3CCCCC3	PC-id_155203779	405.263	UFRNJMSMAPALKF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116919
O=C1CCCCc2nnn(c2I)CCCCCCCCO1	PC-id_102340506	405.274	ALYBVSVZNVNMFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116920
Brc1ccc(C(=O)c2n3c(CCCCC3)c(c2N)C(=O)OCC)cc1	PC-id_23794005	405.286	KHJXSTCWJXQTLG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116921
Brc1ccc(C2(NC(=O)Cn3nc4n(CCCCC4)c3=O)CC2)cc1	PC-id_56167425	405.289	GYLXBDPTZYPJPH-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-116922
Brc1c(OCC(=O)Nc2sc3CCCCCc3c2C#N)cccc1	PC-id_38877620	405.309	MMNAGUDKIOCIFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116923
C=CC(=O)Nc1ccc(C(=O)N2CCCc3sc(Br)cc3C2)cc1	ZINC22_2325888919	405.309	NLGUAMRPMHAHRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116924
CC(C)C(C)c1nc(c2n1CCCN(C2)C)C(=O)N[C@H](C(=O)CNC)C(C)(C)C	PC-id_164060838	405.31	WGSRVZKYTVZFOH-XCWJXAQQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-116925
CCCC1=c2oc(cc2=C(CC=C1)C(=O)Nc1c(Cl)cncc1Cl)C(C)C	PC-id_142801435	405.318	IDCUXDNSKUCHRI-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-116926
CC1(c2cccc(Br)c2)CCN(Cc2nnc3n2CCOCC3)CC1	MCULE-8345769487,EMOLS-id_320296142,ZINC22_1614994690	405.332	BOUFQSZTJVRVHS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-116927
CN=C(N(Cc1ccccc1Br)C)NCc1nnc2n1CCCCC2	PC-id_111275997	405.335	PHTTUENCYCKVGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116928
CN=C(N(Cc1ccc(cc1)Br)C)NCc1nnc2n1CCCCC2	PC-id_111293053	405.335	SFKVGUKAWQYUPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116929
C1CN(Cc2ccnn2C1)C(=O)CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16100378,PC-id_86346113	405.337	CHUQYMGZFMYKFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116930
Clc1ccc(cc1)CC1(COc2c(OC1)csc2)Cc1ccc(cc1)Cl	SCHEMBL18626128	405.337	DAVBYELRCFZMOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116931
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(cccc1)C(F)(F)F	PC-id_19527291	405.337	FGYILQDJIICGOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116932
ICCCCCCNC(=O)c1cc2c(s1)CCCCC2	PC-id_107848468	405.337	OBDABBOYQMLZTG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-116933
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C#N	PC-id_22305676,MCULE-3570072933	405.341	IECWGWMCVRZTDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116934
Clc1ccc(/C=C/C(=O)Nc2sc3CCCCCCc3c2C#N)c(Cl)c1	PC-id_1744742,CoCoCo_5822133,EMOLS-id_26498553,TIMTEC211713,ZINC22_2086404,SPECS-id_AK-968/13031173	405.341	IECWGWMCVRZTDI-CSKARUKUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116935
Clc1cc(C=CC(=O)Nc2sc3CCCCCCc3c2C#N)ccc1Cl	PC-id_4569283	405.341	YMAWDJYMLPGSBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116936
Clc1cc(/C=C/C(=O)Nc2sc3CCCCCCc3c2C#N)ccc1Cl	PC-id_6152669	405.341	YMAWDJYMLPGSBQ-CSKARUKUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116937
Clc1c(C=CC(=O)Nc2sc3CCCCCCc3c2C#N)c(Cl)ccc1	PC-id_4160120	405.341	ADJYUUZZHSCZDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116938
Clc1c(/C=C/C(=O)Nc2sc3CCCCCCc3c2C#N)c(Cl)ccc1	PC-id_6024462	405.341	ADJYUUZZHSCZDM-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116939
N#Cc1c(NC(=O)/C=Cc2ccc(cc2Cl)Cl)sc2c1CCCCCC2	CoCoCo_5822134	405.341	IECWGWMCVRZTDI-NTMALXAHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116940
O=C(c1n(C)cc2c1C=CC(NS2=O)C(F)(F)F)Nc1ccc(c(c1)F)F	PC-id_139471432,SCHEMBL21337428	405.342	JCJYVQGEBFNHRK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-116941
BrCc1c2c(sc1C)N(Cc1c(cc(cc1)C)C)C(=O)CN=C2C	PC-id_53915844	405.352	IGZMZPDLTIDYSN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-116942
COC(=O)Cc1ccc2-c(cc1)c(c(c2OC(=O)OC)NC(=O)C)OC(=O)OC	PC-id_17776094,SCHEMBL8332668	405.355	XHWPHBLPLNMSRG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-116943
Clc1c(C2=CCN(CCCc3onc4c3CCCCC4)CC2)cccc1Cl	SCHEMBL7963846,PC-id_59939401	405.361	COVHAYAQSFXUMN-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-116944
Clc1c(C2=CCN(CCCc3n4CCCCCc4nn3)CC2)cccc1Cl	SCHEMBL7959202,PC-id_59939410	405.364	CSKSIKQCLQJLAB-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-116945
Brc1ccc2-c(cc(c2)C#Cc2ccc(CCCCCCC)cc2)cc1	PC-id_21063106	405.37	XDRWMAQWXFNMLG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116946
FC(F)(F)c1cc(C(=O)N2CC(c3c([nH]c(c3)C#N)C(C2)C(=O)O)(C)C)ccc1	PC-id_68925279,SCHEMBL4132387	405.37	JOTOJMPHIJLNIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116947
C1CN(CCc2c1nc(o2)C(=O)Nc1cccc(c1)C(F)(F)F)Cc1cnc[nH]1	PC-id_134808283	405.374	KJDIAUPYWTYEAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116948
s1c2c(nc1Nc1cc([N+](=O)[O-])ccc1)c(C=C1C(=O)C=CC=C1)c(=O)nnc2	PC-id_73318288	405.387	ORTFMGRRVROMOV-UHFFFAOYSA-N	00000000100011110111000000000010000000000000000000000000	31-01-116949
CCOC(=O)Cc1ccc2-c(cc1)c(c(c2OC(=O)OCC)N)OC(=O)OCC	SCHEMBL8334024,PC-id_17776029	405.399	CVTMWOLIQPKCNY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-116950
FC(F)n1c(nc2c1cccc2)C(OC(=O)Cn1nc2n(CCCCC2)c1=O)C	PC-id_55560901	405.399	COPFHTZGMYLIDY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-116951
O1CCOCCOC(=O)c2n(nc(n2)C(=O)OCCOCC1)Cc1ccccc1	PC-id_13466643	405.402	LLDNIATYHKOJAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116952
o1c(=O)c(C(c2c3-c(oc2=O)ccccc3)c2ccc(cc2)C#N)c2-c1ccccc2	PC-id_10692658	405.402	VDPGEFYUEUBTGY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116953
O(CC1n2c(noc2=O)CCCC1)C[C@H](NC(=O)OCc1ccccc1)C(=O)O	PC-id_69896295,SCHEMBL6790519	405.402	DZZNVMXQSYPXGR-LOACHALJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116954
O(CC1n2c(noc2=O)CCCC1)CC(NC(=O)OCc1ccccc1)C(=O)O	PC-id_23500538	405.402	DZZNVMXQSYPXGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116955
O=C1Nc2n(Cc3ccccc3)cnc2C(=O)NC1NC(=O)OCc1ccccc1	PC-id_11795565	405.407	DILSXNDXKVAQMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116956
N#C/C(=C(Nc1ccccc1C(F)(F)F)/[O-])/C(=O)c1cc2c(s1)CCCCC2	GD-id_ZINC51402585	405.413	MLEKIOXCCCHJKS-UYRXBGFRSA-M	00000000100000110100000000000010000000000000000000000000	31-01-116957
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)Cc1ccc(cc1)C(F)(F)F	PC-id_90625663	405.415	MTVMPRCCMNPRNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116958
s1c2CCCCCc2nc1NC(=O)c1c(S(=O)(=O)C(F)(F)F)nccc1	PC-id_56227540	405.415	HIWCZDBQINRUIM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-116959
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc(c2c(F)cccc2F)c1	PC-id_55655720	405.422	ODIQTZGCYCQHAT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-116960
COC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)sc2c1CCCCC2	ZINC22_6119882,MCULE-6489164119,EMOLS-id_43715231,PC-id_7890144,CoCoCo_2896958	405.425	YWTTXNZLTRZCRU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116961
s1c2c(CCCCC2)c(c1NC(=O)COc1c(nccc1)[N+](=O)[O-])C(=O)OC	PC-id_3992160	405.425	UBADNAPWGHMQSL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-116962
c1ccc2-c(cc1)nc(n2)N=P(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_101721846	405.431	DXIYBFRJLQKPAO-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-116963
s1c2CCCCCc2nc1NC(=O)C1CCN(CC1)C(=O)OCC(F)(F)F	PC-id_24604000	405.435	CLHCHNONNBYRGN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-116964
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1c(F)cccc1)C(=O)OC	PC-id_7864066	405.44	GPZPTANSRKRGMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-116965
CCC(C)C(=O)NCc1nnc2CCN(CCn12)C(=O)Cc1cccc(F)c1F	EMOLS-id_232767646,PC-id_45932164,MCULE-9002617886	405.442	TZQQQBGKUVMCIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116966
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(C(=O)Cc1cccc(F)c1F)CC2	ZINC22_12279904	405.442	TZQQQBGKUVMCIL-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116967
CC[C@H](C)C(=O)NCc1nnc2n1CCN(C(=O)Cc1cccc(F)c1F)CC2	ZINC22_12279905	405.442	TZQQQBGKUVMCIL-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116968
Fc1cccc(F)c1CN1CCc2nnc(CCNC(=O)C3CCCO3)n2CC1	MCULE-4500174118,PC-id_45188023,EMOLS-id_20476027	405.442	IRNODQMSIXBZCI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-116969
Fc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)c(F)c1	EMOLS-id_20448163,PC-id_45181536,MCULE-9120731589	405.442	CULRPDICBWGJMK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-116970
Fc1cc(N2CC(CC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1F	PC-id_56131972	405.442	VZGTWALNWMTEHO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-116971
Fc1c(OCC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc(F)c1	PC-id_46449512	405.442	JETCAWCNAIVREV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-116972
O=C(NCCc1nnc2n1CCN(Cc1ccc(F)cc1F)CC2)[C@@H]1CCCO1	PC-id_26276500,CoCoCo_1197760,CoCoCo_1197758,ZINC22_14880734	405.442	CULRPDICBWGJMK-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-116973
O=C(NCCc1nnc2n1CCN(Cc1ccc(F)cc1F)CC2)[C@H]1CCCO1	ZINC22_14880737,PC-id_26276502,CoCoCo_1197757,CoCoCo_1197759	405.442	CULRPDICBWGJMK-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-116974
O=C(NCCc1nnc2n1CCN(Cc1c(F)cccc1F)CC2)[C@@H]1CCCO1	CoCoCo_1237020,ZINC22_20452248,CoCoCo_1237018	405.442	IRNODQMSIXBZCI-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-116975
O=C(NCCc1nnc2n1CCN(Cc1c(F)cccc1F)CC2)[C@H]1CCCO1	ZINC22_20452250,CoCoCo_1237019,CoCoCo_1237017	405.442	IRNODQMSIXBZCI-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-116976
C#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CC[C@@H](NS2(=O)=O)C(O)C	PC-id_145221713	405.443	PIXJKHJVZDSCLK-WVQRXBFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116977
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1C#N	PC-id_78039464	405.443	CTSUGAQIIZRKSZ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-116978
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1[N+]#[C-]	PC-id_72423701	405.443	WKHAQSRUDIJXTC-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-116979
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1C#N	SCHEMBL14621253,PC-id_71219196	405.443	CTSUGAQIIZRKSZ-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-116980
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1[N+]#[C-]	PC-id_58786217	405.443	WKHAQSRUDIJXTC-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-116981
c1ccc2-c(c(cc2)CCC(CC(=O)NO)C(=O)N(c2ccccc2)C(=O)N)cc1	PC-id_88316748	405.446	DGZGGDPTYBLPIG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116982
OCC(C(=O)NC(C(=O)N)Cc1ccccc1)NC(=O)c1cc2-c(c1)ccccc2	PC-id_122524728,SCHEMBL18058695	405.446	YLCJXJLRAVCFET-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116983
ONC(=O)C[C@H](C(=O)N(c1ccccc1)C(=O)N)CCc1ccc2-c1ccccc2	SCHEMBL8524700	405.446	DGZGGDPTYBLPIG-GOSISDBHSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116984
c1ccc2-c(cc1)cc(c2)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_139734222	405.447	JXAWFEZXJVWFKV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-116985
c1(CN(c2ccc3c(OCO3)c2)C(=O)Nc2ccccc2)nnc2CCCCCn12	ZINC22_4518198,PC-id_7267323,MCULE-4911364446,EMOLS-id_10085730,CoCoCo_2580277	405.45	RUQWYCMLXLJIES-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-116986
c1(nnc2CCCCCn12)N(Cc1ccc2c(OCO2)c1)C(=O)Nc1ccccc1	PC-id_4753044,MCULE-3646558898,ZINC22_16769803	405.45	NKANOAOMPIDRPE-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-116987
n12CCN(CCc1nnc2CCNC(=O)c1ccco1)Cc1cc2c(cccc2)o1	MCULE-4544685733,PC-id_28954551,EMOLS-id_20471945,ZINC22_20450855	405.45	FBDFJFCCQCLYFQ-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-116988
n12CCN(CCc1nnc2CNC(=O)C1CC1)C(=O)c1cccc(c1)c1ccco1	MCULE-3401736620,ZINC22_11981030,EMOLS-id_20444597,PC-id_42330905	405.45	DAQKISSEYYXMHC-UHFFFAOYSA-N	00100000101000110101100000000010000000000000000000000000	31-01-116989
n1c2CCCCCn2nc1CN(c1ccc2c(OCO2)c1)C(=O)Nc1ccccc1	PC-id_16458777,CoCoCo_6601988,MCULE-6700175865,ZINC22_28527834	405.45	BGJCKTQYEJVQIC-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-116990
O1c2cc(CN3CCn4c(nnc4CNC(=O)c4ccccc4)CC3)ccc2OC1	PC-id_42192764	405.45	DVNRIWFYQAFILD-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-116991
o1c(CN2CCn3c(nnc3CCNC(=O)c3ccoc3)CC2)cc2c1cccc2	ChEMBL-DNDi_CHEMBL27895845,PC-id_29087934	405.45	BVUPKMFWIZMYSM-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-116992
o1c(C(=O)NCCc2n3CCCCCc3nn2)ccc1COc1c(cccc1)C#N	PC-id_60496332	405.45	JFVLFMYWWAQJJE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-116993
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(NC(=O)c2ccccc2)ccc1	PC-id_55797233	405.45	RTEWEFALLRYXJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116994
O=c1n2CCCCCc2nn1CC(=O)Nc1c(NC(=O)c2ccccc2)cccc1	PC-id_55679668	405.45	SJNVAYHZZSDFBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116995
O=C(NCc1n2CCCCCc2nn1)c1ccc(Oc2ccc(cc2)C(=O)N)cc1	PC-id_56545927	405.45	BWSZGIFBNIXWIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-116996
O=c1n2CCCCCc2nn1CC(=O)N(c1c(n(CCCC)c(=O)[nH]c1=O)N)C	PC-id_55576546	405.451	PAUNSAVIOZMCSV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-116997
OC(=O)[C@H](CNC(=O)c1nn2c(c1)C(=O)N(CCC2)CCCNC1=NCCN1)C	PC-id_141814997	405.451	HZHPABBOUNFWCM-LBPRGKRZSA-N	00000011100000000101000000000010000000000000000000000000	31-01-116998
CC1(CCCN(C1)C(=O)c1cn2CCN(CCc2n1)C(=O)c1cc(c[nH]1)C#N)C#N	EMOLS-id_331133957	405.453	JFDDDJJQBXKMDZ-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-116999
C[C@@]1(C#N)CCCN(C(=O)c2cn3c(n2)CCN(C(=O)c2cc(C#N)c[nH]2)CC3)C1	ZINC22_1875240876	405.453	JFDDDJJQBXKMDZ-NRFANRHFSA-N	00000000110010000101000000000010000000000000000000000000	31-01-117000
C[C@]1(C#N)CCCN(C(=O)c2cn3c(n2)CCN(C(=O)c2cc(C#N)c[nH]2)CC3)C1	ZINC22_1875240877	405.453	JFDDDJJQBXKMDZ-OAQYLSRUSA-N	00000000110010000101000000000010000000000000000000000000	31-01-117001
O=C1C(CCn2c(N1C)cc(n2)C(=C)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366655	405.453	LBVMMKFMJYARPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117002
Fc1ccc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@@H](c2ccccc2)CO)cc1	PC-id_71067616,SCHEMBL14089571	405.465	DFFKESXQEWIQNS-IYYMRFBLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117003
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CCc1occc1)C(=O)OC	PC-id_8387827	405.465	VYKZTODTHCTRCA-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-117004
CCCn1c(N)c(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(=O)[nH]c1=O	EMOLS-id_3527787,MCULE-2909473464,CoCoCo_2861407,ZINC22_5362115,PC-id_7650006	405.468	BSURTEREDVGBPH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-117005
CCOC(=O)c1ccc(NS(=O)(=O)c2cc3C(=O)N(CC)CCCn3c2)cc1	PC-id_53182900,MCULE-2740638281,EMOLS-id_33087158	405.468	SWAUPLROVWDEPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117006
COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)cc(OC)c1OCC(=O)N	CoCoCo_4546243,PC-id_25480093,MCULE-7320676122,EMOLS-id_17157243,ZINC22_12748111	405.468	UCVZFPHSUZKQDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117007
s1c2c(CCCCC2)c(c1NC(=O)c1cn(nc1)CCC(=O)O)C(=O)OCC	PC-id_19471263	405.468	VJDYRPAZDUFTPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117008
s1c2c(CCCCC2)c(c1NC(=O)c1cn(nc1)C(C)C(=O)O)C(=O)OCC	PC-id_19504640	405.468	QOGUNUVMBWEYDD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117009
s1c2c(CCCCC2)c(c1NC(=O)c1n(ncc1)C(C)C(=O)O)C(=O)OCC	PC-id_19487624	405.468	SXKIHYUTFTXXHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117010
s1c2c(CCCCC2)c(c1NC(=O)c1n(ncc1)CCC(=O)O)C(=O)OCC	PC-id_19490164	405.468	DXZCTLNXWVCVGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117011
s1c2c(CCCCC2)c(c1NC(=O)c1nn(C(C)C(=O)O)cc1)C(=O)OCC	PC-id_19504207	405.468	YEUOHICNTMNNCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117012
s1c2c(CCCCC2)c(c1NC(=O)c1nn(CCC(=O)O)cc1)C(=O)OCC	PC-id_19506606	405.468	BVWKTPKMOAYTPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117013
s1c2c(CCCCC2)c(c1NC(=O)CCn1nc(cc1)C(=O)O)C(=O)OCC	PC-id_19470696	405.468	WMQGXIDSJOTYKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117014
s1c2c(CCCCC2)c(c1NC(=O)CCn1ncc(c1)C(=O)O)C(=O)OCC	PC-id_19483044	405.468	AUMPXIBZLKGYCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117015
s1c2c(CCCCC2)c(c1NC(=O)CCn1nccc1C(=O)O)C(=O)OCC	PC-id_19492227	405.468	VCAXHJLXWLJXLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117016
s1c2c(CCCCC2)c(c1NC(=O)C(n1nccc1C(=O)O)C)C(=O)OCC	PC-id_19489691	405.468	BFUMQPPNYDDAPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117017
s1c2c(CCCCC2)c(c1NC(=O)C(n1ncc(c1)C(=O)O)C)C(=O)OCC	PC-id_19505040	405.468	NINBPMJIMNRJIX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117018
s1c2c(CCCCC2)c(c1NC(=O)C(n1nc(cc1)C(=O)O)C)C(=O)OCC	PC-id_19506206	405.468	CPGQSUMYNPTIPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117019
s1c2CCCCCCc2cc1C(=O)OCC(=O)c1c(n(c(=O)n(c1=O)C)C)N	PC-id_16512681	405.468	NZEGLLUYVPDVBR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-117020
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cn1nc(c([N+](=O)[O-])c1C)C	PC-id_25443570	405.471	SQYLCMQYVNZKJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117021
S(=O)(=O)(NC)c1cc2CCN(c2cc1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_56315514	405.471	PPSRCRUELNSSJA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-117022
s1c(NC(=O)C2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)nnc1	PC-id_55958369	405.475	IFGRPZDGHXGBHK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117023
CCCCN(c1nc2n(c1COCC)CCCCC2)C(=O)c1ccc(c(c1)F)F	PC-id_143304802	405.481	LYRHYICIDRTNJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117024
CCn1nnc2c1CCCCC(C2(F)F)Cc1ccc(cc1)C(=O)OC(C)(C)C	SCHEMBL21117183,PC-id_138736903	405.481	WCKNOKPYRIDNEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117025
CC(OC(=O)c1ccc(cc1)CC1CCCCc2c(C1(F)F)nnn2C(C)C)C	PC-id_141666514	405.481	MCKSSKXJHJBFBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117026
c1(NC(=O)C(C)Oc2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	MCULE-9821554033,EMOLS-id_5123334,TIMTEC334590,SPECS-id_AK-968/12341090,PC-id_4187181	405.483	NKVOQAXTJIZOSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117027
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(F)cc2)sc2c1CCCCC2	CoCoCo_1754907,PC-id_1743279,ZINC22_2743329	405.483	NKVOQAXTJIZOSP-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117028
CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)sc2c1CCCCC2	ZINC22_2084534,CoCoCo_1754906,PC-id_5570253	405.483	NKVOQAXTJIZOSP-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117029
O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1cc2c(s1)CCCCC2	EMOLS-id_48205010,MCULE-8991794745,ZINC22_5361855,PC-id_7649872	405.488	JEOYCQDZVDBOIG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-117030
Cc1ccccc1CN1CCc2c(CC1)oc(n2)C(=O)NCCOc1ccccc1	PC-id_134807447	405.489	NWKQFICDCLADKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117031
CCOC(=O)c1c2-c(cc(ccc2)C(C)C)c(c1O)N=Nc1ccc(cc1)N(C)C	PC-id_136858975	405.489	CTBLWLXOWZBNGW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-117032
CCOC(=O)c1c(c(c2-c1cc(ccc2)C(C)C)N=Nc1ccc(cc1)N(C)C)O	PC-id_136858974	405.489	OGFVPSIJTUCHOG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-117033
CC(CCCCn1cnc2c1NC=NCC2O)(C(=O)O)C(=O)NC1CCCCC1	CHEMBL289639,BindingDB_PC-id_10644984,PC-id_10644984	405.491	MZLLRNJSSPQALL-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-117034
COCCn1nc2n(c1=O)CCC(CC2)CC(=O)N(CCc1c(C)noc1C)C	MCULE-7846715045,EMOLS-id_207877406	405.491	QZDYPLMMDXDXMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117035
O=C(OC(C)(C)C)NC1CCn2c(N(C1=O)C)cc(n2)CCN1CC2CC1CO2	SCHEMBL18367419	405.491	AQHBAUCIYXVDHR-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-117036
s1c2CCCCCc2cc1C(=O)NNC(=O)CSc1ccc([N+](=O)[O-])cc1	PC-id_9301154	405.491	ZRHHKNUGFXEZRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117037
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc2c(NC(=O)C2)cc1	PC-id_9184681	405.491	XQXQLIVOKCHYOL-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-117038
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1sc([N+](=O)[O-])cc1)C(=O)NC	PC-id_7475123	405.491	VMBCXDGMVNEFTB-VQHVLOKHSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117039
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1sc([N+](=O)[O-])cc1)C(=O)NC	PC-id_78487965	405.491	VMBCXDGMVNEFTB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117040
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_20411663	405.491	KXZXUTRGLZXXIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117041
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_20411625	405.491	MGFJOEQEHSBKQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117042
s1c2c(CCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cccc1)C(=O)OC	PC-id_20411584	405.491	OHOREGZKLWHWJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117043
c1(c2ccccc2[nH]c1)C(=O)N1CCC(CC1)NC(=O)c1c2CCCCCc2[nH]n1	EMOLS-id_323253945,MCULE-5657850000	405.493	CURYUBLFLXSZME-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-117044
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccccc3)CCn12	MCULE-3272471480,PC-id_45166593,EMOLS-id_232737036	405.493	IDHFFFPCBYUNQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117045
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(CC=Cc3ccccc3)CCn12	PC-id_74793074,MCULE-5420395160	405.493	IOFWCJMTSQJWSZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117046
c1(C(=O)NC2CCN(CC2)C(=O)c2cc3c(cccc3)[nH]2)c2CCCCCc2[nH]n1	EMOLS-id_323250876,MCULE-9200076762	405.493	BIZZEKODVYNIMO-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-117064
c1(CN(c2ccc(cc2)C)C(=O)Nc2ccccc2OC)nnc2CCCCCn12	ChEMBL-DNDi_CHEMBLF2559-0120,CoCoCo_2580202,ZINC22_4518113,EMOLS-id_10086065,MCULE-3545010773,PC-id_7267262	405.493	GYZBJRALOCRGAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117047
c1(CN(c2ccc(cc2)C)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	EMOLS-id_10086578,PC-id_7267264,ChEMBL-DNDi_CHEMBLF2559-0122,ZINC22_4518116,MCULE-2124505239,CoCoCo_2580204	405.493	RPEROGXRBJWBJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117048
c1(CN(c2ccccc2C)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	PC-id_7267316,EMOLS-id_10086602,CoCoCo_2580258,ZINC22_4518187,ChEMBL-DNDi_CHEMBLF2559-0273,MCULE-4689341599	405.493	LHFXDSOFDVIIKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117049
c1(CN(c2ccccc2C)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	CoCoCo_2580257,MCULE-6341754526,ZINC22_4518186,ChEMBL-DNDi_CHEMBLF2559-0272,EMOLS-id_10086600,PC-id_7267315	405.493	ZUQUPZNEUFTXHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117050
c1(CN(c2ccc(cc2)C)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	MCULE-9647226983,ChEMBL-DNDi_CHEMBLF2559-0121,ZINC22_4518115,CoCoCo_2580203,EMOLS-id_10086576,PC-id_7267263	405.493	MWDPHCACBSUOGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117051
c1(CN(c2ccccc2OCC)C(=O)Nc2ccccc2)nnc2CCCCCn12	MCULE-6458046131,PC-id_7267294,EMOLS-id_10085810,ZINC22_4518154,CoCoCo_2580234	405.493	NRIWLSXLVXAWEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117052
c1(CN(c2ccc(cc2)OCC)C(=O)Nc2ccccc2)nnc2CCCCCn12	PC-id_7303239,EMOLS-id_9819691,ZINC22_4614836,TIMTEC471678,MCULE-7970151058,CoCoCo_5791718	405.493	UBTZHIFGUXIJAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117053
c1(CN(c2ccccc2OC)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	EMOLS-id_10085738,CoCoCo_2580195,ChEMBL-DNDi_CHEMBLF2559-0109,PC-id_7267258,ZINC22_4518108,MCULE-4045003347	405.493	XZUCTNPCSWEZJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117054
c1(CN(c2ccc(cc2)OC)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	MCULE-1183337100,ChEMBL-DNDi_CHEMBLF2559-0159,CoCoCo_2580207,ZINC22_4518120,EMOLS-id_10086464,PC-id_7267267	405.493	LESWAWDLLRHBGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117055
c1(CN(c2ccc(cc2)OC)C(=O)Nc2ccccc2C)nnc2CCCCCn12	MCULE-6646206322,PC-id_7267265,CoCoCo_2580205,ZINC22_4518117,EMOLS-id_10086580,ChEMBL-DNDi_CHEMBLF2559-0157	405.493	YNFWPNNBFUGXFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117056
c1(CN(c2ccc(cc2)OC)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	ZINC22_4518118,CoCoCo_2580206,MCULE-7483434531,PC-id_7267266,EMOLS-id_10086462,ChEMBL-DNDi_CHEMBLF2559-0158	405.493	VRJCREFMIHKMQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117057
c1(CN(c2ccccc2OC)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	ZINC22_5223388,EMOLS-id_5701274,MCULE-5287663413,PC-id_7565897,CoCoCo_5142776	405.493	SJKSCCRRHXCAPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117058
c1(CN(c2cccc(C)c2)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	ChEMBL-DNDi_CHEMBLF2559-0201,PC-id_7267284,MCULE-2303852742,CoCoCo_2580224,EMOLS-id_10086686,ZINC22_4518143	405.493	VUXPLOVAMHACPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117059
c1(CN(c2cccc(C)c2)C(=O)Nc2ccccc2OC)nnc2CCCCCn12	CoCoCo_5142784,PC-id_7566039,MCULE-6971157154,Chemmine_46434,ZINC22_5223551,EMOLS-id_5701294	405.493	MNDAJIFSTREOMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117060
c1(CN(c2cccc(C)c2)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	MCULE-4689216988,PC-id_7267283,EMOLS-id_42849710,ChEMBL-DNDi_CHEMBLF2559-0200,ZINC22_4518142,CoCoCo_5142785	405.493	PPTBSYQCMQDLBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117061
c1(CN(c2cccc(OC)c2)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	EMOLS-id_10085702,PC-id_7267248,ChEMBL-DNDi_CHEMBLF2559-0042,MCULE-7138594010,CoCoCo_2580176,ZINC22_4518095	405.493	LXJSGGCWEKCWAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117062
c1(CN(c2cccc(OC)c2)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	ChEMBL-DNDi_CHEMBLF2559-0041,ZINC22_4518094,MCULE-5472896478,PC-id_7267247,EMOLS-id_10086456,CoCoCo_2580175	405.493	SQHGZAGXPDOSID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117063
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)C)C(=O)Nc1ccccc1OC	MCULE-8472326574,PC-id_4752702,ZINC22_8550070	405.493	OSGRFENNHJLPCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117065
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)C)C(=O)Nc1ccc(cc1)OC	ZINC22_8550067,PC-id_4752739,MCULE-9357205615	405.493	UXXNLKRRNZDFCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117066
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)C)C(=O)Nc1cccc(OC)c1	MCULE-5330837301,ZINC22_8550068,PC-id_4752738	405.493	DZOFTZNECYJNMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117067
c1(nnc2CCCCCn12)N(Cc1ccccc1OCC)C(=O)Nc1ccccc1	MCULE-4960005995,ZINC22_8325583,PC-id_4752663	405.493	SYEZGPMVMCMYCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117068
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)OCC)C(=O)Nc1ccccc1	PC-id_1538859,ZINC22_1468170,MCULE-1234964873	405.493	FBEYNVNCXIGPLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117069
c1(nnc2CCCCCn12)N(Cc1ccccc1OC)C(=O)Nc1ccc(cc1)C	PC-id_4752650,ZINC22_8550221,MCULE-3628129684	405.493	NOFJTJLYWQDRGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117070
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)C	PC-id_4752710,MCULE-1811649083,ZINC22_8550214	405.493	RKEYUYIPHYETBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117071
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)OC)C(=O)Nc1ccccc1C	ZINC22_16769860,PC-id_4752740,MCULE-4808198621	405.493	FMNRYZDASJGNGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117072
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)OC)C(=O)Nc1cccc(C)c1	MCULE-4631426919,PC-id_4752709,ZINC22_16769850	405.493	HLUMXLBSCZALTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117073
c1(nnc2CCCCCn12)N(Cc1cccc(C)c1)C(=O)Nc1ccc(cc1)OC	PC-id_4752743,ZINC22_16769866,MCULE-8361294351	405.493	ZHGFFJYRZYRYBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117074
c1(nnc2CCCCCn12)N(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)C	ZINC22_8550217,PC-id_4752610,MCULE-8002544727	405.493	DNEVKBNJKBDECB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117075
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(O)cc3)CCn12	ZINC22_11995512,PC-id_42340286,MCULE-2595118608,EMOLS-id_20454071,CoCoCo_1205941,CoCoCo_1205942	405.493	KPPGDUYFFSWQLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117076
Cc1ccc(NC(=O)CC2CCc3nn(Cc4cccnc4)c(=O)n3CC2)c(C)c1	MCULE-6049433345,EMOLS-id_207877218	405.493	RTWKDWDIRSHHAZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117077
Cc1cc(C(=O)NCc2nnc3CCN(C/C=C/c4ccccc4)CCn23)c(C)o1	EMOLS-id_44853393,CoCoCo_1435846,ZINC22_12048183,PC-id_42376113,CoCoCo_1435849,CoCoCo_1435847,CoCoCo_1435848	405.493	IOFWCJMTSQJWSZ-RMKNXTFCSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117078
CCc1nc(C(=O)N)c(nc1N[C@@H]1CC[C@H](CC1)O)Nc1cc2-c(c1)ccccc2	SCHEMBL10128924	405.493	RXHFHDDJZFSLGG-SAABIXHNSA-N	00000010100010100111000000000010000000000000000000000000	31-01-117079
C/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)CCNC(=O)c1cocc1	CoCoCo_1484626,CoCoCo_1484628	405.493	HNUZWBZVUHCUNK-SDXDJHTJSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117080
C/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1ccco1)C	CoCoCo_1367007,CoCoCo_1367009	405.493	NPZCZNFAIVFTGA-RZPKCTKSSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117081
C/C(=Cc1ccccc1)/CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1ccco1)C	CoCoCo_1367010,CoCoCo_1367008	405.493	NPZCZNFAIVFTGA-WBWKYDSYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117082
C/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1ccco1)C	CoCoCo_1367011,CoCoCo_1367013	405.493	NPZCZNFAIVFTGA-SOBQPUOHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117083
C/C(=Cc1ccccc1)/CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1ccco1)C	CoCoCo_1367014,CoCoCo_1367012	405.493	NPZCZNFAIVFTGA-ODECOBMASA-N	00000000101000110101000000000010000000000000000000000000	31-01-117084
C/C(=Cc1ccccc1)/CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	CoCoCo_1484629,CoCoCo_1484627,EMOLS-id_44853803,ZINC22_14981662,PC-id_26337469	405.493	HNUZWBZVUHCUNK-OBGWFSINSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117085
C/C(=Cc1ccco1)/CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1	CoCoCo_1404003,ChEMBL-DNDi_CHEMBL48152649,PC-id_26355141,EMOLS-id_26008355,CoCoCo_1404001,ZINC22_14999374	405.493	HITCXYGHMKDNMS-NBVRZTHBSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117086
CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1	ZINC22_28527184,CoCoCo_6600639,MCULE-3653479773,PC-id_16458535	405.493	PZDQWARYMOZFDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117087
CN(Cc1ccccc1)Cc1c2CN(C(=O)CCn2nn1)Cc1cc(ccc1)OC	PC-id_134810825	405.493	KMDCPCKFVRUFKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117088
CN(Cc1ccccc1)C(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	EMOLS-id_207877239,MCULE-7316611827	405.493	ODUZTYMRLINCLP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117089
COc1ccccc1CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1	CoCoCo_1302690,PC-id_29153308,EMOLS-id_20521653,MCULE-2919732582,ZINC22_20783667,CoCoCo_1302691	405.493	OSECNQLUQDVMFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117090
COc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(C)cc1	ZINC22_28527842,CoCoCo_6601992,MCULE-3800555276,PC-id_16458781	405.493	VIIKLRPZQJJIIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117091
COc1ccccc1NC(=O)N(Cc1nc2n(n1)CCCCC2)c1ccc(C)cc1	ZINC22_28527892,MCULE-2851416065,CoCoCo_6602136,PC-id_16458801	405.493	TWGMUTKJUFHQPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117092
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccccc2)CC3)c1	ZINC22_12024408	405.493	IDHFFFPCBYUNQH-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117093
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccccc2)CC3)c1	ZINC22_12024412	405.493	IDHFFFPCBYUNQH-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117094
COc1ccc(Cn2cnc3c2C(OCc2cccc(C)c2)N(C)N(C)C=N3)cc1	PC-id_11327202,BindingDB_PC-id_11327202,CHEMBL9700	405.493	KBYPHDBPQQXYGY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-117095
COc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)c1	CoCoCo_6602281,ZINC22_28527931,PC-id_16458814,MCULE-2613483435	405.493	VWJYEFDWCIFKKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117096
COc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(C)cc2)c1	MCULE-4084672425,ZINC22_28527818,PC-id_16458770,CoCoCo_6601944	405.493	ZQFQUGWUQRUZSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117097
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2C)c1	ZINC22_28527995,MCULE-2332742259,PC-id_16458847,CoCoCo_6602352	405.493	WIIPAPCDXLBRSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117098
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)cc2)c1	PC-id_16458835,CoCoCo_6602340,MCULE-2483764962,ZINC22_28527970	405.493	AEECIIHULKCUNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117099
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2C)cc1	CoCoCo_6602342,PC-id_16458837,ZINC22_28527975,MCULE-1969051941	405.493	CCQMOEKBUPQJKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117100
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)cc1	PC-id_16458818,ZINC22_28527938,MCULE-1494858558,CoCoCo_6602285	405.493	VWIKZEXHTUQIBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117101
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(C)cc2)cc1	ZINC22_28527940,MCULE-6573771943,CoCoCo_6602286,PC-id_16458819	405.493	MJKHRVYTQRXEIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117102
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2C)cc1	PC-id_16458848,ZINC22_28527997,MCULE-1828623368,CoCoCo_6602353	405.493	UDWAQSOVYGCYAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117103
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)cc2)cc1	PC-id_16458836,MCULE-6463924183,ZINC22_28527973,CoCoCo_6602341	405.493	QXFOTJMNXXCGQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117104
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(C)c2)cc1	ZINC22_28534627,PC-id_16458870,CoCoCo_6602426,MCULE-3164531627	405.493	CBMFLSHCCCRAPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117105
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)CC(=Cc1ccccc1)C	MCULE-4394199145,PC-id_74498045	405.493	HNUZWBZVUHCUNK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117106
n12CCN(CCc1nnc2CCNC(=O)COc1ccccc1)Cc1ccccc1	PC-id_29259348,CoCoCo_1361711,ZINC22_20999887,EMOLS-id_20562219,CoCoCo_1361712,MCULE-2357350920	405.493	LNKUOCLDUMQZML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117107
n12CCN(CCc1nnc2CNC(=O)Cc1ccccc1)CC(=Cc1ccco1)C	MCULE-2797845263,PC-id_74501328	405.493	HITCXYGHMKDNMS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117108
o1c(CN2C(Cc3c2cccc3)C)c(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_56564520	405.493	IFXPTUKQVPUQAP-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-117109
OC1CCC(Nc2nc(Nc3cc4-c(c3)ccccc4)c(nc2CC)C(=O)N)CC1	PC-id_68042227	405.493	RXHFHDDJZFSLGG-UHFFFAOYSA-N	00000010100010100111000000000010000000000000000000000000	31-01-117110
O(c1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2ccccc2)cc(cc1)C)C	PC-id_7566135	405.493	CVUSSMOZHKHLRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117111
O(c1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2c(cccc2)C)cccc1)C	PC-id_7565884	405.493	RIBZGKNEIVZRPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117112
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(NC(c2ccccc2)C)cc1	PC-id_56115683	405.493	LFOAZGLXPUANBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117113
O=c1n2CCCCCc2nn1CC(=O)Nc1c(N(Cc2ccccc2)C)cccc1	PC-id_56190577	405.493	LKKPOJGJIYXBGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117114
O=c1n2CCCCCc2nn1CC(=O)N(Cc1c(cccc1)C)Cc1cccnc1	PC-id_55982337	405.493	RMSSJVWVTZELEQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117115
O=C(Cc1ccccc1)NCc1nnc2n1CCN(CC2)C/C(=Cc1ccco1)/C	CoCoCo_1404000,CoCoCo_1404002	405.493	HITCXYGHMKDNMS-JXAWBTAJSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117116
O=C(Nc1ccccc1Oc1cccc(c1)C)NCCc1nnc2n1CCCCC2	PC-id_112824835	405.493	SARBMUFHDWYZRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117117
O=C(Nc1nc2-c(n1)ccc(/N=N/c1ccc(OC)cc1)cc2)CCCCCCC	PC-id_85993420	405.493	XSECHURBTDGLMF-BYYHNAKLSA-N	00000010100000110111000000000010000000000000000000000000	31-01-117118
O=C(N(Cc1n2CCCCCc2nn1)c1c(cccc1)C)Nc1c(OC)cccc1	PC-id_7566088	405.493	UMEUHOPZXCSRCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117119
O=C(N(Cc1n2CCCCCc2nn1)c1cc(OC)ccc1)Nc1c(cccc1)C	PC-id_7565904	405.493	PPIIHMJJHITOQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117120
O=C(NC(c1n2CCN(CCc2nn1)C/C(=C/c1ccccc1)/C)C)c1occc1	PC-id_45208563	405.493	NPZCZNFAIVFTGA-BMRADRMJSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117121
O=C(NC(c1n2CCN(CCc2nn1)CC(=Cc1ccccc1)C)C)c1occc1	PC-id_75100404	405.493	NPZCZNFAIVFTGA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117122
O=C(NCCc1n2CCCCCc2nn1)c1c(Nc2ccc(OC)cc2)cccc1	PC-id_52251449	405.493	PFNCVGFSCHZOGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117123
O=C(NCCc1n2CCCCCc2nn1)Nc1c(COc2ccccc2)cccc1	PC-id_60543418	405.493	LOYREJOFKUXUOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117124
COC(=O)c1sc2nc(CSc3nnc4n3CCCCC4)[nH]c(=O)c2c1C	PC-id_7876938,EMOLS-id_45708088,MCULE-1501956043,ZINC22_6097508	405.494	MTNFNZPWGIOYSN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-117125
S(c1n2CCCCCc2nn1)CC1=NC(=O)C2C(=C(SC2=N1)C(=O)OC)C	PC-id_78559237	405.494	WABFFUDXDQNKLG-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-117126
s1c2CCCCCCCCCCc2nc1NC(=O)CN[N+]1=CN=NC(=O)C1=O	PC-id_85463195	405.495	ANTVQQOSBCDKIN-UHFFFAOYSA-O	00000000100011000101000000000010000000000000000000000000	31-01-117127
CN(Cc1cccnc1)C[C@@H]1CN(C(=O)CCc2cncnc2)Cc2nccn2C1	ZINC22_585110692	405.496	SGWHDSLJVSGARG-FQEVSTJZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-117128
CN(Cc1cccnc1)C[C@H]1CN(C(=O)CCc2cncnc2)Cc2nccn2C1	ZINC22_585110693	405.496	SGWHDSLJVSGARG-HXUWFJFHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-117129
CN(CC1CN(Cc2nccn2C1)C(=O)CCc1cncnc1)Cc1cccnc1	EMOLS-id_313724891	405.496	SGWHDSLJVSGARG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-117130
n12CCN(CCc1nnc2Cc1cccnc1)C(=O)CCc1c2CCCCc2[nH]n1	EMOLS-id_316223045,ZINC22_1506418581,MCULE-5758406543	405.496	SCAUWPZGMQHJCG-UHFFFAOYSA-N	00000000100010101101000000010010000000000000000000000000	31-01-117131
O=C(c1cncn1c1ccccc1)N1CCN(Cc2nnc3n2CCCCC3)CC1	EMOLS-id_24494033,MCULE-6069545820,ZINC22_32882708,PC-id_40117693,CoCoCo_4526318	405.496	WYDJRJWEBBNHCQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-117132
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1nn(cc1)c1ccccc1	PC-id_46438606	405.496	MDYXNEWRYDIXHC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-117133
CC1CCCC/C=C/Cc2c(SN1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL21337236,PC-id_139471237	405.505	KWXLSNRQZIMOAA-FNORWQNLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-117134
c1(c2CCCCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)OC(C)C	SPECS-id_AK-968/13031246,EMOLS-id_2196543,MCULE-5482683543,ChEMBL-DNDi_CHEMBL1332760,PC-id_2931300,TIMTEC558415,CHEMBL1332760	405.508	XUTXGMTUPLPAHK-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117135
c1(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_4084342,ChEMBL-DNDi_CHEMBL1415673,MCULE-6318657261,CHEMBL1415673,TIMTEC584932,PC-id_4393875,SPECS-id_AK-968/41024524,BindingDB-id_124340,BindingDB_PC-id_4393875	405.508	YYFJXWVWFNDEQO-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117136
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCCCC2)c1C(=O)OCCC	EMOLS-id_1128765,MCULE-5813090143,TIMTEC567335,PC-id_4323084	405.508	YEQKWUNUSLOHAO-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117137
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_2931921,MCULE-2945498511,TIMTEC506274,EMOLS-id_2198174	405.508	VOLYQIPGIGYEAK-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117138
CCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_6792981,PC-id_40421752,ZINC22_2486548	405.508	YEQKWUNUSLOHAO-ZIAGYGMSSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117139
CC(C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_897651,ZINC22_3864248,PC-id_1011117	405.508	XUTXGMTUPLPAHK-UONOGXRCSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117140
CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_897653,ZINC22_4613980,PC-id_7058299	405.508	XUTXGMTUPLPAHK-KGLIPLIRSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117141
CCCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	PC-id_40421750,CoCoCo_6792982,ZINC22_2486547	405.508	YEQKWUNUSLOHAO-UONOGXRCSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117142
CCCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_40421754,ZINC22_2486550,CoCoCo_6792983	405.508	YEQKWUNUSLOHAO-KBPBESRZSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117143
CCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_3634280,PC-id_40462271,CoCoCo_6792984	405.508	YEQKWUNUSLOHAO-KGLIPLIRSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117144
CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_3864249,PC-id_1011119,CoCoCo_897650	405.508	XUTXGMTUPLPAHK-ZIAGYGMSSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117145
CC(C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_3864250,CoCoCo_897652,PC-id_1011120	405.508	XUTXGMTUPLPAHK-KBPBESRZSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117146
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCC2	CoCoCo_900417,ZINC22_3983154,PC-id_1221260	405.508	VOLYQIPGIGYEAK-ZIAGYGMSSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117147
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCC2	PC-id_7067904,CoCoCo_900414,ZINC22_4894249	405.508	VOLYQIPGIGYEAK-KGLIPLIRSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117148
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_3983155,PC-id_1221261,CoCoCo_900416	405.508	VOLYQIPGIGYEAK-KBPBESRZSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117149
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_4894250,PC-id_7067906,CoCoCo_900415	405.508	VOLYQIPGIGYEAK-UONOGXRCSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117150
COC(=O)c1c(NC(=O)[C@H]2CC(=C(C)C[C@@H]2C(=O)O)C)sc2c1CCCCC2	CoCoCo_5837290,ZINC22_3864108,PC-id_995878	405.508	YYFJXWVWFNDEQO-GJZGRUSLSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117151
COC(=O)c1c(NC(=O)[C@@H]2CC(=C(C)C[C@H]2C(=O)O)C)sc2c1CCCCC2	CoCoCo_5837293,ZINC22_3864107,PC-id_995877	405.508	YYFJXWVWFNDEQO-HUUCEWRRSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117152
COC(=O)c1c(NC(=O)[C@@H]2CC(=C(C)C[C@@H]2C(=O)O)C)sc2c1CCCCC2	PC-id_995880,ZINC22_4651419,CoCoCo_5837292	405.508	YYFJXWVWFNDEQO-CABCVRRESA-N	00000000100011000100000000000010000000000000000000000000	31-01-117153
COC(=O)c1c(NC(=O)[C@H]2CC(=C(C)C[C@H]2C(=O)O)C)sc2c1CCCCC2	ZINC22_4651420,CoCoCo_5837291,PC-id_995875	405.508	YYFJXWVWFNDEQO-LSDHHAIUSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117154
s1c2c(CCCCCC2)c(c1NC(=O)C1=C(CCCC1)C(=O)O)C(=O)OCC	PC-id_53270823	405.508	TZTLJXQFVXACRN-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117155
c1(NC(=S)NC(=O)c2ccc(cc2)F)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_1740199,PC-id_1932974,TIMTEC408519,EMOLS-id_4457045,ZINC22_2316376,MCULE-3401777560,STOCK2S-75275	405.509	QPKRIOZXZPQDCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117156
c1(NC(=S)NC(=O)c2ccccc2F)sc2c(CCCCCC2)c1C(=O)N	STOCK2S-75056,CoCoCo_1740200,ZINC22_2316281,PC-id_1932865,MCULE-5066300774,EMOLS-id_4456904	405.509	FHCKYNUIQPXFMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117157
c1(NC(=S)NC(=O)c2cccc(F)c2)sc2c(CCCCCC2)c1C(=O)N	MCULE-4354670127,EMOLS-id_4457277,ZINC22_2316537,TIMTEC143964,STOCK2S-75639,CoCoCo_1740201,PC-id_1933126	405.509	FGHDXDMMUPIUMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117158
O=C(C(c1ccccc1)c1ccccc1)Nc1sc2c(c1C(=O)O)CCCCC2	CoCoCo_6877021,PC-id_1724431	405.509	PBYDICJFXWXUOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117159
s1c2CCCCCc2cc1C(=O)OCc1ccc(cc1)C(=O)Nc1ccccc1	PC-id_7351950	405.509	JHMXTGKYPAIULY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117160
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(c2ccccc2)cccc1	PC-id_16509393	405.509	VMZATVAPJVVKNE-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-117161
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)c1ccccc1)C(=O)OC	PC-id_4144803	405.509	FZAXPVASJZKPCL-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-117162
S(c1n2CCCCCc2nn1)Cc1c2c(sc1C(=O)OCC)cccc2F	PC-id_8211701	405.509	AKXXADWSEWGECR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-117163
O=C(c1cc(c2-c1ccccc2)Cc1scc(n1)c1ccccc1)c1ccccc1	PC-id_139814859	405.511	NLZAABDCOVVJMF-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-117164
s1c2c(CCCCC2)c(c1NC(=O)CCc1onc(n1)C(C)(C)C)C(=O)OC	PC-id_55762832	405.511	KZFPHSCMASKFOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117165
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCCCCNC(=O)C)C#N	PC-id_55734779	405.511	YWFILZBTUBNUDU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117166
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNC(=O)CCC(C)C)C#N	PC-id_56473085	405.511	NBMSEPPSKRHDGC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117167
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C1CCCCC1)C(=O)OCC	PC-id_19660752	405.511	FOBVRECCUJFUOM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117168
c1(c2CCCCCc2sc1N=Cc1ccccn1)C(=O)Nc1ccc(cc1)OC	MCULE-4473953338,PC-id_5170404	405.513	IOKJRAABTGNBHS-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117169
c1(c2CCCCCc2sc1N=Cc1cccnc1)C(=O)Nc1ccc(cc1)OC	PC-id_3792292,MCULE-5165009605	405.513	XQIVZLPJRMAFJD-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117170
c1(c2CCCCCc2sc1N=Cc1ccncc1)C(=O)Nc1ccc(cc1)OC	MCULE-9492046284,PC-id_3767371	405.513	ASLXCLALVQJCIP-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117171
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccccn1	MCULE-9173525007,EMOLS-id_6767617,TIMTEC152744,ZINC22_2811373,PC-id_2173652,CoCoCo_1949377	405.513	FQBYACQZRXKXHC-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117172
c1(c2CCCCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1ccccc1C	MCULE-5125290878,PC-id_1284340,BAS-00486739,CoCoCo_81734,Chemmine_6631,EMOLS-id_1230939,ZINC22_1104468	405.513	FWBFVRBTBBTIOX-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117173
c1(c2CCCCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1ccc(cc1)C	PC-id_1202859,MCULE-2149525101,BAS-00486800,EMOLS-id_1230999,CoCoCo_81764,ZINC22_970532	405.513	CGNXGUZHZXAWGV-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117174
c1(c2CCCCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1cccc(C)c1	MCULE-7815606965,BAS-00486803,ZINC22_659405,PC-id_1002872,EMOLS-id_1231001,CoCoCo_81765	405.513	CTTVJBHOIYKKQO-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117175
c1(c2CCCCCc2sc1NC(=O)c1ccncc1)C(=O)Nc1ccccc1C	BAS-00486738,ZINC22_1188218,MCULE-6678093344,CoCoCo_81733,EMOLS-id_1230937,PC-id_1350396	405.513	GBAZFKBRFHLRJU-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117176
s1c2CCN(CCc2nc1N)CC=Cc1cc(cc(OCc2ccccc2)c1)C	PC-id_53783829	405.556	DXCIIQUHJNWAQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117294
c1(NC(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)NCc1cccnc1	EMOLS-id_2009483,MCULE-1242158248,ChEMBL-DNDi_CHEMBL7948578,CoCoCo_543206,ZINC22_1056009,TIMTEC176643,PC-id_1247184	405.513	GQTXDLHEQMVFMD-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117177
COc1ccc(cc1)NC(=O)c1c(/N=Cc2ccccn2)sc2c1CCCCC2	CoCoCo_6728443	405.513	IOKJRAABTGNBHS-MYYYXRDXSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117178
COc1ccc(cc1)NC(=O)c1c(/N=Cc2cccnc2)sc2c1CCCCC2	CoCoCo_6728499	405.513	XQIVZLPJRMAFJD-MYYYXRDXSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117179
COc1ccc(cc1)NC(=O)c1c(/N=Cc2ccncc2)sc2c1CCCCC2	CoCoCo_6728507	405.513	ASLXCLALVQJCIP-MYYYXRDXSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117180
COc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2ccccn2)cc1	PC-id_9610515,TIMTEC221090,ZINC22_4545790,EMOLS-id_46413477,CoCoCo_6728442	405.513	IOKJRAABTGNBHS-MFKUBSTISA-N	00000000100000111100000000000010000000000000000000000000	31-01-117181
COc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2cccnc2)cc1	PC-id_9636210,EMOLS-id_46413521,CoCoCo_6728498,ZINC22_4545793	405.513	XQIVZLPJRMAFJD-MFKUBSTISA-N	00000000100000111100000000000010000000000000000000000000	31-01-117182
COc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2ccncc2)cc1	EMOLS-id_46413529,PC-id_9635006,ZINC22_4545794,CoCoCo_6728506	405.513	ASLXCLALVQJCIP-MFKUBSTISA-N	00000000100000111100000000000010000000000000000000000000	31-01-117183
O=C(Cc1ccccc1C)Nc1ccc(cn1)C(=O)N1CCCCc2c1ccs2	SCHEMBL6993483,PC-id_21467140	405.513	CZWGGNOFLWCACP-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117184
O=C(C(c1ccccc1)NC(=O)c1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_112807882	405.513	KVNLHUPENFFNEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117185
O=C(N1CCCCc2c1ccs2)c1ccc(nc1)NC(=O)c1cccc(c1C)C	PC-id_9822570,GLL_PC-id_9822570,SCHEMBL9054176	405.513	NKVIMSBZXSQDCC-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117186
O=C(N(c1ccccc1)C)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_21467130,SCHEMBL8884989	405.513	CCKRIWFSNRWTNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117187
O=C(Nc1ccccc1C)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	SCHEMBL6991328,PC-id_19029050	405.513	NWGZOKWEGFLMSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117188
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccccc1)C(=O)Nc1ncccc1	PC-id_76332147	405.513	FSUASHLJRPPAJD-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117189
s1c2CCCCCCc2cc1C(=O)Nc1cc(NC(=O)c2cccnc2)ccc1	PC-id_46481326	405.513	OAEAFQALBODKCY-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-117190
CCNS(=O)(=O)c1ccc(cc1)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_86884603	405.514	USQZDMOMGRRVGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117191
COc1ccc(cc1)S(=O)(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	EMOLS-id_44370752,PC-id_97519684,ZINC22_96259602	405.514	TZTBZDSDXQEKOC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-117192
COc1cccc(c1)S(=O)(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	ZINC22_96259603,PC-id_97519685,EMOLS-id_44370754	405.514	DSCFRPMQBRVOGV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-117193
S(=O)(=O)(Nc1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1)CCC	PC-id_52413968	405.514	KPLMVRXULQFFDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117194
S(=O)(=O)(N(CC)CC)c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_60520560	405.514	LTFMKXQWJFIOTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117195
S(=O)(=O)(NC(C(C)C)C(=O)NCc1n2CCCCCc2nn1)c1ccccc1	PC-id_74311132	405.514	MTMUJNKUJOAUFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117196
S(=O)(=O)(N[C@@H](C(C)C)C(=O)NCc1n2CCCCCc2nn1)c1ccccc1	PC-id_24676677	405.514	MTMUJNKUJOAUFF-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117197
CCc1cc(nn1CC(=O)N1CCc2c(CC1)sc(n2)C)c1cccc(c1)C#N	PC-id_89608130,SCHEMBL15002220	405.516	ZYLKHRHMXRJYAY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117198
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)CCc1cccnc1	PC-id_42166815	405.516	DEZYUOBUVBEMSA-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-117199
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C)CCc1cccnc1	PC-id_42277340	405.516	LITBHQGYCSDRKY-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-117200
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(ccc(c1)C)C)C)c1cccnc1	PC-id_74798827	405.516	AMUWAVNCUGJBRX-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-117201
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C	PC-id_26279517	405.516	DLIPQISZMXGLQM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-117202
O=C(NCc1n2CC[NH+](CCc2nn1)CCC(c1ccccc1)C)c1ccncc1	PC-id_74805182	405.516	ULIGTTFJDBDIRG-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-117203
O=C(NCc1n2CC[NH+](CCc2nn1)CC[C@@H](c1ccccc1)C)c1ccncc1	PC-id_42459264	405.516	ULIGTTFJDBDIRG-SFHVURJKSA-O	00000000100000111101000000000010000000000000000000000000	31-01-117204
O=C(NCc1n2CC[NH+](CCc2nn1)CC[C@H](c1ccccc1)C)c1ccncc1	PC-id_42459269	405.516	ULIGTTFJDBDIRG-GOSISDBHSA-O	00000000100000111101000000000010000000000000000000000000	31-01-117205
O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2CCCCCn12)c1cccs1	MCULE-6480310177,BindingDB-id_78696,BindingDB_PC-id_2998406,ChEMBL-DNDi_CHEMBL1903901,PC-id_2998406,EMOLS-id_42750777	405.516	CNBSRHBQTKUNMD-UHFFFAOYSA-N	00000000100100100101000001100010000000000000000000000000	31-01-117206
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(ccc(c1)C)C)C)c1cccnc1	PC-id_42356018	405.516	AMUWAVNCUGJBRX-GOSISDBHSA-O	00000000100000111101000000000010000000000000000000000000	31-01-117207
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(ccc(c1)C)C)C)c1cccnc1	PC-id_42356022	405.516	AMUWAVNCUGJBRX-SFHVURJKSA-O	00000000100000111101000000000010000000000000000000000000	31-01-117208
O=C(N[C@@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1cccs1	PC-id_2321199,ZINC22_3192063	405.516	CNBSRHBQTKUNMD-SFHVURJKSA-N	00000000100100100101000001100010000000000000000000000000	31-01-117209
O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1cccs1	PC-id_2321200,ZINC22_3192065	405.516	CNBSRHBQTKUNMD-GOSISDBHSA-N	00000000100100100101000001100010000000000000000000000000	31-01-117210
S1C(=C(c2n3CCCCCc3nn2)C#N)N(C(=C1)c1ccc(OC)cc1)CC=C	PC-id_3573801	405.516	HXIMRWXVJXLVRU-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-117211
CCSc1c2C(=O)CC(CC(=O)c2[nH]c1S(=O)(=O)c1ccc(cc1)C)(C)C	CT-id_7153185,PC-id_72545968,7153185_OpenMolecule	405.531	YRFZOFLOYXJLHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117212
O=C(c1ccccc1)C[S+](c1cc2-c(c1)ccccc2)c1cc2-c(c1)ccccc2	PC-id_139727277	405.531	HFRAGASSEQXNCC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-117213
[O-]C(=O)CCCC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCCC2	GD-id_ZINC17087432,PC-id_27524331	405.531	PPDGLIXSWZXKLD-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-117214
s1c2c(CCCCC2)c(c1NC(=O)CSc1ccc(OC)cc1)C(=O)OC	PC-id_41320605	405.531	HTALWCMKJMKRCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117215
s1c2CCN(CCc2nc1N)CC=Cc1c(ccc(OCc2ccccc2)c1)C	PC-id_53824781	405.556	FYHWUADRGCBMEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117295
Cc1ccc(cc1)C(=O)c1c(NC(=O)C[n+]2ccccc2)sc2c1CCCCC2	PC-id_3219002,ASN-06262733,ZINC22_4889471,GD-id_ZINC04889471,EMOLS-id_6627451	405.532	ZVCUTWZSIOAXJT-UHFFFAOYSA-O	00000000100000111100000000000010000000000000000000000000	31-01-117216
CCOC1=C(C=c2c(=CC1)[nH]cc2)C(=O)N1C[C@H](C)N(CC1C)Cc1ccccc1	PC-id_142871815	405.533	IOLZZDQTVPACOT-OYKVQYDMSA-N	00000000100010110111000000000010000000000000000000000000	31-01-117217
O1CCN(CCCc2c3c([nH]c2C=C2c4c(NC2=O)cccc4)CCCCC3)CC1	PC-id_72651854	405.533	YIILSUQQOCXSMX-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-117218
O1CCN(CCCc2c3c([nH]c2/C=C/c4c(NC2=O)cccc4)CCCCC3)CC1	SCHEMBL6704004,PC-id_60113771	405.533	YIILSUQQOCXSMX-FXBPSFAMSA-N	00000010100010100101000000001010000000000000000000000000	31-01-117219
c1(cc2c(CCCCC2)s1)C(=O)NNC(=S)Nc1ccc(c(OC)c1)OC	MCULE-3057489925,PC-id_1295811,CoCoCo_990584,EMOLS-id_2026269,TIMTEC558954	405.534	XVJBFAAFNSZTRP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117220
C/C(=N/NC(=O)c1cc2CCCCCc2s1)/c1cccc(NS(=O)(=O)C)c1	EMOLS-id_46458654,TIMTEC80134,PC-id_19631453	405.534	BMZOVBSONLWESZ-MOSHPQCFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117221
O1C(CN(CC2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)CC1C)C	PC-id_56403496	405.534	SOOOBUKBNJIQBN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117222
O=C(c1cc2c(s1)CCCCC2)N/N=C(/c1cccc(c1)NS(=O)(=O)C)C	PC-id_17349586,CoCoCo_6835129,CoCoCo_6835128	405.534	BMZOVBSONLWESZ-DEDYPNTBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117223
O=C(NCCCCCC)C1CCCN(C1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_56248329	405.534	SAGLZKNIWJTGES-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117224
s1c2CCCCCc2cc1C(=O)NN=C(c1ccc(S(=O)(=O)NC)cc1)C	PC-id_78620782	405.534	ARQXIDFKVPECBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117225
s1c2CCCCCc2cc1C(=O)N/N=C(c1ccc(S(=O)(=O)NC)cc1)/C	PC-id_8159474	405.534	ARQXIDFKVPECBX-BKUYFWCQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117226
s1c2c(CCCCC2)c(c1NC(=O)CCCNC(=O)c1sccc1)C(=O)N	PC-id_55362855	405.534	PUTSYDAVGNOOJW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117227
s1c2c(CCCCC2)c(c1NC(=O)CCSc1ncccn1)C(=O)OCC	PC-id_24084298	405.534	YUDLHTPARJHNSP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-117228
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)C(=O)OCC)C)C#N	PC-id_9431214	405.534	QRACGZUFPUCBOY-AWEZNQCLSA-O	00000000100010000101000000000010000000000000000000000000	31-01-117229
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)C(=O)OCC)C)C#N	PC-id_9431216	405.534	QRACGZUFPUCBOY-CQSZACIVSA-O	00000000100010000101000000000010000000000000000000000000	31-01-117230
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCN(CC1)C(=O)OCC)C)C#N	PC-id_85008276	405.534	QRACGZUFPUCBOY-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-117231
s1c2c(CCCCC2)c(c1NC(=O)CSc1nc(ccn1)C)C(=O)OCC	PC-id_19643957	405.534	ZNWDMIWURICKDA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-117232
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1ncccn1)C)C(=O)OCC	PC-id_23792206	405.534	IJJDMUQRVISRTF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-117233
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1sc(CNC(=O)C)cc1	PC-id_56150250	405.534	OUDLUCYYQBJJPB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117234
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCNC(=O)c1sccc1	PC-id_24643143	405.534	LOGOOKAIWBRPQE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117235
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1sc(cc1)C	PC-id_24409828	405.534	HIZTXYTVDIFBDB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117236
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(NC(=O)c1sccc1)C	PC-id_46643351	405.534	OHRRXTUNUHYJLM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117237
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1ncccn1)C(=O)OC	PC-id_24111301	405.534	XYICZDVDRNLQHT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-117238
s1c2c(CCCCCC2)c(c1NC(=O)CSc1nc(ccn1)C)C(=O)OC	PC-id_19643940	405.534	BAUQSDRBMSTRJQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-117239
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1ncccn1)C)C(=O)OC	PC-id_23998273	405.534	PQUJFAYNMFGBLS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-117240
s1c2c(CCCCCC2)c(c1NC(=O)CSc1ncccn1)C(=O)OCC	PC-id_4688135	405.534	SALFAHHWTJCHPT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-117241
S1(=O)(=O)CC(N(CC(=O)Nc2sc3c(CCCCC3)c2C#N)CC#C)CC1	PC-id_56541342	405.534	LPCGCZGYKUGSIM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-117242
S(=O)(=O)(C)Nc1cccc(c1)C(=NNC(=O)c1cc2c(CCCCC2)s1)C	MCULE-5140480918,PC-id_72175212	405.534	BMZOVBSONLWESZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117243
S(=O)(=O)(N1C(Cc2c1ccc(c2)C(=O)Nc1sc2CCCCCc2n1)C)C	PC-id_46699304	405.534	GEMIIJWRKNOSKB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-117244
S(=O)(=O)(NC1CC1)c1ccc(cc1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56021979	405.534	QQRXDIYDOUGNCZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-117245
S(=O)(=O)(NCC1CC1)c1cc(C(=O)Nc2sc3CCCCCc3n2)ccc1	PC-id_37025051	405.534	QDVIDDJPKNJHBK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-117246
c1(ccc2CN(CCCn12)Cc1ccccc1)C(=O)N(CC)Cc1cnn(CC)c1	EMOLS-id_317416025,MCULE-1869450718	405.536	FMIDFPONGYEEQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117247
c1(C(=O)NCC2(CCCCC2)Cc2[nH]c3c(cccc3)n2)c2CCCCCc2[nH]n1	MCULE-6176500770,EMOLS-id_323253948	405.536	LRTUOBYWPUALNU-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-117248
CC1(C)[C@H]2CC=C(CN3CCc4nnc(CNC(=O)c5ccccc5)n4CC3)[C@@H]1C2	EMOLS-id_25999575,MCULE-3224394060,ZINC22_11909331,PC-id_42273199	405.536	CDEORXGWODWZNO-PMACEKPBSA-N	00001000100011110101001000000010000000000000000000000000	31-01-117249
O=C(c1cc(n(c1C)[C@H](c1ccccc1)C)C)NCCc1nnc2n1CCCCC2	GD-id_ZINC45340794	405.536	UNNRNRWRDDRGDF-SFHVURJKSA-N	00000000110000110101000000000010000000000000000000000000	31-01-117250
O=C(NCc1n2CCN(CC3=CCC4C(C3C4)(C)C)CCc2nn1)c1ccccc1	PC-id_74786850	405.536	CDEORXGWODWZNO-UHFFFAOYSA-N	00001000100011110101001000000010000000000000000000000000	31-01-117251
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc2n1CCCCC2	EMOLS-id_15262529,SCHEMBL21045595,MCULE-5665585174,PC-id_17484879	405.538	MCBFMHVCSHCBEP-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-117252
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1sc2c(c1C(=O)N)CCC2	CoCoCo_4173151,PC-id_25554260,ZINC22_12853963	405.538	MCBFMHVCSHCBEP-SNVBAGLBSA-N	00000010100000000101000010000010000000000000000000000000	31-01-117253
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_25554263,CoCoCo_4173152,ZINC22_12853967	405.538	MCBFMHVCSHCBEP-JTQLQIEISA-N	00000010100000000101000010000010000000000000000000000000	31-01-117254
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(C1)NC(=O)OC(C)(C)C	PC-id_111729953	405.538	FLHUWXNABWNOFR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-117255
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(CC1)C(=O)OCC	PC-id_111329868	405.538	QXLJNCAFXFXJDV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117256
CCNC(=NCCc1nnc2n1CCCCC2)NC1CN(C1)C(=O)OC(C)(C)C	PC-id_109465962	405.538	KJIYXAGFWWSCCX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-117257
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)C(=O)OCC	PC-id_111164331	405.538	UPKQMNPWKJKKSQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117258
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)C(=O)OC	PC-id_112078391	405.538	BDVOXANCLTYXIL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117259
CCOC(=O)N1CCC(CC1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111330062	405.538	ZWKKDUCIGFYRKV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117260
CN=C(N1CCC(C1)NC(=O)OC(C)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111730069	405.538	FMJCNBLXEDSAIH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-117261
CN=C(NC1CN(C1)C(=O)OC(C)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109466620	405.538	CZWDVIJAVOYYPQ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-117262
NC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)C(=O)OC(C)(C)C	PC-id_111093769	405.538	XWEHGTCKCOKYCV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117263
NC(=O)c1c(NC(=O)CSc2nnc3n2CCCCC3)sc2c1CCCC2	PC-id_7876880,ZINC22_6097429,EMOLS-id_11751798,MCULE-5530461363,SCHEMBL21045486,CoCoCo_3081635	405.538	MXVHMKFLWWWYMX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-117264
O=C(CSc1nnc2n1CCCCC2)N1CCN(C(=O)c2cccs2)CC1	ZINC22_7426230,MCULE-3614598969,PC-id_8521416,CoCoCo_3892250,EMOLS-id_3683307	405.538	JGFMDBXUZWHYRM-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-117265
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1n(CCC)c(=O)[nH]n1)C)C#N	PC-id_40690112	405.538	PJLSRXALLGMVPE-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-117266
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1n(CCC)c(=O)[nH]n1)C)C#N	PC-id_8460476	405.538	PJLSRXALLGMVPE-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117267
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCCC)c(=O)[nH]n1)C#N	PC-id_32292325	405.538	SIASCJPXJKIKKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117268
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(CCC)c(=O)[nH]n1)C)C#N	PC-id_24496980	405.538	PJLSRXALLGMVPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117269
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCCOC)cnn1)C#N	PC-id_78759479	405.538	HLXYMFUQLUMFRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117270
S(=O)(=O)(NC(CC(C)C)C(=O)OC)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194137	405.551	OZGARHYBZPWPIX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-117271
CC(CC1NC(=O)CC(C1)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2)C	EMOLS-id_48332545,PC-id_75452082,MCULE-7087090624	405.554	OYLHNCPAQNQSPP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117272
CC(C[C@H]1NC(=O)C[C@H](C1)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_97262169	405.554	OYLHNCPAQNQSPP-JKSUJKDBSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117273
CC(C[C@@H]1NC(=O)C[C@H](C1)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_97262170	405.554	OYLHNCPAQNQSPP-HOTGVXAUSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117274
CC(C[C@H]1NC(=O)C[C@@H](C1)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_97262171	405.554	OYLHNCPAQNQSPP-HZPDHXFCSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117275
CC(C[C@@H]1NC(=O)C[C@@H](C1)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2)C	PC-id_97262172	405.554	OYLHNCPAQNQSPP-CVEARBPZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117276
O=C(NNC(=O)c1sc2c(c1)CCCCCC2)CCNC(=O)C1CCCCC1	PC-id_86878542	405.554	NBWFOXILDIXLOI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117277
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)C(C)(C)C	PC-id_39759917	405.554	GOCIDBGUVWDKOP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117278
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CN(CCC1)C(=O)C(C)(C)C	PC-id_47990658	405.554	KTMQVEYZVBOQEE-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117279
s1c2c(CCCCC2)c(c1NC(=O)C1CN(CCC1)C(=O)C(C)(C)C)C(=O)N	PC-id_56095028	405.554	UWZQBYNZUJLROM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117280
s1c2CCCCCc2c(c1NC(=O)CCN(CC(C)C)CCC(=O)OC)C#N	PC-id_56185747	405.554	AVTAPNWREVRUPM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117281
s1c2CCCCCc2c(c1NC(=O)CCN(CC(C)C)CC(=O)OCC)C#N	PC-id_56160013	405.554	PLJIEBLOJMXNBG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117282
s1c2c(CCCCC2)c(c1NC(=O)CN1CC2N(CCC2)CC1)C(=O)OCC	PC-id_22194085	405.554	KVZKZRUQQQSOSX-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-117283
s1c2CCCCCCc2cc1/C(=N/c1cc(c(NS(=O)(=O)CC)cc1)C)/[O-]	PC-id_52718454	405.554	BLDBEOYYCPFPBF-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-117284
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)CN1CCOCC1	PC-id_36258649	405.554	ZCFRIOMPOHBSBT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117285
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCCN(C1)C(=O)CCC	PC-id_60527601	405.554	OOSPTLYESUKLBQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117286
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@H]1CCCN(C1)C(=O)CCC	PC-id_52374928	405.554	OOSPTLYESUKLBQ-INIZCTEOSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117287
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@@H]1CCCN(C1)C(=O)CCC	PC-id_52374929	405.554	OOSPTLYESUKLBQ-MRXNPFEDSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117288
s1c2c(CCCCCC2)c(c1NC(=O)CN1CC2N(CCC2)CC1)C(=O)OC	PC-id_17276233	405.554	BWFVJBMSDDUGQF-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-117289
Cc1cc(/C=C/CN2CCc3c(CC2)nc(s3)N)cc(c1)OCc1ccccc1	SCHEMBL7285782,PC-id_19985844	405.556	DXCIIQUHJNWAQI-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117290
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccc(c1C)OCc1ccccc1	SCHEMBL7291821,PC-id_19985920	405.556	GETGNTPYPHASBI-UXBLZVDNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117291
Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccc(c(c1)OCc1ccccc1)C	PC-id_19985790,SCHEMBL7292916	405.556	FCKLQYFRFHEMTA-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117292
Nc1nc2c(s1)CCN(CC2)C/C=C/c1cc(OCc2ccccc2)ccc1C	SCHEMBL7286037,PC-id_19985883	405.556	FYHWUADRGCBMEY-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117293
s1c2CCN(CCc2nc1N)CC=Cc1cc(OCc2ccccc2)c(cc1)C	PC-id_53791877	405.556	FCKLQYFRFHEMTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117296
s1c2CCN(CCc2nc1N)CC=Cc1c(c(OCc2ccccc2)ccc1)C	PC-id_53834552	405.556	GETGNTPYPHASBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117297
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)CC)CCn12	ChEMBL-DNDi_CHEMBL46604815,EMOLS-id_20584073,PC-id_45212805,MCULE-5462521512	405.557	WBIVBVUTTXAYNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117298
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3C)C)CCn12	PC-id_45166934,EMOLS-id_20612381,ChEMBL-DNDi_CHEMBL54000033,MCULE-8456039743	405.557	KWWHCYWNVHGLRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117299
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cc(C)ccc3C)CCn12	MCULE-2307430150,EMOLS-id_232761923,ChEMBL-DNDi_CHEMBL61916021,PC-id_45167056	405.557	RGEJNFFTVGRYNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117300
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cc(C)cc(C)c3)CCn12	PC-id_45167384,MCULE-9080515549,ChEMBL-DNDi_CHEMBL86518583,EMOLS-id_232782902	405.557	UCABTTPTVJZRTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117301
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(CCCc3ccccc3)CCn12	PC-id_45238576,ChEMBL-DNDi_CHEMBL78385465,MCULE-7988744566,EMOLS-id_20691965	405.557	HCXRZJBFFWPHPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117302
Cc1cc(C)cc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	PC-id_29028795,ZINC22_20541326	405.557	UCABTTPTVJZRTP-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117303
Cc1cc(C)cc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	PC-id_29028796,ZINC22_20541329	405.557	UCABTTPTVJZRTP-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-117304
Cc1ccc(C)c(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	ZINC22_19792983	405.557	RGEJNFFTVGRYNS-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117305
Cc1ccc(C)c(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	ZINC22_19792984	405.557	RGEJNFFTVGRYNS-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-117306
Cc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c(C)c1	ZINC22_19608379	405.557	KWWHCYWNVHGLRC-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117307
Cc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c(C)c1	ZINC22_19608381	405.557	KWWHCYWNVHGLRC-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-117308
CCc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	CoCoCo_1394660,ZINC22_14995156,CoCoCo_1394659	405.557	WBIVBVUTTXAYNE-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117309
CCc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	CoCoCo_1394662,ZINC22_14995154,CoCoCo_1394661	405.557	WBIVBVUTTXAYNE-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-117310
CC(C(c1nnc2n1CCN(CC2)Cc1ccc(c(c1)C)C)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL55833739,PC-id_45166970	405.557	WMLHMVUQDKXANI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117311
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(CCCc1ccccc1)CC2	CoCoCo_1558213,ZINC22_12572821,CoCoCo_1558214	405.557	HCXRZJBFFWPHPL-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-117312
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(CCCc1ccccc1)CC2	ZINC22_12572814,CoCoCo_1558211,CoCoCo_1558212	405.557	HCXRZJBFFWPHPL-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117313
OC(CN1CCN(CC1)Cc1nnc2n1CCCCC2)COCc1cccs1	EMOLS-id_31953735,MCULE-1318850728,PC-id_47035029	405.557	ZSRIANXVBVKWHC-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-117314
O[C@H](COCc1cccs1)CN1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_52504387,ZINC22_58166719	405.557	ZSRIANXVBVKWHC-KRWDZBQOSA-N	00000000100110000101000000000010000000000000000000000000	31-01-117315
O[C@@H](COCc1cccs1)CN1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_58166718,PC-id_52504386	405.557	ZSRIANXVBVKWHC-QGZVFWFLSA-N	00000000100110000101000000000010000000000000000000000000	31-01-117316
S(=O)(=O)(N[C@@H](c1n2CCN(CCc2nn1)Cc1cc(c(cc1)C)C)C(C)C)C	PC-id_28299484	405.557	WMLHMVUQDKXANI-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117317
S(=O)(=O)(N[C@H](c1n2CCN(CCc2nn1)Cc1cc(c(cc1)C)C)C(C)C)C	PC-id_28299486	405.557	WMLHMVUQDKXANI-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-117318
N#CCCN(c1ccc(c(c1)C)N=Nc1sc2c(c1C#N)CCCCCC2)CC	PC-id_102065705	405.559	VYUJUGXDCGLIFO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117319
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1csc(n1)C(OC)C)C	PC-id_109454790	405.561	WJSFFNQIYBTKKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117320
s1c2CCCCCc2c(c1NC(=O)CSc1sc(NCC=C)nn1)C#N	PC-id_41957888	405.561	WLPXIQWIPCPDAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117321
c1(NC(=O)c2csc(CCC)c2)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4084503,MCULE-9637113353,CoCoCo_5809880,PC-id_1766605,ZINC22_2111744,TIMTEC242350,SPECS-id_AK-968/41170688	405.574	JMGFALMHRINRNF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117322
Cc1cc(C)c(S(=O)(=O)N(C)C(=O)c2cc3c(s2)CCCCCC3)c(C)c1	PC-id_2545575,CoCoCo_3920351,MCULE-1113581572,ZINC22_3426200,EMOLS-id_3386851	405.574	DJUKIWHQLBTIBT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117323
C[C@@H](c1ccc(S(=O)(=O)C)cc1)N(C)C(=O)c1cc2c(s1)CCCCCC2	CoCoCo_4699174,PC-id_25583328,ZINC22_12893911	405.574	GMAPVDHBRFQMDU-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117324
C[C@H](c1ccc(S(=O)(=O)C)cc1)N(C)C(=O)c1cc2c(s1)CCCCCC2	PC-id_25583325,ZINC22_12893908,CoCoCo_4699175	405.574	GMAPVDHBRFQMDU-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117325
CC(N(C(=O)c1sc2c(c1)CCCCCC2)C)c1ccc(cc1)S(=O)(=O)C	EMOLS-id_24120237,MCULE-2873951279,PC-id_42945808	405.574	GMAPVDHBRFQMDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117326
CC1(C2CCC(C2)(C1NC(=O)c1nn(c2c1CCCCC2)Cc1ccccc1)C)C	PC-id_90747419	405.576	NMSTYKCOGPAFNR-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-117327
CC1CCCCCCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_88014064	405.576	PCFVNPRXOMLTSS-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117328
CC1CCCCCCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL6581302,PC-id_136346256	405.576	OPFITBWWGYVLLK-KOEQRZSOSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117329
CC(C1CCCCC1)CNC(=O)c1[nH]nc2c1CCCC/C/2=Cc1ccc(cc1)C	PC-id_143431385	405.576	LZYKDBDEPJYTIO-CJLVFECKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-117330
CCC1CCCCCCCCc2cc1c(n2C)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87588798	405.576	PXVONZRYRAFOJN-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117331
CCC1CCCCCCCCc2cc1c(n2C)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136414781,SCHEMBL3878074	405.576	OCXQYPRIIRLCAP-JJIBRWJFSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117332
CCC1CCCCCCCCc2cc1c(n2C)C=C1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136414782,SCHEMBL3878076	405.576	OCXQYPRIIRLCAP-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117333
CCCC1CCCCCCCc2cc1c(CC=C1N=C(C=C1OC)c1ccc[nH]1)[nH]2	PC-id_136420639,SCHEMBL6655061	405.576	IWEILEBLIWTNLT-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117334
CCCC1CCCCCCCc2cc1c([nH]2)C(=c1c(cc(=C2C=CC=N2)[nH]1)OC)C	PC-id_88022652	405.576	NHZVFGRCMBOLHW-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117335
CCCC1CCCCCCCc2cc1c([nH]2)/C(=C/1C(=CC(=N1)c1ccc[nH]1)OC)/C	SCHEMBL6655056,PC-id_136420638	405.576	AMVBIOYSGPFHCJ-NLRVBDNBSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117336
CCCC1CCCCCCCc2cc1c([nH]2)CC=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_88022654	405.576	ZOXMUSQTALMQEC-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117337
CCCC1CCCCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87588682	405.576	KQFMDESCCYCSMO-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117338
CCCC1CCCCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3876669,PC-id_136414769	405.576	DXNNAGFSTLMKKD-KOEQRZSOSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117339
CCCCC1CCCCCCc2cc1c(/C=C
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CCCCC1CCCCCCc2cc1c(C=C1N=C(C=C1OC)c1ccc[nH]1)n2C	SCHEMBL3885777,PC-id_136385039	405.576	JARPLBQLOUCEAM-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117341
CCCCC1CCCCCCc2cc1c(n2C)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87589765	405.576	FRWIVKVPQIXHBN-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117342
CCCCC1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OCC	PC-id_87588713	405.576	LJGJNNGCQKJNBJ-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117343
CCCCC1CCCCCCc2cc1c([nH]2)/C(=C
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CCCCC1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OCC	PC-id_136414774,SCHEMBL3877217	405.576	ZHLVWHXDICHYKK-KOEQRZSOSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117345
CCCCC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OCC	PC-id_136650925	405.576	ZHLVWHXDICHYKK-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117346
CCCCC1CCCCCCc2cc1c([nH]2)/C=C
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CCCCC1CCCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87588736	405.576	HKGOQWZMUPGOEZ-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117348
CCCCC1CCCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136414778,SCHEMBL3877596	405.576	YRIMRVWUHJOXAM-KOEQRZSOSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117349
CCCCCC1CCCCCCc2c1cc([nH]2)/C=C
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CCCCCC1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87588198	405.576	NXZKXGTVLWVCAV-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117351
CCCCCC1CCCCCCc2cc1c([nH]2)/C=C
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CCCCCC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136651889	405.576	QKOCBHFJECAKQP-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117353
CCCCCC1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3882831,PC-id_136414835	405.576	QKOCBHFJECAKQP-KOEQRZSOSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117354
CCCCC[C@H]1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136651035	405.576	QKOCBHFJECAKQP-IBGZPJMESA-N	00000011110000000100100000000010000000000000000000000000	31-01-117355
CCCCC[C@@H]1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136652293	405.576	QKOCBHFJECAKQP-LJQANCHMSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117356
CCCCC[C@@H]1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3872226,PC-id_136414732	405.576	QKOCBHFJECAKQP-WZGTUUFSSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117357
CCCCC[C@H]1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	SCHEMBL3885833,PC-id_136385042	405.576	QKOCBHFJECAKQP-HLNOYYKJSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117358
CCCCCn1c2cc(c1C=c1c(cc(=C3C=CC=N3)[nH]1)OC)CCCCCCC2	PC-id_90755761	405.576	HIRJUEBSLGOAHU-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117359
CCCCCn1c2cc(c1C=C1C(=CC(=N1)c1ccc[nH]1)OC)CCCCCCC2	PC-id_136628042	405.576	UPGBEMAIFUKURY-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117360
O(c1/c(=C(/c2[nH]c3cc2C(CCCCCC3)CCCC)C)/[nH]/c(=C/2N=CC=C2)/c1)C	PC-id_10294715	405.576	QFQVKIINSKOYRC-FEWGPOSUSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117361
O(c1/c(=C/c2[nH]c3cc2C(CCCCCC3)CCCCC)/[nH]/c(=C/2N=CC=C2)/c1)C	PC-id_18176961	405.576	NXZKXGTVLWVCAV-ZSKXJOTNSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117362
O(c1/c(=C(c2[nH]c3cc2C(CCCCCCC3)CCC)/C)/[nH]c(=C2N=CC=C2)c1)C	PC-id_69854165	405.576	NHZVFGRCMBOLHW-RCVPHHKASA-N	00000011110000000100100000000010000000000000000000000000	31-01-117363
O(c1c(=Cc2[nH]c3cc2[C@@H](CCCCCC3)CCCCC)[nH]c(=C2N=CC=C2)c1)C	PC-id_68821723	405.576	NXZKXGTVLWVCAV-LJQANCHMSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117364
O(c1c(=Cc2[nH]c3cc2[C@H](CCCCCC3)CCCCC)[nH]c(=C2N=CC=C2)c1)C	PC-id_68826850	405.576	NXZKXGTVLWVCAV-IBGZPJMESA-N	00000011110000000100100000000010000000000000000000000000	31-01-117365
O(c1/c(=C/c2[nH]c3c(C(CCCCCC3)CCCCC)c2)/[nH]/c(=C/2N=CC=C2)/c1)C	PC-id_72704086	405.576	OTLSMXPYASOEET-IQHCAMDGSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117366
O(C1=C(C(=N/C/1=C/c1n(c2CCCCCCC(c1c2)C)C)c1n(c(cc1)C)C)C)C	PC-id_59896545	405.576	JSLYGJYGCOZGLL-CJLVFECKSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117367
O(C1=C(C(=NC1=Cc1n(c2CCCCCCC(c1c2)C)C)c1n(c(cc1)C)C)C)C	PC-id_72590633	405.576	JSLYGJYGCOZGLL-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117368
O(C1=CC(=NC1=Cc1[nH]c2CCCCCCC(c1c2)CCCC)c1n(ccc1)C)C	PC-id_68823300	405.576	BOQHZVHZQGDGHB-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-117369
CCCCCc1nc(c2n1CCCN(C2)C)CC(=O)N[C@@H](C(C)(C)C)C(=O)NC	PC-id_140172248	405.577	SXMQSZZAOSPCBT-HXUWFJFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117370
CCCCCc1nc(c2n1CCCN(C2)C)C(=O)N[C@](C(C)(C)C)(C(=O)NC)C	PC-id_145538841	405.577	KWSZXNXMKMHSFA-QFIPXVFZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117371
CCCCCCc1nc(c2n1CCCN(C2)C)C(=O)NC(C(C)(C)C)C(=O)NC	PC-id_57635141,SCHEMBL1175813	405.577	UHBQDOVUUVAILN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117372
CCCCCCc1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	PC-id_57736773,SCHEMBL1175811	405.577	UHBQDOVUUVAILN-LJQANCHMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117373
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCC(C)(C)C	SCHEMBL1175770,PC-id_66932331	405.577	YFLFDLZKLFULHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117374
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCC(C)(C)C	SCHEMBL1175766,PC-id_57635408	405.577	YFLFDLZKLFULHJ-GOSISDBHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117375
CCC(C(N1CCOCC1)CNC(=NC)NCc1nnc2n1CCCCC2)CC	PC-id_111936343	405.581	AXTQYKMNQNTGOH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117376
CCNC(=NCc1nnc2n1CCCCC2)NCC(N1CCOCC1)CC(C)C	PC-id_111935249	405.581	MPJAEBAGVIIGAD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117377
CCNC(=NCC1OCCN(C1)CC(C)C)NCCc1nnc2n1CCCCC2	PC-id_111369117	405.581	YECWXTNWJMRJDZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117378
CCNC(=NCC(N1CCOCC1)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111314186	405.581	NNGUOKNHISSFMH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117379
CN=C(NCC(N1CCOCC1)C(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111930616	405.581	PFIUSBZKJYEDDX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117380
COCCCN1CCC(CC1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112079579	405.581	ACHSYYHXARXJAH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117381
COCCN1CCC(CC1)NC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_112078077	405.581	QPNYEMHOOFMISO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117382
C(c1ccc2-c(cc1)ccc2C/C=[C+]/c1c2-c(ccc(C(C)(C)C)cc2)cc1)(C)(C)C	PC-id_57051170	405.594	KWHYJRAHHYONMS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-117383
s1c2CCCCCCc2nc1NC(=O)C(NS(=O)(=O)CC)CCSC	PC-id_56060783	405.599	UILGDLAEFKKFNA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117384
s1c2CCCCCc2cc1C(=O)NNC(=S)NCCSc1ccccc1	PC-id_9095412	405.6	PPFHVSLDTKIRTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117385
[Si](OCCC1CCCCn2c1c(cc2C(=O)OC)C#CCO)(C(C)(C)C)(C)C	PC-id_76022411	405.603	BTNOUJATPJFGCI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117386
[Si](OCC[C@H]1CCCCn2c1c(cc2C(=O)OC)C#CCO)(C(C)(C)C)(C)C	PC-id_53359132	405.603	BTNOUJATPJFGCI-QGZVFWFLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117387
CCNC(=NCCCc1nnc2n1CCCCC2)NC(CCCN(CC)CC)C	PC-id_110998859	405.624	BWXAUPFUQCBMHM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117388
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCN(C(C)C)C(C)C	PC-id_111691806	405.624	YHOCJFKPWFGGKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117389
C/C/1=C/C(O)CCC/C(=C/c2cc(C(CC1)(C)O[Si](C(C)(C)C)(C)C)no2)/C	PC-id_102583002	405.646	FAVNHCVNCYPVHJ-GCVWNMSYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-117390
Clc1c(NC(=O)CSc2n3CCCCCc3nn2)cc(Cl)c(Cl)c1	PC-id_24371242	405.73	NNGHLSGWKDVGTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117391
Clc1cc([N+](=O)[O-])c(OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_38930560	405.855	RPQBNSPHPNXRNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117392
Clc1c(C(=O)N2CCC(=CN(C)C)C(=O)c3sccc23)ccc([N+](=O)[O-])c1	PC-id_53920947,SCHEMBL5233480	405.855	IKKOFSGWTIWWRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117393
Clc1c(C(=O)N2CC/C(=C/N(C)C)/C(=O)c3sccc23)ccc([N+](=O)[O-])c1	PC-id_69364452,SCHEMBL5233477	405.855	IKKOFSGWTIWWRK-KHPPLWFESA-N	00000000100000110100000000000010000000000000000000000000	31-01-117394
Clc1c(OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc([N+](=O)[O-])c1	PC-id_3930524	405.855	FEHITSWBEROVAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117395
Clc1sc2c(N(CCC(=CN(C)C)C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1	PC-id_54376584,SCHEMBL5231836	405.855	UWXUITOWLOOGJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117396
Clc1sc2c(N(CC/C(=C/N(C)C)/C2=O)C(=O)c2ccc([N+](=O)[O-])cc2)c1	PC-id_70052812	405.855	UWXUITOWLOOGJG-BENRWUELSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117397
Cc1onc(c2c(F)cccc2Cl)c1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_24960107,PC-id_40120737,ZINC22_32885725,MCULE-2588057303,CoCoCo_4546092	405.874	PBSQFKVNLGPOMJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117398
Clc1ccc(NC(=O)CCCNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55944959	405.879	SJSBBEXLXLFEAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117399
Clc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1C(=O)NCCC	PC-id_56034443	405.879	LLHIXAIGILEASY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117400
Clc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(C(=O)NC(C)C)cc1	PC-id_55807314	405.879	PHIYGLXWQHBEIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117401
Clc1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc(C(=O)NC(C)C)cc1	PC-id_55895060	405.879	BJVZGUGPWJUQOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117402
Fc1cccc(Cl)c1CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1	EMOLS-id_20439131,ChEMBL-DNDi_CHEMBL17282253,CoCoCo_1185461,MCULE-9795286245,PC-id_28393224,CoCoCo_1185460,ZINC22_19839349	405.897	PZWLLCUBBGSNBD-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-117403
O=C(Cc1c(F)cccc1Cl)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_22201044,PC-id_30102916,MCULE-6029906307,CoCoCo_4469555,EMOLS-id_29985716	405.897	PYKKOQXQRZTVPE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-117404
Clc1ccc(cc1)C(=O)N1CCc2nc(sc2CC1)C(=O)N1CCOCC1	ZINC22_96147011,EMOLS-id_44303990,PC-id_97442535	405.898	VQJFDHOPTQPPDI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-117405
Clc1cc(C(=O)NCC(=O)NNC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_34035569	405.898	MLBLWXWPYKRSOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117406
Clc1c(C(=O)NCC(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_9301069	405.898	NWUHJTLXURMEPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117407
CCCCc1cc2n(c1C(=O)c1occc1Cl)CCCCC2C(=O)OC(C)C	SCHEMBL11203321,PC-id_20483850	405.915	NILKVWJNBHWMSN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-117408
Clc1c(CN(CC(=O)Nc2sc3CCCCCc3c2C#N)C)c(F)ccc1	PC-id_2699445	405.917	JRJPOALJIXYCCF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117409
CC(c1ccccc1)NC(=O)c1c2CCCCC(=Cc3ccc(cc3)Cl)c2n[nH]1	PC-id_91027083	405.92	OPTYZTBDVAYYFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117410
Clc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2C(=O)N[C@@H](c1ccccc1)C	PC-id_58882555,SCHEMBL176483	405.92	OPTYZTBDVAYYFI-ORMOWBNMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117411
Clc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2C(=O)N[C@H](c1ccccc1)C	PC-id_58882582,SCHEMBL176790	405.92	OPTYZTBDVAYYFI-DAMBIUFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117412
Clc1ccc(CN(C(=O)Cn2nc3n(CCCCC3)c2=O)CCN(C)C)cc1	PC-id_56178368	405.922	MCKKIZDHNYEACT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117413
Clc1cc(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)ccc1OC	PC-id_7566163	405.922	ZRKLSQARLOXPJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117414
Clc1cc(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)c(OC)cc1	PC-id_7566114	405.922	IAYOTIIMJIDFBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117415
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(cc1)Cl)C(=O)OC(C)C	EMOLS-id_1363049,PC-id_3136956,ZINC22_3669881,CoCoCo_228638,MCULE-5486607902,TIMTEC203629,SPECS-id_AG-205/13459156,BAS-02052660	405.938	HVGWSMDREVWNLT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117416
Clc1ccc(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cc1	PC-id_4115184	405.938	WDCCMCPEHAMYBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117417
Clc1ccc(CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_4638722	405.938	QPGABFNWUQPKJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117418
c1(NC(=O)CCC(=O)NCCc2ccc(cc2)Cl)sc2c(CCCCC2)n1	EMOLS-id_335050268,MCULE-9874085911	405.941	NUIONTFRCIPIHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117419
Clc1ccc(NC(=O)c2c3CCCCCc3sc2NC(=O)CN(C)C)cc1	PC-id_68925358,SCHEMBL4132575	405.941	ZGSOQASZIYQUBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117420
Clc1c(C(=O)NC(C(C)C)C(=O)Nc2sc3CCCCCc3n2)cccc1	PC-id_24611783	405.941	GCPIHDUMXZNYBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117421
c1(NC(=O)CC2CCN(CC2)c2ccc(nn2)Cl)sc2c(CCCCC2)n1	EMOLS-id_323459462,MCULE-7880931334	405.945	FTMUBUUILUARKK-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-117422
Clc1cc(N2CCN(CC2)C(=O)CSc2n3CCCCCc3nn2)ccc1	PC-id_8332793	405.945	LZWZOEYEYZUEGB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-117423
Clc1c(N2CCN(CC2)C(=O)CSc2n3CCCCCc3nn2)cccc1	PC-id_8332794	405.945	OWBQFYLZYAQUBZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-117424
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1cc(cn1C)Cl)C	PC-id_109713885	405.968	YYOFCHOBYZGIRT-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-117425
Clc1ccc(NCC(=O)Nc2sc3CCCCCCCCCCc3n2)cc1	PC-id_30376869	405.985	DBDGJWZBBPTDKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117426
Brc1c2-c(c(Br)c1)cccc(OC(=O)c1ccccc1)c2	PC-id_23265378	406.068	VIGAHQPZTKHRHP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-117427
CC(C)(C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682062	406.111	GDFZQORTPACPQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117428
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)F)C=C[C@@H](NS2(=N)=O)CC4CC4	PC-id_154991296	406.128	PLDMRQOYWFLZJD-OGMHVPHJSA-N	00100000100000110111000000000010000000000000000000000000	31-01-117429
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)SC(=N4)CC5=CC=CC=N5	PC-id_165064462	406.129	RSUYMPDWCIHNSW-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-117430
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC=NS3	PC-id_155203612	406.167	KGZZKDSFJWVROT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117431
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CSN=C3	PC-id_155203732	406.167	HKFNEVLVWWUMME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117432
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NSC=C3	PC-id_155203591	406.167	NENWIVHSLMGCMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117433
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)C3=CC(=NS3)C	PC-id_155203871	406.167	JNAYJLZJXNYNTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117434
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)C3=NC(=CS3)C	PC-id_155203674	406.167	UBJRFNNHIHXQSK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117435
CC1=CC2=C(S1)CCC(OC2CNC)CC3=CC4=C(S3)CCCOC4CN	PC-id_155207288	406.175	XYKNNUVQZWSTBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117436
BrC(c1sc2c(CCCCC2)c1)c1sc(Br)cc1	PC-id_63444281	406.199	LFKILQFJFBGMET-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117437
BrC(c1sc2c(CCCCC2)c1)c1sccc1Br	PC-id_80537002	406.199	NQOLQUNDABUWNX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117438
C1CCc2nnc(n2CC1)/C(=C(/c1ccc(cc1)I)O)/C#N	CoCoCo_3720212,PC-id_135576456	406.221	FXJAUFHDZBGATE-SQFISAMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117439
Ic1ccc(C(=O)/C(=C/N3CCCCCC3=NN2)/C#N)cc1	PC-id_6003627	406.221	TWUQNUPCISVEHE-DTQAZKPQSA-N	00000011000000110111000000000010000000000000000000000000	31-01-117440
Ic1ccc(C(=O)C(=C2N3CCCCCC3=NN2)C#N)cc1	PC-id_6816239	406.221	TWUQNUPCISVEHE-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-117441
Ic1ccc(C(=O)C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_7689809	406.221	GRFJNUBTFVWWKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117442
N#C/C(=C(/c1ccc(cc1)I)O)/c1nnc2n1CCCCC2	CoCoCo_3720213	406.221	FXJAUFHDZBGATE-FYWRMAATSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117443
N#CC(=C(c1ccc(cc1)I)O)c1nnc2n1CCCCC2	MCULE-4562472592,EMOLS-id_26162715	406.221	FXJAUFHDZBGATE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117444
N#C[C@H](C(=O)c1ccc(I)cc1)c1nnc2n1CCCCC2	ZINC22_35426734,PC-id_51692078	406.221	GRFJNUBTFVWWKR-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117445
N#C[C@@H](C(=O)c1ccc(I)cc1)c1nnc2n1CCCCC2	ZINC22_35426737	406.221	GRFJNUBTFVWWKR-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117446
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(C3=C(C=NO3)C)O	PC-id_155203733	406.222	YPIZRAIHJWKGIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117447
Ic1ccc(NN=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_4259677,MCULE-4354872399,EMOLS-id_44488549	406.224	VKHSVOJFWYPDRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117448
Ic1ccc(N/N=C(c2n3CCCCCc3nn2)/C#N)cc1	PC-id_6050882,CoCoCo_3692755	406.224	VKHSVOJFWYPDRF-UYRXBGFRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117449
N#C/C(=NNc1ccc(I)cc1)/c1nnc2n1CCCCC2	CoCoCo_3692754,PC-id_6381272,ZINC22_5446856	406.224	VKHSVOJFWYPDRF-CPNJWEJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117450
Clc1cc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)ccc1Cl	PC-id_19527317	406.23	PPOXZKXMBOQZIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117451
Clc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(Cl)ccc1	PC-id_19527314	406.23	UTVBQMJCJNUIFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117452
CCNc1nc(=O)c2c(nc(Br)n2Cc2ccc(OC)cc2)c(=O)[nH]1	PC-id_15955476,CHEMBL199421	406.234	PDLHPBXZDVMHLG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-117453
CCCn1c2c(C(CCCCC2)OCC(=O)NC(C)(C)COC2(CC2C)C)nn1	PC-id_163737066	406.294	LENVQQIMZIIYQY-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-117454
Brc1cc(c2nc(on2)CSc2n3CCCCCc3nn2)ccc1	PC-id_8379375	406.3	DLZPVCKEYWPBPG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117455
Brc1ccc(c2nnc(CSc3nnc4n3CCCCC4)o2)cc1	MCULE-9251712712,ZINC22_8187017,PC-id_9321225,EMOLS-id_45708090	406.3	FJCHJZCYRYKNFJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117456
Brc1ccccc1c1nnc(CSc2nnc3n2CCCCC3)o1	MCULE-5607337985,PC-id_7876991,CoCoCo_3081751,EMOLS-id_25018145,ZINC22_6097590	406.3	CDCXTTZNSQVVMJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117457
Brc1cnc2n(c1)nc(c2)C(=O)N1CCC2=C(CC1)N(C(=C)S2)C	PC-id_89830243,SCHEMBL15292414	406.3	KLZHYKSJFXCIHM-UHFFFAOYSA-N	00000011100000100111000001000010000000000000000000000000	31-01-117458
CCc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1	PC-id_71739469,BindingDB_PC-id_71739469,TT-id_D06JFS,BindingDB-id_300530,SCHEMBL15283056	406.3	OEYKQCOFIDDHKA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-117459
Cc1cc(c(cc1Cl)Cl)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625636	406.307	RWBWSZJSLXLLLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117460
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N	PC-id_3625322	406.319	QMGIEWMLFALAQG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117461
Cc1cc(Br)ccc1NCC(=O)NCCc1nnc2n1CCCCC2	MCULE-7042611301,ZINC22_242292532,PC-id_121560953,EMOLS-id_76013887	406.32	YMZQEKRAADTCMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117462
O=C(NCc1nnc2n1CCCCC2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	PC-id_45859651,GD-id_ZINC40012904,EMOLS-id_44001925,MCULE-7244754516,ZINC22_40012904	406.326	KZUWRNQWANNIGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117463
CC(=O)Nc1c(c2-c(ccc(cc2)CN(C=O)O)c1OC(=O)OC)OC(=O)OC	PC-id_88280950,SCHEMBL8334864	406.344	KYNJPMTUBYKKOB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-117464
COC(=O)Oc1c(NC(=O)C)c(c2-c1c(C)cc(cc2)C(=O)NO)OC(=O)OC	SCHEMBL8335031	406.344	KPPWYKVRMLPZAG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-117465
Clc1cc(Sc2n3CCS(=O)(=O)NCc3nc2C(C)C)cc(Cl)c1	PC-id_69949614	406.35	RVYUBFULZMWSSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117466
COc1cc(ccc1OC(=O)C(F)(F)F)C=C(c1nnc2n1CCCCC2)C#N	PC-id_4963103,MCULE-1342962470,EMOLS-id_44489475	406.358	MLLKSLCYQQMPLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117467
COc1cc(ccc1OC(=O)C(F)(F)F)/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_6235563,CoCoCo_3720474	406.358	MLLKSLCYQQMPLC-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117468
COc1cc(ccc1OC(=O)C(F)(F)F)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_75363114,CoCoCo_3720475	406.358	MLLKSLCYQQMPLC-LCYFTJDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-117469
CN1c2cc(C)nn2CCC(NC(=O)c2ncn3ccc(cc23)C(F)(F)F)C1=O	SCHEMBL18372988,BindingDB-id_1028211	406.362	OURSVIGMBVBMFE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-117470
C/C/1=Cc2[nH]c(nc2/C=C/OC(O1)(F)F)NC(=O)c1csc(n1)c1cocc1	PC-id_145689445	406.363	AEQLCRYVSIYXAJ-USXIXMCRSA-N	00000000101000000111100000000010000000000000000000000000	31-01-117471
Ic1c2-c(ccc(C(C)(C)C)cc2)c(c1)C#C[Si](C)(C)C	PC-id_85776449	406.376	UNYVCIPLNKBEMP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-117472
CCOC(=O)Oc1c2-c(ccc(cc2)CC(=O)N(C)O)c(c1N)OC(=O)OCC	PC-id_88126547	406.387	XZNISDUTJYPVRO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-117473
COC(=O)C1=C(C(=O)OC)[C@H](C(=O)OC)n2c(C(=C1C(=O)OC)N(C)C)ccc2	PC-id_97038153	406.387	UJQXOQWUEQATBF-OAHLLOKOSA-N	00000000100000000110000000000010000000000000000000000000	31-01-117474
COC(=O)C1=C(C(=O)OC)[C@@H](C(=O)OC)n2c(C(=C1C(=O)OC)N(C)C)ccc2	PC-id_97038154	406.387	UJQXOQWUEQATBF-HNNXBMFYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-117475
O(C(=O)C1n2c(C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)N(C)C)ccc2)C	PC-id_56694260	406.387	UJQXOQWUEQATBF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-117476
FC(F)(F)c1cccc(c1)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	EMOLS-id_44370288,PC-id_97519454,ZINC22_96259370	406.402	HXJAMDOVSTXIGJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-117477
FC(F)(F)c1ccc(cc1)C(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	EMOLS-id_44370290,ZINC22_96259371,PC-id_97519455	406.402	DDXRFAVMPYGBHH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-117478
c1(C(F)(F)F)nc2c(cccc2)n1C(C)C(=O)NCc1nnc2CCCCCn12	SYN-22875375,PC-id_46976020,MCULE-3554102380,EMOLS-id_30447263	406.405	FRLCVDAZBMNJND-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-117479
C[C@H](C(=O)NCc1nnc2n1CCCCC2)n1c(C(F)(F)F)nc2ccccc12	CoCoCo_504234,ZINC22_19718427,PC-id_92628077	406.405	FRLCVDAZBMNJND-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-117480
C[C@@H](C(=O)NCc1nnc2n1CCCCC2)n1c(C(F)(F)F)nc2ccccc12	ZINC22_19718426,PC-id_92628076,CoCoCo_504233	406.405	FRLCVDAZBMNJND-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-117481
s1c(c2OCCOCCOCCOCCOCCOc2c1C(=O)O)C(=O)O	PC-id_14340379	406.405	WADKIQBQANCCMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117482
O=C(/C=C(/c1cc2c(o1)C(=O)C(=C)/C=CC=C/CC2=O)O)OCCS(=O)(=O)C	SCHEMBL17345501,PC-id_118584375	406.406	WPTNNEUXJXKAHY-FBDPSSHXSA-N	00000000100000000110000000000010000000000000000000000000	31-01-117483
O=C(Nc1nc2c(s1)CCCCC2)c1cnn(c2ccccc2)c1C(F)(F)F	ZINC22_25002531,CoCoCo_4546256,EMOLS-id_44038064,MCULE-3506015751,PC-id_24603998	406.425	YSZZNTCVOUVPBA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117484
CC[C@H](OC)C(=O)N1CCc2nc(C(=O)NCc3ccc(F)c(F)c3)cn2CC1	ZINC22_1875246735	406.426	LRBHMVHSJMXXSA-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117485
CC[C@@H](OC)C(=O)N1CCc2nc(C(=O)NCc3ccc(F)c(F)c3)cn2CC1	ZINC22_1875246737	406.426	LRBHMVHSJMXXSA-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117486
CCC(OC)C(=O)N1CCc2nc(cn2CC1)C(=O)NCc1ccc(F)c(F)c1	EMOLS-id_331120682	406.426	LRBHMVHSJMXXSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117487
FC(F)Oc1c(OC)cc(/C=C/C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55553441	406.426	OPGHDTDKGRCVJF-VQHVLOKHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117488
FC(F)Oc1c(OC)cc(C=CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_76245424	406.426	OPGHDTDKGRCVJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117489
O=CC1C(O)C(=O)[C@H](O[C@H]1c1cc(ccc1O)Cc1cc2-c(c1)ccccc2)CO	PC-id_143166144	406.428	VUKHDDWJIORIRV-YIDVEJIYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-117490
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CC[C@@H](NS2(=O)=O)[C@@H](O)C	SCHEMBL18352796	406.431	KEMGFBHSIVANCL-ZUZCIYMTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117492
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CC[C@@H](NS2(=O)=O)C(O)C	PC-id_139471302,SCHEMBL21337301	406.431	KEMGFBHSIVANCL-GENIYJEYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117493
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)[C@@H](O)C	PC-id_140762642	406.431	KEMGFBHSIVANCL-MYHCZTBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117494
c1(c(C)cc(=O)oc1C)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	MCULE-6061955758,PC-id_50962790,ZINC22_65403388,EMOLS-id_32395942	406.434	ATVIQBXOEAJMSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117495
CN1CCN(CC1)c1ccc(c(c1)CC(=O)c1c(=O)[nH]c2-c1ccccc2)[N+](=O)[O-]	SCHEMBL3798039,PC-id_87576360	406.434	GPZYHNOIVZNWCC-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-117496
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2ccc(O)cc2)CCC3)cc1	EMOLS-id_313765063,ZINC22_1565555218	406.434	BDDJPKKUMTWWLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117497
O=c1n2CCCCCc2nn1CC(=O)Oc1cc(NC(=O)c2ccccc2)ccc1	PC-id_78890878	406.434	RSDBYJDXFWSABB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117498
O=C1O[C@H]2[C@H](N1)CCN(C2)C(=O)c1nc2n(n1)CCN(CC2)C(=O)OC(C)(C)C	PC-id_118404756,SCHEMBL17125326	406.436	GSZFNXHTROPCPL-VXGBXAGGSA-N	00000010100010000101000000000110000000000000000000000000	31-01-117499
OC(=O)[C@H](CNC(=O)c1nn2c(c1)C(=O)N(CCC2)CCN1CCNCC1=O)C	PC-id_141814989	406.436	PUCFXFVVTRFNMS-LBPRGKRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117500
c1ccc2-c(c(cc2)C(=C(C#N)C#N)C(=C(C#N)C#N)c2c3-c(ccccc3)cc2)cc1	PC-id_90945423	406.438	ABCOKRLOVQFOCP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-117501
n12CCN(CCc1nnc2CNC(=O)c1ccncc1)C(=O)COc1ccccc1	CoCoCo_1474594,MCULE-1924472314,ZINC22_14977293,PC-id_26333280,EMOLS-id_20637335	406.438	ZIBBZPJUQXZDLB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117502
O1c2cc(CN3CCn4c(nnc4CNC(=O)c4ncccc4)CC3)ccc2OC1	PC-id_42360161	406.438	UOIFNPXNBMPDMC-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-117503
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(ccc1)C(=O)Nc1ccncc1	PC-id_56353887	406.438	SDADBHHQXUJGCJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117504
O=C(NCc1cc[nH]n1)c1cn2CCN(CCc2n1)C(=O)c1ccc2OCCc2c1	EMOLS-id_331144752,ZINC22_1875251156	406.438	OCSZDTZBQGYYBG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-117505
O=c1n2CCCCCc2nn1CC(=O)Nc1cn(nc1)Cc1nc2n(c1)cccc2	PC-id_56326163	406.441	ZWPBWUPSDCZGFM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-117506
Cn1c2c(CNCCC2)c(n1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20695660,PC-id_86267720	406.445	QNFRJJDUNNJVBJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-117507
CN1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL17505229,PC-id_86270152	406.445	XXKCZIIAHTUBCA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-117508
FC(F)(F)c1cc(N2CCN(CC2)C(=O)Cn2nc3c(CCCCC3)c2)ccc1	CoCoCo_2192245,PC-id_20892420	406.445	FCXUIHWZWAXKRK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-117509
O=C(NCc1nnc2n1CCCCC2)C1(c2cccc(C(F)(F)F)c2)CCCC1	PC-id_138996379,ZINC22_41820518,MCULE-1799926983,EMOLS-id_320297206	406.445	AGWHLUGQWWQRKX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-117510
c12C(=O)N(CCCn1nc(C(=O)Nc1ccccc1CC)c2)Cc1cccc(F)c1	MCULE-1941464875,PC-id_53029178,EMOLS-id_32632930	406.453	VTQCYAIXTMSGHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117511
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1C)C)c2)Cc1cccc(F)c1	MCULE-2906512895,PC-id_53034527,EMOLS-id_32632954	406.453	RGRYAKCYVKOAJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117512
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1)CC)c2)Cc1cccc(F)c1	MCULE-5295644554,EMOLS-id_32632932,PC-id_53034518	406.453	HVVJSYQDHDRARX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117513
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1C)F)c2)Cc1cccc(C)c1	PC-id_53034580,MCULE-6252106348,EMOLS-id_32633180	406.453	FTYLMDIKZAEWGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117514
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(c(C)c1)C)c2)Cc1ccc(cc1)F	MCULE-1151568625,PC-id_53034497,EMOLS-id_32632834	406.453	BCRPMOUKCPCDKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117515
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(c(C)c1)C)c2)Cc1cccc(F)c1	PC-id_53034530,EMOLS-id_32632966,MCULE-7904826435	406.453	QPMJLPYFMRYBJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117516
c12C(=O)N(CCCn1nc(C(=O)Nc1cc(C)cc(C)c1)c2)Cc1ccc(cc1)F	MCULE-2783068584,EMOLS-id_32632836,PC-id_53034498	406.453	IRLXJUWDOMONRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117517
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1C)c2)Cc1ccc(cc1)F	CoCoCo_2544604,EMOLS-id_16324752,PC-id_20964770,MCULE-2309965468	406.453	QDBZKDOSUCXZGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117518
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)C)c2)Cc1ccc(cc1)F	PC-id_46261007,EMOLS-id_24385859,MCULE-6274637267	406.453	CCQSXJMOKMALLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117519
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)C)c2)Cc1cccc(F)c1	EMOLS-id_32632942,PC-id_53034523,MCULE-8814617249	406.453	SRNMKQKMGKYRHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117520
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1C)c2)Cc1cccc(F)c1	EMOLS-id_32633058,MCULE-3861067521,PC-id_53034548	406.453	BOTFGGUVZBKCHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117521
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1F)c2)Cc1ccc(cc1)C	CoCoCo_2544552,EMOLS-id_24406132,MCULE-7310407299,PC-id_46347983	406.453	MAZVSEAVOPPOML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117522
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)F)c2)Cc1ccc(cc1)C	MCULE-4808047569,EMOLS-id_24406122,PC-id_46347980,CoCoCo_2544542	406.453	QHXLGDLOMZOCAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117523
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)F)c2)Cc1cccc(C)c1	MCULE-5878414281,PC-id_53034574,EMOLS-id_32633156	406.453	XPCMYCVTOGVVIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117524
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1F)c2)Cc1cccc(C)c1	PC-id_53034588,MCULE-9218279836,EMOLS-id_32633210	406.453	ZYMILVSYMSWTOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117525
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(C)c1)c2)Cc1ccc(cc1)F	MCULE-6530736275,EMOLS-id_16324714,PC-id_20964751,CoCoCo_2544582	406.453	DGRPNVCKZWRJES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117526
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(C)c1)c2)Cc1cccc(F)c1	PC-id_53034532,MCULE-3439191296,EMOLS-id_32632970	406.453	QCVIYCKIYWBRNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117527
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(F)c1)c2)Cc1ccc(cc1)C	PC-id_46347986,EMOLS-id_24406140,MCULE-8477602013,CoCoCo_2544563	406.453	BDFLUTRYEPMYGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117528
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(F)c1)c2)Cc1cccc(C)c1	EMOLS-id_32633254,MCULE-7528470172,PC-id_53034592	406.453	XKMMGILACGWVLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117529
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1)c2)Cc1ccc(cc1)F	MCULE-7909488369,CoCoCo_2544583,EMOLS-id_16324716,PC-id_20964752	406.453	WAHHILHJQPIFIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117530
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1)c2)Cc1cccc(F)c1	PC-id_53034533,MCULE-1547156895,EMOLS-id_32632972	406.453	CBCOVWKUSMWVNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117531
CCc1ccc(cc1)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F	CoCoCo_2544575,PC-id_20964745	406.453	DQVZJKWOPZEEFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117532
COC(=O)c1c(NC(=O)COC(=O)c2c(C)noc2C)sc2c1CCCCC2	PC-id_4446225,ZINC22_5195813,MCULE-3069674954,EMOLS-id_3650162,CoCoCo_3151179	406.453	DLAFFKIJWVOQGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117533
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)Nc1ccc(cc1C)C	PC-id_20964750,CoCoCo_2544581	406.453	SLPQUUQHTAFGLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117534
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)Nc1cc(C)ccc1C	PC-id_20964749,CoCoCo_2544580	406.453	GTNFKNXQPQRLNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117535
Fc1cccc(CC(=O)N2CCc3ccc(C(=O)NCc4cccnc4)n3CC2)c1	EMOLS-id_313771470,ZINC22_585110936	406.453	ASIPSJUNUIZXAX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117536
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)Nc2c(CC)cccc2)cc1	PC-id_50797953	406.453	BDHRYOVXNWNCSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117537
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)Nc2cc(CC)ccc2)cc1	PC-id_53034499	406.453	MVNMLNFNBUWZLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117538
Fc1ccc(C(=O)c2c(C(=O)NCCc3n4CCCCCc4nn3)cccc2)cc1	PC-id_55554749	406.453	OKEHOQKFKSPKSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117539
c1(NC(=O)CCCn2ncc(N(=O)=O)c2)sc2c(CCCCC2)c1C(=O)OC	TIMTEC58842,EMOLS-id_6803032,ZINC22_4623263,PC-id_4916215,MCULE-7632017622	406.456	AQAQLMVHWVAOLW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117540
c1(NC(=O)C(C)n2ncc(N(=O)=O)c2)sc2c(CCCCC2)c1C(=O)OCC	SPECS-id_AK-968/41017002,TIMTEC191720,EMOLS-id_4085248,PC-id_4077534,MCULE-5295494614	406.456	HHULJJQVWFJLMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117541
c1(N(=O)=O)c(C)nn(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c1C	CoCoCo_2813197,MCULE-4733521896,TIMTEC203508,ZINC22_995848,SPECS-id_AK-968/12096022,EMOLS-id_3433057,PC-id_1220703	406.456	HVDDCHZNOBBDCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117542
CCOC(=O)c1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCCCC2	PC-id_994380,CoCoCo_6576372,ZINC22_647849	406.456	HHULJJQVWFJLMA-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-117543
CCOC(=O)c1c(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCCCC2	ZINC22_2727132,PC-id_6547372,CoCoCo_6576373	406.456	HHULJJQVWFJLMA-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117544
CCOC(=O)c1c(NC(=O)Cn2nc(cc2C)[N+](=O)[O-])sc2c1CCCCC2	PC-id_1220655,CoCoCo_6919295	406.456	INVKODDDTNGOPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117545
o1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccoc3)CC2)cc2c1cccc2	PC-id_42341194	406.458	BVUPKMFWIZMYSM-UHFFFAOYSA-O	00000000101000100101000001000010000000000000000000000000	31-01-117546
c1(cn2c(scc2)n1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	ZINC22_65462424,MCULE-3101630714,PC-id_50975402,EMOLS-id_32419694	406.461	IEMSJPYVKUGAJI-UHFFFAOYSA-N	00000000100000110101000100000010000000000000000000000000	31-01-117547
CO[C@H]1c2oc(c(c2)C(=O)OC)C[C@@H](CC[C@H](C/C(=C/[C@]1(C)O)/C=O)O)C(=C)C	PC-id_102169061	406.469	DXFAFSUITINKIS-OPOUOWIESA-N	00000000100000000110000000000010000000000000000000000000	31-01-117548
CCOC(=O)c1c(Nc2ccc(cc2F)CO)sc2c1CC(C)(C)CNC2=O	PC-id_68905867,SCHEMBL4084302	406.471	YUTFAHHKVGXDGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117549
CCNC(=NCc1ccccc1OC(F)F)NCCc1nnc2n1CCCCC2	PC-id_111864842	406.473	GJDHJBHCNORWJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117550
CCNC(=NCc1cc(C)ccc1OC(F)F)NCc1nnc2n1CCCCC2	PC-id_109659949	406.473	XBUAYIHMAJUVEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117551
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)OC(F)F)C	PC-id_111288255	406.473	IMYFKOPQRDTYCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117552
CN=C(NCc1ccccc1OC(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111865268	406.473	STIFBJHIBDNTAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117553
CN=C(NCc1cc(C)ccc1OC(F)F)NCCc1nnc2n1CCCCC2	PC-id_109659965	406.473	QPSIHDXZOWFNGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117554
CN=C(NCCOc1ccc(cc1F)F)NCCCc1nnc2n1CCCCC2	PC-id_112084267	406.473	DUQITDAATYDHSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117555
O=C(c1ccc(s1)C(=O)C)CCC(=O)c1sc(c2c1OCCCO2)C(=O)C	SCHEMBL19285972	406.473	MSUOZGMDCNGBCI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-117556
s1c(NC(=O)C2C3OC(C2C(=O)[O-])CC3)c(c2c1CCCCCC2)C(=O)OC	PC-id_73136191	406.473	GWXPNBDKQUNSRF-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-117557
s1c(NC(=O)[C@@H]2[C@@H]3O[C@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCC2)C(=O)OC	PC-id_11895563	406.473	GWXPNBDKQUNSRF-KOZAUXTDSA-M	00000010100010000100000000000110000000000000000000000000	31-01-117558
s1c(NC(=O)[C@H]2[C@@H]3O[C@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCC2)C(=O)OC	PC-id_11895565	406.473	GWXPNBDKQUNSRF-KNPMLCFXSA-M	00000010100010000100000000000110000000000000000000000000	31-01-117559
s1c(NC(=O)[C@@H]2[C@H]3O[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCC2)C(=O)OC	PC-id_20024435	406.473	GWXPNBDKQUNSRF-OJDYBEQGSA-M	00000010100010000100000000000110000000000000000000000000	31-01-117560
s1c(NC(=O)[C@H]2[C@H]3O[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCC2)C(=O)OC	PC-id_20024437	406.473	GWXPNBDKQUNSRF-VZAMPYOESA-M	00000010100010000100000000000110000000000000000000000000	31-01-117561
Cc1ccc(cc1F)S(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	EMOLS-id_44370332,PC-id_97519476,ZINC22_96259392	406.474	SRLTUMXYAHRVDL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-117562
O(C(=O)N1CCC(CC1)CCN1CCCn2nc(cc2C1=O)C(=O)O)C(C)(C)C	PC-id_10692722	406.476	KSOMLVXYQZAZGP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117563
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1sc([N+](=O)[O-])cc1)C(=O)OC	PC-id_4343870	406.476	QHDVZSDTILPUDY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117564
s1c2CCCCCCc2cc1C(=O)OCC(=O)C1C(=[N+](C(=O)N(C1=O)C)C)N	PC-id_73266979	406.476	RORYVYJDTNGJGP-UHFFFAOYSA-O	00000000100011000101000000000010000000000000000000000000	31-01-117565
c12C(=O)N(CCCn1nc(C(=O)NC(C)Cc1ccco1)c2)Cc1cccc(C)c1	PC-id_53029197,EMOLS-id_32633192,MCULE-7019242745	406.478	HUMDXJZBNZDGOZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117566
C1CN(CCn2c1ncc2C(=O)NCCOc1ccccc1)Cc1ccccc1O	PC-id_134809521	406.478	ULLLFWFHCMLKEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117567
Cc1c(cc(cc1)[N+]1(CC[N+](CC1)(C)[O-])[O-])N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478334	406.478	QQLHADBCNAVIFD-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-117568
Cc1ccc(cc1/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)[N+]1([O-])CC[N+](CC1)([O-])C	SCHEMBL13077212	406.478	QQLHADBCNAVIFD-JJIBRWJFSA-N	00000010100010110111100000000010000000000000000000000000	31-01-117569
C/C=CC=C/1Nc2c(CN(C1=C)C(=O)c1ccc(c(c1)C)CCC(=O)O)cnn2C	PC-id_143188980	406.478	BUNMLCFVQAGWIB-GNTSWZRDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117570
C[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)Cc1ccco1	PC-id_93059140	406.478	HUMDXJZBNZDGOZ-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117571
C[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)Cc1ccco1	PC-id_93059141	406.478	HUMDXJZBNZDGOZ-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-117572
CN(Cc1nnc2n1CCCCC2)C(=O)COc1ccc(Oc2ccccc2)cc1	EMOLS-id_18834959,PC-id_25502969,ZINC22_12776986,CoCoCo_4594994,MCULE-1746864531	406.478	KJIAVPAJUINPJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117573
COc1ccc(c2ccc(OC)cc2C(=O)NCc2nnc3n2CCCCC3)cc1	MCULE-5867042192,PC-id_46978071,EMOLS-id_30451183,SYN-22970119,ZINC22_36751919	406.478	CAINXDUMPJDDIT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117574
COc1cc(c(cc1)OC)CN1CCc2ncc(n2CC1)C(=O)Nc1ccccc1	PC-id_134809534	406.478	ZSUFGCDPEFFPPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117575
COc1ccc(CCC(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)cc1	MCULE-5527883731,EMOLS-id_239612451	406.478	OTHOBHWXPWQCFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117576
COc1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc2c1OCO2	MCULE-6639122832,ZINC22_23380288,PC-id_31054423,EMOLS-id_232754449	406.478	INLFZUGZVICOQZ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-117577
O=c1n2CCCCCc2nn1CC(=O)Nc1c(OCc2ccccc2)cc(cc1)C	PC-id_55889582	406.478	CLOZYQMFVLQFIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117578
O=c1n2CCCCCc2nn1CC(=O)Nc1c(OCCc2ccccc2)cccc1	PC-id_55674818	406.478	WWCYCZSRGISMAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117579
O=c1n2CCCCCc2nn1CC(=O)N(Cc1ccccc1)c1ccc(OC)cc1	PC-id_55583527	406.478	ZFJDRZLJSBWYNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117580
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(cc1)COc1ccccc1	PC-id_55689079	406.478	KEACXYNABIIYFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117581
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(ccc1)COc1ccccc1	PC-id_55904892	406.478	OBLCOLFEFLDCID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117582
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(OCc2ccccc2)cc1	PC-id_55582955	406.478	STSKIEULCFOXTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117583
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(OCc2ccccc2)ccc1	PC-id_55847303	406.478	XAVMRLQXSFYKOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117584
O=c1n2CCCCCc2nn1CC(=O)NCc1c(OCc2ccccc2)cccc1	PC-id_55806216	406.478	HSPLZABPCFOVQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117585
O=c1n2CCCCCc2nn1CC(=O)NCCOc1c(c2ccccc2)cccc1	PC-id_56129172	406.478	DWPYCPKJDJACRX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117586
O(C1N(c2ncn(c2C(=O)NC1)Cc1ccc(OC)cc1)Cc1ccccc1)CC	PC-id_71770156	406.478	OPODWVAYFFCBRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117587
O(CC(=O)NCc1n2CCCCCc2nn1)c1ccc(Oc2ccc(cc2)C)cc1	PC-id_24633626	406.478	FDPKNVLGRZZEPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117588
O(CC(=O)NCc1n2CCCCCc2nn1)c1c(OCc2ccccc2)cccc1	PC-id_60273214	406.478	JTZOMZMRJPUJBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117589
s1c2c(CCCCC2)c(c1NC(=S)Nc1ncc([N+](=O)[O-])cc1)C(=O)OC	PC-id_19686454	406.479	ZBEZPRSXGALZDM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-117590
C1CCc2nnc(n2CC1)/C(=C(/CN1CCN(CC1)C(=O)c1ccccc1)O)/C#N	PC-id_135789169	406.481	AFUGQHYGZQANDY-HNENSFHCSA-N	00000000100010110101000000000010000000000000000000000000	31-01-117591
C1CCC(CC1)(CNc1nc(c(c(=O)[nH]1)C(=O)N)Nc1cc2-c(ccccc2)c1)N	PC-id_136488671,SCHEMBL10128922	406.481	ZQMJXSBVXDYPQO-UHFFFAOYSA-N	00000010100010100111000000000010000000000000000000000000	31-01-117592
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccccc3OC)CCn12	PC-id_45165711,EMOLS-id_232705531,MCULE-3102075238	406.481	GGCIHQRNGFTPLN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117593
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(CC(=Cc3ccco3)C)CCn12	MCULE-2684572643,PC-id_72083818	406.481	JWZRJFNAAONEHC-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-117594
c1(cc(n[nH]1)CC(C)C)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	EMOLS-id_32426578,MCULE-5242764542,PC-id_50979058,ZINC22_67910043	406.481	ZYNDIVBAGBINBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117595
C1CN(CCn2c1ncc2C(=O)NCCOc1ccccc1)Cc1c(nccc1)N	PC-id_134805148	406.481	HCIOIZKGTHXBCI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117596
c1(C(=O)NCc2c(C)n[nH]c2C)cn2c(CCN(C(=O)Cc3ccccc3)CC2)n1	MCULE-5458012383,EMOLS-id_331101487,ZINC22_1875246971	406.481	VFZQLMNCNHYVEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117597
C/C(=Cc1ccco1)/CN1CCc2nnc([C@H](C)NC(=O)c3cccnc3)n2CC1	ZINC22_64002307	406.481	JWZRJFNAAONEHC-MAUBAPBLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-117598
C/C(=Cc1ccco1)/CN1CCc2nnc([C@@H](C)NC(=O)c3cccnc3)n2CC1	ZINC22_64002308	406.481	JWZRJFNAAONEHC-HJUDDPQBSA-N	00000000101000101101000000000010000000000000000000000000	31-01-117599
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccccn1)CC2	CoCoCo_1194811,CoCoCo_1194812,ZINC22_11791488,PC-id_42172282	406.481	NAVBVHKHBZMKAJ-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117600
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccccn1)CC2	ZINC22_11791489,CoCoCo_1194814,CoCoCo_1194813,PC-id_42172284	406.481	NAVBVHKHBZMKAJ-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117601
CC(NC(=O)c1cccnc1)c1nnc2CCN(C/C(=C/c3ccco3)/C)CCn12	EMOLS-id_44852661,PC-id_45166638	406.481	JWZRJFNAAONEHC-DTQAZKPQSA-N	00000000101000101101000000000010000000000000000000000000	31-01-117602
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccccn3)CCn12	PC-id_45181058,MCULE-4334123458,EMOLS-id_20446097	406.481	NAVBVHKHBZMKAJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117603
CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1	ZINC22_14954167,CoCoCo_1432305,CoCoCo_1432306,EMOLS-id_20609381,MCULE-4863500194,PC-id_26318110	406.481	XUHAJHJGPQJMAI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117604
CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	MCULE-3551904371,CoCoCo_1274082,PC-id_29088260,EMOLS-id_20501833,CoCoCo_1274081,ZINC22_20601030,ChEMBL-DNDi_CHEMBL28194633	406.481	QTANSFJWUXGIAU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117605
CN(Cc1cccnc1)C(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	EMOLS-id_207877260,MCULE-7643482748	406.481	BXPAYOVARRIQFE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-117606
COc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)c3cccnc3)n2CC1	ZINC22_11972922	406.481	GGCIHQRNGFTPLN-MRXNPFEDSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117607
COc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)c3cccnc3)n2CC1	ZINC22_11972929	406.481	GGCIHQRNGFTPLN-INIZCTEOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117608
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cccnc3)CCn12	PC-id_26330418,CoCoCo_1467652,CoCoCo_1467653,ZINC22_14973943,MCULE-4258685593,EMOLS-id_20632831	406.481	DHFAMXNXQBGTNJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117609
COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1C	PC-id_29150668,MCULE-4133485961,ZINC22_20777101,CoCoCo_1287894,EMOLS-id_20511533,CoCoCo_1287895,ChEMBL-DNDi_CHEMBL30164763	406.481	NQLGDLHOWOGHEN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117610
n12CCN(CCc1nnc2CCNC(=O)COc1ccccc1)Cc1ccccn1	CoCoCo_1274120,ChEMBL-DNDi_CHEMBL28198855,PC-id_42467302,ZINC22_12211577,EMOLS-id_20501859,CoCoCo_1274119,MCULE-8313760673	406.481	IDJMOAOZXNYRKJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117611
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)CC=Cc1ccco1	MCULE-3669869391,PC-id_74800200	406.481	DTOCIOORDZDOHV-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-117612
O=C1N(CCCn2nc(cc12)C(=O)NCc1c(n(nc1C)C)C)Cc1ccccc1	PC-id_46347970,CoCoCo_2544514	406.481	XJNSINOBJJRILX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117613
O=C1N=C(NCC2(N)CCCCC2)N=C(Nc2cc3-c(c2)ccccc3)C1C(=O)N	PC-id_77399447	406.481	PCVFZYGDIBENNX-UHFFFAOYSA-N	00000010100011000111000000000010000000000000000000000000	31-01-117614
O=C(CCc1cccnc1)NCc1nnc2CCN(C/C=C/c3ccco3)CCn12	CoCoCo_1266536,CoCoCo_1266538,ZINC22_64058192,PC-id_42371454,EMOLS-id_44852091	406.481	DTOCIOORDZDOHV-GORDUTHDSA-N	00000000101000101101000000000010000000000000000000000000	31-01-117615
O=C(CCc1cccnc1)NCc1nnc2n1CCN(CC2)C/C=Cc1ccco1	CoCoCo_1266535,CoCoCo_1266537	406.481	DTOCIOORDZDOHV-DJWKRKHSSA-N	00000000101000101101000000000010000000000000000000000000	31-01-117616
O=C(CN1CCN(CC1)C(=O)c1ccccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78733399	406.481	LCVCZGRQFLCTKM-UHFFFAOYSA-N	00000011000010110111000000000010000000000000000000000000	31-01-117617
O=C(CN1CCN(CC1)C(=O)c1ccccc1)/C(=C
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N#Cc1ccc(CC(C#N)(Cc2ccc(C#N)cc2)c2nnc3n2CCCCC3)cc1	EMOLS-id_3158030,CoCoCo_3702008,MCULE-2056152302,PC-id_2398396,ZINC22_3282831	406.482	FWGDLEZYJLWNCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117619
O=c1n(CC2CC2)nc2CCN(CCn12)S(=O)(=O)c1cccc2nsnc12	MCULE-7114844897,EMOLS-id_239628893	406.483	CYOBRWGQOATWRQ-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-117620
c12nnnn1CCCCC2C(=O)N1CCn2c(CC1)nc(CCc1ccccc1)n2	EMOLS-id_337781391,MCULE-2772552260	406.484	IHAGJVLLHYJQNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117621
O=C([C@H]1CCCCn2nnnc12)N1CCc2nc(CCc3ccccc3)nn2CC1	ZINC22_2356166669	406.484	IHAGJVLLHYJQNO-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117622
O=C([C@@H]1CCCCn2nnnc12)N1CCc2nc(CCc3ccccc3)nn2CC1	ZINC22_2356166670	406.484	IHAGJVLLHYJQNO-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117623
O=C(NCCc1n2CCCCCc2nn1)CCc1c(n2ncc(c2nc1C)C#N)C	PC-id_55624481	406.484	YHZWQVUSXOWMFX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-117624
O=C(N1CSCC1C(=O)NCC(F)(F)F)c1sc2c(c1)CCCCCC2	MCULE-6885319294,EMOLS-id_44528182,PC-id_71896850	406.486	GZIJWWBRCIQLQK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-117625
O=C(NCC(F)(F)F)[C@H]1CSCN1C(=O)c1cc2c(s1)CCCCCC2	PC-id_97010558,ZINC22_84338881	406.486	GZIJWWBRCIQLQK-GFCCVEGCSA-N	00000010100000000101000000000010000000000000000000000000	31-01-117626
O=C(NCC(F)(F)F)[C@@H]1CSCN1C(=O)c1cc2c(s1)CCCCCC2	PC-id_97010559,ZINC22_84338882	406.486	GZIJWWBRCIQLQK-LBPRGKRZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-117627
s1c2CCCCCCc2cc1C(=O)N(CC)CC(=O)Nc1c(F)cccc1F	PC-id_38368562	406.489	MNIKYAXUPSAAEQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117628
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C#N	ChEMBL-DNDi_CHEMBLF2536-1235,EMOLS-id_5565352,PC-id_7254354,ZINC22_4496280,MCULE-4324341069,CoCoCo_5138214	406.494	PZJSSDZJJZRDGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117629
O=c1oc2-c(c1Sc1c(=O)oc3-c1cc(ccc3)C(C)C)cc(ccc2)C(C)C	PC-id_101436488	406.494	XCBAGIPJJCMARD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-117630
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)c1ccc(F)cc1)C(=O)OC	PC-id_23934088	406.494	CGGYNCDGVNIUAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117631
Cc1c(cc(cc1)N1CCN(CC1)CCF)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478274	406.496	FBHNQFYRNSBHPL-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-117632
Cc1cc(c(cc1N=C(C)c1c2-c(ccccc2)[nH]c1=O)N1CCCN(CC1)C)F	PC-id_136478242	406.496	AEKSXOQDWUAKHM-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-117633
CCC(=Nc1cc(N2CCN(CC2)C)c(cc1C)F)c1c(=O)[nH]c2-c1ccccc2	PC-id_144080612	406.496	DFWUAPVOAPDQAM-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-117634
CN1CCCN(CC1)c1cc(/N=C(/c2c(=O)[nH]c3-c2ccccc3)C)c(cc1F)C	SCHEMBL13076548	406.496	AEKSXOQDWUAKHM-YZSQISJMSA-N	00000010100000110111100000000010000000000000000000000000	31-01-117635
FCCN1CCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076652	406.496	FBHNQFYRNSBHPL-NLRVBDNBSA-N	00000010100010110111100000000010000000000000000000000000	31-01-117636
c1(NC(=O)c2ccc(cc2)Oc2ccccc2)sc2c(CCCCC2)c1C(=O)N	CoCoCo_5014635,MCULE-9497499641,PC-id_5159661,EMOLS-id_4948389,ZINC22_4176866	406.497	QUBONCXQNCWXAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117637
c1(NC(=O)c2ccccc2Oc2ccccc2)sc2c(CCCCC2)c1C(=O)N	PC-id_4649250,MCULE-6161978000,EMOLS-id_4948391,CoCoCo_5014636,ZINC22_4176867	406.497	CEEWFOBTAAMHFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117638
NC(=O)c1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c1CCCCC2	PC-id_25701658,CoCoCo_3250494,EMOLS-id_43822205,MCULE-5159744245,ZINC22_13072780	406.497	HCNWSZQFJTYGDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117639
NC(=O)c1c(NC(=O)/C=C/c2ccc(c3ccccc3)o2)sc2c1CCCCC2	ZINC22_408573027	406.497	LEJBBNCDOVXDQO-WYMLVPIESA-N	00000000101000110100100000000010000000000000000000000000	31-01-117640
Oc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCCc2c1ccs2	PC-id_139750454	406.497	WQBXKOAYBBRBTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117641
O=C(c1c(sc2c1CCCCC2)NC(=O)c1ccccc1O)Nc1ccccc1	PC-id_145966267	406.497	KLXSMLFGFHDHIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117642
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(OC)cccc2)cc1	PC-id_57265360	406.497	LEBVZBSXJDXMGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117643
s1c2c(N(C(=O)[C@@H](N(Cc3ccccc3)C2=O)C)Cc2ccc(OC)cc2)cc1	PC-id_44204173	406.497	PBMUGYKVMKGVJM-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117645
s1c2c(N(C(=O)C(N(Cc3ccccc3)C2=O)C)Cc2ccc(OC)cc2)cc1	PC-id_74950698	406.497	PBMUGYKVMKGVJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117646
COc1cccc(c1)S(=O)(=O)N(C)C1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_96962413,MCULE-4831637451	406.499	DYRNGIKNHAVHGU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-117647
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCN1C(=O)C(NC1=O)(C)C	PC-id_24554082	406.499	FUKFTXOCVWNHJX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-117648
s1c2CCCCCc2cc1C(=O)NNC(=O)CN1C(=O)C(NC1=O)(CC)CC	PC-id_46524013	406.499	YOYFHAOFXJGMPL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-117649
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(c(c1C)CC)C(=O)OCC	PC-id_55577274	406.499	DIFTXQLGJCFZQL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-117650
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(c(CC(C)C)c1)C(=O)OC	PC-id_55672817	406.499	IENMLHISCHOWNH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-117651
S(c1n2CCCCCc2nn1)CC(=O)NCc1cc(OC)c(OC)c(OC)c1	PC-id_8379651	406.499	HIJQISHMKLEOAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117652
S(c1n2CCCCCc2nn1)CC(=O)NCc1c(OC)cc(OC)c(OC)c1	PC-id_8379677	406.499	ZWUIRWMTPLNQRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117653
S(=O)(=O)(c1ccc(N(C(C)C)C(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C	PC-id_56502228	406.499	QPIIWKARYXXWII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117654
S(=O)(=O)(CCCNC(=O)Cn1nc2n(CCCCC2)c1=O)Cc1ccccc1	PC-id_55841435	406.499	SGTXCFSNKDYPAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117655
c1(NC(=O)c2cccnc2)sc2c(CCCCC2)c1C(=O)NCc1cccnc1	MCULE-4108416142,ZINC22_1170885,PC-id_1336779,EMOLS-id_177539808	406.501	SVZYALVWXALKQD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-117656
Cc1ccc(cc1)C(=O)NCCc1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)O	GD-id_ZINC11995512	406.501	KPPGDUYFFSWQLL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-117657
Cc1ccc(cn1)C(=O)N1CCc2nc(sc2CC1)C(=O)NCc1ccccc1	ZINC22_1147161831,EMOLS-id_313794360	406.501	CQAMVXRKUQWUQE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117658
N#Cc1c(NC(=O)Cn2ccnc2C(c2ccccc2)O)sc2c1CCCCC2	EMOLS-id_48836280,PC-id_75478096,MCULE-8742368309	406.501	RKSNLVRPDSWHBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117659
N#Cc1c(NC(=O)Cn2ccnc2[C@@H](O)c2ccccc2)sc2c1CCCCC2	PC-id_97307452,ZINC22_95941609	406.501	RKSNLVRPDSWHBK-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117660
N#Cc1c(NC(=O)Cn2ccnc2[C@H](O)c2ccccc2)sc2c1CCCCC2	PC-id_97307453,ZINC22_95941610	406.501	RKSNLVRPDSWHBK-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117661
O=C(Nc1ccccc1)c1nc2c(s1)CCN(C(=O)NCc1ccccc1)CC2	EMOLS-id_44303738,PC-id_97442409,ZINC22_96146885	406.501	ULWRENHVTSYPAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117662
s1c(COc2c(OC)cc(C=C(c3n4CCCCCc4nn3)C#N)cc2)ccc1	PC-id_78694028	406.501	RXIHJWZMIOIUSN-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-117663
s1c(COc2c(OC)cc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)ccc1	PC-id_8426688	406.501	RXIHJWZMIOIUSN-SFQUDFHCSA-N	00000000100100110101000000000010000000000000000000000000	31-01-117664
S(c1n2CCCCCc2nn1)CC(=O)c1ccc(NC(=O)c2ccccc2)cc1	PC-id_8410056	406.501	INFLRRRROLJBAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117665
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(C(=O)c2ccccc2)cccc1	PC-id_7876667	406.501	USIXTCRJKGJOTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117666
CC(C)Cn1c(N)c(C(=O)CSc2nnc3n2CCCCC3)c(=O)n(C)c1=O	PC-id_8001695,ZINC22_6580148,EMOLS-id_3502062,CoCoCo_3081763,MCULE-7218961415	406.502	GRJPXBWORNOHGF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-117667
CC(Cn1c(N)c(/C(=C/Sc2nnc3n2CCCCC3)/O)c(=O)n(c1=O)C)C	CoCoCo_3081764,CoCoCo_3081767	406.502	LQWBTKPATCGRAX-BENRWUELSA-N	00000000100000100101000000000010000000000000000000000000	31-01-117668
CC(Cn1c(N)c(/C(=CSc2nnc3n2CCCCC3)/O)c(=O)n(c1=O)C)C	CoCoCo_3081765,CoCoCo_3081766	406.502	LQWBTKPATCGRAX-ZRDIBKRKSA-N	00000000100000100101000000000010000000000000000000000000	31-01-117669
CCOC(=O)Cc1csc(n1)NC(=O)NC(c1nnc2n1CCCCC2)CC	PC-id_71876603,MCULE-7554557614,EMOLS-id_43646094	406.502	FBXGRRXVFSUZBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117670
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CCOC(=O)Cc1csc(NC(=O)N[C@H](CC)c2nnc3n2CCCCC3)n1	ZINC22_78806250,PC-id_96503072	406.502	FBXGRRXVFSUZBX-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117672
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Cc1ccc(c2nnn(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)n2)cc1	MCULE-3864915353,PC-id_8195350,EMOLS-id_3494106,CoCoCo_3950997,ZINC22_7061086	406.504	SQSUQXXITGHVSG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117674
CCc1cc(nn1CC(=O)N1CCc2c(CC1)sc(n2)N)c1cccc(c1)C#N	SCHEMBL15002222,PC-id_89608132	406.504	GGNYZQHFUZAYHR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117675
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	PC-id_7877586	406.504	SCVCYGBUXVBXLM-WCWDXBQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-117676
OCC1CC(O)CC(O1)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)(C)C)OC	PC-id_144227146	406.514	BMHSZDXWXLZOOZ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-117677
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(F)cc2)sc2c1CCCCCC2	ZINC22_408971216	406.516	DTSCPUHVRGPENC-WGOQTCKBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117678
s1c2CCCCCCc2cc1C(=O)OCC(=O)c1ccc(S(=O)(=O)C)cc1	PC-id_18171211	406.516	NCQIBYPFVUZLIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117679
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s1c2c(CCCCCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_7308781	406.516	GNLDXJZHRUMQTK-ZIAGYGMSSA-M	00000000100010000100000000000010000000000000000000000000	31-01-117683
s1c2c(CCCCCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_7308782	406.516	GNLDXJZHRUMQTK-KBPBESRZSA-M	00000000100010000100000000000010000000000000000000000000	31-01-117684
c1(NC(=O)c2ccccc2S(=O)(=O)CC)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_4983613,CoCoCo_5157768,PC-id_7295163,MCULE-3558917533,ZINC22_4585751	406.519	DPSVSKAKBRBGHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117685
c1(NC(=O)c2cccc(c2)S(=O)(=O)CC)sc2c(CCCCC2)c1C(=O)N	MCULE-1648128347,ZINC22_4585826,CoCoCo_5157930,PC-id_7295230,EMOLS-id_4983699	406.519	OULUYQMPQLUWEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117686
c1(NC(=O)c2ccc(cc2)S(=O)(=O)CC)sc2c(CCCCC2)c1C(=O)N	MCULE-2103518703,ZINC22_5241797,PC-id_7579452,EMOLS-id_5588097,CoCoCo_5158109	406.519	NVAKBQVHYBPBJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117687
c1(NC(=O)Cc2ccc(cc2)S(=O)(=O)C)sc2c(CCCCC2)c1C(=O)N	ZINC22_10252729,CoCoCo_5191507,EMOLS-id_4987349,PC-id_16823790,MCULE-9816846416	406.519	CGRRVQAZCQWWRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117688
c1(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)N	CoCoCo_5057618,EMOLS-id_5522560,ZINC22_4325553,PC-id_7189681,MCULE-9138842873	406.519	XFSJJCGSHNSUMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117689
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O(C(=O)N1Cc2n(CCC1)cnc2C(=O)CC(C(C)(C)C)C(=O)NC)C(C)(C)C	PC-id_76657260	406.519	MPTJBQYLBCCGPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117692
O(C(=O)N1Cc2n(CCC1)cnc2C(=O)C[C@@H](C(C)(C)C)C(=O)NC)C(C)(C)C	PC-id_58135675	406.519	MPTJBQYLBCCGPK-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117693
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(ccc(S(=O)(=O)C)c1)C	PC-id_9301038	406.519	JNEODIHZKQQMDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117694
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(CS(=O)(=O)C)cc1	PC-id_9301013	406.519	KXVQYDKEDQONIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117695
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(CS(=O)(=O)C)ccc1	PC-id_26312418	406.519	LLNNDUBDZPPWQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117696
s1c2CCCCCc2cc1C(=O)NNC(=O)CCS(=O)(=O)c1ccccc1	PC-id_9301097	406.519	SHLDKJQOFUSSTC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117697
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)NCCc1sccc1	PC-id_55384369	406.519	XCZAFNYMVWVLQR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117698
s1c2c(CCCCC2)c(c1NC(=O)c1cc(CS(=O)(=O)C)ccc1)C(=O)N	PC-id_55386704	406.519	APPPIPVCHRGWFM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117699
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1ccc(cc1)C)C(=O)N	PC-id_43980596	406.519	AKYAJFQHDOEEPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117700
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)C)cc1	PC-id_9441601	406.519	DYFZRBVTJVUTSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117701
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)C)ccc1	PC-id_25443653	406.519	WOJVCHSPZMFTIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117702
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1)C(=O)C	PC-id_26952085	406.519	KLCJKYOBOYVKGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117703
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(cc1)C(=O)C	PC-id_8482902	406.519	WRQCEMVNAGSXFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117704
s1c2CCCCCCc2cc1C(=O)OC(C(=O)Nc1sccc1C(=O)N)C	PC-id_84879002	406.519	KHUOXHOHCBYDTK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117705
s1c2CCCCCCc2cc1C(=O)O[C@H](C(=O)Nc1sccc1C(=O)N)C	PC-id_8943271	406.519	KHUOXHOHCBYDTK-NSHDSACASA-N	00000000100100000100000000000010000000000000000000000000	31-01-117706
s1c2CCCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1sccc1C(=O)N)C	PC-id_8943278	406.519	KHUOXHOHCBYDTK-LLVKDONJSA-N	00000000100100000100000000000010000000000000000000000000	31-01-117707
c12C(=O)N(CCCn1nc(C(=O)NCCC1=CCCCC1)c2)Cc1ccc(cc1)C	PC-id_50797960,EMOLS-id_32846132,MCULE-9451533507	406.521	STXMKTZMQJIGBQ-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-117708
c12C(=O)N(CCCn1nc(C(=O)NCCC1=CCCCC1)c2)Cc1cccc(C)c1	EMOLS-id_32633170,PC-id_53034578,MCULE-7062445270	406.521	WGVXNQXFCWKIMN-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-117709
CCOc1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)ccc1OC	CoCoCo_1375048,CoCoCo_1375049,ChEMBL-DNDi_CHEMBL43364541,EMOLS-id_20571185,PC-id_26344420,ZINC22_14989766,MCULE-2572598326	406.521	XULMISHNBDAGMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117710
COc1cc(CN2CCc3nnc(C(C)C)n3CC2)ccc1OCc1ccccc1	CoCoCo_1584234,ZINC22_14990562,PC-id_26345326,MCULE-7083122181,CoCoCo_1584233,EMOLS-id_20709139	406.521	VQEYRVOEQFMFEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117711
O(c1cc(CNCCc2n3CCCCCc3nn2)ccc1OC)Cc1ccccc1	PC-id_56438326	406.521	QXOJWMPTOQUMLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117712
O(c1c(CN2CCn3c(nnc3CCc3ccccc3)CC2)ccc(OC)c1C)C	PC-id_28321782	406.521	IAPWYWKSFDPCPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117713
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)CCC(=O)C)CCn12	PC-id_45929726,EMOLS-id_232720231,MCULE-7176774886,ChEMBL-DNDi_CHEMBL23212896	406.522	QQDGKAJSPXMXTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117714
c1(NC(=S)NC(=O)c2ccnn2C)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_5820221,EMOLS-id_4085528,ZINC22_2746721,TIMTEC463831,PC-id_19578798,MCULE-4461921446	406.522	SZEOLSACEZTPLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117715
c1(NC(=S)NC(=O)c2ccnn2C)sc2c(CCCCCC2)c1C(=O)OC	STOCK4S-91139,EMOLS-id_4638741,ZINC22_2452772,TIMTEC395891,MCULE-8236406246,PC-id_2047495	406.522	QBIJRCKYLOVFJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117716
Cc1noc(c1)c1sc(c(c1)S(=O)(=O)NCc1n[nH]c2c1CCCCC2)C	EMOLS-id_222782393,MCULE-8966686939	406.522	SIDFPSIIVOZSFC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-117717
Cc1sc(c2ccno2)cc1S(=O)(=O)N(C)Cc1n[nH]c2c1CCCCC2	EMOLS-id_316219182,ZINC22_1506400763,MCULE-4208103569	406.522	CGBYUDPEBZEFQO-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-117718
CC(=O)CCC(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n2CC1	ZINC22_11868026	406.522	QQDGKAJSPXMXTI-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117719
CC(=O)CCC(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)CN(C)C)n2CC1	ZINC22_11868029	406.522	QQDGKAJSPXMXTI-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117720
CS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc4n3CCCCC4)ccc12	EMOLS-id_3510500,MCULE-6482686655,PC-id_8004526,CoCoCo_3654384,ZINC22_6587599	406.522	SRZXYDGLXRJDDO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-117721
O=C(c1[nH]c2=CC=C(CC=c2c1C)S(=O)(=O)C)NCCCC1CCOCCC1	PC-id_143170927	406.539	PJCNHVKSAABFOC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-117761
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccc2c(c1)CCN2S(=O)(=O)C	CoCoCo_3654387,CoCoCo_3654386	406.522	KPDKJARNAMBWTD-FOWTUZBSSA-N	00000010100000100101000000001010000000000000000000000000	31-01-117722
O/C(=CSc1nnc2n1CCCCC2)/c1ccc2c(c1)CCN2S(=O)(=O)C	CoCoCo_3654388,CoCoCo_3654385	406.522	KPDKJARNAMBWTD-VBKFSLOCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-117723
O=C(N1CCN(CCC1)CC(=O)N(CC)CC)Cn1nc2n(CCCCC2)c1=O	PC-id_55683111	406.522	ZSLPKBWSYMMJEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117724
c1(C(=O)NCC2(CCCCC2)Cc2nnc3ccccn23)c2CCCCCc2[nH]n1	EMOLS-id_323255217,MCULE-2329152017	406.524	DRCSRORUDVEOPY-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-117725
Cc1c(c(ccc1)N1CCN(CC1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)C	PC-id_135779709	406.524	SJSXFLBGNUFCSZ-VZCXRCSSSA-N	00000000100010110101100000000010000000000000000000000000	31-01-117726
CC1(C)[C@H]2CC=C(CN3CCc4nnc(CNC(=O)c5ccccn5)n4CC3)[C@@H]1C2	EMOLS-id_232707570,ZINC22_11975573,PC-id_42326353,MCULE-2616155906	406.524	UEHSOTGNCXOIAH-ROUUACIJSA-N	00001000100011101101001000000010000000000000000000000000	31-01-117727
CC(=C)[C@@H]1CCC(=CC1)CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccncc1	CoCoCo_1324641,CoCoCo_1324643	406.524	AUDJWZSCLCDHDW-IBGZPJMESA-N	00000000100011101101000000000010000000000000000000000000	31-01-117728
CC(=C)[C@H]1CCC(=CC1)CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	CoCoCo_1324642,ZINC22_12156108,MCULE-2385332079,PC-id_42434647,CoCoCo_1324640,EMOLS-id_26002719	406.524	AUDJWZSCLCDHDW-LJQANCHMSA-N	00000000100011101101000000000010000000000000000000000000	31-01-117729
O=C(c1ccncc1)NCc1nnc2n1CCN(CC2)CC1=CC[C@H]2C[C@@H]1C2(C)C	ChEMBL-DNDi_CHEMBL18015219	406.524	RDYKPXUAWMYUJE-OALUTQOASA-N	00001000100011101101001000000010000000000000000000000000	31-01-117730
O=C(CN1CCN(CC1)c1c(c(ccc1)C)C)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78700386	406.524	APLVLVOKIIJUBS-UHFFFAOYSA-N	00000011000010110111100000000010000000000000000000000000	31-01-117731
O=C(CN1CCN(CC1)c1c(c(ccc1)C)C)/C(=C
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O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1[nH]c2c(c1)c(cc(c2)C)C	PC-id_46691808	406.524	XXKVDMXFYHEWPT-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-117733
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CCc1c2c([nH]c1)cccc2	PC-id_46449503	406.524	XJQFEVTUYVLHPM-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-117734
O=C(NCc1n2CCN(CC3=CCC4C(C3C4)(C)C)CCc2nn1)c1ncccc1	PC-id_74843495	406.524	UEHSOTGNCXOIAH-UHFFFAOYSA-N	00001000100011101101001000000010000000000000000000000000	31-01-117735
O=C(NCc1n2CCN(CC3=CCC(CC3)C(=C)C)CCc2nn1)c1ccncc1	PC-id_74803197	406.524	AUDJWZSCLCDHDW-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-117736
CCNC(=NCc1ccccc1Cn1cccn1)NCc1nnc2n1CCCCC2	PC-id_111849647	406.527	NLGOXKLKXKKEDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117737
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ncc([nH]1)c1ccccc1)C	PC-id_109842862	406.527	RNYGAQCXTRWSOB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117738
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccc(cc1)n1cccn1	PC-id_111863826	406.527	IVYFUIMROJSCJO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117739
CN=C(NCc1ccccc1Cn1cccn1)NCCc1nnc2n1CCCCC2	PC-id_111851574	406.527	DUUPTWUJFQXAKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117740
CN=C(NCc1nnc2n1CCCCC2)NCc1ccccc1n1nc(cc1C)C	PC-id_109795216	406.527	MLKLQAHAWNDNAK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117741
c1(NC(=S)Nc2ccc(cc2)F)sc2c(CCCCCC2)c1C(=O)OCC	ZINC22_6595177,PC-id_3301615,MCULE-6144892391,EMOLS-id_4085550,CoCoCo_6800636,TIMTEC313025	406.537	MMXGGTVAGZYBCF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117742
c1(NC(=S)Nc2cccc(F)c2)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_3301616,CoCoCo_6800637,MCULE-6589864414,EMOLS-id_4085552,TIMTEC290028,ZINC22_6595180	406.537	LNDICUPPTZXVTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117743
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(F)cc1)C(=O)N	PC-id_41271682	406.537	JSHNRLUPJAOGKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117744
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1F)C)C(=O)OCC	PC-id_19687267	406.537	ZGRUXFQWTHCJNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117745
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(ccc(F)c1)C)C(=O)OCC	PC-id_19687345	406.537	MMSKNZGYVKNSIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117746
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc(F)cc1)C)C(=O)OCC	PC-id_19679959	406.537	YMTDIYDRJVZRSH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117747
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(F)c(cc1)C)C(=O)OCC	PC-id_20413108	406.537	ZEKCOUHQMLPTGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117748
s1c2c(CCCCC2)c(c1NC(=S)NCc1ccc(F)cc1)C(=O)OCC	PC-id_19649352	406.537	DMCVIPPEYOBHIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117749
s1c2c(CCCCC2)c(c1NC(=S)NCc1c(F)cccc1)C(=O)OCC	PC-id_19679688	406.537	UCADIGMKOAYSQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117750
s1c2c(CCCCC2)c(c1NC(=S)NCCc1ccc(F)cc1)C(=O)OC	PC-id_19649764	406.537	RSCVISGLXWIWNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117751
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1F)C)C(=O)OC	PC-id_19687261	406.537	ULNPUJLCYZGBSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117752
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(ccc(F)c1)C)C(=O)OC	PC-id_19687339	406.537	TYTHANVBRDGYPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117753
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc(F)cc1)C)C(=O)OC	PC-id_19679953	406.537	DZKPXBLNJDSUKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117754
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(F)c(cc1)C)C(=O)OC	PC-id_20413101	406.537	BLGUONRLPYDRSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117755
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(F)cccc1)C(=O)OCC	PC-id_20409093	406.537	FSKKMSBJKFJSGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117756
s1c2c(CCCCCC2)c(c1NC(=S)NCc1ccc(F)cc1)C(=O)OC	PC-id_19649346	406.537	OAHXKFNDXSEZGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117757
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(F)cccc1)C(=O)OC	PC-id_19679681	406.537	LCBPFOIRGBXKOT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117758
c1(c2CCCCCc2sc1NC(=O)CCCC(=O)O)C(=O)NC1CCCCC1	ZINC22_17087432,EMOLS-id_4085554,CoCoCo_6831903,TIMTEC384977,PC-id_17377011,MCULE-1768546323	406.539	PPDGLIXSWZXKLD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117759
CCCC1C=CC=c2c(=C1)ccn2Cc1ccc(cc1F)C(=NC1CCNCC1)N	PC-id_145324189	406.539	OCDVAKYPMUXBNN-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-117760
s1c2c(CCCCC2)c(c1NC(=O)C1CCN(CC1)C(=O)C(C)C)C(=O)OC	PC-id_78883128	406.539	PTEYWTBZZKCHMW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-117762
s1c(C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)ccc1C=O	PC-id_10573408	406.539	RDHAUCQLLCZBGY-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-117763
C1CN(c2c(CN(C1=O)Cc1ccccc1)scc2)CC(Cc1ccccc1)O	PC-id_134786989	406.54	VGMKZQDXDGZTNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117764
COC(=O)c1c(C)c2n(c1Sc1ccccc1)CN(CCC2)Cc1ccccc1	PC-id_102421149	406.54	RSHNWUROZHJYIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117765
s1c2c(CCCCCC2)c(c1N=Cc1occc1)C(=O)Nc1c(c(ccc1)C)C	PC-id_23740581	406.54	QYPKODPVVYWTIP-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-117766
s1c2c(CCCCCC2)c(c1N=Cc1occc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_24074927	406.54	BIWVMEMTDNWQML-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-117767
s1c2c(CCCCCC2)c(c1N=Cc1occc1)C(=O)Nc1cc(c(cc1)C)C	PC-id_24098330	406.54	KNEVRUXBVBXSIC-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-117768
s1c2c(CCCCCC2)c(c1N=Cc1occc1)C(=O)Nc1cc(cc(c1)C)C	PC-id_24106441	406.54	KBNBVCKSIGCSJI-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-117769
c1(NC(=O)CCCC(=O)N2CCNC(=O)C2(C)C)sc2c(CCCCCC2)n1	ZINC22_19460358,SYN-20001979,MCULE-5975760586,CoCoCo_492604,EMOLS-id_30435019,PC-id_46969071	406.542	NGQRJDHWUMEWPK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117770
CC(C)Cn1nc2CCN(CCn2c1=O)S(=O)(=O)c1ccc(cc1)C(C)(C)C	EMOLS-id_55716848,MCULE-7423452079	406.542	JCFWXDPRSFEZNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117771
COCCN(CCC(=O)Nc1sc2CCCCCc2c1C#N)CC(=O)N(C)C	PC-id_78899203,EMOLS-id_337900844	406.542	GISHONXXQBYBPG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117772
CS(=O)(=O)c1ccc2nc(NC(=O)c3cc4c(s3)CCCCC4)sc2c1	MCULE-8315659963,CoCoCo_3262162,PC-id_4879680,ZINC22_6638430,EMOLS-id_3339067	406.542	ZFYZURFMYXVMSK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-117773
s1c2c(CCCCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CC	PC-id_74378491	406.542	PALVKXUNJKGBHL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117774
s1c2CCCCCc2c(c1NC(=O)CCN(CC(=O)NCCCOC)C)C#N	PC-id_55431997	406.542	ITQGGXGRTACODM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117775
s1c2CCCCCc2c(c1NC(=O)C(N(CC(=O)NCCCOC)C)C)C#N	PC-id_55445526	406.542	ADZMZIJPIBSPOO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117776
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)C	PC-id_76858917	406.542	WITNRLBBDYDGKC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117777
c1(CN(C)C(=O)c2ccc(cc2)CSc2ccccn2)c2CCCCCc2[nH]n1	ZINC22_827887560,MCULE-6630912731,EMOLS-id_232836683	406.544	LQGJAEIAQHKQSC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-117778
Cc1cc(cc(c1)C)NC(=O)C(c1ccccc1)Sc1nnc2n1CCCCC2	PC-id_16291049,EMOLS-id_11707867,MCULE-8242270304	406.544	UPKANFQBFXQDCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117779
Cc1ccc(c(c1)NC(=O)C(c1ccccc1)Sc1nnc2n1CCCCC2)C	EMOLS-id_11707865,MCULE-5530971223,PC-id_16291046	406.544	OXLHTZCUGSYSBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117780
Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1	CoCoCo_3081379,PC-id_7876635,ZINC22_6097032	406.544	OXLHTZCUGSYSBK-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117781
Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1	PC-id_7876636,ZINC22_6097033,CoCoCo_3081380	406.544	OXLHTZCUGSYSBK-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117782
Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1	PC-id_9166327,ZINC22_8036502,CoCoCo_3081394	406.544	UPKANFQBFXQDCU-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117783
Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1	ZINC22_8036500,CoCoCo_3081393,PC-id_9166325	406.544	UPKANFQBFXQDCU-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117784
CC(C(=O)NC(c1ccccc1)c1ccccc1)Sc1nnc2n1CCCCC2	MCULE-5720660457,EMOLS-id_11896400,PC-id_17400395	406.544	SJTQJEVOADHLBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117785
C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc(c2ccccc2)cc1	PC-id_9203819,ZINC22_8071320,CoCoCo_3082287	406.544	HCVQSZUPSWQXTD-QGZVFWFLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117786
C[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc(c2ccccc2)cc1	ZINC22_8071316,PC-id_9203815,CoCoCo_3082286	406.544	HCVQSZUPSWQXTD-KRWDZBQOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117787
C[C@H](Sc1nnc2n1CCCCC2)C(=O)NC(c1ccccc1)c1ccccc1	PC-id_7877187,ZINC22_6097855,CoCoCo_3081913	406.544	SJTQJEVOADHLBA-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117788
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)NC(c1ccccc1)c1ccccc1	PC-id_7877189,CoCoCo_3081914,ZINC22_6097859	406.544	SJTQJEVOADHLBA-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117789
O=C(CSc1nnc2n1CCCCC2)N(Cc1ccccc1)Cc1ccccc1	PC-id_7877593,CoCoCo_3082236,MCULE-1812668174,ZINC22_6098413,EMOLS-id_3662992	406.544	WXNHBDYLUVTQBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117790
O=C(NC(c1ccc(cc1)c1ccccc1)C)CSc1nnc2n1CCCCC2	MCULE-1927084870,PC-id_16292450,EMOLS-id_43775530	406.544	HCVQSZUPSWQXTD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117791
s1c2CCCCCc2c(c1NC(=O)CN(CCC)Cc1ccc(cc1)C#N)C#N	PC-id_55843351	406.544	YJZQTGWQZCBSCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117792
S(c1n2CCCCCc2nn1)CC(=O)N(C(c1ccccc1)c1ccccc1)C	PC-id_60359096	406.544	KTDYOFDVEIOXQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117793
S(c1n2CCCCCc2nn1)CC(=O)N(Cc1ccccc1)c1cc(ccc1)C	PC-id_8320233	406.544	IEWCUUOQROSRCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117794
S(c1n2CCCCCc2nn1)CC(=O)NC(Cc1ccccc1)c1ccccc1	PC-id_46814174	406.544	LOSAQBONJPHKEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117795
S(c1n2CCCCCc2nn1)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1	PC-id_8521422	406.544	LOSAQBONJPHKEM-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117796
S(c1n2CCCCCc2nn1)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1	PC-id_8521423	406.544	LOSAQBONJPHKEM-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117797
C[C@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1NS(=O)(=O)C	CoCoCo_4933755,ZINC22_40139439,PC-id_51957963	406.562	GLBOPIQAQHLCRF-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117798
C[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1NS(=O)(=O)C	ZINC22_40139440,CoCoCo_4933754,PC-id_51957964	406.562	GLBOPIQAQHLCRF-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117799
CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1C	EMOLS-id_44141753,ZINC22_59886920,MCULE-9077492479,PC-id_52718455	406.562	BLDBEOYYCPFPBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117800
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1ccc(cc1)C(C)(C)C	PC-id_17550546,EMOLS-id_43898263,CoCoCo_3538123,MCULE-2036337016	406.562	ZJGKKJSTNFAVHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117801
O=C(c1sc2c(c1)CCCCCC2)NC(c1ccccc1NS(=O)(=O)C)C	EMOLS-id_29592840,PC-id_45906565,MCULE-1549054057	406.562	GLBOPIQAQHLCRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117802
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1	PC-id_7926266	406.562	LAYBDDQPXXVAPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117803
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1	PC-id_9371839	406.562	BJYPNCRUQCMWAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117804
s1c2CCCCCCc2cc1C(=O)Nc1c(ccc(S(=O)(=O)N(C)C)c1)C	PC-id_26244304	406.562	RGTHEWOLBOKXQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117805
s1c2CCCCCCc2cc1C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	PC-id_52658791	406.562	LFJKLEYRTMIYNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117806
s1c2CCCCCCc2cc1C(=O)N(C(c1cc(S(=O)(=O)N)ccc1)C)C	PC-id_56462057	406.562	HFXHIGXPYLUVIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117807
s1c2CCCCCCc2cc1C(=O)NCc1c(S(=O)(=O)N(C)C)cccc1	PC-id_26060088	406.562	JJRQUBPSJIUNJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117808
s1c2CCCCCCc2cc1C(=O)NCCS(=O)(=O)NCc1ccccc1	PC-id_52616023	406.562	DAARHBJSGFDTPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117809
S1CCCN(c2c1scc2)C(=O)CCNCCc1cc(OC)c(OC)cc1	PC-id_9978699	406.562	INWPNKAOHQTOAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117810
S1CCCN(c2sccc12)C(=O)CCNCCc1cc(OC)c(OC)cc1	PC-id_10481853	406.562	IDFGISLIGOTWHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117811
CCNc1ccc(cc1)C(=O)N1CCc2cccn2C=CCC(CC(=NCC1)C)C	PC-id_91128540	406.564	HAJJHFBQYAOTEJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-117812
c1(NC(=S)NCc2cc(n(C)n2)C)sc2c(CCCCCC2)c1C(=O)OC	PC-id_2207500,CoCoCo_994304,EMOLS-id_2003379,ChEMBL-DNDi_CHEMBL7800136,TIMTEC168260,MCULE-6843294195,ZINC22_2853829	406.565	GHLLYUFIASJPHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117813
c1(NC(=S)NCc2cn(nc2C)C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4391992130,TIMTEC117984,EMOLS-id_4085666,CoCoCo_6800023,ZINC22_5979993,PC-id_3271109	406.565	DDIJJXBQVJCPNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117814
c1(NC(=S)NCc2cnn(C)c2C)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_5979994,PC-id_3271116,EMOLS-id_4085660,CoCoCo_6800031,MCULE-4196115849,TIMTEC408168	406.565	QPBAWCVRRQLQMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117815
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N(C)Cc1cnn(C)c1	PC-id_4636189,TIMTEC409959,ZINC22_6844315,CoCoCo_6800028,EMOLS-id_4085658,MCULE-9062354366	406.565	QRBBFWLUDAULEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117816
CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2nnc3n2CCCCC3)s1	PC-id_8521427,MCULE-3641570997,EMOLS-id_3704533,ZINC22_7426241,CoCoCo_3892264	406.565	QAKDGVNYHVMOOE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-117817
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCOCC1CCCO1	PC-id_111408279	406.565	PPQQAMPPXDSKLD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-117818
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCOCC1CCOC1	PC-id_111646856	406.565	PONLFFOXAMCCGN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-117819
CCNC(=NCCCOCC1CCOCC1)NCCc1nnc2n1CCCCC2	PC-id_111642544	406.565	SIERPOFTLJOHNJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117820
CN=C(NCCCc1nnc2n1CCCCC2)NCCCOCC1CCOCC1	PC-id_111644116	406.565	HCUCYSKKVRGTAX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117821
COCCCOC1CCN(CC1)C(=NCCc1nnc2n1CCCCC2)NCC	PC-id_109508625	406.565	SDXKOCLLEXMUCD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117822
COCCCOC1CCN(CC1)C(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109509543	406.565	FJOCDRNCNQPSIZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117823
COCCOCC1CCN(C1)C(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_111747839	406.565	FUAMRXSJAHDVRT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-117824
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccc(s1)CNC(=O)C(C)(C)C	CoCoCo_3892267,CoCoCo_3892266	406.565	SVWAAMUDEFKITR-WYMLVPIESA-N	00000000100100000101000000000010000000000000000000000000	31-01-117825
O/C(=CSc1nnc2n1CCCCC2)/c1ccc(s1)CNC(=O)C(C)(C)C	CoCoCo_3892268,CoCoCo_3892265	406.565	SVWAAMUDEFKITR-OWBHPGMISA-N	00000000100100000101000000000010000000000000000000000000	31-01-117826
s1c2CCCCCc2c(c1NC(=O)CSC1NC(CCC)CC(=O)N1)C#N	PC-id_78343081	406.565	MOOAKFKGTYLCRH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117827
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)CC)C)C(=O)OC	PC-id_20167894	406.565	WBXINDOVWYDUOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117828
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)C)C)C(=O)OCC	PC-id_20166630	406.565	BVZMQSGWTUDRHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117829
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(nn(c1)CC)C)C(=O)OCC	PC-id_20177545	406.565	WGRZBNQFJGQYAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117830
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1)CC)C)C(=O)OCC	PC-id_20177603	406.565	GFWFNVHIYZQWJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117831
s1c2c(CCCCC2)c(c1NC(=S)NC(c1c(nn(c1)C)C)C)C(=O)OC	PC-id_20177046	406.565	MXULHYMKUQZAEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117832
s1c2c(CCCCC2)c(c1NC(=S)NC(c1c(n(nc1)C)C)C)C(=O)OC	PC-id_20177103	406.565	UMVXXNIWQWTGFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117833
s1c2c(CCCCC2)c(c1NC(=S)NCc1c(n(nc1C)C)C)C(=O)OC	PC-id_20177806	406.565	ISKKDULIGDEAFK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117834
s1c2c(CCCCC2)c(c1NC(=S)NCc1c(nn(c1)CC)C)C(=O)OC	PC-id_20177917	406.565	VKMVCZHCVLKQOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117835
s1c2c(CCCCC2)c(c1NC(=S)NCc1c(n(nc1)CC)C)C(=O)OC	PC-id_20177971	406.565	LDLFVQMMOKYALN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117836
s1c2c(CCCCC2)c(c1NC(=S)NCc1cn(nc1)CC)C(=O)OCC	PC-id_20177866	406.565	NGNXPQXGMPAHGD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117837
s1c2c(CCCCC2)c(c1NC(=S)NCc1nn(c(c1)C)C)C(=O)OCC	PC-id_20171972	406.565	UIBLGOUGFGXAGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117838
s1c2c(CCCCC2)c(c1NC(=S)NCc1n(ncc1)CC)C(=O)OCC	PC-id_20175117	406.565	AJFXDJSCXCVAFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117839
s1c2c(CCCCC2)c(c1NC(=S)NCc1nn(CC)cc1)C(=O)OCC	PC-id_20175061	406.565	OVLGJJOQMLGEDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117840
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1ncc(c1)C)C(=O)OC	PC-id_20174249	406.565	VXZALKBKGMWPES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117841
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1nc(cc1)C)C(=O)OC	PC-id_20174309	406.565	HQSIZSCUPGAKNV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117842
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1nccc1C)C(=O)OC	PC-id_20174429	406.565	RYHIQHXXCGOELW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117843
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1nccc1)C(=O)OCC	PC-id_20174584	406.565	SDSKFDZNNWAFTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117844
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)C)C)C(=O)OC	PC-id_20166624	406.565	GBMAVQSJHDQSPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117845
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(nn(c1)CC)C)C(=O)OC	PC-id_20177538	406.565	JXNXWTBPDMOMHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117846
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1)CC)C)C(=O)OC	PC-id_20177597	406.565	YZPMTPZOHXBQEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117847
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(nn(c1)C)C)C(=O)OCC	PC-id_20177304	406.565	QFOYSAJFYFRUPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117848
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1)C)C)C(=O)OCC	PC-id_20177364	406.565	KDDOFAQCUFBGTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117849
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(CC)cc1)C(=O)OCC	PC-id_20177453	406.565	QHWIDNURVSTDJX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117850
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(nn(c1)C)C)C(=O)OC	PC-id_20177701	406.565	WLTSXAYFGOQVDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117851
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(n(nc1)C)C)C(=O)OC	PC-id_20177751	406.565	VTDMBRQKDHLBIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117852
s1c2c(CCCCCC2)c(c1NC(=S)NCc1cn(nc1)CC)C(=O)OC	PC-id_20177862	406.565	NISFCUYQSCGLQY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117853
s1c2c(CCCCCC2)c(c1NC(=S)NCc1cn(nc1)C)C(=O)OCC	PC-id_20177646	406.565	NNAPISZJPSTNPN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117854
s1c2c(CCCCCC2)c(c1NC(=S)NCc1n(ncc1)CC)C(=O)OC	PC-id_20175111	406.565	JHWPANOMXDSUAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117855
s1c2c(CCCCCC2)c(c1NC(=S)NCc1nn(cc1)C)C(=O)OCC	PC-id_20174932	406.565	SLNCUBUFJPMSEM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117856
s1c2c(CCCCCC2)c(c1NC(=S)NCc1n(ncc1)C)C(=O)OCC	PC-id_20174993	406.565	QFEYCHKFKMDXGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117857
s1c2c(CCCCCC2)c(c1NC(=S)NCc1nn(CC)cc1)C(=O)OC	PC-id_20175054	406.565	WWEJPKXBJLSQGR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117858
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1nccc1)C(=O)OC	PC-id_20174577	406.565	ONRODLGBGZNZOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117859
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(c(cc1)C)C)C(C)C)C	PC-id_74793102	406.565	WMLHMVUQDKXANI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-117860
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)C(C)C)C	PC-id_74801709	406.565	UCABTTPTVJZRTP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-117861
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(c(cc1)C)C)C(C)C)C	PC-id_42376412	406.565	WMLHMVUQDKXANI-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-117862
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(c(cc1)C)C)C(C)C)C	PC-id_42376413	406.565	WMLHMVUQDKXANI-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-117863
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)C(C)C)C	PC-id_42419722	406.565	UCABTTPTVJZRTP-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-117864
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)C(C)C)C	PC-id_42419728	406.565	UCABTTPTVJZRTP-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-117865
CN=C(N1CC2(c3c1cccc3)CCCC2)NCCCc1nnc2n1CCCCC2	PC-id_112086593	406.567	PXSSDRRXQHTHEK-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-117866
CN=C(N1CCC(=Cc2ccccc2)CC1)NCCCc1nnc2n1CCCCC2	PC-id_109414675	406.567	FYGOFXKNFXVTIQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-117867
S=c1n2CCCCCc2nn1CN1CCN(CC1)C(=O)Cc1scc(n1)C	PC-id_9324971	406.569	PPVUVTBLOXFRIS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117868
c1(NC(=O)CCC(=O)NC2CC(C)(C)NC(C)(C)C2)sc2c(CCCCC2)n1	EMOLS-id_335061781,MCULE-8734919948	406.585	PBGRLJHMPQWGIV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117869
O=C(COc1ccc(C2SCCS2)cc1)Nc1nc2c(s1)CCCCC2	MCULE-4256206965,EMOLS-id_44038040,PC-id_29859420,ZINC22_21902210	406.585	INGJYQIMWFUHGJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-117870
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(SC)cccc1)C(=O)OC	PC-id_19648721	406.585	XZKVCJNFEOERHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117871
CCc1cc(nn1CC(=C)N1CCc2c(CC1)nc(s2)C)c1ccc(c(c1)C)C	PC-id_145587950	406.587	FMYFUTPVTMWETO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117872
CCCCc1csc2c1NC=NCCCCCN(C2=C)Cc1ccccc1C#N	PC-id_135248101,SCHEMBL20407968	406.587	PVHIHTHVFFKJIP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-117873
C=C/C=C(C=C(C(C(C)C)(OC(CC)C)OC)/CC)/Cc1cc2-c(c1)ccccc2	PC-id_143166141	406.6	VHBOXEJTNJXSJD-OZNCFPRWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-117874
C(c1c2-c(c(C(c3ccccc3)c3ccccc3)c1)ccc(C(C)(C)C)cc2)(C)(C)C	PC-id_15213364	406.602	WNCIBPDXPQKFBP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-117875
CCOC(=O)CCCCCCNC1C(=C(C=C)SN(c2c1scc2)C)C=C	PC-id_144921783	406.605	YIHQIQUUSWYGEJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-117876
s1c2c(CCCCC2)c(c1NC(=S)NCCC1=CCCCC1)C(=O)OCC	PC-id_19650289	406.605	VMWUXSQWEZUEFF-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117877
s1c2c(CCCCCC2)c(c1NC(=S)NCCC1=CCCCC1)C(=O)OC	PC-id_19650285	406.605	SBXKKRXCKRTDNV-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-117878
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC)(CC)C#C)C(=O)OCC	PC-id_19711766	406.605	QRGPMTVXFMZBPL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117879
S=C(NC(C1C2CC(C1)CC2)C)Nc1sc2c(c1C(=O)OC)CCCCC2	PC-id_19651506	406.605	GYXFQCFZUHYNKQ-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-117880
s1c2c(CCCCCC2)c(c1NC(=O)CCCCCCCCCCC)C(=O)N	PC-id_4178780	406.625	ZEZGMMCBEPALHE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117881
s1c2c(CCCCCCCCCC2)c(c1NC(=O)CC(C)C)C(=O)NC(C)C	PC-id_24047167	406.625	XFUGJMLPQNFVLU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117882
CCC[C@@H]1CC[C@H](CC1)N(C(=O)Nc1nc2c(s1)CCN(CC2)C)CC(C)C	SCHEMBL12307366	406.628	OYMOLDAVWLQODL-IYARVYRRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117883
s1c(NC(=O)N(C2CCC(CC2)CCC)CC(C)C)nc2c1CCN(CC2)C	PC-id_58441050	406.628	OYMOLDAVWLQODL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117884
CCSC1CCCC(C1)NC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_112084127	406.632	LDIAAATWEBOESU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117885
C/C=C(C=C/1N(C)CCc2c(C1C)oc(c2)C(=O)Nc1c(F)cccc1Cl)/F	PC-id_142511673	406.853	NBWSFQBHEHIKLL-XXZCJJBSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117886
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)c(F)cc1	PC-id_28005169	406.858	DWDPYWDSXLBBHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117887
Clc1cc(F)c(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_28006231	406.858	GMYHUONIAVMIIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117888
Clc1c(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc(F)c1	PC-id_41977256	406.858	CVGGYSZSWOVUGN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117889
N#Cc1c(NC(=O)COC(=O)c2c(F)cccc2Cl)sc2c1CCCCC2	MCULE-4619491433,CoCoCo_3040058,PC-id_2428710,ZINC22_3312912,EMOLS-id_3095214	406.858	QTITVGINEFHYGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117890
Clc1ccc(CN(C(=O)Cn2nc3n(CCCCC3)c2=O)CC(=O)OC)cc1	PC-id_55802821	406.863	JPGIHHWNHVINDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117891
Clc1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OC)cc1	PC-id_7521904	406.883	DNHOGYFBHXGITF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117892
Clc1ccc(C(=O)NNC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_7351993	406.883	QPPOXAWYEIBJER-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117893
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OC)ccc1	PC-id_7521906	406.883	KSZOQXFTTVREDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117894
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OC)cccc1	PC-id_7521905	406.883	OTWANRCRYFDOGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117895
Clc1cc(ncc1)C(=O)NCC(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_9163644	406.886	ZOUVVKZIZHAYAL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-117896
Clc1n(nc(c1C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N)C)C	PC-id_26060839	406.886	TVNKEYRZSPPRDK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-117897
c1(NC(=O)C=Cc2c(cccc2F)Cl)sc2c(CCCCCC2)c1C(=O)N	MCULE-1453139513,PC-id_2862482	406.901	WKPXXRONOOXFBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117898
NC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc2c1CCCCCC2	CoCoCo_683099,GD-id_ZINC02081705,ZINC22_2081705,EMOLS-id_25875039,SPECS-id_AK-968/11986619,PC-id_1741002	406.901	WKPXXRONOOXFBG-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117899
O=C(Nc1sc2c(c1C(=O)N)CCCCCC2)/C=Cc1c(F)cccc1Cl	CoCoCo_683100	406.901	WKPXXRONOOXFBG-KHPPLWFESA-N	00000000100000110100000000000010000000000000000000000000	31-01-117900
Clc1c(Cn2nc(c(c2C)C=C(c2n3CCCCCc3nn2)C#N)C)cccc1	MCULE-5991716119,PC-id_78650353,EMOLS-id_301142500	406.911	OVVAMFUAQLYBLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117901
Clc1c(Cn2nc(c(c2C)/C=C(/c2n3CCCCCc3nn2)C#N)C)cccc1	PC-id_8275419	406.911	OVVAMFUAQLYBLN-LDADJPATSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117902
Clc1n(nc(c1C=C(c1n2CCCCCc2nn1)C#N)C)Cc1ccc(cc1)C	PC-id_84857130	406.911	XLKJIDOZIJCLRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117903
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)Cc1ccc(cc1)C	PC-id_8863139	406.911	XLKJIDOZIJCLRC-LDADJPATSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117904
Clc1cc(C2(O)CCN(CC2)CCCc2n3CCCCCc3nn2)ccc1F	SCHEMBL7957371,PC-id_59939362	406.925	BDNZMYUECKSZDE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-117905
Clc1ccc(c(c1)F)C1(O)CCN(CC1)CCCc1nnc2n1CCCCC2	SCHEMBL7963844,PC-id_15521161	406.925	ZURYMVSWKCRTHH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-117906
Clc1c(C[NH+](CC(=O)Nc2sc3c(CCCCC3)c2C#N)C)c(F)ccc1	PC-id_2699444	406.925	JRJPOALJIXYCCF-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-117907
Clc1c(F)cc(C2(O)CCN(CC2)CCCc2n3CCCCCc3nn2)cc1	SCHEMBL7959210,PC-id_15521162	406.925	RTYSEQCDPAWXJN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-117908
c1(NC(=O)C(C)(C)Oc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_2519321,CoCoCo_571762,ZINC22_4811212,PC-id_2981643,MCULE-4568469962	406.926	VMUVQXSWFQABAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117909
c1(NC(=O)C(C)Oc2ccc(cc2C)Cl)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_2195700,PC-id_2930939,MCULE-6817449528,SPECS-id_AK-968/13031057	406.926	OZWWKUJFEBVCTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117910
c1(NC(=O)C(C)Oc2cc(C)ccc2Cl)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_4086042,PC-id_4512256,MCULE-2076554106,TIMTEC535933	406.926	WVRCGQINIIGYPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117911
c1(NC(=O)C(C)Oc2cccc(Cl)c2)sc2c(CCCCCC2)c1C(=O)N	SPECS-id_AK-968/12384234,EMOLS-id_5406406,MCULE-6917249644,TIMTEC505493,PC-id_4601370	406.926	VNPYAIBNSJFNTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117912
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)sc2c(CCCCC2)c1C(=O)N	MCULE-9176606856,SPECS-id_AN-153/I212428,CoCoCo_979159,EMOLS-id_1772198,ZINC22_5014059,ChEMBL-DNDi_CHEMBL7745254,PC-id_2951389	406.926	LRNLWVAPZVXQOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117913
c1(NC(=O)Nc2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_4427272,CoCoCo_6786147,ZINC22_2737091,MCULE-3672545059,TIMTEC60427,EMOLS-id_4086046	406.926	ARKTUBRWMHXFEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117914
Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1	PC-id_40647459,CoCoCo_6620661,ZINC22_6844607	406.926	WVRCGQINIIGYPR-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117915
Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1	ZINC22_6844625,PC-id_40647472,CoCoCo_6620662	406.926	WVRCGQINIIGYPR-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117916
Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c(Cl)c1	ZINC22_32125411,PC-id_20166092	406.926	GQSCAOXFABHNPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117917
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_1011053,ZINC22_671526,CoCoCo_896177	406.926	OZWWKUJFEBVCTQ-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117918
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_671525,CoCoCo_896176,PC-id_1011054	406.926	OZWWKUJFEBVCTQ-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117919
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(=O)N)CCCCCC2	PC-id_1008640,ZINC22_668333,CoCoCo_5819423	406.926	VNPYAIBNSJFNTB-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117920
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(=O)N)CCCCCC2	ZINC22_668334,PC-id_1008639,CoCoCo_5819422	406.926	VNPYAIBNSJFNTB-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117921
Clc1ccc(c(c1)C)OCC(=O)Nc1sc2c(c1C(=O)N)CCCCCC2	CoCoCo_6920678,PC-id_1009441	406.926	QHPZVGYHGKLMOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117922
Clc1ccc(C(=O)c2c3CCN(CCc3sc2N)C(=O)OC(C)(C)C)cc1	PC-id_70686537	406.926	DOWBLLFZRQSUKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117923
Clc1ccc(NC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cc1	PC-id_3348229	406.926	QIWRSRFTQGJJBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117924
Clc1ccc(NC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cc1	PC-id_4324673	406.926	NEWHLBGQXLXVHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117925
Clc1ccc(NC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_3678844	406.926	CEJMSFIJWMWJRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117926
Clc1cc(NC(=O)CN(C(=O)c2sc3CCCCCc3c2)C)c(OC)cc1	PC-id_9426146	406.926	VPVFJRQOWOXMJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117927
Clc1cc(NC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)ccc1	PC-id_4458669	406.926	XFSYZKNLCPKVTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117928
Clc1cc(NC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1	PC-id_3632932	406.926	XDYDMGICJGRJJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117929
COC(=O)c1c(NC(=O)CNCc2ccccc2Cl)sc2c1CCCCC2	ZINC22_58450234,PC-id_2161433,MCULE-8473069733,CoCoCo_3683690	406.926	AIZUFSQJWIXJFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117930
CN=C(NCC(c1ccc(cc1Cl)F)(C)C)NCc1nnc2n1CCCCC2	PC-id_111569025	406.928	VBQAFVNWUCVEDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117931
c1(c2CCCCCCc2sc1NC(=O)c1c(Cl)cnn1C)C(=O)NC1CC1	EMOLS-id_4086056,MCULE-1069881021,PC-id_17373060,ZINC22_6790347,CoCoCo_6808429,TIMTEC133562	406.93	DUTKTFAKXXKEAH-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-117932
CC(C)CNC(=O)c1nc2CCN(CCc2s1)C(=O)Nc1cccc(Cl)c1	ZINC22_96146980,EMOLS-id_44303928,PC-id_97442504	406.93	ILDBJXQRQNFPOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117933
CCN(C(=O)c1nc2c(s1)CCN(CC2)C(=O)Nc1cccc(c1)Cl)CC	PC-id_97442575	406.93	PCRLCYJVCLEQHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117934
O=C(OC(C)(C)C)NCc1ccc(cc1Cl)CN1CCCCc2c1ccs2	PC-id_142659396	406.969	KBNTXPONGHRWPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117935
CCNC(=NCc1nnc2n1CCCCC2)NCCSc1ccc(cc1)Cl	PC-id_111371899	406.976	WLKVSQQVOCWYQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117936
CN=C(NCCc1nnc2n1CCCCC2)NCCSc1ccc(cc1)Cl	PC-id_111371939	406.976	VJKRGYXRVVFUDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117937
Brc1cc2c(noc2c(=O)c(Br)c1)/C=C/c1ccccc1	PC-id_14415382	407.056	XRSSWBAOWOFOPC-VOTSOKGWSA-N	00000000100000110111000000000010000000000000000000000000	31-01-117938
Brc1cc2c(noc2c(=O)c(Br)c1)C=Cc1ccccc1	PC-id_72731142	407.056	XRSSWBAOWOFOPC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-117939
C[C@H]1c2nnc(n2C(=C(CO1)/C(=C(S)/Br)/CC1CC=CC=C1)C)C	PC-id_163553963	407.067	FLKYXRJJZNSZNC-AQMZHXHLSA-N	00000000100011000111000000000010000000000000000000000000	31-01-117940
CC(=C1C=Cc2c(n(cc2S(=N)(=O)N1)C)C(=O)Nc1cc(ncc1)C(F)F)C	PC-id_163697496	407.123	JYDSRSGOXUCKPK-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-117941
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=C(CC3)SC(=N4)NC5=CC=CC=N5	PC-id_154685667	407.124	NHKOXLVEMQQQMS-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-117942
Brc1c(Cl)c(OC2CCN(Cc3sc(Cl)cc23)C)ccc1	PC-id_68411778	407.153	QFUJBMFYBHLFKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117943
Brc1n(c2NC(=O)C(NC(=O)c2n1)C(=O)OCC)Cc1ccccc1	PC-id_10409100	407.219	FOVGHVYVGXBRKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117944
O=C(CN1CCCn2c(C1=O)cc(n2)C(=O)O)Nc1ccc(cc1)Br	PC-id_112707330	407.219	YUQKONAQEWIACK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117945
O=C(CN1CCCn2c(C1=O)cc(n2)C(=O)O)Nc1cccc(c1)Br	PC-id_112707341	407.219	BQMZTWMWYBRFFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117946
O=C(Nc1ccccc1Br)CN1CCCn2c(C1=O)cc(n2)C(=O)O	PC-id_112707433	407.219	IRFPPNOGPUYPBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117947
CC(C)n1c2c(CCCN(CCCC2O)C(=O)c2ccc(cc2)c2ncc[nH]2)cn1	PC-id_164078170	407.232	WVHKMLNGQHVQDF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-117948
Brc1c2-c(cc1P(=O)(c1ccccc1)c1ccccc1)ccccc2	PC-id_102277159,CT-id_4083662,4083662_OpenMolecule	407.24	HXIOPYUHXVVWAU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-117949
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3CCCOC3	PC-id_155203705	407.242	YARCAFUOJOIWSV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117950
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3CCOCC3	PC-id_155203874	407.242	QALPZNKUROFQGL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-117951
CCC1=NN(C2=C1C(=O)NCCCOCCC2)C[C@@H](C)COC(=O)C3CCOC3	PC-id_155203629	407.242	BOJDCZMNZSLZGH-AAFJCEBUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-117952
CCOC(=O)/C=C/C1=Cc2cocc2C=C(C1)/C=C(/C(=O)OCC)Br	PC-id_102284273	407.255	LOLGRQDTJSEVPC-HEPOHYLWSA-N	00000000100000000110000000000010000000000000000000000000	31-01-117953
CCOC(=O)c1cc(Br)cc(CCn2cnc3c2NC=NCC3O)c1	CHEMBL38038,PC-id_10669106,BindingDB_PC-id_10669106	407.262	OWJOJVWEMKSJLX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-117954
COC(=O)C(CNC(=O)c1cc2c(s1)CCCCC2)I	PC-id_103493373	407.267	OGSDFYVJRFFRCK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117955
Brc1cc(/C=C/C(=O)NCCc2n3CCCCCc3nn2)c(F)cc1	PC-id_55553442	407.28	OQEGJHZKLNJJNG-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117956
Brc1cc(C=CC(=O)NCCc2n3CCCCCc3nn2)c(F)cc1	PC-id_76245425	407.28	OQEGJHZKLNJJNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117957
CC(C)COc1cc(c(cc1Cn1c2c(C=C(CC=C2)C(=O)O)cn1)Cl)Cl	SCHEMBL20629068,PC-id_137397591	407.29	OAZVJCQSMWNIAL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-117958
C1CCc2c(CC1)sc(c2C(=O)O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F	SCHEMBL20541769,PC-id_135363019	407.304	SMDGGZZLIHPLMI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-117959
Brc1ccc(CC(NC(=O)Cn2nc3n(CCCCC3)c2=O)C)cc1	PC-id_55717195	407.305	IMZPGRXZUFCJEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117960
Brc1ccc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)(C)C)cc1	PC-id_55689853	407.305	LZAANBMKEGXJSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117961
Brc1cc(OCCC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55553979	407.305	XLCFGPSOMAIRPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117962
C1CN(Cc2cncn2C1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16100574,PC-id_86345473	407.31	ONKHDGNDVIGKDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117963
O=C(N1CCCn2c(C1)ccn2)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_144720863	407.31	AAJAZTKPEZYTBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117964
Brc1ccc(C(=O)[C@@H](OC(=O)c2sc3CCCCCc3c2)C)cc1	PC-id_7352030	407.321	BGTLXAWBEBJIMH-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117965
Brc1ccc(C(=O)[C@H](OC(=O)c2sc3CCCCCc3c2)C)cc1	PC-id_7352031	407.321	BGTLXAWBEBJIMH-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117966
Brc1ccc(C(=O)C(OC(=O)c2sc3CCCCCc3c2)C)cc1	PC-id_78474827	407.321	BGTLXAWBEBJIMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117967
Brc1ccc(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_52894711	407.325	NXRYABODZVLKRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117968
Brc1ccc(CC(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_9301251	407.325	ICCOUEGBKJBCEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117969
Brc1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)cc1	PC-id_7475056	407.325	DYIPSUKEHCCIGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117970
Brc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)ccc1	PC-id_7475057	407.325	LUVVULKJSGJMDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117971
Brc1cc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)ccc1	PC-id_4289327	407.325	DOKRIQAWXVXDLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117972
Brc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)cccc1	PC-id_7475058,GD-id_ZINC05055763	407.325	SMBHBHRBHXFMJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117973
Brc1c(C(=O)NNC(=O)c2sc3CCCCCCc3c2)cccc1	PC-id_8140739,GD-id_ZINC06993246	407.325	OPQBFBXKDVHDMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117974
c1(NC(=O)c2ccc(cc2)Br)sc2c(CCCCCC2)c1C(=O)N	PC-id_1219761,EMOLS-id_2369394,ZINC22_994631,ChEMBL-DNDi_CHEMBL5704991,CoCoCo_685082,SPECS-id_AK-968/11841212,MCULE-6661731668	407.325	DYSVNSFMBZAYMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117975
c1(NC(=O)c2ccccc2Br)sc2c(CCCCCC2)c1C(=O)N	TIMTEC320525,PC-id_1294286,MCULE-3718091981,CoCoCo_907944,ZINC22_1116784,EMOLS-id_2446646	407.325	MVFFDQPQJAOWFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117976
OC1C(O)C(O)C(O)C(=c2n(c(=O)oc2=C(O)C(O)C(O)C1O)C(=O)CC)O	PC-id_57148884	407.327	XHHQLZFILLKPGM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-117977
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(cc([N+](=O)[O-])cc1)C#N	PC-id_19523843	407.347	HWURCBYJUROURZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117978
Brc1ccc2cc(sc2c1)C(=O)Nc1nc2CCCCCc2s1	MCULE-1211825128,EMOLS-id_323381578	407.348	BZNSFSHDGYNKBD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-117979
Brc1ccc2sc(cc2c1)C(=O)Nc1nc2CCCCCc2s1	MCULE-3547949255,EMOLS-id_323396420	407.348	VOEAXOLCMWLTGQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-117980
s1c2CCCCCc2cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_7926582	407.373	ITXMHDAAGNWSPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117981
Clc1c(C2CCN(CC2)CCCc2onc3c2CCCCC3)cccc1Cl	PC-id_59939415,SCHEMBL7964142	407.377	ZVPJNYVDQITVIX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-117982
Clc1c(C2CCN(CC2)CCCc2n3CCCCCc3nn2)cccc1Cl	SCHEMBL7959422,PC-id_59939372	407.38	AWOMPOUSWVFGMS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-117983
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1ccc(cc1)OC(F)(F)F	PC-id_90625622	407.388	YREOLSYYGRDQEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117984
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1ccccc1OC(F)(F)F	PC-id_90625679	407.388	CITROMDHYGYDBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117985
c1(cn2c(CCN(CC2)C(=O)c2ccncc2F)n1)C(=O)N1CCC(CC1)(F)F	MCULE-3236317566,EMOLS-id_331091983,ZINC22_1875240947	407.39	KNZCQBZYFIWKMK-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-117986
Fc1ccc(F)c(CC(=O)N2CCc3nnc(CNC(=O)C4CC4)n3CC2)c1F	MCULE-7682051138,PC-id_42214161,EMOLS-id_20392356,CoCoCo_1121644,ZINC22_11842144	407.39	AJKXMYVPHSEGCU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-117987
FC(F)(F)CN(C(=O)Cn1nc2n(CCCCC2)c1=O)Cc1ccc(cc1)C#N	PC-id_55993811	407.39	HLZTUSIWGADHNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-117988
Cc1cccc2-c(c(c(c2C(=O)O)OC)C=C2c3c(ccc(c3)F)NC2=O)c1OC	SCHEMBL3284113,PC-id_87504701	407.391	FRGBLAXAWUMZPP-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-117989
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1cc(ccc1)C(=O)[O-])[N+](=O)[O-]	PC-id_89579975,SCHEMBL14965511	407.399	RCLWXVURLDQIRU-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-117990
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1ccc(cc1)C(=O)[O-])[N+](=O)[O-]	PC-id_89580173,SCHEMBL14965786	407.399	FYIPGXIJFAKLTE-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-117991
c1ccc(c(c1)/C=C
/c2c(C=NNC1=O)sc(n2)Nc1cc(ccc1)[N+](=O)[O-])O	PC-id_135829276	407.403	GGRCGHZHNPEEHW-ZSOIEALJSA-N	00000000100000110111000000000010000000000000000000000000	31-01-117992
s1c2=CNNC(=O)C(=c2nc1Nc1cc([N+](=O)[O-])ccc1)/C=C
/C(=O)C=CC=C1	PC-id_16742431	407.403	PZDPMTXAOQETRL-DHZHZOJOSA-N	00000000100011110111000000000010000000000000000000000000	31-01-117993
N/C=CN(Cc1nc2c(n1CC)CC=C(C=C2)C(F)(F)F)Cc1ncccc1F	PC-id_142149685	407.408	OXDSLMCNURPVJN-LUAWRHEFSA-N	00000000100000101111000000000010000000000000000000000000	31-01-117994
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1)C#N	PC-id_76333067	407.409	CBBYGXIYSDTEIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117995
Cc1c(c(c(cc1)F)C(=O)c1c2-c(cccc(c2)C(=CN=C(N=C)OC)C)nc1)F	PC-id_137157441	407.413	PXKBSDNEDZXOEB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-117996
s1c2c(CCCCC2)c(c1NC(=O)COc1cc(F)c([N+](=O)[O-])cc1)C(=O)N	PC-id_56187405	407.416	FVLSPIOSNPBILK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-117997
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CCC(C1)(F)F	SCHEMBL18367044	407.418	ZGGHRZVXDKBSGF-ABLWVSNPSA-N	00000010100000000101000000000010000000000000000000000000	31-01-117998
CCOC(=O)c1c(c(c2-c1ccc(cc2)[N+](=O)[O-])C=Nc1ccc(cc1)N(C)C)O	PC-id_136814872	407.419	ZBUSFFOSOIHSQF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-117999
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1ccc(cc1)C(=O)N)[N+](=O)[O-]	SCHEMBL14971065,PC-id_89584349	407.423	GKPUVNYIFIYENF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118000
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)Nc1ccccc1)[N+](=O)[O-]	SCHEMBL14965777,PC-id_89580167	407.423	NUMKHZCQQVDQRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118001
O=C1C(CCn2c(N1C)cc(n2)C(=O)C)NC(=O)c1ncn(n1)Cc1ccccc1	PC-id_140764770	407.426	AYSWMJYQVANJAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118002
O=C1[C@H](CCn2c(N1C)cc(n2)C(=O)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366658	407.426	AYSWMJYQVANJAD-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118003
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3ccccc3C(F)(F)F)CCn12	EMOLS-id_20448273,MCULE-1969980020,PC-id_45181561	407.433	WYAZPOXONVQNSY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-118004
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3cccc(c3)C(F)(F)F)CCn12	EMOLS-id_20449247,ChEMBL-DNDi_CHEMBL18867182,MCULE-8176391046,PC-id_45181787	407.433	WHXRCAVIDMNPBX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-118005
C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2	ZINC22_20201539,CoCoCo_1197892,CoCoCo_1197893	407.433	WYAZPOXONVQNSY-CYBMUJFWSA-N	00100000100000110101000000000010000000000000000000000000	31-01-118006
C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2	ZINC22_20201541,CoCoCo_1197894,CoCoCo_1197895	407.433	WYAZPOXONVQNSY-ZDUSSCGKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-118007
C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	CoCoCo_1199238,CoCoCo_1199237,PC-id_28730772,ZINC22_20202034	407.433	WHXRCAVIDMNPBX-CYBMUJFWSA-N	00100000100000110101000000000010000000000000000000000000	31-01-118008
C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	CoCoCo_1199240,ZINC22_20202037,CoCoCo_1199239,PC-id_28730775	407.433	WHXRCAVIDMNPBX-ZDUSSCGKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-118009
FC(F)(F)c1ccc(cc1)C(=O)N1CCCn2c(CN3CCCCC3)nnc2C1	ZINC22_96259687,EMOLS-id_44370918,PC-id_97519769	407.433	URKOHZUGDYYPGI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118010
FC(F)(F)c1ccc(cc1)C(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	ZINC22_96259591,PC-id_97519673,EMOLS-id_44370730	407.433	MHUIKZQBIRGUSP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118011
O=C(c1cccc(c1)C(F)(F)F)N1CCCn2c(C1)c(nn2)CN1CCCCC1	PC-id_97519672	407.433	DVKJQVGWDQAGCG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118012
O=C(c1cccc(c1)C(F)(F)F)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97519768	407.433	YDKNYBNXRQSTEH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118013
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(F)c(F)cc1	PC-id_60550785	407.434	LNXUVZLZUQWBLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118014
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1c(F)cc(F)cc1	PC-id_43039913	407.434	VEZIXIGOQUAISW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118015
Fc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)C)cc(c1)c1ccccc1	SCHEMBL16129849,PC-id_117616652	407.437	NZPFKPWGGTUOMZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118016
CCCCOc1cc(ccc2-c1ccc2CC(=O)N)CP(=O)(OCC)OCC	SCHEMBL8335433,PC-id_57077872	407.44	IMVWOLFBGREWHQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118017
CCc1ccc(cn1)C(=O)N1CCCn2ncc(C(=O)Nc3cccc(F)c3)c2C1	ZINC22_1565556717,EMOLS-id_313763532	407.441	SCRGVQUNCIZMFM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118018
COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)c([N+](=O)[O-])c(OC)c1OC	ZINC22_12829153,PC-id_25541317,CoCoCo_4546226,MCULE-7351269709,EMOLS-id_24134306	407.441	ZPMHQXBPEACHOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118019
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)CCC1=O)C(=O)NC(=O)OC	PC-id_7521895	407.441	FGGVTHQHHRCUMF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-118020
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)N(CC)C(=O)C1=O)C(=O)OC	PC-id_7824009	407.441	OGXUYBRYBWRLTR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-118021
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C1=NNC(=O)CC1)C(=O)OC	PC-id_4270766	407.441	WRAFLNMCSIJRHU-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-118022
S(=O)(=O)(c1cc(C(=O)NCCc2n3CCCCCc3nn2)cc([N+](=O)[O-])c1)C	PC-id_47882476	407.444	UPXLRUQULKNWDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118023
PC/C=CC(=C/C=C)C1CCCc2c(C(=O)C1)c(c[nH]2)C(=O)Nc1ccccn1	PC-id_142202608	407.445	BTPHCZKJFMFYKD-ATPUMGGESA-N	00000000100000101100000000000010000000000000000000000000	31-01-118024
CCOC(=O)CC(C(F)(F)F)c1sc2c(c1)C(C)CN(CC2)C(=O)OCC	PC-id_70793650,SCHEMBL12886907	407.448	DPQYJRQOVFICKI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118025
FC(F)Oc1ccc(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)cc1	PC-id_7566134	407.457	RHWJJLMJNQQMIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118026
c12cc(C(=O)OCC)c(=O)c(C(=O)OCC)cc1c(n(Cc1ccccc1)c2C)C	PC-id_1080819,CoCoCo_855648,ZINC22_795542,EMOLS-id_2424302,MCULE-4962651907	407.459	ROXWSOILHDISHZ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-118027
C[C@@H]([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)CNc1ccc(c(c1)C)F)C)O	PC-id_139471105,SCHEMBL21337101	407.459	HIUNPTCPLUHHSK-BLLLJJGKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-118028
Fc1ccc(cc1)Cc1cc(n2c1CC=CC=C2)C(=O)C(=O)Nc1snc(c1)C	PC-id_142942793	407.461	SLMOVXLDHCUPQC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-118029
O=C1N(CC(Cn2c1cc(c2)C(=O)CO)(C)C)Cc1c(noc1C)c1ccccc1	PC-id_58465689	407.462	QEBKRUXKZAONDB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118030
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc4c(CCO4)c3)CCn12	PC-id_45185903,EMOLS-id_20466849,ChEMBL-DNDi_CHEMBL21741425,MCULE-1729106243	407.466	FMIBJLHHPKLYGD-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-118031
Cc1cccc(c1)c1ocnc1C(=O)N1CCn2c(CC1)c(nc2C)C(=O)N(C)C	MCULE-8611165776,EMOLS-id_239589802	407.466	BKPXGEIPBMTRQS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118032
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2	CoCoCo_1223764,CoCoCo_1223763,ZINC22_11783705	407.466	FMIBJLHHPKLYGD-OAHLLOKOSA-N	00000010101000100101000000001010000000000000000000000000	31-01-118033
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2	ZINC22_11783706,CoCoCo_1223765,CoCoCo_1223766	407.466	FMIBJLHHPKLYGD-HNNXBMFYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-118034
COc1ccccc1C(=O)NCc1nnc2CCN(Cc3ccccc3O)CCn12	MCULE-2048228228,EMOLS-id_20458061,ZINC22_14885730,PC-id_26280465,CoCoCo_1211502,CoCoCo_1211501	407.466	RDHFLBMOXBGFKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118035
COc1ccc(C)cc1[C@@H](C(=O)O)N1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_1506424310	407.466	KMNIDSLZIWVCKF-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118036
COc1ccc(C)cc1[C@H](C(=O)O)N1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_1506424313	407.466	KMNIDSLZIWVCKF-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118037
COc1ccc(C)cc1C(N1CCc2nnc(Cc3cccnc3)n2CC1)C(=O)O	EMOLS-id_316230232,MCULE-1632547890	407.466	KMNIDSLZIWVCKF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118038
COc1ccc(CNC(=O)C2CCc3nn(Cc4ccncc4)c(=O)n3CC2)cc1	EMOLS-id_207877080,MCULE-9025467681	407.466	XOKRIZDBISUNGS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118039
COc1cccc(NC(=O)CC2CCc3nn(Cc4cccnc4)c(=O)n3CC2)c1	MCULE-7090842730,EMOLS-id_207877215	407.466	HONVFCDLEIXCSB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118040
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)C2(C#N)CCCC2)CCC3)cc1	ZINC22_1565556530,EMOLS-id_313763529	407.466	MSFDRCKMUYWQOP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-118041
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)CCc2ccc[nH]2)CCC3)cc1	EMOLS-id_313763785,ZINC22_1565556053	407.466	LRGVEANGAYINTJ-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-118042
n12CCN(CCc1nnc2CCNC(=O)c1ccco1)Cc1ccc2c(CCO2)c1	MCULE-9550416301,ZINC22_12028520,EMOLS-id_232744204,PC-id_42361951	407.466	WFMGINFTTYEKCZ-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-118043
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)Cc1ccc2c(CCO2)c1	CoCoCo_1364129,PC-id_31015787,ZINC22_23337579,CoCoCo_1364130,MCULE-4817772210,EMOLS-id_20563901	407.466	ABJYFCPMRRZHIC-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-118044
O=C1CC/C=CCCN(C(=O)c2oc(N1CCc1cn(c3c1cccc3)C)nn2)C	PC-id_101403025	407.466	ZUWRZPKKRNKHRU-ARJAWSKDSA-N	00000000100000100111000001100010000000000000000000000000	31-01-118045
O=C1[C@H](CCn2c(N1C)cc(n2)C)C(=C)C(=O)c1ncc2c(n1)C1(CCCC1)OC2	SCHEMBL19659862	407.466	MYLPNMZOMRJFBI-MRXNPFEDSA-N	00000010100000100101000000000010000000000000000000000000	31-01-118046
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(Oc2cc(c(cc2)C)C)nc1	PC-id_55971752	407.466	MDXAHRGZBJRXSZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118047
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(Cn2c(=O)cccc2)cc1	PC-id_56040566	407.466	ZRWMWBVHYZSOLE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118048
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(OCc2cccnc2)cc1	PC-id_55712998	407.466	FYUJTRAHUKLJQB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118049
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(OCc2ncccc2)cc1	PC-id_55901380	407.466	IASYKJCIQNTELQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118050
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(OCc2ccccc2)ncc1	PC-id_55715978	407.466	DGYHANDGFNSAFZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118051
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(OCc2ncccc2)ccc1	PC-id_55714367	407.466	JNRSWNOWMJZGGB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118052
O=C1N(c2c([nH]c(c2)C(=O)O)[C@H](N[C@H]1Cc1[nH]cnc1)C(C)C)Cc1ccccc1	PC-id_53342637	407.466	OQUSKZPWJIFESS-QFBILLFUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118053
O=C1N(c2c([nH]c(c2)C(=O)O)[C@@H](N[C@H]1Cc1[nH]cnc1)C(C)C)Cc1ccccc1	PC-id_53343008	407.466	OQUSKZPWJIFESS-LPHOPBHVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118054
O=C1N(c2c([nH]c(c2)C(=O)O)C(NC1Cc1[nH]cnc1)C(C)C)Cc1ccccc1	PC-id_76016768	407.466	OQUSKZPWJIFESS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118055
O=C(C1CCc2n(CC1)c(=O)n(n2)CCOc1ccccc1)NCc1ccccn1	EMOLS-id_207876608,MCULE-9148278765	407.466	UQBJIEVCESZVQV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118056
O=C1NC(=O)N(C(N)C1N(C(=O)Cn1nc2n(CCCCC2)c1=O)C)CCCC	PC-id_76247042	407.467	KGNCMOVWHFRASO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118057
CC(C)Cc1cc(C(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)nc(O)n1	MCULE-4808689421,EMOLS-id_316274011,ZINC22_1506427548	407.469	KREXUWCVBWPCAT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-118058
Cn1nc2CCC(Cn2c1=O)C(=O)N1CCc2nc(Cc3ccccc3)nn2CC1	EMOLS-id_337791354,MCULE-6460953598	407.469	JLUASYSLFHOJOV-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-118059
Cn1nc2n(c1=O)C[C@@H](C(=O)N1CCc3nc(Cc4ccccc4)nn3CC1)CC2	ZINC22_2356163578	407.469	JLUASYSLFHOJOV-INIZCTEOSA-N	00000000100010110101000000010010000000000000000000000000	31-01-118060
Cn1nc2n(c1=O)C[C@H](C(=O)N1CCc3nc(Cc4ccccc4)nn3CC1)CC2	ZINC22_2356163579	407.469	JLUASYSLFHOJOV-MRXNPFEDSA-N	00000000100010110101000000010010000000000000000000000000	31-01-118061
O=C1C(CCn2c(N1C)cc(n2)C(C)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366762	407.469	ZRCPINWGRLVVKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118062
O=C1[C@H](CCn2c(N1C)cc(n2)C(C)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366758	407.469	ZRCPINWGRLVVKP-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118063
CCC(C(=O)Nc1nc2c(s1)CCCCC2)NC(=O)Cc1cc(F)cc(c1)F	PC-id_10024371,SCHEMBL5875532	407.477	LDKWNNMWSLWBRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118064
CC[C@@H](C(=O)Nc1nc2c(s1)CCCCC2)NC(=O)Cc1cc(F)cc(c1)F	SCHEMBL8258666,PC-id_60106832	407.477	LDKWNNMWSLWBRB-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118065
s1c2CCCCCCc2nc1NC(=O)CCCNC(=O)c1c(F)cc(F)cc1	PC-id_56022110	407.477	UPQMPUFXTKDEMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118066
C1CN(CCc2c1nc(o2)C(=O)NCc1cc(ccc1)F)CCCc1ccccc1	PC-id_134806889	407.481	GRLZXFSSXFAZMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118067
c1(NC(=O)C2C3CCC(O3)C2C(=O)O)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_4086668,TIMTEC182069,PC-id_3450295,MCULE-5503873278,SPECS-id_AK-968/15605493,BindingDB_PC-id_3450295,CHEMBL1559236,BindingDB-id_113265,ChEMBL-DNDi_CHEMBL1559236	407.481	GWXPNBDKQUNSRF-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-118068
COC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)O3)sc2c1CCCCCC2	CoCoCo_5830350	407.481	GWXPNBDKQUNSRF-GUYJKWIASA-N	00000010100010000100000000000110000000000000000000000000	31-01-118069
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)O3)sc2c1CCCCCC2	CoCoCo_5830351	407.481	GWXPNBDKQUNSRF-SHUKQUCYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-118070
COC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)O3)sc2c1CCCCCC2	CoCoCo_5830353	407.481	GWXPNBDKQUNSRF-NOXHYTERSA-N	00000010100010000100000000000110000000000000000000000000	31-01-118071
COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)O3)sc2c1CCCCCC2	CoCoCo_5830354	407.481	GWXPNBDKQUNSRF-UAXWRAGISA-N	00000010100010000100000000000110000000000000000000000000	31-01-118072
COC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2	CoCoCo_5830347,ZINC22_4646348,PC-id_11895564	407.481	GWXPNBDKQUNSRF-KOZAUXTDSA-N	00000010100010000100000000000110000000000000000000000000	31-01-118073
COC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2	CoCoCo_5830348,ZINC22_4646349,PC-id_11895566	407.481	GWXPNBDKQUNSRF-KNPMLCFXSA-N	00000010100010000100000000000110000000000000000000000000	31-01-118074
COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2	CoCoCo_5830352,PC-id_20024436,ZINC22_13144953	407.481	GWXPNBDKQUNSRF-OJDYBEQGSA-N	00000010100010000100000000000110000000000000000000000000	31-01-118075
COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_100507651,PC-id_98118218	407.481	GWXPNBDKQUNSRF-RKLWJJNISA-N	00000010100010000100000000000110000000000000000000000000	31-01-118076
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_100507654,PC-id_98118219	407.481	GWXPNBDKQUNSRF-APYUEPQZSA-N	00000010100010000100000000000110000000000000000000000000	31-01-118077
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_13144954,PC-id_20024438,CoCoCo_5830349	407.481	GWXPNBDKQUNSRF-VZAMPYOESA-N	00000010100010000100000000000110000000000000000000000000	31-01-118078
COC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_169297951,PC-id_99720169	407.481	GWXPNBDKQUNSRF-BHTHQVBYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-118079
COC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_169297952,PC-id_99720170	407.481	GWXPNBDKQUNSRF-MPTQWLOMSA-N	00000010100010000100000000000110000000000000000000000000	31-01-118080
COC(=O)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCCC2	ZINC22_169689768	407.481	GWXPNBDKQUNSRF-CZPYZCIJSA-N	00000010100010000100000000000110000000000000000000000000	31-01-118081
COC(=O)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCCC2	ZINC22_239073294	407.481	GWXPNBDKQUNSRF-AVRGHOLYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-118082
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1n(ccn1)C(F)F)C)C#N	PC-id_78895960	407.481	IYHNVCOYNVCNAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118083
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3ccc(cc3)F)CCn12	EMOLS-id_232720842,PC-id_45166181,ChEMBL-DNDi_CHEMBL23653727,MCULE-6618115242	407.484	JVHHMMFMHPCJBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118084
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3ccccc3F)CCn12	MCULE-4700000459,ChEMBL-DNDi_CHEMBL20604063,EMOLS-id_232716599,PC-id_45166060	407.484	UFFGWYFWURJMPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118085
Cc1ccccc1CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1	CoCoCo_1428218,PC-id_26316826,EMOLS-id_20606711,CoCoCo_1428217,ZINC22_14951693,MCULE-9112342911	407.484	BFDQJROWDTXANN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118086
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(F)cc3)CCn12	ZINC22_14994627,CoCoCo_1392949,MCULE-6674055630,CoCoCo_1392950,EMOLS-id_20583005,PC-id_26350079	407.484	XQNJENQCSLVQOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118087
Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccccc1F)CC2	PC-id_28736931,ZINC22_20208124	407.484	UFFGWYFWURJMPC-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118088
Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccccc1F)CC2	PC-id_28736934,ZINC22_20208128	407.484	UFFGWYFWURJMPC-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118089
Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2	PC-id_42237328,ZINC22_11870098	407.484	JVHHMMFMHPCJBI-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118090
Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2	PC-id_42237330,ZINC22_11870101	407.484	JVHHMMFMHPCJBI-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118091
Cc1ccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1C	MCULE-2410292043,EMOLS-id_20532583,CoCoCo_1318260,ChEMBL-DNDi_CHEMBL34578617,ZINC22_20909219,CoCoCo_1318261,PC-id_29212292	407.484	OBZHUORLYMSNTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118092
O=C(c1c(sc2c1CCCCC2)NC(=O)c1ccccn1)Nc1ccccc1O	PC-id_145976095	407.485	YWBNRSCHBQGYEY-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-118112
Cc1ccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)c(C)c1	CoCoCo_1296180,ZINC22_20781146,ChEMBL-DNDi_CHEMBL31336283,PC-id_29152209,CoCoCo_1296179,MCULE-4506075396,EMOLS-id_20517281	407.484	NLFUIPXCIHJCQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118093
COc1ccccc1OCCNC(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317415517,MCULE-4381443048	407.484	JVNBKQBYSQZRIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118094
COc1ccc(CNC(=O)c2ccc3CN(CCCn23)S(=O)(=O)C)c(OC)c1	EMOLS-id_317418332,MCULE-3079897702	407.484	VSIRUMKESSQFJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118095
COC(=O)c1c(NC(=O)CN2C(=O)NC(C2=O)(C)CC)sc2c1CCCCC2	ChEMBL-DNDi_CHEMBL1464820,CHEMBL1464820,PC-id_4660451	407.484	VCSCEKYLCZCAKH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-118096
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)CC(c1ccccc1)C	ChEMBL-DNDi_CHEMBL34355808,PC-id_45166509	407.484	IIZISEBUOIIGBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118097
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4ccccc4)CCn23)cc1	CoCoCo_1362959,ChEMBL-DNDi_CHEMBL41408805,ZINC22_23337422,PC-id_31015600,CoCoCo_1362960,MCULE-1485968646,EMOLS-id_20563071	407.484	KSAGNDSBUFKSHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118098
s1c2CCCCCc2cc1C(=O)OCC(=O)C1C(N(CCC)C(=O)NC1=O)N	PC-id_78518125	407.484	HSTSHPHFNBSLGW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118099
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(CC)C)C(=O)OC	PC-id_2467434	407.484	VCSCEKYLCZCAKH-IBGZPJMESA-N	00000010100000000101000000000010000000000000000000000000	31-01-118100
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(CC)C)C(=O)OC	PC-id_2467436	407.484	VCSCEKYLCZCAKH-LJQANCHMSA-N	00000010100000000101000000000010000000000000000000000000	31-01-118101
c1(NC(=O)CCCN2C(=O)c3c(cccc3)C2=O)sc2c(CCCCC2)c1C#N	CoCoCo_1767806,PC-id_1842151,STOCK2S-31559,MCULE-1957915404,TIMTEC506740,EMOLS-id_3742942,ZINC22_2208775	407.485	VOZLXRLVSNFPCI-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-118102
CC[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	CoCoCo_1767809,ZINC22_2228615,PC-id_1860382	407.485	SZVXXCCZOOQPRN-KRWDZBQOSA-N	00000010100000100100000000001010000000000000000000000000	31-01-118103
CC[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	PC-id_1860384,CoCoCo_1767810,ZINC22_2228617	407.485	SZVXXCCZOOQPRN-QGZVFWFLSA-N	00000010100000100100000000001010000000000000000000000000	31-01-118104
CCC(N1C(=O)c2c(C1=O)cccc2)C(=O)Nc1sc2c(c1C#N)CCCCC2	STOCK2S-33347,EMOLS-id_3742944,MCULE-4661354021,TIMTEC464425,ChEMBL-DNDi_CHEMBL4072-2559,PC-id_3846539	407.485	SZVXXCCZOOQPRN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-118105
COc1cccc(c1)C(=O)N1CCc2nc(sc2CC1)C(=O)Nc1ccccc1	EMOLS-id_44303726,ZINC22_96146879,PC-id_97442403	407.485	ZEUGCTKZWQNBRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118106
COc1ccc(cc1)C(=O)N1CCc2nc(sc2CC1)C(=O)Nc1ccccc1	EMOLS-id_44303728,ZINC22_96146880,PC-id_97442404	407.485	ZNVVJGZWZYGIDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118107
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)c2ccccc2)c1	EMOLS-id_44303746,ZINC22_96146889,PC-id_97442413	407.485	BRXUKEHZLKLXSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118108
Oc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2	PC-id_145964961	407.485	CMABMSIBRBPFRT-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-118109
Oc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)Nc1ccccn1)CCCCC2	PC-id_145967357	407.485	IPRPWUGLLBDILH-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-118110
O=C(c1c(sc2c1CCCCC2)NC(=O)c1ccccc1O)Nc1ccccn1	PC-id_145964304	407.485	YPWGVHQEPQXVCJ-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-118111
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c2c([nH]c1)cccc2)C)C#N	PC-id_55425135	407.485	XFGBZAVPTZEIIY-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-118113
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1c2c([nH]c1)cccc2)C#N	PC-id_3887504	407.485	SLZMZPJPHNWWBE-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-118114
s1c2CCCCCc2nc1NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N)cc1	PC-id_56548948	407.485	FKKFMZOBLTZXIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118115
CC(S(=O)(=O)NCc1nnc2n1CCN(CC2)Cc1ccc2c(c1)OCO2)C	CoCoCo_1503534,PC-id_42397813,CoCoCo_1503533,ChEMBL-DNDi_CHEMBL66795295	407.487	CUWAIHHPTAQDSE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-118116
S(=O)(=O)(Nc1c(cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C)CC	PC-id_55948838	407.487	OZUMCHOTDVMOBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118117
S(=O)(=O)(Nc1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)CCC	PC-id_56108088	407.487	TYMLFQVTFLHKQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118118
S(=O)(=O)(Nc1cc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)C)ccc1)C	PC-id_55838229	407.487	SUSXRYULKUWLKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118119
S(=O)(=O)(Nc1c(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)C)cccc1)C	PC-id_55934361	407.487	RAZAQSOEWVFYGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118120
S(=O)(=O)(NCc1ccccc1)CCNC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55795668	407.487	TVDKAWOTXWNDTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118121
S(=O)(=O)(N(C)C)c1ccc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55846542	407.487	RGIVQSWIQILLDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118122
S(=O)(=O)(N(C)C)c1c(CNC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_55523655	407.487	FAYJVDATVHTNJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118123
S(=O)(=O)(N(OC)C)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55535456	407.487	VGCQGKMKUAINPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118124
C1CCc2nnc(n2CC1)/C(=C(/C[NH+]1CCN(CC1)C(=O)c1ccccc1)O)/C#N	PC-id_135789168	407.489	AFUGQHYGZQANDY-HNENSFHCSA-O	00000000100010110101000000000010000000000000000000000000	31-01-118125
Cc1cnc(cn1)C(=O)N1CCc2c(CC1)nc(s2)C(=O)NCc1ccccc1	PC-id_97442465	407.489	JLQQMVASFFTUJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118126
Cc1csc(n1)NC(=O)c1nc2c(o1)CCN(CC2)Cc1cc2c(cc1)[nH]cc2	PC-id_134805916	407.489	DNTJCSKCZUVZDP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-118127
O(c1c(cc(C[NH+]2CCn3c(nnc3CNC(=O)c3ncccc3)CC2)cc1)C)C	PC-id_42275543	407.489	NQLGDLHOWOGHEN-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-118128
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)c3ccncc3)CC2)cccc1)CC	PC-id_42467278	407.489	QTANSFJWUXGIAU-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-118129
O=C(C[NH+]1CCN(CC1)C(=O)c1ccccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78733398	407.489	LCVCZGRQFLCTKM-UHFFFAOYSA-O	00000011000010110111000000000010000000000000000000000000	31-01-118130
O=C(C[NH+]1CCN(CC1)C(=O)c1ccccc1)/C(=C
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O=C(N1CCc2c(CC1)nc(s2)C(=O)Nc1cccnc1)NCc1ccccc1	PC-id_97524671	407.489	WKDJBBOICQOQSH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118132
O=C(Nc1ccncc1)c1nc2c(s1)CCN(C(=O)NCc1ccccc1)CC2	ZINC22_96146913,EMOLS-id_44303794,PC-id_97442437	407.489	YDVCSGXAQUOKJX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118133
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ncccc1)C)COc1ccccc1	PC-id_74781148	407.489	NAVBVHKHBZMKAJ-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-118134
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1cccnc1)c1ccc(OC)cc1	PC-id_26330417	407.489	DHFAMXNXQBGTNJ-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-118135
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ncccc1)C)COc1ccccc1	PC-id_42172281	407.489	NAVBVHKHBZMKAJ-QGZVFWFLSA-O	00000000100000111101000000000010000000000000000000000000	31-01-118136
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ncccc1)C)COc1ccccc1	PC-id_42172283	407.489	NAVBVHKHBZMKAJ-KRWDZBQOSA-O	00000000100000111101000000000010000000000000000000000000	31-01-118137
Cc1ccc(cc1)c1nc(n[nH]1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135830555	407.492	KLONACFRFHBDNV-NXVVXOECSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118138
Cn1c(nnc1SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O)c1ccccc1	PC-id_135721559	407.492	WRFLEIUUCULIFH-NXVVXOECSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118139
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1nc([nH]n1)c1ccc(cc1)C	PC-id_78722527	407.492	FJSJFFGZIVUDAU-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-118140
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1nc([nH]n1)c1ccc(cc1)C	PC-id_8553627	407.492	FJSJFFGZIVUDAU-CYVLTUHYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-118141
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1n(c(nn1)c1ccccc1)C	PC-id_78702774	407.492	AXGFHBSQBWEYJD-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-118142
S(CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N)c1n(c(nn1)c1ccccc1)C	PC-id_8459699	407.492	AXGFHBSQBWEYJD-XDJHFCHBSA-N	00000011100000110111100000000010000000000000000000000000	31-01-118143
c1(NC(=O)c2ccc(cc2)S(=O)(=O)C)sc2c(CCCCC2)c1C(=O)OC	ZINC22_4518040,PC-id_7267203,CoCoCo_5142655,MCULE-2813190485,EMOLS-id_5571168	407.504	REQKZCNJMHTOFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118144
CC1(N(C(CO1)C=CCCC1CCCCc2noc(=O)n12)C(=O)OC(C)(C)C)C	PC-id_91033689	407.504	HNEADHQCMIQFDC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-118145
C=C[C@@H]1c2ccsc2CCN([C@@H]1C(=O)OC)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966445	407.504	KBCWQOMVLJVJSR-QAPCUYQASA-N	00000000100000110100000000000010000000000000000000000000	31-01-118146
C=C[C@@H]1c2ccsc2CCN([C@H]1C(=O)OC)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966451	407.504	KBCWQOMVLJVJSR-CRAIPNDOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118147
CCOC(=O)C1CCN(c2c(C1=O)cc(s2)C)S(=O)(=O)c1ccc(cc1)C	PC-id_145759163	407.504	DJDVMVHWCJUUOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118148
COc1ccc(cc1)S(=O)(=O)N1CCc2sccc2C/C=CCOC(=O)C1	PC-id_139966464	407.504	COPFPDDLSULXOB-IHWYPQMZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-118149
COC(=O)c1c(NC(=O)COC(=O)c2ccc(C)s2)sc2c1CCCCC2	PC-id_2453687,MCULE-5250224178,ChEMBL-DNDi_CHEMBL1313215,CHEMBL1313215,CoCoCo_3041403,EMOLS-id_42765022,ZINC22_3337501	407.504	KBJYZBPFHZAXLI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-118150
O1C(N(C(C1)/C=C/CCC1n2c(noc2=O)CCCC1)C(=O)OC(C)(C)C)(C)C	PC-id_22901462	407.504	HNEADHQCMIQFDC-KPKJPENVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-118151
O1C(N([C@@H](C1)C=CCCC1n2c(noc2=O)CCCC1)C(=O)OC(C)(C)C)(C)C	PC-id_59923013	407.504	HNEADHQCMIQFDC-OEMAIJDKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-118152
s1c2CCCCCc2cc1C(=O)OCC(=O)c1ccc(NS(=O)(=O)C)cc1	PC-id_8128506	407.504	PGIFYQRPXYDBQL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118153
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)C)ccc1	PC-id_8254628	407.504	VFBXSEAJASYJQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118154
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(S(=O)(=O)C)cccc1	PC-id_8254631	407.504	KEVJJSSFFFAZAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118155
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)C)ccc1)C(=O)OC	PC-id_7565673	407.504	QCUPVLSWSUKDGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118156
s1c2c(CCCCC2)c(c1NC(=O)c1c(S(=O)(=O)C)cccc1)C(=O)OC	PC-id_7565531	407.504	YZPHPGJVXLLMGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118157
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1sccc1C)C(=O)OC	PC-id_3962975	407.504	ITHCDJNYZCOWEA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-118158
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)Cc1ccsc1)C(=O)OC	PC-id_4408427	407.504	XVSVISREYSLIDE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-118159
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)Cc1sccc1)C(=O)OC	PC-id_7798881	407.504	UANGFEIOGGWZCN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-118160
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1ccccc1)C(=O)OC	PC-id_7544518	407.504	DGFAXFHLRBGBME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118161
s1c2c(CCCCC2)c(C(=O)NC2CCCCC2)c1NC(=O)COCC(=O)[O-]	PC-id_27524500	407.504	MNRQXZYOYGORTO-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-118162
S(=O)(=O)(N1C(C(c2c(scc2)CC1)C=C)C(=O)OC)c1ccc(OC)cc1	PC-id_76472771	407.504	KBCWQOMVLJVJSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118163
S(=O)(=O)(N1C(Cc2sccc2C(C1)C=C)C(=O)OC)c1ccc(OC)cc1	PC-id_76494993	407.504	JNNUSVLKLAJOOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118164
S(=O)(=O)(N1[C@@H](Cc2sccc2[C@@H](C1)C=C)C(=O)OC)c1ccc(OC)cc1	PC-id_57222510	407.504	JNNUSVLKLAJOOX-DYVFJYSZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118165
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)C=C)C(=O)OC)c1ccc(OC)cc1	PC-id_57030008	407.504	KBCWQOMVLJVJSR-YJBOKZPZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118166
S(=O)(=O)(N1[C@H]([C@H](c2c(scc2)CC1)C=C)C(=O)OC)c1ccc(OC)cc1	PC-id_57055601	407.504	KBCWQOMVLJVJSR-MAUKXSAKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118167
Cc1ccc(cc1F)S(=O)(=O)N1CCCn2c(C1)nnc2CN1CCCCC1	PC-id_97519770	407.505	SAUUFXHHXZVJKB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118168
Cc1ccc(cc1F)S(=O)(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	ZINC22_96259604,EMOLS-id_44370756,PC-id_97519686	407.505	HKTFQDBCKGRNOI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118169
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCC(C1)C(=O)c1ccccc1)cc2	PC-id_19937400,SCHEMBL9038772	407.505	VBWGXBZVWNIZKY-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-118170
OCCN(Cc1ccc(cc1)/C=C/C(=O)NO)CCc1c[nH]c2c1CC=CCC=C2	PC-id_142985422	407.505	BYIZBSDHGDXNIA-BFKGFSFTSA-N	00000000100000110110000000000010000000000000000000000000	31-01-118171
OC(=O)C1C2CC(C1NC(=O)c1nn(c3c1CCCCC3)Cc1ccccc1)CC2	PC-id_77157956	407.505	RQDREYZVLXIKBQ-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-118172
OC(=O)[C@@H]1C2CCC([C@@H]1NC(=O)c1nn(c3c1CCCCC3)Cc1ccccc1)C2	SCHEMBL300702,PC-id_66647657	407.505	RQDREYZVLXIKBQ-MZZRDLGESA-N	00000010100010110101000000000110000000000000000000000000	31-01-118173
c1(NC(=S)NNC(=O)c2ccco2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_6799901,TIMTEC198824,MCULE-2836971002,EMOLS-id_4086826,PC-id_3268000	407.507	HPWCGXFAIOFBJZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-118174
c1(sc2c(CCCCC2)c1C(=O)N)NS(=O)(=O)c1ccc(cc1)NC(=O)C	CoCoCo_683270,ZINC22_5852198,EMOLS-id_4086820,MCULE-6162702097,PC-id_2163562	407.507	PYLRETOMBMFRRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118175
CC(C)(C)C(C(=O)NC)NC(=O)C1c2cncn2CCCN1C(=O)OC(C)(C)C	PC-id_91473132	407.507	HVBOCSZIOLTWAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118176
CC(C[C@@H](C(=O)N)NC(=O)c1nc(n2c1CN(CCC2)C(=O)OC(C)(C)C)C)C	PC-id_145538782	407.507	FWVSZBGQIAVYCG-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118177
CC(C)S(=O)(=O)c1ccc(cc1)CC(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625458	407.507	CTCNENXYXFKIJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118178
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)C1CC1)nn2)C	PC-id_134828935	407.507	HYRQJLWVDAFDMV-IIDMSEBBSA-N	00100000100000000101000000000010000000000000000000000000	31-01-118179
CNC(=O)c1ccc(cc1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_17165903,CoCoCo_4288221,PC-id_25496457,MCULE-2903383961	407.507	AZQDZYCRULYUPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118180
CNC(=O)C(C(C)(C)C)NC(=O)c1ncn2c1CN(CCC2)C(=O)OC(C)(C)C	SCHEMBL1174613,PC-id_66931893	407.507	HRIJSWCYLMCEKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118181
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c1(NC(=S)Nc2cn(nc2C(=O)N)C)sc2c(CCCCC2)c1C(=O)OC	ZINC22_2851649,MCULE-9797914970,TIMTEC257290,CoCoCo_990251,PC-id_2205354,EMOLS-id_2003023,ChEMBL-DNDi_CHEMBL7787551	407.51	KCQQYPJYCIYZGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118253
s1c2c(CCCCC2)c(c1NC(=O)CSc1nc(N)cc(n1)N)C(=O)OC	PC-id_3463943	407.51	AWLVJFUFLDTCMD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-118254
s1c2c(CCCCC2)c(c1NC(=O)CSc1nc(ncn1)N)C(=O)OCC	PC-id_23970081	407.51	GWPAIABKLKFLCX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-118255
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1)C)C(=O)N)C(=O)OC	PC-id_20173523	407.51	DJKLERHZEMHDEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118256
s1c2c(CCCCCC2)c(c1NC(=O)CSc1nc(ncn1)N)C(=O)OC	PC-id_24080919	407.51	MQZZJRPZGBDDGO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-118257
S(c1n2CCCCCc2nn1)CC(=O)C1C(=[N+](CC(C)C)C(=O)N(C1=O)C)N	PC-id_78591422	407.51	NFFPABGAQFPUCE-UHFFFAOYSA-O	00000000100011000101000000000010000000000000000000000000	31-01-118258
Cc1ccc(c2nc(CN3CCN(Cc4nnc5n4CCCCC5)CC3)no2)cc1	ZINC22_40105783,PC-id_45891605,MCULE-3024538664,CoCoCo_4896625,EMOLS-id_29594089,CoCoCo_4896624	407.512	VPJSZDPAGPDAEM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118259
CC(c1onc(n1)c1ccccc1)N1CCN(CC1)Cc1nnc2n1CCCCC2	MCULE-3616733399,EMOLS-id_53749581,PC-id_119032242	407.512	CULLLXMOUXPCQL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118260
C[C@H](c1nc(c2ccccc2)no1)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_100656884,ZINC22_225500202	407.512	CULLLXMOUXPCQL-QGZVFWFLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118261
C[C@@H](c1nc(c2ccccc2)no1)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_225500169,PC-id_100656870	407.512	CULLLXMOUXPCQL-KRWDZBQOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118262
CCNC(=NCc1coc(n1)c1ccc(cc1)C)NCc1nnc2n1CCCCC2	PC-id_111591901	407.512	ZOVXLQOMLQARPQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118263
CCNC(=NCc1coc(n1)c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111552556	407.512	GXYVFTYUXCKOOE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118264
CN=C(NCc1coc(n1)c1ccc(cc1)C)NCCc1nnc2n1CCCCC2	PC-id_111591449	407.512	XCOZGVHGOHOFHK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118265
CN=C(NCc1coc(n1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111553389	407.512	JALHMKSBIHXFTF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118266
O=C(N1CCN(CC1)Cc1ccc(cc1)C#N)NCCc1n2CCCCCc2nn1	PC-id_52220598	407.512	XUWQVPAYZKZEKW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118267
s1c2c(CCCCC2)c(c1NC(=O)CCSc1ccc(F)cc1)C(=O)OC	PC-id_7546432	407.522	TZMOTRXHPXBYMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118268
s1c2c(CCCCC2)c(c1NC(=O)CSc1ccc(F)cc1)C(=O)OCC	PC-id_7546141	407.522	RVJVPTPOARZHRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118269
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_4604808,MCULE-1250359445,TIMTEC173663,EMOLS-id_4086850,SPECS-id_AK-968/37220043	407.524	GNLDXJZHRUMQTK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118270
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCC2	CoCoCo_5819416,PC-id_1027470,ZINC22_694476	407.524	GNLDXJZHRUMQTK-ZIAGYGMSSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118271
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCC2	CoCoCo_5819417,ZINC22_4646627,PC-id_1027468	407.524	GNLDXJZHRUMQTK-UONOGXRCSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118272
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCC2	PC-id_1027471,ZINC22_694478,CoCoCo_5819418	407.524	GNLDXJZHRUMQTK-KBPBESRZSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118273
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCC2	PC-id_1027473,ZINC22_4646626,CoCoCo_5819419	407.524	GNLDXJZHRUMQTK-KGLIPLIRSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118274
s1c2c(CCCCC2)c(c1NC(=O)C1C(CCCC1)C(=O)O)C(=O)OCCC	PC-id_3257256	407.524	ITPJYBILQASEPM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118275
s1c2c(CCCCC2)c(c1NC(=O)C1C(CCCC1)C(=O)O)C(=O)OC(C)C	PC-id_3507442	407.524	BDKDZMVWGXRERT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118276
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CC1CCCCC1)C(=O)OC	PC-id_3910962	407.524	QVGVOAIBTGGACD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118277
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CCC1CCCC1)C(=O)OC	PC-id_3925448	407.524	VQPTXTZKLFXNPM-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-118278
s1c2CCCCCCc2nc1NC(=O)CSCC(=O)Nc1ccc(F)cc1	PC-id_56021334	407.525	VNZNSAFTAJDEDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118279
c1(NC(=O)CCC(=O)N2CCC(CC2)C(=O)OCC)sc2c(CCCCC2)n1	EMOLS-id_334774023,MCULE-9357385003	407.527	COOLGLZAEFNEIW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118280
c1(NC(=O)CCC(=O)N2CCCC(C(=O)OCC)C2)sc2c(CCCCC2)n1	EMOLS-id_334780168,MCULE-9815329195	407.527	IWKBQIFBNJKREC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118281
O=C1C=CC(=N[NH+]=C2C=CC(=Cc3cc(c4-c3c(C)ccc(c4)C(C)C)C)C=C2)C=C1	PC-id_101470400	407.527	VZROKKBRJNRQQZ-UHFFFAOYSA-O	00000010100011000110000000000010000000000000000000000000	31-01-118282
c1(c2CCCCCc2sc1NCc1ccccn1)C(=O)Nc1ccccc1OC	PC-id_3601390,EMOLS-id_16406274,MCULE-4382811525,CoCoCo_2720529	407.528	QFIHCSUHHKEISP-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-118283
c1(c2CCCCCc2sc1NCc1cccnc1)C(=O)Nc1ccccc1OC	EMOLS-id_16406278,MCULE-5357713367,PC-id_3359908,ChEMBL-DNDi_CHEMBLK801-0644,CoCoCo_2720532	407.528	DNDQVGSTNNRKDN-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-118284
s1c2c(CCCCC2)c(c1NCc1ccncc1)C(=O)Nc1c(OC)cccc1	PC-id_3657429	407.528	SXRVPKKYVMVHHS-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-118285
s1c2CCCCCCc2nc1NC(=O)c1c(=O)n(Cc2cc(ccc2)C)ccc1	PC-id_56107928	407.528	DTHJTJQELFMAQX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118286
COc1cc(ccc1OCc1ccccc1)C[N@H+]1CCn2c(CC1)nnc2C(C)C	GD-id_ZINC14990562	407.529	VQEYRVOEQFMFEC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-118287
COc1cccc(CN2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)c1	EMOLS-id_313793081,ZINC22_1203819539	407.529	WYJIKTJBGXHQBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118288
O(c1c(C[NH+]2CCn3c(nnc3CCc3ccccc3)CC2)ccc(OC)c1C)C	PC-id_42376754	407.529	IAPWYWKSFDPCPD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-118289
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)OC)CCn12	ChEMBL-DNDi_CHEMBL53402336,EMOLS-id_20610195,MCULE-6546135360,PC-id_45166925	407.53	DTIBCVSJIPGATC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118290
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccccc3OC)CCn12	MCULE-6622706360,EMOLS-id_20589385,ChEMBL-DNDi_CHEMBL47893036,PC-id_45166841	407.53	FOALPLMHTGOCPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118291
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cccc(OC)c3)CCn12	EMOLS-id_20721257,MCULE-7475337879,PC-id_45245783	407.53	BFCOYGSAWACJMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118292
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(CC(=Cc3ccco3)C)CCn12	MCULE-6718097976,PC-id_75098726	407.53	MUVUDYDWIDXGAU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-118293
C/C(=Cc1ccco1)/CN1CCc2nnc([C@H](NS(=O)(=O)C)C(C)C)n2CC1	ZINC22_12127666	407.53	MUVUDYDWIDXGAU-NKAIQICCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-118294
C/C(=Cc1ccco1)/CN1CCc2nnc([C@@H](NS(=O)(=O)C)C(C)C)n2CC1	ZINC22_12127673	407.53	MUVUDYDWIDXGAU-XOVFHRFOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-118295
CC(C)C(NS(=O)(=O)C)c1nnc2CCN(C/C(=C/c3ccco3)/C)CCn12	EMOLS-id_232784960,PC-id_45167419	407.53	MUVUDYDWIDXGAU-NTCAYCPXSA-N	00000000101000000101000000000010000000000000000000000000	31-01-118296
CCn1c2c(CN(CC(C2)Cc2n[nH]c3c2COC3)S(=O)(=O)C)c(n1)C(C)C	PC-id_134402294,SCHEMBL20033634	407.53	OLDKKOPCECRFAL-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-118297
CCN(Cc1cn(CC)nc1C)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317417565,MCULE-9209322449	407.53	UNNBJDJCGMPLJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118298
COc1ccccc1CN1CCc2nnc([C@@H](NS(=O)(=O)C)C(C)C)n2CC1	ZINC22_12030816	407.53	FOALPLMHTGOCPC-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118299
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCCCC)C(=O)OCC	PC-id_3713915	407.61	FFYAITNNYZGCTL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118398
COc1ccccc1CN1CCc2nnc([C@H](NS(=O)(=O)C)C(C)C)n2CC1	ZINC22_12030821	407.53	FOALPLMHTGOCPC-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118300
COc1cccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	CoCoCo_1603108,ZINC22_12127450,CoCoCo_1603109	407.53	BFCOYGSAWACJMJ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118301
COc1cccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	ZINC22_12127456,CoCoCo_1603106,CoCoCo_1603107	407.53	BFCOYGSAWACJMJ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118302
COc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	ZINC22_12048069	407.53	DTIBCVSJIPGATC-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118303
COc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	ZINC22_12048072	407.53	DTIBCVSJIPGATC-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118304
N#CC(=C(c1ccc(s1)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C)C#N)C#N	PC-id_101475417	407.53	UXGNHWWELRKZEM-BQYQJAHWSA-N	00000010100100000110000000000010000000000000000000000000	31-01-118305
C1CN(CCN1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)NCc1ccccc1	PC-id_89125795	407.532	JNQSAKHPPSUFBB-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-118306
Cc1c(c(ccc1)N1CC[NH+](CC1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)C	PC-id_135779708	407.532	SJSXFLBGNUFCSZ-VZCXRCSSSA-O	00000000100010110101100000000010000000000000000000000000	31-01-118307
Cc1cc(ccc1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCNCC1	PC-id_89125863	407.532	IYLBZUHWQSVZKJ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-118308
Cc1cccc(c1)N/C/1=N/Cc2cc(sc2/C=CC/C=N1)C(=O)N1CCNCC1	SCHEMBL13591861	407.532	IYLBZUHWQSVZKJ-BGHJUUCHSA-N	00000000100010110111000000000010000000000000000000000000	31-01-118309
Cc1ccc(C)c(Sc2ncccc2C(=O)NCc2nnc3n2CCCCC3)c1	ZINC22_23043306,CoCoCo_3865690,MCULE-4113877415,PC-id_24243819,EMOLS-id_17199358	407.532	YZHWXLMEOWVAEU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118310
Cc1ccc(Sc2ncccc2C(=O)NCc2nnc3n2CCCCC3)cc1C	PC-id_17544314,MCULE-4827809256,CoCoCo_3865689,EMOLS-id_16810949,ZINC22_12813315	407.532	QRFSPBUGIDNEBR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118311
CCOc1ccc(cc1)C1=CSC(=C(c2nnc3n2CCCCC3)C#N)N1CC	MCULE-3840015987,PC-id_3556235	407.532	AFQJSVUEYGIVJR-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-118312
CCOc1ccc(cc1)C1=CS/C(=C(c2nnc3n2CCCCC3)/C#N)/N1CC	PC-id_2315192,CoCoCo_3729565	407.532	AFQJSVUEYGIVJR-PYCFMQQDSA-N	00000011100000110101100000000010000000000000000000000000	31-01-118313
CCOc1ccc(cc1)C1=CS/C(=C(C#N)/c2nnc3CCCCCn23)/N1CC	BindingDB-id_152337,CoCoCo_3729566,PC-id_2315193,ChEMBL-DNDi_CHEMBL1618729,BindingDB_PC-id_2315193	407.532	AFQJSVUEYGIVJR-RELWKKBWSA-N	00000011100000110101100000000010000000000000000000000000	31-01-118314
O=C(c1sc2c(c1)C/N=C(N=C/C/C=C)/NCc1ccccc1)N1CCNCC1	SCHEMBL13591666	407.532	JNQSAKHPPSUFBB-IYDGGIKUSA-N	00000000100010110111000000000010000000000000000000000000	31-01-118315
O=C(C[NH+]1CCN(CC1)c1c(c(ccc1)C)C)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78700385	407.532	APLVLVOKIIJUBS-UHFFFAOYSA-O	00000011000010110111100000000010000000000000000000000000	31-01-118316
O=C(C[NH+]1CCN(CC1)c1c(c(ccc1)C)C)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8448211	407.532	APLVLVOKIIJUBS-FCDQGJHFSA-O	00000011000010110111100000000010000000000000000000000000	31-01-118317
s1c2c(CCCCC2)c(c1NC(=O)C(SCc1occc1)C)C(=O)OCC	PC-id_23849739	407.547	WYPCZTUBYMWDEL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-118318
CCC(CC1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC)O	PC-id_87588731	407.548	HACVNFTVCSGXRN-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-118319
CCC(CC1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC)O	PC-id_136414777,SCHEMBL3877494	407.548	KLTUXNYMYABUMC-BUVRLJJBSA-N	00000011110000000100100000000010000000000000000000000000	31-01-118320
CCC(CC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC)O	PC-id_136655810	407.548	KLTUXNYMYABUMC-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-118321
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCC(CC1)Cc1ccccc1)cc2	PC-id_10692786,SCHEMBL9040830	407.548	ARIPXMGSSGHBPN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-118322
OC(CC1CCCCCCc2[nH]c(c1c2)/C=c
/[nH]c(=C2N=CC=C2)cc1OC)CC	PC-id_68823840	407.548	HACVNFTVCSGXRN-QKSFICBDSA-N	00000011110000000100100000000010000000000000000000000000	31-01-118323
Cc1cc(C(=O)Nc2nc3c(s2)CCCCC3)cc(S(=O)(=O)N(C)C)c1C	EMOLS-id_16731932,ZINC22_12828762,MCULE-8196133633,PC-id_17519217,CoCoCo_4546189	407.55	ANGWBSHABYWQMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118324
Cc1cc(NC(=O)c2cc3c(s2)CCCCCC3)n([C@@H]2CCS(=O)(=O)C2)n1	ZINC22_58083072,PC-id_52495993	407.55	FYGMDBXRHJZDSY-OAHLLOKOSA-N	00000010100000000101100000000010000000000000000000000000	31-01-118325
Cc1cc(NC(=O)c2cc3c(s2)CCCCCC3)n([C@H]2CCS(=O)(=O)C2)n1	ZINC22_58083079,PC-id_52495994	407.55	FYGMDBXRHJZDSY-HNNXBMFYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-118326
Cc1cc(n(n1)C1CCS(=O)(=O)C1)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_31333023,MCULE-6793780672,PC-id_47008406	407.55	FYGMDBXRHJZDSY-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-118327
CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2	CoCoCo_4546139,ZINC22_32885728,PC-id_40120740	407.55	KXQTWOAHCTYGNS-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118328
CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2	ZINC22_32885727,CoCoCo_4546138,PC-id_40120739	407.55	KXQTWOAHCTYGNS-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118329
CC(C(C(=O)Nc1nc2c(s1)CCCCC2)NS(=O)(=O)c1ccccc1)C	PC-id_42933522,MCULE-2483093006,EMOLS-id_43426698	407.55	KXQTWOAHCTYGNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118330
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1	MCULE-2095912999,PC-id_25675727,CoCoCo_4546166,EMOLS-id_24133236,ZINC22_13021686	407.55	HGDZESSMIIWWJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118331
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1	MCULE-9271949210,EMOLS-id_16732264,PC-id_17519415,ZINC22_12924750,CoCoCo_4546045	407.55	QJIKOAILLJTEAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118332
O1CCN(CCN(CCCCCC)C(=O)Cn2nc3n(CCCCC3)c2=O)CC1	PC-id_56093503	407.55	IAFQOTIHGGXUKJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118333
O=C(NNC(=O)c1sc2c(c1)CCCCCC2)CSCc1c(C)noc1C	EMOLS-id_29643075,PC-id_35431352,CoCoCo_3415948,MCULE-5100608043	407.55	ZXVNUVANAZHQKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118334
s1c2c(CCCCC2)c(c1NC(=O)CCSc1n(ccn1)C)C(=O)OCC	PC-id_23889554	407.55	KCVUQHIVUOIIDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118335
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1n(ccn1)C)C)C(=O)OCC	PC-id_23886518	407.55	SKJMTYHHKMWHFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118336
s1c2c(CCCCC2)c(c1NC(=S)Nc1noc(C(C)(C)C)c1)C(=O)OC	PC-id_19687500	407.55	CVQBHBNEIVGIIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118337
s1c2CCCCCc2nc1NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1C	PC-id_24611813	407.55	NKVSOWJDULIOCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118338
s1c2CCCCCc2nc1NC(=O)CCNS(=O)(=O)c1cc(c(cc1)C)C	PC-id_30217067	407.55	MPLOBILJHRGOGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118339
s1c2CCCCCc2nc1NC(=O)CCNS(=O)(=O)c1c(ccc(c1)C)C	PC-id_30254375	407.55	DSHJYPWQYKZHJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118340
s1c2CCCCCCc2cc1C(=O)Nc1c(N(C)C)ccc(S(=O)(=O)N)c1	PC-id_9302584	407.55	FGXUSXLXNQJKGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118341
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1n(ccn1)C)C(=O)OC	PC-id_24029059	407.55	QCNRZEIUTDPEBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118342
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1n(ccn1)C)C)C(=O)OC	PC-id_23914599	407.55	ZEKKHYLYGUPCSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118343
s1c2CCCCCCc2nc1NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1	PC-id_56020829	407.55	AIFPXIORQDQQMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118344
s1c2CCCCCCc2nc1NC(=O)c1cc(S(=O)(=O)NC)c(c(c1)C)C	PC-id_56021469	407.55	ZTVGOXMRUXERNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118345
s1c2CCCCCCc2nc1NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1	PC-id_60572095	407.55	IIQKCDKKAUBQTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118346
s1c2CCCCCCc2nc1NC(=O)CCc1ccc(S(=O)(=O)NC)cc1	PC-id_60572241	407.55	UMFUAHXQBSCMQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118347
S(=O)(=O)(NC(C)(C)C)c1ccc(C(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_24611818	407.55	DQBZEKPJUOFMCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118348
S(=O)(=O)(N(C(C)C)C)c1ccc(C(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_29859550	407.55	BQIRDTOQYKXPCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118349
c1(C(=O)NCCCCCc2nc3c(cccc3)n2C(C)C)c2CCCCCc2n[nH]1	ZINC22_96231599,MCULE-9949294876,EMOLS-id_50401474,PC-id_75489978,EMOLS-id_49248216,STOCK7S-46884	407.552	APNDXYPAKMDCQD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118350
CCNC(=NCc1nnc2n1CCCCC2)NCC(NC(=O)OC(C)(C)C)(C)C	PC-id_109552172	407.553	DCWMCXYSAWIEQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118351
CCNC(=NCCCc1nnc2n1CCCCC2)NCCNC(=O)OC(C)(C)C	PC-id_111884583	407.553	RQERYYRHXIKIRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118352
CCNC(=NCC(CN1CCOCC1)(O)C)NCCc1nnc2n1CCCCC2	PC-id_111657310	407.553	OECJCOCAXLUDDI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118353
CCNC(=NCCCNC(=O)OC(C)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111885929	407.553	DFHJZNNAHHVZJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118354
CN=C(NCCCc1nnc2n1CCCCC2)NCCCNC(=O)OC(C)(C)C	PC-id_111886341	407.553	VWXOBRLVDCDCRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118355
CN=C(NCC(NC(=O)OC(C)(C)C)(C)C)NCCc1nnc2n1CCCCC2	PC-id_109551688	407.553	ZWISHOHCSKUEIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118356
O=S(=O)(c1ccccc1)N1CCN(Cn2nc3n(c2=S)CCCCC3)CC1	CoCoCo_3446734,ZINC22_13072166,MCULE-4449569854,PC-id_25701382,EMOLS-id_24159056	407.553	YTIHIASYVPAQBJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118357
S(c1n2CCCCCc2nn1)CC(=O)N(CC(=O)NCc1sccc1)CC	PC-id_8379213	407.553	PYSGWRBBNWXEGB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-118358
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1ccc(c2)C	PC-id_111973912	407.555	PHIXWELSZMUVGK-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-118359
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1cccc2	PC-id_110996285	407.555	RKXQOLNGQPWANF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-118360
CCNC(=NCCCn1ccc2c1cccc2)NCCc1nnc2n1CCCCC2	PC-id_111341541	407.555	YFMHAKKGHVUMLY-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-118361
CN=C(N1CCN(CC1)C/C=C/c1ccccc1)NCc1nnc2n1CCCCC2	PC-id_111218551	407.555	SFBMOSNBTKCAKW-DHZHZOJOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118362
CN=C(NCCc1c(C)[nH]c2c1cccc2)NCCCc1nnc2n1CCCCC2	PC-id_112086133	407.555	BIYNTLORPUQNID-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-118363
CN=C(NCCc1c[nH]c2c1ccc(c2)C)NCCCc1nnc2n1CCCCC2	PC-id_111973710	407.555	IDPFCIHUSWVVHO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-118364
CN=C(NCCc1c[nH]c2c1cccc2C)NCCCc1nnc2n1CCCCC2	PC-id_112086161	407.555	USXQWMMGCCQIQE-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-118365
CN=C(NCCc1c[nH]c2c1c(C)ccc2)NCCCc1nnc2n1CCCCC2	PC-id_112086139	407.555	NLUBDDNTHNNUNJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-118366
CN=C(NCCCc1nnc2n1CCCCC2)NCCCn1ccc2c1cccc2	PC-id_111342011	407.555	VWHKDUXVZFFTPI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-118367
n1(c2c(nc1)c(nc(=NCCCCCCCCCC)nc2N)N)Cc1ccccc1	PC-id_46871968	407.555	HUNOHOMZKVHJFC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-118368
CC(C(=O)N1CCN(CC1)Cc1nnc2n1CCCCC2)Sc1scnn1	PC-id_45906058,MCULE-2747207990,EMOLS-id_30258213	407.557	JDBVBUQKVVFKIH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118369
C[C@H](Sc1nncs1)C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_51957537,ZINC22_40135765	407.557	JDBVBUQKVVFKIH-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118370
C[C@@H](Sc1nncs1)C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_40135766,PC-id_51957538	407.557	JDBVBUQKVVFKIH-CYBMUJFWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118371
S1C(c2oc(c(c2N(C(=C1C)C)CC)C(=O)C(C)(C)C)C(=O)OCC)(CC)C	PC-id_24774238	407.567	CURMHXJPWQPANJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-118372
c1(sc2c(CCCCC2)n1)NC(=O)[C@H]1CC[C@@H](CC1)CNC(=O)OC(C)(C)C	MCULE-4349883278,EMOLS-id_323484351	407.57	JEXSMAVQJXAIEF-SHTZXODSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118373
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCC(=O)N(CCC)CCC	PC-id_56546341	407.57	LOLCQQAXDRCZFF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118374
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)CCC)C(=O)OCC	PC-id_22197000	407.57	FWFOSILCPGGZQC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118375
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(NC(=O)CC(C)C)C(C)C	PC-id_55821561	407.57	LYUAHWQCGURYFV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118376
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)CCC)C(=O)OC	PC-id_22196951	407.57	YADFTLMCWZUMCY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118377
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N#CCCCN(CCc1ccc(cc1)Oc1nc2c(s1)CC=CC=C2)CCCC	PC-id_143381839	407.572	UJMUXRVXBTYUGG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-118379
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CCC1)Cc1ccc(cc1)C#N	PC-id_31340776	407.572	JOJKZGIVUGIUCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118380
c1(NC(=S)NC(=O)Cc2cccs2)sc2c(CCCCCC2)c1C(=O)N	MCULE-4451350386,STOCK2S-75064,ZINC22_2316284,EMOLS-id_4456910,PC-id_1932867	407.573	POWYGNOERPDKMP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-118381
CCNc1nnc(s1)SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	EMOLS-id_11764120,PC-id_16328105,MCULE-1998740457	407.577	IHJFWIYMLASKQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118382
CCNc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1	PC-id_8351409,ZINC22_7249315,CoCoCo_4185740	407.577	IHJFWIYMLASKQE-SNVBAGLBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118383
CCNc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1	ZINC22_7249310,CoCoCo_4185739,PC-id_8351404	407.577	IHJFWIYMLASKQE-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-118384
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s1c2CCCCCc2c(c1NC(=O)CSc1sc(NCCC)nn1)C#N	PC-id_27764595	407.577	QLMQKBQQODZKSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118386
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)C(=O)Cc1scc(n1)C	PC-id_9324970	407.577	PPVUVTBLOXFRIS-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-118387
CCCC/C(=C(/c1c(CC(CC(=O)OCC)C)cc2-c1ccccc2)CC(=N)C)/C	PC-id_140409409	407.588	ZBQQUTASVGLSQO-VETVDMEFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118388
O=C(c1nn(c2c1CCCCC2)Cc1ccccc1)NC(C1(C)CCC1)C(C)(C)C	PC-id_143116528	407.591	GAUIVWVJLOQEMK-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-118389
CC(NC(=O)C[N@@H+]1CCCN(CC1)C(=O)NCc1cc2c(s1)CCCCC2)C	GD-id_ZINC51748203	407.593	MUBFQEWKIMOUMP-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-118390
Nc1nc2c(s1)CCN(CC2)CC=Cc1ccccc1SCc1ccccc1	PC-id_53868453,SCHEMBL7285658	407.595	HBKKODNNOUPUME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118391
Nc1nc2c(s1)CCN(CC2)CC=Cc1cccc(c1)SCc1ccccc1	SCHEMBL7292400,PC-id_53724590	407.595	CJOLDZCKNCNUBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118392
Nc1nc2c(s1)CCN(CC2)CC=Cc1ccc(cc1)SCc1ccccc1	SCHEMBL7295968,PC-id_54140490	407.595	OATBOFIGZFDIPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118393
c1(NC(=O)CCCCCCCCCCC)sc2c(CCCCC2)c1C(=O)OC	PC-id_4193203,EMOLS-id_30099999,ZINC22_102403985,MCULE-2095647537,SCHEMBL17816985	407.61	GSGSVRAOGNHSOJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118394
CC(c1ccc(c2-c(c1)c(C)cc2[CH+]c1cc(c2-c1c(C)ccc(c2)C(C)C)C)C)C	PC-id_101065472	407.61	MSDFWAHXMKHSDH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118395
CC(C)(C)c1ccc2-c(ccc2CC[CH+]c2c3-c(ccc(cc3)C(C)(C)C)cc2)cc1	PC-id_136441139	407.61	LCKACMGEZQMFEJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118396
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c1(NC(=O)CCC(=O)NCCCCCCCCCC)sc2c(CCCCC2)n1	EMOLS-id_335023904,MCULE-3463389410	407.613	JTROPAPZMDADCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118403
s1c2CCCCCCCCCCc2nc1NC(=O)CN(CCCC)CCCC	PC-id_30376678	407.656	LQGOGUUMJNFHCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118404
Clc1c(F)cc(NC(=O)C(=O)NC2C(N=C(N)N)CCCc3[nH]cnc23)cc1	PC-id_78129351	407.83	WGENEBPXJXDIGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118405
Clc1c(F)cc(NC(=O)C(=O)N[C@@H]2[C@@H](N=C(N)N)CCCc3[nH]cnc23)cc1	PC-id_71603515	407.83	WGENEBPXJXDIGC-GXTWGEPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118406
CC(C)C(=O)NCCc1nnc2CCN(CCn12)C(=O)c1c(F)cccc1Cl	ChEMBL-DNDi_CHEMBL13752665,EMOLS-id_20415532,CoCoCo_1152594,MCULE-8688365000,ZINC22_11973721,PC-id_42324872	407.87	JWTNWRGFBPCPNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118407
Clc1c(C(=O)NCCC(=O)NCCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_55790608	407.87	YINNPSMNGQDTTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118408
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c1(NC(=O)c2ccc(cc2N(=O)=O)Cl)sc2c(CCCCCC2)c1C(=O)N	SPECS-id_AK-968/12162038,PC-id_1221568,TIMTEC601300,ZINC22_997024,CoCoCo_740436,EMOLS-id_2388789,ChEMBL-DNDi_CHEMBL6107973,MCULE-7172561937	407.871	ZQPJDKSPXZPMMM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118412
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Clc1c(C(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc([N+](=O)[O-])c1	PC-id_24503160	407.871	CGHSLAKUVHPZBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118419
Clc1c([N+](=O)[O-])cc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)cc1	PC-id_4190827	407.871	QJSHJTLMXXOCEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118420
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(F)ccc1	PC-id_5060297	407.886	IDRCQVKNFPFEJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118421
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(F)ccc1	PC-id_6260549	407.886	IDRCQVKNFPFEJM-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118422
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2ccc(c(Cl)c2)F)C1	MCULE-7799135802,EMOLS-id_323355827	407.889	HLSOYMBILOQKEZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-118423
Clc1ccc(NC(=O)Cn2cc3CCCCCc3n2)c(c1)C(=O)c1ccccc1	EMOLS-id_16087185,PC-id_20892426,CoCoCo_2192252,MCULE-8864913757	407.893	ZSRCYVQHFRDJNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118424
Clc1cc(NC(=O)NCCc2n3CCCCCc3nn2)ccc1OCCOC	PC-id_60554213	407.894	DXCFKGJPXMXLIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118425
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCCCC2)c1C(=O)OCC	SPECS-id_AK-968/11987451,ZINC22_995363,CoCoCo_1755050,TIMTEC569834,EMOLS-id_4087100,PC-id_1220352,MCULE-4155688558	407.911	YHIOVEFBZOKWNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118426
c1(NC(=O)C(C)Oc2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_2443677,TIMTEC147892,PC-id_2932415,MCULE-5599617768	407.911	FKRKKBXLMWKPQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118427
c1(NC(=O)COc2ccc(cc2C)Cl)sc2c(CCCCC2)c1C(=O)OC	BAS-02052774,PC-id_1137502,CHEMBL1439410,EMOLS-id_1363143,ZINC22_879606,MCULE-7445606422,CoCoCo_228697	407.911	JIHYUULZXWQSFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118428
c1(NC(=O)COc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)OCC	MCULE-6301567466,PC-id_3488796,ZINC22_2742269,TIMTEC262260,SPECS-id_AK-968/12162167,EMOLS-id_1094770,CoCoCo_5818051	407.911	KIFRERQQDRLVCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118429
c1(NC(=O)COc2ccc(Cl)cc2)sc2c(CCCCCC2)c1C(=O)OC	MCULE-5613391261,TIMTEC250814,ZINC22_672853,CoCoCo_5823781,SPECS-id_AK-968/15252553,EMOLS-id_2443104,PC-id_1012043	407.911	JVNKEFANUUXDSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118430
Clc1c(cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)c(OC)c1)C	PC-id_7352095	407.911	AQANEIULGGQNSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118431
Clc1cc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(OC)cc1	PC-id_4678053	407.911	GFCDUYORLYRREK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118432
Clc1cc(NC(=O)[C@@H](OC(=O)c2sc3CCCCCc3c2)C)c(OC)cc1	PC-id_7352002	407.911	YGPQGWLKLXGSAZ-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118433
Clc1cc(NC(=O)[C@H](OC(=O)c2sc3CCCCCc3c2)C)c(OC)cc1	PC-id_7352003	407.911	YGPQGWLKLXGSAZ-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118434
Clc1cc(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)C)c(OC)cc1	PC-id_16509422	407.911	YGPQGWLKLXGSAZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118435
COC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2	PC-id_2166302,CoCoCo_902635,ZINC22_2752497	407.911	FKRKKBXLMWKPQH-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118436
COC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2	PC-id_2166303,CoCoCo_902636,ZINC22_2752496	407.911	FKRKKBXLMWKPQH-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118437
CCCC(CC1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)F)CN)Cl	PC-id_143188981	407.913	BDSQCCXKKOZBOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118438
c1(NC(=O)CCC(=O)Nc2ccc(c(Cl)c2)OC)sc2c(CCCCC2)n1	EMOLS-id_335030831,MCULE-7588273696	407.914	GUZVUPCIGWHSGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118439
c1(NC(=O)CCC(=O)Nc2c(OC)ccc(Cl)c2)sc2c(CCCCC2)n1	MCULE-8726574731,EMOLS-id_335039272	407.914	ROMUIBBQBSENMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118440
ClC1C#CC=c2c(=C1)cc([nH]2)C(=O)NC1(CC1)C1CCN(CC1)S(=O)(=O)C	PC-id_144935973	407.914	WSEPIPLXVKTTHJ-UHFFFAOYSA-N	00100000100010000110100000000010000000000000000000000000	31-01-118441
Clc1c(NC(=O)CN(C(=O)CSc2n3CCCCCc3nn2)C)cccc1	PC-id_7877318	407.918	AFEHUSRPTPYAFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118442
Clc1c(C[NH2+]CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1	PC-id_2161432	407.934	AIZUFSQJWIXJFK-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-118443
CC(c1ccccc1)NC(=O)c1n[nH]c2c1CCCCC2Cc1cc(ccc1)Cl	PC-id_91510455	407.936	FBPJKTYKNWUCKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118444
Clc1cc(CC2CCCCc3c2[nH]nc3C(=O)N[C@@H](c2ccccc2)C)ccc1	PC-id_59687160,SCHEMBL14089789	407.936	FBPJKTYKNWUCKC-VTBWFHPJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118445
Clc1cccc(c1)C[C@H]1CCCCc2c1[nH]nc2C(=O)N[C@H](c1ccccc1)C	PC-id_59687158,SCHEMBL14259000	407.936	FBPJKTYKNWUCKC-QFBILLFUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118446
CC[N+]1(C)CCc2c(CC1)sc(c2C(=O)N)NC(=O)Nc1ccc(cc1)Cl	PC-id_118307372,SCHEMBL18220906	407.937	HSFGQQSQUHLPFG-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-118447
CC[N+]1(C)CCCc2c(C1)sc(c2C(=O)N)NC(=O)Nc1ccc(cc1)Cl	SCHEMBL18220899,PC-id_118307403	407.937	YMZUUVVTQIWIEF-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-118448
NC(=O)c1c(NC(=S)NC(=O)c2ccccc2Cl)sc2c1CCCCC2	ZINC22_32125368,PC-id_20166140	407.937	DOMFSAPISPSRIP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118449
NC(=O)c1c(NC(=S)NC(=O)c2cccc(Cl)c2)sc2c1CCCCC2	PC-id_20166144,ZINC22_32125125	407.937	LUBOQGLPCKHLNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118450
NC(=O)c1c(NC(=S)NC(=O)c2ccc(Cl)cc2)sc2c1CCCCC2	PC-id_20166148,ZINC22_32125334	407.937	UGDBJSCWNFEHGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118451
c1(c(Cl)c(nn1C)C)C(=O)NC(=S)Nc1sc2c(CCCCC2)c1C#N	TIMTEC186186,CoCoCo_5837214,ZINC22_1003179,MCULE-9396237579,PC-id_1226280,EMOLS-id_4087150	407.941	HBPMZJFNPYAVHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118452
c1(NC(=S)NC(=O)c2c(Cl)cnn2CC)sc2c(CCCCC2)c1C#N	ZINC22_2776258,TIMTEC313745,PC-id_4592811,EMOLS-id_4087152,CoCoCo_5837178,MCULE-9534969670	407.941	MNPWFPPGYQOSFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118453
NC[C@H](Cc1cccnc1)NC(=O)C1SCCCCn2c(CC1)c(Cl)cn2	SCHEMBL20925864,PC-id_138568043	407.961	RFDQZFBMWJKSKT-BUSXIPJBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-118454
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccc(Cl)s1	CoCoCo_4226130,PC-id_40741495,CoCoCo_4226129,ZINC22_8473868	407.98	MRYCHEFOUWWUBX-GFCCVEGCSA-N	00000000100100000100000000000010000000000000000000000000	31-01-118455
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccc(Cl)s1	ZINC22_8473866,CoCoCo_4226127,PC-id_40741493,CoCoCo_4226128	407.98	MRYCHEFOUWWUBX-LBPRGKRZSA-N	00000000100100000100000000000010000000000000000000000000	31-01-118456
Clc1ccc(CCNC(=S)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_9153616	407.98	ZLFCERZZYRKIKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118457
Clc1sc(CN(CCC(=O)Nc2sc3CCCCCc3c2C#N)C)cc1	PC-id_55382270	407.98	KNEBMCNMCLQWOS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-118458
Clc1sc(CN(C(C(=O)Nc2sc3CCCCCc3c2C#N)C)C)cc1	PC-id_16358657,MCULE-3652686205,EMOLS-id_11803195	407.98	MRYCHEFOUWWUBX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-118459
C[C@H]1[C@H](NS(=O)(=O)C2=CN(C(=C2O1)C(=O)NC3=CC(=C(C=C3)F)[N+]#[C-])C)CO	PC-id_165164749	408.09	NUIKCKBTSAFIRO-TVQRCGJNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118460
C[C@H]1C(NS(=O)(=O)C2=CN(C(=C2O1)C(=O)NC3=CC(=C(C=C3)F)[N+]#[C-])C)CO	PC-id_165164752	408.09	NUIKCKBTSAFIRO-LLTODGECSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118461
C[C@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155258013	408.09	KADCKFZPSQHMRU-NOZJJQNGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118462
C[C@@H]([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155258014	408.09	KADCKFZPSQHMRU-ZANVPECISA-N	00000000100000110101000000000010000000000000000000000000	31-01-118463
CC(C)C1C=CC2=C(N(C=C2S(=NC)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_154991371	408.143	PZBPCTTXOWICDI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-118464
CN1C=C2C(=C1C(NC3=CC(=C(C=C3)F)F)O)C=C[C@@H](NS2(=N)=O)CC4CC4	PC-id_154991366	408.143	ROIMHFAXOKKAQH-OXDJXFDLSA-N	00100000100000110111000000000010000000000000000000000000	31-01-118465
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)F)CC[C@@H](NS2(=N)=O)CC4CC4	PC-id_154991292	408.143	ZHQDCJFSYPFZIS-OGMHVPHJSA-N	00100000100000110101000000000010000000000000000000000000	31-01-118466
Fc1cc(Br)c(cc1C(c1cc2c(s1)CCCCC2)Cl)Cl	PC-id_105399663	408.156	JCOVWHBBECTQTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118467
Brc1c2sc(CCCCCCCCCCCC2)c1Br	PC-id_10525488	408.235	VPKHKQWDHCJENA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118468
CCN1C=C(C=N1)NC2=NC=C3C(=C(N2)N[C@@H]4CC[C@@H](N(C4)C(=O)C=C)C)C=CN3	PC-id_155261472	408.239	ZGVVDASQDJRULI-LSDHHAIUSA-N	00000000100010000111000000000010000000000000000000000000	31-01-118469
CCOC(=O)c1c2-c(c(c1NC(=O)C)C(=O)OCC)ccc(cc2)Br	PC-id_54309480	408.243	SJWZYTXKMRIDMT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118470
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(CCCCC4)C(=N3)C(=O)C)C	PC-id_153600053	408.253	BBWRJUAZIBJQOW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118471
Cc1ccc(cc1)S(=O)(=O)c1c2-c(ccccc2)cc1I	PC-id_91269325	408.253	UXPDITDRDRBARH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-118472
Cn1c2CCN(CCc2sc1=O)C(=O)c1cc2ncc(Br)cn2n1	SCHEMBL15282795,PC-id_71748083,BindingDB_PC-id_71748083,BindingDB-id_300542	408.273	OGZNOTUYMHUJHG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118473
CN1C(=O)N(Cc2nnc3n2CCCCC3)C(=O)[C@H]1c1ccc(Cl)c(Cl)c1	PC-id_100637748,ZINC22_225451041	408.282	NYSQVWWFNWJJEY-MRXNPFEDSA-N	00000010100000110101100000000010000000000000000000000000	31-01-118474
CN1C(=O)N(Cc2nnc3n2CCCCC3)C(=O)[C@@H]1c1ccc(Cl)c(Cl)c1	PC-id_100637762,ZINC22_225451078	408.282	NYSQVWWFNWJJEY-INIZCTEOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-118475
O=C1N(C)C(C(=O)N1Cc1nnc2n1CCCCC2)c1ccc(c(c1)Cl)Cl	EMOLS-id_53801257,PC-id_119035505,MCULE-5640635764	408.282	NYSQVWWFNWJJEY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-118476
Brc1cc(oc1)C(=O)c1n2c(C(CCCC2)C(=O)OC(C)C)cc1C	SCHEMBL11197147,PC-id_20484042	408.286	CLSCKJVZXYOKMQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-118477
Brc1oc(C(=O)c2n3c(C(CCCC3)C(=O)OC(C)C)cc2C)cc1	SCHEMBL11206886,PC-id_20483724	408.286	HNUSIRZHDXTLFZ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-118478
COCCN1CCC(C(=O)c2c1nn(c2)Cc1ccc(cc1)OC)Br	SCHEMBL15303551,PC-id_86698368	408.29	AQMPDUNPOPRISP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118479
Brc1cn(CCC(=O)NCCc2n3CCCCCc3nn2)c(=O)cc1	PC-id_60559587	408.293	XDRRNWUTKIOPMS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-118480
Brc1oc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_46449515	408.293	MGBIFGKXGWHULH-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-118481
Brc1ccc(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_7352080	408.309	BXLVSTOVEPBWNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118482
Brc1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_16509456	408.309	SKUUBFJNWSDSOP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118483
Brc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1	PC-id_5059914	408.309	LTEWOZDVAFBPBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118484
Brc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_7352148	408.309	NEPFRSZLUFTUOK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118485
c1(NC(=O)c2cccc(Br)c2)sc2c(CCCCC2)c1C(=O)OC	SPECS-id_AK-968/12715030,PC-id_1009621,TIMTEC591200,ZINC22_669659,MCULE-9754696900,CoCoCo_6805420,EMOLS-id_4087360	408.309	ZFEJEXAPTXKFPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118486
c1(NC(=O)c2ccc(cc2)Br)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_2368417,MCULE-2640061974,PC-id_1358430,TIMTEC540553,CoCoCo_5815320,ZINC22_1200034	408.309	XAVLEHHUIJDGJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118487
Brc1ccc(cc1)C(=O)NCC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112808238	408.313	XBJROVXSMNJFNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118488
Brc1cc(C(=O)NNC(=O)c2sc3CCCCCCc3c2)cnc1	PC-id_24643156,GD-id_ZINC12697983	408.313	ZILWMTLFXSEUSE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-118489
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1ccc(s1)Br	PC-id_90625644	408.314	JDGWXHARVVBDEP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-118490
Clc1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cccc1Cl	PC-id_46692012	408.325	QAOSJEGSSUORKM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118491
CN=C(N(Cc1cc(cn1C)Br)C)NCc1nnc2n1CCCCC2	PC-id_109748771	408.339	PMZFOKOSMCCQQO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-118492
FC(F)(F)/C(=C(/c1n2CCCCCc2nn1)C#N)/OCC(=O)c1ccc(F)cc1	CoCoCo_3758714,CoCoCo_3758713,PC-id_6368061	408.35	KDWDJMMEHNXCNZ-VKAVYKQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-118493
FC(F)(F)C(=C(c1n2CCCCCc2nn1)C#N)OCC(=O)c1ccc(F)cc1	MCULE-5331815442,PC-id_3299568,EMOLS-id_26176011	408.35	KDWDJMMEHNXCNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118494
FC(F)(F)/C(=C(c1n2CCCCCc2nn1)/C#N)/OCC(=O)c1ccc(F)cc1	PC-id_5786709,CoCoCo_3758715,CoCoCo_3758712	408.35	KDWDJMMEHNXCNZ-SAPNQHFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-118495
c1(sc2c(CCCCC2)n1)NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	EMOLS-id_334605433,MCULE-1794247200	408.361	ZIAQIUGJBGMQOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118496
Clc1cc(ccc1Cl)c1ccc(s1)C[NH2+]Cc1nnc2n1CCCCC2	GD-id_ZINC47609580	408.368	BJEDLULVWBXMFO-UHFFFAOYSA-O	00000000100100110101100000000010000000000000000000000000	31-01-118497
C1Cn2cc(nc2OCCN1Cc1cccc(n1)c1ccc(cc1)C(=O)[O-])[N+](=O)[O-]	SCHEMBL14965897,PC-id_89580255	408.387	BAFACPBBKYEEBE-UHFFFAOYSA-M	00000000100000111101100000000010000000000000000000000000	31-01-118498
C1Cn2cc(nc2OCCN1Cc1cc(ncc1)c1ccc(cc1)C(=O)[O-])[N+](=O)[O-]	PC-id_89580560,SCHEMBL14966317	408.387	JTIJOQMKIHGJRQ-UHFFFAOYSA-M	00000000100000111101100000000010000000000000000000000000	31-01-118499
o1c(=O)c(C(c2c3-c(oc2=O)ccccc3)c2cc(ccc2)C=O)c2-c1ccccc2	PC-id_10573486	408.402	HSYIZEGKOQNKQV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-118500
o1c(=O)c(C(c2c3-c(oc2=O)ccccc3)c2ccc(cc2)C=O)c2-c1ccccc2	PC-id_10763952	408.402	BVPLBDIHOVYDAH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-118501
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OC[C@@H](NS2(=O)=O)[C@@H](O)C	SCHEMBL18353366	408.404	KADCKFZPSQHMRU-TVQRCGJNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118502
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OCC(NS2(=O)=O)[C@@H](O)C	PC-id_140762601	408.404	KADCKFZPSQHMRU-LLTODGECSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118503
OCC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C#N)F)C	SCHEMBL18352960	408.404	DDBCEDHPOSQFIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118504
OC[C@H]1NS(=O)(=O)c2c(O[C@H]1C)c(n(c2)C)C(=O)Nc1ccc(c(c1)C#N)F	SCHEMBL18353502	408.404	QYCOGIWWLGFHLU-TVQRCGJNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118505
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1ccc(cc1)C(=O)O)[N+](=O)[O-]	PC-id_89579847,SCHEMBL14965368	408.407	FYIPGXIJFAKLTE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118506
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1cc(ccc1)C(=O)O)[N+](=O)[O-]	SCHEMBL14965626,PC-id_89579976	408.407	RCLWXVURLDQIRU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118507
O1CCN(CCn2c1nc([N+](=O)[O-])c2)C(=O)c1ccc(OCc2ccccc2)cc1	SCHEMBL14965827,PC-id_71570888	408.407	QILFNFMIEWZDRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118508
O1CCN(CCn2c1nc([N+](=O)[O-])c2)Cc1ccc(cc1)C(=O)Nc1cccnc1	PC-id_71570886,SCHEMBL14965858	408.411	PSBJAQTUBRKAEK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118509
s1c2c(CCCCC2)c(c1NC(=O)c1c(F)cccc1F)C(=O)NC(=O)OC	PC-id_7521891	408.419	PLTBZCCJBQDIAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118510
Nc1ccc(cc1SC(F)(F)F)S(=O)(=O)Nc1nnc2n1CCNCC2	PC-id_144151018	408.422	CHHVOZBXUWDGAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118511
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1)OC)c2)Cc1ccc(cc1)F	MCULE-4912693911,EMOLS-id_32632826,PC-id_53034494	408.426	ZRVSIXYLFSNYEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118512
Fc1ccc(cc1)CNC(=O)c1nn2c(c1OCc1ccccc1)C(=O)NCCC2	PC-id_69014568,SCHEMBL4356392	408.426	SGISXWCTHUIYSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118513
FC(F)(F)c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C3CC3)C)CC2)ccc1	PC-id_42340037	408.441	WHXRCAVIDMNPBX-CYBMUJFWSA-O	00100000100000110101000000000010000000000000000000000000	31-01-118514
FC(F)(F)c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C3CC3)C)CC2)ccc1	PC-id_42340038	408.441	WHXRCAVIDMNPBX-ZDUSSCGKSA-O	00100000100000110101000000000010000000000000000000000000	31-01-118515
FC(F)(F)c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)C3CC3)C)CC2)ccc1	PC-id_74844122	408.441	WHXRCAVIDMNPBX-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-118516
s1c2CCCCCCc2cc1C(=O)NCc1n2c(nn1)ccc(c2)C(F)(F)F	PC-id_24533222	408.441	MFIRKDNCEOSPBZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118517
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nc2c1cc(cc2)C	PC-id_19523681	408.441	VZSYSNDIPIQFJL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118518
COC(=O)Cc1ccc2-c(cc1)c(cc2C(=O)c1ccccc1)C(=O)c1ccccc1	PC-id_145992268	408.445	RXKKMYCWSNAWKH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-118519
CN=C(NCc1nnc2n1CCCCC2)NCc1cc(OC)ccc1OC(F)F	PC-id_109670659	408.446	ZEBKXQAYZGRISS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118520
CS(=O)(=O)CCC(=O)N1CCCn2ncc(C(=O)Nc3cccc(F)c3)c2C1	ZINC22_1565555219,EMOLS-id_313784976	408.447	BDKCMCKZNYKRJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118521
N#Cc1cc(ccc1F)NC(c1n(C)cc2c1CC[C@@H](NS2(=O)=O)[C@@H](O)C)O	PC-id_139471096,SCHEMBL21337091	408.447	YHWXTFYOEZPXEC-UTEXHPTLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118522
Cc1c(c(no1)c1ccccc1)CN1CC(Cn2cc(cc2C1=O)C(=O)NO)(C)C	PC-id_88894970,SCHEMBL12234600	408.45	ZRPWMBDCQFDWKV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118523
COc1c(cc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)Nc1cnccc1)OC	PC-id_134808967	408.45	UHIOTAXJOGUIMW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118524
COc1ccc(C(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)c(OC)c1	EMOLS-id_239612448,MCULE-7895458427	408.45	DHBWTPWNGCEVCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118525
c1(cc(on1)CCC)C(=O)N1CCn2c(CC1)nnc2CNC(=O)c1ccccc1	PC-id_42166682,CoCoCo_1165203,MCULE-6857062027,EMOLS-id_20424697,ZINC22_11786439	408.454	KJKLLVMJMLBERW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118526
c1(cn2c(cc(cc2)C)n1)C(=O)N1CCCn2c(cc(n2)C(=O)N2CCOCC2)C1	PC-id_50949292,EMOLS-id_32370172,ZINC22_65371114,MCULE-5570055025	408.454	SUJABHVJARNYFJ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-118527
CCc1cc(=O)[nH]c(n1)c1cc(ccc1)NC(=O)Cn1c(=O)n2CCCCCc2n1	PC-id_136154833	408.454	BJWDBKQHPMTZGV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118528
COc1cccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c1O	ZINC22_23339831,PC-id_31018193,EMOLS-id_20575585,MCULE-2967765152,CoCoCo_1381733,CoCoCo_1381732	408.454	QWGJMPVOCIWBMV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118529
COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c(O)c1	ZINC22_19225398,EMOLS-id_20590953,ChEMBL-DNDi_CHEMBL48285052,PC-id_28099555,MCULE-5657786603	408.454	XYJJDTDGPXAAJI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118530
N#C[C@@H](c1nnc2n1CCCCC2)C(=O)C1CCN(CC1)c1ccccc1[N+](=O)[O-]	GD-id_ZINC41510096	408.454	JAMKXRSFNUILEC-MRXNPFEDSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118531
O=C1[C@@H](NC(=O)c2nnc(o2)Cc2ccccc2)C[C@@H](c2c(N1C)n(C)c(n2)C)C	SCHEMBL19228529	408.454	LJPMMSKZAXDUSZ-WFASDCNBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118532
O=C1[C@@H](NC(=O)c2nnc(o2)Cc2ccccc2)C[C@@H](c2c(N1C)nc(n2C)C)C	SCHEMBL19228542	408.454	SEXTVZWZFPLMNB-WFASDCNBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118533
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1ccc(N(CC)CC)cc1	PC-id_19527292	408.46	SMHLLSOCUZXFOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118534
CCNC(=NCc1cccc(c1)C(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111268347	408.464	VBLUYHMXVRHTSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118535
CCNC(=NCc1ccc(cc1)C(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111420565	408.464	RPJYJWKXZIFSIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118536
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)C(F)(F)F)C	PC-id_111299941	408.464	FZVJQHLXATUMJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118537
CN=C(NCc1cccc(c1)C(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111268461	408.464	AGHUDNPFIJNART-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118538
CN=C(NCc1ccc(cc1)C(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111421147	408.464	LJEZINIQQTYUGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118539
Cn1c2CCN(CCc2nc1C(=O)NCc1cccs1)C(=O)C1CC(F)(F)C1	EMOLS-id_313767631,ZINC22_1565555495	408.465	BTWXAETYIQPYIW-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-118540
OC(=O)c1ccc(cc1)OCCOCCOCC1(C)COc2c(OC1)csc2	PC-id_122389461	408.465	OXSIDBFTWVPPQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118541
C1CN(CCn2c1ncc2C(=O)NCCOc1ccccc1)Cc1ccc(cc1)F	PC-id_134807969	408.469	NXJCWOFGTOGGAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118542
CCc1ccc(NC(=O)C2CCCCc3nn(Cc4cccc(F)c4)c(=O)n23)cc1	EMOLS-id_207869535,MCULE-1449347533	408.469	WAEBRMFDFSUGFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118543
Fc1cccc(Cn2nc3CCCCC(C(=O)NCCc4ccccc4)n3c2=O)c1	MCULE-2050177802,EMOLS-id_207869472	408.469	QEJQVSDCMMUZIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118544
Fc1cc(C[C@@H]2CCn3nncc3COC[C@H](NC2=O)Cc2ccccc2)ccc1	PC-id_71759093	408.469	QTXXKURAEDZEAL-PZJWPPBQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118545
Fc1cc(C[C@H]2CCn3nncc3COC[C@H](NC2=O)Cc2ccccc2)ccc1	PC-id_71759105	408.469	QTXXKURAEDZEAL-TZIWHRDSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118546
Fc1cc(C[C@H]2CCn3nncc3COC[C@@H](NC2=O)Cc2ccccc2)ccc1	PC-id_71759946	408.469	QTXXKURAEDZEAL-CTNGQTDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118547
Fc1cc(C[C@@H]2CCn3nncc3COC[C@@H](NC2=O)Cc2ccccc2)ccc1	PC-id_71760754	408.469	QTXXKURAEDZEAL-FPOVZHCZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118548
Fc1cc(C[C@@H]2CCn3nnc(COC[C@@H](NC2=O)Cc2ccccc2)c3)ccc1	PC-id_71759363	408.469	XYBJQDHELIASLV-FPOVZHCZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118549
Fc1cc(C[C@H]2CCn3nnc(COC[C@@H](NC2=O)Cc2ccccc2)c3)ccc1	PC-id_71759561	408.469	XYBJQDHELIASLV-CTNGQTDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118550
Fc1cc(C[C@@H]2CCn3nnc(COC[C@H](NC2=O)Cc2ccccc2)c3)ccc1	PC-id_71759663	408.469	XYBJQDHELIASLV-PZJWPPBQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118551
Fc1cc(C[C@H]2CCn3nnc(COC[C@H](NC2=O)Cc2ccccc2)c3)ccc1	PC-id_71760729	408.469	XYBJQDHELIASLV-TZIWHRDSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118552
Cc1c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)oc2ccccc12	ZINC22_2618464,EMOLS-id_3245686,MCULE-9520872697,CoCoCo_2842567,PC-id_2080342	408.47	IDXGYHGJVWBGGV-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-118553
COC(=O)c1ccc(cc1)Cn1cc(c2=CCCCC=c12)/C=C/1SC(=O)NC1=O	PC-id_143165623	408.47	BWDKLBHYNGAUDH-ODLFYWEKSA-N	00000010100000110111000000000010000000000000000000000000	31-01-118554
OCC1CC(O)CC(O1)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)(C)C)P	PC-id_144227082	408.47	LZVMPJRRDNRGGY-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-118555
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1oc2c(c1)cccc2)C)C#N	PC-id_8289173	408.47	BBBKFNUTUURESZ-ZDUSSCGKSA-N	00000000100000100100000001000010000000000000000000000000	31-01-118556
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1oc2c(c1)cccc2)C)C#N	PC-id_8289174	408.47	BBBKFNUTUURESZ-CYBMUJFWSA-N	00000000100000100100000001000010000000000000000000000000	31-01-118557
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1oc2c(c1)cccc2)C)C#N	PC-id_78655652	408.47	BBBKFNUTUURESZ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-118558
Cc1cccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)n1	PC-id_29150061,ZINC22_20775394,MCULE-1459675115,EMOLS-id_20508729	408.472	HGPPAQQMRUIXKJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118559
COc1ccc(OC)c(c1)S(=O)(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-9563889868,EMOLS-id_55716818	408.472	ARMGETATTPTBCK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-118560
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4cccnc4)CCn23)cc1	PC-id_29088221,CoCoCo_1273785,EMOLS-id_20501643,CoCoCo_1273786,ZINC22_20600998,MCULE-3998822861	408.472	RPIPNDHEJUJJGV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118561
Fc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1	ZINC22_12211080,CoCoCo_1273654,MCULE-3370030781,PC-id_42466974,ChEMBL-DNDi_CHEMBL28134233,EMOLS-id_20501577,CoCoCo_1273655	408.472	CVWLVNAFGIUPKT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118562
S(=O)(=O)(CCOc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1)C	PC-id_56326067	408.472	BBFFOGOAHGBPTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118563
COc1ccc(cc1)CNc1nc2c(s1)C(=O)N(CC(=O)N2)Cc1ccccc1	PC-id_142739090	408.473	MYTJAVOFRJICQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118564
COc1cccc(c1)NC(=O)c1nc2c(s1)CCN(CC2)C(=O)c1ccncc1	PC-id_97524651	408.473	ZPBMSIIDKHLUSE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118565
N#Cc1c(NC(=O)COC(=O)Cn2cnc3ccccc23)sc2c1CCCCC2	CoCoCo_3784411,PC-id_5212081,EMOLS-id_48983336,MCULE-3308128481,ZINC22_5658614	408.473	QCNGKULJLILPKX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118566
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(c(oc1C)n1cccc1)C#N	PC-id_24654693	408.473	XTCCWDXWLOQUCM-UHFFFAOYSA-N	00000000111000000100100000000010000000000000000000000000	31-01-118567
s1c2c(CCCCC2)c(c1N=Cc1n(c2ccc([N+](=O)[O-])cc2)ccc1)C(=O)N	PC-id_24021275	408.473	UBOLURHBOATJSY-UHFFFAOYSA-N	00000000110000110100100000000010000000000000000000000000	31-01-118568
COc1cccc(c1)C(=O)N1CCc2c(CC1)nc(s2)C(=O)Nc1ccncc1	PC-id_97442433	408.474	WSYOTWOERSCRJN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118569
COc1ccc(cc1)C(=O)N1CCc2c(CC1)nc(s2)C(=O)Nc1ccncc1	PC-id_97524663	408.474	YZVNVJIEILWTSI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118570
COc1cccc(c1)C(=O)N1CCc2nc(sc2CC1)C(=O)Nc1cccnc1	PC-id_97442442,ZINC22_96146918,EMOLS-id_44303804	408.474	DKSYOHANZFAQGO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118571
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)c2cccnc2)c1	ZINC22_96146892,PC-id_97442416,EMOLS-id_44303752	408.474	OJBJQMHQZLYRIW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118572
Oc1c(C[NH+]2CCn3c(nnc3CNC(=O)c3c(OC)cccc3)CC2)cccc1	PC-id_26280464	408.474	RDHFLBMOXBGFKS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-118573
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1cc2[nH]ncc2cc1)C)C#N	PC-id_33062342	408.474	RVLGXRWTCAISHY-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118574
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1cc2[nH]ncc2cc1)C)C#N	PC-id_33062346	408.474	RVLGXRWTCAISHY-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118575
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)CN(C1=O)c1ccccc1)C#N	PC-id_60519720	408.474	VCSBEOKDKFQXPV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-118576
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc2[nH]ncc2cc1)C)C#N	PC-id_74630285	408.474	RVLGXRWTCAISHY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118577
Cc1cccc(c1)c1nnc(o1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135702780	408.477	XWACFFSGFSUPDP-NXVVXOECSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118578
Cc1ccccc1c1nnc(o1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135702783	408.477	DKGUZUYSMSWOEJ-NXVVXOECSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118579
CCN1C(=CS/C/1=C(/c1nnc2n1CCCCC2)C#N)c1ccc(cc1)[N+](=O)[O-]	CoCoCo_3732295,PC-id_2317615	408.477	GOZKVJJHIJHSCB-CAPFRKAQSA-N	00000011100000110101100000000010000000000000000000000000	31-01-118580
CCN1C(=CSC1=C(c1nnc2n1CCCCC2)C#N)c1ccc(cc1)N(=O)=O	MCULE-3288080805,PC-id_3315509	408.477	GOZKVJJHIJHSCB-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-118581
CCN1C(=CS/C/1=C(c1nnc2n1CCCCC2)/C#N)c1ccc(cc1)[N+](=O)[O-]	PC-id_2317614,CoCoCo_3732294	408.477	GOZKVJJHIJHSCB-SILNSSARSA-N	00000011100000110101100000000010000000000000000000000000	31-01-118582
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1oc(nn1)c1cc(ccc1)C	PC-id_84865709	408.477	XBWHLRIHAZUKBF-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-118583
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1oc(nn1)c1c(cccc1)C	PC-id_84865763	408.477	FBDYMFXATYWJST-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-118584
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1oc(nn1)c1cc(ccc1)C	PC-id_8889560	408.477	XBWHLRIHAZUKBF-SDXDJHTJSA-N	00000011100000110111100000000010000000000000000000000000	31-01-118585
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1oc(nn1)c1c(cccc1)C	PC-id_8889701	408.477	FBDYMFXATYWJST-SDXDJHTJSA-N	00000011100000110111100000000010000000000000000000000000	31-01-118586
c1(csc2CCCCCc12)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F	CoCoCo_2171634,EMOLS-id_16062913,MCULE-7934712682,PC-id_20881898	408.48	QPXSMRUYSGEWCN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118587
Cc1ccc(cc1)n1c(nnn1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135707669	408.48	GXIWSCAQTIXZAM-NXVVXOECSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118588
Cc1ccccc1n1c(nnn1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135707690	408.48	GHMWFYFGTVBDEY-PEZBUJJGSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118589
Cn1c(nnc1SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O)c1ccncc1	PC-id_135721556	408.48	DISPIJADFDOVEF-PFONDFGASA-N	00000000100000101101100000000010000000000000000000000000	31-01-118590
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)c1cc(ccc1)C(F)(F)F	PC-id_18277009	408.48	FGWSNUSFFYOUHD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118591
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1n(c(nn1)c1ccncc1)C	PC-id_78702688	408.48	NUKCJSMHDIKAIL-UHFFFAOYSA-N	00000011100000101111100000000010000000000000000000000000	31-01-118592
S(CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N)c1n(c(nn1)c1ccncc1)C	PC-id_8459443	408.48	NUKCJSMHDIKAIL-NBVRZTHBSA-N	00000011100000101111100000000010000000000000000000000000	31-01-118593
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1n(nnn1)c1ccc(cc1)C	PC-id_78753347	408.48	IYAWMSCFOKKGEE-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-118594
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1n(nnn1)c1c(cccc1)C	PC-id_78753842	408.48	PCDAKLDZZNRKMD-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-118595
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1n(nnn1)c1ccc(cc1)C	PC-id_8684552	408.48	IYAWMSCFOKKGEE-SDXDJHTJSA-N	00000011100000110111100000000010000000000000000000000000	31-01-118596
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1n(nnn1)c1c(cccc1)C	PC-id_8686066	408.48	PCDAKLDZZNRKMD-JXAWBTAJSA-N	00000011100000110111100000000010000000000000000000000000	31-01-118597
O1C(C(O)C(O)C(O)C1CO)c1cc(C(c2cc3-c(c2)ccccc3)C)c(cc1)C	PC-id_77444970	408.487	KPDIDLAVIKDVTR-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-118598
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c(c3-c(c2)ccccc3)CC)ccc1	PC-id_72423627	408.487	KMALYFQQEFZAGV-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-118599
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(C(c2cc3-c(c2)ccccc3)C)c(cc1)C	PC-id_68264517,SCHEMBL12439595	408.487	KPDIDLAVIKDVTR-XILPJHNUSA-N	00000010100010110110100000000010000000000000000000000000	31-01-118600
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2c(c3-c(c2)ccccc3)CC)ccc1	BindingDB_PC-id_58786134,SCHEMBL14590111,PC-id_58786134	408.487	KMALYFQQEFZAGV-RXFVIIJJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-118601
OCC1CC(O)CC(O1)c1cc(Cc2cc3-c(c2)ccccc3)c(cc1OC)OC	PC-id_142858215	408.487	CTYCOEMNIAXEGL-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-118602
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1ccccc1	EMOLS-id_2104868,CoCoCo_699511,PC-id_1366623,ZINC22_1211857,MCULE-3783966474	408.488	IFOQCTGHSXXLRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118603
CCOC(=O)C1(CCCc2c(C1=O)ccs2)OS(=O)(=O)c1ccc(cc1)C	PC-id_136664352	408.488	HQNKJSBBGDJVNA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118604
Fc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2)C	SCHEMBL8798138,PC-id_57165374	408.488	BAKOSHKMHTUZDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118605
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(cc(F)cc2)C)cc1	PC-id_57272362	408.488	BBTSYXULYLWLLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118606
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(c(F)ccc2)C)cc1	PC-id_57281058	408.488	HJEVCHSXWRCYIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118607
o1nc(OC(C)C)c2c1C(CCC=C2C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)C	PC-id_44222135	408.489	UXHVMCBSACYWOI-WUJWULDRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-118608
o1nc(OC(C)C)c2c1C(CCC=C2CC(NC(=O)OC(C)(C)C)C(=O)OC)C	PC-id_74955805	408.489	UXHVMCBSACYWOI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-118609
S(=O)(=O)(c1c(S(=O)(=O)c2ccccc2)cc2-c1ccccc2)c1ccccc1	PC-id_85921020	408.49	AFQJAFIFSJYMNP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-118610
C=C[C@@H]1c2ccsc2CCN([C@@H]1C(=O)NO)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966474	408.492	BIOVVQPUFOTYIB-PBHICJAKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118611
COC(=O)c1ccc(cc1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_4261196,PC-id_17509990,MCULE-5150578681,EMOLS-id_16706369	408.492	ZTRSXJJDHHLTSG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118612
COC(=O)c1c(NC(=O)CS(=O)(=O)c2ccccn2)sc2c1CCCCC2	ZINC22_2325853186	408.492	GVARFRUYAOYYBJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-118613
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2ccccc2)cc1	PC-id_42501374	408.492	KSAGNDSBUFKSHF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-118614
Fc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(cccc3)C)C)CC2)cc1	PC-id_42237327	408.492	JVHHMMFMHPCJBI-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-118615
Fc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(cccc3)C)C)CC2)cc1	PC-id_42237329	408.492	JVHHMMFMHPCJBI-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-118616
Fc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(cccc3)C)C)CC2)cc1	PC-id_74784647	408.492	JVHHMMFMHPCJBI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-118617
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2c(cc(cc2)C)C)ccc1	PC-id_42346134	408.492	NLFUIPXCIHJCQI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-118618
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2cc(c(cc2)C)C)ccc1	PC-id_42356871	408.492	OBZHUORLYMSNTC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-118619
Fc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(cccc3)C)C)CC2)cccc1	PC-id_42340584	408.492	UFFGWYFWURJMPC-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-118620
Fc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(cccc3)C)C)CC2)cccc1	PC-id_42340585	408.492	UFFGWYFWURJMPC-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-118621
Fc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(cccc3)C)C)CC2)cccc1	PC-id_74844184	408.492	UFFGWYFWURJMPC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-118622
NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1	PC-id_2668547,EMOLS-id_43703907,MCULE-9986820826,CoCoCo_2861317,ZINC22_3551593	408.492	XMWDCTPLVGWDTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118623
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(ccc(c1)C(=O)O)C	PC-id_25680130	408.492	PFYGXEDDBLYSED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118624
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1)C(=O)OC	PC-id_31702422	408.492	SFTOISHDZHTNGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118625
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(cccc1)C(=O)OC	PC-id_8500353	408.492	BQWOYFRBHVBDFM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118626
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N)ccc1	PC-id_7351959	408.492	JFROVBJZKZIUPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118627
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1scc(n1)CC(=O)OC	PC-id_7649926	408.492	ZQPBNJIPFKKBKL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118628
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(cc1)C(=O)O	PC-id_24421466	408.492	MZKISULANCECEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118629
S(=O)(=O)(N1C(C(c2c(scc2)CC1)C=C)C(=O)NO)c1ccc(OC)cc1	PC-id_53683959	408.492	BIOVVQPUFOTYIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118630
S(=O)(=O)(N1C(Cc2sccc2C(C1)C=C)C(=O)NO)c1ccc(OC)cc1	PC-id_53736502	408.492	CRNZAWRJLJNBRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118631
S(=O)(=O)(N1[C@@H](Cc2sccc2[C@@H](C1)C=C)C(=O)NO)c1ccc(OC)cc1	PC-id_57008948	408.492	CRNZAWRJLJNBRQ-WBMJQRKESA-N	00000000100000110100000000000010000000000000000000000000	31-01-118632
S(=O)(=O)(N1[C@H]([C@H](c2c(scc2)CC1)C=C)C(=O)NO)c1ccc(OC)cc1	PC-id_53683960	408.492	BIOVVQPUFOTYIB-WMLDXEAASA-N	00000000100000110100000000000010000000000000000000000000	31-01-118633
C=C1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)/C=C/C(=O)OC(C)(C)C	PC-id_143189017	408.493	FXCNKJDAZNJVQP-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118634
CC/C=CC=C
/CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)CCC(=O)O	PC-id_143188795	408.493	HFZIAWJTABNZPW-GNTSWZRDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118635
CCNCCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1ccc(c2)OC	SCHEMBL13480213,PC-id_70917183	408.493	DYOLQVPXBNYDPA-LGMDPLHJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-118636
COc1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc(OC)c1O	EMOLS-id_20424341,ZINC22_19745109,MCULE-1119280502,CoCoCo_1164647,CoCoCo_1164646,PC-id_28312932	408.493	FRAXZBZWBANRNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118637
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)[C@]2(C)CC=CCC2)CCC3)cc1	ZINC22_1565555962	408.493	KQVMSYNQZMROKJ-HSZRJFAPSA-N	00000000100011110101000000000010000000000000000000000000	31-01-118638
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)[C@@]2(C)CC=CCC2)CCC3)cc1	ZINC22_1614940723	408.493	KQVMSYNQZMROKJ-QHCPKHFHSA-N	00000000100011110101000000000010000000000000000000000000	31-01-118639
COc1ccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)C2(C)CCC=CC2)cc1	EMOLS-id_313763273	408.493	KQVMSYNQZMROKJ-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-118640
N#CC(c1ccc(cc1)C(c1ccc2-c1ccccc2)c1ccc2-c1ccccc2)C#N	PC-id_102462731	408.493	GMLCEGAREXDDNA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-118641
N#CC(=C/C=C/C(=C(c1ccc2-c1ccccc2)c1ccc2-c1ccccc2)C=C)C#N	PC-id_102462727	408.493	WSUOUTULRFMNMY-UKTHLTGXSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118642
N#C/C(=C(Nc1ccc(cc1)C(=O)N(C)C)/[O-])/C(=O)c1cc2c(s1)CCCCC2	GD-id_ZINC51473632	408.493	SCKVPMSPDRWFQB-FXBPSFAMSA-M	00000000100000110100000000000010000000000000000000000000	31-01-118643
o1c(C(=O)NCCc2n3CCCCCc3nn2)ccc1COc1c(cc(cc1)C)C	PC-id_60566940	408.493	BDSGZZZDLHELDR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-118644
Oc1n2c(nc1C(c1nc3n(CCCCC3)c1O)c1ccc(O)cc1)CCCCC2	PC-id_4251036	408.493	ISPFTHZLYUFDAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118645
O=C1N(CCCc2[nH]c(c(c12)C)C=C1c2c(NC1=O)cc(OC)cc2)CCNCC	PC-id_77953844	408.493	DYOLQVPXBNYDPA-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-118646
O=C(Cn1cnc2c1C(=O)CC(C)C(=O)C(C2)C)Nc1ccc(cc1)N1CCCC1	SCHEMBL19392360	408.493	VAIWFFUPEJGGBL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-118647
CCC(=O)Nc1cc(c(cc1)S(=O)(=O)Nc1nc2c(s1)C(=O)NCCC2)C	PC-id_90625677	408.495	NDKOZRXUYPIJDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118648
COC(=O)c1c(sc2c1CCCCC2)NC(=O)CSc1nc(cc(=O)[nH]1)N	PC-id_135517870	408.495	PUZVTOONDFYZFY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-118649
CS(=O)(=O)CCC(=O)N1CCc2nc(C(=O)N=c3cc[nH]cc3)sc2CC1	EMOLS-id_313727446,ZINC22_1565555466	408.495	IMRBIHYCEBVTKV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-118650
NNC(=O)c1c(NC(=O)NS(=O)(=O)c2ccccc2)sc2c1CCCCC2	PC-id_24204388,NSC731659,CHEMBL573057	408.495	OEOJRNQLBGYGKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118651
c1(cc2c(cccc2)n1C)C(=O)N1CCn2c(CC1)nnc2CCNC(=O)C(C)C	MCULE-8648229464,EMOLS-id_232772414,ZINC22_12079836,PC-id_42398631	408.497	SDBKJGIILXRVPQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-118652
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccco3)CCn12	MCULE-6003030482,PC-id_45220078,EMOLS-id_20614907	408.497	QUDITHMXPZQSRL-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-118653
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccoc3)CCn12	PC-id_45246689,MCULE-2614096766,EMOLS-id_20724907	408.497	QTTBCSSVNVGYBX-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-118654
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(CCn12)C(=O)C1=CCCC1	EMOLS-id_20724485,PC-id_45246567,MCULE-8446074456	408.497	GKDWUHVVZNMJRG-UHFFFAOYSA-N	00000011100000101101000000000010000000000000000000000000	31-01-118655
Cc1c(c(ccc1)C)NC(=O)CN(C)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135552931	408.497	PGQXAWZPPNJRHI-ZCXUNETKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118656
Cc1ccc(o1)[C@H](CCN1CCn2c(CC1)nnc2CNC(=O)c1ccccn1)C	CoCoCo_1236590,CoCoCo_1236592	408.497	JMRZWNUUYJBBMM-INIZCTEOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-118657
Cc1ccc(o1)[C@@H](CCN1CCn2c(CC1)nnc2CNC(=O)c1ccccn1)C	CoCoCo_1236593,CoCoCo_1236591	408.497	JMRZWNUUYJBBMM-MRXNPFEDSA-N	00000000101000101101000000000010000000000000000000000000	31-01-118658
Cc1ccc(o1)CN1CCn2c(CC1)nnc2[C@@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1309085,CoCoCo_1309084	408.497	BEGCTBANFRNARH-HXUWFJFHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-118659
Cc1ccc(o1)CN1CCn2c(CC1)nnc2[C@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1309086,CoCoCo_1309087	408.497	BEGCTBANFRNARH-FQEVSTJZSA-N	00000000101000101101000000000010000000000000000000000000	31-01-118660
CCc1ccccc1NC(=O)CN(C)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135552914	408.497	FRFYNVMAALOJSY-ZPHPHTNESA-N	00000000100000110101000000000010000000000000000000000000	31-01-118661
CCc1ccc(o1)CN1CCc2n(CC1)c(nn2)CNC(=O)CCc1cccnc1	ChEMBL-DNDi_CHEMBL14123072	408.497	WNVYHOXIYZBLGZ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-118662
CCC(c1nnc2n1CCCCC2)NC(=O)c1cnn(c1C)c1ccccc1OC	PC-id_138992088,EMOLS-id_320325590,MCULE-4569608624	408.497	QDUXAJXRDKDRRS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118663
CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccco1)CC2	CoCoCo_1440408,ZINC22_14958453,CoCoCo_1440409	408.497	QUDITHMXPZQSRL-LJQANCHMSA-N	00000000101000101101000000000010000000000000000000000000	31-01-118664
CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccco1)CC2	CoCoCo_1440410,ZINC22_14958457,CoCoCo_1440411	408.497	QUDITHMXPZQSRL-IBGZPJMESA-N	00000000101000101101000000000010000000000000000000000000	31-01-118665
CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccoc1)CC2	ZINC22_14999815,CoCoCo_1608847,CoCoCo_1608846	408.497	QTTBCSSVNVGYBX-LJQANCHMSA-N	00000000101000101101000000000010000000000000000000000000	31-01-118666
CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccoc1)CC2	ZINC22_14999818,CoCoCo_1608849,CoCoCo_1608848	408.497	QTTBCSSVNVGYBX-IBGZPJMESA-N	00000000101000101101000000000010000000000000000000000000	31-01-118667
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)C1=CCCC1)CC2	PC-id_26355205,ZINC22_14999445,CoCoCo_1608104	408.497	GKDWUHVVZNMJRG-LJQANCHMSA-N	00000011100000101101000000000010000000000000000000000000	31-01-118668
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)C1=CCCC1)CC2	PC-id_26355208,ZINC22_14999448,CoCoCo_1608103	408.497	GKDWUHVVZNMJRG-IBGZPJMESA-N	00000011100000101101000000000010000000000000000000000000	31-01-118669
CC[C@H](NC(=O)c1cnn(c2ccccc2OC)c1C)c1nnc2n1CCCCC2	ZINC22_409791413	408.497	QDUXAJXRDKDRRS-KRWDZBQOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118670
CC[C@@H](NC(=O)c1cnn(c2ccccc2OC)c1C)c1nnc2n1CCCCC2	ZINC22_409791418	408.497	QDUXAJXRDKDRRS-QGZVFWFLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118671
CN(c1ccc(cc1)CN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccco1)C	ChEMBL-DNDi_CHEMBL61266410	408.497	PICUGIHBBTZIGR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-118672
COc1ccccc1N1CCN(CC1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135553082	408.497	FFGRCFDDMXTDCN-ZPHPHTNESA-N	00000000100010110101100000000010000000000000000000000000	31-01-118673
COc1ccc(cc1)N1CCN(CC1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135779717	408.497	LPVNYSFOAOOZRR-VXPUYCOJSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118674
COc1cccc(c1)N1CCN(CC1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135779745	408.497	RQPMRVVGILLQDY-VXPUYCOJSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118675
N#Cc1ccccc1NC(=O)CCCC(=O)NCCCc1nnc2n1CCCCC2	ZINC22_89809530,PC-id_71913885,MCULE-2019686474,EMOLS-id_45680861	408.497	ZLGGTRQAFHHVLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118676
o1c(C(CCN2CCn3c(nnc3CNC(=O)c3ncccc3)CC2)C)ccc1C	PC-id_45187960	408.497	JMRZWNUUYJBBMM-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-118677
o1c(CN2CCn3c(nnc3CC2)C(NC(=O)c2ncccc2)C(C)C)ccc1C	PC-id_45199415	408.497	BEGCTBANFRNARH-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-118678
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(Cn2c(ncc2)C(C)C)ccc1	PC-id_55858830	408.497	ZDZCXRAACWUBEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118679
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(Cn2nc(cc2C)C)ccc1	PC-id_55855293	408.497	OYKWXKPZCHRBGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118680
O=c1n2CCCCCc2nn1CC(=O)NCCc1ccc(n2nc(cc2C)C)cc1	PC-id_55716020	408.497	ZCYLFOYBIULSEH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118681
O=c1n2CCCCCc2nn1CC(=O)NCCCc1c(nn(c1)c1ccccc1)C	PC-id_55721964	408.497	MLBQVMFBRFAZED-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118682
O=c1n2CCCCCc2nn1CC(=O)N(CCCc1[nH]nc(c1)c1ccccc1)C	PC-id_55971429	408.497	BIEULHSYAMMDQG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118683
O=c1n(Cc2ccc(Cn3nc4n(c3=O)CCCCC4)cc2)nc2n1CCCCC2	CoCoCo_4406357,MCULE-9509740019,ZINC22_9417859,PC-id_16340767,EMOLS-id_11783605	408.497	GKEIXVACQOLSRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118684
O=C(C(=C1N2CCCCCC2=NN1)C#N)CN(CC(=O)Nc1c(cccc1C)C)C	PC-id_84837800	408.497	JLRWKVSSACMJCG-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-118685
O=C(/C(=C
/N2CCCCCC2=NN1)/C#N)CN(CC(=O)Nc1c(cccc1C)C)C	PC-id_8793725	408.497	JLRWKVSSACMJCG-OQKWZONESA-N	00000011000000110111000000000010000000000000000000000000	31-01-118686
O=C(C(=C1N2CCCCCC2=NN1)C#N)CN(CC(=O)Nc1c(CC)cccc1)C	PC-id_84836962	408.497	DAMBHTIVPBAWOZ-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-118687
O=C(/C(=C
/N2CCCCCC2=NN1)/C#N)CN(CC(=O)Nc1c(CC)cccc1)C	PC-id_8789353	408.497	DAMBHTIVPBAWOZ-OQKWZONESA-N	00000011000000110111000000000010000000000000000000000000	31-01-118688
O=C(CCc1nnc(o1)c1ccc(cc1)C)NCCCc1nnc2n1CCCCC2	PC-id_86884604	408.497	PGROZTINACDWFU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118689
O=C(CN1CCN(CC1)c1ccc(OC)cc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78700522	408.497	OQCMSYOYOLMZNT-UHFFFAOYSA-N	00000011000010110111100000000010000000000000000000000000	31-01-118690
O=C(CN1CCN(CC1)c1ccc(OC)cc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8449004	408.497	OQCMSYOYOLMZNT-ZBJSNUHESA-N	00000011000010110111100000000010000000000000000000000000	31-01-118691
O=C(CN1CCN(CC1)c1cc(OC)ccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78700886	408.497	RIVJFKFYNKKVHN-UHFFFAOYSA-N	00000011000010110111100000000010000000000000000000000000	31-01-118692
O=C(CN1CCN(CC1)c1cc(OC)ccc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8450918	408.497	RIVJFKFYNKKVHN-ZBJSNUHESA-N	00000011000010110111100000000010000000000000000000000000	31-01-118693
O=C(CN1CCN(CC1)c1c(OC)cccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78639796	408.497	MJOQVWVUQXZYKA-UHFFFAOYSA-N	00000011000010110111100000000010000000000000000000000000	31-01-118694
O=C(CN1CCN(CC1)c1c(OC)cccc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8240050	408.497	MJOQVWVUQXZYKA-OQKWZONESA-N	00000011000010110111100000000010000000000000000000000000	31-01-118695
O=C(N1CCn2c(nnc2CCNC(=O)c2cccnc2)CC1)CC1=CCCCC1	PC-id_26343178	408.497	VZFQBXSAKOOGIK-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-118696
O=C(N1N=C(CC1)c1ccccc1)CCC(=O)NCCc1n2CCCCCc2nn1	PC-id_55534716	408.497	PCURVTYEWKRIGY-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-118697
O=C(NC(c1n2CCN(CCc2nn1)Cc1ccc(N(C)C)cc1)C)c1occc1	PC-id_45166237	408.497	IDIUYSARJTYOLS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-118698
O=C(NCCc1n2CCCCCc2nn1)C1=NN(C(=O)CC1)c1c(ccc(c1)C)C	PC-id_55535132	408.497	NELPQKSKVIPWPL-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-118699
O=C(NCCc1n2CCCCCc2nn1)CCC(=O)N(CCC#N)c1ccccc1	PC-id_56515851	408.497	RIIZEPGHFPFYOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118700
O=C(NCCc1n2CCCCCc2nn1)[C@@H](NC(=O)C)Cc1c2c([nH]c1)cccc2	PC-id_52181437	408.497	YYRSKBIRWCCMCR-IBGZPJMESA-N	00000000100000100101000001100010000000000000000000000000	31-01-118701
O=C(NCCc1n2CCCCCc2nn1)[C@H](NC(=O)C)Cc1c2c([nH]c1)cccc2	PC-id_52181438	408.497	YYRSKBIRWCCMCR-LJQANCHMSA-N	00000000100000100101000001100010000000000000000000000000	31-01-118702
O=C(NCCc1n2CCCCCc2nn1)C(NC(=O)C)Cc1c2c([nH]c1)cccc2	PC-id_60389509	408.497	YYRSKBIRWCCMCR-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-118703
O=C(NCCc1n2CCN(CCc2nn1)Cc1ccc(N(C)C)cc1)c1ccoc1	PC-id_28330762	408.497	CVQCIBNMWNBOLW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-118704
c1(NC(=O)CSc2c(C#N)cc(c(N)n2)C#N)sc2c(CCCCC2)c1C#N	CoCoCo_6351922,PC-id_16476874,EMOLS-id_7731318,MCULE-8684958413,ZINC22_18227781,SPECS-id_AN-153/I108687	408.5	MEPWPTQOSRCJIL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-118705
O=C(CCCn1nnc(n1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_86884587	408.5	LQYZMOOWTVCHPR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118706
O=C(NCCc1n2CCCCCc2nn1)C(n1nc(nn1)c1ccccc1)C(C)C	PC-id_60566908	408.5	KXIGULNDZSPXLM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118707
c1(c2CCCCCc2sc1NC(=O)COCC(=O)O)C(=O)NC1CCCCC1	PC-id_17377015,ZINC22_17088029,MCULE-7378514570,EMOLS-id_4087933,CoCoCo_6831886,TIMTEC313807	408.512	MNRQXZYOYGORTO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118708
CCOC(=O)N1CCC(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)CC1	EMOLS-id_43952391,MCULE-3118191040,PC-id_24475562,ZINC22_19314101,CoCoCo_4055590	408.512	QMGPXVOVCOAZPB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118709
s1c2c(CCCCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)OC)C(=O)OC	PC-id_8742595	408.512	OLOOTSIJMSGODG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118710
c1(c2CCCCCc2sc1N=Cc1ccc(C)o1)C(=O)Nc1ccc(cc1)OC	MCULE-1552006718,PC-id_3765702	408.513	WSOVCUWVKRGJSY-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-118711
c1(c2CCCCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccccc1CC	ZINC22_3671255,PC-id_3680701,EMOLS-id_2763572,TIMTEC366226,MCULE-5033724587,CoCoCo_1953361	408.513	OUHZIUQLEPBHIU-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-118712
c1(c2CCCCCc2sc1NC(=O)c1ccco1)C(=O)NC(C)c1ccccc1	EMOLS-id_2394570,PC-id_2894888,MCULE-5961271436,ChEMBL-DNDi_CHEMBL6370027	408.513	ISQCGTPGYSSRRN-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-118713
c1(NC(=O)c2ccc(cc2)C)sc2c(CCCCC2)c1C(=O)NCc1ccco1	MCULE-8862726348,CoCoCo_706172,ZINC22_2495430,PC-id_2871945,EMOLS-id_1116260	408.513	GUOIOEWTIQMXQV-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-118714
c1(NC(=O)c2cccc(C)c2)sc2c(CCCCC2)c1C(=O)NCc1ccco1	CK1732129,PC-id_1239138,GD-id_ZINC01024968,EMOLS-id_2385170,CoCoCo_731844,ZINC22_1024968,MCULE-3367377107,SPECS-id_AG-205/12835122	408.513	GUERPDPEJCEVPG-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-118715
C[C@@H](NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2)c1ccccc1	PC-id_2277381,ZINC22_1168363,CoCoCo_769261	408.513	ISQCGTPGYSSRRN-OAHLLOKOSA-N	00000000101000110100000000000010000000000000000000000000	31-01-118716
C[C@H](NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2)c1ccccc1	ZINC22_2976832,PC-id_1335130,CoCoCo_769262	408.513	ISQCGTPGYSSRRN-HNNXBMFYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-118717
COc1ccc(cc1)NC(=O)c1c(/N=Cc2ccc(o2)C)sc2c1CCCCC2	CoCoCo_6728541	408.513	WSOVCUWVKRGJSY-OYKKKHCWSA-N	00000000101000110100000000000010000000000000000000000000	31-01-118718
COc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2ccc(C)o2)cc1	PC-id_9634937,CoCoCo_6728540,ZINC22_4545633,EMOLS-id_46413553	408.513	WSOVCUWVKRGJSY-ZVHZXABRSA-N	00000000101000110100000000000010000000000000000000000000	31-01-118719
c1(NC(=O)CCC(=O)N2CCN(CC2)C(=O)OCC)sc2c(CCCCC2)n1	EMOLS-id_334794496,MCULE-3421952112	408.515	IRXQNMPRGFXFKY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118720
CCOc1ccc(S(=O)(=O)N(C)Cc2nnc3n2CCCCC3)cc1OCC	PC-id_40111110,CoCoCo_4490957,ZINC22_32876282,EMOLS-id_24975106,MCULE-9924294289	408.515	NNRJVKPKVMWTIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118721
c12C(=O)N(CCCn1nc(C(=O)NCCc1cccs1)c2)Cc1ccc(cc1)C	MCULE-9390021201,PC-id_50797962,EMOLS-id_32846162	408.517	FJRSFDWESNUZRR-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-118722
c12C(=O)N(CCCn1nc(C(=O)NCCc1cccs1)c2)Cc1cccc(C)c1	MCULE-9881959868,PC-id_53086403,EMOLS-id_32633242	408.517	OMIPEIXXECVDTN-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-118723
c1(c2CCCCCc2sc1NC(=O)c1ccnn1C)C(=O)Nc1ccccc1C	EMOLS-id_4087997,ZINC22_6789775,PC-id_17372189,TIMTEC415355,CoCoCo_6806845,MCULE-8770837387	408.517	QWYLTYISULUKHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118724
c1(c2CCCCCc2sc1NC(=O)c1ccnn1C)C(=O)Nc1cccc(C)c1	PC-id_17372198,EMOLS-id_4087987,ZINC22_6789226,CoCoCo_6806854,MCULE-3944329274,TIMTEC113836	408.517	CYPRAAQZMPJBFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118725
c1(c2CCCCCCc2sc1NC(=O)c1ccnn1C)C(=O)Nc1ccccc1	CoCoCo_6806841,MCULE-7831150329,PC-id_17372186,TIMTEC560321,ZINC22_6827575,EMOLS-id_4087995	408.517	XWWBENRNGSLRCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118726
Cc1ccccc1NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCOCC1	PC-id_89125920	408.517	GAMWNBHMPTXTFY-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-118727
Cc1ccc(cc1)S(=O)(=O)N1CCC/C=CCc2c1nnn2Cc1ccccc1	PC-id_102324346	408.517	KWGKBKLPBNBWEO-UQCOIBPSSA-N	00000000100000110111000000000010000000000000000000000000	31-01-118728
Cc1ccc(Oc2ccccc2NC(=O)CSc2nnc3n2CCCCC3)cc1	ZINC22_12001844,PC-id_42346491,EMOLS-id_44015843,CoCoCo_4417180,MCULE-2528321832	408.517	FALFUALFBAIQBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118729
COc1cccc(c1)NC(=O)C(c1ccccc1)Sc1nnc2n1CCCCC2	PC-id_16291047,MCULE-7655996337,EMOLS-id_3593582	408.517	QVDBBQLMYDJKLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118730
COc1cccc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1	PC-id_7876642,ZINC22_6097041,CoCoCo_3081381	408.517	QVDBBQLMYDJKLW-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118731
COc1cccc(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1	PC-id_7876644,ZINC22_6097044,CoCoCo_3081382	408.517	QVDBBQLMYDJKLW-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118732
COc1ccc(NC(=O)c2ccc(CSc3nnc4n3CCCCC4)cc2)cc1	MCULE-6777910007,CoCoCo_3854831,PC-id_9389944,EMOLS-id_11758304,ZINC22_8262693	408.517	PGLPEERYQMBTAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118733
o1c(c2cc(C[NH+]3CCn4c(nnc4CCNC(=O)C(C)C)CC3)ccc2)ccc1	PC-id_26403762	408.517	OJPNYHUMIUXGNP-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-118734
o1c(c2cc(C[NH+]3CCn4c(nnc4CNC(=O)C(CC)C)CC3)ccc2)ccc1	PC-id_74843846	408.517	KEUPUIHWBWIJLH-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-118735
o1c(c2cc(C[NH+]3CCn4c(nnc4CNC(=O)[C@@H](CC)C)CC3)ccc2)ccc1	PC-id_42331362	408.517	KEUPUIHWBWIJLH-QGZVFWFLSA-O	00000000101000110101100000000010000000000000000000000000	31-01-118736
o1c(c2cc(C[NH+]3CCn4c(nnc4CNC(=O)[C@H](CC)C)CC3)ccc2)ccc1	PC-id_42331366	408.517	KEUPUIHWBWIJLH-KRWDZBQOSA-O	00000000101000110101100000000010000000000000000000000000	31-01-118737
o1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)ccc1C	PC-id_42423115	408.517	KFKCGYAQBWHEFJ-GOSISDBHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118738
o1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)ccc1C	PC-id_42423118	408.517	KFKCGYAQBWHEFJ-SFHVURJKSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118739
o1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)ccc1C	PC-id_74802025	408.517	KFKCGYAQBWHEFJ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118740
O=C(c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1ccccc1C)N1CCOCC1	SCHEMBL13591964	408.517	GAMWNBHMPTXTFY-WYLVAKMRSA-N	00000000100010110111000000000010000000000000000000000000	31-01-118741
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1occc1)C)C(C)C	PC-id_74498858	408.517	MLEGMBISNWCRQK-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-118742
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1c(cc(cc1)C)C)c1c(oc(c1)C)C	PC-id_42275023	408.517	YFBSHFZMXOPPDZ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118743
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1cc(c(cc1)C)C)c1c(oc(c1)C)C	PC-id_42327382	408.517	MGMPZDBXQLTGMN-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118744
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)c1c(oc(c1)C)C	PC-id_42340932	408.517	ZPCRCIGUUXKJEA-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118745
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1c(ccc(c1)C)C)c1c(oc(c1)C)C	PC-id_42397335	408.517	YJCBKUSFXYWKHF-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118746
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)C)c1occc1	PC-id_74495809	408.517	MSPREXONPCFQPL-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118747
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccccc1)CC(C)C)c1occc1	PC-id_74787058	408.517	ZPINOFVFIKJHCG-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118748
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)C)c1occc1	PC-id_74799439	408.517	ORXZERWSJWWWKB-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118749
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1occc1)C)C(C)C	PC-id_26345312	408.517	MLEGMBISNWCRQK-KRWDZBQOSA-O	00000000101000110101100000000010000000000000000000000000	31-01-118750
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1occc1)C)C(C)C	PC-id_26345315	408.517	MLEGMBISNWCRQK-QGZVFWFLSA-O	00000000101000110101100000000010000000000000000000000000	31-01-118751
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)C)c1occc1	PC-id_26318562	408.517	MSPREXONPCFQPL-QGZVFWFLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118752
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)C)c1occc1	PC-id_26318565	408.517	MSPREXONPCFQPL-KRWDZBQOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118753
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccccc1)CC(C)C)c1occc1	PC-id_42275010	408.517	ZPINOFVFIKJHCG-LJQANCHMSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118754
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccccc1)CC(C)C)c1occc1	PC-id_42275012	408.517	ZPINOFVFIKJHCG-IBGZPJMESA-O	00000000101000110101000000000010000000000000000000000000	31-01-118755
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)C)c1occc1	PC-id_42364059	408.517	ORXZERWSJWWWKB-GOSISDBHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118756
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)C)c1occc1	PC-id_42364061	408.517	ORXZERWSJWWWKB-SFHVURJKSA-O	00000000101000110101000000000010000000000000000000000000	31-01-118757
s1c2CCCCCc2cc1C(=O)NN=Cc1n(n(c(=O)c1C)c1ccccc1)C	PC-id_78620793	408.517	QPROERYPXSWIBE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118758
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(n(nc1C)c1ccccc1)C	PC-id_9163629	408.517	HUJDRCWJPSHVHV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118759
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1cn(nc1)c1ccccc1	PC-id_24517370	408.517	GSJZWSHLTMYLLP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118760
s1c2c(CCCCC2)c(c1NC(=O)c1c(n(nc1)c1c(cccc1)C)C)C(=O)N	PC-id_55605003	408.517	MCIJCVPYOKFSGR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118761
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(n1nccc1)c1ccccc1	PC-id_56268483	408.517	VZKFBPAHYJIUAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118762
s1c2CCCCCCc2nc1NC(=O)C(=O)c1c(n(nc1C)c1ccccc1)C	PC-id_56022625	408.517	BYQJDHOTERUEGR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118763
S(c1n2CCCCCc2nn1)C(C)C(=O)Nc1ccc(Oc2ccccc2)cc1	PC-id_42985285	408.517	GFVILNUJRZRHKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118764
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(Oc2cc(ccc2)C)cc1	PC-id_24371243	408.517	HTEUNLBIMOZKAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118765
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(Oc2ccc(cc2)C)cc1	PC-id_7877533	408.517	FJDQJWBSGONFFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118766
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(OCc2ccccc2)cc1	PC-id_7877370	408.517	WEPIBICNZWRYCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118767
S=c1[nH]c(CC(=O)NN=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc(=O)[nH]1	PC-id_8424768	408.517	WYXIGFVTHZXXGR-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-118768
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1cccc2c1nsn2	EMOLS-id_29954331,PC-id_43001026,CoCoCo_3538142,MCULE-4071317253	408.518	HXJBYLLCUJPQPZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118769
c1(c2CCCCCc2n[nH]1)C(=O)N1CCCC1c1cccc(n1)Nc1sccn1	PC-id_110265196,MCULE-6377950300,EMOLS-id_198427,BDE-26590925	408.52	JZXAWDWAUXNXMG-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-118770
CSc1ccc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1	PC-id_29217046,ZINC22_20915418,MCULE-3503225365,EMOLS-id_232735968	408.52	VKCDFENKYRYZTK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-118771
CS/C(=C(c1c(C)nccc1N(C)C)/N=CNC1=Cc2cn[nH]c2C=CC1)/C=O	PC-id_143487388	408.52	SXCGUVLDRSRWJV-XUTLUUPISA-N	00000000100000101111000000000010000000000000000000000000	31-01-118772
o1nc(nc1c1ccc(cc1)C)C[NH+]1CCN(CC1)Cc1n2CCCCCc2nn1	PC-id_51946657	408.52	VPJSZDPAGPDAEM-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-118773
O=C(c1[nH]nc2c1CCCCC2)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1	PC-id_95835341,ZINC22_72375402	408.52	JZXAWDWAUXNXMG-QGZVFWFLSA-N	00000010100000101101100000000010000000000000000000000000	31-01-118774
O=C(c1[nH]nc2c1CCCCC2)N1CCC[C@H]1c1cccc(Nc2nccs2)n1	ZINC22_72375401,PC-id_95835340	408.52	JZXAWDWAUXNXMG-KRWDZBQOSA-N	00000010100000101101100000000010000000000000000000000000	31-01-118775
O(CCCCCC)C(=O)c1c2-c(c(c1)C(=O)OCCCCCC)ccc(cc2)C#C	PC-id_86212112	408.53	KSUIWIRTCSOZRV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118776
Oc1ccc(C(=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)c2ccc(O)cc2)cc1	PC-id_85988144	408.531	HRODTDVOYMVYRT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-118777
s1c2c(CCCCCCCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)OC	PC-id_7303102	408.532	AEKWQQWHJISPRB-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-118778
s1c2c(CCCCCCCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)OCC	PC-id_7027699	408.532	KDOMMGRSVFMUFT-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-118779
CCCC1CCCCCCc2cc1c([nH]2)C=C1N=C(C=C1OC)[C@H]1OC=CC=C1O	PC-id_69854083,SCHEMBL6654750	408.533	YYANHKQJVZAKFW-DNIBEGIYSA-N	00000011100011000100100000000010000000000000000000000000	31-01-118780
O(C1=CC(=NC1=Cc1[nH]c2CCCCCCC(c1c2)CCC)C1OC=CC=C1O)C	PC-id_77729990	408.533	YYANHKQJVZAKFW-UHFFFAOYSA-N	00000011100011000100100000000010000000000000000000000000	31-01-118781
c1(sc2c(CCCCCC2)c1C(=O)N)NS(=O)(=O)c1ccc(cc1)OCC	EMOLS-id_4088101,ZINC22_6858490,MCULE-3698147924,TIMTEC369802,PC-id_997260,CoCoCo_5810250	408.535	OYFQWTPUSZVGRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118782
Cc1c2-c(c(cc2Cc2ccc(cc2)N=Nc2ccc(cc2)O)C)cc(cc1)C(C)C	PC-id_136828607	408.535	DGTUMFGENVEVDT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-118783
COC1=C(C(=C)c2c(C(=O)NCC=C1)scc2)C=CCNCCS(=O)(=O)C	PC-id_89682065	408.535	CAZOJYZBIWGUSR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-118784
CO/C/1=C(C=CCNCCS(=O)(=O)C)/C(=C)c2ccsc2C(=O)NC/C=C1	SCHEMBL15100100	408.535	CAZOJYZBIWGUSR-CUJHVXSZSA-N	00000000100000000110000000000010000000000000000000000000	31-01-118785
COC(=O)c1c(NC(=O)CSCc2c(C)noc2C)sc2c1CCCCC2	EMOLS-id_3438382,ZINC22_6650271,MCULE-3757539450,PC-id_8024469,CoCoCo_2893124	408.535	MQRAJHASUBXCGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118786
OCC1c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2CCCC1	PC-id_23001236,SCHEMBL6963057	408.535	OREOUGAGVUMKDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118787
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC	PC-id_8838815	408.535	FEBCHUGMSGAQNK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118788
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)c(OC)cc1	PC-id_9474004	408.535	WIPHWRSCDMNFBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118789
s1c2CCCCCCc2cc1C(=O)Nc1ccc(S(=O)(=O)N(OC)C)cc1	PC-id_55389503	408.535	XBWGHDJEWIUETK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118790
s1c2CCCCCCc2cc1C(=O)Nc1cc(OC)c(NS(=O)(=O)C)cc1	PC-id_40263265	408.535	OESBHIOVDUZXHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118791
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(OCC)cc1	PC-id_8482880	408.535	KYEITFOOFVSMHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118792
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)ccc(c1)C	PC-id_8517306	408.535	FCSVKUKCXSLTQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118793
S1C2(N(C(C1)C(=O)Nc1sc3c(CCCCC3)c1C(=O)OC)C(=O)CC2)C	PC-id_55697795	408.535	BXCMOQOWBJRPSL-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-118794
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCCCC1)c2)Cc1ccc(cc1)C	CoCoCo_2544531,EMOLS-id_16324660,MCULE-5204319931,PC-id_20964729	408.536	GIGLXXJOPNMQOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118795
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCCCC1)c2)Cc1cccc(C)c1	PC-id_53086381,EMOLS-id_32633100,MCULE-5030763163	408.536	YLBPTBKRUGDESP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118796
CCn1cc(c2c1C=CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)O)C	PC-id_22737939,SCHEMBL6781156	408.536	OGWMFFSQZHZZME-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-118797
CN1CCC(=NO)c2c(C1=O)n(cc2)CCCCN1CCC(CC1)c1ccccc1	PC-id_88403662,SCHEMBL9038631	408.536	FBXNJJPODZVVAJ-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-118798
CN1CCC(=O)c2c(C1=O)n(CCCCCN1CCN(CC1)c1ccccc1)cc2	PC-id_20085234,SCHEMBL9266055	408.536	YWBKSMYCIGUJKG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118799
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCN(CC1)Cc1ccccc1)cc2	PC-id_20085239,SCHEMBL6988906	408.536	PGLZUJQOYLOEFI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118800
COc1ccccc1N1CCN(CC1)CCCN1CC=Cc2c(C1=O)c(C)cn2C	PC-id_22737935,SCHEMBL6775180	408.536	OGGGTZCGPPRPKJ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-118801
O=C1N(CCCCN2CCC(CC2)c2ccccc2)CC/C(=N/O)/c2c1n(cc2)C	PC-id_20083198,SCHEMBL6996686	408.536	WFLVASGPAJSWHB-LVWGJNHUSA-N	00000000100010110100100000000010000000000000000000000000	31-01-118802
O=C1N(CCCCN2CCC(CC2)c2ccccc2)CCC(N=O)c2c1n(cc2)C	PC-id_53881809	408.536	HKHSJXNRGHWGLE-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-118803
O=C1N(CCCCN2CCC(CC2)c2ccccc2)CCC(=NO)c2c1n(cc2)C	PC-id_73658799	408.536	WFLVASGPAJSWHB-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-118804
c1ccc(CCc2nnc3n2CCN(Cc2ccc(c4ccccc4)cc2)CC3)cc1	ZINC22_12281048,EMOLS-id_20558983,ChEMBL-DNDi_CHEMBL40447003,MCULE-7516794250,CoCoCo_1356994,PC-id_42500528,CoCoCo_1356993	408.538	HJWBCSXWWRNCQB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118805
c1(NC(=O)C(C)Sc2nncn2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4613861802,EMOLS-id_5479877,PC-id_4557470	408.538	SAPBOBBGGNWDMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118806
Cc1ccc(cc1)S(=O)(=O)NCCNC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825114	408.538	XECUUFTUHMNQDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118807
Cc1ccsc1S(=O)(=O)N1CCc2ncc(CNC(=O)C3CCC3)n2CC1	ZINC22_2055772617,EMOLS-id_313780936	408.538	FESIENDXEPZAKT-UHFFFAOYSA-N	00001000100100000101000000000010000000000000000000000000	31-01-118808
Cc1nn(C2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nc2CCCCCc2s1	MCULE-1339233518,EMOLS-id_44210684,EMOLS-id_49407552,PC-id_71707114,STOCK7S-33616	408.538	KYGLGNQJRGVVRU-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-118809
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nc2c(s1)CCCCC2	PC-id_96557771,ZINC22_79486608	408.538	KYGLGNQJRGVVRU-CYBMUJFWSA-N	00000010100000000101100000000010000000000000000000000000	31-01-118810
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)Nc1nc2c(s1)CCCCC2	PC-id_96557772,ZINC22_79486610	408.538	KYGLGNQJRGVVRU-ZDUSSCGKSA-N	00000010100000000101100000000010000000000000000000000000	31-01-118811
CCN(c1ccc(C(=O)CSc2nnc3n2CCCCC3)cc1)S(=O)(=O)C	MCULE-9403342270,PC-id_16378551,ZINC22_10213497,EMOLS-id_11837816,CoCoCo_3854832	408.538	GZMYRYRUOIUJTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118812
CCN(S(=O)(=O)C)c1ccc(cc1)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3854833,CoCoCo_3854836	408.538	RYJGYBLMDGVWDW-SSZFMOIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118813
CCN(S(=O)(=O)C)c1ccc(cc1)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3854835,CoCoCo_3854834	408.538	RYJGYBLMDGVWDW-DTQAZKPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118814
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nncn2C)sc2c1CCCCC2	CoCoCo_5021950,ZINC22_4263106,PC-id_7157584	408.538	SAPBOBBGGNWDMB-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-118815
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nncn2C)sc2c1CCCCC2	ZINC22_4263105,PC-id_7157583,CoCoCo_5021949	408.538	SAPBOBBGGNWDMB-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118816
O=C(NCc1n[nH]c2c1CCCCC2)c1sccc1S(=O)(=O)N1CCCC1	MCULE-8595684317,EMOLS-id_222788677,ZINC22_670469709	408.538	JRMMDVFDJYXFOS-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-118817
O=S(=O)(c1cccc(CSc2nnc3n2CCCCC3)c1)N1CCOCC1	ZINC22_6098212,MCULE-8908862160,PC-id_7877437,CoCoCo_3082135,EMOLS-id_3609475	408.538	GVRINLHISGWAQB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118818
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)cnn1)C(=O)OC	PC-id_7675531	408.538	HHGYCLNFYNOCAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118819
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)C)C(=O)OC	PC-id_19715739	408.538	MEVJBAYYBIOOCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118820
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC)C)C(=O)OC	PC-id_19716339	408.538	RQGZTDDMMTVQGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118821
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C)C)C(=O)OCC	PC-id_19715699	408.538	BUONGNHVFVNYSV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118822
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C)cnn1)C(=O)OCC	PC-id_4524399	408.538	PQLBKPVMSUXQAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118823
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C)C)C(=O)OC	PC-id_19715669	408.538	AYKZIZAUZDXCIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118824
S(c1n2CCCCCc2nn1)CC(=O)Nc1sc(c(c1C(=O)OCC)C)C	PC-id_7876870	408.538	BWDPQWIFRLIJTB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-118825
S(c1n2CCCCCc2nn1)CC(=O)Nc1sc(cc1C(=O)OCC)CC	PC-id_7876985	408.538	ZPPNVZVWKMKPFR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-118826
CCNC(=NCc1oc2c(c1C)cccc2)NCCCc1nnc2n1CCCCC2	PC-id_111603275	408.54	WNFOGMQJVUYPSR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118827
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1cc2c(o1)cccc2)C	PC-id_111378145	408.54	ZACZMTHMHLSTGX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118828
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1cc2c(o1)cccc2)C	PC-id_111694818	408.54	DRQLSXYKIFEJFL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118829
s1c2CCCCCc2c(c1NC(=O)CSc1nc2CCCc2cc1C#N)C#N	PC-id_23888958	408.54	HQHRCWNHBSINGS-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-118830
CCNC(=NCc1nnc2n1CCCCC2)NCCCn1c(C)nc2c1cccc2	PC-id_111351998	408.543	PMDMFYSBSSHSST-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118831
CN=C(NCCc1nnc2n1CCCCC2)NCCCn1c(C)nc2c1cccc2	PC-id_111352096	408.543	PCSXCHHCLKHFKT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-118832
c1(C(=O)N(CC=C)CC=C)c2CCCCCc2sc1NC(=O)c1ccccc1C	EMOLS-id_8221315,CoCoCo_1745782,ZINC22_4568496,MCULE-4862624238,SPECS-id_AG-667/13587053,TIMTEC36351,ChEMBL-DNDi_CHEMBL3487-1250,PC-id_3899303	408.556	QLYLUWPXWSZGAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118833
C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2cc3c(s2)CCCCC3)C1	ZINC22_1875383138	408.556	IIESGEDVTXSEDH-DQMBHMMVSA-N	00001000100000110100100000000010000000000000000000000000	31-01-118834
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c1(NC(=S)NC(=O)c2cccs2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-7959519433,CoCoCo_6623114,ZINC22_18197275,PC-id_23728105,EMOLS-id_17069936	408.558	MVHFFGBKJLCMGV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-118836
c1(NC(=S)NC(=O)c2cccs2)sc2c(CCCCCC2)c1C(=O)OC	PC-id_1830184,EMOLS-id_2217752,CoCoCo_939702,MCULE-7200030822,STOCK3S-43746,ZINC22_2196157	408.558	DTYKAQRALRPUPP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-118837
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)N1CCN(CC1)C1CCCCC1	EMOLS-id_317416540,MCULE-1129473533	408.558	GKCFGPMOCBINEW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-118838
c1(NC(=O)CN2CCN(CC2)Cc2ccccc2)sc2c(CCCCC2)c1C#N	EMOLS-id_4272674,MS2_ST086372,CoCoCo_1980399,PC-id_1504193,MCULE-2454639235,CoCoCo_1980400,ZINC22_19359573	408.56	QKVSAIRVTZPIGD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118839
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1CCc1ccccc1	PC-id_7876917,EMOLS-id_43775488,MCULE-8430778118,CoCoCo_3081693,ZINC22_6097478	408.56	AWPDBBOVHLWEAD-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-118840
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1[C@@H](C)c1ccccc1	CoCoCo_3081356,PC-id_7876622,ZINC22_6097015	408.56	LMWDOTPOYCCVCK-KRWDZBQOSA-N	00000000110000110101000000000010000000000000000000000000	31-01-118841
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1[C@H](C)c1ccccc1	CoCoCo_3081357,ZINC22_6097016,PC-id_7876623	408.56	LMWDOTPOYCCVCK-QGZVFWFLSA-N	00000000110000110101000000000010000000000000000000000000	31-01-118842
CCc1cccc(c1)c1nn(c(c1)CC)CC(=O)N1CCc2c(CC1)nc(s2)C	PC-id_89608040,SCHEMBL15002129	408.56	VQHWQYKIOGPIOA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118843
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(c(c1)C)C	PC-id_89607949,SCHEMBL15002037	408.56	SENUCFVRJSVPQD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-118844
O=C(c1cc(n(c1C)C(c1ccccc1)C)C)CSc1nnc2n1CCCCC2	EMOLS-id_43775470,PC-id_16368236,MCULE-8743212185	408.56	LMWDOTPOYCCVCK-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-118845
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)CCc1ccccc1)C	CoCoCo_3081694,CoCoCo_3081697	408.56	KPAJPBOYTMRJOU-PGMHBOJBSA-N	00000000110000110101000000000010000000000000000000000000	31-01-118846
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)CCc1ccccc1)C	CoCoCo_3081695,CoCoCo_3081696	408.56	KPAJPBOYTMRJOU-LTGZKZEYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-118847
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)[C@H](c1ccccc1)C)C	CoCoCo_3081358,CoCoCo_3081365	408.56	DVEJTLFUWNRZGS-SZHLLGMXSA-N	00000000110000110101000000000010000000000000000000000000	31-01-118848
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)[C@@H](c1ccccc1)C)C	CoCoCo_3081359,CoCoCo_3081363	408.56	DVEJTLFUWNRZGS-WNSCPLKPSA-N	00000000110000110101000000000010000000000000000000000000	31-01-118849
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)[C@@H](c1ccccc1)C)C	CoCoCo_3081360,CoCoCo_3081364	408.56	DVEJTLFUWNRZGS-VKZJTJHYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-118850
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)[C@H](c1ccccc1)C)C	CoCoCo_3081362,CoCoCo_3081361	408.56	DVEJTLFUWNRZGS-LBSLPOPVSA-N	00000000110000110101000000000010000000000000000000000000	31-01-118851
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC(Nc2ccccc2)CC1)C#N	PC-id_56433003	408.56	HRFDKNZFYKSQTN-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-118852
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)c1ccccc1)C#N	PC-id_8688142	408.56	YLLFVPAQJNRTDO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118853
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s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CCN(CC1)c1ccccc1)C)C#N	PC-id_9250266	408.56	OKWCLLFVPBOMTL-QGZVFWFLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118855
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(cccc1)C)C#N	PC-id_22200609	408.56	MSGMSXQBTQLVGW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118856
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)c1ccccc1)C)C#N	PC-id_84963534	408.56	OKWCLLFVPBOMTL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118857
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccccc1)C#N	PC-id_22198356	408.56	VEKHACSLWBBTSG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118858
Cc1nc(c2ccc(S(=O)(=O)NCc3n[nH]c4c3CCCCC4)s2)cs1	MCULE-5505098968,ZINC22_670451362,EMOLS-id_222768829	408.561	OBIHOJSCLSTUIG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-118859
CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2nnc3n2CCCCC3)CC1	ZINC22_36451919,MCULE-8785584909,CoCoCo_3854806,EMOLS-id_16697388,PC-id_40763207	408.561	JSTODYFBVFXZEL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118860
s1c2CCCCCc2c(c1NC(=O)CSc1sc(OC(C)C)nn1)C#N	PC-id_55989684	408.561	PESLUXNYEYKULR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118861
CCOC1=CC(=CC=C2C=CC(=[N+](C)C)C=C2)C=C(c2c1c(C)sc2C)OCC	PC-id_100987041	408.576	VFRYDQPSDHLLCL-UHFFFAOYSA-N	00000000100011000110000000000010000000000000000000000000	31-01-118862
CC(C)(C)c1cc2=CC(=CCC=c2[nH]1)N[N+](=O)C1(CCCC1)c1ccc(cc1)S	PC-id_91380729	408.579	KQDOXPXZGSOLAL-UHFFFAOYSA-O	00000010100000110110100000000010000000000000000000000000	31-01-118863
N#Cc1c(NC(=O)C[N@@H+]2CC[C@H](CC2)Cc2ccccc2)sc2c1CCCCC2	PC-id_8019888,GD-id_ZINC06640204	408.579	AAAOQVXOPURIEB-UHFFFAOYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-118864
CCCCOCCOCCNC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_111693384	408.581	CBXLXYURUWWKSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118865
CCC1CN(CCC1c1ccccc1)C(=NC)NCCc1nnc2n1CCCCC2	PC-id_109566279	408.583	ZNGQJQYNTFGYBJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118866
C/C(=C(/n1nnc2c1CCCCCC2)C)/C(=C(\n1nnc2c1CCCCCC2)/C)/C	PC-id_134834922	408.583	YUFLUJHVDXBJKW-CLFAGFIQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118867
CCNC(=NCC1(CCC1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111855136	408.583	NZWBMAARYGZGLC-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-118868
CCNC(=NCC1(CCCC1)c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111852674	408.583	TUUCYOACKWSWHO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-118869
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(C(C1)CC)c1ccccc1	PC-id_109566389	408.583	ZOZNRNUTEWVIRG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118870
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(C(C1)C)c1ccccc1	PC-id_109543846	408.583	ZMCYOACMYWBCNE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118871
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)Cc1ccccc1	PC-id_111725409	408.583	PMYCLLHZHMKWMR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-118872
CN=C(N1CCC(C(C1)C)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_109544050	408.583	ZZUHEVMXDAAJCV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118873
CN=C(N1CCC(CC1)Cc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111152714	408.583	FNZPKGJBJYZNBA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-118874
CN=C(NC1CCC(CC1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_112076892	408.583	ZKYQELMHWWPRTQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118875
CN=C(NCC1(CCCC1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111852828	408.583	OFBXGPGMJUXKRU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-118876
s1c(C2=NC(=Cc3[nH]c4c(C(CCCCCC4)CCCC)c3)C(=C2)OC)ccc1	PC-id_16116516	408.599	LWUSFNCFQSKOEU-UHFFFAOYSA-N	00000011100100000100100000000010000000000000000000000000	31-01-118877
s1c2c(CCCCCC2)c(c1NC(=S)NCc1sccc1)C(=O)OCC	PC-id_19653590	408.601	DJYXKRCPGFFENW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-118878
Cc1ccc(cc1)CCC1CCN(CC1)CC(=N)N1CCCc2c(C1=N)ccs2	PC-id_141859871	408.603	IEZXZHOZWCWOFA-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-118879
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCCC(C1)S(=O)CC	PC-id_109440375	408.604	FLHOWQCEBRWIGA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118880
CCS(=O)C1CCCC(C1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109438171	408.604	OVIYHINLGUMLCL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-118881
c1(ccc(cc2-c1c(cc2C)Cc1cc(c2-c1c(ccc(c2)C(C)C)C)C)C(C)C)C	CHEMBL511556,PC-id_10319303	408.618	IDPKUZZCOXJZMY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118882
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c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCCCC1CC	MCULE-8747982399,EMOLS-id_4088219,PC-id_3299550,TIMTEC409874	408.621	QQYOWVGAKBVBJI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118884
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s1c2c(CCCCC2)c(c1NC(=S)NC1CCC(CC1)CC)C(=O)OCC	PC-id_20179853	408.621	NGOSMUSPIMUQHS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118896
s1c2c(CCCCC2)c(c1NC(=S)NC1CCCCCCC1)C(=O)OCC	PC-id_19650565	408.621	DPLSUJOKMRKUBV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118897
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCC(CC1)CC)C(=O)OC	PC-id_20179846	408.621	FDNVQRBTGZLGRN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118898
s1c2c(CCCCCC2)c(c1NC(=S)NC1C(CCCC1)C)C(=O)OCC	PC-id_19652612	408.621	XNJKUPRVKYUNPD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118899
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCC(CC1)C)C(=O)OCC	PC-id_20179760	408.621	IAPVOTVPKOUVLF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-118900
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCCCCC1)C(=O)OCC	PC-id_19650487	408.621	BLTKEUWVJKUUSX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118901
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCCCCCC1)C(=O)OC	PC-id_19650559	408.621	DOPUQNBCBOVHJA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118902
s1c2c(CCCCCCCCCC2)c(c1NC(=S)NCC=C)C(=O)OCC	PC-id_4863800	408.621	BCXIBTLZTJPEDM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118903
CCOC(=O)CN(C(=O)c1c(=O)n(c2-c1ccc(cc2)Cl)CC(=O)OCC)C	PC-id_56614885,SCHEMBL11267966	408.833	UNFLFFRKUFDAJP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118908
Clc1ccc2-c(c(c(=O)n2CC(=O)OCC)C(=O)NCCC(=O)OCC)cc1	PC-id_57075702	408.833	KVFOJQSNOXWAIG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118909
COC(=O)COc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1Cl	MCULE-9531487275,EMOLS-id_44593562,PC-id_71845896,ZINC22_83891308	408.836	JJRJELLDHPKFGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118910
c1(NC(=O)c2ccc(cc2Cl)N(=O)=O)sc2c(CCCCC2)c1C(=O)OC	MCULE-7824010789,PC-id_2165218,ChEMBL-DNDi_CHEMBL7226011,TIMTEC118426,CoCoCo_895967,EMOLS-id_2440107,ZINC22_2746850	408.856	DDUKZZOHDDRTGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118911
c1(NC(=O)c2ccc(cc2N(=O)=O)Cl)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_2096331,ZINC22_1200688,PC-id_1358920,CoCoCo_684409,TIMTEC442028,MCULE-3049625392,ChEMBL-DNDi_CHEMBL5700849	408.856	SAWRHZIKWBCOET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118912
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)sc2c(CCCCC2)c1C(=O)OC	ZINC22_1200086,MCULE-5357290439,EMOLS-id_2368487,CoCoCo_683274,ChEMBL-DNDi_CHEMBL5694491,PC-id_1358468	408.856	ROWFKFSMIGDVEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118913
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OC	TIMTEC489050,PC-id_997654,MCULE-5153577419,SPECS-id_AK-968/41445619,ZINC22_651614,EMOLS-id_2444432,CoCoCo_904086,ChEMBL-DNDi_CHEMBL7271308	408.856	UVEUHSAIBJLTQU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118914
Clc1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)c([N+](=O)[O-])cc1	PC-id_7351945	408.856	GAOWJWMPQRZGDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118915
Clc1cc([N+](=O)[O-])c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_7352149	408.856	SAIHYRBNCGUZMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118916
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc([N+](=O)[O-])c1	PC-id_7649812	408.856	NVVPRRDTTPDJQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118917
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc([N+](=O)[O-])cc1	PC-id_29385926	408.856	MFNYAHVVRXTOGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118918
Clc1c([N+](=O)[O-])cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	EMOLS-id_323881469,PC-id_4459979	408.856	RVKZTLNSABGNQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118919
Clc1c([N+](=O)[O-])cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_7352153	408.856	DCHRASZJOPPCMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118920
O=C(Nc1sc2c(c1C(=O)N)CCCN(C2)C(=O)O)Nc1ccc(cc1)Cl	PC-id_118270483,SCHEMBL16962827	408.859	CWBBCSFWYZEOMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118921
O=C([C@H]1CCOC1)NCc1nnc2n1CC[N@H+](CC2)Cc1c(F)cccc1Cl	GD-id_ZINC11787023	408.878	IZVQJQRGAMASSP-ZDUSSCGKSA-O	00000010100000110101000000000010000000000000000000000000	31-01-118922
Clc1cc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc(OC)c1OCC	PC-id_55890859	408.879	OTBDXCGIGLVBAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118923
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1C)Cl)c2)Cc1ccccc1	PC-id_53034483,EMOLS-id_32632760,MCULE-1100551950	408.881	UDSMXHWUYSMFLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118924
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1)c2)Cc1ccc(cc1)Cl	MCULE-9875976438,EMOLS-id_16324764,PC-id_20964776,CoCoCo_2544610	408.881	MXTYSKUHKIJOCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118925
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1Cl)c2)Cc1ccccc1	EMOLS-id_16324582,MCULE-6729483946,CoCoCo_2544484,PC-id_20964692	408.881	UQQSOACGYRLDGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118926
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)Cl)c2)Cc1ccccc1	EMOLS-id_16324584,PC-id_20964693,MCULE-4862850384,CoCoCo_2544485	408.881	AZWPKFCUGOIJEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118927
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(Cl)c1)c2)Cc1ccccc1	PC-id_20964691,MCULE-2616529394,CoCoCo_2544483,EMOLS-id_16324580	408.881	DIKFRYSWWFBKSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118928
O=C(NCc1nnc2n1CCCCC2)c1ccccc1C(=O)c1ccc(Cl)cc1	PC-id_17537280,CoCoCo_4647660,MCULE-7323559038,ZINC22_12769062,EMOLS-id_16788142	408.881	KXHLYKLYDNTFTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118929
Clc1cc(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc(OC)c1OC	PC-id_9301004	408.899	CSKIALBAHZBBOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118930
Clc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	EMOLS-id_33086150,PC-id_53182759,MCULE-2452297815	408.902	RWPIZYWDYKYBQK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118931
Clc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	EMOLS-id_33086244,PC-id_53182781,MCULE-5985161053	408.902	HYWJRAUBYDKXRU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-118932
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCCCC2)c1C#N	ChEMBL-DNDi_CHEMBLF2536-0383,MCULE-3029287248,EMOLS-id_22735444,CHEMBL1315274,CoCoCo_5137943,ZINC22_4496169,PC-id_7254247	408.922	ZPOPSDCQPUVVRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118933
Cc1cc(c(cc1N=C(C)c1c2-c(ccccc2)[nH]c1=O)N1CCN(CC1)C)Cl	PC-id_136478336	408.924	CYMFFSDXIRHSFW-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-118934
CN1CCN(CC1)c1cc(/N=C(/c2c(=O)[nH]c3-c2ccccc3)C)c(cc1Cl)C	SCHEMBL13077214	408.924	CYMFFSDXIRHSFW-PCLIKHOPSA-N	00000010100010110111100000000010000000000000000000000000	31-01-118935
Clc1c(c(NCc2n3c([n+](c2)CC(=O)c2ccccc2)CCCCC3)ccc1)C	GD-id_ZINC27028271,CoCoCo_6132035,PC-id_34319633	408.944	GPXYNMNZVVVQND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118936
c1(NC(=O)CCSc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)N	PC-id_7545742,ZINC22_5191877,EMOLS-id_5746931,MCULE-9355925033,CoCoCo_5138766	408.965	DLUFURZCWQMCCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118937
Clc1ccc(CNC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_19649371	408.965	BCWYFBSRQBCEKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118938
Clc1cc(CNC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_20166220	408.965	MLBPKLTVEYYBDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118939
Clc1ccc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_20408803	408.965	ONUIXGFBUPDTJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118940
Clc1ccc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_20408799	408.965	WJNANNCZYNQQMM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118941
Clc1ccc(N/N=C/2C(CCSc3sc(cc23)CCC)CC(=O)O)cc1	PC-id_10692853	408.965	JTXVYJKCUFPHSE-RELWKKBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118942
Clc1ccc(NN=C2C(CCSc3sc(cc23)CCC)CC(=O)O)cc1	PC-id_85234630	408.965	JTXVYJKCUFPHSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118943
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1C	PC-id_20411057	408.965	RNEKJVGXMOOZCI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118944
Clc1c(c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1)C	PC-id_20411163	408.965	MGLZHSLVOQTFKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118945
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)c(cc1)C	PC-id_20415221	408.965	TUYJZBDRTNIJGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118946
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_20409010	408.965	IZJKTSGCENFRMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118948
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_20409005	408.965	JQNBOJSEYFNZLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118949
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cccc1	PC-id_20409146	408.965	VYNRLAWGZNEDCT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118950
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cccc1	PC-id_20409141	408.965	NJYBKIMOMNPOBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118951
Clc1sc(C[NH+](C(C(=O)Nc2sc3c(CCCCC3)c2C#N)C)C)cc1	PC-id_74713138	408.988	MRYCHEFOUWWUBX-UHFFFAOYSA-O	00000000100100000100000000000010000000000000000000000000	31-01-118952
Clc1sc(C[NH+]([C@H](C(=O)Nc2sc3c(CCCCC3)c2C#N)C)C)cc1	PC-id_40741492	408.988	MRYCHEFOUWWUBX-LBPRGKRZSA-O	00000000100100000100000000000010000000000000000000000000	31-01-118953
Clc1sc(C[NH+]([C@@H](C(=O)Nc2sc3c(CCCCC3)c2C#N)C)C)cc1	PC-id_40741494,GD-id_ZINC08473868	408.988	MRYCHEFOUWWUBX-GFCCVEGCSA-O	00000000100100000100000000000010000000000000000000000000	31-01-118954
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc(s1)Cl)C	PC-id_111363231	408.992	QMLGMQRXAFKHEL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-118955
CC1=NN2C=C[C@@H](C(=O)N(C2=C1)C)NC(=O)C3=NC=C4COC5(C4=C3)CCCOC5	PC-id_154021380	409.175	PCUGGGNSPKKDNF-BJQOMGFOSA-N	00000010100010100111000000000010000000000000000000000000	31-01-118956
BrCC(NC(=O)c1sc2CCCCCc2c1)(CBr)C	PC-id_81966815	409.18	KWKVXCROVKHWEC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-118957
CNCCC(C1=CC=CS1)OC2=CC=C(C=C2)CN3CCCN4C=CC=C4C3=O	PC-id_155071979	409.182	WASUQIPUMWYRNJ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-118958
CCN1C(=O)C(CCn2c1c(cn2)OC)NC(=O)c1nn(cn1)Cc1ccccc1	PC-id_164093425	409.186	XIDDVZAENVYWRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118959
CN1C=C2C(=N1)CCC(C(=O)N2C)NCC3=CC=CC(=C3)CC4=NC(=NN4)C(=O)O	PC-id_155175460	409.186	WNSAUDXINRCIBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118960
O=C1C(CCn2c(N1C)cc(n2)B(O)O)NC(=O)c1ncn(n1)Cc1ccccc1	PC-id_140764642	409.207	GSBPSHOHEPWBSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118961
C1COCCC1CC(=O)N2C[C@@H]3[C@H](C2)C3CCNC(=O)C4=CC5=CC=CC=CC5=[O+]4	PC-id_153560031	409.212	QOIYRIPBGJSIKL-IHWFROFDSA-O	00100010100010000110010000000010000000000000000000000000	31-01-118962
Brc1cc(C=C(c2n3CCCCCc3nn2)C#N)c(OC(F)F)cc1	PC-id_78650363	409.228	BIEOMISMDSONJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118963
Brc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)c(OC(F)F)cc1	PC-id_8275441	409.228	BIEOMISMDSONJT-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118964
Brc1ccc(cc1)CCC(=O)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965900,PC-id_71571177	409.235	WWRKQXQWJRWIPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118965
CCNC(=O)c1nn2c(c1)C(N=CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl	PC-id_90461032,SCHEMBL16100387	409.267	GWXFVZNQPIMNJN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-118966
CCCCCOC(=O)c1c2-c(c(c1OC)C(=O)OC)cc(ccc2)Br	PC-id_141346797	409.271	LHLHSDLZKYRMDU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-118967
Brc1cc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)c(OC)cc1	PC-id_56222049	409.278	RFZDVRQWPFAMHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118972
Brc1cc(OCCNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55920622	409.278	QTGZPTVWMFVZAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118973
Brc1c(c2oc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cccc1	PC-id_78650333	409.279	YFAHBNGJJMADNT-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-118974
Brc1c(c2oc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cccc1	PC-id_8275344	409.279	YFAHBNGJJMADNT-WYMLVPIESA-N	00000000101000110101100000000010000000000000000000000000	31-01-118975
Brc1ccc(c2oc(/C=C(c3n4CCCCCc4nn3)/C#N)cc2)cc1	CoCoCo_3456445,PC-id_45840430	409.279	PJUJDOKQPQLDMC-QINSGFPZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-118976
Brc1ccc(c2oc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cc1	MCULE-7065535855,EMOLS-id_35773654,PC-id_3252306	409.279	PJUJDOKQPQLDMC-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-118977
Brc1ccc(c2oc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_5773241,CoCoCo_3456444	409.279	PJUJDOKQPQLDMC-NTCAYCPXSA-N	00000000101000110101100000000010000000000000000000000000	31-01-118978
CCCCCNC(=O)C1(CCCCCC2=C1N=NN2CCCNC(=O)CCC)F	PC-id_164597815	409.285	PUUQGOITKLPCHY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118979
COC(=O)c1c(NC(=O)c2cncc(Br)c2)sc2c1CCCCC2	EMOLS-id_24971404,MCULE-7730983499,CoCoCo_3927366,PC-id_39963865,ZINC22_32736075	409.297	DYZRFHGQLZIUKI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-118980
O=C1Nc2sc(c(c2CN([C@H]1C)C(=O)OCc1ccccc1)Br)C	PC-id_141716502	409.297	UGBZSLGRGLUDKD-JTQLQIEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-118981
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(F)c(F)cc(F)c1F	PC-id_19527287	409.301	RQIPGKCRMCLTRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118982
Clc1cc(C2N(CCC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1Cl	PC-id_55868937	409.31	PFESBTFHIIVTIY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-118983
Brc1c(CNCCc2n3CCCCCc3nn2)cc(OC)c(OC)c1	PC-id_55562198	409.321	JOIFLDDOTQQHNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118984
c1(NC(=O)C=Cc2c(cccc2Cl)Cl)sc2c(CCCCC2)c1C(=O)N	PC-id_4683913,MCULE-6314909223	409.329	LCLWQLQHLODLPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118985
Clc1cc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)ccc1Cl	PC-id_4141767	409.329	UVJSFRFZEHTVGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118986
Clc1cc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)ccc1Cl	PC-id_6019900	409.329	UVJSFRFZEHTVGM-VQHVLOKHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118987
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)ccc(Cl)c1	PC-id_3404770	409.329	MEQOCJKELUMQGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118988
Clc1c(OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)ccc(Cl)c1	PC-id_3550426	409.329	CTEQAXYCESDDOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118989
Clc1c(OCC(=O)Nc2sc3CCCCCCc3c2C#N)ccc(Cl)c1	PC-id_3639958	409.329	XRABELVAUGYMPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118990
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c([nH]nc1C(F)(F)F)C	PC-id_19523867	409.329	ZZRSDKNHAWBHDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-118991
NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCCCC2	ZINC22_6329470,PC-id_5816555	409.329	MEQOCJKELUMQGC-VQHVLOKHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118992
NC(=O)c1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc2c1CCCCC2	PC-id_6185277,CoCoCo_6804758,TIMTEC280488,EMOLS-id_46453096,ZINC22_2737539	409.329	LCLWQLQHLODLPX-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118993
O=C(Nc1sc2c(c1C(=O)N)CCCCC2)/C=Cc1c(Cl)cccc1Cl	CoCoCo_6804759	409.329	LCLWQLQHLODLPX-KTKRTIGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-118994
Brc1ccc([C@@H](NC(=O)CSc2n3CCCCCc3nn2)C)cc1	PC-id_7876575	409.344	YWRAPAMSFLRAJT-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118995
Brc1ccc([C@H](NC(=O)CSc2n3CCCCCc3nn2)C)cc1	PC-id_7876576	409.344	YWRAPAMSFLRAJT-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118996
Brc1ccc(CN(C(=O)CSc2n3CCCCCc3nn2)C)cc1	PC-id_24371240	409.344	HTHOJDHRQCOBJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118997
Brc1ccc(C(NC(=O)CSc2n3CCCCCc3nn2)C)cc1	PC-id_78559201	409.344	YWRAPAMSFLRAJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118998
Brc1c([C@@H](NC(=O)CSc2n3CCCCCc3nn2)C)cccc1	PC-id_7876605	409.344	MTMLPJDTUPBBBY-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-118999
Brc1c([C@H](NC(=O)CSc2n3CCCCCc3nn2)C)cccc1	PC-id_7876607	409.344	MTMLPJDTUPBBBY-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119000
Brc1c(C(NC(=O)CSc2n3CCCCCc3nn2)C)cccc1	PC-id_78559204	409.344	MTMLPJDTUPBBBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119001
Brc1c(CN(C(=O)CSc2n3CCCCCc3nn2)C)cccc1	PC-id_7877444	409.344	CFAFLCXWOBZZLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119002
OCCN(c1cnc2n1CC=C(C(=C2)CN)C/C(=C(/C=C(C=C)/Cl)Cl)/C)C	PC-id_143550642	409.353	WZZWLYNSGZRNOY-FPMGOWAVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-119003
CCNC(=NCc1ccc(cc1Cl)Cl)NCCc1nnc2n1CCCCC2	PC-id_111198280	409.356	IPOLVXZZPAEJMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119004
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccc(c(c1)Cl)Cl)C	PC-id_111306277	409.356	RYNDFKFMCFFWQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119005
CCNC(=NCc1nnc2n1CCCCC2)NC(c1ccc(cc1Cl)Cl)C	PC-id_111310450	409.356	YBZZAUAUZBLUFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119006
CN=C(NCc1ccc(cc1Cl)Cl)NCCCc1nnc2n1CCCCC2	PC-id_111198344	409.356	RFKXTYHBNXMPEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119007
CN=C(NCc1nnc2n1CCCCC2)NCCCc1ccc(cc1Cl)Cl	PC-id_111720253	409.356	JGPAJUXUFQFGCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119008
NC(=NCCCc1nnc2n1CCCCC2)NC(c1ccc(cc1Cl)Cl)C	PC-id_111093791	409.356	QRCNAAFMQODRMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119009
FC(F)(F)COc1c(cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C#N	PC-id_55714741	409.362	KIOOJSWDRRHXMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119010
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1ccccc1[N+](=O)[O-])[N+](=O)[O-]	SCHEMBL14965775,PC-id_89580165	409.395	KUEPMVHLUXSYSO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119011
C1Cn2cc(nc2OCCN1Cc1cccc(n1)c1ccc(cc1)C(=O)O)[N+](=O)[O-]	SCHEMBL14965895,PC-id_89580253	409.395	BAFACPBBKYEEBE-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-119012
C1Cn2cc(nc2OCCN1Cc1cc(ncc1)c1ccc(cc1)C(=O)O)[N+](=O)[O-]	PC-id_89580561	409.395	JTIJOQMKIHGJRQ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-119013
COC(=O)c1coc2c1NC(=O)C(CC2)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19037409	409.395	QWVOMGLYTJSETO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119014
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc2OC(F)(F)Oc2cc1	PC-id_7351986	409.404	HICDBUFBUDVSDH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-119015
CC#CCC1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353547	409.407	HHBUOJDMKKSRIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119016
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1cc(cc(c1)c1ccccc1)F	PC-id_86345633,SCHEMBL16099598	409.41	WTKXWAQWARHJBR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119017
Fc1ccc(C(=O)c2ccc(OC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)cc1	PC-id_36437040	409.41	KIQLIBYQIBDZJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119018
Fc1ccc(Oc2cc(CN3CCCn4c(C3=O)cc(c4)C(=O)NO)ccc2)cc1	SCHEMBL12210977,PC-id_58465605	409.41	GGPWVSOJRIYSAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119019
o1c2-c(c(/C(=C/3C4=CC=CC=CC4=[O+]C3=O)/c3ccc(OC)cc3)c1=O)ccccc2	PC-id_10721468	409.41	BKEMOCWOFRCGNI-UHFFFAOYSA-N	00000011100000110110000000000110000000000000000000000000	31-01-119020
Cn1cccc(C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)c1=O	EMOLS-id_313764042,ZINC22_1565556761	409.414	UGPBISWLBXZUOB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119021
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)c2cc(on2)C2CC2)c1	EMOLS-id_313764298,ZINC22_1565556219	409.414	PYUIFKZJWUPCKB-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-119022
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)Cn2ccccc2=O)c1	EMOLS-id_313764554,ZINC22_1565556425	409.414	HTVJTWXDQSBECF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119023
FC(F)Oc1c(OC)cc(CNC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55683711	409.43	UTNIUHJUSQQYIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119024
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc4c(OCO4)c3)CCn12	EMOLS-id_20435043,PC-id_45178532,MCULE-1320917244	409.438	STJFWMUEKGFAJP-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-119025
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	PC-id_42328758,ZINC22_11978325,CoCoCo_1179598,CoCoCo_1179597	409.438	STJFWMUEKGFAJP-CQSZACIVSA-N	00000010101000100101000000001010000000000000000000000000	31-01-119026
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	ZINC22_11978330,PC-id_42328765,CoCoCo_1179599,CoCoCo_1179600	409.438	STJFWMUEKGFAJP-AWEZNQCLSA-N	00000010101000100101000000001010000000000000000000000000	31-01-119027
COc1ccc(C(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)c(OC)n1	MCULE-6932475863,EMOLS-id_97099495	409.438	DEDYNJNJDUMOCL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119028
n12CCN(CCc1nnc2CCNC(=O)c1ccco1)Cc1ccc2c(OCO2)c1	ChEMBL-DNDi_CHEMBL24430467,EMOLS-id_20481963,ZINC22_11872743,PC-id_42239601,MCULE-5266807753	409.438	OGFOXFVZUOHRFL-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-119029
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)Cc1ccc2c(OCO2)c1	CoCoCo_1229254,MCULE-9492138599,CoCoCo_1229255,ZINC22_20450340,PC-id_28954193,EMOLS-id_20470551	409.438	LOMQTWVAKRNRGP-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-119030
O=c1n2CCCCCc2nn1CC(=O)Nc1c(Oc2ccc(OC)cc2)nccc1	PC-id_55763389	409.438	NLNWFTDYORXKCQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119031
Cc1cnc(o1)CN=C1CC=C(Nc2c1n(cc2)Cc1nc(cc(n1)OC)OC)N	PC-id_137046278	409.442	PHWZZEMOEXYWBV-UHFFFAOYSA-N	00000000100000100111000000000010000000000000000000000000	31-01-119032
CCc1c(C(=O)NCc2nnc3n2CCCCC3)cnn1c1ccc([N+](=O)[O-])cc1	EMOLS-id_30250068,PC-id_45884156,ZINC22_40088915,MCULE-6791516370	409.442	DGFONMXTXHDBPG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119033
COc1ccccc1Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18367124	409.442	MHEAWDJAADSANH-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119034
O=C1[C@H](CCn2c(N1C)cc(n2)C(=O)C)NC(c1ncn(n1)Cc1ccccc1)O	SCHEMBL19659202	409.442	YJIUHSPCBBUYJV-FUKCDUGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119035
O=C1[C@H](CCn2c(N1C)cc(n2)C(O)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366659	409.442	HRGPWENRMILAPQ-WUJWULDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119036
O=C1[C@H](COc2c(N1C)cnn2C(C)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366387	409.442	QLPRLBPUQZZUPQ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119037
O=C1[C@H](COc2c(N1C)cnn2C(C)C)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL18366341	409.442	JBRBEZTWYQTTBT-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119038
O=c1n2CCCCCc2nn1CC(=O)NCC(=O)Nc1ccc(n2nccc2)cc1	PC-id_56363424	409.442	HGMVZNHZLCYBAX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119039
OCCc1ccc(cc1)Cc1nnc([nH]1)C(=O)NC1CCc2c(NC1=O)cnn2C	SCHEMBL19228318	409.442	OWMXIRHQYOJWSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119040
OCCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL19641493	409.442	HFZFZAQPUFCVQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119041
OCCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367427	409.442	HFZFZAQPUFCVQI-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119042
OCCc1nn2c(c1)N(C)C(=O)[C@@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367429	409.442	HFZFZAQPUFCVQI-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119043
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cc(C(C)C)c(O)cc1C	PC-id_19523657	409.445	XEZLLSHPWLBOFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119044
c1(NC(=O)COc2ccc(cc2F)F)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_4558417,MCULE-9381680196,PC-id_4695102,CoCoCo_1754905,EMOLS-id_6776404	409.447	KGRNEDZTDIGXRC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119045
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(OC(F)F)cccc1)C	PC-id_78644179	409.447	JBJFPFFTMJVJPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119046
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(OC(F)F)cccc1)C	PC-id_8254787	409.447	JBJFPFFTMJVJPF-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119047
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(OC(F)F)cccc1)C	PC-id_8254789	409.447	JBJFPFFTMJVJPF-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119048
CCC(C)C(=O)NCc1nnc2CCN(Cc3ccc(cc3)C(F)(F)F)CCn12	EMOLS-id_20480873,MCULE-6218834928,PC-id_45189155	409.449	SBGOIIVFQZICMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119049
CCC(C)C(=O)NCc1nnc2CCN(Cc3cccc(c3)C(F)(F)F)CCn12	PC-id_45206525,MCULE-2471614883,EMOLS-id_20557137	409.449	MWEVTSVTXWAZJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119050
CC(C)C(=O)NCCc1nnc2CCN(Cc3cccc(c3)C(F)(F)F)CCn12	ChEMBL-DNDi_CHEMBL34910913,MCULE-4879659228,CoCoCo_1320455,PC-id_42424519,CoCoCo_1320456,EMOLS-id_20534113,ZINC22_39413255	409.449	BANGLAZECPPDEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119051
CC(C)C(=O)NCCc1nnc2CCN(Cc3ccccc3C(F)(F)F)CCn12	CoCoCo_1300332,ZINC22_20782799,EMOLS-id_20520087,PC-id_29152941,MCULE-1734467234,CoCoCo_1300333	409.449	BREFTTKNFWEKSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119052
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	CoCoCo_1354210,CoCoCo_1354212,ZINC22_20998561	409.449	MWEVTSVTXWAZJS-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119053
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	ZINC22_20998559,CoCoCo_1354213,CoCoCo_1354211	409.449	MWEVTSVTXWAZJS-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119054
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2	CoCoCo_1244057,ZINC22_20454014,CoCoCo_1244059	409.449	SBGOIIVFQZICMJ-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119055
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2	ZINC22_20454012,CoCoCo_1244060,CoCoCo_1244058	409.449	SBGOIIVFQZICMJ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119056
FC(F)(F)c1cc(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)ccc1	PC-id_7565976	409.449	RWAQKIPRGAOLIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119057
C1CN(CCc2c1nc(o2)C(=O)NCCOc1ccccc1)Cc1cc(ccc1)F	PC-id_134806224	409.453	IRTMVAMZPJSVEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119058
COc1ccc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)NCc1cc(ccc1)F	PC-id_134807980	409.453	LPTYXLIUIRACER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119059
COc1ccccc1CN1CCc2c(CC1)oc(n2)C(=O)NCc1cc(ccc1)F	PC-id_134809290	409.453	NPZFHRIXBTWGGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119060
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C=CC(=O)OCC)C(=O)OC	PC-id_3938913	409.453	FWDMTODVIUBASS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119061
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)/C=C/C(=O)OCC)C(=O)OC	PC-id_5963815	409.453	FWDMTODVIUBASS-MDZDMXLPSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119062
c1(CN(c2ccc(cc2)F)C(=O)Nc2ccccc2OC)nnc2CCCCCn12	ChEMBL-DNDi_CHEMBLF2559-0258,CHEMBL1434233,EMOLS-id_10086894,CoCoCo_2580249,ZINC22_4518176,PC-id_7267308,MCULE-5977431054	409.457	ABHADCCVFARSQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119063
c1(CN(c2ccc(cc2)F)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	EMOLS-id_10086472,ZINC22_4518180,CoCoCo_2580251,PC-id_7267310,MCULE-4911831713,ChEMBL-DNDi_CHEMBLF2559-0260	409.457	YNYOHNFVJNSVTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119064
c1(CN(c2ccc(cc2)F)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	CoCoCo_2580250,MCULE-4242721543,EMOLS-id_10086598,ChEMBL-DNDi_CHEMBLF2559-0259,ZINC22_4518177,PC-id_7267309	409.457	GIXMCDDKOIZXKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119065
c1(CN(c2cccc(F)c2)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	PC-id_7565925,CoCoCo_6271538,MCULE-9009515432,ZINC22_5223420,EMOLS-id_10086674	409.457	RVBSGTFQIHSPEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119066
c1(CN(c2cccc(F)c2)C(=O)Nc2ccccc2OC)nnc2CCCCCn12	ZINC22_5223415,MCULE-7577080672,EMOLS-id_5701276,PC-id_7565921,CoCoCo_5142778	409.457	DNPLXCRRUSYZIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119067
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)F)C(=O)Nc1ccc(cc1)OC	MCULE-9258568498,PC-id_4752733,ZINC22_8475013	409.457	UBEMQOUUYJYLEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119068
Cc1ccc(NC(=O)CC2CCc3nn(Cc4cccnc4)c(=O)n3CC2)cc1F	MCULE-4592623877,EMOLS-id_207877227	409.457	IQLXCVVLPKYYHR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119069
COc1ccccc1CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1	CoCoCo_1222615,CoCoCo_1222614,PC-id_28739904,ZINC22_20212159,EMOLS-id_20466073,MCULE-7953802866	409.457	VZNHRBQXOIEANO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119070
COc1ccccc1NC(=O)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1	CoCoCo_6602607,ZINC22_28534826,PC-id_16458970,MCULE-7221218548	409.457	FXQKQHPLMBFDGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119071
COc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2F)c1	PC-id_2373597,CHEMBL1429865,EMOLS-id_3013979,ChEMBL-DNDi_CHEMBL1429865,MCULE-9006089487,ZINC22_3256938,CoCoCo_3767457	409.457	RKEMPUBZCVUYOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119072
COc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(F)cc2)c1	MCULE-7526809403,EMOLS-id_3013821,CoCoCo_3767393,PC-id_2373278,ZINC22_3256630	409.457	XGHLKBYUYZUHOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119073
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(F)cc2)c1	CoCoCo_6602351,ZINC22_28527993,PC-id_16458846,MCULE-3380364548	409.457	FKWNXGPXDCDHCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119074
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(F)cc2)cc1	PC-id_16458825,MCULE-8188332673,CoCoCo_6602292,ZINC22_28527951	409.457	PFMZFJMRFFDDMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119075
Fc1cccc(c1)Cn1nc2n(c1=O)C(CCCC2)C(=O)NCCc1ccccn1	MCULE-6539311211,EMOLS-id_207869529	409.457	WIJVPYSUNLEVLY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119076
Fc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccco1	CoCoCo_1343691,CoCoCo_1343693	409.457	CZTDTWPVUWNPHQ-IWQZZHSRSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119077
Fc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)C/C=C/c1ccco1	CoCoCo_1343694,PC-id_42481298,CoCoCo_1343692	409.457	CZTDTWPVUWNPHQ-HNQUOIGGSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119078
Fc1ccc(C(=O)NCCc2n3CCN(CCc3nn2)CC=Cc2occc2)cc1	PC-id_74807163	409.457	CZTDTWPVUWNPHQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119079
Fc1c(CN2CCn3c(nnc3CNC(=O)COc3ccccc3)CC2)cccc1	PC-id_26343699	409.457	ZBVVKXBLCQCAEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119080
Fc1cc(N(Cc2n3CCCCCc3nn2)C(=O)Nc2cc(OC)ccc2)ccc1	PC-id_7565922	409.457	JGWZBVWEOBYYIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119081
Fc1cc(Oc2c(NC(=O)NCCc3n4CCCCCc4nn3)cccc2)ccc1	PC-id_60554090	409.457	VWEJOSOIVMGROU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119082
Fc1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2ccc(OC)cc2)cccc1	PC-id_7565968	409.457	WUAXNEFPPSOMMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119083
Fc1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2cc(OC)ccc2)cccc1	PC-id_7565964	409.457	ZCTCJJNVEONDQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119084
Fc1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2c(OC)cccc2)cccc1	PC-id_7565959	409.457	GZJLIYKGHHNKFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119085
n12CCN(CCc1nnc2CNC(=O)Cc1cccc(F)c1)Cc1ccccc1O	CoCoCo_1279726,MCULE-2464603156,PC-id_29149397,ZINC22_20773732,EMOLS-id_20505879,CoCoCo_1279727	409.457	ZFGXKCUXCDFINA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119086
OCCNC(=O)n1c(C)cc2c1ccc(c2)OC1=CC=Nc2c(C1)sc(c2)C=O	PC-id_142802079	409.458	OURSCNYSOLZJHE-UHFFFAOYSA-N	00000000100000100110000001100010000000000000000000000000	31-01-119087
S(=O)(=O)(Nc1c(OC)cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C	PC-id_55618888	409.46	LKTKVZNCCDFBTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119088
COc1cccc(c1)NC(=O)c1nc2c(s1)CCN(CC2)C(=O)c1ccncn1	PC-id_97442418	409.462	WIWDVIHVCYIHIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119089
O=CN(C1=CC=c2c(=CC1)nc(n2C)NC(=O)c1ccc(s1)c1cnc(o1)C)C	PC-id_143094311	409.462	AHANBNSSFLRGGV-UHFFFAOYSA-N	00000000100100000111100000000010000000000000000000000000	31-01-119090
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c2n(nc1C)cccn2)C#N	PC-id_56109241	409.462	YRLWKQBEZKPZCZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-119091
C1Cc2c(CSC1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20695689,PC-id_137456364	409.468	UDWMBSNKSGVINU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119092
O=C(c1cc2c(s1)CCCCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	EMOLS-id_3528419,CoCoCo_3214461,MCULE-1697545350,ZINC22_21633267,PC-id_8096932	409.468	NZZATFUDQXJJDM-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-119093
Cc1c(oc2=CC=CCC=c12)C(C)(C)c1c(ccc(c1)OCCOCCN=O)C=O	SCHEMBL20366810,PC-id_135211465	409.475	ANQWBORNZZQQTL-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-119094
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1ccccn1	CoCoCo_6317671,EMOLS-id_2394560,ZINC22_5101777,ChEMBL-DNDi_CHEMBL6370009,PC-id_2894883,MCULE-2664236610	409.477	CIULZBUWAGKYEI-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-119095
Fc1ccc(c(c1)C(=O)Nc1ccc(cn1)C(=O)N1CCCCc2c1ccs2)C	PC-id_21467156,SCHEMBL6988392	409.477	DYOLQLYOERWXAR-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-119096
O=C[C@@H]1c2ccsc2CCN([C@H]1C(=O)OC)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966442	409.477	DHULROVMRBSGTI-NVXWUHKLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119097
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(F)cc1)C(=O)Nc1ncccc1	PC-id_76332145	409.477	WIZVBGJITAUYFR-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-119098
s1c2c(CCCCC2)c(c1NC(=O)c1cc(F)ccc1)C(=O)Nc1ncccc1	PC-id_76314014	409.477	RKFVPRRFJDEFME-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-119099
S(=O)(=O)(N1C(C(c2c(scc2)CC1)C=O)C(=O)OC)c1ccc(OC)cc1	PC-id_76477400	409.477	DHULROVMRBSGTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119100
S(=O)(=O)(N1C(Cc2sccc2C(C1)C=O)C(=O)OC)c1ccc(OC)cc1	PC-id_76496731	409.477	RXBGPKAZFWVZKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119101
S(=O)(=O)(N1[C@@H](Cc2sccc2[C@H](C1)C=O)C(=O)OC)c1ccc(OC)cc1	PC-id_57233959	409.477	RXBGPKAZFWVZKQ-WBMJQRKESA-N	00000000100000110100000000000010000000000000000000000000	31-01-119102
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)C=O)C(=O)OC)c1ccc(OC)cc1	PC-id_57034844	409.477	DHULROVMRBSGTI-RDJZCZTQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119103
S(=O)(=O)(NC(C(=O)NCCc1n2CCCCCc2nn1)C)c1c(F)cccc1	PC-id_76277534	409.478	VEKVKKHTRHGMOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119104
S(=O)(=O)(N[C@H](C(=O)NCCc1n2CCCCCc2nn1)C)c1c(F)cccc1	PC-id_55942132	409.478	VEKVKKHTRHGMOW-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119105
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2cccnc2)cc1	PC-id_42467037	409.48	RPIPNDHEJUJJGV-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-119106
Fc1ccc(C[NH+]2CCn3c(nnc3CNC(=O)CCc3cccnc3)CC2)cc1	PC-id_42466973	409.48	CVWLVNAFGIUPKT-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-119107
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1cc(ccc1C)[N+](=O)[O-]	PC-id_25656103,MCULE-3837760221,EMOLS-id_16692769,CoCoCo_3538102	409.48	MOOOQEDIGVXRMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119108
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C	EMOLS-id_16730576,MCULE-2207497556,PC-id_8500375,CoCoCo_3538145	409.48	CDWDZRREPJNSFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119109
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(cccc1[N+](=O)[O-])C	PC-id_52404281	409.48	ZWPNTYVTBVXPIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119110
s1c2c(CCCCC2)c(c1NC(=O)CSc1[nH]c(=O)cc(O)n1)C(=O)OC	PC-id_19643986	409.48	NOVSMQVBLJCPHM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-119111
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	PC-id_8482870	409.48	MHFPQNUXXBVGLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119112
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c([N+](=O)[O-])cccc1	PC-id_26952083	409.48	VKISDSZSPNXQFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119113
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3)OCC)CCn12	PC-id_45212484,EMOLS-id_20582693,ChEMBL-DNDi_CHEMBL46238144,MCULE-8562045199	409.481	XGNCZXYNUBFPRS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119114
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(c(C)c3)OC)CCn12	MCULE-2665531191,EMOLS-id_20492647,PC-id_45191841	409.481	IMOONJVQZIJGRL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119115
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3ccccc3OC)CCn12	ZINC22_11996486,EMOLS-id_20514337,CoCoCo_1292047,MCULE-1130103523,CoCoCo_1292048,PC-id_42341436	409.481	GOFTUSQSXQENFX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119116
C1(CNC(=O)C(C)NC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1	PC-id_46049564,EMOLS-id_25387156,MCULE-4430168792	409.481	VNVDVHGGDIHWJR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119117
C1(CNC(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1	MCULE-3605555033,EMOLS-id_35951928,PC-id_83283548	409.481	PBAVRASDSZHYNQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119118
c1(C(=O)N2CCCC2)cc2n(CCCN(C(=O)C(=O)Nc3ccccc3CC)C2)n1	MCULE-5083813940,ZINC22_65387267,PC-id_50957251,EMOLS-id_32385448	409.481	ZNQFIZGLSXBJBM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119119
C1N(CCC1)C(=O)CN(C)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	MCULE-9622275569,EMOLS-id_25387574,PC-id_46049573	409.481	RCFQHHFNXBBICY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119120
Cc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)o1	CoCoCo_1394385,CoCoCo_1394386,ZINC22_14995071,EMOLS-id_20583889,PC-id_26350554,MCULE-6821031989	409.481	MAMOBDBWMGLOLT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119121
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)o1	CoCoCo_1361772,PC-id_29259358,CoCoCo_1361773,ZINC22_20999896	409.481	FNRGOXVFBOCRON-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119122
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)o1	ZINC22_20999895,PC-id_29259357,CoCoCo_1361770,CoCoCo_1361771	409.481	FNRGOXVFBOCRON-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119123
CCc1ccc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)o1	PC-id_26326396,CoCoCo_1458101,CoCoCo_1458100,EMOLS-id_20626615,MCULE-7966164086,ZINC22_14967395	409.481	FCPHSJBEMRSVQU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119124
C[C@@H](C(=O)NCC1CC1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332118	409.481	VNVDVHGGDIHWJR-HNNXBMFYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119125
C[C@H](C(=O)NCC1CC1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332119	409.481	VNVDVHGGDIHWJR-OAHLLOKOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119126
CC(NC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1)C(=O)NC1CC1	EMOLS-id_25388614,PC-id_46050001,MCULE-1055406089	409.481	DYLQJOMVVYZYKL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119127
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccc(C)o3)CCn12	MCULE-4235521093,PC-id_45207738,EMOLS-id_20562263	409.481	FNRGOXVFBOCRON-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119128
CCOc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccco3)n2CC1	PC-id_26325106,EMOLS-id_20623759,CoCoCo_1453681,CoCoCo_1453682,ZINC22_14965314,MCULE-1511436216	409.481	ITEIWEHOMMNRLG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119129
CCOc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	CoCoCo_1480224,PC-id_26335581,EMOLS-id_20641081,CoCoCo_1480223,MCULE-5544155622,ZINC22_14980048	409.481	KZQDGUOARSETHU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119130
CCOc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1	EMOLS-id_20508573,CoCoCo_1283533,MCULE-2372398090,PC-id_29150044,CoCoCo_1283532,ZINC22_20775342	409.481	NGHAKIOBWCEXFQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119131
CCOc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1	CoCoCo_1392473,ZINC22_14994420,PC-id_26349834,CoCoCo_1392474	409.481	XGNCZXYNUBFPRS-MRXNPFEDSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119132
CCOc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1	ZINC22_14994423,CoCoCo_1392476,CoCoCo_1392475,PC-id_26349840	409.481	XGNCZXYNUBFPRS-INIZCTEOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119133
CN(Cc1ccccc1)C(=O)C1CCc2nn(Cc3c(C)noc3C)c(=O)n2CC1	MCULE-7167767884,EMOLS-id_207876737	409.481	IFCXIVDLPPBJND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119134
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(C)o3)CCn12	MCULE-9332648035,EMOLS-id_20441483,PC-id_28394074,CoCoCo_1188719,ZINC22_19840042,CoCoCo_1188718	409.481	CXDPPKGYDXYYSK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119135
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1C	CoCoCo_1260736,ZINC22_20599337,CoCoCo_1260735,PC-id_29085919	409.481	IMOONJVQZIJGRL-MRXNPFEDSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119136
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1C	CoCoCo_1260738,CoCoCo_1260737,ZINC22_20599338,PC-id_29085920	409.481	IMOONJVQZIJGRL-INIZCTEOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119137
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(C)cc2)CC3)o1	CoCoCo_1345625,ZINC22_20996117,PC-id_29256326,ChEMBL-DNDi_CHEMBL38705082,EMOLS-id_20551357,MCULE-6997983459,CoCoCo_1345624	409.481	RMBUPKMUALOOEU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119138
n12CCN(CCc1nnc2CCNC(=O)C1CCCO1)Cc1cc2c(cccc2)o1	EMOLS-id_20579327,MCULE-3663714822,PC-id_45211723	409.481	LJSYKVGLNGICRE-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-119139
o1c(ncc1c1ccc(OC)cc1)CCC(=O)NCCc1n2CCCCCc2nn1	PC-id_56198071	409.481	BCTGWBQFTZHAKU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119140
O(c1cc(CN2CCn3c(nnc3CNC(=O)c3c(oc(c3)C)C)CC2)ccc1)C	PC-id_42376284	409.481	MQRFJBHWSAEYQA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119141
O(c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1)Cc1c(onc1C)C	PC-id_55484005	409.481	SZNRLMQANPAVLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119142
O(c1c(OCC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1)CC(=O)N(C)C	PC-id_78650367	409.481	LOFHLNRWVVLRGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119143
O(c1c(OCC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)CC(=O)N(C)C	PC-id_8275449	409.481	LOFHLNRWVVLRGM-SFQUDFHCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119144
O=c1n2CCCCCc2nn1CC(=O)N(CCCc1onc(c1)c1ccccc1)C	PC-id_56329201	409.481	APMHMPLHTIDIQX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119145
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)NC1CC1	PC-id_93332584	409.481	DYLQJOMVVYZYKL-HNNXBMFYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119146
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)NC1CC1	PC-id_93332585	409.481	DYLQJOMVVYZYKL-OAHLLOKOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119147
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C)N1CCCC1	PC-id_93332440	409.481	FKQYDRRAJTVPFH-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119148
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C)N1CCCC1	PC-id_93332441	409.481	FKQYDRRAJTVPFH-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119149
O=C(N1CCCC1)CNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1	PC-id_42855024	409.481	BENZFFZLBFAWMJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119150
O=C(N1CCCC1)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C	PC-id_42854993	409.481	QTQHBJJLGCQWSU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119151
O=C(N1CCCC1)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)C	PC-id_46049566	409.481	FKQYDRRAJTVPFH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119152
O=C(N1CCCC1)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_46049689	409.481	LJOBWNWIDLHGCF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119153
O=C(N1C(CCC1)C(=O)NCC)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049865	409.481	OKABXSHPLQBTAN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119154
O=C(NC1CC1)CCNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1	PC-id_42855141	409.481	QSNAIXZJCUQAIK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119155
O=C(NC1CC1)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_42855090	409.481	XFIMRTFYDWTIII-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119156
O=C(NC1CC1)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C	PC-id_46159988	409.481	YKQAEHWXFTULJS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119157
O=C(NC1CC1)C(NC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_46159993	409.481	QPHUGBMDVDUPPB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119158
O=C(NC1CC1)CN(C(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_46159997	409.481	ADIHCCXYHKJIIE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119159
O=C(NC1CC1)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_42855082	409.481	KIANYUJZEPEKFY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119160
O=C(NC1CC1)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_46049963	409.481	ZIIVCGLTJHUTDB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119161
O=C(NC1CC1)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)C	PC-id_46050013	409.481	REYBUOYLHDASNE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119162
O=C(NCC1CC1)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_46049686	409.481	KOWGEWYTVRIXRB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119163
O=C(NCCc1nnc2n1CCN(Cc1cc3ccccc3o1)CC2)[C@H]1CCCO1	CoCoCo_1387448,ZINC22_14993040,PC-id_26348210,CoCoCo_1387446	409.481	LJSYKVGLNGICRE-LJQANCHMSA-N	00000010100000100101000001000010000000000000000000000000	31-01-119164
O=C(NCCc1nnc2n1CCN(Cc1cc3ccccc3o1)CC2)[C@@H]1CCCO1	ZINC22_14993038,CoCoCo_1387449,PC-id_26348207,CoCoCo_1387447	409.481	LJSYKVGLNGICRE-IBGZPJMESA-N	00000010100000100101000001000010000000000000000000000000	31-01-119165
Cc1cc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c2c(C)noc2n1	EMOLS-id_23970063,ZINC22_32882714,PC-id_40117699,CoCoCo_4526334,MCULE-5388153929	409.485	QMFCITHZWVBVFE-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-119166
CC(C(=O)NCCCc1nnc2n1CCCCC2)NC(=O)c1n[nH]c2c1cccc2	PC-id_86887354	409.485	OIAZPHUOLUSSDW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-119167
O=c1n2CCCCCc2nn1CC(=O)Nc1n(nc(C(C)(C)C)c1)c1ncccc1	PC-id_56550283	409.485	MEUCCWLLTWSQPY-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-119168
O=C(CC1CCn2c(CC1)nn(c2=O)Cc1cccnc1)NCc1cc(nn1C)C	EMOLS-id_207877307,MCULE-4488041638	409.485	NXUVJJPFYZKSIJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-119169
O=C(CC1CCn2c(CC1)nn(c2=O)Cc1cccnc1)NCCn1ccnc1C	MCULE-7751712900,EMOLS-id_207877295	409.485	LIGVVDQWJQQAEL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-119170
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCN1CC=Cc2c(C1=O)ccn2C	PC-id_18388587,SCHEMBL6896942	409.496	RLIJGNBPYSISFO-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-119171
Fc1ccc(cc1)S(=O)(=O)N1CC(C1)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_133227,MCULE-7924498884,ZINC22_19747211,BDB-25002400,PC-id_92632886	409.498	IWFYTRGAXNRLLV-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-119172
c1(NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_1094688,MCULE-7365728495,PC-id_1221112,CoCoCo_902596,ZINC22_996364	409.501	NLSKWKMKDKHKLM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119173
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)c1cc2c(s1)cccc2)C	PC-id_139572866,SCHEMBL21451564	409.501	WNJHBWSLDMWTIU-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-119174
COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1OCc1ccncc1	PC-id_25345233,ZINC22_12539550,CoCoCo_4715279,MCULE-7758447954,EMOLS-id_24106347	409.501	HTOMDSAGOJTVEN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119175
COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1OCc1ccncc1	ZINC22_31897311,CoCoCo_4776013,PC-id_39109218,EMOLS-id_44081712,MCULE-1639798124	409.501	JEWWJEMSWJJBCB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119176
O(c1cc(C[NH+]2CCn3c(nnc3CCc3ccccc3)CC2)cc(OC)c1O)C	PC-id_42327362	409.501	FRAXZBZWBANRNC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-119177
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1n(nc(c1)C)c1ccccc1	PC-id_7352111	409.501	RRIRSIWRZPSRGL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119178
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(Cn2nccc2)cc1)C(=O)OC	PC-id_52638629	409.501	WZKQMFDSKGTRKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119179
s1c2c(CCCCC2)c(c1NC(=O)Cc1nc(oc1C)c1ccccc1)C(=O)N	PC-id_55516327	409.501	NODPEJYLPPYGGU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119180
s1c2CCCCCc2c(c1NC(=O)CN(Cc1occc1)Cc1occc1)C#N	PC-id_26603658	409.501	JNWMORQIICRGCE-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-119181
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(=O)c1c2c([nH]c1C)cccc2	PC-id_39045120	409.501	HWRRXWUDEVFBEN-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-119182
S(=O)(=O)(NC(C)(C)C)c1oc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55652046	409.503	IHRFRGGHPCCLGW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-119183
c1(C(=O)NCCCc2ccccc2)cn2c(CCN(CC2)C(=O)c2cscn2)n1	EMOLS-id_331104813,ZINC22_1875245924,MCULE-9444157947	409.505	FNXYDOOGKHROJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119184
Cc1c(c(ccc1)C)NC(=O)C[NH+](C)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135552930	409.505	PGQXAWZPPNJRHI-ZCXUNETKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-119185
CCc1ccccc1NC(=O)C[NH+](C)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135552913	409.505	FRFYNVMAALOJSY-ZPHPHTNESA-O	00000000100000110101000000000010000000000000000000000000	31-01-119186
CN(Cc1nnc2n1CCCCC2)C(=O)c1ccc(NC(=O)c2cccs2)cc1	ZINC22_32865919,MCULE-3673992267,CoCoCo_4453006,EMOLS-id_24472587,PC-id_40100088	409.505	PBUYMJTWOWZEJY-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-119187
COc1ccccc1N1CC[NH+](CC1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135553081	409.505	FFGRCFDDMXTDCN-ZPHPHTNESA-O	00000000100010110101100000000010000000000000000000000000	31-01-119188
COc1ccc(cc1)N1CC[NH+](CC1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135779716	409.505	LPVNYSFOAOOZRR-VXPUYCOJSA-O	00000000100010110101100000000010000000000000000000000000	31-01-119189
COc1cccc(c1)N1CC[NH+](CC1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135779744	409.505	RQPMRVVGILLQDY-VXPUYCOJSA-O	00000000100010110101100000000010000000000000000000000000	31-01-119190
O=C(C[NH+]1CCN(CC1)c1ccc(OC)cc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78700521	409.505	OQCMSYOYOLMZNT-UHFFFAOYSA-O	00000011000010110111100000000010000000000000000000000000	31-01-119191
O=C(C[NH+]1CCN(CC1)c1ccc(OC)cc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8449003	409.505	OQCMSYOYOLMZNT-ZBJSNUHESA-O	00000011000010110111100000000010000000000000000000000000	31-01-119192
O=C(C[NH+]1CCN(CC1)c1cc(OC)ccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78700885	409.505	RIVJFKFYNKKVHN-UHFFFAOYSA-O	00000011000010110111100000000010000000000000000000000000	31-01-119193
O=C(C[NH+]1CCN(CC1)c1cc(OC)ccc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8450917	409.505	RIVJFKFYNKKVHN-ZBJSNUHESA-O	00000011000010110111100000000010000000000000000000000000	31-01-119194
O=C(C[NH+]1CCN(CC1)c1c(OC)cccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78639795	409.505	MJOQVWVUQXZYKA-UHFFFAOYSA-O	00000011000010110111100000000010000000000000000000000000	31-01-119195
O=C(C[NH+]1CCN(CC1)c1c(OC)cccc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8240049	409.505	MJOQVWVUQXZYKA-OQKWZONESA-O	00000011000010110111100000000010000000000000000000000000	31-01-119196
O=C(C[NH+](CC(=O)Nc1c(cccc1C)C)C)C(=C1N2CCCCCC2=NN1)C#N	PC-id_84837799	409.505	JLRWKVSSACMJCG-UHFFFAOYSA-O	00000011000000110111000000000010000000000000000000000000	31-01-119197
O=C(C[NH+](CC(=O)Nc1c(cccc1C)C)C)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8793724	409.505	JLRWKVSSACMJCG-OQKWZONESA-O	00000011000000110111000000000010000000000000000000000000	31-01-119198
O=C(C[NH+](CC(=O)Nc1c(CC)cccc1)C)C(=C1N2CCCCCC2=NN1)C#N	PC-id_84836961	409.505	DAMBHTIVPBAWOZ-UHFFFAOYSA-O	00000011000000110111000000000010000000000000000000000000	31-01-119199
O=C(C[NH+](CC(=O)Nc1c(CC)cccc1)C)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8789352	409.505	DAMBHTIVPBAWOZ-OQKWZONESA-O	00000011000000110111000000000010000000000000000000000000	31-01-119200
s1c2CCCCCc2cc1C(=O)Nc1ccc(NC(=O)C(n2ncnc2)C)cc1	PC-id_55621447	409.505	NVUIXMLNJZWMRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119201
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(n(nc1)c1ncccc1)CC	PC-id_55649536	409.505	IIVQGJCRGMWXCG-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-119202
s1c2CCCCCc2cc1C(=O)OCc1nc(Nc2c(cccc2)C)nc(n1)N	PC-id_7225093	409.505	KECSLVCYLIEPHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119203
s1c2CCCCCc2cc1C(=O)OCc1nc(Nc2ccc(cc2)C)nc(n1)N	PC-id_7631166	409.505	KYQMDWZXGBTNHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119204
s1c2CCCCCc2c(c1NC(=O)Cn1nc(c(CC)c(c1=O)C#N)CC)C#N	PC-id_56560553	409.505	TZVDFMJCABQCPF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-119205
s1cc(C(=O)Nc2c(C(=O)NCCc3n4CCCCCc4nn3)cccc2)cc1	PC-id_55552764	409.505	YOMLNKCKZARPBE-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-119206
s1c(C(=O)Nc2ccc(C(=O)NCCc3n4CCCCCc4nn3)cc2)ccc1	PC-id_55483366	409.505	HEBADSKEFPTGCS-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-119207
s1c(C(=O)NC(C(=O)NCc2n3CCCCCc3nn2)c2ccccc2)ccc1	PC-id_24676733	409.505	PWRGYMQHOKCUQF-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-119208
S(c1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)Cc1cccnc1	PC-id_36405357	409.505	NWGYRWVNIALIAT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119209
S(Cc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1)c1ncccc1	PC-id_56343098	409.505	NKFJBEUTQWANEM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119210
CCS1(C)NC(C)C=Cc2c1cn(c2C(=C)Nc1ccc(c(c1)C(F)F)F)C	SCHEMBL21337006,PC-id_139471013	409.511	WEGMBYRVLLSBEM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-119211
O=C(OCc1ccc(S(=O)(=O)N2CCCC2)o1)c1cc2c(s1)CCCCC2	MCULE-3914957948,ZINC22_58640256,PC-id_71895691,EMOLS-id_44530356	409.52	ORHIRJQUZSGYIK-UHFFFAOYSA-N	00000010101000000100000000000010000000000000000000000000	31-01-119212
s1c2CCCCCc2cc1C(=O)OCCN1/C(=C/C(=O)OCC)/SCC1=O	PC-id_7503706	409.52	CPSYBBPGMVFEPK-BOPFTXTBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-119213
s1c2CCCCCc2cc1C(=O)OCCN1C(=CC(=O)OCC)SCC1=O	PC-id_78492448	409.52	CPSYBBPGMVFEPK-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-119214
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)OC)C(=O)OC	PC-id_8742594	409.52	OLOOTSIJMSGODG-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-119215
CCC1=CC(=O)N(C(c2c1ccn2C)C(=O)NC(C)(C)C)Cc1ccc(cc1)OC	PC-id_102307895	409.521	WIOSBZPAEYNANG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-119216
COCCN(C(=O)C1C=Cc2c(C(=C1)OC(Cc1ccccc1)C)nc(n2C)C)C	PC-id_143426056	409.521	YCDQBFVNYGHBNM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-119217
Cc1oc(C(=O)Nc2nc3c(s2)CCCCC3)cc1S(=O)(=O)N1CCCC1	PC-id_47045032,ZINC22_48236088,MCULE-4554696452,EMOLS-id_31993451	409.523	ZRULAYBHOVADEW-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-119218
s1c2CCCCCc2nc1NC(=O)CCNS(=O)(=O)c1ccc(OC)cc1	PC-id_24611828	409.523	FGMDNCAEHZXEGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119219
s1c2CCCCCc2nc1NC(=O)[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C	PC-id_24611829	409.523	OQWZVDCTZAFXEZ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119220
s1c2CCCCCc2nc1NC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)C	PC-id_74303346	409.523	OQWZVDCTZAFXEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119221
S(=O)(=O)(N1CCCCC1)c1oc(cc1)C(=O)Nc1sc2CCCCCc2n1	PC-id_46411171	409.523	LWTKEHBJXBGWJT-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-119222
N#Cc1c(NC(=O)c2csc(n2)c2ccccc2OC)sc2c1CCCCC2	PC-id_94828344,EMOLS-id_50312389,MCULE-5354294527	409.524	DZVIWYSHNFQBJH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119223
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCCC1)c2)Cc1cccc(C)c1	PC-id_53034586,EMOLS-id_32633200,MCULE-9228223497	409.525	VZLDVIACVIXRFO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119224
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCCCC1)c2)Cc1ccccc1	MCULE-6896409151,EMOLS-id_32846040,PC-id_50798078	409.525	MBSKSAXTLGRCGY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119225
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCCCC1)c2)Cc1ccc(cc1)C	PC-id_50797921,EMOLS-id_32846122,MCULE-6421573407	409.525	WLXHUCBBDZSHMQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119226
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCCCC1)c2)Cc1cccc(C)c1	MCULE-7947580705,EMOLS-id_32633148,PC-id_53029191	409.525	OVBZBRLMFOPHJP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119227
C1CC1CN1CCNc2c(C1=O)n(c(n2)CNC1CCOCC1)Cc1ccccc1	PC-id_134805583	409.525	VQFDQKSWLQFLDE-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-119228
c1(CN(C)C(=O)C2CCC(=O)N(CCc3ccccn3)C2)c2CCCCCc2[nH]n1	EMOLS-id_20558691,PC-id_45206890,MCULE-5014932706	409.525	KNAZWLQHCQJYEO-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-119229
CC1(C)[C@H]2CC=C(CN3CCc4nnc(CCNC(=O)c5ccoc5)n4CC3)[C@@H]1C2	EMOLS-id_25991409,PC-id_42168940,CoCoCo_1170173,MCULE-2651279947,CoCoCo_1170172,ZINC22_11788405	409.525	SWWIPZORWPBDJM-OALUTQOASA-N	00001000101011000101001000000010000000000000000000000000	31-01-119230
C/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)CCNC(=O)[C@H]1CCCO1	CoCoCo_1423042,CoCoCo_1423046	409.525	DQQHDMPPLCVEFF-TXSJJRPESA-N	00000010100000110101000000000010000000000000000000000000	31-01-119231
C/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)CCNC(=O)[C@@H]1CCCO1	CoCoCo_1423044,CoCoCo_1423048	409.525	DQQHDMPPLCVEFF-ZWSWSHGQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119232
C/C(=Cc1ccccc1)/CN1CCc2nnc(CCNC(=O)C3CCCO3)n2CC1	EMOLS-id_44853271,PC-id_45217360	409.525	DQQHDMPPLCVEFF-FBMGVBCBSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119233
C/C(=Cc1ccccc1)/CN1CCc2nnc(CCNC(=O)[C@@H]3CCCO3)n2CC1	ZINC22_12150371,CoCoCo_1423049,CoCoCo_1423045	409.525	DQQHDMPPLCVEFF-IETCZJMGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119234
C/C(=Cc1ccccc1)/CN1CCc2nnc(CCNC(=O)[C@H]3CCCO3)n2CC1	ZINC22_12150372,CoCoCo_1423047,CoCoCo_1423043	409.525	DQQHDMPPLCVEFF-BONDDZEJSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119235
CC(CCCN1CC/C(=NO)/c2c(C1=O)cc[nH]2)N1CCN(CC1)c1ccccc1	PC-id_136446030	409.525	CQWVCRREXRXUJP-NJNXFGOHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119236
CC(=C)[C@@H]1CCC(=CC1)CN1CCc2n(CC1)c(nn2)CCNC(=O)c1cocc1	CoCoCo_1473644,CoCoCo_1473642	409.525	RPQNLVSDSHTAGQ-IBGZPJMESA-N	00000000101011000101000000000010000000000000000000000000	31-01-119237
CC(=C)[C@H]1CCC(=CC1)CN1CCc2nnc(CCNC(=O)c3ccco3)n2CC1	EMOLS-id_68897859,ZINC22_299774270,PC-id_118756757,MCULE-4850946919	409.525	FQVMEFSGFLCBRX-LJQANCHMSA-N	00000000101011000101000000000010000000000000000000000000	31-01-119238
CC(=C)[C@H]1CCC(=CC1)CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	MCULE-1498928276,EMOLS-id_26012995,CoCoCo_1473641,ZINC22_14976808,PC-id_26332815,CoCoCo_1473643	409.525	RPQNLVSDSHTAGQ-LJQANCHMSA-N	00000000101011000101000000000010000000000000000000000000	31-01-119239
C=CCOc1ccccc1CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1	ChEMBL-DNDi_CHEMBL35162140,PC-id_29214127,CoCoCo_1322255,CoCoCo_1322256,MCULE-7658658924,EMOLS-id_20535273,ZINC22_20911199	409.525	IPIKNIIUUYXTSH-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-119240
CN1CCC(c2c(C1=O)ccn2CCCCN1CCN(CC1)c1ccccc1)N=O	PC-id_91538924	409.525	XRSPABZVXIAFBI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119241
CN1CC(C(=NO)c2c(C1=O)cc[nH]2)CCCCN1CCN(CC1)c1ccccc1	SCHEMBL7984595,PC-id_136446029	409.525	ZDDIUBSLHKJUSR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119242
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CCC(=O)N(CCc2ccccn2)C1	CoCoCo_1356590,PC-id_25287421,ZINC22_12447321,CoCoCo_1356592	409.525	KNAZWLQHCQJYEO-KRWDZBQOSA-N	00000000100010101101000000000010000000000000000000000000	31-01-119243
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CCC(=O)N(CCc2ccccn2)C1	CoCoCo_1356591,CoCoCo_1356593,PC-id_25287420,ZINC22_12447319	409.525	KNAZWLQHCQJYEO-QGZVFWFLSA-N	00000000100010101101000000000010000000000000000000000000	31-01-119244
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)CCNC(=O)C1CCC1	CoCoCo_1243114,CoCoCo_1243112	409.525	PPAWWHCZASJIOC-ARJAWSKDSA-N	00001000100000110101000000000010000000000000000000000000	31-01-119245
COc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)CC1CCC=CC1	ChEMBL-DNDi_CHEMBL46736216,PC-id_45166817	409.525	PWZZZIKUNFQNIZ-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-119246
COc1ccc(/C=C/CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1	CoCoCo_1243113,PC-id_42238751,CoCoCo_1243115,ZINC22_11871836,EMOLS-id_44851939	409.525	PPAWWHCZASJIOC-ONEGZZNKSA-N	00001000100000110101000000000010000000000000000000000000	31-01-119247
CON=C1CCN(C(=O)c2c1ccn2C)CCCN1CCN(CC1)c1ccccc1	SCHEMBL6998161,PC-id_54333338	409.525	SZWIKCSSGAFKHU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119248
CO/N=C
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n12CCN(CCc1nnc2CCNC(=O)C1CCC1)CC=Cc1ccc(cc1)OC	MCULE-4163486765,PC-id_74784769	409.525	PPAWWHCZASJIOC-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-119250
n12CCN(CCc1nnc2CCNC(=O)C1CCCO1)CC(=Cc1ccccc1)C	PC-id_75100818,MCULE-5992189116	409.525	DQQHDMPPLCVEFF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119251
O=c1n2CCCCCc2nn1CC(=O)N(C(CC(C)C)C)c1cc2c([nH]cc2)cc1	PC-id_56423712	409.525	ZCTSJCGXWVAEKI-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-119252
O=C1N(CC(C1)C(=O)NCc1n2CCCCCc2nn1)c1ccc(cc1)CCCC	PC-id_60426382	409.525	HGZQIJDBILGVRU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119253
O=C1N(CCCCN2CCN(CC2)c2ccccc2)CC/C(=N/O)/c2c1n(cc2)C	PC-id_20083194,SCHEMBL6989075	409.525	GRHSZFBTKBMLSO-FLFQWRMESA-N	00000000100010110101100000000010000000000000000000000000	31-01-119254
O=C1N(CCCCN2CCN(CC2)c2ccccc2)CCC(N=O)c2c1n(cc2)C	PC-id_54423259	409.525	WCHDZYLFHPTPBW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119255
O=C1N(CCCCN2CCN(CC2)c2ccccc2)CCC(=NO)c2c1n(cc2)C	PC-id_73658798	409.525	GRHSZFBTKBMLSO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119256
O=C1N(CCCN2CCN(CC2)c2ccccc2)CCC(N=O)c2c1n(cc2)CC	PC-id_53787656	409.525	DZRCXSRAORNZEO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119257
O=C1N(CCCN2CCN(CC2)c2ccccc2)CCC(=NO)c2c1n(cc2)CC	PC-id_73658809	409.525	FZEYAWZMNXFOHK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119258
O=C1N(CCCN2CCN(CC2)c2ccccc2)CC/C(=N/O)/c2c1n(cc2)CC	SCHEMBL6993431,PC-id_20083221	409.525	FZEYAWZMNXFOHK-FLFQWRMESA-N	00000000100010110101100000000010000000000000000000000000	31-01-119259
O=C1N(CCCN2CCN(CC2)c2ccccc2)CC=C(NOC)c2c1n(cc2)C	PC-id_54139951	409.525	OAJZLYZZJBGOFD-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-119260
O=C1N(CCCn2nc(cc12)C(=O)NCCN1CCCCCC1)Cc1ccccc1	PC-id_20964720,CoCoCo_2544518	409.525	FBOPSAGKCWCEPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119261
O=C1N(CCC(=NO)c2c1n(CCCCN1CCN(CC1)c1ccccc1)cc2)C	PC-id_44212567	409.525	UHOCTGKNKGMRDX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119262
O=C1N(CCC(N=O)c2c1n(CCCCN1CCN(CC1)c1ccccc1)cc2)C	PC-id_54416288	409.525	VXRAYGLBUMFZEQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119263
O=C1N(CC/C(=N/O)/c2c1n(CCCCN1CCN(CC1)c1ccccc1)cc2)C	PC-id_9822785,SCHEMBL7140268	409.525	UHOCTGKNKGMRDX-FLFQWRMESA-N	00000000100010110101100000000010000000000000000000000000	31-01-119264
O=C1N(CCC(=NO)c2n(CCCCN3CCN(CC3)c3ccccc3)ccc12)C	PC-id_59939358	409.525	MJMOTLURNLLNQP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119265
O=C1N(CC/C(=N/O)/c2n(CCCCN3CCN(CC3)c3ccccc3)ccc12)C	SCHEMBL6993822,PC-id_21258046	409.525	MJMOTLURNLLNQP-FLFQWRMESA-N	00000000100010110101100000000010000000000000000000000000	31-01-119266
O=C(c1cocc1)NCCc1nnc2n1CCN(CC2)CC1=CC[C@@H]2C[C@H]1C2(C)C	CoCoCo_1170171,CoCoCo_1170170	409.525	SWWIPZORWPBDJM-RTBURBONSA-N	00001000101011000101001000000010000000000000000000000000	31-01-119267
O=C(Nc1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1)C1CCCCC1	PC-id_55652022	409.525	XKODHLNGUQDZAO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119268
O=C(NCC1N(CCC1)CC)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C	PC-id_50797885	409.525	JHWDVXVDDADFDN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119269
O=C(NCCc1n2CCCCCc2nn1)C1CCCN(C1)C(=O)c1ccc(cc1)C	PC-id_55626844	409.525	BEDGDHHPKRFWTG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119270
O=C(NCCc1n2CCN(CC3=CCC4C(C3C4)(C)C)CCc2nn1)c1ccoc1	PC-id_74780716	409.525	SWWIPZORWPBDJM-UHFFFAOYSA-N	00001000101011000101001000000010000000000000000000000000	31-01-119271
O=C(NCCc1n2CCN(CC3=CCC(CC3)C(=C)C)CCc2nn1)c1ccoc1	PC-id_74497481	409.525	RPQNLVSDSHTAGQ-UHFFFAOYSA-N	00000000101011000101000000000010000000000000000000000000	31-01-119272
O=C(NCCc1n2CCN(C[C@@H]3CCC=CC3)CCc2nn1)c1ccc(OC)cc1	PC-id_42363234	409.525	PWZZZIKUNFQNIZ-SFHVURJKSA-N	00000000100011110101000000000010000000000000000000000000	31-01-119273
O=C(NCCc1n2CCN(C[C@H]3CCC=CC3)CCc2nn1)c1ccc(OC)cc1	PC-id_42363237	409.525	PWZZZIKUNFQNIZ-GOSISDBHSA-N	00000000100011110101000000000010000000000000000000000000	31-01-119274
ON=C1CCN(C(=O)c2c1[nH]cc2)CCCC(N1CCN(CC1)c1ccccc1)C	SCHEMBL7984597	409.525	CQWVCRREXRXUJP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119275
C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc(S(=O)(=O)N)cc1	PC-id_25970319,CoCoCo_4054340,ZINC22_14162957	409.526	AWKJONABDUGFJB-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119276
C[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc(S(=O)(=O)N)cc1	ZINC22_14162961,PC-id_25970325,CoCoCo_4054341	409.526	AWKJONABDUGFJB-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119277
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1	MCULE-2587545175,PC-id_7876720,ZINC22_6097173,EMOLS-id_45708080	409.526	GAXONCHMGCGOBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119278
CNS(=O)(=O)c1cc(NC(=O)CSc2nnc3n2CCCCC3)ccc1C	MCULE-1066280243,EMOLS-id_11823049,CoCoCo_4054367,PC-id_8379608,ZINC22_7281104	409.526	ZJDNNJCNZIFPOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119279
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nnc3n2CCCCC3)cc1	EMOLS-id_45708084,PC-id_4856590,ZINC22_6097277,MCULE-1321624541	409.526	GBRYPFYGYGILLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119280
O=C(NC(c1ccc(cc1)S(=O)(=O)N)C)CSc1nnc2n1CCCCC2	EMOLS-id_43952075,MCULE-1583959805,PC-id_17565401	409.526	AWKJONABDUGFJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119281
s1c2c(CCCCCC2)c(c1NC(=O)CSc1nc([nH]n1)N)C(=O)OCC	PC-id_4284203	409.526	RRJFYKLBERJZFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119282
S(c1n2CCCCCc2nn1)Cc1c(c(sc1C(=O)NC)N)C(=O)OCC	PC-id_7877158	409.526	XPMZIFHVVAJBNQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-119283
S(=O)(=O)(N1C(CCC1)C(=O)NCc1n2CCCCCc2nn1)c1sccc1	PC-id_56298742	409.526	ARNHPNLFYCVROP-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-119284
c1(N)c(sc(Nc2ccccc2)n1)C(=O)Nc1c(C#N)c2c(CCCCC2)s1	ZINC22_13573702,PC-id_23102169,EMOLS-id_50245623,MCULE-8744578459	409.528	RIXJZGQEMRBVHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119285
C=CCn1c(=O)/c(=Cc2cccs2)/s/c/1=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3610877	409.528	FTPZNTLPMHYUOW-PNGQTJDWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-119286
C=CCn1c(=O)/c(=Cc2cccs2)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3610878	409.528	FTPZNTLPMHYUOW-IROGVFDJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-119287
C=CCn1c(=O)/c(=C/c2cccs2)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	PC-id_2312086,CoCoCo_3610880	409.528	FTPZNTLPMHYUOW-MLTGRMFNSA-N	00000000100100000101000000000010000000000000000000000000	31-01-119288
C=CCn1c(=O)c(=Cc2cccs2)sc1=C(c1nnc2n1CCCCC2)C#N	PC-id_4419893,EMOLS-id_44488418,MCULE-4391010282	409.528	FTPZNTLPMHYUOW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-119289
C=CCn1c(=O)/c(=C/c2cccs2)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	ZINC22_3174840,PC-id_2312084,CoCoCo_3610879	409.528	FTPZNTLPMHYUOW-VWPUUCPESA-N	00000000100100000101000000000010000000000000000000000000	31-01-119290
CCNC(=NCc1ccc(cc1)N1CCCC1=O)NCc1nnc2n1CCCCC2	PC-id_111412798	409.528	LEXCVZPKYYWZLD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119291
CCNC(=NCCc1nnc2n1CCCCC2)NC1CN(C(=O)C1)c1ccccc1	PC-id_111913439	409.528	KDAWTAXXPXZTQN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119292
CN=C(NC1CN(C(=O)C1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111913012	409.528	CPVFOLGDUPNNSF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119293
CN=C(NCc1ccc(cc1)N1CCCC1=O)NCCc1nnc2n1CCCCC2	PC-id_111412902	409.528	RVTUNEKJQWJRSU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119294
N#Cc1c(NC(=O)Cc2csc(c3ncccn3)n2)sc2c1CCCCCC2	EMOLS-id_44543590,MCULE-4506098747,ZINC22_65507126,PC-id_71888452	409.528	APQAYDOLXUCAMZ-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-119295
s1c2c(CCCCC2)c(c1NC(=O)CN1CC[NH+](CC1)Cc1ccccc1)C#N	PC-id_51589814	409.568	QKVSAIRVTZPIGD-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-119353
N#Cc1c(NC(=O)CSc2nc(c3ccccc3)n[nH]2)sc2c1CCCCC2	CoCoCo_3143836,CoCoCo_3143835,CoCoCo_3143834,MCULE-7720701803,CoCoCo_3143837,PC-id_5163374,EMOLS-id_43791863,ZINC22_6788534	409.528	VIKGMZTWMLFMPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119296
N#Cc1c(NC(=O)CSc2nncn2c2ccccc2)sc2c1CCCCC2	PC-id_5211854,MCULE-2510888987,EMOLS-id_5115753,CoCoCo_2970755,ZINC22_7986712	409.528	RDUJLVRMBUNRTM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119297
O=Cc1sc2c(c1N=CN(C1=Cc3scnc3C=CC1)C)c(ccn2)N(C)C	PC-id_143160474	409.528	DDTQHHGQMZGHGT-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-119298
s1c2CCCCCc2c(c1NC(=O)CSc1nn(c2ccccc2)cn1)C#N	PC-id_3352831	409.528	JPNVPVLMJJQLCC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119299
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)c1=Cc1sccc1)CC=C	PC-id_2312085	409.528	FTPZNTLPMHYUOW-NFHDIGRISA-N	00000000100100000101000000000010000000000000000000000000	31-01-119300
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1sccc1)CC=C	PC-id_2312087	409.528	FTPZNTLPMHYUOW-YASMPPRPSA-N	00000000100100000101000000000010000000000000000000000000	31-01-119301
c1(NC(=O)CCCC(=O)O)sc2c(CCCCCCCCCC2)c1C(=O)OC	TIMTEC32883,MCULE-6728531901,EMOLS-id_4089237,PC-id_4176451,CoCoCo_6790039,ZINC22_4614545,SPECS-id_AK-968/15360025	409.54	AEKWQQWHJISPRB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119302
c1(NC(=O)CCC(=O)O)sc2c(CCCCCCCCCC2)c1C(=O)OCC	EMOLS-id_4089239,TIMTEC258096,SPECS-id_AK-968/14001124,MCULE-8265007244,ZINC22_2753570,PC-id_4647374,CoCoCo_6785442	409.54	KDOMMGRSVFMUFT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119303
s1c2CCCCCc2cc1C(=O)OCC(=O)C=C1N(c2c(C1(C)C)cccc2)C	PC-id_7225092	409.541	QREUODABCJAORI-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-119304
S(=O)(=O)(NCCCCc1c2-c(c(c1)C=O)ccc(C(C)C)cc2)c1ccccc1	PC-id_10250974	409.541	RDJXVXQXNGMSBV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-119305
c1(NC(=O)CCC(=O)N(CCC)CCC(=O)OCC)sc2c(CCCCC2)n1	EMOLS-id_334798849,MCULE-1421025726	409.543	MOZRIUSKQCSHII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119306
s1c2c(CCCCC2)c(c1NC(=O)CN(CC(=O)N(CC)CC)C)C(=O)OC	PC-id_8692405	409.543	UXDFMZHTGJNISE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119307
s1c2c(CCCCC2)c(c1NC(=O)CN(CC(=O)NC(C)(C)C)C)C(=O)OC	PC-id_8766885	409.543	VYOKFAXQMDKRHR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119308
s1c2c(CCCCC2)c(c1NC(=O)CN(CC(=O)NC(C)C)CC)C(=O)OC	PC-id_8907462	409.543	YTPPLOMVYNHAMN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119309
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C	PC-id_9426552	409.543	MTDHAZXSRNWQOA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119310
CNCC[C@@H](c1cccs1)Oc1ccc(cc1)CN1CCCn2c(C1=O)ccc2	PC-id_142566998	409.544	WASUQIPUMWYRNJ-NRFANRHFSA-N	00000000100100110101000000000010000000000000000000000000	31-01-119311
COc1ccc(cc1)C(C1CC1)NCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_112804471	409.544	MXLGEMLWKNJXIJ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-119312
COc1ccc(cc1)C(c1nccn1C)NC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_19975774,MCULE-7825156055,PC-id_24625813	409.544	PYJYPTRNPUZPBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119313
COc1ccc([C@@H](NC(=O)c2cc3c(s2)CCCCCC3)c2nccn2C)cc1	ZINC22_22471119,PC-id_30340835,CoCoCo_4358433	409.544	PYJYPTRNPUZPBQ-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119314
COc1ccc([C@H](NC(=O)c2cc3c(s2)CCCCCC3)c2nccn2C)cc1	ZINC22_22471123,CoCoCo_4358432,PC-id_30340840	409.544	PYJYPTRNPUZPBQ-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119315
O=C(CC1=CCCCC1)N1CCc2nc(sc2CC1)C(=O)NCc1ccccc1	EMOLS-id_313790521,ZINC22_1146733977	409.544	GPIXWPWRFPCZHR-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-119316
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)C(c1ccc(OC)cc1)C#N	PC-id_78823954	409.544	FPKKQPJIZLGYRO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119317
s1c2c(CCCCC2)c(c1NC(=O)CN1C(CCC1)c1ccc(OC)cc1)C#N	PC-id_46802363	409.544	UFAOQDZQIQULIO-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-119318
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(OC(C1)C)c1ccccc1)C#N	PC-id_56100558	409.544	CCVJSYZBNWVITA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119319
s1c2CCCCCc2c(c1NC(=O)CN(Cc1ccc(OC)cc1)CC=C)C#N	PC-id_52689002	409.544	NVVBHXRUTKOOAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119320
s1c2CCCCCCc2cc1C(=O)Nc1c(c2onc(n2)C(C)C)cccc1C	PC-id_56450962	409.544	FACUSGVIBMIODT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119321
c1ccc(cc1)CCc1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)c1ccccc1	PC-id_42500527,GD-id_ZINC12281048	409.546	HJWBCSXWWRNCQB-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-119322
Cc1ccc([C@H](C)CCN2CCc3nnc(CNS(=O)(=O)C(C)C)n3CC2)o1	ZINC22_12037359	409.546	NNOCIKQVJNCDBP-OAHLLOKOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-119323
Cc1ccc([C@@H](C)CCN2CCc3nnc(CNS(=O)(=O)C(C)C)n3CC2)o1	ZINC22_12037362	409.546	NNOCIKQVJNCDBP-HNNXBMFYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-119324
CC(C)S(=O)(=O)NCc1nnc2CCN(CCC(C)c3ccc(C)o3)CCn12	EMOLS-id_232731942,MCULE-4963080210,PC-id_45198780,ChEMBL-DNDi_CHEMBL32598595	409.546	NNOCIKQVJNCDBP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-119325
CN1CCC(CC1)N1CCN(CC1)S(=O)(=O)c1cc2n(c1)CCCN(C2=O)C	PC-id_53182893	409.546	JRQBMVZSZNFCBD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-119326
Cc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)s1	ZINC22_15001164,PC-id_26356965,EMOLS-id_20592779,CoCoCo_1407381,CoCoCo_1407380,MCULE-6658435845	409.548	HTFFRVSQIAOGBI-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-119327
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)N)c1ccc(c(c1)C)C	PC-id_89607941,SCHEMBL15002028	409.548	HFXPIYBYRYHLEJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119328
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(c2ccccn2)CC1	CoCoCo_4225236,PC-id_9459386,ZINC22_24573653,CoCoCo_4225235	409.548	WIXHISICSWPFIY-INIZCTEOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-119329
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(c2ccccn2)CC1	PC-id_9459388,CoCoCo_4225237,CoCoCo_4225238,ZINC22_24573649	409.548	WIXHISICSWPFIY-MRXNPFEDSA-N	00000000100010101101100000000010000000000000000000000000	31-01-119330
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cccs1)CC2	CoCoCo_1314245,ZINC22_12127421,CoCoCo_1314244,PC-id_42420663	409.548	VSNVBXIBXZVYLW-QGZVFWFLSA-N	00000000100100110101000000000010000000000000000000000000	31-01-119331
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cccs1)CC2	PC-id_42420667,CoCoCo_1314247,CoCoCo_1314246,ZINC22_12127427	409.548	VSNVBXIBXZVYLW-KRWDZBQOSA-N	00000000100100110101000000000010000000000000000000000000	31-01-119332
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3cccs3)CCn12	ChEMBL-DNDi_CHEMBL33974384,MCULE-2149263980,EMOLS-id_20529725,PC-id_45200261	409.548	VSNVBXIBXZVYLW-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-119333
N#Cc1c(NC(=O)CCN2CCN(c3ccccn3)CC2)sc2c1CCCCC2	CoCoCo_3571625,ZINC22_23805667,PC-id_8546057,MCULE-1692682982,CoCoCo_3571626,EMOLS-id_11737327	409.548	TVDJHRSPYJRFBX-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-119334
N#Cc1c(NC(=O)C(N2CCN(CC2)c2ccccn2)C)sc2c1CCCCC2	EMOLS-id_11967988,PC-id_17421358,MCULE-7225252997	409.548	WIXHISICSWPFIY-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-119335
N#Cc1c(NC(=O)CN2CCN(CC2)Cc2ccncc2)sc2c1CCCCC2	PC-id_112801324	409.548	YKPAOTALYMHQMW-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-119336
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ncccc1)C#N	PC-id_34727960	409.548	IIJCVXUZYZBZQD-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-119337
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ncccc1)C#N	PC-id_22199394	409.548	NADQYNGFJIQOAI-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-119338
CNCCc1c(CCC)[nH]c2=CCC(=CC=c12)CNc1ccc(c(c1)OCC)OC	PC-id_138711662,SCHEMBL21088794	409.564	IIYJUYXMBSDFAQ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-119339
CN(Cc1ccc(cc1)C(C(=C)c1c[nH]c2=CC=CCC=c12)Nc1cccc(c1)C)C	SCHEMBL21228429,PC-id_139374364	409.566	PMJRUACCGGYNIG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-119340
s1c2c(CCCCC2)c(c1NC(=S)NCCCN1CCCC1=O)C(=O)OC	PC-id_20167481	409.566	XRUQPPNNSYZOJZ-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-119341
Cc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c(C)c1	PC-id_29211894,EMOLS-id_20532045,MCULE-7208657572,CoCoCo_1317512,ZINC22_20908850,CoCoCo_1317511	409.568	JKMQVKZVROUCRK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119342
CC(CCC=C(C)C)CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1	EMOLS-id_20491619,PC-id_45191603,MCULE-7782786607	409.568	XKEWMCNIGWGSMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119343
CC(=CCC[C@@H](C)CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1)C	CoCoCo_1259133,ZINC22_12034758,CoCoCo_1259131	409.568	XKEWMCNIGWGSMH-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119344
CC(=CCC[C@H](C)CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1)C	ZINC22_12034754,CoCoCo_1259132,CoCoCo_1259130	409.568	XKEWMCNIGWGSMH-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119345
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(CC1CCCCC1)CC2	CoCoCo_1462632,CoCoCo_1462633,ZINC22_19781896	409.568	OSAZWIGVQVQFPI-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119346
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(CC1CCCCC1)CC2	ZINC22_19781897,CoCoCo_1462635,CoCoCo_1462634	409.568	OSAZWIGVQVQFPI-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-119347
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(CC3CCCCC3)CCn12	ChEMBL-DNDi_CHEMBL58777677,MCULE-4944285392,EMOLS-id_20629579,PC-id_45223591	409.568	OSAZWIGVQVQFPI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119348
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)CCCc1ccccc1	PC-id_42342290,ZINC22_11997426,MCULE-7213463354,CoCoCo_1256576,EMOLS-id_20489841,CoCoCo_1256577	409.568	ZXTZTUTXDHKSIY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119349
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1ccccc1)C#N	PC-id_8688141	409.568	YLLFVPAQJNRTDO-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-119350
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1ccccc1)C)C#N	PC-id_9250263	409.568	OKWCLLFVPBOMTL-KRWDZBQOSA-O	00000000100010110101100000000010000000000000000000000000	31-01-119351
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1ccccc1)C)C#N	PC-id_9250265	409.568	OKWCLLFVPBOMTL-QGZVFWFLSA-O	00000000100010110101100000000010000000000000000000000000	31-01-119352
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1ccccc1)C)C#N	PC-id_84963533	409.568	OKWCLLFVPBOMTL-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-119354
O=C(NC(C)(C)C)C[NH+]1CCN(CC1)C(=O)CSc1nnc2n1CCCCC2	GD-id_ZINC08539017,PC-id_40763206	409.569	JSTODYFBVFXZEL-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-119355
CCNC(=NCc1ccc(cc1)CN1CCCC1)NCc1nnc2n1CCCCC2	PC-id_111393727	409.571	ALEXYAINHWTEKH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119356
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1cccc(c1C)C	PC-id_111238381	409.571	AOYHQSFGYXJYDP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119357
CCNC(=NCc1nnc2n1CCCCC2)NC1CC(N(C1)Cc1ccccc1)C	PC-id_109725843	409.571	DCYZQTIYOYFLLL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119358
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(CC1)Cc1ccccc1	PC-id_110986994	409.571	IPXZURXTTQPFGX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119359
CCNC(=NCc1nnc2n1CCCCC2)NC(c1cccc(c1)N1CCCC1)C	PC-id_109646799	409.571	DSNMEMISKNAMJP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119360
CCNC(=NCc1nnc2n1CCCCC2)NCC1CCCN1Cc1ccccc1	PC-id_111583814	409.571	PYOYKSPESHETQF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119361
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccccc1)N1CCCC1	PC-id_111326318	409.571	JGAOQBKFUOXHMF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119362
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(C1)c1ccc(cc1)C	PC-id_111924215	409.571	CUCHLHFFRDXYHX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119363
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccccc1	PC-id_110961373	409.571	OCXVQXZOORUKIT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119364
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(C1)c1ccccc1	PC-id_111909859	409.571	ZZFIQIDCXTWWRB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119365
CN=C(N1CCN(CC1)c1cccc(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_111421409	409.571	JBGXNPLIDKOHGP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119366
CN=C(N1CCN(CC1)C(c1ccccc1)CC)NCc1nnc2n1CCCCC2	PC-id_109545114	409.571	FLQXTYGDBUJFBZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119367
CN=C(N1CCN(CC1)Cc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_110959979	409.571	KZVFRJLABWSTAX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119368
CN=C(NC1CCCN(C1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_112081617	409.571	NTZDPHQUZGEZFD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119369
CN=C(NC1CC(N(C1)Cc1ccccc1)C)NCCc1nnc2n1CCCCC2	PC-id_109725857	409.571	RSABRZZOUHSKQL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119370
CN=C(NC1CCN(CC1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_112078191	409.571	VRGSZMHXZYESNR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119371
CN=C(NC1CCN(CC1)Cc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_110987340	409.571	NTAGQZYESGTLNM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119372
CN=C(NC1CCN(C(C1)C)Cc1ccccc1)NCc1nnc2n1CCCCC2	PC-id_109457316	409.571	TWLPCWVPFDLZGG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119373
CN=C(NCc1ccc(cc1)CN1CCCC1)NCCc1nnc2n1CCCCC2	PC-id_111393799	409.571	WHGKWSLPVIMCKC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119374
CN=C(NC(c1cccc(c1)N1CCCC1)C)NCCc1nnc2n1CCCCC2	PC-id_109646819	409.571	APVIVVUCEODGBR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119375
CN=C(NCC1CCCN1Cc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111583578	409.571	CUUPLEZBSJMKDC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119376
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1)CN1CCCCC1	PC-id_111411133	409.571	HECCIVOFVKMOAZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119377
CN=C(NCC(c1ccccc1)N1CCCC1)NCCc1nnc2n1CCCCC2	PC-id_111325810	409.571	DWOSMRSEKDLAHR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119378
s1c2c(CCCCC2)c(c1NC(=O)CSCc1sccc1)C(=O)OCC	PC-id_4647159	409.586	UWZRCYXWBHKQON-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-119379
O=C(c1[nH]c2c(c1C)CCCCCCCCCCCCCC2)OCc1ccccc1	PC-id_101443384	409.604	NPEGODKBFZAAOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119380
S(C1CCCCC1)CCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_24111299	409.606	MEKQZMOXALWFRK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-119381
S(C1CCCCC1)CCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_24056701	409.606	CXQGWVGTUKAEEC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-119382
S(C1CCCCC1)C(C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_23933550	409.606	NZFPDUFOMVMJNB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-119383
CCCCCCc1nc(c2n1CCCN(C2)C)C(N[C@@H](C(C)(C)C)OCNC)O	SCHEMBL12882337,PC-id_70792941	409.609	PUBCAQXFHBZCKZ-BPGUCPLFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119384
O(C(NC(O)c1nc(n2c1CN(CCC2)C)CCCCCC)C(C)(C)C)CNC	PC-id_77921963	409.609	PUBCAQXFHBZCKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119385
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)CCC)C(=O)OCC	PC-id_20180740	409.609	HLVFKBRYKOBKKN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-119386
s1c2c(CCCCC2)c(c1NC(=S)NC1CCN(CC1)CCC)C(=O)OC	PC-id_20180217	409.609	PPHCAZFZIYSDJI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-119387
s1c2c(CCCCC2)c(c1NC(=S)NC1CCN(CC1)C(C)C)C(=O)OC	PC-id_20180297	409.609	UZYLQVBMLQCLQB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-119388
s1c2c(CCCCC2)c(c1NC(=S)NC1CCN(CC1)CC)C(=O)OCC	PC-id_20180171	409.609	UQPQOKMAIFCUHF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-119389
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)CCC)C(=O)OC	PC-id_20180733	409.609	VFABRTXEJSKHOJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-119390
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)CC)C(=O)OCC	PC-id_19654872	409.609	BAYWCPZNLKLODC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-119391
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCN(CC1)CC)C(=O)OC	PC-id_20180164	409.609	YKMAOUSCWPZYTF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-119392
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCN(CC1)C)C(=O)OCC	PC-id_20180101	409.609	XKCVFLHYVUGDSD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-119393
CCC1=C(Cl)CCC=C(C=C1)C(=O)Nc1[nH]c2c(n1)/C=C/OC(O/C=C/2)(F)F	PC-id_145689567	409.814	YOTRSMFZWSWLJM-IOCPYHMASA-N	00000000100000000111000000000010000000000000000000000000	31-01-119395
Clc1cc([N+](=O)[O-])c(c2oc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_78650324	409.826	UCIGNJAONIMOKQ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-119396
Clc1cc([N+](=O)[O-])c(c2oc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_8275327	409.826	UCIGNJAONIMOKQ-JLHYYAGUSA-N	00000000101000110101100000000010000000000000000000000000	31-01-119397
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccn1)c2)Cc1ccc(cc1)Cl	EMOLS-id_32632874,PC-id_53034509,MCULE-4801078559	409.869	PKHWNWZZEUJIJK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119398
ClC1=CCc2c(NC1)n(Cc1ccc(cc1)C(=O)Nc1ccccc1N)c(=O)[nH]2	PC-id_143247672	409.869	WXSWGFJUABUKEG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-119399
COCCC(=O)NC(C)c1nnc2CCN(Cc3c(F)cccc3Cl)CCn12	PC-id_45221848,MCULE-8116982330,EMOLS-id_20622235	409.886	CDODVJJHQGKOOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119400
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2	CoCoCo_1451398,ZINC22_14964218,CoCoCo_1451399	409.886	CDODVJJHQGKOOB-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119401
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2	ZINC22_14964222,CoCoCo_1451396,CoCoCo_1451397	409.886	CDODVJJHQGKOOB-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119402
COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)cc(Cl)c1OCC(=O)N	EMOLS-id_16815305,CoCoCo_4546266,ZINC22_12821818,MCULE-7796778506,PC-id_24604001	409.887	POTIBPPBMCCKRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119403
Clc1ccc(OCC(=O)NNC(=O)CSc2n3CCCCCc3nn2)cc1	PC-id_7876790	409.89	VJSRRLYSNSPCFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119404
Clc1cc(C(=O)NNC(=O)CSc2n3CCCCCc3nn2)c(OC)cc1	PC-id_7876792	409.89	RLHZMVDTAVNCFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119405
Clc1c(C(=O)NCCC(=O)Nc2sc3CCCCCCc3n2)ccc(F)c1	PC-id_56022752	409.905	XPIZIOTXAAHLLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119406
CCSC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)Cl	SCHEMBL691247,PC-id_58256647	409.91	UJCDIPXMNAVMTJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-119407
Clc1cc(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)ccc1C#N	PC-id_52699094	409.91	NGACKGPESYCLRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119408
c1(CN(c2ccccc2C)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	CoCoCo_2580256,EMOLS-id_10085732,ZINC22_4518185,MCULE-3994865172,ChEMBL-DNDi_CHEMBLF2559-0270,PC-id_7267314	409.912	QUUXDQHLRZMNNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119409
c1(CN(c2ccc(cc2)C)C(=O)Nc2ccccc2Cl)nnc2CCCCCn12	EMOLS-id_10087040,ZINC22_4518111,CoCoCo_2580201,MCULE-2306952627,PC-id_7267261,ChEMBL-DNDi_CHEMBLF2559-0119	409.912	CTRVYIBKMSOAOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119410
c1(CN(c2ccccc2C)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	EMOLS-id_10085722,ZINC22_4518184,ChEMBL-DNDi_CHEMBLF2559-0269,PC-id_7267313,CoCoCo_2580255,MCULE-3665320154	409.912	SKPCGLFHPADGQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119411
c1(CN(c2ccc(cc2)C)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	MCULE-5515064302,EMOLS-id_10084013,CoCoCo_6269347,ZINC22_6300249,PC-id_4247258	409.912	HNXOTFXWYJRGAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119412
c1(CN(c2ccc(cc2)Cl)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	EMOLS-id_10086676,PC-id_7565933,CoCoCo_6271539,ZINC22_5223430,MCULE-6539164227	409.912	IIZIRRJPSGCEAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119413
c1(CN(c2cccc(C)c2)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	CoCoCo_2450263,ZINC22_1409678,ChEMBL-DNDi_CHEMBLF0807-0038,EMOLS-id_4438616,MCULE-4504995726,TOSLab_2898,PC-id_1493583,TOSLab_5387,STOCK2S-38901	409.912	HSWVNRJGGJNIAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119414
c1(CN(c2cccc(C)c2)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	MCULE-9295579157,CoCoCo_6269345,EMOLS-id_10084011,PC-id_23794714,ZINC22_27525420	409.912	XKWZAPPTEMNBTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119415
c1(CN(c2cccc(Cl)c2C)C(=O)Nc2ccccc2)nnc2CCCCCn12	PC-id_24050110,MCULE-6288050673,CoCoCo_6269945,ZINC22_27525613,EMOLS-id_10084396	409.912	ZGLQMORPFBRHOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119416
c1(CN(c2ccc(c(Cl)c2)C)C(=O)Nc2ccccc2)nnc2CCCCCn12	PC-id_7267333,ZINC22_4518211,EMOLS-id_10085946,CoCoCo_2580304,MCULE-8488629529	409.912	SZHSHWIFNJFXGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119417
c1(CN(c2cccc(Cl)c2)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	ZINC22_5223355,PC-id_7565867,EMOLS-id_31192969,MCULE-9024499549	409.912	KLDWCSHEUBSJSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119418
c1(CN(c2cccc(Cl)c2)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	MCULE-9733285504,CoCoCo_6271557,PC-id_7565865,ZINC22_5223353,EMOLS-id_10086884	409.912	UNWDBVYWLLWTRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119419
c1(nnc2CCCCCn12)N(Cc1ccccc1C)C(=O)Nc1ccc(cc1)Cl	MCULE-9559940491,ZINC22_16769807,PC-id_4752647	409.912	MHHPLORWHWWMNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119420
c1(nnc2CCCCCn12)N(Cc1ccccc1C)C(=O)Nc1cccc(Cl)c1	MCULE-2880494336,ZINC22_16769797,PC-id_4752642	409.912	ADZIUSZOSQODPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119421
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)C)C(=O)Nc1cccc(Cl)c1	ZINC22_2684495,MCULE-5024739344,PC-id_4480473	409.912	UJFSSXUZBNFQOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119422
c1(nnc2CCCCCn12)N(Cc1cccc(C)c1)C(=O)Nc1cccc(Cl)c1	ZINC22_2684493,PC-id_4160324,MCULE-4796496450	409.912	NRZVELZVWZYFJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119423
c1(nnc2CCCCCn12)N(Cc1ccc(c(Cl)c1)C)C(=O)Nc1ccccc1	PC-id_4752700,MCULE-6391151517,ZINC22_8550812	409.912	DDIJZODRBALWOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119424
c1(nnc2CCCCCn12)N(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C)c1	ZINC22_16769884,PC-id_4752781,MCULE-5468524501	409.912	OZCXNOGMKJAGEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119425
Cc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1cccc(Cl)c1	ZINC22_28527830,PC-id_16458775,CoCoCo_6601986,MCULE-4786774224	409.912	GOXOOJJUBQUWHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119426
Cc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(Cl)cc1	CoCoCo_6601990,MCULE-3089847852,ZINC22_28527838,PC-id_16458779	409.912	UFACRSUTNDYWNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119427
Cc1ccc(cc1)N(Cc1nnc2CCCCCn12)C(=O)Nc1ccc(Cl)cc1	EMOLS-id_2915705,MCULE-8368029591,PC-id_2310795,CoCoCo_3724064,ZINC22_3171857	409.912	HSQOQBGWTLZBLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119428
Cc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)c1	PC-id_16458660,ZINC22_28527530,MCULE-9367947144,CoCoCo_6600927	409.912	DSBZRIFRTDBFRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119429
Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1Cl	MCULE-8325615919,ZINC22_28527888,PC-id_16458800,CoCoCo_6602099	409.912	LJCUPCWNCWBMAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119430
Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2Cl)cc1	PC-id_16459014,ZINC22_28534898,MCULE-5051857387,CoCoCo_6602681	409.912	TVNOAWNQBFVVFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119431
Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1	MCULE-6471560517,PC-id_16458662,CoCoCo_6600929,ZINC22_28527534	409.912	FDYWSZVQGIFHPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119432
Cc1c(Cl)cccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccccc1	MCULE-9275357977,ZINC22_28527601,CoCoCo_6601025,PC-id_16458697	409.912	KDMGVQZPXGIPOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119433
Clc1ccccc1CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1	MCULE-9419813398,CoCoCo_1387528,PC-id_26348230,ChEMBL-DNDi_CHEMBL45437770,ZINC22_14993058,EMOLS-id_20579397,CoCoCo_1387529	409.912	MDMLMYUKLGRIDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119434
Clc1cccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1	CoCoCo_1345598,MCULE-7095138292,ZINC22_12244331,CoCoCo_1345597,PC-id_42481657,EMOLS-id_20551343	409.912	VUVZBTOPFWLSMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119435
Clc1ccc(N(Cc2n3CCCCCc3nn2)C(=O)Nc2c(cccc2)C)cc1	PC-id_7565929	409.912	IYPLAAQUKYQHLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119436
Clc1ccc(N(Cc2n3CCCCCc3nn2)C(=O)Nc2cc(ccc2)C)cc1	PC-id_7565931	409.912	ZLANHJSFWWZJMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119437
Clc1ccc(NC(=O)N(c2n3CCCCCc3nn2)Cc2ccc(cc2)C)cc1	PC-id_1047929	409.912	KSRFFINOKANAGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119438
Clc1ccc(NC(=O)N(c2n3CCCCCc3nn2)Cc2cc(ccc2)C)cc1	PC-id_1538793	409.912	KWBFHQYIYDVHNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119439
Clc1cc(N(Cc2n3CCCCCc3nn2)C(=O)Nc2c(cccc2)C)ccc1	PC-id_7565861	409.912	VTKZNWXYHDMVIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119440
Clc1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2c(cccc2)C)cccc1	PC-id_7565985	409.912	XGFZDSFJXZJVMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119441
Clc1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2cc(ccc2)C)cccc1	PC-id_7565988	409.912	JPLAAXMQZWJZKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119442
Clc1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2ccc(cc2)C)cccc1	PC-id_7565989	409.912	PWKYDGKVEHZMPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119443
Clc1c(NC(=O)N(Cc2n3CCCCCc3nn2)c2c(cccc2)C)cccc1	PC-id_7566085	409.912	GPFCRORRTWTRIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119444
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1nc(c2ccc(Cl)s2)cs1	PC-id_25617004,ZINC22_12934763,CoCoCo_4758356,MCULE-4644372963,EMOLS-id_24106881	409.914	NJARNKORDSLRBZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-119445
c1(n[n+](CC(=O)c2ccc(Cl)cc2)c2CCCCCn12)CNc1ccc(C)cc1	MCULE-3875452398,ZINC22_27028894,GD-id_ZINC27028894,PC-id_34320292,CoCoCo_6132377	409.932	SEERIBJVOPILJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119446
Cc1c(Cl)cccc1NCc1n[n+](CC(=O)c2ccccc2)c2n1CCCCC2	ZINC22_27526118,GD-id_ZINC27526118,MCULE-7035663951,PC-id_34883362,CoCoCo_6270885	409.932	DEDNNYVSABABDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119447
Clc1ccc(SCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_4021977	409.95	CNEQXSNLJRUVJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119448
Clc1c(SCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1	PC-id_4268570	409.95	ORGFWXSTMXOSOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119449
C[C@@H](C1CC=CC=C1)NC(=O)c1n[nH]c2c1CCCCC2Cc1cccc(c1)Cl	PC-id_71067574,SCHEMBL14089270	409.952	CBCLOWUUCNVPAK-IVMQYODDSA-N	00000000100011110101000000000010000000000000000000000000	31-01-119450
C[C@@H](C1CC=CC=C1)NC(=O)c1n[nH]c2c1CCCC[C@@H]2Cc1cccc(c1)Cl	PC-id_71121642,SCHEMBL14267720	409.952	CBCLOWUUCNVPAK-DDPXNHEPSA-N	00000000100011110101000000000010000000000000000000000000	31-01-119451
Clc1c(CN2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)c(F)ccc1	PC-id_46807493	409.952	WSQLEWJEDVVWEI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119452
c1(NC(=S)Nc2ccc(cn2)Cl)sc2c(CCCCC2)c1C(=O)OCC	PC-id_2211721,CoCoCo_1002411,ZINC22_2858405,Chemmine_19428,MCULE-9889802755,EMOLS-id_2318929,TIMTEC366415	409.953	OUNOACVWGQNPAT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-119453
Clc1ccc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nc1	PC-id_19686312	409.953	XUOQYPBIGZBMJA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-119454
Clc1ncccc1NC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_19686530	409.953	OBXFRKCVDHUORW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-119455
Clc1ncccc1NC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_19686524	409.953	BTEITEBKQFVCKO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-119456
CC1=C(SC2=NC=C[I-]C(=C12)C(C3=CC=CC=C3)O)C=O	PC-id_153628827	409.972	MXEOWZOXSIWSRU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-119457
CC1=C(C2=C(N1)C(=O)C(=CC=C2)Br)CCN3C(=O)C4=CC=CC=C4C3=O	PC-id_154121027	410.027	UDLIAHVZDSZOIQ-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-119458
CC1C=CC(=C2C(=C1)SC(=N2)NC(=O)OC(C)(C)C)OS(=O)C(F)(F)F	PC-id_153565177	410.058	VNUOXKHHFRDQDK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-119459
CC1=C(C=C(C=C1)NC(=O)C2=C3C=CC(NS(=O)(=O)C3=CN2C)C(C#C)O)C#N	PC-id_161740971	410.105	NXXLOSQJSNESRW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-119460
CC(C)N1CC=Cc2c(n(cc2S(=O)(=O)N1)C)C(=O)Nc1cc(c(cc1)F)F	PC-id_164078849	410.122	WVXKJJMLPRTRLB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-119461
CN1C=C2C(=C1C(NC3=CC(=C(C=C3)F)F)O)CC[C@@H](NS2(=N)=O)CC4CC4	PC-id_154991294	410.159	MMVHHIMSNGZWSR-OXDJXFDLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119462
CCOC(=O)CCC1=C(NC2=C1C(=O)CCCC2)/C=C/C4=C(C=CC(=C4)F)NC3=O	PC-id_149436463	410.164	CCNUJIRSHZHGFT-VBKFSLOCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-119463
CNCCC(C1=CC=CS1)OC2=CC=C(C=C2)CN3CCCN4C(=CC=N4)C3=O	PC-id_155072045	410.178	IAMHODRGHGZAQS-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-119464
CC1=C2CN(CCCN2N=C1C(=O)N)C(=C)OCC3=CC(=CCCC3)C(F)(F)F	PC-id_147152834	410.193	BUIBGDCQRFOHKW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-119465
C1Cn2cc(nc2OCCN1CC(=O)Nc1cc(ccc1)Br)[N+](=O)[O-]	SCHEMBL14966125,PC-id_89580420	410.223	UJNVCUUJGUJBOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119466
N#Cc1c(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)sc2c1CCCCC2	SPECS-id_AN-153/I144453,MCULE-1078840035,GD-id_ZINC05631053,PC-id_4536455,ZINC22_5631053	410.246	ABNPVXIEEGVIQQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119467
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)C(C)N4CCCCC4)C2)C	PC-id_161918276	410.268	RTLJNTUPLQXKIJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119468
Brc1cc(sc1)C(=O)c1n2c(C(CCCC2)C(=O)OC(C)C)cc1	PC-id_20484198,SCHEMBL11205834	410.325	QQEQWPUXEAMCND-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-119469
Brc1c(scc1)C(=O)c1n2c(C(CCCC2)C(=O)OC(C)C)cc1	PC-id_20483955,SCHEMBL11197506	410.325	UBIROYLEXJPHBH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-119470
Brc1sc(C(=O)c2n3c(C(CCCC3)C(=O)OC(C)C)cc2)cc1	PC-id_20483790,SCHEMBL11198864	410.325	DTXPKJXABXLYJD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-119471
COc1cc(Br)c(NC(=O)c2cc3c(s2)CCCCC3)cc1OC	PC-id_71937658,EMOLS-id_45641341,ZINC22_65825951,MCULE-4479227439	410.325	IRCMKDVAIYWQBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119472
Clc1cc(Cn2c3C(CCCCc3nc2C(C)C)CC(=O)ON)ccc1Cl	PC-id_67435461,SCHEMBL2514054	410.337	HCJLRYKLSGCKKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119473
Clc1cc(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)ccc1Cl	PC-id_7566077	410.341	PTFZJXLDWJNDJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119474
Clc1cc(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)cc(Cl)c1	PC-id_7565945	410.341	YVONCAFYYXGSCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119475
Clc1c(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)cccc1Cl	PC-id_7566106	410.341	WLBVOSUVIWXVMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119476
Clc1c(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)ccc(Cl)c1	PC-id_7566011	410.341	IXBVXILOANKDMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119477
Clc1c(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)cc(Cl)cc1	PC-id_7565900	410.341	OSOPUHDRWZIXQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119478
Clc1c(N(Cc2n3CCCCCc3nn2)C(=O)NCCCC)c(Cl)ccc1	PC-id_7565996	410.341	JAXZRUHUKFRWSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119479
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1C=CC(NS2(=O)=O)C(F)F	SCHEMBL18352870	410.37	CZHVOCDCQAGWOQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-119480
FC(F)Oc1c(NC(=O)NCCc2n3CCCCCc3nn2)cc([N+](=O)[O-])cc1	PC-id_60487080	410.375	SKKIOBSIGSRORD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119481
CC(=O)c1cc(C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)n[nH]1	EMOLS-id_313784720,ZINC22_1565555535	410.402	JRWNJXCIDMZZEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119482
COc1cnc(C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)nc1	EMOLS-id_313763786,ZINC22_1565555205	410.402	AJOHFKFXJZXOIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119483
Fc1ccc2c(c1)OC2(C)CC(C(F)(F)F)(Cc1cc2c([nH]1)CCCN=C2C)O	PC-id_143024406	410.405	BWKNVLOLLAOPEU-UHFFFAOYSA-N	00001000100000100110001000000010000000000000000000000000	31-01-119484
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CCC(NS2=O)C(F)(F)C	SCHEMBL21337324,PC-id_139471325	410.413	FICCQJIHNFMOLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119485
O=CC1=Cc2c(C=CC1)nc(n2N)SCc1nccc(c1C)OCC(F)(F)F	PC-id_142812205	410.413	RKCRQZXEHZCWQY-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-119486
FC(F)Oc1cc(CCNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1OC	PC-id_56330391	410.415	DCXQMOFNYBTQPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119487
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1F)c2)Cc1ccc(cc1)F	EMOLS-id_32846240,MCULE-7889776327,PC-id_50797882	410.417	SFBARGCKBZMDAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119488
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)F)c2)Cc1ccc(cc1)F	PC-id_16011326,EMOLS-id_32788452,MCULE-6139347797,CHEMBL1406605	410.417	OOYVXPREZHBEAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119489
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)F)c2)Cc1cccc(F)c1	MCULE-7744115744,EMOLS-id_32632980,PC-id_53034536	410.417	VPVWWOPCTGOLER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119490
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(F)c1)c2)Cc1ccc(cc1)F	PC-id_50797965,MCULE-4776816429,EMOLS-id_32846262	410.417	ZDXKSCHBTVNCNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119491
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(F)c1)c2)Cc1cccc(F)c1	PC-id_53034549,EMOLS-id_32633062,MCULE-2763374797	410.417	QTGYDDKLGISQGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119492
Fc1cc(CN2CCCn3nc(cc3C2=O)C(=O)NCc2c(F)cccc2)ccc1	PC-id_53034544	410.417	XACILYHELBUVMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119493
o1c(=O)c(C(c2c3-c(oc2=O)ccccc3)c2ccc(OC)cc2)c2-c1ccccc2	PC-id_10549506	410.418	GBKCCBNXLBBQFD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-119494
O=C=C1c2n(ccc2C(=C=O)CCN1C(=O)c1ccc(cc1)C=O)Cc1ccccc1	PC-id_141227301	410.421	WZBMGAKNJLMSMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119495
C1CN(CCC1C(=O)N1CCn2cc(nc2OCC1)[N+](=O)[O-])c1ccc(cc1)C#N	PC-id_89580389,SCHEMBL14966084	410.426	JMHDMLQSPGVVGG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119496
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)Cc2nc(C)no2)CCC3)cc1	ZINC22_1565556398,EMOLS-id_313763017	410.426	SNARYIZQXGAIGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119497
c1(C(=O)N2CCn3c(CC2)nc(C(=O)N2CCC[C@H]2CO)c3)nn2c(nccc2)n1	ZINC22_1875249329,MCULE-6394851395,EMOLS-id_331088702	410.43	UGXBZQKZCPFUQK-ZDUSSCGKSA-N	00000010100000100101000001000010000000000000000000000000	31-01-119498
O=c1n2CCCCCc2nn1CC(=O)NCC(=O)Nc1ccc(n2ncnc2)cc1	PC-id_56443746	410.43	KJLNBYIBBLLNGW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119499
FC(F)(F)c1cc(C(CNC(=O)Cn2nc3n(CCCCC3)c2=O)(C)C)ccc1	PC-id_56425606	410.433	QCTZEMHLWCDFAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119500
FC(F)(F)c1cc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)CCC)ccc1	PC-id_56401741	410.433	MLTWMLJJYFRZQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119501
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N1CCN(CC1)Cc1occc1	PC-id_19527752	410.433	YCYDYYRPIKKSIZ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-119502
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OC(F)F)cc1	PC-id_9301206	410.435	OQUHVQHLMGMXBE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119503
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OC(F)F)c(OC)cc1	PC-id_52624488	410.435	SRJUBNZRWZJTGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119504
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)c(OC(F)F)cc1)C(=O)N	PC-id_55334192	410.435	AHOCIVZSMWVUJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119505
CC(C)[C@@H](Nc1ccc(C(F)(F)F)cn1)C(=O)NCc1nnc2n1CCCCC2	CoCoCo_506733,PC-id_92626775,ZINC22_19716092	410.437	JSEAMASVEIZWRA-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-119506
CC(C)[C@H](Nc1ccc(C(F)(F)F)cn1)C(=O)NCc1nnc2n1CCCCC2	PC-id_92626776,ZINC22_19716093,CoCoCo_506734	410.437	JSEAMASVEIZWRA-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-119507
CC(C)C(Nc1ccc(cn1)C(F)(F)F)C(=O)NCc1nnc2CCCCCn12	EMOLS-id_30450019,MCULE-1112068154,PC-id_46977452,SYN-22955114	410.437	JSEAMASVEIZWRA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-119508
CCNC(=NCc1ccccc1OC(F)(F)F)NCc1nnc2n1CCCCC2	PC-id_111847419	410.437	YNYMZFTUMYSUJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119509
CN=C(NCc1ccccc1OC(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111848199	410.437	BAVCXGLUGKFWCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119510
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1)OCC(F)(F)F	PC-id_111871287	410.437	ASBOANRWMFIDLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119511
CCOC(=O)CCc1c([nH]c2c1C(=O)CCCC2)C=C1c2c(ccc(c2)F)NC1=O	PC-id_91189144	410.438	CCNUJIRSHZHGFT-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-119512
Fc1ccc(cc1F)S(=O)(=O)N1CCCn2cnc(CN3CCCC3=O)c2C1	PC-id_97519477,EMOLS-id_44370334,ZINC22_96259393	410.438	LSEWCYQLXRDBJN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119513
Fc1cc(F)cc(c1)S(=O)(=O)N1CCCn2c(C1)c(nc2)CN1CCCC1=O	PC-id_97413593	410.438	CTDGTGVPPYBVLL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119514
Fc1ccc(Oc2ccc(CNC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)cc1	PC-id_36402854	410.441	UVFBXVJUGMBZLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119515
Fc1cc(OCc2cc(NC(=O)Cn3nc4n(CCCCC4)c3=O)ccc2)ccc1	PC-id_55653943	410.441	ZJAPDQSHYQXIOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119516
OCC1CC(O)CC(O1)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)P)OC	PC-id_144227074	410.443	XCKRZUKWYISYEZ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119517
COc1cc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)ccc1F	MCULE-2742469722,ZINC22_20997249,PC-id_29257086,EMOLS-id_20554195	410.445	ZXUYTFLWBDJZGL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119518
O1c2cc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)c4occc4)C)CC3)ccc2OC1	PC-id_42328757	410.446	STJFWMUEKGFAJP-CQSZACIVSA-O	00000010101000100101000000001010000000000000000000000000	31-01-119519
O1c2cc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)c4occc4)C)CC3)ccc2OC1	PC-id_42328764	410.446	STJFWMUEKGFAJP-AWEZNQCLSA-O	00000010101000100101000000001010000000000000000000000000	31-01-119520
O1c2cc(C[NH+]3CCn4c(nnc4C(NC(=O)c4occc4)C)CC3)ccc2OC1	PC-id_74843644	410.446	STJFWMUEKGFAJP-UHFFFAOYSA-O	00000010101000100101000000001010000000000000000000000000	31-01-119521
c1(c2CCCCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1C)C	SPECS-id_AG-667/13796034,PC-id_1047319,ChEMBL-DNDi_CHEMBL6079334,CK1929367,TIMTEC36385,EMOLS-id_2124096,ZINC22_722364,CoCoCo_1731228,MCULE-6159838688	410.453	BYXXEJXNSMFKLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119522
CCc1ccccc1NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(F)(F)F	PC-id_137658181	410.453	IZRVPZUJHAHUIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119523
CCc1ccc(cc1)NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(F)(F)F	SCHEMBL4145647,PC-id_11675922	410.453	AQRXOEJKSDQLOU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119524
CC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)c(C(F)(F)F)c1	ZINC22_71822506,EMOLS-id_49327806,PC-id_60362781,MCULE-6731775658	410.453	LRUPRVFMLDKWCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119525
CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2c(s1)CCCCC2	ZINC22_8303346,MCULE-1869484898,PC-id_9426747,EMOLS-id_18867118,CoCoCo_3212123,ChEMBL-DNDi_CHEMBL1893652	410.453	ASTNOPFYMASIJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119526
CC[C@@H](C(=O)NCc1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)C(F)(F)F)C	GD-id_ZINC11872136	410.456	SBGOIIVFQZICMJ-AWEZNQCLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-119527
FC(F)(F)c1cc(C[NH+]2CCn3c(nnc3CCNC(=O)C(C)C)CC2)ccc1	PC-id_42424518	410.456	BANGLAZECPPDEI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-119528
O1C([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OC	PC-id_10364226	410.46	HXFAPXKMKACNGJ-MLYSRARTSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119529
O1C([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)cc(OC)c1	PC-id_10341500	410.46	DSCATNDEFKJTFY-MLYSRARTSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119530
O1C([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)c(OC)cc1	PC-id_10070132	410.46	QTUDKOOQDHLHDV-MLYSRARTSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119531
O1C(C(O)C(O)C(O)C1CO)(c1cc(Cc2cc3-c(c2)ccccc3)ccc1O)C	PC-id_59029778,SCHEMBL14339159	410.46	KUYINQFUGPLJNR-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119532
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OC	PC-id_72423666	410.46	HXFAPXKMKACNGJ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119533
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)cc(OC)c1	PC-id_72423679	410.46	DSCATNDEFKJTFY-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119534
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)c(OC)cc1	PC-id_72423714	410.46	QTUDKOOQDHLHDV-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119535
O1C(C(O)C(O)C(O)C1CO)c1c(ccc(c1)Cc1cc2-c(c1)ccccc2)CO	PC-id_72423625	410.46	MERJKTHLMJTSTQ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119536
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OC	SCHEMBL14590101,PC-id_58786180,BindingDB_PC-id_58786180	410.46	HXFAPXKMKACNGJ-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119537
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)cc(OC)c1	SCHEMBL14590121,PC-id_58786193	410.46	DSCATNDEFKJTFY-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119538
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)c(OC)cc1	SCHEMBL14590104,BindingDB_PC-id_58786231,PC-id_58786231	410.46	QTUDKOOQDHLHDV-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119539
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(ccc(c1)Cc1cc2-c(c1)ccccc2)CO	SCHEMBL14590144,PC-id_58786132	410.46	MERJKTHLMJTSTQ-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119540
Oc1cc2-c(c1)ccc(cc2)C#Cc1ccc(cc1)C#Cc1ccc2-c(cc(O)c2)cc1	PC-id_21063092	410.463	SSFYCYSVEPNXBK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-119541
c1(NC(=O)c2ccn(COc3ccccc3F)n2)sc2c(CCCCC2)c1C#N	EMOLS-id_4090082,TIMTEC460958,CoCoCo_6586564,ZINC22_2798091,MCULE-6690786253,PC-id_4862791	410.465	SVYXNDQZLSWROV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119542
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)/C=C/c2cccs2)c1	EMOLS-id_313763274,ZINC22_1565556381	410.465	FWDDBVHPBYKGKU-BQYQJAHWSA-N	00000000100100110101000000000010000000000000000000000000	31-01-119543
Fc1ccc(C(=O)NCCc2n3CC[NH+](CCc3nn2)C/C=C/c2occc2)cc1	PC-id_42481297	410.465	CZTDTWPVUWNPHQ-HNQUOIGGSA-O	00000000101000110101000000000010000000000000000000000000	31-01-119544
Fc1ccc(C(=O)NCCc2n3CC[NH+](CCc3nn2)CC=Cc2occc2)cc1	PC-id_74807162	410.465	CZTDTWPVUWNPHQ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-119545
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2c(OC)cccc2)ccc1	PC-id_42163449	410.465	VZNHRBQXOIEANO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-119546
c1(C(=O)NC2CCN(CC2)C(=O)c2ccc3c(OCO3)c2)c2CCCCCc2[nH]n1	EMOLS-id_323254201,MCULE-5113183167	410.466	PHDYQVNAGPTVKE-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-119547
Cc1ccc(CNC(=O)C2CCc3nn(CCOc4ccccc4)c(=O)n3CC2)o1	EMOLS-id_207876629,MCULE-7010940120	410.466	KSESLBRRPBPPBZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119548
Cc1c(c(no1)C)CN1CCc2c(CC1)oc(n2)C(=O)NCCOc1ccccc1	PC-id_134805204	410.466	HQCUNGMVUJPSJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119549
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(COCc2occc2)ccc1	PC-id_55658541	410.466	VUJLMXPWLKPXRI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119550
c1(C(=O)Nc2n[nH]c(CCc3ccc(c(OC)c3)OC)n2)c2CCCCCc2[nH]n1	ZINC22_170625118,PC-id_91639679,EMOLS-id_50229607,STOCK7S-49281,EMOLS-id_54879504,MCULE-2233860147	410.47	KRVWJDAUJHBPJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119551
Cc1noc(C)c1Cn1nc2CCC(CCn2c1=O)C(=O)NCCc1ccncc1	EMOLS-id_207876746,MCULE-8582965290	410.47	JNGNUIAXZKELLC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-119552
Cc1noc(C)c1CNC(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	EMOLS-id_207877304,MCULE-8731770034	410.47	FCEGKZBQVGFJNX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-119553
CCn1nc2CCC(CCn2c1=O)C(=O)NCc1cn[nH]c1c1cccc(OC)c1	MCULE-5057488043,EMOLS-id_207876848	410.47	YITLWOQIDLJMEO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119554
CN(Cc1cccnc1)C(=O)C1CCc2nn(Cc3c(C)noc3C)c(=O)n2CC1	MCULE-8961480163,EMOLS-id_207876758	410.47	OLIFAFANKMLUDD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-119555
CN(C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)CC(=O)Nc1ccc(cc1)OC	PC-id_135573725	410.47	YMUIEWGJAGTEJC-ZCXUNETKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119556
CN(C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)CC(=O)Nc1cc(ccc1)OC	PC-id_135830563	410.47	QTCUFLVOXKMRTB-ZCXUNETKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119557
COc1ccc(cc1)C(c1nccn1C)NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_42951662,MCULE-1134325884,EMOLS-id_27400594	410.47	GTEUKZYAVLYDEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119558
COc1ccc([C@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)c2nccn2C)cc1	PC-id_37741817,CoCoCo_4758964,ZINC22_30616879	410.47	GTEUKZYAVLYDEI-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-119559
COc1ccc([C@@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)c2nccn2C)cc1	ZINC22_30616877,CoCoCo_4758963,PC-id_37741815	410.47	GTEUKZYAVLYDEI-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119560
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cccc(C)n2)CC3)o1	CoCoCo_1439813,PC-id_28249531,MCULE-3305765846,ZINC22_19636327,CoCoCo_1439812,EMOLS-id_20614477	410.47	HDCPSQCSSVQTIN-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-119561
COCc1ccc(o1)CN1CCc2n(CC1)c(nn2)C(NC(=O)c1cccnc1)C	ChEMBL-DNDi_CHEMBL37528903	410.47	XONLTSFHGNZKOW-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-119562
n12CCC(CCc1nn(CCOc1ccccc1)c2=O)C(=O)NCCn1cccn1	MCULE-1134758649,EMOLS-id_207876698	410.47	JNLHWRWXLQMARU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119563
n12CCC(CCc1nn(CCOc1ccccc1)c2=O)C(=O)NCCn1ccnc1	MCULE-6294602294,EMOLS-id_207876695	410.47	NBNUGEZPGCVJIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119564
O=c1n2CCCCCc2nn1CC(=O)Nc1c(c2onc(n2)C(C)C)cccc1C	PC-id_56568330	410.47	YWRFINUAXRTBSP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119565
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(c2nc(on2)C(C)(C)C)cc1	PC-id_56168482	410.47	NRXNGKKEYDOTJU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119566
O=C(C(=C1N2CCCCCC2=NN1)C#N)CN(CC(=O)Nc1ccc(OC)cc1)C	PC-id_84843685	410.47	BBOYABUSZMWFID-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-119567
O=C(/C(=C
/N2CCCCCC2=NN1)/C#N)CN(CC(=O)Nc1ccc(OC)cc1)C	PC-id_8817495	410.47	BBOYABUSZMWFID-HEHNFIMWSA-N	00000011000000110111000000000010000000000000000000000000	31-01-119568
O=C(C(=C1N2CCCCCC2=NN1)C#N)CN(CC(=O)Nc1cc(OC)ccc1)C	PC-id_78723055	410.47	OMHXBGISOIFSST-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-119569
O=C(/C(=C
/N2CCCCCC2=NN1)/C#N)CN(CC(=O)Nc1cc(OC)ccc1)C	PC-id_8556342	410.47	OMHXBGISOIFSST-HEHNFIMWSA-N	00000011000000110111000000000010000000000000000000000000	31-01-119570
O=C(NCc1n2CCCCCc2nn1)C1N(N=C(C1)C(=O)OCC)c1ccccc1	PC-id_56521883	410.47	ILOAGGOQOOSRNC-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-119571
O=c1n2CCCCCc2nn1CC(=O)Nc1n(nc(C(C)(C)C)c1)c1ncccn1	PC-id_56570497	410.473	KITKACFSJTUBOH-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-119572
O=c1[nH]c2c([nH]1)ccc(c2)NC(=O)N1CCN(CC1)Cc1nnc2n1CCCCC2	GD-id_ZINC47647200	410.473	MGWOAPVSPHOXCY-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-119573
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)c1[nH+]cc(cc1)C(F)(F)F	PC-id_8096931	410.476	NZZATFUDQXJJDM-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-119574
Fc1c(cc(C2OC(C(O)C(C2O)C)CO)cc1)C(c1cc2-c(c1)ccccc2)C	PC-id_77444960	410.478	QXZABUJZFSXYCN-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119575
Fc1c(cc([C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)C)CO)cc1)C(c1cc2-c(c1)ccccc2)C	SCHEMBL12439555,PC-id_68264504	410.478	QXZABUJZFSXYCN-GKUDYFBCSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119576
FC(F)(F)c1ccc(c2nc(CSc3nnc4n3CCCCC4)cs2)cc1	PC-id_30386695,EMOLS-id_30651763,MCULE-1364512084,ZINC22_22517920	410.48	FAWXPAYTCYHTOW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119577
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1ccc(F)cc1)C(=O)N	PC-id_43980664	410.483	VTFLNPXUKWAYGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119578
CCCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(o2)C)c1ccc(c(c1)C)F	PC-id_89608198,SCHEMBL15002292	410.484	VMDXWPUFURWOLN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119579
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCCC1=CCCCC1	PC-id_50797928,EMOLS-id_32846212	410.484	DGPDAWNUZAKARF-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-119580
Fc1ccc(C(=O)N2CCN(CC2)CCCN2CC=Cc3n(ccc3C2=O)C)cc1	PC-id_59096114	410.484	HSEJRXSKKMBEKI-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-119581
Fc1cc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC2=CCCCC2)ccc1	PC-id_53007964	410.484	WXTQOCCQPKIJMV-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-119582
CCOC(=O)C(=NNc1sc2c(c1C(=O)OCC)CCCCC2)C(=O)OCC	PC-id_145964382	410.485	ODKDZHUTVRJCFW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119583
c1(c2CCCCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccc(cc1)OC	PC-id_1350869,ZINC22_1188838,BAS-00486734,ChEMBL-DNDi_CHEMBL5586794,MCULE-7880222993,CoCoCo_81729,EMOLS-id_1230929	410.486	WWGLLKXCSVSTKT-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-119584
c1(c2CCCCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccccc1OC	ZINC22_1188673,PC-id_1350734,CoCoCo_666050,EMOLS-id_2086114,MCULE-6043968935	410.486	GRCVPJLVRGARRU-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-119585
c1(C(=O)OCC)c2CCCCCc2sc1NC=C1C(=O)OC(=N1)c1ccccc1	PC-id_6807197,MCULE-2193792322	410.486	WFXOXOSQEGTUSF-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-119586
c1(NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_2125915,ChEMBL-DNDi_CHEMBL6100756,PC-id_1221919,ZINC22_997467,SPECS-id_AK-968/12164568,CoCoCo_739479,MCULE-9298654315,TIMTEC472311	410.486	UCMROOFRVCNVAC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119587
c1(scc(c2ccccc2)c1C(=O)OCC)NC(=O)c1c2CCCCCc2on1	PC-id_17253366,ZINC22_4881300,MCULE-7570443778,TIMTEC301790,EMOLS-id_15972076	410.486	MAKOIFRDCDNGEJ-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-119588
CCOC(=O)c1c2CCCCCc2sc1N/C=C
/N=C(OC1=O)c1ccccc1	STOCK3S-79991,EMOLS-id_26317889,CoCoCo_6876916,ZINC22_13125580,PC-id_5435555,SPECS-id_AE-848/13008270	410.486	WFXOXOSQEGTUSF-DTQAZKPQSA-N	00000011100000110101100000000010000000000000000000000000	31-01-119589
CCOC(=O)c1c(N/C=C/2N=C(OC2=O)c2ccccc2)sc2c1CCCCC2	CoCoCo_6876917,PC-id_5567761	410.486	WFXOXOSQEGTUSF-SSZFMOIBSA-N	00000011100000110101100000000010000000000000000000000000	31-01-119590
CCOC(=O)c1c(sc2c1CCCCC2)/N=C/c1c(oc(n1)c1ccccc1)O	PC-id_135437596	410.486	JCKPRMCADPQBBI-YDZHTSKRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119591
COc1cccc(c1)/C=CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_2940941	410.486	BIBYNZTTWCEZSP-KHPPLWFESA-N	00000000100000110100000000000010000000000000000000000000	31-01-119592
COc1ccc(cc1)/C=CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_3044656	410.486	DETHCJRLCIQBRL-XFXZXTDPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119593
COc1cccc(c1)C=CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_43728438,MCULE-5972532771,PC-id_4803754	410.486	BIBYNZTTWCEZSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119594
COc1ccc(cc1)C=CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_4801257,EMOLS-id_43765378,MCULE-3075155896	410.486	DETHCJRLCIQBRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119595
COc1ccccc1/C=C/C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_6790477,CoCoCo_2943385,PC-id_6213189	410.486	HNGNBJYKIJFJLR-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119596
COc1cccc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1	CoCoCo_2940940,ZINC22_6928898,PC-id_6213404	410.486	BIBYNZTTWCEZSP-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119597
COc1ccc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	PC-id_6213254,ZINC22_6839236,CoCoCo_3044655	410.486	DETHCJRLCIQBRL-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119598
N#Cc1c(NC(=O)COC(=O)/C=Cc2ccccc2OC)sc2c1CCCCC2	CoCoCo_2943386	410.486	HNGNBJYKIJFJLR-QXMHVHEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119599
N#Cc1c(NC(=O)COC(=O)C=Cc2ccccc2OC)sc2c1CCCCC2	MCULE-1466060789,EMOLS-id_43728758,PC-id_4800206	410.486	HNGNBJYKIJFJLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119600
s1c2CCCCCc2cc1C(=O)NNC(=O)c1occc1COc1ccccc1	PC-id_43039911	410.486	OYVJIDIHRXDNOG-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-119601
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1onc(c2ccc(cc2)C)c1	PC-id_7519419	410.486	IWEOIOMDCHSDLJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119602
s1c2c(CCCCC2)c(c1NC(=O)Cc1nc(oc1)c1ccccc1)C(=O)OC	PC-id_52638594	410.486	PIOKRFIBWNTKGK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119603
s1c2CCCCCc2c(c1NC(=O)CCC(=O)OCC(=O)c1ccccc1)C#N	PC-id_19059646	410.486	LGGCOFRSYSFVFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119604
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc2CCOc2cc1)C)C#N	PC-id_55601693	410.486	RVILVOPAUFLBNS-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-119605
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(OCC=C)cc1)C#N	PC-id_55570284	410.486	MBWHRTDEIXJETN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119606
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCC(=O)c1ccccc1)C#N	PC-id_24380426	410.486	CORHRXYDDYPKLJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119607
COc1ccc(cc1OC)S(=O)(=O)N1CCc2nn(CC(C)C)c(=O)n2CC1	MCULE-5356406363,EMOLS-id_55716834	410.488	ZFBKBJUWLVHMRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119608
Fc1ccc(n2ncc(c2C(C)C)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55596110	410.488	IGTLRBDRXZSHMR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119609
c1(C(=O)OCC)sc(nc1c1ccccc1)NC(=O)c1c2CCCCCc2[nH]n1	EMOLS-id_323252659,MCULE-4367112380	410.489	DIQBSYZSTIVQAN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119610
c1(C(=O)OC)nc(sc1Cc1ccccc1)NC(=O)c1c2CCCCCc2[nH]n1	EMOLS-id_323250877,MCULE-7098611028	410.489	ISSITQZFFPYLLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119611
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(cc3)OC)n2)/sc2c(CCCCC2)[nH]1	PC-id_52901847,ZINC22_61721161,STOCK7S-15769,EMOLS-id_35789574,EMOLS-id_46560872,MCULE-8127838546	410.489	KSEBCAWJVLGROV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119612
c
(=N/C(=O)Cn2c(=O)ccc(c3cccc(OC)c3)n2)/sc2c(CCCCC2)[nH]1	EMOLS-id_35787189,PC-id_52900387,EMOLS-id_46561383,STOCK7S-14335,ZINC22_61719938,MCULE-2363194239	410.489	OKJKVLVMMQIAIR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119613
COc1ccc(n2ccc(C(=O)Nc3sc4c(c3C(=O)N)CCCCC4)n2)cc1	ZINC22_83952408,MCULE-3558938131,PC-id_71886327,EMOLS-id_44548044	410.489	GHESCAKFOXFDAY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119614
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cc(C)cs2)CCC3)cc1	ZINC22_1565556634,EMOLS-id_313782928	410.489	YKBAYRSEUYDIBT-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-119615
N#Cc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCCCC2	PC-id_4034425,MCULE-6018864555,CoCoCo_3268389,ZINC22_5657707,EMOLS-id_3074293	410.489	DLPMFBGBOVYAHU-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-119616
O(c1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)c3occc3)CC2)cc1)CC	PC-id_42274377	410.489	NGHAKIOBWCEXFQ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-119617
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)cc1)C)C	PC-id_42340880	410.489	IMOONJVQZIJGRL-MRXNPFEDSA-O	00000000101000110101000000000010000000000000000000000000	31-01-119618
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)cc1)C)C	PC-id_42340881	410.489	IMOONJVQZIJGRL-INIZCTEOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-119619
O(c1c(cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cc1)C)C	PC-id_74844216	410.489	IMOONJVQZIJGRL-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-119620
O=C(Nc1nc2c(s1)CCCCC2)NCc1ccc(cc1)NC(=O)c1ccco1	PC-id_112825122	410.489	VBYAAMUKBDZGNV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119621
s1c2CCCCCc2cc1C(=O)NNC(=O)c1nn(c2ccccc2)cc1OC	PC-id_24517377	410.489	CWQCTMJKYVXDGF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119622
s1c2CCCCCc2cc1C(=O)NNC(=O)c1nn(c2ccc(OC)cc2)cc1	PC-id_60572282	410.489	QGIATLROAUFDOZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119623
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1oc(nn1)c1ccccc1	PC-id_24488098	410.489	OYPFAECMCKUEBI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119624
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1onc(n1)c1ccccc1	PC-id_9163641	410.489	SADHSPVPSLOYSX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119625
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(Cn2ncnc2)cc1)C(=O)OC	PC-id_52638630	410.489	QSIPFVVUKYFQRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119626
s1c2c(CCCCC2)c(c1NC(=O)c1c(n(nc1)c1ncccc1)C)C(=O)OC	PC-id_55762983	410.489	YILBOCLHCKUHHO-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-119627
s1c2c(CCCCC2)c(c1NC(=O)c1nnn(Cc2ccccc2)c1)C(=O)OC	PC-id_55763139	410.489	KIXNAUJJMDFQCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119628
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(NC2CC2)nc1)C#N	PC-id_56009173	410.489	URSRXUAFRMWULR-UHFFFAOYSA-N	00100000100000101100000000000010000000000000000000000000	31-01-119629
s1c2CCCCCCc2nc1NC(=O)CNC(=O)c1noc(c2ccccc2)c1	PC-id_56302278	410.489	GQCVENQFAFDFHL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119630
CC1=CN=C(N=C(N(c2c(C(=O)N1C)scc2)C)C)Nc1ccc(cc1)C(=O)N	PC-id_137397030	410.493	LJHIQQDDLBOCCO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-119631
C/C/1=NC(=N/C=C(/N(C(=O)c2c(N1C)ccs2)C)C)Nc1ccc(cc1)C(=O)N	SCHEMBL20628475	410.493	LJHIQQDDLBOCCO-SJXYQCNRSA-N	00000000100000110111000000000010000000000000000000000000	31-01-119632
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cn1nc(nn1)c1ccccc1	PC-id_9274630	410.493	NLQJOEPJPATCFF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119633
s1c(C(=O)NCCc2n3CCCCCc3nn2)c(NC(=O)c2ccncc2)cc1	PC-id_60544283	410.493	FKPAMYAYFKGALZ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-119634
S(c1cc(c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C)c1ncccn1	PC-id_56429765	410.493	QOXDDGHCRICBLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119635
O=C(c1[nH]nc2c1CCCCC2)N1CCCC(CC1)(O)CN1CCC(CC1)(F)F	MCULE-3030322416,BDE-33753780	410.501	RNALBDTUJSZCQW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-119636
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(F)c(F)cc1)C(=O)OCC	PC-id_20409434	410.501	PTHDQZZRDHOQEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119637
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(F)ccc(F)c1)C(=O)OCC	PC-id_20409507	410.501	WDJFOIULHPGAIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119638
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(F)cc(F)cc1)C(=O)OCC	PC-id_20409363	410.501	JNCNQKCDCBYWLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119639
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(F)c(F)cc1)C(=O)OC	PC-id_20409427	410.501	JHQMOXCSAPFNSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119640
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(F)ccc(F)c1)C(=O)OC	PC-id_20409501	410.501	KCMNZACAGHRUGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119641
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(F)cc(F)cc1)C(=O)OC	PC-id_20409357	410.501	LNRYRHFVWSUMFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119642
OCCOC1=C(CC(C=C1)Cc1cc2-c(c1)ccccc2)C1CC(O)CC(O1)CO	PC-id_142858213	410.503	UYKMXVUCLAUAIY-UHFFFAOYSA-N	00000010100011000110100000000010000000000000000000000000	31-01-119644
OC(c1cc2-c(c1)ccccc2)(c1cc2-c(c1)ccccc2)c1cc2-c(c1)ccccc2	PC-id_101223557	410.506	DSYZGRXDXWGOMQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-119645
[O-]C(=O)c1cc(c2-c1ccccc2)CCCCCCNS(=O)(=O)c1ccccc1	GD-id_ZINC13826269	410.506	NMFNUBPGMDEVTK-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-119646
[O-]C(=O)c1cc(c2-c1cc(ccc2)C(C)C)CCCNS(=O)(=O)c1ccccc1	GD-id_ZINC13826290	410.506	KZVCZJLODLJLSR-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-119647
[O-]C(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCS(=O)(=O)Nc1ccccc1	GD-id_ZINC29410768	410.506	QFSPSYBWCGPXGH-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-119648
COc1cc(ccc1OC)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-9722611123,CoCoCo_3538150,EMOLS-id_16659417,PC-id_8500384	410.508	NUKYGIUZEGIZKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119649
COc1ccc(c(c1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2)OC	MCULE-9806878303,PC-id_17512531,CoCoCo_3538149,EMOLS-id_16712735	410.508	BENYRYMWNUNDBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119650
s1c2CCCCCc2cc1C(=O)OC(C(=O)NCCN1C(=O)CSC1=O)C	PC-id_78644181	410.508	TUXPXLUCPRVSHS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-119651
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)NCCN1C(=O)CSC1=O)C	PC-id_8254794	410.508	TUXPXLUCPRVSHS-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-119652
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)NCCN1C(=O)CSC1=O)C	PC-id_8254798	410.508	TUXPXLUCPRVSHS-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-119653
Cc1[nH+]cc(o1)c1ccc(cc1)NC(=O)C(=O)NCc1cc2c(s1)CCCCC2	GD-id_ZINC51809271	410.509	GWPDRESVNXVRRZ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-119654
COc1cccc(c1)C(=O)N1CCC(CC1)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-1968280298,EMOLS-id_222788435,ZINC22_670469526	410.509	GAMFBKZSPTWXOT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119655
COc1ccc(cc1)N1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)ccn2C	SCHEMBL6771925,PC-id_11795848	410.509	PRJHBAYMJKVCNY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119656
COc1ccc(cc1)N1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)n(C)cc2	PC-id_10597694,SCHEMBL6988326	410.509	PDYJTOBXXKGKDT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119657
COc1ccccc1N1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)n(C)cc2	PC-id_11795849,SCHEMBL6990417	410.509	QUJINVHAOMIEOH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119658
COc1cccc(c1)N1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)n(C)cc2	SCHEMBL6989135,PC-id_10501731	410.509	AQRNYBQQEZUWNT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119659
COc1ccccc1N1CCN(CC1)CCCOC1=NCCC(=O)c2c1n(C)cc2	PC-id_20083213,SCHEMBL6994714	410.509	GIQUVFBPDKPXKI-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-119660
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)[C@H]2CC[C@H](C)CC2)CCC3)cc1	ZINC22_1565555937,EMOLS-id_313783952	410.509	JRNDQIWYEQWFQZ-QAQDUYKDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119661
n1c(CNC(=O)c2ccc(cc2)OCC(=O)N2CCCCC2)c2c(CCCCC2)[nH]1	ZINC22_670473508,MCULE-3786471367,EMOLS-id_222793150	410.509	OJBTYEMZDWLWEF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119662
[nH]1nc(C(=O)NN=Cc2ccc(C(=O)OC)cc2)c2CCCCCCCCCCc12	MCULE-5154766205,PC-id_4608143	410.509	DELWILBZUFWLPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119663
Oc1ccc(cc1)N1CCN(CC1)CCCCn1ccc2c1C(=O)N(C)CCC2=O	PC-id_20085256,SCHEMBL6985769	410.509	MAYDODIAEZDZOQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119664
O=C(N/N=C/c1ccc(cc1)C(=O)OC)c1n[nH]c2CCCCCCCCCCc12	PC-id_9678981	410.509	DELWILBZUFWLPH-LFVJCYFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119665
s1c2c(CCCCC2)c(c1NC(=O)C[n+]1c2c(n(c1)C=C)cccc2)C(=O)OC	PC-id_8854845	410.509	HGMJXOYUTPIRMP-UHFFFAOYSA-O	00000000100000100101000001000010000000000000000000000000	31-01-119666
CNS(=O)(=O)c1cn(c(c1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_29980385,MCULE-2664829749,CoCoCo_4383815,PC-id_36943680	410.511	WPUBVHZHETXJFD-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-119667
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)S(=O)(=O)N(C)C)c1	EMOLS-id_313794109,ZINC22_1251064293	410.511	MHBBXLFSDABKSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119668
N1=C(CCC(=O)N1C1CCS(=O)(=O)C1)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-4385226785,EMOLS-id_36515011,STOCK7S-23124,PC-id_46696583	410.511	GITBHYSDZFWQHY-UHFFFAOYSA-N	00000010100011000101100000000010000000000000000000000000	31-01-119669
O=C(Nc1nc2c(s1)CCCCC2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1	ZINC22_21902119	410.511	GITBHYSDZFWQHY-LLVKDONJSA-N	00000010100011000101100000000010000000000000000000000000	31-01-119670
O=C(Nc1nc2c(s1)CCCCC2)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1	ZINC22_21902123	410.511	GITBHYSDZFWQHY-NSHDSACASA-N	00000010100011000101100000000010000000000000000000000000	31-01-119671
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCN(CC1)C)c2)Cc1ccccc1	PC-id_53007944,EMOLS-id_32632802,MCULE-9981332587	410.513	LVSOECGLBZJVFY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119672
COCC(C)n1c(CCCC(=O)N2CCCn3nc(C)cc3C2)nc2cccnc12	PC-id_70763781,MCULE-7960436487,EMOLS-id_43590873	410.513	BDJOWAPWHTUSRX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-119673
COC[C@H](C)n1c(CCCC(=O)N2CCCn3nc(C)cc3C2)nc2cccnc12	ZINC22_77471037,PC-id_96401825	410.513	BDJOWAPWHTUSRX-KRWDZBQOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-119674
COC[C@@H](C)n1c(CCCC(=O)N2CCCn3nc(C)cc3C2)nc2cccnc12	ZINC22_77471038,PC-id_96401826	410.513	BDJOWAPWHTUSRX-QGZVFWFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-119675
O=C(N1CCCCC1)c1cc(NC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_60489620	410.513	GUTFRJJADGEWQC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119676
O=C(N1CCCn2nc(cc2C1)C(=O)Nc1ccccc1)C1NNC(C1)CC(C)C	PC-id_75594448	410.513	BUAGVQZNCOFXCQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119677
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CNC(=O)c1cc(ccc1)C	PC-id_46691949	410.513	JTZWRRGDWYDNMG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119678
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CNC(=O)c1c(cccc1)C	PC-id_46692030	410.513	OENABQSWFCUYGB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119679
O=C(Nc1ccncc1)c1nc2CCN(CCc2s1)C(=O)/C=C/c1cccs1	EMOLS-id_313794362,ZINC22_2055793482	410.513	IZBVQKLNBGKUKM-ONEGZZNKSA-N	00000000100100101101000000000010000000000000000000000000	31-01-119680
s1c2CCCCCc2c(c1NC(=O)CSc1oc(nn1)c1ccccc1)C#N	PC-id_3503466	410.513	TXVCWHVWAULWGB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119681
N#Cc1c(NC(=O)CSc2nnnn2c2ccccc2)sc2c1CCCCC2	PC-id_1633032,CoCoCo_3029347,EMOLS-id_3064358,ZINC22_1895999,MCULE-5417599289	410.516	HLUJTZNLBANRGN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119682
CCn1cc(c2c1C=CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)F)C	PC-id_22738068,SCHEMBL6779864	410.528	JGSUOALTAVAMOI-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-119683
c1(c2CCCCCc2sc1NCc1ccc(C)o1)C(=O)Nc1ccccc1OC	CHEMBL1362200,SCHEMBL10077292,CoCoCo_2720533,SPECS-id_AE-848/42024677,PC-id_1050778,EMOLS-id_8206897,MCULE-2050806132,ZINC22_729099	410.529	NKVJTHZKSFHVOJ-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-119684
c1(c2CCCCCc2sc1NCc1ccc(C)o1)C(=O)Nc1ccc(cc1)OC	PC-id_3653670,EMOLS-id_16406286,MCULE-2757865083,CoCoCo_2720538	410.529	RRJUQBLKDXHYBP-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-119685
CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	MCULE-6086705774,ZINC22_3292357,PC-id_2407940,CoCoCo_3037106,EMOLS-id_3081535	410.529	ILSAZUKPANWNTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119686
s1c2CCCCCc2cc1C(=O)OCC(=O)N(c1cc(cc(c1)C)C)CCC#N	PC-id_7351966	410.529	WMPQEZVLYQATCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119687
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(cc(cc1C)C)C)C)C#N	PC-id_18279430	410.529	NFOKHHCEXVNSFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119688
S(=O)(=O)(c1c2-c(cc(ccc2C)C(C)C)c(c1)C)N/N=Cc1ccc(cc1)OC	CHEMBL1837006	410.529	ZKEMYULHAMNWJO-OYKKKHCWSA-N	00000010100000110110000000000010000000000000000000000000	31-01-119689
S(=O)(=O)(NN=Cc1ccc(OC)cc1)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_56679249	410.529	ZKEMYULHAMNWJO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-119690
S(=O)(=O)(N/N=C/c1ccc(OC)cc1)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_71502470	410.529	ZKEMYULHAMNWJO-ZVHZXABRSA-N	00000010100000110110000000000010000000000000000000000000	31-01-119691
[C@@]12(COC[C@H]1CN(C2)S(=O)(=O)CCC)C(=O)NCc1c2CCCCCc2[nH]n1	ZINC22_1857689785,PC-id_145938562,MCULE-5655448904,EMOLS-id_323981650	410.531	XXJIENSJASBCHA-AUUYWEPGSA-N	00000010100000000101000000000110000000000000000000000000	31-01-119692
c1(NC(=O)CCC(=O)NCCNC(=O)OC(C)(C)C)sc2c(CCCCC2)n1	EMOLS-id_335060268,MCULE-2198878982	410.531	JIIQLACMQCOCBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119693
c1(NC(=O)CCC(=O)NCCc2c3ccccc3[nH]c2)sc2c(CCCCC2)n1	EMOLS-id_335069226,MCULE-4051098445	410.532	OUIBAPDZIMPZGS-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-119694
Cc1ccc(NC(=O)CN(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC22_13071392,CoCoCo_3573252,EMOLS-id_48932728,CoCoCo_3573253,PC-id_25700814,MCULE-9007946750	410.532	CFAUPOOINQUJLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119695
CNCC[C@@H](c1cccs1)Oc1ccc(cc1)CN1CCCn2c(C1=O)ccn2	PC-id_142567067	410.532	IAMHODRGHGZAQS-FQEVSTJZSA-N	00000000100100110101000000000010000000000000000000000000	31-01-119696
COc1ccc(cc1)n1c(C)cc(c1C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3081657,CoCoCo_3081658	410.532	BFTZYSKOFJMGAD-XSFVSMFZSA-N	00000000110000110101100000000010000000000000000000000000	31-01-119697
COc1ccc(cc1)n1c(C)cc(c1C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3081659,CoCoCo_3081656	410.532	BFTZYSKOFJMGAD-ZHZULCJRSA-N	00000000110000110101100000000010000000000000000000000000	31-01-119698
COc1ccc(n2c(C)cc(C(=O)CSc3nnc4n3CCCCC4)c2C)cc1	PC-id_7876889,MCULE-8788499387,EMOLS-id_11772711,CoCoCo_3081655,ZINC22_6097442	410.532	UQAGMSZCKNSUQU-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-119699
N#Cc1c(NC(=O)CN2CCN(c3ccccc3O)CC2)sc2c1CCCCC2	EMOLS-id_3434209,CoCoCo_3569306,ZINC22_34864622,MCULE-1824086302,CoCoCo_3569307,PC-id_2697712	410.532	KIYKKRKHYWSFKA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119700
O=C(NCCc1n2CC[NH+](CC3CCC=CC3)CCc2nn1)c1ccc(OC)cc1	PC-id_74799368	410.532	PWZZZIKUNFQNIZ-UHFFFAOYSA-O	00000000100011110101000000000010000000000000000000000000	31-01-119701
O=C(NCCc1n2CC[NH+](C[C@@H]3CCC=CC3)CCc2nn1)c1ccc(OC)cc1	PC-id_42363233	410.532	PWZZZIKUNFQNIZ-SFHVURJKSA-O	00000000100011110101000000000010000000000000000000000000	31-01-119702
O=C(NCCc1n2CC[NH+](C[C@H]3CCC=CC3)CCc2nn1)c1ccc(OC)cc1	PC-id_42363236	410.532	PWZZZIKUNFQNIZ-GOSISDBHSA-O	00000000100011110101000000000010000000000000000000000000	31-01-119703
O/N=C/1CCN(C(=O)c2c1ccn2CCCC[NH+]1CCN(CC1)c1ccccc1)C	GLL_PC-id_44212567	410.532	UHOCTGKNKGMRDX-DARPEHSRSA-O	00000000100010110101100000000010000000000000000000000000	31-01-119704
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(O)cc1)C#N	PC-id_29325774	410.532	BNJXNPPOUYLZLT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119705
s1c2CCCCCc2c(c1NC(=O)C(Nc1ccc(NC(=O)CC)cc1)C)C#N	PC-id_55913969	410.532	AROPHKGKBWELQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119706
s1c2CCCCCCc2nc1NC(=O)CCC(=O)N1N=C(CC1)c1ccccc1	PC-id_56021852	410.532	YZEQNRAUYRTAOE-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-119707
s1c2CCCCCCc2nc1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	PC-id_56506368	410.532	YYPMKJFGFSRHQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119708
s1c(C(=O)NCCc2n3CCCCCc3nn2)cc(c1C)c1ccc(OC)cc1	PC-id_78844139	410.532	MCTKBTLSZXMYCZ-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-119709
s1c(C(=O)NCCc2n3CCCCCc3nn2)c(OCC)cc1c1ccccc1	PC-id_52337884	410.532	CERMHXDASRXSQE-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-119710
S=C1NC(CC(=O)N1)CC(=O)NN=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_78692974	410.532	MWDCMEAFJDZBBZ-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-119711
Cc1ccc(n2nc(C)c(NC(=O)CSc3nnc4n3CCCCC4)c2C)cc1	EMOLS-id_11773137,ZINC22_6096952,MCULE-8861106964,CoCoCo_3081334,PC-id_7876581	410.536	LNMGTJUARYQOED-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119712
CC(C(c1nnc2n1CCN(CC2)Cc1cscc1)NC(=O)c1ccccn1)C	ChEMBL-DNDi_CHEMBL91430763	410.536	JUKZEFGQMVJXRG-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-119713
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(c2ncccn2)CC1	PC-id_9439553,ZINC22_52635960,CoCoCo_4225157,CoCoCo_4225158	410.536	HPWSGUUBSQNJQV-HNNXBMFYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-119714
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(c2ncccn2)CC1	PC-id_9439556,ZINC22_52635961,CoCoCo_4225160,CoCoCo_4225159	410.536	HPWSGUUBSQNJQV-OAHLLOKOSA-N	00000000100010100101100000000010000000000000000000000000	31-01-119715
N#Cc1c(NC(=O)CCN2CCN(c3ncccn3)CC2)sc2c1CCCCC2	CoCoCo_3570675,MCULE-1009682720,EMOLS-id_48932375,ZINC22_58171230,CoCoCo_3570674,PC-id_16324547	410.536	BJUULRISLPSGRI-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-119716
N#Cc1c(NC(=O)C(N2CCN(CC2)c2ncccn2)C)sc2c1CCCCC2	EMOLS-id_3682713,PC-id_16328564,MCULE-7253747560	410.536	HPWSGUUBSQNJQV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-119717
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ncccn1)C#N	PC-id_22199051	410.536	RHQZUOFEQHWKGH-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-119718
Fc1ccc(cc1)c1nn(c(c1)C(C)C)CC(=C)N1CCc2c(CC1)nc(s2)C	PC-id_122605725,SCHEMBL18133053	410.551	LETYLRWIJUNHLR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119719
O=c1c(cc2n(c(nc2cc1C)CCCCC)Cc1ccc(cc1)c1ccccc1)C	PC-id_67942552	410.551	IHZBWESNSKTNNJ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-119720
CN=C(NCCCc1nnc2n1CCCCC2)NCCCc1ccc(cc1)C(C)C	PC-id_111549528	410.599	XSYKMSRPBXAKGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119837
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](CC(=O)N(CC)CC)C)C(=O)OC	PC-id_8692404	410.551	UXDFMZHTGJNISE-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-119721
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)(C)C)C)C(=O)OC	PC-id_8766884	410.551	VYOKFAXQMDKRHR-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-119722
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)C)CC)C(=O)OC	PC-id_8907461	410.551	YTPPLOMVYNHAMN-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-119723
c1(c2CCCCCc2sc1N=Cc1cccs1)C(=O)Nc1ccc(cc1)OC	MCULE-3102836385,PC-id_4416712	410.552	BWIVJQAUPVOWQC-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-119724
c1(c2CCCCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccccc1C	MCULE-7409106839,SCHEMBL4150336,PC-id_1202861,CoCoCo_81775,BAS-00486845,ZINC22_970534,EMOLS-id_1231019	410.552	LHKZWSMZTCHOEY-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-119725
c1(c2CCCCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)C	ZINC22_972541,EMOLS-id_1231015,PC-id_1204120,MCULE-7819839836,BAS-00486842,CoCoCo_81773	410.552	MKSQOYWBZZUIGU-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-119726
c1(c2CCCCCc2sc1NC(=O)c1cccs1)C(=O)Nc1cccc(C)c1	MS2_ST010013,CoCoCo_81781,MCULE-6123240185,BAS-00486855,ZINC22_659407,SPECS-id_AG-690/12883488,EMOLS-id_1231031,PC-id_1002874	410.552	QYIKAVQWAZAVIC-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-119727
c1(CN(C)CC2(CCCN(C(=O)c3ccc(cc3)C)C2)O)c2CCCCCc2[nH]n1	EMOLS-id_330441750,MCULE-7002531885	410.552	PCTNEUSTYJWEDZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119728
Cc1ccc(C(=O)N2CCC[C@](O)(CN(C)Cc3n[nH]c4c3CCCCC4)C2)cc1	ZINC22_1857722131	410.552	PCTNEUSTYJWEDZ-DEOSSOPVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119729
Cc1ccc(C(=O)N2CCC[C@@](O)(CN(C)Cc3n[nH]c4c3CCCCC4)C2)cc1	ZINC22_1857722132	410.552	PCTNEUSTYJWEDZ-XMMPIXPASA-N	00000000100010110101000000000010000000000000000000000000	31-01-119730
CCn1cc(c2c1CCCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)O)C	PC-id_22737917,SCHEMBL6780129	410.552	RWWWESDRVQKBDV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119731
CCn1cc(c2c1C(O)CCN(C2=O)CCCN1CCN(CC1)c1ccccc1)C	PC-id_22737948,SCHEMBL6773921	410.552	ZMIVCNLLXWHXJW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119732
CCOC1CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccccc1	PC-id_22737976,SCHEMBL6780181	410.552	DXYGTRFBLAOFMP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119733
COc1ccccc1N1CCN(CC1)CCCN1CCCc2c(C1=O)c(C)cn2C	SCHEMBL6769609,PC-id_22738097	410.552	GXOBBJOACOIEPX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119734
COc1ccccc1N1CCN(CC1)CCCN1CCCc2c(C1=O)ccn2CC	SCHEMBL6774980,PC-id_22738053	410.552	PZUBDBLOJXLUPR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119735
COc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2cccs2)cc1	CoCoCo_6250475,EMOLS-id_46388705,ZINC22_101183270,PC-id_9669693	410.552	BWIVJQAUPVOWQC-OEAKJJBVSA-N	00000000100100110100000000000010000000000000000000000000	31-01-119736
COc1ccc(NC(=O)c2c(/N=Cc3cccs3)sc3c2CCCCC3)cc1	TIMTEC88545,ZINC22_4545792,CoCoCo_6250476	410.552	BWIVJQAUPVOWQC-UCQKPKSFSA-N	00000000100100110100000000000010000000000000000000000000	31-01-119737
COC1CCN(C(=O)c2c1n(CC)cc2)CCCN1CCN(CC1)c1ccccc1	SCHEMBL6779531,PC-id_22737921	410.552	PTQINCPDQXUGPU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119738
O=C(Cc1sccc1C)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139785114	410.552	SDQZBIHVRZGYBE-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-119739
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](Cc1ccc(OC)cc1)CC=C)C#N	PC-id_52689001	410.552	NVVBHXRUTKOOAY-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-119740
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCCC2)c1C#N)C	PC-id_22200240	410.554	NDNXFICHDGIJKV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-119741
S(=O)(=O)(N(CC)CC)c1cc(n(c1)C)C(=O)Nc1sc2CCCCCc2n1	PC-id_16606452	410.554	LUJZRUTXLLXKMP-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-119742
c1(C(C)NC(=O)C(C)C)nnc2CCN(CC=Cc3ccc(cc3)N(C)C)CCn12	MCULE-3048407812,PC-id_75193053	410.556	RAGSRMIGTUCUFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119743
Cc1ccc(C)n1c1nc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cs1	EMOLS-id_44532033,ZINC22_84191495,MCULE-1051353061,PC-id_71894561	410.556	FLHQRWDTWWJHAL-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-119744
CC(C(c1nnc2n1CCN(CC2)CC1CCCCC1)NC(=O)c1ccccn1)C	MCULE-8552187294,EMOLS-id_20552003,PC-id_45205343	410.556	SSOUBQPSZTZQRC-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-119745
CC(C)(C)c1ccc(NC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	MCULE-7075977602,PC-id_45888675,CoCoCo_4886524,ZINC22_40096401,EMOLS-id_29677812	410.556	DRNWHUVRITWDFC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119746
CC(CCC=C(C)C)CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1	PC-id_45206270,MCULE-2789841848,EMOLS-id_20556051	410.556	UDOUZIZIPVYVDW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-119747
CC(=CCC[C@H](C)CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1)C	CoCoCo_1352542,ZINC22_12245617,CoCoCo_1352540	410.556	UDOUZIZIPVYVDW-IBGZPJMESA-N	00000000100000101101000000000010000000000000000000000000	31-01-119748
CC(=CCC[C@@H](C)CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1)C	CoCoCo_1352543,ZINC22_12245618,CoCoCo_1352541	410.556	UDOUZIZIPVYVDW-LJQANCHMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-119749
CCC(C)C(=O)NCc1nnc2CCN(Cc3ccc(cc3)N3CCCC3)CCn12	PC-id_45190340,EMOLS-id_20486113,MCULE-8221558244	410.556	JBPYISADGGLVGN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119750
CC(C)C(=O)NCCc1nnc2CCN(Cc3ccc(cc3)N3CCCC3)CCn12	CoCoCo_1119872,MCULE-2387365537,PC-id_42212887,ZINC22_11841014,EMOLS-id_20391004,CoCoCo_1119873	410.556	ZAYYWGDWVWTKAH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119751
CC(C)C(=O)NC(C)c1nnc2CCN(C/C=C/c3ccc(cc3)N(C)C)CCn12	EMOLS-id_232747138,PC-id_45931122	410.556	RAGSRMIGTUCUFJ-VOTSOKGWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119752
CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(C/C=C/c1ccc(N(C)C)cc1)CC2	ZINC22_14994916	410.556	RAGSRMIGTUCUFJ-DKFQHHCZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119753
CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(C/C=C/c1ccc(N(C)C)cc1)CC2	ZINC22_14994918	410.556	RAGSRMIGTUCUFJ-IPLHWJFFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119754
CC([C@H](c1nnc2n1CCN(CC2)CC1CCCCC1)NC(=O)c1ccccn1)C	CoCoCo_1346557,CoCoCo_1346556	410.556	SSOUBQPSZTZQRC-OAQYLSRUSA-N	00000000100010101101000000000010000000000000000000000000	31-01-119755
CC([C@@H](c1nnc2n1CCN(CC2)CC1CCCCC1)NC(=O)c1ccccn1)C	CoCoCo_1346558,CoCoCo_1346559	410.556	SSOUBQPSZTZQRC-NRFANRHFSA-N	00000000100010101101000000000010000000000000000000000000	31-01-119756
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(N3CCCC3)cc1)CC2	CoCoCo_1251429,CoCoCo_1251431,ZINC22_11787279	410.556	JBPYISADGGLVGN-GOSISDBHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119757
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(N3CCCC3)cc1)CC2	ZINC22_11787281,CoCoCo_1251430,CoCoCo_1251428	410.556	JBPYISADGGLVGN-SFHVURJKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119758
C=CCOc1ccccc1CN=C(NCC)NCCCc1nnc2n1CCCCC2	PC-id_111556121	410.556	XZASPVGYVLXZFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119759
C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4173577,ZINC22_7093808,PC-id_40667479	410.556	OKBVRKCSMOJHNL-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-119760
C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_7093814,CoCoCo_4173578,PC-id_40667480	410.556	OKBVRKCSMOJHNL-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-119761
CCNC(=NCc1ccc(cc1OCC1CC1)C)NCc1nnc2n1CCCCC2	PC-id_109586193	410.556	NEBWCUWITSGDMC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119762
CCNC(=NCc1ccccc1OCC1CC1)NCCc1nnc2n1CCCCC2	PC-id_111577036	410.556	OLVKVNIOIOYSNG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119763
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(C1)COCc1ccccc1	PC-id_111525890	410.556	GZIWRJMODJWZFX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119764
CCNC(=NCc1nnc2n1CCCCC2)N1CCOC(C1)c1ccc(cc1C)C	PC-id_109522263	410.556	LYUOTBZVYLTIPT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119765
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(C1)c1ccc(cc1)OC	PC-id_111731983	410.556	ISWQSWYKNNYCOE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119766
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(CC1)Oc1ccccc1	PC-id_109427573	410.556	QOJMGQIDPMXUPU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119767
CCNC(=NCCc1nnc2n1CCCCC2)N1CCOC(C1)c1ccccc1C	PC-id_109481292	410.556	YUNRYFSPHGZOOL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119768
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccc2c(c1)CCO2	PC-id_111563150	410.556	BSVVQVQZHUPCEH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-119769
CN1CCC(CC1)C(=O)NC(c1nnc2n1CCN(CC2)Cc1ccccc1C)C	ChEMBL-DNDi_CHEMBL17094653,PC-id_45165900	410.556	YMQKPHINDXCWIF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119770
CN=C(N1CCC(C1)COCc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111527519	410.556	DCMADEJERBPMPZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119771
CN=C(N1CCC(CC1)Oc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_109426278	410.556	NGLUADVGXUNWIP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119772
CN=C(N1CCOC(C1)c1ccccc1C)NCCCc1nnc2n1CCCCC2	PC-id_109480474	410.556	NBAQNUDDNHXWEK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119773
CN=C(NCc1ccc(cc1OCC1CC1)C)NCCc1nnc2n1CCCCC2	PC-id_109585917	410.556	YVEXDEKNASJVIB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119774
CN=C(NCc1ccccc1OCC1CC1)NCCCc1nnc2n1CCCCC2	PC-id_111577603	410.556	DUTVYWLCWUQHOA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119775
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1OC1CCCC1)C	PC-id_109608686	410.556	DFNGHXFQAYNOKT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119776
CN=C(NCc1nnc2n1CCCCC2)NCC1CCCOC1c1ccc(cc1)C	PC-id_111619670	410.556	XGDPLXDUZSFKKL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119777
COc1ccc(cc1)C1CCN(C1)C(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111731931	410.556	XQKCFGDYHHOFTC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119778
N#Cc1c(NC(=O)C(Sc2nc3c(n2C)cccc3)C)sc2c1CCCCC2	PC-id_16343460,MCULE-4813637966,EMOLS-id_11786945	410.556	OKBVRKCSMOJHNL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-119779
O=C(NCCc1n2CCCCCc2nn1)c1ccc(N2CCN(CC2)C(C)C)cc1	PC-id_56298747	410.556	XMGRPOPRVOGPGU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-119780
O=C(N[C@@H](c1n2CCN(CCc2nn1)Cc1c(cccc1)C)C)C1CCN(CC1)C	PC-id_28392776	410.556	YMQKPHINDXCWIF-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119781
O=C(N[C@H](c1n2CCN(CCc2nn1)Cc1c(cccc1)C)C)C1CCN(CC1)C	PC-id_28392779	410.556	YMQKPHINDXCWIF-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119782
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)c1[nH+]cccc1)C#N	PC-id_31370593	410.556	TVDJHRSPYJRFBX-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-119783
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CCN(CC1)c1[nH+]cccc1)C)C#N	PC-id_51643955	410.556	WIXHISICSWPFIY-MRXNPFEDSA-O	00000000100010101101100000000010000000000000000000000000	31-01-119784
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)c1[nH+]cccc1)C)C#N	PC-id_51643956	410.556	WIXHISICSWPFIY-INIZCTEOSA-O	00000000100010101101100000000010000000000000000000000000	31-01-119785
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)c1[nH+]cccc1)C)C#N	PC-id_75746662	410.556	WIXHISICSWPFIY-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-119786
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2c(n1)cccc2)CC)C#N	PC-id_42964570	410.556	BJZUEOJOPCJBRR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-119787
s1c2CCCCCCc2c(c1NC(=O)CSc1[nH]c2c(n1)ccc(c2)C)C#N	PC-id_4622957	410.556	VAYIRNGJGOVCRI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-119788
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)ccc1	PC-id_42420662	410.556	VSNVBXIBXZVYLW-QGZVFWFLSA-O	00000000100100110101000000000010000000000000000000000000	31-01-119789
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)ccc1	PC-id_42420666	410.556	VSNVBXIBXZVYLW-KRWDZBQOSA-O	00000000100100110101000000000010000000000000000000000000	31-01-119790
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)ccc1	PC-id_74801837	410.556	VSNVBXIBXZVYLW-UHFFFAOYSA-O	00000000100100110101000000000010000000000000000000000000	31-01-119791
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(Sc2ccccc2)cccc1	PC-id_7877524	410.556	GROUCEDHOSSLSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119792
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccccn1	PC-id_111219945	410.559	BFYZNRSYZPFVJD-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-119793
CN=C(NC1CCN(CC1)c1ccccn1)NCCCc1nnc2n1CCCCC2	PC-id_112077496	410.559	SIDCVNBPIKXSTN-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-119794
CC/C=C/1N(C)CC(C)(C)/C=C/N(c2c1n(Cc1ccc(cc1)F)c(n2)CCC)C	PC-id_144707517	410.571	IIJWDHHGMUPBRW-UWJOZCLISA-N	00000000100000110111000000000010000000000000000000000000	31-01-119795
CCOC(=O)c1[nH]c2c(c1OCCC/C=CCC[C@@H](C2)NS(=O)C(C)(C)C)C	PC-id_101840574	410.571	CCMMRXFIXZFFHW-UVPLGBKPSA-N	00000000100000000110000000000010000000000000000000000000	31-01-119796
c1(c2CCCCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCC(CC1)C	TIMTEC36353,MCULE-9762689221,ZINC22_4568497,PC-id_4545301,CoCoCo_1731205,SPECS-id_AG-667/13587055,EMOLS-id_8221319	410.572	DMPHRRPQLFOOKK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-119797
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)N1CCCCCC1	ZINC22_2811386,MCULE-7201280407,PC-id_2173663,CoCoCo_1711412,EMOLS-id_2375709	410.572	CPMLSNQOAQJXIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119798
c1(c2CCCCCc2sc1NC(=O)c1cccc(C)c1)C(=O)N1CCCCCC1	SPECS-id_AG-205/12835143,EMOLS-id_2384624,MCULE-9649782651,ZINC22_2186031,CoCoCo_730542,PC-id_1821613	410.572	KWYFLWXRXTWGJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119799
c1(NC(=O)C(C)Oc2ccccc2)sc2c(CCCCCCCCCC2)c1C#N	EMOLS-id_3743452,MCULE-6841681323,SPECS-id_AE-848/41828281,PC-id_3743604	410.572	BLTGNXYRKADYAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119800
C[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCCCCCCC2	ZINC22_2072914,PC-id_1734447,CoCoCo_6879699	410.572	BLTGNXYRKADYAR-SFHVURJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119801
C[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCCCCCCC2	ZINC22_2072915,PC-id_1734448,CoCoCo_6879700	410.572	BLTGNXYRKADYAR-GOSISDBHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119802
s1c2c(CCCCC2)cc1C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	PC-id_55692500	410.572	LFOVJORYWXFDDY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-119803
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)C(=O)CCCc1ccccc1	PC-id_56263430	410.572	BDIPAHHAGMZTQF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119804
s1c2c(CCCCCC2)cc1C(=O)N1CCC(CC1)C(=O)NCc1ccccc1	PC-id_41305146	410.572	KEWBGMHLHXVEGS-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-119805
s1c2c(CCCCCC2)cc1C(=O)N1CCCN(CC1)C(=O)c1cc(ccc1)C	PC-id_36631263	410.572	ULINTBOCPUWYRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119806
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C(=O)N	PC-id_4347537	410.572	IZBYFKBWXZLKIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119807
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)N	PC-id_6382398	410.572	IZBYFKBWXZLKIS-NTCAYCPXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119808
s1c2c(c(C(=O)N3CCC(CC3)C)c1NC(=O)c1ccc(cc1)C)CCCCC2	PC-id_53297835	410.572	ZCGDUZIPJKYJJW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-119809
s1c2c(c(C(=O)N3CCC(CC3)C)c1NC(=O)c1cc(ccc1)C)CCCCC2	PC-id_53297836	410.572	VQEVQOQFVJIGPM-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-119810
CCCCN(C(=O)c1ccc2n1CCCN(C2)S(=O)(=O)C)C1CCN(CC1)C	EMOLS-id_317417819,MCULE-2922596388	410.574	WPWNDXKDWODWQD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-119811
O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2cccs2)CC1	PC-id_4783336,ZINC22_35684395,MCULE-9955692078,EMOLS-id_45714599	410.574	GNRWCJFVAMHCPD-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-119812
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)CCC(O)C	PC-id_43904244	410.574	UGOSZGRLUXBZLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119813
s1c2CCN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(N)c2cc1	PC-id_85814560	410.574	OCACMXHIQPDUJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119814
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CC[NH+](CC1)Cc1ccccc1)C#N	PC-id_6987640	410.575	QKVSAIRVTZPIGD-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-119815
s1c2CCCCCCCCCCc2nc1NC(=O)Cn1c2c(nc1C)cccc2	PC-id_30376843	410.575	QYEDLPAWLSLCKU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-119816
Cc1cc(C)c(c(c1C[NH+]1CCN(CC1)Cc1nnc2n1CCCCC2)C)C(=O)C	GD-id_ZINC42597016	410.576	DMUVKUFCUUTCMH-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-119817
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)CCSC)CCn12	MCULE-6888229241,PC-id_45223498,EMOLS-id_20629185,ChEMBL-DNDi_CHEMBL58659769	410.577	AZXAXBDQCOKRDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119818
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCS(=O)(=O)C(C1)(C)C	PC-id_109702977	410.577	YHQCNJQCPKDZLG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-119819
CSCCC(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n2CC1	CoCoCo_1462014,ZINC22_14969947	410.577	AZXAXBDQCOKRDO-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119820
CSCCC(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)CN(C)C)n2CC1	ZINC22_14969951,CoCoCo_1462015	410.577	AZXAXBDQCOKRDO-HNNXBMFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119821
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CC(C)OC(C)C1	PC-id_3275852,TIMTEC176550,EMOLS-id_4090584,MCULE-7998857122	410.594	GQRLKAIXPOBPFC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-119822
CCOC(=O)c1c(NC(=S)N2C[C@H](C)O[C@@H](C)C2)sc2c1CCCCCC2	CoCoCo_6799955,ZINC22_5979976,PC-id_40575830	410.594	GQRLKAIXPOBPFC-KBPBESRZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-119823
CCOC(=O)c1c(NC(=S)N2C[C@H](C)O[C@H](C)C2)sc2c1CCCCCC2	ZINC22_17953184,PC-id_27779112,CoCoCo_6799956	410.594	GQRLKAIXPOBPFC-OKILXGFUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-119824
CCOC(=O)c1c(NC(=S)N2C[C@@H](C)O[C@H](C)C2)sc2c1CCCCCC2	ZINC22_5979979,CoCoCo_6799954,PC-id_40575832	410.594	GQRLKAIXPOBPFC-ZIAGYGMSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-119825
s1c2c(CCCCCC2)c(c1NC(=S)NC(C1OCCC1)C)C(=O)OCC	PC-id_19675951	410.594	OCWKPAUTSQGCTD-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-119826
c1(NC(=S)NN2CCN(CC2)C)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_1001970,CoCoCo_1001969,EMOLS-id_2472997,MCULE-5115854855,TIMTEC430992,ZINC22_2858189,PC-id_2211493	410.597	RORGNUOZLHGTAE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-119827
s1c2CCCCCCc2cc1C(=O)NNC(=S)NCCCN1CCOCC1	PC-id_8788577	410.597	SHBWEGNRCRBMIS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-119828
CCc1ccc(cc1)C(CNC(=NC)NCCCc1nnc2n1CCCCC2)(C)C	PC-id_109465040	410.599	CHIFQTWIDSJYTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119829
CCNC(=NCC(c1ccc(cc1)CC)(C)C)NCCc1nnc2n1CCCCC2	PC-id_109464882	410.599	UYUQDZUVVOJFHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119830
CCNC(=NCC(c1ccccc1)(CC)CC)NCCc1nnc2n1CCCCC2	PC-id_111694280	410.599	CBQGDXDJJVLXKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119831
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc(cc1)C(C)(C)C	PC-id_111891959	410.599	LXFPGNSXLDUSGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119832
CCNC(=NCCCc1ccc(cc1)C(C)C)NCCc1nnc2n1CCCCC2	PC-id_111549281	410.599	KXABAHLGADWTLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119833
CN=C(NC(c1ccc(cc1)CC(C)C)C)NCCCc1nnc2n1CCCCC2	PC-id_111298801	410.599	CFQIYJDYVGSOQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119834
CN=C(NCC(c1ccccc1)(CC)CC)NCCCc1nnc2n1CCCCC2	PC-id_111694474	410.599	ZICPYOBVYHHLSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119835
CN=C(NCCc1ccc(cc1)C(C)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111892047	410.599	NCBHELVGKUZQJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119836
S(c1c(c2c(CCCCCC2)[nH]1)C#N)Sc1c(c2c(CCCCCC2)[nH]1)C#N	CT-id_7221635	410.599	UUNSCYKDGBVDLE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119838
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1sc(SC)nn1)C)C#N	PC-id_8888644	410.6	WRIQZUDDOKHLKO-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-119839
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1sc(SC)nn1)C)C#N	PC-id_8888646	410.6	WRIQZUDDOKHLKO-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119840
s1c2CCCCCc2c(c1NC(=O)CSc1sc(SCC)nn1)C#N	PC-id_29936510	410.6	MGEGXJGOOGWGJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119841
s1c2CCCCCc2c(c1NC(=O)C(Sc1sc(SC)nn1)C)C#N	PC-id_84865289	410.6	WRIQZUDDOKHLKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119842
s1c2CCCCCCc2c(c1NC(=O)CSc1snc(SC)n1)C#N	PC-id_5082762	410.6	GZBGVCZRYYIPLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119843
S=C(c1ccc2-c1ccc(cc2)C(C)(C)C)c1ccc2-c1ccc(cc2)C(C)(C)C	PC-id_101845449	410.613	RUPINPWLMUCHEJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-119844
c1(C(=O)NCCCN2CCC(CC2)Cc2ccccc2)csc2CCCCCc12	MCULE-1315711936,PC-id_20881876,EMOLS-id_16062861	410.615	FUGQUMYCRBDYQM-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-119845
[Si](OC1c2nc(n(c2C(=O)C=CC1)Cc1ccccc1)CCC)(C(C)(C)C)(C)C	PC-id_11452614	410.624	VBVPCKMJECOCSB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-119846
CCCCCC1CCN(C(C1)CCC)CCCn1cc(c2=CCCC=C=c12)C(=O)C	PC-id_143503387	410.635	WMSPPKPXKSUTSI-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-119847
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCCCCC)C(=O)OC	PC-id_19651156	410.637	XKGZRRBDRMEQGM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119848
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCCCC)C(=O)OCC	PC-id_19651075	410.637	GCXVSIZEVVPMKZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119849
s1c2c(CCCCC2)c(c1NC(=S)NCC(CCCC)CC)C(=O)OCC	PC-id_19651804	410.637	WLGVKNWDEVLEBN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119850
s1c2c(CCCCC2)c(c1NC(=S)NC(CC(C)(C)C)(C)C)C(=O)OCC	PC-id_19652286	410.637	GLSLDVRCNYTKMA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119851
s1c2c(CCCCC2)c(c1NC(=S)NC(CCCC(C)C)C)C(=O)OCC	PC-id_19652459	410.637	UEWMJGMTDJIVNP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119852
s1c2c(CCCCC2)c(c1NC(=S)N(CCCC)CCCC)C(=O)OCC	PC-id_19653197	410.637	YRVJAUJRPJUFCC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119853
s1c2c(CCCCC2)c(c1NC(=S)N(CC(C)C)CC(C)C)C(=O)OCC	PC-id_19653271	410.637	OJIIQWAFJYGDSW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119854
s1c2c(CCCCC2)c(c1NC(=S)N(C(CC)C)C(CC)C)C(=O)OCC	PC-id_19653527	410.637	UPZVOWGIAWKXNO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119855
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCCCC)C(=O)OC	PC-id_19651068	410.637	DXGQNWBROROREB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119856
s1c2c(CCCCCC2)c(c1NC(=S)NCC(CCCC)CC)C(=O)OC	PC-id_19651797	410.637	JWKLZLQZCMRYOR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119857
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC(C)(C)C)(C)C)C(=O)OC	PC-id_19652279	410.637	PTKQWNLROMIKKH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119858
s1c2c(CCCCCC2)c(c1NC(=S)NC(CCCC(C)C)C)C(=O)OC	PC-id_19652452	410.637	WHEJKMPOMKSTBQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119859
s1c2c(CCCCCC2)c(c1NC(=S)N(CCCC)CCCC)C(=O)OC	PC-id_19653190	410.637	AVVRFOUNNLADQY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119860
s1c2c(CCCCCC2)c(c1NC(=S)N(CC(C)C)CC(C)C)C(=O)OC	PC-id_19653264	410.637	RTTZFZIPVPNTMU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119861
s1c2c(CCCCCC2)c(c1NC(=S)N(C(CC)C)C(CC)C)C(=O)OC	PC-id_19653520	410.637	MBXMNSZUNGUJRG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119862
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCCC)C(=O)OCC	PC-id_19650900	410.637	OSUNKYFVQYPLJG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119863
s1c2c(CCCCCC2)c(c1NC(=S)NC(CCCCC)C)C(=O)OCC	PC-id_19650988	410.637	MGERDZHCVYDMEB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119864
CCCCCCCCCCCCCCCCCCc1ccc2-c1c(OC)cccc2	PC-id_19996720,SCHEMBL9876117	410.675	DFMAMCORBFFLOF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-119865
CC1CCCc2c(CC1)n(C)c(n2)C(=O)Nc1cccc(c1Cl)Br	PC-id_142388793	410.736	FOMLDKYZFYWMIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119866
COC(=O)C(c1ccc(c2-c(c1)c(Cl)c(c2)OS(=O)(=O)C(F)(F)F)C)C	PC-id_102576497	410.793	RQJYNJQIIDNFRL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-119867
O=C(N[C@H]1CCNC(=O)c2[nH]ccc12)c1ccc(=O)n(Cc2ccccc2Cl)c1	ZINC22_2325825889	410.854	GSSSONGHPLWZEP-KRWDZBQOSA-N	00000000100000111100000000000010000000000000000000000000	31-01-119868
O=C(N[C@@H]1CCNC(=O)c2[nH]ccc12)c1ccc(=O)n(Cc2ccccc2Cl)c1	ZINC22_2325825890	410.854	GSSSONGHPLWZEP-QGZVFWFLSA-N	00000000100000111100000000000010000000000000000000000000	31-01-119869
O=C(O)c1cc(CCn2cnc3c2NC=NCC3O)cc(c2cccc(Cl)c2)c1	BindingDB_PC-id_10597716,CHEMBL288184,PC-id_10597716	410.854	JSTUSGOKEJOLIJ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-119870
O=C(O)c1cc(CCn2cnc3c2NC=NCC3O)cc(c2ccc(Cl)cc2)c1	CHEMBL35730,BindingDB_PC-id_10669296,PC-id_10669296	410.854	HYUSLDXPNJPIES-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-119871
c12CN(CCCn1nc(C#N)c2)Cc1ccccc1OCc1c(cccc1F)Cl	ZINC22_826773210,EMOLS-id_232889614,MCULE-2633070011	410.872	POGAUYOXTWAXLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119872
N#Cc1[n-]c2c(c1)C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(c1)Cl	GD-id_ZINC45302321	410.873	GREMFHWXRADPCY-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-119873
Clc1n(nc(c1C=C(c1n2CCCCCc2nn1)C#N)C)Cc1ccc(F)cc1	PC-id_78650349	410.875	YCLRWVRHJDOTRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119874
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)Cc1ccc(F)cc1	PC-id_8275413	410.875	YCLRWVRHJDOTRV-LFIBNONCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119875
Clc1cc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)c2ccccc2)ccc1	PC-id_55804088	410.897	XJNDUDZXXSILPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119876
Clc1cc(COc2cc(C(=O)NCc3n4CCCCCc4nn3)ccc2)ccc1	PC-id_60572610	410.897	ZKDFZSCHVOVSRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119877
Clc1ccc(cc1NCc1ccccn1)C(=O)NCc1nnc2CCCCCn12	PC-id_46975180,MCULE-4421199243,EMOLS-id_30445629,SYN-22860221,ZINC22_19714933,CoCoCo_503018	410.9	IDFPRDQARXLQHQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119878
Clc1ccc(CN2CCn3c(nnc3CCNC(=O)c3cccnc3)CC2)cc1	PC-id_42211802	410.9	LJJMKNWGXVOYIB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119879
Clc1cc(C(=O)N2CCCCc3sccc23)ccc1NC(=O)c1ccccc1	PC-id_57257731	410.916	KOIIBQRIEQKESC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119880
O=C(Nc1ccc(C(=O)N2CCCCc3sccc23)cc1)c1ccccc1Cl	PC-id_11418441,SCHEMBL6988528,CHEMBL441498,BindingDB_PC-id_11418441	410.916	RCIUOILUJSOGMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119881
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccccc1Cl	MCULE-6621013644,EMOLS-id_97042000	410.918	XOLKZZHHOUYYNX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119882
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1cccc(Cl)c1	MCULE-4031139891,EMOLS-id_168571871	410.918	FROUUZLRSDUGJA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-119883
OCC1CC(O)CC(O1)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)(C)C)Cl	PC-id_144227091	410.933	XRQUFKLHBNNEHE-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-119884
Clc1ccc(C=CS(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_78711199	410.938	ITVCNPMLMJBDBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119885
Clc1ccc(/C=C/S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_8500377	410.938	ITVCNPMLMJBDBZ-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119886
Clc1sc(C(=O)CCC(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_31846614	410.938	RBZDWVCEWYKTOJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-119887
CCNC(=NCC(c1ccc(s1)Cl)O)NCCc1nnc2n1CCCCC2	PC-id_111701761	410.965	ZQCSTBOUFAWZFF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-119888
CC/C(=CC=C(Cn1nc(c2c1C(CCCC2)Cc1ccc(cc1)C)C=O)/C)/Cl	PC-id_145479676	410.979	MFVWSNCSBGGALZ-YIYJPIFJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119889
C1CN(CCC2=NN(C(=C21)OS(=O)(=O)C(F)(F)F)CC(F)(F)F)C(=O)O	PC-id_154017140	411.032	UINHICMNWYUTQZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119890
CN1C=C2C(=C1C(=O)NC3=CC(=NC=C3)C(F)F)CC[C@@H](NS2(=N)=O)C(=C)O	PC-id_154991325	411.118	LADGZOKICQUJPI-RKWVHCRBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-119891
CC1=C(C=C(C=C1)CC(=O)C2=C3C=C[C@H](NS(=O)(=O)C3=CN2C)C(C=C)O)C#N	PC-id_161416099	411.125	FQSKDKXAHVWDIO-ZENAZSQFSA-N	00000000100000110111000000000010000000000000000000000000	31-01-119892
CC1=C(C=C(C=C1)CC(=O)C2=C3CC[C@H](NS(=O)(=O)C3=CN2C)[C@@H](C#C)O)C#N	PC-id_161419672	411.125	KTDJWIVGTUXZPT-ZWKOTPCHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119893
CC1=C(C=C(C=C1)CC(=O)C2=C3CC[C@H](NS(=O)(=O)C3=CN2C)[C@H](C#C)O)C#N	PC-id_161419673	411.125	KTDJWIVGTUXZPT-ROUUACIJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119894
CC1=C(C=C(C=C1)CC(=O)C2=C3CC[C@@H](NS(=O)(=O)C3=CN2C)[C@H](C#C)O)C#N	PC-id_161419674	411.125	KTDJWIVGTUXZPT-MSOLQXFVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119895
CC1=C(C=C(C=C1)CC(=O)C2=C3CC[C@@H](NS(=O)(=O)C3=CN2C)[C@@H](C#C)O)C#N	PC-id_161696755	411.125	KTDJWIVGTUXZPT-QZTJIDSGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119896
CC1=C(C=C(C=C1)CC(=O)C2=C3CCC(NS(=O)(=O)C3=CN2C)C(C#C)O)C#N	PC-id_160871953	411.125	KTDJWIVGTUXZPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119897
CC1=NN=C(S1)NC2=CN3CCN(CCC3=N2)C(C)C4=CC5=C(C=C4)SC=N5	PC-id_164762737	411.13	AFQGGBBTIHOWCM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-119898
CC1=NN=C(S1)NC2=NN3CCN(CCC3=C2)C(C)C4=CC5=C(C=C4)SC=N5	PC-id_164762750	411.13	BQRUDDBCVMLVPR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-119899
O=C(Nc1nc2c(s1)CCCCC2)c1nc(Cl)c(Cl)c(Cl)c1Cl	EMOLS-id_14003322,MCULE-1384051983,CoCoCo_4546102,ZINC22_14554250,PC-id_16605134	411.134	XLSXMXHGVOBKSN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-119900
CC1=CC(=CC(=C1)C(F)(F)F)CCOC(=O)N2CCCN3C(=CC(=N3)C(=O)O)C2	PC-id_153166308	411.141	WDIGWYDZRRSNRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119901
CN1C2=C(N(N=C2)C)OC[C@@H](C1=O)CC(=O)C3=NNC4=C3C[C@H](CC4)C(F)(F)F	PC-id_162064290	411.152	ZAGDBCTYXXDQNM-UWVGGRQHSA-N	00000000100010000101000000010010000000000000000000000000	31-01-119902
Cc1c(c(ccc1)F)Cn1cnc(n1)C(=O)N[C@@H]1CCn2cnc(c2N(C1=O)C)C	PC-id_163970177	411.182	SPIDKZQOCQOLSW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119903
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)CCSC	PC-id_155171437	411.219	QMEAYCZEYVMFBQ-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119904
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)C(=O)N4CCNCC4)C2)C	PC-id_162211655	411.227	ZSXOXLYJQUGFNO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119905
Ic1c2CCOCCOCCOCCOCCCn1nn2	PC-id_139187397	411.236	JHVDZDSRTIZISA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119906
Ic1n2nnc1CCCOCCOCCOCCOCC2	CT-id_7119549	411.236	FLKPDDLHDSJHKP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119907
Ic1ccc(C(=O)CN2c3c(scc3)CCCC2=O)cc1	PC-id_63749678	411.257	GWMRXKSLBFIGKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119908
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)NC4CCN(CC4)C)C2)C	PC-id_160218297	411.263	PIVSLPGHRRXFRO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119909
Brc1cc(CCNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1F	PC-id_55897766	411.269	HIHWZDCJSLBWFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119910
Brc1cc(CN(C(=O)Cn2nc3n(CCCCC3)c2=O)C)c(F)cc1	PC-id_55580799	411.269	YRHBRPBDPHQRBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119911
Brc1cc(F)c(OCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_60361086	411.269	ZWNWWCHPVHVAGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119912
CC1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Br)C	PC-id_139462811,SCHEMBL21327947	411.274	RVQSYRUFHCAFPI-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-119913
C[C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Br)C	SCHEMBL18352779	411.274	RVQSYRUFHCAFPI-VIFPVBQESA-N	00000000100000101111000000000010000000000000000000000000	31-01-119914
CN1C=Cc2c(S(=O)(=O)C1)cn(c2C(=O)Nc1ccnc(c1)Br)C	SCHEMBL21327945,PC-id_139462809	411.274	DRXIQNCTKNSGDR-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-119915
CCOC(=O)C1CCN(c2c(C1=O)cc(s2)C)SI	PC-id_137384656,SCHEMBL20614958	411.279	VKASZEOJISRSLZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-119916
CCOC(=O)c1cn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl	SCHEMBL16102966,PC-id_90463095	411.279	AMKGNPSMRZIFDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119917
CCNC(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl	SCHEMBL16100212,PC-id_86345926	411.282	AKXCJDSFRPJRBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119918
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N(C)C)cc(c1)Cl	PC-id_86345927,SCHEMBL16099727	411.282	WZGZSTVMOJJOOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119919
Brc1ccc(cc1)C(=O)c1c(C)c(c2-c1ccc(cc2)C(C)C)C(=O)O	PC-id_139771640	411.288	JLGLOZHTMJIGIX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-119920
Brc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)c(F)cc1	PC-id_55334077	411.289	HGGRXBXUDXZSAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119921
Brc1cc(C(=O)NNC(=O)c2sc3CCCCCc3c2)c(F)cc1	PC-id_9301068	411.289	CHCHUVCYPRQTAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119922
Brc1cc(F)c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_55413821	411.289	KNASJWMCGIHIAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119923
Brc1cc(F)c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_24503529	411.289	JPSOPCUGMFUEMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119924
Brc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc(F)cc1	PC-id_55405853	411.289	UMJXRQMXCOHPCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119925
Brc1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)ccc(F)c1	PC-id_9163635	411.289	SQMVDIZMYQHYAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119926
Brc1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc(F)cc1	GD-id_ZINC21971128,PC-id_24488099	411.289	VSMLEEZXZVYNRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119927
Brc1c(OC)c(C(=O)Nc2sc3CCCCCc3n2)cc(OC)c1	PC-id_24622827	411.313	DFMOTXCNRQZBKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119928
COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)cc(OC)c1Br	CoCoCo_4546236,EMOLS-id_16760392,ZINC22_12783722,PC-id_25508417,MCULE-8839758049	411.313	JSVLABWCJHCTAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119929
c1(NC(=O)c2nn(cc2Br)C)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_4091108,MCULE-5697067988,ZINC22_2778987,CoCoCo_6579483,PC-id_17020638,TIMTEC480976	411.317	UMDYHUMQNVOWEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119930
Clc1cc(Cn2c3C(OCC(=O)O)CCCCc3nc2C(C)C)ccc1Cl	SCHEMBL12199428,PC-id_58460168	411.322	KZPNOYWNWQSDDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119931
Clc1cc(C(CNC(=O)Cn2nc3n(CCCCC3)c2=O)(C)C)ccc1Cl	PC-id_56230286	411.325	LHQXTUDSNZZLIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119932
Clc1cc(CN(C(C)C)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1Cl	PC-id_55891433	411.325	BFKYNBNJSGMXIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119933
Clc1c(OCCCC(=O)NCCc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_60389630	411.325	QTGXJXSGNHKVCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119934
Brc1cc(CN2CCN(CC2)c2c(OC)cccc2)c2-c1ccccc2	PC-id_71497628	411.335	KRBRRKUXFUFYEK-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-119935
CNC(c1cc2c(s1)CCCCC2)Cc1ccc(cc1)I	PC-id_115864275	411.343	ATUXXQYCCHFPCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119936
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(s1)CCCCC2	MCULE-4988577499,EMOLS-id_13527580,CoCoCo_3213337,PC-id_9426697,ZINC22_8303293	411.345	HTDOJGGEMWITGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119937
C1Cn2cc(nc2OCCN1CC(=O)NCc1ccc(cc1)OC(F)F)[N+](=O)[O-]	SCHEMBL14965804,PC-id_89580184	411.36	DYZNZQQIKIMHQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119938
C1Cn2cc(nc2OCCN1CC(=O)NCc1cc(ccc1)OC(F)F)[N+](=O)[O-]	SCHEMBL14965929,PC-id_89580276	411.36	RDMJWFIRCFIIGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119939
O=C(c1cc2c(s1)CCCCC2)Nc1cccc(c1C)B1OC(C(O1)(C)C)(C)C	SCHEMBL11987771,PC-id_57625142	411.365	MRVPAAGVUDKWQM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-119940
Clc1c(SCC(=O)Nc2sc3CCCCCc3c2C#N)cc(Cl)cc1	PC-id_3907388	411.368	ZISUMFDIDVBOBE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119941
FC(F)(F)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(NC(=O)C)cc1	PC-id_56119431	411.378	ZWXPDHIRPBQOPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119942
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1ncn(n1)C[C@@H]1C[C@H](C1)C(F)(F)F	SCHEMBL18366820	411.382	XJQAWXCJWTXFCW-SRVKXCTJSA-N	00001000100000000101000000000010000000000000000000000000	31-01-119943
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1ncn(n1)C[C@@H]1C[C@@H](C1)C(F)(F)F	SCHEMBL18366823	411.382	XJQAWXCJWTXFCW-TUAOUCFPSA-N	00001000100000000101000000000010000000000000000000000000	31-01-119944
Brc1scc(c1)C[NH+]1CCN(CC1)Cc1nnc2n1CCCCC2	GD-id_ZINC47705723	411.383	UIWOVHJOKPTSJX-UHFFFAOYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-119945
O=Cc1cc(ccc1F)c1cccc(n1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_145578245	411.386	YYGCCSCBOIWVSS-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-119946
[se]1c(c2OCC(Cc3ccccc3)(Cc3ccccc3)COc2c1C)C	PC-id_59566404	411.395	HINOMMJAIXKGSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119947
CC(=O)NC[C@@H]1OC(=O)N(C1)c1cc(F)c(c(c1)F)Nc1cc2-c(c1)ccccc2	PC-id_143554998	411.401	SPRQPFACELPECP-SFHVURJKSA-N	00000010100000110111100000000010000000000000000000000000	31-01-119948
CCOC(=O)c1c(NC(=O)C)c(c2-c1ccc(cc2)C(C(=O)N)C#N)C(=O)OCC	PC-id_102461558	411.408	MQQPIINUNIPGAR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-119949
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cc(OC)no2)CCC3)cc1	EMOLS-id_313783696,ZINC22_2055773101	411.411	WHFHSHBSPMXVLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119950
CCCN1C(=O)NC(CC)c2nnc(o2)[C@@H](NC(=O)NC(=O)NC(=O)[C@@H]1C)CO	SCHEMBL18652902	411.413	GCSZEBRVWHPVGU-SMILAEQMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119951
O=c1n2CCCCCc2nn1CC(=O)Nc1n(nc(c1)C)c1ccc([N+](=O)[O-])cc1	PC-id_55579276	411.415	ZFIHFRVOZBYGKG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119952
FC(F)(F)C(=C(c1n2CCCCCc2nn1)C#N)OCC(=O)N1CCCCCC1	EMOLS-id_317286386,PC-id_5207243,MCULE-5096064019	411.421	VUYKCZAVTZJENJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-119953
FC(F)(F)/C(=C(c1n2CCCCCc2nn1)/C#N)/OCC(=O)N1CCCCCC1	PC-id_6301161	411.421	VUYKCZAVTZJENJ-SAPNQHFASA-N	00000000100000000101000000000010000000000000000000000000	31-01-119954
c1(C(=O)NCC2CCCO2)cn2c(CCN(CC2)C(=O)c2cc(F)cc(c2)C#N)n1	MCULE-3164382417,EMOLS-id_331131398	411.429	DVNOHWOCXCEQQQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119955
COc1ccc(cc1F)NC(=O)C1CCn2c(CC1)nn(c2=O)Cc1ccncc1	PC-id_146048478,MCULE-2411681130,EMOLS-id_207877083	411.429	MPDOSCKMVDYOAY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119956
COc1ccc(NC(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)cc1F	MCULE-2311272451,EMOLS-id_239629168	411.429	AXROYMDHSFXAIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119957
Fc1cc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1Oc1cccnc1	PC-id_56075016	411.429	FEHUUMWBTYPMRU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119958
Fc1ccc(Oc2nccc(CNC(=O)Cn3nc4n(CCCCC4)c3=O)c2)cc1	PC-id_56316855	411.429	VWCPGVVVEHBELI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119959
Fc1ccc(Oc2ncc(CNC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)cc1	PC-id_55800648	411.429	HEGRTWSUJLBAOM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119960
Fc1cc(Oc2ncccc2CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55692827	411.429	QTBRGSFUTVQGBW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119961
Fc1cc(Oc2ncc(CNC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)ccc1	PC-id_56301382	411.429	XTVJAZLYGNKOBD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-119962
N#Cc1cc(F)cc(C(=O)N2CCc3nc(C(=O)NC[C@@H]4CCCO4)cn3CC2)c1	ZINC22_1875241519	411.429	DVNOHWOCXCEQQQ-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119963
N#Cc1cc(F)cc(C(=O)N2CCc3nc(C(=O)NC[C@H]4CCCO4)cn3CC2)c1	ZINC22_1875241524	411.429	DVNOHWOCXCEQQQ-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-119964
CCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18366765	411.433	DXXPTVMDPWYXMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119965
CCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18366764	411.433	DXXPTVMDPWYXMW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119966
Fc1ccc(cc1)Cc1nnc([nH]1)C(=O)N[C@H]1CCn2c(N(C1=O)C)c(c(n2)C)C	SCHEMBL18366626	411.433	HDHCERWTPLBRJH-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119967
Fc1ccc(cc1)C(n1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C)C	SCHEMBL18366513	411.433	YRNBHVNELUVUGF-VYIIXAMBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119968
Fc1ccc(cc1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)c(c(n2)C)C	SCHEMBL18366541	411.433	GOBIEASHKIFUIQ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119969
O=C(c1ncn(n1)Cc1ccccc1F)NC1CCn2c(N(C1=O)C)c(nc2C)C	SCHEMBL19641508	411.433	HRXXTVKSEUPXAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119970
O=C(c1ncn(n1)Cc1ccccc1F)N[C@@H]1CCn2c(N(C1=O)C)c(nc2C)C	SCHEMBL18367132	411.433	HRXXTVKSEUPXAH-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119971
c1(NC(=O)c2ccc(Cn3ncc(N(=O)=O)c3)o2)sc2c(CCCCC2)c1C#N	CoCoCo_6580138,TIMTEC176147,EMOLS-id_4091330,ZINC22_2781222,MCULE-3388275821,PC-id_17020836	411.434	GQGHZAHHUCBTEW-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-119972
c1(NC(=O)c2cccc(c2)C(F)(F)F)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_8246012,MCULE-1889385724,CoCoCo_5822759,ZINC22_2750198,SPECS-id_AK-968/14001008,TIMTEC196391,PC-id_5085231	411.438	HNBKTMVOUZPMQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119973
c1(NC(=O)c2cccc(c2)C(F)(F)F)sc2c(CCCCCC2)c1C(=O)OC	CoCoCo_1948584,STOCK3S-13301,SPECS-id_AG-205/12909033,TIMTEC197486,EMOLS-id_4482964,MCULE-2680978541,PC-id_1821672,ZINC22_2186137	411.438	HOHVSUTYABGLIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119974
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(cccc1)C(F)(F)F)C	PC-id_78644134	411.438	XVDKJRANIBECMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119975
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(cccc1)C(F)(F)F)C	PC-id_8254679	411.438	XVDKJRANIBECMY-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119976
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(cccc1)C(F)(F)F)C	PC-id_8254681	411.438	XVDKJRANIBECMY-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119977
c1(NC(=O)CCC(=O)Nc2cccc(c2)C(F)(F)F)sc2c(CCCCC2)n1	EMOLS-id_335077667,MCULE-5235864284	411.441	JVHHFICVNLUKBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119978
c1(NC(=O)CCC(=O)Nc2ccccc2C(F)(F)F)sc2c(CCCCC2)n1	MCULE-7853320538,EMOLS-id_335033141	411.441	KXZFIOLOQRIUKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119979
c1(NC(=O)CCC(=O)Nc2ccc(cc2)C(F)(F)F)sc2c(CCCCC2)n1	MCULE-8231873560,EMOLS-id_335022905	411.441	DZUBSSIMXGJZRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119980
CC(C1C=Cc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)C	SCHEMBL21337295,PC-id_139471296	411.441	AYAPAKCSHPSHIJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-119981
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4ccccc4F)CCn23)c1	PC-id_26346120,EMOLS-id_20574935,CoCoCo_1380720,MCULE-9596055439,CoCoCo_1380719,ZINC22_14991231	411.448	WOHGLWPZVOUTHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119982
Fc1cccc(F)c1CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1	CoCoCo_1241958,MCULE-7268675609,ZINC22_20453532,CoCoCo_1241957,PC-id_28956398,EMOLS-id_20479441	411.448	UHRQJAPHQMDJLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119983
Fc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1	PC-id_28311910,MCULE-7579329479,ZINC22_19743617,EMOLS-id_232707223	411.448	DSTXAWMPDNBBIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119984
Fc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1F	EMOLS-id_20450277,CoCoCo_1200701,ZINC22_14881723,CoCoCo_1200700,MCULE-6214859289,PC-id_26277359	411.448	QTIORIXXJHJIIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119985
NOC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1cc(ccc1O)Cc1cc2-c(c1)ccccc2	PC-id_118190744,SCHEMBL16854965	411.448	ZQIWUCQKPYIKAF-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-119986
O=C(c1n(C)cc2c1OC[C@@H](NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1)C)F	SCHEMBL18352871	411.448	ZKZWWMRPPAPZMQ-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119987
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1)C)F	PC-id_140762628	411.448	ZKZWWMRPPAPZMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119988
c1(C(=O)Nc2onc(c3ccc(c(OCC)c3)OCC)c2)c2CCCCCc2on1	EMOLS-id_16234879,PC-id_17254387,TIMTEC330842,CoCoCo_2401449,ZINC22_7000108,MCULE-9772530350	411.451	NGRIKUCGXMEIRL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-119989
COC(=O)c1c(NS(=O)(=O)c2ccc(cc2)[N+](=O)[O-])sc2CNCCCc12	EMOLS-id_259721088,MCULE-6484975759	411.453	OWLFWZDGMGAEGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119990
COC(=O)c1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc2CNCCCc12	MCULE-4680983916,EMOLS-id_259724372	411.453	GZBMOFAERGSXKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119991
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(O)cc1	PC-id_40029878	411.453	INYJJDPVASTRQL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-119992
c1(cn2c(CCN(CC2)C(=O)c2cccc(OC)c2C)n1)C(=O)N1CCNC(=O)C1	ZINC22_1875243089,EMOLS-id_331091735,MCULE-7668584850	411.454	PIZFBXPMJLIUKO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-119993
COc1cccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c1O	ChEMBL-DNDi_CHEMBL78135655,PC-id_25364917,EMOLS-id_20691195,MCULE-3369680019,CoCoCo_1556998,CoCoCo_1556999,ZINC22_20363456	411.454	VKVUJRGALCEOCJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119994
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c(O)c1	EMOLS-id_20506433,MCULE-9502049832,PC-id_29149538,ZINC22_20774062,CoCoCo_1280637,CoCoCo_1280636,ChEMBL-DNDi_CHEMBL29111941	411.454	PANBZXDTTANUIW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119995
COc1cccc(NC(=O)C2CCc3nn(Cc4c(C)noc4C)c(=O)n3CC2)c1	EMOLS-id_207876725,MCULE-4489637127	411.454	ZEMDGWFWEYNFER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-119996
COc1ccc(O)c(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c1	CoCoCo_1542912,MCULE-9478856400,ChEMBL-DNDi_CHEMBL75030363,CoCoCo_1542911,EMOLS-id_20682057,ZINC22_20255705,PC-id_25295618	411.454	PKLLIOTYXZDTQT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119997
COc1cc(O)ccc1CN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccco1	ChEMBL-DNDi_CHEMBL47819016	411.454	OTCBTWJEWUIHHZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119998
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cccc(O)c2)CC3)o1	MCULE-1440417635,EMOLS-id_20489893,CoCoCo_1256667,PC-id_42342355,ZINC22_11997484,CoCoCo_1256668	411.454	LMOBASOLJLGHAH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-119999
O1CCN(CC1)C(=O)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049593	411.454	RTYQLYPLTJIWSC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120000
o1nc(C(=O)NCCc2n3CCCCCc3nn2)cc1c1c(OC)ccc(OC)c1	PC-id_49018624	411.454	LHVCFPGCQQTNBR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120001
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncc2c(c1)C1(CCCOC1)OC2	SCHEMBL18366947	411.454	NSIKMJJVATVWIV-BJQOMGFOSA-N	00000010100010100101000000000010000000000000000000000000	31-01-120002
O=c1n2CCCCCc2nn1CC(=O)NC(Cc1c2c([nH]c1)cccc2)C(=O)OC	PC-id_74656296	411.454	UPCUDMQEILASJP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-120003
O=c1n2CCCCCc2nn1CC(=O)N[C@H](Cc1c2c([nH]c1)cccc2)C(=O)OC	PC-id_37267426	411.454	UPCUDMQEILASJP-QGZVFWFLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-120004
O=c1n2CCCCCc2nn1CC(=O)NC(C(C)C)c1onc(n1)c1cccnc1	PC-id_56476221	411.458	VCWDFPAGLCOUDS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-120005
O=c1n2CCCCCc2nn1CC(=O)NC(C(C)C)c1onc(n1)c1ccncc1	PC-id_56443592	411.458	ZXRPHNKZANAANU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-120006
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N(Cc1c(n(nc1C)CC)C)C	PC-id_19531185	411.464	YUOKCZXGNCBQKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120007
s1c2CCCCCc2c(c1NC(=O)CSc1ncc(cc1)C(F)(F)F)C#N	PC-id_46813085	411.464	MYFIHBFEJYGFEE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-120008
C=N/C=CN=C1CCN(Cc2n1ccn2)Sc1ccccc1SC(F)(F)F	PC-id_145570527	411.468	VYTUHZZAOWIENZ-IZSUNRQBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120009
Fc1ccc(cc1F)S(=O)(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	ZINC22_96259605,PC-id_97519687,EMOLS-id_44370758	411.469	KXEIWJDMKDETTI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120010
Fc1cc(F)cc(c1)S(=O)(=O)N1CCCn2nnc(CN3CCCCC3)c2C1	PC-id_97519688,ZINC22_96259606,EMOLS-id_44370760	411.469	JMPLGAQBEFNRER-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120011
S(=O)(=O)(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc(F)cc(F)c1	PC-id_46457726	411.469	RARJMIUBBGKMHJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120012
S(=O)(=O)(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc(F)c(F)cc1	PC-id_46514609	411.469	HMLFXXGVYIDXRX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120013
Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1	MCULE-1618677874,CoCoCo_1451787,CoCoCo_1451786,ZINC22_14964381,EMOLS-id_20622457,PC-id_26324528	411.473	GBLMDGDOPDKZFZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-120014
CCc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1	EMOLS-id_32370908,MCULE-3015012786,ZINC22_19742742,CoCoCo_1155254,CoCoCo_1155253,PC-id_28311314	411.473	NNGRDGCQAXTWPN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-120015
Fc1c2oc(C(=O)N3CCN(CC3)Cc3n4CCCCCc4nn3)c(c2ccc1)C	PC-id_46449508	411.473	PTGLHNXVXCQSTE-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-120016
Fc1c(CN2CCn3c(nnc3CC2)C(NC(=O)c2ccoc2)C(C)C)cccc1	PC-id_45166717	411.473	YGFZEVVIKXUSHF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-120017
c1(NC(=O)c2cccc(c2)N2C(=O)CCC2=O)sc2c(CCCCC2)c1C(=O)N	CHEMBL1454149,ZINC22_4176886,MCULE-5198973747,CoCoCo_5014651,ChEMBL-DNDi_CHEMBL1454149,EMOLS-id_4948409,PC-id_4098170	411.474	BIAIQUPQYKQSTB-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-120018
CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	CoCoCo_2906445,ZINC22_2726345,PC-id_2161634,EMOLS-id_3260862,MCULE-4747205354	411.474	YZAFCXIHEXGWSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120019
Cn1c(c2ccc(cc2c1O)C(=O)N=NC(=O)c1cc2c(s1)CCCCCC2)O	PC-id_136170282	411.474	YQDMDKYLQNCQHN-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-120020
CNC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	ZINC22_5055796,EMOLS-id_30135629,MCULE-6787298700,PC-id_7475081	411.474	ANANYQIYFUKQJY-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-120021
COC(=O)c1c(NC(=O)c2ccc(NC(=O)CC#N)cc2)sc2c1CCCCC2	EMOLS-id_323881725,ZINC22_2080317935,PC-id_146160742	411.474	KWIRLENVTXXBGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120022
N#Cc1c(NC(=O)COC(=O)CNC(=O)c2ccccc2)sc2c1CCCCC2	ZINC22_3314661,CoCoCo_3032128,EMOLS-id_3096172,PC-id_2430407,MCULE-5548699879	411.474	SGSMRFIDIMCACK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120023
s1c2CCCCCc2cc1C(=O)NNC(=O)c1oc(Cn2c(=O)cccc2)cc1	PC-id_36583940	411.474	AAYFZFYNPVJAII-UHFFFAOYSA-N	00000000101000101100000000000010000000000000000000000000	31-01-120024
s1c2CCCCCc2cc1C(=O)NNC(=O)CCN1C(=O)c2c(C1=O)cccc2	PC-id_9301101	411.474	ZCZHMZCDBKMDDV-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-120025
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)c1onc(n1)C)C(=O)OC	PC-id_55762728	411.474	MDQWBCPRRGODEI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120026
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C#N)C(=O)NC(=O)OCC	PC-id_7521920	411.474	JOASBADEECCCIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120027
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)N	PC-id_3670934	411.474	YWCONSZOOGSRJC-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-120028
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(NC(=O)C)ccc1)C#N	PC-id_41563048	411.474	WSBZEVOOHAIMTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120029
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc2c(C(=O)N(C2=O)C)cc1	PC-id_55489134	411.474	MVNYEFBRPLGAMC-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-120030
s1c2CCCCCCc2cc1C(=O)NNC(=O)CN1C(=O)c2c(C1=O)cccc2	PC-id_9441659	411.474	NBMSZXDEAWVYBD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-120031
s1c2CCCCCCc2cc1C(=O)OC(C(=O)Nc1cc2=NC(=O)N=c2cc1)C	PC-id_84878995	411.474	UZUSNMBPAQKZEK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-120032
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1oc(nn1)c1ccccc1	PC-id_7618398	411.474	HMUXEGFRRVNEEM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120033
Nc1nc2c([nH]1)CCN(CC2)C(=O)Cn1nc(nc1C(C)C)c1ccc(c(c1)C)F	PC-id_145588893	411.476	MTQPJBZEPQVIET-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120034
C[NH+](C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)CC(=O)Nc1ccc(cc1)OC	PC-id_135573724	411.477	YMUIEWGJAGTEJC-ZCXUNETKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-120035
C[NH+](C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)CC(=O)Nc1cc(ccc1)OC	PC-id_135830562	411.477	QTCUFLVOXKMRTB-ZCXUNETKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-120036
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2csc(C)n2)CCC3)cc1	EMOLS-id_313762761,ZINC22_1565556429	411.477	HXWFSPWTKFUTOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120037
N#CCCCS(=O)(=O)c1ccc(cc1)C(=O)C(c1nnc2n1CCCCC2)C#N	PC-id_86874403	411.477	CXCVOSUMYOUOHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120038
O=C(C[NH+](CC(=O)Nc1ccc(OC)cc1)C)C(=C1N2CCCCCC2=NN1)C#N	PC-id_84843684	411.477	BBOYABUSZMWFID-UHFFFAOYSA-O	00000011000000110111000000000010000000000000000000000000	31-01-120039
O=C(C[NH+](CC(=O)Nc1ccc(OC)cc1)C)/C(=C
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O=C(C[NH+](CC(=O)Nc1cc(OC)ccc1)C)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78723054	411.477	OMHXBGISOIFSST-UHFFFAOYSA-O	00000011000000110111000000000010000000000000000000000000	31-01-120041
O=C(C[NH+](CC(=O)Nc1cc(OC)ccc1)C)/C(=C
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O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)c1n[nH]c2CCCCCc12	MCULE-2546517228,EMOLS-id_335142316	411.477	HOISSJJJKRVLDZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-120043
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1onc(n1)c1cccnc1	PC-id_55624462	411.477	DAXUFSCJUJKZDB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-120044
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1onc(n1)c1ccncc1	PC-id_26044648	411.477	CQLJCOIGGRZIBT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-120045
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(n2nnnc2)cc1)C(=O)OC	PC-id_55762801	411.477	RRFRALBELSPLGZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120046
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc(nn1)c1ccccc1)C(=O)OC	PC-id_7634109	411.477	GNJVHHXYXGSYML-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120047
s1c(C(=O)Nc2ccc(NC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)ccc1	PC-id_56301085	411.477	FOKVWGDDCCBSEJ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120048
Cc1c(cco1)c1nnc(n1C)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135788927	411.481	OHXUUIXPGUNPFT-PFONDFGASA-N	00000000101000000101100000000010000000000000000000000000	31-01-120049
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1n(c(nn1)c1c(occ1)C)C	PC-id_78746164	411.481	GPOOSJAUUDGUOH-UHFFFAOYSA-N	00000011101000000111100000000010000000000000000000000000	31-01-120050
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1n(c(nn1)c1c(occ1)C)C	PC-id_8652848	411.481	GPOOSJAUUDGUOH-JXAWBTAJSA-N	00000011101000000111100000000010000000000000000000000000	31-01-120051
O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1ccc(SC(F)F)cc1	CoCoCo_2861414,PC-id_7352082,ZINC22_4768014,MCULE-2246433219,EMOLS-id_13796412	411.486	MVFMFWXCKIVUQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120052
S=c1n2CCCCCc2nn1CN1CCN(CC1)c1cc(ccc1)C(F)(F)F	PC-id_8204912	411.488	QHKONGADBPVUOX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120053
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(SC(F)F)nccc1	PC-id_24553553	411.489	JMZHJJNDEHMMIA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-120054
COc1ccc(cc1)Cn1c(C)c(c2c1C=C(C)CC(C2)(C(=O)OC)C(=O)OC)C	PC-id_102127952	411.491	KOGFUFRNFGVNDP-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-120055
OC[C@@H]1c2ccsc2CCN([C@@H]1C(=O)OC)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966429	411.492	KQRFQFQTRQARDB-WBVHZDCISA-N	00000000100000110100000000000010000000000000000000000000	31-01-120056
OC[C@@H]1c2ccsc2CCN([C@H]1C(=O)OC)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966454	411.492	KQRFQFQTRQARDB-NVXWUHKLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120057
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCO)C(=O)O)c1ccc(OC)cc1	PC-id_54456088	411.492	WYHCVDITVJEVAB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120058
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CO)C(=O)OC)c1ccc(OC)cc1	PC-id_57200984	411.492	KQRFQFQTRQARDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120059
S(=O)(=O)(N1CC(c2c(scc2)CC1C(=O)OC)CO)c1ccc(OC)cc1	PC-id_76506946	411.492	YIYNMUGITGYRMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120060
S(=O)(=O)(N1C[C@@H](c2c(scc2)C[C@H]1C(=O)OC)CO)c1ccc(OC)cc1	PC-id_57276389	411.492	YIYNMUGITGYRMA-WBMJQRKESA-N	00000000100000110100000000000010000000000000000000000000	31-01-120061
C/C=CC=C/C1=Cc2nc([nH]c2CCN1C(=O)c1ccc(cc1)c1ccccc1O)C	PC-id_141821761	411.496	UWSYCCOUBPYWOL-UBNNFMAXSA-N	00000000100000110111100000000010000000000000000000000000	31-01-120062
CCOC(=O)N(C[C@@H]1OCc2cnnn2CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C	CHEBI:113399,PC-id_44505554	411.496	LAJDOZVBLFDPKV-UXLLHSPISA-N	00000000100000000101000000000010000000000000000000000000	31-01-120063
CCOC(=O)N(C[C@H]1OCc2cnnn2CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C	CHEBI:113515,PC-id_44505551	411.496	LAJDOZVBLFDPKV-BFYDXBDKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120064
CCOC(=O)N(C[C@H]1OCc2cnnn2CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C	PC-id_44505560,CHEBI:96831	411.496	LAJDOZVBLFDPKV-ZMSDIMECSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120065
CCOC(=O)N(C[C@@H]1OCc2nnn(c2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C	CHEBI:113346,PC-id_44505763	411.496	OBJUKURLMFMQOH-VYDXJSESSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120066
CCOC(=O)N(C[C@H]1OCc2nnn(c2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C	CHEBI:96744,PC-id_44505766	411.496	OBJUKURLMFMQOH-HLLBOEOZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120067
CCOC(=O)N(C[C@H]1OCc2nnn(c2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C	CHEBI:96977,PC-id_44505572	411.496	OBJUKURLMFMQOH-BFYDXBDKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120068
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc2CCN(c2cc1)C(=O)C	PC-id_31717629	411.517	FFKBVYSSLVWFPJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-120201
CCOC(=O)N(C[C@@H]1OCc2nnn(c2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C	CHEBI:97020,PC-id_44505764	411.496	OBJUKURLMFMQOH-UXLLHSPISA-N	00000000100000000101000000000010000000000000000000000000	31-01-120069
CCOC(=O)N(C[C@@H]1OCc2nnn(c2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C	PC-id_44505782,CHEBI:96990,SCHEMBL17487107	411.496	OBJUKURLMFMQOH-ZOBUZTSGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120070
COC(=O)c1cc(cnc1NC1=c2ccn(c2=CC=CC1)Cc1ccccc1)C1CC1	SCHEMBL20850933,PC-id_138501224	411.496	STVPHDYGKGHDRU-UHFFFAOYSA-N	00100000100000111110100000000010000000000000000000000000	31-01-120071
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OCC	PC-id_75036255	411.496	OBJUKURLMFMQOH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120072
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCC	PC-id_75036332	411.496	LAJDOZVBLFDPKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120073
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OCC	PC-id_44505196	411.496	OBJUKURLMFMQOH-ZMSDIMECSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120074
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OCC	PC-id_44505200	411.496	OBJUKURLMFMQOH-INMHGKMJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120075
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OCC	PC-id_44505777	411.496	OBJUKURLMFMQOH-YQQAZPJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120076
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCC	PC-id_44505399	411.496	LAJDOZVBLFDPKV-YQQAZPJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120077
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCC	PC-id_44505552,CHEMBL1870586	411.496	LAJDOZVBLFDPKV-HLLBOEOZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120078
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCC	PC-id_44505556	411.496	LAJDOZVBLFDPKV-VYDXJSESSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120079
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCC	PC-id_44505573	411.496	LAJDOZVBLFDPKV-INMHGKMJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120080
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCC	PC-id_44505580	411.496	LAJDOZVBLFDPKV-ZOBUZTSGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120081
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[n+](noc1[O-])C)C(=O)OC	PC-id_53294153	411.496	YCKRNGJWGHLQGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120082
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])C)C)C(=O)OC	PC-id_53292725	411.496	SPMVNDAOKGUGQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120083
s1c2c(CCCCC2)c(c1NC(=O)CSc1[n+](noc1[O-])C)C(=O)OCC	PC-id_53292229	411.496	GSHWJXKFISJCKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120084
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1oc(S(=O)(=O)NC)cc1	PC-id_46429300	411.496	XHCOLMUDYDJWIW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-120085
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[n+](noc1[O-])C)C(=O)OC	PC-id_53292243	411.496	AESHBDIWWYFZEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120086
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCOCC1)c2)Cc1ccccc1	EMOLS-id_32846008,PC-id_50798064,MCULE-8226954289	411.497	KBZJDSIMWVEADO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120087
c12C(=O)N(CCCn1nc(C(=O)N(C)CC(=O)NC(C)C)c2)Cc1ccccc1C	MCULE-8496601790,PC-id_46050048,EMOLS-id_25388634	411.497	RGPTYFWTMUPXLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120088
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCOCC1)c2)Cc1cccc(C)c1	EMOLS-id_32633182,MCULE-6963564232,PC-id_53029196	411.497	ATYLWLCTHVDTJU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120089
CCC(c1nnc2n1CCCCC2)NC(=O)c1cccc(c1)NC(=O)C1CCCO1	PC-id_72147902,MCULE-9136269606,EMOLS-id_42871691	411.497	WJNSBOFUHGTEGH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120090
CC[C@@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nnc2n1CCCCC2	PC-id_95789715,ZINC22_72318842	411.497	WJNSBOFUHGTEGH-MSOLQXFVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120091
CC[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nnc2n1CCCCC2	ZINC22_72318841,PC-id_95789714	411.497	WJNSBOFUHGTEGH-ROUUACIJSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120092
CC[C@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nnc2n1CCCCC2	ZINC22_72318843,PC-id_95789716	411.497	WJNSBOFUHGTEGH-ZWKOTPCHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120093
CC[C@@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nnc2n1CCCCC2	ZINC22_72318844,PC-id_95789717	411.497	WJNSBOFUHGTEGH-QZTJIDSGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120094
CCCNC(=O)CCNC(=O)c1cc2C(=O)N(Cc3ccccc3C)CCCn2n1	MCULE-2147269814,EMOLS-id_25388598,PC-id_46050071	411.497	CTIGAEVWFNWDTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120095
CC(C)NC(=O)CCNC(=O)c1cc2C(=O)N(Cc3ccccc3C)CCCn2n1	PC-id_46050069,MCULE-5428969556,EMOLS-id_35952016	411.497	JTVIRMXJHXUJBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120096
CC(C)NC(=O)CCNC(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	PC-id_46049988,EMOLS-id_25388610,MCULE-8094896589	411.497	SQBMYGQAWLUMBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120097
CC(C)NC(=O)C(C)NC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	PC-id_46049997,EMOLS-id_25388962,MCULE-6009805221	411.497	ZZKGBRLCOINUMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120098
CC(C)NC(=O)CCNC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	PC-id_46050033,MCULE-3345088690,EMOLS-id_25388506	411.497	FUJJGBUWIDLHTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120099
CCCNC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	EMOLS-id_25388230,PC-id_46050015,MCULE-5602172163	411.497	WVMYGTWBOFCOIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120100
CCN(C)C(=O)C(C)NC(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	PC-id_46049673,EMOLS-id_25387296,MCULE-1934129722	411.497	RXHXSGSZHHAJMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120101
CCNC(=O)CCN(CC)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049944,MCULE-8468875542,EMOLS-id_25388182	411.497	CHDQDYXAXCZXBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120102
CCN(C(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C)C	PC-id_93332238	411.497	RXHXSGSZHHAJMW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120103
CCN(C(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C)C	PC-id_93332239	411.497	RXHXSGSZHHAJMW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120104
CC(NC(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1C)C)C	PC-id_93332520	411.497	QSGZDZXKDYQVMT-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120105
CC(NC(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1C)C)C	PC-id_93332521	411.497	QSGZDZXKDYQVMT-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120106
CC(NC(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)C	PC-id_93332628	411.497	ZZKGBRLCOINUMW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120107
CC(NC(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)C	PC-id_93332629	411.497	ZZKGBRLCOINUMW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120108
Cn1ccc2c1C(CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)O)N=O	PC-id_91537820	411.497	PFBJRAGBWZGOAU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120109
Cn1ccc2c1C(=NO)CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)O	PC-id_88040558	411.497	QNTFHKIJJWRLMF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120110
COc1ccccc1/C=C/CN1CCc2n(CC1)c(nn2)CNC(=O)C1COCC1	ChEMBL-DNDi_CHEMBL17063467,PC-id_45929302	411.497	ZKKWZSYCCIYAHO-GQCTYLIASA-N	00000010100000110101000000000010000000000000000000000000	31-01-120111
n12CCN(CCc1nnc2CCNC(=O)C1CCCO1)Cc1ccc2c(CCO2)c1	EMOLS-id_20537537,MCULE-3499773247,PC-id_45202090	411.497	XWWMCWPUAMWGKG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-120112
N#Cc1c(NC(=O)COC(=O)c2ccc3ncsc3c2)sc2c1CCCCC2	PC-id_2107673,CoCoCo_2809612,ZINC22_2644716,MCULE-4364092872,EMOLS-id_3258894	411.497	WMILPYCSDIZTEF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120113
O1CC(CC1)C(=O)NCc1n2CCN(CCc2nn1)CC=Cc1c(OC)cccc1	PC-id_75192900	411.497	ZKKWZSYCCIYAHO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120114
O1C(CC(CC1)C(=O)N1CCn2c(nnc2CNC(=O)c2ccccc2)CC1)(C)C	PC-id_45209440	411.497	LSAXJLOFCQWPEY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120115
O1CCN(CC1)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_50797845	411.497	SVLSDZBKOIEGDN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120116
o1c(C(NC(=O)NCCc2n3CCCCCc3nn2)C)cc2c1c(OCC)ccc2	PC-id_55597247	411.497	JPHMMOGAFQRJIT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120117
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1	PC-id_55886849	411.497	LJWJFHZGLBFASS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120118
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(C(=O)N2CCCCC2)ccc1	PC-id_55693197	411.497	HPZTYAQVDHKRSJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120119
O=C1N(CCCn2nc(cc12)C(=O)NC(C(C)C)C(=O)NCC)Cc1ccccc1	PC-id_46049890	411.497	UQOAYGVDCKDVTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120120
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCCC)Cc1ccc(cc1)C	PC-id_42855093	411.497	HUHKMJMLVQNRKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120121
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCCC)Cc1cc(ccc1)C	PC-id_42855119	411.497	KXNCDYJTOCLMID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120122
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)N(CC)C)Cc1cc(ccc1)C	PC-id_46049763	411.497	XCZHLQHDZCKSKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120123
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)N(CC)C)Cc1c(cccc1)C	PC-id_46049792	411.497	FYPADGYNXUEDDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120124
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)N(CC)C)C)Cc1cc(ccc1)C	PC-id_42854989	411.497	GOZXCPSEZKJTSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120125
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)N(CC)CC)Cc1cc(ccc1)C	PC-id_42854995	411.497	YXSOANWUJLWMQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120126
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)N(CC)C)C)Cc1c(cccc1)C	PC-id_42855020	411.497	HXYBNAOUWKOTMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120127
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)N(CC)CC)Cc1c(cccc1)C	PC-id_42855026	411.497	MKQLWPGLSVVVAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120128
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCC)C)Cc1cc(ccc1)C	PC-id_42855102	411.497	NYKXURFJPHLNJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120129
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCC(C)C)Cc1cc(ccc1)C	PC-id_42855106	411.497	ZGVIETNFWOWVRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120130
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCC)C)Cc1c(cccc1)C	PC-id_42855125	411.497	WXQXSNIEDBABDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120131
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCC(C)C)Cc1c(cccc1)C	PC-id_42855132	411.497	AUPVINFECLAHCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120132
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)N(CC)C)C)Cc1ccc(cc1)C	PC-id_46049683	411.497	HEWWJJQJOWCPPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120133
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NC(C)C)C)Cc1ccc(cc1)C	PC-id_46049967	411.497	XLBLYVLBYLPKLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120134
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NC(CC)C)Cc1cc(ccc1)C	PC-id_46050016	411.497	JKTXGXFWUHNXRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120135
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NC(C)C)C)Cc1c(cccc1)C	PC-id_46050040	411.497	QSGZDZXKDYQVMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120136
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCC)C)Cc1c(cccc1)C	PC-id_46050050	411.497	LDSXWYUXFWICRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120137
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)N(CC)CC)Cc1ccc(cc1)C	PC-id_46159915	411.497	UYSZHJLGJXGJKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120138
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)N(CC)C)C)Cc1cc(ccc1)C	PC-id_46159925	411.497	ZZPHCPIYDKASCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120139
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NC(C)C)C)Cc1ccc(cc1)C	PC-id_46159974	411.497	JUFOIFLBBVBGSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120140
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCC)C)Cc1ccc(cc1)C	PC-id_46159977	411.497	ZJEWTQQUSMKMRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120141
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCC)C)Cc1ccc(cc1)C	PC-id_46159981	411.497	WRXSYYLDHNPIDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120142
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NC(C)C)C)Cc1cc(ccc1)C	PC-id_46159985	411.497	YGRGRPOHXVTGSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120143
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCCC(C)C)Cc1ccccc1	PC-id_42854957	411.497	DEGUVUOLQRLXLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120144
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NC(CC)C)C)Cc1ccccc1	PC-id_42855053	411.497	KPMYSAOGINYOPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120145
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCC(C)C)C)Cc1ccccc1	PC-id_46049851	411.497	YHOCAZMVUFREMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120146
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NC(CC)C)C)Cc1ccccc1	PC-id_46159955	411.497	LJQZOBOLRQUYKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120147
O=C([C@H]1CCOC(C1)(C)C)N1CCn2c(CC1)nnc2CNC(=O)c1ccccc1	CoCoCo_1372698	411.497	LSAXJLOFCQWPEY-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120148
O=C([C@@H]1CCOC(C1)(C)C)N1CCn2c(CC1)nnc2CNC(=O)c1ccccc1	CoCoCo_1372699	411.497	LSAXJLOFCQWPEY-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120149
O=C(CN1CCOCC1)Nc1cccc(NC(=O)c2n[nH]c3c2CCCCCC3)c1	PC-id_110089356,BDD-25323789,MCULE-7642051765,ZINC22_257205746	411.497	BALCOVUOTAPATO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120150
O=C(N1CCCC1)C(NC(=O)Cn1nc2n(CCCCC2)c1=O)Cc1ccccc1	PC-id_56301274	411.497	UMZFXOLTHSDUIG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120151
O=C(N1CCC(NC(=O)c2c(cccc2)C)CC1)Cn1nc2n(CCCCC2)c1=O	PC-id_55688968	411.497	YFXINMXOVVHOQI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120152
O=C(NC1CCCCC1)N(Cc1n2CCCCCc2nn1)c1cc2OCOc2cc1	PC-id_7566154	411.497	KLSPTVSEETUPIB-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-120153
O=C(Nc1cc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1)C1CCCC1	PC-id_55892770	411.497	GGZCQXPKSGTZSO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120154
O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2)[C@H]1CCCO1	CoCoCo_1325563,ZINC22_20912955,CoCoCo_1325565	411.497	XWWMCWPUAMWGKG-LJQANCHMSA-N	00000010100000100101000000001010000000000000000000000000	31-01-120155
O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2)[C@@H]1CCCO1	CoCoCo_1325566,CoCoCo_1325564,ZINC22_20912950	411.497	XWWMCWPUAMWGKG-IBGZPJMESA-N	00000010100000100101000000001010000000000000000000000000	31-01-120156
O/N=C
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CN(C(=O)c1ccc(c(c1)/C=C/C1=c2[nH]c(nc2=NC=CC1)C)N)Cc1ccccc1	PC-id_142263216	411.499	OUNJEEMCMBODJB-ZHACJKMWSA-N	00000000100000110111000000000010000000000000000000000000	31-01-120158
C=CCn1c(=O)c2=CCN=C(N=c2n1C)Nc1ccc(c(c1)CO)NCCN(C)C	PC-id_143570982	411.501	ICXAJULWJUJRJL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-120159
COCC(C)n1c(CCCC(=O)N2CCc3nnc(C)n3CC2)nc2cccnc12	EMOLS-id_43562309,MCULE-6934952364,PC-id_70717586	411.501	IRDLEVFVAQALTM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120160
COC[C@H](C)n1c(CCCC(=O)N2CCc3nnc(C)n3CC2)nc2cccnc12	ZINC22_77322719,PC-id_96368733	411.501	IRDLEVFVAQALTM-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120161
COC[C@@H](C)n1c(CCCC(=O)N2CCc3nnc(C)n3CC2)nc2cccnc12	ZINC22_77322722,PC-id_96368734	411.501	IRDLEVFVAQALTM-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120162
O=C1N(CC/C(=N/O)/c2c1n(CCCCN1CCN(CC1)c1ncccn1)cc2)C	PC-id_20085240,SCHEMBL6994917	411.501	XXGDYFSLPVVDCB-MOHJPFBDSA-N	00000000100010100101100000000010000000000000000000000000	31-01-120163
O=C1N(CCC(N=O)c2c1n(CCCCN1CCN(CC1)c1ncccn1)cc2)C	PC-id_54332395	411.501	SZGDTDUNVZGECR-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-120164
O=C1N(CCC(=NO)c2c1n(CCCCN1CCN(CC1)c1ncccn1)cc2)C	PC-id_73658870	411.501	XXGDYFSLPVVDCB-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-120165
CCN1C2=C(N/C/1=C(c1cc(C)nc(n1)NCCc1cccnc1)/C#N)CC=CC=C2	PC-id_143015951	411.502	MIUMACWQUMDGPV-FCDQGJHFSA-N	00000011000000101111000000000010000000000000000000000000	31-01-120166
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCN1CCCc2c(C1=O)ccn2C	SCHEMBL6772868,PC-id_22738060	411.512	GHTIWVZKKHPSCI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-120167
Fc1ccc(C(=O)C2CCN(CC2)CCCN2Cc3c(n(cc3)C)C(=O)CC2)cc1	PC-id_59987747	411.512	WIFSOUOCIRINLZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-120168
c1(NC(=O)CCCNS(=O)(=O)c2ccc(cc2)F)sc2c(CCCCC2)n1	EMOLS-id_323453257,MCULE-5451377895	411.514	JFSWAXUBZYRCBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120169
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(C)n1Cc1ccco1	ZINC22_5966206,PC-id_4843395,CoCoCo_2861336,EMOLS-id_3395977,MCULE-2765821185	411.514	YXKMQOMVZPCTJD-UHFFFAOYSA-N	00000000111000000100000000000010000000000000000000000000	31-01-120170
CC(C)c1ccc2-c(c(cc2CCCNS(=O)(=O)c2ccccc2)C(=O)O)cc1	CHEMBL76825,PC-id_10409367,SCHEMBL9627348	411.514	UEXOITLJJSPBHI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-120171
CC(C)c1ccc2-c(c(cc2CCCS(=O)(=O)Nc2ccccc2)C(=O)O)cc1	CHEMBL48117,PC-id_44291639,BindingDB_PC-id_44291639	411.514	QFSPSYBWCGPXGH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-120172
CC(C)c1cccc2-c(c(cc2CCCNS(=O)(=O)c2ccccc2)C(=O)O)c1	PC-id_9979002,CHEMBL355696,SCHEMBL9626885	411.514	KZVCZJLODLJLSR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-120173
O=C(O)c1cc(CCCCCCNS(=O)(=O)c2ccccc2)c2-c1ccccc2	CHEMBL167266,PC-id_10476737,SCHEMBL9626970	411.514	NMFNUBPGMDEVTK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-120174
s1c2CCCCCCc2nc1NC(=O)CCNS(=O)(=O)c1ccc(F)cc1	PC-id_56021591	411.514	ANRNKIGUODZHFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120175
s1c2CCCCCCc2nc1NC(=O)[C@@H](NS(=O)(=O)c1c(F)cccc1)C	PC-id_56022241	411.514	YTTLGHTUPLSKKO-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120176
s1c2CCCCCCc2nc1NC(=O)C(NS(=O)(=O)c1c(F)cccc1)C	PC-id_76294589	411.514	YTTLGHTUPLSKKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120177
S(=O)(=O)(NCCc1c2-c(c(c1)C(=O)OC)cc(C(C)C)ccc2)c1ccccc1	PC-id_10024615	411.514	HSZLNYALRPPZJW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-120178
S(=O)(=O)(NCCc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2)c1ccccc1	PC-id_10364317	411.514	KDOINKHXRLXHIU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-120179
S(=O)(=O)(NCCCCCc1c2-c(c(c1)C(=O)OC)ccccc2)c1ccccc1	PC-id_10024614	411.514	IBGNSLYAJVABKR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-120180
Fc1ccc(CC(=O)NCCc2nnc3CCN(CC4CCC=CC4)CCn23)cc1	EMOLS-id_20750193,MCULE-9994804704,PC-id_45253075	411.516	GPDCFPCDFJLQGU-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-120181
O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(C[C@H]1CC=CCC1)CC2	CoCoCo_1648043,CoCoCo_1648045,ZINC22_15072533	411.516	GPDCFPCDFJLQGU-IBGZPJMESA-N	00000000100011110101000000000010000000000000000000000000	31-01-120182
O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(C[C@@H]1CC=CCC1)CC2	ZINC22_15072535,CoCoCo_1648044,CoCoCo_1648042	411.516	GPDCFPCDFJLQGU-LJQANCHMSA-N	00000000100011110101000000000010000000000000000000000000	31-01-120183
C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)CCCCC3)C1=O	CoCoCo_4276635,ZINC22_8312215,PC-id_9437588	411.517	KTEIYMUVVSTCNK-QFIPXVFZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120184
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc3c(s2)CCCCC3)C1=O	ZINC22_8312217,CoCoCo_4276634,PC-id_9437590	411.517	KTEIYMUVVSTCNK-JOCHJYFZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120185
CCC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_334605947,MCULE-5569955862	411.517	UAZTVVMSYYPNHY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-120186
CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1nc2CCCCCc2s1	MCULE-3854162230,EMOLS-id_334604147	411.517	CWPQKEQEHQJJMB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-120187
CC(C)CCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1nc2CCCCCc2s1	MCULE-8779338416,EMOLS-id_323472483	411.517	JMIQWIVDQRRJOB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-120188
CCC(=O)N1CCc2c1ccc(c2)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_44130296,MCULE-7713079928,CoCoCo_4938048,PC-id_45909315	411.517	TWXJKLGSGUVIRH-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-120189
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccc2c(c1)OCO2	CoCoCo_4231112,CoCoCo_4231111,ZINC22_8156473,PC-id_9291768	411.517	XDZWQLVCQZYUIB-CQSZACIVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-120190
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccc2c(c1)OCO2	PC-id_9291766,ZINC22_8156472,CoCoCo_4231109,CoCoCo_4231110	411.517	XDZWQLVCQZYUIB-AWEZNQCLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-120191
N#Cc1c(NC(=O)C(N(Cc2ccc3c(c2)OCO3)C)C)sc2c1CCCCC2	PC-id_16343318,EMOLS-id_3691093,MCULE-9683972861	411.517	XDZWQLVCQZYUIB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-120192
O=C1NC(C(=O)N1NC(=O)c1cc2c(s1)CCCCC2)(C)CCc1ccccc1	PC-id_16325975,MCULE-5979029224,EMOLS-id_11760974	411.517	KTEIYMUVVSTCNK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120193
O=C(N1CCN(CC1)C(=O)c1cc2c(s1)C=CCCCC2C)Oc1cccnc1	PC-id_143986417	411.517	YXDONBFMHWJACJ-UHFFFAOYSA-N	00000000100010101111000000000010000000000000000000000000	31-01-120194
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1ccc(N2CCCC2=O)cc1	PC-id_9163655	411.517	FSAPYNCADYITFQ-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-120195
s1c2c(CCCCC2)c(c1NC(=O)C1CN(C(=O)C1)Cc1ccccc1)C(=O)N	PC-id_75981700	411.517	VVWXQZNLTFTWBY-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-120196
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1cc2OCOc2cc1)C)C#N	PC-id_28228410	411.517	JPPCKLLCPNBWRF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-120197
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1CN(C(=O)C1)Cc1ccccc1)C(=O)N	PC-id_52894699	411.517	VVWXQZNLTFTWBY-OAHLLOKOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-120198
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1CN(C(=O)C1)Cc1ccccc1)C(=O)N	PC-id_52894700	411.517	VVWXQZNLTFTWBY-HNNXBMFYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-120199
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1ccc(N(C)C)cc1)C)C#N	PC-id_55416641	411.517	IAOBISUOWFECDR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120200
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(N2CCCC2=O)cc1	PC-id_9441679	411.517	IUNOKNOJUWTLCQ-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-120202
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1	PC-id_46656846	411.517	ZTSBKWBOQSJZAL-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-120203
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(N2CCCC2=O)ccc1	PC-id_26287340	411.517	KGWDHOJDAAXHHU-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-120204
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)C2CC2)ccc1	PC-id_35431183	411.517	YFCHBIIBUOKIFZ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-120205
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)C=Cc1ccccc1	PC-id_85009905	411.517	QNJXPLMKJLGRFI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120206
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)/C=C/c1ccccc1	PC-id_9441612	411.517	QNJXPLMKJLGRFI-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120207
s1c2CCCCCCc2nc1NC(=O)CCc1oc(c2ccc(OC)cc2)cn1	PC-id_56195429	411.517	JLNHVBDOABGLNI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120208
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(COC)o3)CCn12	MCULE-9528824331,EMOLS-id_20641693,PC-id_45226493	411.519	ATJCRINCRJRSOA-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-120209
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1ccc(c2)F	PC-id_111887801	411.519	OIYUZQJZGDWCOV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-120210
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1cc(F)cc2	PC-id_111972590	411.519	ACRFTGREENRSIM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-120211
CN=C(NCCc1c[nH]c2c1ccc(c2)F)NCCCc1nnc2n1CCCCC2	PC-id_111888149	411.519	RVOZTSNDMAIWBB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-120212
CN=C(NCCc1c[nH]c2c1cc(F)cc2)NCCCc1nnc2n1CCCCC2	PC-id_111972278	411.519	UCYJRNGXENGLBV-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-120213
COCc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)o1	CoCoCo_1481253,CoCoCo_1481252,ZINC22_14980496,PC-id_26335987	411.519	ATJCRINCRJRSOA-QGZVFWFLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-120214
COCc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)o1	PC-id_26335983,CoCoCo_1481254,ZINC22_14980493,CoCoCo_1481255	411.519	ATJCRINCRJRSOA-KRWDZBQOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-120215
S1(=O)(=O)CC(N2CCCCC2)C(NC(=O)Cn2nc3n(CCCCC3)c2=O)C1	PC-id_56478771	411.519	ZZJPVVQATMDPPA-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-120216
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3cccs3)CCn12	MCULE-6119375676,EMOLS-id_20452747,PC-id_45182601	411.52	WJLSKKDGAXLSJG-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120217
c1(NC(=O)CCC(=O)NCCc2[nH]c3c(cccc3)n2)sc2c(CCCCC2)n1	MCULE-1138855427,EMOLS-id_335042365	411.52	UPAMQEGTCONWSH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120218
Cc1ccccc1CN1CCc2nnc(CNS(=O)(=O)c3ccccc3)n2CC1	ChEMBL-DNDi_CHEMBL42721202,MCULE-5016878853,ZINC22_299785437,EMOLS-id_68897171,PC-id_118756710	411.52	ZLAGYRJZSLWNKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120219
Cc1ccsc1CN1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1	MCULE-1764778384,CoCoCo_1598692,CoCoCo_1598693,PC-id_26350838,ZINC22_14995308,EMOLS-id_20718427	411.52	XNTJUOBCFKDZGR-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120220
Cc1nc(c2ccc(CCNC(=O)Cn3nc4n(c3=O)CCCCC4)cc2)cs1	ZINC22_12935468,EMOLS-id_24106581,PC-id_25617521,CoCoCo_4692700,MCULE-2562941615	411.52	UBLIZNHPZJAAOY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120221
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccs1)CC2	CoCoCo_1277247,CoCoCo_1277248,PC-id_42468634,ZINC22_12213469	411.52	KZFFMHZOOIZVMS-MRXNPFEDSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120222
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccs1)CC2	CoCoCo_1277250,PC-id_42468636,CoCoCo_1277249,ZINC22_12213471	411.52	KZFFMHZOOIZVMS-INIZCTEOSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120223
CCn1cc(CN2CCc3nc(C(=O)Nc4cccc(OC)c4)sc3CC2)cn1	ZINC22_1205528461,EMOLS-id_313791805	411.52	NFXSKIFWLSWBHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120224
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3cccs3)CCn12	PC-id_45194480,ChEMBL-DNDi_CHEMBL28660077,MCULE-6536468789,EMOLS-id_20504083	411.52	KZFFMHZOOIZVMS-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120225
Cn1c2CCN(CCc2nc1C(=O)NCc1cccs1)C(=O)C1(CCCC1)C#N	EMOLS-id_313767119,ZINC22_1565555471	411.52	BDLYUEDGINWMJM-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-120226
Cn1c2CCN(CCc2nc1C(=O)NCc1cccs1)C(=O)CCc1ccc[nH]1	ZINC22_1565555482,EMOLS-id_313767375	411.52	BGSOZLSDMQAJJG-UHFFFAOYSA-N	00000000110100000101000000000010000000000000000000000000	31-01-120227
COc1ccccc1c1scc(n1)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_86884585	411.52	WFBKXKCYYQGGIW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120228
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cccs3)CCn12	MCULE-6472685841,ZINC22_12037836,PC-id_42369046,CoCoCo_1305780,EMOLS-id_20523807,CoCoCo_1305779	411.52	NLSWZLKHKBSDEK-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120229
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2cccs2)CC3)c1	ZINC22_11995463,CoCoCo_1204088,CoCoCo_1204087	411.52	WJLSKKDGAXLSJG-HNNXBMFYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120230
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2cccs2)CC3)c1	ZINC22_11995464,CoCoCo_1204086,CoCoCo_1204085	411.52	WJLSKKDGAXLSJG-OAHLLOKOSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120231
CSc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1	CoCoCo_1546722,ZINC22_20271257,CoCoCo_1546723,EMOLS-id_20684529,MCULE-6201020437,PC-id_28809808	411.52	DHRPGACAQIXNMQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-120232
CSc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1	MCULE-2388804552,EMOLS-id_20535293,ZINC22_20911228,PC-id_29214148,CoCoCo_1322278,CoCoCo_1322277	411.52	PFHFDWBTTITYDQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-120233
n12CCC(CCc1nn(Cc1cccnc1)c2=O)CC(=O)NCCc1cccs1	EMOLS-id_207877248,MCULE-5390992671	411.52	SSRSCDCRHYKJPO-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-120234
n12CCN(CCc1nnc2CNC(=O)C1CCOC1)Cc1cc2c(cccc2)s1	ChEMBL-DNDi_CHEMBL10422778,PC-id_45165540,EMOLS-id_20390936,MCULE-1870231762	411.52	ZSFHBBRPMXJOCI-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-120235
O=C(NCc1nnc2n1CCN(Cc1cc3ccccc3s1)CC2)[C@@H]1CCOC1	ZINC22_23128660	411.52	ZSFHBBRPMXJOCI-MRXNPFEDSA-N	00000010100000100101000001000010000000000000000000000000	31-01-120236
O=C(NCc1nnc2n1CCN(Cc1cc3ccccc3s1)CC2)[C@H]1CCOC1	ZINC22_23128661	411.52	ZSFHBBRPMXJOCI-INIZCTEOSA-N	00000010100000100101000001000010000000000000000000000000	31-01-120237
s1c2CCCCCc2c(c1NC(=O)CN(CC(=O)Nc1nc(ccc1)C)C)C#N	PC-id_56413717	411.52	SYTBVNBDSDDNIW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-120238
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c2c(n(nc2C)C)nc(c1)C	PC-id_24627422	411.52	XIMJCBUPAHRTQM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120239
s1c(Cc2ccc(cc2)C)c(nc1NC(=O)Cn1nc2n(CCCCC2)c1=O)C	PC-id_55896703	411.52	UMXVAIOUPZVMRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120240
s1c(C(C)C)c(nc1NC(=O)Cn1nc2n(CCCCC2)c1=O)c1ccccc1	PC-id_55688882	411.52	HVQFIGRQMGIBKZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120241
s1c(nc(CCNC(=O)Cn2nc3n(CCCCC3)c2=O)c1)c1ccc(cc1)C	PC-id_56418052	411.52	PMMQLUPOPUTABP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120242
S1C(=NC(=O)C1CC(=O)Nc1c(cccc1C)C)Cc1n2CCCCCc2nn1	PC-id_78678602	411.52	RGBDXAXYUGSUQL-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-120243
S1C(=NC(=O)C1CC(=O)Nc1c(cc(cc1)C)C)Cc1n2CCCCCc2nn1	PC-id_78678631	411.52	VVXSPYVNHSIGTC-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-120244
S1C(=NC(=O)C1CC(=O)Nc1c(ccc(c1)C)C)Cc1n2CCCCCc2nn1	PC-id_78678636	411.52	OVHYYSNDYBUNRQ-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-120245
S1C(=NC(=O)[C@H]1CC(=O)Nc1c(cccc1C)C)Cc1n2CCCCCc2nn1	PC-id_8375446	411.52	RGBDXAXYUGSUQL-OAHLLOKOSA-N	00000011100000110101000000000010000000000000000000000000	31-01-120246
S1C(=NC(=O)[C@@H]1CC(=O)Nc1c(cccc1C)C)Cc1n2CCCCCc2nn1	PC-id_8375454	411.52	RGBDXAXYUGSUQL-HNNXBMFYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-120247
S1C(=NC(=O)[C@H]1CC(=O)Nc1c(cc(cc1)C)C)Cc1n2CCCCCc2nn1	PC-id_8375523	411.52	VVXSPYVNHSIGTC-MRXNPFEDSA-N	00000011100000110101000000000010000000000000000000000000	31-01-120248
S1C(=NC(=O)[C@@H]1CC(=O)Nc1c(cc(cc1)C)C)Cc1n2CCCCCc2nn1	PC-id_8375528	411.52	VVXSPYVNHSIGTC-INIZCTEOSA-N	00000011100000110101000000000010000000000000000000000000	31-01-120249
S1C(=NC(=O)[C@H]1CC(=O)Nc1c(ccc(c1)C)C)Cc1n2CCCCCc2nn1	PC-id_8375535	411.52	OVHYYSNDYBUNRQ-MRXNPFEDSA-N	00000011100000110101000000000010000000000000000000000000	31-01-120250
S1C(=NC(=O)[C@@H]1CC(=O)Nc1c(ccc(c1)C)C)Cc1n2CCCCCc2nn1	PC-id_8375542	411.52	OVHYYSNDYBUNRQ-INIZCTEOSA-N	00000011100000110101000000000010000000000000000000000000	31-01-120251
Cc1ccc(cc1)S(=O)(=O)N1CCCNCc2c(C1)nnn2Cc1ccccc1	PC-id_135036195	411.521	GYWWPSAYZALZHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120252
Cc1ccc(cc1)S(=O)(=O)N1CCCNCc2c(C1)n(nn2)Cc1ccccc1	PC-id_135036196	411.521	CMJRUANOYALBMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120253
O=C(c1ccc(cc1)OCc1ncsc1)NCCCc1nnc2n1CCCCC2	PC-id_86884610	411.521	CZHVPAUJIZASDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120254
s1c(nc(CC(=O)NCc2n3CCCCCc3nn2)c1)c1c(OCC)cccc1	PC-id_24676742	411.521	SKZLSXIUVVQHRA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120255
s1c(nc(C(=O)NCc2n3CCCCCc3nn2)c1)c1ccc(OC(C)C)cc1	PC-id_56298868	411.521	HPSCSHKDZNAJQH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120256
S1(=O)(=O)C[C@H](N(C2CC2)C(=O)COC(=O)c2sc3c(CCCCC3)c2)CC1	PC-id_8095724	411.535	RENPMERVFTZDEO-OAHLLOKOSA-N	00100010100000000100000000000010000000000000000000000000	31-01-120257
S1(=O)(=O)C[C@@H](N(C2CC2)C(=O)COC(=O)c2sc3c(CCCCC3)c2)CC1	PC-id_8095725	411.535	RENPMERVFTZDEO-HNNXBMFYSA-N	00100010100000000100000000000010000000000000000000000000	31-01-120258
S1(=O)(=O)CC(N(C2CC2)C(=O)COC(=O)c2sc3c(CCCCC3)c2)CC1	PC-id_78604551	411.535	RENPMERVFTZDEO-UHFFFAOYSA-N	00100010100000000100000000000010000000000000000000000000	31-01-120259
CCc1c2-c(ccc(cc2)CC(=O)N(CC)OCC(=O)N2CCCC2)c(c1N)CC	PC-id_88267576,SCHEMBL8229922	411.537	YPBGTZRNPSYUMG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-120260
CCCCCNCCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_21953102,SCHEMBL6092794	411.537	HKGRVLZUEOLYQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120261
CCCCCNCCCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL6094153,PC-id_21953182	411.537	LYMHOHHCZNMXPJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120262
CCCCCNC(Oc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)CC	SCHEMBL6401476,PC-id_69767054	411.537	ILUBIVXFDLECIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120263
CCC(CNCCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	PC-id_21953044,SCHEMBL6093161	411.537	DLJLSDXHLFOWPJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120264
CCC(CNCCCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	PC-id_21953063,SCHEMBL6094270	411.537	ONWWNZARBISTHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120265
CC(CCNCCCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	PC-id_21953130,SCHEMBL6092676	411.537	FKJWEIXPQHOPLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120266
CC(CCNCCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	SCHEMBL6095687,PC-id_21953117	411.537	UGICXUFLJDAPCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120267
CCC(NCCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)(C)C	PC-id_21953020,SCHEMBL6093211	411.537	QATJLYBNBXEDPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120268
CCCN(CCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)CCC	PC-id_69765628,SCHEMBL6397671	411.537	PRADZHVWGWIWTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120269
CC(N(C(C)C)CCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	SCHEMBL6094530,PC-id_21953107	411.537	FTDPJLUREVSZHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120270
O=C1c2c([nH]cc2C(=O)Nc2ccc(OCCCNCC(C)(C)C)cc2)CCCC1	PC-id_21953149,SCHEMBL6092461	411.537	BFMZNZBMRLDIGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120271
C1CCCc2cc(CCC1)[nH]c2/C=C/1N=C(C=C1OCc1ccccc1)c1ccc[nH]1	PC-id_135767909,SCHEMBL3874493	411.539	IOQVELCPUHQPSQ-ONUIUJJFSA-N	00000011110000110100100000000010000000000000000000000000	31-01-120272
C1CCCc2cc(c([nH]2)C=C2C(=CC(=N2)c2ccc[nH]2)OCc2ccccc2)CCC1	PC-id_136657096	411.539	IOQVELCPUHQPSQ-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-120273
CCc1nc(nn1CC(=C)N1CCc2c(CC1)nc(s2)C)c1ccc(c(c1)C)F	PC-id_118964293,SCHEMBL17613254	411.539	VUVGASQLWRCKFL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120274
CCOC(=O)c1c(NC(=O)C(=S)NN2CCOCC2)sc2c1CCCCC2	PC-id_17388957,MCULE-1087700674	411.539	RDFROJOZRLZJNR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-120275
COCCN(Cc1cccs1)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317418331,MCULE-6117926877	411.539	SPYCRQQOLJGFBW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-120276
s1c2CCN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC(O)c2cc1	PC-id_85814558	411.558	HCZRWQSXTQODGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120388
O(c1/c(=C/c2[nH]c3CCCCCCCc2c3)/[nH]/c(=C/2N=CC=C2)/c1)Cc1ccccc1	PC-id_18177022	411.539	MZLXSUXXFXZYCJ-ZDSFCLCXSA-N	00000011110000110100100000000010000000000000000000000000	31-01-120277
O(c1/c(=C/c2[nH]c3CCCCCCCc2c3)/[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68822620	411.539	MZLXSUXXFXZYCJ-UQFSYJPNSA-N	00000011110000110100100000000010000000000000000000000000	31-01-120278
O(c1c(=Cc2[nH]c3CCCCCCCc2c3)[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68822621	411.539	MZLXSUXXFXZYCJ-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-120279
s1c2c(CCCCC2)c(c1NC(=O)CSC1NCCC(=O)N1)C(=O)OCC	PC-id_78330537	411.539	DLHPBTFKWOHBSR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-120280
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccccc3OCC=C)CCn12	PC-id_45185974,ChEMBL-DNDi_CHEMBL21788230,EMOLS-id_20467135,MCULE-6990500905	411.54	JZDPBWRAGOUJGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120281
c1(C(CC(C)C)NC(=O)C)nnc2CCN(CC=Cc3ccc(cc3)OC)CCn12	MCULE-7585916658,PC-id_74784631	411.54	JMFWMFMHLHLKFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120282
c1(C(CC(C)C)NC(=O)C)nnc2CCN(CC=Cc3ccccc3OC)CCn12	MCULE-9809379837,PC-id_74806095	411.54	DXHGZGUEQIUGBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120283
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccccc3C)CCn12	MCULE-4993250083,EMOLS-id_232713828,PC-id_45929434	411.54	FKYFCUBFZORKJV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120284
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3cccc(C)c3)CCn12	EMOLS-id_20590737,MCULE-2439239733,PC-id_45214356	411.54	BUTSFQDMFGTQHS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120285
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccccc3OCC=C)CCn12	EMOLS-id_20571221,MCULE-4010496599,PC-id_45209795	411.54	QQBKLMYRGJARBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120286
c1(C(C(C)C)NC(=O)CC)nnc2CCN(CC=Cc3ccccc3OC)CCn12	PC-id_75100569,MCULE-9604830503	411.54	MZXRDQQACRVWIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120287
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(cc3)CC)CCn12	EMOLS-id_20556313,PC-id_45206335,MCULE-4911812305	411.54	XZIKZCNVXBNGNH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120288
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(CCCc3ccccc3)CCn12	MCULE-7613907734,EMOLS-id_20449461,PC-id_45181829	411.54	CKKKSXBKTDXATI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120289
Cc1ccccc1CN1CCc2nnc([C@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	ZINC22_14880785	411.54	FKYFCUBFZORKJV-TZIWHRDSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120290
Cc1ccccc1CN1CCc2nnc([C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	ZINC22_14880788	411.54	FKYFCUBFZORKJV-CTNGQTDRSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120291
Cc1ccccc1CN1CCc2nnc([C@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	ZINC22_14880789	411.54	FKYFCUBFZORKJV-PZJWPPBQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120292
Cc1ccccc1CN1CCc2nnc([C@@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	ZINC22_14880790	411.54	FKYFCUBFZORKJV-FPOVZHCZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120293
Cc1ccc(C)c(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)c1	PC-id_26341437,ZINC22_14986937,CoCoCo_1366781,MCULE-2909203538,ChEMBL-DNDi_CHEMBL42038382,EMOLS-id_20565703,CoCoCo_1366780	411.54	JDWSEQHHXGRCKL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120294
Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)c1	PC-id_28739668,CoCoCo_1221892,MCULE-2602978123,CoCoCo_1221891,ZINC22_20211769,EMOLS-id_20465569	411.54	RPMKFQFZLSAMKU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120295
Cc1cccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1	CoCoCo_1404480,ZINC22_14999621,CoCoCo_1404481	411.54	BUTSFQDMFGTQHS-PZJWPPBQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120296
Cc1cccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1	CoCoCo_1404483,CoCoCo_1404482,ZINC22_14999616	411.54	BUTSFQDMFGTQHS-TZIWHRDSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120297
Cc1cccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1	CoCoCo_1404485,CoCoCo_1404484,ZINC22_14999624	411.54	BUTSFQDMFGTQHS-FPOVZHCZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120298
Cc1cccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1	CoCoCo_1404486,CoCoCo_1404487,ZINC22_14999618	411.54	BUTSFQDMFGTQHS-CTNGQTDRSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120299
CC1CCCN(C1)Cc1ccccc1CNC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_320286204,PC-id_55718253,MCULE-4572954048	411.54	WPHBHHINEMKZQX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120300
Cc1csc(c2ccc(C(=O)Nc3sc4c(c3C(=O)N)CCCCC4)cc2)n1	PC-id_71881202,MCULE-5753223749,ZINC22_84271383,EMOLS-id_44561947	411.54	DVWONXWDWKMKPW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120301
CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1	CoCoCo_1352918,ZINC22_20998273,CoCoCo_1352919	411.54	XZIKZCNVXBNGNH-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120302
CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1	ZINC22_20998275,CoCoCo_1352920,CoCoCo_1352921	411.54	XZIKZCNVXBNGNH-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120303
CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)cc1	MCULE-2839302869,PC-id_45224239,EMOLS-id_20632179	411.54	JMOFJIVECACOBK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120304
CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc1	CoCoCo_1466625,ZINC22_14973173,PC-id_26329948,CoCoCo_1466627	411.54	JMOFJIVECACOBK-HXUWFJFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120305
CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)cc1	PC-id_26329944,CoCoCo_1466626,ZINC22_14973169,CoCoCo_1466628	411.54	JMOFJIVECACOBK-FQEVSTJZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120306
C/C(=C/c1ccco1)/CN1CCc2n(CC1)c(nn2)CCNC(=O)C1CCCCC1	CoCoCo_1320786,CoCoCo_1320788	411.54	IGYPSJLWVOGWHD-VLGSPTGOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-120307
C/C(=Cc1ccco1)/CN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1	CoCoCo_1320789,EMOLS-id_44852467,PC-id_42424702,ZINC22_64074378,CoCoCo_1320787	411.54	IGYPSJLWVOGWHD-FBMGVBCBSA-N	00000000101010000101000000000010000000000000000000000000	31-01-120308
CC(CN1CCc2nnc(CCNC(=O)C3CCOCC3)n2CC1)c1ccccc1	MCULE-4392835218,PC-id_45192188,EMOLS-id_20494201	411.54	QYKWHXFCXWGGHK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120309
C=CCOc1ccccc1CN1CCc2nnc([C@H](CC(C)C)NC(=O)C)n2CC1	CoCoCo_1224188,PC-id_42163878,CoCoCo_1224187,ZINC22_11783818	411.54	JZDPBWRAGOUJGS-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120310
C=CCOc1ccccc1CN1CCc2nnc([C@@H](CC(C)C)NC(=O)C)n2CC1	ZINC22_11783817,CoCoCo_1224186,CoCoCo_1224185,PC-id_42163876	411.54	JZDPBWRAGOUJGS-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120311
s1c2CCCCCc2c(c1NC(=O)CCN(CC(O)CC)c1ccccc1)C#N	PC-id_56318650	411.56	AEKYNHQINRTJOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120408
C=CCOc1ccccc1CN1CCc2nnc([C@H](NC(=O)CC)C(C)C)n2CC1	CoCoCo_1375086,CoCoCo_1375085,ZINC22_14989774	411.54	QQBKLMYRGJARBE-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120312
C=CCOc1ccccc1CN1CCc2nnc([C@@H](NC(=O)CC)C(C)C)n2CC1	CoCoCo_1375088,ZINC22_14989772,CoCoCo_1375087	411.54	QQBKLMYRGJARBE-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120313
CC(C)Oc1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1	MCULE-3733882689,PC-id_28957020,CoCoCo_1245456,ZINC22_20454411,CoCoCo_1245455,EMOLS-id_20481807	411.54	QIEPGBVMTPIBFO-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-120314
CCC(=O)NC(C(C)C)c1nnc2CCN(C/C=C/c3ccccc3OC)CCn12	EMOLS-id_44852997,PC-id_45212020	411.54	MZXRDQQACRVWIU-CSKARUKUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120315
CCC(=O)N[C@@H](c1nnc2n1CCN(CC2)C/C=Cc1ccccc1OC)C(C)C	CoCoCo_1389312,CoCoCo_1389314	411.54	MZXRDQQACRVWIU-XGEAVTJYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120316
CCC(=O)N[C@H](c1nnc2n1CCN(CC2)C/C=Cc1ccccc1OC)C(C)C	CoCoCo_1389316,CoCoCo_1389318	411.54	MZXRDQQACRVWIU-ZVXDMYHRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120317
CCC(=O)N[C@H](c1nnc2n1CCN(C/C=C/c1ccccc1OC)CC2)C(C)C	CoCoCo_1389317,CoCoCo_1389319,ZINC22_14993568	411.54	MZXRDQQACRVWIU-RCHCNPRSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120318
CCC(=O)N[C@@H](c1nnc2n1CCN(C/C=C/c1ccccc1OC)CC2)C(C)C	ZINC22_14993570,CoCoCo_1389315,CoCoCo_1389313	411.54	MZXRDQQACRVWIU-DQACCSDVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120319
C[C@@H]1CCCN(Cc2ccccc2CNC(=O)Cn2nc3n(c2=O)CCCCC3)C1	ZINC22_107606514	411.54	WPHBHHINEMKZQX-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120320
C[C@H]1CCCN(Cc2ccccc2CNC(=O)Cn2nc3n(c2=O)CCCCC3)C1	ZINC22_107606517	411.54	WPHBHHINEMKZQX-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120321
C[C@H](CN1CCc2nnc(CCNC(=O)C3CCOCC3)n2CC1)c1ccccc1	CoCoCo_1262953,CoCoCo_1262955,ZINC22_12037576	411.54	QYKWHXFCXWGGHK-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120322
C[C@@H](CN1CCc2nnc(CCNC(=O)C3CCOCC3)n2CC1)c1ccccc1	CoCoCo_1262956,ZINC22_12037573,CoCoCo_1262954	411.54	QYKWHXFCXWGGHK-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120323
C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(CCCc1ccccc1)CC2	ZINC22_14881444,CoCoCo_1199517,CoCoCo_1199516	411.54	CKKKSXBKTDXATI-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120324
C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(CCCc1ccccc1)CC2	ZINC22_14881445,CoCoCo_1199519,CoCoCo_1199518	411.54	CKKKSXBKTDXATI-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120325
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)Cc1ccccc1	PC-id_66932298,SCHEMBL1175687	411.54	IIHNDSTUMGBGDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120326
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)Cc1ccccc1	PC-id_57635441,SCHEMBL1175683	411.54	IIHNDSTUMGBGDQ-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120327
COc1ccccc1/C=C/CN1CCc2nnc(C(CC(C)C)NC(=O)C)n2CC1	PC-id_45193973,EMOLS-id_25999139,ChEMBL-DNDi_CHEMBL28206688	411.54	DXHGZGUEQIUGBM-VQHVLOKHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120328
COc1ccccc1/C=C/CN1CCc2nnc([C@H](CC(C)C)NC(=O)C)n2CC1	CoCoCo_1274189,PC-id_42467359,CoCoCo_1274191,ZINC22_12211673	411.54	DXHGZGUEQIUGBM-JCOOBLOPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120329
COc1ccccc1/C=C/CN1CCc2nnc([C@@H](CC(C)C)NC(=O)C)n2CC1	PC-id_42467355,ZINC22_12211669,CoCoCo_1274187,CoCoCo_1274185	411.54	DXHGZGUEQIUGBM-FHVRUZERSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120330
COc1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2[C@H](NC(=O)C)CC(C)C	CoCoCo_1238937,CoCoCo_1238939	411.54	JMFWMFMHLHLKFD-QEVIJRNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120331
COc1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2[C@@H](NC(=O)C)CC(C)C	CoCoCo_1238941,CoCoCo_1238943	411.54	JMFWMFMHLHLKFD-RMUOZIPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120332
COc1ccccc1/C=CCN1CCn2c(CC1)nnc2[C@H](NC(=O)C)CC(C)C	CoCoCo_1274184,CoCoCo_1274186	411.54	DXHGZGUEQIUGBM-YHAGJJCESA-N	00000000100000110101000000000010000000000000000000000000	31-01-120333
COc1ccccc1/C=CCN1CCn2c(CC1)nnc2[C@@H](NC(=O)C)CC(C)C	CoCoCo_1274190,CoCoCo_1274188	411.54	DXHGZGUEQIUGBM-XOYLTFLUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120334
COc1ccccc1CN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1	ZINC22_23128947,EMOLS-id_20394378,MCULE-1565485117,PC-id_30852382,CoCoCo_1124315,CoCoCo_1124316	411.54	JIFFBOCUCGFJRV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120335
COc1ccc(/C=C/CN2CCc3nnc(C(CC(C)C)NC(=O)C)n3CC2)cc1	PC-id_45188330,EMOLS-id_25996519,ChEMBL-DNDi_CHEMBL23582769	411.54	JMFWMFMHLHLKFD-AATRIKPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120336
COc1ccc(/C=C/CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)cc1	CoCoCo_1238942,CoCoCo_1238944,PC-id_42237134,ZINC22_11869762	411.54	JMFWMFMHLHLKFD-LYSGITKLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120337
COc1ccc(/C=C/CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)cc1	PC-id_42237131,CoCoCo_1238940,CoCoCo_1238938,ZINC22_11869760	411.54	JMFWMFMHLHLKFD-YAQIIAKESA-N	00000000100000110101000000000010000000000000000000000000	31-01-120338
COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c(C)c1C	CoCoCo_1360863,EMOLS-id_20561673,CoCoCo_1360862,MCULE-9647728543,ZINC22_20999779,PC-id_29259197	411.54	LFZYEJBVUVWNJX-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-120339
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)CC(=Cc1ccco1)C	MCULE-4485061401,PC-id_74802202	411.54	IGYPSJLWVOGWHD-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-120340
n12CCN(CCc1nnc2CCNC(=O)COc1ccccc1)CC1CCCCC1	PC-id_26352956,CoCoCo_1399893,CoCoCo_1399892,ZINC22_14997228,EMOLS-id_20587711,MCULE-5705827143	411.54	OSEOFOGCZTUIOS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120341
N#Cc1c(NC(=O)C[NH+]2CCN(CC2)c2ccccc2O)sc2c1CCCCC2	GD-id_ZINC03583109,PC-id_2697711	411.54	KIYKKRKHYWSFKA-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-120342
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(CN2CC(CCC2)C)cc1	PC-id_55714780	411.54	PTBPHAWNZSOSDC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120343
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(CN2C(CCCC2)C)cc1	PC-id_55714958	411.54	BNLQXEZSOMCATP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120344
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(CN2CCCCCC2)cc1	PC-id_56192668	411.54	VSFZWBLOOPKGKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120345
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(CN2CCCCCC2)ccc1	PC-id_56214579	411.54	OACVYLZMRGSKGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120346
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(N(C2CCCCC2)C)cc1	PC-id_56155044	411.54	KYCXMEZJGWFWHE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120347
O=c1n2CCCCCc2nn1CC(=O)NCc1c(CN2CCC(CC2)C)cccc1	PC-id_55715666	411.54	MRGYBFGVNDUFLY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120348
O=c1n2CCCCCc2nn1CC(=O)NCc1c(CN2C(CCCC2)C)cccc1	PC-id_55718237	411.54	HQYZBCGDZOVSJP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120349
O=C(N1CCC(CC1)CCc1ccc(O)cc1)NCCc1n2CCCCCc2nn1	PC-id_52651103	411.54	LXYQWMIQCXBEMI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120350
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)COc1cc(C(C)C)ccc1	PC-id_46417749	411.54	JFNFHTQIBYVFKZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120351
O=C(N1CCN(CCC1)CCCc1ccccc1)Cn1nc2n(CCCCC2)c1=O	PC-id_56362511	411.54	ZTYJVOYRJWSVSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120352
O=C(NCc1cccc(c1)OC1CCCCC1)NCCc1nnc2n1CCCCC2	PC-id_86943116	411.54	IJVVHKDXXOKTAM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120353
O=C(NCCc1n2CCCCCc2nn1)CCNC(=O)c1ccc(C(C)(C)C)cc1	PC-id_55535658	411.54	GAKYNPRSWUKLPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120354
O=C(NCC(N1CCC(CC1)C)c1ccccc1)Cn1nc2n(CCCCC2)c1=O	PC-id_60551956	411.54	HBVHYJVGSRNRJC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120355
s1c2c(CCCCC2)c(c1NC(=O)Cc1nc(sc1)c1ccccc1)C(=O)N	PC-id_55334230	411.54	BBICCGYFLNSAMB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120356
s1c2CCCCCc2c(c1NC(=O)C[NH+](CC(=O)Nc1ccc(cc1)C)C)C#N	PC-id_25700813	411.54	CFAUPOOINQUJLM-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-120357
S(=O)(=O)(N(CCCC(=O)NCc1n2CCCCCc2nn1)C)c1sccc1	PC-id_24646606	411.542	NIWRCCBKKJUFHN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-120358
CCNC(=NCc1ccc(cc1)C(=O)N(C)C)NCCc1nnc2n1CCCCC2	PC-id_111872985	411.544	JWVHHOLHSLZWGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120359
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccccc1OC	PC-id_111132553	411.544	YROWFKMHUNVOGL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120360
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccc(cc1)OC	PC-id_111242747	411.544	RJGOFRXHYMLEOH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120361
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1cccc(c1)OC	PC-id_111290679	411.544	DXEHQJYAULBSFL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120362
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)c1ccccc1OC	PC-id_109706439	411.544	FXUHPXQXCOCDGQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-120363
CCNC(=NCc1nnc2n1CCCCC2)NCCc1cccc(c1)C(=O)N(C)C	PC-id_111670254	411.544	RHGYBXJIUYNJHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120364
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1cccc(c1)C(=O)NC	PC-id_111633327	411.544	NMCXDHREHQCNJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120365
CN=C(N1CCN(CC1)c1ccccc1OC)NCCc1nnc2n1CCCCC2	PC-id_111133715	411.544	PCOIFUZNONQGJO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120366
CN=C(N1CCN(CC1)c1ccccc1O)NCCCc1nnc2n1CCCCC2	PC-id_111185320	411.544	ADHZGMWKAQTYLX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120367
CN=C(NC1CCN(C1)c1ccccc1OC)NCCc1nnc2n1CCCCC2	PC-id_109706461	411.544	SHJRBTSILUNOBA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-120368
CN=C(NCc1ccc(cc1)C(=O)N(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111873603	411.544	OGJVACPHIRNQFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120369
CN=C(NCc1nnc2n1CCCCC2)NCc1ccccc1CN1CCOCC1	PC-id_111374163	411.544	KLCASYUKJRIAJJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120370
CN=C(NCCc1cccc(c1)C(=O)NC)NCCCc1nnc2n1CCCCC2	PC-id_111632487	411.544	AVAXIAPAZYMLOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120371
CN=C(NCCc1nnc2n1CCCCC2)NCCc1cccc(c1)C(=O)N(C)C	PC-id_111668884	411.544	IGUVAXSONHFOBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120372
O=C(NCc1ccnc(c1)N1CCCCCC1)NCCc1nnc2n1CCCCC2	PC-id_86898874	411.544	YKPNMEQKTDBFSS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-120373
O=C(NCCc1n2CCCCCc2nn1)NCc1ccc(N2CCC(CC2)C)nc1	PC-id_55745381	411.544	KHXULDQMBNGDLG-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-120374
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1ncccn1)C#N	PC-id_40693490	411.544	BJUULRISLPSGRI-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-120375
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1ncccn1)C)C#N	PC-id_9439552	411.544	HPWSGUUBSQNJQV-HNNXBMFYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-120376
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1ncccn1)C)C#N	PC-id_9439555	411.544	HPWSGUUBSQNJQV-OAHLLOKOSA-O	00000000100010100101100000000010000000000000000000000000	31-01-120377
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1ncccn1)C)C#N	PC-id_85009664	411.544	HPWSGUUBSQNJQV-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-120378
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1ncccn1	PC-id_111206096	411.547	GWARDZNYJHTWBV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-120379
COc1ccc(C(=O)C2CCN(C(=O)c3cc4c(s3)CCCCCC4)CC2)cc1	CoCoCo_4563426,PC-id_25472850,ZINC22_12739084,EMOLS-id_25654770,MCULE-6898846173	411.557	AUIMNRFVSVXXEP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-120380
s1c2CCCCCc2cc1C(=O)OCC(=O)N1CCC(CC1)Cc1ccccc1	PC-id_7352104	411.557	VWGFLCWFQWTGNI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-120381
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)OCC	PC-id_4647307	411.557	YMLFETWTHYPIPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120382
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)OCC	PC-id_6386682	411.557	YMLFETWTHYPIPM-NTCAYCPXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120383
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C(=O)OC	PC-id_5099731	411.557	CLRIFYTULGNABV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120384
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)OC	PC-id_6270117	411.557	CLRIFYTULGNABV-NTCAYCPXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120385
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)OC	PC-id_4640065	411.557	JDVHPXCHSLDRHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120386
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)OC	PC-id_6172805	411.557	JDVHPXCHSLDRHF-NTCAYCPXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120387
c1(c2CCCCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCN(CC1)C	CoCoCo_735511,TIMTEC36354,MCULE-5430625487,PC-id_1368136,EMOLS-id_1116854,ZINC22_55212204	411.56	PSHYDUOEHUUAOU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120389
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)N1CCN(CC1)C	ZINC22_55195903,TIMTEC457862,PC-id_1253175,EMOLS-id_1116254,MCULE-7399248698,CoCoCo_706107	411.56	SSNOXFKVWQEKCL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120390
c1(c2CCCCCc2sc1NC(=O)c1cccc(C)c1)C(=O)N1CCN(CC1)C	MCULE-7070818141,SCHEMBL12218142,TIMTEC163105,ZINC22_55196285,CoCoCo_1745781,CK1533575,PC-id_1345725,ChEMBL-DNDi_CHEMBL6240960,EMOLS-id_1117396	411.56	GBQNQTSRJPDCDK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120391
c1(NC(=O)CC2CCN(CC2)C(=O)Cc2ccccc2)sc2c(CCCCC2)n1	ZINC22_19748865,EMOLS-id_132657,PC-id_92634183,BDA-25044259,MCULE-2480960445	411.56	BKDQVPOSQRHJPW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120392
c1(NC(=O)CCCc2c3ccccc3n(CCOC)c2)sc2c(CCCCC2)n1	MCULE-7437948055,EMOLS-id_323390557	411.56	RACSSRLNCSKWMN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-120393
c1(NC(=O)COc2cccc3c2ccn3CCC(C)C)sc2c(CCCCC2)n1	MCULE-6754107654,EMOLS-id_323379180	411.56	ZKAMTOXDYNPDFD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-120394
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2ccc(cc2)CCCC)C1	EMOLS-id_334603639,MCULE-8418873403	411.56	DDIKMBUSHIQFCU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-120395
CCc1cccc(CC)c1N1CC(CC1=O)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_334604407,MCULE-9683314572	411.56	IAMSLHSQOXISLN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-120396
C=C/C=C(/c1n(CC)c2=CC(=CCC=c2c1C#N)OC)C=C/CN(S(=O)CC)C	PC-id_143184508	411.56	MZXLYCHAODCIJW-KPGOJGKGSA-N	00000000100000000110000000000010000000000000000000000000	31-01-120397
CCOc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	CoCoCo_3579098,MCULE-5275693280,ZINC22_13058522,CoCoCo_3579097,PC-id_25692844,EMOLS-id_48934207	411.56	DOJHBYWOFDQHOK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120398
NC(=O)C1CCCN(C1)Cc1ccccc1NC(=O)c1cc2c(s1)CCCCC2	MCULE-1915839475,EMOLS-id_48993437,PC-id_47090670	411.56	XUQSWQWGKBPUEY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-120399
NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)c2cc3c(s2)CCCCC3)C1	PC-id_52500923,ZINC22_58156778	411.56	XUQSWQWGKBPUEY-SFHVURJKSA-N	00000000100010110100000000000010000000000000000000000000	31-01-120400
NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)c2cc3c(s2)CCCCC3)C1	ZINC22_58156781,PC-id_52500925	411.56	XUQSWQWGKBPUEY-GOSISDBHSA-N	00000000100010110100000000000010000000000000000000000000	31-01-120401
O=C(CN1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1)Nc1ccccc1	CoCoCo_4596368,MCULE-1893300667,ZINC22_23493159,EMOLS-id_44048033,PC-id_31147614	411.56	RTMKISFUYBZIBP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120402
OCCN(CCc1ccccc1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_86942986	411.56	XGTGNQHTHWRXGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120403
O=C(Nc1nc2c(s1)CCCCC2)C1CCN(C(=O)CCc2ccccc2)CC1	ZINC22_32827343,EMOLS-id_27417104,CoCoCo_4845316,MCULE-1611630508,PC-id_40062997	411.56	MENZNDYCCIYKLC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120404
s1c2CCCCCc2cc1C(=O)Nc1ccc(CN2CC(CCC2)C(=O)N)cc1	PC-id_56322988	411.56	UDBDDBWCEKBEPX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-120405
s1c2c(CCCCC2)cc1C(=O)NC1CCN(CC1)CC(=O)Nc1ccccc1	PC-id_16589845	411.56	GSCVEVQNRHWRSG-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-120406
s1c2c(CCCCC2)c(c1NC(=O)CC1CCCCC1)C(=O)Nc1ncccc1	PC-id_76321287	411.56	OSHOMZYVRODVNN-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-120407
s1c2CCCCCc2c(c1NC(=O)[C@@H](N(Cc1ccc(OCC)cc1)C)C)C#N	PC-id_9494925	411.56	VTHOAESNEIGBES-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120409
s1c2CCCCCc2c(c1NC(=O)[C@H](N(Cc1ccc(OCC)cc1)C)C)C#N	PC-id_9494928	411.56	VTHOAESNEIGBES-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120410
s1c2CCCCCc2c(c1NC(=O)C(N(Cc1ccc(OCC)cc1)C)C)C#N	PC-id_85025905	411.56	VTHOAESNEIGBES-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120411
s1c2CCCCCc2c(c1NC(=O)CN(C(c1cc(OC)ccc1)C)CC)C#N	PC-id_75878435	411.56	RYSPCLPZYXOTDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120412
s1c2CCCCCc2c(c1NC(=O)CN([C@H](c1cc(OC)ccc1)C)CC)C#N	PC-id_52599494	411.56	RYSPCLPZYXOTDP-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120413
s1c2CCCCCc2c(c1NC(=O)CN([C@@H](c1cc(OC)ccc1)C)CC)C#N	PC-id_52599496	411.56	RYSPCLPZYXOTDP-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120414
s1c2c(CCCCCC2)cc1C(=O)N1CC(CCC1)C(=O)Nc1ncccc1C	PC-id_75903899	411.56	TZSQOVRUHKIWNO-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-120415
s1c2c(CCCCCC2)cc1C(=O)N1C[C@@H](CCC1)C(=O)Nc1ncccc1C	PC-id_52699231	411.56	TZSQOVRUHKIWNO-GOSISDBHSA-N	00000000100010101100000000000010000000000000000000000000	31-01-120416
s1c2c(CCCCCC2)cc1C(=O)N1C[C@H](CCC1)C(=O)Nc1ncccc1C	PC-id_52699232	411.56	TZSQOVRUHKIWNO-SFHVURJKSA-N	00000000100010101100000000000010000000000000000000000000	31-01-120417
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)Nc1cc(ccc1)C	PC-id_56410688	411.56	MNOQHTIUOIPUBI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120418
s1c2CCCCCCc2cc1C(=O)Nc1cc(CN2C(CCC2)C(=O)N)ccc1	PC-id_75911727	411.56	BJWAXQQYOFXTFR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-120419
s1c2CCCCCCc2cc1C(=O)Nc1cc(CN2[C@H](CCC2)C(=O)N)ccc1	PC-id_52730660	411.56	BJWAXQQYOFXTFR-LJQANCHMSA-N	00000010100000110100000000000010000000000000000000000000	31-01-120420
s1c2CCCCCCc2cc1C(=O)Nc1cc(CN2[C@@H](CCC2)C(=O)N)ccc1	PC-id_52730662	411.56	BJWAXQQYOFXTFR-IBGZPJMESA-N	00000010100000110100000000000010000000000000000000000000	31-01-120421
s1c2CCCCCCc2cc1C(=O)NCc1cc(NC(=O)N2CCCC2)ccc1	PC-id_52690339	411.56	CHKRQYNYWMHAAV-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-120422
s1c(NC(=O)C2(CCN(CC2)C(=O)C)c2ccccc2)nc2CCCCCCc12	PC-id_56060815	411.56	KUHNPZFSRDVDFP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120423
c1(NC(=O)CSc2nnc(C)s2)sc2c(CCCCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL7431277,ZINC22_2696214,PC-id_2139614,ChEMBL-DNDi_CHEMBL1377637,CHEMBL1377637,MCULE-7880033203,CoCoCo_930197,EMOLS-id_1998426	411.562	FYSQOPNXZUHHBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120424
CCN1CCN(CCCNC(=O)c2ccc3CN(CCCn23)S(=O)(=O)C)CC1	EMOLS-id_317416542,MCULE-6939589416	411.562	JMOSLXFXWXOSPI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-120425
CCOC(=O)CSc1nnc(NC(=O)c2cc3c(s2)CCCCCC3)s1	ZINC22_36714305,CoCoCo_3282199,EMOLS-id_43830958,PC-id_45750537,MCULE-5486417391	411.562	VWWCAELUCYSYFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120426
O=C1NCCCCn2ncnc2S(=O)(=O)CCCCCC/C=CCCCCN1	PC-id_118528573,SCHEMBL17278724	411.562	YLQQCNCKPKMDDO-IWQZZHSRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-120427
s1c2c(CCCCC2)c(c1NC(=O)CCSc1sc(nn1)C)C(=O)OC	PC-id_24029055	411.562	JQKKDUOHVHZZIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120428
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(nn1)C)C)C(=O)OC	PC-id_23914597	411.562	KEQMPNOACYHHAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120429
s1c2c(CCCCCC2)c(c1NC(=O)CSc1sc(nn1)C)C(=O)OC	PC-id_19727742	411.562	DVLLJYSZLHRJLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120430
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2CCCCCc2n1)c1sccc1	PC-id_56284177	411.562	XCOLTENQRASZPU-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-120431
S(=O)(=O)(N1CCC(CC1)C(=O)NCCc1n2CCCCCc2nn1)CCCC	PC-id_55823151	411.562	MVWQUJPZCSFUBD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-120432
C1CC2CC1CC2NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCNCC1	PC-id_89125895	411.564	HNFWVMINRHSURA-UHFFFAOYSA-N	00000010100010000111000000000110000000000000000000000000	31-01-120433
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3cc4c(cccc4)s3)CCn12	MCULE-3552383878,EMOLS-id_232733108,PC-id_45930402	411.564	HPJJZRLNQVABJH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120434
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	ZINC22_12123435	411.564	HPJJZRLNQVABJH-LJQANCHMSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120435
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	ZINC22_12123446	411.564	HPJJZRLNQVABJH-IBGZPJMESA-N	00000000100000100101000001000010000000000000000000000000	31-01-120436
O=C(c1sc2c(c1)C/N=C(N=C/C/C=C)/NC1CC2CC1CC2)N1CCNCC1	SCHEMBL13591923	411.564	HNFWVMINRHSURA-SUZFJNPMSA-N	00000010100010000111000000000110000000000000000000000000	31-01-120437
O=C(NC(c1n2CCN(CCc2nn1)Cc1c(cccc1)C)C)C1CC[NH+](CC1)C	PC-id_74558261	411.564	YMQKPHINDXCWIF-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-120438
O=C(N[C@@H]1CC[N@H+](CC1)Cc1ccccc1C)NCCc1nnc2n1CCCCC2	GD-id_ZINC45384125	411.564	CYBUSBVQVKDCMG-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-120439
O=C(N[C@@H]1CC[N@H+](CC1)Cc1cccc(c1)C)NCCc1nnc2n1CCCCC2	GD-id_ZINC48371267	411.564	SPYPQRJSXQDYIF-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-120440
O=C(N[C@@H](c1n2CCN(CCc2nn1)Cc1c(cccc1)C)C)C1CC[NH+](CC1)C	PC-id_28392775	411.564	YMQKPHINDXCWIF-GOSISDBHSA-O	00000000100010110101000000000010000000000000000000000000	31-01-120441
O=C(N[C@H](c1n2CCN(CCc2nn1)Cc1c(cccc1)C)C)C1CC[NH+](CC1)C	PC-id_28392778	411.564	YMQKPHINDXCWIF-SFHVURJKSA-O	00000000100010110101000000000010000000000000000000000000	31-01-120442
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1[nH+]cccc1)C#N	PC-id_8546056	411.564	TVDJHRSPYJRFBX-UHFFFAOYSA-P	00000000100010101101100000000010000000000000000000000000	31-01-120443
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1[nH+]cccc1)C)C#N	PC-id_9459385	411.564	WIXHISICSWPFIY-INIZCTEOSA-P	00000000100010101101100000000010000000000000000000000000	31-01-120444
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1[nH+]cccc1)C)C#N	PC-id_9459387	411.564	WIXHISICSWPFIY-MRXNPFEDSA-P	00000000100010101101100000000010000000000000000000000000	31-01-120445
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1[nH+]cccc1)C)C#N	PC-id_85014256	411.564	WIXHISICSWPFIY-UHFFFAOYSA-P	00000000100010101101100000000010000000000000000000000000	31-01-120446
S1(=O)(=O)C[C@H](N(C[C@H]2OCCC2)C(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_52435661	411.579	VBYGEMDDFMFBHP-SJORKVTESA-N	00000010100000000100000000000010000000000000000000000000	31-01-120447
CCNC(=NCc1nnc2n1CCCCC2)NCCC(N(Cc1ccccc1)C)C	PC-id_111719791	411.587	UXJROWQRJOWJDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120467
S1(=O)(=O)C[C@H](N(C[C@@H]2OCCC2)C(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_52435662	411.579	VBYGEMDDFMFBHP-IAGOWNOFSA-N	00000010100000000100000000000010000000000000000000000000	31-01-120448
S1(=O)(=O)C[C@@H](N(C[C@H]2OCCC2)C(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_52435663	411.579	VBYGEMDDFMFBHP-IRXDYDNUSA-N	00000010100000000100000000000010000000000000000000000000	31-01-120449
S1(=O)(=O)C[C@@H](N(C[C@@H]2OCCC2)C(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_52435664	411.579	VBYGEMDDFMFBHP-DLBZAZTESA-N	00000010100000000100000000000010000000000000000000000000	31-01-120450
S1(=O)(=O)CC(N(CC2OCCC2)C(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_75847453	411.579	VBYGEMDDFMFBHP-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-120451
CCC(n1nnc2c1CCCCCC2Cc1ccc(cc1)C(=O)OC(C)(C)C)(C)C	PC-id_139404276,SCHEMBL21261151	411.58	AOZVEOYDDJATBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120452
CC(c1ccc(c2-c(c1)c(C)cc2C(=NCCc1c[nH]c2c1cccc2)N(C)C)C)C	PC-id_139705180	411.582	TVCHUHJEBRRJNH-UHFFFAOYSA-N	00000010100000100110000001100010000000000000000000000000	31-01-120453
s1c2CCCCCCc2cc1C(=O)NNC(=S)NCCCCCC(=O)OC	PC-id_8788584	411.582	CIWGHWDEFDPIMU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-120454
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(cc3)CC(C)C)CCn12	EMOLS-id_20626187,ChEMBL-DNDi_CHEMBL57770345,PC-id_45222781,MCULE-5661849640	411.583	GDDWATKVBRSLTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120455
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(cc3)CC(C)C)CCn12	EMOLS-id_20552343,PC-id_45205416,MCULE-7541661508	411.583	KOZVLWJFDAFVRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120456
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2)C(C)C	CoCoCo_1347014,ZINC22_12244613,CoCoCo_1347013	411.583	KOZVLWJFDAFVRL-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120457
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2)C(C)C	CoCoCo_1347016,ZINC22_12244612,CoCoCo_1347015	411.583	KOZVLWJFDAFVRL-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120458
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2	PC-id_26326190,ZINC22_14967073,CoCoCo_1457412,CoCoCo_1457413	411.583	GDDWATKVBRSLTD-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120459
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2	PC-id_26326194,ZINC22_14967077,CoCoCo_1457415,CoCoCo_1457414	411.583	GDDWATKVBRSLTD-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120460
O=C(c1cc2c(s1)CCCCC2)N1CCN(CC1)Cc1nc2c(s1)cccc2	EMOLS-id_257846919,PC-id_9225881,MCULE-2500656285	411.583	AWROOPWWMIMBHY-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-120461
O=C(NC(C(C)C)c1ccc(C(CC)C)cc1)NCCc1n2CCCCCc2nn1	PC-id_55768859	411.583	QFNCSIICTNAOII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120462
s1c2CCCCCc2c(c1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1)C#N	PC-id_23791901	411.583	MSOIFCJCPCCYIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120463
s1c2CCCCCCc2cc1C(=O)NCCCc1scc(n1)c1ccncc1	PC-id_56462862	411.583	UNXYIKILWDEHQE-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-120464
CCN(C(c1ccccc1)CNC(=NC)NCCc1nnc2n1CCCCC2)CC	PC-id_111011245	411.587	BGUNETHAWVEATN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120465
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccccc1)N(CC)CC	PC-id_111011139	411.587	YTBIJEPOSPXEPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120466
CCNC(=NCCc1nnc2n1CCCCC2)NCCN(c1cccc(c1)C)CC	PC-id_111330910	411.587	XCRQXSSBNONDEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120468
CCNC(=NCCCN(c1ccccc1)CC)NCCc1nnc2n1CCCCC2	PC-id_111390143	411.587	UBSFIAARKRSMQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120469
CN=C(NCCc1nnc2n1CCCCC2)NCCC(N(Cc1ccccc1)C)C	PC-id_111719222	411.587	DITKVLVMDYWWFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120470
CN=C(NCCCc1nnc2n1CCCCC2)NCCCN(c1ccccc1)CC	PC-id_111390417	411.587	QJDQXLCPDWLVQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120471
CN=C(NCCN(c1cccc(c1)C)CC)NCCCc1nnc2n1CCCCC2	PC-id_111330950	411.587	JFBQFUKXSSVDRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120472
CCCCn1c(C)c2c(c1C)C=CC(=C/C=C/C1=[N+](C)c3ccccc3C1(C)C)C=C2	PC-id_101522745,ZINC22_685944475	411.602	QFMCOZRFRHUKIU-UHFFFAOYSA-N	00000011100000100110000000001010000000000000000000000000	31-01-120473
c1(C(=O)NCCCN2CCN(CC2)Cc2ccccc2)csc2CCCCCc12	PC-id_20881877,CoCoCo_2171593,CoCoCo_2171594,EMOLS-id_16062863,MCULE-8350252479	411.603	ITOSMRHQVXSDLX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120474
c1(C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)csc2CCCCCc12	CoCoCo_2171615,EMOLS-id_16062893,PC-id_20881892,CoCoCo_2171616,MCULE-2622806732	411.603	HEIXNSGZDRHZQP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120475
s1c2CCCCCCc2cc1C(=O)Nc1ccc(CCN2CCN(CC2)C)cc1	PC-id_52707832	411.603	OVWCNCALOGCGFR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120476
s1c2CCCCCCc2cc1C(=O)Nc1c(cc(N2CCN(CC2)CC)cc1)C	PC-id_24571038	411.603	XCRGLVUOSGNQBO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120477
s1c2c(CCCCCC2)cc1C(=O)NC(CN1CCN(CC1)C)c1ccccc1	PC-id_56466907	411.603	GBPBEQAAMUDSSY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120478
s1c(C(=O)N(C2CCN(CC2)CCc2ncccc2)C)cc2CCCCCCc12	PC-id_56275941	411.603	QEJWKWBXRVHSOG-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-120479
s1c2CCCCCCc2cc1C(=O)NNC(=S)NCCC[NH+]1CCOCC1	PC-id_8788576	411.605	SHBWEGNRCRBMIS-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-120480
s1c2c(CCCCCC2)c(c1NC(=S)NN1CC[NH+](CC1)C)C(=O)OCC	PC-id_2211492	411.605	RORGNUOZLHGTAE-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-120481
CCOC(=O)C(=NO)Cc1ccc2-c(cc1)c(c(c2OC(=O)O)Cl)OC(=O)O	PC-id_88281357,SCHEMBL8337014	411.747	LVUQTNBNXLMGQZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-120482
Brc1c2-c(c(c1I)Br)ccccc2	PC-id_101167116	411.859	VHPBIDUMWBBPAA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-120483
Clc1ccc(cc1)c1scc(c1C(=O)O)NC(=O)c1nc2c([nH]1)C=CCC=C2	PC-id_144157462	411.861	WERVDXZKKPTVOS-UHFFFAOYSA-N	00000000100100110111100000000010000000000000000000000000	31-01-120484
Clc1cc(OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1F	PC-id_4236661	411.875	YWLIBGNFTFAYJL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120485
OC(C1CC1)C1COc2c(SN1)cn(c2C(=O)Nc1ccc(c(c1)Cl)F)C	SCHEMBL21337319,PC-id_139471320	411.878	ZUVXMRJFMRFVMC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-120486
Cc1nn(c2c1CN(C(CO2)COc1ccccc1)C(=O)c1ccc(cc1)Cl)C	PC-id_136590221,EMOLS-id_323938286	411.881	KPZGFYUFLBGUMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120487
Clc1cc(C(=O)N2CC(c3c([nH]c(c3)C#N)C(=C2)C(=O)OC(C)C)(C)C)ccc1	BindingDB_PC-id_42611163,SCHEMBL4229091,PC-id_42611163,CHEMBL578757	411.881	ROKZTLMZUBCQTD-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-120488
COc1ccccc1CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccc(cc1)Cl	PC-id_134809294	411.881	IDCKPHHCWVWQTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120489
Clc1ccc(CNC(=O)C2CCc3nn(Cc4ccncc4)c(=O)n3CC2)cc1	EMOLS-id_207877074,MCULE-3284128023	411.885	LNZMBHFVJSKWRW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-120490
Clc1ccc(N(C(=O)Cn2nc3n(CCCCC3)c2=O)Cc2ncccc2)cc1	PC-id_55889601	411.885	YYLOTJKCMCPTCV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-120491
COc1ccc(NS(=O)(=O)c2cc3C(=O)N(CCCn3c2)C(C)C)cc1Cl	EMOLS-id_33087702,PC-id_53182964,MCULE-6110648422	411.903	BMVWUGGIZONKKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120492
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c(CCCCC2)c1C#N	PC-id_3662434,TIMTEC393497,CoCoCo_6819673,MCULE-7840916153,ZINC22_6254104,EMOLS-id_4091957	411.905	PYRADUXWQSGPRH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120493
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)NC(=O)c1cccnc1Cl	SCHEMBL8883555	411.905	LBMOSFLAGMBMHT-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-120494
Clc1c(C(=O)NCCc2n3CCCCCc3nn2)cc(S(=O)(=O)NC)cc1	PC-id_55535565	411.906	DXZJJMOPONMELP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120495
Clc1c(NS(=O)(=O)C)cc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_49018620	411.906	AUVDMNTZVIDTGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120496
Clc1ccc(NC(=O)c2nc3CCN(CCc3s2)S(=O)(=O)C2CC2)cc1	EMOLS-id_313728214,ZINC22_1259272105	411.926	CEDDSGNWZJPVAZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-120497
Clc1ccc(n2c(c(C(=O)NCCc3n4CCCCCc4nn3)cc2C)C)cc1	PC-id_52413965	411.928	NNYLNAXOTGXHKX-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-120498
Cc1nn2cc(S(=O)(=O)Nc3nc4c(s3)CCCCCC4)cnc2c1Cl	ZINC22_539470119	411.929	IEJKAFOAUFTFMG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120499
CCCC1C=CC=c2c(=C1)ccn2Cc1c(F)cc(cc1Cl)C(=N)N1CCCC1	SCHEMBL18977919	411.943	OBVWIZWUEUWPBA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-120500
Clc1cc(NC(=S)NNC(=O)c2sc3CCCCCCc3c2)ccc1F	PC-id_8788570	411.944	FBYDALLIJNOIAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120501
Clc1ccc(NC(=O)c2nc3CCN(CCc4ccccc4)CCc3s2)cc1	ZINC22_1201597029,EMOLS-id_313793340	411.948	QWZJZPYPYGXUAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120502
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccccc3Cl)CCn12	EMOLS-id_20704489,PC-id_45167341,MCULE-5956777284	411.949	DATBDFXDNVFIOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120503
CC(C(c1nnc2n1CCN(CC2)Cc1cccc(c1)Cl)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL21602579,PC-id_45166100	411.949	QDKMOVPGPKWIAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120504
CC(C(c1nnc2n1CCN(CC2)Cc1ccc(cc1)Cl)NS(=O)(=O)C)C	PC-id_45167493,ChEMBL-DNDi_CHEMBL94189340	411.949	BKOWZYNYORPECF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120505
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccccc1Cl)CC2	ZINC22_20536205	411.949	DATBDFXDNVFIOO-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120506
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccccc1Cl)CC2	ZINC22_20536207	411.949	DATBDFXDNVFIOO-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120507
Clc1ccc(CN2CCn3c(nnc3CC2)[C@H](NS(=O)(=O)C)C(C)C)cc1	PC-id_42422857	411.949	BKOWZYNYORPECF-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120508
Clc1ccc(CN2CCn3c(nnc3CC2)[C@@H](NS(=O)(=O)C)C(C)C)cc1	PC-id_42422860	411.949	BKOWZYNYORPECF-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120509
C[C@H](C1CCCCC1)NC(=O)c1n[nH]c2c1CCCC/C/2=Cc1ccc(cc1)Cl	PC-id_58882535,SCHEMBL176625	411.967	SCTAUPJHLGHZND-ORMOWBNMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120510
C[C@@H](C1CCCCC1)NC(=O)c1n[nH]c2c1CCCC/C/2=Cc1ccc(cc1)Cl	PC-id_58882635,SCHEMBL176477	411.967	SCTAUPJHLGHZND-DAMBIUFKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120511
CC(C1CCCCC1)NC(=O)c1c2CCCCC(=Cc3ccc(cc3)Cl)c2n[nH]1	PC-id_91096114	411.968	SCTAUPJHLGHZND-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120512
CC/C(=CC1=C(C)C(NCC1)CC(C)C)/C1=CCn2c(C=C1)c(Cl)cc2C(=C)N	SCHEMBL20645660,PC-id_137412281	412.011	UMDVQPKTWJWXSI-XMHGGMMESA-N	00000000100011000110000000000010000000000000000000000000	31-01-120513
Brc1c2-c(c(=C(C#N)C#N)c1)cc(Br)cc(=C(C#N)C#N)c2	PC-id_15472504	412.038	PAPDMOZXPBOMDW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-120514
Brc1c2-c(c(=C(C#N)C#N)c1)cc(=C(C#N)C#N)cc(Br)c2	PC-id_85778728	412.038	MSISTTDNLZRBLB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-120515
CC1=C(C=C(C=C1)NC(=O)C2=C3C=CC(NS(=O)(=O)C3=CN2C)C(C=C)O)C#N	PC-id_161740972	412.121	BDCJRLYROVCDLG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-120516
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)NC(CO3)(C)C(C#C)O)C#N	PC-id_154682087	412.121	TYTAEOFVOMPSPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120517
CC#CC[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)C)C#N	PC-id_160166722	412.121	PCMVFQOYLPWOGG-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120518
CN1C2=C(N(N=C2)C)OC[C@@H](C1=O)NC(=O)C3=NNC4=C3CC(CC4)C(F)(F)F	PC-id_148392550	412.147	LQGBLBAUQOEZQJ-LYNSQETBSA-N	00000000100010000101000000010010000000000000000000000000	31-01-120519
C/C=CC=C/C(=C)CC1=NC(=NN1)C(=O)N[C@@H]2CCC3=C(N=C(S3)C)N(C2=O)C	PC-id_155175471	412.168	VRYPKEKXXHWINM-CWKDVMAXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120520
CC(C)C[C@H]1CCC2=C(N(C=C2S(=N)(=O)N1)C)C(NC3=CC(=C(C=C3)F)F)O	PC-id_154991342	412.174	ZMXFBWDDGIRHTC-OXDJXFDLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120521
Brc1sc(Br)c2OCC(C(CCCC)C)(COc12)C	SCHEMBL14748827,PC-id_71286999	412.18	RXLSQDMJNCILTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120522
CC1=NN(C(=C1)CNC(=O)[C@@H]2CCCCC3=NN(C(=O)N23)CC4=CC(=CC=C4)F)C	PC-id_164636074	412.202	VXPXCWBTJGCVFR-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120523
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1cc(cc(c1)Br)F	SCHEMBL16100107,PC-id_86346015	412.21	XDSIIPPUFKXMLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120524
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)C(=O)NC4CC(C4)O)C2)C	PC-id_160608477	412.211	RFEQELUQHGTXDF-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-120525
CN1C(=O)N2CC[C@H](CCC2=N1)N(C)CC3=C(NN=C3)C4=CC(=C(C=C4)OC)OC	PC-id_164640580	412.222	ACZHOWKPZPROHO-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120526
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1cccc(I)c1	ZINC22_24763149,CoCoCo_4406410,PC-id_32077336,EMOLS-id_18868678,MCULE-4319831353	412.226	LYFAAZRBRCCUIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120527
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(I)cc1	MCULE-9328209210,CoCoCo_4406378,PC-id_17527995,ZINC22_12780212,EMOLS-id_16758312	412.226	LMRRCLOTPUKOSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120528
CC1=C(C=CC(=C1)C(=O)N2CC(C3=NNC(=C3C(=C2C)C(=O)NC(C)C)C)(C)C)F	PC-id_160371792	412.227	KUAZOWPVIMFNRE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-120529
CN(C)/C=C(C#N)/C(=O)c1cc2=CC(C=C(C=c2[nH]1)Br)OCC(F)F	PC-id_134449067,SCHEMBL20084739	412.229	JZMFVNVHUTWAEG-DHZHZOJOSA-N	00000000100000000110000000000010000000000000000000000000	31-01-120530
CN(C)/C=C(C#N)/C(=O)c1cc2c([nH]1)CC=C(C(=C2)OCC(F)F)Br	PC-id_134448701,SCHEMBL20084357	412.229	TWICCLSMYJPBGU-DHZHZOJOSA-N	00000000100000000110000000000010000000000000000000000000	31-01-120531
Nc1ccc2-c(cc1)c(c(c2Cl)P(=O)(c1ccccc1)c1ccccc1)Cl	PC-id_102162406	412.248	XRTUQQDWSUFGND-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-120532
CC1=NN2CCNCCCC(=O)N[C@H](C(=O)N[C@@H](C2=N1)C(C)C)CC3=CC=CC=C3	PC-id_165422145	412.259	SWTZFILFDKARNP-AZUAARDMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120533
CCOC(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl	SCHEMBL16103041,PC-id_86345751	412.267	BRACRMGIPLYLIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120534
Ic1cc(C(=O)c2sc3CCCCCc3c2)c(OC)cc1	PC-id_43463318	412.285	QOSMQSYLVLCWEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120535
Ic1c(C(=O)Nc2sc3CCCCCCc3n2)cccc1	PC-id_56022240	412.288	HJIMQIUUCXCDPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120536
Ic1c(NC(=O)c2sc3CCCCCCc3c2)nccc1	PC-id_52731328	412.288	LCCMDLRBAFFMHG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-120537
c1(NC(=O)c2ccc(Br)o2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_996548,CoCoCo_5817259,TIMTEC165672,MCULE-1760193746,SPECS-id_AK-968/12117344,PC-id_1221254,EMOLS-id_4092157	412.298	GENMGWFRKVHRSP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-120538
c1(NC(=O)c2ccc(Br)o2)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_2202149,MCULE-4540757816,ZINC22_656543,CoCoCo_907253,SPECS-id_AK-968/41925901,PC-id_1001035,TIMTEC95302	412.298	CDYPLTVAXBNAGP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-120539
Brc1oc(C(=O)NCC(=O)Nc2sc3CCCCCCc3n2)cc1	PC-id_56020822	412.301	KOYXUQOIDUFQRL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-120540
Brc1ccc(c2nnc(CSc3nnc4n3CCCCC4)o2)s1	MCULE-1438455198,EMOLS-id_45734103,PC-id_8379685,ZINC22_7281203	412.328	MZLCKBKGOCCXLR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-120541
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC161966,MCULE-4413224034,EMOLS-id_1239995,BAS-00541778,ZINC22_4427339,CoCoCo_91423,PC-id_2850434,SPECS-id_AK-968/11367425	412.33	GAIXKXQJDBMEAC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120542
c1(NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)OC	CoCoCo_6794761,TIMTEC88840,ZINC22_2749760,SPECS-id_AK-968/13410103,EMOLS-id_2439779,MCULE-8692718849,PC-id_2165741	412.33	BWQKMDNYMSJNJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120543
c1(NC(=O)c2cc(Cl)ccc2Cl)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_4092233,SPECS-id_AK-968/12264363,CoCoCo_5818367,PC-id_1743141,ZINC22_2084381,TIMTEC499889,MCULE-6948542855	412.33	VHGPXDJSMPQAFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120544
c1(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_4134788,PC-id_5080074,MCULE-8463685585,CoCoCo_5015579,EMOLS-id_5471788	412.33	GWZJPQVQUBCECT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120545
c1(NC(=O)Cc2c(cccc2Cl)Cl)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_5808605,MCULE-5120304623,EMOLS-id_4092227,TIMTEC171814,ZINC22_2730522,PC-id_5058574,SPECS-id_AK-968/41017362	412.33	GLJYBJXLBFRNKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120546
c1(NC(=O)Cc2ccc(c(Cl)c2)Cl)sc2c(CCCCC2)c1C(=O)OC	ZINC22_4651133,EMOLS-id_4092225,TIMTEC248226,MCULE-5869392496,PC-id_3480706,CoCoCo_6618696,SPECS-id_AK-968/41017336	412.33	JSSLVOXYNHDWAB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120547
CCOC(=O)c1c(sc2c1CCCCC2)/N=C/c1cc(cc(c1O)Cl)Cl	PC-id_137303981	412.33	JECAVVAIMWORKF-LSHDLFTRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120548
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_3307210	412.33	XBEVHKIIUFLWES-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120549
Clc1cc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1Cl	PC-id_4158696	412.33	XNDLREWGLOOHQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120550
Clc1c(CNC(=O)COC(=O)c2sc3CCCCCc3c2)ccc(Cl)c1	PC-id_7351956	412.33	KHUANMFBEXDLMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120551
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(Cl)ccc1	PC-id_4518898	412.33	DYPBPVULQUXBRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120552
Clc1c(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc(Cl)cc1	PC-id_4615056	412.33	MKVGERIOHCWJJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120553
Clc1c(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(Cl)ccc1	PC-id_3463912	412.33	PWYVPJMLDMEUPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120554
Clc1c(NC(=O)[C@@H](OC(=O)c2sc3CCCCCc3c2)C)c(Cl)ccc1	PC-id_8254665	412.33	ZRAJBIRCWNIUHJ-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-120555
Clc1c(NC(=O)[C@H](OC(=O)c2sc3CCCCCc3c2)C)c(Cl)ccc1	PC-id_8254669	412.33	ZRAJBIRCWNIUHJ-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120556
Clc1c(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)C)cccc1Cl	PC-id_16509375	412.33	MMTDPGQQMQPHOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120557
Clc1c(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)C)ccc(Cl)c1	PC-id_16509374	412.33	UVXVAAZABUWBMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120558
Clc1c(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)C)c(Cl)ccc1	PC-id_78644127	412.33	ZRAJBIRCWNIUHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120559
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)c(Cl)ccc1C	PC-id_16509477	412.33	ISWRJOVWSPIFPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120560
NNC(c1cc2c(s1)CCCCC2)Cc1ccc(cc1)I	PC-id_105310211	412.332	FPSZDDCCENOHKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120561
c1(NC(=O)CCC(=O)Nc2c(cccc2Cl)Cl)sc2c(CCCCC2)n1	EMOLS-id_335023944,MCULE-1325438414	412.333	BHQIXVUPIBNDBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120562
c1(NC(=O)CCC(=O)Nc2ccc(cc2Cl)Cl)sc2c(CCCCC2)n1	EMOLS-id_335078968,MCULE-2574863194	412.333	QYOWKBZZHSSPAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120563
c1(NC(=O)CCC(=O)Nc2ccc(c(Cl)c2)Cl)sc2c(CCCCC2)n1	EMOLS-id_335050809,MCULE-9253804055	412.333	KSSHWZZNGIKKSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120564
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccccc1)C(=O)NC(=O)OCC	PC-id_78495732	412.502	QSZQUHCHVPOUCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120756
c1(NC(=O)CCC(=O)Nc2cc(cc(Cl)c2)Cl)sc2c(CCCCC2)n1	EMOLS-id_335057460,MCULE-4412045686	412.333	OQRJSAIRKPDYBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120565
c1(NC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)sc2c(CCCCC2)n1	EMOLS-id_335067184,MCULE-9945638667	412.333	MWPUPAVWSLRYDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120566
c1(NC(=O)CCC(=O)Nc2c(Cl)ccc(Cl)c2)sc2c(CCCCC2)n1	MCULE-6181072582,EMOLS-id_335072316	412.333	OWVAJHASDVVUFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120567
c1(NC(=O)Nc2ccc(c(Cl)c2)Cl)sc2c(CCCCCC2)c1C(=O)N	MCULE-6661248856,EMOLS-id_2369168,PC-id_1359025,ZINC22_1200819,TIMTEC94604,CoCoCo_684669	412.333	CDDSZJURVQWOCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120568
O=S(=O)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCn2c(C1)ccc2	PC-id_143775170	412.35	VYUNGWSVYPSGMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120569
CCNC(=NCc1cc(c(n1C)Cl)Cl)NCCc1nnc2n1CCCCC2	PC-id_109767905	412.36	QRISTIVOZQFMMQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-120570
CN=C(NCc1cc(c(n1C)Cl)Cl)NCCCc1nnc2n1CCCCC2	PC-id_109766957	412.36	NYJHOPBHHJFPGE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-120571
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cc([N+](=O)[O-])cc(OC)c1	PC-id_19523666	412.363	LWYNTIUWHMNFNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120572
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c([N+](=O)[O-])cc(OC)cc1	PC-id_19527327	412.363	DKHHAQBADBDWEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120573
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(OC)cc([N+](=O)[O-])cc1	PC-id_19523653	412.363	OCJOJKNTYLHDPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120574
O=C1C(COc2c(N1C)cnn2C)NC(=O)c1n[nH]c2c1CC(CC2)C(F)(F)F	SCHEMBL19658577	412.366	LQGBLBAUQOEZQJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-120575
O=C1C(COc2c(N1C)cnn2C)NC(=O)c1n[nH]c2c1C[C@H](CC2)C(F)(F)F	SCHEMBL19658572	412.366	LQGBLBAUQOEZQJ-YMNIQAILSA-N	00000000100010000101000000010010000000000000000000000000	31-01-120576
O=C1[C@H](COc2c(N1C)cnn2C)NC(=O)c1n[nH]c2c1C[C@H](CC2)C(F)(F)F	SCHEMBL18372665	412.366	LQGBLBAUQOEZQJ-KWQFWETISA-N	00000000100010000101000000010010000000000000000000000000	31-01-120577
Fc1ccc(F)c(c1)C(=O)N1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	CoCoCo_1189048,MCULE-6864489938,ZINC22_11980340,PC-id_42330465,EMOLS-id_20441727	412.393	IJFVVWUYOTWHIE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-120578
OCC1CC(O)CC(O1)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)P)P	PC-id_144227054	412.398	UMAHBIZPOCWMFA-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-120579
c1(NC(=O)C(C)Oc2c(F)c(F)cc(F)c2F)sc2c(CCCCC2)c1C#N	MCULE-2304782041,PC-id_19577522,EMOLS-id_8835098	412.401	UGKXRGTWASBOGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120580
C[C@H](Oc1c(F)c(F)cc(F)c1F)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_5818606,PC-id_40434899,ZINC22_2743059	412.401	UGKXRGTWASBOGA-VIFPVBQESA-N	00000000100000110100000000000010000000000000000000000000	31-01-120581
C[C@@H](Oc1c(F)c(F)cc(F)c1F)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_40434900,CoCoCo_5818607,ZINC22_2743060	412.401	UGKXRGTWASBOGA-SECBINFHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120582
s1c2CCCCCc2c(c1NC(=O)c1cc(OC(F)(F)C(F)F)ccc1)C#N	PC-id_613456	412.401	HRBVMBSGYITYQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120583
FC(F)(F)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(OCCC)cc1	PC-id_55560613	412.406	MUKFKZPDZJEDKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120584
FC(F)(F)c1c(OCC(NC(=O)Cn2nc3n(CCCCC3)c2=O)C)cccc1	PC-id_56039562	412.406	PHNTZIMTSPGLFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120585
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(nn(c1)CC)C(=O)NC	PC-id_19523831	412.409	UUQNDXOYYHVYBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120586
N#Cc1[n-]c2c(c1)C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(c(c1)F)F	GD-id_ZINC45245665	412.409	BKACFZPGWDPWPO-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-120587
c1(c(C)noc1C)C(=O)N1CCn2c(CC1)nnc2CNC(=O)c1cccc(F)c1	MCULE-1994455115,ZINC22_12048753,PC-id_42376382,EMOLS-id_232756200	412.418	NPNIFUSZHWFUGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120588
Cn1c(c2CCCN(C(n2c1=O)C(=O)NO)S(=O)(=O)c1ccc(cc1)OC)O	PC-id_90889715	412.418	AWFWMKYAEXOGKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120589
O=C1[C@H](COc2c(N1C)cnn2C)NC(=O)c1ccn(n1)Cc1ccc(c(c1)C)F	SCHEMBL19659457	412.418	LVIGUJRCXUGCMQ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120590
c1(c2CCCCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1ccccc1OC	BAS-00832131,PC-id_2256643,EMOLS-id_1280390,ZINC22_2915376,MCULE-9136562804,CoCoCo_138071	412.426	CRTDMQMSMCZCBE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120591
c1(c2CCCCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1)OC	MCULE-4709578518,PC-id_1268400,CHEMBL1438725,CoCoCo_1731158,ChEMBL-DNDi_CHEMBL3261-0794,ZINC22_1081677,EMOLS-id_8301663	412.426	WVBABUTYBTWKQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120592
CC(=O)Nc1c(c2c(s1)CCCCC2)C(=O)Nc1ccccc1OC(F)(F)F	PC-id_137641611	412.426	UPMQCHLGPVDPOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120593
FC(Oc1ccc(cc1F)NC(=O)C(=O)NCc1cc2c(s1)CCCCC2)F	GD-id_ZINC51809450	412.426	JUZWAOBJIDUWOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120594
Oc1ccc(cc1)NC(=O)c1c(sc2c1CCCCCC2)NC(=O)C(F)(F)F	PC-id_143219600	412.426	XABJRYQFXUIFKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120595
O=C(c1cccc(c1)C(F)(F)F)/N=c/1sc2c(n1C(C(=O)O)C)CCCCC2	PC-id_71537304,SCHEMBL14807909	412.426	VKLBKFYNAIQPOD-NKFKGCMQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120596
s1c2c(CCCCC2)c(c1NC(=O)c1c(nc(cc1)C(F)(F)F)C)C(=O)OC	PC-id_52638575	412.426	NHLDOIIKDFOAJW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-120597
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(OC(F)(F)F)cc1)C(=O)N	PC-id_55755286	412.426	MIJFKYYDKFSPPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120598
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)F)C(=O)Nc1cc(OC)ccc1	PC-id_76329427	412.426	WZRGRYDCASQCNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120599
s1c2c(CCCCC2)c(c1NC(=O)COc1c(cccc1)C(F)(F)F)C(=O)N	PC-id_55605002	412.426	PHKPQZSYCFABSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120600
s1c2c(CCCCC2)c(c1NC(=O)COc1cc(ccc1)C(F)(F)F)C(=O)N	PC-id_60387992	412.426	CJNJOCCJNOORFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120601
CCNC(=NCc1ccc(cc1C(F)(F)F)F)NCc1nnc2n1CCCCC2	PC-id_111889613	412.428	NZMMLAGXVPHIRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120602
CN=C(NCc1ccc(cc1C(F)(F)F)F)NCCc1nnc2n1CCCCC2	PC-id_111889667	412.428	XIFQHNBMWKVFQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120603
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)c(O)cc1O	PC-id_72423607	412.432	NEFLOPZZIIEFOT-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-120604
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)c(O)cc1O	PC-id_58786113,SCHEMBL14590150	412.432	NEFLOPZZIIEFOT-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-120605
O1[C@](O)([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O	PC-id_68740833,SCHEMBL3676247	412.432	LNGWSKNNOCWMEP-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-120606
O1C(O)(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O	PC-id_77547424	412.432	LNGWSKNNOCWMEP-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-120607
OC[C@H]1O[C@@](O)([C@@H]([C@H]([C@@H]1O)O)O)c1cc(ccc1O)Cc1cc2-c(c1)ccccc2	PC-id_140605136	412.432	LNGWSKNNOCWMEP-XNBWIAOKSA-N	00000010100010110110100000000010000000000000000000000000	31-01-120608
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3c(cccc3F)F)CCn12	MCULE-6503716215,PC-id_45203769,EMOLS-id_20545049	412.436	DKAMZZGTLSLPJV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-120609
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3cccnc3)CCn12	PC-id_45179947,MCULE-2887114460,EMOLS-id_20441081	412.436	BHCIYRONLKGULN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-120610
C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2	CoCoCo_1336311,CoCoCo_1336310,ZINC22_20992267	412.436	DKAMZZGTLSLPJV-CQSZACIVSA-N	00000000100000111101000000000010000000000000000000000000	31-01-120611
C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2	CoCoCo_1336312,CoCoCo_1336313,ZINC22_20992271	412.436	DKAMZZGTLSLPJV-AWEZNQCLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-120612
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cccnc1)CC2	CoCoCo_1188151,ZINC22_11791093,PC-id_42171876,CoCoCo_1188152	412.436	BHCIYRONLKGULN-AWEZNQCLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-120613
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cccnc1)CC2	ZINC22_11791092,CoCoCo_1188150,CoCoCo_1188149,PC-id_42171874	412.436	BHCIYRONLKGULN-CQSZACIVSA-N	00000000100000111101000000000010000000000000000000000000	31-01-120614
Fc1cccc(F)c1CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1	EMOLS-id_232711669,MCULE-7507159046,PC-id_28393157,ZINC22_19839295	412.436	PABOHDVZXMWDNG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-120615
Fc1c(CN2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)ccc(F)c1	PC-id_45165617	412.436	ZXGQHOHKZADWRE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-120616
O=C(c1n(C)cc2c1OC[C@H](NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1)N)F	SCHEMBL21337100,PC-id_139471104	412.436	WMYLJCNCMYXZBZ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120617
N#Cc1c(NC(=O)Cn2nc(c3ccc(F)cc3)oc2=O)sc2c1CCCCC2	PC-id_41490049,MCULE-1361502969,EMOLS-id_31349694,ZINC22_10423008	412.437	WNUKETBSBFLTNN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120618
C1CCc2nnc(n2CC1)/C(=C(/CSc1nnc(o1)c1ccccc1F)O)/C#N	PC-id_135779756	412.441	RTGPIFIDTAAWAS-SQFISAMPSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120619
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1oc(nn1)c1c(F)cccc1	PC-id_78701032	412.441	FKLQAQHCBUZBCP-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-120620
O=C(N1CC(CCC1)C(=O)Nc1ncc(cc1)C)Cn1nc2n(CCCCC2)c1=O	PC-id_55809679	412.485	GKOUJABQZKHBNV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-120716
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1oc(nn1)c1c(F)cccc1	PC-id_8451627	412.441	FKLQAQHCBUZBCP-LGMDPLHJSA-N	00000011100000110111100000000010000000000000000000000000	31-01-120621
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncc2c(n1)C1(CCCOC1)OC2	SCHEMBL18366943	412.442	STEGLXQDNHTCRE-PVCZSOGJSA-N	00000010100010100101000000000010000000000000000000000000	31-01-120622
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncc2c(n1)C1(CCOCC1)OC2	SCHEMBL18366862	412.442	ZOUMVUYCQGWRLK-AWEZNQCLSA-N	00000010100010100101000000000010000000000000000000000000	31-01-120623
OC(=O)[C@H](CNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C(=N)N)C	PC-id_141815003	412.442	XLMJVLPRVAWINQ-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120624
Fc1c(cc(C2OC(C(O)C(O)C2O)CO)cc1)C(c1cc2-c(c1)ccccc2)C	PC-id_78005684	412.451	SXEKGIIQTSKLCM-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-120625
Fc1c(cc([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc1)C(c1cc2-c(c1)ccccc2)C	SCHEMBL14153196,PC-id_71088126	412.451	SXEKGIIQTSKLCM-JZKBLIEKSA-N	00000010100010110110100000000010000000000000000000000000	31-01-120626
FC(c1cc(C2OC(C(O)C(O)C2O)CO)ccc1C)c1cc2-c(c1)ccccc2	PC-id_77444958	412.451	HHQRIGWSJCAFIC-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-120627
FC(c1cc([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)ccc1C)c1cc2-c(c1)ccccc2	SCHEMBL12439552,PC-id_68264502	412.451	HHQRIGWSJCAFIC-PZMMHDCHSA-N	00000010100010110110100000000010000000000000000000000000	31-01-120628
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1	PC-id_57005841	412.452	PPZHGDKBUOSSIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120629
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(F)ccc(F)c2)cc1	PC-id_57273782	412.452	FVRHDWHZXKCBAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120630
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(F)cc(F)cc2)cc1	PC-id_57095895	412.452	YWDCBIJMDAQAPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120631
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(F)c(F)ccc2)cc1	PC-id_57306077	412.452	ZQCKHZFOVNYTSX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120632
CC(C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)F)C)C	SCHEMBL18353527	412.454	XWFFDCPIEKUOLY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-120633
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccc(F)cc1F	MCULE-5230129658,EMOLS-id_97041993	412.454	FSNHNUOSDMRFTQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-120634
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1cc(F)cc(F)c1	MCULE-5137820225,EMOLS-id_97042042	412.454	SJTFSUBGRUVGKJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-120635
S(c1n2CCCCCc2nn1)CC(=O)NCc1cc(OC)c(OC(F)F)cc1	PC-id_8379506	412.454	XTHZRXACGLRPMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120636
Fc1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(F)cc3)CC2)cc1	PC-id_42325977	412.456	DSTXAWMPDNBBIA-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-120637
N#C/C(=Cc1ccc(o1)c1ccc(cc1)SC(F)F)/c1nnc2n1CCCCC2	CoCoCo_3735061,PC-id_6011447	412.456	QNLPWPNCDDAMSL-NTCAYCPXSA-N	00000000101000110101100000000010000000000000000000000000	31-01-120638
N#CC(=Cc1ccc(o1)c1ccc(cc1)SC(F)F)c1nnc2n1CCCCC2	MCULE-4173133498,PC-id_4106577,EMOLS-id_26168566	412.456	QNLPWPNCDDAMSL-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-120639
N#C/C(=C/c1ccc(o1)c1ccc(cc1)SC(F)F)/c1nnc2n1CCCCC2	PC-id_75459361,CoCoCo_3735062	412.456	QNLPWPNCDDAMSL-QINSGFPZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-120640
C#Cc1sc(c2c1OCC(CO2)(C(=O)c1ccccc1)C(=O)c1ccccc1)C#C	PC-id_102259379	412.457	WHJJLVZIQKJPEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120641
COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	EMOLS-id_43718610,PC-id_4158332,ZINC22_6383797,MCULE-8810732549	412.459	DUDJYZCLONFMKH-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-120642
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc2c(C(=O)N(C2=O)C)cc1	PC-id_32790936	412.459	SSTSNRKIPFWMPP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-120643
s1c2c(CCCCC2)c(c1NC(=O)c1cc2c(C(=O)N(C2=O)C)cc1)C(=O)OC	PC-id_55762800	412.459	KVDBLHJDVRBASM-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-120644
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1)cccc2)C(=O)NC(=O)OC	PC-id_8718371	412.459	DZXYILYYIZNCQU-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-120645
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)C#N)C(=O)OC	PC-id_4532674	412.459	YEPLJEGDTPXZEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120646
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc(ccc1)C#N)C(=O)OC	PC-id_8491175	412.459	GTIKRQJITQXLLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120647
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(cc1)C(=O)OC)C#N	PC-id_41089108	412.459	HRCJHDMDNNWNLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120648
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(cccc1)C(=O)OC)C#N	PC-id_56506016	412.459	APYHXHDIDBJEFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120649
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1ccc(cc1)C=O)C#N	PC-id_4435562	412.459	RPPWHMFFXJWOEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120650
Cc1cc(CNC(=O)C2CCCCc3nn(Cc4cccc(F)c4)c(=O)n23)n(C)n1	MCULE-4144306959,EMOLS-id_207869743	412.461	VXPXCWBTJGCVFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120651
Fc1cc(c2nc(on2)CCC(=O)NCCc2n3CCCCCc3nn2)ccc1C	PC-id_55928815	412.461	KNYAISMDXRWXMV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120652
Fc1ccc(c2nc(on2)CCCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55690446	412.461	IHEWISMTKSAHCX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120653
Fc1ccc(cc1)c1noc(n1)CCCC(=O)N(Cc1nnc2n1CCCCC2)C	GD-id_ZINC42955472	412.461	IPWXXQJWZUVHBG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120654
Fc1ccc(CN2N=C(CCC2=O)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55911115	412.461	YPGOIUXMNUGTMH-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-120655
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)c2cc(C)on2)c1	PC-id_97442421,EMOLS-id_44303762,ZINC22_96146897	412.462	VMYMQYZUVQMDLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120656
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1occc1)C)C#N	PC-id_46583479	412.462	UXCUESFWGLDZMG-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-120657
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(NC(=O)N)cc1)C#N	PC-id_2527273	412.462	PAPGXDUYVLOCJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120658
c1(cn2c(CCN(CC2)S(=O)(=O)N(C)C)n1)C(=O)N1CCN2C(COC2=O)C1	MCULE-3128529530,EMOLS-id_331105811	412.464	IJWKMBPPZGEETI-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-120659
CN(C)S(=O)(=O)N1CCc2nc(C(=O)N3CCN4C(=O)OC[C@H]4C3)cn2CC1	ZINC22_1875244012	412.464	IJWKMBPPZGEETI-GFCCVEGCSA-N	00000010100010000101000000000110000000000000000000000000	31-01-120660
CN(C)S(=O)(=O)N1CCc2nc(C(=O)N3CCN4C(=O)OC[C@@H]4C3)cn2CC1	ZINC22_1875244013	412.464	IJWKMBPPZGEETI-LBPRGKRZSA-N	00000010100010000101000000000110000000000000000000000000	31-01-120661
Cn1c(=O)c2c(ncn2CC(=O)Nc2sc3c(c2C#N)CCCCC3)n(C)c1=O	PC-id_26921572,MCULE-7792733744,CoCoCo_3268397,ZINC22_16056226,EMOLS-id_43827654	412.465	YBDWADQBRDIRDO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120662
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)c1n[nH]c2CCCCCc12	EMOLS-id_335092401,MCULE-4493595866	412.465	FIDYVGACEOTXFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120663
s1c2CCCCCCc2nc1NC(=O)c1nnn(c1C)c1cc([N+](=O)[O-])ccc1	PC-id_56022622	412.465	NEJFCFQPBBQBOP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120664
s1c(NC(=O)c2ccc(NC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)ncc1	PC-id_55669498	412.465	SWTVVOFRBAUQOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120665
S=c1n2CCCCCc2nn1CN1CCN(CC1)c1ncc(cc1)C(F)(F)F	PC-id_8260273	412.476	VTQYYLPRESLKDM-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-120666
C1C(COc2cscc2O1)(COCCCS(=O)(=O)O)C(=O)c1ccccc1	SCHEMBL14494058,PC-id_89351964	412.477	KAYQLUULNYIURC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120667
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)/C=C/c1c(F)cccc1)C)C#N	PC-id_8973995	412.477	QFZWVZOCISFHCH-GETOMWPZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120668
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)/C=C/c1c(F)cccc1)C)C#N	PC-id_8974012	412.477	QFZWVZOCISFHCH-GCZGRYASSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120669
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=Cc1c(F)cccc1)C)C#N	PC-id_84887222	412.477	QFZWVZOCISFHCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120670
c12C(=O)N(CCCn1nc(C(=O)NCCc1cccs1)c2)Cc1ccc(cc1)F	PC-id_50797940,MCULE-9387929507,EMOLS-id_32846254	412.48	CKGASDMMNOIFCY-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120671
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)ccc(=O)cc2	SCHEMBL9335305,PC-id_19102872	412.48	UVBAJIPLMCNJSB-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-120672
CCCCc1nc2c(n1Cc1ccc(c(c1)C(=O)O)c1ccccc1)c(=O)cccc2	SCHEMBL7437820,PC-id_20077157	412.48	FOJUBAFVZZLVHF-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-120673
CO[C@H]1CN([C@H](Cc2c1ccs2)C(=O)NO)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966499	412.48	FUUIBTJKMVMLIC-CABCVRRESA-N	00000000100000110100000000000010000000000000000000000000	31-01-120674
Fc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCCc1cccs1	EMOLS-id_32633052,PC-id_53029182,MCULE-2495949676	412.48	ONIWEHRYAHQPCZ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120675
OC[C@@H]1c2ccsc2CCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966462	412.48	ITDGSBOVPUEXOD-GDBMZVCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120676
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(n(nc1)c1c(F)cccc1)C	PC-id_43050014	412.48	ZPFQEFZUSMCXCA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120677
S(=O)(=O)(N1[C@@H](Cc2sccc2[C@H](OC)C1)C(=O)NO)c1ccc(OC)cc1	PC-id_53819597	412.48	FUUIBTJKMVMLIC-LSDHHAIUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120678
CCN(C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)CCC1CCCCc2n1c(=O)on2	PC-id_59923015,SCHEMBL6794691	412.481	DDXJXIPFVRSQIL-KZUDCZAMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120679
o1nc2n(C(CCCC2)CCN(CC(NC(=O)OC(C)(C)C)C(=O)O)CC)c1=O	PC-id_23500574	412.481	DDXJXIPFVRSQIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120680
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CO)C(=O)NO)c1ccc(OC)cc1	PC-id_53934057	412.481	ITDGSBOVPUEXOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120681
S(=O)(=O)(N1C(Cc2sccc2C(OC)C1)C(=O)NO)c1ccc(OC)cc1	PC-id_53819598	412.481	FUUIBTJKMVMLIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120682
S(=O)(=O)(N1[C@H]([C@H](c2c(scc2)CC1)CO)C(=O)NO)c1ccc(OC)cc1	PC-id_53934056	412.481	ITDGSBOVPUEXOD-GOEBONIOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120683
c1(C(=O)N2CCOCC2)cc2n(CCCN(C(=O)C(C)(C)Oc3ccccc3)C2)n1	PC-id_50972883,MCULE-7897519852,EMOLS-id_32414954,ZINC22_65453680	412.482	QWLVMFLTVRNWNT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120684
CC(=O)c1cc(c2-c1ccccc2)C(=C1C=Nc2c1cccc2)c1c[nH]c2c1cccc2	PC-id_101220278	412.482	GMZCODCUYOBFGC-UHFFFAOYSA-N	00000011100000100110000001101010000000000000000000000000	31-01-120685
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCN(CC1)C(=O)c1ccco1)cc2	PC-id_20085243,SCHEMBL6989225	412.482	AGHGHRJIUQGHQP-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-120686
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)CC2(OC)CCC2)CCC3)cc1	EMOLS-id_313762505,ZINC22_1565556238	412.482	QKHDWNJYCLXNQC-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-120687
O=C1N(CCCn2nc(cc12)C(=O)N(C(CC)C)CCC(=O)O)Cc1ccccc1	PC-id_42854013	412.482	AFMCJBIRVIXPTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120688
O=C1N(CCCn2nc(cc12)C(=O)N(CC(C)C)CCC(=O)O)Cc1ccccc1	PC-id_46049197	412.482	JZWZWAVWGWGYJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120689
O=C(N1CCN(CC1)CCCCn1c2c(cc1)C(=O)N(CCC2=O)C)c1occc1	PC-id_22011285	412.482	FKBSUUTYCKLFCD-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-120690
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(CCn12)C(=O)C1CCOC1	PC-id_45166451,EMOLS-id_232731554,MCULE-3690570639,ChEMBL-DNDi_CHEMBL32267109	412.485	UTKWJCKOENPOFY-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-120691
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)[C@@H]1CCOC1)CC2	ZINC22_12020023	412.485	UTKWJCKOENPOFY-CRAIPNDOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-120692
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)[C@@H]1CCOC1)CC2	ZINC22_12020028	412.485	UTKWJCKOENPOFY-QAPCUYQASA-N	00000010100000101101000000000010000000000000000000000000	31-01-120693
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)[C@H]1CCOC1)CC2	ZINC22_12020033	412.485	UTKWJCKOENPOFY-MAUKXSAKSA-N	00000010100000101101000000000010000000000000000000000000	31-01-120694
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)[C@H]1CCOC1)CC2	ZINC22_12020039	412.485	UTKWJCKOENPOFY-YJBOKZPZSA-N	00000010100000101101000000000010000000000000000000000000	31-01-120695
CCOc1ccccc1CN1CCc2n(CC1)c(nn2)CNC(=O)C1CCC(=O)N1	ChEMBL-DNDi_CHEMBL37664740	412.485	VPEIIVHZKZRLQR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120696
CCOc1ccc(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)cc1	PC-id_45242664,EMOLS-id_20708603,MCULE-2050915968	412.485	CETUZPWQRFVZBW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120697
CCOc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)cc1	CoCoCo_1583425,ZINC22_14990318,CoCoCo_1583426	412.485	CETUZPWQRFVZBW-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120698
CCOc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1	ZINC22_14990320,CoCoCo_1583428,CoCoCo_1583427	412.485	CETUZPWQRFVZBW-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120699
COc1ccc(cc1OC)c1n[nH]cc1CN(C)C1CCc2nn(C)c(=O)n2CC1	EMOLS-id_96055623,MCULE-9764998129	412.485	ACZHOWKPZPROHO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120700
COc1ccc(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)cc1C	MCULE-6824030356,PC-id_45169099,EMOLS-id_20394254	412.485	SWPSMNMELGKVBP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120701
COc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)cc1C	CoCoCo_1124173,ZINC22_23128937,CoCoCo_1124172	412.485	SWPSMNMELGKVBP-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120702
COc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1C	CoCoCo_1124175,CoCoCo_1124174,ZINC22_23128938	412.485	SWPSMNMELGKVBP-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120703
COc1ccc(OC)c(c1)c1n[nH]cc1CN(C)C1CCc2nn(C)c(=O)n2CC1	MCULE-4895110431,EMOLS-id_97041654	412.485	QLRBVABVMFGSOR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120704
COC[C@@H](n1c(CCCC(=O)N2CCc3c(CC2)[nH][nH]c3=O)nc2c1nccc2)C	PC-id_96404064	412.485	PIURPGLNJHHCDB-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120705
COC[C@H](n1c(CCCC(=O)N2CCc3c(CC2)[nH][nH]c3=O)nc2c1nccc2)C	PC-id_96404065	412.485	PIURPGLNJHHCDB-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120706
COCC(n1c(CCCC(=O)N2CCc3c(CC2)[nH][nH]c3=O)nc2c1nccc2)C	MCULE-2643238140,PC-id_70770972,EMOLS-id_43595285	412.485	PIURPGLNJHHCDB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120707
COCCn1nc2n(c1=O)CCC(CC2)CC(=O)NCCc1nc2c([nH]1)cccc2	MCULE-8024648237,EMOLS-id_207877400	412.485	GQUASPXRXURHFW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120708
COC(=O)c1ccc(NC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	MCULE-8610210358,PC-id_47039908,EMOLS-id_31974678,ZINC22_48008640	412.485	YCEAPCFPPBEZAO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120709
O=c1n2CCCCCc2nn1CC(=O)N1CCN(CC1)C(=O)Nc1cc(ccc1)C	PC-id_56510071	412.485	KZDMVRPQBJDSMB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120710
O=c1n2CCCCCc2nn1CC(=O)Nc1n(CCCOCC)c2c(n1)cccc2	PC-id_56496890	412.485	UEHZALLNHWXGIZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120711
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(NC(=O)N2CCCC2)ccc1	PC-id_56038440	412.485	LJHMBPYQNBBLAS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120712
O=c1n2CCCCCc2nn1CC(=O)NCC(=O)N1CCN(CC1)c1ccccc1	PC-id_56170936	412.485	RXMOPVIJXFGQRB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120713
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCCN(C)C)Cc1ccccc1	PC-id_46049588	412.485	JCZDIEXCKFPAHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120714
O=C1NC(NC(C1)CC)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_76261653	412.485	ZKXISNWYGLKJHK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120715
O=C(N1CCC(CC1)C(=O)Nc1ncc(cc1)C)Cn1nc2n(CCCCC2)c1=O	PC-id_55809695	412.485	BGGNLTXYHJPUBD-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-120717
O=C(N1CC(CCC1)C(=O)Nc1ncccc1C)Cn1nc2n(CCCCC2)c1=O	PC-id_55895544	412.485	TYXKXAFULJDOKH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-120718
O=C(N1CCC(CC1)C(=O)Nc1nccc(c1)C)Cn1nc2n(CCCCC2)c1=O	PC-id_55931763	412.485	ICLMHEOLRQUNEV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-120719
O=C(N1CC(CCC1)C(=O)Nc1nc(ccc1)C)Cn1nc2n(CCCCC2)c1=O	PC-id_56029939	412.485	HFEZKVCEQQDXBH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-120720
O=C(N1CCC(NC(=O)Nc2ccccc2)CC1)Cn1nc2n(CCCCC2)c1=O	PC-id_56021007	412.485	RMHUCIFAYWOAHX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120721
O=C(N1CCN(CC1)C(=O)c1ccc(O)cc1)NCCc1n2CCCCCc2nn1	PC-id_52216002	412.485	ZJGJFCCMVLZXBA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120722
O=C(N)C1CCN(CC1)c1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56274486	412.485	GWDVHSPVNPRCSK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120723
O=C(N)C1CCN(CC1)c1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_56275223	412.485	YEJYZSQMSSVUEI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120724
O=C(N)C1N(CCC1)Cc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56057504	412.485	QJCLFFWLOXKJAF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120725
O=C(N)C1N(CCC1)Cc1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_56491945	412.485	WIHQPOLDGIBCRG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120726
O=C(NCc1n2CCCCCc2nn1)c1cc([N+](=O)[O-])c(N2CC(CCC2)C)cc1	PC-id_24626045	412.485	HKDFNZGCOXELFC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120727
O=C(NCc1n2CCCCCc2nn1)c1cc([N+](=O)[O-])c(N2CCC(CC2)C)cc1	PC-id_24676655	412.485	AZDUMAREMLWCHV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120728
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)c1cc(ccc1)C(F)(F)F	PC-id_8204911	412.496	QHKONGADBPVUOX-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-120729
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCCCC1)c2)Cc1ccc(cc1)F	PC-id_20964744,CoCoCo_2544574,MCULE-7915707621,EMOLS-id_16324700	412.5	GDTPSCIHZSBHHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120730
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCCCC1)c2)Cc1cccc(F)c1	MCULE-4276877338,EMOLS-id_32632922,PC-id_53086355	412.5	JRFLJMNTRSILFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120731
c1(CN(C)C(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)c2CCCCCc2[nH]n1	PC-id_56715379,EMOLS-id_36451017,MCULE-2395143272	412.5	KFTOGHVDDLSSAN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120732
CCn1ccc2c1C(=O)CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)F	PC-id_11795953,SCHEMBL6780627	412.5	HUPXKHMXOAFDEK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120733
CCn1ccc2c1C(=O)N(CCCN1CCN(CC1)c1ccc(cc1)F)CCC2=O	PC-id_10764166,SCHEMBL6993564	412.5	BUKYTSYCLMBECV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120734
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1	PC-id_92431416,ZINC22_12306080	412.5	KFTOGHVDDLSSAN-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120735
CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1	ZINC22_12306078,PC-id_92431415	412.5	KFTOGHVDDLSSAN-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120736
Fc1ccc(cc1)N1CCN(CC1)CCCCn1ccc2c1C(=O)N(C)CCC2=O	PC-id_10764167,SCHEMBL6987227	412.5	FSXLSRBPRCWPKR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120737
Fc1ccc(cc1)N1CCN(CC1)CCCCN1CCC(=O)c2c(C1=O)ccn2C	PC-id_10525735,SCHEMBL6779855	412.5	UBROWVJXCRCRKY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120738
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)c(C)cn2C	PC-id_12044320,SCHEMBL6657421	412.5	DMHFHYGCLVRTRD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120739
Fc1ccc(N2CCN(CC2)CCCCN2CCC(=O)c3c(n(cc3)C)C2=O)cc1	PC-id_10669371	412.5	ZQNHUORVGPEAPT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120740
O=C(C1CCCCc2n1c(=O)n(n2)Cc1cccc(c1)F)NCCC1=CCCCC1	MCULE-6253128121,EMOLS-id_207869764	412.5	DGECCAAVAADFLC-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-120741
CCOC(=O)c1c(N=N/C(=C(c2ccccc2)/O)/C(=O)C)sc2c1CCCCC2	PC-id_145974136	412.502	JKLXZMFGFOZAMR-GHQCRTPLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120742
COc1ccccc1CCC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_9110215,EMOLS-id_43789803,CoCoCo_3136604,ZINC22_7981844,MCULE-1077847579	412.502	OOXZIECKGRPFCD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120743
s1c2CCCCCc2cc1C(=O)NN=Cc1cc(OC)c(OC(=O)C2CC2)cc1	PC-id_78620881	412.502	QEVABZVNASKMGF-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-120744
s1c2CCCCCc2cc1C(=O)NNC(=O)c1oc2c(c1COCC)cccc2	PC-id_9092550	412.502	HKWRQZYLJKNYNP-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-120745
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)c1noc(c1)C)C	PC-id_7352143	412.502	RPJPNICZCHGXSH-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-120746
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(N2CCCC2=O)cc1	PC-id_8216222	412.502	JRQCAVVSNYDGCM-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-120747
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(C(=O)NC2CC2)ccc1	PC-id_24565324	412.502	HBSISNCNHGRZJT-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-120748
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(N2CCCC2=O)ccc1	PC-id_24565323	412.502	ACRDZCXVSCOVHY-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-120749
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(C(=O)NC2CC2)cccc1	PC-id_7650137	412.502	GGTIFSJHAGGISJ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-120750
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(N2CCCC2=O)cccc1	PC-id_24565322	412.502	VUVOJWAJJILKAK-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-120751
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)OC	PC-id_52638642	412.502	QLTCYHSUDFFGPN-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-120752
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(cc1)C(=O)NC)C(=O)OC	PC-id_52638655	412.502	YEVGBMIBDNFODY-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120753
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(cc1)C(=O)NC)C(=O)OC	PC-id_75889211	412.502	YEVGBMIBDNFODY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120754
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccccc1)C(=O)NC(=O)OCC	PC-id_7521919	412.502	QSZQUHCHVPOUCX-BUHFOSPRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120755
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(NC(=O)C)cc1)C(=O)OC	PC-id_52638649	412.502	HWYSUYSTHJLKOW-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120757
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(NC(=O)C)cc1)C(=O)OC	PC-id_75889209	412.502	HWYSUYSTHJLKOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120758
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1cc(ccc1)COC)C)C#N	PC-id_8998672	412.502	ZUUKEOPWRRELLO-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120759
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1cc(ccc1)COC)C)C#N	PC-id_8998673	412.502	ZUUKEOPWRRELLO-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120760
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1cc(OC)c(cc1)C)C)C#N	PC-id_8283112	412.502	RNJWNKQLGKAYTN-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120761
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1cc(OC)c(cc1)C)C)C#N	PC-id_8283121	412.502	RNJWNKQLGKAYTN-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120762
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1c(OC)ccc(c1)C)C)C#N	PC-id_9000268	412.502	LALDXSQZDHLNQP-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120763
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1c(OC)ccc(c1)C)C)C#N	PC-id_9000273	412.502	LALDXSQZDHLNQP-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120764
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)Cc1c(OC)cccc1)C)C#N	PC-id_8886391	412.502	RSFDYJOIPCKSSI-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120765
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)Cc1c(OC)cccc1)C)C#N	PC-id_8886401	412.502	RSFDYJOIPCKSSI-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120766
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)CCOc1ccccc1)C)C#N	PC-id_8252572	412.502	DTDBHBMHCZUKAG-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120767
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)CCOc1ccccc1)C)C#N	PC-id_8252574	412.502	DTDBHBMHCZUKAG-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120768
s1c2CCCCCc2c(c1NC(=O)COc1ccc(cc1)C(=O)OC(C)C)C#N	PC-id_40017768	412.502	WDKPZRADRNFVBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120769
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(ccc1)COC)C)C#N	PC-id_84896845	412.502	ZUUKEOPWRRELLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120770
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(OC)c(cc1)C)C)C#N	PC-id_78653243	412.502	RNJWNKQLGKAYTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120771
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(OC)ccc(c1)C)C)C#N	PC-id_55422940	412.502	LALDXSQZDHLNQP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120772
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(OCC)cccc1)C)C#N	PC-id_55417677	412.502	XLOHIEHZAVOURL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120773
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cc1c(OC)cccc1)C)C#N	PC-id_84864479	412.502	RSFDYJOIPCKSSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120774
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCc1ccc(OC)cc1)C#N	PC-id_24384077	412.502	OYUOGXPCEUETSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120775
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCCOc1ccccc1)C#N	PC-id_4023298	412.502	WGESCARWKLJLNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120776
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCOc1ccc(cc1)C)C#N	PC-id_29155207	412.502	PZNNJXOSBWQESY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120777
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCOc1c(cccc1)C)C#N	PC-id_35687797	412.502	SIEZCORDUBCSAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120778
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCOc1ccccc1)C)C#N	PC-id_78643442	412.502	DTDBHBMHCZUKAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120779
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1c(ccc(c1)C)C)C#N	PC-id_35687500	412.502	AHMFNNWGIZDAFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120780
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1cc(c(cc1)C)C)C#N	PC-id_35687557	412.502	QTCJLSPRDIWGQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120781
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1cc(cc(c1)C)C)C#N	PC-id_41564694	412.502	RXZDHMKPLRFVFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120782
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)COc1c(cccc1)C)C)C#N	PC-id_55416827	412.502	XKCHVMISUAXORJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120783
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[n+]([nH]oc1=O)C)C(=O)OC	PC-id_53294154	412.504	YCKRNGJWGHLQGO-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-120784
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)C)C)C(=O)OC	PC-id_53292726	412.504	SPMVNDAOKGUGQE-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-120785
s1c2c(CCCCC2)c(c1NC(=O)CSc1[n+]([nH]oc1=O)C)C(=O)OCC	PC-id_53292230	412.504	GSHWJXKFISJCKO-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-120786
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[n+]([nH]oc1=O)C)C(=O)OC	PC-id_53292244	412.504	AESHBDIWWYFZEJ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-120787
c1(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)sc2c(CCCCC2)c1C#N	TIMTEC411379,ChEMBL-DNDi_CHEMBL1588380,CoCoCo_1045805,MCULE-4537863462,ZINC22_34878670,EMOLS-id_2545462,PC-id_2697692	412.505	QSPOLDUHQFHJCO-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-120788
n12CCC(CCc1nn(CCOc1ccccc1)c2=O)C(=O)NCc1cccs1	EMOLS-id_207876650,MCULE-4683484805	412.505	QXXIAGHXWFCPPR-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120789
N1(Cc2ccccc2)C(=O)[C@@H](NC1=O)CCC(=O)Nc1sc2c(CCCCC2)n1	MCULE-6749800510,PC-id_75489510,ZINC22_96230985,EMOLS-id_49247164,STOCK7S-46346	412.505	XKDLSGSFDSTVDP-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120790
N1(Cc2ccccc2)C(=O)C(N=C1O)CCC(=O)Nc1sc2c(CCCCC2)n1	PC-id_91822154,EMOLS-id_54880658,MCULE-2144224737	412.505	XKDLSGSFDSTVDP-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-120791
N1(CCc2ccccc2)C(=O)[C@@H](NC1=O)CC(=O)Nc1sc2c(CCCCC2)n1	STOCK7S-43664,PC-id_71828361,MCULE-3938255423,ZINC22_95480959,EMOLS-id_48569012	412.505	XNGPQOGLFLKMGZ-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120792
N1(CCc2ccccc2)C(=O)C(N=C1O)CC(=O)/N=c
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N#Cc1c(=O)[nH]c(c(c1C)CCC(=O)NNC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_43990093,PC-id_24517375,MCULE-2156051000,CoCoCo_4278269	412.505	DUPNSJFIDPVMEI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-120794
O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1nc2c(s1)CCCCC2	ZINC22_252570841	412.505	XKDLSGSFDSTVDP-MRXNPFEDSA-N	00000011100000110101000000000010000000000000000000000000	31-01-120795
CCn1ccc2c1C(O)CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)O	PC-id_22737982,SCHEMBL6780606	412.525	LFHJCLYGDLFJNG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120834
O=C(C[C@H]1N=C(O)N(CCc2ccccc2)C1=O)Nc1nc2c(s1)CCCCC2	PC-id_97267127,ZINC22_95480960	412.505	XNGPQOGLFLKMGZ-MRXNPFEDSA-N	00000011100000110101000000000010000000000000000000000000	31-01-120796
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(c(N2CCNC2=O)cc1)C	PC-id_60566737	412.505	ATAJERNMXONFSY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-120797
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)NC2CC2)cc1	PC-id_39930177	412.505	PGVBNRMFLNGXRD-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-120798
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)NC2CC2)ccc1	PC-id_60527713	412.505	UDYLPMURABDFAW-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-120799
s1c2CCCCCc2cc1C(=O)NNC(=O)CCC1C(=C(C(=O)N=C1C)C#N)C	PC-id_74290286	412.505	XQZNMKRVKDLEFE-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-120800
s1c2CCCCCc2cc1C(=O)NNC(=O)CCn1c2c(n(c1=O)C)cccc2	PC-id_24636473	412.505	VIYLNEDBURLUOQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120801
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1c2c(n(c1=O)CC)cccc2	PC-id_41662517	412.505	NTESZZSSFGMDDY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120802
s1c2c(CCCCC2)c(c1NC(=O)c1c2c(n(nc2C)C)nc(c1)C)C(=O)OC	PC-id_52638626	412.505	BWYLSFACCZMVCY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120803
s1c2c(CCCCC2)c(c1NC(=O)c1cc2c(n(nc2)C(C)C)nc1)C(=O)OC	PC-id_52598474	412.505	YANWQUFKQHLALW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120804
s1c2c(CCCCC2)c(c1NC(=O)C1CN(C(=O)C1)Cc1ncccc1)C(=O)N	PC-id_60529575	412.505	DRWRHHLMRIYXSX-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-120805
s1c2c(CCCCC2)c(c1NC(=O)CCC1C(=C(C(=O)N=C1C)C#N)C)C(=O)N	PC-id_76233248	412.505	SCLDFVWOGUOJHO-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-120806
s1c2c(CCCCC2)c(c1NC(=O)CCc1c(c(c(=O)[nH]c1C)C#N)C)C(=O)N	PC-id_55383961	412.505	LTLMPOKMZHKUCL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-120807
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1c(n(nc1C)C)C)C#N	PC-id_41496701	412.505	SDDOMQPWTGCAOO-MDZDMXLPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120808
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1c(n(nc1C)C)C)C#N	PC-id_74761166	412.505	SDDOMQPWTGCAOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120809
s1c2CCCCCc2nc1NC(=O)CCCc1onc(n1)c1ccc(OC)cc1	PC-id_37833900	412.505	XWKYKBALUVNVEL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120810
s1c2CCCCCc2nc1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(cc1)C)C	PC-id_46699270	412.505	CFSVQJWRWFIKMR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-120811
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(N2CCNC2=O)ccc1	PC-id_55702615	412.505	USIZMABXOUOHAI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-120812
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cn1c2c(n(c1=O)C)cccc2	PC-id_24609587	412.505	MHHFUKRIQILWSI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120813
s1c(CN(C(=O)Cn2nc3n(CCCCC3)c2=O)c2ccc(OC)cc2)ccc1	PC-id_55583607	412.505	QNHOXAOEEVEEBE-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120814
c1(CN(C)C(=O)CCSc2nnc(c3ccncc3)o2)c2CCCCCc2[nH]n1	EMOLS-id_232892106,ZINC22_823629704,MCULE-9578833906	412.509	MBPASKLGPQAFRM-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-120815
Cc1c(NC(=O)CSc2nnc3n2CCCCC3)c(=O)n(c2ccccc2)n1C	PC-id_7877506,EMOLS-id_3704668,ZINC22_6098309,CoCoCo_3082159,MCULE-4282041240	412.509	PGMDWRNPGPKWOY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120816
n12CCN(CCc1nnc2CCNC(=O)COc1ccccc1)Cc1sccn1	EMOLS-id_20541161,CoCoCo_1330836,PC-id_42438621,MCULE-7210198270,ZINC22_12163273,CoCoCo_1330835	412.509	PQKZTFNCAXRLRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120817
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1c(n2ncnc2nc1C)C	PC-id_9429472	412.509	DEKODQBTEKZUCF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120818
s1c(nc(c1)c1ccncc1)CCCNC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_56519009	412.509	MDUBKYGTRVSZNK-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-120819
O=C1/C(=C/C=C/c2ccc3-c2ccccc3)/CC/C/1=C/C=C/c1ccc2-c1ccccc2	PC-id_102298974	412.522	ZTVWIXHGNMQCDH-ILOPQETMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-120820
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1Cc1ccc(F)cc1	ZINC22_6097230,PC-id_7876751,MCULE-3349921242,CoCoCo_3081504,EMOLS-id_11721319	412.524	OXSMKKGTNRLRAE-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-120821
Cc1nc2c(s1)CCN(CC2)C(=O)Cn1c(cc(n1)c1ccc(cc1)F)C(C)C	PC-id_89607936,SCHEMBL15002023	412.524	ZHLKYIKDMLHILG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120822
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(c(c1)C)F	SCHEMBL15001958,PC-id_89607875	412.524	CDEWHKQPXVOGMN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120823
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(c(c1)F)C	SCHEMBL15002333,PC-id_89608237	412.524	MGZJIVCQSUZKJS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120824
Fc1ccc(cc1)Cn1c(C)cc(c1C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3081505,CoCoCo_3081508	412.524	GLXKQXGVSQQAKG-ZHZULCJRSA-N	00000000110000110101000000000010000000000000000000000000	31-01-120825
Fc1ccc(cc1)Cn1c(C)cc(c1C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3081506,CoCoCo_3081507	412.524	GLXKQXGVSQQAKG-XSFVSMFZSA-N	00000000110000110101000000000010000000000000000000000000	31-01-120826
N#Cc1c(NC(=O)CN2CCN(c3ccccc3F)CC2)sc2c1CCCCC2	CoCoCo_3567059,ZINC22_34867471,CoCoCo_3567058,MCULE-8382536790,PC-id_2697614,EMOLS-id_3453783	412.524	SZAFAILHHXYPTP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120827
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(F)cc1)C#N	PC-id_22198398	412.524	CDKZLUNHUTVUNI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120828
S(c1n2CCCCCc2nn1)CC(=O)c1c(n(c(c1)C)c1cc(F)c(cc1)C)C	PC-id_7877639	412.524	BQYUJPRDKDKEBL-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-120829
c1(C(=O)NC2CCN(CC2)Cc2ccc(c(OC)c2)OC)c2CCCCCc2[nH]n1	PC-id_91640676,STOCK7S-50616,EMOLS-id_54878581,ZINC22_170625675,EMOLS-id_50232084,MCULE-6704267119	412.525	HHGIOGBDVRXQOV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120830
c1(C(=O)NCCCN2CCN(CC2)c2ccccc2OC)c2CCCCCc2on1	MCULE-1435589767,PC-id_20923869,CoCoCo_2401421,CoCoCo_2401422,EMOLS-id_16234835	412.525	ZJMWQNZGUCGOIL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120831
CCCN(CC1CC1)C(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	EMOLS-id_207876605,MCULE-2779862798	412.525	XLKIKYPBEUYBRO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-120832
CCn1cc2c(c1)C(=O)N(CCC2O)CCCN1CCN(CC1)c1ccc(cc1)O	PC-id_22737989,SCHEMBL6776345	412.525	MIZZOTBHLCKPIM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120833
O=c1n2CCCCCc2nn1CC(=O)NCC(N1CCN(CC1)c1ccccc1)C	PC-id_55694947	412.528	VBPRTYCVLBJFOS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120874
COc1ccccc1N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)O	PC-id_22737987,SCHEMBL6770817	412.525	YBVSSSPHXLPESV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120835
COc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)O	SCHEMBL6775115,PC-id_10597793	412.525	DNYKNBVESKEIPY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120836
COc1ccccc1N1CCN(CC1)CCCOC1=NCCC(c2c1n(C)cc2)O	SCHEMBL6988682,PC-id_54479413	412.525	XNXYPJGSXPNSMZ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-120837
COC1CCN(C(=O)c2c1cn(c2)C)CCCN1CCN(CC1)c1ccc(cc1)O	PC-id_22737983,SCHEMBL6780145	412.525	KXBXIDNVJZRKNN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120838
COC1CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccc(cc1)O	SCHEMBL6769479,PC-id_22737909	412.525	SSJMKHWABFIXHG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120839
n12CCC(CCc1nn(CCOc1ccccc1)c2=O)C(=O)NCC1CCCCC1	EMOLS-id_207876674,MCULE-6813937498	412.525	CKORXDZCJPONRG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120840
N(=Nc1ccc(C(c2ccccc2)c2ccccc2)cc1)c1c2-c(c(c1)C)ccccc2	PC-id_10597794	412.525	BWOWJDBYHFFDDN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-120841
Oc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)c(C)cn2C)O	PC-id_22737966,SCHEMBL6773004	412.525	GQGZGUVWZOMFBH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120842
O=C(N1CCC(CC1)CCc1ccc(OC)cc1)Cn1nc2n(CCCCC2)c1=O	PC-id_55585046	412.525	JWVOSQCTBOBGKF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120843
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+](Cc1cc2OCOc2cc1)C)C)C#N	PC-id_9291765	412.525	XDZWQLVCQZYUIB-AWEZNQCLSA-O	00000010100000100101000000001010000000000000000000000000	31-01-120844
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+](Cc1cc2OCOc2cc1)C)C)C#N	PC-id_9291767	412.525	XDZWQLVCQZYUIB-CQSZACIVSA-O	00000010100000100101000000001010000000000000000000000000	31-01-120845
s1c2c(CCCCC2)c(c1NC(=O)C([NH+](Cc1cc2OCOc2cc1)C)C)C#N	PC-id_84971963	412.525	XDZWQLVCQZYUIB-UHFFFAOYSA-O	00000010100000100101000000001010000000000000000000000000	31-01-120846
c1(C(=O)NCCc2c3ccccc3n(Cc3ccccc3)c2)c2CCCCCc2[nH]n1	MCULE-2896512177	412.527	BPCSKJOOAXACDV-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-120847
CCc1ccc(cc1)S(=O)(=O)N1CCCn2c(C1)c(nc2)CNS(=O)(=O)C	PC-id_97519521	412.527	YPJQUKARYNVPRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120848
s1c2c(CCCCC2)c(c1NC(=O)CSC1NC(N)CC(=O)N1)C(=O)OC	PC-id_78326539	412.527	KWBIYGFGPRAKNO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-120849
s1c2CCCCCCc2nc1NC(=O)[C@@H](NS(=O)(=O)c1c(onc1C)C)C	PC-id_56022754	412.527	BTYOLYLALVKNNV-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-120850
s1c2CCCCCCc2nc1NC(=O)C(NS(=O)(=O)c1c(onc1C)C)C	PC-id_76294620	412.527	BTYOLYLALVKNNV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120851
C/C(=Cc1ccco1)/CN1CCc2nnc(CNC(=O)[C@@H]3CCCN(C)C3)n2CC1	ZINC22_14973612	412.528	ZKVUYDUPUQGMSV-VJSYINPZSA-N	00000000101010000101000000000010000000000000000000000000	31-01-120852
C/C(=Cc1ccco1)/CN1CCc2nnc(CNC(=O)[C@H]3CCCN(C)C3)n2CC1	ZINC22_14973617	412.528	ZKVUYDUPUQGMSV-KJCUYJGMSA-N	00000000101010000101000000000010000000000000000000000000	31-01-120853
CCn1nc2CCC(CCn2c1=O)C(=O)NCCN1CCN(CC1)c1ccccc1	MCULE-8921810593,EMOLS-id_207877047	412.528	KHOZZZKPVQAJJM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120854
CCN(CC)C(=O)[C@H](NC(=O)NCCc1nnc2n1CCCCC2)c1ccccc1	ZINC22_56828160,PC-id_52415994	412.528	KGHYOWBYMYTPAJ-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120855
CCN(CC)C(=O)[C@@H](NC(=O)NCCc1nnc2n1CCCCC2)c1ccccc1	ZINC22_56828161,PC-id_52415995	412.528	KGHYOWBYMYTPAJ-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120856
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc2c(c1)OCO2)C	PC-id_111367861	412.528	MAASXCYJGBAYDV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-120857
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccc2c(c1)OCO2	PC-id_111379941	412.528	RHSGTZHICRAILE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-120858
CCN(C(=O)C(c1ccccc1)NC(=O)NCCc1nnc2n1CCCCC2)CC	EMOLS-id_32061054,MCULE-8949238229,PC-id_51122306	412.528	KGHYOWBYMYTPAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120859
CCOc1cc2CC(Oc2cc1CNC(=NC)NCc1nnc2n1CCCCC2)C	PC-id_111381345	412.528	YKELLFYASCENAK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-120860
CN1CCCC(C1)C(=O)NCc1nnc2CCN(C/C(=C/c3ccco3)/C)CCn12	PC-id_45931764,EMOLS-id_232759782	412.528	ZKVUYDUPUQGMSV-GHRIWEEISA-N	00000000101010000101000000000010000000000000000000000000	31-01-120861
CN1CCCC(C1)C(=O)NCCc1nnc2n1CCN(CC2)Cc1ccc(cc1)O	ChEMBL-DNDi_CHEMBL14203048	412.528	SMXQJLWZYUUAPT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120862
CN1CCN(CC1)CCc1ccc(cc1)NC(=O)Cn1nc2n(c1=O)CCCCC2	PC-id_87032450	412.528	UADLOXVRIBWOKR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120863
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1OC1CCOC1)C	PC-id_109740933	412.528	KETASWIJMRRLSV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-120864
COc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)[nH]c2c1	EMOLS-id_43694730,PC-id_3425840,CoCoCo_2834318,MCULE-3486411127,CoCoCo_2834319,ZINC22_6420363	412.528	BGHHSFCGTPZBPU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120865
n12CCN(CCc1nnc2CNC(=O)C1CCCN(C)C1)CC(=Cc1ccco1)C	PC-id_75193113,MCULE-9694440387	412.528	ZKVUYDUPUQGMSV-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-120866
O1CCN(CC1)Cc1cc(CNC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55921820	412.528	DYKIZUJINRWRBT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120867
O1C(CN(CC1C)c1c(NC(=O)NCCc2n3CCCCCc3nn2)cccc1)C	PC-id_60486911	412.528	AECIGBXTYNWOBH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120868
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(CN2CCN(CC2)CC)cc1	PC-id_55714857	412.528	NSXPRBMGOLIKJS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120869
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(CN2CCN(CC2)C)cc1	PC-id_55840339	412.528	PNCLCETUBKPQNQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120870
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(CN2CCN(CC2)C)ccc1	PC-id_56487091	412.528	LSTGQZRSOQHSBX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120871
O=c1n2CCCCCc2nn1CC(=O)N(CCCC1NNC(C1)c1ccccc1)C	PC-id_76290849	412.528	LXUPVEZVJJRGIW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-120872
O=c1n2CCCCCc2nn1CC(=O)NCCCN1CCN(CC1)c1ccccc1	PC-id_55638995	412.528	VLSYYMOSEBIWCB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120873
O=c1n2CCCCCc2nn1CC(=O)NC(CN1CCN(CC1)C)c1ccccc1	PC-id_56465201	412.528	WNXKGPBOEBQBFY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120875
O=C(c1ccc(cc1)n1ccnc1S)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_72993964,PC-id_45898917,MCULE-4445178430,CoCoCo_4918767	412.528	NRSKVMOXZZCTSP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120876
O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1nc2c(s1)CCCCC2	MCULE-8329575098,PC-id_25481163,CoCoCo_4546191,EMOLS-id_17157395,ZINC22_12749385	412.528	XSZNDLKWTWGOAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120877
O=C(N(C1CCN(CC1)CCc1ncccc1)C)Cn1nc2n(CCCCC2)c1=O	PC-id_56278991	412.528	HSRVVQKRSMHUMR-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-120878
O=C(NCCc1n2CCCCCc2nn1)C(NC(=O)NCc1ccccc1)C(C)C	PC-id_55553552	412.528	DPHJXCCVHQEARC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120879
O=C(NC(CC)(C)C)c1ccc(NC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_60486756	412.528	JZUHHSUUDUTQDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120880
s1c2CCCCCc2cc1C(=O)NNC(=O)c1n(c2ccccc2)c(=S)[nH]c1	PC-id_24554120	412.528	ZHHUOSXXMCHBLR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120881
s1c2CCCCCc2cc1C(=O)NNC(=O)c1sc(nc1C)c1ncccc1	PC-id_26995131	412.528	CGXAOMCAJQZDJA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-120882
s1c2CCCCCc2c(c1NC(=O)Cn1c(=O)c2c(c(sc2nc1)C)C)C#N	PC-id_38849110	412.528	BVBPBLJWMWGNRN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120883
s1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)ccc1	PC-id_42369045	412.528	NLSWZLKHKBSDEK-UHFFFAOYSA-O	00000000100100110101000000000010000000000000000000000000	31-01-120884
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)ccc1	PC-id_42468633	412.528	KZFFMHZOOIZVMS-MRXNPFEDSA-O	00000000100100110101000000000010000000000000000000000000	31-01-120885
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)ccc1	PC-id_42468635	412.528	KZFFMHZOOIZVMS-INIZCTEOSA-O	00000000100100110101000000000010000000000000000000000000	31-01-120886
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)ccc1	PC-id_74806190	412.528	KZFFMHZOOIZVMS-UHFFFAOYSA-O	00000000100100110101000000000010000000000000000000000000	31-01-120887
O=c1sc2c(s1)SCC(=NNC(=O)C(=O)NNc1ccccc1)CS2	MCULE-7557933508,PC-id_3897792,CK1982759	412.53	FFYPLUPLTFWUHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120888
S1CC(=CSc2sc(=O)sc12)NNC(=O)C(=O)NNc1ccccc1	PC-id_4225138	412.53	RVUYSZFQAYBOAE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-120889
Cc1cc(C)n2nc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)nc2n1	ZINC22_6790146,CoCoCo_2801892,EMOLS-id_3451893,MCULE-9189560528,PC-id_4799838	412.532	VGRJUELUIDEDIW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120890
Cc1c(sc2c1c(ncn2)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O)C	PC-id_135725178	412.532	FJBBSLAKSJTVKV-YPKPFQOOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120891
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1ncnc2n(ncc12)C)C)C#N	PC-id_51490015	412.532	NHWBNWBRKRRFRL-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-120892
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1ncnc2n(ncc12)C)C)C#N	PC-id_51490016	412.532	NHWBNWBRKRRFRL-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120893
s1c2CCCCCc2c(c1NC(=O)C(Sc1ncnc2nc[nH]c12)CC)C#N	PC-id_23101866	412.532	MBZDBWVWKCLDHF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120894
s1c2CCCCCc2c(c1NC(=O)C(Sc1ncnc2n(ncc12)C)C)C#N	PC-id_24602194	412.532	NHWBNWBRKRRFRL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120895
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1ncnc2sc(c(c12)C)C	PC-id_78642136	412.532	CZARYWAJJOMXPL-UHFFFAOYSA-N	00000011100000100111000001000010000000000000000000000000	31-01-120896
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1ncnc2sc(c(c12)C)C	PC-id_8248298	412.532	CZARYWAJJOMXPL-LGMDPLHJSA-N	00000011100000100111000001000010000000000000000000000000	31-01-120897
CCCCCCOC1(OCCCCCC)COc2c(OC1)c(sc2C=O)C=O	PC-id_102155704	412.54	MFLKVUWDWCPWGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120898
s1c(c2OCC(CCCC)(CCCC)COc2c1C(=O)OCC)C(=O)OCC	PC-id_12141185	412.54	HMPFQTJYVLSENQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120899
FC1=C(CCCNC(C(=C)c2c[nH]c3c2CC=CC=C3)c2ccccc2)CC=CC=C1	SCHEMBL21228430,PC-id_139374365	412.542	GIMUGQJRCIUAGN-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-120900
CC#Cc1c2c(c(s1)C#CC)OCC(CO2)(Cc1ccccc1)Cc1ccccc1	PC-id_90692610	412.543	ULAUFAZAQQZLLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120901
CCn1cc(c2c1CCCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)F)C	SCHEMBL6774114,PC-id_22737988	412.543	KBESWOWDBUKVHV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120902
Fc1ccc(cc1)N1CCN(CC1)CCCCN1CCCc2c(C1=O)c(C)cn2C	SCHEMBL6775163,PC-id_22737929	412.543	YYZURZMGGYAUEP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120903
COc1ccccc1NC(=O)c1c(NCC2=CCC(O2)C)sc2c1CCCCC2	SCHEMBL10077275,PC-id_68028113	412.545	GOMWNELJWSFEQE-UHFFFAOYSA-N	00000011100000110100000000000010000000000000000000000000	31-01-120904
O=C(c1c(sc2c1CCCCC2)NC(=O)c1ccccc1O)NC1CCCCC1	PC-id_145966908	412.545	UXJAONKXGUFCFO-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-120905
O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cc2c(s1)CCCCCC2	ZINC22_5302206,PC-id_7618275,EMOLS-id_19310888,MCULE-4299648879,CoCoCo_2876704	412.545	RQSKMMNMFPOQJS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120906
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)C(=O)Cc1cc(OC)ccc1	PC-id_56128611	412.545	RGXDXNZMEPTJFS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120907
s1c2CCCCCc2cc1C(=O)OC(C(=O)N1CCN(CC1)c1ccccc1)C	PC-id_78644192	412.545	JTGNIPDVOXMDJH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120908
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)N1CCN(CC1)c1ccccc1)C	PC-id_8254832	412.545	JTGNIPDVOXMDJH-KRWDZBQOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120909
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)N1CCN(CC1)c1ccccc1)C	PC-id_8254837	412.545	JTGNIPDVOXMDJH-QGZVFWFLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120910
s1c2c(CCCCC2)c(c1NC(=O)CN1C(Cc2c1cccc2)C)C(=O)OCC	PC-id_22200036	412.545	QHLJZOJPUGGLOG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-120911
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)c1ccc(OC)cc1	PC-id_38047686	412.545	ZRBJFUVOPIGIGU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120912
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)c1cc(OC)ccc1	PC-id_46570382	412.545	MNSPCYLXKDWFPM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120913
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(=O)c1ccc(C(C)(C)C)cc1	PC-id_56108775	412.545	ZNZLWPFMHOJRAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-120914
s1c2c(CCCCCC2)c(c1NC(=O)CN1C(Cc2c1cccc2)C)C(=O)OC	PC-id_22199964	412.545	WBTCWUIMWAEMRP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-120915
CCNC(=NCC1(CC1)c1cccc(c1)F)NCCCc1nnc2n1CCCCC2	PC-id_111638898	412.547	WVQCMNWXPZLQMS-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-120916
CCNC(=NCC1(CC1)c1ccccc1F)NCCCc1nnc2n1CCCCC2	PC-id_112071752	412.547	FYWIBZIBZYTBRO-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-120917
s1c2CCCCCc2cc1C(=O)OCC(=O)NCCN1C(=O)CSC1=S	PC-id_7650124	412.547	QSIKZJZTBAHSPF-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-120918
c1(NC(=O)CCC(=O)N2CCN(CC2)c2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_334809871,MCULE-4307025860	412.548	AFWMQSPAHYBQEL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-120919
c1(NC(=O)CCC(=O)Nc2ccc(cc2)N2CCCC2)sc2c(CCCCC2)n1	EMOLS-id_335034185,MCULE-4496141435	412.548	VFCGHDWMBJDPBM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-120920
Cc1cccc(c1)NC(=O)N1CCCC(C1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112838344	412.548	BFIHTWUSZVGNAI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120921
Cn1c2CCN(CCc2nc1C(=O)NCc1cccs1)C(=O)C1(C)CCC=CC1	EMOLS-id_313766863	412.548	ABNATSAOZPSQMO-UHFFFAOYSA-N	00000000100111000101000000000010000000000000000000000000	31-01-120922
Cn1c(C(=O)NCc2cccs2)nc2c1CCN(C(=O)[C@]1(C)CC=CCC1)CC2	ZINC22_1565555419	412.548	ABNATSAOZPSQMO-JOCHJYFZSA-N	00000000100111000101000000000010000000000000000000000000	31-01-120923
Cn1c(C(=O)NCc2cccs2)nc2c1CCN(C(=O)[C@@]1(C)CC=CCC1)CC2	ZINC22_1614940350	412.548	ABNATSAOZPSQMO-QFIPXVFZSA-N	00000000100111000101000000000010000000000000000000000000	31-01-120924
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C)CC(C)C)CC2)cccc1)CC=C	PC-id_42163875	412.548	JZDPBWRAGOUJGS-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-120925
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C)CC(C)C)CC2)cccc1)CC=C	PC-id_42163877	412.548	JZDPBWRAGOUJGS-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-120926
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)C)CC(C)C)CC2)cccc1)CC=C	PC-id_74779998	412.548	JZDPBWRAGOUJGS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-120927
O=C(N1CCNCC1)NCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	SCHEMBL8368994,PC-id_59767707	412.548	NVTDAITUYGFLAY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120928
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1ccc(OC)cc1)CC(C)C)C	PC-id_74784630	412.548	JMFWMFMHLHLKFD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-120929
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1c(OC)cccc1)CC(C)C)C	PC-id_74806094	412.548	DXHGZGUEQIUGBM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-120930
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)CC(C)C)C	PC-id_42237130	412.548	JMFWMFMHLHLKFD-YAQIIAKESA-O	00000000100000110101000000000010000000000000000000000000	31-01-120931
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)CC(C)C)C	PC-id_42237133	412.548	JMFWMFMHLHLKFD-LYSGITKLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-120932
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)CC(C)C)C	PC-id_42467354	412.548	DXHGZGUEQIUGBM-FHVRUZERSA-O	00000000100000110101000000000010000000000000000000000000	31-01-120933
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)CC(C)C)C	PC-id_42467358	412.548	DXHGZGUEQIUGBM-JCOOBLOPSA-O	00000000100000110101000000000010000000000000000000000000	31-01-120934
s1c2CCCCCc2nc1NC(=O)C(=Cc1c(n(C(COC)C)c(c1)C)C)C#N	PC-id_55507896	412.548	JKJTZIBYUWJJRY-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-120935
s1c2CCCCCCc2cc1C(=O)Nc1ccc(N2CC(CCC2)C(=O)N)nc1	PC-id_55968795	412.548	GPJWGFVGHLVOIL-UHFFFAOYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-120936
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1occc1)C#N	PC-id_22195995	412.548	KACPQGCUWZIMDU-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-120937
s1c2CCCCCCc2nc1NC(=O)C1CCCN(C1)C(=O)Nc1ccccc1	PC-id_56036742	412.548	FHDVEMLMZLRXJN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-120938
Cc1cccc(c1)/C=C(/c1nnc2n1CCCCC2)c1scc(n1)c1ccccc1	CoCoCo_3764528	412.55	KCBUMAQELGRFFP-PGMHBOJBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120939
Cc1cccc(c1)C=C(c1nnc2n1CCCCC2)c1scc(n1)c1ccccc1	PC-id_3350035,MCULE-4804942691,EMOLS-id_301004016	412.55	KCBUMAQELGRFFP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120940
Cc1cccc(/C=C(/c2nc(c3ccccc3)cs2)c2nnc3n2CCCCC3)c1	CoCoCo_3764529,ZINC22_33458905,PC-id_5800549	412.55	KCBUMAQELGRFFP-LTGZKZEYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-120941
CCOC(=O)c1c(NC(=O)CSc2nnc(s2)N)sc2c1CCCCC2	PC-id_3935419,SPECS-id_AT-225/NB85464	412.55	GUNNKXMKEUALSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120942
s1c2c(CCCCC2)c(c1NC(=O)CCSc1sc(nn1)N)C(=O)OC	PC-id_24029058	412.55	WZGXBZPLAFVLDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120943
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC)nn1)C(=O)OC	PC-id_8228315	412.55	NZDNXKATXKNGCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120944
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(nn1)N)C)C(=O)OC	PC-id_23830383	412.55	QCSFWAVPJZZMCA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120945
c1(C(=O)N2CCCC2)nc2n(ccs2)c1CN(C)Cc1c2CCCCCc2[nH]n1	Chemmine_30394,PC-id_28133669,CoCoCo_1420795,ZINC22_12298104,CoCoCo_1420797,CoCoCo_1420796,CoCoCo_1420798,EMOLS-id_20601747,MCULE-3607065583	412.552	DIOONQBYMHNSRS-UHFFFAOYSA-N	00000010100000000101000100000010000000000000000000000000	31-01-120946
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1cc2c(s1)cccc2)O	PC-id_109728039	412.552	WRWYGWSHKVKPTQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120947
CC[NH+]1CCN(CC1)c1ccccc1NC(=O)NCCc1nnc2n1CCCCC2	GD-id_ZINC43574694	412.552	IPWIBFCGVHCZMY-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-120948
CN=C(NCC(c1cc2c(s1)cccc2)O)NCCc1nnc2n1CCCCC2	PC-id_109728057	412.552	SEVQTAALIOWQGI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-120949
N#Cc1c(NC(=O)CCN2CCCCC2Cn2nncc2)sc2c1CCCCC2	EMOLS-id_48316360,PC-id_75442271,MCULE-6098736061	412.552	JZIHNZKINMTJAA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-120950
N#Cc1c(NC(=O)CCN2CCCC[C@H]2Cn2ccnn2)sc2c1CCCCC2	ZINC22_95459739,PC-id_97256724	412.552	JZIHNZKINMTJAA-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-120951
N#Cc1c(NC(=O)CCN2CCCC[C@@H]2Cn2ccnn2)sc2c1CCCCC2	ZINC22_95459740,PC-id_97256725	412.552	JZIHNZKINMTJAA-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-120952
O=C(NCc1ccc([nH+]c1)N1CCCCCC1)NCCc1nnc2n1CCCCC2	GD-id_ZINC48371392	412.552	SCPHIHZZDAXJMO-UHFFFAOYSA-O	00000000100000101101100000000010000000000000000000000000	31-01-120953
O=C(NC[C@H]([NH+]1CCN(CC1)c1ccccc1)C)NCc1nnc2n1CCCCC2	GD-id_ZINC43779483	412.552	GHKYUPXPEJAHRL-GOSISDBHSA-O	00000000100010110101100000000010000000000000000000000000	31-01-120954
S(c1n2CCCCCc2nn1)CC(=O)Nc1n(C2CCCC2)c(c(c1C#N)C)C	PC-id_16599519	412.552	LZBIVAXBTGUIOR-UHFFFAOYSA-N	00000010110000000101100000000010000000000000000000000000	31-01-120955
CCCc1cc2n(c1C(=O)c1cccn1CCCC)CCCCC2C(=O)OC(C)C	PC-id_70536851,SCHEMBL11203703	412.565	IYHXYJBIUFGAKI-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-120956
CC(=O)CC(CC(CNC(=O)C1(F)CCCCCc2c1nnn2C)(S)C)(C)C	PC-id_145096113	412.565	DGVJFQKGGYDDPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-120957
S(=O)(=O)(C1CCCC1)CCC(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_52275509	412.567	FJGLZAKHISFYTK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-120958
c1(c2CCCCCc2sc1NCc1cccs1)C(=O)Nc1ccc(cc1)OC	EMOLS-id_16406284,CHEMBL1397296,PC-id_5140977,CoCoCo_2720537,MCULE-1126085080	412.568	LQFAJGPLTGRWRJ-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-120959
COc1ccccc1NC(=O)c1c(NCc2cccs2)sc2c1CCCCC2	CoCoCo_2720531,PC-id_5012875,CK1418651	412.568	FLMHQLHOKNUPQB-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-120960
O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)NCCc1nnc2n1CCCCC2	PC-id_112812247	412.568	LKYVYKQUGXQGLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120961
s1c2CCCCCc2cc1C(=O)Nc1c(C[NH+]2CC(CCC2)C(=O)N)cccc1	PC-id_75860093	412.568	XUQSWQWGKBPUEY-UHFFFAOYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-120962
s1c2CCCCCc2cc1C(=O)Nc1c(C[NH+]2C[C@H](CCC2)C(=O)N)cccc1	PC-id_52500922	412.568	XUQSWQWGKBPUEY-SFHVURJKSA-O	00000000100010110100000000000010000000000000000000000000	31-01-120963
s1c2CCCCCc2cc1C(=O)Nc1c(C[NH+]2C[C@@H](CCC2)C(=O)N)cccc1	PC-id_52500924	412.568	XUQSWQWGKBPUEY-GOSISDBHSA-O	00000000100010110100000000000010000000000000000000000000	31-01-120964
s1c2CCCCCc2c(c1NC(=O)CC[NH+](Cc1ccc(OCC)cc1)C)C#N	PC-id_25692843	412.568	DOJHBYWOFDQHOK-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-120965
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+](Cc1ccc(OCC)cc1)C)C)C#N	PC-id_9494924	412.568	VTHOAESNEIGBES-INIZCTEOSA-O	00000000100000110100000000000010000000000000000000000000	31-01-120966
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+](Cc1ccc(OCC)cc1)C)C)C#N	PC-id_9494927	412.568	VTHOAESNEIGBES-MRXNPFEDSA-O	00000000100000110100000000000010000000000000000000000000	31-01-120967
s1c2c(CCCCC2)c(c1NC(=O)C([NH+](Cc1ccc(OCC)cc1)C)C)C#N	PC-id_85025904	412.568	VTHOAESNEIGBES-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-120968
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](C(c1cc(OC)ccc1)C)CC)C#N	PC-id_75878434	412.568	RYSPCLPZYXOTDP-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-120969
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]([C@H](c1cc(OC)ccc1)C)CC)C#N	PC-id_52599493	412.568	RYSPCLPZYXOTDP-INIZCTEOSA-O	00000000100000110100000000000010000000000000000000000000	31-01-120970
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]([C@@H](c1cc(OC)ccc1)C)CC)C#N	PC-id_52599495	412.568	RYSPCLPZYXOTDP-MRXNPFEDSA-O	00000000100000110100000000000010000000000000000000000000	31-01-120971
s1c2CCCCCCc2cc1C(=O)Nc1cc(C[NH+]2C(CCC2)C(=O)N)ccc1	PC-id_75911726	412.568	BJWAXQQYOFXTFR-UHFFFAOYSA-O	00000010100000110100000000000010000000000000000000000000	31-01-120972
s1c2CCCCCCc2cc1C(=O)Nc1cc(C[NH+]2[C@H](CCC2)C(=O)N)ccc1	PC-id_52730659	412.568	BJWAXQQYOFXTFR-LJQANCHMSA-O	00000010100000110100000000000010000000000000000000000000	31-01-120973
s1c2CCCCCCc2cc1C(=O)Nc1cc(C[NH+]2[C@@H](CCC2)C(=O)N)ccc1	PC-id_52730661	412.568	BJWAXQQYOFXTFR-IBGZPJMESA-O	00000010100000110100000000000010000000000000000000000000	31-01-120974
s1c2c(c(C(=O)N3CC[NH+](CC3)C)c1NC(=O)c1ccc(cc1)C)CCCCC2	PC-id_4175466	412.568	SSNOXFKVWQEKCL-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-120975
s1c2c(c(C(=O)N3CC[NH+](CC3)C)c1NC(=O)c1c(cccc1)C)CCCCC2	PC-id_4220485	412.568	PSHYDUOEHUUAOU-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-120976
s1c2c(c(C(=O)N3CC[NH+](CC3)C)c1NC(=O)c1cc(ccc1)C)CCCCC2	PC-id_6981388	412.568	GBQNQTSRJPDCDK-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-120977
s1c(C(=O)N2CC[NH+](CC2)CC(=O)Nc2ccccc2)cc2CCCCCCc12	PC-id_31147613	412.568	RTMKISFUYBZIBP-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-120978
O=C(CSc1nnc2n1CCCCC2)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	PC-id_8211648,ZINC22_7081561,CoCoCo_4013249	412.57	XTNAUTKNXSQCFW-OAHLLOKOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-120979
O=C(CSc1nnc2n1CCCCC2)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	PC-id_8211652,CoCoCo_4013248,ZINC22_7081565	412.57	XTNAUTKNXSQCFW-HNNXBMFYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-120980
O=C(N(C1CCS(=O)(=O)C1)C1CCCC1)CSc1nnc2n1CCCCC2	PC-id_45847500,EMOLS-id_24987465,MCULE-5471745060	412.57	XTNAUTKNXSQCFW-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-120981
S(c1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1)Cc1sccc1	PC-id_55533196	412.571	PJWDLBDCNZDBDV-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-120982
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(cc3)N(CC)CC)CCn12	ChEMBL-DNDi_CHEMBL36820607,PC-id_45203293,MCULE-8386387790,EMOLS-id_20542905	412.572	WVMAHSHEPRCBDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120983
CCCCCOc1cc(C)ccc1CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_109658719	412.572	WQKRJIJYSUGOQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120984
CCC(C)C(=O)NCc1nnc2CCN(Cc3ccc(cc3)N(CC)CC)CCn12	MCULE-3967571192,EMOLS-id_20540181,PC-id_45202687	412.572	DQWBSYWHIMVFML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120985
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(N(CC)CC)cc1)CC2	CoCoCo_1329450,CoCoCo_1329448,ZINC22_12161165	412.572	DQWBSYWHIMVFML-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120986
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(N(CC)CC)cc1)CC2	CoCoCo_1329451,ZINC22_12161161,CoCoCo_1329449	412.572	DQWBSYWHIMVFML-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120987
CCCOc1cc(C)ccc1CN=C(NCCc1nnc2n1CCCCC2)NCC	PC-id_109628607	412.572	QLLHYJWCRAUIDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120988
CCC(Oc1cc(C)ccc1CNC(=NC)NCCc1nnc2n1CCCCC2)C	PC-id_109678551	412.572	JKJSCFASSBXRHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120989
CCCOc1cc(C)ccc1CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109628039	412.572	HWWTUUGEQBDKDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120990
CCN(CC)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1	PC-id_29219157,CoCoCo_1333284,CoCoCo_1333283,ZINC22_20918822	412.572	WVMAHSHEPRCBDB-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120991
CCN(CC)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1	PC-id_29219161,CoCoCo_1333286,CoCoCo_1333285,ZINC22_20918830	412.572	WVMAHSHEPRCBDB-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120992
CCNC(=NCc1ccc(cc1OC(CC)C)C)NCc1nnc2n1CCCCC2	PC-id_109678545	412.572	WPFTVXXJLRQNKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120993
CCNC(=NCc1ccc(cc1OC(C)C)C)NCCc1nnc2n1CCCCC2	PC-id_109629981	412.572	JRLCOJDHPYIUGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120994
CCNC(=NCc1ccccc1OC(C)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111690290	412.572	CPHKRFFOORKTJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120995
CCNC(=NCc1ccc(cc1OCC)C)NCCCc1nnc2n1CCCCC2	PC-id_109679973	412.572	UBOHFZCOQCZTRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120996
CCNC(=NCc1nnc2n1CCCCC2)NC(c1ccc(cc1)OCC(C)C)C	PC-id_109748119	412.572	DABCLAUVGMJEDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120997
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccc(cc1)C(C)(C)C)O	PC-id_109493124	412.572	XJKAGTBQCCXBHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120998
CCNC(=NCCC(c1ccc(cc1)OC)C)NCCc1nnc2n1CCCCC2	PC-id_111640868	412.572	UBFLQQXQXLTBHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-120999
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)OCC)C	PC-id_111274979	412.572	JMYMZRXPLTZPSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121000
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1cc(C)ccc1OC)C	PC-id_111386352	412.572	GNMKTGXMDPKLID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121001
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccc(c(c1)OC)C	PC-id_111589346	412.572	DFXKAOZFQFVZRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121002
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1cc(C)ccc1OC	PC-id_111388846	412.572	AXVFTSWHGFIAAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121003
CCNC(=NCCCc1nnc2n1CCCCC2)N(CCOc1ccc(cc1)C)C	PC-id_111419265	412.572	SZLAXVHILVMDBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121004
CCNC(=NCCCc1nnc2n1CCCCC2)N(CCOc1ccccc1C)C	PC-id_111419505	412.572	QYKMHDYFCQKNCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121005
CCNC(=NCC(COCc1ccccc1)C)NCCc1nnc2n1CCCCC2	PC-id_109568747	412.572	UESCQNLYHQUYCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121006
CCNC(=NCCCOC(c1ccccc1)C)NCCc1nnc2n1CCCCC2	PC-id_111403269	412.572	PGCMUZOAZAXBNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121007
CCNC(=NCC(Oc1cccc(c1)C)C)NCCCc1nnc2n1CCCCC2	PC-id_111685550	412.572	JCMPOBIDUCKVKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121008
CCNC(=NCC(Oc1ccccc1C)C)NCCCc1nnc2n1CCCCC2	PC-id_111686592	412.572	VIPQNIXELAZNGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121009
CN=C(NC(c1ccc(cc1)OCC(C)C)C)NCCc1nnc2n1CCCCC2	PC-id_109748127	412.572	FKHRBASNEBKTPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121010
CN=C(NCc1ccccc1OC(C)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111690702	412.572	ZULYLJWZSSOHLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121011
CN=C(NCCCc1nnc2n1CCCCC2)NCCCOC(c1ccccc1)C	PC-id_111403789	412.572	DTXQMVAMKUYLRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121012
CN=C(NCC(COCc1ccccc1)C)NCCCc1nnc2n1CCCCC2	PC-id_109569057	412.572	VILISBVMOKCOKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121013
COc1ccc(cc1)C(CCNC(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111641506	412.572	XUUMZJLSDRNYHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121014
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)C1CC[NH+](CC1)C	PC-id_74843693	412.572	YMQKPHINDXCWIF-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-121015
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CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)Cc1cnn(c1)C	PC-id_112083775	412.575	DRNMLFBYLRFGEZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-121018
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C(C1)n1ccnc1)C	PC-id_109763993	412.575	LRPCPMXXVBAKFL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-121019
c1(C#N)c2CCCCCCCCCCc2sc1NCc1ccc(c(OC)c1)OC	PC-id_1875488,STOCK3S-77491,EMOLS-id_3741280,ZINC22_2246920,MCULE-5792349945	412.588	PBSLVDOMLHXVRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121020
CC(CCNC(=O)C1(C)CCc2c(C(=O)N1Cc1ccccc1)c(c(s2)C)C)C	SCHEMBL14397870,PC-id_71161632	412.588	OXXYCGBWHBVFRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121021
CC(CCNC(=O)C1(C)CCc2c(C(=O)N1Cc1ccccc1)sc(c2C)C)C	PC-id_71161620,SCHEMBL14397844	412.588	IIESZAHGDPYIHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121022
O=C1N(CCCc2c1c(C)c(s2)CC1CCCCC1)Cc1c(C)cc([nH]c1=O)C	PC-id_139563617,SCHEMBL21441697	412.588	DTCCOMJFQOMBSG-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-121023
s1c2CCCCCCc2cc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1	PC-id_56552118	412.588	AHTVMRYWPQYVDR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-121024
s1c2c(CCCCCCCCCC2)c(c1N=CC1C(=O)CC(CC1=O)(C)C)C#N	PC-id_24128243	412.588	XIEPNLPKSIPDSC-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-121025
s1c2CCCCCCCCCCc2nc1NC(=O)COc1ccc(cc1)CC=C	PC-id_30377254	412.588	LGJUJBILHMMPMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121026
s1c2c(CCCCC2)c(c1NC(=O)CCSC1=NCCS1)C(=O)OCC	PC-id_23804531	412.59	HVTRUBYXTBMHHO-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-121027
s1c2c(CCCCC2)c(c1NC(=O)C(SC1=NCCS1)C)C(=O)OCC	PC-id_23935731	412.59	CZPIKULZWYTBGX-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-121028
s1c2c(CCCCC2)c(c1NC(=O)CSC(=S)N1CCCC1)C(=O)OC	PC-id_7605727	412.59	DDIPBOYTKPKKNC-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-121029
s1c2c(CCCCCC2)c(c1NC(=O)CCSC1=NCCS1)C(=O)OC	PC-id_24111300	412.59	CHNJVVXJCMRUAC-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-121030
s1c2c(CCCCCC2)c(c1NC(=O)CSC1=NCCS1)C(=O)OCC	PC-id_5044506	412.59	CWUCXFYUVIELMV-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-121031
CC(Cc1ccc(cc1)[C@H](CN1CC[N@H+](CC1)Cc1nnc2n1CCCCC2)O)C	GD-id_ZINC51533999	412.591	RWBAZXILSHOEEV-QFIPXVFZSA-O	00000000100010110101000000000010000000000000000000000000	31-01-121032
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1nc(nc(c1)C)C(C)C	PC-id_46637285	412.591	WZHWWLMKAAIDSI-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-121033
s1c(C(=O)N2CC[NH+](CC2)Cc2sc3c(n2)cccc3)cc2CCCCCc12	PC-id_9225880	412.591	AWROOPWWMIMBHY-UHFFFAOYSA-O	00000000100010100101000001000010000000000000000000000000	31-01-121034
CCNC(=NCC1(CC1)Sc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111557306	412.595	ZFXUKCWJYJPTEY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-121035
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(C1)CSc1ccccc1	PC-id_111749196	412.595	BGSOMAKIWDYPJC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121036
CN=C(N1CCC(C1)CSc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111748640	412.595	JNLUOIIDDVUMIQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121037
O=C(c1csc2c1CCCCC2)NCC[NH+]1CCN(CC1)c1cccc(c1C)C	GD-id_ZINC04911422	412.611	HEIXNSGZDRHZQP-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-121038
s1c2CCCCCc2c(c1NC(=O)CSc1cc(C(C)(C)C)ccc1C)C#N	PC-id_4532598	412.611	HAXNIPQGKPDWAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121039
s1c2CCCCCCc2cc1C(=O)Nc1ccc(CCN2CC[NH+](CC2)C)cc1	PC-id_52707831	412.611	OVWCNCALOGCGFR-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-121040
CCCCC(COC1(OCC(CCCC)CC)COc2c(OC1)csc2)CC	PC-id_101760772	412.626	ZHABTBIHMGFFBR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121041
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)/C=CCCO[Si](C(C)(C)C)(C)C	PC-id_139755187	412.637	OEZYABMTBISUOH-LUAWRHEFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-121042
[Si](CCOC(=O)C1=C=CC(c2oc(CC(CC1)C(=C)C)c(c2)C)C(=C)C)(C)(C)C	PC-id_85135047	412.637	MXZVPRNQYKZHQR-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-121043
[Si](CCOC(=O)C1=CC=C(c2oc(CC(CC1)C(=C)C)c(c2)C)C(=C)C)(C)(C)C	PC-id_85243141	412.637	QVAYGJMWOQHZID-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-121044
[Si](CCOC(=O)C1=CC=C(c2oc(C[C@H](CC1)C(=C)C)c(c2)C)C(=C)C)(C)(C)C	PC-id_10716636	412.637	QVAYGJMWOQHZID-NRFANRHFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-121045
[Si](CCOC(=O)C1=C=C[C@H](c2oc(C[C@@H](CC1)C(=C)C)c(c2)C)C(=C)C)(C)(C)C	PC-id_10409461	412.637	MXZVPRNQYKZHQR-BJOBELFRSA-N	00000000100000000110000000000010000000000000000000000000	31-01-121046
[Si](CCOC(=O)C1=C=C[C@@H](c2oc(C[C@H](CC1)C(=C)C)c(c2)C)C(=C)C)(C)(C)C	PC-id_10525755	412.637	MXZVPRNQYKZHQR-RWHFHKAHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-121047
[Si](OCC=CCc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2)(C(C)(C)C)(C)C	PC-id_10070295	412.637	MKCBPMALSMJMRF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-121048
Cc1ccc(cc1)S(=O)(=O)c1c2-c(cc1[Si]([Si](C)(C)C)(C)C)ccccc2	PC-id_102577985	412.693	NLTAWXUUQCMFGU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-121049
s1c(N(CCC)CC)c2SSSSSc2c1N(CCC)CC	PC-id_85843282	412.744	MEWSIARUVFKRLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121050
CCCCC1(CCCC)COc2c(OC1)c(sc2[Si](C)(C)C)[Si](C)(C)C	PC-id_140292175	412.777	YJMLOFKCKMAOIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121051
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1)Cl)c2)Cc1ccc(cc1)F	PC-id_50797907,EMOLS-id_32846182,MCULE-6598874123	412.845	AQZVLWORROPCCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121052
CN=C(NCc1nnc2n1CCCCC2)NCc1cc(Cl)ccc1OC(F)F	PC-id_111708647	412.865	FOLRUXWVQWVCQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121053
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(C)o1)c2)Cc1ccc(cc1)Cl	EMOLS-id_32846294,PC-id_50797884,MCULE-9393988750	412.869	WYQJATYSOHJKPB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121054
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccco1)c2)Cc1ccc(cc1)Cl	MCULE-3173738232,EMOLS-id_32846310,PC-id_50797852	412.869	PECACALTFLRWCS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121055
COc1ncc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccc(cc1)Cl	PC-id_134807683	412.869	JLNYUEOWPHMKHR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-121056
Clc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCc2[nH]cnc2)cc1	PC-id_50797931	412.873	LHAXUONXKQTETR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121057
Cc1ccccc1NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(F)(F)Cl	SCHEMBL20541808,PC-id_135363059	412.881	QKPNOIIDISJFRP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121058
COc1ccc(cc1Cl)S(=O)(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-8629612803,EMOLS-id_55716824	412.891	PLZNVBOCFABFFP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-121059
COc1ccc(Cl)cc1S(=O)(=O)N1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_55716822,MCULE-5574159901	412.891	UXWXOJBLXQZKSK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-121060
Clc1ccc(cc1)C(=O)N1CCc2c(CC1)nc(s2)C(=O)Nc1ccncc1	PC-id_97524664	412.893	DUGFRPQGJKOIMZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-121061
Clc1ccc(cc1)C(=O)N1CCc2nc(sc2CC1)C(=O)Nc1cccnc1	ZINC22_96146919,EMOLS-id_44303806,PC-id_97442443	412.893	XKHCAUVKPIMCRV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-121062
Clc1cccc(c1)C(=O)N1CCc2nc(sc2CC1)C(=O)Nc1ccncc1	EMOLS-id_313792826,ZINC22_2055793243	412.893	FBNLQDNSONWJFN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-121063
Clc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)c2cccnc2)c1	ZINC22_96146904,PC-id_97442428,EMOLS-id_44303776	412.893	LLMPRZSKTULHCE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-121064
Clc1ccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)c2cccnc2)cc1	PC-id_97442423,ZINC22_96146899,EMOLS-id_44303766	412.893	HPJDZIRNTGUSLL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-121065
OCC1O[C@H](CC([C@@H]1O)O)c1ccc(c(c1)C(c1cc2-c(c1)ccccc2)C)Cl	PC-id_144227109	412.906	ZRKAPKXPNJADLH-ZPPWWMOTSA-N	00000010100010110110100000000010000000000000000000000000	31-01-121066
O(c1c2c(c(n(c2C)C)C)c(=NC2CCCCC2)ccc1)CC.[Cl](=O)(=O)(=O)O	CHEMBL1375852	412.908	ISAXPQSPIUIDGH-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-121067
Clc1sc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OC)cc1	PC-id_7521907	412.911	GPFYLLLBAOTQQD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-121068
Cc1cn(c2c1C(=O)N(CCC2)CCN(C)C)C=C1c2c(ccc(c2)Cl)NC1=O	PC-id_86702104	412.913	XTQQGXHTWOTEEE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-121069
Brc1[nH]c2c(c1Br)C(=NNc1cccnc1)CCNC2=O	BindingDB-id_111115,PC-id_136660286	413.067	HLRLQPWXEBLKOB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121089
Clc1cc2/C(=C/c3[nH]c4CCCN(C(=O)c4c3C)CCN(C)C)/C(=O)Nc2cc1	PC-id_25114698,SCHEMBL3140316	412.913	FOHKJPFDUFAAHB-VBKFSLOCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-121070
Clc1cc2C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CCN(C)C)C(=O)Nc2cc1	PC-id_68526324	412.913	FOHKJPFDUFAAHB-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-121071
C1CCc2nnc(n2CC1)/C(=C(/CN1CCN(CC1)c1cc(ccc1)Cl)O)/C#N	PC-id_135571917	412.916	XINJWHZQKDXKAO-HNENSFHCSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121072
C1CCc2nnc(n2CC1)/C(=C(/CN1CCN(CC1)c1ccccc1Cl)O)/C#N	PC-id_135779683	412.916	VHYIGEWRUNDMFE-MNDPQUGUSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121073
Clc1ccc(n2ncc(c2C(C)C)C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_60424216	412.916	BLVSPXGWRBRSBZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121074
Clc1cc(N2CCN(CC2)CC(=O)C(=C2N3CCCCCC3=NN2)C#N)ccc1	PC-id_78699385	412.916	JKWGBDYBMJTJJK-UHFFFAOYSA-N	00000011000010110111100000000010000000000000000000000000	31-01-121075
Clc1cc(N2CCN(CC2)CC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)ccc1	PC-id_8444541	412.916	JKWGBDYBMJTJJK-DYTRJAOYSA-N	00000011000010110111100000000010000000000000000000000000	31-01-121076
Clc1c(N2CCN(CC2)CC(=O)C(=C2N3CCCCCC3=NN2)C#N)cccc1	PC-id_78699766	412.916	DTGUSFHXGYCQRW-UHFFFAOYSA-N	00000011000010110111100000000010000000000000000000000000	31-01-121077
Clc1c(N2CCN(CC2)CC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)cccc1	PC-id_8446049	412.916	DTGUSFHXGYCQRW-LTGZKZEYSA-N	00000011000010110111100000000010000000000000000000000000	31-01-121078
Clc1cc(F)c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_20412303	412.929	UFGMWOQFDFVEHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121079
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1F	PC-id_20412227	412.929	OAPMIORNASQNDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121080
CCn1ccc2c1C=CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)Cl	SCHEMBL6774045,PC-id_22737887	412.956	AMDTVOYTZDXGTF-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-121081
Clc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)c(C)cn2C	PC-id_22738092,SCHEMBL6779752	412.956	LMYZJHCQLFWQPS-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-121082
Clc1ccc(C[NH+]2CCn3c(nnc3[C@H](NS(=O)(=O)C)C(C)C)CC2)cc1	PC-id_42422856	412.957	BKOWZYNYORPECF-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-121083
Clc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NS(=O)(=O)C)C(C)C)CC2)cc1	PC-id_42422859	412.957	BKOWZYNYORPECF-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-121084
Clc1ccc(C[NH+]2CCn3c(nnc3C(NS(=O)(=O)C)C(C)C)CC2)cc1	PC-id_74802014	412.957	BKOWZYNYORPECF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-121085
Clc1cn(nc1)CCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_20176990	412.957	RHTNXYRVPLXQNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121086
Cc1ccc(cc1)Cn1nc(c(c1Cl)CNCCc1nnc2n1CCCCC2)C	PC-id_86885008	412.959	JJZRMBROQVRFPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121087
Brc1[nH]c2c(c1Br)C(=NNc1ccccn1)CCNC2=O	BindingDB-id_111107,PC-id_136635306	413.067	SRKVYCDWNKZTOX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121088
Brc1[nH]c2c(c1Br)C(=NNc1ccncc1)CCNC2=O	PC-id_136494315,BindingDB-id_111117	413.067	HEQBUIAKPHPCLO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121090
C1C=C(c2c(C(=O)N1)[nH]c(c2Br)Br)NNc1ccccn1	PC-id_90871773	413.067	QBHRQFZTZRUSAZ-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-121091
C1C=C(c2c(C(=O)N1)[nH]c(c2Br)Br)NNc1ccncc1	PC-id_90826117	413.067	UPQDZHMFRVUYKB-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-121092
C1C=C(c2c(C(=O)N1)[nH]c(c2Br)Br)NNc1cnccc1	PC-id_91391213	413.067	XTQFLKVSDMHQQQ-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-121093
C1CNC(=O)c2c(/C/1=N/Nc1ccccn1)c(c([nH]2)Br)Br	PC-id_135442688,SCHEMBL13341108	413.067	SRKVYCDWNKZTOX-FBCYGCLPSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121094
C1CNC(=O)c2c(/C/1=NNc1ccccn1)c(c([nH]2)Br)Br	PC-id_136384020,SCHEMBL3427127	413.067	SRKVYCDWNKZTOX-GXHLCREISA-N	00000000100000101100000000000010000000000000000000000000	31-01-121095
C1CNC(=O)c2c(/C/1=N/Nc1ccncc1)c(c([nH]2)Br)Br	SCHEMBL13341120,PC-id_135440387	413.067	HEQBUIAKPHPCLO-DNTJNYDQSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121096
C1CNC(=O)c2c(/C/1=NNc1ccncc1)c(c([nH]2)Br)Br	SCHEMBL3424811,PC-id_136383968	413.067	HEQBUIAKPHPCLO-ZBKNUEDVSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121097
C1CNC(=O)c2c(/C/1=N/Nc1cnccc1)c(c([nH]2)Br)Br	PC-id_135499888,SCHEMBL13341119	413.067	HLRLQPWXEBLKOB-DNTJNYDQSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121098
C1CNC(=O)c2c(/C/1=NNc1cnccc1)c(c([nH]2)Br)Br	PC-id_136384036,SCHEMBL3427585	413.067	HLRLQPWXEBLKOB-ZBKNUEDVSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121099
CC(=C)[C@H]1C=CC2=C(N(C=C2S(=NC)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154991352	413.132	IXMPILXFXXHAPA-RLDYEDSHSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121100
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=C[C@@H](NS2(=N)=O)CC4CC4	PC-id_154991298	413.132	QJFRJHXHFDONFB-YHVXIASJSA-N	00100000100000110111000000000010000000000000000000000000	31-01-121101
CC([C@H]1CCC2=C(N(C=C2S(=N)(=O)N1)C)C(=O)NC3=CC(=NC=C3)C(F)F)O	PC-id_148144649	413.133	JXOSGAKAVZWSNM-JYXFWBTJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-121102
CC1=C(C=C(C=C1)CC(=O)C2=C3CC[C@H](NS(=O)(=O)C3=CN2C)[C@@H](C=C)O)C#N	PC-id_160375992	413.141	PGSKGXKRIKFUHT-ZWKOTPCHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121103
CC1=C(C=C(C=C1)CC(=O)C2=C3CC[C@H](NS(=O)(=O)C3=CN2C)[C@H](C=C)O)C#N	PC-id_160375993	413.141	PGSKGXKRIKFUHT-ROUUACIJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121104
CC1=C(C=C(C=C1)CC(=O)C2=C3CCC(NS(=O)(=O)C3=CN2C)C(C=C)O)C#N	PC-id_160871954	413.141	PGSKGXKRIKFUHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121105
I/C/1=CC(=C/C=C/c2c(C(=O)C1=O)nc([nH]2)C(C)C)[N+](=O)[O-]	PC-id_144879759	413.167	HEPCRCMIPCXYMF-RFWXLYLGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-121106
CC1=C(C=CC(=C1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)N=C(N3C)C)(C)C)F	PC-id_160132853	413.211	KSAQOKNLFHIKAJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121107
CC1=C(C=CC(=C1)C(=O)N2CC(C3=NNC(=C3C(=C2C)C(=O)OC(C)C)C)(C)C)F	PC-id_160371791	413.211	ZOBYTODVRMQUJM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121108
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(c1)C)ccccc2	PC-id_10093159	413.487	SGMDIGTYNPFFJF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-121263
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC=C(C=C3)C	PC-id_155203672	413.231	FGZIXNBWRYIJIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121109
CCOC(=O)C(C)(C)C1=NN2CCCN(CC2=C1)C(=O)OCC3=CC(=CC(=C3)C)C	PC-id_161482026	413.231	WILAUGNPTPSRRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121110
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccccc1I	PC-id_90625349	413.233	SXPLDGVJVAXXFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121111
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(cc1)I	PC-id_90625486	413.233	HOERFJYAGKPTQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121112
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(ccc1)I	PC-id_90625487	413.233	HLOSYPHUEMEBOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121113
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCCC(=O)C3=NC=C(C=N3)C	PC-id_155203755	413.243	JEXYRAJLDPOGAS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-121114
C#C/C(=CN(C)C)/C(=O)c1cc2c([nH]1)CCC(C(=C2)OCC(F)F)Br	PC-id_134448899,SCHEMBL20084563	413.256	NMCVZIXCDYAASK-PKNBQFBNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-121115
N#CC(c1nnc2n1CCCCC2)C(=O)c1oc2c(c1)cc(cc2Br)C	MCULE-9652027281,EMOLS-id_257911136	413.268	RQAKUIFDBTZPAZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121116
Ic1ccc(C(=O)CSc2n3CCCCCc3nn2)cc1	PC-id_8320314	413.277	ZSGBFLWBNVQKHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121117
CC1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Br)C	PC-id_139471088,SCHEMBL21337083	413.289	QQWIAFLUJUNZIO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-121118
C[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Br)C	SCHEMBL18352783	413.289	QQWIAFLUJUNZIO-VIFPVBQESA-N	00000000100000101101000000000010000000000000000000000000	31-01-121119
Clc1c(OCCCNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc(Cl)c1	PC-id_56179653	413.298	SOGQNPKRQBHWMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121120
Clc1n(nc(c1C=C(c1n2CCCCCc2nn1)C#N)C)c1ccc(Cl)cc1	PC-id_3932262,EMOLS-id_26092909,MCULE-6828780087	413.303	OOSUPABXKSVQIM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121121
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)c1ccc(Cl)cc1	PC-id_5961691,CoCoCo_3456392	413.303	OOSUPABXKSVQIM-SDNWHVSQSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121122
Clc1n(nc(c1/C=C(c1n2CCCCCc2nn1)/C#N)C)c1ccc(Cl)cc1	PC-id_75460355,CoCoCo_3456393	413.303	OOSUPABXKSVQIM-KAMYIIQDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121123
Clc1n(nc(c1C=C(c1n2CCCCCc2nn1)C#N)C)c1cc(Cl)ccc1	PC-id_84857115	413.303	QEGOIKSQUSHEDG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121124
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)c1cc(Cl)ccc1	PC-id_8863100	413.303	QEGOIKSQUSHEDG-GXDHUFHOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121125
Clc1n(nc(c1C=C(c1n2CCCCCc2nn1)C#N)C)c1c(Cl)cccc1	PC-id_84857102	413.303	PENXPYIYXNSXSE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121126
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)c1c(Cl)cccc1	PC-id_8863076	413.303	PENXPYIYXNSXSE-SDNWHVSQSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121127
c1(NC(=O)c2cc(Cl)cc(Cl)c2OC)sc2c(CCCCC2)c1C(=O)N	CoCoCo_979372,EMOLS-id_1772948,Chemmine_16181,PC-id_1290254,MCULE-2742292805,ZINC22_1111961	413.318	GMERIACARDCOKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121128
c1(NC(=O)c2cc(Cl)c(c(Cl)c2)OC)sc2c(CCCCC2)c1C(=O)N	STOCK5S-60039,ZINC22_2365249,CoCoCo_6154222,MCULE-9534752608,PC-id_1976987,EMOLS-id_1772026	413.318	KJTBDOUXWWYFDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121129
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)N	PC-id_2259449,TIMTEC55219,MCULE-2877407973,EMOLS-id_1773680,CoCoCo_5014652,ZINC22_2922106	413.318	AOBOBFMNQSJRMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121130
Clc1cc(NC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1Cl	PC-id_5152207	413.318	FMNUURIWKRUEIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121131
Clc1c(NC(=O)[C@@H](OC(=O)c2sc3CCCCCc3c2)C)ncc(Cl)c1	PC-id_7649934	413.318	NBMMVYCYYAIRGD-JTQLQIEISA-N	00000000100000101100000000000010000000000000000000000000	31-01-121132
Clc1c(NC(=O)[C@H](OC(=O)c2sc3CCCCCc3c2)C)ncc(Cl)c1	PC-id_7649937	413.318	NBMMVYCYYAIRGD-SNVBAGLBSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121133
Clc1c(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)C)ncc(Cl)c1	PC-id_16509421	413.318	NBMMVYCYYAIRGD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121134
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)nc(c(Cl)c1)C	PC-id_16509384	413.318	UQWAAOWTMGCCHC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121135
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)ncc(Cl)c1C	PC-id_16509398	413.318	DFYGNXUHNCQGKY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121136
O=S(=O)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCn2c(C1)ccn2	PC-id_143775145	413.338	FSPLXNLCTLQFMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121137
O=S(=O)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCn2c(C1)cnc2	PC-id_143775146	413.338	UFNPNDYBBTYYNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121138
O=S(=O)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCn2c(C1)ncc2	PC-id_143775152	413.338	FGNDYOLRHJMBBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121139
C1Cn2cc(nc2OCCN1CC(=O)NCc1cc(ccc1)C(F)(F)F)[N+](=O)[O-]	PC-id_89580523,SCHEMBL14966262	413.351	DPEZQYDWDVFKHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121140
C1Cn2cc(nc2OCCN1CC(=O)NCc1ccc(cc1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14966219,PC-id_89580492	413.351	REDNACIDFMFLHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121141
Brc1n2c(CN(CCC2)C)c(n1)C(=O)CC(CC(C)(C)C)C(=O)NC	PC-id_76657195	413.352	FKVFLEGSQOYFNR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121142
Brc1n2c(CN(CCC2)C)c(n1)C(=O)CC(C(C)(C)C)C(=O)N(C)C	PC-id_76657255	413.352	BTPYYGWIYRXWGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121143
Brc1n2c(CN(CCC2)C)c(n1)C(=O)C[C@@H](CC(C)(C)C)C(=O)NC	PC-id_58135606	413.352	FKVFLEGSQOYFNR-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121144
Brc1n2c(CN(CCC2)C)c(n1)C(=O)C[C@@H](C(C)(C)C)C(=O)N(C)C	PC-id_58135670	413.352	BTPYYGWIYRXWGV-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121145
Brc1sc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)cc1	PC-id_7475073	413.352	PAIUUPQLAOFYOI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-121146
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCc1nnc2n1CCCCC2	PC-id_52337892,ZINC22_51183067	413.364	BFKLVKGRLALRRM-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121147
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCc1nnc2n1CCCCC2	PC-id_52337893,ZINC22_51183068	413.364	BFKLVKGRLALRRM-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121148
Clc1ccc(c(c1)SC(C(=O)NCCc1nnc2n1CCCCC2)C)Cl	MCULE-2419711958,PC-id_53528314,EMOLS-id_44133791	413.364	BFKLVKGRLALRRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121149
Clc1c(NC(=O)CCCSc2n3CCCCCc3nn2)c(Cl)ccc1C	PC-id_7876943	413.364	LTTPSTRGACUNDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121150
CCC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(c1C#N)CCCCC2	PC-id_3699566,STOCK1S-85257,CoCoCo_1743476,SPECS-id_AG-389/14050012,EMOLS-id_4412258,ZINC22_4452538,MCULE-1298021280,TIMTEC440002	413.381	RYQPGFQYUPVXLG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-121151
N#Cc1c(NC(=O)NC(C(F)(F)F)(C(F)(F)F)CC)sc2c1CCCCC2	PC-id_8142473,CoCoCo_6890766,TIMTEC35937,SPECS-id_AG-390/14786011	413.381	ILNBQJXGIKQQFI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-121152
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1C(=O)OC)CC	PC-id_19523818	413.394	ZNYFNSFHIWMBOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121153
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1n(ncc1C(=O)OCC)C	PC-id_19523820	413.394	YKZVULCCYXDERZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121154
COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)c([N+](=O)[O-])cc1OC(F)F	MCULE-3913055077,ZINC22_12829902,CoCoCo_4546257,EMOLS-id_44038066,PC-id_24611847	413.396	IWCVNDHPFFTKME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121155
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_16509453	413.411	NQCHXMSEFUIKOP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121156
c12CN(C(COc1n(nc2C(F)(F)F)C)CS(=O)(=O)C)C(=O)OC(C)(C)C	MCULE-8901764441,EMOLS-id_264817844	413.412	HZUQJEXHKAUPFC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121157
CCn1c(c2CCN(CCc2n1)C(=O)OC(C)(C)C)OS(=O)(=O)C(F)(F)F	SCHEMBL2075868,PC-id_86598381	413.412	XCNRDOUSHGKLKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121158
OC(C1COc2c(SN1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C)C1CC1	SCHEMBL21337353,PC-id_139471355	413.414	YAYUOTAGUKMIFM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-121159
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1cc(ccc1=O)C(F)(F)F	PC-id_24554146	413.414	ANGFLZYTPWEGGO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121160
s1c2c(CCCCC2)c(c1NC(=O)Cn1c(=O)c(ccc1)C(F)(F)F)C(=O)N	PC-id_55542517	413.414	GBCWSILYZWLLQS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121161
CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2cc(C#N)[nH]c12	PC-id_42611160,BindingDB_PC-id_42611160,SCHEMBL4223939,CHEMBL565728	413.417	BNNBRAKOFFJMAM-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-121162
[C-]#[N+]c1[nH]c2c(c1)C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(c(c1)F)F	PC-id_140867653	413.417	WMLFQVLVVHOGTF-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-121163
S(c1n2CCCCCc2nn1)CC(=O)NCC(=O)Nc1c(F)c(F)c(F)cc1	PC-id_7877536	413.417	HESNZEPFRLGJLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121164
Fc1ccc(F)c(CNC(=O)C2CCc3nn(Cc4ccncc4)c(=O)n3CC2)c1	MCULE-5497556407,EMOLS-id_207877089	413.421	TYRWCNZCNSDRFT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-121165
Fc1c(N(C(=O)Cn2nc3n(CCCCC3)c2=O)Cc2ncccc2)ccc(F)c1	PC-id_55888990	413.421	CETFNBYBORFUIO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-121166
c1(C(=O)Nc2onc(c3cc(OC)c(c(OC)c3)OC)c2)c2CCCCCc2on1	TIMTEC545316,PC-id_17254388,ZINC22_7000112,EMOLS-id_16234881,CoCoCo_2401450,MCULE-2737089255	413.424	XGDRUQJPVGERPX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121167
O=c1n2CCCCCc2nn1CC(=O)Nc1nc([nH]n1)c1c(OC)cc(OC)cc1	PC-id_56285852	413.43	QLIKZJARMCJOGJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121168
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1ccc(cc1)c1ccccc1	PC-id_19523671	413.435	NLRIUONAYROCHP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121169
CC[C@@H](C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)C	PC-id_140762743	413.439	XJFHMBJQCHVEMY-XLLULAGJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121170
CC[C@@H]([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)C	SCHEMBL18352923	413.439	XJFHMBJQCHVEMY-IINYFYTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121171
O=C(c1n(C)cc2c1CC[C@@H](NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1)F)F	SCHEMBL18352927	413.439	BVGVWEBLTCIFRU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121172
O=C(c1n(C)cc2c1CC[C@H](NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1)F)F	SCHEMBL18353390	413.439	BVGVWEBLTCIFRU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121173
O=C(c1n(C)cc2c1CCC(NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1)F)F	PC-id_140762771	413.439	BVGVWEBLTCIFRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121174
S(c1n2CCCCCc2nn1)CC(=O)Nc1sc2c(n1)c(F)c(F)c(F)c2	PC-id_7877510	413.44	QBXXPZVKPYHUFJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121175
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2cccnc2)C)cc(F)cc1	PC-id_74781103	413.444	BHCIYRONLKGULN-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-121176
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2cccnc2)C)cc(F)cc1	PC-id_42171873	413.444	BHCIYRONLKGULN-CQSZACIVSA-O	00000000100000111101000000000010000000000000000000000000	31-01-121177
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2cccnc2)C)cc(F)cc1	PC-id_42171875	413.444	BHCIYRONLKGULN-AWEZNQCLSA-O	00000000100000111101000000000010000000000000000000000000	31-01-121178
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(c(OC)c3)F)CCn12	MCULE-4977489192,PC-id_45198948,EMOLS-id_20524099	413.445	IMBZQGWCRBOMEB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121179
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cc(OC)ccc3F)CCn12	EMOLS-id_20464083,MCULE-2737773461,PC-id_45185263,ChEMBL-DNDi_CHEMBL21287494	413.445	PZDUSVDCVSXEHO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121180
Cc1noc(C)c1CNC(=O)C1CCCCc2nn(Cc3cccc(F)c3)c(=O)n12	EMOLS-id_207869740,MCULE-6336392763	413.445	WIESPANUWIUASN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121181
COc1ccc(F)c(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c1	CoCoCo_1207619,CoCoCo_1207618,ChEMBL-DNDi_CHEMBL19829703,ZINC22_14883601,MCULE-3912963690,PC-id_26279387,EMOLS-id_20455319	413.445	NHWSUVNNZQQGRL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121182
COc1ccc(F)c(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1	EMOLS-id_20521083,CoCoCo_1301837,CoCoCo_1301836,ZINC22_20783335,PC-id_29153172,MCULE-2189470375	413.445	WGFICUJCSHDXLK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121183
COc1ccc(F)c(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1	CoCoCo_1219844,CoCoCo_1219843,PC-id_28739092,ZINC22_20210768	413.445	PZDUSVDCVSXEHO-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121184
COc1ccc(F)c(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c1	ZINC22_20210764,CoCoCo_1219841,PC-id_28739090,CoCoCo_1219842	413.445	PZDUSVDCVSXEHO-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121185
COc1cc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)ccc1F	CoCoCo_1212384,MCULE-2668034391,CoCoCo_1212383,PC-id_26280827,ZINC22_14886285,EMOLS-id_20458715	413.445	ZISILHFJYPPTMG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121186
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)ccc1F	PC-id_42355816,CoCoCo_1306192,CoCoCo_1306191,ZINC22_12020627	413.445	IMBZQGWCRBOMEB-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121187
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)ccc1F	ZINC22_12020622,CoCoCo_1306189,CoCoCo_1306190,PC-id_42355812	413.445	IMBZQGWCRBOMEB-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121188
COCc1ccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)o1	CoCoCo_1159443,CoCoCo_1159444,EMOLS-id_20420481,ZINC22_19743867,MCULE-4967384489,PC-id_28312079,ChEMBL-DNDi_CHEMBL14477470	413.445	VESGFBHGURUBKK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121189
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NC2CC2)cc1	EMOLS-id_25387680,PC-id_46049839,MCULE-4909382467	413.445	LILYNOOOWITGOA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-121190
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NC2CC2)C)cc1	PC-id_46049805	413.445	OQHOECGVAVQLJM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-121191
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NC2CC2)C)cc1	PC-id_46159945	413.445	MNWFMTPFKKYKNP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-121192
O=C(C1CCn2c(CC1)nn(c2=O)Cc1c(C)noc1C)Nc1ccc(c(c1)F)C	EMOLS-id_207876731,MCULE-3800679742	413.445	FWXQZFLNLUADMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121193
CC(N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1nc2CCCCCc2s1)C(=O)O	EMOLS-id_334604658,MCULE-9533402499	413.447	SUHXWXQMRBVPSY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121194
CC(N1C(=O)c2ccc(cc2C1=O)C(=O)O)C(=O)Nc1nc2CCCCCc2s1	MCULE-3049779259,EMOLS-id_334604402	413.447	GJSSIESIXSMXDE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121195
s1c2CCCCCc2cc1C(=O)OC(c1oc(nn1)c1ccc([N+](=O)[O-])cc1)C	PC-id_78634974	413.447	SSOXEELMZKWQEN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121196
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1oc(c2c1C(=O)N=NC2=C)C	PC-id_78365440	413.447	GPIATEJZPAHQPE-UHFFFAOYSA-N	00000000100011000101000000010010000000000000000000000000	31-01-121197
s1c2CCCCCc2cc1C(=O)O[C@H](c1oc(nn1)c1ccc([N+](=O)[O-])cc1)C	PC-id_8216184	413.447	SSOXEELMZKWQEN-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121198
s1c2CCCCCc2cc1C(=O)O[C@@H](c1oc(nn1)c1ccc([N+](=O)[O-])cc1)C	PC-id_8216186	413.447	SSOXEELMZKWQEN-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121199
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(c([N+](=O)[O-])cc1)C)C#N	PC-id_45687001	413.447	HFXKLODNKXUXKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121200
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(c([N+](=O)[O-])ccc1)C)C#N	PC-id_41959927	413.447	DALRRPGZSYPZOU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121201
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c([N+](=O)[O-])cccc1)C)C#N	PC-id_16962605	413.447	KRNLVHXLFWHMFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121202
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])c(ccc1)C)C#N	PC-id_40910309	413.447	BCWKETHJYFNFOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121203
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1c([N+](=O)[O-])cccc1)C#N	PC-id_41987440	413.447	WQASEGHJDLKVDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121204
s1c2CCCCCCc2cc1C(=O)OCc1oc(nn1)c1ccc([N+](=O)[O-])cc1	PC-id_7618191	413.447	BEUKZOACYYLMMP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121205
COc1cc(c(cc1)OC)c1n[nH]c(c1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625276	413.45	FVCSJQGOAGVFDD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121206
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)CC(F)(F)F)C	PC-id_7352142	413.454	NVIRFQKRLAFIMN-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-121207
CC(C1CCc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)C	PC-id_139471100,SCHEMBL21337096	413.457	GWCXFJHTWFMUDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121208
O1C(C(OCCCOc2c(OCCC1)c([nH]c2C(=O)OC)C(=O)OC)(C)C)(C)C	PC-id_10993346	413.462	TYBUHKHHQJVKGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121209
C=CCC1COc2c(OC1)c(n(c2C(=O)OCC)Cc1ccccc1)C(=O)OCC	SCHEMBL215969,PC-id_66623571	413.464	SIFXEFUSLZYJQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121210
C=CCC1COOc2c(C1)c(C(=O)OCC)n(c2C(=O)OCC)Cc1ccccc1	PC-id_87079288,SCHEMBL215968	413.464	WFESHVWENOZLGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121211
CCOC(=O)c1c2-c(c(c1N(C(=O)C)C(=O)C)C(=O)OCC)cccc(c2)C(C)C	PC-id_102239327	413.464	GKKVZJUXHREKHS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-121212
c1ccc2-c(cc1)cc(c2)C#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_101273310	413.469	XHIUTVOJTWNPGF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-121213
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C#Cc1c2-c(cc1)ccccc2	PC-id_85966140	413.469	YMJZQRVINZXTGM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-121214
COc1ccccc1CC(=O)N1CCc2nnc(CNC(=O)C3CCOC3)n2CC1	EMOLS-id_20455771,PC-id_45183302,MCULE-3611942544	413.47	WUJFZZQSXWNYPZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121215
COc1ccccc1CC(=O)N1CCc2nnc(CNC(=O)[C@@H]3CCOC3)n2CC1	CoCoCo_1208222,ZINC22_14883963	413.47	WUJFZZQSXWNYPZ-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121216
COc1ccccc1CC(=O)N1CCc2nnc(CNC(=O)[C@H]3CCOC3)n2CC1	CoCoCo_1208223,ZINC22_14883966	413.47	WUJFZZQSXWNYPZ-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121217
COCCNC(=O)CN(C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	EMOLS-id_25388520,MCULE-6164955227,PC-id_46049852	413.47	YJCPUXPEGUNUMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121218
n12CCN(CCc1nnc2CCNC(=O)C1CCCO1)Cc1ccc2c(OCO2)c1	EMOLS-id_20533153,MCULE-5150741530,PC-id_45201048	413.47	JKYAQGPEELANDI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121219
O1CC(CC1)C(=O)NCc1n2CCN(CCc2nn1)C(=O)C(OC)c1ccccc1	PC-id_45930876	413.47	GZUUUOPRZQLVSR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121220
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(N2CCCCC2=O)c(OC)cc1	PC-id_55691893	413.47	YAVLOHDRUWCBDS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121221
O=c1n2CCCCCc2nn1CC(=O)Nc1c(N2CCCC2)ccc(c1)C(=O)OC	PC-id_55579707	413.47	XDVIDFQRXSYRQU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121222
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCOC)C)Cc1ccccc1	PC-id_42855052	413.47	HEAVUIMGRSYPKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121223
O=C(N1C(CCC1)C(=O)Nc1ccc(OC)cc1)Cn1nc2n(CCCCC2)c1=O	PC-id_55868285	413.47	ILQAFWVWVJCNCB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121224
O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cn2nc3n(c2=O)CCCCC3)CC1	CoCoCo_4550975,MCULE-1240586807,CHEMBL4549088,ZINC22_12914214,PC-id_17491023,CoCoCo_4550976,EMOLS-id_15285734	413.47	WUNWTYAHVPQPQA-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-121225
O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2)[C@@H]1CCCO1	ZINC22_20909575,CoCoCo_1319096,CoCoCo_1319098	413.47	JKYAQGPEELANDI-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121226
O=C(NCCc1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2)[C@H]1CCCO1	ZINC22_20909580,CoCoCo_1319095,CoCoCo_1319097	413.47	JKYAQGPEELANDI-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121227
OC(=O)C(CCCCn1c2NC=NCC(O)c2nc1)(C)C(=O)NCc1ccccc1	PC-id_10223478	413.47	JSQLMEBXSBMEES-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121228
O=C(Nc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1)c1ccc(OC)cc1	PC-id_39974649	413.472	YOFKEHLVHSUGNE-XMHGGMMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-121229
O=C(Nc1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1)c1ccc(OC)cc1	PC-id_74669870	413.472	YOFKEHLVHSUGNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121230
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc([N+](=O)[O-])c(NC)cc1	PC-id_46691991	413.473	QHVBGDUXBYYJIF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121231
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(NC)ccc([N+](=O)[O-])c1	PC-id_46534039	413.473	USDJUKLDVUEBDM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121232
O=C(N)C1CCCN(C1)c1ncc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55971349	413.473	YTCBHYZWTLMPOC-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-121233
s1c2c(CCCCC2)c(c1NC(=O)C[N+]1=CN=C2N(C(=O)N(C(=O)C12)C)C)C#N	PC-id_74514293	413.473	YKRABIYBINWDIH-UHFFFAOYSA-O	00000011100010000101000000000110000000000000000000000000	31-01-121234
c1(C(=O)N2CCn3c(CC2)nnc3Cc2cccnc2)cc([nH]n1)c1ccc(cc1)C	EMOLS-id_289981080,MCULE-2246198460,ZINC22_952966499	413.475	KBODTBFCRYSQPW-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-121235
Fc1ccc(CN2CCc3nc(sc3CC2)C(=O)NCc2ccccc2)cc1F	ZINC22_1204225490,EMOLS-id_313792569	413.483	YGYZYLLMVAXLPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121236
S=c1n(C[NH+]2CCN(CC2)c2ccc(cn2)C(F)(F)F)nc2n1CCCCC2	GD-id_ZINC27505739	413.484	VTQYYLPRESLKDM-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-121237
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3c(cccc3F)F)CCn12	PC-id_45166513,EMOLS-id_20532341,MCULE-7978225811	413.485	GQLTWJWIBHACFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121238
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cccc(F)c3F)CCn12	PC-id_45166765,EMOLS-id_20573061,MCULE-1925057627	413.485	ZEJAFSIYQVYBCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121239
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(c(F)c3)F)CCn12	PC-id_45167407,MCULE-3517117433,EMOLS-id_20719841	413.485	DCEOLFDNGDZJIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121240
CC(C(c1nnc2n1CCN(CC2)Cc1ccc(cc1F)F)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL10754567,PC-id_45165558	413.485	CUEWKGSBWGSCHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121241
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(F)c1	PC-id_121358884,SCHEMBL17777957,BindingDB-id_731718	413.485	OFXLOPFRKHLODE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121242
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2	ZINC22_23339331	413.485	ZEJAFSIYQVYBCN-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121243
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2	ZINC22_23339333	413.485	ZEJAFSIYQVYBCN-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121244
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2	ZINC22_12127173	413.485	DCEOLFDNGDZJIP-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121245
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2	ZINC22_12127174	413.485	DCEOLFDNGDZJIP-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121246
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2	ZINC22_20909053	413.485	GQLTWJWIBHACFR-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121247
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2	ZINC22_20909057	413.485	GQLTWJWIBHACFR-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121248
CC([C@H](c1nnc2n1CCN(CC2)Cc1cc(F)cc(c1)F)NS(=O)(=O)C)C	CoCoCo_1348739,CoCoCo_1348738	413.485	FXCXMKZUEWCNKL-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121249
CC([C@@H](c1nnc2n1CCN(CC2)Cc1cc(F)cc(c1)F)NS(=O)(=O)C)C	CoCoCo_1348741,CoCoCo_1348740	413.485	FXCXMKZUEWCNKL-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121250
CCOC(=O)C1=CN(CC(c2c1[nH]nc2C(C)C)(C)C)C(=O)c1ccc(c(c1)F)C	SCHEMBL19702843	413.485	XRLDLUNFGHEDLI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121251
Fc1ccc(cc1)C(=O)C1CCN(C1)CCCN1CCC(c2c(C1=O)ccn2C)O	SCHEMBL6770124,PC-id_22737984	413.485	YIOFVVJATXILMP-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-121252
Fc1ccc(cc1)OC1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)n(C)cc2	PC-id_10740459,SCHEMBL6990900	413.485	LQOYCSSYWYFZJH-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-121253
S(=O)(=O)(NC(c1n2CCN(CCc2nn1)Cc1cc(F)cc(F)c1)C(C)C)C	PC-id_45205687	413.485	FXCXMKZUEWCNKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121254
c1(NC(=O)C=Cc2ccc3c(OCO3)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-7002641274,PC-id_4302596	413.487	MSJRWTYCBCGBBC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121255
CCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1ccccc2	CHEMBL166903,PC-id_10341662	413.487	NEVRBPDBIXCUGZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-121256
CCOC(=O)c1c(NC(=O)/C=Cc2ccc3c(c2)OCO3)sc2c1CCCCC2	CoCoCo_5818059	413.487	MSJRWTYCBCGBBC-LUAWRHEFSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121257
CCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCCC2	PC-id_5570230,ZINC22_2083987,CoCoCo_5818058,EMOLS-id_26497497,TIMTEC318004,SPECS-id_AK-968/12163800	413.487	MSJRWTYCBCGBBC-PKNBQFBNSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121258
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1)cccc2OCC)C(=O)OC	PC-id_40888808	413.487	IANYEVXMTRLYSA-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-121259
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1)cccc2OC)C(=O)OCC	PC-id_40888531	413.487	AYAJTAYJCUDZCZ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-121260
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1cc2OCOc2cc1)C(=O)OC	PC-id_3606694	413.487	YEMYGDKLIJVNKT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121261
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1cc2OCOc2cc1)C(=O)OC	PC-id_5873537	413.487	YEMYGDKLIJVNKT-PKNBQFBNSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121262
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCCC1)c2)Cc1ccc(cc1)F	MCULE-8834658898,EMOLS-id_32846234,PC-id_50797862	413.488	YZGFJDNYYYFGFU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121264
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCCCC1)c2)Cc1ccc(cc1)F	PC-id_50744423,EMOLS-id_32788458,MCULE-5303377359	413.488	JRGNBQVWCQJQFQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121265
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCCCC1)c2)Cc1cccc(F)c1	MCULE-1828270111,EMOLS-id_32632974,PC-id_53007962	413.488	HTVXSQVDXZDYDA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121266
Cn1cc2C(CCN(C(=O)c2c1)CCCN1CCN(CC1)c1ccc(cc1)F)N=O	PC-id_90942982	413.488	LRDIOGVYLKFZCL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121267
Cn1ccc2c1C(CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)F)N=O	PC-id_91612281	413.488	IZELQIDNSFSAMN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121268
Fc1cccc(Cn2nc3CCCCC(C(=O)N4CCN(CC=C)CC4)n3c2=O)c1	EMOLS-id_207869773,MCULE-2918200648	413.488	OEJSMDONPLAANW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121269
Fc1ccc(N2CCN(CC2)CCCN2CCC(=NO)c3c(C2=O)cn(c3)C)cc1	PC-id_59960664	413.488	RFBRDEIRLKQAPR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121270
Fc1ccc(N2CCN(CC2)CCCN2CC/C(=N/O)/c3c(C2=O)cn(c3)C)cc1	SCHEMBL6774951,PC-id_22738027	413.488	RFBRDEIRLKQAPR-FLFQWRMESA-N	00000000100010110101100000000010000000000000000000000000	31-01-121271
Fc1ccc(N2CCN(CC2)CCCN2CCC(=NO)c3c(n(cc3)C)C2=O)cc1	PC-id_10740461	413.488	NSIPQZMQOUGWPB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121272
Fc1ccc(N2CCN(CC2)CCCN2CC/C(=N/O)/c3c(n(cc3)C)C2=O)cc1	SCHEMBL6989849,PC-id_10645412	413.488	NSIPQZMQOUGWPB-GFMRDNFCSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121273
Fc1ccc(N2CCN(CC2)CCCN2CCC(=NO)c3n(ccc3C2=O)C)cc1	PC-id_10621671	413.488	DNFFIQVIPQZMND-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121274
Fc1ccc(N2CCN(CC2)CCCN2CC/C(=N/O)/c3n(ccc3C2=O)C)cc1	SCHEMBL6768552,PC-id_10573775	413.488	DNFFIQVIPQZMND-GFMRDNFCSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121275
Fc1ccc(N2CCN(CCCN3CCC(N=O)c4c(n(cc4)C)C3=O)CC2)cc1	PC-id_53940826	413.488	IXRAEDWNNLQWAQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121276
O/N=C/1CCN(C(=O)c2c1cn(c2)C)CCCN1CCN(CC1)c1ccc(cc1)F	SCHEMBL6770225	413.488	RFBRDEIRLKQAPR-DARPEHSRSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121277
c1(NC(=O)CON=Cc2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C#N	PC-id_1920951,MCULE-2472923101	413.49	ZPTDHBUXFOKIKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121278
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(Cc2ccc3c(OCO3)c2)C1	EMOLS-id_323395986,MCULE-9888825342	413.49	RGYVFGRUSBPRSD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121279
Cc1nn(c2c1CN(C(CO2)COc1ccccc1)S(=O)(=O)c1ccccc1)C	PC-id_136590490,EMOLS-id_323941351	413.49	PYHWPFRHWLCCAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121280
CC(=O)c1cc(c2-c1ccccc2)C(=C1C=[NH+]c2c1cccc2)c1c[nH]c2c1cccc2	PC-id_101220277	413.49	GMZCODCUYOBFGC-UHFFFAOYSA-O	00000011100000100110000001101010000000000000000000000000	31-01-121281
COc1cc2cc([nH]c2c(c1)OC)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-2002741632,CoCoCo_4684179,PC-id_40146416,EMOLS-id_27393850	413.49	BQLBEBAABDRLIC-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-121282
COc1cccc(c1)C1(C)NC(=O)N(C1=O)NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_11772847,MCULE-4384156162,PC-id_16333707	413.49	UWXODRGZBUYWDG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121283
COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cc4c(s3)CCCCC4)C2=O)c1	CoCoCo_3213018,ZINC22_8156806,PC-id_9292142	413.49	UWXODRGZBUYWDG-OAQYLSRUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121284
COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cc4c(s3)CCCCC4)C2=O)c1	CoCoCo_3213019,PC-id_9292141,ZINC22_8156805	413.49	UWXODRGZBUYWDG-NRFANRHFSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121285
COc1ccc(/C=N/OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC	TIMTEC600567,CoCoCo_5995450,STOCK2S-45320,EMOLS-id_1119222,ZINC22_2301811,PC-id_6883478	413.49	ZPTDHBUXFOKIKH-FSJBWODESA-N	00000000100000110100000000000010000000000000000000000000	31-01-121286
COc1cc(/C=NOCC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1OC	CoCoCo_5995451	413.49	ZPTDHBUXFOKIKH-FMCGGJTJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121287
COCCCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_334605682,MCULE-6858046653	413.49	IURLWSGJMYVVEA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121288
COC(=O)c1ccccc1N1CC(CC1=O)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_334603895,MCULE-3087218151	413.49	KFJRJDYLZQXSCK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121289
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCn1c2c(oc1=O)cccc2	PC-id_9301016	413.49	DNPTZBXOZAKRMJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121290
s1c2c(CCCCC2)c(c1NC(=O)CCCn1c2c(oc1=O)cccc2)C(=O)N	PC-id_55334129	413.49	OZVUPYIILAQXCH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121291
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1n(cc(c1)C(=O)C)C)C)C#N	PC-id_9526089	413.49	OMVBHCSYHVSHSD-ZDUSSCGKSA-N	00000000110000000100000000000010000000000000000000000000	31-01-121292
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1n(cc(c1)C(=O)C)C)C)C#N	PC-id_9526091	413.49	OMVBHCSYHVSHSD-CYBMUJFWSA-N	00000000110000000100000000000010000000000000000000000000	31-01-121293
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(NCCO)cccc1)C#N	PC-id_40955632	413.49	NTPJKZDXKWQSBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121294
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(OCC)nccc1)C)C#N	PC-id_55417546	413.49	MFGSLROLEVKVKG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-121295
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1n(cc(c1)C(=O)C)C)C)C#N	PC-id_85031601	413.49	OMVBHCSYHVSHSD-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-121296
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)C)C)C#N	PC-id_3938371	413.49	KAHDMZAIUKWCFQ-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-121297
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccccc1)C(=O)OCC	PC-id_19661746	413.49	MXIMYTOIJPIJDD-LPYMAVHISA-N	00000000100000110100000000000010000000000000000000000000	31-01-121298
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccccc1)C(=O)OCC	PC-id_73636172	413.49	MXIMYTOIJPIJDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121299
s1c2CCCCCc2nc1CNC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)OC	PC-id_3621155	413.49	HIFAPEKPOJEYAU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121300
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCn1c2c(oc1=O)cccc2	PC-id_8408568	413.49	ISZPQLRLMFHVJC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121301
s1c2CCCCCCc2cc1C(=O)O[C@H](C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1)C	PC-id_8943245	413.49	KQAYPIZEMACUEV-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121302
s1c2CCCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1)C	PC-id_8943249	413.49	KQAYPIZEMACUEV-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121303
s1c2CCCCCCc2nc1NC(=O)c1noc(c2c(OC)ccc(OC)c2)c1	PC-id_56211840	413.49	SLZAYNRJOLWKBS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121304
O=C(c1ccc(cc1)Cc1[nH]c2=CC=CCC=c2n1)N1CCC(C1)NS(=O)(=O)N	PC-id_143543899	413.493	OYWDQOPQYSWWHP-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-121305
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(n2[nH]c(=O)cc2nc1C)C)C(=O)N	PC-id_56531566	413.493	UOBONQZNWQAXCQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121306
s1c2c(CCCCC2)c(c1NC(=O)Cc1nn2c(n1)nc(cc2C)C)C(=O)OC	PC-id_55762855	413.493	OTBOLDDQDCCOGT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121307
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CN(C)c1ncccn1)C)C#N	PC-id_55640891	413.493	PHSSOODHYJRRRE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-121308
s1c(C(=O)NCCc2n3CCCCCc3nn2)c(cc1NC(=O)c1occc1)C	PC-id_55535878	413.493	CHXANBUKWHITSS-UHFFFAOYSA-N	00000000101100000101000000000010000000000000000000000000	31-01-121309
S1C(=NC(=O)C1CC(=O)Nc1ccc(OC)cc1)Cc1n2CCCCCc2nn1	PC-id_78678616	413.493	IAJYJAQWWKZYET-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-121310
S1C(=NC(=O)C1CC(=O)Nc1cc(OC)ccc1)Cc1n2CCCCCc2nn1	PC-id_78678612	413.493	NEFNZUZMLGRWSM-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-121311
S1C(=NC(=O)[C@H]1CC(=O)Nc1ccc(OC)cc1)Cc1n2CCCCCc2nn1	PC-id_8375487	413.493	IAJYJAQWWKZYET-OAHLLOKOSA-N	00000011100000110101000000000010000000000000000000000000	31-01-121312
S1C(=NC(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1)Cc1n2CCCCCc2nn1	PC-id_8375493	413.493	IAJYJAQWWKZYET-HNNXBMFYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-121313
S1C(=NC(=O)[C@H]1CC(=O)Nc1cc(OC)ccc1)Cc1n2CCCCCc2nn1	PC-id_8375473	413.493	NEFNZUZMLGRWSM-OAHLLOKOSA-N	00000011100000110101000000000010000000000000000000000000	31-01-121314
S1C(=NC(=O)[C@@H]1CC(=O)Nc1cc(OC)ccc1)Cc1n2CCCCCc2nn1	PC-id_8375480	413.493	NEFNZUZMLGRWSM-HNNXBMFYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-121315
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc(c1C)c1ccc(OC)cc1	PC-id_36464045	413.493	AGFDTWIIPBXHGB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121316
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc(c2c(OCC)cccc2)c1	PC-id_55895732	413.493	TXLMBASYRIMUDH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121317
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1c(n2nc(nc2nc1C)N)C	PC-id_24554101	413.497	ZKOFBBMNGUGERP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121318
FC(COc1ncc(cc1C)Cn1cc2c(n1)C=CCC(C2C(=C)C1CC1)(C)C)F	SCHEMBL19673195	413.503	QZPKXGQJNSJRLN-UHFFFAOYSA-N	00100000100000101111000000000010000000000000000000000000	31-01-121319
CCCCCCc1c2-c(c(c1NC(=O)C)C(=O)OCC)ccc(cc2)CC(=O)OC	PC-id_141580571	413.507	CSMFKAVWIBOJQT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-121320
s1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc2c1ccc(F)c2	PC-id_46534111	413.512	GGSJHSYUXQWNNL-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-121340
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C)C#N	PC-id_2366863	413.508	AHAOZWQISNWFLU-IBGZPJMESA-N	00000000100000110100000000000010000000000000000000000000	31-01-121321
s1c2c(CCCCC2)c(c1NC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C)C#N	PC-id_2366864	413.508	AHAOZWQISNWFLU-LJQANCHMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121322
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(OCC1)c1ccc(F)cc1)C#N	PC-id_46571261	413.508	RMQZHWQWPIYMTL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121323
s1c2c(CCCCC2)c(c1NC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C)C#N	PC-id_4299166	413.508	AHAOZWQISNWFLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121324
COc1ccc(cc1OC)CCN(CCCN1CCC(=O)c2c(C1=O)n(C)cc2)C	SCHEMBL6998115,PC-id_20083189	413.51	MRJQFNRBLGPFOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121325
O=C(NC(C(C)(C)C)C(=O)NC)C(CCc1c2-c(cc1)ccccc2)CC(=O)NO	PC-id_19606563	413.51	WITSNPBIEPNVQZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-121326
O=C(N[C@@H](C(C)(C)C)C(=O)NC)[C@H](CCc1c2-c(cc1)ccccc2)CC(=O)NO	SCHEMBL8481618,PC-id_18395282	413.51	WITSNPBIEPNVQZ-YLJYHZDGSA-N	00000010100000000110000000000010000000000000000000000000	31-01-121327
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_27524950	413.51	DMTJIAPZFCDODZ-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-121328
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)Nc1cc(ccc1)C	PC-id_27525008	413.51	RVYGLORLEKNLEG-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-121329
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)NCc1ccccc1	PC-id_27524932	413.51	SQDJNNHZBLJCFT-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-121330
Cc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)s1	ZINC22_20920218,PC-id_29219920,MCULE-2655845533,EMOLS-id_32389016	413.512	QLQDCYGKLADGLX-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-121331
Cc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)s1	CoCoCo_1475197,MCULE-5413507953,PC-id_26333565,EMOLS-id_20637783,CoCoCo_1475196,ZINC22_14977645	413.512	AHUPLYUUTWMREM-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-121332
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)N)c1ccc(c(c1)C)F	PC-id_89607877,SCHEMBL15001960	413.512	KRROSUSMSLNQDI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121333
CCc1nc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(c(c1)C)F	PC-id_89623215,SCHEMBL15024472	413.512	AEXKSEBSSODMMT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121334
CC(C)c1cc(nn1CC(=O)N1CCc2c(CC1)sc(n2)N)c1ccc(cc1)F	PC-id_89607973,SCHEMBL15002062	413.512	AZINSLDNJLUXQD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121335
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4cccs4)CCn23)cc1	MCULE-3928087261,ZINC22_14966732,ChEMBL-DNDi_CHEMBL57627892,PC-id_26325993,CoCoCo_1456556,CoCoCo_1456557,EMOLS-id_20625669	413.512	WWJVKNOMCXSPBK-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-121336
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1cc(c(s1)C(=O)[O-])C	GD-id_ZINC45774829	413.512	CCWXGBCPRSSDLR-UHFFFAOYSA-M	00000000100100000100000000000010000000000000000000000000	31-01-121337
s1c2c(CCCCC2)c(c1NC(=O)CSC1NC(O)CC(=O)N1)C(=O)OC	PC-id_73630762	413.512	NXQFGBIOPRLYIW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121338
s1c(CN2CCn3c(nnc3CCNC(=O)c3ccc(F)cc3)CC2)c(cc1)C	PC-id_28389157	413.512	ATOVFXHIMVYMSX-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-121339
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(cc3)C(=O)OC)CCn12	EMOLS-id_20441489,PC-id_45180044,MCULE-7139961130,ChEMBL-DNDi_CHEMBL17649936	413.513	LSKDLPFFGQNYGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121341
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccccc3O)CCn12	MCULE-1850019756,EMOLS-id_20493567,PC-id_45192045	413.513	FAPAPOPZRJFFLG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121342
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3ccc(c(C)c3OC)OC)CCn12	ChEMBL-DNDi_CHEMBL32875534,PC-id_45199043,MCULE-2046642204,EMOLS-id_20524539	413.513	XABNFZSALBXSDV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-121343
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccccc3OC)CCn12	MCULE-3881025170,PC-id_45183200,EMOLS-id_20455331	413.513	OPNLLMKCRNPEMB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121344
c1(NC(=S)NC(=O)c2ccc(cc2)C(=O)OC)sc2c(CCCCC2)c1C#N	CoCoCo_5016049,PC-id_4536292,MCULE-2028751114,EMOLS-id_5472378,ZINC22_4135013	413.513	DBBNKUURCSUUJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121345
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccccc1O)CC2	CoCoCo_1261999,ZINC22_12036934,CoCoCo_1262001	413.513	FAPAPOPZRJFFLG-FXAWDEMLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121346
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccccc1O)CC2	CoCoCo_1262005,ZINC22_12036937,CoCoCo_1262003	413.513	FAPAPOPZRJFFLG-PXNSSMCTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121347
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(Cc1ccccc1O)CC2	CoCoCo_1262006,CoCoCo_1262004,ZINC22_12036932	413.513	FAPAPOPZRJFFLG-XLIONFOSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121348
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(Cc1ccccc1O)CC2	ZINC22_12036928,CoCoCo_1262000,CoCoCo_1262002	413.513	FAPAPOPZRJFFLG-YLJYHZDGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121349
CCCCOc1ccc(cc1)C(=O)NCC(=O)NCCc1nnc2n1CCCCC2	GD-id_ZINC42765081	413.513	ASYNKIRDAYRLBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121350
CCCCOc1ccc(C(=O)NCC(=O)N(C)Cc2nnc3n2CCCCC3)cc1	MCULE-7466307947,ZINC22_45063861,PC-id_47023651,EMOLS-id_30673948	413.513	LHNGFBQWALPXQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121351
CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1	PC-id_40144020,EMOLS-id_44061198,CoCoCo_4663521,MCULE-5942953790,ZINC22_32907433	413.513	BAWIYSMTYYPBFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121352
CC([C@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)O)NC(=O)[C@@H]1COCC1)C	CoCoCo_1348254,CoCoCo_1348253,PC-id_42482161	413.513	OGRKVSKBNFEUBW-FXAWDEMLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121353
CC([C@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)O)NC(=O)[C@H]1COCC1)C	CoCoCo_1348255,PC-id_42482157,CoCoCo_1348256	413.513	OGRKVSKBNFEUBW-YLJYHZDGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121354
CC([C@@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)O)NC(=O)[C@@H]1COCC1)C	CoCoCo_1348257,PC-id_42482163,CoCoCo_1348258	413.513	OGRKVSKBNFEUBW-PXNSSMCTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121355
CC([C@@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)O)NC(=O)[C@H]1COCC1)C	CoCoCo_1348260,CoCoCo_1348259,PC-id_42482159	413.513	OGRKVSKBNFEUBW-XLIONFOSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121356
CCN1CCN(CC1)C(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	EMOLS-id_207876626,MCULE-5047896156	413.513	LCPQJAMEDOYWAH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121357
CCOc1ccc(cc1)C(=O)NC(C(=O)NCc1nnc2n1CCCCC2)C(C)C	EMOLS-id_13569536,PC-id_17479553,MCULE-7788586307	413.513	DMERMPKVULZMPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121358
CCOc1ccc(CN2CCN(C(=O)Cn3nc4n(c3=O)CCCCC4)CC2)cc1	EMOLS-id_24064982,PC-id_37679317,CoCoCo_4758470,MCULE-5788067834,ZINC22_30565838	413.513	JYBXPUVDNHKJEJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121359
CCOc1ccc(C(=O)N[C@H](C(=O)NCc2nnc3n2CCCCC3)C(C)C)cc1	PC-id_42021894,CoCoCo_4583381,ZINC22_11542362	413.513	DMERMPKVULZMPJ-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121360
CCOc1ccc(C(=O)N[C@@H](C(=O)NCc2nnc3n2CCCCC3)C(C)C)cc1	ZINC22_11542365,CoCoCo_4583382,PC-id_42021895	413.513	DMERMPKVULZMPJ-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121361
CN1CCC(CC1)NC(=O)C1CCn2c(CC1)nn(c2=O)CCOc1ccccc1	MCULE-9368913943,EMOLS-id_207876659	413.513	KFRRZUSFOFYSPZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121362
COc1ccccc1[C@H](CNC(=O)Cn1nc2n(c1=O)CCCCC2)N1CCCC1	CoCoCo_4757453,ZINC22_32779870,PC-id_40012401	413.513	HTODQZAVVNJGSC-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121363
COc1ccccc1[C@@H](CNC(=O)Cn1nc2n(c1=O)CCCCC2)N1CCCC1	PC-id_40012399,CoCoCo_4757452,ZINC22_32779869	413.513	HTODQZAVVNJGSC-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121364
COc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1	ZINC22_14883613,CoCoCo_1207636,CoCoCo_1207635	413.513	OPNLLMKCRNPEMB-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121365
COc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1	ZINC22_14883615,CoCoCo_1207638,CoCoCo_1207637	413.513	OPNLLMKCRNPEMB-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121366
COc1ccccc1C(N1CCCC1)CNC(=O)Cn1nc2n(c1=O)CCCCC2	MCULE-3964295864,PC-id_42951512,EMOLS-id_24464586	413.513	HTODQZAVVNJGSC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121367
COc1ccc(cc1)C(=O)NCCCC(=O)NCCCc1nnc2n1CCCCC2	PC-id_86884598	413.513	PYPPIFDSEVWNSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121368
COc1cc(C)c(CN2CCc3nnc(CNC(=O)C4CCOC4)n3CC2)cc1C	EMOLS-id_20433861,PC-id_45178255,MCULE-6065292709,ChEMBL-DNDi_CHEMBL16456079	413.513	UVDNRIVPKJUSNX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121369
COc1cc(C)c(CN2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)cc1C	CoCoCo_1177934,CoCoCo_1177932,ZINC22_19837673	413.513	UVDNRIVPKJUSNX-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121370
COc1cc(C)c(CN2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)cc1C	CoCoCo_1177935,ZINC22_19837671,CoCoCo_1177933	413.513	UVDNRIVPKJUSNX-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121371
COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c(OC)c1	EMOLS-id_20425161,MCULE-1458989009,ZINC22_19745375,PC-id_28313121,ChEMBL-DNDi_CHEMBL15141014,CoCoCo_1165866,CoCoCo_1165867	413.513	LOYDGCQLHYUECL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-121372
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)c(OC)c1C	CoCoCo_1306780,CoCoCo_1306779,ZINC22_20785647,PC-id_29154187	413.513	XABNFZSALBXSDV-OAHLLOKOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-121373
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)c(OC)c1C	ZINC22_20785651,CoCoCo_1306781,CoCoCo_1306782,PC-id_29154188	413.513	XABNFZSALBXSDV-HNNXBMFYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-121374
COc1ccc(CN2CCCN(C(=O)Cn3nc4n(c3=O)CCCCC4)CC2)cc1	CoCoCo_4758433,MCULE-8137865438,PC-id_40019087,CoCoCo_4758434,EMOLS-id_24011131,ZINC22_32786719	413.513	AJGUEKONOWEQFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121375
OC1CCN(CC1)Cc1ccc(cc1)CNC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_56555243	413.513	JVYKNZHKXLMZIU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121394
COc1cccc(OC)c1CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1	CoCoCo_1159600,PC-id_28312099,ChEMBL-DNDi_CHEMBL14497686,MCULE-5690036976,CoCoCo_1159599,ZINC22_19743901,EMOLS-id_20420609	413.513	OVHAMVGDCRBPHJ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-121376
COc1cc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc(OC)c1	CoCoCo_1224327,CoCoCo_1224326,ZINC22_20448880,PC-id_28953250,MCULE-5469153422,EMOLS-id_20467229	413.513	IGDQGLOAISBTQL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-121377
COc1ccc(OC)c(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c1	EMOLS-id_20531671,CoCoCo_1316886,ZINC22_20908575,MCULE-1439537499,CoCoCo_1316885,PC-id_29211595,ChEMBL-DNDi_CHEMBL34385482	413.513	HFQRBGCAIHBIQT-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-121378
COCC1CCN(CC1)C(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	MCULE-7227012182,EMOLS-id_207877316	413.513	TXKVDWKLUBUWGU-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-121379
COCCn1nc2CCC(CC(=O)N3CCN(CC3)c3ccccc3)CCn2c1=O	MCULE-4250864871,EMOLS-id_207877388	413.513	WOSFONCXFWBAAG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121380
COC(=O)c1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)cc1	CoCoCo_1188735,ZINC22_19840046,CoCoCo_1188734,PC-id_28394078	413.513	LSKDLPFFGQNYGZ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-121381
COC(=O)c1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)cc1	ZINC22_19840044,PC-id_28394076,CoCoCo_1188732,CoCoCo_1188733	413.513	LSKDLPFFGQNYGZ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121382
COC(=O)c1ccc(OCCN2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	ZINC22_48260902,PC-id_47053443,EMOLS-id_32026674,MCULE-5331038903	413.513	FVBSINXYLXAAMV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121383
n12CCC(CCc1nn(CCOc1ccccc1)c2=O)C(=O)NCCN1CCCC1	EMOLS-id_207876641,MCULE-8290744652	413.513	HCOZCLSLYLLSEL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121384
NC(=O)c1c(NC(=S)NC(=O)c2cc3ccccc3o2)sc2c1CCCCC2	PC-id_20166103,ZINC22_32125110	413.513	AXTCQZANQXDMST-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-121385
O1C(CCC1)CN(Cc1c(O)cccc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_75807293	413.513	GESLZIWPYCHRKN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121386
O1CC(CC1)C(=O)NC(c1n2CCN(CCc2nn1)Cc1ccc(O)cc1)C(C)C	PC-id_45205612	413.513	OGRKVSKBNFEUBW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121387
O1C(CN(CC1)Cc1cc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1)C	PC-id_56085981	413.513	NTDRAOUFSFUWBV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121388
O1C(CN(CC1C)Cc1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1)C	PC-id_55801048	413.513	VJSFTUKJOWHGHP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121389
O1CCN(C(CNC(=O)Cn2nc3n(CCCCC3)c2=O)c2cc(ccc2)C)CC1	PC-id_55659572	413.513	KRHNTXPMIYGSAI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121390
O1CCN(C(CNC(=O)Cn2nc3n(CCCCC3)c2=O)c2ccc(cc2)C)CC1	PC-id_55900580	413.513	OANCJLMJPBTRPA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121391
O1[C@@H](CCC1)CN(Cc1c(O)cccc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_52216034	413.513	GESLZIWPYCHRKN-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121392
O1[C@H](CCC1)CN(Cc1c(O)cccc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_52216035	413.513	GESLZIWPYCHRKN-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121393
O=C(c1c(sc2c1CCCCC2)NC(=O)c1ccccc1O)Nc1nccs1	PC-id_145975712	413.513	VRJXEVBTQSGTJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121395
O(C(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NCc1n2CCCCCc2nn1	PC-id_72684934	413.513	CPDJRPLIGSUKOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121396
O(C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1n2CCCCCc2nn1	PC-id_60225066	413.513	CPDJRPLIGSUKOP-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121397
O=C(N1C(CCC1)c1c(OC)ccc(OC)c1)NCCc1n2CCCCCc2nn1	PC-id_75807295	413.513	IVOHZJFATNTFJT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121398
O=C(N1C(CCC1)c1c(OC)cc(OC)cc1)NCCc1n2CCCCCc2nn1	PC-id_75807296	413.513	FOTDYVOIVAYGDJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121399
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cc1c(OC)cc(OC)cc1	PC-id_46534015	413.513	BWMIGOXGVFPKMR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121400
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)COCc1cc(OC)ccc1	PC-id_46469421	413.513	KHNLWOKQPSMCMQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121401
O=C(N1CCN(CC1)CCc1ccc(OC)cc1)Cn1nc2n(CCCCC2)c1=O	PC-id_56154678	413.513	AFBMSNKRVDWFBF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121402
O=C(N1[C@@H](CCC1)c1c(OC)ccc(OC)c1)NCCc1n2CCCCCc2nn1	PC-id_52216042	413.513	IVOHZJFATNTFJT-SFHVURJKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121403
O=C(N1[C@H](CCC1)c1c(OC)ccc(OC)c1)NCCc1n2CCCCCc2nn1	PC-id_52216043	413.513	IVOHZJFATNTFJT-GOSISDBHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121404
O=C(N1[C@@H](CCC1)c1c(OC)cc(OC)cc1)NCCc1n2CCCCCc2nn1	PC-id_52216044	413.513	FOTDYVOIVAYGDJ-SFHVURJKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121405
O=C(N1[C@H](CCC1)c1c(OC)cc(OC)cc1)NCCc1n2CCCCCc2nn1	PC-id_52216045	413.513	FOTDYVOIVAYGDJ-GOSISDBHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121406
O=C(NC1CCN(CC1)Cc1cc(OC)ccc1)Cn1nc2n(CCCCC2)c1=O	PC-id_55945457	413.513	BXMXKIRREQICBY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121407
O=C(NC1CCN(CC1)Cc1c(OC)cccc1)Cn1nc2n(CCCCC2)c1=O	PC-id_55951994	413.513	XNIZSXMZPYCOOM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121408
O=C(NCCc1n2CCCCCc2nn1)C(NC(=O)c1ccc(OC)cc1)C(C)C	PC-id_55536187	413.513	JODFFNCNOQBRME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121409
O=C(OCc1ccccc1)NCC(=O)N1CCCn2c(C1)c(nc2)CN(C(C)C)C	PC-id_97519331	413.513	QPRNRPXIUDINPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121410
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)c1occc1)C#N	PC-id_2697691	413.513	QSPOLDUHQFHJCO-UHFFFAOYSA-O	00000000101010000101000000000010000000000000000000000000	31-01-121411
c1(C(Cc2ccccc2)NC(=O)c2c3CCCCCc3[nH]n2)n(C)c2c(cccc2)n1	EMOLS-id_323252914,MCULE-1879000766	413.515	CPLCPSFXEAFRCM-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-121412
c1(C(=O)Nc2ccc3c(c2)nc(n3CCc2ccccc2)C)c2CCCCCc2[nH]n1	EMOLS-id_323248828,MCULE-2256777729	413.515	YKQAGMJFJXCMCZ-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-121413
c1(C(=O)Nc2ccc3c(c2)nc(n3C)CCc2ccccc2)c2CCCCCc2[nH]n1	MCULE-7781388194,EMOLS-id_323248827	413.515	MJCYVJVITDMZFV-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-121414
Cc1sc(c(n1)c1ccccc1)NCNS(=O)(=O)c1cnc2n1C=CC=CC2	PC-id_143275581	413.516	PJPWXHSVDWLCEL-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-121415
CC(C(=O)Nc1c(c2c(s1)CCCCC2)C#N)Sc1nnc(o1)c1ccc[nH]1	PC-id_136070748	413.516	VTGVMXIKBOBSDM-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-121416
Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccco1	MCULE-6007802587,CoCoCo_2891130,EMOLS-id_3436327,PC-id_4797814,ZINC22_7698888	413.516	GJLFABUFLRFSQO-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-121417
s1c2CCCCCc2c(c1NC(=O)C(SC1=NN/C(=C/N=CC=C2)/O1)C)C#N	PC-id_24499124	413.516	JZADCQNQMUDQCE-VKAVYKQESA-N	00000011100000000101100000000010000000000000000000000000	31-01-121418
s1c2CCCCCc2c(c1NC(=O)C(SC1=NNC(=C2N=CC=C2)O1)C)C#N	PC-id_74287839	413.516	JZADCQNQMUDQCE-UHFFFAOYSA-N	00000011100000000101100000000010000000000000000000000000	31-01-121419
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccc(nc1C)N1CCOCC1	PC-id_139010507,EMOLS-id_320384586,MCULE-8612653456	413.517	WMYHEJXXLWINMF-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-121420
CC[C@H](NC(=O)Nc1ccc(N2CCOCC2)nc1C)c1nnc2n1CCCCC2	ZINC22_431813478	413.517	WMYHEJXXLWINMF-INIZCTEOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-121421
CC[C@@H](NC(=O)Nc1ccc(N2CCOCC2)nc1C)c1nnc2n1CCCCC2	ZINC22_431813480	413.517	WMYHEJXXLWINMF-MRXNPFEDSA-N	00000000100010101101100000000010000000000000000000000000	31-01-121422
CN=C(N1CCN(CC1)C(=O)c1ccco1)NCCCc1nnc2n1CCCCC2	PC-id_111167613	413.517	VSBDXFRVGVZGLY-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-121423
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(N2CCN(CC2)CC)nc1	PC-id_55744306	413.517	JGJDJQHACGTLJS-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-121424
Cc1cc(C)c(CN2CCc3nnc(Cc4cccnc4)n3CC2)c(c1)n1cccn1	ZINC22_825124491,EMOLS-id_232869211,MCULE-3847341339	413.518	GVZQJXJZYHMOMX-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-121425
CN=C(N1CCN(C(=O)C1)c1cnn(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_109433771	413.52	HSEARSPNRPQFAC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-121426
CCCCCOC(=O)C1CCCCn2c1cc(c2C(=O)c1ccc(cc1)F)CCC	PC-id_70534844,SCHEMBL11197046	413.525	KFJYKJRJUPKTHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121427
c1(c2CCCCCc2sc1NC(=O)C=Cc1ccc(cc1)OC)C(=O)OC(C)C	MCULE-3977304792,PC-id_4185873	413.53	CRKAFBPJFMTFSW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121428
c1(NC(=O)C=Cc2ccc(cc2)OC)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_4225726,MCULE-4576561064	413.53	UZXPZVRSUBJLDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121429
CCOC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)OC)sc2c1CCCCCC2	PC-id_97636246,CoCoCo_5819783	413.53	UZXPZVRSUBJLDQ-QINSGFPZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121430
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CCCCCC2	CoCoCo_5819782,EMOLS-id_26498037,SPECS-id_AK-968/12571068,PC-id_6041903,TIMTEC493274,ZINC22_2745657	413.53	UZXPZVRSUBJLDQ-NTCAYCPXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121431
COc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2	CoCoCo_5817973	413.53	CRKAFBPJFMTFSW-KAMYIIQDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121432
COc1ccc(c(c1)OC)NS(=O)(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	CHEMBL1836992,SCHEMBL15878698,PC-id_53483977	413.53	GRTLQZYNZDNLQS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-121433
COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCC3)cc1	EMOLS-id_26497475,TIMTEC107310,CoCoCo_5817972,SPECS-id_AK-968/12162132,ZINC22_2083740,PC-id_1742623	413.53	CRKAFBPJFMTFSW-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121434
s1c2CCCCCc2cc1C(=O)OCC(=O)c1ccc(CCCNC(=O)C)cc1	PC-id_7630377	413.53	VPMAAGKZEDDVRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121435
s1c2CCCCCc2cc1C(=O)OCC(=O)c1ccc(NC(=O)CC(C)C)cc1	PC-id_7351997	413.53	UWXNJGILSZHCCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121436
s1c2CCCCCc2cc1C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1	PC-id_7432276	413.53	YIGVFNXMNODWGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121437
s1c2CCCCCc2cc1C(=O)OCC(=O)N(C1=CCCCC1)Cc1occc1	PC-id_7630374	413.53	OZWUDMWZNKKSLI-UHFFFAOYSA-N	00000000101011000100000000000010000000000000000000000000	31-01-121438
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1	PC-id_7352079	413.53	PATMSJGUBBAKSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121439
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(OC)cc1)C(=O)OCCC	PC-id_5078104	413.53	LEGLPJIXSGPHDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121440
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(OC)cc1)C(=O)OCCC	PC-id_6264341	413.53	LEGLPJIXSGPHDA-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121441
Cc1ccc(cc1)/C(=C/NS(=O)(=O)c1ccc(cc1)C)/c1c2-c(ccccc2)cc1	PC-id_134950656	413.531	VLDLBMCJQJUKOS-ITYLOYPMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-121442
Cc1ccc(cc1)/C(=CNS(=O)(=O)c1ccc(cc1)C)/c1ccc2-c1ccccc2	PC-id_102367275	413.531	VLDLBMCJQJUKOS-NLRVBDNBSA-N	00000010100000110110000000000010000000000000000000000000	31-01-121443
Cc1cccc(c1)C(=CNS(=O)(=O)c1ccc(cc1)C)c1ccc2-c1ccccc2	PC-id_142734118	413.531	ACOKSCOXQASYQC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-121444
Cc1ccc(cc1)C(=CNS(=O)(=O)c1ccc(cc1)C)c1ccc2-c1ccccc2	PC-id_142734121	413.531	VLDLBMCJQJUKOS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-121445
CC(CCC=C(C)C)CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1	MCULE-4574966894,EMOLS-id_20497557,PC-id_45192940	413.531	SSJMTCBIBDYNSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121446
CC(=CCC[C@@H](C)CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1)C	CoCoCo_1267708,ZINC22_12041271,PC-id_42372204,CoCoCo_1267710	413.531	SSJMTCBIBDYNSR-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121447
CC(=CCC[C@H](C)CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1)C	PC-id_42372199,CoCoCo_1267709,CoCoCo_1267707,ZINC22_12041267	413.531	SSJMTCBIBDYNSR-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121448
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(F)cccc1)C#N	PC-id_2697613	413.531	SZAFAILHHXYPTP-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-121449
s1c2CCCCCc2nc1NC(=O)c1c(SCc2ccc(F)cc2)nccc1	PC-id_55758227	413.531	GDWRGDXLPLHDAY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-121450
CCN(CC(=O)Nc1ccc(NC(=O)C)cc1)C(=O)c1cc2c(s1)CCCCC2	MCULE-1317500764,CoCoCo_3338845,ZINC22_10755552,PC-id_41648698,EMOLS-id_42758083	413.533	DRLJEZIADLZFBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121451
CN1CCN(CC1)C(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccccc1O	PC-id_145973748	413.533	VDYXYRVTGGABFJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121452
COc1cccc(c1)CC(=O)N1CCc2c(CC1)nc(s2)C(=O)N1CCCCC1	PC-id_97524704	413.533	SOGPCBMLEMHSFB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121453
COc1ccc(cc1)CC(=O)N1CCc2c(CC1)nc(s2)C(=O)N1CCCCC1	PC-id_97524705	413.533	XFHFDFRFHYECCQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121454
COc1ccccc1N1CCN(CC1)CCC(=O)c1cc2c(s1)CCCC(=O)N2	PC-id_21471961,SCHEMBL8916897	413.533	HNSBCQRLXCADFV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121455
COc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC	CoCoCo_3584014,ZINC22_3585738,EMOLS-id_3583203,CoCoCo_3584013,PC-id_2698932,MCULE-3013213017	413.533	BRRJFSKXHPKXPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121456
O=C(C[C@@H](NC(=O)c1ccccc1)C)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_30754604,CoCoCo_3932062	413.533	KMILWEOBSDXSMR-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121457
O=C(C[C@H](NC(=O)c1ccccc1)C)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_30754608,CoCoCo_3932063	413.533	KMILWEOBSDXSMR-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121458
O=C(CC(NC(=O)c1ccccc1)C)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_43924110,MCULE-2313423583,PC-id_45844492	413.533	KMILWEOBSDXSMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121459
s1c2CCCCCc2cc1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1	PC-id_55504009	413.533	KVZOQYUPZOIXQB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121460
s1c2CCCCCc2cc1C(=O)Nc1ccc(NC(=O)NCC2OCCC2)cc1	PC-id_55527125	413.533	UGFFRLOCQDPQQL-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-121461
s1c2CCCCCc2cc1C(=O)N(CCC(=O)Nc1ccc(cc1)C(=O)N)CC	PC-id_24670488	413.533	NAHHCJSVHAWCJX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121462
s1c2CCCCCc2cc1C(=O)NN=C(c1ccc(OCC(=O)N(C)C)cc1)C	PC-id_78620796	413.533	GSGHWYZTTVZSPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121463
s1c2CCCCCc2cc1C(=O)N/N=C(c1ccc(OCC(=O)N(C)C)cc1)/C	PC-id_8159509	413.533	GSGHWYZTTVZSPI-HAHDFKILSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121464
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(CN2CCOCC2)ccc1	PC-id_56472012	413.533	YCDUNWYDOIGGQX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121465
s1c2CCCCCc2cc1C(=O)NNC(=O)CC(NC(=O)C)c1ccc(cc1)C	PC-id_46817720	413.533	PVLAAGQJQIBTQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121466
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)C(=O)N	PC-id_52894712	413.533	OOLYTFBKQJTDOC-SFHVURJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121467
s1c2c(CCCCC2)c(c1NC(=O)[C@H](NC(=O)c1ccccc1)C(C)C)C(=O)N	PC-id_52894713	413.533	OOLYTFBKQJTDOC-GOSISDBHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121468
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1c(n(c(c1)C)CC)C)C)C#N	PC-id_8993856	413.533	RBUCFJVXPHNPOV-HNNXBMFYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-121469
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1c(n(c(c1)C)CC)C)C)C#N	PC-id_8993857	413.533	RBUCFJVXPHNPOV-OAHLLOKOSA-N	00000000110000000100000000000010000000000000000000000000	31-01-121470
s1c2CCCCCc2c(c1NC(=O)C(Nc1ccc(OCCOC)cc1)C)C#N	PC-id_55684125	413.533	VNFWQHBZRHXEKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121471
s1c2CCCCCc2c(c1NC(=O)CN(C(c1ccc(OC)cc1)CO)C)C#N	PC-id_60309134	413.533	HXYAXIOJMXXCSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121472
s1c2CCCCCc2c(c1NC(=O)CN(Cc1c(OC)cc(OC)cc1)C)C#N	PC-id_2699081	413.533	GADOJJUJGBRJBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121473
s1c2CCCCCc2c(c1NC(=O)CN(Cc1c(OC)c(OC)ccc1)C)C#N	PC-id_2699309	413.533	XGGGZWAPRXCDOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121474
s1c2c(CCCCC2)c(c1NC(=O)CN(CC1OCCC1)Cc1occc1)C#N	PC-id_47537467	413.533	ITWUAWZMJQLOST-UHFFFAOYSA-N	00000010101000000100000000000010000000000000000000000000	31-01-121475
s1c2c(CCCCC2)c(c1NC(=O)C(NC(=O)c1ccccc1)C(C)C)C(=O)N	PC-id_60387940	413.533	OOLYTFBKQJTDOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121476
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(n(c(c1)C)CC)C)C)C#N	PC-id_84895337	413.533	RBUCFJVXPHNPOV-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-121477
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(n(C(C)C)c(c1)C)C)C#N	PC-id_24379432	413.533	GNMMENBANGTVLH-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-121478
s1c2CCCCCCc2cc1C(=O)NNC(=O)C[C@H](NC(=O)C)c1ccccc1	PC-id_9441642	413.533	XNNGUUGURMDMCK-SFHVURJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121479
s1c2CCCCCCc2cc1C(=O)NNC(=O)C[C@@H](NC(=O)C)c1ccccc1	PC-id_9441645	413.533	XNNGUUGURMDMCK-GOSISDBHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121480
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCNC(=O)c1cc(ccc1)C	PC-id_24409818	413.533	UFBAPEVJOZXUGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121481
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCNC(=O)c1c(cccc1)C	PC-id_9089398	413.533	KAKGJQCNBVFFFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121482
s1c2CCCCCCc2cc1C(=O)NNC(=O)CC(NC(=O)C)c1ccccc1	PC-id_85009908	413.533	XNNGUUGURMDMCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121483
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(c(cc1)C)C	PC-id_24553561	413.533	TXHZTUXVEKWARP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121484
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(cc(c1)C)C	PC-id_24643150	413.533	VQPXRRCBHZFMBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121485
s1c2CCCCCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1ncccc1	PC-id_24678233	413.533	MHKZFTHDJRXPDE-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-121486
CN=C(N1CCN(CC1)c1ccccc1F)NCCCc1nnc2n1CCCCC2	PC-id_111148751	413.535	BWLPRFNEHOIEPX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121487
CN=C(N1CCN(CC1)c1ccc(cc1)F)NCCCc1nnc2n1CCCCC2	PC-id_111165465	413.535	IDMQEYLSWQHUHO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121488
c
(=NC(=O)CCC(=O)N2CCN(CC2)c2ccccn2)/sc2c(CCCCC2)[nH]1	EMOLS-id_30502617,PC-id_49653811,EMOLS-id_46526249,STOCK6S-96450,ZINC22_40267486,MCULE-1471939617	413.536	OLFNYGZALQIMBJ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-121489
Cc1cc2c(s1)CCC(=O)N(C2=O)CCCCN1CCN(CC1)c1ncccn1	SCHEMBL9038643,PC-id_19881042	413.536	RBBHKEYPTDJQPH-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-121490
COCCC(=O)NC(c1nnc2n1CCN(CC2)Cc1cc2c(s1)cccc2)C	ChEMBL-DNDi_CHEMBL14020831,PC-id_45174447	413.536	UNDQUIIHOURTIB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121491
COCCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1cc2c(s1)cccc2)C	CoCoCo_1155215,CoCoCo_1155214	413.536	UNDQUIIHOURTIB-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121492
COCCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1cc2c(s1)cccc2)C	CoCoCo_1155217,CoCoCo_1155216	413.536	UNDQUIIHOURTIB-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121493
N#CCCn1nc(c(c1C)CCC(=O)NNC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_44063733,CoCoCo_4675217,MCULE-3628767077,PC-id_31533640	413.536	PTZULSSBMBTWMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121494
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1onc(c1)C)C#N	PC-id_30148840	413.536	OVOAOGQLOIERLY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121495
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(C(=O)NC2CCCC2)cccc1	PC-id_7876586	413.536	HJNWUMMKQAHBGN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121496
S(CC(=O)N1CCC(CC1)C(=O)Nc1ccccc1)c1n2CCCCCc2nn1	PC-id_36540148	413.536	PCNDOYSJGHINTD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121497
c1(C(=O)NCc2cscn2)cn2c(CCN(C(C)Cn3c(C)cc(C)n3)CC2)n1	EMOLS-id_336489913,MCULE-3684959080	413.54	FWRBWYMAHSIJAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121498
Cc1cc(C)n(C[C@H](C)N2CCc3nc(C(=O)NCc4cscn4)cn3CC2)n1	ZINC22_1940195138	413.54	FWRBWYMAHSIJAM-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121499
Cc1cc(C)n(C[C@@H](C)N2CCc3nc(C(=O)NCc4cscn4)cn3CC2)n1	ZINC22_1940195140	413.54	FWRBWYMAHSIJAM-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121500
Cc1cc(nc([nH+]1)C(C)C)N1CCN(CC1)C(=O)NCc1nnc2n1CCCCC2	GD-id_ZINC45571230	413.54	JFWDJWXZIYYEKW-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-121501
s1c2c(CCCCCC2)c(c1NC(=O)CSCC(=O)OCC)C(=O)OCC	PC-id_3423270	413.551	GSIQCWBCYNCGMC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-121502
S1(=O)(=O)C[C@H](N(CC)C(=O)[C@H](OC(=O)c2sc3CCCCCc3c2)C)CC1	PC-id_8254861	413.551	JBHGDJQBUAZFBF-UKRRQHHQSA-N	00000010100000000100000000000010000000000000000000000000	31-01-121503
S1(=O)(=O)C[C@@H](N(CC)C(=O)[C@H](OC(=O)c2sc3CCCCCc3c2)C)CC1	PC-id_8254867	413.551	JBHGDJQBUAZFBF-HIFRSBDPSA-N	00000010100000000100000000000010000000000000000000000000	31-01-121504
S1(=O)(=O)C[C@H](N(CC)C(=O)[C@@H](OC(=O)c2sc3CCCCCc3c2)C)CC1	PC-id_8254868	413.551	JBHGDJQBUAZFBF-DZGCQCFKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-121505
S1(=O)(=O)C[C@@H](N(CC)C(=O)[C@@H](OC(=O)c2sc3CCCCCc3c2)C)CC1	PC-id_8254875	413.551	JBHGDJQBUAZFBF-ZFWWWQNUSA-N	00000010100000000100000000000010000000000000000000000000	31-01-121506
S1(=O)(=O)CC(N(CC)C(=O)C(OC(=O)c2sc3CCCCCc3c2)C)CC1	PC-id_24496544	413.551	JBHGDJQBUAZFBF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-121507
S1(=O)(=O)CC(N(CC)C(=O)COC(=O)c2sc3CCCCCCc3c2)CC1	PC-id_55309974	413.551	WEQKTZLMORYRSK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-121508
c1ccc2-c(cc1)c(cc2)[S+](c1ccc2-c1ccccc2)c1ccc2-c1ccccc2	PC-id_101721339	413.553	OESLMPOEVKPSQV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-121509
O=C(c1ccc(cc1)COC1CCCCCc2c1nnn2C(C)(C)C)OC(C)(C)C	PC-id_118284561,SCHEMBL16980282	413.553	CRLLCYISQNDICI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121510
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)CC	PC-id_55395712	413.555	PTFIVUAGXJZTQN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-121511
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCCc2c1)C	PC-id_26040079	413.555	OUOMVSCRGIWMGL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-121512
COc1cccc(NC(=O)c2nc3CCN(Cc4sccc4C)CCc3s2)c1	EMOLS-id_313792061,ZINC22_1204019349	413.556	CJVDADMYBCOTDO-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-121530
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(cc3)OC(C)C)CCn12	ChEMBL-DNDi_CHEMBL15207220,EMOLS-id_20425611,PC-id_45176354,MCULE-1713166477	413.556	SGMJPQOJLBMCSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121513
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(c(C)c3C)OC)CCn12	EMOLS-id_20485251,PC-id_45190131,ChEMBL-DNDi_CHEMBL25033474,MCULE-2168032077	413.556	CUWGQUCIJGOYPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121514
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(cc3)CC)CCn12	ChEMBL-DNDi_CHEMBL14898203,PC-id_45175860,EMOLS-id_20423465,MCULE-2333608019	413.556	MIIFBBWZSATLIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121515
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3cc(C)cc(C)c3)CCn12	PC-id_45175737,MCULE-3511709501,EMOLS-id_20422983,ChEMBL-DNDi_CHEMBL14825968	413.556	VYCKYCQVVNRZER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121516
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(CC(C)CC/C=C(/C)C)CCn12	EMOLS-id_20641735,ChEMBL-DNDi_CHEMBL62389502,PC-id_45226505,MCULE-6218279281	413.556	AZWYUZJTAYIZQH-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-121517
Cc1ccc(S(=O)(=O)c2ccc(CSc3nnc4n3CCCCC4)cc2)cc1	ZINC22_32324505,EMOLS-id_36999058,MCULE-2515724346,PC-id_39530604	413.556	DUDBPRBWYYBIQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121518
CCc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)COC)n3CC2)cc1	PC-id_28312739,ZINC22_19744832,CoCoCo_1163403,CoCoCo_1163402	413.556	MIIFBBWZSATLIT-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121519
CCc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)COC)n3CC2)cc1	ZINC22_19744830,CoCoCo_1163401,PC-id_28312738,CoCoCo_1163400	413.556	MIIFBBWZSATLIT-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121520
CC(=CCC[C@H](C)CN1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1)C	CoCoCo_1481329,CoCoCo_1481327,PC-id_26336022,ZINC22_14980538	413.556	AZWYUZJTAYIZQH-KRWDZBQOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-121521
CC(=CCC[C@@H](C)CN1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1)C	CoCoCo_1481330,CoCoCo_1481328,PC-id_26336024,ZINC22_14980541	413.556	AZWYUZJTAYIZQH-QGZVFWFLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-121522
CCN(Cc1ccccc1)CCNC(=O)C1CCCCc2n1c(=O)n(n2)CC(C)C	MCULE-5977998774,EMOLS-id_207869418	413.556	PYCPWAOLGNNPIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121523
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(OC(C)C)cc1)CC2	CoCoCo_1166471,CoCoCo_1166472,ZINC22_11787173	413.556	SGMJPQOJLBMCSJ-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121524
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(OC(C)C)cc1)CC2	ZINC22_11787172,CoCoCo_1166470,CoCoCo_1166469	413.556	SGMJPQOJLBMCSJ-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121525
COc1cc(C)c(cc1C)CN1CCn2c(CC1)nnc2[C@H](NC(=O)C)CC(C)C	CoCoCo_1132209,CoCoCo_1132208	413.556	BALFONGPCBZKBD-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121526
COc1cc(C)c(cc1C)CN1CCn2c(CC1)nnc2[C@@H](NC(=O)C)CC(C)C	CoCoCo_1132211,CoCoCo_1132210	413.556	BALFONGPCBZKBD-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121527
COc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)c(C)c1C	CoCoCo_1250130,ZINC22_20455598,CoCoCo_1250129	413.556	CUWGQUCIJGOYPV-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121528
COc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)c(C)c1C	ZINC22_20455596,CoCoCo_1250127,CoCoCo_1250128	413.556	CUWGQUCIJGOYPV-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121529
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)cc(C)c1)CC2	ZINC22_19744691,PC-id_28312644,CoCoCo_1162774,CoCoCo_1162773	413.556	VYCKYCQVVNRZER-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121531
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)cc(C)c1)CC2	ZINC22_19744693,CoCoCo_1162772,PC-id_28312645,CoCoCo_1162771	413.556	VYCKYCQVVNRZER-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121532
O=C(N1CCNCC1)NCc1ccc(cc1C)C(=[N+]1CCCCc2c1ccs2)O	PC-id_142931021	413.556	NVTDAITUYGFLAY-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-121533
O=C(NC(c1n2CCN(CCc2nn1)Cc1c(cc(OC)c(c1)C)C)CC(C)C)C	PC-id_45170489	413.556	BALFONGPCBZKBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121534
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCc1sc2c(n1)cccc2	PC-id_29911369	413.556	GGTDYSSKIBJCRE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121535
s1c2c(CCCCC2)c(c1NC(=O)CCCc1sc2c(n1)cccc2)C(=O)N	PC-id_52894714	413.556	GWHBZUFUKQKXQV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121536
s1c2CCCCCc2c(c1NC(=O)CCSc1ccc(NC(=O)C)cc1)C#N	PC-id_8759996	413.556	FZJWEHWVGQFXRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121537
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1ccc(NC(=O)C)cc1)C)C#N	PC-id_8948771	413.556	HJHFKUNUYMVDTP-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121538
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1ccc(NC(=O)C)cc1)C)C#N	PC-id_8948778	413.556	HJHFKUNUYMVDTP-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121539
s1c2CCCCCc2c(c1NC(=O)C(Sc1ccc(NC(=O)C)cc1)C)C#N	PC-id_43014993	413.556	HJHFKUNUYMVDTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121540
s1c2CCCCCc2nc1NC(=O)Cc1nc(sc1)COc1ccc(cc1)C	PC-id_16605146	413.556	DGJBLFKCYZUUER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121541
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1sc2c(n1)cccc2	PC-id_9441692	413.556	WOFWQTPIKOGLAN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121542
s1c2CCCCCCc2cc1C(=O)NNC(=O)CSCc1ccc(cc1)C#N	PC-id_55741048	413.556	HFJCIXNWCYIUEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121543
Cc1ccc(c2csc(NC(=O)CSc3nnc4n3CCCCC4)n2)cc1C	EMOLS-id_43775476,CoCoCo_3081432,MCULE-9724827945,ZINC22_6097140,PC-id_7876701	413.56	SOAORNYUXQAMDI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121544
Cc1ccc(C)c(c2csc(NC(=O)CSc3nnc4n3CCCCC4)n2)c1	MCULE-7916266685,CoCoCo_3081727,EMOLS-id_11801992,ZINC22_6097511,PC-id_7876940	413.56	KPIRNTZODGJURZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121545
CCc1ccc(c2csc(NC(=O)CSc3nnc4n3CCCCC4)n2)cc1	CoCoCo_3081747,MCULE-7008973467,PC-id_7876981,EMOLS-id_11805449,ZINC22_6097578	413.56	AWQKAXPTJAGUOZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121546
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccco1)N1CCCCC1	PC-id_111304401	413.56	QHUAUKIZXHCAND-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-121547
CCNC(=NCC(c1ccco1)N1CCCC1)NCCc1nnc2n1CCCCC2	PC-id_111008857	413.56	OAKQHVVTHHGJII-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-121548
CC(=O)N(c1cccc(C)c1)c1nc(CSc2nnc3n2CCCCC3)cs1	ZINC22_6096938,PC-id_7876573,EMOLS-id_11846431,CoCoCo_3081333,MCULE-9067802985	413.56	LUOZULAUPMJODF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121549
CN=C(NCC(c1ccco1)N1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111007861	413.56	UFTGUOZNXTXLFL-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-121550
CN=C(NCC(c1ccco1)N1CCCCC1)NCCc1nnc2n1CCCCC2	PC-id_111303805	413.56	MPUINNZYPNRPPI-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-121551
C[N@@H+](Cc1c(nc2n1ccs2)C(=O)N1CCCC1)Cc1[nH]nc2c1CCCCC2	GD-id_ZINC19300367,GD-id_ZINC12298104,PC-id_28133668	413.56	DIOONQBYMHNSRS-UHFFFAOYSA-O	00000010100000000101000100000010000000000000000000000000	31-01-121552
O=C(Nc1nc2c(s1)CCCCC2)CSc1nncn1c1ccc(c(c1)C)C	PC-id_112808610	413.56	YWGJULGPFPEGFX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121553
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C1CC1)CC=C)C#N	PC-id_19726892	413.56	RNCWSBUOWVYFGO-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-121554
S(c1n2CCCCCc2nn1)Cc1nc(sc1)CC(=O)Nc1ccc(cc1)C	PC-id_7877293	413.56	OCHFSITYNAJJEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121555
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCc2n(C1)nc(n2)CC	PC-id_112080249	413.563	CPQYPYBYZTVFTN-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-121556
CN=C(NC1CCc2n(C1)nc(n2)C(C)C)NCCCc1nnc2n1CCCCC2	PC-id_112080255	413.563	LTOCDHDVKYUZPB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-121557
CN=C(NC1CCCN(C1)c1cnn(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_112081831	413.563	LZTPDXLEUZYKIW-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-121558
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_1741441,CoCoCo_5816149,EMOLS-id_4094218,MCULE-8287496518,SPECS-id_AK-968/12096127,ZINC22_2082220,TIMTEC506148	413.573	VOIDCJKKADCMAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121559
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-3338676138,CoCoCo_5815824,EMOLS-id_4094224,ZINC22_2082047,PC-id_1741297,SPECS-id_AK-968/11991908,TIMTEC136328	413.573	DXVFNHIUWRCBIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121560
c1(NC(=O)c2ccccc2)sc2c(CCCCCCCCCC2)c1C(=O)OCC	EMOLS-id_4094222,CoCoCo_6813192,PC-id_4391121,TIMTEC338198,ZINC22_5333640,MCULE-8677514590	413.573	NOYYELLIRFOYRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121561
CC(Cc1ccc(cc1)C(NC(=O)COC(=O)c1cc2c(s1)CCCCC2)C)C	MCULE-8597697049,EMOLS-id_24168291,PC-id_42899189	413.573	ZBYDPZSTZWRDCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121562
CC(C)Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1	CoCoCo_2861459,PC-id_25686865,ZINC22_13040114	413.573	ZBYDPZSTZWRDCU-QGZVFWFLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121563
CC(C)Cc1ccc([C@H](C)NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1	CoCoCo_2861460,ZINC22_13040115,PC-id_25686866	413.573	ZBYDPZSTZWRDCU-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121564
O=C(c1cc2c(s1)CCCCC2)Nc1cccc(c1C)C1OC(C(O1)(C)C)(C)C	PC-id_66941145,SCHEMBL1204429	413.573	KSKZDCDNTJUMRR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121565
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C	PC-id_16509410	413.573	ZRRCGUSMXSPCAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121566
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OC(C)C	PC-id_4425897	413.573	YTWRLYSDVLNWRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121567
COc1cccc(CNC(=O)c2nc3CCN(CC4CCCCC4)CCc3s2)c1	ZINC22_1201394575,EMOLS-id_313792568	413.576	XLVORUBPCIBIQS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121568
COc1ccc(CNC(=O)c2nc3CCN(CC4CCCCC4)CCc3s2)cc1	ZINC22_1201388714,EMOLS-id_313792311	413.576	DVAKYLDWRWLZIE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121569
O=C1N(CCCc2c1c(C)c(s2)CC1CCNCC1)Cc1c(C)cc([nH]c1=O)C	PC-id_145222671	413.576	SGAQAPVQPDRCIJ-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-121570
s1c2CCCCCCc2cc1C(=O)NCc1ccc(N2CC(OC(C2)C)C)nc1	PC-id_55709911	413.576	NJZSHPKFTOQGPF-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-121571
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1cc(ccc1)C(=O)C	PC-id_30376875	413.576	ARQHVKNVSNLWNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121572
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1ccc(cc1)C(=O)C	PC-id_30376880	413.576	XGWJHNIOWPIJGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121573
s1c2CCCCCc2nc1NC(=O)CCCN(S(=O)(=O)c1sccc1)C	PC-id_24604002	413.578	YEFOMGHXIVQPHG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-121574
s1c2CCCCCc2nc1NC(=O)C(NS(=O)(=O)c1sccc1)C(C)C	PC-id_43041605	413.578	BEPYHUFPLQSNMY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-121575
Cc1ccc(SCC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c(C)c1	EMOLS-id_13570414,PC-id_17479910,CoCoCo_4469549,MCULE-5785495630,ZINC22_14245854	413.579	RMXHNBYJHIVCSV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121576
CCc1sc2c(c1)C(=O)N(CCC2)CCCCN1CCN(CC1)c1ncccn1	PC-id_19881122,SCHEMBL9037766	413.579	ZRARSPMGQCTIRX-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-121577
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccccc1SC1CCCC1	EMOLS-id_43405155,PC-id_72104327,MCULE-3293090958	413.579	APEKQMTVOZFTSD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121578
CC[C@H](NC(=O)Nc1ccccc1SC1CCCC1)c1nnc2n1CCCCC2	PC-id_96529199,ZINC22_79019564	413.579	APEKQMTVOZFTSD-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121579
CC[C@@H](NC(=O)Nc1ccccc1SC1CCCC1)c1nnc2n1CCCCC2	ZINC22_79019567,PC-id_96529200	413.579	APEKQMTVOZFTSD-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121580
CC(C(=O)N1CCN(CC1)Cc1nnc2n1CCCCC2)SCc1ccccc1	MCULE-5010798225,EMOLS-id_30259155,PC-id_45909537	413.579	CMFKTUOBMXYKHJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121581
C[C@H](SCc1ccccc1)C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_51959470,ZINC22_40145178	413.579	CMFKTUOBMXYKHJ-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121582
C[C@@H](SCc1ccccc1)C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_51959471,ZINC22_40145179	413.579	CMFKTUOBMXYKHJ-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121583
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1)C)C(C)C	PC-id_74803744	413.579	WVMAHSHEPRCBDB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-121584
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1)C)C(C)C	PC-id_42441388	413.579	WVMAHSHEPRCBDB-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-121585
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1)C)C(C)C	PC-id_42441391	413.579	WVMAHSHEPRCBDB-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-121586
s1c2CCCCCCc2cc1C(=O)NCCCN1CCN(CC1)c1ncccn1	PC-id_39540631	413.579	UVTPCJDNHYAMRL-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-121587
s1c2CCCCCCc2c(c1NC(=O)CSc1sc2c(n1)cccc2)C#N	PC-id_19727811	413.579	NDNBVWDPBZXIDV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121588
s1c2c(N(CCCCN3CCN(CC3)c3ncccn3)C(=O)CCC2)cc1CC	PC-id_19881106	413.579	ZYKMUYYDFLUVDL-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-121589
S(=O)(=O)(N1CCN(CC1)Cn1nc2n(CCCCC2)c1=S)c1sccc1	PC-id_8206106	413.581	AJLTZCIKNQJHLY-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-121590
CC(c1ccc(c2-c(c1)c(C)cc2C(=NCCCC=Cc1ccccn1)N(C)C)C)C	PC-id_139705182	413.598	JHLQLBVEXVLGFM-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-121591
CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1	CoCoCo_4524012,ZINC22_10373937,PC-id_17466002,EMOLS-id_13528470,MCULE-7875840901	413.598	ZUMMTXCHAWRCGU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121592
CC1=C(CCN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)C(C)(C)CCC1	MCULE-4311372203,CoCoCo_1271054,CoCoCo_1271053,ZINC22_12207546,EMOLS-id_36574362,PC-id_42464306,ChEMBL-DNDi_CHEMBL27779490	413.599	CJSOHVOLQJZLEQ-UHFFFAOYSA-N	00001000100011000101000000000010000000000000000000000000	31-01-121593
CSNC1CCN(CC1)CCc1ccc(cc1)Oc1nc2c(s1)C=CC=CC2	PC-id_143381898	413.599	KXUBMSPMALYFKK-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-121594
Brc1cc(Cl)c(CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56143004	413.697	JACCDOUCDZUYKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121595
Brc1cc(Cl)c(N(C(=O)Cn2nc3n(CCCCC3)c2=O)C)cc1	PC-id_56048013	413.697	AYAIICPKNPXOGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121596
Clc1ccc(/C(=C/C3=CC=CC=CC3=[O+]C2=O)/c2c3-c(oc2=O)ccccc3)cc1	PC-id_10602933	413.829	CFLMZCZUTWDBQE-UHFFFAOYSA-N	00000011100000110110000000000110000000000000000000000000	31-01-121597
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)c2cccc(Cl)n2)c1	ZINC22_1565556010,EMOLS-id_313784464	413.833	UCEKXMJLFYOTDA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-121598
CC([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)Cl)F)C)O	PC-id_139471343,SCHEMBL21337341	413.851	RBXYCXGWOXUDHA-IWSPRGBSSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121599
C[C@@H](C1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)Cl)F)C)O	PC-id_140762592	413.851	RBXYCXGWOXUDHA-CUVJYRNJSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121600
C[C@@H]([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)Cl)F)C)O	SCHEMBL18353542	413.851	RBXYCXGWOXUDHA-LKFCYVNXSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121601
Clc1ccc(Oc2ncc(NC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)cc1	PC-id_56058183	413.857	DVGRYRDPUJQNIT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-121602
Clc1ccc(cc1)Cn1cnc(n1)C(=O)NC1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366486	413.861	JNQQGEGSUWADSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121603
Clc1cccc(c1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366886	413.861	BCRDCEAXMDVKDG-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121604
Clc1ccc(cc1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18372979	413.861	JNQQGEGSUWADSQ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121605
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)Cc1ccccc1Cl	SCHEMBL18366870	413.861	QKVPTQXSMNNHDW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121606
c1(NC(=O)c2cc(F)c(cc2Cl)F)sc2c(CCCCCC2)c1C(=O)OC	TIMTEC542816,SPECS-id_AK-968/13407042,CoCoCo_5822592,MCULE-3438883227,EMOLS-id_5124424,PC-id_1745072,ZINC22_2086746	413.866	XDKDYILNWSXLPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121607
C1CN(CCc2c1nc(o2)C(=O)NCc1ccccc1)Cc1cc(c(cc1)F)Cl	PC-id_134807453	413.872	CCGMHHRVAOGOIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121608
C1CN(CCc2c1nc(o2)C(=O)NCc1cc(ccc1)F)Cc1cc(ccc1)Cl	PC-id_134805198	413.872	HTRAQJCVQOTPCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121609
c1(CN(c2ccc(cc2)F)C(=O)Nc2ccccc2Cl)nnc2CCCCCn12	ChEMBL-DNDi_CHEMBLF2559-0256,PC-id_7267306,EMOLS-id_10086698,MCULE-8327689039,CoCoCo_2580247,ZINC22_4518174	413.876	LVLQNSDEYNEVAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121610
c1(CN(c2ccccc2F)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	MCULE-6134381094,EMOLS-id_10085936,ZINC22_5223460,CoCoCo_6271368,PC-id_7565958	413.876	WGAPHRJICSCJOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121611
c1(CN(c2ccc(cc2)F)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	MCULE-7021636714,ChEMBL-DNDi_CHEMBLF2559-0257,EMOLS-id_10086067,ZINC22_4518175,CoCoCo_2580248,PC-id_7267307	413.876	OFDFMDKFUMZCOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121612
c1(CN(c2ccc(cc2)F)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	CoCoCo_6269904,PC-id_1205152,MCULE-4547675866,EMOLS-id_6787975,ZINC22_974244,TIMTEC286208	413.876	LIWFHCASZYTFLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121613
c1(CN(c2ccccc2F)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	EMOLS-id_10085934,PC-id_7267257,ZINC22_4518107,MCULE-8318708136,ChEMBL-DNDi_CHEMBLF2559-0102,CoCoCo_2580194	413.876	SEEUXWBEVATFBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121614
c1(CN(c2ccc(c(Cl)c2)F)C(=O)Nc2ccccc2)nnc2CCCCCn12	ZINC22_4518202,EMOLS-id_10086217,PC-id_7267327,CoCoCo_2580285,MCULE-5312968814	413.876	BHZWULYOXLMHPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121615
c1(CN(c2cccc(F)c2)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	EMOLS-id_10085618,ZINC22_4518101,ChEMBL-DNDi_CHEMBLF2559-0059,MCULE-1007725528,PC-id_7267253,CoCoCo_2580184	413.876	KBCXYMYDJUSGGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121616
c1(CN(c2cccc(F)c2)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	ZINC22_4518100,ChEMBL-DNDi_CHEMBLF2559-0058,PC-id_7267252,CoCoCo_2580183,EMOLS-id_10085706,MCULE-7755025480	413.876	QEHBNMLIEFFSCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121617
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)F)C(=O)Nc1ccc(cc1)Cl	PC-id_4752703,ZINC22_16769841,MCULE-4863589269	413.876	RCTIOLNIVOJODB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121618
c1(nnc2CCCCCn12)N(Cc1ccccc1F)C(=O)Nc1cccc(Cl)c1	ZINC22_16769833,MCULE-2041290850,PC-id_4752694	413.876	OIEMGJPRJHGQFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121619
c1(nnc2CCCCCn12)N(Cc1ccc(c(Cl)c1)F)C(=O)Nc1ccccc1	PC-id_4752706,MCULE-5264157145,ZINC22_16769845	413.876	PGAZCFGBAZSJHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121620
c1(nnc2CCCCCn12)N(Cc1cccc(F)c1)C(=O)Nc1ccc(cc1)Cl	PC-id_4752601,ZINC22_16769778,MCULE-7367619461	413.876	DEJDWLZBEKICAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121621
c1(nnc2CCCCCn12)N(Cc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1	PC-id_4752612,ZINC22_16769791,MCULE-3346020476	413.876	XEXNYYGUPXSSCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121622
Clc1cccc(c1)CN1CCc2n(CC1)c(nn2)CNC(=O)c1cccc(c1)F	PC-id_28738813,ChEMBL-DNDi_CHEMBL21165249	413.876	NHIBQXPPDXTDAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121623
Clc1cc(NC(=O)N(c2n3CCCCCc3nn2)Cc2ccc(F)cc2)ccc1	PC-id_4481528	413.876	JSOXPHZIIBAVAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121624
Clc1c(NC(=O)N(Cc2n3CCCCCc3nn2)c2cc(F)ccc2)cccc1	PC-id_7565918	413.876	JXAFFTWANSPQHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121625
Clc1c(NC(=O)N(Cc2n3CCCCCc3nn2)c2c(F)cccc2)cccc1	PC-id_7565955	413.876	MJBUBVWVTJMXEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121626
Fc1cccc(Cl)c1CN1CCc2nnc(CNC(=O)c3ccccc3)n2CC1	PC-id_29149694,CoCoCo_1281457,ZINC22_20774481,EMOLS-id_20507035,CoCoCo_1281456,MCULE-9470371131	413.876	XKJHSGXJVIJCEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121627
n1c2CCCCCn2nc1CN(c1ccc(cc1)F)C(=O)Nc1ccccc1Cl	MCULE-4463083899,PC-id_16458876,CoCoCo_6602432,ZINC22_28534640	413.876	OEMVYSFYDZVECK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121628
n1c2CCCCCn2nc1CN(c1ccc(cc1)F)C(=O)Nc1ccc(cc1)Cl	PC-id_16458802,MCULE-3984265629,ZINC22_28527895,CoCoCo_6602137	413.876	LYUMXRXJJMPTNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121629
n1c2CCCCCn2nc1CN(c1ccc(c(Cl)c1)F)C(=O)Nc1ccccc1	PC-id_16458804,MCULE-6097769901,ZINC22_28527905,CoCoCo_6602202	413.876	OURIRNJQVXWXPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121630
n1c2CCCCCn2nc1CN(c1cccc(F)c1)C(=O)Nc1ccc(cc1)Cl	ZINC22_28527807,PC-id_16458766,MCULE-9949399619,CoCoCo_6601917	413.876	KEXXYNFQQWXZBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121631
n1c2CCCCCn2nc1CN(c1cccc(F)c1)C(=O)Nc1cccc(Cl)c1	ZINC22_28527822,PC-id_16458772,CoCoCo_6601946,MCULE-4812210502	413.876	OMVCSFTWCCLIHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121632
n1c2CCCCCn2nc1CN(c1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1	MCULE-6095500626,PC-id_16458694,CoCoCo_6601014,ZINC22_28527594	413.876	WLONBRXLBHJIEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121633
Clc1ccc(C(=O)Cn2nc([n+]3c2CCCCC3)NCc2ccc(F)cc2)cc1	PC-id_4659514	413.896	RLDDHWDCULXYOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121634
Fc1ccc(cc1)C(=O)C[n+]1nc(CNc2ccc(Cl)cc2)n2CCCCCc12	ZINC22_27027521,MCULE-4478419156,CoCoCo_6131323,EMOLS-id_300429519,PC-id_34318795	413.896	VRMAPJXPKBMYCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121635
Fc1ccc(NCc2n[n+](CC(=O)c3ccc(Cl)cc3)c3CCCCCn23)cc1	ZINC22_27525209,CoCoCo_6268933,GD-id_ZINC27525209,PC-id_34882973,MCULE-5887492246,EMOLS-id_300482224	413.896	GNRSSXZHQALQRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121636
CC(C)OC(=O)C1CN(C(=O)c2cccc(Cl)c2)CC(C)(C)c2cc(C#N)[nH]c12	CHEMBL565752,PC-id_45484832,BindingDB_PC-id_45484832,SCHEMBL4142282	413.897	XNZOQPBFGDNYCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121637
Clc1ccc(C(=O)N2CC(c3c([nH]c(c3)C#N)C(C2)C(=O)OC(C)C)(C)C)cc1	CHEMBL584897,BindingDB_PC-id_45484838,PC-id_45484838,SCHEMBL4135047	413.897	SYXYQNKRRUXROU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121638
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3cccc(Cl)c3)CCn12	PC-id_42362208,EMOLS-id_20574987,ZINC22_12028875,CoCoCo_1380787,CoCoCo_1380788,MCULE-1213023721	413.901	MCKWUEIYWYFIFY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121639
Clc1c(CN2CCn3c(nnc3CNC(=O)c3c(oc(c3)C)C)CC2)cccc1	PC-id_28391737	413.901	YBJORJKLODAOGR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-121640
Clc1c(n2cccc2)cc(OC)c(C(=O)NCCc2n3CCCCCc3nn2)c1	PC-id_56332328	413.901	FBPHGQIHGOWUIF-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-121641
Cc1cc(n(n1)c1ccc(c(n1)C(=O)NCCc1nnc2n1CCCCC2)Cl)C	PC-id_112812248	413.904	OUEWDULRQQHYLT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-121642
Clc1c(Cn2cc(C(=O)Nc3sc4CCCCCc4n3)ccc2=O)cccc1	PC-id_16606455	413.92	JFISVEWUTCHYTB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-121643
C1CCc2nnc(n2CC1)/C(=C(/C[NH+]1CCN(CC1)c1cc(ccc1)Cl)O)/C#N	PC-id_135571916	413.924	XINJWHZQKDXKAO-HNENSFHCSA-O	00000000100010110101100000000010000000000000000000000000	31-01-121644
C1CCc2nnc(n2CC1)/C(=C(/C[NH+]1CCN(CC1)c1ccccc1Cl)O)/C#N	PC-id_135779682	413.924	VHYIGEWRUNDMFE-MNDPQUGUSA-O	00000000100010110101100000000010000000000000000000000000	31-01-121645
Clc1cc(N2CC[NH+](CC2)CC(=O)C(=C2N3CCCCCC3=NN2)C#N)ccc1	PC-id_78699384	413.924	JKWGBDYBMJTJJK-UHFFFAOYSA-O	00000011000010110111100000000010000000000000000000000000	31-01-121646
Clc1cc(N2CC[NH+](CC2)CC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)ccc1	PC-id_8444540	413.924	JKWGBDYBMJTJJK-DYTRJAOYSA-O	00000011000010110111100000000010000000000000000000000000	31-01-121647
Clc1c(N2CC[NH+](CC2)CC(=O)C(=C2N3CCCCCC3=NN2)C#N)cccc1	PC-id_78699765	413.924	DTGUSFHXGYCQRW-UHFFFAOYSA-O	00000011000010110111100000000010000000000000000000000000	31-01-121648
Clc1c(N2CC[NH+](CC2)CC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)cccc1	PC-id_8446048	413.924	DTGUSFHXGYCQRW-LTGZKZEYSA-O	00000011000010110111100000000010000000000000000000000000	31-01-121649
O=C(NCc1nnc2n1CCCCC2)c1cccnc1Sc1ccc(Cl)cc1	MCULE-5401626479,PC-id_32368935,CoCoCo_3865687,ZINC22_25057033,EMOLS-id_17197409	413.924	PJQXJZBETXVUBM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-121650
Clc1ccc(S(=O)(=O)NCCC(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_24611804	413.942	JAZXOPSVVPHXHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121651
Clc1cc(S(=O)(=O)NCCC(=O)Nc2sc3CCCCCc3n2)ccc1	PC-id_30255530	413.942	ZLEMAZSRYSNPIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121652
CN(CC(=O)Nc1nc2c(s1)CCCCC2)S(=O)(=O)c1ccc(Cl)cc1	MCULE-8924806497,CoCoCo_4546103,EMOLS-id_44038010,PC-id_26158011,ZINC22_14554269	413.942	WUCGEIBCEHPJJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121653
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCCCC3)c1	MCULE-6296274694,ZINC22_12773761,EMOLS-id_16754556,PC-id_17526840,CoCoCo_4546120	413.942	ZOYSCSVDKFOGRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121654
c1(NC(=O)CC(c2ccc(cc2)Cl)Cn2cccc2)sc2c(CCCCC2)n1	EMOLS-id_323223662,MCULE-5975816474	413.963	CINKWOPRXDRVQG-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-121655
CCCCCCCCCCCCn1c(Cl)c2c(c1C(=O)OCC)OCCCO2	PC-id_102291096	413.979	HHNLHKSEMYGYHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121656
CCCCC(n1nc(c2c1C(CCCC2)Cc1cccc(c1)Cl)C(=O)N=C)CC	PC-id_143431305	413.983	AMMWZWVCBXSGAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121657
Brc1[nH]c2c(c1Br)C(=NNc1ncccn1)CCNC2=O	BindingDB-id_111113	414.055	AMTBGZFRWQUMRX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-121658
C1CNC(=O)c2c(/C/1=N/Nc1ncccn1)c(c([nH]2)Br)Br	PC-id_136032504	414.055	AMTBGZFRWQUMRX-KPSZGOFPSA-N	00000000100000100101000000000010000000000000000000000000	31-01-121659
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=C[C@H](NS2(=O)=O)C(C#C)O	PC-id_154682072	414.08	ILZFLQREYLTGBP-VYRBHSGPSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121660
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=C[C@@H](NS2(=O)=O)C(C#C)O	PC-id_154682251	414.08	ILZFLQREYLTGBP-AAFJCEBUSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121661
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@H](NS2(=O)=O)C(=O)C#C	PC-id_154682122	414.08	IHJCBEZRYBIDOZ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121662
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=CC(NS2(=O)=O)C(C#C)O	PC-id_154682208	414.08	ILZFLQREYLTGBP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121663
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)NC(CO3)C(C#C)O)C#N	PC-id_160166615	414.1	IKWAOYXTKMDMFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121664
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@@H](C#C)O)C#N	PC-id_160662544	414.1	IKWAOYXTKMDMFF-LSDHHAIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121665
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@H](C#C)O)C#N	PC-id_161849423	414.1	IKWAOYXTKMDMFF-GJZGRUSLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121666
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@@H](C#C)O)C#N	PC-id_161849424	414.1	IKWAOYXTKMDMFF-HUUCEWRRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121667
CC(C#C)(C1CCC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682344	414.116	FJPQONOIIWMJQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121668
CC#CC[C@@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155258020	414.116	RHMBTTSJJLBNSS-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121669
CN1C2=C(N(N=C2)C)OCC(=NC(=O)C3=CN(C=N3)CC4=CC(=C(C=C4)F)F)C1=O	PC-id_149404027	414.125	YPXZLGMZOOXPBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121670
CC1=C(C=C(C=C1)NC(=O)C2=C3CC[C@](NS(=O)(=O)C3=CN2C)(CO)C=C)C#N	PC-id_161675978	414.136	SLXXRDCFMSFDSN-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121671
CC1=C(C=C(C=C1)NC(=O)C2=C3CC[C@@](NS(=O)(=O)C3=CN2C)(CO)C=C)C#N	PC-id_161675979	414.136	SLXXRDCFMSFDSN-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121672
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@](CO3)(C)CC=C)C#N	PC-id_155062088	414.136	GCARIGVEFNTBAU-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121673
CC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=CS3)CNC(=O)CCC(=O)OC	PC-id_153831110	414.161	MMNBXNUBVSVAPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121674
CC1=C(C=CC(=C1)C(=O)N2CC(C3=C(C(=C2C)C(=O)OC(C)C)N=C(O3)C)(C)C)F	PC-id_161503672	414.195	ZJCOZCBVLYDYNG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121675
BrC(c1sc2c(CCCCC2)c1)Cc1cc(Br)ccc1	PC-id_63531759	414.198	KRONGGPUNKEDPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121676
BrC(c1sc2c(CCCCC2)c1)Cc1ccc(Br)cc1	PC-id_63543272	414.198	CEFHTYCYXAQORQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121677
CC(=O)CC1CCC(CC1)CCN2CCC3=C(CC2)SC(=N3)OCC(C)(F)F	PC-id_160520303	414.215	QUEKANKMWWLQOA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121678
CC1CC=CC=Cc2c1n(c(n2)CC1CCC=C(N=C1c1cc(ccc1)F)C)CC#N	PC-id_163794574	414.222	MZRGHUJFTRDDLI-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-121679
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)NC(=O)OC(C)(C)C)C2)C	PC-id_148747286	414.227	ODZVOXFYTIBVNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121680
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=C(C=CC=N3)C	PC-id_155203609	414.227	NFSJVMWICKDHIL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-121681
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC=CC(=N3)C	PC-id_155203752	414.227	ABTHZPFKGZCOEQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-121682
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=C(N=CC=C3)C	PC-id_155203598	414.227	NDPLLOUFODOANN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-121683
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NC=CC(=C3)C	PC-id_155203780	414.227	RXAZVXJLKLLLBZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-121684
Brc1c2C(CN(CCc2sc1C(=O)C(F)(F)F)C(=O)OCC)C	PC-id_66934317,SCHEMBL1182207	414.238	LUPCKMFDVFSRIJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-121685
CN(C)/C=C(C#N)/C(=O)c1cc2=CC(CC(C=c2[nH]1)Br)OCC(F)F	PC-id_134449210,SCHEMBL20084884	414.245	SOMFCBCAKNJOFJ-DHZHZOJOSA-N	00000000100000000110000000000010000000000000000000000000	31-01-121686
Ic1oc(C=Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_24133339	414.261	BLMAUDDBRVMRCM-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-121687
B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965377,PC-id_89579854	414.263	ILFGYQPVQNJSFD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121688
[B]c1c2c(ccc1)NC(=O)C2=Cc1c(c2c([nH]1)CCCN(C2=O)CCN1CCCC1)C	PC-id_89099135	414.308	QNYIDUOPKSMYTJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-121689
[B]c1cc2c(cc1)NC(=O)C2=Cc1c(c2c([nH]1)CCCN(C2=O)CCN1CCCC1)C	PC-id_89099150	414.308	WHFYDTMZFPSFBE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-121690
O=S(=O)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCn2c(C1)ncn2	PC-id_143775136	414.326	UGGQMQPNDVYELX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121691
O=S(=O)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCn2c(C1)nnc2	PC-id_143775159	414.326	XAAFFAPDPDBUFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121692
Clc1ccc(c(c1)Cl)NC(=O)N1CCCn2c(C1Cc1ccccc1)ccc2	SCHEMBL4053409,PC-id_25215974	414.328	ICWDCMPJDJNLKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121693
Brc1c(scc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_55763071	414.337	MNIZKEHFFPXLRL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-121694
c1(NC(=O)c2ccc(Br)s2)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_5475012,CoCoCo_5018647,PC-id_4065094,ZINC22_4194742,ChEMBL-DNDi_CHEMBLF0882-1268,MCULE-9127291920	414.337	SZRIUPRRZWBVFV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-121695
C1Cn2cc(nc2OCCN1CC(=O)NNc1cccc(c1)C(F)(F)F)[N+](=O)[O-]	PC-id_89580506,SCHEMBL14966242	414.339	DGCGSEFLOIYPME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121696
C1Cn2cc(nc2OCCN1CC(=O)NNc1ccc(cc1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14966114,PC-id_89580412	414.339	VMUFMGXTOKTUHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121697
Brc1n2c(CN(CCC2)CC)c(n1)C(=O)NC(C(C)(C)C)C(=O)NC	PC-id_68920896,SCHEMBL4121914	414.341	AWTNZRPINRPVMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121698
Brc1n2c(CN(CCC2)CC)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	SCHEMBL4121910,PC-id_57736912	414.341	AWTNZRPINRPVMC-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121699
Brc1n2c(CN(CCC2)C)c(n1)C(=O)NC(CC(C)(C)C)C(=O)NC	PC-id_76571557	414.341	NXOBDHRUZLICLK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121700
Brc1n2c(CN(CCC2)C)c(n1)C(=O)NC(C(C)(C)C)C(=O)N(C)C	PC-id_66931931,SCHEMBL1174710	414.341	FLJBGQHZMNWVOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121701
Brc1n2c(CN(CCC2)C)c(n1)C(=O)N[C@@H](CC(C)(C)C)C(=O)NC	PC-id_57635371,SCHEMBL12883237	414.341	NXOBDHRUZLICLK-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-121702
Brc1n2c(CN(CCC2)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)N(C)C	PC-id_57635558,SCHEMBL1174709	414.341	FLJBGQHZMNWVOG-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121703
CN1CCCn2c(C1)c(CC(=O)N[C@H](C(=O)N)CC(C)(C)C)nc2Br	PC-id_140172252	414.341	DKCKXYSURQYSHF-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121704
CNC(=O)[C@H](C(C)(C)C)NC(=O)Cc1nc(n2c1CN(C)CCC2)Br	PC-id_140172233	414.341	YEILUZQYBRVACG-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121705
CNC(=O)[C@@H](NC(=O)Cc1nc(n2c1CN(C)CCC2)Br)CC(C)C	PC-id_140172259	414.341	JWRCTGFMROQNIY-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121706
CCCCC(CC)CN(CC(CC)CCCC)CN1C2=CC=CC(C=C2N=N1)(C)C	PC-id_153372792	414.372	VHIAGNCLIGEPLE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-121707
FC(F)(F)Oc1ccc(C(O)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56219723	414.379	GEGMSTJYKYURGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121708
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(c(F)c1)F)c2)Cc1ccc(cc1)F	MCULE-4667452151,EMOLS-id_32632848,PC-id_53034501	414.38	YWCYQOKXMQHDQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121709
COc1cc(F)ccc1c1cnn(c1)Cc1n2COC(=O)CCC(=O)Oc1c(n2)C	PC-id_140810667	414.387	YVMJAPSVICVBNX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121710
CN(CC1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)C	SCHEMBL18357886	414.427	COFGLGBIHRGLFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121711
N1(CCC(=O)Nc2sc3c(CCCCC3)n2)C(=O)c2c(c(ccc2)N(=O)=O)C1=O	MCULE-9250666988,EMOLS-id_334603132	414.435	WQOXJBATTBZYOB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121712
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N)cc1)C#N	PC-id_41538948	414.435	VYVVTAMTKRUAEY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121713
s1c2CCCCCc2nc1NC(=O)C(N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])C	PC-id_55507062	414.435	WHZJYCUKTNNFBY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-121714
FC(c1c(ccc2c1C(O)C(S2)(F)F)OC1=c2ccsc2=CCCC=C1)F	SCHEMBL21037689,PC-id_138667457	414.437	REXJWCPOFAGZBP-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-121715
c1(C(=O)N2CCN(CC2)c2nnc(C(F)(F)F)s2)c2CCCCCCc2[nH]n1	CoCoCo_495621,EMOLS-id_24888368,CoCoCo_495620,SYN-20036903,ZINC22_19014952,PC-id_46970918,MCULE-8875173693	414.448	AKYWLPJIRJFZFR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-121716
OC[C@H]([C@H]([C@@H]([C@H](C(c1cc(ccc1O)Cc1cc2-c(c1)ccccc2)O)O)O)O)O	PC-id_142687732	414.448	IQQJNVLPOSUSBG-XCFNNZSKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-121717
Fc1ccc(c(c1)F)c1nn(cc1C(=O)NCCCc1nnc2n1CCCCC2)C	PC-id_86949310	414.452	FXGNXQKISSGCOP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121718
c1(C(=O)OC)nc(sc1c1ccc(cc1)F)NC(=O)c1c2CCCCCc2[nH]n1	MCULE-1037638532,EMOLS-id_323253427	414.453	FWRYSLRJURHPKD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121719
c1(C(=O)OC)nc(sc1c1cccc(F)c1)NC(=O)c1c2CCCCCc2[nH]n1	MCULE-6103425108,EMOLS-id_323252915	414.453	OSHGNGUKVXGBOY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121720
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2oc(cc2)COC)ccc1	PC-id_42440726	414.453	VESGFBHGURUBKK-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-121721
Fc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)cc(OC)cc1	PC-id_42162654	414.453	PZDUSVDCVSXEHO-CQSZACIVSA-O	00000000101000110101000000000010000000000000000000000000	31-01-121722
Fc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)cc(OC)cc1	PC-id_42162655	414.453	PZDUSVDCVSXEHO-AWEZNQCLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-121723
Fc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cc(OC)cc1	PC-id_74779841	414.453	PZDUSVDCVSXEHO-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-121724
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)cc1	PC-id_42355811	414.453	IMBZQGWCRBOMEB-CQSZACIVSA-O	00000000101000110101000000000010000000000000000000000000	31-01-121725
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)cc1	PC-id_42355815	414.453	IMBZQGWCRBOMEB-AWEZNQCLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-121726
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cc1	PC-id_74798811	414.453	IMBZQGWCRBOMEB-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-121727
O(CC(O)N1CC(=O)N(c2ncn(c2C1=O)C)C)CCOCCOCCOCC	PC-id_22214868	414.453	RWJVLPGNGFUSQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121728
CC(CCCCn1cnc2c1NC=NCC2O)(C(=O)O)C(=O)OCc1ccccc1	BindingDB_PC-id_10811730,CHEMBL37278,PC-id_10811730	414.455	VGNWEUWZTLRFNQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-121729
COc1ccc(cc1)C(=O)N1CCCn2c(C1)cc(n2)C(=O)NOC1CCCCO1	PC-id_58465736,SCHEMBL2521032	414.455	JNGSCVNNEGIPKX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121730
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)O)CCOC)Cc1ccccc1	PC-id_46049198	414.455	RFKPBIYHCIFUNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121731
c1(C(=Cc2ccc(cc2)OC(=O)c2ccccc2OC)C#N)nnc2CCCCCn12	MCULE-3736136624,PC-id_4227889	414.456	TZVGGNDUYAEHCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121732
Cc1c(oc2ccccc12)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2ccccc2)C1	PC-id_137660198	414.456	AICHXHNRYQGIHK-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-121733
COc1ccccc1C(=O)Oc1ccc(/C=C(C#N)/c2nnc3CCCCCn23)cc1	CoCoCo_5015910,EMOLS-id_45797614,PC-id_6042439	414.456	TZVGGNDUYAEHCE-OBGWFSINSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121734
N#C/C(=C/c1ccc(cc1)OC(=O)c1ccccc1OC)/c1nnc2n1CCCCC2	CoCoCo_5015911	414.456	TZVGGNDUYAEHCE-SDXDJHTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121735
c1(c2CCCCCc2n[nH]1)C(=O)N1CCOCC(O)(CNC(=O)c2cnccn2)C1	BDE-33579864,EMOLS-id_48378736,PC-id_110122160,MCULE-4029396395	414.458	XYJDUVFWMKUYQA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-121736
Cc1noc(C)c1CNC(=O)C1CCc2nn(Cc3c(C)noc3C)c(=O)n2CC1	MCULE-5060490952,EMOLS-id_207876815	414.458	NJMPVDQVQGHQKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121737
CN1CCN(CC1)C(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965840,PC-id_89580215	414.458	ZDFJDHWQEVTQMU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121738
O1CCN(CC1)c1c(C(=O)NCCc2n3CCCCCc3nn2)cc([N+](=O)[O-])cc1	PC-id_55581787	414.458	NAGNYACBNZYCTI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121739
O=c1n2CCCCCc2nn1CC(=O)Nc1cc2n(CCN(C)C)c(=O)oc2cc1	PC-id_56204012	414.458	NWZNOCOCQGLONT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121740
O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)NCCc1nnc2n1CCCCC2	PC-id_94549544	414.458	PMIJABCUBILAOT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121741
O=C(N1CCN(CC1)Cc1cc([N+](=O)[O-])ccc1)Cn1nc2n(CCCCC2)c1=O	PC-id_56164406	414.458	NKNPTTYNZLDCBG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121742
O=C(NC[C@@]1(O)COCCN(C(=O)c2[nH]nc3c2CCCCC3)C1)c1cnccn1	ZINC22_257332716	414.458	XYJDUVFWMKUYQA-FQEVSTJZSA-N	00000000100000100101000000000010000000000000000000000000	31-01-121743
O=C(NC[C@]1(O)COCCN(C(=O)c2[nH]nc3c2CCCCC3)C1)c1cnccn1	ZINC22_257332717	414.458	XYJDUVFWMKUYQA-HXUWFJFHSA-N	00000000100000100101000000000010000000000000000000000000	31-01-121744
N#C/C(=Cc1ccc(c(c1)[N+](=O)[O-])N(c1ccccc1)C)/c1nnc2n1CCCCC2	ChEMBL-DNDi_CHEMBL1610842,CoCoCo_3456458,PC-id_6295563	414.46	OZBSSASZKVCASJ-NBVRZTHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121745
N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])N(c1ccccc1)C)/c1nnc2n1CCCCC2	CoCoCo_3456459	414.46	OZBSSASZKVCASJ-JXAWBTAJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121746
N#CC(=Cc1ccc(c(c1)[N+](=O)[O-])N(c1ccccc1)C)c1nnc2n1CCCCC2	EMOLS-id_300267076,MCULE-6755981743,PC-id_5188016	414.46	OZBSSASZKVCASJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121747
CCN(C1=Nc2n(C=NC1)nc(c2C#N)Nc1ccc(cc1)Oc1ccncc1)CC	PC-id_143057006	414.463	FDPNAINERXVNNZ-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-121748
CCOc1cc2-c(c1C(=O)OCC)ccccc2OS(=O)(=O)c1ccc(cc1)C	PC-id_101223286	414.471	RGBARBXCHPQPME-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-121749
c1(NC(=O)C=Cc2cccc(c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	MCULE-8084881716,PC-id_3352155	414.475	IUJFGCVYQMBNPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121750
c1(NC(=O)C=Cc2ccc(cc2)N(=O)=O)sc2c(CCCCCC2)c1C(=O)OC	PC-id_2932308,MCULE-6022240096	414.475	LBRNVHKBRWZWTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121751
CCOC(=O)c1c(NC(=O)/C=Cc2cccc(c2)[N+](=O)[O-])sc2c1CCCCC2	CoCoCo_5015591	414.475	IUJFGCVYQMBNPT-QXMHVHEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121752
CCOC(=O)c1c(NC(=O)/C=C/c2cccc(c2)[N+](=O)[O-])sc2CCCCCc12	PC-id_5801203,CoCoCo_5015590,EMOLS-id_30108609,ZINC22_4134793	414.475	IUJFGCVYQMBNPT-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121753
COc1cccc(OC)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_3247220,EMOLS-id_43723978,MCULE-6869611556,CoCoCo_2923049,PC-id_2364504	414.475	GAKPVNYESXMMMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121754
COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC	MCULE-6217716452,ZINC22_3320815,PC-id_2436458,EMOLS-id_43726846,CoCoCo_2933297	414.475	YXSVOHMMYLZVTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121755
COC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)[N+](=O)[O-])sc2c1CCCCCC2	CoCoCo_6799631	414.475	LBRNVHKBRWZWTN-RAXLEYEMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121756
COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2CCCCCCc12	ZINC22_2767609,CoCoCo_6799630,SPECS-id_AK-968/41926459,TIMTEC279819,EMOLS-id_25950812,PC-id_2168626	414.475	LBRNVHKBRWZWTN-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121757
s1c2CCCCCc2cc1C(=O)OCc1onc(n1)c1c(OC)cc(OC)cc1	PC-id_8216214	414.475	SMMQEKHJQVIJFR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121758
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C(=O)C)C(=O)NC(=O)OC	PC-id_7521875	414.475	ZPVDWGOYUCCEJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121759
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_4461820	414.475	ABUBQEQARUZHKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121760
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_6116248	414.475	ABUBQEQARUZHKB-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121761
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1c(O)cc(OC)cc1)C)C#N	PC-id_8286523	414.475	ZENDCXZFCNYSDU-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121762
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1c(O)cc(OC)cc1)C)C#N	PC-id_8286528	414.475	ZENDCXZFCNYSDU-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121763
s1c2c(CCCCC2)c(c1NC(=O)COc1c(OC)cc(cc1)C#N)C(=O)OC	PC-id_7757309	414.475	URWIQVZVPLHBHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121764
s1c2CCCCCc2c(c1NC(=O)COc1c(OC)cc(cc1)C(=O)OC)C#N	PC-id_46583327	414.475	IYBNWWZFWKCEPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121765
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(OC)cc(OC)c1)C#N	PC-id_4433116	414.475	YZKBZLHGLBSQPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121766
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(OC)cc(OC)cc1)C#N	PC-id_41834610	414.475	GLPRACGYFINTOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121767
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(O)cc(OC)cc1)C)C#N	PC-id_78654784	414.475	ZENDCXZFCNYSDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121768
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(OC)c(OC)ccc1)C#N	PC-id_41833543	414.475	IWRUISUQKLTOOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121769
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1ccc(OC)cc1)C#N	PC-id_41450173	414.475	IYJKRLZGZHMJHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121770
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1c(OC)cccc1)C#N	PC-id_45704361	414.475	NZXQIAGENZPYCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121771
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_4674741	414.475	JLHAOJUUFVJUJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121772
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_6182614	414.475	JLHAOJUUFVJUJH-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121773
Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_112834920	414.476	KRLGNSMZIURWAJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121774
CC(=NNC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccccc1[N+](=O)[O-])C	GD-id_ZINC44453021	414.478	RXXSNUGDAXPXKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121775
CCOC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc2n1CCCCC2	PC-id_4794541,CoCoCo_3081335,ZINC22_6784464,MCULE-9621005203,EMOLS-id_3440765	414.478	VYEJOTWYMYGLJX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121776
COc1cccc(c1)S(=O)(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	MCULE-8269977310,EMOLS-id_239612206	414.478	BBXJMJVUQSNNOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121777
O=C(Nc1cc2OCOc2cc1)C1CC[NH+](CC1)Cn1nc2n(c1=O)CCCCC2	PC-id_25599881	414.478	WUNWTYAHVPQPQA-UHFFFAOYSA-O	00000010100010100101000000001010000000000000000000000000	31-01-121778
OC(=O)C(NC(=O)C(N)C)Cc1cccc(n1)CSc1nc2c(o1)C=CCC=C2	PC-id_143235991	414.478	WHEDCHQLIAAKNO-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-121779
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(NC2CC2)cc1	PC-id_9153963	414.478	PTERIHCMUGUROI-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-121780
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc(c(c(c1=O)C#N)C)C)C(=O)OC	PC-id_8479021	414.478	QDPTVHXTNIMQPI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-121781
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(c(nn(c1=O)C)C)C)C#N	PC-id_37959971	414.478	MMVJFQNIQMFDBN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-121782
C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O	CoCoCo_3081958,ZINC22_14185116,PC-id_25983022	414.481	HTTGPILJJYKUOU-LJQANCHMSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121783
C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O	ZINC22_14185115,PC-id_25983021,CoCoCo_3081959	414.481	HTTGPILJJYKUOU-IBGZPJMESA-N	00000010100000110101100000000010000000000000000000000000	31-01-121784
Cc1noc(CC(=O)N2CCc3nc(C(=O)NCc4cccs4)n(C)c3CC2)n1	EMOLS-id_313766607,ZINC22_1565556280	414.481	AZPBTOWWPXERAE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-121785
O=C(NN1C(=O)NC(C1=O)(C)c1ccccc1)CSc1nnc2n1CCCCC2	MCULE-8365895364,PC-id_17463703,EMOLS-id_43775506	414.481	HTTGPILJJYKUOU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-121786
s1cc(nc1NC(=O)c1occc1)CC(=O)NCCc1n2CCCCCc2nn1	PC-id_55535338	414.481	KNDKLDFPEGRMNQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-121787
NC=Nc1ccc(cc1)Nc1nc(NC2=Cc3cn[nH]c3C=CC2)c2c(n1)ccs2	PC-id_142265311	414.486	OLRAJMPQDAXLQD-UHFFFAOYSA-N	00000000100000110111000001000010000000000000000000000000	31-01-121788
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)CC(F)(F)F)C)C#N	PC-id_24683925	414.488	DNBPDBTXVUYCHV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121789
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)c1[nH+]cc(cc1)C(F)(F)F	PC-id_8260272	414.492	VTQYYLPRESLKDM-UHFFFAOYSA-P	00000000100010101101100000000010000000000000000000000000	31-01-121790
CC(=O)c1c2-c(ccccc2)cc1Cc1cccc(c1)C1C=CCC(O1)COC(=O)C	PC-id_90917771	414.493	NDRYLTHSJRAWKB-UHFFFAOYSA-N	00000010100011110110100000000010000000000000000000000000	31-01-121791
N#CCCN(C(=O)COC(=O)c1cc2c(s1)CCCCCC2)c1ccc(F)cc1	CoCoCo_2876703,ZINC22_15126295,EMOLS-id_13804475,MCULE-3261235619,PC-id_16512665	414.493	HYGIAZLSOXZQKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121792
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O(c1c(NC(=O)C)c(CCCCCC)c2-c1ccc(cc2C)C(=O)NOCC)C=O	PC-id_57090479	414.495	OTPHNIUUJNVJME-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-121794
Cc1ccc(cc1)S(=O)(=O)N(Cc1nnc2CCCCCn12)c1ccc(F)cc1	ZINC22_28616657,PC-id_20994735,CoCoCo_6658441,EMOLS-id_27645032,MCULE-5706237227	414.496	YVDJKWXQXNJSAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121795
CC/C=C/c1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)C(=O)CCCC2	SCHEMBL683781,PC-id_58153790	414.496	BAAKQMRWNHAKGW-KGVSQERTSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121796
Fc1cccc(Cn2nc3CCCCC(C(=O)NCCc4cccs4)n3c2=O)c1	EMOLS-id_207869517,MCULE-2972055190	414.496	ZHNBLLLQTKPLAB-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-121797
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Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4nccs4)CCn23)cc1	ChEMBL-DNDi_CHEMBL12584666,MCULE-1019468345,ZINC22_299756586,PC-id_118754293,EMOLS-id_68871143	414.5	HMHNAMYWRCYVPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121810
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O(c1c(OCC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)Cc1ccccc1	PC-id_8275416	414.5	QTODXIWSQZLGBY-RCCKNPSSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121813
Cc1cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)ccc1[N+](=O)[O-]	ZINC22_5864014,MCULE-6872877245,CoCoCo_3789113,PC-id_4212138,EMOLS-id_48984734	414.501	VNKQIFVZDLRSMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121814
Cc1nonc1CNC(=O)[C@@]1(C)CCCN(C(=O)c2n[nH]c3c2CCCCCC3)C1	ZINC22_257324616	414.501	WPLXAIPGIXDTNO-NRFANRHFSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121815
Cc1nonc1CNC(=O)[C@]1(C)CCCN(C(=O)c2n[nH]c3c2CCCCCC3)C1	ZINC22_257324617	414.501	WPLXAIPGIXDTNO-OAQYLSRUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121816
Cc1nonc1CNC(=O)C[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCCCC3)C1	ZINC22_257330056	414.501	XMPIVUMGOWXYGY-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121817
Cc1nonc1CNC(=O)C[C@H]1CCCN(C(=O)c2n[nH]c3c2CCCCCC3)C1	ZINC22_257330057	414.501	XMPIVUMGOWXYGY-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121818
N#Cc1c(NC(=O)CSc2nnc(o2)c2ccoc2C)sc2c1CCCCC2	PC-id_112786014	414.501	VLIXWIRLMHWGKR-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-121819
O1C(CN(CC1C)c1ncc(cc1)CNC(=O)Cn1nc2n(CCCCC2)c1=O)C	PC-id_55722262	414.501	ZHQNFBFGBDHYLF-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-121820
O=C(c1n[nH]c2c1CCCCCC2)N1CCCC(C1)(C)C(=O)NCc1nonc1C	BDC-30128847,MCULE-4135744440,PC-id_110085665	414.501	WPLXAIPGIXDTNO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121821
O=C(CC1CCCN(C1)C(=O)c1n[nH]c2c1CCCCCC2)NCc1nonc1C	PC-id_110085666,MCULE-8834526818,BDC-30128861	414.501	XMPIVUMGOWXYGY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121822
s1c2c(CCCCC2)c(c1NC(=O)c1nc(sc1)c1ncccn1)C(=O)OC	PC-id_55873071	414.501	ZRROFDZIYXLLMD-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-121823
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1oc(nn1)c1occc1)C)C#N	PC-id_8452982	414.501	HVDYQDGPEPYPMT-NSHDSACASA-N	00000000101000000101100000000010000000000000000000000000	31-01-121824
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1oc(nn1)c1occc1)C)C#N	PC-id_8452987	414.501	HVDYQDGPEPYPMT-LLVKDONJSA-N	00000000101000000101100000000010000000000000000000000000	31-01-121825
s1c2CCCCCc2c(c1NC(=O)C(Sc1oc(nn1)c1occc1)C)C#N	PC-id_78701337	414.501	HVDYQDGPEPYPMT-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-121826
s1c2CCCCCc2c(c1NC(=O)CSc1n(N)c(nn1)c1occc1)C#N	PC-id_45642153	414.505	FNGZADJNFLJEPG-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-121827
s1c2CCCCCc2c(c1NC(=O)CSc1n(nnn1)Cc1occc1)C#N	PC-id_55499297	414.505	VWBJIJQQQVNMHM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-121828
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCC(C1)C(F)(F)F	PC-id_112076006	414.511	BQCFQWXZSFJUGU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121829
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCC(CC1)C(F)(F)F	PC-id_112076138	414.511	NLFNRNSCFFXVAS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121830
CCn1cc2c(c1)C(=O)N(CCC2O)CCCN1CCN(CC1)c1ccc(cc1)F	PC-id_22738030,SCHEMBL6773782	414.516	UXQVITXXGFPYQN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121831
CCn1ccc2c1C(O)CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)F	SCHEMBL6774449,PC-id_10693129	414.516	KBOQYIBHAJCVPJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121832
COC1CCN(C(=O)c2c1cn(c2)C)CCCN1CCN(CC1)c1ccc(cc1)F	PC-id_22738023,SCHEMBL6774424	414.516	JHTKQQJZEKWULE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121833
COC1CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1cccc(c1)F	PC-id_22737981,SCHEMBL6774334	414.516	BUHIGWMMEUQYCY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121834
COC1CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccc(cc1)F	PC-id_22738034,SCHEMBL6773304	414.516	XWSAVEPLWPIIQB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121835
Fc1ccc(cc1)N1CCN(CC1)CCCCN1CCC(c2c(C1=O)ccn2C)O	SCHEMBL6769738,PC-id_10549726	414.516	IJYYJGUKSOOLMT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121836
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)c(C)cn2C)O	SCHEMBL6653693,PC-id_15549933	414.516	KCJPSUHSMGNGJD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121837
c1(c2CCCCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1ccccc1C	PC-id_17377009,EMOLS-id_4095353,MCULE-7551321681,ZINC22_17089992,TIMTEC126462,CoCoCo_6832056	414.518	DMTJIAPZFCDODZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121838
c1(c2CCCCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1cccc(C)c1	MCULE-7153006345,ZINC22_17090023,EMOLS-id_4095383,PC-id_17377006,CoCoCo_6831752	414.518	RVYGLORLEKNLEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121839
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C(=O)N	MCULE-3256959048,PC-id_1022816	414.518	OYXAOOXKPYUGMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121840
c1(NC(=O)CCCC(=O)O)sc2c(CCCCC2)c1C(=O)NCc1ccccc1	ZINC22_17089974,EMOLS-id_4095339,MCULE-7897931712,TIMTEC455777,PC-id_17377518,CoCoCo_6833253	414.518	SQDJNNHZBLJCFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121841
Cc1cccc(C)c1NC(=O)CNC(=O)COC(=O)c1cc2c(s1)CCCCC2	CoCoCo_2861451,ZINC22_5362421,PC-id_7650111,MCULE-8063750786,EMOLS-id_43703975	414.518	GGFQNLQGRJTOOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121842
COc1ccc(cc1OC)/C=CC(=O)Nc1sc2c(c1C(=O)N)CCCCCC2	CoCoCo_908593	414.518	OYXAOOXKPYUGMN-BENRWUELSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121843
COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N)CCCCCC3)cc1OC	TIMTEC370391,CoCoCo_908592,EMOLS-id_25952592,ZINC22_688833,PC-id_1022817,SPECS-id_AK-968/37171090	414.518	OYXAOOXKPYUGMN-ZRDIBKRKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121844
O=C(c1ccccc1OCC1CCCO1)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-3632990085,EMOLS-id_25656954,PC-id_42937114	414.518	FRJOLKCWWAPOMF-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-121845
O=C(c1ccccc1OC[C@@H]1CCCO1)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_30689480,CoCoCo_4600661	414.518	FRJOLKCWWAPOMF-INIZCTEOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-121846
O=C(c1ccccc1OC[C@H]1CCCO1)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_30689487,CoCoCo_4600660	414.518	FRJOLKCWWAPOMF-MRXNPFEDSA-N	00000010100000110100000000000010000000000000000000000000	31-01-121847
OCCCc1c(/C=C/2C(=O)Nc3c2cc(cc3)S(=O)(=O)C)[nH]c2c1CCCCC2	PC-id_60113734,SCHEMBL6694710	414.518	XOSXMJFGTNPUCB-AQTBWJFISA-N	00000010100000100100000000001010000000000000000000000000	31-01-121848
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(OCC2OCCC2)cc1	PC-id_43004215	414.518	GJZNXWQGDVRAAM-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-121849
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(OC[C@H]2OCCC2)cc1	PC-id_51716088	414.518	GJZNXWQGDVRAAM-SFHVURJKSA-N	00000010100000110100000000000010000000000000000000000000	31-01-121850
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(OC[C@@H]2OCCC2)cc1	PC-id_51716089	414.518	GJZNXWQGDVRAAM-GOSISDBHSA-N	00000010100000110100000000000010000000000000000000000000	31-01-121851
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(c(OC)c(OC)c1)CC=C	PC-id_24554135	414.518	WEFGWLQGHLRSGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121852
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OCC2OCCC2)ccc1	PC-id_46518350	414.518	BFZFFHKLNPJBSU-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-121853
s1c2CCCCCc2cc1C(=O)NNC(=O)c1oc2CC(CC(=O)c2c1C)(C)C	PC-id_55792027	414.518	OBCWUZCMXDYTNX-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-121854
s1c2CCCCCc2cc1C(=O)NNC(=O)CCC(=O)c1ccc(OCC)cc1	PC-id_9301166	414.518	IAZCKGGAAZUFHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121855
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1	PC-id_7225094	414.518	BDNGARGGTCRIMZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121856
s1c2CCCCCc2cc1C(=O)OCC(=O)N(CC(=O)Nc1ccc(cc1)C)C	PC-id_7351947	414.518	YVBMJGFSXRRCMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121857
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC(=O)Nc1c(c(ccc1)C)C	PC-id_7650054	414.518	OQWLHRSQNQIHNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121858
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC(=O)Nc1c(CC)cccc1	PC-id_9402990	414.518	POGKHOFQGBMZJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121859
s1c2c(CCCCC2)c(c1NC(=O)c1cc(c(cc1)C)C)C(=O)NC(=O)OCC	PC-id_7521922	414.518	RITACMSEGSMUGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121860
s1c2c(CCCCC2)c(c1NC(=O)c1c(ccc(c1)C)C)C(=O)NC(=O)OCC	PC-id_7521942	414.518	GKFRAWBNHKDPPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121861
s1c2c(CCCCC2)c(c1NC(=O)c1c(cc(cc1)C)C)C(=O)NC(=O)OCC	PC-id_7521943	414.518	ITTMRTZRJCWZPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121862
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)OC	PC-id_56195189	414.518	KETSIAPTEWFIAI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121863
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OCC2OCCC2)cc1)C(=O)N	PC-id_60388358	414.518	BVINKPDOQQXMAU-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-121864
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OC[C@H]2OCCC2)cc1)C(=O)N	PC-id_52894689	414.518	BVINKPDOQQXMAU-INIZCTEOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-121865
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OC[C@@H]2OCCC2)cc1)C(=O)N	PC-id_52894690	414.518	BVINKPDOQQXMAU-MRXNPFEDSA-N	00000010100000110100000000000010000000000000000000000000	31-01-121866
s1c2c(CCCCC2)c(c1NC(=O)c1cc(c(OC)c(OC)c1)CC=C)C(=O)N	PC-id_55451346	414.518	AXIJZGIANFRLDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121867
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(ccc(c1)C)C)C(=O)NC(=O)OC	PC-id_41619011	414.518	YYYUCIWSYBKEEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121868
s1c2c(CCCCC2)c(c1NC(=O)Cc1cc(c(cc1)C)C)C(=O)NC(=O)OC	PC-id_41619960	414.518	RJMUVVBHYALJGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121869
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(cc1)CC)C(=O)NC(=O)OC	PC-id_41676402	414.518	PWUHANVMKUKQLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121870
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(cc(cc1)C)C)C(=O)NC(=O)OC	PC-id_7597062	414.518	SQPVNAUOXGABQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121871
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(cc1)C)C(=O)NC(=O)OCC	PC-id_41617363	414.518	WMJGDBPVCPANMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121872
s1c2c(CCCCC2)c(c1NC(=O)CCc1ccccc1)C(=O)NC(=O)OCC	PC-id_7521935	414.518	INRKWGFSCMTERF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121873
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s1c2c(CCCCC2)c(c1NC(=O)CCNC(=O)c1c(cccc1)C)C(=O)OC	PC-id_55697980	414.518	FPLLMCYOKHSWPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121874
s1c2CCCCCCc2cc1C(=O)Nc1ccc(cc1)CC(=O)NCC(=O)OC	PC-id_55781560	414.518	LKOIBOCANXYQFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121875
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1c(OC)ccc(c1)C(=O)C	PC-id_24444619	414.518	UDIXXOGEAUGJLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121876
s1c2CCCCCCc2cc1C(=O)NNC(=O)C=Cc1cc(OC)c(OC)cc1	PC-id_85009909	414.518	LWFAGMVNHYCHNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121877
s1c2CCCCCCc2cc1C(=O)NNC(=O)/C=C/c1cc(OC)c(OC)cc1	PC-id_9441648	414.518	LWFAGMVNHYCHNC-ZRDIBKRKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121878
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(Oc1cc(ccc1)C(=O)C)C	PC-id_56180405	414.518	MXJKFENKIGVARF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121879
s1c2CCCCCCc2cc1C(=O)NNC(=O)COc1ccc(C(=O)CC)cc1	PC-id_24643166	414.518	SFBIXUKQNNFFCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121880
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1cc(ccc1)C(=O)NCC	PC-id_40750577	414.518	FLISLXSIBROZFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121881
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)N(C)C	PC-id_41226756	414.518	LPXWEOVKAATPLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121882
s1c2CCCCCCc2cc1C(=O)OC(C(=O)Nc1ccc(NC(=O)C)cc1)C	PC-id_24341545	414.518	YRLJYUURMCMYCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121883
s1c2CCCCCCc2cc1C(=O)OCC(=O)N(CCC(=O)N)c1ccccc1	PC-id_18292621	414.518	XRPMCHOOIOJDBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121884
s1c2CCCCCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(NC(=O)C)cc1)C	PC-id_7618135	414.518	YRLJYUURMCMYCZ-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121885
s1c2CCCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(NC(=O)C)cc1)C	PC-id_7618143	414.518	YRLJYUURMCMYCZ-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121886
s1c2c(CCN(CCc3ccccc3)C=C(C2)C(=O)OC)c(c1N)C(=O)OCC	PC-id_75312798	414.518	RGKNPTGCLQBGMM-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-121887
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CCNC(=NCc1nnc2n1CCCCC2)N1CC(C)OC(C1)c1ccc(cc1)F	PC-id_109523755	414.52	VCROVPQTQGQPSI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121889
CN1CCCC(C1)C(=O)NCCc1nnc2n1CCN(CC2)Cc1cccc(c1)F	ChEMBL-DNDi_CHEMBL12592561	414.52	LFQSWPSKMFRIMV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121890
CN=C(N1CC(C)OC(C1)c1ccc(cc1)F)NCCc1nnc2n1CCCCC2	PC-id_109523383	414.52	UPGIJFAJWJPERO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121891
CN=C(NC(c1ccc(c(c1)F)OCC1CC1)C)NCc1nnc2n1CCCCC2	PC-id_109760187	414.52	HSFNPWDOVBAKJC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-121892
O=C(Nc1ccc(c(c1)F)N(C1CCCCC1)C)NCc1nnc2n1CCCCC2	GD-id_ZINC43779841	414.52	WCGCDORPVKQMFR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121893
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(scc1)C(=O)OC	PC-id_35937073	414.52	YVYZFFNYQMVAJE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-121895
c1(NC(=O)CCC(=O)Nc2ccc(cc2)NC(=O)CC)sc2c(CCCCC2)n1	EMOLS-id_335045451,MCULE-3092135805	414.521	SMBIULQZQJABIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121896
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)N2CCCC2)c1	EMOLS-id_313794359,ZINC22_2055793580	414.521	ZLLUWVACCDIKAR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121897
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)N2CCCC2)cc1	ZINC22_2055793458,EMOLS-id_313794102	414.521	HDVGEPDWQFGCSA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121898
COc1cccc(NC(=O)c2nc3CCN(CC(=O)N4CCCC4)CCc3s2)c1	ZINC22_2055793298,EMOLS-id_313793085	414.521	MAYXYHIBDSBKPL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121899
COc1cccc(NC(=O)N2CCc3nc(C(=O)N4CCCCC4)sc3CC2)c1	ZINC22_96147004,EMOLS-id_44303976,PC-id_97442528	414.521	IPTDBGVBUCEYTO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121900
O1CC(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2ccc(O)cc2)C(C)C)CC1	PC-id_74807292	414.521	OGRKVSKBNFEUBW-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-121901
O1C[C@@H](CC1)C(=O)N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(O)cc1)C(C)C	PC-id_42482156	414.521	OGRKVSKBNFEUBW-YLJYHZDGSA-O	00000010100000110101000000000010000000000000000000000000	31-01-121902
O1C[C@@H](CC1)C(=O)N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(O)cc1)C(C)C	PC-id_42482158	414.521	OGRKVSKBNFEUBW-XLIONFOSSA-O	00000010100000110101000000000010000000000000000000000000	31-01-121903
O1C[C@H](CC1)C(=O)N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(O)cc1)C(C)C	PC-id_42482160	414.521	OGRKVSKBNFEUBW-FXAWDEMLSA-O	00000010100000110101000000000010000000000000000000000000	31-01-121904
O1C[C@H](CC1)C(=O)N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(O)cc1)C(C)C	PC-id_42482162	414.521	OGRKVSKBNFEUBW-PXNSSMCTSA-O	00000010100000110101000000000010000000000000000000000000	31-01-121905
O(c1c([C@H]([NH+]2CCCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1)C	PC-id_40012398	414.521	HTODQZAVVNJGSC-GOSISDBHSA-O	00000010100000110101000000000010000000000000000000000000	31-01-121906
O(c1c([C@@H]([NH+]2CCCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1)C	PC-id_40012400	414.521	HTODQZAVVNJGSC-SFHVURJKSA-O	00000010100000110101000000000010000000000000000000000000	31-01-121907
O(c1c(C([NH+]2CCCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1)C	PC-id_74671240	414.521	HTODQZAVVNJGSC-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-121908
O(CCN1CC[NH+](CC1)Cc1n2CCCCCc2nn1)c1ccc(cc1)C(=O)OC	PC-id_52285040	414.521	FVBSINXYLXAAMV-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-121909
O=C(CSc1nnc2n1CCCCC2)Nc1ccc2c(c1)OC1(CCCCC1)O2	CoCoCo_3854837,ZINC22_8074589,PC-id_9207338,MCULE-1157410501,EMOLS-id_11716065	414.521	RXYUGDNXPNKLPX-UHFFFAOYSA-N	00000010100010100101000000000010000000000000000000000000	31-01-121910
O=C(N1CCCCC1)Cn1cc(ccc1=O)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_92634577	414.521	GJKLPZASSBKSGO-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-121911
O=C(N1CC[NH+](CCC1)Cc1ccc(OC)cc1)Cn1nc2n(CCCCC2)c1=O	PC-id_40019086	414.521	AJGUEKONOWEQFR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-121912
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(=O)OC)CC(C)C)C	PC-id_74805707	414.521	LSKDLPFFGQNYGZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-121913
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(OC)c(c(OC)cc1)C)C)C1CC1	PC-id_74800018	414.521	XABNFZSALBXSDV-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-121914
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1cc(OC)cc(OC)c1)C1CCC1	PC-id_42163927	414.521	IGDQGLOAISBTQL-UHFFFAOYSA-O	00001000100000110101000000000010000000000000000000000000	31-01-121915
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(=O)OC)CC(C)C)C	PC-id_42463511	414.521	LSKDLPFFGQNYGZ-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-121916
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(=O)OC)CC(C)C)C	PC-id_42463512	414.521	LSKDLPFFGQNYGZ-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-121917
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)c(c(OC)cc1)C)C)C1CC1	PC-id_42369750	414.521	XABNFZSALBXSDV-OAHLLOKOSA-O	00100000100000110101000000000010000000000000000000000000	31-01-121918
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)c(c(OC)cc1)C)C)C1CC1	PC-id_42369753	414.521	XABNFZSALBXSDV-HNNXBMFYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-121919
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)NC(C)C)cc1	PC-id_52671673	414.521	GSFQTSBMNFFEBT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121920
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)NC(C)C)ccc1	PC-id_46429585	414.521	LNVAACDMVIYOSN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121921
s1c2c(CCCCC2)c(c1NC(=O)C1CCCN(C1)c1ncccn1)C(=O)OC	PC-id_75889206	414.521	BATDOLBSDIOUPY-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-121922
s1c2c(CCCCC2)c(c1NC(=O)C1CCN(CC1)c1ncccn1)C(=O)OC	PC-id_55762603	414.521	VMYMABBWJIYMPX-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-121923
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1CCCN(C1)c1ncccn1)C(=O)OC	PC-id_52638645	414.521	BATDOLBSDIOUPY-CQSZACIVSA-N	00000000100010100101100000000010000000000000000000000000	31-01-121924
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1CCCN(C1)c1ncccn1)C(=O)OC	PC-id_52638646	414.521	BATDOLBSDIOUPY-AWEZNQCLSA-N	00000000100010100101100000000010000000000000000000000000	31-01-121925
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cc1c(n(nc1C)C)C)C)C#N	PC-id_55476863	414.521	DYQRZHYEHUOSDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121926
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCc1c(n(nc1C)C)C)C#N	PC-id_46673399	414.521	CXOIMJSQZUIPTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-121927
s1c2CCCCCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1ncccn1	PC-id_40750574	414.521	OMDYYMCTODOCHM-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-121928
s1c2CCCCCCc2nc1NC(=O)C1CCN(CC1)c1c([N+](=O)[O-])cccc1	PC-id_56020951	414.521	KOYOVURVQVTEKX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-121929
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(C1)c1ncccc1F	PC-id_109642047	414.523	OZCDWEPANJYUFQ-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-121930
CN=C(NC1CCN(C1)c1ncccc1F)NCCCc1nnc2n1CCCCC2	PC-id_109640271	414.523	HFVRQLPVBIGYKG-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-121931
c1(NC(=O)CCC(=O)N2CCN(CC2)c2ncccn2)sc2c(CCCCC2)n1	EMOLS-id_334817801,MCULE-8063123633	414.524	JEVIBUVFXGIMRZ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-121932
Fc1cc(C(=O)NCc2n3CC[NH+](CC(CCC=C(C)C)C)CCc3nn2)ccc1	PC-id_74800312	414.539	SSJMTCBIBDYNSR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-121952
c
(=N/C(=O)CNC(=O)N2CCN(CC2)c2ccccn2)/sc2c(CCCCC2)[nH]1	MCULE-5662929252,EMOLS-id_31668178,STOCK7S-09562,ZINC22_49549520,EMOLS-id_46560133,PC-id_51054287	414.524	KRYJZPYSFHSUJQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-121933
Cc1cnc(c(c1OC)C)Cn1c(c2c(n1)C(C(=O)CSC2=NC(=C)N)(C)C)N	PC-id_89179380	414.524	LBPXXFLMUISBMU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-121934
CCOC(=O)c1sc2nc(C)nc(N(C)Cc3nnc4n3CCCCC4)c2c1C	PC-id_47034323,EMOLS-id_31951071,ZINC22_45802465,MCULE-5992058350	414.524	PCSUNZGGMDWPGW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121935
COc1c(C)cnc(c1C)Cn1nc2c(c1N)/C(=NC(=C)N)/SCC(=O)C2(C)C	SCHEMBL13823327	414.524	LBPXXFLMUISBMU-LYBHJNIJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-121936
CSc1ccc(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)cc1	EMOLS-id_36616362,PC-id_45251651,MCULE-2157251056	414.524	CKOOVAVUVOQVHB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121937
CSc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1	CoCoCo_1639453,ZINC22_15069643,CoCoCo_1639452	414.524	CKOOVAVUVOQVHB-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121938
CSc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)cc1	ZINC22_15069641,CoCoCo_1639450,CoCoCo_1639451	414.524	CKOOVAVUVOQVHB-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-121939
S(c1n2CCCCCc2nn1)CC(=O)N1CCN(CC1)C(=O)Nc1ccccc1	PC-id_24523874	414.524	QOQYFLVJXJPDJG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121940
S(c1nn2c(c(CC(=O)NCCc3n4CCCCCc4nn3)c(nc2n1)C)C)C	PC-id_55534722	414.528	GOMRIRQFEWAYRJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121941
O(c1c(c2-c(c1C(=O)OCC)ccc(CCCCCCCC)cc2)C(=O)OCC)C	PC-id_11475512	414.534	ISYPZNQFXCOUMS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-121942
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)N1CCCCCC1	PC-id_2276481,ZINC22_2974436,CoCoCo_700145,Chemmine_6702,EMOLS-id_2105381,MCULE-7209178311	414.536	OPIXUULBSGBVBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121943
C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cc3c(s2)CCCCC3)C1=O	ZINC22_1544371956	414.536	TWXSNYORJAZVBG-BEFAXECRSA-N	00000000100010110100000000000010000000000000000000000000	31-01-121944
C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cc3c(s2)CCCCC3)C1=O	ZINC22_1544371957	414.536	TWXSNYORJAZVBG-DNVCBOLYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-121945
C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2cc3c(s2)CCCCC3)C1=O	ZINC22_1544371958	414.536	TWXSNYORJAZVBG-HNAYVOBHSA-N	00000000100010110100000000000010000000000000000000000000	31-01-121946
C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2cc3c(s2)CCCCC3)C1=O	ZINC22_1544371959	414.536	TWXSNYORJAZVBG-KXBFYZLASA-N	00000000100010110100000000000010000000000000000000000000	31-01-121947
Fc1ccc(cc1)C(N1CCCC(C1=O)NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_145899451,MCULE-2688038445,EMOLS-id_324041286	414.536	TWXSNYORJAZVBG-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-121948
s1c2c(CCCCCC2)cc1C(=O)N1CCCN(CC1)C(=O)c1c(F)cccc1	PC-id_78850109	414.536	QMZAIEHLSQRCTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121949
s1c2c(CCCCCC2)cc1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1	PC-id_46592903	414.536	NMSNKOZDTANRJB-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-121950
s1c2c(CCCCCC2)cc1C(=O)NC1CCN(CC1)C(=O)c1c(F)cccc1	PC-id_52225782	414.536	CSNHKEXHEULPCE-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-121951
Fc1cc(C(=O)NCc2n3CC[NH+](C[C@H](CCC=C(C)C)C)CCc3nn2)ccc1	PC-id_42372198	414.539	SSJMTCBIBDYNSR-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-121953
Fc1cc(C(=O)NCc2n3CC[NH+](C[C@@H](CCC=C(C)C)C)CCc3nn2)ccc1	PC-id_42372203	414.539	SSJMTCBIBDYNSR-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-121954
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_49698350	414.539	KIJWUXDOXXGFLF-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-121955
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_44086277	414.539	NQKZOFHTBWYYMO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-121956
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_44086873	414.539	KKKCOQRBCKCHRK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-121957
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_49697965	414.539	AVBSHIDIMXACQM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-121958
CN(c1ccc(cc1)C#Cc1cc(c2-c1ccccc2)C#Cc1ccc(cc1)N(C)C)C	PC-id_101423278	414.541	COJHFKJIVXGJOT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-121959
N#CCSc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCCCCC2	EMOLS-id_29605267,ZINC22_5302582,CoCoCo_2876710,PC-id_7618583,MCULE-5358755788	414.541	OSWVMGDTFGXYDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121960
O=C([C@H](OC(=O)c1cc2c(s1)CCCCC2)C)N1CCN(CC1)c1cccc[nH+]1	GD-id_ZINC42082118	414.541	SPPMVFIIAAYWIZ-MRXNPFEDSA-O	00000000100010101101100000000010000000000000000000000000	31-01-121961
s1c2CCCCc2c(c1NC(=O)COC(=O)c1sc2CCCCCc2c1)C#N	PC-id_16509406	414.541	TZYDMQKBQAJGHW-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-121962
s1c2CCCCCc2cc1C(=O)Nc1scc(n1)c1c(OC)ccc(OC)c1	PC-id_7924950	414.541	NXPDAQJMXDQZJI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-121963
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(cc(SC#N)cc1C)C	PC-id_7650010	414.541	WNTNDPDKZSVFLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121964
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1sc2c(n1)c(cc(c2)C)C	PC-id_7545807	414.541	RAHRGSRRFZLRPJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121965
s1c2CCCCCc2cc1C(=O)OCC(=O)N(Cc1sc2c(n1)cccc2)C	PC-id_9402941	414.541	ZDBCBLLRAUIBEC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-121966
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1ccc(SC)cc1)C)C#N	PC-id_8994740	414.541	HMLPSSRCCGOZHT-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121967
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1c(SC)cccc1)C)C#N	PC-id_8735812	414.541	NYQCOIDTBNETQY-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121968
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1c(SC)cccc1)C)C#N	PC-id_8735815	414.541	NYQCOIDTBNETQY-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121969
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1sc2CCCc2c1)C)C#N	PC-id_8359324	414.541	LBHYREDHGXLFBI-LBPRGKRZSA-N	00000010100000000100000010000010000000000000000000000000	31-01-121970
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1sc2CCCc2c1)C)C#N	PC-id_8359333	414.541	LBHYREDHGXLFBI-GFCCVEGCSA-N	00000010100000000100000010000010000000000000000000000000	31-01-121971
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)/C=C/c1sc(cc1)C)C)C#N	PC-id_8953767	414.541	AWIDTCVYOCGSCY-VNDWYCCKSA-N	00000000100100000100000000000010000000000000000000000000	31-01-121972
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)/C=C/c1sc(cc1)C)C)C#N	PC-id_8953772	414.541	AWIDTCVYOCGSCY-PLSXKVAHSA-N	00000000100100000100000000000010000000000000000000000000	31-01-121973
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)/C=C/c1sccc1C)C)C#N	PC-id_8954291	414.541	BXSOZDMBDBDHRD-VFNNOXKTSA-N	00000000100100000100000000000010000000000000000000000000	31-01-121974
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)/C=C/c1sccc1C)C)C#N	PC-id_8954295	414.541	BXSOZDMBDBDHRD-MYSGNRETSA-N	00000000100100000100000000000010000000000000000000000000	31-01-121975
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)CSc1ccccc1)C)C#N	PC-id_8948269	414.541	QCDLXTFCOXOFTH-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121976
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)CSc1ccccc1)C)C#N	PC-id_8948276	414.541	QCDLXTFCOXOFTH-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121977
s1c2CCCCCc2c(c1NC(=O)C[NH+](Cc1cc(OC)c(OC)cc1)C)C#N	PC-id_2698931	414.541	BRRJFSKXHPKXPY-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-121978
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1ccc(SC)cc1)C)C#N	PC-id_84895589	414.541	HMLPSSRCCGOZHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121979
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(SC)cccc1)C)C#N	PC-id_84825180	414.541	NYQCOIDTBNETQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121980
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1sc2CCCc2c1)C)C#N	PC-id_78674873	414.541	LBHYREDHGXLFBI-UHFFFAOYSA-N	00000010100000000100000010000010000000000000000000000000	31-01-121981
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1sc2CCCCc2c1)C#N	PC-id_4588274	414.541	UHPUICUQTZGNOT-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-121982
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=Cc1sc(cc1)C)C)C#N	PC-id_84882088	414.541	AWIDTCVYOCGSCY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-121983
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=Cc1sccc1C)C)C#N	PC-id_84882265	414.541	BXSOZDMBDBDHRD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-121984
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCSc1ccccc1)C#N	PC-id_41568046	414.541	BMKHGELFSGJVQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121985
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@@H](Sc1ccccc1)C)C#N	PC-id_41731908	414.541	PXVXEZLWLAPAPE-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121986
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@H](Sc1ccccc1)C)C#N	PC-id_41731912	414.541	PXVXEZLWLAPAPE-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121987
s1c2CCCCCc2c(c1NC(=O)COC(=O)CSc1c(cccc1)C)C#N	PC-id_42966302	414.541	UXTGRKYXUQLTQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121988
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(Sc1ccccc1)C)C#N	PC-id_45663056	414.541	PXVXEZLWLAPAPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121989
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CSc1ccccc1)C)C#N	PC-id_84880352	414.541	QCDLXTFCOXOFTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-121990
c1(C(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)c2CCCCCc2[nH]n1	MCULE-7490811676,EMOLS-id_323249590	414.543	GGGFGLLEFWDGJL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-121991
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3ccc(CC)o3)CCn12	PC-id_45248146,MCULE-1706717646,EMOLS-id_20730973	414.544	FGUWZDVZLCHPPS-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-121992
Cc1cc2c(s1)CCC(=O)N(C2=O)CCCC[NH+]1CCN(CC1)c1ncccn1	GLL_PC-id_19881042	414.544	RBBHKEYPTDJQPH-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-121993
Cc1cc(CSc2ncccc2C(=O)Nc2nc3c(s2)CCCCCC3)no1	ZINC22_55375042,MCULE-7238244264,PC-id_53508235,EMOLS-id_35734371	414.544	JVTLTQMJWWLSKG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-121994
C=C1CN(Cc2c(N1)n(C)nc2)C(=O)C1CCC(CC1)CNC(=O)C1CCNCC1	PC-id_143188787	414.544	CQPUGPQNQNLGSU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-121995
CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCN(C)CC4)n3CC2)o1	ZINC22_15004457,CoCoCo_1618035,PC-id_26360140,CoCoCo_1618036,CoCoCo_1618034,CoCoCo_1618033	414.544	FGUWZDVZLCHPPS-MRXNPFEDSA-N	00000000101010000101000000000010000000000000000000000000	31-01-121996
CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCN(C)CC4)n3CC2)o1	ZINC22_15004459,CoCoCo_1618040,PC-id_26360143,CoCoCo_1618039,CoCoCo_1618037,CoCoCo_1618038	414.544	FGUWZDVZLCHPPS-INIZCTEOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-121997
CCNC(=NCc1ccc(c(c1)OC)OC)NCCCc1nnc2n1CCCCC2	PC-id_111201278	414.544	AJPLKFIOTKHHJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121998
CCNC(=NCc1ccc(cc1OC)OC)NCCCc1nnc2n1CCCCC2	PC-id_111879171	414.544	JRTZBMCPUISHRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-121999
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1cccc(c1)OC(C)C)O	PC-id_109491628	414.544	HANXXQWHRSQHBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122000
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccc(cc1)OC(C)C)O	PC-id_109493915	414.544	KZVJKCFDIVLMNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122001
CCNC(=NCc1nnc2n1CCCCC2)N(CCc1ccc(c(c1)OC)OC)C	PC-id_111241511	414.544	DEPYLKOYEYFZLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122002
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc(c(c1)OC)OC	PC-id_111215029	414.544	JWNWKGFWIHAJPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122003
CCNC(=NCCCc1nnc2n1CCCCC2)Nc1ccc(c(c1)OCC)OC	PC-id_109578533	414.544	OZWXPGSVNOLGJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122004
CCNC(=NCCCc1nnc2n1CCCCC2)Nc1ccc(c(c1)OC)OCC	PC-id_109581511	414.544	YEQWPHDQVFWKCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122005
CCNC(=NCCCc1nnc2n1CCCCC2)NCCOc1ccc(cc1)OC	PC-id_111410307	414.544	MTZMKQYCZXTPMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122006
CCNC(=NCC(Oc1cccc(c1)OC)C)NCCc1nnc2n1CCCCC2	PC-id_111679036	414.544	BZFLTVFOHXUYLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122007
CCNC(=NCC(Oc1ccccc1OC)C)NCCc1nnc2n1CCCCC2	PC-id_111682288	414.544	VDXYMWLJBLJFPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122008
CCOc1cc(ccc1OCC)C(NC(=NC)NCc1nnc2n1CCCCC2)C	PC-id_111297927	414.544	IZJGYVAGIVBXBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122009
CCOc1cc(CCCNC(=NC)NCc2nnc3n2CCCCC3)ccc1OC	PC-id_111574175	414.544	FLKAMSALESWMNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122010
CCOc1cc(CCNC(=NC)NCc2nnc3n2CCCCC3)ccc1OCC	PC-id_111245957	414.544	OAAXRGTYONNVCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122011
CCOCCCNC(=NCc1ccc(cc1)OC)NCc1nnc2n1CCCCC2	PC-id_110924658	414.544	JIBWSONOBHPHQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122012
CCOCCOc1cc(C)ccc1CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_109599598	414.544	PXJGMTBSXKTRGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122013
CN=C(NCCc1ccc(c(c1)OC)OC)NCCCc1nnc2n1CCCCC2	PC-id_111215191	414.544	KJVVTWLSMPUKOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122014
CN=C(NCC(Oc1ccccc1OC)C)NCCCc1nnc2n1CCCCC2	PC-id_111683068	414.544	KCTKKOAIPCNWSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122015
COc1ccc(c(c1)C(NC(=NC)NCCCc1nnc2n1CCCCC2)C)OC	PC-id_111378386	414.544	GWUYITDHSHLIKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122016
COc1ccc(c(c1)OC)CN(C(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111297409	414.544	KXOMWNBWBYWUDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122017
COc1ccc(cc1)OCCN(C(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111363613	414.544	BXLIJMJQCRZRKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122018
COc1cccc(c1)OC(CNC(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111679676	414.544	XTUGYEMNBRGWCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122019
COCCCOc1cccc(c1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109460690	414.544	XQWUHZMGPWZVEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122020
COCCCOc1cc(C)ccc1CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_109603694	414.544	QPVBXWWRONEEPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122021
COCCOc1cc(C)ccc1CN=C(NCc1nnc2n1CCCCC2)NCC	PC-id_109625032	414.544	MHOJUFIIJRPWPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122022
COCCOc1cc(C)ccc1CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_109625054	414.544	ODBCZMLEALDRFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122023
O=C(/N=c
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s1c2CCCCCc2cc1C(=O)NNC(=O)c1sc2nc(nc(c2c1C)C)C	PC-id_37722287	414.544	IISALMFMYDEDCH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122025
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(cc(c2c1N)C)C)C(=O)N	PC-id_23832712	414.544	BMVMSFCLNCIKHX-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-122026
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(nc(c2c1C)C)C)C(=O)N	PC-id_56500349	414.544	JRRGEJXTUBADJI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122027
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(ccc2c1N)C)C(=O)N	PC-id_24083685	414.544	WCOGBGLJQKINJI-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-122028
c1ccc(cc1)CCn1cc2c(n1)C(=N[C@@H](CN2)Cc1ccccc1)NC1CNCC1	PC-id_142703382	414.546	UBZQEGUVVGYZJZ-FOIFJWKZSA-N	00000010100000110111000000000010000000000000000000000000	31-01-122029
Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_52284385,ZINC22_48253161	414.548	JIPWXRLJEINMQA-KRWDZBQOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-122030
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_48253159,PC-id_52284383	414.548	JIPWXRLJEINMQA-QGZVFWFLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-122031
CC(C(=O)Nc1c(C)nn(c1C)C)N1CCN(CC1)Cc1nnc2n1CCCCC2	MCULE-5885909023,EMOLS-id_31953739,PC-id_47035030	414.548	JIPWXRLJEINMQA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-122032
C[C@@H](C1=Cc2c(C=CC=C1)scn2)N1CCN(CC1)c1nnc(s1)NC(=O)C	PC-id_137181517,SCHEMBL19304475	414.548	FQYHHRBRBWMLOF-ZDUSSCGKSA-N	00000000100010000111100000000010000000000000000000000000	31-01-122033
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)Cc1ccon1	PC-id_109505247	414.548	PADXNKSRRNLEGQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-122034
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCOC(C1)c1cnn(c1)C	PC-id_109535626	414.548	PGWSKLBCHSEGEC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-122035
CN=C(N1CCN(CC1)Cc1noc(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_111378584	414.548	GYXRDPLQXHDZCK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-122036
c1(c2CCCCCc2sc1NC(=O)c1cc(oc1C)C)C(=O)NC1CCCCC1	CoCoCo_6805169,EMOLS-id_4095562,ZINC22_6527757,TIMTEC105930,MCULE-3205542283,PC-id_17371327	414.561	CPUFAEOMFLXAIA-UHFFFAOYSA-N	00000000101010000100000000000010000000000000000000000000	31-01-122037
c1(c2CCCCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccc(cc1)OCC	PC-id_1047345,EMOLS-id_8221389,ZINC22_722390,TIMTEC36424,SPECS-id_AG-667/37281046,MCULE-3143350195,CoCoCo_5996124	414.561	SUYCRYANDVPRED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122038
c1(c2CCCCCc2sc1NC(=O)C(C)(C)C)C(=O)Nc1ccccc1OCC	PC-id_2883963,MCULE-1808988225,EMOLS-id_2386598,ChEMBL-DNDi_CHEMBL6066619,ZINC22_4503165,TIMTEC460078,ChEMBL-DNDi_CHEMBL3261-1016,CK1238709,CoCoCo_1731288	414.561	SUYQJRXVZGFBLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122039
c1(NC(=O)c2ccccc2OC)sc2c(CCCCCCCCCC2)c1C(=O)N	MCULE-2529296393,EMOLS-id_5127264,PC-id_1747388,TIMTEC564598,ZINC22_2090138,CoCoCo_6922467,SPECS-id_AK-968/15605229	414.561	YBPJFUJDBWLDAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122040
COc1ccc(cc1)C(N1CCOCC1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_17453967,EMOLS-id_13479781,MCULE-3816361387	414.561	DIYJEQKKKDXIKW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122041
COc1ccc([C@@H](CNC(=O)c2cc3c(s2)CCCCC3)N2CCOCC2)cc1	CoCoCo_3644074,PC-id_25960453,ZINC22_14141809	414.561	DIYJEQKKKDXIKW-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122042
COc1ccc([C@H](CNC(=O)c2cc3c(s2)CCCCC3)N2CCOCC2)cc1	PC-id_25960455,CoCoCo_3644073,ZINC22_14141810	414.561	DIYJEQKKKDXIKW-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122043
COc1ccc(CN2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1OC	ZINC22_23740697,CoCoCo_3888965,EMOLS-id_3684929,MCULE-9257285728,PC-id_9291530	414.561	HHNAULJJWGVYCG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122044
COc1ccc(OC)c(CN2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)c1	CoCoCo_3201889,MCULE-5730504685,EMOLS-id_11851225,ZINC22_23818256,PC-id_16383995	414.561	LMWNFJIXCIRRAN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122045
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s1c2CCCCCCc2cc1C(=O)N[C@@H](CC)c1c(OCC(=O)NC)cccc1	PC-id_52699149	414.561	ISNLFFXUYXKTDU-SFHVURJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122056
s1c2CCCCCCc2cc1C(=O)N[C@H](CC)c1c(OCC(=O)NC)cccc1	PC-id_52699150	414.561	ISNLFFXUYXKTDU-GOSISDBHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122057
s1c2c(CCCCCCCCCC2)c(c1NC(=O)c1ccncc1)C(=O)OCC	PC-id_24153734	414.561	GDDAQRXXXAVEEI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-122058
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s1c2CCCCCCc2c(c1NC(=O)CC(c1ccccc1)c1ccccc1)C#N	PC-id_3373076	414.562	ZGKQVRSIJYEXMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122061
CCNC(=NCC(c1cccc(c1)F)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111625208	414.563	SQDLQMBARSUGEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122062
c12C(=O)N(CCCn1nc(C(=O)NCCCSCCC)c2)Cc1ccc(cc1)C	PC-id_16028401,MCULE-1889281373,CHEMBL1355130,CoCoCo_2544559,EMOLS-id_24406134	414.564	PFZSTRPLBXLRMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122063
c1(c2CCCCCCc2sc1NC(=O)c1ccnn1C)C(=O)NC1CCCCC1	MCULE-4993277819,CoCoCo_6806874,ZINC22_6827573,PC-id_17372183,EMOLS-id_4095606,TIMTEC525407	414.564	WJVQMNCORHJBAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-122064
c1(C(=O)N(C)Cc2c3CCCCCc3[nH]n2)sc2c(C3(CCNCC3)OCC2)c1	EMOLS-id_337772284,ZINC22_2356135973,MCULE-4597785888	414.564	AZGXUXIUSRCCRO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-122065
c1(NC(=O)CCC(=O)Nc2ccc(N(CC)CC)cc2)sc2c(CCCCC2)n1	EMOLS-id_335062850,MCULE-6535294692	414.564	JSLJFMRLDRTYFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122066
C[C@H]1CC[C@@H](CC1)C(=O)N1CCc2nc(C(=O)NCc3cccs3)n(C)c2CC1	EMOLS-id_313785746,ZINC22_1565556123	414.564	NPTDWSCYPKLWMQ-WKILWMFISA-N	00000000100110000101000000000010000000000000000000000000	31-01-122067
COc1ccc(cc1)CN1CCCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825130	414.564	KEYSKQRPHJEZSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122068
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)CC(C)C)COC	PC-id_74804073	414.564	VYCKYCQVVNRZER-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-122069
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC)CC(C)C)COC	PC-id_74804102	414.564	MIIFBBWZSATLIT-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-122070
O=C(NCc1n2CC[NH+](CC(CCC=C(C)C)C)CCc2nn1)c1c(oc(c1)C)C	PC-id_74497869	414.564	AZWYUZJTAYIZQH-UHFFFAOYSA-O	00000000101000000101000000000010000000000000000000000000	31-01-122071
O=C(NCc1n2CC[NH+](C[C@H](CCC=C(C)C)C)CCc2nn1)c1c(oc(c1)C)C	PC-id_26336021	414.564	AZWYUZJTAYIZQH-KRWDZBQOSA-O	00000000101000000101000000000010000000000000000000000000	31-01-122072
O=C(NCc1n2CC[NH+](C[C@@H](CCC=C(C)C)C)CCc2nn1)c1c(oc(c1)C)C	PC-id_26336023	414.564	AZWYUZJTAYIZQH-QGZVFWFLSA-O	00000000101000000101000000000010000000000000000000000000	31-01-122073
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)CC(C)C)COC	PC-id_42449397	414.564	VYCKYCQVVNRZER-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-122074
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)CC(C)C)COC	PC-id_42449398	414.564	VYCKYCQVVNRZER-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-122075
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC)CC(C)C)COC	PC-id_42449604	414.564	MIIFBBWZSATLIT-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-122076
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC)CC(C)C)COC	PC-id_42449605	414.564	MIIFBBWZSATLIT-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-122077
s1c2c(CCCCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)N1CCCC1)C#N	PC-id_36333932	414.564	INABRUGDESFZPC-UHFFFAOYSA-N	00000010100010000100000000000010000000000000000000000000	31-01-122078
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)c1ccccc1	PC-id_30376906	414.564	XMKHSAZPEQFMPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122079
Cc1cc(nc(n1)C(C)C)N1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825135	414.567	ZXBYPPWCHSKSFL-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-122080
CC(C)Sc1ncccc1C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_45899899,ZINC22_40121113,EMOLS-id_30256895,MCULE-5558207640	414.567	BQWMEMXXEPODBE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-122081
C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4175561,ZINC22_7363626,PC-id_8459356	414.567	ASHIPURAFWJQDG-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122082
C[C@H](Sc1ncnc2sccc12)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_7363624,CoCoCo_4175560,PC-id_8459354	414.567	ASHIPURAFWJQDG-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-122083
N#Cc1c(NC(=O)C(Sc2ncnc3c2ccs3)C)sc2c1CCCCC2	EMOLS-id_11765143,PC-id_16328783,MCULE-6926249865	414.567	ASHIPURAFWJQDG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122084
s1c2CCCCCc2c(c1NC(=O)C(Sc1ncnc2c1scc2)C)C#N	PC-id_24559112	414.567	AJEOTGLJJJTBIJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122085
c12-c(c(cc(cc1C)C)C=CC=CC=CC=Cc1c3-c(c(cc(c1)C)C)ccc3)ccc2	PC-id_86109602	414.581	YGDXEAYGUNTDAS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-122086
C(c1ccc2-c(cc1)c(cc2C#Cc1c2-c(ccc(C(C)(C)C)cc2)cc1)C#C)(C)(C)C	PC-id_11495329	414.581	KCDZDGHJZURFQB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-122087
C(c1ccc2-c(cc1)ccc2C#CC#Cc1c2-c(ccc(C(C)(C)C)cc2)cc1)(C)(C)C	PC-id_11654557	414.581	QWUGOYWFAYIAFD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-122088
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CCCCC1)c1cccs1	PC-id_111637430	414.611	HLOZEXQKAUVPST-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-122109
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCc2ccccc12	TIMTEC426720,EMOLS-id_4095612,ZINC22_5948020,MCULE-8896201403,CoCoCo_6799926,PC-id_3273007	414.584	RJVABFGWUGJDNU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-122089
O=C(c1cc(c2-c1ccccc2)C(=O)SN1CCCCC1)SN1CCCCC1	PC-id_102041716	414.584	KKESILDACAKNAT-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-122090
OCC1CCN(CC1)c1ccc(c[nH+]1)CNC(=O)c1sc2c(c1)CCCCCC2	GD-id_ZINC47282666	414.584	LNUGXNVNUNIJHW-UHFFFAOYSA-O	00000000100010101100100000000010000000000000000000000000	31-01-122091
O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cc2c(s1)CCCCCC2	EMOLS-id_48226319,MCULE-3723974228,PC-id_75418692,ZINC22_64432693	414.584	MWUMKQGJIOZWCT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122092
s1c2CCCCCc2cc1C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1	PC-id_56265181	414.584	BNERSZBQRAWLCN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122093
s1c2CCCCCc2cc1C(=O)Nc1c(cc(C(=O)N2CCSCC2)cc1)C	PC-id_56347704	414.584	YEBACNGVXYXSCE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122094
s1c2c(CCCCC2)c(c1NC(=S)N1C(Cc2c1cccc2)C)C(=O)OCC	PC-id_19686731	414.584	GPJYLPRKPMIJII-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-122095
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc2CCCc2cc1)C(=O)OCC	PC-id_19648928	414.584	QVCREQFJVBDRRF-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-122096
s1c2c(CCCCCC2)c(c1NC(=S)N1C(Cc2c1cccc2)C)C(=O)OC	PC-id_19686729	414.584	VJPODMVUSBCNKP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-122097
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc2CCCc2cc1)C(=O)OC	PC-id_19648921	414.584	HFZYWUCMOJZYGE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-122098
c1ccc(CN2CCCn3[nH]c(=NCc4ccc(C5CCCCC5)cc4)cc3C2)cc1	ZINC22_1875356108	414.586	FVQSNJFKEORDBJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-122099
CCc1sc2c(c1)C(=O)N(CCC2)CCCC[NH+]1CCN(CC1)c1ncccn1	GLL_PC-id_19881122	414.587	ZRARSPMGQCTIRX-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-122100
N#Cc1c(NC(=O)CCNC2(c3nccs3)CCCC2)sc2c1CCCCC2	MCULE-1609386324,EMOLS-id_42919714,PC-id_72111144,ZINC22_72308878	414.587	ZKEMVFMLBAOLML-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-122101
s1c2CCCCCCc2cc1C(=O)NC(CCSC)c1n2c(nn1)cccc2	PC-id_55444544	414.587	NUACIVSXKBMQRA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122102
S(c1n2CCCCCc2nn1)CC(=O)c1c(n(CCc2sccc2)c(c1)C)C	PC-id_8521409	414.587	UFYSWETXTPTVSE-UHFFFAOYSA-N	00000000110100000101000000000010000000000000000000000000	31-01-122103
S(=O)(=O)(N1CC[NH+](CC1)Cn1nc2n(c1=S)CCCCC2)c1sccc1	PC-id_8206105	414.589	AJLTZCIKNQJHLY-UHFFFAOYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-122104
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1cn(nc1C(C)C)C)C	PC-id_109839388	414.591	XLLXCNVXOKGLCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122105
CCNC(=NCCCc1nnc2n1CCCCC2)NC(Cc1c(C)nn(c1C)C)C	PC-id_109540762	414.591	BQXQZGDIURQACO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122106
S(c1n2CCCCCc2nn1)CC(=O)NCCc1c(cc(C(C)(C)C)cc1C)C	PC-id_8379435	414.607	GZEABZMUIWPFLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122107
CCNC(=NCc1ccc(cc1SC)C)NCCCc1nnc2n1CCCCC2	PC-id_109681833	414.611	KRRRJYDYFWKAOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122108
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)SC)C	PC-id_111299087	414.611	MIEPHIVDVSEKKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122110
CCNC(=NCC(Sc1ccccc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111677010	414.611	NMNPWNWAXZROCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122111
CN=C(NCC1(CCCCC1)c1cccs1)NCCc1nnc2n1CCCCC2	PC-id_111637188	414.611	DDFRRVGNJGLNGW-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-122112
O=C1C(=CC(=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)C=C1C(C)(C)C)C(C)(C)C	PC-id_10907246	414.622	RFYGZFJAGLEWSB-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-122113
c1(NC(=O)c2csc(CCC)c2)sc2c(CCCCCCCCCC2)c1C#N	SPECS-id_AK-968/41170192,EMOLS-id_4095642,MCULE-8379406286,ZINC22_2111422,PC-id_1766254,CoCoCo_6793550,TIMTEC179275	414.627	GTTRQEIPNJSWGT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-122114
Cc1c(c(ccc1)Cl)C(=O)n1c2c(CCCCC2)c(n1)I	SCHEMBL19768753,PC-id_134168017	414.669	GGXBBXXBGYFUAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122115
Brc1c(Cl)c(OC2CCN(CC(O)(C)C)Cc3occc23)ccc1	PC-id_68410071	414.721	QOHUZEIMRPKICB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122116
C1CC=Cc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)C(F)(F)F	PC-id_87626263,SCHEMBL4140580	414.829	NCRMXIRHABUGOZ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-122117
Clc1cccc(c1)NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1C=CCCC2	SCHEMBL4140411,PC-id_11711349	414.829	NSOREXTZUAKNQK-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-122118
Clc1ccc(C(c2c3-c(oc2=O)ccccc3)c2c3-c(oc2=O)ccccc3)cc1	PC-id_10621756	414.837	WLCQGKKJHQJGIT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-122119
O=C1CCC(=O)OCn2c(c(O1)c(C)n2)Cn1ncc(c1)c1ccc(c(c1)C)Cl	PC-id_140810682	414.842	IVLXHEMHHPJYMP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122120
O=C1CCC(=O)On2nc(CO1)c(CCn1ncc(c1)c1ccc(cc1)Cl)c2C	PC-id_140810654	414.842	HGIHXBDHQDTIEM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122121
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)Cc1ncccc1Cl	SCHEMBL18367256	414.849	JDSFDPBSPPPYRO-ZDUSSCGKSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122122
Clc1c(N2CCN(CC2)Cc2n3CCCCCc3nn2)ncc(c1)C(F)(F)F	PC-id_46697813	414.856	FLZZWNUPBZPFFF-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-122123
Fc1cccc(Cn2nc3CCCCC(C(=O)Nc4cccc(Cl)c4)n3c2=O)c1	EMOLS-id_207869502,MCULE-5471845611	414.861	CGTJLBOQGSLMSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122124
Clc1c(CN2CCn3c(nnc3CNC(=O)c3ccncc3)CC2)c(F)ccc1	PC-id_56854478	414.864	KTLLGEKZKGMURW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-122125
Clc1nccc(c1)NC(=O)c1n(C)cc2c1OC[C@@H](NS2(=O)=O)C(O)(C)C	SCHEMBL18353537	414.864	JQHPKKYOADNBMG-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122126
Clc1nccc(c1)NC(=O)c1n(C)cc2c1OCC(NS2(=O)=O)C(O)(C)C	PC-id_140762796	414.864	JQHPKKYOADNBMG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122127
Fc1cccc(Cl)c1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1	MCULE-1831318182,ZINC22_19939746,EMOLS-id_20659535,CoCoCo_1508491,PC-id_28464940,CoCoCo_1508492	414.864	UPIRVTWPQINZOU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-122128
COCCn1cc(c2c1CC=CC=C2Cl)C(=O)NCC1(O)CCCC(C1)(F)F	SCHEMBL21134643,PC-id_139292257	414.874	BIDAGOVTRGUREK-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-122129
Clc1c(C2OC(C(O)C(O)C2O)CO)cc(Cc2cc3-c(c2)ccccc3)cc1	PC-id_78156020	414.879	HRPXJLWLTSRHQZ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-122130
Clc1c(cc(C2OC(C(O)C(O)C2O)CO)cc1)Cc1cc2-c(c1)ccccc2	PC-id_74943534	414.879	NXDMHNUITWCVIK-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-122131
Clc1c(cc([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc1)Cc1cc2-c(c1)ccccc2	PC-id_44184119,BindingDB_PC-id_44184119	414.879	NXDMHNUITWCVIK-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-122132
Clc1c([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc(Cc2cc3-c(c2)ccccc3)cc1	PC-id_71713605,BindingDB_PC-id_71713605	414.879	HRPXJLWLTSRHQZ-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-122133
Clc1cc(C[NH+]2CCn3c(nnc3CNC(=O)c3cc(F)ccc3)CC2)ccc1	PC-id_42162318	414.884	NHIBQXPPDXTDAV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-122134
O=C1[C@H](CCc2c(N1C)cc(s2)Cl)NC(=O)c1noc(c1)Cc1cc[c+]cc1	PC-id_141654967	414.885	SSEPOHHFVOYPLF-AWEZNQCLSA-O	00000000100010110101000000000010000000000000000000000000	31-01-122135
Clc1ccc(NC(=O)CN(CC(=O)C(=C2N3CCCCCC3=NN2)C#N)C)cc1	PC-id_84843372	414.889	AJTBJEPKQOSHBL-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-122136
Clc1ccc(NC(=O)CN(CC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)C)cc1	PC-id_8815975	414.889	AJTBJEPKQOSHBL-CAPFRKAQSA-N	00000011000000110111000000000010000000000000000000000000	31-01-122137
Clc1c(NC(=O)CN(CC(=O)C(=C2N3CCCCCC3=NN2)C#N)C)cccc1	PC-id_84851078	414.889	FBEVXUKDEWHDJS-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-122138
Clc1c(NC(=O)CN(CC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)C)cccc1	PC-id_8843461	414.889	FBEVXUKDEWHDJS-XSFVSMFZSA-N	00000011000000110111000000000010000000000000000000000000	31-01-122139
CN(C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)CC(=O)Nc1ccc(cc1)Cl	PC-id_135573719	414.889	DHQKUPYYMPVBGS-MSUUIHNZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122140
CN(C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)CC(=O)Nc1ccccc1Cl	PC-id_135718324	414.889	ACFWSWLWSRNYSC-VKAVYKQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-122141
c1(c2CCCCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccc(cc1)Cl	ChEMBL-DNDi_CHEMBL5586357,PC-id_1248439,BAS-00486733,ZINC22_1057511,MCULE-9532317299,CoCoCo_81728,EMOLS-id_1230927	414.905	XOCBYLNMQDMMNH-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-122142
c1(NC(=O)c2ccc(c3ccc(cc3)Cl)o2)sc2c(CCCCC2)c1C(=O)N	MCULE-7672991633,CoCoCo_564113,PC-id_2234314,EMOLS-id_1832189,ZINC22_2882007,SPECS-id_AN-153/I250795	414.905	FLMTXEKUAPMYQB-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-122143
Clc1cc(ccc1C(=O)N1CCCCc2c1ccs2)NC(=O)c1ccoc1C	PC-id_57304879,SCHEMBL8801105	414.905	PYTOKYSWNKBBSF-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-122144
Clc1sc2c(c1)N(CCCC2)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C	SCHEMBL6993554,PC-id_69955236	414.905	QWOWMVFYGSJXLP-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-122145
Clc1sc2c(c1)N(CCCC2)C(=O)c1ccc(cc1)NC(=O)c1occc1C	PC-id_69954951,SCHEMBL6992490	414.905	ONIIHOIMZXOFLF-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-122146
NC(=O)c1c(NC(=O)c2ccc(c3cccc(Cl)c3)o2)sc2c1CCCCC2	ZINC22_6471438,PC-id_4387291	414.905	XYSNCXXLSKLWFD-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-122147
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(cc3)Cl)n2)/sc2c(CCCCC2)[nH]1	EMOLS-id_46561042,EMOLS-id_35788678,MCULE-4302851472,ZINC22_61720698,PC-id_52901312,STOCK7S-15230	414.908	ZHPXKQKIHXSOGW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122148
c
(=N/C(=O)Cn2c(=O)ccc(c3ccccc3Cl)n2)/sc2c(CCCCC2)[nH]1	ZINC22_71280144,EMOLS-id_46559277,MCULE-8594609547,STOCK7S-17979,EMOLS-id_36506705,PC-id_53367656	414.908	GPHLONOCLZASFU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122149
Clc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCc2sccc2)cc1	PC-id_50797859	414.908	BCJMYDRYDYVPGT-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-122150
Clc1cc(n2nc(C(=O)Nc3sc4c(CCCCC4)c3C(=O)N)cc2)ccc1	PC-id_60546504	414.908	XOHFXAYUOWOSEF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122151
Clc1nc2n(c1C=CC(=O)NNC(=O)c1sc3CCCCCc3c1)cccc2	PC-id_84974418	414.908	MABFZONGVXBEPX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122152
Clc1nc2n(c1/C=C/C(=O)NNC(=O)c1sc3CCCCCc3c1)cccc2	PC-id_9301007	414.908	MABFZONGVXBEPX-MDZDMXLPSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122153
O=C(c1ccc(=O)n(n1)c1ccc(c(c1)Cl)C)Nc1nc2c(s1)CCCCC2	GD-id_ZINC30037961	414.908	BYKABTWRFSXJFZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122154
CCOC(=O)c1nc2c(s1)N(S(=O)(=O)c1cccc(C)c1Cl)CCCC2	ZINC22_328594081,MCULE-7970616771,EMOLS-id_76028076,PC-id_121568050	414.927	OBWJGXLKDYLTGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122155
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCCC1)c2)Cc1ccc(cc1)Cl	PC-id_20964778,CoCoCo_2544612,MCULE-2499403179,EMOLS-id_16324768	414.928	QUAXKNOURGFVRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122156
Clc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NCc1n[nH]c2CCCCCc12	MCULE-3171672642,EMOLS-id_222792613,ZINC22_670473304	414.928	ACUYVHNGPVBLLH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122157
Clc1ccc(cc1)N1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)ccn2C	PC-id_10501963,SCHEMBL6773605	414.928	YKHMVNJCEUKESY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-122158
CN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(O)Nc2c1cc(Cl)cc2)C	PC-id_145511727	414.928	ONFSAXCGCWPKJR-VBKFSLOCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-122159
CN(C)S(=O)(=O)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1	ZINC22_1251064161,EMOLS-id_313728470	414.93	KIALXTQEUDKGIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122160
CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc3n2CCCCC3)c1	PC-id_9207238,CoCoCo_3082027,MCULE-2486521324,EMOLS-id_11782351,ZINC22_8074497	414.93	FEZGKGLXJYZXKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122161
c1(C(=O)N(C)C)nc2n(cc(cc2)Cl)c1CN(C)Cc1c2CCCCCc2[nH]n1	EMOLS-id_20573423,CoCoCo_1378549,ZINC22_19146660,CoCoCo_1378548,CoCoCo_1378550,MCULE-1175647330,PC-id_28078587,CoCoCo_1378547,Chemmine_30408	414.932	VIBNQCBXIOQZDO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122162
CC1C=C(c2c(NC1=NCCN1CCOCC1)n(nc2)C)Nc1ccc(cc1)Cl	SCHEMBL13944182,PC-id_136594646	414.932	INWDUBZQJWHRDT-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-122163
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1cccc(c1)Cl	PC-id_89607997,SCHEMBL15002086	414.952	ZNRYGOYYRAGSQQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122164
Clc1ccc(n2c(c(cc2C)C(=O)CSc2n3CCCCCc3nn2)C)cc1	PC-id_7876886	414.952	QVIGQJAERUNBNZ-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-122165
c1(C(=O)Nc2sc3c(CCCCCC3)c2C#N)c(Cl)c2c(cc(cc2)C)s1	MCULE-4587722561,SPECS-id_AK-968/11986214,EMOLS-id_5351014,CoCoCo_6255419,PC-id_1740909,ZINC22_2081593	414.971	ISOZHORCUNKSOE-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-122166
CCn1cc2c(c1)C(=O)N(CCC2)CCCN1CCN(CC1)c1ccc(cc1)Cl	SCHEMBL6779841,PC-id_22738115	414.971	XASYXEOFCJQCLW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-122167
CCn1ccc2c1CCCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)Cl	PC-id_22737918,SCHEMBL6776174	414.971	PUOISCPGBFVVAN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-122168
Clc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)c(C)cn2C	PC-id_22737897,SCHEMBL6774335	414.971	CRAANHXWOBDRAX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-122169
Clc1ccc(N2CCN(CCCN3CCC(c4n(ccc4C3=O)C)C)CC2)cc1	PC-id_21304042	414.971	VRHLIRFIYVSGSG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-122170
CCNC(=NCC1(CC1)c1cccc(c1)Cl)NCCc1nnc2n1CCCCC2	PC-id_111639846	414.975	HJFFQUVBETZQAW-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-122171
CN=C(NCC1(CC1)c1cccc(c1)Cl)NCCCc1nnc2n1CCCCC2	PC-id_111640280	414.975	AOJZPXRMFYKTIV-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-122172
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)CC[C@@H](NS2=O)C=C	PC-id_154682110	415.098	APXFWSNYPAOSAD-BMPWMAOISA-N	00000000100000110101000000000010000000000000000000000000	31-01-122173
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)CCC(NS2=O)C=C	PC-id_154682108	415.098	APXFWSNYPAOSAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122174
Brc1cc(OC2CCN(Cc3oc(cc23)C)C)ccc1Br	SCHEMBL2838705,PC-id_68409634	415.12	TYESBAMBBBHVRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122175
CN1C2=C(N(N=C2)C)OC[C@@H](C1=O)CC(=O)C3=CN(C=N3)CC4=CC(=C(C=C4)F)F	PC-id_148660410	415.146	NNQZKAJLUWHMIB-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122176
CN1C=C2C(=C1C(NC3=CC(=C(C=C3)F)C#N)O)C=C[C@@H](NS2(=N)=O)CC4CC4	PC-id_154991295	415.148	VJLJMYSVUNSWQE-BFKYYYSJSA-N	00100000100000110111000000000010000000000000000000000000	31-01-122177
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@H](NS2(=N)=O)CC4CC4	PC-id_154991274	415.148	INNLNUQYYZQFQJ-YHVXIASJSA-N	00100000100000110101000000000010000000000000000000000000	31-01-122178
CC1=NN2CCC(C(=O)N(C2=C1)C)NC(=O)C3=NN(C=N3)CC4=CC(=CC(=C4)F)F	PC-id_149644265	415.157	AHSYLDVINZRUSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122179
CN1C2=CC=NN2CC[C@@H](C1=O)CNC(=O)C3=NN(C=N3)CC4=C(C=C(C=C4)F)F	PC-id_147448725	415.157	DXQKGFCFEFDIDB-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122180
CC1=CC2=C(S1)C(CN(C=C2C(=O)OC(C)C)C(=O)C3=CC(=C(C=C3)F)C)(C)C	PC-id_161579496	415.162	RKHZJOJJAUHEFA-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-122181
CC1=C(C=CC(=C1)C(=O)N2CC(C3=C(C(=CS3)C)C(=C2)C(=O)OC(C)C)(C)C)F	PC-id_161579497	415.162	CTSSRDZDLLZINC-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-122182
C1C=CC=CC=CC=C(C=CN=CC2=CC=CN21)OC(=O)N3CC4=C(C3)C(=CC=C4)F	PC-id_153925689	415.17	WYLZQNLUHYVYQS-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-122183
Brc1c(C(N)c2sc3c(CCCCC3)c2)cc(Br)cc1	PC-id_43464232	415.186	SNLMAMARRMWELY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122184
C1CCc2c(CC1)sc(c2C(=O)O)NC(=O)C(F)(F)I	SCHEMBL20541915,PC-id_135363146	415.195	LHYOHRLETSLVAM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-122185
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=C(N=NC=C3)C	PC-id_155203654	415.222	JZVCFUQBAIFXNV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-122186
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NC=CC(=N3)C	PC-id_155203735	415.222	JVQRLAGETJEJDJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-122187
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NC(=NC=C3)C	PC-id_155203781	415.222	VMDGWCKAAKOXIO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-122188
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CCC(=C3C)C	PC-id_155203719	415.247	GECDWUFLIWMQBP-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-122189
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC(=CC3C)C	PC-id_155203784	415.247	MFJSNHWKFDDERW-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-122190
Cc1cnc(cc1)C(CN1CCC(CC1)NC1=CCN(c2c(C1)cc[nH]2)C)(CF)F	PC-id_163662490	415.255	IVOSGGPFQIMXQC-UHFFFAOYSA-N	00000000100010101110000000000010000000000000000000000000	31-01-122191
Ic1c(NC(=O)c2sc3CCCCCc3c2)ccc(F)c1	PC-id_79760124	415.264	NKJXBFDNJCPVSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122192
C=C/C(=CN(C)C)/C(=O)c1[nH]c2=CC(Br)CC(C=c2c1)OCC(F)F	SCHEMBL20084963,PC-id_134449288	415.272	QMFDRJQIBABLBS-PKNBQFBNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-122193
Brc1ccc(c2n[nH]c(C(=O)NCc3n4CCCCCc4nn3)c2)cc1	PC-id_24676710	415.287	XPKZOTPWFJQYTB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122194
C[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(Nc1ccnc(c1)Br)O)C	PC-id_145221699	415.305	AWJISMCXOBUSEX-HJULIUOESA-N	00000000100000101101000000000010000000000000000000000000	31-01-122195
O=S(=O)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCCn2c(C1)nnn2	PC-id_143775137	415.314	PAQVZHBYRIAABS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122196
Brc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCO)C(=O)Nc2cc1	PC-id_72651857	415.324	VWYPDDFEKIFPPY-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-122197
Brc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCCO)/C(=O)Nc2cc1	SCHEMBL6696870,PC-id_60113774	415.324	VWYPDDFEKIFPPY-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-122198
Brc1cc2NC(=O)C(=Cc3[nH]c4c(CCCCC4)c3CCCO)c2cc1	PC-id_60113746	415.324	FUIBBYOOTYDVCM-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-122199
C1Cn2cc(nc2OCCN1CC(=O)Nc1cc(ccc1)OC(F)(F)F)[N+](=O)[O-]	SCHEMBL14965557,PC-id_89580007	415.324	FFLUDNHVSBZUCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122200
OCCCc1c(/C=C/2C(=O)Nc3c2ccc(c3)Br)[nH]c2c1CCCCC2	SCHEMBL6695451	415.324	FUIBBYOOTYDVCM-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-122201
Brc1ccc(cc1)C(c1ccco1)NCCc1nnc2n1CCCCC2	EMOLS-id_48327602,MCULE-8682678953,PC-id_75449528	415.327	XWCYOLVQPLGVOW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-122202
Brc1ccc([C@@H](NCCc2nnc3n2CCCCC3)c2ccco2)cc1	ZINC22_95466825,PC-id_97261124	415.327	XWCYOLVQPLGVOW-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-122203
Brc1ccc([C@H](NCCc2nnc3n2CCCCC3)c2ccco2)cc1	ZINC22_95466826,PC-id_97261125	415.327	XWCYOLVQPLGVOW-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-122204
Brc1ccc(C=CC(=O)Nc2sc3CCCCCCc3c2C#N)cc1	PC-id_4385404	415.347	VRWXIRPLLFMFIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122205
Brc1ccc(/C=C/C(=O)Nc2sc3CCCCCCc3c2C#N)cc1	PC-id_6086411	415.347	VRWXIRPLLFMFIT-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122206
O=Cc1nn(c2c1CCCCC2Cc1cccc(c1)Cl)CC1=CC=C(CC1)Cl	PC-id_145479688	415.355	CFXMFNHOQNJOBI-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-122207
Brc1ccc(C2=CCN(CCCc3onc4c3CCCCC4)CC2)cc1	PC-id_59939380,SCHEMBL7964116	415.367	YVEPZWGOYVYAGM-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-122208
COC(=O)C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353499	415.369	JVVGFIWWVXVOKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122209
Brc1ccc(C2=CCN(CCCc3n4CCCCCc4nn3)CC2)cc1	SCHEMBL7959188,PC-id_59939412	415.37	PULLFXRGACCJHX-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-122210
Brc1c2CS(=O)(=O)CCCCCCS(=O)(=O)Cc1sc2C	PC-id_10645501	415.387	HRDLMVAHTNWFII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122211
CC([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C)O	PC-id_139471281,SCHEMBL21337280	415.387	UESJZZNESAYQNC-AZMWARKLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-122212
C[C@@H]([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C)O	SCHEMBL18352937	415.387	UESJZZNESAYQNC-ISVAXAHUSA-N	00000000100000110111000000000010000000000000000000000000	31-01-122213
C[C@@H](N1C=Cc2c(S(=O)(=O)C1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C)O	PC-id_139462823,SCHEMBL21327959	415.387	FIEVRSWDJHFHAR-VIFPVBQESA-N	00000000100000110111000000000010000000000000000000000000	31-01-122214
CC(=O)[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C	PC-id_140762689	415.387	FDLNVTCOHWPWME-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122215
O=C(NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1cc2n(c1)CCCNC2=O	ZINC22_2325861888	415.387	BPDVUXOHKDHBSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122216
NC(=O)C(=O)c1c(C)n(c2c1C(C=CC=C2)OC(C(=O)N)(F)F)Cc1ccccc1	PC-id_143459443	415.39	SRHLXSWUADLVKK-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-122217
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(cc([N+](=O)[O-])cc1)C(F)(F)F	PC-id_7877578	415.39	SWCWYFURRFXBQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122218
S(c1n2CCCCCc2nn1)CC(=O)Nc1c([N+](=O)[O-])cc(cc1)C(F)(F)F	PC-id_7877590	415.39	NTZRBFHRKDYHMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122219
Fc1ccc(c(c1)Cn1cnc(n1)C(=O)NC1CCn2c(N(C1=O)C)cnc2C)F	SCHEMBL19641435	415.397	QMDDGMJVBUFSLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122220
Fc1ccc(c(c1)Cn1cnc(n1)C(=O)NC1CCn2c(N(C1=O)C)c(nc2)C)F	SCHEMBL19641456	415.397	KFHJDSPJPAMQTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122221
Fc1ccc(c(c1)Cn1cnc(n1)C(=O)NC1CCn2c(N(C1=O)C)nc(c2)C)F	PC-id_140764809	415.397	CJWOAHKHKLBAQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122222
Fc1ccc(c(c1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C)F	SCHEMBL18372795	415.397	ZYMRMBSZISQDKM-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122223
Fc1ccc(c(c1)Cn1cnc(n1)C(=O)N[C@@H]1CCn2c(N(C1=O)C)c(nc2)C)F	SCHEMBL18366839	415.397	KFHJDSPJPAMQTO-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122224
Fc1ccc(c(c1)Cn1cnc(n1)C(=O)N[C@@H]1CCn2c(N(C1=O)C)cnc2C)F	SCHEMBL18367063	415.397	QMDDGMJVBUFSLM-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122225
Fc1ccc(c(c1)Cn1cnc(n1)C(=O)N[C@@H]1CCn2c(N(C1=O)C)nc(c2)C)F	SCHEMBL18367270	415.397	CJWOAHKHKLBAQD-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122226
Fc1ccc(c(c1)F)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366422	415.397	HOMYOTDKFBKPQF-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122227
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Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)N(CC)C)C)cc1	PC-id_46049531	415.461	BEVNIBPJXUHWIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122304
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCCC)C)cc1	PC-id_46049807	415.461	SQJBQGPQUHFCAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122305
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NC(C)C)C)cc1	PC-id_46049817	415.461	YYLIKROTJZYEFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122306
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)N(CC)C)C)cc1	PC-id_46159882	415.461	RAKLNZDCJQXTQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122307
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)NCC(C)C)cc1	PC-id_46159946	415.461	ZRVKVEXOWQUJIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122308
Fc1cc(C(=O)N2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1C	PC-id_55869065	415.461	WVWFGGHSKJFEEO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122309
Fc1c(C(=O)N2CCC(NC(=O)Cn3nc4n(CCCCC4)c3=O)CC2)cccc1	PC-id_55838391	415.461	WBUOJCUFWPPCHX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122310
Fc1c(C(=O)N2CCN(CCC2)C(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_78851319	415.461	WUMUBYVSLYZPOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122311
O=C(Nc1oc(c2c1c(=O)[nH]nc2C)C)COC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3915851,PC-id_4791552	415.463	SBQJUIQKSVHDNM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122312
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc2OCOc2cc1	PC-id_24554111	415.463	UNFCRYWIPKOZKS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-122313
s1c2c(CCCCC2)c(c1NC(=O)c1c2c(oc1C)ncn(c2=O)C)C(=O)OC	PC-id_55762762	415.463	WDBUDZICASDDBC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122314
s1c2c(CCCCC2)c(c1NC(=O)CCc1onc(n1)c1occc1)C(=O)OC	PC-id_52638619	415.463	AGUNGAGQRKSXKS-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-122315
s1c2CCCCCc2c(c1NC(=O)[C@@H](Oc1c([N+](=O)[O-])cc(OC)cc1)C)C#N	PC-id_8886750	415.463	ALRKNVBOYLEOSD-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122316
s1c2CCCCCc2c(c1NC(=O)[C@H](Oc1c([N+](=O)[O-])cc(OC)cc1)C)C#N	PC-id_8886754	415.463	ALRKNVBOYLEOSD-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122317
s1c2CCCCCc2c(c1NC(=O)C(Oc1c([N+](=O)[O-])cc(OC)cc1)C)C#N	PC-id_24497910	415.463	ALRKNVBOYLEOSD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122318
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCNC(=O)c1occc1)C#N	PC-id_29503695	415.463	ZAAHWXDWTZPMRQ-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-122319
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1occc1)C)C#N	PC-id_51900012	415.463	CQTLYZWUWXEFPU-LBPRGKRZSA-N	00000000101000000100000000000010000000000000000000000000	31-01-122320
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@H](NC(=O)c1occc1)C)C#N	PC-id_51900013	415.463	CQTLYZWUWXEFPU-GFCCVEGCSA-N	00000000101000000100000000000010000000000000000000000000	31-01-122321
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(NC(=O)c1occc1)C)C#N	PC-id_45628356	415.463	CQTLYZWUWXEFPU-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-122322
COc1cc(C(=O)N2CCc3nc(C(=O)NCc4cccs4)n(C)c3CC2)on1	ZINC22_1565556309,EMOLS-id_313785490	415.466	CGFOYHFVWHPMND-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-122323
COC(=O)c1c(NC(=O)Cn2cnc3c(cnn3C)c2=O)sc2c1CCCCC2	EMOLS-id_11992435,CoCoCo_3693368,PC-id_17430042,MCULE-2605973000,ZINC22_8849662	415.466	KKEHQFYSDWLXAR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122324
S1CC(=O)N(Cc2ccc(NC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)C1=O	PC-id_56341457	415.466	UAPFDXXLXKQBMQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122325
[se]1cc2SCC(Cc3ccccc3)(Cc3ccccc3)CSc2c1	PC-id_59566419	415.474	MDWAXFRTBQJYPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122326
s1c2CCCCCc2nc1NC(=O)CCNS(=O)(=O)c1cc(F)c(F)cc1	PC-id_24611819	415.478	HYZVJIBNDGPCRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122327
CCCCCc1c(NC(=O)C)c(c2-c1ccc(cc2)CC(=O)OC)OC(=O)OCC	PC-id_17776110,SCHEMBL8528390	415.479	XKTMAZGIRHKNTR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-122328
CCOC(=O)Oc1c(NC(=O)C)c(c2-c1ccc(cc2)CC(=O)OC)CCC(C)C	PC-id_67631141,SCHEMBL8582757	415.479	RTEQTDGHLMVGQE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-122329
CCNC(=NCc1nnc2n1CCCCC2)NCCc1scc(n1)C(F)(F)F	PC-id_111689410	415.48	KJSLTHNGBQIPNF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122330
CCNC(=NCc1scc(n1)C(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111616012	415.48	GDIHRRCQSXYADL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122331
CN=C(NCc1scc(n1)C(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111617379	415.48	FPHTWZCPKWMXQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122332
CN=C(NCCc1nnc2n1CCCCC2)NCCc1scc(n1)C(F)(F)F	PC-id_111687922	415.48	YOALEIYDQGXWRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122333
O=C1N(CCCc2c3-c(c(c2)C(=O)OC)cc(C(C)C)ccc3)C(=O)c2c1cccc2	PC-id_10093292	415.481	XPCHPOLKNDLUIK-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-122334
O=C1N(CCCc2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)C(=O)c2c1cccc2	PC-id_10319673	415.481	XLVJHVJMQAAWOB-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-122335
O=C1N(CCCCCCc2c3-c(c(c2)C(=O)OC)ccccc3)C(=O)c2c1cccc2	PC-id_10251277	415.481	HVDYWCZFVHGFHP-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-122336
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CN(C(=O)C1)c1c(F)cccc1	PC-id_43017954	415.481	TXQVIFKEBBJWMO-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-122337
[O-]C(=O)COCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCCC2	GD-id_ZINC17090657,PC-id_27525166	415.483	VIKZIGRYBZMRQL-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-122338
s1c2CCCCCc2cc1C(=O)NN=C(c1cc(OC)c(OCC(=O)[O-])cc1)C	PC-id_78620790	415.483	RJUUYWAQBBGGEN-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-122339
s1c2CCCCCc2cc1C(=O)N/N=C(c1cc(OC)c(OCC(=O)[O-])cc1)/C	PC-id_8159498	415.483	RJUUYWAQBBGGEN-XKZIYDEJSA-M	00000000100000110100000000000010000000000000000000000000	31-01-122340
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1ccc(OC)cc1	PC-id_7278951	415.483	PVMYJHRPBVKFJQ-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-122341
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_27525179	415.483	XABNMMPEFJIHEE-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-122342
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_1915035	415.483	DFGDSWGIYUFWQJ-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-122343
s1c2c(CCCCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)Nc1cc(ccc1)C	PC-id_27525168	415.483	DXBKLEKWQBXNAL-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-122344
s1c2c(CCCCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)Nc1c(cccc1)C	PC-id_27525178	415.483	UDDTWOWYHADDAX-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-122345
s1c2CCCCCCc2cc1C(=O)NN=Cc1c(c(OC)c(OC)cc1)C(=O)[O-]	PC-id_84889957	415.483	MTURASKZMVOAEG-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-122346
Fc1ccccc1CN1CCc2nnc(CNS(=O)(=O)c3ccccc3)n2CC1	EMOLS-id_232737987,PC-id_29254761,MCULE-1262374747,ZINC22_20994037	415.484	PXQKRCFNCLNPLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122347
s1c2CCCCCCc2nc1NC(=O)C1=NN(C(C1)C(=O)N)c1ccc(F)cc1	PC-id_56021338	415.484	AJPXKPISYHIRNK-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-122348
s1c(Cc2ccc(F)cc2)c(nc1NC(=O)Cn1nc2n(CCCCC2)c1=O)C	PC-id_55895569	415.484	NDIYDNFGUFQJOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122349
s1c(Cc2c(F)cccc2)c(nc1NC(=O)Cn1nc2n(CCCCC2)c1=O)C	PC-id_55895303	415.484	ILTFXFRBUZRFFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122350
s1cc(nc1C)CN(C(=O)Cn1nc2n(CCCCC2)c1=O)c1ccc(F)cc1	PC-id_55785032	415.484	JBAFBINRAUDWKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122351
CCC(C)C(=O)NCc1nnc2CCN(CCn12)C(=O)c1c(OC)cccc1OC	PC-id_45220300,MCULE-6641493482,EMOLS-id_20615747	415.486	UKWADDRNEGJICO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122352
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(C(=O)c1c(OC)cccc1OC)CC2	ZINC22_14959188	415.486	UKWADDRNEGJICO-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122353
CC[C@H](C)C(=O)NCc1nnc2n1CCN(C(=O)c1c(OC)cccc1OC)CC2	ZINC22_14959192	415.486	UKWADDRNEGJICO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122354
COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)c(O)c1	EMOLS-id_20528679,PC-id_45200004,MCULE-4196660969	415.486	HTVNDZXYYVPROS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122355
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1c(OCC)cccc1	PC-id_24554107	415.506	SIVHWWFWQSQVET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122413
COc1ccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(O)c1	CoCoCo_1312740,PC-id_29209660,ZINC22_20906756,CoCoCo_1312742	415.486	HTVNDZXYYVPROS-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122356
COc1ccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c(O)c1	CoCoCo_1312741,ZINC22_20906758,CoCoCo_1312739,PC-id_29209662	415.486	HTVNDZXYYVPROS-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122357
COc1cc(CN2CCc3nnc(CNC(=O)C4CCOC4)n3CC2)cc(OC)c1	ChEMBL-DNDi_CHEMBL16975331,PC-id_45179036,MCULE-3955823681,EMOLS-id_20437147	415.486	PXMFGDRZQYNPGL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122358
COc1cc(CN2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)cc(OC)c1	CoCoCo_1182560,ZINC22_19838709,CoCoCo_1182562	415.486	PXMFGDRZQYNPGL-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122359
COc1cc(CN2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)cc(OC)c1	ZINC22_19838712,CoCoCo_1182561,CoCoCo_1182559	415.486	PXMFGDRZQYNPGL-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122360
COCCNC(=O)c1c[nH]nc1C1CCCN(C1)C(=O)c1noc2c1CCCCC2	EMOLS-id_316157721,MCULE-8351868079	415.486	NQPQOBIBXUBIPB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-122361
COCC/N=C(/O)c1c[nH]nc1[C@H]1CCCN(C(=O)c2noc3c2CCCCC3)C1	ZINC22_328605439	415.486	NQPQOBIBXUBIPB-AWEZNQCLSA-N	00000000100010000101100000000010000000000000000000000000	31-01-122362
COCC/N=C(/O)c1c[nH]nc1[C@@H]1CCCN(C(=O)c2noc3c2CCCCC3)C1	ZINC22_328605440	415.486	NQPQOBIBXUBIPB-CQSZACIVSA-N	00000000100010000101100000000010000000000000000000000000	31-01-122363
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(C(=O)NCCCOCC)ccc1	PC-id_55801651	415.486	WBFOYYOLTFADMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122364
O=c1n2CCCCCc2nn1CC(=O)N(CCC)CC(=O)Nc1c(OC)cccc1	PC-id_55583580	415.486	GNAMCTSITYBIJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122365
s1c2c(CCCCC2)c(c1NC(=O)c1sc2c(c1)cc([N+](=O)[O-])cc2)C(=O)N	PC-id_5061659	415.486	YKLNIKPQWDLGDG-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-122366
S1(=O)(=O)N(CC(=O)Nc2sc3CCCCCc3c2C#N)C(=O)c2c1cccc2	PC-id_38905701	415.486	VTSURDDBKKHUMW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-122367
C1(c2ccccc2)(CC1)C(=O)N1CCn2c(CC1)nnc2CNC(=O)c1ccccc1	PC-id_42210166,EMOLS-id_20388096,MCULE-7741958256,CoCoCo_1115881,ZINC22_11838663	415.488	WCYYAWRUADBVAG-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-122368
C1CN(CCn2c1ncc2C(=O)NCCOc1ccccc1)Cc1cccc(c1)C#N	PC-id_134806202	415.488	GIVHTUNZZRJUIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122369
C1CN(CCn2c1ncc2C(=O)NCCOc1ccccc1)Cc1ccc(cc1)C#N	PC-id_134808927	415.488	NKKWUHQJRQHEFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122370
O=C(c1ccc(cc1)N1CCCC1=O)N1CCn2c(CC1)nnc2Cc1ccccc1	ChEMBL-DNDi_CHEMBL31198149	415.488	YDOPYUCMBOANFM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-122371
COCCn1nc2CCC(CC(=O)N3CCN(CC3)c3ncccn3)CCn2c1=O	MCULE-5857357182,EMOLS-id_207877394	415.489	AKGKZDUAIPFGSN-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-122372
O=C(N1CCC(CC1)CNC(=O)c1cn(nc1)C)Cn1nc2n(CCCCC2)c1=O	PC-id_56436559	415.489	XMMSTGALCBGPGH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-122373
O=C(NCCc1nnc2n1CCCCC2)c1ccc(Cn2nnc3ccccc23)cc1	MCULE-3897850306,EMOLS-id_13535132,ZINC22_14198406,PC-id_17468780,CoCoCo_4473002	415.491	IMRYNWUEVOUQIX-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-122374
O=C(NCCc1nnc2n1CCCCC2)c1cnc2c(cnn2Cc2ccccc2)c1	PC-id_24230528,MCULE-8044602071,CoCoCo_4663523,EMOLS-id_17154639,ZINC22_12822120	415.491	QXNMHGRHHDHWFJ-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-122375
s1c2CCCCCc2c(c1NC(=O)CSc1oc(nn1)Cn1ncnc1)C#N	PC-id_78804703	415.493	CLIAKYAYNIAQRR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122376
Cn1c(CN2CCC(CC2)c2ccc(cc2)C(F)(F)F)n/c/2=C/CCC/C=CC=c/12	PC-id_143552635	415.494	YJYQAGHKYPLVQT-PKHARHHVSA-N	00000000100010110111100000000010000000000000000000000000	31-01-122377
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(C1)CC(F)(F)F	PC-id_111915113	415.499	XMLIJLDGMRFZRU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-122378
CN=C(N1CCN(CC1)C(C(F)(F)F)C)NCCCc1nnc2n1CCCCC2	PC-id_109376523	415.499	OVBYLJYQDRSSRX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-122379
Fc1ccc(cc1)OC1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)O	PC-id_22737952,SCHEMBL6770802	415.501	SNKADCGPLKSYBR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-122380
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)OC	PC-id_2931983,MCULE-7976155676	415.503	NDDBHCIMTBCSLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122381
COc1cc(/C=CC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)ccc1OC	CoCoCo_900665	415.503	NDDBHCIMTBCSLY-BENRWUELSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122382
COc1cc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)ccc1OC	PC-id_1221066,EMOLS-id_25950376,STOCK3S-70761,SPECS-id_AK-968/12116076,ChemDIVC322-0009,CoCoCo_900664,TIMTEC327674,ZINC22_996307	415.503	NDDBHCIMTBCSLY-ZRDIBKRKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122383
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)OC(C)C	PC-id_7351949	415.503	UJKYQENKLUXYGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122384
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)OCCC	PC-id_7351965	415.503	PIODNBAYJIUYFO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122385
s1c2CCCCCc2cc1C(=O)OCC(=O)N(Cc1cc2OCOc2cc1)CC	PC-id_9402841	415.503	VLMYUHAABZBZQJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-122386
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(Cc1ccccc1)C(=O)OC	PC-id_85001917	415.503	MQWKRCDIUAICBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122387
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c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3cc(OC)ccc3OC)CCn12	EMOLS-id_20578065,PC-id_45211423,MCULE-6676382364	415.529	HRNROHOAVQXMRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122464
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3cc(OC)cc(OC)c3)CCn12	ChEMBL-DNDi_CHEMBL44900264,MCULE-9041350927,PC-id_45211257,EMOLS-id_20577311	415.529	VSEIIJFCABZBSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122465
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccccc3OC)CCn12	EMOLS-id_20392500,ChEMBL-DNDi_CHEMBL10625435,MCULE-8600564021,PC-id_45168688	415.529	ZQZIHHGEYMPDHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122466
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(cc3)OC)CCn12	EMOLS-id_20400220,PC-id_45170474,MCULE-7303429313,ChEMBL-DNDi_CHEMBL11654134	415.529	VBFARSRRFPKORQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122467
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3c(cccc3OC)OC)CCn12	MCULE-6973408949,PC-id_45192126,EMOLS-id_20493953	415.529	OYABREOZZOYDOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122468
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(cc3OC)OC)CCn12	PC-id_45215568,EMOLS-id_20595931,MCULE-7017105460	415.529	RKEPPBWJXMIKES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122469
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3cccc(OCC)c3O)CCn12	EMOLS-id_20511129,MCULE-8870109854,PC-id_45196032,ChEMBL-DNDi_CHEMBL30086325	415.529	VSDUJVNTOUBEJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122470
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(c(OCC)c3)O)CCn12	PC-id_45200696,MCULE-6313173312,ChEMBL-DNDi_CHEMBL34368711,EMOLS-id_20531607	415.529	LYXSJNIWOLJDMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122471
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(c(C)c3OC)OC)CCn12	PC-id_45204188,EMOLS-id_20546893,MCULE-7280023223	415.529	UJRKOXRSRJGQKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122472
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(OC)cc1OC)CC2)C(C)C	CoCoCo_1412097,ZINC22_15003462,CoCoCo_1412096	415.529	RKEPPBWJXMIKES-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122473
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(OC)cc1OC)CC2)C(C)C	CoCoCo_1412099,ZINC22_15003460,CoCoCo_1412098	415.529	RKEPPBWJXMIKES-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122474
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1c(OC)cccc1OC)CC2)C(C)C	CoCoCo_1262537,CoCoCo_1262538,ZINC22_12037315	415.529	OYABREOZZOYDOQ-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122475
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1c(OC)cccc1OC)CC2)C(C)C	ZINC22_12037319,CoCoCo_1262535,CoCoCo_1262536	415.529	OYABREOZZOYDOQ-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122476
CCN(CC)CCNC(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	MCULE-3137569961,EMOLS-id_207876614	415.529	WXILCAMKBVMJJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122477
CCOc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)c1O	CoCoCo_1459174,ZINC22_14968010,CoCoCo_1459175,PC-id_26326779	415.529	XBYCILXGEYLACN-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122478
CCOc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)c1O	ZINC22_14968014,PC-id_26326782,CoCoCo_1459177,CoCoCo_1459176	415.529	XBYCILXGEYLACN-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122479
CCOc1cccc(CN2CCc3nnc([C@H](NC(=O)CC)C(C)C)n3CC2)c1O	CoCoCo_1287253,CoCoCo_1287254,ZINC22_11911066	415.529	VSDUJVNTOUBEJE-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122480
CCOc1cccc(CN2CCc3nnc([C@@H](NC(=O)CC)C(C)C)n3CC2)c1O	CoCoCo_1287256,CoCoCo_1287255,ZINC22_11911065	415.529	VSDUJVNTOUBEJE-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122481
CCOc1cc(CN2CCc3nnc([C@H](NC(=O)CC)C(C)C)n3CC2)ccc1O	CoCoCo_1316791,ZINC22_12131459,CoCoCo_1316792	415.529	LYXSJNIWOLJDMQ-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122482
CCOc1cc(CN2CCc3nnc([C@@H](NC(=O)CC)C(C)C)n3CC2)ccc1O	CoCoCo_1316794,CoCoCo_1316793,ZINC22_12131453	415.529	LYXSJNIWOLJDMQ-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122483
COc1c(cccc1OC)CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)C)CC(C)C	CoCoCo_1391856,CoCoCo_1391855,PC-id_26349541	415.529	DJKLMQNTSNSXCW-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122484
COc1c(cccc1OC)CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)C)CC(C)C	CoCoCo_1391857,PC-id_26349544,CoCoCo_1391858	415.529	DJKLMQNTSNSXCW-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122485
COc1ccc(cc1OC)CN1CCn2c(CC1)nnc2[C@H](NC(=O)C)CC(C)C	CoCoCo_1158624,CoCoCo_1158625,PC-id_42439681	415.529	CLRPDGOCROEEPZ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122486
COc1ccc(cc1OC)CN1CCn2c(CC1)nnc2[C@@H](NC(=O)C)CC(C)C	PC-id_42439685,CoCoCo_1158627,CoCoCo_1158626	415.529	CLRPDGOCROEEPZ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122487
COc1ccc(cc1OC)CN1CCn2c(CC1)nnc2C(NC(=O)C)CC(C)C	ChEMBL-DNDi_CHEMBL14377302,PC-id_45175014	415.529	CLRPDGOCROEEPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122488
COc1cccc(c2nc(C(=O)Nc3nc4c(s3)CCCCC4)cs2)c1OC	PC-id_36816080,EMOLS-id_30002186,CoCoCo_4697231,MCULE-1442673538,ZINC22_29609671	415.529	VWMXUNSDQACIHK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122489
COc1ccc(CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)c(OC)c1C	PC-id_29085137,MCULE-4078712521,CoCoCo_1256294,ChEMBL-DNDi_CHEMBL25850652,ZINC22_20598790,EMOLS-id_20489625,CoCoCo_1256295	415.529	SNOFHOSOJLYRDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122490
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c(OC)c1C	CoCoCo_1338985,ZINC22_20993602,PC-id_29254434,CoCoCo_1338984	415.529	UJRKOXRSRJGQKX-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122491
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(OC)c1C	ZINC22_20993599,CoCoCo_1338983,CoCoCo_1338982,PC-id_29254432	415.529	UJRKOXRSRJGQKX-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122492
COc1cccc(OC)c1CN1CCc2nnc([C@@H](CC(C)C)NC(=O)C)n2CC1	CoCoCo_1259510,ZINC22_12034962,CoCoCo_1259511	415.529	USQJKULFZGZJFQ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122493
COc1cccc(OC)c1CN1CCc2nnc([C@H](CC(C)C)NC(=O)C)n2CC1	ZINC22_12034964,CoCoCo_1259512,CoCoCo_1259513	415.529	USQJKULFZGZJFQ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122494
COc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)cc(OC)c1	CoCoCo_1384430,ZINC22_14992228,CoCoCo_1384429,PC-id_26347239	415.529	VSEIIJFCABZBSB-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122495
COc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)cc(OC)c1	ZINC22_14992230,PC-id_26347243,CoCoCo_1384431,CoCoCo_1384432	415.529	VSEIIJFCABZBSB-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122496
COc1ccc(OC)c(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)c1	CoCoCo_1385508,PC-id_26347642,ZINC22_14992549,CoCoCo_1385509	415.529	HRNROHOAVQXMRG-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122497
COc1ccc(OC)c(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)c1	CoCoCo_1385511,CoCoCo_1385510,PC-id_26347646,ZINC22_14992551	415.529	HRNROHOAVQXMRG-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-122498
COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1OCc1cscn1	PC-id_25638165,EMOLS-id_44079354,MCULE-1293502271,ZINC22_12972632,CoCoCo_4758692	415.529	BYGNNXIGRVEOBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122499
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1OC)CC2	CoCoCo_1121816,ZINC22_11880157,PC-id_42245924,CoCoCo_1121815	415.529	ZQZIHHGEYMPDHS-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122500
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1OC)CC2	ZINC22_11880158,CoCoCo_1121813,CoCoCo_1121814,PC-id_42245926	415.529	ZQZIHHGEYMPDHS-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122501
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(OC)cc1)CC2	CoCoCo_1132118,PC-id_42319309,CoCoCo_1132119,ZINC22_11965902	415.529	VBFARSRRFPKORQ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122502
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(OC)cc1)CC2	CoCoCo_1132121,CoCoCo_1132120,PC-id_42319306,ZINC22_11965900	415.529	VBFARSRRFPKORQ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-122503
O(c1c(CN2CCn3c(nnc3CC2)C(NC(=O)C)CC(C)C)cccc1OC)C	PC-id_45212380	415.529	DJKLMQNTSNSXCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122504
s1c2c(CCCCC2)c(c1NC(=O)C(Oc1ccccc1)CC)C(=O)OCCC	PC-id_4196906	415.546	MWZSIPJYNPDRTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122543
O(c1c(CN2CCn3c(nnc3CC2)C(NC(=O)CC)C(C)C)cccc1OC)C	PC-id_56852846	415.529	YUAIHPMLCVMKCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122505
O=c1n2CCCCCc2nn1CC(=O)NCc1c(OCCN(CC)CC)cccc1	PC-id_55715583	415.529	UEWTVBDZKRXXMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122506
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1nc(oc1C)c1sccc1	PC-id_24627450	415.529	DOXLBODKPVPWQD-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-122507
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1nc(sc1)c1oc(cc1)C	PC-id_46576070	415.529	YMTOXTFCIXKZFL-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-122508
s1c2CCCCCc2cc1C(=O)NNC(=O)COCc1sc2c(n1)cccc2	PC-id_24554096	415.529	DSMBBVPSNIATAC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122509
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(ccc2c1N)C)C(=O)OC	PC-id_23886115	415.529	ABMUANLNBFUVAP-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-122510
s1c2c(CCCCC2)c(c1NC(=O)c1sc(nc1C)c1oc(cc1)C)C(=O)N	PC-id_55667103	415.529	HRDIVNHPAAFPAI-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-122511
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)/C=C/c1nc(sc1)C)C)C#N	PC-id_55488195	415.529	NUTHYUCTNUFYMA-CMDGGOBGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122512
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=Cc1nc(sc1)C)C)C#N	PC-id_76239697	415.529	NUTHYUCTNUFYMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122513
s1c2c(CCCCC2)c(c1NC(=O)CSc1[nH]c2c(n1)cccc2)C(=O)OC	PC-id_3998018	415.529	AQIDQWGLDOZQHC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122514
s1c2CCCCCCc2cc1C(=O)NNC(=O)CSc1oc2c(n1)cccc2	PC-id_9441593	415.529	OUUGMLUNLTYQET-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122515
C1CC1CN1CCNc2c(C1=O)n(c(n2)CNCc1ccccc1)Cc1ccccc1	PC-id_134806599	415.531	XSXTXLOTUQULKG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-122516
C1CC1CNCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1	PC-id_134805281	415.531	RCJWJZNNEQSHBM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-122517
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12	PC-id_45195975,ChEMBL-DNDi_CHEMBL30033363,EMOLS-id_20510885,MCULE-5588640094	415.531	YHOONRXVGGIWAB-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-122518
C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	CoCoCo_1286868,CoCoCo_1286869,ZINC22_11910977,PC-id_42275251	415.531	YHOONRXVGGIWAB-GOSISDBHSA-N	00100000100000110101100000000010000000000000000000000000	31-01-122519
C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	ZINC22_11910978,PC-id_42275253,CoCoCo_1286871,CoCoCo_1286870	415.531	YHOONRXVGGIWAB-SFHVURJKSA-N	00100000100000110101100000000010000000000000000000000000	31-01-122520
Cc1nc(C(=O)N2CCc3nc(C(=O)NCc4cccs4)n(C)c3CC2)cs1	ZINC22_1565556153,EMOLS-id_313766351	415.532	OPBVTMNSMAVPJM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-122521
CC(C)c1noc(CCCC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)n1	MCULE-9784380669,PC-id_47035819,ZINC22_46788024,EMOLS-id_31957931	415.532	NCNOTZKYJIPHJJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-122522
COc1ccc(c2csc(NC(=O)CSc3nnc4n3CCCCC4)n2)cc1	ZINC22_6097265,PC-id_7876773,MCULE-9372141441,CoCoCo_3081519,EMOLS-id_2885518	415.532	DFSXQSLUANZBBQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122523
s1c2CCCCCc2nc1NC(=O)CNC(=O)N1CCN(CC1)c1[nH+]cccc1	PC-id_52322222	415.532	KRYJZPYSFHSUJQ-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-122524
S(c1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)c1scc(n1)C	PC-id_55919535	415.532	RKUMHJUSLLCQHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122525
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCc2n(C1)nc(n2)COC	PC-id_109733257	415.536	ICOYBLMGAJRQOS-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-122526
COCc1nc2n(n1)CC(CC2)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109731387	415.536	ADDUAMSKQFMJSP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-122527
CC(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	PC-id_138671109	415.541	JZFCVLOUYCGOPW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-122528
CC(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(C)(F)F)sc3CC2)CC1	SCHEMBL21041477,BindingDB-id_989537	415.541	JZFCVLOUYCGOPW-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-122529
O=C(c1ccc(cc1)CC1(F)CCCCCc2c1nnn2C(C)(C)C)OC(C)(C)C	PC-id_118284558,SCHEMBL16980279	415.544	AABJEWKHPYQHMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122530
c1(NC(=O)c2ccc(cc2)OCCCC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2097175133,PC-id_5192474,CoCoCo_1738310,ZINC22_5615092,EMOLS-id_15925559	415.546	XUSKSWBYKXHRKS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122531
c1(NC(=O)CCc2ccc(OC)cc2)sc2c(CCCCC2)c1C(=O)OCCC	EMOLS-id_4096817,PC-id_4426876,ZINC22_2742311,MCULE-9961061362,CoCoCo_1740130,TIMTEC239900	415.546	JJOFPKHSSLDTKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122532
c1(NC(=O)CCc2ccc(OC)cc2)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-3365634460,TIMTEC86102,EMOLS-id_1095728,CoCoCo_5817923,SPECS-id_AK-968/12162112,ZINC22_4627672,PC-id_4169658	415.546	BTOJQCZXDLGJAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122533
c1(NC(=O)C(C)Oc2ccc(cc2)CCC)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_1363137,BAS-02052766,CHEMBL1358766,PC-id_3136966,MCULE-7156114945,TIMTEC368529	415.546	OWWPNUGUKSIVDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122534
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-5415695734,PC-id_5069868,EMOLS-id_4096831,TIMTEC368393,ZINC22_2789254,CoCoCo_5807457	415.546	OWSYMRVBEBBYJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122535
CCCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)cc1	ZINC22_3671199,CoCoCo_228693,PC-id_7046676	415.546	OWWPNUGUKSIVDT-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122536
CCCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)cc1	ZINC22_3671200,CoCoCo_228692,PC-id_7046677	415.546	OWWPNUGUKSIVDT-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122537
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(n(CC2OCCC2)c(c1)C)C	PC-id_16509403	415.546	QRRWVVSVKULZHS-UHFFFAOYSA-N	00000010110000000100000000000010000000000000000000000000	31-01-122538
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s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)C)C#N	PC-id_20125239	415.575	VQLYOQOLDZSGCE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-122619
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(C)C)CC=C)C#N	PC-id_17297898	415.575	QMTCNCGGLUOCMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122620
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)CC)CC=C)C#N	PC-id_19716580	415.575	OODWBZQNVBXHGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122621
S(c1n(C2CC2)c(nn1)C(C)C)CC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_46676407	415.575	JARBRXMGHJZDTR-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-122622
S(c1n(c(nn1)C1CC1)CCC)CC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_19727027	415.575	UUAZRSBXKCEMFB-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-122623
S(c1n(c(nn1)C1CC1)C(C)C)CC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_19727151	415.575	JIEOBBAUUQEHOD-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-122624
S(c1n(c(nn1)C1CC1)CC)CC(=O)Nc1sc2CCCCCCc2c1C#N	PC-id_19726802	415.575	JDYDQSFQDXFKIF-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-122625
S1CC(OCCOCc2[nH]nc(n2)COCCOCC1)CCCCCCCC	PC-id_13905970	415.59	BMQMNWYSIMQBGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122626
N#Cc1c(NC(=O)CN2CCC(CC2)OC2CCCCC2)sc2c1CCCCC2	PC-id_86874015	415.592	QPRQLNLFFWBYTJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-122627
Cc1scc(n1)CSc1ccccc1C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112808611	415.595	VFASGRBTVJYCOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122628
N#Cc1c(NC(=O)CN2CCN(CC2)C2CCCN(C2)C)sc2c1CCCCC2	PC-id_86959444	415.595	ORICVCSPXXCRSE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-122629
s1c2CCCCCc2cc1C(=O)Nc1sc(SCc2ccc(cc2)C)nn1	PC-id_7921713	415.595	JLFMZXAYMMMOGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122630
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1cccs1)N1CCCC1	PC-id_111012569	415.599	ASFPFRGHILNYKD-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-122631
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(CC1)c1cccs1	PC-id_109655823	415.599	MCFVAULUKXDRQM-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-122632
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1cccs1	PC-id_109720405	415.599	NIBXSBGOCDVGNC-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-122633
CN=C(NC1CCN(CC1)c1cccs1)NCCCc1nnc2n1CCCCC2	PC-id_109654089	415.599	WTRWYGJLPRXPBX-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-122634
CN=C(N(Cc1nc2c(s1)CCCC2)C)NCCCc1nnc2n1CCCCC2	PC-id_112075516	415.599	YXOZPIUROAKJDR-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-122635
CN=C(NCc1nnc2n1CCCCC2)NCC1CCCN(C1c1cccs1)C	PC-id_111666060	415.599	NDMWFHHAJWFTED-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-122636
CN=C(NCC(c1cccs1)N1CCCC1)NCCc1nnc2n1CCCCC2	PC-id_111012803	415.599	LAEFWDJUWZRHKB-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-122637
s1c2CCCN(CCCCN3CCN(CC3)c3ncccn3)C(=S)c2cc1C	PC-id_54193767	415.618	PKIBDHGNSULIIO-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-122638
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CCCCC1)N1CCCCC1	PC-id_111292529	415.619	NSDQUKSGZDRTIE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-122639
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)CN1CCCCC1	PC-id_112083011	415.619	IFSQIDMCLXUYSW-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-122640
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(C1)CC1CCCC1	PC-id_112082045	415.619	ZJHAFYCZZQAQCY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-122641
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)C1CCCC1	PC-id_112076842	415.619	RPOSXABKXOMLHH-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-122642
CN=C(N1CCN(CC1)C1CCC(CC1)C(C)C)NCc1nnc2n1CCCCC2	PC-id_109562910	415.619	AEHFDTDEHRWJNJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-122643
CN=C(NC1CCCN(C1)C1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_112080475	415.619	NJICPPOCVFQFKK-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-122644
CN=C(NC1CCN(CC1)C1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_112083141	415.619	LKXFUBDDHJOMDP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-122645
CN=C(NCC1(CCCCC1)N1CCCCC1)NCCc1nnc2n1CCCCC2	PC-id_111292315	415.619	ZLDWKUAUZRIZGG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-122646
S1CCOCCOCCOCCOCCSc2sc(=[S+]C)sc12	PC-id_10816783	415.655	NJJOJGHUNMCJLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122647
C[C@@H](C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)Cl)F)C)O	PC-id_140762595	415.867	VWVQWFAFLUPBDF-CUVJYRNJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122648
C[C@@H]([C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)Cl)F)C)O	SCHEMBL18352848	415.867	VWVQWFAFLUPBDF-LKFCYVNXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122649
Clc1cc(OCc2onc(C(=O)N(Cc3n[nH]c4c3CCCCC4)C)c2)cnc1	CoCoCo_1577919,PC-id_42197389,CoCoCo_1577920	415.873	AHDZNFXVMPGAHO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122650
CN1c2cc(Cl)sc2CC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O	BindingDB-id_704178,BindingDB_PC-id_130313883,SCHEMBL19224387	415.893	ATGBHPVLZXVXIC-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122651
CN1c2cc(Cl)sc2CC[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O	BindingDB-id_704179,BindingDB_PC-id_130313884,SCHEMBL19224388	415.893	ATGBHPVLZXVXIC-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122652
O=C1C(CCc2c(N1C)cc(s2)Cl)NC(=O)c1noc(c1)Cc1ccccc1	SCHEMBL19207926	415.893	ATGBHPVLZXVXIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122653
Clc1ccc(NC(=O)C[NH+](CC(=O)C(=C2N3CCCCCC3=NN2)C#N)C)cc1	PC-id_84843371	415.897	AJTBJEPKQOSHBL-UHFFFAOYSA-O	00000011000000110111000000000010000000000000000000000000	31-01-122654
Clc1ccc(NC(=O)C[NH+](CC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)C)cc1	PC-id_8815974	415.897	AJTBJEPKQOSHBL-CAPFRKAQSA-O	00000011000000110111000000000010000000000000000000000000	31-01-122655
Clc1c(n2nnc(C(=O)NNC(=O)c3sc4CCCCCc4c3)c2)cccc1	PC-id_56205254	415.897	DUXRRDNYHCGMBZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122656
Clc1c(NC(=O)C[NH+](CC(=O)C(=C2N3CCCCCC3=NN2)C#N)C)cccc1	PC-id_84851077	415.897	FBEVXUKDEWHDJS-UHFFFAOYSA-O	00000011000000110111000000000010000000000000000000000000	31-01-122657
Clc1c(NC(=O)C[NH+](CC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)C)cccc1	PC-id_8843460	415.897	FBEVXUKDEWHDJS-XSFVSMFZSA-O	00000011000000110111000000000010000000000000000000000000	31-01-122658
C[NH+](C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)CC(=O)Nc1ccc(cc1)Cl	PC-id_135573718	415.897	DHQKUPYYMPVBGS-MSUUIHNZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-122659
C[NH+](C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)CC(=O)Nc1ccccc1Cl	PC-id_135718323	415.897	ACFWSWLWSRNYSC-VKAVYKQESA-O	00000000100000110101000000000010000000000000000000000000	31-01-122660
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1Cl)C)C	SCHEMBL19702846	415.913	FACDQFSSCMIWQX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-122661
CCC(c1nnc2n1CCCCC2)NC(=O)C1CN(C(=O)C1)c1cccc(c1)Cl	MCULE-2621441072,PC-id_72147901,EMOLS-id_43372362	415.916	ACZVECDTRDBJPF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-122662
CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1nnc2n1CCCCC2	ZINC22_78733113,PC-id_96494624	415.916	ACZVECDTRDBJPF-PBHICJAKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-122663
CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1nnc2n1CCCCC2	ZINC22_78733119,PC-id_96494626	415.916	ACZVECDTRDBJPF-RHSMWYFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-122664
CC[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1nnc2n1CCCCC2	ZINC22_78733129,PC-id_96494627	415.916	ACZVECDTRDBJPF-YOEHRIQHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-122665
CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1nnc2n1CCCCC2	ZINC22_78733134,PC-id_96494628	415.916	ACZVECDTRDBJPF-WMLDXEAASA-N	00000010100000110101100000000010000000000000000000000000	31-01-122666
Clc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCN2CCCC2)cc1	EMOLS-id_32846304,PC-id_50797926,MCULE-4745571313	415.916	FLCQFOZKVWDGMJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122667
Cl/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)CNC(=O)[C@@H]1COCC1	CoCoCo_1184020,CoCoCo_1184024	415.916	ZBJYPEZDXKXXPZ-BOFQVRIASA-N	00000010100000110101000000000010000000000000000000000000	31-01-122668
Cl/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)CNC(=O)[C@H]1COCC1	CoCoCo_1184026,CoCoCo_1184022	415.916	ZBJYPEZDXKXXPZ-YPOUMIDOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122669
Cl/C(=Cc1ccccc1)/CN1CCc2nnc(CNC(=O)C3CCOC3)n2CC1	EMOLS-id_44851529	415.916	ZBJYPEZDXKXXPZ-PDGQHHTCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122670
n12CCN(CCc1nnc2CNC(=O)C1CCOC1)CC(=Cc1ccccc1)Cl	PC-id_45179271,MCULE-9047118383	415.916	ZBJYPEZDXKXXPZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122671
O=C(NCc1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2)[C@H]1CCOC1	CoCoCo_1184021,ZINC22_19839057,CoCoCo_1184025	415.916	ZBJYPEZDXKXXPZ-KMTKGMGQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122672
O=C(NCc1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2)[C@@H]1CCOC1	ZINC22_19839055,CoCoCo_1184027,CoCoCo_1184023	415.916	ZBJYPEZDXKXXPZ-ZCWPUFOUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122673
Clc1n(nc(c1S(=O)(=O)NN=C([O-])c1sc2CCCCCCc2c1)C)C	PC-id_52257996	415.938	JCUOZNPBUJEOND-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-122674
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)N)c1cccc(c1)Cl	PC-id_89608022,SCHEMBL15002111	415.94	XSYLETUYIWETMI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122675
Clc1c(c2scc(n2)CC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_55483303	415.94	XFLHYZRKUGJMCX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122676
CO/C(=C/C(=CCC(=C)OC)C1=CCCC/C(=CC(=NC)CCl)/n2c1ncc2)/C	PC-id_138599331	415.956	SHSXDEJIRJUVMY-NSMLQJJVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-122677
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(F)cc(OC)cc1)C)C#N	PC-id_84888226	416.466	VFZWBSNYRMQUBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122790
CO/C(=C/C(=CCC(=C)OC)C1=CCCC/C(=CC(=N/C)CCl)/n2c1ncc2)/C	SCHEMBL20960548	415.956	SHSXDEJIRJUVMY-BUSVXCHWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-122678
Clc1cccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c1	ZINC22_19744327,CoCoCo_1161337,CoCoCo_1161336,PC-id_28312397,EMOLS-id_20421911,MCULE-6694675079	415.959	CCWCMUSZXABAJA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122679
Clc1cc(CCC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1C	PC-id_46534052	415.959	BFTIGUDSWVBBAJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122680
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccccc1Cl	PC-id_111177288	415.963	XYJVMZLFCQKHPD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-122681
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1cccc(c1)Cl	PC-id_111186777	415.963	BHSDLZLZPZKRTD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-122682
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)c1cccc(c1)Cl	PC-id_109462770	415.963	HUSBXPVVNJQETR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-122683
Clc1ccc(cc1)N1CCN(CC1)C(=NCCCc1nnc2n1CCCCC2)N	PC-id_111093777	415.963	AWJLVDOEFKWCNC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-122684
CN=C(N1CCN(CC1)c1cc(Cl)ccc1C)NCc1nnc2n1CCCCC2	PC-id_111264223	415.963	MDXQRHGNIOFLIB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-122685
CN=C(NC1CCN(C1)c1cccc(c1)Cl)NCCc1nnc2n1CCCCC2	PC-id_109464048	415.963	MYFYYQGACKHUEJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-122686
Clc1ccc(S(=O)(=O)NCCCCc2c3-c(cc2)ccc(C(C)C)cc3)cc1	PC-id_14752989	415.976	VZDUKQATUJASJL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-122687
CCCCn1c2c(nc1N(c1cnn(c1C)C)C)CC(=CC=C2C(CC)CC)Cl	PC-id_143837405	416.003	FFQYSZBFUJDGOG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-122688
Clc1ccc(cc1)SNCCCCc1cc(c2-c1ccc(cc2)C(C)C)S	PC-id_142463283	416.042	PQPJBPPDJFAZHM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-122689
CC1(COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C(C#C)O	PC-id_154682101	416.095	DCQCBZZKMLAZCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122690
C[C@](C#C)(C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682106	416.095	MLUSNVMLKSDSDD-JMXMNHSUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122691
CC#CC(C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682234	416.095	HHTKIFIVAYUZQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122692
CC(C#C)(C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682310	416.095	MLUSNVMLKSDSDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122693
CC#CCC1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682301	416.095	URKMKTMUNGLIJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122694
CC#CC[C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682137	416.095	URKMKTMUNGLIJT-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122695
CC#CC[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682340	416.095	URKMKTMUNGLIJT-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122696
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=C[C@H](NS2(=O)=O)C(C=C)O	PC-id_154682268	416.095	XFUDQZWNYQJHEJ-VYRBHSGPSA-N	00000000100000110111000000000010000000000000000000000000	31-01-122697
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=C[C@@H](NS2(=O)=O)C(C=C)O	PC-id_154682326	416.095	XFUDQZWNYQJHEJ-AAFJCEBUSA-N	00000000100000110111000000000010000000000000000000000000	31-01-122698
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@H](NS2(=O)=O)C(C#C)O	PC-id_155253497	416.095	FWHSFTFPKOUVRX-AAFJCEBUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122699
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@H](NS2(=O)=O)C(C#C)O	PC-id_155253501	416.095	FWHSFTFPKOUVRX-VYRBHSGPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122700
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@H](NS2(=O)=O)[C@H](C#C)O	PC-id_154682100	416.095	FWHSFTFPKOUVRX-CVEARBPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122701
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@H](NS2(=O)=O)[C@@H](C#C)O	PC-id_154682144	416.095	FWHSFTFPKOUVRX-HZPDHXFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122702
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@H](NS2(=O)=O)[C@@H](C#C)O	PC-id_154682184	416.095	FWHSFTFPKOUVRX-JKSUJKDBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122703
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@H](NS2(=O)=O)[C@H](C#C)O	PC-id_155253529	416.095	FWHSFTFPKOUVRX-HOTGVXAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122704
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CCC(NS2(=O)=O)C(C#C)O	PC-id_154682248	416.095	FWHSFTFPKOUVRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122705
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=CC(NS2(=O)=O)C(C=C)O	PC-id_154682315	416.095	XFUDQZWNYQJHEJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-122706
CC(C)([C@@H]1COC2=C(N(C=C2S(=O)(=O)C1)C)C(=O)NC3=CC(=C(C=C3)F)F)F	PC-id_165164756	416.102	UCACKCJPXKFWQS-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122707
CC([C@H]1C=CC2=C(N(C=C2S(=N)(=O)N1)C)C(NC3=CC(=C(C(=C3)F)F)F)O)O	PC-id_154991289	416.113	KRWQCPIINVINQX-RAVLDDEDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-122708
CCN(C1=NC=C(C=C1)C(=C2CCCC3=C(C2=O)SC(=N3)NC(=O)C)O)C(=O)O	PC-id_87142583,PC-id_154461408	416.115	PDYWOUFVQBHRLC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122709
CC1=C(C2=CC=CC=CC2=C1C(=O)C3=CC=CC=C3)CC(=O)OCC4=C(OC(=O)O4)C	PC-id_154302995	416.126	SAYUCCFJOJNQFM-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-122710
Clc1c(C#Cc2c(Cl)c3-c(c2Cl)ccccc3)c(c2-c1ccccc2)Cl	PC-id_101760882	416.127	DUTMIAPOJRRZTR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-122711
CC1(COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)CCC=C	PC-id_154682069	416.132	VHSQSHHFAKEQDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122712
CC(C=C)(C1CCC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682127	416.132	XZASTDYNUKOWLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122713
CC(CC=C)C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682079	416.132	IHLOXDBPRREXIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122714
CC(C)(C=C)C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682136	416.132	YEBKQWXIWALIHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122715
CC(C)CC1C=CC2=C(N(C=C2S(=N)(=O)N1)C)C(=O)NC3=CC(=NC(=C3)F)C#N	PC-id_154991360	416.143	XMRFTRGPNCZPDW-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-122716
C1CCC2=NN(C(=O)N2[C@@H](C1)C(=O)NC3=C(C=C(C=C3)F)F)CC4=CC(=CC=C4)F	PC-id_164632108	416.146	ZCZAITDIAYMKFI-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122717
CC1=NN2CC[C@@H](C(N(C2=C1)C)O)NC(=O)C3=NN(C=N3)CC4=C(C=CC=N4)Cl	PC-id_146694439	416.148	QMUYUTOKGJWRQW-FVRDMJKUSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122718
CC(C)[C@@H]1CCC2=C(N(C=C2S(=N)(=O)N1)C)C(NC3=CC(=C(C(=C3)F)F)F)O	PC-id_154991347	416.149	YKHKVKGMWKFJEG-HVHLHXQKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122719
CC1=C(C=CC(=C1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)SC(=N3)C)(C)C)F	PC-id_162232848	416.157	WGJPEWOWTHMXJQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-122720
CC1=C(C=CC(=C1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)SN=C3C)(C)C)F	PC-id_160570003	416.157	LNSOKUMHBPAYPL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-122721
CC1=C(C=CC(=C1)C(=O)N2CC(C3=C(C(=NS3)C)C(=C2)C(=O)OC(C)C)(C)C)F	PC-id_160570004	416.157	JEKVJORJGXKEDA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-122722
C1C=CC=NC=CC=C(C=CN=CC2=CC=CN21)OC(=O)N3CC4=C(C3)C(=CC=C4)F	PC-id_153927920	416.165	MPHBFIGAHMSFND-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-122723
C1C=CN=CC=CC=C(C=CN=CC2=CC=CN21)OC(=O)N3CC4=C(C3)C(=CC=C4)F	PC-id_154314326	416.165	YCGGTYWTSNUWIE-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-122724
Brc1c(C(O)c2sc3c(CCCCC3)c2)cc(Br)cc1	PC-id_63426170	416.171	WPODINJVJMUYFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122725
CC1=CC(=CC(=C1)Cl)COC(=O)N2CCCN3C(=CC(=N3)CNC4=NCCN4)C2	PC-id_161551690	416.173	WNFDTODXHOSVCK-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-122726
CN([C@H]1CCC2=NN(C(=O)N2CC1)CC3CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4	PC-id_164638185	416.188	IEKQEXCBNFBBIQ-SFHVURJKSA-N	00100010100000100101000000001010000000000000000000000000	31-01-122727
CCC1=CC=C(S1)CCCO/C2=CNCC3CCCC(C4=C3SC=C4)CNC	PC-id_153267309	416.196	WWKLNOWGGOMDBB-QNGOZBTKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-122728
COC(=O)c1ccc2-c(cc1)c(cc2C(=O)c1ccccc1)I	PC-id_145987375	416.209	OQNSOQGHPNCHGB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-122729
Cc1cc(C(F)(F)F)ccc1CC(=O)N1CCCc2oc(Br)cc2C1	ZINC22_2325825280	416.232	KVYOREMKNQDWNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122730
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC=C(N3C)C	PC-id_155203770	416.242	TWEIAODIADYYDQ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-122731
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=C(N=C(C3)C)C	PC-id_155203687	416.242	OBERMBWKHJRADE-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-122732
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=NC(=C(C3)C)C	PC-id_155203652	416.242	UZRQDPVWADIHLI-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-122733
C1CCCC2=C(CC1)C=C(S2)C(=O)NCC3(CCCC3)CN4CC5CCOC5C4	PC-id_164845026	416.25	MKHAJTSARISVSU-UHFFFAOYSA-N	00000010100000000100000000000110000000000000000000000000	31-01-122734
Ic1c(C(=O)Nc2sc3CCCCCc3n2)ccc(F)c1	PC-id_40411535	416.252	OHRBCVSJFDDNAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122735
Brc1c2sc(CSCCCCCCSC2)c1Br	PC-id_10597975	416.258	YGRVDQPCWKECPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122736
Ic1scc(C(=O)NC(c2n3CCCCCc3nn2)C)c1	PC-id_78950097	416.28	FAXBJWPZEAFGMJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-122737
[B]c1cc2c(cc1)NC(=O)C2=Cc1c(c2c([nH]1)CCCN(C2=O)CCN(CC)CC)C	PC-id_89099148	416.324	OZIDOORGDNKBCG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-122738
Bc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCC1)/C(=O)N2	SCHEMBL13480258	416.324	ZTQGYDUVKITUSN-JXAWBTAJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-122739
O=C1N(CCCc2c1c(C)c([nH]2)/C=C/1C(=O)Nc2c1c(B)ccc2)CCN1CCCC1	SCHEMBL13480216	416.324	AKZLFLFSXNBTSB-PEZBUJJGSA-N	00000010100000100100000000001010000000000000000000000000	31-01-122740
Brc1ccc(cc1)c1ccc(o1)C[NH2+][C@@H](c1nnc2n1CCCCC2)C	GD-id_ZINC43926371	416.335	YNLQHLIUWSWHFQ-CQSZACIVSA-O	00000000101000110101100000000010000000000000000000000000	31-01-122741
Brc1n2c(CN(CCC2)CC)c(n1)C(=O)NC(C(C)(C)C)C(O)NC	PC-id_77966858	416.356	ZHHNWWNTBTYEPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122742
Brc1n2c(CN(CCC2)CC)c(n1)C(=O)N[C@@H](C(C)(C)C)C(O)NC	PC-id_70998598,SCHEMBL13811822	416.356	ZHHNWWNTBTYEPP-AFYYWNPRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122743
O=S(=O)(CCSc1nnc2n1CCCCC2)c1ccc(Br)cc1	CoCoCo_4480275,EMOLS-id_29680077,PC-id_35520626,ZINC22_28218575,MCULE-6894889226	416.356	RAVFNIGXOOKRBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122744
O=C1C(COc2c(N1C)cnn2C)NC(=O)c1ccn(n1)Cc1ccc(c(c1)F)F	PC-id_145408029	416.381	IWCCRXWUOHBRJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122745
O=C1C(COc2c(N1C)cnn2C)NC(=O)c1ncn(c1)Cc1ccc(c(c1)F)F	SCHEMBL19658866	416.381	OTLNCCQIECSOEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122746
O=C1[C@H](COc2c(N1C)cnn2C)NC(=O)c1ccn(n1)Cc1ccc(c(c1)F)F	SCHEMBL18372412	416.381	IWCCRXWUOHBRJL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122747
O=C1[C@H](COc2c(N1C)cnn2C)NC(=O)c1ncn(c1)Cc1ccc(c(c1)F)F	SCHEMBL18372662	416.381	OTLNCCQIECSOEO-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122748
N[C@@H](CC(=O)N1CCn2c(CC1)nc(c2)C(F)(F)F)CCc1ccc(c(c1)F)F	PC-id_142982204	416.388	SLFYXCNCOMTQJZ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122749
COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c(F)c1F	PC-id_22776587,ZINC22_17090541	416.39	DYDBDLTXVCYOFM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122750
C/C=C(C(=C/C(=C)c1nc(c2n1C[C@H](OCC2)C)C(=O)OC)OC)/OC(F)(F)F	PC-id_134550690,SCHEMBL20198406	416.392	OXOFAZLXLCNNFX-FBIMSAQNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122751
Fc1cccc(Cn2nc3CCCCC(C(=O)Nc4ccc(F)cc4F)n3c2=O)c1	MCULE-8265522450,EMOLS-id_207869487	416.396	ZCZAITDIAYMKFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122752
FC(F)(F)C(O)(CCNC(=O)Cn1nc2n(CCCCC2)c1=O)c1n(ccn1)C	PC-id_56214809	416.398	WIYSIMYNSHJJRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122753
C[C@@H](C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)F)C)O	PC-id_140762679	416.4	SUQWWIIBWUQJBV-YMNIQAILSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122754
C[C@@H]([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)F)C)O	SCHEMBL18352790	416.4	SUQWWIIBWUQJBV-GZMMTYOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122755
OCC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)F)C	SCHEMBL18353550	416.4	YFDADFSFZXEEFQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122756
OC[C@H]1NS(=O)(=O)c2c(O[C@H]1C)c(n(c2)C)C(=O)Nc1ccnc(c1)C(F)F	SCHEMBL18353504	416.4	DXKBTPYBHBXNOP-GZMMTYOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122757
COC(=O)c1noc2c1c(=O)cc(cc2O)SCCNC(=O)Oc1ccccc1	PC-id_137172812	416.405	WJHPGANKRRPEOL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-122758
COC(=O)c1noc2c1C(=O)C(=CC(=O)C2)SCCNC(=O)Oc1ccccc1	PC-id_144380153	416.405	LVOMSSFTQSSCQE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-122759
FC(c1cc(C2OC(C(O)C(O)C2O)CO)ccc1F)c1cc2-c(c1)ccccc2	PC-id_77444963	416.415	CMKOQMVDUXXZTJ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-122760
FC(c1cc([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)ccc1F)c1cc2-c(c1)ccccc2	SCHEMBL12439581,PC-id_68264510	416.415	CMKOQMVDUXXZTJ-ZOBQWYLZSA-N	00000010100010110110100000000010000000000000000000000000	31-01-122761
CC(C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C)N	PC-id_140762695	416.418	ALGGJPXAYSXRBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122762
CC([C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C)N	SCHEMBL18353422	416.418	ALGGJPXAYSXRBF-AZMWARKLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122763
Fc1cc(C[NH+]2CCn3c(nnc3CNC(=O)c3cc(F)ccc3)CC2)cc(F)c1	PC-id_42330023	416.42	NEBHKVKMMWSJTF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-122764
c1(cc(on1)COc1ccc(c(F)c1)F)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	ZINC22_12301945,PC-id_42513715,CoCoCo_1478103,MCULE-9013478582,CoCoCo_1478102,EMOLS-id_20639683	416.421	OXPVPFBFGTVNMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122765
O=C(CC(=O)c1oc2c(c1)C(=O)C/C=CC=C/C(C2=O)C)OC(OC(=O)C(C)C)C	SCHEMBL18730832	416.421	CBOQUXRJLCFBFZ-SFECMWDFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-122766
COC(=O)c1c(O)c(c2-c1ccccc2)Cc1c(O)c(c2-c1ccccc2)C(=O)OC	CoCoCo_5717104,NSC652606,PC-id_374631	416.423	FRRBYHRUKQHQRQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-122767
Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_109830318,PC-id_56283819,EMOLS-id_320309233,MCULE-1153936139	416.424	ITZPWHDPUFICSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122768
COC(=O)c1ccc(cc1)C(=O)N1CCC(=O)c2c(C1=O)n(cc2)Cc1ccccc1	PC-id_141227298	416.426	RNKKTGGVSUAJNX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122769
N#CC(=C(c1c(=O)oc2-c1cc(ccc2)C(C)C)C(=C(C#N)C#N)c1ccccc1)C#N	PC-id_102264192	416.431	MXBMJEUNERPYRQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-122770
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)COc1ccc(F)cc1)C)C#N	PC-id_78657074	416.466	BTDVNFLCBHRYRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122791
FC(F)(F)Oc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1	ZINC22_12282090,MCULE-3203409932,EMOLS-id_20562585,CoCoCo_1362188,ChEMBL-DNDi_CHEMBL41285388,PC-id_42501250,CoCoCo_1362187	416.439	ZHVQKCNVRRYWBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122771
Fc1c(C[NH+]2CCn3c(nnc3CNC(=O)c3c(oc(c3)C)C)CC2)cccc1F	PC-id_42236920	416.444	ZCQMYLZPIBWVSL-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-122772
Fc1c(C[NH+]2CCn3c(nnc3CNC(=O)c3c(oc(c3)C)C)CC2)ccc(F)c1	PC-id_42397437	416.444	FXRYVFPSSUFLFQ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-122773
N#Cc1c(NC(=O)CSc2nnc(C(F)(F)F)n2N)sc2c1CCCCC2	ZINC22_9762341,MCULE-4734179041,PC-id_17550466,EMOLS-id_43750549,CoCoCo_2998064	416.444	BYDPTKNDWVIQEH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-122774
O=C(N1Cc2c(C1)cccc2F)O/C/1=C/C=N/C=CC=C/Cn2c(C=N/C=C1)ccc2	PC-id_140664862	416.448	BGNVMBFGMCDXES-DJWLGBMRSA-N	00000010100000100111000000001010000000000000000000000000	31-01-122775
s1c2c(CCCCC2)c(c1NC(=O)c1cc2OCOc2cc1)C(=O)NC(=O)OC	PC-id_40959952	416.448	FASXZLBXPDQNPE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-122776
Cc1c(F)cc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1[N+](=O)[O-]	EMOLS-id_33352880,MCULE-6095555189,PC-id_51117916,ZINC22_58413096	416.449	LJRZQEFCLFJGGK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-122777
CCN(c1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)C)C(=O)O	PC-id_144077560	416.451	QKTZKEDCQSYGCW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122778
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s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1cccnc1)C(=O)OCC	PC-id_23887743	416.491	QEOBGODZZHXQIP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-122862
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1ccc(N)cc1)C(=O)OC	PC-id_23999472	416.491	IQXZOIVALQEBMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122863
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccncc1)C)C(=O)OC	PC-id_23744873	416.491	PLALCONTYMFIAG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-122864
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1ccncc1)C(=O)OCC	PC-id_23971693	416.491	QIXAUHFUTYORAZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-122865
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1cc(N)ccc1)C(=O)OC	PC-id_23999473	416.491	BXMPECOXBQFFEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-122866
s1c2c(N(C(=O)[C@@H](N(C2=O)C(=O)OC(C)(C)C)C)Cc2ccc(OC)cc2)cc1	PC-id_44204275	416.491	MCGJKLXAQBOMHK-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122867
s1c2c(N(C(=O)C(N(C2=O)C(=O)OC(C)(C)C)C)Cc2ccc(OC)cc2)cc1	PC-id_74950729	416.491	MCGJKLXAQBOMHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122868
CC(C)c1ccc2-c(c(cc2CCCC=NNC(=O)Nc2ccccc2)C(=O)[O-])cc1	PC-id_91934745	416.492	ZOFSMRBLVUVSTD-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-122869
Fc1ccc(N2CCN(CC2)CCNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55657807	416.492	INSXMPRJDOHSRL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-122870
O=C(Nc1ccccc1)N/N=CCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	BindingDB_PC-id_91934745	416.492	ZOFSMRBLVUVSTD-YSMPRRRNSA-M	00000010100000110110000000000010000000000000000000000000	31-01-122871
Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC1CCS(=O)(=O)C1	PC-id_53007970,MCULE-6442628598,EMOLS-id_32633194	416.494	QSKWQMVYWSODGF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122872
Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@@H]1CCS(=O)(=O)C1	PC-id_93059142	416.494	QSKWQMVYWSODGF-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122873
Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@H]1CCS(=O)(=O)C1	PC-id_93059143	416.494	QSKWQMVYWSODGF-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122874
Cn1cnc2c1c(=O)n(CCCOC(=O)c1cc3c(s1)CCCCC3)c(=O)n2C	MCULE-7331800016,EMOLS-id_24168131,CoCoCo_2861312,PC-id_25687017,ZINC22_13040203	416.494	OQGWSYAGYCYAKB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122875
COCCC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)NCC	SCHEMBL1770509,PC-id_58256684	416.494	FVZJJAMIFXEKJW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122876
Fc1ccc(c2[nH]ncc2CN2CCn3c(nnc3CCc3ccccc3)CC2)cc1	CoCoCo_1570338,PC-id_29002572,CoCoCo_1570339,CoCoCo_1570341,CoCoCo_1570340	416.494	JAEPAIDBJQQWQZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122877
O1C(CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1c(O)cc(OC)cc1	PC-id_74801639	416.494	HTVNDZXYYVPROS-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-122878
O1[C@@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1c(O)cc(OC)cc1	PC-id_42418928	416.494	HTVNDZXYYVPROS-SFHVURJKSA-O	00000010100000110101000000000010000000000000000000000000	31-01-122879
O1[C@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1c(O)cc(OC)cc1	PC-id_42418935	416.494	HTVNDZXYYVPROS-GOSISDBHSA-O	00000010100000110101000000000010000000000000000000000000	31-01-122880
S1(=O)(=O)CC(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccc(cc2)C)CC1	PC-id_50797888	416.494	RHCDPNOUWJXLGM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-122881
Cc1cnc(c(c1OC)C)Cn1c(c2c(n1)CCC(SC2=NC(=C)N)C(=O)O)N	PC-id_89179327	416.497	VLWXEXVRGQOUCF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122882
COc1c(C)cnc(c1C)Cn1nc2c(c1N)/C(=NC(=C)N)/SC(CC2)C(=O)O	SCHEMBL13823198	416.497	VLWXEXVRGQOUCF-PTGBLXJZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-122883
S(=O)(=O)(N1CCc2n(c(=O)n(Cc3ccccc3)n2)CC1)c1c(C)n(nc1C)C	MCULE-8112456166,EMOLS-id_97099561	416.497	MGIIEGCEQNEHQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122884
O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1cc2c(s1)CCCCC2	ZINC22_7229380,MCULE-7592619787,EMOLS-id_30655219,PC-id_8333500	416.509	YDCZBCLBGWRXKA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-122885
s1c2CCCCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1ccc(F)cc1	PC-id_16509447	416.509	QGGNYOQLRAANRC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-122886
CCCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)[O-])C3)sc2c1CCCCC2	PC-id_27025782,GD-id_ZINC16246895	416.511	INVWZBUELNTXFW-RMHZUWNSSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122887
s1c(NC(=O)C2C3CC(C2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCCC	PC-id_53449890	416.511	INVWZBUELNTXFW-UHFFFAOYSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122888
CCCCCCCC1CC(Cc2cnc([nH]2)CC(CC(C1)CCCCCCC)C)C	PC-id_91154377	416.726	AEIAOAHHLISZOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123175
s1c(NC(=O)C2C3CC(C2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC(C)C	PC-id_73140294	416.511	QNNSRAVTQRKQDP-UHFFFAOYSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122889
s1c(NC(=O)C2C3CC(C2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)OCC	PC-id_74534196	416.511	MMDQSYAXRCIIGA-UHFFFAOYSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122890
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCCC	PC-id_11895310	416.511	INVWZBUELNTXFW-GFOFROLCSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122891
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC(C)C	PC-id_11914883	416.511	QNNSRAVTQRKQDP-GFOFROLCSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122892
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC(C)C	PC-id_11914885	416.511	QNNSRAVTQRKQDP-OQUILHJVSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122893
s1c(NC(=O)[C@@H]2[C@@H]3C[C@H]([C@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCCC	PC-id_1743945	416.511	INVWZBUELNTXFW-NSNWQYSKSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122894
s1c(NC(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC(C)C	PC-id_18556347	416.511	QNNSRAVTQRKQDP-CLROSIBMSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122895
s1c(NC(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC(C)C	PC-id_18556349	416.511	QNNSRAVTQRKQDP-PYTWLRIVSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122896
s1c(NC(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCCC	PC-id_19181229	416.511	INVWZBUELNTXFW-BQGCOEIASA-M	00000011100000000100000000000110000000000000000000000000	31-01-122897
s1c(NC(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCCC	PC-id_20024412	416.511	INVWZBUELNTXFW-CLROSIBMSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122898
s1c(NC(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCCC	PC-id_23306717	416.511	INVWZBUELNTXFW-PYTWLRIVSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122899
s1c(NC(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC(C)C	PC-id_27525341	416.511	QNNSRAVTQRKQDP-IXKJSCDLSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122900
s1c(NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OC(C)C	PC-id_27525343	416.511	QNNSRAVTQRKQDP-RMHZUWNSSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122901
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCCC	PC-id_6567621	416.511	INVWZBUELNTXFW-OQUILHJVSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122902
s1c(NC(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)OCCC	PC-id_7000704	416.511	INVWZBUELNTXFW-IXKJSCDLSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122903
s1c(NC(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)OCC	PC-id_27525353	416.511	MMDQSYAXRCIIGA-IXKJSCDLSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122904
s1c(NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)OCC	PC-id_27525355	416.511	MMDQSYAXRCIIGA-RMHZUWNSSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122905
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)OCC	PC-id_51399766	416.511	MMDQSYAXRCIIGA-GFOFROLCSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122906
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCC2)C(=O)OCC	PC-id_51399768	416.511	MMDQSYAXRCIIGA-OQUILHJVSA-M	00000011100000000100000000000110000000000000000000000000	31-01-122907
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)C(=O)CCCC2	SCHEMBL684098,PC-id_58493570	416.512	ZLUCWYJHJSZICG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122908
CCCCc1nc2c(n1Cc1ccc(c(c1)C(=O)O)c1ccccc1)C(=O)CCCC2	SCHEMBL7446618,PC-id_70094770	416.512	SXEUFFARIWIVTC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-122909
Fc1ccc(cc1)C(=O)N1CCCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825108	416.512	ZIQYROMGPUROQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122910
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(OC)c(OCCC(C)C)cc1	PC-id_55717474	416.514	HMHSJZUPIKNVEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122911
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(CS(=O)(=O)c2ccccc2)o1	PC-id_26158124,ZINC22_14554376,EMOLS-id_30654905,MCULE-1305880534	416.514	JTIAMHBXVZYEKK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-122912
s1c2c(CCCCC2)c(c1NC(=O)Cc1nc(sc1)c1occc1)C(=O)OC	PC-id_52598457	416.514	AHPCGZUSCWFSTI-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-122913
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCC(=O)c1sccc1)C#N	PC-id_3636007	416.514	GVDKVJSPJDTBAX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-122914
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc2c(n1)cccc2)C(=O)OC	PC-id_3265006	416.514	NOJYBJQSEWXCRZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-122915
s1c2CCCCCc2nc1NC(=O)c1occc1CS(=O)(=O)c1ccccc1	PC-id_29859517	416.514	TVJRSSCRCCQOMO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-122916
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)CC)c2)Cc1cccc(C)c1	PC-id_53034594,EMOLS-id_32633262,MCULE-1858212210	416.515	VWTZBOLMIBXUAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122917
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(C)ccc1C)c2)Cc1ccc(cc1)C	CoCoCo_2544549,PC-id_16028392,CHEMBL1519747,EMOLS-id_24406130,MCULE-5152490840	416.515	QSBVRJYWDNSUQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122918
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1C)c2)Cc1ccc(cc1)C	CoCoCo_2544560,PC-id_16028418,MCULE-6753744443,EMOLS-id_24406136	416.515	DSYZSFWEGNLYLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122919
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)C)c2)Cc1ccc(cc1)C	MCULE-7824201963,PC-id_16028363,EMOLS-id_17477166,CoCoCo_2544539	416.515	AOCXUKIAQXXZCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122920
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)C)c2)Cc1cccc(C)c1	PC-id_53034571,EMOLS-id_32633146,MCULE-9326646731	416.515	GEEFAJYXRSSFGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122921
c12C(=O)N(CCCn1nc(C(=O)NCCc1cccc(C)c1)c2)Cc1ccc(cc1)C	PC-id_16028390,MCULE-7712433510,CoCoCo_2544546,EMOLS-id_24406126,CHEMBL1474722	416.515	YSVINAUQYPYHKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122922
c12C(=O)N(CCCn1nc(C(=O)NCCCc1ccccc1)c2)Cc1ccc(cc1)C	MCULE-4407462681,EMOLS-id_24406114,PC-id_46347975,CoCoCo_2544534	416.515	KWLQJQYXQPZSFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122923
c12C(=O)N(CCCn1nc(C(=O)NCC(C)c1ccccc1)c2)Cc1ccc(cc1)C	MCULE-8966829146,CHEMBL1871974,PC-id_16028365,EMOLS-id_24406124	416.515	DGWMSZPIDLEZMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122924
c12C(=O)N(CCCn1nc(C(=O)NCCCc1ccccc1)c2)Cc1cccc(C)c1	EMOLS-id_32633116,PC-id_53034561,MCULE-2029887328	416.515	UNNAQIPIFBTDSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122925
c12C(=O)N(CCCn1nc(C(=O)NCC(C)c1ccccc1)c2)Cc1cccc(C)c1	MCULE-6831475639,EMOLS-id_32633162,PC-id_53034577	416.515	VBNGVVBXGWKJBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122926
c12C(=O)N(CCCn1nc(C(=O)NC(C)CCc1ccccc1)c2)Cc1ccccc1	PC-id_20964710,MCULE-3070689430,EMOLS-id_16324618	416.515	WQEMWYWCLNSEFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122927
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC[C@H](c1ccccc1)C	CoCoCo_2544543,PC-id_92337039	416.515	DGWMSZPIDLEZMX-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122928
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC[C@@H](c1ccccc1)C	PC-id_92337040,CoCoCo_2544544	416.515	DGWMSZPIDLEZMX-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-122929
Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC[C@H](c1ccccc1)C	PC-id_95056131	416.515	VBNGVVBXGWKJBW-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122930
Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC[C@@H](c1ccccc1)C	PC-id_95056132	416.515	VBNGVVBXGWKJBW-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-122931
Cc1ccc(c(c1)C(=O)c1ccccc1C(=O)NCCc1nnc2n1CCCCC2)C	PC-id_93907232	416.515	MXEIMOPPKHCPMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122932
Cc1c(cc(cc1)NC(=O)NC1CCCCC1)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478263	416.515	WYUBZLJCUBYYBF-UHFFFAOYSA-N	00000010100010110110000000000010000000000000000000000000	31-01-122933
CCc1ccc(cc1)CNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C	CoCoCo_2544566,PC-id_46347987,MCULE-8402845821,EMOLS-id_28320211	416.515	DWEXWSJUPQNCCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-122934
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CCn1c(Cc2ccc(cc2)C(=O)N2CCC(C2)N2CCCC2)nc2=CC=CCC=c12	PC-id_143543917	416.558	GKOFTNVMWWAOCT-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-123092
CCn1c(Cc2ccc(cc2)C(=O)N2CC[C@@H](C2)N2CCCC2)nc2=CC=CCC=c12	PC-id_143543904	416.558	GKOFTNVMWWAOCT-QFIPXVFZSA-N	00000010100000110111100000000010000000000000000000000000	31-01-123093
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CCOc1ccc(c2nc(CSc3nnc4n3CCCCC4)cs2)cc1OC	CoCoCo_3082044,MCULE-6620049019,PC-id_8151809,ZINC22_7007573,EMOLS-id_11772137	416.56	LSRPYKWATYHRBS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123097
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Cc1ccc(cc1)CN=C(Nc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111093765	416.562	PFHREKNFDFXIQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123103
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccccc1)c1ccccc1	PC-id_111356942	416.562	CCZZFUYEFPJZSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123104
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CN=C(NCc1nnc2n1CCCCC2)NCCC(c1ccccc1)c1ccccc1	PC-id_111233697	416.562	RPNFQLQJLDFWPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123106
CN=C(NCC(c1ccccc1)c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111356980	416.562	UABVZJXTRHEPJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123107
C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4238831,PC-id_9450971,ZINC22_8325529	416.563	GDLSVYHQWXVJGC-GFCCVEGCSA-N	00000010100000000101100000000010000000000000000000000000	31-01-123108
C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4238832,PC-id_9450970,ZINC22_8325528	416.563	GDLSVYHQWXVJGC-LBPRGKRZSA-N	00000010100000000101100000000010000000000000000000000000	31-01-123109
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s1c2CCCCCc2c(c1NC(=O)CSc1n(nnn1)C1CCCCC1)C#N	PC-id_46639408	416.563	ITFCEESWVFZITD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-123111
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CN=C(N1CCN(CC1)C(C(=O)N1CCCC1)C)NCc1nnc2n1CCCCC2	PC-id_109642879	416.564	JARNVWCFZYWLAE-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-123113
CN=C(N1CCN(CC1)CC(=O)NC1CC1)NCCCc1nnc2n1CCCCC2	PC-id_111379006	416.564	LGYBOHVMYMWSJF-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-123114
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCCCCCCCCC2)c1C#N	PC-id_3288540,TIMTEC423349,SPECS-id_AK-968/15604496,EMOLS-id_4098173,MCULE-9812041955	416.577	RFVZUGDXUBVTKT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-123115
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N#Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	CoCoCo_6815679,ZINC22_4615136,PC-id_1008145	416.577	RFVZUGDXUBVTKT-MSOLQXFVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-123117
N#Cc1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	PC-id_1008143,CoCoCo_6815676,ZINC22_4615139	416.577	RFVZUGDXUBVTKT-QZTJIDSGSA-N	00000000100010000100000000000010000000000000000000000000	31-01-123118
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Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCCCC3)c1	ZINC22_409011475	416.578	FQOPNYLQKFQYOQ-WPWMEQJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123121
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCCCC3)c1	ZINC22_409012475	416.578	IFLLVJMABQXVGX-WPWMEQJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123122
Cc1cccc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCCCC3)c1C	ZINC22_409014540	416.578	MULVHBQFRUNTEH-WPWMEQJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123123
Cc1ccc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCCCC3)cc1C	ZINC22_409011556	416.578	GGTFTYYQNDEBPE-WPWMEQJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123124
CC1CC(C)CNN(C1)SOC1=CC=c2c(=CC1)cc([nH]2)C(=O)N1CCCCC1	PC-id_143170990	416.58	TWIRHCUYFNEYJK-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-123125
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1c(n(nc1C)CC(C)C)C	PC-id_46656924	416.58	NCPMDTPFRJSWTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123126
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(NC(=O)C(C)C)CC1)C#N	PC-id_55739299	416.58	PQHPEAGNIILRSO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-123127
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)CC(C)C)C)C#N	PC-id_24664263	416.58	MUJKGAIAPHBALE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-123128
Cc1ccsc1CN1CCc2nnc([C@@H](C)NC(=O)C3CCN(C)CC3)n2CC1	CoCoCo_1146578,CoCoCo_1146577,ZINC22_11972452,CoCoCo_1146576,CoCoCo_1146579	416.583	SMIBXYOJCLPHKP-MRXNPFEDSA-N	00000000100110000101000000000010000000000000000000000000	31-01-123129
Cc1ccsc1CN1CCc2nnc([C@H](C)NC(=O)C3CCN(C)CC3)n2CC1	CoCoCo_1146580,ZINC22_11972460,CoCoCo_1146582,CoCoCo_1146583,CoCoCo_1146581	416.583	SMIBXYOJCLPHKP-INIZCTEOSA-N	00000000100110000101000000000010000000000000000000000000	31-01-123130
CC(NC(=O)C1CCN(C)CC1)c1nnc2CCN(Cc3sccc3C)CCn12	MCULE-5789426937,EMOLS-id_20411172,PC-id_45173018	416.583	SMIBXYOJCLPHKP-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-123131
c1(NC(=S)Nc2ccc(cc2)CC)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_6800650,ZINC22_6283937,EMOLS-id_4098205,TIMTEC488005,MCULE-8241903674,PC-id_3303081	416.6	UUBGUHZXIVLRCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123132
c1(NC(=S)Nc2ccc(cc2C)C)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-2117937073,TIMTEC300195,PC-id_3303078,CoCoCo_6800647,ZINC22_5948045,EMOLS-id_4098201	416.6	LYOZBUZYQPHKOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123133
c1(NC(=S)Nc2ccccc2CC)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_3303082,ZINC22_6286460,MCULE-8142871029,EMOLS-id_4098199,CoCoCo_6800651,TIMTEC582056	416.6	YVAAEXOBWFIQPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123134
c1(NC(=S)Nc2ccc(c(C)c2)C)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_6800630,TIMTEC315523,EMOLS-id_4098213,PC-id_3301609,MCULE-8873585456,ZINC22_5948037	416.6	MPQASXROOKWKMM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123135
c1(NC(=S)Nc2cc(C)cc(C)c2)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4098203,CoCoCo_6800646,PC-id_3303077,MCULE-3300982228,TIMTEC397505,ZINC22_5948036	416.6	QDEBWEPZSWZRIP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123136
c1(NC(=S)Nc2cccc(CC)c2)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4098207,CoCoCo_6800649,TIMTEC539226,MCULE-5571387265,ZINC22_6284376,PC-id_3303080	416.6	WZJKCZURXAPUER-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123137
c1(NC(=S)NCc2ccc(cc2)C)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_6799975,TIMTEC580844,ZINC22_5979990,EMOLS-id_4098211,PC-id_3277674,MCULE-1703042149	416.6	YTQMGBZGEQTDEQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123138
CCCCCc1nc2n(c1CN(CCC(C)C)CC)C=CC(CC2)/C=C/C(=O)NO	PC-id_143648025	416.6	GLSMCGBGXHEGRA-ACCUITESSA-N	00000000100000000111000000000010000000000000000000000000	31-01-123139
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc(cc1C)C)C)C(=O)OCC	PC-id_20410502	416.6	ZCULQHAKDGWYRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123140
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(CC)cccc1CC)C(=O)OC	PC-id_20410653	416.6	KXEPRCUAOKAFIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123141
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(CC)cccc1C)C(=O)OCC	PC-id_20410589	416.6	MXDWDJQZKGJJIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123142
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1C)C(=O)OC	PC-id_20415678	416.6	UGTMLQSOVAJYDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123143
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(C(C)C)cc1)C(=O)OCC	PC-id_20410848	416.6	DXOVOVMIZBUNHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123144
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1)C(=O)OCC	PC-id_20410924	416.6	SPTDENLVYUQIPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123145
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(CCCC)cc1)C(=O)OC	PC-id_20410964	416.6	OJVNYPXYRHRHNA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123146
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(C(CC)C)cc1)C(=O)OC	PC-id_20411021	416.6	NIFQZMPZKRVEPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123147
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(CCCC)cccc1)C(=O)OC	PC-id_20412836	416.6	ACATXZJKFMUTRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123148
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(C(CC)C)cccc1)C(=O)OC	PC-id_20412923	416.6	UQVGSFCYLGLDDR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123149
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(C(C)(C)C)cccc1)C(=O)OC	PC-id_20412994	416.6	QLCBVNCAEYYJPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123150
s1c2c(CCCCC2)c(c1NC(=S)NC(c1cc(c(cc1)C)C)C)C(=O)OC	PC-id_19675031	416.6	OGZJPMHDZJYALP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123151
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(cc1)CC)C)C(=O)OC	PC-id_19675118	416.6	LZNSDDLLWWAVPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123152
s1c2c(CCCCC2)c(c1NC(=S)NC(c1c(ccc(c1)C)C)C)C(=O)OC	PC-id_19675202	416.6	FHKVWVMSYRWUSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123153
s1c2c(CCCCC2)c(c1NC(=S)NC(c1c(cc(cc1)C)C)C)C(=O)OC	PC-id_19675279	416.6	PVARFBZGCUROCT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123154
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(cc1)C)C)C(=O)OCC	PC-id_19649892	416.6	YPZQZRUEJOCGIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123155
s1c2c(CCCCC2)c(c1NC(=S)NC(CCc1ccccc1)C)C(=O)OC	PC-id_19651873	416.6	DQJXCERYOOHMIU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123156
s1c2c(CCCCC2)c(c1NC(=S)NC(CC)c1ccc(cc1)C)C(=O)OC	PC-id_19675443	416.6	ZOIJAPXHSHHOII-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123157
s1c2c(CCCCC2)c(c1NC(=S)NCCCc1ccccc1)C(=O)OCC	PC-id_19650134	416.6	ROQQAMNWFPXZOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123158
s1c2c(CCCCC2)c(c1NC(=S)NC(CC)c1ccccc1)C(=O)OCC	PC-id_19675365	416.6	HNIAUXBXCVCEMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123159
s1c2c(CCCCC2)c(c1NC(=S)NCCCCc1ccccc1)C(=O)OC	PC-id_19650200	416.6	HVEBAZILOXAJSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123160
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc(cc1C)C)C)C(=O)OC	PC-id_20410495	416.6	MYNHDRKCZKGUDS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123161
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(c(ccc1)C)C)C(=O)OCC	PC-id_20410205	416.6	UBNMJBWYEQKMLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123162
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C)C)C(=O)OCC	PC-id_20410307	416.6	YRRKVJACNOIMFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123163
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cccc1C)C)C(=O)OCC	PC-id_20410420	416.6	ZBPBDKAVHFBIIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123164
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(CC)cccc1C)C(=O)OC	PC-id_20410582	416.6	DNUVYCGZAYJLML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123165
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(C(C)C)cc1)C(=O)OC	PC-id_20410842	416.6	NNJXEVUFVAAHHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123166
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1)C(=O)OC	PC-id_20410917	416.6	LADSYGMETNPKCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123167
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(cc1)C)C)C(=O)OC	PC-id_19649885	416.6	OVKBMQWNWZMFLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123168
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccccc1)C)C(=O)OCC	PC-id_19649798	416.6	LWNAYTBIPIFHGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123169
s1c2c(CCCCCC2)c(c1NC(=S)NCCc1ccccc1)C(=O)OCC	PC-id_19649906	416.6	ZJFJHLVNKWQQCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123170
s1c2c(CCCCCC2)c(c1NC(=S)NCCCc1ccccc1)C(=O)OC	PC-id_19650127	416.6	QBUVMNNGZKFBON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123171
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC)c1ccccc1)C(=O)OC	PC-id_19675358	416.6	ZJJWFVWCKBUDND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123172
CN=C(N1CCC(CC1)OCC1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_112086827	416.603	QPVHQYLVJLSSTN-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-123173
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C1CN(Cc2cc(cn2C1)C(=O)O)C(=O)OCc1cc(cc(c1)Cl)C(F)(F)F	SCHEMBL16103009,PC-id_90463130	416.779	KEBKULMSRMCBBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123178
Clc1cc([N+](=O)[O-])c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)cc1	PC-id_19523635	416.782	XORXLTLTRSPEGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123179
Clc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)cc([N+](=O)[O-])cc1	PC-id_19523685	416.782	XISYRWBYEPKMOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123180
OC(=O)C1CN(Cc2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])Cc2n(C1)ccn2	PC-id_146146652	416.815	KDAIWGRLSRPTGB-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-123181
OC(=O)C1CN(Cc2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])Cc2n(C1)ncc2	PC-id_146146647	416.815	IQKWAHURTQHWHZ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-123182
O=C(O)[C@@H]1CN(Cc2ccc(c3ccc([N+](=O)[O-])cc3Cl)o2)Cc2ccnn2C1	ZINC22_1875324132	416.815	IQKWAHURTQHWHZ-GFCCVEGCSA-N	00000000101000110101100000000010000000000000000000000000	31-01-123183
O=C(O)[C@H]1CN(Cc2ccc(c3ccc([N+](=O)[O-])cc3Cl)o2)Cc2ccnn2C1	ZINC22_1875324133	416.815	IQKWAHURTQHWHZ-LBPRGKRZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-123184
O=C(O)[C@@H]1CN(Cc2ccc(c3ccc([N+](=O)[O-])cc3Cl)o2)Cc2nccn2C1	ZINC22_1875324160	416.815	KDAIWGRLSRPTGB-GFCCVEGCSA-N	00000000101000110101100000000010000000000000000000000000	31-01-123185
O=C(O)[C@H]1CN(Cc2ccc(c3ccc([N+](=O)[O-])cc3Cl)o2)Cc2nccn2C1	ZINC22_1875324161	416.815	KDAIWGRLSRPTGB-LBPRGKRZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-123186
Cc1c(occ1)C(=O)N1CCCn2c(cc(n2)C(=O)Nc2c(cc(cc2)F)Cl)C1	PC-id_137649704	416.833	YTDLPRZOOIEJQJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-123187
c1(c2CCCCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1ccccc1Cl	ChEMBL-DNDi_CHEMBL3261-0852,EMOLS-id_2757268,MCULE-7402962124,SCHEMBL4147839,PC-id_1268403,CoCoCo_1731201,ZINC22_1081681	416.845	DONFYSLXKGBNQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123188
c1(c2CCCCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1)Cl	ChEMBL-DNDi_CHEMBL3261-0889,EMOLS-id_2757224,CoCoCo_1731230,MCULE-9729396963,ZINC22_4150893,PC-id_3657956,SCHEMBL4134799	416.845	PXPSPOLRRLTYEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123189
c1(c2CCCCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1cccc(Cl)c1	CoCoCo_1731141,PC-id_3368574,ChEMBL-DNDi_CHEMBL3261-0713,EMOLS-id_2757266,SCHEMBL4149721,MCULE-6545682852,ZINC22_4150916	416.845	IWADIEZHUMJRFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123190
C1CCc2c(CC1)sc(c2C(=O)Nc1ccc(cc1)F)NC(=O)C(F)(F)Cl	PC-id_137633189	416.845	CAOIJCLOFDIRFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123191
Clc1cc(C(=O)NCCc2n3CCCCCc3nn2)c(OC)cc1n1nnnc1	PC-id_55790743	416.865	NYYRVTWTBYIZEX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123192
Cc1cc(C(=O)N2CCc3nc(C(=O)Nc4ccc(Cl)cc4)sc3CC2)no1	ZINC22_96146903,PC-id_97442427,EMOLS-id_44303774	416.881	WNWYAKZLOKIKSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123193
Clc1cccc(c1)NC(=O)c1nc2c(s1)CCN(CC2)C(=O)c1noc(c1)C	PC-id_97442432	416.881	DFACPGRLAOUUMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123194
BrC1C(OC)c2c([nH]c(Br)c2Br)C(=O)NC1	PC-id_11327516,SCHEMBL7149319	416.892	CNFJOCNOWYMTCO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-123195
Br[C@@H]1[C@@H](OC)c2c([nH]c(Br)c2Br)C(=O)NC1	PC-id_70004610,SCHEMBL7149315	416.892	CNFJOCNOWYMTCO-CLTAVNFZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-123196
Clc1c(C(=O)NC2CC2)cc(NC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_60487759	416.904	SCTJNPHYMVLUAJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-123198
Clc1cc(F)c(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)cc1	PC-id_8482919	416.918	OJNLQRYZSJWSCI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123199
Clc1cc(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc1F	PC-id_8482909	416.918	DLFZEXBMSYSUNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123200
Clc1c(F)c(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc1	PC-id_60532441	416.918	DHEHUKPLERPJPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123201
Clc1c(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc(F)c1	PC-id_60405513	416.918	NLTSNXOTFXVQMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123202
CCOC(=O)c1c(Nc2ccc(cc2Cl)C#C)sc2c1CC(C)(C)CNC2=O	PC-id_87679172,SCHEMBL4503455	416.921	DHVYMQIRFXXZEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123203
Clc1c(CC(=O)OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)cccc1	PC-id_78667904	416.921	OZMZDVGJYNJUGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123204
Clc1c(CC(=O)O[C@H](C(=O)Nc2sc3CCCCCc3c2C#N)C)cccc1	PC-id_8331943	416.921	OZMZDVGJYNJUGD-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123205
Clc1c(CC(=O)O[C@@H](C(=O)Nc2sc3CCCCCc3c2C#N)C)cccc1	PC-id_8331947	416.921	OZMZDVGJYNJUGD-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123206
Clc1ccc(c2oc(CNC(=O)CSc3n4CCCCCc4nn3)cc2)cc1	PC-id_24454088	416.924	VXZOREFBZWCDIX-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-123207
Clc1ccc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)c2ccsc2)cc1	PC-id_56051794	416.924	QOXFYGSDSMSKCQ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-123208
Clc1ccc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)c2sccc2)cc1	PC-id_55750240	416.924	ROLDLZFFOXGFGM-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-123209
Cn1nc(c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc2n1CCCCC2	PC-id_7876604,CoCoCo_3081352,MCULE-3101347033,EMOLS-id_11709891,ZINC22_6096989	416.928	MLUYGVJJLAKPSL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123210
O=C(CSc1nnc2n1CCCCC2)Nc1ccnn1Cc1cccc(Cl)c1	EMOLS-id_30704859,PC-id_47015815,MCULE-2717267948,ZINC22_48313463	416.928	LSJRHCUZTMJXCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123211
c1(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2)c2CCCCCc2on1	CoCoCo_2401414,MCULE-5002064591,EMOLS-id_16234825,CoCoCo_2401413,PC-id_20923864	416.944	KJZXYQQPCGQRKW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123212
Clc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)O	PC-id_10716840,SCHEMBL6773249	416.944	BMNUFPVZQDKUQD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123213
Clc1cccc(c1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)O	PC-id_18388578,SCHEMBL6774748	416.944	MKSIERNAQGCQNM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123214
Clc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)cn(c2)C)O	PC-id_22737943,SCHEMBL6774321	416.944	PACLWIOAHCSSAT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123215
Clc1n(nc(c1S(=O)(=O)NNC(=O)c1sc2CCCCCCc2c1)C)C	PC-id_52257997	416.946	JCUOZNPBUJEOND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123216
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccc(Cl)s1	MCULE-1983439181,EMOLS-id_97042024	416.946	KLXIZZQGPRXGET-UHFFFAOYSA-N	00100000100100000101000000000010000000000000000000000000	31-01-123217
N#Cc1c(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)sc2c1CCCCC2	ZINC22_8395264,CoCoCo_2843783,PC-id_3964660,MCULE-5956647955,CoCoCo_2843784,EMOLS-id_43697863	416.947	CTUYVJRTVIIVPP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-123218
Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)NCc2nnc3n2CCCCC3)C1	ZINC22_588185238	416.948	KGWVRHLXGPBDMS-INIZCTEOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-123219
Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NCc2nnc3n2CCCCC3)C1	ZINC22_588185239	416.948	KGWVRHLXGPBDMS-MRXNPFEDSA-N	00000010100000110101100000000010000000000000000000000000	31-01-123220
Clc1ccc(c(c1)N1CCN(CC1)C(=O)NCCc1nnc2n1CCCCC2)C	PC-id_112818097	416.948	UGVBBXCICSHULP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123221
O=C(NCc1nnc2n1CCCCC2)NCC1CCN(C1)c1cc(Cl)ccc1C	PC-id_138993443,EMOLS-id_320291811,MCULE-4396339830	416.948	KGWVRHLXGPBDMS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-123222
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)c1ncccc1Cl	PC-id_109723383	416.951	MCVGHRFCXHYRBS-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-123223
CN=C(NC1CCN(C1)c1ncccc1Cl)NCCc1nnc2n1CCCCC2	PC-id_109723407	416.951	MPOOYSBWYSEBIC-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-123224
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Cl)C(=O)N1CCCCC1	TIMTEC32387,CoCoCo_81715,MCULE-7284128467,EMOLS-id_1230895,ZINC22_2904327,BAS-00486693,PC-id_2251734	416.964	RAMVVBNCYUXTBS-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-123225
c1(NC(=O)COc2cc(C)c(cc2C(C)C)Cl)sc2c(CCCCC2)c1C#N	MCULE-8754339242,ZINC22_2301999,CoCoCo_5952518,TIMTEC275165,STOCK2S-45691,EMOLS-id_3742940,PC-id_1921099	416.964	KWMMVFHWYRMYND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123226
Clc1cc(c(OCCCC(=O)Nc2sc3CCCCCCc3c2C#N)cc1)C	PC-id_4220119	416.964	UORSEMPEICWCDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123227
Clc1cc(C[NH+]2CCn3c(nnc3CCNC(=O)C3CCCCC3)CC2)ccc1	PC-id_42448931	416.967	CCWCMUSZXABAJA-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-123228
NCC(NC(=O)c1sc2c(c1)/C(=C(/C=N)Cl)/NCCC2)CCc1ccccc1	SCHEMBL19737276	416.967	LRAPYFNSJBZHQO-FWVQSZAISA-N	00000000100000110100000000000010000000000000000000000000	31-01-123229
CCNC(=NCc1nnc2n1CCCCC2)NCC(Cc1cccc(c1)Cl)(C)C	PC-id_109668235	416.991	JKBIOKLUGQIIQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123230
CN=C(NCC(Cc1cccc(c1)Cl)(C)C)NCCc1nnc2n1CCCCC2	PC-id_109668239	416.991	YTSLGIRGEVHPFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123231
Clc1ccc(cc1)N1CCN(CC1)CCC(=O)c1c(C)sc2c1CCCCC2	PC-id_141912645	417.007	IILWTTHMCKSELX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123232
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OC[C@@H](NS2=O)C=C	PC-id_154682202	417.077	BLJSYXRJXUUTOL-DVDGOISUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123233
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OCC(NS2=O)C=C	PC-id_154682213	417.077	BLJSYXRJXUUTOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123234
CN1C2=C(CC[C@H](C1=O)NC(C3=NOC(=C3)CC4=CC=CC=C4)O)SC(=C2)Cl	PC-id_153149812	417.091	WAGGSCMVFUZUIN-MJTSIZKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123235
CC(C)N1CC=CC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_147478867	417.127	FDFNLLZFRVIJFO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-123236
COC1=C(C=C2C(=CC1)C=C(S2)C(CCCC(=O)N(C3=CC=CC=C3)O)F)OC	PC-id_164708074	417.141	VAMNAJGGUAKWGI-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-123237
CC(C)(C)OC(=O)N1CCC2=NN(C(=C2C(C1(F)F)(F)F)F)CC3=CC=CC=C3	PC-id_161642996	417.148	WYRVOPAMVJYEMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123238
Brc1cc(OC2CCN(Cc3c2scc3)C)ccc1Br	PC-id_68409343	417.159	ZWXVYCSOPGIAMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123239
CC(C)[C@H]1C=CC2=C(N(C=C2S(=NC)(=O)N1)C)C(NC3=CC(=C(C=C3)F)C#N)O	PC-id_154991319	417.163	KHKJWYHGKOJQCP-SQXUJCDRSA-N	00000000100000110111000000000010000000000000000000000000	31-01-123240
Cc1nn2CC[C@@H](C(=O)N(c2c1)C)NC(=O)c1nn(cn1)CC1=C(CC(C=C1)F)F	PC-id_163533061	417.172	DUPYNYQFWGYSTH-WUJWULDRSA-N	00000000100011000101000000000010000000000000000000000000	31-01-123241
CN1CN(N=C1C(=O)N[C@H]1CCn2c(ccn2)N(C1=O)C)Cc1cc(c(cc1)F)F	PC-id_163776944	417.172	MLGZHJRXTYAAJY-HNNXBMFYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-123242
CN1CCC(=NO)C2=C(S1)C=CN2CCCN3CCN(CC3)C4=CC=C(C=C4)F	PC-id_154008748	417.2	OOPHNRLOINABPD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123243
[Sn](CCCC)(CCCC)(CCCC)c1cc2-c(c1)ccccc2	PC-id_10971783	417.206	ZEQMYOPMTCDQRM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123244
[Sn](CCCC)(CCCC)(CCCC)c1ccc2-c(cc1)ccc2	PC-id_11750417	417.206	DOWUZMZMFQSUMQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123245
Brc1ccc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nc1	PC-id_19527301	417.224	UXLXGGHGRSPACH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-123246
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=C(OC(=C3)C)C	PC-id_155203740	417.226	YHWGYZRXYBPJIO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-123247
CCN1C=C(C=N1)C(=O)OCCCC2=NN(C3=C2CCCOCCCNC3=O)CC	PC-id_155171341	417.238	MNWZINSPLMADRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123248
Brc1cc(C=C(c2n3CCCCCc3nn2)C#N)cc(OC)c1OCC	PC-id_72084731,EMOLS-id_26092961,MCULE-9492754010	417.3	XTCPQYKVANGMLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123249
Brc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc(OC)c1OCC	PC-id_7481096	417.3	XTCPQYKVANGMLC-NTEUORMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123250
Brc1cc(C=C(c2n3CCCCCc3nn2)C#N)cc(OCC)c1OC	PC-id_78565662	417.3	NJOXWFRCAAYVKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123251
Brc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc(OCC)c1OC	PC-id_7911812	417.3	NJOXWFRCAAYVKC-NTEUORMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123252
CCOc1c(Br)cc(cc1OC)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3456446,CoCoCo_3456447	417.3	XTCPQYKVANGMLC-ZROIWOOFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123253
BrC1=CCc2c(C=C1)nc(s2)Nc1nccc(c1)C(=O)N1CCCC1	PC-id_134422767,SCHEMBL20055947	417.323	MLBPCTAOFNJSFJ-UHFFFAOYSA-N	00000010100000101111000000000010000000000000000000000000	31-01-123254
COc1ccc(cc1Br)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807949	417.341	SYLFLIDPBOPREZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123255
COc1ccc(cc1S(=O)(=O)Nc1nc2c(s1)CCCCC2)Br	PC-id_112807957	417.341	XKCWZEAZFSFQQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123256
CN1CCC(c2c(S1)ccn2CCCN1CCN(CC1)c1ccc(cc1)F)N=O	PC-id_90836900	417.543	ZVYXFPVEPMYHHT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123518
CCCN=C1C(=C)C=C(Nc2c1c(c([nH]2)CC)Br)Sc1cnccc1	PC-id_137138512	417.366	GXUSJMOEPWRKJA-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-123257
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(cc(OC(F)F)cc1)C	PC-id_19523748	417.373	LMLPSYVLXHNGMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123258
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(OC(F)F)cc(cc1)C	PC-id_19523717	417.373	FZLRXFRVYQVIPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123259
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(OC(F)F)ccc(c1)C	PC-id_19523749	417.373	TZYNTEAIUGGITH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123260
FC(F)(F)c1n2CCCN(C(c2nn1)C)C(=O)C[C@H](N)Cc1c(F)ccc(F)c1	PC-id_11373425,SCHEMBL8297594	417.376	HIBWUKOVHWUSTR-JLOHTSLTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123261
FC(F)(F)c1n2CCCN(C(c2nn1)C)C(=O)CC(N)Cc1c(F)ccc(F)c1	PC-id_72821534	417.376	HIBWUKOVHWUSTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123262
NC(Cc1cc(F)c(cc1F)C)CC(=O)N1CCCn2c(C1)nnc2C(F)(F)F	PC-id_143050159	417.376	KJKSVHADAGTXCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123263
CC1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)(F)F)F)C	SCHEMBL21337038,PC-id_139471043	417.378	AMLATFLMOVTUHT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-123264
C[C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)(F)F)F)C	SCHEMBL18352814	417.378	AMLATFLMOVTUHT-VIFPVBQESA-N	00000000100000110111000000000010000000000000000000000000	31-01-123265
Brc1ccc(C2CCN(CC2)CCCc2onc3c2CCCCC3)cc1	PC-id_59939366,SCHEMBL7963786	417.382	YEAFRGXGGYMBEB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123266
Brc1ccc(C2CCN(CC2)CCCc2n3CCCCCc3nn2)cc1	SCHEMBL7959702,PC-id_59939385	417.386	CBPGQBUCCUGGKR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123267
c1(cn2c(C(=O)N(CCC2)C)c1)S(=O)(=O)NCc1ccc(cc1)OC(F)(F)F	MCULE-8896675044,PC-id_53182887,EMOLS-id_33086934	417.403	CHSZZXVOLUNMSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123268
CC([C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C)O	PC-id_139471103,SCHEMBL21337099	417.403	UJQLPKZWSVXGMU-AZMWARKLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123269
C[C@@H]([C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C)O	SCHEMBL18352789	417.403	UJQLPKZWSVXGMU-ISVAXAHUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123270
OCC1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C	PC-id_140762716	417.403	VPBALSVCGPLOQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123271
O=C(c1n(C)cc2c1OC[C@H](NS2(=O)=O)C(F)(C)C)Nc1ccc(c(c1)F)F	SCHEMBL18353469	417.403	VXUBLTVVXJULDT-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123272
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)C(F)(C)C)Nc1ccc(c(c1)F)F	PC-id_140762709	417.403	VXUBLTVVXJULDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123273
OC[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C	SCHEMBL18353543	417.403	VPBALSVCGPLOQF-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123274
COC(=O)c1[nH]c(c2c1OCCOCCOCCOCCOCCO2)C(=O)OC	PC-id_101697508	417.408	MGTDKDXTJPRFPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123275
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCC(=O)N	SCHEMBL6880309,PC-id_54350698	417.413	UFNLSVCLFZUAGL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123276
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOC(=O)NC	SCHEMBL8164264,PC-id_23296717	417.413	XYEGZTNISAULEY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123277
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OC=O)NC	SCHEMBL8164268,PC-id_88258109	417.413	FPFFJAWRCNVPPO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123278
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cc(Cn2nccc2)ccc1	PC-id_19523711	417.427	HIGQPIGGQMIXEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123279
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)Cc2ccc(cc2)C#N)c1	ZINC22_1565556725,EMOLS-id_313765577	417.436	SCZUHGGDKWGEQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123280
O=C(COC(=O)c1cc2c(s1)CCCCC2)NNC(=O)c1ccc(cc1)[N+](=O)[O-]	EMOLS-id_8376620,PC-id_9207944,MCULE-5778218024,CoCoCo_2861350	417.436	KMFIHEUQWQYNDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123281
s1c2c(CCCCC2)c(c1NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)OC	PC-id_7521864	417.436	SXZCEGLRHFXZOP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123282
s1c2c(CCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])ccc1)C(=O)NC(=O)OC	PC-id_7521866	417.436	HKMSMYCERLKKBE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123283
s1c2c(CCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])cccc1)C(=O)NC(=O)OC	PC-id_7521887	417.436	WWBUNTCGSRMRJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123284
Fc1cc(C(=O)N2CCN(CC2)Cc2nnc3n2CCCCC3)c(c(c1)[N+](=O)[O-])N	GD-id_ZINC48317166	417.437	VDSZOTYDERFZDU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123285
CCCCCCC1(COc2c(sc(c2OC1)Br)C)CCCCCC	PC-id_91203907	417.444	LTNWJMJNZSJHPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123286
CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)CC	PC-id_5100245,STOCK1S-77603,SPECS-id_AG-389/14600007,TIMTEC21613,EMOLS-id_4408057,MCULE-9084099282	417.446	ZGAOCDGBNVPUBL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-123287
CCOC(=O)[C@@](NC(=O)CC)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	CoCoCo_6890148,PC-id_7236125,ZINC22_4452539	417.446	ZGAOCDGBNVPUBL-QGZVFWFLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-123288
CCOC(=O)[C@](NC(=O)CC)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	CoCoCo_6890149,ZINC22_4452540,PC-id_7236126	417.446	ZGAOCDGBNVPUBL-KRWDZBQOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-123289
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CN(C(=O)C1)CC(F)(F)F	PC-id_55616610	417.446	DNPXFMVPAJEFRO-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-123290
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3CCc3ccccc3)CC2)cc1	GD-id_ZINC12282090,PC-id_42501249	417.447	ZHVQKCNVRRYWBB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-123291
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OCC)C(=O)c1ccc(F)c(F)c1	PC-id_121358892,SCHEMBL17777966,BindingDB-id_731721	417.449	LDWBBVGFSODELP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-123292
CC(OC(=O)C1=CN(CC(c2c1n(C)nc2C)(C)C)C(=O)c1ccc(c(c1)F)F)C	TT-id_D0WT7M	417.449	YULJJUQFRWLELY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-123293
CCOC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)C(C)C)C(=O)c1ccc(F)c(F)c1	BindingDB-id_731686,PC-id_121358767,SCHEMBL17777833	417.449	BICUWKWLNCZPMV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-123294
Fc1cc(F)cc(c1)N1CC(CC1=O)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_86884581	417.452	HSKCXYXFPIDNFP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-123295
Fc1c(C(=O)N2CCC(CC2)C(=O)NCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_24646612	417.452	DUGXBZQAWSDYLT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123296
OC(=O)[C@H]1[C@@H](CCc2ccc3-c2ccccc3)C(=O)N1C(C(=O)O)Cc1ccccc1	PC-id_140404170	417.454	FBBDYBRAXOKQKG-NHXNGRAPSA-N	00001010100000110110000000000010000000000000000000000000	31-01-123297
CCN(CCCONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O)CC	PC-id_141055256	417.456	UCCPZPGQRFQKNV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123298
ONC(=O)c1ccc(cc1)C#CC1(CCNCC1)NC(=O)c1cc2c(o1)CC=CC=C2	PC-id_143008879	417.457	KXIREUSOXXMYNK-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-123299
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc(c2c(OC)ccc(F)c2)c1	PC-id_55722567	417.457	XXZLALRMRWSJIN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123300
O=c1n2CCCCCc2nn1CC(=O)Nc1c(cc(OC)c(OC)c1)C(=O)N(C)C	PC-id_55624311	417.459	NGOOOHRMSGVERC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123301
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(OCc2cc(ccc2)C#N)ccc1	PC-id_55689163	417.46	XYGDQPBINJYYOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123302
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)Nc1ccccc1)Cc1ccccc1	MCULE-1792525292,EMOLS-id_25388530,PC-id_46049871	417.46	HUMWVDAZNRUTEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123303
O=C(c1ccc(cc1)Cn1c2NCCC=Cc2n(c1=O)C(=O)C)Nc1ccccc1N	PC-id_143247667	417.46	LSRJPAMJVYKYFY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-123304
CC(C)(C)C(NC(=O)c1c2CN(CCCn2c(n1)C(=C)C(F)(F)F)C)OCNC	PC-id_88974636	417.469	YFPVQIBBUQEYAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123305
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C(C(F)(F)F)C	SCHEMBL1174988,PC-id_57635503	417.469	GFOFEBKUVRFYHD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123306
CNC(=O)[C@@H](C(C)(C)C)C1CCN(Cc2n1c(nc2C(=O)N)C(C(F)(F)F)C)C	PC-id_140605940	417.469	ZVUXTXLJAWAWPR-XIVSLSHWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123307
CNCO[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C(=C)C(F)(F)F	SCHEMBL12883595	417.469	YFPVQIBBUQEYAU-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123308
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C(C(F)(F)F)C	SCHEMBL1174985,PC-id_57736851	417.469	GFOFEBKUVRFYHD-SBXXRYSUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123309
c1(NC(=O)COc2ccc3c(OCO3)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-6465297883,EMOLS-id_2569848,PC-id_4019962,CoCoCo_1754960,ZINC22_2495506	417.475	HJUMRLCZDGIMBY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-123310
COC(=O)COc1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)c1	ZINC22_108269908,PC-id_55873201	417.475	VMQRSBLCPINVGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123311
Fc1ccc(c(c1)C(=O)NC(c1nnc2n1CCN(CC2)Cc1cccs1)C)F	ChEMBL-DNDi_CHEMBL12681185,PC-id_45165676	417.475	WHXVKEKTUNAQNQ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-123312
s1c2c(CCCCC2)c(c1NC(=O)COc1c(cc(OC)cc1)C=O)C(=O)OC	PC-id_8633781	417.475	VRLTXYQJTXGMGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123313
s1c2c(CCCCC2)c(c1NC(=O)COc1c(OC)ccc(c1)C=O)C(=O)OC	PC-id_7612107	417.475	BIWUMKCVSAGNNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123314
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)CO)C(=O)OC	PC-id_5033263	417.475	VETSGNMKEKGVBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123315
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1c(OC)cccc1)C(=O)OC	PC-id_7811208	417.475	FVMBEQZHEAXEDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123316
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)Cc1ccc(O)cc1)C(=O)OC	PC-id_8671916	417.475	VFPWSNUJWSTJQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123317
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C=Cc1oc(cc1)C)C(=O)OC	PC-id_4021276	417.475	FQSJNCFWPRNGLN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-123318
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)[C@H](O)c1ccccc1)C(=O)OC	PC-id_7821407	417.475	MVOHIMYMIJFWCO-GOSISDBHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123319
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)[C@@H](O)c1ccccc1)C(=O)OC	PC-id_7821411	417.475	MVOHIMYMIJFWCO-SFHVURJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123320
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)COc1ccccc1)C(=O)OC	PC-id_4437514	417.475	OPDRWZGDTBWFHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123321
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C(O)c1ccccc1)C(=O)OC	PC-id_78548152	417.475	MVOHIMYMIJFWCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123322
s1c(CN2CCn3c(nnc3[C@H](NC(=O)c3c(F)ccc(F)c3)C)CC2)ccc1	PC-id_42322996	417.475	WHXVKEKTUNAQNQ-CYBMUJFWSA-N	00000000100100110101000000000010000000000000000000000000	31-01-123323
s1c(CN2CCn3c(nnc3[C@@H](NC(=O)c3c(F)ccc(F)c3)C)CC2)ccc1	PC-id_42323003	417.475	WHXVKEKTUNAQNQ-ZDUSSCGKSA-N	00000000100100110101000000000010000000000000000000000000	31-01-123324
COc1ccc(F)c(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)c1	PC-id_45205068,EMOLS-id_20550729,MCULE-6953550318	417.477	DHTTXPMFYLASLM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-123325
COc1ccc(F)c(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c1	PC-id_29256171,CoCoCo_1344734,CoCoCo_1344736,ZINC22_20995863	417.477	DHTTXPMFYLASLM-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-123326
COc1ccc(F)c(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c1	ZINC22_20995865,CoCoCo_1344735,PC-id_29256172,CoCoCo_1344733	417.477	DHTTXPMFYLASLM-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-123327
Fc1cc(C(N2CCOCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56139842	417.477	RJUSPKDBYZPZAC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123328
Fc1c(N2CC(OC(C2)C)C)ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c1	PC-id_55799898	417.477	MKQPPWOJSJTSGG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123329
OC(=O)c1cc(c2-c1ccccc2)Cc1cccc(c1)NS(=O)(=O)c1ccccc1	PC-id_139755194	417.477	QSADEUHCOMPWTA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-123330
c1(NC(=O)COCC(=O)O)sc2c(CCCCC2)c1C(=O)NCc1cccnc1	EMOLS-id_4099003,CoCoCo_6833907,TIMTEC502679,MCULE-9001022320,ZINC22_17091064,PC-id_17379594	417.479	VKLIODAIHDACSI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-123331
COC(=O)CCC(=O)N1CCc2nc(C(=O)Nc3cccc(OC)c3)sc2CC1	EMOLS-id_44379272,PC-id_97524653,ZINC22_96264720	417.479	GDKQWBCPZKAYET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123332
Fc1c(Cn2c(cc3c2cccc3)C(=O)NCc2n3CCCCCc3nn2)cccc1	PC-id_60464941	417.479	ZCQDMZWRBFOEQS-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-123333
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OCC(=O)N)cc1	PC-id_9092565	417.479	IDNVBJWJGAZHLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123334
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1occc1)C)C(=O)OCC	PC-id_19659558	417.479	HVWXHLZZSAHBCE-WSDLNYQXSA-N	00000000101000000100000000000010000000000000000000000000	31-01-123335
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1oc(cc1)C)C(=O)OCC	PC-id_4435011	417.479	NPCDWUQVBDTPMV-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-123336
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1oc(cc1)C)C(=O)OCC	PC-id_6109644	417.479	NPCDWUQVBDTPMV-SRZZPIQSSA-N	00000000101000000100000000000010000000000000000000000000	31-01-123337
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1occc1)C)C(=O)OCC	PC-id_73634042	417.479	HVWXHLZZSAHBCE-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-123338
Fc1cc(F)cc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c1	CoCoCo_1312168,ZINC22_20906593,PC-id_29209470,CoCoCo_1312169,EMOLS-id_20528287,MCULE-5837653267	417.495	VDJXFZYLJHGVPB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123339
OCC1OC(CC(C1C=C)O)c1cc(ccc1C(=O)N)Cc1cc2-c(c1)ccccc2	PC-id_142858236	417.497	GZFKLBXIPFOSJB-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-123340
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCNC(=O)c1ccc(F)cc1	PC-id_56024155	417.497	FGHKVQVBRANNQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123341
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1cc(F)ccc1F	PC-id_109450535	417.499	PMGYYTYONYMQTR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123342
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)c1ccc(cc1F)F	PC-id_111920671	417.499	BEOCVYJMOGPBKY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-123343
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)c1c(F)cccc1F	PC-id_109613714	417.499	AVAGHNQUBLPSDY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-123344
CN=C(NC1CCN(C1)c1ccc(cc1F)F)NCCc1nnc2n1CCCCC2	PC-id_111920697	417.499	YPTWRYFYGRWAAN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-123345
CN=C(NC1CCN(C1)c1c(F)cccc1F)NCCc1nnc2n1CCCCC2	PC-id_109613290	417.499	OPYKLDZHHSOOIY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-123346
CC(C)c1ccc2-c(c(cc2CCC/C=NNC(=O)Nc2ccccc2)C(=O)O)cc1	CHEMBL1206694	417.5	ZOFSMRBLVUVSTD-YSMPRRRNSA-N	00000010100000110110000000000010000000000000000000000000	31-01-123347
COc1ccc(NC(=O)c2ccc3CCN(CCn23)C(=O)Cc2ccc(C)cc2)cc1	EMOLS-id_313782931,ZINC22_585110939	417.5	CYMUQTGTMYRWCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123348
O=C1N(c2c([nH]c(c2)C(=O)O)[C@H](N[C@H]1Cc1ccccc1)C(C)C)Cc1ccccc1	PC-id_53342634	417.5	ZGJIGOWCZGAREC-SIKLNZKXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123349
O=C1N(c2c([nH]c(c2)C(=O)O)C(NC1Cc1ccccc1)C(C)C)Cc1ccccc1	PC-id_76016765	417.5	ZGJIGOWCZGAREC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123350
OC(=O)c1c2-c(c(CCCC=NNC(=O)Nc3ccccc3)c1)ccc(C(C)C)cc2	PC-id_44292328	417.5	ZOFSMRBLVUVSTD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-123351
S1C(Cc2ccc(F)cc2)C(=O)NC(C1)C(=O)NCc1n2CCCCCc2nn1	PC-id_24676734	417.5	LMNFJDQRKWPWTM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123352
c1(C(C(C)C)NC(=O)CC)nnc2CCN(CCn12)C(=O)C1=CC(=O)CC(O1)(C)C	EMOLS-id_20502253,MCULE-9133546028,PC-id_45194056	417.502	XGPBNVWKKIOQHE-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-123353
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(cc3OC)O)CCn12	EMOLS-id_20402672,PC-id_45171025,MCULE-3254514605	417.502	FZWIOEZDNIZKIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123354
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(c(OC)c3)O)CCn12	MCULE-2110978275,EMOLS-id_232731440,ChEMBL-DNDi_CHEMBL32145617,PC-id_45930294	417.502	LLUMCRZTBIEDSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123355
c1(NC(=S)NC(=O)c2ccc3c(OCO3)c2)sc2c(CCCCC2)c1C(=O)N	MCULE-8185044379,ZINC22_2861882,PC-id_2215218,CoCoCo_1009736,EMOLS-id_1791357	417.502	DNBLOUUBIYNRNM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-123356
CCC(=O)N[C@H](c1nnc2n1CCN(C(=O)C1=CC(=O)CC(C)(C)O1)CC2)C(C)C	ZINC22_12211967,PC-id_42467563,CoCoCo_1274727	417.502	XGPBNVWKKIOQHE-SFHVURJKSA-N	00000000100011000101000000000010000000000000000000000000	31-01-123357
CCC(=O)N[C@@H](c1nnc2n1CCN(C(=O)C1=CC(=O)CC(C)(C)O1)CC2)C(C)C	ZINC22_12211970,CoCoCo_1274726,PC-id_42467565	417.502	XGPBNVWKKIOQHE-GOSISDBHSA-N	00000000100011000101000000000010000000000000000000000000	31-01-123358
CCOc1cccc(CN2CCc3nnc(C(C)NC(=O)CCOC)n3CC2)c1O	PC-id_45172133,EMOLS-id_20407494,MCULE-7986532772,ChEMBL-DNDi_CHEMBL12648953	417.502	VQUBPOPAZIGXRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123359
CCOc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)CCOC)n3CC2)c1O	CoCoCo_1141687,CoCoCo_1141686,ZINC22_23144893	417.502	VQUBPOPAZIGXRC-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123360
CCOc1cccc(CN2CCc3nnc([C@H](C)NC(=O)CCOC)n3CC2)c1O	CoCoCo_1141688,ZINC22_23144898,CoCoCo_1141689	417.502	VQUBPOPAZIGXRC-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123361
COCC1CCN(CC1)C(=O)C1CCc2nn(Cc3c(C)noc3C)c(=O)n2CC1	MCULE-7181572553,EMOLS-id_207876818	417.502	QDDYBVLKHDUYQT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-123362
COCCC(=O)NC(C)c1nnc2CCN(Cc3cccc(OC)c3OC)CCn12	PC-id_45198036,EMOLS-id_20520075,ChEMBL-DNDi_CHEMBL31914861,MCULE-9139127553	417.502	ZPMMAGVXNQXIAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123363
COCCC(=O)NC(C)c1nnc2CCN(Cc3cc(OC)ccc3OC)CCn12	PC-id_45178723,EMOLS-id_20435785,MCULE-8405875628	417.502	XXCABKZKMQPFAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123364
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(OC)c1OC)CC2	PC-id_42365681,ZINC22_12034381,CoCoCo_1300319,CoCoCo_1300320	417.502	ZPMMAGVXNQXIAW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123365
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(OC)c1OC)CC2	PC-id_42365684,CoCoCo_1300317,ZINC22_12034383,CoCoCo_1300318	417.502	ZPMMAGVXNQXIAW-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123366
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cc(OC)ccc1OC)CC2	CoCoCo_1180626,PC-id_42373484,CoCoCo_1180625,ZINC22_12042804	417.502	XXCABKZKMQPFAD-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123367
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cc(OC)ccc1OC)CC2	ZINC22_12042802,CoCoCo_1180627,CoCoCo_1180628,PC-id_42373481	417.502	XXCABKZKMQPFAD-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123368
COCCOCc1nc(no1)C1CCN(CC1)C(=O)c1n[nH]c2CCCCCCc12	PC-id_91909889,EMOLS-id_49722297,MCULE-3434811772	417.502	KPTAWFVBLKXIBI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-123369
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(O)cc1OC)CC2)C(C)C	CoCoCo_1135245,ZINC22_11972462,CoCoCo_1135246	417.502	FZWIOEZDNIZKIU-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123370
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(O)cc1OC)CC2)C(C)C	CoCoCo_1135247,ZINC22_11972459,CoCoCo_1135248	417.502	FZWIOEZDNIZKIU-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123371
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(O)c(OC)c1)CC2)C(C)C	ZINC22_12035137	417.502	LLUMCRZTBIEDSG-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123372
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(O)c(OC)c1)CC2)C(C)C	ZINC22_12035140	417.502	LLUMCRZTBIEDSG-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123373
Fc1ccc(c2[nH]ncc2C[NH+]2CCn3c(nnc3CCc3ccccc3)CC2)cc1	GD-id_ZINC12122441,PC-id_29002571	417.502	JAEPAIDBJQQWQZ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-123374
N#Cc1nc2oc1N(C)C/C=CC[C@@H](C(=O)N[C@H]2C(C)(C)C)NC(=O)[C@H](C(C)C)O	PC-id_146048331	417.502	HKLSTUYFKRDDHK-YEZCICINSA-N	00000000100000000111000000000010000000000000000000000000	31-01-123375
s1c2CCCCCc2cc1C(=O)OCCCN1C(=O)C2[N+](=CN=C2N(C1=O)C)C	PC-id_74468753	417.502	CICOGFBNSJITJI-UHFFFAOYSA-N	00000011100010000101000000000110000000000000000000000000	31-01-123376
s1c2c(CCCCC2)c(c1NC(=O)Cn1c(=O)c2c(scc2)nc1)C(=O)OC	PC-id_8594244	417.502	AHNMQPWSGBOJCX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-123377
s1c2c(CCCCC2)c(c1NC(=O)COc1ncnc2sccc12)C(=O)OC	PC-id_3918667	417.502	RYIJEJNVZHNAIR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-123378
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)N(C)C)c2)Cc1ccccc1	PC-id_20964724,EMOLS-id_16324646,MCULE-2576594525,CoCoCo_2544522	417.503	ZSYPISJWBKMOKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123379
C/C=CC=C(/C(=C)c1[nH]c2c(n1)ccc(c2)C(=O)NCc1n[nH]c2c1CCCCC2)O	PC-id_143458235	417.503	BILZCHOUCNGSHP-IIVUGMJXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-123380
n12CCN(CCc1nnc2CNC(=O)COc1ccccc1)CC=Cc1ccccc1	MCULE-3725062161,PC-id_74787025	417.503	VLQVRFBTXUWKRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123381
O=c1n2CCCCCc2nn1CC(=O)Nc1c(CN2CCc3c2cccc3)cccc1	PC-id_55896225	417.503	NEDFGOMQGWXASM-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-123382
O=C(COc1ccccc1)NCc1nnc2CCN(C/C=C/c3ccccc3)CCn12	CoCoCo_1285450,EMOLS-id_44852239,ZINC22_11910667,PC-id_42274882,CoCoCo_1285452	417.503	VLQVRFBTXUWKRC-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123383
O=C(C(=O)NCCc1nnc2n1CCCCC2)Nc1ccccc1Cc1ccccc1	GD-id_ZINC41223372	417.503	BQBMXWVJIANRCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123384
O=C(Nc1ccccc1C(=O)NCCc1nnc2n1CCCCC2)Cc1ccccc1	GD-id_ZINC44252989	417.503	XHTWKORTSXVXLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123385
O=C(NCc1nnc2n1CCN(CC2)C/C=Cc1ccccc1)COc1ccccc1	CoCoCo_1285451,CoCoCo_1285449	417.503	VLQVRFBTXUWKRC-YFHOEESVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123386
COc1nc(N)nc2c1cc(s2)C(=O)NNC(=O)c1sc2c(c1)CCCCC2	EMOLS-id_24997345,MCULE-5626468180,PC-id_37945437,CoCoCo_4668669	417.505	YEIYFGMNRYQBRM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-123387
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1n[nH]c2CCCCCc12	MCULE-4611603315,EMOLS-id_335103668	417.505	ORXITUVDYTVBTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123388
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc(nn1)c1ccsc1)C(=O)OC	PC-id_9128110	417.505	YVWPAMUCBTWOGX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-123389
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1OC)OC)C(=O)OC(C)C	ZINC22_647952,PC-id_994477,TIMTEC103435,SPECS-id_AK-968/41017373,EMOLS-id_4099199,CoCoCo_6790569,MCULE-2627806124	417.518	CMZPSQOPTJIUBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123390
c1(c2CCCCCc2sc1NC(=O)c1ccc(c(OC)c1)OC)C(=O)OC(C)C	ChEMBL-DNDi_CHEMBL5696439,SPECS-id_AK-968/11987152,ZINC22_2081801,MCULE-2559398736,TIMTEC205222,CoCoCo_683651,PC-id_1741086,EMOLS-id_1094502	417.518	HXBAOWIRVFLSSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123391
c1(c2CCCCCc2sc1NC(=O)c1cc(OC)cc(OC)c1)C(=O)OC(C)C	SPECS-id_AK-968/12341076,ZINC22_997783,EMOLS-id_4099193,TIMTEC350579,PC-id_1222191,CoCoCo_6785758,MCULE-6167144554	417.518	OCSORCTXVZYXPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123392
c1(c2CCCCCc2sc1NC(=O)C1C(C(=O)O)C2CC1C=C2)C(=O)OC(C)C	PC-id_4549752,MCULE-9448240842,EMOLS-id_4099183,TIMTEC406855	417.518	QNNSRAVTQRKQDP-UHFFFAOYSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123393
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCCCC2)c1C(=O)OCCC	MCULE-8243065317,CoCoCo_6255462,TIMTEC179819,EMOLS-id_4099185,ZINC22_5468959,PC-id_4248765	417.518	GUJNNCDHIXJWPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123394
c1(NC(=O)c2ccc(cc2OC)OC)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC187847,MCULE-5522674825,EMOLS-id_1094528,CoCoCo_5815914,ZINC22_2737768,PC-id_5083869	417.518	HDNJKYQSEHLMKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123395
c1(NC(=O)c2c(cccc2OC)OC)sc2c(CCCCCC2)c1C(=O)OCC	ZINC22_2794927,MCULE-9046849717,CoCoCo_1849774,TIMTEC445091,EMOLS-id_4099207,PC-id_5079354	417.518	SEGSYZIHPXLRPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123396
c1(NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL5694967,CoCoCo_683336,PC-id_1358491,EMOLS-id_2095351,MCULE-6363262769,ZINC22_1200117,TIMTEC415055	417.518	QWPNVUHWPJJBTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123397
c1(NC(=O)c2cc(OC)cc(OC)c2)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4099217,CoCoCo_6785848,TIMTEC551116,ZINC22_669368,PC-id_1009424,SPECS-id_AK-968/12687109,MCULE-1934605871	417.518	XMOMHONWQIIKAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123398
c1(NC(=O)C2C(C(=O)O)C3CC2C=C3)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_2933397,MCULE-6413135304,EMOLS-id_2446127,TIMTEC220565,SPECS-id_AK-968/12689653	417.518	INVWZBUELNTXFW-UHFFFAOYSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123399
c1(NC(=O)C2C(C(=O)O)C3C=CC2C3)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-9315275114,PC-id_3283098,EMOLS-id_2575662,TIMTEC312320	417.518	MMDQSYAXRCIIGA-UHFFFAOYSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123400
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_2753350,MCULE-8018853414,EMOLS-id_4099197,CoCoCo_6786545,TIMTEC178039,PC-id_3628283	417.518	GSJNKEKSBSUFDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123401
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_2443745,ZINC22_669377,TIMTEC160220,MCULE-3852831210,CoCoCo_902769,PC-id_1009430,SPECS-id_AK-968/12687127	417.518	FYJYXDLYCJGLPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123402
CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_5820917,PC-id_11914886,ZINC22_5633319	417.518	QNNSRAVTQRKQDP-OQUILHJVSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123403
CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_11914884,ZINC22_5633318,CoCoCo_5820918	417.518	QNNSRAVTQRKQDP-GFOFROLCSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123404
CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_6567622,ZINC22_4628782,CoCoCo_907086	417.518	INVWZBUELNTXFW-OQUILHJVSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123405
CCCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_245227513	417.518	INVWZBUELNTXFW-MGBSGCIJSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123406
CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_245227514	417.518	INVWZBUELNTXFW-WRFANHODSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123407
CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_245227822	417.518	QNNSRAVTQRKQDP-MGBSGCIJSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123408
CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_245227824	417.518	QNNSRAVTQRKQDP-WRFANHODSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123409
CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_4628781,CoCoCo_907087,PC-id_11895311	417.518	INVWZBUELNTXFW-GFOFROLCSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123410
CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_907088	417.518	INVWZBUELNTXFW-DLTLXFJOSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123411
CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_907090,PC-id_1743946	417.518	INVWZBUELNTXFW-NSNWQYSKSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123412
CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_907091	417.518	INVWZBUELNTXFW-OSRSDYAFSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123413
CCCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_907092,PC-id_27025783	417.518	INVWZBUELNTXFW-RMHZUWNSSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123414
CCCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_907093	417.518	INVWZBUELNTXFW-UWWPHRKUSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123415
CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2	PC-id_7000705,CoCoCo_907089	417.518	INVWZBUELNTXFW-IXKJSCDLSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123416
CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2	PC-id_18556348,ZINC22_102206646	417.518	QNNSRAVTQRKQDP-CLROSIBMSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123417
CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2	PC-id_23306718,ZINC22_101714309	417.518	INVWZBUELNTXFW-PYTWLRIVSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123418
CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2	ZINC22_101714306,PC-id_20024413	417.518	INVWZBUELNTXFW-CLROSIBMSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123419
CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2	ZINC22_102206654,PC-id_18556350	417.518	QNNSRAVTQRKQDP-PYTWLRIVSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123420
CCOC(=O)c1c(C)[nH]c(c1C)C(=O)C(OC(=O)c1cc2c(s1)CCCCC2)C	PC-id_42899187,MCULE-8196722645,EMOLS-id_24167611	417.518	BTSMNIBFHVUYMN-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-123421
CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc3c(s2)CCCCC3)c1C	CoCoCo_2861397,ZINC22_4767970,PC-id_7352061	417.518	BTSMNIBFHVUYMN-AWEZNQCLSA-N	00000000110000000100000000000010000000000000000000000000	31-01-123422
CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCCCC3)c1C	PC-id_7352060,CoCoCo_2861398,ZINC22_4767967	417.518	BTSMNIBFHVUYMN-CQSZACIVSA-N	00000000110000000100000000000010000000000000000000000000	31-01-123423
c1(NC(=O)CCC(=O)NCc2ccc(c(OC)c2)OC)sc2c(CCCCC2)n1	EMOLS-id_335067253,MCULE-7634910055	417.522	LAJQZBPGMIYLKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123461
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCC2	CoCoCo_1849779,ZINC22_4112834,PC-id_51399769	417.518	MMDQSYAXRCIIGA-OQUILHJVSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123424
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCC2	CoCoCo_1849780,ZINC22_4112833,PC-id_51399767	417.518	MMDQSYAXRCIIGA-GFOFROLCSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123425
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_239159621	417.518	MMDQSYAXRCIIGA-MGBSGCIJSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123426
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCC2	ZINC22_239159622	417.518	MMDQSYAXRCIIGA-WRFANHODSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123427
CC(OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2)C	CoCoCo_5820919	417.518	QNNSRAVTQRKQDP-DLTLXFJOSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123428
CC(OC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2)C	CoCoCo_5820921	417.518	QNNSRAVTQRKQDP-NSNWQYSKSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123429
CC(OC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2)C	CoCoCo_5820922	417.518	QNNSRAVTQRKQDP-OSRSDYAFSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123430
CC(OC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2)C	CoCoCo_5820923,PC-id_27525344	417.518	QNNSRAVTQRKQDP-RMHZUWNSSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123431
CC(OC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2)C	CoCoCo_5820924	417.518	QNNSRAVTQRKQDP-UWWPHRKUSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123432
CC(OC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2)C	PC-id_27525342,CoCoCo_5820920	417.518	QNNSRAVTQRKQDP-IXKJSCDLSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123433
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_1849781	417.518	MMDQSYAXRCIIGA-DLTLXFJOSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123434
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_1849783	417.518	MMDQSYAXRCIIGA-NSNWQYSKSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123435
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_1849784	417.518	MMDQSYAXRCIIGA-OSRSDYAFSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123436
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_1849785,PC-id_27525356	417.518	MMDQSYAXRCIIGA-RMHZUWNSSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123437
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCC2	CoCoCo_1849786	417.518	MMDQSYAXRCIIGA-UWWPHRKUSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123438
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCC2	PC-id_27525354,CoCoCo_1849782	417.518	MMDQSYAXRCIIGA-IXKJSCDLSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123439
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCC2	ZINC22_100858950,PC-id_98145179	417.518	MMDQSYAXRCIIGA-CLROSIBMSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123440
c1(NC(=O)CCC(=O)NCCOc2ccc(OC)cc2)sc2c(CCCCC2)n1	MCULE-8546923179,EMOLS-id_335057018	417.522	UDPVUMOYAIXZIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123462
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCC2	ZINC22_100858954,PC-id_98145181	417.518	MMDQSYAXRCIIGA-PYTWLRIVSA-N	00000011100000000100000000000110000000000000000000000000	31-01-123441
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)CCC(=O)OC)C	PC-id_7352160	417.518	KCMGMLKDNYLPJC-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-123442
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(OCC)c(OCC)cc1	PC-id_7352072	417.518	KTFPCPRCDTUJBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123443
s1c2CCCCCc2cc1C(=O)OC(C(=O)NCc1cc(OC)c(OC)cc1)C	PC-id_55418349	417.518	FTAHIXFPTPJSKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123444
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(c1c(OC)ccc(OC)c1)C	PC-id_85001897	417.518	QPOQBPBPRGUPQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123445
s1c2CCCCCc2cc1C(=O)OCC(=O)NCCc1cc(OC)c(OC)cc1	PC-id_2670090	417.518	LILHTVVGEQZPID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123446
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@H](c1c(OC)ccc(OC)c1)C	PC-id_9403172	417.518	QPOQBPBPRGUPQY-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123447
s1c2CCCCCc2cc1C(=O)OCC(=O)N[C@@H](c1c(OC)ccc(OC)c1)C	PC-id_9403184	417.518	QPOQBPBPRGUPQY-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123448
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)NCc1cc(OC)c(OC)cc1)C	PC-id_8254749	417.518	FTAHIXFPTPJSKQ-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123449
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)NCc1cc(OC)c(OC)cc1)C	PC-id_8254751	417.518	FTAHIXFPTPJSKQ-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123450
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)cc(OC)c1)C(=O)OCCC	PC-id_4167613	417.518	RPVLATZAQSRPTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123451
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)c(OC)cc1)C(=O)OCCC	PC-id_5011484	417.518	JMJFDLBVHRARGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123452
s1c2c(CCCCC2)c(c1NC(=O)c1c(OC)cccc1OC)C(=O)OC(C)C	PC-id_4349680	417.518	KSFHCXRSSKZEOT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123453
s1c2c(CCCCC2)c(c1NC(=O)c1c(OC)cc(OC)cc1)C(=O)OCCC	PC-id_4143612	417.518	GRSXGBSJFMAVFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123454
s1c2CCCCCCc2cc1C(=O)OC(C(=O)Nc1c(OC)ccc(OC)c1)C	PC-id_24341559	417.518	WOZOYVAKTTUPER-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123455
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCc1cc(OC)c(OC)cc1	PC-id_7618236	417.518	OEQDUCJKKHNGHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123456
s1c2CCCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(OC)ccc(OC)c1)C	PC-id_42243079	417.518	WOZOYVAKTTUPER-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123457
s1c2CCCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(OC)ccc(OC)c1)C	PC-id_42243080	417.518	WOZOYVAKTTUPER-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123458
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s1c2CCCCCc2nc1NC(=O)c1sc(nc1C)COc1ccc(F)cc1	PC-id_24622825	417.52	YZSWMJRTJUDTQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123460
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s1c2CCCCCc2cc1C(=O)NNC(=O)CCN1C(=O)C2C(CCCC2)C1=O	PC-id_55349187	417.522	ZLOIFPZRQHJVJR-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-123464
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)CN1CCCCCC1=O)C)C#N	PC-id_8573235	417.522	UTNMGEKAZOFDGF-AWEZNQCLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-123465
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)CN1CCCCCC1=O)C)C#N	PC-id_8573241	417.522	UTNMGEKAZOFDGF-CQSZACIVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-123466
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1CCCN(C1)C(=O)CC)C#N	PC-id_55818141	417.522	KDJSPYSZDGMGOP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-123467
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CN1CCCCCC1=O)C)C#N	PC-id_78727364	417.522	UTNMGEKAZOFDGF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-123468
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNC(=O)C1CCCCC1)C#N	PC-id_4263845	417.522	BTGMARUXGOMORT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-123469
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)c1occc1)C(C)C	PC-id_29907692	417.522	XNTLLSQSEFBYMI-SFHVURJKSA-N	00000000101000000100000000000010000000000000000000000000	31-01-123470
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(NC(=O)c1occc1)C(C)C	PC-id_24643169	417.522	XNTLLSQSEFBYMI-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-123471
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(cc1)CN1Cc2c(cccc2)C1=O	EMOLS-id_323311688,MCULE-2571296937	417.523	YSXDUTXAPGEOTF-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-123472
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OC[C@@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)C)C)C	CHEBI:96537,PC-id_44505368	417.524	KPZGSTQZFNZEDR-OFQRWUPVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123488
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)C)C)C	CHEBI:96877,PC-id_44504950	417.524	KPZGSTQZFNZEDR-YCPHGPKFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123489
OC[C@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)C)C)C	PC-id_44504966,CHEBI:112609	417.524	KPZGSTQZFNZEDR-LZWOXQAQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123490
OC[C@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)C)C)C	PC-id_44505162,CHEBI:112540	417.524	KPZGSTQZFNZEDR-SQWLQELKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123491
OC[C@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)C)C)C	PC-id_44505741,CHEBI:112491	417.524	KPZGSTQZFNZEDR-IIAWOOMASA-N	00000000100000000101000000000010000000000000000000000000	31-01-123492
OC[C@@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)C)C)C	PC-id_44505744,CHEBI:112590	417.524	KPZGSTQZFNZEDR-DZKIICNBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123493
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)C	PC-id_75036140	417.524	KPZGSTQZFNZEDR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123494
S(=O)(=O)(N(CC1OCc2nnn(CCCC(=O)N(CC1C)C(CO)C)c2)C)C	PC-id_75036143	417.524	PUHFBKBPROGAIN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123495
c1(C(CC(C)C)NC(=O)C)nnc2CCN(CCn12)C(=O)c1csc(C(=O)C)c1	EMOLS-id_20727569,MCULE-5893356522,PC-id_45247309	417.525	QKDAFRQHXHXJIQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-123496
Cc1c(c(=O)[nH]c(n1)N1CCOCC1)CCC(=O)Nc1nc2c(s1)CCCCC2	PC-id_136085422	417.525	VCBZBQHFALZQPO-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-123497
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)c1csc(C(=O)C)c1)CC2	CoCoCo_1612923,ZINC22_12128752	417.525	QKDAFRQHXHXJIQ-INIZCTEOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-123498
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C(=O)c1csc(C(=O)C)c1)CC2	ZINC22_12128746,CoCoCo_1612924	417.525	QKDAFRQHXHXJIQ-MRXNPFEDSA-N	00000000100100000101000000000010000000000000000000000000	31-01-123499
COc1ccc(cc1)CN1C(=O)c2nsnc2N(CC1(C)C(=O)NC(C)(C)C)C	SCHEMBL14399103,PC-id_71162342	417.525	FEJJPJYHTWHXAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123500
O=C(Cn1nc2n(c1=O)CCCCC2)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_25638400,EMOLS-id_24099478,CoCoCo_4758056,MCULE-1950292571	417.525	JWTWUHUCIVKEAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123501
s1c2CCCCCc2nc1NC(=O)CCC1C(=NC(=NC1=O)N1CCOCC1)C	PC-id_74303349	417.525	HNOYGTRNTFBLJO-UHFFFAOYSA-N	00000000100011000101100000000010000000000000000000000000	31-01-123502
S1(=O)(=O)CCN(CC1)C(c1ccccc1)C(=O)NCc1n2CCCCCc2nn1	PC-id_56573729	417.525	YNPQULMDFNOOOO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123503
S(=O)(=O)(N1CC(CCC1)C(=O)NCc1n2CCCCCc2nn1)c1ccccc1	PC-id_46480592	417.525	GPBGVQYQMKZXAP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123504
S(=O)(=O)(NC1CC1)c1cc(c(cc1)C)C(=O)NCCc1n2CCCCCc2nn1	PC-id_55534933	417.525	LNMKVDPOJSIDJF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-123505
S(=O)(=O)(NC(c1n2CCN(CCc2nn1)Cc1oc2c(c1)cccc2)C(C)C)C	PC-id_45166700	417.525	RAAMJKHKZPZUSO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-123506
S(=O)(=O)(NCC)c1ccc(/C=C/C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55677694	417.525	MTEWWOCFEXQRDX-FMIVXFBMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123507
S(=O)(=O)(NCC)c1ccc(C=CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_76252189	417.525	MTEWWOCFEXQRDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123508
n12CCN(CCc1nnc2CNC(=O)c1ccccc1)Cc1cc2c(cccc2)s1	MCULE-8420769132,EMOLS-id_232716446,ZINC22_11995741,PC-id_42340548	417.527	OCDWEMLYVUSISG-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-123509
S(c1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1)c1c(cccc1)C#N	PC-id_60404876	417.527	NNKGDBRMZRVMST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123510
CCCCn1c(=O)nc(c2c1nc(n2CC)CSc1nnc2n1CCCCC2)O	PC-id_16384219,MCULE-7576727708,CoCoCo_4054324,EMOLS-id_11851785,CoCoCo_4054323	417.528	UGJMLZUXSFOEON-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-123511
O=C(Cc1csc(n1)N1CCCNC1=O)NCCCc1nnc2n1CCCCC2	PC-id_86884583	417.528	BYQFFWKNEHNHPM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-123512
s1c(NC(=O)C2CCCN(C2)C(=O)NCCc2n3CCCCCc3nn2)ncc1	PC-id_55913169	417.528	FRFZHZOJNXSHBJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-123513
CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCOCC1	PC-id_121358887,BindingDB-id_731713,SCHEMBL17777961,BindingDB_PC-id_121358887	417.542	BKOYRQXODZNGJL-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-123514
CCOCC1CCN(CC1)c1cc(c(cc1)C)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478328	417.543	LZVFHDVTZLBLTO-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-123515
CCOCC1CCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077203	417.543	LZVFHDVTZLBLTO-ZXVVBBHZSA-N	00000010100010110110100000000010000000000000000000000000	31-01-123516
Cn1ccc2c1C(CCN(S2)CCCN1CCN(CC1)c1ccc(cc1)F)N=O	PC-id_91425007	417.543	JIQAUDYIHWIUEA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123517
O/N=C/1CCN(Sc2c1n(CCCN1CCN(CC1)c1ccc(cc1)F)cc2)C	PC-id_139804320	417.543	OOPHNRLOINABPD-FCDQGJHFSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123519
S1N(CCCN2CCN(CC2)c2ccc(F)cc2)CCC(=NO)c2n(ccc12)C	PC-id_58648717	417.543	WHZSHHCPKMQNPN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123520
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(C(=O)CC3CCCC3)CCn12	PC-id_45191308,EMOLS-id_20490303,MCULE-8489036513	417.545	RLLQHPUKORFODR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-123521
c1(NC(=S)NC(=O)c2ccc(cc2)OC)sc2c(CCCCCC2)c1C(=O)N	PC-id_1933312,MCULE-7647985841,STOCK2S-76021,CoCoCo_1740206,EMOLS-id_4457521,ZINC22_2316713,TIMTEC313671	417.545	MNNTUYPSDPBFME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123522
Cc1ccccc1N(CC(=O)Nc1sc2c(c1C#N)CCCCC2)S(=O)(=O)C	EMOLS-id_48952527,CoCoCo_3665550,MCULE-6369245429,ZINC22_32674706,PC-id_39910583	417.545	JPZDKMBEFAOJRC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123523
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)CC1CCCC1)CC2	CoCoCo_1257306,ZINC22_11997828	417.545	RLLQHPUKORFODR-XLIONFOSSA-N	00000010100000000101000000000010000000000000000000000000	31-01-123524
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)CC1CCCC1)CC2	ZINC22_11997826,CoCoCo_1257305	417.545	RLLQHPUKORFODR-YLJYHZDGSA-N	00000010100000000101000000000010000000000000000000000000	31-01-123525
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)CC1CCCC1)CC2	ZINC22_11997832,CoCoCo_1257304	417.545	RLLQHPUKORFODR-FXAWDEMLSA-N	00000010100000000101000000000010000000000000000000000000	31-01-123526
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)CC1CCCC1)CC2	ZINC22_11997835,CoCoCo_1257303	417.545	RLLQHPUKORFODR-PXNSSMCTSA-N	00000010100000000101000000000010000000000000000000000000	31-01-123527
CCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)c1	PC-id_20166118,ZINC22_6950145	417.545	PVTNRMTUCOKUMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123528
CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	ZINC22_6946113,PC-id_20166124	417.545	NJCHLWXGIIFGGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123529
COc1c(C)cccc1C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_20166158,ZINC22_32125121	417.545	JTXZJHNGPYWTSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123530
O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)Nc1nc2c(s1)CCCCC2	ZINC22_12753381,CoCoCo_4661004,PC-id_25484766	417.545	JDNYSWWCMBHVEW-FMIVXFBMSA-N	00000010100000110101100000000010000000000000000000000000	31-01-123531
O=C(N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)CCC1CCCCC1	PC-id_55916199	417.545	LSQMZYFXDGXQOG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-123532
O=C(Nc1cccc(S(=O)(=O)/N=C/CCCN2)c1)c1cc2c(s1)CCCCC2	EMOLS-id_3573345,CoCoCo_3221237,PC-id_16356499,ZINC22_35362660,MCULE-1010164703	417.545	BVULDQLKHFAKSO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-123533
O=C(Nc1nc2c(s1)CCCCC2)/C=Cc1ccc(cc1)N1CCCS1(=O)=O	CoCoCo_4661005	417.545	JDNYSWWCMBHVEW-XFXZXTDPSA-N	00000010100000110101100000000010000000000000000000000000	31-01-123534
O=C(Nc1nc2c(s1)CCCCC2)C=Cc1ccc(cc1)N1CCCS1(=O)=O	PC-id_72055399,MCULE-7037427734,EMOLS-id_26237082	417.545	JDNYSWWCMBHVEW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-123535
s1c2CCCCCc2cc1C(=O)NNC(=O)C1N(CCC1)C(=O)c1sccc1	PC-id_74295182	417.545	NBXIKMAHAPJVSF-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-123536
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@H]1N(CCC1)C(=O)c1sccc1	PC-id_24554072	417.545	NBXIKMAHAPJVSF-AWEZNQCLSA-N	00000010100100000100000000000010000000000000000000000000	31-01-123537
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)C1OCCC1)C#N	PC-id_78601530	417.545	PASOLOLOKZKNCQ-UHFFFAOYSA-O	00000010100010000101000000000010000000000000000000000000	31-01-123538
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)[C@H]1OCCC1)C#N	PC-id_8060003	417.545	PASOLOLOKZKNCQ-KRWDZBQOSA-O	00000010100010000101000000000010000000000000000000000000	31-01-123539
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)[C@@H]1OCCC1)C#N	PC-id_8060005	417.545	PASOLOLOKZKNCQ-QGZVFWFLSA-O	00000010100010000101000000000010000000000000000000000000	31-01-123540
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cccc1)C(=O)N)C(=O)OCC	PC-id_20414453	417.545	RAQOEKUXZZPLLZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123541
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)N)C(=O)OCC	PC-id_20414695	417.545	STENNRNAJWZVMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123542
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(NC(=O)C)cc1)C(=O)OC	PC-id_20414247	417.545	RQUSCASEOSWSBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123543
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(NC(=O)C)ccc1)C(=O)OC	PC-id_19678508	417.545	PGQIJRAWRPHQKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123544
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1sc(NC(=O)C2CC2)cc1	PC-id_24596524	417.545	KNWFQYKKDGMNSF-UHFFFAOYSA-N	00100000100100000100000000000010000000000000000000000000	31-01-123545
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cccc1)C(=O)N)C(=O)OC	PC-id_20414446	417.545	YKJWUYNDALOBBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123546
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)N)C(=O)OC	PC-id_20414688	417.545	RYKGWUHOOUNKLK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123547
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3cc(C)cc(C)c3)CCn12	EMOLS-id_20443297,MCULE-7899790546,PC-id_45180446	417.547	JUTGIKDGHRYUHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123548
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12	MCULE-4817418485,EMOLS-id_20411084,PC-id_45172992,ChEMBL-DNDi_CHEMBL13143785	417.547	ZBPXDNJXLPENPB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123549
Cc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1	CoCoCo_1244426,PC-id_28956807,ZINC22_20454107,CoCoCo_1244425	417.547	MICGVKJMPMJJPE-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123550
Cc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1	ZINC22_20454109,PC-id_28956809,CoCoCo_1244427,CoCoCo_1244428	417.547	MICGVKJMPMJJPE-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123551
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(C)cc3C)CCn12	CoCoCo_1278411,ZINC22_11908870,CoCoCo_1278412,PC-id_42272639,MCULE-6709001833,EMOLS-id_20504911	417.547	XHFZOOPQLGSEJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123552
Cc1cc(C)cc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)c1	CoCoCo_1191113,PC-id_42330719,ZINC22_11980672,CoCoCo_1191112	417.547	JUTGIKDGHRYUHP-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123553
Cc1cc(C)cc(CN2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)c1	PC-id_42330724,CoCoCo_1191114,CoCoCo_1191115,ZINC22_11980677	417.547	JUTGIKDGHRYUHP-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123554
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)c1	CoCoCo_1295034,PC-id_29152027,ZINC22_20780735,CoCoCo_1295035	417.547	MTTDZHVUJKFOJC-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123555
Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)c1	ZINC22_20780732,CoCoCo_1295032,PC-id_29152026,CoCoCo_1295033	417.547	MTTDZHVUJKFOJC-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123556
Cc1cc(C)c(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1C	PC-id_30852422,CoCoCo_1124607,ZINC22_23128974,CoCoCo_1124606,MCULE-2652915754,EMOLS-id_20394590	417.547	LEPSZIRBVAVQJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123557
Cc1ccc(C(=O)NCCc2nnc3CCN(Cc4ccccc4C)CCn23)c(C)c1	EMOLS-id_20473155,CoCoCo_1233052,CoCoCo_1233051,ZINC22_11815088,PC-id_42191748,MCULE-9418097890	417.547	MURMDZKBIYTIAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123558
CCc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)cc1	EMOLS-id_20581793,CoCoCo_1391192,MCULE-3111845394,PC-id_26349282,ZINC22_14993972,CoCoCo_1391191	417.547	UWQIFWMUCCGNDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123559
CC(C)c1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1	MCULE-3875684337,EMOLS-id_20573789,PC-id_26345596,ZINC22_14990802,ChEMBL-DNDi_CHEMBL44003238,CoCoCo_1379073,CoCoCo_1379072	417.547	PTCVCNOGYZQDPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123560
CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)cc1	PC-id_29153317,CoCoCo_1302745,EMOLS-id_20521687,CoCoCo_1302744,ZINC22_20783683,MCULE-7459032724	417.547	PGEAUSGMELZTFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123561
CC(C)C(=O)NCCc1nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12	PC-id_26347737,CoCoCo_1385876,ChEMBL-DNDi_CHEMBL45160506,ZINC22_14992636,MCULE-7742484187,EMOLS-id_20578297,CoCoCo_1385877	417.547	SGVNGIVGLROXGB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123562
CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	CoCoCo_1146468,CoCoCo_1146467,ZINC22_12098687,PC-id_42406227	417.547	ZBPXDNJXLPENPB-LJQANCHMSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123563
CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	CoCoCo_1146469,CoCoCo_1146470,PC-id_42406225,ZINC22_12098686	417.547	ZBPXDNJXLPENPB-IBGZPJMESA-N	00000000100000110101100000000010000000000000000000000000	31-01-123564
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccccc3C)CCn12	EMOLS-id_20481101,MCULE-5398697556,PC-id_45189202	417.547	MICGVKJMPMJJPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123565
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CC([C@H]1/C=CC/C=CCCCCc2cc1c(C(=O)O)n2COCC[Si](C)(C)C)C	PC-id_101128937	417.657	QEAUVNYXMMIZMU-PDUBBOIUSA-N	00000000100000000110000000000010000000000000000000000000	31-01-123647
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1cc(cc(c1)Cl)C(F)(F)F	PC-id_86346064,SCHEMBL16093608	417.767	ZMXADRLCCXRXFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123648
CC(c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)C(F)(F)F)O	PC-id_90460564,SCHEMBL16099805	417.81	YXKBEJUZMAADHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123649
C1CN(CCc2c1nc(o2)C(=O)Nc1ccc(cc1)Cl)Cc1c(ccc(c1)F)F	PC-id_134806897	417.836	MXPULGWHLWYKSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123650
C1CN(CCc2c1nc(o2)C(=O)Nc1ccc(cc1)Cl)Cc1c(c(ccc1)F)F	PC-id_134807684	417.836	SCEZGCVEKDEJDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123651
C1CN(CCc2c1nc(o2)C(=O)Nc1ccc(cc1)Cl)Cc1c(cc(cc1)F)F	PC-id_134809561	417.836	OWDKASGNPYWDPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123652
Clc1cn(nc1C)CCCNC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F	PC-id_19523773	417.856	QACCZKDZRYGSSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123653
Clc1c(nn(c1)CC)CN(C(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)C	PC-id_19531187	417.856	BUIIWNDJFXYEML-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123654
C[C@H]1C=Cc2c(S(=O)(N1)(C)O)cn(c2C(=O)Nc1ccc(c(c1F)Cl)F)C	PC-id_145221695	417.858	QGRNEWLTGJNRGR-VIFPVBQESA-N	00000000100000110111000000000010000000000000000000000000	31-01-123655
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3c(cccc3F)Cl)CCn12	MCULE-9406453635,EMOLS-id_20435975,PC-id_45178778	417.864	FJGCMKLSCNLAOW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-123656
Cc1onc(c2c(F)cccc2Cl)c1C(=O)NCCc1nnc2n1CCCCC2	MCULE-4369644184,ZINC22_40030674,PC-id_45863436,EMOLS-id_29600376,CoCoCo_4491030	417.864	KDSDFFKQWWWWPN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123657
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2	CoCoCo_1180917,ZINC22_19838356,CoCoCo_1180918	417.864	FJGCMKLSCNLAOW-CYBMUJFWSA-N	00000000101000110101000000000010000000000000000000000000	31-01-123658
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2	CoCoCo_1180920,CoCoCo_1180919,ZINC22_19838358	417.864	FJGCMKLSCNLAOW-ZDUSSCGKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-123659
Fc1cccc(Cl)c1CN1CCc2nnc(CCNC(=O)c3ccco3)n2CC1	CoCoCo_1511684,ZINC22_19953457,EMOLS-id_20661635,CoCoCo_1511685,PC-id_28478112,MCULE-2788949460	417.864	FOMRYAWZPAEPSN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-123660
Cc1cc(Cl)ccc1OCC(=O)N1CCc2nnc(CNC(=O)C3CC3)n2CC1	ZINC22_12042667,CoCoCo_1180413,EMOLS-id_20435629,PC-id_42373373,MCULE-7911503150	417.889	RKCLKXSXZIDPBS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-123661
Clc1ccc(CC(=O)N2CCc3nnc(CNC(=O)C4CCOC4)n3CC2)cc1	MCULE-3400858753,PC-id_45178262,EMOLS-id_20433897	417.889	DMBDHFZDQJHOGH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-123662
Clc1cc(C(=O)N2CCCC2)c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55777202	417.889	VIJXBRGVDJRFSU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-123663
Clc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(C(=O)N2CCCC2)cc1	PC-id_55776963	417.889	FXAQFRRAJKHSBJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-123664
O=C(NCc1nnc2n1CCN(C(=O)Cc1ccc(Cl)cc1)CC2)[C@@H]1CCOC1	CoCoCo_1177982,ZINC22_12040650	417.889	DMBDHFZDQJHOGH-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-123665
O=C(NCc1nnc2n1CCN(C(=O)Cc1ccc(Cl)cc1)CC2)[C@H]1CCOC1	CoCoCo_1177983,ZINC22_12040654	417.889	DMBDHFZDQJHOGH-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-123666
Clc1ccc(C(=O)Nc2cc(/C=C(/c3n4CCCCCc4nn3)C#N)ccc2)cc1	PC-id_39974651	417.891	PHONUYNIQHVVHV-QGOAFFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-123667
Clc1ccc(C(=O)Nc2cc(C=C(c3n4CCCCCc4nn3)C#N)ccc2)cc1	PC-id_74669871	417.891	PHONUYNIQHVVHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123668
Clc1c(C(=O)Nc2cc(/C=C(/c3n4CCCCCc4nn3)C#N)ccc2)cccc1	PC-id_27115433	417.891	YAKHTTSGTQYZPS-GHRIWEEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-123669
Clc1c(C(=O)Nc2cc(C=C(c3n4CCCCCc4nn3)C#N)ccc2)cccc1	PC-id_74519842	417.891	YAKHTTSGTQYZPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123670
COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCCC3)c(cc1Cl)F	PC-id_142077892	417.906	IUNCJADKWUUTCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123671
CCOC(=O)c1c(Nc2ccc(cc2Cl)C#N)sc2c1CC(C)(C)CNC2=O	PC-id_69072299,SCHEMBL4508634	417.909	HDTPQVVWNPKLBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123672
ClC1=CCC2C(C1)C(=O)N(CC(=O)Nc1sc3CCCCCc3c1C#N)C2=O	BAS-01530174,EMOLS-id_1341258,PC-id_3132142,MCULE-8674627618,STOCK1S-64211	417.909	RYECMPYBDOLJHA-UHFFFAOYSA-N	00000010100011000100000000000110000000000000000000000000	31-01-123673
Clc1c(C(=O)OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)cc(N)cc1	PC-id_75979982	417.909	BTAXLCOMEUBBLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123674
Clc1c(C(=O)O[C@H](C(=O)Nc2sc3CCCCCc3c2C#N)C)cc(N)cc1	PC-id_52885880	417.909	BTAXLCOMEUBBLN-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-123675
Clc1c(C(=O)O[C@@H](C(=O)Nc2sc3CCCCCc3c2C#N)C)cc(N)cc1	PC-id_52885881	417.909	BTAXLCOMEUBBLN-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123676
N#Cc1c(NC(=O)CN2C(=O)[C@H]3CC(=CC[C@H]3C2=O)Cl)sc2c1CCCCC2	ZINC22_100575558,CoCoCo_203636,PC-id_1900845	417.909	RYECMPYBDOLJHA-KGLIPLIRSA-N	00000010100011000100000000000110000000000000000000000000	31-01-123677
N#Cc1c(NC(=O)CN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)sc2c1CCCCC2	PC-id_1900843,ZINC22_100575559,CoCoCo_203635	417.909	RYECMPYBDOLJHA-KBPBESRZSA-N	00000010100011000100000000000110000000000000000000000000	31-01-123678
N#Cc1c(NC(=O)CN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)sc2c1CCCCC2	ZINC22_100575560,PC-id_1900844,CoCoCo_203638	417.909	RYECMPYBDOLJHA-ZIAGYGMSSA-N	00000010100011000100000000000110000000000000000000000000	31-01-123679
N#Cc1c(NC(=O)CN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)sc2c1CCCCC2	ZINC22_2275614,PC-id_7007163,CoCoCo_203637	417.909	RYECMPYBDOLJHA-UONOGXRCSA-N	00000010100011000100000000000110000000000000000000000000	31-01-123680
Clc1cc(NC(=O)CC2SC(=NC2=O)Cc2n3CCCCCc3nn2)ccc1	PC-id_78678608	417.912	JQHIBLFLUPCRFZ-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-123681
Clc1cc(NC(=O)C[C@H]2SC(=NC2=O)Cc2n3CCCCCc3nn2)ccc1	PC-id_8375461	417.912	JQHIBLFLUPCRFZ-CQSZACIVSA-N	00000011100000110101000000000010000000000000000000000000	31-01-123682
Clc1cc(NC(=O)C[C@@H]2SC(=NC2=O)Cc2n3CCCCCc3nn2)ccc1	PC-id_8375467	417.912	JQHIBLFLUPCRFZ-AWEZNQCLSA-N	00000011100000110101000000000010000000000000000000000000	31-01-123683
Clc1c(NC(=O)CC2SC(=NC2=O)Cc2n3CCCCCc3nn2)cccc1	PC-id_78678621	417.912	LHLATDIBYDGEQQ-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-123684
Clc1c(NC(=O)C[C@H]2SC(=NC2=O)Cc2n3CCCCCc3nn2)cccc1	PC-id_8375499	417.912	LHLATDIBYDGEQQ-CQSZACIVSA-N	00000011100000110101000000000010000000000000000000000000	31-01-123685
Clc1c(NC(=O)C[C@@H]2SC(=NC2=O)Cc2n3CCCCCc3nn2)cccc1	PC-id_8375505	417.912	LHLATDIBYDGEQQ-AWEZNQCLSA-N	00000011100000110101000000000010000000000000000000000000	31-01-123686
Clc1cc(n2c(SCC(=O)NCc3n4CCCCCc4nn3)nnc2)ccc1	PC-id_24676744	417.916	HAIFKJQXIJKCQQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123687
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(cc3)Cl)CCn12	PC-id_45191596,EMOLS-id_20491583,MCULE-3634009959	417.932	GBVNAJOUSNNIMU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123688
Clc1ccc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cc1	PC-id_4143276	417.949	MOXJFQLIXWITMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123708
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccccc3Cl)CCn12	PC-id_45929922,EMOLS-id_232724048,MCULE-6948582744	417.932	SNQQOKBEIDPPQY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123689
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3cccc(Cl)c3)CCn12	PC-id_45212176,EMOLS-id_20581331,MCULE-3002752174	417.932	FPRCEHMXBVMXQV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123690
C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccccc1Cl)CC2	ZINC22_20599090	417.932	SNQQOKBEIDPPQY-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123691
C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccccc1Cl)CC2	ZINC22_20599091	417.932	SNQQOKBEIDPPQY-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123692
C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2	CoCoCo_1390407,ZINC22_12029701,CoCoCo_1390406	417.932	FPRCEHMXBVMXQV-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123693
C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2	CoCoCo_1390409,ZINC22_12029704,CoCoCo_1390408	417.932	FPRCEHMXBVMXQV-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123694
C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2	ZINC22_20599140,CoCoCo_1259088,CoCoCo_1259087	417.932	GBVNAJOUSNNIMU-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123695
C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2	ZINC22_20599141,CoCoCo_1259090,CoCoCo_1259089	417.932	GBVNAJOUSNNIMU-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123696
Clc1ccccc1CN1CCc2nnc(CCNC(=O)C3CCOCC3)n2CC1	MCULE-3613208220,ZINC22_20998467,CoCoCo_1353787,PC-id_29257887,CoCoCo_1353786,EMOLS-id_20556851	417.932	NCJPPCCLOBRXKN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123697
Clc1ccc(CN2CCCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55602868	417.932	FXMJYRHUFBQXQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123698
Clc1cc(C(N2CCCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55658685	417.932	ZSFVUFPYHRPOQL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-123699
Clc1cc(N2CC(CC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)c(cc1)C	PC-id_56394805	417.932	BSTQVWKIVYHPCI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-123700
O=C(CCOc1ccc(Cl)cc1)N1CCN(Cc2nnc3n2CCCCC3)CC1	MCULE-2623324803,ZINC22_46788025,PC-id_47035818,EMOLS-id_31957929	417.932	ULZFYNKAZHFYBO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123701
c1(NC(=O)C=Cc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_3438408,MCULE-2428360887	417.949	ZMDJGPYTIGEFNX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123702
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_4522507,MCULE-7537932373	417.949	KNEUEEUACNKIHI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123703
CCCOC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)Cl)sc2c1CCCCC2	PC-id_92947763,CoCoCo_5886211	417.949	ZMDJGPYTIGEFNX-RAXLEYEMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123704
CCCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCCC2	SPECS-id_AK-968/12116079,TIMTEC597444,EMOLS-id_26780823,PC-id_5826295,CoCoCo_5886210,ZINC22_2739793	417.949	ZMDJGPYTIGEFNX-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123705
CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCCCC2	EMOLS-id_26497131,PC-id_6139650,ZINC22_2739277,SPECS-id_AK-968/12116010,TIMTEC266784,CoCoCo_5816698	417.949	KNEUEEUACNKIHI-BUHFOSPRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123706
CCOC(=O)c1c(NC(=O)/C=Cc2ccccc2Cl)sc2c1CCCCCC2	PC-id_93030345,CoCoCo_5816699	417.949	KNEUEEUACNKIHI-YPKPFQOOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123707
Clc1ccc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cc1	PC-id_6020230	417.949	MOXJFQLIXWITMY-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123709
Clc1ccc(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_4413550	417.949	KSMXHDMSZNIDGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123710
Clc1ccc(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_6103838	417.949	KSMXHDMSZNIDGJ-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123711
Clc1cc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)ccc1	PC-id_4109081	417.949	SRRYXOXHAMRMFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123712
Clc1cc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc1	PC-id_4576364	417.949	RIGXLFMRCANHKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123713
Clc1cc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)ccc1	PC-id_6012020	417.949	SRRYXOXHAMRMFU-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123714
Clc1cc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc1	PC-id_6154495	417.949	RIGXLFMRCANHKA-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123715
Clc1cc(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1	PC-id_3472230	417.949	OJPWEQDHLGIZER-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123716
Clc1cc(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1	PC-id_5836184	417.949	OJPWEQDHLGIZER-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123717
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cccc1	PC-id_3289504	417.949	IVSZCKKHFWUTKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123718
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cccc1	PC-id_4612992	417.949	XQDWNXXNGJFCFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123719
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cccc1	PC-id_5783899	417.949	IVSZCKKHFWUTKB-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123720
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cccc1	PC-id_6164251	417.949	XQDWNXXNGJFCFB-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123721
Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2sc3c(CCCCC3)c2)nc1	PC-id_55930503	417.952	LJTDJMFPEYSDJS-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-123722
CN(NC(=O)c1c(NC(=O)C=Cc2ccccc2Cl)sc2c1CCCCC2)C	PC-id_92046523	417.952	UXLTVQANIOEZAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123723
O=C1CN(c2ccc(NC(=O)c3cc4c(s3)CCCCCC4)cc2Cl)CCN1	ZINC22_84350609,MCULE-5459448683,PC-id_71896620,EMOLS-id_44528668	417.952	VRBHFISAWLVSDV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123724
Clc1ccc(S(=O)(=O)NCCCCc2c3-c(c[14cH]2)ccc(C(C)C)cc3)cc1	PC-id_10409754	417.969	VZDUKQATUJASJL-PPJXEINESA-N	00000010100000110110000000000010000000000000000000000000	31-01-123725
c1(NC(=S)NC(=O)Cc2ccc(cc2)Cl)sc2c(CCCCCC2)c1C#N	ZINC22_2316701,CoCoCo_1740197,TIMTEC109205,EMOLS-id_4457489,PC-id_1933295,MCULE-4389115211,STOCK2S-75987	417.975	CTMKZARNONCIKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123726
Cc1ccsc1CN1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1	EMOLS-id_313792572,ZINC22_2055793368	417.975	VBVZXEDMEJYWMF-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-123727
Clc1ccc(cc1)CCN1CCC(CC1)CNC1NCCCc2c1cc(s2)C	PC-id_141859787	418.038	BWVLOQYMYXSPKQ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-123728
C1COCCN2C1=NN=C2CNCC3=CC=C(S3)C4=CC=CC=C4Br	PC-id_154763344,MCULE-7886131530,EMOLS-id_317261054	418.046	AIBCBEJPWCRUGQ-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-123729
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)C#CCO	PC-id_154682093	418.075	NXPUISBHNZXSNZ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123730
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)C#CCO	PC-id_154682246	418.075	NXPUISBHNZXSNZ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123731
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@H](C#C)O	PC-id_154682276	418.075	ZJZZUEWVYXJGKM-KGLIPLIRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123732
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@@H](C#C)O	PC-id_154682311	418.075	ZJZZUEWVYXJGKM-ZIAGYGMSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123733
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)[C@H](C#C)O	PC-id_155257959	418.075	ZJZZUEWVYXJGKM-KBPBESRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123734
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)[C@@H](C#C)O	PC-id_155257961	418.075	ZJZZUEWVYXJGKM-UONOGXRCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123735
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)C#CCO	PC-id_154682176	418.075	NXPUISBHNZXSNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123736
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)C(C#C)O	PC-id_154682182	418.075	ZJZZUEWVYXJGKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123737
CC1(COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C(C=C)O	PC-id_154682273	418.111	ISCZDVVQXFCACT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123738
C[C@@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)CC=C	PC-id_154682021	418.111	PBEHYCGUXBQMDF-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-123739
CC1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)CC=C	PC-id_154682052	418.111	PBEHYCGUXBQMDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123740
C[C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)CC=C	PC-id_154682293	418.111	PBEHYCGUXBQMDF-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123741
CC(C1(COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C)O	PC-id_154682266	418.111	BIPGNGFQRFMAES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123742
CC(=C)[C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C	PC-id_155062028	418.111	GXJIOKKWTPMQCR-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123743
CC(C=C)(C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682048	418.111	PPNNCCMYUCDTRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123744
CC(C=C)C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155062060	418.111	LEXBJLNTGFTYGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123745
CC(C)(C)NC(=O)N1CC=CCC2=C(N(C=C21)C)C(=O)NC3=CC(=C(C=C3)F)Cl	PC-id_146918912	418.157	ACUFQCMKCWELHS-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-123764
C[C@H](C=C)[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682253	418.111	LEXBJLNTGFTYGY-IAQYHMDHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123746
C[C@@H](C=C)[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682296	418.111	LEXBJLNTGFTYGY-XHDPSFHLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123747
C[C@H](C=C)[C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155257980	418.111	LEXBJLNTGFTYGY-ABAIWWIYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123748
C[C@@H](C=C)[C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155258016	418.111	LEXBJLNTGFTYGY-NHYWBVRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123749
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@H](NS2(=O)=O)C(C=C)O	PC-id_155253507	418.111	CWYHOBKJODIHCJ-AAFJCEBUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123750
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@H](NS2(=O)=O)C(C=C)O	PC-id_155253539	418.111	CWYHOBKJODIHCJ-VYRBHSGPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123751
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@H](NS2(=O)=O)[C@@H](C=C)O	PC-id_154682049	418.111	CWYHOBKJODIHCJ-JKSUJKDBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123752
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@H](NS2(=O)=O)[C@H](C=C)O	PC-id_154682116	418.111	CWYHOBKJODIHCJ-CVEARBPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123753
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@H](NS2(=O)=O)[C@@H](C=C)O	PC-id_154682209	418.111	CWYHOBKJODIHCJ-HZPDHXFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123754
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@H](NS2(=O)=O)[C@H](C=C)O	PC-id_154682221	418.111	CWYHOBKJODIHCJ-HOTGVXAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123755
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CCC(NS2(=O)=O)C(C=C)O	PC-id_154682119	418.111	CWYHOBKJODIHCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123756
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CCC(NS2(=O)=O)(CO)C=C	PC-id_154682047	418.111	LJRZARIUYHWJNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123757
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@](NS2(=O)=O)(CO)C=C	PC-id_155062029	418.111	LJRZARIUYHWJNJ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123758
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@](NS2(=O)=O)(CO)C=C	PC-id_155258026	418.111	LJRZARIUYHWJNJ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-123759
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2=O)C(CC=C)O	PC-id_154682027	418.111	HSQKVQCDAXXKTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123760
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)CCC=C	PC-id_155257998	418.111	ALODYMRMRPVIGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123761
Brc1cc(oc1Br)CNC(c1n2CCCCCc2nn1)C	PC-id_62083789	418.127	IWMNRFZZMNTLQP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-123762
[Se](C1CCCc2n(cc(c2C1=O)C(=O)OCC)B(O)C)c1ccccc1	PC-id_20762198	418.153	IWKHEDWIWRDWDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123763
CC[C@H](C)C1CCC2=C(N(C=C2S(=N)(=O)N1)C)C(=O)NC3=CC(=NC(=C3)F)C#N	PC-id_148866502	418.159	PAIDJHSRUCEHQE-VMVJBKJCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-123765
BrC(c1sc2c(CCCCC2)c1)c1cc(Br)c(F)cc1	PC-id_79743136	418.162	DQQDHECRFGDSQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123766
CC1=C(SC(=N1)N2CCN(CC2)CCCCC3=CNC4=C3C=C(CC=C4)C#N)C#N	PC-id_155073533	418.194	ZIKBRWQOULDVHV-UHFFFAOYSA-N	00000000100010000111100000000010000000000000000000000000	31-01-123767
C/C/1=Cc2[nH]c(nc2/C=C/OC(O1)(F)F)NC(=O)c1csc(c1)Br	PC-id_145689547	418.213	FMWDQIMEKJRASD-AOGGBPEJSA-N	00000000100100000111000000000010000000000000000000000000	31-01-123768
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCCOC(=O)C3=CN=C(O3)C	PC-id_155203758	418.222	SYDKBUZELHAUNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123769
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=C(ON=C3C)C	PC-id_155203593	418.222	NPXCMBUUMYJYEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123770
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCCC(=O)C3CN(C3)C(=O)C	PC-id_155203729	418.258	MRARGLWWHXNJMX-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-123771
Brc1ccc(C(=O)c2n3c(C(CCCC3)C(=O)OC(C)C)cc2C)cc1	PC-id_20484224,SCHEMBL11195597	418.324	UOMYSIRFXGCQMM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123772
Brc1cc(C(=O)c2n3c(C(CCCC3)C(=O)OC(C)C)cc2C)ccc1	SCHEMBL11206782,PC-id_20484002	418.324	LRVZLQJEWSPPGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123773
Brc1ccc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_46534085	418.331	PQPMEPFFICLZFL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123774
Brc1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cccc1	PC-id_46449565	418.331	NMAYAKVCXXFWOL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123775
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOC#P=O	PC-id_141009974	418.337	NTYJCVXUTLVWHF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123776
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(B)cc2)CC	SCHEMBL13480251	418.34	ZYCILXJNTRSKPD-JXAWBTAJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-123777
Brc1ccc2ccn(CCC(=O)Nc3nc4CCCCCc4s3)c2c1	EMOLS-id_323319150,MCULE-3061342073	418.351	DVURCGKWHHFKFM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-123778
Brc1ccc2n(CCC(=O)Nc3nc4CCCCCc4s3)ccc2c1	EMOLS-id_323317092,MCULE-4464270560	418.351	HOWOPBNKLWZVPT-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-123779
FC(C1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)F)C)F	SCHEMBL18352888	418.366	TZLDHSYRZRCTQF-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-123780
C1CN(Cc2cc(nn2C1)C(=O)Nc1ccccc1)C(=O)c1c(cco1)C(F)(F)F	PC-id_137638359	418.369	NIICRADXMMARCB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-123781
Brc1ccc(cc1)c1ccc(s1)C[NH2+]Cc1nnc2n1CCCCC2	GD-id_ZINC41886600	418.374	SYYLOXVOYMOQHK-UHFFFAOYSA-O	00000000100100110101100000000010000000000000000000000000	31-01-123782
c1(NC(=O)c2c(F)c(F)c(c(F)c2F)F)sc2c(CCCCCC2)c1C(=O)N	MCULE-5093773469,GD-id_ZINC02748548,CoCoCo_895955,ZINC22_2748548,EMOLS-id_2195556,PC-id_2165517,TIMTEC148995	418.381	FLWYIKJAQOGBIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123783
COC(=O)C1=CN(CC(c2c1[nH]c(c2)C(=O)OC)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL4095124,PC-id_25121184	418.391	NPVAAZJUIORYOS-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-123784
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCC(=O)O	PC-id_23296767,SCHEMBL8165292	418.397	SZBSAHUQCRUSHV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123785
CCOC(=O)c1c(N)c(c2-c1ccc(cc2)CC(=O)N(C(=O)O)OC)C(=O)OCC	PC-id_53966727,SCHEMBL8165294	418.397	JOTLXNYPMFLSEZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123786
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1nn(Cc2ccccc2)cn1	PC-id_19523786	418.416	YFCAGQKLTOOJQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123787
C1Cn2cc(nc2OCCN1CC(=O)N1CCN(CC1)c1cc(ccc1)F)[N+](=O)[O-]	PC-id_89580188,SCHEMBL14965808	418.422	HUACIZGIYAJENH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-123788
s1c2c(CCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)NC	PC-id_42388431	418.424	GFIXXBVDUSJQDH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123789
s1c2c(CCCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N	PC-id_4383739	418.424	NIPPIOULLRSQCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123790
s1c2c(CCCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1)C(=O)N	PC-id_4145078	418.424	AWWJUBNQEIAVDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123791
O=C(NC1C=CC=c2c(=C1)[nH]c(=O)[nH]2)/C=N/Nc1ccc(cc1CS(=O)(=O)O)N	PC-id_142168427	418.427	RAJIBOMAAJUKLH-UFWORHAWSA-N	00000000100000110111000000000010000000000000000000000000	31-01-123792
s1c2c(CCCCC2)c(c1NC(=O)C1CN(C(=O)C1)CC(F)(F)F)C(=O)OC	PC-id_75889196	418.431	PCNHOGARZDOSCB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-123793
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1CN(C(=O)C1)CC(F)(F)F)C(=O)OC	PC-id_52638569	418.431	PCNHOGARZDOSCB-SNVBAGLBSA-N	00000010100000000100000000000010000000000000000000000000	31-01-123794
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1CN(C(=O)C1)CC(F)(F)F)C(=O)OC	PC-id_52638570	418.431	PCNHOGARZDOSCB-JTQLQIEISA-N	00000010100000000100000000000010000000000000000000000000	31-01-123795
CC(C)Cn1nc2CCN(CCn2c1=O)S(=O)(=O)c1ccccc1C(F)(F)F	MCULE-9659143791,EMOLS-id_55716838	418.434	OECPAJUFTMDLLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123796
N#Cc1c(NC(=O)Cn2c(C(F)(F)F)nc3ccccc23)sc2c1CCCCC2	ZINC22_36740914,MCULE-8956211574,EMOLS-id_34255224,PC-id_45723887	418.435	REDNMANJKGQENL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-123797
CO[C@H]1CN(CC(c2c([C@@H]1OC)n(nn2)C(C)(C)C)(F)F)C(=O)CCC(=O)OC	PC-id_138736981,SCHEMBL21117266	418.436	IBDGBGQYKWMMCK-XHDPSFHLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123798
CCOCONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	PC-id_23296756,SCHEMBL8152070	418.44	LENSXLDAKFHUCK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123799
CCON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)OC	PC-id_53773214,SCHEMBL8152074	418.44	DQCCBRQOJXRGJR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123800
OCCCONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	PC-id_23296764,SCHEMBL8165252	418.44	BKUIUILXJYEHJN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123801
OCCON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)C	SCHEMBL8229733,PC-id_23296714	418.44	RINWSLCCXUUUIP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123802
O(C(=O)c1c2-c(cc1C#CC#Cc1c(c3-c(c1)ccccc3)C(=O)OC)ccccc2)C	PC-id_11144223	418.44	FWXWVKWWGPDFMX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-123803
s1c2CCCCCc2nc1NC(=O)C1CN(C(=O)C1)c1cc([N+](=O)[O-])c(F)cc1	PC-id_55571304	418.442	XBCMDUHPMMLWPK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-123804
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc3c(OCO3)c1)c2)Cc1ccccc1	PC-id_50798050,MCULE-1769002603,EMOLS-id_32846004	418.445	ZFAKCEMXHRHNOJ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-123805
O=C(N1CCN(CC1)C(=O)CN1C(=O)CCC1=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55949456	418.447	RUWAPEQHQBNTSN-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-123806
O=c1n2CCCCCc2nn1CC(=O)Nc1c(cc(Oc2ncccc2C#N)cc1)C	PC-id_55763879	418.448	DEISHEMADLMOHH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123807
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(F)c(F)c(F)cc1	PC-id_26952088	418.454	RDXVLDUDWJVRRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123808
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc2[nH]c(nc2cc1)C(F)F	PC-id_56473167	418.46	SSQBDSNIRRVIFT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-123809
s1c(CN(C(=O)Cn2nc3n(CCCCC3)c2=O)c2c(F)cc(F)cc2)ccc1	PC-id_55887756	418.46	JLTKADKLYPWRFP-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-123810
C1CN(CCc2c1nc(o2)C(=O)NCc1cc(ccc1)F)Cc1cc2c(cc1)[nH]cc2	PC-id_134806556	418.463	GYBAPFPZEKSBOW-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-123811
c1(NC(=O)COc2ccccc2N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_1754916,MCULE-7563104881,EMOLS-id_6780218,TIMTEC321914,ZINC22_4577543,PC-id_3948433	418.463	MWTJBRCXDYHODJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123812
c1(NC(=O)COc2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_8311659,MCULE-1396508075,PC-id_3413437,ZINC22_5710309,CoCoCo_1755031	418.463	KCMFRZPHXBGREN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123813
c1(NC(=O)COc2ccccc2N(=O)=O)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_668755,CoCoCo_6920562,EMOLS-id_5123668,MCULE-4183467200,SPECS-id_AK-968/12571061,PC-id_1008962,TIMTEC316576	418.463	MQUARAONRFRIFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123814
CCOc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c([N+](=O)[O-])c1	EMOLS-id_43703979,PC-id_39882355,CoCoCo_2861455,ZINC22_32638821,MCULE-8885580271	418.463	GDKSOJDXLXWDQD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123815
COc1cc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c(C)cc1[N+](=O)[O-]	PC-id_4883622,EMOLS-id_15238882,MCULE-5683398197,CoCoCo_2861439,ZINC22_5362313	418.463	UPZMUUVHFIRGLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123816
Fc1ccccc1Cc1nc2ccc(cc2o1)C(=O)NCc1n[nH]c2CCCCCc12	CoCoCo_1378369,EMOLS-id_23818718,PC-id_42528705,ZINC22_12316457,MCULE-7046416914,CoCoCo_1378370	418.463	KCZLSLUUWNURGD-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-123817
Fc1ccc(COc2c(OC)cc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_78650320	418.463	VZNHFJCFPYQRJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123818
Fc1ccc(COc2c(OC)cc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_8275319	418.463	VZNHFJCFPYQRJZ-CPNJWEJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123819
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c([N+](=O)[O-])cc(OC)cc1)C	PC-id_78644118	418.463	UWVNDQRSLCVODN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123820
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(OC)ccc([N+](=O)[O-])c1)C	PC-id_16796536	418.463	VSBVTLQYDVCMFI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123821
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(OC)cc([N+](=O)[O-])cc1)C	PC-id_78518121	418.463	KHIWCTGDFBRHTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123822
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c([N+](=O)[O-])cc(OC)cc1)C	PC-id_8254652	418.463	UWVNDQRSLCVODN-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123823
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c([N+](=O)[O-])cc(OC)cc1)C	PC-id_8254656	418.463	UWVNDQRSLCVODN-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123824
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(OC)ccc([N+](=O)[O-])c1)C	PC-id_51910705	418.463	VSBVTLQYDVCMFI-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123825
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(OC)ccc([N+](=O)[O-])c1)C	PC-id_51910706	418.463	VSBVTLQYDVCMFI-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123826
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(OC)cc([N+](=O)[O-])cc1)C	PC-id_7649990	418.463	KHIWCTGDFBRHTI-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123827
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(OC)cc([N+](=O)[O-])cc1)C	PC-id_7649994	418.463	KHIWCTGDFBRHTI-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123828
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1[nH]cc(c1)C(=O)C)C(=O)OC	PC-id_9385608	418.463	LWXYPUQPJFKGAV-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-123829
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)Cn1c(=O)cccc1)C(=O)OC	PC-id_8986951	418.463	NKLBQDVRVJILRR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-123830
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1c(OC)ccc([N+](=O)[O-])c1	PC-id_7618696	418.463	DKBXHGGQJXKTKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123831
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1c(OC)cc([N+](=O)[O-])cc1	PC-id_7618777	418.463	JUYYNHSWNSXARK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123832
c1(NC(=O)CCC(=O)Nc2ccc(c(c2)N(=O)=O)OC)sc2c(CCCCC2)n1	MCULE-4881870608,EMOLS-id_335040386	418.467	JEMWWLUNJVQVDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123833
c1(NC(=O)CCC(=O)Nc2ccc(cc2N(=O)=O)OC)sc2c(CCCCC2)n1	MCULE-9282910639,EMOLS-id_335022989	418.467	SYQXZLNXLJERGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123834
c1(NC(=O)CCC(=O)Nc2c(OC)ccc(c2)N(=O)=O)sc2c(CCCCC2)n1	MCULE-2375433765,EMOLS-id_335049863	418.467	UWQYOAZXUDHIJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123835
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)CNC(=O)c1occc1	PC-id_9163647	418.467	CIQKDUNOBRLVKX-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-123836
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)CN1C(=O)CN(C1=O)C)C)C#N	PC-id_8398855	418.467	IXAHQBMIHSBBAD-NSHDSACASA-N	00000010100000000101000000000010000000000000000000000000	31-01-123837
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)CN1C(=O)CN(C1=O)C)C)C#N	PC-id_8398856	418.467	IXAHQBMIHSBBAD-LLVKDONJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-123838
s1c2CCCCCc2c(c1NC(=O)COC(=O)CN1C(=O)C(NC1=O)(C)C)C#N	PC-id_42967347	418.467	DOOORGQRZCOKEA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-123839
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CN1C(=O)CN(C1=O)C)C)C#N	PC-id_78685751	418.467	IXAHQBMIHSBBAD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-123840
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(ccc(c1)C(=O)OC)C(=O)OC	PC-id_7877424	418.467	ZQLOJDMFOHPANC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123841
s1c2CCCCCc2cc1C(=O)OCC(=O)N(CC(=O)Nc1ccc(F)cc1)C	PC-id_7650012	418.482	XNAHFAWZCAASJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123842
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(F)cc1)C(=O)NC(=O)OCC	PC-id_7597369	418.482	SDBSXIMMGMDOKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123843
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)cc1	PC-id_7618748	418.482	GUYZOCXZTZDJSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123844
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(F)ccc(F)c3)C)CC2)ccc1	PC-id_42322995	418.483	WHXVKEKTUNAQNQ-CYBMUJFWSA-O	00000000100100110101000000000010000000000000000000000000	31-01-123845
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(F)ccc(F)c3)C)CC2)ccc1	PC-id_42323002	418.483	WHXVKEKTUNAQNQ-ZDUSSCGKSA-O	00000000100100110101000000000010000000000000000000000000	31-01-123846
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(F)ccc(F)c3)C)CC2)ccc1	PC-id_74792106	418.483	WHXVKEKTUNAQNQ-UHFFFAOYSA-O	00000000100100110101000000000010000000000000000000000000	31-01-123847
CCCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)C(=O)CCCC2	SCHEMBL684099,PC-id_58153701	418.485	RHXBYFAIKFSIFG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123848
CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc2-c1ccccc2)CC(=O)O)Cc1ccccc1	PC-id_15432214,SCHEMBL8485580	418.485	JBRURMODHIBUML-IRLDBZIGSA-N	00000010100000110110000000000010000000000000000000000000	31-01-123849
O=C(NC(Cc1ccccc1)C(=O)NC)C(Cc1c2-c(cc1)ccccc2)CC(=O)O	PC-id_19606548	418.485	JBRURMODHIBUML-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-123850
O=C(NNC(=O)c1cc2c(s1)CCCCC2)CNC(=O)NCc1ccc(cc1)F	PC-id_34035531,CoCoCo_4518821,MCULE-6227513925,EMOLS-id_24017034	418.485	DRMKFGXTHONZCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123851
COCCn1nc2CCC(CC(=O)NCc3cc(OC)cc(OC)c3)CCn2c1=O	MCULE-1479115841,EMOLS-id_207877361	418.487	CYHZWJMAHQFXIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123852
O=c1n2CCCCCc2nn1CC(=O)NC(c1cc(OC)c(OCCOC)cc1)C	PC-id_55748611	418.487	CIGZTOUJVQCPEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123853
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1OC)c2)Cc1ccc(cc1)C	EMOLS-id_16324664,MCULE-3014766569,PC-id_20964731,CoCoCo_2544540	418.488	JLDOZGRHUYGPTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123854
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OC)c2)Cc1ccc(cc1)C	MCULE-9357104028,CoCoCo_2544532,PC-id_20964730,EMOLS-id_16324662	418.488	IYHVBDOHVRKAAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123855
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1OC)c2)Cc1cccc(C)c1	EMOLS-id_32633152,PC-id_53034572,MCULE-3981404179	418.488	UTKRXONYNAHSMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123856
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OC)c2)Cc1cccc(C)c1	MCULE-9309240501,PC-id_53034559,EMOLS-id_32633112	418.488	CBLOGEJRAKGESK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123857
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1OCC)c2)Cc1ccccc1	EMOLS-id_30600620,PC-id_46347971,MCULE-7834048433	418.488	XXLPOOCZCWLJQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123858
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OCC)c2)Cc1ccccc1	EMOLS-id_32846064,PC-id_50798049,MCULE-3947448406	418.488	FECPGFPMXCMMJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123859
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(OC)c1)c2)Cc1ccc(cc1)C	EMOLS-id_24406120,MCULE-2557812117,PC-id_46347979,CoCoCo_2544541	418.488	XGERJBYKESJLOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123860
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(OC)c1)c2)Cc1cccc(C)c1	PC-id_53034573,EMOLS-id_32633154,MCULE-8726298175	418.488	MOMCCPXSVDYITH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123861
COc1ccc(cc1)C1(CC1)C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	EMOLS-id_168607854,MCULE-7277152113	418.488	WQNGVUCGKFGGRY-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-123862
OC(=O)C(CCCCn1c2C(O)CN=CNc2nc1)(c1ccccc1)c1ccccc1	PC-id_11796284	418.488	UUDCMUKVXIQSLL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-123863
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)(c1ccccc1)c1ccccc1	PC-id_10502132,BindingDB_PC-id_10502132,CHEMBL284799	418.488	SIEPWUZFTVTLIO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-123864
C1Cc2c(C(=O)NC1)sc(n2)NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2	PC-id_90625685	418.49	SCUANGRCLNBMTH-UHFFFAOYSA-N	00000010100010100101000000000010000000000000000000000000	31-01-123865
C=C/C(=C(N=C(OC)/C)/OC)/c1nc(c2n1CCCN(C2)C)C(=O)NCC(=O)NC	PC-id_145538605	418.49	SYMIFWZZNJRXAY-XSBLCSTESA-N	00000000100000000101000000000010000000000000000000000000	31-01-123866
O=C(C1CCn2c(CC1)nn(c2=O)Cc1c(C)noc1C)NCCN1CCOCC1	EMOLS-id_207876773,PC-id_146048476,MCULE-3771251349	418.49	NEZLNTGDBUAYPU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-123867
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3cc4c(cccc4)[nH]3)CCn12	MCULE-4802029645,PC-id_42272868,ZINC22_11909061,EMOLS-id_232727496	418.492	NXAISJSHKDEFHX-UHFFFAOYSA-N	00000000101000100101000001100010000000000000000000000000	31-01-123868
C=CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1	CoCoCo_1486055,ZINC22_19798651,PC-id_28362457,CoCoCo_1486054,MCULE-1766864384,EMOLS-id_20644943	418.492	CBMVSVMDNIOOLF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123869
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccn1	CoCoCo_1288168,CoCoCo_1288170	418.492	VWSPOVXHVPTQEP-PLNGDYQASA-N	00000000100000111101000000000010000000000000000000000000	31-01-123870
COc1ccc(/C=C/CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1	ZINC22_11911271,CoCoCo_1288169,CoCoCo_1288171,EMOLS-id_44852253,PC-id_42275623	418.492	VWSPOVXHVPTQEP-SNAWJCMRSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123871
n12CCN(CCc1nnc2CNC(=O)c1ccccn1)CC=Cc1ccc(cc1)OC	PC-id_74787150,MCULE-5375668802	418.492	VWSPOVXHVPTQEP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123872
O=C(N(Cc1n2CCCCCc2nn1)c1ccc(NC(=O)C)cc1)Nc1ccccc1	PC-id_7566151	418.492	RLQBPOKYLZCLNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123873
Cn1cnc(c1)S(=O)(=O)N1CCc2nc(sc2CC1)C(=O)Nc1ccncc1	EMOLS-id_313792571,ZINC22_1258996441	418.493	SQAJBHDGOXSNTM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-123874
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)c1cc(F)c(F)cc1	PC-id_46413297	418.5	LSRKSMQKIIMYBR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123875
Fc1cc(C[NH+]2CCn3c(nnc3CCNC(=O)C3CCCCC3)CC2)cc(F)c1	PC-id_42418265	418.503	VDJXFZYLJHGVPB-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-123876
COc1ccc(c(c1OC)OC)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2	MCULE-6941909127,PC-id_8140742,EMOLS-id_16781379,CoCoCo_3415958	418.507	YKDAFDSOWBVCOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123877
COc1c(OC)ccc(c1OC)CC(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_17182465,PC-id_9092568,CoCoCo_4198755,MCULE-4298545871	418.507	ZRWGXSNQBTXFPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123878
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1cc(OC)c(OC)c(OC)c1	PC-id_31845828	418.507	DOIWKHNOTXBJNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123879
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC	PC-id_7475065	418.507	ABMGTJDHYADQAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123880
s1c2c(CCCCC2)c(c1NC(=O)Cc1cc(OC)c(OC)c(OC)c1)C(=O)N	PC-id_52894701	418.507	LDHXGXDNARURPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123881
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	PC-id_24643170	418.507	GIQYIJJHMAOTHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123882
s1c2c(CCCCCC2)c(c1NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)N	PC-id_4435832	418.507	OFQJDQROVPDTGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123883
c1(NC(=O)c2ccc(cc2)C(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)N	PC-id_4192885,CoCoCo_5015393,EMOLS-id_4948545,MCULE-2134960632,ZINC22_4134722	418.508	FTQQULVNFUBTOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123884
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCOC)C)CC2)cccc1OC)C	PC-id_42365680	418.51	ZPMMAGVXNQXIAW-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-123885
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)cccc1OC)C	PC-id_42365683	418.51	ZPMMAGVXNQXIAW-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-123886
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCOC)C)CC2)cc(OC)cc1)C	PC-id_42373480	418.51	XXCABKZKMQPFAD-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-123887
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)cc(OC)cc1)C	PC-id_42373483	418.51	XXCABKZKMQPFAD-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-123888
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)cccc1OC)C	PC-id_74799555	418.51	ZPMMAGVXNQXIAW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-123889
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)cc(OC)cc1)C	PC-id_74800479	418.51	XXCABKZKMQPFAD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-123890
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc2n(CCCCC2)c1=O)C(=O)OC	PC-id_55477974	418.51	HGOHTYGVBOWPSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-123891
O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1OCc1cn2ccccc2n1	ZINC22_32885739,PC-id_40120751,MCULE-7725108980,CoCoCo_4546245,EMOLS-id_24012744	418.511	PNAOXHIJKZJHQC-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-123892
s1c2CCCCCc2cc1C(=O)Nc1cc(Cn2nc3n(c2=O)cccc3)ccc1	PC-id_75878591	418.511	OPJRIPURPJYVNL-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-123893
S(c1n2CCCCCc2nn1)Cc1sc(nn1)C(=O)NCc1ccc(F)cc1	PC-id_33285246	418.511	LNAYEOQZIAURSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123894
CS(=O)(=O)N1CCCn2c(C1)ccc2C(=O)N1CCCN(CC1)c1ncccn1	EMOLS-id_317416797,MCULE-9885357657	418.513	AEFGUPPUKMKKKQ-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-123895
s1c(NC(=O)C2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)nc(c1)C	PC-id_55952283	418.513	BYSMQIWWKGAEDA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-123896
S(c1n2CCCCCc2nn1)Cc1nc(N2CCOCC2)ncc1C(=O)OCC	PC-id_52166634	418.513	WMMCMWVJWXZFIG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-123897
Cc1nc(nc(c1)c1ccccc1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135752793	418.515	RNWMNNJQPPEVTG-ZPHPHTNESA-N	00000000100000110101100000000010000000000000000000000000	31-01-123898
O=C(c1ccccc1)NCc1nnc2n1CCN(CC2)Cc1nc2c(s1)cccc2	CoCoCo_1510779,CoCoCo_1510778,PC-id_42397984	418.515	UNMPULNTKUFVPV-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-123899
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1nc(c2ccccc2)cc(n1)C	PC-id_78713387	418.515	HGVOZYQTXABCEI-UHFFFAOYSA-N	00000011000000110111100000000010000000000000000000000000	31-01-123900
S(CC(=O)/C(=C
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s1c2c(CCCCC2)c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])C(=O)OCC	PC-id_74534220	418.526	LSRKKSQGFAMUAG-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-123902
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OCC	PC-id_27525537	418.526	LSRKKSQGFAMUAG-CVEARBPZSA-M	00000000100011000100000000000010000000000000000000000000	31-01-123903
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OCC	PC-id_27525539	418.526	LSRKKSQGFAMUAG-HOTGVXAUSA-M	00000000100011000100000000000010000000000000000000000000	31-01-123904
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OCC	PC-id_27525541	418.526	LSRKKSQGFAMUAG-HZPDHXFCSA-M	00000000100011000100000000000010000000000000000000000000	31-01-123905
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OCC	PC-id_27525543	418.526	LSRKKSQGFAMUAG-JKSUJKDBSA-M	00000000100011000100000000000010000000000000000000000000	31-01-123906
s1c2c(CCCCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_74682861	418.526	INLYLINKPDKDEZ-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-123907
s1c2c(CCCCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_40438167	418.526	INLYLINKPDKDEZ-LSDHHAIUSA-M	00000000100011000100000000000010000000000000000000000000	31-01-123908
s1c2c(CCCCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_40438169	418.526	INLYLINKPDKDEZ-HUUCEWRRSA-M	00000000100011000100000000000010000000000000000000000000	31-01-123909
s1c2c(CCCCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_40438171	418.526	INLYLINKPDKDEZ-GJZGRUSLSA-M	00000000100011000100000000000010000000000000000000000000	31-01-123910
s1c2c(CCCCCCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_40438173	418.526	INLYLINKPDKDEZ-CABCVRRESA-M	00000000100011000100000000000010000000000000000000000000	31-01-123911
c12C(=O)N(CCCn1nc(C(=O)NCCCSCCC)c2)Cc1ccc(cc1)F	PC-id_50797930,MCULE-6576599820,EMOLS-id_32846252	418.528	DFRUEFQCBYDKMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123912
COc1ccc(cc1F)CN1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825152	418.528	NRHUDKABPWBGOG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-123913
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C#N	ZINC22_10219488,CoCoCo_5190193,PC-id_18586251,MCULE-5170363408,EMOLS-id_5625136,ChEMBL-DNDi_CHEMBLF2818-0218	418.53	UZUHDDPLBLZHAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123914
c1(NC(=S)NC(=O)C=Cc2ccco2)sc2c(CCCCCC2)c1C(=O)OC	MCULE-4903500999,PC-id_1948787	418.53	IKDOTMJVQQAMPY-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-123915
c1(NC(=S)NC(=O)/C=Cc2ccco2)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_12417731,MCULE-1427005516,TIMTEC217185,CoCoCo_1958812,EMOLS-id_26818906	418.53	IKDOTMJVQQAMPY-KHPPLWFESA-N	00000000101000000100000000000010000000000000000000000000	31-01-123916
CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)N1CCOCC1	BindingDB_PC-id_121358836,BindingDB-id_731710,SCHEMBL17777904,PC-id_121358836	418.53	XGDBVEFDTFDBEW-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-123917
COC(=O)c1c(NC(=O)c2ccc(s2)NC(=O)C2CC2)sc2c1CCCCC2	PC-id_86998485	418.53	GBZGQWUDOYUNCD-UHFFFAOYSA-N	00100000100100000100000000000010000000000000000000000000	31-01-123918
COC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccco2)sc2c1CCCCCC2	STOCK3S-16837,EMOLS-id_26296299,ZINC22_2334551,PC-id_1948789,CoCoCo_1958813	418.53	IKDOTMJVQQAMPY-ZHACJKMWSA-N	00000000101000000100000000000010000000000000000000000000	31-01-123919
s1c2c(CCC2)c(c1NC(=O)COC(=O)c1sc2CCCCCc2c1)C(=O)N	PC-id_7351981	418.53	FHERDKHIZBOSQL-UHFFFAOYSA-N	00000010100000000100000010000010000000000000000000000000	31-01-123920
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(SCC(=O)N)cccc1	PC-id_8216212	418.53	ITORXLQFARQWAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123921
s1c2c(CCCCC2)c(c1Nc1sc2c(n1)c(OC)cc(OC)c2)C(=O)OC	PC-id_43968698	418.53	ZRUYVECZWLOSCG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-123922
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1sccc1)C(=O)NC(=O)OCC	PC-id_7521923	418.53	XOGVCHAEZBPVDL-ZHACJKMWSA-N	00000000100100000100000000000010000000000000000000000000	31-01-123923
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1sccc1)C(=O)NC(=O)OCC	PC-id_78495733	418.53	XOGVCHAEZBPVDL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-123924
s1c2CCCCCc2c(c1NC(=O)C(Oc1ccc(S(=O)(=O)C)cc1)C)C#N	PC-id_60432268	418.53	YHJGZGQWRSTXTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123925
s1c2c(CCCCC2)c(c1NC(=O)CSc1ccccc1)C(=O)NC(=O)OC	PC-id_7521901	418.53	YMSKQWNFQQVKJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123926
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc2OCOc2cc1)C(=O)OCC	PC-id_20411467	418.53	JCJATLVEVCDOBG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-123927
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)CC(=O)O)C(=O)OC	PC-id_19649128	418.53	JQBNEXSAXBTTKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123928
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)O)C)C(=O)OC	PC-id_19648995	418.53	NDKOPROIQAWFOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123929
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)OC)C(=O)OC	PC-id_20413674	418.53	VVNSLDWZRYNVIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123930
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OC)C(=O)OC	PC-id_20413819	418.53	DGVVYMSUMUSCRA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123931
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cccc1)C(=O)OC)C(=O)OC	PC-id_20415439	418.53	OZAXCCXGERZCBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123932
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)O)C(=O)OCC	PC-id_20413614	418.53	KTLYKQLIXSLNAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123933
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)O)C(=O)OCC	PC-id_20413754	418.53	AVHVUJOZMQEZDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123934
s1c2c(CCCCC2)c(c1NC(=S)NCc1cc2OCOc2cc1)C(=O)OC	PC-id_19649450	418.53	HZYDYUOPWAYQQW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-123935
s1c2c(CCCCC2)c(c1NC(=S)NCc1ccc(cc1)C(=O)O)C(=O)OC	PC-id_19649064	418.53	HSXJWJKPGRVMGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123936
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc2OCOc2cc1)C(=O)OC	PC-id_20411463	418.53	PYURPKAFEMFEGK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-123937
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)O)C(=O)OC	PC-id_20413607	418.53	GGIYJLZFBRNZJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123938
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)O)C(=O)OC	PC-id_20413748	418.53	AOVNYYBIHXRZMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123939
s1c2CCCCCCc2nc1NC(=O)c1oc2c(c1CS(=O)(=O)C)cccc2	PC-id_56387756	418.53	KNIPJYCNNKAQCN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-123940
Cc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCC1)/C(=O)N2	PC-id_145511762	418.531	FNUQXMYAXYSTNS-CYVLTUHYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-123941
Cc1c(cc(cc1)N1CCN(CC1)CCCO)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478269	418.531	ZKXZIBAMMZGSLN-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-123942
CC1=CC(=O)N(C(c2c1ccn2C)C(=O)NC(C)(C)C)CCc1c[nH]c2ccccc12	PC-id_134838510	418.531	WQAYQCWXWZXODS-UHFFFAOYSA-N	00000000100000100110000001100010000000000000000000000000	31-01-123943
CC(C)[C@@H]1COCc2cn(CC[C@H](C(=O)N1)Cc1ccc(cc1)c1ccccc1)nn2	PC-id_134828893	418.531	BLWFYANTYMFCSM-UPVQGACJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123944
CC(C)[C@H]1COCc2cn(CC[C@@H](C(=O)N1)Cc1ccc(cc1)c1ccccc1)nn2	PC-id_134828900	418.531	BLWFYANTYMFCSM-ISKFKSNPSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123945
CC(CN1CCc2nnc(CCc3ccccc3)n2CC1)Cc1ccc2OCOc2c1	MCULE-4175795057,EMOLS-id_20642841,PC-id_45226760	418.531	WTXQTXFLCNYJEU-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-123946
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CCc3ccccc3)n2CC1	CoCoCo_1482915,CoCoCo_1482913,PC-id_28360191,ZINC22_19794994	418.531	WTXQTXFLCNYJEU-IBGZPJMESA-N	00000010100000110101000000001010000000000000000000000000	31-01-123947
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CCc3ccccc3)n2CC1	PC-id_28360189,ZINC22_19794993,CoCoCo_1482914,CoCoCo_1482916	418.531	WTXQTXFLCNYJEU-LJQANCHMSA-N	00000010100000110101000000001010000000000000000000000000	31-01-123948
COc1ccccc1N1CCN(CC1)Cc1cc2n(c1)c(C)ccccc(c(=O)[nH]2)C	PC-id_144508083	418.531	IRFFFDDPSSSWSU-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-123949
N#CC1(CCN(CC1)CCCCn1ccc2c1C(=O)N(C)CCC2=O)c1ccccc1	PC-id_15291637,SCHEMBL9041368	418.531	MTVFXTFGUKTWQG-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-123950
O1C[C@H](NC(=O)[C@H](CCc2n(nnc2)C1)Cc1ccc(cc1)c1ccccc1)C(C)C	PC-id_71759643	418.531	NXOFSRGLZKENNX-VWNXMTODSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123951
O1C[C@H](NC(=O)[C@H](CCn2nnc(C1)c2)Cc1ccc(cc1)c1ccccc1)C(C)C	PC-id_71760769	418.531	BLWFYANTYMFCSM-VWNXMTODSA-N	00000000100000110101100000000010000000000000000000000000	31-01-123952
OCCCN1CCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076644	418.531	ZKXZIBAMMZGSLN-LGUFXXKBSA-N	00000010100010110111100000000010000000000000000000000000	31-01-123953
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c1(NC(=O)Cn2ccc3c(cccc23)NS(=O)(=O)C)sc2c(CCCCC2)n1	EMOLS-id_323350107,MCULE-8429151319	418.533	CEQZTBCFCYUSGJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-123955
c1(NC(=S)NNC(=O)c2ccccn2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4643737292,TIMTEC71916,PC-id_2205004,EMOLS-id_2468738,CoCoCo_989089	418.533	BEAHBBXQQPANBI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-123956
C[C@@H](C(=O)Nc1nc2c(s1)CCCCCC2)N=C1c2ccccc2S(=O)(=O)N1	PC-id_135991387	418.533	CUOIOQVRFPKOPG-LBPRGKRZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-123957
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O=C(NC1CCCCC1)NC1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_56022138	418.533	AMVVCWFQSABLFJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-123961
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1nc(sc1)N1CCCC1=O	PC-id_24554115	418.533	WDGDBRVIJIJPFX-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-123962
s1c2CCCCCc2nc1NC(=O)c1sc2nc(nc(OC)c2c1C)COC	PC-id_55507815	418.533	JTDPZHQIEJYQMH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-123963
s1c2CCCCCCc2nc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	PC-id_60572240	418.533	CPLFRGSMGWDSCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123964
s1c2CCCCCCc2nc1NC(=O)C(NC1=NS(=O)(=O)c2c1cccc2)C	PC-id_76869125	418.533	CUOIOQVRFPKOPG-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-123965
S1(=O)(=O)C[C@@H](N(C(=O)CSc2n3CCCCCc3nn2)c2ccccc2)C=C1	PC-id_7876721	418.533	MHQQJWUPFPIPDA-INIZCTEOSA-N	00000011100000110101000000000010000000000000000000000000	31-01-123966
S1(=O)(=O)C[C@H](N(C(=O)CSc2n3CCCCCc3nn2)c2ccccc2)C=C1	PC-id_7876723	418.533	MHQQJWUPFPIPDA-MRXNPFEDSA-N	00000011100000110101000000000010000000000000000000000000	31-01-123967
S1(=O)(=O)CC(N(C(=O)CSc2n3CCCCCc3nn2)c2ccccc2)C=C1	PC-id_78559215	418.533	MHQQJWUPFPIPDA-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-123968
Cc1cc(C)cc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1	EMOLS-id_20476181,CoCoCo_1237214,ChEMBL-DNDi_CHEMBL23372082,PC-id_28955559,ZINC22_20452321,CoCoCo_1237213,MCULE-1521725789	418.535	XWNABOYXUHXGJM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123969
Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1C	MCULE-2696483210,CoCoCo_1120261,PC-id_30852065,ZINC22_23128693,CoCoCo_1120262,EMOLS-id_20391318	418.535	HDTVWMMNRCPVCD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123970
Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)n1	ZINC22_19771261	418.535	WNUPPTYWQUROJE-LJQANCHMSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123971
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)n1	ZINC22_19771262	418.535	WNUPPTYWQUROJE-IBGZPJMESA-N	00000000100000111101000000000010000000000000000000000000	31-01-123972
Cc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(C)c1	CoCoCo_1270938,EMOLS-id_20499745,CoCoCo_1270939,PC-id_29087723,MCULE-5913231249,ZINC22_20600634	418.535	BRVXGNANAGYNEA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123973
CCc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1	MCULE-1247936039,PC-id_28388815,CoCoCo_1169656,CoCoCo_1169655,EMOLS-id_20427905,ZINC22_19835679	418.535	YKGGNNWOARGCQL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123974
CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1	CoCoCo_1331736,PC-id_29218420,ChEMBL-DNDi_CHEMBL36585166,MCULE-5629662976,EMOLS-id_20541813,ZINC22_20917613,CoCoCo_1331737	418.535	MZIIYQDGIHWUPQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123975
CC(C[C@H](c1nnc2n1CCN(CC2)Cc1ccccc1)NC(=O)c1cccnc1)C	CoCoCo_1149039,CoCoCo_1149038,PC-id_42407072	418.535	HUMSOBDLBBVFEO-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123976
CC(C[C@@H](c1nnc2n1CCN(CC2)Cc1ccccc1)NC(=O)c1cccnc1)C	CoCoCo_1149040,CoCoCo_1149041,PC-id_42407074	418.535	HUMSOBDLBBVFEO-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123977
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3cccc(C)n3)CCn12	MCULE-3933682970,EMOLS-id_232758186,PC-id_45931675,ChEMBL-DNDi_CHEMBL57816690	418.535	WNUPPTYWQUROJE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123978
CN(C)c1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1	CoCoCo_1411735,ZINC22_15003288,MCULE-5299953914,CoCoCo_1411736,EMOLS-id_20595677,PC-id_26359119	418.535	UVYOUCLULXMVIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123979
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1Oc1ccccc1)C	PC-id_109608410	418.535	JZWPBUXFRRVBOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123980
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cc1ccc(n2cccc2)cc1	PC-id_45879554,CoCoCo_4829093	418.535	RVUPYQCPXFYOOM-UHFFFAOYSA-N	00000000110010110101100000000010000000000000000000000000	31-01-123981
O=C(NC(c1n2CCN(CCc2nn1)Cc1ccccc1)CC(C)C)c1cccnc1	PC-id_45173435	418.535	HUMSOBDLBBVFEO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-123982
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(cc1)C	CoCoCo_1731153,MCULE-4139509450,ZINC22_2185822,PC-id_1821439,EMOLS-id_6769080	418.551	TTZDWIHBDPTNOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123983
c1(c2CCCCCc2sc1NC(=O)c1ccccc1C)C(=O)Nc1ccccc1C	ZINC22_2941585,PC-id_2265544,MCULE-8281887165,CoCoCo_1731106,EMOLS-id_2385419	418.551	VLBZPHKWDKPGCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123984
c1(c2CCCCCc2sc1NC(=O)c1ccccc1C)C(=O)Nc1cccc(C)c1	ZINC22_4568498,MCULE-9412457530,TIMTEC36356,EMOLS-id_8221321,SPECS-id_AG-667/13587058,PC-id_3918233,CoCoCo_1731202,CK1684969	418.551	RELHJPPPFFCIQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123985
c1(c2CCCCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1C	MCULE-2904990688,TIMTEC36291,ZINC22_2915998,PC-id_2256991,ChEMBL-DNDi_CHEMBL5672697,CK1638219,SPECS-id_AG-667/11911053,Chemmine_27619,CoCoCo_678835,EMOLS-id_2366983	418.551	YGCLCVQCDFVYHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123986
c1(c2CCCCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccc(cc1)C	SPECS-id_AG-667/11911051,CoCoCo_1731147,PC-id_3390227,EMOLS-id_8221287,TIMTEC36290,MCULE-9365814470,ZINC22_4568494	418.551	GHEQQAWXJZYDJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123987
c1(c2CCCCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C)c1	SPECS-id_AG-667/11911052,ZINC22_4539556,MCULE-8643954929,BAS-00832117,PC-id_3119670,CoCoCo_138068,EMOLS-id_1280384	418.551	CNIRVGDJZYJIJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123988
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCCCC2)c1C(=O)NC	MCULE-2843856325,ZINC22_5055807,PC-id_7475090,EMOLS-id_30135631	418.551	SGTXDSXJNDCUBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123989
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCCCCC2)c1C(=O)N	ChEMBL-DNDi_CHEMBL6101210,PC-id_2164373,ZINC22_2742014,MCULE-1550578235,EMOLS-id_2388437,CoCoCo_739527,TIMTEC498774	418.551	VFZURFUTTOCEMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123990
c1(NC(=O)C(C)(c2ccccc2)c2ccccc2)sc2c(CCCCC2)c1C(=O)N	PC-id_2200537,ZINC22_2845991,CoCoCo_976049,EMOLS-id_1776480,MCULE-1344748724	418.551	OIMNXJXDSZDHRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123991
c1(sc2c(CCCCC2)n1)NC(=O)C(=Cc1ccc(cc1)OCC)c1ccccc1	MCULE-1213588830	418.551	ZZQMVDJWTHMLGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123992
C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	CoCoCo_3324306,PC-id_2490158,ZINC22_3372389	418.551	BKUTZCWQXVMPIT-QGZVFWFLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123993
C[C@H](NC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1	ZINC22_3372386,PC-id_2490161,CoCoCo_3324307	418.551	BKUTZCWQXVMPIT-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123994
CCOc1ccc(/C=C(/C(=O)Nc2nc3CCCCCc3s2)c2ccccc2)cc1	EMOLS-id_334602615	418.551	ZZQMVDJWTHMLGW-HEHNFIMWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-123995
COc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408971417	418.551	OESSJQRIPNAGQV-YZSQISJMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123996
COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1	ZINC22_408964040	418.551	MNPNFDJAMQBQBH-YZSQISJMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123997
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408973479	418.551	SRNZLFIVAZEHOV-YZSQISJMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123998
O=C(c1ccccc1NC(=O)c1cc2c(s1)CCCCC2)NC(c1ccccc1)C	MCULE-8485243470,EMOLS-id_3335181,PC-id_4839601	418.551	BKUTZCWQXVMPIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-123999
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(Cc2ccccc2)cc1)C(=O)NC	PC-id_8481412	418.551	DIAUZZGPJBXTPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124000
s1c2c(CCCCC2)c(c1NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)N	PC-id_3366550	418.551	IDZBEWKHIZIICY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124001
s1c2CCCCCCc2cc1C(=O)Nc1c(c(NC(=O)c2ccccc2)ccc1)C	PC-id_52702491	418.551	AYFZCDPUHUUURE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124002
s1c2CCCCCCCCCCc2c(c1N=CC1C(=O)c2c(C1=O)cccc2)C#N	PC-id_23876804	418.551	YUJNQMJLDPKZOJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-124003
CCCCN(C(=O)c1cc2c(s1)CCCCC2)c1c(N)n(CCC)c(=O)[nH]c1=O	EMOLS-id_3382473,PC-id_4785168,ZINC22_5938535,CHEMBL1872236,ChEMBL-DNDi_CHEMBL1872236,CoCoCo_3330658,MCULE-6241175027	418.553	PIGICWJDWBEQQA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-124004
CN(C)CCN(Cc1ccccc1)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	MCULE-6681737127,EMOLS-id_317417308	418.553	NBRAZBKKDZVNFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124005
N#Cc1c(NC(=O)CCN(CC(=O)N2CCC(CC2)O)C)sc2c1CCCCC2	PC-id_86825516	418.553	AABKLKGMWLXNLF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-124006
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)NC2=[NH+]CCC2)ccc1	PC-id_41252430	418.553	BVULDQLKHFAKSO-UHFFFAOYSA-O	00000011100000110100000000000010000000000000000000000000	31-01-124007
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)N1CCCC1	PC-id_52608626	418.553	SRYNSDRNTZAXMT-UHFFFAOYSA-N	00000010100010000100000000000010000000000000000000000000	31-01-124008
s1c2c(CCCCC2)c(c1NC(=O)CN(Cc1c(n(nc1)CC)C)C)C(=O)OC	PC-id_22194120	418.553	GMXKJMZHGWVLHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124009
s1c2c(CCCCC2)c(c1NC(=O)CN(Cc1c(n(nc1C)C)C)C)C(=O)OC	PC-id_22196536	418.553	ULHILXKIITVREQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124010
s1c2c(CCCCC2)c(c1NC(=O)CN(Cc1cn(nc1)CC)C)C(=O)OCC	PC-id_17277668	418.553	GDEXENIDQHKMBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124011
s1c2c(CCCCC2)c(c1NC(=O)CN(Cc1c(nn(c1)C)C)C)C(=O)OCC	PC-id_22196341	418.553	PTSNRCFISQGMRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124012
s1c2c(CCCCC2)c(c1NC(=O)CN(Cc1c(n(nc1)C)C)C)C(=O)OCC	PC-id_22196489	418.553	DHEIKTQDJZUUPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124013
s1c2CCCCCCc2cc1C(=O)N(c1c(n(CCCC)c(=O)[nH]c1=O)N)CC	PC-id_52205640	418.553	HQNBWEWEHYEPLP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-124014
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCCc1onc(n1)C(C)(C)C	PC-id_55678542	418.553	QFGDAUHYGVLLLG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124015
s1c2c(CCCCCC2)c(c1NC(=O)CN(Cc1cn(nc1)CC)C)C(=O)OC	PC-id_22194234	418.553	IBTUHLGQMLOGIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124016
s1c2c(CCCCCC2)c(c1NC(=O)CN(Cc1c(nn(c1)C)C)C)C(=O)OC	PC-id_22196243	418.553	SIQIOLSIWMLTBM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124017
s1c2c(CCCCCC2)c(c1NC(=O)CN(Cc1c(n(nc1)C)C)C)C(=O)OC	PC-id_22196391	418.553	HVSHOYAYGYIJPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124018
S(c1n2CCCCCc2nn1)CC(=O)N(Cc1cc(OC)c(OCC)cc1)CC	PC-id_8379220	418.553	HYDQEMLBQDQVLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124019
S(c1n2CCCCCc2nn1)CC(=O)NCCc1cc(OCC)c(OCC)cc1	PC-id_7876968	418.553	VTKGTYWHPFOLFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124020
Cc1cccc(c1)C[N@H+]1CCc2n(CC1)c(nn2)[C@H](NC(=O)CCc1ccccc1)C	GD-id_ZINC12000078,PC-id_42345110	418.554	MTTDZHVUJKFOJC-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124021
CC(Cc1ccc(cc1)C[N@H+]1CCc2n(CC1)c(nn2)CNC(=O)c1ccccc1)C	GD-id_ZINC12035697	418.554	PGEAUSGMELZTFN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124022
CC(C(=O)NCCc1nnc2n1CC[N@H+](CC2)Cc1ccc(cc1)c1ccccc1)C	GD-id_ZINC14992636	418.554	SGVNGIVGLROXGB-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-124023
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)C(C)C	PC-id_74801015	418.554	ZBPXDNJXLPENPB-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-124024
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)C)c1c(cccc1)C	PC-id_74843796	418.554	JUTGIKDGHRYUHP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124025
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)Cc1ccccc1	PC-id_42246949	418.554	LEPSZIRBVAVQJQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124026
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)CCc1ccccc1	PC-id_74784806	418.554	MICGVKJMPMJJPE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124027
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)C)C)CCc1ccccc1	PC-id_74844962	418.554	MTTDZHVUJKFOJC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124028
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)c1c(cc(cc1)C)C	PC-id_42191747	418.554	MURMDZKBIYTIAG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124029
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)C(C)C	PC-id_42406224	418.554	ZBPXDNJXLPENPB-IBGZPJMESA-O	00000000100000110101100000000010000000000000000000000000	31-01-124030
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)C(C)C	PC-id_42406226	418.554	ZBPXDNJXLPENPB-LJQANCHMSA-O	00000000100000110101100000000010000000000000000000000000	31-01-124031
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)C)c1c(cccc1)C	PC-id_42330718	418.554	JUTGIKDGHRYUHP-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124032
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)C)c1c(cccc1)C	PC-id_42330723	418.554	JUTGIKDGHRYUHP-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124033
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)CCc1ccccc1	PC-id_42239083	418.554	MICGVKJMPMJJPE-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124034
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)CCc1ccccc1	PC-id_42239084	418.554	MICGVKJMPMJJPE-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124035
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)C)C)CCc1ccccc1	PC-id_42345112	418.554	MTTDZHVUJKFOJC-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124036
CCNC(=NCc1ccc(c(c1)C)S(=O)(=O)C)NCc1nnc2n1CCCCC2	PC-id_109752419	418.556	BIFGZXGHYVPHQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124037
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccc(cc1)S(=O)(=O)C	PC-id_111614627	418.556	SZHIOVAOXNBYOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124038
CN=C(NCc1ccc(c(c1)C)S(=O)(=O)C)NCCc1nnc2n1CCCCC2	PC-id_109752449	418.556	IOFYHUPBMLPVEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124039
O=C(Nc1nc2c(s1)CCCCC2)Cc1csc(n1)NC(=O)c1cccs1	PC-id_112807874	418.556	ZUTNILAVFJVHKO-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-124040
O(CCCCCCc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2)Cc1ccccc1	PC-id_10319876	418.568	KMNBTWLKVIJVCM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-124041
O(CCCCCCc1c2-c(c(c1)C(=O)OC)cc(C(C)C)ccc2)Cc1ccccc1	PC-id_10477137	418.568	TVVRWVOWTIPNMS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-124042
c1(NC(=S)Nc2ccc(cc2)OC)sc2c(CCCCCC2)c1C(=O)OCC	ZINC22_5948043,MCULE-2705310307,TIMTEC464531,PC-id_3301613,EMOLS-id_4100624,CoCoCo_6800634	418.573	SZYZLSDNXNSOJY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124043
c1(NC(=S)Nc2cccc(OC)c2)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_3303084,CoCoCo_6800653,ZINC22_5948052,MCULE-2245930026,TIMTEC493197,EMOLS-id_4100620	418.573	UZVHBTLDFULICK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124044
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1	ZINC22_5823869,MCULE-2993366843,CoCoCo_3305318,EMOLS-id_3631738,PC-id_7809146	418.573	HQIFIZHTBJFJJR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124045
O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	EMOLS-id_24000506,MCULE-2315044254,ZINC22_8096315,PC-id_9226916,CoCoCo_3288434	418.573	OCDYMMZSGSLBMB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124046
O=C(c1cc2c(s1)CCCCCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1	MCULE-7676862857,PC-id_9265811,ZINC22_8131366,EMOLS-id_3615418,CoCoCo_3305474	418.573	XXBIPYXGBMUHNF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124047
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(OC)cc1)C(=O)N	PC-id_41086460	418.573	QRSRSUGFZPQHNE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124048
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1ccc(N)cc1)CC)C(=O)OC	PC-id_22777101	418.573	OLMZQYWDTDWIHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124049
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1ccc(N)cc1)C)C(=O)OCC	PC-id_22777104	418.573	YFLBXLUYASPGLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124050
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(N)ccc1)CC)C(=O)OC	PC-id_18894595	418.573	QZNKUTPEVJGUKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124051
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(N)ccc1)C)C(=O)OCC	PC-id_18894530	418.573	UFPSFUHQRMSQAZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124052
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc(OC)cc1)C)C(=O)OCC	PC-id_19678190	418.573	BJXBSQOGTBUFBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124053
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(OCC)cc1)C(=O)OCC	PC-id_20412165	418.573	AIGFIDJAKZSITA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124054
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC)ccc(c1)C)C(=O)OCC	PC-id_20412348	418.573	OXQGQDXWGFRICH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124055
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OCC)cccc1)C(=O)OCC	PC-id_20412205	418.573	FCLSJEXCUMZNCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124056
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(OC)cc1)C)C(=O)OC	PC-id_19675875	418.573	ACTDEIZJIQFZRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124057
s1c2c(CCCCC2)c(c1NC(=S)NCc1ccc(OC)cc1)C(=O)OCC	PC-id_19649530	418.573	GZCNQDNECUFVSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124058
s1c2c(CCCCC2)c(c1NC(=S)NC(c1cc(OC)ccc1)C)C(=O)OC	PC-id_19675790	418.573	LWQCGPNJTBZNTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124059
s1c2c(CCCCC2)c(c1NC(=S)NCc1c(OC)cccc1)C(=O)OCC	PC-id_19649573	418.573	KTOJJXLJCWVWQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124060
s1c2c(CCCCC2)c(c1NC(=S)NCCc1ccc(OC)cc1)C(=O)OC	PC-id_19649947	418.573	DJWJYOSPAJAOBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124061
s1c2c(CCCCC2)c(c1NC(=S)NCCc1c(OC)cccc1)C(=O)OC	PC-id_19649719	418.573	DTFRFOKUBHAWAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124062
s1c2CCCCCCc2cc1C(=O)Nc1ccc(CS(=O)(=O)NCC=C)cc1	PC-id_56420820	418.573	GXGKLLWJQMYYTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124063
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1ncccc1)C(=O)OCC	PC-id_24001243	418.573	GCLLPIDWGAACFP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-124064
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1ccc(N)cc1)C)C(=O)OC	PC-id_22777100	418.573	UJEHRULPYFCIEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124065
s1c2c(CCCCCC2)c(c1NC(=O)CSc1ccc(N)cc1)C(=O)OCC	PC-id_22777103	418.573	OFQBACUIDSGTEQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124066
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(N)ccc1)C)C(=O)OC	PC-id_18894531	418.573	BWDOIEOCXJRWAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124067
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(N)ccc1)C(=O)OCC	PC-id_18894565	418.573	QNFIBOINCQNHPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124068
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc(OC)cc1)C)C(=O)OC	PC-id_19678183	418.573	SUQYEAIQRKYXKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124069
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(OCC)cc1)C(=O)OC	PC-id_20412160	418.573	KRJFGNKKOQLKHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124070
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC)ccc(c1)C)C(=O)OC	PC-id_20412341	418.573	TWDFJFKFCILLJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124071
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC)cccc1)C(=O)OCC	PC-id_20411202	418.573	JXZVZBHOUYRYAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124072
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OCC)cccc1)C(=O)OC	PC-id_20412198	418.573	GRBLSSBDHSYGKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124073
s1c2c(CCCCCC2)c(c1NC(=S)NCc1ccc(OC)cc1)C(=O)OC	PC-id_19649527	418.573	QKKNMXGSQRXHGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124074
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(OC)cccc1)C(=O)OC	PC-id_19649566	418.573	OZWSUKIIBUBGTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124075
S(=O)(=O)(N1CCCCC1)c1ccc(NC(=O)c2sc3CCCCCc3c2)cc1	PC-id_7926337	418.573	DXNPVNCEDNYPFI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-124076
S(=O)(=O)(N1CCCCC1)c1cc(NC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_7926236	418.573	LREUXMZXROTXKY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-124077
S(=O)(=O)(NC1CC1)c1ccc(cc1)CNC(=O)c1sc2CCCCCCc2c1	PC-id_52685856	418.573	HHFWLZKTWXJEHV-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-124078
CCNC(=NCc1ccc(cc1CSC)F)NCCc1nnc2n1CCCCC2	PC-id_109597778	418.574	WXHOBQHBVCOKDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124079
CCNC(=NCCCSc1ccc(cc1)F)NCCc1nnc2n1CCCCC2	PC-id_111311484	418.574	XRGIMFXKHREVKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124080
CN=C(NCCCc1nnc2n1CCCCC2)NCCCSc1ccc(cc1)F	PC-id_111311540	418.574	UNHWSZXYONWMMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124081
CSCc1cc(F)ccc1CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109598198	418.574	QMRGFCGNNGSQBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124082
s1c2CCCCCc2c(c1NC(=O)C(Sc1ccccc1)c1ccccc1)C#N	PC-id_5056228	418.574	MIJDJGKREDVIKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124083
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)C3CCCCC3)CCn12	ChEMBL-DNDi_CHEMBL13757496,PC-id_45174019,MCULE-7192101411,EMOLS-id_20415568	418.576	NGGKGPYUWQDKNK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124084
c1(NC(=S)Nc2nc(C)cc(C)n2)sc2c(CCCCCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL7822319,PC-id_2210623,ZINC22_2857357,MCULE-2374149883,EMOLS-id_2003899,CoCoCo_999767,TIMTEC368604,Chemmine_19097	418.576	OWYNQEMDTYKADH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-124085
CCc1ccc(s1)C(=O)N[C@@H]1CCN(C1)C(=O)c1nc2c(s1)CCN(CC2)C	PC-id_145481243	418.576	FQRMPAYLRCXENT-CYBMUJFWSA-N	00000010100100000101000000000010000000000000000000000000	31-01-124086
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)C1CCCCC1)CC2	CoCoCo_1152665,ZINC22_12154961	418.576	NGGKGPYUWQDKNK-GOSISDBHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124087
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)C1CCCCC1)CC2	ZINC22_12154966,CoCoCo_1152666	418.576	NGGKGPYUWQDKNK-SFHVURJKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124088
CCNC(=NCc1nnc2n1CCCCC2)N1CCC(CC1)OCC1CCCCO1	PC-id_109447055	418.576	DWJNBZHUCLULLD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124089
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCC(CC1)C(=O)OCC	PC-id_112077948	418.576	NMHNAKWWZDCEBB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124090
CN=C(N1CCC(CC1)OCC1CCCCO1)NCCc1nnc2n1CCCCC2	PC-id_109450105	418.576	BMCAPSWBAIITLL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124091
CN=C(N1CCC(CC1)OCC1CCCO1)NCCCc1nnc2n1CCCCC2	PC-id_112086811	418.576	LXNPGLFKONWIKO-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-124092
Brc1cc(C2N(CCC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55888823	419.316	RJIWLAHXDVHZTF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-124169
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1c(nc(SC)nc1C)C	PC-id_9163652	418.576	RXDHCURNFQEPCV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-124093
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)CC(=O)NC	PC-id_112077126	418.579	VBPATLBARSNEHS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124094
CN=C(N1CCN(CC1)CC(=O)NC(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111366735	418.579	JVGIDDVFGRDOSJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124095
c12N(CCCCc1cc(C(=O)N(C)CCc1c(C)nn(CC)c1C)s2)CCOC	EMOLS-id_97020681,MCULE-5445334639	418.596	HRMKFLWSPGWIHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124096
c12N(CCCCc1cc(C(=O)N(C)CCCc1c(C)nn(C)c1C)s2)CCOC	EMOLS-id_97024119,MCULE-8870259860	418.596	BBYFCTLAJCLAGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124097
c1(CN(CC)C(=O)c2cc3c(N(CCCC3)CCOC)s2)c(C)nn(CC)c1C	MCULE-6482576662,EMOLS-id_97022911	418.596	RTKPHRZUWJWKQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124098
c1(NC(=O)CCC(=O)N2CCC(CC2)N2CCCCC2)sc2c(CCCCC2)n1	MCULE-7275820914,EMOLS-id_334763286	418.596	JEAZTAQMADNAAD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-124099
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(C2SCCS2)cc1	PC-id_26778400	418.596	AJIHZGANOMUHLZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-124100
C=Cc1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1ccc2-c1c(C)ccc(c2)C(C)C	PC-id_145728674	418.612	HIQFTQSBEWRTOD-JQIJEIRASA-N	00000010100000000110000000000010000000000000000000000000	31-01-124101
CCCc1cc2-c(c(cc2C=C)C=Cc2c3-c(cc(ccc3C)CCC)cc2)c(cc1)C	PC-id_91403733	418.612	ZPSKRZKTGZXYEH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-124102
C/C=CC(=C/c1cc2=CCC=C(C=c2n1C(=CC/C=C(/NC)C)C=C)N(C)C)N(C)C	PC-id_143110307	418.617	DEPHNOOAXGJACC-FVWSPCEZSA-N	00000000100000000110000000000010000000000000000000000000	31-01-124103
CCNC(=NCC1CCCOC1C(C)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111623716	418.619	OYHSTRLJDXWADD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124104
CCOC(C1CCCC1)CCNC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_112075432	418.619	RMUDTEICDUXAOU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-124105
CCOCCC1(CCCC1)CN=C(NCC)NCCCc1nnc2n1CCCCC2	PC-id_109781062	418.619	MDXDKCGHPCUSDN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-124106
CSc1nnc(CCCNC(=O)c2cc3c(s2)CCCCC3)n1C1CCCC1	PC-id_8202435,ZINC22_7071918,EMOLS-id_11873716,MCULE-8640538870,CoCoCo_4048152	418.619	HZWMUSPSRSPKHA-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-124107
s1c2c(CCCCCCCCCC2)c(C(=O)N2CCCC2)c1NC(=O)CC(C)C	PC-id_23966451	418.636	OAKZHBLHDFBANW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-124108
CN1CCCC2=C(C1)SC(=CC=Cc1[n+](c3c(s1)C[N+](CCC3)(C)C)C)N2C	SCHEMBL6148328,PC-id_87910386	418.662	MQWUPOZYUCTSBW-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-124109
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccnn1Cc1ccc(Cl)c(F)c1	MCULE-2645612931,PC-id_138999160,ZINC22_1338741086,EMOLS-id_320367119	418.853	BKALYCVBOJMREM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124110
Clc1c(cc(NC(=O)C(Sc2n3CCCCCc3nn2)C)cc1)C(F)(F)F	PC-id_24371222	418.864	BSBWPFPIMFOJHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124111
O=C(c1ccco1)N[C@H](c1nnc2n1CC[N@@H+](CC2)Cc1c(F)cccc1Cl)C	GD-id_ZINC11978633	418.872	FJGCMKLSCNLAOW-ZDUSSCGKSA-O	00000000101000110101000000000010000000000000000000000000	31-01-124112
c1(C(=Cc2ccc(cc2)OC(=O)c2ccccc2Cl)C#N)nnc2CCCCCn12	EMOLS-id_26164252,PC-id_4062988,MCULE-2673437737	418.876	XBVQVLUHUHLUOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124113
Clc1ccccc1C(=O)Oc1ccc(/C=C(C#N)/c2nnc3CCCCCn23)cc1	PC-id_6000891,EMOLS-id_45972704,CoCoCo_3724059	418.876	XBVQVLUHUHLUOT-SAPNQHFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-124114
Clc1c(C(=O)Oc2ccc(/C=C(c3n4CCCCCc4nn3)/C#N)cc2)cccc1	CoCoCo_3724060,PC-id_75408612	418.876	XBVQVLUHUHLUOT-VKAVYKQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-124115
Clc1cc([N+](=O)[O-])c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_43040479	418.877	APDZGDSVRJEPCC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124116
Clc1c(N2CCNC(=O)C2)ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c1	PC-id_55763641	418.877	RIRPUNCJZYXSRG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-124117
Clc1ccc(OCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_3975721	418.894	PGCAEIXSNBXLSC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124118
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)c(OC)cc1	PC-id_45637022	418.894	JYGQKVWUHIZCQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124119
Clc1cc(OCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc1	PC-id_41073052	418.894	DDACRMYGEIYBFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124120
N#Cc1c(NC(=O)COC(=O)COc2ccccc2Cl)sc2c1CCCCC2	MCULE-9125060721,PC-id_2364553,CoCoCo_2988998,ZINC22_3247273,EMOLS-id_3102987	418.894	YGYKHMKNHNUEJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124121
Clc1n(nc(c1C(=O)Nc1sc2CCCCCc2n1)C)Cc1ccc(F)cc1	PC-id_46699279	418.915	NYCVGNZPAKZXJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124122
c12C(=O)N(CCCn1nc(C(=O)NCCCOC(C)C)c2)Cc1ccc(cc1)Cl	CoCoCo_2544634,PC-id_20964798,MCULE-9725549427,EMOLS-id_16324808	418.917	OEIOKFBAZTXSJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124123
Clc1cc(C2(CCOCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56012077	418.917	QFJUUNJQMZNZEL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-124124
Clc1ccc(C2(CCOCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56028171	418.917	HJFWWYXONKINFQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-124125
c1(C(=O)Nc2ccc3c(ccn3Cc3ccc(cc3)Cl)c2)c2CCCCCc2[nH]n1	EMOLS-id_323251381,MCULE-8539249877	418.919	FUKIFFQFERCYJI-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-124126
CCN1NCCNc2c(C1=O)n(Cc1ccc(c(c1)Cl)O)c(n2)NC1CCCC1	PC-id_142218529	418.92	DFVCFSTTWARDCT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124127
Clc1ccc(c2[nH]ncc2CN2CCn3c(nnc3Cc3ccccc3)CC2)cc1	CoCoCo_1497201,PC-id_28407008,CoCoCo_1497202,CoCoCo_1497200,CoCoCo_1497203	418.922	WYKVNGCUZSPEBW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124128
Clc1ccc(n2c(CN3CCn4c(nnc4Cc4ccccc4)CC3)ccc2)nc1	PC-id_42398427,ChEMBL-DNDi_CHEMBL71748637	418.922	ATRBSUDLTWXATI-UHFFFAOYSA-N	00000000110000111101100000000010000000000000000000000000	31-01-124129
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Cl)C(=O)N1CCOCC1	MCULE-9770893730,EMOLS-id_1230887,ZINC22_1188834,CoCoCo_81711,SCHEMBL4323094,PC-id_1350866,BAS-00486686	418.937	XEMWENRMGJQSDP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124130
Clc1cc2[nH]c(nc2cc1)[C@H](NC(=O)c1sc2c(CCN(CC2)C)c1)[C@H](O)C	PC-id_25196985	418.94	VDRQNPPXCSRSEP-ADLMAVQZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-124131
Clc1cc2[nH]c(nc2cc1)[C@@H](NC(=O)c1sc2c(CCN(CC2)C)c1)COC	SCHEMBL8126260,PC-id_25052626	418.94	HFQIJRNFDNIGFY-INIZCTEOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-124132
Clc1cc2[nH]c(nc2cc1)C(NC(=O)c1sc2c(CCN(CC2)C)c1)C(O)C	PC-id_74406415	418.94	VDRQNPPXCSRSEP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-124133
Clc1cc2[nH]c(nc2cc1)C(NC(=O)c1sc2c(CCN(CC2)C)c1)COC	PC-id_74421232	418.94	HFQIJRNFDNIGFY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-124134
Clc1ccc(cc1)C(=O)N1CCCCC(=C1O)Sc1nnc2n1CCCCC2	CoCoCo_3082103	418.94	BZXKJSWUSQXZCF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-124135
Clc1ccc(cc1)C(=O)N1CCCCC(C1=O)Sc1nnc2n1CCCCC2	MCULE-3810723041,PC-id_16291025,EMOLS-id_11707829	418.94	BXYQAJHGPUWXTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124136
Clc1cccc(c1)NC(=O)N1CCc2c(CC1)nc(s2)C(=O)N1CCCCC1	PC-id_97442529	418.94	VJVHLAHKXLQWOD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124137
Clc1ccc(NC(=O)c2nc3CCN(CC(=O)N4CCCC4)CCc3s2)cc1	ZINC22_2055793402,EMOLS-id_313793596	418.94	XTCYAPBVHLFBFO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124138
O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nnc3n2CCCCC3)C1=O	PC-id_7877339,CoCoCo_3082101,ZINC22_6098059	418.94	BXYQAJHGPUWXTF-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124139
O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nnc3n2CCCCC3)C1=O	ZINC22_6098061,PC-id_7877341,CoCoCo_3082102	418.94	BXYQAJHGPUWXTF-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124140
O=C(C1CCOCC1)N[C@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(cc1)Cl)C	GD-id_ZINC20599141	418.94	GBVNAJOUSNNIMU-HNNXBMFYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-124141
Clc1ccc(c2n(CC(=O)Nc3sc4CCCCCc4n3)c([S-])nn2)cc1	PC-id_51513586	418.943	HPHBIXACVAOHEG-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-124142
CCC(C1(O)CCCCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)(C)C)C(=O)O	PC-id_67434647,SCHEMBL2511544	418.957	GOYZOHXNYZLNPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124143
CCOC(=O)CC1(O)CCCCc2c1n(Cc1ccc(cc1)Cl)c(n2)C(C)(C)C	SCHEMBL12199284,PC-id_58460200	418.957	SCJSYNREOPDPGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124144
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)c(Cl)c2c(cccc2)s1	PC-id_7475078,EMOLS-id_5523547,MCULE-6232987372,CoCoCo_5058681,ZINC22_5055790	418.96	WXZKVMMRSZROPZ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-124145
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)c(Cl)c2c(cc(cc2)C)s1	CoCoCo_894962,MCULE-4834603448,SPECS-id_AK-968/12573153,TIMTEC446984,PC-id_2164982,ZINC22_2745736,EMOLS-id_2194962	418.96	SGIKBVOTYGBTGB-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-124146
c1(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)c(Cl)c2c(cccc2)s1	MCULE-9340503927,EMOLS-id_4101000,CoCoCo_5820417,TIMTEC518692,ZINC22_2085632,PC-id_1744007,SPECS-id_AK-968/12714044	418.96	WCEVRWGOCXOOFT-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-124147
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc(cc1Cl)OC	PC-id_109788088	418.963	ZVWVEXXOKPIBEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124148
CCNC(=NCC(Oc1ccc(cc1)Cl)C)NCCc1nnc2n1CCCCC2	PC-id_111680246	418.963	TXGWSSZMJVDPOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124149
Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1cc2c(s1)CCCCC2	ZINC22_9460200,PC-id_16377200,MCULE-6691223655,CoCoCo_3199214,EMOLS-id_11834803	418.963	NGUSYWYUYZVKGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124150
CN=C(NCCc1ccc(cc1Cl)OC)NCCCc1nnc2n1CCCCC2	PC-id_109787492	418.963	XTEUTIBCYSZRKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124151
CN=C(N(CCOc1ccc(cc1)Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111308592	418.963	ZAJYQINECHAXEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124152
CN=C(N(CCOc1cccc(c1)Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111419215	418.963	CZRDDMUCBLPODA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124153
CN=C(NCC(Oc1ccc(cc1)Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111680592	418.963	SCMXOLSVJCKIJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124154
c1(NC(=O)c2nn(cc2Cl)CC)sc2c(CCCCCCCCCC2)c1C#N	SPECS-id_AK-968/41924651,ZINC22_2113090,CoCoCo_6927437,TIMTEC329538,EMOLS-id_4101026,PC-id_1768016,MCULE-2805297013	418.983	NFDGZRQDTVPKBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124155
CCC1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F	PC-id_154682083	419.093	KHCGUBDCNTXDRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124156
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)CCC(NS2=O)CO	PC-id_154682115	419.093	DQWIWZJEFBXOIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124157
CC(C)N(C(=O)CCC(C1=C/C/2=C(/C/C(=C(C/C=C2/S1)/OC)/OC)F)(F)F)O	PC-id_164708071	419.138	MCXZKDOPTMDQEC-ZISBPYNMSA-N	00000000100000000110000000000010000000000000000000000000	31-01-124158
CC(C)C[C@H]1CCC2=C(N(C=C2S(=N)(=O)N1)C)C(NC3=CC(=C(C=C3)F)C#N)O	PC-id_154991350	419.179	GZUDLZLEDCKTQH-BFKYYYSJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124159
BrC1COC(c2nn(cc2C1=O)Cc1ccc(OC)cc1)C(F)(F)F	SCHEMBL365921,PC-id_66667394	419.193	USQLLYBEBJBCTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124160
CC(C)N1C2=C(C(C(CCCC2)CC3=CC=C(C=C3)C(=O)OC(C)C)(F)P)N=N1	PC-id_155054508	419.214	YEYSRSRJJOVTAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124161
CC(C)n1c2c(C(C(CCCC2)Cc2ccc(cc2)C(=O)OC(C)(C)C)(F)F)nn1	PC-id_164004303	419.238	ULQPQVAXZDYTPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124162
Brc1cc(C(CCCCn2c3c(nc2)NC=NCC3=O)C(=O)O)ccc1	PC-id_10502159	419.272	CUHGVINQXIAWQK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-124163
Brc1cc(C(CCCCn2c3NC=NCC(=O)c3nc2)C(=O)O)ccc1	PC-id_10740756	419.272	SHVUVLGQVZGBGW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-124164
Brc1cn2cc(nc2cc1)CNC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55977548	419.276	MRPRFHBMGGQOMS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-124165
C[C@H](NC(=O)c1ccc(c2cc(Cl)ccc2Cl)o1)c1nnc2n1CCCCC2	CoCoCo_4480659,PC-id_40882893,ZINC22_8946068	419.304	CPLJZDYTJYKGHE-LBPRGKRZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-124166
C[C@@H](NC(=O)c1ccc(c2cc(Cl)ccc2Cl)o1)c1nnc2n1CCCCC2	ZINC22_8946070,CoCoCo_4480658,PC-id_40882894	419.304	CPLJZDYTJYKGHE-GFCCVEGCSA-N	00000000101000110101100000000010000000000000000000000000	31-01-124167
Clc1c(c2oc(C(=O)NC(c3n4CCCCCc4nn3)C)cc2)cc(Cl)cc1	PC-id_17551698,EMOLS-id_11940485,MCULE-8101567587	419.304	CPLJZDYTJYKGHE-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-124168
Brc1cc(C2(NC(=O)Cn3nc4n(CCCCC4)c3=O)CCC2)ccc1	PC-id_55982577	419.316	QHQPULYECXBHFZ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-124170
Brc1ccc(C2N(CCC2)C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55898397	419.316	JVWMYXIMRRGCAN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-124171
COCCNc1c(OC)cc(c(c1N)Br)Cn1ncc2c1C=CCC=C2	PC-id_143079036	419.316	QUSNTGYGLLXAPP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-124172
Brc1cc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cnc1	PC-id_46449562	419.319	ZIIFMGUOWRXCIN-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-124173
Brc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)N)CCCCC2	CoCoCo_899974	419.335	IYCIICDWBRSUSO-FLIBITNWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124174
c1(NC(=O)C=Cc2ccc(Br)cc2)sc2c(CCCCC2)c1C(=O)N	PC-id_2931825,MCULE-6928745254	419.335	IYCIICDWBRSUSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124175
C=CC(=O)NCc1ccc(C(=O)N2CCCc3sc(Br)cc3C2)cc1	ZINC22_2325888927	419.335	PUCJHBDFGVFUKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124176
NC(=O)c1c(NC(=O)/C=C/c2ccc(Br)cc2)sc2c1CCCCC2	ZINC22_1112836,EMOLS-id_25950178,CoCoCo_899973,TIMTEC229630,PC-id_1290964	419.335	IYCIICDWBRSUSO-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124177
Clc1cc(Cl)cc(c1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_24165737,CoCoCo_3538133,MCULE-6617332377,PC-id_25689097	419.346	JGYXRGKOZPQJAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124178
Clc1cc(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)ccc1Cl	PC-id_17493539,CoCoCo_3538114,EMOLS-id_16659409,MCULE-7370145494	419.346	XYEDUGUNCVWBKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124179
Clc1c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1Cl	PC-id_24234771,CoCoCo_3538122,MCULE-7562368094,EMOLS-id_16782567	419.346	ROLCRLUXFHVTRC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124180
Clc1c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cc(Cl)cc1	PC-id_17505242	419.346	KWXWPEHKMURZLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124181
Clc1c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)c(Cl)ccc1	EMOLS-id_16787908,MCULE-9275760716,PC-id_17537190,CoCoCo_3538127	419.346	WNIIYXRVJPKXQP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124182
Clc1n(nc(c1CNCCc1n2CCCCCc2nn1)C)c1cc(Cl)ccc1	PC-id_56132480	419.351	YXIMIERDWZKSMJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124183
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccccc1Br)C	PC-id_111276073	419.362	ORTMMTQJEDFLKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124184
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)Br)C	PC-id_111293125	419.362	AZAKUOWLKZQGHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124185
COC(=O)c1c2-c(c(c1NC(=O)C)C(=O)OC)ccc(cc2)C(C(C)C)(P=O)O	PC-id_141580609	419.365	AAMBBYNLIWIRQS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-124186
c1(NC(=O)c2c(F)c(F)c(c(F)c2F)F)sc2c(CCCCC2)c1C(=O)OC	PD013393,EMOLS-id_2095541,SPECS-id_AK-968/11845359,PC-id_1740847,ZINC22_2081527,ChEMBL-DNDi_CHEMBLMMV461553,CoCoCo_6787810,TIMTEC64384,MCULE-7310341526	419.366	AVRWEULSKHQETA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124187
C1CN(CCc2c1c(nn2Cc1ccccc1)OS(=O)(=O)C(F)(F)F)C(=O)O	PC-id_87714914,SCHEMBL4695273	419.376	BGXOJYXMFDBOGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124188
OCC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C	SCHEMBL18353549	419.376	LAQWLBZABUTCRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124189
CCOC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc2OC(F)(F)Oc2c1	SCHEMBL19663855,BindingDB-id_731728	419.379	RYXNFPAXAOOCKG-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-124190
CCOC(=O)Oc1c2-c(c(c1NC(=O)C)OC(=O)OCC)ccc(cc2)CC(=O)O	PC-id_17776061,SCHEMBL8334319	419.382	YSQJCMWKOVOHOV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-124191
CC1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)(F)F)F)C	PC-id_140762756	419.394	CSUDRRXHWHMJAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124192
CC1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1F)C(F)F)F)C	PC-id_139471336,SCHEMBL21337334	419.394	YPATXDMVDVRIRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124193
C[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)(F)F)F)C	SCHEMBL18352820	419.394	CSUDRRXHWHMJAL-VIFPVBQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-124194
C[C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1F)C(F)F)F)C	SCHEMBL18352952	419.394	YPATXDMVDVRIRC-QMMMGPOBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124195
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3c(F)ccc(F)c3F)CCn12	EMOLS-id_20535557,PC-id_45201612,MCULE-3074954850	419.4	AXUQMBDDHFNTNU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124196
Cc1c(nc[nH]1)CN1CCc2c(CC1)oc(n2)C(=O)Nc1cccc(c1)C(F)(F)F	PC-id_134805180	419.4	PNXDSCYYZQDFOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124197
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1c(F)ccc(F)c1F)CC2	CoCoCo_1322697,CoCoCo_1322698,ZINC22_20911435,PC-id_29214311	419.4	AXUQMBDDHFNTNU-GFCCVEGCSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124198
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1c(F)ccc(F)c1F)CC2	ZINC22_20911438,PC-id_29214313,CoCoCo_1322700,CoCoCo_1322699	419.4	AXUQMBDDHFNTNU-LBPRGKRZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124199
O=C(c1nnn(c1)c1ccccc1C(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_112820288	419.404	HZBDTPUIPAUJKC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124200
s1c2c(CCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)OC	PC-id_3451064	419.408	DYDLIDUFZHBKHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124201
s1c2c(CCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1)C(=O)OC	PC-id_4280316	419.408	KPTTWQCNPSTGKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124202
O=C(N[C@@H]1CCCN(c2ccc(F)c(F)c2)C1=O)N1CCCn2nc(CO)cc2C1	ZINC22_2325828875	419.425	UNRUXMVDRLGEIK-GOSISDBHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-124203
O=C(N[C@H]1CCCN(c2ccc(F)c(F)c2)C1=O)N1CCCn2nc(CO)cc2C1	ZINC22_2325828876	419.425	UNRUXMVDRLGEIK-SFHVURJKSA-N	00000000100010110101100000000010000000000000000000000000	31-01-124204
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)[N+](OCC)(N)[O-]	SCHEMBL6880316	419.428	IFPNRCNTGQMVHI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-124205
BrC1=CC(=C)C=c2c(=N1)c(C=C1CCC1)cn2COCC[Si](C)(C)C	SCHEMBL12148024,PC-id_70673501	419.431	AZPOFQISUVIHKU-UHFFFAOYSA-N	00001000100000000110000000000010000000000000000000000000	31-01-124206
O(C(=O)C1(NC(=O)c2ncn(c2NC1=O)Cc1ccccc1)NCc1ccccc1)C	PC-id_10093530	419.433	QBXUWRKINOSUES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124207
FC(F)(F)COCCCN1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_56114018	419.442	GZIPDPYDFLHUHZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124208
c1(CN(C)Cc2onc(Cc3cccc(c3)C(F)(F)F)n2)c2CCCCCc2[nH]n1	CoCoCo_1498265,Chemmine_34735,EMOLS-id_20653011,MCULE-3528278995,ZINC22_19854201,PC-id_28407223,CoCoCo_1498266,CoCoCo_1498267,CoCoCo_1498264	419.443	ZYHGLEBNGXAIMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124209
C/C=C(NC1=NCCc2c(N1Cc1cc(F)c(c(c1)F)F)cn(n2)C)/C=C(/OC)C	PC-id_145412286	419.443	VTLDIXRWTKVWEA-OYVXUQMBSA-N	00000000100000110111000000000010000000000000000000000000	31-01-124210
s1c2c(CCCCC2)c(c1NC(=O)c1cc2[nH]c(nc2cc1)C(F)F)C(=O)OC	PC-id_56563723	419.445	ACUHQYNBHWIPJA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-124211
OCCCN1C(=O)C(CCO)Cc2c(C1=O)n(Cc1ccc(cc1)F)c(n2)OCC	SCHEMBL18835410	419.447	VVFRVFYAHUNLII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124212
Cc1sc(NC(=O)Cn2nc3n(c2=O)CCCCC3)nc1c1ccc(F)c(F)c1	MCULE-4481589814,GD-id_ZINC12950155,CoCoCo_4692341,EMOLS-id_24102452,ZINC22_12950155,PC-id_25628535	419.448	HAQFHVSXHWODQV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124213
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1c(O)cc(O)cc1)C(=O)OC	PC-id_8356942	419.448	YUSKYRNCRAUPMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124214
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)ncc1Cc1c(F)cc(F)cc1	PC-id_56046057	419.448	DOJWCZNKXBMYOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124215
Fc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(NC(=O)OC(C)(C)C)cc1	PC-id_56571690	419.45	OIPLITOWNLHOHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124216
Fc1c(NC(=O)OC(C)(C)C)cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55968168	419.45	GAOKQPCJFXBRQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124217
Fc1cccc(c1)C(=O)NCc1nnc2CCN(Cc3cc4ccccc4o3)CCn12	PC-id_28954724,MCULE-2811505108,CoCoCo_1232404,CoCoCo_1232405,ZINC22_20451117,EMOLS-id_20472739,ChEMBL-DNDi_CHEMBL22759878	419.451	GJMUPPNCFLOTAC-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-124218
Fc1cc(C(=O)NCc2n3CCN(CCc3nn2)C(=O)/C=C/c2ccccc2)ccc1	PC-id_42246795	419.451	LFAMXWPEROZLIO-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124219
Fc1cc(C(=O)NCc2n3CCN(CCc3nn2)C(=O)C=Cc2ccccc2)ccc1	PC-id_74785844	419.451	LFAMXWPEROZLIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124220
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)N(C(=O)C1=O)CC=C)C(=O)OC	PC-id_7807315	419.452	JOFFVLLDPAXXCG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-124221
s1c2c(CCCCC2)c(c1NC(=O)COc1c(nc(cc1)C)[N+](=O)[O-])C(=O)OC	PC-id_5218009	419.452	QLXITLGGAFUCTM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-124222
Fc1ccc(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)c(F)c1	CoCoCo_1143203,ZINC22_19739857,CoCoCo_1143204,EMOLS-id_20408618,PC-id_28309329,MCULE-9172092364	419.468	KNYAGBKMERNFLJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124223
Fc1cc(F)cc(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)c1	PC-id_29256695,EMOLS-id_20552783,CoCoCo_1347647,CoCoCo_1347646,MCULE-3491275458,ZINC22_20996652	419.468	XAXSPLQLFCRTSN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124224
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc2c(cc1)C(=O)NC2=O	PC-id_56560847	419.475	FGUHASLMBKYZCJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-124225
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1sc([N+](=O)[O-])cc1)C)C#N	PC-id_55419259	419.475	IOOJDRNZQPLQQY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124226
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3cc4c(cccc4)o3)CCn12	EMOLS-id_20594815,PC-id_28100378,CoCoCo_1410444,ZINC22_19227585,ChEMBL-DNDi_CHEMBL49256762,CoCoCo_1410445,MCULE-4245013791	419.476	IZJGNFAYYFMUCX-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-124227
c1(CN(c2ccc3c(OCO3)c2)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	MCULE-5633435467,PC-id_7267325,ZINC22_4518200,EMOLS-id_10085728,CoCoCo_2580279	419.476	WOEODTPTNTUVJY-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-124228
c1(CN(c2ccc3c(OCO3)c2)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	EMOLS-id_10086604,MCULE-5678835655,ZINC22_4518199,CoCoCo_2580278,PC-id_7267324	419.476	ZNBNJOQOBSACTF-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-124229
c1(nnc2CCCCCn12)N(Cc1ccc2c(OCO2)c1)C(=O)Nc1ccc(cc1)C	ZINC22_8550215,MCULE-8637050608,PC-id_4752645	419.476	UYRLQUVXDPARNP-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-124230
Cc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc3c(c2)OCO3)c1	ZINC22_28527999,CoCoCo_6602354,PC-id_16458849,MCULE-4065449997	419.476	MFGHCEYWBWXYRY-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-124231
Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc3c(c2)OCO3)cc1	ZINC22_28527832,CoCoCo_6601987,PC-id_16458776,MCULE-4110141288	419.476	UBFKSPVVNWBCHU-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-124232
CCc1ccc(cn1)C(=O)N1CCCn2ncc(C(=O)Nc3ccc(OC)cc3)c2C1	EMOLS-id_313762249,ZINC22_1565556690	419.476	QSIOQXYXTKWMBX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124233
COC(C(=O)N1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1	MCULE-2319669486,EMOLS-id_20726079,PC-id_45246977	419.476	NIDCVXITPJITBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124234
CO[C@@H](C(=O)N1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1	CoCoCo_1610694,ZINC22_15000741	419.476	NIDCVXITPJITBK-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124235
CO[C@H](C(=O)N1CCc2nnc(CNC(=O)c3ccccc3)n2CC1)c1ccccc1	CoCoCo_1610695,ZINC22_15000744	419.476	NIDCVXITPJITBK-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124236
n12CCN(CCc1nnc2CNC(=O)Cc1ccccc1)Cc1ccc2c(OCO2)c1	PC-id_28102082,ChEMBL-DNDi_CHEMBL50775785,CoCoCo_1418925,EMOLS-id_20600457,CoCoCo_1418926,ZINC22_19229486,MCULE-5696036062	419.476	OYHNBLKZNBRHQN-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-124237
N#Cc1ccc(cc1)OCc1ccc(o1)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_86886914	419.476	SUUZFHBQPJPGCO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124238
O1c2cc(N(Cc3n4CCCCCc4nn3)C(=O)Nc3c(cccc3)C)ccc2OC1	PC-id_7566156	419.476	YGVZTFSXVHZCEL-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-124239
O=c1n2CCCCCc2nn1CC(=O)Nc1c(c(ccc1)C(=O)Nc1ccccc1)C	PC-id_56244254	419.476	DKIWJYMTTJCAPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124240
O=c1n2CCCCCc2nn1CC(=O)Nc1c(ccc(c1)C(=O)Nc1ccccc1)C	PC-id_78887484	419.476	QUGFTFYQNWGCOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124241
O=c1n2CCCCCc2nn1CC(=O)Nc1c(ccc(NC(=O)c2ccccc2)c1)C	PC-id_55784925	419.476	MLARZNKPTYVHOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124242
O=c1n2CCCCCc2nn1CC(=O)NC(c1ccccc1)C(=O)Nc1ccccc1	PC-id_55779097	419.476	MHMHNPPMXVUQGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124243
O=C(NCCc1n2CCCCCc2nn1)c1ccc(Oc2ccc(cc2)C(=O)N)cc1	PC-id_56545921	419.476	IXZMUVUAWRFPAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124244
CCc1cccc(c1O)C(CC(C(F)(F)F)(Cc1cc2c([nH]1)C=CC=CC2)O)(C)C	PC-id_142814215	419.48	IHXSABHFBVCSPJ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-124245
O=C1C(CCn2c(N1C)cc(n2)CC1CC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366751	419.48	USJKIRDZIVWXIK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-124246
O=C1[C@H](CCn2c(N1C)cc(n2)CC1CC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366760	419.48	USJKIRDZIVWXIK-SFHVURJKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-124247
O=C(COC(=O)c1cc2c(s1)CCCCC2)NC[C@H]1CC[N@H+](C1)CC(F)(F)F	GD-id_ZINC50239201	419.482	AFCZTKJOBFUCIQ-CYBMUJFWSA-O	00000010100000000100000000000010000000000000000000000000	31-01-124248
Cc1csc([C@](O)(CC(=O)Nc2nc3c(s2)CCCCCC3)C(F)(F)F)n1	PC-id_97008424,ZINC22_84268168	419.485	FLYSSCUFZYMEST-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124249
Cc1csc([C@@](O)(CC(=O)Nc2nc3c(s2)CCCCCC3)C(F)(F)F)n1	ZINC22_84268164,PC-id_97008423	419.485	FLYSSCUFZYMEST-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124250
Cc1csc(n1)C(C(F)(F)F)(CC(=O)Nc1sc2c(n1)CCCCCC2)O	EMOLS-id_44559141,PC-id_71882056,MCULE-2775866255	419.485	FLYSSCUFZYMEST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124251
CNCO[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C(C(F)(F)F)C	SCHEMBL12883152,PC-id_70793012	419.485	ODPVAZJXGLGILP-RGUGMKFQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124252
FC(F)(F)C(c1n2c(CN(CCC2)C)c(n1)C(=O)NC(OCNC)C(C)(C)C)C	PC-id_77921979	419.485	ODPVAZJXGLGILP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124253
s1c2CCCCCc2c(c1NC(=O)CN(Cc1cc(OC(F)F)ccc1)C)C#N	PC-id_56069849	419.488	CMLLQHVSTRVPRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124254
s1c2CCCCCc2nc1NC(=O)C1CCN(CC1)C(=O)c1c(F)cc(F)cc1	PC-id_24611874	419.488	HATPZWUTRLMVFT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124255
c1(NC(=O)c2cc(c(OC)c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)OC	MCULE-1715260355,PC-id_1022984,CoCoCo_352546,BAS-06653624,EMOLS-id_1483788,TIMTEC185374,SPECS-id_AK-968/40728989,ZINC22_689034,STOCK3S-20746	419.491	HAPVNTWRLYJGMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124256
Cn1c2c(CCCCC2=Cc2cc(ccc2)F)c(n1)C(=O)NC(CO)c1ccccc1	PC-id_90756845	419.491	AXQFDGPBAQGXGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124257
Fc1cc(/C=C/c3n(nc(c3CCCC2)C(=O)N[C@H](c2ccccc2)CO)C)ccc1	SCHEMBL176652,PC-id_58882494	419.491	AXQFDGPBAQGXGR-SLTDHEAWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124258
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(OC)c(OC)c(OC)c1	PC-id_16509379	419.491	FVQLPMAHUKGMOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124259
C1CC1CN1CCNc2c(C1=O)n(c(n2)CNc1ccc(cc1)F)Cc1ccccc1	PC-id_134806271	419.495	LJLPAVSCEOVMFT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-124260
c1(C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)OC)c2CCCCCc2on1	ZINC22_36358698,MCULE-2261706423,PC-id_45493281,STOCK6S-90197,EMOLS-id_29925731	419.495	CHYMJZYEISCHAB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124261
c1(NC(=O)CNC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCCCC2)n1	PC-id_25541272,MCULE-8873858595,EMOLS-id_334605169	419.495	WAVBILZEMYTLJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124262
CCOc1cc(cc(c1OCC)OCC)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625340	419.495	CQTPOQGHXOBTBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124263
N#Cc1ccc(cc1)N1CC[C@@H]([C@@H](C1)F)NC1=C(C=C(C)CCc2c1cc[nH]2)C(=O)N	PC-id_143720995	419.495	SZMPKCFMNLGBCH-IRLDBZIGSA-N	00000000100010110110100000000010000000000000000000000000	31-01-124264
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(n(CCC)c(=O)n(c1=O)C)N	PC-id_7649996	419.495	XCQLAZLMTCFKEU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-124265
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(C1CC1)C)C(=O)OC	PC-id_55306224	419.495	NBHVSHPXPGVKGW-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-124266
s1c2CCCCCCc2cc1C(=O)OCC(=O)c1c(n(CCC)c(=O)[nH]c1=O)N	PC-id_7618572	419.495	LCRYFGOYKBOQPD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-124267
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)/C=C/c1ccc(cc1)C#N)C)C#N	PC-id_8398363	419.496	DKBNTVBYJHCWNP-RUMSDORHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124268
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)/C=C/c1ccc(cc1)C#N)C)C#N	PC-id_8398364	419.496	DKBNTVBYJHCWNP-AYJWMTRPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124269
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(n2cccc2)cc1)C#N	PC-id_27560375	419.496	VAOOOTIYWKLMRI-UHFFFAOYSA-N	00000000110000110100100000000010000000000000000000000000	31-01-124270
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=Cc1ccc(cc1)C#N)C)C#N	PC-id_78685612	419.496	DKBNTVBYJHCWNP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124271
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	PC-id_41793727,CoCoCo_4447317,ZINC22_11049215,EMOLS-id_17204881,MCULE-3766726744	419.498	IGKZNPPWRDLGBI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124272
S(CC(=O)NCCc1n2CCCCCc2nn1)Cc1cc([N+](=O)[O-])c(OC)cc1	PC-id_55618690	419.498	MWTZHAAOONCBFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124273
S(=O)(=O)(N1CCc2c1cccc2)CCNC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55662727	419.498	YGLSITREUSAIAB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-124274
S(=O)(=O)(NC1CC1)c1ccc(cc1)CNC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55846651	419.498	PHSBACMCBHYCMP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-124275
S(=O)(=O)(NCC=C)Cc1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56420008	419.498	JTHHPXYBXLEJGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124276
S(=O)(=O)(NCCC(=O)NCc1n2CCCCCc2nn1)c1ccc(cc1)C(=O)C	PC-id_55519105	419.498	ANCYENXQQKSKFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124277
S(=O)(=O)(NCCC(=O)NCc1n2CCCCCc2nn1)c1cc(ccc1)C(=O)C	PC-id_55519327	419.498	UOTFZQGDTRCMRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124278
Oc1ccc(C=c2sc(=C(C#N)c3nnc4CCCCCn34)n(CC=C)c2=O)cc1	BindingDB_PC-id_2998532,BindingDB-id_101348,ChEMBL-DNDi_CHEMBL1478016,PC-id_2998532	419.499	MFDQMEXYSHRTRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124279
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)/c/1=C/c1ccc(O)cc1)CC=C	PC-id_2310918	419.499	MFDQMEXYSHRTRS-NZMUFIEBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124280
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)/c/1=C/c1ccc(O)cc1)CC=C	PC-id_2310920	419.499	MFDQMEXYSHRTRS-IMWYKSJCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124281
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)c1=Cc1ccc(O)cc1)CC=C	PC-id_7039384	419.499	MFDQMEXYSHRTRS-SVLDOHDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124282
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1ccc(O)cc1)CC=C	PC-id_7039385	419.499	MFDQMEXYSHRTRS-UUZKQMLZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124283
S(=O)(=O)(N/C(=C(c1n2CCCCCc2nn1)/C#N)/c1ccccc1)c1ccccc1	PC-id_2324365	419.499	LXQNKEDCAGSWEQ-VZCXRCSSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124284
S(=O)(=O)(N=C(C(c1n2CCCCCc2nn1)C#N)c1ccccc1)c1ccccc1	PC-id_3436168	419.499	GMFZWNQJLBCEAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124285
S(=O)(=O)(NC(=C(c1n2CCCCCc2nn1)C#N)c1ccccc1)c1ccccc1	PC-id_78267629	419.499	LXQNKEDCAGSWEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124286
S(=O)(=O)(N=C([C@H](c1n2CCCCCc2nn1)C#N)c1ccccc1)c1ccccc1	PC-id_7745772	419.499	GMFZWNQJLBCEAB-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124287
S(=O)(=O)(N=C([C@@H](c1n2CCCCCc2nn1)C#N)c1ccccc1)c1ccccc1	PC-id_7745773	419.499	GMFZWNQJLBCEAB-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-124288
CC(OC(=O)c1ccc(cc1)CC1CCCCc2c(C1(F)F)nnn2C(C)(C)C)C	PC-id_139404274,SCHEMBL21261149	419.508	VCSMPRHQBSRYLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124289
Fc1cccc(c1)CC1CCCCc2c1[nH]nc2/C=C/[N+](=O)N[C@H](c1ccccc1)C	PC-id_145479748	419.514	PQWRPBAGJGAJFV-PTULCPQNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124290
S1(=O)(=O)N(CCOC(=O)c2sc3CCCCCCc3c2)C(=O)c2c1cccc2	PC-id_7618293	419.514	FCADQTNKQUYUGJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-124291
CCc1oc2c(c1)C=C(CC=C2)/C(=CC1CCCCC1)/C=Nc1n(C)ncc1C(=O)O	PC-id_142837821	419.516	LRMSUDIAGJOUGT-WVHHKDLISA-N	00000000100010000111000000000010000000000000000000000000	31-01-124292
S(c1n2CCCCCc2nn1)CC(=O)N(CC(=O)NCc1ccc(F)cc1)CC	PC-id_7876848	419.516	PKPMLVBEVFDLPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124293
c1(NC(=O)C(=O)NN=Cc2cccs2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_2020998,MCULE-4143113291	419.518	JPIJGZOBWCOGBV-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124294
Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_3902294,EMOLS-id_43917405,ZINC22_7986440,MCULE-2002007724,PC-id_9115441	419.518	KDQQBLOUWVWPAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124295
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccs2)sc2c1CCCCC2	STOCK4S-73597,EMOLS-id_26348861,PC-id_9560727	419.518	JPIJGZOBWCOGBV-RGVLZGJSSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124296
N#Cc1nc2oc1N(C)CCCC[C@@H](C(=O)N[C@H]2C(C)(C)C)NC(=O)[C@H](C(C)C)O	PC-id_146048330	419.518	SQAMGEBGYUSSEJ-CWRNSKLLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124297
O1C(CN(C(=O)C2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)CC1C)C	PC-id_55672678	419.518	HNAXVJLXIBDNBX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124298
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc2c(N(C(=O)C2)C)cc1	PC-id_24602665	419.518	OPWSYPMAKFXFRD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-124299
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)Cn1c(csc1=O)C)C)C#N	PC-id_9306023	419.518	GTVGSEOHQRYQMQ-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124300
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)Cn1c(csc1=O)C)C)C#N	PC-id_9306026	419.518	GTVGSEOHQRYQMQ-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124301
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cn1c(csc1=O)C)C)C#N	PC-id_84975432	419.518	GTVGSEOHQRYQMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124302
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(ccc([N+](=O)[O-])c1)C)C(=O)OC	PC-id_20411813	419.518	SIDLSPVQUOPFQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124303
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc([N+](=O)[O-])cc1)C)C(=O)OC	PC-id_20412486	419.518	BTIMUUDDGYMCAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124304
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_20411670	419.518	GRRDRGSPYNDZNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124305
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(c([N+](=O)[O-])ccc1)C)C(=O)OC	PC-id_20408413	419.518	BPCXKXFJQCABHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124306
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])c(cc1)C)C(=O)OC	PC-id_20415087	419.518	VZZYSBPXHAHBRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124307
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_20411633	419.518	LCDBTGMNRLBLHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124308
s1c2c(CCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(cc1)C)C(=O)OC	PC-id_20412610	419.518	WXZAIYUWWUTXPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124309
s1c2c(CCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cccc1)C(=O)OCC	PC-id_20411592	419.518	MMIQDZBLBDOXOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124310
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc2c(NC(=O)C2)cc1	PC-id_9056053	419.518	UPTFBGVVLNGQED-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-124311
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_20411664	419.518	GFLIVRQGJBIUPJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124312
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])ccc1)C(=O)OC	PC-id_20411626	419.518	VTNFETXPLACFRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124313
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cccc1)C(=O)OC	PC-id_20411585	419.518	PESBOZCPPUXKIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124314
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(CC(=Cc3ccco3)C)CCn12	PC-id_74781655,MCULE-6882107924	419.519	CAPFZVDNLCGGMR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124315
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccccc3C)CCn12	MCULE-3757876016,EMOLS-id_20477875,PC-id_45188436	419.519	LBCKFTJFANNETE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124316
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(cc3)C)CCn12	PC-id_45193766,MCULE-8225487743,EMOLS-id_20501025	419.519	RIDDYXKGZLPNJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124317
C1Cn2c(nnc2CN(C(=O)Nc2cccc(C)c2C)c2c(OC)cccc2)CCC1	CoCoCo_6415017,EMOLS-id_13159486,PC-id_35396058,ZINC22_28047764,MCULE-1441761790	419.519	MCBIRUOEEOMTPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124318
c1(CN(c2ccccc2CC)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	CoCoCo_2580293,ZINC22_4518207,EMOLS-id_10086938,MCULE-2543010841,ChEMBL-DNDi_CHEMBLF2559-0413,PC-id_7267330	419.519	PXYLFOVVGXQTEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124319
c1(CN(c2ccc(cc2)CC)C(=O)Nc2ccccc2OC)nnc2CCCCCn12	MCULE-6150506948,ChEMBL-DNDi_CHEMBLF2559-0214,PC-id_7267290,EMOLS-id_10085580,ZINC22_4518149,CoCoCo_2580230	419.519	JHZASUZJCQQCPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124320
c1(CN(c2ccc(cc2C)C)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	ZINC22_4518147,PC-id_7267288,CoCoCo_2580227,MCULE-2535228712,EMOLS-id_10086690	419.519	PTMIWERAPZEDMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124321
c1(CN(c2ccc(cc2)CC)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	ZINC22_4518153,ChEMBL-DNDi_CHEMBLF2559-0216,CoCoCo_2580232,PC-id_7267293,MCULE-8321480426,EMOLS-id_10086590	419.519	YSZVCYFARADPJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124322
c1(CN(c2ccc(cc2C)C)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	CoCoCo_2580226,ZINC22_4518146,PC-id_7267287,MCULE-8077578497,EMOLS-id_10086688	419.519	SKXZJKYQNYKVII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124323
c1(CN(c2ccc(cc2)CC)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	CoCoCo_2580231,EMOLS-id_10086588,MCULE-8188094394,PC-id_7267291,ZINC22_4518151,ChEMBL-DNDi_CHEMBLF2559-0215	419.519	ILYVFEKJIWYNSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124324
c1(CN(c2ccccc2CC)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	MCULE-6782535569,ChEMBL-DNDi_CHEMBLF2559-0412,CoCoCo_2580292,PC-id_7267329,EMOLS-id_10086936,ZINC22_4518205	419.519	JAYOIXDQDVLBCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124325
c1(CN(c2ccc(cc2)OCC)C(=O)Nc2ccccc2C)nnc2CCCCCn12	ChEMBL-DNDi_CHEMBLF2559-0173,ZINC22_4518130,PC-id_7267274,CoCoCo_2580213,EMOLS-id_10086920,MCULE-9544064734	419.519	VEUUGSGKDYJCTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124326
c1(CN(c2ccc(cc2)OCC)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	EMOLS-id_10086468,MCULE-4296279370,ChEMBL-DNDi_CHEMBLF2559-0175,PC-id_7267275,CoCoCo_2580214,ZINC22_4518132	419.519	ILGSUQINIORZOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124327
c1(CN(c2ccccc2OCC)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	PC-id_7267295,CoCoCo_2580235,EMOLS-id_10086412,ChEMBL-DNDi_CHEMBLF2559-0225,MCULE-3078893881,ZINC22_4518156	419.519	JLMOVMDWEPUCLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124328
c1(CN(c2ccc(c(C)c2)C)C(=O)Nc2ccccc2OC)nnc2CCCCCn12	CoCoCo_2580241,ZINC22_4518161,EMOLS-id_10086792,PC-id_7267300,MCULE-2914436472	419.519	YKXMWIDEYQQZHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124329
c1(CN(c2cccc(C)c2C)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	EMOLS-id_10086586,PC-id_7267273,CoCoCo_2580212,MCULE-9473237587,ZINC22_4518129	419.519	RCSRKZMPORGPOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124330
c1(CN(c2cc(C)ccc2C)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	EMOLS-id_10086594,ZINC22_5223584,PC-id_7566065,CoCoCo_6271531,MCULE-8136851331	419.519	DAQRONWLPXUJJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124331
c1(CN(c2ccc(c(C)c2)C)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	MCULE-1524411125,EMOLS-id_10086696,ChEMBL-DNDi_CHEMBLF2559-0246,CoCoCo_2580243,ZINC22_4518168,PC-id_7267302	419.519	WSAORRIIJUVDRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124332
c1(CN(c2cccc(C)c2C)C(=O)Nc2ccccc2OC)nnc2CCCCCn12	PC-id_7566018,EMOLS-id_10085578,MCULE-2103069035,CoCoCo_6271193,ZINC22_5223528	419.519	GRPDOSNCNVUSEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124333
c1(CN(c2cc(C)ccc2C)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	CoCoCo_2580239,EMOLS-id_10086592,MCULE-2992038831,ZINC22_4518159,ChEMBL-DNDi_CHEMBLF2559-0238,PC-id_7267298	419.519	QDPCNHABELAJMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124334
c1(CN(c2cccc(C)c2C)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	ZINC22_4518127,CoCoCo_2580211,MCULE-3243991322,EMOLS-id_10086584,PC-id_7267271	419.519	CFDNJTZAKZQRFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124335
c1(CN(c2ccc(c(C)c2)C)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	ZINC22_4518165,EMOLS-id_10086694,MCULE-7032737720,PC-id_7267301,CoCoCo_2580242,ChEMBL-DNDi_CHEMBLF2559-0245	419.519	CCSVDSBITVTXAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124336
c1(CN(c2cc(C)ccc2OC)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	CoCoCo_5142788,PC-id_7566145,ZINC22_5223670,MCULE-9101741712,EMOLS-id_5701320,Chemmine_46435	419.519	HMQMNHTVLHLPDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124337
c1(CN(c2cc(C)ccc2OC)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	PC-id_7566141,EMOLS-id_5701318,MCULE-5613430827,ZINC22_5223666,CoCoCo_5142787	419.519	CQUCKUYTRROPFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124338
c1(CN(c2cccc(CC)c2)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	CoCoCo_2580219,EMOLS-id_10086928,ChEMBL-DNDi_CHEMBLF2559-0186,MCULE-3752847274,ZINC22_4518136,PC-id_7267279	419.519	NGDPUYLJQCHDOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124339
c1(CN(c2cc(C)cc(C)c2)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	MCULE-7700441868,EMOLS-id_10086796,PC-id_7267318,ZINC22_4518190,CoCoCo_2580261	419.519	DIMMKJBTVMMSGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124340
c1(CN(c2cc(C)cc(C)c2)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	EMOLS-id_10086794,MCULE-5443827445,PC-id_7267317,ZINC22_4518188,CoCoCo_2580260	419.519	QIMGGVOGUKKREX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124341
c1(CN(c2cccc(CC)c2)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	EMOLS-id_10086926,ChEMBL-DNDi_CHEMBLF2559-0185,PC-id_7267277,ZINC22_4518134,CoCoCo_2580218,MCULE-6346629719	419.519	IHPRAOYELNLSII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124342
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)CC)C(=O)Nc1ccccc1OC	PC-id_4752594,ZINC22_8337940,MCULE-5043333131	419.519	SSVIVRUFHAEVEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124343
c1(nnc2CCCCCn12)N(Cc1cc(C)cc(C)c1)C(=O)Nc1ccc(cc1)OC	PC-id_4752747,MCULE-3880703441,ZINC22_8549024	419.519	IRTXALQWKCDPDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124344
c1(nnc2CCCCCn12)N(Cc1cc(C)cc(C)c1)C(=O)Nc1cccc(OC)c1	MCULE-1960181719,PC-id_4752746,ZINC22_8549025	419.519	JMXIUCYCJFNDPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124345
Cc1ccc(c(c1)C)C(=O)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccco1	CoCoCo_1188970,CoCoCo_1188968	419.519	XZDYKTUSXIYFQJ-HYXAFXHYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124346
Cc1ccc(c(c1)C)C(=O)NCCc1nnc2n1CCN(CC2)C/C=C/c1ccco1	CoCoCo_1188971,CoCoCo_1188969,PC-id_26274267	419.519	XZDYKTUSXIYFQJ-HWKANZROSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124347
Cc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1	CoCoCo_1307567,PC-id_29154421,CoCoCo_1307566,ZINC22_20786117	419.519	YIMIOBFTYNVDFQ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124348
Cc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1	CoCoCo_1307569,PC-id_29154422,CoCoCo_1307568,ZINC22_20786122	419.519	YIMIOBFTYNVDFQ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-124349
Cc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)C(=O)[C@H]1C[C@H]2C[C@@H]1C=C2	CoCoCo_1347565,PC-id_42482039	419.519	CJJRLGJIQLTUBL-HOJAQTOUSA-N	00000011100000110101000000000110000000000000000000000000	31-01-124350
Cc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)C(=O)[C@H]1C[C@@H]2C[C@H]1C=C2	CoCoCo_1347566	419.519	CJJRLGJIQLTUBL-SXLOBPIMSA-N	00000011100000110101000000000110000000000000000000000000	31-01-124351
Cc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)C(=O)[C@@H]1C[C@@H]2C[C@H]1C=C2	CoCoCo_1347567	419.519	CJJRLGJIQLTUBL-DFQSSKMNSA-N	00000011100000110101000000000110000000000000000000000000	31-01-124352
Cc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)C(=O)[C@@H]1C[C@H]2C[C@@H]1C=C2	CoCoCo_1347568	419.519	CJJRLGJIQLTUBL-YZGWKJHDSA-N	00000011100000110101000000000110000000000000000000000000	31-01-124353
Cc1ccc(C)c(CNC(=O)CC2CCc3nn(Cc4cccnc4)c(=O)n3CC2)c1	EMOLS-id_207877280,MCULE-9871854699	419.519	CCQYSXFIOWKHEJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124354
Cc1cccc(CCNC(=O)CC2CCc3nn(Cc4cccnc4)c(=O)n3CC2)c1	MCULE-9686466001,EMOLS-id_207877313	419.519	QQHJDZRMEGAZJW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124355
Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c1	PC-id_29257165,CoCoCo_1350101,ZINC22_20997375,CoCoCo_1350100	419.519	AABUPYYWHJKQFD-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124356
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c1	PC-id_29257166,CoCoCo_1350103,CoCoCo_1350102,ZINC22_20997377	419.519	AABUPYYWHJKQFD-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-124357
Cc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1	CoCoCo_1343449,ZINC22_20995474,EMOLS-id_20549901,CoCoCo_1343450,MCULE-7032180696,PC-id_29255886	419.519	UMPABHHHSCQFBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124358
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	PC-id_28310168,CoCoCo_1148262,CoCoCo_1148261,ZINC22_19741068	419.519	NHKRLBWZHJZZIL-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-124359
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	ZINC22_19741066,PC-id_28310167,CoCoCo_1148260,CoCoCo_1148259	419.519	NHKRLBWZHJZZIL-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124360
CCc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1cccc(OC)c1	CoCoCo_6602639,PC-id_16458987,ZINC22_28534867,MCULE-8595139801	419.519	QUDWZKHRALCZQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124361
CCc1cccc(C/N=c/2\nc3CCCCCn3n2C(=O)Nc2ccc(OC)cc2)c1	EMOLS-id_46572227,ZINC22_16778139	419.519	XAMBEDGAMROBFF-WJTDDFOZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124362
CCc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(OC)c2)c1	CoCoCo_6602635,PC-id_16458983,MCULE-3504470791,ZINC22_28534859	419.519	ODNBGHDOTRLONR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124363
CCc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2OC)cc1	CoCoCo_6601911,MCULE-6593928843,ZINC22_28527797,PC-id_16458762	419.519	BNZUSDIXZOKCOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124364
CCc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(OC)c2)cc1	PC-id_16458842,CoCoCo_6602347,ZINC22_28527985,MCULE-3985203174	419.519	FVZVOUXVPRKWFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124365
CCc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(OC)cc2)cc1	MCULE-1670746602,CoCoCo_6602348,PC-id_16458843,ZINC22_28527987	419.519	HVHMNVUELUFFRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124366
C/C(=Cc1ccco1)/CN1CCc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2CC1	CoCoCo_1118926,CoCoCo_1118928,ZINC22_55568757,PC-id_42212230	419.519	CAPFZVDNLCGGMR-POWXATIXSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124367
C/C(=Cc1ccco1)/CN1CCc2nnc([C@H](C)NC(=O)c3ccccc3C)n2CC1	PC-id_42212232,CoCoCo_1118932,CoCoCo_1118930,ZINC22_55568756	419.519	CAPFZVDNLCGGMR-LQATUXICSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124368
C/C(=C/c1ccco1)/CN1CCn2c(CC1)nnc2[C@H](NC(=O)c1ccccc1C)C	CoCoCo_1118927,CoCoCo_1118925	419.519	CAPFZVDNLCGGMR-QQSJCBEGSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124369
C/C(=C/c1ccco1)/CN1CCn2c(CC1)nnc2[C@@H](NC(=O)c1ccccc1C)C	CoCoCo_1118929,CoCoCo_1118931	419.519	CAPFZVDNLCGGMR-AOBSDOCKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124370
C[C@@H](CCc1ccccc1)C=NC(=N)C(=O)C/C=C/[C@H]1CCn2c(ccn2)N(C1=O)C	PC-id_135136078	419.519	PKQZIBKSPRTRPS-PJWALQMTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124371
C[C@@H](CCc1ccccc1)/C=N/C(=N)C(=O)C/C=C/[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL20282529	419.519	PKQZIBKSPRTRPS-SWYZYZMGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124372
CC(NC(=O)c1ccccc1C)c1nnc2CCN(C/C(=C/c3ccco3)/C)CCn12	EMOLS-id_25987471,PC-id_45168153	419.519	CAPFZVDNLCGGMR-BMRADRMJSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124373
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccccc3C)CCn12	ChEMBL-DNDi_CHEMBL32989501,MCULE-9769247241,EMOLS-id_20525035,PC-id_45199171	419.519	YIMIOBFTYNVDFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124374
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccc(C)cc3)CCn12	EMOLS-id_20412394,MCULE-5639238347,PC-id_45173303,ChEMBL-DNDi_CHEMBL13316399	419.519	NHKRLBWZHJZZIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124375
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3cccc(C)c3)CCn12	PC-id_45205902,EMOLS-id_20554439,ChEMBL-DNDi_CHEMBL39373214,MCULE-7222499938	419.519	AABUPYYWHJKQFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124376
CCOc1ccc(cc1)N(Cc1nnc2CCCCCn12)C(=O)Nc1cccc(C)c1	ZINC22_1432450,MCULE-1240098016,Chemmine_46432,CHEMBL1320259,ChEMBL-DNDi_CHEMBL1320259,EMOLS-id_5571342,CoCoCo_1985045,PC-id_1511958,ChEMBL-DNDi_CHEMBLF2559-0174	419.519	IAAVTFSUMJGFOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124377
CCOc1ccccc1NC(=O)N(Cc1nc2n(n1)CCCCC2)c1ccc(C)cc1	MCULE-3351585209,PC-id_16458810,ZINC22_28527919,CoCoCo_6602274	419.519	KDFBBBHBFRXNNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124378
CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2C)cc1	PC-id_16458980,ZINC22_28534853,CoCoCo_6602631,MCULE-3690152325	419.519	XCWXCODXFOFCRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124379
CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(C)cc2)cc1	CoCoCo_6602289,MCULE-8107078338,PC-id_16458822,ZINC22_28527945	419.519	UFANOYMFDGWNEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124380
CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)cc1	MCULE-4627785911,PC-id_16458821,ZINC22_28527943,CoCoCo_6602288	419.519	OXBFXJWBQKJNFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124381
COc1ccccc1C(=O)NCc1nnc2CCN(Cc3ccc(C)cc3C)CCn12	ZINC22_20201079,CoCoCo_1196754,CoCoCo_1196753,EMOLS-id_20447443,PC-id_28729730,MCULE-8933025103,ChEMBL-DNDi_CHEMBL18572773	419.519	ITWRXCQHENQNEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124382
COc1ccccc1C(=O)NCc1nnc2CCN(Cc3cc(C)cc(C)c3)CCn12	PC-id_28735824,ZINC22_20206755,MCULE-7887778010,EMOLS-id_20458019	419.519	AWWMBERWQGYYEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124383
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccccc3C)CCn12	EMOLS-id_232755671,PC-id_26321644,ZINC22_14959835,MCULE-2323497035	419.519	ZHSZZUQTBNCDMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124384
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(C)cc3)CCn12	PC-id_26281469,CoCoCo_1213874,ZINC22_14887394,EMOLS-id_20459825,CoCoCo_1213875,MCULE-3042501035	419.519	PAUOKEUYUKGDBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124385
COc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)Cc1cccc(c1)C	CoCoCo_1134288,PC-id_30853400,CoCoCo_1134287	419.519	UYWJYIOLNBACRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124386
COc1ccccc1NC(=O)N(Cc1nc2n(n1)CCCCC2)c1ccc(C)c(C)c1	CoCoCo_6602506,PC-id_16458902,MCULE-7241099209,ZINC22_28534684	419.519	AVCVCGARPZLQTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124387
COc1cccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)c1	PC-id_26275897,ZINC22_14879912,EMOLS-id_20446715,CoCoCo_1195739,CoCoCo_1195738,MCULE-1665589418	419.519	PYNLXSBMQHLKEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124388
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccccc2C)CC3)c1	CoCoCo_1239629,ZINC22_20452906,CoCoCo_1239630	419.519	LBCKFTJFANNETE-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124389
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccccc2C)CC3)c1	ZINC22_20452904,CoCoCo_1239631,CoCoCo_1239632	419.519	LBCKFTJFANNETE-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124390
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(C)cc2)CC3)c1	CoCoCo_1272870,ZINC22_20600889,CoCoCo_1272871	419.519	RIDDYXKGZLPNJP-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124391
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1ncccn1)C(=O)OCC	PC-id_23804533	419.561	HVURPMUTWVEECG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-124506
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(C)cc2)CC3)c1	CoCoCo_1272872,CoCoCo_1272873,ZINC22_20600888	419.519	RIDDYXKGZLPNJP-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124392
COc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1C	MCULE-5846263060,ZINC22_15000258,ChEMBL-DNDi_CHEMBL48442679,EMOLS-id_20591559,PC-id_26356047,CoCoCo_1405749,CoCoCo_1405748	419.519	VHSUMVXWDPAEGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124393
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)cc2C)c1	MCULE-1649073927,PC-id_16458871,ZINC22_28534629,CoCoCo_6602427	419.519	PTKCXXYJMVXAAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124394
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(C)c2C)c1	PC-id_16458839,ZINC22_28527979,CoCoCo_6602344,MCULE-9758561542	419.519	ADBXEUBKTSIJKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124395
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)c(C)c2)c1	PC-id_16458874,CoCoCo_6602430,ZINC22_28534635,MCULE-8047310162	419.519	NDWNWGXFNPIEKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124396
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cc(C)cc(C)c2)c1	PC-id_16458903,CoCoCo_6602507,MCULE-5999310080,ZINC22_28534686	419.519	SJRXHNCYTFNCNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124397
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(C)c2C)cc1	MCULE-4740697748,ZINC22_28527981,CoCoCo_6602345,PC-id_16458840	419.519	GFBPTKKXSDHFTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124398
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)cc2C)cc1	ZINC22_28534631,MCULE-6215689133,PC-id_16458872,CoCoCo_6602428	419.519	FXEKXJZXIHRPPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124399
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)c(C)c2)cc1	MCULE-8592597818,ZINC22_28534637,PC-id_16458875,CoCoCo_6602431	419.519	DYRFYQDHWWCVEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124400
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cc(C)cc(C)c2)cc1	ZINC22_28534687,MCULE-1479655967,PC-id_16458904,CoCoCo_6602508	419.519	WJWPNBPITNHLLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124401
n1(n2CCCCCc2nc1=NCc1cccc(CC)c1)C(=O)Nc1ccc(cc1)OC	PC-id_16443101,MCULE-8090069223	419.519	XAMBEDGAMROBFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124402
N#Cc1c(NC(=O)C[n+]2ccn(c2)c2ccc(cc2)C(=O)C)sc2c1CCCCC2	GD-id_ZINC44797399	419.519	KMEHGGBRXQACAU-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-124403
o1c(C=CCN2CCn3c(nnc3CCNC(=O)c3c(cc(cc3)C)C)CC2)ccc1	PC-id_85454978	419.519	XZDYKTUSXIYFQJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124404
o1c(c(C(=O)NCc2n3CCN(CCc3nn2)C/C(=C/c2ccccc2)/C)cc1C)C	PC-id_42364628	419.519	AAYYMKCAAIDZAS-GHRIWEEISA-N	00000000101000110101000000000010000000000000000000000000	31-01-124405
o1c(c(C(=O)NCc2n3CCN(CCc3nn2)CC(=Cc2ccccc2)C)cc1C)C	PC-id_74799477	419.519	AAYYMKCAAIDZAS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124406
o1c(CN2C(Cc3c2cccc3)C)c(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_56560339	419.519	KBOPRCWKPJDNHJ-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-124407
O(c1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2c(cccc2)C)cccc1)CC	PC-id_7566053	419.519	RLMXIIMNORRTJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124408
O(c1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2cc(ccc2)C)cccc1)CC	PC-id_7566057	419.519	ZZATVHXHHMAAJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124409
O(c1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2c(cccc2)C)cc(cc1)C)C	PC-id_7566139	419.519	FVLYYNCKYMVECV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124410
O(c1c(NC(=O)NCCc2n3CCCCCc3nn2)ccc(c1)C)Cc1ccccc1	PC-id_60488810	419.519	HJFJCIRKBTYATP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124411
O=c1n2CCCCCc2nn1CC(=O)N(C(C)C)c1ccc(Nc2ccccc2)cc1	PC-id_55602869	419.519	IFSUINBBAMXLPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124412
O=C(N(Cc1n2CCCCCc2nn1)c1c(cccc1C)C)Nc1ccc(OC)cc1	PC-id_7566002	419.519	XSZAPNUYCMIDGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124413
O=C(N(Cc1n2CCCCCc2nn1)c1c(cccc1C)C)Nc1cc(OC)ccc1	PC-id_7566001	419.519	GAJXLTGJBSLWPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124414
O=C(N(Cc1n2CCCCCc2nn1)c1c(cccc1C)C)Nc1c(OC)cccc1	PC-id_7565999	419.519	ZOZMLEABFGEREK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124415
O=C(N(Cc1n2CCCCCc2nn1)c1c(cc(cc1)C)C)Nc1c(OC)cccc1	PC-id_7566044	419.519	XCILYKPYIGIZKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124416
O=C(N(Cc1n2CCCCCc2nn1)c1c(ccc(c1)C)C)Nc1c(OC)cccc1	PC-id_7566063	419.519	PSRDQJMHQMDHHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124417
O=C(N(Cc1n2CCCCCc2nn1)c1cc(cc(c1)C)C)Nc1c(OC)cccc1	PC-id_7566094	419.519	MEHZJFWUKSSYMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124418
O=C(N(Cc1n2CCCCCc2nn1)c1cc(CC)ccc1)Nc1c(OC)cccc1	PC-id_7566027	419.519	LDYOOAWSWCRWEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124419
O=C(N(Cc1n2CCCCCc2nn1)c1c(CC)cccc1)Nc1c(OC)cccc1	PC-id_7566165	419.519	RAERHBURPATZCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124420
O=C(NC(c1nnc2n1CCN(CC2)C/C=C/c1ccco1)C)CCc1ccccc1	ChEMBL-DNDi_CHEMBL36761826	419.519	CDZFPPYINRAITL-WEVVVXLNSA-N	00000000101000110101000000000010000000000000000000000000	31-01-124421
s1c2CCCCCc2cc1C(=O)Nc1cc(CN2N=C3[NH+](C2=O)C=CC=C3)ccc1	PC-id_75878590	419.519	OPJRIPURPJYVNL-UHFFFAOYSA-O	00000011100011110101000000000110000000000000000000000000	31-01-124422
CCOC(=O)Cc1csc(n1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135759192	419.521	DFZUHRLVHOUXJU-YPKPFQOOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124423
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1scc(n1)CC(=O)OCC	PC-id_78721069	419.521	ZPAVOTNMCKZXCE-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-124424
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1scc(n1)CC(=O)OCC	PC-id_8545461	419.521	ZPAVOTNMCKZXCE-LGMDPLHJSA-N	00000011100000000111000000000010000000000000000000000000	31-01-124425
O=C(c1cnn(Cc2ccccc2)c1)N1CCN(Cc2nnc3n2CCCCC3)CC1	CoCoCo_4469559,EMOLS-id_44025813,ZINC22_32871437,MCULE-3105399431,PC-id_40105842	419.523	NJRLEKWEGQKBJC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124426
c1(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC294950,MCULE-4081160285,EMOLS-id_4101646,PC-id_17378841	419.534	LSRKKSQGFAMUAG-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-124427
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCCCCCC2)c1C(=O)OCC	TIMTEC220254,PC-id_4167358,MCULE-4036818917,EMOLS-id_4101648	419.534	INLYLINKPDKDEZ-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-124428
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1ncccn1)C)C(=O)OCC	PC-id_23998276	419.561	PNTIBVHFOAQRDC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-124507
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=C(C)C[C@H]2C(=O)O)C)sc2c1CCCCC2	PC-id_27525542,ZINC22_17091912,CoCoCo_6834483	419.534	LSRKKSQGFAMUAG-HZPDHXFCSA-N	00000000100011000100000000000010000000000000000000000000	31-01-124429
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=C(C)C[C@@H]2C(=O)O)C)sc2c1CCCCC2	ZINC22_17091910,PC-id_27525538,CoCoCo_6834482	419.534	LSRKKSQGFAMUAG-CVEARBPZSA-N	00000000100011000100000000000010000000000000000000000000	31-01-124430
CCOC(=O)c1c(NC(=O)[C@H]2CC(=C(C)C[C@@H]2C(=O)O)C)sc2c1CCCCC2	ZINC22_17091911,PC-id_27525540,CoCoCo_6834480	419.534	LSRKKSQGFAMUAG-HOTGVXAUSA-N	00000000100011000100000000000010000000000000000000000000	31-01-124431
CCOC(=O)c1c(NC(=O)[C@H]2CC(=C(C)C[C@H]2C(=O)O)C)sc2c1CCCCC2	ZINC22_17091913,CoCoCo_6834481,PC-id_27525544	419.534	LSRKKSQGFAMUAG-JKSUJKDBSA-N	00000000100011000100000000000010000000000000000000000000	31-01-124432
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCC2	CoCoCo_6814676,PC-id_40438168,ZINC22_2765236	419.534	INLYLINKPDKDEZ-LSDHHAIUSA-N	00000000100011000100000000000010000000000000000000000000	31-01-124433
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCC2	CoCoCo_6814677,ZINC22_2765238,PC-id_40438172	419.534	INLYLINKPDKDEZ-GJZGRUSLSA-N	00000000100011000100000000000010000000000000000000000000	31-01-124434
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCC2	PC-id_40438170,ZINC22_2765237,CoCoCo_6814678	419.534	INLYLINKPDKDEZ-HUUCEWRRSA-N	00000000100011000100000000000010000000000000000000000000	31-01-124435
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCC2	PC-id_40438174,CoCoCo_6814675,ZINC22_2765239	419.534	INLYLINKPDKDEZ-CABCVRRESA-N	00000000100011000100000000000010000000000000000000000000	31-01-124436
c1(NC(=O)c2ccc(cc2)c2ccccc2)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_2086420,MCULE-3090448981,PC-id_1744764,SPECS-id_AK-968/13031238,TIMTEC316352,CoCoCo_6813179,EMOLS-id_4101666	419.536	MQOGHLRRDLCBGM-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-124437
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCCCC2)c1C(=O)OC	ZINC22_4901983,PC-id_2932462,MCULE-1917723115,TOSLab_8548,CoCoCo_902904,EMOLS-id_2443833	419.536	BBWBMGSOCYKWAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124438
Cc1ccc(cc1)C(=O)c1c(NC(=O)OCc2ccccc2)sc2CCCCCc12	EMOLS-id_331279719	419.536	FFUTVYBPFOSKMP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124439
O=C(NNC(=O)c1cc2c(s1)CCCCC2)NC[C@H](c1cccc(c1)F)[NH+](C)C	GD-id_ZINC49798411	419.536	IFUUHGOZMQQODU-QGZVFWFLSA-O	00000000100000110100000000000010000000000000000000000000	31-01-124440
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(c2ccccc2)cccc1)C	PC-id_16509424	419.536	BLZPZZZHADDXFE-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-124441
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1	PC-id_7352115	419.536	IFNTZIZEQOOMRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124442
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(c2ccccc2)cccc1)C	PC-id_7352006	419.536	BLZPZZZHADDXFE-KRWDZBQOSA-N	00000000100000110100100000000010000000000000000000000000	31-01-124443
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(c2ccccc2)cccc1)C	PC-id_7352007	419.536	BLZPZZZHADDXFE-QGZVFWFLSA-N	00000000100000110100100000000010000000000000000000000000	31-01-124444
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)c1ccccc1)C(=O)OCC	PC-id_4582625	419.536	MHMOAKKLPPLDFL-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-124445
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(Cc2ccccc2)cc1)C(=O)OC	PC-id_3430575	419.536	FDRVEHBNGHAEAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124446
O=C(c1c(C)c(c2-c1ccccc2)Cc1scc(n1)c1ccccc1)c1ccccc1	PC-id_139814866	419.537	POCZZHGBIIDCOX-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-124447
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/C1CCCCC1)C(=O)OCC	PC-id_19661120	419.538	SJESUQOMOGHDEB-LPYMAVHISA-N	00000000100010000100000000000010000000000000000000000000	31-01-124448
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=CC1CCCCC1)C(=O)OCC	PC-id_73635562	419.538	SJESUQOMOGHDEB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-124449
c1(c2CCCCCc2sc1N=Cc1cccnc1)C(=O)Nc1ccccc1OCC	MCULE-6024237365,PC-id_3341351	419.539	MMJQBNFCPJEPAV-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-124450
c1(NC(=O)c2ccccc2C)sc2c(CCCCC2)c1C(=O)NCc1cccnc1	PC-id_576754,ZINC22_1001481,EMOLS-id_2395780,CoCoCo_778784,TIMTEC179575,MCULE-7291084567	419.539	GUBOEUCFZMVLBJ-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-124451
C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2n(CC1)c(nn2)CCc1ccccc1	PC-id_28360190,GD-id_ZINC19794994	419.539	WTXQTXFLCNYJEU-IBGZPJMESA-O	00000010100000110101000000001010000000000000000000000000	31-01-124452
CCN(CC[N+]1=CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1c(C)ccc2)CC	PC-id_145511570	419.539	NLJFWLOJCLPPAX-UHFFFAOYSA-O	00000010100000100110000000001010000000000000000000000000	31-01-124453
CCOc1ccccc1NC(=O)c1c2CCCCCc2sc1/N=C/c1cccnc1	EMOLS-id_46413523,ZINC22_101892575,PC-id_9665081,CoCoCo_6728500	419.539	MMJQBNFCPJEPAV-WGOQTCKBSA-N	00000000100000111100000000000010000000000000000000000000	31-01-124454
CCOc1ccccc1NC(=O)c1c(/N=Cc2cccnc2)sc2c1CCCCC2	TIMTEC312546,CoCoCo_6728501,ZINC22_4545634	419.539	MMJQBNFCPJEPAV-QQXSKIMKSA-N	00000000100000111100000000000010000000000000000000000000	31-01-124455
O1c2cc(CC(C[NH+]3CCn4c(nnc4CCc4ccccc4)CC3)C)ccc2OC1	PC-id_74556144	419.539	WTXQTXFLCNYJEU-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-124456
O1c2cc(C[C@H](C[NH+]3CCn4c(nnc4CCc4ccccc4)CC3)C)ccc2OC1	PC-id_28360188	419.539	WTXQTXFLCNYJEU-LJQANCHMSA-O	00000010100000110101000000001010000000000000000000000000	31-01-124457
s1c2c(CCCCC2)c(c1NC(=O)CCc1ccccc1)C(=O)Nc1ncccc1	PC-id_76332148	419.539	ACGKUXIWVPCLSR-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-124458
s1c2CCCCCc2c(c1NC(=O)CCNC(c1ccccc1)c1occc1)C#N	PC-id_84829705	419.539	DSTZUWUIVFANAU-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-124459
s1c2CCCCCc2c(c1NC(=O)CCN[C@@H](c1ccccc1)c1occc1)C#N	PC-id_8755302	419.539	DSTZUWUIVFANAU-QHCPKHFHSA-N	00000000101000110100000000000010000000000000000000000000	31-01-124460
s1c2CCCCCc2c(c1NC(=O)CCN[C@H](c1ccccc1)c1occc1)C#N	PC-id_8755304	419.539	DSTZUWUIVFANAU-HSZRJFAPSA-N	00000000101000110100000000000010000000000000000000000000	31-01-124461
CC(C(c1nnc2n1CCN(CC2)Cc1ccc2c(c1)CCO2)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL65514687	419.541	RNVPXSKRVNEXJD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-124462
CSCCC(C(=O)NCCCc1nnc2n1CCCCC2)NC(=O)c1ccco1	PC-id_86884607	419.541	SZQOYVXAINUHDB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-124463
S(=O)(=O)(N(C(C)C)C)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55535770	419.541	MWCJXRIHIJBSEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124464
S(=O)(=O)(NCCC(=O)NCCc1n2CCCCCc2nn1)c1c(ccc(c1)C)C	PC-id_55534603	419.541	KDFFGKSCSIGTGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124465
S(=O)(=O)(NCCC(=O)NCCc1n2CCCCCc2nn1)c1cc(c(cc1)C)C	PC-id_55535768	419.541	GZIBELBFXOGJNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124466
S(=O)(=O)(N(CC(=O)NCCc1n2CCCCCc2nn1)C)c1cc(c(cc1)C)C	PC-id_55550110	419.541	GHPNEZDOUDXJIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124467
C=CCN1C(=CS/C/1=C(c1nnc2n1CCCCC2)/C#N)c1ccc(cc1)OCC	CoCoCo_3729272,PC-id_2314960	419.542	LDSNGCZYDAXOBG-NMWGTECJSA-N	00000011100000110101100000000010000000000000000000000000	31-01-124468
C=CCN1C(=CS/C/1=C(/c1nnc2n1CCCCC2)C#N)c1ccc(cc1)OCC	CoCoCo_3729273,ChEMBL-DNDi_CHEMBL1619667,PC-id_2314961	419.542	LDSNGCZYDAXOBG-FCDQGJHFSA-N	00000011100000110101100000000010000000000000000000000000	31-01-124469
N#Cc1c(CCCNC(=O)c2cc3c(s2)CCCCC3)nn(c2ccccc2)c1N	MCULE-1605185549,ZINC22_31566353,PC-id_38784815,CoCoCo_4763369,EMOLS-id_30009125	419.542	QTQVKQCLNZQLQM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124470
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc(Cn2nccc2)ccc1)C)C#N	PC-id_55629877	419.542	RLBKPERJZLSHHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124471
C=CCN1C(=CSC1=C(c1nnc2n1CCCCC2)C#N)c1ccc(cc1)OCC	MCULE-6734274166,PC-id_4247061	419.543	LDSNGCZYDAXOBG-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-124472
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccccc1)CC(C)C)c1cccnc1	PC-id_74801126	419.543	HUMSOBDLBBVFEO-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-124473
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccccc1)CC(C)C)c1cccnc1	PC-id_42407071	419.543	HUMSOBDLBBVFEO-OAQYLSRUSA-O	00000000100000111101000000000010000000000000000000000000	31-01-124474
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccccc1)CC(C)C)c1cccnc1	PC-id_42407073	419.543	HUMSOBDLBBVFEO-NRFANRHFSA-O	00000000100000111101000000000010000000000000000000000000	31-01-124475
CCOC(=O)c1sc(nc1C)C(NC(=NC)NCc1nnc2n1CCCCC2)C	PC-id_109694247	419.544	SNXADIZJLWXVSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124476
S(CC1=NC2N(CCCC)C(=O)NC(=O)C2N1CC)c1n2CCCCCc2nn1	PC-id_73253590	419.544	CWKIYAWDFULUSH-UHFFFAOYSA-N	00000011100010000101000000000110000000000000000000000000	31-01-124477
OCC1CC(O)CC(O1)c1cc(ccc1N(CC)CC)Cc1cc2-c(c1)ccccc2	PC-id_142858212	419.556	YLHJUZKBPWVPLD-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-124478
s1c2c(CCCCC2)c(c1NC(=O)CCSc1ccc(OC)cc1)C(=O)OC	PC-id_41324951	419.557	PUILVEJENPESBE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124479
s1c2c(CCCCC2)c(c1NC(=O)CSc1ccc(OC)cc1)C(=O)OCC	PC-id_41320594	419.557	MEHBCNSJGJVDPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124480
s1c2CCCCCCc2cc1C(=O)OC(C(=O)c1sc(cc1)CNC(=O)C)C	PC-id_46645024	419.557	YMIMEUXHSSPTRJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124481
s1c2CCCCCCc2cc1C(=O)OCC(=O)c1sc(CCNC(=O)C)cc1	PC-id_18100911	419.557	LCQRADAOKZMBDC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124482
s1c2c(CCCCC2)c(C(=O)NC2CCCCC2)c1NC(=O)CC(CC(=O)[O-])C	PC-id_74534232	419.558	XMZPCPLLZQAJEA-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-124483
s1c2c(CCCCC2)c(C(=O)NC2CCCCC2)c1NC(=O)C[C@H](CC(=O)[O-])C	PC-id_27525661	419.558	XMZPCPLLZQAJEA-CQSZACIVSA-M	00000000100010000100000000000010000000000000000000000000	31-01-124484
s1c2c(CCCCC2)c(C(=O)NC2CCCCC2)c1NC(=O)C[C@@H](CC(=O)[O-])C	PC-id_27525663	419.558	XMZPCPLLZQAJEA-AWEZNQCLSA-M	00000000100010000100000000000010000000000000000000000000	31-01-124485
BrC(c1sc2c(CCCCC2)c1)c1sc(Br)c(c1)C	PC-id_79990846	420.226	SLLMPMRIKQOZPW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124657
c1(NC(=O)CSc2nc(C)cc(C)n2)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_6825803,CoCoCo_6614104,PC-id_5300793,ZINC22_4745154,MCULE-9801429500	419.561	WJWJQHVNZSRXFQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-124486
Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_24023455,MCULE-1589432070,PC-id_42933518	419.561	QQGFYUQUVBFVET-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124487
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc3c(s2)CCCCC3)cc1	PC-id_30254685,CoCoCo_4546107,ZINC22_22375063	419.561	QQGFYUQUVBFVET-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124488
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc3c(s2)CCCCC3)cc1	ZINC22_32885726,CoCoCo_4546106,PC-id_40120738	419.561	QQGFYUQUVBFVET-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124489
C=C/C=Cc1n/c/2=C(C)/C(=C/CC/C=C/C(=c2/[nH]1)/N(c1ccccc1)c1ccccc1)/C	PC-id_143872394	419.561	PHWANZWKNQUPPT-LUJUDWBXSA-N	00000000100000110111000000000010000000000000000000000000	31-01-124490
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CCCCC2)CCN1CCOCC1	PC-id_58054147,SCHEMBL10090969	419.561	XSFDVGRPJTZZER-LJQANCHMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124491
n1(nnc2c1CCCCCC2)/C(=C(Cc1ccccc1)/c1ccccc1)/c1ccccc1	PC-id_23238473	419.561	ZCPQDLMNLRFKSD-PBBVDAKRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124492
n1(nnc2c1CCCCCC2)/C(=C(/Cc1ccccc1)c1ccccc1)/c1ccccc1	PC-id_23238474	419.561	ZCPQDLMNLRFKSD-WCTVFOPTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124493
n1(nnc2c1CCCCCC2)C(=C(Cc1ccccc1)c1ccccc1)c1ccccc1	PC-id_74024356	419.561	ZCPQDLMNLRFKSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124494
O1CCN(CCc2n3c(CCCCC3)c(n2)C(=O)NC(C(C)(C)C)C(=O)NC)CC1	PC-id_76680374	419.561	XSFDVGRPJTZZER-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124495
O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1nc2c(s1)CCCCC2	MCULE-3683049995,PC-id_25593549,CoCoCo_4758691,EMOLS-id_44079352,ZINC22_12907138	419.561	FUCVVGQGVDTVGO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-124496
O=C(Nc1nc2CCCCCc2s1)c1ccc(cc1)S(=O)(=O)N1CCCCC1	EMOLS-id_323440845,MCULE-8157361185	419.561	XARCTLCDMPMSNU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124497
O=C(Nc1nc2CCCCCc2s1)C1CCCN(C1)S(=O)(=O)c1ccccc1	EMOLS-id_323359482,MCULE-7632980105	419.561	CMURNGIHDXLZQK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124498
O=C(Nc1nc2CCCCCc2s1)C1CCN(CC1)S(=O)(=O)c1ccccc1	MCULE-8034882572,EMOLS-id_323464540	419.561	WOYJMDHXUQHVDJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124499
s1c2CCCCCc2cc1C(=O)NN=C(c1ccc(S(=O)(=O)N(C)C)cc1)C	PC-id_78620890	419.561	VXJDKEFTJARTPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124500
s1c2CCCCCc2cc1C(=O)N/N=C(c1ccc(S(=O)(=O)N(C)C)cc1)/C	PC-id_8159745	419.561	VXJDKEFTJARTPU-STZFKDTASA-N	00000000100000110100000000000010000000000000000000000000	31-01-124501
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(cc(n1)C)C)C(=O)OC	PC-id_24029056	419.561	SMQHCOCONXWGMJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-124502
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1nc(cc(n1)C)C)C)C(=O)OC	PC-id_24108308	419.561	BAUJSQPPVHPSHK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-124503
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCCNC(=O)c1ccsc1	PC-id_24643161	419.561	JCEDXZBYIIQSDM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124504
s1c2CCCCCCc2cc1C(=O)NNC(=O)CC(NC(=O)C)c1sccc1	PC-id_55494564	419.561	BMGCNTCNQXTYGY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124505
s1c2CCCCCCc2nc1NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1	PC-id_60571920	419.561	WMDWWBQPZUYVKO-FYWRMAATSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124508
s1c2CCCCCCc2nc1NC(=O)CCNS(=O)(=O)C=Cc1ccccc1	PC-id_76869122	419.561	WMDWWBQPZUYVKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124509
S1(=O)(=O)CCN(CC1)C(c1ccccc1)C(=O)Nc1sc2CCCCCc2n1	PC-id_56574482	419.561	AGZBGLVQOSEBGX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124510
S1(=O)(=O)CC(N(CCC(=O)Nc2sc3c(CCCCC3)c2C#N)CC#C)CC1	PC-id_56541247	419.561	SPJFOOAEWHHYMU-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-124511
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S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2CCCCCCc2n1)c1ccccc1	PC-id_56020957	419.561	CJLAJQMRLYHMCP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124513
S(=O)(=O)(N1CCCCC1)c1c(C(=O)Nc2sc3CCCCCc3n2)cccc1	PC-id_55507349	419.561	MPOFEVOYEJPWDC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124514
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)c1cccnc1	PC-id_40277413	419.561	QMHUNLFUKUWBDW-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-124515
CC1(C)[C@H]2CC=C(CN3CCc4nnc(CNC(=O)Cc5ccccc5)n4CC3)[C@@H]1C2	CoCoCo_1440027,PC-id_26320653,ZINC22_14958269,CoCoCo_1440026,MCULE-1696331679,EMOLS-id_26010725	419.562	OPWUIBOCODMACJ-SFTDATJTSA-N	00001000100011110101001000000010000000000000000000000000	31-01-124516
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O=C(NCc1n2CCN(CC3=CCC4C(C3C4)(C)C)CCc2nn1)Cc1ccccc1	PC-id_74496054	419.562	OPWUIBOCODMACJ-UHFFFAOYSA-N	00001000100011110101001000000010000000000000000000000000	31-01-124518
O=C(NCCc1n2CCCCCc2nn1)c1c(n(c(c1)C)c1cc(C(C)C)ccc1)C	PC-id_52212306	419.562	HQXSEGADTGFZOD-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-124519
C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc4n3CCCCC4)c2C(=O)N)C1	CoCoCo_3081637,PC-id_7876881,ZINC22_6097430	419.564	MIHDVESDDIEHOJ-LLVKDONJSA-N	00000000100010000101000000010010000000000000000000000000	31-01-124520
C[C@H]1CCc2c(sc(NC(=O)CSc3nnc4n3CCCCC4)c2C(=O)N)C1	ZINC22_6097435,PC-id_7876883,CoCoCo_3081636	419.564	MIHDVESDDIEHOJ-NSHDSACASA-N	00000000100010000101000000010010000000000000000000000000	31-01-124521
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(C1)NC(=O)OC(C)(C)C	PC-id_111730469	419.564	XFPBBCPPMMXPOC-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-124522
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)C(=O)OCC	PC-id_111328232	419.564	JIYBXCWIGIHNKD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124523
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CN(C1)C(=O)OC(C)(C)C	PC-id_109466322	419.564	VIQNXPYDYGVJMZ-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-124524
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O=C(Nc1sc2c(c1C(=O)N)CCC(C2)C)CSc1nnc2n1CCCCC2	PC-id_16232732,MCULE-1329397228,SCHEMBL21045534,EMOLS-id_2885540	419.564	MIHDVESDDIEHOJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-124527
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1n(CCCC)c(=O)[nH]n1)C)C#N	PC-id_8574375	419.564	ZIJIMTCFPYUVMI-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124528
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1n(CCCC)c(=O)[nH]n1)C)C#N	PC-id_8574386	419.564	ZIJIMTCFPYUVMI-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124529
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(CCCC)c(=O)[nH]n1)C)C#N	PC-id_78727530	419.564	ZIJIMTCFPYUVMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124530
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(CCCOC)cnn1)C)C#N	PC-id_78819721	419.564	XGFBMBICZUZXGG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124531
S(c1n2CCCCCc2nn1)CC(=O)N(CC(=O)Nc1c(SC)cccc1)C	PC-id_7876860	419.564	RMFCNZZEGQKPRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124532
c1(cc2c(CCCCC2)s1)C(=O)N1CCCC(C1)N1CCN(CC1)C(=O)OCC	PC-id_45211564,EMOLS-id_20578651,MCULE-5165329438	419.581	RECPFKAKZQMDOP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-124533
CC(C(C(=O)NNC(=O)c1cc2c(s1)CCCCC2)NC(=O)C1CCCCC1)C	EMOLS-id_44032672,MCULE-3452768517,PC-id_18290642	419.581	GPUQLMKDQSMAHF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-124534
CC([C@@H](C(=O)NNC(=O)c1cc2c(s1)CCCCC2)NC(=O)C1CCCCC1)C	CoCoCo_4518817,PC-id_41512696	419.581	GPUQLMKDQSMAHF-IBGZPJMESA-N	00000000100010000100000000000010000000000000000000000000	31-01-124535
CC([C@H](C(=O)NNC(=O)c1cc2c(s1)CCCCC2)NC(=O)C1CCCCC1)C	PC-id_41512699,CoCoCo_4518818	419.581	GPUQLMKDQSMAHF-LJQANCHMSA-N	00000000100010000100000000000010000000000000000000000000	31-01-124536
CCOC(=O)N1CCN([C@H]2CCCN(C(=O)c3cc4c(s3)CCCCC4)C2)CC1	CoCoCo_1386448,ZINC22_55197867,PC-id_25365550	419.581	RECPFKAKZQMDOP-SFHVURJKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-124537
CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)c3cc4c(s3)CCCCC4)C2)CC1	ZINC22_55197863,CoCoCo_1386449,PC-id_25365544	419.581	RECPFKAKZQMDOP-GOSISDBHSA-N	00000000100010000101100000000010000000000000000000000000	31-01-124538
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c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)C(C)C)CCn12	PC-id_45220060,ChEMBL-DNDi_CHEMBL54658412,MCULE-2984858524,EMOLS-id_20614833	419.584	OOVKUCMUSMVPRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124540
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3c(C)cc(c(C)c3)C)CCn12	MCULE-5538484822,ChEMBL-DNDi_CHEMBL34859999,PC-id_45201216,EMOLS-id_20533881	419.584	ALRQIXCJEXXWHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124541
c1(NC(=S)NC(=O)C=Cc2cccs2)sc2c(CCCCCC2)c1C(=O)N	MCULE-1471598930,PC-id_4366700	419.584	POTOTZWHPRSVDO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124542
Cc1cc(C)c(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1C	PC-id_29213152,CoCoCo_1320164,CoCoCo_1320165,ZINC22_20910042	419.584	ALRQIXCJEXXWHI-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124543
Cc1cc(C)c(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1C	ZINC22_20910045,PC-id_29213155,CoCoCo_1320166,CoCoCo_1320167	419.584	ALRQIXCJEXXWHI-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124544
CC(C)c1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	CoCoCo_1440295,PC-id_26320728,ZINC22_14958394,CoCoCo_1440296	419.584	OOVKUCMUSMVPRK-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124545
CC(C)c1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	CoCoCo_1440298,CoCoCo_1440297,ZINC22_14958398,PC-id_26320731	419.584	OOVKUCMUSMVPRK-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124546
CC(C)Cc1ccc(CN2CCc3nnc(CNS(=O)(=O)C(C)C)n3CC2)cc1	CoCoCo_1131186,ZINC22_23129384,PC-id_30852962,CoCoCo_1131187,MCULE-1777211887,ChEMBL-DNDi_CHEMBL11564567,EMOLS-id_20399542	419.584	HFPPXSFQYHVOOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124547
NC(=O)c1c(NC(=S)NC(=O)/C=C/c2cccs2)sc2c1CCCCCC2	PC-id_1933049,EMOLS-id_26282437,ZINC22_2316453,STOCK2S-75478	419.584	POTOTZWHPRSVDO-MDZDMXLPSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124548
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C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4181786,PC-id_8973176,ZINC22_7853854	419.587	SHVAQWQZYZLFCR-JTQLQIEISA-N	00100000100000000101000000000010000000000000000000000000	31-01-124550
C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_8973186,CoCoCo_4181787,ZINC22_7853864	419.587	SHVAQWQZYZLFCR-SNVBAGLBSA-N	00100000100000000101000000000010000000000000000000000000	31-01-124551
CN=C(N(Cc1csc(n1)C(OC)C)C)NCCCc1nnc2n1CCCCC2	PC-id_109455296	419.587	QZPPPIHZHHRTLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124552
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s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1sc(NCC=C)nn1)C)C#N	PC-id_8573935	419.587	MPEPOPBWZZAQOG-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124555
s1c2CCCCCc2c(c1NC(=O)C(Sc1sc(NCC=C)nn1)C)C#N	PC-id_78727464	419.587	MPEPOPBWZZAQOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124556
s1c2CCCCCCc2cc1C(=O)Nc1scc(n1)Cc1n(c(=S)[nH]n1)C	PC-id_46579330	419.587	VWSGACXREQREFV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124557
s1c2CCCCCCc2nc1NC(=O)C(n1c(n[nH]c1=S)c1sccc1)C	PC-id_56352732	419.587	UJNRAQSSOOTTSO-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-124558
N#CCCn1cnc2c1N=CN(C[C@H]2O[Si](C(C)(C)C)(C)C)C(=O)OC(C)(C)C	SCHEMBL4164426,PC-id_68938619	419.593	HNCWDNDXOOWALZ-OAHLLOKOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-124559
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Cc1ccc(cc2-c1c(/C=C(/c1ccc(cc1)N(C)C)c1ccccc1)cc2C)C(C)C	PC-id_101761619	419.6	ZTOUXTRVYJGGMK-TWKHWXDSSA-N	00000010100000110110000000000010000000000000000000000000	31-01-124561
CC(c1ccc(c2-c(c1)c(C)cc2/C(=C/c1ccc(cc1)N(C)C)/c1ccccc1)C)C	PC-id_102332946	419.6	NJKVMXJKKSOOJL-VUTHCHCSSA-N	00000010100000110110000000000010000000000000000000000000	31-01-124562
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c1(NC(=O)c2cccs2)sc2c(CCCCCCCCCC2)c1C(=O)OCC	SPECS-id_AK-968/36936060,EMOLS-id_8247269,ZINC22_2766178,PC-id_4603674,MCULE-4757615480,SPECS-id_AN-153/J117416,CoCoCo_6923011	419.601	HZBOIJLSWZKKFK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124563
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CCCCC1CCCCCCc2cc1c(C=C1N=C(C=C1OC)c1cccn1C)n2C	SCHEMBL3887111,PC-id_68827282	419.602	RLNAQDDQVAVDPS-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-124565
CCCCC1CCCCCCc2cc1c(/C=C
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CCCCC1CCCCCCc2cc1c(C=C1N=C(C=C1OC)c1ccc[nH]1)n2CC	SCHEMBL7656793,PC-id_136430430	419.602	DNSTWPFVDRJYRL-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-124567
CCCCC1CCCCCCc2cc1c(n2CC)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_88181387	419.602	AEXHVVIMSJXSBO-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-124568
CCCCC1CCCCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC	PC-id_87588227	419.602	XBLHBIWWHGVGIE-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-124569
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CCCCC1CCCCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC	PC-id_136414734,SCHEMBL3872476	419.602	CNQPFTFOUAOLIS-NLRVBDNBSA-N	00000011110000000100100000000010000000000000000000000000	31-01-124571
CCCCCc1c2CCCCCCCc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OCC	PC-id_88182100	419.602	ZITFRXRDWZWNJF-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-124572
CCCCCc1c2CCCCCCCc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OCC	PC-id_136484970,SCHEMBL7661219	419.602	XOTWHHMHUAKZAC-NLRVBDNBSA-N	00000011110000000100100000000010000000000000000000000000	31-01-124573
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CCCCCC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OCC	PC-id_136657847	419.602	BLSUCCXEQISVRQ-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-124575
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CCCCCn1c2CCCCCCCCc(c1C=C1N=C(C=C1OC)c1ccc[nH]1)c2	SCHEMBL7666392	419.602	DNBLQGYWYZKBOK-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-124582
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COC1=CC(=N/C/1=C/c1c2cc(n1C)CCCCCCCCC2CC)c1cccn1C	SCHEMBL3874564,PC-id_68822646	419.602	GKDKCPAOXKNMPD-HKOYGPOVSA-N	00000011110000000100100000000010000000000000000000000000	31-01-124584
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N1=C(C=C(/C/1=C/c1[nH]c2cc1C(CCCCCCCC2)CC(C)C)OC)c1ccc[nH]1	PC-id_136738617,CNP0074181	419.602	FMYDORNOPXGCEO-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-124586
O(c1/c(=C/c2[nH]c3cc2C(CCCCCCCC3)CC(C)C)/[nH]/c(=C/2N=CC=C2)/c1)C	PC-id_50985825	419.602	FZOGNJSRIPZZCX-ZDSFCLCXSA-N	00000011110000000100100000000010000000000000000000000000	31-01-124587
CCNC(=NCc1nnc2n1CCCCC2)NCC(N1CCOCC1)C(CC)CC	PC-id_111936431	419.607	NLSJOSCMXKYVPC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124588
CCNC(=NCC1OCCN(C1)CC(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111369003	419.607	WDPALQGYXUATIU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124589
CCNC(=NCC(N1CCOCC1)C(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111930898	419.607	HBKDGTZKMWFAPD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124590
CN=C(NC1CCN(CC1)CCOC(C)C)NCCCc1nnc2n1CCCCC2	PC-id_112083421	419.607	HTYZUWPJJIDPDF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124591
CN=C(NCC(N1CCOCC1)CC(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111935247	419.607	WUDKMCMICPLDCV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124592
COCCCN1CCC(CC1)NC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_112079595	419.607	QNCYXESIUMMPET-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124593
CCC(C)C(C)S(=O)(=O)CC1CCC(CC1)N=C1c2cccn2CCC(=CN1)C	PC-id_137152933	419.624	LHRVPAOLRAPMBE-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-124594
CN1CCCC2=C(C1)SC(=CC=CC1N(C3=C(S1)C[N+](CCC3)(C)C)C)N2C	PC-id_87910384,SCHEMBL6148326	419.67	MRSPGHZEXMNEEG-UHFFFAOYSA-N	00000011000000000111000000000110000000000000000000000000	31-01-124595
Clc1c([N+](=O)[O-])cc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_73664826	419.882	JZOBOKSCOVVIGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124596
NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCCC2	ZINC22_32125320,PC-id_20166094	419.882	JZOBOKSCOVVIGM-VQHVLOKHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124597
Clc1ccc(NC(=O)c2c3CCCCCc3sc2NC(=O)CCC(=O)[O-])cc1	PC-id_6961128	419.902	YXHCZKGTYLISLW-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-124598
CC(C)C(=O)NCCc1nnc2CCN(CCn12)C(=O)COc1ccc(Cl)cc1	ZINC22_11881890,ChEMBL-DNDi_CHEMBL11155324,EMOLS-id_20396410,MCULE-9609971785,PC-id_42247886,CoCoCo_1127021	419.905	SXXBLWHLNDDIFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124599
Clc1ccc(cc1)OCCN1CCN(CC1)C(=O)C1CCCCc2n1c(=O)[nH]n2	MCULE-4986227468,EMOLS-id_207869292	419.905	PJJDNPGHIOHLKB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124600
Clc1c(CN2CCn3c(nnc3C(NC(=O)C(C)C)C)CC2)cc2OCOc2c1	PC-id_45166600	419.905	YTWQGXXCUCZBQJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-124601
Clc1cc(N2CC(NC(=O)Cn3nc4n(CCCCC4)c3=O)CC2)c(OC)cc1	PC-id_56394935	419.905	AEQOTTMNRSHNGT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-124602
Clc1c(C(=O)N(CC)CC)ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c1	PC-id_55673151	419.905	LYGNHASMMJBWLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124603
Clc1ccc(cc1)S(=O)(=O)NC=C(c1ccc2-c1ccccc2)c1ccccc1	PC-id_142734115	419.923	KHZQBTIKVZIFPA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-124604
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2ccc(c(Cl)c2)OC)C1	EMOLS-id_323395238,MCULE-6574895909	419.925	QUUKCTWKIKFBEW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-124605
Clc1ccc(C(=O)NCCC(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_9301269	419.925	OBVWNUPRRMAJBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124606
Clc1cc(C(=O)NCC(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc1	PC-id_25444103	419.925	QQELXXHFWFIHGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124607
Clc1c(C(=O)NCCC(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_9301265	419.925	LULWDZMFESVHEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124608
Clc1c(C(=O)NCC(=O)NNC(=O)c2sc3CCCCCCc3c2)cccc1	PC-id_24643165	419.925	CKKUOGVAIIBIPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124609
COc1ccc(Cl)cc1N1CC(CC1=O)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_323359927,MCULE-2101577964	419.925	SXFCSRFXSAEANZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-124610
Clc1cc2[nH]c(nc2cc1)[C@@H](NC(=O)c1sc2CCN(CCc2n1)C)COC	SCHEMBL8130027,PC-id_25117937	419.928	MONVLLADPJILMH-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-124611
Clc1c(nc(N2CCCC2)nc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_52181461	419.928	YCOORLOMEGMWRB-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-124612
Clc1ccc(cc1)c1n[nH]cc1C[N@H+]1CCn2c(CC1)nnc2Cc1ccccc1	GD-id_ZINC12219126	419.93	WYKVNGCUZSPEBW-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-124613
C/C=C(C=C/1N(C)CCc2c(C1C)sc(c2)C(=O)Nc1c(N)cccc1Cl)/F	PC-id_142511887	419.943	RTNUSXSUBINNSA-XXZCJJBSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124614
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(Cl)c2c(cccc2)s1	CoCoCo_228680,ZINC22_2361441,MCULE-1094892601,PC-id_1973444,STOCK3S-29727,EMOLS-id_1363119,BAS-02052741	419.945	OWKGRNBTBBSCSL-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-124615
C1CCCc2c(CC1)c(n[nH]2)C(=O)NC(C=Cc1cc(ccc1)Cl)c1ccccc1	PC-id_90758122	419.946	BDBJIWYHVKWTIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124616
CC(c1ccccc1)NC(=O)c1c2CCCCCC(=Cc3cc(ccc3)Cl)c2n[nH]1	PC-id_91206282	419.946	QRHPDPQRBMLIAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124617
Clc1cc(/C=C/2CCCCCc3c2n[nH]c3C(=O)N[C@@H](c2ccccc2)C)ccc1	PC-id_24967203,SCHEMBL13011102	419.946	QRHPDPQRBMLIAV-FABDANFUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124618
Clc1cc(/C=C/2CCCCCc3c2n[nH]c3C(=O)N[C@H](c2ccccc2)C)ccc1	SCHEMBL13011107,PC-id_24966846	419.946	QRHPDPQRBMLIAV-AWZALFRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124619
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1n(ncc1C#N)c1ccccc1	PC-id_56220406	420.484	QJWGAUKJLARXEZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124733
Clc1cccc(c1)C=C1CCCCCc2c1c(n[nH]2)C(=O)N[C@H](c1ccccc1)C	PC-id_142701354	419.946	CREXVYPYFJSZLJ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124620
Clc1cccc(c1)C=C1CCCCCc2c1c(n[nH]2)C(=O)N[C@@H](c1ccccc1)C	PC-id_142701356	419.946	CREXVYPYFJSZLJ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124621
Clc1cc(/C=C/[C@H](NC(=O)c2n[nH]c3CCCCCCc23)c2ccccc2)ccc1	PC-id_25070523	419.946	BDBJIWYHVKWTIB-BQXQKYNTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124622
Clc1cc(/C=C/[C@@H](NC(=O)c2n[nH]c3CCCCCCc23)c2ccccc2)ccc1	PC-id_25070524	419.946	BDBJIWYHVKWTIB-SFZDQAMXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124623
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccccc3Cl)CCn12	MCULE-5503370988,ChEMBL-DNDi_CHEMBL16937565,PC-id_45178975,EMOLS-id_20436855	419.948	OPVHDHOLWNXRPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124624
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1Cl)CC2	CoCoCo_1182196,CoCoCo_1182197,PC-id_28392369,ZINC22_19838633	419.948	OPVHDHOLWNXRPD-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124625
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1Cl)CC2	ZINC22_19838631,PC-id_28392367,CoCoCo_1182199,CoCoCo_1182198	419.948	OPVHDHOLWNXRPD-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124626
O=C(Cn1c(S)nnc1c1ccc(Cl)cc1)Nc1nc2c(s1)CCCCC2	CoCoCo_4564209,ZINC22_12829163,EMOLS-id_75943152,PC-id_17476015	419.951	HPHBIXACVAOHEG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124627
CN(CC(=O)Nc1nc2c(s1)CCCCC2)S(=O)(=O)c1ccc(Cl)s1	PC-id_29859369,MCULE-6606576823,ZINC22_21902150,CoCoCo_4546173,EMOLS-id_29586012	419.97	NTHHFCYCSYJODD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-124628
OC(=O)C(CCCCC(c1ccccc1Cl)N1CCCc2c(C1)ccs2)(C)C	SCHEMBL19333092	420.008	PMBRIVKVNNXROX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124629
CC[I-]N(Cc1cn2C=CC(C=Cc2n1)(C)P)CC(=O)O	PC-id_163753213	420.034	BCOKTSPVJUSZRY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-124630
CC1=C(C2=C(S1)CC=NC(=N2)NC3=CN(N=C3)C4CCN(CC4)C)Br	PC-id_164019528	420.073	UYEVGFJDAZKWJI-UHFFFAOYSA-N	00000000100010000111100000000010000000000000000000000000	31-01-124631
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@@H](C=C)O	PC-id_154682283	420.09	IGNHLISKWOWIGW-ZIAGYGMSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124632
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@H](C=C)O	PC-id_155062018	420.09	IGNHLISKWOWIGW-KGLIPLIRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124633
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)[C@H](C=C)O	PC-id_155258023	420.09	IGNHLISKWOWIGW-KBPBESRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124634
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)[C@@H](C=C)O	PC-id_155258024	420.09	IGNHLISKWOWIGW-UONOGXRCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124635
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)C(C=C)O	PC-id_154682220	420.09	IGNHLISKWOWIGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124636
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@](NS2(=O)=O)(CO)C=C	PC-id_154682040	420.09	VNOLSZTUMFMRCV-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124637
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)(CO)C=C	PC-id_155062054	420.09	VNOLSZTUMFMRCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124638
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@](NS2(=O)=O)(CO)C=C	PC-id_155062079	420.09	VNOLSZTUMFMRCV-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124639
CC(C)C(C1=CC=C2C(=C(C(=C2C(=O)OC)NC(=O)C)C(=O)OC)C=C1)(O)[PH+]=O	PC-id_153720644	420.121	AAMBBYNLIWIRQS-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-124640
CC1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(NC3=CC(=C(C=C3)F)C#N)O)CC=C	PC-id_155062005	420.127	OSHKVBNXKPUBSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124641
CC(C)([C@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682121	420.127	IPIDXNDJDSCSDA-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124642
CCN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@H](NS2(=O)=O)[C@H](C)O	PC-id_151751892	420.127	ROSQUFPWDCVDKW-MEDUHNTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-124643
CN1C=C2C(=C1C(NC3=CC(=C(C=C3)F)C#N)O)CC[C@H](NS2(=O)=O)[C@@H](C=C)O	PC-id_155062086	420.127	SETUVRVFOKGAHN-GWFKTICUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124644
CN1C=C2C(=C1C(NC3=CC(=C(C=C3)F)C#N)O)CC[C@@](NS2(=O)=O)(CO)C=C	PC-id_155062103	420.127	ZQCBBUKRTZTSKV-MUMRKEEXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124645
CC1(CC#C[CH]1)OC(=O)N2C[C@@H]3[C@H](C2)C3CCNC(=O)C4=CC5=CC=CC=CC5=[S+]4	PC-id_153559976	420.15	ZCXTWXQMWFZGRT-JHFJLTJKSA-O	00100011100000000110010000000010000000000000000000000000	31-01-124646
Brc1cc(sc1Br)C(=O)c1sc2CCCCCc2c1	PC-id_80532424	420.182	YNSMSKNGDNIXRY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124647
Brc1c(scc1Br)C(=O)c1sc2CCCCCc2c1	PC-id_79602226	420.182	FPXREFBMKCKZKZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124648
Brc1sc(Br)cc1C(=O)c1sc2CCCCCc2c1	PC-id_43463811	420.182	FDWUQEGSNLPSLD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124649
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=C(SN=C3)C	PC-id_155203706	420.183	NILPNIHVPMTCAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124650
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)CC3=CSC(=N3)C	PC-id_155203722	420.183	JVGCHYMJRVISRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124651
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)CC3=NSC(=C3)C	PC-id_155203866	420.183	MBXXMVVSGIAHCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124652
CC1C=CC2=C(C=C1)OC(=C2)C(=O)NCCC3[C@H]4[C@@H]3CN(C4)C(=O)C5=CC=C(C=C5)F	PC-id_153560145	420.185	CTYHTZPMJJHNQC-RHFPHTTRSA-N	00100010100000110110010000000010000000000000000000000000	31-01-124653
C1CN(CC2=C1CN=N2)C(=O)C3=CN4CCN(CCC4=N3)C(=O)OCC5=CC=CC=C5	PC-id_162165807	420.191	ZNCMGUFSOYWZPO-UHFFFAOYSA-N	00000011100011110101000000000110000000000000000000000000	31-01-124654
BrC(c1cc(c(s1)C)Br)c1cc2c(s1)CCCCC2	PC-id_113742847	420.226	BBVQLTPBOKTFGI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124655
BrC(c1sc2c(CCCCC2)c1)c1c(sc(Br)c1)C	PC-id_65632860	420.226	WRWZRZJMZMUDTQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124656
CC1=CN(N=C(CC1)C(=O)NC1CCn2cnc(c2N(C1=O)C)C)Cc1ccccc1	PC-id_163664282	420.227	IXAXXPANXSKGCR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-124659
CC(C)C(C(=O)CC1CC2=CC(=NN2)CCNC(=O)C1=O)NC(=O)OCC(C)(C)C	PC-id_147683066	420.237	GPMPKWRXKHZTOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124660
C/C=C(C=C)/C1=NC(=C2N1CCCCC2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC	PC-id_155080365	420.253	PQQATWQOPNXWLF-PTXOJBNSSA-N	00000000100010110101100000000010000000000000000000000000	31-01-124661
O=C(CCNC(=O)c1ccc(Br)cc1)NCc1nnc2n1CCCCC2	ZINC22_14485147,CoCoCo_4336658,EMOLS-id_44001927,PC-id_45859657,MCULE-7094786718	420.304	CTOXKSOVYOQWBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124662
O=C(CNC(=O)c1ccc(cc1)Br)NCCc1nnc2n1CCCCC2	PC-id_112812245	420.304	UIWVLURHKPYVDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124663
CC(C)c1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1	BindingDB_PC-id_71748064,BindingDB-id_300538,SCHEMBL15282651,PC-id_71748064	420.327	DINILBUSTAPYDB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-124664
Clc1nc(Cl)ccc1S(=O)(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_56251815	420.334	WAFRCHUBAAAYLX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-124665
NS(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CCCCC3)c(Cl)cc1Cl	PC-id_32081575,ZINC22_24767961,MCULE-4672718108,CoCoCo_4564237,EMOLS-id_18870424	420.334	OYWBPPCEGUPXTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124666
O=C1CCC(=O)Oc2c(O1)c(Cn1ncc(c1)c1ccc(c(c1)C(F)F)F)nn2C	PC-id_140810680	420.342	MVTGSDFFXBWQDC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124667
O=C1CCC(=O)Oc2c(O1)c(Cn1ncc(c1)c1cccc(c1)C(F)(F)F)nn2C	PC-id_140810691	420.342	LVQYFMDDFPXROI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124668
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N	PC-id_4341051	420.346	OQTVRLBDJVWNCR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-124669
FC(F)(F)c1cc(C(=O)NCCc2n3CCCCCc3nn2)cc(c1)C(F)(F)F	PC-id_60360808	420.352	LBRMKZPQZBEFJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124670
Brc1ccc(N2CCN(CC2)C(=O)c2sc3c(CCCCC3)c2)nc1	PC-id_35373468	420.366	PKRMYLUQAGNIEQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-124671
FC(F)(F)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(n2nccc2)cc1	PC-id_55582166	420.388	YMUZZBVAJIOITO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124672
Fc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)c(F)ccc1F	PC-id_42357273	420.408	AXUQMBDDHFNTNU-GFCCVEGCSA-O	00000000101000110101000000000010000000000000000000000000	31-01-124673
Fc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)c(F)ccc1F	PC-id_42357277	420.408	AXUQMBDDHFNTNU-LBPRGKRZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-124674
Fc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)c(F)ccc1F	PC-id_74798905	420.408	AXUQMBDDHFNTNU-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-124675
O=c1ccccc2c1onc2/C=C/c1ccc(cc1)/C=C/c1noc2c1ccccc2=O	PC-id_101556996	420.416	SFGTYXUVXPTGNG-WXUKJITCSA-N	00000000100000110111000000000010000000000000000000000000	31-01-124676
C=C/C=C(C=CNCCn1/c(=C/C=C(CC)/Cl)/c(=C/Cl)/c2c1CCNCC2)/C	PC-id_142130644	420.418	NGVKRCRVXTVIJV-NLTSTLJHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-124677
C[C@H](C(=O)O)CNC(=O)c1cc2n(n1)CCCN(C2=O)CCN1C(=O)CNCC1=O	PC-id_141815021	420.42	TVDQMCDYGCZPBF-NSHDSACASA-N	00000000100010000101000000000010000000000000000000000000	31-01-124678
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(OC(F)F)cc1)C#N	PC-id_40910331	420.43	GYRPPVGAHGMNQU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124679
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(OC(F)F)ccc1)C#N	PC-id_41985594	420.43	KXUSQCQFAXFLHI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124680
Fc1ccc(cc1)OCCn1c(COc2ccc(cc2)C(=O)O)nc2c1C=CC=CC2	PC-id_142221158	420.433	CLIHHGVNTIYABC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-124681
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)C(=O)/C=C/c1ccccn1	ChEMBL-DNDi_CHEMBL18387527	420.44	VDSSYDRUCXJKCK-BQYQJAHWSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124682
Fc1cc(/C=C/C(=O)N2CCn3c(nnc3CNC(=O)c3ccncc3)CC2)ccc1	PC-id_42322688	420.44	YCKNOOSTNLKLDB-SNAWJCMRSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124683
Fc1cc(C=CC(=O)N2CCn3c(nnc3CNC(=O)c3ccncc3)CC2)ccc1	PC-id_74792084	420.44	YCKNOOSTNLKLDB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124684
FC(F)(F)c1cc(Cc2nc(on2)C[NH+](Cc2n[nH]c3c2CCCCC3)C)ccc1	PC-id_42518402	420.451	ZYHGLEBNGXAIMQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124685
C1/C(=C/C[C@@H](Cc2c(cc([C@@H]([C@@](CC1=O)(O)C)O)o2)C(=O)OC)C(=C)C)/C(=O)OC	CMNPD22846	420.453	HJICDHWDZRBKQD-ZVGAFSKRSA-N	00000000100000000110000000000010000000000000000000000000	31-01-124686
C=C(C)[C@H]1C/C=C(/C(=O)OC)C(O)C(=O)C[C@@](C)(O)Cc2cc(C(=O)OC)c(o2)C1	BindingDB_PC-id_44584505,CHEMBL515174	420.453	IJDFHOFWIDWFDX-MXYPDLRGSA-N	00000000100000000110000000000010000000000000000000000000	31-01-124687
COC(=O)/C/1=C/C[C@@H](Cc2oc(C[C@@](CC(=O)[C@H]1O)(C)O)cc2C(=O)OC)C(=C)C	UNPD193551	420.453	IJDFHOFWIDWFDX-KFVFCDCKSA-N	00000000100000000110000000000010000000000000000000000000	31-01-124688
COC(=O)C1=CC[C@@H](Cc2oc([C@@H]([C@](CC(=O)C1)(C)O)O)cc2C(=O)OC)C(=C)C	UNPD229526,PC-id_71530022	420.453	HJICDHWDZRBKQD-MCVWCKRISA-N	00000000100000000110000000000010000000000000000000000000	31-01-124689
o1c2C[C@@](O)(CC(=O)C(O)C(=CC[C@@H](Cc1c(c2)C(=O)OC)C(=C)C)C(=O)OC)C	PC-id_23427587	420.453	IJDFHOFWIDWFDX-RDQDBZGDSA-N	00000000100000000110000000000010000000000000000000000000	31-01-124690
o1c2C[C@](O)(CC(=O)C(O)C(=CC[C@@H](Cc1c(c2)C(=O)OC)C(=C)C)C(=O)OC)C	PC-id_44584505	420.453	IJDFHOFWIDWFDX-MQSMNPCJSA-N	00000000100000000110000000000010000000000000000000000000	31-01-124691
O=C(OC)c1cc2oc1CC(C(=C)C)C/C=C(/C(=O)OC)CC(=O)CC(O)(C)C2O	PC-id_78100384,CNP0211537	420.453	HJICDHWDZRBKQD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-124692
O=C(OC)c1cc2oc1CC(C(=C)C)C/C=C(/C(=O)OC)C(O)C(=O)CC(O)(C)C2	PC-id_74052423,CNP0225662	420.453	IJDFHOFWIDWFDX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-124693
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@@H]1CCS(=O)(=O)C1	PC-id_92750645	420.458	ZZAQEBJNQABGMG-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124694
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@H]1CCS(=O)(=O)C1	PC-id_92750646	420.458	ZZAQEBJNQABGMG-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124695
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(O)(C)C	SCHEMBL18353467	420.458	IPIDXNDJDSCSDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124696
ONCC(=O)c1cc2-c(c1CCC(=O)N[C@@H](C(=O)O)Cc1ccccc1)ccccc2	PC-id_140404173	420.458	IVUMUHJKLBJFFQ-OAQYLSRUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-124697
S1(=O)(=O)CC(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccc(F)cc2)CC1	PC-id_50797857	420.458	ZZAQEBJNQABGMG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124698
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2oc3c(c2)cccc3)ccc1	PC-id_42191418	420.459	GJMUPPNCFLOTAC-UHFFFAOYSA-O	00000000100000110101000001000010000000000000000000000000	31-01-124699
[O-]c1ccc(cc1)C(=c1[c-]2C=CC=CC=c2n(c1=O)C)c1c2-c(n(c1=O)C)ccccc2	PC-id_101755335	420.459	QGQJJAKJEJPVLY-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-124700
O=C1C=CC(=C(c2c3-c(n(c2=O)C)ccccc3)c2c3-c(n(c2=O)C)ccccc3)C=C1	PC-id_101753374	420.459	PSSNHKJVMSLJGT-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-124701
O=c1n2CCCCCc2nn1CC(=O)NCC(O)COc1c(OC)cccc1OC	PC-id_56091452	420.46	YGBAWYMOFPHYLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124702
c12c(C)nn(C)c1OCC=CCN(C(=O)c1ccccc1)C2C(=O)NCc1ccco1	MCULE-4365536575	420.461	WKSOPKFZNRUJSH-UHFFFAOYSA-N	00000000101000110111000000000010000000000000000000000000	31-01-124703
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1OC)OC)c2)Cc1ccccc1	PC-id_53086333,MCULE-1858877391,EMOLS-id_32632762	420.461	QTZBHYMFCYBZPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124704
O=c1n2CCCCCc2nn1CC(=O)Oc1cc(C(=O)NCc2ccccc2)ccc1	PC-id_55577409	420.461	XOXACTJAFSPEPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124705
O=C(C1N(C/C=CCOc2c1c(C)nn2C)C(=O)c1ccccc1)NCc1ccco1	EMOLS-id_264817507	420.461	WKSOPKFZNRUJSH-SREVYHEPSA-N	00000000101000110111000000000010000000000000000000000000	31-01-124706
COc1ccc(CC(=O)N2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1	CoCoCo_1190743,MCULE-1955412222,EMOLS-id_20442993,PC-id_26274666,ZINC22_14878906	420.464	TUKMHLYATXEJLL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124707
COC(=O)c1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1	EMOLS-id_20653307,ZINC22_19865522,MCULE-7544930522,PC-id_28409776,CoCoCo_1498685,CoCoCo_1498686	420.464	KHVMQHWBSBGDQH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124708
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(ccc1)C(=O)NCc1ncccc1	PC-id_55783717	420.464	XXAVKJKCPBBWCV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124709
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(NC(=O)c2ccncc2)ccc1	PC-id_55904748	420.464	CAQYFEKWAHKHIO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124710
CCN1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20696003,PC-id_86270155	420.471	CNAOBUCCRBIHDK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-124711
CCN(CC1=CCC(=O)N(c2c1c(C)nn2C)Cc1cccc(c1)C(F)(F)F)CC	PC-id_20899729,CoCoCo_2342551	420.471	GHXYYFSGWRXGBW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-124712
CC(OC(=O)C1=CN(CC(c2c1sc(n2)C)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659786	420.473	KIGATXAHVAYAPK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-124713
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)CC)c2)Cc1ccc(cc1)F	PC-id_20964774,MCULE-6360479960,CoCoCo_2544608,EMOLS-id_16324760	420.479	DYVOHZMISNDPLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124714
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)CC)c2)Cc1cccc(F)c1	MCULE-9914439031,EMOLS-id_32633070,PC-id_53034551	420.479	BXJJINCGQIIBOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124715
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(C)ccc1C)c2)Cc1ccc(cc1)F	MCULE-5245523575,EMOLS-id_16324730,CoCoCo_2544591,PC-id_20964759	420.479	GJMMKOVIZPQKMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124716
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)C)c2)Cc1ccc(cc1)F	EMOLS-id_16324718,MCULE-1782419670,CoCoCo_2544584,PC-id_20964753	420.479	ROOFIUCYTWOBNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124717
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1C)c2)Cc1ccc(cc1)F	EMOLS-id_16324750,MCULE-8538026179,PC-id_20964769,CoCoCo_2544603	420.479	XXRXJUHSZYMZBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124718
c12C(=O)N(CCCn1nc(C(=O)NCCc1cccc(C)c1)c2)Cc1cccc(F)c1	EMOLS-id_32633012,MCULE-5931204286,PC-id_53034542	420.479	WIAMLQLUYGFIIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124719
c12C(=O)N(CCCn1nc(C(=O)NCCCc1ccccc1)c2)Cc1ccc(cc1)F	PC-id_50797846,EMOLS-id_32846192,MCULE-1504708378	420.479	GLZMASDTLCVHBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124720
c12C(=O)N(CCCn1nc(C(=O)NCCCc1ccccc1)c2)Cc1cccc(F)c1	PC-id_53034524,EMOLS-id_32632944,MCULE-7741532333	420.479	KZCNSJTVFBCDOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124721
C1CC1CN1CCNc2c(C1=O)n(c(n2)COc1cc(ccc1)F)Cc1ccccc1	PC-id_134805246	420.479	RESVTPQHMWULEL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-124722
c1(NC(=O)c2c3CCCCCc3on2)sc(c(C)c1C(=O)OCC)C(=O)OCC	MCULE-3605259789,PC-id_22427618,EMOLS-id_15972080	420.479	HMTBZUDBBLPDIP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-124723
Fc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)Nc1ccc(cc1)C(C)C	PC-id_53034537,MCULE-2942239773,EMOLS-id_32632982	420.479	XDQOEHDFIJVUTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124724
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCCc1cccc(c1)C	PC-id_20964758,CoCoCo_2544590	420.479	ZBOUNBBFZFKOQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124725
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(c2ccccc2)C)cc1	PC-id_50797924	420.479	WBEAIPFTHRBPIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124726
S(c1n(CC(=O)NCCc2n3CCCCCc3nn2)c2c(n1)cccc2)C(F)F	PC-id_60389563	420.479	JGKWDDIAQJFDLU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-124727
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1occc1c1ccccc1)C#N	PC-id_27187321	420.481	KCHCCNVTWINRAS-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-124728
c1(N(=O)=O)c(C)nn(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1C	CoCoCo_212695,BAS-01840888,EMOLS-id_1348614,PC-id_1126335,SPECS-id_AK-968/12116511,MCULE-5738066411,ZINC22_865291,TIMTEC437337	420.483	RVSLEZLFMSLKDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124729
c1(N(=O)=O)c(C)nn(CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)c1C	EMOLS-id_8244859,PC-id_1222085,SPECS-id_AK-968/12265118,ZINC22_997659,MCULE-9883830117,CoCoCo_6920131	420.483	ZXFWMXVSQWUGBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124730
S(c1n2CCCCCc2nn1)CC(=O)Nc1oc(c(c1C(=O)OCC)C(=O)C)C	PC-id_8211625	420.483	YXWPTEDVFOLSAY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-124731
o1c(C[NH+]2CCn3c(nnc3CNC(=O)c3c(oc(c3)C)C)CC2)cc2c1cccc2	PC-id_42364562	420.484	IZJGNFAYYFMUCX-UHFFFAOYSA-O	00000000101000100101000001000010000000000000000000000000	31-01-124732
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(n2nccc2)cc1)C#N	PC-id_29517273	420.484	FXQAXLKPWSFWIC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124734
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c([nH]nc1)c1ccccc1)C#N	PC-id_55490770	420.484	YEJSTBGEWBCWHF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124735
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)c1cccnc1	PC-id_55614209	420.486	HQRSTVPPFSWBPS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-124736
S(=O)(=O)(NC1CC1)c1ccc(NNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56503774	420.486	LSZACUMEOYUXRU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-124737
CCNC(=NCc1ccccc1OC(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111865634	420.499	IGQGOUIPBUUTNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124738
CCNC(=NCc1cc(C)ccc1OC(F)F)NCCc1nnc2n1CCCCC2	PC-id_109660749	420.499	CVOGIKDSHANWCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124739
CCNC(=NCCCc1nnc2n1CCCCC2)NCCOc1ccc(cc1F)F	PC-id_112084297	420.499	NWXWNAFLDINFAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124740
CN=C(N(Cc1ccc(cc1)OC(F)F)C)NCCCc1nnc2n1CCCCC2	PC-id_111288719	420.499	WZNHQBUPWWAGSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124741
CN=C(NCc1cc(C)ccc1OC(F)F)NCCCc1nnc2n1CCCCC2	PC-id_109659873	420.499	DAXWPBWFBQQVGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124742
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)N1CCN(CC1)c1ccccc1F	EMOLS-id_33087330,PC-id_53182937,MCULE-9093422276	420.501	HDFOEBZYDNEYQK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-124743
CCOC(=O)c1c2-c(cc(ccc2)OC(C)C)c(c1O)C=Nc1ccc(cc1)N(C)C	PC-id_136834141	420.501	DYKBSQZWRMWOSJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-124744
CCOC(=O)c1c(c(c2-c1cc(ccc2)OC(C)C)C=Nc1ccc(cc1)N(C)C)O	PC-id_136834140	420.501	YFEBJNGAIKTTGR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-124745
COCc1c(C)oc2c1c(c(O)cccccc2)C(c1ccncc1)N1CCOCC1	SCHEMBL19528687	420.501	CFJRLLSSLVBPJC-UHFFFAOYSA-N	00000000100010101111000000000010000000000000000000000000	31-01-124746
Fc1ccc(cc1)N1CCN(CC1)CCCn1ccc2c1C(=O)CCNS2(=O)=O	PC-id_9910042,SCHEMBL6829754	420.501	XUVYMMGOMQPZRF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-124747
Fc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NCc1n[nH]c2CCCCCc12	MCULE-8407077911,EMOLS-id_222772660	420.501	ODWJIAZGTAPDON-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124748
O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1	ZINC22_670454187	420.501	ODWJIAZGTAPDON-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-124749
O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1	ZINC22_670454188	420.501	ODWJIAZGTAPDON-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124750
s1c2c(CCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])ccc(SC)c1)C(=O)OC	PC-id_52638597	420.502	WIIUPEPQXYAEEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124751
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1sc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_4461819	420.502	RXCVGMOITMTMMO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124752
O(C(=O)N1CCC(CC1)CCN1CCCn2nc(cc2C1=O)C(=O)OC)C(C)(C)C	PC-id_10693432	420.503	DGUPXVDPNYUYED-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124753
s1c2CCCCCc2cc1C(=O)OCC(=O)C1C(=[N+](CCC)C(=O)N(C1=O)C)N	PC-id_78518123	420.503	JFNZQGYOFAHETA-UHFFFAOYSA-O	00000000100011000101000000000010000000000000000000000000	31-01-124754
Cc1ccc(NC(=O)C2CCc3nn(CCOc4ccccc4)c(=O)n3CC2)c(C)c1	EMOLS-id_207876611,MCULE-6798472778	420.504	NWDIMYRIQHEROK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124755
Cc1ccc(Oc2ccc(OCC(=O)N(C)Cc3nnc4n3CCCCC4)cc2)cc1	EMOLS-id_18822395,ZINC22_12740326,MCULE-3448885688,PC-id_25473955,CoCoCo_4631862	420.504	PKYWRRUKIKRHEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124756
CN(Cc1ccccc1)C(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	EMOLS-id_207876632,MCULE-1046675030	420.504	LVLDNNQKZBLMPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124757
COc1ccc(cc1)C[C@@H]1CCc2cnnn2COC[C@@H](NC1=O)Cc1ccccc1	PC-id_54649818,CHEBI:127671	420.504	ZTXIXZGWFUPFTL-SFTDATJTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124758
COc1ccc(cc1)C[C@@H]1CCc2cnnn2COC[C@H](NC1=O)Cc1ccccc1	PC-id_54649819,CHEBI:126981	420.504	ZTXIXZGWFUPFTL-LEWJYISDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124759
COc1ccc(cc1)C[C@H]1CCc2cnnn2COC[C@@H](NC1=O)Cc1ccccc1	PC-id_54649820,CHEBI:128785	420.504	ZTXIXZGWFUPFTL-RTWAWAEBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124760
COc1ccc(cc1)C[C@H]1CCc2cnnn2COC[C@H](NC1=O)Cc1ccccc1	PC-id_54649821,CHEBI:130218	420.504	ZTXIXZGWFUPFTL-NHCUHLMSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124761
COc1ccc(cc1)C[C@@H]1CCn2nnc(c2)COC[C@@H](NC1=O)Cc1ccccc1	CHEBI:127429,PC-id_54649817	420.504	DGLSYQHHAPLUOV-SFTDATJTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124762
COc1ccc(cc1)C[C@H]1CCn2nnc(c2)COC[C@@H](NC1=O)Cc1ccccc1	CHEBI:128377,PC-id_54649816	420.504	DGLSYQHHAPLUOV-RTWAWAEBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124763
COc1cc(c(cc1)OC)CN1CCc2ncc(n2CC1)C(=O)NCc1ccccc1	PC-id_134810103	420.504	XAOMRZAIPOVMMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124764
O1C[C@H](NC(=O)[C@H](CCn2nnc(c2)C1)Cc1ccc(OC)cc1)Cc1ccccc1	PC-id_71758854	420.504	DGLSYQHHAPLUOV-NHCUHLMSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124765
O1C[C@H](NC(=O)[C@@H](CCn2nnc(c2)C1)Cc1ccc(OC)cc1)Cc1ccccc1	PC-id_71760183	420.504	DGLSYQHHAPLUOV-LEWJYISDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124766
O1CC(NC(=O)C(CCc2n(nnc2)C1)Cc1ccc(OC)cc1)Cc1ccccc1	PC-id_76161087	420.504	ZTXIXZGWFUPFTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124767
O1CC(NC(=O)C(CCn2nnc(c2)C1)Cc1ccc(OC)cc1)Cc1ccccc1	PC-id_76161086	420.504	DGLSYQHHAPLUOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124768
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(cc1)COCc1ccccc1	PC-id_55694680	420.504	ROAYBRXLESZRHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124769
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(COCc2ccccc2)ccc1	PC-id_55693873	420.504	JNSYXAJTUJTWFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124770
O=c1n2CCCCCc2nn1CC(=O)NC(c1ccc(OCC)cc1)c1ccccc1	PC-id_55659254	420.504	WGVBGRINOKECHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124771
O=c1n2CCCCCc2nn1CC(=O)NCc1c(COCc2ccccc2)cccc1	PC-id_55694529	420.504	PYMAFOASUJMKGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124772
O=c1n2CCCCCc2nn1CC(=O)NCCc1ccc(OCc2ccccc2)cc1	PC-id_55749904	420.504	IIABWMPSAXUMOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124773
O=CCOCc1cc(/C=C/C(=O)N(Cc2cc3c(n2C)CC=CC=C3)C)cnc1NC	PC-id_143482342	420.504	FJPRINRLOVSROE-MDZDMXLPSA-N	00000000100000101110000000000010000000000000000000000000	31-01-124774
O(CC(=O)NCCc1n2CCCCCc2nn1)c1ccc(OCc2ccccc2)cc1	PC-id_55534600	420.504	PQHPFJSXASMRLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124775
C1CCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625406	420.506	INKXGHJZURNDKZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124776
s1c2c(CCCCC2)c(c1NC(=S)Nc1ncc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_19686462	420.506	QYUJPEKSMKLPFK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-124777
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ncc([N+](=O)[O-])cc1)C(=O)OC	PC-id_19686455	420.506	GBWCAZKIQXFHOV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-124778
C1CCc2nnc(n2CC1)/C(=C(/CN1CCC(CC1)C(=O)Nc1ccccc1)O)/C#N	PC-id_135778411	420.507	LAGXVNSAXJQKPY-VXPUYCOJSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124779
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(CC=Cc3ccco3)CCn12	MCULE-9630711146,PC-id_75102330	420.507	PJDJCZSEFNJXMG-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-124780
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C/C=C/c1ccco1)CC2	CoCoCo_1610076,ZINC22_15000403,CoCoCo_1610074	420.507	PJDJCZSEFNJXMG-GZNAHNRGSA-N	00000000101000101101000000000010000000000000000000000000	31-01-124781
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C/C=C/c1ccco1)CC2	CoCoCo_1610078,CoCoCo_1610080,ZINC22_15000405	420.507	PJDJCZSEFNJXMG-XYASWCNUSA-N	00000000101000101101000000000010000000000000000000000000	31-01-124782
CC(C)C(NC(=O)c1ccccn1)c1nnc2CCN(C/C=C/c3ccco3)CCn12	EMOLS-id_44854979,PC-id_45246881	420.507	PJDJCZSEFNJXMG-FNORWQNLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-124783
CC([C@H](c1nnc2n1CCN(CC2)C/C=Cc1ccco1)NC(=O)c1ccccn1)C	CoCoCo_1610075,CoCoCo_1610073	420.507	PJDJCZSEFNJXMG-JEUZPXFCSA-N	00000000101000101101000000000010000000000000000000000000	31-01-124784
CC([C@@H](c1nnc2n1CCN(CC2)C/C=Cc1ccco1)NC(=O)c1ccccn1)C	CoCoCo_1610077,CoCoCo_1610079	420.507	PJDJCZSEFNJXMG-JKTFDMFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-124785
CC(C)Oc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1	ZINC22_19837293,EMOLS-id_20432819,ChEMBL-DNDi_CHEMBL16290778,MCULE-5826315765,CoCoCo_1176400,PC-id_28390782,CoCoCo_1176401	420.507	CJQDGXLTVQXQHF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124786
CCN(Cc1ccncc1)C(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	MCULE-1832093625,EMOLS-id_207877209	420.507	LESSGPTYQWFZJJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-124787
CN(CCc1ccccn1)C(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	MCULE-7658216055,EMOLS-id_207877266	420.507	LQUOELJAPYVEHD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-124788
COc1cccc(c1)CN1CCc2n(CC1)c(nn2)CNC(=O)CCc1cccnc1	ChEMBL-DNDi_CHEMBL28851692	420.507	RKRQVXOVHPGHNV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124789
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cccc(C)n3)CCn12	ChEMBL-DNDi_CHEMBL19538513,EMOLS-id_20453527,CoCoCo_1205175,CoCoCo_1205174,PC-id_26278675,ZINC22_14882782,MCULE-6560293904	420.507	FSMVQKHQZWUFAN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124790
COc1cc(C)c(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1C	ZINC22_19885281,CoCoCo_1504346,MCULE-4937981161,CoCoCo_1504345,PC-id_28431580,ChEMBL-DNDi_CHEMBL66989145,EMOLS-id_20656919	420.507	HOUZWBRFDTVFFR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124791
COc1cc(C)c(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1C	ChEMBL-DNDi_CHEMBL32100493,MCULE-4532556201,CoCoCo_1301624,PC-id_29153149,EMOLS-id_20520965,CoCoCo_1301625,ZINC22_20783283	420.507	FVKRLWFDJDDDMG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124792
COc1ccc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1C	CoCoCo_1184959,ZINC22_19839239,CoCoCo_1184960,MCULE-9498111600,EMOLS-id_20438865,PC-id_28393094	420.507	DXIGVQRDIHPTEX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124793
COc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1	ZINC22_20993720,CoCoCo_1339211,MCULE-1618043899,EMOLS-id_20547031,ChEMBL-DNDi_CHEMBL37737328,PC-id_29254518,CoCoCo_1339212	420.507	NIHOUZDMLDZDNH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124794
O=C(Nc1ccccc1)C1CCN(CC1)CC(=O)C(=C1N2CCCCCC2=NN1)C#N	PC-id_84935288	420.507	IXERYBDDSUBEFF-UHFFFAOYSA-N	00000011000010110111000000000010000000000000000000000000	31-01-124795
O=C(Nc1ccccc1)C1CCN(CC1)CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_9134648	420.507	IXERYBDDSUBEFF-ZBJSNUHESA-N	00000011000010110111000000000010000000000000000000000000	31-01-124796
O=C(NCCc1n2CCCCCc2nn1)c1c(Nc2ccc(OCC)cc2)nccc1	PC-id_55535240	420.507	ZJCNXZQECVFQAR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124797
n12CCCCCc1nnc2/C(=C/c1c(nn(c1)Cc1ccccc1)c1ccccc1)/C#N	PC-id_39974660	420.509	ZCYLOTMHVHQCOZ-CJLVFECKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124798
n12CCCCCc1nnc2C(=Cc1c(nn(c1)Cc1ccccc1)c1ccccc1)C#N	PC-id_74669872	420.509	ZCYLOTMHVHQCOZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124799
CC1(c2c(cc(cc2)Nc2nn3C=CN=C(Cc3n2)N(C)C2CCCNC2)NC1=O)C	PC-id_134356427,SCHEMBL19982926	420.511	UBCLENVZCXWDKA-UHFFFAOYSA-N	00000010100010100111000000001010000000000000000000000000	31-01-124800
c1(NC(=O)c2c(cccc2F)F)sc2c(CCCCCCCCCC2)c1C(=O)N	SPECS-id_AK-968/15603056,ZINC22_2759762,MCULE-3670649001,TIMTEC156536,EMOLS-id_4102776,CoCoCo_6786461,PC-id_3278478	420.516	FUFWJHKSYGYSHC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124801
OCC(OCC1(COC(CO)(CO)C)COc2c(OC1)c(sc2C)C)(CO)C	PC-id_57857290,SCHEMBL13104081	420.518	PCTNSGBHSNLFJQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124802
c1(NC(=O)CCCS(=O)(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C#N	ZINC22_10218932,EMOLS-id_5624624,PC-id_18585977,CoCoCo_5189848,MCULE-2335829122	420.521	PFVLAWBHCQRIPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124803
c1(NC(=S)NC(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	CK1334466,CoCoCo_715129,MCULE-2718190685,EMOLS-id_2114487,STOCK2S-75739,ZINC22_2316580,PC-id_1933170	420.521	SGIOPCGMAWWYHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124804
COCCN1Cc2c(ccs2)N(CCC1=O)CC(COc1ccc(cc1)OC)O	PC-id_134787084	420.522	YYQSZOORWISWHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124805
c1(c2CCCCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1OC	MCULE-6336535304,CoCoCo_81748,ZINC22_970531,EMOLS-id_1230967,SPECS-id_AG-690/12883437,PC-id_1202858,BAS-00486770	420.524	QDDBOIOWXJTSPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124806
c1(c2CCCCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)OC	PC-id_1002869,EMOLS-id_1230947,BAS-00486751,MCULE-2896101229,CoCoCo_81738,ZINC22_659402,CK1555685,SPECS-id_AG-690/12883422	420.524	BIOPJJZTFJVTBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124807
c1(c2CCCCCc2sc1NC(=O)COc1ccccc1)C(=O)Nc1ccccc1	PC-id_2298744,ZINC22_3002535,EMOLS-id_2375343,MCULE-7167176696,CoCoCo_706344	420.524	WROQMZQIIZRPON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124808
COc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCCc2c1ccs2	SCHEMBL8797250,PC-id_57081091	420.524	KWVMJKRRCLLTEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124809
COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1	MCULE-1177149394,EMOLS-id_3341401,PC-id_2461653,ZINC22_3345086,CoCoCo_3179504	420.524	DPAVGWIQYSXOPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124810
NC(=O)c1c(NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCCCC2	PC-id_22777408,ZINC22_17092290	420.524	DPYNLKDJMLCWJD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124811
NC(=O)c1c(NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCCCC2	ZINC22_32125141,PC-id_20166068	420.524	AHFGALZFZJCXJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124812
O=C(c1c(sc2c1CCCCC2)NC(=O)c1ccccc1O)NCc1ccccc1	PC-id_145965517	420.524	MPWCQOKIOIJRKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124813
s1c2CCCCCc2cc1C(=O)Nc1c(cccc1)C(=O)Nc1cc(OC)ccc1	PC-id_18288685	420.524	OUSBLGMKRAJKDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124814
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NC	PC-id_7475105	420.524	CVNASCXLVXMBQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124815
s1c2c(CCCCC2)c(c1NC(=O)c1cc(Oc2ccccc2)ccc1)C(=O)NC	PC-id_7475103	420.524	YUUODKCHVHZIKD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124816
s1c2CCCCCCc2cc1C(=O)Nc1cc2CCN(c2cc1)C(=O)c1ccoc1	PC-id_56363120	420.524	LRDKJVCDZGQUQX-UHFFFAOYSA-N	00000010101000100100000000001010000000000000000000000000	31-01-124817
s1c2c(CCCCCC2)c(c1NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N	PC-id_76314617	420.524	JMXUGRHVJBTQPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124818
CCOc1ccc(cc1)S(=O)(=O)N(C)C1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-2122024176,EMOLS-id_97041975	420.526	KKDWBSCBFNPLHW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-124819
COCCN(c1c(=O)[nH]c(=O)n(c1N)CCC)C(=O)c1cc2c(s1)CCCCC2	CoCoCo_3354274,ChEMBL-DNDi_CHEMBL1905800,PC-id_24819848	420.526	HASTZVFLLDKKSS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-124820
Fc1ccc(C2NNCC2CN2CCn3c(nnc3CCc3ccccc3)CC2)cc1	PC-id_74580056	420.526	HASQGVVRFYPMAZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-124821
s1c2CCCCCc2cc1C(=O)NNC(=O)CCC(=O)N1CCN(CC1)C(=O)C	PC-id_9163634	420.526	FUTDFEWXUMOUCK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124822
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCCN1C(=O)C(NC1=O)(C)C	PC-id_24514862	420.526	SHINHKAZBBUJAH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-124823
s1c2CCCCCCc2cc1C(=O)NNC(=O)CN1C(=O)C(NC1=O)(CC)CC	PC-id_46523849	420.526	RCVHLEKXPLBAKB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-124824
s1c2c(CCCCCC2)c(c1NC(=O)CSc1nc(cc([O-])n1)C)C(=O)OC	PC-id_44171460	420.526	CICTYRJQAYSBLK-UHFFFAOYSA-M	00000000100000100101000000000010000000000000000000000000	31-01-124825
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)SC)c2)Cc1ccccc1	EMOLS-id_32846058,MCULE-8845515174,PC-id_50798043	420.527	XYISVKKLBWUVCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124826
Cc1ccc(cc1)S(=O)(=O)N1CC(=CCc2c1nnn2Cc1ccccc1)C(=C)C	PC-id_102324347	420.527	NDQRODWKWFYFNM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-124827
CC(=O)c1cccc(c1)NC(=O)C(c1ccccc1)Sc1nnc2n1CCCCC2	PC-id_16291048,MCULE-2067528675,EMOLS-id_3593584	420.527	VPWDFOVABZMNLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124828
CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1	ZINC22_6097059,PC-id_7876654,CoCoCo_3081389	420.527	VPWDFOVABZMNLF-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124829
CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1	ZINC22_6097061,PC-id_7876656,CoCoCo_3081390	420.527	VPWDFOVABZMNLF-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124830
CN(c1ncccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2)C	PC-id_142627634	420.527	VQYURMZKUQQTGD-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-124831
o1c(/C=C(/C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(cccc3)C)C)CC2)C)ccc1	PC-id_42212229	420.527	CAPFZVDNLCGGMR-POWXATIXSA-O	00000000101000110101000000000010000000000000000000000000	31-01-124832
o1c(/C=C(/C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(cccc3)C)C)CC2)C)ccc1	PC-id_42212231	420.527	CAPFZVDNLCGGMR-LQATUXICSA-O	00000000101000110101000000000010000000000000000000000000	31-01-124833
o1c(C=C(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(cccc3)C)C)CC2)C)ccc1	PC-id_74781654	420.527	CAPFZVDNLCGGMR-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-124834
OC(=C)c1cccc(c1)NC(=O)[C@@H](c1ccccc1)Sc1nnc2n1CCCCC2	CoCoCo_3081391	420.527	XFFPEXSMSKEHAB-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124835
OC(=C)c1cccc(c1)NC(=O)[C@H](c1ccccc1)Sc1nnc2n1CCCCC2	CoCoCo_3081392	420.527	XFFPEXSMSKEHAB-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124836
O=C(N1CCc2c(CC1)nc(s2)C(=O)NCc1ccccc1)NCc1ccccc1	PC-id_97524677	420.527	DTNYCSGNSJCBEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124837
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)COc1ccccc1	PC-id_74800063	420.527	YIMIOBFTYNVDFQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124838
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C)C)COc1ccccc1	PC-id_74801090	420.527	NHKRLBWZHJZZIL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124839
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C)COc1ccccc1	PC-id_42452789	420.527	UMPABHHHSCQFBO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124840
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)COc1ccccc1	PC-id_42370213	420.527	YIMIOBFTYNVDFQ-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124841
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cccc1)C)C)COc1ccccc1	PC-id_42370217	420.527	YIMIOBFTYNVDFQ-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-124842
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C)C)COc1ccccc1	PC-id_42406806	420.527	NHKRLBWZHJZZIL-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-124843
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C)C)COc1ccccc1	PC-id_42406807	420.527	NHKRLBWZHJZZIL-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-124844
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1cn(nc1)Cc1ccccc1	PC-id_84927784	420.527	NFESTLUKJPEILR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124845
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1cn(nc1)Cc1ccccc1	PC-id_9092559	420.527	NFESTLUKJPEILR-VAWYXSNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124846
s1c2CCCCCCc2nc1NC(=O)c1c(NC(=O)c2ccncc2)c(ccc1)C	PC-id_56571583	420.527	BZDCJCAJLMHJTP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-124847
s1c(COc2c(OCC)cc(C=C(c3n4CCCCCc4nn3)C#N)cc2)ccc1	PC-id_78694029	420.527	JLOPREBPEYVUSY-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-124848
s1c(COc2c(OCC)cc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)ccc1	PC-id_8426692	420.527	JLOPREBPEYVUSY-QGOAFFKASA-N	00000000100100110101000000000010000000000000000000000000	31-01-124849
S(=O)(=O)(N(C)C)c1c(CNC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_55590441	420.529	WHSHPMQMBKHVOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124850
Cc1c(C#N)c(NC(=O)CSc2nnc3n2CCCCC3)n(c2ccccc2)c1C	MCULE-5533342453,ZINC22_12536403,CoCoCo_4480276,EMOLS-id_24130109,PC-id_25342756	420.531	KVQPIAAXTLTGNW-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-124851
s1c2n(nc(c2cc1C(=O)NCc1n2CCCCCc2nn1)C)Cc1ccccc1	PC-id_24676686	420.531	YAUYWZSJSSKDDL-UHFFFAOYSA-N	00000000100000110101000100000010000000000000000000000000	31-01-124852
s1c2c(CCCCCCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)OCC	PC-id_74682924	420.542	SIXQTILVKGYZMI-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-124853
s1c2c(CCCCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_40439305	420.542	SIXQTILVKGYZMI-LSDHHAIUSA-M	00000000100010000100000000000010000000000000000000000000	31-01-124854
s1c2c(CCCCCCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_40439307	420.542	SIXQTILVKGYZMI-HUUCEWRRSA-M	00000000100010000100000000000010000000000000000000000000	31-01-124855
s1c2c(CCCCCCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_40439309	420.542	SIXQTILVKGYZMI-GJZGRUSLSA-M	00000000100010000100000000000010000000000000000000000000	31-01-124856
s1c2c(CCCCCCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_40439311	420.542	SIXQTILVKGYZMI-CABCVRRESA-M	00000000100010000100000000000010000000000000000000000000	31-01-124857
s1c2c(CCCCCCCCCC2)c(c1NC(=O)/C=C/C(=O)[O-])C(=O)OC(C)C	PC-id_40551606	420.542	WPSRTNAHEXUSFM-BUHFOSPRSA-M	00000000100000000100000000000010000000000000000000000000	31-01-124858
s1c2c(CCCCCCCCCC2)c(c1NC(=O)C=CC(=O)[O-])C(=O)OC(C)C	PC-id_74696105	420.542	WPSRTNAHEXUSFM-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-124859
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)/C=C/C(=O)[O-])C(=O)OCC	PC-id_40640295	420.542	PPFHSZBBHMRHIV-CCEZHUSRSA-M	00000000100000000100000000000010000000000000000000000000	31-01-124860
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)C=CC(=O)[O-])C(=O)OCC	PC-id_74709198	420.542	PPFHSZBBHMRHIV-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-124861
Fc1ccc(cc1)N1CCN(CC1)CCCn1ccc2c1CCCN(S2(=O)=O)C	SCHEMBL6829972,PC-id_22714957	420.544	RBSIUBGKOGRJEP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-124862
c1(NC(=O)c2cc3c(CCCCC3)s2)sc(c(C)c1C(=O)OC)C(=O)N(C)C	PC-id_1247561,MCULE-3201581905,EMOLS-id_2043716,CoCoCo_543635,ZINC22_1056431	420.546	HNRODUPUABFJDM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124863
c1(NC(=O)c2cccc(c2)S(=O)(=O)C(C)C)sc2c(CCCCC2)c1C(=O)N	PC-id_18587147,CoCoCo_5191822,ZINC22_10253437,EMOLS-id_5627526,MCULE-5947562658	420.546	TYWURRJHNAZENO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124864
c1(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)sc2c(CCCCC2)c1C(=O)N	MCULE-6424843087,PC-id_16823819,CoCoCo_5191673,ZINC22_10253123,EMOLS-id_4987409	420.546	BNPMPEVSCBDYDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124865
c1(NC(=O)CCCS(=O)(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)N	MCULE-7238425222,EMOLS-id_32180746,PC-id_16823706,ZINC22_9912069	420.546	SEEKAZKRVSJVQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124866
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)C)sc2c(CCCCC2)c1C(=O)N	MCULE-8545598038,PC-id_7254284,CoCoCo_5138023,EMOLS-id_5565076,ChEMBL-DNDi_CHEMBLF2536-0697,ZINC22_4496208	420.546	DPFIKKVKLDXLBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124867
c1(NC(=O)CCS(=O)(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)NC	CoCoCo_5058702,EMOLS-id_5523579,PC-id_7190298,ZINC22_4326525,MCULE-9077457906	420.546	VNAHCLJVOKMXBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124868
O=C(c1ccc(cc1)S(=O)(=O)C(C)C)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_4938049,MCULE-6090930823,PC-id_45909317,EMOLS-id_44130298	420.546	RUQWBEDSYNJMEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124869
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2c(s1)CCCCC2	ZINC22_8071856,CoCoCo_3326117,MCULE-9818915258,EMOLS-id_3626821,PC-id_9204364	420.546	NHPDROLDXKXQFP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124870
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2c(s1)CCCCC2	CoCoCo_3326544,PC-id_17454761,ZINC22_14158140,MCULE-3645424145,EMOLS-id_13477972	420.546	DGKJVVXBTGWLJL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124871
O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1cc2c(s1)CCCCCC2	ZINC22_70020429,PC-id_53536545,EMOLS-id_36638803,MCULE-8664794149	420.546	FJRDQRCOUXKCQT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-124872
s1c2CCCCCc2cc1C(=O)NNC(=O)CCS(=O)(=O)c1ccc(cc1)C	PC-id_9301090	420.546	AHLKHQKQZXKNRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124873
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C(=O)N	PC-id_44012195	420.546	XVRUYSFZVXUJKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124874
s1c2c(CCCCC2)c(c1NC(=O)CCCNC(=O)c1sccc1)C(=O)OC	PC-id_55697892	420.546	UUKKXCPQFDEWTB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124875
s1c2c(CCCCC2)c(c1NC(=O)C[C@H](NC(=O)C)c1sccc1)C(=O)OC	PC-id_52598469	420.546	OXUSIKGMHUDHJQ-AWEZNQCLSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124876
s1c2c(CCCCC2)c(c1NC(=O)C[C@@H](NC(=O)C)c1sccc1)C(=O)OC	PC-id_52598470	420.546	OXUSIKGMHUDHJQ-CQSZACIVSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124877
s1c2c(CCCCC2)c(c1NC(=O)CC(NC(=O)C)c1sccc1)C(=O)OC	PC-id_75878085	420.546	OXUSIKGMHUDHJQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-124878
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OC)cc(OC)c1)C(=O)OC	PC-id_20411429	420.546	ZWLCYGRLTRDZPG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124879
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OC)c(OC)cc1)C(=O)OC	PC-id_19677422	420.546	WCLYOBUUVNUBQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124880
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC)ccc(OC)c1)C(=O)OC	PC-id_20411329	420.546	UIPSDLBTRPVHSC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124881
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC)cc(OC)cc1)C(=O)OC	PC-id_20411289	420.546	OXIJMNGETCIMDR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124882
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(CS(=O)(=O)C)cc1	PC-id_9441603	420.546	NDTYGPQEOMSTFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124883
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(CS(=O)(=O)C)ccc1	PC-id_26287333	420.546	JMJZWMQPDATOCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124884
S(=O)(=O)(C1=CN(CCc2c(sc(N)c2C(=O)OCC)C1)C)c1ccc(cc1)C	PC-id_49877712	420.546	SFKZZBVYKATDLP-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-124885
S(=O)(=O)(N1CCCC1)c1cc(NC(=O)c2sc3CCCCCc3c2)c(O)cc1	PC-id_27672670	420.546	QEWYQMLQORHZTM-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-124886
s1c2c(CCCCCC2)c(c1NC(=S)NCCc1ccc(F)cc1)C(=O)OC	PC-id_19649765	420.564	HCWHCOADBVFSDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124944
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(C)cc2)CC	PC-id_145511799	420.547	DRBIMTIPFLSOPG-CYVLTUHYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-124887
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1c(C)ccc2)CC	PC-id_25114485,SCHEMBL3144245	420.547	YTLHLEMBJABJKK-SDXDJHTJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-124888
O(c1c(OCC)cc(CNCCc2n3CCCCCc3nn2)cc1)Cc1ccccc1	PC-id_56436534	420.547	MAWBDTFFYFZAOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124889
O=C1N(CCCc2[nH]c(c(c12)C)C=C1c2c(NC1=O)cccc2C)CCN(CC)CC	PC-id_68527707	420.547	YTLHLEMBJABJKK-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-124890
OC(C1CCC(CC1)OCc1ncccc1N)CC1C/C=CC=C/C(=C)c2n1cnc2	PC-id_118857923	420.547	IYRYEWQLLFHQED-ZUMAWFIWSA-N	00000000100010101111000000000010000000000000000000000000	31-01-124891
OC([C@@H]1CC[C@H](CC1)OCc1ncccc1N)CC1C/C=CC=C/C(=C)c2n1cnc2	SCHEMBL17486733	420.547	IYRYEWQLLFHQED-DMIDINLASA-N	00000000100010101111000000000010000000000000000000000000	31-01-124892
s1c2CCCCCc2c(c1NC(=O)CC[NH2+]C(c1ccccc1)c1occc1)C#N	PC-id_84829704	420.547	DSTZUWUIVFANAU-UHFFFAOYSA-O	00000000101000110100000000000010000000000000000000000000	31-01-124893
s1c2CCCCCc2c(c1NC(=O)CC[NH2+][C@@H](c1ccccc1)c1occc1)C#N	PC-id_8755301	420.547	DSTZUWUIVFANAU-QHCPKHFHSA-O	00000000101000110100000000000010000000000000000000000000	31-01-124894
s1c2CCCCCc2c(c1NC(=O)CC[NH2+][C@H](c1ccccc1)c1occc1)C#N	PC-id_8755303	420.547	DSTZUWUIVFANAU-HSZRJFAPSA-O	00000000101000110100000000000010000000000000000000000000	31-01-124895
S=c1n(nc2n1CCCCC2)C[NH+]1CC[NH+](CC1)CC(=O)Nc1ccc(F)cc1	PC-id_9330407	420.547	ZEVBGUUUZSRXKV-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-124896
c1(NC(=S)NC(=O)c2cnn(CC)c2)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC223838,PC-id_995911,EMOLS-id_4103010,ZINC22_649475,CoCoCo_6597984,MCULE-1705401725	420.549	IRLGKAVSTKRBHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124897
CCn1cc(cn1)C(=O)NC(=S)Nc1sc2CCCCCCc2c1C(=O)OC	MCULE-5931197674,PC-id_1968518,CoCoCo_6614045,ZINC22_2356070,CHEBI:106016,CHEMBL1607268,ChEMBL-DNDi_CHEMBL1607268,Chemmine_13554,TIMTEC132780,ChEMBL-DNDi_CHEMBL7659827,STOCK4S-05969,EMOLS-id_2000355	420.549	DTVRPXOVDRDBKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124898
CCS(=O)(=O)N1CCc2c1ccc(c2)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3892255,CoCoCo_3892254	420.549	UJUVLSGKPLPXRQ-GHRIWEEISA-N	00000010100000100101000000001010000000000000000000000000	31-01-124899
CCS(=O)(=O)N1CCc2c1ccc(c2)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3892256,CoCoCo_3892253	420.549	UJUVLSGKPLPXRQ-LGMDPLHJSA-N	00000010100000100101000000001010000000000000000000000000	31-01-124900
CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc4n3CCCCC4)ccc12	MCULE-8799322644,ZINC22_7426239,CoCoCo_3892252,PC-id_8521425,EMOLS-id_3595194	420.549	XDBXISFITCWXSY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-124901
O=C(c1sc(nc1C)N1CCOCC1)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-3624146137,EMOLS-id_43920583,PC-id_24487406	420.549	QFUNIORJKPKWFB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-124902
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccc(cc1)S(=O)(=O)N1CCCC1	CoCoCo_3081715,CoCoCo_3081714	420.549	ZLDWYYVWMHVHAQ-SAPNQHFASA-N	00000010100000110101000000000010000000000000000000000000	31-01-124903
O/C(=CSc1nnc2n1CCCCC2)/c1ccc(cc1)S(=O)(=O)N1CCCC1	CoCoCo_3081716,CoCoCo_3081713	420.549	ZLDWYYVWMHVHAQ-VKAVYKQESA-N	00000010100000110101000000000010000000000000000000000000	31-01-124904
O=C(CSc1nnc2n1CCCCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1	EMOLS-id_43775492,PC-id_7876932,MCULE-2854356331,CoCoCo_3081712,ZINC22_6097498	420.549	IYCOLHIGALRCOP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124905
O=C(CSc1nnc2n1CCCCC2)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1	CoCoCo_3081458,PC-id_9452353,ZINC22_8327639	420.549	MXUIVTDOQWNOJR-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124906
O=C(CSc1nnc2n1CCCCC2)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1	CoCoCo_3081459,PC-id_9452352,ZINC22_8327638	420.549	MXUIVTDOQWNOJR-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124907
O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_112825089	420.549	PLOOHFLCKOGOQL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-124908
O=C(N(C1CCS(=O)(=O)C1)c1ccccc1)CSc1nnc2n1CCCCC2	PC-id_16312156,MCULE-2700173805,EMOLS-id_3673818	420.549	MXUIVTDOQWNOJR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124909
O=C(Nc1nc2c(s1)CCCCC2)C1CCN(S(=O)(=O)c2cccnc2)CC1	ZINC22_31660114,PC-id_38882411,MCULE-8727069256,CoCoCo_4815534,EMOLS-id_24017250,GD-id_ZINC31660114	420.549	ACTCVZBOQHLYHJ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-124910
O=C(Nc1nc2c(s1)CCCCC2)NCCS(=O)(=O)N1CCc2c1cccc2	PC-id_112825058	420.549	UBUKIESBUQHHBR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-124911
O=S(=O)(Oc1ccccc1)CC[NH+]1CCN(CC1)Cc1nnc2n1CCCCC2	GD-id_ZINC46055063	420.549	VFQZYZGXKYDJLG-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-124912
s1c2c(CCC2)c(c1NC(=O)CSc1n2CCCCCc2nn1)C(=O)OCC	PC-id_7876666	420.549	DHOSXTPSGHAGMN-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-124913
s1c2c(CCCC2)c(c1NC(=O)CSc1n2CCCCCc2nn1)C(=O)OC	PC-id_7876784	420.549	DJLDNYCHZSEMIE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-124914
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1nc(sc1)N1CCOCC1	PC-id_9278393	420.549	BVHLIQUEFLCCHS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-124915
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC=C)c(nn1)C)C(=O)OC	PC-id_8110664	420.549	UIYYDACMHHXIIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124916
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)C)C(=O)OC	PC-id_8338404	420.549	PUHICRIFCWRLIN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-124917
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1nc(sc1)N1CCOCC1	PC-id_25522117	420.549	WXKXUBLYOIRGDB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-124918
s1cc(C2CC2)c(c1NC(=O)CSc1n2CCCCCc2nn1)C(=O)OCC	PC-id_7876814	420.549	DVKWQQKRWNBRJD-UHFFFAOYSA-N	00100000100100000101100000000010000000000000000000000000	31-01-124919
S1(=O)(=O)CC(Sc2c(C(=O)NCc3n4CCCCCc4nn3)cccc2)CC1	PC-id_24676709	420.549	ZFLYUKBIUJVLRB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-124920
S(c1n2CCCCCc2nn1)CC(=O)c1sc(CC(=O)N2CCOCC2)cc1	PC-id_8410057	420.549	JDDFPPKBFNIGLM-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-124921
S(c1n(C2CC2)c(nn1)C)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_8723063	420.549	SLLRUWZZHQBSQV-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-124922
CC1(C)[C@H]2CC=C(CN3CCc4nnc(CCNC(=O)c5cccnc5)n4CC3)[C@@H]1C2	EMOLS-id_25989091,MCULE-6533613539,PC-id_42322624,CoCoCo_1140120,CoCoCo_1140119,ZINC22_11970529	420.55	OTOGOOMTQYVWPW-PMACEKPBSA-N	00001000100011101101001000000010000000000000000000000000	31-01-124923
O=C(c1cccnc1)NCCc1nnc2n1CCN(CC2)CC1=CC[C@@H]2C[C@H]1C2(C)C	CoCoCo_1140117,CoCoCo_1140118	420.55	OTOGOOMTQYVWPW-WOJBJXKFSA-N	00001000100011101101001000000010000000000000000000000000	31-01-124924
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cc1c2c([nH]c1C)ccc(c2)C	PC-id_46673231	420.55	KTVAWNOCANTABT-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-124925
O=C(NCCc1n2CCN(CC3=CCC4C(C3C4)(C)C)CCc2nn1)c1cccnc1	PC-id_74792080	420.55	OTOGOOMTQYVWPW-UHFFFAOYSA-N	00001000100011101101001000000010000000000000000000000000	31-01-124926
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(nnn1)C1CCCC1)C(=O)N	PC-id_56560843	420.552	HJAREDBGDLEPMA-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-124927
CCNC(=NCc1ccccc1Cn1cccn1)NCCc1nnc2n1CCCCC2	PC-id_111851230	420.554	FJKQOQZUDOAAJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124928
CCNC(=NCc1ccccc1n1nc(cc1C)C)NCc1nnc2n1CCCCC2	PC-id_109795972	420.554	RXZAMRYHVNKKRK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124929
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc(cc1)n1cccn1	PC-id_111863462	420.554	XTIACGQFAUJPDJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124930
CN=C(NCc1ccccc1Cn1cccn1)NCCCc1nnc2n1CCCCC2	PC-id_111851856	420.554	CDUQCDMFCHQKLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124931
CN=C(NC(c1cccc(c1)n1cccn1)C)NCCCc1nnc2n1CCCCC2	PC-id_112086493	420.554	GNGKCGSTTXIIST-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124932
CN=C(NCc1ccccc1n1nc(cc1C)C)NCCc1nnc2n1CCCCC2	PC-id_109795984	420.554	BERTTZHUBBZLCD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124933
CN=C(N(Cc1cnn(c1)c1ccccc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111414715	420.554	ODJGGASOHIMDPO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124934
CN=C(N(Cc1ncc([nH]1)c1ccccc1)C)NCCCc1nnc2n1CCCCC2	PC-id_109842784	420.554	ULTDBXOMZQGJJS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124935
CN=C(NCCc1ccc(cc1)n1cccn1)NCCCc1nnc2n1CCCCC2	PC-id_111863750	420.554	VJAFJJQKKBKVAG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-124936
s1c2c(CCCCC2)c(c1NC(=S)NCCc1ccc(F)cc1)C(=O)OCC	PC-id_19649770	420.564	OUGIRRKQKCOCNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124937
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1F)C)C(=O)OCC	PC-id_19687262	420.564	VMUYLORVZWGVIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124938
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(ccc(F)c1)C)C(=O)OCC	PC-id_19687340	420.564	REAAUKRNULZDDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124939
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc(F)cc1)C)C(=O)OCC	PC-id_19679954	420.564	YQAVJQRPGZMUIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124940
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(F)c(cc1)C)C(=O)OCC	PC-id_20413102	420.564	RBGAQEDMJYJIBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124941
s1c2c(CCCCCC2)c(c1NC(=S)NCc1ccc(F)cc1)C(=O)OCC	PC-id_19649347	420.564	MKMCASILCDQWQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124942
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(F)cccc1)C(=O)OCC	PC-id_19679682	420.564	ZBVURUWNRLVUMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124943
c1(c2CCCCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)NC1CCCCC1	PC-id_17377016,MCULE-7558990553,EMOLS-id_4103024,TIMTEC551541	420.565	XMZPCPLLZQAJEA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-124945
C[C@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCCC2	PC-id_27525664,CoCoCo_6831797,ZINC22_17092400	420.565	XMZPCPLLZQAJEA-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-124946
C[C@@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCCC2	ZINC22_17092399,PC-id_27525662,CoCoCo_6831798	420.565	XMZPCPLLZQAJEA-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-124947
s1c2CCCCCCc2cc1C(=O)N(CC(=O)N1CC(CCC1)C(=O)OCC)C	PC-id_56374983	420.565	GWZLFSDNWCNLCV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-124948
s1c2CCCCCCc2cc1C(=O)N(CC(=O)N1CCC(CC1)C(=O)OCC)C	PC-id_56392666	420.565	QIKGYJVPVYEOPY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-124949
Cc1ccc(C(C)C)c(OCc2n[n+](C[C@@H](O)c3ccccc3)c3n2CCCCC3)c1	CoCoCo_5791932,PC-id_33698874,GD-id_ZINC26441729,ZINC22_26441729	420.567	HBJXJWWZVRTLLE-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124950
Cc1ccc(C(C)C)c(OCc2n[n+](C[C@H](O)c3ccccc3)c3n2CCCCC3)c1	CoCoCo_5791933,ZINC22_26441735,PC-id_33698884,GD-id_ZINC26441735	420.567	HBJXJWWZVRTLLE-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124951
[n+]1(CC(O)c2ccccc2)c2CCCCCn2c(COc2cc(C)ccc2C(C)C)n1	PC-id_44789632,MCULE-3568280495	420.567	HBJXJWWZVRTLLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124952
N#CCc1cc(c2-c1ccc(cc2)C(C)C)CCCCNS(=O)(=O)c1ccccc1	SCHEMBL9627372,PC-id_10070773	420.567	SKIXBYPNVDTNDH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-124953
s1c2c(CCCCCC2)c(c1N=Cc1oc(cc1)C)C(=O)Nc1c(c(ccc1)C)C	PC-id_23826090	420.567	WLAQEUPDYKDCGO-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-124954
s1c2c(CCCCCC2)c(c1N=Cc1oc(cc1)C)C(=O)Nc1c(ccc(c1)C)C	PC-id_23875786	420.567	CDVRKKSPVMZRPJ-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-124955
s1c2c(CCCCCC2)c(c1N=Cc1oc(cc1)C)C(=O)Nc1cc(c(cc1)C)C	PC-id_23964441	420.567	XAEHMCBQUKCUEU-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-124956
s1c2c(CCCCCC2)c(c1N=Cc1oc(cc1)C)C(=O)Nc1cc(cc(c1)C)C	PC-id_23994886	420.567	HTHVCSAABOXXDX-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-124957
COCCN1CCCN(CC1)CCOC1=C(C)N=c2c(=C(C1)C)c(N)c(s2)C=O	PC-id_143185847	420.569	MNJAADXVPMKRFZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-124958
s1c2c(CCCCC2)cc1C(=O)N(C1C(N(CCC)C(=O)NC1=O)N)CCCC	PC-id_78365146	420.569	LWOBMTXGBUSQFX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124959
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)N(CC)CC	PC-id_55683505	420.569	NXWWZZMPLQTDRF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-124960
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCNC(=O)NC1CCCCC1	PC-id_18224724	420.569	CYSJVPLVIZCWJF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-124961
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CC	PC-id_75805963	420.569	NOEZGNRSKDVZOL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124962
s1c2CCCCCCc2cc1C(=O)Nc1sc2c(n1)ccc(S(=O)(=O)C)c2	PC-id_60391143	420.569	PYNBYGBKZDEWNG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-124963
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCNC(=O)NC1CCCCC1	PC-id_24620868	420.569	ISSUTJAKAIJAAG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-124964
S(c1n2CCCCCc2nn1)C(C(=O)N(Cc1ccccc1)Cc1ccccc1)C	PC-id_24371226	420.57	VIDHRPAJJAABCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124965
S(c1n2CCCCCc2nn1)CC(=O)N(CCc1ccccc1)Cc1ccccc1	PC-id_7877599	420.57	HLYVXMGJPQEAQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124966
S(c1n2CCCCCc2nn1)CC(=O)NCCC(c1ccccc1)c1ccccc1	PC-id_7876763	420.57	DQWPPSUKDLMFED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124967
c12sc(cc1c(=O)[nH]c(CSCC(=O)Nc1sc3c(CCCCC3)n1)n2)C	MCULE-8047324026,EMOLS-id_323476654	420.572	RAIDARNXLCIFPK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-124968
CN(c1ccc(cc1)CN1CCn2c(CC1)nnc2C(C(C)C)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL49546865	420.572	SRCAATJELZFUIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-124969
O=C(NC(C)(C)C)C[N@@H+]1CCCN(CC1)C(=O)NCCc1nnc2n1CCCCC2	GD-id_ZINC45386034	420.572	GOFIGUIFPXZPFO-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-124970
s1c2CCCCCc2c(c1NC(=O)CSc1sc(c(n1)C)CC(=O)N)C#N	PC-id_46683772	420.572	TZWNFZPOXRZUFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124971
C#CC(=NC(=NCC(C(c1nc2c(s1)[C@H](C)C=CC=C2)C)C)C)n1nc(nc1C)C	PC-id_145558996	420.574	TWIMXOFHUAYXLN-QQFBHYJXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-124972
O=Cc1c2-c(c(c1)/C=C/c1c3-c(cc(C(C)C)ccc3C)cc1)c(ccc(C(C)C)c2)C	PC-id_59760285,SCHEMBL12743774	420.585	APCCDAXGOPDSCA-WYMLVPIESA-N	00000010100000000110000000000010000000000000000000000000	31-01-124973
O=Cc1c2-c(c(c1)C=Cc1c3-c(cc(C(C)C)ccc3C)cc1)c(ccc(C(C)C)c2)C	PC-id_72554585	420.585	APCCDAXGOPDSCA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-124974
CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cc3c(s2)CCCCCC3)c1	EMOLS-id_44081926,PC-id_45874356,ZINC22_40069383,MCULE-8483089980	420.589	YKGLPOVLGDIDQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124975
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)c(cc1)C	PC-id_7929107	420.589	HVFVMGIWFRJYAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124976
s1c2CCCCCCc2cc1C(=O)NC(c1ccc(S(=O)(=O)N(C)C)cc1)C	PC-id_75904690	420.589	ZVEHXMLYXXRQJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124977
s1c2CCCCCCc2cc1C(=O)N[C@H](c1ccc(S(=O)(=O)N(C)C)cc1)C	PC-id_52702878	420.589	ZVEHXMLYXXRQJE-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124978
s1c2CCCCCCc2cc1C(=O)N[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1)C	PC-id_52702879	420.589	ZVEHXMLYXXRQJE-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-124979
s1c(C(=O)N2C[C@H]([NH+]3CCN(CC3)C(=O)OCC)CCC2)cc2c1CCCCC2	PC-id_25365543	420.589	RECPFKAKZQMDOP-GOSISDBHSA-O	00000000100010000101100000000010000000000000000000000000	31-01-124980
s1c(C(=O)N2C[C@@H]([NH+]3CCN(CC3)C(=O)OCC)CCC2)cc2c1CCCCC2	PC-id_25365549	420.589	RECPFKAKZQMDOP-SFHVURJKSA-O	00000000100010000101100000000010000000000000000000000000	31-01-124981
s1c(C(=O)N2CC([NH+]3CCN(CC3)C(=O)OCC)CCC2)cc2c1CCCCC2	PC-id_74445357	420.589	RECPFKAKZQMDOP-UHFFFAOYSA-O	00000000100010000101100000000010000000000000000000000000	31-01-124982
O=C(N1CCC(CC1)N1CCCCC1)c1ccc2CN(Cc3ccccc3)CCCn12	MCULE-8062872317,EMOLS-id_317418330	420.59	PVZHBUQOGMLMGS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-124983
c1(NC(=S)Nc2c(C)nn(CC)c2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3270942,MCULE-5991130166,ZINC22_6144976,TIMTEC593121,CoCoCo_6800019,EMOLS-id_4103084	420.592	ZHILJYFZULNBFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124984
c1(NC(=S)NCc2cn(nc2C)CC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_4103090,TIMTEC101050,PC-id_3271112,ZINC22_6145010,MCULE-3407206470,CoCoCo_6800026	420.592	CKIZXYQBDCLURX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124985
c1(NC(=S)NCc2cnn(CC)c2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-1705202089,PC-id_3269497,CoCoCo_6799984,ZINC22_6144980,EMOLS-id_4103094,TIMTEC542408	420.592	XCXLIZVLYAUJRD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124986
c1(NC(=S)NC(C)c2cn(nc2C)CC)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_2241821,MCULE-8901260477,PC-id_2956068,TIMTEC199859	420.592	HQYXROFYKYUJNE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124987
c1(NC(=S)NCCCn2ccnc2)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4103088,TIMTEC556462,ZINC22_5919803,MCULE-4456820964,PC-id_3275858,CoCoCo_6799962	420.592	XSORMCQVSOWVEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124988
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N(C)Cc1cn(nc1C)C	ZINC22_5979957,MCULE-8375079959,TIMTEC284999,PC-id_3271111,EMOLS-id_4103086,CoCoCo_6800025	420.592	LHNFSDFDNZASNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124989
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N(C)Cc1cnn(C)c1C	TIMTEC124810,EMOLS-id_4103080,CoCoCo_6800027,PC-id_3271113,MCULE-6862275935,ZINC22_5979958	420.592	DKWIVEXMDWYTTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124990
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N(C)Cc1cnn(CC)c1	TIMTEC273214,CoCoCo_6799985,PC-id_3269498,ZINC22_6145013,MCULE-5136001492,EMOLS-id_4103082	420.592	KUHLMYZMVMJWPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124991
CCn1cc([C@H](C)NC(=S)Nc2sc3c(c2C(=O)OC)CCCCC3)c(C)n1	CoCoCo_995996,ZINC22_5041455,PC-id_7470030	420.592	HQYXROFYKYUJNE-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124992
CCn1cc([C@@H](C)NC(=S)Nc2sc3c(c2C(=O)OC)CCCCC3)c(C)n1	CoCoCo_995997,ZINC22_5041454,PC-id_7470029	420.592	HQYXROFYKYUJNE-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124993
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCOCC1CCOCC1	PC-id_111643492	420.592	STYBOMIUASCOFD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124994
COCCCOC1CCN(CC1)C(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_109510153	420.592	WFTXAGNUTAYBEM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-124995
s1c2c(CCCCC2)c(c1NC(=S)N(Cc1c(nn(c1)CC)C)C)C(=O)OC	PC-id_20167159	420.592	QMMPTSXHTMYGGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124996
s1c2c(CCCCC2)c(c1NC(=S)NC(c1c(n(nc1)CC)C)C)C(=O)OC	PC-id_20177210	420.592	CTDGJDRTSBCYKR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124997
s1c2c(CCCCC2)c(c1NC(=S)NCc1c(n(nc1C)CC)C)C(=O)OC	PC-id_20178056	420.592	UTAMDGLRFSHFMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124998
s1c2c(CCCCC2)c(c1NC(=S)N(Cc1c(n(nc1C)C)C)C)C(=O)OC	PC-id_20178133	420.592	BAOGJIKGGWNKHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-124999
s1c2c(CCCCC2)c(c1NC(=S)NC(c1c(nn(c1)C)C)C)C(=O)OCC	PC-id_20177054	420.592	XOMCVEJWTABKSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125000
s1c2c(CCCCC2)c(c1NC(=S)NC(c1c(n(nc1)C)C)C)C(=O)OCC	PC-id_20177111	420.592	PDIHVQHUHLUUDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125001
s1c2c(CCCCC2)c(c1NC(=S)NCc1c(n(nc1C)C)C)C(=O)OCC	PC-id_20177814	420.592	WHHNXHZNFKVSBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125002
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1nc(cc1C)C)C(=O)OC	PC-id_20174629	420.592	PQAROEQPEIXJGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125003
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1ncc(c1)C)C(=O)OCC	PC-id_20174257	420.592	WGZIUJRQHLQTIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125004
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1nc(cc1)C)C(=O)OCC	PC-id_20174317	420.592	LKJFOLQZIHOBIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125005
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1nccc1C)C(=O)OCC	PC-id_20174437	420.592	HYBRLQLUMBRVPX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125006
s1c2CCCCCCc2c(c1NC(=O)CSC1NC(CCC)CC(=O)N1)C#N	PC-id_78341288	420.592	JSFYEBPDUDBTNT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125007
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)CC)C)C(=O)OC	PC-id_20167895	420.592	ZVKQBGATFWTVPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125008
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)C)C)C(=O)OCC	PC-id_20166625	420.592	TYEAGTXMNNTHDK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125009
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(nn(c1)CC)C)C(=O)OCC	PC-id_20177539	420.592	RMVULOADQFBRBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125010
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1)CC)C)C(=O)OCC	PC-id_20177598	420.592	UIVHWBJPMMKFTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125011
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(nn(c1)C)C)C)C(=O)OC	PC-id_20177047	420.592	PDLCPMNTCYYUGE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125012
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(n(nc1)C)C)C)C(=O)OC	PC-id_20177104	420.592	GWXIWZTWQLXJHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125013
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(n(nc1C)C)C)C(=O)OC	PC-id_20177807	420.592	KNEMBCPLQZBNMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125014
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(nn(c1)CC)C)C(=O)OC	PC-id_20177918	420.592	GVJXIGBFNHOTKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125015
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(n(nc1)CC)C)C(=O)OC	PC-id_20177972	420.592	MTKOZFGQXPTXAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125016
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(nn(c1)C)C)C(=O)OCC	PC-id_20177702	420.592	FIBRERBHQWDUNU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125017
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(n(nc1)C)C)C(=O)OCC	PC-id_20177752	420.592	VVLQPBPVIZRLHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125018
s1c2c(CCCCCC2)c(c1NC(=S)NCc1cn(nc1)CC)C(=O)OCC	PC-id_20177863	420.592	YDHFMOLOICVLHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125019
s1c2c(CCCCCC2)c(c1NC(=S)NCc1nn(c(c1)C)C)C(=O)OCC	PC-id_20171969	420.592	FWJZXXHEPZIISQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125020
s1c2c(CCCCCC2)c(c1NC(=S)NCc1n(ncc1)CC)C(=O)OCC	PC-id_20175112	420.592	FMSXRQXDVOXQLU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125021
s1c2c(CCCCCC2)c(c1NC(=S)NCc1nn(CC)cc1)C(=O)OCC	PC-id_20175055	420.592	WLYQQAZHGQXRLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125022
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1ncc(c1)C)C(=O)OC	PC-id_20174250	420.592	WFYDTBGYGXPUQJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125023
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1nc(cc1)C)C(=O)OC	PC-id_20174310	420.592	LXRRHBJPDSBSFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125024
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1nccc1C)C(=O)OC	PC-id_20174430	420.592	PTDZTDMLXMEKHW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125025
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1nccc1)C(=O)OCC	PC-id_20174578	420.592	KYDCYNJVVAQMNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125026
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)C(C)C)C	PC-id_74798895	420.592	ALRQIXCJEXXWHI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125027
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)C(C)C)C	PC-id_42357055	420.592	ALRQIXCJEXXWHI-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125028
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)C(C)C)C	PC-id_42357059	420.592	ALRQIXCJEXXWHI-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125029
CCNC(=NCCCc1nnc2n1CCCCC2)N1CC2(c3c1cccc3)CCCC2	PC-id_112086611	420.594	VETUMUKKAXNSKU-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-125030
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(=Cc2ccccc2)CC1	PC-id_109414561	420.594	IMONGCSITIUUGG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125031
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(SC)cccc1)C(=O)OCC	PC-id_19648727	420.612	ZEMLXUFPZYUOQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125032
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(SC)cccc1)C(=O)OC	PC-id_19648722	420.612	QROFJQAQTKDIIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125033
c12-c(c(cc1C=Cc1c3-c(c(c1)C)cc(C(C)C)ccc3C)C)cc(C(C)C)ccc2C	PC-id_86108956	420.628	LXJMKHARHQJYFJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-125034
CC(c1ccc(c2-c(c1)c(C)cc2/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C)C)C	PC-id_101223299	420.628	LXJMKHARHQJYFJ-BUHFOSPRSA-N	00000010100000000110000000000010000000000000000000000000	31-01-125035
CC[NH+](CCNC(=O)C1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2)CC	GD-id_ZINC46821907	420.632	NZTVIVHRZTYBIM-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-125036
s1c2c(CCCCCC2)c(c1NC(=S)NCCC1=CCCCC1)C(=O)OCC	PC-id_19650286	420.632	WNCXNKQSRDJQKF-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-125037
S=C(NC(C1C2CC(C1)CC2)C)Nc1sc2c(c1C(=O)OC)CCCCCC2	PC-id_19651507	420.632	WMULNIGTHBKFTB-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-125038
S=C(NC(C1C2CC(C1)CC2)C)Nc1sc2c(c1C(=O)OCC)CCCCC2	PC-id_19651514	420.632	GTLTUNWKEJQUQK-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-125039
s1c2CCCCCCc2cc1C(=O)NCCCc1n(CC(C)C)c(SC)nn1	PC-id_52476755	420.635	PWLIYSINVYSMPA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125040
Cc1ccc(cc1)S(=O)(=O)NN=C1CSc2c(SC1)sc(=S)s2	PC-id_3117133,CoCoCo_126056	420.637	CKWVNRVTOVYWAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125041
c1(NC(=O)CC(C)C)sc2c(CCCCCCCCCC2)c1C(=O)NCC(C)C	PC-id_3851375,SPECS-id_AE-848/41540083,CoCoCo_6879646,ZINC22_4155128,EMOLS-id_3743434,MCULE-6349438961	420.652	XTLQZVUSOMICJF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125042
s1c2c(CCCCCCCCCC2)c(c1NC(=O)CC(C)C)C(=O)N(CC)CC	PC-id_23828267	420.652	DMBAJOIGZCLBOY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125043
Fc1cccc(Cl)c1CN1CCc2nnc(CNC(=O)C3CCC(=O)N3)n2CC1	EMOLS-id_232725080,PC-id_45192493,MCULE-4012258873	420.868	YLQHKBBSFOPSNK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-125044
O=C1CC[C@H](C(=O)NCc2nnc3n2CCN(Cc2c(F)cccc2Cl)CC3)N1	CoCoCo_1264780,ZINC22_20599861,CoCoCo_1264781	420.868	YLQHKBBSFOPSNK-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-125045
O=C1CC[C@@H](C(=O)NCc2nnc3n2CCN(Cc2c(F)cccc2Cl)CC3)N1	ZINC22_20599860,CoCoCo_1264778,CoCoCo_1264779	420.868	YLQHKBBSFOPSNK-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-125046
Clc1c(CC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)c(F)ccc1	PC-id_41784272	420.885	GKLURFASINMZJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125047
Clc1c(C(=O)OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)c(F)ccc1	PC-id_55418088	420.885	GCJHLXCMTZFCBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125048
c1(c2CCCCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1ccc(cc1)Cl	EMOLS-id_8221395,CoCoCo_6892819,MCULE-1943552551,TIMTEC584078,TIMTEC28444,PC-id_1047348,SPECS-id_AG-667/37281053,ZINC22_722393	420.91	YXHCZKGTYLISLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125049
CCN(c1sc2c(c1C(=O)Nc1ccc(cc1)Cl)CCCCC2)C(=O)C(=O)O	PC-id_68930066,SCHEMBL4144070	420.91	ZEJGUNQVMYKJEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125050
CCOC(=O)C(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)Cl)CCCCC2	PC-id_68930064,SCHEMBL4144067	420.91	JXIGJVOCGLKXLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125051
CC(=O)OCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)Cl)CCCCC2	PC-id_68932286,SCHEMBL4149386	420.91	WFTPDSCTINPXFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125052
Clc1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_7521945	420.91	GDTSFHNTSOCFHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125053
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OCC)ccc1	PC-id_7521947	420.91	BYVKKKDDTRVELW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125054
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OCC)cccc1	PC-id_7521946	420.91	WJWDVGJIZXGHHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125055
O=CCC(C(=O)O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)Cl)CCCCC2	PC-id_140109332	420.91	WSRJCDGIGOOGBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125056
Clc1cccc(c1)NC(=O)N1CCc2c(CC1)nc(s2)C(=O)N1CCOCC1	PC-id_97442540	420.913	XKFFGUAASIATAG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125057
Clc1cc(ncc1)C(=O)NCC(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_9426555	420.913	LTJHNZZBXPSJMK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-125058
Clc1n(nc(c1C(=O)OC(C(=O)Nc1sc2CCCCCc2c1C#N)C)C)C	PC-id_75669425	420.913	VKZRNHPEONHBNL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125059
Clc1n(nc(c1C(=O)O[C@@H](C(=O)Nc1sc2CCCCCc2c1C#N)C)C)C	PC-id_51532660	420.913	VKZRNHPEONHBNL-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125060
Clc1n(nc(c1C(=O)O[C@H](C(=O)Nc1sc2CCCCCc2c1C#N)C)C)C	PC-id_51532661	420.913	VKZRNHPEONHBNL-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-125061
Clc1n(nc(c1C=C(c1n2CCCCCc2nn1)C#N)C)C1CS(=O)(=O)CC1	PC-id_84857119	420.916	OBZDKSHFVUNAFK-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-125062
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)[C@H]1CS(=O)(=O)CC1	PC-id_8863113	420.916	OBZDKSHFVUNAFK-KADHNRKRSA-N	00000010100000000101100000000010000000000000000000000000	31-01-125063
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)[C@@H]1CS(=O)(=O)CC1	PC-id_8863124	420.916	OBZDKSHFVUNAFK-SSUFTNFISA-N	00000010100000000101100000000010000000000000000000000000	31-01-125064
Clc1c(C(=O)N2CCN(CC2)C(=O)c2sc3c(CCCCC3)c2)ccc(F)c1	PC-id_56235533	420.928	XUUNWQOFEBYXEK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125065
Clc1c(OCC(C)C)c(OC)cc(C(=O)NCCc2n3CCCCCc3nn2)c1	PC-id_55488082	420.933	DZPHHJYMUZPHOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125066
Clc1ccc(cc1)C1(CCC1)C(=O)N1CCc2nnc(Cc3ccccc3)n2CC1	PC-id_26317399,MCULE-7671950388,CoCoCo_1430101,EMOLS-id_20607927,ZINC22_14952882	420.935	HPECJYFBJSNEJB-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-125067
Clc1ccc(c2oc(SCC(=O)Nc3sc4CCCCCc4n3)nn2)cc1	PC-id_55508200	420.936	ADPYCWIPJCXRPX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125068
c1(NC(=O)CCCOc2ccc(cc2C)Cl)sc2c(CCCCC2)c1C(=O)N	MCULE-7107950431,CoCoCo_6796939,ZINC22_2115095,EMOLS-id_2199626,TIMTEC293882,PC-id_1769819	420.953	LRMIWIQLWPVNCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125069
c1(NC(=O)C(C)Oc2ccc(c(C)c2)Cl)sc2c(CCCCCC2)c1C(=O)N	TIMTEC456531,SPECS-id_AK-968/12384391,PC-id_4351224,EMOLS-id_6772348,MCULE-1288156390	420.953	SQZNOIZOEFUARO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125070
c1(NC(=O)COc2cc(C)c(c(C)c2)Cl)sc2c(CCCCCC2)c1C(=O)N	SPECS-id_AK-968/41927279,TIMTEC453712,PC-id_1001696,CoCoCo_6786751,MCULE-7675547693,ZINC22_657452,EMOLS-id_4103468	420.953	SNUBXNNPOAFAKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125071
Cc1cc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCCCCC3)ccc1Cl	PC-id_1008687,CoCoCo_1743635,ZINC22_668413	420.953	SQZNOIZOEFUARO-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125072
Cc1cc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N)CCCCCC3)ccc1Cl	PC-id_1008688,CoCoCo_1743634,ZINC22_668411	420.953	SQZNOIZOEFUARO-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125073
Clc1cc(c(OC(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)C)cc1)C	PC-id_3266320	420.953	QQZDKAWYBJSVLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125074
Clc1cc(C(=O)N2CCCCc3sccc23)ccc1CNC(=O)OC(C)(C)C	PC-id_18759814	420.953	YJFIRVMNYQZRAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125075
Clc1cc(NC(=O)c2sc3CCCCCCc3c2)ccc1C(=O)NCCOC	PC-id_52698481	420.953	AEHXPEUXEQPOHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125076
Clc1cc(NC(=O)CN(C(=O)c2sc3CCCCCCc3c2)C)c(OC)cc1	PC-id_9426151	420.953	KRYLRTUKYWXLMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125077
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccc(cc1Cl)F)(C)C	PC-id_111569389	420.955	ZDNUGFKWRXXASX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125078
CN=C(NCC(c1ccc(cc1Cl)F)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111569247	420.955	YUHXAXYMQRPBMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125079
Clc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COC)CC(C)C)CC2)cccc1	GD-id_ZINC12194153,PC-id_42454617	420.956	OPVHDHOLWNXRPD-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125080
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COC)CC(C)C)CC2)cccc1	PC-id_42454612	420.956	OPVHDHOLWNXRPD-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125081
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)COC)CC(C)C)CC2)cccc1	PC-id_74804609	420.956	OPVHDHOLWNXRPD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125082
CCNC(=NCCc1nnc2n1CCCCC2)NCCSc1ccc(cc1)Cl	PC-id_111372045	421.002	NWXIWSVHWOTUEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125083
CN=C(NCCSc1ccc(cc1)Cl)NCCCc1nnc2n1CCCCC2	PC-id_111372307	421.002	JPPCKSPRFUMOGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125084
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=C(C(=N3)C(=O)O)Br)C2)C	PC-id_161633643	421.064	WXNIDOIIAQRLDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125085
CC1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F	PC-id_154682233	421.072	YZNZSVDPYLZPTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125086
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OCC(NS2=O)CO	PC-id_154682342	421.072	JNBFPQUGIKKGJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125087
C1CN2C(=NN=C2C(F)(F)F)C(=O)NC(CC(=O)N1)CC3=CC(=C(C=C3F)F)F	PC-id_149913861,EMOLS-id_324200255	421.097	CJUCSNDPMOGZTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125088
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=C(N=NS3)C	PC-id_155203623	421.178	DRUPETLBNAKCFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125089
Brc1cc(sc1Br)C(N)c1sc2c(CCCCC2)c1	PC-id_80533198	421.214	HVTXSPDWQDUDNR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-125090
Brc1sc(Br)cc1C(N)c1sc2c(CCCCC2)c1	PC-id_43464823	421.214	YYPDNBVKAAZLRH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-125091
O=C1CCC(=O)Oc2c(O1)c(Cn1ncc(c1)c1ccc(cc1Cl)Cl)nn2C	PC-id_140810689	421.234	PQPRUUIFSMBQCN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125092
O=C(CN1CCCn2c(C1=O)cc(n2)C(=O)O)Nc1ccc(c(c1)C)Br	PC-id_112707400	421.245	XRMMCOIZRXLVIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125093
O=C(CN1CCCn2c(C1=O)cc(n2)C(=O)O)NCc1ccccc1Br	PC-id_112707360	421.245	IVISMAXNMQORRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125094
O=C(CN1CCCn2c(C1=O)cc(n2)C(=O)O)NCc1cccc(c1)Br	PC-id_112707452	421.245	KQPJCSPSTOHFAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125095
O=C(Nc1ccc(cc1Br)C)CN1CCCn2c(C1=O)cc(n2)C(=O)O	PC-id_112707388	421.245	GFYFXORWNGMWFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125096
O=C(Nc1ccc(cc1C)Br)CN1CCCn2c(C1=O)cc(n2)C(=O)O	PC-id_112707374	421.245	OTVSAVIHXMOSDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125097
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CC(C)(C)COC(=O)C3CCOC3	PC-id_155203707	421.258	RANJRKHJKYPTSI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125098
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCCOC(=O)C3CCOCC3	PC-id_155203684	421.258	QTSZOXVKEOGMNT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125099
CCC1=NN(C2=C1C(=O)NCCCOCCC2)C[C@@H](C)COC(=O)C3CCOCC3	PC-id_155203881	421.258	TUAJMHUZFWYZEK-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125100
Brc1cc(C(CCCCn2c3C(O)CN=CNc3nc2)C(=O)O)ccc1	PC-id_10835946	421.288	GCAXMJFXMWXPAI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125101
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)c1cccc(Br)c1	PC-id_10622071,BindingDB_PC-id_10622071,CHEMBL38002	421.288	QEPFKFBHKXYQLU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125102
O=C1C[C@@H](Cc2c(F)cc(F)c(F)c2)NC(=O)c2nnc(C(F)(F)F)n2CCN1	MCULE-3618291873	421.297	CJUCSNDPMOGZTM-MRVPVSSYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125103
C1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(c(cc1)Cl)Cl	PC-id_137637212	421.32	WEAUNJUWIXSQEE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125104
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC	PC-id_4168184	421.33	AMDKZIHQFZVVHU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125105
Brc1ccc(CCC(NC(=O)Cn2nc3n(CCCCC3)c2=O)C)cc1	PC-id_56001595	421.331	QOAQXAHTKWQVRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125106
Brc1ccc(C(CNC(=O)Cn2nc3n(CCCCC3)c2=O)(C)C)cc1	PC-id_55716680	421.331	BDUZXZBGSBJGJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125107
Brc1cc(OC(C)C)c(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_56050815	421.331	NTUWMFPGHMFFTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125108
Cc1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_86345515,SCHEMBL16099558	421.337	UZYFRZWMNOXPSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125109
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_19527324	421.337	VIIOGIYGSDQTSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125110
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(OC(F)F)cc(F)cc1	PC-id_19523869	421.337	OZDYKPCPDHFHPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125111
FC(F)(F)c1n2CCN(CCc2nn1)C(=O)C[C@H](N)Cc1c(F)cc(F)c(F)c1	PC-id_11189358,SCHEMBL3840092	421.34	VWBQNCURNHHWNJ-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125112
FC(F)(F)c1n2CCN(CCc2nn1)C(=O)CC(N)Cc1c(F)cc(F)c(F)c1	PC-id_85429282	421.34	VWBQNCURNHHWNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125113
FC(C1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C)F	SCHEMBL18352882	421.342	IQMXYGJSPSYGSB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125114
O=C(c1n(C)cc2c1C=CC(NS2(=O)=O)C(F)(F)F)Nc1ccc(c(c1)F)F	SCHEMBL18353448	421.342	MZRLMBFGAWUIKW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125115
Brc1cc(c(NC(=O)CNC(=O)c2sc3CCCCCc3c2)cc1)C	PC-id_24544485	421.351	GDOMWYSSNSVBHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125116
c1(c2CCCCCc2sc1NC(=O)CC)C(=O)Nc1ccc(cc1)Br	SPECS-id_AG-690/12887458,EMOLS-id_1280380,CHEMBL1437695,BAS-00832089,CoCoCo_138066,ZINC22_666143,ChEMBL-DNDi_CHEMBL3261-0740,PC-id_1007060,MCULE-6079411295	421.351	OGMLFITWRFVERK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125117
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)NCc1ccccc1)[N+](=O)[O-]	PC-id_89580180,SCHEMBL14965800	421.449	ZFDDONGPDDCFCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125137
CN(CC(=O)Nc1ccccc1Br)C(=O)c1cc2c(s1)CCCCC2	MCULE-8141492352,PC-id_4856978,CoCoCo_3210605,ZINC22_9284484,EMOLS-id_3479119,ChEMBL-DNDi_CHEMBL1724551	421.351	DGDNPEQHORLPEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125118
c1(C(=O)Nc2sc3c(CCCCC3)c2C#N)c(Cl)c2c(cc(cc2)Cl)s1	MCULE-3607665924,EMOLS-id_4103856,ZINC22_2088530,TIMTEC261910,PC-id_1746361,CoCoCo_5826742,SPECS-id_AK-968/15361021	421.363	KHVVDIZKLDLVKQ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-125119
c1(C(=O)NN=Cc2c(cccc2Cl)Cl)c2CCCCCCCCCCc2[nH]n1	MCULE-8671642309,PC-id_4327273	421.363	AWYUDVDSNRIXJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125120
c1(C(=O)NN=Cc2ccc(cc2Cl)Cl)c2CCCCCCCCCCc2[nH]n1	PC-id_1829438,MCULE-2236842516,EMOLS-id_26192048	421.363	KCVHWIJKTKLFQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125121
Clc1ccc(c(c1)Cl)/C=NNC(=O)c1[nH]nc2c1CCCCCCCCCC2	CoCoCo_3816426,CoCoCo_3816424	421.363	KCVHWIJKTKLFQR-OYKKKHCWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125122
Clc1ccc(c(c1)Cl)/C=N/NC(=O)c1n[nH]c2c1CCCCCCCCCC2	CoCoCo_3816425,STOCK3S-42952,CoCoCo_3816423,PC-id_6877848,EMOLS-id_206994584	421.363	KCVHWIJKTKLFQR-ZVHZXABRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125123
Clc1cccc(c1/C=NNC(=O)c1n[nH]c2c1CCCCCCCCCC2)Cl	GD-id_ZINC05642260,TIMTEC65502	421.363	AWYUDVDSNRIXJS-OYKKKHCWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125124
Clc1c(/C=N/NC(=O)c2n[nH]c3CCCCCCCCCCc23)c(Cl)ccc1	PC-id_40552202	421.363	AWYUDVDSNRIXJS-ZVHZXABRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125125
O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1n[nH]c2c1CCCCC2	MCULE-8968445969,EMOLS-id_316953357,ZINC22_622362730	421.363	GNVRQKBOEXXLCC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125126
Brc1ccc2-c(cc(OCCCCCCOCC3(COC3)CC)c2)cc1	PC-id_21063079	421.368	IDJSGTAJBSDRFH-UHFFFAOYSA-N	00001010100000000110000000000010000000000000000000000000	31-01-125127
Brc1ccc(SCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_3982191	421.374	FIZFVHLJIIECKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125128
Brc1cccc(c2nc(CSc3nnc4n3CCCCC4)cs2)c1	PC-id_16296613,CoCoCo_3082299,ZINC22_9713049,MCULE-7367145607,EMOLS-id_11717217	421.378	WTMNZOBSJKUUDR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125129
CCOC(=O)c1ccc(cc1)Cn1cc2c(c1Cn1ccnc1)OC(=O)C=CC(=O)O2	PC-id_140331004	421.403	VLKWVZZOIJSFCH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125130
C1CN(CCc2c1nc(o2)C(=O)Nc1cccc(c1)C(F)(F)F)Cc1cccs1	PC-id_134806208	421.436	IBYQNWYSUJMFAW-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-125131
OCCCN1CC(=O)N(c2c(C1=O)n(C)c(c2C)/C(=C/C(=CC)/OC(F)F)/C#C)C	SCHEMBL21114211,PC-id_138734410	421.438	CHONTQDGMCZULC-SHCXKJNLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125132
s1c(nc(C(=O)NCc2n3CCCCCc3nn2)c1)c1cc(ccc1)C(F)(F)F	PC-id_56332059	421.439	GKSBFOIVRJQSLA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125133
CCOC(=O)c1c(Nc2ccc(cc2F)[N+](=O)[O-])sc2c1CC(C)(C)CNC2=O	PC-id_69072877,SCHEMBL4509872	421.443	YRMBYKPPHNKZES-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125134
CC(CN1C(=O)[C@H](CCn2c1cc(n2)C)NC(=O)c1ncn(n1)CC1CC1(F)F)C	SCHEMBL19659593	421.444	BOHFKJAFQVOQKA-KZUDCZAMSA-N	00100000100000000101000000000010000000000000000000000000	31-01-125135
O=C1C(CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)CC1CCC(CC1)(F)F	SCHEMBL18366482	421.444	RWZGDQMUFYDQOO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125136
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cc(C4CC4)on2)CCC3)cc1	ZINC22_1565556208,EMOLS-id_313765576	421.449	PTDIZMODBLOXID-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-125138
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cccn(C)c2=O)CCC3)cc1	EMOLS-id_313765320,ZINC22_1565556441	421.449	ILTVNCTWSXZTQK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125139
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2ccncc2OC)CCC3)cc1	EMOLS-id_313765832,ZINC22_2055750864	421.449	FUOMLRPUSPILJT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125140
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)Cn2ccccc2=O)CCC3)cc1	ZINC22_1565556835,EMOLS-id_313761993	421.449	ZPQHMHOGWSJXSP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125141
O=c1n2CCCCCc2nn1CC(=O)Nc1cc2CCN(c2cc1)C(=O)c1ccoc1	PC-id_56363888	421.449	CELUWCZGOYIITQ-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-125142
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCc1occc1)Cc1ccccc1	PC-id_46049874	421.449	UIFDVLYDAAYGAH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125143
OC/C=C/c1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367274	421.452	SKLIVZPSYLRGAK-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125144
O=CCCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367278	421.452	VEXDFDRMYCZQDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125145
O=C(OCc1ccccc1)N1CCc2cc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1	SCHEMBL17112961,PC-id_118394522,BindingDB-id_913850	421.452	JZZLUZUCQVQRBW-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-125146
O=C(OCc1ccccc1)N1CCc2nc(cn2CC1)C(=O)N1CCc2[nH]nnc2C1	BindingDB-id_913851,SCHEMBL17112938,PC-id_118394502	421.452	NWBXKQTZFCIEGQ-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-125147
c1(NC(=S)NC(=O)c2ccc(c(F)c2)F)[nH]c2c(CCCCC2)c1C(=O)OCC	MCULE-9791128980,PC-id_1858931,STOCK3S-05565,EMOLS-id_4477634,ZINC22_2227153	421.461	QGMAUEHSYMLSKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125148
s1c2CCCCCc2cc1C(=O)NNC(=O)CCNC(=O)c1c(F)cc(F)cc1	PC-id_24461209	421.461	MTVSXJAXVKRVAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125149
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(F)cc(F)c1	PC-id_56053337	421.461	CJAPXNTYPDSGKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125150
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(F)c(F)cc1	PC-id_60550546	421.461	JYPLDHZBSWQCHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125151
COc1ccc(NC(=O)c2ccc3CCN(CCn23)C(=O)Cc2cccc(F)c2)cc1	ZINC22_585110969,EMOLS-id_313772237	421.464	KEBSGNABVDBBJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125152
Fc1cccc(c1)C(=O)NCc1nnc2CCN(Cc3ccc4OCCc4c3)CCn12	MCULE-5023738145,ZINC22_12080166,EMOLS-id_20690249,ChEMBL-DNDi_CHEMBL77807151,CoCoCo_1555543,CoCoCo_1555544,PC-id_42399012	421.467	WMJVXZIYJSIORF-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-125153
Fc1cc(/C=C/C(=O)NCCc2n3CCCCCc3nn2)ccc1Oc1cccnc1	PC-id_56312821	421.467	DJRKQNCWFHNBCM-CSKARUKUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125154
Fc1cc(C=CC(=O)NCCc2n3CCCCCc3nn2)ccc1Oc1cccnc1	PC-id_76348662	421.467	DJRKQNCWFHNBCM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125155
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)CCC1=O)C(=O)NC(=O)OCC	PC-id_7521936	421.467	YQEBNVYPMQCBTB-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-125156
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)N(C(C)C)C(=O)C1=O)C(=O)OC	PC-id_7975698	421.467	RKELZYVOEYNEMT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125157
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)N(CCC)C(=O)C1=O)C(=O)OC	PC-id_8626301	421.467	NEGWLNOBXDRYDG-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125158
s1c2CCCCCCc2nc1NC(=O)c1c([N+](=O)[O-])c(OC)c(OC)c(OC)c1	PC-id_56021340	421.467	GLQSJCPSDMEKFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125159
N1(Cc2ccco2)C(=O)c2c(cc(cc2)C(=O)Nc2sc3c(CCCCC3)n2)C1=O	MCULE-9868534400,EMOLS-id_334603645	421.469	OIEZZYBDWHUABR-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-125160
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)NC(=O)c1cccc(c1)[N+](=O)[O-]	PC-id_139710001	421.469	KZDHRQDMASKLJX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125161
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1oc2c(n1)cccc2)C#N	PC-id_30128612	421.469	YTDTWGGENFEHOR-ZHACJKMWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-125162
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1oc2c(n1)cccc2)C#N	PC-id_74605655	421.469	YTDTWGGENFEHOR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-125163
S1(=O)(=O)N(CCC1)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(O)cc1	PC-id_55933096	421.471	ZBSRSUHDCXRCTC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-125164
CC(=O)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671200,SCHEMBL21041572	421.478	WASXVBDBDWTXEX-UONOGXRCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125165
CC[NH+](CC1=CCC(=O)N(c2c1c(C)nn2C)Cc1cccc(c1)C(F)(F)F)CC	GD-id_ZINC20920543	421.479	GHXYYFSGWRXGBW-UHFFFAOYSA-O	00000000100000110111000000000010000000000000000000000000	31-01-125166
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(cc3F)F)CCn12	MCULE-2973920809,PC-id_45186789,EMOLS-id_20470573	421.484	CYQKTLSKGOZHRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125167
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3cc(F)cc(F)c3)CCn12	MCULE-5218120708,PC-id_45199497,EMOLS-id_20526445	421.484	UFHVSPALSQFOQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125168
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	CoCoCo_1229287,CoCoCo_1229286,ZINC22_11813660	421.484	CYQKTLSKGOZHRZ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125169
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	ZINC22_11813659,CoCoCo_1229289,CoCoCo_1229288	421.484	CYQKTLSKGOZHRZ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125170
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc(F)cc(F)c1)CC2	CoCoCo_1309622,ZINC22_20905940,CoCoCo_1309621	421.484	UFHVSPALSQFOQX-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125171
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc(F)cc(F)c1)CC2	CoCoCo_1309624,CoCoCo_1309623,ZINC22_20905938	421.484	UFHVSPALSQFOQX-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125172
S(c1n2CCCCCc2nn1)CC(=O)Nc1scc(n1)c1cc(F)c(F)cc1	PC-id_24439348	421.487	JGZNCLLQPFTHJE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125173
CCCS(=O)(=O)NCc1ccc(cc1F)C(=O)N1CC(=C)Nc2c(C1)cnn2C	PC-id_143188705	421.489	RPWSJLMSEFIZHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125174
S(=O)(=O)(NCC=C)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1F	PC-id_55909817	421.489	PHVRIHYXSPGLRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125175
C=CCn1c(=O)c(=Cc2ccc(cc2)F)sc1=C(c1nnc2n1CCCCC2)C#N	MCULE-9755690820,ChEMBL-DNDi_CHEMBL1379869,PC-id_2999533,EMOLS-id_42612870	421.491	ICBCYSMCNHYRSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125176
C=CCn1c(=O)/c(=Cc2ccc(F)cc2)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	ZINC22_102239098	421.491	ICBCYSMCNHYRSZ-NXNKHYCMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125177
O=C(NC(C(=O)NC1Cc2cnn(c2)CCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21110304,PC-id_138731144	421.491	MCLGPBWVTSJVLN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125178
O=C(NC(C(=O)NC1Cc2[nH]nc(c2)CCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21110376,PC-id_138731216	421.491	PKEKDISTCXLCCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125179
O(C(=O)C1CCCN(C1)C(=O)CN(C(=O)Cn1nc2n(CCCCC2)c1=O)C)CC	PC-id_56374310	421.491	JUBGWWAGQCXORD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125180
O(C(=O)C1CCN(CC1)C(=O)CN(C(=O)Cn1nc2n(CCCCC2)c1=O)C)CC	PC-id_56393588	421.491	MFESYLVRMBZGKK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125181
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc2oc(=O)n(c2cc1)C	PC-id_30713770	421.491	IXIKREHBRZGNME-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-125182
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)/c/1=C/c1ccc(F)cc1)CC=C	PC-id_2309341	421.491	ICBCYSMCNHYRSZ-NZMUFIEBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125183
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)/c/1=C/c1ccc(F)cc1)CC=C	PC-id_2309343	421.491	ICBCYSMCNHYRSZ-IMWYKSJCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125184
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1ccc(F)cc1)CC=C	PC-id_2309344	421.491	ICBCYSMCNHYRSZ-UUZKQMLZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125185
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)c1=Cc1ccc(F)cc1)CC=C	PC-id_7039299	421.491	ICBCYSMCNHYRSZ-SVLDOHDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125186
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccccc3OCC=C)CCn12	EMOLS-id_20520687,PC-id_45198158,MCULE-1517602749	421.492	KSNOEPJIKHGJPD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125187
c1(C(C)NC(=O)c2ccco2)nnc2CCN(CC=Cc3ccccc3OC)CCn12	PC-id_74799530,MCULE-7202430607	421.492	INOZSPCKTNVZEK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125188
c1(CN(c2ccc(cc2)OC)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	PC-id_7267270,ZINC22_4518126,ChEMBL-DNDi_CHEMBLF2559-0163,EMOLS-id_10086466,CoCoCo_2580210,MCULE-8176608014	421.492	XUHNYSUZNBAGLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125189
c1(CN(c2ccc(cc2)OC)C(=O)Nc2ccccc2OC)nnc2CCCCCn12	ZINC22_4518121,EMOLS-id_10085628,MCULE-2850996000,ChEMBL-DNDi_CHEMBLF2559-0161,PC-id_7267268,CoCoCo_2580208	421.492	MTJLEZKSOUWDDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125190
c1(CN(c2ccccc2OC)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	CoCoCo_2580172,EMOLS-id_10086672,ChEMBL-DNDi_CHEMBLF2559-0032,ZINC22_4518088,PC-id_7267245,MCULE-2383480592	421.492	INJUMLFHIVRHHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125191
c1(CN(c2ccc(cc2)OC)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	MCULE-9094143551,ZINC22_4518125,ChEMBL-DNDi_CHEMBLF2559-0162,PC-id_7267269,CoCoCo_2580209,EMOLS-id_10086582	421.492	OZOWNEWWUHHYDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125192
c1(CN(c2ccc(cc2OC)OC)C(=O)Nc2ccccc2)nnc2CCCCCn12	ZINC22_4518104,CoCoCo_2580192,MCULE-8366948991,PC-id_7267255,EMOLS-id_10085792	421.492	SFGOCODUVOKZBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125193
c1(CN(c2cccc(OC)c2)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	ChEMBL-DNDi_CHEMBLF2559-0048,ZINC22_4518098,CoCoCo_2580181,MCULE-2060418483,EMOLS-id_10086790,PC-id_7267250	421.492	LFCVIBGYBJQKAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125194
c1(CN(c2cccc(OC)c2)C(=O)Nc2ccccc2OC)nnc2CCCCCn12	CoCoCo_6271219,ZINC22_5223399,MCULE-5245376755,PC-id_7565907,EMOLS-id_10085622	421.492	YVYWTGBDGLOGAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125195
c1(CN(c2cccc(OC)c2)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	PC-id_7267249,ZINC22_4518096,EMOLS-id_10086788,MCULE-9527370101,ChEMBL-DNDi_CHEMBLF2559-0047,CoCoCo_2580180	421.492	NUJIRWVOAJABBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125196
c1(CN(c2ccc(c(OC)c2)OC)C(=O)Nc2ccccc2)nnc2CCCCCn12	CoCoCo_2580295,PC-id_7267331,EMOLS-id_10086798,MCULE-9818066833,ZINC22_4518209	421.492	ICDWLEMZSPHWHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125197
c1(CN(c2c(OC)ccc(OC)c2)C(=O)Nc2ccccc2)nnc2CCCCCn12	MCULE-9639092199,CoCoCo_2580263,PC-id_7267319,EMOLS-id_10085796,ZINC22_4518191	421.492	YUTKWFVLIRTZLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125198
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)OC)C(=O)Nc1ccccc1OC	MCULE-3760594950,PC-id_4752606,ZINC22_8474595	421.492	OKFZENQRMOKQJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125199
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)OC	ZINC22_8474590,PC-id_4752711,MCULE-9586538146	421.492	FXFAZYPNPQBHOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125200
c1(nnc2CCCCCn12)N(Cc1ccc(cc1OC)OC)C(=O)Nc1ccccc1	MCULE-1406614684,ZINC22_8473056,PC-id_4752654	421.492	OFMIPRDAUYLWQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125201
c1(nnc2CCCCCn12)N(Cc1cccc(OC)c1)C(=O)Nc1ccccc1OC	MCULE-5577086162,PC-id_4752603,ZINC22_8494652	421.492	YTVLMKDZYLYSSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125202
c1(nnc2CCCCCn12)N(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)OC	MCULE-5954568316,ZINC22_8475015,PC-id_4752745	421.492	NLKNTNCMBRNKTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125203
c1(nnc2CCCCCn12)N(Cc1cccc(OC)c1)C(=O)Nc1cccc(OC)c1	PC-id_4752744,MCULE-3900492191,ZINC22_8494647	421.492	YLLDLCMAXNURAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125204
c1(nnc2CCCCCn12)N(Cc1ccc(c(OC)c1)OC)C(=O)Nc1ccccc1	PC-id_4752749,MCULE-9424516304,ZINC22_8493694	421.492	ZTBZPRLVRDKYAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125205
c1(nnc2CCCCCn12)N(Cc1cc(OC)ccc1OC)C(=O)Nc1ccccc1	MCULE-2393918563,ZINC22_8472782,PC-id_4752656	421.492	VTSJEBMBGBTXEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125206
C/C(=Cc1ccco1)/CN1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1	CoCoCo_1557980,PC-id_25365674,ZINC22_59367269,CoCoCo_1557982,EMOLS-id_44854455	421.492	OUTBZDZTRYXZMM-NBVRZTHBSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125207
C=CCOc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccco3)n2CC1	CoCoCo_1520301,EMOLS-id_20667393,PC-id_28641312,CoCoCo_1520300,ZINC22_20118855,MCULE-8066411592	421.492	KLCIGHRKNMWPMJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125208
C=CCOc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	MCULE-7853607360,EMOLS-id_20665423,CoCoCo_1517439,PC-id_28634828,CoCoCo_1517438,ZINC22_20109935,ChEMBL-DNDi_CHEMBL69675222	421.492	MQVWRNSITODEAS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125209
C=CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC1	ZINC22_12034789,CoCoCo_1301246,CoCoCo_1301245,PC-id_42366091	421.492	KSNOEPJIKHGJPD-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125210
C=CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)c3ccco3)n2CC1	ZINC22_12034791,CoCoCo_1301248,PC-id_42366094,CoCoCo_1301247	421.492	KSNOEPJIKHGJPD-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125211
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(O)cc1)CC2	CoCoCo_1127455,ZINC22_11882004,CoCoCo_1127454,PC-id_42248029	421.492	MZTUUUQFQXUXBI-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125212
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(O)cc1)CC2	ZINC22_11882003,CoCoCo_1127453,CoCoCo_1127452,PC-id_42248027	421.492	MZTUUUQFQXUXBI-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125213
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccc(O)cc3)CCn12	PC-id_45169657,EMOLS-id_20396712,MCULE-7632065209	421.492	MZTUUUQFQXUXBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125214
CCOc1ccccc1NC(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	EMOLS-id_207877230,MCULE-8309481294	421.492	UMLAJUOEWGHNEM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125215
CN(Cc1cccnc1)C(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	EMOLS-id_207876647,MCULE-9836380074	421.492	QMPAFRFLNRGINE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125216
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)CCNC(=O)c1cocc1	CoCoCo_1484886,CoCoCo_1484884	421.492	DFMUBHBINHCVQC-IHWYPQMZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125217
COc1ccccc1/C=C/CN1CCc2nnc(C(C)NC(=O)c3ccco3)n2CC1	EMOLS-id_26000977,PC-id_45197973,ChEMBL-DNDi_CHEMBL31860094	421.492	INOZSPCKTNVZEK-VMPITWQZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125218
COc1ccccc1/C=C/CN1CCc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC1	CoCoCo_1299918,PC-id_42365529,ZINC22_12034247,CoCoCo_1299916	421.492	INOZSPCKTNVZEK-ZGRWHYIRSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125219
COc1ccccc1/C=C/CN1CCc2nnc([C@H](C)NC(=O)c3ccco3)n2CC1	PC-id_42365535,CoCoCo_1299922,ZINC22_12034250,CoCoCo_1299920	421.492	INOZSPCKTNVZEK-JZLODUJNSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125220
COc1ccccc1/C=CCN1CCn2c(CC1)nnc2[C@H](NC(=O)c1ccco1)C	CoCoCo_1299917,CoCoCo_1299915	421.492	INOZSPCKTNVZEK-CTEOGUNLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125221
COc1ccccc1/C=CCN1CCn2c(CC1)nnc2[C@@H](NC(=O)c1ccco1)C	CoCoCo_1299921,CoCoCo_1299919	421.492	INOZSPCKTNVZEK-AFCDSYGPSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125222
COc1ccccc1CNC(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	EMOLS-id_207877194,MCULE-5423465707	421.492	UHRRAEKEHIWPJY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125223
COc1ccccc1C(=O)NCc1nnc2CCN(CCn12)C(=O)[C@H]1C[C@H]2C[C@@H]1C=C2	EMOLS-id_26005907,PC-id_26342035,CoCoCo_1368566,ZINC22_14987485,MCULE-3504706625	421.492	XFWSQSPVKPAJRQ-RYRKJORJSA-N	00000011100000110101000000000110000000000000000000000000	31-01-125224
COc1ccccc1C(=O)NCc1nnc2n1CCN(CC2)C(=O)[C@H]1C[C@@H]2C[C@H]1C=C2	CoCoCo_1368567	421.492	XFWSQSPVKPAJRQ-JZXOWHBKSA-N	00000011100000110101000000000110000000000000000000000000	31-01-125225
COc1ccccc1C(=O)NCc1nnc2n1CCN(CC2)C(=O)[C@@H]1C[C@@H]2C[C@H]1C=C2	CoCoCo_1368568	421.492	XFWSQSPVKPAJRQ-LZLYRXPVSA-N	00000011100000110101000000000110000000000000000000000000	31-01-125226
COc1ccccc1C(=O)NCc1nnc2n1CCN(CC2)C(=O)[C@@H]1C[C@H]2C[C@@H]1C=C2	CoCoCo_1368569	421.492	XFWSQSPVKPAJRQ-SOLBZPMBSA-N	00000011100000110101000000000110000000000000000000000000	31-01-125227
COc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccco1	CoCoCo_1413806,CoCoCo_1413808	421.492	HQAQRCXGMIEKPG-RQOWECAXSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125228
COc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)C/C=C/c1ccco1	CoCoCo_1413807,PC-id_42428781,CoCoCo_1413809	421.492	HQAQRCXGMIEKPG-DUXPYHPUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125229
COc1ccc(/C=C/CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1	EMOLS-id_44853805,ZINC22_14981740,PC-id_26337562,CoCoCo_1484885,CoCoCo_1484887	421.492	DFMUBHBINHCVQC-NSCUHMNNSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125230
COc1cccc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)c1	CoCoCo_1360669,CoCoCo_1360670,MCULE-2292395962,ZINC22_20999749,PC-id_29259154,EMOLS-id_20561547	421.492	WUUWUEXFRDGRGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125231
COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)cc1OC	EMOLS-id_20430015,CoCoCo_1172614,MCULE-5221407816,ZINC22_19836352,PC-id_28389614,CoCoCo_1172615	421.492	AHYMNNBITOKUCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125232
COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c(OC)c1	CoCoCo_1285639,CoCoCo_1285638,ZINC22_20776143,EMOLS-id_20510019,PC-id_29150327,MCULE-9108468546	421.492	KLIWMRHIEFMCOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125233
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(OC)c2)c1	PC-id_16458900,CoCoCo_6602504,ZINC22_28534679,MCULE-9461212048	421.492	TTYNVTOQCORKEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125234
COc1ccc(COC2c3c(ncn3Cc3ccc(OC)cc3)N=CN(C)N2C)cc1	BindingDB_PC-id_11212345,CHEMBL9234,PC-id_11212345	421.492	CLPKSEJPYWUGKC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125235
COc1cccc(OC)c1CN1CCc2nnc(CNC(=O)c3ccccc3)n2CC1	EMOLS-id_20524253,PC-id_29154074,MCULE-6413787207,CoCoCo_1306401,CoCoCo_1306400,ZINC22_20785422	421.492	UXGAWRXEKYEUOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125236
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1OC	ZINC22_28534690,CoCoCo_6602510,PC-id_16458906,MCULE-9968812293	421.492	HKOKGIANXHWPCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125237
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c(OC)c1	PC-id_16458785,MCULE-1553464298,CoCoCo_6602047,ZINC22_28527850	421.492	RCGCZKGYDQIQJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125238
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2OC)cc1	ZINC22_28527814,CoCoCo_6601920,PC-id_16458769,MCULE-3765598791	421.492	LRWJQRSGBQRDQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125239
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(OC)c2)cc1	ZINC22_28527977,PC-id_16458838,CoCoCo_6602343,MCULE-9198121582	421.492	TYBJGLYDTVSDDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125240
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(OC)c2)cc1	MCULE-4132588984,PC-id_16458901,CoCoCo_6602505,ZINC22_28534682	421.492	VNQPQVQVGJIWDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125241
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(OC)cc2)cc1	PC-id_16458820,CoCoCo_6602287,ZINC22_28527942,MCULE-1655639322	421.492	VKMMIPWDWZYHIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125242
COc1ccc(OC)c(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c1	MCULE-5976292935,CoCoCo_1255784,PC-id_29085056,ZINC22_20598733,CoCoCo_1255785,EMOLS-id_20489221	421.492	IWAWMJJRHCRKOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125243
COc1ccc(O)c(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1	EMOLS-id_29555110,PC-id_26279679,MCULE-3972916874,ZINC22_14884157	421.492	OQIJGABOZOKNRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125244
COc1ccc(OC)c(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c1	CoCoCo_6602049,MCULE-9945450496,PC-id_16458787,ZINC22_28527854	421.492	OMRUGHVOCNJAIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125245
COc1ncc(cc1)CN1CCc2ncc(n2CC1)C(=O)NCCOc1ccccc1	PC-id_134810362	421.492	QCALMLVOLFVYRN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125246
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)CC=Cc1ccc(cc1)OC	MCULE-3200340519,PC-id_74498054	421.492	DFMUBHBINHCVQC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125247
n12CCN(CCc1nnc2CNC(=O)COc1ccccc1)CC(=Cc1ccco1)C	MCULE-5465072507,PC-id_74445380	421.492	OUTBZDZTRYXZMM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125248
o1c(C=CCN2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)ccc1	PC-id_74802433	421.492	HQAQRCXGMIEKPG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125249
Oc1ccc(CN2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)cc1	PC-id_56853541	421.492	IXUGNTWZAPURNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125250
O(c1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2ccc(OC)cc2)cccc1)C	PC-id_7565894	421.492	UDXFYDMIYMXEPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125251
O(c1c(N(Cc2n3CCCCCc3nn2)C(=O)Nc2c(OC)cccc2)cccc1)C	PC-id_7565887	421.492	VCBCLBRFTNKSFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125252
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(Oc2c(ccc(c2)C)C)nc1	PC-id_55725175	421.492	FQXRURXOCSZAHX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125253
O=c1n2CCCCCc2nn1CC(=O)NC(c1ccc(OCc2cccnc2)cc1)C	PC-id_55692576	421.492	UDCWEILQWWTWQM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125254
O=c1n2CCCCCc2nn1CC(=O)NC(c1cc(OCc2ncccc2)ccc1)C	PC-id_55868938	421.492	OOYPNVAWSGJTQV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125255
O=C(C1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NC1CC1	MCULE-4725187715,EMOLS-id_25387404,PC-id_46049866	421.492	ALEBHXLMQSERNT-UHFFFAOYSA-N	00100010100000110101000000000010000000000000000000000000	31-01-125256
O=C(C(C)C)NCCc1nnc2n1CCN(CC2)C(=O)c1cccc(c1)c1ccco1	ChEMBL-DNDi_CHEMBL49900932	421.492	BIYZOYHLPIZMAN-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-125257
O=C([C@H]1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NC1CC1	PC-id_93332274	421.492	ALEBHXLMQSERNT-LJQANCHMSA-N	00100010100000110101000000000010000000000000000000000000	31-01-125258
O=C([C@@H]1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NC1CC1	PC-id_93332275	421.492	ALEBHXLMQSERNT-IBGZPJMESA-N	00100010100000110101000000000010000000000000000000000000	31-01-125259
O=C(COc1ccccc1)NCc1nnc2n1CCN(CC2)C/C(=Cc1ccco1)/C	CoCoCo_1557979,CoCoCo_1557981	421.492	OUTBZDZTRYXZMM-JXAWBTAJSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125260
O=C(N1CCn2c(nnc2CNC(=O)c2c(OC)cccc2)CC1)C1C2CC(C1)C=C2	PC-id_74498515	421.492	XFWSQSPVKPAJRQ-UHFFFAOYSA-N	00000011100000110101000000000110000000000000000000000000	31-01-125261
O=C(N(Cc1n2CCCCCc2nn1)c1cc(OC)cc(OC)c1)Nc1ccccc1	PC-id_7566126	421.492	KIBZHLSGWCDBKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125262
O=C(NCCc1n2CCCCCc2nn1)C(NC(=O)c1occc1)Cc1ccccc1	PC-id_55536097	421.492	BOWOQWUOOOTYJK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125263
O=C(c1n2c(c(c1C)C=C(c1n3CCCCCc3nn1)C#N)cccc2)c1ccccc1	PC-id_78694027	421.494	KCTFNNTVEFYDQO-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-125264
O=C(c1n2c(c(c1C)/C=C(/c1n3CCCCCc3nn1)C#N)cccc2)c1ccccc1	PC-id_8426682	421.494	KCTFNNTVEFYDQO-CAPFRKAQSA-N	00000000100000110101000001000010000000000000000000000000	31-01-125265
S(=O)(=O)(c1cc2sc(NC(=O)Cn3nc4n(CCCCC4)c3=O)nc2cc1)C	PC-id_55561519	421.494	AOBQRLAWJDHTHU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-125266
COCCN1CCNc2c(C1=O)n(c(n2)CNCc1nccnc1)Cc1ccccc1	PC-id_134810775	421.495	RYSKTQNIHUBMLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125267
n12CCCCCc1nnc2/C(=C/c1c(nn(c1)Cc1ccccc1)c1cccnc1)/C#N	CoCoCo_3456462,PC-id_8275407	421.497	GYNGHIFXADDHGA-KGENOOAVSA-N	00000000100000111101100000000010000000000000000000000000	31-01-125268
n12CCCCCc1nnc2C(=Cc1c(nn(c1)Cc1ccccc1)c1cccnc1)C#N	PC-id_78650348	421.497	GYNGHIFXADDHGA-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-125269
N#C/C(=C/c1cn(nc1c1cccnc1)Cc1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3456463	421.497	GYNGHIFXADDHGA-STZFKDTASA-N	00000000100000111101100000000010000000000000000000000000	31-01-125270
CC1CCCC/C=C/Cc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18357891	421.504	OSVYTJSOCXJVOL-FNORWQNLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125271
s1c2CCCCCCc2nc1NC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C	PC-id_56095448	421.504	VDBJQWBKQDHUHB-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125272
s1c2CCCCCCc2nc1NC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C	PC-id_76298364	421.504	VDBJQWBKQDHUHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125273
Cc1cc(=NC)c2c(cc1)n(cn2)CCCCOC(=O)C(=C)CCc1ccc(cc1)F	PC-id_137245422	421.507	FPJNBBLWFNXKFF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125274
CNC1=CC(=C=Cc2c1ncn2CCCCOC(=O)C(=C)CCc1ccc(cc1)F)C	SCHEMBL19574934	421.507	ZIFFGXYMBLEIBK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125275
Fc1cc(C=C2c3n(nc(c3CCCC2)C(=O)NC(C2CC=CC=C2)CO)C)ccc1	PC-id_77963686	421.507	FOHNZKFIDDJWIQ-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-125276
Fc1cc(/C=C/c3n(nc(c3CCCC2)C(=O)N[C@H](C2CC=CC=C2)CO)C)ccc1	PC-id_70987984,SCHEMBL13753277	421.507	FOHNZKFIDDJWIQ-XTGWBNQCSA-N	00000000100011110101000000000010000000000000000000000000	31-01-125277
S(=O)(=O)(NC(CC(=O)OC)C(=O)OC)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194139	421.507	WLOMPNKBGRYYRJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-125278
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)OC	PC-id_3374006	421.509	NIZFHGDKIJASAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125279
s1c2c(CCCCC2)c(c1NC(=O)c1cc(Oc2ccccc2)ccc1)C(=O)OC	PC-id_4144010	421.509	HIOMEVDQTHBBDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125280
c1(NC(=O)CN2CCN(C(=O)C2=O)CC)sc2c(CCCCC2)c1C(=O)OCC	PC-id_7190232,EMOLS-id_5523385,CoCoCo_5058506,ZINC22_4326412,MCULE-9837518929	421.51	JPEBDBFGMAMHIS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125281
Cc1cccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1	EMOLS-id_20605305,ZINC22_14950567,CoCoCo_1426063,PC-id_26316156,CoCoCo_1426062,ChEMBL-DNDi_CHEMBL52051120,MCULE-6655193928	421.51	ICAGBRUZRVCGPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125282
Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1	CoCoCo_1375580,ChEMBL-DNDi_CHEMBL43453300,PC-id_26344563,EMOLS-id_20571565,CoCoCo_1375579,ZINC22_14989900,MCULE-2892046414	421.51	SCAOANTYSWRDQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125283
Cc1ccc(C(=O)NCCc2nnc3CCN(Cc4ccccc4F)CCn23)c(C)c1	CoCoCo_1171073,PC-id_42169222,MCULE-6508850974,EMOLS-id_20428881,ZINC22_11788661,CoCoCo_1171072	421.51	MJEKRDWDTVEDBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125284
CCc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1	PC-id_26278241,ZINC22_14882421,MCULE-8752372669,CoCoCo_1203581,CoCoCo_1203580,EMOLS-id_20452389	421.51	HIOSEBJIEJHLJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125285
c1(c2CCCCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1ccc(cc1)OC	MCULE-3361370723,EMOLS-id_2085470,ZINC22_1057515,PC-id_1248443,CoCoCo_665302	421.512	NNXZFKAXZVBMSJ-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-125304
CC(C)c1ccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1	MCULE-8014748233,PC-id_28957906,ChEMBL-DNDi_CHEMBL25049117,CoCoCo_1250227,EMOLS-id_20485325,CoCoCo_1250226,ZINC22_20455623	421.51	FUUUYBQSYFZMFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125286
CC(CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1)c1ccccc1	EMOLS-id_20469491,MCULE-7321871049,PC-id_45186549	421.51	JGUKSTIKOZPTIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125287
C[C@@H](CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1)c1ccccc1	ZINC22_11813099,CoCoCo_1227753,CoCoCo_1227755	421.51	JGUKSTIKOZPTIO-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125288
C[C@H](CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1)c1ccccc1	ZINC22_11813102,CoCoCo_1227752,CoCoCo_1227754	421.51	JGUKSTIKOZPTIO-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125289
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1)CC2	ZINC22_14993596,CoCoCo_1389356,CoCoCo_1389357,PC-id_26348839	421.51	XRWGNKRKECJCRD-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125290
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1)CC2	ZINC22_14993598,CoCoCo_1389359,CoCoCo_1389358,PC-id_26348841	421.51	XRWGNKRKECJCRD-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125291
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3cccc(F)c3)CCn12	ChEMBL-DNDi_CHEMBL45755125,PC-id_45212028,MCULE-5239817065,EMOLS-id_20580669	421.51	XRWGNKRKECJCRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125292
COc1cc(ccc1OC)CNS(=O)(=O)c1cn2c(c1)C(=O)N(CCC2)C(C)C	PC-id_53182971	421.51	BFZULRUHPWSAKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125293
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)Cc1cc(C)c(cc1C)C	CoCoCo_1224933,ChEMBL-DNDi_CHEMBL21872500,PC-id_28953353,CoCoCo_1224932	421.51	NBQYYRBOAJLXBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125294
Fc1ccc(cc1)C(=O)NCCc1nnc2CCN(CCCc3ccccc3)CCn12	MCULE-5476581008,PC-id_42190873,ZINC22_11814353,CoCoCo_1231077,CoCoCo_1231078,EMOLS-id_20471823	421.51	VPULVTDKQCTLKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125295
Fc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)CC(c1ccccc1)C	MCULE-2361407735,EMOLS-id_20497163,PC-id_45192856	421.51	KKMJOBBWROTAPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125296
Fc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)C[C@@H](c1ccccc1)C	CoCoCo_1267132,PC-id_42371840,CoCoCo_1267134	421.51	KKMJOBBWROTAPV-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125297
Fc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)C[C@H](c1ccccc1)C	CoCoCo_1267133,CoCoCo_1267131,PC-id_42371842	421.51	KKMJOBBWROTAPV-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125298
Fc1ccc(C(=O)NCCc2n3CCN(CCc3nn2)Cc2cc(cc(c2)C)C)cc1	PC-id_28099040	421.51	MHHMCKHARJGPQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125299
Fc1ccc(C(=O)NCCc2n3CCN(CCc3nn2)Cc2cc(c(cc2)C)C)cc1	PC-id_28392578	421.51	SBDOIVPRKRCGHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125300
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCNC(=O)OC(C)(C)C)C#N	PC-id_28238116	421.51	KZJXMDYDOPQEAS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125301
s1c2CCCCCCc2cc1C(=O)OCC(=O)C1C(N(CCC)C(=O)NC1=O)N	PC-id_78513550	421.51	FSJXOTHXMAUMSN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125302
c1(c2CCCCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1ccccc1OC	EMOLS-id_1230963,SPECS-id_AG-690/12883435,ZINC22_970530,MCULE-2778057869,BAS-00486768,CoCoCo_81746,PC-id_1202857	421.512	SYYYHOKIGOIDNB-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-125303
c1(c2CCCCCc2sc1NC(=O)c1ccncc1)C(=O)Nc1ccccc1OC	MCULE-4856307084,ZINC22_3100268,PC-id_3109200,EMOLS-id_1230965,BAS-00486769,CoCoCo_81747	421.512	MOUBJGAZFITVGJ-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-125305
c1(c2CCCCCc2sc1NC(=O)c1ccncc1)C(=O)Nc1ccc(cc1)OC	PC-id_1350760,ZINC22_1188703,CoCoCo_666106,EMOLS-id_2362735,MCULE-6687772508	421.512	MRTRURUASKWDMD-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-125306
CC(C)[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	CoCoCo_788329,PC-id_1224186,ZINC22_1000364	421.512	BPOVXPPWINEUBC-LJQANCHMSA-N	00000010100000100100000000001010000000000000000000000000	31-01-125307
CC(C)[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	PC-id_1224185,CoCoCo_788330,ZINC22_1000363	421.512	BPOVXPPWINEUBC-IBGZPJMESA-N	00000010100000100100000000001010000000000000000000000000	31-01-125308
CC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)Nc1sc2CCCCCc2c1C#N	ChEMBL-DNDi_CHEMBL4072-2560,MCULE-3323829132,ChEMBL-DNDi_CHEMBL1565766,CHEMBL1565766,STOCK2S-24648,EMOLS-id_2156650,PC-id_2900536,TIMTEC82464	421.512	BPOVXPPWINEUBC-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-125309
COc1ccc(cc1)C(=O)N1CCc2c(CC1)nc(s2)C(=O)NCc1ccccc1	PC-id_97442459	421.512	LYLMESWNUUCOJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125310
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)c2ccccc2)c1	ZINC22_96146942,EMOLS-id_44303852,PC-id_97442466	421.512	ISDYLZGRVRGJAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125311
COc1ccc(CC(=O)N2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)cc1	ZINC22_96146882,EMOLS-id_44303732,PC-id_97442406	421.512	FFHAIMTVNUXHMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125312
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)c2ccccc2)cc1	PC-id_97442477,ZINC22_96146953,EMOLS-id_44303874	421.512	LTKUXXHHFLNDBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125313
COc1ccc(OC)c(NCc2n[n+](CC(=O)c3ccccc3)c3n2CCCCC3)c1	ZINC22_95471940,PC-id_71700321	421.512	IXPZLRZMVRCIKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125314
N#Cc1c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)sc2c1CCCCC2	EMOLS-id_43678692,CoCoCo_2784300,ZINC22_3379165,MCULE-7757390506,PC-id_2497285	421.512	MOYZMNLLLMMHBC-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-125315
N#CC(=C1N(C)c2c(N1C)cccc2)C(=O)COC(=O)c1cc2c(s1)CCCCC2	MCULE-8799303891,PC-id_30697938,CoCoCo_4665456,EMOLS-id_44061486	421.512	LOYYLTQHPQFDJK-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-125316
O=C(c1c(sc2c1CCCCC2)NC(=O)c1ccccc1O)NCc1ccccn1	PC-id_145963789	421.512	ABSMVOYIYRGTDW-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-125317
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCn1c2c(cc1)cccc2)C#N	PC-id_30787694	421.512	GHUSNHCXRIQRDP-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-125318
s1c2CCCCCc2nc1NC(=O)c1cc(COc2c(cccc2)C(=O)N)ccc1	PC-id_56116229	421.512	WXGFKDKSGWACAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125319
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(=O)[nH]c(c2ccccc2)cc1	PC-id_55789400	421.512	LYAKGIIEGCDFPS-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-125320
CC(C(c1nnc2n1CCN(CC2)Cc1ccc2c(c1)OCO2)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL61091442,PC-id_45225471	421.514	FMVRLQGWCSAXHC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-125321
CC([C@H](c1nnc2n1CCN(CC2)Cc1ccc2c(c1)OCO2)NS(=O)(=O)C)C	CoCoCo_1474590,CoCoCo_1474591	421.514	FMVRLQGWCSAXHC-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-125322
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(cccc1)C(=O)Nc1ccccc1	PC-id_7877101	421.515	IMNIKJSUESLXGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125342
CC([C@@H](c1nnc2n1CCN(CC2)Cc1ccc2c(c1)OCO2)NS(=O)(=O)C)C	CoCoCo_1474593,CoCoCo_1474592	421.514	FMVRLQGWCSAXHC-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-125323
S(=O)(=O)(N1CCCCC1)c1oc(cc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_55634694	421.514	IQVZSNFDLLTSDA-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-125324
S(=O)(=O)(Nc1c(c(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1)C)CCC	PC-id_56121829	421.514	YIOMAZWUYJECPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125325
S(=O)(=O)(N(C)C)c1ccc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)C)cc1	PC-id_55893254	421.514	BCJNWTPOGJOGDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125326
S(=O)(=O)(NC(C)(C)C)c1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_56061125	421.514	GYNBRZVBSPAQHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125327
C1CCc2nnc(n2CC1)/C(=C(/C[NH+]1CCC(CC1)C(=O)Nc1ccccc1)O)/C#N	PC-id_135778410	421.515	LAGXVNSAXJQKPY-VXPUYCOJSA-O	00000000100010110101000000000010000000000000000000000000	31-01-125328
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cc4c(cccc4)s3)CCn12	EMOLS-id_20511953,MCULE-8508221336,PC-id_45196225	421.515	XBPHFAJUQINSHC-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-125329
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	CoCoCo_1288516,CoCoCo_1288515,ZINC22_11911346	421.515	XBPHFAJUQINSHC-OAHLLOKOSA-N	00000000101000100101000001000010000000000000000000000000	31-01-125330
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	CoCoCo_1288518,ZINC22_11911347,CoCoCo_1288517	421.515	XBPHFAJUQINSHC-HNNXBMFYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-125331
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)Cc1cc2c(cccc2)s1	CoCoCo_1458210,PC-id_28331894,MCULE-2696062533,CoCoCo_1458211,EMOLS-id_20626701,ZINC22_19771793	421.515	IXXWUZQCFISKME-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-125332
O(c1ccc(C[NH+]2CCn3c(nnc3CNC(=O)c3ncccc3)CC2)cc1)C(C)C	PC-id_42370078	421.515	CJQDGXLTVQXQHF-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-125333
O(c1c(cc(C[NH+]2CCn3c(nnc3CNC(=O)c3ncccc3)CC2)c(c1)C)C)C	PC-id_42397839	421.515	HOUZWBRFDTVFFR-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-125334
O(c1ccc(C[NH+]2CCn3c(nnc3CNC(=O)CCc3cccnc3)CC2)cc1)C	PC-id_42451973	421.515	NIHOUZDMLDZDNH-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-125335
O=C(Nc1ccccc1)C1CC[NH+](CC1)CC(=O)C(=C1N2CCCCCC2=NN1)C#N	PC-id_84935287	421.515	IXERYBDDSUBEFF-UHFFFAOYSA-O	00000011000010110111000000000010000000000000000000000000	31-01-125336
O=C(Nc1ccccc1)C1CC[NH+](CC1)CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_9134647	421.515	IXERYBDDSUBEFF-ZBJSNUHESA-O	00000011000010110111000000000010000000000000000000000000	31-01-125337
s1c2CCCCCc2cc1C(=O)NNC(=O)C=Cc1nnn(Cc2ccccc2)c1	PC-id_84927782	421.515	KVCUVAQXOQUXBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125338
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1nnn(Cc2ccccc2)c1	PC-id_9092555	421.515	KVCUVAQXOQUXBL-VAWYXSNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125339
s1cc(nc1C)COc1c(OC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_84963770	421.515	CRGQLYXOJWQGKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125340
s1cc(nc1C)COc1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_9252317	421.515	CRGQLYXOJWQGKF-LICLKQGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125341
Cc1ccccc1c1nnc(n1C)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135757051	421.519	XBHJASUXYWGGDH-MSUUIHNZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125343
CCc1ccc(cc1)c1nc(n[nH]1)SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135597171	421.519	CHUYKOAGIATHRZ-MSUUIHNZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125344
CCn1c(nnc1SC/C(=C(C#N)/c1nnc2n1CCCCC2)/O)c1ccccc1	PC-id_135597170	421.519	KYBXXHBXVKEOGS-MSUUIHNZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125345
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1n(CC)c(nn1)c1ccccc1	PC-id_84826642	421.519	DSDOWAJTBAHMSN-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-125346
S(CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N)c1n(CC)c(nn1)c1ccccc1	PC-id_8739756	421.519	DSDOWAJTBAHMSN-CAPFRKAQSA-N	00000011100000110111100000000010000000000000000000000000	31-01-125347
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1nc([nH]n1)c1ccc(CC)cc1	PC-id_84826842	421.519	CFNGBUANBFOBJC-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-125348
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1nc([nH]n1)c1ccc(CC)cc1	PC-id_8740232	421.519	CFNGBUANBFOBJC-SILNSSARSA-N	00000011100000110111100000000010000000000000000000000000	31-01-125349
S(CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1n(c(nn1)c1c(cccc1)C)C	PC-id_84877398	421.519	SBBZCBLWSFANOI-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-125350
S(CC(=O)/C(=C/1N2CCCCCC2=NN1)/C#N)c1n(c(nn1)c1c(cccc1)C)C	PC-id_8938976	421.519	SBBZCBLWSFANOI-SILNSSARSA-N	00000011100000110111100000000010000000000000000000000000	31-01-125351
c1(NC(=O)c2ccc(cc2)S(=O)(=O)C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_7267200,CoCoCo_5142644,ZINC22_4518037,MCULE-7275406185,EMOLS-id_5571160	421.53	BLWSTXPORGZPSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125352
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)C)sc2c(CCCCC2)c1C(=O)OC	PC-id_7254220,MCULE-8977067560,EMOLS-id_22735422,ChEMBL-DNDi_CHEMBLF2536-0146,CoCoCo_5137900,CHEMBL1453414,ZINC22_4496139	421.53	ANLDNULKRCMOPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125353
c1(NC(=O)CS(=O)(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_5189816,MCULE-9508377593,CoCoCo_5138380,EMOLS-id_5565580,PC-id_7544493	421.53	NCSPTVNCLBTUNE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125354
C=C[C@@H]1Cc2ccsc2CCN([C@@H]1C(=O)OC)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966502	421.53	LHUWEENJTMHSOS-KUHUBIRLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125355
CCOC(=O)C1=C(O)c2c(sc(C)c2C)N(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC22_104144367,NSC164675,CoCoCo_5502685,PC-id_54679328	421.53	FMFFSSQHODNBDG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-125356
CCOC(=O)[C@H]1CCN(c2c(C1=O)c(C)c(s2)C)S(=O)(=O)c1ccc(cc1)C	CoCoCo_5502686	421.53	VVHURUQAKMJEJF-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125357
CCOC(=O)[C@@H]1CCN(c2c(C1=O)c(C)c(s2)C)S(=O)(=O)c1ccc(cc1)C	CoCoCo_5502687	421.53	VVHURUQAKMJEJF-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125358
s1c2CCCCCc2cc1C(=O)OC(C(=O)c1ccc(NS(=O)(=O)C)cc1)C	PC-id_78610720	421.53	CELVPTBUJIPWKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125359
s1c2CCCCCc2cc1C(=O)OCC(=O)c1ccc(N(S(=O)(=O)C)C)cc1	PC-id_7594725	421.53	CZJKNKHOMBLPBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125360
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)c1ccc(NS(=O)(=O)C)cc1)C	PC-id_8128507	421.53	CELVPTBUJIPWKV-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125361
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)c1ccc(NS(=O)(=O)C)cc1)C	PC-id_8169480	421.53	CELVPTBUJIPWKV-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125362
s1c2c(CCCCC2)c(c1NC(=O)c1c(ccc(S(=O)(=O)C)c1)C)C(=O)OC	PC-id_52638643	421.53	YOOFSEIAMAZSOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125363
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(CS(=O)(=O)C)cc1)C(=O)OC	PC-id_55697827	421.53	FQDNEAJLRCNFHC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125364
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)CC)cc1)C(=O)OC	PC-id_7579468	421.53	XVEHYDRNGAGRAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125365
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)C)ccc1)C(=O)OCC	PC-id_7565661	421.53	WCYSCSMGGLLHFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125366
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)CC)ccc1)C(=O)OC	PC-id_7579081	421.53	HIUSYDXZXQIAPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125367
s1c2c(CCCCC2)c(c1NC(=O)c1c(S(=O)(=O)C)cccc1)C(=O)OCC	PC-id_7565521	421.53	CYHHZYBLNMOEOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125368
s1c2c(CCCCC2)c(c1NC(=O)c1c(S(=O)(=O)CC)cccc1)C(=O)OC	PC-id_7578669	421.53	PSMYRVDEUGSVSN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125369
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C)cc1)C(=O)OC	PC-id_41139607	421.53	SQVTVYAYNHSTTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125370
s1c2c(CCCCC2)c(c1NC(=O)CCS(=O)(=O)c1ccccc1)C(=O)OC	PC-id_7202584	421.53	LXRNWJGZUPTHIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125371
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)Cc1ccccc1)C(=O)OC	PC-id_41582035	421.53	AQGGGCZXPFBPIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125372
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)C)cc1	PC-id_46667533	421.53	YAQRLYCQBYMPOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125373
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)C)ccc1	PC-id_8943160	421.53	FNKNSPRKLOCXAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125374
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1c(S(=O)(=O)C)cccc1	PC-id_8943166	421.53	LTCPFDAADMWNDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125375
S(=O)(=O)(N1C(C(Cc2c(scc2)CC1)C=C)C(=O)OC)c1ccc(OC)cc1	PC-id_76495138	421.53	LHUWEENJTMHSOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125376
S(=O)(=O)(N1[C@H]([C@H](Cc2c(scc2)CC1)C=C)C(=O)OC)c1ccc(OC)cc1	PC-id_57223506	421.53	LHUWEENJTMHSOS-IFXJQAMLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125377
C=C/C=CC(=C/C)Cn1c2=CC=C(C=C=c2c(c1C)CC(=C)NN)OCCCC(=O)O	PC-id_143140049	421.532	GWHXIKPPJDLNSY-AOLFIHEHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-125378
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCC(CC1)C(=O)c1ccccc1)cc2	PC-id_10669880,SCHEMBL9042911	421.532	FBKZNDXMAKQFGR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-125379
s1c2c(CCCCC2)c(c1NC(=O)C[n+]1cc(c2ccccc2)ccc1)C(=O)OC	PC-id_8876210	421.532	QKCGQFQZDYHHGV-UHFFFAOYSA-O	00000000100000111100100000000010000000000000000000000000	31-01-125380
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)sc2c(CCCCC2)c1C(=O)N	MCULE-4994857653,PC-id_7121688,CoCoCo_5014632,EMOLS-id_4948385,ZINC22_4176863	421.534	FSVWCYCHIQDYFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125381
c1(NC(=O)CCC(=O)Nc2ccccc2S(=O)(=O)C)sc2c(CCCCC2)n1	EMOLS-id_335061388,MCULE-2622073652	421.534	ITXTVXJVEIJGBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125382
c1(NC(=S)NNC(=O)c2ccco2)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4104216,PC-id_3273008,MCULE-5289779717,CoCoCo_6799927,TIMTEC391285	421.534	PWFBBOJYSDYZSI-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-125383
c1(sc2c(CCCCCC2)c1C(=O)N)NS(=O)(=O)c1ccc(cc1)NC(=O)C	ZINC22_2742029,CoCoCo_6815226,PC-id_4525862,MCULE-4488153702,TIMTEC236499,EMOLS-id_4104222	421.534	JFWAMSRMMCNXIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125384
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)S(=O)(=O)C2CC2)c1	ZINC22_1259272545,EMOLS-id_313793592	421.534	ACSZHJDNEIVJQM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-125385
COC(=O)c1c(NC(=O)CSc2nc(C)cc(O)n2)sc2CCCCCCc12	PC-id_135413862,TIMTEC99065,ZINC22_15022368,MCULE-3325005896,EMOLS-id_6828693	421.534	CICTYRJQAYSBLK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-125386
CS(=O)(=O)CCC(=O)N1CCc2nc(C(=O)NCc3ccccc3)sc2CC1	ZINC22_1142529087,EMOLS-id_313791801	421.534	GHQVJOZVIWZLGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125387
Fc1ccc(C2NNCC2C[NH+]2CCn3c(nnc3CCc3ccccc3)CC2)cc1	PC-id_74580055	421.534	HASQGVVRFYPMAZ-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-125388
O=C(c1cccc(c1)NS(=O)(=O)C)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_31319515,MCULE-5265066803,PC-id_25444396	421.534	DSLDCVNEGZLWKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125389
O=C(N1CC(CCC1)CN(C)C(=O)OC(C)(C)C)Cn1nc2n(CCCCC2)c1=O	PC-id_56175382	421.534	ZAWMQAIERDVCEH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125390
O=C(Nc1nc2CCCCCc2s1)c1ccc(cc1)S(=O)(=O)N1CCOCC1	MCULE-1258533163,EMOLS-id_323446733	421.534	LGCGHIMEAKOSCQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125391
O=C(N(CC1N(CCC1)CC)CCC(=O)OCC)Cn1nc2n(CCCCC2)c1=O	PC-id_56230020	421.534	MPHVZCPCWRQJSD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125392
O=C(NNC(=O)c1cc2c(s1)CCCCC2)CCNS(=O)(=O)c1ccccc1	CoCoCo_3430030,PC-id_31845346,EMOLS-id_43872943,MCULE-7984659736	421.534	YEPNEWKMUOMYTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125393
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	PC-id_9300991	421.534	HJJJRGHPZKVKBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125394
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NCC)cc1	PC-id_9301056	421.534	KGQUZZUGKKOKEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125395
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1	PC-id_9301151	421.534	SMLPVDRMBFECHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125396
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(NS(=O)(=O)CC)cccc1	PC-id_56164274	421.534	IAQVJINYGQDPQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125397
s1c2CCCCCc2cc1C(=O)NNC(=O)CN(S(=O)(=O)c1ccccc1)C	PC-id_32369741	421.534	QPMRHRRZNDQPMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125398
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCN1CCSC1=O)C)C#N	PC-id_55442918	421.534	NWVTXIOGNKOHPI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125399
s1c2CCCCCc2nc1NC(=O)CCNS(=O)(=O)c1ccc(cc1)C(=O)C	PC-id_30217095	421.534	JYHYAWNYDXLDBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125400
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NC)cc1	PC-id_24487624	421.534	YJZLXZLEXGXEIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125401
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N)c(cc1)C	PC-id_9089402	421.534	CWZPNSJZYJIOCD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125402
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(cc1)C(=O)NC	PC-id_26781480	421.534	QFVIXYOPAUFFAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125403
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(NC(=O)C)cc1	PC-id_8482871	421.534	GWVZIBJCFHPNJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125404
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[nH]c(=O)ccn1)C(=O)OCC	PC-id_4280532	421.534	UUMMAWYOXCPJDS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-125405
S(=O)(=O)(NC1CC1)c1cc(ccc1OC)C(=O)Nc1sc2CCCCCc2n1	PC-id_24611834	421.534	HVIZFQOOHWTPBW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-125406
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3)C)CCn12	PC-id_45213488,EMOLS-id_20586991,MCULE-7955304950	421.535	SVFMORRGCMIXQU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125407
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(C)c3)CCn12	PC-id_45191570,MCULE-9272594122,EMOLS-id_20491465	421.535	OFRZCWUFJFPXLL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125408
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(cc3)c3ccco3)CCn12	EMOLS-id_20605259,MCULE-7644568169,PC-id_45217843	421.535	SLARTPYQDGFRHH-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-125409
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3cccc(c3)c3ccco3)CCn12	MCULE-1005510599,PC-id_45186271,EMOLS-id_20468351	421.535	AMRHSHCXFPAKSN-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-125410
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccc(cc3C)C)CCn12	EMOLS-id_20576797,MCULE-4955648782,PC-id_45211140,ChEMBL-DNDi_CHEMBL44761539	421.535	FCIXDBXTCRSKHK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125411
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccc(cc3)CC)CCn12	PC-id_45206200,EMOLS-id_20555749,ChEMBL-DNDi_CHEMBL39674918,MCULE-2204826868	421.535	KHIDEZSFUASJQW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125412
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3cc(C)ccc3C)CCn12	ChEMBL-DNDi_CHEMBL37777354,PC-id_45166618,EMOLS-id_20547229,MCULE-6904976761	421.535	HOXXHZMKITYHDE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125413
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3cc(C)cc(C)c3)CCn12	PC-id_45192505,EMOLS-id_20495609,MCULE-3026531953	421.535	LNHTVYXMFKWMCQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125414
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccccc3c3ccco3)CCn12	EMOLS-id_20552419,PC-id_45205442,MCULE-3539672792	421.535	NZSSLEPOFBQRNP-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-125415
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3ccc(cc3)C(C)C)CCn12	MCULE-3007855569,CoCoCo_1162138,PC-id_42449204,EMOLS-id_20422519,CoCoCo_1162137,ZINC22_12183390	421.535	PSIJCWKREJNALJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125416
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(CCC(C)c3ccccc3)CCn12	EMOLS-id_20586805,MCULE-8428457399,PC-id_45213452	421.535	YPZMMPVIDCURJA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125417
C1(=O)N[C@H](CN(c2cn(nc12)CCC1CCNCC1)C(=O)C1CC1)Cc1ccccc1	PC-id_45486048,CHEMBL585386	421.535	RFECNVIKVOJCOA-FQEVSTJZSA-N	00100000100010110101000000000010000000000000000000000000	31-01-125418
Cc1cc(C)cc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1	CoCoCo_1264849,CoCoCo_1264848,ZINC22_20599874	421.535	LNHTVYXMFKWMCQ-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125419
Cc1cc(C)cc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1	CoCoCo_1264850,CoCoCo_1264851,ZINC22_20599875	421.535	LNHTVYXMFKWMCQ-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125420
Cc1ccc(C)c(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1	ZINC22_20993880	421.535	HOXXHZMKITYHDE-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125421
Cc1ccc(C)c(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1	ZINC22_20993883	421.535	HOXXHZMKITYHDE-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125422
Cc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1	CoCoCo_1258890,CoCoCo_1258889,ZINC22_20599110	421.535	OFRZCWUFJFPXLL-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125423
Cc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1	ZINC22_20599109,CoCoCo_1258887,CoCoCo_1258888	421.535	OFRZCWUFJFPXLL-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125424
Cc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1	CoCoCo_1398824,ZINC22_14996697,CoCoCo_1398825	421.535	SVFMORRGCMIXQU-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125425
Cc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1	CoCoCo_1398826,ZINC22_14996700,CoCoCo_1398827	421.535	SVFMORRGCMIXQU-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125426
Cc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1	CoCoCo_1383586,ZINC22_23340039,CoCoCo_1383587	421.535	FCIXDBXTCRSKHK-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125427
Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1	ZINC22_23340041,CoCoCo_1383589,CoCoCo_1383588	421.535	FCIXDBXTCRSKHK-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125428
Cc1cc(C(=O)NCc2nnc3n2CCN(CC[C@H](C)c2ccccc2)CC3)c(C)o1	CoCoCo_1398577,ZINC22_14996571,PC-id_26352265,CoCoCo_1398579	421.535	YPZMMPVIDCURJA-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125429
Cc1cc(C(=O)NCc2nnc3n2CCN(CC[C@@H](C)c2ccccc2)CC3)c(C)o1	CoCoCo_1398578,CoCoCo_1398576,PC-id_26352270,ZINC22_14996574	421.535	YPZMMPVIDCURJA-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125430
CCc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	CoCoCo_1352078,ZINC22_20998002,CoCoCo_1352079	421.535	KHIDEZSFUASJQW-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125431
CCc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	ZINC22_20998000,CoCoCo_1352081,CoCoCo_1352080	421.535	KHIDEZSFUASJQW-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125432
CCc1ccc(o1)CN1CCc2n(CC1)c(nn2)C(NC(=O)CCc1ccccc1)C	ChEMBL-DNDi_CHEMBL10520778	421.535	JOXCHOBGISMRDP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125433
CC(C(c1nnc2n1CCN(CC2)Cc1ccc(c(c1)C)C)NC(=O)c1cocc1)C	PC-id_45165784,ChEMBL-DNDi_CHEMBL14793422	421.535	YXFHVDQHORCSPB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125434
CC(C)Cc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1	CoCoCo_1271749,CoCoCo_1271748,ZINC22_20600758,PC-id_29087909,MCULE-3048129654,EMOLS-id_20500299	421.535	QQQPZUGIPGQYPX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125435
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccccc1c1ccco1)CC2)C(C)C	CoCoCo_1347144,ZINC22_12244633,CoCoCo_1347145	421.535	NZSSLEPOFBQRNP-HSZRJFAPSA-N	00000000101000110101100000000010000000000000000000000000	31-01-125436
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccccc1c1ccco1)CC2)C(C)C	CoCoCo_1347146,ZINC22_12244632,CoCoCo_1347147	421.535	NZSSLEPOFBQRNP-QHCPKHFHSA-N	00000000101000110101100000000010000000000000000000000000	31-01-125437
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(c3ccco3)cc1)CC2	ZINC22_14950512,CoCoCo_1426008,CoCoCo_1426007	421.535	SLARTPYQDGFRHH-OAQYLSRUSA-N	00000000101000110101100000000010000000000000000000000000	31-01-125438
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(c3ccco3)cc1)CC2	ZINC22_14950516,CoCoCo_1426009,CoCoCo_1426010	421.535	SLARTPYQDGFRHH-NRFANRHFSA-N	00000000101000110101100000000010000000000000000000000000	31-01-125439
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(c3ccco3)c1)CC2	CoCoCo_1226001,ZINC22_11784282,CoCoCo_1226002	421.535	AMRHSHCXFPAKSN-OAQYLSRUSA-N	00000000101000110101100000000010000000000000000000000000	31-01-125440
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(c3ccco3)c1)CC2	CoCoCo_1226004,CoCoCo_1226003,ZINC22_11784283	421.535	AMRHSHCXFPAKSN-NRFANRHFSA-N	00000000101000110101100000000010000000000000000000000000	31-01-125441
O=C(N1CC(NC(=O)c2nn(CCC3CCNCC3)cc12)Cc1ccccc1)C1CC1	PC-id_75116399	421.535	RFECNVIKVOJCOA-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-125442
O=C(NCCc1n2CCCCCc2nn1)C1CCN(CC1)C(=O)/C=C/c1ccccc1	PC-id_60389601	421.535	RUTDQKLDNKGVPR-ZHACJKMWSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125443
O=C(NCCc1n2CCCCCc2nn1)C1CCN(CC1)C(=O)C=Cc1ccccc1	PC-id_76857798	421.535	RUTDQKLDNKGVPR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125444
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)cc(n1)N)C(=O)OC	PC-id_24029057	421.537	XNPZUIRPVIKQJC-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-125445
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1nc(N)cc(n1)N)C)C(=O)OC	PC-id_23998269	421.537	GXUWHCSFADEMBA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-125446
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1)CC)C(=O)N)C(=O)OC	PC-id_20173597	421.537	PSFRLDHWOMPYEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125447
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1)C)C(=O)N)C(=O)OCC	PC-id_20173531	421.537	RLZKIJKXOQAOTF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125448
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(nn(c1)C)C(=O)N)C(=O)OCC	PC-id_20173690	421.537	FLMBBEBOPMFZCM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125449
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1C(=O)N)CC)C(=O)OC	PC-id_20173761	421.537	CROHXXJIMLLRGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125450
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1)C)C(=O)N)C(=O)OC	PC-id_20173524	421.537	DAZZWHCCRUEKKK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125451
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(nn(c1)C)C(=O)N)C(=O)OC	PC-id_20173683	421.537	KOYOEXDSWQAPAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125452
CC(C)c1ccc(Cn2nccc2NC(=O)NCCc2nnc3n2CCCCC3)cc1	PC-id_75457764,ZINC22_95942242,MCULE-3302665845,EMOLS-id_48837278	421.539	FPHRWBRSSRUJKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125453
CCNC(=NCc1coc(n1)c1ccc(cc1)C)NCCc1nnc2n1CCCCC2	PC-id_111590895	421.539	VSBFIAQWPIHXDT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125454
CN=C(NCc1coc(n1)c1ccc(cc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111591847	421.539	CJHUNKZQJPZQNR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125455
O=C(NCc1n2CCCCCc2nn1)/C=C/c1c(n(c2n(ncc2)C(C)C)c(c1)C)C	PC-id_24676699	421.539	KMZXHZQWRIVFPV-MDZDMXLPSA-N	00000000110000000101100000000010000000000000000000000000	31-01-125456
O=C(NCc1n2CCCCCc2nn1)C=Cc1c(n(c2n(ncc2)C(C)C)c(c1)C)C	PC-id_74311140	421.539	KMZXHZQWRIVFPV-UHFFFAOYSA-N	00000000110000000101100000000010000000000000000000000000	31-01-125457
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(F)cc1)C(=O)OC	PC-id_41271704	421.549	IJZZFBKPZWFKQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125458
s1c2c(CCCCC2)c(c1NC(=O)CCSc1ccc(F)cc1)C(=O)OCC	PC-id_7546391	421.549	KHXBNEZCAUTZEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125459
c1(c2CCCCCCCCCCc2sc1NC(=O)C=CC(=O)O)C(=O)OC(C)C	PC-id_4291938,MCULE-2029057265	421.55	WPSRTNAHEXUSFM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125460
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCCCCCC2)c1C(=O)OCC	EMOLS-id_4104280,PC-id_4169001,MCULE-3217902258,TIMTEC449284	421.55	SIXQTILVKGYZMI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-125461
c1(NC(=O)C=CC(=O)O)sc2c(CCCCCCCCCCC2)c1C(=O)OCC	MCULE-3698037204,PC-id_4175878	421.55	PPFHSZBBHMRHIV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125462
CC(C)OC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCCCCCCC2	EMOLS-id_46450371,TIMTEC530736,CoCoCo_6790177,PC-id_6060121,ZINC22_5633316	421.55	WPSRTNAHEXUSFM-BUHFOSPRSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125463
CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCCCCCCCC2	CoCoCo_6813705,EMOLS-id_46454636,TIMTEC385055,PC-id_6028657,ZINC22_6758435	421.55	PPFHSZBBHMRHIV-CCEZHUSRSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125464
CCOC(=O)c1c(NC(=O)/C=CC(=O)O)sc2c1CCCCCCCCCCC2	CoCoCo_6813706	421.55	PPFHSZBBHMRHIV-PFONDFGASA-N	00000000100000000100000000000010000000000000000000000000	31-01-125465
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCC2	CoCoCo_6813609,ZINC22_2772069,PC-id_40439308	421.55	SIXQTILVKGYZMI-HUUCEWRRSA-N	00000000100010000100000000000010000000000000000000000000	31-01-125466
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCC2	CoCoCo_6813612,PC-id_40439312,ZINC22_2772071	421.55	SIXQTILVKGYZMI-CABCVRRESA-N	00000000100010000100000000000010000000000000000000000000	31-01-125467
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCC2	PC-id_40439310,ZINC22_2772070,CoCoCo_6813611	421.55	SIXQTILVKGYZMI-GJZGRUSLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-125468
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCC2	ZINC22_2772068,PC-id_40439306,CoCoCo_6813610	421.55	SIXQTILVKGYZMI-LSDHHAIUSA-N	00000000100010000100000000000010000000000000000000000000	31-01-125469
CS(=O)C[C@@H]([C@@](C(=O)O)(CC1=C(C)CCC=Cc2c1cc(o2)CCC1CC1)O)N	PC-id_145151336	421.55	GGZZSTINKUQVGT-BXILFSKMSA-N	00100000100000000110000000000010000000000000000000000000	31-01-125470
OC(=O)/C=CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCCCCCCC2	CoCoCo_6790178	421.55	WPSRTNAHEXUSFM-YPKPFQOOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125471
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CCC1CCCCC1)C(=O)OC	PC-id_4315321	421.55	PILSMJOIIZHPRZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-125472
Cc1c(c2c(n1CC=O)CCCCC2)Cc1ccccc1S(=O)(=O)c1ccccc1	SCHEMBL13417490,PC-id_89081640	421.552	HBUPZBPYOSGSHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125473
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(n(c(c1)C)Cc1ccccc1)C	PC-id_7352075	421.552	HECJNCVPZXSJCM-UHFFFAOYSA-N	00000000110000110100000000000010000000000000000000000000	31-01-125474
s1c2CCCCCCc2nc1NC(=O)C(SCC(=O)Nc1ccc(F)cc1)C	PC-id_56060814	421.552	QQTUSTKZVCQCKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125475
COc1ccc(cc1)N=[N+]=C1C=CC(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)C=C1	PC-id_101470402	421.553	NLNWEJFJVUCYCN-UHFFFAOYSA-N	00000010100011110110000000000010000000000000000000000000	31-01-125476
c1(NC(=O)CCC(=O)NCC2CCC(CC2)C(=O)OC)sc2c(CCCCC2)n1	MCULE-8510990929,EMOLS-id_335079041	421.554	OKQACXQXJUYSRQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125477
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCCN(C1)C(=O)OC(C)(C)C	PC-id_24554127	421.554	OWTFAHAXJAWHOH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-125478
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)OC(C)(C)C	PC-id_9163637	421.554	QLCVXNYZODXMBI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-125479
c1(c2CCCCCc2sc1NCc1ccccn1)C(=O)Nc1ccccc1OCC	PC-id_1166930,CoCoCo_306093,ZINC22_920932,BAS-03715746,EMOLS-id_1439653,MCULE-1856450502	421.555	KDMIONNKZSNYGF-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-125480
c1(c2CCCCCc2sc1NCc1cccnc1)C(=O)Nc1ccccc1OCC	ZINC22_920935,BAS-03715748,EMOLS-id_1439655,PC-id_1166933,CoCoCo_306094,CK1225447,MCULE-9085036225	421.555	YANPJCGVZQFSRV-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-125481
c1(c2CCCCCc2sc1NCc1ccncc1)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_16406290,PC-id_3601393,MCULE-9380635532,CoCoCo_2720542	421.555	SGOUJFMHNQKYBR-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-125482
c1(c2CCCCCc2sc1NCc1ccncc1)C(=O)Nc1ccccc1OCC	ZINC22_920939,BAS-03715749,MCULE-2734572439,EMOLS-id_1439657,CoCoCo_306095,PC-id_1166936	421.555	NBVPYQRIYJXACF-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-125483
COc1ccc(cc1/C=C/CN1CCc2c(CC1)nc(s2)N)OCc1ccccc1	SCHEMBL7286523,PC-id_19985755	421.555	AREJKZHIIRFOOW-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125484
COc1ccc(cc1OCc1ccccc1)/C=C/CN1CCc2c(CC1)nc(s2)N	PC-id_19985951,SCHEMBL7291818	421.555	GRYNSYDVKCRGGW-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125485
COc1cc(/C=C/CN2CCc3c(CC2)nc(s3)N)cc(c1)OCc1ccccc1	SCHEMBL7285250,PC-id_19985853	421.555	PPADVGBTKFLQOE-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125486
COc1cccc(CNC(=O)c2nc3CCN(CCc4ccccc4)CCc3s2)c1	ZINC22_1201597576,EMOLS-id_313792312	421.555	YEXVSIDFROSORG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125487
COc1c(/C=C/CN2CCc3c(CC2)nc(s3)N)cccc1OCc1ccccc1	SCHEMBL7282627,PC-id_19985985	421.555	DTTHDAFXMDWXHY-UXBLZVDNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125488
COc1ccc(CNC(=O)c2nc3CCN(CCc4ccccc4)CCc3s2)cc1	EMOLS-id_313792055,ZINC22_1201597282	421.555	TXAOFSISYHIKER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125489
O=C(Nc1sc2=CCC(=CC=c2n1)C(=O)Nc1ccccc1C)CC1CCCCC1	PC-id_141951392	421.555	TWSNEQQJBOUNKR-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-125490
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCC(=CC1)c1ccc(O)cc1)C)C#N	PC-id_24682341	421.555	IKZXVJRMYZFVAZ-UHFFFAOYSA-N	00000000100011110100100000000010000000000000000000000000	31-01-125491
s1c2CCN(CCc2nc1N)CC=Cc1cc(OCc2ccccc2)cc(OC)c1	PC-id_54200679	421.555	PPADVGBTKFLQOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125492
s1c2CCN(CCc2nc1N)CC=Cc1cc(OCc2ccccc2)c(OC)cc1	PC-id_53854168	421.555	GRYNSYDVKCRGGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125493
s1c2CCN(CCc2nc1N)CC=Cc1c(OC)ccc(OCc2ccccc2)c1	PC-id_53657943	421.555	AREJKZHIIRFOOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125494
s1c2CCN(CCc2nc1N)CC=Cc1c(OC)c(OCc2ccccc2)ccc1	PC-id_53778797	421.555	DTTHDAFXMDWXHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125495
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)OCC)CCn12	ChEMBL-DNDi_CHEMBL44677474,EMOLS-id_20576479,PC-id_45211062,MCULE-5051568194	421.557	ICWAUHMEWZXXHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125496
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccccc3OCC)CCn12	PC-id_45243484,EMOLS-id_20711841,ChEMBL-DNDi_CHEMBL85309091,MCULE-7012797509	421.557	SXUGFUANLLCQMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125497
c1(CN(CC)C(=O)c2ccc3CN(CCCn23)S(=O)(=O)C)c(C)nn(CC)c1C	EMOLS-id_317418333,MCULE-9516489939	421.557	OFJSGBWJQGCXIL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125498
CCCn1nc(C)cc1CN(CC)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317417053,MCULE-4782601908	421.557	NSHOMCNIFISGBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125499
CCCS(=O)(=O)N1CCCCC(C1)NC(=O)NC1=Nc2c(CC(=C1)CC)[nH]cc2	PC-id_91500400	421.557	LWHSRQIWLJXRNB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-125500
CCOc1ccccc1CN1CCc2nnc([C@@H](NS(=O)(=O)C)C(C)C)n2CC1	CoCoCo_1588594,CoCoCo_1588593,ZINC22_14992005	421.557	SXUGFUANLLCQMM-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-125501
CCOc1ccccc1CN1CCc2nnc([C@H](NS(=O)(=O)C)C(C)C)n2CC1	ZINC22_14992007,CoCoCo_1588591,CoCoCo_1588592	421.557	SXUGFUANLLCQMM-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125502
CCOc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	CoCoCo_1383116,ZINC22_14991858,CoCoCo_1383115	421.557	ICWAUHMEWZXXHU-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125503
CCOc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	CoCoCo_1383117,ZINC22_14991856,CoCoCo_1383118	421.557	ICWAUHMEWZXXHU-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-125504
COc1ccc(cc1C)CN1CCn2c(CC1)nnc2C(C(C)C)NS(=O)(=O)C	ChEMBL-DNDi_CHEMBL82916864,PC-id_45167345	421.557	QASLGIAOSAZAME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125505
C1CN(CCN1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)NCCc1ccccc1	PC-id_89125825	421.558	DYDDQLZJJLYGBR-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-125506
CC1C=Cc2c(CN=C(N=C1)NCc1ccccc1)cc(s2)C(=O)N1CCNCC1	PC-id_89125839	421.558	QWKLJWXRDXTVJG-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-125507
CC1/C=NC(=N/Cc2c(/C=C
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O=C(c1sc2c(c1)C/N=C(/NCCc1ccccc1)N=C/C/C=C)N1CCNCC1	SCHEMBL13591756	421.558	DYDDQLZJJLYGBR-ZZMCIQHVSA-N	00000000100010110111000000000010000000000000000000000000	31-01-125509
S(c1n(CC(C)C)c(nn1)CCCNC(=O)Cn1nc2n(CCCCC2)c1=O)C	PC-id_55842252	421.56	YVGDQRKDZWMEGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125510
Fc1ccc(cc1)CC1CCCCc2c1[nH]nc2/C=C/SN[C@H](c1ccccc1)C	PC-id_145479791	421.573	NMJDXUJIUDOBGF-NLYRQODGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125511
C=C/C=C(C(=C/C)C1CCN(CC1)CCCn1cc(c2=CC=CCC=c12)C(=O)N)/OC	PC-id_143503175	421.575	APLHSCBGLKWSMM-HQRVADFKSA-N	00000000100010000110000000000010000000000000000000000000	31-01-125512
CN[C@@H]1Cc2cn(c(c2)/C=CC=C([C@H]1C[C@@H](CNC(=O)OCc1ccccc1)C)/C)C	PC-id_142309284	421.575	KJHALTSJUKVVAV-IIFHUCBISA-N	00000000100000110110000000000010000000000000000000000000	31-01-125513
O=C(NC1C2(C)CCC(C1(C)C)C2)Oc1nn(c2c1CCCCC2)Cc1ccccc1	PC-id_66647523,SCHEMBL300508	421.575	LEOHWJWIXJJUIK-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-125514
O1C(CN(CC2CCCC2)C)C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C	PC-id_75036194	421.577	FRGWQMAVHSUOQI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125515
O1C(CN(CC2CCCC2)C)C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C	PC-id_75036352	421.577	KPNJMWZAUKOQSY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125516
O1[C@H](CN(CC2CCCC2)C)[C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C	CHEBI:113474,PC-id_44505050	421.577	FRGWQMAVHSUOQI-DBXWQHBBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125517
O1[C@H](CN(CC2CCCC2)C)[C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C	PC-id_44505057,CHEBI:113284	421.577	FRGWQMAVHSUOQI-WAOWUJCRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125518
O1[C@@H](CN(CC2CCCC2)C)[C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C	PC-id_44505487	421.577	FRGWQMAVHSUOQI-WFXMLNOXSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125519
O1[C@@H](CN(CC2CCCC2)C)[C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C	PC-id_44506079	421.577	FRGWQMAVHSUOQI-UEXGIBASSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125520
O1[C@@H](CN(CC2CCCC2)C)[C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C	PC-id_44616449	421.577	FRGWQMAVHSUOQI-LQWHRVPQSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125521
O1[C@H](CN(CC2CCCC2)C)[C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C	PC-id_44619362	421.577	FRGWQMAVHSUOQI-BBTUJRGHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125522
O1[C@@H](CN(CC2CCCC2)C)[C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C	PC-id_44620769	421.577	FRGWQMAVHSUOQI-OPYAIIAOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125523
O1[C@@H](CN(CC2CCCC2)C)[C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C	CHEBI:112484,PC-id_54631263	421.577	KPNJMWZAUKOQSY-UEXGIBASSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125524
O1[C@H](CN(CC2CCCC2)C)[C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C	CHEBI:112565,PC-id_54631262	421.577	KPNJMWZAUKOQSY-WAOWUJCRSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125525
O1[C@H](CN(CC2CCCC2)C)[C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C	CHEBI:112569,PC-id_44619610	421.577	KPNJMWZAUKOQSY-LVCYWYKZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125526
O1[C@@H](CN(CC2CCCC2)C)[C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C	PC-id_44505492,CHEBI:113364	421.577	KPNJMWZAUKOQSY-WFXMLNOXSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125527
O1[C@H](CN(CC2CCCC2)C)[C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C	PC-id_54631261,CHEBI:112515	421.577	KPNJMWZAUKOQSY-DBXWQHBBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-125528
s1c2CCCCCc2cc1C(=O)Nc1c(N(C)C)ccc(S(=O)(=O)N(C)C)c1	PC-id_78796725	421.577	RLXPOCFNVXDVGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125529
s1c2c(CCCCC2)c(c1NC(=S)Nc1noc(C(C)(C)C)c1)C(=O)OCC	PC-id_19687508	421.577	BNFZFIJFUSLTGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125530
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1n(ccn1)C)C(=O)OCC	PC-id_24056703	421.577	VGPPLCVQWLXJFG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125531
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1n(ccn1)C)C)C(=O)OCC	PC-id_24053697	421.577	PPLKBZVUFPOTTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125532
s1c2c(CCCCCC2)c(c1NC(=S)Nc1noc(C(C)(C)C)c1)C(=O)OC	PC-id_19687501	421.577	CSWFEVWOWTTZBU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125533
s1c2CCCCCCc2nc1NC(=O)c1cc(S(=O)(=O)N(C)C)c(c(c1)C)C	PC-id_56021467	421.577	NOZWZYSEVSTMCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125534
s1c2CCCCCCc2nc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1	PC-id_60571694	421.577	FYPSZVNHEYTALU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125535
S1CC(N(CC1)CCC(=O)Nc1sc2c(CCCCC2)c1C#N)C(=O)OCC	PC-id_46481618	421.577	WWAMUJKCLMJPPK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125536
CCCc1nc(C)nc(c1N(c1nc2c(n1C)C(C=O)C=CC=C(C2)C)CCC)CC	PC-id_143837369	421.578	HHFRHVICPIOODQ-UHFFFAOYSA-N	00000000100000100111000000000010000000000000000000000000	31-01-125537
CCC/C=C(/N=C(/c1c[nH]c2=NC=CCC=c12)C=C/C)NC1CCCN(CC1)C(=O)C	PC-id_143225805	421.578	RLAXHMKICVOKLK-JVSUKRHMSA-N	00000000100000000110000000000010000000000000000000000000	31-01-125538
Cc1ccc(S(=O)(=O)N2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)cc1	CoCoCo_3446611,EMOLS-id_24157538,PC-id_25702726,ZINC22_13074314,MCULE-9308191720	421.58	FQWMGICQJYFXOP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125539
CCCCC(NC(=NC)NCc1nnc2n1CCCCC2)CNC(=O)OC(C)(C)C	PC-id_109734007	421.58	CYJXBMBIHBGSHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125540
CCNC(=NCC(CN1CCOCC1)(O)C)NCCCc1nnc2n1CCCCC2	PC-id_111657838	421.58	BDRRHJQESMHWQZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125541
CCNC(=NCCCNC(=O)OC(C)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111886707	421.58	ZWFGTRCHXLBMIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125542
CCNC(=NCC(NC(=O)OC(C)(C)C)(C)C)NCCc1nnc2n1CCCCC2	PC-id_109551690	421.58	LJKFTZWPJXDMPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125543
CN=C(NCC(NC(=O)OC(C)(C)C)(CC)CC)NCc1nnc2n1CCCCC2	PC-id_109556816	421.58	AINSRAZTQZVLTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125544
CN=C(NCC(NC(=O)OC(C)(C)C)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109552148	421.58	PPMABLFOCBATRM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125545
CCCCCN(C1CCN(CC1)c1cc(NC2=CCc3n(C=C2)ccn3)nc(n1)C)C	PC-id_142336932	421.582	NYCORCYBLFXSQD-UHFFFAOYSA-N	00000000100010100111100000000010000000000000000000000000	31-01-125546
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)C/C=C/c1ccccc1	PC-id_111218615	421.582	JIFVCGVUIUZZMB-FMIVXFBMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125547
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1c(C)[nH]c2c1cccc2	PC-id_112086137	421.582	JYDYMKMYJKKUGP-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-125548
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1ccc(c2)C	PC-id_111973858	421.582	FHMPLVNJKDAAJU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-125549
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1cccc2C	PC-id_112086175	421.582	SGEINJRXOGNCLX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-125550
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1c(C)ccc2	PC-id_112086141	421.582	SLSZTLCRESMGAJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-125551
CCNC(=NCCCn1ccc2c1cccc2)NCCCc1nnc2n1CCCCC2	PC-id_111341465	421.582	YWEMFDMCUWMNSA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-125552
CN=C(NCCc1c[nH]c2c1cccc2CC)NCCCc1nnc2n1CCCCC2	PC-id_112086143	421.582	SWHOQTUYCUYZOW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-125553
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCC(CC1)Cc1ccccc1)C#N	PC-id_22198130	421.598	YLERLPNAZVYQBM-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-125554
s1c2c(CCCCC2)c(c1NC(=S)Nc1sc2CCCCc2n1)C(=O)OC	PC-id_19676506	421.6	AHZJQQQEZYGXLF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-125555
CCCNc1nnc(s1)SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	MCULE-6246536423,PC-id_16333093,EMOLS-id_11771647	421.603	VDLGRBLKEFNWHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125556
CCCNc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1	CoCoCo_4182235,PC-id_8993598,ZINC22_7873534	421.603	VDLGRBLKEFNWHF-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-125557
CCCNc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1	PC-id_8993601,ZINC22_7873536,CoCoCo_4182236	421.603	VDLGRBLKEFNWHF-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125558
CCCN(Cc1cccc(c1)OC)CCC1N/C(=C/CC/C=C(/n2c1ccc2C)C)/C	PC-id_144114133	421.618	IRXDTPWNIJIOPW-OIEABDAFSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125559
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCCCCC)C(=O)OCC	PC-id_4093993	421.636	CZMFLTYNMSAPDK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125560
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCCCC)C(=O)OC(C)C	PC-id_3348872	421.636	DEOOWEVOSHICKE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125561
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCCCC)C(=O)OCCC	PC-id_4194719	421.636	QHGPLOCEFVFJQS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125562
s1c2c(CCCCCC2)c(c1NC(=O)CCCCCCCCCCC)C(=O)OC	PC-id_4521834	421.636	WQFAKIPDMWWALN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125563
s1c2c(CCCCCC2)c(c1NC(=O)CCCCCCCCCC)C(=O)OCC	PC-id_4245487	421.636	UUIXRWCVRMYQHS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125564
s1c2CCCCCCCCCCc2nc1NC(=O)CN(C1CCCCC1)CCO	PC-id_30376932	421.64	WNPHOBWJUTXZBG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125565
s1c2CCCCCCCCCCc2nc1NC(=O)CNC1CC(OCC1)C(C)C	PC-id_43904246	421.64	DMCURXAJZIXDGL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125566
Fc1cccc(Cl)c1C(=O)N1CCc2nnc(CNC(=O)C3CCOC3)n2CC1	PC-id_45190292,MCULE-7990547267,EMOLS-id_20485927,ChEMBL-DNDi_CHEMBL25166384	421.853	CUZSSFRRGXRBBV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-125567
Fc1c(Cl)cccc1C(=O)N1CCc2nnc(CNC(=O)C3CCOC3)n2CC1	PC-id_45180149,EMOLS-id_20441977,MCULE-7991503752	421.853	WVBJFYWCIVPNKK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-125568
O=C(NCc1nnc2n1CCN(C(=O)c1cccc(Cl)c1F)CC2)[C@@H]1CCOC1	ZINC22_11980378,CoCoCo_1189419	421.853	WVBJFYWCIVPNKK-GFCCVEGCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-125569
O=C(NCc1nnc2n1CCN(C(=O)c1cccc(Cl)c1F)CC2)[C@H]1CCOC1	ZINC22_11980385,CoCoCo_1189420	421.853	WVBJFYWCIVPNKK-LBPRGKRZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-125570
O=C(NCc1nnc2n1CCN(C(=O)c1c(F)cccc1Cl)CC2)[C@@H]1CCOC1	CoCoCo_1251136,ZINC22_11975730	421.853	CUZSSFRRGXRBBV-GFCCVEGCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-125571
O=C(NCc1nnc2n1CCN(C(=O)c1c(F)cccc1Cl)CC2)[C@H]1CCOC1	ZINC22_11975737,CoCoCo_1251137	421.853	CUZSSFRRGXRBBV-LBPRGKRZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-125572
Clc1c(F)cc(NC(=O)C(=O)NC2C(N=C(N)N)CCCCc3[nH]cnc23)cc1	PC-id_78129352	421.856	CHELPZWCMHSTQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125573
Clc1c(F)cc(NC(=O)C(=O)N[C@@H]2[C@@H](N=C(N)N)CCCCc3[nH]cnc23)cc1	PC-id_71603516	421.856	CHELPZWCMHSTQC-DZGCQCFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125574
Clc1cc(c2nc(sc2)NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1F	PC-id_60581577	421.876	NDHREFXZNAJHAV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125575
Clc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1C(=O)NCCOC	PC-id_55876495	421.878	FWGOLHZKMVVGHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125576
Clc1cc(NC(=O)CN(C(=O)Cn2nc3n(CCCCC3)c2=O)C)c(OC)cc1	PC-id_55582108	421.878	HDDIVYUBILIZPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125577
C1CN(CCc2c1nc(o2)C(=O)Nc1ccc(cc1)Cl)Cc1cc2c(cc1)cn[nH]2	PC-id_134805903	421.88	PNYVWRDUVJJYAM-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-125578
Clc1c(CN2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc(F)c1	PC-id_55655795	421.896	BEANDZNVTXCWNC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125579
COC(=O)CCC(=O)N1CCc2c(CC1)nc(s2)C(=O)Nc1cccc(c1)Cl	PC-id_97442429	421.898	ZRYPBVFLSAIMKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125580
COC(=O)CCC(=O)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1	PC-id_97524657,EMOLS-id_44379280,ZINC22_96264724	421.898	CNRRZTCDLLUGJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125581
c1(N(=O)=O)nn(c(C)c1Cl)CCCC(=O)Nc1sc2c(CCCCC2)c1C#N	GD-id_ZINC09673306,TIMTEC549489,PC-id_2980509,MCULE-7161954483,ZINC22_9673306,CoCoCo_569203,EMOLS-id_2517447	421.901	XKUFBUSRHJESEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125582
Brc1c2-c(c(Br)c1NC(=O)C)cccc(Br)c2	PC-id_85682861	421.91	IONJMPVZFRXGLQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-125583
c1(NC(=O)C=Cc2c(cccc2Cl)F)sc2c(CCCCCC2)c1C(=O)OC	PC-id_4608636,MCULE-3583102091	421.913	MIIKQDYFDXTNLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125584
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(F)ccc1	PC-id_4984349	421.913	IKDJLTCVEFAUCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125585
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(F)ccc1	PC-id_6241191	421.913	IKDJLTCVEFAUCH-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125586
COC(=O)c1c(NC(=O)/C=Cc2c(F)cccc2Cl)sc2c1CCCCCC2	CoCoCo_5815751	421.913	MIIKQDYFDXTNLQ-QXMHVHEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125587
COC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc2c1CCCCCC2	TIMTEC308952,SPECS-id_AK-968/11987288,PC-id_1741116,CoCoCo_5815750,EMOLS-id_26496863,ZINC22_2081837	421.913	MIIKQDYFDXTNLQ-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125588
C1CCc2c([nH]nc2C(=Cc2cc(ccc2)Cl)C1)C(=O)NC(CO)c1ccccc1	PC-id_90753375	421.919	JXRMKHDPVPYRCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125589
C1CCc2c([nH]nc2C(=Cc2ccc(cc2)Cl)C1)C(=O)NC(CO)c1ccccc1	PC-id_90773797	421.919	LLBFTFFJABJIEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125590
Clc1cc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@H](c2ccccc2)CO)ccc1	SCHEMBL176745,PC-id_25069881	421.919	JXRMKHDPVPYRCJ-DOIQENQNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125591
Clc1ccc(/C=C/2CCCCc3c2[nH]nc3OC(=O)N[C@H](c2ccccc2)C)cc1	PC-id_66647536,SCHEMBL300525	421.919	KEYUXJHRXCNPPL-DAMBIUFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125592
Clc1ccc(/C=C/2CCCCc3c2[nH]nc3OC(=O)N[C@@H](c2ccccc2)C)cc1	SCHEMBL300660,PC-id_66647625	421.919	KEYUXJHRXCNPPL-ORMOWBNMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125593
Clc1ccc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@H](c2ccccc2)CO)cc1	PC-id_58882633,SCHEMBL176588	421.919	LLBFTFFJABJIEV-TVADFSRQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125594
c1(NC(=O)c2cc(Cl)ccc2OC)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-7262476729,PC-id_4216197,TIMTEC333485,ZINC22_4612008,EMOLS-id_4104540,SPECS-id_AK-968/12116414,CoCoCo_5817188	421.938	NJPAGOXCNAEFKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125595
c1(NC(=O)C(C)Oc2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC429071,SPECS-id_AK-968/12346310,MCULE-6198888512,PC-id_3483211,EMOLS-id_4104536	421.938	RMMNLSLYWHRQIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125596
c1(NC(=O)COc2ccc(cc2C)Cl)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_5393750,CoCoCo_1755076,ZINC22_4558264,CHEMBL1436994,PC-id_5000869,MCULE-3945156355	421.938	MNNXFISNLZIURP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125597
c1(NC(=O)COc2ccccc2Cl)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4104544,PC-id_1746531,SPECS-id_AK-968/15361237,TIMTEC273909,MCULE-5836611141,ZINC22_2088718,CoCoCo_5826944	421.938	KVBOIJPHPYPGEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125598
CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2	CoCoCo_6785612,ZINC22_2084795,PC-id_1743456	421.938	RMMNLSLYWHRQIJ-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125599
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2	CoCoCo_6785613,ZINC22_2084796,PC-id_1743455	421.938	RMMNLSLYWHRQIJ-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125600
Clc1cc(CNc2sc3c(CCCCC3)c2C(=O)OCC)c(OC(=O)C)cc1	PC-id_24159041	421.938	VLSFZPCEGACORL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125601
Clc1cc(c(OC(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)C)cc1)C	PC-id_3683057	421.938	CFBSUKBZFUMPFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125602
Clc1ccc(OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cc1	PC-id_4159248	421.938	VITGKWLLSRGNAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125603
Clc1ccc(OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cc1	PC-id_4523345	421.938	NKJHKCSGIJGIHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125604
Clc1cc(c(OCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1)C	PC-id_3542154	421.938	SHKGRUNSNSUARK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125605
Clc1ccc(OCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_5066877	421.938	NQCUELBAFXNCQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125606
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)c(OC)cc1	PC-id_3566052	421.938	MWMKBZXBEYFKFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125607
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)c(OC)cc1	PC-id_4618392	421.938	QEQLPUDZDUOLAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125608
Clc1cc(OC(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)C)ccc1	PC-id_4419215	421.938	MSFZTXFONQPFJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125609
c1(NC(=O)CCC(=O)Nc2cc(C)c(cc2OC)Cl)sc2c(CCCCC2)n1	EMOLS-id_335021975,MCULE-9267613092	421.941	DHFSHPWMTZLDBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125610
c1(NC(=O)CCC(=O)NCC(O)c2ccc(cc2)Cl)sc2c(CCCCC2)n1	MCULE-7881774483,EMOLS-id_335035799	421.941	PGOYORZHLBZUFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125611
Clc1c(N2CCSCC2)ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c1	PC-id_56264493	421.944	KNKMTJAGZGOAMH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-125612
c1(NC(=S)NC(=O)c2ccccc2Cl)sc2c(CCCCCC2)c1C(=O)N	SPECS-id_AG-205/40776180,TIMTEC159208,MCULE-8839250535,EMOLS-id_6775475,ZINC22_717291,PC-id_1043821,CoCoCo_1958814	421.964	FXGGZICVWJGMNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125613
Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1Cl	PC-id_20166157,ZINC22_32125325	421.964	ORJGFILSMZFFKS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125614
Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)c(Cl)c1	ZINC22_32125426,PC-id_20166156	421.964	YTVCUNWHAGZOFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125615
NC(=O)c1c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)sc2c1CCCCC2	PC-id_20166101,ZINC22_32125149	421.964	HCQLTKHFUFQDHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125616
Clc1ccc(OCCN2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)cc1	PC-id_31010970	421.987	OKJYFMDHPLQPDH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125617
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)C=C(F)F)C#N	PC-id_162008302	422.086	NIHDHOLDEHUYLZ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125618
CN1C=C2C(=C1C(NC3=CC(=C(C=C3)F)C#N)O)OC[C@@](NS2(=O)=O)(CO)C=C	PC-id_155062093	422.106	KXGRGEVEOYQILS-ZVAWYAOSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125619
C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=C(NC4=CC=C(C(=O)C=C43)O)C(=O)OCCO	PC-id_162122731	422.111	ZHPXFFUPAXUOLP-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-125620
COC1=CC(=C(C=C1)OC)S(=O)(=O)N[C@H]2CCC3=NN(C(=O)N3CC2)CC4CC4	PC-id_164640583	422.162	FYZUIBIHNJNHBE-AWEZNQCLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-125621
C1CCc2c(CC1)[se]c(c2C#N)N=Cc1c(ccc(c1)Br)O	PC-id_136880223	422.178	WCHKSUBKESPZEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125622
Brc1cc(sc1Br)C(O)c1sc2c(CCCCC2)c1	PC-id_80535564	422.198	GIOCSFMBMJUSAL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-125623
Brc1sc(Br)cc1C(O)c1sc2c(CCCCC2)c1	PC-id_55198285	422.198	OMABNUOCRUMSNK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-125624
CCC1=CC=C(C=C1)CNC(=O)[C@@H]2CCCCC3=NN(C(=O)N23)CC4=CC(=CC=C4)F	PC-id_164642995	422.212	AWDMKZFOSWOTMD-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125625
CNCCC(C1=CC=CC=C1)OC2=CC(=C(C=C2)CN3CCCN4C(=CC=N4)C3=O)F	PC-id_155072019	422.212	WLFVMCPQDAAMBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125626
O=C/C/1=C(/C)CCc2c(C/C=C(/S1)Oc1ccc(cc1)Br)snc2	SCHEMBL18533494	422.359	OAIHSLBDVSFOAP-QUOXUHNXSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125646
Brc1ccc(NC(=O)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55878377	422.276	PYOQTFOOHOFPHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125627
Brc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(NC(=O)C)cc1	PC-id_56367223	422.276	ZKEGEJRIDMJQPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125628
c1(NC(=O)c2ccccc2I)sc2c(CCCCC2)c1C#N	SPECS-id_AK-968/40732731,MCULE-9523583195,ZINC22_689183,TIMTEC176460,CoCoCo_3268391,PC-id_1023121,EMOLS-id_3074295	422.283	GQPCNSNEMBEAFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125629
N#Cc1c(NC(=O)COC(=O)c2cc(Br)c[nH]2)sc2c1CCCCC2	EMOLS-id_27365526,ZINC22_28176855,PC-id_35487084,CoCoCo_4078430,MCULE-9909298434	422.296	GBHVLFSTLSLNRB-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-125630
COCc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1	BindingDB_PC-id_71748060,BindingDB-id_300534,PC-id_71748060,SCHEMBL15282701	422.3	BRYPHYOGDVFMNH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-125631
CC(C)OC(=O)C1=CN(CC(C)(C)c2cn[nH]c12)C(=O)c1ccc(Cl)c(Cl)c1	SCHEMBL17777929,BindingDB-id_731723,PC-id_121358860	422.305	LQWKYUOILKZVFJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125632
Brc1cc(CNC(=O)NCCc2n3CCCCCc3nn2)c(OC)cc1	PC-id_56225005	422.319	WDYYZXLTLGMIEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125633
C1CN(Cc2cc(nn2C1)N)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16099705,PC-id_90460487	422.325	IZIKMQIDKQILMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125634
FC(F)(F)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc(c1)C(F)(F)F	PC-id_55477819	422.325	CTGIABAVXZJRPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125635
Brc1ccc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_3439582	422.336	OKYYOXJHSLKESW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125636
Brc1c(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cccc1	PC-id_4072471	422.336	RJDZEIJMIJYHTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125637
c1(NC(=O)c2cccc(Br)c2)sc2c(CCCCC2)c1C(=O)OCC	STOCK3S-20899,PC-id_1724368,SPECS-id_AE-848/13008263,EMOLS-id_3738296,ChEMBL-DNDi_CHEMBL3772-2887,MCULE-2956667385,TIMTEC437259,CoCoCo_1754987,ZINC22_2060353	422.336	RVQJGYOJYRUELJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125638
c1(NC(=O)c2cccc(Br)c2)sc2c(CCCCCC2)c1C(=O)OC	CoCoCo_5817508,SPECS-id_AK-968/12117472,ZINC22_2741506,TIMTEC259427,MCULE-3402192730,EMOLS-id_4104809,PC-id_3416483	422.336	KFBSLFSNSQHCAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125639
c1(NC(=O)c2ccccc2Br)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_4104803,TIMTEC76158,MCULE-5964516107,STOCK1S-57973,ZINC22_2272573,ChEMBL-DNDi_CHEMBL3379-1023,PC-id_1898202,CoCoCo_1740519	422.336	BIQDHEQJBMNNCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125640
c1(NC(=O)c2ccc(cc2)Br)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_5374905,PC-id_3439535,ZINC22_9404763,MCULE-1065012908,CoCoCo_5015577	422.336	QLOJIPXNYZZFPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125641
Brc1ccccc1NC(=O)CCC(=O)Nc1nc2CCCCCc2s1	MCULE-9478787337,EMOLS-id_335061146	422.339	GLNSGWUHNBNRSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125642
Brc1cccc(NC(=O)CCC(=O)Nc2nc3CCCCCc3s2)c1	EMOLS-id_335047319,MCULE-8906941297	422.339	IVLKLMLJSBEURB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125643
Brc1ccc(NC(=O)CCC(=O)Nc2nc3CCCCCc3s2)cc1	MCULE-7599205772,EMOLS-id_335054996	422.339	LFVGTXZRGZSNKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125644
Brc1cc(C(=O)NCC(=O)Nc2sc3CCCCCCc3n2)ccc1	PC-id_56022743	422.339	QSPJDJHUVNAWTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125645
CCNC(=NCc1nnc2n1CCCCC2)N(Cc1cc(cn1C)Br)C	PC-id_109749567	422.366	TXUTZWCLRRVLJS-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-125647
O=C(c1cnn(c1C(F)(F)F)c1ccccc1F)NCc1nnc2n1CCCCC2	PC-id_112813949	422.379	UKJIOVRUAIAYQU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125648
S(c1n2CCCCCc2nn1)c1c([N+](=O)[O-])cc(S(=O)(=O)C(F)(F)F)cc1	PC-id_60356596	422.403	BVRNYSGSOOGKGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125649
Fc1ccc(F)c(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)c1F	PC-id_45232203,EMOLS-id_20665673,MCULE-5865111105	422.404	IHSDKFPYNCRCCC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-125650
O=C1CC[C@@H](C(=O)NCc2nnc3n2CCN(Cc2c(F)ccc(F)c2F)CC3)N1	CoCoCo_1517796,ZINC22_20109987,CoCoCo_1517797	422.404	IHSDKFPYNCRCCC-AWEZNQCLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-125651
O=C1CC[C@H](C(=O)NCc2nnc3n2CCN(Cc2c(F)ccc(F)c2F)CC3)N1	CoCoCo_1517798,CoCoCo_1517799,ZINC22_20109988	422.404	IHSDKFPYNCRCCC-CQSZACIVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-125652
N#Cc1c(F)ccc(c1F)NC(=O)c1n(C)cc2c1C=C[C@@H](NS2(=O)=O)[C@@H](O)C	SCHEMBL18352867	422.406	VZWBLCFAEFGIAV-TVQRCGJNSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125653
N#Cc1c(F)ccc(c1F)NC(=O)c1n(C)cc2c1C=C[C@@H](NS2(=O)=O)C(O)C	PC-id_139471335,SCHEMBL21337333	422.406	VZWBLCFAEFGIAV-WCRCJTMVSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125654
N#Cc1c(F)ccc(c1F)NC(=O)c1n(C)cc2c1C=CC(NS2(=O)=O)[C@@H](O)C	PC-id_140762658	422.406	VZWBLCFAEFGIAV-LLTODGECSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125655
COC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCCCC2	MCULE-6768565103,CoCoCo_3026123,PC-id_2680587,ZINC22_3563319,EMOLS-id_15242167	422.409	ZVHKPBOGOTZELD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-125656
C1Cn2cc(nc2OCCN1Cc1cccc(c1)c1ccc(cc1)NC(=O)[O-])[N+](=O)[O-]	SCHEMBL14966085,PC-id_89580390	422.414	XRVNSOBONSRKHB-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-125657
Cn1c2c([nH]c1=O)N=C(CN=C2N)/C(=C/C(=NCc1ccccc1F)c1ncco1)/N	PC-id_137205171	422.416	DABBKOHHFXJMNG-CKPPXQSCSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125658
N=C(C1=Nc2[nH]c(=O)n(c2C(=NC1)N)C)/C=C(/c1ncco1)NCc1ccccc1F	SCHEMBL18899290	422.416	ZRUMXBUYTVOOCH-IVFDAANRSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125659
COC(=O)c1c(N[C@@](NC(=O)C)(C(=O)OC)C(F)(F)F)sc2c1CCCCC2	PC-id_40995229,ZINC22_9272683	422.419	MXBXYOPOMNKEEH-INIZCTEOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125660
COC(=O)c1c(N[C@](NC(=O)C)(C(=O)OC)C(F)(F)F)sc2c1CCCCC2	ZINC22_9272682,PC-id_40995228	422.419	MXBXYOPOMNKEEH-MRXNPFEDSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125661
COC(=O)c1c(NC(NC(=O)C)(C(=O)OC)C(F)(F)F)sc2CCCCCc12	STOCK3S-08555,MCULE-6428359225,EMOLS-id_4479724,PC-id_3720576	422.419	MXBXYOPOMNKEEH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125662
N#Cc1c(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCCC2	ZINC22_9403233,MCULE-8196167747,CoCoCo_3042176,EMOLS-id_3081531,PC-id_5253415	422.421	XRZUTKHNGULDCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125663
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(cc1)C(F)(F)F)C#N	PC-id_4285969	422.421	TXUOMHRFAHIMJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125664
C1CN(CCc2c1nc(o2)C(=O)Nc1cccc(c1)C(F)(F)F)Cc1nccs1	PC-id_134808612	422.424	MLWPZUSVLQSXQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125665
CN=C(NCc1nnc2n1CCCCC2)NCc1cc2OCOc2cc1OC(F)F	PC-id_109668631	422.429	FZYJRLBGVXXBQO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-125666
CCC(C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C#N)F)C)O	PC-id_140762652	422.431	ODNFHUCSESCGPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125667
CCC([C@@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C#N)F)C)O	SCHEMBL18352852	422.431	ODNFHUCSESCGPX-LSLKUGRBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125668
CCC([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C#N)F)C)O	SCHEMBL18353470	422.431	ODNFHUCSESCGPX-KWCCSABGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125669
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OC[C@H](NS2(=O)=O)C(O)(C)C	SCHEMBL18352791	422.431	DDWLDAMLHKBIKH-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125670
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OC[C@@H](NS2(=O)=O)C(O)(C)C	SCHEMBL18353463	422.431	DDWLDAMLHKBIKH-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125671
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OCC(NS2(=O)=O)C(O)(C)C	PC-id_139471228,SCHEMBL21337227	422.431	DDWLDAMLHKBIKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125672
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2ncc(OC)cn2)CCC3)cc1	ZINC22_1565556383,EMOLS-id_313765064	422.437	FZXBSUGZNDLJLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125673
O1CCN(CCn2c1nc([N+](=O)[O-])c2)Cc1ccc(cc1)C(=O)NCc1ccncc1	SCHEMBL14966186,PC-id_71570739	422.437	WYCXDIRJEGUXAX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125674
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(Oc2cc(ccc2)C(=O)N)nc1	PC-id_56395641	422.437	VWHGUIPWKSJBGX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125675
FC(F)(F)c1cc(C(N(C2CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)C)ccc1	PC-id_55595164	422.444	NRCNWLHZPAYODE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-125676
FC(F)(F)c1c(N2CC(CCC2)C(=O)NCc2n3CCCCCc3nn2)nccc1	PC-id_47035756	422.447	TWASLVOISDSQIJ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-125677
O=C(NCc1nnc2n1CCCCC2)C1CCN(c2ccc(C(F)(F)F)cn2)CC1	ZINC22_19661455,PC-id_28254469,CoCoCo_4480633,EMOLS-id_24004772,MCULE-2810560416,CoCoCo_4480632	422.447	DJSDXEHAHTVBAS-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-125678
O=C(NCc1nnc2n1CCCCC2)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1	PC-id_52295279,ZINC22_48324847	422.447	TWASLVOISDSQIJ-AWEZNQCLSA-N	00000000100010101101100000000010000000000000000000000000	31-01-125679
O=C(NCc1nnc2n1CCCCC2)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1	PC-id_52295280,ZINC22_48324848	422.447	TWASLVOISDSQIJ-CQSZACIVSA-N	00000000100010101101100000000010000000000000000000000000	31-01-125680
c12C(=O)N(CCCn1nc(C(=O)Nc1ccccc1OCC)c2)Cc1ccc(cc1)F	EMOLS-id_32632846,MCULE-8566715129,PC-id_53034500	422.452	NNQDEYDETKCGCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125681
c12C(=O)N(CCCn1nc(C(=O)Nc1cc(C)ccc1OC)c2)Cc1ccc(cc1)F	PC-id_53034505,MCULE-4015846716,EMOLS-id_32632858	422.452	GSMLVQPKNNJDAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125682
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OC)c2)Cc1ccc(cc1)F	CoCoCo_2544577,EMOLS-id_16324704,PC-id_20964746,MCULE-3397261151	422.452	QQQKQFYDLYWVDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125683
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1OC)c2)Cc1ccc(cc1)F	EMOLS-id_16324720,MCULE-4499384640,PC-id_20964754,CoCoCo_2544585	422.452	BKYVZGGAYTZYOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125684
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1OC)c2)Cc1cccc(F)c1	EMOLS-id_32632976,PC-id_53034534,MCULE-7245167557	422.452	JCOXHHJIAJMVMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125685
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OC)c2)Cc1cccc(F)c1	MCULE-1688651054,PC-id_53034522,EMOLS-id_32632940	422.452	ORNYNGAKXRFFMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125686
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(OC)c1)c2)Cc1ccc(cc1)F	EMOLS-id_16324722,CoCoCo_2544586,PC-id_20964755,MCULE-6497059806	422.452	KSNSOUDKKYHAMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125687
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(OC)c1)c2)Cc1cccc(F)c1	PC-id_53034535,MCULE-4997229111,EMOLS-id_32632978	422.452	SYJCKQOFBIZTKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125688
CCOc1ccc(cc1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccc(cc1)F	PC-id_20964747,CoCoCo_2544578	422.452	BSPXNWQOWJQAQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125689
CN(c1ccc(cc1)/C(=C
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COCc1ccc(cc1)C(=O)N1CCCn2ncc(C(=O)Nc3cccc(F)c3)c2C1	EMOLS-id_313761994,ZINC22_1565556675	422.452	PLDFEZNPRJDDMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125691
Fc1ccc(c2cc(CCn3c4NC=NCC(O)c4nc3)cc(c2)C(=O)OCC)cc1	PC-id_10645899	422.452	JGFKLRXTVLVLOK-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-125692
COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCc2nnc3n2CCCCC3)c1	PC-id_25664863,CoCoCo_3853173,MCULE-6739003724,EMOLS-id_24149801,ZINC22_13006025	422.455	PLASDKIHGYFIDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125693
P(=O)(OCC)(OCC)N(OC)C(=O)Cc1ccc2-c(c(c(c2CC)N)CC)cc1	PC-id_53757363	422.455	DFJXNJYBPJGTOW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-125694
N#Cc1c(NC(=O)COC(=O)c2ccc(n3cnnn3)cc2)sc2c1CCCCC2	MCULE-9873459293,ZINC22_3434151,EMOLS-id_3312923,PC-id_2553841,CoCoCo_3132770	422.46	HEDBHYXGYQSGGZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125695
s1c2CCCCCc2c(c1NC(=O)Cn1nc(nc1)c1ccc([N+](=O)[O-])cc1)C#N	PC-id_60617432	422.46	VCRDRPDEVSLWDF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125696
s1c2CCCCCc2c(c1NC(=O)Cn1nc(nc1)c1cc([N+](=O)[O-])ccc1)C#N	PC-id_60222125	422.46	JQGBTVPADPKSFQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125697
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(n2ncnc2)nccc1)C#N	PC-id_45776912	422.46	XBPJRIWUNZKRAP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-125698
CN(CCCOc1ccccc2-c1c(C)cc2/C=C/1C(=O)Nc2c1c(F)c(cc2)F)C	PC-id_52942740,BindingDB_PC-id_52942740,CHEMBL1258711	422.467	NDOIBVRCWMXUFW-JXAWBTAJSA-N	00000010100000100110000000001010000000000000000000000000	31-01-125699
Fc1c2C(=Cc3c4-c(c(c3)C)c(OCCCN(C)C)cccc4)C(=O)Nc2ccc1F	PC-id_75968390	422.467	NDOIBVRCWMXUFW-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-125700
s1c2c(CCCC2)c(c1NC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)C#N	PC-id_19527328	422.467	NQTSGEWHTDSUFK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-125701
COC(=O)[C@H]1CC[C@H](Cc2oc(C[C@@](CC(=O)[C@@H]1O)(C)O)cc2C(=O)OC)C(=C)C	UNPD34650	422.469	YRXOAIMFDGABGW-FYVJEAPESA-N	00000000100000000100000000000010000000000000000000000000	31-01-125702
O=C(OC)c1cc2oc1CC(C(=C)C)CCC(C(=O)OC)C(O)C(=O)CC(O)(C)C2	CNP0218204	422.469	YRXOAIMFDGABGW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-125703
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)C)ccc1	PC-id_72423619	422.47	MGZBZOHCCNFPJW-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-125704
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)C)ccc1	PC-id_58786126,BindingDB_PC-id_58786126,SCHEMBL5272759	422.47	MGZBZOHCCNFPJW-HFBCXCLPSA-N	00000010100010110110100000000010000000000000000000000000	31-01-125705
O1[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)C)ccc1	PC-id_69381334,SCHEMBL5272763	422.47	MGZBZOHCCNFPJW-PLFWLVBQSA-N	00000010100010110110100000000010000000000000000000000000	31-01-125706
OCC1CC(O)C[C@@H](O1)c1cc(ccc1OCC(=O)O)Cc1cc2-c(c1)ccccc2	PC-id_142858216	422.47	ZEDUMNIPRWUGFP-SLXFGWRHSA-N	00000010100010110110100000000010000000000000000000000000	31-01-125707
CCNC(=NCc1cc(OC)ccc1OC(F)F)NCc1nnc2n1CCCCC2	PC-id_109671607	422.472	BPXRWIXHQNONLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125708
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccc(cc1)OC(F)F)O	PC-id_109495079	422.472	QLCNRFDAORBLGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125709
CCOc1cccc(c1OC(F)F)CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_109661205	422.472	QDZDBPVBLQXZCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125710
COc1ccc(c(c1)CNC(=NC)NCCc1nnc2n1CCCCC2)OC(F)F	PC-id_109671625	422.472	XUIVYLBELZTADR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125711
Fc1ccc(c(c1)C)C(=O)Nc1ccc(cc1)C(=O)N1CCCC(=O)c2c1ccs2	PC-id_57114538,SCHEMBL6994183	422.472	ITHLLTQIBSSBJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125712
Fc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCC(=O)c2c1ccs2)C	SCHEMBL6989178,PC-id_21467131	422.472	KKYYIMWDMXPCQL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125713
O=C(N1CCCC(=O)c2c1ccs2)c1ccc(cc1)NC(=O)c1cccc(c1C)F	SCHEMBL6988080,PC-id_21467149	422.472	HUBRQSUYUHFSKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125714
CCOC(=O)c1cc2nc(C(C)C)n(Cc3ccccc3)c2cc(C(=O)OCC)c1=O	CoCoCo_5528083,ZINC22_13281809,PC-id_426641,LI_56687	422.474	YQKPAYLRNQAIJF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125715
CCOC(=O)CCc1c([nH]c2c1C(=O)CCCC2)/C=C/1C(=O)Nc2c1cc(OC)cc2	PC-id_46847747,SCHEMBL12792928	422.474	AEPWDJOQFAHICD-LGMDPLHJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-125716
O=C1c2c([nH]c(c2CCC(=O)OCC)C=C2c3c(NC2=O)ccc(OC)c3)CCCC1	PC-id_75220234	422.474	AEPWDJOQFAHICD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-125717
CN1C2=CCC=CC=C2C(=C(C2C=CC(=O)C=C2)c2c3-c(ccccc3)n(c2=O)C)C1=O	PC-id_136702441	422.475	MJHKPZFCUAIKCI-UHFFFAOYSA-N	00000010100011000110000000000110000000000000000000000000	31-01-125718
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2cc3c(OCC3)cc2)ccc1	PC-id_42399011	422.475	WMJVXZIYJSIORF-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-125719
COc1c(cc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)NCc1ccncc1)OC	PC-id_134807976	422.477	JIVPFIMCWZBIQB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125720
COc1ncc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)NCCOc1ccccc1	PC-id_134806527	422.477	BPGHJZNDPJOQRW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125721
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3)NC(=O)C)CCn12	PC-id_45221083,MCULE-2327073185,EMOLS-id_20619081	422.48	LDFSSUVGKDCHEX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125722
Cc1ccc2[nH]c(cc2c1)C(=O)N1CCc2nnc(CNC(=O)C3CCOC3)n2CC1	PC-id_45190199,EMOLS-id_20485505,MCULE-3519177584	422.48	PSSCSKGVQOMOSJ-UHFFFAOYSA-N	00000010100000100101000001100010000000000000000000000000	31-01-125723
Cc1ccc2[nH]c(C(=O)N3CCc4nnc(CNC(=O)[C@@H]5CCOC5)n4CC3)cc2c1	ZINC22_11974832,CoCoCo_1250471	422.48	PSSCSKGVQOMOSJ-OAHLLOKOSA-N	00000010100000100101000001100010000000000000000000000000	31-01-125724
Cc1ccc2[nH]c(C(=O)N3CCc4nnc(CNC(=O)[C@H]5CCOC5)n4CC3)cc2c1	ZINC22_11974839,CoCoCo_1250472	422.48	PSSCSKGVQOMOSJ-HNNXBMFYSA-N	00000010100000100101000001100010000000000000000000000000	31-01-125725
CC(Cc1onc(c1)C(=O)N1CCc2n(CC1)c(nn2)CNC(=O)c1ccccc1)C	MCULE-3080144924,EMOLS-id_20423415,PC-id_42449591,CoCoCo_1163335	422.48	DJCSQVHDWYPMLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125726
C[C@@H]1[C@H](NC(=O)c2nnc(o2)Cc2ccccc2)C(=O)N(c2c([C@@H]1C)n(C)c(n2)C)C	SCHEMBL19228643	422.48	PMWLWXITXIKBLC-AHIWAGSCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125727
C[C@@H]1[C@H](NC(=O)c2nnc(o2)Cc2ccccc2)C(=O)N(c2c([C@@H]1C)nc(n2C)C)C	SCHEMBL19228528	422.48	YRKZMWMDFJIJFL-VBHSOAQHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125728
CCOc1cccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c1O	PC-id_29218914,ZINC22_20918424,CoCoCo_1332751,EMOLS-id_20542513,CoCoCo_1332750,MCULE-4816294334	422.48	JRUHTQJFCPZTFY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125729
CC(=O)Nc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1	MCULE-6680566219,ZINC22_14878802,EMOLS-id_232712486,PC-id_26274549	422.48	YNILAFBWKSHRCP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125730
CC(=O)Nc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1	CoCoCo_1446735,ZINC22_14961709,CoCoCo_1446736,PC-id_26322858	422.48	LDFSSUVGKDCHEX-OAHLLOKOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125731
CC(=O)Nc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1	CoCoCo_1446738,CoCoCo_1446737,PC-id_26322861,ZINC22_14961713	422.48	LDFSSUVGKDCHEX-HNNXBMFYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125732
COc1cccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c1OC	MCULE-2165332543,ZINC22_20999419,PC-id_29258722,ChEMBL-DNDi_CHEMBL40679710,CoCoCo_1358385,EMOLS-id_20559953,CoCoCo_1358386	422.48	QPQZLFCNOPRTBQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125733
COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c(OC)c1	EMOLS-id_20563641,ZINC22_23337529,CoCoCo_1363756,PC-id_31015730,MCULE-6434982312,CoCoCo_1363757	422.48	NVPMQVZINXDHOE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125734
COc1ccc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1OC	CoCoCo_1164918,MCULE-8107849071,ZINC22_19745154,CoCoCo_1164919,EMOLS-id_20424505,ChEMBL-DNDi_CHEMBL15046385,PC-id_28312965	422.48	OCXGRUTVVZMFGP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125735
COc1cccc(OC)c1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1	MCULE-2329209173,PC-id_26326524,ZINC22_14967610,EMOLS-id_20626911,CoCoCo_1458535,CoCoCo_1458536	422.48	MZHURADHMSCUFQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125736
COc1cccc(OC)c1CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	MCULE-4768933586,EMOLS-id_232710376,ZINC22_19837521,PC-id_28391056	422.48	DSHKXZHXQMSGBE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125737
COc1cc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)ccc1O	PC-id_28391999,ZINC22_19838319,EMOLS-id_20435899,CoCoCo_1180788,CoCoCo_1180787,MCULE-1196334581	422.48	DHDWFYDYYJIYMW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125738
n12CCN(CCc1nnc2CNC(=O)c1ccccn1)Cc1ccc(cc1)OCCO	ZINC22_14884640,CoCoCo_1209458,PC-id_26279932,EMOLS-id_20456667,CoCoCo_1209457,MCULE-4280254627	422.48	RGDYPRPIOOBGMG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125739
n12CCN(CCc1nnc2CNC(=O)c1ccccn1)Cc1cccc(OCCO)c1	CoCoCo_1474789,CoCoCo_1474788,MCULE-7534158665,EMOLS-id_20637511,PC-id_26333374,ZINC22_14977415	422.48	KTFUDXSCDQJYCD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125740
n12CCN(CCc1nnc2CNC(=O)c1ccncc1)Cc1ccc(cc1)OCCO	EMOLS-id_20502311,PC-id_29088385,ZINC22_20601138,CoCoCo_1274831,CoCoCo_1274832,MCULE-8024850181	422.48	TYPCKOMHDOPNOG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125741
O(c1cc(CN2CCn3c(nnc3CNC(=O)c3ncccc3)CC2)ccc1O)CC	PC-id_56851890	422.48	IUWYPSHWXDRVRV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125742
O=C(CNC(=O)c1noc(c1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_86884584	422.48	NWDJWEGHDIWGBK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125743
O=C(NCc1n2CCCCCc2nn1)c1ccc(n2ncc(c2C)C(=O)OCC)cc1	PC-id_60443254	422.48	ZZNGGSPKLXQOKV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125744
O=C(NCCc1n2CCCCCc2nn1)NCc1cc(NC(=O)c2occc2)ccc1	PC-id_55629652	422.48	PYKYVPRCKSKFMJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-125745
CCNC(=NCc1cccc(c1)C(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111267601	422.49	WAIOIKRZRMUGHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125746
CCNC(=NCc1ccc(cc1)C(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111420467	422.49	HGLXUORSLAEFIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125747
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc(cc1)C(F)(F)F	PC-id_111295909	422.49	WOAYALZPMMKZCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125748
CN=C(N(Cc1ccc(cc1)C(F)(F)F)C)NCCCc1nnc2n1CCCCC2	PC-id_111300213	422.49	WQAOZBUNUPPDCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125749
CN=C(NC(c1cccc(c1)C(F)(F)F)C)NCCCc1nnc2n1CCCCC2	PC-id_111324164	422.49	LIVJKZKKPDBWLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125750
CN=C(NCc1nnc2n1CCCCC2)NCCC(c1cccc(c1)C(F)(F)F)C	PC-id_111711549	422.49	RGODMKVJALVMAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125751
CN=C(NCCc1ccc(cc1)C(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111295965	422.49	VYVUWMGVYBBMRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125752
COCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](CC2)Cc1cc(F)cc(c1)F)CC(C)C	GD-id_ZINC12040710	422.492	UFHVSPALSQFOQX-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125753
CCc1ccc(cc1)C(c1cccc(c1)F)NC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_18821509,MCULE-6910591417,PC-id_42945216	422.495	MPLOUAPHQPAYDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125754
CCc1ccc([C@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)c2cccc(F)c2)cc1	CoCoCo_4692560,ZINC22_12739345,PC-id_25473068	422.495	MPLOUAPHQPAYDN-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125755
CCc1ccc([C@@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)c2cccc(F)c2)cc1	ZINC22_12739343,PC-id_25473066,CoCoCo_4692561,GD-id_ZINC12739343	422.495	MPLOUAPHQPAYDN-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125756
CCc1ccc(CNC(=O)C2CCCCc3nn(Cc4cccc(F)c4)c(=O)n23)cc1	MCULE-6574061638,EMOLS-id_207869746	422.495	AWDMKZFOSWOTMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125757
CCN(Cc1ccccc1)C(=O)C1CCCCc2nn(Cc3cccc(F)c3)c(=O)n12	EMOLS-id_207869499,MCULE-1058759342	422.495	CVASLMMQAFDULY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125758
CNCC[C@@H](c1ccccc1)Oc1ccc(c(c1)F)CN1CCCn2c(C1=O)ccn2	PC-id_142566990	422.495	WLFVMCPQDAAMBL-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125759
Fc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_25115835,SCHEMBL3133199	422.495	AHJVOEWREPRNRQ-JXAWBTAJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-125760
Fc1cc2C(=Cc3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68523705	422.495	AHJVOEWREPRNRQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-125761
Fc1cccc(Cn2nc3CCCCC(C(=O)NCCCc4ccccc4)n3c2=O)c1	EMOLS-id_207869490,MCULE-5469773760	422.495	VWOOICLYSGLKCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125762
COC(=O)c1c(sc2c1CCCCC2)NC(=O)c1cc(ccc1)Oc1ccccn1	PC-id_90596764	422.497	MOIZJUSIAYQHON-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-125763
CCN(C(=O)c1cccn(c1=N)C(=N)C1CC1)CCc1nc2c([nH]1)CC=CC(C=C2)F	PC-id_144069601	422.498	KJRVEIPCNVOCNQ-UHFFFAOYSA-N	00100000100000101111000000000010000000000000000000000000	31-01-125764
C=C[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C	PC-id_67993033,SCHEMBL9980533	422.499	KKWVMQDNELNXJS-ABAIWWIYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125765
COc1ccc(OC)c(c1)S(=O)(=O)NC1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-5134999896,EMOLS-id_96962380	422.499	FYZUIBIHNJNHBE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-125766
s1c2nc(C(=O)NC(C(=O)NC(C(C)C)C(=O)OC(CC(=O)NC2)C=C)(C)C)c1	PC-id_77393744	422.499	KKWVMQDNELNXJS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125767
COc1ccc(cc1)CNc1nc2c(s1)C(=O)N(CC(=O)N2C)Cc1ccccc1	PC-id_142739072	422.5	ZPIWKOHEJQBECV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125768
COc1cc(cc(c1)CNC(=O)c1c(ccs1)N=C1CC=CNc2c1cc[nH]2)OC	PC-id_137179876	422.5	AHQQQFQBXBEYGN-UHFFFAOYSA-N	00000000100100110110000000000010000000000000000000000000	31-01-125769
COc1ccc(cc1)C(=O)NCCc1nnc2n1CC[N@H+](CC2)C/C=C/c1ccco1	GD-id_ZINC12148788	422.5	HQAQRCXGMIEKPG-DUXPYHPUSA-O	00000000101000110101000000000010000000000000000000000000	31-01-125770
COc1cccc(CC(=O)N2CCc3nc(C(=O)Nc4cccnc4)sc3CC2)c1	ZINC22_96146922,EMOLS-id_44303812,PC-id_97442446	422.5	WZFYQYXWYQIFSO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125771
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)c2cccnc2)c1	EMOLS-id_44303856,ZINC22_96146944,PC-id_97442468	422.5	VRODLZMGYDTWGT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125772
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)c2ccncc2)c1	ZINC22_96146943,EMOLS-id_44303854,PC-id_97442467	422.5	JWOKYOSYCCQEFJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125773
COc1ccc(CC(=O)N2CCc3nc(C(=O)Nc4cccnc4)sc3CC2)cc1	PC-id_97442447,EMOLS-id_44303814,ZINC22_96146923	422.5	FCMANZLVOZENMQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125774
COc1ccc(CC(=O)N2CCc3nc(C(=O)Nc4ccncc4)sc3CC2)cc1	EMOLS-id_44303788,ZINC22_96146910,PC-id_97442434	422.5	QDXPQVXDFOAKME-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125775
COc1ccc(CNc2nc3c(s2)C(=O)N(C)CC(=O)N3Cc2ccccc2)cc1	CHEMBL4551332,PC-id_142739037	422.5	VMQOPFBTQZFHML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125776
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)c2ccc(C)nc2)c1	ZINC22_1147161948,EMOLS-id_313790781	422.5	HOEPDTYEUIBKJO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125777
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)c2cccnc2)cc1	PC-id_97442478,EMOLS-id_44303876,ZINC22_96146954	422.5	HDMZBJIPGOZCMC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125778
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)c2ccncc2)cc1	PC-id_97524681,EMOLS-id_44379328,ZINC22_96264748	422.5	WOKCHIRAKQKWMM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125779
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)Nc2ccccc2)c1	EMOLS-id_44379274,ZINC22_96264721,PC-id_97524654	422.5	JHKBOXQBOQGYEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125780
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)/C=C/c2cccs2)CCC3)cc1	ZINC22_1565556810,EMOLS-id_313764552	422.5	XOVWJOBABQKLIC-MDZDMXLPSA-N	00000000100100110101000000000010000000000000000000000000	31-01-125781
COc1cc(CNC(=O)c2sccc2NC2=c3cc[nH]c3=NC=CC2)cc(c1)OC	SCHEMBL19390457	422.5	CRDDHOQANKSSNN-UHFFFAOYSA-N	00000000100100110110000000000010000000000000000000000000	31-01-125782
Oc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_42248026	422.5	MZTUUUQFQXUXBI-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125783
Oc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_42248028	422.5	MZTUUUQFQXUXBI-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125784
Oc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_74786030	422.5	MZTUUUQFQXUXBI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125785
O(c1cc(C[NH+]2CCn3c(nnc3CNC(=O)c3ccccc3)CC2)ccc1OC)C	PC-id_42169728	422.5	AHYMNNBITOKUCQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125786
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccoc3)CC2)cccc1)CC=C	PC-id_42539211	422.5	MQVWRNSITODEAS-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-125787
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3occc3)CC2)cccc1)CC=C	PC-id_42539985	422.5	KLCIGHRKNMWPMJ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-125788
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)cccc1)CC=C	PC-id_42366090	422.5	KSNOEPJIKHGJPD-QGZVFWFLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-125789
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)cccc1)CC=C	PC-id_42366093	422.5	KSNOEPJIKHGJPD-KRWDZBQOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-125790
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)c3ccccc3)CC2)ccc(OC)c1)C	PC-id_42274938	422.5	KLIWMRHIEFMCOK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125791
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cccc1)CC=C	PC-id_74799614	422.5	KSNOEPJIKHGJPD-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-125792
O=C(c1nn(c2ccccc2)c(cc1=O)C)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_31846426,CoCoCo_4198754,EMOLS-id_29971309,MCULE-1117290673	422.5	NEVBIVKHRDVZIG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125793
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1c(OC)cccc1)C)c1occc1	PC-id_74799529	422.5	INOZSPCKTNVZEK-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-125794
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)C)c1occc1	PC-id_42365528	422.5	INOZSPCKTNVZEK-ZGRWHYIRSA-O	00000000101000110101000000000010000000000000000000000000	31-01-125795
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)C)c1occc1	PC-id_42365534	422.5	INOZSPCKTNVZEK-JZLODUJNSA-O	00000000101000110101000000000010000000000000000000000000	31-01-125796
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1nc(c2ccccc2)ccc1=O	PC-id_52671674	422.5	NEINGSQTYNJYAO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125797
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccccc1)C)C#N	PC-id_45723444	422.5	XFYLSWCYALPNPS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-125798
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(N(C1=O)c1ccccc1)C)C#N	PC-id_46583686	422.5	UOEPXGRYCQGRDL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-125799
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccccc1)C)C#N	PC-id_51871926	422.5	XFYLSWCYALPNPS-QFIPXVFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-125800
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccccc1)C)C#N	PC-id_51871927	422.5	XFYLSWCYALPNPS-JOCHJYFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-125801
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1nc2n(c1)ccc(c2)C)C)C#N	PC-id_55423267	422.5	APACIYOIVZMBPO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-125802
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1nc2n(c(ccc2)C)c1)C)C#N	PC-id_55421472	422.5	LVCRXYAUNDSUHT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-125803
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(c(oc1C)n1cccc1)C#N	PC-id_24673810	422.5	OVWOVYWYJWSXNY-UHFFFAOYSA-N	00000000111000000100100000000010000000000000000000000000	31-01-125804
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1nn(c2ccccc2)c(=O)cc1	PC-id_31968263	422.5	PINUYUUHHOPKEC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125805
CSc1ccccc1C(=O)N1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	ZINC22_11971809,PC-id_42323543,EMOLS-id_20409846,MCULE-3478863024,CoCoCo_1144854	422.503	OSEZKYDKTQCAPS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125806
N/N=C(/c1ccc(c(c1)OC)n1cnc(c1)C)C=NC1CCc2c(NC1=O)ccs2	PC-id_145535141	422.503	QKFDJJDEJMDJCZ-QTQWBRDRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125807
c1(nncn1C)Sc1ccc(CN2CCn3c(CC2)nnc3Cc2cccnc2)o1	EMOLS-id_232831864,MCULE-6493255437,ZINC22_825647630	422.507	BFGAWYXUIXNGEH-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-125808
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)Cc1cc(ccc1)C(F)(F)F	PC-id_18279318	422.507	YDIBXXVJSGPVOI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125809
O1C(C(O)C(O)C(O)C1CO)c1cc(C(c2cc3-c(c2)ccccc3)(C)C)c(cc1)C	PC-id_77444969	422.513	XTWIBXNEIOMERT-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-125810
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccc(C(C)C)cc3)ccc1	PC-id_72423628	422.513	AIMQGRDIUFPIQM-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-125811
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(C(c2cc3-c(c2)ccccc3)(C)C)c(cc1)C	PC-id_68264516,SCHEMBL12439593	422.513	XTWIBXNEIOMERT-RXFVIIJJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-125812
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccc(C(C)C)cc3)ccc1	PC-id_58786135,SCHEMBL14590126	422.513	AIMQGRDIUFPIQM-RTJMFUJLSA-N	00000010100010110110100000000010000000000000000000000000	31-01-125813
c1(c2CCCCCc2sc1N=Cc1cccc(F)c1)C(=O)Nc1ccc(cc1)OC	PC-id_4417723,MCULE-8003029411	422.515	XGDQXRMEBUHNHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125814
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)F)C(=O)Nc1ccccc1C	CoCoCo_1960146,PC-id_1826021,TIMTEC63885,MCULE-6998819717,EMOLS-id_2150479,ZINC22_2191564	422.515	AVELLYQWRDMPRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125815
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1ccc(cc1)C	CoCoCo_699936,CK1408119,ZINC22_2974268,EMOLS-id_2105215,MCULE-2279786272,NSC732532,PC-id_2276427	422.515	OOEBERSHUOPYBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125816
c1(NC(=O)c2ccccc2F)sc2c(CCCCC2)c1C(=O)NCc1ccccc1	CoCoCo_700328,PC-id_2276565,ZINC22_2974796,MCULE-4669078119,EMOLS-id_2105539	422.515	XHNVHKZCODFBIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125817
Cc1cc(ccc1NC(=O)c1cccc(c1C)F)C(=O)N1CCCCc2c1ccs2	SCHEMBL8796584,PC-id_57008634	422.515	MGKVEUGFZIARSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125818
CC(c1ccc(c2-c(c1)c(cc2C(=O)C)C(=O)c1cc(c2-c1ccccc2)C(=O)C)C)C	PC-id_102042067	422.515	WHVBZYFFALKBOX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-125819
COc1ccc(cc1)NC(=O)c1c(/N=Cc2cccc(c2)F)sc2c1CCCCC2	CoCoCo_6728451	422.515	XGDQXRMEBUHNHX-YSMPRRRNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125820
COc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2cccc(F)c2)cc1	PC-id_9669749,TIMTEC545313,CoCoCo_6728450,EMOLS-id_46413483,ZINC22_4545791	422.515	XGDQXRMEBUHNHX-CVKSISIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125821
Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)C)C(=O)N1CCCCc2c1ccs2)C	PC-id_141847642	422.515	KZDIBELGOMWIJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125822
Fc1ccc(c(c1)C(=O)Nc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2)C	SCHEMBL8796878,PC-id_56982308	422.515	WVGHIFDGEMYZQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125823
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)N	CoCoCo_5190100,MCULE-7633400794,EMOLS-id_5624996,PC-id_18586174,ZINC22_10219342	422.518	CBNRTGLJAGEEDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125824
c1(sc2c(CCCCC2)c1C(=O)OC)NS(=O)(=O)c1ccc(cc1)NC(=O)C	EMOLS-id_1088017,PC-id_1220038,TIMTEC503507,ZINC22_994999,SPECS-id_AK-968/11842257,MCULE-3266323843,CoCoCo_684330	422.518	VLJITGIQYXRWSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125825
CCOC(=O)c1ccc(cc1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-3538635211,PC-id_17499026,CoCoCo_3538121,EMOLS-id_16674794	422.518	SFOWBVCHCOMAPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125826
Fc1ccc(C(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2cc(c(cc2)C)C)cc1	PC-id_42329390	422.518	SBDOIVPRKRCGHU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125827
Fc1ccc(C(=O)NCCc2n3CC[NH+](CCc3nn2)CC(c2ccccc2)C)cc1	PC-id_74800263	422.518	KKMJOBBWROTAPV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125828
Fc1ccc(C(=O)NCCc2n3CC[NH+](CCc3nn2)CCCc2ccccc2)cc1	PC-id_42190872	422.518	VPULVTDKQCTLKI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125829
Fc1ccc(C(=O)NCCc2n3CC[NH+](CCc3nn2)C[C@@H](c2ccccc2)C)cc1	PC-id_42371839	422.518	KKMJOBBWROTAPV-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125830
Fc1ccc(C(=O)NCCc2n3CC[NH+](CCc3nn2)C[C@H](c2ccccc2)C)cc1	PC-id_42371841	422.518	KKMJOBBWROTAPV-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125831
Fc1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)ccc1	PC-id_26348838	422.518	XRWGNKRKECJCRD-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125832
Fc1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)ccc1	PC-id_26348840	422.518	XRWGNKRKECJCRD-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125833
Fc1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)ccc1	PC-id_74499237	422.518	XRWGNKRKECJCRD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125834
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2c(cc(c(c2)C)C)C)ccc1	PC-id_42164079	422.518	NBQYYRBOAJLXBV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125835
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)C(C)C)ccc1	PC-id_42325354	422.518	FUUUYBQSYFZMFU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-125836
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(c(cc(c1)C(=O)O)C)C	PC-id_24449847	422.518	YLFVQSPLAJHQTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125837
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(CCC(=O)O)cc1	PC-id_24449848	422.518	XBQTWWGPRRYESX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125838
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1ccc(S(=O)(=O)N)cc1)C	PC-id_16509432	422.518	HCZGKDYLAQUQPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125839
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N)c(cc1)C	PC-id_55366518	422.518	XISMROQPLWUKPG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125840
s1c2CCCCCc2cc1C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N)cc1	PC-id_31279094	422.518	BVJBWDIYBPJYAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125841
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(S(=O)(=O)N)cc1)C	PC-id_2669538	422.518	HCZGKDYLAQUQPD-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125842
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(S(=O)(=O)N)cc1)C	PC-id_2669539	422.518	HCZGKDYLAQUQPD-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125843
s1c2c(CCCCC2)c(c1NC(=O)NS(=O)(=O)c1ccccc1)C(=O)OCC	PC-id_45112348	422.518	ZXDSVCPPTGQIJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125844
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(cc1)C(=O)OC	PC-id_24510083	422.518	SDJYLQJMURCXFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125845
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(ccc(c1)C(=O)O)C	PC-id_25679871	422.518	SKEZEAJMIQQIMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125846
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1)C(=O)OC	PC-id_31701966	422.518	LNCXWFKSJYDPIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125847
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(cccc1)C(=O)OC	PC-id_55353219	422.518	DIRYPKDEJDDPKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125848
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N)cc1	PC-id_16512664	422.518	CTDKZZUWRUDDJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125849
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N)ccc1	PC-id_24341550	422.518	VTSDGKQVKNFVDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125850
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCN(CC1)C(=O)c1ccccc1)cc2	PC-id_10550164,SCHEMBL6991322	422.52	UVTAEKDMEZCOGN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125851
CN=C(NCc1nnc2n1CCCCC2)NCc1cc(F)ccc1CS(=O)(=O)C	PC-id_109444477	422.52	LCTJPNBHOVZPAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125852
COc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c(OC)c1OC	PC-id_26322086,CoCoCo_1444324,MCULE-1810555904,ZINC22_14960549,EMOLS-id_20617499,CoCoCo_1444323	422.52	QHSNEUABAXCZCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125853
COc1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc(OC)c1OC	ZINC22_14881808,PC-id_26277482,CoCoCo_1201046,MCULE-1255433350,CoCoCo_1201045,EMOLS-id_20450511	422.52	MHELTVGDTQUWGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125854
c1(NC(=O)CCC(=O)Nc2ccc(cc2)S(=O)(=O)N)sc2c(CCCCC2)n1	MCULE-5346153582,EMOLS-id_335070874	422.522	YMJKNVPSIDLGRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125855
c1(NC(=O)CSc2[nH]c(=O)cc(N)n2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_135402607,MCULE-6360855826,CoCoCo_936685,EMOLS-id_2215365,ZINC22_6458431	422.522	SWXVVPBJEHMIIJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-125856
CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625405	422.522	JOVGDLLLMWSTID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125857
O(C(=O)N1CCN(CC1)CCNC(=O)Cn1nc2n(CCCCC2)c1=O)C(C)(C)C	PC-id_55991411	422.522	HLMNCGXKKIXCBH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125858
s1c2CCCCCc2cc1C(=O)NNC(=O)CSCC(=O)Nc1noc(c1)C	PC-id_43004220	422.522	YSBDRLROWZBLNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125859
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc(C)o3)CCn12	MCULE-4206574104,PC-id_45174034,EMOLS-id_20415622	422.523	DYBWFGSGQTVQHS-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-125860
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(C)n3)CCn12	ChEMBL-DNDi_CHEMBL51095511,MCULE-6544477297,PC-id_45216937,EMOLS-id_20601663	422.523	QRNPODXUUVTTFS-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-125861
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3cc4c(cccc4)[nH]3)CCn12	EMOLS-id_20610753,MCULE-1244851443,PC-id_45219135	422.523	SIRNKCJUJPNHLL-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-125862
Cc1cc(c(c(c1)C)NC(=O)CN(C)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)C	PC-id_135666971	422.523	LEFWGEDQPNIIAA-HNENSFHCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125863
Cc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)n1	CoCoCo_1420663,CoCoCo_1420662,ZINC22_19300263,PC-id_28133620	422.523	QRNPODXUUVTTFS-LJQANCHMSA-N	00000000101000101101000000000010000000000000000000000000	31-01-125864
Cc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)n1	CoCoCo_1420665,PC-id_28133621,CoCoCo_1420664,ZINC22_19300265	422.523	QRNPODXUUVTTFS-IBGZPJMESA-N	00000000101000101101000000000010000000000000000000000000	31-01-125865
Cc1ccc([C@@H](C)CCN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)o1	ZINC22_11869478,PC-id_42236946,CoCoCo_1238533,CoCoCo_1238535	422.523	HIZKWWSOKIZBNV-KRWDZBQOSA-N	00000000101000101101000000000010000000000000000000000000	31-01-125866
Cc1ccc([C@H](C)CCN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)o1	ZINC22_11869482,CoCoCo_1238534,PC-id_42236949,CoCoCo_1238536	422.523	HIZKWWSOKIZBNV-QGZVFWFLSA-N	00000000101000101101000000000010000000000000000000000000	31-01-125867
Cc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)o1	CoCoCo_1152754,CoCoCo_1152753,ZINC22_19742113	422.523	DYBWFGSGQTVQHS-HXUWFJFHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-125868
Cc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)o1	ZINC22_19742115,CoCoCo_1152755,CoCoCo_1152756	422.523	DYBWFGSGQTVQHS-FQEVSTJZSA-N	00000000101000101101000000000010000000000000000000000000	31-01-125869
CC(C)(C)c1ccc(Cn2nccc2NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1	ZINC22_29321803,EMOLS-id_320310501,MCULE-3801190505	422.523	XTCXVDCJIMBCHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125870
CC(CCN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1)c1ccc(C)o1	EMOLS-id_20477119,PC-id_45188257,MCULE-6290860893	422.523	HIZKWWSOKIZBNV-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-125871
CC[C@H](C(=O)NCc1nnc2n1CCN(CC2)C(=O)CCc1c[nH]c2c1cccc2)C	CoCoCo_1488020	422.523	AUPORUPZTGFAFA-MRXNPFEDSA-N	00000000100000100101000001100010000000000000000000000000	31-01-125872
CC[C@@H](C(=O)NCc1nnc2n1CCN(CC2)C(=O)CCc1c[nH]c2c1cccc2)C	CoCoCo_1488021	422.523	AUPORUPZTGFAFA-INIZCTEOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-125873
C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2	CoCoCo_1434318,CoCoCo_1434319,ZINC22_12048118	422.523	SIRNKCJUJPNHLL-INIZCTEOSA-N	00000000100010100101000001100010000000000000000000000000	31-01-125874
C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2	ZINC22_12048116,CoCoCo_1434317,CoCoCo_1434316	422.523	SIRNKCJUJPNHLL-MRXNPFEDSA-N	00000000100010100101000001100010000000000000000000000000	31-01-125875
COc1ccc(cc1)c1occ(n1)CN1CCN(CC1)Cc1nnc2n1CCCCC2	CoCoCo_4896620,CoCoCo_4896621,MCULE-2290158401,PC-id_45891602,EMOLS-id_257839801	422.523	LODNXUDREIVWJU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-125876
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)C(=O)C=Cc1ccncc1	PC-id_74780066,MCULE-5827141924	422.523	XHMSVAVEUQPPNV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-125877
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)C(=O)CC1=CCCCC1	ChEMBL-DNDi_CHEMBL11167022,ZINC22_11881921,PC-id_42247919,EMOLS-id_20396496,CoCoCo_1127130,MCULE-6848843513	422.523	CNNUYVTYVIGNAT-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-125878
O=c1n2CCCCCc2nn1CC(=O)Nc1n(nc(C(C)(C)C)c1)c1cc(ccc1)C	PC-id_55764164	422.523	QRXUCJMPTBGJJQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125879
O=c1n2CCCCCc2nn1CC(=O)Nc1n(nc(C(C)(C)C)c1)Cc1ccccc1	PC-id_55579546	422.523	HUPOSVJRSUVAKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125880
O=c1n2CCCCCc2nn1CC(=O)N(Cc1c(n(nc1C)c1c(cccc1)C)C)C	PC-id_56042389	422.523	WPLQQSFWFSNZDX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125881
O=C(C1CCCCC1)NCCc1nnc2n1CCN(CC2)C(=O)/C=Cc1ccncc1	CoCoCo_1225642	422.523	XHMSVAVEUQPPNV-SREVYHEPSA-N	00000000100010101101000000000010000000000000000000000000	31-01-125882
O=C(C1CN(C(=O)C1)c1ccccc1)N1CCN(CC1)Cc1nnc2n1CCCCC2	EMOLS-id_44094452,PC-id_45879553,MCULE-7346428399	422.523	XCRIEVUPSIUMTR-UHFFFAOYSA-N	00000010100010110101100000000010000000000000000000000000	31-01-125883
O=C(C(=C1N2CCCCCC2=NN1)C#N)CN(CC(=O)Nc1c(cc(cc1C)C)C)C	PC-id_78739306	422.523	PGAFGCZXPFDGIL-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-125884
O=C(/C(=C
/N2CCCCCC2=NN1)/C#N)CN(CC(=O)Nc1c(cc(cc1C)C)C)C	PC-id_8622358	422.523	PGAFGCZXPFDGIL-PTGBLXJZSA-N	00000011000000110111000000000010000000000000000000000000	31-01-125885
O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_40079929,PC-id_51938436,CoCoCo_4829091	422.523	XCRIEVUPSIUMTR-GOSISDBHSA-N	00000010100010110101100000000010000000000000000000000000	31-01-125886
O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_40079932,CoCoCo_4829092,PC-id_51938437	422.523	XCRIEVUPSIUMTR-SFHVURJKSA-N	00000010100010110101100000000010000000000000000000000000	31-01-125887
O=C(N1CCn2c(nnc2CNC(=O)C(CC)C)CC1)CCc1c2c([nH]c1)cccc2	PC-id_45227583	422.523	AUPORUPZTGFAFA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-125888
O=C(NCCc1n2CCCCCc2nn1)CCc1onc(n1)c1ccc(C(C)C)cc1	PC-id_55534832	422.523	MFXAEHCUOOXXEQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125889
O=C(NCCc1nnc2CCN(CCn12)C(=O)/C=C/c1ccncc1)C1CCCCC1	CoCoCo_1225641,EMOLS-id_25995513,PC-id_42164310,ZINC22_11784171	422.523	XHMSVAVEUQPPNV-VOTSOKGWSA-N	00000000100010101101000000000010000000000000000000000000	31-01-125890
N#Cc1ccc(nc1)N1CCC(CC1)NC(=O)NCCCc1nnc2n1CCCCC2	PC-id_86884751	422.527	RFTNQTNMDXJSIL-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-125891
C=C/C=C(/c1[nH]c2c(c1Nc1cccc(c1OC)F)C(=CCC)CCCC2)C(=C/C)O	PC-id_142566615	422.535	IQADXWQMOBFMQK-HCDRQCTDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125892
O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2ccccc2F)CC1	EMOLS-id_18858206,CoCoCo_3310234,ZINC22_5823850,PC-id_7809134,MCULE-3081607063	422.537	CFHRNBSVZATJPU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125893
O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC22_3459484,MCULE-1322007798,EMOLS-id_45714649,PC-id_2579828	422.537	VNHZVTQRRDUCBK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125894
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1)c1cc(F)ccc1	PC-id_9156636	422.537	MOSFDTNJYUORES-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125895
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(CCC1)C(=O)OCC)C(=O)OC	PC-id_78718840	422.538	DFUXLAFOSRQBQO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-125896
s1c2c(CCCCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)OCC)C(=O)OC	PC-id_8931641	422.538	FQHTWZLYVQGSGY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-125897
s1c2c(CCCCC2)c(c1NC(=O)CN1C[C@@H](CCC1)C(=O)OCC)C(=O)OC	PC-id_8533264	422.538	DFUXLAFOSRQBQO-CQSZACIVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-125898
s1c2c(CCCCC2)c(c1NC(=O)CN1C[C@H](CCC1)C(=O)OCC)C(=O)OC	PC-id_8533267	422.538	DFUXLAFOSRQBQO-AWEZNQCLSA-N	00000000100010000100000000000010000000000000000000000000	31-01-125899
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC1CCN(CC1)C(=O)OCC	PC-id_34783879	422.538	MHHKCEKFDSYGIR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-125900
c1(NC(=O)CCC(=O)NC2CCN(C(=O)OCC)CC2)sc2c(CCCCC2)n1	EMOLS-id_335082901,MCULE-1273998249	422.542	OLTMCAHYGVBUMR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125901
s1c2c(CCCCC2)cc1C(=O)N(C1C(N(CCC)C(=O)NC1=O)N)CCOC	PC-id_74324838	422.542	QPPAZZHSVOMLFP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-125902
c1(c2CCCCCCc2sc1NC(=O)c1ccnn1C)C(=O)Nc1ccccc1C	MCULE-8339000850,PC-id_17372195,ZINC22_6789777,CoCoCo_6806851,EMOLS-id_4105513,TIMTEC125993	422.543	DMEGTIHQZMZYCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125903
CCc1ccc(C(=O)c2ccccc2C(=O)NCCc2nnc3n2CCCCC3)s1	ZINC22_89286801,EMOLS-id_45685347,MCULE-9723326121,PC-id_71911686	422.543	FFQJYEHKOCXLOP-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-125904
CCn1ccc(n1)C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	GD-id_ZINC20437413	422.543	SVFJFVIMVGRVJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125905
CCOc1ccccc1NC(=O)C(c1ccccc1)Sc1nnc2n1CCCCC2	MCULE-2335584814,EMOLS-id_11792448,PC-id_16348152	422.543	KKLNUDAJTYLMJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125906
CCOc1ccccc1NC(=O)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1	CoCoCo_3081403,ZINC22_6097073,PC-id_7876664	422.543	KKLNUDAJTYLMJH-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125907
CCOc1ccccc1NC(=O)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1	PC-id_7876663,ZINC22_6097071,CoCoCo_3081404	422.543	KKLNUDAJTYLMJH-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125908
COc1ccc(cc1)C(c1ccccc1)NC(=O)CSc1nnc2n1CCCCC2	MCULE-2979799533,PC-id_16294467,EMOLS-id_3595276	422.543	HOFUHJTUSIQWNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125909
COc1ccc(cc1NC(=O)C(c1ccccc1)Sc1nnc2n1CCCCC2)C	PC-id_16294907,MCULE-1511559323,EMOLS-id_11714271	422.543	RRYDHVFKZWYHPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125910
COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1	CoCoCo_3081396,ZINC22_6097068,PC-id_7876661	422.543	RRYDHVFKZWYHPA-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125911
COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_6097067,CoCoCo_3081395,PC-id_7876660	422.543	RRYDHVFKZWYHPA-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125912
COc1ccc([C@H](NC(=O)CSc2nnc3n2CCCCC3)c2ccccc2)cc1	CoCoCo_3892246,PC-id_8521411,ZINC22_7426225	422.543	HOFUHJTUSIQWNO-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125913
COc1ccc([C@@H](NC(=O)CSc2nnc3n2CCCCC3)c2ccccc2)cc1	PC-id_8521412,ZINC22_7426226,CoCoCo_3892247	422.543	HOFUHJTUSIQWNO-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125914
O=C(c1c(sc2c1CCCCCC2)NC(=O)c1ccnn1C)NCc1ccccc1	GD-id_ZINC20444650	422.543	MECCZCITXKXDIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125915
O=C(Cc1c(C)nn(c2ccccc2)c1C)Nc1sc2CCCCCc2c1C(=O)N	PC-id_52479711,MCULE-9201037850	422.543	JCISJFGCYYOBML-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125916
O=C(NCc1n2CC[NH+](CCc2nn1)CCC(c1ccccc1)C)c1c(oc(c1)C)C	PC-id_74501035	422.543	YPZMMPVIDCURJA-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-125917
O=C(NCc1n2CC[NH+](CCc2nn1)CC[C@@H](c1ccccc1)C)c1c(oc(c1)C)C	PC-id_26352264	422.543	YPZMMPVIDCURJA-KRWDZBQOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-125918
O=C(NCc1n2CC[NH+](CCc2nn1)CC[C@H](c1ccccc1)C)c1c(oc(c1)C)C	PC-id_26352269	422.543	YPZMMPVIDCURJA-QGZVFWFLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-125919
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1c(n(nc1C)c1ccccc1)C	PC-id_9163632	422.543	VIBCFFBWLUFNGE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125920
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(Cn2nc(cc2C)C)cc1)C(=O)N	PC-id_56209776	422.543	KEDZUPDBBSVXHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125921
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc2CCN(c2cc1)C(=O)C)C)C#N	PC-id_60356952	422.543	KFPVSQBZHGUXOO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-125922
s1c2CCCCCc2c(c1NC(=O)C(Nc1ccc(C(=O)NC2CC2)cc1)C)C#N	PC-id_55511215	422.543	RZWBBKTYLYZYJC-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-125923
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc(N2CCCC2=O)ccc1)C)C#N	PC-id_60356944	422.543	XULUEYDOBRUSPH-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-125924
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)c1cc2[nH]cnc2cc1	PC-id_52731962	422.543	XCMOGLPGFNQFPA-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-125925
s1c2CCCCCCc2cc1C(=O)NCc1cc(NC(=O)Cn2nccc2)ccc1	PC-id_55953258	422.543	BGSSVUKRCGYKHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125926
S(c1n2CCCCCc2nn1)C(C)C(=O)Nc1ccc(OCc2ccccc2)cc1	PC-id_24371218	422.543	IOSBBTCEPUSOGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125927
S(c1n2CCCCCc2nn1)[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1	PC-id_7877164	422.543	IOSBBTCEPUSOGM-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125928
S(c1n2CCCCCc2nn1)[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1	PC-id_7877166	422.543	IOSBBTCEPUSOGM-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125929
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc2c(c1)sc(n2)NS(=O)(=O)C	EMOLS-id_323453784,MCULE-3563153496	422.545	DZHITEJSNNMWKX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-125930
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c2nsnc2ccc1	PC-id_43001016	422.545	JNGAXJASSIQYCR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-125931
C1CN(CCN1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)NCCc1ccccn1	PC-id_89125878	422.546	AXUBAXBSTDLAOO-UHFFFAOYSA-N	00000000100010101111000000000010000000000000000000000000	31-01-125932
C1CN(CCN1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)NCCc1cnccc1	PC-id_89125914	422.546	DUQSPYNLEWGENJ-UHFFFAOYSA-N	00000000100010101111000000000010000000000000000000000000	31-01-125933
CSc1ccc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1	MCULE-5096708903,EMOLS-id_20492797,ZINC22_20599374,CoCoCo_1260937,CoCoCo_1260936,PC-id_29085968	422.546	VRJIATHCCNNEKI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-125934
O=C(c1sc2c(c1)C/N=C(/NCCc1ccccn1)N=C/C/C=C)N1CCNCC1	SCHEMBL13591890	422.546	AXUBAXBSTDLAOO-ZDGBCSOPSA-N	00000000100010101111000000000010000000000000000000000000	31-01-125935
O=C(c1sc2c(c1)C/N=C(/NCCc1cccnc1)N=C/C/C=C)N1CCNCC1	SCHEMBL13591949	422.546	DUQSPYNLEWGENJ-YQESJPKOSA-N	00000000100010101111000000000010000000000000000000000000	31-01-125936
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nnc1SCc1sccc1	PC-id_56089220	422.548	WEWYNMBJVDBSAF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-125937
CCCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCCCCCCC2	PC-id_7303275,GD-id_ZINC04614935	422.558	XNBIJLNPHYRMST-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-125938
CCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCCCCCCC2	PC-id_7303124,GD-id_ZINC04614573	422.558	JSAOTYACARQDQV-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-125939
O=C(c1ccc2-c1ccc(cc2)C(C)(C)C)C(=O)c1ccc2-c1ccc(cc2)C(C)(C)C	PC-id_101845456	422.558	JCMDKYXATLAVJC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-125940
[O-]C(=O)CCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCCCCCCC2	PC-id_7309786,GD-id_ZINC04651134	422.558	HGTNIVXEYNLVSS-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-125941
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)CCC(=O)[O-])C(=O)OCC	PC-id_7310110	422.558	PUGRHIWSFJDCHB-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-125942
COc1ccc(cc1)N=Nc1ccc(cc1)Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102075940	422.561	GWFCGMCIEAOURJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-125943
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)c(OCC)cc1	PC-id_9470114	422.561	AWSWLUHMLFPFKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125944
s1c2CCCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC	PC-id_8838643	422.561	FEDXKTAAOFZELS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125945
s1c2CCCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)c(OC)cc1	PC-id_9474015	422.561	FWLMKYDKXPZEMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125946
s1c2CCCCCCc2nc1NC(=O)CCCOc1ccc(S(=O)(=O)C)cc1	PC-id_56161005	422.561	BOHBPVNCJHAGFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125947
CCN(c1ccc(c(c1)C)NC(=O)OCCc1nc2=CC=CCCC=c2n1CC)CC	PC-id_142101892	422.563	JCNLOJXAIHGBBV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-125948
CC(=O)/C=C
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CSc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	SCHEMBL8796814,PC-id_57269116	422.563	NTRFUCWCXQSPQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-125950
O=C(CC(C(C)(C)C)C(=O)NC)c1nc(n2c1CN(CCC2)C)C=Cc1ccccc1	PC-id_76657257	422.563	QPVPRYZCUHDBDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125951
O=C(C[C@@H](C(C)(C)C)C(=O)NC)c1nc(n2c1CN(CCC2)C)/C=C/c1ccccc1	PC-id_58135672	422.563	QPVPRYZCUHDBDH-JXOMPUQVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125952
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1[C@@H]1CCS(=O)(=O)C1	PC-id_7876726,CoCoCo_3081462,ZINC22_6097182	422.565	BKSDNSKNQHVNDB-OAHLLOKOSA-N	00000010110000000101100000000010000000000000000000000000	31-01-125953
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1[C@H]1CCS(=O)(=O)C1	ZINC22_6097184,PC-id_7876727,CoCoCo_3081461	422.565	BKSDNSKNQHVNDB-HNNXBMFYSA-N	00000010110000000101100000000010000000000000000000000000	31-01-125954
n12nnnc1/C(=C/C=C/c1ccccc1)/CC(C(C)(C)C)CC2=CC=Cc1ccccc1	PC-id_11350723	422.565	NSAMMSZTJDRLKQ-NQJXXOFUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125955
n12nnnc1C(=CC=Cc1ccccc1)CC(C(C)(C)C)CC2=CC=Cc1ccccc1	PC-id_72812305	422.565	NSAMMSZTJDRLKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125956
O=C(c1cc(n(c1C)C1CCS(=O)(=O)C1)C)CSc1nnc2n1CCCCC2	EMOLS-id_3660043,MCULE-5341258245,PC-id_16291140	422.565	BKSDNSKNQHVNDB-UHFFFAOYSA-N	00000010110000000101100000000010000000000000000000000000	31-01-125957
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)[C@H]1CCS(=O)(=O)C1)C	CoCoCo_3081466,CoCoCo_3081467	422.565	HCUVJUIWPKGBTL-VUVCFOEZSA-N	00000010110000000101100000000010000000000000000000000000	31-01-125958
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)[C@@H]1CCS(=O)(=O)C1)C	CoCoCo_3081468,CoCoCo_3081464	422.565	HCUVJUIWPKGBTL-QAEAHILHSA-N	00000010110000000101100000000010000000000000000000000000	31-01-125959
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)[C@@H]1CCS(=O)(=O)C1)C	CoCoCo_3081469,CoCoCo_3081465	422.565	HCUVJUIWPKGBTL-QJISPJEISA-N	00000010110000000101100000000010000000000000000000000000	31-01-125960
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)[C@H]1CCS(=O)(=O)C1)C	CoCoCo_3081470,CoCoCo_3081463	422.565	HCUVJUIWPKGBTL-ZCQLHAAUSA-N	00000010110000000101100000000010000000000000000000000000	31-01-125961
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)C)C(=O)OC	PC-id_19715929	422.565	YNENUPXSOAKMON-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125962
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)C)C(=O)OC	PC-id_19716056	422.565	JELGFABWRZPXRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125963
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)C)C(=O)OCC	PC-id_19715802	422.565	FXUMSKBOQXQKQT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125964
s1c2c(CCCCC2)c(c1NC(=O)CSc1nc([nH]n1)C(C)C)C(=O)OCC	PC-id_4460738	422.565	MNCJKEZGMOECRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125965
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)C)C(=O)OC	PC-id_17284733	422.565	KURLZGHRAQWHDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125966
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC)CC)C(=O)OC	PC-id_19716451	422.565	XVVOVLCFIWFDAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125967
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC)C)C(=O)OCC	PC-id_19716407	422.565	BPZMVFIJZHSGFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125968
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)C)C(=O)OC	PC-id_19715741	422.565	LFLJONKNCLDSHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125969
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC)C)C(=O)OC	PC-id_19716341	422.565	CPXWYBJVZMVVOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125970
S(c1n2CCCCCc2nn1)CC(=O)Nc1sc(c(c1C(=O)OCC)CC)C	PC-id_7876967	422.565	ZNQUJLZPRCPIDW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-125971
S(c1n2CCCCCc2nn1)CC(=O)Nc1sc(c(c1C(=O)OCC)C)CC	PC-id_7877105	422.565	YABMNLMENKGJEH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-125972
S(c1n2CCCCCc2nn1)CC(=O)Nc1sc(C(C)C)cc1C(=O)OCC	PC-id_7876801	422.565	IBLMFGKVYCIPFM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-125973
S(=O)(=O)(N1CCCC1)c1cc(n(c1)C)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56021720	422.565	SZGDBHARWJVHMO-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-125974
CN(C)c1ccc(/C=C/CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1	CoCoCo_1205177,EMOLS-id_44851685,ZINC22_14882783,PC-id_26278677,CoCoCo_1205179	422.566	NYYFZZWSGQNJDQ-SNAWJCMRSA-N	00001000100000110101000000000010000000000000000000000000	31-01-125975
n12CCN(CCc1nnc2CCNC(=O)C1CCC1)CC=Cc1ccc(cc1)N(C)C	PC-id_74494153,MCULE-2290847440	422.566	NYYFZZWSGQNJDQ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-125976
NCC(CN1CCC(CC1)Nc1nc2c(n1Cc1cccc(n1)C)CC=CC=C2C)O	PC-id_142035235	422.566	VSJYREVFPHKZMP-UHFFFAOYSA-N	00000000100010101111000000000010000000000000000000000000	31-01-125977
O=C(C1CCC1)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccc(cc1)N(C)C	CoCoCo_1205176,CoCoCo_1205178	422.566	NYYFZZWSGQNJDQ-PLNGDYQASA-N	00001000100000110101000000000010000000000000000000000000	31-01-125978
s1c2CCCCCc2c(c1NC(=O)CSc1n(Cc2ccccc2)ccn1)C#N	PC-id_24381459	422.566	AEWXWOOGWHBBSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125979
Cc1csc(SCC(=O)N2CCc3nnc(CCNC(=O)C(C)C)n3CC2)n1	PC-id_26340453,MCULE-9772867699,ZINC22_14985807,EMOLS-id_20700163	422.568	JVEDZJCSFNXQPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-125980
CCNC(=NCCCn1c(C)nc2c1cccc2)NCCc1nnc2n1CCCCC2	PC-id_111352340	422.57	LBSYFXHDIZLAJS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-125981
CN=C(NCCCc1nnc2n1CCCCC2)NCCCn1c(C)nc2c1cccc2	PC-id_111353094	422.57	FRZQGMPCKWVNQK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-125982
s1c(C(=O)N(C2CC2)Cc2ccc(C(=O)NC3CC3)cc2)cc2c1CCCCCC2	PC-id_46565686	422.583	AUTNSQKNOIOQHQ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-125983
N(c1ccc2-c(ccc2/C(=C/C=CC(=[N+](C)C)C=C2)/c2ccc(N(C)C)cc2)cc1)(C)C	PC-id_10721704	422.584	ICTLTDJMLPGGEM-UHFFFAOYSA-N	00000010100011110110000000000010000000000000000000000000	31-01-125984
c1(NC(=S)NC(=O)Cc2cccs2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2567229448,ZINC22_3669678,BAS-01555695,PC-id_3132671,EMOLS-id_1343302,CoCoCo_205648,TIMTEC111158	422.585	CVRCEKAANRNCEC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-125985
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(c(c1)CC)C	PC-id_122605739,SCHEMBL18133067	422.586	LHIUBSJAQJWFAN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-125986
C[C@@H](Nc1ccccc1N1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_12554777,CoCoCo_4229140,PC-id_25355111	422.586	NHEIDGFLMBKUPU-QGZVFWFLSA-N	00000000100010110100100000000010000000000000000000000000	31-01-125987
C[C@H](Nc1ccccc1N1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_12554781,PC-id_25355115,CoCoCo_4229139	422.586	NHEIDGFLMBKUPU-KRWDZBQOSA-N	00000000100010110100100000000010000000000000000000000000	31-01-125988
N#Cc1c(NC(=O)C(Nc2ccccc2N2CCCCC2)C)sc2c1CCCCC2	MCULE-6154805912,PC-id_45355648,EMOLS-id_43982460	422.586	NHEIDGFLMBKUPU-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-125989
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)c1cc(ccc1)C)C#N	PC-id_46662897	422.586	ZUIHYBFPCFBBEN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-125990
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)c1c(cccc1)C)C#N	PC-id_8725228	422.586	ZCFVGMYYPAPAJF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-125991
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1ccccc1)C#N	PC-id_31127667	422.586	IXXWGCZCCDRKSL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125992
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(c(ccc1)C)C)C#N	PC-id_22199340	422.586	FMPUNUZPFKEYML-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-125993
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(N(CC1)c1ccc(cc1)C)C)C#N	PC-id_22199634	422.586	MXVSYCWKGCXOJC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-125994
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C)C#N	PC-id_22194940	422.586	JGXUIWHXADJVAZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125995
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1c(cccc1)C)C#N	PC-id_22195317	422.586	KVCZKFUFCGHCAP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125996
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CCC1)Cc1ccccc1)C#N	PC-id_16618252	422.586	ZUXSTQXNMWLSJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-125997
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(cccc1)C)C#N	PC-id_22200611	422.586	YRZNIQKLBWFQSP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-125998
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)C#N	PC-id_22198184	422.586	AXNHGBCCIKHURC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-125999
s1c2CCCCCc2c(c1NC(=O)C(Sc1sc(OC(C)C)nn1)C)C#N	PC-id_56168097	422.588	QGMWWNPVTRFDEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126000
O=C(c1c2-c(c(c1)C)cc(C(C)C)ccc2C)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_10884349	422.601	QLABEAQKSHJNMN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-126001
s1c2c(CCCCCC2)c(c1N=Cc1sccc1)C(=O)Nc1cc(cc(c1)C)C	PC-id_23934981	422.606	SORRYUPFXVLNLX-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-126002
s1c2c(CCCCCC2)c(c1N=Cc1sccc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_24105780	422.606	XUMMBXNEXGZLFK-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-126003
s1c2c(CCCCCC2)c(c1N=Cc1sccc1)C(=O)Nc1c(c(ccc1)C)C	PC-id_24153980	422.606	TZPODMLGGDNCLK-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-126004
s1c2c(CCCCCC2)c(c1N=Cc1sccc1)C(=O)Nc1cc(c(cc1)C)C	PC-id_24155795	422.606	BIBLQOFKYHUNEA-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-126005
CCC1CN(CCC1c1ccccc1)C(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109566383	422.609	XXDXYIYFYDASTC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126006
CCNC(=NCC1(CCCC1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111852728	422.609	QEJAACDJDVMBDJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-126007
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(C(C1)CC)c1ccccc1	PC-id_109566281	422.609	JSYKPJFIYJMCEA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126008
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C(C1)C)c1ccccc1	PC-id_109544178	422.609	REUUKXRWXYMUCQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126009
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(CC1)Cc1ccccc1	PC-id_111152890	422.609	CWHDOZYOFZXVRL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126010
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCC(CC1)c1ccccc1	PC-id_112076926	422.609	GTGQNLNBYGNZDP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126011
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCC(C1)S(=O)CC	PC-id_109437853	422.631	WNSCJOJOKXWMKL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-126012
NCCCC[C@H]1CN(CC(C)C)c2c(C(=N1)SCCC(=O)N)nn(c2)CC(C)C	SCHEMBL3467676,BindingDB_PC-id_46841115,PC-id_46841115	422.631	BXAOBODAUFERDG-KRWDZBQOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-126013
S(C1=NC(CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCN)CCC(=O)N	PC-id_75217903	422.631	BXAOBODAUFERDG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-126014
s1c2c(CCCCC2)c(c1NC(=S)NC1CCC(C(C)(C)C)CC1)C(=O)OC	PC-id_20179937	422.648	IDXPCNWORDSJNN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126015
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCC(CC1)CC)C(=O)OCC	PC-id_20179847	422.648	PUSGNQGFJIBDEB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126016
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCCCCCC1)C(=O)OCC	PC-id_19650560	422.648	DVVYSKOCYCIFTF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-126017
s1c(NC(=S)NC2CC(CC(C2)C)(C)C)c(c2CCCCCc12)C(=O)OCC	PC-id_19652701	422.648	ZFXCQHXDMMZQRN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126018
s1c(NC(=S)NC2CC(CC(C2)C)(C)C)c(c2CCCCCCc12)C(=O)OC	PC-id_19652694	422.648	YJRDLTOJCSNSSZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126019
C(CCCCCCCc1c2-c(cc1)cc(C(C)C)ccc2)CCCCCCCCCC	PC-id_19996671	422.729	UIVTXJRPMSEZMR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-126020
C(CCCCCCCCCc1c2-c(cc1)ccccc2)CCCCCCCCCCC	PC-id_19815754	422.729	GQMCFFZKXXVJAX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-126021
C(CCCCCCCCCCC)CCCCCCCCc1c2-c(cc1)cc(ccc2)C	PC-id_19815677	422.729	JJFXIGNUDRMBIM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-126022
ClC1=Cc2nc([nH]c2CC=C1)CCNC(=O)c1cccn(c1=N)C(=N)c1ccco1	PC-id_144069660	422.868	BEBWVCWIQJFOFU-UHFFFAOYSA-N	00000000101000101111000000000010000000000000000000000000	31-01-126023
c1(NC(=O)c2ccc(cc2Cl)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_1114722,PC-id_1292617,EMOLS-id_2444490,CoCoCo_904202,MCULE-5900460054,TIMTEC301401,ChEMBL-DNDi_CHEMBL7271954	422.883	LZZGGDDCMFJHJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126024
c1(NC(=O)c2ccc(cc2Cl)N(=O)=O)sc2c(CCCCCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL6106214,EMOLS-id_2388706,CoCoCo_740234,MCULE-6001979209,PC-id_2268333,ZINC22_2950860	422.883	KDAUMKDHYFGTHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126025
O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2Cl)sc2c1CCCCCC2	ZINC22_408969736	422.97	SRIOXBGNBUDTDF-WGOQTCKBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126062
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_1102477,CoCoCo_1754967,MCULE-5551030252,EMOLS-id_5391518,PC-id_1282927	422.883	ZJRCENCIPALUKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126026
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_2922380,EMOLS-id_2095979,MCULE-2740448482,TIMTEC520835,ChEMBL-DNDi_CHEMBL5698600,PC-id_2259548,CoCoCo_684023	422.883	WEPAZARUPDGEFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126027
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	PC-id_1001464,ZINC22_657143,TIMTEC134822,ChEMBL-DNDi_CHEMBL7268184,EMOLS-id_2444225,SPECS-id_AK-968/41926741,MCULE-5213878825,CoCoCo_903680	422.883	DWDOCAGDBHLVMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126028
c1(NC(=O)c2cc(Cl)ccc2N(=O)=O)sc2c(CCCCCC2)c1C(=O)OC	CoCoCo_896529,ZINC22_2083610,ChEMBL-DNDi_CHEMBL7228915,SPECS-id_AK-968/12120399,MCULE-5313640680,EMOLS-id_2440370,PC-id_1742505,TIMTEC416712	422.883	QYLMSVNLJVWWLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126029
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_996550,PC-id_1221255,SPECS-id_AK-968/12117352,EMOLS-id_4105817,TIMTEC535896,MCULE-9043428357,CoCoCo_6786349	422.883	WVQBIJXVOMTQAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126030
Clc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_5113559	422.883	XLPGHHQCVMTJFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126031
Clc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_5215689	422.883	HIZJAWNMJLKGHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126032
Clc1c(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc([N+](=O)[O-])cc1	PC-id_4357295	422.883	DVUWXOSTNLYSEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126033
Clc1c(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)C)ccc([N+](=O)[O-])c1	PC-id_16796538	422.883	SCQCUBCHPBGOQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126034
Clc1c(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)C)cc([N+](=O)[O-])cc1	PC-id_16796540	422.883	NTXORZXRHAJUDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126035
Clc1ncccc1C(=O)OCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_3467947	422.883	GWGDDEDOMJEXEY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-126036
Clc1nccc(C(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c1	PC-id_23802764	422.883	FCPOFUSQXMBBFO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-126037
COC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)nc2)sc2c1CCCCC2	PC-id_2386352,ZINC22_3270042,MCULE-4537064539,CoCoCo_2917746	422.883	QTGRZUZNLNPNTB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-126038
c1(NC(=O)CCC(=O)Nc2ccc(c(c2)N(=O)=O)Cl)sc2c(CCCCC2)n1	EMOLS-id_335026850,MCULE-7560600540	422.886	QUBMYYHEXXIIDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126039
c1(NC(=O)CCC(=O)Nc2ccc(cc2N(=O)=O)Cl)sc2c(CCCCC2)n1	MCULE-4616914623,EMOLS-id_335035303	422.886	YHWOMTVJHTXFBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126040
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1C)Cl)c2)Cc1cccc(C)c1	MCULE-1291017179,EMOLS-id_32633092,PC-id_53086377	422.907	PRPQOUCASPDFKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126041
c12C(=O)N(CCCn1nc(C(=O)Nc1c(C)ccc(Cl)c1)c2)Cc1cccc(C)c1	PC-id_53086378,EMOLS-id_32633094,MCULE-5627832754	422.907	VWBXVTUAPKGEQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126042
c12C(=O)N(CCCn1nc(C(=O)Nc1cccc(Cl)c1C)c2)Cc1cccc(C)c1	MCULE-9453431618,EMOLS-id_32633122,PC-id_53034562	422.907	HMQGAFCXHXAYTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126043
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Cl)cc2)sc2c1CCCCCC2	ZINC22_408969945	422.97	XKADUMMDHCIHIZ-WGOQTCKBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126063
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1C)c2)Cc1ccc(cc1)Cl	EMOLS-id_16324848,MCULE-5536981668,CoCoCo_2544654,PC-id_20964818	422.907	DNFVIMJIIWHYPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126044
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)C)c2)Cc1ccc(cc1)Cl	PC-id_20964782,EMOLS-id_16324776,CoCoCo_2544616,MCULE-1110357401	422.907	XOUPNBALZOSSIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126045
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1Cl)c2)Cc1ccc(cc1)C	MCULE-3095583799,EMOLS-id_16324652,PC-id_16028667,CHEMBL1362195,CoCoCo_2544527	422.907	ZFHRZZWSQCAZEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126046
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)Cl)c2)Cc1ccc(cc1)C	PC-id_20964727,CoCoCo_2544528,EMOLS-id_16324654,MCULE-5745385505	422.907	VPUINWBFTQTGIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126047
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)Cl)c2)Cc1cccc(C)c1	MCULE-1098525243,PC-id_53034555,EMOLS-id_32633090	422.907	DWRHWZNDQULABI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126048
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(C)c1)c2)Cc1ccc(cc1)Cl	EMOLS-id_16324786,CoCoCo_2544621,MCULE-5124367915,PC-id_20964787	422.907	BFUWCEITMBVVNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126049
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(Cl)c1)c2)Cc1ccc(cc1)C	EMOLS-id_32632806,MCULE-3466184636,PC-id_53086338	422.907	ZBZTWQBKHKELEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126050
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(Cl)c1)c2)Cc1cccc(C)c1	MCULE-1652630114,EMOLS-id_32633076,PC-id_53086375	422.907	IEEOZJHBRDIEEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126051
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1)c2)Cc1ccc(cc1)Cl	PC-id_20964788,CoCoCo_2544622,EMOLS-id_16324788,MCULE-6765016404	422.907	BIILQMFFIROTSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126052
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1Cl)c2)Cc1ccccc1	PC-id_50798075,EMOLS-id_32846084,MCULE-1212525042	422.907	HLQWVFVODNRRHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126053
C=CC1=C(C=C)CCC(c2n1ccn2)NC(=O)C1(CC1)NC(=O)c1ccc(cc1)Cl	PC-id_144200625	422.907	BOLSBBRWAYLLCW-UHFFFAOYSA-N	00100000100000110111000000000010000000000000000000000000	31-01-126054
Clc1ccc(cc1)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_20964694,CoCoCo_2544486	422.907	FQHXLDZHLYDSBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126055
c1(C(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)Cl)c2CCCCCc2[nH]n1	MCULE-3147757270,ZINC22_170625672,STOCK7S-50788,PC-id_91640808,EMOLS-id_50232406	422.929	HXKTWCXGUUYSEB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126056
Clc1cc([N+](=O)[O-])c(N2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)cc1	PC-id_27084460	422.932	WGAUABIFZPNKOH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126057
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCCCC2)c1C#N	CoCoCo_5138100,MCULE-2660837925,ZINC22_16047955,EMOLS-id_5565182,PC-id_16799522,ChEMBL-DNDi_CHEMBLF2536-0951	422.949	PCLMXWAGYSKCCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126058
Clc1ccc(C(=O)NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_23740999	422.949	WBHKUDHXHGGJGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126059
C/C=c
/c(C)n[nH]/c1=C/CC1CC(Cl)C=c2c(=C1)[nH]c(n2)OC1=CC=C(CC=C1)C	PC-id_143964517	422.95	SUMWCNIULPKXJM-FYAMMUPSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-126060
Clc1ccc(C2NNCC2CN2CCn3c(nnc3Cc3ccccc3)CC2)cc1	PC-id_74559035	422.954	GGPHHGWYVRBAHX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-126061
Clc1sc(CN2CCN(CC2)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_52575291	422.975	CRNXKQOLAURVIU-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-126064
c1(NC(=S)Nc2ccc(cc2)Cl)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC223809,CoCoCo_6800632,ZINC22_6595176,MCULE-9682795642,EMOLS-id_4106048,PC-id_3301611	422.992	IRKMFPAUAZAAHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126065
c1(NC(=S)Nc2cccc(Cl)c2)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4106050,ZINC22_6595179,TIMTEC558934,CoCoCo_6800639,MCULE-2875860102,PC-id_3301618	422.992	XVIMPEJNAGXUPG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126066
Clc1ccc(CCNC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_19649667	422.992	DEQCEXXMCGGPKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126067
Clc1ccc(CNC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_19649376	422.992	RFCXVNOBVHTEDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126068
Clc1cc(CCNC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_19650025	422.992	QRLQUCHOLHITAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126069
Clc1ccc(CNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_19649372	422.992	YFDWEQYZOUKHED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126070
Clc1cc(CNC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_20166228	422.992	YXORLWLMHKIUAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126071
Clc1cc(CNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_20166221	422.992	AXRORLCYMWSELG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126072
Clc1ccc(SCCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_41272293	422.992	AIMMHKJAMMQYPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126073
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1C	PC-id_20411065	422.992	ASBQJHLMKSGXSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126074
Clc1c(c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1)C	PC-id_20411170	422.992	ARSQANBGXCBOQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126075
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(cc1)C	PC-id_20415229	422.992	QRKPYWKPUHINJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126076
Clc1c(CNC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cccc1	PC-id_19650075	422.992	FWSDSIYGTSTRBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126077
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1C	PC-id_20411058	422.992	HMKDASZQEZLPKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126078
Clc1c(c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1)C	PC-id_20411164	422.992	DTNUKSRDMWPLAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126079
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(cc1)C	PC-id_20415222	422.992	YEWNQQSUBIOKNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126080
Clc1c(CNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cccc1	PC-id_19650070	422.992	XVIYVPVKZAJEHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126081
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cccc1	PC-id_20409142	422.992	DIVBYOOIIHXJHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126082
Clc1ccc(cc1)OCCN1CC[NH+](CC1)Cn1nc2n(c1=S)CCCCC2	GD-id_ZINC23325281	422.995	OKJYFMDHPLQPDH-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-126083
COC(=O)c1[nH]c(c2c1CCC(Br)C(CC2)Br)C(=O)OC	PC-id_122480374,SCHEMBL18007268	423.097	JFKAZGSAOMFJIK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-126084
Brc1cc(Cc2c3nc([nH]c3ccnc2=O)C)cc(Br)c1C	PC-id_59488629	423.102	AYBFTICCZDEODO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-126085
Cc1nc2-c(n1)c(Cc1cc(Br)c(c(c1)Br)C)c(=O)[nH]cc2	SCHEMBL7597484	423.102	OQONPKFYUUPXEU-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-126086
CC(C)CC(=O)C1=NN2CCCN(CC2=C1)C(=O)OCC3=CC(=CC(=C3)Cl)Cl	PC-id_161671744	423.112	XCJJIAJRQHHUSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126087
CCC1=CNC2=C(C=C(S2)C(=O)NCC)C(=NC3=CC=C(C=C3)OC(F)(F)F)C1	PC-id_153679495	423.123	NAZIEFQPFPELNV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-126088
CC(C)(CC(CC1=CC2=C(N1)C=CC=CCC2)(C(F)(F)F)O)C3=C(C=CC(=C3)F)O	PC-id_154538952	423.182	IUBLBRAUEMQSLE-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-126089
C=C(C1=CN=C(C=C1NCCF)C(=O)N2CCCOCC2)C3=COC4=CC=CCC=C43	PC-id_153568820	423.196	JCPHDPSBQTZIEY-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-126090
CCC(NC(=O)c1cc2c(s1)CCCCC2)(CBr)CBr	PC-id_107867938	423.206	VVSCHQNJFCPXDM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-126091
CC1CN(CCN1CC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)CC4=CN=CC=C4	EMOLS-id_257843152,MCULE-9526478462,PC-id_154752946	423.209	YBHSARFOMNEOBV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-126092
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3CCSCC3	PC-id_155171331	423.219	BFJYFMXWMMFLLQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-126093
BrCc1c(c2-c(c1C(=O)OC)ccccc2)C(=O)c1oc2c(c1)cccc2	PC-id_11464378	423.256	JLABNAVVIUBTIE-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-126094
N#Cc1c(NC(=O)COC(=O)c2ccc(Br)o2)sc2c1CCCCC2	PC-id_2451057,CoCoCo_2917433,EMOLS-id_3130212,MCULE-6177374337,ZINC22_3334880	423.281	YDEPMSQLAYKHGC-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-126095
CCCCCOC(=O)c1c2-c(c(c1OCC)C(=O)OC)cc(ccc2)Br	PC-id_141346750	423.298	QAYQGDKJBCVNJC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-126096
CCCCCOC(=O)c1c(OC)c(c2-c1cccc(c2)Br)C(=O)OCC	PC-id_141346775	423.298	DIJKKUSBPGQWTR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-126097
CCCCOC(=O)c1c(OCC)c(c2-c1cccc(c2)Br)C(=O)OCC	PC-id_141346758	423.298	CVZSZLHWOKBTSG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-126098
CCCOC(=O)c1c2-c(c(c1OCC)C(=O)OCCC)cccc(c2)Br	PC-id_141346804	423.298	HZMRCHXVCHBQNT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-126099
Brc1cc(F)c(OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_24384030	423.299	HAFRKWORPGODTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126100
Brc1c(OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc(F)c1	PC-id_45721405	423.299	KQOYRNGNBUYFEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126101
Brc1c(OC)cc(C(=O)NCCc2n3CCCCCc3nn2)cc1OC	PC-id_55488155	423.304	HMKGUUGXKODYCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126102
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc(Cl)c1	PC-id_4680326	423.313	JMQNSARRELCPLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126103
Clc1c(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cccc1Cl	PC-id_41784761	423.313	OXYMRBYWZSFRQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126104
Clc1c(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc(Cl)c1	PC-id_41634646	423.313	HZGVKGCBWWYYSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126105
N#Cc1c(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCC2	CoCoCo_2921718,EMOLS-id_3101719,ZINC22_3320799,MCULE-8991290667,PC-id_2436446	423.313	WDAKBSONSVUXGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126106
N#Cc1c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)sc2c1CCCCC2	EMOLS-id_3095390,ZINC22_3313101,MCULE-3914420631,PC-id_2428901,CoCoCo_2921879	423.313	FGTHFHLRKDDBFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126107
O=C(CCc1ccc(cc1F)Br)NCCCc1nnc2n1CCCCC2	PC-id_86884586	423.322	OEAWABCSWSMIQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126108
Brc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc(OC)cc1	PC-id_60388223	423.324	XSWCYJUWHSKZPJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126109
Brc1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc(OC)cc1	PC-id_55349086	423.324	KLFTXKPUASNBRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126110
c1(NC(=O)c2ccc(c(Br)c2)OC)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_1772808,PC-id_1307943,ChEMBL-DNDi_CHEMBL7722256,MCULE-9804361861,ZINC22_1133306,CoCoCo_970777	423.324	NCPVPUGZQBRIPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126111
COc1ccc(Br)cc1C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_32125246,PC-id_20166071	423.324	GFNJDOIPXCSXML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126112
NC(=O)c1c(NC(=O)COc2ccc(Br)cc2)sc2c1CCCCC2	PC-id_20166081,ZINC22_32125346	423.324	NHLSWGXOBKUAJX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126113
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90625367	423.333	DQOPUNSEWVKSCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126114
O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_45888746,EMOLS-id_29629479,CoCoCo_4886659,MCULE-6456961910,ZINC22_40096699	423.339	YYTFYDWKJJNYRK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126115
CCOc1c(Br)cc(CNCCc2nnc3n2CCCCC3)cc1OC	PC-id_47081084,ZINC22_48355321,MCULE-6297113152	423.347	WWVCBJFXFCTJBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126116
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1n[nH]c(n1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14965739,PC-id_89580137	423.349	ALPCOPPAIQSHPK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126117
Brc1ccc(s1)c1cc([nH]n1)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_323271110,MCULE-1404336211	423.35	XFOJPNDQHUWZAL-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-126118
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C#N	CoCoCo_5824286,ZINC22_2752908,EMOLS-id_4106302,SPECS-id_AK-968/15253233,TIMTEC513408,MCULE-1024497185,PC-id_4148471	423.356	VWKVLLIDQZWVEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126119
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C#N	EMOLS-id_1094764,SPECS-id_AK-968/12162050,PC-id_3459919,TIMTEC493054,MCULE-4938949304	423.356	UZQZPNPAQCQYCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126120
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCCC2	PC-id_1742580,ZINC22_2083692,CoCoCo_5817737	423.356	UZQZPNPAQCQYCH-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126121
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCCCC2	ZINC22_2083693,PC-id_1742581,CoCoCo_5817738	423.356	UZQZPNPAQCQYCH-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126122
Clc1cc(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)ccc1Cl	PC-id_4061895	423.356	MZTHWUGYRJRXGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126123
Clc1cc(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)ccc1Cl	PC-id_6000685	423.356	MZTHWUGYRJRXGZ-CSKARUKUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126124
Clc1c(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)ccc(Cl)c1	PC-id_3506317	423.356	NPYJIFNHRLPGLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126125
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)ccc(Cl)c1	PC-id_5846151	423.356	NPYJIFNHRLPGLE-CSKARUKUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126126
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)c(Cl)ccc1	GD-id_ZINC13957055,PC-id_6115788	423.356	JUZFZBUBBQEXCX-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126127
Clc1c(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)c(Cl)ccc1	PC-id_4459978	423.356	JUZFZBUBBQEXCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126128
O=C(c1n(C)cc2c1CCC(NS2(=O)=O)C(F)(F)F)Nc1ccc(c(c1)F)F	SCHEMBL18353359	423.358	CSHBOVMDVIXTCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126129
NCc1c(NC(=O)COc2ccc(c(c2)C)Br)sc2c1CCCCC2	PC-id_143287584	423.367	UYJVDJOGIXVIND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126130
Brc1ccc(SCCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_60566878	423.37	YCFQMIKULBLHSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126131
Brc1cc(c(SCC(=O)NCCc2n3CCCCCc3nn2)cc1)C	PC-id_60360886	423.37	BFSMQCABFCHUMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126132
Clc1c(C2(O)CCN(CC2)CCCc2n3CCCCCc3nn2)cccc1Cl	SCHEMBL7959533,PC-id_59939426	423.379	WOZSVCHDZGCPND-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126133
CCNC(=NCc1ccc(cc1Cl)Cl)NCCCc1nnc2n1CCCCC2	PC-id_111197800	423.383	GLBNSWXGFHSTDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126134
CCNC(=NCc1nnc2n1CCCCC2)NCCCc1ccc(cc1Cl)Cl	PC-id_111720544	423.383	MNRXGWMRXCWAOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126135
CN=C(N(Cc1ccc(c(c1)Cl)Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111306443	423.383	WNTXRRJFOPLENO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126136
CN=C(NC(c1ccc(cc1Cl)Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111310702	423.383	GALFOJWUVBSDDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126137
CN=C(NC(c1ccc(c(c1)Cl)Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111321942	423.383	VJGCNXAKDMYAJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126138
CN=C(NCCc1nnc2n1CCCCC2)NCCCc1ccc(cc1Cl)Cl	PC-id_111720309	423.383	JVXRAXHMRSGHPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126139
O=C1[C@H](CCn2c(N1C)ccn2)NC(=O)c1ncc2c(c1)C(C)(OC2)CC(F)(F)F	SCHEMBL18366238	423.389	XPBUWICGCDERNA-FVRDMJKUSA-N	00000010100000100101000000001010000000000000000000000000	31-01-126140
C1Cn2cc(nc2OCCN1Cc1cccc(c1)c1ccc(cc1)NC(=O)O)[N+](=O)[O-]	PC-id_89580387,SCHEMBL14966082	423.422	XRVNSOBONSRKHB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126141
FC(F)(F)CNCCCOc1cc(NC(=O)c2c3c([nH]c2)CCCCC3=O)ccc1	SCHEMBL6093992,PC-id_21953136	423.429	FSWRUQVUHVRLNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126142
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1	PC-id_29377072	423.43	KRRNSRFYKMMGKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126143
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc(F)cc(F)c1)C(=O)OC	PC-id_3968890	423.43	VJTNGJGTVJTPDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126144
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3ccc(cc3)OC(F)(F)F)CCn12	MCULE-4233242531,ChEMBL-DNDi_CHEMBL17512186,PC-id_45179855,EMOLS-id_20440659	423.432	LTJLIYUOONYTSQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126145
C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2	CoCoCo_1187576,CoCoCo_1187575,PC-id_42461753,ZINC22_12204074	423.432	LTJLIYUOONYTSQ-CYBMUJFWSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126146
C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2	CoCoCo_1187577,PC-id_42461760,ZINC22_12204080,CoCoCo_1187578	423.432	LTJLIYUOONYTSQ-ZDUSSCGKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126147
FC(F)(F)c1cccc(CN2CCc3nnc(CNC(=O)C4CCOC4)n3CC2)c1	PC-id_45169001,EMOLS-id_20393860,ChEMBL-DNDi_CHEMBL10812909,MCULE-2771893557	423.432	DFZBCXRBNVLUHZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126148
FC(F)(F)c1ccc(CN2CCc3nnc(CNC(=O)C4CCOC4)n3CC2)cc1	EMOLS-id_20410378,MCULE-4812692677,ChEMBL-DNDi_CHEMBL13048881,PC-id_45172830	423.432	DSDKNJQIJRGLTF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126149
FC(F)(F)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(N2CCCC2)cc1	PC-id_55560253	423.432	HVBMQIFBIAPACN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-126150
O=C1CCCN1CC(c1cccc(c1)C(F)(F)F)NCc1nnc2n1CCOCC2	EMOLS-id_320297166,MCULE-8544813862	423.432	SQZHNGAYBHDNIV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126151
O=C1CCCN1C[C@H](NCc1nnc2n1CCOCC2)c1cccc(C(F)(F)F)c1	ZINC22_1614994855	423.432	SQZHNGAYBHDNIV-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126152
O=C1CCCN1C[C@@H](NCc1nnc2n1CCOCC2)c1cccc(C(F)(F)F)c1	ZINC22_1614994862	423.432	SQZHNGAYBHDNIV-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126153
O=C(NCc1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2)[C@@H]1CCOC1	CoCoCo_1123611,CoCoCo_1123613,ZINC22_23128902	423.432	DFZBCXRBNVLUHZ-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126154
O=C(NCc1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2)[C@H]1CCOC1	ZINC22_23128903,CoCoCo_1123612,CoCoCo_1123610	423.432	DFZBCXRBNVLUHZ-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126155
O=C(NCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2)[C@H]1CCOC1	CoCoCo_1145492,CoCoCo_1145494,ZINC22_19740422	423.432	DSDKNJQIJRGLTF-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126156
O=C(NCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2)[C@@H]1CCOC1	CoCoCo_1145495,ZINC22_19740420,CoCoCo_1145493	423.432	DSDKNJQIJRGLTF-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126157
COC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(CCC2)Cc1ccc(cc1)F	SCHEMBL4201415,PC-id_68953317	423.437	ORLWVONCOZWHOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126158
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNc1ccc(cc1)F)CC(=O)O	PC-id_134810909	423.44	WELPIBYOTOZNOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126159
Fc1cc(NC(=O)c2cc(NC(=O)Cn3nc4n(CCCCC4)c3=O)ccc2)ccc1	PC-id_55887716	423.44	AELZYIBXSPZEJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126160
O=C(c1nc2n(n1)[C@H](CC2)Cc1ccccc1F)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL19659863	423.443	QEGRNQNGRNITAC-ZBFHGGJFSA-N	00000010100000110101000010000010000000000000000000000000	31-01-126161
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2cccc(c2)C(F)(F)F)C1	MCULE-5976786895,EMOLS-id_323369145	423.452	AVMDTXVQMGAAEP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-126162
O1C(C(O)C(O)C(O)C1CO)c1c(ccc(c1)Cc1cc2-c(c1)ccccc2)C(=O)N	PC-id_72423678	423.458	PYVQLESZKAMELX-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126163
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(ccc(c1)Cc1cc2-c(c1)ccccc2)C(=O)N	PC-id_58786192,SCHEMBL14590154	423.458	PYVQLESZKAMELX-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-126164
OC(C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C)C1CC1	PC-id_140762774	423.458	ISNALSZDPNGXES-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126165
OC([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C)F)C)C1CC1	SCHEMBL18353490	423.458	ISNALSZDPNGXES-XPCCGILXSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126166
o1c(=O)c(C(c2c3-c(oc2=O)ccccc3)c2ccc(N(C)C)cc2)c2-c1ccccc2	PC-id_10645946	423.46	VGKYRUUABUDIQW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-126167
[O-][N+](=O)c1cn2c(n1)OC(CCC2)(C)COCc1ccc(cc1)OCc1ccccc1	PC-id_144131298	423.462	SECAISMOHYLQAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126168
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1oc(S(=O)(=O)N)cc1)C#N	PC-id_55644061	423.463	FZSRQSWETPZGKP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-126169
COc1ccc(NC(=O)C2CCc3nn(Cc4ccncc4)c(=O)n3CC2)c(OC)c1	EMOLS-id_207877101,MCULE-3793464483	423.465	UMLJMBMGLCFXCT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-126170
COC(=O)c1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1	ZINC22_19743705,MCULE-2397426530,PC-id_28311971,EMOLS-id_20420103,CoCoCo_1158945,CoCoCo_1158946	423.465	FRDQCGBKUYGKBM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126171
COC(=O)c1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1	ZINC22_20598706,MCULE-3251058686,CoCoCo_1255514,PC-id_29085016,CoCoCo_1255513,EMOLS-id_20489069	423.465	AXBNJCWYCSCNKG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126172
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(Oc2c(OC)cc(cc2)C)nc1	PC-id_55677438	423.465	YNXXVTYPSWEWHI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-126173
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(OCc2cccnc2)c(OC)cc1	PC-id_55671885	423.465	GLCAJYQKMNRJDZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-126174
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(OCc2ccncc2)c(OC)cc1	PC-id_55671866	423.465	ADISRNJRYRRKQD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-126175
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(ccc1)C(=O)NCc1occc1	PC-id_55868286	423.465	USXANMYBCGJJFG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126176
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(Oc2cc(OC)ccc2)nc1	PC-id_55800982	423.465	DAHCCVJQOMJZGT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-126177
CCC1c2nnc(o2)NC(=O)NC(=O)CNC(=O)[C@@H](NC(=O)CN1CC)CC(C)C	PC-id_137084515,SCHEMBL18652878	423.467	AYJCZRAVQBCFPX-PXYINDEMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126178
CCCN(Cc1nnc(o1)c1ccco1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135707694	423.468	HNEVVVWAAVPVNE-NXVVXOECSA-N	00000000101000000101100000000010000000000000000000000000	31-01-126179
CC(Oc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1)C	SCHEMBL18366763	423.468	QINOAVGPPQJAKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126180
Cn1nc(c(c1)C(=O)NCCCc1nnc2n1CCCCC2)c1ccc(cc1)[N+](=O)[O-]	PC-id_86884580	423.468	SYAHXLYNKRWFQV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126181
COCCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL19641510	423.468	XIWIFHGMJMQWHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126182
COCCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367428	423.468	XIWIFHGMJMQWHT-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126183
COCCc1nn2c(c1)N(C)C(=O)[C@@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367431	423.468	XIWIFHGMJMQWHT-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126184
O=C1C(CCn2c(N1C)cc(n2)C(O)(C)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366668	423.468	IPWAASWBRWURIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126185
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(NC(=O)Cn2nccc2)ccc1	PC-id_55953657	423.468	QDVSGOPGTUMLKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126186
O=C(C(=C1N2CCCCCC2=NN1)C#N)CN(CCC)Cc1oc(nn1)c1occc1	PC-id_78754448	423.468	XSWNDHQULFOLAG-UHFFFAOYSA-N	00000011101000000111100000000010000000000000000000000000	31-01-126187
O=C(/C(=C
/N2CCCCCC2=NN1)/C#N)CN(CCC)Cc1oc(nn1)c1occc1	PC-id_8689397	423.468	XSWNDHQULFOLAG-HMMYKYKNSA-N	00000011101000000111100000000010000000000000000000000000	31-01-126188
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(cc3)C(F)(F)F)CCn12	EMOLS-id_20611043,MCULE-3537263218,PC-id_45219193	423.475	MOJABNPCIKVSHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126189
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2	CoCoCo_1434772,CoCoCo_1434771,ZINC22_14955636	423.475	MOJABNPCIKVSHX-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126190
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2	CoCoCo_1434774,ZINC22_14955640,CoCoCo_1434773	423.475	MOJABNPCIKVSHX-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126191
CC1CCC/C=CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18352918	423.477	NLNPIQHEKPRUPF-XQRVVYSFSA-N	00000000100000110111000000000010000000000000000000000000	31-01-126192
CC1CCC/C=C/Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18352920	423.477	NLNPIQHEKPRUPF-GQCTYLIASA-N	00000000100000110111000000000010000000000000000000000000	31-01-126193
c1(NC(=S)Nc2ccc(cc2N(=O)=O)F)sc2c(CCCCC2)c1C(=O)OC	MCULE-5011592658,CHEBI:115668,ChEMBL-DNDi_CHEMBL1545233,CoCoCo_989806,EMOLS-id_2469006,CHEMBL1545233,ZINC22_13153231,TIMTEC606635,PC-id_2954530	423.482	ZWPGINLNSOSFIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126194
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])ccc1F)C(=O)OC	PC-id_20413176	423.482	ZFXRNJMEWCKBKS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126195
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])c(F)cc1)C(=O)OC	PC-id_20411738	423.482	HPGOFTFQOLORHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126196
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(cc3)F)CCn12	MCULE-8914791125,EMOLS-id_20502051,PC-id_45194001	423.483	SWIBBGLRJSUUJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126197
C/C(=C/c1ccco1)/CN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccc(cc1)F	CoCoCo_1323592,CoCoCo_1323590	423.483	SVIWNBCXNWNAGW-ICFOKQHNSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126198
C/C(=Cc1ccco1)/CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1	CoCoCo_1323593,PC-id_42434012,EMOLS-id_44852493,CoCoCo_1323591,ZINC22_64074496	423.483	SVIWNBCXNWNAGW-BMRADRMJSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126199
C/C(=Cc1ccco1)/CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1	CoCoCo_1526310,ZINC22_59314206,EMOLS-id_44854177,CoCoCo_1526312,PC-id_25290097	423.483	NZRFJEKSCXNTNK-SFQUDFHCSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126200
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1)CC2	CoCoCo_1360968,CoCoCo_1360969,ZINC22_12281687	423.483	GRPNJVCIBWRNRW-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126201
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1)CC2	ZINC22_12281686,CoCoCo_1360966,CoCoCo_1360967	423.483	GRPNJVCIBWRNRW-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126202
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2	CoCoCo_1361641,CoCoCo_1361640,ZINC22_12281833,PC-id_42501153	423.483	MZOJOYDOUJREQM-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126203
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2	CoCoCo_1361643,ZINC22_12281835,CoCoCo_1361642,PC-id_42501155	423.483	MZOJOYDOUJREQM-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126204
CCN(Cc1ccncc1)C(=O)C1CCCCc2nn(Cc3cccc(F)c3)c(=O)n12	MCULE-3146470100,EMOLS-id_207869481	423.483	LKLDOOXXWCAACG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-126205
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3cccc(F)c3)CCn12	PC-id_45207613,MCULE-4532972303,EMOLS-id_20561741	423.483	GRPNJVCIBWRNRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126206
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccc(F)cc3)CCn12	PC-id_45207718,ChEMBL-DNDi_CHEMBL41190985,EMOLS-id_20562179,MCULE-1898746687	423.483	MZOJOYDOUJREQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126207
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cccc(F)c3)CCn12	CoCoCo_1343588,ZINC22_12191733,EMOLS-id_20550003,MCULE-5159914209,PC-id_42452835,CoCoCo_1343587	423.483	CVKKKVZVQYJWCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126208
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(F)cc2)CC3)c1	CoCoCo_1274441,ZINC22_11996364,CoCoCo_1274440	423.483	SWIBBGLRJSUUJA-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126209
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(F)cc2)CC3)c1	ZINC22_11996363,CoCoCo_1274443,CoCoCo_1274442	423.483	SWIBBGLRJSUUJA-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126210
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1	MCULE-6056603698,ZINC22_14887409,PC-id_26281482,CoCoCo_1213903,CoCoCo_1213902,EMOLS-id_20459841	423.483	SSOHMWBFLAGTGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126211
COc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1	EMOLS-id_20587395,MCULE-2127486171,CoCoCo_1399391,PC-id_26352696,ZINC22_14996964,CoCoCo_1399392	423.483	XQUNBVZTNBWLIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126212
COc1ccc(F)c(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1	EMOLS-id_20440689,MCULE-8714902359,CoCoCo_1187634,CoCoCo_1187633,ZINC22_19839814,PC-id_28393809	423.483	LUTFHWGCLKUXSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126213
Fc1ccccc1CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1	PC-id_42162273,CoCoCo_1218734,ZINC22_11782333,CoCoCo_1218733,EMOLS-id_20463271,MCULE-7549663686	423.483	RTYXCAHMXDVRGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126214
Fc1cccc(c1)Cn1nc2n(c1=O)C(CCCC2)C(=O)N(CCc1ccccn1)C	PC-id_146048532,EMOLS-id_207869523,MCULE-4795295802	423.483	WQXFRRUNMKCDDB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-126215
Fc1cccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1	MCULE-6610113369,PC-id_42366832,CoCoCo_1173295,ZINC22_12035560,EMOLS-id_20430497,CoCoCo_1173296	423.483	IGSRBSHVGCYBRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126216
Fc1cc(COc2cc(NC(=O)NCCc3n4CCCCCc4nn3)ccc2)ccc1	PC-id_60491439	423.483	YSOSWYBYWCCKFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126217
n12CCN(CCc1nnc2CCNC(=O)c1ccc(cc1)F)CC(=Cc1ccco1)C	MCULE-5761475893,PC-id_74803120	423.483	SVIWNBCXNWNAGW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126218
n12CCN(CCc1nnc2CNC(=O)Cc1cccc(F)c1)CC(=Cc1ccco1)C	PC-id_74416508,MCULE-2279593261	423.483	NZRFJEKSCXNTNK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126219
O=C(Cc1cccc(c1)F)NCc1nnc2n1CCN(CC2)C/C(=Cc1ccco1)/C	CoCoCo_1526311,CoCoCo_1526309	423.483	NZRFJEKSCXNTNK-ATVHPVEESA-N	00000000101000110101000000000010000000000000000000000000	31-01-126220
C1CCc2c(CC1)sc(c2C(=O)Nc1ccccn1)NC(=O)c1cc(c(cc1)O)O	PC-id_91799318	423.485	PDOGCOJBTYLVHY-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-126221
COc1ccc(cc1)CN1CCCN(c2c1scc2)C(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_139710009	423.485	IYLIHAPXRCDAGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126222
COc1cc(ccc1[N+](=O)[O-])C(=O)N1CCCN(c2c1ccs2)Cc1ccccc1	PC-id_139709943	423.485	QJSAXSRTGIYCHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126223
COC(=O)c1c(NC(=O)c2ccc(=O)n(c3ccccc3)n2)sc2c1CCCCC2	MCULE-8676176232,PC-id_52638580,EMOLS-id_48773713,ZINC22_59253539	423.485	YELOWJUIPFPILO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126224
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)c2occc2)cc1	PC-id_24488091	423.485	OSRDANZHLGMAIC-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-126225
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)c2occc2)ccc1	PC-id_52671671	423.485	XXPLQBVMYGJTTG-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-126226
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cc1noc2c1cccc2)C)C#N	PC-id_55424822	423.485	KSHHZMNJUFVFQF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-126227
S(=O)(=O)(Nc1c(OC)cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)CC	PC-id_55956144	423.487	PPGPRBNNVHGFBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126228
COc1cccc(c1)CNC(=O)c1nc2c(s1)CCN(CC2)C(=O)c1ccncn1	PC-id_97442472	423.488	HPLPROTYDATCSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126229
COc1cccc(c1)NC(=O)c1nc2c(s1)CCN(CC2)C(=O)c1cnc(cn1)C	PC-id_97524656	423.488	ZWXSBGVNWOXOMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126230
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)c2ccncn2)cc1	PC-id_97524682,ZINC22_96264749,EMOLS-id_44379330	423.488	OTOYKUQYNPLENL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126231
O(c1cc(C[NH+]2CCn3c(nnc3CNC(=O)c3ccncc3)CC2)ccc1OC)C	PC-id_42166548	423.488	OCXGRUTVVZMFGP-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-126232
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(NC(=O)C)cc1)C)c1occc1	PC-id_74496316	423.488	LDFSSUVGKDCHEX-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126233
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(NC(=O)C)cc1)C)c1occc1	PC-id_26322857	423.488	LDFSSUVGKDCHEX-OAHLLOKOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126234
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(NC(=O)C)cc1)C)c1occc1	PC-id_26322860	423.488	LDFSSUVGKDCHEX-HNNXBMFYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126235
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc2nnn(c2cc1)CC)C#N	PC-id_41697065	423.488	RIUMYYAJGCABPL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-126236
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cn2c(nnc2C)cc1)C)C#N	PC-id_56407383	423.488	NPMAVJVWXQZHPU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-126237
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)c1ncc(cc1)C(F)(F)F	PC-id_45734827	423.495	IZDKOFPVEJORQU-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-126238
c1(NC(=S)NC(=O)c2ccc(c(F)c2)F)sc2c(CCCCCC2)c1C(=O)N	TIMTEC220287,MCULE-1887096984,PC-id_1932967,ZINC22_2316369,CoCoCo_1740202,STOCK2S-75265,EMOLS-id_4457039	423.5	INMZJNKKPBEYAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126239
CCNc1ccc(cc1[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1cc2-c(c1)ccccc2	SCHEMBL14590148,PC-id_58786114	423.501	XKTUNVIONCYHLZ-RXFVIIJJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126240
CNCc1ccc(cc1[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1cc2-c(c1)ccccc2	PC-id_58786219,SCHEMBL14590145	423.501	FKOGDGISZJLFEZ-RXFVIIJJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126241
N=C/C(=CNC1CC1)/C1=C(/C=C/NC2=CC=c3c(=CC2)n(cc3)CC(F)F)C=NCC1	SCHEMBL19241615	423.501	MQLFKGAGKWEDKM-ZGUQQVGSSA-N	00100000100011000110000000000010000000000000000000000000	31-01-126242
O1C(C(O)C(O)C(O)C1CO)c1c(CNC)ccc(c1)Cc1cc2-c(c1)ccccc2	PC-id_72423703	423.501	FKOGDGISZJLFEZ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126243
O1C(C(O)C(O)C(O)C1CO)c1c(NCC)ccc(c1)Cc1cc2-c(c1)ccccc2	PC-id_72423608	423.501	XKTUNVIONCYHLZ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126244
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(F)cc1)C(=O)Nc1ncccc1	PC-id_76328464	423.503	MFQXLFJIGRJECL-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-126245
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1cc(cc(c1C)C)[N+](=O)[O-]	EMOLS-id_16706371,PC-id_25556610,CoCoCo_4261197,MCULE-9234197499	423.506	FPYICQAVXSYROZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126246
s1c2CCCCCc2cc1C(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1	PC-id_56140185	423.506	QLIHZZBCIBLVIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126247
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NOC)cc1	PC-id_52604115	423.506	VVYGMQKMORICPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126248
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N)ccc1OC	PC-id_34035662	423.506	AQGHVTNOVWKYDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126249
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[nH]c(=O)cc(O)n1)C(=O)OC	PC-id_24084297	423.506	YRWSUJSXPHXIGT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-126250
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[nH]c(=O)cc(O)n1)C)C(=O)OC	PC-id_23858715	423.506	WPTFNIPPOYVWBK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-126251
s1c2c(CCCCC2)c(c1NC(=O)CSc1[nH]c(=O)cc(O)n1)C(=O)OCC	PC-id_17307811	423.506	VTIFLMDQJYTYQR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-126252
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)CN1C(=O)CCC1=O)C(=O)OC	PC-id_23964277	423.506	AHFPTUWCECQKHT-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-126253
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(cccc1[N+](=O)[O-])C	PC-id_52698913	423.506	RTYXOLPIQRGKDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126254
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(ccc([N+](=O)[O-])c1)C	PC-id_24421454	423.506	QYASDOMHLDCBMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126255
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(c([N+](=O)[O-])ccc1)C	PC-id_38772081	423.506	VMTVGVSSJWSZGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126256
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[nH]c(=O)cc(O)n1)C(=O)OC	PC-id_19643987	423.506	SCCCLUOFTQSLBV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-126257
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3ccccc3O)CCn12	MCULE-9044856065,EMOLS-id_20423477,ChEMBL-DNDi_CHEMBL14899477,PC-id_45175864	423.508	FLMVCIGUARIARS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126258
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccc(cc3)OC)CCn12	PC-id_45169351,MCULE-1152710564,ChEMBL-DNDi_CHEMBL11015871,EMOLS-id_20395416	423.508	BAULIWOJTBKPNW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126259
c1(C(C)NC(=O)c2ccoc2C)nnc2CCN(Cc3ccc(cc3)OCC)CCn12	ChEMBL-DNDi_CHEMBL14793743,EMOLS-id_20422749,MCULE-7769444985,PC-id_45175673	423.508	ZNHDCOVQXPGFBY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126260
c1(C(C)NC(=O)c2ccoc2C)nnc2CCN(Cc3ccc(c(C)c3)OC)CCn12	MCULE-6401484356,EMOLS-id_20428605,ChEMBL-DNDi_CHEMBL15660048,PC-id_45177057	423.508	QLMKDKXDGMKREY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126261
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3ccc(cc3)OCC)CCn12	CoCoCo_1459548,PC-id_26326965,MCULE-6482794064,ZINC22_14968307,CoCoCo_1459547,EMOLS-id_20627571	423.508	BWNIKQJXUXFEPP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126262
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3ccccc3OCC)CCn12	EMOLS-id_20620201,PC-id_26323408,CoCoCo_1448450,ZINC22_14962599,MCULE-2231632168,CoCoCo_1448451	423.508	RMEKNBIXAXUILE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126263
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3ccc(c(C)c3)OC)CCn12	EMOLS-id_20594499,ChEMBL-DNDi_CHEMBL49169527,CoCoCo_1409938,MCULE-6549999248,ZINC22_19227462,CoCoCo_1409939,PC-id_28100305	423.508	AGAAGNAKTOPIEP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126264
C1(CNC(=O)C(C)NC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)CC1	MCULE-6813373018,PC-id_46049723,EMOLS-id_25388058	423.508	DRMJTRVNDDECOW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126265
C1(CNC(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)CC1	MCULE-8538064338,EMOLS-id_25388450,PC-id_46049735	423.508	KEBWVHUHGIQBIV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126266
c1(C(=O)NCCNC(=O)C2CC(=O)N(Cc3ccccc3)C2)c2CCCCCc2[nH]n1	MCULE-6281770058,EMOLS-id_323253178	423.508	STZZGDSJFHGEEP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126267
C1N(CCC1)C(=O)CN(C)C(=O)c1cc2n(n1)CCCN(Cc1ccc(cc1)C)C2=O	MCULE-7645711297,EMOLS-id_25387626,PC-id_46049678	423.508	LKJSBZYKUDNWOE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126268
C1N(CCC1)C(=O)CN(C)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O	MCULE-9523551675,PC-id_46049738,EMOLS-id_25387662	423.508	AGVPDABTLJGAHR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126269
Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCCC(=O)N1CCCC1	PC-id_46049759,EMOLS-id_25388470,MCULE-9369351647	423.508	GGWVYULOSPKLLU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126270
O=C(N1CCCCC1)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C	PC-id_42854994	423.508	FFQRMKMNMCUVBW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126325
Cc1noc(C)c1Cn1nc2CCC(CCn2c1=O)C(=O)NCc1cc(C)ccc1C	EMOLS-id_207876797,MCULE-6280053382	423.508	MAMWFWBGQLYKQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126271
CCc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(OC)cc4)n3CC2)o1	MCULE-9056281744,EMOLS-id_20626341,CoCoCo_1457665,PC-id_26326261,ZINC22_14967167,CoCoCo_1457666	423.508	JTAFZEAWMCUIIY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126272
CCc1ccc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)o1	EMOLS-id_20475145,PC-id_45187828,MCULE-3512068759	423.508	KUVDLXPMZVONHX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126273
CCc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)o1	MCULE-7352495457,ZINC22_15001546,PC-id_26357378,CoCoCo_1408065,CoCoCo_1408064,EMOLS-id_20593239	423.508	ZPFALSXNKUKEAE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126274
CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)o1	CoCoCo_1235796,CoCoCo_1235797,PC-id_28955309,ZINC22_20451971	423.508	KUVDLXPMZVONHX-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126275
CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)o1	PC-id_28955308,ZINC22_20451969,CoCoCo_1235795,CoCoCo_1235794	423.508	KUVDLXPMZVONHX-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126276
CC(C)C[C@H](C(=O)NCCc1nnc2n1CCCCC2)N1C(=O)c2ccccc2C1=O	CoCoCo_4472995,PC-id_40106463,ZINC22_32872046	423.508	IJYKVQVTCQWABG-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-126277
CC(C)C[C@@H](C(=O)NCCc1nnc2n1CCCCC2)N1C(=O)c2ccccc2C1=O	CoCoCo_4472996,ZINC22_32872044,PC-id_40106461	423.508	IJYKVQVTCQWABG-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-126278
CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccccc1O)CC2	CoCoCo_1163425,ZINC22_12184819,PC-id_42449613,CoCoCo_1163424	423.508	FLMVCIGUARIARS-GOSISDBHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126279
CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccccc1O)CC2	CoCoCo_1163427,PC-id_42449615,CoCoCo_1163426,ZINC22_12184822	423.508	FLMVCIGUARIARS-SFHVURJKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126280
CCCCN1CCN(C(C(=O)N2CCCn3cncc3C2)c2ccccc2)C(=O)C1=O	PC-id_70708861,MCULE-1565653226,EMOLS-id_43556801	423.508	HOHXHGJGWGTBJO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126281
CCCCN1CCN([C@H](C(=O)N2CCCn3cncc3C2)c2ccccc2)C(=O)C1=O	ZINC22_77298157,PC-id_96362871	423.508	HOHXHGJGWGTBJO-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126282
CCCCN1CCN([C@@H](C(=O)N2CCCn3cncc3C2)c2ccccc2)C(=O)C1=O	ZINC22_77298160,PC-id_96362874	423.508	HOHXHGJGWGTBJO-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126283
CC(CC(N1C(=O)c2c(C1=O)cccc2)C(=O)NCCc1nnc2n1CCCCC2)C	MCULE-1352762709,PC-id_42897755,EMOLS-id_24954573	423.508	IJYKVQVTCQWABG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-126284
CC(C(C(=O)NC1CC1)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	EMOLS-id_25388540,MCULE-6349849450,PC-id_46049891	423.508	WTXVEWYEEYYPJF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126285
CC([C@@H](C(=O)NC1CC1)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332566	423.508	WTXVEWYEEYYPJF-FQEVSTJZSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126286
CC([C@H](C(=O)NC1CC1)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332567	423.508	WTXVEWYEEYYPJF-HXUWFJFHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126287
CC(C)Oc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1	EMOLS-id_20594113,MCULE-1381034631,CoCoCo_1409377,ZINC22_15002157,PC-id_26357990,CoCoCo_1409376	423.508	IRAQHQBGIFZJQE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126288
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(CO)o1)CC2	ZINC22_20997006	423.508	CBWBYFGFHDOTTN-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126289
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(CO)o1)CC2	ZINC22_20997008	423.508	CBWBYFGFHDOTTN-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126290
CCNC(=O)C1CCCCN1C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049466,MCULE-6599016833,EMOLS-id_25387498	423.508	GVUWZFJJFFYKJO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126291
CCNC(=O)C1CCN(CC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-5732587571,PC-id_46049480,EMOLS-id_25386830	423.508	YPXWSJOYTQURMG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126292
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccc(CO)o3)CCn12	MCULE-7771046896,EMOLS-id_232739540,PC-id_45205728	423.508	CBWBYFGFHDOTTN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126293
CCNC(=O)CCN(C1CC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-4515175948,EMOLS-id_25387458,PC-id_46049954	423.508	JNJZPTVINOLVKR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126294
CCNC(=O)[C@@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_93332336	423.508	GVUWZFJJFFYKJO-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-126295
CCNC(=O)[C@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_93332337	423.508	GVUWZFJJFFYKJO-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126296
CCOc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc1	CoCoCo_1162420,CoCoCo_1162419,ZINC22_19744607,PC-id_28312585	423.508	ZNHDCOVQXPGFBY-MRXNPFEDSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126297
CCOc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)cc1	PC-id_28312586,ZINC22_19744609,CoCoCo_1162422,CoCoCo_1162421	423.508	ZNHDCOVQXPGFBY-INIZCTEOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126298
COc1ccc(cc1)c1cnc(o1)CCC(=O)NCCCc1nnc2n1CCCCC2	PC-id_86884588	423.508	MYWQKKHDNIPWJA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126299
COc1ccc(c(c1C)C)CN1CCc2n(CC1)c(nn2)C(NC(=O)c1ccco1)C	ChEMBL-DNDi_CHEMBL20554610,PC-id_45166058	423.508	NKANJIMRJVWACU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126300
COc1cc(C)c(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1C	ZINC22_20996989,CoCoCo_1348936,ChEMBL-DNDi_CHEMBL39196287,PC-id_29256907,CoCoCo_1348935,MCULE-7041923381,EMOLS-id_20553633	423.508	LMSYKYOGOYMSSI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126301
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c(C)c1C	ZINC22_14882609,MCULE-1775741988,PC-id_26278468,EMOLS-id_20452971,CoCoCo_1204395,CoCoCo_1204396	423.508	OSCBTMHRLVXGKS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126302
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc1C	PC-id_28389074,CoCoCo_1170701,CoCoCo_1170700,ZINC22_19835902	423.508	QLMKDKXDGMKREY-MRXNPFEDSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126303
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)cc1C	PC-id_28389076,CoCoCo_1170702,ZINC22_19835904,CoCoCo_1170703	423.508	QLMKDKXDGMKREY-INIZCTEOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126304
COc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	CoCoCo_1125660,CoCoCo_1125659,ZINC22_11881448	423.508	BAULIWOJTBKPNW-OAQYLSRUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126305
COc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	CoCoCo_1125661,CoCoCo_1125662,ZINC22_11881447	423.508	BAULIWOJTBKPNW-NRFANRHFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126306
COCc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)o1	CoCoCo_1227194,PC-id_28953787,CoCoCo_1227195,MCULE-3666351541,EMOLS-id_20469111,ZINC22_20449730	423.508	VWSAAAAKZHJLDM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126307
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cc(C)ccc2C)CC3)o1	MCULE-5586915294,CoCoCo_1312457,EMOLS-id_20528479,CoCoCo_1312458,ZINC22_20906666,PC-id_29209552,ChEMBL-DNDi_CHEMBL33709530	423.508	GGJBZVNPGOSMOR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126308
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cc(C)cc(C)c2)CC3)o1	MCULE-3840417308,EMOLS-id_20708523,PC-id_26344989,ZINC22_14990276,CoCoCo_1583305,CoCoCo_1583306,ChEMBL-DNDi_CHEMBL84089026	423.508	YHCZFRFMNTUNTD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126309
O1CCC(CC1)C(=O)NC(c1n2CCN(CCc2nn1)Cc1oc2c(c1)cccc2)C	PC-id_45931460	423.508	HCVATEZOIFZUID-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-126310
O(c1c(OCC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1)C(C(=O)N(C)C)C	PC-id_78488732	423.508	XHGIOEYCHPIJKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126311
O(c1c(OCC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)[C@H](C(=O)N(C)C)C	PC-id_7481100	423.508	XHGIOEYCHPIJKX-HZGBGQKMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126312
O(c1c(OCC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)[C@@H](C(=O)N(C)C)C	PC-id_7481102	423.508	XHGIOEYCHPIJKX-APVMCDBPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126313
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)NCC1CC1	PC-id_93332472	423.508	DRMJTRVNDDECOW-INIZCTEOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126314
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)NCC1CC1	PC-id_93332473	423.508	DRMJTRVNDDECOW-MRXNPFEDSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126315
O=C(CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C)NCC1CC1	PC-id_46049676,EMOLS-id_25387126,MCULE-2713264742	423.508	DOXUHFXTUDBNRU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126316
O=C(N1CCCC1)CCNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1	PC-id_42855034	423.508	VNUQXBJNBJGXRO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126317
O=C(N1CCCC1)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_46049715	423.508	QSERPMREAQPJQU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126318
O=C(N1CCCC1)C(NC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_46049765	423.508	QZYKRVCJYLSHFZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126319
O=C(N1CCCC1)CN(C(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_46049770	423.508	XCRLOBXVDCHZHZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126320
O=C(N1CCCC1)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_46049667	423.508	UWDVYCZLQHDOOS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126321
O=C(N1CCCC1)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)C	PC-id_46159921	423.508	IDRQHDONCMBCNK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126322
O=C(N1C(CCC1)C(=O)NCCC)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049870	423.508	PGASVMNCVNRCIJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126323
O=C(N1C(CCCC1)C)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46159899	423.508	DIITYKIUFAQGQB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126324
O=C(NC1CC1)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)CC	PC-id_46049945	423.508	AOIQAXOBZMCHSB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126326
O=C(NC1CCCCC1)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049884	423.508	NBJAOKLVJZRLAP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126327
O=C(NCC1CC1)CCNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1	PC-id_42855032	423.508	DKYNWVDXNMIAJY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126328
O=C(NCC1CC1)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C	PC-id_42855003	423.508	BGZWYGVPXQMMRH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126329
O=C(NCC1CC1)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_46049712	423.508	OUNJDPYMZDCHLE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126330
O=C(NCC1CC1)C(NC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_42855008	423.508	ITYCOFCIZZBZDB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126331
O=C(NCC1CC1)CN(C(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_46159939	423.508	RWUWLJSHZBHJSN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126332
O=C(NCC1CC1)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_46049664	423.508	NZGFIZKLFQLVCY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126333
O=C(N(CC)C)C1N(CCC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049586	423.508	XRNCVCLXPBQIQP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126334
CN(Cc1cn(C)nc1C)C(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	PC-id_146048480,MCULE-7862234289,EMOLS-id_207877292	423.511	VXHBQYGPHOPHEG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-126335
O=C(CC1CCn2c(CC1)nn(c2=O)Cc1cccnc1)NCc1c(C)nn(c1C)C	MCULE-5486803258,EMOLS-id_207877283	423.511	OAVYKCKFNYQMSQ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-126336
Fc1cc2C(=Cc3[nH]c4c(c3CCCN3CCOCC3)CCCCC4)C(=O)Nc2cc1	PC-id_72651831	423.523	LTGYMUYMLXVBRS-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-126337
Fc1cc2/C(=C/c3[nH]c4c(c3CCCN3CCOCC3)CCCCC4)/C(=O)Nc2cc1	SCHEMBL6693988,PC-id_60113742	423.523	LTGYMUYMLXVBRS-PGMHBOJBSA-N	00000010100010100101000000001010000000000000000000000000	31-01-126338
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCn1ccc2c1C=CCN(C2=O)C	PC-id_22011295,SCHEMBL6990333	423.523	USUFKXQWKRCONK-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-126339
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(cc2)C=CCN(C3=O)C)cc1	PC-id_10740963	423.523	BTDAQATVVBGSSF-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-126340
Fc1ccc(cc1)S(=O)(=O)N1CCC(C1)C(=O)Nc1nc2CCCCCc2s1	BDB-25062792,EMOLS-id_133659,PC-id_110246589,MCULE-1801043522	423.525	FVBYTBCCUZJKLO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126341
Fc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1nc2c(s1)CCCCC2	PC-id_42933524,MCULE-9426171045,EMOLS-id_44038034	423.525	RLDNPYCUSHETNQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126342
O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1	CoCoCo_4546179,PC-id_40120742,ZINC22_32885730	423.525	RLDNPYCUSHETNQ-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126343
O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1	CoCoCo_4546180,PC-id_40120743,ZINC22_32885731	423.525	RLDNPYCUSHETNQ-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126344
O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1	PC-id_92633578,ZINC22_19748119	423.525	FVBYTBCCUZJKLO-CYBMUJFWSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126345
O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1	PC-id_92633579,ZINC22_19748120	423.525	FVBYTBCCUZJKLO-ZDUSSCGKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126346
OC(=O)c1cc(c2-c1ccc(cc2)C(C)C)/C=CCCNS(=O)(=O)c1ccccc1	PC-id_139755193	423.525	DWZHKAKHRSFBQE-VURMDHGXSA-N	00000010100000110110000000000010000000000000000000000000	31-01-126347
OC(=O)c1cc(c2-c1ccc(cc2)C(C)C)C/C=C/CNS(=O)(=O)c1ccccc1	PC-id_9979714,SCHEMBL9626715	423.525	MRVOANZLHXXBQZ-VOTSOKGWSA-N	00000010100000110110000000000010000000000000000000000000	31-01-126348
OC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CC=CCNS(=O)(=O)c1ccccc1	SCHEMBL9626725,PC-id_10047932	423.525	MRVOANZLHXXBQZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-126349
OC(=O)c1cc(c2-c1ccc(cc2)C(C)C)C/C=CCNS(=O)(=O)c1ccccc1	SCHEMBL9627847	423.525	MRVOANZLHXXBQZ-SREVYHEPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-126350
OC(=O)/C=C/c1cc(c2-c1cc(ccc2)C(C)C)CCNS(=O)(=O)c1ccccc1	PC-id_15020233,SCHEMBL9627839	423.525	KXNAFGFSGNYXET-VAWYXSNFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-126351
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2CCCCCc2n1)c1c(F)cccc1	PC-id_24646754	423.525	WNNZSKFGPOWNCO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126352
S(=O)(=O)(NCCc1c2-c(c(c1)C=CC(=O)O)cc(C(C)C)ccc2)c1ccccc1	PC-id_54018854	423.525	KXNAFGFSGNYXET-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-126353
CC1(C)[C@H]2CC=C(CN3CCc4nnc(CNC(=O)c5cccc(F)c5)n4CC3)[C@@H]1C2	ZINC22_11974836,CoCoCo_1156581,MCULE-2571425233,CoCoCo_1156582,ChEMBL-DNDi_CHEMBL14164367,PC-id_42325676,EMOLS-id_25990347	423.526	MCTKULCGGMFTRV-ICSRJNTNSA-N	00001000100011110101001000000010000000000000000000000000	31-01-126354
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)CC1=CC[C@@H]2C[C@H]1C2(C)C	CoCoCo_1156579,CoCoCo_1156580	423.526	MCTKULCGGMFTRV-UYAOXDASSA-N	00001000100011110101001000000010000000000000000000000000	31-01-126355
Fc1cc(C(=O)NCc2n3CCN(CC4=CCC5C(C4C5)(C)C)CCc3nn2)ccc1	PC-id_74843465	423.526	MCTKULCGGMFTRV-UHFFFAOYSA-N	00001000100011110101001000000010000000000000000000000000	31-01-126356
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)OCC)C(=O)OC	PC-id_8932296	423.526	IBWFLIOWNCRLQF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-126357
s1c2c(CCCCC2)c(c1NC(=O)CN(CC(=O)N1CCOCC1)C)C(=O)OC	PC-id_8711537	423.526	QWFQZXHZONVBHX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-126358
c1(C(=O)OCC)c2CCCCCc2sc1NC=C1C(=NN(c2ccccc2)C1=O)C	PC-id_6825467,MCULE-7479401773	423.528	JLZCLJZLBAMYKS-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-126359
Cc1nn(c2ccccc2)c(C)c1NC(=O)COC(=O)c1cc2c(s1)CCCCC2	ZINC22_4768002,PC-id_7352077,MCULE-5200314264,CoCoCo_2861409,EMOLS-id_11683760	423.528	CNUAPEMGWUPJNQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126360
C[C@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4267719,ZINC22_12983375,PC-id_25647824	423.528	OROPTHPNCRPOAW-HNNXBMFYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-126361
C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25647821,ZINC22_12983372,CoCoCo_4267718	423.528	OROPTHPNCRPOAW-OAHLLOKOSA-N	00000010100000110100100000000010000000000000000000000000	31-01-126362
C[C@@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41290775,ZINC22_9949267,CoCoCo_4267712	423.528	ZXYYXIMWTDOEMF-OAHLLOKOSA-N	00000010100000110100100000000010000000000000000000000000	31-01-126363
C[C@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9949265,CoCoCo_4267713,PC-id_41290774	423.528	ZXYYXIMWTDOEMF-HNNXBMFYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-126364
CCOC(=O)c1c(N=CC2C(=NN(C2=O)c2ccccc2)C)sc2c1CCCCC2	PC-id_145919078	423.528	WFCSLPSAZPEPIN-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-126365
CCOC(=O)c1c(N/C=C/C(=NN(C2=O)c2ccccc2)C)sc2c1CCCCC2	ZINC22_100885199,CoCoCo_6876906,EMOLS-id_3740994,PC-id_7182550,STOCK3S-16961	423.528	JLZCLJZLBAMYKS-JXAWBTAJSA-N	00000011100000110101100000000010000000000000000000000000	31-01-126366
CCOC(=O)c1c(N/C=C/2C(=NN(C2=O)c2ccccc2)C)sc2CCCCCc12	ZINC22_102658901,SPECS-id_AE-848/13006025,EMOLS-id_45927799,CoCoCo_6876905,PC-id_5435554	423.528	JLZCLJZLBAMYKS-NBVRZTHBSA-N	00000011100000110101100000000010000000000000000000000000	31-01-126367
CCOC(=O)c1c(sc2c1CCCCC2)/N=C/c1c([nH]n(c1=O)c1ccccc1)C	PC-id_135437595	423.528	FWPATYPSKAFFPQ-ZVHZXABRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126368
COc1cccc(CN2CCc3nc(C(=O)Nc4cccc(OC)c4)sc3CC2)c1	ZINC22_1203821496,EMOLS-id_313792317	423.528	UOVQYOLMSTVMRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126369
N#Cc1c(NC(=O)C(Oc2cccc(c2)N2CCCC2=O)C)sc2c1CCCCC2	EMOLS-id_43988626,MCULE-2608702245,PC-id_42918856	423.528	OROPTHPNCRPOAW-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-126370
N#Cc1c(NC(=O)C(Oc2ccc(cc2)N2CCCC2=O)C)sc2c1CCCCC2	PC-id_16387775,MCULE-5264246460,EMOLS-id_11860346	423.528	ZXYYXIMWTDOEMF-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-126371
O=C(NNC(=O)c1cc2c(s1)CCCCC2)C=Cc1ccc(cc1)N1CCCC1=O	EMOLS-id_44040405,PC-id_72029807,MCULE-7359981037	423.528	KAWNUCNZPHVYOS-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-126372
O=C(NNC(=O)c1cc2c(s1)CCCCC2)/C=Cc1ccc(cc1)N1CCCC1=O	PC-id_97433171	423.528	KAWNUCNZPHVYOS-RAXLEYEMSA-N	00000010100000110100100000000010000000000000000000000000	31-01-126373
s1c2CCCCCc2cc1C(=O)NNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1	PC-id_47018221	423.528	KAWNUCNZPHVYOS-JLHYYAGUSA-N	00000010100000110100100000000010000000000000000000000000	31-01-126374
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCc1oc(c2ccccc2)cn1	PC-id_40394285	423.528	RIKXCQMCXCATNM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126375
s1c2CCCCCc2cc1C(=O)OCC(=O)NC(c1n(ccn1)C)c1ccccc1	PC-id_24590035	423.528	ZXIUYCSERULQLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126376
s1c2c(CCCCC2)c(c1N/C=c
/c(=C)[nH]n(c1=O)c1ccccc1)C(=O)OCC	PC-id_1581294	423.528	YCJUKMDCDTWJGS-JXAWBTAJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126377
s1c2c(CCCCC2)c(c1NC=c1c(=C)[nH]n(c1=O)c1ccccc1)C(=O)OCC	PC-id_53448802	423.528	YCJUKMDCDTWJGS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126378
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1)C(=O)N	PC-id_60416723	423.528	CVLZRQKJANMAQR-MDWZMJQESA-N	00100000100000110100000000000010000000000000000000000000	31-01-126379
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(C(=O)NC2CC2)cc1)C(=O)N	PC-id_76860313	423.528	CVLZRQKJANMAQR-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-126380
s1c2c(CCCCC2)c(c1NC(=O)CCc1oc(c2ccc(cc2)C)cn1)C(=O)N	PC-id_55487340	423.528	PCKUWNLYNLQMJK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126381
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1occc1)Cc1occc1)C#N	PC-id_24491264	423.528	DICIKAZAZXRZFM-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-126382
s1c2CCCCCc2nc1NC(=O)c1cc(OCC)c(OCc2cccnc2)cc1	PC-id_46581658	423.528	DPXUTSWEKTVONB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-126383
s1c2CCCCCc2nc1NC(=O)c1cc(OCC)c(OCc2ccncc2)cc1	PC-id_46535453	423.528	YRXKVRSJQXLSHA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-126384
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1nc(oc1C)c1ccccc1	PC-id_30593359	423.528	VATWQHKBMXGAHJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126385
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1oc(c2ccccc2)cn1	PC-id_24596526	423.528	OOFCDJZWCZKTBB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126386
s1c2CCCCCCc2nc1NC(=O)C(NC(=O)c1occc1)Cc1ccccc1	PC-id_56020827	423.528	NOYJQSCPSOYBPT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126387
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3OC)O)CCn12	PC-id_45183803,MCULE-3002522120,EMOLS-id_20457877	423.53	KYCQEZSTDUCVIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126388
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3O)OC)CCn12	PC-id_45167010,EMOLS-id_20629011,ChEMBL-DNDi_CHEMBL58604409,MCULE-6275440758	423.53	CRPPALCXHBFWPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126389
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(c(OC)c3)O)CCn12	EMOLS-id_68877392,PC-id_118755068,MCULE-7687377751	423.53	VPDZGBMTWLFVCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126390
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cccc(OC)c3O)CCn12	MCULE-1929954429,PC-id_45214122,EMOLS-id_20589731	423.53	XLFXTCPQECXYFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126391
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cc(OC)ccc3O)CCn12	EMOLS-id_20546195,MCULE-1542232461,PC-id_45204010	423.53	YANZOOFLZTZIAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126392
CCOc1cccc(c1O)CN1CCc2n(CC1)c(nn2)CNS(=O)(=O)C(C)C	PC-id_56851896,ChEMBL-DNDi_CHEMBL10427943	423.53	YSAIULPJKOBIEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126393
COc1cccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c1O	PC-id_26354603,CoCoCo_1403002,CoCoCo_1403003,ZINC22_14998839	423.53	XLFXTCPQECXYFE-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126394
COc1cccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c1O	ZINC22_14998842,CoCoCo_1403001,PC-id_26354607,CoCoCo_1403000	423.53	XLFXTCPQECXYFE-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126395
COc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c(O)c1	ZINC22_12077804	423.53	CRPPALCXHBFWPB-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126396
COc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c(O)c1	ZINC22_12077806	423.53	CRPPALCXHBFWPB-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126397
COc1cc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)ccc1O	ZINC22_299770574	423.53	VPDZGBMTWLFVCC-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126398
COc1cc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)ccc1O	ZINC22_299770592	423.53	VPDZGBMTWLFVCC-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126399
COc1ccc(O)c(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	CoCoCo_1337906,ZINC22_12190715,CoCoCo_1337905,PC-id_42451721	423.53	YANZOOFLZTZIAJ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126400
COc1ccc(O)c(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	CoCoCo_1337908,CoCoCo_1337907,ZINC22_12190714,PC-id_42451719	423.53	YANZOOFLZTZIAJ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126401
COc1cc(O)ccc1CN1CCc2nnc([C@@H](NS(=O)(=O)C)C(C)C)n2CC1	PC-id_26280389,CoCoCo_1211182,CoCoCo_1211183,ZINC22_14885581	423.53	KYCQEZSTDUCVIQ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126402
COc1cc(O)ccc1CN1CCc2nnc([C@H](NS(=O)(=O)C)C(C)C)n2CC1	ZINC22_14885584,CoCoCo_1211181,CoCoCo_1211180,PC-id_26280391	423.53	KYCQEZSTDUCVIQ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126403
Cc1cc(c(c(c1)C)NC(=O)C[NH+](C)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)C	PC-id_135666970	423.531	LEFWGEDQPNIIAA-HNENSFHCSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126404
Cc1c(c(=O)[nH]c(n1)c1ccncc1)CCC(=O)Nc1nc2c(s1)CCCCCC2	PC-id_136179377	423.531	KSZAXCTYNOHPRZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-126405
CCc1ccc(cn1)C(=O)N1CCc2nc(C(=O)NCc3cccs3)n(C)c2CC1	ZINC22_1565556417,EMOLS-id_313769934	423.531	SYQGVSKUMVMKRX-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-126406
o1c(C(CC[NH+]2CCn3c(nnc3CCNC(=O)c3cccnc3)CC2)C)ccc1C	PC-id_74784612	423.531	HIZKWWSOKIZBNV-UHFFFAOYSA-O	00000000101000101101000000000010000000000000000000000000	31-01-126407
o1c([C@H](CC[NH+]2CCn3c(nnc3CCNC(=O)c3cccnc3)CC2)C)ccc1C	PC-id_42236945	423.531	HIZKWWSOKIZBNV-KRWDZBQOSA-O	00000000101000101101000000000010000000000000000000000000	31-01-126408
o1c([C@@H](CC[NH+]2CCn3c(nnc3CCNC(=O)c3cccnc3)CC2)C)ccc1C	PC-id_42236948	423.531	HIZKWWSOKIZBNV-QGZVFWFLSA-O	00000000101000101101000000000010000000000000000000000000	31-01-126409
O=C(C[NH+](CC(=O)Nc1c(cc(cc1C)C)C)C)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78739305	423.531	PGAFGCZXPFDGIL-UHFFFAOYSA-O	00000011000000110111000000000010000000000000000000000000	31-01-126410
O=C(C[NH+](CC(=O)Nc1c(cc(cc1C)C)C)C)/C(=C
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O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1nc(ccc1)C)CC(C)C)c1occc1	PC-id_74802605	423.531	QRNPODXUUVTTFS-UHFFFAOYSA-O	00000000101000101101000000000010000000000000000000000000	31-01-126412
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1nc(ccc1)C)CC(C)C)c1occc1	PC-id_42430106	423.531	QRNPODXUUVTTFS-LJQANCHMSA-O	00000000101000101101000000000010000000000000000000000000	31-01-126413
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1nc(ccc1)C)CC(C)C)c1occc1	PC-id_42430107	423.531	QRNPODXUUVTTFS-IBGZPJMESA-O	00000000101000101101000000000010000000000000000000000000	31-01-126414
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(n(nc1)c1ncccc1)C(C)C	PC-id_43070011	423.531	ZXWYEIDLUYUPAJ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-126415
s1c2CCCCCCc2cc1C(=O)Nc1ccc(NC(=O)C(n2ncnc2)C)cc1	PC-id_46403140	423.531	XJEURCCDIOAUMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126416
O1c2c(n(CCCCCCCCCCCC)c(c2OCCC1)C(=O)O)C(=O)OCC	PC-id_45278030	423.543	HDAJKVORNLMDOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126417
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CC(CCC1)C(=O)OCC)C(=O)OC	PC-id_78718839	423.546	DFUXLAFOSRQBQO-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-126418
O=C(NCCc1n2CCCCCc2nn1)C1CCN(CC1)C(=O)CCc1ccccc1	PC-id_55634695	423.551	XDUYUYGXVAZYSF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126456
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C(=O)OCC)C(=O)OC	PC-id_8931640	423.546	FQHTWZLYVQGSGY-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-126419
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1C[C@@H](CCC1)C(=O)OCC)C(=O)OC	PC-id_8533263	423.546	DFUXLAFOSRQBQO-CQSZACIVSA-O	00000000100010000100000000000010000000000000000000000000	31-01-126420
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1C[C@H](CCC1)C(=O)OCC)C(=O)OC	PC-id_8533266	423.546	DFUXLAFOSRQBQO-AWEZNQCLSA-O	00000000100010000100000000000010000000000000000000000000	31-01-126421
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1ccc(cc1)OCCCNC1CCCCC1	PC-id_21953120,SCHEMBL6092464	423.548	GGOJNIMGSOLLQM-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-126422
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1cccc(c1)OCCCNC1CCCCC1	SCHEMBL6095017,PC-id_21953099	423.548	UTLIJUPGGMTIQW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-126423
C1CCCc2cc(c([nH]2)/C=C/2C(=CC(=N2)c2ccc[nH]2)C=O)C(CC1)Cc1ccccc1	PC-id_136056022,SCHEMBL13922091	423.549	ZQVBLNPBXPIUHV-NLRVBDNBSA-N	00000011110000110100100000000010000000000000000000000000	31-01-126424
C1CCCc2cc(c([nH]2)C=C2C(=CC(=N2)c2ccc[nH]2)C=O)C(CC1)Cc1ccccc1	PC-id_136500269	423.549	ZQVBLNPBXPIUHV-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-126425
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	PC-id_9150987,MCULE-7824986830,ZINC22_8020843,EMOLS-id_11835120,CoCoCo_4194718	423.549	SFFFXBRWSKWGHK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-126426
COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc3c(s2)CCCCC3)c1	ZINC22_40037742,MCULE-5522289858,PC-id_45865021,CoCoCo_4564225,EMOLS-id_44040775	423.549	NWSRJDUENBSHDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126427
O=Cc1c(=Cc2[nH]c3CCCCCCC(c2c3)Cc2ccccc2)[nH]/c(=C/2N=CC=C2)/c1	PC-id_57563370	423.549	RNQSFZVJSDNPQV-FDZRFJNASA-N	00000011110000110100100000000010000000000000000000000000	31-01-126428
O=Cc1c(=Cc2[nH]c3CCCCCCC(c2c3)Cc2ccccc2)[nH]c(=C2N=CC=C2)c1	PC-id_76567030	423.549	RNQSFZVJSDNPQV-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-126429
s1c2CCCCCCc2nc1NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1	PC-id_56020953	423.549	ULDQLPJTYIBWOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126430
s1c2CCCCCCc2nc1NC(=O)c1cc(S(=O)(=O)N(C)C)c(OC)cc1	PC-id_56020952	423.549	BAYIHZCJPPQXHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126431
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCCCC1)c2)Cc1ccc(cc1)C	PC-id_50797889,EMOLS-id_32846150,MCULE-2126920557	423.551	SIQHZUVNWIZKIC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126432
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCCCC1)c2)Cc1cccc(C)c1	PC-id_53034585,EMOLS-id_32633198,MCULE-6643593812	423.551	UUNAWONBZKTBOQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126433
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCCCCC1)c2)Cc1cccc(C)c1	MCULE-2452305222,EMOLS-id_32633202,PC-id_53086387	423.551	UTMFQTJPBOCRBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126434
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(cc3)C#CC(C)(C)O)CCn12	PC-id_45167350,EMOLS-id_232780354,MCULE-3057668326	423.551	SAWUPZXCFXMGCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126435
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(CC3=CC[C@@H]4C(C)(C)[C@H]3C4)CCn12	ZINC22_12077871,ChEMBL-DNDi_CHEMBL58973297,PC-id_42396919,MCULE-3781348018,EMOLS-id_232759153	423.551	QWYFNOKBULIMTP-ICSRJNTNSA-N	00001000101011000101001000000010000000000000000000000000	31-01-126436
s1c2c(CCCCC2)c(c1NC(=O)CCN1C(CCC1)c1ccc(OC)cc1)C#N	PC-id_24428818	423.571	KNNNMOLBUNLMSX-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-126494
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCCN1CCCCCC1	CoCoCo_2544551,PC-id_20964733	423.551	WQKUWPDWKAUTHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126437
CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=Cc1ccccc1)C	SCHEMBL1174404,PC-id_87208740	423.551	PSSYHOIRMSAVIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126438
CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC22_12124163	423.551	SAWUPZXCFXMGCB-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126439
CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC22_12124170	423.551	SAWUPZXCFXMGCB-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126440
CC[C@H](C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)C#CC(O)(C)C)C	CoCoCo_1146636,CoCoCo_1146638	423.551	HQLJQPDVZGJEMM-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126441
CC[C@@H](C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)C#CC(O)(C)C)C	CoCoCo_1146637,CoCoCo_1146635	423.551	HQLJQPDVZGJEMM-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126442
C[C@@H]1CN(C[C@@H](O1)C)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CC1CC1	PC-id_134806598	423.551	HUFBMZVKZVCDDE-HDICACEKSA-N	00100000100010110101000000000010000000000000000000000000	31-01-126443
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C(=C)c1ccccc1	SCHEMBL1176103,PC-id_57635234	423.551	NUMHDLPIFMYMRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126444
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C(=C)c1ccccc1	PC-id_57736898,SCHEMBL1176102	423.551	NUMHDLPIFMYMRV-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126445
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)/C=C/c1ccccc1	SCHEMBL1174401,PC-id_57635462	423.551	PSSYHOIRMSAVIC-JNCYCUAHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126446
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=Cc1ccccc1	SCHEMBL1174406,PC-id_66931816	423.551	PSSYHOIRMSAVIC-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126447
O=C1N(CCCn2nc(cc12)C(=O)NCCCN1CCCCCC1)Cc1ccccc1	CoCoCo_2544517,PC-id_20964719	423.551	UULQSIXQKVYKLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126448
O=C1N(CCC(N=O)c2c1n(CCCCCN1CCN(CC1)c1ccccc1)cc2)C	PC-id_53667364	423.551	AXMMESKUTRAPJP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126449
O=C1N(CCC(=NO)c2c1n(CCCCCN1CCN(CC1)c1ccccc1)cc2)C	PC-id_73658871,SCHEMBL7143240	423.551	WJBIEVJTCLEAIL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126450
O=C1N(CC/C(=N/O)/c2c1n(CCCCCN1CCN(CC1)c1ccccc1)cc2)C	SCHEMBL7143237,PC-id_20085244	423.551	WJBIEVJTCLEAIL-LVWGJNHUSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126451
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O=C(/C=C/c1cccs1)N1CCc2nc(sc2CC1)C(=O)NCc1ccccc1	ZINC22_2055785160,EMOLS-id_313792057	423.551	PVYLELBJQCDYTG-CMDGGOBGSA-N	00000000100100110101000000000010000000000000000000000000	31-01-126453
O=C(NCc1n2CCN(CC3=CCC4C(C3C4)(C)C)CCc2nn1)c1c(oc(c1)C)C	PC-id_74794772	423.551	QWYFNOKBULIMTP-UHFFFAOYSA-N	00001000101011000101001000000010000000000000000000000000	31-01-126454
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O=C(NCc1nnc2n1CCCCC2)C1CCN(S(=O)(=O)c2cccs2)CC1	PC-id_26112610,EMOLS-id_24495757,MCULE-8035013611,ZINC22_14485214,CoCoCo_3865669	423.553	LMJMPWCVZCEDLL-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-126457
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc(S(=O)(=O)N(C)C)c(cc1)C	PC-id_16541828	423.553	ILHGCZBXCRZJLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126458
S(c1n2CCCCCc2nn1)C(C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1)C	PC-id_24371231	423.553	LCHFSPJCZIENNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126459
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	PC-id_24371237	423.553	NCKLMSCVBWWEQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126460
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Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1c1ccccc1	CoCoCo_3092768,PC-id_3906081,MCULE-9570723474,EMOLS-id_3435125,ZINC22_9507541	423.554	NUKSZKNJTANKSE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126462
C[C@H](Sc1nc(c2ccccc2)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4176984,ZINC22_9908760,CoCoCo_4176986,PC-id_41271515,CoCoCo_4176988,CoCoCo_4176990	423.554	XNMIWHUETXHAOI-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126463
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s1c2CCCCCc2c(c1NC(=O)CSc1n(c2c(cccc2)C)cnn1)C#N	PC-id_41424736	423.554	MFMFZIGBCHEMHQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126476
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(c2ccccc2)cnn1)C)C#N	PC-id_43014196	423.554	WHKCABPNKDSGBW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126477
s1c2CCCCCc2c(c1NC(=O)C(Sc1nn(c2ccccc2)cn1)C)C#N	PC-id_24591861	423.554	PLWAFJJENNUHCP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126478
s1c2CCCCCc2nc1NC(=O)c1c2c(n(nc2)Cc2sccc2)nc(c1)C	PC-id_55531900	423.554	WEGPDNUCTMCSHS-UHFFFAOYSA-N	00000000100100100101000001000010000000000000000000000000	31-01-126479
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c2ccccc2)cnn1)C#N	PC-id_19644051	423.554	NZTUTZCOKYDJSH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126480
s1c2CCCCCCc2c(c1NC(=O)CSc1nn(c2ccccc2)cn1)C#N	PC-id_4105020	423.554	WKAKMAFPWWOMPL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126481
S(c1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)c3cccnc3)CC2)cc1)C	PC-id_42367277	423.554	VRJIATHCCNNEKI-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-126482
c1(c2CCCCCCCCCCc2sc1NC(=O)CCC(=O)O)C(=O)OC(C)C	ZINC22_4651134,SPECS-id_AK-968/41017367,PC-id_4097515,MCULE-8718558344,TIMTEC190756,EMOLS-id_4106779,CoCoCo_6790172	423.566	HGTNIVXEYNLVSS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-126483
c1(NC(=O)CCCC(=O)O)sc2c(CCCCCCCCCC2)c1C(=O)OCC	MCULE-7223872726,TIMTEC247583,CoCoCo_6790186,ZINC22_4614573,PC-id_4094022,EMOLS-id_4106775,SPECS-id_AK-968/15360319	423.566	JSAOTYACARQDQV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-126484
c1(NC(=O)CCC(=O)O)sc2c(CCCCCCCCCC2)c1C(=O)OCCC	SPECS-id_AK-968/15603114,MCULE-7537784886,PC-id_3667941,TIMTEC551596,ZINC22_4614935,EMOLS-id_4106777,CoCoCo_6816994	423.566	XNBIJLNPHYRMST-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-126485
c1(NC(=O)CCC(=O)O)sc2c(CCCCCCCCCCC2)c1C(=O)OCC	EMOLS-id_4106781,CoCoCo_6813944,MCULE-8845114760,PC-id_4392141,TIMTEC389565,SPECS-id_AK-968/41924633,ZINC22_4652246	423.566	PUGRHIWSFJDCHB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-126486
Fc1ccc(cc1)Cn1nc(c2c1CCCCC2)C(=O)NC1C2(C)CCC(C1(C)C)C2	PC-id_66647615,SCHEMBL300646	423.566	FDJTXACYKBVUQS-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-126487
CC(NC(=O)CCCCCNC(=O)C1(F)CCCCCc2c1nnn2CC(C)C)C	SCHEMBL18880164	423.568	NBFXYZVJQGCXIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126488
CCOC(=O)c1c2c(CCCCC2)sc1NC(=O)CNCCCN1CCOCC1	ZINC22_95011308,EMOLS-id_300054407,PC-id_5075837,ChEMBL-DNDi_CHEMBL3344-1439,MCULE-7962649776,CoCoCo_1738965	423.569	LGCRDGQQXXIVKI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-126489
s1c2c(CCCCC2)c(c1NC(=O)CN(CC(=O)NC(C)(C)C)CC)C(=O)OC	PC-id_8796772	423.569	VMAMHAMAFAESIP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-126490
c1(sc2c(CCCCC2)n1)NC(=O)C1CCC(CC1)CN1Cc2c(cccc2)C1=O	MCULE-7657859366	423.571	RRXKMQKVIPAKHK-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-126491
c1(sc2c(CCCCC2)n1)NC(=O)[C@@H]1CC[C@H](CC1)CN1Cc2c(cccc2)C1=O	MCULE-1511246932,EMOLS-id_317404249,ZINC22_1775942484	423.571	RRXKMQKVIPAKHK-QAQDUYKDSA-N	00000010100010100101000000001010000000000000000000000000	31-01-126492
s1c2c(CCCCC2)c(c1NCc1n(ccc1)C)C(=O)Nc1c(OCC)cccc1	PC-id_3688571	423.571	SJJVFCRTXHXWLL-UHFFFAOYSA-N	00000000110000110100000000000010000000000000000000000000	31-01-126493
s1c2c(CCCCC2)c(c1NC(=O)CCN1[C@@H](CCC1)c1ccc(OC)cc1)C#N	PC-id_29519666	423.571	KNNNMOLBUNLMSX-NRFANRHFSA-N	00000010100000110100100000000010000000000000000000000000	31-01-126495
s1c2c(CCCCC2)c(c1NC(=O)CCN1[C@H](CCC1)c1ccc(OC)cc1)C#N	PC-id_29519669	423.571	KNNNMOLBUNLMSX-OAQYLSRUSA-N	00000010100000110100100000000010000000000000000000000000	31-01-126496
s1c2c(CCCCC2)c(c1NC(=O)CCN(C1CC1)Cc1ccc(OC)cc1)C#N	PC-id_27082810	423.571	LGNILCUEJUXNRU-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-126497
s1c2c(CCCCC2)c(c1NC(=O)CN1CCC(CC1)C(O)c1ccccc1)C#N	PC-id_46517967	423.571	CJCRLOLPUJLZGD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-126498
s1c2c(CCCCC2)c(c1NC(=O)CN(CC1OCCC1)Cc1ccccc1)C#N	PC-id_60565380	423.571	KTAAZPVKMXGAIW-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-126499
s1c2c(CCCCC2)c(c1NC(=O)CN(C[C@H]1OCCC1)Cc1ccccc1)C#N	PC-id_52733738	423.571	KTAAZPVKMXGAIW-IBGZPJMESA-N	00000010100000110100000000000010000000000000000000000000	31-01-126500
s1c2c(CCCCC2)c(c1NC(=O)CN(C[C@@H]1OCCC1)Cc1ccccc1)C#N	PC-id_52733740	423.571	KTAAZPVKMXGAIW-LJQANCHMSA-N	00000010100000110100000000000010000000000000000000000000	31-01-126501
s1c2CCCCCCc2nc1NC(=O)C1CCN(CC1)C(=O)/C=C/c1ccccc1	PC-id_56021590	423.571	OUILEAFNFZKBFJ-OUKQBFOZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126502
s1c2CCCCCCc2nc1NC(=O)C1CCN(CC1)C(=O)C=Cc1ccccc1	PC-id_76294561	423.571	OUILEAFNFZKBFJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126503
O=C(CCS(=O)(=O)C1CCCC1)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_45899897,ZINC22_40121111,EMOLS-id_30256893,MCULE-3855639239	423.573	GNTGHZKSHFOIAS-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-126504
Cc1ccc(c(c1)C)c1sc(c(n1)C)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_86884589	423.574	DXSBBPQBAIAIOO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126505
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)s1	CoCoCo_1439784,CoCoCo_1439785,PC-id_26320535,ZINC22_14958074	423.574	ZCSIBTOEAUYAHZ-GOSISDBHSA-N	00000000100100110101000000000010000000000000000000000000	31-01-126506
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)s1	CoCoCo_1439787,CoCoCo_1439786,PC-id_26320539,ZINC22_14958079	423.574	ZCSIBTOEAUYAHZ-SFHVURJKSA-N	00000000100100110101000000000010000000000000000000000000	31-01-126507
Cc1ccsc1CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1	CoCoCo_1401678,CoCoCo_1401679,PC-id_26353956,ZINC22_14998160	423.574	MKKXQXYHBZGIAG-GOSISDBHSA-N	00000000100100110101000000000010000000000000000000000000	31-01-126508
Cc1ccsc1CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1	ZINC22_14998163,PC-id_26353960,CoCoCo_1401681,CoCoCo_1401680	423.574	MKKXQXYHBZGIAG-SFHVURJKSA-N	00000000100100110101000000000010000000000000000000000000	31-01-126509
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccc(C)s3)CCn12	EMOLS-id_20614451,ChEMBL-DNDi_CHEMBL54558645,PC-id_45219983,MCULE-3510698297	423.574	ZCSIBTOEAUYAHZ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-126510
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3sccc3C)CCn12	ChEMBL-DNDi_CHEMBL47770212,MCULE-4838427238,PC-id_45213927,EMOLS-id_20588891	423.574	MKKXQXYHBZGIAG-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-126511
CN1CCN(CC1)C(=O)c1sc2c(c1)C/N=C(NCC/C=C)/Nc1ccccc1C	SCHEMBL13591936	423.574	ZBFYVQKQAXOZMB-UITAMQMPSA-N	00000000100010110111000000000010000000000000000000000000	31-01-126512
N#Cc1c(NC(=O)CCN2CCN(CC2)Cc2ccncc2)sc2c1CCCCC2	PC-id_112798732	423.574	IXYVUYZSJMEWCA-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-126513
O=C(C1CCC1)NCCc1nnc2n1CC[N@@H+](CC2)C/C=C/c1ccc(cc1)N(C)C	GD-id_ZINC14882783	423.574	NYYFZZWSGQNJDQ-SNAWJCMRSA-O	00001000100000110101000000000010000000000000000000000000	31-01-126514
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1ncccc1)C#N	PC-id_29944499	423.574	QGFDDXGSPRRVGO-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-126515
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)Cc1ncccc1)C)C#N	PC-id_55470090	423.574	ZDNIVWMDLAEQOE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-126516
s1c(C(=O)N2CCN(CC2)C)cc2c1C=CCCNC(=NC2)Nc1c(cccc1)C	PC-id_70947161	423.574	ZBFYVQKQAXOZMB-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-126517
s1c2CCCCCc2c(c1NC(=O)CSc1sc(NCCOC)nn1)C#N	PC-id_4819155	423.576	ZOPMEHVVCVOMOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126518
N(c1ccc(C(c2c3-c(cc2)ccc(N(C)C)cc3)c2ccc(N(C)C)cc2)cc1)(C)C	PC-id_10598393	423.592	JWFZOHHODGPVMT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-126519
s1c2c(CCCCC2)c(c1NC(=S)NCCCN1CCCC1=O)C(=O)OCC	PC-id_20167486	423.593	PGCLNEAMLMFODW-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-126520
s1c2c(CCCCCC2)c(c1NC(=S)NCCCN1CCCC1=O)C(=O)OC	PC-id_20167482	423.593	GSGNJNPQFWGBCK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-126521
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(C/C=C(C)/C)CCn12	EMOLS-id_20510505,MCULE-2554261085,PC-id_45195882	423.594	LVHPXAHTECTCIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126522
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(CC(=CC)C)CCn12	MCULE-1566912670,PC-id_74779788	423.594	CGLNVWWRSCOJHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126523
Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1C	CoCoCo_1290056,EMOLS-id_20512963,PC-id_29151037,MCULE-3837449316,ZINC22_20778333,CoCoCo_1290057	423.594	HEMUQYAYZQYXFK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126524
CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1	MCULE-4857306883,PC-id_26278086,CoCoCo_1203012,EMOLS-id_20452005,CoCoCo_1203011,ZINC22_14882298	423.594	MUDAPYIUTYQDKX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126525
CC(CCC=C(C)C)CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1	EMOLS-id_36587238,PC-id_45214625,MCULE-7589773760	423.594	WWIKWSYPAUSTHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126526
CC(=CCC[C@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1)C	CoCoCo_1406080,ZINC22_15000424,CoCoCo_1406078	423.594	WWIKWSYPAUSTHD-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126527
CC(=CCC[C@@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1)C	CoCoCo_1406081,CoCoCo_1406079,ZINC22_15000426	423.594	WWIKWSYPAUSTHD-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126528
C/C=C(C)/CN1CCc2nnc(C(CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1	PC-id_45185025,EMOLS-id_25995019	423.594	CGLNVWWRSCOJHW-CNHKJKLMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126529
C/C=C(C)/CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1	CoCoCo_1218479,PC-id_42162200,CoCoCo_1218477,ZINC22_11782273	423.594	CGLNVWWRSCOJHW-BLJICVJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126530
C/C=C(C)/CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1	ZINC22_11782272,PC-id_42162198,CoCoCo_1218473,CoCoCo_1218475	423.594	CGLNVWWRSCOJHW-YVOIMTDZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126531
COc1ccccc1OCc1ccc(o1)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_86884591	424.493	VMOBTIUOAMXIIU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-126723
C/C=C(CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1cc(C)cc(c1)C)CC(C)C)/C	CoCoCo_1218474,CoCoCo_1218472	423.594	CGLNVWWRSCOJHW-BQOLXKIQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126532
C/C=C(CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1cc(C)cc(c1)C)CC(C)C)/C	CoCoCo_1218478,CoCoCo_1218476	423.594	CGLNVWWRSCOJHW-BPMCLIHCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126533
CC(CCN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1)c1ccccc1	PC-id_45197852,EMOLS-id_20519207,MCULE-8187522140	423.594	RYHXGNWUROLSLQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126534
CC(=CCN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1)C	PC-id_42275104,CoCoCo_1286333,CoCoCo_1286332,ZINC22_11910851	423.594	LVHPXAHTECTCIK-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126535
CC(=CCN1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1)C	ZINC22_11910852,CoCoCo_1286335,CoCoCo_1286334,PC-id_42275106	423.594	LVHPXAHTECTCIK-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126536
C[C@H](CCN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1)c1ccccc1	CoCoCo_1299067,CoCoCo_1299065,PC-id_42348932,ZINC22_12004844	423.594	RYHXGNWUROLSLQ-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126537
C[C@@H](CCN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1)c1ccccc1	ZINC22_12004840,PC-id_42348927,CoCoCo_1299066,CoCoCo_1299068	423.594	RYHXGNWUROLSLQ-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126538
O=C(Cn1cc2c(n1)CCCCC2)NCCCN1CCN(CC1)c1cc(C)ccc1C	CHEMBL1495237,ChEMBL-DNDi_CHEMBL1495237,CoCoCo_2192320,CoCoCo_2192319,PC-id_5308661	423.594	LFBCVXSSKNDXQH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126539
O=C(Cn1nc2c(c1)CCCCCC2)NCCN1CCN(CC1)c1cccc(c1C)C	CoCoCo_2192347,PC-id_20892502,CoCoCo_2192348	423.594	SOLPXWYUZNFEJD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126540
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1c(cccc1)C)C#N	PC-id_8725227	423.594	ZCFVGMYYPAPAJF-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-126541
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)SC)CCn12	MCULE-6063882731,EMOLS-id_20594041,PC-id_45166861,ChEMBL-DNDi_CHEMBL49044073	423.596	PZESXPQZCLTDAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126542
CSc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	ZINC22_12031336	423.596	PZESXPQZCLTDAH-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126543
CSc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	ZINC22_12031340	423.596	PZESXPQZCLTDAH-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126544
CCNC(=NCc1ccc(cc1)CN1CCCC1)NCCc1nnc2n1CCCCC2	PC-id_111393983	423.597	ROEPJXSKSKUDMX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126545
CCNC(=NCc1ccc(cc1)CN1CCCCC1)NCc1nnc2n1CCCCC2	PC-id_111411249	423.597	XLJGCUVCDQAYGZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126546
CCNC(=NCC1CCCN1Cc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111583282	423.597	WDOGTXKABGRXEG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126547
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)C(c1ccccc1)CC	PC-id_109545354	423.597	HOYIGIYMAGUIOX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126548
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C(C1)C)Cc1ccccc1	PC-id_109457484	423.597	WFBDJWZDKLXKES-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126549
CCNC(=NCC(c1ccccc1)N1CCCC1)NCCc1nnc2n1CCCCC2	PC-id_111326766	423.597	YFPKJBRENFGTDS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126550
CCNC(=NCCc1nnc2n1CCCCC2)NC1CC(N(C1)Cc1ccccc1)C	PC-id_109726519	423.597	KFERAOPTWNLGPK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126551
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(CC1)Cc1ccccc1	PC-id_110987342	423.597	KJBHFENRLVBVHP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126552
CCNC(=NCCc1nnc2n1CCCCC2)NC(c1cccc(c1)N1CCCC1)C	PC-id_109647767	423.597	AFDOHHSMSKHFPL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-126553
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1cccc(c1)C	PC-id_111421367	423.597	JYDGUEKNIFMRSB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126554
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)Cc1ccccc1	PC-id_110959981	423.597	UCGZLDRSGAIUCW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126555
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCN(C1)c1ccccc1	PC-id_112081643	423.597	NMIRTEFJQGKTSK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126556
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)c1ccccc1	PC-id_112078215	423.597	GEVCZIMANPMSEB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126557
CN=C(N1CCN(CC1)c1cccc(c1C)C)NCCCc1nnc2n1CCCCC2	PC-id_111238607	423.597	IBZQWTJDJABKDF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126558
CN=C(N1CCN(CC1)Cc1cccc(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_111347544	423.597	GPQCYGHXMWGGIF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126559
CN=C(NC1CCCN(C1)c1ccc(cc1)C)NCCCc1nnc2n1CCCCC2	PC-id_112083023	423.597	BXHGGIDZWZNQKA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126560
CN=C(NC1CCCN(C1)Cc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_112077588	423.597	QDOZYANRCRFZRK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126561
CN=C(NC1CC(N(C1)Cc1ccccc1)C)NCCCc1nnc2n1CCCCC2	PC-id_109725777	423.597	JFOAJACBQHRWCW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126562
CN=C(NC1CCN(CC1)Cc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_110986356	423.597	SNPCXWZYNTVATC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126563
CN=C(NC1CCN(C(C1)C)Cc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_109459326	423.597	JVHOZLXUYUDNDC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126564
CN=C(NCc1ccc(cc1)CN1CCCCC1)NCCc1nnc2n1CCCCC2	PC-id_111411303	423.597	JMTAKUAPQHLOPA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126565
CN=C(NC(c1cccc(c1)N1CCCC1)C)NCCCc1nnc2n1CCCCC2	PC-id_109646713	423.597	WPTVNLKRABFZKI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-126566
CN=C(NCC1CCCN1Cc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111583788	423.597	JRIBQKKHHTVVMU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126567
CN=C(NCC(c1ccccc1)N1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111326862	423.597	YGCYHQVSKLYRCZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126568
s1c2c(CCCCCC2)c(c1NC(=O)CSCc1sccc1)C(=O)OCC	PC-id_4128304	423.612	MZOLPVSIAQTRSG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-126569
CCc1cccc(c1)C(=C)/C=C(N(CC(=O)N1CCc2c(CC1)nc(s2)C)C)/CC	PC-id_145587835	423.614	QTCQAFWCARWKCW-JCMHNJIXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126570
CC/C(=C/C(=C)c1ccc(c(c1)C)C)/N(CC(=O)N1CCc2c(CC1)nc(s2)C)C	PC-id_145588101	423.614	FMAIWDZQFGWYEC-JCMHNJIXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126571
NCCCC[C@H]1CN(CC(C)C)c2c(C(=N1)SCCC(=O)O)nn(c2)CC(C)C	SCHEMBL3466560,PC-id_46840990	423.616	CKYSIFRLXWDBCM-KRWDZBQOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-126572
S(C1=NC(CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCN)CCC(=O)O	PC-id_75217859	423.616	CKYSIFRLXWDBCM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-126573
CCCCC(CC)COCC1(COc2c[nH]cc2OC1)COCC(CC)CCCC	PC-id_137419148,SCHEMBL20653122	423.629	HYWYIVKMAKBFPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126574
S(C1CCCCC1)CCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_23889555	423.632	PUWZHFJUGUSHAO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126575
s1c2c(CCCCC2)c(c1NC(=S)NC1CCN(CC1)CCC)C(=O)OCC	PC-id_20180225	423.636	QSDUZMBASVYFQM-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126576
s1c2c(CCCCC2)c(c1NC(=S)NC1CCN(CC1)C(C)C)C(=O)OCC	PC-id_20180305	423.636	BPIGFKYSJVZNDR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126577
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)CCC)C(=O)OCC	PC-id_20180734	423.636	HYEAUTPVEYZCAA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-126578
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCN(CC1)CCC)C(=O)OC	PC-id_20180218	423.636	CJCFZQINTMGGMX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126579
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCN(CC1)C(C)C)C(=O)OC	PC-id_20180298	423.636	ZIZXMLCLGSVWRW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126580
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCN(CC1)CC)C(=O)OCC	PC-id_20180165	423.636	SUKIWTMGOOXGGP-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126581
c1(C#N)c2CCCCCCCCCCc2sc1NCc1ccc(cc1)N(CC)CC	EMOLS-id_3741278,STOCK3S-89444,PC-id_1724364,MCULE-4534902602,ZINC22_2060347,SPECS-id_AE-848/13006031,CoCoCo_6876908	423.657	NEFRBHUQPZFFFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126582
C1CN(CCc2c1nc(o2)C(=O)Nc1ccc(cc1)Cl)Cc1cc2c(cc1)OCC2	PC-id_134808004	423.892	ZXIIEALKKCUDRD-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-126583
COc1cccc(c1)C1=NOC(=CCC1)CNC(=O)c1cc2=CC(=CCC=c2[nH]1)Cl	PC-id_144935891	423.892	ZMKZFMQWKAVWNV-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-126584
Clc1ccc(cc1)C(=O)N(c1ccc(cc1)NC(=O)C1CCn2c(CC1)nnc2)C	EMOLS-id_316285619,MCULE-1199193420	423.895	JRCQIOORTGJPFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126585
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)[C@H]2CCc3nncn3CC2)cc1	ZINC22_1125344071	423.895	JRCQIOORTGJPFS-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126586
CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)[C@@H]2CCc3nncn3CC2)cc1	ZINC22_1125344072	423.895	JRCQIOORTGJPFS-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126587
Clc1cc(C(=O)Nc2sc3CCCCCCc3n2)cc(OC)c1OCC(=O)N	PC-id_56022755	423.914	CPIRIXDEKWYVGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126588
C1CCc2c(CC1)n(nc2C(=O)NC(CO)c1ccccc1)Cc1cc(ccc1)Cl	PC-id_90728386	423.935	FJONHAVXZYKRKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126589
Clc1cc(CC2CCCCc3c2[nH]nc3C(=O)NC(c2ccccc2)CO)ccc1	SCHEMBL13745671,PC-id_57814177	423.935	XFJSCCHOOFTQRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126590
Clc1cc(CC2CCCCc3c2[nH]nc3C(=O)N[C@H](c2ccccc2)CO)ccc1	PC-id_58882537,SCHEMBL176624	423.935	XFJSCCHOOFTQRX-ZYZRXSCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126591
Clc1cc(CC2CCCCc3c2[nH]nc3C(=O)N[C@@H](c2ccccc2)CO)ccc1	SCHEMBL178152,PC-id_25070949	423.935	XFJSCCHOOFTQRX-BDPMCISCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126592
Clc1cc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@H](C2CC=CC=C2)CO)ccc1	SCHEMBL13753473,PC-id_70988006	423.935	XGJVDXHHRNQTQE-GDURLOPWSA-N	00000000100011110101000000000010000000000000000000000000	31-01-126593
Clc1ccc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@H](C2CC=CC=C2)CO)cc1	SCHEMBL13753549,PC-id_70988015	423.935	QDOKYAYNKDNJJJ-BUPCHDEGSA-N	00000000100011110101000000000010000000000000000000000000	31-01-126594
Clc1cc(C[C@H]2CCCCc3c2[nH]nc3C(=O)NC(c2ccccc2)CO)ccc1	PC-id_57814179,SCHEMBL13745625	423.935	XFJSCCHOOFTQRX-ITUIMRKVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126595
Clc1cc(C[C@@H]2CCCCc3c2[nH]nc3C(=O)NC(c2ccccc2)CO)ccc1	SCHEMBL13746011,PC-id_57814163	423.935	XFJSCCHOOFTQRX-YMXDCFFPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126596
Clc1cc(C[C@H]2CCCCc3c2[nH]nc3C(=O)N[C@@H](c2ccccc2)CO)ccc1	PC-id_25070948,SCHEMBL176719	423.935	XFJSCCHOOFTQRX-WIYYLYMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126597
Clc1cc(C[C@@H]2CCCCc3c2[nH]nc3C(=O)N[C@@H](c2ccccc2)CO)ccc1	PC-id_58882571,BindingDB_PC-id_58882571,SCHEMBL176781	423.935	XFJSCCHOOFTQRX-GHTZIAJQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126598
Clc1cc(C[C@@H]2CCCCc3c2[nH]nc3C(=O)N[C@H](c2ccccc2)CO)ccc1	PC-id_58882644,SCHEMBL176600	423.935	XFJSCCHOOFTQRX-RXVVDRJESA-N	00000000100000110101000000000010000000000000000000000000	31-01-126599
Clc1cc(C[C@H]2CCCCc3c2[nH]nc3C(=O)N[C@H](c2ccccc2)CO)ccc1	SCHEMBL176651,PC-id_58882598	423.935	XFJSCCHOOFTQRX-NQIIRXRSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126600
Clc1ccc(s1)C1=NOC(C1)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	EMOLS-id_48218340,MCULE-4761538944,PC-id_60529600	423.937	DDRDPDIMTXZZDR-UHFFFAOYSA-N	00000011100100000101100000000010000000000000000000000000	31-01-126601
Clc1ccc(s1)C1=NO[C@@H](C1)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_95653680	423.937	DDRDPDIMTXZZDR-NSHDSACASA-N	00000011100100000101100000000010000000000000000000000000	31-01-126602
Clc1ccc(s1)C1=NO[C@H](C1)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_95653681	423.937	DDRDPDIMTXZZDR-LLVKDONJSA-N	00000011100100000101100000000010000000000000000000000000	31-01-126603
Clc1cc(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc1C#N	PC-id_52698914	423.937	IELGKIYCHXKVFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126604
c1(CN(c2cccc(C)c2C)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	TIMTEC193775,ZINC22_974242,MCULE-5948685712,EMOLS-id_6787965,PC-id_1205150,CoCoCo_6269669	423.938	HKCHESQUVNHKFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126605
c1(CN(c2cccc(Cl)c2C)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	PC-id_7267243,MCULE-5773537528,CoCoCo_2580168,ZINC22_4518085,EMOLS-id_10086886	423.938	HGCOPPURXVOADZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126606
Cc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(Cl)cc2)c(C)c1	ZINC22_623910,CoCoCo_5791759,MCULE-2819932108,PC-id_4382106,SPECS-id_AT-225/NB76691	423.938	VOWBNOKABSKXTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126607
Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(Cl)c2C)cc1	CoCoCo_6602604,MCULE-7611438954,PC-id_16458967,ZINC22_28534820	423.938	OAALVVOIFBWEEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126608
CC(c1nnc2n1CCN(CC2)Cc1ccccc1Cl)NC(=O)c1ccccc1C	PC-id_45166224,ChEMBL-DNDi_CHEMBL24877665	423.938	HOYXRQXCDCGTCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126609
Clc1c(C(=O)Nc2cc(CNCCc3n4CCCCCc4nn3)ccc2)cccc1	PC-id_56436276	423.938	FIWHDELSYVBSBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126610
Clc1ccc(c(c1)[N+](=O)[O-])N1CC[NH+](CC1)Cn1nc2n(c1=S)CCCCC2	GD-id_ZINC16357302	423.94	WGAUABIFZPNKOH-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-126611
c1(NC(=O)CSc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4569429529,CoCoCo_5021937,ZINC22_9444086,EMOLS-id_30110080,PC-id_4382180	423.977	UGMQCALVNJCFGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126612
Clc1ccc(SCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_24056699	423.977	STVNDHHWKIOUAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126613
Clc1ccc(SC(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)C)cc1	PC-id_23998268	423.977	FOYABLWBDKDYDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126614
Clc1ccc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nc1	PC-id_19686313	423.98	KGMQFFKOERMGMH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-126615
Clc1ncccc1NC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_19686525	423.98	VCPCCSPXRUMFMG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-126616
Clc1sc(C(=O)NC2CCN(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_72246299	423.98	IQTDGVOAJGBGGZ-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-126617
Clc1sc(C(=O)N[C@@H]2CCN(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_59285236,SCHEMBL3310110	423.98	IQTDGVOAJGBGGZ-CYBMUJFWSA-N	00000010100100000100000000000010000000000000000000000000	31-01-126618
CCOC(=O)CC1SC(/C(=CC)/C=CC(=C/C)Cl)c2c(NC1C)n(nc2C)C	PC-id_144648143	424	VCQKYKFLLRWYDV-FXWWJVGSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126619
ClCC#Cc1c2n(CCCCC2CCO[Si](C(C)(C)C)(C)C)c(c1)C(=O)OC	PC-id_76023334	424.049	OWTGBBCOUJVUNI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-126620
ClCC#Cc1c2n(CCCC[C@@H]2CCO[Si](C(C)(C)C)(C)C)c(c1)C(=O)OC	PC-id_53360848	424.049	OWTGBBCOUJVUNI-QGZVFWFLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-126621
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2=O)CC=C(F)F	PC-id_154682120	424.082	NZSPRUFNFOZXAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126622
CN1C=C2C(=C1C(=O)NC3=CC(=C(C(=C3)F)F)F)C=C[C@@H](NS2(=N)=O)CC4CC4	PC-id_154991297	424.118	GQSOVNXEQZSWTG-BKVLDKJMSA-N	00100000100000110111000000000010000000000000000000000000	31-01-126623
CC#CC(C1C=CC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)C)C#N)O	PC-id_161740973	424.121	ZLCLRQLNCWHTQC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-126624
CC(C(F)(F)F)NC(=O)N1CC=CCC2=C(N(C=C21)C)C(=O)NC3=CC=C(C=C3)F	PC-id_148833524	424.152	OUDIENQBTFLTBO-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-126625
COCCNC1=NN2CCC(C(=O)NC2=C1)NC(=O)C3=NN(C=N3)CC4=CC=CC=C4	PC-id_154021427	424.197	ZSCYDLNVNQLSJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126626
CC1=NN(C(=C1)CNC(=O)[C@H]2CCC3=NN(C(=O)N3CC2)CCOC4=CC=CC=C4)C	PC-id_164637637	424.222	KXBZNMCCEXTPOB-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126627
CCN1C=C(C2=C1C(=O)NCCCOCCC2)CC(C)(C)COC(=O)CCSC	PC-id_155171334	424.24	DZEOZQMMLXIBPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126628
Brc1c2-c(ccc(C(=C)/C=C/C[Si](C)(C)C)cc2)c(Br)c1	PC-id_11247270	424.245	PWDKPWONOPTZNN-AATRIKPKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-126629
Brc1c2-c(ccc(C(=C)C=CC[Si](C)(C)C)cc2)c(Br)c1	PC-id_72767849	424.245	PWDKPWONOPTZNN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-126630
C1Cn2cc(nc2OCCN1CC(=O)NCc1ccc(cc1)Br)[N+](=O)[O-]	PC-id_89580015,SCHEMBL14965565	424.249	FLYSOXZISDUVQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126631
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cnc1Cl	PC-id_45690443	424.301	MWKSZBFWUUDPAI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-126632
Clc1c(nc(Cl)cc1)C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_5134842	424.301	RYGHKLHNTHOWAD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-126633
Brc1cn(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)c(=O)cc1	PC-id_55640261	424.312	ZEVZJIKDUYNJMZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-126634
O=C(CNC(=O)c1ccc(cc1Cl)Cl)NCCCc1nnc2n1CCCCC2	PC-id_86884601	424.324	IKZVBDIXOBZVMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126635
Clc1cc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1Cl	PC-id_5078193	424.341	VAXPYKVQAVQQJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126636
Clc1cc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1Cl	PC-id_6264361	424.341	VAXPYKVQAVQQJU-CSKARUKUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126637
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_4324264	424.341	QPMPNMXEPGXFKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126638
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_6069557	424.341	QPMPNMXEPGXFKN-CSKARUKUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126639
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(Cl)ccc1	PC-id_4551028	424.341	CLEYXOIMMZKIKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126640
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(Cl)ccc1	PC-id_6147392	424.341	CLEYXOIMMZKIKP-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126641
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2ccc(c(Cl)c2)Cl)C1	MCULE-4867402001,EMOLS-id_323396526	424.344	RDWCQVOAWXCJIV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-126642
Brc1cc(CNc2sc3c(CCCCC3)c2C(=O)OCC)c(O)cc1	PC-id_24102548	424.352	TZFREYBROGADQU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126643
Brc1cc(sc1)C(=O)c1n2c(C(CCCC2)C(=O)OC(C)C)cc1C	SCHEMBL11202864,PC-id_20484114	424.352	BURKRDRZIYUBRO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-126644
Brc1c(scc1)C(=O)c1n2c(C(CCCC2)C(=O)OC(C)C)cc1C	PC-id_20484180,SCHEMBL11203557	424.352	WLHWDIXYXWPEGJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-126645
Brc1sc(C(=O)c2n3c(C(CCCC3)C(=O)OC(C)C)cc2C)cc1	PC-id_20484124,SCHEMBL11197385	424.352	OZGIPJJFYREOPL-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-126646
c1(NC(=S)NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C#N	EMOLS-id_2224870,MCULE-9840301041,ZINC22_2841005,TIMTEC238378,PC-id_2196603,CoCoCo_957155	424.367	JHXFSFMLLFBFCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126647
CCCCN1C(=O)NC(=O)NC(=O)NCC(=O)NC(=O)NCc2oc(C1CC)nn2	SCHEMBL18652890	424.412	SDANIYUANPZCKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126648
O=C(Nc1nc2c(s1)CCCCC2)c1cnn(c2ccccc2F)c1C(F)(F)F	MCULE-6295521105,ZINC22_24832054,CoCoCo_4709646,EMOLS-id_18863032,PC-id_32149383	424.415	VAHLRWLOPKVYES-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126649
O=C(Nc1nc2c(s1)CCCCC2)c1cnn(c2ccc(F)cc2)c1C(F)(F)F	ZINC22_12740433,PC-id_25474063,MCULE-6630687920,EMOLS-id_18822497,CoCoCo_4684345	424.415	DTEDKVAOLLNJBW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126650
N#Cc1c(F)ccc(c1F)NC(=O)c1n(C)cc2c1CC[C@@H](NS2(=O)=O)[C@@H](O)C	SCHEMBL18352849	424.422	IKLMXABNCQYCPE-TVQRCGJNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126651
N#Cc1c(F)ccc(c1F)NC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)[C@@H](O)C	PC-id_140762760	424.422	IKLMXABNCQYCPE-LLTODGECSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126652
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])C#N	PC-id_38860586	424.43	RIXUDMYGLLABIX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-126653
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)c2c(C1=O)ccc([N+](=O)[O-])c2)C#N	PC-id_27010452	424.43	DWHBAFBKCRZJHO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-126654
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C3CC3)C)CC2)cc1	PC-id_42461752	424.44	LTJLIYUOONYTSQ-CYBMUJFWSA-O	00100000100000110101000000000010000000000000000000000000	31-01-126655
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C3CC3)C)CC2)cc1	PC-id_42461759	424.44	LTJLIYUOONYTSQ-ZDUSSCGKSA-O	00100000100000110101000000000010000000000000000000000000	31-01-126656
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)C3CC3)C)CC2)cc1	PC-id_74805497	424.44	LTJLIYUOONYTSQ-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-126657
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)Nc2scc(n2)c2cnn(C)c2)n1	PC-id_46968183,CoCoCo_491144,SYN-19990759,MCULE-1323115193,ZINC22_19717720,EMOLS-id_30433521	424.443	XMWVTGDPIGXHSR-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-126658
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1C(=O)O	PC-id_72423616	424.443	DCZPPVIIPHWVAV-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126659
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)O)ccc1	PC-id_72423680	424.443	NBIXIAQQWKXLNU-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126660
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1C(=O)O	PC-id_58786123,SCHEMBL14590152	424.443	DCZPPVIIPHWVAV-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-126661
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)O)ccc1	SCHEMBL14590099,PC-id_58786194	424.443	NBIXIAQQWKXLNU-IFPLKCGESA-N	00000010100010110110100000000010000000000000000000000000	31-01-126662
s1c2CCCCCc2nc1NC(=O)Cc1c(n2nc(nc2nc1C)C(F)(F)F)C	PC-id_16622904	424.443	ZVGDRACPSNJTDQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-126663
CC1(c2c(C[C@@H](C(=O)N1)NC(=O)OC(C)(C)C)n(cn2)C(=O)OC(C)(C)C)C(=O)O	SCHEMBL20750830,PC-id_137506226	424.448	BRQGGRXWSMQUBK-IHBJSSOOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126664
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(n2nc(cc2)C(=O)OCC)cc1	PC-id_56036193	424.453	CZGWXRBEKALXHD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126665
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1C(NNC1)c1ccccc1)C#N	PC-id_76239955	424.516	ZULRCXNVVDZNIE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-126779
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(n2nc(cc2)C(=O)OCC)ccc1	PC-id_55688468	424.453	HCTKRMQKSDBHAD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126666
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(NC(=O)C(n2ncnc2)C)cc1	PC-id_55652206	424.456	VDUKGTHXRZBKSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126667
CC(C)CCNC(=O)c1cnc2n1CCN(CC2)Cc1cc(ccc1)OC(F)(F)F	PC-id_134809233	424.46	YNVLHTKIODVZLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126668
FC(F)(F)c1cc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)CC(C)C)ccc1	PC-id_56401211	424.46	JYBCJSRNEZQKMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126669
CCOc1cc(ccc1OC(F)F)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-6704519291,EMOLS-id_43872949,PC-id_29911344	424.461	JCGIDKKPJUBDKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126670
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OC(F)F)cc1	PC-id_43004088	424.461	MROQPRHMVDVOBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126671
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(OC(F)F)c(OC)cc1	PC-id_52625737	424.461	YTTDCRDTXUCOOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126672
CCNC(=NCc1ccc(cc1)OCC(F)(F)F)NCc1nnc2n1CCCCC2	PC-id_111871369	424.463	VCGULXGIPORRNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126673
CCNC(=NCc1ccccc1OC(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111847949	424.463	BSJSKADPWRINPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126674
CN=C(NCc1ccc(cc1)OCC(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111871535	424.463	FINKUCGZHRCHLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126675
CN=C(NCc1ccccc1OC(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111848391	424.463	AXGKYYCRKGLPGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126676
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1)COCC(F)(F)F	PC-id_111856824	424.463	BMTXWDPCTRAZHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126677
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1OCC(F)(F)F)C	PC-id_109607242	424.463	DUCGTQNLOSTROY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126678
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N1CCN(CC1)Cc1cn(nc1)C	PC-id_19527749	424.463	ONDSIDSPPFQRGM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-126679
COCS1(=O)N[C@@H](C)CCc2c1cn(c2C(=O)Nc1ccc(c(c1F)C#N)F)C	SCHEMBL21337418	424.465	YPRSIAMSQHSHFG-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-126680
Cc1ccc(NC(=O)C2CCc3nn(CCOc4ccccc4)c(=O)n3CC2)cc1F	EMOLS-id_207876623,MCULE-1565537774	424.468	GEYBOWHUHLCQLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126681
COc1ccccc1CNC(=O)C1CCCCc2nn(Cc3cccc(F)c3)c(=O)n12	EMOLS-id_207869758,MCULE-7752544087	424.468	FMWMCJMOVZQACB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126682
COc1ccc(CNC(=O)C2CCCCc3nn(Cc4cccc(F)c4)c(=O)n23)cc1	EMOLS-id_207869508,MCULE-9692092613	424.468	KBHZWCVIRPXWNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126683
COCCN1CCNc2c(C1=O)n(c(n2)COc1cc(ccc1)F)Cc1ccccc1	PC-id_134805610	424.468	UWUDXWJTNOXILH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126684
Fc1c(OCC(NC(=O)Cn2nc3n(CCCCC3)c2=O)c2ccccc2)cccc1	PC-id_55799790	424.468	ZEYLJGYFRNYXCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126685
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1cc2OCOc2cc1)C#N	PC-id_4647629	424.47	PKTCGIUZZYRAML-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-126686
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1cc2OCOc2cc1)C#N	PC-id_6174790	424.47	PKTCGIUZZYRAML-VQHVLOKHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-126687
c1(C(=O)NC(C)Cc2cc(n[nH]2)C)cn2c(CCN(CC2)C(=O)c2ccc(cc2)F)n1	MCULE-7050260942,EMOLS-id_331101990	424.471	YNPNZXZVRFHXBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126688
Cc1cc(C[C@H](C)NC(=O)c2cn3c(n2)CCN(C(=O)c2ccc(F)cc2)CC3)n[nH]1	ZINC22_1875247289	424.471	YNPNZXZVRFHXBD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126689
Cc1cc(C[C@@H](C)NC(=O)c2cn3c(n2)CCN(C(=O)c2ccc(F)cc2)CC3)n[nH]1	ZINC22_1875247290	424.471	YNPNZXZVRFHXBD-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126690
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCc2c(n(nc2C)C)C)cc1	PC-id_50797856	424.471	UILHICJBMXYHGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126691
Fc1c(CN2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)cc(OC)cc1	PC-id_45165942	424.471	UBYMFODRBQIIMT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-126692
SCC/C=C/[C@@H]1CC(=O)NCc2occ(n2)C(=N[C@@H](C(=O)NCC(=O)O1)C)OC	PC-id_143928827	424.471	MZMGNJLRUZHKCB-PEUWTNGOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-126693
O(C(=O)c1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)c3occc3)CC2)cc1)C	PC-id_42440115	424.473	FRDQCGBKUYGKBM-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126694
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1oc(Cn2nccc2)cc1)C#N	PC-id_55646821	424.473	INBRWMGYLBPKSK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-126695
Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)nc2n1	CoCoCo_3020769,MCULE-4217439313,PC-id_2428674,EMOLS-id_3116329,ZINC22_3312874	424.476	CYTNOOCELDEFFF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-126696
CCC[NH+](Cc1nnc(o1)c1ccco1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135707693	424.476	HNEVVVWAAVPVNE-NXVVXOECSA-O	00000000101000000101100000000010000000000000000000000000	31-01-126697
o1c(nnc1c1occc1)C[NH+](CCC)CC(=O)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78754447	424.476	XSWNDHQULFOLAG-UHFFFAOYSA-O	00000011101000000111100000000010000000000000000000000000	31-01-126698
o1c(nnc1c1occc1)C[NH+](CCC)CC(=O)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_8689396	424.476	XSWNDHQULFOLAG-HMMYKYKNSA-O	00000011101000000111100000000010000000000000000000000000	31-01-126699
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1nn2c(ccnc2n1)C)C)C#N	PC-id_55419391	424.476	RHVDCZHIIPBDKO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-126700
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2c(s1)CCCCC2	PC-id_18281791,ZINC22_15001476,ChEMBL-DNDi_CHEMBL1364544,MCULE-9210512553,CHEMBL1364544,CoCoCo_3357465,EMOLS-id_18869084	424.48	ZARHSESVLWULSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126701
O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc2c(s1)CCCCC2	EMOLS-id_35719674,PC-id_53513246,ZINC22_65547725,MCULE-2959325141	424.48	WLJFRVTYLRJHIM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126702
s1c2CCCCCCc2cc1C(=O)Nc1c(ccc(c1)C(=O)NCC(F)(F)F)C	PC-id_55784516	424.48	UBJSFDDAOMAAFI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126703
s1c2CCCCCc2nc1NC(=O)C1CCN(CC1)c1ncc(cc1)C(F)(F)F	PC-id_24611792	424.483	XZMSDKMIOXZIJL-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-126704
Cc1cc(c(c(c1N=C(C)c1c2-c(ccccc2)[nH]c1=O)F)N1CCCN(CC1)C)F	PC-id_136478243	424.486	BOZHBVBZHOQCLS-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-126705
CCOc1ccc(cc1[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1cc2-c(c1)ccccc2	PC-id_58786129,SCHEMBL5274542	424.486	XGWPKWYDEIJBCC-RXFVIIJJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126706
CN1CCCN(CC1)c1c(F)cc(c(c1F)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076549	424.486	BOZHBVBZHOQCLS-JVWAILMASA-N	00000010100000110111100000000010000000000000000000000000	31-01-126707
COCc1cc(Cc2cc3-c(c2)ccccc3)cc(c1)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	SCHEMBL5278466,PC-id_58786227	424.486	QSKRDMTZWLKVGB-RXFVIIJJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126708
COCc1ccc(cc1[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1cc2-c(c1)ccccc2	SCHEMBL14590146,PC-id_58786128	424.486	PIAUSGFLSMNTHT-RXFVIIJJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126709
O1C([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OCC	PC-id_10251763	424.486	XGWPKWYDEIJBCC-BIFUOPDKSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126710
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OCC	PC-id_72423622	424.486	XGWPKWYDEIJBCC-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126711
O1C(C(O)C(O)C(O)C1CO)c1c(ccc(c1)Cc1cc2-c(c1)ccccc2)COC	PC-id_72423621	424.486	PIAUSGFLSMNTHT-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126712
O1C(C(O)C(O)C(O)C1CO)c1cc(cc(c1)COC)Cc1cc2-c(c1)ccccc2	PC-id_72423710	424.486	QSKRDMTZWLKVGB-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-126713
Fc1ccc(cc1)NC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccccc1O	PC-id_145968239	424.488	DUYWKNPGCCTTMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126714
OC(CN1CCN(CC1)Cc1c2-c(oc1=O)ccccc2)c1cc(OC)c(OC)cc1	PC-id_10320147	424.49	ZRQBBSMQYOJMRX-UHFFFAOYSA-N	00000010100010110111000000000010000000000000000000000000	31-01-126715
Fc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_42501152	424.491	MZOJOYDOUJREQM-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126716
Fc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_42501154	424.491	MZOJOYDOUJREQM-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126717
Fc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_74808251	424.491	MZOJOYDOUJREQM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126718
Fc1cc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)ccc1	PC-id_42452834	424.491	CVKKKVZVQYJWCO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126719
Fc1c(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)cccc1	PC-id_42162272	424.491	RTYXCAHMXDVRGD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126720
O=C(COc1ccccc1)NCCc1nnc2n1CC[N@@H+](CC2)Cc1cccc(c1)F	GD-id_ZINC12035560	424.491	IGSRBSHVGCYBRQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126721
S(c1cc(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccc(F)cc2)ccc1)C	PC-id_53086343	424.491	TXFVWZBUJFPQGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126722
Cc1cc(CNC(=O)C2CCc3nn(CCOc4ccccc4)c(=O)n3CC2)n(C)n1	MCULE-4005344695,EMOLS-id_207876704	424.496	KXBZNMCCEXTPOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126724
Cc1nccn1CCNC(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	MCULE-8480860758,EMOLS-id_207876692	424.496	NBFIBESIMRDGQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126725
C=CCOc1ccccc1CN1CCc2n(CC1)c(nn2)CNC(=O)C1CCC(=O)N1	ChEMBL-DNDi_CHEMBL86080503	424.496	GCYVDFCUULVBSC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126726
CCN(C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)CC(=O)Nc1ccc(cc1)OC	PC-id_135582625	424.496	DSLNMZWPSOMENE-HNENSFHCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126727
CN(C(=O)C1CCn2c(CC1)nn(c2=O)Cc1c(C)noc1C)CCc1ccccn1	MCULE-7387387997,EMOLS-id_207876764	424.496	UOKXIAINLRTKDS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-126728
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)CNC(=O)[C@@H]1CCC(=O)N1	CoCoCo_1478572,CoCoCo_1478574	424.496	ZFOMIAGFOXBMJG-KVLZDYKBSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126729
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)CNC(=O)[C@H]1CCC(=O)N1	CoCoCo_1478578,CoCoCo_1478576	424.496	ZFOMIAGFOXBMJG-LHRDXKRPSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126730
COc1ccc(/C=C/CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)cc1	EMOLS-id_26013339,PC-id_45226094	424.496	ZFOMIAGFOXBMJG-NSCUHMNNSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126731
COc1ccc(/C=C/CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1	CoCoCo_1478579,PC-id_26334897,CoCoCo_1478577,ZINC22_14979244	424.496	ZFOMIAGFOXBMJG-ZMUQKWFASA-N	00000010100000110101000000000010000000000000000000000000	31-01-126732
COc1ccc(/C=C/CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)cc1	ZINC22_14979240,CoCoCo_1478575,PC-id_26334893,CoCoCo_1478573	424.496	ZFOMIAGFOXBMJG-DCKQQPRJSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126733
n12CCN(CCc1nnc2CNC(=O)C1CCC(=O)N1)CC=Cc1ccc(cc1)OC	MCULE-3252158660,PC-id_74497726	424.496	ZFOMIAGFOXBMJG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126734
o1c(CN2CCn3c(nnc3CC2)C(NC(=O)c2ncccc2)C(C)C)ccc1CO	PC-id_45176284	424.496	KTSBJAQGKFVJOJ-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-126735
OCc1ccc(o1)CN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1166042,CoCoCo_1166041	424.496	KTSBJAQGKFVJOJ-HXUWFJFHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-126736
OCc1ccc(o1)CN1CCc2n(CC1)c(nn2)[C@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1166043,CoCoCo_1166044	424.496	KTSBJAQGKFVJOJ-FQEVSTJZSA-N	00000000101000101101000000000010000000000000000000000000	31-01-126737
O=C(C(=C1N2CCCCCC2=NN1)C#N)CN(CC)CC(=O)Nc1ccc(OC)cc1	PC-id_78682985	424.496	JFEGYGJXPYUZLN-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-126738
O=C(/C(=C
/N2CCCCCC2=NN1)/C#N)CN(CC)CC(=O)Nc1ccc(OC)cc1	PC-id_8388806	424.496	JFEGYGJXPYUZLN-RELWKKBWSA-N	00000011000000110111000000000010000000000000000000000000	31-01-126739
O=C(N1CCN(CC1)C)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_42854958	424.496	RBHMQKPYWIUMPD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126740
O=C(NCc1n2CCN(CCc2nn1)C/C=C/c1c(OC)cccc1)C1NC(=O)CC1	PC-id_45211138	424.496	QRIKLHQXTXVLTN-GQCTYLIASA-N	00000010100000110101000000000010000000000000000000000000	31-01-126741
O=C(NCc1n2CCN(CCc2nn1)CC=Cc1c(OC)cccc1)C1NC(=O)CC1	PC-id_75100536	424.496	QRIKLHQXTXVLTN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126742
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)N	ZINC22_16047983,EMOLS-id_5565370,GD-id_ZINC16047983,ChEMBL-DNDi_CHEMBLF2536-1264,MCULE-5289156162,PC-id_16799534,CoCoCo_5138227	424.509	SQUZHIZIMGGJKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126743
c1(ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN(CC)CC)/C(=O)N2)F	SCHEMBL13415482,BindingDB_PC-id_25113814,PC-id_25113814,CHEMBL1276981	424.511	DIWNHTDZEZGKJK-JXAWBTAJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-126744
CCN(CC)CCN1CCCc2c(C1=O)c(c([nH]2)C=C1c2c(ccc(c2)F)NC1=O)C	PC-id_90985515	424.511	DIWNHTDZEZGKJK-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-126745
c1(c2CCCCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccc(cc1)OCC	BAS-00486759,CoCoCo_81741,ChEMBL-DNDi_CHEMBL5578291,MCULE-9890847954,ZINC22_1104438,PC-id_1284312,EMOLS-id_1230953,NSC731220	424.513	FZMHRYXBRJNCIW-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-126746
c1(c2CCCCCc2sc1NC(=O)c1ccco1)C(=O)Nc1ccccc1OCC	MCULE-1369250752,TIMTEC337106,EMOLS-id_2765623,CoCoCo_1731289,PC-id_1255210,ZINC22_1066086	424.513	NNTHCYUBMOKJNN-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-126747
c1(NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCCCCC2)c1C(=O)OC	CoCoCo_1849738,PC-id_4340925,MCULE-4110301447,ZINC22_2755568,EMOLS-id_4107689,TIMTEC135750	424.513	DXDYBXQOYAORNB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126748
s1c2c(CCCCC2)c(c1NC(=O)c1c(noc1C)c1ccccc1)C(=O)OCC	PC-id_3539715	424.513	STEMAPBKUIAYIX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126749
s1c2CCCCCc2c(c1NC(=O)CCC(=O)OCC(=O)c1ccc(cc1)C)C#N	PC-id_19059648	424.513	HVVNTWSSEFOWLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126750
s1c2c(CCCCC2)c(c1NC(=O)CCN1C(=C)c2c(C1=O)cccc2)C(=O)OC	PC-id_52638632	424.513	MBRVTJQHQSTRIK-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-126751
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1ccc(OCC)cc1)C#N	PC-id_24379352	424.513	VNGRWIYEMGVDEU-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126752
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1ccc(OCC)cc1)C#N	PC-id_74266783	424.513	VNGRWIYEMGVDEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126753
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1c(OCC)cccc1)C#N	PC-id_24377431	424.513	WXBQCVCHVNGSFX-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126754
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1c(OCC)cccc1)C#N	PC-id_74266459	424.513	WXBQCVCHVNGSFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126755
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCC(=O)c1ccc(cc1)C)C#N	PC-id_55306093	424.513	BJRMCILKGABNON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126756
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1cc2CCCc2cc1)C#N	PC-id_4426745	424.513	WLMQNPQZBNXRPK-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-126757
c1(C(=O)NCCn2c(CN(C)C)cc(c3ccccc3F)n2)c2CCCCCc2n[nH]1	EMOLS-id_403178,ZINC22_19583481,AOP-22643788,PC-id_92606570,MCULE-4285837772	424.514	PDOSDQIPTPZNLK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126758
c1(C(=O)Nc2sc(c(C(=O)OC)n2)CCc2ccccc2)c2CCCCCc2[nH]n1	MCULE-5448235814,EMOLS-id_323255994	424.516	GCZRCSAMSMCVBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126759
s1c2c(CCCCC2)c(c1NC(=S)N(CCCCC)CCCCC)C(=O)OC	PC-id_19653346	424.663	FVALPWMUJSJNKG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-127001
n12CCN(CCc1nn(Cc1ccccc1)c2=O)S(=O)(=O)c1ccc2c(CCC2)c1	EMOLS-id_97099639,MCULE-9421865792	424.516	DURNWENPHVEHLF-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-126760
o1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)ccc1CC	PC-id_42193080	424.516	KUVDLXPMZVONHX-QGZVFWFLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126761
o1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)ccc1CC	PC-id_42193081	424.516	KUVDLXPMZVONHX-KRWDZBQOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126762
o1c(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)ccc1CC	PC-id_74777959	424.516	KUVDLXPMZVONHX-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126763
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(occ3)C)C)CC2)cc1)C)C	PC-id_42169089	424.516	QLMKDKXDGMKREY-MRXNPFEDSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126764
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(occ3)C)C)CC2)cc1)C)C	PC-id_42169090	424.516	QLMKDKXDGMKREY-INIZCTEOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126765
O(c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(occ3)C)C)CC2)cc1)CC	PC-id_42449296	424.516	ZNHDCOVQXPGFBY-MRXNPFEDSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126766
O(c1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(occ3)C)C)CC2)cc1)CC	PC-id_42449297	424.516	ZNHDCOVQXPGFBY-INIZCTEOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126767
O(c1c(cc(C[NH+]2CCn3c(nnc3CNC(=O)c3c(oc(c3)C)C)CC2)cc1)C)C	PC-id_42364550	424.516	AGAAGNAKTOPIEP-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126768
O(c1c(cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(occ3)C)C)CC2)cc1)C)C	PC-id_74780739	424.516	QLMKDKXDGMKREY-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126769
O(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(occ3)C)C)CC2)cc1)CC	PC-id_74804060	424.516	ZNHDCOVQXPGFBY-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126770
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)cccc1	PC-id_42449612	424.516	FLMVCIGUARIARS-GOSISDBHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126771
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)cccc1	PC-id_42449614	424.516	FLMVCIGUARIARS-SFHVURJKSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126772
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)cccc1	PC-id_74804103	424.516	FLMVCIGUARIARS-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-126773
O=C(c1ccc(cc1)OCc1nccn1C)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_45898918,CoCoCo_4918768,MCULE-2344931833,EMOLS-id_44119849	424.516	OFDDYUNNLPGNCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126774
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1onc(n1)c1ccc(cc1)C	PC-id_24503535	424.516	QBNCJVPJHDOHKP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126775
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCc1oc(nn1)c1ccccc1	PC-id_40394286	424.516	NTGXXALLNSTCSF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126776
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCc1onc(n1)c1ccccc1	PC-id_24554133	424.516	PMKPONNYJCQNNH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126777
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc(N2CCOC2=O)ccc1)C)C#N	PC-id_55630138	424.516	OEZVJIQHRFMVKP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-126778
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1nn(c2ccc(OC)cc2)cc1	PC-id_56023779	424.516	CVQUADKJOKSYGY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126780
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1oc(nn1)c1ccccc1	PC-id_46656789	424.516	VCMDRLSGXBSASF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126781
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1onc(n1)c1ccccc1	PC-id_46656657	424.516	SILOWVSFCTYPEP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126782
s1c2CCCCCCc2nc1NC(=O)c1nn(CCOc2ccccc2)c(=O)cc1	PC-id_56021082	424.516	VSRVCFWHPMCXHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126783
Cc1c(C#N)c(NC(=O)CSc2nnc3n2CCCCC3)n(Cc2ccco2)c1C	CoCoCo_3968335,EMOLS-id_11714685,ZINC22_9711968,MCULE-3697105050,PC-id_16295138	424.519	ZMMQEFOHNDRYLH-UHFFFAOYSA-N	00000000111000000101000000000010000000000000000000000000	31-01-126784
Cc1ncnc(C(=O)N2CCc3nc(C(=O)NCc4cccs4)n(C)c3CC2)c1C	EMOLS-id_313769678,ZINC22_1565556834	424.519	ZMJDGAPTUKZZPN-UHFFFAOYSA-N	00000000100100100101000000000010000000000000000000000000	31-01-126785
n12CCN(CCc1nnc2CNC(=O)c1ccncc1)C(=O)CCCc1cccs1	ZINC22_12164688,MCULE-8621768032,PC-id_42439841,EMOLS-id_29554146	424.519	NMYLJHLOFGIDSY-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-126786
s1c2CCCCCc2cc1C(=O)NNC(=O)NC(c1ccc(n2ncnc2)cc1)C	PC-id_78888744	424.519	XFLFDCXIKBGFJZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126787
s1c(CCC(=O)N2CCn3c(nnc3CCNC(=O)c3cccnc3)CC2)ccc1	PC-id_28346662	424.519	MSANALWSGXQGJU-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-126788
s1cc(nc1NC(=O)c1ccccc1)CC(=O)NCCc1n2CCCCCc2nn1	PC-id_55536102	424.519	YHDYPBGIUCRDBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126789
c1(NC(=S)Nc2ccc(cc2F)F)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC185232,ZINC22_17094044,MCULE-7329919709,CoCoCo_6800645,PC-id_3303076,EMOLS-id_4107765	424.528	HALLXKYBBXNEHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126790
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(F)c(F)cc1)C(=O)OCC	PC-id_20409428	424.528	UXIQCRIWPSZPIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126791
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(F)ccc(F)c1)C(=O)OCC	PC-id_20409502	424.528	CAPCVGWVZJDGSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126792
c1(c2CCCCCc2sc1NCc1cccc(F)c1)C(=O)Nc1ccc(cc1)OC	SPECS-id_AP-064/40658006,MCULE-7467869177,PC-id_1818467,EMOLS-id_22050057,ZINC22_2182445,CoCoCo_6968264	424.531	ZJBRREHUCMPNAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126793
[O-]C(=O)c1cc(c2-c1ccccc2)CCCCCCCNS(=O)(=O)c1ccccc1	GD-id_ZINC13826271	424.533	IMHLAEYEOCNFEF-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-126794
[O-]C(=O)c1cc(c2-c1cc(ccc2)C(C)C)CCCCNS(=O)(=O)c1ccccc1	GD-id_ZINC13826292	424.533	FVJGHRIUWXUWEO-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-126795
[O-]C(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCCS(=O)(=O)Nc1ccccc1	GD-id_ZINC29404452	424.533	RSARHIXNYFJZPC-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-126796
CO[C@H]1CN(CCc2c([C@@H]1OC)n(nn2)C(C)(C)C)C(=O)CCC(=O)OC(C)(C)C	PC-id_118284565,SCHEMBL16980286	424.534	AOSXXSPZSUUZLJ-HNAYVOBHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126797
Fc1cccc(c1)C(=O)NCc1nnc2n1CC[N@@H+](CC2)CC1=CC[C@H]2C[C@@H]1C2(C)C	GD-id_ZINC11974836,PC-id_42325675	424.534	MCTKULCGGMFTRV-ICSRJNTNSA-O	00001000100011110101001000000010000000000000000000000000	31-01-126798
Fc1cc(C(=O)NCc2n3CC[NH+](CC4=CCC5C(C4C5)(C)C)CCc3nn2)ccc1	PC-id_74843464	424.534	MCTKULCGGMFTRV-UHFFFAOYSA-O	00001000100011110101001000000010000000000000000000000000	31-01-126799
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)C(=O)OCC)C(=O)OC	PC-id_8932295	424.534	IBWFLIOWNCRLQF-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-126800
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](CC(=O)N1CCOCC1)C)C(=O)OC	PC-id_8711536	424.534	QWFQZXHZONVBHX-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-126801
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(OC)c(OC)cc1	PC-id_26952095	424.534	LNOCORNREBKVNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126802
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)ccc(OC)c1	PC-id_26952094	424.534	ZFGUCQRUWIPRMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126803
COc1ccccc1N1CCN(CC1)CCCCn1ccc2c1C(=O)N(C)CCC2=O	SCHEMBL6984158,PC-id_10622256	424.536	ADZGSOLKRCXVKP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126804
C=CC1CC(=O)NCc2scc(n2)/C(=N/C)/SCC(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL12724283	424.538	YILXOTMBXNJZKO-AVSVLDOSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126805
CC(C)NC(=O)N(C)C[C@H]1OCc2cnnn2CCCC(=O)N(C[C@H]1C)[C@H](C)CO	BindingDB-id_197821,PC-id_44494936,BindingDB_PC-id_44494936,CHEBI:97031	424.538	NAXYJFNCLMAYPS-JFIYKMOQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126806
CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc2n1CCCCC2	PC-id_16249446,EMOLS-id_3482356,ZINC22_13147876,CoCoCo_3081669,MCULE-7760297061	424.538	XXHAIEFHAFUIGZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-126807
Cn1c2CCN(CCc2nc1C(=O)NCc1cccs1)C(=O)CCS(=O)(=O)C	ZINC22_1565556450,EMOLS-id_313769422	424.538	UDFFRRMEMMPXKH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-126808
CNS(=O)(=O)c1cc(n(c1)C)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_29980369,PC-id_36942389,CoCoCo_4383731,MCULE-3893250369	424.538	WZCRVUYMVRFESF-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-126809
N1=C(CCC(=O)N1C1CCS(=O)(=O)C1)C(=O)Nc1sc2c(CCCCCC2)n1	SYN-20045188,MCULE-7524980656,EMOLS-id_30439043,PC-id_46971504	424.538	GUAZAVFJRIIUQM-UHFFFAOYSA-N	00000010100011000101100000000010000000000000000000000000	31-01-126810
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)NC(C)C	CHEBI:113402,PC-id_44486362	424.538	UNRRBHFUILMFRI-XYJFISCASA-N	00000000100000000101000000000010000000000000000000000000	31-01-126811
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)NC(C)C	CHEBI:95975,PC-id_44485758	424.538	UNRRBHFUILMFRI-JFIYKMOQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126812
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)NC(C)C	PC-id_44485071,CHEBI:113339	424.538	UNRRBHFUILMFRI-JZXOWHBKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126813
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)NC(C)C	PC-id_44486363	424.538	UNRRBHFUILMFRI-RYRKJORJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126814
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)NC(C)C	PC-id_44486967,CHEBI:96057	424.538	UNRRBHFUILMFRI-SOLBZPMBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126815
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)NC(C)C	PC-id_44487418	424.538	UNRRBHFUILMFRI-NUJGCVRESA-N	00000000100000000101000000000010000000000000000000000000	31-01-126816
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)NC(C)C	PC-id_44488700,SCHEMBL17487108,CHEBI:95938	424.538	UNRRBHFUILMFRI-BQFCYCMXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126817
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)NC(C)C	PC-id_44488701	424.538	UNRRBHFUILMFRI-LZLYRXPVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126818
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)NC(C)C	CHEBI:113331,CHEMBL1876723,PC-id_44492579	424.538	NAXYJFNCLMAYPS-LZLYRXPVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126819
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)NC(C)C	CHEBI:113380,PC-id_44494076	424.538	NAXYJFNCLMAYPS-NUJGCVRESA-N	00000000100000000101000000000010000000000000000000000000	31-01-126820
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)NC(C)C	PC-id_44493069	424.538	NAXYJFNCLMAYPS-SOLBZPMBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126821
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)NC(C)C	PC-id_44493578	424.538	NAXYJFNCLMAYPS-BQFCYCMXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126822
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)NC(C)C	PC-id_44495436	424.538	NAXYJFNCLMAYPS-XYJFISCASA-N	00000000100000000101000000000010000000000000000000000000	31-01-126823
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)NC(C)C	PC-id_44495960	424.538	NAXYJFNCLMAYPS-RYRKJORJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126824
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)NC(C)C	PC-id_44495961	424.538	NAXYJFNCLMAYPS-JZXOWHBKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126825
O=C(Nc1nc2c(s1)CCCCCC2)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1	PC-id_51583237,ZINC22_19014956,CoCoCo_496607	424.538	GUAZAVFJRIIUQM-GFCCVEGCSA-N	00000010100011000101100000000010000000000000000000000000	31-01-126826
O=C(Nc1nc2c(s1)CCCCCC2)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1	PC-id_51583238,ZINC22_19014958,CoCoCo_496608	424.538	GUAZAVFJRIIUQM-LBPRGKRZSA-N	00000010100011000101100000000010000000000000000000000000	31-01-126827
S1CC(=O)NC(C(C)C)C(=O)OC(CC(=O)NCc2scc(n2)C1=NC)C=C	PC-id_77469900	424.538	YILXOTMBXNJZKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126828
S1CC(=O)N[C@@H](C(C)C)C(=O)OC(CC(=O)NCc2scc(n2)C1=NC)C=C	PC-id_68364827	424.538	YILXOTMBXNJZKO-NBFOKTCDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-126829
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(O)cc1)C(C)C)C	PC-id_74494333	424.538	KYCQEZSTDUCVIQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126830
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1c(O)ccc(OC)c1)C(C)C)C	PC-id_74804274	424.538	YANZOOFLZTZIAJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126831
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1c(O)c(OC)ccc1)C(C)C)C	PC-id_74501267	424.538	XLFXTCPQECXYFE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126832
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(O)cc1)C(C)C)C	PC-id_26280388	424.538	KYCQEZSTDUCVIQ-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126833
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(O)cc1)C(C)C)C	PC-id_26280390	424.538	KYCQEZSTDUCVIQ-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126834
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(O)ccc(OC)c1)C(C)C)C	PC-id_42451718	424.538	YANZOOFLZTZIAJ-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126835
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(O)ccc(OC)c1)C(C)C)C	PC-id_42451720	424.538	YANZOOFLZTZIAJ-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126836
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(O)c(OC)ccc1)C(C)C)C	PC-id_26354602	424.538	XLFXTCPQECXYFE-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126837
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(O)c(OC)ccc1)C(C)C)C	PC-id_26354606	424.538	XLFXTCPQECXYFE-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126838
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCN(CC1)C)c2)Cc1cccc(C)c1	PC-id_53086393,MCULE-1469371422,EMOLS-id_32633218	424.539	OELOMNKTPHGTJJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126839
CC(C)c1ccc(cc1)CN1CCc2ncc(n2CC1)C(=O)NCCN1CCNC1=O	PC-id_134805156	424.539	LGGROPXGGMWPNP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126840
CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)cc1	EMOLS-id_20684241,ChEMBL-DNDi_CHEMBL75759494,PC-id_45236650,MCULE-6845500412	424.539	ZEKFVUJNOHMNTE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126841
CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1	CoCoCo_1546241,CoCoCo_1546242,ZINC22_20270996	424.539	ZEKFVUJNOHMNTE-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126842
CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)cc1	ZINC22_20270994,CoCoCo_1546239,CoCoCo_1546240	424.539	ZEKFVUJNOHMNTE-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-126843
CN1CCN(CC1)CCCNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	CoCoCo_2544515,PC-id_20964718,CoCoCo_2544516	424.539	KFLBIFIURIHGMV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126844
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)C(=O)CC1CCCCC1	ZINC22_11839990,MCULE-2413859357,PC-id_42211659,EMOLS-id_20389770,CoCoCo_1118106	424.539	IGPXGJRSCLJDMW-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-126845
N#Cc1c(NC(=O)CSc2nnc(o2)c2ccccc2C)sc2c1CCCCC2	PC-id_112777752	424.539	IDIBLIWONSNLQD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126846
N#Cc1c(NC(=O)CSc2nnc(o2)c2ccc(cc2)C)sc2c1CCCCC2	PC-id_112782892	424.539	FPNIPSMKRXYHRR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126847
O=c1n2CCCCCc2nn1CC(=O)Nc1cc2c(n(CCN(CC)CC)cc2)cc1	PC-id_56233886	424.539	VUDDIBGGMVLVGC-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-126848
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(N2CCN(CC3CC3)CC2)ccc1	PC-id_56043240	424.539	SEAPZCVYHKATRM-UHFFFAOYSA-N	00100000100010110101100000000010000000000000000000000000	31-01-126849
O=C1N(CCCn2nc(cc12)C(=O)NCCN1CCN(CC1)CC)Cc1ccccc1	PC-id_50798090	424.539	WVLKONPTRCZWIC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126850
O=C(N1CCC(CC1)C)c1ccc(NC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_60545869	424.539	QIZSYLSPNDQYCA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126851
s1c2CCCCCc2c(c1NC(=O)Cn1nc(c2sc(cc2)C)ccc1=O)C#N	PC-id_56239089	424.539	YYLCIELTZFMTAJ-UHFFFAOYSA-N	00000000100100100101100000000010000000000000000000000000	31-01-126852
s1c2CCCCCc2c(c1NC(=O)CSc1nc(c(cc1C#N)C(=O)C)C)C#N	PC-id_24441637	424.539	NFIRAWWDVKOLGR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-126853
s1c2CCCCCc2c(c1NC(=O)C(Sc1oc(nn1)c1ccccc1)C)C#N	PC-id_24496592	424.539	SGSYPALQVIMZDF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126854
s1c2CCCCCCc2c(c1NC(=O)CSc1oc(nn1)c1ccccc1)C#N	PC-id_4160538	424.539	GDOUUOKUVOVPNE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126855
Cc1ccccc1n1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_2410011,MCULE-4622241737,ZINC22_3294418,EMOLS-id_3083268,CoCoCo_2859241	424.542	VPLYTYJAPPNIIV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126856
C[C@H](Sc1nnnn1c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25718107,ZINC22_13121254,CoCoCo_4170313	424.542	UNSZQCMBKAMFGK-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126857
C[C@@H](Sc1nnnn1c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41188366,CoCoCo_4170312,ZINC22_9725913	424.542	UNSZQCMBKAMFGK-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126858
Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccncc1	EMOLS-id_3080877,MCULE-9520931319,PC-id_2406462,CoCoCo_3073713,ZINC22_3290868	424.542	MVMVJKXAHARZRB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-126859
N#Cc1c(NC(=O)CCSc2nnnn2c2ccccc2)sc2c1CCCCC2	EMOLS-id_11796501,CoCoCo_3565902,MCULE-2912556685,ZINC22_14129658,PC-id_16351567	424.542	IBVRSUUIFDLGML-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126860
N#Cc1c(NC(=O)C(Sc2nnnn2c2ccccc2)C)sc2c1CCCCC2	PC-id_16327904,EMOLS-id_11763818,MCULE-1295599170	424.542	UNSZQCMBKAMFGK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126861
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cccnc1)C)C#N	PC-id_20126778	424.542	AQZRYKHZJMMNCS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-126862
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ncccc1)C)C#N	PC-id_20126994	424.542	LNOAULTVOBCPES-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-126863
s1c2CCCCCc2c(c1NC(=O)CSc1n(N)c(nn1)c1ccccc1)C#N	PC-id_78763196	424.542	QFRGSABJJDSXGL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126864
s1c2CCCCCc2c(c1NC(=O)CSc1n(nnn1)c1ccc(cc1)C)C#N	PC-id_27160112	424.542	XTACITOLQWZPNV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126865
s1c2CCCCCc2c(c1NC(=O)CSc1n(nnn1)c1cc(ccc1)C)C#N	PC-id_27195205	424.542	QVRQILPZZBVMEA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126866
s1c2CCCCCc2c(c1NC(=O)CSc1n(nnn1)Cc1ccccc1)C#N	PC-id_27136053	424.542	WXQLPOGPMPUXCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126867
s1c2CCCCCCc2c(c1NC(=O)CSc1n(nnn1)c1ccccc1)C#N	PC-id_4122098	424.542	XICAMHMBHSSKNX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126868
s1c(c2OCC(CC)(CC)COc2c1C(O)c1ccccc1)C(O)c1ccccc1	PC-id_12148666	424.552	LEXQWECLGWTZOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126869
c1(c2CCCCCc2sc1NCc1ccc(C)o1)C(=O)Nc1ccccc1OCC	CHEMBL1596821,SCHEMBL10077927,PC-id_1321842,EMOLS-id_2176878,MCULE-2670534129,ZINC22_1151659,CoCoCo_842216	424.556	ARFWFBRBFXKHNO-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-126870
c1(c2CCCCCc2sc1NCc1ccc(C)o1)C(=O)Nc1ccc(cc1)OCC	CoCoCo_2720543,CHEMBL1437300,SCHEMBL10077273,PC-id_3601605,MCULE-7764579330,EMOLS-id_16406292	424.556	MZYDOUHOJGUWCE-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-126871
CC(NS(=O)(=O)c1ccccc1)CCc1cc2-c(c1C(=O)N)ccc(cc2)C(C)C	PC-id_67877359,SCHEMBL9558826	424.556	ZQXPBHHLDKNQMT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-126872
COC(=O)c1c(NC(=O)CN2CC=C(c3ccccc3)CC2)sc2c1CCCCC2	ZINC22_5944208,MCULE-2132026717,CoCoCo_3575406,EMOLS-id_3283237,PC-id_3886741,CoCoCo_3575405	424.556	NAJOOCQKCGGQMV-UHFFFAOYSA-N	00000000100011110100100000000010000000000000000000000000	31-01-126873
NC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCCNS(=O)(=O)c1ccccc1	SCHEMBL9558823,PC-id_67877358	424.556	XSYUQZANMQVYKV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-126874
P(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)(c1ccccc1)c1ccccc1	PC-id_85970982	424.557	BOOZCHGDVBXEDI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-126875
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(scc1)C(=O)OC)C(=O)OC	PC-id_19655471	424.557	BJMNALJUNSWIER-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-126876
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)C1(OCCO1)C	PC-id_30377019	424.557	XHNVNWUFKVJKRS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-126877
c1(NC(=O)CCC(=O)NCCc2c3ccccc3n(C)c2)sc2c(CCCCC2)n1	EMOLS-id_335047592,MCULE-4593935411	424.559	UELLQOSFYPAHEF-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-126878
Cc1cccc(NC(=O)CN(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)c1C	MCULE-8152668602,CoCoCo_3589772,EMOLS-id_24156030,PC-id_25707905,ZINC22_13096352,CoCoCo_3589771	424.559	DBRNXJGLBSPATB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126879
Cc1ccc(NC(=O)CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	CoCoCo_3573067,ZINC22_13059576,PC-id_25693491,CoCoCo_3573066,EMOLS-id_24162688,MCULE-1348923067	424.559	HQCPORXSLXKMHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126880
CC(C)C(=O)Nc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	CoCoCo_4226436,PC-id_25392083,ZINC22_12606678	424.559	JWFSWUYQISVWQK-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126881
CC(C)C(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC22_12606677,PC-id_25392082,CoCoCo_4226437	424.559	JWFSWUYQISVWQK-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126882
COc1ccccc1N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	CoCoCo_3564232,CoCoCo_3564233,ZINC22_34867467,EMOLS-id_3453257,PC-id_4800220,MCULE-3368839391	424.559	PWDOHOWWPCITGD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126883
COc1ccc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)cc1	EMOLS-id_3434317,CoCoCo_2855610,PC-id_4797027,MCULE-3107281037,ZINC22_34864623,CoCoCo_2855609	424.559	JVPFFVWAZSQDRD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126884
N#Cc1c(NC(=O)CCN2CCN(c3ccccc3O)CC2)sc2c1CCCCC2	ZINC22_7433830,CoCoCo_3569127,EMOLS-id_11721939,CoCoCo_3569126,MCULE-2358805520,PC-id_8528565	424.559	ZBZGJRTXNFPTHX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126885
N#Cc1c(NC(=O)CCN2CCN(c3ccc(O)cc3)CC2)sc2c1CCCCC2	ZINC22_57293348,CoCoCo_3566679,CoCoCo_3566678,EMOLS-id_11817540,PC-id_8690023,MCULE-5993123970	424.559	HDZJDFFHSJJUTC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126886
N#Cc1c(NC(=O)C(Nc2ccc(cc2)NC(=O)C(C)C)C)sc2c1CCCCC2	PC-id_45354894,MCULE-1212650642,EMOLS-id_16785076	424.559	JWFSWUYQISVWQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126887
N#CCCN(c1ccc(c(c1)C)N=Nc1sc2c(c1C(=O)OC)CCCCC2)CC	PC-id_102065703	424.559	HRLZEXOLYSVQKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126888
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCCCCC)C(=O)OCC	PC-id_19651164	424.663	APZWWKGGFQFRCO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-127002
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1ccc(cc1)C(=O)NC)C)C#N	PC-id_9123549	424.559	UOUBDXSDSUPZOT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126889
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)c1ccc(O)cc1)C)C#N	PC-id_9276880	424.559	SWWLDJAPRUDEGT-INIZCTEOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126890
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CCN(CC1)c1ccc(O)cc1)C)C#N	PC-id_9276883	424.559	SWWLDJAPRUDEGT-MRXNPFEDSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126891
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)c1c(O)cccc1)C)C#N	PC-id_9432771	424.559	LJOINFCSPKMGGQ-INIZCTEOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126892
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CCN(CC1)c1c(O)cccc1)C)C#N	PC-id_9432775	424.559	LJOINFCSPKMGGQ-MRXNPFEDSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126893
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)c1ccc(O)cc1)C)C#N	PC-id_55430507	424.559	SWWLDJAPRUDEGT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126894
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(OC)ccc1)C#N	PC-id_2698444	424.559	FPCWVQUKQYZATJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126895
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)c1c(O)cccc1)C)C#N	PC-id_85008636	424.559	LJOINFCSPKMGGQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126896
s1c2CCCCCc2c(c1NC(=O)CN(CC(=O)Nc1c(cccc1C)C)C)C#N	PC-id_2699983	424.559	NUBSYHVOOHTEPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126897
s1c2CCCCCc2c(c1NC(=O)CN(CC(=O)Nc1c(ccc(c1)C)C)C)C#N	PC-id_4818634	424.559	IPCBKVDNYJQOKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126898
s1c2CCCCCc2c(c1NC(=O)CN(CC(=O)Nc1c(CC)cccc1)C)C#N	PC-id_46562820	424.559	JWLKTVGKYNFOII-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-126899
s1c2CCCCCCc2cc1C(=O)Nc1cc2[nH]c(nc2cc1)CN1CCOCC1	PC-id_56080357	424.559	WSMRMSRQRWTJSV-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-126900
S(c1n2CCCCCc2nn1)CC(=O)c1c(n(c(c1)C)c1ccc(OCC)cc1)C	PC-id_7876582	424.559	JAOPKAKFOQKMKU-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-126901
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3cccs3)CCn12	MCULE-3413586636,EMOLS-id_20547093,PC-id_45204228	424.562	CQNWNUOAQGTHBD-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-126902
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3cnc(c4ccccc4)s3)CCn12	PC-id_45191593,MCULE-1986888787,EMOLS-id_20491569	424.562	IHLVIRNPCJHOPQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126903
Cc1cc(C)nc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)n1	EMOLS-id_48273491,PC-id_75430115,MCULE-9121087049,ZINC22_95427826	424.562	DADHFRAQCNVJIH-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-126904
CC(C)(C)c1cc(NC(=O)CSc2nnc3n2CCCCC3)n(c2ccccc2)n1	MCULE-3816127492,CoCoCo_3081779,EMOLS-id_3466452,ZINC22_6906323,PC-id_4804336	424.562	VMIIRNHEHOLVDT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126905
CC(CC(c1nnc2n1CCN(CC2)Cc1cscc1)NC(=O)c1cccnc1)C	EMOLS-id_20654783,PC-id_45229607,MCULE-9800641160	424.562	RSORIAPCDYRQLJ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-126906
CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1cccs1)CC2	CoCoCo_1339290,ZINC22_12190944,CoCoCo_1339289	424.562	CQNWNUOAQGTHBD-LJQANCHMSA-N	00000000100100101101000000000010000000000000000000000000	31-01-126907
CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1cccs1)CC2	CoCoCo_1339291,ZINC22_12190945,CoCoCo_1339292	424.562	CQNWNUOAQGTHBD-IBGZPJMESA-N	00000000100100101101000000000010000000000000000000000000	31-01-126908
CC(C[C@H](c1nnc2n1CCN(CC2)Cc1cscc1)NC(=O)c1cccnc1)C	CoCoCo_1500987,CoCoCo_1500988	424.562	RSORIAPCDYRQLJ-LJQANCHMSA-N	00000000100100101101000000000010000000000000000000000000	31-01-126909
CC(C[C@@H](c1nnc2n1CCN(CC2)Cc1cscc1)NC(=O)c1cccnc1)C	CoCoCo_1500989,CoCoCo_1500990	424.562	RSORIAPCDYRQLJ-IBGZPJMESA-N	00000000100100101101000000000010000000000000000000000000	31-01-126910
CC(C)C(=O)NCCc1nnc2CCN(Cc3nc(cs3)c3ccccc3)CCn12	MCULE-9059680388,CoCoCo_1167189,PC-id_42167978,CoCoCo_1167188,EMOLS-id_20426153,ZINC22_11787575,ChEMBL-DNDi_CHEMBL15285230	424.562	YKLHHRMVCFIPPT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126911
CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	CoCoCo_1259064,CoCoCo_1259063,PC-id_42366015,ZINC22_12034720	424.562	IHLVIRNPCJHOPQ-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126912
CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	ZINC22_12034716,CoCoCo_1259065,CoCoCo_1259066,PC-id_42366011	424.562	IHLVIRNPCJHOPQ-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126913
N#Cc1c(NC(=O)CN(CC2CCCN2c2cccnn2)C)sc2c1CCCCC2	PC-id_86894766	424.562	SCFYDVSYVOHQJL-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-126914
O=c1n(CN2CCN(Cc3csc(c4ccccc4)n3)CC2)nc2n1CCCCC2	PC-id_39999906,CoCoCo_4743043,EMOLS-id_24055194,CoCoCo_4743044,ZINC22_32771181,MCULE-4710580966	424.562	NXVDJFINNHWKRW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126915
s1c2CCCCCCc2nc1NC(=O)Cc1c(n(nc1C)c1nc(cc(n1)C)C)C	PC-id_56022495	424.562	IDOOSAILNZJQAC-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-126916
S(CC(=O)NCCc1n2CCCCCc2nn1)c1n(c2cc(cc(c2)C)C)ccn1	PC-id_55483570	424.562	NSIFMWJVLYXTBC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-126917
Cn1c(COc2cccc(c2)c2ccccc2)c(c2c1CC=CC=C2)CN1CCCCC1	PC-id_141862226	424.577	MCZARTNFZPHBLK-UHFFFAOYSA-N	00000000100010110110100000000010000000000000000000000000	31-01-126918
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+]CCCN1CCOCC1)C(=O)OCC	PC-id_28439174	424.577	LGCRDGQQXXIVKI-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-126919
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](CC(=O)NC(C)(C)C)CC)C(=O)OC	PC-id_8796771	424.577	VMAMHAMAFAESIP-UHFFFAOYSA-O	00000000100000000100000000000010000000000000000000000000	31-01-126920
c1(c2CCCCCc2sc1N=Cc1cccs1)C(=O)Nc1ccccc1OCC	PC-id_41271131,MCULE-2527535969	424.579	BVAPOZRVXKBNLJ-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-126921
c1(c2CCCCCc2sc1N=Cc1sccc1C)C(=O)Nc1ccc(cc1)OC	PC-id_5210535,MCULE-7016854761	424.579	KEWAXVQQALAOGV-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-126922
c1(c2CCCCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccccc1CC	CoCoCo_737020,CK1370501,ChEMBL-DNDi_CHEMBL6078540,ZINC22_709409,SPECS-id_AG-205/13866034,MCULE-1253168138,EMOLS-id_2124056,PC-id_1038501	424.579	RDECSRYBTOWCNS-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-126923
c1(c2CCCCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccc(cc1C)C	EMOLS-id_2387116,MCULE-9928058188,ZINC22_722365,SPECS-id_AG-667/13796037,PC-id_1047320,CoCoCo_1731227,TIMTEC36388	424.579	DMOLYEJZLKNFRJ-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-126924
CCN(CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3n[nH]c4c3CCCCCC4)c2)C1	MCULE-9877868105,PC-id_110129969,ZINC22_19712217,BDF-23105884	424.579	ALJMJJJWRTUXFH-OFNKIYASSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126925
CCOc1ccccc1NC(=O)c1c2CCCCCc2sc1/N=C/c1cccs1	EMOLS-id_46388707,PC-id_16469637,CoCoCo_6250477,ZINC22_9907648	424.579	BVAPOZRVXKBNLJ-BUVRLJJBSA-N	00000000100100110100000000000010000000000000000000000000	31-01-126926
CCOc1ccccc1NC(=O)c1c(/N=Cc2cccs2)sc2c1CCCCC2	CoCoCo_6250478	424.579	BVAPOZRVXKBNLJ-IWIPYMOSSA-N	00000000100100110100000000000010000000000000000000000000	31-01-126927
COc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2sccc2C)cc1	PC-id_9612245,CoCoCo_6728546,ZINC22_101185176,EMOLS-id_46413559	424.579	KEWAXVQQALAOGV-ZVHZXABRSA-N	00000000100100110100000000000010000000000000000000000000	31-01-126928
COc1ccc(NC(=O)c2c(/N=Cc3sccc3C)sc3c2CCCCC3)cc1	CoCoCo_6728547,TIMTEC259225,ZINC22_15945617	424.579	KEWAXVQQALAOGV-OYKKKHCWSA-N	00000000100100110100000000000010000000000000000000000000	31-01-126929
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1C(CCC1)c1ccc(OC)cc1)C#N	PC-id_74596020	424.579	KNNNMOLBUNLMSX-UHFFFAOYSA-O	00000010100000110100100000000010000000000000000000000000	31-01-126930
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1[C@@H](CCC1)c1ccc(OC)cc1)C#N	PC-id_29519665	424.579	KNNNMOLBUNLMSX-NRFANRHFSA-O	00000010100000110100100000000010000000000000000000000000	31-01-126931
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1[C@H](CCC1)c1ccc(OC)cc1)C#N	PC-id_29519668	424.579	KNNNMOLBUNLMSX-OAQYLSRUSA-O	00000010100000110100100000000010000000000000000000000000	31-01-126932
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](CC1OCCC1)Cc1ccccc1)C#N	PC-id_75912363	424.579	KTAAZPVKMXGAIW-UHFFFAOYSA-O	00000010100000110100000000000010000000000000000000000000	31-01-126933
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](C[C@H]1OCCC1)Cc1ccccc1)C#N	PC-id_52733737	424.579	KTAAZPVKMXGAIW-IBGZPJMESA-O	00000010100000110100000000000010000000000000000000000000	31-01-126934
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](C[C@@H]1OCCC1)Cc1ccccc1)C#N	PC-id_52733739	424.579	KTAAZPVKMXGAIW-LJQANCHMSA-O	00000010100000110100000000000010000000000000000000000000	31-01-126935
s1c(NC(=O)CC[NH+](C2CC2)Cc2ccc(OC)cc2)c(c2CCCCCc12)C#N	PC-id_27082809	424.579	LGNILCUEJUXNRU-UHFFFAOYSA-O	00100000100000110100000000000010000000000000000000000000	31-01-126936
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(NS(=O)(=O)C)CC1	CoCoCo_4447925,PC-id_41819817,CoCoCo_4447926,ZINC22_11105176	424.581	SGFLPKDPYYKHSN-ZDUSSCGKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126937
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(NS(=O)(=O)C)CC1	CoCoCo_4447927,ZINC22_11105177,PC-id_41819819,CoCoCo_4447928	424.581	SGFLPKDPYYKHSN-CYBMUJFWSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126938
CS(=O)(=O)NC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	PC-id_41331855,ZINC22_10043174,CoCoCo_4433239,CoCoCo_4433238,MCULE-6706965259,EMOLS-id_31402903	424.581	KFSYVSQRBSJBLJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126939
N#Cc1c(NC(=O)C(N2CCC(CC2)NS(=O)(=O)C)C)sc2c1CCCCC2	EMOLS-id_16665752,PC-id_42929190,MCULE-8392976465	424.581	SGFLPKDPYYKHSN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-126940
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Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCN(C)C4)n3CC2)c1	CoCoCo_1199159,CoCoCo_1199160,CoCoCo_1199161,PC-id_26276907,CoCoCo_1199158,ZINC22_14881350	424.582	NSABDKKJEOAORU-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126946
Cc1ccc(C)c(CN2CCc3nnc(CCNC(=O)[C@H]4CCCN(C)C4)n3CC2)c1	CoCoCo_1467977,CoCoCo_1467979,CoCoCo_1467980,PC-id_26330519,CoCoCo_1467978,ZINC22_14974069	424.582	CJYZVHICUZNKIG-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126947
Cc1ccc(C)c(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCN(C)C4)n3CC2)c1	CoCoCo_1467981,PC-id_26330515,CoCoCo_1467983,CoCoCo_1467982,ZINC22_14974066,CoCoCo_1467984	424.582	CJYZVHICUZNKIG-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126948
Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCN(C)C4)n3CC2)c1	PC-id_26276909,CoCoCo_1199157,CoCoCo_1199156,CoCoCo_1199154,CoCoCo_1199155,ZINC22_14881351	424.582	NSABDKKJEOAORU-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126949
Cc1ccc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)C4CCN(C)CC4)n3CC2)c1	CoCoCo_1145239,CoCoCo_1145241,CoCoCo_1145238,CoCoCo_1145240,ZINC22_11972030	424.582	RZRSWHGYAAEMJB-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126950
Cc1ccc(C)c(CN2CCc3nnc([C@H](C)NC(=O)C4CCN(C)CC4)n3CC2)c1	CoCoCo_1145242,CoCoCo_1145245,CoCoCo_1145243,CoCoCo_1145244,ZINC22_11972036	424.582	RZRSWHGYAAEMJB-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-126951
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCN(C)CC4)n3CC2)c(C)c1	CoCoCo_1174556,CoCoCo_1174555,ZINC22_11977203,PC-id_28390318,CoCoCo_1174557,CoCoCo_1174554	424.582	RNGREIKVEGOTFA-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-126952
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCN(C)CC4)n3CC2)c(C)c1	PC-id_28390315,CoCoCo_1174551,ZINC22_11977197,CoCoCo_1174553,CoCoCo_1174552,CoCoCo_1174550	424.582	RNGREIKVEGOTFA-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126953
CC(C)(C)c1ccc(NC(=O)CN2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	EMOLS-id_11651471,CoCoCo_4573366,PC-id_16230767,MCULE-2652359412,ZINC22_23248578,CoCoCo_4573365	424.582	PJCKZKNUJJPEPP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126954
CC(CC(c1nnc2n1CCN(CC2)C/C=C/c1ccc(cc1)N(C)C)NC(=O)C)C	ChEMBL-DNDi_CHEMBL35790980	424.582	CXROKHSQGKAZFC-VOTSOKGWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126955
CCCCCc1ccc(NC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	PC-id_45890109,ZINC22_40103907,MCULE-6257660356,CoCoCo_4889345,EMOLS-id_30042794	424.582	HPGRXJIBLZVZQD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126956
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1nc2ccccc2s1	CoCoCo_4230475,PC-id_41082123,ZINC22_57286321,CoCoCo_4230474	424.582	FMSRAWDVUOJUCV-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-126957
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1nc2ccccc2s1	CoCoCo_4230476,CoCoCo_4230477,ZINC22_57286323,PC-id_41082127	424.582	FMSRAWDVUOJUCV-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-126958
CCN(CC)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1	ChEMBL-DNDi_CHEMBL10236465,EMOLS-id_20389536,CoCoCo_1117817,MCULE-4678606398,ZINC22_23128544,CoCoCo_1117816,PC-id_30851879	424.582	MQYJHOUJGKPQRM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-126959
CCNC(=NCc1ccc(cc1OC1CCCC1)C)NCc1nnc2n1CCCCC2	PC-id_109608926	424.582	FIBZVRAKIPYFPL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126960
CCNC(=NCc1ccc(cc1OCC1CC1)C)NCCc1nnc2n1CCCCC2	PC-id_109585919	424.582	GXYSQFISBBWJFQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126961
CCNC(=NCc1ccccc1OCC1CC1)NCCCc1nnc2n1CCCCC2	PC-id_111577269	424.582	XIFXZTJYPPQZTM-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126962
CCNC(=NCc1nnc2n1CCCCC2)NCC1CCCOC1c1ccc(cc1)C	PC-id_111620548	424.582	WJYKSIXCWLIXSF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126963
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(C1)COCc1ccccc1	PC-id_111526519	424.582	TYNOXTXAIUTUHW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126964
CCNC(=NCCc1nnc2n1CCCCC2)N1CCOC(C1)c1ccc(cc1C)C	PC-id_109522043	424.582	GSNBWVVLQGSUCS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126965
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)c1ccc(cc1)OC	PC-id_111732015	424.582	LSWDUCJEEWRHHQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-126966
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(CC1)Oc1ccccc1	PC-id_109426088	424.582	IEYOCUDJEQQTPB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126967
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCOC(C1)c1ccccc1C	PC-id_109480130	424.582	PJLIVVUBFNFAAK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126968
CN1CCC(CC1)C(=O)NC(c1nnc2n1CCN(CC2)Cc1cc(C)cc(c1)C)C	PC-id_45166098,ChEMBL-DNDi_CHEMBL21522248	424.582	WEYPBAYADNRTHO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126969
CN1CCCC(C1)C(=O)NCCc1nnc2CCN(Cc3cc(C)ccc3C)CCn12	EMOLS-id_20633029,MCULE-2670900438,PC-id_45224450,ChEMBL-DNDi_CHEMBL59810020	424.582	CJYZVHICUZNKIG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126970
CN1CCCC(C1)C(=O)NCCc1nnc2CCN(Cc3cc(C)cc(C)c3)CCn12	MCULE-3828336002,PC-id_45181765,EMOLS-id_20449179,ChEMBL-DNDi_CHEMBL18853628	424.582	NSABDKKJEOAORU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-126971
CN=C(N1CCC(C1)COCc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111527657	424.582	DCJXDDUSHBPDDL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-126972
CN=C(N1CCOC(C1)c1ccc(cc1C)C)NCCCc1nnc2n1CCCCC2	PC-id_109522251	424.582	RZFOSTLWMDUDSA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126973
CN=C(NCc1ccc(cc1OCC1CC1)C)NCCCc1nnc2n1CCCCC2	PC-id_109586179	424.582	LDULBYHGQMASQA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-126974
CN=C(NCC1CCCOC1c1ccc(cc1)C)NCCc1nnc2n1CCCCC2	PC-id_111620264	424.582	UJTWIKHXLZFLBG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-126975
N#Cc1c(NC(=O)C(N(Cc2nc3c(s2)cccc3)C)C)sc2c1CCCCC2	MCULE-4444022478,EMOLS-id_3699879,PC-id_16359436	424.582	FMSRAWDVUOJUCV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-126976
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)c1ccccn1	PC-id_112077546	424.586	BDBYPYQXXRKCID-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-126977
CN=C(NC1CCN(CC1)c1ccc(cn1)C)NCCCc1nnc2n1CCCCC2	PC-id_112079043	424.586	ACGFPXRPGUSURL-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-126978
CN=C(NC1CCN(CC1)c1cccc(n1)C)NCCCc1nnc2n1CCCCC2	PC-id_112081647	424.586	QSLUZYWQCGSYMR-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-126979
CN=C(NC1CCN(CC1)Cc1ccccn1)NCCCc1nnc2n1CCCCC2	PC-id_112076706	424.586	YRNLQSFGYJBARA-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-126980
C=CC/C(=C(C=C/CCCC1(COc2c(OC1)csc2)Cc1ccc(cc1)N)/N)/C	SCHEMBL19058168	424.599	LYZSYUIURXZBAL-CIBZXSEKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-126981
s1c(C(=O)N(C2CCN(CC2)C(=O)c2ccccc2)CCC)cc2c1CCCCC2	PC-id_56366020	424.599	ZPZZQKPGNVRROV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-126982
O=C(c1cc2c(s1)CCCCCC2)N1CCN(S(=O)(=O)c2cccs2)CC1	CoCoCo_3308346,PC-id_30794137,MCULE-3814073137,ZINC22_23038043,EMOLS-id_43838256	424.6	FDQCGOPBFTVXMI-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-126983
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1)c1sc(cc1)C	PC-id_24680688	424.6	CVKSDKJJDNPFDP-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-126984
CCC(N1CCCc2c(C1=N)ccs2)C1CCN(CC1)CCc1ccc(cc1)N=O	PC-id_141859767	424.602	ITXHVSIWIWMPGG-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-126985
CCN(c1ccc(c(c1)C)NC(=O)SCCc1nc2=CC=CCCC=c2n1C)CC	PC-id_142101961	424.602	RDLRBGIPFGPSHR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-126986
O=C(NC(c1n2CC[NH+](CCc2nn1)CC(=CC)C)CC(C)C)c1cc(cc(c1)C)C	PC-id_74779787	424.602	CGLNVWWRSCOJHW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126987
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=C(C)C)CC(C)C)c1cc(cc(c1)C)C	PC-id_74787073	424.602	LVHPXAHTECTCIK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126988
O=C(NCCc1n2CC[NH+](CCc2nn1)CCC(c1ccccc1)C)C1CCCCC1	PC-id_74845291	424.602	RYHXGNWUROLSLQ-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-126989
O=C(NCCc1n2CC[NH+](CCc2nn1)CC[C@@H](c1ccccc1)C)C1CCCCC1	PC-id_42348926	424.602	RYHXGNWUROLSLQ-FQEVSTJZSA-O	00000000100010110101000000000010000000000000000000000000	31-01-126990
O=C(NCCc1n2CC[NH+](CCc2nn1)CC[C@H](c1ccccc1)C)C1CCCCC1	PC-id_42348931	424.602	RYHXGNWUROLSLQ-HXUWFJFHSA-O	00000000100010110101000000000010000000000000000000000000	31-01-126991
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C(=C/C)/C)CC(C)C)c1cc(cc(c1)C)C	PC-id_42162197	424.602	CGLNVWWRSCOJHW-YVOIMTDZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126992
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C(=C/C)/C)CC(C)C)c1cc(cc(c1)C)C	PC-id_42162199	424.602	CGLNVWWRSCOJHW-BLJICVJPSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126993
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)CC=C(C)C)CC(C)C)c1cc(cc(c1)C)C	PC-id_42275103	424.602	LVHPXAHTECTCIK-JOCHJYFZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126994
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)CC=C(C)C)CC(C)C)c1cc(cc(c1)C)C	PC-id_42275105	424.602	LVHPXAHTECTCIK-QFIPXVFZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126995
CSc1ccc(cc1)C[N@H+]1CCn2c(CC1)nnc2[C@@H](C(C)C)NS(=O)(=O)C	GD-id_ZINC12031340	424.604	PZESXPQZCLTDAH-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-126996
O=CC1=C(C2=C(C1)C(=CC=C(C2Cc1c2-c(c(cc2)C)cc(cc1)C(C)C)C(C)C)C)C	PC-id_614907	424.617	RCPXPGWMAJMTGR-UHFFFAOYSA-N	00000011100000000110000000000110000000000000000000000000	31-01-126997
O=CC1=C(C2=C(C(=CC(C(=C2)C(C)C)Cc2c3-c(c(cc3)C)cc(cc2)C(C)C)C)C1)C	PC-id_614906	424.617	JGFYJGGVZVZZQK-UHFFFAOYSA-N	00000011100000000110000000000110000000000000000000000000	31-01-126998
CCCC(n1ncc2c1C=C(C)CCC(=C2)Oc1ccc(cc1)SC)CCC(C)C	PC-id_144405998	424.642	CUMCZGUSUFNTIM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-126999
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCCCCCC)C(=O)OC	PC-id_19651246	424.663	ILSGJOJXJDISQX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-127000
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCCCCC)C(=O)OC	PC-id_19651157	424.663	DUQCMAWEUAWUEQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-127003
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCCCC)C(=O)OCC	PC-id_19651069	424.663	GKCFXSMDNOKRPW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-127004
s1c2c(CCCCCC2)c(c1NC(=S)NCC(CCCC)CC)C(=O)OCC	PC-id_19651798	424.663	HQNUUCKNIZCUAO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-127005
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC(C)(C)C)(C)C)C(=O)OCC	PC-id_19652280	424.663	ACSSVBYJUCAWJA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-127006
s1c2c(CCCCCC2)c(c1NC(=S)NC(CCCC(C)C)C)C(=O)OCC	PC-id_19652453	424.663	NINDPFPYBNCBDG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-127007
s1c2c(CCCCCC2)c(c1NC(=S)N(CCCC)CCCC)C(=O)OCC	PC-id_19653191	424.663	HIKGNZIWOYTHLS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-127008
s1c2c(CCCCCC2)c(c1NC(=S)N(CC(C)C)CC(C)C)C(=O)OCC	PC-id_19653265	424.663	MUONOFVCXGIKQJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-127009
s1c2c(CCCCCC2)c(c1NC(=S)N(C(CC)C)C(CC)C)C(=O)OCC	PC-id_19653521	424.663	YFJMUOGSFKQLNZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-127010
O=C1CCN(C(=O)c2c1ccn2COCC[Si](C)(C)C)COCC[Si](C)(C)C	PC-id_11058980,SCHEMBL7847164	424.682	IYCHQCZUPACJGE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-127011
CCCCCCCCCCCCCCCCc1ccc2-c1c(OC)ccc(c2)C(C)C	PC-id_19815773,SCHEMBL9875198	424.702	BZDZYPBAVIEMNH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-127012
C1CSC2=C(SC1)SC(=CC=C1SC3=C(S1)SCCS3)S2	PC-id_101700605	424.754	RPCJFWWFIYLBFQ-UHFFFAOYSA-N	00000011000011000111000000010010000000000000000000000000	31-01-127013
N#Cc1c(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)sc2c1CCCCC2	ZINC22_3248227,EMOLS-id_43735790,CoCoCo_2961566,MCULE-1016758294,PC-id_2365411	424.849	VWOCDXXVHZGAHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127014
CCOC(=O)c1nc2c(s1)N(C(=O)c1cc(Cl)c(OC)c(OC)c1)CCCC2	ZINC22_84800545,MCULE-5774011316,EMOLS-id_42971698,PC-id_72040043	424.898	VSOWODKGOGXMOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127015
O=C(Nc1cccc(c1)Cl)NC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C	EMOLS-id_323881468,PC-id_146160727	424.902	RJBNZOQGELKUNZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-127016
CCOC(=O)c1c(NC(=O)[C@H]2CC(=CC[C@H]2C(=O)[O-])Cl)sc2c1CCCCC2	GD-id_ZINC02273700,PC-id_1899178	424.918	AGNVPCNTOKYBED-OCCSQVGLSA-M	00000000100011000100000000000010000000000000000000000000	31-01-127017
ClC1=CCC(C(C1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C(=O)[O-]	PC-id_73130014	424.918	AGNVPCNTOKYBED-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-127018
ClC1=CC[C@H]([C@@H](C1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C(=O)[O-]	PC-id_11861468	424.918	AGNVPCNTOKYBED-TZMCWYRMSA-M	00000000100011000100000000000010000000000000000000000000	31-01-127019
ClC1=CC[C@@H]([C@H](C1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C(=O)[O-]	PC-id_6581214	424.918	AGNVPCNTOKYBED-JSGCOSHPSA-M	00000000100011000100000000000010000000000000000000000000	31-01-127020
ClC1=CC[C@@H]([C@@H](C1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C(=O)[O-]	PC-id_6981200	424.918	AGNVPCNTOKYBED-GXTWGEPZSA-M	00000000100011000100000000000010000000000000000000000000	31-01-127021
OC[C@@H](c1ccccc1)OC(=O)c1n[nH]c2c1CCCCC2Cc1cccc(c1)Cl	PC-id_140169496	424.92	HQEHQSBDJWAOTQ-ZYZRXSCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127022
C1Cn2c(cnn2)COC[C@H](NC(=O)[C@H]1Cc1ccc(cc1)Cl)Cc1ccccc1	PC-id_134828877	424.923	CUUVABZIVHIFPC-TZIWHRDSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127023
C1Cn2c(cnn2)COC[C@@H](NC(=O)[C@H]1Cc1cc(ccc1)Cl)Cc1ccccc1	PC-id_134828891	424.923	SYWZHSYLBMHZQJ-CTNGQTDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127024
C1Cn2c(cnn2)COC[C@@H](NC(=O)[C@@H]1Cc1cc(ccc1)Cl)Cc1ccccc1	PC-id_134828894	424.923	SYWZHSYLBMHZQJ-FPOVZHCZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127025
Clc1ccc(c(c1)C)OC(C(=O)N1CCn2c(CC1)nnc2Cc1ccccc1)C	ChEMBL-DNDi_CHEMBL60203042	424.923	VLPVTLNEVRWOEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127026
Clc1ccc(C[C@H]2CCn3nnc(COC[C@@H](NC2=O)Cc2ccccc2)c3)cc1	PC-id_71759234	424.923	PRYQNHQAJUNPCJ-CTNGQTDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127027
Clc1ccc(C[C@@H]2CCn3nnc(COC[C@@H](NC2=O)Cc2ccccc2)c3)cc1	PC-id_71759959	424.923	PRYQNHQAJUNPCJ-FPOVZHCZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127028
Clc1ccc(C[C@H]2CCn3nnc(COC[C@H](NC2=O)Cc2ccccc2)c3)cc1	PC-id_71760859	424.923	PRYQNHQAJUNPCJ-TZIWHRDSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127029
Clc1ccc(CC(NC(=O)Cn2nc3n(CCCCC3)c2=O)c2ccccc2)cc1	PC-id_55921752	424.923	NCVPBGYXPBIHLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127030
Clc1cc(C[C@H]2CCn3nncc3COC[C@H](NC2=O)Cc2ccccc2)ccc1	PC-id_71759364	424.923	SYWZHSYLBMHZQJ-TZIWHRDSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127031
Clc1cc(C[C@@H]2CCn3nnc(COC[C@H](NC2=O)Cc2ccccc2)c3)ccc1	PC-id_71758967	424.923	AHMKEYWQJGIJBF-PZJWPPBQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127032
Clc1cc(C[C@@H]2CCn3nnc(COC[C@@H](NC2=O)Cc2ccccc2)c3)ccc1	PC-id_71759149	424.923	AHMKEYWQJGIJBF-FPOVZHCZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127033
Clc1cc(C[C@H]2CCn3nnc(COC[C@@H](NC2=O)Cc2ccccc2)c3)ccc1	PC-id_71759553	424.923	AHMKEYWQJGIJBF-CTNGQTDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127034
Clc1cc(C[C@H]2CCn3nnc(COC[C@H](NC2=O)Cc2ccccc2)c3)ccc1	PC-id_71760739	424.923	AHMKEYWQJGIJBF-TZIWHRDSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127035
Clc1ccc(COc2c(C(=O)NCCc3n4CCCCCc4nn3)cccc2)cc1	PC-id_52560177	424.923	YRGDRLFZLDIWFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127036
Clc1cc(COc2cc(C(=O)NCCc3n4CCCCCc4nn3)ccc2)ccc1	PC-id_56023293	424.923	RZUWBMRHGADZRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127037
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1	CK1738086,BAS-00486730,ZINC22_2062095,CoCoCo_81725,MCULE-9322634600,PC-id_1725968,SPECS-id_AG-690/12883406,EMOLS-id_1230921,TIMTEC538095	424.943	WYBOIPBVZHNCPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127038
c1(c2CCCCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)Cl	SPECS-id_AG-690/12883414,BAS-00486742,EMOLS-id_1230943,CK1188573,ZINC22_2062098,MCULE-9000439780,PC-id_1725971,CoCoCo_81736	424.943	BXLBWVMENNRRQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127039
Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1cc(s2)Cl	PC-id_142627630	424.943	PTGKZOLMZNGMSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127040
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1ccccc1C	PC-id_21467151,GLL_PC-id_21467151,SCHEMBL6986061	424.943	RJMSUNOMOCEELI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127041
Clc1cc(ccc1C(=O)N1CCCCc2c1ccs2)NC(=O)c1ccccc1C	PC-id_57014314,SCHEMBL8796809	424.943	GRCTWFSSNKNJIG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127042
Clc1cc(c(C(=O)Nc2ccc(C(=O)N3CCCCc4sccc34)cc2)cc1)C	PC-id_57219020	424.943	LCLBNEBYIKKMOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127043
Clc1cc(C(=O)N2CCCCc3sccc23)ccc1NC(=O)c1c(cccc1)C	PC-id_57121256	424.943	KLCURQMEWNNAEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127044
Clc1c(CC(=O)Nc2ccc(C(=O)N3CCCCc4sccc34)cc2)cccc1	SCHEMBL6986447,PC-id_9823701,GLL_PC-id_9823701	424.943	NKWKLRPFFQANPC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127045
Clc1c(C(=O)Nc2ccc(C(=O)N3CCCCc4sccc34)cc2)ccc(c1)C	PC-id_57320145	424.943	GIAAKRNTZDJJQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127046
NC(=O)Cc1ccc(cc1Cl)c1ccccc1C(=O)N1CCCCc2c1ccs2	PC-id_142627635	424.943	KAIARCKLVGWULE-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-127047
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccc(Cl)cc1C	EMOLS-id_97042132,MCULE-9759536259	424.945	UIXGILUSTFIPAI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-127048
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccc(Cl)c(C)c1	MCULE-5166957713,EMOLS-id_97042093	424.945	DWSWVCFOOTZOQG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-127049
C[C@H](c1nnc2n1CC[N@H+](CC2)Cc1ccccc1Cl)NC(=O)c1ccccc1C	GD-id_ZINC11971857	424.946	HOYXRQXCDCGTCM-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127050
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1OC	PC-id_19677577	424.965	NQIQFKPBPDJKRP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127051
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)c(OC)cc1	PC-id_20415122	424.965	GNUOUZUNYJPRDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127052
CCNC(=NCC(c1ccc(s1)Cl)O)NCCCc1nnc2n1CCCCC2	PC-id_111702094	424.991	ABSLXUWDZDKOCU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-127053
CC#CC(C1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)CC3=CC(=C(C=C3)C)C#N)O	PC-id_160871955	425.141	UMGODRPDIHPUGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127054
C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)CN4CCCCC4=O	MCULE-3186264931,EMOLS-id_317327407,PC-id_154773713	425.177	MKDPRMDQZPXCMB-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127055
Cc1cc(c(cc1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(c(c(n2)C)C)N(C1=O)C)F	PC-id_163759353	425.198	LWVLYRRSBHJCSL-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127056
Cc1c(c(ccc1)F)Cn1cnc(n1)C(=O)N[C@@H]1CCn2c(nc(c2N(C1=O)C)C)C	PC-id_163717514	425.198	KOQVDLAORTUOPQ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127057
O=C(Nc1ccc(cc1F)Br)CN1CCCn2c(C1=O)cc(n2)C(=O)O	PC-id_112707320	425.209	CGNWEGWYLBDZFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127058
CN1CCCC2=C(C1=O)C=CN2CCCCN3CCCCC3C(=O)C4=CC=C(C=C4)F	PC-id_154448996	425.248	NCPPTTYHCFNMCH-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127059
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCCC(=O)C3=C(C=C(C=C3)C)C	PC-id_155203765	425.268	WBVHLZZOLYHQFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127060
Brc1n(c2N(Cc3ccccc3)C(=O)CNC(=O)c2n1)Cc1ccccc1	SCHEMBL5989506,PC-id_10342337	425.279	OGYUTAHZNRVAHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127061
Brc1cc(CN(C(=O)Cn2nc3n(CCCCC3)c2=O)CC)c(F)cc1	PC-id_55593539	425.295	IWZVHEDSDNLPOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127062
CC(C)NC(=O)c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16102515,PC-id_86345838	425.309	QOGBHSQTOQPTIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127063
Clc1c(N2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ncc(Cl)c1	PC-id_55808201	425.312	WVOQLBUHTCVHLF-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-127064
Brc1c(C(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc(F)c1	PC-id_24487621,GD-id_ZINC12698360	425.315	NKTWRLOXEIGCRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127065
Brc1c(C(=O)NNC(=O)c2sc3CCCCCCc3c2)cc(F)cc1	GD-id_ZINC12698608,PC-id_24487626	425.315	GQGZEYHPJVVSSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127066
O=C(c1n(C)cc2c1OC[C@H](NS2(=O)=O)C(F)(F)F)Nc1ccc(c(c1)F)F	SCHEMBL18352785	425.33	UHVDATHFQWGHMK-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-127067
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)C(F)(F)F)Nc1ccc(c(c1)F)F	PC-id_140762752	425.33	UHVDATHFQWGHMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127068
CCOc1c(Br)cc(C(=O)Nc2nc3c(s2)CCCCC3)cc1OC	MCULE-8266752532,EMOLS-id_16791194,PC-id_25501703,GD-id_ZINC12775069,ZINC22_12775069,CoCoCo_4546136	425.34	STBIRUIVRPJNTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127069
Brc1c([nH]nc1C(=O)NNC(=O)c1sc2CCCCCc2c1)C(C)C	PC-id_56562152	425.343	JNCSGRASLMJFKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127070
Brc1c(n(nc1C)C)C(=O)NNC(=O)c1sc2CCCCCCc2c1	MCULE-9950480338,EMOLS-id_44146678,PC-id_47079333	425.343	JAOBNXNHXLSOFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127071
Brc1ccc(c2sc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_46518036	425.345	VXOXQNVLSNKAHE-NTCAYCPXSA-N	00000000100100110101100000000010000000000000000000000000	31-01-127072
Brc1ccc(c2sc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_75197666	425.345	VXOXQNVLSNKAHE-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-127073
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1cc(Cl)cc(c1)Cl)O	PC-id_109492518	425.355	CQZSCZBBQCTBDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127074
Clc1c(NC(=O)CN(C(=O)c2sc3CCCCCCc3c2)C)c(Cl)ccc1	PC-id_27807231	425.372	UJZUXMUJQIVMOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127075
Clc1sc(c(c1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2)Cl	PC-id_24449849,EMOLS-id_43904201,MCULE-1307377447	425.374	BLAMSFBJJVXYIN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-127076
CCOC(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(C)cc(c1)C(F)(F)F	PC-id_86345557,SCHEMBL16129819	425.402	OPMSPZLJWHQJTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127077
FC(F)(F)CNC(=O)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(cc1)C	PC-id_55785056	425.405	VURLDIWGNBVGNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127078
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)C[C@@H]1C[C@H](C1)C(F)(F)F	SCHEMBL18366795	425.408	CGORCEWFHXIECI-AVGNSLFASA-N	00001000100000000101000000000010000000000000000000000000	31-01-127079
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)C[C@@H]1C[C@@H](C1)C(F)(F)F	SCHEMBL18366822	425.408	CGORCEWFHXIECI-XQQFMLRXSA-N	00001000100000000101000000000010000000000000000000000000	31-01-127080
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)Nc1ccc(cc1)F)[N+](=O)[O-]	PC-id_89580177,SCHEMBL14965794	425.413	DTSMJVBGYPVOPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127081
n1nn2c(n1)CCCCC2.C1(=C([C@H](OC1=O)[C@@H](O)COC(=O)C1CCCNC1)O)O	CHEMBL3350452	425.436	HQJJLESKFIVDHU-OSCBIGMISA-N	00000011100010000101000000000010000000000000000000000000	31-01-127082
C1Cn2cc(nc2OCCN1CC(=O)N1CCN(CC1)c1ccc(cc1)C#N)[N+](=O)[O-]	PC-id_89580418,SCHEMBL14966123	425.441	CCRWKYGVKDTHRQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127083
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(c1c(OC)ccc(OC)c1)C	PC-id_19523724	425.445	VXGZLACKSHJRKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127084
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCc1cc(OC)c(OC)cc1	PC-id_19523620	425.445	RSTKSQHXAKHTIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127085
COCC(c1cccc(c1)C(F)(F)F)NC(=O)NCCc1nnc2n1CCCCC2	PC-id_86973202	425.448	IWXGQZUAGHGNAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127086
COCCC(=O)NC(C)c1nnc2CCN(Cc3cccc(c3)C(F)(F)F)CCn12	MCULE-7651107908,ChEMBL-DNDi_CHEMBL19513108,EMOLS-id_20453363,PC-id_45182755	425.448	BQRQKMYVTNXGHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127087
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	CoCoCo_1204953,CoCoCo_1204954,ZINC22_14882747	425.448	BQRQKMYVTNXGHL-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127088
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	CoCoCo_1204955,ZINC22_14882746,CoCoCo_1204956	425.448	BQRQKMYVTNXGHL-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127089
COc1ccc(c(c1)CN1CCn2c(CC1)nnc2CNC(=O)c1cccc(c1)F)O	ChEMBL-DNDi_CHEMBL19382622	425.456	QEULCIGDBFRFKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127090
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCCc1c(C)noc1C	PC-id_50797840,MCULE-3181740752,EMOLS-id_32846224	425.456	QSAPPKCDRGXYEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127091
c1(NC(=O)c2ccc(c3ccccc3N(=O)=O)o2)sc2c(CCCCC2)c1C(=O)N	MCULE-2081325506,EMOLS-id_2516594,PC-id_2236614,ZINC22_2884294,CoCoCo_568212	425.458	CGFUTKSYKJEJMY-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-127092
c1(NC(=O)c2ccc(c3cccc(c3)N(=O)=O)o2)sc2c(CCCCC2)c1C(=O)N	ZINC22_13946131,CoCoCo_6348804,MCULE-6332339056,EMOLS-id_4108756,PC-id_17018306,TIMTEC600152	425.458	ZPFIHXSTVVHUIU-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-127093
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C#N	PC-id_45697806	425.458	ZYFKXJCMISOIGI-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127094
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C#N	PC-id_77672753	425.458	ZYFKXJCMISOIGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127095
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1c([N+](=O)[O-])cccc1)C#N	PC-id_35687000	425.458	IJTVOWBMVLTYAZ-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127096
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1c([N+](=O)[O-])cccc1)C#N	PC-id_74643205	425.458	IJTVOWBMVLTYAZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127097
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cn1c2c(oc1=O)cccc2)C#N	PC-id_55310914	425.458	LVJZDSMZLNYOPA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127098
O=C1C(CCn2c(N1C)cc(n2)C(F)(C)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366664	425.459	OAXTTXHWMMRBKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127099
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(n2ccnc2)cc1	PC-id_40394280	425.461	QZHOYTONZQYLJO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127100
s1c2CCCCCc2cc1C(=O)NNC(=O)c1nn(c2cc([N+](=O)[O-])ccc2)cc1	PC-id_38427179	425.461	IACOAESWZXEKPW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127101
c1(NC(=O)CCC(=O)NCc2cccc(c2)C(F)(F)F)sc2c(CCCCC2)n1	EMOLS-id_335053997,MCULE-4841533221	425.468	AAVMRAADYSXCRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127102
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3cccc(F)c3F)CCn12	PC-id_45165628,EMOLS-id_232703065,MCULE-7020990777	425.474	QSXAODLDLZPLLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127103
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccc(cc3)C)CCn12	MCULE-9033688007,PC-id_45184631,EMOLS-id_20461457	425.474	FSMKVVGWSRPLQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127104
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3cccc(C)c3)CCn12	EMOLS-id_20401662,PC-id_45170796,MCULE-6132647768	425.474	IEFVMUWWAFLYNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127105
Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2	ZINC22_23129779	425.474	QSXAODLDLZPLLO-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127106
Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2	ZINC22_23129781	425.474	QSXAODLDLZPLLO-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127107
Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)c1	CoCoCo_1134063,PC-id_30853378,ZINC22_23129719,CoCoCo_1134062	425.474	IEFVMUWWAFLYNX-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127108
Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)c1	CoCoCo_1134064,PC-id_30853380,CoCoCo_1134065,ZINC22_23129721	425.474	IEFVMUWWAFLYNX-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127109
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1	CoCoCo_1216106,PC-id_28737740,ZINC22_20209114,CoCoCo_1216107	425.474	FSMKVVGWSRPLQS-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127110
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1	PC-id_28737742,ZINC22_20209118,CoCoCo_1216108,CoCoCo_1216109	425.474	FSMKVVGWSRPLQS-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127111
CCc1ccc(CN2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)cc1	CoCoCo_1247529,MCULE-2217531247,CoCoCo_1247530,PC-id_28957416,EMOLS-id_20483357,ZINC22_20454951	425.474	XIXOYEHZBGSDHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127112
CCOC(=O)c1n(Cc2ccccc2)c(c2c1C(=O)CC(CC2=O)(C)C)C(=O)OCC	PC-id_102178238	425.474	PPSPUVRRYUSVOT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127113
Fc1ccc(c(c1)C(=O)NC(c1nnc2n1CCN(CC2)Cc1ccccc1C)C)F	ChEMBL-DNDi_CHEMBL24730020,PC-id_45166218	425.474	MHLJYOBMAUHVDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127114
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4cccc(F)c4)CCn23)cc1	MCULE-2695406210,CoCoCo_1451008,EMOLS-id_20621979,CoCoCo_1451007,ZINC22_14964037,PC-id_26324304,ChEMBL-DNDi_CHEMBL56559053	425.474	OTOQIFZJLFQJCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127115
Fc1c(C(=O)N[C@@H](c2n3CCN(CCc3nn2)Cc2c(cccc2)C)C)cc(F)cc1	PC-id_28957499	425.474	MHLJYOBMAUHVDY-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127116
Fc1c(C(=O)N[C@H](c2n3CCN(CCc3nn2)Cc2c(cccc2)C)C)cc(F)cc1	PC-id_28957501	425.474	MHLJYOBMAUHVDY-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127117
OC([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(Nc1ccc(c(c1)C)F)O)C)C1CC1	SCHEMBL21337248,PC-id_139471249	425.474	LHXSQSRANQZFRQ-ZCGYKAAXSA-N	00100000100000110101000000000010000000000000000000000000	31-01-127118
COC(=S)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)Nc1cc2-c(c1)ccccc2	PC-id_143555178	425.476	CUHIGQBXLBBOMM-SFHVURJKSA-N	00000010100000110111100000000010000000000000000000000000	31-01-127119
Fc1cccc(c1)C(=O)NCc1nnc2CCN(CCn12)C(=O)/C=C/c1cccs1	CoCoCo_1460420,EMOLS-id_44853593,ZINC22_12049648,PC-id_42376997	425.479	ZWXVZBWGUVTQRV-VOTSOKGWSA-N	00000000100100110101000000000010000000000000000000000000	31-01-127120
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)C(=O)/C=Cc1cccs1	CoCoCo_1460421	425.479	ZWXVZBWGUVTQRV-SREVYHEPSA-N	00000000100100110101000000000010000000000000000000000000	31-01-127121
n12CCN(CCc1nnc2CNC(=O)c1cccc(F)c1)C(=O)C=Cc1cccs1	MCULE-7938283823,PC-id_74793165	425.479	ZWXVZBWGUVTQRV-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-127122
N#CC(c1nnc2n1CCCCC2)C(=O)c1sc(nc1C)COc1ccc(cc1)F	PC-id_112821790	425.479	DOVLOPSLJKNKCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127123
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(OC)cc1	PC-id_18273307	425.479	OLCUOZQMXIVGRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127124
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c([N+](=O)[O-])cc(OC)cc1	PC-id_24621832	425.479	REINSSMZVRVEEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127125
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])c(O)cc1	PC-id_40029618	425.479	UQYBBPBQPFOKKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127126
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(CO)o3)CCn12	PC-id_45248426,MCULE-2688441747,EMOLS-id_232787763	425.481	NWZVUKRZSSDHGH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127127
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3OC)OC)CCn12	ChEMBL-DNDi_CHEMBL10761749,MCULE-5272141933,PC-id_45168923,EMOLS-id_20393522	425.481	IYLJGTGNHWYQNV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127128
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3c(cccc3OC)OC)CCn12	PC-id_45181004,EMOLS-id_20445813,MCULE-7570770844	425.481	GVJPOBOOLYYTJC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127129
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(c(OC)c3)OC)CCn12	MCULE-3371236309,PC-id_45188930,ChEMBL-DNDi_CHEMBL24059596,EMOLS-id_20479915	425.481	SOMPBYVLMYIKMX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127130
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(OC)c3OC)CCn12	PC-id_45208455,ChEMBL-DNDi_CHEMBL41959472,EMOLS-id_20565397,MCULE-1450818460	425.481	LDVSXLVHXIIKSZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127131
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(OCCO)c3)CCn12	MCULE-9322745880,EMOLS-id_20397818,PC-id_45169915	425.481	LRIDYHXNJJWBRQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127132
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cc(OC)ccc3OC)CCn12	PC-id_45201318,MCULE-3309671338,EMOLS-id_20534327	425.481	NRHNNSIJJPOTOP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127133
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cc(OC)cc(OC)c3)CCn12	MCULE-5361779464,PC-id_45192342,EMOLS-id_20494867,ChEMBL-DNDi_CHEMBL26845211	425.481	IJIGMNGSPVAIGN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127134
c1(C(C)NC(=O)c2ccoc2C)nnc2CCN(Cc3cccc(OC)c3O)CCn12	PC-id_45183256,EMOLS-id_20455567,MCULE-9033521047	425.481	QIDPUSGLKFZPLU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127135
c1(C(C)NC(=O)c2ccoc2C)nnc2CCN(Cc3cc(OC)ccc3O)CCn12	PC-id_118755056,ChEMBL-DNDi_CHEMBL18833318,EMOLS-id_68877218,MCULE-8864431229	425.481	QOVHRZZPRAIJNR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127136
Cc1noc(C)c1CNC(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	MCULE-8417285960,EMOLS-id_207876701	425.481	HBUDFGQAQBTPPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127137
C[C@@H](C(=O)N1CCOCC1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332120	425.481	PSDWVSHQQAOJBP-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127138
C[C@H](C(=O)N1CCOCC1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332121	425.481	PSDWVSHQQAOJBP-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127139
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(OCCO)c1)CC2	ZINC22_11882477,CoCoCo_1128848,CoCoCo_1128849	425.481	LRIDYHXNJJWBRQ-MRXNPFEDSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127140
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(OCCO)c1)CC2	ZINC22_11882478,CoCoCo_1128851,CoCoCo_1128850	425.481	LRIDYHXNJJWBRQ-INIZCTEOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127141
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(CO)o1)CC2	CoCoCo_1142781,ZINC22_19739744,CoCoCo_1142782,PC-id_28309250	425.481	NJMIAVCYWGHESQ-MRXNPFEDSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127142
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(CO)o1)CC2	ZINC22_19739746,CoCoCo_1142784,CoCoCo_1142783,PC-id_28309251	425.481	NJMIAVCYWGHESQ-INIZCTEOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127143
CC(NC(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1)C(=O)N1CCOCC1	PC-id_46049568,EMOLS-id_25387158,MCULE-1831789784	425.481	PSDWVSHQQAOJBP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127144
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccc(CO)o3)CCn12	PC-id_45172322,MCULE-3401468631,EMOLS-id_20408300	425.481	NJMIAVCYWGHESQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127145
CCOc1cccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c1O	ChEMBL-DNDi_CHEMBL46594461,CoCoCo_1394580,EMOLS-id_20584039,CoCoCo_1394581,ZINC22_14995144,PC-id_26350641,MCULE-2936944818	425.481	KIQPNLWTNULCOX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127146
CCOc1cc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)ccc1O	CoCoCo_1374669,CoCoCo_1374670,PC-id_26344274,MCULE-9599680187,ZINC22_14989642,EMOLS-id_20570955,ChEMBL-DNDi_CHEMBL43303059	425.481	MELOUKMIKCHDIS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127147
CN(CC(=O)N1CCOCC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-2218102164,PC-id_46049575,EMOLS-id_25387578	425.481	IFNBTAFJTNSVAT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127148
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(CO)o3)CCn12	PC-id_28133788,CoCoCo_1421221,EMOLS-id_20602031,ZINC22_19300527,MCULE-1952176095,CoCoCo_1421222	425.481	PPHJVRSBEDJZCP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127149
COc1cccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c1OC	EMOLS-id_20558035,CoCoCo_1355565,MCULE-2651990340,PC-id_29258217,CoCoCo_1355566,ZINC22_20998989	425.481	ZHDQYEGNEFFYGI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127150
COc1cccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1OC	ZINC22_20783704,EMOLS-id_20521721,MCULE-9778520103,CoCoCo_1302779,PC-id_29153325,CoCoCo_1302780	425.481	XTAGAVVDLWLNKG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127151
COc1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1OC	PC-id_42501899,CoCoCo_1366341,ZINC22_12283619,CoCoCo_1366342	425.481	LDVSXLVHXIIKSZ-HNNXBMFYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127152
COc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c1OC	ZINC22_12283616,PC-id_42501897,CoCoCo_1366340,CoCoCo_1366339	425.481	LDVSXLVHXIIKSZ-OAHLLOKOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127153
COc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)c1O	CoCoCo_1207950,ZINC22_11995587,CoCoCo_1207951,PC-id_42340378	425.481	QIDPUSGLKFZPLU-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127154
COc1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)c1O	ZINC22_11995588,CoCoCo_1207953,CoCoCo_1207952,PC-id_42340380	425.481	QIDPUSGLKFZPLU-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127155
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(CO)o2)CC3)c1	ZINC22_15005128,CoCoCo_1619891,CoCoCo_1619890	425.481	NWZVUKRZSSDHGH-HNNXBMFYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127156
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(CO)o2)CC3)c1	ZINC22_15005131,CoCoCo_1619889,CoCoCo_1619888	425.481	NWZVUKRZSSDHGH-OAHLLOKOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127157
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1OC	PC-id_26278944,CoCoCo_1206043,CoCoCo_1206042,ZINC22_14882992,EMOLS-id_20454155,MCULE-7017300466	425.481	GZSMECAPKRMSEO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127158
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1OC	ZINC22_14970832,EMOLS-id_20629985,CoCoCo_1463226,MCULE-2606524330,PC-id_26328540,CoCoCo_1463227	425.481	QBJIBRVEWFTGNF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127159
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c(OC)c1	CoCoCo_1304907,ZINC22_20784549,PC-id_29153691,CoCoCo_1304908,EMOLS-id_20523099,MCULE-1553851066	425.481	JNPMVJGWBWVQOV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127160
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1OC	PC-id_42238598,ZINC22_11871641,CoCoCo_1242636,CoCoCo_1242635	425.481	SOMPBYVLMYIKMX-HNNXBMFYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127161
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1OC	ZINC22_11871639,PC-id_42238595,CoCoCo_1242633,CoCoCo_1242634	425.481	SOMPBYVLMYIKMX-OAHLLOKOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127162
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c(OC)c1	CoCoCo_1123098,ZINC22_11880581,CoCoCo_1123099,PC-id_42246397	425.481	IYLJGTGNHWYQNV-OAHLLOKOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127163
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c(OC)c1	PC-id_42246399,CoCoCo_1123100,ZINC22_11880582,CoCoCo_1123101	425.481	IYLJGTGNHWYQNV-HNNXBMFYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127164
COc1cccc(OC)c1CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	PC-id_28958051,MCULE-2606551989,ZINC22_20455814,CoCoCo_1251074,CoCoCo_1251073,EMOLS-id_20485871	425.481	DZEASCRPRDUFAS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127165
COc1cccc(OC)c1CN1CCc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC1	CoCoCo_1194388,ZINC22_14879690,CoCoCo_1194389,PC-id_26275628	425.481	GVJPOBOOLYYTJC-OAHLLOKOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127166
COc1cccc(OC)c1CN1CCc2nnc([C@H](C)NC(=O)c3ccco3)n2CC1	ZINC22_14879691,PC-id_26275630,CoCoCo_1194391,CoCoCo_1194390	425.481	GVJPOBOOLYYTJC-HNNXBMFYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127167
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc(OC)c1	CoCoCo_1263908,ZINC22_12038202,CoCoCo_1263907	425.481	IJIGMNGSPVAIGN-OAHLLOKOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127168
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc(OC)c1	CoCoCo_1263909,ZINC22_12038206,CoCoCo_1263910	425.481	IJIGMNGSPVAIGN-HNNXBMFYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127169
COc1ccc(OC)c(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1	ZINC22_14879886,EMOLS-id_20446621,CoCoCo_1195609,CoCoCo_1195610,ChEMBL-DNDi_CHEMBL18435773,MCULE-2955483250,PC-id_26275867	425.481	SDOHZFARJPHOOE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127170
COc1ccc(OC)c(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c1	CoCoCo_1320783,PC-id_42424696,ZINC22_12135236,CoCoCo_1320782	425.481	NRHNNSIJJPOTOP-OAHLLOKOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127171
COc1ccc(OC)c(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1	CoCoCo_1320784,CoCoCo_1320785,PC-id_42424698,ZINC22_12135239	425.481	NRHNNSIJJPOTOP-HNNXBMFYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127172
COc1ccc(O)c(CN2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)c1	ZINC22_299769580	425.481	QOVHRZZPRAIJNR-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127173
COc1ccc(O)c(CN2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)c1	ZINC22_299769582	425.481	QOVHRZZPRAIJNR-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127174
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccccc2OC)CC3)o1	CoCoCo_1394534,PC-id_26350616,MCULE-5791109727,EMOLS-id_20584017,CoCoCo_1394535,ZINC22_14995123	425.481	VPOIBXSHHIMTJR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127175
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cccc(OC)c2)CC3)o1	MCULE-9516698383,CoCoCo_1360751,EMOLS-id_20561583,PC-id_42501034,ZINC22_12281641,CoCoCo_1360752	425.481	OHRNPGUIILEDGO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127176
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(OC)cc2)CC3)o1	ZINC22_12200677,CoCoCo_1185750,PC-id_42459649,CoCoCo_1185749,MCULE-6645063489,EMOLS-id_20439329	425.481	VLUWOBXHNKOEFP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127177
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)Cc1cccc(OCCO)c1	ZINC22_19883991,MCULE-5901903667,CoCoCo_1502977,CoCoCo_1502976,PC-id_28429758,EMOLS-id_20656017	425.481	STLJYGYJYGNWBP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127178
O1C(CCC1)CNC(=O)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049589	425.481	WFGPTEQPXLTSCT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127179
O1CCN(CC1)C(=O)CNC(=O)c1nn2CCCN(Cc3cc(ccc3)C)C(=O)c2c1	PC-id_46049747	425.481	PGLGOGYJWARARY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127180
O1CCN(CC1)C(=O)CNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1	PC-id_46049777	425.481	NUHLLLALNTXPKW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127181
O1CCN(CC1)C(=O)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_46049690	425.481	UHERNJZOTUBMQL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127182
O=C1N(CCCN2CCN(CC2)c2ccc(cc2)[N+](=O)[O-])CCC(=O)c2c1ccn2C	PC-id_10717274,SCHEMBL6774507	425.481	FJNJAFASJHUACC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127183
O=C1NC(=O)CCC1(CC)c1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56015972	425.481	DSVBJEIAYDPGRP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127184
O=C(CNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NC[C@@H]1CCCO1	PC-id_93332466	425.481	WFGPTEQPXLTSCT-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127185
O=C(CNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NC[C@H]1CCCO1	PC-id_93332467	425.481	WFGPTEQPXLTSCT-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127186
O1CCN(CC1)Cc1[nH]c2c(n1)ccc(NC(=O)Cn1nc3n(CCCCC3)c1=O)c2	PC-id_56197843	425.484	HQTJPIMRVNSIBY-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-127187
c12CN(CCCn1nc(C#N)c2)C(=O)c1ccc(cc1)NCc1n(C)c2c(cccc2)n1	ZINC22_1506421566,MCULE-7551581999	425.486	ISESUWLRDYYGRK-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-127188
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1ncc(cc1)C(F)(F)F)C)C#N	PC-id_41541268	425.491	WOWPOFZPEAABJX-NSHDSACASA-N	00000000100000101100000000000010000000000000000000000000	31-01-127189
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1ncc(cc1)C(F)(F)F)C)C#N	PC-id_41541269	425.491	WOWPOFZPEAABJX-LLVKDONJSA-N	00000000100000101100000000000010000000000000000000000000	31-01-127190
s1c2CCCCCc2c(c1NC(=O)C(Sc1ncc(cc1)C(F)(F)F)C)C#N	PC-id_24558264	425.491	WOWPOFZPEAABJX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-127191
CC(C1NS(=O)(=O)c2c(C(C1C)C)c(n(c2)C)C(=O)Nc1ccc(c(c1)F)F)C	PC-id_139471407,SCHEMBL21337404	425.493	NWUVGCAZXQIVMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127192
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBLF2536-1852,EMOLS-id_5565732,MCULE-3979857500,PC-id_16799557,CoCoCo_5138511,ZINC22_16048032	425.494	MEHBHYMWERUIMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127193
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCn1ccc2c1C(=O)CCNC2=O	SCHEMBL6993415,PC-id_22011267	425.496	ASGSYKXZQAVJGE-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127194
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCn1ccc2c1C(=O)NCCC2=O	SCHEMBL9038607,PC-id_15229771	425.496	HDUZRCFVVGPJIS-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127195
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCn1cc2c(c1)C(=O)CCN(C2=O)C	PC-id_22011292,SCHEMBL6996563	425.496	HCMAGWFVXQDRGT-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127196
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCn1ccc2c1C(=O)CCN(C2=O)C	SCHEMBL6995041,PC-id_22011276	425.496	MONZTPVVYXDCAU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127197
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCn1ccc2c1C(=O)N(C)CCC2=O	SCHEMBL9040231,PC-id_15291636	425.496	BICGWOFKJRJYJI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127198
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)ccn2C	PC-id_22737986,SCHEMBL6773210	425.496	QZYXOJFLMKNZRU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127199
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)n(C)cc2	PC-id_10812306,SCHEMBL6992448	425.496	ZLOBJHAVJVLDKA-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127200
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(F)c3)CCn12	MCULE-3090927532,PC-id_45208734,EMOLS-id_20566595	425.499	OBZMPLULMLOMHK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127201
CCc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1	ChEMBL-DNDi_CHEMBL25374233,PC-id_29084519,EMOLS-id_20487005,MCULE-1404505703,ZINC22_20598355,CoCoCo_1252751,CoCoCo_1252750	425.499	DUESPPRGAXAUDZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127202
CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(F)c1)CC2	CoCoCo_1368078,CoCoCo_1368079,PC-id_26341830,ZINC22_14987275	425.499	OBZMPLULMLOMHK-LJQANCHMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127203
CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(F)c1)CC2	CoCoCo_1368081,ZINC22_14987277,CoCoCo_1368080,PC-id_26341833	425.499	OBZMPLULMLOMHK-IBGZPJMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-127204
O=C(NCc1cccc(c1)OC1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_86943228	425.567	WGJZDZJXFIELCG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127465
S1c2cn([C@@H](CCC(=O)N[C@@H](C1)C(=O)NCC(=O)O)C(=O)O)c(CCCCC)c2	PC-id_25022341	425.499	ATKNHDZGTAUMPL-GJZGRUSLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127205
S1c2cn([C@@H](CCC(=O)N[C@H](C1)C(=O)NCC(=O)O)C(=O)O)c(CCCCC)c2	PC-id_25125044	425.499	ATKNHDZGTAUMPL-CABCVRRESA-N	00000000100000000101000000000010000000000000000000000000	31-01-127206
c1(NC(=O)c2cccc(c2)N2C(=O)CCC2=O)sc2c(CCCCC2)c1C(=O)NC	MCULE-9788249995,ZINC22_9599759,CoCoCo_5058685,PC-id_18561010,EMOLS-id_5523555	425.501	ILOCFYZHACAYGZ-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-127207
c1(NC(=O)c2ccc(cc2)N2C(=O)CCC2=O)sc2c(CCCCC2)c1C(=O)NC	PC-id_18561008,MCULE-6886121179,EMOLS-id_5523543,ZINC22_9599757,CoCoCo_5058679	425.501	PPZFSUXXHPMFPE-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-127208
CC(C)C1COCC=CCn2cc(CC(C(=O)N1)N(Cc1ccccc1)C(=O)[O-])nc2	PC-id_86762392	425.501	VXQQECAMETWFLY-UHFFFAOYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-127209
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1	PC-id_46657088	425.501	XDLPCSPEVMLKEQ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-127210
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCN1C(=O)c2c(C1=O)cccc2	PC-id_31845920	425.501	GHTIMCSKHZLPDS-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-127211
s1c2CCCCCc2cc1C(=O)NNC(=O)CCN1C(=O)c2c(C1=O)ccc(c2)C	PC-id_31846203	425.501	SZMKPESOHRYMOK-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-127212
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(CNC(=O)C)cc1)C#N	PC-id_32888558	425.501	MFUIMESRFJISME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127213
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNC(=O)c1ccc(cc1)C)C#N	PC-id_45699370	425.501	CPIYXOBWZISBTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127214
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1oc(Cn2c(=O)cccc2)cc1	PC-id_36575008	425.501	NLHJFALANZAHEH-UHFFFAOYSA-N	00000000101000101100000000000010000000000000000000000000	31-01-127215
CC[NH+](C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)CC(=O)Nc1ccc(cc1)OC	PC-id_135582624	425.504	DSLNMZWPSOMENE-HNENSFHCSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127216
OCc1ccc(o1)C[N@H+]1CCc2n(CC1)c(nn2)[C@H](C(C)C)NC(=O)c1ccccn1	GD-id_ZINC11786908	425.504	KTSBJAQGKFVJOJ-FQEVSTJZSA-O	00000000101000101101000000000010000000000000000000000000	31-01-127217
O=C(C[NH+](CC)CC(=O)Nc1ccc(OC)cc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_78682984	425.504	JFEGYGJXPYUZLN-UHFFFAOYSA-O	00000011000000110111000000000010000000000000000000000000	31-01-127218
O=C(C[NH+](CC)CC(=O)Nc1ccc(OC)cc1)/C(=C
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O=C(NCc1n2CC[NH+](CCc2nn1)CC=Cc1ccc(OC)cc1)C1NC(=O)CC1	PC-id_74497725	425.504	ZFOMIAGFOXBMJG-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-127220
O=C(NCc1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)[C@H]1NC(=O)CC1	PC-id_26334892	425.504	ZFOMIAGFOXBMJG-DCKQQPRJSA-O	00000010100000110101000000000010000000000000000000000000	31-01-127221
O=C(NCc1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)[C@@H]1NC(=O)CC1	PC-id_26334896	425.504	ZFOMIAGFOXBMJG-ZMUQKWFASA-O	00000010100000110101000000000010000000000000000000000000	31-01-127222
O=C(NCc1nnc2n1CCCCC2)c1ccc(NS(=O)(=O)c2ccccc2)cc1	CoCoCo_4561655,MCULE-6950563659,ZINC22_12548479,EMOLS-id_13548341,PC-id_17569615	425.504	REZIFFDHVYJQLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127223
O=C(NNC(=O)c1sc2c(c1)CCCCCC2)CCc1onc(n1)c1ccncc1	MCULE-4219275249,CoCoCo_4556904,EMOLS-id_29989754,PC-id_26040062	425.504	QXLIVOCCCCMHPZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-127224
s1c2c(CCCCC2)c(c1NC(=O)c1nnn(c1C)c1cc(OC)ccc1)C(=O)N	PC-id_55667287	425.504	FZWORKMIBGTLGP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127225
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc(nn1)c1c(cccc1)C)C(=O)OC	PC-id_5027444	425.504	PQXLYVNRQLVDSE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127226
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(c(c1C)c1ccccc1)C(=O)N	PC-id_55581217	425.504	HGNWPVFYNMCSHH-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-127227
S(c1n2CCCCCc2nn1)CC(=O)Nc1c(C(=O)NCc2occc2)cccc1	PC-id_17401352	425.504	ACYGSRFGOHVDIJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127228
S(=O)(=O)(Nc1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1)c1ccccc1	PC-id_24676668	425.504	ZFLXWLNSCZNVQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127229
O=Cc1cc2c(s1)CCCN(CCNC(C2)C)C(c1ccc(nc1)C(F)(F)F)C	PC-id_142419359	425.511	WFPIBVDYGNWCGK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-127230
S=c1n2c(nn1CN1CCN(CC1)Cc1cc(ccc1)C(F)(F)F)CCCCC2	PC-id_39771325	425.514	ZPYWMTXXBILQQT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127231
CCOC(=O)c1c(C)sc2c1OCC(N(S2(=O)=O)Cc1ccc(cc1)OC)C	PC-id_140762717	425.519	GXGVTJMWYJGTCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127232
COCC[C@@H]1c2ccsc2CCN([C@H]1C(=O)O)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966492	425.519	SHWOSSHATQXTMX-SJLPKXTDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127233
OCC[C@@H]1c2ccsc2CCN([C@@H]1C(=O)OC)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966469	425.519	GTPQBUKFBYUXRY-AEFFLSMTSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127234
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCOC)C(=O)O)c1ccc(OC)cc1	PC-id_76500027	425.519	SHWOSSHATQXTMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127235
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)CCOC)C(=O)O)c1ccc(OC)cc1	PC-id_57255908	425.519	SHWOSSHATQXTMX-WMZOPIPTSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127236
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cc(OC)ccc3F)CCn12	ChEMBL-DNDi_CHEMBL46628739,EMOLS-id_20584179,PC-id_45212831,MCULE-1860633327	425.521	BACFPSIJHDFYFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127237
CCc1nn(c2c1C(=O)NCCCOCCC2)CC1(CC1)COC(=O)c1ccccc1	SCHEMBL20288864,PC-id_135141824	425.521	YUSNWPIFRZJXRZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-127238
COc1cc2n(Sc3csc4c3C=C=CC=C4)cc(c2cc1OC)CCC(=O)O	PC-id_143424971	425.521	YAUOAQAZBQUDAA-UHFFFAOYSA-N	00000000100000100110000001100010000000000000000000000000	31-01-127239
COc1cc(ccc1F)CN1CCc2n(CC1)c(nn2)C(C(C)C)NS(=O)(=O)C	PC-id_45167109,ChEMBL-DNDi_CHEMBL65391171	425.521	HLGDRJZUFGVZOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127240
COc1ccc(F)c(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	CoCoCo_1394832,CoCoCo_1394831,ZINC22_19220855,PC-id_28097743	425.521	BACFPSIJHDFYFN-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127241
COc1ccc(F)c(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	ZINC22_19220850,PC-id_28097741,CoCoCo_1394834,CoCoCo_1394833	425.521	BACFPSIJHDFYFN-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127242
S(=O)(=O)(N[C@H](c1n2CCN(CCc2nn1)Cc1cc(OC)c(F)cc1)C(C)C)C	PC-id_42397636	425.521	HLGDRJZUFGVZOQ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127243
S(=O)(=O)(N[C@@H](c1n2CCN(CCc2nn1)Cc1cc(OC)c(F)cc1)C(C)C)C	PC-id_42397638	425.521	HLGDRJZUFGVZOQ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127244
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC(C)C	PC-id_75036160	425.522	FYUBIBUWDYYNKH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127245
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC(C)C	PC-id_75036256	425.522	IKLKAEKDATVYNM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127246
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC(C)C	CHEBI:103827,PC-id_44505780	425.522	FYUBIBUWDYYNKH-XYJFISCASA-N	00000000100000000101000000000010000000000000000000000000	31-01-127247
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC(C)C	CHEBI:113452,SCHEMBL17487094,PC-id_44505563	425.522	FYUBIBUWDYYNKH-BQFCYCMXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127248
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC(C)C	CHEBI:96919,PC-id_44504998	425.522	FYUBIBUWDYYNKH-SOLBZPMBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127249
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC(C)C	PC-id_44498139	425.522	FYUBIBUWDYYNKH-NUJGCVRESA-N	00000000100000000101000000000010000000000000000000000000	31-01-127250
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC(C)C	PC-id_44505557	425.522	FYUBIBUWDYYNKH-LZLYRXPVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127251
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC(C)C	PC-id_44505765,CHEBI:96892	425.522	FYUBIBUWDYYNKH-JZXOWHBKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127252
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC(C)C	PC-id_44505776	425.522	FYUBIBUWDYYNKH-RYRKJORJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127253
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC(C)C	PC-id_44505778,CHEBI:96748	425.522	FYUBIBUWDYYNKH-JFIYKMOQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127254
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC(C)C	CHEBI:113462,PC-id_44505566	425.522	IKLKAEKDATVYNM-NUJGCVRESA-N	00000000100000000101000000000010000000000000000000000000	31-01-127255
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC(C)C	CHEBI:113495,PC-id_44505754	425.522	IKLKAEKDATVYNM-RYRKJORJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127256
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC(C)C	PC-id_44505199,CHEBI:96210	425.522	IKLKAEKDATVYNM-SOLBZPMBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127257
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC(C)C	PC-id_44505405	425.522	IKLKAEKDATVYNM-XYJFISCASA-N	00000000100000000101000000000010000000000000000000000000	31-01-127258
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC(C)C	PC-id_44505564,CHEBI:96280	425.522	IKLKAEKDATVYNM-LZLYRXPVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127259
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC(C)C	PC-id_44505570,CHEBI:113522	425.522	IKLKAEKDATVYNM-JFIYKMOQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127260
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC(C)C	PC-id_44505579,CHEBI:95542	425.522	IKLKAEKDATVYNM-JZXOWHBKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127261
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OC(C)C	PC-id_44505779,CHEBI:113313	425.522	IKLKAEKDATVYNM-BQFCYCMXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127262
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[n+](noc1[O-])C)C(=O)OCC	PC-id_53294344	425.522	XFWRSBFIZYVHIT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127263
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])C)CC)C(=O)OC	PC-id_53292993	425.522	XSRLOBSNYKHYRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127264
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])C)C)C(=O)OCC	PC-id_53292771	425.522	UYPKSHLWVNWNDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127265
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[n+](noc1[O-])C)C(=O)OC	PC-id_53294346	425.522	OACBEKRXIBRARQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127266
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])C)C)C(=O)OC	PC-id_53292773	425.522	HTQZIFTWCGVPQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127267
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[n+](noc1[O-])C)C(=O)OCC	PC-id_53292245	425.522	OMJWAIPCVOHSRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127268
S(c1ncccc1C(=O)NCCc1n2CCCCCc2nn1)Cc1ccc(F)cc1	PC-id_60544146	425.522	LHSLGPMHDPVCHA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-127269
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCOCC1)c2)Cc1cccc(C)c1	MCULE-5692340931,PC-id_53029190,EMOLS-id_32633134	425.524	CEAIOJVXXLQNNH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127270
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(CCn12)C(=O)c1cccc(C)c1	MCULE-8642528418,PC-id_45166803,EMOLS-id_20582073	425.524	GFWAEXKRLOIJBI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127271
c1(C(C(C)C)NC(=O)CC)nnc2CCN(CCn12)C(=O)c1cccc(OCC=C)c1	MCULE-1294785830,PC-id_45215313,ChEMBL-DNDi_CHEMBL49242659,EMOLS-id_20594747	425.524	HTCVOHRKXLCZFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127272
Cc1ccc(cc1)N(C(=O)Cn1nc2n(c1=O)CCCCC2)CC(=O)N1CCCCC1	PC-id_86934339	425.524	SQBSUYBGOIOPHH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127273
Cc1cccc(C(=O)N2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_12029776	425.524	GFWAEXKRLOIJBI-UYAOXDASSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127274
Cc1cccc(C(=O)N2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_12029781	425.524	GFWAEXKRLOIJBI-QUCCMNQESA-N	00000010100000110101000000000010000000000000000000000000	31-01-127275
Cc1cccc(C(=O)N2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_12029783	425.524	GFWAEXKRLOIJBI-AZUAARDMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127276
Cc1cccc(C(=O)N2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_12029787	425.524	GFWAEXKRLOIJBI-ICSRJNTNSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127277
CC(C)CCNC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25387306,PC-id_46049572,MCULE-3307103844	425.524	MCQZTOCJXNDSTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127278
CC(C)CNC(=O)CCNC(=O)c1cc2C(=O)N(Cc3ccccc3C)CCCn2n1	MCULE-6226703621,EMOLS-id_25388596,PC-id_46050066	425.524	DOMBOOJLZIXXMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127279
CCC(C)NC(=O)CCNC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	MCULE-3199699521,PC-id_46159986,EMOLS-id_35952006	425.524	UYFGYJSOTSVFFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127280
CCC(C)NC(=O)CCNC(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	MCULE-6511713000,EMOLS-id_25388954,PC-id_46049989	425.524	SMVMJOJMDKKHAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127281
CCC(C)NC(=O)C(C)NC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	MCULE-7031081772,PC-id_46049998,EMOLS-id_25388220	425.524	AUWSDLCHYPPHKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127282
CC(C)CNC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	EMOLS-id_25388224,MCULE-9477528629,PC-id_46050006	425.524	UZRBCRMFFXCDLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127283
CCC(C)NC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	PC-id_46050009,EMOLS-id_25388966,MCULE-4790209257	425.524	QJANXNZDAJQOBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127284
CC[C@H](NC(=O)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_93332620	425.524	UYFGYJSOTSVFFK-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127285
CC[C@@H](NC(=O)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_93332621	425.524	UYFGYJSOTSVFFK-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127286
CC[C@H](NC(=O)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C	PC-id_93332624	425.524	SMVMJOJMDKKHAQ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127287
CC[C@@H](NC(=O)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C	PC-id_93332625	425.524	SMVMJOJMDKKHAQ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127288
CC[C@H](NC(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)C	PC-id_93332516	425.524	AUWSDLCHYPPHKB-IAGOWNOFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127289
CC[C@@H](NC(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)C	PC-id_93332517	425.524	AUWSDLCHYPPHKB-DLBZAZTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-127290
CC[C@H](NC(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)C	PC-id_93332518	425.524	AUWSDLCHYPPHKB-SJORKVTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-127291
CC[C@@H](NC(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)C	PC-id_93332519	425.524	AUWSDLCHYPPHKB-IRXDYDNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127292
CC[C@H](NC(=O)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)C	PC-id_93332632	425.524	QJANXNZDAJQOBI-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127293
CC[C@@H](NC(=O)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)C	PC-id_93332633	425.524	QJANXNZDAJQOBI-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127294
CCCNC(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CC	PC-id_46049947,EMOLS-id_25388572,MCULE-2716313654	425.524	QKYGMJNXFLJGQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127295
CCCNC(=O)[C@@H](C(C)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332280	425.524	AZJJLSVSFQAFJG-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127296
CCCNC(=O)[C@H](C(C)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332281	425.524	AZJJLSVSFQAFJG-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127297
CCCNC(=O)C(NC(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1)C(C)C	PC-id_46049894,MCULE-3482340194,EMOLS-id_25387420	425.524	AZJJLSVSFQAFJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127298
C=CCOc1cccc(C(=O)N2CCc3nnc([C@H](NC(=O)CC)C(C)C)n3CC2)c1	CoCoCo_1410325,ZINC22_19227564	425.524	HTCVOHRKXLCZFF-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127299
C=CCOc1cccc(C(=O)N2CCc3nnc([C@@H](NC(=O)CC)C(C)C)n3CC2)c1	ZINC22_19227562,CoCoCo_1410326	425.524	HTCVOHRKXLCZFF-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127300
CC(C(=O)NCCC(C)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_46049565,MCULE-2733950531,EMOLS-id_25387920	425.524	YRWREFLDKBOMIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127301
C[C@H](C(=O)NCCC(C)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332438	425.524	YRWREFLDKBOMIA-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127302
C[C@@H](C(=O)NCCC(C)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332439	425.524	YRWREFLDKBOMIA-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127303
CCN(CC)C(=O)CCNC(=O)c1cc2C(=O)N(Cc3ccccc3C)CCCn2n1	MCULE-9971500160,PC-id_46049790,EMOLS-id_25387360	425.524	QKLICFRZNBRUNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127304
CCNC(=O)CCN(CC)C(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	EMOLS-id_25388212,MCULE-3354744312,PC-id_46049978	425.524	STIZBWCBLDDDJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127305
CCNC(=O)CCN(CC)C(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	MCULE-5134209446,PC-id_46050026,EMOLS-id_25388206	425.524	FKXXZOSNJCTPGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127306
Cn1ccc2c1C(=NCCC2=NO)OCCCN1CCN(CC1)c1ccccc1OC	PC-id_136426982,SCHEMBL6995690	425.524	ZIVHCBZEFAMKGO-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-127307
Cn1ccc2c1C(=NCC/C/2=NO)OCCCN1CCN(CC1)c1ccccc1OC	SCHEMBL6995687,PC-id_136426981	425.524	ZIVHCBZEFAMKGO-NCELDCMTSA-N	00000000100010110111100000000010000000000000000000000000	31-01-127308
COc1ccc(CN(C)C2CCc3nn(C)c(=O)n3CC2)cc1Cc1c(C)noc1C	MCULE-9562529521,EMOLS-id_97041706	425.524	QWFQSWNLUWFTAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127309
O1CCN(CCCNC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccc(cc2)C)CC1	PC-id_50797887	425.524	NLOXAEMROBVOIG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127310
O=C1N(CCCN2CCN(CC2)c2ccc(OC)cc2)CC/C(=N/O)/c2c1n(cc2)C	PC-id_20083220,SCHEMBL6994634	425.524	WPOXXIDAWXYSPM-FLFQWRMESA-N	00000000100010110101100000000010000000000000000000000000	31-01-127311
O=C1N(CCCN2CCN(CC2)c2ccc(OC)cc2)CCC(N=O)c2c1n(cc2)C	PC-id_53905713	425.524	IAFHNSMXBNQUDR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127312
O=C1N(CCCN2CCN(CC2)c2ccc(OC)cc2)CCC(=NO)c2c1n(cc2)C	PC-id_73658808	425.524	WPOXXIDAWXYSPM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127313
O=C1N(CCCN2CCN(CC2)c2cc(OC)ccc2)CC/C(=N/O)/c2c1n(cc2)C	PC-id_20083202,SCHEMBL6993732	425.524	DPYKGKDSFVIVCT-FLFQWRMESA-N	00000000100010110101100000000010000000000000000000000000	31-01-127314
O=C1N(CCCN2CCN(CC2)c2cc(OC)ccc2)CCC(N=O)c2c1n(cc2)C	PC-id_54507619	425.524	YGVLMJLLQIXVMV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127315
O=C1N(CCCN2CCN(CC2)c2cc(OC)ccc2)CCC(=NO)c2c1n(cc2)C	PC-id_73658800	425.524	DPYKGKDSFVIVCT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127316
O=C1N(CCCN2CCN(CC2)c2c(OC)cccc2)CC/C(=N/O)/c2c1n(cc2)C	PC-id_20083219,SCHEMBL6992184	425.524	SGEWCWKGVXOVPK-CLCOLTQESA-N	00000000100010110101100000000010000000000000000000000000	31-01-127317
O=C1N(CCCN2CCN(CC2)c2c(OC)cccc2)CCC(N=O)c2c1n(cc2)C	PC-id_53682328	425.524	BHMCCAZEYRXTDC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127318
O=C1N(CCCN2CCN(CC2)c2c(OC)cccc2)CCC(=NO)c2c1n(cc2)C	PC-id_73658807	425.524	SGEWCWKGVXOVPK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127319
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NCC)Cc1ccccc1	PC-id_46049903	425.524	YPGGRVSRWYPKQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127320
O=C1N(CCCn2nc(cc12)C(=O)NC(C(C)C)C(=O)NC(C)C)Cc1ccccc1	PC-id_46049889	425.524	YZQOYEZZUWBBRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127321
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCC(C)C)Cc1cc(ccc1)C	PC-id_42855115	425.524	QKCKXFUSWMPRBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127322
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)N(CC)CC)Cc1ccc(cc1)C	PC-id_46049717	425.524	MWSKIWWXPZJTSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127323
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCC(C)C)Cc1ccc(cc1)C	PC-id_46049985	425.524	KZOBWCOSWDGAJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127324
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCC)CC)Cc1c(cccc1)C	PC-id_46050060	425.524	DXWMMNKCVPQZPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127325
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NC(CC)C)Cc1c(cccc1)C	PC-id_46050070	425.524	UVKSTGLPBQGPMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127326
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)N(CC)CC)Cc1cc(ccc1)C	PC-id_46159929	425.524	IKRRNCUZBMGVBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127327
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)N(CC)C)CC)Cc1ccccc1	PC-id_46049642	425.524	YUSFSKBNXFRWPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127328
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NC(C)C)CC)Cc1ccccc1	PC-id_46159968	425.524	GAGSEBIFBWEDEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127329
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCC(C)C)C)Cc1ccc(cc1)C	PC-id_42855069	425.524	YFBRRCSEFVZMNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127330
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NC(CC)C)C)Cc1ccc(cc1)C	PC-id_42855080	425.524	SIAFVFRZAZTEKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127331
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCC(C)C)C)Cc1cc(ccc1)C	PC-id_42855096	425.524	OMYNULIWBUOWMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127332
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)N(CC)CC)C)Cc1ccc(cc1)C	PC-id_46049668	425.524	YWYVHFDUIXVASP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127333
s1c2CCCCCc2c(c1NC(=O)CSc1scc(n1)c1ccccc1)C#N	PC-id_4600757	425.59	DBUZXCRXOJQONS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127563
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)N(CC)CC)C)Cc1ccc(cc1)C	PC-id_46049680	425.524	UHFKSYFELBRJPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127334
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCCC(C)C)Cc1ccc(cc1)C	PC-id_46049687	425.524	CUTQJZCFTATGQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127335
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)N(CC)CC)C)Cc1cc(ccc1)C	PC-id_46049740	425.524	CPKRNLSUBXGEEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127336
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCC(C)C)C)Cc1ccc(cc1)C	PC-id_46049966	425.524	MTIAIJGVTJDQCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127337
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCC(C)C)C)Cc1c(cccc1)C	PC-id_46050039	425.524	RRNCPVQJUMHICL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127338
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCC(C)C)C)Cc1c(cccc1)C	PC-id_46050044	425.524	LDZLHENHJVRFCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127339
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NC(CC)C)C)Cc1c(cccc1)C	PC-id_46050049	425.524	TVTMBGCVMKLACM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127340
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)N(CC)CC)C)Cc1cc(ccc1)C	PC-id_46159923	425.524	SFRGDVCESPUKAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127341
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)N(CC)CC)C)Cc1c(cccc1)C	PC-id_46159936	425.524	DTLCAFKZDWCINC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127342
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)N(CC)CC)C)Cc1c(cccc1)C	PC-id_46159940	425.524	KWLWQODTEBYIGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127343
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NC(CC)C)C)Cc1ccc(cc1)C	PC-id_46159975	425.524	UEDRRIDYWINTCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127344
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NC(CC)C)C)Cc1c(cccc1)C	PC-id_46159991	425.524	PCDPPJMAOTYIGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127345
O=C(N1C(CCCC1)C)c1cc(c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C	PC-id_56141420	425.524	KBAYKFUKDJPXBD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127346
O=C(N1CC(CC(C1)C)C)c1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_55676827	425.524	SLPILSYZORUGFX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127347
O=C(N1CCC(NC(=O)CCc2ccccc2)CC1)Cn1nc2n(CCCCC2)c1=O	PC-id_55692455	425.524	WIVBZXSLWWJKQT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127348
O=C(N1CCN(CC1)C(=O)CCCc1ccccc1)Cn1nc2n(CCCCC2)c1=O	PC-id_56263320	425.524	ANIDCJFXZMOVDI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127349
O=C(NCc1n2CCCCCc2nn1)C1CCCN(C1)C(=O)CCOc1ccccc1	PC-id_60554262	425.524	NGTTZPKZMPLGKS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127350
N#Cc1c(NC(=O)[C@@H](Sc2nnc(o2)c2cccnc2)C)sc2c1CCCCC2	CoCoCo_4175227,PC-id_26008151	425.527	VBIQNNHQKZKZOT-LBPRGKRZSA-N	00000000100000101101100000000010000000000000000000000000	31-01-127351
N#Cc1c(NC(=O)[C@H](Sc2nnc(o2)c2cccnc2)C)sc2c1CCCCC2	PC-id_26008150,CoCoCo_4175226	425.527	VBIQNNHQKZKZOT-GFCCVEGCSA-N	00000000100000101101100000000010000000000000000000000000	31-01-127352
N#Cc1c(NC(=O)C(Sc2nnc(o2)c2cccnc2)C)sc2c1CCCCC2	EMOLS-id_13566980,MCULE-8343573361,PC-id_17478768	425.527	VBIQNNHQKZKZOT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-127353
O(c1nn(c2nc(c(CCC(=O)NCCc3n4CCCCCc4nn3)c(c12)C)C)C)C	PC-id_55618629	425.527	DWCHPKHEPKBOMY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127354
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(CCCN(C3=O)C)cc2)cc1	PC-id_10574397	425.539	JQMFCBMQWIKLSC-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127355
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3CCCN(C(=O)c3cc2)C)cc1	PC-id_22011263	425.539	WVYMYDCLDCHYRR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127356
CC(C)c1ccc2-c(c(cc2CCCCNS(=O)(=O)c2ccccc2)C(=O)O)cc1	CHEMBL75309,SCHEMBL9627851,PC-id_10093928	425.54	NABDGKYIEDLLPV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-127357
CC(C)c1ccc2-c(c(cc2CCCCS(=O)(=O)Nc2ccccc2)C(=O)O)cc1	BindingDB_PC-id_44291496,PC-id_44291496,CHEMBL43726	425.54	RSARHIXNYFJZPC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-127358
CC(C)c1cccc2-c(c(cc2CCCCNS(=O)(=O)c2ccccc2)C(=O)O)c1	PC-id_10410158,SCHEMBL9627021,CHEMBL167069	425.54	FVJGHRIUWXUWEO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-127359
O=C(O)c1cc(CCCCCCCNS(=O)(=O)c2ccccc2)c2-c1ccccc2	CHEMBL168025,SCHEMBL9626891,PC-id_10251830	425.54	IMHLAEYEOCNFEF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-127360
S(=O)(=O)(NCCCc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2)c1ccccc1	PC-id_10025453	425.54	MXFPMPLCYNVUFA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-127361
S(=O)(=O)(NCCCc1c2-c(c(c1)C(=O)OC)cc(C(C)C)ccc2)c1ccccc1	PC-id_10477505	425.54	KKLKTAIQUZBYGY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-127362
S(=O)(=O)(NCCCCCCc1c2-c(c(c1)C(=O)OC)ccccc2)c1ccccc1	PC-id_10387711	425.54	WDEDUNHTOQUBAO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-127363
s1c2CCCCCc2nc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)c(F)cc1	PC-id_55508052	425.541	LELMPYRRPNVHLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127364
s1c2CCCCCCc2nc1NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F	PC-id_56036743	425.541	HXMNSGYDFIVIDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127365
Cc1cccc(N2C[C@H](C(=O)Nc3sc4c(c3C(=O)N)CCCCC4)CC2=O)c1C	PC-id_95705114,ZINC22_72104950	425.544	GUCQHCCMGJRCPB-OAHLLOKOSA-N	00000010100000110100100000000010000000000000000000000000	31-01-127366
Cc1cccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(=O)N)CCCCC4)CC2=O)c1C	ZINC22_72104951,PC-id_95705115	425.544	GUCQHCCMGJRCPB-HNNXBMFYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-127367
CCN(CC)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	EMOLS-id_3137247,ZINC22_3348901,PC-id_2465841,CoCoCo_2922320,MCULE-7543835360	425.544	PGJTUDBSPHGADR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127368
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)CC2=CCCCC2)c1	ZINC22_1146733572,EMOLS-id_313791037	425.544	BDTVFIQOWLNFME-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-127369
O=C(C1CC(=O)N(C1)c1cccc(c1C)C)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_55334062,MCULE-7210363486,EMOLS-id_49327059	425.544	GUCQHCCMGJRCPB-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-127370
O=S(=O)(c1ccc(F)cc1)N1CCN(Cn2nc3n(c2=S)CCCCC3)CC1	MCULE-1594311310,CoCoCo_3446989,ZINC22_14231803,EMOLS-id_13550367,PC-id_17570135	425.544	PWCKBWOVKABQPA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127371
s1c2CCCCCc2cc1C(=O)NNC(=O)C(N1CCCCC1=O)c1ccccc1	PC-id_56505537	425.544	OYJVSZWGKLECMV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127372
s1c2c(CCCCC2)c(c1NC(=O)C1CN(C(=O)C1)Cc1ccc(cc1)C)C(=O)N	PC-id_55334252	425.544	VXHRPVJVFVEBTN-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-127373
s1c2c(CCCCC2)c(c1NC(=O)C1CN(C(=O)C1)CCc1ccccc1)C(=O)N	PC-id_60388323	425.544	PQLPIXHCJUUZQE-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-127374
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1cc2OCOc2cc1)CC)C#N	PC-id_45770633	425.544	PKAJQVGQFRFHOW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-127375
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1ccccc1)CC(=O)OC)C#N	PC-id_55819189	425.544	CIZGMUDDMZBRHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127376
s1c2CCCCCCc2cc1C(=O)Nc1n(ncc1)Cc1c(OC)c(OC)ccc1	PC-id_60345783	425.544	NWAXOFPYWLBFLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127377
s1c2CCCCCCc2cc1C(=O)NN1C(=O)[C@@](NC1=O)(CCc1ccccc1)C	PC-id_31341142	425.544	ZKRZHYDJHDDOEE-QHCPKHFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127378
s1c2CCCCCCc2cc1C(=O)NN1C(=O)[C@](NC1=O)(CCc1ccccc1)C	PC-id_31341147	425.544	ZKRZHYDJHDDOEE-HSZRJFAPSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127379
s1c2CCCCCCc2cc1C(=O)NN1C(=O)C(NC1=O)(CCc1ccccc1)C	PC-id_46655170	425.544	ZKRZHYDJHDDOEE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127380
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(CN2CCCC2=O)ccc1	PC-id_9426565	425.544	UFSRVCFCJLRLFX-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-127381
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCC(NC1=O)c1ccccc1	PC-id_76264196	425.544	AWRQBWKJVYPWMW-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-127382
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)C2C(C2)C)cc1	PC-id_55649385	425.544	IGIYQPWVKNFMGW-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-127383
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(N(C(=O)C2CC2)C)cccc1	PC-id_78887189	425.544	IQIFDSLPDROIPP-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-127384
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1ccc(N2CCCC2=O)cc1	PC-id_9426560	425.544	HUYXDCJDGXHKGT-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-127385
s1c2CCCCCCCCCCc2nc1NC(=O)CN1c2c(C(=O)C1=O)cccc2	PC-id_30376960	425.544	PZSKRVNZXYODAK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-127386
s1c2CCCCCCCCCCc2nc1NC(=O)CN1C(=O)c2c(C1=O)cccc2	PC-id_30376964	425.544	GXTJXFRDLAUOGK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-127387
S(=O)(=O)(N1CCN(CC1)Cn1nc2n(CCCCC2)c1=S)c1cc(F)ccc1	PC-id_27079165	425.544	ISQPYESZLIEINX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127388
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1ccc(c2)F	PC-id_111888447	425.545	GEADIVDZROKRQN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-127389
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1c[nH]c2c1cc(F)cc2	PC-id_111972494	425.545	HPQPIPFMPGDZCW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-127390
CN1CCCc2c(C1)sc(n2)C(=O)N[C@H](C(=O)N(C)C)CNC(=O)OC(C)(C)C	SCHEMBL14496971,PC-id_58893962	425.546	HATUIMYZUAWGCD-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127391
s1c2CN(CCCc2nc1C(=O)NC(CNC(=O)OC(C)(C)C)C(=O)N(C)C)C	PC-id_72455641	425.546	HATUIMYZUAWGCD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127392
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3ccc(cc3)SC)CCn12	CoCoCo_1412601,MCULE-1463579624,ZINC22_12031591,CoCoCo_1412600,PC-id_42364744,EMOLS-id_20596239	425.547	ZSNBPJWDYHSBSI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127393
c1(NC(=O)CCC(=O)NCCCc2[nH]c3c(cccc3)n2)sc2c(CCCCC2)n1	MCULE-9487696876,EMOLS-id_335067308	425.547	LFJXGBUTSFQLBY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127394
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)s1	CoCoCo_1271222,PC-id_29087782,CoCoCo_1271223,ZINC22_20600673	425.547	JCWJBFIFIDTAIE-QGZVFWFLSA-N	00000000100100110101000000000010000000000000000000000000	31-01-127395
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)s1	PC-id_29087783,ZINC22_20600674,CoCoCo_1271225,CoCoCo_1271224	425.547	JCWJBFIFIDTAIE-KRWDZBQOSA-N	00000000100100110101000000000010000000000000000000000000	31-01-127396
Cc1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)c(C)c1	MCULE-2738043724,ZINC22_20450143,PC-id_28954049,EMOLS-id_20469993	425.547	QAGQKBTYPOFTGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127397
Cc1ccsc1CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1	EMOLS-id_20556679,CoCoCo_1353464,MCULE-9530174670,CoCoCo_1353465,ZINC22_20998400,PC-id_29257842	425.547	KXCPBYTTWDWDER-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-127398
CCc1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1	CoCoCo_1221613,EMOLS-id_20465373,ZINC22_20211638,MCULE-8499213157,PC-id_28739589,CoCoCo_1221612	425.547	QMERPKPNRCUTGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127399
CC(C)c1cc(nn1CC(=O)N1CCc2c(CC1)sc(n2)N)c1ccc(cc1)OC	PC-id_89607897,SCHEMBL15001980	425.547	CRGDQQVNHFLRJQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127400
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccc(C)s3)CCn12	PC-id_45193519,EMOLS-id_20499937,MCULE-8101809128	425.547	JCWJBFIFIDTAIE-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-127401
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(C)s3)CCn12	EMOLS-id_20460693,ZINC22_14888160,CoCoCo_1215107,PC-id_26281996,CoCoCo_1215106,MCULE-7925216496	425.547	JGSMCGBHGFWKHE-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-127402
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3sccc3C)CCn12	MCULE-7343692122,CoCoCo_1361575,ZINC22_20999871,EMOLS-id_20562135,CoCoCo_1361574,PC-id_29259329	425.547	AFXLDHYCAAHZMR-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-127403
n12CCN(CCc1nnc2CCNC(=O)C1CCCO1)Cc1cc2c(cccc2)s1	MCULE-6220942297,PC-id_45221244,EMOLS-id_20619709	425.547	WFPZENHEOHUJQR-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-127404
O=C(NCCc1nnc2n1CCN(Cc1cc3ccccc3s1)CC2)[C@H]1CCCO1	CoCoCo_1447781,CoCoCo_1447783,ZINC22_14962256	425.547	WFPZENHEOHUJQR-GOSISDBHSA-N	00000010100000100101000001000010000000000000000000000000	31-01-127405
O=C(NCCc1nnc2n1CCN(Cc1cc3ccccc3s1)CC2)[C@@H]1CCCO1	ZINC22_14962252,CoCoCo_1447784,CoCoCo_1447782	425.547	WFPZENHEOHUJQR-SFHVURJKSA-N	00000010100000100101000001000010000000000000000000000000	31-01-127406
O=S(=O)(NCc1nnc2CCN(CCCc3ccccc3)CCn12)c1ccccc1	CoCoCo_1277052,EMOLS-id_20503957,MCULE-7658067405,PC-id_42468562,ZINC22_12213361,CoCoCo_1277051	425.547	SLSOKEIUQXXAIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127407
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1c(n2nc(cc2nc1C)C)C	PC-id_46657028	425.547	RAYNVKUTKLEWJU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127408
s1c2CCCCCc2c(c1NC(=O)CCN(CC(=O)Nc1nc(ccc1)C)C)C#N	PC-id_56414613	425.547	SWTXPQMUOIVVQF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-127409
s1c2CCCCCc2c(c1NC(=O)C(N(CC(=O)Nc1nc(ccc1)C)C)C)C#N	PC-id_56414222	425.547	AOQROHWAWCEESZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-127410
s1c2CCCCCc2c(c1NC(=O)C(N(CC(=O)Nc1nccc(c1)C)C)C)C#N	PC-id_56470341	425.547	YUTUPSJDRQPQHI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-127411
s1c(CN2CCn3c(nnc3C(NC(=O)c3cc(OC)ccc3)C)CC2)c(cc1)C	PC-id_45166605	425.547	NRPHADVOMPRPDT-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-127412
S(c1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1)Cc1c(onc1C)C	PC-id_60392558	425.547	GIWMXSNVZJMFCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127413
S1C(=C(c2n3CCCCCc3nn2)C#N)N(Cc2ccccc2)C(=C1)c1ccccc1	PC-id_4429300	425.549	YTLVCXBOKYSTKZ-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-127414
S1/C(=C(c2n3CCCCCc3nn2)/C#N)/N(Cc2ccccc2)C(=C1)c1ccccc1	PC-id_6108094	425.549	YTLVCXBOKYSTKZ-DAFNUICNSA-N	00000011100000110101100000000010000000000000000000000000	31-01-127415
S(CC(=O)NCCc1n2CCCCCc2nn1)c1n(c2cc(c(cc2)C)C)cnn1	PC-id_55552875	425.55	AHBQNPWVMYBUJV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127416
CCCCCCCCOC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(cc1)OC	SCHEMBL11203162,PC-id_20483707	425.56	MDDUICOSFLLLHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127417
CCOc1ccc(cc1)C(=O)c1c(CC)cc2n1CCCCC2C(=O)OCCC(C)C	PC-id_70535368,SCHEMBL11199061	425.56	LQBGRXSLMNHMQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127418
CC(CCCNCCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	SCHEMBL6092362,PC-id_21953132	425.564	MFNFOGRVUVFFBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127419
CCN(C(=O)c1ccc(cc1)C(C)C)C1CCCc2c(C1)cn(n2)C(=O)OC(C)(C)C	SCHEMBL19048263	425.564	ZUXZSLZAASADPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127420
COC(=O)c1c(NC(=O)C[N@@H+]2CCC(=CC2)c2ccccc2)sc2c1CCCCC2	GD-id_ZINC05944208,PC-id_7832087	425.564	NAJOOCQKCGGQMV-UHFFFAOYSA-O	00000000100011110100100000000010000000000000000000000000	31-01-127421
O=C1c2c([nH]cc2C(=O)Nc2cc(OCCCNCCC(C)(C)C)ccc2)CCCC1	PC-id_21953157,SCHEMBL6094275	425.564	QGKNFNQQCHUZIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127422
OC1CC=C(C=C1)Cn1c(NC2CCCCCC2)nc2c1C(=O)CC(C)C(=O)C(C2)C	PC-id_143302392	425.564	POROAWDTAZBBSE-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-127423
CC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	PC-id_136651185	425.565	ACRIGBNNJJLENY-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-127424
CC1CCCCCCc2cc1c([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	SCHEMBL3872222,PC-id_135767903	425.565	ACRIGBNNJJLENY-PKAZHMFMSA-N	00000011110000110100100000000010000000000000000000000000	31-01-127425
COC1=CC(=NC1=Cc1c2cc([nH]1)CCCCCCC2Cc1ccccc1)c1ccc[nH]1	PC-id_136611859	425.565	LQKPFXSALIUTEW-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-127426
COC1=CC(=N/C/1=C/c1c2cc([nH]1)CCCCCCC2Cc1ccccc1)c1ccc[nH]1	SCHEMBL3884060,PC-id_136044500	425.565	LQKPFXSALIUTEW-OVVQPSECSA-N	00000011110000110100100000000010000000000000000000000000	31-01-127427
O(c1c(=Cc2[nH]c3CCCCCCC(c2c3)Cc2ccccc2)[nH]/c(=C/2N=CC=C2)/c1)C	PC-id_59896550	425.565	CHQOSJXJXGNRKU-KYPDUVAGSA-N	00000011110000110100100000000010000000000000000000000000	31-01-127428
O(c1c(=Cc2[nH]c3CCCCCCC(c2c3)Cc2ccccc2)[nH]c(=C2N=CC=C2)c1)C	PC-id_68826198	425.565	CHQOSJXJXGNRKU-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-127429
Ic1ccc(OCC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_55452793	426.252	MHHSSEUWYHKRFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127657
O(c1/c(=C/c2[nH]c3CCCCCCC(c2c3)C)/[nH]/c(=C/2N=CC=C2)/c1)Cc1ccccc1	PC-id_18176976	425.565	ZSVAJFNNEIFGMC-VOMHGQTNSA-N	00000011110000110100100000000010000000000000000000000000	31-01-127430
O(c1/c(=C/c2[nH]c3CCCCCCC(c2c3)C)/[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68821720	425.565	ZSVAJFNNEIFGMC-BCOGFAPYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-127431
O(c1c(=Cc2[nH]c3CCCCCCC(c2c3)C)[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68821721	425.565	ZSVAJFNNEIFGMC-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-127432
s1c2c(CCCCCC2)c(c1NC(=O)CSC1NC(CC(=O)N1)C)C(=O)OC	PC-id_78370608	425.565	WUALVLVSHBBKSA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-127433
s1c2c(CCCCCC2)c(c1NC(=O)CSC1NCCC(=O)N1)C(=O)OCC	PC-id_78347566	425.565	NFMCKZLKGRMDJY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-127434
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccc(c(C)c3)C)CCn12	EMOLS-id_20508169,MCULE-2794411968,PC-id_45195360	425.567	STJYJDIHYUHFIX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127435
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3cc(C)cc(C)c3)CCn12	EMOLS-id_20592427,PC-id_45214771,MCULE-7110782454	425.567	ZSZILEPDVAVCJX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127436
Cc1cc(C)cc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1	CoCoCo_1406944,CoCoCo_1406945,ZINC22_15000886	425.567	ZSZILEPDVAVCJX-RBBKRZOGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127437
Cc1cc(C)cc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1	CoCoCo_1406947,ZINC22_15000881,CoCoCo_1406946	425.567	ZSZILEPDVAVCJX-IFMALSPDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127438
Cc1cc(C)cc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_15000884,CoCoCo_1406950,CoCoCo_1406951	425.567	ZSZILEPDVAVCJX-IRLDBZIGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127439
Cc1cc(C)cc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_15000889,CoCoCo_1406948,CoCoCo_1406949	425.567	ZSZILEPDVAVCJX-UNMCSNQZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127440
Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)cc1C	MCULE-2871623968,CoCoCo_1304662,EMOLS-id_20522921,ZINC22_20784427,PC-id_29153630,ChEMBL-DNDi_CHEMBL32529782,CoCoCo_1304661	425.567	YCJPUNXXLVVCPA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127441
Cc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1C	CoCoCo_1282982,CoCoCo_1282983,ZINC22_20775077	425.567	STJYJDIHYUHFIX-RBBKRZOGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127442
Cc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1C	CoCoCo_1282985,CoCoCo_1282984,ZINC22_20775071	425.567	STJYJDIHYUHFIX-IFMALSPDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127443
Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1C	CoCoCo_1282987,CoCoCo_1282986,ZINC22_20775080	425.567	STJYJDIHYUHFIX-UNMCSNQZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127444
Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1C	CoCoCo_1282988,CoCoCo_1282989,ZINC22_20775074	425.567	STJYJDIHYUHFIX-IRLDBZIGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127445
CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)cc1	MCULE-2335797572,EMOLS-id_20546929,ZINC22_20993623,CoCoCo_1339032,CoCoCo_1339033,PC-id_29254450	425.567	MPPXIVGXXKPTKQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127446
CC(C)(C)C(NC(=O)c1c2CN(CCCn2c(n1)C(=C)c1ccccc1)C)OCNC	PC-id_88974605	425.567	PUJVKIBWLQYSCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127447
CC([C@H](c1nnc2n1CCN(CC2)Cc1cc(C)ccc1C)NC(=O)[C@@H]1COCC1)C	CoCoCo_1174007,CoCoCo_1174009	425.567	RZEQGMQSCCLMFA-SIKLNZKXSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127448
CC([C@H](c1nnc2n1CCN(CC2)Cc1cc(C)ccc1C)NC(=O)[C@H]1COCC1)C	CoCoCo_1174010,CoCoCo_1174008	425.567	RZEQGMQSCCLMFA-DENIHFKCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127449
CC([C@@H](c1nnc2n1CCN(CC2)Cc1cc(C)ccc1C)NC(=O)[C@H]1COCC1)C	CoCoCo_1174012,CoCoCo_1174014	425.567	RZEQGMQSCCLMFA-KNQAVFIVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127450
CC([C@@H](c1nnc2n1CCN(CC2)Cc1cc(C)ccc1C)NC(=O)[C@@H]1COCC1)C	CoCoCo_1174013,CoCoCo_1174011	425.567	RZEQGMQSCCLMFA-UGKGYDQZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127451
CCn1nc2n(c1=O)CCC(CC2)C(=O)NCC1CCN(CC1)Cc1ccccc1C	EMOLS-id_207877050,MCULE-6990760368	425.567	WMHJSZUTBQIGAF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127452
CCOc1ccccc1CN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1	PC-id_29213255,MCULE-2911419785,ZINC22_20910134,CoCoCo_1320367,EMOLS-id_20534049,CoCoCo_1320366	425.567	BJHRNCGZPSTHIF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127453
CCOc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1	MCULE-3823929050,PC-id_29257753,CoCoCo_1352900,CoCoCo_1352901,ZINC22_20998267,EMOLS-id_20556293	425.567	AATPZUBBKDYAHJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127454
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C(c1ccccc1)C	SCHEMBL1175218,PC-id_57635713	425.567	PZWWAKPDZLPYJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127455
CNC(=O)[C@@H](C(C)(C)C)C1CCN(Cc2n1c(nc2C(=O)N)C(c1ccccc1)C)C	PC-id_140605926	425.567	NEDRVJVCZWQGLW-KVWWFHCMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127456
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C(c1ccccc1)C	PC-id_57736796,SCHEMBL1175216	425.567	PZWWAKPDZLPYJA-OTOKDRCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127457
CNCO[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C(=C)c1ccccc1	SCHEMBL12883342	425.567	PUJVKIBWLQYSCO-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127458
N#Cc1c(NC(=O)CC[N@@H+](CC(=O)Nc2ccc(cc2)C)C)sc2c1CCCCC2	GD-id_ZINC13059576,PC-id_25693490	425.567	HQCPORXSLXKMHW-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-127459
N#Cc1c(NC(=O)C[N@H+](CC(=O)Nc2cccc(c2C)C)C)sc2c1CCCCC2	GD-id_ZINC13096352,PC-id_25707904	425.567	DBRNXJGLBSPATB-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-127460
O1CCC(CC1)C(=O)NC(c1n2CCN(CCc2nn1)Cc1c(cc(c(c1)C)C)C)C	PC-id_45166920	425.567	ZCYJOVXTUPFCDN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127461
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(CN2CC(CC(C2)C)C)cc1	PC-id_55742580	425.567	BLAGCKDKVDOSQL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127462
O=c1n2CCCCCc2nn1CC(=O)NCc1c(CN2CC(CC(C2)C)C)cccc1	PC-id_55746898	425.567	VYTKQVGKRCTGJT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127463
O=c1n2CCCCCc2nn1CC(=O)NCc1c(CN(C2CCCCC2)C)cccc1	PC-id_55954319	425.567	UQTMPAIVNRCZJA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127464
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1nc(sc1)c1ccc(cc1)C	PC-id_24517374	425.567	HIYNXODEBMKHSY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127466
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1nc(sc1)c1cc(ccc1)C	PC-id_24554092	425.567	MOVPZXPDROOXII-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127467
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1ccc(O)cc1)C#N	PC-id_8690022	425.567	HDZJDFFHSJJUTC-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-127468
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1c(O)cccc1)C#N	PC-id_8528564	425.567	ZBZGJRTXNFPTHX-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-127469
s1c2CCCCCc2c(c1NC(=O)CC[NH+](Cc1ccc(cc1)C(=O)NC)C)C#N	PC-id_9123548	425.567	UOUBDXSDSUPZOT-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-127470
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1ccc(O)cc1)C)C#N	PC-id_9276879	425.567	SWWLDJAPRUDEGT-INIZCTEOSA-O	00000000100010110101100000000010000000000000000000000000	31-01-127471
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1ccc(O)cc1)C)C#N	PC-id_9276882	425.567	SWWLDJAPRUDEGT-MRXNPFEDSA-O	00000000100010110101100000000010000000000000000000000000	31-01-127472
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1c(O)cccc1)C)C#N	PC-id_9432770	425.567	LJOINFCSPKMGGQ-INIZCTEOSA-O	00000000100010110101100000000010000000000000000000000000	31-01-127473
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1c(O)cccc1)C)C#N	PC-id_9432774	425.567	LJOINFCSPKMGGQ-MRXNPFEDSA-O	00000000100010110101100000000010000000000000000000000000	31-01-127474
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1ccc(O)cc1)C)C#N	PC-id_84969215	425.567	SWWLDJAPRUDEGT-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-127475
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ccc(OC)cc1)C#N	PC-id_8015683	425.567	JVPFFVWAZSQDRD-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-127476
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1c(O)cccc1)C)C#N	PC-id_85008635	425.567	LJOINFCSPKMGGQ-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-127477
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(OC)cccc1)C#N	PC-id_40642286	425.567	PWDOHOWWPCITGD-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-127478
s1c2CCCCCCc2nc1NC(=O)c1c(N(C(=O)c2sccc2)C)cccc1	PC-id_56571806	425.567	CVDONIWDOCWXJO-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-127479
C=CCN(C(=O)CSc1nnc2n1CCCCC2)c1nc(c2ccccc2)cs1	CoCoCo_3082206,MCULE-2227713623,ZINC22_9816405,EMOLS-id_43775528,PC-id_16293735	425.57	GZFKYYALGJOYQN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127480
CC(C(=O)N[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1cnc(s1)c1ccccc1)C)C	PC-id_42366014,GD-id_ZINC39388381	425.57	IHLVIRNPCJHOPQ-MRXNPFEDSA-O	00000000100000110101100000000010000000000000000000000000	31-01-127481
CCNC(=NCc1ccccc1CN1CCOCC1)NCc1nnc2n1CCCCC2	PC-id_111374397	425.57	GXFHYWLXWPKQLM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127482
CCNC(=NCc1ccc(cc1)C(=O)N(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111874141	425.57	YAAQKAUKAHRRNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127483
CCNC(=NCCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccccc1OC	PC-id_111132997	425.57	SEJJYVQHLPQEAJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127484
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)ccc1Cl	PC-id_4217454	426.357	HTWKSHGSDXKDKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127677
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(C1)c1ccccc1OC	PC-id_109707541	425.57	IIXPYPQQAIALIQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-127485
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1cccc(c1)C(=O)N(C)C	PC-id_111668448	425.57	HGTVZUCVXBZZSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127486
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccccc1O	PC-id_111185898	425.57	VRFLMDHYTGJLAF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127487
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1cccc(c1)C(=O)NC	PC-id_111633791	425.57	CSKYGCRTELYGIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127488
CN=C(N1CCN(CC1)c1ccccc1OC)NCCCc1nnc2n1CCCCC2	PC-id_111133285	425.57	AMARACKZUYUDAI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127489
CN=C(NC1CCN(C1)c1ccccc1OC)NCCCc1nnc2n1CCCCC2	PC-id_109706345	425.57	PXASVRHLTFUFEN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-127490
CN=C(NCc1ccccc1CN1CCOCC1)NCCc1nnc2n1CCCCC2	PC-id_111374503	425.57	AUVGRIMRIDCZAB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127491
CN=C(NCc1nnc2n1CCCCC2)NCC(c1ccccc1OC)N1CCCC1	PC-id_111322610	425.57	XRDQUPNMNDOEKZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127492
CN=C(NCCc1cccc(c1)C(=O)N(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111670190	425.57	IGGGFESDOWMPSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127493
COc1ccc(cc1)C(N1CCCC1)CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111291689	425.57	HTBQIKSTWKRSNL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127494
COc1cccc(c1)C(N1CCCC1)CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111346659	425.57	ZERIWMCIAASPFE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127495
COc1ccc(cc1)N1CCN(CC1)C(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111243279	425.57	KYELCWBDQVKTAC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127496
COc1cccc(c1)N1CCN(CC1)C(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111291213	425.57	FIUGIJVSMBRSOI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127497
O=C(NCc1ccnc(c1)N1CCCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_86898927	425.57	JJTHFMPXKACSQY-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-127498
s1cc(nc1c1ccccc1)CN1CC[NH+](CC1)Cn1nc2n(c1=O)CCCCC2	PC-id_39999905	425.57	NXVDJFINNHWKRW-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-127499
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C(C)C)C)CC2)cnc1c1ccccc1	PC-id_42366010	425.57	IHLVIRNPCJHOPQ-INIZCTEOSA-O	00000000100000110101100000000010000000000000000000000000	31-01-127500
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)C(C)C)C)CC2)cnc1c1ccccc1	PC-id_74799601	425.57	IHLVIRNPCJHOPQ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-127501
c1(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c(CCCCCC2)c1C(=O)OC	PC-id_3634852,MCULE-9090384970	425.584	CDUJGJPCYCSCMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127502
COC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)C(C)(C)C)sc2c1CCCCCC2	CoCoCo_5824436	425.584	CDUJGJPCYCSCMQ-SSZFMOIBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127503
COC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)(C)C)sc2CCCCCCc12	ZINC22_2753053,TIMTEC95148,CoCoCo_5824435,EMOLS-id_26499095,PC-id_6372628,SPECS-id_AK-968/15253404	425.584	CDUJGJPCYCSCMQ-DTQAZKPQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127504
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)OC(C)C	PC-id_4095586	425.584	YCFRZHPYUCCRBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127505
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)OCCC	PC-id_5060963	425.584	HETPKQSBZGTPNQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127506
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)OC(C)C	PC-id_6008706	425.584	YCFRZHPYUCCRBL-NTCAYCPXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127507
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)OCCC	PC-id_6391448	425.584	HETPKQSBZGTPNQ-NTCAYCPXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127508
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C(=O)OCC	PC-id_4059672	425.584	WUHJOKRUUZPHGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127509
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)OCC	PC-id_6000133	425.584	WUHJOKRUUZPHGD-DTQAZKPQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127510
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1ccc(C(C)C)cc1)C(=O)OCC	PC-id_4196049	425.584	MRJRUSKPAKJQTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127511
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1ccc(C(C)C)cc1)C(=O)OCC	PC-id_6033801	425.584	MRJRUSKPAKJQTL-DTQAZKPQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127512
S(=O)(=O)(O)c1c2-c(c(CCCCNCc3ccc(cc3)C)c1)ccc(C(C)C)cc2	PC-id_59876395	425.584	JFCBNPZJKIOOMG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-127513
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+]CCC[NH+]1CCOCC1)C(=O)OCC	PC-id_7126073	425.585	LGCRDGQQXXIVKI-UHFFFAOYSA-P	00000000100010000101000000000010000000000000000000000000	31-01-127514
c1(c2CCCCCc2sc1NC(=O)CN1CCCC1)C(=O)Nc1ccccc1CC	TIMTEC138840,EMOLS-id_2785232,ZINC22_4554285,PC-id_3615391,MCULE-5117644710,CoCoCo_6723878	425.587	FAOKABHKUYGBHZ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-127515
c1(cc2c(CCCCC2)s1)C(=O)N1CCCC(C1)c1ncccc1C(=O)NC(C)C	EMOLS-id_185305,BDE-24455008,MCULE-1067029218,PC-id_110260305	425.587	UVMMKPPTCONOEE-UHFFFAOYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-127516
c1(NC(=O)CCC(=O)N2CCC(CC2)Cc2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_334777621,MCULE-1361243572	425.587	IBCMMCIUYNAOHD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127517
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	PC-id_9465641,EMOLS-id_3666809,MCULE-9531152042,ZINC22_36385997,CoCoCo_3876980	425.587	HBNJDUQPPBLMJR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127518
CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	ZINC22_35362772,MCULE-8793908554,EMOLS-id_3697825,PC-id_16354831,CoCoCo_3877518	425.587	RDYUBJQFFCILIS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127519
CC(C)NC(=O)c1cccnc1[C@H]1CCCN(C(=O)c2cc3c(s2)CCCCC3)C1	PC-id_92624003,ZINC22_19709322	425.587	UVMMKPPTCONOEE-SFHVURJKSA-N	00000000100010101100100000000010000000000000000000000000	31-01-127520
CC(C)NC(=O)c1cccnc1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCCC3)C1	ZINC22_19709321,PC-id_92624002	425.587	UVMMKPPTCONOEE-GOSISDBHSA-N	00000000100010101100100000000010000000000000000000000000	31-01-127521
CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_11861320,ZINC22_23805587,CoCoCo_3675302,PC-id_16388208,MCULE-6331735220	425.587	GPSXNXZCJSCMPA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127522
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc4c(s3)CCCCCC4)cc2)C1	ZINC22_65518077,PC-id_95145971	425.587	XPRMMWIHEZNUAP-IBGZPJMESA-N	00000000100010110100100000000010000000000000000000000000	31-01-127523
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc4c(s3)CCCCCC4)cc2)C1	ZINC22_65518081,PC-id_95145972	425.587	XPRMMWIHEZNUAP-LJQANCHMSA-N	00000000100010110100100000000010000000000000000000000000	31-01-127524
O=C(c1sc2c(c1)CCCCCC2)NCc1ccc(cc1)N1CCCC(C1)C(=O)N	EMOLS-id_35728640,PC-id_53510894,MCULE-1950117124	425.587	XPRMMWIHEZNUAP-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-127525
O=C(CN1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1)NCc1ccccc1	ZINC22_24980015,EMOLS-id_17213892,MCULE-9657049869,CoCoCo_4535179,PC-id_24248136	425.587	GCJBGMKLAJRZMF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127526
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)CC(=O)Nc1c(c(ccc1)C)C	PC-id_26372569	425.587	TTZMJOVVMPHSPY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127527
s1c2CCCCCc2cc1C(=O)Nc1ccc(CCN2CCC(CC2)C(=O)N)cc1	PC-id_56348601	425.587	LYDSAAWILSWBEG-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127528
s1c2CCCCCCc2cc1C(=O)Nc1ccc(CN2CC(CCC2)C(=O)N)cc1	PC-id_56323118	425.587	VFHJUZAROSDQNI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127529
s1c2c(CCCCCC2)cc1C(=O)NC1CCN(CC1)CC(=O)Nc1ccccc1	PC-id_16613360	425.587	SQGKSSXXRGVCGW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127530
s1c(C(=O)N2CC(CCC2)CNC(=O)Nc2ccc(cc2)C)cc2c1CCCCC2	PC-id_56411235	425.587	KORJERURWPRQTK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127531
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CC2)NS(=O)(=O)C)sc2c1CCCCC2	GD-id_ZINC10043174,PC-id_41331854	425.589	KFSYVSQRBSJBLJ-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-127532
N#Cc1c(NC(=O)[C@H]([N@@H+]2CC[C@H](CC2)NS(=O)(=O)C)C)sc2c1CCCCC2	GD-id_ZINC11105177,PC-id_41819818	425.589	SGFLPKDPYYKHSN-CYBMUJFWSA-O	00000000100010000100000000000010000000000000000000000000	31-01-127533
O=C(C1CCCN(C1)S(=O)(=O)c1cccs1)Nc1nc2c(s1)CCCCC2	PC-id_45864716,MCULE-7640111750,EMOLS-id_44038056	425.589	ZWLCKAZKQQXMIY-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-127534
O=C(Cc1ccc(s1)S(=O)(=O)N1CCCC1)Nc1nc2c(s1)CCCCC2	PC-id_112807864	425.589	HUGODAJUQNQECU-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-127535
O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	PC-id_51929682,ZINC22_40034668,CoCoCo_4546232	425.589	ZWLCKAZKQQXMIY-ZDUSSCGKSA-N	00000000100110000101000000000010000000000000000000000000	31-01-127536
O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	ZINC22_40034669,CoCoCo_4546233,PC-id_51929683	425.589	ZWLCKAZKQQXMIY-CYBMUJFWSA-N	00000000100110000101000000000010000000000000000000000000	31-01-127537
s1c2c(CCCCC2)c(c1NC(=O)CCSc1sc(nn1)C)C(=O)OCC	PC-id_23746310	425.589	NGLMCTVJWWHWKO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127538
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(nn1)C)C)C(=O)OCC	PC-id_23801624	425.589	QQNFCHKNEQKRIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127539
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1sc(nn1)C)C(=O)OC	PC-id_23746311	425.589	ZNEXQXCANOGMLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127540
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1sc(nn1)C)C)C(=O)OC	PC-id_23830385	425.589	QHARQIMSXIWDTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127541
s1c2c(CCCCCC2)c(c1NC(=O)CSc1sc(nn1)C)C(=O)OCC	PC-id_4150590	425.589	UVTCRLPHVYXYTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127542
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2CCCCCCc2n1)c1sccc1	PC-id_56284966	425.589	MMPITTDZRXBPMP-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-127543
S(=O)(=O)(NC1CC[NH+](CC1)C(C)C(=O)Nc1sc2c(CCCCC2)c1C#N)C	PC-id_74771203	425.589	SGFLPKDPYYKHSN-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-127544
S(=O)(=O)(NC1CC[NH+](CC1)[C@@H](C)C(=O)Nc1sc2c(CCCCC2)c1C#N)C	PC-id_41819816	425.589	SGFLPKDPYYKHSN-ZDUSSCGKSA-O	00000000100010000100000000000010000000000000000000000000	31-01-127545
CCN(c1ccc(cc1)C[N@@H+]1CCc2n(CC1)c(nn2)CCNC(=O)C1CCC1)CC	GD-id_ZINC11839798	425.59	MQYJHOUJGKPQRM-UHFFFAOYSA-O	00001000100000110101000000000010000000000000000000000000	31-01-127546
Cn1ccnc1C[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	PC-id_97075870,ZINC22_89761409	425.59	HCUIHPZPPUNMBG-QGZVFWFLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-127547
Cn1ccnc1C[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC22_89761408,PC-id_97075869	425.59	HCUIHPZPPUNMBG-KRWDZBQOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-127548
C[N@@H+]1CCC[C@@H](C1)C(=O)NCCc1nnc2n1CCN(CC2)Cc1cc(C)ccc1C	PC-id_51538644,GD-id_ZINC14974069	425.59	CJYZVHICUZNKIG-FQEVSTJZSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127549
N#Cc1c(NC(=O)CCN2CCCC(C2)Cc2nccn2C)sc2c1CCCCC2	EMOLS-id_45680023,PC-id_71914321,MCULE-8476167320	425.59	HCUIHPZPPUNMBG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-127550
N#Cc1c(NC(=O)[C@H]([N@H+](Cc2nc3c(s2)cccc3)C)C)sc2c1CCCCC2	GD-id_ZINC09465810,PC-id_41082126	425.59	FMSRAWDVUOJUCV-CQSZACIVSA-O	00000000100000100101000001000010000000000000000000000000	31-01-127551
O=C(Nc1ccc(C(C)(C)C)cc1)C[NH+]1CCN(CC1)Cc1n2CCCCCc2nn1	PC-id_30955878	425.59	PJCKZKNUJJPEPP-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127552
O=C(NC(c1n2CCN(CCc2nn1)Cc1c(cc(cc1)C)C)C)C1CC[NH+](CC1)C	PC-id_74558029	425.59	RNGREIKVEGOTFA-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127553
O=C(NCCc1n2CCN(CCc2nn1)Cc1cc(cc(c1)C)C)C1C[NH+](CCC1)C	PC-id_75670146	425.59	NSABDKKJEOAORU-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127554
O=C(NCCc1n2CCN(CCc2nn1)Cc1c(ccc(c1)C)C)C1C[NH+](CCC1)C	PC-id_75670410	425.59	CJYZVHICUZNKIG-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127555
O=C(NCCc1n2CCN(CCc2nn1)Cc1cc(cc(c1)C)C)[C@H]1C[NH+](CCC1)C	PC-id_51537619	425.59	NSABDKKJEOAORU-OAQYLSRUSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127556
O=C(NCCc1n2CCN(CCc2nn1)Cc1cc(cc(c1)C)C)[C@@H]1C[NH+](CCC1)C	PC-id_51537620	425.59	NSABDKKJEOAORU-NRFANRHFSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127557
O=C(NCCc1n2CCN(CCc2nn1)Cc1c(ccc(c1)C)C)[C@H]1C[NH+](CCC1)C	PC-id_51538643	425.59	CJYZVHICUZNKIG-HXUWFJFHSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127558
O=C(N[C@@H](c1n2CCN(CCc2nn1)Cc1c(cc(cc1)C)C)C)C1CC[NH+](CC1)C	PC-id_28390314	425.59	RNGREIKVEGOTFA-LJQANCHMSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127559
O=C(N[C@H](c1n2CCN(CCc2nn1)Cc1c(cc(cc1)C)C)C)C1CC[NH+](CC1)C	PC-id_28390317	425.59	RNGREIKVEGOTFA-IBGZPJMESA-O	00000000100010110101000000000010000000000000000000000000	31-01-127560
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+](Cc1sc2c(n1)cccc2)C)C)C#N	PC-id_41082122	425.59	FMSRAWDVUOJUCV-AWEZNQCLSA-O	00000000100000100101000001000010000000000000000000000000	31-01-127561
s1c2c(CCCCC2)c(c1NC(=O)C([NH+](Cc1sc2c(n1)cccc2)C)C)C#N	PC-id_74745360	425.59	FMSRAWDVUOJUCV-UHFFFAOYSA-O	00000000100000100101000001000010000000000000000000000000	31-01-127562
CN=C(NC1CCN(CC1)S(=O)(=O)CC)NCCCc1nnc2n1CCCCC2	PC-id_112076144	425.592	MQESDECAVUQIDP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-127564
CC1=Cc2c(C=C(C1)CCN1CCOCC1)sc(c2)C(=S)c1ccc(cc1)OC	PC-id_88985309,SCHEMBL12950550	425.607	KSKQLCLPDVFZRA-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-127565
CCCC(OC(=O)c1ccc(cc1)CC1CCCCCc2c1nnn2C(C)(C)C)(C)C	SCHEMBL19737589	425.607	YOWSMYMEEBRZNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127566
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(CCC(C)C)CCn12	EMOLS-id_20614541,PC-id_45220002,MCULE-9884325388	425.61	NHBLNSJZCGHRGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127567
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(CCC(C)C)CC3)c1	ZINC22_14958138,CoCoCo_1439880,CoCoCo_1439879	425.61	NHBLNSJZCGHRGQ-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127568
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(CCC(C)C)CC3)c1	ZINC22_14958142,CoCoCo_1439881,CoCoCo_1439882	425.61	NHBLNSJZCGHRGQ-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127569
CC1(C)[C@H]2CC=C(CN3CCc4nnc(CCNC(=O)C5CCCCC5)n4CC3)[C@@H]1C2	PC-id_42192102,ZINC22_11815395,CoCoCo_1233780,EMOLS-id_25996143,CoCoCo_1233781,MCULE-9308470326	425.61	IGPXOOYXYFAFDN-SFTDATJTSA-N	00001000100011000101001000000010000000000000000000000000	31-01-127570
O=C(C1CCCCC1)NCCc1nnc2n1CCN(CC2)CC1=CC[C@@H]2C[C@H]1C2(C)C	CoCoCo_1233779,CoCoCo_1233778	425.61	IGPXOOYXYFAFDN-NHCUHLMSSA-N	00001000100011000101001000000010000000000000000000000000	31-01-127571
O=C(NCCc1n2CCN(CC3=CCC4C(C3C4)(C)C)CCc2nn1)C1CCCCC1	PC-id_74777827	425.61	IGPXOOYXYFAFDN-UHFFFAOYSA-N	00001000100011000101001000000010000000000000000000000000	31-01-127572
CCN(C(c1ccccc1)CNC(=NC)NCCCc1nnc2n1CCCCC2)CC	PC-id_111010905	425.613	PFTKCIHQLAEADW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127573
CCNC(=NCC(c1ccccc1)N(CC)CC)NCCc1nnc2n1CCCCC2	PC-id_111011247	425.613	OFFPTZRQJOIIHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127574
CCNC(=NCCCc1nnc2n1CCCCC2)NCCN(c1cccc(c1)C)CC	PC-id_111330624	425.613	RWNKOGYQFAPWPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127575
CCNC(=NCCCN(c1ccccc1)CC)NCCCc1nnc2n1CCCCC2	PC-id_111390097	425.613	CLAZEUFYKFHDFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127576
CCNC(=NCCC(N(Cc1ccccc1)C)C)NCCc1nnc2n1CCCCC2	PC-id_111719146	425.613	FAUPZLZUZNYLQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127577
CN=C(NCCCc1nnc2n1CCCCC2)NCCC(N(Cc1ccccc1)C)C	PC-id_111719626	425.613	DCWIBIMKUCBOFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127578
c1(C(=O)NCCCN2CCN(CC2)c2cc(C)ccc2C)csc2CCCCCc12	EMOLS-id_16062907,CoCoCo_2171627,MCULE-1795238038,PC-id_20881895,CoCoCo_2171628	425.63	XNCDYVIHQISUKL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127579
Cc1cc2c(s1)CCCN(C2=O)CCCCN1CCN(CC1)c1cccc(c1C)C	PC-id_19881085,SCHEMBL9040097	425.63	HEYJNMHNGPTZFN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127580
CCc1nc(C)cc(c1CN1CCCc2c(C1=O)c(C)c(s2)CC1CCNCC1)C	PC-id_145396282	425.63	FUAWSDKYRBXKLM-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-127581
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cccc(Cl)n2)CCC3)cc1	EMOLS-id_313762760,ZINC22_1565556384	425.868	GBHKDIUEPRRBBC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-127582
Clc1ccc(cc1)Cn1c2C(=O)NCOCN(c2nc1S(=O)(=O)NC1CC1)C	SCHEMBL19505327	425.89	GWXDLOXZFANKCU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-127583
c1(CN(c2ccccc2OC)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	ChEMBL-DNDi_CHEMBLF2559-0112,ZINC22_16973299,EMOLS-id_10085708,CoCoCo_2580197,PC-id_27451081,MCULE-6690458542	425.911	BTILXKBJQPIKLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127584
c1(CN(c2ccc(cc2)OC)C(=O)Nc2ccccc2Cl)nnc2CCCCCn12	CoCoCo_6271540,MCULE-5624795652,EMOLS-id_10086678,ZINC22_15881878,PC-id_26842744,ChEMBL-DNDi_CHEMBLF2559-0160	425.911	CVCHLTMOXUDZHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127585
c1(CN(c2ccc(cc2)OC)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	TIMTEC427752,CoCoCo_5791666,MCULE-9135986762,EMOLS-id_543333,PC-id_3592137,ZINC22_2597897	425.911	RKYDRKIAAHYJDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127586
c1(CN(c2ccc(cc2)OC)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	PC-id_4011462,ZINC22_8867487,MCULE-1057254347,EMOLS-id_6784246,CoCoCo_6269346,TIMTEC559357	425.911	XVVFAULNAMRMGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127587
c1(CN(c2ccccc2OC)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	ZINC22_16973304,ChEMBL-DNDi_CHEMBLF2559-0111,CoCoCo_2580196,MCULE-8470522582,EMOLS-id_10085734,PC-id_27451086	425.911	RPNJRJGKQOLZEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127588
c1(CN(c2cccc(Cl)c2)C(=O)Nc2ccccc2OC)nnc2CCCCCn12	CoCoCo_6271262,ZINC22_27526440,PC-id_34883542,EMOLS-id_10085696,MCULE-7916837449	425.911	DELYKWPHFZSFOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127589
c1(CN(c2cccc(Cl)c2)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	PC-id_35024616,ZINC22_27642926,CoCoCo_6314154,MCULE-4721881547,EMOLS-id_10103457	425.911	QMWRWUZURKKFGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127590
c1(CN(c2ccc(c(Cl)c2)OC)C(=O)Nc2ccccc2)nnc2CCCCCn12	EMOLS-id_10095931,CoCoCo_6294014,ZINC22_27546225,MCULE-3139254806,PC-id_34908912	425.911	RZPRPYMUZIADRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127591
c1(CN(c2cccc(OC)c2)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	CoCoCo_2580179,ChEMBL-DNDi_CHEMBLF2559-0045,PC-id_27370296,EMOLS-id_10085620,ZINC22_16838771,MCULE-8569391382	425.911	INXBQOYHTMMMFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127592
c1(CN(c2cccc(OC)c2)C(=O)Nc2ccccc2Cl)nnc2CCCCCn12	EMOLS-id_10086892,CoCoCo_2580177,MCULE-4842193084,ZINC22_16960361,PC-id_27444877	425.911	FHWHBCPIVUYCGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127593
c1(CN(c2cccc(OC)c2)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	CoCoCo_2580178,PC-id_2370833,ZINC22_3254050,CHEMBL1551646,MCULE-2418946692,ChEMBL-DNDi_CHEMBLF2559-0044,EMOLS-id_3051676	425.911	RJNZBCCKXRDOAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127594
c1(CN(c2c(OC)ccc(Cl)c2)C(=O)Nc2ccccc2)nnc2CCCCCn12	PC-id_27443775,CoCoCo_2580269,EMOLS-id_10085940,ZINC22_16955237,MCULE-1812612502	425.911	HQATVEWWRRGHMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127595
C1CN(CCn2c1ncc2C(=O)NCCOc1ccccc1)Cc1c(cncc1)Cl	PC-id_134807968	425.911	RQMWNWLMQWPFQW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-127596
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)Cl	PC-id_4751337,MCULE-2858636073,ZINC22_16768924	425.911	MJUDNLQKXROTKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127597
c1(nnc2CCCCCn12)N(Cc1ccccc1OC)C(=O)Nc1ccc(cc1)Cl	PC-id_4752614,ZINC22_16769793,MCULE-8994076155	425.911	UJNNUVXXSPGAKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127598
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)OC)C(=O)Nc1cccc(Cl)c1	PC-id_4752004,ZINC22_16769285,MCULE-7314816389	425.911	SSHIMDGCIYQQQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127599
c1(nnc2CCCCCn12)N(Cc1ccccc1OC)C(=O)Nc1cccc(Cl)c1	ZINC22_16769809,MCULE-8170092247,PC-id_4752648	425.911	VABJEUMREPWYBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127600
c1(nnc2CCCCCn12)N(Cc1cccc(OC)c1)C(=O)Nc1ccccc1Cl	PC-id_4752782,ZINC22_16769886,MCULE-8835740139	425.911	XGJZTFWJIFLEDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127601
c1(nnc2CCCCCn12)N(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)Cl	ZINC22_16769780,PC-id_4752602,MCULE-8969405035	425.911	MDYOBXLUNHUGHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127602
c1(nnc2CCCCCn12)N(Cc1cccc(OC)c1)C(=O)Nc1cccc(Cl)c1	MCULE-4994959187,PC-id_4752611,ZINC22_16769789	425.911	BBYMIFDUIRPVTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127603
c1(nnc2CCCCCn12)N(Cc1cc(Cl)ccc1OC)C(=O)Nc1ccccc1	MCULE-8026411444,ZINC22_16769835,PC-id_4752698	425.911	PRBGFGYPPWHARR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127604
Clc1ccccc1CNC(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	EMOLS-id_207877242,MCULE-9368556750	425.911	SRYJJKQVLANDII-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-127605
Clc1c(NCc2ccccc2)ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c1	PC-id_56234777	425.911	RXDADKWGIFRFBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127606
Cl/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)CCNC(=O)c1cocc1	CoCoCo_1152565,CoCoCo_1152567	425.911	BMBNAOLVYYWOTQ-XMHGGMMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-127607
Cl/C(=Cc1ccccc1)/CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	CoCoCo_1152568,CoCoCo_1152566,EMOLS-id_44851335,ZINC22_19742071	425.911	BMBNAOLVYYWOTQ-RGEXLXHISA-N	00000000101000110101000000000010000000000000000000000000	31-01-127608
COc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(Cl)cc1	PC-id_16458773,MCULE-8485429261,CoCoCo_6601947,ZINC22_28527824	425.911	HKYDFYYOMZNEOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127609
COc1ccc(Cl)cc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccccc1	PC-id_16458797,CoCoCo_6602095,ZINC22_28527882,MCULE-8123516344	425.911	PKMAEAJCEFBOCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127610
COc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2Cl)c1	MCULE-1638566783,ZINC22_28534824,CoCoCo_6602606,PC-id_16458969	425.911	JJZHQWUUMHWLSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127611
COc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)c1	PC-id_16458771,ZINC22_28527820,CoCoCo_6601945,MCULE-8038750396	425.911	KIRQQUZJNGXQJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127612
COc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)cc2)c1	MCULE-1315278124,PC-id_16458767,CoCoCo_6601918,ZINC22_28527809	425.911	HVDKCQUEVXVBKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127613
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1	CoCoCo_6600928,ZINC22_28527532,MCULE-7236456416,PC-id_16458661	425.911	WYXWMQAMMYKKDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127614
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)cc2)cc1	CoCoCo_6600628,ZINC22_28527165,MCULE-7029848011,PC-id_16458523	425.911	WWNHOFTUZYNIOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127615
COc1ncc(cc1)CN1CCc2ncc(n2CC1)C(=O)NCc1cc(ccc1)Cl	PC-id_134805878	425.911	QRYKIYAGRRTYLC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-127616
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)CC(=Cc1ccccc1)Cl	PC-id_28310883,MCULE-5880669637	425.911	BMBNAOLVYYWOTQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127617
c1(NC(=O)C2CC(=CCC2C(=O)O)Cl)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_2399733,PC-id_2902002,STOCK1S-59280,MCULE-2691515428	425.926	AGNVPCNTOKYBED-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-127618
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)ccc(Cl)c1	PC-id_3297418	426.357	UQUSRDWRBSPSAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127678
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=CC[C@H]2C(=O)O)Cl)sc2c1CCCCC2	CoCoCo_792719,ZINC22_1177920,PC-id_1342259	425.926	AGNVPCNTOKYBED-TZMCWYRMSA-N	00000000100011000100000000000010000000000000000000000000	31-01-127619
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=CC[C@@H]2C(=O)O)Cl)sc2c1CCCCC2	PC-id_6981201,ZINC22_4229225,CoCoCo_792722	425.926	AGNVPCNTOKYBED-GXTWGEPZSA-N	00000000100011000100000000000010000000000000000000000000	31-01-127620
CCOC(=O)c1c(NC(=O)[C@H]2CC(=CC[C@@H]2C(=O)O)Cl)sc2c1CCCCC2	ZINC22_1177921,CoCoCo_792721,PC-id_1342260	425.926	AGNVPCNTOKYBED-JSGCOSHPSA-N	00000000100011000100000000000010000000000000000000000000	31-01-127621
CCOC(=O)c1c(NC(=O)[C@H]2CC(=CC[C@H]2C(=O)O)Cl)sc2c1CCCCC2	ZINC22_2273700,CoCoCo_792720,PC-id_1899179	425.926	AGNVPCNTOKYBED-OCCSQVGLSA-N	00000000100011000100000000000010000000000000000000000000	31-01-127622
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c(CCCCCC2)c1C#N	MCULE-9960371228,SPECS-id_AK-968/37172098,ZINC22_2095584,PC-id_1751996,EMOLS-id_1094666,TIMTEC608362,CoCoCo_5816640	425.931	ZYOACJCWPUYMAG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127623
Clc1cccc(c1)C(=O)N1CCc2nc(sc2CC1)C(=O)NCc1ccccc1	ZINC22_2055793536,EMOLS-id_313794104	425.931	QZQZABZNRMVRGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127624
Clc1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)Nc2ncccc2)cc1	PC-id_76335763	425.931	XCIOYIHIQFSQQF-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-127625
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)Nc2ncccc2)cccc1	PC-id_76332146	425.931	FTOXRHKCLNLSKE-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-127626
COc1ccc(NCc2n[n+](CC(=O)c3ccc(Cl)cc3)c3CCCCCn23)cc1	MCULE-9639261059,PC-id_4175540,CoCoCo_5791846,GD-id_ZINC04134974,ZINC22_4134974,EMOLS-id_300426696	425.931	MCGDDESUJWYRNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127627
Clc1ccc(S(=O)(=O)NC(C(=O)NCCc2n3CCCCCc3nn2)C)cc1	PC-id_76857792	425.933	CZBVAAWKVYMLKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127628
Clc1ccc(S(=O)(=O)N[C@H](C(=O)NCCc2n3CCCCCc3nn2)C)cc1	PC-id_60389524	425.933	CZBVAAWKVYMLKN-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127629
Clc1cc(C[C@@H]2CCCCc3c2[nH]nc3C(=O)N[C@H](C2CC=CC=C2)CO)ccc1	PC-id_70988007,SCHEMBL13753476	425.951	WFCAKFAZLLFZJK-VLQCZPCNSA-N	00000000100011110101000000000010000000000000000000000000	31-01-127630
Clc1cc(C[C@H]2CCCCc3c2[nH]nc3C(=O)N[C@H](C2CC=CC=C2)CO)ccc1	PC-id_70988008,SCHEMBL13753477	425.951	WFCAKFAZLLFZJK-MBSQGRNLSA-N	00000000100011110101000000000010000000000000000000000000	31-01-127631
C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1Cl	ZINC22_21138763,PC-id_29332142,MCULE-9945278737,CoCoCo_4639539,EMOLS-id_18813009	425.953	COHXUNGZRIVECX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127632
CCC(CC1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OC)Cl	PC-id_87588903	425.994	OWIHVWDFVGVNQT-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-127633
CCC(CC1CCCCCCc2cc1c([nH]2)/C=C/1C(=CC(=N1)c1ccc[nH]1)OC)Cl	PC-id_136414789,SCHEMBL3879433	425.994	RQQJRIUYCZCDLG-BUVRLJJBSA-N	00000011110000000100100000000010000000000000000000000000	31-01-127634
CCC(CC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OC)Cl	PC-id_136636459	425.994	RQQJRIUYCZCDLG-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-127635
ClC(CC1CCCCCCc2[nH]c(c1c2)/C=c
/[nH]c(=C2N=CC=C2)cc1OC)CC	PC-id_68824573	425.994	OWIHVWDFVGVNQT-QKSFICBDSA-N	00000011110000000100100000000010000000000000000000000000	31-01-127636
C=CC1=C(I)N=C(c2c(C1)n(I)nc2)N	PC-id_139540800,SCHEMBL21416300	425.996	TYKZKQDFSLSZTF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-127637
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)C=C(F)F	PC-id_154682063	426.061	LOAVMTHHQLBBGA-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-127638
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)C=C(F)F	PC-id_154682105	426.061	LOAVMTHHQLBBGA-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127639
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)C=C(F)F	PC-id_154682123	426.061	LOAVMTHHQLBBGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127640
CN1C=C2C(=C1C(=O)NC3=CC(=C(C(=C3)F)F)F)CC[C@@H](NS2(=N)=O)CC4CC4	PC-id_154991293	426.134	WLLUCKLJMCGNKH-BKVLDKJMSA-N	00100000100000110101000000000010000000000000000000000000	31-01-127641
CC1=C(C=C(C=C1)NC(=O)C2=C3CCC(NS(=O)(=O)C3=CN2C)C(C)(C#C)O)C#N	PC-id_160218435	426.136	HANFUOAJASXMFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127642
CC1CSC2=C1C=C(C=C2)C(C)N3CCC4=CC(=NN4CC3)NC5=NN=C(S5)C	PC-id_154685833	426.166	ZIQIXCIFSFSOTC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-127643
CC1CSC2=C1C=C(C=C2)C(C)N3CCC4=NC(=CN4CC3)NC5=NN=C(S5)C	PC-id_154685647	426.166	KQLLUSWFBTVNFW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-127644
CC(C)C(C(=O)CC1CC2=C(CNC(=O)C1=O)NC=N2)NC(=O)OCC3=CC=CC=C3	PC-id_148320943	426.19	LCXUYSXANSQZAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127645
CC(C)C(C(=O)CC1CC2=NC=CN2CNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_153001507	426.19	UYGFSDWWVAKAQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127646
CC(C)C(C(=O)CC1CN2C=CN=C2CNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_148021719	426.19	JAVFZDNPAXRJRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127647
CC1CC=C2C(=CC=C1)N=C(S2)OC3=CC=C(C=C3)OCCN(CCO)CC4CC4	PC-id_147460137	426.198	DZTQRJOMGHZVSF-UHFFFAOYSA-N	00100000100000110111000000000010000000000000000000000000	31-01-127648
C[C@@H]1CC[C@H](CCN1/N=C/CC(=CNC3=C2C=CN3)C(=O)N)C(=O)NCC(F)(F)F	PC-id_155032838	426.199	DTPWZUXLNOUVFB-RGHIQKGISA-N	00000000100000000110000000000010000000000000000000000000	31-01-127649
CCCCC1(CCCC)COc2c(OC1)c(sc2Br)Br	PC-id_101190098	426.207	CCLQJAQTVWOCER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127650
[125I]c1ccc(Cn2oc3c(CCN(CC3)C(=O)OC)c2=O)cc1	PC-id_71562550	426.222	FMIVXNYEAWICSD-QZIRHQCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127651
CC1=CC(=CC(=C1)COC(=O)N2CCCN3C(=CC(=N3)C(=O)NC4CCOCC4)C2)C	PC-id_162172529	426.227	ZNZAFLQPCZSHNU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127652
CN1C=CC2=C1/C(=NO)/CCN(C2)CCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F	PC-id_161158948	426.243	UPRCAPHFVFDBOW-ROMGYVFFSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127653
CCCCc1oc2c(c1[Se]c1ccccc1)CC(CCC2)Br	PC-id_101842894	426.249	NKJHFOSTPSBSPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127654
Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1I	MCULE-6672484055,PC-id_17524506,EMOLS-id_16746908,CoCoCo_4447339,ZINC22_11050465	426.252	WPHMOWYQZBWNSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127655
Cc1cc(I)ccc1NC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_16799273,PC-id_17540802,MCULE-8962567585,ZINC22_12789636,CoCoCo_4406392	426.252	QXUQBRBCLRSPBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127656
CN(C)/C=C(/CC(=O)c1cc2c([nH]1)C=CC(C(=C2)OCC(F)F)Br)C#N	PC-id_134448697,SCHEMBL20084353	426.255	LQUPPBRETJPJHB-LUAWRHEFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-127658
CC[C@H](C)[C@H]1C(=O)N[C@H](C2=NC(=NN2CCNCCCC(=O)N1)C)CC3=CC=CC=C3	PC-id_165419064	426.274	GZWHLLFZXHTSQJ-LRQRDZAKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127659
c1(NC(=O)c2c(I)cnn2C)sc2c(CCCCC2)c1C#N	CoCoCo_6597816,MCULE-3998106531,ZINC22_656846,PC-id_1001234,TIMTEC137430,EMOLS-id_4109546,SPECS-id_AK-968/41926262	426.275	DZARLTOBERJNDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127660
Brc1c(NC(=O)CSc2n3CCCCCc3nn2)ccc([N+](=O)[O-])c1	PC-id_24371234	426.288	HXPONOODRSAZHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127661
Clc1cc(C(=O)NCCNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1Cl	PC-id_78868245	426.297	DJTUBBQNUYUJPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127662
Brc1cc(F)c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_16509459	426.3	WCWVZJCPDSHMMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127663
Ic1c(C(=O)Nc2sc3CCCCCCc3n2)cccc1C	PC-id_56022753	426.315	NYBDPKWLXUNBTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127664
Brc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(oc1C)C	PC-id_55763100	426.325	WQTJTQSDDRJIBN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-127665
Brc1oc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cc1	PC-id_4434526	426.325	AYYGETVTLHPMJY-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-127666
c1(c2CCCCCc2sc1NC(=O)c1ccc(Br)o1)C(=O)OC(C)C	ZINC22_8431050,CoCoCo_742056,MCULE-3248615713,PC-id_2886766,ChEMBL-DNDi_CHEMBL6120622,TIMTEC157698,SPECS-id_AK-968/12163008,EMOLS-id_2127878	426.325	FVNUPGYGBNQMMD-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-127667
c1(NC(=O)c2ccc(Br)o2)sc2c(CCCCCC2)c1C(=O)OCC	SPECS-id_AK-968/11841773,EMOLS-id_4109627,TIMTEC251651,MCULE-7530795277,CoCoCo_6787952,ZINC22_994767,PC-id_1219872	426.325	JWLGZEFXASTUIP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-127668
CN(Cc1nnc2n1CCCCC2)C(=O)CNC(=O)c1ccc(Br)s1	EMOLS-id_32021842,MCULE-2503298054,ZINC22_48301192,PC-id_47051879	426.331	KAQXMGLVIRGCJB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-127669
Clc1cc(Cn2c3C(OCC(=O)ON)CCCCc3nc2C(C)C)ccc1Cl	SCHEMBL2511965,PC-id_67434803	426.337	SGLJVUFFOZREEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127670
[B]c1c([nH]c2c1C(=NCc1ccccc1OC)C(=C)C=C(N2)Sc1cnccc1)CC	PC-id_137061237	426.342	IKXNQDCLHKOOLM-UHFFFAOYSA-N	00000000100000111110000000000010000000000000000000000000	31-01-127671
c1(c2CCCCCc2sc1NC(=O)c1c(cccc1Cl)Cl)C(=O)OC(C)C	PC-id_2163640,ZINC22_2737779,MCULE-8866396751,CoCoCo_683889,TIMTEC213498,EMOLS-id_2095827	426.357	IGDDTILNJMCRHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127672
c1(NC(=O)c2c(cccc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_6813195,ZINC22_2737856,TIMTEC74269,EMOLS-id_2096401,PC-id_2163664,MCULE-6288876108	426.357	BGODKEFQUAUFLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127673
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCCCC2)c1C(=O)OCCC	MCULE-9085423096,PC-id_4688190,ZINC22_2752780,CoCoCo_5824172,TIMTEC247330,SPECS-id_AK-968/15253060,EMOLS-id_4109683	426.357	JRSCQLSAFHSFPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127674
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCCCCC2)c1C(=O)OCC	SPECS-id_AK-968/11986650,EMOLS-id_4109681,ZINC22_2081723,TIMTEC584126,PC-id_1741016,CoCoCo_5815875,MCULE-6516419215	426.357	YXINNXHYPBQELV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127675
c1(NC(=O)c2cc(Cl)ccc2Cl)sc2c(CCCCCC2)c1C(=O)OCC	ZINC22_2746554,TIMTEC207555,EMOLS-id_4109685,CoCoCo_5820040,MCULE-3778214090,PC-id_4147222	426.357	HZNAUVMWPHYZGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127676
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc(Cl)c1	PC-id_4572787	426.357	SSZMPZDYECCHBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127679
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cc(Cl)cc1	PC-id_4152682	426.357	IOWAJKDMYYMNNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127680
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cc(Cl)cc1	PC-id_4559705	426.357	SVBNPWKAYAIKTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127681
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)c(Cl)ccc1	PC-id_3452073	426.357	CIOYGHKKSMHRPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127682
Clc1c(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_4409172	426.357	XDPFXQNGCBYJRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127683
Clc1c(C(=O)NC(C(=O)Nc2sc3CCCCCCc3n2)C)cccc1Cl	PC-id_56021984	426.36	BWHRCUBCDAFJQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127684
Clc1cnc(c(c1)Cl)N1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112838298	426.363	USIGCQPTBZHCSV-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-127685
CCNC(=NCc1cc(c(n1C)Cl)Cl)NCCCc1nnc2n1CCCCC2	PC-id_109767269	426.386	VTHIWHHULHIECJ-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-127686
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c([N+](=O)[O-])cc(OCC)cc1	PC-id_19523670	426.39	ZTNDOLHPOZBXBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127687
Fc1ccc(c(c1)C(CC(C(F)(F)F)(Cn1[nH]c(=O)c2c1C=CCC=C2)O)(C)C)O	PC-id_142923185	426.405	XKAVQPMVTGXPAV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-127688
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(F)(F)C	SCHEMBL18353391	426.413	JSKZVLAAIVAROX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127689
CC(C)(C)OC(=O)N1CCCc2oc(cc2C1)C(=O)ON1C(=O)c2ccccc2C1=O	MCULE-8820393233,EMOLS-id_316741541	426.419	UJPIKPVOXOJSPC-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-127690
O(Cn1c2[nH]c(=O)cc(c(=O)c2c(c1)C(=O)OCC)C(=O)OCC)Cc1ccccc1	PC-id_22214980	426.419	DXVIJBZBTJPESQ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-127691
O=C=C1c2n(ccc2C(=C=O)CCN1C(=O)c1ccc(cc1)C(=O)O)Cc1ccccc1	PC-id_141284596	426.421	RHUGVRBBRZRTPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127692
COCCn1nc2CCC(CC(=O)NCc3ccc(cc3)C(F)(F)F)CCn2c1=O	MCULE-5319853796,EMOLS-id_207877352	426.433	DLRSLDNTLSRZRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127693
FC(F)(F)COc1c(OC)cc(CCC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_56314223	426.433	CJGDXNCZNTXOHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127694
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(n(nc1)CC)C(=O)N(C)C	PC-id_19523854	426.436	INTVVLCLAVFYAW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127695
C1C(COc2cscc2O1)(Cc1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)[N+](=O)[O-]	PC-id_86684653,SCHEMBL14935145	426.442	PFCRJTRHWVTDDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127696
c1(c2CCCCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1ccccc1OCC	ZINC22_1097828,EMOLS-id_2135764,CoCoCo_759178,ChEMBL-DNDi_CHEMBL6238238,PC-id_1279526,MCULE-6645980667,CK1929241	426.453	YDYGGOUDFXWEMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127697
CCC(n1/c(=N/C(=O)c2cccc(c2)C(F)(F)F)/sc2c1CCCCC2)C(=O)O	SCHEMBL14808577,PC-id_71537305	426.453	FDWXJNHUORKIHO-CLCOLTQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-127698
CCC(=O)Nc1c(c2c(s1)CCCCC2)C(=O)Nc1ccccc1OC(F)(F)F	PC-id_137635893	426.453	NQRSQQUYVBAWFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127699
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)F)C(=O)NCc1ccc(OC)cc1	PC-id_76314936	426.453	SDBDIOFRVHSDPO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127700
CCNC(=NCc1ccc(cc1C(F)(F)F)F)NCCc1nnc2n1CCCCC2	PC-id_111889311	426.454	LJCNAUVNOGWIHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127701
CN=C(NCc1ccc(cc1C(F)(F)F)F)NCCCc1nnc2n1CCCCC2	PC-id_111889553	426.454	QMFJLEZDJWSSSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127702
Fc1cc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)Cc2cc(F)ccc2)ccc1	PC-id_56212428	426.459	ISPOBGMCOXUPFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127703
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)c(OC)cc1O	PC-id_72423688	426.459	BANDZAKTORJCCU-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-127704
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)c(OC)cc1O	PC-id_58786204,SCHEMBL14590151	426.459	BANDZAKTORJCCU-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-127705
O1C(OC)([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O	PC-id_11582681,SCHEMBL5429116	426.459	SBWGSCCDYLYLLU-MLYSRARTSA-N	00000010100010110110100000000010000000000000000000000000	31-01-127706
O1[C@](OC)([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O	PC-id_69436982,SCHEMBL5429127	426.459	SBWGSCCDYLYLLU-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-127707
O1C(OC)(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1O	SCHEMBL14339160,PC-id_59029776	426.459	SBWGSCCDYLYLLU-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-127708
OC[C@H]1NS(=O)(=O)c2c(O[C@@H]1C(C)C)c(n(c2)C)C(=O)Nc1ccc(c(c1)N)F	SCHEMBL18357882	426.462	DCYDPJKZMUMJAE-CZUORRHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127709
C1CN(Cc2cc(nn2C1)C(=O)Nc1ccccc1)C(=O)c1c(cco1)c1ccccc1	PC-id_137655617	426.467	ANTDQUKPDQIHCT-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-127710
O=c1n2CCCCCc2nn1CC(=O)Nc1n(ncc1)Cc1c(OC)c(OC)ccc1	PC-id_55582191	426.469	HWGDAPKCGSFWSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127711
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1	PC-id_55858233	426.469	XFTWQEMTLFGWBX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127712
N#CC(c1nnc2n1CCCCC2)C(=O)c1cccc(c1)OCc1nc2n(c1)cccc2	PC-id_112821791	426.47	QKGVUXVWKBFGEM-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-127713
CCCN(C(=O)c1oc2c(c1)C=C(CC=C2)OC(F)(F)F)C(CN1CCCC1)CC	PC-id_142269600	426.472	CMBAULSYYODKQX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-127714
Fc1c(C(c2cc3-c(c2)ccccc3)(C)C)cc(C2OC(C(O)C(O)C2O)CO)cc1	PC-id_77444959	426.477	QLKYSFFSXKAASL-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-127715
Fc1c(C(c2cc3-c(c2)ccccc3)(C)C)cc([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc1	SCHEMBL12439554,PC-id_68264503	426.477	QLKYSFFSXKAASL-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-127716
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2cc(ccc2)C)C)cc(F)cc1	PC-id_74791982	426.482	IEFVMUWWAFLYNX-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127717
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2c(cccc2)C)C)cc(F)cc1	PC-id_74792050	426.482	MHLJYOBMAUHVDY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127718
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)C)C)cc(F)cc1	PC-id_74844191	426.482	FSMKVVGWSRPLQS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127719
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2cc(ccc2)C)C)cc(F)cc1	PC-id_42321231	426.482	IEFVMUWWAFLYNX-MRXNPFEDSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127720
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2cc(ccc2)C)C)cc(F)cc1	PC-id_42321239	426.482	IEFVMUWWAFLYNX-INIZCTEOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127721
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2c(cccc2)C)C)cc(F)cc1	PC-id_42322253	426.482	MHLJYOBMAUHVDY-MRXNPFEDSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127722
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2c(cccc2)C)C)cc(F)cc1	PC-id_42322258	426.482	MHLJYOBMAUHVDY-INIZCTEOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127723
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)C)C)cc(F)cc1	PC-id_42340656	426.482	FSMKVVGWSRPLQS-MRXNPFEDSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127724
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)C)C)cc(F)cc1	PC-id_42340657	426.482	FSMKVVGWSRPLQS-INIZCTEOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127725
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1F)C(=O)OC	PC-id_56093054	426.482	ZAZVMWWUZXWNMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127726
Fc1ccc(C(=O)N2CCN(CC2)CCCN2CCC(=O)c3n(ccc3C2=O)C)cc1	PC-id_21304043	426.484	SHUNHWHXYJCTNR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127727
Cc1c(cc(cc1)NC(=C)Nc1ccc(cc1)F)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478347	426.485	DAEUFDCBYMPZEC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-127728
C=C(Nc1ccc(cc1)F)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077364	426.485	DAEUFDCBYMPZEC-OGLMXYFKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-127729
CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	ZINC22_11852863,PC-id_4461795,MCULE-3171689871,EMOLS-id_5471808,CoCoCo_5015598	426.485	ODEQNTMBOGCIHE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-127730
COc1cc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1O	PC-id_6217548,CoCoCo_2953079,ZINC22_9119320	426.485	FIGCZFYJMACCBD-CSKARUKUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127731
Fc1ccc(c2ccc(C(=O)N3CCn4c(nnc4Cc4ccccc4)CC3)cc2)cc1	ChEMBL-DNDi_CHEMBL14034854,CoCoCo_1155327,PC-id_42436087	426.485	DOCJENIJRWRCCH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127732
N#Cc1c(NC(=O)COC(=O)/C=Cc2ccc(c(c2)OC)O)sc2c1CCCCC2	CoCoCo_2953080	426.485	FIGCZFYJMACCBD-NTMALXAHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127733
N#Cc1c(NC(=O)COC(=O)C=Cc2ccc(c(c2)OC)O)sc2c1CCCCC2	EMOLS-id_26039738,PC-id_4840351,MCULE-9727999051	426.485	FIGCZFYJMACCBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127734
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)OC	PC-id_3340520	426.485	KUMMDPNROKZMSB-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-127735
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1)cccc2)C(=O)NC(=O)OCC	PC-id_41563915	426.485	LMIKFUISLIFXMU-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-127736
s1c2c(CCCCC2)c(c1NC(=O)c1oc(Cn2c(=O)cccc2)cc1)C(=O)OC	PC-id_78883126	426.485	IPICLRUOYFSPQI-UHFFFAOYSA-N	00000000101000101100000000000010000000000000000000000000	31-01-127737
s1c2c(CCCCC2)c(c1NC(=O)CCN1C(=O)c2c(C1=O)cccc2)C(=O)OC	PC-id_52598429	426.485	RJTWFKRQQJVVBG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-127738
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1C(=O)c2c(C1=O)cccc2)C)C(=O)OC	PC-id_52598430	426.485	HHHYYYQDPQQVOC-LBPRGKRZSA-N	00000010100000100100000000001010000000000000000000000000	31-01-127739
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1C(=O)c2c(C1=O)cccc2)C)C(=O)OC	PC-id_52598431	426.485	HHHYYYQDPQQVOC-GFCCVEGCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-127740
s1c2c(CCCCC2)c(c1NC(=O)C(N1C(=O)c2c(C1=O)cccc2)C)C(=O)OC	PC-id_75878075	426.485	HHHYYYQDPQQVOC-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-127741
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1ccc(cc1)C(=O)C)C#N	PC-id_24379175	426.485	JMGACCHQZQXKPG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127742
CN(Cc1cn(C)nc1C)C(=O)C1CCCCc2nn(Cc3cccc(F)c3)c(=O)n12	MCULE-9330195720,EMOLS-id_207869571	426.487	PMIAMWBUFXRFNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127743
Fc1cc(c2n[nH]c(CCCN(C(=O)Cn3nc4n(CCCCC4)c3=O)C)c2)ccc1	PC-id_55954372	426.487	SKIAPBBFGRBUCW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127744
Fc1ccc(c2n[nH]c(CCCN(C(=O)Cn3nc4n(CCCCC4)c3=O)C)c2)cc1	PC-id_55867009	426.487	KHUYXQCKTBJEMZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127745
Fc1ccc(n2nc(C(C)(C)C)cc2NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55673836	426.487	JUOKZEVKCVFKRD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127746
O=C(NC1CSc2ccn(c2)CCCCC(NC1=O)C(=O)O)CCC(C(=O)O)N	SCHEMBL12809666,PC-id_59703101	426.487	UTGSYDWKZSJBLF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127747
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)c2cc(C)on2)c1	PC-id_97442476,ZINC22_96146952,EMOLS-id_44303872	426.489	WSQCURFWMDLUSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127748
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)c2cc(C)on2)cc1	PC-id_97442485,ZINC22_96146961,EMOLS-id_44303890	426.489	HRKZGUFTGXMSDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127749
o1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)ccc1CO	PC-id_42382612	426.489	NJMIAVCYWGHESQ-MRXNPFEDSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127750
o1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)ccc1CO	PC-id_42382615	426.489	NJMIAVCYWGHESQ-INIZCTEOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127751
o1c(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)ccc1CO	PC-id_74793804	426.489	NJMIAVCYWGHESQ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127752
O(c1ccc(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)cc1)C	PC-id_42459648	426.489	VLUWOBXHNKOEFP-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127753
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)ccc1OC)C	PC-id_42238594	426.489	SOMPBYVLMYIKMX-OAHLLOKOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127754
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)ccc1OC)C	PC-id_42238597	426.489	SOMPBYVLMYIKMX-HNNXBMFYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127755
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)ccc1OC)C	PC-id_74784749	426.489	SOMPBYVLMYIKMX-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127756
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(occ3)C)C)CC2)cccc1OC	PC-id_42340377	426.489	QIDPUSGLKFZPLU-CQSZACIVSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127757
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(occ3)C)C)CC2)cccc1OC	PC-id_42340379	426.489	QIDPUSGLKFZPLU-AWEZNQCLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127758
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)cccc1OC)C	PC-id_42501896	426.489	LDVSXLVHXIIKSZ-OAHLLOKOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127759
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)cccc1OC)C	PC-id_42501898	426.489	LDVSXLVHXIIKSZ-HNNXBMFYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127760
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)ccc(OC)c1)C	PC-id_42246396	426.489	IYLJGTGNHWYQNV-OAHLLOKOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127761
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)ccc(OC)c1)C	PC-id_42246398	426.489	IYLJGTGNHWYQNV-HNNXBMFYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127762
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)cc(OC)cc1)C	PC-id_42424695	426.489	NRHNNSIJJPOTOP-OAHLLOKOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127763
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)cc(OC)cc1)C	PC-id_42424697	426.489	NRHNNSIJJPOTOP-HNNXBMFYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127764
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)c(OC)ccc1)C	PC-id_26275627	426.489	GVJPOBOOLYYTJC-OAHLLOKOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127765
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)c(OC)ccc1)C	PC-id_26275629	426.489	GVJPOBOOLYYTJC-HNNXBMFYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127766
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(occ3)C)C)CC2)cccc1OC	PC-id_74844162	426.489	QIDPUSGLKFZPLU-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127767
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cccc1OC)C	PC-id_74808364	426.489	LDVSXLVHXIIKSZ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127768
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)ccc(OC)c1)C	PC-id_74785791	426.489	IYLJGTGNHWYQNV-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127769
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cc(OC)cc1)C	PC-id_74802201	426.489	NRHNNSIJJPOTOP-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127770
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)c(OC)ccc1)C	PC-id_74493848	426.489	GVJPOBOOLYYTJC-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127771
s1c2c(CCCCC2)c(c1NC(=O)CCc1onc(n1)c1cccnc1)C(=O)OC	PC-id_52638591	426.489	RWXJLEUPTNSWFW-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-127772
s1c2c(CCCCC2)c(c1NC(=O)CCc1onc(n1)c1ncccc1)C(=O)OC	PC-id_78883130	426.489	VJIJQZKBAJSZPB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-127773
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3n[nH]c4CCCCCc34)cc2)n1	EMOLS-id_335116725,MCULE-8427795157	426.492	LPWJONRTJBALMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127774
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)n1cnc2c1c(=O)n(C)c(=O)n2C	CoCoCo_4190372,PC-id_41190512,ZINC22_9730857	426.492	FELBPRROECAVFN-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127775
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)n1cnc2c1c(=O)n(C)c(=O)n2C	PC-id_41190511,ZINC22_9730856,CoCoCo_4190373	426.492	FELBPRROECAVFN-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-127776
CNC(=O)c1ccc(cc1)S(=O)(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	MCULE-9109768219,ZINC22_1506402122,EMOLS-id_316238115	426.492	IQXWFHCJOCFGKC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-127777
N#Cc1c(sc2c1CCCCC2)NC(=O)C(n1cnc2c1c(=O)n(C)c(=O)n2C)C	EMOLS-id_11764124,MCULE-1848288758,PC-id_16328107	426.492	FELBPRROECAVFN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127778
S1CC(N(C1)C(=O)Cn1nc2n(CCCCC2)c1=O)C(=O)Nc1ccc(cc1)C#N	PC-id_56308290	426.492	ZDSKWAYVBVAEHF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127779
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(OC(F)F)cc1)C(=O)OC	PC-id_20173829	426.501	TWWKTYBEMXLTCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127780
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC(F)F)cccc1)C(=O)OC	PC-id_20172186	426.501	KTHRATRFRZABBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127781
CCOC(=O)c1c(c2c(s1)C/C(=CC=C/C=C)/N(CC2)C(=O)c1ccc(cc1)N)F	SCHEMBL20619523,PC-id_137388914	426.504	ZZQUSNXYDYJUTM-IANWOCAHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127782
CCCc1cc(c2-c1ccccc2)S(=O)(=O)NCCc1ccc(cc1)OCC(=O)[O-]	GD-id_ZINC13826230	426.505	IKZMBXISBNQTRV-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-127783
CCCCCc1n2cc(c1[2H])SC[C@H](NC(=O)CC[C@H]2C(=O)O)C(=O)NCC(=O)O	SCHEMBL14006629,PC-id_59842013	426.505	ATKNHDZGTAUMPL-KHLWGQFSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127784
CCOC(=O)c1cc2c(n1Cc1cc(OC)ccc1OC)C(=O)C(=CN(C)C)CCC2	PC-id_122705228,SCHEMBL18250049	426.505	PVBJEVOUOOZUDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127785
CCOC(=O)c1cc2c(n1Cc1cc(OC)cc(c1)OC)C(=O)/C(=C/N(C)C)/CCC2	PC-id_122705234,SCHEMBL18250055	426.505	DCEFGPRJGTVMGE-OBGWFSINSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127786
CCOC(=O)c1cc2c(n1Cc1cc(OC)ccc1OC)C(=O)/C(=C/N(C)C)/CCC2	PC-id_145189627	426.505	PVBJEVOUOOZUDN-SAPNQHFASA-N	00000000100000110100000000000010000000000000000000000000	31-01-127787
CCOC(=O)c1cc2c(n1Cc1cc(OC)cc(c1)OC)C(=O)C(=CN(C)C)CCC2	PC-id_145189630	426.505	DCEFGPRJGTVMGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127788
[O-]C(=O)COc1ccc(cc1)CCNS(=O)(=O)c1cc(c2-c1ccccc2)C(C)C	GD-id_ZINC13826232	426.505	OZVBLKWGJIVCIW-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-127789
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C)C	SCHEMBL9336993,PC-id_19102918	426.507	ZRYIHSGTYDCDMQ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-127790
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)OC)ccc(=O)cc2	PC-id_86747534	426.507	KTBUVXTUOYEFPW-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-127791
CCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)ccc(=O)cc2	SCHEMBL9335804,PC-id_19102851	426.507	FEKFXKYDPOQNBA-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-127792
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2oc(cc2)CC)cc1	PC-id_42328710	426.507	DUESPPRGAXAUDZ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127793
Fc1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1	PC-id_26341829	426.507	OBZMPLULMLOMHK-LJQANCHMSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127794
Fc1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1	PC-id_26341832	426.507	OBZMPLULMLOMHK-IBGZPJMESA-O	00000000101000110101000000000010000000000000000000000000	31-01-127795
Fc1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)ccc1	PC-id_74498495	426.507	OBZMPLULMLOMHK-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-127796
OCC[C@@H]1c2ccsc2CCN([C@@H]1C(=O)NO)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966496	426.507	SKMZDMJHIDHFHX-WBVHZDCISA-N	00000000100000110100000000000010000000000000000000000000	31-01-127797
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCO)C(=O)NO)c1ccc(OC)cc1	PC-id_54310475	426.507	SKMZDMJHIDHFHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127798
CC(C)C1COCC=CCn2cc(CC(C(=O)N1)N(Cc1ccccc1)C(=O)O)nc2	PC-id_87354809	426.509	VXQQECAMETWFLY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-127799
CC(C)C1COCC=CCn2cc(CC(C(=O)N1)NC(=O)OCc1ccccc1)nc2	PC-id_86655968	426.509	PAKXXKYINRWESR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-127800
CC([C@H]1COC/C=CCn2cc(C[C@H](C(=O)N1)N(C(=O)O)Cc1ccccc1)nc2)C	SCHEMBL2215246	426.509	VXQQECAMETWFLY-RWNOFTCYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-127801
CC([C@H]1COCC=CCn2cc(C[C@H](C(=O)N1)N(C(=O)O)Cc1ccccc1)nc2)C	SCHEMBL2215251,PC-id_67319851	426.509	VXQQECAMETWFLY-NHCUHLMSSA-N	00000000100000110111000000000010000000000000000000000000	31-01-127802
O=C(N[C@@H]1Cc2ncn(c2)C/C=CCOC[C@@H](NC1=O)C(C)C)OCc1ccccc1	PC-id_140565351	426.509	PAKXXKYINRWESR-RWNOFTCYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-127803
CC1CCCN(C1)c1ccc(cc1[N+](=O)[O-])C(=O)N(Cc1nnc2n1CCCCC2)C	EMOLS-id_24004114,MCULE-5771815978,PC-id_42886130	426.512	LUOGZPIWIARORL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127804
CC1CCN(c2ccc(C(=O)NCCc3nnc4n3CCCCC4)cc2[N+](=O)[O-])CC1	CoCoCo_4559877,ZINC22_14370576,MCULE-1666841426,CoCoCo_4559876,EMOLS-id_25019279,PC-id_26063742	426.512	GIQWNFOXFKCHRN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127805
CC(CC1C(=O)NCCCC(=O)c2n(CCCC(=O)N1Cc1ccccc1)nnn2)C	PC-id_122217635	426.512	MXPNGGLSZHPZKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127806
C[C@@H]1CCCN(c2ccc(C(=O)N(C)Cc3nnc4n3CCCCC4)cc2[N+](=O)[O-])C1	PC-id_40134763,CoCoCo_4594988,ZINC22_32898822,CoCoCo_4594987	426.512	LUOGZPIWIARORL-MRXNPFEDSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127807
C[C@H]1CCCN(c2ccc(C(=O)N(C)Cc3nnc4n3CCCCC4)cc2[N+](=O)[O-])C1	ZINC22_32898823,CoCoCo_4594990,PC-id_40134764,CoCoCo_4594989	426.512	LUOGZPIWIARORL-INIZCTEOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127808
C[C@@H](C(=O)NCCN(C)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_92986864	426.512	ROLPFKYPBRYPQD-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127809
C[C@H](C(=O)NCCN(C)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_92986865	426.512	ROLPFKYPBRYPQD-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127810
CN(C)CCNC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049570,EMOLS-id_25388022,MCULE-6668303687	426.512	RNQDVMIGSLJJKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127811
CN1CCN(CC1)c1cc(nc(n1)/C=C/c1ccccc1)Nc1[nH]nc2c1C=CCC=N2	PC-id_143436263	426.517	YQERBYJJXBARJP-ZHACJKMWSA-N	00000000100010110111100000000010000000000000000000000000	31-01-127830
COc1cc(C)c(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)cc1C	MCULE-2076127203,PC-id_45195243,EMOLS-id_20507657	426.512	KSLDVNIUVBTYGH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127812
COc1cc(C)c(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)cc1C	CoCoCo_1282247,ZINC22_20774739,CoCoCo_1282248	426.512	KSLDVNIUVBTYGH-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127813
COc1cc(C)c(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1C	ZINC22_20774742,CoCoCo_1282250,CoCoCo_1282249	426.512	KSLDVNIUVBTYGH-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127814
COc1ccc(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)c(C)c1C	EMOLS-id_20641709,MCULE-8981985743,PC-id_45226497	426.512	PKSZBHZXRLHIBP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127815
COc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)c(C)c1C	CoCoCo_1481283,ZINC22_14980513,CoCoCo_1481282	426.512	PKSZBHZXRLHIBP-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127816
COc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)c(C)c1C	CoCoCo_1481284,ZINC22_14980516,CoCoCo_1481285	426.512	PKSZBHZXRLHIBP-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127817
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(C(=O)N2CCN(CC2)C)cc1	PC-id_55714674	426.512	OFXGCQXLWKBJTA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127818
O=c1n2CCCCCc2nn1CC(=O)NCCC(=O)N1CCN(CC1)c1ccccc1	PC-id_56244945	426.512	WISWZYLFDZRDMI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127819
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCCN(C)C)Cc1ccc(cc1)C	PC-id_46049684	426.512	JUBLLVNIHRVDIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127820
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCCN(C)C)Cc1cc(ccc1)C	PC-id_46049745	426.512	AMLIDVLUFDTGJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127821
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCCN(C)C)Cc1c(cccc1)C	PC-id_46049775	426.512	QJZRJFWSGJKCKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127822
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN(C)C)C)Cc1ccccc1	PC-id_46049562	426.512	ROLPFKYPBRYPQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127823
O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NCc1nnc2n1CCCCC2	MCULE-2840503214,ZINC22_72310338,PC-id_72109674,EMOLS-id_42921621	426.512	BAJBZNDQDXQSOW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127824
O=C(N)C1CCN(CC1)Cc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55858781	426.512	VAXUBZMVTUWOJR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127825
O=C(N)C1CN(CCC1)Cc1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56507141	426.512	GLKAWJBDHBJBSZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127826
O=C(N)C1CN(CCC1)Cc1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_56307892	426.512	XEXOQIGGDTYBOH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127827
O=C(NCc1nnc2n1CCCCC2)c1cn(Cc2ccccc2)nc1c1ccccc1	MCULE-8859384110,ZINC22_24925091,PC-id_24250033,CoCoCo_4336665,EMOLS-id_17220053	426.514	CHNMSIWSFLSHKA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127828
s1c2CCCCCc2c(c1NC(=O)CSc1n(nnn1)c1ccc(O)cc1)C#N	PC-id_28218013	426.515	XFZOEFQMBUUKCF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127829
S=c1n(C[NH+]2CCN(CC2)Cc2cccc(c2)C(F)(F)F)nc2n1CCCCC2	GD-id_ZINC32533236	426.522	ZPYWMTXXBILQQT-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127831
c1(CN(C)C(=O)CCC2(CCC(=O)N2)Cc2ccc(cc2)F)c2CCCCCc2[nH]n1	MCULE-2504479884,PC-id_118753969,EMOLS-id_68868709	426.527	OHMOBEPXCSSYLD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127832
CN(Cc1n[nH]c2c1CCCCC2)C(=O)CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1	ZINC22_299766451	426.527	OHMOBEPXCSSYLD-DEOSSOPVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127833
CN(Cc1n[nH]c2c1CCCCC2)C(=O)CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1	ZINC22_299766455	426.527	OHMOBEPXCSSYLD-XMMPIXPASA-N	00000010100000110101000000000010000000000000000000000000	31-01-127834
Fc1ccc(C(=O)C2CCN(CC2)CCCN2Cc3c(n(cc3)C)C(=NO)CC2)cc1	PC-id_59987748	426.527	UPRCAPHFVFDBOW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127835
Fc1ccc(N2CCN(CC2)CCCN2CCC(=O)c3c(n(CCC)cc3)C2=O)cc1	PC-id_10574445	426.527	SGEVNMYMNCMIRW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127836
O=CN(C(=C)/C=CC(=C)C)CC1(OC)CCN(CC1)Cc1[nH]nc2c1CC=C(C=C2)F	PC-id_144334803	426.527	WGZOXCPWIRJGJH-WAYWQWQTSA-N	00000000100010000111000000000010000000000000000000000000	31-01-127837
C1CN(c2c(CN(C1=O)Cc1ccccc1)scc2)CC(COCc1ccco1)O	PC-id_134786723	426.529	IDYRIMYNOZYYJB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-127838
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	MCULE-4911339512,CoCoCo_4093071,PC-id_16350049,ZINC22_9642850,EMOLS-id_11795077	426.529	OULLYXUIQBCUGK-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-127839
s1c2c(CCCCC2)c(c1NC(=O)c1cc(CN2CCCC2=O)ccc1)C(=O)OC	PC-id_52638607	426.529	MINFIJJUKZEWHH-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-127840
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1cc(C(=O)NC2CC2)ccc1	PC-id_24568684	426.529	LNGFZQNSYWECIW-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-127841
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1c(C(=O)NC2CC2)cccc1	PC-id_16512683	426.529	WYRHOSGPILKXBM-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-127842
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(OC)ccc1F)C(C)C)C	PC-id_74799362	426.529	BACFPSIJHDFYFN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127843
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(F)cc1)C(C)C)C	PC-id_74794844	426.529	HLGDRJZUFGVZOQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127844
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)ccc1F)C(C)C)C	PC-id_42363181	426.529	BACFPSIJHDFYFN-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127845
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)ccc1F)C(C)C)C	PC-id_42363185	426.529	BACFPSIJHDFYFN-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127846
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(F)cc1)C(C)C)C	PC-id_42397635	426.529	HLGDRJZUFGVZOQ-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127847
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(F)cc1)C(C)C)C	PC-id_42397637	426.529	HLGDRJZUFGVZOQ-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127848
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[n+]([nH]oc1=O)C)C(=O)OCC	PC-id_53294345	426.53	XFWRSBFIZYVHIT-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-127849
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)C)CC)C(=O)OC	PC-id_53292994	426.53	XSRLOBSNYKHYRX-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-127850
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)C)C)C(=O)OCC	PC-id_53292772	426.53	UYPKSHLWVNWNDE-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-127851
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[n+]([nH]oc1=O)C)C(=O)OC	PC-id_53294347	426.53	OACBEKRXIBRARQ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-127852
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)C)C)C(=O)OC	PC-id_53292774	426.53	HTQZIFTWCGVPQA-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-127853
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[n+]([nH]oc1=O)C)C(=O)OCC	PC-id_53292246	426.53	OMJWAIPCVOHSRK-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-127854
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(C(=O)c2ccco2)CC1	ZINC22_35362555,PC-id_41082386,CoCoCo_4224334	426.532	KKBDLAUVGQGAMU-HNNXBMFYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-127855
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(C(=O)c2ccco2)CC1	ZINC22_35362558,PC-id_41082389,CoCoCo_4224333	426.532	KKBDLAUVGQGAMU-OAHLLOKOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-127856
CC(N1C(=O)NC(CCC(=O)Nc2nc3CCCCCc3s2)C1=O)c1ccccc1	EMOLS-id_323467404,MCULE-3465828112	426.532	XEPVCZBQZSJJTH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127857
COC(=O)c1c(sc2c1CCCCC2)NC(=O)c1cc(C)nc2c1cnn2C(C)C	PC-id_112831065	426.532	WPVZVIBUDVZWRA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127858
n12CCC(CCc1nn(CCOc1ccccc1)c2=O)C(=O)NCCc1cccs1	EMOLS-id_207876638,MCULE-9875336406	426.532	QCVILPSZFGKGLQ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-127859
N#Cc1c(NC(=O)CN2CCCC2C(=O)NCc2ccco2)sc2c1CCCCC2	MCULE-4454230585,PC-id_45876370,EMOLS-id_29581826	426.532	WEDXYYXHYBXLQQ-UHFFFAOYSA-N	00000010101000000100000000000010000000000000000000000000	31-01-127860
N#Cc1c(NC(=O)CN2CCC[C@@H]2C(=O)NCc2ccco2)sc2c1CCCCC2	ZINC22_27141629,CoCoCo_4799324,PC-id_34452263,CoCoCo_4799322	426.532	WEDXYYXHYBXLQQ-GOSISDBHSA-N	00000010101000000100000000000010000000000000000000000000	31-01-127861
N#Cc1c(NC(=O)CN2CCC[C@H]2C(=O)NCc2ccco2)sc2c1CCCCC2	ZINC22_27141633,PC-id_34452268,CoCoCo_4799325,CoCoCo_4799323	426.532	WEDXYYXHYBXLQQ-SFHVURJKSA-N	00000010101000000100000000000010000000000000000000000000	31-01-127862
N#Cc1c(NC(=O)C(N2CCN(CC2)C(=O)c2ccco2)C)sc2c1CCCCC2	MCULE-4339222544,EMOLS-id_11802292,PC-id_16357772	426.532	KKBDLAUVGQGAMU-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-127863
s1c2CCCCCc2cc1C(=O)NNC(=O)CCn1c2c(n(c1=O)CC)cccc2	PC-id_34035528	426.532	WVWMYVWPXOAHBV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127864
s1c2c(CCCCC2)c(c1NC(=O)c1cc2c(n(nc2)C(C)C)nc1C)C(=O)OC	PC-id_55763040	426.532	HPMOZVGEYOREEU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127865
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)c1oc(cc1)C)C#N	PC-id_56382585	426.532	WSEQRAXHPXNASC-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-127866
s1c2CCCCCc2c(c1NC(=O)C(Nc1ccc(NC(=O)OCC)cc1)C)C#N	PC-id_60542409	426.532	ROEMRPRXHUBIBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127867
s1c2CCCCCc2c(c1NC(=O)C(Nc1c(OC)ccc(NC(=O)C)c1)C)C#N	PC-id_55434222	426.532	OHMXYIOJJSXFPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127868
s1c2CCCCCc2c(c1NC(=O)CN(CC(=O)Nc1cc(OC)ccc1)C)C#N	PC-id_27242201	426.532	XNIMAEMEKSHHFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127869
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(c(N2CCNC2=O)cc1)C	PC-id_60566827	426.532	IDISQWLAGAZEIC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-127870
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)NC2CC2)ccc1	PC-id_60527575	426.532	KFIKHMTULAMPPA-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-127871
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCC1C(=C(C(=O)N=C1C)C#N)C	PC-id_74290063	426.532	WJYRPOJVKROWRZ-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-127872
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1c(c(c(=O)[nH]c1C)C#N)C	PC-id_24514861	426.532	RYGTYKHQEAIREV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-127873
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)c1occc1)C#N	PC-id_22200189	426.532	SYZVRBJYORSOGU-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-127874
s1c2CCCCCCc2nc1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(cc1)C)C	PC-id_56022233	426.532	WAGQNKUICNWQOM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-127875
Cc1c(NC(=O)[C@@H](C)Sc2nnc3n2CCCCC3)c(=O)n(c2ccccc2)n1C	PC-id_41138004,ZINC22_9592973,CoCoCo_3081405	426.535	OBMARVXIJBBQGZ-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127876
Cc1c(NC(=O)[C@H](C)Sc2nnc3n2CCCCC3)c(=O)n(c2ccccc2)n1C	PC-id_41138006,CoCoCo_3081406,ZINC22_9592976	426.535	OBMARVXIJBBQGZ-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127877
CC(C(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1)Sc1nnc2n1CCCCC2	MCULE-6573891559,PC-id_16364606,EMOLS-id_11812311	426.535	OBMARVXIJBBQGZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127878
COc1cncc(n1)N1CCN(CC1)CC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_86959653	426.535	UCIJKOYCQKADNT-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-127879
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1c(n2ncnc2nc1C)C	PC-id_28232558	426.535	ZMMOGRDYMBVHTJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127880
s1c(c2nn(cc2/C=C(/c2n3CCCCCc3nn2)C#N)Cc2ccccc2)ccc1	PC-id_27115458	426.537	OTWXSEZBXSBGLR-XMHGGMMESA-N	00000000100100110101100000000010000000000000000000000000	31-01-127881
s1c(c2nn(cc2C=C(c2n3CCCCCc3nn2)C#N)Cc2ccccc2)ccc1	PC-id_74519852	426.537	OTWXSEZBXSBGLR-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-127882
Cc1c(ccc(c1)c1nn(c(c1)C(C)C)CC(=O)N1CCc2c(CC1)sc(n2)C)F	SCHEMBL15001997,PC-id_89607914	426.55	KWPFPZZGHUDUGL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127883
Cc1nc2c(s1)CCN(CC2)C(=O)Cn1cc(nc1C(C)C)c1ccc(c(c1)C)F	SCHEMBL15025262,PC-id_71656753	426.55	OPEJILAKOLBIQI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127884
CCc1cc(nn1CC(=O)N1CCc2c(CC1C)sc(n2)C)c1ccc(c(c1)C)F	SCHEMBL15001904,PC-id_89607826	426.55	UXKWPVVLYOHGJF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127885
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1cc(C)c(c(c1)C)F	SCHEMBL15002117,PC-id_89608028	426.55	RRMDYPBCLBLAEB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127886
CCCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(c(c1)C)F	SCHEMBL15002017,PC-id_89607930	426.55	IERKRGRGQNJEOH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127887
Fc1ccc(cc1)CCn1c(C)cc(c1C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3081704,CoCoCo_3081707	426.55	HEWJQHMCFBSNSX-QNGOZBTKSA-N	00000000110000110101000000000010000000000000000000000000	31-01-127888
Fc1ccc(cc1)CCn1c(C)cc(c1C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3081706,CoCoCo_3081705	426.55	HEWJQHMCFBSNSX-RCCKNPSSSA-N	00000000110000110101000000000010000000000000000000000000	31-01-127889
Fc1ccc(cc1)CCn1c(C)cc(c1C)C(=O)CSc1nnc2n1CCCCC2	MCULE-6281872975,EMOLS-id_11747489,CoCoCo_3081703,PC-id_7876919	426.55	LEXQTCXPZFEBAQ-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-127890
N#Cc1c(NC(=O)CCN2CCN(c3ccc(F)cc3)CC2)sc2c1CCCCC2	PC-id_8703871,CoCoCo_3568273,CoCoCo_3568274,MCULE-5464339437,ZINC22_7600498,EMOLS-id_48932049	426.55	LTEIJZWZCYSKRV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127891
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)c1ccc(F)cc1)C)C#N	PC-id_9431521	426.55	HQUZWAQNBHTOOY-INIZCTEOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127892
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CCN(CC1)c1ccc(F)cc1)C)C#N	PC-id_9431527	426.55	HQUZWAQNBHTOOY-MRXNPFEDSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127893
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)c1ccc(F)cc1)C)C#N	PC-id_85008349	426.55	HQUZWAQNBHTOOY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127894
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)c1c(F)cccc1)C)C#N	PC-id_55430351	426.55	MFGDJYAPZRJXGY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127895
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(F)cc1)C#N	PC-id_22195893	426.55	MYLFGZUHLIKAKZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127896
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(F)ccc1)C#N	PC-id_22195693	426.55	HBNUHYIGXCYHBS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127897
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1c(F)cccc1)C#N	PC-id_46802398	426.55	DGUWESIRYZPVKK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127898
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(F)cc1)C#N	PC-id_22198400	426.55	QAQSQOFIZQQIKJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127899
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(F)cccc1)C#N	PC-id_22199093	426.55	MYIOATOILNQBMP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127900
c1(c2CCCCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)OC	EMOLS-id_1231017,BAS-00486844,PC-id_1202860,SPECS-id_AG-690/12883478,MCULE-1536161780,ZINC22_970533,CoCoCo_81774	426.552	IXJFIKONECJPHF-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-127901
c1(c2CCCCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccccc1OC	PC-id_1284320,ZINC22_1104446,EMOLS-id_1231021,CoCoCo_81776,BAS-00486848,MCULE-3663304806	426.552	UQAXNFOQNQJSKN-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-127902
CCn1cc(c2c1C(O)CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)O)C	PC-id_22737954,SCHEMBL6775526	426.552	KJUNMLCOZSQBHQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127903
CC[N@H+](Cc1ccc2c(c1)OCO2)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_51908280,GD-id_ZINC39530046	426.552	PKAJQVGQFRFHOW-UHFFFAOYSA-O	00000010100000100101000000001010000000000000000000000000	31-01-127904
CCOC1CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccc(cc1)O	SCHEMBL6780512,PC-id_22737961	426.552	NYVOWASUISVEPQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127905
COc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)OC	PC-id_18388579,SCHEMBL7501229	426.552	LMTXLKXCYBIMAW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127906
COc1ccccc1N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)OC	PC-id_22738081,SCHEMBL6774076	426.552	XUZNXVGJRJXMEG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127907
COC1CCN(C(=O)c2c1n(C)cc2C)CCCN1CCN(CC1)c1ccc(cc1)O	PC-id_22737891,SCHEMBL6769942	426.552	FEUZPPQSEGNGMM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127908
COC1CCN(C(=O)c2c1n(CC)cc2)CCCN1CCN(CC1)c1ccc(cc1)O	SCHEMBL6769701,PC-id_22738050	426.552	XUULOMOHJVUKHY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127909
CSc1ccc(cc1)/C=CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_3086767	426.552	WFDYHHJOUHCPNL-XFXZXTDPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127910
CSc1ccc(cc1)C=CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_3626412,MCULE-8822259845,EMOLS-id_26050436	426.552	WFDYHHJOUHCPNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127911
CSc1ccc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	CoCoCo_3086766,PC-id_5878884,ZINC22_9664405	426.552	WFDYHHJOUHCPNL-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-127912
s1c2CCCCCc2cc1C(=O)OCc1nc(sc1)N(c1ccccc1)C(=O)C	PC-id_16509367	426.552	IWRRVOJHTPGOOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127913
CC(C)c1ccc(cc1)S(=O)(=O)N1CCCn2cnc(CNS(=O)(=O)C)c2C1	ZINC22_96084675,EMOLS-id_46182373,PC-id_97405498	426.553	SHFBWZNRFJTIJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127914
s1c2c(CCCCC2)c(c1NC(=O)CSC1NC(N)CC(=O)N1)C(=O)OCC	PC-id_78263495	426.553	NENDGVKDEWIWPW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-127915
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(cc3)SC)n2)/sc2c(CCCCC2)[nH]1	MCULE-1721398239,EMOLS-id_46560219,ZINC22_61718267,STOCK7S-12399,EMOLS-id_35783988,PC-id_52898407	426.555	PSPGJZOOZWJUFU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127916
CCN1CCN(Cc2ccccc2CNC(=O)Cn2nc3n(c2=O)CCCCC3)CC1	EMOLS-id_320297455,PC-id_55715003,ZINC22_107591336,MCULE-9180122360	426.555	VSWUBHSBZHTILG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127917
CCNC(=NCc1cc2OC(Cc2cc1OCC)C)NCc1nnc2n1CCCCC2	PC-id_111381534	426.555	NOHUZZRDWPNNFM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-127918
CCNC(=NCc1ccc(cc1OC1CCOC1)C)NCc1nnc2n1CCCCC2	PC-id_109741955	426.555	LKKSYUHAWRLXSH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127919
CCOc1cc2CC(Oc2cc1CNC(=NC)NCCc1nnc2n1CCCCC2)C	PC-id_111381588	426.555	CZECCGLTDBXRBN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-127920
CCOc1ccccc1CN1CCc2nnc(CNC(=O)C3CCCN(C)C3)n2CC1	EMOLS-id_20492299,MCULE-5783216986,PC-id_45191757	426.555	ZNRWWRRWOJIMRC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127921
CCOc1ccccc1CN1CCc2nnc(CNC(=O)[C@@H]3CCCN(C)C3)n2CC1	CoCoCo_1260162,CoCoCo_1260164,CoCoCo_1260163,ZINC22_12035472,CoCoCo_1260161,PC-id_29085812	426.555	ZNRWWRRWOJIMRC-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127922
CCOc1ccccc1CN1CCc2nnc(CNC(=O)[C@H]3CCCN(C)C3)n2CC1	ZINC22_12035475,CoCoCo_1260158,CoCoCo_1260159,CoCoCo_1260157,CoCoCo_1260160,PC-id_29085814	426.555	ZNRWWRRWOJIMRC-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-127923
CN=C(NCc1ccc(cc1OC1CCOC1)C)NCCc1nnc2n1CCCCC2	PC-id_109741975	426.555	HTZNBIXVCCFIGS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127924
CN=C(NCc1nnc2n1CCCCC2)NCc1cccc(c1OC1CCCC1)OC	PC-id_111564145	426.555	LFQNTSQRQFEGRV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127925
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1OCC1CCOC1)C	PC-id_109601540	426.555	GYHOEWXJYMRHMW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127926
COc1cccc(c1)C(N1CCCC1)CNC(=O)NCCc1nnc2n1CCCCC2	PC-id_112829105	426.555	XBXNSBKMYBIPQT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-127927
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(cc3)N3CCCC3)CCn12	MCULE-6938149820,PC-id_45198440,EMOLS-id_20521863	426.555	PKCOZYASWUNTKN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-127928
COCCC(=O)NC(C)c1nnc2CCN(C/C=C/c3ccc(cc3)N(C)C)CCn12	PC-id_45179540,EMOLS-id_25992595	426.555	MKJJXHDMQORVQG-AATRIKPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127929
COCCC(=O)N[C@@H](c1nnc2n1CCN(CC2)C/C=Cc1ccc(cc1)N(C)C)C	CoCoCo_1185698,CoCoCo_1185696	426.555	MKJJXHDMQORVQG-OOFWQKGWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127930
COCCC(=O)N[C@H](c1nnc2n1CCN(CC2)C/C=Cc1ccc(cc1)N(C)C)C	CoCoCo_1185700,CoCoCo_1185702	426.555	MKJJXHDMQORVQG-XFHJGTJQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127931
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(N3CCCC3)cc1)CC2	CoCoCo_1302965,ZINC22_11912998,CoCoCo_1302966	426.555	PKCOZYASWUNTKN-GOSISDBHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-127932
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(N3CCCC3)cc1)CC2	ZINC22_11912997,CoCoCo_1302968,CoCoCo_1302967	426.555	PKCOZYASWUNTKN-SFHVURJKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-127933
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(C/C=C/c1ccc(N(C)C)cc1)CC2	CoCoCo_1185701,ZINC22_11790924,CoCoCo_1185703,PC-id_42171676	426.555	MKJJXHDMQORVQG-QWNKOJSDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127934
COCCC(=O)N[C@H](C)c1nnc2n1CCN(C/C=C/c1ccc(N(C)C)cc1)CC2	ZINC22_11790925,CoCoCo_1185697,CoCoCo_1185699,PC-id_42171678	426.555	MKJJXHDMQORVQG-DUMMIQTOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127935
n12CCN(CCc1nnc2C(C)NC(=O)CCOC)CC=Cc1ccc(cc1)N(C)C	PC-id_74781080,MCULE-8402115598	426.555	MKJJXHDMQORVQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127936
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(CN2CCN(CC2)CC)cc1	PC-id_55746379	426.555	WGEHTJPIKFQWSO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127937
O=c1n2CCCCCc2nn1CC(=O)NCCCCN1CCN(CC1)c1ccccc1	PC-id_55931814	426.555	MFHBGWMNXCFIFC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127938
O=c1n2CCCCCc2nn1CC(=O)NCCCN1CCN(CC1)c1cc(ccc1)C	PC-id_55624720	426.555	SDMKDZONMUROJX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127939
O=S(=O)(c1ccccc1)NCc1nnc2n1CC[N@@H+](CC2)CCCc1ccccc1	GD-id_ZINC12213361,PC-id_42468561	426.555	SLSOKEIUQXXAIS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-127940
s1c2CCCCCc2c(c1NC(=O)CSc1[nH]c2c(n1)ccc(OCC)c2)C#N	PC-id_4686731	426.555	LVDBYPNOLLPZMR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127941
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1n(c2ccccc2)c(=S)[nH]c1	PC-id_46656652	426.555	JFOYZFZBZWTYKK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-127942
CCNC(=NCCCc1nnc2n1CCCCC2)NCCC(c1ccc(cc1)OC)C	PC-id_111641232	426.598	ZCXPZJODIBKBAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128000
s1c2CCCCCCc2c(c1NC(=O)CSc1[nH]c2c(n1)ccc(OC)c2)C#N	PC-id_4104710	426.555	ZQYMWNSAHYVUCE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127943
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)ccc1C	PC-id_42464473	426.555	JCWJBFIFIDTAIE-QGZVFWFLSA-O	00000000100100110101000000000010000000000000000000000000	31-01-127944
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)ccc1C	PC-id_42464478	426.555	JCWJBFIFIDTAIE-KRWDZBQOSA-O	00000000100100110101000000000010000000000000000000000000	31-01-127945
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)ccc1C	PC-id_74805806	426.555	JCWJBFIFIDTAIE-UHFFFAOYSA-O	00000000100100110101000000000010000000000000000000000000	31-01-127946
Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)nc2n1	CoCoCo_4173303,ZINC22_13128774,PC-id_25720543	426.558	OTEITPBANDDWRJ-ZDUSSCGKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127947
Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)nc2n1	PC-id_25720542,CoCoCo_4173302,ZINC22_13128773	426.558	OTEITPBANDDWRJ-CYBMUJFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127948
N#Cc1c(NC(=O)C(Sc2nn3c(n2)nc(cc3C)C)C)sc2c1CCCCC2	EMOLS-id_11777131,PC-id_16336735,MCULE-1247787220	426.558	OTEITPBANDDWRJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127949
O=C(N1CCN(CC1)c1nc(nc(c1)C)C(C)C)NCCc1n2CCCCCc2nn1	PC-id_55589927	426.558	WLEBTAFXLJQXBG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-127950
CC1OC(C)CN(C1)C(=O)c1ccc(cc1)CNC(=O)c1cc2c(s1)CCCCC2	PC-id_102555387,MCULE-4771295295,EMOLS-id_50310997	426.572	JOLIOOOZELLFCN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127951
C[C@H]1CN(C(=O)c2ccc(CNC(=O)c3cc4c(s3)CCCCC4)cc2)C[C@H](C)O1	PC-id_99782540,ZINC22_170593802	426.572	JOLIOOOZELLFCN-IRXDYDNUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127952
C[C@H]1CN(C(=O)c2ccc(CNC(=O)c3cc4c(s3)CCCCC4)cc2)C[C@@H](C)O1	ZINC22_170593801,PC-id_99782539	426.572	JOLIOOOZELLFCN-CALCHBBNSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127953
C[C@@H]1CN(C(=O)c2ccc(CNC(=O)c3cc4c(s3)CCCCC4)cc2)C[C@@H](C)O1	ZINC22_170593803,PC-id_99782541	426.572	JOLIOOOZELLFCN-IAGOWNOFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127954
CCOc1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_112804108	426.572	KDAGGCZVBXCBTK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-127955
NC(=O)c1c(NC(=O)COc2ccc(C3CCCCC3)cc2)sc2c1CCCCC2	ZINC22_32125076,PC-id_20166090	426.572	XJKVPTZIGFEUHI-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-127956
s1c2CCCCCCc2cc1C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1	PC-id_52703265	426.572	WBBBQXKYCLALQU-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-127957
c1(NC(=O)CCC(=O)N2CCN(CC2)c2cccc(C)c2)sc2c(CCCCC2)n1	EMOLS-id_334783509,MCULE-7828833396	426.575	PMFQEXJJGXMPPW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127958
c1(NC(=O)CCC(=O)N2CCN(CC2)Cc2ccccc2)sc2c(CCCCC2)n1	MCULE-5916298543,EMOLS-id_334793501	426.575	HHQUWLIJTXTRDL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127959
c1(NC(=O)CCC(=O)Nc2ccc(cc2)N2CCCCC2)sc2c(CCCCC2)n1	EMOLS-id_335025076,MCULE-2418962757	426.575	AIISNGZZMIXHOR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127960
CC1=CC=C(N([C@H]2CN(CC[C@H]2C)S(=O)(=O)c2cccnc2)C)c2c(CC1)[nH]cc2	PC-id_143721044	426.575	MKQNGUTUYDPKTK-JPYJTQIMSA-N	00000000100010101110000000000010000000000000000000000000	31-01-127961
C=C/C=C(/C1=NC(CC(=O)OC(C)(C)C)C(=N)N(c2c1c(C)c(s2)C)C(=N)C)C=C	PC-id_144280368	426.575	LZPSPJLKTIVCFF-FWWKXUAOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-127962
O1CCC(CC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C	PC-id_42451944	426.575	MPPXIVGXXKPTKQ-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127963
O=C(C1CCOCC1)N[C@H](c1nnc2n1CC[N@H+](CC2)Cc1cc(C)c(cc1C)C)C	GD-id_ZINC12047983	426.575	ZCYJOVXTUPFCDN-IBGZPJMESA-O	00000000100010110101000000000010000000000000000000000000	31-01-127964
O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)c1cc2c(s1)CCCCCC2	ZINC22_58438531,PC-id_47088541,MCULE-9447565033,EMOLS-id_32144025	426.575	TVIVLCJZQGFVIK-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-127965
s1c2CCCCCc2cc1C(=O)NNC(=O)CCN1CCN(CC1)c1ccccc1	PC-id_7891834	426.575	IHLYEPVBGSRQIB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-127966
s1c2CCCCCc2cc1C(=O)NNC(=O)CN1CCN(CC1)Cc1ccccc1	PC-id_30863395	426.575	ZRXDCQJARNEFLX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-127967
s1c2c(CCCCC2)c(c1NC(=O)CCSc1sc(nn1)N)C(=O)OCC	PC-id_23804532	426.577	PHJNIWGSUWYSHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127968
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(nn1)N)C)C(=O)OCC	PC-id_23998272	426.577	JCFMVWPJBIVSSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127969
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1sc(nn1)N)C(=O)OC	PC-id_24001322	426.577	AMUJSDOKUWZORO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127970
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1sc(nn1)N)C)C(=O)OC	PC-id_23830387	426.577	ITMJTANCDMHCCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127971
s1c2c(CCCCCC2)c(c1NC(=O)CSc1sc(nn1)N)C(=O)OCC	PC-id_4134965	426.577	ZZJMOOFIRACKRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-127972
S(=O)(=O)(N1CCSCC1)c1cc([nH]c1)C(=O)Nc1sc2CCCCCc2n1	PC-id_56132629	426.577	VKCJUMCOPOQBIA-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-127973
Cc1c(C#N)c(NC(=O)CSc2nnc3n2CCCCC3)n(C2CCCCC2)c1C	CoCoCo_4311484,PC-id_16351045,EMOLS-id_11795975,MCULE-1036103098,ZINC22_9608824	426.578	GWLXICSTMZIACX-UHFFFAOYSA-N	00000000110010000101100000000010000000000000000000000000	31-01-127974
CCNC(=NCC(c1cc2c(s1)cccc2)O)NCCc1nnc2n1CCCCC2	PC-id_109729027	426.578	RDIDHFQSJSRYSU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127975
CN=C(NCC(c1cc2c(s1)cccc2)O)NCCCc1nnc2n1CCCCC2	PC-id_109727955	426.578	MXXYZUPBQGPMPH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-127976
N#Cc1ccc(cc1)CSc1nnc(s1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_112766961	426.578	HGWFXDNLURVWII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127977
c1(c2CCCCCc2sc1NCc1cccs1)C(=O)Nc1ccccc1OCC	CHEMBL1524312,ZINC22_2909672,PC-id_2254642,MCULE-5179482459,EMOLS-id_2176982,CoCoCo_842665	426.595	MMRREUOQJGKJOO-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-127978
c1(c2CCCCCc2sc1NCc1cccs1)C(=O)Nc1ccc(cc1)OCC	CoCoCo_2720541,CHEMBL1397772,EMOLS-id_16406288,PC-id_3601392,MCULE-4390424432	426.595	MMHRRDBCDMVRKO-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-127979
c1(c2CCCCCc2sc1NCc1sccc1C)C(=O)Nc1ccccc1OC	PC-id_4987209,EMOLS-id_16406282,CoCoCo_2720535,CHEMBL1474347,MCULE-9498634588	426.595	GYLZLGRRHSDLLZ-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-127980
CCc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCCC2)sc2c1CCCCC2	PC-id_7280562,GD-id_ZINC04554285	426.595	FAOKABHKUYGBHZ-UHFFFAOYSA-O	00000010100000110100000000000010000000000000000000000000	31-01-127981
s1c(C(=O)N2CC[NH+](CC2)CC(=O)Nc2c(cccc2C)C)cc2c1CCCCC2	PC-id_9465640	426.595	HBNJDUQPPBLMJR-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127982
s1c(C(=O)N2CC[NH+](CC2)CC(=O)Nc2c(CC)cccc2)cc2c1CCCCC2	PC-id_41236566	426.595	RDYUBJQFFCILIS-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127983
s1c(C(=O)N2CC[NH+](CC2)CC(=O)NCc2ccccc2)cc2c1CCCCCC2	PC-id_32289935	426.595	GCJBGMKLAJRZMF-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-127984
O=C(CSc1nnc2n1CCCCC2)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1	CoCoCo_3082176,PC-id_25960558,ZINC22_14141949	426.596	JZCWTBSMZCNYOL-INIZCTEOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-127985
O=C(CSc1nnc2n1CCCCC2)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC22_14141948,CoCoCo_3082177,PC-id_25960557	426.596	JZCWTBSMZCNYOL-MRXNPFEDSA-N	00000010100010000101000000000010000000000000000000000000	31-01-127986
O=C(N(C1CCS(=O)(=O)C1)C1CCCCC1)CSc1nnc2n1CCCCC2	MCULE-4450154946,EMOLS-id_13482688,PC-id_17454047	426.596	JZCWTBSMZCNYOL-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-127987
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(Cc3cc(C)cc(C)c3)CCn12	MCULE-1452792060,PC-id_45928900,EMOLS-id_232703425	426.598	QVLYQNFAAKNVNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127988
Cc1cc(C)cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)c1	ZINC22_12050876	426.598	QVLYQNFAAKNVNC-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127989
Cc1cc(C)cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)c1	ZINC22_12050879	426.598	QVLYQNFAAKNVNC-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127990
CCCCCOc1cc(C)ccc1CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_109658803	426.598	XVOPCTNJKGGHFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127991
CCCOc1cc(C)ccc1CN=C(NCC)NCCCc1nnc2n1CCCCC2	PC-id_109628201	426.598	NWGSQZGXSZKNLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127992
CCC(Oc1cc(C)ccc1CNC(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_109678515	426.598	RTYXXLBHKQXYQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127993
CCN(c1ccc(cc1)CN1CCn2c(CC1)nnc2C(NC(=O)C)CC(C)C)CC	ChEMBL-DNDi_CHEMBL30955169	426.598	TXAMTEUNZFJJSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127994
CCNC(=NCc1ccc(cc1OCCC(C)C)C)NCc1nnc2n1CCCCC2	PC-id_109626668	426.598	QNYYNFRAEIOPPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127995
CCNC(=NCc1ccc(cc1OC(CC)C)C)NCCc1nnc2n1CCCCC2	PC-id_109678863	426.598	FONSBSAZBBLSKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127996
CCNC(=NCc1ccccc1OC(C)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111690524	426.598	GVWJCVTVGVRIIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127997
CCNC(=NCC(c1ccc(cc1)C(C)(C)C)O)NCCc1nnc2n1CCCCC2	PC-id_109493252	426.598	UXVRVASJELANSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127998
CCNC(=NCCc1nnc2n1CCCCC2)NC(c1ccc(cc1)OCC(C)C)C	PC-id_109748491	426.598	RGBVYBZTJIYYPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-127999
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCCc1ccc(cc1)OC	PC-id_112087091	426.598	BTUIZBXDFYAFGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128001
CCNC(=NCCCc1nnc2n1CCCCC2)NCCCOC(c1ccccc1)C	PC-id_111403179	426.598	AMXMURSOYBMYOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128002
CCNC(=NCCCc1nnc2n1CCCCC2)N(CCOc1cc(C)cc(c1)C)C	PC-id_111419133	426.598	OJMSCQSIPBMLDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128003
CCNC(=NCC(COCc1ccccc1)C)NCCCc1nnc2n1CCCCC2	PC-id_109569229	426.598	CWFOCRAVXQYXKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128004
CN=C(NCc1ccc(cc1OCCC(C)C)C)NCCc1nnc2n1CCCCC2	PC-id_109626670	426.598	CNOWOGOIXDKTFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128005
CN=C(NC(c1ccc(cc1)OCC(C)C)C)NCCCc1nnc2n1CCCCC2	PC-id_109748085	426.598	OAFOHQJKWNZQLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128006
CN=C(NCc1ccc(cc1OC(C)(C)C)C)NCCCc1nnc2n1CCCCC2	PC-id_112087007	426.598	CROPRCVHCUDEAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128007
CN=C(NCc1nnc2n1CCCCC2)NCc1ccc(cc1OC(CC(C)C)C)C	PC-id_109743389	426.598	UNQNKGOGANBYCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128008
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cc(cc1)C)C)C)C1CC[NH+](CC1)C	PC-id_74843575	426.598	RNGREIKVEGOTFA-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-128009
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(cc1)C)C)C)C1CC[NH+](CC1)C	PC-id_42327838	426.598	RNGREIKVEGOTFA-LJQANCHMSA-P	00000000100010110101000000000010000000000000000000000000	31-01-128010
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(cc1)C)C)C)C1CC[NH+](CC1)C	PC-id_42327844	426.598	RNGREIKVEGOTFA-IBGZPJMESA-P	00000000100010110101000000000010000000000000000000000000	31-01-128011
c1(NC(=O)CCCc2ccccc2)sc2c(CCCCCCCCCC2)c1C(=O)N	TIMTEC61250,EMOLS-id_4110435,PC-id_4291363,SPECS-id_AK-968/41024241,MCULE-8800663097,CoCoCo_6790929,ZINC22_4651404	426.615	ASHKVIAICGPFCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128012
C=CC/C(=C(CCCCCC1(COc2c(OC1)csc2)Cc1ccc(cc1)N)/N)/C	SCHEMBL19053502	426.615	ALBVLAOXOAXRSP-ZBJSNUHESA-N	00000000100000110101000000000010000000000000000000000000	31-01-128013
s1c2c(CCCCCC2)c(c1NC(=O)CCSC1=NCCS1)C(=O)OCC	PC-id_23746312	426.616	ZHDRKYSSJWECKZ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-128014
c1(NC(=S)Nc2sc3c(CCCCC3)c2C#N)sc2c(CCCCC2)c1C#N	TIMTEC177944,MCULE-2860701477,STOCK1S-66607,EMOLS-id_936458,PC-id_3697166,ZINC22_9183489	426.621	GSGRQVQDPULTHN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-128015
CCNC(=NCC1(CC1)Sc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111557432	426.621	ISZJTFQAGXKWII-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-128016
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(C1)CSc1ccccc1	PC-id_111749307	426.621	RAPXYAXWHUBYMV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128017
CN=C(N1CCC(C1)CSc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111749389	426.621	NHBNILBWLLBHBJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128018
s1c2CCCCCCc2c(c1NC(=O)CSc1cc(C(C)(C)C)ccc1C)C#N	PC-id_5175933	426.638	BRAHDKPNOPKKSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128019
BrC(c1sc2c(CCCCC2)c1)c1c(cc(Br)c(c1)C)C	PC-id_64184816	428.224	UBVPOXJRBBFPHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128524
CCN1CC(CC(c2n[nH]c3c2CN(CCC3)C(C)C)C)Cc2c(C1)c(n[nH]2)C(C)C	SCHEMBL18798896	426.641	UBUDKLPIZXNXMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-128020
CC(c1ccc(c2-c(c1)c(C)cc2Sc1cc(c2-c1c(C)ccc(c2)C(C)C)C)C)C	PC-id_102492900	426.656	VFJFWYGFZYYUNS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-128021
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1C)Cl)c2)Cc1cccc(F)c1	EMOLS-id_32632916,MCULE-2373199885,PC-id_53034516	426.871	YMUSPDGSUFSZNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128022
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(c(Cl)c1)C)c2)Cc1ccc(cc1)F	PC-id_53034496,EMOLS-id_32632830,MCULE-6665804194	426.871	QHOJVARCPFZOTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128023
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(c(Cl)c1)C)c2)Cc1cccc(F)c1	EMOLS-id_32632952,PC-id_53034526,MCULE-5964857179	426.871	YQRNPHAWLSVOJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128024
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1Cl)c2)Cc1ccc(cc1)F	CoCoCo_2544569,EMOLS-id_16324690,MCULE-2692273609,PC-id_20964739	426.871	CCZFTNRIQROTAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128025
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)Cl)c2)Cc1ccc(cc1)F	PC-id_20964740,CoCoCo_2544570,EMOLS-id_16324692,MCULE-1855931653	426.871	UCWCQQAZOMPSBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128026
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1Cl)c2)Cc1cccc(F)c1	MCULE-4409009490,EMOLS-id_32632912,PC-id_53034514	426.871	MQVQEIWMXIWUBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128027
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)Cl)c2)Cc1cccc(F)c1	PC-id_53034515,EMOLS-id_32632914,MCULE-5606783366	426.871	QYEKKOLUMLHUHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128028
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1F)c2)Cc1ccc(cc1)Cl	MCULE-5578734713,PC-id_20964805,CoCoCo_2544641,EMOLS-id_16324822	426.871	JGEPIUXDTSZHSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128029
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)F)c2)Cc1ccc(cc1)Cl	PC-id_20964792,MCULE-7386433886,CoCoCo_2544626,EMOLS-id_16324796	426.871	RWJUQAQEMLMBCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128030
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(Cl)c1)c2)Cc1ccc(cc1)F	CoCoCo_2544568,EMOLS-id_16324688,MCULE-1288023432,PC-id_20964738	426.871	BZPGPUNABGVTTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128031
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(Cl)c1)c2)Cc1cccc(F)c1	PC-id_53034511,MCULE-1857870561,EMOLS-id_32632904	426.871	LOCZFPQCBNXMFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128032
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(F)c1)c2)Cc1ccc(cc1)Cl	EMOLS-id_16324852,MCULE-9336684366,CoCoCo_2544656,PC-id_20964820	426.871	CJIYFVNUSCUKAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128033
Cc1cc(Cl)ccc1NC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	PC-id_20964741,CoCoCo_2544571,EMOLS-id_16324694,MCULE-9826815040	426.871	KRHJIZGEJQCIHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128034
Cc1c(Cl)cccc1C(=O)N1CCCn2ncc(C(=O)Nc3cccc(F)c3)c2C1	ZINC22_2055747806,EMOLS-id_313762762	426.871	WKMTVEDLGYMCDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128035
Clc1c(c(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccc(F)cc2)ccc1)C	PC-id_20964748,CoCoCo_2544579	426.871	JAKMPRWVCNKLFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128036
Clc1cc(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccc(F)cc2)c(cc1)C	PC-id_50797923	426.871	GKSCGASXQKOFTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128037
CCNC(=NCc1cc(Cl)ccc1OC(F)F)NCc1nnc2n1CCCCC2	PC-id_111709317	426.891	CUONTHKHVHTNRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128038
CN=C(NCc1cc(Cl)ccc1OC(F)F)NCCc1nnc2n1CCCCC2	PC-id_111708787	426.891	LTPZJUYXIREZQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128039
Clc1c(COc2ccc(NC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)cccc1	PC-id_55948085	426.896	VLEHQWMCHHIZTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128040
c1(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)sc2c(CCCCC2)c1C#N	PC-id_1753992,ZINC22_2097895,EMOLS-id_2217007,CoCoCo_938780,MCULE-9677214877	426.916	JVAMOARCMIRHPO-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-128041
Cc1ccc(cn1)C(=O)N1CCc2nc(sc2CC1)C(=O)Nc1ccc(Cl)cc1	ZINC22_2055785161,EMOLS-id_313790780	426.919	PZQCOMCWTPNCPM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-128042
Clc1c(C(=O)Nc2sc3CCCCCc3n2)cc(C2=C(C)C(=O)N=NC2=C)cc1	PC-id_74894264	426.919	GBYAOWJIXQAZQE-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-128043
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)N	ZINC22_8601647,CoCoCo_5137947,PC-id_16032624,ChEMBL-DNDi_CHEMBLF2536-0412,CHEMBL1396994,EMOLS-id_22735450,MCULE-6384855502	426.937	HSRARMBRZVSSOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128044
Clc1c(cc(S(=O)(=O)C)cc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_78785382	426.937	GPKHTTBQIJCGLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128045
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc(S(=O)(=O)C)cc1	PC-id_55334163	426.937	CHAIQXDDPVRWFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128046
Clc1c(S(=O)(=O)C)cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_60388213	426.937	MIOGZFQFFUJKGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128047
c12C(=O)N(CCCn1nc(C(=O)NCCC1=CCCCC1)c2)Cc1ccc(cc1)Cl	PC-id_50797872,MCULE-7530175265,EMOLS-id_32846292	426.939	AICJEZRFLOOFFC-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-128048
CC1CC(=Cc2c(C1)[nH]c(=O)[nH]2)C(=O)NCCN1CCC(=CC1)c1ccc(cc1)Cl	PC-id_143375393	426.939	FXZAWFHPAXZBMC-UHFFFAOYSA-N	00000000100011110111100000000010000000000000000000000000	31-01-128049
COc1cc(Cl)c(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1OC	EMOLS-id_20458145,ZINC22_20206822,PC-id_28735879,CoCoCo_1211609,MCULE-7212045556,CoCoCo_1211610	426.939	XOSJRYKRLLRBIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128050
Cc1c(cc(cc1)Cl)N1CCN(CC1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135779727	426.942	WKNPBDZIXNXPTG-ZZEZOPTASA-N	00000000100010110101100000000010000000000000000000000000	31-01-128051
Clc1cccc(c2cnc(CN3CCN(Cc4nnc5n4CCCCC5)CC3)o2)c1	PC-id_45891606,CoCoCo_4896627,MCULE-5067181041,ZINC22_40105784,CoCoCo_4896626,EMOLS-id_29617715	426.942	LZKDGHIOGMVZHJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128052
Clc1cccc(c2nc(CN3CCN(Cc4nnc5n4CCCCC5)CC3)co2)c1	MCULE-1768392685,ZINC22_40105785,PC-id_45891607,EMOLS-id_44112843	426.942	QFTYEJCXXBQVPZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128053
Clc1ccc(n2nc(c(CC(=O)NCCc3n4CCCCCc4nn3)c2C)C)cc1	PC-id_60496570	426.942	PIBOFPAVPFJHMN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128054
Clc1cc(N2CCN(CC2)CC(=O)C(=C2N3CCCCCC3=NN2)C#N)c(cc1)C	PC-id_78700652	426.942	QIWHGISEXMMLGA-UHFFFAOYSA-N	00000011000010110111100000000010000000000000000000000000	31-01-128055
Clc1cc(N2CCN(CC2)CC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)c(cc1)C	PC-id_8449706	426.942	QIWHGISEXMMLGA-RELWKKBWSA-N	00000011000010110111100000000010000000000000000000000000	31-01-128056
Clc1cc(F)c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_20412310	426.956	UFQLADIOQGWRRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128057
Clc1cc(F)c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_20412304	426.956	XKVDWQLHELBTTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128058
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1F	PC-id_20412235	426.956	QFOUEKFKQJARMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128059
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1F	PC-id_20412228	426.956	ZVDFOLZRASDILI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128060
Cc1ccc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1Cl	PC-id_41000834,CoCoCo_3081383,ZINC22_9283489	426.962	OXUDHPYPJCMYRZ-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128061
Cc1ccc(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1Cl	ZINC22_9283490,CoCoCo_3081384,PC-id_41000835	426.962	OXUDHPYPJCMYRZ-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128062
Cc1cc(NC(=O)c2ccc(CSc3nnc4n3CCCCC4)cc2)ccc1Cl	ZINC22_12568100,MCULE-9972644193,PC-id_16312231,CoCoCo_3081609,EMOLS-id_11740345	426.962	NTZFVDKFNRLGIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128063
Clc1cc(c2sc(/C=C/C(=O)NCCc3n4CCCCCc4nn3)cc2)ccc1	PC-id_55639057	426.962	BPWJYLUEOGMPHJ-PKNBQFBNSA-N	00000000100100110101100000000010000000000000000000000000	31-01-128064
Clc1cc(c2sc(C=CC(=O)NCCc3n4CCCCCc4nn3)cc2)ccc1	PC-id_76257373	426.962	BPWJYLUEOGMPHJ-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-128065
Clc1ccc(C(NC(=O)CSc2n3CCCCCc3nn2)c2ccccc2)cc1	PC-id_24454091	426.962	JLLDAFBJLAHMRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128066
Clc1cc(NC(=O)C(Sc2n3CCCCCc3nn2)c2ccccc2)ccc1C	EMOLS-id_3468772,PC-id_4855825,MCULE-1977574963	426.962	OXUDHPYPJCMYRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128067
COC1=CC=c2c(=CC1)n(CCCN1CCC(CC1)Oc1ccccc1Cl)cc2C	PC-id_143502754	426.979	VYRNASDTISCZQL-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-128068
CCC1=CCN(C(=O)c2c1[nH]cc2C)CCCN1CCN(CC1)c1ccc(cc1)Cl	PC-id_70110337,SCHEMBL7497819	426.982	SGBHWJHIVMQRDM-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-128069
CCn1cc(c2c1C=CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)Cl)C	SCHEMBL6774838,PC-id_22737894	426.982	WSQZIEQYFBTFBU-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-128070
Clc1cn(nc1)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_20174688	426.984	YECZNLYDUQAYGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-128071
Clc1cn(nc1)CCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_20176998	426.984	XBQODODPYNDKQO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-128072
Clc1cn(nc1)CCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_20176991	426.984	GJQZJIPJADKWMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-128073
NCC1CCC(CC1)CN(Cc1cc2c(s1)C=CCC=C2)Cc1ccc(cc1)Cl	PC-id_142934430	427.045	KTPIXTNGAAWPLU-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-128074
C1CNC(=O)c2c(/C/1=N/OCc1ccccc1)c(c([nH]2)Br)Br	PC-id_136217484	427.091	JCOOPZOHGNYNPK-KEBDBYFISA-N	00000000100000110100000000000010000000000000000000000000	31-01-128075
CC1=C(NC2=C1C(CN(C=C2C(=O)OC(C)C)C(=O)C3=CC(=C(C=C3)F)F)(C)C)C#N	PC-id_163798383	427.171	NCUVNDOWABALOG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-128076
CC(C)C(C(=O)CC1CC2=C(CNC(=O)C1=O)ON=C2)NC(=O)OCC3=CC=CC=C3	PC-id_160481115	427.174	QPHUNNDLQBGYPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128077
CC(C)C(C(=O)CC1CC2=NC=C(O2)CNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_152792519	427.174	SIDYKUXFIRSPER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128078
CC(C)C(C(=O)CC1CN2C(=NC=N2)CNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_148531869	427.186	MQLHKERFWNVXNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128079
CC(C)C(C(=O)CC1CN2C=NN=C2CNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_152795460	427.186	SLMRARPTFYGQET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128080
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC(=CC(=C3)C)C	PC-id_155203763	427.247	HEQGOQOTNIBCRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128081
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)C	PC-id_155171377	427.247	VDIQFHOJKFQOKR-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128082
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=CC=C3C	PC-id_155171383	427.247	IPWYHPIFZZGSNN-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128083
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=CC(=C3)C	PC-id_155171390	427.247	FMESBNYWPWBEHO-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128084
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(F)c(F)c(F)c(F)c1F	PC-id_19523658	427.292	SWBUSCABWRFSJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128085
COP(=O)(Cc1ccc2-c(cc1)c(c(c2OC(=O)O)NC(=O)C)OC(=O)O)OC	SCHEMBL8336556	427.299	GTEJCSQDRKXROO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-128086
O=C1C=CC(=C(c2cc(c3-c2ccccc3)Cl)c2cc(c3-c2ccccc3)Cl)C=C1	PC-id_102277039	427.321	NTIIFGDFCPBTCF-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-128087
Clc1cccc(c1)CNc1nc2=CCC(=CC=c2n1C)N(c1ccnc(n1)Cl)C	PC-id_142803417	427.33	CTZQXGBSZKJQNJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128088
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)Cc1ccc(Cl)cc1	PC-id_27115462	427.33	GPWJMNPZGVFHTJ-LFIBNONCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128089
Clc1n(nc(c1C=C(c1n2CCCCCc2nn1)C#N)C)Cc1ccc(Cl)cc1	PC-id_74519853	427.33	GPWJMNPZGVFHTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128090
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)Cc1c(Cl)cccc1	PC-id_27115456	427.33	DAOBWAZAYIKUOT-LFIBNONCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128091
Clc1n(nc(c1C=C(c1n2CCCCCc2nn1)C#N)C)Cc1c(Cl)cccc1	PC-id_74519851	427.33	DAOBWAZAYIKUOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128092
OCCNC(=O)c1c(/C=C/c2ccc(cc2)CC)[nH]c2=CC(=CCC=c12)Br	PC-id_145305090	427.334	GIUIREDFKBOUGQ-ZHACJKMWSA-N	00000000100000110110000000000010000000000000000000000000	31-01-128093
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)N	PC-id_2862422,MCULE-7906360609,EMOLS-id_1088119,TIMTEC486848	427.345	USRYYCHCLHNSLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128094
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)N	MCULE-2284866233,ChEMBL-DNDi_CHEMBL6129531,PC-id_2164405,TIMTEC348756,ZINC22_2742177,SPECS-id_AK-968/12162141,EMOLS-id_1091234,CoCoCo_743077	427.345	OATIFXMNGKOLLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128095
c1(NC(=O)Nc2ccc(c(Cl)c2)Cl)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC313838,ZINC22_2749018,PC-id_3110179,BAS-00512773,CoCoCo_85833,EMOLS-id_1235092,MCULE-7737136750	427.345	MNSIZWSAOHAFFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128096
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	CoCoCo_682836,ZINC22_2081870,PC-id_1220347	427.345	USRYYCHCLHNSLS-SNVBAGLBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128097
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_995357,CoCoCo_682837,PC-id_1741139	427.345	USRYYCHCLHNSLS-JTQLQIEISA-N	00000000100000110100000000000010000000000000000000000000	31-01-128098
Clc1cc(NC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1Cl	PC-id_4223997	427.345	SIWFFMSSUSYBCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128099
Clc1c(OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)ccc(Cl)c1	PC-id_42388418	427.345	YKNZZOACBBNVIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128100
C1Cn2cc(nc2OCCN1CC(=O)NCCc1cc(ccc1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14966331,PC-id_89580572	427.378	JGBNBZHOLIBTIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128101
FC(F)(F)CN(C(=O)Cn1nc2n(CCCCC2)c1=O)Cc1c([N+](=O)[O-])cccc1	PC-id_55762525	427.378	MYDMJZMZKSODKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128102
C1Cn2cc(nc2OCCN1Cc1cnc(cc1)c1cc(c(cc1)C(=O)O)F)[N+](=O)[O-]	SCHEMBL14965805,PC-id_89580185	427.386	PBDCWHSGULUXBC-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-128103
CC(C)C(=O)NC(Nc1sc2c(c1C#N)CCCCC2)(C(F)(F)F)C(F)(F)F	TIMTEC552684,CoCoCo_1954411,EMOLS-id_4415404,ZINC22_3671510,MCULE-2660000138,STOCK1S-90859,PC-id_4556517	427.408	XOHULKBIWJOYGX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-128104
COc1ccc(cc1OCC(F)(F)F)NC(=O)NCCc1nnc2n1CCCCC2	PC-id_112825741	427.421	OAOTWAXMSANQLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128105
OC([C@@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)C1CC1	SCHEMBL18352798	427.422	LTMRGFZLAMSZTF-KNVGNIICSA-N	00100000100000110101000000000010000000000000000000000000	31-01-128106
OC([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)C1CC1	SCHEMBL18352930	427.422	LTMRGFZLAMSZTF-JBZHPUCOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-128107
CC(CN1C(=O)C(CCn2c1cc(n2)C)NC(=O)c1ncn(n1)CCC(F)(F)F)C	SCHEMBL19658911	427.424	PXRNOWIVNQTLJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-128108
Fc1c(NC(=O)c2c(occ2)C)cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55715898	427.429	AUGHMVFXLIKMAC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-128109
CC(C)n1c(c2CCN(CCc2n1)C(=O)OC(C)(C)C)OS(=O)(=O)C(F)(F)F	PC-id_86598380,SCHEMBL2076409	427.439	AATUNNBPRDZSKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-128110
c1(NC(=O)CCC(=O)Nc2cccc(c2)OC(F)(F)F)sc2c(CCCCC2)n1	EMOLS-id_335036852,MCULE-2117338863	427.441	RKZCWSSLLDPIJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128111
c1(NC(=O)CCC(=O)Nc2ccc(cc2)OC(F)(F)F)sc2c(CCCCC2)n1	EMOLS-id_335050423,MCULE-9510806950	427.441	UISSKICRXOGTDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128112
CC(C1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)C	SCHEMBL18353380	427.441	OZEAIYAWEUFYNI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128113
OC(C1CC1)C1COc2c(SN1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C	PC-id_139471278,SCHEMBL21337277	427.441	FXONLTAPSWNXJY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-128114
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cn1c(=O)c(ccc1)C(F)(F)F	PC-id_32811798	427.441	BBGRDZDHVFDAIY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-128115
C1CN(CCc2c1nc(o2)C(=O)NCCOc1ccccc1)Cc1c(ccc(c1)F)F	PC-id_134805892	427.444	BAPYHFQUEHWLGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128116
C1CN(CCc2c1nc(o2)C(=O)NCCOc1ccccc1)Cc1c(cccc1F)F	PC-id_134806925	427.444	HRVKYJQJCTXULK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128117
COc1cc(ccc1F)CN1CCn2c(CC1)nnc2CNC(=O)c1cccc(c1)F	CoCoCo_1135462,PC-id_30853576,ChEMBL-DNDi_CHEMBL12006704,CoCoCo_1135461	427.447	ATHNZHYRFMXYCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128118
COc1ccc(CN2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)cc1	CoCoCo_1233844,EMOLS-id_20473755,ZINC22_20451475,MCULE-5465714156,PC-id_28954956,CoCoCo_1233845	427.447	WASWVGQVHMDEHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128119
COc1ccc(F)c(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)c1	ZINC22_20452450,MCULE-1760290688,EMOLS-id_20476515,CoCoCo_1237677,CoCoCo_1237676,ChEMBL-DNDi_CHEMBL23428875,PC-id_28955647	427.447	CZTKDXOWGMOFMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128120
Fc1ccc(c(c1)C(=O)NC(c1nnc2n1CCN(CC2)Cc1ccccc1O)C)F	PC-id_45166097,ChEMBL-DNDi_CHEMBL21458612	427.447	OWTXFOCBTCBOEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128121
Fc1ccc(CNC(=O)CC2CCc3nn(Cc4cccnc4)c(=O)n3CC2)c(F)c1	MCULE-6174776549,EMOLS-id_207877245	427.447	VKOQMWWJACXWIT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-128122
Fc1cc(F)cc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)c1	CoCoCo_1174400,EMOLS-id_20431309,ZINC22_19836834,PC-id_28390257,MCULE-1912007659,CoCoCo_1174401	427.447	WNABBSKKGWBREQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128123
Fc1c(CN2CCn3c(nnc3CNC(=O)c3c(OC)cccc3)CC2)c(F)ccc1	PC-id_28738047	427.447	FWTBEQXINUIZHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128124
Fc1c(C(=O)N[C@@H](c2n3CCN(CCc3nn2)Cc2c(O)cccc2)C)cc(F)cc1	PC-id_42163090	427.447	OWTXFOCBTCBOEY-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128125
Fc1c(C(=O)N[C@H](c2n3CCN(CCc3nn2)Cc2c(O)cccc2)C)cc(F)cc1	PC-id_42163092	427.447	OWTXFOCBTCBOEY-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128126
c12c(O)c(ccc(=O)c1c(oc2C)C)N=Nc1ccc(c(c1)NC(=O)c1ccccc1)C	MCULE-3849805129,PC-id_135635253	427.452	NOXUKCWVLPYIEI-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-128127
Cc1ccc(/N=N/c2ccc(=O)c3c(C)oc(C)c3c2O)cc1NC(=O)c1ccccc1	EMOLS-id_49398653,ZINC22_98086994	427.452	NOXUKCWVLPYIEI-BYYHNAKLSA-N	00000000100000110110000000000010000000000000000000000000	31-01-128128
o1c(c2c(c1C)C(=O)C=CC(=NNc1cc(NC(=O)c3ccccc3)c(cc1)C)C2=O)C	PC-id_73254758	427.452	QZRCYPLOGUHDCL-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-128129
n12CCN(CCc1nnc2CNC(=O)C1CCOC1)C(=O)Cc1ccc2c(OCO2)c1	MCULE-7911994174,EMOLS-id_20504949,ChEMBL-DNDi_CHEMBL28822764,PC-id_45194662	427.454	LQOQHDAOLYTZNZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128130
O=C(NCc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2)[C@@H]1CCOC1	CoCoCo_1278457,PC-id_42272651,ZINC22_11908881	427.454	LQOQHDAOLYTZNZ-OAHLLOKOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128131
O=C(NCc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2)[C@H]1CCOC1	ZINC22_11908882,PC-id_42272652,CoCoCo_1278458	427.454	LQOQHDAOLYTZNZ-HNNXBMFYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128132
O=C(NC(C(=O)NC1Cc2nccn2CNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109322,PC-id_138730171	427.454	CMYFTWGSMRSQDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128133
O=C(NC(C(=O)NC1Cc2nc[nH]c2CNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109083,PC-id_138729935	427.454	XRFNRJZASSAHHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128134
O=C(NC(C(=O)NC1Cn2ccnc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138729977,SCHEMBL21109126	427.454	XTPPHTSWKJVSTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128135
CCOC(=O)c1c2NCC(CC(n2nc1)C(F)(F)F)/C=C/CC=C/C(=CC)/COC	PC-id_137203740,SCHEMBL18867628	427.461	OLKGGERFBYWTSX-LLCVSJESSA-N	00000000100000000101000000000010000000000000000000000000	31-01-128136
[2H]COC1(O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1cc(ccc1O)Cc1cc2-c(c1)ccccc2	PC-id_141604010	427.465	SBWGSCCDYLYLLU-GLXKWYTISA-N	00000010100010110110100000000010000000000000000000000000	31-01-128137
C1(CNC(=O)CCNC(=O)c2cc3n(n2)CCCN(Cc2ccc(cc2)F)C3=O)CC1	EMOLS-id_25387912,MCULE-6217809597,PC-id_46049550	427.472	QKXPACPWTBLDHL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-128138
C1N(CCC1)C(=O)CCNC(=O)c1cc2n(n1)CCCN(Cc1ccc(cc1)F)C2=O	PC-id_46049552,EMOLS-id_25387150,MCULE-8600172996	427.472	GROXLFCZTCQZOL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128139
COCc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)o1	CoCoCo_1194100,CoCoCo_1194101,PC-id_26275558,MCULE-5992880360,EMOLS-id_20445637,ZINC22_14879634	427.472	LSMCTGPHLNNRTM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-128140
COCc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1	MCULE-4262392646,ZINC22_14993917,EMOLS-id_20581661,CoCoCo_1390946,CoCoCo_1390945,PC-id_26349219	427.472	CLKDOXLVJILJRA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-128141
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCCN2CCCC2=O)cc1	PC-id_50797908	427.472	YPKLJEQAGVPQSG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128142
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)N2CCCC2)C)cc1	PC-id_46049511	427.472	HQTHDNDSHXUORI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128143
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)N2CCCC2)C)cc1	PC-id_46049524	427.472	GZWJFGXPJBZJBG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128144
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCC2CC2)C)cc1	PC-id_42854939	427.472	GZTUHIIJDNXBKZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-128145
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NCC2CC2)C)cc1	PC-id_46049522	427.472	HVAZCQNXZDUEAZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-128146
n12CCN(CCc1nnc2CCNC(=O)Cc1ccc(cc1)F)Cc1ccc(CO)o1	ZINC22_20599353,EMOLS-id_232724372,MCULE-4391709626,PC-id_29085942	427.472	XEMXMHYSBRHACG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-128147
O=C(OC(C)(C)C)NCc1ccc(cc1F)C(=O)N1Cc2cnn(c2NC(=C)C1=C)C	PC-id_143188926	427.472	UMRCNAYUSNTKAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128148
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc2[nH]cnc2cc1)C(=O)OC	PC-id_24054885	427.474	ZZMRNKMEKPQVPF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128149
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(c([N+](=O)[O-])cc1)C)C)C#N	PC-id_55417421	427.474	FAUXLSMPTLURSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128150
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1n[nH]c2c1cccc2)C(=O)OC	PC-id_5253321	427.474	FEABMVRVWYAVMU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128151
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cc1c([N+](=O)[O-])cccc1)C)C#N	PC-id_55416966	427.474	IDXCXYIWNLTECW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128152
s1c2CCCCCCc2cc1C(=O)OC(c1oc(nn1)c1ccc([N+](=O)[O-])cc1)C	PC-id_46825096	427.474	HFQUUZQKZBLPDO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128153
Cc1cc(c2noc([C@H](C)NC(=O)N[C@@H](C)c3nnc4n3CCCCC4)n2)ccc1F	ZINC22_472209491	427.475	UTDPXOUYGQHNQN-KBPBESRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128154
Cc1cc(c2noc([C@H](C)NC(=O)N[C@H](C)c3nnc4n3CCCCC4)n2)ccc1F	ZINC22_472209492	427.475	UTDPXOUYGQHNQN-KGLIPLIRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128155
Cc1cc(c2noc([C@@H](C)NC(=O)N[C@@H](C)c3nnc4n3CCCCC4)n2)ccc1F	ZINC22_472209493	427.475	UTDPXOUYGQHNQN-UONOGXRCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128156
Cc1cc(c2noc([C@@H](C)NC(=O)N[C@H](C)c3nnc4n3CCCCC4)n2)ccc1F	ZINC22_472209494	427.475	UTDPXOUYGQHNQN-ZIAGYGMSSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128157
CSc1nc2c(s1)C=CC(C=C2)[P+](Oc1ccccc1)(Oc1ccccc1)[O-]	PC-id_122228249	427.476	GGNQVTACRSMLMH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128158
CSc1nc2c(s1)C(C=CC=C2)[P+](Oc1ccccc1)(Oc1ccccc1)[O-]	PC-id_122228250	427.476	VYWIIGJMLSMSEG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128159
CSc1sc2c(n1)C(C=CC=C2)[P+](Oc1ccccc1)(Oc1ccccc1)[O-]	PC-id_101573808	427.476	KORJLSYLLWWTGP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128160
c1(cccn(CC(=O)Nc2sc3c(CCCCC3)n2)c1=O)C(=O)Nc1cc(on1)C	MCULE-7591817895,EMOLS-id_134313,BDB-26402078,PC-id_92635127,ZINC22_19749939	427.477	JGEBXINULSERRL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-128161
Cn1c(cc(n1)c1c(ccc(c1)OC)OC)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625465	427.477	NDMFHZDZUXVNHM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128162
O=C(CCn1ncc2c1cc(cc2)[N+](=O)[O-])NNC(=O)c1cc2c(s1)CCCCC2	MCULE-5558195211,PC-id_47048022,EMOLS-id_44130292	427.477	WSOOXELQSTTYKI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128163
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)/C=CCCN1C(=O)c2c(C1=O)cccc2	PC-id_139755190	427.492	CGXNMUFUEOMMFF-VURMDHGXSA-N	00000010100000100110000000001010000000000000000000000000	31-01-128164
OCC([C@@H]1c2ccsc2CCN([C@@H]1C(=O)O)S(=O)(=O)c1ccc(cc1)OC)O	PC-id_139966452	427.492	WKESNNPWWDOFNM-HGVHAKBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128165
O=C(NNC(=O)c1cc2c(s1)CCCCC2)CCc1ncc(o1)c1ccccc1F	EMOLS-id_17157021,CoCoCo_4518820,MCULE-3161812840,PC-id_41512765	427.492	CYOJGZNSQADXKH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128166
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1oc(c2ccc(F)cc2)cn1	PC-id_43039912	427.492	GVHAUKLHDNOLPU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128167
S(=O)(=O)(N1C(C(c2c(scc2)CC1)C(O)CO)C(=O)O)c1ccc(OC)cc1	PC-id_54435135	427.492	WKESNNPWWDOFNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128168
S(=O)(=O)(N1[C@H]([C@H](c2c(scc2)CC1)C(O)CO)C(=O)O)c1ccc(OC)cc1	PC-id_57056626	427.492	WKESNNPWWDOFNM-VNCLPFQGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128169
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1nnn(c1C)c1ccc(F)cc1	PC-id_60433357	427.495	SAKVDFYREXGPMX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128170
c1(C(CC(C)C)NC(=O)C)nnc2CCN(CCn12)C(=O)c1ccccc1C(=O)OC	EMOLS-id_20406944,MCULE-3252446010,PC-id_45171985,ChEMBL-DNDi_CHEMBL12574400	427.497	SGZYHVYNSATIDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128171
c1(noc(CN(C)Cc2c3CCCCCc3[nH]n2)n1)c1ccc(c(OC)c1OC)OC	CoCoCo_1269032,EMOLS-id_20498473,CoCoCo_1269034,PC-id_29087418,MCULE-2929072558,ZINC22_20600419,CoCoCo_1269035,CoCoCo_1269033	427.497	YCXPSEXVCAQEET-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128172
CC(CCCCn1cnc2c1NC=NCC2O)(C(=O)O)C(=O)NCCc1ccccc1	BindingDB_PC-id_10646136,PC-id_10646136,CHEMBL287822	427.497	RBWOXWHYYOMFDY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128173
CC(Oc1ccc(cc1)C(=O)N1CCc2n(CC1)c(nn2)CNC(=O)C1COCC1)C	ChEMBL-DNDi_CHEMBL30343066	427.497	GSVJZALRAYSWTK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128174
COCCNC(=O)CCNC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	EMOLS-id_25388208,MCULE-1771936019,PC-id_46050032	427.497	CIXNBLTVZHFJAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128175
COC(=O)c1ccccc1C(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)C)n2CC1	CoCoCo_1141009,PC-id_42381049,ZINC22_12054649	427.497	SGZYHVYNSATIDO-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128176
COC(=O)c1ccccc1C(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)C)n2CC1	PC-id_42381046,CoCoCo_1141010,ZINC22_12054646	427.497	SGZYHVYNSATIDO-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128177
OC1CCN(CCCN2CCN(CC2)c2ccc([N+](=O)[O-])cc2)C(=O)c2c1n(cc2)C	PC-id_10836232,SCHEMBL6780617	427.497	XOGGEBIVZRQOPE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128178
O=c1n2CCCCCc2nn1CC(=O)N1CCCN(CC1)C(=O)c1c(OC)cccc1	PC-id_56032215	427.497	BNCRWHIOQXAHSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128179
O=c1n2CCCCCc2nn1CC(=O)N1CCN(CC1)C(=O)c1cc(OC)c(cc1)C	PC-id_55808050	427.497	CWRBMPCDFLFRDI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128180
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCCOC)Cc1ccc(cc1)C	PC-id_46049986	427.497	LOTBSUMYTOQXRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128181
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCCOC)Cc1c(cccc1)C	PC-id_46050067	427.497	SQKLGLZTVPTLJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128182
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCOC)C)Cc1cc(ccc1)C	PC-id_46049995	427.497	ZMNQVAIHUDTLMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128183
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCOC)C)Cc1cc(ccc1)C	PC-id_46050007	427.497	XTIUIZWDLVYSJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128184
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCOC)C)Cc1c(cccc1)C	PC-id_46050045	427.497	OWOOEGUKACYMKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128185
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCOC)C)Cc1ccc(cc1)C	PC-id_46159973	427.497	RTONIJKRJWGGPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128186
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCOC)C)Cc1ccc(cc1)C	PC-id_46159979	427.497	BXGCFVBMFDFCBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128187
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCOC)C)Cc1c(cccc1)C	PC-id_46159990	427.497	ZCCBRCPQFVSJDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128188
O=C(N1CCC(CC1)C(=O)Nc1c(OC)cccc1)Cn1nc2n(CCCCC2)c1=O	PC-id_55653473	427.497	QUOOXCSCWRUTJP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128189
O=C(N1CCN(CC1)C(=O)Cc1cc(OC)ccc1)Cn1nc2n(CCCCC2)c1=O	PC-id_56128730	427.497	HRQFFFBJEKSJSV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128190
O=C(NC1CC1)COc1ccc(CCNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55893447	427.497	FOXXESGCXUCRPX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-128191
C1CC1CN1CCNc2c(C1=O)n(c(n2)COc1ccc(cc1)C#N)Cc1ccccc1	PC-id_134808982	427.498	VWEURLCIUUWELE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-128192
CC/C=C(/C1=C(O)n2nc(cc2N=CC1)Nc1ccc(cc1)Oc1ccncc1)C=C/C	PC-id_143056954	427.498	RBYLVGLTHSZNRT-HXHGMITMSA-N	00000000100000111111000000000010000000000000000000000000	31-01-128193
Cc1noc(C)c1Cn1nc2CCC(CCn2c1=O)C(=O)NCc1c(C)nn(C)c1C	MCULE-2071202370,EMOLS-id_207876800	427.5	DJYRSSWPJMQGOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-128194
CN(Cc1cn(C)nc1C)C(=O)C1CCc2nn(Cc3c(C)noc3C)c(=O)n2CC1	MCULE-1288132934,EMOLS-id_207876812	427.5	DOPOVANDHMOBCY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-128195
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc([N+](=O)[O-])c(N(C)C)cc1	PC-id_46691990	427.5	ANNPDVFHUHLMOO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128196
s1c2c(CCCCC2)c(c1NC(=O)C([N+]1=CN=C2N(C(=O)N(C(=O)C12)C)C)C)C#N	PC-id_73249842	427.5	AAUUJGDWDDMCIP-UHFFFAOYSA-O	00000011100010000101000000000110000000000000000000000000	31-01-128197
O=C(NCc1n2CCCCCc2nn1)c1c(nn(c1)Cc1ccccc1)c1cccnc1	PC-id_24676683	427.502	XXVRMWWQYVOVLT-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-128198
CC(C)Cc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(F)c1	BindingDB-id_731706,SCHEMBL17777772,PC-id_121358714	427.512	DUUHKXJAHRYDTN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128199
CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(F)c1	PC-id_121358841,BindingDB-id_731714,SCHEMBL17777910	427.512	GCQUANVAKIFVQW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128200
C=CC/C(=C(C/C=C(/COC1=C(F)Cc2c(C=C1)[nH]c(c2)C)CN=CN=C)/OC)/OC	PC-id_144689060	427.512	QMPYHVOYFPGWJA-YMXUGVPLSA-N	00000000100000000110000000000010000000000000000000000000	31-01-128201
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)O	PC-id_11796747,SCHEMBL6773774	427.512	ZRAXGYRZZBTPNT-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-128202
Fc1ccc(cc1)OC1CCN(CC1)CCCCn1ccc2c1C(=O)CCN(C2=O)C	SCHEMBL6995637,PC-id_22011271	427.512	PHKWLNCQCSBTFZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-128203
c1(NC(=O)C=Cc2ccc3c(OCO3)c2)sc2c(CCCCC2)c1C(=O)OCCC	MCULE-8799948357,PC-id_4595290	427.513	SYPVEOZFXDIRHN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128204
CCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1ccccc2	PC-id_10025551,CHEMBL167924	427.513	IKZMBXISBNQTRV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-128205
CC(C)c1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1ccccc2	PC-id_10251927,CHEMBL167289	427.513	OZVBLKWGJIVCIW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-128206
CCCOC(=O)c1c(NC(=O)/C=Cc2ccc3c(c2)OCO3)sc2c1CCCCC2	CoCoCo_6810326	427.513	SYPVEOZFXDIRHN-LUAWRHEFSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128207
CCCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCCC2	EMOLS-id_46454206,ZINC22_2082377,PC-id_1741551,TIMTEC463327,CoCoCo_6810325	427.513	SYPVEOZFXDIRHN-PKNBQFBNSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128208
CCOC(=O)COc1ccc(cc1)CCNS(=O)(=O)c1cc(c2-c1ccccc2)C	PC-id_15114412,SCHEMBL10339928	427.513	PZOUQWBFBFIKJZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-128209
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1)cccc2OCC)C(=O)OCC	PC-id_40888798	427.513	XPGSXCDBTVMFBC-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-128210
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1cc2OCOc2cc1)C(=O)OC(C)C	PC-id_3320149	427.513	HYOYCIJJPMONFK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128211
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1cc2OCOc2cc1)C(=O)OC(C)C	PC-id_5792320	427.513	HYOYCIJJPMONFK-PKNBQFBNSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128212
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1cc2OCOc2cc1)C(=O)OCC	PC-id_4415504	427.513	JHAMXHMKXLDDOH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128213
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1cc2OCOc2cc1)C(=O)OCC	PC-id_6104310	427.513	JHAMXHMKXLDDOH-ZRDIBKRKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128214
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(c1)CC)ccccc2	PC-id_10320327	427.513	VCKSGJPBUASPFD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-128215
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCCCC1)c2)Cc1ccc(cc1)F	MCULE-2063912837,PC-id_50744422,EMOLS-id_32788456	427.515	XHVDIPJHXYKDIP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128216
c1(CN(C)C(=O)CC2C(=O)NCCN2Cc2cccc(F)c2)c2CCCCCc2[nH]n1	EMOLS-id_20590783,PC-id_45214364,MCULE-9240675055	427.515	AQSXXUYZZOYBFJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128217
CN(Cc1n[nH]c2c1CCCCC2)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1	CoCoCo_1404521,CoCoCo_1404523,ZINC22_67834292,CoCoCo_1404527,CoCoCo_1404525	427.515	AQSXXUYZZOYBFJ-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128218
CN(Cc1n[nH]c2c1CCCCC2)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1	CoCoCo_1404526,CoCoCo_1404528,ZINC22_67834291,CoCoCo_1404524,CoCoCo_1404522	427.515	AQSXXUYZZOYBFJ-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128219
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCCN1CCCCCC1	PC-id_20964761,CoCoCo_2544592	427.515	YTMJTWLQIZTGLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128220
Fc1cc(CN2CCCn3nc(cc3C2=O)C(=O)NCCCN2CCCCC2)ccc1	PC-id_53034543	427.515	ACMIVJOXBIXQQX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128221
Fc1ccc(N2CCN(CC2)CCCCn2c3c(cc2)/C(=N/O)/CCN(C3=O)C)cc1	PC-id_44212568	427.515	FZBIBHDKCFLWHK-NJNXFGOHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128222
Fc1ccc(N2CCN(CC2)CCCCn2c3c(cc2)C(=NO)CCN(C3=O)C)cc1	PC-id_74953031	427.515	FZBIBHDKCFLWHK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128223
Fc1ccc(N2CCN(CC2)CCCCn2c3c(C(N=O)CCN(C3=O)C)cc2)cc1	PC-id_54563944	427.515	ZSNHQVVSKBBCTR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128224
Fc1ccc(N2CCN(CC2)CCCCN2CCC(=NO)c3c(n(cc3)C)C2=O)cc1	PC-id_10574491	427.515	FWVWWIZCELPZKO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128225
Fc1ccc(N2CCN(CC2)CCCN2CCC(=NO)c3c(n(cc3)CC)C2=O)cc1	PC-id_10455221	427.515	OWGLZCJYFHRQGJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128226
Fc1ccc(N2CCN(CC2)CCCN2CC/C(=N/O)/c3c(n(cc3)CC)C2=O)cc1	SCHEMBL6993246,PC-id_20083190	427.515	OWGLZCJYFHRQGJ-DAFNUICNSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128227
Fc1ccc(N2CCN(CCCN3CCC(N=O)c4c(n(cc4)CC)C3=O)CC2)cc1	PC-id_54002255	427.515	KMKQJMIFAGBGDY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128228
O/N=C
/CCN(C(=O)c2c1ccn2C)CCCCN1CCN(CC1)c1ccc(cc1)F	PC-id_102005243	427.515	FWVWWIZCELPZKO-DAFNUICNSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128229
O/N=C
/CCN(C(=O)c2c1ccn2CCCCN1CCN(CC1)c1ccc(cc1)F)C	SCHEMBL6987644	427.515	FZBIBHDKCFLWHK-DAFNUICNSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128230
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)N1CCCCC1	PC-id_1350829,CoCoCo_666220,EMOLS-id_177526765,MCULE-6829540837,ZINC22_1188786	427.517	INYYOAPNPXNAEJ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-128231
c1(NC(=O)c2c(C)noc2C)sc2c(CCCCCC2)c1C(=O)NCc1ccco1	PC-id_2970290,EMOLS-id_2496073,TIMTEC550506,CoCoCo_540161,MCULE-6711746043,ZINC22_16400251	427.517	XLWUWGNHYRKYFT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-128232
c1(NC(=O)CON=C(C)c2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C#N	PC-id_4322029,MCULE-5307504121	427.517	YHHVLRYSAUONNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128233
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2ccc(cc2)C(=O)OCC)C1	EMOLS-id_323364023,MCULE-3593042245	427.517	YQDHDLMCYKXWEW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-128234
COc1cc(ccc1OC)/C(=NOCC(=O)Nc1sc2c(c1C#N)CCCCC2)/C	CoCoCo_5986320,PC-id_6068929	427.517	YHHVLRYSAUONNT-QFEZKATASA-N	00000000100000110100000000000010000000000000000000000000	31-01-128235
COc1cc(ccc1OC)/C(=N/OCC(=O)Nc1sc2c(c1C#N)CCCCC2)/C	PC-id_9657590,EMOLS-id_26274367,ZINC22_9354842,CoCoCo_5986319,TIMTEC569811,STOCK2S-43166	427.517	YHHVLRYSAUONNT-AFUMVMLFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128236
COC(=O)c1c(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)sc2c1CCCCC2	EMOLS-id_42952230,MCULE-2654632627,ZINC22_59253586,PC-id_52638610	427.517	UGUQZQBXCSDDHB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-128237
O=CSC(C(=O)NC)Cc1ccc(cc1)OCc1nc2c(n1C)C=C(CC=C2)OC	PC-id_143433764	427.517	JUYZAGYBLJGEJZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128238
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)C2OCCC2)ccc1	PC-id_46643377	427.517	PPJSOIXBQKXTJZ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-128239
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CN(C(=O)C1)c1cc(OC)ccc1	PC-id_46556296	427.517	QVLJVWXOPIGQJV-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-128240
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1cc(NC(=O)C2CC2)ccc1	PC-id_46411428	427.517	FNUKXAINRZSUEJ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-128241
s1c2c(CCCCC2)c(c1NC(=O)CCC1=C(C(C(=O)N=C1C)C#N)C)C(=O)OC	PC-id_75889204	427.517	WYTNJAJMMWOCOX-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-128242
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(cc1)C)C(=O)OCC	PC-id_19659965	427.517	AGQIEOKKUFVFIL-YDZHTSKRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128243
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(cc1)C)C(=O)OCC	PC-id_73634433	427.517	AGQIEOKKUFVFIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128244
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=CCc1ccccc1)C(=O)OCC	PC-id_4609921	427.517	RCOFSPDAJSNMCG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128245
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/Cc1ccccc1)C(=O)OCC	PC-id_9679118	427.517	RCOFSPDAJSNMCG-OEAKJJBVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128246
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCCn1c2c(oc1=O)cccc2	PC-id_26636069	427.517	MZGQPERLEDDJID-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128247
s1c2CCCCCc2c(c1NC(=O)CSc1nc([nH]n1)c1c(F)cccc1)C#N	PC-id_41237142	427.518	DBDVQTMXHASZQK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128248
C/C(=Cc1ccco1)/CN1CCc2nnc(CNS(=O)(=O)c3ccccc3)n2CC1	EMOLS-id_68878966,ZINC22_299768877,PC-id_118755231	427.52	NCHLHUQLJWBOQE-SAPNQHFASA-N	00000000101000110101000000000010000000000000000000000000	31-01-128249
CC/C(=CC(OC)C)/Cn1cnc2=CC(N=CN=c12)SCc1ccc(cc1)[N+](=O)[O-]	PC-id_142815924	427.52	FTBGLDVODPZMJN-CXUHLZMHSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128250
CN(Cc1cnn(c1)c1ccccc1)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317418845,MCULE-9478632596	427.52	VSNLHDHHPFLOEN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128251
COc1ccc(cc1OC)c1scc(n1)C(=O)N(Cc1nnc2n1CCCCC2)C	CoCoCo_4453010,PC-id_45862652	427.52	OPWXNIXBDAQKKG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128252
COc1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1	MCULE-7240071988,ZINC22_19741248,CoCoCo_1149140,EMOLS-id_20413028,PC-id_28310300,CoCoCo_1149139	427.52	MTYLHGKKGLQJTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128253
s1c2c(CCCCC2)c(c1NC(=O)CCc1c(n2ncnc2nc1C)C)C(=O)OC	PC-id_52598440	427.52	STBRFWPJKSJMLV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128254
s1c2c(CCCCC2)c(c1NC(=O)COc1nn(c2nc(cc(c12)C)C)C)C(=O)N	PC-id_56445666	427.52	NZRPTHYEUSWKIU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128255
S(c1n2CCCCCc2nn1)CC1=C(C(NC(=O)N1C)c1ccccc1)C(=O)OC	PC-id_43058178	427.52	GDPAHRAPSBSMQG-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-128256
S(=O)(=O)(c1ccccc1)NCc1nnc2CCN(CC(=Cc3ccco3)C)CCn12	MCULE-4591682464	427.52	NCHLHUQLJWBOQE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-128257
COc1ccc(cc1F)C(=O)c1sc2c(c1)C=C(CC(=C2)CCN1CCOCC1)C	SCHEMBL12950457,PC-id_70805521	427.532	MKVGDKKEGKDSPN-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-128258
N#Cc1c(NC(=O)CNC2(CCOCC2)c2ccc(cc2)F)sc2c1CCCCC2	PC-id_86899841	427.535	VTTRWICGSZUMGE-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-128259
s1c2c(CCCCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)Nc1c(cccc1)C	PC-id_74534309	427.536	BYDBLDFVEUDOAN-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-128260
s1c2c(CCCCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)Nc1cc(ccc1)C	PC-id_74534319	427.536	SGBDSVMMIIJKPH-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-128261
s1c2c(CCCCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)Nc1c(cccc1)C	PC-id_27526495	427.536	BYDBLDFVEUDOAN-CQSZACIVSA-M	00000000100000110100000000000010000000000000000000000000	31-01-128262
s1c2c(CCCCC2)c(c1NC(=O)C[C@@H](CC(=O)[O-])C)C(=O)Nc1c(cccc1)C	PC-id_27526497	427.536	BYDBLDFVEUDOAN-AWEZNQCLSA-M	00000000100000110100000000000010000000000000000000000000	31-01-128263
s1c2c(CCCCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)Nc1cc(ccc1)C	PC-id_27526554	427.536	SGBDSVMMIIJKPH-OAHLLOKOSA-M	00000000100000110100000000000010000000000000000000000000	31-01-128264
s1c2c(CCCCC2)c(c1NC(=O)C[C@@H](CC(=O)[O-])C)C(=O)Nc1cc(ccc1)C	PC-id_27526556	427.536	SGBDSVMMIIJKPH-HNNXBMFYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-128265
Cc1c(ccc(c1)c1nn(c(c1)C(C)C)CC(=O)N1CCc2c(CC1)sc(n2)N)F	SCHEMBL15001996,PC-id_89607913	427.538	RHDUIDACUBLLNZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128266
Cc1c(ccc(c1)c1nn(c(n1)C(C)C)CC(=O)N1CCc2c(CC1)sc(n2)C)F	PC-id_89623155,SCHEMBL15024402	427.538	XJHXVKBPEBVGLK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128267
Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)s1	ZINC22_20783734,PC-id_29153335,EMOLS-id_20521775,MCULE-5772678167,CoCoCo_1302842,CoCoCo_1302843	427.538	ZBDMGXIDEOIVCZ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-128268
Cc1ccsc1CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1	EMOLS-id_20466205,MCULE-1474008502,ZINC22_20212244,CoCoCo_1222826,PC-id_28739955,ChEMBL-DNDi_CHEMBL21644770,CoCoCo_1222825	427.538	SGXBYWKLYOFCPC-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-128269
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)N)c1cc(C)c(c(c1)C)F	SCHEMBL15002115,PC-id_89608026	427.538	NVWRQTABSDHPKI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128270
CCCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(c(n1)C)F	SCHEMBL15002347,PC-id_89608251	427.538	HDZWOSPRRPKZIW-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-128271
CCCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)N)c1ccc(c(c1)C)F	PC-id_89607886,SCHEMBL15001969	427.538	ZIFRQMIDSUCLQW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128272
CCCc1nc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(c(c1)C)F	SCHEMBL15024400,PC-id_89623153	427.538	UMLSPUJYIGRURU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128273
s1c2c(CCCCC2)c(c1NC(=O)CCSC1NC(O)CC(=O)N1)C(=O)OC	PC-id_74171699	427.538	IFXZEKBYTQDQLO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128274
s1c2c(CCCCC2)c(c1NC(=O)C(SC1NC(O)CC(=O)N1)C)C(=O)OC	PC-id_74128151	427.538	RISMSOWKPALVES-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128275
s1c2c(CCCCC2)c(c1NC(=O)CSC1NC(O)CC(=O)N1)C(=O)OCC	PC-id_73380456	427.538	MJGYDOPWOGPCOM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128276
s1c2c(CCCCCC2)c(c1NC(=O)CSC1NC(O)CC(=O)N1)C(=O)OC	PC-id_73630763	427.538	GBNFHJPZWGSQHR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128277
c1(C(CC(C)C)NC(=O)C)nnc2CCN(CC=Cc3ccc(c(OC)c3)O)CCn12	PC-id_75100870,MCULE-1462744604	427.54	IXLZQECDNSCBIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128278
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccccc3OC)CCn12	PC-id_45174006,EMOLS-id_20415504,MCULE-5563960581	427.54	XFHPRMYGEQARPV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128279
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3cccc(OC)c3)CCn12	PC-id_45195459,EMOLS-id_20508583,MCULE-4478860113	427.54	GYPBMXPPUUTBTM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128280
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(cc3)OCC)CCn12	EMOLS-id_20586463,MCULE-1742620033,PC-id_45213364	427.54	NAEBWQQWVMBYAO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128281
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccccc3OCC)CCn12	MCULE-8273167942,PC-id_45203446,EMOLS-id_20543629	427.54	HBQMEVHDVGKKRW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128282
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(c(C)c3)OC)CCn12	PC-id_45188739,MCULE-7676379479,EMOLS-id_20479125	427.54	APARKUUHBZFAGP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128283
c1(C(=O)N2CCC(CC2)Cc2onc(C3CCOCC3)n2)c2CCCCCCc2[nH]n1	MCULE-7249971684,EMOLS-id_49701833	427.54	TYAFBEKNGUVBDH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-128284
CC(C)C[C@H](C(=O)N(C)Cc1nnc2n1CCCCC2)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	PC-id_52290290,ZINC22_48291059	427.54	MJVGLNMZETUZHM-OKZBNKHCSA-N	00000010100011000101000000000110000000000000000000000000	31-01-128285
CC(C)C[C@@H](C(=O)N(C)Cc1nnc2n1CCCCC2)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	PC-id_98273918,ZINC22_102020234	427.54	MJVGLNMZETUZHM-KSZLIROESA-N	00000010100011000101000000000110000000000000000000000000	31-01-128286
CC(C)C[C@H](C(=O)N(C)Cc1nnc2n1CCCCC2)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	ZINC22_102020240,PC-id_98273919	427.54	MJVGLNMZETUZHM-FGTMMUONSA-N	00000010100011000101000000000110000000000000000000000000	31-01-128287
CC(C)C[C@H](C(=O)N(C)Cc1nnc2n1CCCCC2)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	ZINC22_248118921	427.54	MJVGLNMZETUZHM-KZNAEPCWSA-N	00000010100011000101000000000110000000000000000000000000	31-01-128288
CC(CC(N1C(=O)C2C(C1=O)CC=CC2)C(=O)N(Cc1nnc2n1CCCCC2)C)C	MCULE-2438438612,PC-id_47023650,EMOLS-id_30687646	427.54	MJVGLNMZETUZHM-UHFFFAOYSA-N	00000010100011000101000000000110000000000000000000000000	31-01-128289
CCCN1CCN(CC1)C(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	EMOLS-id_207876620,MCULE-2675508259	427.54	MTISDHUPOUXWLU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128290
CCOc1ccc(cc1)CN1CCc2n(CC1)c(nn2)CCNC(=O)C1CCOCC1	PC-id_29215834,CoCoCo_1326336,CoCoCo_1326337	427.54	LAANFHZIKYDJJU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128291
CCOc1ccccc1CN1CCc2nnc(CCNC(=O)C3CCOCC3)n2CC1	CoCoCo_1169556,ZINC22_19835649,EMOLS-id_20427807,MCULE-6559695413,PC-id_28388781,CoCoCo_1169557	427.54	WLUSCMWYFYERPN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128292
CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1	CoCoCo_1334271,ZINC22_20919809,CoCoCo_1334270	427.54	HBQMEVHDVGKKRW-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128293
CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1	CoCoCo_1334273,ZINC22_20919816,CoCoCo_1334272	427.54	HBQMEVHDVGKKRW-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128294
CCOc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1	CoCoCo_1398074,ZINC22_14996377,CoCoCo_1398073	427.54	NAEBWQQWVMBYAO-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128295
CCOc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1	CoCoCo_1398076,CoCoCo_1398075,ZINC22_14996379	427.54	NAEBWQQWVMBYAO-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128296
COc1ccccc1CN1CCc2nnc([C@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	CoCoCo_1152556,CoCoCo_1152558,ZINC22_257372012	427.54	XFHPRMYGEQARPV-GHTZIAJQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128297
COc1ccccc1CN1CCc2nnc([C@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	CoCoCo_1152559,ZINC22_12154871,CoCoCo_1152557	427.54	XFHPRMYGEQARPV-WIYYLYMNSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128298
COc1ccccc1CN1CCc2nnc([C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	CoCoCo_1152561,CoCoCo_1152563,ZINC22_12154865	427.54	XFHPRMYGEQARPV-NQIIRXRSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128299
COc1ccccc1CN1CCc2nnc([C@@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	ZINC22_257372013,CoCoCo_1152560,CoCoCo_1152562	427.54	XFHPRMYGEQARPV-RXVVDRJESA-N	00000010100000110101000000000010000000000000000000000000	31-01-128300
COc1ccc(cc1)C(=O)NC(C(=O)NCCCc1nnc2n1CCCCC2)C(C)C	PC-id_86884613	427.54	MODAORSLHKNEFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128301
COc1cccc(c1)N1CCN(CC1)C(=O)C1CCCCc2n1c(=O)n(n2)CC(C)C	EMOLS-id_207869355	427.54	VLBAZQCIYJJEDZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128302
COc1cc(/C=C/CN2CCc3nnc(C(CC(C)C)NC(=O)C)n3CC2)ccc1O	EMOLS-id_232753313,ChEMBL-DNDi_CHEMBL52720000,PC-id_45218418	427.54	IXLZQECDNSCBIH-AATRIKPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128303
COc1cc(/C=C/CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)ccc1O	CoCoCo_1429801,ZINC22_14952701,CoCoCo_1429803	427.54	IXLZQECDNSCBIH-UEKDZROGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128304
COc1cc(/C=C/CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)ccc1O	ZINC22_14952696,CoCoCo_1429797,CoCoCo_1429799	427.54	IXLZQECDNSCBIH-ZMBJWTFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128305
COc1cccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1	CoCoCo_1283541,CoCoCo_1283542,ZINC22_257371978	427.54	GYPBMXPPUUTBTM-GHTZIAJQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128306
COc1cccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1	CoCoCo_1283544,CoCoCo_1283543,ZINC22_11910250	427.54	GYPBMXPPUUTBTM-WIYYLYMNSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128307
COc1cccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_11910249,CoCoCo_1283547,CoCoCo_1283548	427.54	GYPBMXPPUUTBTM-NQIIRXRSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128308
COc1cccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_257371979,CoCoCo_1283546,CoCoCo_1283545	427.54	GYPBMXPPUUTBTM-RXVVDRJESA-N	00000010100000110101000000000010000000000000000000000000	31-01-128309
COc1cc(/C=CCN2CCn3c(CC2)nnc3[C@H](NC(=O)C)CC(C)C)ccc1O	CoCoCo_1429798,CoCoCo_1429796	427.54	IXLZQECDNSCBIH-SFFCAUCYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128310
COc1cc(/C=CCN2CCn3c(CC2)nnc3[C@@H](NC(=O)C)CC(C)C)ccc1O	CoCoCo_1429800,CoCoCo_1429802	427.54	IXLZQECDNSCBIH-VOFKWLDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128311
COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)c(C)c1C	MCULE-8623868359,EMOLS-id_20459661,PC-id_45184216	427.54	PCTQTDHAQNRWED-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128312
COc1ccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c(C)c1C	CoCoCo_1213663,PC-id_26281381,CoCoCo_1213665,ZINC22_14887235	427.54	PCTQTDHAQNRWED-HXUWFJFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128313
COc1ccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(C)c1C	PC-id_26281378,CoCoCo_1213666,CoCoCo_1213664,ZINC22_14887233	427.54	PCTQTDHAQNRWED-FQEVSTJZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128314
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1C	CoCoCo_1241493,CoCoCo_1241492,ZINC22_20453413	427.54	APARKUUHBZFAGP-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128315
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1C	ZINC22_20453415,CoCoCo_1241494,CoCoCo_1241495	427.54	APARKUUHBZFAGP-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128316
COc1ccc(O)c(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c1	CoCoCo_1221180,MCULE-1445674168,PC-id_28739475,EMOLS-id_20465061,ZINC22_20211430,CoCoCo_1221179	427.54	YPJQYWXHWFNXMS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128317
COCC(=O)NC(c1nnc2n1CCN(CC2)Cc1ccc2c(c1)CCO2)CC(C)C	ChEMBL-DNDi_CHEMBL13827124,PC-id_56852362	427.54	YNFQUVACWJEHNA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128318
O1C(CCC1)CN(Cc1ccc(N(C)C)cc1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55602824	427.54	OKCBXWAMDZJWHX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128319
O1C(CN(CC1C)Cc1c(CNC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1)C	PC-id_55745409	427.54	DPBZRFJTVCPALR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128320
O1CCN(CC(N(Cc2ccccc2)C(=O)Cn2nc3n(CCCCC3)c2=O)C)CC1	PC-id_56501236	427.54	QVIWUERAQWMUIW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128321
O(c1c(C(N2CCCCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1)C	PC-id_55888542	427.54	KGXYFKBCZKPKSB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128322
O=C1N([C@@H](CC(C)C)C(=O)N(Cc2n3CCCCCc3nn2)C)C(=O)[C@@H]2[C@@H]1CC=CC2	PC-id_52290289	427.54	MJVGLNMZETUZHM-BZSNNMDCSA-N	00000010100011000101000000000110000000000000000000000000	31-01-128323
O=C(NCC1CCN(CC1)Cc1ccc(OC)cc1)Cn1nc2n(CCCCC2)c1=O	PC-id_56178777	427.54	XVIIQPPAYQHWMF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128324
O=C(NCCc1n2CCCCCc2nn1)[C@@H](NC(=O)OCc1ccccc1)[C@H](CC)C	PC-id_55941966	427.54	QCQWSVWIPCQTHA-UWJYYQICSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128325
O=C(NCCc1n2CCCCCc2nn1)C(NC(=O)OCc1ccccc1)C(CC)C	PC-id_76277372	427.54	QCQWSVWIPCQTHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128326
s1c2c(CCCCC2)c(c1NC(=O)c1nc(sc1)c1c(OC)cccc1)C(=O)N	PC-id_56204676	427.54	ZLCGHEYTPFCKSD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128327
s1c2c(CCCCC2)c(c1NC(=O)Cc1nc(sc1)c1cccnc1)C(=O)OC	PC-id_52638639	427.54	MHCCKUHVMDFXOY-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-128328
s1c2c(CCCCC2)c(c1NC(=O)Cc1nc(sc1)c1ncccc1)C(=O)OC	PC-id_52598441	427.54	KRYQCVAYJBKFGV-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-128329
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)C(=O)c1occc1)C)C#N	PC-id_41082385	427.54	KKBDLAUVGQGAMU-HNNXBMFYSA-O	00000000101010000101000000000010000000000000000000000000	31-01-128330
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)C(=O)c1occc1)C)C#N	PC-id_41082388	427.54	KKBDLAUVGQGAMU-OAHLLOKOSA-O	00000000101010000101000000000010000000000000000000000000	31-01-128331
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1C(CCC1)C(=O)NCc1occc1)C#N	PC-id_85487217	427.54	WEDXYYXHYBXLQQ-UHFFFAOYSA-O	00000010101000000100000000000010000000000000000000000000	31-01-128332
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCN(CC1)C(=O)c1occc1)C)C#N	PC-id_74745378	427.54	KKBDLAUVGQGAMU-UHFFFAOYSA-O	00000000101010000101000000000010000000000000000000000000	31-01-128333
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1[C@H](CCC1)C(=O)NCc1occc1)C#N	PC-id_34452262	427.54	WEDXYYXHYBXLQQ-GOSISDBHSA-O	00000010101000000100000000000010000000000000000000000000	31-01-128334
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1[C@@H](CCC1)C(=O)NCc1occc1)C#N	PC-id_34452267	427.54	WEDXYYXHYBXLQQ-SFHVURJKSA-O	00000010101000000100000000000010000000000000000000000000	31-01-128335
s1c2CCCCCc2nc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1	PC-id_24611801	427.54	PIUNUYDHTJIEHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128336
s1c2CCCCCc2nc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1	PC-id_24611802	427.54	XNMZDWKNYZMFNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128337
N#C/C(=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)/CC1)/c1nnc2n1CCCCC2	CoCoCo_3716911	427.541	UKXDJTXBUAMCIU-JJTZBBGQSA-N	00000011100010110101100000000010000000000000000000000000	31-01-128338
N#C/C(=C/C1=C(N2CCOCC2)/C(=Cc2ccccc2)/CC1)/c1nnc2n1CCCCC2	CoCoCo_3716912	427.541	UKXDJTXBUAMCIU-KLYOSYPGSA-N	00000011100010110101100000000010000000000000000000000000	31-01-128339
N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)/CC1)/c1nnc2n1CCCCC2	CoCoCo_3716913	427.541	UKXDJTXBUAMCIU-AJZYWNCJSA-N	00000011100010110101100000000010000000000000000000000000	31-01-128340
N#CC(=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1)c1nnc2n1CCCCC2	EMOLS-id_44489191,PC-id_3294381,MCULE-8591894639	427.541	UKXDJTXBUAMCIU-UHFFFAOYSA-N	00000011100010110101100000000010000000000000000000000000	31-01-128341
N#C/C(=CC1=C(N2CCOCC2)/C(=Cc2ccccc2)/CC1)/c1nnc2n1CCCCC2	PC-id_2313514,CoCoCo_3716910	427.541	UKXDJTXBUAMCIU-XBEYGGDISA-N	00000011100010110101100000000010000000000000000000000000	31-01-128342
O1CCN(C2=C(CCC2=Cc2ccccc2)/C=C(/c2n3CCCCCc3nn2)C#N)CC1	PC-id_2313512	427.541	UKXDJTXBUAMCIU-NLWBQESXSA-N	00000011100010110101100000000010000000000000000000000000	31-01-128343
O1CCN(C2=C(CCC2=Cc2ccccc2)/C=C(c2n3CCCCCc3nn2)/C#N)CC1	PC-id_2313515	427.541	UKXDJTXBUAMCIU-RUGYZZBMSA-N	00000011100010110101100000000010000000000000000000000000	31-01-128344
Cc1occc1c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1C	ZINC22_9980569,CoCoCo_3102291,PC-id_16281520,EMOLS-id_5030181,MCULE-5593896829	427.543	BMOGKYWMWKOTBQ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-128345
C[C@H](Sc1nnc(c2ccco2)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4177946,ZINC22_9788863,PC-id_41213802	427.543	SULUQSLGVDGKSC-LBPRGKRZSA-N	00000000101000000101100000000010000000000000000000000000	31-01-128346
C[C@@H](Sc1nnc(c2ccco2)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41213803,ZINC22_9788864,CoCoCo_4177945	427.543	SULUQSLGVDGKSC-GFCCVEGCSA-N	00000000101000000101100000000010000000000000000000000000	31-01-128347
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)C(=O)c1ccco1	PC-id_111168387	427.543	WATBTRVXMSRYHY-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-128348
COc1cc(OC)cc(c1)N1CCC(C1)NC(=NC)NCc1nnc2n1CCCCC2	PC-id_111924905	427.543	XQJFDUKJMSOXNM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-128349
N#Cc1c(NC(=O)C(Sc2nnc(n2C)c2ccco2)C)sc2c1CCCCC2	PC-id_16333081,EMOLS-id_11771629,MCULE-8183707395	427.543	SULUQSLGVDGKSC-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-128350
O=C(c1ccc(cc1)CSc1ncn[nH]1)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3916475,PC-id_24596610,EMOLS-id_43920993,CoCoCo_3916474,CoCoCo_3916476,MCULE-2960150446,CoCoCo_3916473	427.543	LLBVQKVXOUPCBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128351
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(Cc2occc2)cnn1)C)C#N	PC-id_24587267	427.543	STXWEGQRRYVCPU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-128352
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)c1occc1)C#N	PC-id_19724209	427.543	MGFWZVVPUCSCTG-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-128353
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1occc1)C)C#N	PC-id_19724173	427.543	UZSMLGDYTUZFJZ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-128354
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(OC)c(c(OC)c1)C)C#N	PC-id_24383497	428.501	YLOMPAZDLQEYSF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128621
c1ccc(cn1)c1nn(cc1CNCCc1nnc2n1CCCCC2)Cc1ccccc1	MCULE-2932937718,PC-id_51126327	427.545	VNDCALQNRWRFCM-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-128355
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(C(=O)C1)c1cnn(c1)C	PC-id_109433503	427.546	NVJKJHONFATMKX-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-128356
O=C(NCCCN1CCN(CC1)c1ncccn1)NCCc1n2CCCCCc2nn1	PC-id_55598054	427.546	USMPMOYAESOKFH-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-128357
Fc1c2CN(Cc2ccc1)C(=O)ON1CCCCCCCCCCCn2c(C1)ccc2	PC-id_69095278,SCHEMBL4564403	427.555	GZJWZBSMXKPYJU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128358
CC(=O)NCCCc1ccc(C(=O)COC(=O)c2cc3c(s2)CCCCCC3)cc1	ZINC22_23297313,MCULE-6150064087,CoCoCo_3936205,EMOLS-id_43925328,PC-id_30995364	427.556	TYYOEICOVVCWIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128359
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1ccc(F)cc1)C#N	PC-id_8703870	427.558	LTEIJZWZCYSKRV-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-128360
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1ccc(F)cc1)C)C#N	PC-id_9431520	427.558	HQUZWAQNBHTOOY-INIZCTEOSA-O	00000000100010110101100000000010000000000000000000000000	31-01-128361
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1ccc(F)cc1)C)C#N	PC-id_9431526	427.558	HQUZWAQNBHTOOY-MRXNPFEDSA-O	00000000100010110101100000000010000000000000000000000000	31-01-128362
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1ccc(F)cc1)C)C#N	PC-id_85008348	427.558	HQUZWAQNBHTOOY-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-128363
CCOC(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)CCCCCC4)CC2)nc1	EMOLS-id_24130463,ZINC22_12849692,PC-id_25551023,MCULE-4470440705,CoCoCo_4763342	427.56	LIMMJDWXTYBYEW-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-128364
CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(s1)CCCCC2	PC-id_9303838,CoCoCo_3184523,MCULE-4398129742,EMOLS-id_11786489,ZINC22_8170888	427.56	SGCXZXSWWBFARH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128365
COc1ccccc1N1CCN(CC1)CCCC(=O)c1cc2c(s1)CCCC(=O)N2	PC-id_21472017,SCHEMBL8917105	427.56	QZODEHLMMKALDA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128366
COc1cccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1OC	ZINC22_16620871,MCULE-9694004159,CoCoCo_3585269,EMOLS-id_19534067,CoCoCo_3585270,PC-id_24428333	427.56	DASMKRWCEIURFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128367
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)c1ccc(cc1)C)C(C)C	PC-id_31845729	427.56	FTCJDTXUTWIOBQ-FQEVSTJZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128368
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)c1c(cccc1)C)C(C)C	PC-id_43004218	427.56	CEWWHWPQBBRLFW-FQEVSTJZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128369
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C	PC-id_9163627	427.56	IRSXOVYSXVQJGF-NRFANRHFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128370
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC(=O)c1ccc(cc1)C)C(C)C	PC-id_74618887	427.56	FTCJDTXUTWIOBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128371
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC(=O)c1c(cccc1)C)C(C)C	PC-id_74851891	427.56	CEWWHWPQBBRLFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128372
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC(=O)Cc1ccccc1)C(C)C	PC-id_84942062	427.56	IRSXOVYSXVQJGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128373
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC(=O)CC(C)C)c1ccccc1	PC-id_56438847	427.56	XIYBUQDPKDMICT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128374
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1cc(OC)c(OC)cc1)C)C#N	PC-id_24428209	427.56	OEEHBDOVUCKJLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128375
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1c(OC)cc(OC)cc1)C)C#N	PC-id_24428235	427.56	MDQJQUVZXRYGGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128376
s1c2c(CCCCC2)c(c1NC(=O)CCN(CC1OCCC1)Cc1occc1)C#N	PC-id_75916018	427.56	CEJQPYXCAMIJQE-UHFFFAOYSA-N	00000010101000000100000000000010000000000000000000000000	31-01-128377
s1c2c(CCCCC2)c(c1NC(=O)CCN(C[C@H]1OCCC1)Cc1occc1)C#N	PC-id_52748138	427.56	CEJQPYXCAMIJQE-SFHVURJKSA-N	00000010101000000100000000000010000000000000000000000000	31-01-128378
s1c2c(CCCCC2)c(c1NC(=O)CCN(C[C@@H]1OCCC1)Cc1occc1)C#N	PC-id_52748140	427.56	CEJQPYXCAMIJQE-GOSISDBHSA-N	00000010101000000100000000000010000000000000000000000000	31-01-128379
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccccc1)C(=O)OC	PC-id_2685096	427.56	GZEFLFRZHVCOSO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128380
s1c2CCCCCc2c(c1NC(=O)C(N(Cc1cc(OC)c(OC)cc1)C)C)C#N	PC-id_24506825	427.56	IMTOFAWBXYHOQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128381
s1c2CCCCCc2c(c1NC(=O)C(NC(c1c(OC)ccc(OC)c1)C)C)C#N	PC-id_55431946	427.56	KMZFLTOLXYADAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128382
s1c2CCCCCc2c(c1NC(=O)C(N(Cc1c(OC)cc(OC)cc1)C)C)C#N	PC-id_55432339	427.56	WQQDCAZLPXYSJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128383
s1c2CCCCCc2c(c1NC(=O)C(N(Cc1c(OC)c(OC)ccc1)C)C)C#N	PC-id_24506927	427.56	LQMYBCRKXSHGSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128384
s1c2CCCCCCc2cc1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1	PC-id_60364363	427.56	PBSLCBDGERTELZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128385
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(CN2CCOCC2)ccc1	PC-id_56473166	427.56	BPVQRYKCWWSSRY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128386
s1c2CCCCCCc2cc1C(=O)NNC(=O)CC(NC(=O)C)c1ccc(cc1)C	PC-id_46523706	427.56	WVQNSTPAIUHUFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128387
C1CCCc2c(CC1)c(c(s2)N=Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1	PC-id_137051446	427.561	NGSIYBSWGYMDAR-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-128388
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccccc1F	PC-id_111149026	427.561	VPTKYESLFBUTLG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128389
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccc(cc1)F	PC-id_111165739	427.561	VPAHKEGANFDWSN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128390
CN=C(NC1CCCN(C1)c1cccc(c1)F)NCCCc1nnc2n1CCCCC2	PC-id_112080765	427.561	NVFXLWOUTGMPHL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128391
CN=C(NC1CCN(CC1)c1cccc(c1)F)NCCCc1nnc2n1CCCCC2	PC-id_112078563	427.561	WZWDIOLJIVMLOP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128392
O=C(Nc1ccccc1)c1c(/N=C/c2c[nH]c3ccccc23)sc2c1CCCCCC2	ZINC22_408972000	427.561	NGSIYBSWGYMDAR-OGLMXYFKSA-N	00000000100000110100000001100010000000000000000000000000	31-01-128393
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1sc(CNC(=O)C)cc1	PC-id_16553858	427.561	PUPRDAPZSFLVCK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-128394
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3cc4c(cccc4)s3)CCn12	EMOLS-id_20522023,MCULE-8921840671,PC-id_45198482	427.563	VZVTYQAJTOVHNS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128395
CC1C=Cc2c(C=C1)sc([n+]2ONC1CCSC1=O)N=NC1=CC=CC(C=C1)C	PC-id_143728722	427.563	CJACIQHTSKWESA-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-128396
Cc1cc(CN2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)no1	CoCoCo_4231365,ZINC22_22776884,PC-id_9319905,CoCoCo_4231366	427.563	SCXOSPMEWLWWIT-INIZCTEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128397
Cc1cc(CN2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)no1	ZINC22_22776889,PC-id_9319913,CoCoCo_4231368,CoCoCo_4231367	427.563	SCXOSPMEWLWWIT-MRXNPFEDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128398
CCc1cc2c(s1)CCC(=O)N(C2=O)CCCCN1CCN(CC1)c1ncccn1	SCHEMBL9038972,PC-id_23183669	427.563	CLWVNJRFOVHDJK-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-128399
CC(=O)C1CCN(C(=O)c2c1scc2)CCCCN1CCN(CC1)c1ncccn1	PC-id_21695257,SCHEMBL9041094	427.563	OFYRNELCXMDRQA-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-128400
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2)C(C)C	CoCoCo_1303272,CoCoCo_1303271,ZINC22_12035973	427.563	VZVTYQAJTOVHNS-NRFANRHFSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128401
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2)C(C)C	ZINC22_12035976,CoCoCo_1303270,CoCoCo_1303269	427.563	VZVTYQAJTOVHNS-OAQYLSRUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128402
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s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1noc(c1)C)C#N	PC-id_45769425	427.563	LJUFFKAKYJFKGG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128412
s1c2CCCCCCc2nc1NC(=O)CCc1c(c2c(n(nc2OC)C)nc1C)C	PC-id_56021089	427.563	JEKRGKKOQUDWBG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128413
s1c2CCCCCCc2nc1NC(=O)CCC1C(NC(NC1=O)c1ccncc1)C	PC-id_76343030	427.563	HDBAIABYCBZBIC-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-128414
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c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3c(C)cc(c(C)c3)C)CCn12	PC-id_45178652,EMOLS-id_20435507,MCULE-5313279737	427.583	OFCPAABHZAMDOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128426
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COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C(C)C)cc1)CC2	ZINC22_12041737,CoCoCo_1179114,PC-id_42372638,CoCoCo_1179113	427.583	FPPWDGODKIFUAN-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128433
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C(C)C)cc1)CC2	ZINC22_12041740,CoCoCo_1179112,PC-id_42372641,CoCoCo_1179111	427.583	FPPWDGODKIFUAN-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128434
s1c2CCCCCc2cc1C(=O)NNC(=O)CC[NH+]1CCN(CC1)c1ccccc1	PC-id_7891833	427.583	IHLYEPVBGSRQIB-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-128435
s1c2CCCCCCc2cc1C(=O)NCCC(=O)N1CCN(CC1)c1[nH+]cccc1	PC-id_52539300	427.583	TVIVLCJZQGFVIK-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-128436
s1c2CCCCCCc2nc1NC(=O)c1c(SCc2c(onc2C)C)cccc1	PC-id_56021083	427.583	PLKMJGLMFMTMJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128437
Cc1nc(CSc2ccc(C(=O)N(C)Cc3nnc4n3CCCCC4)cc2)cs1	MCULE-3379640052,PC-id_32156152,CoCoCo_4663511,ZINC22_24840279,EMOLS-id_18854609	427.586	DTULBEMQLYJXMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128438
CCc1ccc(N(C(=O)C)c2nc(CSc3nnc4n3CCCCC4)cs2)cc1	CoCoCo_3081478,ZINC22_9812351,EMOLS-id_11711307,MCULE-6962973030,PC-id_16293136	427.586	FTRQRSQAQXDDCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128439
CCNC(=NCC(c1ccco1)N1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111007863	427.586	PXJMVJRWQPYDQF-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-128440
CCNC(=NCC(c1ccco1)N1CCCCC1)NCCc1nnc2n1CCCCC2	PC-id_111304917	427.586	XBUWTSZVTLJRFT-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-128441
CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nnc3n2CCCCC3)cs1	PC-id_16357064,EMOLS-id_11801560,ZINC22_9500408,CoCoCo_3081344,MCULE-8614167515	427.586	QUDGZGDXQLEYBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128442
CC(=O)N(c1nc(CSc2nnc3n2CCCCC3)cs1)c1cccc(C)c1C	MCULE-3847350436,ZINC22_14164990,PC-id_17457207,CoCoCo_3081485,EMOLS-id_13494355	427.586	LBHUZUYZBWTKBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128443
CN=C(NCC(c1ccco1)N1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111305029	427.586	WUELUKYKNQPWIA-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-128444
s1c2CCCCCCc2nc1NC(=O)CCn1c(n[nH]c1=S)c1cc(ccc1)C	PC-id_56021337	427.586	JTDRKDADUFWPFC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128445
S(c1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1)Cc1nc(sc1)C	PC-id_55536199	427.586	JVEAQLPRWJSBFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128446
S(c1n(c(nn1)C1CC1)CC=C)C(C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_43014468	427.586	PVXYEAAUYMXCBL-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-128447
S(c1n(c(nn1)C1CC1)CC=C)CC(=O)Nc1sc2CCCCCCc2c1C#N	PC-id_19726894	427.586	QATKVTJJNNPXMP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-128448
S(c1n(c(nn1)C1CC1)CC=C)[C@@H](C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_27299586	427.586	PVXYEAAUYMXCBL-CYBMUJFWSA-N	00100000100000000101100000000010000000000000000000000000	31-01-128449
S(c1n(c(nn1)C1CC1)CC=C)[C@H](C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_27299587	427.586	PVXYEAAUYMXCBL-ZDUSSCGKSA-N	00100000100000000101100000000010000000000000000000000000	31-01-128450
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCc2n(C1)nc(n2)C(C)C	PC-id_112080265	427.589	YUTXEXIMRFEARO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-128451
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCN(C1)c1cnn(c1)C	PC-id_112081841	427.589	CVBGGYCOGOQWCQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-128452
c1(c2CCCCCCCCCCc2sc1NC(=O)c1ccccc1)C(=O)OC(C)C	SPECS-id_AK-968/15602008,CoCoCo_5827890,EMOLS-id_4111737,MCULE-5086700310,ZINC22_2759879,TIMTEC332839,PC-id_4689148	427.599	NIVNQCMCOLDZAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128453
c1(c2CCCCCc2sc1NC(=O)CNCC(C)C)C(=O)Nc1ccccc1CC	MCULE-2449031151,ZINC22_4554291,TIMTEC307496,EMOLS-id_2785238,CoCoCo_6723884,PC-id_3841554	427.603	MGTXUQRHQGOKAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128454
c1(C(=O)NCCCN2CCN(CC2)c2ccc(cc2)OC)csc2CCCCCc12	PC-id_20881873,MCULE-5431617530,CoCoCo_2171585,CoCoCo_2171586,EMOLS-id_16062855	427.603	HIHJNRRLPYJCOK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128455
COc1ccccc1N1CCN(CC1)CCCCN1CCCc2c(C1=O)cc(s2)C	SCHEMBL9038875,PC-id_19881088	427.603	MASWMMZWSWSJNV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128456
COc1nc(C)cc(c1CN1CCCc2c(C1=O)c(C)c(s2)CC1CCNCC1)C	PC-id_145396277	427.603	HPHUUQSRYJZTIA-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-128457
O=C1N(CCCc2c1c(C)c(s2)C(C1CCNCC1)C)Cc1c(C)cc([nH]c1=O)C	SCHEMBL19553874	427.603	PTUKTDNOBCLDLT-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-128458
O=C1N(CCCc2c1c(C)c(s2)CCC1CCNCC1)Cc1c(C)cc([nH]c1=O)C	SCHEMBL19553877	427.603	JJEBKDSYMUQPQT-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-128459
O=C1N(CCCc2c1c(C)c(s2)[C@@H](C1CCNCC1)C)Cc1c(C)cc([nH]c1=O)C	SCHEMBL18362846	427.603	PTUKTDNOBCLDLT-MRXNPFEDSA-N	00000000100010101100000000000010000000000000000000000000	31-01-128460
s1c2c(CCCCCC2)cc1C(=O)N(CCCN1CCOCC1)Cc1ccncc1	PC-id_60345374	427.603	CSUVHEPCJOWQFV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-128461
Cc1cc2c(s1)CCCN(C2=O)CCCCCCN1CCN(CC1)c1ncccn1	PC-id_139603497	427.606	AQKAALFQUPQMOW-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-128462
CC(C1CCCCC1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCNCC1	PC-id_89125876	427.606	XEJBDKXCEGCESL-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-128463
CC(C)c1ccc(CN2CCN(C(=O)CSc3nnc4n3CCCCC4)CC2)cc1	ZINC22_23762144,EMOLS-id_48335585,MCULE-8216863400,PC-id_9452336	427.606	JWADADQNSDVHFZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128464
C[C@H](C1CCCCC1)N/C/1=N/Cc2cc(sc2/C=CC/C=N1)C(=O)N1CCNCC1	SCHEMBL13591886	427.606	XEJBDKXCEGCESL-DGLAKCQUSA-N	00000000100010000111000000000010000000000000000000000000	31-01-128465
s1c2CCCN(CCCCN3CCN(CC3)c3ncccn3)C(=O)c2cc1CCC	PC-id_67755573	427.606	VLQKCAQQGJUYOH-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-128466
s1c(C(=O)N2CCNCC2)cc2C/N=C(/N[C@@H](C3CCCCC3)C)N=CCC=Cc12	PC-id_70947126	427.606	XEJBDKXCEGCESL-QGZVFWFLSA-N	00000000100010000111000000000010000000000000000000000000	31-01-128467
NC(=O)c1c(NC(=O)c2cc(Br)ccc2Cl)sc2c1CCCCC2	PC-id_20166076,ZINC22_32125412,GD-id_ZINC32125412	427.743	LJMUJSOSFSZTQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128468
Brc1c(Cl)c(OC2CCN(Cc3oc(cc23)C)CCN(C)C)ccc1	PC-id_68412010	427.763	IPRXUMANAAIVLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128469
Fc1ccc(Cl)cc1C(=O)N1CCc2nnc(CNC(=O)c3ccccc3)n2CC1	PC-id_42169454,ZINC22_11788866,MCULE-5063901817,EMOLS-id_232709446	427.859	BFMOQDVANSUQEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128470
OC([C@H]1COc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)Cl)F)C)C1CC1	SCHEMBL21337360,PC-id_139471362	427.878	HZRSSODFPPRFDI-XCYLXCFRSA-N	00100000100000110101000000000010000000000000000000000000	31-01-128471
Clc1c(Cn2cc(NC(=O)Cn3nc4n(CCCCC4)c3=O)ccc2=O)cccc1	PC-id_55804269	427.884	DRPZIQSFQOEVGC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-128472
Clc1c(CN2CCn3c(nnc3CCNC(=O)c3ccc(F)cc3)CC2)cccc1	PC-id_28732666	427.902	GXINKXZREJUZFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128473
Clc1ccc(cc1)NC(=O)c1nc2c(s1)CCN(CC2)C(=O)c1cnc(cn1)C	PC-id_97524660	427.907	KSHBWSAAUAQWRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128474
Clc1cccc(NC(=O)N2CCc3nc(sc3CC2)C(=O)Nc2cccnc2)c1	EMOLS-id_44303826,PC-id_97442453,ZINC22_96146929	427.907	HSQGNAIQSHTJCT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-128475
Clc1c(F)c(S(=O)(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1	PC-id_46452492	427.924	DDXMGEGGVXYSBB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128476
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccccc3Cl)CCn12	PC-id_45201201,MCULE-4497784925,EMOLS-id_20533821	427.927	NKRDJWULRSUHKF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-128477
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccccc1Cl)CC2	CoCoCo_1320077,CoCoCo_1320078,ZINC22_20910009	427.927	NKRDJWULRSUHKF-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-128478
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccccc1Cl)CC2	ZINC22_20910012,CoCoCo_1320080,CoCoCo_1320079	427.927	NKRDJWULRSUHKF-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-128479
Clc1cc2c(c(oc2cc1)C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)C	PC-id_46691769	427.927	DRZYODZXAWXQGE-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-128480
COc1cccc(CN2CCc3nc(C(=O)Nc4ccc(Cl)cc4)sc3CC2)c1	ZINC22_1203821140,EMOLS-id_313792828	427.947	NYIYGCCBUKSLAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128481
COc1cc(C[N@H+]2CCc3n(CC2)c(nn3)CCc2ccccc2)c(cc1OC)Cl	GD-id_ZINC11995687	427.947	XOSJRYKRLLRBIY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128482
Cc1c(cc(cc1)Cl)N1CC[NH+](CC1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135779726	427.95	WKNPBDZIXNXPTG-ZZEZOPTASA-O	00000000100010110101100000000010000000000000000000000000	31-01-128483
Clc1cc(c2occ(n2)C[NH+]2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1	PC-id_51946659	427.95	QFTYEJCXXBQVPZ-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-128484
Clc1cc(c2oc(nc2)C[NH+]2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1	PC-id_51946658	427.95	LZKDGHIOGMVZHJ-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-128485
Clc1cc(N2CC[NH+](CC2)CC(=O)C(=C2N3CCCCCC3=NN2)C#N)c(cc1)C	PC-id_78700651	427.95	QIWHGISEXMMLGA-UHFFFAOYSA-O	00000011000010110111100000000010000000000000000000000000	31-01-128486
Clc1cc(N2CC[NH+](CC2)CC(=O)/C(=C/N3CCCCCC3=NN2)/C#N)c(cc1)C	PC-id_8449705	427.95	QIWHGISEXMMLGA-RELWKKBWSA-O	00000011000010110111100000000010000000000000000000000000	31-01-128487
c1(sc2c(CCCCCC2)c1C(=O)OCC)NS(=O)(=O)c1ccc(cc1)Cl	SPECS-id_AK-968/15253405,ZINC22_673103,MCULE-2644641432,TIMTEC578315,EMOLS-id_4111994,CoCoCo_5824437,PC-id_1012237	427.965	YQVLLHXATWDAAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128488
Clc1ccc(/C=C/2CCCCc3c2[nH]nc3OC(=O)NC(C2CCCCC2)C)cc1	SCHEMBL300543,PC-id_66647551	427.967	PUWUORHIPBLAOP-XDJHFCHBSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128489
Clc1ccc(/C=C/2CCCCc3c2[nH]nc3OC(=O)N[C@H](C2CCCCC2)C)cc1	SCHEMBL300665,PC-id_66647627	427.967	PUWUORHIPBLAOP-DAMBIUFKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128490
c1(NC(=O)CCCNS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCCCC2)n1	EMOLS-id_323449408,MCULE-6077808609	427.969	KUQSHOGCXKDPAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128491
Clc1c(C(=O)Nc2sc3CCCCCc3n2)cc(S(=O)(=O)NC(C)C)cc1	PC-id_24611842	427.969	ISRZYRQTEHHDHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128492
Clc1c(C(=O)Nc2sc3CCCCCCc3n2)cc(S(=O)(=O)N(C)C)cc1	PC-id_56021462	427.969	ZQECCHNGLBGXRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128493
Clc1c(S(=O)(=O)NCCC(=O)Nc2sc3CCCCCCc3n2)cccc1	PC-id_56022104	427.969	BBYYFLXNTGWHGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128494
CCc1c(nn2c1OCCCC2)C(Cc1ccccc1)NSc1ccc(cc1)Cl	PC-id_143672845	427.99	OSZJOFIVVHHPTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128495
CC#CC(C1C=CC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682067	428.095	YASFXGXLZGEGSD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128496
CC#CC([C@@H]1C=CC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682029	428.095	YASFXGXLZGEGSD-BHWOMJMDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128497
CC#CC([C@H]1C=CC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682189	428.095	YASFXGXLZGEGSD-TZHYSIJRSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128498
CC1(CC=C(C=C1)S(=O)(=O)N2CCC3=C(C=CS3)C(C2C(=O)NO)CO)OC	PC-id_146880722	428.108	SSPMLHBMMMYUJO-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-128499
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)NC(CO3)(C)C(C#C)O)C#N	PC-id_155258000	428.115	BWALQZYNFXCUAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128500
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@](CO3)(C)[C@@H](C#C)O)C#N	PC-id_155258009	428.115	BWALQZYNFXCUAG-OXQOHEQNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128501
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)NC(CO3)(C)[C@@H](C#C)O)C#N	PC-id_155258015	428.115	BWALQZYNFXCUAG-QRIPLOBPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128502
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@](CO3)(C)[C@@H](C#C)O)C#N	PC-id_160803607	428.115	BWALQZYNFXCUAG-UZLBHIALSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128503
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@](CO3)(C)[C@H](C#C)O)C#N	PC-id_160803608	428.115	BWALQZYNFXCUAG-JXFKEZNVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128504
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@](CO3)(C)[C@H](C#C)O)C#N	PC-id_160803609	428.115	BWALQZYNFXCUAG-OXJNMPFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128505
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@](C)(C#C)O)C#N	PC-id_160061971	428.115	NYJJECOSAABKQZ-UZLBHIALSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128506
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@@](C)(C#C)O)C#N	PC-id_160061972	428.115	NYJJECOSAABKQZ-OXQOHEQNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128507
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@](C)(C#C)O)C#N	PC-id_160061973	428.115	NYJJECOSAABKQZ-JXFKEZNVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128508
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@@](C)(C#C)O)C#N	PC-id_160061974	428.115	NYJJECOSAABKQZ-OXJNMPFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128509
CC#CC(C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)C)C#N)O	PC-id_160166616	428.115	ZXAAHLDEXMYUNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128510
CC#C[C@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)C)C#N)O	PC-id_160662545	428.115	ZXAAHLDEXMYUNC-HZPDHXFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128511
CC#C[C@@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)C)C#N)O	PC-id_161849425	428.115	ZXAAHLDEXMYUNC-CVEARBPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128512
CC1=C(C=C(C=C1)NC(=O)C2=C3CCC(NS(=O)(=O)C3=CN2C)C(CC=C)O)C#N	PC-id_160218436	428.152	KDPAQQXNRHMHGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128513
CC1=C(C=C(C=C1)NC(=O)C2=C3CCC(NS(=O)(=O)C3=CN2C)C(C)(C=C)O)C#N	PC-id_160218437	428.152	SXAYUPYTZYUOBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128514
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)NC(CO3)C(C)(C)C=C)C#N	PC-id_161923329	428.152	XQPVQALFDSRDTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128515
CC(C)C(C(=O)CC1CC2=NN=C(O2)CNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_161286011	428.17	VFSNNPKCRRATRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128516
Brc1c(C(=O)c2sc3CCCCCc3c2)cc(Br)c(c1)C	PC-id_81474125	428.181	PRSGUVRHMXDYDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128517
Ic1ccc(Cn2oc3c(CCN(CC3)C(=O)OC)c2=O)cc1	PC-id_71562801	428.222	FMIVXNYEAWICSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128518
Ic1ccc(COc2noc3CCN(CCc23)C(=O)OC)cc1	PC-id_71562921	428.222	QMQAQLMDPWCSSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128519
Ic1cc(Cn2oc3c(CCN(CC3)C(=O)OC)c2=O)ccc1	PC-id_71562800	428.222	MGFDAFYUJQSKAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128520
Ic1cc(COc2noc3CCN(CCc23)C(=O)OC)ccc1	PC-id_71562920	428.222	FRTLSSOPBYKPIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128521
Ic1c(Cn2oc3c(CCN(CC3)C(=O)OC)c2=O)cccc1	PC-id_71562799	428.222	YBFHBVRSZBNFBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128522
Ic1c(COc2noc3CCN(CCc23)C(=O)OC)cccc1	PC-id_71562919	428.222	DKFRSQJLIZJSAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128523
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=C(N=CC(=C3)C)C	PC-id_155203596	428.242	QZUNPAIITXVOMN-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-128525
Ic1c(C(=O)NCCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_52588999	428.243	OTJMUEAWAMYKDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128526
Brc1c([nH]nc1[N+](=O)[O-])C(=O)Nc1sc2c(CCCCC2)c1C(=O)N	MCULE-7196780964,PC-id_17368391,SPECS-id_AN-153/I144455	428.261	AKVARLSUJOSMTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-128527
Ic1cc(NC(=O)CSc2n3CCCCCc3nn2)ccc1	PC-id_29517444	428.291	KLWUEXCZMMUXKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128528
Ic1scc(C(=O)Nc2sc3CCCCCc3c2C#N)c1	PC-id_78949672	428.311	LEIRJQKKTNCENQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-128529
Brc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)N)C(=O)Nc2cc1	PC-id_72651856	428.322	SSRFUUCARZYISS-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-128530
Brc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCC(=O)N)/C(=O)Nc2cc1	SCHEMBL6701692,PC-id_60113773	428.322	SSRFUUCARZYISS-WJDWOHSUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-128531
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_4112186,ZINC22_8430691,MCULE-3484430362,CoCoCo_5817402,TIMTEC69193,PC-id_4102698,SPECS-id_AK-968/12117441	428.329	BAZRRFRPCSIXJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128532
Clc1c(OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc(Cl)cc1	PC-id_4368488	428.329	IUFSQGCTRWUWHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128533
[B]c1c2c(ccc1)NC(=O)C2=Cc1c(c2c([nH]1)CCCN(C2=O)CCN1CCCCC1)C	PC-id_89099153	428.334	LPPXCLGLZWVQCF-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-128534
[B]c1cc2c(cc1)NC(=O)C2=Cc1c(c2c([nH]1)CCCN(C2=O)CCN1CCCCC1)C	PC-id_89099146	428.334	MQOFTAGOZZODQX-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-128535
FC(C1=C2C(=CC=C(C1)OC1=c3[nH]ncc3=CC=CC1)S(=O)C(C2O)(F)F)P	SCHEMBL21037681,PC-id_138667449	428.365	OSFHSARAVQTIOB-UHFFFAOYSA-N	00000010100000000111000000000110000000000000000000000000	31-01-128536
Brc1sc(C(=O)NCC(=O)Nc2sc3CCCCCCc3n2)cc1	PC-id_56021597	428.367	KNAAUTMVFVKSTN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-128537
CN1CCCn2c(C1)c(CC(=O)N[C@@H](C(C)(C)C)C(=O)N(C)C)nc2Br	PC-id_140172257	428.367	FNYQVYPOWQNCRS-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-128538
CCC1=C=c2onc(c2=CC=C1OCCCC(=O)NC(C(=O)O)C(C)C)C(F)(F)F	PC-id_142247381	428.402	JZVMOMZEFJQWQO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-128539
FC(F)(F)c1ccc(OCC(O)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56065004	428.406	ZHAUVMAWXBLRQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128540
FC(F)(F)c1cc(OCC(O)CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56090539	428.406	IAKOMDWAPYQEPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128541
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1n(ncc1C#N)c1ccccc1	PC-id_19523807	428.41	JYNWTHJMKKBVNO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128542
COc1ccc(NC(=O)C2CCCCc3nn(Cc4cccc(F)c4)c(=O)n23)cc1F	MCULE-3679614694,EMOLS-id_207869514	428.432	MPLXOYGPXZDCRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128543
O(Cn1c2NC(=O)CC(=C(O)c2c(c1)C(=O)OCC)C(=O)OCC)Cc1ccccc1	PC-id_54689133	428.435	IJSHDGRIELKEFD-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-128544
O(Cn1c2NC(=O)CC(C(=O)c2c(c1)C(=O)OCC)C(=O)OCC)Cc1ccccc1	PC-id_561361	428.435	LUJUIZYDRMSMRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128545
O=C(NC(C(=O)NC1Cc2cnc(o2)CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731467,SCHEMBL21110659	428.438	AGTGICRHDLNEDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128546
O=C(NC(C(=O)NC1Cc2cnoc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109358,PC-id_138730207	428.438	ZQHJQSHJGHHIDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128547
O=C(NC(C(=O)NC1Cc2ncc(o2)CNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109814,PC-id_138730659	428.438	UTOKFFYORORZHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128548
O=C(NC(C(=O)NC1Cc2ocnc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109133,PC-id_138729984	428.438	SNWVPJNJYKGTMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128549
O=C(NC(C(=O)NC1Cc2oncc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731452,SCHEMBL21110644	428.438	VOIDNIYAKNAVAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128550
o1c2c(n(CCCC(=O)NCCc3n4CCCCCc4nn3)c1=O)ccc([N+](=O)[O-])c2	PC-id_55536191	428.442	XDSREQVZHJSGNK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128551
O=C(NC(C(=O)NC1Cn2cnnc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731068,SCHEMBL21110226	428.442	KOYHONVMWRQPFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128552
O=C(NC(C(=O)NC1Cn2ncnc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730944,SCHEMBL21110102	428.442	ZFWBQTAKFPOKND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128553
COc1ccc(CN(C)C2CCc3nn(C)c(=O)n3CC2)cc1COCC(F)(F)F	MCULE-6063745839,EMOLS-id_97041721	428.449	LMFYTBRLKQTIHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128554
N#Cc1c(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)sc2c1CCCCC2	PC-id_71898396,ZINC22_84388137,EMOLS-id_44524880,MCULE-5493111140	428.449	IRHXAWUGKYAXPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128555
C1CCc2c(CC1)sc(c2C#N)NC(=O)CSc1nc(cc(=O)[nH]1)C(F)(F)F	PC-id_136797525	428.452	GWWKSXLOQKTPQL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-128556
Fc1ccc(c(c1)C(=O)N[C@H](c1nnc2n1CC[N@H+](CC2)Cc1ccccc1O)C)F	GD-id_ZINC11783093,PC-id_42163091	428.455	OWTXFOCBTCBOEY-AWEZNQCLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128557
Fc1cc(C[NH+]2CCn3c(nnc3CNC(=O)COc3ccccc3)CC2)cc(F)c1	PC-id_42367928	428.455	WNABBSKKGWBREQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128558
Fc1c(C[NH+]2CCn3c(nnc3CNC(=O)c3cc(F)ccc3)CC2)cc(OC)cc1	PC-id_42236551	428.455	CZTKDXOWGMOFMJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128559
Fc1c(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2ccc(OC)cc2)c(F)ccc1	PC-id_42192133	428.455	WASWVGQVHMDEHR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128560
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2c(O)cccc2)C)cc(F)cc1	PC-id_74779894	428.455	OWTXFOCBTCBOEY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128561
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2c(O)cccc2)C)cc(F)cc1	PC-id_42163089	428.455	OWTXFOCBTCBOEY-CQSZACIVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128562
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3CNC(=O)c3cc(F)ccc3)CC2)cc1	PC-id_42321759	428.455	ATHNZHYRFMXYCE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128563
FC(F)(F)c1nnc2ccc(SCC(=O)Nc3nc4CCCCCc4s3)nn12	MCULE-1313686975,EMOLS-id_323440006	428.455	CIPKMGUTJGJZKS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128564
Cc1c(cc(cc1)NC(=O)Nc1cc(ccc1)F)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478346	428.458	HCAGNRXSRYTFLL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-128565
O=C(Nc1cccc(c1)F)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077363	428.458	HCAGNRXSRYTFLL-JVWAILMASA-N	00000010100000110110000000000010000000000000000000000000	31-01-128566
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1c2ncoc2ccc1)C(=O)OC	PC-id_23971685	428.458	ZJSVBKFQSQEWKK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128567
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc2ncoc2cc1)C(=O)OC	PC-id_23943686	428.458	CGRBZMZUGZMCGE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128568
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc2ocnc2cc1)C(=O)OC	PC-id_23773607	428.458	HYJJVUYIZFIHTP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128569
c12c(cccc1C(=O)N(CCCC(=O)Nc1sc3c(CCCCC3)n1)C2=O)N(=O)=O	EMOLS-id_334603388,MCULE-1265608953	428.462	SFJRNMCGIJJNMC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128570
N1(CCCC(=O)Nc2sc3c(CCCCC3)n2)C(=O)c2c(cc(cc2)N(=O)=O)C1=O	EMOLS-id_334604412,MCULE-6335440733	428.462	IPNVFNRWSQRCOI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128571
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(NC)ccc([N+](=O)[O-])c1)C#N	PC-id_41426069	428.462	BOTYDBFRTOGZQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128572
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(N)cc([N+](=O)[O-])cc1)C)C#N	PC-id_55420650	428.462	ZLQJVBXEISLHOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128573
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc(c2cc([N+](=O)[O-])c(cc2)C)c1	PC-id_55561533	428.465	SZBFVETYHZNTMI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128574
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N	PC-id_55334175	428.473	CBZQDMGUBFAPEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128575
Fc1ccc(cc1)OCc1ccc(o1)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_5039654,CoCoCo_6256038	428.477	KZRJWWLUZSANNQ-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-128576
N#Cc1c(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)sc2c1CCCCC2	ZINC22_15910252,EMOLS-id_43726178,MCULE-1849635969,CoCoCo_2930957,PC-id_4663245	428.477	HECWKAGAOLMPJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128577
s1c2CCCCCc2c(c1NC(=O)CCC(=O)OCC(=O)c1ccc(F)cc1)C#N	PC-id_19059653	428.477	NMJJZJVHZASJST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128578
COc1ccccc2-c1c(C)cc2S(=O)(=O)NCCc1ccc(cc1)OCC(=O)[O-]	GD-id_ZINC13826255	428.478	AFXSVCGKHDCNTF-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-128579
c1(NC(=O)c2ccn(COc3ccccc3F)n2)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_4112444,MCULE-4075705039,GD-id_ZINC02798272,ZINC22_2798272,PC-id_4862863	428.48	HTEJTTGRRLTPDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128580
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(cc3F)OC)n2)/sc2c(CCCCC2)[nH]1	STOCK7S-11533,EMOLS-id_46562062,ZINC22_61717507,MCULE-1627443987,EMOLS-id_35782536,PC-id_52897502	428.48	FGEQMCPSDPTYSL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128581
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(cc3OC)F)n2)/sc2c(CCCCC2)[nH]1	MCULE-8320980366,EMOLS-id_35782751,PC-id_52897649,EMOLS-id_46561148,ZINC22_61717625,STOCK7S-11658	428.48	JBIBZCVPUWQIHL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128582
OCc1ccc(o1)C[N@H+]1CCn2c(CC1)nnc2CCNC(=O)Cc1ccc(cc1)F	GD-id_ZINC12035979	428.48	XEMXMHYSBRHACG-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-128583
COC(=O)c1cc(c2-c1ccccc2)C(=C1C=Nc2c1cccc2)c1c[nH]c2c1cccc2	PC-id_101264190	428.481	JXBHSFTZHABUID-UHFFFAOYSA-N	00000011100000100110000001101010000000000000000000000000	31-01-128584
c1(sc(nc1C)C)C(=O)N1CCn2c(CC1)nnc2CNC(=O)c1cccc(F)c1	MCULE-3048264521,CoCoCo_1198109,PC-id_42340014,ZINC22_11995293,ChEMBL-DNDi_CHEMBL18740296,EMOLS-id_20448459	428.483	FISGUGGBSHTBID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128585
COc1cc(ccc1OC(=O)c1ccc(cc1)C)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3720156,PC-id_5813437	428.483	MYNURCNZRZAWRT-XSFVSMFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128586
COc1cc(ccc1OC(=O)c1ccc(cc1)C)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3720157,PC-id_75363102	428.483	MYNURCNZRZAWRT-ZHZULCJRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128587
COc1cc(ccc1OC(=O)c1ccc(cc1)C)C=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_44489443,MCULE-4346849443,PC-id_3394380	428.483	MYNURCNZRZAWRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128588
COc1cc(ccc1OC(=O)Cc1ccccc1)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3735234	428.483	KFMALNOOVQNEQT-ZHZULCJRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128589
COc1cc(ccc1OC(=O)Cc1ccccc1)/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_5888027,CoCoCo_3735233,GD-id_ZINC09090548	428.483	KFMALNOOVQNEQT-XSFVSMFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128590
O(c1c(/C=C(/c2n3CCCCCc3nn2)C#N)cccc1)Cc1ccc(cc1)C(=O)OC	PC-id_27115432	428.483	VNLHAIZBEIYNTH-RCCKNPSSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128591
O(c1c(C=C(c2n3CCCCCc3nn2)C#N)cccc1)Cc1ccc(cc1)C(=O)OC	PC-id_74519841	428.483	VNLHAIZBEIYNTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128592
O(c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)Cc1ccc(cc1)C(=O)OC	PC-id_35636111	428.483	HFVPKYQJARWDFN-RCCKNPSSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128593
O(c1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1)Cc1ccc(cc1)C(=O)OC	PC-id_74642829	428.483	HFVPKYQJARWDFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128594
O(c1c(OC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1)C(=O)Cc1ccccc1	PC-id_3659000	428.483	KFMALNOOVQNEQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128595
C1CN(CCC1NC(=O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])Cc1ccccc1	SCHEMBL14965807,PC-id_89580187	428.485	YTFLSNGZZIECDO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128596
CCC1N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](c2oc1nn2)C)Cc1ccccc1	PC-id_122164885,SCHEMBL18652903	428.485	BTHOIQFNMFPYKC-KVROMUSXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128597
O=C(N[C@@H](c1ccccc1)C)Nc1ncc(c(c1)N)C(=N)C1=Cc2oc(nc2CC=C1)C	PC-id_145569490	428.486	HLLNUTYUJMJLJN-CQSZACIVSA-N	00000000100000111111000000000010000000000000000000000000	31-01-128598
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1sccc1n1nnnc1)C#N	PC-id_46428040	428.488	VTNCYBWJJRSOIQ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-128599
CSc1ccc(cc1)NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(F)(F)F	PC-id_87627382,SCHEMBL4148960	428.492	RVRZCYKNHSCLKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128600
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(F)(F)F)C(=O)OC	PC-id_20166282	428.492	ALNGCJBUDQKCLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128601
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cccc1)C(F)(F)F)C(=O)OC	PC-id_20412015	428.492	DCMPTPLAUCJCQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128602
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_20412051	428.492	AIIRIACAGWSNDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128603
CCCn1c(CN2C=CNC2c2cccc(c2)C(F)(F)F)nc2=CCC(=CC=c12)CC	PC-id_142149609	428.493	NAMRHBFPUQGHEP-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-128604
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(OC)c(OC)cc1F	PC-id_33808354	428.498	ZGVUFPRWCPCFQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128605
Fc1ccc(C(=O)N2CCN(CCCN3CCC(O)c4n(ccc4C3=O)C)CC2)cc1	PC-id_59096113	428.5	GSCAXPMGNYJEJO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128606
Fc1ccc(OC2CCN(CC2)CCCN2CC/C(=N/O)/c3c(n(cc3)C)C2=O)cc1	PC-id_20083205,SCHEMBL6992355	428.5	IMRMWNPKNJRGCQ-DAFNUICNSA-N	00000000100010110100000000000010000000000000000000000000	31-01-128607
Fc1ccc(OC2CCN(CC2)CCCN2CCC(N=O)c3c(n(cc3)C)C2=O)cc1	PC-id_54539584	428.5	ZCEUYFZNJPRHLN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-128608
Fc1ccc(OC2CCN(CC2)CCCN2CCC(=NO)c3c(n(cc3)C)C2=O)cc1	PC-id_73658801	428.5	IMRMWNPKNJRGCQ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-128609
O=Cc1cnc2n1CCC(N=C2N(C(=O)OC(C)(C)C)C1CC1)C/C=CC=C(/C=C)F	SCHEMBL19527145	428.5	VEXQKTIJBANAIX-VZNCOVNJSA-N	00100000100000000111000000000010000000000000000000000000	31-01-128610
c1(NC(=O)c2ccc(Cc3c(C)noc3C)o2)sc2c(CCCCC2)c1C(=O)OC	ZINC22_13641020,EMOLS-id_8864860,MCULE-4571481757,PC-id_19589633,TIMTEC88126	428.501	BVVPPRQCLITEAL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-128611
OC(=O)CCc1c(/C=C/2C(=O)Nc3c2cc(cc3)S(=O)(=O)C)[nH]c2c1CCCCC2	PC-id_60113762,SCHEMBL6692783	428.501	WADCDYHLBKBSMH-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-128612
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)C	PC-id_3711118	428.501	YLBPDTLERGLQSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128613
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)OCCC	PC-id_4084328	428.501	ITSWDVCYEXXCBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128614
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)C	PC-id_5901410	428.501	YLBPDTLERGLQSP-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128615
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCC	PC-id_6005906	428.501	ITSWDVCYEXXCBN-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128616
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C(=O)OCCC	PC-id_4278025	428.501	AWADDINSKKHAJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128617
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C(=O)OC(C)C	PC-id_4321649	428.501	ZBQLPZFBOQKCTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128618
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C(=O)OCCC	PC-id_6056474	428.501	AWADDINSKKHAJK-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128619
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C(=O)OC(C)C	PC-id_6068805	428.501	ZBQLPZFBOQKCTA-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128620
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(OCC)c(OC)cc1)C#N	PC-id_24370263	428.501	NRNGMNKEHBUJGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128622
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(OC)c(OCC)cc1)C#N	PC-id_41278867	428.501	VOQQWIOHCSKAFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128623
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(OC)ccc(OC)c1)C)C#N	PC-id_55421290	428.501	XXCPDBSUGWZEPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128624
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(OC)cc(OC)cc1)C)C#N	PC-id_55417611	428.501	HGYYFWSBIWSYKS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128625
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1cc(OC)c(OC)cc1)C#N	PC-id_42015118	428.501	XJXSVBTWFRZEDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128626
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1c(OC)cc(OC)cc1)C#N	PC-id_29622304	428.501	GVUHOKQJXBWRFD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128627
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1ccc(OCC)cc1)C#N	PC-id_45643211	428.501	HIGANCQVNSZMNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128628
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_5141178	428.501	YVUUUSYRIVSMRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128629
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_6282532	428.501	YVUUUSYRIVSMRL-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128630
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_3351043	428.501	YPASOIVKZGWWSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128631
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_5800820	428.501	YPASOIVKZGWWSI-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128632
S(=O)(=O)(c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)O)C(=O)Nc2cc1)C	PC-id_72651847	428.501	WADCDYHLBKBSMH-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-128633
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCN(CC1)C)c2)Cc1ccc(cc1)F	MCULE-8626528351,PC-id_53007951,EMOLS-id_32632872	428.503	RXFOOEKOTDBDJM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128634
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCN(CC1)C)c2)Cc1cccc(F)c1	EMOLS-id_32633034,MCULE-5628678659,PC-id_53007968	428.503	INQKIDMBRWUIBH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128635
Fc1cc(CC(=O)NCC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1	PC-id_46492674	428.503	GDWKSJHNTOMTEK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128636
Fc1c(N2CCN(CC2)C(=O)NCCc2n3CCCCCc3nn2)ccc(c1)C(=O)C	PC-id_52575290	428.503	ANMWWABLGQRYCL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128637
c1(NC(=O)c2ccc(c(N(=O)=O)c2)N2CCCC2)sc2c(CCCCC2)c1C(=O)N	ZINC22_8997240,EMOLS-id_1809987,STOCK5S-75172,CoCoCo_569713,MCULE-3208190903,PC-id_2980786	428.505	PLHSHBCEDURTMX-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-128638
c1(NC(=O)CCc2onc(c3ccc(c(OC)c3)OC)n2)sc2c(CCCCC2)n1	MCULE-7605136749,EMOLS-id_323257517	428.505	XMRVVVQAFPWFMT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128639
c1(NC(=O)C(=O)NN=C(C)c2ccncc2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3920248,MCULE-3109720323	428.505	CBRAIMVCBIZZTL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-128640
CCOC(=O)c1c(NC(=O)C(=O)N/N=C(/c2ccncc2)C)sc2c1CCCCC2	PC-id_9640895,EMOLS-id_26355204,STOCK4S-97488	428.505	CBRAIMVCBIZZTL-ZMOGYAJESA-N	00000000100000101100000000000010000000000000000000000000	31-01-128641
CC(=O)Nc1cc(NC(=O)C)cc(c1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-8394854361,EMOLS-id_24980333,PC-id_40058410,CoCoCo_4293652	428.505	MVHGUIAREYRTNX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128642
CN(NC(=O)c1c(NC(=O)C=Cc2cccc(c2)[N+](=O)[O-])sc2c1CCCCC2)C	PC-id_92046520	428.505	UYGMBSMCACLSGN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128643
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COc1ccc(CN2C(=O)NC(CC(=O)/N=c/3[nH]c4CCCCCc4s3)C2=O)cc1	EMOLS-id_49403150,EMOLS-id_50401468,PC-id_71702451,MCULE-2348387861	428.505	ZSVSBLJBBDCMOU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128646
COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc4c(s3)CCCCC4)C2=O)cc1	PC-id_97264078,ZINC22_95473841	428.505	ZSVSBLJBBDCMOU-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128647
o1nc(nc1C[NH+](Cc1n[nH]c2c1CCCCC2)C)c1c(OC)c(OC)c(OC)cc1	PC-id_42595715	428.505	YCXPSEXVCAQEET-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-128648
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(n2[nH]c(=O)cc2nc1C)C)C(=O)OC	PC-id_56576961	428.505	CNAKLMHUJRRKJQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128649
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)N(C2CCCCC2)C(=O)C1=O)C#N	PC-id_39042270	428.505	BJNPLQGFUODDBC-UHFFFAOYSA-N	00000010100010000101100000000010000000000000000000000000	31-01-128650
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1nn(CCCC)c(=O)cc1)C#N	PC-id_30472859	428.505	XNRVBLWLEPUXIN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-128651
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(c1ccncc1)/C)C(=O)OCC	PC-id_5957786	428.505	CBRAIMVCBIZZTL-CFRMEGHHSA-N	00000000100000101100000000000010000000000000000000000000	31-01-128652
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CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O	PC-id_40875512,ZINC22_8922958,CoCoCo_4054373	428.508	MAXCYNYYCPOYTK-FQEVSTJZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-128655
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O	ZINC22_8922967,PC-id_40875518,CoCoCo_4054372	428.508	MAXCYNYYCPOYTK-HXUWFJFHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-128656
CCC1(NC(=O)N(C1=O)NC(=O)CSc1nnc2n1CCCCC2)c1ccccc1	PC-id_17553863,MCULE-6190344027,EMOLS-id_11967558	428.508	MAXCYNYYCPOYTK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-128657
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s1cc(nc1NC(=O)c1c(occ1)C)CC(=O)NCCc1n2CCCCCc2nn1	PC-id_55790767	428.508	JMTAKQWXJPWPLF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-128659
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COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C#Cc1ccc(cc1)C#Cc1ccccc1	PC-id_102579715	428.521	ASMCMRYUPQDVFD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-128661
Cc1c(ccc(c1)c1nn(c(c1)COC)CC(=O)N1CCc2c(CC1)sc(n2)C)F	PC-id_89607809,SCHEMBL15001880	428.523	RMPWRPQVPZZQPP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128662
CCc1cc(nn1CC(=O)N1CCc2c(CC1)sc(n2)OC)c1cc(c(cc1)F)C	SCHEMBL15001877,PC-id_89607806	428.523	NNMCVNNIMPBAHL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128663
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC(=O)Nc1cccc(F)c1	CoCoCo_4227117,ZINC22_12819743,PC-id_25534962,CoCoCo_4227118	428.523	QMIPMKDXUIDWFW-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128664
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC(=O)Nc1cccc(F)c1	CoCoCo_4227120,ZINC22_12819738,PC-id_25534959,CoCoCo_4227119	428.523	QMIPMKDXUIDWFW-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128665
CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)Nc1ccc(F)cc1	CoCoCo_3589061,CoCoCo_3589060,MCULE-9698613831,PC-id_25692047,ZINC22_13057322,EMOLS-id_24163798	428.523	YYWKWGWSYZSKOP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128666
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OC(c1ccc(/N=N/c2c3-c(c(c2)C)ccccc3)cc1)(c1ccccc1)c1ccccc1	PC-id_10741194	428.524	JIDHOLWYWQGGQM-QNEJGDQOSA-N	00000010100000110110000000000010000000000000000000000000	31-01-128670
c1(C(=O)N2CCN(CC2)Cc2ccc(c(OC)c2OC)OC)c2CCCCCc2n[nH]1	EMOLS-id_50403080,MCULE-8284792341,ZINC22_96231985,STOCK7S-47233,EMOLS-id_49248898,PC-id_75490279	428.525	QKDSLOXRIYDBPJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128671
c1(C(=O)Nc2c(OCC)cc(c(OCC)c2)N2CCOCC2)c2CCCCCc2[nH]n1	MCULE-9439333388,EMOLS-id_335129268	428.525	CBFNUNILQIXGBO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128672
COCC1CCN(CC1)C(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	MCULE-3868122251,EMOLS-id_207876707	428.525	GFQURKDSNGDJLE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128673
COC(=O)c1c(NC(=O)c2ccc(cc2)Oc2nccs2)sc2c1CCCCC2	PC-id_92072691	428.525	NIWUWZKJZUOKOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128674
O1CCC(CC1)(CNC(=O)Cn1nc2n(CCCCC2)c1=O)c1ccc(OCC)cc1	PC-id_56027426	428.525	RCUJFPOWNJMRPC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128675
O1CCC(CC1)(CNC(=O)Cn1nc2n(CCCCC2)c1=O)c1c(OC)ccc(c1)C	PC-id_56044957	428.525	PMKJOZYRKSPIRP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128676
O(C1CCCC1)c1c(OC)cc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)C)cc1	PC-id_55745893	428.525	ICLYYJUNSMRPQH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128677
Cc1c(ccc(c1)c1nn(c(n1)C(C)C)CC(=O)N1CCc2c(CC1)sc(n2)N)F	PC-id_89623250,SCHEMBL15024519	428.526	DLQCXGMZNDGNLJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128678
CCCc1nc(nn1CC(=O)N1CCc2c(CC1)nc(s2)N)c1ccc(c(c1)C)F	SCHEMBL15024518,PC-id_89623249	428.526	YFDXMOLZSWQVEQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128679
OCc1nccc(c1)Nc1ccc(c(c1)C)NCCc1c[nH]c2c1C=CC#CC2C(O)C	PC-id_144034818	428.526	SVQVZAZVEIGGRZ-UHFFFAOYSA-N	00000000100000111110000000000010000000000000000000000000	31-01-128680
COc1cccc(CN2CCc3nnc(CNC(=O)C4CCCN(C)C4)n3CC2)c1O	PC-id_45214707,MCULE-1125171084,EMOLS-id_20592107	428.528	RIVHOHIWBDOKJQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128681
COc1cccc(CN2CCc3nnc(CNC(=O)[C@H]4CCCN(C)C4)n3CC2)c1O	CoCoCo_1406506,ZINC22_15000682,CoCoCo_1406508,CoCoCo_1406507,CoCoCo_1406505	428.528	RIVHOHIWBDOKJQ-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128682
COc1cccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCCN(C)C4)n3CC2)c1O	CoCoCo_1406510,CoCoCo_1406509,ZINC22_15000678,CoCoCo_1406512,CoCoCo_1406511	428.528	RIVHOHIWBDOKJQ-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128683
N#Cc1c(NC(=O)[C@@H](Sc2nnc(o2)c2ccoc2C)C)sc2c1CCCCC2	CoCoCo_4173858,PC-id_41142582	428.528	TYWRQIRJJPPZHJ-LBPRGKRZSA-N	00000000101000000101100000000010000000000000000000000000	31-01-128684
N#Cc1c(NC(=O)[C@H](Sc2nnc(o2)c2ccoc2C)C)sc2c1CCCCC2	PC-id_41142583,CoCoCo_4173857	428.528	TYWRQIRJJPPZHJ-GFCCVEGCSA-N	00000000101000000101100000000010000000000000000000000000	31-01-128685
N#Cc1c(NC(=O)C(Sc2nnc(o2)c2ccoc2C)C)sc2c1CCCCC2	PC-id_16350613,MCULE-5316980567,EMOLS-id_11795591	428.528	TYWRQIRJJPPZHJ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-128686
O1CCN(CCCN(C(=O)Cn2nc3n(CCCCC3)c2=O)Cc2ccncc2)CC1	PC-id_56564184	428.528	UUPPNLLMQPHWCE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-128687
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2c(s1)CCCCC2	MCULE-5167332933,GD-id_ZINC08720262,ZINC22_8720262,CoCoCo_3239703,PC-id_16608865,EMOLS-id_11978192	428.528	OQPXFHUCXXRYLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128688
s1c2CCCCCc2c(c1NC(=O)Cn1c2c(nc1S(=O)(=O)C)cccc2)C#N	PC-id_30835322	428.528	VGKVRWVKBQETIK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128689
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccsc1)C)C#N	PC-id_60617668	428.528	WCLUFUDUYNJYPV-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-128690
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1sccc1)C)C#N	PC-id_55478331	428.528	AUQFSFLJZSYJJX-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-128691
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cc4ccccc4[nH]3)CCn12	ZINC22_12027197,CoCoCo_1358915,CoCoCo_1358916,MCULE-5383659019,EMOLS-id_20560321,PC-id_42360733	428.529	ZVYUQCQBUSRIET-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-128692
COc1ccccc1n1cc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cn1	CoCoCo_1421474,MCULE-2826072766,ZINC22_19300692,PC-id_28133879,EMOLS-id_20602217,CoCoCo_1421473	428.529	NCFCQCRERGNBKE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128693
s1c2CCCCCc2c(c1NC(=O)CSc1n(N)c(nn1)c1c(occ1)C)C#N	PC-id_29338287	428.531	ODFRSPQICIVXCV-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-128694
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(nnn1)Cc1occc1)C)C#N	PC-id_24601583	428.531	MSXQQPRHQYMICV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-128695
CCn1cc(c2c1C(O)CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)F)C	PC-id_22737940,SCHEMBL6775127	428.543	UUDTXBIYRIAGQH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128696
CCOC1CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccc(cc1)F	PC-id_22738063,SCHEMBL6775252	428.543	PFZYMBAMENWCQU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128697
COC1CCN(C(=O)c2c1cn(c2)CC)CCCN1CCN(CC1)c1ccc(cc1)F	SCHEMBL6780535,PC-id_22737962	428.543	PGZFIEZOCCXCLJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128698
COC1CCN(C(=O)c2c1n(C)cc2)CCCCN1CCN(CC1)c1ccc(cc1)F	PC-id_22738011,SCHEMBL6775985	428.543	KWQWDBNTBRAIDR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128699
COC1CCN(C(=O)c2c1n(C)cc2C)CCCN1CCN(CC1)c1ccc(cc1)F	SCHEMBL6775060,PC-id_22737970	428.543	AEAPJWPVQWDLNR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128700
COC1CCN(C(=O)c2c1n(CC)cc2)CCCN1CCN(CC1)c1ccc(cc1)F	SCHEMBL6775436,PC-id_22738041	428.543	BDULQAKMBKVMOL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128701
Fc1ccccc1COC1CC2CCC(C1)N2CCCn1nc2n(c1=O)CCCCC2	PC-id_57927224,SCHEMBL12012325	428.543	CIAUVOIYZIIOHC-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-128702
c1(c2CCCCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)Nc1ccccc1C	PC-id_17376999,TIMTEC90108,MCULE-9835973340,EMOLS-id_4112892	428.544	BYDBLDFVEUDOAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128703
c1(c2CCCCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)Nc1cccc(C)c1	MCULE-8258006691,PC-id_17377008,EMOLS-id_4112932,TIMTEC446751	428.544	SGBDSVMMIIJKPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128704
c1(NC(=O)c2cc(c(OCC)c(OCC)c2)OCC)sc2c(CCCCC2)c1C#N	CoCoCo_1739666,TIMTEC311509,EMOLS-id_4112880,ChEMBL-DNDi_CHEMBLF0834-0552,MCULE-1149831020,PC-id_4686700,ZINC22_2739065	428.544	MLGUVBBCZOZULH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128705
Cc1ccccc1NC(=O)c1c(NC(=O)C[C@H](C)CC(=O)O)sc2c1CCCCC2	CoCoCo_6832077,ZINC22_17096034,PC-id_27526498	428.544	BYDBLDFVEUDOAN-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128706
Cc1ccccc1NC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)O)sc2c1CCCCC2	PC-id_27526496,ZINC22_17096033,CoCoCo_6832078	428.544	BYDBLDFVEUDOAN-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128707
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCCC2	CoCoCo_2861452,ZINC22_23564856,PC-id_31208202	428.544	BXZXXOAJMLGPSE-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128708
Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCCCC2	ZINC22_23564852,CoCoCo_2861453,PC-id_31208199	428.544	BXZXXOAJMLGPSE-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128709
Cc1cccc(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)O)sc3c2CCCCC3)c1	PC-id_27526555,ZINC22_17096076,CoCoCo_6831794	428.544	SGBDSVMMIIJKPH-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128710
Cc1cccc(NC(=O)c2c(NC(=O)C[C@H](C)CC(=O)O)sc3c2CCCCC3)c1	ZINC22_17096077,CoCoCo_6831793,PC-id_27526557	428.544	SGBDSVMMIIJKPH-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128711
C=CCc1ccc(c(c1)OC)O[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCCCC2)C	PC-id_92917316	428.544	QNVUCKVFFGYTRZ-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128712
C=CCc1ccc(c(c1)OC)O[C@@H](C(=O)Nc1sc2c(c1C(=O)N)CCCCC2)C	PC-id_92917318	428.544	QNVUCKVFFGYTRZ-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128713
COc1ccc(N2CCN(C(=O)COC(=O)c3cc4c(s3)CCCCC4)CC2)cc1	EMOLS-id_43413608,CoCoCo_2861410,ZINC22_3555634,MCULE-4883514257,PC-id_2672873	428.544	FCVCWJDRQNKDNK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128714
OCCCc1c(/C=C/2C(=O)Nc3c2cc(cc3)S(=O)(=O)CC)[nH]c2c1CCCCC2	PC-id_60113770,SCHEMBL6692331	428.544	WSARTSAOYJNYCE-RGEXLXHISA-N	00000010100000100100000000001010000000000000000000000000	31-01-128715
O=C(Nc1c(C)cccc1C)CNC(=O)C(OC(=O)c1cc2c(s1)CCCCC2)C	MCULE-5386677568,PC-id_42899188,EMOLS-id_24962721	428.544	BXZXXOAJMLGPSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128716
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(CN2CCOCC2)cc1	PC-id_55475874	428.544	JFBKXJDGYKWZBS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128717
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1	PC-id_29405137	428.544	HIFFWWNEYZYJQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128718
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1ccc(N2CCOCC2)cc1)C	PC-id_45647900	428.544	IQCNIYLTFZXHOI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128719
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC(=O)Nc1c(cc(cc1C)C)C	PC-id_16509368	428.544	USACKNIZUOUDQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128720
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)C	PC-id_40955749	428.544	IQCNIYLTFZXHOI-INIZCTEOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128721
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)C	PC-id_40955750	428.544	IQCNIYLTFZXHOI-MRXNPFEDSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128722
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(cc(cc1C)C)C)C(=O)NC(=O)OC	PC-id_41642858	428.544	KMLSKTXFPVOKDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128723
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(cc(cc1)C)C)C(=O)NC(=O)OCC	PC-id_41099802	428.544	NSIODBQZBMWIER-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128724
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(ccc(c1)C)C)C(=O)NC(=O)OCC	PC-id_41619014	428.544	HUSGAMGPLAEGNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128725
s1c2c(CCCCC2)c(c1NC(=O)Cc1cc(c(cc1)C)C)C(=O)NC(=O)OCC	PC-id_41619962	428.544	WMFWWGSLKUDILP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128726
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(cc1)CC)C(=O)NC(=O)OCC	PC-id_41676405	428.544	RCNODHABDRPCQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128727
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(C(C)C)cc1)C(=O)NC(=O)OC	PC-id_41362770	428.544	BEZFPVRUSLUUFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128728
s1c2c(CCCCC2)c(c1NC(=O)CC(NC(=O)C)c1ccc(cc1)C)C(=O)OC	PC-id_55763108	428.544	WDDGSAGMDYQEHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128729
s1c2c(CCCCC2)c(c1NC(=O)C(Oc1c(OC)cc(cc1)CC=C)C)C(=O)N	PC-id_3330562	428.544	QNVUCKVFFGYTRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128730
s1c2CCCCCCc2cc1C(=O)Nc1cc(OCC(=O)NC2CC2)c(OC)cc1	PC-id_52632599	428.544	PVEZEHPHZLPVTD-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-128731
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1	PC-id_24341567	428.544	HRGAKISXKGZNGN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128732
S(=O)(=O)(c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCO)C(=O)Nc2cc1)CC	PC-id_72651853	428.544	WSARTSAOYJNYCE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-128733
CCNC(=NCc1nnc2n1CCCCC2)NC(c1ccc(c(c1)F)OCC1CC1)C	PC-id_109760733	428.546	VVHWDXFXQWFOJB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-128734
CCNC(=NCCc1nnc2n1CCCCC2)N1CC(C)OC(C1)c1ccc(cc1)F	PC-id_109523385	428.546	FGMCGQLUBFZMOI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128735
CN=C(N1CC(C)OC(C1)c1ccc(cc1)F)NCCCc1nnc2n1CCCCC2	PC-id_109523737	428.546	XROWDGUOPDPYIB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128736
CN=C(NC(c1ccc(c(c1)F)OCC1CC1)C)NCCc1nnc2n1CCCCC2	PC-id_109760745	428.546	SAKXBCYVQMCEPS-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-128737
COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_35360057,PC-id_24563233,MCULE-3520415032	428.546	NWAKNPBEQGTNAB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-128738
s1c(C[NH+]2CCn3c(nnc3CCNC(=O)Cc3ccc(F)cc3)CC2)c(cc1)C	PC-id_42163502	428.546	SGXBYWKLYOFCPC-UHFFFAOYSA-O	00000000100100110101000000000010000000000000000000000000	31-01-128739
s1c(C[NH+]2CCn3c(nnc3CCNC(=O)Cc3ccc(F)cc3)CC2)ccc1C	PC-id_42366994	428.546	ZBDMGXIDEOIVCZ-UHFFFAOYSA-O	00000000100100110101000000000010000000000000000000000000	31-01-128740
c1(cccn(CC(=O)Nc2sc3c(CCCCC3)n2)c1=O)C(=O)NC1CCCCC1	BDB-26402072,ZINC22_19749940,MCULE-6820463310,EMOLS-id_134311,PC-id_92635128	428.548	KHVLFOWKBSZULE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-128741
c1(NC(=O)CCC(=O)Nc2ccccc2N2CCOCC2)sc2c(CCCCC2)n1	MCULE-9319839819,EMOLS-id_335063990	428.548	DSSXITMPMKIHPE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128742
c1(NC(=O)CCC(=O)Nc2ccc(cc2)NC(=O)C(C)C)sc2c(CCCCC2)n1	MCULE-7847197920,EMOLS-id_335076024	428.548	JRWYGSCTSOFHRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128743
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1	BDB-26421845,PC-id_92634600,EMOLS-id_135383,ZINC22_19749345,MCULE-3134164275	428.548	DYOUYGVYZYOTFT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-128744
Cn1c(c(c(=O)n(c1=O)C)/C=N/c1c(c2c(s1)CCCCCCCCCC2)C#N)O	PC-id_135681104	428.548	WRUZRVTUMANVQK-ZVHZXABRSA-N	00000000100000100101000000000010000000000000000000000000	31-01-128745
COc1cccc(CNC(=O)c2nc3CCN(CC(=O)N4CCCC4)CCc3s2)c1	EMOLS-id_313792824,ZINC22_2055793386	428.548	WHZHFNBEXWUIHV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128746
COc1ccc(CNC(=O)c2nc3CCN(CC(=O)N4CCCC4)CCc3s2)cc1	EMOLS-id_313792567,ZINC22_2055793325	428.548	PWRZDMXRAIITIJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-128747
COc1ccc(NC(=O)c2cc3c(s2)CCCCC3)c(N2CCN(C(=O)C)CC2)n1	MCULE-5084570247,PC-id_47093208,ZINC22_58192347,EMOLS-id_32164497	428.548	YWQUQRNQYJHGDG-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-128748
O1CCC(CC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1c(OCC)cccc1	PC-id_42168734	428.548	WLUSCMWYFYERPN-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-128749
O=C(C1CN(C)C(=O)Nc2c(C(=O)N1CCc1ccccc1)scc2)NC(C)(C)C	SCHEMBL14399119,PC-id_71162358	428.548	IAGIGKCZANKMOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128750
O=CNc1cccc(c1NC)OCCNCCn1sc2c(c1=O)CC=CC=C2CC	PC-id_142890626	428.548	VDHITHXBVBYIQE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128751
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(CNC(=O)NC(C)C)cc1	PC-id_24488092	428.548	ZTMNKJQVJKSTKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128752
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ncccc1)C(=O)OC	PC-id_22199393	428.548	LJTRUVNPYPVYQI-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-128753
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)NC(C)C)cc1	PC-id_52671661	428.548	VBURNRLKFGPZJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128754
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)NC(C)C)ccc1	PC-id_55649363	428.548	QJGLSJRTKNGIAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128755
s1c2CCCCCCCCCCc2c(c1NC=C1C(=O)N(C(=O)N(C1=O)C)C)C#N	PC-id_6220854	428.548	NCUXOHZDGAULMY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128756
CC1OC(C)CN(C1)S(=O)(=O)N1CCN(CC1)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_29677170,MCULE-1277934730,PC-id_43067178	428.549	GEIXFYOTMSAAPQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128757
C[C@@H]1CN(S(=O)(=O)N2CCN(Cn3nc4n(c3=O)CCCCC4)CC2)C[C@@H](C)O1	PC-id_36348192,CoCoCo_4846268,ZINC22_29168637	428.549	GEIXFYOTMSAAPQ-HZPDHXFCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128758
C[C@H]1CN(S(=O)(=O)N2CCN(Cn3nc4n(c3=O)CCCCC4)CC2)C[C@@H](C)O1	PC-id_36348197,CoCoCo_4846269,ZINC22_29168641	428.549	GEIXFYOTMSAAPQ-IYBDPMFKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128759
C[C@H]1CN(S(=O)(=O)N2CCN(Cn3nc4n(c3=O)CCCCC4)CC2)C[C@H](C)O1	ZINC22_29168647,CoCoCo_4846270,PC-id_36348205	428.549	GEIXFYOTMSAAPQ-HOTGVXAUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128760
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(C1)c1ncccc1F	PC-id_109640851	428.549	NKFHCQYAENMWCO-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-128761
c
(=N/C(=O)C(C)NC(=O)N2CCN(CC2)c2ccccn2)/sc2c(CCCCC2)[nH]1	PC-id_53369896,EMOLS-id_46560966,MCULE-9701493839	428.551	DUAGQMPOMINUTI-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-128762
c1(sc2c(CCCCC2)n1)NC(=O)[C@H](C)NC(=O)N1CCN(CC1)c1ccccn1	EMOLS-id_35784473,PC-id_52898709,MCULE-8142723754,STOCK7S-12686,ZINC22_61718514	428.551	DUAGQMPOMINUTI-HNNXBMFYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-128763
Cc1c(C#N)c(NC(=O)CSc2nnc3n2CCCCC3)n(C[C@H]2CCCO2)c1C	CoCoCo_4311459,ZINC22_9647708,PC-id_41157385	428.551	HSJSIHSWPPTFTK-MRXNPFEDSA-N	00000010110000000101000000000010000000000000000000000000	31-01-128764
Cc1c(C#N)c(NC(=O)CSc2nnc3n2CCCCC3)n(C[C@@H]2CCCO2)c1C	PC-id_41157384,ZINC22_9647707,CoCoCo_4311458	428.551	HSJSIHSWPPTFTK-INIZCTEOSA-N	00000010110000000101000000000010000000000000000000000000	31-01-128765
C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_95395430,ZINC22_71333725	428.551	DUAGQMPOMINUTI-OAHLLOKOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-128766
N#Cc1c(C)c(n(c1NC(=O)CSc1nnc2n1CCCCC2)CC1CCCO1)C	MCULE-6606095824,PC-id_16347044,EMOLS-id_11791137	428.551	HSJSIHSWPPTFTK-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-128767
CCCC(=O)OC/C/1=C/CCc2coc(c2)C/C(=CCC(CC1)C(=C)COC(=O)C)/C	PC-id_101000010	428.561	BGVIOMRWMNDQCQ-SMCGXQMCSA-N	00000000100000000110000000000010000000000000000000000000	31-01-128768
CCCC(=O)OC/C/1=CCCc2coc(c2)C/C(=C/C[C@@H](CC1)C(=C)COC(=O)C)/C	UNPD43715	428.561	BGVIOMRWMNDQCQ-LZLNYOMDSA-N	00000000100000000110000000000010000000000000000000000000	31-01-128769
CCCC(=O)OCC(=C)[C@@H]1CC/C(=C/CCc2cc(C/C(=C/C1)/C)oc2)/COC(=O)C	UNPD192595	428.561	ZYZOFJJZDAYDND-LZLNYOMDSA-N	00000000100000000110000000000010000000000000000000000000	31-01-128770
O=C(OC/C/1=CCCc2coc(c2)C/C(=C/CC(C(=C)COC(=O)CCC)CC1)/C)C	CNP0265765	428.561	ZYZOFJJZDAYDND-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-128771
O=C(OCC(=C)C1C/C=C(C)/Cc2occ(c2)CC/C=C(COC(=O)CCC)/CC1)C	CNP0168829	428.561	BGVIOMRWMNDQCQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-128772
Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1F	PC-id_51115989,MCULE-2407934822,ZINC22_58406529,EMOLS-id_33350402	428.563	IIWOJWLYOACVRN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-128773
c1(NC(=O)C2CCN(CC2)S(=O)(=O)C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-5140224037,EMOLS-id_16979230,PC-id_25856236,CoCoCo_5264238,ZINC22_13704863	428.566	MRZPNHKWNALLFU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-128774
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_44086269	428.566	HAXHIMXSMPTGRY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-128775
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_44086866	428.566	JMNCZPTXCIGPQD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-128776
n1(cc(C(c2c3c(n(c2)CC)cccc3)c2c3-c(cc2)ccccc3)c2c1cccc2)CC	PC-id_86231945	428.567	VDYSJRUAJZKALQ-UHFFFAOYSA-N	00000010100000100110000001100010000000000000000000000000	31-01-128777
c1(NC(=O)CSc2c[nH]c3ccccc23)sc2c(CCCCC2)c1C(=O)OCC	MCULE-6814242430,EMOLS-id_16384342,CoCoCo_2667570,PC-id_3293647	428.568	UAMBMKGOBUYWCL-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-128778
s1c2CC(CCc2c(c1NC(=O)COC(=O)c1sc2CCCCCc2c1)C#N)C	PC-id_16509407	428.568	BHSKZDXAEOSFEV-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-128779
s1c2CCCCCc2c(c1NC(=O)CC[NH+](Cc1c(OC)cc(OC)cc1)C)C#N	PC-id_27223059	428.568	MDQJQUVZXRYGGH-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-128780
s1c2CCCCCc2c(c1NC(=O)CC[NH+](Cc1c(OC)c(OC)ccc1)C)C#N	PC-id_27239699	428.568	DASMKRWCEIURFW-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-128781
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+](CC1OCCC1)Cc1occc1)C#N	PC-id_75916017	428.568	CEJQPYXCAMIJQE-UHFFFAOYSA-O	00000010101000000100000000000010000000000000000000000000	31-01-128782
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+](C[C@H]1OCCC1)Cc1occc1)C#N	PC-id_52748137	428.568	CEJQPYXCAMIJQE-SFHVURJKSA-O	00000010101000000100000000000010000000000000000000000000	31-01-128783
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+](C[C@@H]1OCCC1)Cc1occc1)C#N	PC-id_52748139	428.568	CEJQPYXCAMIJQE-GOSISDBHSA-O	00000010101000000100000000000010000000000000000000000000	31-01-128784
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ccccc1)C(=O)OC	PC-id_2685095	428.568	GZEFLFRZHVCOSO-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-128785
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1sc2CCCCCc2c1)C#N	PC-id_16509408	428.568	HCMSCJILEPUPQJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-128786
C1CN(CCC1c1ccccc1)C(=O)c1cnc2n1CCN(CC2)CCc1ccccc1	PC-id_134806852	428.569	UREVGZNUPSSZEI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128787
O=c1n(CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)nc2n1CCCCC2	PC-id_15105351,CHEMBL417207	428.569	ULMLQQIXYMUQNH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128788
C=C1CN(Cc2c(N1)n(C)nc2)C(=O)C1CCC(CC1)CNC(=O)CC1CCNCC1	PC-id_143188849	428.571	FAIJPRJTODGRQD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128789
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc2c(s1)CCCCCC2	MCULE-7296022575,ZINC22_170591855,EMOLS-id_50559624,PC-id_99780998	428.571	HYIVBQDLOKIOKY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-128790
CCNC(=NCc1nnc2n1CCCCC2)NC(c1ccc(c(c1)OCC)OCC)C	PC-id_111298055	428.571	KPZMRFDNJWVSLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128791
CCNC(=NCc1nnc2n1CCCCC2)NCCc1ccc(c(c1)OCC)OCC	PC-id_111246083	428.571	PAMRFCCWNAVMMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128792
CCNC(=NCc1nnc2n1CCCCC2)NCCCc1ccc(c(c1)OCC)OC	PC-id_111574985	428.571	ZIXQWNRDOIEITI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128793
CCNC(=NCC(c1cccc(c1)OC(C)C)O)NCCc1nnc2n1CCCCC2	PC-id_109491935	428.571	TXRSIPJNAKIZIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128794
CCNC(=NCC(c1ccc(cc1)OC(C)C)O)NCCc1nnc2n1CCCCC2	PC-id_109494221	428.571	IKXWQKNQGNSNFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128795
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc(cc1OC)OC)C	PC-id_111296563	428.571	AZWCUAYUEZNOGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128796
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1cc(OC)ccc1OC)C	PC-id_111378314	428.571	JAGZPUPKXPULLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128797
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccc(c(c1)OC)OC	PC-id_111213835	428.571	UIJMBZHHCDRJBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128798
CCNC(=NCCCc1nnc2n1CCCCC2)N(CCOc1ccc(cc1)OC)C	PC-id_111363565	428.571	OWPOYRFYULFZFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128799
CCNC(=NCC(Oc1cccc(c1)OC)C)NCCCc1nnc2n1CCCCC2	PC-id_111679410	428.571	AXAMANJDOATHRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128800
CCNC(=NCC(Oc1ccccc1OC)C)NCCCc1nnc2n1CCCCC2	PC-id_111682740	428.571	ARXAHGHPCSGHIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128801
CCOc1cc(CCCNC(=NC)NCCc2nnc3n2CCCCC3)ccc1OC	PC-id_111574623	428.571	MRMBSAJKEXJTLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128802
CCOc1cc(CCNC(=NC)NCCc2nnc3n2CCCCC3)ccc1OCC	PC-id_111245677	428.571	QQQJXQGOIIKIJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128803
CCOCCCNC(=NCc1ccc(cc1)OC)NCCc1nnc2n1CCCCC2	PC-id_110925131	428.571	ZTTYVRLOMRHSSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128804
CCOCCOc1cc(C)ccc1CN=C(NCc1nnc2n1CCCCC2)NCC	PC-id_109600388	428.571	AZXKSYWVIWIHOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128805
CCOCCOc1cc(C)ccc1CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_109600000	428.571	FPZWDLQWLVVGFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128806
CN=C(N(Cc1cc(OC)c(cc1C)OC)C)NCCCc1nnc2n1CCCCC2	PC-id_111368089	428.571	PYLLHNTURTVCIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128807
CN=C(N(CCc1ccc(c(c1)OC)OC)C)NCCCc1nnc2n1CCCCC2	PC-id_111241963	428.571	GJMLYDQCASWIBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128808
COc1ccc(N(Cc2cccs2)C(=O)CSc2nnc3n2CCCCC3)cc1	MCULE-7638794140,ZINC22_32556514,CoCoCo_3854852,EMOLS-id_43906709,PC-id_39800078	428.571	VJCYUQMDPDBZMU-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-128809
COCCCOc1cccc(c1)NC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_109460512	428.571	JWWWNMMWQMVEBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128810
COCCCOc1cc(C)ccc1CN=C(NCc1nnc2n1CCCCC2)NCC	PC-id_109604478	428.571	HPFVNJIBWBGSOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128811
COCCCOc1cc(C)ccc1CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_109604096	428.571	QQBLNCWYCVHWGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128812
COCCOc1cc(C)ccc1CN=C(NCCc1nnc2n1CCCCC2)NCC	PC-id_109626114	428.571	VROGDILZUBHPKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128813
COCCOc1cc(C)ccc1CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109624940	428.571	NOMMRGDMBJWBEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128814
N#Cc1c(NC(=O)CSc2nc(C)c(c(c2C(=O)N)C)C)sc2c1CCCCC2	PC-id_16268931,CoCoCo_3897776	428.571	KELUNWAYXXVTQF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-128815
O=C1N(CCCC[NH+]2CCN(CC2)c2ncccn2)CCCc2c1cc(s2)C(=O)C	GLL_PC-id_19881110	428.571	ABLBQPSTGJVNBV-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-128816
O=C(c1cc2c(s1)CCCCC2)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	CoCoCo_4294230,MCULE-1408710585,PC-id_16349787,ZINC22_23717331,EMOLS-id_3694611	428.571	OZZOVHAGOCCWFK-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-128817
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1c(OCC)cccc1)C1C[NH+](CCC1)C	PC-id_74799694	428.571	ZNRWWRRWOJIMRC-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-128818
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1c(OCC)cccc1)[C@H]1C[NH+](CCC1)C	PC-id_42366760	428.571	ZNRWWRRWOJIMRC-LJQANCHMSA-P	00000000100010110101000000000010000000000000000000000000	31-01-128819
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1c(OCC)cccc1)[C@@H]1C[NH+](CCC1)C	PC-id_42366761	428.571	ZNRWWRRWOJIMRC-IBGZPJMESA-P	00000000100010110101000000000010000000000000000000000000	31-01-128820
O=C(NNC(=O)c1cc2c(s1)CCCCC2)CCSCc1cn2c(n1)cccc2	MCULE-7999407052,CoCoCo_4669788,PC-id_38036186,EMOLS-id_24038754	428.571	SMGZHBIAWYKZSV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128821
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)Cc1onc(n1)c1sccc1	PC-id_24609994	428.571	UYJLAVRLUFIQHN-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-128822
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(c(c(c2c1N)C)C)C)C(=O)N	PC-id_24056015	428.571	SLHHDSLTCVPBIV-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-128823
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(C(C)C)ccc2c1N)C(=O)N	PC-id_23861076	428.571	XTMMMKITMOVCDH-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-128824
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(CCC)ccc2c1N)C(=O)N	PC-id_23944862	428.571	IERXKXGSSCCSHU-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-128825
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC[NH+](CC1)Cc1noc(c1)C)C#N	PC-id_51907672	428.571	LJUFFKAKYJFKGG-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-128826
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)Cc1noc(c1)C)C)C#N	PC-id_51619505	428.571	SCXOSPMEWLWWIT-INIZCTEOSA-O	00000000100010000101000000000010000000000000000000000000	31-01-128827
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)Cc1noc(c1)C)C)C#N	PC-id_51619506	428.571	SCXOSPMEWLWWIT-MRXNPFEDSA-O	00000000100010000101000000000010000000000000000000000000	31-01-128828
s1c2c(CCCCC2)c(c1NC(=O)C(N1CC[NH+](CC1)Cc1noc(c1)C)C)C#N	PC-id_75687327	428.571	SCXOSPMEWLWWIT-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-128829
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(cc(c2c1N)C)C)C(=O)N	PC-id_24028472	428.571	BZEJGMCFFAUDGZ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-128830
c1ccc(cc1)CCn1cc2c(n1)C(=NC(CN2)Cc1ccccc1)NC1CCNCC1	SCHEMBL3468015,PC-id_68654312	428.572	PIQGBNPVCRMASP-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-128831
c1ccc(cc1)CCn1cc2c(n1)C(=N[C@@H](CN2)Cc1ccccc1)NC1CCNCC1	PC-id_46840855,SCHEMBL3467114	428.572	PIQGBNPVCRMASP-HSZRJFAPSA-N	00000000100010110111000000000010000000000000000000000000	31-01-128832
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)Cc1noc(c1)C	PC-id_111378494	428.574	FTBCWWGRXOERDD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128833
c1(NC(=O)C2C3CCC(C3)C2C(=O)O)sc2c(CCCCCCCCCC2)c1C#N	PC-id_4615511,EMOLS-id_4113056,SPECS-id_AK-968/40728746,MCULE-9400454495,TIMTEC105923	428.587	CPTZNPORQSWBKT-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-128834
c1(NC(=O)c2cccnc2)sc2c(CCCCCCCCCC2)c1C(=O)OCCC	EMOLS-id_4113050,MCULE-1573489701,PC-id_1758410,CoCoCo_5831364,TIMTEC433609,ZINC22_2103193,SPECS-id_AK-968/40729110	428.587	RRPDJMRTSFHAQM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-128835
CC(C)(C)c1ccc(OCCCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	MCULE-8181882702,ZINC22_13097171,CoCoCo_3250488,PC-id_25708631,EMOLS-id_43822199	428.587	IFNZNFFTRJXDQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128836
CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_17099139,ZINC22_21595953	428.587	VTHWEBFCAYASFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128837
N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	PC-id_20024485,ZINC22_100926213	428.587	CPTZNPORQSWBKT-LRGYGIHKSA-N	00000010100010000100000000000110000000000000000000000000	31-01-128838
N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_100926210,PC-id_20024483	428.587	CPTZNPORQSWBKT-AFMUBRCDSA-N	00000010100010000100000000000110000000000000000000000000	31-01-128839
N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_229948917,PC-id_100876984	428.587	CPTZNPORQSWBKT-SNHGZMDHSA-N	00000010100010000100000000000110000000000000000000000000	31-01-128840
N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_239287332	428.587	CPTZNPORQSWBKT-LVNJIZSUSA-N	00000010100010000100000000000110000000000000000000000000	31-01-128841
N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCCCCCC2	CoCoCo_5831246,PC-id_27526567	428.587	CPTZNPORQSWBKT-GQSCTRQFSA-N	00000010100010000100000000000110000000000000000000000000	31-01-128842
N#Cc1c(NC(=O)[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCCCCC2	CoCoCo_5831249	428.587	CPTZNPORQSWBKT-QMKUDKLTSA-N	00000010100010000100000000000110000000000000000000000000	31-01-128843
N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCCCCCC2	CoCoCo_5831250	428.587	CPTZNPORQSWBKT-HDIOYNLWSA-N	00000010100010000100000000000110000000000000000000000000	31-01-128844
N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCCCCC2	CoCoCo_5831251	428.587	CPTZNPORQSWBKT-OBNJBMLMSA-N	00000010100010000100000000000110000000000000000000000000	31-01-128845
N#Cc1c(NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCCCCC2	CoCoCo_5831252	428.587	CPTZNPORQSWBKT-VAKZPMALSA-N	00000010100010000100000000000110000000000000000000000000	31-01-128846
N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCCCCC2	PC-id_27526565,CoCoCo_5831248	428.587	CPTZNPORQSWBKT-LXDRIQHSSA-N	00000010100010000100000000000110000000000000000000000000	31-01-128847
N#Cc1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCC2	ZINC22_4650770,CoCoCo_5831245,PC-id_11895712	428.587	CPTZNPORQSWBKT-XTCWOQMQSA-N	00000010100010000100000000000110000000000000000000000000	31-01-128848
N#Cc1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCC2	ZINC22_4650771,CoCoCo_5831247,PC-id_11895714	428.587	CPTZNPORQSWBKT-ALGWMNEGSA-N	00000010100010000100000000000110000000000000000000000000	31-01-128849
s1c2c(CCCCCC2)c(c1NC(=O)C(Oc1cc(C(C)C)ccc1C)C)C(=O)N	PC-id_23883988	428.587	RBVYBNIDOHSPQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128850
c1(NC(=O)CCC(=O)Nc2ccc(cc2C)N(CC)CC)sc2c(CCCCC2)n1	MCULE-7132873247,EMOLS-id_335026368	428.591	ZQSMDWQJTHJHPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128851
CN1CCC(=O)c2cn(cc2S1)CCCCN1CCN(CC1)c1ccccc1OC	PC-id_90717841	428.591	HSRZCAWLVGRYSI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128852
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)CC(C)C)COC	PC-id_74800363	428.591	FPPWDGODKIFUAN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128853
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)CC(C)C)COC	PC-id_74800448	428.591	OFCPAABHZAMDOG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128854
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)CC(C)C)COC	PC-id_42372637	428.591	FPPWDGODKIFUAN-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128855
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)CC(C)C)COC	PC-id_42372640	428.591	FPPWDGODKIFUAN-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128856
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)CC(C)C)COC	PC-id_42373313	428.591	OFCPAABHZAMDOG-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128857
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)CC(C)C)COC	PC-id_42373314	428.591	OFCPAABHZAMDOG-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128858
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)N1CCCC1)C#N	PC-id_36334525	428.591	UJCDWFZOLLGXFP-UHFFFAOYSA-N	00000010100010000100000000000010000000000000000000000000	31-01-128859
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)Cc1ccccc1	PC-id_30376967	428.591	FKGVRQXLHAGSHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128860
c1(NC(=O)CSc2ncnc3sc(C)c(C)c23)sc2c(CCCCC2)c1C#N	PC-id_1586886,ZINC22_1801776,CoCoCo_1817242,MCULE-5578239701,EMOLS-id_3064900,SPECS-id_AF-399/40684377	428.594	QFUJEGWHMGYJGQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-128861
Cc1cccc(NC(=O)CN2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)c1C	EMOLS-id_13550407,MCULE-1452490495,ZINC22_20638746,CoCoCo_3841038,PC-id_9245437,CoCoCo_3841039	428.594	COQPTOJJAJUTAT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128862
S=c1n2c(nn1CN1CCN(CC1)CC(=O)Nc1c(cccc1C)C)CCCCC2	PC-id_9330272	428.594	VMJFATPDPMJDOS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128863
C1(CCCCC1)/C=C/c1c2-c(c(c1)/C=C/c1c3-c(c(c1)/C=C/C)ccccc3)ccccc2	PC-id_59760280	428.607	WLQXXALPQJMTJD-WIFBJOEDSA-N	00000010100010000110000000000010000000000000000000000000	31-01-128864
C1(CCCCC1)C=Cc1c2-c(c(c1)/C=C/c1c3-c(c(c1)/C=C/C)ccccc3)ccccc2	PC-id_59760288	428.607	WLQXXALPQJMTJD-XDOGFSAQSA-N	00000010100010000110000000000010000000000000000000000000	31-01-128865
C1(CCCCC1)C=Cc1c2-c(c(c1)C=Cc1c3-c(c(c1)C=CC)ccccc3)ccccc2	PC-id_72554581	428.607	WLQXXALPQJMTJD-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-128866
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1c2ccccc2CC1C	PC-id_3275866,MCULE-1160233985,TIMTEC156321,EMOLS-id_4113084	428.611	FTZYIKMDTMHIJD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-128867
CCc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]CC(C)C)sc2c1CCCCC2	GD-id_ZINC04554291,PC-id_7280568	428.611	MGTXUQRHQGOKAU-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-128868
CCOC(=O)c1c(NC(=S)N2c3ccccc3C[C@@H]2C)sc2c1CCCCCC2	PC-id_40573379,ZINC22_5948024,CoCoCo_6800369	428.611	FTZYIKMDTMHIJD-HNNXBMFYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-128869
CCOC(=O)c1c(NC(=S)N2c3ccccc3C[C@H]2C)sc2c1CCCCCC2	ZINC22_5948025,CoCoCo_6800370,PC-id_40573380	428.611	FTZYIKMDTMHIJD-OAHLLOKOSA-N	00000010100000100100000000001010000000000000000000000000	31-01-128870
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc2CCCc2cc1)C(=O)OCC	PC-id_19648922	428.611	LTXZLSBKOCTTQU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-128871
CC(C[C@H](c1nnc2n1CC[N@H+](CC2)Cc1cc(C)cc(c1)C)NC(=O)C[NH+](C)C)C	GD-id_ZINC12050876	428.614	QVLYQNFAAKNVNC-OAQYLSRUSA-P	00000000100000110101000000000010000000000000000000000000	31-01-128872
S(CC(=O)N1CC[NH+](CC1)Cc1ccc(cc1)C(C)C)c1n2CCCCCc2nn1	PC-id_9452335	428.614	JWADADQNSDVHFZ-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-128873
O=S(=O)(N1CCCCCC1)N1CCN(Cn2nc3n(c2=S)CCCCC3)CC1	ZINC22_14238803,CoCoCo_4552059,EMOLS-id_13556289,PC-id_17570788,MCULE-9283773199	428.616	CKBGAPUHZLBCLQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-128874
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(C(C)C)ccc(c1)C	PC-id_30377268	428.631	XVDXQWJBIUKXNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128875
S(c1cc2sc(=S)sc2cc(Sc2ccccc2)c1=O)c1ccccc1	PC-id_14171261	428.634	XMTZXSQZCJJXPX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128876
CN=C(NCC1(CCCCC1)c1cccs1)NCCCc1nnc2n1CCCCC2	PC-id_111637370	428.637	QZNPAPWHDCPIQK-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-128877
CCO[Si](c1c(CC)cc2-c1ccccc2)(c1c(CC)cc2-c1ccccc2)OCC	PC-id_139893945	428.638	HRJADUSOOTUAMK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-128878
CO[Si](c1c(cc2-c1ccccc2)C(C)C)(c1c(cc2-c1ccccc2)C(C)C)OC	PC-id_139893951	428.638	HGPIBLPVEXKIJB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-128879
[Si](C#Cc1cc(CN2CCN(CC2)c2c(OC)cccc2)c2-c1ccccc2)(C)(C)C	PC-id_71497630	428.641	KHBLHDIUCXIZRS-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-128880
CCCCCCCCC1(CCCCCCCC)COc2c(OC1)c(sc2C#C)C#C	PC-id_101953024	428.67	UNMFMORNTTYXMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-128881
Brc1c(Cl)c(OC2CCN(Cc3occc23)CC(=O)OCC)ccc1	PC-id_68414063	428.705	JHRYFOWCEJCKLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128882
Fc1cccc(Cn2nc3CCCCC(C(=O)NCc4ccc(Cl)cc4)n3c2=O)c1	EMOLS-id_207869505,MCULE-7147625895	428.887	QRJOWIGUKWJIQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128883
Clc1cc(ccc1C(=O)N1CCCC(=O)c2c1ccs2)NC(=O)c1occc1C	PC-id_141594230	428.889	QZRHESNWGGNUKE-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-128884
Clc1c(c2nc(OCC(=O)Nc3sc4CCCCCc4c3C#N)on2)cccc1	PC-id_56337242	428.892	UTRQOIWSOYOKPR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128885
Clc1c(cc(C2OC(C(O)C(O)C2O)CO)cc1)C(c1cc2-c(c1)ccccc2)C	PC-id_77444966	428.905	XBSOLRZZAYABEW-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-128886
Clc1c(cc([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc1)C(c1cc2-c(c1)ccccc2)C	SCHEMBL12439589,PC-id_68264513	428.905	XBSOLRZZAYABEW-JZKBLIEKSA-N	00000010100010110110100000000010000000000000000000000000	31-01-128887
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)c2cc(F)ccc2)cc1	PC-id_69954163,SCHEMBL6989817	428.907	ZRKUGLWWVCJYQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128888
Fc1ccc(cc1)C(=O)NCCc1nnc2n1CC[N@@H+](CC2)Cc1ccccc1Cl	GD-id_ZINC11995470	428.91	GXINKXZREJUZFW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-128889
CCOC(=O)C(CCn1nc2-c(c1=O)ccccc2)NCCNc1cccc(c1)Cl	PC-id_142274645	428.912	WEMWMRRHNSCMHP-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-128890
C[C@H](NCc1ccc(OCc2c(F)cccc2Cl)cc1)c1nnc2n1CCCCC2	PC-id_51941223,ZINC22_40088625,CoCoCo_4858048	428.93	KPBZRCJKPDSJET-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128891
C[C@@H](NCc1ccc(OCc2c(F)cccc2Cl)cc1)c1nnc2n1CCCCC2	ZINC22_40088626,CoCoCo_4858047,PC-id_51941225	428.93	KPBZRCJKPDSJET-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128892
Clc1c(COc2ccc(CNC(c3n4CCCCCc4nn3)C)cc2)c(F)ccc1	MCULE-7299640193,PC-id_45883792	428.93	KPBZRCJKPDSJET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128893
Clc1ccc(C2(CC2)C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_24380652	428.932	MZCPSXQJLJJATM-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-128894
Clc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCCc1cccs1	MCULE-5408921127,PC-id_50797851,EMOLS-id_32846308	428.935	CUXWXWBFUXBWEV-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-128895
Clc1c(Cn2ncc(C(=O)Nc3sc4c(CCCCC4)c3C(=O)N)c2)cccc1	PC-id_55461927	428.935	HCMDJRFAKVDNIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128896
Clc1c(C(=O)Nc2sc3CCCCCc3n2)cc(c2c(c(=O)[nH]nc2C)C)cc1	PC-id_43819033	428.935	RGJIRPRLDMIDBL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128897
Clc1n(nc(c1C(=O)NNC(=O)c1sc2CCCCCc2c1)C)c1ccccc1	PC-id_46663913	428.935	OHHUFTKOUWJWMR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128898
O=C(c1ccoc1)N[C@H](c1nnc2n1CC[N@@H+](CC2)Cc1ccccc1Cl)C(C)C	GD-id_ZINC12022412	428.935	NKRDJWULRSUHKF-FQEVSTJZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-128899
O=C(CSc1nnc2n1CCCCC2)Nc1cc(Cl)ccc1Oc1ccccc1	CoCoCo_3081452,MCULE-3749254384,EMOLS-id_11669004,ZINC22_9884417,PC-id_16270465	428.935	MAGIOWAHAZVJEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128900
Clc1ccc(S(=O)(=O)N2C(C(C(C)C)c3c(scc3)CC2)C(=O)NO)cc1	PC-id_76485835	428.953	RSYPMTQSYUWYAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128901
Clc1ccc(S(=O)(=O)N2[C@@H]([C@@H](C(C)C)c3c(scc3)CC2)C(=O)NO)cc1	PC-id_57162989	428.953	RSYPMTQSYUWYAD-IRXDYDNUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128902
Clc1cc(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc1OC	PC-id_39827588	428.953	JMGWJNIUWGVTOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128903
c12C(=O)N(CCCn1nc(C(=O)NC1CCCCCCC1)c2)Cc1ccc(cc1)Cl	EMOLS-id_16324770,PC-id_20964779,CoCoCo_2544613,MCULE-7673455252	428.955	VZBANRCKYBJQAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128904
Clc1ccc(cc1)N1CCN(CC1)CCCCn1ccc2c1C(=O)N(C)CCC2=O	PC-id_20085232,SCHEMBL6984668	428.955	BSNIMKYVMXZFDO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128905
Clc1cccc(c1)N1CCN(CC1)CCCCn1ccc2c1C(=O)N(C)CCC2=O	PC-id_20085237,SCHEMBL6990192	428.955	LEUZDBVQVZZXJX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128906
Clc1ccc(cc1)c1ncccc1C(n1ncc2c1CCNCC2)Cc1ccccc1	PC-id_145784274	428.956	RICXPJYLAQOTRZ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-128907
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1Cc1ccccc1Cl	CoCoCo_3081889,ZINC22_9672015,MCULE-7642614499,PC-id_16290883,EMOLS-id_11707605	428.978	IIHIFDOTHHWIKB-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-128908
Clc1ccc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)cc1	PC-id_22198452	428.978	GVJNUBBRNIBVHQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128909
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1	PC-id_4818521	428.978	LXBPEFLLDQQPFE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128910
Clc1c(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)cccc1	PC-id_4818498	428.978	OZEKPAMEXSETIZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128911
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)Cc1ccccc1Cl)C	CoCoCo_3081890,CoCoCo_3081893	428.978	HKTNXDHQHFYVOX-ZHZULCJRSA-N	00000000110000110101000000000010000000000000000000000000	31-01-128912
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)Cc1ccccc1Cl)C	CoCoCo_3081892,CoCoCo_3081891	428.978	HKTNXDHQHFYVOX-XSFVSMFZSA-N	00000000110000110101000000000010000000000000000000000000	31-01-128913
CCn1cc(c2c1CCCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)Cl)C	PC-id_22737950,SCHEMBL6775029	428.998	IVGPZAYMNAYGML-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-128914
CCNC(=NCC1(CC1)c1cccc(c1)Cl)NCCCc1nnc2n1CCCCC2	PC-id_111640082	429.001	FYKUACSCJQFIIC-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-128915
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)C=C)C(F)(F)F	PC-id_160043472	429.097	TVXXIFGXGRPNTP-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128916
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)C=C)C(F)(F)F	PC-id_160043473	429.097	TVXXIFGXGRPNTP-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-128917
CC(=O)[C@H]1CCc2c(n(cc2S(=O)(=O)N1)C)C(=O)Nc1cc(c(cc1)F)C(F)F	PC-id_163636795	429.097	IAVDFTXFANOJDL-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128918
CC(C1=CCC=C(C=C1)C#N)C2=NC3=CC(=CCC=C3N2CC4=CC=CC=C4Cl)OC	PC-id_153381764	429.161	PKIFEHNLMOMYEM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128919
CC1=C2C(=C(N1)C(=O)NC3=C(C=CC(=C3)SN4CCOCC4)OC)CCCCC2=O	PC-id_154950588	429.172	QRIHHLOQADLCTE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128920
Brc1c(C(N)c2sc3c(CCCCC3)c2)cc(Br)c(c1)C	PC-id_81472752	429.212	MJCKMDNNAYOQPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128921
Brc1c(C(NC)c2sc3c(CCCCC3)c2)cc(Br)cc1	PC-id_43482199	429.212	ZGODBEAIDNUSIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128922
CCOC(=O)Cc1coc2ccccc(cccc12)OCCN(C)C(=O)OC(C)(C)C	PC-id_163919148	429.215	QYWWIOOKBXMVAF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-128923
CCC1=C(C2=C(CCC2)C=C1C)NC(=O)NSC3=C4N(CCC(CO4)(C)NC)N=C3	PC-id_153571636	429.22	YCBAZIPFXFIRSI-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-128924
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=COC(=C3)C4CC4	PC-id_155203614	429.226	DFLNGLCBCUQUGJ-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-128925
C1CC2=NN(C(=O)N2CC[C@H]1C(=O)NCCN3CCOCC3)CCOC4=CC=CC=C4	PC-id_164643379	429.238	JGWPHYWNHIZQPI-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128926
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CN=C(N=C3)C	PC-id_155171445	429.238	BMLLATVZWKSBNZ-OAHLLOKOSA-N	00000000100000100101000000000010000000000000000000000000	31-01-128927
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(o1)Cn1ncc(c1)Br	PC-id_86947866	429.271	GXENOXINHVIVRG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-128928
CC(C)N1C=CCC/C=CC=C2C(=N1)C(=O)NNC(=O)C3CCN(CC3)CCCOC	PC-id_154977284	429.274	QBVWKBJPCBBFKU-YINBETAISA-N	00000000100010000111000000000010000000000000000000000000	31-01-128929
Clc1c(OCC(O)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1Cl	PC-id_56098166	429.298	GVLGGAZZHOIONP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128930
Brc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCC(=O)O)/C(=O)Nc2cc1	PC-id_60113717,SCHEMBL6700644	429.307	BOHXJNWFHQYYPT-WJDWOHSUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-128931
Brc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)O)C(=O)Nc2cc1	PC-id_72651809	429.307	BOHXJNWFHQYYPT-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-128932
Brc1cc2NC(=O)C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)O)c2cc1	PC-id_60113739	429.307	GXIHFUQFHRGORI-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-128933
Brc1ccc(c(c1)Cn1ncc2c1C=CC(=CC2)C(=O)O)OCC1(C)CC1	PC-id_137397412,SCHEMBL20628877	429.307	NHXYBVHCJMWTFJ-UHFFFAOYSA-N	00100000100000110111000000000010000000000000000000000000	31-01-128934
OC(=O)CCc1c(/C=C/2C(=O)Nc3c2ccc(c3)Br)[nH]c2c1CCCCC2	SCHEMBL6695171	429.307	GXIHFUQFHRGORI-WJDWOHSUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-128935
Brc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc(OC)c1OCC=C	PC-id_41909836	429.31	YZBXXWCCEYCZHB-XNTDXEJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128936
Brc1cc(C=C(c2n3CCCCCc3nn2)C#N)cc(OC)c1OCC=C	PC-id_74772082	429.31	YZBXXWCCEYCZHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128937
Brc1ccc(c2n[nH]c(C(=O)NCCc3n4CCCCCc4nn3)c2)cc1	PC-id_55535235	429.314	AEHJDIPFYHOIAX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128938
Brc1cn2c(c1)N(C)C(=O)C(CC2)NCc1[nH]nc(n1)Cc1ccccc1	SCHEMBL19255764	429.314	VSALBWDKCDCPIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128939
Brc1cn(nc1)c1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55629005	429.314	INPRLGHGEOUMRT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128940
Cc1c(C(=O)NCc2nnc3n2CCCCC3)cnn1c1ccc(Br)cc1	ZINC22_32909448,EMOLS-id_44065841,MCULE-9465850333,PC-id_40146210,CoCoCo_4682247	429.314	UKGZAZHGIJIPTC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-128941
Clc1cc(CC2CCCCc3c2n(nc3C(=O)O)Cc2ccc(Cl)cc2)ccc1	PC-id_69236596,SCHEMBL4906436	429.339	LMCUNSUHLLARET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128942
Clc1ccc(cc1)CC1CCCCc2c1n(Cc1ccc(cc1)Cl)nc2C(=O)O	PC-id_68958566,SCHEMBL4213973	429.339	GKFIVQPHNFYYSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128943
Clc1ccc(CN(c2n3CCCCCc3nn2)CC(=O)c2ccc(Cl)cc2)cc1	PC-id_1538791	429.342	TZKADHVINDJWTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128944
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(OC)ccc([N+](=O)[O-])c1)C#N	PC-id_28128391	429.446	SAGFEORLQFVLKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129000
C1Cn2cc(nc2OCCN1CC(=O)NCc1cc(ccc1)OC(F)(F)F)[N+](=O)[O-]	PC-id_89580221,SCHEMBL14965849	429.351	FNUKAXZMAHCLTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128945
C1Cn2cc(nc2OCCN1CC(=O)NCc1ccc(cc1)OC(F)(F)F)[N+](=O)[O-]	SCHEMBL14965548,PC-id_89580002	429.351	AHSAEKTVMGJVSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128946
Brc1cccc(c1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3538135,PC-id_17495302,EMOLS-id_16664914,MCULE-7713185711	429.352	HLIUUHXXSSLSQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128947
Brc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_17505236,CoCoCo_3538099,MCULE-2868927949,EMOLS-id_16692767	429.352	XHURPUNJDANLFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128948
Brc1c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_17539873,CoCoCo_3538141,MCULE-8721206166,EMOLS-id_16796542	429.352	MMHWBPCKUUZUFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128949
CCOC(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(F)cc(c1)C(F)(F)F	PC-id_90460441,SCHEMBL16099642	429.365	MWHIMQWDLDLYNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128950
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1Cl	PC-id_20409860	429.384	PHJPAZBJKCKCJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128951
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc(Cl)c1	PC-id_20409815	429.384	KKZKMIFQRIDFOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128952
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1Cl	PC-id_20409645	429.384	REIIFJTVWZGATK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128953
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_20409695	429.384	RHSDVQRUGRFMRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128954
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc(Cl)cc1	PC-id_20409760	429.384	MZPROZXLKGAROV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128955
O=C(C(F)F)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)Nc1cc2-c(c1)ccccc2	PC-id_143555269	429.392	SYOCQRHODRAPEF-KRWDZBQOSA-N	00000010100000110111100000000010000000000000000000000000	31-01-128956
OC(CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-])NCCc1cccc(c1)C(F)(F)F	PC-id_145578221	429.394	PTJILFCVYOJXEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128957
CCN(Cc1ccc(Br)s1)C(=O)CSc1nnc2n1CCCCC2	ZINC22_12685610,CoCoCo_3854838,PC-id_16330869,EMOLS-id_3684419,MCULE-3713307797	429.398	FRROWEPYBDEHNB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-128958
N=Nc1ncc(nc1NC(C1=Cn2ccnc2CC=C1)C)c1cnn(c1)CC(F)(F)F	PC-id_144213278	429.402	CCJCQJZFBIDDCR-UHFFFAOYSA-N	00000000100000100111100000000010000000000000000000000000	31-01-128959
CC([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)O	SCHEMBL21337284,PC-id_139471285	429.413	ZDASTTCADXBMGY-IWSPRGBSSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128960
C[C@@H](C1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)O	PC-id_140762583	429.413	ZDASTTCADXBMGY-CUVJYRNJSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128961
C[C@@H]([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)O	SCHEMBL18352935	429.413	ZDASTTCADXBMGY-LKFCYVNXSA-N	00000000100000110111000000000010000000000000000000000000	31-01-128962
s1c2CCCCCCc2nc1NC(=O)c1c([N+](=O)[O-])ccc(OCC(F)(F)F)c1	PC-id_56021086	429.413	JHKWSSDKRDVJMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128963
Fc1ccc(c(c1)Cn1cnc(n1)C(=O)NC1CCn2c(N(C1=O)C)c(nc2C)C)F	SCHEMBL19659401	429.423	QYAVMQBQUMDBLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128964
Fc1ccc(c(c1)Cn1cnc(n1)C(=O)N[C@@H]1CCn2c(N(C1=O)C)c(nc2C)C)F	SCHEMBL18367131	429.423	QYAVMQBQUMDBLP-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128965
Fc1ccc(c(c1)F)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)c(c(n2)C)C	SCHEMBL18366540	429.423	DIURXPLXJOCPOH-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128966
O=C1C(CCn2c(N1C)cc(n2)C(F)(F)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366666	429.423	SWSMZQLVZWMOFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128967
O=C1[C@H](CCn2c(N1C)c(C)c(n2)C)NC(=O)c1ncn(n1)Cc1cccc(c1F)F	SCHEMBL18366516	429.423	FZLHONLEJRJDPF-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128968
O=C1[C@H](CCn2c(N1C)c(C)c(n2)C)NC(=O)c1ncn(n1)Cc1ccc(c(c1)F)F	SCHEMBL18366521	429.423	SLAGRBGTOACXKJ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128969
O=C1[C@H](CCn2c(N1C)c(C)c(n2)C)NC(=O)c1nnc([nH]1)Cc1cccc(c1F)F	SCHEMBL18372986	429.423	RNSIPLPVVWORDL-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128970
O=C(c1ncn(n1)Cc1c(F)cccc1F)NC1CCn2c(N(C1=O)C)c(nc2C)C	PC-id_140764926	429.423	FAMVPWNUICVCHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128971
O=C(c1ncn(n1)Cc1c(F)cccc1F)N[C@@H]1CCn2c(N(C1=O)C)c(nc2C)C	SCHEMBL18367129	429.423	FAMVPWNUICVCHW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128972
O=C(NC(C(=O)NC1Cc2nnc(o2)CNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109531,PC-id_138730377	429.427	KVDSMOZWMISCIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128973
N#CC(=Cc1ccc(cc1)OC(=O)c1cccc(c1)[N+](=O)[O-])c1nnc2n1CCCCC2	MCULE-8623880875,PC-id_4054621,EMOLS-id_317333030	429.428	ZHXDKNVIXQNMFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128974
O(c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)C(=O)c1cc([N+](=O)[O-])ccc1	PC-id_5998958	429.428	ZHXDKNVIXQNMFW-QGOAFFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-128975
CCCC1=C(OCCCN(C(=O)C(N)(C)C)C=O)C=Cc2c(C1)onc2C(F)(F)F	PC-id_142855936	429.433	RCMXDPWVHVGIKM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-128976
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccc(cc3)F)CCn12	PC-id_45203316,MCULE-9846488914,EMOLS-id_20543043	429.438	IWTNHUQIBCFQIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128977
CC(C(C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)O)C	SCHEMBL18353530	429.438	LOFBJHVMQNLTIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128978
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2	CoCoCo_1333468,ZINC22_12024214,PC-id_42358443,CoCoCo_1333467	429.438	IWTNHUQIBCFQIG-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128979
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc(F)cc1)CC2	ZINC22_12024210,PC-id_42358439,CoCoCo_1333466,CoCoCo_1333465	429.438	IWTNHUQIBCFQIG-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128980
COC(C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)(C)C	SCHEMBL18353458	429.438	URSAFJGYZBKHSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128981
COCC1(CO)CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18352958	429.438	ZZVNEWBDUOKCDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128982
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4cccc(F)c4F)CCn23)c1	ZINC22_14964509,CoCoCo_1452070,CoCoCo_1452069,MCULE-2042954845,EMOLS-id_20622635,PC-id_26324615	429.438	VVFDKSHHHTYJOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128983
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4ccc(F)c(F)c4)CCn23)c1	MCULE-8302520337,PC-id_42272943,EMOLS-id_20505771,CoCoCo_1279588,CoCoCo_1279587,ZINC22_11909122	429.438	YOFVGDDASWXDSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128984
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4c(F)cccc4F)CCn23)c1	MCULE-3910080326,CoCoCo_1410117,CoCoCo_1410116,PC-id_26358325,ZINC22_15002490,EMOLS-id_20594619	429.438	PBWVVNSZIZZMNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128985
Fc1ccc(F)c(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1F	PC-id_28955575,CoCoCo_1237295,ZINC22_20452347,CoCoCo_1237296,EMOLS-id_232720468,MCULE-5256122938	429.438	YBSMSLJEKLHGNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128986
Fc1c(CN2CCn3c(nnc3CCNC(=O)c3ccc(F)cc3)CC2)c(F)ccc1	PC-id_28139521	429.438	WIMLUSYGPQMNFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128987
FC(F)(F)c1ccc(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)cc1	EMOLS-id_20445237,CoCoCo_1193617,ZINC22_19841456,CoCoCo_1193618,MCULE-8322219414,PC-id_28395651	429.438	WGOGLFAOMOWUBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128988
FC(F)(F)c1cc(Nc2c(C(=O)NCc3n4CCCCCc4nn3)cccc2)ccc1	PC-id_60520574	429.438	DFTDQEZFDNDRQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128989
n12CCN(CCc1nnc2CNC(=O)Cc1cccc(F)c1)Cc1ccc(cc1F)F	CoCoCo_1125858,CoCoCo_1125857,EMOLS-id_20395564,PC-id_30852508,MCULE-7549994612,ZINC22_23129039	429.438	GKEVFARPFLKBBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128990
OC([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)NC1=CC=C(C(C1)F)F)C)C1CC1	PC-id_139471106,SCHEMBL21337102	429.438	URDNVOKHCIYVLW-MFOWVQHXSA-N	00100000100011000101000000000010000000000000000000000000	31-01-128991
OC[C@@H]1NS(=O)(=O)c2c(O[C@H]1C(C)C)c(n(c2)C)C(=O)Nc1ccc(c(c1)F)F	SCHEMBL18352854	429.438	KOFXGAIQTRYPCA-BBRMVZONSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128992
OC[C@H]1NS(=O)(=O)c2c(O[C@@H]1C(C)C)c(n(c2)C)C(=O)Nc1ccc(c(c1)F)F	SCHEMBL18353425	429.438	KOFXGAIQTRYPCA-CZUORRHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-128993
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)N2CCOCC2)cc1	PC-id_42854945	429.445	OCVJYUGVWHXICZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128994
NC(=O)C1CCCN(C1)C(=O)c1cn2CCN(CCc2n1)C(=O)c1ccc(O)c(F)c1	EMOLS-id_331129405	429.445	HRTPTLHGUYKMDD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128995
NC(=O)[C@H]1CCCN(C(=O)c2cn3c(n2)CCN(C(=O)c2ccc(O)c(F)c2)CC3)C1	ZINC22_1875251412	429.445	HRTPTLHGUYKMDD-AWEZNQCLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128996
NC(=O)[C@@H]1CCCN(C(=O)c2cn3c(n2)CCN(C(=O)c2ccc(O)c(F)c2)CC3)C1	ZINC22_1875251413	429.445	HRTPTLHGUYKMDD-CQSZACIVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-128997
s1c2CCCCCc2c(c1NC(=O)COc1c([N+](=O)[O-])ccc(c1)C(=O)OC)C#N	PC-id_55563431	429.446	LLPMHNRCCHDHBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128998
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(OC)cc1)C#N	PC-id_41932160	429.446	UWHCCLHTJSTMCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-128999
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1c([N+](=O)[O-])cccc1)C#N	PC-id_41810575	429.446	SFODHLOZFRVEEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129001
c1(NC(=O)c2ccc(Cn3ncc(N(=O)=O)c3)o2)sc2c(CCCCC2)c1C(=O)N	PC-id_17020821,CoCoCo_6580090,TIMTEC523995,EMOLS-id_4113887,ZINC22_2781115,MCULE-1850819157	429.45	WIFRSANTJVZZOB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129002
c1(c2CCCCCc2sc1NC(=O)c1n(C)nc(C(F)(F)F)c1)C(=O)OC(C)C	CoCoCo_6596889,EMOLS-id_4113917,SPECS-id_AK-968/15603497,MCULE-8694776858,PC-id_1003119,ZINC22_659829	429.456	LQAOTALGWLIYRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129003
c1(NC(=O)Cn2c(C)cc(C(F)(F)F)n2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_6256519,PC-id_1741377,MCULE-1471113997,ZINC22_2082130,TIMTEC599909,EMOLS-id_4113913,SPECS-id_AK-968/12023029	429.456	ZOWXXPQURYLOHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129004
CC(C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)C	SCHEMBL18353529	429.456	APJVTDCLXMRELI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129005
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3c(cccc3F)F)CCn12	PC-id_45181074,MCULE-5101181692,EMOLS-id_20446161	429.463	DNMXICDXTMKNSV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129006
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccc(c(F)c3)F)CCn12	EMOLS-id_20547837,MCULE-1360467120,PC-id_45166620,ChEMBL-DNDi_CHEMBL37917316	429.463	DPPCKZDMLOPGIT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129007
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2	ZINC22_12025221	429.463	DPPCKZDMLOPGIT-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129008
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2	ZINC22_12025225	429.463	DPPCKZDMLOPGIT-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129009
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2	ZINC22_19841914,CoCoCo_1194918,CoCoCo_1194917	429.463	DNMXICDXTMKNSV-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129010
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2	ZINC22_19841916,CoCoCo_1194920,CoCoCo_1194919	429.463	DNMXICDXTMKNSV-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129011
CCOC(=O)c1cc2c(n1Cc1cc(OC)c(c(c1)OC)OC)C(=O)/C(=C/O)/CCC2	PC-id_145189626	429.463	VOAJJFPGCLPRBO-DTQAZKPQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129012
CCOC(=O)c1cc2c(n1Cc1cc(OC)c(c(c1)OC)OC)C(=O)C(=CO)CCC2	SCHEMBL18250018,PC-id_122705204	429.463	VOAJJFPGCLPRBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129013
Fc1c(CN2CCn3c(nnc3CC2)C(NC(=O)c2ccoc2)C(C)C)cccc1F	PC-id_45165862	429.463	IKUVWMIKRYOSBT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129014
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNC(=O)c1c(F)cccc1)C#N	PC-id_46789230	429.465	FMLJBSRIKADNSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129015
COC(=O)[C@@H](N1Cc2cnnn2C[C@@H](C1=O)NC(=O)OC(C)(C)C)Cc1ccccc1	PC-id_101546294	429.47	MMECSJQRJFCMRO-IRXDYDNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129016
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)Cc2ccc(C#N)cc2)CCC3)cc1	ZINC22_1565556021,EMOLS-id_313763016	429.471	URDONCGEXUVLEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129017
[P+](CC1n2c(noc2=O)CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_60066787	429.471	RZFVYDDOOZHGAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129018
CCCC(=O)c1nn(c2c1CCCC(=C2/N=C(/c1ccc(cc1)C(F)(F)F)C)C=C)C	SCHEMBL12698425	429.478	YQDLLURIRJTJRF-RWPZCVJISA-N	00000000100000110111000000000010000000000000000000000000	31-01-129019
CCCC(=O)c1nn(c2c1CCCC(=C2N=C(C)c1ccc(cc1)C(F)(F)F)C=C)C	PC-id_88951314	429.478	YQDLLURIRJTJRF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-129020
COCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(F)c1	BindingDB-id_731708,PC-id_121358881,SCHEMBL17777954	429.485	JEFNYCKEFKUYCH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-129021
COc1ccccc2-c1c(cc2S(=O)(=O)NCCc1ccc(OCC(=O)O)cc1)C	CHEMBL166520,PC-id_10477732	429.486	AFXSVCGKHDCNTF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-129022
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCOCC1)c2)Cc1cccc(F)c1	MCULE-1404635482,PC-id_53007960,EMOLS-id_32632962	429.488	RJNNCJDNZPJWRY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129023
C/C=C/1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)F)CNC(=O)OC(C)(C)C	PC-id_143188779	429.488	CMXIZNKFHSTZAD-UBKPWBPPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129024
CCC(C)NC(=O)CCNC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-3277968670,PC-id_46049836,EMOLS-id_25387384	429.488	XNYPOTWKWSRATN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129025
CC(C)CNC(=O)C(C)NC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	PC-id_46049797,MCULE-8347160204,EMOLS-id_25387754	429.488	JUWFBTPFWPRYHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129026
CCC(C)NC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-4062558864,PC-id_46049818,EMOLS-id_25388200	429.488	RQVPUWXZOBULIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129027
CC(C)CNC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-9007566715,PC-id_46049813,EMOLS-id_25387482	429.488	OSOLOQGAQLHUJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129028
CC[C@H](NC(=O)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_93332270	429.488	XNYPOTWKWSRATN-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129029
CC[C@@H](NC(=O)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_93332271	429.488	XNYPOTWKWSRATN-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129030
CC[C@H](NC(=O)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)C	PC-id_93332512	429.488	RQVPUWXZOBULIF-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129031
CC[C@@H](NC(=O)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)C	PC-id_93332513	429.488	RQVPUWXZOBULIF-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129032
CC(CNC(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)C	PC-id_93332414	429.488	JUWFBTPFWPRYHT-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129033
CC(CNC(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)C	PC-id_93332415	429.488	JUWFBTPFWPRYHT-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129034
CCOC1=CCn2c(C=C1N(CC)CC)nn(c2=N)CC(=O)c1cc(F)cc(c1)OC	PC-id_143842622	429.488	FUDRTGPYMQHRHA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-129035
Fc1cccc(Cn2nc3CCCCC(C(=O)NCCCN4CCCC4=O)n3c2=O)c1	MCULE-5028253686,EMOLS-id_207869752	429.488	DYRDBRBIPPDKHV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129036
Brc1c(C(O)c2sc3c(CCCCC3)c2)cc(Br)c(c1)C	PC-id_81473773	430.197	VDYJIXXNNJSCMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129429
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCCN2CCOCC2)cc1	PC-id_50797868	429.488	NKEZCSFRFTZYCW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129037
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)NCC)CC)cc1	PC-id_46049828	429.488	ITWRXZPQEKPJDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129038
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)N(CC)CC)cc1	PC-id_46159889	429.488	BMGHZJYQXNKPGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129039
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCC(C)C)cc1	PC-id_46159948	429.488	SLOBSMDVBKBOQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129040
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)N(CC)CC)C)cc1	PC-id_46049526	429.488	KULXBLYNVWNTGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129041
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NC(CC)C)C)cc1	PC-id_46049802	429.488	TVTFLPHVLAKDLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129042
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)NCCC(C)C)cc1	PC-id_46159885	429.488	HXTHPILMUOYVDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129043
Fc1c(NC(=O)C2CCCCC2)cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55722227	429.488	BPWQURTWAQOIEG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129044
ON=C1CCN(C(=O)c2c1ccn2C)CCCN1CCN(CC1)Oc1ccc(cc1)F	PC-id_142638783	429.488	OPDNKMYUVOUZQO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129045
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)N1CCOCC1	ZINC22_1188170,EMOLS-id_177526550,MCULE-9672004233,PC-id_1350356	429.489	VFSPISOWDIEKKG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129046
c1(NC(=O)C(=O)NN=Cc2ccccc2O)sc2c(CCCCC2)c1C(=O)OCC	MCULE-6470786315,BindingDB-id_195111	429.489	KXIQFZGBSQNPCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129047
CCOC(=O)c1c(NC(=O)C(=O)NN/C=C/2C=CC=CC2=O)sc2c1CCCCC2	BindingDB_PC-id_5775732,PC-id_5775732	429.489	INZFCOCOPZNBFR-OUKQBFOZSA-N	00000000100011000100000000000010000000000000000000000000	31-01-129048
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2O)sc2c1CCCCC2	PC-id_135497997,ChEMBL-DNDi_CHEMBL2003688,STOCK4S-38051,EMOLS-id_26339625	429.489	KXIQFZGBSQNPCA-WSDLNYQXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129049
CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)C(=O)N/N=Cc1ccccc1O	PC-id_136843425	429.489	KXIQFZGBSQNPCA-UUYOSTAYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129050
COC(=O)c1cc(c2-c1ccccc2)C(=C1C=[NH+]c2c1cccc2)c1c[nH]c2c1cccc2	PC-id_101264189	429.489	JXBHSFTZHABUID-UHFFFAOYSA-O	00000011100000100110000001101010000000000000000000000000	31-01-129051
OC(=O)CCc1c(/C=C/2C(=O)Nc3c2cc(cc3)S(=O)(=O)N)[nH]c2c1CCCCC2	PC-id_60113725,SCHEMBL6696777	429.489	OAGDGYNYMVMXNI-WJDWOHSUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-129052
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)OC)C)C#N	PC-id_24366254	429.489	DHYCLFRWHUKKLQ-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-129053
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCNC(=O)c1occc1)C)C#N	PC-id_55419746	429.489	SMISIAISSYGNBB-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-129054
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(O)ccc1)C(=O)OCC	PC-id_19659859	429.489	PXCZNFOYTVOFAV-WSDLNYQXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129055
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(O)ccc1)C(=O)OCC	PC-id_73634335	429.489	PXCZNFOYTVOFAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129056
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NNC=C1C(=O)C=CC=C1)C(=O)OCC	PC-id_6785351	429.489	INZFCOCOPZNBFR-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-129057
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN/C=C/1C(=O)C=CC=C1)C(=O)OCC	PC-id_73945803	429.489	INZFCOCOPZNBFR-SEYXRHQNSA-N	00000000100011000100000000000010000000000000000000000000	31-01-129058
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc2OCOc2cc1	PC-id_24643152	429.489	NLWYWQYVIKWOHU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-129059
S(C(C(=O)NC1CCc2n(N(C1=O)CC(=O)O)ccc2)Cc1ccccc1)C(=O)C	PC-id_76494492	429.489	RUUGMGYOGGMAMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129060
S([C@@H](C(=O)N[C@H]1CCc2n(N(C1=O)CC(=O)O)ccc2)Cc1ccccc1)C(=O)C	PC-id_57219200	429.489	RUUGMGYOGGMAMG-ZWKOTPCHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129061
S(=O)(=O)(N)c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)O)C(=O)Nc2cc1	PC-id_72651816	429.489	OAGDGYNYMVMXNI-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-129062
c12cnn(C)c1ncn(CC(=O)Nc1sc3c(CCCCC3)c1C(=O)OCC)c2=O	ZINC22_20607115,MCULE-3224334777,EMOLS-id_8873990,PC-id_19617197	429.493	QDDZDYVAKVCSGA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129063
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3n[nH]c4CCCCCc34)cc2)c1C	EMOLS-id_335142577,MCULE-4648208039	429.493	XRVDMKSMBSZJLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129064
N#CC(=c1sc(=Cc2ccco2)c(=O)n1c1ccccc1)c1nnc2n1CCCCC2	MCULE-7010923934,PC-id_3626105,EMOLS-id_300769853	429.494	UQDOSLIPIAOGKX-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-129065
N#C/C(=c
/s/c(=Cc2ccco2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	ZINC22_33729360,PC-id_2309033	429.494	UQDOSLIPIAOGKX-HYMVUHNRSA-N	00000000101000110101100000000010000000000000000000000000	31-01-129066
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)/c/1=C/c1occc1)c1ccccc1	PC-id_2309035	429.494	UQDOSLIPIAOGKX-CZAWPTCYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-129067
O=C1CCc2c(C)nnn2CCC(=O)NC(CSSC(N1)C(=O)C)C(=P)C	PC-id_58488904,SCHEMBL12239873	429.497	VSLAWOABGVFCDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129068
Fc1ccc(cc1)NS(=O)(=O)CCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	PC-id_139608180	429.504	GONGVAVOTZOVCD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-129069
CCCCCCc1c2-c(c(c1NC(=O)C)OC(=O)OCC)ccc(cc2)CC(=O)OC	PC-id_17776159,SCHEMBL8527956	429.506	WAARYLMBEKCNNB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-129070
CCNC(=NCc1scc(n1)C(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111616589	429.506	QZIHQVDTTZZQTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129071
CCNC(=NCCc1scc(n1)C(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111687728	429.506	IMGWSOKEALPTFN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129072
CCOC(=O)c1n(Cc2ccccc2)c(c2c1OCC(CO2)(CC)CC)C(=O)OCC	PC-id_59089977,SCHEMBL2930130	429.506	IAUZXSCJQXRILS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129073
CN=C(NCCc1scc(n1)C(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111688998	429.506	NWJVKJSVFKQXLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129074
O=C1N(CCCCc2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)C(=O)c2c1cccc2	PC-id_11743370	429.508	ZEJQVFQJSVSWTA-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-129075
O=C1N(CCCCc2c3-c(c(c2)C(=O)OC)cc(C(C)C)ccc3)C(=O)c2c1cccc2	PC-id_11743371	429.508	CSSLDSUUGPLNAI-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-129076
O=C1N(CCCCCCCc2c3-c(c(c2)C(=O)OC)ccccc3)C(=O)c2c1cccc2	PC-id_10025651	429.508	PVIFAWBWMIHTQG-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-129077
c1(C(=O)N2CCN(CC2)Cc2ccc(c(OC)c2OC)OC)c2CCCCCc2on1	PC-id_71704426,MCULE-7243118065,STOCK7S-41306,EMOLS-id_48564656,ZINC22_95475607	429.509	DEYXPLJYOHCTEP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129078
CCOc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCC2	PC-id_3421814,GD-id_ZINC00709600	429.509	BYUNIXCXMTZCHJ-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-129079
COc1ccccc1NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCC2	PC-id_27526732,GD-id_ZINC17097008	429.509	ZVLRETZLXYSJAV-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-129080
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)Nc1ccc(OC)cc1	PC-id_27526715	429.509	QJXBZJJKBXHNMB-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-129081
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_27526733	429.509	KILQNIBTHJEJRD-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-129082
Cc1c(ccc(c1)c1nn(c(c1)COC)CC(=O)N1CCc2c(CC1)sc(n2)N)F	SCHEMBL15001879,PC-id_89607808	429.511	PYKJVTVBBJNECT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129083
Cc1sc(=O)n(CC(=O)N(C)Cc2nnc3n2CCCCC3)c1c1ccc(F)cc1	EMOLS-id_31957927,ZINC22_48341432,MCULE-5855892225,PC-id_47035817	429.511	JUSFYXXZIYVSFV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129084
[O-][N+](=O)c1ccc(cc1)Cn1c(=O)n(c2c1C=CCC=C2)Cc1ccc(cc1)C(C)(C)C	PC-id_143309587	429.511	SQFPPRMYZJIPPC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-129085
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(CCn12)C(=O)c1cc(oc1C)C	EMOLS-id_232784866,PC-id_45167417,MCULE-1419473327	429.513	OQDXATXWXQQRAA-UHFFFAOYSA-N	00000010101000000101000000000010000000000000000000000000	31-01-129086
c1(NC(=O)c2cc3c(ccc(c3)N(=O)=O)s2)sc2c(CCCCC2)c1C(=O)NC	CoCoCo_5058684,PC-id_18561009,MCULE-2207730364,ZINC22_9599758,EMOLS-id_30116659	429.513	VUHDVLVLNVBZPM-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-129087
Cc1cc(C(=O)N2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c(C)o1	ZINC22_12127559	429.513	OQDXATXWXQQRAA-VQIMIIECSA-N	00000010101000000101000000000010000000000000000000000000	31-01-129088
Cc1cc(C(=O)N2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c(C)o1	ZINC22_12127571	429.513	OQDXATXWXQQRAA-APWZRJJASA-N	00000010101000000101000000000010000000000000000000000000	31-01-129089
Cc1cc(C(=O)N2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c(C)o1	ZINC22_12127577	429.513	OQDXATXWXQQRAA-QFBILLFUSA-N	00000010101000000101000000000010000000000000000000000000	31-01-129090
Cc1cc(C(=O)N2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c(C)o1	ZINC22_12127584	429.513	OQDXATXWXQQRAA-LPHOPBHVSA-N	00000010101000000101000000000010000000000000000000000000	31-01-129091
CCCCCCOc1ccc(cc1)C(=O)NNC(=O)Cn1nc2n(c1=O)CCCCC2	MCULE-3500559021,CoCoCo_4693988,EMOLS-id_17212470,PC-id_32287101	429.513	KEIHWTLRNZSQPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129092
CCOc1cc(ccc1O)CN1CCc2n(CC1)c(nn2)CCNC(=O)C1CCCO1	EMOLS-id_20530049,PC-id_45200336,MCULE-8654683773	429.513	DEJSJEOGBWYFCO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129093
CCOc1cc(ccc1O)CN1CCc2n(CC1)c(nn2)CCNC(=O)[C@@H]1CCCO1	CoCoCo_1314687,CoCoCo_1314689,PC-id_29210518	429.513	DEJSJEOGBWYFCO-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129094
CCOc1cc(ccc1O)CN1CCc2n(CC1)c(nn2)CCNC(=O)[C@H]1CCCO1	PC-id_29210522,CoCoCo_1314688,CoCoCo_1314686	429.513	DEJSJEOGBWYFCO-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129095
COc1cc(ccc1OC)CN1CCc2n(CC1)c(nn2)CCNC(=O)[C@@H]1CCCO1	CoCoCo_1211284,CoCoCo_1211286	429.513	CGSQKILKBVNKJJ-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129096
COc1cc(ccc1OC)CN1CCc2n(CC1)c(nn2)CCNC(=O)[C@H]1CCCO1	CoCoCo_1211285,CoCoCo_1211283	429.513	CGSQKILKBVNKJJ-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129097
COc1cccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)c1OC	MCULE-9406588422,EMOLS-id_20560787,PC-id_45207377	429.513	VYHODTPFZVIISE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129098
COc1cccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c1OC	ZINC22_20999589,CoCoCo_1359587,CoCoCo_1359589,PC-id_29258936	429.513	VYHODTPFZVIISE-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129099
COc1cccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c1OC	ZINC22_20999590,CoCoCo_1359588,PC-id_29258937,CoCoCo_1359586	429.513	VYHODTPFZVIISE-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129100
COc1ccc(CC(=O)N2CCc3nnc(CCNC(=O)C(C)C)n3CC2)cc1OC	ChEMBL-DNDi_CHEMBL19569864,MCULE-5249550566,ZINC22_14882862,EMOLS-id_232715166,PC-id_26278773	429.513	UOQPKNZKAMKBSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129101
COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)c(OC)c1	MCULE-1486071510,EMOLS-id_20429969,PC-id_45177369	429.513	JMLFECXMVYSTNE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129102
COc1ccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c(OC)c1	CoCoCo_1172547,CoCoCo_1172549,PC-id_28389600,ZINC22_19836344	429.513	JMLFECXMVYSTNE-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129103
COc1ccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(OC)c1	PC-id_28389595,CoCoCo_1172550,ZINC22_19836341,CoCoCo_1172548	429.513	JMLFECXMVYSTNE-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129104
COc1cccc(OC)c1CN1CCc2nnc(CCNC(=O)C3CCCO3)n2CC1	PC-id_45210808,MCULE-1451057717,EMOLS-id_20575419	429.513	PNBVENXMMFXJFH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129105
COc1cccc(OC)c1CN1CCc2nnc(CCNC(=O)[C@H]3CCCO3)n2CC1	CoCoCo_1381462,CoCoCo_1381460,ZINC22_14991405,PC-id_26346325	429.513	PNBVENXMMFXJFH-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129106
COc1cccc(OC)c1CN1CCc2nnc(CCNC(=O)[C@@H]3CCCO3)n2CC1	PC-id_26346323,CoCoCo_1381461,ZINC22_14991403,CoCoCo_1381463	429.513	PNBVENXMMFXJFH-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-129107
COc1cc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)cc(OC)c1	MCULE-1353685453,PC-id_45174934,EMOLS-id_20419468	429.513	LWSHTGDIBAQWSC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129108
COc1cc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc(OC)c1	CoCoCo_1158111,ZINC22_19743497,CoCoCo_1158109	429.513	LWSHTGDIBAQWSC-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129109
COc1cc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)cc(OC)c1	CoCoCo_1158112,ZINC22_19743494,CoCoCo_1158110	429.513	LWSHTGDIBAQWSC-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-129110
n12CCC(CCc1nn(CCOc1ccccc1)c2=O)C(=O)NCCN1CCOCC1	MCULE-3543995863,EMOLS-id_207876662	429.513	JGWPHYWNHIZQPI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129111
O1CCN(CC1)CCOc1cc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56122005	429.513	LAPFREYGLPZQOD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129112
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(CN(C(=O)OC(C)(C)C)C)ccc1	PC-id_55850044	429.513	QIEWHPCWZGGWDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129113
O=c1n2CCCCCc2nn1CC(=O)Nc1c(CN(C(=O)OC(C)(C)C)C)cccc1	PC-id_56156820	429.513	FHOLNVWJJHHCSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129114
O=c1n2CCCCCc2nn1CC(=O)NC(CC)c1c(OCC(=O)N(C)C)cccc1	PC-id_55900920	429.513	BAJQXFWPWZXBRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129115
OC[C@@H](N1CC[C@@H](OCc2cn(CCCC1=O)nn2)CN(C(=O)c1ccccc1)C)C	PC-id_138483844,SCHEMBL20831480	429.513	HUKLZRHATOZHFK-FXAWDEMLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129116
O=C(NCCc1n2CCCCCc2nn1)c1cc(OC)c(OCC(=O)NC(C)C)cc1	PC-id_55790797	429.513	ZWAMCYRNXZXAPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129117
O=C(NCCc1n2CCCCCc2nn1)CNC(=O)c1cc(OCC)c(OCC)cc1	PC-id_55535666	429.513	IPESWAGARCXHHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129118
c12C(=O)N(CCCn1nc(C(=O)N1CCN(CC1)c1ccccc1)c2)Cc1ccccc1	EMOLS-id_32845982,MCULE-2651812333,PC-id_50798067	429.514	DFMQRSMAYCMPJA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129119
C1CN(CCn2c1ncc2C(=O)NCCOc1ccccc1)Cc1cc2c(cc1)[nH]cc2	PC-id_134808931	429.514	OGFLAXFIGAZBQZ-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-129120
C1CN(CCn2c1ncc2C(=O)NCCOc1ccccc1)Cc1c[nH]c2ccccc12	PC-id_134809250	429.514	YUJFEEXZJYVDIR-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-129121
n1c(CCc2ccccc2)nn2CCN(CCc12)C(=O)c1cccc(c1)N1CCCC1=O	MCULE-2231047610,ZINC22_2356156254,EMOLS-id_337790033	429.514	YWFPEYWGGQLZOP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129122
c1(sc2c(CCCCC2)n1)NC(=O)c1ccc(=O)n(CC(=O)Nc2sccn2)c1	EMOLS-id_135381,MCULE-9568781908,ZINC22_19749321,PC-id_92634578,BDB-26421830	429.516	NDAWSYZBAQBYCZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129123
COCCOc1ccc(NC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cn1	MCULE-8690380064,EMOLS-id_31979792,PC-id_47041578,ZINC22_58157233	429.516	ZIMMYRSZKLOTBV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-129124
s1c2CCCCCc2c(c1NC(=O)C(Sc1oc(nn1)Cn1ncnc1)C)C#N	PC-id_78819943	429.519	DEDMFNQBXFBHPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129125
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)C(C(F)(F)F)C	PC-id_109378422	429.526	YBYVHQXYBCIMNX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-129126
CCOC(=O)/C(=C/c1cc(c2-c1cc(ccc2C)C(C)C)S(=O)(=O)OC(C)C)/C#N	PC-id_102493967	429.529	IKCNRSRJXYGUSR-VXLYETTFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-129127
COC(=O)c1c(NC(=O)COc2cccc3c2OC(C)(C)C3)sc2c1CCCCC2	CoCoCo_2983674,EMOLS-id_43744028,ZINC22_3263044,PC-id_2379617,MCULE-9962778904	429.529	TXZCAJOPZCUQHG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-129128
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_4387365	429.529	VPDQXRVRWWONCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129129
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_6086964	429.529	VPDQXRVRWWONCH-ACCUITESSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129130
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1cc(OC)c(OC)cc1)C(=O)OC	PC-id_4410074	429.529	KQEVLUWTXPQGFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129131
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OC)cc1)C(=O)OC	PC-id_6102964	429.529	KQEVLUWTXPQGFV-ACCUITESSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129132
Cc1ccc(cc1)S(=O)(=O)N/C=C(/c1ccc(cc1)OC)c1c2-c(ccccc2)cc1	PC-id_134950659	429.531	NCLJPJNUQRDURE-ITYLOYPMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-129133
CC(C)CN1CCN(CC1)C(=O)C1CCCCc2nn(Cc3cccc(F)c3)c(=O)n12	EMOLS-id_207869776,MCULE-7785888745	429.531	PBHYFENXWAGREY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129134
CCn1nc2CCC(CCn2c1=O)C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1	EMOLS-id_207877059,MCULE-7884740892	429.531	HAIGHYAGNPWTAP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129135
C=N/C(=CC(=C(F)/C)c1cnn2c1CCCCC2)/NC(=O)[C@H]1CCC[C@H](C1)NC(=O)C	SCHEMBL19719175	429.531	OCFCIUJGRXCXLA-MQBKOVJYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-129136
COc1ccccc1/C(=C/NS(=O)(=O)c1ccc(cc1)C)/c1ccc2-c1ccccc2	PC-id_102367276	429.531	QHCNFLWIBZIXOE-XIEYBQDHSA-N	00000010100000110110000000000010000000000000000000000000	31-01-129137
COc1ccccc1C(=CNS(=O)(=O)c1ccc(cc1)C)c1ccc2-c1ccccc2	PC-id_142734097	429.531	QHCNFLWIBZIXOE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-129138
COc1ccc(cc1)C(=CNS(=O)(=O)c1ccc(cc1)C)c1ccc2-c1ccccc2	PC-id_142734116	429.531	NCLJPJNUQRDURE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-129139
N#Cc1c(NC(=O)CC[N@@H+](CC(=O)Nc2ccc(cc2)F)C)sc2c1CCCCC2	PC-id_25692046,GD-id_ZINC13057322	429.531	YYWKWGWSYZSKOP-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-129140
N#Cc1c(NC(=O)[C@H]([N@H+](CC(=O)Nc2cccc(c2)F)C)C)sc2c1CCCCC2	PC-id_25534958,GD-id_ZINC12819738	429.531	QMIPMKDXUIDWFW-CQSZACIVSA-O	00000000100000110100000000000010000000000000000000000000	31-01-129141
s1c2c(CCCCC2)c(c1NC(=O)c1sc(nc1C)c1ccc(F)cc1)C(=O)N	PC-id_55386719	429.531	IFGANASOXZAKCQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129142
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+](CC(=O)Nc1cc(F)ccc1)C)C)C#N	PC-id_25534961	429.531	QMIPMKDXUIDWFW-AWEZNQCLSA-O	00000000100000110100000000000010000000000000000000000000	31-01-129143
s1c2c(CCCCC2)c(c1NC(=O)C([NH+](CC(=O)Nc1cc(F)ccc1)C)C)C#N	PC-id_74459264	429.531	QMIPMKDXUIDWFW-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-129144
C1(CC(=O)N(C)C1c1cccc(OC)c1OC)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323395773,MCULE-5039017131	429.532	CKNBNLOKPHENNY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129145
c1(NC(=O)CCC(=O)Nc2ccc(cc2)CC(=O)OCC)sc2c(CCCCC2)n1	EMOLS-id_335049675,MCULE-3898349964	429.532	RBKOXDUDLGHGRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129146
c1(NC(=O)CCC(=O)Nc2cccc(c2)C(=O)OCCC)sc2c(CCCCC2)n1	EMOLS-id_335028944,MCULE-7602901444	429.532	HOEVKFQFEOVVKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129147
c1(NC(=O)CCC(=O)Nc2ccc(cc2)C(=O)OCCC)sc2c(CCCCC2)n1	EMOLS-id_335039711,MCULE-5108053425	429.532	NZLZDRXBOWPOHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129148
c1(NC(=O)CCC(=O)Nc2ccc(cc2)C(=O)OC(C)C)sc2c(CCCCC2)n1	EMOLS-id_335066051,MCULE-5085279689	429.532	LSNUPJMPOVCKBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129149
c1(NC(=O)CCC(=O)Nc2cccc(c2)C(=O)OC(C)C)sc2c(CCCCC2)n1	EMOLS-id_335077576,MCULE-1777585817	429.532	GWJHMXBISWDTAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129150
c1(NC(=O)CCC(=O)NCc2ccc(cc2)C(=O)OCC)sc2c(CCCCC2)n1	MCULE-9708190353,EMOLS-id_335039682	429.532	YTGAPJFHKMDYDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129151
CCNC(=O)COc1ccc(cc1)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_25668292,EMOLS-id_24146012,CoCoCo_4684016,MCULE-1649357453	429.532	KWTGLKOIHBYEFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129152
CCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1sc2c(c1)CCCCCC2	MCULE-1401931779,EMOLS-id_43868445,PC-id_24643151,CoCoCo_3415952	429.532	CLCOAZMEXLJMMP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129153
COC(=O)c1c(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)sc2c1CCCCC2	CoCoCo_3685780,MCULE-8356370257,ZINC22_12561800,EMOLS-id_16708439,PC-id_25359447	429.532	PDNAIAGRKMVFDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129154
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCNC(=O)OCc1ccccc1	PC-id_55823184	429.532	NZFNREPJXZBZCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129155
s1c2CCCCCc2cc1C(=O)NNC(=O)CC(NC(=O)C)c1ccc(OC)cc1	PC-id_43018956	429.532	LAVKLNUVPBXIKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129156
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1ccc(OC(C)C)cc1	PC-id_24554113	429.532	BYBPJKCIGJVMJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129157
s1c2c(CCCCC2)c(c1NC(=O)CC(NC(=O)C)c1ccc(OC)cc1)C(=O)N	PC-id_55487341	429.532	FNLAAFUMVKPCTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129158
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc(OC)c(OC)c(OC)c1)C)C#N	PC-id_55430437	429.532	RAACXGKUSSEZID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129159
s1c2CCCCCc2c(c1NC(=O)C(N(Cc1oc(c(c1)C(=O)OC)C)C)C)C#N	PC-id_78828907	429.532	FRSGEPPOKUVNBF-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-129160
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCCN(C1)C(=O)c1occc1	PC-id_46523675	429.532	KDFIUJNFYSZXNV-UHFFFAOYSA-N	00000000101010000100000000000010000000000000000000000000	31-01-129161
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1ccc(OCC)cc1	PC-id_25444135	429.532	OZHLAPNXOGCXAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129162
s1c2CCCCCCc2nc1NC(=O)C1CN(C(=O)C1)c1cc(OC)c(OC)cc1	PC-id_56021854	429.532	VNGXHERIGOERLJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129163
S(=O)(=O)(NC)c1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCCO)/C(=O)Nc2cc1	PC-id_60113720	429.532	CLUOFOXTEDBHDR-AQTBWJFISA-N	00000010100000100100000000001010000000000000000000000000	31-01-129164
S(=O)(=O)(NC)c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCO)C(=O)Nc2cc1	PC-id_72651812	429.532	CLUOFOXTEDBHDR-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-129165
c1(C(=O)NCCN(C)S(=O)(=O)C)cn2c(CCN(CC2)C(=O)C(C)(C)OCC)n1	MCULE-9648173587,ZINC22_1875248826,EMOLS-id_331151148	429.534	QVQZVMXHYZMGIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129166
CN=C(NCc1nnc2n1CCCCC2)NCC(c1ccc(cc1)F)N1CCOCC1	PC-id_111312076	429.534	HOJNLGAOIKKTMJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129167
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1ccc(cc1)S(=O)(=O)N	MCULE-2512221992,CoCoCo_4195469,EMOLS-id_13567376,PC-id_22108841	429.534	NNQNSHQCGZDPCG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129168
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(S(=O)(=O)N)ccc1	PC-id_30286782	429.534	FRFMVYPNWUJBDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129169
c1(c2CCCCc2cs1)C(=O)N1CCn2c(CC1)nnc2CNC(=O)C1CCOC1	PC-id_45241953,MCULE-2618882269,EMOLS-id_20705687	429.536	DASHEVNYHCELQF-UHFFFAOYSA-N	00000010100010000101000000010010000000000000000000000000	31-01-129170
CCN(CC)c1ncc(cc1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)N(C)C	PC-id_91398988	429.536	QHEYXFUHBASYBE-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129171
CSc1ccc(CC(=O)N2CCc3nnc(CNC(=O)C4CCOC4)n3CC2)cc1	EMOLS-id_20518335,MCULE-4680181629,PC-id_45197643	429.536	PFVUIYITZNJVRV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129172
CSc1ccc(CC(=O)N2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)cc1	CoCoCo_1297775,ZINC22_12003318	429.536	PFVUIYITZNJVRV-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129173
CSc1ccc(CC(=O)N2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)cc1	CoCoCo_1297776,ZINC22_12003322	429.536	PFVUIYITZNJVRV-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129174
O=C(NCc1nnc2n1CCN(C(=O)c1scc3c1CCCC3)CC2)[C@@H]1CCOC1	ZINC22_14988701,CoCoCo_1578981	429.536	DASHEVNYHCELQF-CQSZACIVSA-N	00000010100010000101000000010010000000000000000000000000	31-01-129175
O=C(NCc1nnc2n1CCN(C(=O)c1scc3c1CCCC3)CC2)[C@H]1CCOC1	ZINC22_14988704,CoCoCo_1578982	429.536	DASHEVNYHCELQF-AWEZNQCLSA-N	00000010100010000101000000010010000000000000000000000000	31-01-129176
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ncccn1)C(=O)OC	PC-id_22199050	429.536	FJJZDEMWRLGBMM-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-129177
S1CCN(CC1)C(=O)c1cc(c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C	PC-id_56345068	429.536	YXCWRKIKQKLHJU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129178
S1CCN(CC1)C(=O)Cc1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56264919	429.536	MBCRTDVPNKKZGQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129179
S(=O)(=O)(NC1CC1)c1ccc(cc1)/C=C/C(=O)NCCc1n2CCCCCc2nn1	PC-id_52588095	429.536	XMHHYPHUGUBUSV-KPKJPENVSA-N	00100000100000110101000000000010000000000000000000000000	31-01-129180
S(=O)(=O)(NC1CC1)c1ccc(cc1)C=CC(=O)NCCc1n2CCCCCc2nn1	PC-id_75875614	429.536	XMHHYPHUGUBUSV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-129181
s1c2CCCCCc2nc1NC(=O)c1c(nn(c1)Cc1ccccc1)c1cccnc1	PC-id_24611773	429.537	DCYIUZBGCGBBQZ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-129182
CC(Cn1c(N)c(c2csc(n2)Cc2nnc3n2CCCCC3)c(=O)n(c1=O)C)C	CoCoCo_4212426,PC-id_17420895	429.539	QAPMVOSGJPCUGO-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-129183
Fc1ccc(cc1)SC1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)n(C)cc2	PC-id_20083216,SCHEMBL6993985	429.551	XZOYJDRAVLSTBH-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-129184
s1c(C(=O)N2CC(CCC2)CNC(=O)Nc2cc(F)ccc2)cc2c1CCCCC2	PC-id_56410353	429.551	POVFXXMZPJUWNJ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-129185
S1N(CCCN2CCC(CC2)C(=O)c2ccc(F)cc2)CCC(=O)c2n(ccc12)C	PC-id_21028210	429.551	CRWWLQWVMAZVHT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129186
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_22200239	429.554	RZAZLBKWLWUHAR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-129187
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(CC(=CC)C)CCn12	MCULE-3252154296,PC-id_75099609	429.556	PCEZKUQSQKQGKE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129188
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(C/C=C(C)/C)CCn12	PC-id_118757040,MCULE-5641561588,EMOLS-id_68902248	429.556	GEYJACLWPSSEMC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129189
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(c(C)c3OC)OC)CCn12	MCULE-2114637385,EMOLS-id_20494213,PC-id_45192191,ChEMBL-DNDi_CHEMBL26728011	429.556	YVSFJZWPHOHEOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129190
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(c(OCC)c3)OC)CCn12	PC-id_45212466,MCULE-4003734656,EMOLS-id_20582597,ChEMBL-DNDi_CHEMBL46214951	429.556	ZHTVQEOWGNMTEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129191
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccccc3OCC)CCn12	PC-id_45199710,EMOLS-id_20527341,MCULE-1012900437,ChEMBL-DNDi_CHEMBL33475819	429.556	ZCQNEANJTQXSSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129192
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(c(C)c3C)OC)CCn12	EMOLS-id_20478477,MCULE-4073731047,PC-id_45188588	429.556	UKFSNBHZBJZKON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129193
c1(c(C)nc(c2ccc(c(OC)c2)OC)s1)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323323679,PC-id_25541352,MCULE-9180801280	429.556	CINZLTAGXHIGGB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129194
c1(NC(=O)Cc2csc(c3ccc(c(OC)c3)OC)n2)sc2c(CCCCC2)n1	MCULE-8257542361,EMOLS-id_320482631	429.556	ZCEZMTXTJZAIIX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129195
c1(NC(=O)CSc2[nH]c3c(cc(cc3)C)n2)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_6827820,EMOLS-id_4114323,MCULE-2372481754,TIMTEC236640,PC-id_17264688,CoCoCo_6827819,ZINC22_17096629	429.556	JGABCSFHWAWXNJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129196
c1(NC(=S)NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C#N	EMOLS-id_2217495,ZINC22_2316307,STOCK2S-75141,PC-id_1932897,MCULE-3037544723,CoCoCo_939391,TIMTEC325022	429.556	NADNFMQERZKEME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129197
Cc1ccc([C@@H](C)CCN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)o1	ZINC22_12450742,CoCoCo_1528316,CoCoCo_1528318	429.556	XUKCNYUQDUBTPA-KRWDZBQOSA-N	00000000101010000101000000000010000000000000000000000000	31-01-129198
Cc1ccc([C@H](C)CCN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)o1	ZINC22_12450744,CoCoCo_1528319,CoCoCo_1528317	429.556	XUKCNYUQDUBTPA-QGZVFWFLSA-N	00000000101010000101000000000010000000000000000000000000	31-01-129199
C/C=C(C)/CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1	CoCoCo_1250117,CoCoCo_1250119,ZINC22_11973981	429.556	PCEZKUQSQKQGKE-LDCDQMDXSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129200
C/C=C(C)/CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1	ZINC22_11973986,CoCoCo_1250113,CoCoCo_1250115	429.556	PCEZKUQSQKQGKE-KCCVMSORSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129201
CC(CCN1CCc2nnc(CCNC(=O)C3CCOCC3)n2CC1)c1ccc(C)o1	PC-id_45233873,EMOLS-id_20672633,MCULE-1298469007	429.556	XUKCNYUQDUBTPA-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-129202
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)Cc1ccccc1)nn2)C	PC-id_134828947	429.556	YKMAHGBTBQAZNA-IPJJNNNSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129203
CCOc1ccccc1CN1CCc2nnc([C@@H](CC(C)C)NC(=O)COC)n2CC1	CoCoCo_1310913,CoCoCo_1310914,ZINC22_20906256,PC-id_29209124	429.556	ZCQNEANJTQXSSL-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129204
CCOc1ccccc1CN1CCc2nnc([C@H](CC(C)C)NC(=O)COC)n2CC1	CoCoCo_1310916,ZINC22_20906258,PC-id_29209126,CoCoCo_1310915	429.556	ZCQNEANJTQXSSL-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-129205
BrC(c1sc2c(CCCCC2)c1)c1c(Br)cc(OC)cc1	PC-id_63443223	430.197	XDGVRULNJYGATD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129430
CCOc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)ccc1OC	CoCoCo_1392329,ZINC22_14994370,CoCoCo_1392328,PC-id_26349768	429.556	ZHTVQEOWGNMTEY-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-129206
CCOc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)ccc1OC	ZINC22_14994367,CoCoCo_1392327,PC-id_26349762,CoCoCo_1392326	429.556	ZHTVQEOWGNMTEY-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129207
COc1ccccc1COCC(CN1CCN(CC1)Cc1nnc2n1CCCCC2)O	EMOLS-id_30254357,MCULE-2328210442,PC-id_45891603	429.556	XNJWXTLNFRZYAU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129208
COc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)c(OC)c1C	ZINC22_20599664,CoCoCo_1262971,CoCoCo_1262970	429.556	YVSFJZWPHOHEOD-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129209
COc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)c(OC)c1C	ZINC22_20599665,CoCoCo_1262972,CoCoCo_1262973	429.556	YVSFJZWPHOHEOD-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-129210
COCc1ccc(C(=O)NCc2nnc3n2CCN(C[C@@H](C)CCC=C(C)C)CC3)o1	CoCoCo_1372436,ZINC22_14988913,PC-id_26343479,CoCoCo_1372438	429.556	FQIQFKBRFOAELE-SFHVURJKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129211
COCc1ccc(C(=O)NCc2nnc3n2CCN(C[C@H](C)CCC=C(C)C)CC3)o1	PC-id_26343481,CoCoCo_1372437,ZINC22_14988914,CoCoCo_1372439	429.556	FQIQFKBRFOAELE-GOSISDBHSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129212
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(CC=C(C)C)CC3)o1	ZINC22_299779558	429.556	GEYJACLWPSSEMC-IBGZPJMESA-N	00000000101000000101000000000010000000000000000000000000	31-01-129213
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(CC=C(C)C)CC3)o1	ZINC22_299779569	429.556	GEYJACLWPSSEMC-LJQANCHMSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129214
COCc1ccc(o1)C(=O)NCc1nnc2CCN(CC(C)CCC=C(C)C)CCn12	MCULE-4928463663,EMOLS-id_20569515,ChEMBL-DNDi_CHEMBL42937911,PC-id_45209399	429.556	FQIQFKBRFOAELE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129215
COCc1ccc(o1)C(=O)NC(CC(C)C)c1nnc2CCN(C/C(=C/C)/C)CCn12	PC-id_45190129,EMOLS-id_44851977	429.556	PCEZKUQSQKQGKE-UBKPWBPPSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129216
COCc1ccc(o1)C(=O)N[C@@H](c1nnc2n1CCN(CC2)C/C(=CC)/C)CC(C)C	CoCoCo_1250114,CoCoCo_1250112	429.556	PCEZKUQSQKQGKE-UIXZJTIJSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129217
COCc1ccc(o1)C(=O)N[C@H](c1nnc2n1CCN(CC2)C/C(=CC)/C)CC(C)C	CoCoCo_1250118,CoCoCo_1250116	429.556	PCEZKUQSQKQGKE-UZHACCCZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129218
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(OC)c(C)c1C)CC2)C(C)C	CoCoCo_1240553,ZINC22_20453173,CoCoCo_1240552	429.556	UKFSNBHZBJZKON-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129219
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(OC)c(C)c1C)CC2)C(C)C	CoCoCo_1240554,ZINC22_20453171,CoCoCo_1240555	429.556	UKFSNBHZBJZKON-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129220
CSCCC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_334606203,MCULE-2731799228	429.556	FZDCZGLKADZGMR-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-129221
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	ZINC22_9765996,CoCoCo_3213203,MCULE-7174294654,PC-id_16300706,EMOLS-id_43810988	429.556	LZCWKIQYUJPQAL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129222
BrC(c1sc2CCCCCc2c1)c1cc(Br)c(OC)cc1	PC-id_63434944	430.197	PDAXIQHPEORWDH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129431
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1	PC-id_16333970,MCULE-8035695392,CoCoCo_4161099,EMOLS-id_11773245,ZINC22_9789403	429.556	ARFPFUKGQOZLBV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129223
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccccc1)C	CHEBI:113518,PC-id_44489810	429.556	AIVZVDBTBOXKNA-KNKQGSTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129224
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccccc1)C	CHEBI:96441,PC-id_44490870	429.556	AIVZVDBTBOXKNA-WOIUINJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129225
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccccc1)C	CHEBI:96855,PC-id_44489272	429.556	AIVZVDBTBOXKNA-XQBPLPMBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129226
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccccc1)C	CHEBI:96912,PC-id_44488162	429.556	AIVZVDBTBOXKNA-IPJJNNNSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129227
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccccc1)C	CHEBI:96964,PC-id_44491459	429.556	AIVZVDBTBOXKNA-NNMXDRDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-129228
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccccc1)C	PC-id_44483914,CHEBI:96755	429.556	AIVZVDBTBOXKNA-JQVVWYNYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129229
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccccc1)C	PC-id_44492060,CHEBI:113340	429.556	AIVZVDBTBOXKNA-CNNODRBYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129230
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccccc1)C	PC-id_44492062,CHEBI:96090	429.556	AIVZVDBTBOXKNA-DXIQSLLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129231
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccccc1)C	CHEBI:113354,PC-id_44489273	429.556	AYVSZOBZIZEFEA-WOIUINJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129232
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccccc1)C	CHEBI:95672,PC-id_44489271	429.556	AYVSZOBZIZEFEA-KNKQGSTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129233
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccccc1)C	PC-id_44488163,CHEBI:96812	429.556	AYVSZOBZIZEFEA-XQBPLPMBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129234
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccccc1)C	PC-id_44489811	429.556	AYVSZOBZIZEFEA-NNMXDRDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-129235
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccccc1)C	PC-id_44490869,CHEBI:96947	429.556	AYVSZOBZIZEFEA-IPJJNNNSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129236
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccccc1)C	PC-id_44491458,CHEBI:96818	429.556	AYVSZOBZIZEFEA-JQVVWYNYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129237
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccccc1)C	PC-id_44491460	429.556	AYVSZOBZIZEFEA-CNNODRBYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129238
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccccc1)C	PC-id_44492059,CHEBI:113330	429.556	AYVSZOBZIZEFEA-DXIQSLLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129239
O[C@H](CN1CCN(CC1)Cc1n2CCCCCc2nn1)COCc1c(OC)cccc1	PC-id_51946653	429.556	XNJWXTLNFRZYAU-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129240
O[C@@H](CN1CCN(CC1)Cc1n2CCCCCc2nn1)COCc1c(OC)cccc1	PC-id_51946655	429.556	XNJWXTLNFRZYAU-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129241
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(cc(c2c1N)C)C)C(=O)OC	PC-id_24053370	429.556	UPKPIDBLTSISRY-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-129242
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(ccc2c1N)C)C(=O)OCC	PC-id_24107932	429.556	NYHXDXKYXRKVLA-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-129243
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(ccc1C#N)C)C(=O)OC	PC-id_23861611	429.556	VZVDMDAMQIDRQA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-129244
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[nH]c2c(n1)cccc2)C(=O)OC	PC-id_23775435	429.556	PXMMFNMPZXCJDM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129245
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[nH]c2c(n1)cccc2)C)C(=O)OC	PC-id_23998266	429.556	ZIEXYDFDSGELIE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129246
s1c2c(CCCCC2)c(c1NC(=O)CSc1[nH]c2c(n1)cccc2)C(=O)OCC	PC-id_11618828	429.556	BPEGJCOFDSNQBM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129247
s1c2CCCCCCc2cc1C(=O)Nc1scc(n1)c1oc(CNC(=O)C)cc1	PC-id_24570714	429.556	GSNZMGDDXTWCBG-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-129248
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1nc(oc1C)c1sccc1	PC-id_46510761	429.556	USPXDYNBSSBJCC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-129249
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1nc(sc1)c1oc(cc1)C	PC-id_46422677	429.556	WKPVLGGERKNRNV-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-129250
s1c2CCCCCCc2cc1C(=O)NNC(=O)COCc1sc2c(n1)cccc2	PC-id_24487625	429.556	GIROZTSKZXPEHL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129251
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(ccc2c1N)C)C(=O)OC	PC-id_24053369	429.556	KLLRBMCHDACIDP-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-129252
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[nH]c2c(n1)cccc2)C(=O)OC	PC-id_17307827	429.556	HNDKJONYZHSYTJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129253
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_24071345	429.556	PXBMMFHNFUISMJ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-129254
S(=O)(=O)(N(C1CC1)C)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_41363961	429.556	OYCYYWBGLUPFEH-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-129255
c1(C(C)NC(=O)C2CC2)nnc2CCN(CC(c3ccccc3)c3ccccc3)CCn12	PC-id_45181543,MCULE-8912670667,EMOLS-id_20448201	429.557	DBKWWKVYHCLYDD-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-129256
C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(CC(c1ccccc1)c1ccccc1)CC2	CoCoCo_1197793,CoCoCo_1197794,ZINC22_14880756	429.557	DBKWWKVYHCLYDD-LJQANCHMSA-N	00100000100000110101000000000010000000000000000000000000	31-01-129257
C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(CC(c1ccccc1)c1ccccc1)CC2	ZINC22_14880757,CoCoCo_1197796,CoCoCo_1197795	429.557	DBKWWKVYHCLYDD-IBGZPJMESA-N	00100000100000110101000000000010000000000000000000000000	31-01-129258
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(C/C=C/c1ccccc1)CC2	CoCoCo_1384933,ZINC22_14992345,CoCoCo_1384935,PC-id_26347397	429.557	ZVURMIMNMCSOSV-CDDKBXLESA-N	00000000100000110101000000000010000000000000000000000000	31-01-129259
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(C/C=C/c1ccccc1)CC2	PC-id_26347400,ZINC22_14992347,CoCoCo_1384939,CoCoCo_1384937	429.557	ZVURMIMNMCSOSV-LNYGYFNRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129260
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(C/C=C/c3ccccc3)CCn12	PC-id_45211332,EMOLS-id_26007003,ChEMBL-DNDi_CHEMBL44983444	429.557	ZVURMIMNMCSOSV-MDWZMJQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-129261
CN(Cc1ccccc1)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CC1CC1	PC-id_134805947	429.557	GWIYACPBJHITAR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-129262
n12CCN(CCc1nnc2C(C)NC(=O)CCc1ccccc1)CC=Cc1ccccc1	MCULE-5194900739,PC-id_74499075	429.557	ZVURMIMNMCSOSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129263
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cc1ccc(cc1)c1ccccc1	PC-id_46692010	429.557	CENFMIJHVHPPQU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129264
O=C(N[C@@H](c1nnc2n1CCN(CC2)C/C=Cc1ccccc1)C)CCc1ccccc1	CoCoCo_1384934,CoCoCo_1384932	429.557	ZVURMIMNMCSOSV-YDTSGJJXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129265
O=C(N[C@H](c1nnc2n1CCN(CC2)C/C=Cc1ccccc1)C)CCc1ccccc1	CoCoCo_1384936,CoCoCo_1384938	429.557	ZVURMIMNMCSOSV-LUTRRODMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129266
S(=O)(=O)(N1CC[NH+](CC1)Cn1nc2n(c1=O)CCCCC2)N1C[C@H](O[C@@H](C1)C)C	PC-id_36348191	429.557	GEIXFYOTMSAAPQ-HZPDHXFCSA-O	00000000100010000101000000000010000000000000000000000000	31-01-129267
S(=O)(=O)(N1CC[NH+](CC1)Cn1nc2n(c1=O)CCCCC2)N1C[C@@H](O[C@H](C1)C)C	PC-id_36348204	429.557	GEIXFYOTMSAAPQ-HOTGVXAUSA-O	00000000100010000101000000000010000000000000000000000000	31-01-129268
S(=O)(=O)(N1CC[NH+](CC1)Cn1nc2n(c1=O)CCCCC2)N1CC(OC(C1)C)C	PC-id_74649697	429.557	GEIXFYOTMSAAPQ-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-129269
COc1ccc(cc1)n1c(SCC(=O)Nc2nc3c(s2)CCCCC3)nnc1C	PC-id_112807872	429.559	WLSVIABRWZPTBF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129270
COc1ccccc1N(C(=O)C)c1nc(CSc2nnc3n2CCCCC3)cs1	EMOLS-id_11710303,ZINC22_9815901,PC-id_16292473,CoCoCo_3081509,MCULE-2249145618	429.559	CAVRNSWQFOOKJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129271
s1c2CCCCCc2nc1NC(=O)[C@@H](NC(=O)N1CCN(CC1)c1[nH+]cccc1)C	PC-id_52898708	429.559	DUAGQMPOMINUTI-HNNXBMFYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-129272
s1c2CCCCCc2nc1NC(=O)C(NC(=O)N1CCN(CC1)c1[nH+]cccc1)C	PC-id_75982454	429.559	DUAGQMPOMINUTI-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-129273
S(c1cc(c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C)c1scc(n1)C	PC-id_56401599	429.559	NBWQBVPBRYCCFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129274
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCc2n(C1)nc(n2)COC	PC-id_109732001	429.562	BWFZOKLVPKGGEC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-129275
CCC(n1nnc2c1CCCCCC2(F)Cc1ccc(cc1)C(=O)OC(C)(C)C)(C)C	PC-id_139404279,SCHEMBL21261154	429.571	VBXRAKZAVRTMRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129276
c1(NC(=O)c2ccc(cc2)OCCC(C)C)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_2769292,CoCoCo_1740518,MCULE-3615719078,EMOLS-id_8838793,PC-id_19578454,TIMTEC319405	429.572	MTYQPIOQTIIVIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129277
c1(NC(=O)c2ccc(cc2)OCC(C)C)sc2c(CCCCCC2)c1C(=O)OCC	ZINC22_2752287,EMOLS-id_4114337,TIMTEC433589,PC-id_4134404,SPECS-id_AK-968/13779241,CoCoCo_5823716,MCULE-3707618484	429.572	RROOBXFGZZDWEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129278
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(OCCCCC)cc1)C(=O)OCC	PC-id_4623319	429.572	NSMSOUMHLSMJHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129279
c1(NC(=O)CCC(=O)Nc2cc(C)ccc2OCC(C)C)sc2c(CCCCC2)n1	EMOLS-id_335049429,MCULE-7541945710	429.576	RBMDTPKGRIJEBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129280
COC(=O)c1c(NC(=O)CNCC(c2ccccc2)N(C)C)sc2c1CCCCC2	EMOLS-id_300968176,PC-id_3960553,MCULE-2543717939	429.576	GPUBHXOUQPYVLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129281
COC(=O)c1c(NC(=O)CNC[C@@H](c2ccccc2)N(C)C)sc2c1CCCCC2	CoCoCo_3683895,ZINC22_22031702,PC-id_2161435	429.576	GPUBHXOUQPYVLC-SFHVURJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129282
COC(=O)c1c(NC(=O)CNC[C@H](c2ccccc2)N(C)C)sc2c1CCCCC2	CoCoCo_3683896,PC-id_2161437,ZINC22_22031706	429.576	GPUBHXOUQPYVLC-GOSISDBHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129283
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1c(cccc1)C(=O)OC	PC-id_30376971	429.576	FWAUJNREPPKOEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129284
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1ccc(cc1)C(=O)OC	PC-id_30376976	429.576	JIIHHUOUSMKLHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129285
s1c2CCCCCCCCCCc2nc1NC(=O)COc1cc(NC(=O)C)ccc1	PC-id_30377211	429.576	YWTPENPDULALIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129286
s1c2CCCCCc2c(c1NC(=O)CN(Cc1ccccc1)Cc1ccccc1)C#N	PC-id_22197454	429.577	BZYNWTYLYIVGCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129287
CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=Cc1cscc1)C	PC-id_87208756,SCHEMBL1174510	429.579	CAJWICJTNGEPJK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-129288
CC(C)(C)C(=NC(=O)c1c2CN(CCCn2c(n1)CCc1cscc1)C)C(=O)NC	PC-id_89222580	429.579	GSVVVECXMUXYNF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-129289
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CC(=O)NC2CC2)CC1	CoCoCo_4230228,CoCoCo_4230227,PC-id_9292371,ZINC22_22775891	429.579	UJUBMLAUXNGUFN-HNNXBMFYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-129290
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CC(=O)NC2CC2)CC1	ZINC22_22775896,CoCoCo_4230230,CoCoCo_4230229,PC-id_9292373	429.579	UJUBMLAUXNGUFN-OAHLLOKOSA-N	00100000100010000101000000000010000000000000000000000000	31-01-129291
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=Cc1cscc1	PC-id_66931854,SCHEMBL1174514	429.579	CAJWICJTNGEPJK-LJQANCHMSA-N	00000000100100000101000000000010000000000000000000000000	31-01-129292
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)/C=C/c1cscc1	SCHEMBL1174507,PC-id_57635649	429.579	CAJWICJTNGEPJK-IHHMQQGQSA-N	00000000100100000101000000000010000000000000000000000000	31-01-129293
CNC(=O)/C(=N/C(=O)c1nc(n2c1CN(C)CCC2)CCc1cscc1)/C(C)(C)C	SCHEMBL14002920	429.579	GSVVVECXMUXYNF-PLRJNAJWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-129294
CSCCC(C(=O)NCCCc1nnc2n1CCCCC2)NC(=O)c1ccccc1	PC-id_86884606	429.579	IQVMCPRHSQXXTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129295
N#Cc1c(NC(=O)CCN2CCN(CC2)CC(=O)NC2CC2)sc2c1CCCCC2	CoCoCo_4125650,PC-id_9450194,EMOLS-id_36991954,MCULE-3993731844,CoCoCo_4125649	429.579	XGBRACDQRQVPHR-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-129296
N#Cc1c(NC(=O)C(N2CCN(CC2)CC(=O)NC2CC2)C)sc2c1CCCCC2	MCULE-2281743099,PC-id_16333119,EMOLS-id_11771689	429.579	UJUBMLAUXNGUFN-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-129297
N#CC[C@]1(C)C[C@H](C1)S(=O)(=O)N[C@@H]1C[C@@H](C1)N(/C/1=c/2cc[nH]c2=NC=CCCC1)C	SCHEMBL19381569	429.579	CVHJKASVZILRRJ-OBXXFBKZSA-N	00001000100000000110000000000010000000000000000000000000	31-01-129298
O=C1N(CCCCN2CCN(CC2)c2ncccn2)CCCc2c1cc(s2)C(O)C	SCHEMBL9038290,PC-id_19881066	429.579	XHOFMMIRBACKRK-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-129299
s1c2CCCCCc2c(c1NC(=O)CCN(CCN1CCOCC1)CCC#N)C#N	PC-id_78818869	429.579	BKLYJEWTYIRTSV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-129300
s1c2CCCN(CCCCN3CCN(CC3)c3ncccn3)C(=O)c2cc1CCO	PC-id_44210139	429.579	HMGIWXYUFHYMAG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-129301
s1c(C(=O)N2CC[NH+](CC2)Cc2nc3sccn3c(=O)c2)cc2c1CCCCC2	PC-id_51466014	429.579	OZZOVHAGOCCWFK-UHFFFAOYSA-O	00000000100010100101000001000010000000000000000000000000	31-01-129302
s1c(NC(=O)[C@@H]([NH+]2CC[NH+](CC2)Cc2noc(c2)C)C)c(c2c1CCCCC2)C#N	PC-id_9319904	429.579	SCXOSPMEWLWWIT-INIZCTEOSA-P	00000000100010000101000000000010000000000000000000000000	31-01-129303
s1c(NC(=O)[C@H]([NH+]2CC[NH+](CC2)Cc2noc(c2)C)C)c(c2c1CCCCC2)C#N	PC-id_9319912	429.579	SCXOSPMEWLWWIT-MRXNPFEDSA-P	00000000100010000101000000000010000000000000000000000000	31-01-129304
s1c(NC(=O)C([NH+]2CC[NH+](CC2)Cc2noc(c2)C)C)c(c2c1CCCCC2)C#N	PC-id_84980455	429.579	SCXOSPMEWLWWIT-UHFFFAOYSA-P	00000000100010000101000000000010000000000000000000000000	31-01-129305
S(CC(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(OCC)cc1	PC-id_46449520	429.579	GAMQCMMMENLRJA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129306
C[C@@H](Sc1nc(c2cccs2)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4174838,CoCoCo_4174834,PC-id_41411266,CoCoCo_4174836,ZINC22_10217188,CoCoCo_4174832	429.582	BZECWFGIXZXCNK-LLVKDONJSA-N	00000000100100000101100000000010000000000000000000000000	31-01-129307
C[C@H](Sc1nc(c2cccs2)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41411263,CoCoCo_4174833,ZINC22_10217183,CoCoCo_4174839,CoCoCo_4174835,CoCoCo_4174837	429.582	BZECWFGIXZXCNK-NSHDSACASA-N	00000000100100000101100000000010000000000000000000000000	31-01-129308
N#Cc1c(NC(=O)C(Sc2nnc([nH]2)c2cccs2)C)sc2c1CCCCC2	EMOLS-id_11837354,MCULE-9298464855,PC-id_16378347	429.582	BZECWFGIXZXCNK-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-129309
s1c2CCCCCc2c(c1NC(=O)CSc1nc([nH]n1)Cc1sccc1)C#N	PC-id_16607406	429.582	RIHOFQRUHQWTJN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-129310
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1sccc1)C)C#N	PC-id_19725422	429.582	JMYCROHSLXFEAM-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-129311
COc1nc2c(s1)CCN(CC2)CCN(/C(=CC(=C)c1ccc(c(c1)C)F)/CC)C	PC-id_145588025	429.594	FYNLIRRTPRUCIB-SILNSSARSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129312
COc1ccccc1N1CCN(CC1)Cc1cc(c2-c1ccccc2)CN1CCCCC1	BindingDB_PC-id_71457844,PC-id_71457844	429.597	IOFOPIMDJBEBFZ-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-129313
CC(C)(C)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	ZINC22_32125359,PC-id_20166116	429.599	DESTUKFEPGMAHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129314
CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=CC1CCCCC1)C	SCHEMBL1175848,PC-id_87208895	429.599	UTMYSRHNJSJSLC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-129315
CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=CCC1CCCC1)C	PC-id_87208829,SCHEMBL1175332	429.599	SZUYLQXZQGOAEX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-129316
CC(C)(C=O)C(CNC)NC(=O)c1c2CN(CCCn2c(n1)C=CCC1CCCC1)C	PC-id_89786446	429.599	WGSDVWAIWUXZPY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-129317
C[C@@H](c1ccc([S@@](=O)C)cc1)N(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_95787489,ZINC22_72311051	429.599	LCAMPDVOAOYIBZ-WNNBVUDTSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129318
C[C@H](c1ccc([S@](=O)C)cc1)N(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_95787492,ZINC22_72311054	429.599	LCAMPDVOAOYIBZ-MHTXLSKPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129319
C[C@H](c1ccc([S@@](=O)C)cc1)N(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_72311052,PC-id_95787490	429.599	LCAMPDVOAOYIBZ-HOLBHBGLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129320
C[C@@H](c1ccc([S@](=O)C)cc1)N(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_72311053,PC-id_95787491	429.599	LCAMPDVOAOYIBZ-PEGYKEAPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129321
CNC[C@H](C(C=O)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=CCC1CCCC1	SCHEMBL15234335	429.599	WGSDVWAIWUXZPY-HXUWFJFHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-129322
CNCO[C@H](C(C)(C)C)NC(c1nc(n2c1CN(C)CCC2)C(c1ccccc1)C)O	SCHEMBL12883221,PC-id_70793019	429.599	BRBVWPYLOAPHHX-JTPBLVHTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129323
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)/C=C/C1CCCCC1	PC-id_57635382,SCHEMBL1175845	429.599	UTMYSRHNJSJSLC-JNCYCUAHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-129324
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=CC1CCCCC1	PC-id_66932362,SCHEMBL1175850	429.599	UTMYSRHNJSJSLC-OAQYLSRUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-129325
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)/C=C/CC1CCCC1	PC-id_57635249,SCHEMBL1175329	429.599	SZUYLQXZQGOAEX-CDDKBXLESA-N	00000010100000000101000000000010000000000000000000000000	31-01-129326
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=CCC1CCCC1	SCHEMBL1175334,PC-id_66932169	429.599	SZUYLQXZQGOAEX-OAQYLSRUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-129327
N#Cc1c(NC(=O)CN(C(c2ccc(cc2)S(=O)C)C)C)sc2c1CCCCC2	MCULE-9412431638,EMOLS-id_42922491,PC-id_72108984	429.599	LCAMPDVOAOYIBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129328
N#Cc1c(NC(=O)CN(Cc2cccs2)CC2CCCO2)sc2c1CCCCC2	MCULE-5599867488,EMOLS-id_23966346,PC-id_45846285	429.599	SSOPCXGUZREPOT-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-129329
N#Cc1c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)sc2c1CCCCC2	CoCoCo_3985378,PC-id_27652911,CoCoCo_3985380,ZINC22_17307880	429.599	SSOPCXGUZREPOT-INIZCTEOSA-N	00000010100100000100000000000010000000000000000000000000	31-01-129330
N#Cc1c(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)sc2c1CCCCC2	CoCoCo_3985381,CoCoCo_3985379,ZINC22_17307881,PC-id_27652913	429.599	SSOPCXGUZREPOT-MRXNPFEDSA-N	00000010100100000100000000000010000000000000000000000000	31-01-129331
O(C(NC(O)c1nc(n2c1CN(CCC2)C)C(c1ccccc1)C)C(C)(C)C)CNC	PC-id_77921981	429.599	BRBVWPYLOAPHHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129332
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccccc1)C(=O)OC	PC-id_19654370	429.599	RBHNHTNYICCJHA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129333
s1c2CCCCCCc2nc1NC(=O)c1c(SCC(=O)N2CCCC2)cccc1	PC-id_56060800	429.599	XYUUPPBYEMRQRI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129334
c1(NC(=O)CSc2nnc(C3CC3)n2CCC)sc2c(CCCCCC2)c1C#N	ZINC22_17096660,CoCoCo_6818881,EMOLS-id_4114387,MCULE-3666074467,PC-id_17375777,TIMTEC149372	429.602	FMIATYFAMQAUEY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-129335
CC(C)(C)C(=O)NCc1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)s1	PC-id_17500131,CoCoCo_3890618,EMOLS-id_13471634,ZINC22_12982145,MCULE-7548116723	429.602	SQFXXCVILAEJBJ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-129336
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(C1)C(=O)C1CCCCC1	PC-id_109799960	429.602	VKIKONYUZZSTEB-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-129337
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCC(C1)C(=O)NC1CC1	PC-id_112081379	429.602	OZPZBYRUODFQMB-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-129338
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(C1)C(=O)C1CCCC1	PC-id_109824657	429.602	SGWMBHLCKRNUHD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-129339
CN=C(NC1CCN(C1)C(=O)C1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_109798468	429.602	ZHMFGICSHKVSNQ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-129340
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCCN(CC1)c1sccn1)C#N	PC-id_56114669	429.602	TYEGIMMVKAWLFJ-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-129341
s1c2CCCCCc2c(c1NC(=O)C(Sc1nc([nH]n1)CC1CCCC1)C)C#N	PC-id_16587909	429.602	MFOCSWCRYZQGHB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-129342
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC)C#N	PC-id_20125340	429.602	IZRKGFGTGDLLDM-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-129343
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)C)C#N	PC-id_20125549	429.602	YUINRRDNQDPZSY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-129344
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)C)C#N	PC-id_20125241	429.602	OZCOTCNZGFRTCZ-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-129345
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(C)C)CC=C)C#N	PC-id_17270550	429.602	VHHZPIRMNOIWQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129346
S(c1n(C2CC2)c(nn1)C(C)C)C(C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_24579069	429.602	IJKZPJOCFGOOIW-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-129347
S(c1n(C2CCCCC2)c(nn1)C)CC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_45665328	429.602	WSPVVFXGAUNPCB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-129348
S(c1n(c(nn1)C1CC1)C(C)C)CC(=O)Nc1sc2CCCCCCc2c1C#N	PC-id_19727153	429.602	VJSQCFKFUWYOKC-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-129349
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)CC(=O)Nc1c(c(ccc1)C)C	PC-id_51608562	429.602	COQPTOJJAJUTAT-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-129350
s1c2CCCCCCc2nc1NC(=O)c1c(SCc2nc(sc2)C)cccc1	PC-id_56060799	429.622	MUSMKLKAXJEMPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129351
CCNC(=NCc1nnc2n1CCCCC2)NCC1CCCN(C1c1cccs1)C	PC-id_111666788	429.625	XGJUIRJKXOCIKM-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-129352
CCNC(=NCC(c1cccs1)N1CCCC1)NCCc1nnc2n1CCCCC2	PC-id_111012805	429.625	VFAYIQJNMPUMIL-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-129353
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)Cc1cccs1	PC-id_111367383	429.625	DBLZGTJXTJNPCY-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-129354
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)c1cccs1	PC-id_109654659	429.625	OCJNMHQLDMXTEU-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-129355
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1nc2c(s1)CCCC2)C	PC-id_112075558	429.625	QSRCTOCBUBREIF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-129356
CN=C(NC1CCN(CC1)Cc1ccsc1)NCCCc1nnc2n1CCCCC2	PC-id_112081563	429.625	AMHDBDVNQRFZIN-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-129357
CN=C(NCc1nnc2n1CCCCC2)NCC(c1cccs1)N1CCC(CC1)C	PC-id_111323374	429.625	OVASASYMSGUVBB-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-129358
CN=C(NCC(c1cccs1)N1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111012099	429.625	UJOKGSNBZUZXGV-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-129359
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCCN2CCO[Si](C(C)(C)C)(C)C	PC-id_68297858,SCHEMBL12503423	429.628	QJVSKWAQAUMLQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129360
CCCCCCCCCCCCCCCCCCN=c1nc(c2c(c(n1)N)nc[nH]2)N	PC-id_135939020	429.645	ANMWCFJOWIBHMQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-129361
CCNC(=NCC1(CCCCC1)N1CCCCC1)NCCc1nnc2n1CCCCC2	PC-id_111292691	429.645	AHFUEWKJNTWHJL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-129362
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCN(C1)C1CCCCC1	PC-id_112080497	429.645	BHJYNQVLHUASBC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-129363
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)C1CCCCC1	PC-id_112083187	429.645	GPNFJQLJFAPJKR-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-129364
CN=C(NC1CCN(CC1)CC1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_112078323	429.645	ADKUXSNMJSAXBP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-129365
CN=C(NCC1(CCCCC1)N1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111292727	429.645	ZATRVRUNBQPIRH-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-129366
N(CCCCCCCCCCCCCCCCCC)c1nc(N)c2-c(ncn2)c(n1)N	PC-id_46911382	429.645	KSYNIGUHSXADEV-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-129367
c1(sc2c(CCCCC2)n1)NC(=O)C(C)Oc1ccc(cc1Br)Cl	EMOLS-id_334602872,MCULE-1540324167	429.759	OBZCQZQPUYEYDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129368
Clc1cc(NC(=O)c2occc2)c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55933373	429.857	VFNNHUZCUQCIIL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129369
Clc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1NC(=O)c1occc1	PC-id_55919739	429.857	GBOHKHFWHGCNCM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129370
O(c1c2-c(c([n+](c2C)CC2OCCC2)C)c(OCC)ccc1)CC.[Cl](=O)(=O)(=O)[O-]	CHEMBL1351226	429.892	GAUGGMKZPAVUHN-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-129371
Clc1c([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	MCULE-5787758466,PC-id_25606476,EMOLS-id_16730574,CoCoCo_3538103	429.898	WQLAQKKDCNGVGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129372
CC1(C)Cc2n[nH]cc2CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1	ZINC22_1630694804	429.9	IGHINGIKHGOSQK-INIZCTEOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129373
CC1(C)Cc2n[nH]cc2CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1	ZINC22_1630694805	429.9	IGHINGIKHGOSQK-MRXNPFEDSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129374
Cc1noc(C)c1Cn1nc2CCC(CCn2c1=O)C(=O)NCc1ccccc1Cl	EMOLS-id_207876740,MCULE-9729677675	429.9	FINDXGVXZQXUTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129375
Clc1ccc(cc1)N1C(=O)NC(C1=O)CCC(=O)N1Cc2cn[nH]c2CC(C1)(C)C	EMOLS-id_320359312,MCULE-9036396945,PC-id_139016531	429.9	IGHINGIKHGOSQK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129376
N#C/C(=C/1C(=O)N(c2c1cccc2)Cc1ccccc1Cl)/c1nnc2n1CCCCC2	CoCoCo_3782786	429.901	LTCKFEWHZQLPDC-RELWKKBWSA-N	00000010100000110101000000001010000000000000000000000000	31-01-129377
Clc1c(CN2c3c(/C(=C(/c4n5CCCCCc5nn4)C#N)/C2=O)cccc3)cccc1	CoCoCo_3782785,PC-id_6524364	429.902	LTCKFEWHZQLPDC-PYCFMQQDSA-N	00000010100000110101000000001010000000000000000000000000	31-01-129378
Clc1c(CN2c3c(C(=C(c4n5CCCCCc5nn4)C#N)C2=O)cccc3)cccc1	PC-id_4259929	429.902	LTCKFEWHZQLPDC-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-129379
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c(CCCCC2)c1C(=O)N	MCULE-5326468530,PC-id_1028462,ZINC22_696066,CoCoCo_6925365,EMOLS-id_5399870,TIMTEC412558	429.92	QTXQQGGKXDHLKC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129380
CNC(=O)c1ccccc1Nc1nc(Nc2nc3c(s2)CCNCC3)ncc1Cl	BindingDB_PC-id_118713249,PC-id_118713249,CHEMBL3330850	429.926	YKKMSYLSEXFJCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129381
Clc1c(COc2ccc(C[NH2+]C(c3n4CCCCCc4nn3)C)cc2)c(F)ccc1	PC-id_75751662	429.938	KPBZRCJKPDSJET-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-129382
Clc1c(COc2ccc(C[NH2+][C@H](c3n4CCCCCc4nn3)C)cc2)c(F)ccc1	PC-id_51941222,GD-id_ZINC40088625	429.938	KPBZRCJKPDSJET-INIZCTEOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-129383
Clc1c(COc2ccc(C[NH2+][C@@H](c3n4CCCCCc4nn3)C)cc2)c(F)ccc1	PC-id_51941224,GD-id_ZINC40088626	429.938	KPBZRCJKPDSJET-MRXNPFEDSA-O	00000000100000110101000000000010000000000000000000000000	31-01-129384
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3c(cccc3F)Cl)CCn12	PC-id_45186385,EMOLS-id_20468769,MCULE-2754275302	429.94	NRGFGSVVJRROPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129385
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2	CoCoCo_1226637,CoCoCo_1226638,ZINC22_20449587	429.94	NRGFGSVVJRROPY-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129386
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2	CoCoCo_1226639,CoCoCo_1226640,ZINC22_20449590	429.94	NRGFGSVVJRROPY-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129387
Clc1ccc(NC(=S)N(Cc2n3CCCCCc3nn2)c2ccc(F)cc2)cc1	PC-id_2100978	429.941	YKYACNWCBOLUNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129388
Clc1c(S(=O)(=O)N(OC)C)cc(C(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_29859448	429.941	NYHFQIQIZYFKQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129389
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCCC1)c2)Cc1ccc(cc1)Cl	EMOLS-id_32846302,MCULE-5302101038,PC-id_50797917	429.943	VOYUXOBIAGDRSC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129390
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCCCC1)c2)Cc1ccc(cc1)Cl	PC-id_50797957,EMOLS-id_32846286,MCULE-4618405329	429.943	NCVJBQNZEWWIAN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129391
Cn1ccc2c1C(CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)Cl)N=O	PC-id_90829740	429.943	CDXJPPMQPXGWJA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129392
Cn1ccc2c1C(=NO)CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)Cl	PC-id_88040726	429.943	YZPXOKXAOJFXMS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129393
O/N=C
/CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccc(cc1)Cl	SCHEMBL6774883	429.943	YZPXOKXAOJFXMS-GFMRDNFCSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129394
CN=C(N1CCN(C(=O)C1)Cc1ccc(cc1)Cl)NCc1nnc2n1CCCCC2	PC-id_109500283	429.946	IRGFZGHTERIPRA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129395
CC(C)N(Cc1nnc(c2ccccc2Cl)o1)C(=O)c1cc2c(s1)CCCCC2	EMOLS-id_43416191,MCULE-1132880312,ZINC22_8825776,PC-id_16272803,CoCoCo_3225000	429.963	OCXRCRIJWVNWMI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129396
Clc1ccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)CC2=CCCCC2)cc1	EMOLS-id_313791036,ZINC22_2055785119	429.963	GNFBSNWJNIKOEJ-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-129397
Clc1ccc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)nc1	PC-id_56143944	429.966	FPKJGUUKDNAQHR-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-129398
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1cc(Cl)ccc1C	PC-id_111264261	429.989	YTOMOROYWYUHCE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129399
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(C1)c1cccc(c1)Cl	PC-id_109463804	429.989	ZZZPFLXXSJZWDD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129400
CN=C(N1CCN(CC1)c1ccccc1Cl)NCCCc1nnc2n1CCCCC2	PC-id_111177582	429.989	UWZJKPLDKMSLQO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129401
CN=C(N1CCN(CC1)c1cccc(c1)Cl)NCCCc1nnc2n1CCCCC2	PC-id_111187017	429.989	SEJUTYFHBYTBII-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129402
CN=C(NC1CCN(C1)c1cccc(c1)Cl)NCCCc1nnc2n1CCCCC2	PC-id_109463082	429.989	ARFYWVANSSTRGU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129403
C[C@H](CNS(=O)(=O)c1ccc(cc1)Cl)CCc1ccc2-c1ccc(cc2)C(C)C	SCHEMBL9626936,PC-id_15020275	430.003	VPHLROAWNDUWFW-SFHVURJKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-129404
Clc1ccc(cc1)S(=O)(=O)NC(CCCc1ccc2-c1ccc(cc2)C(C)C)C	SCHEMBL9626943,PC-id_67895213	430.003	ICFYOJCKQDHSQX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-129405
Clc1ccc(S(=O)(=O)NCC(CCc2c3-c(cc2)ccc(C(C)C)cc3)C)cc1	PC-id_72743194	430.003	VPHLROAWNDUWFW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-129406
Clc1ccc(cc1)CCN1CCC(CC1)C(=N)N1CCN(c2c(C1=N)ccs2)C	PC-id_141859741	430.009	JTIDBNURNADWFC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129407
O=C1Nc2c(CCC1I)n(c(c2C)I)C	SCHEMBL19031505	430.024	IDEXNWVZPRZTQA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-129408
CC(=O)SC(CC1=CC=CC=C1)C(=O)NC2=CCSC3=CC=C(N3C2=O)C(=O)O	PC-id_154216523	430.066	NLJCVVMKPYBXQN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-129409
CCOC(=O)N1CCc2c(CC1)c(c(s2)I)Br	PC-id_68469943,SCHEMBL2994546	430.1	YMXKWFLPVHXNHW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-129410
CC(C#C)(C1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682155	430.111	CLWYPMKGZIPEHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129411
CC#CC(C1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682215	430.111	UNXRTGWDYALIGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129412
CC(C#C)([C@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155062085	430.111	CLWYPMKGZIPEHE-DIAVIDTQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129413
CC#CC([C@@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155253515	430.111	UNXRTGWDYALIGT-BHWOMJMDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129414
CC#CC([C@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155253536	430.111	UNXRTGWDYALIGT-TZHYSIJRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129415
C[C@@](C#C)([C@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155257985	430.111	CLWYPMKGZIPEHE-YLJYHZDGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129416
CC#C[C@H]([C@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682023	430.111	UNXRTGWDYALIGT-IAGOWNOFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129417
CC#C[C@@H]([C@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682227	430.111	UNXRTGWDYALIGT-SJORKVTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-129418
CC#C[C@@H]([C@@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155062033	430.111	UNXRTGWDYALIGT-IRXDYDNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129419
CC#C[C@H]([C@@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155253540	430.111	UNXRTGWDYALIGT-DLBZAZTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-129420
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)NC(CO3)(C)C(C=C)O)C#N	PC-id_161923328	430.131	XTWOSIPZWJYPQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129421
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@](CO3)(C=C)[C@@H](C)O)C#N	PC-id_161924820	430.131	NMZOCHVPGIHPGH-ZUOKHONESA-N	00000000100000110101000000000010000000000000000000000000	31-01-129422
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@](CO3)(C=C)[C@H](C)O)C#N	PC-id_161924821	430.131	NMZOCHVPGIHPGH-RNODOKPDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129423
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@](CO3)(C=C)[C@@H](C)O)C#N	PC-id_161924822	430.131	NMZOCHVPGIHPGH-XCLFUZPHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129424
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@](CO3)(C=C)[C@H](C)O)C#N	PC-id_161924823	430.131	NMZOCHVPGIHPGH-RBZFPXEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129425
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@](CO3)(C)[C@H](C=C)O)C#N	PC-id_155062089	430.131	XTWOSIPZWJYPQP-JXFKEZNVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129426
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@H](CC=C)O)C#N	PC-id_160043476	430.131	GCOROUAZYITBCM-CVEARBPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129427
CC(C(F)(F)F)NC1=C(C2=C(S1)CCCCC2)C(NC3=C(C=CC(=C3)O)OC)O	PC-id_149044432	430.154	QIFRPEOXZLMUNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129428
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=C(C(N=C3C)C)C	PC-id_155203772	430.258	XHYLIBKWTCDNSG-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-129433
Ic1ccc(c(c1)F)Nc1cc2c(s1)C(=O)NCC(C2)(C)C	SCHEMBL4511834,PC-id_69073737	430.279	CJPIXJFRSATVNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129434
CNC(=O)CNC(=O)c1nc(n2c1CN(CCC2)C(=O)OC(C)(C)C)Br	PC-id_145538568	430.297	URDCCNACOHXDKS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129435
CC(C)CC1CCN(CC1)CC2(CCC2)CNC(=O)C3=CC4=C(S3)CCCCCC4	PC-id_160495671	430.302	PJYIHKWIXOQISW-UHFFFAOYSA-N	00001000100010000100000000000010000000000000000000000000	31-01-129436
Clc1c(=O)n(ncc1Cl)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_3877055	430.306	CLAZTBFYWZOHMD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-129437
CCC1(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)COc2c(OC1)csc2	PC-id_102334787	430.329	BQTCCFHFULRAET-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129438
c1(CN(c2ccc(cc2)Cl)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	MCULE-4754869328,PC-id_2722546,TOSLab_5365,TOSLab_2876,SPECS-id_AT-225/NB75157,ZINC22_3772531,STOCK2S-25339,CoCoCo_411138,EMOLS-id_1024187	430.33	AFWZILCRDPFVFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129439
c1(CN(c2ccc(cc2)Cl)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	MCULE-6494927171,EMOLS-id_10084038,ZINC22_27525434,CoCoCo_6269375,PC-id_23856929	430.33	FXRUPDHTMRRRLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129440
c1(CN(c2ccccc2)C(=O)Nc2ccc(c(Cl)c2)Cl)nnc2CCCCCn12	PC-id_1259592,EMOLS-id_6784421,ZINC22_1071220,CoCoCo_6269187,MCULE-8513566122,TIMTEC276323	430.33	KXURMIGWWSNFBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129441
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)Cl)C(=O)Nc1ccc(cc1)Cl	MCULE-7735882376,PC-id_1538790,ZINC22_1468088	430.33	JMGUQRVUKAEBDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129442
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)Cl)C(=O)Nc1cccc(Cl)c1	ZINC22_2684522,PC-id_4480580,MCULE-3947526770	430.33	BCIFSLXQDUALFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129443
c1(nnc2CCCCCn12)N(Cc1ccccc1)C(=O)Nc1ccc(c(Cl)c1)Cl	MCULE-8876434467,PC-id_4751837,ZINC22_16769249	430.33	KJKCNYADFNCAAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129444
Clc1c(NC(=O)N(Cc2n3CCCCCc3nn2)c2ccccc2)ccc(Cl)c1	PC-id_23793344	430.33	IDWGPIKNTCOWPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129445
n1c2CCCCCn2nc1CN(c1ccc(cc1)Cl)C(=O)Nc1ccc(cc1)Cl	ZINC22_28526983,MCULE-9300922503,CoCoCo_6600459,PC-id_16458444	430.33	JRFCKPFKVCUAQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129446
n1c2CCCCCn2nc1CN(c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1	CoCoCo_6600906,MCULE-1454029994,ZINC22_28527498,PC-id_16458654	430.33	UFCHKYKUHUSRMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129447
n1c2CCCCCn2nc1CN(c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	CoCoCo_6600932,MCULE-7925305014,ZINC22_28527538,PC-id_16458664	430.33	WYUHLLBJSSCHCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129448
C1Cn2cc(nc2OCCN1CC(=O)NNc1cc(ccc1)OC(F)(F)F)[N+](=O)[O-]	PC-id_89580478,SCHEMBL14966200	430.339	OFCOJZOKEPVADH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129449
C1Cn2cc(nc2OCCN1CC(=O)NNc1ccc(cc1)OC(F)(F)F)[N+](=O)[O-]	PC-id_89580490,SCHEMBL14966217	430.339	TWLVJNAZZANUTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129450
Cc1c(Br)c2ccccc2n1CC(=O)NCCc1nnc2n1CCCCC2	EMOLS-id_44135245,ZINC22_59420111,PC-id_52687323,MCULE-4559494985	430.341	QLOBXOGFMJKYJL-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-129451
FC(F)(Oc1ccc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)C(F)C(F)(F)F	PC-id_60459738	430.347	RUIFGKAQYZLCAV-RAXLEYEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129452
FC(F)(Oc1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1)C(F)C(F)(F)F	PC-id_75848312	430.347	RUIFGKAQYZLCAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129453
FC(F)(Oc1ccc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)[C@H](F)C(F)(F)F	PC-id_52440940	430.347	RUIFGKAQYZLCAV-OJNOIJSXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129454
FC(F)(Oc1ccc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)[C@@H](F)C(F)(F)F	PC-id_52440941	430.347	RUIFGKAQYZLCAV-QFSNBGPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129455
[B]c1cc2c(cc1)NC(=O)C2=Cc1c(c2c([nH]1)CCCCN(C2=O)CCN(CC)CC)C	PC-id_89099152	430.35	SZHLOTWMXLIFOP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-129456
Bc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCCC1)/C(=O)N2	SCHEMBL13480248	430.35	HYFHSAJCHCTSEG-CYVLTUHYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-129457
Clc1ccc(NCc2n[n+](CC(=O)c3ccc(Cl)cc3)c3CCCCCn23)cc1	MCULE-6526435784,PC-id_1877253,ChEMBL-DNDi_CHEMBL1624347,CoCoCo_5790964,ZINC22_15974041,GD-id_ZINC15974041,SPECS-id_AT-225/NB55463,EMOLS-id_299985100	430.35	LQQOBBBJCBSRCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129458
O=C1N(CCCc2c1c(C)c([nH]2)/C=C/1C(=O)Nc2c1c(B)ccc2)CCN1CCCCC1	SCHEMBL13480274	430.35	MQGYOHSKCNAWKO-ICFOKQHNSA-N	00000010100010100100000000001010000000000000000000000000	31-01-129459
O=C(C[n+]1c(CNc2ccc(Cl)cc2)nn2c1CCCCC2)c1ccc(Cl)cc1	CoCoCo_6600461,GD-id_ZINC28526987,ZINC22_28526987,PC-id_35754469	430.35	QEKIMUVDTVCPDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129460
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(F)(F)F	SCHEMBL18352827	430.377	LFDRBQYJIQPOFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129461
FC(F)(F)C(=C(c1n2CCCCCc2nn1)C#N)OCC(=O)c1oc2c(c1)cccc2	PC-id_3672457	430.38	IPADPLGVHVSVBP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129462
FC(F)(F)/C(=C(c1n2CCCCCc2nn1)/C#N)/OCc1oc(nn1)c1ccccc1	CoCoCo_3163600,CoCoCo_3163603,PC-id_2478820	430.383	GBWGBQULSXXKCP-SAPNQHFASA-N	00000000100000110101100000000010000000000000000000000000	31-01-129463
FC(F)(F)C(=C(c1n2CCCCCc2nn1)C#N)OCc1oc(nn1)c1ccccc1	EMOLS-id_26056932,PC-id_3982436,MCULE-8174333866	430.383	GBWGBQULSXXKCP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129464
N#C/C(=C(C(F)(F)F)/OCc1nnc(o1)c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3163602,CoCoCo_3163601	430.383	GBWGBQULSXXKCP-VKAVYKQESA-N	00000000100000110101100000000010000000000000000000000000	31-01-129465
C1CN(CCn2c1ncc2C(=O)Nc1ccccc1)Cc1cc(ccc1)OC(F)(F)F	PC-id_134805877	430.423	GOGWQMXAYDETLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129466
Fc1cccc(Cn2nc3CCCCC(C(=O)NCc4cc(F)ccc4F)n3c2=O)c1	EMOLS-id_207869520,MCULE-5404600150	430.423	MKQLUBVYMAFXFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129467
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3c(F)ccc(F)c3F)CCn12	PC-id_45181836,MCULE-5409872465,EMOLS-id_232714154	430.426	UEBYLQPHIVQJOK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-129468
C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1c(F)ccc(F)c1F)CC2	CoCoCo_1199558,ZINC22_20202166,CoCoCo_1199557	430.426	UEBYLQPHIVQJOK-CYBMUJFWSA-N	00000000100000111101000000000010000000000000000000000000	31-01-129469
C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1c(F)ccc(F)c1F)CC2	CoCoCo_1199559,CoCoCo_1199560,ZINC22_20202169	430.426	UEBYLQPHIVQJOK-ZDUSSCGKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-129470
FC(F)(F)c1ccccc1CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	ChEMBL-DNDi_CHEMBL15978154,MCULE-4519062520,EMOLS-id_232709757,PC-id_28390034,ZINC22_19836640	430.426	ZWYYVWWJSLNDIO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-129471
FC(F)(F)c1cccc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)c1	ChEMBL-DNDi_CHEMBL14937962,MCULE-8325729492,PC-id_28312792,ZINC22_19744905,EMOLS-id_232708121	430.426	WOIZARFKBNDHPZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-129472
FC(F)(F)c1ccc(CN2CCn3c(nnc3CNC(=O)c3ncccc3)CC2)cc1	PC-id_28101873	430.426	MWYJRVKYRRSSIV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-129473
O=C(c1n(C)cc2c1OC[C@@H](NS2(=O)=O)C(O)(C)C)Nc1ccnc(c1)C(F)F	SCHEMBL18353477	430.426	OYHWTMLTZQRCGU-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129474
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)C(O)(C)C)Nc1ccnc(c1)C(F)F	PC-id_140762655	430.426	OYHWTMLTZQRCGU-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129475
OC[C@H]1NS(=O)(=O)c2c(O[C@H]1C)c(n(c2)C)C(=O)CNc1ccnc(c1)C(F)F	PC-id_139471413,SCHEMBL21337410	430.426	BRESUPNDPFHBFD-JOYOIKCWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129476
O=C(NCc1nnc2n1CCCCC2)c1cccnc1Nc1cccc(C(F)(F)F)c1	EMOLS-id_76008080,ZINC22_25055352,MCULE-2651602861	430.426	SUPZIQWCUNEWFB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-129477
O=C1CCC(=O)Oc2c(c(O1)nn2C)Cn1ncc(c1)c1cccc(c1)S(=O)(=O)C	PC-id_140810653	430.434	WQDPXKQWFDNCQY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129478
s1c2c(CCCCC2)c(c1NC(=O)Cn1c2c(oc1=O)cc([N+](=O)[O-])cc2)C(=O)N	PC-id_55362950	430.434	GKSJOSUBIGYEQY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129479
s1c2CCCCCc2cc1C(=O)NNC(=O)CC(O)(c1n(ccn1)C)C(F)(F)F	PC-id_55515539	430.445	AFYWXONWFAAUNZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129480
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nc(CC(=O)OCC)c1	PC-id_19523682	430.445	MAMNXGAYMKOBLT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129481
Fc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(F)ccc(F)c3)C)CC2)cc1	PC-id_42358438	430.446	IWTNHUQIBCFQIG-CQSZACIVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-129482
Fc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(F)ccc(F)c3)C)CC2)cc1	PC-id_42358442	430.446	IWTNHUQIBCFQIG-AWEZNQCLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-129483
Fc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(F)ccc(F)c3)C)CC2)cc1	PC-id_74798977	430.446	IWTNHUQIBCFQIG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-129484
Fc1cc(C[NH+]2CCn3c(nnc3CNC(=O)Cc3cc(F)ccc3)CC2)ccc1F	PC-id_42272942	430.446	YOFVGDDASWXDSH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-129485
Fc1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(F)cc3)CC2)c(F)ccc1	PC-id_42375920	430.446	WIMLUSYGPQMNFG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-129486
Fc1c(C[NH+]2CCn3c(nnc3CNC(=O)Cc3cc(F)ccc3)CC2)ccc(F)c1	PC-id_42247451	430.446	GKEVFARPFLKBBO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-129487
CCOC(=O)C1=CN(CC(c2c1[nH]c(c2/C=CN)N)(C)C)C(=O)c1ccc(c(c1)F)F	PC-id_145109419	430.448	PSTRMAXLNOHHPI-FPLPWBNLSA-N	00000000100000110110000000000010000000000000000000000000	31-01-129488
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)O)O	PC-id_19102840,SCHEMBL9337382	430.453	DZSOEZQGNXFXHM-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-129489
COc1cccc(c1)C(=O)Cn1c(COc2ccc(cc2)C(=O)O)nc2c1CC=CC=C2	PC-id_142221196	430.453	YPWMLYKHGHRYQJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-129490
COc1cc(ccc1OC(=O)/C=C/c1ccco1)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3727306,CoCoCo_3727305,PC-id_5887593	430.456	LYISEPOQWIIVHO-XLOTWMOGSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129491
COc1cc(ccc1OC(=O)/C=Cc1ccco1)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3727307	430.456	LYISEPOQWIIVHO-AVBBSEPFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129492
COc1cc(ccc1OC(=O)C=Cc1ccco1)C=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_44489927,PC-id_3657415,MCULE-5851933181	430.456	LYISEPOQWIIVHO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129493
COc1cc(ccc1OC(=O)/C=C/c1ccco1)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_75363155,CoCoCo_3727308	430.456	LYISEPOQWIIVHO-FHKLNFNXSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129494
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cnn4ccccc24)CCC3)cc1	ZINC22_1565555678,EMOLS-id_313782672	430.459	NDNPFANHMZLART-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-129495
O=C(N=c1cc2n([nH]1)CCCN(Cc1ccccc1)C2)c1ccc2[nH]nc(C(=O)O)c2c1	MCULE-8460751780,ZINC22_1875302081,PC-id_145909422,EMOLS-id_320379055	430.459	ZDIJBCKQGJXDAA-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-129496
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(c1ccc(n2cccc2)cc1)C	PC-id_19523759	430.466	MKCUCLNURJVONZ-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-129497
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(c1cc(n2cccc2)ccc1)C	PC-id_19523764	430.466	SUSKAACQHWNHNP-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-129498
Fc1ccc(c(c1)F)c1nn(cc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C	PC-id_86949039	430.471	FDGVIBJJCSOXSY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129499
s1c2c(CCCCC2)c(c1NC(=O)c1cc2OCOc2cc1)C(=O)NC(=O)OCC	PC-id_41106787	430.474	QHMQAYDXXXAWTN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-129500
s1c2c(CCCCC2)c(c1NC(=O)Cc1cc2OCOc2cc1)C(=O)NC(=O)OC	PC-id_41108221	430.474	GCIIOFYDAIVWQK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-129501
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(=O)Nc1cc2OCOc2cc1	PC-id_18278960	430.474	LHFZZIPNPJTUQW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-129502
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)NCCN(C)C)cc1	PC-id_42854944	430.476	UFYVYPVWXVWZAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129503
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(c(c1)c1occc1)C(=O)OCC	PC-id_55582230	430.477	ALRFNSROWZJFRB-UHFFFAOYSA-N	00000000101100000101100000000010000000000000000000000000	31-01-129504
s1c2c(CCCCC2)c(c1NC(=O)C1ON=C(C1)c1ccc(F)cc1)C(=O)OCC	PC-id_19493412	430.492	LPTVQDDMEOCLGS-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-129505
CCCCCCc1c(NC(=O)C)c(c2-c1c(C)cc(cc2)C(=O)NO)OC(=O)OCC	SCHEMBL8529717	430.494	LSZDWIRJQPSSQU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-129506
s1c2CCCCCCc2nc1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(F)cc1)C	PC-id_56022242	430.496	CUQYMAJWYXUDNJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129507
O1C(CCC1)COc1c(OC)cc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55716081	430.497	QOKGCWGIFUKUEV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129508
O(C1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)c1c(OC)cccc1OC	PC-id_55803057	430.497	LWQMZFCHBIGOCL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129509
O(C(=O)c1cc(C(c2c3c([nH]c2)cccc3)c2c3c([nH]c2)cccc3)c2-c1ccccc2)C	PC-id_86231935	430.497	QXMVCTKXYSDFJR-UHFFFAOYSA-N	00000010100000100110000001100010000000000000000000000000	31-01-129510
s1c2c(CCCCC2)c(c1NC(=O)c1sc2c(c1)cc([N+](=O)[O-])cc2)C(=O)OC	PC-id_4648400	430.497	XNXXVDIPSOEIHR-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-129511
C1CN(CCc2c1nc(o2)C(=O)NCCOc1ccccc1)Cc1cc2c(cc1)[nH]cc2	PC-id_134807995	430.499	XJUKSDGLDRHXPE-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-129512
COCCn1c(=O)n(c2c1CC=CC=C2)Cc1ccc(cc1)C(=O)Nc1ccccc1N	PC-id_143247676	430.499	IDPZJPJKJFCGIC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-129513
OC[C@@H](N1CC[C@@H](OCc2cn(CCCC1=O)nn2)CN(C(=O)c1ccncc1)C)C	SCHEMBL20831772,PC-id_138484125	430.501	NZDYBBZZVQARAK-QFBILLFUSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129514
Cc1ccc2nc(COc3cccc(C(=O)NCc4nnc5n4CCCCC5)c3)cn2c1	EMOLS-id_316811634,ZINC22_505461952,MCULE-7038249084	430.502	NRIZNVIGCUNFDM-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-129515
N#Cc1ccc(cc1N1CCOCC1)NC(=O)NCC1C/C=CC=C/C(=C)c2n1cnc2	PC-id_122504445,SCHEMBL18034752	430.502	DAEOZNLOQWNJGS-JVLMNHKTSA-N	00000000100010110111100000000010000000000000000000000000	31-01-129516
O(c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1)Cc1nc2n(c1)cccc2	PC-id_55535564	430.502	QWWISQYUNVQANO-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-129517
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(Cn2c3c(nc2)cccc3)cc1	PC-id_56216853	430.502	URHFGEXBJZCDGC-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-129518
O=c1n2CCCCCc2nn1CC(=O)NC(c1n(c2c(n1)cccc2)C)c1ccccc1	PC-id_56204391	430.502	KDFAHDBSZUQMAV-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-129519
O=c1n2CCCCCc2nn1CC(=O)NC(Cc1ccccc1)c1[nH]c2c(n1)cccc2	PC-id_74659612	430.502	OIYFTBQDAYPGHU-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-129520
O=c1n2CCCCCc2nn1CC(=O)N[C@@H](Cc1ccccc1)c1[nH]c2c(n1)cccc2	PC-id_37799059	430.502	OIYFTBQDAYPGHU-FQEVSTJZSA-N	00000000100000110101000001000010000000000000000000000000	31-01-129521
O=C1NCCN1c1cc(ccc1C)C(=O)N1CCc2n(CC1)c(nn2)Cc1ccccc1	ChEMBL-DNDi_CHEMBL44496456	430.502	NRRGKUPFTIVEAG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129522
O=C(Cn1c(COc2ccccc2)nc2ccccc12)NCc1nnc2n1CCCCC2	PC-id_17464555,ZINC22_12541202,MCULE-9088695919,CoCoCo_4595173,EMOLS-id_13518300	430.502	OHCUFDZDUVMFIS-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-129523
O=C(N1CCn2c(nnc2CCNC(=O)c2ccc(cc2)C)CC1)/C=C/c1ncccc1	PC-id_42167999	430.502	LLDDJDWMUSVWKF-MDZDMXLPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-129524
O=C(N1CCn2c(nnc2CCNC(=O)c2ccc(cc2)C)CC1)C=Cc1ncccc1	PC-id_74780570	430.502	LLDDJDWMUSVWKF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-129525
s1c2CCCCCc2nc1NC(=O)c1cc([N+](=O)[O-])c(Sc2n(C)cnn2)cc1	PC-id_26157983	430.504	QJBILTMGTTWUPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129526
c1(c2CCCCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1ccc(cc1)OC	MCULE-1791693968,TIMTEC403546,EMOLS-id_4115291,PC-id_17376998,CoCoCo_6832055,ZINC22_17096996	430.517	QJXBZJJKBXHNMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129527
c1(c2CCCCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1ccccc1OC	ZINC22_17097008,MCULE-1045490450,TIMTEC605639,PC-id_17377019,EMOLS-id_4115301,CoCoCo_6831904	430.517	ZVLRETZLXYSJAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129528
c1(c2CCCCCc2sc1NC(=O)CCCC(=O)O)C(=O)Nc1cccc(OC)c1	MCULE-3197926682,PC-id_17377002,ZINC22_17097009,CoCoCo_6832054,TIMTEC262475,EMOLS-id_4115303	430.517	KILQNIBTHJEJRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129529
c1(c2CCCCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1ccccc1OCC	ChEMBL-DNDi_CHEMBL3261-1051,ChEMBL-DNDi_CHEMBL1525875,MCULE-8972566313,ZINC22_709600,CHEMBL1525875,PC-id_1038670,EMOLS-id_2387030,CK1204641,CoCoCo_1731295	430.517	BYUNIXCXMTZCHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129530
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC(=O)Nc1cc(ccc1OC)C	PC-id_45647908	430.517	ASBFOFWPULUHBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129531
s1c2c(CCCCC2)c(c1NC(=O)C1CCN(CC1)C(=O)c1ccoc1)C(=O)OC	PC-id_52638618	430.517	XOUNHBDPSAVFNO-UHFFFAOYSA-N	00000000101010000100000000000010000000000000000000000000	31-01-129532
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_41564890	430.517	UUEGNVAQCWIZFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129533
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(OCC)cc1)C(=O)NC(=O)OC	PC-id_41565467	430.517	MLSVQKSJLXBOEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129534
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cccnc1)CC)C(=O)OCC	PC-id_24083131	430.517	SMUCLBGVBIKYFT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-129535
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(N)cc1)CC)C(=O)OC	PC-id_23803385	430.517	HEAXJTHUSGVZTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129536
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(N)cc1)C)C(=O)OCC	PC-id_23744881	430.517	CEAHASNJRFZROT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129537
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccncc1)CC)C(=O)OCC	PC-id_23972363	430.517	GTJUUFYTTWKJHL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-129538
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc(N)ccc1)CC)C(=O)OC	PC-id_23888364	430.517	LAVYJKXUCKQNQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129539
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc(N)ccc1)C)C(=O)OCC	PC-id_23860316	430.517	CEWANAKTEUNYFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129540
s1c2CCCCCCc2cc1C(=O)OCC(=O)N1CCN(CC1)C(=O)c1occc1	PC-id_24341568	430.517	FGMJJIWTTKEIPB-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-129541
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cccnc1)CC)C(=O)OC	PC-id_23860596	430.517	LNCFCSSFTYISNM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-129542
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cccnc1)C)C(=O)OCC	PC-id_24027635	430.517	JRMJSTNZJUGHRU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-129543
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(N)cc1)C)C(=O)OC	PC-id_23744882	430.517	TZDPZDHTEAVTNE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129544
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1ccc(N)cc1)C(=O)OCC	PC-id_23859924	430.517	BKADAIFWMPTQFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129545
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccncc1)CC)C(=O)OC	PC-id_24055548	430.517	IGJBVNYUKLCBNF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-129546
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccncc1)C)C(=O)OCC	PC-id_23944067	430.517	GAQYIRGYNYQKTQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-129547
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc(N)ccc1)C)C(=O)OC	PC-id_23944072	430.517	IGMXCLHQZWRPPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129548
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1cc(N)ccc1)C(=O)OCC	PC-id_24082496	430.517	HCWHEHIQNUCNNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129549
CC(CC(c1nnc2n1CCN(CC2)C(=O)c1ccc(cc1)F)NC(=O)CN(C)C)C	PC-id_45929121,ChEMBL-DNDi_CHEMBL14802127	430.519	OEWNREFIVTVZLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129550
COc1ccc(cc1CN1CCN(CC1)C(=O)NCCc1nnc2n1CCCCC2)F	PC-id_112818098	430.519	IJPHYEVNMFECNL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129551
Fc1cc(c(N2CCN(CC2)C)cc1)C(NC(=O)Cn1nc2n(CCCCC2)c1=O)C	PC-id_56331981	430.519	BSNFQJGBLVYRHZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129552
s1c2CCCCCc2cc1C(=O)NNC(=O)c1n(c2ccc(F)cc2)c(=S)[nH]c1	PC-id_24554119	430.519	WNWZSFIOWNNSSL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129553
COc1ccc2[nH]cc(CCNC(=O)c3ccc4CN(CCCn34)S(=O)(=O)C)c2c1	EMOLS-id_317416285,MCULE-7505730683	430.521	PKRIOVYYTYAXBT-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-129554
COc1cc(ccc1[N+](=O)[O-])C(=O)N1CCCN(c2c1ccs2)CCN1CCCC1	PC-id_139709983	430.521	ZUDSOGQMWPUTMK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-129555
O1C(CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1cc(OCC)c(O)cc1	PC-id_74801877	430.521	DEJSJEOGBWYFCO-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-129556
O1C(CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1	PC-id_74780811	430.521	JMLFECXMVYSTNE-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-129557
O1[C@@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1cc(OCC)c(O)cc1	PC-id_42421259	430.521	DEJSJEOGBWYFCO-SFHVURJKSA-O	00000010100000110101000000000010000000000000000000000000	31-01-129558
O1[C@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1cc(OCC)c(O)cc1	PC-id_42421266	430.521	DEJSJEOGBWYFCO-GOSISDBHSA-O	00000010100000110101000000000010000000000000000000000000	31-01-129559
O1[C@@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1	PC-id_42169688	430.521	JMLFECXMVYSTNE-SFHVURJKSA-O	00000010100000110101000000000010000000000000000000000000	31-01-129560
O1[C@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1	PC-id_42169689	430.521	JMLFECXMVYSTNE-GOSISDBHSA-O	00000010100000110101000000000010000000000000000000000000	31-01-129561
s1c2CCCCCCc2cc1C(=O)OCCCn1c(=O)c2n(cnc2n(c1=O)C)C	PC-id_24341549	430.521	OOLDIKCHYYXTGY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129562
CC(C)[C@@H](C(=O)NCc1nnc2n1CCCCC2)N=C1c2ccccc2S(=O)(=O)N1	PC-id_136039036	430.524	BJNLQJZAFRGROS-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-129563
S1(=O)(=O)N=C(NC(C(C)C)C(=O)NCc2n3CCCCCc3nn2)c2c1cccc2	PC-id_76274582	430.524	BJNLQJZAFRGROS-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-129564
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)[O-])C3)sc2c1CCCCCCC2	PC-id_27526944,GD-id_ZINC17097627	430.537	XCVAABAQVYBWMI-JFTQMJAMSA-M	00000011100000000100000000000110000000000000000000000000	31-01-129565
s1c(NC(=O)C2C3CC(C2C(=O)[O-])C=C3)c(c2c1CCCCCCC2)C(=O)OCC	PC-id_74534358	430.537	XCVAABAQVYBWMI-UHFFFAOYSA-M	00000011100000000100000000000110000000000000000000000000	31-01-129566
s1c(NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCCC2)C(=O)OCC	PC-id_27526946	430.537	XCVAABAQVYBWMI-DACLVMHWSA-M	00000011100000000100000000000110000000000000000000000000	31-01-129567
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCCC2)C(=O)OCC	PC-id_51389571	430.537	XCVAABAQVYBWMI-BODMPHMZSA-M	00000011100000000100000000000110000000000000000000000000	31-01-129568
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCCCC2)C(=O)OCC	PC-id_51705325	430.537	XCVAABAQVYBWMI-NONVJHHQSA-M	00000011100000000100000000000110000000000000000000000000	31-01-129569
c1(NC(=O)CCC(=O)N2CCN(CC2)c2ccccc2F)sc2c(CCCCC2)n1	EMOLS-id_334804511,MCULE-2312908213	430.539	QQWQBPFIABVKOM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129570
c1(NC(=O)CCC(=O)N2CCN(CC2)c2ccc(cc2)F)sc2c(CCCCC2)n1	MCULE-7978973522,EMOLS-id_334800661	430.539	YAYSMZCEQZKIKP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129571
Fc1ccc(cc1)CNC(=O)C1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112838297	430.539	OWQKYSZRGTWNGA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129572
OCC/C(=NOC)/c1c(C=C=CC)n(c2c1C=C(C=CC2)C(=O)c1ccccc1C)CC	PC-id_143968776	430.539	QMMTZLCVRUKTDJ-WEMUOSSPSA-N	00000000100000110110000000000010000000000000000000000000	31-01-129573
c1(NC(=O)CSc2oc3c(cccc3)n2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_5021960,ZINC22_12139833,PC-id_4159557,EMOLS-id_30110092,MCULE-9350268448	430.54	DXHGGJPAZCXVDS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129574
O=c1n2CCCCCc2nn1CC(=O)NC(c1cc(OC)c(OCCCCC)cc1)C	PC-id_55747409	430.54	YDDKKNHOXSRJDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129575
O=c1n2CCCCCc2nn1CC(=O)NC(c1cc(OC)c(OCCC(C)C)cc1)C	PC-id_78890764	430.54	DRLABJOPIREBIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129576
O=c1n2CCCCCc2nn1CC(=O)N(CCC)Cc1cc(OC)c(OCCC)cc1	PC-id_55583275	430.54	YXSQYDWHXGTJON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129577
O=C(c1cc2c(s1)CCCCC2)Nc1ccc(cc1)S(=O)(=O)NCc1ccco1	PC-id_16317465,MCULE-7287706570,CoCoCo_4084735,EMOLS-id_7838287	430.54	ZLJDWNATDIEHDA-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-129578
s1c2c(CCCCC2)c(c1NC(=O)CCSc1oc2c(n1)cccc2)C(=O)OC	PC-id_23804530	430.54	SRBASBHNUCMOQQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129579
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCC(=O)c1sc(cc1)C)C#N	PC-id_29485086	430.54	IYJNHZIZCRUGNX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-129580
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCC(=O)c1sccc1)C)C#N	PC-id_55417936	430.54	FNHJWBMKVJQMDA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-129581
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1oc2c(n1)cccc2)C)C(=O)OC	PC-id_24053693	430.54	RDWRRLMSEXZXPM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129582
s1c2c(CCCCCC2)c(c1NC(=O)CSc1oc2c(n1)cccc2)C(=O)OC	PC-id_19727846	430.54	HCARJYAIABABSC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129583
s1c2CCCCCCc2nc1NC(=O)c1occc1CS(=O)(=O)c1ccccc1	PC-id_56020828	430.54	QXCHHVHBFFGHKA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129584
c12C(=O)N(CCCn1nc(C(=O)NC(C)CCc1ccccc1)c2)Cc1cccc(C)c1	EMOLS-id_32633172,PC-id_53086384,MCULE-8695624384	430.542	JMYRBRLTYRPMDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129585
Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@H](CCc1ccccc1)C	PC-id_95074015	430.542	JMYRBRLTYRPMDT-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129586
Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@@H](CCc1ccccc1)C	PC-id_95074016	430.542	JMYRBRLTYRPMDT-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129587
COc1ccc(C2(C(=O)N3CCc4nnc(Cc5ccccc5)n4CC3)CCCC2)cc1	PC-id_30936689,ZINC22_23231814,EMOLS-id_24855739,CoCoCo_1289755,MCULE-6755310780	430.542	PTZIFVMUMOARGQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129588
O=C1N(CCCn2nc(cc12)C(=O)NC(CCc1ccccc1)C)Cc1ccc(cc1)C	PC-id_50797961	430.542	AIQATTFWLBZXSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129589
O=C(N(C1CCc2c1cccc2)Cc1ccc(cc1)C)Cn1nc2n(CCCCC2)c1=O	PC-id_55990754	430.542	CYSYJSMZARHVRL-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-129590
c1(cc(oc1C)C)C(=O)N1CCn2c(CC1)nnc2C(CC(C)C)NC(=O)CN(C)C	ChEMBL-DNDi_CHEMBL54875730,EMOLS-id_20615651,PC-id_45220281,MCULE-2609859795	430.544	OMPICKJKYJEFHB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129591
c1(NC(=O)CSc2nnc3ccccn23)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_2484919,PC-id_2056007,MCULE-7267384091,EMOLS-id_2212399,CoCoCo_930995	430.544	JVXNYCSORPISBV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129592
Cc1cc(C(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)c(C)o1	ZINC22_14959092	430.544	OMPICKJKYJEFHB-GOSISDBHSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129593
Cc1cc(C(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)c(C)o1	ZINC22_14959096	430.544	OMPICKJKYJEFHB-SFHVURJKSA-N	00000000101000000101000000000010000000000000000000000000	31-01-129594
C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccncc1	CHEBI:113377,CHEMBL1864660,PC-id_44495965	430.544	NJZPXWDDBMYIMJ-WAOWUJCRSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129595
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)Cc1ccncc1)nn2)C	PC-id_134828918	430.544	SEFXYHALDKTWBK-WFXMLNOXSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129596
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)Cc1ccncc1)nn2)C	PC-id_134828953	430.544	SEFXYHALDKTWBK-DBXWQHBBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129597
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)Cc1cnccc1)nn2)C	PC-id_134828930	430.544	KUAVRJZUNQDQRS-DBXWQHBBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129598
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)Cc1cnccc1)nn2)C	PC-id_134828934	430.544	KUAVRJZUNQDQRS-WFXMLNOXSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129599
C[C@@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)Cc1cnccc1)nn2)C	PC-id_134828956	430.544	KUAVRJZUNQDQRS-LVCYWYKZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129600
C[C@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)Cc1cnccc1)nn2)C	PC-id_134829001	430.544	KUAVRJZUNQDQRS-UEXGIBASSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129601
CCNC(=NCc1cc(OC)c(c(c1)OC)OC)NCCc1nnc2n1CCCCC2	PC-id_111376992	430.544	LSKXISLWHZZGJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129602
CN=C(NCc1cc(OC)c(c(c1)OC)OC)NCCCc1nnc2n1CCCCC2	PC-id_111377847	430.544	NEBBKESIWKNGCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129603
COCCN1Cc2c(C1)[nH]nc2CC1CN(Cc2c(C1)[nH]nc2C(C)C)C(=O)COC	SCHEMBL19297237	430.544	ZDFHLRQLFKBQKB-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-129604
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O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cccnc1)C	PC-id_75036179	430.544	QSHHTQCGWZKCKD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129606
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cccnc1)C	PC-id_75036176	430.544	BVMGYWBUQYFDAA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129607
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cccnc1)C	CHEBI:95618,PC-id_44505474	430.544	QSHHTQCGWZKCKD-WAOWUJCRSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129608
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cccnc1)C	CHEBI:96821,PC-id_44505023	430.544	QSHHTQCGWZKCKD-WFXMLNOXSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129609
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O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cccnc1)C	PC-id_44505215,CHEBI:113278	430.544	QSHHTQCGWZKCKD-UEXGIBASSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129611
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cccnc1)C	PC-id_44505219,CHEBI:97027	430.544	QSHHTQCGWZKCKD-LQWHRVPQSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129612
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cccnc1)C	PC-id_44505223,CHEBI:113405	430.544	QSHHTQCGWZKCKD-OPYAIIAOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129613
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cccnc1)C	PC-id_44505876,CHEBI:96989	430.544	QSHHTQCGWZKCKD-LVCYWYKZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129614
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cccnc1)C	PC-id_44506048,CHEBI:96258	430.544	QSHHTQCGWZKCKD-DBXWQHBBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129615
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccncc1)C	CHEBI:113371,PC-id_44494938	430.544	QXBLKCOAOVMUQM-LQWHRVPQSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129616
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O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccncc1)C	CHEBI:96729,PC-id_44494080	430.544	QXBLKCOAOVMUQM-DBXWQHBBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129619
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccncc1)C	CHEBI:96944,PC-id_44495967	430.544	QXBLKCOAOVMUQM-WFXMLNOXSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129620
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccncc1)C	PC-id_44493076,CHEBI:113508	430.544	QXBLKCOAOVMUQM-BBTUJRGHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129621
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccncc1)C	PC-id_44494079,CHEBI:95515	430.544	QXBLKCOAOVMUQM-LVCYWYKZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129622
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccncc1)C	PC-id_44495966,CHEBI:96837	430.544	QXBLKCOAOVMUQM-WAOWUJCRSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129623
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cccnc1)C	CHEBI:112628,PC-id_44505029	430.544	BVMGYWBUQYFDAA-LQWHRVPQSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129624
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cccnc1)C	CHEBI:96746,PC-id_44505872	430.544	BVMGYWBUQYFDAA-WFXMLNOXSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129625
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cccnc1)C	CHEBI:96790,PC-id_44505871	430.544	BVMGYWBUQYFDAA-DBXWQHBBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129626
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cccnc1)C	CHEBI:96819,PC-id_44505881	430.544	BVMGYWBUQYFDAA-OPYAIIAOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129627
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cccnc1)C	CHEBI:96828,PC-id_44505880	430.544	BVMGYWBUQYFDAA-UEXGIBASSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129628
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cccnc1)C	CHEBI:96971,PC-id_44505879	430.544	BVMGYWBUQYFDAA-BBTUJRGHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129629
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cccnc1)C	PC-id_44505014,CHEBI:112566	430.544	BVMGYWBUQYFDAA-WAOWUJCRSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129630
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cccnc1)C	PC-id_44506045,CHEBI:96787	430.544	BVMGYWBUQYFDAA-LVCYWYKZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129631
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccncc1)C	CHEBI:96355,PC-id_44495439	430.544	NJZPXWDDBMYIMJ-WFXMLNOXSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129632
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccncc1)C	CHEBI:96593,PC-id_44492581	430.544	NJZPXWDDBMYIMJ-DBXWQHBBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129633
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccncc1)C	CHEBI:96968,PC-id_44494078	430.544	NJZPXWDDBMYIMJ-LQWHRVPQSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129634
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccncc1)C	CHEMBL1876817,PC-id_44493075	430.544	NJZPXWDDBMYIMJ-BBTUJRGHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129635
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccncc1)C	PC-id_44493580,CHEBI:113500	430.544	NJZPXWDDBMYIMJ-OPYAIIAOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129636
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccncc1)C	PC-id_44495438,CHEBI:96014	430.544	NJZPXWDDBMYIMJ-UEXGIBASSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129637
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccncc1)C	PC-id_44495964,CHEBI:96518	430.544	NJZPXWDDBMYIMJ-LVCYWYKZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129638
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCc1onc(n1)c1sccc1	PC-id_40394292	430.544	VHDHJRXPZDGUAL-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-129639
s1c2CCCCCc2c(c1NC(=O)COC(=O)CSc1nc(cc(n1)C)C)C#N	PC-id_29513323	430.544	JRYZIFDMRKTYQA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-129640
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1sc2ncn(c(=O)c2c1C)C	PC-id_25444178	430.544	FOPVQODZTUZNLK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129641
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1onc(n1)c1ccsc1	PC-id_24503162	430.544	IGTLCUXLGLXCQM-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-129642
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cn(nc1)c1ccccc1	PC-id_56129339	430.544	GEDSJEZXGIFTDW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129643
s1c2CCCCCCc2nc1NC(=O)CSc1oc(nn1)c1ccc(OC)cc1	PC-id_60571950	430.544	FKCXQEIBIPLCDC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129644
c1(c2CCCCCc2n[nH]1)C(=O)N1CCCC1c1cc(cc(C)n1)Nc1c(cccn1)C	EMOLS-id_191915,BDE-25407059,PC-id_110262828,MCULE-2054968996	430.545	ZMPXATUZJPSPSR-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-129645
c1(c2CCCCCCc2[nH]n1)C(=O)N1CCCC1c1cc(cc(C)n1)Nc1ccccn1	BDE-25408769,PC-id_110262859,MCULE-6908193263,EMOLS-id_191977	430.545	CQDHVDLXFXMOEL-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-129646
c1(C(=O)N2CCC(CC2)c2cccc(Nc3ccccn3)n2)c2CCCCCCc2[nH]n1	ZINC22_257231849,MCULE-6843784143,PC-id_110093959,EMOLS-id_171715417,LAS-26608615	430.545	GIJODDLSMJFFCH-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-129647
Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCCCCC3)n1	PC-id_95832766,ZINC22_72372656	430.545	CQDHVDLXFXMOEL-QFIPXVFZSA-N	00000010100000101101100000000010000000000000000000000000	31-01-129648
Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCCCCC3)n1	ZINC22_72372657,PC-id_95832767	430.545	CQDHVDLXFXMOEL-JOCHJYFZSA-N	00000010100000101101100000000010000000000000000000000000	31-01-129649
Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)c2[nH]nc3c2CCCCC3)n1	PC-id_95832704,ZINC22_72372594	430.545	ZMPXATUZJPSPSR-QFIPXVFZSA-N	00000010100000101101100000000010000000000000000000000000	31-01-129650
Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)c2[nH]nc3c2CCCCC3)n1	PC-id_95832705,ZINC22_72372595	430.545	ZMPXATUZJPSPSR-JOCHJYFZSA-N	00000010100000101101100000000010000000000000000000000000	31-01-129651
O=C(NCc1nnc2n1CCN(CC2)C/C(=C/c1ccccc1)/C)CCc1cccnc1	ChEMBL-DNDi_CHEMBL37532316	430.545	BATXNNIAVMOOBT-CAPFRKAQSA-N	00000000100000111101000000000010000000000000000000000000	31-01-129653
s1c(nc(C2C(=[N+](CC(C)C)C(=O)N(C2=O)C)N)c1)Cc1n2CCCCCc2nn1	PC-id_73392145	430.547	JPUCJNJRKSQINF-UHFFFAOYSA-O	00000000100011000101100000000010000000000000000000000000	31-01-129654
c1(NC(=O)Cc2ccc(c(OCC)c2)OCC)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_6783389,ZINC22_3619562,MCULE-5874494982,PC-id_4273843,CoCoCo_1966228	430.56	WHJSLCAGDZIWJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129655
Cc1c(c2c([nH]1)CCCCC2CC(=O)O)Cc1ccc(cc1)S(=O)(=O)N1CCCC1	PC-id_90979379	430.56	ZOOTWZWGRWQWER-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-129656
Cc1c(c2c([nH]1)CCCCC2CC(=O)O)Cc1ccccc1S(=O)(=O)N1CCCC1	PC-id_91289307	430.56	NPFGJMQHBFNQIE-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-129657
CCOc1ccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCC3)cc1OCC	CoCoCo_3200548,EMOLS-id_24146301,ZINC22_13008375,MCULE-4944472476,PC-id_24982806	430.56	CQTIKLULPFIBEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129658
OC(=O)Cn1c(C)c(c2c1CCCCC2)Cc1ccccc1S(=O)(=O)N1CCCC1	PC-id_58564149,SCHEMBL3374762	430.56	KSJIMRNPAYQSNZ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-129659
OC(=O)Cn1c(C)c(c2c1CCCCC2)Cc1ccc(cc1)S(=O)(=O)N1CCCC1	SCHEMBL3374750,PC-id_45255014	430.56	RUOUNJOONHYUKL-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-129660
s1c2CCCCCCc2cc1C(=O)NCc1cc(OC)c(OCC(=O)N(C)C)cc1	PC-id_46477183	430.56	MRGLBQPSEUFTLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129661
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(cccc1)C(=O)OC	PC-id_30377221	430.56	FOAYYWFYMJHWJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129662
s1c2CCCCCCCCCCc2nc1NC(=O)COc1ccc(cc1)C(=O)OC	PC-id_30377225	430.56	VXNPNFXJNLISOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129663
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(OC)cc(cc1)C=O	PC-id_30377228	430.56	IEWZLWJRFLSDAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129664
CCNC(=NCC(Oc1cccc(c1)F)CC)NCCCc1nnc2n1CCCCC2	PC-id_109475493	430.562	BTOQPWRTMNCWOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129665
CCNC(=NCC(Oc1ccccc1F)CC)NCCCc1nnc2n1CCCCC2	PC-id_112084335	430.562	OFHRUKWAFKALPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129666
CC(C)N1CCCn2cc(cc2C1=O)S(=O)(=O)N1CCN(CC1)c1cccc(C)c1	PC-id_53182973,EMOLS-id_33087988,MCULE-9018744918	430.564	FBUIYSZDONRYDE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129667
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1	MCULE-8729078705,EMOLS-id_33087198,PC-id_53182908	430.564	NTQXZCKCXPORPS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129668
N#Cc1c(NC(=O)CCN2CCN(CC2)C(=O)C2CCCO2)sc2c1CCCCC2	PC-id_4832751,MCULE-9151891888,EMOLS-id_3309643	430.564	QCQACLCQSITINL-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-129669
N#Cc1c(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)sc2c1CCCCC2	CoCoCo_3587820,ZINC22_23821804,PC-id_2543469	430.564	QCQACLCQSITINL-SFHVURJKSA-N	00000010100010000101000000000010000000000000000000000000	31-01-129670
N#Cc1c(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)sc2c1CCCCC2	ZINC22_23821807,CoCoCo_3587819,PC-id_2543466	430.564	QCQACLCQSITINL-GOSISDBHSA-N	00000010100010000101000000000010000000000000000000000000	31-01-129671
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COC)CC(C)C)CC2)cccc1)CC	PC-id_42372505	430.564	ZCQNEANJTQXSSL-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-129672
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COC)CC(C)C)CC2)cccc1)CC	PC-id_42372509	430.564	ZCQNEANJTQXSSL-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-129673
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)COC)CC(C)C)CC2)cccc1)CC	PC-id_74800345	430.564	ZCQNEANJTQXSSL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-129674
OC(CN1CC[NH+](CC1)Cc1n2CCCCCc2nn1)COCc1c(OC)cccc1	PC-id_75752040	430.564	XNJWXTLNFRZYAU-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-129675
O[C@H](CN1CC[NH+](CC1)Cc1n2CCCCCc2nn1)COCc1c(OC)cccc1	PC-id_51946652	430.564	XNJWXTLNFRZYAU-HXUWFJFHSA-O	00000000100010110101000000000010000000000000000000000000	31-01-129676
O[C@@H](CN1CC[NH+](CC1)Cc1n2CCCCCc2nn1)COCc1c(OC)cccc1	PC-id_51946654	430.564	XNJWXTLNFRZYAU-FQEVSTJZSA-O	00000000100010110101000000000010000000000000000000000000	31-01-129677
O=C(NCc1n2CC[NH+](CC(CCC=C(C)C)C)CCc2nn1)c1oc(cc1)COC	PC-id_74498660	430.564	FQIQFKBRFOAELE-UHFFFAOYSA-O	00000000101000000101000000000010000000000000000000000000	31-01-129678
O=C(NCc1n2CC[NH+](C[C@H](CCC=C(C)C)C)CCc2nn1)c1oc(cc1)COC	PC-id_26343478	430.564	FQIQFKBRFOAELE-SFHVURJKSA-O	00000000101000000101000000000010000000000000000000000000	31-01-129679
O=C(NCc1n2CC[NH+](C[C@@H](CCC=C(C)C)C)CCc2nn1)c1oc(cc1)COC	PC-id_26343480	430.564	FQIQFKBRFOAELE-GOSISDBHSA-O	00000000101000000101000000000010000000000000000000000000	31-01-129680
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(CCC1)C(=O)N1CCOCC1)C#N	PC-id_78836391	430.564	NYGAOQICECNEJS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-129681
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)C1OCCC1)C#N	PC-id_22197240	430.564	RDTRUKBJKXTEMX-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-129682
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1ccccc1)C)CCc1ccccc1	PC-id_74499074	430.565	ZVURMIMNMCSOSV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-129683
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccccc1)C)CCc1ccccc1	PC-id_26347396,GD-id_ZINC14992345	430.565	ZVURMIMNMCSOSV-CDDKBXLESA-O	00000000100000110101000000000010000000000000000000000000	31-01-129684
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccccc1)C)CCc1ccccc1	PC-id_26347399	430.565	ZVURMIMNMCSOSV-LNYGYFNRSA-O	00000000100000110101000000000010000000000000000000000000	31-01-129685
S(c1n2CCCCCc2nn1)C(C(=O)c1c2c([nH]c1)c(CC)ccc2)c1ccccc1	PC-id_24371230	430.565	DYYQRNNUIRSJAS-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-129686
c1(sc(nc1C)C)C(=O)N1CCn2c(CC1)nnc2CCNC(=O)C1CCCCC1	MCULE-7734123849,ChEMBL-DNDi_CHEMBL34408804,EMOLS-id_232734033,ZINC22_12022008,PC-id_42356724	430.567	CQAYJASTYJWGEV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-129687
Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc2sccc2c1=O	MCULE-1306053694,ZINC22_28625169,PC-id_35790633,EMOLS-id_43780580	430.567	HLJBWOYJFPLOEI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129688
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(=O)c2sccc2n1)C)C#N	PC-id_33337672	430.567	JKTCVHOLKGVRSN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129689
S(c1n2CCCCCc2nn1)Cc1nc(N2CCC(CC2)C)ncc1C(=O)OCC	PC-id_52166694	430.567	GKOBVVUSIFSSPH-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-129690
S(c1n2CCCCCc2nn1)Cc1nc(N2CC(CCC2)C)ncc1C(=O)OCC	PC-id_75797937	430.567	LXUVUWPMYHHBDH-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-129691
S(c1n2CCCCCc2nn1)Cc1nc(N2C[C@H](CCC2)C)ncc1C(=O)OCC	PC-id_52166741	430.567	LXUVUWPMYHHBDH-HNNXBMFYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-129692
S(c1n2CCCCCc2nn1)Cc1nc(N2C[C@@H](CCC2)C)ncc1C(=O)OCC	PC-id_52166742	430.567	LXUVUWPMYHHBDH-OAHLLOKOSA-N	00000000100010100101100000000010000000000000000000000000	31-01-129693
N#Cc1c(NC(=O)CSc2nnc(c3cccs3)n2N)sc2c1CCCCC2	ZINC22_9985091,PC-id_16282239,MCULE-2153043851,EMOLS-id_43699445,CoCoCo_2848748	430.57	HOWIBKVHWXMUAM-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-129694
O=C(c1cc2c(s1)CCCCC2)N1CCN(CC1)S(=O)(=O)/C=Cc1ccccc1	CoCoCo_3309963	430.583	LCWWZUGOESPGKK-WJDWOHSUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129695
O=C(c1cc2c(s1)CCCCC2)N1CCN(CC1)S(=O)(=O)C=Cc1ccccc1	MCULE-8105680756,PC-id_4876754	430.583	LCWWZUGOESPGKK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129696
O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	GD-id_ZINC03435656,ZINC22_3435656,CoCoCo_3309962,PC-id_2555448	430.583	LCWWZUGOESPGKK-LFIBNONCSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129697
s1c2c(CCCCC2)c(c1NC(=O)CNC[C@H]([NH+](C)C)c1ccccc1)C(=O)OC	PC-id_29960520	430.583	GPUBHXOUQPYVLC-SFHVURJKSA-O	00000000100000110100000000000010000000000000000000000000	31-01-129698
s1c2c(CCCCC2)c(c1NC(=O)CNC[C@@H]([NH+](C)C)c1ccccc1)C(=O)OC	PC-id_29960525	430.583	GPUBHXOUQPYVLC-GOSISDBHSA-O	00000000100000110100000000000010000000000000000000000000	31-01-129699
s1c2c(CCCCC2)c(c1NC(=O)CNCC([NH+](C)C)c1ccccc1)C(=O)OC	PC-id_74602374	430.583	GPUBHXOUQPYVLC-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-129700
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)C)C(=O)OCC	PC-id_20414132	430.583	NIBCCOMMXOKMPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129701
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)C)C(=O)OCC	PC-id_20414165	430.583	LYSZRDCNFMFRFO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129702
CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=CCN1CCCC1)C	PC-id_87208860,SCHEMBL1175557	430.587	SRZFKBTZQVRCOD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-129703
C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41320316,ZINC22_10022523,CoCoCo_4180910	430.587	TXOUNTYLZDPTCN-ZDUSSCGKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-129704
C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41320321,ZINC22_10022527,CoCoCo_4180911	430.587	TXOUNTYLZDPTCN-CYBMUJFWSA-N	00000000100010000101100000000010000000000000000000000000	31-01-129705
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)/C=C/CN1CCCC1	SCHEMBL1175553,PC-id_57635258	430.587	SRZFKBTZQVRCOD-CSNYQSHPSA-N	00000010100000000101000000000010000000000000000000000000	31-01-129706
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=CCN1CCCC1	SCHEMBL1175560,PC-id_66932246	430.587	SRZFKBTZQVRCOD-HXUWFJFHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-129707
COCCN1CC(CC(c2n[nH]c3c2CN(C3)COC)C)Cc2c(C1)c(n[nH]2)C(C)C	SCHEMBL18798832	430.587	HXYPJOJNIYTHPK-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-129708
N#Cc1c(NC(=O)C(Sc2nnc(o2)C2CCCCC2)C)sc2c1CCCCC2	PC-id_16376422,MCULE-1601899937,EMOLS-id_11833139	430.587	TXOUNTYLZDPTCN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-129709
O1CCN(CCOCCN(Cc2nc([nH]n2)CN(CC1)CC)CC)Cc1ccccc1	PC-id_15048366	430.587	CXXNRMANQMHUKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129710
OCCc1cc2c(s1)CCCN(C2=O)CCCC[NH+]1CCN(CC1)c1ncccn1	GLL_PC-id_44210139	430.587	HMGIWXYUFHYMAG-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-129711
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)CC(=O)NC1CC1)C#N	PC-id_51619984	430.587	XGBRACDQRQVPHR-UHFFFAOYSA-O	00100000100010000101000000000010000000000000000000000000	31-01-129712
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)CC(=O)NC1CC1)C)C#N	PC-id_30614399	430.587	UJUBMLAUXNGUFN-HNNXBMFYSA-O	00100000100010000101000000000010000000000000000000000000	31-01-129713
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)CC(=O)NC1CC1)C)C#N	PC-id_30614404	430.587	UJUBMLAUXNGUFN-OAHLLOKOSA-O	00100000100010000101000000000010000000000000000000000000	31-01-129714
s1c2c(CCCCC2)c(c1NC(=O)C(N1CC[NH+](CC1)CC(=O)NC1CC1)C)C#N	PC-id_85468200	430.587	UJUBMLAUXNGUFN-UHFFFAOYSA-O	00100000100010000101000000000010000000000000000000000000	31-01-129715
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1ncccc1)C(=O)OC	PC-id_19655143	430.587	DDPQOOBTKRLIBS-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-129716
CCC=CC(=CC)C1CC(CCn2c1nc(n2)Nc1ccc(cc1)N1C=CCN=C1)CC	PC-id_91040176	430.588	CHSYQCDTDYQXSA-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-129717
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccccc1)Cc1ccccc1	PC-id_109389558	430.588	UQTSWYVBXWAERS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129718
CCNC(=NCc1nnc2n1CCCCC2)NCCC(c1ccccc1)c1ccccc1	PC-id_111233741	430.588	KAPSEJAOEMLRRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129719
CCNC(=NCC(c1ccccc1)c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111357064	430.588	MDZRGMYAXRUMBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129720
CN=C(NCC(c1ccccc1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111357306	430.588	XVQHQZKEELZTCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129721
CN=C(NCC(c1ccccc1)Cc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_109389890	430.588	ZNKDLSUHSAJAIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129722
CN=C(NCCc1nnc2n1CCCCC2)NCCC(c1ccccc1)c1ccccc1	PC-id_111233589	430.588	ORYAMXVMHIMJSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129723
Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc4n3CCCCC4)c2c1C	CoCoCo_4402840,EMOLS-id_29981495,ZINC22_40019899,PC-id_45861305,MCULE-3905211272	430.59	IOWBLFWFZAYEHO-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-129724
C[C@H](Sc1nnnn1C1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9257046,PC-id_40988329,CoCoCo_4298442	430.59	GMCZQQCJNWSGKQ-ZDUSSCGKSA-N	00000000100010000101100000000010000000000000000000000000	31-01-129725
C[C@@H](Sc1nnnn1C1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9257052,CoCoCo_4298441,PC-id_40988331	430.59	GMCZQQCJNWSGKQ-CYBMUJFWSA-N	00000000100010000101100000000010000000000000000000000000	31-01-129726
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)C(C(=O)N1CCCC1)C	PC-id_109643985	430.59	NBBWCYXDMRVJEC-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-129727
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)CC(=O)NC1CC1	PC-id_111378922	430.59	KHEOFPOPOCOVMY-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-129728
CC(=O)Nc1nnc(s1)N1CCN(CC1)[C@H](C1=Cc2ncsc2C(CC=C1)C)C	SCHEMBL19304476	430.59	YVWRLCHEYGNNPO-KZUDCZAMSA-N	00000000100010000111100000000010000000000000000000000000	31-01-129729
CN=C(N1CCN(CC1)CC(=O)N1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111367173	430.59	PFCIUUNKAAQIFM-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-129730
N#Cc1c(NC(=O)C(Sc2nnnn2C2CCCCC2)C)sc2c1CCCCC2	EMOLS-id_43994219,PC-id_16345836,MCULE-9611021947	430.59	GMCZQQCJNWSGKQ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-129731
s1c2CCCCCc2c(c1NC(=O)CSc1n(N)c(nn1)C1CCCCC1)C#N	PC-id_45608665	430.59	USSNCSQRGLPGMY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-129732
CCCCC(=O)c1c(NC(=O)C(C(C2C=CCC2)C(=O)N)C)sc2c1CCCCC2	PC-id_143167088	430.603	USYVKFWWIJETFL-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-129733
CC(C)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408969266	430.605	KIRUCPFOZFUMNJ-MTDXEUNCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129734
s1c2c(CCCCCC2)c(c1N=Cc1ccc(cc1)C)C(=O)Nc1c(ccc(c1)C)C	PC-id_23878321	430.605	GNISGBBWXYJCIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129735
s1c2c(CCCCCC2)c(c1N=Cc1ccc(cc1)C)C(=O)Nc1cc(cc(c1)C)C	PC-id_23937805	430.605	CQVNVEIQSWECPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129736
s1c2c(CCCCCC2)c(c1N=Cc1ccc(cc1)C)C(=O)Nc1c(c(ccc1)C)C	PC-id_24016056	430.605	BWYDEKOGLANJAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129737
s1c2c(CCCCCC2)c(c1N=Cc1ccc(cc1)C)C(=O)Nc1cc(c(cc1)C)C	PC-id_24023287	430.605	SQKYUKWFAAPXNG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129738
N#Cc1c(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)sc2c1CCCCC2	GD-id_ZINC17307880	430.607	SSOPCXGUZREPOT-INIZCTEOSA-O	00000010100100000100000000000010000000000000000000000000	31-01-129739
N#Cc1c(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)sc2c1CCCCC2	GD-id_ZINC17307881	430.607	SSOPCXGUZREPOT-MRXNPFEDSA-O	00000010100100000100000000000010000000000000000000000000	31-01-129740
s1c2c(CCCCC2)c(c1NC(=O)C(N1CC(CCC1)CNC(=O)CCC)C)C#N	PC-id_56376952	430.607	VLKRKKFIKSAPEQ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-129741
s1c2c(CCCCC2)c(c1NC(=O)CN1C(CCC(C1)C(=O)NCCCC)C)C#N	PC-id_56069013	430.607	OMGXLUZCWSQJKJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-129742
S=c1n(nc2n1CCCCC2)CN1CCC(CC1)CCc1cc(OC)cc(OC)c1	PC-id_24606187	430.607	SXCVVQPKRREXPC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129743
S=c1n(nc2n1CCCCC2)C[NH+]1CC[NH+](CC1)CC(=O)Nc1c(c(ccc1)C)C	PC-id_9245436	430.61	COQPTOJJAJUTAT-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-129744
S=c1n(nc2n1CCCCC2)C[NH+]1CC[NH+](CC1)CC(=O)Nc1c(cccc1C)C	PC-id_9330271	430.61	VMJFATPDPMJDOS-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-129745
c1(NC(=S)Nc2ccc(cc2)C(C)C)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC539230,CoCoCo_6800635,MCULE-9208202864,ZINC22_5948039,PC-id_3301614,EMOLS-id_4115634	430.626	WZJPGPVAULOXGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129746
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(CC)cccc1CC)C(=O)OCC	PC-id_20410661	430.626	JJVSGUSJUPRUMP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129747
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1C)C(=O)OCC	PC-id_20415686	430.626	ARXGYNOFDAAKHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129748
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(CCCC)cc1)C(=O)OCC	PC-id_20410971	430.626	SNDCIAVGNPGWFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129749
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(C(CC)C)cc1)C(=O)OCC	PC-id_20411028	430.626	NYTJANOTBWMVAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129750
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(CCCC)cccc1)C(=O)OCC	PC-id_20412844	430.626	MUYUYBXLQBNGNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129751
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(C(CC)C)cccc1)C(=O)OCC	PC-id_20412931	430.626	ASWGRNFRKGFNRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129752
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(C(C)(C)C)cccc1)C(=O)OCC	PC-id_20413002	430.626	SWACTYWUSDCADC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129753
s1c2c(CCCCC2)c(c1NC(=S)NC(c1cc(c(cc1)C)C)C)C(=O)OCC	PC-id_19675039	430.626	ZFZGUTUFVDISFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129754
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(cc1)CC)C)C(=O)OCC	PC-id_19675126	430.626	RITLXCOHQADTKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129755
s1c2c(CCCCC2)c(c1NC(=S)NC(c1c(ccc(c1)C)C)C)C(=O)OCC	PC-id_19675210	430.626	GWCFXRKZDAJLSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129756
s1c2c(CCCCC2)c(c1NC(=S)NC(c1c(cc(cc1)C)C)C)C(=O)OCC	PC-id_19675287	430.626	VSFGHBHFCIOOQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129757
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(C(C)C)cc1)C)C(=O)OC	PC-id_19675531	430.626	FKYAVRBEPCJWDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129758
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(CCC)cc1)C)C(=O)OC	PC-id_20168395	430.626	ITVYUHNCJBWICI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129759
s1c2c(CCCCC2)c(c1NC(=S)NC(CCc1ccccc1)C)C(=O)OCC	PC-id_19651881	430.626	PDVMFAUHBSISKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129760
s1c2c(CCCCC2)c(c1NC(=S)NC(CC)c1ccc(cc1)C)C(=O)OCC	PC-id_19675451	430.626	JYBAKCIDIOYBFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129761
s1c2c(CCCCC2)c(c1NC(=S)NCCCCc1ccccc1)C(=O)OCC	PC-id_19650207	430.626	VLKOESGNDYXUEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129762
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc(cc1C)C)C)C(=O)OCC	PC-id_20410496	430.626	ZLVAJBLRCJUXFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129763
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(CC)cccc1CC)C(=O)OC	PC-id_20410654	430.626	WSHGHPXUBROMGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129764
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(CC)cccc1C)C(=O)OCC	PC-id_20410583	430.626	XJAUWMLLUODLTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129765
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1C)C(=O)OC	PC-id_20415679	430.626	JDTCPYOKDJOYNA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129766
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1)C(=O)OCC	PC-id_20410918	430.626	OJJFXPNFOWYDLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129767
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(CCCC)cc1)C(=O)OC	PC-id_20410965	430.626	YGPFDIDLSVKCCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129768
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(C(CC)C)cc1)C(=O)OC	PC-id_20411022	430.626	YYLWBKXUNFQROY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129769
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(CCCC)cccc1)C(=O)OC	PC-id_20412837	430.626	DAOCWDIKDRWUSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129770
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(C(CC)C)cccc1)C(=O)OC	PC-id_20412924	430.626	MGVINGQRQRFDGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129771
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(C(C)(C)C)cccc1)C(=O)OC	PC-id_20412995	430.626	JXXKDTCBUSIIIH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129772
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1cc(c(cc1)C)C)C)C(=O)OC	PC-id_19675032	430.626	RFXOLOTYXJIJGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129773
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(cc1)CC)C)C(=O)OC	PC-id_19675119	430.626	FSCKIUYZDVLANP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129774
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(ccc(c1)C)C)C)C(=O)OC	PC-id_19675203	430.626	BQWGGNPOQNSWOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129775
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(cc(cc1)C)C)C)C(=O)OC	PC-id_19675280	430.626	FZGLVJBVTXLXBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129776
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(cc1)C)C)C(=O)OCC	PC-id_19649886	430.626	JCMIMLCOMPMRTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129777
s1c2c(CCCCCC2)c(c1NC(=S)NC(CCc1ccccc1)C)C(=O)OC	PC-id_19651874	430.626	OZQIRFTUFUADJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129778
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC)c1ccc(cc1)C)C(=O)OC	PC-id_19675444	430.626	FHXORSURCXNBFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129779
s1c2c(CCCCCC2)c(c1NC(=S)NCCCc1ccccc1)C(=O)OCC	PC-id_19650128	430.626	VUUZKAGZPVWTKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129780
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC)c1ccccc1)C(=O)OCC	PC-id_19675359	430.626	FCKQBDBSUVXFGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129781
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCc1ccccc1)C(=O)OC	PC-id_19650201	430.626	FOEMISJLHIFYDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129782
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(CC1)OCC1CCCC1	PC-id_112086859	430.63	QFNVFKIENPOOEM-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-129783
[Si](CCOCOC1C(CCC#CC(O)C(c2oc1c(c2)C)C(=C)C)C(=C)C)(C)(C)C	PC-id_85243472	430.652	NANWYBSJDUZCAE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-129784
[Si](CCOCOC1C(CCC#CCOCC(=Cc2oc1c(c2)C)C)C(=C)C)(C)(C)C	PC-id_85190895	430.652	NGHCBGUWBPGDSS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-129785
[Si](CCOCO[C@H]1[C@@H](CCC#C[C@@H](O)[C@H](c2oc1c(c2)C)C(=C)C)C(=C)C)(C)(C)C	PC-id_10717539	430.652	NANWYBSJDUZCAE-JIEYXDDVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-129786
[Si](CCOCO[C@@H]1[C@@H](CCC#C[C@@H](O)[C@H](c2oc1c(c2)C)C(=C)C)C(=C)C)(C)(C)C	PC-id_10788781	430.652	NANWYBSJDUZCAE-KWLZBDKBSA-N	00000000100000000110000000000010000000000000000000000000	31-01-129787
[Si](CCOCO[C@@H]1[C@@H](CCC#CCOCC(=Cc2oc1c(c2)C)C)C(=C)C)(C)(C)C	PC-id_10574686	430.652	NGHCBGUWBPGDSS-UKILVPOCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-129788
[Si](CCOCO[C@H]1[C@@H](CCC#CCOCC(=Cc2oc1c(c2)C)C)C(=C)C)(C)(C)C	PC-id_10836408	430.652	NGHCBGUWBPGDSS-ZCYQVOJMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-129789
CCN1CC(CSc2n[nH]c3c2CN(CCC3)C(C)C)Cc2c(C1)c(n[nH]2)C(C)C	PC-id_139513752,SCHEMBL21385784	430.653	LOQVEIBVZJQUCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129790
Ic1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1Cl	PC-id_60445068	430.671	JDOYJBAIRYNUGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129791
Ic1c(C(=O)NCc2n3CCCCCc3nn2)cc(Cl)cc1	PC-id_60445067	430.671	BLKHSPNGFZCXAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129792
s1c2c(c(c1CCCCCCCCCCCC2)Cc1ccccc1)Cc1ccccc1	PC-id_10788785	430.688	ODPKIRRGDUDZGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129793
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1Cl)F)c2)Cc1ccc(cc1)F	MCULE-8265548493,EMOLS-id_32632856,PC-id_53034504	430.835	KMBYUVWLXANRPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129794
Clc1cc(F)c(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccc(F)cc2)cc1	PC-id_53086344	430.835	NFXDAWXEBZKNAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129795
C1CCCc2c(CC1)c(c(s2)NC(=O)C(F)(F)F)C(=O)Nc1ccc(cc1)Cl	PC-id_87627748,SCHEMBL4151223	430.872	OKXJFVNRIRUSON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129796
Fc1ccc(cc1)n1nc(c(c1Cl)C(=O)NCCCc1nnc2n1CCCCC2)C	PC-id_86884600	430.906	LSOKTVFMLYMBIA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129797
c1(C(=O)OC)nc(sc1c1ccc(cc1)Cl)NC(=O)c1c2CCCCCc2[nH]n1	MCULE-8751691963,EMOLS-id_323253683	430.908	KQSQQPOVGLIGCW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129798
Clc1c(C2(N(C(=O)Cn3nc4n(CCCCC4)c3=O)C)CCCCC2=O)cccc1	PC-id_55670441	430.928	PZCFWOXBXQNRQV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129799
OCCOCCn1ccc2c1CC(=NC=N2)Nc1ccc(c(c1)Cl)O/C(=C/C)/CC	PC-id_143148823	430.928	NYHVBWOJHWXFEM-IJUHEHPCSA-N	00000000100000110111000000000010000000000000000000000000	31-01-129800
C1CC(=CCC(C=C1)C#CC1=Cc2c(C=C(CC1)Cl)nc([nH]2)SCC(=O)O)CO	PC-id_91153411	430.948	VYKVTWGHXHCYNR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-129801
CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Cl	CoCoCo_4570506,PC-id_41739532,ZINC22_10946860	430.951	AWKAGDPGKDWSIG-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129802
CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1Cl	PC-id_41739535,ZINC22_10946865,CoCoCo_4570505	430.951	AWKAGDPGKDWSIG-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129803
Clc1cc(NC(C(=O)Nc2sc3CCCCCc3c2C#N)C)ccc1NC(=O)C	EMOLS-id_16744936,PC-id_24614974,MCULE-8216446043	430.951	AWKAGDPGKDWSIG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129804
Clc1c(NC(=O)CN(CC(=O)Nc2sc3CCCCCc3c2C#N)C)cccc1	PC-id_2698526	430.951	FZYRMWNUVLAMLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129805
CN(Cc1ccc(c2ccc(Cl)cc2)o1)C(=O)CSc1nnc2n1CCCCC2	MCULE-6905897954,ZINC22_9450701,CoCoCo_4054283,PC-id_17395594,EMOLS-id_11885721	430.951	BMSVGDBLPJAGBB-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-129806
c1(c2CCCCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)Cl	ZINC22_2062106,PC-id_1725979,EMOLS-id_2362503,MCULE-5922834908,CoCoCo_1731149	430.971	ONHSEUKGZNYNBQ-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-129807
CCn1cc2c(c1)C(=O)N(CCC2O)CCCN1CCN(CC1)c1ccc(cc1)Cl	PC-id_22738105,SCHEMBL6775027	430.971	GGTBMVRFCQCHHU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129808
CCn1ccc2c1C(O)CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)Cl	PC-id_22737963,SCHEMBL6779551	430.971	ZYROWCDTDXJPEH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129809
Clc1cc(ccc1C(=O)N1CCCCc2c1ccs2)NC(=O)c1ccsc1C	PC-id_141594231	430.971	GBQROAWQAODUEP-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-129810
Clc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)c(C)cn2C)O	PC-id_22737951,SCHEMBL6775705	430.971	DZEOZQLZIPSWEY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129811
Clc1ccc(Cc2n3c(CCCCC3)c(n2)C(=O)NC(C(C)(C)C)C(=O)NC)cc1	PC-id_76680360	430.971	OTNGWWTVMJMWHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129812
Clc1ccc(Cc2n3c(CCCCC3)c(n2)C(=O)N[C@@H](C(C)(C)C)C(=O)NC)cc1	PC-id_58054126,SCHEMBL10090962	430.971	OTNGWWTVMJMWHP-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129813
Clc1ccc(N2CCN(CCCN3CCC(OC)c4c(C3=O)cn(c4)C)CC2)cc1	SCHEMBL6773202,PC-id_22737947	430.971	RKQBBJRFVSVORH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129814
Clc1ccc(N2CCN(CCCN3CCC(OC)c4n(ccc4C3=O)C)CC2)cc1	SCHEMBL6769511,PC-id_22738026	430.971	LPRKGBGZLWETGN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129815
Clc1cc(N2CCN(CCCN3CCC(OC)c4n(ccc4C3=O)C)CC2)ccc1	SCHEMBL6775473,PC-id_22738080	430.971	SKWOSVDQWIQSGR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129816
Clc1sc2c(c1)N(CCCC2)C(=O)c1ccc(cc1C)NC(=O)c1cccs1	PC-id_142627636	430.971	XAPBVGWUWLMZGR-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-129817
Clc1sc2c(c1)N(CCCC2)C(=O)c1ccc(cc1)NC(=O)c1ccsc1C	SCHEMBL6987246,PC-id_69953167	430.971	KXCACNJEOADCEW-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-129818
Clc1sc2c(c1)N(CCCC2)C(=O)c1ccc(cc1)NC(=O)c1sccc1C	PC-id_69954204,SCHEMBL6989949	430.971	AGQXYIYIIDMPPT-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-129819
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3cccc(Cl)c3)CCn12	EMOLS-id_20430575,ChEMBL-DNDi_CHEMBL15952085,PC-id_45165847,MCULE-6559747717	430.974	DICVABDUUDQSQN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129820
C[C@@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2	ZINC22_11976943	430.974	DICVABDUUDQSQN-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129821
C[C@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2	ZINC22_11976950	430.974	DICVABDUUDQSQN-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129822
CN1CCCC(C1)C(=O)NCCc1nnc2CCN(Cc3ccccc3Cl)CCn12	PC-id_45175552,EMOLS-id_20422251,MCULE-3915292747,ChEMBL-DNDi_CHEMBL14725208	430.974	YZLVZRORFDZNKY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129823
CN1CCC[C@@H](C(=O)NCCc2nnc3n2CCN(Cc2ccccc2Cl)CC3)C1	CoCoCo_1161790,CoCoCo_1161788,CoCoCo_1161789,ZINC22_12182957,PC-id_28312476,CoCoCo_1161787	430.974	YZLVZRORFDZNKY-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129824
CN1CCC[C@H](C(=O)NCCc2nnc3n2CCN(Cc2ccccc2Cl)CC3)C1	PC-id_28312478,CoCoCo_1161785,CoCoCo_1161786,ZINC22_12182964,CoCoCo_1161783,CoCoCo_1161784	430.974	YZLVZRORFDZNKY-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129825
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(C1)c1ncccc1Cl	PC-id_109724549	430.977	YHCYFWDZFISHNB-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-129826
CN=C(NC1CCN(C1)c1ncccc1Cl)NCCCc1nnc2n1CCCCC2	PC-id_109723279	430.977	WFCNMSGRQKNNGM-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-129827
Clc1ccc(cc1)CCN1CCC(CC1)C(=N)N1CCOc2c(C1=N)sc(c2)C	PC-id_141859831	430.994	FUZGHHGVTBDIIF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129828
CCNC(=NCC(Cc1cccc(c1)Cl)(C)C)NCCc1nnc2n1CCCCC2	PC-id_109668409	431.017	UMXKGBWVAKZWSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129829
CN=C(NCC(Cc1cccc(c1)Cl)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109668215	431.017	MHSCLDJOQGPLFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129830
CC1(COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)C=C	PC-id_154682016	431.093	REWFNNAKYPKMGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129831
C[C@@]1(COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)C=C	PC-id_154682203	431.093	REWFNNAKYPKMGI-PLKGVSPESA-N	00000000100000110101000000000010000000000000000000000000	31-01-129832
CC(=C)C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F	PC-id_154682131	431.093	SDFFCEQQLZPZKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129833
CCNC1=NC=C(C=C1)C(=O)C2CCCC3=C(C2=O)SC(=N3)NC(=O)CNC(=O)O	PC-id_153903790	431.126	PMIUWUXKYRPXCO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129834
Brc1cnc(c(n1)Br)NC(=O)c1cc2c(s1)CCCCC2	PC-id_108376401	431.146	WYDKRYUNZRTYOJ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-129835
CC(C)(C(=O)N1CCCc2oc(Br)cc2C1)c1ccc(Cl)c(Cl)c1	ZINC22_2325825420	431.151	PIQQEFJJAMWQRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129836
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=C3CCC=CC(=O)C3=C(N2)C	PC-id_155289223	431.151	HZXLLCOBZXROQY-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-129837
CC(C)C[C@H]1CCC2=C(N(C=C2S(=NC)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154991336	431.179	GQJSWCGQZNCENN-GZMMZOGISA-N	00000000100000110101000000000010000000000000000000000000	31-01-129838
Brc1cc(OC2CCN(Cc3sc(cc23)C)C)ccc1Br	SCHEMBL2835662,PC-id_25027580	431.185	AKFPGRXHUAQBGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129839
CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)SC[C@H](C(=O)OC)NC(=O)OC(C)(C)C	PC-id_165177878	431.213	MCLOOUJYIVCIRD-LJQANCHMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-129840
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCCOC(=O)C3=CC=C(C=C3)F	PC-id_155171358	431.222	YFIZWHQQHFWBOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129841
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC(=CC=C3)F	PC-id_155171399	431.222	MVEVMDPQXPUGSL-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129842
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)F	PC-id_155171430	431.222	PJYGHQYLAMZCLU-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129843
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=CC=C3F	PC-id_155171434	431.222	PEQAWCGUHFVJJO-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129844
CCCC(C)OC(=O)CCC(=O)C1C[C@@H]([C@H](C2=C(C(C1)(F)F)N=NN2C)OC)OC	PC-id_155090630	431.223	WDYOKLFGDHULKD-GWIURDQASA-N	00000000100000000101000000000010000000000000000000000000	31-01-129845
N#CCC(=O)c1cc2=CC(=C(CC=c2n1SI)NC(=O)C)F	PC-id_145211757	431.224	UVVXLVRTBOKOKO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-129846
O=C1CCC(=O)Oc2c(O1)c(Cn1ncc(c1)c1cccc(c1)Br)nn2C	PC-id_140810664	431.24	RQYXXXJQBRQDJX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129847
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=C(C=C(C3)OC)C	PC-id_155203846	431.242	LJTJHPAFAUOGEA-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-129848
Ic1cc(F)c(Nc2sc3c(n2)CC(CNC3=O)(C)C)cc1	PC-id_57398525	431.267	RJUNTBXDFOQXLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129849
Brc1cn(nc1)c1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_55764332	431.286	PAZIVQMKWZWBCF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129850
Brc1cc2c(c(oc2cc1)C(=O)NC(c1n2CCCCCc2nn1)CC)C	MCULE-5863872807,PC-id_72138921,EMOLS-id_42884920	431.326	AOJPPEBRPZVGLS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129851
Brc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc(OC)c1OCCC	PC-id_27115445	431.326	PRPYJQQQWWUWGG-XNTDXEJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129852
Brc1cc(C=C(c2n3CCCCCc3nn2)C#N)cc(OC)c1OCCC	PC-id_74519847	431.326	PRPYJQQQWWUWGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129853
CC[C@H](NC(=O)c1oc2ccc(Br)cc2c1C)c1nnc2n1CCCCC2	PC-id_95760996,ZINC22_72271642	431.326	AOJPPEBRPZVGLS-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129854
CC[C@@H](NC(=O)c1oc2ccc(Br)cc2c1C)c1nnc2n1CCCCC2	ZINC22_72271643,PC-id_95760997	431.326	AOJPPEBRPZVGLS-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-129855
Clc1ccc(c(c1)Cl)OCc1n[n+](c2n1CCCCC2)CC(=O)c1ccccc1	CoCoCo_5899877,PC-id_33777545	431.335	RFQVOYCEPFKPCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129856
O=C(NCc1nnc2n1CCCCC2)C1(c2cccc(Br)c2)CCCCC1	MCULE-2003053883,PC-id_139004974,EMOLS-id_320389164,ZINC22_463334289	431.369	MRASUBPIOJYAHD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129857
CN=C(NCC1(CC1)c1cccc(c1)Br)NCc1nnc2n1CCCCC2	PC-id_111572435	431.373	ZMEOHIVQEXEFRT-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-129858
CN=C(NCC1(CC1)c1ccccc1Br)NCc1nnc2n1CCCCC2	PC-id_111649804	431.373	LVFNDMCWKSCDLO-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-129859
FC(C(NCC1OC(=O)N(C1)c1ccc(c(c1)F)Nc1ccc2-c(cc1)ccc2)O)F	PC-id_143555152	431.408	YVSPEHPTRMMGJY-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-129860
C1Cn2c(c(nn2)CNc2ccc(cc2)OC(F)(F)F)CN(C1=O)Cc1ccccc1	PC-id_134806259	431.411	KMOBXVBISUTEOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129861
C[C@@H](C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)O	PC-id_140762621	431.429	CNTNRXYSZOXZAP-CUVJYRNJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129862
C[C@@H]([C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)O	SCHEMBL18353384	431.429	CNTNRXYSZOXZAP-LKFCYVNXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129863
CC(N1CCCn2c(C1=O)cc(c2)S(=O)(=O)Nc1cccc(c1)OC(F)(F)F)C	PC-id_53182970,EMOLS-id_33087860,MCULE-4417975985	431.429	NCRLPJNKTMGOAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129864
O=C(c1n(C)cc2c1CCC(NS2(=O)=O)C(O)(C)C)Nc1cc(F)c(c(c1)F)F	SCHEMBL18353475	431.429	BUCCINJZVKDZFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129865
CC(C)OC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)C(=O)C)C(=O)c1ccc(F)c(F)c1	BindingDB-id_731691,SCHEMBL17777835,PC-id_121358769	431.433	AMWJNTWWGGCYOB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-129866
FC(F)(F)c1ccc(C[NH+]2CCn3c(nnc3CNC(=O)c3ncccc3)CC2)cc1	PC-id_42365152	431.434	MWYJRVKYRRSSIV-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-129867
FC(F)(F)c1c(C[NH+]2CCn3c(nnc3CNC(=O)c3ccncc3)CC2)cccc1	PC-id_42327675	431.434	ZWYYVWWJSLNDIO-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-129868
Cc1noc(C)c1Cn1nc2CCC(CCn2c1=O)C(=O)NCc1ccc(F)cc1F	EMOLS-id_207876743,MCULE-1049380750	431.436	NNIIAUPZBNSNQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129869
COCc1ccc(CN2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)o1	MCULE-1980101073,CoCoCo_1182125,CoCoCo_1182124,EMOLS-id_20436779,ZINC22_19838613,PC-id_28392343,ChEMBL-DNDi_CHEMBL16927277	431.436	UXZWHTMLDSSJMZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129870
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cccc(F)c2F)CC3)o1	ZINC22_20599101,CoCoCo_1258771,PC-id_29085570,EMOLS-id_20491393,ChEMBL-DNDi_CHEMBL26194375,CoCoCo_1258772,MCULE-8788991743	431.436	YNHDYZHPDJGPHW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129871
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cc(F)ccc2F)CC3)o1	PC-id_28310179,MCULE-2892912147,CoCoCo_1148352,CoCoCo_1148351,ZINC22_19741080,EMOLS-id_20412450	431.436	CHRZKOAITADKNI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129872
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cc(F)cc(F)c2)CC3)o1	ZINC22_14992630,CoCoCo_1385809,PC-id_26347727,EMOLS-id_20578263,CoCoCo_1385808,MCULE-4165421040	431.436	WYMVANYVDHNWSS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129873
COCc1ccc(o1)C(=O)NCc1nnc2n1CCN(CC2)Cc1c(F)cccc1F	CoCoCo_1425954,CoCoCo_1425953,PC-id_26316112,ChEMBL-DNDi_CHEMBL52023856	431.436	YHBNEHRJSKWDNF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129874
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(N(C)C)OC=O	SCHEMBL6870458,PC-id_57161502	431.439	LAARMZXHGFQDDH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-129875
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCCC(=O)N	PC-id_88258348,SCHEMBL8165545	431.439	WDJBQEBXZASGHT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-129876
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCC(=O)NC	SCHEMBL8160031,PC-id_23296712	431.439	VJIXLRVGSFZSJZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-129877
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOC(=O)N(C)C	SCHEMBL6870453,PC-id_23296726	431.439	FWNUPXBHIFDFBW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-129878
COC1=CN=C(c2c(C1)c(c[nH]2)C(=O)C(=O)N1CCN(CC1)C(=O)c1ccccc1)C#N	PC-id_142081946	431.444	ARXLVJMPBNNNOZ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-129879
N#CC(=C(c1c(=O)oc2-c1cc(ccc2)C(C)C)C(=C(C#N)C#N)c1ccc(cc1)N)C#N	PC-id_101789615	431.445	BTFCQOCIIAFQOF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-129880
C1Cn2c(cc(n2)Cn2cccn2)NC(=O)C1NC(=O)c1nn(cn1)Cc1ccccc1	SCHEMBL18372999,PC-id_137052847	431.451	JYIKZUWJKWINPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129881
C1Cn2c(cc(n2)Cn2ccnc2)NC(=O)[C@H]1NC(=O)c1nn(cn1)Cc1ccccc1	SCHEMBL18372977,PC-id_137052845	431.451	AJLIHQNVKLNGKK-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129882
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1)Cc1cc(ccc1)C	PC-id_19523751	431.454	UKNAIQWFQAWBIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129883
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1)Cc1c(cccc1)C	PC-id_19527320	431.454	ODSBMBSPGMFQRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129884
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1nn(Cc2cc(ccc2)C)cc1	PC-id_19523753	431.454	SPNDRRKIHMWIEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129885
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1nn(Cc2c(cccc2)C)cc1	PC-id_19527298	431.454	RMQDURKUCRZAAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129886
O=C(c1n(C)cc2c1OC[C@H](NS2=O)Cc1ccccc1)Nc1ccc(c(c1)F)F	PC-id_139471305,SCHEMBL21337304	431.456	YKTQRJLFDNSGPF-BBUZXQMBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129887
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc2OCOc2cc1)C(=O)OC	PC-id_2680693	431.459	BNUPYCHIRXKEIF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-129888
COCCNC(=O)CCNC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	EMOLS-id_44609890,PC-id_46159949,MCULE-9236289639	431.461	GHZWXBURHHOYNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129889
COCCNC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-9243400886,PC-id_46049814,EMOLS-id_25388490	431.461	UMRCACADBUAMMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129890
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCCOC)C)cc1	PC-id_46049798	431.461	IMKWEOAJTUVCEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129891
Cn1ccc2cc(ccc12)C(=O)N1CCCn2ncc(C(=O)Nc3cccc(F)c3)c2C1	EMOLS-id_313764809,ZINC22_1565556260	431.462	AFYKFVTUJKIUDI-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-129892
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OCC	PC-id_46656955	431.462	KKBUYXZHJRJRNI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129893
OC(=O)N(c1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)N(C)C)C	PC-id_144077526	431.466	GLCOOOXUCKLSOK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-129894
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cn1nc(c([N+](=O)[O-])c1C)C)C#N	PC-id_29505416	431.466	WDHJBLMECHXQOT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129895
CC1CN(CCc2c1nn(c2OS(=O)(=O)C(F)(F)F)C(C)C)Cc1ccccc1	PC-id_87332198,SCHEMBL2075389	431.472	DFIWDGBSFGFXNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129896
CO[C@H]1CC(CC(c2c([C@@H]1OC)n(nn2)C(C)C)(F)F)C(=O)CCC(=O)OC(C)C	PC-id_141666515	431.474	ISLKXAIPWHMWTI-MSFQCOKLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-129897
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3c(F)ccc(F)c3F)CCn12	EMOLS-id_232746434,MCULE-3605258817,PC-id_45166800	431.476	MHWUHWMWIMORME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129898
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(F)c(F)c1	PC-id_121358889,BindingDB-id_731719,SCHEMBL17777963	431.476	BKPGRXLBDKBCDO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-129899
CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OCC)C(=O)c1ccc(F)c(F)c1	BindingDB-id_731720,PC-id_121358859,SCHEMBL17777928	431.476	KFCOSHRVBXRXNW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-129900
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1c(F)ccc(F)c1F)CC2	ZINC22_23367057	431.476	MHWUHWMWIMORME-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129901
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1c(F)ccc(F)c1F)CC2	ZINC22_23367061	431.476	MHWUHWMWIMORME-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129902
CCOC(=O)C1=CN(CC(c2c1nn(c2)C(C)(C)C)(C)C)C(=O)c1ccc(c(c1)F)F	PC-id_121358858,SCHEMBL17777927	431.476	KQSLLSNQPBPAHY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-129903
c1(C(C(C)C)NC(=O)CC)nnc2CCN(C(=O)C=Cc3ccc(cc3F)F)CCn12	MCULE-4581694996,PC-id_74801482	431.479	WGZKLMVJNMBSNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129904
CCC(=O)NC(C(C)C)c1nnc2CCN(CCn12)C(=O)/C=C/c1ccc(F)cc1F	EMOLS-id_26001841,PC-id_45199789	431.479	WGZKLMVJNMBSNQ-SOFGYWHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129905
CCC(=O)N[C@@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1ccc(cc1F)F)C(C)C	CoCoCo_1311494	431.479	WGZKLMVJNMBSNQ-RFFSMVSESA-N	00000000100000110101000000000010000000000000000000000000	31-01-129906
CCC(=O)N[C@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1ccc(cc1F)F)C(C)C	CoCoCo_1311495	431.479	WGZKLMVJNMBSNQ-LHFJYWTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129907
CCC(=O)N[C@H](c1nnc2n1CCN(C(=O)/C=C/c1ccc(F)cc1F)CC2)C(C)C	PC-id_42417589,ZINC22_12122444,CoCoCo_1311496	431.479	WGZKLMVJNMBSNQ-PVHVJQTOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129908
CCC(=O)N[C@@H](c1nnc2n1CCN(C(=O)/C=C/c1ccc(F)cc1F)CC2)C(C)C	ZINC22_12122454,CoCoCo_1311493,PC-id_42417591	431.479	WGZKLMVJNMBSNQ-HSTAZWAASA-N	00000000100000110101000000000010000000000000000000000000	31-01-129909
OC(=O)[C@H]1[C@@H](CCCc2ccc3-c2ccccc3)C(=O)N1C(C(=O)O)Cc1ccccc1	PC-id_140404174	431.48	XHCAMJALLRKQOS-OJVMETQDSA-N	00001010100000110110000000000010000000000000000000000000	31-01-129910
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(F)cc1)C(=O)OCC	PC-id_19658895	431.48	IEODFISDHUGWSK-FSJBWODESA-N	00000000100000110100000000000010000000000000000000000000	31-01-129911
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(F)cc1)C(=O)OCC	PC-id_73633393	431.48	IEODFISDHUGWSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129912
s1c2c(CCCCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)Nc1ccc(OC)cc1	PC-id_27526991	431.482	LVPGLILJTJIISA-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-129913
s1c2c(CCCCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)Nc1cc(OC)ccc1	PC-id_27526988	431.482	PJKVHDLHEAPIMF-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-129914
s1c2c(CCCCC2)c(c1NC(=O)COCC(=O)[O-])C(=O)Nc1c(OC)cccc1	PC-id_27526982	431.482	RJTWVHGQVDHWLN-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-129915
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(OC)cc1	PC-id_55654525	431.485	VJWSGMGVZORBDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129916
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(OC)c(OCC(=O)NCC)cc1	PC-id_55745889	431.485	HMQNQMBGUVQKEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129917
O=C(c1ccccc1)C[P+](c1cc2-c(c1)ccccc2)(c1ccccc1)c1ccccc1	PC-id_139734753	431.485	IOVQLYDIYPLGCR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-129918
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1)C)c2)CC(=O)N(C)c1ccccc1	EMOLS-id_49751101,PC-id_91906889,SPECS-id_AT-687/PE30345,MCULE-4711265588,ZINC22_169780196	431.487	NBDWGBLUTHFWOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129919
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1)c2)CC(=O)N(C)c1ccccc1	PC-id_91906892,MCULE-9342373555,SPECS-id_AT-687/PE30348,EMOLS-id_49751107,ZINC22_169759625	431.487	TVWBTRWWVOMAKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129920
C=CCOc1cccc(c1)C(=O)N1CCc2n(CC1)c(nn2)CNC(=O)c1ccccc1	PC-id_42407238,CoCoCo_1149529	431.487	RFNJMOZWACIVOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129921
COCCN1CCNc2c(C1=O)n(c(n2)COc1cccc(c1)C#N)Cc1ccccc1	PC-id_134805608	431.487	NTPPLBBILKLFMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129922
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(C(=O)N2CCc3c2cccc3)cc1	PC-id_56244108	431.487	IZVDDNUPCOURLB-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-129923
O=c1n2CCCCCc2nn1CC(=O)Nc1c(COc2ccc(cc2)CC#N)cccc1	PC-id_55899221	431.487	SYLAKILLDOAGRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129924
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)Nc1ccccc1)Cc1ccccc1	PC-id_42855051	431.487	KZTZAGMGLIXFNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129925
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)Nc1ccccc1)C)Cc1ccccc1	PC-id_46049850	431.487	GUOOMBHDRRGLOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129926
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCc1ccccc1)Cc1ccccc1	MCULE-7271065498,PC-id_46049875,EMOLS-id_25387702	431.487	STCACLQMVJNQDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129927
CCCCCCCCCCCCCCCCc1ccc2-c(cc1)cc(c2)Br	PC-id_102049237	431.492	CXBNIDLRICSPCE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-129928
O=C1N(CCCCc2c3-c(c([14cH]2)C(=O)OC)ccc(C(C)C)cc3)C(=O)c2c1cccc2	PC-id_10455442	431.5	ZEJQVFQJSVSWTA-VPMSBSONSA-N	00000010100000100110000000001010000000000000000000000000	31-01-129929
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccc(C)s3)CCn12	EMOLS-id_20471863,PC-id_45187088,MCULE-5854036347	431.502	LESRLQHBCTUQIP-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-129930
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3sccc3C)CCn12	MCULE-6339683419,ChEMBL-DNDi_CHEMBL11468118,EMOLS-id_20398816,PC-id_45170151	431.502	AQTBCYOBSYJUNM-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-129931
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)s1	CoCoCo_1231112,CoCoCo_1231111,ZINC22_20450835,PC-id_28954535	431.502	LESRLQHBCTUQIP-CQSZACIVSA-N	00000000100100110101000000000010000000000000000000000000	31-01-129932
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)s1	CoCoCo_1231113,CoCoCo_1231114,PC-id_28954537,ZINC22_20450837	431.502	LESRLQHBCTUQIP-AWEZNQCLSA-N	00000000100100110101000000000010000000000000000000000000	31-01-129933
Cc1ccsc1CN1CCc2nnc([C@@H](C)NC(=O)c3cc(F)ccc3F)n2CC1	PC-id_30852882,CoCoCo_1130182,ZINC22_23129317,CoCoCo_1130183	431.502	AQTBCYOBSYJUNM-CQSZACIVSA-N	00000000100100110101000000000010000000000000000000000000	31-01-129934
Cc1ccsc1CN1CCc2nnc([C@H](C)NC(=O)c3cc(F)ccc3F)n2CC1	ZINC22_23129318,CoCoCo_1130184,PC-id_30852883,CoCoCo_1130185	431.502	AQTBCYOBSYJUNM-AWEZNQCLSA-N	00000000100100110101000000000010000000000000000000000000	31-01-129935
COCCn1nc2CCC(CC(=O)N3CCN(CC3)c3ccccc3F)CCn2c1=O	MCULE-6865789240,EMOLS-id_239609067	431.504	WHLZSKLXELIOQZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129936
Fc1cccc(Cn2nc3CCCCC(C(=O)NCCCN4CCOCC4)n3c2=O)c1	EMOLS-id_207869749,MCULE-2711832062	431.504	QMYHWAJUHLWXEA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129937
Fc1cc(CN2CCC(NC(=O)Cn3nc4n(CCCCC4)c3=O)CC2)ccc1OC	PC-id_55957623	431.504	CQIMWCAIRMQCEU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-129938
Fc1c(N2CC(OC(C2)C)C)ccc(c1)CNC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55876424	431.504	LUISWDNTGDUTQB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129939
COC(=O)CCC(=O)N1CCc2nc(C(=O)NCc3cccc(OC)c3)sc2CC1	ZINC22_96146949,PC-id_97442473,EMOLS-id_44303866	431.505	IIZVNLWYGGZTIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129940
COC(=O)CCC(=O)N1CCc2nc(C(=O)NCc3ccc(OC)cc3)sc2CC1	ZINC22_96146958,PC-id_97442482	431.505	QWXMZIHUMNAJKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129941
N1(Cc2ccccc2)C(=O)c2c(cc(cc2)C(=O)Nc2sc3c(CCCCC3)n2)C1=O	MCULE-9070203077,EMOLS-id_323428193	431.507	LAOJIUJMJNIIMB-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-129942
S1(=O)(=O)N(C(C)C)C(=O)c2c1cc(cc2)C(=O)NCCc1n2CCCCCc2nn1	PC-id_52673262	431.509	HJCDRTZQQBRIRK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-129943
CN(C1=c2cc[nH]c2=NC=CCC1)[C@@H]1CC(C1)CCS(=O)(=O)c1ccc(c(c1)O)F	SCHEMBL20614292	431.524	UYLRMISBFJHTRG-CXIWYSOXSA-N	00001000100000110110000000000010000000000000000000000000	31-01-129944
CN(C1CC(C1)CCS(=O)(=O)c1cc(c(cc1)F)O)C1=c2cc[nH]c2=NC=CCC1	PC-id_137384040	431.524	UYLRMISBFJHTRG-UHFFFAOYSA-N	00001000100000110110000000000010000000000000000000000000	31-01-129945
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C	PC-id_24554073	431.524	GJRPZZWBZBDYGS-IBGZPJMESA-N	00000000100000110100000000000010000000000000000000000000	31-01-129946
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C	PC-id_74295183	431.524	GJRPZZWBZBDYGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129947
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCCNC(=O)c1ccc(F)cc1	PC-id_56023778	431.524	QKKCZCKIXBKFTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129948
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(C1)c1ccc(cc1F)F	PC-id_111921059	431.525	SDVBDSZAMXTMMM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129949
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(C1)c1c(F)cccc1F	PC-id_109613292	431.525	SYXPYSJJQBVTMK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129950
CN=C(N1CCN(CC1)c1cc(F)ccc1F)NCCCc1nnc2n1CCCCC2	PC-id_109450779	431.525	MRJRVCKHRQUMAR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-129951
CN=C(NC1CCN(C1)c1c(F)cccc1F)NCCCc1nnc2n1CCCCC2	PC-id_109613694	431.525	QGBXRVSVKRVKRX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-129952
COC(=O)c1cc2c([nH]1)[C@H](N[C@H](C(=O)N2Cc1ccccc1)Cc1ccccc1)C(C)C	PC-id_102395628	431.527	YGOQQBWCAFIXNV-NZQKXSOJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129953
Fc1cnc(nc1)N1CCN(CC1)CCCCN1C(=O)CCc2c(C1=O)cc(s2)C	PC-id_19881081,SCHEMBL9039367	431.527	XWVURACDRWFMIC-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-129954
C#CCNS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_33317388,CoCoCo_4452245,MCULE-1273192309,EMOLS-id_25649941	431.528	IHMXIBVNGILRPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129955
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(S(=O)(=O)NCc2ccco2)cc1	MCULE-8116739746,PC-id_24611824,EMOLS-id_19945671,CoCoCo_4564232,ZINC22_12829550	431.528	ZMVNCSQKUDGOBI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-129956
s1c2CCCCCc2cc1C(=O)NNC(=O)CS(=O)(=O)Cc1ccc(cc1)C#N	PC-id_55789406	431.528	USKZEVZUAITIJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-129957
s1c2c(CCCCC2)c(c1NC(=O)CCc1oc(nn1)c1ccsc1)C(=O)OC	PC-id_52638577	431.528	UFLQPMMDHOWLRE-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-129958
s1c2c(CCCCC2)c(c1NC(=O)CCc1onc(n1)c1ccsc1)C(=O)OC	PC-id_52598446	431.528	GKVPVYSGXLSKSW-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-129959
s1c2c(CCCCC2)c(c1NC(=O)CCc1onc(n1)c1sccc1)C(=O)OC	PC-id_52598442	431.528	WGCWGFOTQHLQND-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-129960
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNC(=O)c1sc(cc1)C)C#N	PC-id_4211210	431.528	IBHWKANBJLHKHY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-129961
s1c2CCCCCCc2cc1C(=O)OCCCN1C(=O)C2[N+](=CN=C2N(C1=O)C)C	PC-id_74262409	431.528	ZIZFNDZRDQGSPV-UHFFFAOYSA-N	00000011100010000101000000000110000000000000000000000000	31-01-129962
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(cc3OC)OC)CCn12	EMOLS-id_20414042,PC-id_45173701,MCULE-1886177810,ChEMBL-DNDi_CHEMBL13536801	431.529	WPYBJPOLGSNCDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129963
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3cc(OC)ccc3OC)CCn12	ChEMBL-DNDi_CHEMBL23452430,EMOLS-id_20476653,PC-id_45188156,MCULE-7392063399	431.529	JUKAJYSDMQBOQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129964
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3cc(OC)cc(OC)c3)CCn12	PC-id_45186084,MCULE-2016159139,EMOLS-id_20467543	431.529	CPMMRMYVFCAMBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129965
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3c(OC)cc(cc3OC)OC)CCn12	MCULE-3872732733,PC-id_45205038,EMOLS-id_20550615	431.529	XBCKVYHFAOFRIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129966
CCOc1cc(CN2CCc3nnc(C(C)NC(=O)CCOC)n3CC2)ccc1OC	EMOLS-id_20393202,PC-id_45168852,MCULE-5631815358	431.529	VBBFJSDCANRPDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129967
CCOc1cc(CN2CCc3nnc([C@@H](C)NC(=O)CCOC)n3CC2)ccc1OC	CoCoCo_1122692,CoCoCo_1122693,PC-id_30852242,ZINC22_23128838	431.529	VBBFJSDCANRPDZ-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129968
CCOc1cc(CN2CCc3nnc([C@H](C)NC(=O)CCOC)n3CC2)ccc1OC	CoCoCo_1122695,PC-id_30852243,ZINC22_23128839,CoCoCo_1122694	431.529	VBBFJSDCANRPDZ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129969
COc1cc(CN2CCc3n(CC2)c(nn3)[C@H](NC(=O)C)CC(C)C)cc(c1O)OC	PC-id_42328588,CoCoCo_1252669,CoCoCo_1252670	431.529	ATEXUYJCPDJNPA-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129970
COc1cc(CN2CCc3n(CC2)c(nn3)[C@@H](NC(=O)C)CC(C)C)cc(c1O)OC	PC-id_42328592,CoCoCo_1252671,CoCoCo_1252672	431.529	ATEXUYJCPDJNPA-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129971
COc1cc(OC)c(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(OC)c1	PC-id_42481441,CoCoCo_1344520,CoCoCo_1344521,ZINC22_12244118	431.529	XBCKVYHFAOFRIO-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129972
COc1cc(OC)c(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c(OC)c1	PC-id_42481443,CoCoCo_1344523,CoCoCo_1344522,ZINC22_12244119	431.529	XBCKVYHFAOFRIO-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129973
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(OC)c(C)c3OC)CCn12	EMOLS-id_20516469,ChEMBL-DNDi_CHEMBL31180094,PC-id_45197231,MCULE-9850879248	431.529	MXMDVRTZFCHVTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129974
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(OC)c(C)c1OC)CC2	CoCoCo_1295039,PC-id_29152029,CoCoCo_1295040,ZINC22_20780744	431.529	MXMDVRTZFCHVTK-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129975
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(OC)c(C)c1OC)CC2	ZINC22_20780741,PC-id_29152028,CoCoCo_1295041,CoCoCo_1295042	431.529	MXMDVRTZFCHVTK-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129976
COCC(=O)NC(c1nnc2n1CCN(CC2)Cc1cc(OC)ccc1O)CC(C)C	ChEMBL-DNDi_CHEMBL20551379	431.529	CVAZQZDEQRXLAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129977
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(OC)cc1OC)CC2)C(C)C	CoCoCo_1150557,ZINC22_12099952,CoCoCo_1150556	431.529	WPYBJPOLGSNCDQ-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129978
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(OC)cc1OC)CC2)C(C)C	ZINC22_12099953,CoCoCo_1150555,CoCoCo_1150554	431.529	WPYBJPOLGSNCDQ-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129979
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1cc(OC)ccc1OC)CC2)C(C)C	CoCoCo_1237868,CoCoCo_1237867,ZINC22_11869055,PC-id_42236648	431.529	JUKAJYSDMQBOQM-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129980
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cc(OC)ccc1OC)CC2)C(C)C	ZINC22_11869056,CoCoCo_1237866,CoCoCo_1237865,PC-id_42236650	431.529	JUKAJYSDMQBOQM-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129981
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cc(OC)cc(OC)c1)CC2)C(C)C	CoCoCo_1224815,ZINC22_11783966,CoCoCo_1224816	431.529	CPMMRMYVFCAMBV-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129982
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1cc(OC)cc(OC)c1)CC2)C(C)C	CoCoCo_1224818,ZINC22_11783965,CoCoCo_1224817	431.529	CPMMRMYVFCAMBV-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129983
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(OCCN(CC)CC)c(OC)cc1	PC-id_56262958	431.529	PBFNALLSSSXPEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129984
O=C(NC(c1n2CCN(CCc2nn1)Cc1cc(OC)c(O)c(OC)c1)CC(C)C)C	PC-id_45190548	431.529	ATEXUYJCPDJNPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129985
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)N(C)C)c2)Cc1ccc(cc1)C	EMOLS-id_16324682,MCULE-5417970476,CoCoCo_2544558,PC-id_16028400	431.53	RWLMZHOGVZAPOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129986
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)N(C)C)c2)Cc1cccc(C)c1	EMOLS-id_32633238,MCULE-2224678865,PC-id_53034590	431.53	CXTDKEZAPWKQBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129987
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3cccc(c3)Oc3ccccc3)CCn12	PC-id_45169415,ChEMBL-DNDi_CHEMBL11056839,EMOLS-id_20395718,MCULE-4187271037	431.53	QHFDSGIEBYSPAJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-129988
C/C(=Cc1ccccc1)/CN1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1	EMOLS-id_44851873,CoCoCo_1231235,ZINC22_11814433,CoCoCo_1231237,PC-id_42190953	431.53	ZEHRIOHCZKWTSO-CAPFRKAQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129989
CC[C@H](C(=O)NCc1nnc2n1CCN(CC2)C(=O)c1ccc(cc1)c1ccccc1)C	CoCoCo_1597195	431.53	TYYKJSYYPYWTOR-GOSISDBHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129990
CC[C@@H](C(=O)NCc1nnc2n1CCN(CC2)C(=O)c1ccc(cc1)c1ccccc1)C	CoCoCo_1597196	431.53	TYYKJSYYPYWTOR-SFHVURJKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-129991
C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2	CoCoCo_1126070,PC-id_42247552,CoCoCo_1126071,ZINC22_11881588	431.53	QHFDSGIEBYSPAJ-GOSISDBHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-129992
C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2	CoCoCo_1126072,CoCoCo_1126073,PC-id_42247554,ZINC22_11881589	431.53	QHFDSGIEBYSPAJ-SFHVURJKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-129993
COc1ccccc1/C=CCN1CCc2n(CC1)c(nn2)CNC(=O)Cc1ccccc1	CoCoCo_1278577,CoCoCo_1278579	431.53	WGWIJXFYTCHYLD-XFFZJAGNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129994
COc1ccccc1/C=C/CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1	EMOLS-id_44852181,CoCoCo_1278578,CoCoCo_1278580,ZINC22_11908909,PC-id_42272686	431.53	WGWIJXFYTCHYLD-YRNVUSSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129995
COc1cccc(c1)NCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CC1CC1	PC-id_134809016	431.53	WVZJRJBNSBCQQA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-129996
n12CCN(CCc1nnc2CCNC(=O)COc1ccccc1)CC=Cc1ccccc1	MCULE-9032624877,PC-id_74781825	431.53	VEISISKXBNQIDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129997
n12CCN(CCc1nnc2CNC(=O)Cc1ccccc1)CC=Cc1ccccc1OC	MCULE-6308056097,PC-id_74786786	431.53	WGWIJXFYTCHYLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129998
n12CCN(CCc1nnc2CNC(=O)COc1ccccc1)CC(=Cc1ccccc1)C	PC-id_74777652,MCULE-5907343805	431.53	ZEHRIOHCZKWTSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-129999
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(CN2CCc3c2cccc3)cc1	PC-id_55655853	431.53	LAUFNWIMGVWFLW-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-130000
O=C(COc1ccccc1)NCCc1nnc2CCN(C/C=C/c3ccccc3)CCn12	CoCoCo_1120657,PC-id_42213461,CoCoCo_1120655,EMOLS-id_44851125,ZINC22_11841529	431.53	VEISISKXBNQIDG-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130001
O=C(COc1ccccc1)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccccc1	CoCoCo_1120654,CoCoCo_1120656	431.53	VEISISKXBNQIDG-YFHOEESVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130002
O=C(N1CCn2c(nnc2CNC(=O)C(CC)C)CC1)c1ccc(cc1)c1ccccc1	PC-id_45244819	431.53	TYYKJSYYPYWTOR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130003
O=C(NCc1nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12)C1CCOC1	MCULE-8460515521,ChEMBL-DNDi_CHEMBL11114773,PC-id_45169513,EMOLS-id_20396150	431.53	NHHBVLYHMUBVMY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-130004
O=C(NCc1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2)[C@@H]1CCOC1	PC-id_30852561,ZINC22_23129082,CoCoCo_1126633,CoCoCo_1126631	431.53	NHHBVLYHMUBVMY-JOCHJYFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-130005
O=C(NCc1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2)[C@H]1CCOC1	PC-id_30852562,CoCoCo_1126632,CoCoCo_1126630,ZINC22_23129083	431.53	NHHBVLYHMUBVMY-QFIPXVFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-130006
O=C(NCc1nnc2n1CCN(CC2)C/C(=Cc1ccccc1)/C)COc1ccccc1	CoCoCo_1231236,CoCoCo_1231234	431.53	ZEHRIOHCZKWTSO-SILNSSARSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130007
O=C(NCCc1n2CCCCCc2nn1)CC(NC(=O)c1ccccc1)c1ccccc1	PC-id_55535657	431.53	RGEMWBIASGONAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130008
c1(NC(=O)CSc2ncc(c(N)n2)C(=O)OCC)sc2c(CCCCC2)c1C#N	PC-id_20913490,MCULE-8904604816,EMOLS-id_16211333,CoCoCo_2374371	431.532	XOHCDRGFGYEICM-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-130009
c1(NC(=O)CSc2ncnc3[nH]cnc23)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_32800382,MCULE-3938961257,PC-id_50755021	431.532	RSHSBJOQVLVCSI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-130010
Cc1ccc(cc1)S(=O)(=O)N1CC(CNC(=O)c2cscn2)Cn2nccc2C1	EMOLS-id_313814308	431.532	XZKJKBMLJJMANM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130011
Cc1ccc(S(=O)(=O)N2Cc3ccnn3C[C@@H](CNC(=O)c3cscn3)C2)cc1	ZINC22_585098986	431.532	XZKJKBMLJJMANM-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130012
Cc1ccc(S(=O)(=O)N2Cc3ccnn3C[C@H](CNC(=O)c3cscn3)C2)cc1	ZINC22_585098987	431.532	XZKJKBMLJJMANM-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130013
Cn1cnc(c1)S(=O)(=O)N1CCc2nc(sc2CC1)C(=O)NCc1ccccc1	EMOLS-id_313790522,ZINC22_1258995740	431.532	YGDCRYGRGXZAKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130014
COC(=O)c1c2CCCCCc2sc1NC(=O)C(C)Sc1ncnc2[nH]cnc12	MCULE-6838151817,EMOLS-id_50245351,PC-id_23102019	431.532	SCEKWGDRCLLZDZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-130015
COC(=O)c1c(NC(=O)[C@@H](C)Sc2ncnc3nc[nH]c23)sc2c1CCCCC2	PC-id_92450712,ZINC22_13572722	431.532	SCEKWGDRCLLZDZ-SNVBAGLBSA-N	00000000100000100101000001000010000000000000000000000000	31-01-130016
COC(=O)c1c(NC(=O)[C@H](C)Sc2ncnc3nc[nH]c23)sc2c1CCCCC2	PC-id_92450713,ZINC22_13572726	431.532	SCEKWGDRCLLZDZ-JTQLQIEISA-N	00000000100000100101000001000010000000000000000000000000	31-01-130017
n12CCCCCc1nnc2/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)/C#N	CoCoCo_3456390,PC-id_5893672	431.532	HRZCPPAKVLTRQW-BSYVCWPDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130018
n12CCCCCc1nnc2C(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C#N	MCULE-7882182306,EMOLS-id_43879280,PC-id_3681258	431.532	HRZCPPAKVLTRQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130019
N#C/C(=C/c1ccc(cc1)N(c1ccccc1)c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3456391	431.532	HRZCPPAKVLTRQW-ATJXCDBQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130020
S(=O)(=O)(Nc1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1)c1sccc1	PC-id_24622724	431.532	ZZKXVWLTIXXEEV-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-130021
Fc1ccc(c(c1)F)CC1(O)CC2CCC(C1)N2C(=O)c1cc2c(s1)CCCCC2	MCULE-9307055853,EMOLS-id_45694425,PC-id_71907199	431.538	RXEQAVVTHXARCF-UHFFFAOYSA-N	00000010100010110100000000000110000000000000000000000000	31-01-130022
O=C(c1cc2c(s1)CCCCC2)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2	PC-id_98246160,ZINC22_101825241	431.538	RXEQAVVTHXARCF-OALUTQOASA-N	00000010100010110100000000000110000000000000000000000000	31-01-130023
c1(NC(=O)C2C(C(=O)O)C3CC2C=C3)sc2c(CCCCCCC2)c1C(=O)OCC	EMOLS-id_4116815,PC-id_5012362,MCULE-1313862642,TIMTEC542326	431.545	XCVAABAQVYBWMI-UHFFFAOYSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130024
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)OCCC	EMOLS-id_2442469,PC-id_2931936,TIMTEC193214,MCULE-4475046670,ZINC22_8456223,CoCoCo_900486	431.545	HJLRRLHSJOTAAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130025
c1(NC(=O)Cc2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC476103,MCULE-1771987686,PC-id_1740930,ZINC22_2081623,CoCoCo_684752,EMOLS-id_2096639,SPECS-id_AK-968/11986294	431.545	UGRZDTOCCJRBGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130026
c1(NC(=O)Cc2ccc(c(OCC)c2)OCC)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_1966232,ZINC22_2192738,PC-id_1827132,EMOLS-id_6783397,TIMTEC430913,MCULE-1197590464	431.545	ROPFKOKQGBJXJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130027
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCC2	CoCoCo_5811492,PC-id_51389572,ZINC22_2765054	431.545	XCVAABAQVYBWMI-BODMPHMZSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130028
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCC2	CoCoCo_5811493,PC-id_51705326,ZINC22_35861223	431.545	XCVAABAQVYBWMI-NONVJHHQSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130029
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCC2	ZINC22_239433033	431.545	XCVAABAQVYBWMI-DFEHZGFQSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130030
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCC2	ZINC22_239433034	431.545	XCVAABAQVYBWMI-LBTBCDHLSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130031
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCC2	CoCoCo_5811494	431.545	XCVAABAQVYBWMI-LTCOOKNTSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130032
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCCC2	CoCoCo_5811495,PC-id_27526945	431.545	XCVAABAQVYBWMI-JFTQMJAMSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130033
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCC2	CoCoCo_5811496	431.545	XCVAABAQVYBWMI-MJSCVDMRSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130034
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCC2	CoCoCo_5811497	431.545	XCVAABAQVYBWMI-IDCJVQTKSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130035
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCCC2	CoCoCo_5811498,PC-id_27526947	431.545	XCVAABAQVYBWMI-DACLVMHWSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130036
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCC2	CoCoCo_5811499	431.545	XCVAABAQVYBWMI-IHETXDGRSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130037
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCCC2	ZINC22_102258571,PC-id_98294156	431.545	XCVAABAQVYBWMI-ZZCKCESHSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130038
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCCCC2	ZINC22_102258576,PC-id_98294158	431.545	XCVAABAQVYBWMI-USJZOSNVSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130039
s1c2c(CCCCC2)c(c1NC(=O)Cc1cc(OC)c(OC)cc1)C(=O)OC(C)C	PC-id_3258749	431.545	ORXZFBMHFZEJHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130040
s1c(NC(=O)C2C3CC(C2C(=O)O)C=C3)c(c2c1CCCCCC2)C(=O)OCCC	PC-id_58723452	431.545	RUIYZLQPBQLUCD-UHFFFAOYSA-N	00000011100000000100000000000110000000000000000000000000	31-01-130041
c1(NC(=O)CCC(=O)Nc2ccc(c(OCC)c2)OCC)sc2c(CCCCC2)n1	MCULE-3754059329,EMOLS-id_335081173	431.548	MRBFQTUKNITNCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130042
c1(NC(=O)CCC(=O)NCCc2ccc(c(OC)c2)OC)sc2c(CCCCC2)n1	EMOLS-id_335069656,MCULE-3496544542	431.548	PCEFFCHQOYRNPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130043
c1(NC(=O)CCC(=O)NC(C)c2ccc(c(OC)c2)OC)sc2c(CCCCC2)n1	MCULE-1847291267,EMOLS-id_335026411	431.548	LRMIECTURMGUEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130044
COc1cc(OC)cc(c1)C(=O)NC(C(=O)Nc1nc2c(s1)CCCCC2)C(C)C	PC-id_45864704,EMOLS-id_29659709,MCULE-4771462565	431.548	QMDLEXLAURFJQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130045
COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc3c(s2)CCCCC3)C(C)C)c1	ZINC22_12828348,PC-id_25540961,CoCoCo_4546110	431.548	QMDLEXLAURFJQG-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-130046
COc1cc(OC)cc(C(=O)N[C@@H](C(=O)Nc2nc3c(s2)CCCCC3)C(C)C)c1	ZINC22_12828349,PC-id_25540962,CoCoCo_4546111	431.548	QMDLEXLAURFJQG-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130047
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1occc1)C(=O)OC	PC-id_22195994	431.548	LYXQNPIRDNFLRQ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-130048
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCN1C(=O)C2C(CCCC2)C1=O	PC-id_24409823	431.548	IXDQHEDBHDBNBP-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130049
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)O)C(=O)OCC	PC-id_20413608	432.556	LEJCZWAWHLHTOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130468
s1c2CCCCCCc2nc1NC(=O)c1cc(OC)c(OCC(=O)NC(C)C)cc1	PC-id_56021853	431.548	KKGIGXRSHQTBHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130050
c1(NC(=O)Cn2ccc3ccc(OCc4ccccc4)cc23)sc2c(CCCCC2)n1	EMOLS-id_323306065,MCULE-9501303644	431.55	ZFTXBPLVPYMYGI-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-130051
c1(NC(=O)Cn2ccc3cc(OCc4ccccc4)ccc23)sc2c(CCCCC2)n1	MCULE-8403065936,EMOLS-id_323312474	431.55	FDNVSGWZILOTDM-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-130052
c1(NC(=O)COc2cccc3c2ccn3Cc2ccccc2)sc2c(CCCCC2)n1	MCULE-5987877295,EMOLS-id_323396331	431.55	GCTDRSLYOCVMQQ-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-130053
N1(Cc2c(cccc2)C1=O)C(Cc1ccccc1)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-4485681274	431.55	YITOAMZXWVEJFB-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-130054
Cc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1S(=O)(=O)C	PC-id_45909535,EMOLS-id_30259151,ZINC22_40145176,MCULE-9667376268	431.552	XRTKLZFIVHXLLZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130055
Cc1c(c(=O)[nH]c(n1)N1CCOCC1)CCC(=O)Nc1nc2c(s1)CCCCCC2	PC-id_136045753	431.552	YMYPUEJZYPHNBF-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-130056
CC(C(c1nnc2n1CCN(CC2)C(=O)c1ccc(s1)C)NC(=O)C1COCC1)C	ChEMBL-DNDi_CHEMBL24578225	431.552	JCSPSXFTSSIYPL-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-130057
CCN1CCN(CC1)Cc1ccc(cc1)NS(=O)(=O)c1cn2c(c1)C(=O)NCCC2	EMOLS-id_33086658,PC-id_53182854,MCULE-2491942959	431.552	QIGXXLICSNLFCL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130058
CN(C1CCS(=O)(=O)C1)CCC(=O)N1CCn2c(CC1)nnc2Cc1ccccc1	ChEMBL-DNDi_CHEMBL24061374	431.552	OTFGMSRBOAFJEX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-130059
O=C(c1cccc(c1)S(=O)(=O)N1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_86884605	431.552	DJNBNIMDNDAXGR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-130060
s1c2CCCCCCc2nc1NC(=O)CCC1C(=NC(=NC1=O)N1CCOCC1)C	PC-id_76294582	431.552	OZURECQFSWJVMA-UHFFFAOYSA-N	00000000100011000101100000000010000000000000000000000000	31-01-130061
s1c2CCN(Cc2cc1)C(=O)C(NC(=O)Cn1nc2n(CCCCC2)c1=O)CCC	PC-id_56424384	431.552	JIAKFWYDIOPCQO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-130062
s1c(CCNC(=O)C2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56179776	431.552	MIVXGNGZHSCCMV-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-130063
S1(=O)(=O)CCN(CC1)C(c1ccccc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_56515724	431.552	VSCWYCPCSFHVCU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130064
S(=O)(=O)(N1CCCCC1)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_60361100	431.552	QEYIFCCXLSXKSB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130065
S(=O)(=O)(N1CCC(CC1)C)c1ccc(cc1)C(=O)NCc1n2CCCCCc2nn1	PC-id_24676667	431.552	BWDLYTXNWDTWAX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130066
S(=O)(=O)(N1CC(CCC1)C(=O)NCCc1n2CCCCCc2nn1)c1ccccc1	PC-id_55652070	431.552	DOOPWNLMKJNRNB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130067
S(=O)(=O)(NC1CC1)c1ccc(cc1)CCC(=O)NCCc1n2CCCCCc2nn1	PC-id_55586012	431.552	JRODQEXGUWOXEN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-130068
S(=O)(=O)(NC(C(C)C)C(=O)NCc1n2CCCCCc2nn1)C=Cc1ccccc1	PC-id_74307554	431.552	JJKGCWBRBXJRDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130069
S(=O)(=O)(N[C@@H](C(C)C)C(=O)NCc1n2CCCCCc2nn1)/C=C/c1ccccc1	PC-id_24646557	431.552	JJKGCWBRBXJRDS-PKHIPVCBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130070
CC(=Nc1ccc(cc1)CN1CCc2c(CC1)scn2)c1c([nH]c2c1cc(cc2)N)O	PC-id_136434077	431.553	RBUINYMGHOWYQX-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-130071
Nc1ccc2c(c1)/C(=C(/Nc1ccc(cc1)CN1CCc3c(CC1)ncs3)C)/C(=O)N2	SCHEMBL7239379,PC-id_70030029	431.553	LHGFFRHSSSEAKG-HAHDFKILSA-N	00000010100000110101000000001010000000000000000000000000	31-01-130072
s1c2CCN(CCc2nc1)Cc1ccc(NC(=C2c3c(NC2=O)ccc(N)c3)C)cc1	PC-id_77761603	431.553	LHGFFRHSSSEAKG-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-130073
CC(c1ccc(c2-c(c1)c(C)cc2C=C1C(=O)N(c2c1cccc2)Cc1ccccc1)C)C	PC-id_25264406,SCHEMBL3282704	431.568	WUDYBOJUUFNEJE-UHFFFAOYSA-N	00000010100000110110000000001010000000000000000000000000	31-01-130074
CC(c1ccc(c2-c(c1)c(C)cc2/C=C
/C(=O)N(c2c1cccc2)Cc1ccccc1)C)C	SCHEMBL13324596	431.568	WUDYBOJUUFNEJE-MTDXEUNCSA-N	00000010100000110110000000001010000000000000000000000000	31-01-130075
CC(c1ccc(c2-c(c1)c(C)cc2/C=C/1C(=O)N(c2c1cccc2)Cc1ccccc1)C)C	SCHEMBL3282700,PC-id_68580206	431.568	WUDYBOJUUFNEJE-VEILYXNESA-N	00000010100000110110000000001010000000000000000000000000	31-01-130076
CCOCC1CCN(CC1)c1ccc(c(c1)N=C(c1c(=O)[nH]c2-c1ccccc2)CC)C	PC-id_144080598	431.57	JQAIKNKXUYUFMM-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-130077
COc1ccccc1N1CCN(CC1)Cc1cc(c2-c1ccccc2)CN1CCOCC1	BindingDB_PC-id_71454294,PC-id_71454294	431.57	RMDQSWIVOHIFNT-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-130078
CC(C)Oc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)c1	PC-id_20166122,ZINC22_32125161	431.571	ZVRBQUFBVVIJOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130079
CCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)c1	ZINC22_32125443,PC-id_20166119	431.571	XRIIZKYMZDXOJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130080
CCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	PC-id_20166125,ZINC22_32125207	431.571	XCZNHXIZQJKEOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130081
CC(C)Oc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	ZINC22_32125061,PC-id_20166127	431.571	GBYQWNHAUINKCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130082
O=C(Nc1cccc(S(=O)(=O)/N=C/CCCN2)c1)c1cc2c(s1)CCCCCC2	EMOLS-id_24136338,CoCoCo_3220834,MCULE-3532310686,ZINC22_13017904,PC-id_25674019	431.571	PGBSDWJUPSPOJF-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-130083
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCCN(C1)C(=O)c1sccc1	PC-id_46556774	431.571	DDKGMKSPUYCGNG-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-130084
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)c1sccc1	PC-id_46657161	431.571	FPUPPFYKONOFKU-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-130085
s1c2CCCCCc2cc1C(=O)NNC(=O)C1N(CCC1)C(=O)Cc1sccc1	PC-id_60572652	431.571	AVOBSXITTSOHQZ-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-130086
s1c2CCCCCc2cc1C(=O)NNC(=O)CCC(=O)N1CCc2sccc2C1	PC-id_55880718	431.571	CJZIIUIVWFJQJC-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-130087
s1c2CCCCCc2cc1C(=O)NNC(=O)CSCC(=O)Nc1cc(ccc1)C	PC-id_26778405	431.571	IEIZKUROOWNZRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130088
s1c2CCCCCc2c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)C)cc1)C#N	PC-id_44993093	431.571	IWVINRBNTBWICT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130089
s1c2c(CCCCC2)c(c1NC(=O)C1CCN(CC1)C(=O)c1sccc1)C(=O)N	PC-id_55381295	431.571	YYCSUCREDXPFBQ-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-130090
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)N1CCc2sccc2C1)C(=O)N	PC-id_55884315	431.571	CZTKFKWOWGSLEF-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-130091
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(N(C)C(=O)C)cc1)C(=O)OC	PC-id_19649203	431.571	GNUVNEYIXQUPOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130092
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(NC(=O)C)cc1)C(=O)OCC	PC-id_20414254	431.571	LWHLCRCWIBHZEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130093
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(NC(=O)C)ccc1)C(=O)OCC	PC-id_19678514	431.571	PXSRUSKJFRRDLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130094
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cccc1)C(=O)N)C(=O)OCC	PC-id_20414447	431.571	KUBFGEKTTZFHDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130095
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)N)C(=O)OCC	PC-id_20414689	431.571	KRYCZUVGXFADGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130096
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(NC(=O)C)cc1)C(=O)OC	PC-id_20414248	431.571	FZHSOPIYJZLUPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130097
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(NC(=O)C)ccc1)C(=O)OC	PC-id_19678509	431.571	GYEWUFPSISLBBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130098
S(=O)(=O)(NC1CC1)c1ccc(cc1)/C=C/C(=O)Nc1sc2CCCCCCc2n1	PC-id_56035101	431.571	YGWGWYYOFODSGL-NTEUORMPSA-N	00100000100000110101000000000010000000000000000000000000	31-01-130099
S(=O)(=O)(NC1CC1)c1ccc(cc1)C=CC(=O)Nc1sc2CCCCCCc2n1	PC-id_76295333	431.571	YGWGWYYOFODSGL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-130100
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(CCC(C)C)CCn12	PC-id_45169717,MCULE-9607897634,EMOLS-id_20396976	431.572	XFHRXNGFXJDDEG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-130101
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(CCC(C)C)CC3)o1	CoCoCo_1127768,CoCoCo_1127767,PC-id_42248163,ZINC22_11882123	431.572	XFHRXNGFXJDDEG-LJQANCHMSA-N	00000000101000000101000000000010000000000000000000000000	31-01-130102
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(CCC(C)C)CC3)o1	CoCoCo_1127770,CoCoCo_1127769,ZINC22_11882122,PC-id_42248161	431.572	XFHRXNGFXJDDEG-IBGZPJMESA-N	00000000101000000101000000000010000000000000000000000000	31-01-130103
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)C(=O)C1OCCC1)C#N	PC-id_78280303	431.572	QCQACLCQSITINL-UHFFFAOYSA-O	00000010100010000101000000000010000000000000000000000000	31-01-130104
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)C(=O)[C@@H]1OCCC1)C#N	PC-id_2543465	431.572	QCQACLCQSITINL-GOSISDBHSA-O	00000010100010000101000000000010000000000000000000000000	31-01-130105
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)C(=O)[C@H]1OCCC1)C#N	PC-id_2543468	431.572	QCQACLCQSITINL-SFHVURJKSA-O	00000010100010000101000000000010000000000000000000000000	31-01-130106
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12	EMOLS-id_20446563,MCULE-6548396149,PC-id_45181162	431.573	WYVHNOKIWDNRCP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130107
Cc1cc(C)cc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)c1	CoCoCo_1298472,ZINC22_20782119,PC-id_29152617,CoCoCo_1298473	431.573	SNIQEMCFNDJKCO-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130108
Cc1cc(C)cc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)c1	ZINC22_20782122,CoCoCo_1298474,PC-id_29152618,CoCoCo_1298475	431.573	SNIQEMCFNDJKCO-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130109
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C	PC-id_26344516,CoCoCo_1375462,ZINC22_14989858,CoCoCo_1375461	431.573	OJWQSCSMBLIHOW-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130110
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C	ZINC22_14989860,PC-id_26344519,CoCoCo_1375463,CoCoCo_1375464	431.573	OJWQSCSMBLIHOW-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130111
Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(C(C)C)cc2)CC3)cc1	ZINC22_12098045,EMOLS-id_20410206,PC-id_42405780,CoCoCo_1145305,MCULE-2878482151,CoCoCo_1145304	431.573	YLEUSJNLRWTPIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130112
Cc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@@H](C)c2ccccc2)CC3)c(C)c1	CoCoCo_1202219,PC-id_26277870,CoCoCo_1202217,ZINC22_14882103	431.573	IDVGXIWVSYIIIZ-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130113
Cc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@H](C)c2ccccc2)CC3)c(C)c1	CoCoCo_1202220,PC-id_26277868,CoCoCo_1202218,ZINC22_14882102	431.573	IDVGXIWVSYIIIZ-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130114
CCc1ccc(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)cc1	MCULE-9976046454,ChEMBL-DNDi_CHEMBL26719064,EMOLS-id_20494175,PC-id_45192182	431.573	KUVSASPVOWNYHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130115
CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	ZINC22_20599650,CoCoCo_1262911,CoCoCo_1262912,PC-id_29086337	431.573	KUVSASPVOWNYHP-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130116
CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	ZINC22_20599651,CoCoCo_1262913,PC-id_29086338,CoCoCo_1262914	431.573	KUVSASPVOWNYHP-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130117
CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1	MCULE-3555486443,EMOLS-id_20509307,CoCoCo_1284574,ZINC22_20775723,CoCoCo_1284573,PC-id_29150177	431.573	DOPQZYUYPWKEMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130118
CCC(C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1C)C	MCULE-4159532979,EMOLS-id_20489395,PC-id_45191109	431.573	NYQASJGHEVZOMJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130119
CC[C@H](C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1C)C	CoCoCo_1256004,CoCoCo_1256006	431.573	NYQASJGHEVZOMJ-LJQANCHMSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130120
CC[C@@H](C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1C)C	CoCoCo_1256005,CoCoCo_1256003	431.573	NYQASJGHEVZOMJ-IBGZPJMESA-N	00000000100000110101100000000010000000000000000000000000	31-01-130121
CC(CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3C)n2CC1)c1ccccc1	EMOLS-id_20451391,PC-id_45182284,MCULE-4413492684	431.573	IDVGXIWVSYIIIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130122
CCCn1nc2c(c1CCCc1onc(c1)c1ccccc1)C(=C)CCCCCN=C2N	PC-id_121321822,SCHEMBL17733561	431.573	JKFYRYQGIPLMFA-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-130123
CCC(=O)NC(c1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1)C(C)C	MCULE-7121366982,EMOLS-id_20742013,PC-id_45250941	431.573	DMGMIJOKKCEIQL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130124
CCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1)C(C)C	CoCoCo_1635113,CoCoCo_1635114	431.573	DMGMIJOKKCEIQL-RUZDIDTESA-N	00000000100000110101100000000010000000000000000000000000	31-01-130125
CCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1)C(C)C	CoCoCo_1635115,CoCoCo_1635116	431.573	DMGMIJOKKCEIQL-VWLOTQADSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130126
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccc(C)c(C)c3)CCn12	ChEMBL-DNDi_CHEMBL43433070,PC-id_45209859,MCULE-8795763265,EMOLS-id_20571489	431.573	OJWQSCSMBLIHOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130127
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3cc(C)cc(C)c3)CCn12	PC-id_45197760,EMOLS-id_20518813,ChEMBL-DNDi_CHEMBL31655243,MCULE-3996578813	431.573	SNIQEMCFNDJKCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130128
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	PC-id_26275850,ZINC22_14879874,CoCoCo_1195513,CoCoCo_1195512	431.573	WYVHNOKIWDNRCP-XMMPIXPASA-N	00000000100000110101100000000010000000000000000000000000	31-01-130129
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	ZINC22_14879875,PC-id_26275852,CoCoCo_1195515,CoCoCo_1195514	431.573	WYVHNOKIWDNRCP-DEOSSOPVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130130
Cn1cc2c(n1)CCCCC(C2)N(C(=O)c1cc(n(c1C)Cc1cccnc1)C)C1CC1	SCHEMBL19048297	431.573	LKESOSQIQIOMIT-UHFFFAOYSA-N	00100000110000101101000000000010000000000000000000000000	31-01-130131
Cc1cc2c(s1)SCC(=O)N(C2=O)CCCCN1CCN(CC1)c1ncccn1	SCHEMBL9039322,PC-id_19881070	431.575	MEDKRSQOHBWDJZ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-130132
CCN(c1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)cc1)S(=O)(=O)C	ZINC22_8943733,PC-id_17423728,CoCoCo_3890616,MCULE-8133439903,EMOLS-id_11972276	431.575	IBLWEHJUOPWTDD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130133
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)C(=O)C1CCCO1	PC-id_111301237	431.575	HWWVGVKEZJZNAH-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-130134
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1ncccn1)C(=O)OC	PC-id_19654896	431.575	ZZQKVGADFFRIQD-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-130135
s1c2c(CCCCCCCCCC2)c(c1N=CC1C(=O)CCCC1=O)C(=O)OCC	PC-id_23967161	431.588	DLJBEFGWFTYRMO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-130136
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+]C[C@H]([NH+](C)C)c1ccccc1)C(=O)OC	PC-id_2161434	431.591	GPUBHXOUQPYVLC-SFHVURJKSA-P	00000000100000110100000000000010000000000000000000000000	31-01-130137
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+]C[C@@H]([NH+](C)C)c1ccccc1)C(=O)OC	PC-id_2161436	431.591	GPUBHXOUQPYVLC-GOSISDBHSA-P	00000000100000110100000000000010000000000000000000000000	31-01-130138
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+]CC([NH+](C)C)c1ccccc1)C(=O)OC	PC-id_53457762	431.591	GPUBHXOUQPYVLC-UHFFFAOYSA-P	00000000100000110100000000000010000000000000000000000000	31-01-130139
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1c(OC)ccc(OC)c1	PC-id_30376980	431.591	UATYQKAZZCOXBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130140
CN(C)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408974137	431.593	XSTWADUTHQGSHK-OVVQPSECSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130141
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_19687956	431.593	IUBYZYVJPLHCKX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130142
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(cc3)SC)CCn12	PC-id_45244382,MCULE-1068825036,ChEMBL-DNDi_CHEMBL86686855,EMOLS-id_20715637	431.595	XZUALWMXSCTHPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130143
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCc1cscc1	SCHEMBL1174500,PC-id_66931850	431.595	QCLWHUYDJFPKPN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-130144
CN=C(NCC(c1cccs1)N1CCOCC1)NCCc1nnc2n1CCCCC2	PC-id_111283613	431.598	JAMYNELSDRTQRX-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-130164
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCc1cscc1	PC-id_57635322,SCHEMBL1174495	431.595	QCLWHUYDJFPKPN-LJQANCHMSA-N	00000000100100000101000000000010000000000000000000000000	31-01-130145
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(SC)cc1)CC2	CoCoCo_1594430,ZINC22_14994003,PC-id_26349324,CoCoCo_1594431	431.595	XZUALWMXSCTHPY-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130146
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(SC)cc1)CC2	PC-id_26349322,CoCoCo_1594433,CoCoCo_1594432,ZINC22_14994002	431.595	XZUALWMXSCTHPY-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-130147
O=C(Cc1csc(n1)c1cccs1)NNC(=O)c1sc2c(c1)CCCCCC2	CoCoCo_4288357,PC-id_24514859,EMOLS-id_43992126,MCULE-7023897799	431.595	CGVQQPLGMGJDQR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-130148
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)N(CC)CC)C#N	PC-id_37193300	431.595	VWXWRZYJTPPYQO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130149
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CC[NH+](CC1)CC(=O)NC1CC1)C#N	PC-id_9450193	431.595	XGBRACDQRQVPHR-UHFFFAOYSA-P	00100000100010000101000000000010000000000000000000000000	31-01-130150
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)CC(=O)NC(C)C)C)C#N	PC-id_78819511	431.595	TUXWQPGCVGMNHH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130151
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)CC(=O)N(CC)CC)C#N	PC-id_78829589	431.595	FDOAVVRNHARDAX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130152
s1c2c(CCCCC2)c(c1NC(=O)CSCc1sc2c(n1)cccc2)C(=O)N	PC-id_55334275	431.595	LDWVDOHPLUMKNT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-130153
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1nc(sc1)c1ccsc1	PC-id_46523734	431.595	PSEZJJNGODGNKM-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-130154
s1c(NC(=O)[C@@H]([NH+]2CC[NH+](CC2)CC(=O)NC2CC2)C)c(c2c1CCCCC2)C#N	PC-id_9292370	431.595	UJUBMLAUXNGUFN-HNNXBMFYSA-P	00100000100010000101000000000010000000000000000000000000	31-01-130155
s1c(NC(=O)[C@H]([NH+]2CC[NH+](CC2)CC(=O)NC2CC2)C)c(c2c1CCCCC2)C#N	PC-id_9292372	431.595	UJUBMLAUXNGUFN-OAHLLOKOSA-P	00100000100010000101000000000010000000000000000000000000	31-01-130156
s1c(NC(=O)C([NH+]2CC[NH+](CC2)CC(=O)NC2CC2)C)c(c2c1CCCCC2)C#N	PC-id_84972027	431.595	UJUBMLAUXNGUFN-UHFFFAOYSA-P	00100000100010000101000000000010000000000000000000000000	31-01-130157
S=c1n2c(nn1CN1CCN(CC1)Cc1c(cc(OC)c(OC)c1)C)CCCCC2	PC-id_9284888	431.595	QNPPKZKJRBVBMZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130158
Cc1cc(c2csc(Cc3nnc4n3CCCCC4)n2)c(C)n1CCc1ccccc1	MCULE-1791582170,CoCoCo_3890600,EMOLS-id_43914375,ZINC22_14200070,PC-id_17568775	431.596	NXQXXCFULUJYFZ-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-130159
Cc1cc(c(n1C(c1ccccc1)C)C)c1csc(n1)Cc1nnc2n1CCCCC2	MCULE-8685396836,EMOLS-id_11968884,PC-id_17420896	431.596	SQTRLROLBGHQGF-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-130160
Cc1cc(c(n1[C@H](c1ccccc1)C)C)c1csc(n1)Cc1nnc2n1CCCCC2	PC-id_40809025,GD-id_ZINC08745517,CoCoCo_3890605	431.596	SQTRLROLBGHQGF-SFHVURJKSA-N	00000000110000110101100000000010000000000000000000000000	31-01-130161
Cc1cc(c(n1[C@@H](c1ccccc1)C)C)c1csc(n1)Cc1nnc2n1CCCCC2	PC-id_40809026,CoCoCo_3890606	431.596	SQTRLROLBGHQGF-GOSISDBHSA-N	00000000110000110101100000000010000000000000000000000000	31-01-130162
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1cccs1)N1CCOCC1	PC-id_111284237	431.598	ZBYOOULCDCLSLF-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-130163
s1c2CCCCCc2cc1C(=O)Nc1sc(c2n(CC=C)c(=S)[nH]n2)c(n1)C	PC-id_24659479	431.598	FORSYQLGDDAQHB-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-130165
s1c2CCCCCc2cc1C(=O)Nc1scc(n1)Cc1n(CC=C)c(=S)[nH]n1	PC-id_24683274	431.598	IMIWBPOFZAARCT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130166
CN=C(N1CCN(CC1)c1snc(n1)CC)NCCCc1nnc2n1CCCCC2	PC-id_109526177	431.601	MPSCFEDEQWFZAY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-130167
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(SC(C)C)cc1)C(=O)OCC	PC-id_16838779	431.611	FZFHDDQABZHNDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130168
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(cc1)C)C(=O)OCC	PC-id_41086138	431.611	BEKWHYRZPVVEJF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130169
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1ccc(cc1)C)C(=O)OCC	PC-id_24001323	431.611	AYFYFLKGSMROGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130170
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1ccc(cc1)C)C)C(=O)OCC	PC-id_23743263	431.611	CLAQAHNJBONQBE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130171
CC(C)(CO)[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccs1	ZINC22_239761610	431.615	CJXAVEMKESPEMG-FQEVSTJZSA-N	00000000100100000100000000000010000000000000000000000000	31-01-130172
CC(C)(CO)[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccs1	ZINC22_239761611	431.615	CJXAVEMKESPEMG-HXUWFJFHSA-N	00000000100100000100000000000010000000000000000000000000	31-01-130173
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCC1CCCCC1	PC-id_66932428,SCHEMBL1176039	431.615	KGMLARQTZZUEBV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130174
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCCC1CCCC1	PC-id_66931975,SCHEMBL1174819	431.615	RUVDYLPKLTWGMS-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-130175
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCC1CCCCC1	SCHEMBL1176035,PC-id_57635659	431.615	KGMLARQTZZUEBV-OAQYLSRUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130176
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCCC1CCCC1	SCHEMBL1174814,PC-id_57635206	431.615	RUVDYLPKLTWGMS-OAQYLSRUSA-N	00000010100000000101000000000010000000000000000000000000	31-01-130177
N#Cc1c(NC(=O)CCNC(C(CO)(C)C)c2cccs2)sc2c1CCCCC2	EMOLS-id_76024432,PC-id_121566934,MCULE-4521815202	431.615	CJXAVEMKESPEMG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-130178
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(N(CC)CC)cc1)C(=O)OC	PC-id_20414827	431.615	VXFANOIANOETFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130179
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(N(C)C)cc1)C(=O)OCC	PC-id_20414767	431.615	RRJAMEGNJJNCJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130180
s1c2CCCCCCc2nc1NC(=O)C(NC(=O)c1cc(ccc1)C)CCSC	PC-id_56571837	431.615	OBSMEKMSWKSVCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130181
S1CCN(CCCCN2CCN(CC2)c2c(OC)cccc2)C(=O)c2c1scc2	PC-id_54487805	431.615	XTOXAYHCVVCVDM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-130182
S1CCN(CCCN2CCN(CC2)c2c(OC)cccc2)C(=O)c2c1sc(c2)C	PC-id_57049322	431.615	YNJLKVIXWHATQU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-130183
CCc1sc2c(c1)C(=O)N(CCS2)CCCCN1CCN(CC1)c1ncccn1	PC-id_19881073,SCHEMBL9038835	431.618	ZAHIXVRWJJSKMU-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-130184
CCNC(=NCC1(CCCCC1)N1CCOCC1)NCCc1nnc2n1CCCCC2	PC-id_111004315	431.618	ITJIQUZYJUYSOL-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-130185
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCC(C1)C(=O)NC(C)C	PC-id_112079435	431.618	NOEQIIDOUQMZBM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130186
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)CC1CCOC1	PC-id_112082007	431.618	HZQIGXPTGWPTKO-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-130187
CN=C(NC1CCN(CC1)C(=O)C(CC)CC)NCCCc1nnc2n1CCCCC2	PC-id_112077036	431.618	WTBVJSIWKFSPGI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130188
CN=C(NCC1(CCCCC1)N1CCOCC1)NCCCc1nnc2n1CCCCC2	PC-id_111003671	431.618	OWPUTYDWGKYGTE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-130189
s1c2CCCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)C(C)C)C#N	PC-id_19717373	431.618	UJIOCSMCFQXTJK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130190
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(C)C)CCC)C#N	PC-id_17264195	431.618	GNSODBWHCZIHKV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130191
c1(cc2c(CCCCC2)s1)C(=O)N1CCC(CC1)N1CCC(CC1)C(=O)NC(C)C	EMOLS-id_42638752,PC-id_16187465,ChEMBL-DNDi_CHEMBL1546029,ZINC22_12440641,CoCoCo_1312585,MCULE-7979690918,CoCoCo_1312586,CHEMBL1546029	431.634	PXERANPHYIPNIT-UHFFFAOYSA-N	00000000100010000100100000000010000000000000000000000000	31-01-130192
c1(NC(=O)CCC(=O)N(C2CCCCC2)C2CCCCC2)sc2c(CCCCC2)n1	MCULE-1275088698,EMOLS-id_334815761	431.634	DFSKTXXSCSNCBP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130193
CCNC(=NCC(N1CCCCCC1)C(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111937231	431.661	SAWBEUIAESXMNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130194
s1c(NC(=O)CNC2C3(CC(C2(C)C)CC3)C)nc2c1CCCCCCCCCC2	PC-id_43904247	431.678	UKIQVBCKPVGSMR-UHFFFAOYSA-N	00000010100010000101000000000110000000000000000000000000	31-01-130195
COC(=O)c1c2cc(n1COCC[Si](C)(C)C)CCCC/C=CC/C=C[C@@H]2C(C)C	PC-id_101128936	431.683	VJINKGUTKWNHAL-ISWNTGLESA-N	00000000100000000110000000000010000000000000000000000000	31-01-130196
Clc1ccc(c(c1)I)NC(=O)c1cc2c(s1)CCCCC2	PC-id_107640583	431.719	ROEOPHSXVKHQOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130197
Ic1ccc(c(c1)Cl)NC(=O)c1cc2c(s1)CCCCC2	PC-id_107606795	431.719	PVFKLYLOBBNTGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130198
OCCN(c1ccccc1)CCOB(c1c(Cl)nc2-c1ccccc2)c1ccccn1	PC-id_102031356	431.722	GGKVGZVZYABDQX-UHFFFAOYSA-N	00000010100000111110000000000010000000000000000000000000	31-01-130199
Clc1cc(c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc1)C(F)(F)F	PC-id_16509474	431.856	QTHFROGTTULHDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130200
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)c(ccc1)C(F)(F)F	PC-id_16509500	431.856	NSLJYPTWDQBFGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130201
O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1cc(C(F)(F)F)ccc1Cl	CoCoCo_2861415,ZINC22_12551603,EMOLS-id_43703957,PC-id_4869672,MCULE-6020503113	431.856	AUSPYUUHYVQFDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130202
O=C(c1n(C)cc2c1OC[C@@H](NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1)Cl)F	SCHEMBL18353495	431.866	NXXNPJVQXNMXSN-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130203
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1)Cl)F	PC-id_140762738	431.866	NXXNPJVQXNMXSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130204
Clc1c(n(nc1C)CCCNC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)C	PC-id_19523739	431.883	SKDMIKPAYWGOIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130205
Clc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCCN1CCOCC1	MCULE-2705023365,EMOLS-id_32846296,PC-id_45106992	431.916	JREHHXHNFIELAI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130206
Clc1ccc(CC(=O)N2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_78882318	431.916	BQPPPHOWVHBDPR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130207
Clc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(C(=O)N2CCCCC2)cc1	PC-id_56475405	431.916	KRHHUJSNGCTTJZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130208
O=C(N1CCCN(CC1)C(=O)c1ccccc1Cl)Cn1nc2n(c1=O)CCCCC2	PC-id_86832873	431.916	YIRQZXQRMDBGGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130209
CC(=O)NNC(=O)c1c(NC(=O)C=Cc2ccccc2Cl)sc2c1CCCCC2	PC-id_92046529	431.936	BNJBQVXAJCZIJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130210
Clc1ccc(N2CCC(C2=O)C(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_60566736	431.936	MHCNRKYHLNGKFW-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-130211
Clc1c(N2CCCC2=O)cc(cc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_18228441	431.936	ZGQRKXXZZVGMPL-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-130212
Clc1ccc(c2nc(sc2C)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56041321	431.939	PYYLGACYLDKQFR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130213
Clc1ccccc1CN1CCc2n(CC1)c(nn2)CNS(=O)(=O)c1ccccc1	PC-id_30853644,ChEMBL-DNDi_CHEMBL12037439	431.939	YKITYJORWBFQQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130214
Clc1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1	MCULE-3028578113,EMOLS-id_232714255,PC-id_42340067,ZINC22_11995340	431.939	JRRXCONJULOSQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130215
Clc1ccc(OCc2scc(n2)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55534830	431.939	LKRVQSROKZYGBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130216
CN(Cc1nnc2n1CCCCC2)C(=O)c1csc(COc2ccc(Cl)cc2)n1	PC-id_40019122,CoCoCo_4758527,MCULE-6010830257,ZINC22_32786755,EMOLS-id_25665989	431.939	VLSDUYKNNCDWMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130217
Clc1cc(n2c(SCC(=O)NCc3n4CCCCCc4nn3)nnc2)ccc1C	PC-id_24676738	431.942	ZFLFEZHRARJRGZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130218
Clc1cc(n2c(SCC(=O)NCCc3n4CCCCCc4nn3)nnc2)ccc1	PC-id_55553553	431.942	XWVLESFJCRNRRY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130219
CCC(c1nnc2n1CCCCC2)NC(=O)N1CCC(CC1)(O)c1ccccc1Cl	PC-id_139011032,MCULE-2957534830,EMOLS-id_320395591	431.959	HSPGZENOBPBRFW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-130220
CC[C@@H](NC(=O)N1CCC(O)(c2ccccc2Cl)CC1)c1nnc2n1CCCCC2	ZINC22_765536321	431.959	HSPGZENOBPBRFW-GOSISDBHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-130221
CC[C@H](NC(=O)N1CCC(O)(c2ccccc2Cl)CC1)c1nnc2n1CCCCC2	ZINC22_765536323	431.959	HSPGZENOBPBRFW-SFHVURJKSA-N	00000000100010110101100000000010000000000000000000000000	31-01-130222
Clc1ccc(C(=O)NC(CC(C)C)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_60389491	431.959	NFCLTLDDMUILPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130223
Clc1c(NC(=O)C[NH+](CC(=O)Nc2sc3CCCCCc3c2C#N)C)cccc1	GD-id_ZINC03584768,PC-id_2698525	431.959	FZYRMWNUVLAMLA-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-130224
O=c1n(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc2n1CCCCC2	EMOLS-id_15277834,MCULE-5713143510,ZINC22_12889403,PC-id_17488082,CoCoCo_4550787	431.961	AQQIIUFXESBWJO-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-130225
C[C@@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4179726,CoCoCo_4179728,ZINC22_9731582,PC-id_41190749,GD-id_ZINC09731582	431.962	ZVHHQSDQYUXYRF-SNVBAGLBSA-N	00000000100000100101000001000010000000000000000000000000	31-01-130226
C[C@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41190748,CoCoCo_4179725,CoCoCo_4179727,ZINC22_9731581	431.962	ZVHHQSDQYUXYRF-JTQLQIEISA-N	00000000100000100101000001000010000000000000000000000000	31-01-130227
Clc1cc2[nH]c(SC(C(=O)Nc3sc4CCCCCc4c3C#N)C)nc2nc1	EMOLS-id_11772391,PC-id_16333392,MCULE-5757014298	431.962	ZVHHQSDQYUXYRF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-130228
CN=C(NC1CCN(C1)c1cc(Cl)ccc1OC)NCc1nnc2n1CCCCC2	PC-id_111917153	431.962	RZUOLEQTLFNRIM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-130229
O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cc3c(s2)CCCCC3)CC1	MCULE-5265010884,ZINC22_65487731,PC-id_53540309,EMOLS-id_35749701	431.979	TVCIENYPEGVMKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130230
Clc1c(CN2CCn3c(nnc3CC2)CCNC(=O)C2C[NH+](CCC2)C)cccc1	PC-id_74554010	431.982	YZLVZRORFDZNKY-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-130231
Clc1c(CN2CCn3c(nnc3CC2)CCNC(=O)[C@H]2C[NH+](CCC2)C)cccc1	PC-id_28312475	431.982	YZLVZRORFDZNKY-GOSISDBHSA-O	00000000100010110101000000000010000000000000000000000000	31-01-130232
Clc1c(CN2CCn3c(nnc3CC2)CCNC(=O)[C@@H]2C[NH+](CCC2)C)cccc1	PC-id_28312477	431.982	YZLVZRORFDZNKY-SFHVURJKSA-O	00000000100010110101000000000010000000000000000000000000	31-01-130233
CCN(C(c1ccccc1Cl)CNC(=NC)NCc1nnc2n1CCCCC2)CC	PC-id_111323918	432.005	DFDWAWHQHHIBPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130234
c1(C(=O)NCCN2CCN(CC2)c2c(C)ccc(Cl)c2)csc2CCCCCc12	CoCoCo_2171613,CoCoCo_2171614,MCULE-3583455512,PC-id_20881891,EMOLS-id_16062891	432.022	WGOPCGUBDDNCQY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-130235
C[C@@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)[C@H](C#C)O	PC-id_155257989	432.09	JZVYJBCMIWSJCG-HNAYVOBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130236
C[C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)[C@H](C#C)O	PC-id_155257990	432.09	JZVYJBCMIWSJCG-KXBFYZLASA-N	00000000100000110101000000000010000000000000000000000000	31-01-130237
C[C@@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)[C@@H](C#C)O	PC-id_155257991	432.09	JZVYJBCMIWSJCG-DNVCBOLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130238
C[C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)[C@@H](C#C)O	PC-id_155258012	432.09	JZVYJBCMIWSJCG-BEFAXECRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130239
CC#CC(C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682042	432.09	WJXLYIPJOASRTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130240
CC(C#C)(C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155257963	432.09	CXDLSANLIPOCTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130241
C[C@@](C#C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155061989	432.09	CXDLSANLIPOCTR-DNVCBOLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130242
CC(C#C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155061992	432.09	CXDLSANLIPOCTR-NYRJJRHWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130243
C[C@@](C#C)([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155258002	432.09	CXDLSANLIPOCTR-HNAYVOBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130244
CC(C#C)([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155258005	432.09	CXDLSANLIPOCTR-FUKCDUGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130245
CC#C[C@@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682065	432.09	WJXLYIPJOASRTF-CABCVRRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-130246
CC#C[C@H]([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682170	432.09	WJXLYIPJOASRTF-LSDHHAIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130247
CC#C[C@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682332	432.09	WJXLYIPJOASRTF-HUUCEWRRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130248
CC#C[C@@H]([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155257970	432.09	WJXLYIPJOASRTF-GJZGRUSLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130249
Brc1sc(c2c1OCCOCCOCCOCCO2)Br	PC-id_101920459	432.125	KKQKDVLNFTWZTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130250
CC1(COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C(CC=C)O	PC-id_154682002	432.127	YRXVELPIZSMHAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130251
CC(=C)[C@]1(CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)CO	PC-id_155062034	432.127	IHHOATREHSBGKP-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130252
CC(C=C)(C1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155062052	432.127	DGMXARDDOLOBBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130253
CC(CC=C)(C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682162	432.127	CWZANPFUXYSKSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130254
CC(C)(C=C)C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155062000	432.127	LMQIONXGZZMJIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130255
CC(C)(C=C)[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154682167	432.127	LMQIONXGZZMJIE-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130256
CC(C)(C=C)[C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155257976	432.127	LMQIONXGZZMJIE-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130257
Brc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(n2ncnc2)cc1	PC-id_56238118	432.275	GXNNQTRAYDPJJF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130277
C[C@@](C=C)([C@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682124	432.127	DGMXARDDOLOBBS-YLJYHZDGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130258
C[C@](C=C)([C@@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682252	432.127	DGMXARDDOLOBBS-PXNSSMCTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130259
C[C@](C=C)([C@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682329	432.127	DGMXARDDOLOBBS-XLIONFOSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130260
CC(C=C)([C@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155062023	432.127	DGMXARDDOLOBBS-DIAVIDTQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130261
CC(C=C)([C@@H]1CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155062105	432.127	DGMXARDDOLOBBS-DIMJTDRSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130262
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CCC(NS2(=O)=O)C(CC=C)O	PC-id_154682190	432.127	JLUHLHQKYJYOIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130263
CC1=C(SC2=C1SC[C@@H](C(=O)N2C)NC(=O)OC(C)(C)C)C#CC3=CN(N=C3)C	PC-id_147711441	432.129	GUUBFESAXBXALW-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130264
CC(C)NS(=O)(=O)N1CC=CCC2=C(N(N=C21)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_149525100	432.138	ZLMWZJARLOKJMM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-130265
CN1C2=CC(=NN2CCC(C1=O)NC(=O)C3=NN=C(C3)CC4=CC=CC=C4)C(F)(F)F	PC-id_160828283	432.152	SGLUSKJERSYOHE-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-130266
CN1C2=CC(=NN2CC[C@@H](C1=O)NC(=O)C3=NN=C(C3)CC4=CC=CC=C4)C(F)(F)F	PC-id_160828282	432.152	SGLUSKJERSYOHE-AWEZNQCLSA-N	00000011100000110101000000000010000000000000000000000000	31-01-130267
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)NCC(=O)N2	PC-id_154421447	432.18	HSXYZXJYLGPKTP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130268
CCCC[Sn](CCCC)(CCCC)C1=C2C=CC=CC=C2C(=C1)C	PC-id_161202031	432.184	FYULGVDCKHWPSO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-130269
CC(C)(C)C1=CC(=C(C=C1)C(=O)N)C2=CC=C(C=C2)C(=O)N3CCCCC4=C3C=CS4	PC-id_153898177	432.187	KTWDKWPJQPYEDF-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-130270
CCCC(=C)C1=CC=CC(C2=C1SC=C2COC3=C(C=CC(=C3)C4=NN=C(O4)C)C)C	PC-id_164084210	432.187	XAIBRQHJTCNLTQ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-130271
CCC(=O)CC1CCC(CC1)CCN2CCC3=C(CC2)SC(=N3)OCC(F)(F)F	PC-id_161476560	432.206	WDUGKSKQGKMWGQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130272
Cc1cc(COC(=O)N2CCCn3c(C2)cc(n3)Br)cc(c1)C(F)(F)F	SCHEMBL16129827,PC-id_117616632	432.235	OPUNGRHWJRPAEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130273
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=C(ON=C3CC)C	PC-id_155203625	432.237	OLDYOJZJRIFHTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130274
Cc1cc2c(cc1)NC(=O)/C/2=Cc1c(c2c([nH]1)CCCN(C2=O)CCN1CCCCC1)C	PC-id_163560635	432.253	FQXULHJVJXKLEL-SILNSSARSA-N	00000010100010100100000000001010000000000000000000000000	31-01-130275
O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OCC1CCOc2c(O1)csc2	PC-id_143010661	432.259	KFGHURUUNXAYFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130276
C1CN(Cc2cc(nn2C1)C#N)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_86345516,SCHEMBL16100013	432.32	SKCSWSQASYQQFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130278
CCN(CCN1CCCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(B)cc2)CC	SCHEMBL13480266	432.366	VBYPXHSZWNJDSR-CYVLTUHYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-130279
Brc1cccc(c1)NS(=O)(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	SCHEMBL15878826,CHEMBL1836991,PC-id_53483976	432.374	WPGMZYWSHKBMQD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130280
FC([C@H]1C=Cc2c(C(=O)Nc3ccnc(c3)C(F)F)n(cc2S(=O)(=O)NC1)C)F	SCHEMBL21337071,PC-id_139471075	432.393	GHXYIXBNZBJMBL-VIFPVBQESA-N	00000000100000101111000000000010000000000000000000000000	31-01-130281
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14965750,PC-id_89580147	432.396	FODGHRUTNDNYMU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130282
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1cc(ccc1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14965761,PC-id_89580155	432.396	DQIBYGOPDQYNMV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130283
CC1(C)CNC(=O)c2c(C(=O)Nc3ccn(c4cccc(C(F)(F)F)c4)n3)coc2C1	ZINC22_1266525016	432.396	GVSRUPIQUACPCK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130284
O=C1[C@H](CCn2c(N1C)cc(c2)C(F)(F)F)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19228496	432.399	YHSRWVZJKLPHBO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130285
C1CCc2c(CC1)sc(c2C(=O)Nc1ccccc1)NC(=O)C(C(F)(F)F)(F)F	PC-id_135363284,SCHEMBL20542087	432.407	VLOZEPBBNGARLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130286
Fc1cc(C(=O)N2CC(c3c(n(c(c3)C(=O)OCC)C)C(=C2)C(=O)O)(C)C)ccc1F	PC-id_44193561	432.417	ASUGOWQPKSAEAT-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-130287
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OCC(=O)O)C	SCHEMBL8164693	432.424	XWGDMZRYQSWNMD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-130288
CCOC(=O)ONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	PC-id_23296747,SCHEMBL8159781	432.424	WIODAEUECVTENB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-130289
CCOC(=O)ONC(=O)Cc1ccc2-c(c(c1CC)CC)c(c(c2C(=O)O)N)C(=O)O	PC-id_141009982	432.424	KSDYGQZRMSAETD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-130290
COCN(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)C(=O)O	SCHEMBL8164687,PC-id_53751383	432.424	DBJCMAZOKTVCMO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-130291
o1nc2n(C(CCCC2)C(=O)NCC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1=O	SCHEMBL6798207,PC-id_69898879	432.427	AVLMOQGEMKEZCQ-MLCCFXAWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130292
o1nc2n(C(CCCC2)C(=O)NCCC(NC(=O)OCc2ccccc2)C(=O)O)c1=O	PC-id_23500590	432.427	AVLMOQGEMKEZCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130293
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1nn(Cc2c(cccc2)C)cn1	PC-id_19523777	432.442	VOIGVMZQANUFPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130294
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1nn(Cc2ccc(cc2)C)cn1	PC-id_19523752	432.442	XGZMASYMJPLWQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130295
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1nn(Cc2cc(ccc2)C)cn1	PC-id_19523770	432.442	OXKFBPFKNYQUEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130296
O=C(c1ccc(cc1)n1ccc(n1)C(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_86884578	432.442	ZFSZFBMPAOWBRL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130297
Fc1c(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)cc(F)cc1	PC-id_42406833	432.444	CHRZKOAITADKNI-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-130298
Fc1c(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2oc(cc2)COC)c(F)ccc1	PC-id_42454425	432.444	UXZWHTMLDSSJMZ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-130299
O=C(c1n(C)cc2c1OCC(NS2)C(c1ccccn1)O)Nc1ccc(c(c1)F)F	SCHEMBL21337270,PC-id_139471271	432.444	QAMGKPZPRALKSV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130300
O=C(c1n(C)cc2c1OCC(NS2)C(c1ccncc1)O)Nc1ccc(c(c1)F)F	SCHEMBL21337318,PC-id_139471319	432.444	SHGPIGVDNDJRFC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130301
Fc1ccc(C(=O)Oc2c(OC)cc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_4816134	432.447	AXSAUBQCAWCNPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130302
Fc1ccc(C(=O)Oc2c(OC)cc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_6214743	432.447	AXSAUBQCAWCNPF-QGOAFFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-130303
s1c2c(CCCCC2)c(c1NC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OC)C(=O)OC	PC-id_52638615	432.447	QFSPUHJYRPNJRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130304
c1(NC(=O)c2cc(c(c(c2)N(=O)=O)C)N(=O)=O)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_1709224,EMOLS-id_4117539,PC-id_17386643,MCULE-8136346974,ZINC22_4177405,TIMTEC442083	432.45	SAYLONHVZHJJOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130305
Cc1nc2ccccn2c1C(=O)N1CCCn2ncc(C(=O)Nc3cccc(F)c3)c2C1	ZINC22_1565555999,EMOLS-id_313765065	432.45	TUDTYPZTYRXRLI-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-130306
O=Cc1c(nc2-c1ccccc2)N=P(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_101383116	432.453	AHUFGBCSGNAFAF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130307
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(F)c(F)cc(F)c1F)C(=O)OC	PC-id_20413339	432.455	WTEBLGSRYVLNNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130308
CCOC(=O)[C@@](C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)N(C)C	CoCoCo_1743478,PC-id_92848212	432.46	FXXRDILPKIXWME-QGZVFWFLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-130309
CCOC(=O)[C@](C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)N(C)C	CoCoCo_1743479,PC-id_92848211	432.46	FXXRDILPKIXWME-KRWDZBQOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-130310
CCOC(=O)C(NC(=O)N(C)C)(Nc1sc2CCCCCc2c1C#N)C(F)(F)F	MCULE-1446856090,PC-id_46498283,EMOLS-id_24306711	432.46	FXXRDILPKIXWME-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-130311
Fc1c(C(=O)NCC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc(F)c1	PC-id_46692022	432.467	YINUETUASXBTJN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130312
OCCCCONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	SCHEMBL8160081,PC-id_23296740	432.467	OKBCYSAMRBGDEF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-130313
O=c1n2CCCCCc2nn1CC(=O)N(Cc1cc(OC)cc(OC)c1)CC(=O)OC	PC-id_56061708	432.47	FQPNQYUFOCFIJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130314
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc3c(OCO3)c1)c2)Cc1ccc(cc1)C	EMOLS-id_32846110,MCULE-7873725418,PC-id_50797865	432.472	PSPQXRLSBDXSJK-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-130315
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc3c(OCO3)c1)c2)Cc1cccc(C)c1	MCULE-8117330995,EMOLS-id_32633118,PC-id_53029187	432.472	GICQKGMMLDEHOD-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-130316
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)NC(=O)CNC2=O	PC-id_141558572	432.472	JMOFMHFRQWYLQF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130317
CCCCc1nc2c(n1Cc1ccc(c(c1)C(=O)O)c1ccccc1)C(=O)NCC(=O)N2	PC-id_141558571	432.472	DDPQQKPKLWXZIJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130318
CNc1c2c(ncnc1=NCc1ccc(cc1)OC)n(c(=O)[nH]2)Cc1ccc(cc1)OC	PC-id_136647955	432.475	HKNPKXUXWJBUCV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-130319
CNc1c(ncnc2-c1nc(=O)n2Cc1ccc(cc1)OC)NCc1ccc(cc1)OC	PC-id_91361659	432.475	CXHXXJLGLXOWDV-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-130320
COc1ccccc1C(=O)NCc1nnc2CCN(CCn12)C(=O)/C=C/c1cccnc1	PC-id_42376072,EMOLS-id_232754061,ZINC22_12048096	432.475	ONEVBNODDZKBJP-CMDGGOBGSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130321
n12CCN(CCc1nnc2CNC(=O)c1ccccc1OC)C(=O)C=Cc1cccnc1	PC-id_74793072,MCULE-6413029915	432.475	ONEVBNODDZKBJP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130322
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(OCc2nc3n(c2)cccc3)ccc1	PC-id_56582625	432.475	CGDVOGMZDZORGU-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-130323
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCc1cccnc1)Cc1ccccc1	PC-id_46159896	432.475	BPMGTLAXNRGNPP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130324
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCc1ccncc1)Cc1ccccc1	PC-id_46159959	432.475	PEHAKDBAWMXYCH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130325
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCc1ncccc1)Cc1ccccc1	PC-id_46049587	432.475	ZSLQKKBFURZTLS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130326
O=C(c1occc1c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nnnn2CC1	ZINC22_2325827605	432.475	KYGFBSMKWZPZGK-BZSNNMDCSA-N	00000010101000110101100000000110000000000000000000000000	31-01-130327
O=C(c1occc1c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nnnn2CC1	ZINC22_2325827606	432.475	KYGFBSMKWZPZGK-SQNIBIBYSA-N	00000010101000110101100000000110000000000000000000000000	31-01-130328
COC(c1nn(c2c1CCCCC2Cc1cccc(c1)F)/C(=C/C)/C(=CC(=C)F)/F)O	PC-id_143431366	432.479	XLGWGRVGFUDELL-OHHJYDAZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130329
C=C/C=CC=C/1CC/C=C(/n2c(/N=C(/C1)C)cc(n2)CC(=O)N1CCCC1)C(F)(F)F	PC-id_144767707	432.482	SFCKZDXRGWVRAN-IGKBTFLDSA-N	00000010100000000111000000000010000000000000000000000000	31-01-130330
Fc1cc2/C(=C/c3c4-c(c(c3)C)c(OCCN3CCOCC3)cccc4)/C(=O)Nc2cc1	BindingDB_PC-id_52946208,PC-id_52946208,CHEMBL1257444	432.487	CTTXJZSRPYTLCR-JCMHNJIXSA-N	00000010100010100111000000001010000000000000000000000000	31-01-130331
Fc1cc2C(=Cc3c4-c(c(c3)C)c(OCCN3CCOCC3)cccc4)C(=O)Nc2cc1	PC-id_75969695	432.487	CTTXJZSRPYTLCR-UHFFFAOYSA-N	00000010100010100111000000001010000000000000000000000000	31-01-130332
c1(c2CCCCCc2sc1NC(=O)COCC(=O)O)C(=O)Nc1ccccc1OC	CoCoCo_6832483,ZINC22_17097939,PC-id_17377012,EMOLS-id_4117627,MCULE-7978197443,TIMTEC426656	432.49	RJTWVHGQVDHWLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130333
c1(c2CCCCCc2sc1NC(=O)COCC(=O)O)C(=O)Nc1ccc(cc1)OC	EMOLS-id_4117645,CoCoCo_6831944,PC-id_17377001,TIMTEC297462,MCULE-5779683825,ZINC22_17097946	432.49	LVPGLILJTJIISA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130334
c1(c2CCCCCc2sc1NC(=O)COCC(=O)O)C(=O)Nc1cccc(OC)c1	MCULE-5093905839,ZINC22_17097943,PC-id_17377017,CoCoCo_6831677,TIMTEC379868,EMOLS-id_4117637	432.49	PJKVHDLHEAPIMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130335
c1(NC(=O)c2ccc(c(c2)N(=O)=O)OC)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4117641,CoCoCo_5832523,MCULE-2221682410,ZINC22_2763720,PC-id_4642867,TIMTEC69194	432.49	BAZUBIIDCCWACS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130336
c1(NC(=O)COc2ccc(c(C)c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_8856860,EMOLS-id_6775151,PC-id_3642702,MCULE-5212057561,CoCoCo_1754889	432.49	DEYPXCRAXULSAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130337
c1(NC(=O)COC(=O)c2ccc(c(N)c2)OC)sc2c(CCCCC2)c1C(=O)OC	MCULE-8651211119,PC-id_53270041	432.49	YGTAVIYZQUDEHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130338
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1c(OCC)nccc1)C(=O)OC	PC-id_3942644	432.49	LEDOMIYTSQOAGH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-130339
Fc1cc(CC(=O)NCc2n3CCN(CCc3nn2)Cc2[nH]c3c(c2)cccc3)ccc1	PC-id_26361790,CoCoCo_1624457,CoCoCo_1624456	432.493	GEEJLDPJPXHAEY-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-130340
N1(Cc2ccccn2)C(=O)c2c(cc(cc2)C(=O)Nc2sc3c(CCCCC3)n2)C1=O	MCULE-6943025305,EMOLS-id_334604146	432.495	HYPFXDLUDQDXSF-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-130341
COc1ccc(cc1)Cn1cc2c(n1)N(CCCN1CCC(CC1)(F)F)CCCC2=O	SCHEMBL15129805,PC-id_89705114	432.507	KHVYNZFDERVSQA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130342
s1c2CCCCCCc2cc1C(=O)OCC(=O)N(CCC(=O)N)c1ccc(F)cc1	PC-id_46644981	432.508	HLOWCZJAPZGDIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130343
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3ccc(cc3F)F)CCn12	MCULE-5256876709,ChEMBL-DNDi_CHEMBL10962337,PC-id_118754071,EMOLS-id_68869491	432.51	UVRUTYKFZMTNPJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130344
C[C@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	ZINC22_299768400	432.51	UVRUTYKFZMTNPJ-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130345
C[C@@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	ZINC22_299768406	432.51	UVRUTYKFZMTNPJ-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130346
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2c(n1)cccc2)C(F)F)C#N	PC-id_46660766	432.51	RVQYGNMJRCXNEC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-130347
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(F)ccc(F)c3)C)CC2)ccc1C	PC-id_42190883	432.51	LESRLQHBCTUQIP-CQSZACIVSA-O	00000000100100110101000000000010000000000000000000000000	31-01-130348
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(F)ccc(F)c3)C)CC2)ccc1C	PC-id_42190886	432.51	LESRLQHBCTUQIP-AWEZNQCLSA-O	00000000100100110101000000000010000000000000000000000000	31-01-130349
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(F)ccc(F)c3)C)CC2)c(cc1)C	PC-id_42317896	432.51	AQTBCYOBSYJUNM-CQSZACIVSA-O	00000000100100110101000000000010000000000000000000000000	31-01-130350
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(F)ccc(F)c3)C)CC2)c(cc1)C	PC-id_42317898	432.51	AQTBCYOBSYJUNM-AWEZNQCLSA-O	00000000100100110101000000000010000000000000000000000000	31-01-130351
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(F)ccc(F)c3)C)CC2)ccc1C	PC-id_74777645	432.51	LESRLQHBCTUQIP-UHFFFAOYSA-O	00000000100100110101000000000010000000000000000000000000	31-01-130352
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(F)ccc(F)c3)C)CC2)c(cc1)C	PC-id_74791722	432.51	AQTBCYOBSYJUNM-UHFFFAOYSA-O	00000000100100110101000000000010000000000000000000000000	31-01-130353
CNC(=O)c1ccccc1C[C@H](NC(=O)[C@H](Cc1ccc2-c1ccccc2)CC(=O)O)C	SCHEMBL8586451,PC-id_67632612	432.512	ZJZSLJKTVTXXKV-DYESRHJHSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130354
CNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)O)CCc1ccc2-c1ccccc2)Cc1ccccc1	PC-id_18395270,SCHEMBL8485625	432.512	UXZVZKALVPCZLE-GGAORHGYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130355
O=C(NC(Cc1ccccc1)C(=O)NC)C(CCc1c2-c(cc1)ccccc2)CC(=O)O	PC-id_19606521	432.512	UXZVZKALVPCZLE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130356
O=C(NC(Cc1c(cccc1)C(=O)NC)C)C(Cc1c2-c(cc1)ccccc2)CC(=O)O	PC-id_77326792	432.512	ZJZSLJKTVTXXKV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130357
COCCn1nc2n(c1=O)CCC(CC2)CC(=O)NCCc1ccc(c(c1)OC)OC	EMOLS-id_207877340,MCULE-5737600541	432.513	HHAUNTVCYJIPRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130358
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)C)cc1)C#N	PC-id_45659275	432.513	VPMGMRKXADDYSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130359
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)C)ccc1)C#N	PC-id_41921760	432.513	ZSYITGIAQGYYJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130360
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(S(=O)(=O)C)cccc1)C#N	PC-id_30472359	432.513	GECDCJNINGTRLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130361
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OCC)c2)Cc1ccc(cc1)C	EMOLS-id_32846160,PC-id_50797936,MCULE-7711838412	432.515	QITLTYPHJRTTOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130362
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OCC)c2)Cc1cccc(C)c1	MCULE-3928177384,EMOLS-id_32633234,PC-id_53034589	432.515	GJZSPKDMPDVYGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130363
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OC(C)C)c2)Cc1ccccc1	PC-id_20964725,MCULE-1772444900,EMOLS-id_16324648,CoCoCo_2544523	432.515	DKDKMZAAKBNJBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130364
c1(ccc2CN(CCCn12)Cc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccco1	EMOLS-id_317417305,MCULE-3787669597	432.515	HKBGSYUATWRTBB-UHFFFAOYSA-N	00000000101010110101000000000010000000000000000000000000	31-01-130365
COc1ccccc1OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CC1CC1	PC-id_134808638	432.515	ARZCBDBBIOGVEH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-130366
O=C1N(CCCn2nc(cc12)C(=O)NCc1c(OCC)cccc1)Cc1ccc(cc1)C	PC-id_16028396,CHEMBL1473097	432.515	GJFTTYIGSXBXCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130367
C1CCc2c(CC1)sc(c2)C(=O)NNC(=O)CN=C1c2ccccc2S(=O)(=O)N1	EMOLS-id_43993119,PC-id_136046015,MCULE-7177896387,CoCoCo_4293651	432.516	DWZKUMPGGJLEKJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-130368
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3cc4c(cccc4)[nH]3)CCn12	MCULE-2695206124,PC-id_45165721,EMOLS-id_232706129	432.518	DRTULDVYSOLCPP-UHFFFAOYSA-N	00000000101000100101000001100010000000000000000000000000	31-01-130369
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(CC=Cc3ccccc3OC)CCn12	MCULE-5019395804,PC-id_74417278	432.518	ZFNLVUWQZQERTH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130370
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(CCn12)C(=O)CCc1cccnc1	PC-id_42277848,MCULE-9483919948,EMOLS-id_232732576,ZINC22_11913300	432.518	MTAIJLSZSUBNIG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130371
Cc1ccc(C(=O)N2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(C)c1	MCULE-9595416236,ZINC22_14881700,CoCoCo_1200640,EMOLS-id_20450233,PC-id_26277332	432.518	KNRRKBZIUBLWCV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130372
CCC(C)C(=O)Nc1ccccc1C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	EMOLS-id_289996377,MCULE-9242163793	432.518	VJVKZHNZTXGYJT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130373
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2	ZINC22_11973679	432.518	DRTULDVYSOLCPP-JOCHJYFZSA-N	00000000101000100101000001100010000000000000000000000000	31-01-130374
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2	ZINC22_11973684	432.518	DRTULDVYSOLCPP-QFIPXVFZSA-N	00000000101000100101000001100010000000000000000000000000	31-01-130375
CC[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_952972365	432.518	VJVKZHNZTXGYJT-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130376
CC[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1	ZINC22_952972373	432.518	VJVKZHNZTXGYJT-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130377
COc1ccccc1/C=C/CN1CCc2nnc(C(C)NC(=O)c3cccnc3)n2CC1	PC-id_45236444,EMOLS-id_26017859	432.518	ZFNLVUWQZQERTH-RMKNXTFCSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130378
COc1ccccc1/C=C/CN1CCc2nnc([C@@H](C)NC(=O)c3cccnc3)n2CC1	ZINC22_12457488,CoCoCo_1544933,CoCoCo_1544935,PC-id_25296487	432.518	ZFNLVUWQZQERTH-AHKGRUIUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130379
COc1ccccc1/C=C/CN1CCc2nnc([C@H](C)NC(=O)c3cccnc3)n2CC1	ZINC22_12457490,PC-id_25296491,CoCoCo_1544937,CoCoCo_1544939	432.518	ZFNLVUWQZQERTH-YOCVDRLZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130380
COc1ccccc1/C=CCN1CCn2c(CC1)nnc2[C@H](NC(=O)c1cccnc1)C	CoCoCo_1544934,CoCoCo_1544932	432.518	ZFNLVUWQZQERTH-OTIVFRFGSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130381
COc1ccccc1/C=CCN1CCn2c(CC1)nnc2[C@@H](NC(=O)c1cccnc1)C	CoCoCo_1544938,CoCoCo_1544936	432.518	ZFNLVUWQZQERTH-KKMIYCERSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130382
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(n2nnnc2)ccc1	PC-id_56078929	432.52	QCSXNSDEZOUHLK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130383
CCN(CCCOc1ccccc2-c1c(C)cc2/C=C/1C(=O)Nc2c1cc(F)cc2)CC	BindingDB_PC-id_52941363,SCHEMBL3285843,CHEMBL1258265,PC-id_52941363	432.53	FDSSIMWUNGQCAX-KQWNVCNZSA-N	00000010100000100110000000001010000000000000000000000000	31-01-130384
CCN(CCCOc1ccccc2-c1c(C)cc2/C=C
/C(=O)Nc2c1cc(F)cc2)CC	SCHEMBL13324687,BindingDB_PC-id_52942593,CHEMBL1258264	432.53	FDSSIMWUNGQCAX-XQNSMLJCSA-N	00000010100000100110000000001010000000000000000000000000	31-01-130385
Fc1cc2C(=Cc3c4-c(c(c3)C)c(OCCCN(CC)CC)cccc4)C(=O)Nc2cc1	PC-id_52942593	432.53	FDSSIMWUNGQCAX-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-130386
s1c2CCCCCc2cc1C(=O)NNC(=O)c1sc2c(c1COC)c(F)ccc2	PC-id_24554097	432.531	XGOARERSSFFVSL-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-130387
s1c2c(CCCCC2)c(c1NC(=O)c1sc2c(c1COC)c(F)ccc2)C(=O)N	PC-id_60599645	432.531	OFNNRYRXZQRJSP-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-130388
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCSc1ccc(F)cc1)C#N	PC-id_24347461	432.531	ZDXMTKKPSDAGAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130389
s1c2c(CCCCC2)c(c1NC(=O)c1c(SCC)cccc1)C(=O)NC(=O)OC	PC-id_41028369	432.556	MSBUFQSQIVNXHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130447
COc1ccc(c(c1OC)OC)CC(=O)NNC(=O)c1sc2c(c1)CCCCCC2	MCULE-5422205925,PC-id_24503166,EMOLS-id_19713044,CoCoCo_4198057	432.533	CQWYMLCPXGTLKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130390
COC(=O)c1c(NC(=O)CCN2C(=O)C3CCCCC3C2=O)sc2CCCCCc12	EMOLS-id_8867145,MCULE-6137864441,PC-id_19590829,TIMTEC393386	432.533	PYOHQNFYYAYQFP-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130391
COC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)sc2c1CCCCC2	ZINC22_102446014,PC-id_98311566	432.533	PYOHQNFYYAYQFP-OKILXGFUSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130392
COC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc2c1CCCCC2	ZINC22_102446019,PC-id_98311567	432.533	PYOHQNFYYAYQFP-KBPBESRZSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130393
COC(=O)c1c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)sc2c1CCCCC2	ZINC22_36613660,PC-id_51853058	432.533	PYOHQNFYYAYQFP-ZIAGYGMSSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130394
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1cc(OC)c(OC)c(OC)c1	PC-id_43004228	432.533	RPLGLFOZBIBLJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130395
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1cc(OC)c(OC)c(OC)c1	PC-id_24409825	432.533	AQSWXJYJEAKINV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130396
c1(NC(=O)c2ccc(cc2)C(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)NC	ZINC22_12064304,EMOLS-id_12121342,PC-id_42388406,CoCoCo_5058670,MCULE-9024838206	432.535	OCYJSUUBZBHLQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130397
O=C(N1CCCC(=O)c2c1sc(c2C)C)c1ccc(cc1)NC(=O)c1ccccc1C	PC-id_139690663	432.535	BJYHWHVBRKODLJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130398
O=C(Nc1ccccc1)c1c(/N=C/c2ccc3c(c2)OCO3)sc2c1CCCCCC2	ZINC22_408971415	432.535	ODVXUFQYUDPMJP-CVKSISIWSA-N	00000010100000110101000000001010000000000000000000000000	31-01-130399
O=C(O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408969925	432.535	XBWXWQHIIBXLIZ-WGOQTCKBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130400
CC(C)N1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(cc1)N1CCOCC1	PC-id_53182974,EMOLS-id_33087990,MCULE-5660538592	432.536	BOWJFYCZFYPNOJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-130401
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)N1CCN(CC1)c1ccccc1OC	PC-id_53182934,EMOLS-id_33087320,MCULE-6209236806	432.536	GIFGBVMUZJOKLY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-130402
COc1cccc(c1)N1CCN(CC1)C(=O)c1ccc2CN(CCCn12)S(=O)(=O)C	EMOLS-id_317417052,MCULE-9587967814	432.536	DROUDWBFBBGVBX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-130403
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C)CC(C)C)CC2)cc(OC)c1O)C	PC-id_42328587	432.536	ATEXUYJCPDJNPA-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130404
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C)CC(C)C)CC2)cc(OC)c1O)C	PC-id_42328591	432.536	ATEXUYJCPDJNPA-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130405
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)ccc1OC)CC	PC-id_42246244	432.536	VBBFJSDCANRPDZ-MRXNPFEDSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130406
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCOC)C)CC2)ccc1OC)CC	PC-id_42246245	432.536	VBBFJSDCANRPDZ-INIZCTEOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130407
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)C)CC(C)C)CC2)cc(OC)c1O)C	PC-id_74843631	432.536	ATEXUYJCPDJNPA-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130408
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)ccc1OC)CC	PC-id_74785771	432.536	VBBFJSDCANRPDZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130409
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C(C)C)C)CC2)c(OC)cc(OC)c1)C	PC-id_42481440	432.536	XBCKVYHFAOFRIO-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130410
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C(C)C)C)CC2)c(OC)cc(OC)c1)C	PC-id_42481442	432.536	XBCKVYHFAOFRIO-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130411
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCOC)C)CC2)ccc(OC)c1C)C	PC-id_42345121	432.536	MXMDVRTZFCHVTK-INIZCTEOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130412
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)ccc(OC)c1C)C	PC-id_42345124	432.536	MXMDVRTZFCHVTK-MRXNPFEDSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130413
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COC)C(C)C)CC2)cc(OC)cc1)C	PC-id_42236647	432.536	JUKAJYSDMQBOQM-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130414
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COC)C(C)C)CC2)cc(OC)cc1)C	PC-id_42236649	432.536	JUKAJYSDMQBOQM-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130415
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)C(C)C)C)CC2)c(OC)cc(OC)c1)C	PC-id_74807179	432.536	XBCKVYHFAOFRIO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130416
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)ccc(OC)c1C)C	PC-id_74844964	432.536	MXMDVRTZFCHVTK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130417
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)COC)C(C)C)CC2)cc(OC)cc1)C	PC-id_74784593	432.536	JUKAJYSDMQBOQM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130418
O1CC(CC1)C(=O)NCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1	PC-id_74785996	432.538	NHHBVLYHMUBVMY-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-130419
O1C[C@@H](CC1)C(=O)NCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1	PC-id_42247756	432.538	NHHBVLYHMUBVMY-JOCHJYFZSA-O	00000010100000110101100000000010000000000000000000000000	31-01-130420
O1C[C@H](CC1)C(=O)NCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1	PC-id_42247757	432.538	NHHBVLYHMUBVMY-QFIPXVFZSA-O	00000010100000110101100000000010000000000000000000000000	31-01-130421
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(Oc2ccccc2)ccc1)C)C1CC1	PC-id_74785963	432.538	QHFDSGIEBYSPAJ-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-130422
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(Oc2ccccc2)ccc1)C)C1CC1	PC-id_42247551	432.538	QHFDSGIEBYSPAJ-GOSISDBHSA-O	00100000100000110101000000000010000000000000000000000000	31-01-130423
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(Oc2ccccc2)ccc1)C)C1CC1	PC-id_42247553	432.538	QHFDSGIEBYSPAJ-SFHVURJKSA-O	00100000100000110101000000000010000000000000000000000000	31-01-130424
s1c2CCCCCc2nc1NC(=O)c1ccc(OCc2nc3n(c2)cccc3C)cc1	PC-id_16613537	432.538	ATQCELAKVZRAOI-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-130425
s1c2CCCCCCc2cc1C(=O)Nc1cc(Cn2nc3n(c2=O)cccc3)ccc1	PC-id_75878583	432.538	VOPLYQAXXBMBIW-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-130426
n12CCN(CCc1nnc2CCNC(=O)c1cccnc1)Cc1cc2c(cccc2)s1	ZINC22_19838964,EMOLS-id_232711416,MCULE-1354103591,PC-id_28392767	432.541	YRKFHDSNRRFTNO-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-130427
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)[O-])C3)sc2c1CCCCCCC2	PC-id_27527141,GD-id_ZINC17098568	432.553	VRBIPJVKMDFXNW-BODMPHMZSA-M	00000010100010000100000000000110000000000000000000000000	31-01-130428
s1c(NC(=O)C2C3CC(C2C(=O)[O-])CC3)c(c2c1CCCCCCC2)C(=O)OCC	PC-id_74534381	432.553	VRBIPJVKMDFXNW-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-130429
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCCC2)C(=O)OCC	PC-id_27527139	432.553	VRBIPJVKMDFXNW-NONVJHHQSA-M	00000010100010000100000000000110000000000000000000000000	31-01-130430
c12-c(c(cc1/C=C/c1c3-c(cc1)ccccc3)/C=C/c1c3-c(cc1)ccccc3)ccccc2	PC-id_11407830	432.554	MRCWALYANFKTEN-DQPVQCHKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-130431
c12-c(c(cc1C=Cc1c3-c(cc1)ccccc3)C=Cc1c3-c(cc1)ccccc3)ccccc2	PC-id_71376492	432.554	MRCWALYANFKTEN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-130432
c1ccc(cc1)C(=C(c1ccc2-c1ccccc2)c1ccc2-c1ccccc2)c1ccccc1	PC-id_141760651	432.554	NSFUVVSVLVEVHP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130433
c1(NC(=S)Nc2ccc3c(OCO3)c2)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-2561569394,EMOLS-id_2468992,CoCoCo_989768,ZINC22_1118017,TIMTEC265721,PC-id_1295288	432.556	KLZWBIPCHNRYJA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-130434
c1(NC(=S)NC(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_2378722,STOCK2S-75828,ZINC22_2316616,PC-id_1933206,CoCoCo_715678,MCULE-7392481042	432.556	DLCAZTSFHCCQNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130435
C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1sc2c(c1C(=O)N)CCC2	PC-id_29628428,CoCoCo_4173788,ZINC22_21602991	432.556	LMGFWSIOLOCJJQ-LLVKDONJSA-N	00000010100000000100000010000010000000000000000000000000	31-01-130436
C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1sc2c(c1C(=O)N)CCC2	ZINC22_21602993,CoCoCo_4173789,PC-id_29628430	432.556	LMGFWSIOLOCJJQ-NSHDSACASA-N	00000010100000000100000010000010000000000000000000000000	31-01-130437
CCOC(=O)c1c(NC(=O)C(=S)Nc2ccccc2OC)sc2c1CCCCC2	PC-id_17388956,MCULE-3103781000	432.556	HAAQVMGBIGLNEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130438
COc1ccccc1N1CCN(CC1)Cc1cc(c2-c1ccccc2)C#Cc1ccccc1	BindingDB_PC-id_71459759,PC-id_71459759	432.556	KMVWYPYWHLOVLW-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-130439
COc1ccc(cc1)S(=O)(=O)CCCC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_5624460,PC-id_18585873,MCULE-4051380727,CoCoCo_5189737	432.556	OVCNZQNRWUZUKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130440
O=Cc1ccc(cc1)N=Nc1ccc(cc1)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102481829	432.556	FFKAYGLLIRYNKL-ARALGNHZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130441
O=C(C(OC(=O)c1cc2c(s1)CCCCC2)C)Nc1sc2c(c1C(=O)N)CCC2	PC-id_24496541,MCULE-2033771287,EMOLS-id_43973323	432.556	LMGFWSIOLOCJJQ-UHFFFAOYSA-N	00000010100000000100000010000010000000000000000000000000	31-01-130442
s1c2c(CCCC2)c(c1NC(=O)COC(=O)c1sc2CCCCCc2c1)C(=O)N	PC-id_16509409	432.556	RVCDSKZMHCLZPM-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-130443
s1c2c(CCCCC2)c(c1Nc1sc2c(n1)c(OC)cc(OC)c2)C(=O)OCC	PC-id_43968683	432.556	PEFWEOJOZCCFRD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-130444
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(SCC)cc1)C(=O)NC(=O)OC	PC-id_41044473	432.556	NTYPBDHVUFKHHC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130445
s1c2c(CCCCC2)c(c1NC(=O)c1cc(SCC)ccc1)C(=O)NC(=O)OC	PC-id_41028612	432.556	AXOZNQCVIZFJSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130446
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(SC)cc1)C(=O)NC(=O)OC	PC-id_41126487	432.556	ZBOAYOZNUHMCNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130448
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C)ccc1)C(=O)OC	PC-id_18908744	432.556	DOVPGZJBMMUGME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130449
s1c2c(CCCCC2)c(c1NC(=O)CSCc1ccccc1)C(=O)NC(=O)OC	PC-id_41576742	432.556	CXXDZEDISZJCPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130450
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)CC(=O)O)C(=O)OCC	PC-id_19649136	432.556	ZIPWKIAQEANFDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130451
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)OCC)C(=O)OC	PC-id_19687824	432.556	BWUCPONFQNCNSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130452
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)OC)C)C(=O)OC	PC-id_20412753	432.556	AJCYWCXPUYDGTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130453
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OCC)C(=O)OC	PC-id_20413850	432.556	YZUWEOLIXXCULH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130454
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cccc1)C(=O)OCC)C(=O)OC	PC-id_20415526	432.556	GXQOBHLBPRYHFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130455
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)O)C)C(=O)OCC	PC-id_19649003	432.556	LCYIEEGGJLMNJJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130456
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)OC)C(=O)OCC	PC-id_20413682	432.556	ZEYNQPBPBSQQJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130457
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OC)C(=O)OCC	PC-id_20413827	432.556	MIKPSJADGLZCNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130458
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cccc1)C(=O)OC)C(=O)OCC	PC-id_20415447	432.556	RFRXPQOUZGWXRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130459
s1c2c(CCCCC2)c(c1NC(=S)NC(c1cc2OCOc2cc1)C)C(=O)OC	PC-id_20408569	432.556	XXIZVSSYPCABJY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-130460
s1c2c(CCCCC2)c(c1NC(=S)NCc1cc2OCOc2cc1)C(=O)OCC	PC-id_19649457	432.556	ATZZRYISHVNANA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-130461
s1c2c(CCCCC2)c(c1NC(=S)NCc1ccc(cc1)C(=O)O)C(=O)OCC	PC-id_19649072	432.556	RHNBYFZWMVRIDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130462
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)CC(=O)O)C(=O)OC	PC-id_19649129	432.556	CUBVZACAERKXJX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130463
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)O)C)C(=O)OC	PC-id_19648996	432.556	MDLYIFVDXSULHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130464
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)OC)C(=O)OC	PC-id_20413675	432.556	UMHKAQRIPORTIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130465
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OC)C(=O)OC	PC-id_20413820	432.556	NIFDVBCGVPEYKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130466
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cccc1)C(=O)OC)C(=O)OC	PC-id_20415440	432.556	FLKHQXQFBIIWPG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130467
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)O)C(=O)OCC	PC-id_20413749	432.556	CIRSEPJLZJSNKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130469
s1c2c(CCCCCC2)c(c1NC(=S)NCc1cc2OCOc2cc1)C(=O)OC	PC-id_19649451	432.556	QZGROFUEKNPUEV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-130470
s1c2c(CCCCCC2)c(c1NC(=S)NCc1ccc(cc1)C(=O)O)C(=O)OC	PC-id_19649065	432.556	MMXLBUVJXSGZEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130471
CC(C)c1ccc2-c(c(cc2CCCC=NNC(=S)Nc2ccccc2)C(=O)[O-])cc1	PC-id_91934747	432.558	DFYBUEQWLPDVMB-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-130472
CCC(c1c(=O)[nH]c2-c1ccccc2)N(c1cc(ccc1C)C(=O)N1CCN(CC1)C)C	PC-id_144080667	432.558	IBTROHQGFGANBT-UHFFFAOYSA-N	00000010100010110111000000000010000000000000000000000000	31-01-130473
CC(C)C[C@H]1COCc2cn(CC[C@@H](C(=O)N1)Cc1ccc(cc1)c1ccccc1)nn2	PC-id_134828875	432.558	XNXRHFLGIZJOEC-RPWUZVMVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130474
CC(C)C[C@H]1COCc2cn(CC[C@H](C(=O)N1)Cc1ccc(cc1)c1ccccc1)nn2	PC-id_134828885	432.558	XNXRHFLGIZJOEC-ZEQRLZLVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130475
CC(C)C[C@@H]1COCc2cn(CC[C@H](C(=O)N1)Cc1ccc(cc1)c1ccccc1)nn2	PC-id_134828889	432.558	XNXRHFLGIZJOEC-BJKOFHAPSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130476
O1C[C@H](NC(=O)[C@H](CCn2nnc(C1)c2)Cc1ccc(cc1)c1ccccc1)CC(C)C	PC-id_71760693	432.558	XNXRHFLGIZJOEC-DNQXCXABSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130477
O=C1N(CCCc2c1c(C)c([nH]2)/C=C/1C(=O)Nc2c1c(C)ccc2)CCN1CCCCC1	SCHEMBL3135101,PC-id_25116295	432.558	HFASISNYUDIGFU-MNDPQUGUSA-N	00000010100010100100000000001010000000000000000000000000	31-01-130478
O=C1N(CCN2CCCCC2)CCCc2[nH]c(c(c12)C)C=C1c2c(NC1=O)cccc2C	PC-id_68524451	432.558	HFASISNYUDIGFU-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-130479
S=C(Nc1ccccc1)N/N=C/CCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	BindingDB_PC-id_91934747	432.558	DFYBUEQWLPDVMB-CVKSISIWSA-M	00000010100000110110000000000010000000000000000000000000	31-01-130480
N(C(c1c2-c(nc1NCC)ccccc2)c1ccccc1)(CC)c1nc2-c(c1)ccccc2	PC-id_11796996	432.559	WVGJAOPUTGHWDB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130481
C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(S(=O)(=O)N)cc1	CoCoCo_3590924,ZINC22_57355146,PC-id_41048122	432.56	IEDRLTLGDZPALK-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130482
C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(S(=O)(=O)N)cc1	ZINC22_57355143,CoCoCo_3590923,PC-id_41048119	432.56	IEDRLTLGDZPALK-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130483
CCN(Cc1c(C)nn(CC)c1C)C(=O)CC1CCc2nn(CCOC)c(=O)n2CC1	EMOLS-id_207877418,MCULE-6106534363	432.56	KNQYIWZJIRYVMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130484
N#Cc1c(NC(=O)CNC(c2ccc(cc2)S(=O)(=O)N)C)sc2c1CCCCC2	PC-id_17553108,EMOLS-id_11960240,MCULE-3290338236	432.56	IEDRLTLGDZPALK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130485
s1c2CCCCCCc2nc1NC(=O)c1sc2nc(nc(OC)c2c1C)COC	PC-id_56021342	432.56	OOPQFTWPVHLGIF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-130486
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3ccc(cc3C)C)CCn12	EMOLS-id_20520209,PC-id_45166439,MCULE-8528903164	432.561	JXEOTBPZPSZBJN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130487
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3ccc(cc3)CC)CCn12	MCULE-9540052612,PC-id_45182045,EMOLS-id_20450321	432.561	KIJDPPWAZCKQKT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130488
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3cc(C)ccc3C)CCn12	MCULE-9109840272,PC-id_45206754,EMOLS-id_20558097,ChEMBL-DNDi_CHEMBL40237917	432.561	JGKJTVDNHIBIOP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130489
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc(cc3)CC(C)C)CCn12	MCULE-3841527093,PC-id_45185847,EMOLS-id_20466633	432.561	JHAJQWVRFWOSST-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130490
Cc1ccc(C)c(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1	CoCoCo_1355686,CoCoCo_1355685,ZINC22_20999023	432.561	JGKJTVDNHIBIOP-HSZRJFAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130491
Cc1ccc(C)c(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1	CoCoCo_1355687,CoCoCo_1355688,ZINC22_20999025	432.561	JGKJTVDNHIBIOP-QHCPKHFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130492
Cc1cc(C)c(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1C	PC-id_29253152,ChEMBL-DNDi_CHEMBL37176227,CoCoCo_1335502,EMOLS-id_20544473,ZINC22_20991917,MCULE-5589487180,CoCoCo_1335501	432.561	FVXHUJMIJJSWAH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130493
Cc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(C)c1	ZINC22_20782855	432.561	JXEOTBPZPSZBJN-HSZRJFAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130494
Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(C)c1	ZINC22_20782858	432.561	JXEOTBPZPSZBJN-QHCPKHFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130495
CCc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1	CoCoCo_1200770,CoCoCo_1200771,ZINC22_14881748	432.561	KIJDPPWAZCKQKT-HSZRJFAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130496
CCc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1	CoCoCo_1200772,CoCoCo_1200773,ZINC22_14881747	432.561	KIJDPPWAZCKQKT-QHCPKHFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130497
CC(C)c1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1	ChEMBL-DNDi_CHEMBL16600595,EMOLS-id_20434735,CoCoCo_1179176,MCULE-2803316290,ZINC22_19837914,PC-id_28391511,CoCoCo_1179175	432.561	IHTGTMUAANJWKQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130498
CC(C)Cc1ccc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1	ZINC22_20600817,PC-id_29087981,CoCoCo_1272202,CoCoCo_1272201,EMOLS-id_20500605,MCULE-2704400785	432.561	UCSRESDSMBLWFB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130499
CC(C)Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)cc1	CoCoCo_1223460,CoCoCo_1223461,ZINC22_11783625	432.561	JHAJQWVRFWOSST-IBGZPJMESA-N	00000000100000111101000000000010000000000000000000000000	31-01-130500
CC(C)Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)cc1	ZINC22_11783624,CoCoCo_1223458,CoCoCo_1223459	432.561	JHAJQWVRFWOSST-LJQANCHMSA-N	00000000100000111101000000000010000000000000000000000000	31-01-130501
CN=C(NCc1ccc(cc1Oc1ccccc1)C)NCCc1nnc2n1CCCCC2	PC-id_109608466	432.561	BNFDIIDIKDPBDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130502
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(n2c(ccc2C)C)cc1	PC-id_43040485	432.561	VDXNRIGPYUYKQN-UHFFFAOYSA-N	00000000110010110101100000000010000000000000000000000000	31-01-130503
CCCN(Cc1nnc(c2cccs2)o1)C(=O)CSc1nnc2n1CCCCC2	MCULE-5045268806,PC-id_17473296,ZINC22_14227786,EMOLS-id_13550121,CoCoCo_4054331	432.563	ZUIQZGJQRFHWEB-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-130504
C[C@@H](Sc1nnc(CCC(=O)N)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4183274,ZINC22_9216822,PC-id_40971972	432.563	KIPKREIJVQRVSO-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130505
C[C@H](Sc1nnc(CCC(=O)N)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9216821,CoCoCo_4183273,PC-id_40971971	432.563	KIPKREIJVQRVSO-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-130506
C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4302196,PC-id_41167010,ZINC22_9665006	432.563	GZTXSLPHCCZARY-STQMWFEESA-N	00000010100000000101000000000010000000000000000000000000	31-01-130507
C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41167013,ZINC22_9665014,CoCoCo_4302198	432.563	GZTXSLPHCCZARY-OLZOCXBDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-130508
C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41167020,CoCoCo_4302195,ZINC22_9665027	432.563	GZTXSLPHCCZARY-CHWSQXEVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-130509
C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9665023,PC-id_41167018,CoCoCo_4302197	432.563	GZTXSLPHCCZARY-QWHCGFSZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-130510
N#Cc1c(NC(=O)C(Sc2nnc(n2C)CCC(=O)N)C)sc2c1CCCCC2	PC-id_16381532,EMOLS-id_43974517,MCULE-7573045449	432.563	KIPKREIJVQRVSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130511
N#Cc1c(NC(=O)C(Sc2nnnn2CC2CCCO2)C)sc2c1CCCCC2	MCULE-4212930128,EMOLS-id_11774319,PC-id_16334720	432.563	GZTXSLPHCCZARY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-130512
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(OC)cc(cc1)CO	PC-id_30377244	432.576	HOUAMCIUIWLMEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130513
c1(c2CCCCCc2sc1NC(=O)c1ccccc1C)C(=O)NC(C)c1ccccc1	TIMTEC36352,MCULE-5208454784,PC-id_4545302,SPECS-id_AG-667/13587054,EMOLS-id_8221317	432.578	JIFWUKDCMDRKAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130514
c1(NC(=O)CC(c2ccccc2)c2ccccc2)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_2368558,CoCoCo_683426,MCULE-9462276096,ZINC22_2922212,PC-id_2259508,TIMTEC211694	432.578	IECLWIDDUPJUAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130515
c1(sc2c(CCCCC2)n1)NC(=O)C(=Cc1ccc(cc1)OC(C)C)c1ccccc1	MCULE-5650973434	432.578	VAHJBIDJUPVRIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130516
Cc1cc(c(cc1)C)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1ccccc1O	PC-id_135813567	432.578	XPAQQPWGSGLLKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130517
Cc1cc(c(cc1)C)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1ccc(cc1)O	PC-id_135840914	432.578	FXLGHFSYPRDWFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130518
Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H](C)c1ccccc1)CCCCC2	PC-id_40734007,ZINC22_8445630,CoCoCo_1731208	432.578	JIFWUKDCMDRKAE-SFHVURJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130519
Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H](C)c1ccccc1)CCCCC2	ZINC22_8445631,CoCoCo_1731207,PC-id_40734008	432.578	JIFWUKDCMDRKAE-GOSISDBHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130520
Cc1cc(cc(c1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1ccc(cc1)O)C	PC-id_135582142	432.578	XLCJSOQVLSPRBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130521
Cc1c(cc(cc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1ccc(cc1)O)C	PC-id_135676827	432.578	ASQSHJFWNMFCBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130522
Cc1c(c(ccc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1ccccc1O)C	PC-id_135700261	432.578	POMKEPFLQLZFCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130523
Cc1c(cc(cc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1ccccc1O)C	PC-id_135718831	432.578	MDNZIXJHAFALMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130524
Cc1cc(cc(c1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1ccccc1O)C	PC-id_135768928	432.578	VFQWEZDPNPXCFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130525
Cc1c(c(ccc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1ccc(cc1)O)C	PC-id_135849895	432.578	KHNTXYQSHMVVHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130526
CCCCc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	SCHEMBL6993583,PC-id_21467162	432.578	LXSRAXRXQLDXRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130527
CC(C)Oc1ccc(/C=C(/C(=O)Nc2nc3CCCCCc3s2)c2ccccc2)cc1	EMOLS-id_334605940	432.578	VAHJBIDJUPVRIJ-OQKWZONESA-N	00000000100000110101000000000010000000000000000000000000	31-01-130528
CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408963509	432.578	FGPRNBDUEJCSCE-OVVQPSECSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130529
CCOc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1	ZINC22_408968962	432.578	DRYKXFLWYKYKLN-OVVQPSECSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130530
CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408969675	432.578	RUKLPJSTRGLKIK-OVVQPSECSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130531
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c(C)c1	ZINC22_408974355	432.578	YFPADCGDWHIOHZ-WPWMEQJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130532
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1C	ZINC22_408970609	432.578	JEMQKSOIIZOVOY-WPWMEQJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130533
O=C(c1ccc(cc1)C(C)(C)C)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_70067533,SCHEMBL7365160	432.578	QLQYOCMMGYUELA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130534
s1c2c(CCCCCC2)c(c1N/C=C
/C=CC(=O)C=C1)C(=O)Nc1cc(cc(c1)C)C	PC-id_23988250	432.578	CJCQUZLIEIBRTB-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-130535
s1c2c(CCCCCC2)c(c1N/C=C
/C=CC(=O)C=C1)C(=O)Nc1c(c(ccc1)C)C	PC-id_24070049	432.578	SJALYQJRNJZMAS-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-130536
s1c2c(CCCCCC2)c(c1N/C=C
/C=CC(=O)C=C1)C(=O)Nc1cc(c(cc1)C)C	PC-id_24075499	432.578	BSQQEPXQOOBEMJ-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-130537
s1c2c(CCCCCC2)c(c1N/C=C
/C=CC(=O)C=C1)C(=O)Nc1c(ccc(c1)C)C	PC-id_24102986	432.578	WCQAJPABMWVQPN-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-130538
s1c2c(CCCCCC2)c(c1N=Cc1cc(O)ccc1)C(=O)Nc1c(c(ccc1)C)C	PC-id_23819723	432.578	OAIWCOPMLQYMDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130539
s1c2c(CCCCCC2)c(c1N=Cc1cc(O)ccc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_24043321	432.578	XKTGLSPZFWMUAB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130540
s1c2c(CCCCCC2)c(c1N=Cc1cc(O)ccc1)C(=O)Nc1cc(c(cc1)C)C	PC-id_24074145	432.578	QXSQPATZHFWQAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130541
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1ccc(N)cc1)CC)C(=O)OCC	PC-id_22779744	432.599	ZISPRIDHDAEVKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130598
s1c2c(CCCCCC2)c(c1N=Cc1cc(O)ccc1)C(=O)Nc1cc(cc(c1)C)C	PC-id_24101028	432.578	FLURMNYOYGVCDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130542
s1c2c(CCCCCC2)c(c1N/C=C
/C(=O)C=CC=C1)C(=O)Nc1cc(c(cc1)C)C	PC-id_23767922	432.578	IZPOOPHOXOEYJA-KNTRCKAVSA-N	00000000100011110100000000000010000000000000000000000000	31-01-130543
s1c2c(CCCCCC2)c(c1N/C=C
/C(=O)C=CC=C1)C(=O)Nc1c(c(ccc1)C)C	PC-id_23907729	432.578	LEXWPAHOBPDDEZ-KNTRCKAVSA-N	00000000100011110100000000000010000000000000000000000000	31-01-130544
s1c2c(CCCCCC2)c(c1N/C=C
/C(=O)C=CC=C1)C(=O)Nc1cc(cc(c1)C)C	PC-id_23910530	432.578	TVWSTBNYZIQRDV-KNTRCKAVSA-N	00000000100011110100000000000010000000000000000000000000	31-01-130545
s1c2c(CCCCCC2)c(c1N/C=C
/C(=O)C=CC=C1)C(=O)Nc1c(ccc(c1)C)C	PC-id_23962298	432.578	QUDSYNKMAYWELV-KNTRCKAVSA-N	00000000100011110100000000000010000000000000000000000000	31-01-130546
s1c2c(CCCCCC2)c(c1NC=C1C(=O)C=CC=C1)C(=O)Nc1c(ccc(c1)C)C	PC-id_74097757	432.578	QUDSYNKMAYWELV-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-130547
s1c2c(CCCCCC2)c(c1NC=C1C(=O)C=CC=C1)C(=O)Nc1cc(c(cc1)C)C	PC-id_74108761	432.578	IZPOOPHOXOEYJA-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-130548
s1c2c(CCCCCC2)c(c1NC=C1C(=O)C=CC=C1)C(=O)Nc1c(c(ccc1)C)C	PC-id_74194428	432.578	LEXWPAHOBPDDEZ-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-130549
s1c2c(CCCCCC2)c(c1NC=C1C(=O)C=CC=C1)C(=O)Nc1cc(cc(c1)C)C	PC-id_74194640	432.578	TVWSTBNYZIQRDV-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-130550
CC(C)Cc1ccc(cc1)S(=O)(=O)N(C)C1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-7938257296,EMOLS-id_97041921	432.579	IRZHLNYCYIPQNY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-130551
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc3c(s2)CCCCC3)c(=O)[nH]c1=O	EMOLS-id_18862380,MCULE-9014990280,CHEMBL1552592,PC-id_18283444,ZINC22_14670240,CoCoCo_3304676	432.579	ZUBPGTJUYMCBEB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-130552
CCCCN(C(=O)c1cc2c(s1)CCCCC2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	CoCoCo_3317024,EMOLS-id_18857592,MCULE-3826348831,PC-id_24686788,ZINC22_14720923,ChEMBL-DNDi_CHEMBL1707689	432.579	WAIBVSVOXWONIZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-130553
CC(C)CN(C(=O)c1cc2c(s1)CCCCC2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	MCULE-8529723076,ZINC22_21082754,PC-id_29309405,CoCoCo_3317881,EMOLS-id_18879365	432.579	YEWREBHLKAISEH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-130554
CS(=O)(=O)c1ccc(c2csc(NC(=O)c3cc4c(s3)CCCCC4)n2)cc1	PC-id_16377188,MCULE-5444606244,EMOLS-id_11834777,ZINC22_9460188,CoCoCo_4216863	432.579	GNBHLYNDJMUVQC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130555
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)OC(C)(C)C)C#N	PC-id_36096700	432.579	SZGBAKYDOINATC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130556
s1c2c(CCCCC2)c(c1NC(=O)CN1CCCN(CC1)C(=O)OCC(C)C)C#N	PC-id_56360360	432.579	DEJSWKWCBKTPCK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130557
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)OCC(C)C)C)C#N	PC-id_56287474	432.579	LKCYZRIBWFYURZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130558
s1c2c(CCCCC2)c(c1NC(=O)CN(Cc1c(n(nc1)CC)C)C)C(=O)OCC	PC-id_22194194	432.579	UACUUGTYNQNFRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130559
s1c2c(CCCCC2)c(c1NC(=O)CN(Cc1c(n(nc1C)C)C)C)C(=O)OCC	PC-id_22196635	432.579	LPLXJNATGZHPPZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130560
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc2c(n1)cccc2)C(=O)OC	PC-id_19727810	432.579	BEFBFFHAHGGCNE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-130561
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)N1CCCC1	PC-id_52608723	432.579	OJDBHKNRBUJXBW-UHFFFAOYSA-N	00000010100010000100000000000010000000000000000000000000	31-01-130562
s1c2c(CCCCCC2)c(c1NC(=O)CN(Cc1c(n(nc1)CC)C)C)C(=O)OC	PC-id_22194122	432.579	UCYHPZHAIRLIER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130563
s1c2c(CCCCCC2)c(c1NC(=O)CN(Cc1c(n(nc1C)C)C)C)C(=O)OC	PC-id_22196538	432.579	CEJYTUWLFQSDLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130564
O=C(NC(c1n2CC[NH+](CCc2nn1)CCC(C)C)CC(C)C)c1oc(cc1)COC	PC-id_74786053	432.58	XFHRXNGFXJDDEG-UHFFFAOYSA-O	00000000101000000101000000000010000000000000000000000000	31-01-130565
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)CCC(C)C)CC(C)C)c1oc(cc1)COC	PC-id_42248160	432.58	XFHRXNGFXJDDEG-IBGZPJMESA-O	00000000101000000101000000000010000000000000000000000000	31-01-130566
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)CCC(C)C)CC(C)C)c1oc(cc1)COC	PC-id_42248162	432.58	XFHRXNGFXJDDEG-LJQANCHMSA-O	00000000101000000101000000000010000000000000000000000000	31-01-130567
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)CC(C)C)C	PC-id_74493878	432.581	WYVHNOKIWDNRCP-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-130568
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC)C)CCc1ccccc1	PC-id_74799925	432.581	KUVSASPVOWNYHP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130569
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)C)CCc1ccccc1	PC-id_74845244	432.581	SNIQEMCFNDJKCO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130570
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)c1ccc(cc1)C	PC-id_42405779	432.581	YLEUSJNLRWTPIY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130571
O=C(NCCc1n2CC[NH+](CCc2nn1)CC(c1ccccc1)C)c1c(cc(cc1)C)C	PC-id_74494073	432.581	IDVGXIWVSYIIIZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130572
O=C(NCCc1n2CC[NH+](CCc2nn1)C[C@@H](c1ccccc1)C)c1c(cc(cc1)C)C	PC-id_26277867	432.581	IDVGXIWVSYIIIZ-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130573
O=C(NCCc1n2CC[NH+](CCc2nn1)C[C@H](c1ccccc1)C)c1c(cc(cc1)C)C	PC-id_26277869	432.581	IDVGXIWVSYIIIZ-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130574
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)CC(C)C)C	PC-id_26275849	432.581	WYVHNOKIWDNRCP-XMMPIXPASA-O	00000000100000110101100000000010000000000000000000000000	31-01-130575
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)CC(C)C)C	PC-id_26275851	432.581	WYVHNOKIWDNRCP-DEOSSOPVSA-O	00000000100000110101100000000010000000000000000000000000	31-01-130576
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)C)CCc1ccccc1	PC-id_42348294	432.581	SNIQEMCFNDJKCO-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130577
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)C)CCc1ccccc1	PC-id_42348299	432.581	SNIQEMCFNDJKCO-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130578
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC)C)CCc1ccccc1	PC-id_42368769	432.581	KUVSASPVOWNYHP-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130579
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC)C)CCc1ccccc1	PC-id_42368771	432.581	KUVSASPVOWNYHP-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130580
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(CCn12)C(=O)c1ccc(C)s1	EMOLS-id_20628743,PC-id_45223387,MCULE-9273865561,ChEMBL-DNDi_CHEMBL58513320	432.583	IXYWYPXOONETGY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-130581
Cc1cc2c(s1)SCC(=O)N(C2=O)CCCC[NH+]1CCN(CC1)c1ncccn1	GLL_PC-id_19881070	432.583	MEDKRSQOHBWDJZ-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-130582
Cc1ccc(C(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)s1	CoCoCo_1461342,ZINC22_14969444	432.583	IXYWYPXOONETGY-INIZCTEOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-130583
Cc1ccc(C(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)s1	ZINC22_14969440,CoCoCo_1461341	432.583	IXYWYPXOONETGY-MRXNPFEDSA-N	00000000100100000101000000000010000000000000000000000000	31-01-130584
CC(C)S(=O)(=O)NCc1nnc2CCN(C/C=C/c3ccc(cc3)N(C)C)CCn12	EMOLS-id_44855355,ChEMBL-DNDi_CHEMBL99250948,CoCoCo_1646530,ZINC22_12133109,CoCoCo_1646532,PC-id_42423974	432.583	HYYUOYXEROEETL-AATRIKPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130585
CCNC(=NCc1ccc(c(c1)C)S(=O)(=O)C)NCCc1nnc2n1CCCCC2	PC-id_109753933	432.583	VUPVREUGLJTPCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130586
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc(cc1)S(=O)(=O)C	PC-id_111613658	432.583	KMQVULBWJWAPPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130587
CN(c1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2CNS(=O)(=O)C(C)C)C	CoCoCo_1646529,CoCoCo_1646531	432.583	HYYUOYXEROEETL-WAYWQWQTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130588
CN=C(NCc1ccc(c(c1)C)S(=O)(=O)C)NCCCc1nnc2n1CCCCC2	PC-id_109752299	432.583	LLKPFLBCHQAUJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130589
s1c(nc(CN2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)c1)C(C)(C)C	PC-id_78902986	432.583	AMDWODNIWSVYQD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130590
S(=O)(=O)(C(C)C)NCc1nnc2CCN(CC=Cc3ccc(cc3)N(C)C)CCn12	MCULE-9318605920,PC-id_74802121	432.583	HYYUOYXEROEETL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130591
O(CCCCCCCc1c2-c(c(c1)C(=O)OC)cc(C(C)C)ccc2)Cc1ccccc1	PC-id_10071483	432.594	BPQWVIZXMCGYOP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130592
O(CCCCCCCc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2)Cc1ccccc1	PC-id_10410579	432.594	LKEOEQARZMINRI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130593
c1(NC(=S)Nc2ccc(cc2)OCC)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_6800642,MCULE-4884690459,EMOLS-id_4118047,TIMTEC529032,PC-id_3301800,ZINC22_5949217	432.599	WNVGZYSGBOSODH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130594
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)c1	ZINC22_33499226,PC-id_4846703,MCULE-4997452752,EMOLS-id_45714529	432.599	HDILZEAOSXFBFM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130595
O=C(c1cc2c(s1)CCCCCC2)N1CCC(NS(=O)(=O)c2ccccc2)CC1	EMOLS-id_44033960,ZINC22_11163295,MCULE-9318215940,PC-id_41850133,CoCoCo_4524089	432.599	YRHLLAQGSBAOJA-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-130596
O=C(c1cc2c(s1)CCCCCC2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	CoCoCo_3288065,PC-id_27757221,EMOLS-id_24469527,MCULE-9657757633,ZINC22_17846089	432.599	OVYFXQJCDUDFLL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130597
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(N)ccc1)CC)C(=O)OCC	PC-id_18894596	432.599	HIPNEYWTLCBSAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130599
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(OC)cc1)C)C(=O)OCC	PC-id_19675883	432.599	FCGHTHOZCFCZSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130600
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(OCC)cc1)C)C(=O)OC	PC-id_20168558	432.599	CMZKDLRYUKHOAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130601
s1c2c(CCCCC2)c(c1NC(=S)NC(c1cc(OC)ccc1)C)C(=O)OCC	PC-id_19675798	432.599	CQMXCUCTGALEHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130602
s1c2c(CCCCC2)c(c1NC(=S)NCCc1ccc(OC)cc1)C(=O)OCC	PC-id_19649953	432.599	YNLZDLKMJDTTGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130603
s1c2c(CCCCC2)c(c1NC(=S)NCCc1c(OC)cccc1)C(=O)OCC	PC-id_19649727	432.599	KAVMGCZQZRZSDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130604
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1ccc(N)cc1)CC)C(=O)OC	PC-id_22779743	432.599	QWKOQPKWRGYMOK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130605
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1ccc(N)cc1)C)C(=O)OCC	PC-id_22779740	432.599	LJXPOUMVMUPOSX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130606
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(N)ccc1)CC)C(=O)OC	PC-id_18894597	432.599	QIMIKKLKFFLSGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130607
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(N)ccc1)C)C(=O)OCC	PC-id_18894532	432.599	GQTWTLXJMXJXDR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130608
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc(OC)cc1)C)C(=O)OCC	PC-id_19678184	432.599	JKHZPPNEHUPIRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130609
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC)ccc(c1)C)C(=O)OCC	PC-id_20412342	432.599	FDFLPTVQMWZPHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130610
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OCC)cccc1)C(=O)OCC	PC-id_20412199	432.599	XSJBZSISFVWGAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130611
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(OC)cc1)C)C(=O)OC	PC-id_19675876	432.599	RLNPNHJCOVXRRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130612
s1c2c(CCCCCC2)c(c1NC(=S)NCc1ccc(OC)cc1)C(=O)OCC	PC-id_19649528	432.599	KNNUMOMZRMYQAC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130613
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1cc(OC)ccc1)C)C(=O)OC	PC-id_19675791	432.599	CLRSUZPOBPSENY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130614
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(OC)cccc1)C(=O)OCC	PC-id_19649567	432.599	DXJBANZSCPADHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130615
s1c2c(CCCCCC2)c(c1NC(=S)NCCc1ccc(OC)cc1)C(=O)OC	PC-id_19649948	432.599	RXTNMNQGZHFDGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130616
s1c2c(CCCCCC2)c(c1NC(=S)NCCc1c(OC)cccc1)C(=O)OC	PC-id_19649720	432.599	LTCBNANFHNODGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130617
S(=O)(=O)(N1CCC(NC(=O)c2sc3c(CCCCC3)c2)CC1)c1ccc(cc1)C	PC-id_24590497	432.599	PWDWCFWPYDOIJB-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-130618
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1)c1c(cc(cc1)C)C	PC-id_18292010	432.599	LEDJHZSVXCBPFR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130619
S(=O)(=O)(N(CC)CC)c1cc2CCN(c2cc1)C(=O)c1sc2c(CCCCC2)c1	PC-id_55438313	432.599	GINVGVSOXALLLP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-130620
c1(NC(=O)C(c2ccccc2)Sc2ccccc2)sc2c(CCCCCC2)c1C#N	MCULE-5743886241,TIMTEC177655,PC-id_4092790,EMOLS-id_4118053,SPECS-id_AK-968/12571175	432.601	GRYABEUGUGJAEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130621
CCC(c1c(=O)[nH]c2-c1ccccc2)N(c1cc(ccc1C)N1CCN(CC1)C(C)C)C	PC-id_144080582	432.601	XBXSREAGMUGIQT-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-130622
CCNC(=NCc1ccc(cc1CSC)F)NCCCc1nnc2n1CCCCC2	PC-id_109598466	432.601	DKMXKNWWWOBIJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130623
CCNC(=NCCCSc1ccc(cc1)F)NCCCc1nnc2n1CCCCC2	PC-id_111311060	432.601	RTQBSVRJCHNQPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130624
N#Cc1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2	ZINC22_2746033,PC-id_7027396,CoCoCo_6785810	432.601	GRYABEUGUGJAEO-QHCPKHFHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130625
N#Cc1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2	ZINC22_8432274,CoCoCo_6785809,PC-id_9538188	432.601	GRYABEUGUGJAEO-HSZRJFAPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130626
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)CC3CCCCC3)CCn12	PC-id_45174359,EMOLS-id_20416964,MCULE-2898172376	432.603	AFFPSMWMPQKTRS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130627
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)CC1CCCCC1)CC2	CoCoCo_1154671,ZINC22_12157731	432.603	AFFPSMWMPQKTRS-LJQANCHMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130628
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)CC1CCCCC1)CC2	CoCoCo_1154672,ZINC22_12157739	432.603	AFFPSMWMPQKTRS-IBGZPJMESA-N	00000000100010000101000000000010000000000000000000000000	31-01-130629
CCCCOC1=C(CC(=c2c(=N1)n(c(=O)[nH]2)CCCN1CCN(CC1)C(C)C)N)CC	PC-id_91247866	432.603	HGPXBLAMAJMTDF-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-130630
CCCCOC1=C(CC(=N)c2c(N1)n(c(=O)[nH]2)CCCN1CCN(CC1)C(C)C)CC	PC-id_136639523	432.603	WKVXZKAXSUPKAM-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-130631
CCN(CC=Cc1nc(c2n1CCCN(C2)C)C(=O)NC(C(C)(C)C)C(=O)NC)CC	SCHEMBL1176135,PC-id_87208930	432.603	HGJWLTTWXZRCFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130632
CCN(CC=Cc1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC)CC	PC-id_66932465,SCHEMBL1176137	432.603	HGJWLTTWXZRCFO-HXUWFJFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130633
CCN(C/C=C/c1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC)CC	SCHEMBL1176132,PC-id_57635252	432.603	HGJWLTTWXZRCFO-ZAHGZRRWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130634
CCNC(=NCCc1nnc2n1CCCCC2)N1CCC(CC1)OCC1CCCCO1	PC-id_109449475	432.603	BNVVRRAMOPKVRT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130635
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(CC1)OCC1CCCO1	PC-id_112086821	432.603	REVDEIHJRXSEKG-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-130636
CN=C(N1CCC(CC1)OCC1CCCCO1)NCCCc1nnc2n1CCCCC2	PC-id_109447745	432.603	ZVZZWPIFHDYXCF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130637
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCCN1CCCC1	PC-id_66931922,SCHEMBL1174689	432.603	XJXWCBCICRRGBX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-130638
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCCN1CCCC1	SCHEMBL1174687,PC-id_57635349	432.603	XJXWCBCICRRGBX-HXUWFJFHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-130639
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1c(nc(SC)nc1C)C	PC-id_35431568	432.603	IFARQMDKBKUJSX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-130640
S1CCN(C(=O)C2N(CCC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)CC1	PC-id_56542000	432.603	PYNJWVFCRWCHOR-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-130641
S(c1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COC)CC(C)C)CC2)cc1)C	PC-id_26349321	432.603	XZUALWMXSCTHPY-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-130642
S(c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COC)CC(C)C)CC2)cc1)C	PC-id_26349323	432.603	XZUALWMXSCTHPY-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130643
S(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)COC)CC(C)C)CC2)cc1)C	PC-id_74499290	432.603	XZUALWMXSCTHPY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130644
CCCNC(=O)CN1CCC(CC1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112077140	432.606	PQRPKDSBDBRXSC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130645
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)CC(=O)NC(C)C	PC-id_111366651	432.606	AFQHNYPTRAHVRW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130646
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)CC(=O)N(C)C	PC-id_112080545	432.606	RRPCWMKMIOEDHI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130647
O=S1(=O)CCCS(=O)(=O)c2cscc2S(=O)(=O)CCCSCCC1	SCHEMBL12376084,PC-id_68255793	432.619	PASAFEXPMRYDHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130648
CC=C(C)C1=CC(=CCCn2cccc2CCN(C(=O)CN1)CC1CC(=C)C=C([CH+]1)C)C	PC-id_90897446	432.621	FXASHWZKQQKEBC-UHFFFAOYSA-N	00000000100011000111000000000010000000000000000000000000	31-01-130649
CCc1sc2c(c1)C(=O)N(CCS2)CCCC[NH+]1CCN(CC1)c1ncccn1	GLL_PC-id_19881073	432.626	ZAHIXVRWJJSKMU-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-130650
s1c(C(=O)N2CCC([NH+]3CCC(CC3)C(=O)NC(C)C)CC2)cc2c1CCCCC2	PC-id_25280630	432.642	PXERANPHYIPNIT-UHFFFAOYSA-O	00000000100010000100100000000010000000000000000000000000	31-01-130651
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1sc2CCCCc2n1	PC-id_30376991	432.646	IJCOPKNRVPEZEL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-130652
S(c1n(C2CCCC2)c(nn1)CCCNC(=O)c1sc2CCCCCCc2c1)C	PC-id_52481415	432.646	QSDBPPWRYGMWMK-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-130653
s1c2c(CCCCCCCCCC2)c(C(=O)N2CCCCC2)c1NC(=O)CC(C)C	PC-id_23823307	432.662	LIDPBOFOJHICHS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-130654
C1CN(Cc2c(c(nn2C1)C(=O)O)Cl)C(=O)OCCc1cc(cc(c1)Cl)Cl	PC-id_86345715	432.686	QXWXOBQRZZZFQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130655
S1C2C(CCCC2)C(=C1)C(=O)NN=C1CSc2sc(=S)sc2SC1	PC-id_4161040	432.69	JBYFYZVUUOTIEP-UHFFFAOYSA-N	00000011100010000101000000000110000000000000000000000000	31-01-130656
S1SC(CCCCCCC)C(O)c2sc(nn2)C(O)CCCC1CCCC	PC-id_54454344	432.707	WXCZPILXZJYBEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130658
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)c(Cl)cc(Cl)c1	PC-id_16509466	432.749	LXWUJJXTSONXIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130659
O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1ncc(C(F)(F)F)cc1Cl	EMOLS-id_3318740,CoCoCo_2861456,PC-id_2572093,ZINC22_3451847,MCULE-4677341580	432.844	DMOSDEBKDCDUPB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-130660
Clc1c(cc(C2OC(C(O)C(O)C2O)CO)cc1)C(F)c1cc2-c(c1)ccccc2	PC-id_77444961	432.869	IJDUOAMZBQZPIR-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-130661
Clc1c(cc([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc1)C(F)c1cc2-c(c1)ccccc2	PC-id_68264506,SCHEMBL12439571	432.869	IJDUOAMZBQZPIR-ZOBQWYLZSA-N	00000010100010110110100000000010000000000000000000000000	31-01-130662
Clc1c2OCOc2cc(c1)C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_29499337	432.877	MRYBTMSBQMHYGW-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-130663
Clc1ccc(NC(=O)C2CCCN(C2)C(=O)Cn2nc3n(CCCCC3)c2=O)nc1	PC-id_55930635	432.904	GXNLJPKHNDBCGQ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-130664
Clc1ccc(NC(=O)C2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)nc1	PC-id_55924544	432.904	RZCPKCXALBAAEX-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-130665
c1(NC(=O)c2ccc(Cn3cc(cn3)Cl)o2)sc2c(CCCCCC2)c1C(=O)N	BAS-06332353,EMOLS-id_1480250,ZINC22_800733,CoCoCo_348694,MCULE-4699191922,PC-id_1084326	432.924	IRLFXJDJJAICQT-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-130666
Clc1c(CN(CC(=O)Nc2sc3CCCCCc3c2C#N)C)cc([N+](=O)[O-])cc1	PC-id_41774724	432.924	KJOYWFMULLTIDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130667
Clc1n(nc(c1/C=C/C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N)C)C	PC-id_42329652	432.924	UZSRYGOLIXKQRS-CMDGGOBGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130668
Clc1n(nc(c1C=CC(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N)C)C	PC-id_74843706	432.924	UZSRYGOLIXKQRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130669
Clc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(Sc2n(ccn2)C)cc1	PC-id_56343232	432.927	CYPNAZOSGZDNLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130670
ClC(Cl)(Cl)C(=O)c1c(c(c2-c1ccccc2)C(=O)C(Cl)(Cl)Cl)C	PC-id_86252820	432.941	CJRRYVTVBJCNTL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-130671
Clc1cc(n2c(c(cc2C)C(=O)CSc2n3CCCCCc3nn2)C)ccc1F	PC-id_24371247	432.942	IONBRWLMJQZVDP-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-130672
Clc1c2-c(c(/N=N/c3ccc(C(c4ccccc4)c4ccccc4)cc3)c1)ccccc2	PC-id_10717623	432.943	OGESEFLUHBLCNZ-QNEJGDQOSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130673
CCCOc1c(Cl)cc(cc1OC)C=CC(=O)NC(c1nnc2n1CCCCC2)C	EMOLS-id_26238640,MCULE-5634933185,PC-id_72054786	432.944	GDKQCIHWGBDWOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130674
CCCOc1c(Cl)cc(cc1OC)/C=C/C(=O)NCCc1nnc2n1CCCCC2	PC-id_98687715	432.944	XKKSATMWKYCZTB-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130675
CCCOc1c(Cl)cc(cc1OC)/C=CC(=O)N[C@@H](c1nnc2n1CCCCC2)C	CoCoCo_4691942	432.944	GDKQCIHWGBDWOH-FJVVXJACSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130676
CCCOc1c(Cl)cc(cc1OC)/C=CC(=O)N[C@H](c1nnc2n1CCCCC2)C	CoCoCo_4691943	432.944	GDKQCIHWGBDWOH-KVPUOBJLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130677
CCCOc1c(Cl)cc(/C=C/C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1OC	CoCoCo_4691944,ZINC22_13006083,PC-id_25664908	432.944	GDKQCIHWGBDWOH-FEAKQIBJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130678
CCCOc1c(Cl)cc(/C=C/C(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1OC	PC-id_25664909,ZINC22_13006084,CoCoCo_4691941	432.944	GDKQCIHWGBDWOH-BOLDSZDNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130679
Clc1c(OCCC)c(OC)cc(/C=C/C(=O)NC(c2n3CCCCCc3nn2)C)c1	PC-id_42884161	432.944	GDKQCIHWGBDWOH-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130680
Clc1c(OCCC)c(OC)cc(C=CC(=O)NCCc2n3CCCCCc3nn2)c1	PC-id_55554202	432.944	XKKSATMWKYCZTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130681
Clc1c(c2oc(CN3CCn4c(nnc4CCc4ccccc4)CC3)cc2)cccc1	PC-id_30852113	432.945	JPBVEKJIBDMRMK-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-130682
Clc1cccc(c1)c1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)o1	MCULE-5169746778,PC-id_29151798,ZINC22_20780231,EMOLS-id_20515479	432.945	LSJHTESIOUWSDW-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-130683
Clc1c(C[NH+]2CCn3c(nnc3CNS(=O)(=O)c3ccccc3)CC2)cccc1	PC-id_42321806	432.947	YKITYJORWBFQQY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-130684
Clc1c(C(=O)NCC(C)C)ccc(NC(=O)NCCc2n3CCCCCc3nn2)c1	PC-id_60488965	432.947	RVOBELRUXPTRLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130685
O=C(C1CCCCc2n1c(=O)n(n2)C)NCCN1CCN(CC1)c1cccc(c1)Cl	EMOLS-id_207869466	432.947	JLZSKUPSRXMEMO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-130686
Clc1ccc(c2[nH]ncc2CN2CCn3c(nnc3CCc3ccccc3)CC2)cc1	CoCoCo_1364846,CoCoCo_1364847,PC-id_31015891,CoCoCo_1364845,CoCoCo_1364844	432.948	HDTOKUUYXSEJKE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130687
Clc1ccc(n2cccc2CN2CCc3nnc(CCc4ccccc4)n3CC2)nc1	EMOLS-id_20734601,MCULE-5132192656,PC-id_42422575,CoCoCo_1623647,ZINC22_12130266,CoCoCo_1623646	432.948	RHQOSNQWCNSOOY-UHFFFAOYSA-N	00000000110000111101100000000010000000000000000000000000	31-01-130688
Cc1ccc(S(O)(O)N(Cc2nnc3n2CCCCC3)c2ccc(Cl)cc2)cc1	ZINC22_102486432,CoCoCo_6658416,PC-id_45133441	432.967	UQXWIRKUJWSWNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130689
Clc1cc2[nH]c(nc2cc1)[C@@H](NC(=O)c1sc2c(C(CN(CC2)C)C)c1)COC	SCHEMBL4788316,PC-id_25117939	432.967	YSQAQIGCYXWUFS-TYJDENFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-130690
Clc1cc2[nH]c(nc2cc1)[C@@H](NC(=O)c1sc2C(CN(CCc2c1)C)C)COC	PC-id_25118287,SCHEMBL4788825	432.967	DRCVZIDTUYIUSL-TYJDENFWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-130691
Clc1ccc(N2CCC(CC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)nc1	PC-id_55687880	432.967	GSKVSMHZOCREHT-UHFFFAOYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-130692
Clc1c(OC2CCN(Cc3occc23)C)ccc(C(=O)N(CCCC)CCCC)c1	PC-id_68421355	432.983	UDLRLXZPRKBKBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130693
Clc1c(sc2c1ccc(c2)C)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)N	PC-id_19685742	432.987	RQLXQYNRKCIQGO-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-130694
CCC(Oc1ccccc1Cl)CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112084391	432.99	ZTSSIEKVXHTVMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130695
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccc(cc1Cl)OC	PC-id_109787708	432.99	MTUDSQYCRDAKJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130696
CCNC(=NCCCc1nnc2n1CCCCC2)N(CCOc1ccc(cc1)Cl)C	PC-id_111308266	432.99	QMFLNQFFVQAEAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130697
CCNC(=NCCCc1nnc2n1CCCCC2)N(CCOc1cccc(c1)Cl)C	PC-id_111419187	432.99	XXQDSTLGWSVCOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130698
CCNC(=NCC(Oc1ccc(cc1)Cl)C)NCCCc1nnc2n1CCCCC2	PC-id_111680432	432.99	KCXYMRCXSGKDRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130699
Clc1c(C[NH+]2CCn3c(nnc3CCNC(=O)C3C[NH+](CCC3)C)CC2)cccc1	PC-id_74804029	432.99	YZLVZRORFDZNKY-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-130700
Clc1c(C[NH+]2CCn3c(nnc3CCNC(=O)[C@H]3C[NH+](CCC3)C)CC2)cccc1	PC-id_42449072	432.99	YZLVZRORFDZNKY-GOSISDBHSA-P	00000000100010110101000000000010000000000000000000000000	31-01-130701
Clc1c(C[NH+]2CCn3c(nnc3CCNC(=O)[C@@H]3C[NH+](CCC3)C)CC2)cccc1	PC-id_42449073	432.99	YZLVZRORFDZNKY-SFHVURJKSA-P	00000000100010110101000000000010000000000000000000000000	31-01-130702
c1(C(=O)N(CCC)CCC)c2CCCCCc2sc1NC(=O)c1ccccc1Cl	PC-id_2251885,EMOLS-id_2085818,ZINC22_2904506,CoCoCo_665682,MCULE-3004177913	433.007	CITDIWNUSXEOKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130703
Clc1ccc(c(c1)N1CC[NH+](CC1)CCNC(=O)c1csc2c1CCCCC2)C	GD-id_ZINC09833715	433.03	WGOPCGUBDDNCQY-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-130704
Clc1ccc(cc1)CCN1CCC(CC1)C(=N)N1CCSc2c(C1=N)scc2	PC-id_141859739	433.033	ZBNGECAYXKQYHP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130705
C1CN(CC2=CC(=NN2C1)C=CCl)C(=O)OCC3=CC(=CC(=C3)Cl)C(F)(F)F	PC-id_149725740	433.057	AYCQGDFZHNAVOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130706
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OC[C@@H](NS2(=O)=O)C=C	PC-id_154682180	433.072	FDZGEJCPSPWSPF-VIFPVBQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-130707
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OC[C@H](NS2(=O)=O)C=C	PC-id_154682205	433.072	FDZGEJCPSPWSPF-SECBINFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130708
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OCC(NS2(=O)=O)C=C	PC-id_155062066	433.072	FDZGEJCPSPWSPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130709
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](CS2(=O)=O)C(C4CC4)O	PC-id_165164748	433.111	TUFOAVRQHFAQPF-FVRDMJKUSA-N	00100000100000110101000000000010000000000000000000000000	31-01-130710
ICCCCCCOc1cc2-c(c1)ccc(Br)cc2	PC-id_21063107	433.122	CCVFKKXAWXHTNW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-130711
CC1=CC(=CC(=C1)Cl)COC(=O)N2CCCN3C(=CC(=N3)CNC4=NCCS4)C2	PC-id_161042557	433.134	UBBLCTMNJVDNAF-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-130712
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=C3CCCCC(=O)C3=C(N2)C	PC-id_153617033	433.167	RFIBRDFTONIULJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130713
CCCSC[C@@H]([C@](C/C/1=C/CCC/C=Cc2c1cc(o2)CCC1CC1)(C(=O)O)O)N	PC-id_163583397	433.229	GJLPEHBDJGWPDM-QEKFYERKSA-N	00100000100000000110000000000010000000000000000000000000	31-01-130714
Brc1ccc(CC(CCCCn2c3c(nc2)NC=NCC3=O)C(=O)O)cc1	PC-id_10502899	433.299	HWTXHQAXNBBLRZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-130715
Brc1ccc(CC(CCCCn2c3NC=NCC(=O)c3nc2)C(=O)O)cc1	PC-id_11797019	433.299	PNPUABMVSIONHI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-130716
Brc1cc(CC(CCCCn2c3c(nc2)NC=NCC3=O)C(=O)O)ccc1	PC-id_10836524	433.299	FLKRSYULONSRJL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-130717
Brc1cc(CC(CCCCn2c3NC=NCC(=O)c3nc2)C(=O)O)ccc1	PC-id_10765218	433.299	NZZPKMCPPRVJLL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-130718
Brc1c(CC(CCCCn2c3c(nc2)NC=NCC3=O)C(=O)O)cccc1	PC-id_10646420	433.299	AZZKJQCBYAHGBL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-130719
Brc1c(CC(CCCCn2c3NC=NCC(=O)c3nc2)C(=O)O)cccc1	PC-id_10526772	433.299	ZXUKFTQGBRYCKW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-130720
Clc1ccc(cc1)NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(Cl)(F)F	SCHEMBL4134815,PC-id_11611774	433.3	CEYZFCFJSFYBIG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130721
O=C([C@@H]1CCc2nnnn2CC1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC22_1648125880	433.3	TWOILCMEIQLTKK-HLTSFMKQSA-N	00000010100010000101000000000110000000000000000000000000	31-01-130722
O=C([C@@H]1CCc2nnnn2CC1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC22_1648125881	433.3	TWOILCMEIQLTKK-IWSPIJDZSA-N	00000010100010000101000000000110000000000000000000000000	31-01-130723
O=C([C@@H]1CCc2nnnn2CC1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC22_1648125882	433.3	TWOILCMEIQLTKK-VGMNWLOBSA-N	00000010100010000101000000000110000000000000000000000000	31-01-130724
O=C([C@H]1CCc2nnnn2CC1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC22_1648125883	433.3	TWOILCMEIQLTKK-XHNCKOQMSA-N	00000010100010000101000000000110000000000000000000000000	31-01-130725
C1Cn2c(cc(n2)C=O)C(N=C1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16099761,PC-id_90460532	433.305	OAPXWFOWQJOMTL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-130726
Brc1ccc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_4427039	433.319	NUOFCOSUKQPNNW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130727
Brc1cc(c(OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1)C=O	PC-id_38900470	433.319	WLAQNCYFWUIFSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130728
N#Cc1c(NC(=O)COC(=O)c2cccc(Br)c2)sc2c1CCCCC2	ZINC22_9713712,CoCoCo_2907270,PC-id_4458096,EMOLS-id_3253314,MCULE-8268018116	433.319	IYWMFRFTGJZFSW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130729
N#Cc1c(NC(=O)COC(=O)c2ccccc2Br)sc2c1CCCCC2	EMOLS-id_43761090,MCULE-5219877330,PC-id_4034660,ZINC22_9403234,CoCoCo_3030771	433.319	QLZXETCBLGQDLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130730
c1(NC(=O)c2c3CCCCCc3on2)c(C)nn(Cc2ccc(c(Cl)c2)Cl)c1C	CHEMBL1498476,PC-id_3241605,ChEMBL-DNDi_CHEMBL1498476,TIMTEC444402,ZINC22_4079743,BindingDB_PC-id_3241605,BindingDB-id_127320,MCULE-3646983286,EMOLS-id_6685340	433.331	SDNNNNQMCGTKSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130731
Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1noc2c1CCCCC2	MCULE-4543646679,TIMTEC315202,PC-id_17253368,EMOLS-id_15972086,ZINC22_9597919	433.331	MPGIWBFXRCZBKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130732
Brc1cc(C2(CCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55975491	433.342	BOYNODOEIDMVMN-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-130733
Brc1ccc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)C2CCC2)cc1	PC-id_55916504	433.342	YMZPSRHWVXNSMI-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-130734
Brc1ccc(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)cc1	PC-id_4120967	433.362	BSGZZQSRHBFDAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130735
Brc1ccc(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)cc1	PC-id_6014919	433.362	BSGZZQSRHBFDAH-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130736
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cc(OC)c(OC(F)F)cc1	PC-id_19523808	433.372	XNYRWKZQHHSBPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130737
C1Cn2cc(nc2OCCN1Cc1cccc(n1)c1ccc(cc1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14966129,PC-id_89580423	433.384	NMBDXOIMCDNYTH-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-130738
C1Cn2cc(nc2OCCN1Cc1cnc(cc1)c1ccc(cc1)C(F)(F)F)[N+](=O)[O-]	PC-id_89580279,SCHEMBL14965932	433.384	FTCAXYLKZOUTPK-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-130739
C1Cn2cc(nc2OCCN1Cc1cncc(c1)c1ccc(cc1)C(F)(F)F)[N+](=O)[O-]	PC-id_89580297,SCHEMBL14965957	433.384	KKGDTQOWVYEJOC-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-130740
C1Cn2cc(nc2OCCN1Cc1ncc(cc1)c1ccc(cc1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14965894,PC-id_89580252	433.384	XYAZYHJPPQUQJD-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-130741
FC(F)(F)c1ccc(c2nccc(CN3CCn4c(OCC3)nc([N+](=O)[O-])c4)c2)cc1	SCHEMBL14966162,PC-id_71570138	433.384	XGEDHIBDXJHERJ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-130742
Brc1ccc(C2(O)CCN(CC2)CCCc2n3CCCCCc3nn2)cc1	SCHEMBL7957576,PC-id_59939394	433.385	LPKYOWSDVQZCFI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-130743
CN1C(=O)C(CCn2c1cc(n2)C(F)(F)F)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL18372596	433.387	WOPDMAPEZNBZLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130744
CN1C(=O)[C@H](CCn2c1cc(n2)C(F)(F)F)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL18372990	433.387	WOPDMAPEZNBZLY-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130745
O=C1C(CCn2c(N1C)cc(n2)C(F)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366209	433.387	GTPWYFCYRMIRBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130746
O=C1[C@H](CCn2c(N1C)cc(n2)C(F)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366210	433.387	GTPWYFCYRMIRBU-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130747
O=C(c1ncn(n1)Cc1ccccc1C(F)(F)F)N[C@H]1CCn2c(N(C1=O)C)ccn2	SCHEMBL18367085	433.387	BWXYKBXRMZVUBU-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130748
CN=C(N(Cc1ccccc1Br)C)NCCCc1nnc2n1CCCCC2	PC-id_111276337	433.388	ZERIXNPVKHUHKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130749
CN=C(N(Cc1ccc(cc1)Br)C)NCCCc1nnc2n1CCCCC2	PC-id_111293385	433.388	YBJPALYCOBNZOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130750
CN=C(NC(c1ccccc1Br)C)NCCCc1nnc2n1CCCCC2	PC-id_111322216	433.388	ZDHGQMCKLYXDAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130751
c1(NC(=O)c2c(F)c(F)c(c(F)c2F)F)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2627698785,PC-id_2163340,CoCoCo_683448,EMOLS-id_2095459,ZINC22_2736577,TIMTEC352561	433.392	OEYIFWOZPMIVFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130752
s1c2c(CCCCCC2)c(c1NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)OC	PC-id_5187869	433.392	TXQIGGNFKYANSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130753
O=C(c1n(C)cc2c1C=CCCN(S2=O)CC(F)(F)F)Nc1ccc(c(c1)F)F	PC-id_139471213,SCHEMBL21337210	433.396	FOHUIZUYZRAZFJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-130754
C1CN(CCc2c1nc(o2)C(=O)Nc1cccc(c1)C(F)(F)F)Cc1ccccc1F	PC-id_134808281	433.399	RSAPTTYTCNRZSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130755
C1CN(CCc2c1nc(o2)C(=O)Nc1cccc(c1)C(F)(F)F)Cc1cc(ccc1)F	PC-id_134808620	433.399	DRRPLBSBFYZNON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130756
C1CN(CCc2c1nc(o2)C(=O)Nc1cccc(c1)C(F)(F)F)Cc1ccc(cc1)F	PC-id_134808950	433.399	YFRXKEKLNFDCOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130757
CC(C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)O	SCHEMBL21337010,PC-id_139471017	433.402	DDRMGXBRCUBICR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130758
CC([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)O	SCHEMBL21327923,PC-id_139462787	433.402	DDRMGXBRCUBICR-LESKNEHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130759
C[C@@H](C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)O	PC-id_140762745	433.402	DDRMGXBRCUBICR-KBPLZSHQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130760
C[C@@H]([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)O	SCHEMBL18353364	433.402	DDRMGXBRCUBICR-QPUJVOFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130761
OCC1(CO)CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C	SCHEMBL18353426	433.402	OKDWNNOFEOLSRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130762
O=C(c1n(C)cc2c1OC[C@@H](NS2(=O)=O)C(O)(C)C)Nc1cc(F)c(c(c1)F)F	SCHEMBL18352841	433.402	FQXJZTJVJMSQDK-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130763
OC[C@H]1NS(=O)(=O)c2c(O[C@H]1C)c(n(c2)C)C(=O)Nc1ccc(c(c1)C(F)F)F	SCHEMBL18352963	433.402	FOEIMHBOFMCNPT-QPUJVOFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130764
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(C(=O)NO)OC	SCHEMBL8152305,PC-id_53947947	433.412	JCJGECLVPHBZAJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-130765
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCC(=O)NO	PC-id_23296762,SCHEMBL8152300	433.412	XZHVSAHKLCNGRY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-130766
C[C@@H]([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2CNc1cc(F)c(c(c1)C(F)F)F)C)O	SCHEMBL21337070,PC-id_139471074	433.42	KGPOLXWYJWQYID-LKFCYVNXSA-N	00000000100000110111000000000010000000000000000000000000	31-01-130767
COC(=O)c1c(NC(=O)Cn2nc(cc2C(F)F)C(F)F)sc2CCCCCc12	PC-id_4573651,EMOLS-id_4118628,TIMTEC140217,ZINC22_2735578,CoCoCo_6926923,MCULE-6767207637	433.42	FCBUNRVXXRIYMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130768
O=C(c1n(C)cc2c1OCC(NS2)C(O)(C)C)Nc1ccc(c(c1F)C(F)F)F	PC-id_139471060,SCHEMBL21337056	433.42	YAVWPZHLJSIQNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130769
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(c3)C(F)(F)F)CCn12	EMOLS-id_20492339,MCULE-3822167727,PC-id_45191765,ChEMBL-DNDi_CHEMBL26372720	433.427	FAYHQOHACJHPIH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130770
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3c(F)ccc(F)c3F)CCn12	MCULE-1245762181,EMOLS-id_20523263,ZINC22_20784672,PC-id_29153736,CoCoCo_1305107,CoCoCo_1305108	433.427	JDTCZFZFEDVYQY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130771
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	CoCoCo_1260202,ZINC22_39388451,CoCoCo_1260201	433.427	FAYHQOHACJHPIH-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130772
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	CoCoCo_1260203,ZINC22_39388450,CoCoCo_1260204	433.427	FAYHQOHACJHPIH-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130773
FC(F)(F)c1ccccc1CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	EMOLS-id_20429701,CoCoCo_1172179,PC-id_28389485,MCULE-7372829681,ZINC22_19836261,CoCoCo_1172180	433.427	NUYBMEVJVXDGAB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130774
FC(F)(F)c1cccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1	PC-id_31042796,MCULE-6366182619,EMOLS-id_232746324,ZINC22_23366842	433.427	SIDBYTJAFSKDGB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130775
FC(F)(F)c1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1	ZINC22_20999393,CoCoCo_1358088,PC-id_29258688,MCULE-4452479541,EMOLS-id_20559743,CoCoCo_1358089	433.427	MDGFHGIJMQOSSH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130776
FC(F)(F)c1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1	EMOLS-id_20467041,ZINC22_20448761,CoCoCo_1224042,PC-id_28953179,CoCoCo_1224041,MCULE-3986777399	433.427	YAFKPXPCDATEOI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130777
CC[C@H](NC(=O)c1cn(c2ccccc2C(F)(F)F)nn1)c1nnc2n1CCCCC2	ZINC22_519409746	433.43	KAHDAOQEQPXLGG-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130778
CC[C@@H](NC(=O)c1cn(c2ccccc2C(F)(F)F)nn1)c1nnc2n1CCCCC2	ZINC22_519409747	433.43	KAHDAOQEQPXLGG-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-130779
c1(NC(=O)c2ccc(cc2N(=O)=O)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4800869587,CoCoCo_5813612,ZINC22_2091848,SPECS-id_AK-968/37005318,EMOLS-id_4118648,TIMTEC546262,PC-id_1748828	433.435	XHDWIANYVFLUNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130780
c1(NC(=O)c2cc(cc(c2)N(=O)=O)N(=O)=O)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_3669394,CoCoCo_1949194,PC-id_3664408,MCULE-7708631776,EMOLS-id_5365609	433.435	HBLURSCOOLEIOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130781
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)Cc2noc3ccccc23)c1	EMOLS-id_313762506,ZINC22_1565556040	433.435	VJXJATKHLFNWRF-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-130782
s1c2c(CCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)OCC	PC-id_3295268	433.435	WDMQKYJSHCOKRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130783
s1c2c(CCCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1)C(=O)OC	PC-id_3533604	433.435	URXONCWPGVEMCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130784
CCOC(=O)N[C@](Nc1sc2c(c1C#N)CCCCC2)(C(=O)OCC)C(F)(F)F	CoCoCo_1955286,PC-id_7046718,ZINC22_3671790	433.445	HZLZDJCCAHCOFB-QGZVFWFLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-130785
CCOC(=O)N[C@@](Nc1sc2c(c1C#N)CCCCC2)(C(=O)OCC)C(F)(F)F	PC-id_7046719,CoCoCo_1955287,ZINC22_3671791	433.445	HZLZDJCCAHCOFB-KRWDZBQOSA-N	00000000100000000100000000000010000000000000000000000000	31-01-130786
CCOC(=O)NC(Nc1sc2CCCCCc2c1C#N)(C(=O)OCC)C(F)(F)F	EMOLS-id_6772162,ChEMBL-DNDi_CHEMBL8010-7688,MCULE-5060093385,PC-id_606086	433.445	HZLZDJCCAHCOFB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-130787
CCOc1cc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c(cc1OC)[N+](=O)[O-]	MCULE-7932135088,EMOLS-id_43993121,PC-id_24517379	433.478	DIYPGNXFMZWFLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130806
FC1=C(F)C=C(CC1F)NC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(O)(C)C	SCHEMBL21337393,PC-id_139471396	433.445	FWXJYIVIWOTBJG-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-130788
CC(OC(=O)C1=CN(CC(c2c1n(C)c(=O)n2C)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659364	433.448	VOQVVWCWLYUNNL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-130789
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)[N+](OCC)(NC)[O-]	PC-id_88257302,SCHEMBL8160033	433.455	WAKOMXMPASKAOL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-130790
CCOC(=O)c1c2-c(c(c1NC(=O)C)C(=O)OCC)ccc(cc2)N=Nc1ccccc1	PC-id_101760654	433.457	BPLRRHNMXCBMJP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130791
COC(=O)c1ccccc1C(=O)N1CCc2nnc(CNC(=O)c3ccccc3)n2CC1	ZINC22_14981137,PC-id_26336761,CoCoCo_1483092,MCULE-7346489862,EMOLS-id_20642947	433.46	BEDYSXHNIZPSEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130792
O=C1N(C(=O)c2c1cc(C(=O)NCCc1n3CCCCCc3nn1)cc2)Cc1occc1	PC-id_55535865	433.46	SILRGYVRIDZUCN-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-130793
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(Cn2nc3n(c2=O)cccc3)ccc1	PC-id_55762776	433.463	PJBCMBAAKWFTOH-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-130794
O=C(N1Cc2c(C1)cccc2)Nc1ccc(nn1)C(=O)NCc1nnc2n1CCCNC2	SCHEMBL14941437,PC-id_71572092	433.466	QBUQIQBDZAHVBE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-130795
O=C(N1Cc2c(C1)cccc2)Nc1ccc(nn1)C(=O)NCc1nnn2c1CNCCC2	SCHEMBL14941429,PC-id_71572313	433.466	QVTSKJZMJWLEME-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-130796
O=C(c1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)CCCCC2)NCC(F)(F)F	PC-id_112807959	433.468	RAVCHEGJMMMQKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130797
O=C(Nc1nc2c(s1)CCCCC2)c1cccc(S(=O)(=O)NCC(F)(F)F)c1	EMOLS-id_36260981,ZINC22_22326079,MCULE-5287747759,PC-id_24611806	433.468	STXWQRBSMHEGAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130798
O=C(Nc1nc2c(s1)CCCCC2)CNS(=O)(=O)c1cccc(c1)C(F)(F)F	PC-id_112810238	433.468	CZKPUGGYFKJYBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130799
Fc1ccc(c(c1)F)N1CC(CC1=O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_33346755,MCULE-7190650329,PC-id_51113913	433.472	NLXGXEZMDKNGDI-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-130800
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@H]1CN(C(=O)C1)c1c(F)cc(F)cc1	PC-id_52532130	433.472	NLXGXEZMDKNGDI-CYBMUJFWSA-N	00000010100000110100100000000010000000000000000000000000	31-01-130801
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H]1CN(C(=O)C1)c1c(F)cc(F)cc1	PC-id_52532131	433.472	NLXGXEZMDKNGDI-ZDUSSCGKSA-N	00000010100000110100100000000010000000000000000000000000	31-01-130802
Fc1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1F	CoCoCo_1191671,CoCoCo_1191672,ZINC22_19840852,PC-id_28395008,MCULE-5821225772,EMOLS-id_20443727	433.475	MHKOIYNGJNASHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130803
Fc1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)c(F)c1	CoCoCo_1360457,EMOLS-id_20561389,CoCoCo_1360458,ZINC22_20999716,MCULE-7305570357,PC-id_29259102	433.475	PUCZTFGGMYFFPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130804
Fc1cc(F)cc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)c1	MCULE-1755872589,EMOLS-id_232714585,PC-id_28731753,ZINC22_20203055	433.475	KHDHSQBGHGIDIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130805
Fc1ccccc1c1cccc(c1)C(=O)N1CCc2nnc(CNC(=O)C3CC3)n2CC1	PC-id_42340673,ZINC22_11995851,MCULE-5692597242,EMOLS-id_232717015	433.478	HCIPOGZJQFOEOZ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-130807
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4cc5ccccc5o4)CCn23)c1	MCULE-1561234682,PC-id_26276091,EMOLS-id_20447155,CoCoCo_1196348,CoCoCo_1196349,ZINC22_14880123	433.478	YFKPIWAGYHROKQ-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-130808
Fc1cc(CN(C(=O)Cn2nc3n(CCCCC3)c2=O)Cc2ccc(cc2)C#N)ccc1	PC-id_55993327	433.478	YTJCUZQMFGSARV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130809
NC1=NCCCC[C@@H](c2nc([C@H](CC1)NS(=O)(=O)N[C@H](C(=O)O)C(O)C)on2)N	SCHEMBL18078225,PC-id_122541683	433.483	TWAWKAATAOSDTO-BCBKFXIMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-130810
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccc(cc3F)F)CCn12	PC-id_45205726,MCULE-8338939118,EMOLS-id_20553639	433.495	RNGAFKPOADIADA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-130811
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	CoCoCo_1348938,ZINC22_20997000,CoCoCo_1348940	433.495	RNGAFKPOADIADA-OXJNMPFZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-130812
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	CoCoCo_1348943,ZINC22_20996998,CoCoCo_1348945	433.495	RNGAFKPOADIADA-UZLBHIALSA-N	00000010100000110101000000000010000000000000000000000000	31-01-130813
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	ZINC22_20996996,CoCoCo_1348941,CoCoCo_1348939	433.495	RNGAFKPOADIADA-OXQOHEQNSA-N	00000010100000110101000000000010000000000000000000000000	31-01-130814
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	ZINC22_20997002,CoCoCo_1348942,CoCoCo_1348944	433.495	RNGAFKPOADIADA-JXFKEZNVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-130815
CNC(=O)C(C(C)(C)C)N(C(=O)c1n[nH]c2c1CN(C)CCC2)c1ccc(c(c1)F)F	SCHEMBL3707078,PC-id_68753050	433.495	WZEKXIMPQSJJPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130816
CN=C(NC1CCN(C1)c1ccccc1OC(F)F)NCc1nnc2n1CCCCC2	PC-id_111921613	433.498	NHDGMPMOQZLRIN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-130817
Cc1ccc(cc1)C(C(=O)c1ccc(cc1)C)OC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_17195548,PC-id_42945150,MCULE-5719121356	433.5	GLFKUYANOZCWQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130818
Cc1ccc(C(=O)[C@@H](OC(=O)Cn2nc3n(c2=O)CCCCC3)c2ccc(C)cc2)cc1	CoCoCo_4692015,PC-id_32365700,ZINC22_25054312	433.5	GLFKUYANOZCWQC-DEOSSOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130819
Cc1ccc(C(=O)[C@H](OC(=O)Cn2nc3n(c2=O)CCCCC3)c2ccc(C)cc2)cc1	PC-id_32365693,CoCoCo_4692016,ZINC22_25054305	433.5	GLFKUYANOZCWQC-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-130820
CCOC(=O)C1CCN(c2c(C1=O)cnn2Cc1ccc(cc1)OC)Cc1ccccc1	SCHEMBL15303260,PC-id_86698352	433.5	LMXSYCKTQDWXSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130821
O=C(NC(Cc1ccccc1)C(=O)NC)C(Cc1c2-c(cc1)ccccc2)CC(=O)NO	PC-id_73194660	433.5	OCGDMYUQMYQNNL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130822
O=C(N[C@@H](Cc1ccccc1)C(=O)NC)[C@H](Cc1c2-c(cc1)ccccc2)CC(=O)NO	PC-id_15432215,SCHEMBL8481437	433.5	OCGDMYUQMYQNNL-IRLDBZIGSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130823
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N)cc1)C#N	PC-id_55312829	433.501	JVQDHBYOYYNGPJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130824
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1occc1)C(=O)OC	PC-id_4289788	433.501	BVFRGBMPKDKNKV-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-130825
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc2c(cc1)C(=O)NC2=O	PC-id_56560625	433.501	WOSQCXBGEMPVIX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-130826
COc1ccccc1C(=O)NCc1nnc2CCN(Cc3ccc4OCCc4c3)CCn12	PC-id_42167124,ZINC22_11786823,EMOLS-id_20425185,MCULE-7472847078	433.503	IJSOAIKWZQZPFF-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-130827
COC(=O)c1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1	EMOLS-id_20578175,CoCoCo_1385671,ChEMBL-DNDi_CHEMBL45124058,CoCoCo_1385670,MCULE-4781946588,ZINC22_14992594,PC-id_26347686	433.503	QRAZCVBJSZFIMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130828
n12CCN(CCc1nnc2CNC(=O)COc1ccccc1)Cc1ccc2c(CCO2)c1	CoCoCo_1311814,PC-id_42417860,EMOLS-id_20528003,ZINC22_12123052,CoCoCo_1311815,MCULE-5384124861	433.503	YLEWUUZDINUTFH-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-130829
O=c1n2CCCCCc2nn1CC(=O)NC(c1cc(NC(=O)c2ccccc2)ccc1)C	PC-id_55693534	433.503	QLBPGTMYPMRYJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130830
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(NC(=O)c2ccc(cc2)C)ccc1	PC-id_55900424	433.503	BLZBAUOHSBXTFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130831
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_2196357,MCULE-7532441463,ZINC22_670317,ChEMBL-DNDi_CHEMBL7233819,SPECS-id_AK-968/12717720,TIMTEC530964,CoCoCo_897326,PC-id_1010030	433.518	WPZTVMZYDFKHNX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130832
c1(NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCCCCC2)c1C(=O)OC	Chemmine_7406,MCULE-8214951795,CoCoCo_684031,SPECS-id_AK-968/11842065,TIMTEC454303,EMOLS-id_1094474,ZINC22_2081336,PC-id_1740675	433.518	SOMNXGTVRSKXKS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130833
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OCC1COc2cscc2OC1	PC-id_135799935	433.518	BKVURKVPRZYIGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130834
Cn1c2c(CCCCC2=Cc2cc(ccc2)F)c(n1)C(=O)NC(CCO)c1ccccc1	PC-id_90738884	433.518	HNSPQQMCNTULAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130835
COC(=O)c1c(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)sc2c1CCCCC2	ZINC22_32876240,SCHEMBL18997455,MCULE-4420316364,EMOLS-id_25651314,PC-id_40111068,CoCoCo_4490732	433.518	BUPMKUXFAXFAOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130836
Fc1cc(/C=C/c3n(nc(c3CCCC2)C(=O)N[C@H](CCO)c2ccccc2)C)ccc1	SCHEMBL14089787,PC-id_25069883	433.518	HNSPQQMCNTULAQ-VVMUCNELSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130837
s1c2CCCCCc2cc1C(=O)OCC(=O)NCc1c(OC)cc(OC)c(OC)c1	PC-id_27938751	433.518	JLBZMKQVBUGBJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130838
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1cc(OC)c(OC)c(OC)c1	PC-id_16512659	433.518	DOKFCLXYIPMFRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130839
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)OC	PC-id_4462021	433.519	ILZSSKRETLABMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130840
CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(=O)n(C)c1=O	MCULE-6219452726,ZINC22_13056898,EMOLS-id_43703933,PC-id_25691764,CoCoCo_2861353	433.521	RDJNSPYPLGAYHS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-130841
s1c2c(CCCCC2)c(c1NC(=O)c1[nH]c(c(c1C)C(=O)OCCOC)C)C(=O)N	PC-id_55755287	433.521	QNZGULPGXAFBGL-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-130842
O=C(Nc1ccccc1)c1c(/N=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCCCC2	ZINC22_408970799	433.523	KMWLOMFHEYCIPL-PCLIKHOPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130843
O=C(Nc1ccccc1)c1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2	ZINC22_408974078	433.523	WVJLPLALESJAJK-PCLIKHOPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130844
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1	PC-id_55536213	433.523	KOIXIFNJERWPBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130845
CCOc1cc(ccc1OCC)NC(=O)N/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3081349,CoCoCo_3081350	433.524	QSSHSRABJUCSOY-QGOAFFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-130846
CCOc1cc(ccc1OCC)NC(=O)N/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3081351,CoCoCo_3081348	433.524	QSSHSRABJUCSOY-AQTBWJFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-130847
CCOc1ccc(NC(=O)NC(=O)CSc2nnc3n2CCCCC3)cc1OCC	CoCoCo_3081347,ZINC22_14019374,PC-id_17417155,MCULE-1681232186,EMOLS-id_43775468	433.524	NNBCHXCHRGMRQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130848
S(=O)(=O)(N1CCCC1)c1ccc(cc1)CNC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55798362	433.524	DTDQHPZBIVLVAR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-130849
S(=O)(=O)(N1CCCCC1)c1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55477651	433.524	HPWBABNYWHWYQI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130850
S(=O)(=O)(N1CCCCC1)c1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_55921367	433.524	QBKPRMBIXJQJDU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-130851
S(=O)(=O)(NCC1OCCC1)c1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_55524455	433.524	GWJYLJZDZGORGO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-130852
S(=O)(=O)(NCCC(=O)NCCc1n2CCCCCc2nn1)c1ccc(cc1)C(=O)C	PC-id_55535975	433.524	BSTVLMXAZSDVFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130853
C=CCn1c(=O)/c(=C/c2ccc(cc2)OC)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3610899,CoCoCo_3610898	433.526	KARIBKXYCDWNSC-CZAWPTCYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130854
C=CCn1c(=O)/c(=C/c2ccc(cc2)OC)/s/c/1=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3610900,CoCoCo_3610897,PC-id_2312091	433.526	KARIBKXYCDWNSC-HYMVUHNRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130855
C=CCn1c(=O)c(=Cc2ccc(cc2)OC)sc1=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_44488428,PC-id_4419894,MCULE-6463227170	433.526	KARIBKXYCDWNSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130856
C=CCn1c(=O)/c(=Cc2ccc(OC)cc2)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	ZINC22_34876278	433.526	KARIBKXYCDWNSC-IVSMOVAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130857
O=C(c1cocc1)N[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1cc2c([nH]1)cccc2)C(C)C	GD-id_ZINC11973679	433.526	DRTULDVYSOLCPP-JOCHJYFZSA-O	00000000101000100101000001100010000000000000000000000000	31-01-130858
O=C(c1cocc1)N[C@H](c1nnc2n1CC[N@@H+](CC2)Cc1cc2c([nH]1)cccc2)C(C)C	GD-id_ZINC11973684	433.526	DRTULDVYSOLCPP-QFIPXVFZSA-O	00000000101000100101000001100010000000000000000000000000	31-01-130859
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1c(OC)cccc1)C)c1cccnc1	PC-id_74417277	433.526	ZFNLVUWQZQERTH-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-130860
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)C)c1cccnc1	PC-id_25296486	433.526	ZFNLVUWQZQERTH-AHKGRUIUSA-O	00000000100000111101000000000010000000000000000000000000	31-01-130861
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)C)c1cccnc1	PC-id_25296490	433.526	ZFNLVUWQZQERTH-YOCVDRLZSA-O	00000000100000111101000000000010000000000000000000000000	31-01-130862
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1ccc(OC)cc1)CC=C	PC-id_2312088	433.526	KARIBKXYCDWNSC-RDDUORFMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130863
s1c(N(C(=O)Cn2nc3n(CCCCC3)c2=O)c2c(cccc2)C)nc2c1cccc2	PC-id_55576689	433.526	GELMPZXJEFYXHB-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-130864
s1c(/N=N/c2ccc(cc2)C)c(nc1/N=N/c1c2-c(cc1)ccccc2)c1ccccc1	PC-id_21858649	433.528	PZWVTWVAFUVYOI-FUEWEDNTSA-N	00000010100000110111100000000010000000000000000000000000	31-01-130865
CCC(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670309	433.531	XPFCUDYFDQIPHH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130866
CCC(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21040646	433.531	XPFCUDYFDQIPHH-SHTZXODSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-130867
O=C(c1ccc(cc1)CC1CCCCc2c(C1(F)F)nnn2C(C)(C)C)OC(C)(C)C	SCHEMBL16980283,PC-id_118284562	433.535	WQEQEDIOQOZESF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130868
O=[N+](N[C@H](c1ccccc1)C)/C=C/c1nn(c2c1CCCCC2Cc1ccc(cc1)F)C	PC-id_145479754	433.541	GNSVXNKZCQFDMZ-BKZNFVNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130869
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1sc2CCCc2c1)C(=O)OC	PC-id_5185441	433.541	UJFNNRMQQVATDW-UHFFFAOYSA-N	00000010100000000100000010000010000000000000000000000000	31-01-130870
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CSc1ccccc1)C(=O)OC	PC-id_3445932	433.541	HFJJRLVKZAKMJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130871
C=Cc1cc([nH]c1/C=CCOCCCN1CCOCC1)C(=O)c1cc2=CC=CCC=c2[nH]1	SCHEMBL20762518,PC-id_137516877	433.543	FDQYVNFRCYAVHV-POHAHGRESA-N	00000000110010000111000000000010000000000000000000000000	31-01-130872
C/C=C(C=C/Cc1ccc([nH]1)C(=O)c1cc2c([nH]1)C=CCC=C2C)/NC(=O)OC(C)(C)C	PC-id_137516743,SCHEMBL20762341	433.543	XZNFCAYRFQAPKK-ZZYBWXLGSA-N	00000000110000000110000000000010000000000000000000000000	31-01-130873
c1(NC(=O)C(=O)NN=C(C)c2cccs2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4663546,MCULE-5262058315	433.544	YOZXZXYFCPUFLA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-130874
C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1sc3c(c1C#N)CCCCC3)CS2	CoCoCo_3061419,ZINC22_9441270,PC-id_41071435	433.544	IMLWFQCPYNPDJB-XOBRGWDASA-N	00000010100000000101000000000110000000000000000000000000	31-01-130875
C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)Nc1sc3c(c1C#N)CCCCC3)CS2	CoCoCo_3061420,PC-id_41071437,ZINC22_9441274	433.544	IMLWFQCPYNPDJB-JLTOFOAXSA-N	00000010100000000101000000000110000000000000000000000000	31-01-130876
C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)Nc1sc3c(c1C#N)CCCCC3)CS2	PC-id_41071438,CoCoCo_3061418,ZINC22_9441278	433.544	IMLWFQCPYNPDJB-VLIAUNLRSA-N	00000010100000000101000000000110000000000000000000000000	31-01-130877
C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1sc3c(c1C#N)CCCCC3)CS2	ZINC22_9441265,PC-id_41071434,CoCoCo_3061421	433.544	IMLWFQCPYNPDJB-VBKZILBWSA-N	00000010100000000101000000000110000000000000000000000000	31-01-130878
Cc1noc(C)c1CSCC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-3302560440,EMOLS-id_3427374,PC-id_4791573,ZINC22_9508380,CoCoCo_2878909	433.544	IKZYNABETBBVPG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130879
CCOC(=O)c1c(NC(=O)C(=O)N/N=C(/c2cccs2)C)sc2c1CCCCC2	EMOLS-id_26342041,PC-id_6179387,STOCK4S-47717	433.544	YOZXZXYFCPUFLA-WSDLNYQXSA-N	00000000100100000100000000000010000000000000000000000000	31-01-130880
COc1cccc(OC)c1C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_32125265,PC-id_20166138	433.544	CJYGNGKCEDLPPC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130881
COc1cc(OC)cc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)c1	PC-id_20166137,ZINC22_32125228	433.544	ZGNMRPKDWRBPRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130882
N#Cc1c(NC(=O)COC(=O)C2CSC3(N2C(=O)CC3)C)sc2c1CCCCC2	EMOLS-id_3415094,PC-id_4786690,MCULE-5164205211	433.544	IMLWFQCPYNPDJB-UHFFFAOYSA-N	00000010100000000101000000000110000000000000000000000000	31-01-130883
N#Cc1nc2oc1N(C)CCCCC[C@@H](C(=O)N[C@H]2C(C)(C)C)NC(=O)[C@H](C(C)C)O	PC-id_146048346	433.544	AETKKMDRXAYHTL-BHYGNILZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-130884
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1	PC-id_29652833	433.544	ZONCBKDTCLMUON-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-130885
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1sccc1C)C(=O)OCC	PC-id_19660582	433.544	NQIJHVOSMSALNS-SRZZPIQSSA-N	00000000100100000100000000000010000000000000000000000000	31-01-130886
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(c1sccc1)/C)C(=O)OCC	PC-id_6386899	433.544	YOZXZXYFCPUFLA-UUYOSTAYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-130887
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1sccc1C)C(=O)OCC	PC-id_73635036	433.544	NQIJHVOSMSALNS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-130888
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(ccc([N+](=O)[O-])c1)C)C(=O)OCC	PC-id_20411821	433.544	NBAIRVAYJCGEEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130889
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_20412494	433.544	GSWFKMXBSSOIQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130890
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(c([N+](=O)[O-])ccc1)C)C(=O)OCC	PC-id_20408421	433.544	XWPZQYRHZBCJTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130891
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])c(cc1)C)C(=O)OCC	PC-id_20415095	433.544	GPPXVPUORURQNP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130892
s1c2c(CCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(cc1)C)C(=O)OCC	PC-id_20412618	433.544	ACPYQEWNSUSDGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130893
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc2c(N(C(=O)C2)C)cc1	PC-id_24602644	433.544	FOIQFTRDOKDRHL-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-130894
s1c2c(CCCCCC2)c(c1NC(=O)CSC1=NC(=O)C(=C)C(=N1)C)C(=O)OC	PC-id_78371109	433.544	ZDIIJHRNAHXULQ-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-130895
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(ccc([N+](=O)[O-])c1)C)C(=O)OC	PC-id_20411814	433.544	GLKRJGJEZCISIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130896
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc([N+](=O)[O-])cc1)C)C(=O)OC	PC-id_20412487	433.544	DPHGCYWIIITYTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130897
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_20411665	433.544	KRQLDVDIFUEPDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130898
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(c([N+](=O)[O-])ccc1)C)C(=O)OC	PC-id_20408414	433.544	IULNRXBJFLHMRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130899
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])c(cc1)C)C(=O)OC	PC-id_20415088	433.544	KFBIIBSIRCQGBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130900
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_20411627	433.544	IUKMXVQYRXLTSD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130901
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(cc1)C)C(=O)OC	PC-id_20412611	433.544	LJILUTDVSDDVMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130902
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cccc1)C(=O)OCC	PC-id_20411586	433.544	AZRQXNQNQKEHKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130903
S1(=O)(=O)N(CCC1)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N	PC-id_55433517	433.544	DQBIRYLDJVOMCF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-130904
S1(=O)(=O)N(CCC1)c1ccc(cc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_24517383	433.544	HTRXCTDKSAATLA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-130905
S(=O)(=O)(N1CCc2c1ccc(c2)C(=O)NNC(=O)c1sc2CCCCCc2c1)C	PC-id_31363696	433.544	ZUUOCCZRDKMXDH-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-130906
S(=O)(=O)(NC1CC1)c1ccc(cc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_31846647	433.544	KNKUIOPKZIFINY-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-130907
S(=O)(=O)(NC1CC1)c1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)ccc1	PC-id_55358592	433.544	GAXVNSJEOURFDW-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-130908
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(CC=Cc3ccccc3)CCn12	MCULE-9327842498,PC-id_74802451	433.546	CNBZQMNEUZLLCA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130909
Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1	CoCoCo_1133124,MCULE-8658839678,EMOLS-id_20400982,PC-id_30853233,CoCoCo_1133125,ZINC22_23129601	433.546	GVLBRPPCFHQYPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130910
Cc1ccc(C)c(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1	PC-id_26279918,MCULE-9214810661,ZINC22_14884604,CoCoCo_1209305,CoCoCo_1209306,EMOLS-id_20456577	433.546	ARXPSUKZKSTLHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130911
Cc1cc(C)c(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)cc1C	PC-id_29257868,EMOLS-id_20556757,CoCoCo_1353608,MCULE-5603237346,CoCoCo_1353609,ZINC22_20998435	433.546	QQEYYPHPOJLPQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130912
Cc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1C	PC-id_28957668,MCULE-4174663726,ZINC22_20455285,EMOLS-id_20484427,CoCoCo_1248984,CoCoCo_1248983	433.546	ZQVSBWUEWMCMKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130913
CC(c1ccc(c2-c(c1)c(C)cc2C(=NCCNc1ccc(cn1)[N+](=O)[O-])N(C)C)C)C	PC-id_139705194	433.546	YAUBQHSERDLAGK-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-130914
CCc1ccc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)cc1	MCULE-6509678307,ChEMBL-DNDi_CHEMBL30086872,PC-id_45196033,EMOLS-id_20511135	433.546	NACKFEXJLPMQNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130915
CCc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1	MCULE-7090654637,PC-id_28390302,EMOLS-id_20431389,CoCoCo_1174511,ZINC22_19836862,CoCoCo_1174512	433.546	VWNRHUDMRTVMLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130916
CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	CoCoCo_1287261,PC-id_29150556,CoCoCo_1287262,ZINC22_20776764	433.546	NACKFEXJLPMQNU-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-130917
CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	PC-id_29150555,CoCoCo_1287260,CoCoCo_1287259,ZINC22_20776761	433.546	NACKFEXJLPMQNU-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130918
CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(C/C=C/c1ccccc1)CC2	CoCoCo_1414486,ZINC22_12148917,CoCoCo_1414484,PC-id_42428931	433.546	CNBZQMNEUZLLCA-ISPXXFMDSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130919
CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(C/C=C/c1ccccc1)CC2	ZINC22_12148916,PC-id_42428929,CoCoCo_1414482,CoCoCo_1414480	433.546	CNBZQMNEUZLLCA-VMLCMGRWSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130920
CC(C)CC(NC(=O)c1ccco1)c1nnc2CCN(C/C=C/c3ccccc3)CCn12	EMOLS-id_26009047,PC-id_45215952	433.546	CNBZQMNEUZLLCA-UXBLZVDNSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130921
CCC(C)C(=O)NCc1nnc2CCN(Cc3cccc(Oc4ccccc4)c3)CCn12	MCULE-7745858332,EMOLS-id_20742943,PC-id_45251195	433.546	IYBXHSHJBCAGFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130922
CC(C[C@H](c1nnc2n1CCN(CC2)C/C=Cc1ccccc1)NC(=O)c1ccco1)C	CoCoCo_1414481,CoCoCo_1414479	433.546	CNBZQMNEUZLLCA-RACPOZDESA-N	00000000101000110101000000000010000000000000000000000000	31-01-130923
CC(C[C@@H](c1nnc2n1CCN(CC2)C/C=Cc1ccccc1)NC(=O)c1ccco1)C	CoCoCo_1414483,CoCoCo_1414485	433.546	CNBZQMNEUZLLCA-PNWMKBJFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130924
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2	ZINC22_15068684,CoCoCo_1636642,CoCoCo_1636640	433.546	IYBXHSHJBCAGFL-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130925
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2	ZINC22_15068686,CoCoCo_1636639,CoCoCo_1636641	433.546	IYBXHSHJBCAGFL-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-130926
CC(C)Oc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1	EMOLS-id_20567023,MCULE-9574678386,CoCoCo_1368649,CoCoCo_1368650,PC-id_26342078,ZINC22_14987536	433.546	ZUDVXXJDWOIZDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130927
CC(C(=O)NCCc1nnc2n1CCN(CC2)Cc1cccc(c1)Oc1ccccc1)C	ChEMBL-DNDi_CHEMBL31658373	433.546	BADHZRNOVRVNBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130928
CCOc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1	CoCoCo_1306011,MCULE-8350867157,CoCoCo_1306012,ZINC22_20785145,EMOLS-id_20523965,PC-id_29153944	433.546	BDGUYMJBGDPQGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130929
CN1CCC(=NO)c2c(C1=O)n(cc2)CCCCN1CCC(CC1)(C#N)c1ccccc1	PC-id_88403717,SCHEMBL9039110	433.546	NHCJRUSCYGBRSX-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-130930
CN(Cc1ccccc1)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CCOC	PC-id_134806621	433.546	NXRFQYWOXHAGJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130931
COc1ccccc1CN1CCc2nnc(C(C)NC(=O)CCc3ccccc3)n2CC1	EMOLS-id_20541941,MCULE-2903566274,PC-id_45203080,ChEMBL-DNDi_CHEMBL36613247	433.546	DWIDYGTZYITXIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130932
COc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1	PC-id_42439979,CoCoCo_1331928,ZINC22_12164872,CoCoCo_1331927	433.546	DWIDYGTZYITXIQ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-130933
COc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1	ZINC22_12164867,PC-id_42439973,CoCoCo_1331926,CoCoCo_1331925	433.546	DWIDYGTZYITXIQ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130934
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(C)cc3C)CCn12	CoCoCo_1132583,EMOLS-id_20400584,MCULE-1265269870,ZINC22_23129515,PC-id_30853125,CoCoCo_1132582	433.546	LIGPRRNQAOJCQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130935
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cc(C)cc(C)c3)CCn12	CoCoCo_1172721,ZINC22_19836378,MCULE-8284704687,CoCoCo_1172720,EMOLS-id_20430097,PC-id_28389655	433.546	SHQPQFNVBGFRFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130936
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(C)c(C)c3)CCn12	CoCoCo_1417357,ZINC22_19229172,CoCoCo_1417356,PC-id_28101743,MCULE-1358768819,EMOLS-id_32399696	433.546	QRWYYWQFSMCIQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130937
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(CCCc3ccccc3)CCn12	PC-id_42482985,CoCoCo_1352810,MCULE-4425547676,CoCoCo_1352811,ChEMBL-DNDi_CHEMBL39793445,EMOLS-id_20556239,ZINC22_12245683	433.546	NEWNWJTYDNEXLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130938
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(CC(C)c3ccccc3)CCn12	PC-id_45230729,EMOLS-id_20659427,MCULE-8080143437	433.546	ZSOZCULSQJMEMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130939
COc1ccc(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)cc1	EMOLS-id_20547559,MCULE-3393542058,ChEMBL-DNDi_CHEMBL37855832,PC-id_45204336	433.546	NICSADFYWDWIQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130940
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	PC-id_42452111,CoCoCo_1339988,CoCoCo_1339987,ZINC22_12191063	433.546	NICSADFYWDWIQD-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130941
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	ZINC22_12191064,PC-id_42452113,CoCoCo_1339989,CoCoCo_1339990	433.546	NICSADFYWDWIQD-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-130942
COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@H](C)c2ccccc2)CC3)cc1	CoCoCo_1508308,CoCoCo_1508310,PC-id_42499759,ZINC22_12279628	433.546	ZSOZCULSQJMEMD-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-130943
COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@@H](C)c2ccccc2)CC3)cc1	PC-id_42499757,CoCoCo_1508309,CoCoCo_1508307,ZINC22_12279627	433.546	ZSOZCULSQJMEMD-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130944
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CCc1oc(cc1)c1ccccc1	PC-id_46534100	433.546	SWYOURAFAORBHI-UHFFFAOYSA-N	00000000101010110101100000000010000000000000000000000000	31-01-130945
O=C(NC(c1nnc2n1CCN(CC2)C/C(=C/c1ccco1)/C)C)CCc1ccccc1	ChEMBL-DNDi_CHEMBL49674679	433.546	ZTUUBVUKBADOLF-HTXNQAPBSA-N	00000000101000110101000000000010000000000000000000000000	31-01-130946
s1c2CCCCCCc2cc1C(=O)Nc1cc(CN2N=C3[NH+](C2=O)C=CC=C3)ccc1	PC-id_75878582	433.546	VOPLYQAXXBMBIW-UHFFFAOYSA-O	00000011100011110101000000000110000000000000000000000000	31-01-130947
CCO/C(=C
/C(=NC(=O)N[C@H]1c1cccs1)CSc1nnc2n1CCCCC2)/O	CoCoCo_3081978,CoCoCo_3081985	433.548	PHEMCGBKPNNLSZ-SCDSTIRESA-N	00000000100111000101100000000010000000000000000000000000	31-01-130948
CCO/C(=C/1C(=NC(=O)N[C@@H]1c1cccs1)CSc1nnc2n1CCCCC2)/O	CoCoCo_3081979,CoCoCo_3081983	433.548	PHEMCGBKPNNLSZ-IBOXJLQUSA-N	00000000100111000101100000000010000000000000000000000000	31-01-130949
CCO/C(=C
/C(=NC(=O)N[C@@H]1c1cccs1)CSc1nnc2n1CCCCC2)/O	CoCoCo_3081980,CoCoCo_3081984	433.548	PHEMCGBKPNNLSZ-CFBLSMTOSA-N	00000000100111000101100000000010000000000000000000000000	31-01-130950
CCO/C(=C/1C(=NC(=O)N[C@H]1c1cccs1)CSc1nnc2n1CCCCC2)/O	CoCoCo_3081981,CoCoCo_3081982	433.548	PHEMCGBKPNNLSZ-UYTDBDHRSA-N	00000000100111000101100000000010000000000000000000000000	31-01-130951
CCOC(=O)C1=C(CSc2nnc3n2CCCCC3)NC(=O)NC1c1cccs1	EMOLS-id_24000629,MCULE-2982293491,PC-id_42902471	433.548	ICGIWJLTWRRATK-UHFFFAOYSA-N	00000000100111000101100000000010000000000000000000000000	31-01-130952
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(OC)cc1)C(=O)OC	PC-id_41086469	433.584	NMHQLLJMKNERQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131027
CCOC(=O)C1=C(CSc2nnc3n2CCCCC3)NC(=O)N[C@@H]1c1cccs1	CoCoCo_3081977,PC-id_25463541,ZINC22_12722922	433.548	ICGIWJLTWRRATK-MRXNPFEDSA-N	00000000100111000101100000000010000000000000000000000000	31-01-130953
CCOC(=O)C1=C(CSc2nnc3n2CCCCC3)NC(=O)N[C@H]1c1cccs1	PC-id_25463542,CoCoCo_3081976,ZINC22_12722923	433.548	ICGIWJLTWRRATK-INIZCTEOSA-N	00000000100111000101100000000010000000000000000000000000	31-01-130954
CCOC(=O)[C@@H]1C(=NC(=O)N[C@H]1c1cccs1)CSc1nnc2n1CCCCC2	CoCoCo_3081986	433.548	DPOWUFYQGCZSTK-CVEARBPZSA-N	00000000100111000101100000000010000000000000000000000000	31-01-130955
CCOC(=O)[C@@H]1C(=NC(=O)N[C@@H]1c1cccs1)CSc1nnc2n1CCCCC2	CoCoCo_3081987	433.548	DPOWUFYQGCZSTK-HZPDHXFCSA-N	00000000100111000101100000000010000000000000000000000000	31-01-130956
CCOC(=O)[C@H]1C(=NC(=O)N[C@@H]1c1cccs1)CSc1nnc2n1CCCCC2	CoCoCo_3081988	433.548	DPOWUFYQGCZSTK-JKSUJKDBSA-N	00000000100111000101100000000010000000000000000000000000	31-01-130957
CCOC(=O)[C@H]1C(=NC(=O)N[C@H]1c1cccs1)CSc1nnc2n1CCCCC2	CoCoCo_3081989	433.548	DPOWUFYQGCZSTK-HOTGVXAUSA-N	00000000100111000101100000000010000000000000000000000000	31-01-130958
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(n(nc1)c1cc(ccc1)C)C	PC-id_46449509	433.549	YVYDGRKTDPUHGW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-130959
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(n(nc1)c1ccccc1)CC	PC-id_46576729	433.549	CKNMKFHMJXBVEM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-130960
C1C#Cc2c(C=C1C(CCC1C(CC(C1CCCCCCC(=O)O)O)O)O)ncs2	PC-id_91087403	433.561	AFDOBUJPIYJIIX-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-130961
c1(NC(=O)C2C3CCC(C3)C2C(=O)O)sc2c(CCCCCCC2)c1C(=O)OCC	PC-id_3355163,MCULE-6599796504,TIMTEC508551,EMOLS-id_4119078	433.561	VRBIPJVKMDFXNW-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130962
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCC2	PC-id_98294255,ZINC22_102258984	433.561	VRBIPJVKMDFXNW-ZZCKCESHSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130963
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCC2	PC-id_98294256,ZINC22_102258990	433.561	VRBIPJVKMDFXNW-USJZOSNVSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130964
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCC2	ZINC22_239235265	433.561	VRBIPJVKMDFXNW-DFEHZGFQSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130965
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCC2	ZINC22_239235266	433.561	VRBIPJVKMDFXNW-LBTBCDHLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130966
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCCC2	CoCoCo_6813708	433.561	VRBIPJVKMDFXNW-DACLVMHWSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130967
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCC2	CoCoCo_6813709	433.561	VRBIPJVKMDFXNW-IHETXDGRSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130968
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCC2	CoCoCo_6813710	433.561	VRBIPJVKMDFXNW-IDCJVQTKSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130969
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCCC2	CoCoCo_6813711	433.561	VRBIPJVKMDFXNW-JFTQMJAMSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130970
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCC2	CoCoCo_6813713	433.561	VRBIPJVKMDFXNW-MJSCVDMRSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130971
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCC2	CoCoCo_6813714	433.561	VRBIPJVKMDFXNW-LTCOOKNTSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130972
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCC2	ZINC22_17098567,CoCoCo_6813712,PC-id_27527140	433.561	VRBIPJVKMDFXNW-NONVJHHQSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130973
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCC2	ZINC22_17098568,PC-id_27527142,CoCoCo_6813707	433.561	VRBIPJVKMDFXNW-BODMPHMZSA-N	00000010100010000100000000000110000000000000000000000000	31-01-130974
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCCCCC2)c1C(=O)OC	CoCoCo_5816306,PC-id_1741484,TIMTEC358542,EMOLS-id_4119094,ZINC22_2082286,MCULE-8566858433,SPECS-id_AK-968/12096274	433.562	OLPSHNIMMWLYFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130975
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)c1ccccc1)C(=O)OC(C)C	PC-id_4208153	433.562	DHIAROAZPOXKBH-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-130976
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(cc1)c1ccccc1)C(=O)OCCC	PC-id_5068860	433.562	LOPYSMNEBSLOQY-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-130977
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(Cc2ccccc2)cc1)C(=O)OCC	PC-id_4072905	433.562	LBHNGCPTRKTWIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130978
s1c2c(CCCCC2)c(c1NC(=O)C(c1ccccc1)c1ccccc1)C(=O)OCC	PC-id_3352157	433.562	RWVGGQGBHHYSQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130979
s1c2c(CCCCC2)c(c1NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_4088152	433.562	KWGBCMQGSWBRPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130980
s1c2c(CCCCCC2)c(c1NC(=O)c1ccc(cc1)c1ccccc1)C(=O)OCC	PC-id_4692410	433.562	WTYQKFKIBWKHCR-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-130981
Cc1ccc(cc1)C(=O)c1c(C)c(c2-c1ccccc2)Cc1scc(n1)c1ccccc1	PC-id_139814865	433.564	UXSVMPLFAWAWTD-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-130982
c1(NC(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)sc2c(CCCCC2)n1	MCULE-5358597541,EMOLS-id_335038959	433.566	HALWPEZVKCARFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130983
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3sccc23)cc1	BindingDB_PC-id_44386548,PC-id_44386548,CHEMBL369712	433.566	OEFAJMDMCVQKRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130984
CC(C)c1ccc2-c(c(cc2CCC/C=N/N=C(S)/Nc2ccccc2)C(=O)O)cc1	PC-id_44291664,CHEMBL1205052	433.566	DFYBUEQWLPDVMB-CVKSISIWSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130985
CCN(c1ccccc1)CC(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709954	433.566	GXSCQRXMXDMPRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-130986
CNc1ccc(cc1)C(=O)N1CCc2cc(sc2C/C=CC=C/C1=C)C(=O)NC1CC1	PC-id_144119835	433.566	BFDCFSBOASGEED-GLIMQPGKSA-N	00100000100000110110000000000010000000000000000000000000	31-01-130987
S=C(NN=CCCCc1c2-c(c(c1)C(=O)O)ccc(C(C)C)cc2)Nc1ccccc1	PC-id_74971968	433.566	DFYBUEQWLPDVMB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-130988
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2c(s1)CCCCC2	ZINC22_9950221,PC-id_16325161,EMOLS-id_3567778,MCULE-2256013612,CoCoCo_3347576	433.567	CUJNBUZHDHKUKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130989
s1c2CCCCCc2c(c1NC(=O)C[NH2+]C(c1ccc(S(=O)(=O)N)cc1)C)C#N	PC-id_74744552	433.567	IEDRLTLGDZPALK-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-130990
s1c2CCCCCc2c(c1NC(=O)C[NH2+][C@H](c1ccc(S(=O)(=O)N)cc1)C)C#N	PC-id_41048118	433.567	IEDRLTLGDZPALK-ZDUSSCGKSA-O	00000000100000110100000000000010000000000000000000000000	31-01-130991
s1c2CCCCCc2c(c1NC(=O)C[NH2+][C@@H](c1ccc(S(=O)(=O)N)cc1)C)C#N	PC-id_41048121	433.567	IEDRLTLGDZPALK-CYBMUJFWSA-O	00000000100000110100000000000010000000000000000000000000	31-01-130992
s1c2c(CCCCC2)c(c1NC(=O)CSc1ncnc2sccc12)C(=O)OC	PC-id_4443398	433.567	OUORVWQEAQNYEQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-130993
s1c2CCCCCc2nc1NC(=O)c1ccc(NS(=O)(=O)c2sccc2)cc1	PC-id_24611849	433.567	QEDLCDIQWQLMHG-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-130994
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccccc3OCC=C)CCn12	PC-id_45222374,MCULE-1699321281,ChEMBL-DNDi_CHEMBL57290068,EMOLS-id_20624505	433.568	DPIDPORRTABEJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130995
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(CC=Cc3ccc(cc3)OC)CCn12	MCULE-2746487242,PC-id_74493929	433.568	VZTRCSUMDNCWGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130996
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(CC=Cc3ccccc3OC)CCn12	PC-id_74804195,MCULE-6816552930	433.568	KQHNTQRWJXMLFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130997
C=CCOc1ccccc1CN1CCc2nnc([C@@H](NS(=O)(=O)C)C(C)C)n2CC1	CoCoCo_1454700,PC-id_26325403,ZINC22_14965795,CoCoCo_1454699	433.568	DPIDPORRTABEJH-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130998
C=CCOc1ccccc1CN1CCc2nnc([C@H](NS(=O)(=O)C)C(C)C)n2CC1	PC-id_26325400,ZINC22_14965791,CoCoCo_1454698,CoCoCo_1454697	433.568	DPIDPORRTABEJH-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-130999
COc1ccccc1/C=C/CN1CCc2nnc([C@H](NS(=O)(=O)C)C(C)C)n2CC1	CoCoCo_1335068,ZINC22_12190205,PC-id_42451167,CoCoCo_1335070	433.568	KQHNTQRWJXMLFM-FHVRUZERSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131000
COc1ccccc1/C=C/CN1CCc2nnc([C@@H](NS(=O)(=O)C)C(C)C)n2CC1	PC-id_42451165,CoCoCo_1335074,ZINC22_12190204,CoCoCo_1335072	433.568	KQHNTQRWJXMLFM-JCOOBLOPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131001
COc1ccccc1/C=C/CN1CCc2nnc(C(NS(=O)(=O)C)C(C)C)n2CC1	PC-id_45203567,EMOLS-id_26003507,ChEMBL-DNDi_CHEMBL37113456	433.568	KQHNTQRWJXMLFM-VQHVLOKHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131002
COc1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2[C@@H](C(C)C)NS(=O)(=O)C	CoCoCo_1197466,CoCoCo_1197468	433.568	VZTRCSUMDNCWGS-KKHYBRAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131003
COc1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2[C@H](C(C)C)NS(=O)(=O)C	CoCoCo_1197472,CoCoCo_1197470	433.568	VZTRCSUMDNCWGS-PRPIBZDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131004
COc1ccccc1/C=CCN1CCn2c(CC1)nnc2[C@@H](C(C)C)NS(=O)(=O)C	CoCoCo_1335069,CoCoCo_1335067	433.568	KQHNTQRWJXMLFM-YHAGJJCESA-N	00000000100000110101000000000010000000000000000000000000	31-01-131005
COc1ccccc1/C=CCN1CCn2c(CC1)nnc2[C@H](C(C)C)NS(=O)(=O)C	CoCoCo_1335071,CoCoCo_1335073	433.568	KQHNTQRWJXMLFM-XOYLTFLUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131006
COc1ccc(/C=C/CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	CoCoCo_1197467,ZINC22_14880600,PC-id_26276398,CoCoCo_1197469	433.568	VZTRCSUMDNCWGS-RRFGBZISSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131007
s1c2c(CCCCC2)c(c1NC(=O)CCSc1ccc(OC)cc1)C(=O)OCC	PC-id_41324926	433.584	SGYOVRYHVHYBKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131028
COc1ccc(/C=C/CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	ZINC22_14880598,CoCoCo_1197471,CoCoCo_1197473,PC-id_26276396	433.568	VZTRCSUMDNCWGS-XJDXJNMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131008
COc1ccc(/C=C/CN2CCc3nnc(C(NS(=O)(=O)C)C(C)C)n3CC2)cc1	EMOLS-id_25993523,ChEMBL-DNDi_CHEMBL18657145,PC-id_45181485	433.568	VZTRCSUMDNCWGS-AATRIKPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131009
S(=O)(=O)(N(CC)CC)c1c(ccc(c1)C(=O)NCCc1n2CCCCCc2nn1)C	PC-id_55501230	433.568	YNCYALOJHTXVHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131010
S(=O)(=O)(NC(C)(C)C)c1cc(C(=O)NCCc2n3CCCCCc3nn2)c(cc1)C	PC-id_55535454	433.568	WUFZVSJPMAMTGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131011
C1CN(CCN1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)NC1Cc2ccccc2C1	PC-id_89125964	433.569	MLASEFGSDJZVMK-UHFFFAOYSA-N	00000010100010100111000000001010000000000000000000000000	31-01-131012
CCCSc1nc2c(n1Cc1ccc(cc1)C(=O)Nc1ccccc1N)NCC=CC2	PC-id_143247637	433.569	NBBWVMLVWBAEMI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131013
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1cnn(c2ccccc2)c1	ZINC22_9777892,CoCoCo_4234656,PC-id_41207919,CoCoCo_4234657	433.569	XNMFRMSHTUOKDR-KRWDZBQOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131014
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1cnn(c2ccccc2)c1	ZINC22_9777896,CoCoCo_4234659,CoCoCo_4234658,PC-id_41207921	433.569	XNMFRMSHTUOKDR-QGZVFWFLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131015
CCSc1nc2c(n1Cc1ccc(cc1)C(=O)Nc1ccccc1N)NCCC=CC2	PC-id_143247668	433.569	LJRITBRDRSBTTF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131016
N#Cc1c(NC(=O)C(N(Cc2cnn(c2)c2ccccc2)C)C)sc2c1CCCCC2	PC-id_16330374,MCULE-1697656024,EMOLS-id_11767393	433.569	XNMFRMSHTUOKDR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131017
O=C(c1sc2c(c1)C/N=C(N=C/C/C=C)/NC1Cc2c(C1)cccc2)N1CCNCC1	SCHEMBL13592056	433.569	MLASEFGSDJZVMK-SKDYZTTBSA-N	00000010100010100111000000001010000000000000000000000000	31-01-131018
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)CCc1cccnc1	PC-id_42171230	433.569	IHTGTMUAANJWKQ-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-131019
s1c2c(CCCCC2)c(c1NC(=O)CN1CCCN(CC1)c1ccc(cc1)C#N)C#N	PC-id_55851470	433.569	RUNBPMWTFZABQP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131020
s1c2c(CCCCC2)c(c1NC(=O)CN1CCCN(CC1)c1c(cccc1)C#N)C#N	PC-id_60510871	433.569	HPARFSOJNWBPKB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131021
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C#N)C#N	PC-id_46802323	433.569	MOPXVXFMGHIDFR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131022
CCNC(=NCc1nnc2n1CCCCC2)NC(c1sc(c(n1)C)C(=O)OCC)C	PC-id_109695329	433.571	ILLVVIMYXPGWJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131023
CCOC(=O)c1sc(nc1C)C(NC(=NC)NCCc1nnc2n1CCCCC2)C	PC-id_109695353	433.571	RZRYSUUQNHVPHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131024
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1c(n[nH]c1=S)c1sccc1	PC-id_24554118	433.571	BZBZKDAXZAQGPN-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-131025
S(c1n(C2CCCC2)c(nn1)CCCNC(=O)Cn1nc2n(CCCCC2)c1=O)C	PC-id_55911581	433.571	PNVBJLQZHDBDHM-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-131026
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2CCCCCc2s1	MCULE-6173025708,EMOLS-id_323466078	433.587	JGMYTPMWIMADHX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131029
CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCCCC4)cc2)CC1	PC-id_16310187,CoCoCo_4044051,MCULE-7345959825,EMOLS-id_3608903,ZINC22_13113190	433.587	ROVSPKKQABAJIJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131030
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(cc(n1)C)C)C(=O)OCC	PC-id_23917528	433.587	ZFCWFXWXIIOTTQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131031
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1nc(cc(n1)C)C)C)C(=O)OCC	PC-id_23772401	433.587	SKHVAXGGBSBATP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131032
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1occc1)C(=O)OC	PC-id_20176394	433.587	SAWAHQIBPGALAR-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-131033
s1c2CCCCCc2nc1NC(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1	PC-id_16605130	433.587	DOCNZUPAOICJGC-NTCAYCPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131034
s1c2CCCCCc2nc1NC(=O)C=Cc1ccc(S(=O)(=O)N(CC)CC)cc1	PC-id_73279188	433.587	DOCNZUPAOICJGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131035
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@H](NC(=O)c1sccc1)C(C)C	PC-id_30754596	433.587	SIUJTOBHEPQXSN-GOSISDBHSA-N	00000000100100000100000000000010000000000000000000000000	31-01-131036
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)c1sccc1)C(C)C	PC-id_30754599	433.587	SIUJTOBHEPQXSN-SFHVURJKSA-N	00000000100100000100000000000010000000000000000000000000	31-01-131037
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(NC(=O)c1sccc1)C(C)C	PC-id_85475950	433.587	SIUJTOBHEPQXSN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-131038
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(cc(n1)C)C)C(=O)OC	PC-id_23833318	433.587	VHBDBCOHEYDVBS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131039
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1nc(cc(n1)C)C)C)C(=O)OC	PC-id_24108311	433.587	NANMXNDBUPYLAK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131040
s1c2c(CCCCCC2)c(c1NC(=O)CSc1nc(cc(n1)C)C)C(=O)OCC	PC-id_4148200	433.587	CULTWWILIDUPAN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131041
S1(=O)(=O)CCN(CC1)C(c1ccccc1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56506498	433.587	QYMNYDRHFMBQPN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131042
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCCc2n1)c1ccccc1	PC-id_56022108	433.587	TYDBQFYLSBPRBR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131043
S(=O)(=O)(NC1CC1)c1ccc(cc1)CCC(=O)Nc1sc2CCCCCCc2n1	PC-id_56021724	433.587	XFSUWIGGMRQVDW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-131044
O=C(NCCc1n2CCN(CC3=CCC4C(C3C4)(C)C)CCc2nn1)c1ccc(cc1)C	PC-id_74799272	433.589	RYSKLRQRBLPVPU-UHFFFAOYSA-N	00001000100011110101001000000010000000000000000000000000	31-01-131045
O=C(NCCc1n2CCN(CC3=CC[C@@H]4C([C@H]3C4)(C)C)CCc2nn1)c1ccc(cc1)C	PC-id_42362263	433.589	RYSKLRQRBLPVPU-VXKWHMMOSA-N	00001000100011110101001000000010000000000000000000000000	31-01-131046
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cc4c(cccc4)s3)CCn12	EMOLS-id_232779701,MCULE-8162240032,PC-id_45167338	433.591	HJJAFWWWFZKAOV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-131047
Cc1ccc(cc2-c1c(C=C[CH+]c1cc(c3-c1c(C)ccc(c3)C(C)C)C)cc2C)C(C)C	PC-id_119077995	433.647	TXEXCRIWYPZXBU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-131067
Cc1cc2c(s1)SCC[N+](C2=O)(CCCCN1CCN(CC1)c1ncccn1)[O-]	PC-id_88496777,SCHEMBL9668307	433.591	OAVATNWKVKYDBP-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-131048
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	ZINC22_12123594	433.591	HJJAFWWWFZKAOV-LJQANCHMSA-N	00000000100000100101000001000010000000000000000000000000	31-01-131049
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	ZINC22_12123604	433.591	HJJAFWWWFZKAOV-IBGZPJMESA-N	00000000100000100101000001000010000000000000000000000000	31-01-131050
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)NC(=O)OC(C)(C)C	PC-id_111730509	433.591	VFJQLKLJSIPQGM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-131051
CN=C(NC1CCCN(C1)C(=O)OC(C)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_112077220	433.591	BPDJRMJCRVBTAB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131052
S1(=O)CCN(CCCCN2CCN(CC2)c2ncccn2)C(=O)c2c1sc(c2)C	PC-id_19881135	433.591	FSUBNFRPRDFVTR-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-131053
CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	CoCoCo_1160782,ZINC22_11842562,PC-id_42214686	433.604	WQTVUWDMWJXVPJ-IBGZPJMESA-N	00000000100010000100000000000010000000000000000000000000	31-01-131054
CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)c2cc3c(s2)CCCCC3)CC1	ZINC22_11842563,CoCoCo_1160783,PC-id_42214687	433.604	WQTVUWDMWJXVPJ-LJQANCHMSA-N	00000000100010000100000000000010000000000000000000000000	31-01-131055
CCOC(=O)C1(CCN(CC1)C(=O)c1cc2c(s1)CCCCC2)CC1CCCCO1	PC-id_45175384,MCULE-8818737778,EMOLS-id_20421505	433.604	WQTVUWDMWJXVPJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-131056
CCCC1CCc2c(C=C1C(=O)c1cn(c3c1cccc3)CC1CCOCC1)ccs2	PC-id_144233523	433.606	VOHGKHCSPZAMLV-UHFFFAOYSA-N	00000000100010100110000001100010000000000000000000000000	31-01-131057
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)CC(C)C)CCn12	PC-id_45198316,EMOLS-id_20521323,ChEMBL-DNDi_CHEMBL32183811,MCULE-2531822651	433.611	RDOKXPBQCDIMRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131058
CC(C)Cc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	CoCoCo_1302230,CoCoCo_1302229,ZINC22_20783478,PC-id_29153230	433.611	RDOKXPBQCDIMRU-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131059
CC(C)Cc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	ZINC22_20783481,CoCoCo_1302227,PC-id_29153231,CoCoCo_1302228	433.611	RDOKXPBQCDIMRU-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131060
S=c1n(nc2n1CCCCC2)C[NH+]1CC[NH+](CC1)Cc1c(cc(OC)c(OC)c1)C	PC-id_9284887	433.611	QNPPKZKJRBVBMZ-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-131061
S=c1n(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2n1CCCCC2	PC-id_30726311,EMOLS-id_24161086,CoCoCo_3443232,CoCoCo_3443233,ZINC22_22917991,MCULE-3425109694	433.612	YHSAPXNAKXQBDK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131062
CC=C(C)C1=CC(=CCCn2cccc2CCN(C(=O)CN1)CC1CC(=CC(=C)C1)C)C	PC-id_90897447	433.629	PSWPEERRDDWKJF-UHFFFAOYSA-N	00000000100011000111000000000010000000000000000000000000	31-01-131063
CCC(C(N1CCOCC1)CNC(=NC)NCCCc1nnc2n1CCCCC2)CC	PC-id_111936429	433.634	DBQNOVXHHGPQRD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131064
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)CCOC(C)C	PC-id_112083471	433.634	YMIGTBSYPUMTDV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131065
CCNC(=NCC(N1CCOCC1)CC(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111935441	433.634	QLVAVAZJEJDNAD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131066
c1(NC(=O)CCC(=O)NC2CCCCCCCCCCC2)sc2c(CCCCC2)n1	EMOLS-id_335054304,MCULE-6113061477	433.65	DMEGGQJXWOZWPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131068
C=C1NC(=C)C(C)(C)C(=C)NC(=C)C(C)(C)c2[nH]c(C(/C(=C/C=C/C1(C)C)/C)(C)C)cc2	PC-id_142216802	433.672	CMDJXCBNVSEGGD-JSAVKQRWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-131069
CN1C(=CC=Cc2sc3c([n+]2C)CCC[N+](C3)(C)C)SC2=C1CCC[N+](C2)(C)C	PC-id_58675735,SCHEMBL3941647	433.697	DDPVAZUWDFRRPN-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-131070
CCCCCCCCCC/C=C
/CCCCCCCCc2cc1cn2Cc1ccccc1	PC-id_101002424	433.712	LMHZFEHLZXKVTF-IADYIPOJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131071
n1(c2CCCCCCCCC(=CCCCCCCCCCC)c(c2)c1)Cc1ccccc1	PC-id_10717667	433.712	LMHZFEHLZXKVTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131072
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)c([N+](=O)[O-])cc1	PC-id_35686931	433.865	RAVUXUJKNCOFQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131073
Clc1c(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc([N+](=O)[O-])c1	PC-id_41784425	433.865	VMZLAOXZOVJWKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131074
N#Cc1c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCCC2	EMOLS-id_3282929,PC-id_4002639,CoCoCo_3036425,MCULE-2162181327,ZINC22_9510263	433.865	CLESEMNLIUTUCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131075
Clc1c(CN2CCn3c(nnc3CNC(=O)C3CCOC3)CC2)cc2OCOc2c1	PC-id_45167451	433.889	FGXAJSKFNUKSNS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-131076
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)C(=O)NCc1ccc(Cl)cc1	CHEMBL37650,PC-id_11797065,BindingDB_PC-id_11797065	433.889	CEZUBTIRYSPQFO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131077
Fc1ccc(CN2CCc3nc(sc3CC2)C(=O)Nc2ccc(Cl)cc2)cc1F	EMOLS-id_313727958,ZINC22_2055713714	433.902	BFUWPQNHSBLUTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131078
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1cc(F)c(cc1Cl)C)C	SCHEMBL19702844	433.904	XJNVEDIXRPIQHV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131079
COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_2969175,PC-id_17550204,MCULE-8156080839,EMOLS-id_11922303,ZINC22_9691317	433.908	KLXBCEROEOSCAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131080
CC(CC(c1nnc2n1CCN(CC2)Cc1cc2OCOc2cc1Cl)NC(=O)C)C	ChEMBL-DNDi_CHEMBL15441019,PC-id_45176712	433.932	NDZIEFXQHJIOQC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-131081
CCC(C)C(=O)NCc1nnc2CCN(CCn12)C(=O)COc1ccc(Cl)cc1C	EMOLS-id_20665375,MCULE-4822801399,PC-id_45232130	433.932	FXRIQRYPASKOPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131082
CC(C[C@H](c1nnc2n1CCN(CC2)Cc1cc2OCOc2cc1Cl)NC(=O)C)C	CoCoCo_1168636,CoCoCo_1168635	433.932	NDZIEFXQHJIOQC-QGZVFWFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-131083
CC(C[C@@H](c1nnc2n1CCN(CC2)Cc1cc2OCOc2cc1Cl)NC(=O)C)C	CoCoCo_1168638,CoCoCo_1168637	433.932	NDZIEFXQHJIOQC-KRWDZBQOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-131084
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(C(=O)COc1ccc(Cl)cc1C)CC2	ZINC22_12329176,CoCoCo_1517367	433.932	FXRIQRYPASKOPA-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131085
CC[C@H](C)C(=O)NCc1nnc2n1CCN(C(=O)COc1ccc(Cl)cc1C)CC2	ZINC22_12329181,CoCoCo_1517368	433.932	FXRIQRYPASKOPA-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131086
CCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1cc2OCOc2cc1Cl)C(C)C	CoCoCo_1179115,CoCoCo_1179116	433.932	ZWRPVSVENROUBN-HXUWFJFHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-131087
CCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1cc2OCOc2cc1Cl)C(C)C	CoCoCo_1179117,CoCoCo_1179118	433.932	ZWRPVSVENROUBN-FQEVSTJZSA-N	00000010100000100101000000001010000000000000000000000000	31-01-131088
Clc1ccc(C(N2CCOCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56163007	433.932	LSEVYCBTERBYLE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131089
Clc1c(CN2CCn3c(nnc3CC2)C(NC(=O)CC)C(C)C)cc2OCOc2c1	PC-id_45178448	433.932	ZWRPVSVENROUBN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-131090
Clc1ccc(cc1)C(=O)NC(Cc1c[nH]c2ccccc12)c1nnc2CCCCCn12	CHEBI:109679,BindingDB_PC-id_4249305,PC-id_4249305,EMOLS-id_2928887,BindingDB-id_107563,CHEMBL1399207,MCULE-3648224693	433.933	VZZWBMBAXOFQMQ-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-131091
Clc1c(C(=O)NC(c2n3CCCCCc3nn2)Cc2c3c([nH]c2)cccc3)cccc1	EMOLS-id_42697677,PC-id_4300292,MCULE-1981042096,ChEMBL-DNDi_CHEMBL1520743,CHEMBL1520743	433.933	BUJTZUJOKDKHSJ-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-131092
O=C(N[C@@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccccc1Cl	ZINC22_3192023	433.933	BUJTZUJOKDKHSJ-NRFANRHFSA-N	00000000100000110101000001100010000000000000000000000000	31-01-131093
O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccccc1Cl	ZINC22_3192025	433.933	BUJTZUJOKDKHSJ-OAQYLSRUSA-N	00000000100000110101000001100010000000000000000000000000	31-01-131094
O=C(N[C@@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccc(Cl)cc1	CoCoCo_3735178,ZINC22_3189754,PC-id_2320071	433.933	VZZWBMBAXOFQMQ-NRFANRHFSA-N	00000000100000110101000001100010000000000000000000000000	31-01-131095
O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccc(Cl)cc1	ZINC22_3189756,CoCoCo_3735179,PC-id_2320072	433.933	VZZWBMBAXOFQMQ-OAQYLSRUSA-N	00000000100000110101000001100010000000000000000000000000	31-01-131096
Cc1ccc(cc1)S(=O)(=O)NC=C(c1ccc2-c1ccccc2)c1ccc(cc1)Cl	PC-id_142734108	433.95	XPAGEPDHDRMBAN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-131097
Clc1cccc(c1)C(=CNS(=O)(=O)c1ccc(cc1)C)c1ccc2-c1ccccc2	PC-id_142734126	433.95	PKAUICCFCBDYME-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-131098
Clc1ccc(C(NC(=O)C)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_55487419	433.952	WGNBWARCBGJRFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131099
Clc1ccc(C(=O)NCCCC(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	EMOLS-id_23687724,CoCoCo_3430036,MCULE-5542069864,PC-id_29911373	433.952	VWPSRGXRDMKLHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131100
Clc1ccccc1c1ccc(o1)C[N@@H+]1CCc2n(CC1)c(nn2)CCc1ccccc1	GD-id_ZINC11841684	433.953	JPBVEKJIBDMRMK-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-131101
Clc1cccc(c1)c1ccc(o1)C[N@H+]1CCn2c(CC1)nnc2CCc1ccccc1	GD-id_ZINC11996513	433.953	LSJHTESIOUWSDW-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-131102
Clc1c(nc(N2CCCC2)nc1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_52640613	433.955	IZGHGEXJKBARQJ-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-131103
Clc1ccc(n2c(C[NH+]3CCn4c(nnc4CCc4ccccc4)CC3)ccc2)nc1	PC-id_42422574	433.956	RHQOSNQWCNSOOY-UHFFFAOYSA-O	00000000110000111101100000000010000000000000000000000000	31-01-131104
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(Cl)c2c(cccc2)s1	MCULE-1266328359,TIMTEC274439,ZINC22_2767613,PC-id_2168629,CoCoCo_6794502,EMOLS-id_2440494	433.971	KVQYUUCUTOWZTF-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-131105
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(Cl)c2c(cc(cc2)C)s1	MCULE-5324347623,EMOLS-id_2446596,TIMTEC85886,ZINC22_2748646,CoCoCo_907839,PC-id_2165545	433.971	BTHZOFNVEUTWNT-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-131106
c1(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(Cl)c2c(cccc2)s1	CoCoCo_5820899,ZINC22_2085934,EMOLS-id_4119428,TIMTEC555564,PC-id_1744261,SPECS-id_AK-968/12971208,MCULE-7721717795	433.971	XROMYIWJNPLUOV-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-131107
CCc1[nH]c2=CCC(=CC(=c2c1Cl)C(C1=CCCC(C1)N)C)Oc1cccc(c1)C#N	PC-id_144154887	433.973	KJALEGVLYKHKBU-UHFFFAOYSA-N	00000000100011110110000000000010000000000000000000000000	31-01-131108
Clc1ccc(cc1)NC(=O)C1=C(Cc2ccc(cc2)C(C)(C)C)c2cncn2CCC1	SCHEMBL4158511,PC-id_25213791	433.973	LHVSHSZRNOVYMB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131109
Clc1ccc(OCc2scc(n2)CC(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_46696536	433.975	OZGLBAVQXMPXDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131110
CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2nnc3n2CCCCC3)cs1	CoCoCo_3081510,MCULE-9528354110,PC-id_16382051,ZINC22_9218622,EMOLS-id_43775482	433.978	SDFRJTBCFHNWMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131111
Clc1sc(S(=O)(=O)N(CC(=O)Nc2sc3CCCCCCc3n2)C)cc1	PC-id_56022491	433.996	VBHJXCLEGPKEJP-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-131112
Clc1cc2nc(SCC(=O)Nc3sc4CCCCCc4c3C#N)sc2cc1	PC-id_5008470	433.998	SLXQSJBQVYIMTO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-131113
Clc1ccc(CSCC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_46534037	433.998	YXVJEJRHBDHFSL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131114
Clc1cc(CSCC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc1	PC-id_46692000	433.998	SFDSISGHNJXIAU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131115
O=C1C=CC(=O)Oc2n(O1)cc(n2)Cc1scc(c1Br)Br	PC-id_140380184	434.06	KKQPMTCHTHBQPX-UHFFFAOYSA-N	00000000100100000111000000000010000000000000000000000000	31-01-131116
CC1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C(C=C)O	PC-id_155062003	434.106	VFBQECQSSWWQDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131117
C[C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)[C@@H](C=C)O	PC-id_154682216	434.106	VFBQECQSSWWQDV-BEFAXECRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131118
C[C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)[C@H](C=C)O	PC-id_155061954	434.106	VFBQECQSSWWQDV-KXBFYZLASA-N	00000000100000110101000000000010000000000000000000000000	31-01-131119
C[C@@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)[C@H](C=C)O	PC-id_155257979	434.106	VFBQECQSSWWQDV-HNAYVOBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131120
C[C@@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)[C@@H](C=C)O	PC-id_155257984	434.106	VFBQECQSSWWQDV-DNVCBOLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131121
CC(C1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C)O	PC-id_155062062	434.106	KZPAVKZIJWGPPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131122
CC(C=C)(C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155062058	434.106	ZUGWFIXDXBFBDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131123
C[C@](C=C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682043	434.106	ZUGWFIXDXBFBDZ-BEFAXECRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131124
CC(C=C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155062072	434.106	ZUGWFIXDXBFBDZ-NYRJJRHWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131125
C[C@@](C=C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155062080	434.106	ZUGWFIXDXBFBDZ-DNVCBOLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131126
C[C@@](C=C)([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155257981	434.106	ZUGWFIXDXBFBDZ-HNAYVOBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131127
CC(C=C)([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155257982	434.106	ZUGWFIXDXBFBDZ-FUKCDUGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131128
C[C@H]([C@@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C)O	PC-id_154681998	434.106	KZPAVKZIJWGPPZ-WYRIXSBYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131129
C[C@@H]([C@@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C)O	PC-id_155061973	434.106	KZPAVKZIJWGPPZ-WLRWDXFRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131130
C[C@H]([C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C)O	PC-id_155257938	434.106	KZPAVKZIJWGPPZ-NSPYISDASA-N	00000000100000110101000000000010000000000000000000000000	31-01-131131
C[C@@H]([C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C)O	PC-id_155257999	434.106	KZPAVKZIJWGPPZ-JEOXALJRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131132
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@H](CC=C)O	PC-id_154682154	434.106	WOFHADCKJNSKDW-CABCVRRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-131133
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@@H](CC=C)O	PC-id_154682175	434.106	WOFHADCKJNSKDW-HUUCEWRRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131134
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)[C@H](CC=C)O	PC-id_155258001	434.106	WOFHADCKJNSKDW-GJZGRUSLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131135
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)[C@@H](CC=C)O	PC-id_155258011	434.106	WOFHADCKJNSKDW-LSDHHAIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131136
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)C(CC=C)O	PC-id_154682328	434.106	WOFHADCKJNSKDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131137
C1CN(CC2=CC(=NN2C1)C(=O)O)C=CNC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F	PC-id_152021007	434.118	UKSKCUYYQYBYNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131138
CC(C)[C@H]1CC2=C(N(C=C2S(=O)(=O)N[C@@H]1CO)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_165164762	434.142	VXBFESCYYIIUBZ-RHSMWYFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131139
CC(C)NS(=O)(=O)N1CCCCC2=C(N(N=C21)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_153177389	434.154	WFLWGLNKSXRTTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131140
Cc1nn2CC[C@@H](C(=O)N(c2c1)C)NC(=O)c1ncc2CO[C@@](c2n1)(C)CC(C)(F)F	PC-id_163539538	434.188	DZXWEJFKSNWCKY-DJJJIMSYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-131141
Brc1sc(cc1Br)CNC(c1nnc2n1CCCCC2)C	PC-id_102833962	434.193	VPDFKVGYGGXJHI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-131142
CCC1=NC(=CS1)C(=O)OCCCC2=NN(C3=C2CCCOCCCNC3=O)CC	PC-id_155171395	434.199	BHCVUTHCLDVQHS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131143
Brc1cc(F)c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)cc1	PC-id_19527323	434.226	NJQYAMLHOBVJCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131144
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3CCN(C3)C(=O)C	PC-id_155203869	434.253	VUSJWFFHRVZHDJ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-131145
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCOC(=O)C3CCN(CC3)C(=O)C	PC-id_155203715	434.253	SXMIYRFXHXOVMI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131146
CC(C)C(C(=O)CC1CC2=CN(CCCNC(=O)C1=O)N=C2)NC(=O)OCC(C)(C)C	PC-id_160391496	434.253	QEDZYMYWIMGMMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131147
CC1=C(NC(C2=NN=C(N12)C)(C)C)/C=C(C(=C)C3=CC=CC4=C(C3)C=CN4CCNC)/F	PC-id_153394813	434.259	XCQDIPVMYKIYFF-RCCKNPSSSA-N	00000000100011000111000000010010000000000000000000000000	31-01-131148
C[C@H]1CCCN2C1=NC=C2C[C@H]3CCCCN4C3=NC=C4C[C@H]5COCCN6C5=NC=C6	PC-id_155019796	434.279	ROYYBDOFFQJSRQ-ZCNNSNEGSA-N	00000000100010000101000000010010000000000000000000000000	31-01-131149
Brc1cc2cc(oc2cc1)CCOC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55762340	434.284	WPKDGJLVSZMMQW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-131150
CC1C=CC(=CC2=C1/C(=C/C=C/C3=CC(=C4C3=C(C=CC(=C4)C(C)C)C)C)/C=C2C)C(C)C	PC-id_162273923	434.297	PFUSMBKLRXQWIC-NSNHTQMXSA-N	00000011100000000110000000000110000000000000000000000000	31-01-131151
CC(C)(C)C(C(=O)N)NC(=O)c1c2CN(CCCn2c(n1)CCCN1CCOCC1)C	PC-id_163615602	434.301	HJSVDGREPKTJHD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131152
Brc1ccc2C(=O)N(CC(=O)Nc3nc4CCCCCc4s3)C(=O)c2c1	MCULE-7014598056,EMOLS-id_334602620	434.307	JLILFKGAFBZWSC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-131153
N#Cc1c(NC(=O)COC(=O)c2cncc(Br)c2)sc2c1CCCCC2	PC-id_2365386,ZINC22_3248202,MCULE-1065765864,EMOLS-id_3103627,CoCoCo_2920607	434.307	AOLNXNNJPMRLBZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-131154
[B]c1cc(cc2c1NC(=O)C2=Cc1c(c2c([nH]1)CCCN(C2=O)CCN(CC)CC)C)F	PC-id_89099111	434.314	XVRUOUQOFRUURC-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-131155
Clc1c(n2nc(nc2CC)C(=O)NCc2n3CCCCCc3nn2)c(Cl)ccc1	PC-id_56267333	434.322	XBDMYNMBNKHPPU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131156
BrC1CCN(CC2OCCC2)c2n(ncc2C1=O)Cc1ccc(OC)cc1	SCHEMBL369171,PC-id_66668519	434.327	CRJHRYAYSMMFOA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131157
ClC1(Cl)C(C1)(C)C(=O)OCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_4660801	434.334	VMALFUGNPSBUDJ-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-131158
Brc1ccc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_4049223	434.347	SMWFIBGRFJVONW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131159
Brc1ccc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_5997666	434.347	SMWFIBGRFJVONW-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131160
Brc1ccc(cc1)N1C(=O)CC(C1=O)NCc1nc2c(s1)CCCCC2	PC-id_145924356	434.35	JPXIFCPTSPKOGF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-131161
C1CCc2c(CC1)sc(c2C(=O)OC)NS(=O)(=O)c1c(Cl)ccc(Cl)c1	MCULE-8541426273,CoCoCo_5886653,EMOLS-id_8837114,PC-id_19579229,ZINC22_2753316,TIMTEC306802	434.357	MFZFVBSRDUVINU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131162
Clc1nc(Cl)ccc1S(=O)(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_56251620	434.36	ZGDIPBPZGKZQEM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-131163
O=C1[C@H](COn2c(N1C)cc(c2)C(F)(F)F)NC(=O)c1nnc([nH]1)Cc1ccccc1	SCHEMBL19228445	434.372	PDNKPMNGGYGMAN-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131164
Brc1ccc(cc1)C(=O)NC(=S)Nc1sc2CCCCCc2c1C#N	BAS-00435422,ZINC22_2330693,STOCK2S-91712,EMOLS-id_1220746,PC-id_1945203,MCULE-8305716347,CoCoCo_70936	434.373	BTAZDFTZEIONBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131165
CCOC(=O)Oc1c2-c(c(c1NC(=O)C)OC(=O)OCC)ccc(cc2C)C(=O)NO	SCHEMBL8468648	434.397	VZYRFOMVPOQFCQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-131166
C1=CN(C(=O)/C(=C/c2cc(c(c(c2)C)OC)C)/c2c1nc(N(C(=O)C(F)(F)F)C)[nH]2)C	CHEMBL1277864	434.412	BEJAYEVNYHZFAQ-GXDHUFHOSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131167
Cc1c(c(no1)C)CN1CCc2c(CC1)oc(n2)C(=O)Nc1cccc(c1)C(F)(F)F	PC-id_134809547	434.412	PUGGOEKETNWWDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131168
FC(F)(F)C(=O)N(c1[nH]c2c(n1)C(=Cc1cc(c(OC)c(c1)C)C)C(=O)N(C=C2)C)C	PC-id_52948421	434.412	BEJAYEVNYHZFAQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131169
FC(F)(F)c1cc(n2nc(cc2NC(=O)Cn2nc3n(CCCCC3)c2=O)C)ccc1	PC-id_55583460	434.415	IMEIDWFTIYGPPM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131170
FC(F)(F)c1nn(c2ccc(CNC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)cc1	PC-id_56122826	434.415	ZDGMFNGVBZLXAJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131171
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)F)F	PC-id_19102885,SCHEMBL9338816	434.435	UIIRXVAZZUAYIM-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-131172
C[C@@H](c1nnc2n1CC[N@@H+](CC2)Cc1cccc(c1)C(F)(F)F)NC(=O)c1ccco1	GD-id_ZINC11996033	434.435	FAYHQOHACJHPIH-AWEZNQCLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-131173
Fc1c(C[NH+]2CCn3c(nnc3CNC(=O)c3c(oc(c3)C)C)CC2)c(F)ccc1F	PC-id_42368572	434.435	JDTCZFZFEDVYQY-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-131174
O=C(c1ccco1)NCCc1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)C(F)(F)F	GD-id_ZINC12027110	434.435	MDGFHGIJMQOSSH-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-131175
O=C(c1ccoc1)NCCc1nnc2n1CC[N@H+](CC2)Cc1ccccc1C(F)(F)F	GD-id_ZINC11788976	434.435	NUYBMEVJVXDGAB-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-131176
CCOC(=O)Cc1ccc2-c(cc1)c(c(c2OC(=O)OCC)OCC)OC(=O)OCC	SCHEMBL8472460,PC-id_17776028	434.436	ULOXXEQYKGLHLQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-131177
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCC(CO)O	PC-id_15411827,SCHEMBL6880737	434.44	IOMODWAXRVFYEI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-131178
OCCCON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)O	SCHEMBL6880745	434.44	MTJQUDCPXRFDFG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-131179
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OC[C@@H](NS2(=O)=O)C(C1CC1)O	SCHEMBL18352793	434.441	DIRMPMSTSFLJRT-XPCCGILXSA-N	00100000100000110101000000000010000000000000000000000000	31-01-131180
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OCC(NS2(=O)=O)C(C1CC1)O	PC-id_140762746	434.441	DIRMPMSTSFLJRT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-131181
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1ccc(cc1)OC(F)(F)F	MCULE-8267441146,CoCoCo_3538144,EMOLS-id_16675042,PC-id_25644323	434.453	QAFMSPKJAKDIPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131182
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(OC(F)(F)F)ccc1	PC-id_31777309	434.453	PXYQTCWCGXLOSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131183
CC(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20695993,PC-id_86270153	434.455	SLESKCCQYFFRCN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-131184
O=C(c1n(C)cc2c1OC[C@@H](NS2=O)CC1CC=CN=C1)Nc1ccc(c(c1)F)F	PC-id_139471130,SCHEMBL21337124	434.46	TZUHQCITZYCANP-XWMGPHCHSA-N	00000000100011110101000000000010000000000000000000000000	31-01-131185
CC(C(C(=O)NC1Cc2cnc(o2)CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109399,PC-id_138730247	434.466	VODXZNPNQATRGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131186
CC(C(C(=O)NC1Cc2ncc(o2)CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731450,SCHEMBL21110637	434.466	DGPLREHXXNOEDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131187
c1c(c2oc1[C@@H]([C@](CC(=O)C/C(=CC[C@H](C2)C(=C)C)/C(=O)OC)(O)C)OC)C(=O)OC	CMNPD31333	434.479	KLQQTOGAXMJWMI-FPSRZDIBSA-N	00000000100000000110000000000010000000000000000000000000	31-01-131188
C1(CC(=O)C/C(=CC[C@H](Cc2oc([C@H]1OC)cc2C(=O)OC)C(=C)C)/C(=O)OC)(O)C	CMNPD28193	434.479	KLQQTOGAXMJWMI-MSVPVJJVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-131189
O=C(OC)c1cc2oc1CC(C(=C)C)C/C=C(/C(=O)OC)CC(=O)CC(O)(C)C2OC	CNP0430773	434.479	KLQQTOGAXMJWMI-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-131190
O=C1NCCCn2cc(C(=O)N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc12	ZINC22_1875340941	434.484	AFANBEVSKZFZJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131191
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1OC)OC)c2)Cc1ccccc1	CoCoCo_2544520,MCULE-2624997739,EMOLS-id_16324642,PC-id_20964722	434.488	YPXOIWGMRGPDBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131192
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OC)c1)OC)c2)Cc1ccccc1	EMOLS-id_32846054,PC-id_50798105,MCULE-8957282566	434.488	AIBIXRXSIPSECX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131193
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(OC)c1OC)c2)Cc1ccccc1	MCULE-7059533080,EMOLS-id_32846060,PC-id_50798045	434.488	PREURQRXVXFCAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131194
c1(C(=O)Nc2c(OC)cc(c(OC)c2)NC(=O)c2ccccc2)c2CCCCCc2[nH]n1	MCULE-4393796017,EMOLS-id_335148222	434.488	XWAFELILQKHBHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131195
COc1ccc(c(c1)CNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)OC	MCULE-6835462854,PC-id_50798046,EMOLS-id_32846062	434.488	WBFPUMKLJIYQSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131196
Brc1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc(F)cc1	PC-id_46534043	436.321	PMSKZOIAXCDQBJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132012
COCc1ccc(cc1)C(=O)N1CCCn2ncc(C(=O)Nc3ccc(OC)cc3)c2C1	ZINC22_1565556633,EMOLS-id_313763528	434.488	YJQLSRCVOVOLIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131197
O=c1n2CCCCCc2nn1CC(=O)Nc1c(cc(cc1)c1ccccc1)C(=O)OCC	PC-id_56241525	434.488	HHAUWBWPFNXNPS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131198
O=C1OCCCN(c2c(CCC1)n(nn2)Cc1ccccc1)C(=O)OCc1ccccc1	PC-id_101428438	434.488	HXFKFMATXDMPMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131199
CCC(c1nnc2n1CCCCC2)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1	EMOLS-id_42871693,PC-id_72147900,MCULE-6328448274	434.491	VFMGCPHWNHNGQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131200
CC[C@@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2	PC-id_95789719,ZINC22_72318846	434.491	VFMGCPHWNHNGQA-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131201
CC[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2	ZINC22_72318845,PC-id_95789718	434.491	VFMGCPHWNHNGQA-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131202
COc1cccc(CCC(=O)N2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)c1	ZINC22_14958030,MCULE-8491900049,PC-id_26320509,CoCoCo_1439676,EMOLS-id_20614347	434.491	YCUULZDBZIZVNQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131203
n12CCN(CCc1nnc2CCNC(=O)c1cccnc1)C(=O)CCOc1ccccc1	ZINC22_15001207,EMOLS-id_20592825,PC-id_26357019,MCULE-6054971044	434.491	KWPBLJTYGKTICW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131204
n12CCN(CCc1nnc2CNC(=O)C1CCC(=O)N1)Cc1ccccc1c1ccco1	ChEMBL-DNDi_CHEMBL23945964,MCULE-9985147541,EMOLS-id_20479355,PC-id_45188794	434.491	VFDOEVARIDEEBQ-UHFFFAOYSA-N	00000010101000110101100000000010000000000000000000000000	31-01-131205
O=C1CC[C@H](C(=O)NCc2nnc3n2CCN(Cc2ccccc2c2ccco2)CC3)N1	CoCoCo_1241833,ZINC22_20453503,CoCoCo_1241832	434.491	VFDOEVARIDEEBQ-GOSISDBHSA-N	00000010101000110101100000000010000000000000000000000000	31-01-131206
O=C1CC[C@@H](C(=O)NCc2nnc3n2CCN(Cc2ccccc2c2ccco2)CC3)N1	ZINC22_20453501,CoCoCo_1241831,CoCoCo_1241830	434.491	VFDOEVARIDEEBQ-SFHVURJKSA-N	00000010101000110101100000000010000000000000000000000000	31-01-131207
O=C1CCC(N1)C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccco1	ChEMBL-DNDi_CHEMBL74141615	434.491	DZYMTPMEWQSWHC-UHFFFAOYSA-N	00000010101000110101100000000010000000000000000000000000	31-01-131208
O=c1n2CCCCCc2nn1CC(=O)Nc1c(ccc(NC(=O)Nc2ccccc2)c1)C	PC-id_55765911	434.491	YMUNLWAUYTZJNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131209
O=C(CCc1cccnc1)NCc1nnc2n1CCN(CC2)Cc1ccc2c(c1)OCO2	ChEMBL-DNDi_CHEMBL35804629	434.491	GUQQYFHUIPRQGT-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-131210
CC(C)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20952887,PC-id_86270342	434.498	NQMCTEBZEMGCOZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-131211
CCn1c2c(CN(CCC2)C)c(n1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_137456756,SCHEMBL20696211	434.498	VLLOUBLFUCSKLN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-131212
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N1CCN(CC1)Cc1cc(ccc1)C	PC-id_19527742	434.498	JFSGFPGVQRPDEF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131213
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N1CCN(CC1)Cc1c(cccc1)C	PC-id_19527744	434.498	YPCSYMHQRSXMGY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131214
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1ccc(CN2CCCCC2)cc1	PC-id_19523697	434.498	ZXQNOAHDTLAULO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131215
CN=C(NCC1(CCC1)c1cccc(c1)C(F)(F)F)NCc1nnc2n1CCCCC2	PC-id_111687260	434.501	ICDLJZXGUHNCPF-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-131216
c12C(=O)N(CCCn1nc(C(=O)NC(C)CCc1ccccc1)c2)Cc1cccc(F)c1	EMOLS-id_32632992,MCULE-7292542171,PC-id_53086358	434.506	HUHYHXCMGVTQQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131217
Fc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@H](CCc1ccccc1)C	PC-id_95074013	434.506	HUHYHXCMGVTQQU-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131218
Fc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@@H](CCc1ccccc1)C	PC-id_95074014	434.506	HUHYHXCMGVTQQU-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131219
CC(=O)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709958	434.507	IATKHZWFUNYUEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131220
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)NC(=O)c1coc2c1C(=O)CCC2	SCHEMBL6984113,PC-id_69952013	434.507	KJFXHZWTRZIVCU-UHFFFAOYSA-N	00000000100010110100000000010010000000000000000000000000	31-01-131221
c1(c2CCCCCc2n[nH]1)C(=O)N1CCC(C1)c1cc(cc(C)n1)Nc1ccc(cn1)F	EMOLS-id_131229,MCULE-6734780128,BDF-26194420	434.509	HZJSSFYKMUBTOD-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-131222
Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(C(=O)c3[nH]nc4c3CCCCC4)C2)n1	ZINC22_257241730	434.509	HZJSSFYKMUBTOD-INIZCTEOSA-N	00000010100000101101100000000010000000000000000000000000	31-01-131223
Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)c3[nH]nc4c3CCCCC4)C2)n1	ZINC22_257241731	434.509	HZJSSFYKMUBTOD-MRXNPFEDSA-N	00000010100000101101100000000010000000000000000000000000	31-01-131224
COc1cc(c(cc1OC)O)C(=O)N1c2scc(n2)C(=O)NCCN(C1C)C(C)C	SCHEMBL19235975	434.509	RJLSRBBQMJOTPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131225
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ncccc2)cc1	PC-id_46491145	434.511	SXRNWDYHTCMPQO-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-131226
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(n2nccc2C)cc1)C#N	PC-id_35308365	434.511	MEKCPPGFDCKDKI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131227
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(n(nc1)c1ccccc1)C)C#N	PC-id_25373340	434.511	MRRKTMGAJPSZAX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131228
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_40105638,EMOLS-id_30254293,MCULE-1692121826,PC-id_45891464	434.513	UPUDKKKRZHXPRI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131229
O=C(c1cnc2n(c1=O)cc(s2)Cc1ccccc1)NCc1nnc2n1CCCCC2	PC-id_86891422	434.514	ILUZHAJKDPKXNB-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-131230
CCNC(=NCc1cc(C)ccc1OC(F)F)NCCCc1nnc2n1CCCCC2	PC-id_109660183	434.526	WJQWTUNEGARUPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131231
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)OC(F)F)C	PC-id_111288071	434.526	JYEKGMMMUZFAFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131232
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)[O-])O3)sc2c1CCCCCCC2	GD-id_ZINC35861221,PC-id_51705323	434.526	UMAMRECRQJXFCC-BODMPHMZSA-M	00000010100010000100000000000110000000000000000000000000	31-01-131233
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)[O-])O3)sc2c1CCCCCCC2	PC-id_27527374,GD-id_ZINC17099631	434.526	UMAMRECRQJXFCC-JFTQMJAMSA-M	00000010100010000100000000000110000000000000000000000000	31-01-131234
s1c(NC(=O)C2C3OC(C2C(=O)[O-])CC3)c(c2c1CCCCCCC2)C(=O)OCC	PC-id_74534410	434.526	UMAMRECRQJXFCC-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-131235
s1c(NC(=O)[C@H]2[C@H]3O[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCCC2)C(=O)OCC	PC-id_27527376	434.526	UMAMRECRQJXFCC-DACLVMHWSA-M	00000010100010000100000000000110000000000000000000000000	31-01-131236
s1c(NC(=O)[C@@H]2[C@@H]3O[C@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCCC2)C(=O)OCC	PC-id_51705321	434.526	UMAMRECRQJXFCC-NONVJHHQSA-M	00000010100010000100000000000110000000000000000000000000	31-01-131237
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(=O)c2c(S1(=O)=O)ccn2C	PC-id_9889134,SCHEMBL5852673	434.527	HLPUTSXWNRYBFT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-131238
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(=O)c2c(S1(=O)=O)cn(c2)C	SCHEMBL5852665,PC-id_9910795	434.527	YXEAVKSDPKOOIB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-131239
S1(=O)(=O)N(CCC(=O)c2n(CCCN3CCN(CC3)c3ccc(F)cc3)ccc12)C	PC-id_9845789	434.527	JMSRYLXLKAYOSC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-131240
s1c2CCCCCc2cc1C(=O)OCC(=O)C1C(=[N+](CC(C)C)C(=O)N(C1=O)C)N	PC-id_74469091	434.529	ZMJZRJAQPYKUKZ-UHFFFAOYSA-O	00000000100011000101000000000010000000000000000000000000	31-01-131241
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1c(SC)nccc1)C(=O)OC	PC-id_3445147	434.529	VULCYEQZTBWCTM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-131242
s1c2c(CCCCC2)c(c1NC(=O)CSc1ncccc1C(=O)O)C(=O)OCC	PC-id_5203614	434.529	IYLNPVMYGNTCEG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-131243
Cc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCOCC1)/C(=O)N2	PC-id_145511796	434.531	UBTPJMXSNXBXDQ-CYVLTUHYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-131244
Cc1ccc(C)c(CNC(=O)C2CCc3nn(CCOc4ccccc4)c(=O)n3CC2)c1	EMOLS-id_207876683,MCULE-3719967687	434.531	XTNSSDZZAPSNEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131245
O=C(COc1ccc(cc1)Oc1ccc(cc1)C)NCCCc1nnc2n1CCCCC2	PC-id_86884616	434.531	FMYVOJPOMISOIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131246
C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625407	434.532	FEZUNHMIZOJRCL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131247
CN(NC(=O)c1c(NC(=O)C=Cc2ccc(s2)[N+](=O)[O-])sc2c1CCCCC2)C	PC-id_92046524	434.532	PGAIEFODADPSCM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-131248
O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCCCC4)c2)CCN1	CoCoCo_4709645,MCULE-4911833216,PC-id_25554796,EMOLS-id_18882061,ZINC22_12854738	434.532	KYKCHMMJTIRZBX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131249
s1c2CCCCCc2cc1C(=O)NN1C(=O)C2C(=C(SC2=NC1=S)C(=O)[O-])C	PC-id_74534411	434.532	NCCMNVWUULWFOB-UHFFFAOYSA-M	00000011100011000101000000000110000000000000000000000000	31-01-131250
s1c2CCCCCc2cc1C(=O)Nn1c(=O)c2c(sc(c2C)C(=O)[O-])[nH]c1=S	PC-id_27527381	434.532	CZDKFROFCJSILK-UHFFFAOYSA-M	00000000100000100101000001000010000000000000000000000000	31-01-131251
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc2n(c(=O)n(c2cc1)C)C	PC-id_56230105	434.532	GJBJTCZPMJKTIZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-131252
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CSCc1nc(on1)C)C)C#N	PC-id_55998662	434.532	DHOYTAFEUOUAAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131253
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ncc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_19686456	434.532	ATXHFYBCAIYHOD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-131254
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccccc3O)CCn12	MCULE-5217039135,PC-id_45174528,EMOLS-id_232706747	434.534	VBOWUOVAZYIPRD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131255
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3ccc(cc3)OC)CCn12	PC-id_45175803,EMOLS-id_20423233,MCULE-1441091460	434.534	XKKFLCRQWFCMTM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131256
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc(c(C)c3C)OC)CCn12	PC-id_45202088,MCULE-6175915519,EMOLS-id_20537527	434.534	RKTYCODTUIGACX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131257
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3c(C)cc(c(C)c3)OC)CCn12	ChEMBL-DNDi_CHEMBL32690421,EMOLS-id_232732027,PC-id_45166464,MCULE-2939751182	434.534	VALNHQBVPQLUJQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131258
C/C(=C/c1ccco1)/CN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1237237,CoCoCo_1237239	434.534	KLZZUTWUPRIOSK-JVCJXORTSA-N	00000000101000101101000000000010000000000000000000000000	31-01-131259
C/C(=Cc1ccco1)/CN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1237238,CoCoCo_1237240	434.534	KLZZUTWUPRIOSK-WQEMPZKUSA-N	00000000101000101101000000000010000000000000000000000000	31-01-131260
C/C(=Cc1ccco1)/CN1CCc2n(CC1)c(nn2)[C@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1237242,CoCoCo_1237244	434.534	KLZZUTWUPRIOSK-LXKWBGADSA-N	00000000101000101101000000000010000000000000000000000000	31-01-131261
C/C(=C/c1ccco1)/CN1CCc2n(CC1)c(nn2)[C@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1237243,CoCoCo_1237241	434.534	KLZZUTWUPRIOSK-BBXQBHCASA-N	00000000101000101101000000000010000000000000000000000000	31-01-131262
CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccccc1O)CC2	ZINC22_12159231	434.534	VBOWUOVAZYIPRD-HXUWFJFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131263
CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccccc1O)CC2	ZINC22_12159234	434.534	VBOWUOVAZYIPRD-FQEVSTJZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131264
CCN(CCNC(=O)C1CCc2nn(Cc3ccncc3)c(=O)n2CC1)c1ccccc1	MCULE-5114399348,EMOLS-id_207877131	434.534	YTTRADRVPPIIKP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131265
CN(c1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccco1)C	CoCoCo_1444690,CoCoCo_1444688	434.534	HIXSFNWXPDMNRW-HYXAFXHYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131266
CN(Cc1ccccc1)CCNC(=O)C1CCn2c(CC1)nn(c2=O)Cc1ccncc1	MCULE-8903908634,EMOLS-id_207877128	434.534	DRPGUNBZTUFUJW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131267
CN(C)c1ccc(/C=C/CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1	PC-id_42432833,CoCoCo_1444691,EMOLS-id_44853481,ChEMBL-DNDi_CHEMBL55404075,ZINC22_12152447,CoCoCo_1444689	434.534	HIXSFNWXPDMNRW-HWKANZROSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131268
COc1ccccc1CN1CCc2n(CC1)c(nn2)C(C(C)C)NC(=O)c1ccccn1	MCULE-7352497154,PC-id_45186926,EMOLS-id_20471177	434.534	VAQKYTNWHQZNPX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131269
COc1ccccc1CN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1230167,CoCoCo_1230168	434.534	VAQKYTNWHQZNPX-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131270
COc1ccccc1CN1CCc2n(CC1)c(nn2)[C@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1230169,CoCoCo_1230170	434.534	VAQKYTNWHQZNPX-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131271
COc1cc(C)c(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1C	MCULE-3380039822,CoCoCo_1244012,EMOLS-id_20480845,CoCoCo_1244013,ZINC22_20454004,PC-id_28956733	434.534	WZZIUNOPXPCQMZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131272
COc1cc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)cc1C	PC-id_29153843,ZINC22_20784920	434.534	VALNHQBVPQLUJQ-GOSISDBHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131273
COc1cc(C)c(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)cc1C	ZINC22_20784924,PC-id_29153845	434.534	VALNHQBVPQLUJQ-SFHVURJKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131274
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c(C)c1C	CoCoCo_1325558,CoCoCo_1325557,ZINC22_20912940	434.534	RKTYCODTUIGACX-GOSISDBHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131275
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c(C)c1C	ZINC22_20912945,CoCoCo_1325560,CoCoCo_1325559	434.534	RKTYCODTUIGACX-SFHVURJKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131276
COc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1	CoCoCo_1163092,ZINC22_12184497,CoCoCo_1163093	434.534	XKKFLCRQWFCMTM-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131277
COc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1	ZINC22_12184499,CoCoCo_1163090,CoCoCo_1163091	434.534	XKKFLCRQWFCMTM-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131278
COc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1C	CoCoCo_1332184,ZINC22_20917992,EMOLS-id_20542117,MCULE-5418594787,PC-id_29218655,CoCoCo_1332183	434.534	BNKSVOHOCKIVFZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131279
n12CCN(CCc1nnc2CCNC(=O)c1ccco1)CC=Cc1ccc(cc1)N(C)C	PC-id_74802995,MCULE-2522384974	434.534	HIXSFNWXPDMNRW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131280
O=C(c1cocc1)NCCc1nnc2n1CCN(CC2)Cc1ccc(cc1)N1CCCC1	CoCoCo_1223675,PC-id_28953118,CoCoCo_1223674	434.534	ZBVAFYDXSGPXES-UHFFFAOYSA-N	00000010101000110101100000000010000000000000000000000000	31-01-131281
O=C(NC(c1n2CCN(CCc2nn1)Cc1ccc(N2CCCC2)cc1)C)c1occc1	PC-id_45166859	434.534	MNIMEKXUQVYALT-UHFFFAOYSA-N	00000010101000110101100000000010000000000000000000000000	31-01-131282
O=C(N[C@@H](c1n2CCN(CCc2nn1)Cc1ccc(N2CCCC2)cc1)C)c1occc1	PC-id_42364431	434.534	MNIMEKXUQVYALT-GOSISDBHSA-N	00000010101000110101100000000010000000000000000000000000	31-01-131283
O=C(N[C@H](c1n2CCN(CCc2nn1)Cc1ccc(N2CCCC2)cc1)C)c1occc1	PC-id_42364435	434.534	MNIMEKXUQVYALT-SFHVURJKSA-N	00000010101000110101100000000010000000000000000000000000	31-01-131284
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1cccc2nsnc12	EMOLS-id_97100000,MCULE-3688274309	434.536	FUEMAKKZEPZCIB-UHFFFAOYSA-N	00100000100000100101000001000010000000000000000000000000	31-01-131285
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C#Cc1ccc(s1)C#Cc1ccccc1	PC-id_102579716	434.549	SGELAYXLUJNKFR-UHFFFAOYSA-N	00000010100100110110000000000010000000000000000000000000	31-01-131286
FCCN1CCCN(CC1)c1ccc(c(c1)N=C(c1c(=O)[nH]c2-c1ccccc2)CC)C	PC-id_144080639	434.549	KURWSMBJQAOLTE-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-131287
c1(c2CCCCCc2sc1NC(=O)c1ccccc1C)C(=O)Nc1ccc(cc1)OC	CoCoCo_1731144,MCULE-6920950318,PC-id_6618024,EMOLS-id_11057568	434.551	LUMRYAFFLPUJEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131288
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccccc1OC	CoCoCo_1797056,EMOLS-id_2109757,PC-id_2298840,MCULE-1310481431,ZINC22_3002636	434.551	RPBLOOSBVMAAOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131289
c1(c2CCCCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)OCC	MCULE-2153723054,ZINC22_2904782,PC-id_2252096,NSC732525,EMOLS-id_1230951,CoCoCo_81740,CK1487629,BAS-00486754	434.551	FNTTUCUTFDIBCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131290
c1(c2CCCCCc2sc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1OCC	ZINC22_8843211,CoCoCo_1731284,PC-id_3762027,MCULE-6030345728,EMOLS-id_2765533	434.551	DKYVACQJUAVPEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131291
c1(c2CCCCCc2sc1NC(=O)c1cccc(C)c1)C(=O)Nc1ccc(cc1)OC	MCULE-7188584325,SPECS-id_AG-205/12835147,ZINC22_2186032,PC-id_1821614,CoCoCo_1949678,EMOLS-id_6767922	434.551	WMCRCRFJLBWVAB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131292
c1(c2CCCCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1OC	SPECS-id_AG-667/11912018,MCULE-6229167930,ZINC22_722337,PC-id_1047299,NSC732526,CoCoCo_1731140,EMOLS-id_2366604	434.551	FXIOSKSKFJKKME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131293
c1(c2CCCCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccc(cc1)OC	ZINC22_1081668,EMOLS-id_8301655,MCULE-3598217851,PC-id_1268391,CoCoCo_5955583	434.551	KIDFMVUYHFFJKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131294
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1ccccc1	TIMTEC36367,CoCoCo_1731327,SPECS-id_AG-667/13796007,MCULE-2041415159,EMOLS-id_8221335,PC-id_3882400,ZINC22_8445639	434.551	MVQFNQHDRJXJID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131295
c1(sc2c(CCCCC2)n1)NC(=O)C(=Cc1ccc(c(OC)c1)OC)c1ccccc1	MCULE-7627505946	434.551	MOTCGDYPUHZJKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131296
CCOC(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCN(CC2)Cc1ccccc1	SCHEMBL11175209,PC-id_13072080	434.551	ILIPQNQHQJAFRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131297
COc1c(ccc(c1)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1ccccc1)O	PC-id_137051286	434.551	GQVXFJCGFJLCCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131298
COc1cccc(c1O)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1ccccc1	PC-id_137051354	434.551	FQESJWNJFDVZLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131299
COc1ccc(/C=C(/C(=O)Nc2nc3CCCCCc3s2)c2ccccc2)cc1OC	EMOLS-id_334605174	434.551	MOTCGDYPUHZJKA-XDJHFCHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131300
COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1O	ZINC22_408970303	434.551	FQESJWNJFDVZLO-WGOQTCKBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131301
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1O	ZINC22_408969066	434.551	GQVXFJCGFJLCCW-WGOQTCKBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131302
O=C(c1cc2c(s1)CCN(CC2)Cc1ccccc1)NCCc1ccc(cc1)C(=O)O	PC-id_20481329,SCHEMBL11172186	434.551	UGRCBJAVMHYKLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131303
s1c2CCCCN(c2cc1)C(=O)c1cc(OC)c(NC(=O)c2c(c(ccc2)C)C)cc1	PC-id_57135738	434.551	NYHOXQOIHHBWEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131304
CCCc1cc([O-])nc(n1)SCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	GD-id_ZINC15879762,PC-id_26840977	434.552	KQPWXWNZMDIEQV-UHFFFAOYSA-M	00000000100000100101000000000010000000000000000000000000	31-01-131305
CCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CCCCC3)c(=O)[nH]c1=O	ZINC22_13017887,MCULE-5283947673,CHEMBL1396516,EMOLS-id_3518500,ChEMBL-DNDi_CHEMBL1396516,PC-id_16257715,CoCoCo_3293007	434.552	HMIRFLULBCCKMK-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131306
COCCN(C(=O)c1cc2c(s1)CCCCC2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	MCULE-2464126068,CoCoCo_3317179,EMOLS-id_42604654,ZINC22_14721839,CHEMBL1375148,PC-id_25162053	434.552	CGHPMKOGQZTKPE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131307
s1c2CCCCCCc2cc1C(=O)N(c1c(n(CCC)c(=O)[nH]c1=O)N)CCOC	PC-id_52435755	434.552	DSOGVEBKLWCZKE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131308
s1c2c(CCCCCC2)c(c1NC(=O)CSc1nc(c(c([O-])n1)C)C)C(=O)OC	PC-id_44171461	434.552	PBTABJURSBQQGE-UHFFFAOYSA-M	00000000100000100101000000000010000000000000000000000000	31-01-131309
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)SC)c2)Cc1ccc(cc1)C	MCULE-8603990455,EMOLS-id_16324674,CoCoCo_2544554,PC-id_20964735	434.554	DXTZDDBBHVKXGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131310
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)SC)c2)Cc1cccc(C)c1	MCULE-4849545350,EMOLS-id_32633226,PC-id_53086397	434.554	WBQSUXLDJNATRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131311
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)SC)c2)Cc1ccccc1	MCULE-9488542449,EMOLS-id_32846074,PC-id_50798063	434.554	FZFSGOKWANDAAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131312
c1(NC(=O)CCC(=O)Nc2ccc(cc2)Nc2ccccc2)sc2c(CCCCC2)n1	MCULE-4697911056,EMOLS-id_335065316	434.554	MMPVXZFRDGGUET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131313
CCCCNc1nc2c(s1)C(=O)N(CC(=O)N2Cc1ccccc1)Cc1ccccc1	PC-id_142739070	434.554	IKLMCZOJSVMRLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131314
N#Cc1c(NC(=O)CCN(Cc2ccco2)Cc2cccnc2)sc2c1CCCCC2	PC-id_112812229	434.554	UHLBLCOCBDBELX-UHFFFAOYSA-N	00000000101000101100000000000010000000000000000000000000	31-01-131315
O(c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)cc1)C	PC-id_42452110	434.554	NICSADFYWDWIQD-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131316
O(c1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)cc1)C	PC-id_42452112	434.554	NICSADFYWDWIQD-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-131317
O(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cc1)C	PC-id_74804333	434.554	NICSADFYWDWIQD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131318
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)cccc1)C	PC-id_42439972	434.554	DWIDYGTZYITXIQ-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131319
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)cccc1)C	PC-id_42439978	434.554	DWIDYGTZYITXIQ-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-131320
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cccc1)C	PC-id_74803630	434.554	DWIDYGTZYITXIQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131321
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC)C)COc1ccccc1	PC-id_74787108	434.554	NACKFEXJLPMQNU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131322
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1ccccc1)CC(C)C)c1occc1	PC-id_74802450	434.554	CNBZQMNEUZLLCA-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-131323
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1c(cc(cc1)C)C)c1ccc(OC)cc1	PC-id_42319592	434.554	LIGPRRNQAOJCQJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131324
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1cc(cc(c1)C)C)COc1ccccc1	PC-id_42320300	434.554	GVLBRPPCFHQYPZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131325
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1cc(c(cc1)C)C)COc1ccccc1	PC-id_42323562	434.554	ZQVSBWUEWMCMKV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131326
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC)COc1ccccc1	PC-id_42368016	434.554	VWNRHUDMRTVMLS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131327
O=C(NCCc1n2CC[NH+](CCc2nn1)CC(c1ccccc1)C)c1ccc(OC)cc1	PC-id_74808094	434.554	ZSOZCULSQJMEMD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131328
O=C(NCCc1n2CC[NH+](CCc2nn1)C[C@H](c1ccccc1)C)c1ccc(OC)cc1	PC-id_42499756	434.554	ZSOZCULSQJMEMD-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131329
O=C(NCCc1n2CC[NH+](CCc2nn1)C[C@@H](c1ccccc1)C)c1ccc(OC)cc1	PC-id_42499758	434.554	ZSOZCULSQJMEMD-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-131330
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC)C)COc1ccccc1	PC-id_42275378	434.554	NACKFEXJLPMQNU-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131331
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC)C)COc1ccccc1	PC-id_42275379	434.554	NACKFEXJLPMQNU-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-131332
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccccc1)CC(C)C)c1occc1	PC-id_42428928	434.554	CNBZQMNEUZLLCA-VMLCMGRWSA-O	00000000101000110101000000000010000000000000000000000000	31-01-131333
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccccc1)CC(C)C)c1occc1	PC-id_42428930	434.554	CNBZQMNEUZLLCA-ISPXXFMDSA-O	00000000101000110101000000000010000000000000000000000000	31-01-131334
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)NC(=O)C)CCn12	PC-id_45205867,MCULE-3103385051,EMOLS-id_232739704	434.556	BBDFBXROTHDQLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131335
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(CCn12)C(=O)c1ccccc1N(C)C	PC-id_45190222,EMOLS-id_20485591,MCULE-6009631076	434.556	CNDJUVMQKOYJPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131336
Cc1ccsc1S(=O)(=O)N1CCc2nc(C(=O)N=c3cc[nH]cc3)sc2CC1	ZINC22_1260064916,EMOLS-id_313792315	434.556	UQGBQJBXDJKKES-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-131337
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(C(=O)c1ccccc1N(C)C)CC2	CoCoCo_1250627,ZINC22_11787188	434.556	CNDJUVMQKOYJPC-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131338
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(C(=O)c1ccccc1N(C)C)CC2	ZINC22_11787186,CoCoCo_1250626	434.556	CNDJUVMQKOYJPC-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131339
CC(=O)Nc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	CoCoCo_1349893,ZINC22_12245151,CoCoCo_1349894	434.556	BBDFBXROTHDQLV-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131340
CC(=O)Nc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	ZINC22_12245152,CoCoCo_1349895,CoCoCo_1349896	434.556	BBDFBXROTHDQLV-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-131341
Cc1c(C#N)c(NC(=O)CSc2nnc3n2CCCCC3)n(Cc2ccccc2)c1C	PC-id_16356507,ZINC22_9868065,EMOLS-id_11801100,CoCoCo_4311460,MCULE-3641696708	434.557	DGTFNMNOTCJGRV-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-131342
s1c2CCCCCc2c(c1NC(=O)CN(C(c1ccc(n2ncnc2)cc1)C)C)C#N	PC-id_46823204	434.557	FEIGXFNZCZBTRA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131343
s1c2n(nc(c2cc1C(=O)NCc1n2CCCCCc2nn1)C)Cc1ccc(cc1)C	PC-id_24610276	434.557	CWAJPCLHCOHNNH-UHFFFAOYSA-N	00000000100000110101000100000010000000000000000000000000	31-01-131344
Brc1c(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cccc1	PC-id_3416237	436.363	ADOSTAQELUYRFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132033
s1c2c(CCCCCC2)c(c1N=Cc1ccc(F)cc1)C(=O)Nc1cc(c(cc1)C)C	PC-id_23962652	434.569	SRKBFTCGFSYOCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131345
s1c2c(CCCCCC2)c(c1N=Cc1ccc(F)cc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_23968381	434.569	LUNSPLQIBYYUAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131346
s1c2c(CCCCCC2)c(c1N=Cc1ccc(F)cc1)C(=O)Nc1cc(cc(c1)C)C	PC-id_24070921	434.569	WZARKFGTROTBLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131347
s1c2c(CCCCCC2)c(c1N=Cc1ccc(F)cc1)C(=O)Nc1c(c(ccc1)C)C	PC-id_24105671	434.569	FWBXZZUCQASDOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131348
Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1S(=O)(=O)N1CCOCC1	MCULE-8872918183,ZINC22_9463423,EMOLS-id_3607005,PC-id_16307651,CoCoCo_3178137	434.572	MXSYZFRVYUVOSC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131349
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_2880226,MCULE-4299682616,CoCoCo_3177488,ZINC22_9125597,PC-id_16231837	434.572	BWIDGGJOVIQGOJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131350
COc1ccc(cc1)N=Nc1ccc(cc1)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_101439608	434.572	WSHHMVZHXQNLLZ-MHYFFVAOSA-N	00000010100000110110000000000010000000000000000000000000	31-01-131351
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1	EMOLS-id_3606173,MCULE-7399991468,PC-id_16306391,ZINC22_9684863,CoCoCo_3308752	434.572	UQTMUKURNQCZPK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131352
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2c(s1)CCCCCC2	CoCoCo_3325799,PC-id_16330267,GD-id_ZINC09729227,ZINC22_9729227,EMOLS-id_3622617,MCULE-9161945796	434.572	YTFBJDXEAOVMBY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131353
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2c(s1)CCCCC2	PC-id_26420913,MCULE-9776853513,CoCoCo_3887965,ZINC22_15093760,EMOLS-id_23968414	434.572	PHHPIYVXMXKGJQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131354
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)N	PC-id_16837989	434.572	VSRMTZULQZGSBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131355
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(cc1)C)C(=O)N	PC-id_41273429	434.572	CRHOZKJSSXMUIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131356
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OC)cc(OC)c1)C(=O)OCC	PC-id_20411437	434.572	VVXIAESVCRYFLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131357
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_19677430	434.572	JJHWAFRYQAHIMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131358
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC)ccc(OC)c1)C(=O)OCC	PC-id_20411337	434.572	KIJBJUGPDJNVKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131359
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC)cc(OC)cc1)C(=O)OCC	PC-id_20411295	434.572	PGHXCDCJSIVNBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131360
s1c2c(CCCCC2)c(c1NC(=S)NCc1cc(OC)c(OC)cc1)C(=O)OC	PC-id_19680189	434.572	PGVRDVGPLVWMKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131361
s1c2CCCCCCc2cc1C(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)NC	PC-id_52467223	434.572	UQEYRNDKQFVDCQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-131362
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OC)cc(OC)c1)C(=O)OC	PC-id_20411430	434.572	NMKYPCMLOZRVJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131363
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OC)c(OC)cc1)C(=O)OC	PC-id_19677423	434.572	NVHOITCANGZKCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131364
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC)ccc(OC)c1)C(=O)OC	PC-id_20411330	434.572	XIPFBSMIQUSGTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131365
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC)cc(OC)cc1)C(=O)OC	PC-id_20411290	434.572	AKIVKIJHAZUWDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131366
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1)c1cc(ccc1O)C	PC-id_56025099	434.572	OUKKMELTFBKGRG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131367
S(=O)(=O)(N1CCOCC1)c1c(CNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_24680818	434.572	IFZRPNDIHJMPCD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131368
S(=O)(=O)(NC1CC1)c1cc(NC(=O)c2sc3CCCCCCc3c2)c(OC)cc1	PC-id_60367020	434.572	IVWDPIKXTBDFLS-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-131369
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCN(CC1)C/C=C/c1ccccc1)cc2	PC-id_20085238,SCHEMBL9266205	434.574	NFJOTRYHEMODAL-JXMROGBWSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131370
C[NH+]([C@@H]1CCCN(c2c1scc2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1C)C	GD-id_ZINC13532179	434.574	OEFAJMDMCVQKRS-OAQYLSRUSA-O	00000000100000110100000000000010000000000000000000000000	31-01-131371
O=C1N(CCC(=O)c2c1n(CCCCN1CCN(CC1)CC=Cc1ccccc1)cc2)C	PC-id_54108440	434.574	NFJOTRYHEMODAL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131372
CO[C@H]1CN(C[C@@H]1NC(=O)c1ccc(s1)C)C(=O)c1nc2c(s1)CCN(CC2)C	PC-id_145481238	434.575	JNMNCIMDQOPCMX-GJZGRUSLSA-N	00000010100100000101000000000010000000000000000000000000	31-01-131373
O=C(c1sc2c(c1)CCCCCC2)NNC(=O)c1sc(nc1C)N1CCOCC1	EMOLS-id_50293740,MCULE-1188947023,PC-id_25444553	434.575	YCJPJHJKFJCYLC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-131374
O/C(=CSc1nnc2n1CCCCC2)/c1ccc(cc1)S(=O)(=O)N1CCCCC1	CoCoCo_3081548,CoCoCo_3081551	434.575	XCFRGDXTWLEMMA-SDXDJHTJSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131375
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccc(cc1)S(=O)(=O)N1CCCCC1	CoCoCo_3081549,CoCoCo_3081550	434.575	XCFRGDXTWLEMMA-OBGWFSINSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131376
O=C(CSc1nnc2n1CCCCC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1	MCULE-1291654096,CoCoCo_3081547,EMOLS-id_3593910,ZINC22_13110066,PC-id_16291087	434.575	ZZUPURAOUGJKOZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131377
O=C(CSc1nnc2n1CCCCC2)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1	CoCoCo_3081856,PC-id_25388162,ZINC22_12600881	434.575	KHKSTJAEWGNBQC-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131378
O=C(CSc1nnc2n1CCCCC2)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC22_12600882,CoCoCo_3081857,PC-id_25388163	434.575	KHKSTJAEWGNBQC-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131379
O=C(N(C1CCS(=O)(=O)C1)Cc1ccccc1)CSc1nnc2n1CCCCC2	PC-id_17392795,MCULE-5302917908,EMOLS-id_11883952	434.575	KHKSTJAEWGNBQC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131380
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC=C)c(nn1)C)C(=O)OCC	PC-id_19715889	434.575	AQBFLQLHGFSUAZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131381
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)CC)C(=O)OC	PC-id_19726801	434.575	RBQIMOQZOLDBCR-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-131382
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)C)C(=O)OCC	PC-id_19726765	434.575	GEXFCNBGYDSRNJ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-131383
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC)CC=C)C(=O)OC	PC-id_19716579	434.575	KMIMERWXLPQRCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131384
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cc1nc(sc1)NC(=O)C(C)C	PC-id_55789430	434.575	GJAOPHSDNYILEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131385
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC=C)c(nn1)C)C(=O)OC	PC-id_19715843	434.575	CJUWFCKYOUPYQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131386
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)C)C(=O)OC	PC-id_19726730	434.575	SRVRITDXIZDQTK-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-131387
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1c(OCC=C)cccc1)C(C)C)C	PC-id_74496622	434.575	DPIDPORRTABEJH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131388
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1ccc(OC)cc1)C(C)C)C	PC-id_74493928	434.575	VZTRCSUMDNCWGS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131389
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1c(OC)cccc1)C(C)C)C	PC-id_74804194	434.575	KQHNTQRWJXMLFM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131390
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OCC=C)cccc1)C(C)C)C	PC-id_26325399	434.575	DPIDPORRTABEJH-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131391
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OCC=C)cccc1)C(C)C)C	PC-id_26325402	434.575	DPIDPORRTABEJH-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131392
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)C(C)C)C	PC-id_26276395	434.575	VZTRCSUMDNCWGS-XJDXJNMNSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131393
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)C(C)C)C	PC-id_26276397	434.575	VZTRCSUMDNCWGS-RRFGBZISSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131394
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)C(C)C)C	PC-id_42451164	434.575	KQHNTQRWJXMLFM-JCOOBLOPSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131395
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)C(C)C)C	PC-id_42451166	434.575	KQHNTQRWJXMLFM-FHVRUZERSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131396
O=C(NCC(CN(C)C)(C)C)C1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_56105770	434.576	UHUSZLXHNKEBPJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131397
CC1(C)[C@H]2CC=C(CN3CCc4nnc(CNC(=O)CCc5cccnc5)n4CC3)[C@@H]1C2	CoCoCo_1256744,CoCoCo_1256745,EMOLS-id_25997841,PC-id_42342399,MCULE-4963573503,ZINC22_11997535	434.577	IGSASIIGJXPTLE-SFTDATJTSA-N	00001000100011101101001000000010000000000000000000000000	31-01-131398
CC(=C)[C@H]1CCC(=CC1)CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	PC-id_42278155,CoCoCo_1313981,ZINC22_11913551,MCULE-2886531414,CoCoCo_1313983,EMOLS-id_26002007	434.577	JECUGBAILXDTPT-JOCHJYFZSA-N	00000000100011101101000000000010000000000000000000000000	31-01-131399
N#Cc1c(NC(=O)[C@H]([N@H+](Cc2cnn(c2)c2ccccc2)C)C)sc2c1CCCCC2	PC-id_41207920,GD-id_ZINC09777896	434.577	XNMFRMSHTUOKDR-QGZVFWFLSA-O	00000000100000110101100000000010000000000000000000000000	31-01-131400
O=C(CCc1cccnc1)NCc1nnc2n1CCN(CC2)CC1=CC[C@@H]2C[C@H]1C2(C)C	CoCoCo_1256742,CoCoCo_1256743	434.577	IGSASIIGJXPTLE-NHCUHLMSSA-N	00001000100011101101001000000010000000000000000000000000	31-01-131401
O=C(CCc1cccnc1)NCc1nnc2n1CCN(CC2)CC1=CC[C@@H](CC1)C(=C)C	CoCoCo_1313984,CoCoCo_1313982	434.577	JECUGBAILXDTPT-QFIPXVFZSA-N	00000000100011101101000000000010000000000000000000000000	31-01-131402
O=C(NCc1n2CCN(CC3=CCC4C(C3C4)(C)C)CCc2nn1)CCc1cccnc1	PC-id_74844412	434.577	IGSASIIGJXPTLE-UHFFFAOYSA-N	00001000100011101101001000000010000000000000000000000000	31-01-131403
O=C(NCc1n2CCN(CC3=CCC(CC3)C(=C)C)CCc2nn1)CCc1cccnc1	PC-id_74787519	434.577	JECUGBAILXDTPT-UHFFFAOYSA-N	00000000100011101101000000000010000000000000000000000000	31-01-131404
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+](Cc1cn(nc1)c1ccccc1)C)C)C#N	PC-id_41207918	434.577	XNMFRMSHTUOKDR-KRWDZBQOSA-O	00000000100000110101100000000010000000000000000000000000	31-01-131405
s1c2c(CCCCC2)c(c1NC(=O)C([NH+](Cc1cn(nc1)c1ccccc1)C)C)C#N	PC-id_74752399	434.577	XNMFRMSHTUOKDR-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-131406
s1c2CCCCCc2c(c1NC(=O)CSc1nc(c2ccccc2)cc(n1)C)C#N	PC-id_3253771	434.577	XEMRPAJKVXJNMK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131407
CCCCn1c(CSc2nnc3n2CCCCC3)nc2cc(S(=O)(=O)N)ccc12	ZINC22_9672279,MCULE-7715527181,CoCoCo_3854800,EMOLS-id_43906703,PC-id_16296121	434.579	XOEYJCHRDRFBHL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-131408
CCn1c(CSc2nnc3n2CCCCC3)nc2cc(S(=O)(=O)N(C)C)ccc12	ZINC22_8709992,PC-id_16268934,MCULE-4799034627,EMOLS-id_13397240,CoCoCo_3082178	434.579	ORKFBJFYNXNEKX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-131409
COCCNC(=O)CN1CCN(CC1)C(=NC)NCCCc1nnc2n1CCCCC2	PC-id_111412198	434.579	UWQAHGDYNWDTPK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131410
CCNC(=NCc1ccccc1Cn1cccn1)NCCCc1nnc2n1CCCCC2	PC-id_111851500	434.58	UPTIGDIJUCSQRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131411
CCNC(=NCc1ccccc1n1nc(cc1C)C)NCCc1nnc2n1CCCCC2	PC-id_109796678	434.58	MUKBNDQZIMTCBW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131412
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1cccc(c1)n1cccn1)C	PC-id_112086517	434.58	SREUUXNFCQATPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131413
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1cnn(c1)c1ccccc1)C	PC-id_111414653	434.58	BLSBVPBTBAGGKA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131414
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ncc([nH]1)c1ccccc1)C	PC-id_109843108	434.58	IUPZWPFMWLNJEI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131415
CN=C(NC1CCCN(C1)c1ccccc1C#N)NCCCc1nnc2n1CCCCC2	PC-id_112081183	434.58	CBZJPNVHTBGZTF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-131416
CN=C(NCc1ccccc1n1nc(cc1C)C)NCCCc1nnc2n1CCCCC2	PC-id_109795922	434.58	IJZLQPPJLBDUPH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131417
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1cn(c(n1)C)CO[Si](C)(C)C	SCHEMBL12598922,PC-id_58256613	434.585	BMJJFVFVXOHWPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131418
s1c2c(CCCCCC2)c(c1NC(=S)NCCc1ccc(F)cc1)C(=O)OCC	PC-id_19649766	434.59	BGTRQAPWGNHIEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131419
CC(c1ccc(c2-c(c1)c(C)cc2C=C1C=CC(=[N+]=Nc2ccc(cc2)N(C)C)C=C1)C)C	PC-id_101470403	434.595	FVMSPXFFXCIHDA-UHFFFAOYSA-N	00000010100011110110000000000010000000000000000000000000	31-01-131420
CCCC(CCNS(=O)(=O)C1=CC=c2c(=CC1)c(c[nH]2)C(=O)N1CCN(CC1)C)C	PC-id_143170913	434.595	KGNKPVORIGTIPA-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-131421
s1c2c(CCCCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CC(C)C	PC-id_73435222	434.595	SHXVFZFWZKNFTN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131422
s1c2c(CCCCC2)cc1C(=O)N(C1C(N(CC(C)C)C(=O)NC1=O)N)CCCC	PC-id_74312300	434.595	STPKFFDMGRWDAZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131423
s1c2c(CCCCC2)cc1C(=O)N(C1C(N(CC(C)C)C(=O)NC1=O)N)CC(C)C	PC-id_74592909	434.595	KAQFMHSOYRMQNB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131424
CC(C)(C)c1cc(ccc1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCCC1	PC-id_89125853	434.597	FSNUNUYNHQGXEV-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-131425
O=C(c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1cccc(c1)C(C)(C)C)N1CCCC1	SCHEMBL13591835	434.597	FSNUNUYNHQGXEV-MRLUGJSWSA-N	00000010100000110111000000000010000000000000000000000000	31-01-131426
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C/C=C/c1ccccc1)C#N	PC-id_2697850	434.597	TYCWQALFUYCRDK-JXMROGBWSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131427
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)CC=Cc1ccccc1)C#N	PC-id_78290198	434.597	TYCWQALFUYCRDK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131428
c12sc(c(C)c1c(=O)[nH]c(CSCC(=O)Nc1sc3c(CCCCC3)n1)n2)C	MCULE-3346979187,EMOLS-id_323473316	434.599	YCNITAXQEZQMJN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-131429
CC([C@@H](c1nnc2n1CC[N@H+](CC2)Cc1cc2c(s1)cccc2)NS(=O)(=O)C)C	GD-id_ZINC12123604	434.599	HJJAFWWWFZKAOV-IBGZPJMESA-O	00000000100000100101000001000010000000000000000000000000	31-01-131430
CCN(CC)c1ccc(CN2CCc3nnc(CNS(=O)(=O)C(C)C)n3CC2)cc1	ZINC22_23311312,CoCoCo_1344256,EMOLS-id_24857521,MCULE-2065325346,CoCoCo_1344255,PC-id_31004661	434.599	CICXYAWXKRMTSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131431
COCCN1CC(CC(c2n[nH]c3c2CN(C3)COC)C)Cc2c(C1)c(SC)n[nH]2	PC-id_139513763,SCHEMBL21385795	434.599	ICCSODKMHSPBLG-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-131432
CC1(COc2c(sc(c2OC1)C(C)(C)C)C(C)(C)C)COCCCS(=O)(=O)O	PC-id_89351966,SCHEMBL14494065	434.61	MSPAVVOQVVUHBX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131433
s1c2CCCCCCc2cc1C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1	PC-id_55467312	434.615	NNZSOQYNAOKVHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131434
S1CCCN(c2c1sc(c2)CC)C(=O)CCNCCc1cc(OC)c(OC)cc1	PC-id_10342891	434.615	DJBNHFVDZIXFMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131435
S(c1c2-c(c(cc(cc2C)C)C)c(SC#Cc2ccccc2)c1)C#Cc1ccccc1	PC-id_12285333	434.615	USFJQMQMMBWFIR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-131436
Brc1c(C(Cl)c2sc3c(CCCCC3)c2)cc(Br)cc1	PC-id_63429512	434.616	PIKMWBWUSURZEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131437
CCCn1nc(c2c1C=C(OC)C=C=C2)CNCCC(CN(c1ccc(cc1)C)C)CC	PC-id_144334501	434.617	UBDOOLLKNQPNPB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131438
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1ncc(c1)C)C(=O)OCC	PC-id_20174251	434.618	VZTOKXQWYUHXTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131458
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N(C)Cc1c(C)nn(C)c1C	TIMTEC226757,CoCoCo_6799986,MCULE-7144368258,ZINC22_17099187,PC-id_4636187,EMOLS-id_4120326	434.618	IUUGNCYYYJNEQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131439
s1c2c(CCCCC2)c(c1NC(=S)N(Cc1c(nn(c1)CC)C)C)C(=O)OCC	PC-id_20167165	434.618	YZHBRBQGENFHBZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131440
s1c2c(CCCCC2)c(c1NC(=S)NC(c1c(nn(c1)CC)C)C)C(=O)OCC	PC-id_20177157	434.618	UOTYGMCVHOZSFI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131441
s1c2c(CCCCC2)c(c1NC(=S)NC(c1c(n(nc1)CC)C)C)C(=O)OCC	PC-id_20177218	434.618	KPTVCMTXGIHUJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131442
s1c2c(CCCCC2)c(c1NC(=S)NCc1c(n(nc1C)CC)C)C(=O)OCC	PC-id_20178064	434.618	FQZGWUGQTUMBNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131443
s1c2c(CCCCC2)c(c1NC(=S)NC(C(C)(C)C)Cn1nccc1)C(=O)OC	PC-id_20170882	434.618	QKLJGNLLQPXSJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131444
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1nc(cc1C)C)C(=O)OCC	PC-id_20174637	434.618	VVISSKVROOCMEY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131445
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)CC)C)C(=O)OCC	PC-id_20167896	434.618	GMLIBPSQUILNRE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131446
s1c2c(CCCCCC2)c(c1NC(=S)N(Cc1c(nn(c1)CC)C)C)C(=O)OC	PC-id_20167160	434.618	BTHQUOUPFWTLGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131447
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(nn(c1)CC)C)C)C(=O)OC	PC-id_20177151	434.618	AIIYGLBOVNOWFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131448
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(n(nc1)CC)C)C)C(=O)OC	PC-id_20177211	434.618	SVQAKOFBODMRMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131449
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(n(nc1C)CC)C)C(=O)OC	PC-id_20178057	434.618	DYQXKUAVUUIYJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131450
s1c2c(CCCCCC2)c(c1NC(=S)N(Cc1c(n(nc1C)C)C)C)C(=O)OC	PC-id_20178134	434.618	QKRXOWMTIBVKRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131451
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(nn(c1)C)C)C)C(=O)OCC	PC-id_20177048	434.618	CADQSAVTZNYVKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131452
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(n(nc1)C)C)C)C(=O)OCC	PC-id_20177105	434.618	UPECFEJYWNNXSA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131453
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(n(nc1C)C)C)C(=O)OCC	PC-id_20177808	434.618	FRWPVFFCEBFXMA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131454
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(nn(c1)CC)C)C(=O)OCC	PC-id_20177919	434.618	NLFUZOXAUJQGFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131455
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(n(nc1)CC)C)C(=O)OCC	PC-id_20177973	434.618	TVUVANYOVGHESW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131456
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1nc(cc1C)C)C(=O)OC	PC-id_20174630	434.618	OUJSCWONBAKDSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131457
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1nc(cc1)C)C(=O)OCC	PC-id_20174311	434.618	WARQSTUZIOBONA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131459
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1nccc1C)C(=O)OCC	PC-id_20174431	434.618	JNONIRXCPDQZSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131460
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C(C)C)C	PC-id_74799671	434.619	RDOKXPBQCDIMRU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131461
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C(C)C)C	PC-id_42366572	434.619	RDOKXPBQCDIMRU-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131462
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C(C)C)C	PC-id_42366576	434.619	RDOKXPBQCDIMRU-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-131463
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)C(c1ccccc1)c1ccccc1	PC-id_30726310	434.62	YHSAPXNAKXQBDK-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-131464
s1c2c(CCCCCCCCCC2)c(c1NC(=O)CC(C)C)C(=O)N1CCOCC1	PC-id_23796833	434.635	HPVXTYAWKMMHTI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131465
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(SC)cccc1)C(=O)OCC	PC-id_19648723	434.638	MEYOIWIBNBLUBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131466
[Si](OC1c2c(c(oc2)CC2(OCC(CO2)(C)C)C)CCC(=O)C=C1)(C(C)(C)C)(C)C	PC-id_72803004	434.641	WAMPDQKGQDDMRB-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-131467
[Si](O[C@@H]1c2c(c(oc2)CC2(OCC(CO2)(C)C)C)CCC(=O)C=C1)(C(C)(C)C)(C)C	PC-id_11327991	434.641	WAMPDQKGQDDMRB-FQEVSTJZSA-N	00000000100010000111000000000010000000000000000000000000	31-01-131468
CCCCCCC(CCCCCCCCCC1[C@H](O)CC(c2c(C1=O)n(C)cn2)C)O	PC-id_141819736	434.655	KKJQXJJIEXSKSG-LYUBNGADSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131469
S=C(NC(C1C2CC(C1)CC2)C)Nc1sc2c(c1C(=O)OCC)CCCCCC2	PC-id_19651508	434.658	YJJMHNWWGXOZGH-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131470
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1scc(n1)C(C)(C)C	PC-id_30376995	434.662	OJBVBNMJUOSRTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131471
ClC(Sc1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1)C(F)(F)F	PC-id_78852131	434.864	VNTNWDGRVRQDAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131472
O=C([C@@H]1COCC1)NCc1nnc2n1CC[N@H+](CC2)Cc1cc2OCOc2cc1Cl	GD-id_ZINC12128971	434.897	FGXAJSKFNUKSNS-ZDUSSCGKSA-O	00000010100000100101000000001010000000000000000000000000	31-01-131473
Clc1ccc(COc2c(OC)cc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_4688663,MCULE-2517033038,EMOLS-id_26092941	434.918	MUGWSGVKVVBORM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131474
Clc1ccc(COc2c(OC)cc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_6186533,CoCoCo_3456426	434.918	MUGWSGVKVVBORM-CPNJWEJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131475
Clc1ccc(COc2c(OC)cc(/C=C(c3n4CCCCCc4nn3)/C#N)cc2)cc1	PC-id_75460359,CoCoCo_3456427	434.918	MUGWSGVKVVBORM-UYRXBGFRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131476
N#Cc1c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCCC2	PC-id_3893105,ZINC22_9440814,MCULE-8693245493,EMOLS-id_48984736,CoCoCo_3789114	434.92	PJKIRWKOVCKKKD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131477
Clc1cc(C(=O)C2CNCCc3sccc23)ccc1CNC(=O)CCC(=O)OC	PC-id_70105680,SCHEMBL7482408	434.936	RUZWAFRJEPXNPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131478
Clc1cc(C(=O)N2CCCCc3sccc23)ccc1CNC(=O)CCC(=O)OC	PC-id_15896095,SCHEMBL5229038	434.936	GTXDOZWONARYOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131479
Clc1c(NC(=O)CN(C(=O)COC(=O)c2sc3CCCCCc3c2)C)cccc1	PC-id_2665520	434.936	VJSRKECUJOVCMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131480
COCCC(=O)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2c1ccs2	PC-id_142654246	434.936	IWJUDVSAXSZVQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131481
CCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](CC2)Cc1cc2OCOc2cc1Cl)C(C)C	GD-id_ZINC12041747	434.94	ZWRPVSVENROUBN-HXUWFJFHSA-O	00000010100000100101000000001010000000000000000000000000	31-01-131482
Clc1c(nc(N2CCCC2)nc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_55777454	434.94	KQEUHTADNDCLQH-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-131483
Clc1ccc(SCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_3635576	434.959	ZBEAQLKDAHGJRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131484
Clc1c(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc(SC)cc1	PC-id_3566637	434.959	MREMQZBALPTKLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131485
Clc1c(OCCCC)c(OCC)cc(C(=O)NCCc2n3CCCCCc3nn2)c1	PC-id_60389600	434.96	IAIHNMKOSINSQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131486
c1(NC(=O)CCCOc2ccc(cc2C)Cl)sc2c(CCCCCC2)c1C(=O)N	MCULE-9319068919,CoCoCo_895704,PC-id_2164551,ZINC22_2742947,EMOLS-id_2439961,TIMTEC60078	434.979	ARAXHXVCKSWEOP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131487
c1(NC(=O)C(C)(C)Oc2cc(C)ccc2Cl)sc2c(CCCCCC2)c1C(=O)N	PC-id_4512918,MCULE-6347346920,TIMTEC92121,CoCoCo_6799137,EMOLS-id_4120708,ZINC22_17099350	434.979	CAIPHEXUZJDYNW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131488
CCNC(=NCC(c1ccc(cc1Cl)F)(C)C)NCCc1nnc2n1CCCCC2	PC-id_111569133	434.981	JFXLXBDHTNSIRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131489
CN=C(NCC(c1ccc(cc1Cl)F)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111569317	434.981	HGRXZICVMUTNPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131490
c12C(=O)N(CCCn1nc(C(=O)NCCCSCCC)c2)Cc1ccc(cc1)Cl	MCULE-6586110712,EMOLS-id_16324840,CoCoCo_2544650,PC-id_20964814	434.983	CHZXIAKJHYMPDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131491
CC1CCCCN(Cc2c(C1)c(C(=O)N)c(s2)NC(=O)Nc1ccc(cc1)Cl)C	PC-id_118321258,SCHEMBL17022001	434.983	QRNFFGPKIZRGIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131492
Clc1cc2NC(Nc2cc1)[C@@H](NC(=O)c1sc2C(CN(CCc2c1)C)C)COC	SCHEMBL8123084,PC-id_70280982	434.983	LZAOBXKMXZBDII-NDRIFHLMSA-N	00000010100000100101000000001010000000000000000000000000	31-01-131493
Clc1cc2NC(Nc2cc1)C(NC(=O)c1sc2C(CN(CCc2c1)C)C)COC	PC-id_77810396	434.983	LZAOBXKMXZBDII-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-131494
Clc1c(NC(=O)CN2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)cccc1	PC-id_29103009	434.986	HUMWMRUTOFOUNE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131495
CCCN1CCN(c2c(C1=C)n(Cc1ccc(cc1)Cl)c(n2)Cc1ccc(cc1)C)C	PC-id_135269267,SCHEMBL20432435	435.004	LSBRKQUTZDDLDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131496
CCNC(=NCCCc1nnc2n1CCCCC2)NCCSc1ccc(cc1)Cl	PC-id_111371999	435.029	MCFWPKJWOCKJBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131497
CC(C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_154682211	435.088	QINOQWLYMUTFNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131498
CC[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F	PC-id_155061984	435.088	VUGCIDZDIPYIMJ-VIFPVBQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-131499
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)CC[C@@H](NS2(=O)=O)CO	PC-id_155062027	435.088	PXAWMSBTJLTXKJ-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131500
C1CN(CC2=CC(=NN2C1)C(=O)O)C=COC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F	PC-id_149924699	435.102	CLYPZWUHRIDJKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131501
C1CC(C1)CC(=O)C2=NN3CCCN(CC3=C2)C(=O)OCC4=CC(=CC(=C4)Cl)Cl	PC-id_149357625	435.112	YHGNWZGNABNOST-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-131502
Brc1sc(Br)cc1C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_60746982	435.134	NPBXIDKVNTZKGM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-131503
Brc1cc(C)c(c(c1)F)Nc1sc2=CC(C=CC=c2n1)OC(F)(F)F	PC-id_142969102	435.234	XNERPQPYZQPORJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131504
CC(C)C(C(=O)CC1CC2=NC=C(O2)CCCNC(=O)C1=O)NC(=O)OCC(C)(C)C	PC-id_147011511	435.237	ATYKUMBDLVPLDY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131505
CC(C)C(C(=O)CC1CCC2=COC(=N2)CCNC(=O)C1=O)NC(=O)OCC(C)(C)C	PC-id_153017732	435.237	VBHXSRMCPNYMCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131506
CCCc1ccccc1Cn1cnc(n1)C(=O)NC1CCn2c(cc(n2)CC)N(C1=O)C	PC-id_163913048	435.238	QTVZFKAHQJRSLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131507
Brc1cc(sc1Br)C(NC)c1sc2c(CCCCC2)c1	PC-id_80533140	435.24	BSNFQKKIJRNZDT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-131508
Brc1sc(Br)cc1C(NC)c1sc2c(CCCCC2)c1	PC-id_43486877	435.24	ZAENRMNHQRTSOD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-131509
CC1CCn2c(S(=O)(=O)N1)c(nc2C(=O)Nc1ccc(c(c1)F)F)Br	SCHEMBL18352889	435.244	KSDOAWWXFDHWTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131510
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CC(C)(C)COC(=O)C3CCOCC3	PC-id_155203759	435.273	HLBZHDFGMPCZMX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131511
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3CCC(CC3)O	PC-id_155171344	435.273	VOHILITUIQHLKP-WWDZGPRUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-131512
ClC(Cl)(C(=O)Oc1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)C	CoCoCo_3735109,PC-id_6005877	435.304	YKDNEBKTGBHGJS-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131513
ClC(Cl)(C(=O)Oc1c(OC)cc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)C	CoCoCo_3735110,PC-id_75408747	435.304	YKDNEBKTGBHGJS-UVTDQMKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131514
ClC(Cl)(C(=O)Oc1c(OC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1)C	MCULE-6058810227,EMOLS-id_301018369,PC-id_4084187	435.304	YKDNEBKTGBHGJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131515
Clc1c(Cn2nccc2NC(=O)Cn2nc3n(CCCCC3)c2=O)c(Cl)ccc1	PC-id_78846891	435.307	SUZHXMRRWSWCGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131516
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccnn1Cc1cccc(Cl)c1Cl	ZINC22_1317775676,PC-id_138994186,MCULE-8520414386,EMOLS-id_320310757	435.307	QFBNHRFUHYREJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131517
Brc1ccc(C2OCCN(C2)C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56086955	435.315	UIFWCIBTIOLVLN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-131518
Brc1ccc(CC(CCCCn2c3C(O)CN=CNc3nc2)C(=O)O)cc1	PC-id_10646521	435.315	KJYPRKDUYYSNAF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131519
Brc1ccc(CC(CCCCn2c3NC=NCC(O)c3nc2)C(=O)O)cc1	PC-id_10526862,CHEMBL289052,BindingDB_PC-id_10526862	435.315	ZMELRSSTECEKFZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131520
Brc1cc(CC(CCCCn2c3C(O)CN=CNc3nc2)C(=O)O)ccc1	PC-id_10598985	435.315	ABXMXRXSHPKCCE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131521
Brc1c(CC(CCCCn2c3C(O)CN=CNc3nc2)C(=O)O)cccc1	PC-id_10741535	435.315	BLIPWBRRSMKSDX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131522
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)Cc1cccc(Br)c1	BindingDB_PC-id_10694161,PC-id_10694161,CHEMBL38113	435.315	DYWCQKFPKGFRJQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131523
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)Cc1ccccc1Br	PC-id_10550836,CHEMBL36045,BindingDB_PC-id_10550836	435.315	WFXQCDCLSNIHRG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-131524
C1CN(Cc2cc(nn2C1)C=O)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16100575,PC-id_90461180	435.32	UUZSJLWLUYKVQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131525
CCOC(=O)C(c1ccc2-c(cc1)c(c(c2OC(=O)O)N)OC(=O)O)C(=O)NC(=O)N	SCHEMBL8469834,PC-id_67593378	435.342	RTWNPGXKFPZBFP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-131526
CCOC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)sc2c1CCCCC2	TIMTEC100808,EMOLS-id_5383826,MCULE-9599132263,CoCoCo_6918392,SPECS-id_AK-968/11283086,ZINC22_6599654,PC-id_3113542	435.357	CKCFCDAWOUWTRQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-131527
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC	PC-id_4442727	435.357	UQAUNMXQROELJY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-131528
Brc1c(C(N(C(=O)Cn2nc3n(CCCCC3)c2=O)CCC)C)cccc1	PC-id_55882351	435.358	ARCYOYURMAXVPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131529
OC(=O)c1cc2n(n1)CCCN(C2)CCCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL17509125,PC-id_118875571	435.363	JMPJRRKNUNKOFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131530
FC(F)(F)c1n2CCCN(C(c2nn1)C)C(=O)C[C@H](N)Cc1c(F)cc(F)c(F)c1	SCHEMBL3840704,PC-id_9912652	435.367	DNEWPDSCAGVUSJ-HCCKASOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131531
FC(F)(F)c1n2CCCN(C(c2nn1)C)C(=O)CC(N)Cc1c(F)cc(F)c(F)c1	PC-id_72830805	435.367	DNEWPDSCAGVUSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131532
FC(F)(F)c1n2CCCN([C@@H](c2nn1)C)C(=O)C[C@H](N)Cc1c(F)cc(F)c(F)c1	PC-id_11396413	435.367	DNEWPDSCAGVUSJ-MWLCHTKSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131533
Clc1cc(c2sc(C(=O)NCCc3n4CCCCCc4nn3)cc2)cc(Cl)c1	MCULE-6703589995,EMOLS-id_33354631,PC-id_51119517	435.37	NZSBNHXWBRMHQA-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-131534
Clc1n(nc(c1C(=O)Nc1sc2CCCCCc2n1)C)Cc1c(Cl)cccc1	PC-id_24611771	435.37	SLSWZXABAGSUDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131535
Brc1cc(c(NC(=O)CN(C(=O)c2sc3CCCCCc3c2)C)cc1)C	PC-id_26904883	435.378	CCPBDMDGPKYCEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131536
Brc1c(NC(=O)CN(C(=O)c2sc3CCCCCCc3c2)C)cccc1	PC-id_27800544	435.378	MGPUQQFTVWOCDJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131537
Brc1sc(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_26968592	435.379	FGXHSFVZHJEOSF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-131538
O=C(c1c(sc2c1CCCCC2)NC(=O)C(F)(F)F)c1cccc(c1)C(F)(F)F	SCHEMBL4147685,PC-id_11633478	435.383	BHUQRWSDUAKFBT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131539
c1(C(=O)Nc2sc3c(CCCCCC3)c2C#N)c(Cl)c2c(cc(cc2)Cl)s1	CoCoCo_6921852,MCULE-3609064910,SPECS-id_AK-968/15360928,EMOLS-id_5006144,ZINC22_2088491,PC-id_1746321	435.39	LJZHNGISTSLZJE-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-131540
c1(C(=O)Nc2sc3c(CCCCCC3)c2C#N)sc2c(c(ccc2)Cl)c1Cl	PC-id_4448510,ZINC22_8455733,TIMTEC419934,EMOLS-id_4121094,CoCoCo_5826984,SPECS-id_AK-968/15361274,MCULE-1284821010	435.39	RCBYIXNRIYIGFB-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-131541
[O-][N+](=O)c1nc2n(c1)CCN(CCO2)CC1=CC(=CNC1)c1ccc(cc1)C(F)(F)F	PC-id_145578241	435.4	CUUHCXPYPKJCFO-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-131542
O=C(c1n(C)cc2c1CCCCN(S2=O)CC(F)(F)F)Nc1ccc(c(c1)F)F	PC-id_139471016,SCHEMBL21337009	435.411	QCLXYYUEROQPEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131543
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1)Cc1cc(F)ccc1	PC-id_19523755	435.418	MLRVWWDSPAXREK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131544
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1)Cc1c(F)cccc1	PC-id_19523678	435.418	OHZUXUNIWXKWAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131545
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1nn(Cc2cc(F)ccc2)cc1	PC-id_19523790	435.418	NKWXUXYLWFLGRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131546
OC[C@H]1NS(=O)(=O)c2c(O[C@H]1C)c(n(c2)C)C(Nc1ccc(c(c1)C(F)F)F)O	SCHEMBL21337411,PC-id_139471414	435.418	SDTYYGXTYZZCIZ-QFUDWKFTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131547
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2=NC=CCC(=c12)[N+](=O)[O-])C(=O)c1ccccc1	PC-id_142081962	435.433	CQFPOZTUXRYIIS-CQSZACIVSA-N	00000000100010110111000000000010000000000000000000000000	31-01-131548
O=c1n2CCCCCc2nn1CC(=O)Nc1c(cc([N+](=O)[O-])cc1)C(=O)c1ccccc1	PC-id_78852042	435.433	IVWHLYCQVPOIRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131549
OCC1(NC(=O)c2ncn(c2NC1=O)Cc1ccccc1)NC(=O)OCc1ccccc1	PC-id_53323416,BindingDB_PC-id_53323416	435.433	ABRNNPZUOFSDJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131550
CCOC(=O)c1nc2c(s1)N(S(=O)(=O)c1ccc(C(F)(F)F)nc1)CCCC2	EMOLS-id_76028072,MCULE-9153754830,ZINC22_328594048,PC-id_121568048	435.441	LIFLTKQKLUZSJL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-131551
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1)Cc1cn(nc1)CC	PC-id_19523856	435.446	PXZMRUUTVYVRLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131552
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc(c2c(OC(F)F)cccc2)c1	PC-id_56443511	435.448	RLAPYZPFAGXRCI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131553
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1)F)c2)CC(=O)N(C)c1ccccc1	MCULE-1217588912,EMOLS-id_49751103,SPECS-id_AT-687/PE30346,PC-id_91906890,ZINC22_169759568	435.451	MAPCRDNQLGDFLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131554
Fc1ccc(NC(=O)CNC(=O)c2cc3C(=O)N(Cc4ccccc4)CCCn3n2)cc1	MCULE-5770070501,EMOLS-id_25387412,PC-id_46049878	435.451	FBLWCCOFFJSOEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131555
Fc1cc(NC(=O)CNC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)ccc1	PC-id_46159960	435.451	MQMAHPYKJIEFCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131556
CC(C(C(=O)NC1Cc2nnc(o2)CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730140,SCHEMBL21109291	435.454	SZUSEMJHFCUYHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131557
Cc1cccc2-c(c(c(c2Cl)C)[Si]c2c(c(c3-c2c(c(ccc3)C)C)Cl)C)c1C	PC-id_88054963	435.46	IQYGDKMOGIASTR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-131558
C=C/C=CC(=C(/Cc1cccc2c1/C(=C/c1[nH]c3c(c1C)C(=O)NCCC3)/C(=O)N2)F)F	PC-id_143515190	435.466	XDKHTCWHVXHKQC-DQJMORPLSA-N	00000010100000100100000000001010000000000000000000000000	31-01-131559
s1c(nc(C(=O)NCCc2n3CCCCCc3nn2)c1)c1cc(ccc1)C(F)(F)F	PC-id_56332458	435.466	FRMMNKJDJVWETH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131560
CC(CN1C(=O)C(CCn2c1cc(n2)C)NC(=O)c1ncn(n1)CC1CC(C1)(F)F)C	SCHEMBL19659581	435.471	KGCZXORPGPWBOO-UHFFFAOYSA-N	00001000100000000101000000000010000000000000000000000000	31-01-131561
c1(CN(c2ccc3c(OCO3)c2)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	PC-id_27443495,CoCoCo_2580281,MCULE-5508435596,EMOLS-id_10086608,ZINC22_16954136	435.476	CUPGBSUWAAKWOC-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-131562
c1(CN(c2ccc3c(OCO3)c2)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	PC-id_27444938,EMOLS-id_10086606,CoCoCo_2580280,MCULE-8616695501,ZINC22_16960470	435.476	MBZQQMVOVLAVBJ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-131563
c1(nnc2CCCCCn12)N(Cc1ccc2c(OCO2)c1)C(=O)Nc1ccc(cc1)OC	ZINC22_16769862,MCULE-9409389771,PC-id_4752741	435.476	XNRSOOBIDHGEFV-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-131564
CCNC(=O)c1ccc(cc1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580482,SCHEMBL14966204	435.476	QFYGSTUPGGYYOR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131565
CCNC(=O)c1cccc(c1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965896,PC-id_89580254	435.476	QVEAMMGKLZXNLB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131566
CN(C)C(=O)c1cccc(c1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580507,SCHEMBL14966243	435.476	QQWVLHLYJDSTHF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131567
COc1ccccc1C(=O)NCc1nnc2CCN(Cc3ccc4OCOc4c3)CCn12	EMOLS-id_20430927,CoCoCo_1173872,ZINC22_12036118,CoCoCo_1173871,PC-id_42367303,MCULE-7030515054	435.476	HCENFCDEYZDRAM-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-131568
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc3c(c2)OCO3)c1	MCULE-9558424695,PC-id_16458850,CoCoCo_6602355,ZINC22_28528001	435.476	VCEQHZKJDWUQBK-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-131569
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc3c(c2)OCO3)cc1	MCULE-9858860987,ZINC22_28528003,PC-id_16458851,CoCoCo_6602356	435.476	WZOFUQRSTFQRQK-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-131570
COc1ncc(cc1)CN1CCc2ncc(n2CC1)C(=O)NCc1cc2c(cc1)OCO2	PC-id_134810146	435.476	MWAZIDYAYMPNET-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-131571
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cc4ccccc4o2)CC3)o1	CoCoCo_1282303,ZINC22_20774766,EMOLS-id_20507685,ChEMBL-DNDi_CHEMBL29366443,CoCoCo_1282304,MCULE-7310291997,PC-id_29149821	435.476	AVYUUWLOJADOOV-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-131572
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1occc1)C)Cc1ccccc1	PC-id_46049853	435.476	XGGVFPPNVIWFQY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131573
O=c1n2CCCCCc2nn1CC(=O)N(c1c(n(CCC)c(=O)[nH]c1=O)N)CCOC	PC-id_55478157	435.477	WIHQUBXSIVIGMF-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131574
CCc1cc(=O)[nH]c(c2cccc(NC(=O)C(=O)NCc3nnc4n3CCCCC4)c2)n1	PC-id_137259087,ZINC22_40122171,CoCoCo_4922291,CoCoCo_4922292	435.479	AMPPBOVABCNGKW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131575
COc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC(F)F	CoCoCo_4650803,ZINC22_22766210,PC-id_30605493	435.487	FADFRJSBHQMHMD-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131576
COc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC(F)F	CoCoCo_4650804,PC-id_30605489,ZINC22_22766207	435.487	FADFRJSBHQMHMD-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131577
FC(Oc1ccccc1C(=O)N1CCCC1C(=O)Nc1nc2c(s1)CCCCC2)F	PC-id_112830746	435.487	PTVOANGYNGYNRF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131578
N#Cc1c(NC(=O)C(Nc2ccc(c(c2)OC(F)F)OC)C)sc2c1CCCCC2	MCULE-4710234457,EMOLS-id_44059011,PC-id_24652334	435.487	FADFRJSBHQMHMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131579
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCNC(=O)c1c(F)cc(F)cc1	PC-id_30494214	435.487	ZRUHIBMNWPOKAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131580
CN=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)NCc1nnc2n1CCCCC2	PC-id_111234055	435.489	UDIFKAWGISMMAB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-131581
Fc1cc(C=C2CCCCc3c2n(nc3OC(=O)NC(c2ccccc2)CO)C)ccc1	PC-id_77157916	435.491	KOVRWZOTXZEYQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131582
Fc1cc(/C=C/2CCCCc3c2n(nc3OC(=O)N[C@H](c2ccccc2)CO)C)ccc1	SCHEMBL300527,PC-id_66647538	435.491	KOVRWZOTXZEYQJ-SLTDHEAWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131583
Fc1ccc(cc1)C(=O)C1CCN(CC1)CC#CCn1ccc2c1C(=O)N(C)CCC2=O	SCHEMBL9040636,PC-id_19937392	435.491	ZALFEBJGHFQYMW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-131584
N#Cc1ccc(cc1)c1ccc(cc1)OCCCC(=O)OC1COc2c(OC1)csc2	PC-id_57838388,SCHEMBL13701390	435.492	NWOOILZKTIDVOG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131585
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)N(C)C)c2)Cc1ccc(cc1)F	CoCoCo_2544602,PC-id_20964768,MCULE-8887822345,EMOLS-id_16324748	435.494	FCBMCQSLNYTRAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131586
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)N(C)C)c2)Cc1cccc(F)c1	MCULE-5811485272,PC-id_53034547,EMOLS-id_32633050	435.494	PBDCPYFMHZSBKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131587
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)CNC(=O)c1cccc(c1)F	CoCoCo_1207925,CoCoCo_1207927	435.494	LVVGLZSXCMBCMT-ARJAWSKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131588
COc1ccc(/C=C/CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1	EMOLS-id_25994295,PC-id_26279490,CoCoCo_1207926,ZINC22_14883802,CoCoCo_1207928	435.494	LVVGLZSXCMBCMT-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131589
COC(=O)c1c(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)sc2c1CCCCC2	EMOLS-id_11976713,CoCoCo_3064810,MCULE-1590464618,ZINC22_3454129,PC-id_2574444,CHEMBL1501319	435.494	NDCHYFXSUYBLMZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-131590
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4ccc5OCCc5c4)CCn23)c1	ZINC22_12054876,EMOLS-id_20407152,MCULE-4499520301,CoCoCo_1141302,CoCoCo_1141301,PC-id_42381302	435.494	CQPQNNPULLGRFX-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-131591
Fc1c(C(=O)Nc2cc(C(=O)NCCc3n4CCCCCc4nn3)ccc2C)cccc1	PC-id_52588093	435.494	RUJHARFDASMKLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131592
n12CCN(CCc1nnc2CNC(=O)c1cccc(F)c1)CC=Cc1ccc(cc1)OC	PC-id_74494235,MCULE-8479496786	435.494	LVVGLZSXCMBCMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131593
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)N(CCCC)C(=O)C1=O)C(=O)OC	PC-id_3666484	435.494	HLVJTFSFZDTCRL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-131594
s1c2CCCCCCc2nc1NC(=O)c1c([N+](=O)[O-])cc(OCCOC)c(OC)c1	PC-id_56060688	435.494	LYYGLERSXVJKGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131595
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)Nc1ccccc1	PC-id_1350667,ChEMBL-DNDi_CHEMBL5582896,MCULE-6337447302,EMOLS-id_1230917,BAS-00486728,CoCoCo_81723,ZINC22_1188580	435.496	GAQZKIAZZHUJDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131596
Cc1oc(c2ccccc2)nc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_3315507,ZINC22_3441290,MCULE-9396362762,PC-id_2561302,CoCoCo_2882400	435.496	FDPONTSQIMQVOZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131597
s1c2CCCCCc2cc1C(=O)NNC(=O)c1oc(COc2c(cccc2)C#N)cc1	PC-id_52670570	435.496	YGHFJIPGBMPHOU-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-131598
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1ccc(OCC#N)cc1)C#N	PC-id_41218265	435.496	FYMVLRDYBIFLGX-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131599
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1ccc(OCC#N)cc1)C#N	PC-id_74752911	435.496	FYMVLRDYBIFLGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131600
S(=O)(=O)(NC1CC1)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(OC)cc1	PC-id_55561535	435.497	ARGJJESNFWXDMX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-131601
N#Cc1c(NC(=O)COC(=O)c2nn(nc2C)c2ccccc2)sc2c1CCCCC2	PC-id_24379729,GD-id_ZINC21465846	435.499	QEHGRKROGGWXMO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131602
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1ccc(n2nccc2)nc1)C)C#N	PC-id_55522484	435.499	LGGVISRYBLQBMK-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-131603
CC(C(=O)Nc1scc(n1)c1ccc(c(c1)F)F)Sc1nnc2n1CCCCC2	PC-id_4854918,EMOLS-id_3466450,MCULE-6780632659	435.514	QMRRMLSJTHGUCS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131604
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1nc(c2ccc(F)c(F)c2)cs1	ZINC22_9666389,CoCoCo_3081742,PC-id_41167475	435.514	QMRRMLSJTHGUCS-NSHDSACASA-N	00000000100000110101100000000010000000000000000000000000	31-01-131605
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1nc(c2ccc(F)c(F)c2)cs1	ZINC22_9666391,CoCoCo_3081743,PC-id_41167477	435.514	QMRRMLSJTHGUCS-LLVKDONJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131606
CC1=c2c(=C(C(=CO1)OC)CN1CC[C@@H](C[C@H]1C1=CC=C(C#C1)C(=O)NC)OC)cc[nH]2	SCHEMBL20012389,PC-id_134382964	435.515	OBQBVKHXVZLBDC-UGKGYDQZSA-N	00000000100011100110100000000010000000000000000000000000	31-01-131607
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCCc1c2c([nH]c1)cccc2)C#N	PC-id_4291115	435.539	XRMGOSWNRKGNQP-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-131749
CCc1ccc([C@H](C)N(Cc2nc(C)c(C)o2)C(=O)c2cc3c(o2)CCCNC3=O)cc1	ZINC22_1875343614	435.515	OTSLNPWOXFOKOH-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131608
CCc1ccc([C@@H](C)N(Cc2nc(C)c(C)o2)C(=O)c2cc3c(o2)CCCNC3=O)cc1	ZINC22_1875343615	435.515	OTSLNPWOXFOKOH-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131609
Fc1cccc(c1)C(=O)NCc1nnc2CCN(Cc3cc4ccccc4s3)CCn12	PC-id_28464521,ZINC22_19939268,EMOLS-id_20658489,MCULE-6205743862,ChEMBL-DNDi_CHEMBL67464664	435.517	IWHTZXCQWKCWTC-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-131610
O=C(c1sc2c(c1)CCCCCC2)NNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C	EMOLS-id_44070971,PC-id_30782322,MCULE-8843924507	435.517	QQNTVXCSGUVGKA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-131611
O=C(Nc1ccc(C(=O)N2CCCCc3[nH]ccc23)cc1)c1ccccc1c1ccccc1	PC-id_11270497,BindingDB_PC-id_11270497,CHEMBL175211	435.517	CZEMALQIHKWPAQ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-131612
O=C(NC(C(=O)NC1Cc2cnn(c2)CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138731127,SCHEMBL21110287	435.517	OQDJGYIMWHTSJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131613
O=C(NC(C(=O)NC1Cc2cn[nH]c2CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138731135,SCHEMBL21110295	435.517	UGDGPPSXJXDNMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131614
O=C(NC(C(=O)NC1Cc2[nH]nc(c2)CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21109619,PC-id_138730464	435.517	PRJDUSGUZJBTGB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131615
O=C(NC(C(=O)NC1CCc2cnn(c2)CCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138730710,SCHEMBL21109867	435.517	OAURBHWKEQKZNL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131616
O=C(NC(C(=O)NC1CCc2[nH]nc(c2)CCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138731074,SCHEMBL21110232	435.517	DRNKFJFWJYNFMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131617
s1c2c(CCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(OC)cc1)C(=O)OC	PC-id_20411890	435.517	GYZGFDOIPBYVFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131618
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC)ccc([N+](=O)[O-])c1)C(=O)OC	PC-id_20412411	435.517	IGGPQVIGCFRJNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131619
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC)cc([N+](=O)[O-])cc1)C(=O)OC	PC-id_20412536	435.517	MFYHDOBYNLDJIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131620
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(C(=O)C#Cc3ccccc3)CCn12	PC-id_45166587,EMOLS-id_232736691,MCULE-5849064253	435.519	QOWPSCAWTDOXOM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131621
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3cccc(OC)c3O)CCn12	MCULE-5845229424,PC-id_45176911,EMOLS-id_20428049	435.519	ADTSMZIKICHRCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131622
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3ccc(c(OC)c3)O)CCn12	PC-id_45165709,MCULE-9008825904,EMOLS-id_20412272,ChEMBL-DNDi_CHEMBL13300678	435.519	RUMDEUSQOQRWIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131623
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccccc3OC)CCn12	EMOLS-id_20571383,PC-id_45209832,MCULE-5050635715	435.519	MQLFKJANWXOHEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131624
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(cc3)OC)CCn12	EMOLS-id_232717859,MCULE-5409940973,PC-id_45929617	435.519	NGQLCRRGUVOYHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131625
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3cccc(OC)c3)CCn12	PC-id_45208336,EMOLS-id_20564845,MCULE-7663322298	435.519	AWRQAAITSNCDNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131626
c1(C(C)NC(=O)c2ccoc2C)nnc2CCN(CC=Cc3ccc(cc3)OC)CCn12	PC-id_74503114,MCULE-5959270924	435.519	SNSBCCQUNWYOFE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131627
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3ccccc3OCC=C)CCn12	CoCoCo_1474252,PC-id_26333134,MCULE-9273524166,EMOLS-id_20637081,ZINC22_14977126,CoCoCo_1474251	435.519	BLWVUHQOMWWCPU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131628
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(CC=Cc3ccc(cc3)OC)CCn12	MCULE-6135822571,PC-id_74801644	435.519	ZBDHEFYJMKKTTR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131629
c1(CN(c2ccccc2OCC)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	EMOLS-id_5571350,ZINC22_9712817,CoCoCo_5142786,MCULE-3019801641,PC-id_18573749,ChEMBL-DNDi_CHEMBLF2559-0231	435.519	SSLZANMHCXWAST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131630
c1(CN(c2ccc(cc2)OCC)C(=O)Nc2ccccc2OC)nnc2CCCCCn12	PC-id_18573746,CoCoCo_5142781,ZINC22_9712812,EMOLS-id_5571344,ChEMBL-DNDi_CHEMBLF2559-0177,MCULE-4568437870	435.519	AGOBYBFYWILNLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131631
c1(CN(c2ccc(cc2)OCC)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	PC-id_18573748,ZINC22_9712815,CoCoCo_5142783,MCULE-5969730161,EMOLS-id_5571348,ChEMBL-DNDi_CHEMBLF2559-0179	435.519	VKWIGNCADVRYGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131632
c1(CN(c2ccc(cc2)OCC)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	Chemmine_46433,EMOLS-id_5571346,MCULE-3644976623,ZINC22_9712814,ChEMBL-DNDi_CHEMBLF2559-0178,CoCoCo_5142782,PC-id_18573747	435.519	CTJIEFZCFCWXIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131633
c1(CN(c2ccc(cc2OC)OC)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	PC-id_27505552,MCULE-5581874090,EMOLS-id_10086460,ZINC22_17042300,CoCoCo_2580188	435.519	QRIZXKXCRWQFHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131634
c1(CN(c2ccc(cc2OC)OC)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	CoCoCo_2580187,ZINC22_17135387,MCULE-2179459365,EMOLS-id_10086458,PC-id_27542686	435.519	QSIMMWSHXXRYDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131635
c1(CN(c2ccc(c(OC)c2)OC)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	PC-id_27505549,ChEMBL-DNDi_CHEMBLF2559-0420,MCULE-7771708121,EMOLS-id_10086802,CoCoCo_2580298,ZINC22_17042295	435.519	GKAZDAFBRKDPCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131636
c1(CN(c2ccc(c(OC)c2)OC)C(=O)Nc2ccccc2C)nnc2CCCCCn12	ZINC22_17135992,CoCoCo_2580296,EMOLS-id_10086896,PC-id_27543061,MCULE-2164619537	435.519	CEZXJZKBTVKHRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131637
c1(CN(c2ccc(c(OC)c2)OC)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	PC-id_27542685,CoCoCo_2580297,ChEMBL-DNDi_CHEMBLF2559-0419,MCULE-3825927787,ZINC22_17135386,EMOLS-id_10086800	435.519	HSTQWPFTUJLACW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131638
c1(CN(c2c(OC)ccc(OC)c2)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	ZINC22_27526571,PC-id_34883609,MCULE-1708646069,EMOLS-id_10086480,CoCoCo_6271511	435.519	ODGOCQMFJCKTFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131639
c1(CN(c2c(OC)ccc(OC)c2)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	ZINC22_11025939,ChEMBL-DNDi_CHEMBLF2559-0293,EMOLS-id_10086478,PC-id_41783098,MCULE-3011295541,CoCoCo_2580264	435.519	CLKYWTMPXIFJDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131640
c1(C(=O)N2CCN(CC2)C(=O)C2CC(=O)N(c3ccccc3)C2)c2CCCCCc2[nH]n1	MCULE-4059829668,EMOLS-id_323253946	435.519	DGZWEPOHESOSHK-UHFFFAOYSA-N	00000010100010110101100000000010000000000000000000000000	31-01-131641
C1(NC(=O)C2CCN(CC2)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1	EMOLS-id_25386832,MCULE-7772700726,PC-id_46049481	435.519	KSNTYNORNJECPQ-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-131642
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)OCC)C(=O)Nc1ccccc1OC	MCULE-4264089981,ZINC22_16769772,PC-id_4752573	435.519	MREKWYZSTKYCTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131643
c1(nnc2CCCCCn12)N(Cc1ccc(c(OC)c1)OC)C(=O)Nc1ccc(cc1)C	MCULE-8451023149,PC-id_4752751,ZINC22_16769870	435.519	MGAMALLOLZJKNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131644
c1(nnc2CCCCCn12)N(Cc1ccc(c(OC)c1)OC)C(=O)Nc1ccccc1C	PC-id_4752783,MCULE-8440641075,ZINC22_16769888	435.519	AMXGQORCILXJAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131645
c1(nnc2CCCCCn12)N(Cc1ccc(c(OC)c1)OC)C(=O)Nc1cccc(C)c1	MCULE-7133739259,ZINC22_16769868,PC-id_4752750	435.519	BNWPEGKWYFKYDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131646
c1(nnc2CCCCCn12)N(Cc1cc(OC)ccc1OC)C(=O)Nc1cccc(C)c1	PC-id_4752735,MCULE-7825488360,ZINC22_16769856	435.519	RUACDNANGPWPJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131647
CC(C[C@@H](c1nnc2n1CCN(CC2)C(=O)c1ccc(cc1)c1ccco1)NC(=O)C)C	CoCoCo_1138759	435.519	NQMJPBLIJHTXOK-FQEVSTJZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-131648
CC(C[C@H](c1nnc2n1CCN(CC2)C(=O)c1ccc(cc1)c1ccco1)NC(=O)C)C	CoCoCo_1138760	435.519	NQMJPBLIJHTXOK-HXUWFJFHSA-N	00000000101000110101100000000010000000000000000000000000	31-01-131649
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)C#Cc1ccccc1)CC2	ZINC22_12024068	435.519	QOWPSCAWTDOXOM-DENIHFKCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131650
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)C#Cc1ccccc1)CC2	ZINC22_12024074	435.519	QOWPSCAWTDOXOM-KNQAVFIVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131651
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)C#Cc1ccccc1)CC2	ZINC22_12024080	435.519	QOWPSCAWTDOXOM-SIKLNZKXSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131652
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)C#Cc1ccccc1)CC2	ZINC22_12024084	435.519	QOWPSCAWTDOXOM-UGKGYDQZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131653
CCOc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(OC)cc1	MCULE-2535848376,PC-id_16458844,ZINC22_28527989,CoCoCo_6602349	435.519	ISGNJZBTQGTJSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131654
CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2OC)cc1	CoCoCo_6601909,ZINC22_28527793,MCULE-4702132146,PC-id_16458760	435.519	SLLRJEWYFUJJDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131655
CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(OC)c2)cc1	ZINC22_28527983,MCULE-3193310162,CoCoCo_6602346,PC-id_16458841	435.519	PJLVGCPMWQXEAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131656
CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(OC)cc2)cc1	ZINC22_28527946,PC-id_16458823,MCULE-5954489140,CoCoCo_6602290	435.519	HIUSUSWKHJGVMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131657
CN(CCc1ccccn1)C(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	EMOLS-id_207876653,MCULE-1206203216	435.519	ZKCYKDXVTBVGCH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-131658
COc1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2[C@H](NC(=O)c1ccoc1C)C	CoCoCo_1643357,CoCoCo_1643359	435.519	SNSBCCQUNWYOFE-VGOKWCNXSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131659
COc1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2[C@@H](NC(=O)c1ccoc1C)C	CoCoCo_1643361,CoCoCo_1643363	435.519	SNSBCCQUNWYOFE-CHYADLBTSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131660
s1c2CCCCCCc2nc1NC(=O)c1cc(COc2c(cccc2)C(=O)N)ccc1	PC-id_56115399	435.539	WBKSASOJKXZAGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131750
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cccc(OC)c3)CCn12	CoCoCo_1458272,ChEMBL-DNDi_CHEMBL57927253,EMOLS-id_20626737,MCULE-2488081798,PC-id_26326467,ZINC22_14967497,CoCoCo_1458271	435.519	ZXZMVWMTQCAGOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131661
COc1ccc(/C=C/CN2CCc3nnc(C(C)NC(=O)c4ccoc4C)n3CC2)cc1	PC-id_45252287,EMOLS-id_26024625	435.519	SNSBCCQUNWYOFE-SNAWJCMRSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131662
COc1ccc(/C=C/CN2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc1	PC-id_26402139,CoCoCo_1643360,ZINC22_15070919,CoCoCo_1643358	435.519	SNSBCCQUNWYOFE-LAQIPUCWSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131663
COc1ccc(/C=C/CN2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)cc1	PC-id_26402141,CoCoCo_1643362,ZINC22_15070922,CoCoCo_1643364	435.519	SNSBCCQUNWYOFE-BDUNBXCCSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131664
COc1ccc(/C=C/CN2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)cc1	CoCoCo_1312820,CoCoCo_1312822,ZINC22_12125138,EMOLS-id_44852417,CoCoCo_1312821,PC-id_42419032,CoCoCo_1312819	435.519	ZBDHEFYJMKKTTR-SNAWJCMRSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131665
COc1cccc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)c1	PC-id_45169610,MCULE-3705448365,EMOLS-id_20396524	435.519	NEQGEYPRCYACMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131666
COc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)c1O	CoCoCo_1169856,CoCoCo_1169855,ZINC22_11788336,PC-id_42168852	435.519	ADTSMZIKICHRCS-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131667
COc1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)c1O	CoCoCo_1169858,PC-id_42168854,ZINC22_11788337,CoCoCo_1169857	435.519	ADTSMZIKICHRCS-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131668
COc1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccc(OC)c4)n3CC2)c1	CoCoCo_1365601,ZINC22_12283343,CoCoCo_1365602	435.519	AWRQAAITSNCDNS-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131669
COc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccc(OC)c4)n3CC2)c1	ZINC22_12283340,CoCoCo_1365600,CoCoCo_1365599	435.519	AWRQAAITSNCDNS-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131670
COc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c1	PC-id_42247935,CoCoCo_1127167,CoCoCo_1127166,ZINC22_11881932	435.519	NEQGEYPRCYACMP-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131671
COc1cccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c1	PC-id_42247937,ZINC22_11881933,CoCoCo_1127169,CoCoCo_1127168	435.519	NEQGEYPRCYACMP-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131672
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccccc2OC)CC3)c1	CoCoCo_1375299,ZINC22_14989814,CoCoCo_1375300	435.519	MQLFKJANWXOHEU-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131673
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccccc2OC)CC3)c1	ZINC22_14989816,CoCoCo_1375298,CoCoCo_1375297	435.519	MQLFKJANWXOHEU-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131674
COc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1	PC-id_26275481,CoCoCo_1193799,CoCoCo_1193800,EMOLS-id_20445395,ZINC22_14879574,MCULE-7741743712	435.519	WCBNCIGVAQCJOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131675
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccc(OC)c4)n3CC2)cc1	ZINC22_11783115	435.519	NGQLCRRGUVOYHY-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131676
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccc(OC)c4)n3CC2)cc1	ZINC22_11783116	435.519	NGQLCRRGUVOYHY-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131677
COc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c(OC)c1	CoCoCo_1357137,PC-id_29258510,CoCoCo_1357138,EMOLS-id_20559089,MCULE-6865259553,ZINC22_20999255	435.519	OFZSWWXBVVCPBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131678
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)ccc1O	ZINC22_11972801	435.519	RUMDEUSQOQRWIQ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131679
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)ccc1O	ZINC22_11972810	435.519	RUMDEUSQOQRWIQ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131680
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2C)cc1OC	CoCoCo_6602608,PC-id_16458971,ZINC22_28534828,MCULE-2668254103	435.519	QUCAEHBZFSQGIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131681
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)cc1OC	MCULE-9058660932,ZINC22_28534693,PC-id_16458907,CoCoCo_6602511	435.519	HEZMKJLIDLVAOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131682
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(C)cc2)cc1OC	ZINC22_28534695,MCULE-4039163389,PC-id_16458908,CoCoCo_6602512	435.519	HAFAPCWMSOVYKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131683
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)c(OC)c1	ZINC22_28527933,MCULE-1691851971,CoCoCo_6602282,PC-id_16458815	435.519	DEPFQYPQLPXPDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131684
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(C)cc2)c(OC)c1	ZINC22_28527935,PC-id_16458816,MCULE-3351112817,CoCoCo_6602283	435.519	OTMWBBRJNDAESG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131685
COc1ccc(OC)c(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(C)cc2)c1	MCULE-3059395397,PC-id_16458784,ZINC22_28527848,CoCoCo_6602046	435.519	RBHZXKGPHVIROQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131686
COc1ccc(OC)c(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)c1	ZINC22_28527956,PC-id_16458828,CoCoCo_6602295,MCULE-2063887811	435.519	WNZVRSXMEXETHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131687
n12CCN(CCc1nnc2CCNC(=O)C1CCCO1)Cc1ccccc1c1ccco1	MCULE-9180482939,EMOLS-id_20536475,PC-id_45201851	435.519	XETPNNWATJRJKG-UHFFFAOYSA-N	00000010101000110101100000000010000000000000000000000000	31-01-131688
n12CCN(CCc1nnc2CNC(=O)Cc1ccccc1)Cc1cccc(OCCO)c1	ZINC22_12190248,MCULE-3252801761,EMOLS-id_20544321,CoCoCo_1335297,PC-id_42451220,CoCoCo_1335296	435.519	CAUFCHOAERNSFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131689
O=C(C1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)N1CCCC1	PC-id_46049584,EMOLS-id_25387312,MCULE-5494269312	435.519	CYOWTLLEGHHQHT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131690
O=C(c1occc1COc1ccccc1)N1CCN(Cc2nnc3n2CCCCC3)CC1	MCULE-9684971925,PC-id_30177539,CoCoCo_4526335,EMOLS-id_23713530,ZINC22_22283495	435.519	HCYGDXAECRGOSL-UHFFFAOYSA-N	00000000101010110101000000000010000000000000000000000000	31-01-131691
O=C([C@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NC1CC1	PC-id_93332208	435.519	NDLVFUZHJHWIHJ-HXUWFJFHSA-N	00100000100010110101000000000010000000000000000000000000	31-01-131692
O=C([C@@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NC1CC1	PC-id_93332209	435.519	NDLVFUZHJHWIHJ-FQEVSTJZSA-N	00100000100010110101000000000010000000000000000000000000	31-01-131693
O=C(N1CCn2c(nnc2CC1)C(NC(=O)C)CC(C)C)c1ccc(cc1)c1occc1	PC-id_45171619	435.519	NQMJPBLIJHTXOK-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-131694
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1oc(cc1)COc1ccccc1	PC-id_46691893	435.519	UQPQSRMEMRHKIK-UHFFFAOYSA-N	00000000101010110101000000000010000000000000000000000000	31-01-131695
O=C(NC1CC1)C1CCCCN1C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049467,EMOLS-id_25387226,MCULE-7541642245	435.519	NDLVFUZHJHWIHJ-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-131696
O=C(N(C1CC1)CCC(=O)NC1CC1)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049955	435.519	LXSXJAVWVFYFPO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-131697
O=CNc1cc(C)c2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN(C)C)/C(=O)N2	PC-id_145511603	435.519	LGEUMCJGQHKFHV-PDGQHHTCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-131698
O=C(NCC1CC1)C1N(CCC1)C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049582	435.519	KQSZVVBOQQNODB-UHFFFAOYSA-N	00100010100000110101000000000010000000000000000000000000	31-01-131699
O=C(NCCc1nnc2n1CCN(Cc1ccccc1c1ccco1)CC2)[C@@H]1CCCO1	CoCoCo_1324104,CoCoCo_1324106,ZINC22_20912103	435.519	XETPNNWATJRJKG-NRFANRHFSA-N	00000010101000110101100000000010000000000000000000000000	31-01-131700
O=C(NCCc1nnc2n1CCN(Cc1ccccc1c1ccco1)CC2)[C@H]1CCCO1	ZINC22_20912109,CoCoCo_1324105,CoCoCo_1324103	435.519	XETPNNWATJRJKG-OAQYLSRUSA-N	00000010101000110101100000000010000000000000000000000000	31-01-131701
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(c1ccc(C(CC)C)cc1)CC	PC-id_19523677	435.526	YAGQIEGHYJHGDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131702
Cn1nc(c(c1)C(=O)NOCC1CCCCc2c1sc(c2)C#CC(C)(C)C)C(F)F	PC-id_140633250	435.53	IEPLMROSXQFRKA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131703
c1(NC(=O)C2C3CCC(O3)C2C(=O)O)sc2c(CCCCCCC2)c1C(=O)OCC	MCULE-9530771606,PC-id_3481975,TIMTEC480862,EMOLS-id_4121422	435.534	UMAMRECRQJXFCC-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131704
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)O3)sc2c1CCCCCCC2	CoCoCo_5811293	435.534	UMAMRECRQJXFCC-IDCJVQTKSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131705
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)O3)sc2c1CCCCCCC2	CoCoCo_5811294	435.534	UMAMRECRQJXFCC-IHETXDGRSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131706
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)O3)sc2c1CCCCCCC2	CoCoCo_5811296	435.534	UMAMRECRQJXFCC-LTCOOKNTSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131707
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)O3)sc2c1CCCCCCC2	CoCoCo_5811297	435.534	UMAMRECRQJXFCC-MJSCVDMRSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131708
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2	PC-id_27527377,CoCoCo_5811292,ZINC22_17099632	435.534	UMAMRECRQJXFCC-DACLVMHWSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131709
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2	PC-id_51705324,ZINC22_35861221,CoCoCo_5811291	435.534	UMAMRECRQJXFCC-BODMPHMZSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131710
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2	PC-id_98274497,ZINC22_102031366	435.534	UMAMRECRQJXFCC-ZZCKCESHSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131711
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2	PC-id_98274498,ZINC22_102031371	435.534	UMAMRECRQJXFCC-USJZOSNVSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131712
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2	ZINC22_17099631,CoCoCo_5811295,PC-id_27527375	435.534	UMAMRECRQJXFCC-JFTQMJAMSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131713
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2	ZINC22_225591552,PC-id_100689917	435.534	UMAMRECRQJXFCC-DTDBQYNISA-N	00000010100010000100000000000110000000000000000000000000	31-01-131714
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2	ZINC22_225591581,PC-id_100689928	435.534	UMAMRECRQJXFCC-KNCCTNLNSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131715
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCC2	ZINC22_35861218,CoCoCo_5811290,PC-id_51705322	435.534	UMAMRECRQJXFCC-NONVJHHQSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131716
CCOC(=O)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCCCC2	ZINC22_239415433	435.534	UMAMRECRQJXFCC-DTTOXWODSA-N	00000010100010000100000000000110000000000000000000000000	31-01-131717
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCCCC2	ZINC22_239415434	435.534	UMAMRECRQJXFCC-KJWYOANISA-N	00000010100010000100000000000110000000000000000000000000	31-01-131718
c1(NC(=O)c2ccccc2Oc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3352009,CoCoCo_1738312,MCULE-3481540915,EMOLS-id_15925563,ZINC22_17297558	435.535	KSQFCHUKEWKOLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131719
Fc1ccc(cc1)N1CC[NH+](CC1)CCCn1ccc2c1C(=O)CCN(S2(=O)=O)C	GLL_PC-id_9845789	435.535	JMSRYLXLKAYOSC-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-131720
O=C(NNC(=O)c1cc2c(s1)CCCCC2)CSCC(=O)Nc1ccccc1F	PC-id_22108265,EMOLS-id_13563317,MCULE-5319969328,CoCoCo_3430033	435.535	LIKNWUKOVCAYER-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131721
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)OCC	PC-id_3352011	435.535	SVQPIZIPBKHRQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131722
Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1	EMOLS-id_20618739,CoCoCo_1446227,ZINC22_14961456,PC-id_26322678,ChEMBL-DNDi_CHEMBL55675530,CoCoCo_1446226,MCULE-7556861073	435.537	SYFFXSMEESGNKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131723
Cc1ccc(C)c(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1	PC-id_28312568,CoCoCo_1162283,ChEMBL-DNDi_CHEMBL14781839,MCULE-3976328661,ZINC22_19744580,CoCoCo_1162282,EMOLS-id_20422639	435.537	PWYZJJCECPWGCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131724
Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1C	CoCoCo_1174523,PC-id_28390308,CoCoCo_1174524,ZINC22_19836867,EMOLS-id_20431401,MCULE-7015686560	435.537	BUNVLXAHXPTXQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131725
Cc1cc(C)c(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1C	CoCoCo_1446051,ZINC22_14961384,MCULE-5152010759,PC-id_26322634,CoCoCo_1446052,EMOLS-id_20618643	435.537	JPHWZLRYYMXZOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131726
CC(Cc1ccc(cc1)CN1CCc2n(CC1)c(nn2)CNC(=O)c1cccc(c1)F)C	PC-id_28955157,CoCoCo_1234972,CoCoCo_1234973	435.537	UOGQKRCWZFSNIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131727
CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1	CoCoCo_1212658,CoCoCo_1212657,EMOLS-id_20458921,MCULE-1618902125,PC-id_26280938,ZINC22_14886461	435.537	GVLQFJGOWUJDOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131728
CC(CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1)c1ccccc1	MCULE-6325226106,EMOLS-id_20410140,PC-id_45172775	435.537	FREKWMRLBGUJCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131729
C[C@H](CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1)c1ccccc1	CoCoCo_1145213,CoCoCo_1145215,ZINC22_12097947,PC-id_42405743	435.537	FREKWMRLBGUJCC-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131730
C[C@@H](CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1)c1ccccc1	CoCoCo_1145216,ZINC22_12097943,PC-id_42405741,CoCoCo_1145214	435.537	FREKWMRLBGUJCC-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-131731
COc1ccc(cc1)c1csc(n1)Cc1cc(c2-c1ccccc2)C(=O)c1ccccc1	PC-id_139814864	435.537	DWRDJWHFSRBXMA-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-131732
Fc1ccc(CC(=O)NCCc2nnc3CCN(CCCc4ccccc4)CCn23)cc1	CoCoCo_1262612,ZINC22_12037373,EMOLS-id_20493999,MCULE-6281286125,PC-id_42368580,CoCoCo_1262611	435.537	XXLLUHHJKUKYQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131733
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1	PC-id_25703927	435.537	ZCZSLXULSUFONW-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-131734
c1(c2CCCCCc2sc1NC(=O)c1cccnc1)C(=O)Nc1ccc(cc1)OCC	MCULE-6191074629,CoCoCo_665998,EMOLS-id_2362697,ZINC22_1188649,PC-id_1350718	435.539	IHMXSBQHESVMEZ-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-131735
c1(c2CCCCCc2sc1NC(=O)c1ccncc1)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_1129474,PC-id_6618329,MCULE-3276863495,CK1489196,ZINC22_3100267,CoCoCo_665564	435.539	IOENLMCUTOTYCS-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-131736
c1(NC(=O)CCC(=O)Nc2ccccc2Oc2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_335023089,MCULE-1649406210	435.539	VKEPVAKNVLNBMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131737
c1(NC(=O)CCC(=O)Nc2ccc(cc2)Oc2ccccc2)sc2c(CCCCC2)n1	MCULE-4972668342,EMOLS-id_335078881	435.539	VUQOTKSAASNFMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131738
CC(C)C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	CoCoCo_1767812,PC-id_1920889,ZINC22_2301738	435.539	VLDWNBFZFIMHAA-LJQANCHMSA-N	00000010100000100100000000001010000000000000000000000000	31-01-131739
CC(C)C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	ZINC22_2301737,CoCoCo_1767811,PC-id_1920888	435.539	VLDWNBFZFIMHAA-IBGZPJMESA-N	00000010100000100100000000001010000000000000000000000000	31-01-131740
CCC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)Nc1sc2CCCCCc2c1C#N	ChEMBL-DNDi_CHEMBL4072-2562,MCULE-6539253430,EMOLS-id_3742930,STOCK2S-41891,TIMTEC587910,PC-id_5176300	435.539	ZBNDZCYGCUNHBX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-131741
CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1sc2CCCCCc2c1C#N	STOCK2S-45166,PC-id_3834780,ChEMBL-DNDi_CHEMBL4072-2561,EMOLS-id_3742934,MCULE-9169164876,TIMTEC503298	435.539	VLDWNBFZFIMHAA-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-131742
CC[C@H](C)[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	CoCoCo_1767813,PC-id_1914058,ZINC22_2293065	435.539	ZBNDZCYGCUNHBX-XOBRGWDASA-N	00000010100000100100000000001010000000000000000000000000	31-01-131743
CC[C@@H](C)[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	CoCoCo_1767814,ZINC22_2293064,PC-id_1914057	435.539	ZBNDZCYGCUNHBX-VLIAUNLRSA-N	00000010100000100100000000001010000000000000000000000000	31-01-131744
CC[C@@H](C)[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	CoCoCo_1767816,PC-id_1914059,ZINC22_2293066	435.539	ZBNDZCYGCUNHBX-JLTOFOAXSA-N	00000010100000100100000000001010000000000000000000000000	31-01-131745
CC[C@H](C)[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	PC-id_1914060,CoCoCo_1767815,ZINC22_2293067	435.539	ZBNDZCYGCUNHBX-VBKZILBWSA-N	00000010100000100100000000001010000000000000000000000000	31-01-131746
s1c2CCCCCc2c(c1NC(=O)CN(Cc1c(O)cccc1)Cc1occc1)C#N	PC-id_78821150	435.539	LXAVLRPECKNPPQ-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-131747
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCc1c2c([nH]c1)cccc2)C)C#N	PC-id_55418979	435.539	ILLBASCJEQFFIB-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-131748
Cc1c(C(=O)O)sc2[nH]c(=S)n(NC(=O)c3cc4c(s3)CCCCC4)c(=O)c12	TIMTEC114271,ZINC22_17099647,CoCoCo_6803612,EMOLS-id_4121456,MCULE-1943261558,PC-id_17370844	435.54	CZDKFROFCJSILK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-131751
COC(=O)c1ccc(cc1)CN1CCn2c(CC1)nnc2C(C(C)C)NS(=O)(=O)C	ChEMBL-DNDi_CHEMBL82022290,PC-id_45241202	435.54	FSZYXZMQKYIIPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131752
COC(=O)c1ccc(cc1)CN1CCn2c(CC1)nnc2[C@@H](C(C)C)NS(=O)(=O)C	CoCoCo_1574192,CoCoCo_1574191	435.54	FSZYXZMQKYIIPE-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131753
COC(=O)c1ccc(cc1)CN1CCn2c(CC1)nnc2[C@H](C(C)C)NS(=O)(=O)C	CoCoCo_1574193,CoCoCo_1574194	435.54	FSZYXZMQKYIIPE-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131754
s1c2CCCCCc2cc1C(=O)NN1C(=O)C2C(=C(SC2=NC1=S)C(=O)O)C	PC-id_73384753	435.54	NCCMNVWUULWFOB-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-131755
S(=O)(=O)(N(CC)CC)c1c(ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c1)C	PC-id_55477894	435.54	RPJOJYSICSLVRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131756
S(=O)(=O)(N(C(C)C)C)c1ccc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56073863	435.54	YJLRLZAOIFLOKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131757
S(=O)(=O)(NC(C)(C)C)c1c(CNC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_56123093	435.54	QBVKMKYHBQWKIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131758
S(=O)(=O)(NCCOC)c1cc(C(=O)NCCc2n3CCCCCc3nn2)c(cc1)C	PC-id_55534824	435.54	RIJNRJCIXFUSLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131759
C=CCN1C(=CS/C/1=C(c1nnc2n1CCCCC2)/C#N)c1cc(OC)ccc1OC	CoCoCo_3764090,PC-id_6006373	435.542	KUQBVWCNGUJHMA-NKFKGCMQSA-N	00000011100000110101100000000010000000000000000000000000	31-01-131760
C=CCN1C(=CS/C/1=C(/c1nnc2n1CCCCC2)C#N)c1cc(OC)ccc1OC	CoCoCo_3764091,PC-id_75459531	435.542	KUQBVWCNGUJHMA-PTGBLXJZSA-N	00000011100000110101100000000010000000000000000000000000	31-01-131761
C=CCN1C(=CSC1=C(c1nnc2n1CCCCC2)C#N)c1cc(OC)ccc1OC	PC-id_4086169,MCULE-5831970393	435.542	KUQBVWCNGUJHMA-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-131762
O(c1c(cc(C[NH+]2CCn3c(nnc3CCNC(=O)c3cccnc3)CC2)c(c1)C)C)C	PC-id_42238953	435.542	WZZIUNOPXPCQMZ-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-131763
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)C)CC2)c(c1)C)C)C	PC-id_42355760	435.542	VALNHQBVPQLUJQ-GOSISDBHSA-O	00000000100000111101000000000010000000000000000000000000	31-01-131764
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)C)CC2)c(c1)C)C)C	PC-id_42355764	435.542	VALNHQBVPQLUJQ-SFHVURJKSA-O	00000000100000111101000000000010000000000000000000000000	31-01-131765
O(c1c(cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)c(c1)C)C)C	PC-id_74798806	435.542	VALNHQBVPQLUJQ-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-131766
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N2CCCC2)cc1)C)c1occc1	PC-id_74799468	435.542	MNIMEKXUQVYALT-UHFFFAOYSA-O	00000010101000110101100000000010000000000000000000000000	31-01-131767
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(N2CCCC2)cc1)c1ccoc1	PC-id_42163726	435.542	ZBVAFYDXSGPXES-UHFFFAOYSA-O	00000010101000110101100000000010000000000000000000000000	31-01-131768
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N2CCCC2)cc1)C)c1occc1	PC-id_42364430	435.542	MNIMEKXUQVYALT-GOSISDBHSA-O	00000010101000110101100000000010000000000000000000000000	31-01-131769
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N2CCCC2)cc1)C)c1occc1	PC-id_42364434	435.542	MNIMEKXUQVYALT-SFHVURJKSA-O	00000010101000110101100000000010000000000000000000000000	31-01-131770
CCCCn1c(N)c(N(CC)C(=O)CSc2nnc3n2CCCCC3)c(=O)[nH]c1=O	CoCoCo_4054288,ZINC22_9533361,MCULE-4788316284,EMOLS-id_11834964,PC-id_16377290,CoCoCo_4054287	435.544	KYJIOFFAYQBLFD-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131771
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-8068199811,ChEMBL-DNDi_CHEMBLF2536-0128,PC-id_16032595,CoCoCo_5137895,EMOLS-id_22735416,CHEMBL1515927,ZINC22_8601634	435.557	OHZLBSNQPPMYJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131772
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)CC)cc1)C(=O)OCC	PC-id_41044578	435.557	MDQDHPKPQUFJMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131773
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C(=O)OC	PC-id_41148616	435.557	SNJUOYXBZZNTMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131774
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)CC)ccc1)C(=O)OCC	PC-id_41028727	435.557	DLBCVDYRBKLPAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131775
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)C(C)C)ccc1)C(=O)OC	PC-id_41147929	435.557	DGYIZIVTZCXYJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131776
s1c2c(CCCCC2)c(c1NC(=O)c1c(S(=O)(=O)CC)cccc1)C(=O)OCC	PC-id_41028425	435.557	OVISUXMEZNGQCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131777
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C)cc1)C(=O)OCC	PC-id_41139600	435.557	FMFMANGSCODCMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131778
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)CC)cc1)C(=O)OC	PC-id_41145859	435.557	JAXGUAIDUVJOJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131779
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccccc1)C(=O)OC	PC-id_41273122	435.557	XKMNOPITOWDUBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131780
s1c2c(CCCCC2)c(c1NC(=O)CCS(=O)(=O)c1ccc(cc1)C)C(=O)OC	PC-id_41151547	435.557	KUXWFTHEZXCFFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131781
s1c2c(CCCCC2)c(c1NC(=O)CCS(=O)(=O)c1ccccc1)C(=O)OCC	PC-id_41235105	435.557	TXCPZYIYLCRBDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131782
s1c2c(CCCCC2)c(c1NC(=O)CCS(=O)(=O)Cc1ccccc1)C(=O)OC	PC-id_41582923	435.557	YFAVALPNXLMJGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131783
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)Cc1ccccc1)C(=O)OCC	PC-id_41582017	435.557	VLVMFSLIQNVQQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131784
S(=O)(=O)(N1CCOCC1)c1cc(COC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_45647905	435.557	LPRQIMDBXWAFST-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131785
CCOC(=O)C1C2CCC(C1NC(=O)c1nn(c3c1CCCCC3)Cc1ccccc1)C2	SCHEMBL4248466,PC-id_68974225	435.559	YORBDZAPUUBUOV-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-131786
CCOC(=O)[C@H]1C2CCC([C@H]1NC(=O)c1nn(c3c1CCCCC3)Cc1ccccc1)C2	PC-id_66647464,SCHEMBL300377	435.559	YORBDZAPUUBUOV-BVISAALYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-131787
CC(c1ccc(c2-c(c1)c(C)cc2Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C)C	PC-id_102075939	435.603	CMCKYFBWZSEVCR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-131881
CCOC(=O)[C@@H]1C2CCC([C@@H]1NC(=O)c1nn(c3c1CCCCC3)Cc1ccccc1)C2	SCHEMBL4210859,PC-id_68957215	435.559	YORBDZAPUUBUOV-QCTQWFPSSA-N	00000010100010110101000000000110000000000000000000000000	31-01-131788
COc1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCOCC1)CCCCC3)/C(=O)N2	SCHEMBL6695153,PC-id_60113755	435.559	WGARLOIUIZPIFY-XLNRJJMWSA-N	00000010100010100101000000001010000000000000000000000000	31-01-131789
COc1ccc2c(c1)NC(=O)/C/2=Cc1[nH]c2c(c1CCCN1CCOCC1)CCCCC2	SCHEMBL6697517,PC-id_60113760	435.559	AWNCXBSBZBFQFK-XLNRJJMWSA-N	00000010100010100101000000001010000000000000000000000000	31-01-131790
O1CCN(CCCc2c3c([nH]c2C=C2c4c(NC2=O)ccc(OC)c4)CCCCC3)CC1	PC-id_72651842	435.559	WGARLOIUIZPIFY-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-131791
O1CCN(CCCc2c3c([nH]c2C=C2c4c(NC2=O)cc(OC)cc4)CCCCC3)CC1	PC-id_72651845	435.559	AWNCXBSBZBFQFK-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-131792
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1cccc(c1)OCCCNC1CC2CC1CC2	PC-id_21953069,SCHEMBL6092076	435.559	KQABIIKCRNCCAH-UHFFFAOYSA-N	00000010100010110100000000000110000000000000000000000000	31-01-131793
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)sc2c(CCCCC2)c1C(=O)NC	EMOLS-id_5523531,MCULE-8433919417,CoCoCo_5058673,ZINC22_9599755,PC-id_18561006	435.56	MFBLTNBLYDJYJL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131794
c1(NC(=S)NNC(=O)c2ccoc2C)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC299867,EMOLS-id_4121492,MCULE-7688501659,PC-id_3274174,CoCoCo_6799950	435.56	LYFILFNHNMCJDE-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-131795
Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1	SPECS-id_AQ-750/42209133,EMOLS-id_6890272,CoCoCo_4620564,PC-id_2241491,MCULE-1241079389,ZINC22_2889365	435.56	IILPJMUXIPZKBE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131796
CCCc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)n1	EMOLS-id_43737368,CoCoCo_2965743,CoCoCo_2965741,MCULE-9671578330,CoCoCo_2965742,ZINC22_15879762,PC-id_135532262	435.56	KQPWXWNZMDIEQV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131797
CCCNC(=O)c1c(NC(=O)NS(=O)(=O)c2ccccc2)sc2c1CCCCC2	CHEMBL574651,PC-id_45112560	435.56	OUDXNOQMKPCNTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131798
COC(=O)c1c(NC(=O)CSc2nc(C)c(C)c(O)n2)sc2CCCCCCc12	ZINC22_15022370,TIMTEC372904,PC-id_135413863,MCULE-1388619511,EMOLS-id_6828695	435.56	PBTABJURSBQQGE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131799
O=C(c1cccc(c1)S(=O)(=O)NCC1CCCO1)Nc1nc2c(s1)CCCCC2	PC-id_42940806,EMOLS-id_17216697,MCULE-1828948917	435.56	HGJGMNNQPDUDBR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131800
O=C(Nc1nc2c(s1)CCCCC2)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1	CoCoCo_4639536,PC-id_32295709,ZINC22_24986216	435.56	HGJGMNNQPDUDBR-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131801
O=C(Nc1nc2c(s1)CCCCC2)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1	CoCoCo_4639537,ZINC22_24986212,PC-id_32295705	435.56	HGJGMNNQPDUDBR-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131802
O(C(=O)NC1(CCCCCC1)CNC(=O)Cn1nc2n(CCCCC2)c1=O)C(C)(C)C	PC-id_55620266	435.56	KBGNEIUNRVRNHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131803
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(ccc(S(=O)(=O)NCC)c1)C	PC-id_43004234	435.56	SHRKKTVOLUEVTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131804
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(NS(=O)(=O)CCC)ccc1	PC-id_36760155	435.56	KMXTVGNMWJYRFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131805
s1c2CCCCCc2cc1C(=O)NNC(=O)CN(S(=O)(=O)C)c1c(cccc1)C	PC-id_31846092	435.56	WGJSIQCUVXKCTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131806
s1c2c(CCCCC2)c(c1NC(=O)CCC1C(=NC(=NC1=O)SC)C)C(=O)OC	PC-id_75889201	435.56	CQDHMXURWDQXFW-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-131807
s1c2c(CCCCC2)c(c1NC(=O)CCc1c([nH]c(SC)nc1=O)C)C(=O)OC	PC-id_52638588	435.56	SAIFGKQXROOIAX-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131808
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(ccc(S(=O)(=O)NC)c1)C	PC-id_55489954	435.56	KQTNHLJEKIFFOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131809
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NCC)cc1	PC-id_25444366	435.56	HOXJVMXXWLVRPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131810
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(NS(=O)(=O)CC)ccc1	PC-id_24672181	435.56	UOBHMZWCCXFTTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131811
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1	PC-id_24643144	435.56	ZMSBEFPSIGYCMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131812
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N)cc1	PC-id_25443946	435.56	URLOKGRVBSARLK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131813
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1	PC-id_25443557	435.56	AAJRHWJEVQYVTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131814
S(=O)(=O)(N1CCOCC1)c1c(C(=O)Nc2sc3CCCCCCc3n2)cccc1	PC-id_56060689	435.56	QPKUYMSCYUVJMI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131815
S(=O)(=O)(NCC1OCCC1)c1ccc(C(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_24611820	435.56	YFOCLRNICCGJMX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131816
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3ccco3)CCn12	EMOLS-id_20541701,PC-id_45203027,MCULE-4549929579	435.562	ISDXVQLGWDXZTK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131817
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3ccoc3)CCn12	EMOLS-id_20425177,MCULE-4528142470,PC-id_45176257	435.562	TXWFMULWQGCNJA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131818
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccc(cc3)C(C)C)CCn12	MCULE-6678401089,ChEMBL-DNDi_CHEMBL46073632,PC-id_45212327,EMOLS-id_20582015	435.562	RLJNOXRDVYBBRT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131819
c1(C(C)NC(=O)c2ccoc2C)nnc2CCN(Cc3ccc(cc3)CC(C)C)CCn12	PC-id_45179186,EMOLS-id_20437791,MCULE-6499630930	435.562	IDCOPNYQLPHMHT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131820
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccco2)CC3)c1	CoCoCo_1331602,CoCoCo_1331603,ZINC22_20917515,PC-id_29218359	435.562	ISDXVQLGWDXZTK-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131821
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccco2)CC3)c1	CoCoCo_1331604,ZINC22_20917521,PC-id_29218363,CoCoCo_1331605	435.562	ISDXVQLGWDXZTK-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131822
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccoc2)CC3)c1	CoCoCo_1165891,PC-id_42167117,ZINC22_11786817,CoCoCo_1165890	435.562	TXWFMULWQGCNJA-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131823
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccoc2)CC3)c1	CoCoCo_1165893,ZINC22_11786819,PC-id_42167120,CoCoCo_1165892	435.562	TXWFMULWQGCNJA-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131824
Cc1occc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2	CoCoCo_1183475,CoCoCo_1183476,ZINC22_12196872	435.562	IDCOPNYQLPHMHT-GOSISDBHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131825
Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(CC(C)C)cc1)CC2	CoCoCo_1183478,CoCoCo_1183477,ZINC22_12196882	435.562	IDCOPNYQLPHMHT-SFHVURJKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131826
CC(C)c1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	CoCoCo_1391470,ZINC22_14994063,CoCoCo_1391471	435.562	RLJNOXRDVYBBRT-HSZRJFAPSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131827
CC(C)c1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	CoCoCo_1391473,CoCoCo_1391472,ZINC22_14994065	435.562	RLJNOXRDVYBBRT-QHCPKHFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131828
CC(C(c1nnc2n1CCN(CC2)Cc1cc(C)c(cc1C)C)NC(=O)c1cocc1)C	ChEMBL-DNDi_CHEMBL11944077	435.562	AHEBLIQWNRAHBX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-131829
COc1ccccc1C(=O)NCc1nnc2n1CCN(CC2)CC1=CC[C@@H](CC1)C(=C)C	CoCoCo_1188581,CoCoCo_1188579	435.562	BEKMOFRJZKYWPS-FQEVSTJZSA-N	00000000100011110101000000000010000000000000000000000000	31-01-131830
COc1ccccc1C(=O)NCc1nnc2n1CCN(CC2)CC1=CC[C@H](CC1)C(=C)C	EMOLS-id_25992809,CoCoCo_1188578,MCULE-5514218401,CoCoCo_1188580,PC-id_42463340	435.562	BEKMOFRJZKYWPS-HXUWFJFHSA-N	00000000100011110101000000000010000000000000000000000000	31-01-131831
O=C(C1CCC1)NCCc1nnc2n1CCN(CC2)Cc1ccc(cc1)C#CC(O)(C)C	CoCoCo_1601444,CoCoCo_1601443,ChEMBL-DNDi_CHEMBL88321444,PC-id_26351797	435.562	QACLWHAAFIEJMX-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-131832
O=C(c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)N1CCN(CC1)C1CCCCC1	CoCoCo_2544481,PC-id_20964689	435.562	JUOSPNSLGWMGJW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-131833
O=C(N1CCC(N2CCCCC2)CC1)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_50798076	435.562	XIUAMQMRVOZHIU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-131834
O=C(NCc1n2CCN(CC3=CCC(CC3)C(=C)C)CCc2nn1)c1c(OC)cccc1	PC-id_74805678	435.562	BEKMOFRJZKYWPS-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-131835
O=C(NCCc1n2CCCCCc2nn1)C1N(C2C(C1)CCCC2)C(=O)c1ccccc1	PC-id_56438883	435.562	CUPOYJDTNUCCHG-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-131836
O=C1N(CCCCN2CCN(CC2)c2ncccn2)CCS(=O)(=O)c2c1ccs2	SCHEMBL9039091,PC-id_19881143	435.563	FHHKTMRHFKNSJN-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-131837
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)cc(n1)N)C(=O)OCC	PC-id_24138571	435.563	LZXBLSCMDHEDDG-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131838
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1nc(N)cc(n1)N)C)C(=O)OCC	PC-id_23998271	435.563	STRYNTINGMBTRQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131839
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1)CC)C(=O)N)C(=O)OCC	PC-id_20173602	435.563	DLMIAWGJVDZOIM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131840
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1C(=O)N)CC)C(=O)OCC	PC-id_20173769	435.563	IYKRLQLXKLSQJD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131841
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)cc(n1)N)C(=O)OC	PC-id_23917529	435.563	CBZVEHCMOBRTJI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131842
s1c2CCCCCCc2nc1NC(=O)c1c(NS(=O)(=O)C)ccc(NC(=O)C)c1	PC-id_56579153	436.548	LGWATCMIBUFCQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132240
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1nc(N)cc(n1)N)C)C(=O)OC	PC-id_23998274	435.563	SKTIIEUKRKQAGN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-131843
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1)CC)C(=O)N)C(=O)OC	PC-id_20173598	435.563	TZRZJJNJQLISTB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131844
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1)C)C(=O)N)C(=O)OCC	PC-id_20173525	435.563	FGDPYOZCXWJAFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131845
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(nn(c1)C)C(=O)N)C(=O)OCC	PC-id_20173684	435.563	MFCWNBRTQXTMIO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131846
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1C(=O)N)CC)C(=O)OC	PC-id_20173762	435.563	AILSENAXEGOQRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131847
O=C(CSc1nnc2n1CCCCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1	MCULE-9642494473,ZINC22_12981939,EMOLS-id_16678404,CoCoCo_3081546,PC-id_25646558	435.564	PIHKSMMSQHDZSK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131848
CCNC(=NCc1coc(n1)c1ccc(cc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111591287	435.565	HPGPPEXXYFBVLB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-131849
O=NC/C(=N/N(C1=CCn2c(C(=C1)NC/C(=C(/C=C)C)/C(=CC)/C)nc(c2C)C)C=N)/C	PC-id_143295105	435.565	BKNZXCSBYYZFNK-NKZCQEIHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-131850
CCOC(=O)c1ccc(c(c1)F)Cc1c(C)n(c2=CC=CCC=c12)CC1CCCCCC1	PC-id_144879910	435.573	HJEDEWNEAOFAFR-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-131851
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(F)cc1)C(=O)OCC	PC-id_41271684	435.575	IHRAQGILSQHXPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131852
CCCCCC/C/1=C/c2csc(n2)[C@@H](C)[C@H](O)C[C@H](/C=C/C=CC[C@@H](OC1=O)O)O	PC-id_102585132	435.577	PZXLXYVLXUMJLU-RAPSMYMBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-131853
CC(COc1ncnc(c1)N1CCC(CC1)/C=C/C(=O)c1cc2c(s1)CC=CC=C2)C	PC-id_144328557	435.582	YGGLARWZAYGAQO-CMDGGOBGSA-N	00000000100010100111100000000010000000000000000000000000	31-01-131854
Nc1ccc(cc1)C(=O)N1C/C=CC=C/C(c2c(CCC1)cc(s2)C(=O)NC1CC1)C	PC-id_144119749	435.582	BLPFBQBVLJPFRC-ZUMAWFIWSA-N	00100000100000110110000000000010000000000000000000000000	31-01-131855
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)c1ccccc1)C#N	PC-id_41686978	435.582	WXYPAVNDMUHCMP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-131856
s1c2c(CCCCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)c1ccc(cc1)C)C#N	PC-id_55864018	435.582	WRYMWMZFRXBAFL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-131857
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)Cc1c2c([nH]c1)cccc2	PC-id_52657349	435.582	QAIBCFZTDMKZIT-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-131858
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)OC(C)C)CCn12	PC-id_45223226,MCULE-3750828556,ChEMBL-DNDi_CHEMBL58304528,EMOLS-id_20628097	435.583	WQKYULYYJVIJMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131859
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(c(C)c3C)OC)CCn12	EMOLS-id_20646245,MCULE-7324343969,ChEMBL-DNDi_CHEMBL63692533,PC-id_45167082	435.583	YEILMPNXRJICJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131860
CC(C)Oc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	CoCoCo_1460344,ZINC22_14968731,CoCoCo_1460343,PC-id_26327229	435.583	WQKYULYYJVIJMX-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131861
CC(C)Oc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	PC-id_26327226,CoCoCo_1460345,ZINC22_14968727,CoCoCo_1460346	435.583	WQKYULYYJVIJMX-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131862
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n12CCN(CCc1nnc2CNC(=O)c1ccccc1)C(=O)C=Cc1cccc(Cl)c1	MCULE-2727898329,PC-id_74781298	435.906	UNKXAKCUZJXONT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131941
N#Cc1ccc(cc1N(C(=O)Cn1nc2n(c1=O)CCCCC2)Cc1ccccc1)Cl	PC-id_86905962	435.906	ZRPWVOKNKICZFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131942
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3c(cccc3F)Cl)CCn12	EMOLS-id_20470755,MCULE-8714350005,PC-id_45186825	435.923	RNMSZEHWYSKMAR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131943
C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2	CoCoCo_1229520,CoCoCo_1229521,ZINC22_20450400	435.923	RNMSZEHWYSKMAR-CQSZACIVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131944
C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2	ZINC22_20450402,CoCoCo_1229522,CoCoCo_1229523	435.923	RNMSZEHWYSKMAR-AWEZNQCLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-131945
Clc1c(C(N2CCCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)c(F)ccc1	PC-id_55658898	435.923	BJKVERNWANUMET-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-131946
C1CCCCCc2c(CCCC1)c(c(s2)NC(=O)c1n[nH]c(c1Cl)[N+](=O)[O-])C#N	PC-id_135598375	435.928	QTYOCMLEDXPFCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-131947
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)c(F)ccc1	PC-id_3648377	435.939	NUFNZNDIQZXTDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131948
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)c(F)ccc1	PC-id_5214711	435.939	LBEURLJOKQGPRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131949
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)c(F)ccc1	PC-id_5885176	435.939	NUFNZNDIQZXTDV-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131950
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)c(F)ccc1	PC-id_6303716	435.939	LBEURLJOKQGPRH-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131951
Clc1c(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c(F)ccc1	PC-id_4429903	435.939	ZHBAYQJVCWEYKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131952
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c(F)ccc1	PC-id_6108267	435.939	ZHBAYQJVCWEYKR-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131953
C1CCc2c([nH]nc2C(=Cc2cc(ccc2)Cl)C1)C(=O)NC(CCO)c1ccccc1	PC-id_91015636	435.946	GSCNDSXQMYAENL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131954
C1CCC(=Cc2cc(ccc2)Cl)c2n[nH]c(c2CC1)C(=O)NC(CO)c1ccccc1	PC-id_90804448	435.946	YZUQGHPDIASMKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131956
Clc1cc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@H](CCO)c2ccccc2)ccc1	PC-id_25070200,SCHEMBL14089791	435.946	GSCNDSXQMYAENL-JIKIWWBOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131957
Clc1cc(/C=C/2CCCCCc3c2n[nH]c3C(=O)N[C@@H](c2ccccc2)CO)ccc1	SCHEMBL13011106,PC-id_24966847	435.946	YZUQGHPDIASMKF-PGPKDTDWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131958
Clc1cc(/C=C/2CCCCCc3c2n[nH]c3C(=O)N[C@H](c2ccccc2)CO)ccc1	SCHEMBL13011108,PC-id_24966848	435.946	YZUQGHPDIASMKF-SLTDHEAWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131959
Clc1cc(/C=C(O)/[C@H](NC(=O)c2n[nH]c3CCCCCCc23)c2ccccc2)ccc1	PC-id_25070205	435.946	AVAFMMYYALJYLY-YTMAHBJJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131960
Clc1cc(/C=C(O)/[C@@H](NC(=O)c2n[nH]c3CCCCCCc23)c2ccccc2)ccc1	PC-id_25070522	435.946	AVAFMMYYALJYLY-AEUZFIIDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131961
OC[C@H](c1ccccc1)NC(=O)c1n[nH]c2c1C(=Cc1cccc(c1)Cl)CCCCC2	PC-id_142701353	435.946	HSNJEKHHTPZVPI-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131962
OC[C@@H](c1ccccc1)NC(=O)c1n[nH]c2c1C(=Cc1cccc(c1)Cl)CCCCC2	PC-id_142701355	435.946	HSNJEKHHTPZVPI-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131963
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(c(OC)c3Cl)OC)CCn12	PC-id_45208899,EMOLS-id_20567369,MCULE-6308830112	435.948	KFUYKECETQSVBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131964
CCC(C)C(=O)NCc1nnc2CCN(Cc3ccc(OC)c(OC)c3Cl)CCn12	MCULE-9279091866,PC-id_45177037,EMOLS-id_20428505	435.948	CORMJSQUVSFMBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131965
CCC(C)C(=O)NCc1nnc2CCN(Cc3cc(OC)c(OC)cc3Cl)CCn12	ChEMBL-DNDi_CHEMBL28632230,EMOLS-id_20503955,PC-id_45194446,MCULE-7545990061	435.948	PEDQRNGPPQAVHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131966
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(OC)c(OC)c1Cl)CC2	CoCoCo_1170556,ZINC22_19835863,CoCoCo_1170558	435.948	CORMJSQUVSFMBP-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131967
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(OC)c(OC)c1Cl)CC2	ZINC22_19835861,CoCoCo_1170559,CoCoCo_1170557	435.948	CORMJSQUVSFMBP-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131968
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)c(OC)cc1Cl)CC2	CoCoCo_1277047,PC-id_29088785,CoCoCo_1277049,ZINC22_20601452	435.948	PEDQRNGPPQAVHX-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131969
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)c(OC)cc1Cl)CC2	PC-id_29088784,CoCoCo_1277048,ZINC22_20601451,CoCoCo_1277050	435.948	PEDQRNGPPQAVHX-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131970
COc1ccc(CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)c(Cl)c1OC	CoCoCo_1602892,MCULE-6228330690,ChEMBL-DNDi_CHEMBL88668360,CoCoCo_1602891,ZINC22_14996662,EMOLS-id_20721119,PC-id_26352379	435.948	KUYMMHVNRHDHBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131971
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(Cl)c1OC	CoCoCo_1369146,ZINC22_14987735,CoCoCo_1369145	435.948	KFUYKECETQSVBD-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131972
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c(Cl)c1OC	CoCoCo_1369147,CoCoCo_1369148,ZINC22_14987738	435.948	KFUYKECETQSVBD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131973
C1CC1CN1CCNc2c(C1=O)n(c(n2)CNc1ccccc1Cl)Cc1ccccc1	PC-id_134808697	435.949	DWEOVOWJJVWZNF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-131974
ClC(=Cc1ccccc1)CN1CCn2c(nnc2CNC(=O)Cc2ccccc2)CC1	MCULE-4533470799,PC-id_29253275	435.949	GDIATVBUWAGYAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131975
O=C(Cc1ccccc1)NCc1nnc2n1CCN(CC2)C/C(=Cc1ccccc1)/Cl	CoCoCo_1335879,CoCoCo_1335881	435.949	GDIATVBUWAGYAO-RCCKNPSSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131976
O=C(Cc1ccccc1)NCc1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2	EMOLS-id_26003559,ZINC22_20992067,CoCoCo_1335882,CoCoCo_1335880	435.949	GDIATVBUWAGYAO-QNGOZBTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131977
c1(NC(=O)C(C)Oc2ccc(cc2C)Cl)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC405218,MCULE-4603086444,PC-id_3419470,EMOLS-id_4121842,SPECS-id_AK-968/11841778	435.964	QLSCTBCNQOKBAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131978
c1(NC(=O)C(C)Oc2ccc(cc2C)Cl)sc2c(CCCCCC2)c1C(=O)OC	SPECS-id_AK-968/12162118,TIMTEC99554,MCULE-3905282103,EMOLS-id_4121846,PC-id_4099819	435.964	CIQYWLBKGQGPOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131979
c1(NC(=O)C(C)Oc2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_4350980,MCULE-2917848578,EMOLS-id_4121838,TIMTEC430348,SPECS-id_AK-968/12265145	435.964	RNZIIOKVDBVOTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131980
c1(NC(=O)COc2ccc(cc2C)Cl)sc2c(CCCCCC2)c1C(=O)OCC	ZINC22_2086359,PC-id_1744698,TIMTEC349472,SPECS-id_AK-968/13030097,EMOLS-id_4121844,MCULE-5275357324,CoCoCo_5822308	435.964	OBNTUATZWGVOFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131981
CCCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2	PC-id_1743194,CoCoCo_5818194,ZINC22_2084439	435.964	RNZIIOKVDBVOTH-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131982
CCCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2	ZINC22_2084440,CoCoCo_5818195,PC-id_1743193	435.964	RNZIIOKVDBVOTH-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131983
CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCCC2	CoCoCo_5815276,PC-id_1740639,ZINC22_2081290	435.964	QLSCTBCNQOKBAR-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131984
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCCC2	PC-id_1740638,ZINC22_2081291,CoCoCo_5815275	435.964	QLSCTBCNQOKBAR-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131985
Clc1cc(c(OCCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1)C	PC-id_3500817	435.964	MJJPNYYDQDDJRM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131986
Clc1cc(c(OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cc1)C	PC-id_4195000	435.964	GMDFQGLXWLYUFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131987
Clc1cc(c(OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cc1)C	PC-id_4351052	435.964	ZDIATFOXTLIUEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131988
Clc1cc(OC(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)C)ccc1	PC-id_3667433	435.964	CYODYTMRWXFWBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131989
Clc1cc(OC(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)C)ccc1	PC-id_4358096	435.964	WGTRWFOTQJPOBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131990
COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCCCC2	CoCoCo_6815245,ZINC22_2083733,PC-id_1742615	435.964	CIQYWLBKGQGPOJ-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131991
COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCCCC2	ZINC22_2083734,PC-id_1742616,CoCoCo_6815244	435.964	CIQYWLBKGQGPOJ-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131992
Clc1c(scc1)C(=O)N1CCn2c(nnc2CCNC(=O)C2CCCCC2)CC1	PC-id_42422542,CoCoCo_1623508,ChEMBL-DNDi_CHEMBL93565741	435.971	CDWQFSOYDFZVEE-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-131993
COCC(c1ccccc1)NC(=C)c1n[nH]c2c1CCCCC2Cc1cc(ccc1)Cl	PC-id_89244711	435.989	CRVIZNVDQRZIOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131994
COC[C@H](c1ccccc1)NC(=C)c1n[nH]c2c1CCCC[C@H]2Cc1cccc(c1)Cl	SCHEMBL14089788	435.989	CRVIZNVDQRZIOS-XUZZJYLKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-131995
c1(NC(=S)NC(=O)Cc2ccc(cc2)Cl)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_2218798,MCULE-1515666330,ZINC22_4177314,PC-id_2942235,CoCoCo_942236	435.991	PQDBAQSSQSTMSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131996
O=C(Nc1ccccc1Cl)C[NH+]1CCN(CC1)Cn1nc2n(c1=S)CCCCC2	GD-id_ZINC20637018	435.994	HUMWMRUTOFOUNE-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-131997
c1(NC(=S)NC(=O)c2cc(ccc2Cl)SC)sc2c(CCCCC2)c1C#N	TIMTEC80981,CoCoCo_5837713,ZINC22_2108643,PC-id_1763812,SPECS-id_AK-968/41024607,MCULE-8259910113,EMOLS-id_5130165	436.014	BNXWLICBLHZQHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-131998
Ic1c2-c(ccc(C(C)(C)C)cc2)c(I)c1	PC-id_85773800	436.07	SDZGHOMPLFBKNU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-131999
CC(C)C([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_165164757	436.122	CLWUYKLRAZHEOU-MBIQTGHCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132000
CC(C)[C@@H]1[C@H](NS(=O)(=O)C2=CN(C(=C2O1)C(=O)NC3=CC(=C(C=C3)F)[N+]#[C-])C)CO	PC-id_165164745	436.122	CTUUEZXSSOTLHX-RHSMWYFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132001
CC[C@@H]([C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C)O	PC-id_155258010	436.122	BNZJLXXBGNCOOF-HNAYVOBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132002
BrC(c1sc2c(CCCCC2)c1)c1c(F)cc(Br)c(F)c1	PC-id_64211227	436.152	USSWSTZDJSRAIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132003
CC(C)OC(=O)C1=CCCC(C2=C(N(N=C12)CC3=CC=C(C=C3)OC)C(F)(F)F)(C)C	PC-id_160242201	436.197	PLTSXKMBYHJWEK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-132004
CC1=NN2CCCN(C(=O)C2=C1)CC3=C(C=C(C=C3)OC(CCNC)C4=CC=CC=C4)F	PC-id_155072058	436.227	TWOXHEPRFOVUEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132005
CCC(CC)N1C2=C(C/C=CC=C/C(=C)N(CC/C=CC=C/C2)C(=O)CCC(=O)C)N=N1	PC-id_164901961	436.284	OQHUTABWEGEXTD-JYZMTPJZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-132006
Brc1c2sc(CCCCCCCCCCCCCC2)c1Br	PC-id_10812807	436.288	VWTKCLVBWGJSMN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-132007
BrC1CC(OC(=O)N(C)C)Cc2nn(cc2C1=O)Cc1ccc(OC)cc1	SCHEMBL365671,PC-id_66667272	436.3	XTSFREUOPWNZOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132008
Brc1ccc(NC(=O)CCNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55952098	436.303	KJWVGUUHUJIGGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132009
Brc1c(cc(NC(=O)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C	PC-id_56260289	436.303	PVHGOZDEDGTWLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132010
Brc1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc(F)c1	PC-id_46534032	436.321	GOABBVFBKKOXCM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132011
C(CCCCCCCCCc1c2-c(cc1)ccc(cc2)C)CCCCCCCCCCC	PC-id_19996708	436.755	LZMJADWCUVIXIH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132339
O=C(c1cc(Br)ccc1F)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_30377881,MCULE-7371400899,EMOLS-id_31364349,ZINC22_22508973	436.321	MBNZGTXCHQFAAQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132013
Brc1cc([nH]c1)C(=O)OC(C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_55426288	436.323	PCPKJLHNKWHUHG-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-132014
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)cc2B)CC	SCHEMBL13480145	436.33	OVMOWOXPJYXDOF-LGMDPLHJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-132015
O=C(NC1N=C(c2c(N(C1=O)C)cco2)C(C)(C)C)CCc1ccc(cc1Cl)Cl	PC-id_141827823	436.332	KRGMFIYLMPPDRL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-132016
Clc1ccc(c(c1)C(=O)N1CCCC1C(=O)NCc1nnc2n1CCCCC2)Cl	MCULE-6513324431,PC-id_60437084,EMOLS-id_320309748	436.335	PZSSFRFTHJJUKK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132017
Clc1c(N2CCC(C2=O)C(=O)NCCc2n3CCCCCc3nn2)cc(Cl)cc1	PC-id_60569103	436.335	OVQCDMBYGCCZLE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-132018
O=C(NCc1nnc2n1CCCCC2)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl	ZINC22_71880158	436.335	PZSSFRFTHJJUKK-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132019
O=C(NCc1nnc2n1CCCCC2)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl	ZINC22_71880161	436.335	PZSSFRFTHJJUKK-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132020
O=C1CCC(=O)Oc2c(O1)c(Cn1ncc(c1)c1cccc(c1)OC(F)(F)F)nn2C	PC-id_140810686	436.341	RTKURFCLZCPFHG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132021
Brc1ccc(n2c(c(C=C(c3n4CCCCCc4nn3)C#N)cc2C)C)cc1	PC-id_4287402,MCULE-6801884800,EMOLS-id_26092971	436.348	VLUOZYJJTHVVTI-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-132022
Brc1ccc(n2c(c(/C=C(/c3n4CCCCCc4nn3)C#N)cc2C)C)cc1	PC-id_6058879,CoCoCo_3456456	436.348	VLUOZYJJTHVVTI-QGOAFFKASA-N	00000000110000110101100000000010000000000000000000000000	31-01-132023
Brc1ccc(n2c(c(/C=C(c3n4CCCCCc4nn3)/C#N)cc2C)C)cc1	PC-id_75460362,CoCoCo_3456457	436.348	VLUOZYJJTHVVTI-AQTBWJFISA-N	00000000110000110101100000000010000000000000000000000000	31-01-132024
C1CN(Cc2cc(nn2C1)CN)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16100566,PC-id_90461173	436.352	YGLLTIQFOJKEPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132025
Brc1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cc1	PC-id_4139941	436.363	CLCACGDRGMNXAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132026
Brc1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cc1	PC-id_4524455	436.363	JUNHCIDRVULXOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132027
Brc1ccc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_5099856	436.363	ALRQRSQQQBLDFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132028
Brc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc1	PC-id_4064132	436.363	IJUGGHNANOWGTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132029
Brc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)ccc1	PC-id_4449658	436.363	QXYZAERCDTXSLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132030
Brc1cc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1	PC-id_5233823	436.363	ROXKVZAKZGIBBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132031
Brc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cccc1	PC-id_4104630	436.363	WPWDWXGJGSLGMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132032
c1(NC(=O)c2ccccc2Br)sc2c(CCCCC2)c1C(=O)OCCC	CoCoCo_684219,MCULE-3968780078,ZINC22_2081505,SPECS-id_AK-968/11844611,PC-id_1740826,EMOLS-id_2096167,TIMTEC494817	436.363	VBRFDFJCZATCNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132034
Brc1ccc(cc1)C(=O)c1c2-c(c(c1C)Cc1scc(n1)C)ccccc2	PC-id_139814847	436.364	IURSQXKBFIUYRM-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-132035
Brc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)NN(C)C)CCCCC2	GD-id_ZINC44452761	436.366	UOXBEUJEHDYCDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132036
c1(NC(=O)CCC(=O)Nc2ccc(c(Br)c2)C)sc2c(CCCCC2)n1	EMOLS-id_335044607,MCULE-5306405186	436.366	KEWRYEQDRBKLQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132037
c1(NC(=O)CCC(=O)Nc2ccc(cc2Br)C)sc2c(CCCCC2)n1	EMOLS-id_335058417,MCULE-1574868690	436.366	MJXOLGJNZYHNID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132038
c1(NC(=O)CCC(=O)Nc2ccc(cc2C)Br)sc2c(CCCCC2)n1	MCULE-7330748145,EMOLS-id_335033841	436.366	MJZSSPWBQIOUBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132039
CCCCn1c(Nc2ccc(cc2Cl)OC)nc2=C(Cl)C=CCC(=c12)C(CC)O	PC-id_143837403	436.375	WDJGCOKSEYPWLC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-132040
CN=C(N(Cc1cc(cn1C)Br)C)NCCCc1nnc2n1CCCCC2	PC-id_109749501	436.392	QBGSYMPENNXRLW-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-132041
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1nn(Cc2ccc(F)cc2)cn1	PC-id_19523763	436.406	KOSOYQVIUTVWIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132042
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1nn(Cc2cc(F)ccc2)cn1	PC-id_19523783	436.406	LZHKACDCLYKCJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132043
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1nn(Cc2c(F)cccc2)cn1	PC-id_19523780	436.406	ANPREHYBIXACHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132044
O=C(c1cnn(c1C(F)(F)F)c1ccccc1F)NCCc1nnc2n1CCCCC2	PC-id_112813945	436.406	OSDZPYOUYUQUAE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132045
o1c(=O)c(C(c2c3-c(oc2=O)ccccc3)c2cc(cc(c2)C=O)C=O)c2-c1ccccc2	PC-id_10863033	436.412	ZXOXLAMNFIZKJT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-132046
CCOC(=O)Oc1c2-c(ccc(cc2)CC(=O)NOCCO)c(c1N)OC(=O)OCC	SCHEMBL7305472,PC-id_88125556	436.413	FCXBNMKESRFYTI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132047
FC(F)(F)c1ccccc1CN1CCc2nnc(CNC(=O)C3CCC(=O)N3)n2CC1	PC-id_45219842,MCULE-5639153575,EMOLS-id_20613831	436.431	AZWMILVTKQCTMG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132048
FC(F)(F)c1cccc(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)c1	MCULE-3160653550,EMOLS-id_20724053,PC-id_45246468	436.431	UWAQQDMCLMXMNY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132049
O=C1CC[C@@H](C(=O)NCc2nnc3n2CCN(Cc2ccccc2C(F)(F)F)CC3)N1	ZINC22_19635371,CoCoCo_1438851,CoCoCo_1438852	436.431	AZWMILVTKQCTMG-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132050
O=C1CC[C@H](C(=O)NCc2nnc3n2CCN(Cc2ccccc2C(F)(F)F)CC3)N1	ZINC22_19635375,CoCoCo_1438854,CoCoCo_1438853	436.431	AZWMILVTKQCTMG-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132051
O=C1CC[C@@H](C(=O)NCc2nnc3n2CCN(Cc2cccc(C(F)(F)F)c2)CC3)N1	CoCoCo_1607441,ZINC22_20637639,CoCoCo_1607440	436.431	UWAQQDMCLMXMNY-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132052
O=C1CC[C@H](C(=O)NCc2nnc3n2CCN(Cc2cccc(C(F)(F)F)c2)CC3)N1	CoCoCo_1607442,ZINC22_20637643,CoCoCo_1607443	436.431	UWAQQDMCLMXMNY-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132053
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCc2cc3OCOc3cc2)cc1	PC-id_50797847	436.436	XISIAMQYXWXTKJ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-132054
Fc1cc(CN2CCCn3nc(cc3C2=O)C(=O)NCc2cc3OCOc3cc2)ccc1	PC-id_53007958	436.436	BIEPZQNLNZLLGB-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-132055
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(c(F)cc1)C(F)(F)F	PC-id_60585507	436.444	PVCSWDNKPIMZGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132056
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1cc(ccc1)C(F)(F)F)C#N	PC-id_45689040	436.447	QNMZYGBZDNEADR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132057
s1c2CCCCCc2c(c1NC(=O)Cn1nc(C2CC2)cc(c1=O)C(F)(F)F)C#N	PC-id_55875178	436.451	OWHUNJDQRKQBGF-UHFFFAOYSA-N	00100000100000100101100000000010000000000000000000000000	31-01-132058
CCNC(=NCc1cc2OCOc2cc1OC(F)F)NCc1nnc2n1CCCCC2	PC-id_109669413	436.456	CSXUXUACALGJSM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-132059
CN=C(NCc1cc2OCOc2cc1OC(F)F)NCCc1nnc2n1CCCCC2	PC-id_109669429	436.456	SXYOSTNUXVSPDO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-132060
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OCC(NS2(=O)=O)C(C(C)C)O	SCHEMBL18353532	436.457	CLWUYKLRAZHEOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132061
OC[C@H]1NS(=O)(=O)c2c(O[C@@H]1C(C)C)c(n(c2)C)C(=O)Nc1ccc(c(c1)C#N)F	SCHEMBL18353501	436.457	NECTVANMGNNTFT-RHSMWYFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132062
CCOC(=O)c1ccc(cc1)c1ccccc1CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580189,SCHEMBL14965809	436.46	FZHVGJRNIYAHLQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132063
CCOC(=O)c1cccc(c1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89584389,SCHEMBL14971109	436.46	BIEDGJCRLIFKSW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132064
CCOC(=O)c1ccc(cc1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965922,PC-id_89580272	436.46	FKTJRNULGYMUBM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132065
CCOC(=O)c1ccc(cc1)c1cccc(c1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_71569320,SCHEMBL14965569	436.46	KQQPGJYODIBWEN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132066
COc1cc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc2c1OCO2	PC-id_28957445,ZINC22_20454992,EMOLS-id_20483493,MCULE-4431102509,CoCoCo_1247714,CoCoCo_1247715	436.464	RQJASVFSQADWPC-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-132067
O1CCN(CCn2c1nc([N+](=O)[O-])c2)Cc1ccc(cc1)C(=O)NCCc1ncccc1	PC-id_71570740,SCHEMBL14965799	436.464	PZLVRBXVXHDDEM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132068
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(OC)c(NC(=O)c2cccnc2)cc1	PC-id_55653478	436.464	WLZFNJLTRFTBNX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132069
COCN1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20696006,PC-id_86268956	436.471	YPIQLEKPMKXOPP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132070
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cc(CN2CCOCC2)ccc1	PC-id_19523696	436.471	OKRMJFNWYFBCJT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132071
OCCN1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_140701322	436.471	VWALQYXJNBCKBW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132072
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1OCC)c2)Cc1ccc(cc1)F	EMOLS-id_32846242,PC-id_50797891,MCULE-4552417918	436.479	AVPDNPMOBHTTCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132073
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OCC)c2)Cc1ccc(cc1)F	PC-id_50797925,MCULE-9785695075,EMOLS-id_32846248	436.479	DXWRFIQRRJNFEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132074
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OCC)c2)Cc1cccc(F)c1	MCULE-5452930116,EMOLS-id_32633048,PC-id_53034546	436.479	UPHCZENGDAVDDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132075
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1OCC)c2)Cc1cccc(F)c1	PC-id_53034545,MCULE-9133055454,EMOLS-id_32633028	436.479	KUOMOVOAIJMNGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132076
CC(C)Oc1cccc(c1)C(=O)N1CCCn2ncc(C(=O)Nc3cccc(F)c3)c2C1	EMOLS-id_313765321,ZINC22_1565555513	436.479	CBBJPGDJUBJBNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132077
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)CCc2ccccc2F)CCC3)cc1	EMOLS-id_313781919,ZINC22_1565555786	436.479	HQGAQABTLNSRMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132078
c1(C(=O)NCCc2nc(C)ncc2C(=O)Nc2ccccc2F)c2CCCCCc2n[nH]1	EMOLS-id_156987,MCULE-5678565615,ZINC22_19697258,PC-id_92619135,BDD-23748788	436.482	WOARVBYHRZQQMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132079
CCc1c2-c(ccc(cc2)CC(=O)N(C)OC(OCC)(OCC)P=O)c(c1N)CC	PC-id_88265239	436.482	WOBWKMWHXIVUMH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132080
CCOC(ON(C(=O)Cc1ccc2-c(cc1)c(c(c2CC)N)CC)C)(OCC)[PH2]=O	SCHEMBL8212947	436.482	CDOCTYCHPAWJRV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132081
CCOP(=O)(CON(C(=O)Cc1ccc2-c(cc1)c(c(c2CC)N)CC)C)OCC	PC-id_54254285,SCHEMBL8212951	436.482	QYXQOSLTZFUQLC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132082
Fc1cc(NC(=O)c2cc(NC(=O)NCCc3n4CCCCCc4nn3)ccc2)ccc1	PC-id_60488549	436.482	LDDOVYDPVHUPIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132083
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)C(=O)Cc1cccc(F)c1	ZINC22_12099759,EMOLS-id_20413596,MCULE-3316520445,CoCoCo_1149915,PC-id_42407351	436.482	MSPRHQHECUCWCE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132084
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(cc1)c1onc(n1)C)C#N	PC-id_30656745	436.484	IBVCFFWFAQQZOV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132085
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1)C#N	PC-id_42964905	436.484	LBTNSFZEUKHFLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132086
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)Nc2sc3c(CCC(C)C3)c2C#N)n1	TIMTEC247863,MCULE-5463964095,ChEMBL-DNDi_CHEMBL1577674,ChEMBL-DNDi_CHEMBL7980472,EMOLS-id_2011378,PC-id_2981148,CHEMBL1577674	436.494	JSHUSAUTBUYTBE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-132087
C[C@@H]1CCc2c(sc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCCC4)c2C#N)C1	PC-id_2237326,CoCoCo_570458,ZINC22_2884936	436.494	JSHUSAUTBUYTBE-GFCCVEGCSA-N	00000000100010000101000000010010000000000000000000000000	31-01-132088
C[C@H]1CCc2c(sc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCCC4)c2C#N)C1	ZINC22_2884935,CoCoCo_570457,PC-id_2237325	436.494	JSHUSAUTBUYTBE-LBPRGKRZSA-N	00000000100010000101000000010010000000000000000000000000	31-01-132089
C(CCCCCCCCCCCC)CCCCCCCCCc1c2-c(cc1)ccccc2	PC-id_19815725	436.755	OJHMUBHUKLWMLJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132340
CCCOc1ccc(c(c1)OC(F)F)CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_109793134	436.499	ZJPGRDIDWNGRNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132090
CCNC(=NCc1cccc(c1OC(F)F)OCC)NCc1nnc2n1CCCCC2	PC-id_109661927	436.499	KPQVADIRZJREIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132091
CCNC(=NCc1cc(OC)ccc1OC(F)F)NCCc1nnc2n1CCCCC2	PC-id_109672537	436.499	ACVWPGKOWPBUMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132092
CCNC(=NCC(c1ccc(cc1)OC(F)F)O)NCCc1nnc2n1CCCCC2	PC-id_109495433	436.499	OBBXDDWPIYGHMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132093
CCOc1cccc(c1OC(F)F)CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_109661941	436.499	SOEUEVUWYXQFGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132094
COc1ccc(c(c1)CNC(=NC)NCCCc1nnc2n1CCCCC2)OC(F)F	PC-id_109671527	436.499	OSFBYFUYRUANFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132095
COc1ccc(cc1)/C=C/C[N@H+]1CCc2n(CC1)c(nn2)CNC(=O)c1cccc(c1)F	GD-id_ZINC14883802,PC-id_26279489	436.502	LVVGLZSXCMBCMT-ONEGZZNKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132096
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)CC=Cc2ccc(OC)cc2)ccc1	PC-id_74494234	436.502	LVVGLZSXCMBCMT-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132097
O=C(Cc1cccc(c1)F)NCc1nnc2n1CC[N@H+](CC2)Cc1ccc2c(c1)CCO2	GD-id_ZINC12054876	436.502	CQPQNNPULLGRFX-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-132098
O=C(Nc1ccc(C(=O)N2CCCCc3occc23)cc1)c1ccccc1c1ccccc1	CHEMBL175411,PC-id_11476070,BindingDB_PC-id_11476070	436.502	DZGOBTYEFOVIMZ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-132099
O=C(NC(C(=O)NC1Cc2ncc(o2)CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138730471,SCHEMBL21109626	436.502	APCYVVCXWPUCHA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132100
O=C(NC(C(=O)NC1CCc2coc(n2)CCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21110292,PC-id_138731132	436.502	ZWYRPRKOEJPKTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132101
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(COCCOc2ccccc2)ccc1	PC-id_78892046	436.504	XIPKWVNQVWJKNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132102
C1Cc2c(C(=O)NC1)sc(n2)NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1	PC-id_90625408	436.505	WHMWAPILBMOIPZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132103
O=C1CN(Cc2ccccc2)C(=O)c2c(N1Cc1ccccc1)n(cn2)Cc1ccccc1	PC-id_460608,SCHEMBL5988838	436.505	SMZMBVRLDSUWCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132104
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3cccc(OC)c3OC)CCn12	PC-id_45182720,EMOLS-id_20453215,MCULE-8733973392	436.507	GMPAOGHCQJWVEQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132105
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc(c(OCC)c3)O)CCn12	EMOLS-id_20548767,PC-id_45204630,ChEMBL-DNDi_CHEMBL38126716,MCULE-9249824314	436.507	VOGWMYRIUVWACZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132106
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3cc(OC)ccc3OC)CCn12	PC-id_45171538,EMOLS-id_20404900,MCULE-2974214986	436.507	OQXVMYOLRZOZFY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132107
Cc1cc(c(o1)C)C(=O)N1CCn2c(CC1)nnc2[C@@H](C(C)C)NC(=O)c1ccccn1	PC-id_26346444,CoCoCo_1586989	436.507	NOGFPMRFDHCPMB-HXUWFJFHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-132108
Cc1cc(c(o1)C)C(=O)N1CCn2c(CC1)nnc2[C@H](C(C)C)NC(=O)c1ccccn1	PC-id_26346446,CoCoCo_1586988	436.507	NOGFPMRFDHCPMB-FQEVSTJZSA-N	00000000101000101101000000000010000000000000000000000000	31-01-132109
CCCc1onc(c1)C(=O)N1CCc2n(CC1)c(nn2)CCNC(=O)c1ccc(cc1)C	MCULE-4712398722,CoCoCo_1480431,EMOLS-id_20641205,PC-id_26335667,ChEMBL-DNDi_CHEMBL62217677	436.507	GCMJWBQBQQKLKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132110
CCOc1cccc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)c1O	CoCoCo_1123816,ZINC22_23128911,MCULE-2712449205,ChEMBL-DNDi_CHEMBL10833623,PC-id_30852338,CoCoCo_1123815,EMOLS-id_20394004	436.507	SWCDOHMSZMPGSO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132111
CCOc1cc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)ccc1O	CoCoCo_1292284,ZINC22_20779628,EMOLS-id_20514497,CoCoCo_1292285,MCULE-1497328734,PC-id_29151531	436.507	ZGNXUVMOUGLRFD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132112
CCOc1cc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)ccc1O	PC-id_29255379,CoCoCo_1341797,ZINC22_20994831,CoCoCo_1341796	436.507	VOGWMYRIUVWACZ-MRXNPFEDSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132113
CCOc1cc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)ccc1O	PC-id_29255380,CoCoCo_1341798,ZINC22_20994833,CoCoCo_1341799	436.507	VOGWMYRIUVWACZ-INIZCTEOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132114
CCOc1cc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)ccc1OC	CoCoCo_1442050,MCULE-6855590332,EMOLS-id_20616001,ChEMBL-DNDi_CHEMBL54960834,ZINC22_14959404,CoCoCo_1442049,PC-id_26321385	436.507	HAAMMFKGEBUBJU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132115
CCOc1cc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)ccc1OC	ChEMBL-DNDi_CHEMBL18728421,MCULE-2621811088,CoCoCo_1198037,EMOLS-id_20448387,CoCoCo_1198036,ZINC22_14880862,PC-id_26276592	436.507	GINZSJJBBCAHSM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132116
COc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c1OC	PC-id_26278588,CoCoCo_1204728,ZINC22_14882707,CoCoCo_1204729	436.507	GMPAOGHCQJWVEQ-MRXNPFEDSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132117
COc1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c1OC	ZINC22_14882708,CoCoCo_1204730,CoCoCo_1204731,PC-id_26278590	436.507	GMPAOGHCQJWVEQ-INIZCTEOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132118
COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c(OC)c1C	PC-id_31015466,MCULE-6756433868,CoCoCo_1362047,CoCoCo_1362046,ZINC22_23337302,EMOLS-id_20562481	436.507	XTTZXBNUSJTRSC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132119
COc1ccc(OC)c(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)c1	ZINC22_20451286,CoCoCo_1233084,EMOLS-id_20473173,MCULE-9232710393,CoCoCo_1233085,PC-id_28954837	436.507	AGASZOGLHLHVPS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132120
COc1ccc(OC)c(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c1	PC-id_42379009,CoCoCo_1138285,ZINC22_12052549,CoCoCo_1138284	436.507	OQXVMYOLRZOZFY-MRXNPFEDSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132121
COc1ccc(OC)c(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c1	ZINC22_12052553,PC-id_42379014,CoCoCo_1138287,CoCoCo_1138286	436.507	OQXVMYOLRZOZFY-INIZCTEOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132122
n12CCN(CCc1nnc2CCNC(=O)c1cccnc1)Cc1ccc(cc1)OCCO	MCULE-6047978269,ZINC22_12040086,PC-id_42371155,EMOLS-id_232710400	436.507	NVVRUCAONVOBPT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132123
O(c1cc(CN2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)ccc1)CCO	EMOLS-id_20395850,PC-id_45169451,MCULE-3303316076	436.507	FFQFRZBMWRGGTP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132124
OCCOc1cccc(c1)CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1cccnc1)C	CoCoCo_1126243,CoCoCo_1126244	436.507	FFQFRZBMWRGGTP-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132125
OCCOc1cccc(c1)CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1cccnc1)C	CoCoCo_1126246,CoCoCo_1126245	436.507	FFQFRZBMWRGGTP-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132126
O=C(N1CCn2c(nnc2CC1)C(NC(=O)c1ncccc1)C(C)C)c1c(oc(c1)C)C	PC-id_45243221	436.507	NOGFPMRFDHCPMB-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-132127
O=C(N1CCN(CC1)C(=O)Cc1c2c([nH]c1)cccc2)Cn1nc2n(CCCCC2)c1=O	PC-id_55809683	436.507	GGKLZCRTOAZKNT-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-132128
CC(C)N1CCCc2c(C1)c(n[nH]2)C(N1CCC(CC1)c1ccccc1C(F)(F)F)O	SCHEMBL20695084,PC-id_137455813	436.514	NBMCYKXRMBQXMC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132129
CCNC(=NCc1nnc2n1CCCCC2)NCCC(c1cccc(c1)C(F)(F)F)C	PC-id_111711831	436.517	WWYDYBNSPJABJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132130
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)C(F)(F)F)C	PC-id_111299821	436.517	DABYLYDGJNJQDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132131
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1cccc(c1)C(F)(F)F)C	PC-id_111324100	436.517	JIVPHCPWLSORFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132132
CN=C(NCCc1nnc2n1CCCCC2)NCCC(c1cccc(c1)C(F)(F)F)C	PC-id_111711603	436.517	XPVKITOMLWQPMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132133
Cc1cn(c2c1C(=O)N(CCC2)CCN1CCCCC1)C=C1c2c(ccc(c2)F)NC1=O	PC-id_86702105	436.522	NCCMJBXTZDLQSX-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-132134
CNCC[C@@H](c1ccccc1)Oc1ccc(c(c1)F)CN1CCCn2c(C1=O)cc(n2)C	PC-id_142566955	436.522	TWOXHEPRFOVUEU-DEOSSOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132135
Fc1cc2C(=Cc3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)C(=O)Nc2c(c1)C	PC-id_77953856	436.522	LQYSIGMSURFLNP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-132136
Fc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)/C(=O)Nc2c(c1)C	SCHEMBL13480265,PC-id_70917207	436.522	LQYSIGMSURFLNP-RGEXLXHISA-N	00000010100000100100000000001010000000000000000000000000	31-01-132137
Fc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCCCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_25115146,SCHEMBL3132291	436.522	GZUCUTLNPGVMJT-CYVLTUHYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-132138
Fc1cc2C(=Cc3[nH]c4CCCN(CCN5CCCCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68523401	436.522	GZUCUTLNPGVMJT-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-132139
CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1cc(ccc1)Oc1ccccn1	PC-id_90596747	436.523	UCIHIJUYSNHRCB-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-132140
COc1cccc(c1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2)OC	SCHEMBL6991783,PC-id_57025674	436.523	PLAFTZOBUSXXFD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132141
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(OC)cc(OC)cc2)cc1	PC-id_57315773	436.523	HFBZPCYLVAOFAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132142
CN(C)c1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1	EMOLS-id_20521243,ZINC22_20783427,CoCoCo_1302131,CoCoCo_1302130,MCULE-1844773023,PC-id_29153208	436.525	QVJBOXWGXOTBCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132143
COc1ccc(cc1OC)S(=O)(=O)N(C)C1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-6956901667,EMOLS-id_97041987	436.525	LJQDECAQVJZXQZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-132144
COc1ccc(OC)c(c1)S(=O)(=O)N(C)C1CCc2nn(CC3CC3)c(=O)n2CC1	EMOLS-id_239612233,MCULE-1267545322	436.525	AZCOIWGSYUZLNZ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-132145
Fc1cccc(c1)C(=O)NCc1nnc2n1CC[N@H+](CC2)Cc1cc2c(s1)cccc2	GD-id_ZINC12079129	436.525	IWHTZXCQWKCWTC-UHFFFAOYSA-O	00000000100000110101000001000010000000000000000000000000	31-01-132146
S(=O)(=O)(c1cc(OCCCN(C(=O)Cn2nc3n(CCCCC3)c2=O)C)ccc1)C	PC-id_56213388	436.525	IOPAMTDUQPTQLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132147
c1(cccn(CC(=O)Nc2sc3c(CCCCC3)n2)c1=O)C(=O)NCc1ccccc1	MCULE-2503725275,EMOLS-id_134307,ZINC22_19749942,BDB-26402051,PC-id_92635130	436.527	HPNOSKGPFKJIFN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132148
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)N[C@H](Cc2ccccc2)C1=O	CoCoCo_4266283,PC-id_25989289,ZINC22_14201450	436.527	UQQNKNNCHYXFGK-RDTXWAMCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132149
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)N[C@@H](Cc2ccccc2)C1=O	CoCoCo_4266284,ZINC22_14201448,PC-id_25989287	436.527	UQQNKNNCHYXFGK-KDOFPFPSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132150
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)N[C@@H](Cc2ccccc2)C1=O	PC-id_25989288,CoCoCo_4266281,ZINC22_14201449	436.527	UQQNKNNCHYXFGK-KSSFIOAISA-N	00000010100000110101000000000010000000000000000000000000	31-01-132151
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)N[C@H](Cc2ccccc2)C1=O	ZINC22_14201451,PC-id_25989290,CoCoCo_4266282	436.527	UQQNKNNCHYXFGK-KBXCAEBGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132152
CN(C1CCCN(c2c1scc2)C(=O)c1ccc(cc1)[N+](=O)[O-])CCc1ccccn1	PC-id_139709953	436.527	MXUYRPWJWQCCBK-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-132153
COc1ccc(cc1)/C=C/C[N@@H+]1CCn2c(CC1)nnc2[C@@H](NC(=O)c1ccoc1C)C	PC-id_26402140,GD-id_ZINC15070922	436.527	SNSBCCQUNWYOFE-BDUNBXCCSA-O	00000000101000110101000000000010000000000000000000000000	31-01-132154
COc1cccc(c1)NC(=O)N1CCc2c(CC1)nc(s2)C(=O)NCc1ccccc1	PC-id_97442461	436.527	WFPCDVGDVIPXBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132155
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)c2ccc(C)nc2)c1	EMOLS-id_313793847,ZINC22_2055793495	436.527	KKTZMKKCGWCDCI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132156
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)Nc2ccccc2)c1	EMOLS-id_44379324,PC-id_97524679,ZINC22_96264746	436.527	NVKZCEBYZSMFEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132157
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)c2ccc(C)nc2)cc1	EMOLS-id_313793590,ZINC22_2055793251	436.527	GQLYBNYUQDLXEZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132158
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)Nc2ccccc2)cc1	PC-id_97524683,ZINC22_96264750,EMOLS-id_44379332	436.527	OPRVDTAYSOOALN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132159
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)NCc2ccccc2)c1	EMOLS-id_44303758,ZINC22_96146895,PC-id_97442419	436.527	SCHZYWLTEVTOGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132160
N#Cc1c(NC(=O)C(N2C(=O)NC(C2=O)Cc2ccccc2)C)sc2c1CCCCC2	MCULE-8943169758,PC-id_17569203	436.527	UQQNKNNCHYXFGK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132161
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)ccc1)C	PC-id_42247934	436.527	NEQGEYPRCYACMP-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132162
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)ccc1)C	PC-id_42247936	436.527	NEQGEYPRCYACMP-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132163
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)ccc1)C	PC-id_74786015	436.527	NEQGEYPRCYACMP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132164
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(cccc3)C)C)CC2)cccc1OC	PC-id_42168851	436.527	ADTSMZIKICHRCS-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132165
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(cccc3)C)C)CC2)cccc1OC	PC-id_42168853	436.527	ADTSMZIKICHRCS-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132166
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(cccc3)C)C)CC2)cccc1OC	PC-id_74780699	436.527	ADTSMZIKICHRCS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132167
OCCOc1cccc(c1)C[N@@H+]1CCc2n(CC1)c(nn2)CNC(=O)Cc1ccccc1	GD-id_ZINC12190248	436.527	CAUFCHOAERNSFG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132168
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1ccc(OC)cc1)C)c1c(occ1)C	PC-id_74503113	436.527	SNSBCCQUNWYOFE-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-132169
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)C)c1c(occ1)C	PC-id_26402138	436.527	SNSBCCQUNWYOFE-LAQIPUCWSA-O	00000000101000110101000000000010000000000000000000000000	31-01-132170
s1c2CCCCCc2cc1C(=O)NNC(=O)C(=O)c1c(n(nc1C)c1ccccc1)C	PC-id_24554129	436.527	JLZWSZHYPWILMV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132171
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(cc1)C)C)C#N	PC-id_45723471	436.527	QLXZDARBWDFLEQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-132172
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc(cc1)C)C)C#N	PC-id_51871936	436.527	QLXZDARBWDFLEQ-HSZRJFAPSA-N	00000010100000110101100000000010000000000000000000000000	31-01-132173
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc(cc1)C)C)C#N	PC-id_51871937	436.527	QLXZDARBWDFLEQ-QHCPKHFHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-132174
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1c(cccc1)C)C)C#N	PC-id_56474603	436.527	WYJRLSUQEYZDAU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-132175
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CC)c1ccccc1)C#N	PC-id_45723489	436.527	APIFMYSDSZMHKG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-132176
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(CC)c1ccccc1)C#N	PC-id_51871940	436.527	APIFMYSDSZMHKG-QHCPKHFHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-132177
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(CC)c1ccccc1)C#N	PC-id_51871941	436.527	APIFMYSDSZMHKG-HSZRJFAPSA-N	00000010100000110101100000000010000000000000000000000000	31-01-132178
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(N2N=C(CC2)C)cc1)C#N	PC-id_55701799	436.527	JHMMJLLECNUAOJ-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-132179
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cn1nc(c2ccccc2)ccc1=O	PC-id_52671662	436.527	ULWCCVRKDKHVSM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132180
CCN(CC)S(=O)(=O)c1ccc(NCCc2nnc3n2CCCCC3)c([N+](=O)[O-])c1	CoCoCo_4469938,MCULE-2156798911,PC-id_40105974,EMOLS-id_44025851,ZINC22_32871572	436.528	MYCFTABMMCCGOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132181
S(=O)(=O)(N1CC(CCC1)C(=O)NCc1n2CCCCCc2nn1)c1c(onc1C)C	PC-id_55519214	436.528	BLCSGLMFIOAFMT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-132182
S(=O)(=O)(N(CC)CC)c1cn(CC(=O)NCc2n3CCCCCc3nn2)c(=O)cc1	PC-id_55452817	436.528	RHDBLSFBEBAAGT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-132183
s1c(N(c2ccccc2)C(=O)C)nc(/C=C/C(=O)NCc2n3CCCCCc3nn2)c1	PC-id_24676678	436.53	BRNDEVYPSOTTJW-VAWYXSNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132184
s1c(N(c2ccccc2)C(=O)C)nc(C=CC(=O)NCc2n3CCCCCc3nn2)c1	PC-id_74311133	436.53	BRNDEVYPSOTTJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132185
CN=C(N1CCN(CC1)S(=O)(=O)Cc1ccon1)NCc1nnc2n1CCCCC2	PC-id_109553524	436.532	QYWBPDGCTBHMBO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-132186
c1(c2CCCCCc2sc1N=Cc1cccc(F)c1)C(=O)Nc1ccc(cc1)OCC	PC-id_3816787,MCULE-5293276764	436.542	OUWRLHSEXYEVHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132187
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1ccc(cc1C)C	TIMTEC36387,SPECS-id_AG-667/13796036,EMOLS-id_8221349,MCULE-1221119362,CoCoCo_1731226,ZINC22_8445647,PC-id_5140288	436.542	QVYONYIMPPFQOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132188
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1c(C)cccc1C	CoCoCo_5959609,TIMTEC178700,ZINC22_2812362,PC-id_2174524,EMOLS-id_2190742,MCULE-4220649861	436.542	GTDBJIYJQADKDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132189
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)NC(C)c1ccccc1	MS2_ST015966,PC-id_2869516,EMOLS-id_2105511,MCULE-5119099868	436.542	VETUNSGQTQZBLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132190
c1(NC(=O)c2ccccc2F)sc2c(CCCCC2)c1C(=O)NCCc1ccccc1	PC-id_2273449,Chemmine_25075,EMOLS-id_2373133,CoCoCo_699282,MCULE-6997522425,ZINC22_2965384,SCHEMBL17183511	436.542	CJHPHEFWWQBGPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132191
C[C@H](NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2)c1ccccc1	PC-id_5660918,CoCoCo_700291,ZINC22_2974583	436.542	VETUNSGQTQZBLA-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132192
C[C@@H](NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2)c1ccccc1	ZINC22_6732317,CoCoCo_700290,PC-id_2276531	436.542	VETUNSGQTQZBLA-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132193
CCOc1ccc(cc1)NC(=O)c1c(/N=Cc2cccc(c2)F)sc2c1CCCCC2	CoCoCo_6728453	436.542	OUWRLHSEXYEVHV-YUMHPJSZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132194
CCOc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2cccc(F)c2)cc1	CoCoCo_6728452,EMOLS-id_46413485,ZINC22_15945872,PC-id_9637345	436.542	OUWRLHSEXYEVHV-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-132195
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(S1(=O)=O)ccn2C)O	SCHEMBL5851656,PC-id_9910903	436.543	BUAYOOUTUWGYMH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132196
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(S1(=O)=O)cn(c2)C)O	SCHEMBL5851409,PC-id_9803082	436.543	LPKOQXYEAHMPII-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132197
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)N	PC-id_41323876,ZINC22_10029384,MCULE-6884156435,EMOLS-id_32180770	436.545	OFMBLQBKERVJBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132198
c1(sc2c(CCCCCC2)c1C(=O)OC)NS(=O)(=O)c1ccc(cc1)NC(=O)C	EMOLS-id_4122622,CoCoCo_6806091,ZINC22_670445,TIMTEC576578,PC-id_1010131,MCULE-6811267566	436.545	YOWPXNUWVVVHSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132199
COC(=O)C1CCCCc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1	SCHEMBL6967128,PC-id_59086017	436.545	VYZDKGISJYNEKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132200
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)N	PC-id_4247505	438.336	FLJHWLBFPAURJU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-132896
COC(=O)c1c(NC(=O)CNc2cccc(S(=O)(=O)C)c2)sc2c1CCCCC2	MCULE-8216704551,CoCoCo_4396997,ZINC22_12589928,PC-id_25378905,EMOLS-id_16752864	436.545	RWCYKIDFFZXUPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132201
COC(=O)CNS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1	EMOLS-id_25006461,MCULE-2273988098,PC-id_26455833,ZINC22_15174082,CoCoCo_4092936	436.545	OIZFFZFYJXUBDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132202
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2c(ccc(c2)C)C)cc1	PC-id_42449251	436.545	PWYZJJCECPWGCY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132203
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)CC(c2ccccc2)C)cc1	PC-id_74800962	436.545	FREKWMRLBGUJCC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132204
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)CCCc2ccccc2)cc1	PC-id_42368579	436.545	XXLLUHHJKUKYQG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132205
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)C[C@H](c2ccccc2)C)cc1	GD-id_ZINC12097947,PC-id_42405742	436.545	FREKWMRLBGUJCC-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132206
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)C[C@@H](c2ccccc2)C)cc1	PC-id_42405740	436.545	FREKWMRLBGUJCC-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-132207
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1	CoCoCo_2861318,PC-id_16282861,ZINC22_9053856,EMOLS-id_8376530,MCULE-1979052403	436.545	FXPQTUXEKCNVAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132208
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cc2c(s1)CCCCC2	ZINC22_16492698,EMOLS-id_33334544,MCULE-2352519883,PC-id_27162328	436.545	NOJARWPKYTWWOY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132209
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)CCOC)cc1	PC-id_56318257	436.545	KARWGUQABNVWAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132210
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1	PC-id_16509385	436.545	ORKGNRKYZFKSHI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132211
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1	PC-id_16509464	436.545	YGPABHOFFCNKRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132212
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OC	PC-id_24072207	436.545	PHTQKWLIVKOZCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132213
s1c2c(CCCCC2)c(c1NC(=O)NS(=O)(=O)c1ccc(cc1)C)C(=O)OCC	PC-id_45112350	436.545	IPHZHQLJXCTELT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132214
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(cc1)C(=O)OCC	PC-id_24421457	436.545	GYFNYMCBGHDBKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132215
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(c(cc(c1)C(=O)O)C)C	PC-id_24449733	436.545	GZMBGZKESPTQJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132216
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(CCC(=O)O)cc1	PC-id_24449734	436.545	ZCZSLXULSUFONW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132217
s1c2CCCCCCc2cc1C(=O)OC(C(=O)Nc1ccc(S(=O)(=O)N)cc1)C	PC-id_16512672	436.545	BKBLYAMSBNCZQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132218
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N)c(cc1)C	PC-id_55365845	436.545	OGFCRJBPFHFZEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132219
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N)cc1	PC-id_41226763	436.545	JLJWXWKBIBAXKD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132220
s1c2CCCCCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(S(=O)(=O)N)cc1)C	PC-id_41226583	436.545	BKBLYAMSBNCZQM-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132221
s1c2CCCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(S(=O)(=O)N)cc1)C	PC-id_41226591	436.545	BKBLYAMSBNCZQM-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132222
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1ccc(c2)OC)CC	SCHEMBL3132947,PC-id_25114484	436.547	YDSOVXOHARCPBF-CYVLTUHYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-132223
CN1CCC(=NO)c2c(C1=O)n(cc2)CCCCN1CCC(CC1)C(=O)c1ccccc1	SCHEMBL9040586,PC-id_88403916	436.547	HJVQGONPEDILRR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-132224
CN=C(NCc1cc(F)ccc1CS(=O)(=O)C)NCCc1nnc2n1CCCCC2	PC-id_109446459	436.547	UHOPPSWETUBMDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132225
O=C1N(CCCc2[nH]c(c(c12)C)C=C1c2c(NC1=O)cc(OC)cc2)CCN(CC)CC	PC-id_68523616	436.547	YDSOVXOHARCPBF-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-132226
c1(C(=O)O)[nH]/c(=NC(=O)CCC(=O)/N=c/sc3c(CCCCC3)[nH]2)/sc1C(C)C	EMOLS-id_49402312,MCULE-1977938072,EMOLS-id_44754710,ZINC22_95473096,STOCK7S-37247,PC-id_71701599	436.548	AMLAGNZEXRTVER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132227
c1(NC(=O)CCC(=O)NCc2ccc(cc2)S(=O)(=O)N)sc2c(CCCCC2)n1	EMOLS-id_335068923,MCULE-9917313328	436.548	YCLFZPTVXPUABX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132228
CCOC(=O)c1c(NC(=O)CSc2nnc3n2CCCCC3)sc(c1C)C(=C)O	CoCoCo_3081691	436.548	VABDFVHBILJTRY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-132229
CCOC(=O)c1c(NC(=O)CSc2nnc3n2CCCCC3)sc(C(=O)C)c1C	ZINC22_9284669,CoCoCo_3081690,PC-id_4826778,MCULE-5438814680,EMOLS-id_11782181	436.548	PJGPHESQNIMCRS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-132230
CCOC(=O)c1c(sc2c1CCCCCC2)NC(=O)CSc1nc(cc(=O)[nH]1)N	PC-id_135439258	436.548	SRJUPZAFEZLLRZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-132231
O=C1NC(Cc2ccccc2)CN(c2c1nn(c2)CCc1ccccc1)Cc1ccccc1	PC-id_142695303	436.548	HDDRLRHFKRKTIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132232
O/C(=C/Sc1nnc2n1CCCCC2)/c1ccc(cc1)S(=O)(=O)N1CCOCC1	CoCoCo_3082144,CoCoCo_3082143	436.548	AJIXUDZIJOBVIS-SAPNQHFASA-N	00000000100010110101000000000010000000000000000000000000	31-01-132233
O/C(=CSc1nnc2n1CCCCC2)/c1ccc(cc1)S(=O)(=O)N1CCOCC1	CoCoCo_3082145,CoCoCo_3082142	436.548	AJIXUDZIJOBVIS-VKAVYKQESA-N	00000000100010110101000000000010000000000000000000000000	31-01-132234
O=C(CSc1nnc2n1CCCCC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1	PC-id_16260244,CoCoCo_3082141,MCULE-6632168753,ZINC22_13028436,EMOLS-id_3528697	436.548	OOAFQFOZSWBGPG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132235
O(C(=O)N1CCN(CC1)CCCNC(=O)Cn1nc2n(CCCCC2)c1=O)C(C)(C)C	PC-id_55866664	436.548	PTWWBKCBACCOTF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-132236
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc([nH]c1)C(=O)N1CCCC1	PC-id_36623313	436.548	CZHRHNZCHVARJY-UHFFFAOYSA-N	00000010110000000100000000000010000000000000000000000000	31-01-132237
s1c2CCCCCc2nc1NC(=O)CNC(=O)CNS(=O)(=O)c1ccc(cc1)C	PC-id_24611835	436.548	YVLCEXHIASBFNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132238
s1c2CCCCCCc2cc1C(=O)NNC(=O)CSCC(=O)Nc1noc(c1)C	PC-id_25443658	436.548	UBADNPBPRQJRNC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132239
c1(C(=O)N2CCC(CC2)c2ccc(c(N)n2)C(=O)N2CCCC2)c2CCCCCc2n[nH]1	EMOLS-id_146907,ZINC22_19766009,PC-id_92640097,MCULE-7663351118,BDC-24753600	436.55	LXWYBHUIHIVAGU-UHFFFAOYSA-N	00000010100010101101100000000010000000000000000000000000	31-01-132241
c1(NC(=S)NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCCCC2)c1C#N	PC-id_1862297,ZINC22_2230615,TIMTEC302533,EMOLS-id_4522236,STOCK3S-67603,MCULE-2606661882	436.55	MBGSVWZLCYMILA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132242
C/C=C/1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)CCC(=O)N1CCNCC1	PC-id_143188793	436.55	WJUWPBYBYFUQMH-IPBDZQFASA-N	00000000100010110101000000000010000000000000000000000000	31-01-132243
CC(C(c1nnc2n1CCN(CC2)Cc1ccc(cc1)N(C)C)NC(=O)c1cocc1)C	ChEMBL-DNDi_CHEMBL28372436,PC-id_45166351	436.55	BIAGICBEDGRNAR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132244
CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1nnc2n1CCCCC2	PC-id_51941445,ZINC22_40088910	436.55	PETSIYIYULXQLD-HXUWFJFHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-132245
CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1nnc2n1CCCCC2	ZINC22_40088909,PC-id_51941444	436.55	PETSIYIYULXQLD-FQEVSTJZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-132246
CC(C(=O)NC(C(=O)N(Cc1nnc2n1CCCCC2)C)Cc1c[nH]c2c1cccc2)C	MCULE-3237330871,PC-id_45884147,EMOLS-id_30250050	436.55	PETSIYIYULXQLD-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-132247
CC(Oc1ccc(cc1)NC(=NCc1nnc2n1CCCCC2)NCCc1ccco1)C	PC-id_111862049	436.55	IYNWERKSYOYGBK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132248
O=c1n2CCCCCc2nn1CC(=O)N(CCCCCc1[nH]nc(c1)c1ccccc1)C	PC-id_55960793	436.55	XTERDFGOJDNXOY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132249
O=C(NCCc1n2CCCCCc2nn1)C(NC(=O)C(C)C)Cc1c2c([nH]c1)cccc2	PC-id_55652023	436.55	SQCLKMAIWXOHAA-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-132250
s1c2CCCCCc2nc1NC(=O)c1oc2c(c1CSc1ncccn1)cccc2	PC-id_56259015	436.55	QNAPUVNGOQKCRE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-132251
CCC(c1nnc2n1CCCCC2)NC(=O)N1CCN(CC1)Cc1nc2n(c1)cccc2	MCULE-6824928242,EMOLS-id_320356422,PC-id_139009338	436.553	PMSKIUBPRQGVRK-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-132252
CC[C@H](NC(=O)N1CCN(Cc2cn3ccccc3n2)CC1)c1nnc2n1CCCCC2	ZINC22_489440472	436.553	PMSKIUBPRQGVRK-IBGZPJMESA-N	00000000100010100101000001000010000000000000000000000000	31-01-132253
CC[C@@H](NC(=O)N1CCN(Cc2cn3ccccc3n2)CC1)c1nnc2n1CCCCC2	ZINC22_489440473	436.553	PMSKIUBPRQGVRK-LJQANCHMSA-N	00000000100010100101000001000010000000000000000000000000	31-01-132254
CCC/C=CC1(/C=CCCC)COc2c(OC1)c(sc2C(=O)OCC)C(=O)OCC	PC-id_142259651	436.562	OSNMTBFBGKQSRE-XSYHWHKQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132255
COc1ccccc1NC(=O)c1c(NC(=O)CC2=CC=CCC2)sc2c1CCCCC2	PC-id_143196359	436.566	XEMVDDSQWHVKGL-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-132256
s1c2CCCCCCc2cc1C(=O)N(Cc1ccc(cc1)C(=O)NC)Cc1occc1	PC-id_37433639	436.566	CIPJURQASCURNM-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-132257
c1(NC(=O)CCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)sc2c(CCCCC2)n1	MCULE-4672762857,EMOLS-id_334763814	436.568	IJQJMEMOCMKSMO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-132258
s1c2c(CCCCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CCOC	PC-id_73244295	436.568	QLBNGEJZQNAYNV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-132259
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(CCC)C(=O)NC1=O)N)CCOC	PC-id_75847477	436.568	BLKBSZBEDOHXPU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-132260
CC(=O)c1ccc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)cc1	PC-id_16554937,EMOLS-id_48933694,CoCoCo_3575829,MCULE-7396852562,ZINC22_36329919,CoCoCo_3575830	436.57	JNXCMBFULDUMSS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132261
N#Cc1c(NC(=O)CCN2CCN(C(=O)c3ccccc3)CC2)sc2c1CCCCC2	PC-id_4850782,CoCoCo_3587983,ZINC22_13148530,EMOLS-id_3431827,MCULE-8388306828	436.57	AYCHASHFNNKTGN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132262
o1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cc1	PC-id_42167116	436.57	TXWFMULWQGCNJA-JOCHJYFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-132263
o1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cc1	PC-id_42167119	436.57	TXWFMULWQGCNJA-QFIPXVFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-132264
o1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cc1	PC-id_74780463	436.57	TXWFMULWQGCNJA-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-132265
o1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc1	PC-id_42439496	436.57	ISDXVQLGWDXZTK-JOCHJYFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-132266
o1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc1	PC-id_42439501	436.57	ISDXVQLGWDXZTK-QFIPXVFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-132267
o1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc1	PC-id_74803608	436.57	ISDXVQLGWDXZTK-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-132268
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)Cc1onc(n1)c1ccc(cc1)C	PC-id_24611527	436.57	UFGMQOKOIFAQQT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132269
s1c2c(CCCCC2)c(c1NC(=O)CCN(C1CC1)Cc1ccc(cc1)C(=O)N)C#N	PC-id_35268045	436.57	PZOAJEUZLPLUGU-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-132270
s1c2c(CCCCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)Nc1ccccc1)C#N	PC-id_26674680	436.57	HXEZFIUFHKPGJT-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-132271
c1(c2CCCCCc2n[nH]1)C(=O)N1CCCC1c1cc(cc(C)n1)Nc1scc(C)n1	BDE-25407065,EMOLS-id_191917,MCULE-8046801978,PC-id_110262829	436.573	DVPOXDHGNUHAIJ-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-132272
c1(c2CCCCCCc2[nH]n1)C(=O)N1CCCC1c1cccc(n1)Nc1scc(C)n1	EMOLS-id_46582061,BDG-26593253,MCULE-7191343815,PC-id_110137309	436.573	OVJVRLITCSWORT-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-132273
C1CN(CCN1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)NCCc1ccc(cc1)N	PC-id_89125826	436.573	ZIXQJPHGAXVLHB-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-132274
Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CCCN2C(=O)c2[nH]nc3c2CCCCC3)n1	PC-id_95832706,ZINC22_72372596	436.573	DVPOXDHGNUHAIJ-FQEVSTJZSA-N	00000010100000101101100000000010000000000000000000000000	31-01-132275
Cc1cc(Nc2nc(C)cs2)cc([C@H]2CCCN2C(=O)c2[nH]nc3c2CCCCC3)n1	ZINC22_72372597,PC-id_95832707	436.573	DVPOXDHGNUHAIJ-HXUWFJFHSA-N	00000010100000101101100000000010000000000000000000000000	31-01-132276
Cc1cnc(s1)Nc1cccc(n1)C1CCCN(C1)C(=O)c1[nH]nc2c1CCCCC2	LAS-26599212,MCULE-8337629286	436.573	BWOMYJPCKYNZFD-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-132277
Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)c3n[nH]c4c3CCCCCC4)n2)n1	ZINC22_257282808	436.573	OVJVRLITCSWORT-IBGZPJMESA-N	00000010100000101101100000000010000000000000000000000000	31-01-132278
Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)c3n[nH]c4c3CCCCCC4)n2)n1	ZINC22_257282809	436.573	OVJVRLITCSWORT-LJQANCHMSA-N	00000010100000101101100000000010000000000000000000000000	31-01-132279
O=C(c1cc2c(s1)/C=CC/C=NC(=N/C2)NCCc1ccc(cc1)N)N1CCNCC1	SCHEMBL13591761	436.573	ZIXQJPHGAXVLHB-SKALBVTPSA-N	00000000100010110111000000000010000000000000000000000000	31-01-132280
s1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)c(nc1c1ccccc1)C	PC-id_46534025	436.573	KWNZOYDSPXKUFO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132281
CCCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCCCCCCC2	GD-id_ZINC08454257,PC-id_40737206	436.585	OOBLGBLOMPAVHM-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-132282
CCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCCCCCCCC2	PC-id_40737906,GD-id_ZINC08455454	436.585	TYZZTAXXEWCQFE-UHFFFAOYSA-M	00000000100000000100000000000010000000000000000000000000	31-01-132283
COc1ccc(cc1)C(=Cc1cc2-c(c1C)cc(ccc2C)C(C)C)c1ccc(cc1)OC	PC-id_101377849	436.585	PZNAMAPIINCXPL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-132284
COc1ccc(cc1)C(=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)OC	PC-id_101761618	436.585	QOUTXVSHWAWZEX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-132285
O=Cc1c2-c(c(Cc3c4-c(c(c3)C=O)ccc(C(C)(C)C)cc4)c1)ccc(C(C)(C)C)cc2	PC-id_11133889	436.585	RJNPVPVUNVXPFW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132286
O=C(c1c2-c(c(cc(cc2C)C)C)cc1)CCCC(=O)c1c2-c(c(cc(cc2C)C)C)cc1	PC-id_72712546	436.585	FRUDJJQAFJDHKY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132287
C(c1c2-c(c(c1)C)ccccc2)(c1c2-c(c(c1)C)ccccc2)c1c2-c(c(c1)C)ccccc2	PC-id_13924931	436.586	BTEGEBZKAVGXDU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132288
C(c1c2-c(cc1C)ccccc2)(c1c2-c(cc1C)ccccc2)c1c2-c(cc1C)ccccc2	PC-id_15795685	436.586	KFDVMWYVYURTSY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132289
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC	PC-id_26901246	436.588	PMUNIXWQJRCLAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132290
s1c2CCCCCCc2cc1C(=O)Nc1ccc(S(=O)(=O)NC(COC)C)cc1	PC-id_55335441	436.588	XABXAMIEPJLQMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132291
s1c2CCCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)c(OCC)cc1	PC-id_25439845	436.588	SNZMMWHAOMOFJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132292
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1ccccc1)c1ccccc1)C(=O)N	PC-id_3268268	436.59	QUHLKSXLBDNZMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132293
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(c2ccccc2)cccc1)C(=O)OC	PC-id_19711822	436.59	VOPQPZBMIQJPGU-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-132294
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)CC)C(=O)OC	PC-id_19716697	436.591	VUTXBVJUZJWDFY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132295
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)CC)C(=O)OC	PC-id_19716813	436.591	SIVVWQAPJSPPCH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132296
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)C)C(=O)OCC	PC-id_19716011	436.591	YZQHOIHKABLJSX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132297
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)C)C(=O)OCC	PC-id_19716146	436.591	RWKBWLWOMLVNCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132298
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)CC)C(=O)OC	PC-id_17297879	436.591	IQZGAWSPHPANJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132299
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC)CC)C(=O)OCC	PC-id_19716533	436.591	JXGIYCXYHKXOHV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132300
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)C)C(=O)OCC	PC-id_19717074	436.591	FGHSESNEKLNBDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132301
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)C)C(=O)OC	PC-id_19715931	436.591	CDQWOWLDEQTCFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132302
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)C)C(=O)OC	PC-id_19716058	436.591	UFPJDFUEKYYDTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132303
s1c2c(CCCCCC2)c(c1NC(=O)CSc1nc([nH]n1)C(C)C)C(=O)OCC	PC-id_4464623	436.591	FDQDTWZKDMAIRF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132304
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)C)C(=O)OC	PC-id_17265790	436.591	TYJUVCRFJXMGDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132305
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC)CC)C(=O)OC	PC-id_19716453	436.591	LKGXGLOAQZQVJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132306
S(c1n2CCCCCc2nn1)CC(=O)Nc1scc(CC(C)C)c1C(=O)OCC	PC-id_29515999	436.591	NBDXTCVZVGBGQS-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-132307
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(OC(C)C)cc1)C(C)C)C	PC-id_74496821	436.591	WQKYULYYJVIJMX-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132308
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(OC(C)C)cc1)C(C)C)C	PC-id_26327225	436.591	WQKYULYYJVIJMX-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132309
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(OC(C)C)cc1)C(C)C)C	PC-id_26327228	436.591	WQKYULYYJVIJMX-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132310
C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4179083,ZINC22_9199510,PC-id_40966411	436.593	QFOAKMHXJAKBRU-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132311
C[C@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9199500,PC-id_40966408,CoCoCo_4179082	436.593	QFOAKMHXJAKBRU-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132312
N#Cc1c(NC(=O)C(Sc2nccn2Cc2ccccc2)C)sc2c1CCCCC2	MCULE-4767731515,PC-id_16336203,EMOLS-id_11776351	436.593	QFOAKMHXJAKBRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132313
CC(CC(c1nnc2n1CCN(CC2)C(=O)CSc1scc(n1)C)NC(=O)C)C	ChEMBL-DNDi_CHEMBL27036150	436.595	FKAQPYORVKFDAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132314
CCNC(=NCCCn1c(C)nc2c1cccc2)NCCCc1nnc2n1CCCCC2	PC-id_111352214	436.596	BSCCJWAHLWFGMS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-132315
CC1=C(C=CCC1NC(=O)c1cc2c(s1)CCCCC2)C1CC=C=C(C(=O)N(C1)C)C	PC-id_143781061	436.609	GDXRDPUXTSKNPY-UHFFFAOYSA-N	00000000100011000110100000000010000000000000000000000000	31-01-132316
c1(ccc2CN(CCCn12)Cc1ccccc1)C(=O)N(CCN(C)C)Cc1cccs1	EMOLS-id_317418329,MCULE-8572717905	436.613	DGZQXIWXAHCFAE-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-132317
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccccc1N1CCCC1	PC-id_25363453,CoCoCo_4240711,ZINC22_12569108,CoCoCo_4240710	436.613	WUJXZAKIYFAWPO-GOSISDBHSA-N	00000010100000110100100000000010000000000000000000000000	31-01-132318
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccccc1N1CCCC1	PC-id_25363455,CoCoCo_4240708,CoCoCo_4240709,ZINC22_12569109	436.613	WUJXZAKIYFAWPO-SFHVURJKSA-N	00000010100000110100100000000010000000000000000000000000	31-01-132319
N#Cc1c(NC(=O)C(N(Cc2ccccc2N2CCCC2)C)C)sc2c1CCCCC2	PC-id_16370762,MCULE-1098885271,EMOLS-id_43983642	436.613	WUJXZAKIYFAWPO-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-132320
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCCN(CC1)Cc1ccccc1)C#N	PC-id_45774409	436.613	PXVSYJVGGPXRQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132321
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)c1c(c(ccc1)C)C)C#N	PC-id_27159041	436.613	KNYBJAJLVWIKPK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132322
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)CCc1ccccc1)C#N	PC-id_34943916	436.613	HTQWFQVUHCWHND-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132323
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(c(ccc1)C)C)C#N	PC-id_22199342	436.613	JWVXMOHHTDNRML-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132324
s1c2c(CCCCCC2)c(c1NC(=O)CN1CC(N(CC1)c1ccc(cc1)C)C)C#N	PC-id_22199636	436.613	LEUIHEAKOMATIU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132325
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C)C#N	PC-id_17280665	436.613	ZVGNEUQXHLAPBJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132326
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1c(cccc1)C)C#N	PC-id_22195319	436.613	KPFBTRNCJUTRAB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132327
c1(ccc2CN(CCCn12)Cc1ccccc1)C(=O)N(CCCC)C1CCN(CC1)CC	EMOLS-id_317418585,MCULE-1932917951	436.633	ZMUGLTHJGWQQHS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132328
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C(C1)CC)c1ccccc1	PC-id_109566455	436.636	WKIUSFPESDADCK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132329
C(c1c2-c(c(c1)C(C)C)cccc(c2)C(C)C)c1c2-c(c(c1)C(C)C)cccc(c2)C(C)C	PC-id_85560131	436.671	AUVGOOJBCOWOFZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132330
CCCC(n1ncc2c1C=C(C)CCC(=C2)/C(=C/C=C(C=C)/OC)/CC)CCC(CC)C	PC-id_144405727	436.672	BLRHZJYWRSHJAJ-GEHQFMAWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-132331
s1c2c(CCCCC2)c(c1NC(=S)NC1CCC(C(C)(C)C)CC1)C(=O)OCC	PC-id_20179945	436.674	NEVIBHLMRLJBGB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-132332
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCC(C(C)(C)C)CC1)C(=O)OC	PC-id_20179938	436.674	MYVAXPAZHRPBBV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-132333
s1c(NC(=S)NC2CC(CC(C2)C)(C)C)c(c2CCCCCCc12)C(=O)OCC	PC-id_19652695	436.674	RLVXKTNMPLLMRA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-132334
s1c(NC(=S)NC2CCC(C(CC)(C)C)CC2)c(c2CCCCCc12)C(=O)OC	PC-id_20180019	436.674	KEKRRKLDYDDJGO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-132335
C[NH2+2]1C(C=CC=C2SC3=C(N2C)CCC[N+](C3)(C)C)SC2=C1CCC[N+](C2)(C)C	SCHEMBL3941651	436.72	JVEJDZPILWFSDO-UHFFFAOYSA-N	00000011000000000111000000000110000000000000000000000000	31-01-132336
CCCCCCC1(CCCCCC)COc2c(OC1)c(sc2C(C)(C)C)C(C)(C)C	SCHEMBL17922083,PC-id_121481046	436.734	ZGFJKQPHUUUOBW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132337
CCCCCCCCCCC1(CCCCCCCCCC)COc2c(OC1)csc2	PC-id_101388194	436.734	IKNLOTBFDBISFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132338
ClC1=Cc2nc([nH]c2CC=C1C#CC1=C(F)CCC=C1)Oc1ccc(c(c1)C(=O)O)C	PC-id_144379572	436.863	XOSIYAKYEJNEJL-UHFFFAOYSA-N	00000000100011110111000000000010000000000000000000000000	31-01-132341
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1Cl)N(=O)=O)C(=O)OC(C)C	PC-id_2164208,EMOLS-id_2126753,TIMTEC404262,CoCoCo_740551,ChEMBL-DNDi_CHEMBL6108700,ZINC22_2740826,MCULE-9475829715	436.909	QKQOLUQAMRYRAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132342
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1N(=O)=O)Cl)C(=O)OC(C)C	ChEMBL-DNDi_CHEMBL6121180,PC-id_2164320,EMOLS-id_2127926,ZINC22_2741657,MCULE-6572710572,CoCoCo_742123,TIMTEC441748	436.909	SAOKNIKCYILSQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132343
c1(c2CCCCCc2sc1NC(=O)c1cc(Cl)ccc1N(=O)=O)C(=O)OC(C)C	CoCoCo_742549,ZINC22_2742079,SPECS-id_AK-968/12162115,MCULE-6931945809,ChEMBL-DNDi_CHEMBL6124979,TIMTEC524193,PC-id_2164385,EMOLS-id_2389406	436.909	WILNWOJVUKQWAC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132344
c1(c2CCCCCc2sc1NC(=O)c1c(Cl)ccc(c1)N(=O)=O)C(=O)OC(C)C	EMOLS-id_2445384,MCULE-4385181529,ZINC22_2086437,PC-id_1744785,ChEMBL-DNDi_CHEMBL7284273,SPECS-id_AK-968/13031302,TIMTEC206167,CoCoCo_905828	436.909	HYCBCLSLDBWLLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132345
c1(NC(=O)c2ccc(cc2Cl)N(=O)=O)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-2872686695,SPECS-id_AK-968/11841191,TIMTEC323710,ChEMBL-DNDi_CHEMBL5693972,PC-id_2162602,ZINC22_2733672,EMOLS-id_2095199,CoCoCo_683193	436.909	MYSWYYFSZCEIDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132346
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_4982509,MCULE-6614540505,ZINC22_8430995,CoCoCo_6806822,EMOLS-id_4122962,TIMTEC360505	436.909	ONUYVZMJWKEZLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132347
c1(NC(=O)c2ccc(cc2N(=O)=O)Cl)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-1698962119,CoCoCo_5823871,ZINC22_2752438,PC-id_5063233,SPECS-id_AK-968/15254199,TIMTEC326631,EMOLS-id_4122966	436.909	NBXKHPRRLJSRFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132348
c1(NC(=O)c2ccc(c(c2)N(=O)=O)Cl)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC398619,MCULE-5028797362,PC-id_4403498,CoCoCo_5819344,SPECS-id_AK-968/12385953,EMOLS-id_4122964,ZINC22_2744899	436.909	QEKWIPXJOZAZPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132349
c1(NC(=O)c2c(Cl)ccc(c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCCC	CoCoCo_6803950,ZINC22_2737525,PC-id_5069477,TIMTEC512767,EMOLS-id_4122978,MCULE-6517205429	436.909	VVSLQLBRIPYASS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132350
Clc1cc(c(OC)cc1)C(=O)NNC(=O)COC(=O)c1sc2CCCCCc2c1	PC-id_16509399	436.909	FVNIBINNHJTSQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132351
Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)c([N+](=O)[O-])cc1	PC-id_4131491	436.909	NDQPOUDWQBSHNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132352
Clc1cc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c([N+](=O)[O-])cc1	PC-id_3342905	436.909	JVKRJQZFXJFZFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132353
Clc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cc1	PC-id_4161515	436.909	BTALOKVWSDMJQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132354
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc([N+](=O)[O-])c1	PC-id_3452131	436.909	DDNKVMVRALZEPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132355
Clc1c(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc([N+](=O)[O-])cc1	PC-id_4174960	436.909	UJTIPCBYUUOEGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132356
Clc1c([N+](=O)[O-])cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cc1	PC-id_4383081	436.909	VJCXHLHYYKFBOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132357
Clc1ncccc1C(=O)OC(C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_24027638	436.909	IOKAOZYTZSABQO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-132358
Clc1ncccc1C(=O)OCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_24109496	436.909	ABLQNGCNYNNIMQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-132359
Clc1ncccc1C(=O)OCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_24109499	436.909	YRRZHIGPZZLJIF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-132360
Clc1nccc(C(=O)OC(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)C)c1	PC-id_23744876	436.909	DOVZQZFYLZURDZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-132361
Clc1nccc(C(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_24082489	436.909	KYOLWLHIKBURQQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-132362
Clc1nccc(C(=O)OCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)c1	PC-id_23802770	436.909	AHYICLNNZIXKLL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-132363
Clc1ccc(CN2CCCn3nc(C(=O)NC4CS(=O)(=O)CC4)cc3C2=O)cc1	PC-id_50797911	436.912	SSHWEAMVQQCBCH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132364
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)CC)c2)Cc1ccc(cc1)Cl	CoCoCo_2544658,MCULE-7845567165,PC-id_20964822,EMOLS-id_16324856	436.934	SHVBVQQNKOQEFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132365
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1C)c2)Cc1ccc(cc1)Cl	CoCoCo_2544651,PC-id_20964815,MCULE-4003192241,EMOLS-id_16324842	436.934	VGRXRFZSLDOPKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132366
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)C)c2)Cc1ccc(cc1)Cl	PC-id_20964789,MCULE-5906959640,EMOLS-id_16324790,CoCoCo_2544623	436.934	RLLNUENWGGODJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132367
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1Cl)c2)Cc1ccc(cc1)C	EMOLS-id_16324684,CoCoCo_2544565,MCULE-2651069018,PC-id_16028422,CHEMBL1553513	436.934	NRSAOKNUHHLPFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132368
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)Cl)c2)Cc1ccc(cc1)C	MCULE-6653497968,PC-id_16028669,ZINC22_8609272,EMOLS-id_16324656,CoCoCo_2544529	436.934	SZGBGAXQFSFLCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132369
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1Cl)c2)Cc1cccc(C)c1	MCULE-6225932739,EMOLS-id_32633258,PC-id_53086407	436.934	URTQDVINZNTVMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132370
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)Cl)c2)Cc1cccc(C)c1	MCULE-8354206952,EMOLS-id_32633096,PC-id_53086379	436.934	UGPXBTAFIFOHKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132371
c12C(=O)N(CCCn1nc(C(=O)NCCc1cccc(C)c1)c2)Cc1ccc(cc1)Cl	PC-id_20964802,EMOLS-id_16324816,MCULE-1712887406,CoCoCo_2544638	436.934	QFRVDTTXFVNRMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132372
c12C(=O)N(CCCn1nc(C(=O)NCCCc1ccccc1)c2)Cc1ccc(cc1)Cl	MCULE-6059791336,EMOLS-id_16324778,PC-id_20964783,CoCoCo_2544617	436.934	DQJGLULWCHXGOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132373
C1CC1CN1CCNc2c(C1=O)n(c(n2)COc1cc(ccc1)Cl)Cc1ccccc1	PC-id_134808656	436.934	ZBXULQQURZAKNC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-132374
Clc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC[C@H](c1ccccc1)C	CoCoCo_2544627	436.934	XBAXKFBYEFIJMY-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132375
Clc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC[C@@H](c1ccccc1)C	CoCoCo_2544628	436.934	XBAXKFBYEFIJMY-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132376
O=C(c1c2-c(c(c1)C(=O)OC)ccccc2)C=C(c1c2-c(c(c1)C(=O)OC)ccccc2)C	PC-id_85406825	438.471	IXPVUNVWPBYFCI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132954
Clc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCc2c(ccc(c2)C)C)cc1	PC-id_53086347	436.934	HRKGBGMJORVPRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132377
Clc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(c2ccccc2)C)cc1	PC-id_20964793	436.934	XBAXKFBYEFIJMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132378
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(CC(=Cc3ccccc3)Cl)CCn12	MCULE-6658854470,PC-id_45174480	436.937	PZIBVVQHOFLDKP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132379
C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2	ZINC22_19742788,CoCoCo_1155406,CoCoCo_1155408	436.937	PZIBVVQHOFLDKP-LCJWNIEWSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132380
C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2	ZINC22_19742790,CoCoCo_1155412,CoCoCo_1155410	436.937	PZIBVVQHOFLDKP-PNWWAVQQSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132381
CC(NC(=O)c1cccnc1)c1nnc2CCN(C/C(=C/c3ccccc3)/Cl)CCn12	EMOLS-id_44851345	436.937	PZIBVVQHOFLDKP-ZHZULCJRSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132382
Cl/C(=C/c1ccccc1)/CN1CCn2c(CC1)nnc2[C@H](NC(=O)c1cccnc1)C	CoCoCo_1155407,CoCoCo_1155405	436.937	PZIBVVQHOFLDKP-HDAKKWKLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132383
Cl/C(=C/c1ccccc1)/CN1CCn2c(CC1)nnc2[C@@H](NC(=O)c1cccnc1)C	CoCoCo_1155411,CoCoCo_1155409	436.937	PZIBVVQHOFLDKP-TYSUYXETSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132384
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl	EMOLS-id_33087390,MCULE-1043023184,PC-id_53182952	436.955	LOCBQONPYVJGJQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132385
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1	MCULE-9411104542,PC-id_53182902,EMOLS-id_33087164	436.955	PZKVEHUOBKUCRC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132386
CCN1CCCn2cc(cc2C1=O)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1	MCULE-4497481254,PC-id_53182919,EMOLS-id_33087256	436.955	NDROVPZBCOROSO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132387
Clc1c(C[NH+]2CCn3c(nnc3CCNC(=O)C(C)C)CC2)ccc(OC)c1OC	PC-id_26352378	436.956	KUYMMHVNRHDHBI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132388
Clc1c(C[NH+]2CCn3c(nnc3CNC(=O)C(CC)C)CC2)cc(OC)c(OC)c1	PC-id_74806185	436.956	PEDQRNGPPQAVHX-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132389
Clc1c(C[NH+]2CCn3c(nnc3CNC(=O)[C@@H](CC)C)CC2)cc(OC)c(OC)c1	PC-id_42468559	436.956	PEDQRNGPPQAVHX-CQSZACIVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132390
Clc1c(C[NH+]2CCn3c(nnc3CNC(=O)[C@H](CC)C)CC2)cc(OC)c(OC)c1	PC-id_42468560	436.956	PEDQRNGPPQAVHX-AWEZNQCLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132391
COc1c(OC)ccc(c1Cl)C[N@H+]1CCc2n(CC1)c(nn2)[C@@H](NC(=O)C(C)C)C	GD-id_ZINC14987738	436.956	KFUYKECETQSVBD-AWEZNQCLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132392
ClC(=Cc1ccccc1)C[NH+]1CCn2c(nnc2CNC(=O)Cc2ccccc2)CC1	PC-id_42451368	436.957	GDIATVBUWAGYAO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132393
c1(NC(=O)CCCS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCCCC2)c1C#N	CoCoCo_5189932,PC-id_18586043,ZINC22_10219077,MCULE-8435702567,EMOLS-id_5624746	436.975	PASHBVWBPLSGEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132394
CCOC(=O)C(C#N)C1C=Cc2c(C=C1)n(c(=O)n2Cc1ccccc1)Cc1ccccc1	PC-id_164095715	439.19	XKBAENXTBNCLRQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133309
c1(NC(=S)NC(=O)c2ccccc2Cl)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_9496750,MCULE-8210357928,EMOLS-id_4645642,PC-id_3468018,STOCK5S-00343	436.975	NLEZFKDGFGLRFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132395
C=CNc1ncccc1CC/C(=C(/CC)Cl)/C=CCOCc1nc2c([nH]1)CC=CC=C2	PC-id_143713150	436.977	YVTHHUVQVMHONA-YUTJTULISA-N	00000000100000101111000000000010000000000000000000000000	31-01-132396
Clc1ccc(C2NNCC2CN2CCn3c(nnc3CCc3ccccc3)CC2)cc1	PC-id_85479546	436.98	PTWHLLVGJRNGNY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-132397
c1(NC(=S)Nc2cccc(Cl)c2C)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-6785697214,PC-id_3301617,TIMTEC600208,EMOLS-id_4123158,ZINC22_17101027,CoCoCo_6800638	437.018	ZPHCRPFHWHWCPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132398
Clc1ccc(CCNC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_19649673	437.018	DHUFCKXKMGCHPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132399
Clc1ccc(CCNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_19649668	437.018	KFJVVIVOCXSEHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132400
Clc1cc(CCNC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_19650031	437.018	KQQXXGLKTXLTFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132401
Clc1ccc(CNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_19649373	437.018	PGWDPZPDNLOXQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132402
Clc1cc(CCNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_19650026	437.018	WEFSTZJEDAEADI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132403
Clc1cc(CNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1	PC-id_20166222	437.018	SJEUWLBDPVGPTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132404
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1C	PC-id_20411059	437.018	AAJZGOCZKBGVTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132405
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c(cc1)C	PC-id_20415223	437.018	DNACKJQYCZTULB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132406
Clc1c(CNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cccc1	PC-id_19650071	437.018	NVCXVVNYWNRPCF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132407
C1CN(CCc2c1c(nn2Cc1ccc(cc1)Cl)S(=O)(=O)C(F)(F)F)C(=O)O	PC-id_163924243	437.042	RDBVZVBJTKIWBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132408
CNC1=C(C2=C(S1)CCN(CC2)CCC3=CC(=CC=C3)I)C#N	PC-id_163996863	437.042	UFLHPVIHILLUNP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132409
CC1=NN=CN1CC/C=C(C=C2)/OC3=C(C=C(C=C3)Br)C(=O)C4CC=CC=C4	PC-id_155196550	437.074	QREXUYAVDAPYIW-ATHFVZRTSA-N	00000000100011110111000000000010000000000000000000000000	31-01-132410
C=CCn1c(=O)/c(=C/c2ccc(Cl)cc2)s/c1=C(C#N)c1nnc2n1CCCCC2	CoCoCo_3610871,PC-id_2309268,CoCoCo_3610870,PD110978,CHEMBL1872280	437.11	PEYAGRSJMVASMD-IMWYKSJCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132411
CC(C)(C)CC(=O)C1=NN2CCCN(CC2=C1)C(=O)OCC3=CC(=CC(=C3)Cl)Cl	PC-id_161318672	437.127	VJVOOKLQMPRLJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132412
CNC(=O)CCCCCCC(=O)C1(CCCCCC2=C1N=NN2CCCC(=O)NC)F	PC-id_161856963	437.28	AGEHJGHUSHLRRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132413
Brc1ccc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)C(=O)OC)cc1	PC-id_56202407	437.288	CDDGUJAHJAGDOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132414
Brc1cc(CN(C(=O)Cn2nc3n(CCCCC3)c2=O)CC=C)c(F)cc1	PC-id_56302015	437.306	YNRXZXQNMTUPGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132415
Brc1oc(C(=O)OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)cc1	PC-id_55417481	437.308	UDBOPDHTAYAVMU-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-132416
BrC1C(=CC2=NC(=O)NC2=C1)NC(=O)CSc1n2CCCCCc2nn1	PC-id_73247715	437.314	ROUDWVZFCVYMQC-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-132417
Brc1nn(c2ncn(CC(=O)Nc3sc4CCCCCc4n3)c(=O)c12)C	PC-id_56425915	437.314	HAKLHXOIBGTJOU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-132418
O=C(CSc1nnc2n1CCCCC2)Nc1cc2[nH]c(=O)[nH]c2cc1Br	ZINC22_12677119,EMOLS-id_11716067,CoCoCo_3933817,MCULE-2525017713,PC-id_16295946	437.314	OCGWGPCTLWBEPD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-132419
C1CC(C1)NC(=O)c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16099722,PC-id_86345837	437.32	GGJMTOCEKAXFFQ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-132420
C1CCN(C1)C(=O)c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16103196,PC-id_86345799	437.32	XYJNJDHWDIXCRD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132421
CCCCCOC(=O)c1c(OCC)c(c2-c1cccc(c2)Br)C(=O)OCC	PC-id_141346776	437.324	JAJOZEILZGBMEB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132422
CCCCOC(=O)c1c2-c(c(c1OCC)C(=O)OCCC)cc(ccc2)Br	PC-id_141346783	437.324	GUUIIYJAYBYUJN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132423
Brc1cc(C(=O)NCCc2n3CCCCCc3nn2)cc(OC)c1OCC	PC-id_55535764	437.331	BJPHAMFNSIACOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132424
C1CN(Cc2cc(nn2C1)CO)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90455726,SCHEMBL16093617	437.336	NMJHBISTHHVOMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132425
NO[C@H](Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(CC1)nnc2C(F)(F)F	PC-id_145532884	437.34	HJJKXQQADQRTTO-SNVBAGLBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132426
Brc1c(C(=O)NNC(=O)c2sc3CCCCCCc3c2)cc(OC)cc1	PC-id_43004090	437.351	DUZSESZLXSPZCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132427
c1(NC(=O)c2cc(Br)cc(C)c2OC)sc2c(CCCCC2)c1C(=O)N	MCULE-1816104847,PC-id_2958813,EMOLS-id_1798718,CoCoCo_1005903,ZINC22_9668150	437.351	AVSGZVBWZOFVKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132428
c1(NC(=O)C=Cc2cc(OC)c(c(Br)c2)OC)sc2c(CCCCC2)n1	MCULE-9727545863	437.351	BMVYPDSCIIGJPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132429
c1(NC(=O)COc2ccccc2Br)sc2c(CCCCCC2)c1C(=O)N	ZINC22_2084359,EMOLS-id_1087963,MCULE-2004043771,SPECS-id_AK-968/12264285,PC-id_1743125,CoCoCo_5818300,TIMTEC324616	437.351	MZSWKNNMPPNBIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132430
CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)cc1Br	PC-id_20166070,ZINC22_32125086	437.351	MYVWKYKUVXYUOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132431
COc1cc(/C=C/C(=O)Nc2nc3CCCCCc3s2)cc(Br)c1OC	EMOLS-id_334605686	437.351	BMVYPDSCIIGJPB-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132432
COC(=O)c1c(NC(=O)CNc2ccc(Br)cc2)sc2c1CCCCC2	ZINC22_12624788,PC-id_3536573,CoCoCo_3640996,EMOLS-id_3062082,MCULE-9534819153	437.351	UXYRXBAYAGYDKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132433
CN=C(NCc1nnc2n1CCCCC2)NCCCc1ccc(cc1F)Br	PC-id_111604100	437.352	JGTOROJXQOVGSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132434
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(N2CCCC2)C)cc(c1)Cl	PC-id_117616616,SCHEMBL16129808	437.363	RGEKUNHLCDBOIF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132435
O=C(NCCc1nnc2n1CCCCC2)C1(c2ccc(Cl)cc2Cl)CCOCC1	PC-id_75417003,EMOLS-id_48221102,ZINC22_95369440,MCULE-8493851810	437.363	UNMOMCXNIRQZFP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132436
FC(=C)c1sc(c(c1Br)C)CNCCCNc1[nH]c2c(n1)C=CC=CC2	PC-id_143028140	437.372	RHOOIIXHKWPGDQ-UHFFFAOYSA-N	00000000100100000111000000000010000000000000000000000000	31-01-132437
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C#N	MCULE-6788175338,CoCoCo_5816096,SPECS-id_AK-968/37171048,PC-id_3438406,EMOLS-id_1094570,ZINC22_8456815,TIMTEC501753	437.383	VJJGTHMEMIXUTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132438
c1(NC(=O)CCCOc2ccc(cc2Br)CC)sc2c(CCCCC2)n1	EMOLS-id_334605944,MCULE-2244760267	437.394	MDGHCWZQBHAUBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132439
FC(F)(F)c1n(nnc1C(=O)NCCc1n2CCCCCc2nn1)c1ccc(F)cc1	PC-id_56246531	437.394	DBKPTVYBZBIUFB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132440
FC(F)(F)c1n(nnc1C(=O)NCCc1n2CCCCCc2nn1)c1cc(F)ccc1	PC-id_56268165	437.394	HILQEBZJGRURCH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132441
CCNC(=NCCCc1ccc(cc1Cl)Cl)NCCc1nnc2n1CCCCC2	PC-id_111720283	437.409	MJLSAPKNAVUPLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132442
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc(c(c1)Cl)Cl)C	PC-id_111306191	437.409	JPPKKNKQHIWYSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132443
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1ccc(cc1Cl)Cl)C	PC-id_111310346	437.409	ZUIHPYOAAWKCBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132444
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1ccc(c(c1)Cl)Cl)C	PC-id_111321902	437.409	DLYHOYWDDXWZCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132445
CN=C(NCCCc1nnc2n1CCCCC2)NCCCc1ccc(cc1Cl)Cl	PC-id_111720478	437.409	VRTBHPRPDGUHAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132446
Fc1cc(F)c(CC(=O)N2CCc3nnc(CNC(=O)C4CCOC4)n3CC2)c(F)c1	EMOLS-id_232726407,MCULE-5483462625,PC-id_45193740	437.416	GIHNFJHZWMPIJY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132447
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncc2c(c1)C(C)(OC2)CC(F)(F)F	SCHEMBL18366506	437.416	DAWVOWFGDXGSDD-KTQQKIMGSA-N	00000010100000100101000000001010000000000000000000000000	31-01-132448
O=C1NCCN(C(=O)Cn2nc3n(c2=O)CCCCC3)[C@H]1c1ccccc1C(F)(F)F	ZINC22_1343305252	437.416	HLCVOQICJFCSPY-KRWDZBQOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132449
O=C1NCCN(C(=O)Cn2nc3n(c2=O)CCCCC3)[C@@H]1c1ccccc1C(F)(F)F	ZINC22_1343305253	437.416	HLCVOQICJFCSPY-QGZVFWFLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132450
O=C(N1CCNC(=O)C1c1ccccc1C(F)(F)F)Cn1nc2n(c1=O)CCCCC2	PC-id_139001350,EMOLS-id_320377367,MCULE-5548131705	437.416	HLCVOQICJFCSPY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132451
O=C(NCc1nnc2n1CCN(C(=O)Cc1c(F)cc(F)cc1F)CC2)[C@@H]1CCOC1	ZINC22_12209811,CoCoCo_1272679	437.416	GIHNFJHZWMPIJY-GFCCVEGCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132452
O=C(NCc1nnc2n1CCN(C(=O)Cc1c(F)cc(F)cc1F)CC2)[C@H]1CCOC1	ZINC22_12209820,CoCoCo_1272680	437.416	GIHNFJHZWMPIJY-LBPRGKRZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132453
Fc1cccc(c1)C(=O)NCc1nnc2CCN(CCn12)C(=O)c1ccc2OCOc2c1	EMOLS-id_20547887,ChEMBL-DNDi_CHEMBL37930375,PC-id_42359193,MCULE-7664363516,ZINC22_12025229	437.424	BSFUFLWWPAEOKA-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-132454
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc(c2cc(ccc2)C(F)(F)F)c1	PC-id_55585663	437.439	HRASYTQNKZNLBR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132455
O=C(CSc1nnc2n1CCCCC2)Nc1cc(C(F)(F)F)ccc1n1cncn1	CoCoCo_3081610,ZINC22_9499148,EMOLS-id_3698457,PC-id_16357326,MCULE-2379584171	437.442	OPIYMFKAIWTJEH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132456
CCOC(=O)c1ccc(cc1)c1cccc(n1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_71569984,SCHEMBL14971086	437.449	XPKNVNCOKSMTTC-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-132457
CCOC(=O)c1ccc(cc1)c1ccc(cn1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14966012,PC-id_89580336	437.449	NHLITMFKCOGXQL-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-132458
CCOC(=O)c1ccc(cc1)c1ccc(nc1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_89580366,SCHEMBL14966056	437.449	OFTVUVHZFDALMR-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-132459
CCOC(=O)c1ccc(cc1)c1cncc(c1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14966241,PC-id_71569985	437.449	JHARHKJEHAAAEZ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-132460
CCOC(=O)c1ccc(cc1)c1nccc(c1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_71569983,SCHEMBL14965635	437.449	UNAIMPUSHIQQID-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-132461
CCOC(=O)C1C(=CNc2c(cnn2C1(C(=O)OCC)Nc1ccccc1)C#N)C(=O)C	PC-id_135818360	437.449	YFBBKSMLTJNQPA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-132462
CC(C)OC(=O)C1=CNCC(c2c(n(nc12)Cc1ccc(cc1)OC)C(F)(F)F)(C)C	PC-id_137351450,SCHEMBL20575324	437.455	ZAAXJXOBYXCEGD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-132463
FC(F)(F)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)cc1	PC-id_45181429,EMOLS-id_20447713,MCULE-3536750669	437.459	NSJFVYOINIWPKM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132464
FC(F)(F)c1ccc(CN2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55570827	437.459	SKWKOJOVKJFNEN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132465
FC(F)(F)c1cc(CN2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_78846410	437.459	NPHZQMKWMXTAHY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132466
FC(F)(F)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(N2CCCCC2)cc1	PC-id_55560888	437.459	YJSHLGWVVKZQBW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132467
FC(F)(F)Oc1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1	MCULE-8331954350,EMOLS-id_20431689,ZINC22_19836937,ChEMBL-DNDi_CHEMBL16115391,CoCoCo_1174949,PC-id_28390386,CoCoCo_1174950	437.459	CYSKYHWFPINNHH-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-132468
O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_46873279,MCULE-6756007373,EMOLS-id_31978638,PC-id_46483101	437.459	YMDYVQHNELSSGJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132469
O=C(NCCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2)[C@H]1CCCO1	CoCoCo_1197147,CoCoCo_1197149,ZINC22_14880463	437.459	NSJFVYOINIWPKM-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132470
O=C(NCCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2)[C@@H]1CCCO1	CoCoCo_1197148,ZINC22_14880461,CoCoCo_1197150	437.459	NSJFVYOINIWPKM-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132471
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(OC(F)F)ccc1	PC-id_24554104	437.46	LEQXFIUWRGKGSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132472
CCOC(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(F)cc(c1)c1ccccc1	SCHEMBL16100169,PC-id_90460853	437.463	XNRLAOJVWZQTHJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132473
COC(=O)c1ccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1	CoCoCo_1272063,MCULE-1730586040,EMOLS-id_20500507,CoCoCo_1272064,PC-id_29087955,ZINC22_20600798	437.467	KWOGATRQHBJFIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132474
Fc1ccc(CNC(=O)c2ccc(NC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)cc1	PC-id_78891782	437.467	LZMPSZLWHNVWRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132475
Fc1ccc(C(=O)Nc2cc(CNC(=O)Cn3nc4n(CCCCC4)c3=O)ccc2)cc1	PC-id_55893395	437.467	LIGMJQFRLDHZBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132476
Fc1cc(C(=O)Nc2cc(CNC(=O)Cn3nc4n(CCCCC4)c3=O)ccc2)ccc1	PC-id_55894061	437.467	ZYBMFIUDKXGPBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132477
Fc1c(CNC(=O)c2ccc(NC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)cccc1	PC-id_78890730	437.467	ZRHGFKPCQBWODI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132478
Fc1c(NC(=O)Cc2ccccc2)cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_78892578	437.467	NZNPVTKJCVBHGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132479
N#Cc1c(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	ZINC22_3433490,CoCoCo_2930509,EMOLS-id_3394327,MCULE-7506857574,PC-id_2553106	437.468	MAKQMYVGJTTWHU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-132480
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc2c(C(=O)N(C2=O)C)cc1)C#N	PC-id_24375068	437.468	PYJXLJREMMTRGW-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-132481
CN=C(NC1CCN(CC1)S(=O)(=O)C(F)(F)F)NCc1nnc2n1CCCCC2	PC-id_109636373	437.484	PBTMHGGIUREZPX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-132482
Fc1ccc(c(c1)C(=O)NC(c1nnc2n1CCN(CC2)C/C=C/c1ccccc1)C)F	ChEMBL-DNDi_CHEMBL18549091	437.485	HIAFWSISQZDTSD-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132483
CC1(CCCc2c(C1NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C)cco2)C	PC-id_137479612,SCHEMBL20721313	437.488	LOHVVDWKGQWDQQ-UHFFFAOYSA-N	00000100100000110100000000000010000000000000000000000000	31-01-132484
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1oc(S(=O)(=O)N)cc1)C)C#N	PC-id_55643995	437.49	VBQHAKZEFQPUFO-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-132485
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3ccc(cc3)C(=O)OC)CCn12	PC-id_26343780,CoCoCo_1373455,ZINC22_14989185,MCULE-5323640445,EMOLS-id_20570145,CoCoCo_1373454	437.492	UBEZZEJNZLIZEL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132486
CC(C)C(=O)NCCc1nnc2CCN(CCn12)C(=O)c1ccc(Oc2ccccc2)o1	PC-id_26316937,ZINC22_14951930,MCULE-3281816929,EMOLS-id_20606969,CoCoCo_1428625	437.492	AMFNXAMVZLQYJE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132487
CNCCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(cc2)NC(=O)CO	SCHEMBL3144294,PC-id_68527717	437.492	OIZMJEFGZWZKJZ-WJDWOHSUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-132488
CNCCN1CCCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(cc2)NC(=O)CO	SCHEMBL3144308,PC-id_68527722	437.492	OIZMJEFGZWZKJZ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-132489
COc1ccc2c(c1)n(C)cc2CCN1C(=O)CC/C=CCCN(C(=O)c2oc1nn2)C	PC-id_102109204	437.492	RJHNNZQPUWHNDN-PLNGDYQASA-N	00000000100000100111000001100010000000000000000000000000	31-01-132490
COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccc4OC)n3CC2)c(O)c1	CoCoCo_1152814,CoCoCo_1152813,ZINC22_19742133,EMOLS-id_20415666,MCULE-9307588950,PC-id_28310925,ChEMBL-DNDi_CHEMBL13772967	437.492	ATCQAAXMNZZABM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132491
COc1cc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)ccc1O	EMOLS-id_232718398,ZINC22_20449021,PC-id_28953320,MCULE-5063358139	437.492	UTKWCUAALNVMDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132492
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc4c(c2)CCO4)CC3)o1	ZINC22_15006177,ChEMBL-DNDi_CHEMBL93510542,EMOLS-id_20734345,CoCoCo_1623303,CoCoCo_1623304,MCULE-5245379410,PC-id_26361538	437.492	BNHTZTAQXNGJHL-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-132493
O=c1n2CCCCCc2nn1CC(=O)NCc1ccc(Oc2c(OCC)cccc2)nc1	PC-id_55805129	437.492	SVCBEXZHPGLIRB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132494
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(Oc2ccc(OCC)cc2)ncc1	PC-id_55887191	437.492	KLTRXURFACLXPC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132495
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(OC)c(OCc2ccncc2)cc1	PC-id_55747905	437.492	FFRCEGDNEDINAV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132496
CC(C)[C@H]1NC(=O)CCCn2cc(CNC(=O)[C@@H](NC(=O)[C@@H](C)NC1=O)[C@@H](C)O)nn2	MCULE-4319318198,EMOLS-id_289994955	437.493	QINQVEYKCSZXOA-BHTHQVBYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132497
N#Cc1ccc(c(c1)Oc1ccccc1)NC(=O)NCC1C/C=CC=C/C(=C)c2n1cnc2	SCHEMBL18034555,PC-id_122504270	437.493	RZPUBLDPTBPDOJ-LYSDVQLSSA-N	00000000100000110111000000000010000000000000000000000000	31-01-132498
N#Cc1ccc(cc1Oc1ccccc1)NC(=O)NCC1C/C=CC=C/C(=C)c2n1cnc2	SCHEMBL18034758,PC-id_122504451	437.493	MTBBOVAJSDIDGC-LYSDVQLSSA-N	00000000100000110111000000000010000000000000000000000000	31-01-132499
O=C1NC(=O)N(C(N)C1N(CCOC)C(=O)Cn1nc2n(CCCCC2)c1=O)CCC	PC-id_76238803	437.493	FXZMNLHAFAZTNY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-132500
CCOCCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL19659442	437.495	YIYRJYXIBBPJBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132501
CCOCCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367407	437.495	YIYRJYXIBBPJBX-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132502
CCOCCc1nn2c(c1)N(C)C(=O)[C@@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367408	437.495	YIYRJYXIBBPJBX-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132503
c1(C(F)F)c2CCCc2n(CC(=O)Nc2sc3CCCCCc3c2C(=O)OCC)n1	ZINC22_36613917,PC-id_19590983,MCULE-4466060023,EMOLS-id_8867463,TIMTEC104936	437.503	COPRVHBXDJZVMT-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-132504
CC1CCCC/C=CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	PC-id_140762654	437.503	UVEYFDWBOHNQKA-ALCCZGGFSA-N	00000000100000110111000000000010000000000000000000000000	31-01-132505
CC1CCCC/C=C/Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18352812	437.503	UVEYFDWBOHNQKA-FNORWQNLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-132506
Fc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCC(=O)N3CCOCC3)/C(=O)Nc2cc1	PC-id_60113708,SCHEMBL6702561	437.507	JXQZNWVSYIOFAD-HKWRFOASSA-N	00000010100010100101000000001010000000000000000000000000	31-01-132507
Fc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)N3CCOCC3)C(=O)Nc2cc1	PC-id_72651802	437.507	JXQZNWVSYIOFAD-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-132508
Fc1ccc(cc1)C(=O)C1CCN(CC1)CC=CCn1ccc2c1C(=O)N(C)CCC2=O	PC-id_54560804,SCHEMBL9041142	437.507	ZQKFDBHAVRGNIS-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-132509
Fc1ccc(cc1)C(=O)C1CCN(CC1)C/C=C/Cn1ccc2c1C(=O)N(C)CCC2=O	SCHEMBL9041131,PC-id_19937379	437.507	ZQKFDBHAVRGNIS-NSCUHMNNSA-N	00000000100010110100000000000010000000000000000000000000	31-01-132510
Fc1ccc(cc1)C(=O)C1CCN(CC1)C/C=CCn1ccc2c1C(=O)N(C)CCC2=O	SCHEMBL9041349	437.507	ZQKFDBHAVRGNIS-IHWYPQMZSA-N	00000000100010110100000000000010000000000000000000000000	31-01-132511
[O-]/C(=NS(=O)(=O)c1ccccc1)/CCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	GD-id_ZINC29412659	437.508	OMSNLRUOTIMQAS-UHFFFAOYSA-L	00000010100000110110000000000010000000000000000000000000	31-01-132512
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])ccc1F)C(=O)OCC	PC-id_20413184	437.508	JFZGRJLNOZKUQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132513
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])c(F)cc1)C(=O)OCC	PC-id_20411746	437.508	SCTZJYDWIYNLQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132514
s1c2c(CCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(F)cc1)C(=O)OCC	PC-id_19687421	437.508	OPGCPKHYCFIJBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132515
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])ccc1F)C(=O)OC	PC-id_20413177	437.508	HYVPVRIXSQKULI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132516
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])c(F)cc1)C(=O)OC	PC-id_20411739	437.508	AQECLWOWLYUYEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132517
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(F)cc1)C(=O)OC	PC-id_19687414	437.508	XGYMLULXMIHDER-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132518
C/C(=Cc1ccco1)/CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1	PC-id_42210185,CoCoCo_1115914,ZINC22_64002414,EMOLS-id_44851093,ChEMBL-DNDi_CHEMBL10056390,CoCoCo_1115916	437.51	WQIIDCPHGNCXEX-OBGWFSINSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132519
CCOc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1	ZINC22_20777221,PC-id_29150695,MCULE-2408530230,CoCoCo_1288010,EMOLS-id_20511613,CoCoCo_1288011	437.51	GQHMQOKSUZWVTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132520
COc1cc(C)c(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1C	ZINC22_20780675,PC-id_29151996,CoCoCo_1294791,ChEMBL-DNDi_CHEMBL31138624,CoCoCo_1294792,MCULE-8349742514,EMOLS-id_20516263	437.51	JLBGTSYRYMYHEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132521
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1C	CoCoCo_1372533,ZINC22_14988940,MCULE-6512787651,EMOLS-id_20569579,CoCoCo_1372534,PC-id_26343515	437.51	KNWDFTKNNYEDBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132522
COc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1	EMOLS-id_20543207,ChEMBL-DNDi_CHEMBL36893823,CoCoCo_1333652,MCULE-3455231488,ZINC22_20919238,CoCoCo_1333653,PC-id_29219397	437.51	SFJRARFKNIZYAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132523
COc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1C	PC-id_29214975,CoCoCo_1324429,MCULE-4393420923,ZINC22_20912291,EMOLS-id_20536741,CoCoCo_1324428	437.51	OXXJIJNEVKJWCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132524
n12CCN(CCc1nnc2CCNC(=O)Cc1ccc(cc1)F)CC(=Cc1ccco1)C	MCULE-9285301427,PC-id_74781343	437.51	WQIIDCPHGNCXEX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132525
O=C(Cc1ccc(cc1)F)NCCc1nnc2n1CCN(CC2)C/C(=Cc1ccco1)/C	CoCoCo_1115913,CoCoCo_1115915	437.51	WQIIDCPHGNCXEX-SDXDJHTJSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132526
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1OC)CC(=O)[O-]	PC-id_52689747	437.51	OBIQKHCHUWNZAM-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-132527
CC(=O)N/C(=C/c1ccccc1)/C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_33470299,CoCoCo_2833177	437.511	YBBVGJYJAJCVJO-XDHOZWIPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132528
COc1ccc(cc1)C(=O)N1CCc2nc(sc2CC1)C(=O)Nc1cccc(OC)c1	EMOLS-id_44303750,PC-id_97442415,ZINC22_96146891	437.511	NIVPKILYTXQNIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132529
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)c2cccc(OC)c2)c1	PC-id_97442414,EMOLS-id_44303748,ZINC22_96146890	437.511	YKRXTUWGEFBWBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132530
N#Cc1c(NC(=O)COC(=O)C(=Cc2ccccc2)NC(=O)C)sc2c1CCCCC2	EMOLS-id_26031944,MCULE-7943095356,PC-id_4801454	437.511	YBBVGJYJAJCVJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132531
N#Cc1c(NC(=O)COC(=O)/C(=C/c2ccccc2)/NC(=O)C)sc2c1CCCCC2	PC-id_16249269,CoCoCo_2833176	437.511	YBBVGJYJAJCVJO-UNOMPAQXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132532
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(N2CCCC2=O)cc1)C#N	PC-id_4389479	437.511	MDWBVWFQGOZCBJ-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-132533
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(NC(=O)C2CC2)cc1)C#N	PC-id_32284187	437.511	FZEQYSMPZLFPFV-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-132534
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(N2CCCC2=O)ccc1)C#N	PC-id_28194676	437.511	GEPSAMSHZNWGSV-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-132535
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)c2occc2)cc1	PC-id_24487622	437.511	KDJWHVATTJAVGD-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-132536
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)c2occc2)ccc1	PC-id_52671660	437.511	WJSNYHAUCAHRBX-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-132537
S(=O)(=O)(NCCC(=O)NCc1n2CCCCCc2nn1)c1cc(OC)c(OC)cc1	PC-id_55519430	437.513	BSJPHSQDAUYMLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132538
S(=O)(=O)(NC(COC)C)c1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55582834	437.513	HNGRWTLILBZUNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132539
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)C)CC2)ccc1O)CC	PC-id_42452465	437.515	VOGWMYRIUVWACZ-MRXNPFEDSA-O	00000000100000111101000000000010000000000000000000000000	31-01-132540
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)C)CC2)ccc1O)CC	PC-id_42452466	437.515	VOGWMYRIUVWACZ-INIZCTEOSA-O	00000000100000111101000000000010000000000000000000000000	31-01-132541
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)ccc1O)CC	PC-id_74804375	437.515	VOGWMYRIUVWACZ-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-132542
Oc1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3cccnc3)CC2)cccc1OCC	PC-id_42246653	437.515	SWCDOHMSZMPGSO-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-132543
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)C)CC2)cccc1OC)C	PC-id_26278587	437.515	GMPAOGHCQJWVEQ-MRXNPFEDSA-O	00000000100000111101000000000010000000000000000000000000	31-01-132544
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)C)CC2)cccc1OC)C	PC-id_26278589	437.515	GMPAOGHCQJWVEQ-INIZCTEOSA-O	00000000100000111101000000000010000000000000000000000000	31-01-132545
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)C)CC2)cc(OC)cc1)C	PC-id_42379008	437.515	OQXVMYOLRZOZFY-MRXNPFEDSA-O	00000000100000111101000000000010000000000000000000000000	31-01-132546
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)C)CC2)cc(OC)cc1)C	PC-id_42379013	437.515	OQXVMYOLRZOZFY-INIZCTEOSA-O	00000000100000111101000000000010000000000000000000000000	31-01-132547
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)cccc1OC)C	PC-id_74494143	437.515	GMPAOGHCQJWVEQ-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-132548
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)cc(OC)cc1)C	PC-id_74793409	437.515	OQXVMYOLRZOZFY-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-132549
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)c3ncccc3)CC2)ccc(OC)c1C)C	PC-id_42501215	437.515	XTTZXBNUSJTRSC-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-132550
s1c2CCCCCc2nc1NC(=O)c1cc([N+](=O)[O-])c(NC(c2ncccc2)C)cc1	PC-id_56019807	437.515	BOQYKABCGOPVMP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132551
CNC(=O)/C(=C/c1c2CNC(=CC(=NC3CC3)n2nc1)/C(=C/C=C)/SCC#N)/NC=O	PC-id_137252627	437.518	HPCXIQPNXRBUJZ-UCAWUISJSA-N	00100000100000000111000000000010000000000000000000000000	31-01-132552
CNC(=O)/C(=C/c1cnn2c1CN=C(C=C2NC1CC1)/C(=C/C=C)/SCC#N)/NC=O	SCHEMBL19526926	437.518	AKTGZXTZDZLLLK-MWINJIQGSA-N	00100000100000000111000000000010000000000000000000000000	31-01-132553
Fc1ccc(c(c1)F)NC(=O)N1CCCn2c(C1Cc1ccc(cc1)C(C)(C)C)ccc2	SCHEMBL4055029,PC-id_25215976	437.525	XVQGLOVFTHLABN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132554
Fc1ccc(cc1)c1csc(n1)Cc1c2-c(c(c1C)C(=O)c1ccccc1)ccccc2	PC-id_139814851	437.528	XQHYQTFDALHDSM-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-132555
s1c2c(CCCCC2)c(c1NC(=O)CCc1ccc(F)cc1)C(=O)Nc1ncccc1	PC-id_76310342	437.53	RBMTTZDHLSHILO-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-132556
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1ccc(OC)cc1)C(=O)OC	PC-id_44009305	437.53	GYONVKQCFHRBPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132557
O=C1/C(=Cc2ccc3-c2ccccc3)/c2c(N1C(c1ccccc1)c1ccccc1)cccc2	PC-id_59301671,SCHEMBL3282975	437.531	WOLBAAVXTKGNPY-IADYIPOJSA-N	00000010100000110110000000001010000000000000000000000000	31-01-132558
O=C1C(=Cc2ccc3-c2ccccc3)c2c(N1C(c1ccccc1)c1ccccc1)cccc2	SCHEMBL3282980,PC-id_25264356	437.531	WOLBAAVXTKGNPY-UHFFFAOYSA-N	00000010100000110110000000001010000000000000000000000000	31-01-132559
O=C1/C(=C/c2ccc3-c2ccccc3)/c2c(N1C(c1ccccc1)c1ccccc1)cccc2	SCHEMBL3291824	437.531	WOLBAAVXTKGNPY-QUPMIFSKSA-N	00000010100000110110000000001010000000000000000000000000	31-01-132560
s1c2c(CCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_74534442	437.531	AZBIFZWXRDSIOE-UHFFFAOYSA-M	00000000100011110100000000000010000000000000000000000000	31-01-132561
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27528514	437.531	AZBIFZWXRDSIOE-DLBZAZTESA-M	00000000100011110100000000000010000000000000000000000000	31-01-132562
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27528517	437.531	AZBIFZWXRDSIOE-IRXDYDNUSA-M	00000000100011110100000000000010000000000000000000000000	31-01-132563
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27528520	437.531	AZBIFZWXRDSIOE-IAGOWNOFSA-M	00000000100011110100000000000010000000000000000000000000	31-01-132564
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_27528523	437.531	AZBIFZWXRDSIOE-SJORKVTESA-M	00000000100011110100000000000010000000000000000000000000	31-01-132565
S(=O)(=O)(NC(C(C)C)C(=O)NCCc1n2CCCCCc2nn1)c1c(F)cccc1	PC-id_76857796	437.531	BZHPFERSUFTVBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132566
S(=O)(=O)(N(CCCC(=O)NCCc1n2CCCCCc2nn1)C)c1ccc(F)cc1	PC-id_55535133	437.531	BVJGUSOUCLJVJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132567
S(=O)(=O)(N[C@@H](C(C)C)C(=O)NCCc1n2CCCCCc2nn1)c1c(F)cccc1	PC-id_60389587	437.531	BZHPFERSUFTVBJ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-132568
COc1ccc(cc1NC(=O)C)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_27357043,PC-id_17527039,CoCoCo_3538143,MCULE-4429174526	437.533	FKCXRVKQAMSINX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132569
COc1ccc(cc1S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2)NC(=O)C	CoCoCo_3538131,MCULE-5801079320,EMOLS-id_24109808,PC-id_25608874	437.533	YPXCYZAHQTXASD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132570
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)CCS(=O)(=O)C)c1	EMOLS-id_313728726,ZINC22_1142529541	437.533	VYVMWZRPBQFZEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132571
Fc1cc(CC(=O)NCc2n3CC[NH+](CCc3nn2)Cc2ccc(N(C)C)cc2)ccc1	PC-id_42277482	437.533	QVJBOXWGXOTBCI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132572
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(OC)C)cc1	PC-id_26312415	437.533	ZMVBGIIKXUNFIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132573
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[nH]c(=O)cc(O)n1)C(=O)OCC	PC-id_24138572	437.533	MLWKSBAOUGVPJZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-132574
s1c2c(CCCCC2)c(c1NC(=O)CN(S(=O)(=O)c1cccnc1)C)C(=O)OC	PC-id_52638573	437.533	DUEPZTIFMMEZMD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-132575
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[nH]c(=O)cc(O)n1)C)C(=O)OCC	PC-id_24108309	437.533	IIHUKDYOEMCXSS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-132576
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)CN1C(=O)CCC1=O)C(=O)OCC	PC-id_24017116	437.533	REBQDCQOWHTWQE-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-132577
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N)ccc1OC	PC-id_43004095	437.533	FKBMWXCPIDUOEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132578
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(c(cc([N+](=O)[O-])c1)C)C	PC-id_24510084	437.533	MXPLHHRFVOMFRA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132579
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[nH]c(=O)cc(O)n1)C(=O)OC	PC-id_24056702	437.533	QPULTSNOZHOAAH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-132580
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(OC)c3)CCn12	ChEMBL-DNDi_CHEMBL22102482,PC-id_45186432,EMOLS-id_20468967,MCULE-9976360934	437.535	MRPYXJUIJQZNJJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132581
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccc(cc3)OCC)CCn12	PC-id_45197842,EMOLS-id_20519149,MCULE-3898890218	437.535	TXTQDVWZYINPET-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132582
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccccc3OCC)CCn12	PC-id_45207919,EMOLS-id_20563067,MCULE-9246740778,ChEMBL-DNDi_CHEMBL41406848	437.535	SMKXUACUFKKAHB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132583
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3ccc(c(C)c3C)OC)CCn12	EMOLS-id_68875012,ZINC22_299771518,PC-id_118754785,MCULE-9744415976	437.535	PXUMIAMPLMWPHX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132584
C1CN(CCC1C)C(=O)CN(C)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	PC-id_46049576,EMOLS-id_25388024,MCULE-4502154317	437.535	UZJZXFWUJIKRDW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132585
C1N(CCC1)C(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	MCULE-7191031227,EMOLS-id_25387538,PC-id_46049634	437.535	BIVSLZVNKXOSCE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132586
CC(C(C(=O)N1CCCC1)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_46049603,MCULE-5181154112,EMOLS-id_25387598	437.535	OFKGIOMIJBEKGH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132587
CC(C(C(=O)NCC1CC1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_46049601,MCULE-5002390878,EMOLS-id_25387328	437.535	RJWWWVXYEDEXHF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-132588
CC([C@@H](C(=O)N1CCCC1)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332372	437.535	OFKGIOMIJBEKGH-NRFANRHFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132589
CC([C@H](C(=O)N1CCCC1)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332373	437.535	OFKGIOMIJBEKGH-OAQYLSRUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132590
CC([C@@H](C(=O)NCC1CC1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332256	437.535	RJWWWVXYEDEXHF-NRFANRHFSA-N	00100000100000110101000000000010000000000000000000000000	31-01-132591
CC([C@H](C(=O)NCC1CC1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332257	437.535	RJWWWVXYEDEXHF-OAQYLSRUSA-N	00100000100000110101000000000010000000000000000000000000	31-01-132592
CCCNC(=O)C1CCCCN1C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25386828,MCULE-3193217149,PC-id_46049471	437.535	APPXMORDCZNLCC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132593
CC(C)NC(=O)C1CCCCN1C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049465,EMOLS-id_25387046,MCULE-8997088602	437.535	TYXJOVIJDHPDQI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132594
CCCNC(=O)C1CCN(CC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25387058,PC-id_46049485,MCULE-3032466025	437.535	BXLXESSYOHIMRO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132595
CC(C)NC(=O)CCN(C1CC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049953,EMOLS-id_25388186,MCULE-3462328665	437.535	KSIJISSMZHCJAE-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-132596
CCCNC(=O)CCN(C1CC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049957,MCULE-2206908231,EMOLS-id_25387746	437.535	JYFPHJMZADKKNQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-132597
CCCNC(=O)[C@@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_93331922	437.535	APPXMORDCZNLCC-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132598
CCCNC(=O)[C@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_93331923	437.535	APPXMORDCZNLCC-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132599
CC(C)(O)C#Cc1ccc(CN2CCc3nnc(CNC(=O)C4CCOC4)n3CC2)cc1	ChEMBL-DNDi_CHEMBL99022407,MCULE-7069703696,PC-id_45167554,EMOLS-id_232819690	437.535	IGLADZSDTYNVNY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132600
CC(C)(O)C#Cc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)cc1	ZINC22_20868976	437.535	IGLADZSDTYNVNY-HXUWFJFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132601
CC(C)(O)C#Cc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)cc1	ZINC22_20868980	437.535	IGLADZSDTYNVNY-FQEVSTJZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132602
C[C@@H](C(=O)NC1CCCCC1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332558	437.535	ZZEUEXFKSARVOA-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132603
C[C@H](C(=O)NC1CCCCC1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332559	437.535	ZZEUEXFKSARVOA-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132604
CCN(CCC(=O)NCC1CC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-3215590644,EMOLS-id_25387106,PC-id_46049633	437.535	QWFYQSNTLCKYQL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-132605
CCN(C)C(=O)CCN(C1CC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-7173901884,PC-id_46049649,EMOLS-id_25387548	437.535	QFXVJPRFNMVAOC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-132606
CC(NC(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1)C(=O)NC1CCCCC1	PC-id_46049847,MCULE-9434498726,EMOLS-id_25388518	437.535	ZZEUEXFKSARVOA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132607
CC(NC(=O)[C@@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332096	437.535	TYXJOVIJDHPDQI-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132608
CC(NC(=O)[C@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332097	437.535	TYXJOVIJDHPDQI-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132609
CCOc1ccccc1CN1CCc2nnc([C@H](NC(=O)c3ccoc3)C(C)C)n2CC1	CoCoCo_1362949,ZINC22_23337420,PC-id_31015598,CoCoCo_1362948	437.535	SMKXUACUFKKAHB-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132610
CCOc1ccccc1CN1CCc2nnc([C@@H](NC(=O)c3ccoc3)C(C)C)n2CC1	CoCoCo_1362950,CoCoCo_1362951,ZINC22_23337418,PC-id_31015596	437.535	SMKXUACUFKKAHB-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132611
CCOc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	CoCoCo_1298981,ZINC22_20782312,CoCoCo_1298980	437.535	TXTQDVWZYINPET-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132612
CCOc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	CoCoCo_1298982,ZINC22_20782310,CoCoCo_1298983	437.535	TXTQDVWZYINPET-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132613
COc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1	PC-id_42189019,CoCoCo_1226963,ZINC22_11812811,CoCoCo_1226964	437.535	MRPYXJUIJQZNJJ-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132614
COc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1	ZINC22_11812810,CoCoCo_1226961,PC-id_42189017,CoCoCo_1226962	437.535	MRPYXJUIJQZNJJ-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132615
COCc1ccc(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)o1	ChEMBL-DNDi_CHEMBL31490678,MCULE-9135100343,PC-id_45197567,EMOLS-id_20518035	437.535	QUOOFWWZHAAVTL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132616
COCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)o1	CoCoCo_1297301,CoCoCo_1297300,PC-id_29152400,ZINC22_20781588	437.535	QUOOFWWZHAAVTL-GOSISDBHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132617
COCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)o1	CoCoCo_1297302,PC-id_29152401,ZINC22_20781592,CoCoCo_1297303	437.535	QUOOFWWZHAAVTL-SFHVURJKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132618
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(C(C)C)cc2)CC3)o1	CoCoCo_1416504,MCULE-1768215634,EMOLS-id_20598855,PC-id_28101586,ZINC22_19229052,CoCoCo_1416505	437.535	WMFXJMDAHIMTHY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132619
COCc1ccc(C(=O)NCc2nnc3n2CCN(CC[C@@H](C)c2ccccc2)CC3)o1	CoCoCo_1346427,ZINC22_12244495,CoCoCo_1346429	437.535	XYLAQBSIASZYFA-GOSISDBHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132620
COCc1ccc(C(=O)NCc2nnc3n2CCN(CC[C@H](C)c2ccccc2)CC3)o1	CoCoCo_1346430,CoCoCo_1346428,ZINC22_12244496	437.535	XYLAQBSIASZYFA-SFHVURJKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132621
COCc1ccc(o1)C(=O)NCc1nnc2CCN(CCC(C)c3ccccc3)CCn12	ChEMBL-DNDi_CHEMBL38821582,PC-id_45205319,MCULE-6854712505,EMOLS-id_20551885	437.535	XYLAQBSIASZYFA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132622
O=C(N1CCC(CC1)C)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_42854976	437.535	XZPZZTSKMZMROF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132623
O=C(N1CCC(CC1)C)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)C	PC-id_46159892	437.535	LSRLTRQGJUHHSC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132624
O=C(N1CCCCC1)C(NC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_42855011	437.535	SPIZVKIIDOWVAF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132625
O=C(NC1CC1)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)CC	PC-id_42855112	437.535	NPDIEHUTBIVPEJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-132626
O=C(NC1CC1)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)CC(C)C	PC-id_46049904	437.535	MPSDKOLSBBLZIQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-132627
O=C(NC1CCCCC1)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)C	PC-id_46159957	437.535	RUJWXQHFIPTSBL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132628
O=C(NC(C)C)C1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049476	437.535	CQPARWKUOXTZNF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132629
O=C(N(CC)C)C1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049504	437.535	YDGQGIUJGIBKHM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132630
O=C(NCC(C)C)C1N(CCC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049861	437.535	LADHBIRCQOKVEF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132631
O=C(NC(CC)C)C1N(CCC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049863	437.535	XXSSJKRPJXCYHZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132632
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1nc(sc1)c1ccccc1)C#N	PC-id_55393124	437.535	YRVHSKPTOWNLMV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132633
CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2nnc3n2CCCCC3)cc1	MCULE-3543766241,EMOLS-id_16763338,ZINC22_12788889,PC-id_25512516,CoCoCo_3081866	437.536	KEGZOSXSIKPUPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132634
O/C(=CSc1nnc2n1CCCCC2)/NC(=O)c1ccc(cc1)S(=O)(=O)N(C)C	CoCoCo_3081867,CoCoCo_3081870	437.536	RIHUWDNXWMYPHZ-VBKFSLOCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132635
O/C(=C/Sc1nnc2n1CCCCC2)/NC(=O)c1ccc(cc1)S(=O)(=O)N(C)C	CoCoCo_3081868,CoCoCo_3081869	437.536	RIHUWDNXWMYPHZ-FOWTUZBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132636
CCn1cc(CN(C)C(=O)CC2CCc3nn(Cc4cccnc4)c(=O)n3CC2)c(C)n1	MCULE-3347925316,EMOLS-id_207877286	437.538	PVZRRNGEGSXAOB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-132637
CCN(Cc1cnn(CC)c1)C(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1	MCULE-9185932878,EMOLS-id_207877289	437.538	CMHXZPKFZQJWEI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-132638
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)/C=CCCNS(=O)(=O)c1ccccc1	PC-id_139755197	437.551	UVBFSOSYWHGHMI-CLFYSBASSA-N	00000010100000110110000000000010000000000000000000000000	31-01-132639
Fc1ccc(cc1)N1CC[NH+](CC1)CCCN1CC[C@@H](c2c(S1(=O)=O)ccn2C)O	GLL_PC-id_9910903	437.551	BUAYOOUTUWGYMH-IBGZPJMESA-O	00000000100010110101100000000010000000000000000000000000	31-01-132640
Fc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_42933526,MCULE-1219055372,EMOLS-id_24012736	437.551	JRUSIUZICURKEU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132641
O=C(Nc1nc2c(s1)CCCCC2)C1CCN(S(=O)(=O)c2ccccc2F)CC1	CoCoCo_4546156,MCULE-3565234075,ZINC22_14554349,EMOLS-id_27383244,PC-id_26158101	437.551	HWQVSDITKLBEQZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132642
O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	PC-id_25541316,CoCoCo_4546224,ZINC22_12829151	437.551	JRUSIUZICURKEU-AWEZNQCLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132643
O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC22_12829150,PC-id_25541315,CoCoCo_4546223	437.551	JRUSIUZICURKEU-CQSZACIVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132644
OC(=O)CC1CCCCc2c1c(Cc1ccccc1S(=O)(=O)c1ccccc1)c([nH]2)C	PC-id_68605292,SCHEMBL3343864	437.551	PVIUBRFTUVZRMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132645
OC(=O)Cn1c(C)c(c2c1CCCCC2)Cc1ccccc1S(=O)(=O)c1ccccc1	SCHEMBL13417408,PC-id_58564129	437.551	UCPQMSZWCLSUGG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132646
S(=O)(=O)(NC/C=C/Cc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2)c1ccccc1	PC-id_10026093	437.551	RMLZKEUYJQKEML-BQYQJAHWSA-N	00000010100000110110000000000010000000000000000000000000	31-01-132647
S(=O)(=O)(NCC=CCc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2)c1ccccc1	PC-id_10320882	437.551	RMLZKEUYJQKEML-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-132648
CC1(C)[C@H]2CC=C(CN3CCc4nnc(CNC(=O)Cc5cccc(F)c5)n4CC3)[C@@H]1C2	CoCoCo_1252801,EMOLS-id_25997593,MCULE-9246201504,CoCoCo_1252802,ZINC22_11978385,PC-id_42328813	437.553	VLZRFEUFZZLGFV-FPOVZHCZSA-N	00001000100011110101001000000010000000000000000000000000	31-01-132649
CC(=C)[C@@H]1CCC(=CC1)CN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccc(cc1)F	CoCoCo_1355704,CoCoCo_1355706	437.553	RQOVFIPYXXYVLS-FQEVSTJZSA-N	00000000100011110101000000000010000000000000000000000000	31-01-132650
CC(=C)[C@H]1CCC(=CC1)CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1	PC-id_42500371,CoCoCo_1355703,EMOLS-id_26004979,MCULE-3687081962,CoCoCo_1355705,ZINC22_12280599	437.553	RQOVFIPYXXYVLS-HXUWFJFHSA-N	00000000100011110101000000000010000000000000000000000000	31-01-132651
CC(=C)[C@H]1CCC(=CC1)CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1	ZINC22_14999008,PC-id_26354756,CoCoCo_1403306,CoCoCo_1403304,EMOLS-id_26008299,MCULE-1143088743	437.553	LQEMIEQIXKVDNP-OAQYLSRUSA-N	00000000100011110101000000000010000000000000000000000000	31-01-132652
Fc1cc(CC(=O)NCc2n3CCN(CC4=CCC5C(C4C5)(C)C)CCc3nn2)ccc1	PC-id_74843653	437.553	VLZRFEUFZZLGFV-UHFFFAOYSA-N	00001000100011110101001000000010000000000000000000000000	31-01-132653
Fc1cc(CC(=O)NCc2n3CCN(CC4=CCC(CC4)C(=C)C)CCc3nn2)ccc1	PC-id_74501279	437.553	LQEMIEQIXKVDNP-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-132654
Fc1ccc(C(=O)NCCc2n3CCN(CC4=CCC(CC4)C(=C)C)CCc3nn2)cc1	PC-id_74808156	437.553	RQOVFIPYXXYVLS-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-132655
O=C(Cc1cccc(c1)F)NCc1nnc2n1CCN(CC2)CC1=CC[C@@H]2C[C@H]1C2(C)C	CoCoCo_1252799,CoCoCo_1252800	437.553	VLZRFEUFZZLGFV-TZIWHRDSSA-N	00001000100011110101001000000010000000000000000000000000	31-01-132656
O=C(Cc1cccc(c1)F)NCc1nnc2n1CCN(CC2)CC1=CC[C@@H](CC1)C(=C)C	CoCoCo_1403307,CoCoCo_1403305	437.553	LQEMIEQIXKVDNP-NRFANRHFSA-N	00000000100011110101000000000010000000000000000000000000	31-01-132657
c1(c2CCCCCc2sc1NCc1cccnc1)C(=O)Nc1c(OC)ccc(OC)c1	BAS-03715742,CoCoCo_306090,PC-id_1166928,EMOLS-id_1439647,ZINC22_920929,MCULE-1415617341	437.554	ZWHNFCCLXDJLEJ-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-132658
CCOC(=O)c1c(N/C=C/2C(=NN(C2=O)c2ccc(cc2)C)C)sc2c1CCCCC2	PC-id_5903158,CoCoCo_6876915	437.554	RVEYWVSGAXSZJH-XMHGGMMESA-N	00000011100000110101100000000010000000000000000000000000	31-01-132659
CCOC(=O)c1c(N/C=C/C(=NN(C2=O)c2ccc(cc2)C)C)sc2c1CCCCC2	ZINC22_8387476,CoCoCo_6876914,EMOLS-id_3738298,SPECS-id_AE-848/13008269,PC-id_9500740,STOCK3S-06393,TOSLab_2161	437.554	RVEYWVSGAXSZJH-RGEXLXHISA-N	00000011100000110101100000000010000000000000000000000000	31-01-132660
CCOC(=O)c1c(sc2c1CCCCC2)/N=C/c1c([nH]n(c1=O)c1ccc(cc1)C)C	PC-id_135401610	437.554	IMBSEAOJKVCLOP-AFUMVMLFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132661
COc1cccc(CNC(=O)c2nc3CCN(Cc4cccc(OC)c4)CCc3s2)c1	EMOLS-id_313791800,ZINC22_1203820097	437.554	CQRGMLJBERIJFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132662
COc1ccc(CNC(=O)c2nc3CCN(Cc4cccc(OC)c4)CCc3s2)cc1	EMOLS-id_313791543,ZINC22_1203821119	437.554	NNOUAUCARQFAHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132663
N1(c2ccc(cc2)C)C(=O)C(=CNc2sc3c(CCCCC3)c2C(=O)OCC)C(=N1)C	MCULE-7050866365,PC-id_6801597	437.554	RVEYWVSGAXSZJH-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-132664
s1c2c(CCCCC2)c(c1NCc1ncccc1)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_3644741	437.554	RBRKAHKQQPZAIF-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-132665
s1c2CCCCCCc2cc1C(=O)OCC(=O)NC(c1n(ccn1)C)c1ccccc1	PC-id_24593817	437.554	LYOAGAMXBNORAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132666
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)OCCO)CCn12	EMOLS-id_20449997,MCULE-7833509274,PC-id_45181960	437.556	QGLYNNBOXGLWCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132667
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3OC)OC)CCn12	EMOLS-id_20580263,ChEMBL-DNDi_CHEMBL45662795,PC-id_45211940,MCULE-3937516897	437.556	UTANVYQHAYXUJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132668
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3c(cccc3OC)OC)CCn12	MCULE-8790200106,PC-id_45191147,EMOLS-id_20489629	437.556	VQUNYEPMXJEMPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132669
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(c(OC)c3)OC)CCn12	ChEMBL-DNDi_CHEMBL18631528,PC-id_45181455,EMOLS-id_20447811,MCULE-1693196497	437.556	WKNJKKABQQEAKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132670
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cccc(OC)c3OC)CCn12	ChEMBL-DNDi_CHEMBL96431086,PC-id_45250955,MCULE-1644536752,EMOLS-id_20742053	437.556	LJXBPNYBYMJVJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132671
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cccc(OCC)c3O)CCn12	EMOLS-id_20423877,PC-id_45175945,MCULE-3557542120	437.556	HMCNSWQLKSTIGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132672
CCNC(=NCc1ccc(cc1)N1CCCC1=O)NCCCc1nnc2n1CCCCC2	PC-id_111413052	437.581	SLDVWHZIPPGNMM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-132743
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cc(OC)ccc3OC)CCn12	MCULE-6299792766,PC-id_45222225,EMOLS-id_20623879,ChEMBL-DNDi_CHEMBL57120578	437.556	SIBXKMDEJZXJFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132673
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cc(OC)cc(OC)c3)CCn12	PC-id_45231069,MCULE-2684542623,EMOLS-id_20660831	437.556	VKKRYYGUQHXWEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132674
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(OCCO)cc1)CC2	CoCoCo_1200316,ZINC22_14881620,CoCoCo_1200315	437.556	QGLYNNBOXGLWCZ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132675
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(OCCO)cc1)CC2	ZINC22_14881621,CoCoCo_1200318,CoCoCo_1200317	437.556	QGLYNNBOXGLWCZ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-132676
CCOc1cccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c1O	CoCoCo_1163948,ZINC22_19744958,PC-id_28312832,CoCoCo_1163947	437.556	HMCNSWQLKSTIGA-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132677
CCOc1cccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c1O	ZINC22_19744960,PC-id_28312833,CoCoCo_1163945,CoCoCo_1163946	437.556	HMCNSWQLKSTIGA-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132678
COc1cccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c1OC	ZINC22_15068204,CoCoCo_1635194,CoCoCo_1635193	437.556	LJXBPNYBYMJVJH-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132679
COc1cccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c1OC	ZINC22_15068206,CoCoCo_1635191,CoCoCo_1635192	437.556	LJXBPNYBYMJVJH-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132680
COc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1OC	CoCoCo_1197291,ZINC22_14880516,CoCoCo_1197292	437.556	WKNJKKABQQEAKZ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132681
COc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1OC	CoCoCo_1197293,ZINC22_14880514,CoCoCo_1197294	437.556	WKNJKKABQQEAKZ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-132682
COc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c(OC)c1	CoCoCo_1388798,CoCoCo_1388799,ZINC22_14993403	437.556	UTANVYQHAYXUJC-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-132683
COc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c(OC)c1	ZINC22_14993405,CoCoCo_1388796,CoCoCo_1388797	437.556	UTANVYQHAYXUJC-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132684
COc1cccc(OC)c1CN1CCc2nnc([C@H](NS(=O)(=O)C)C(C)C)n2CC1	CoCoCo_1256304,CoCoCo_1256305,PC-id_42342147,ZINC22_11997294	437.556	VQUNYEPMXJEMPF-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132685
COc1cccc(OC)c1CN1CCc2nnc([C@@H](NS(=O)(=O)C)C(C)C)n2CC1	ZINC22_11997292,PC-id_42342143,CoCoCo_1256307,CoCoCo_1256306	437.556	VQUNYEPMXJEMPF-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-132686
COc1cc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc(OC)c1	ZINC22_12279901,CoCoCo_1510555,CoCoCo_1510554	437.556	VKKRYYGUQHXWEQ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-132687
COc1cc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc(OC)c1	ZINC22_12279902,CoCoCo_1510553,CoCoCo_1510552	437.556	VKKRYYGUQHXWEQ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132688
COc1ccc(OC)c(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	CoCoCo_1453816,ZINC22_14965398,CoCoCo_1453817	437.556	SIBXKMDEJZXJFM-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132689
COc1ccc(OC)c(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	ZINC22_14965394,CoCoCo_1453818,CoCoCo_1453819	437.556	SIBXKMDEJZXJFM-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-132690
S(=O)(=O)(NC(c1n2CCN(CCc2nn1)Cc1cc(OCC)c(O)cc1)C(C)C)C	PC-id_56855147	437.556	GQDGYOMLIRJULM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132691
O=C(/C=C/c1ccccc1OCc1csc(n1)C)NCCc1nnc2n1CCCCC2	PC-id_98687141	437.558	USQANZWXXLCSBS-ZHACJKMWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132692
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)c1ncc(cc1)C#N	PC-id_46523735	437.558	RXXPOQNHSVQQAH-UHFFFAOYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-132693
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(n(nc1)c1ncccc1)C(C)C	PC-id_43070005	437.558	FCELDLBVFBSMLF-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-132694
s1cc(nc1C)COc1c(C=CC(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_55552765	437.558	USQANZWXXLCSBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132695
S(c1n2CCCCCc2nn1)CC(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CC	PC-id_73253152	437.56	JRADUCAMRGHUJW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-132696
Fc1cccc(c1)CC1CCCCc2c1[nH]nc2/C=C/S(=O)N[C@@H](c1ccccc1)C	PC-id_143431286	437.573	ZYVKJSUKEPURQG-GJCYMTORSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132697
CC1CCC(CC1)NCCCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_10113985,SCHEMBL8258281	437.574	DNPYZWPTMWQYGI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-132698
CC1CCC(CC1)NCCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_21953029,SCHEMBL6093980	437.574	PFGLZLNWXHJEDY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-132699
CC(C)C(C1CC=C(C=C1)C(=O)N1CCCOCC=CC=CC(=C)c2c(CC1)cn[nH]2)O	PC-id_89555843	437.574	JFGCLLRCUSARAX-UHFFFAOYSA-N	00000000100011000111000000000010000000000000000000000000	31-01-132700
CCCN(CC1CC1)CCCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_69662732,SCHEMBL6095454	437.574	IQNICSXHKARPMB-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-132701
CCCN(CC1CC1)CCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_69662844,SCHEMBL6095781	437.574	GPEJAQQSLAVOMQ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-132702
OC(C1CC=C(C=C1)C(=O)N1CCCOC/C=CC=C/C(=C)c2c(CC1)cn[nH]2)C(C)C	SCHEMBL14934320	437.574	JFGCLLRCUSARAX-VXWIUBPCSA-N	00000000100011000111000000000010000000000000000000000000	31-01-132703
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1	MCULE-1238786612,PC-id_41508651,EMOLS-id_24966421,ZINC22_10461040,CoCoCo_4194765	437.576	QLTMVRCYWZRBPL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-132704
CCC(C)N1CC(C(OCc2cn(CCCC1=O)nn2)CN(C)C(=O)OC(C)(C)C)C	SCHEMBL17487114,PC-id_90998732	437.576	RUAGIOQZCNAYNG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132705
CCC(C)N1CC(C(OCc2cnnn2CCCC1=O)CN(C)C(=O)OC(C)(C)C)C	PC-id_91281362	437.576	XOWSKAVXUYZFCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132706
S(=O)(=O)(N1CCCN(CC1)C(=O)c1sc2c(CCCCC2)c1)c1c(onc1C)C	PC-id_41362332	437.576	LPODIRXHXCQISC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132707
CCNC(=NCc1nnc2n1CCCCC2)N1CC2C(C1)OCCN2Cc1ccccc1	PC-id_109774431	437.581	MHMWVOAUKKQRFE-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-132744
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(cc3)C#CC(C)(C)O)CCn12	MCULE-9199308194,PC-id_45221656,EMOLS-id_232756902,ChEMBL-DNDi_CHEMBL56418994	437.578	GZGSVBUULGKXJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132708
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(CC(=Cc3ccccc3)C)CCn12	PC-id_75100400,MCULE-3060088477	437.578	JHBSBNRVBMTBIR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132709
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(cc3)C#CC(C)(C)O)CCn12	EMOLS-id_232724015,MCULE-7875828246,PC-id_45929919	437.578	BPJQNGGIPXDQBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132710
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCCCN1CCCCCC1	CoCoCo_2544550,PC-id_20964732	437.578	JEYADIAOIFWLFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132711
C/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)[C@@H]1COCC1	CoCoCo_1366616,CoCoCo_1366618	437.578	JHBSBNRVBMTBIR-DWRDIWGESA-N	00000010100000110101000000000010000000000000000000000000	31-01-132712
C/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)[C@H]1COCC1	CoCoCo_1366620,CoCoCo_1366622	437.578	JHBSBNRVBMTBIR-JIUSNDFGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132713
C/C(=Cc1ccccc1)/CN1CCc2nnc([C@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	CoCoCo_1366617,ZINC22_12283718,CoCoCo_1366619	437.578	JHBSBNRVBMTBIR-YNLHYXARSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132714
C/C(=Cc1ccccc1)/CN1CCc2nnc([C@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	ZINC22_12283715,CoCoCo_1366621,CoCoCo_1366623	437.578	JHBSBNRVBMTBIR-WNUHPYAWSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132715
C/C(=Cc1ccccc1)/CN1CCc2nnc([C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	ZINC22_12283716	437.578	JHBSBNRVBMTBIR-GWNIJSOBSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132716
C/C(=Cc1ccccc1)/CN1CCc2nnc([C@@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	ZINC22_12283719	437.578	JHBSBNRVBMTBIR-VKMGYPPFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132717
CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=CCc1ccccc1)C	PC-id_87208811,SCHEMBL1175203	437.578	XQAWIHJEGYCGEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132718
CC(C)C(NC(=O)C1CCOC1)c1nnc2CCN(C/C(=C/c3ccccc3)/C)CCn12	EMOLS-id_44852833,PC-id_45208502	437.578	JHBSBNRVBMTBIR-XDJHFCHBSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132719
C=CCOc1ccccc1CN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1	CoCoCo_1558125,PC-id_25365846,ZINC22_20364102,CoCoCo_1558126,MCULE-5615983578,EMOLS-id_20691909	437.578	XBJREJQIHMXSBG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132720
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2)C(C)C	ZINC22_12034441	437.578	BPJQNGGIPXDQBH-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132721
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2)C(C)C	ZINC22_12034442	437.578	BPJQNGGIPXDQBH-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132722
CCCSc1sc2c(n1)N(Cc1ccccc1)C(=O)CN(C2=O)Cc1ccccc1	PC-id_142739088	437.578	BPUCWRYWNMOTEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132723
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	CoCoCo_1450148,ZINC22_14963575,CoCoCo_1450147	437.578	GZGSVBUULGKXJK-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132724
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC22_14963579,CoCoCo_1450149,CoCoCo_1450150	437.578	GZGSVBUULGKXJK-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132725
CN(C1CCCCC1)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C	EMOLS-id_32633220,MCULE-4657979823,PC-id_53086394	437.578	CZSPQUZTDRHKJS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132726
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=CCc1ccccc1	PC-id_66932121,SCHEMBL1175205	437.578	XQAWIHJEGYCGEV-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132727
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)/C=C/Cc1ccccc1	SCHEMBL1175198,PC-id_57635326	437.578	XQAWIHJEGYCGEV-UBLKFNIESA-N	00000000100000110101000000000010000000000000000000000000	31-01-132728
COc1ccccc1/C=CCN1CCc2n(CC1)c(nn2)CCNC(=O)C1CCCCC1	CoCoCo_1442905,CoCoCo_1442903	437.578	CUVHIPXKBHNWAN-XFFZJAGNSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132729
COc1ccccc1/C=C/CN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1	CoCoCo_1442904,CoCoCo_1442906,ZINC22_14959888,PC-id_26321682,EMOLS-id_26010915	437.578	CUVHIPXKBHNWAN-YRNVUSSQSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132730
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)CC=Cc1ccccc1OC	MCULE-9808931393,PC-id_74496171	437.578	CUVHIPXKBHNWAN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132731
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ccc(cc1)C(=O)C)C#N	PC-id_40821769	437.578	JNXCMBFULDUMSS-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-132732
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCc2n1)c1nc(n(c1)C)C	PC-id_56227199	437.579	HIBBGFHONXTOBA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-132733
S(=O)(=O)(N1CC(CCC1)C(=O)NCCc1n2CCCCCc2nn1)c1sccc1	PC-id_55534924	437.579	BKFQXGFZAWJNKZ-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-132734
S(=O)(=O)(N1CCN(CC1)Cn1nc2n(CCCCC2)c1=S)c1ccc(OC)cc1	PC-id_27073120	437.579	ORADAVOQHNJDKG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132735
S(=O)(=O)(NC(CCSC)C(=O)NCc1n2CCCCCc2nn1)c1ccccc1	PC-id_55452769	437.579	MCEHWUOTSKMKNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132736
Cc1ccc(c2n[nH]c(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2)cc1	CoCoCo_4175882,ZINC22_9788857,CoCoCo_4175884,CoCoCo_4175878,CoCoCo_4175880,PC-id_41213796	437.581	ODUQVEBZACWQIX-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132737
Cc1ccc(c2n[nH]c(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2)cc1	ZINC22_9788858,CoCoCo_4175881,CoCoCo_4175883,PC-id_41213797,CoCoCo_4175879,CoCoCo_4175885	437.581	ODUQVEBZACWQIX-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132738
Cc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1c1ccccc1	ZINC22_9727905,CoCoCo_4173898,PC-id_41189017	437.581	OVENGZLPFPZSQP-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132739
Cc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1c1ccccc1	ZINC22_9727908,PC-id_41189019,CoCoCo_4173899	437.581	OVENGZLPFPZSQP-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132740
CCc1ccc(c2n[nH]c(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)n2)cc1	ZINC22_13146177,PC-id_4410813,MCULE-1394838800,CoCoCo_3149846,CoCoCo_3149847,EMOLS-id_43793029,CoCoCo_3149848,CoCoCo_3149849	437.581	HSYGAQOHNFHHCB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132741
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccccc1	CoCoCo_2844366,EMOLS-id_3272754,PC-id_2089755,ZINC22_2627426,MCULE-2270805314	437.581	SHFHRBHDFFOYSW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132742
CCNC(=NCc1nnc2n1CCCCC2)NCC1CN(C(=O)C1)CCc1ccccc1	PC-id_109735891	437.581	XOCDQMLQPUNOQX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132745
CN=C(N1CC2C(C1)OCCN2Cc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_109774443	437.581	PJKAUJFKSRJPKN-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-132746
CN=C(NCC1CN(C(=O)C1)CCc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_109735909	437.581	QJQAZJCRRJURAW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132747
N#Cc1c(NC(=O)C(Sc2nnc(n2c2ccccc2)C)C)sc2c1CCCCC2	PC-id_16328731,MCULE-8039870347,EMOLS-id_11765039	437.581	OVENGZLPFPZSQP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132748
N#Cc1c(NC(=O)C(Sc2nnc([nH]2)c2ccc(cc2)C)C)sc2c1CCCCC2	PC-id_16332891,MCULE-9822914757,EMOLS-id_11771283	437.581	ODUQVEBZACWQIX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132749
O=C(NCCc1n2CCCCCc2nn1)c1c2c(n(nc2C)C(C)(C)C)nc(C(C)C)c1	PC-id_55790638	437.581	YOIBROVOFDJFSD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-132750
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2c(cc(cc2)C)C)cnn1)C#N	PC-id_24372376	437.581	CGSJWODNUBERIW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132751
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2ccc(cc2)C)c(nn1)C)C#N	PC-id_17266900	437.581	PQRVIPVZCGFRLV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132752
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2cc(ccc2)C)c(nn1)C)C#N	PC-id_41129330	437.581	FNZSKWYLTLCSQG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132753
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2c(cccc2)C)c(nn1)C)C#N	PC-id_41425451	437.581	XNOWSXSPRPJXKQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132754
s1c2CCCCCc2c(c1NC(=O)CSc1n(Cc2ccccc2)c(nn1)C)C#N	PC-id_35791556	437.581	UPRYNIODNMWSMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132755
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)C)C#N	PC-id_19729782	437.581	LGNJYZUKQAVYRS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132756
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)C)C#N	PC-id_19729974	437.581	RPTBEIGHHQSODS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132757
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)C)C#N	PC-id_19730150	437.581	SHIQOMSATFZKOX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132758
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)C)C#N	PC-id_20123545	437.581	OCZBMBVLZFWZPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132759
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c2ccccc2)c(nn1)C)C#N	PC-id_19644168	437.581	KXQUDLCBQFNEQY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132760
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccccc1)C)C#N	PC-id_19727919	437.581	KGXFEMFXNLTOAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132761
c1(NC(=O)CCCC(=O)O)sc2c(CCCCCCCCCC2)c1C(=O)OCCC	ZINC22_8454257,MCULE-5740642780,TIMTEC360741,EMOLS-id_4123919,PC-id_4055871,SPECS-id_AK-968/40733912,CoCoCo_6816938	437.593	OOBLGBLOMPAVHM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-132762
c1(NC(=O)CCCC(=O)O)sc2c(CCCCCCCCCCC2)c1C(=O)OCC	EMOLS-id_4123917,CoCoCo_6813940,PC-id_4129463,MCULE-4996789661,ZINC22_8455454,SPECS-id_AK-968/41924063,TIMTEC469165	437.593	TYZZTAXXEWCQFE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-132763
c1(NC(=O)C#Cc2ccccc2)sc2c(CCCCCCCCCC2)c1C(=O)OCC	ZINC22_17101636,CoCoCo_6797790,MCULE-1093998783,PC-id_4507473,TIMTEC259707,GD-id_ZINC17101636,EMOLS-id_4123923	437.594	KFJOJQZVIATMTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132764
c1(NC(=O)CC2(CCCCC2)CN2Cc3c(cccc3)C2=O)sc2c(CCCCC2)n1	EMOLS-id_323311926,MCULE-6885424956	437.598	PUXFGZPUXCGRCM-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-132765
COc1ccc(cc1)N(C(=O)C1CCCCc2c1c(C)sc2C)Cc1cnn(c1)CC	PC-id_140052659	437.598	AXZCPPMPDCBENO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132766
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(CC1)C(O)c1ccccc1)C#N	PC-id_46517943	437.598	DOTUSSAAVHPPKJ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-132767
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(OCc2ccccc2)CC1)C#N	PC-id_55470635	437.598	CBNMDNNBDHAQEB-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-132768
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCC(CC1)C(O)c1ccccc1)C)C#N	PC-id_56099176	437.598	PDTLZWRPUCZLPI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-132769
c1(NC(=S)NNC(=O)c2cc3c(CCCCC3)s2)sc(c(C)c1C(=O)OC)C	EMOLS-id_4123935,CoCoCo_6837297,PC-id_17378691,MCULE-2179917971,TIMTEC105194	437.599	COXRMVATGMNMMI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-132770
c1(NC(=S)NNC(=O)c2ccc(C)s2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3267999,CoCoCo_6799900,TIMTEC522882,MCULE-4163944589,EMOLS-id_4123939	437.599	WGWUMXGDYAGAIU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-132771
c1(NC(=S)NNC(=O)c2csc(C)c2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_6799898,TIMTEC149353,EMOLS-id_4123941,PC-id_3267749,MCULE-6344327582	437.599	FMHNNRZNCJFRRD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-132772
CCCCCCCCCOC(=O)C1CCCCn2c1cc(c2C(=O)c1ccccc1)CC	PC-id_20483686,SCHEMBL11193720	437.614	UZUDTUUHRKKONX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132773
s1c2c(CCCCCC2)c(c1NC(=S)NCCCN1CCCC1=O)C(=O)OCC	PC-id_20167483	437.619	CIKFSHOTSNZJOK-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-132774
O=C(Cn1nc2c(c1)CCCCCC2)NCCCN1CCN(CC1)c1cc(C)ccc1C	CoCoCo_2192351,PC-id_20892504,CoCoCo_2192352	437.621	YLACBZNDLMDHTR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132775
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC[NH+](CC1)CCc1ccccc1)C#N	PC-id_34943915	437.621	HTQWFQVUHCWHND-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-132776
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1c(c(ccc1)C)C)C#N	PC-id_27159040	437.621	KNYBJAJLVWIKPK-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-132777
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+](Cc1c(N2CCCC2)cccc1)C)C)C#N	PC-id_25363452	437.621	WUJXZAKIYFAWPO-GOSISDBHSA-O	00000010100000110100100000000010000000000000000000000000	31-01-132778
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+](Cc1c(N2CCCC2)cccc1)C)C)C#N	PC-id_25363454	437.621	WUJXZAKIYFAWPO-SFHVURJKSA-O	00000010100000110100100000000010000000000000000000000000	31-01-132779
s1c2c(CCCCC2)c(c1NC(=O)C([NH+](Cc1c(N2CCCC2)cccc1)C)C)C#N	PC-id_74445095	437.621	WUJXZAKIYFAWPO-UHFFFAOYSA-O	00000010100000110100100000000010000000000000000000000000	31-01-132780
Cc1cc(c(n1CCc1cccs1)C)c1csc(n1)Cc1nnc2n1CCCCC2	CoCoCo_3955374,PC-id_17553531	437.624	FRRRYHQHTFBBEP-UHFFFAOYSA-N	00000000110100000101100000000010000000000000000000000000	31-01-132781
CCNC(=NCc1ccc(cc1)CN1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111393891	437.624	DAPDRJBLTMFDEL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132782
CCNC(=NCc1ccc(cc1)CN1CCCCC1)NCCc1nnc2n1CCCCC2	PC-id_111411443	437.624	FFRKTAOZJUHWBF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132783
CCNC(=NCC1CCCN1Cc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111583490	437.624	RDJCUALFZUFBJJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132784
CCNC(=NCC(c1ccccc1)N1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111326108	437.624	TZGSVEFKAHFWIV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132785
CCNC(=NCCc1nnc2n1CCCCC2)N1CCN(CC1)C(c1ccccc1)CC	PC-id_109545242	437.624	ZWVCZLMHAAFBPS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132786
CCNC(=NCCc1nnc2n1CCCCC2)NC1CCN(C(C1)C)Cc1ccccc1	PC-id_109458952	437.624	WYDCVOBZRFDFJF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132787
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1cccc(c1C)C	PC-id_111238289	437.624	OSXMUVPAIRBKLD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132788
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)Cc1cccc(c1)C	PC-id_111347506	437.624	KDUWHZHLMKVMBL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132789
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCN(C1)c1ccc(cc1)C	PC-id_112083069	437.624	LTUCTHIMNZAKGX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132790
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCN(C1)Cc1ccccc1	PC-id_112077624	437.624	OCOVFNKGGBWNRC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132791
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CC(N(C1)Cc1ccccc1)C	PC-id_109726035	437.624	XWBPHYMGJMBJDJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-132792
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)Cc1ccccc1	PC-id_110986358	437.624	OBTJWGKASDSMPT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132793
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1cccc(c1)N1CCCC1)C	PC-id_109647071	437.624	ZSSGXYWXQMSPAO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-132794
CN=C(NC1CCN(CC1)Cc1cccc(c1)C)NCCCc1nnc2n1CCCCC2	PC-id_112076686	437.624	UKANPYJYKYDNDN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132795
CN=C(NC1CCN(CC1)Cc1ccccc1C)NCCCc1nnc2n1CCCCC2	PC-id_112076750	437.624	AWLOOBBHDHAZCG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132796
CN=C(NC1CCN(CC1)C(c1ccccc1)C)NCCCc1nnc2n1CCCCC2	PC-id_112080107	437.624	ZCKMYCYCZPANIT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132797
CN=C(NC1CCN(C(C1)C)Cc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_109457924	437.624	CDOPZBRUWMFRGR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132798
CN=C(NCc1ccc(cc1)CN1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111411887	437.624	JNQXKCFEDZFQNB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132799
CN=C(N(Cc1ccc(cc1)N1CCCCC1)C)NCCCc1nnc2n1CCCCC2	PC-id_111414532	437.624	GCXCRJJXPACKOC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132800
CC(C)CN1C[C@H](N=C(c2nn(cc12)CC(C)C)SCCC(=O)NN)CCCCN	BindingDB_PC-id_134157064,PC-id_134157064	437.646	UJJHGVGOUCOPLX-QGZVFWFLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-132801
NCCCC[C@H]1CN(CC(C)C)c2c(C(=N1)SCCC(=O)NN)nn(c2)CC(C)C	SCHEMBL3466567,PC-id_46841114	437.646	UJJHGVGOUCOPLX-KRWDZBQOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-132802
S(C1=NC(CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCN)CCC(=O)NN	PC-id_75217902	437.646	UJJHGVGOUCOPLX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-132803
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCN(CC1)CCC)C(=O)OCC	PC-id_20180219	437.662	NWXYFGSVNLXJDD-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-132804
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCN(CC1)C(C)C)C(=O)OCC	PC-id_20180299	437.662	RIXSPFMPPPKTEX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-132805
CN(CCN1C(=C)CCc2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Br)C	SCHEMBL16363505,PC-id_117793619	437.761	RQOCPOQMTCDBFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132806
Clc1cc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)ccc1OC(F)F	PC-id_19523714	437.791	WNZNAUBTZKGHOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132807
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1cc(F)c(cc1Cl)F)C	SCHEMBL19702834	437.867	ATTIQMIRQFNIQH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-132808
O=C(CNC(=O)c1ccc(cc1)Cl)NCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	GD-id_ZINC29405064	437.895	ZAPATUKSEPZOKP-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-132809
Clc1cc(/C=C/2CCCCc3c2[nH]nc3OC(=O)N[C@H](c2ccccc2)CO)ccc1	PC-id_66647655,SCHEMBL300699	437.919	QXJDHNCHWBNVMO-DOIQENQNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132810
Clc1ccc(/C=C/2CCCCc3c2[nH]nc3OC(=O)N[C@H](c2ccccc2)CO)cc1	PC-id_66647484,SCHEMBL300451	437.919	LETXHFBFVJOSOY-TVADFSRQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132811
Clc1ccc(C(=O)Nc2c(C(=O)NCCc3n4CCCCCc4nn3)cccc2)cc1	PC-id_52709934	437.922	OKOHEIUEFZINPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132812
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3c(cccc3F)Cl)CCn12	MCULE-1615317623,EMOLS-id_25611421,PC-id_45205334	437.939	MTVFDCINFSEEGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132813
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2	CoCoCo_1346504,CoCoCo_1346503,ZINC22_20996335	437.939	MTVFDCINFSEEGX-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132814
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2	ZINC22_20996333,CoCoCo_1346505,CoCoCo_1346506	437.939	MTVFDCINFSEEGX-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132815
c1(NC(=O)CCC(=O)Nc2c(OC)cc(c(OC)c2)Cl)sc2c(CCCCC2)n1	EMOLS-id_335076858,MCULE-8231679520	437.94	FFVMCKGWXFBESH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132816
C=CCn1c(=O)/c(=C/c2ccccc2Cl)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3610862,PC-id_2312741	437.945	RWSXHYOLXAFURN-MVPMBRCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132817
C=CCn1c(=O)/c(=Cc2ccccc2Cl)/s/c/1=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3610864	437.945	RWSXHYOLXAFURN-ACBLNMKSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132818
C=CCn1c(=O)/c(=C/c2ccc(cc2)Cl)/s/c/1=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3610872,PC-id_2309266,CoCoCo_3610869,ChEMBL-DNDi_CHEMBL1976392	437.945	PEYAGRSJMVASMD-NZMUFIEBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132819
C=CCn1c(=O)c(=Cc2ccccc2Cl)sc1=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_44488410,MCULE-7556818857,PC-id_4626215	437.945	RWSXHYOLXAFURN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132820
Clc1ccc(SC(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)C)cc1	PC-id_23830386	438.003	VLFAOIWHCCRMAB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132876
C=CCn1c(=O)c(=Cc2ccc(cc2)Cl)sc1=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_44488414,MCULE-5838958739,PC-id_2999335	437.945	PEYAGRSJMVASMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132821
C=CCn1c(=O)/c(=Cc2ccccc2Cl)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	PC-id_2312742,CoCoCo_3610863	437.945	RWSXHYOLXAFURN-VQHCQLCXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132822
C=CCn1c(=O)/c(=C/c2ccccc2Cl)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	PC-id_2312739,ZINC22_3176221,CoCoCo_3610861	437.945	RWSXHYOLXAFURN-QZSVRRALSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132823
C=CCn1c(=O)/c(=Cc2ccc(Cl)cc2)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	ZINC22_104265836	437.945	PEYAGRSJMVASMD-NXNKHYCMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132824
Clc1ccc(/C=c/s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)CC=C)cc1	PC-id_2309269	437.945	PEYAGRSJMVASMD-JWRHMULSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132825
Clc1ccc(C=c2s/c(=C(c3n4CCCCCc4nn3)/C#N)/n(c2=O)CC=C)cc1	PC-id_7039296	437.945	PEYAGRSJMVASMD-SVLDOHDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132826
Clc1ccc(C=c2s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)CC=C)cc1	PC-id_7039297	437.945	PEYAGRSJMVASMD-UUZKQMLZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132827
Cl/C(=Cc1ccccc1)/C[N@@H+]1CCn2c(CC1)nnc2[C@H](NC(=O)c1cccnc1)C	GD-id_ZINC11974553	437.945	PZIBVVQHOFLDKP-LCJWNIEWSA-O	00000000100000111101000000000010000000000000000000000000	31-01-132828
Clc1cc(CC2CCCCc3c2[nH]nc3C(=O)N[C@@H](Cc2ccccc2)CO)ccc1	PC-id_58882516,SCHEMBL176535	437.962	DOJUWYZZERGHKT-QWAKEFERSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132829
Clc1cc(CC2CCCCc3c2[nH]nc3C(=O)N[C@H](Cc2ccccc2)CO)ccc1	PC-id_58882628,SCHEMBL176480	437.962	DOJUWYZZERGHKT-VGAJERRHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132830
Clc1cc(C[C@H]2CCCCc3c2[nH]nc3C(=O)N[C@H](c2ccccc2)COC)ccc1	PC-id_59687156,SCHEMBL14258996	437.962	ZOLWLVKHJNOVPE-KNQAVFIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132831
Clc1cc(C[C@H]2CCCCc3c2[nH]nc3C(=O)N[C@@H](c2ccccc2)COC)ccc1	SCHEMBL14089790,PC-id_59687150	437.962	ZOLWLVKHJNOVPE-DENIHFKCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132832
Clc1cc(C[C@@H]2CCCCc3c2[nH]nc3C(=O)N[C@@H](c2ccccc2)COC)ccc1	SCHEMBL14258995,PC-id_59687155	437.962	ZOLWLVKHJNOVPE-SIKLNZKXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132833
Clc1cc(C[C@@H]2CCCCc3c2[nH]nc3C(=O)N[C@H](c2ccccc2)COC)ccc1	SCHEMBL14258998,PC-id_59687154	437.962	ZOLWLVKHJNOVPE-UGKGYDQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132834
Clc1cc(C[C@H]2CCCCc3[nH]nc(c23)C(=O)N[C@H](COC)c2ccccc2)ccc1	PC-id_25070201	437.962	ANOFLNQNHQOPJQ-DENIHFKCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132835
Clc1cc(C[C@@H]2CCCCc3[nH]nc(c23)C(=O)N[C@H](COC)c2ccccc2)ccc1	PC-id_25070202	437.962	ANOFLNQNHQOPJQ-SIKLNZKXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132836
Clc1cc(C[C@@H]2CCCCc3[nH]nc(c23)C(=O)N[C@@H](COC)c2ccccc2)ccc1	PC-id_25070203	437.962	ANOFLNQNHQOPJQ-UGKGYDQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132837
Clc1cc(C[C@H]2CCCCc3[nH]nc(c23)C(=O)N[C@@H](COC)c2ccccc2)ccc1	PC-id_25070204	437.962	ANOFLNQNHQOPJQ-KNQAVFIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132838
Clc1cc(C[C@H]2CCCCCc3c2[nH]nc3C(=O)NC[C@@H](O)c2ccccc2)ccc1	PC-id_44200776	437.962	WFPSVDWZNRMRNJ-DENIHFKCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132839
Clc1cc(C[C@@H]2CCCCCc3c2[nH]nc3C(=O)NC[C@@H](O)c2ccccc2)ccc1	PC-id_44200777	437.962	WFPSVDWZNRMRNJ-SIKLNZKXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132840
Clc1cc(C[C@@H]2CCCCCc3c2[nH]nc3C(=O)N[C@H](c2ccccc2)CO)ccc1	PC-id_24966139,SCHEMBL13011092	437.962	SRXCKMRWSNCRRB-UGKGYDQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132841
Clc1cc(C[C@H]2CCCCCc3c2[nH]nc3C(=O)N[C@@H](c2ccccc2)CO)ccc1	SCHEMBL13011091,PC-id_24966487	437.962	SRXCKMRWSNCRRB-DENIHFKCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132842
Clc1cc(C[C@@H]2CCCCCc3c2[nH]nc3C(=O)N[C@@H](c2ccccc2)CO)ccc1	SCHEMBL13011101,PC-id_24966488	437.962	SRXCKMRWSNCRRB-SIKLNZKXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132843
Clc1cc(C[C@H]2CCCCCc3c2[nH]nc3C(=O)N[C@H](c2ccccc2)CO)ccc1	SCHEMBL13011110,PC-id_24966486	437.962	SRXCKMRWSNCRRB-KNQAVFIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132844
Clc1cc(Cn2nc(c3c2CCCCC3)C(=O)NC(c2ccccc2)COC)ccc1	PC-id_77634114	437.962	ZPKVRSQXGZQEIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132845
Clc1cc(Cn2nc(c3c2CCCCC3)C(=O)N[C@H](c2ccccc2)COC)ccc1	SCHEMBL4920523,PC-id_69241663	437.962	ZPKVRSQXGZQEIZ-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132846
Clc1cc(Cn2nc(c3c2CCCCCC3)C(=O)N[C@H](c2ccccc2)CO)ccc1	PC-id_25070525	437.962	JNTFTBJTRBIIJG-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132847
Clc1cc(Cn2nc(c3c2CCCCCC3)C(=O)N[C@@H](c2ccccc2)CO)ccc1	PC-id_25070527	437.962	JNTFTBJTRBIIJG-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132848
COC[C@H](c1ccccc1)NC(=O)c1nn(c2c1CCCCC2)Cc1cccc(c1)Cl	PC-id_142701352	437.962	ZPKVRSQXGZQEIZ-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132849
COc1ccc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_21234851,ZINC22_32125153	437.963	SXVAOZTZHZNTLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132850
COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1Cl	ZINC22_32125249,PC-id_20166129	437.963	HHDHFDJRQUXSIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132851
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccccc1Cl)CC2	CoCoCo_1247420,CoCoCo_1247419,PC-id_28957395,ZINC22_20454921	437.965	VRVZJJVBVVSONK-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132852
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccccc1Cl)CC2	PC-id_28957394,CoCoCo_1247417,CoCoCo_1247418,ZINC22_20454919	437.965	VRVZJJVBVVSONK-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132853
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2	PC-id_26277412,CoCoCo_1200819,CoCoCo_1200820,ZINC22_14881759	437.965	NHJHKLDBEFKSIR-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132854
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2	PC-id_26277414,ZINC22_14881760,CoCoCo_1200822,CoCoCo_1200821	437.965	NHJHKLDBEFKSIR-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132855
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2	CoCoCo_1400404,CoCoCo_1400403,ZINC22_14997463	437.965	GCKUVMYEOLEGOO-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132856
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2	CoCoCo_1400405,ZINC22_14997466,CoCoCo_1400406	437.965	GCKUVMYEOLEGOO-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132857
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccccc3Cl)CCn12	MCULE-8535739129,EMOLS-id_20483293,PC-id_45189708	437.965	VRVZJJVBVVSONK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132858
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3cccc(Cl)c3)CCn12	PC-id_45182056,EMOLS-id_20450351,MCULE-8918125122,ChEMBL-DNDi_CHEMBL19039952	437.965	NHJHKLDBEFKSIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132859
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccc(Cl)cc3)CCn12	EMOLS-id_20588029,MCULE-2982335444,PC-id_45213736,ChEMBL-DNDi_CHEMBL47571589	437.965	GCKUVMYEOLEGOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132860
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(CC(=Cc3ccccc3)Cl)CCn12	PC-id_45173585,MCULE-3859481229	437.987	CSKHJVDNWQPQBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132861
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2	CoCoCo_1149859,CoCoCo_1149857,ZINC22_19741397	437.987	CSKHJVDNWQPQBI-BLMOFCDVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132862
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2	CoCoCo_1149863,CoCoCo_1149861,ZINC22_19741399	437.987	CSKHJVDNWQPQBI-LYDJUCFBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132863
CC(C)C(NS(=O)(=O)C)c1nnc2CCN(C/C(=C/c3ccccc3)/Cl)CCn12	EMOLS-id_25989779	437.987	CSKHJVDNWQPQBI-LGMDPLHJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132864
Cl/C(=C/c1ccccc1)/CN1CCn2c(CC1)nnc2[C@@H](C(C)C)NS(=O)(=O)C	CoCoCo_1149856,CoCoCo_1149858	437.987	CSKHJVDNWQPQBI-XEYRCQSKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132865
Cl/C(=C/c1ccccc1)/CN1CCn2c(CC1)nnc2[C@H](C(C)C)NS(=O)(=O)C	CoCoCo_1149860,CoCoCo_1149862	437.987	CSKHJVDNWQPQBI-UMEYKSNOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132866
ClC(=Cc1ccccc1)CN1CCn2c(nnc2CC1)[C@H](NS(=O)(=O)C)C(C)C	PC-id_28310408	437.987	CSKHJVDNWQPQBI-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132867
ClC(=Cc1ccccc1)CN1CCn2c(nnc2CC1)[C@@H](NS(=O)(=O)C)C(C)C	PC-id_28310409	437.987	CSKHJVDNWQPQBI-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-132868
Clc1cc2nc(n(c2cc1)Cc1ccccc1)C(Sc1n2CCCCCc2nn1)C	PC-id_43055110	437.988	HUBNIEFVPSPDOH-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-132869
c1(NC(=O)C(C)Sc2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)OCC	MCULE-1785578976,EMOLS-id_5479863,PC-id_4608560	438.003	AUBQXDFDOTWPTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132870
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)sc2c1CCCCC2	CoCoCo_5021939,ZINC22_9444089,PC-id_41072504	438.003	AUBQXDFDOTWPTE-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132871
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)sc2c1CCCCC2	PC-id_41072503,ZINC22_9444088,CoCoCo_5021938	438.003	AUBQXDFDOTWPTE-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132872
Clc1ccc(SCCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_41272304	438.003	WVLKQNJMIBDRLG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132873
Clc1ccc(SCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_24084299	438.003	LDQVWNVZTDSZDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132874
Clc1ccc(SCCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_23973539	438.003	YPUFFPAFFUQIOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132875
C[C@@H](C1CCCCC1)CC=NC(=O)c1[nH]nc2c1CCCC/C/2=Cc1ccc(cc1)Cl	PC-id_145479766	438.005	IKMUDSMULWXPTA-GMNZDMKFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132877
COCC(C1CC=CC=C1)NC(=C)c1n[nH]c2c1CCCCC2Cc1cc(ccc1)Cl	PC-id_89244633	438.005	VGUUTFQFSUEDFA-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-132878
COC[C@@H](C1CC=CC=C1)NC(=C)c1n[nH]c2c1CCCC[C@@H]2Cc1cccc(c1)Cl	SCHEMBL14089268	438.005	VGUUTFQFSUEDFA-JAMSKMQTSA-N	00000000100011110101000000000010000000000000000000000000	31-01-132879
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)C)cc1	SCHEMBL3309376,PC-id_68590777	438.006	XJWMSQVIWMQDIA-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-132880
Clc1cccc(c1)CC1CCCCc2c1[nH]nc2/C=C/SN[C@H](c1ccccc1)C	PC-id_145479789	438.028	LCDHIFWKGDRTQD-PTULCPQNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132881
CC(C)N(c1ncc(cc1)C(F)(F)F)C(=O)C1C=Cn2c(c(cn2)Br)C#C1	PC-id_164140079	438.03	YVLJARIDPIRBKP-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-132882
C1CCc2nnc(n2CC1)C(=Cc1cc(c(c(c1)Br)O)Br)C#N	EMOLS-id_301217042,PC-id_136577100,MCULE-9803575139	438.117	IGDWHFFQBKWFCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132883
C1CCc2nnc(n2CC1)/C(=Cc1cc(c(c(c1)Br)O)Br)/C#N	PC-id_136908396	438.117	IGDWHFFQBKWFCK-WDZFZDKYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132884
O=Cc1cc2c(n1SI)C=C(C(C=C2)C(C)C)Br	PC-id_145211972	438.122	MJNGLDPEUUKOHE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-132885
CC1=NN2CCC(C(=O)N(C2=C1)C)NC(=O)C3=NC=C4COC(C4=N3)(C)CC(F)(F)F	PC-id_152187372	438.163	VSNITTPCJGCBEH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-132886
Cc1c(cc(cc1)Cc1cc2-c(ccccc2)c1C(=O)O)[C@H]1[C@@H]([C@H]([C@@H](C(O1)CO)O)O)O	PC-id_163960310	438.168	SGVYIXBBSKGRCI-LVCZELDUSA-N	00000010100010110110100000000010000000000000000000000000	31-01-132887
CC1=C(C=CC(=C1)OC(CCNC)C2=CC=CS2)CN3CCCN4C(=CC(=N4)C)C3=O	PC-id_155125988	438.209	ZLMFXBJCLZXYBB-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-132888
CCc1nn(c2c1C(=O)NCCCOCCC2)C[C@@H](C)COC(=O)c1cccc(c1)C#N	PC-id_163900705	438.227	QJPMDPHBANWODP-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132889
c1(N(=O)=O)nn(c(C)c1Br)CC(=O)Nc1sc2c(CCCCC2)c1C#N	PC-id_1111107,MCULE-9946591978,TIMTEC151966,ZINC22_845124,BAS-00924134,CoCoCo_153854,SPECS-id_AK-968/12264138,EMOLS-id_1293951	438.299	FPEYDOQXHPOJBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132890
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C#N	PC-id_3668139	438.311	YCLAMMZTZPZYLN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-132891
Brc1c(NC(=O)NCCc2n3CCCCCc3nn2)cc(OC)c(OC)c1	PC-id_60569792	438.319	ADVBOLGGZVAYTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132892
Clc1cc(C(=O)OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)cnc1Cl	PC-id_55416646	438.328	LXNSUJXRAHWHMI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-132893
Clc1c(N)c(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc(Cl)c1	PC-id_3367570	438.328	JJUPFVQGLSPKGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132894
Clc1c(c2nc(sc2)NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc(Cl)c1	PC-id_36464170	438.331	PDMVQFZWVLYKDR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132895
Clc1c(C(=O)NC(C(C)C)C(=O)NCc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_24620328	438.351	DWILFPXPWZJBNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132897
Clc1c(NC(=O)CCC)c(C(=O)NCCc2n3CCCCCc3nn2)cc(Cl)c1	PC-id_60544008	438.351	GGEQJLNTEAMPLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132898
C=C/C=C(/OC(F)(F)F)CC1CC=Cc2n([C@H]1C)c(nc2CC(=O)OC)C(F)(F)F	SCHEMBL19075414	438.364	NPSCTIXSFOEWOM-VJDUGEDBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-132899
Brc1cc(sc1)c1scc(n1)C(=O)NCc1n2CCCCCc2nn1	PC-id_60550029	438.365	UCXKDTCFAWUYDP-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-132900
Brc1c(n(nc1)C)C(=O)NC(=S)Nc1sc2CCCCCc2c1C#N	CoCoCo_129038,PC-id_1105444	438.365	CAEHEYZPKTYFTP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132901
O=C(CSc1nnc2n1CCCCC2)Nc1nc2ccc(Br)cc2s1	EMOLS-id_3697685,PC-id_16355093,CoCoCo_3081443,ZINC22_9872135,MCULE-6060377770	438.365	AFAKNPIXQWLOPL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-132902
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4461245,MCULE-5949823906	438.367	DWSOSKJXHPPFKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132903
c1(NC(=O)C=Cc2ccc(c(Cl)c2)Cl)sc2c(CCCCCC2)c1C(=O)OC	MCULE-5208826559,PC-id_5052081	438.367	JDYMCINOZIPLMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132904
CCOC(=O)c1c(NC(=O)/C=Cc2ccc(c(c2)Cl)Cl)sc2c1CCCCC2	PC-id_93016937,CoCoCo_5816975	438.367	DWSOSKJXHPPFKZ-LUAWRHEFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132905
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2	EMOLS-id_26497211,ZINC22_2740118,TIMTEC135348,CoCoCo_5816974,SPECS-id_AK-968/12117166,PC-id_6116124	438.367	DWSOSKJXHPPFKZ-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132906
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_5076822	438.367	FFOPCBLGMSEICI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132907
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_6264068	438.367	FFOPCBLGMSEICI-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132908
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(Cl)ccc1	PC-id_3581731	438.367	BGHWSLCYPOHLKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132909
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(Cl)ccc1	PC-id_5866839	438.367	BGHWSLCYPOHLKX-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132910
Clc1c(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_4575669	438.367	KPJXUPXRHNWGFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132911
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_6154287	438.367	KPJXUPXRHNWGFC-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132912
Clc1c(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(Cl)ccc1	PC-id_3308986	438.367	HQSYLGTZAJXRBT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132913
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(Cl)ccc1	PC-id_5789244	438.367	HQSYLGTZAJXRBT-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132914
COC(=O)c1c(NC(=O)/C=Cc2ccc(c(c2)Cl)Cl)sc2c1CCCCCC2	CoCoCo_6803867	438.367	JDYMCINOZIPLMD-LUAWRHEFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132915
COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCCCC2	ZINC22_2734320,TIMTEC234920,EMOLS-id_46452831,PC-id_6258614,CoCoCo_6803866	438.367	JDYMCINOZIPLMD-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132916
c1(c(C)nc(c2c(cccc2Cl)Cl)s1)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323333654,MCULE-9809326618	438.394	JAELKYHTEXLXNW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132917
c1(NC(=O)Cc2csc(c3cccc(Cl)c3Cl)n2)sc2c(CCCCC2)n1	EMOLS-id_320488003,MCULE-6450205236	438.394	LIZAKVNPUJZUMO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132918
c1(NC(=S)NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C#N	STOCK2S-75502,ZINC22_2316469,MCULE-8612314551,CoCoCo_1740192,PC-id_1933063,EMOLS-id_4457195	438.394	NBCRYYQWNYKOHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132919
c1(scc(CC(=O)Nc2sc3c(CCCCC3)n2)n1)c1c(cccc1Cl)Cl	MCULE-2203831743,EMOLS-id_320494401	438.394	UAIMMHSXXONNHB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-132920
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncc2c(n1)C(C)(OC2)CC(F)(F)F	SCHEMBL18366805	438.404	VSNITTPCJGCBEH-RSXQAXDFSA-N	00000010100000100101000000001010000000000000000000000000	31-01-132921
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncc2c(n1)[C@](C)(OC2)CC(F)(F)F	SCHEMBL18372836	438.404	VSNITTPCJGCBEH-KPZWWZAWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-132922
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncc2c(n1)[C@@](C)(OC2)CC(F)(F)F	SCHEMBL18373010	438.404	VSNITTPCJGCBEH-SGTLLEGYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-132923
N#Cc1c(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)sc2c1CCCCC2	ZINC22_3290903,CoCoCo_2945908,MCULE-7330063747,PC-id_2406494,EMOLS-id_3080897	438.42	SANMCWCGDYYRHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132924
FC(F)(F)C(=O)OC1CC(=Cc2oc(CC(CCC#C1)C(=C)C)c(c2)C(=O)OCC)C	PC-id_74821788	438.437	GZKNZBQPRJBJPC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-132925
FC(F)(F)C(=O)O[C@@H]1C/C(=C/c2oc(C[C@H](CCC#C1)C(=C)C)c(c2)C(=O)OCC)/C	PC-id_10993846	438.437	GZKNZBQPRJBJPC-JBAYFQIUSA-N	00000000100000000110000000000010000000000000000000000000	31-01-132926
[Se]1CCSCCSCC[Se]c2sc(=S)sc12	PC-id_10503158	438.437	QVPBURHAFQRGLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132927
c12c(n(cn1)CCCCC(C(=O)O)(Cc1cc(C(F)(F)F)ccc1)C)NC=NCC2O	BindingDB_PC-id_10670656,PC-id_10670656,CHEMBL291059	438.443	OBFAZXJZCQDBEH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-132928
[O-]C(=O)[C@](Cc1cccc(c1)C(F)(F)F)(CCCCn1cnc2c1NC=[NH+]C[C@H]2O)C	GD-id_ZINC13807758	438.443	OBFAZXJZCQDBEH-UZLBHIALSA-N	00000000100000110111000000000010000000000000000000000000	31-01-132929
FC(F)(F)c1ccc(N2CCC(NC(=O)Cn3nc4n(CCCCC4)c3=O)CC2)nc1	PC-id_55721319	438.447	UZNHBLNHTOTFRK-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-132930
FC(F)(F)CCC(=O)N1CCn2c(nnc2CC1)[C@@H](NC(=O)c1ncccc1)C(C)C	CoCoCo_1132853,PC-id_42319788	438.447	JAYKBJUTOUYVEC-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-132931
FC(F)(F)CCC(=O)N1CCn2c(nnc2CC1)[C@H](NC(=O)c1ncccc1)C(C)C	CoCoCo_1132854,PC-id_42319784	438.447	JAYKBJUTOUYVEC-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-132932
FC(F)(F)CCC(=O)N1CCn2c(nnc2CC1)C(NC(=O)c1ncccc1)C(C)C	PC-id_45170598	438.447	JAYKBJUTOUYVEC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-132933
N#Cc1c(F)ccc(c1F)NC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(O)(C)C	SCHEMBL18353401	438.448	DCQRJXFJOZLRJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132934
COc1ccc(C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)c(OC)c1	ZINC22_1565556045,EMOLS-id_313763018	438.452	VUHPBALFADLDPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132935
C1Cn2c(cc(n2)CN2CC(C2)F)NC(=O)C1NC(=O)c1nn(cn1)Cc1ccccc1	PC-id_137052842,SCHEMBL18372973	438.458	PTKNGOKKAOZBIB-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-132936
C1Cn2c(cc(n2)CN2CC(C2)F)NC(=O)[C@H]1NC(=O)c1nn(cn1)Cc1ccccc1	SCHEMBL18372928,PC-id_137052839	438.458	PTKNGOKKAOZBIB-KRWDZBQOSA-N	00001000100000110101000000000010000000000000000000000000	31-01-132937
S(=O)(=O)(NCCNC(=O)Cn1nc2n(CCCCC2)c1=O)c1cc([N+](=O)[O-])ccc1	PC-id_56143564	438.458	ZERZEKQIUJBOMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132938
CCN1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1cccc(c1C(F)(F)F)F	PC-id_144955001	438.462	PSJMTMBLDRDWRX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132939
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N1CCN(CC1)Cc1ccc(F)cc1	PC-id_19527740	438.462	JRIGMPZXLSBMMC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132940
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N1CCN(CC1)Cc1cc(F)ccc1	PC-id_19527735	438.462	UHTYWHLXOTYQIZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132941
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N1CCN(CC1)Cc1c(F)cccc1	PC-id_19527745	438.462	SUHTYGUJISMLJZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-132942
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)C3CCC3)CC2)cc1	PC-id_42368450	438.467	CYSKYHWFPINNHH-UHFFFAOYSA-O	00001000100000110101000000000010000000000000000000000000	31-01-132943
C1CC1CN1CCNc2c(C1=O)n(c(n2)COc1c(cc(cc1)F)F)Cc1ccccc1	PC-id_134805286	438.47	NDZNDBHXQPIMCI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-132944
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1C(=O)OC	PC-id_72423668	438.47	HADOWVYABNVWHK-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-132945
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)OC)ccc1	PC-id_72423699	438.47	DFDPVRUEADVQKY-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-132946
O1C(C(O)C(O)C(O)C1CO)c1c(ccc(c1)Cc1c(c2-c(c1)ccccc2)C(=O)O)C	PC-id_72423646	438.47	SGVYIXBBSKGRCI-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-132947
O1C(C(O)C(O)C(O)C1CO)c1cc(CCc2c(c3-c(c2)ccccc3)C(=O)O)ccc1	PC-id_72423655	438.47	JYZOLNKKVRRNKT-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-132948
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1C(=O)OC	SCHEMBL14590153,PC-id_58786182	438.47	HADOWVYABNVWHK-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-132949
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)OC)ccc1	PC-id_58786215,SCHEMBL14590098	438.47	DFDPVRUEADVQKY-ZXGKGEBGSA-N	00000010100010110110100000000010000000000000000000000000	31-01-132950
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(ccc(c1)Cc1c(c2-c(c1)ccccc2)C(=O)O)C	PC-id_58786159,SCHEMBL14590088	438.47	SGVYIXBBSKGRCI-ZXGKGEBGSA-N	00000010100010110110100000000010000000000000000000000000	31-01-132951
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(CCc2c(c3-c(c2)ccccc3)C(=O)O)ccc1	SCHEMBL14590114,PC-id_58786169	438.47	JYZOLNKKVRRNKT-ZXGKGEBGSA-N	00000010100010110110100000000010000000000000000000000000	31-01-132952
O=C(c1c2-c(c(c1)C(=O)OC)ccccc2)/C=C(/c1c2-c(c(c1)C(=O)OC)ccccc2)C	PC-id_11123026	438.471	IXPVUNVWPBYFCI-SAPNQHFASA-N	00000010100000000110000000000010000000000000000000000000	31-01-132953
OC(C1COc2c(S(=O)(=O)N1)cn(c2C(=O)NC1C=CC(=C(C1)C#N)F)C)C(C)C	SCHEMBL21337154,PC-id_139471161	438.473	MLQLYFFRYVDAAU-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-132955
COC(=O)c1ccc(cc1)C[N@@H+]1CCc2n(CC1)c(nn2)CNC(=O)c1cccc(c1)F	GD-id_ZINC12208918,PC-id_42465365	438.475	KWOGATRQHBJFIA-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132956
c12cc(on1)CNCCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C	MCULE-7117615399,PC-id_137344791,EMOLS-id_317483433	438.478	PBSLPFKOQZLPPS-JLUCKKNBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132957
COc1cc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc(OC)c1O	PC-id_29211334,ZINC22_20908328,EMOLS-id_20531227,CoCoCo_1316257,MCULE-7434578170,CoCoCo_1316258	438.48	LUQBBSYMGQEWNV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132958
O=C(NCCc1n2CCCCCc2nn1)NNC(=O)c1oc(COc2ccccc2)cc1	PC-id_55589556	438.48	RGFITDVEHYBZCD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-132959
COCCNCc1nn2c(c1)NC(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18373027,PC-id_137052850	438.483	USWLCXOQVRNFBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132960
COCCNCc1nn2c(c1)NC(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	PC-id_137052844,SCHEMBL18372976	438.483	USWLCXOQVRNFBM-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132961
OCCNCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	PC-id_145225190	438.483	ALVLZHSJVRRKMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132962
CCC(Oc1cccc(c1)C(F)(F)F)CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_109464590	438.49	OZDZEHSPCYSFHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132963
CCNC(=NCc1ccc(cc1)COCC(F)(F)F)NCc1nnc2n1CCCCC2	PC-id_111856904	438.49	WUFLSGSIHDJOJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132964
CCNC(=NCc1ccc(cc1OCC(F)(F)F)C)NCc1nnc2n1CCCCC2	PC-id_109607764	438.49	XEGZBJKUGBVCGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132965
CCNC(=NCc1ccc(cc1)OCC(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111870925	438.49	CDLJDMBAQJUGII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132966
CCNC(=NCc1ccccc1OC(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111848137	438.49	RWGVFFMFYHCMSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132967
CN=C(NCc1ccc(cc1)COCC(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111857048	438.49	CVXJYAHBJOAYJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132968
CN=C(NCc1ccc(cc1OCC(F)(F)F)C)NCCc1nnc2n1CCCCC2	PC-id_109607508	438.49	ZJZBFMCFMVJBSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132969
CN=C(NCc1ccc(cc1)OCC(F)(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111871305	438.49	GIYKQQSSLDRLCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132970
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N1CCN(CC1)Cc1c(nn(c1)C)C	PC-id_19527750	438.49	YGYQGQLTIGKHIG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-132971
c1(ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCOCC1)/C(=O)N2)F	BindingDB_PC-id_25114266,PC-id_25114266,CHEMBL1277071,SCHEMBL3133130	438.495	GRDPLDYSIKQSRC-JXAWBTAJSA-N	00000010100010100101000000001010000000000000000000000000	31-01-132972
Fc1cc2C(=Cc3[nH]c4CCCN(CCN5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68523677	438.495	GRDPLDYSIKQSRC-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-132973
Fc1cc2C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CCN(C)C)C(=O)Nc2c(c1)CC=O	PC-id_72261522	438.495	NIIRRBOPLCRTCX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-132974
Fc1cc2/C(=C/c3[nH]c4CCCN(C(=O)c4c3C)CCN(C)C)/C(=O)Nc2c(c1)CC=O	SCHEMBL13415591,PC-id_59250045	438.495	NIIRRBOPLCRTCX-AQTBWJFISA-N	00000010100000100100000000001010000000000000000000000000	31-01-132975
Fc1ccc(CC(NC(=O)Cn2nc3n(CCCCC3)c2=O)c2ccc(OC)cc2)cc1	PC-id_56128022	438.495	WKNIQQWFEMACMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132976
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1c2c(oc1)cc(OC)cc2)C#N	PC-id_4556623	438.496	IYBHRLOZIYPBDG-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-132977
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1ccc(cc1)C(=O)OC)C#N	PC-id_24379099	438.496	KYCSLKGDAXDIAS-FMIVXFBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132978
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1ccc(cc1)C(=O)OC)C#N	PC-id_74266699	438.496	KYCSLKGDAXDIAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132979
COc1ccc(F)c(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1	MCULE-2992153815,ZINC22_20453299,CoCoCo_1241044,ChEMBL-DNDi_CHEMBL23843243,PC-id_28956231,CoCoCo_1241045,EMOLS-id_20478803	438.498	STGFTFTYMUABJU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132980
COc1cc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)ccc1F	MCULE-4130753167,ChEMBL-DNDi_CHEMBL26802521,EMOLS-id_20494601,CoCoCo_1263525,ZINC22_20599729,PC-id_29086451,CoCoCo_1263524	438.498	KWLREYUJYJVLOI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-132981
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1oc(Cn2nccc2)cc1)C)C#N	PC-id_56008094	438.499	YYDLSYDWQXJEIX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-132982
CNc1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)CCc1ncc[nH]1	SCHEMBL1770955,PC-id_58256744	438.503	VKEHCKFGRTTYCI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-132983
CCCCc1ccc(cc1)NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(F)(F)F	PC-id_11582973,SCHEMBL4140424	438.506	FNZQBMZXKJMDGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132984
O=C(c1c(sc2c1CCCCC2)NC(=O)C(F)(F)F)Nc1ccc(cc1)C(C)(C)C	PC-id_11669310,SCHEMBL4139983	438.506	GJGFSMMBHWLDPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132985
s1c2CCCCCCc2cc1C(=O)Nc1c(cc(N2CCOCC2)cc1)C(F)(F)F	PC-id_55795001	438.506	AUTQFRFQJHJITL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-132986
s1c2CCCCCCc2cc1C(=O)N(CC(=O)Nc1c(cccc1)C(F)(F)F)CC	PC-id_27833713	438.506	DNOCNVPVTBNYSF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132987
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(c(c2)F)F)sc2c1CCCCC2	PC-id_4177744,MCULE-5257496188	438.511	MBUAYKVXLGMOCD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132988
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1ccc(cc1)OC	MCULE-7685355883,CoCoCo_700173,PC-id_1367109,EMOLS-id_2105399,ZINC22_1212519	438.514	NICOBMZMLFLASZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132989
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1ccccc1OC	PC-id_2869244,CoCoCo_699520,EMOLS-id_2104882,ZINC22_9994921,MCULE-7286903723	438.514	KKLQBRCESWUHCG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132990
COc1cc(ccc1NC(=O)c1cccc(c1C)F)C(=O)N1CCCCc2c1ccs2	PC-id_57077033,SCHEMBL8796741	438.514	ATBHGHGAGIGMJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132991
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C#Cc1c(=O)oc2-c1cc(ccc2)C(C)C	PC-id_101789611	438.514	CKNGIBNHAGZNLK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-132992
s1c2CCCCCc2cc1C(=O)Nc1cc(NC(=O)c2cc(F)ccc2)c(OC)cc1	PC-id_52614042	438.514	GVLHFPCSUCMEJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-132993
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)SC)c2)Cc1ccc(cc1)F	PC-id_20964765,EMOLS-id_16324742,CoCoCo_2544599,MCULE-3639375473	438.518	CIAVKRWHZIPSKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132994
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)SC)c2)Cc1cccc(F)c1	EMOLS-id_32633040,PC-id_53086367,MCULE-2808679159	438.518	JXMZDLSUXNWYPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-132995
COC(=O)c1c(NC(=O)COC(=O)Cn2c(C)csc2=O)sc2c1CCCCC2	CoCoCo_3902241,ZINC22_9255085,MCULE-5289661778,EMOLS-id_3550486,PC-id_16264131	438.518	MDIYQWARGNCTME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-132996
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2ccc(OC)cc2)cc1	PC-id_42441788	438.518	SFJRARFKNIZYAQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132997
Fc1cc(CC(=O)NCc2n3CC[NH+](CCc3nn2)Cc2cc(c(OC)cc2)C)ccc1	PC-id_42434518	438.518	OXXJIJNEVKJWCE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132998
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2c(cc(OC)c(c2)C)C)ccc1	PC-id_42341480	438.518	JLBGTSYRYMYHEH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-132999
O=C(Cc1ccc(cc1)F)NCCc1nnc2n1CC[N@H+](CC2)C/C(=C/c1ccco1)/C	GD-id_ZINC11838679	438.518	WQIIDCPHGNCXEX-OBGWFSINSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133000
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1OC)CC(=O)O	PC-id_52689748	438.518	OBIQKHCHUWNZAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133001
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)ccc(c1)C(=O)O	PC-id_24421462	438.518	HGPFBXQFVGREST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133002
O=C(NC1CCCCC1)C1N(Cc2cc(OC)c(OC)cc2)C(=O)C=C(n2c1cnc2)C	PC-id_71681584	438.519	KILOTOKUSLEBKC-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-133003
O=C(NCCc1nnc2n1CCCCC2)NCCS(=O)(=O)NCc1ccc(F)cc1	PC-id_47042357,ZINC22_58163057,MCULE-9053432248,EMOLS-id_31982132	438.519	NLRCXWCTVOKDCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133004
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1ccccc1)Cc1ccccc1	PC-id_134805634	438.521	QJJOPCHLFYXXQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133005
Cc1c(C#N)c(NC(=O)CSc2nnc3n2CCCCC3)n(c2cccc(F)c2)c1C	CoCoCo_4311457,ZINC22_9872157,MCULE-1094241417,EMOLS-id_11799859,PC-id_16355095	438.521	QBVHEKWSOFQBCA-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-133006
Cc1c(C#N)c(NC(=O)CSc2nnc3n2CCCCC3)n(c2ccc(F)cc2)c1C	EMOLS-id_24141260,MCULE-6150079856,ZINC22_12527960,PC-id_25337065,CoCoCo_4454113	438.521	AFRFGUHSUZPQAU-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-133007
COC(=O)c1sc(NC(=O)CSc2nnc3n2CCCCC3)c(C(=O)OC)c1C	CoCoCo_3081631,PC-id_17391625,ZINC22_13141535,EMOLS-id_15212918,MCULE-4109576602	438.521	RYXGCJLCZMECLV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-133008
c1(c2CCCCCc2n[nH]1)C(=O)N1CCC(C1)c1ncc(c(C)n1)C(=O)N1CCOCC1	PC-id_110088769,BDD-23189281,EMOLS-id_171560482,MCULE-3830604780	438.523	OFKPGVQJENHXNQ-UHFFFAOYSA-N	00000010100010100101100000000010000000000000000000000000	31-01-133009
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3ccc(COC)o3)CCn12	MCULE-9743087567,PC-id_45174465,EMOLS-id_20417468	438.523	NFVAJLAGMCLZKN-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-133010
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(C(=O)C=Cc3ccccn3)CCn12	PC-id_74780464,MCULE-2638715129	438.523	RZSPBKDUQPKOPG-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-133011
Cc1nc([C@@H]2CCN(C(=O)c3[nH]nc4c3CCCCC4)C2)ncc1C(=O)N1CCOCC1	ZINC22_19757701	438.523	OFKPGVQJENHXNQ-MRXNPFEDSA-N	00000010100010100101100000000010000000000000000000000000	31-01-133012
Cc1nc([C@H]2CCN(C(=O)c3[nH]nc4c3CCCCC4)C2)ncc1C(=O)N1CCOCC1	ZINC22_19757703	438.523	OFKPGVQJENHXNQ-INIZCTEOSA-N	00000010100010100101100000000010000000000000000000000000	31-01-133013
Cc1nn(C)c(C)c1CNC(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	EMOLS-id_207876686,MCULE-7051384340	438.523	LIILWAMQWWPSOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133014
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)/C=C/c1ccccn1)CC2	PC-id_42167118,CoCoCo_1247793,ZINC22_11786818	438.523	RZSPBKDUQPKOPG-QDYDYXSASA-N	00000010100000101101000000000010000000000000000000000000	31-01-133015
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)/C=C/c1ccccn1)CC2	PC-id_42167121,ZINC22_11786820,CoCoCo_1247796	438.523	RZSPBKDUQPKOPG-PYIGHKJLSA-N	00000010100000101101000000000010000000000000000000000000	31-01-133016
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)/C=C/c1ccccn1)CC2	PC-id_42167125,ZINC22_11786824,CoCoCo_1247789	438.523	RZSPBKDUQPKOPG-MOENXHEYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-133017
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)/C=C/c1ccccn1)CC2	ZINC22_11786822,CoCoCo_1247791,PC-id_42167122	438.523	RZSPBKDUQPKOPG-WSRXNHEDSA-N	00000010100000101101000000000010000000000000000000000000	31-01-133018
CC(C)C(NC(=O)C1CCOC1)c1nnc2CCN(CCn12)C(=O)/C=C/c1ccccn1	PC-id_45189768,EMOLS-id_25997175	438.523	RZSPBKDUQPKOPG-VOTSOKGWSA-N	00000010100000101101000000000010000000000000000000000000	31-01-133019
CC([C@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1ccccn1)NC(=O)[C@@H]1COCC1)C	CoCoCo_1247790	438.523	RZSPBKDUQPKOPG-GFCSNGQLSA-N	00000010100000101101000000000010000000000000000000000000	31-01-133020
CC([C@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1ccccn1)NC(=O)[C@H]1COCC1)C	CoCoCo_1247792	438.523	RZSPBKDUQPKOPG-KVANESHQSA-N	00000010100000101101000000000010000000000000000000000000	31-01-133021
CC([C@@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1ccccn1)NC(=O)[C@@H]1COCC1)C	CoCoCo_1247794	438.523	RZSPBKDUQPKOPG-SXQBJFQMSA-N	00000010100000101101000000000010000000000000000000000000	31-01-133022
CC([C@@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1ccccn1)NC(=O)[C@H]1COCC1)C	CoCoCo_1247795	438.523	RZSPBKDUQPKOPG-ZVYDBLGCSA-N	00000010100000101101000000000010000000000000000000000000	31-01-133023
CN(Cc1cn(C)nc1C)C(=O)C1CCc2nn(CCOc3ccccc3)c(=O)n2CC1	EMOLS-id_207876689,MCULE-9765227041	438.523	HMGFFSXDJMLPPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133024
COCc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)o1	CoCoCo_1155308,CoCoCo_1155309,PC-id_28311322,ZINC22_19742759	438.523	NFVAJLAGMCLZKN-OAQYLSRUSA-N	00000000101000101101000000000010000000000000000000000000	31-01-133025
C[C@H](CNS(=O)(=O)c1ccccc1)CCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	PC-id_15020270,SCHEMBL9628259	439.567	REZDLNCZZZOBHJ-SFHVURJKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133622
COCc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)o1	CoCoCo_1155310,PC-id_28311321,ZINC22_19742757,CoCoCo_1155311	438.523	NFVAJLAGMCLZKN-NRFANRHFSA-N	00000000101000101101000000000010000000000000000000000000	31-01-133026
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(N(C)C)cc2)CC3)o1	EMOLS-id_20449743,CoCoCo_1199953,ZINC22_14881550,PC-id_26277149,CoCoCo_1199954,ChEMBL-DNDi_CHEMBL18941428,MCULE-4300730196	438.523	PSHWXEDMFMQWSB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133027
O1CCN(CCn2c3c(cc2)cc(NC(=O)Cn2nc4n(CCCCC4)c2=O)cc3)CC1	PC-id_56233955	438.523	CMKBZEDHLFYSGS-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-133028
O=c1n2CCCCCc2nn1CC(=O)Nc1cc2c(n(CC(=O)N(CC)CC)cc2)cc1	PC-id_56272404	438.523	UXXVOCSPZHNZON-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-133029
O=C(N1CCN(CC1)CC)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049592	438.523	VRAWGMLBBKJLAV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133030
O=C(N1CCN(CC1)C)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_46049695	438.523	LECVNEXEURYTJH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133031
O=C(N1CCN(CC1)CC(=O)N1CCc2c1cccc2)Cn1nc2n(CCCCC2)c1=O	PC-id_55868517	438.523	LPDSQDLKAVQFHQ-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-133032
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNc1cnccc1)Cc1ccccc1	PC-id_134806254	438.524	QFNMFJLHIXRJLM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-133033
c1(NC(=O)CCCS(=O)(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)N	ZINC22_9914851,PC-id_41274454,EMOLS-id_32180758,MCULE-9144590825	438.536	ACOXXTNKMAZEQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133034
c1(c2CCCCCc2n[nH]1)C(=O)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F	BDG-23959325,MCULE-1360749277,EMOLS-id_272345,ZINC22_19713111,PC-id_110136694	438.538	LZQIDDILMDPXQH-YADHBBJMSA-N	00000010100000110101000000000110000000000000000000000000	31-01-133035
c1(c2CCCCCc2n[nH]1)C(=O)N1[C@@H]2CCCCC(=O)N[C@H]2C[C@H]1Cc1cccc(F)c1	BDG-23919039,PC-id_110136463,ZINC22_19713938,MCULE-4462155504,EMOLS-id_270815	438.538	YKMDJPWSYYXXQE-BVYCBKJFSA-N	00000010100000110101000000000110000000000000000000000000	31-01-133036
c1(ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCCC3)CCN(CC)CC)/C(=O)N2)F	CHEMBL1277161,PC-id_49840467,SCHEMBL3144455,BindingDB_PC-id_49840467	438.538	BMWHAGVKNLRXNW-CYVLTUHYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-133037
Fc1cc2C(=Cc3[nH]c4CCCCN(CCN(CC)CC)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68527759	438.538	BMWHAGVKNLRXNW-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-133038
c1(c2CCCCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)Nc1ccccc1	PC-id_17377021,TIMTEC67394,MCULE-1143623342,EMOLS-id_4124954	438.539	AZBIFZWXRDSIOE-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-133039
c1(NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCCCC2)c1C(=O)OCCC	EMOLS-id_2388722,CoCoCo_740268,PC-id_1743166,SPECS-id_AK-968/12265045,ChEMBL-DNDi_CHEMBL6106430,ZINC22_2084410,MCULE-7458847913,TIMTEC521027	438.539	WEVKJNJXUVYOMP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133040
c1(NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_4588697,ZINC22_2745547,TIMTEC406617,CoCoCo_1849657,EMOLS-id_4124928,MCULE-4523832510	438.539	QNGQSTZZBLGEMC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133041
O=C(Nc1ccccc1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_6831581,PC-id_27528515,ZINC22_17102458	438.539	AZBIFZWXRDSIOE-DLBZAZTESA-N	00000000100011110100000000000010000000000000000000000000	31-01-133042
CCOC(=O)Cn1c(c(c2c1CCCCC2)Cc1ccccc1C(=O)N1CCOCC1)C	PC-id_90917770	438.559	KRGSIQUZOMENLN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133081
O=C(Nc1ccccc1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_6831582,PC-id_27528518,ZINC22_17102460	438.539	AZBIFZWXRDSIOE-IRXDYDNUSA-N	00000000100011110100000000000010000000000000000000000000	31-01-133043
O=C(Nc1ccccc1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_17102462,PC-id_27528521,CoCoCo_6831583	438.539	AZBIFZWXRDSIOE-IAGOWNOFSA-N	00000000100011110100000000000010000000000000000000000000	31-01-133044
O=C(Nc1ccccc1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_17102464,CoCoCo_6831584,PC-id_27528524	438.539	AZBIFZWXRDSIOE-SJORKVTESA-N	00000000100011110100000000000010000000000000000000000000	31-01-133045
s1c2c(CCCCC2)c(c1NC(=O)c1c(noc1C)c1ccccc1)C(=O)OC(C)C	PC-id_4695423	438.539	SEPPPHUTGYKVAS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133046
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCC(=O)c1c(ccc(c1)C)C)C#N	PC-id_45631596	438.539	LJPPBUUFPZCZGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133047
s1c2CCCCCCc2cc1C(=O)Nc1c(oc2c1cccc2)C(=O)N1CCOCC1	PC-id_60273736	438.539	AGVXOADKRIQSMA-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-133048
c12C(=O)N(CCCn1nc(C(=O)NCCSCc1ccco1)c2)Cc1cccc(C)c1	EMOLS-id_32633240,MCULE-1814972844,PC-id_53086402	438.543	DVHPWEWWIXEYQV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133049
Cc1c(cc(cc1)S(=O)(=O)N1CCN(CC1)C)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478348	438.543	WDPJEKTXNDRMKZ-UHFFFAOYSA-N	00000010100010110111000000000010000000000000000000000000	31-01-133050
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1Cc1ccc2c(c1)OCO2	PC-id_16297085,CoCoCo_3082054,EMOLS-id_3663514,MCULE-8367448553,ZINC22_12681965,CHEMBL4579457	438.543	SAFMNRZSHKVGIH-UHFFFAOYSA-N	00000010110000100101000000001010000000000000000000000000	31-01-133051
CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)c1n[nH]c2CCCCCc12	EMOLS-id_335094216,MCULE-3712946149	438.543	YLUFJQVWRXYCBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133052
CCOc1ccc(Oc2ccc(NC(=O)CSc3nnc4n3CCCCC4)cc2)cc1	ZINC22_12675822,EMOLS-id_11715081,CoCoCo_3082170,PC-id_16295348,MCULE-8688908676	438.543	SEFNGWGIHRTVMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133053
CN1CCN(CC1)S(=O)(=O)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077366	438.543	WDPJEKTXNDRMKZ-JJIBRWJFSA-N	00000010100010110111000000000010000000000000000000000000	31-01-133054
C[S+](=O)(c1cccc(c1)NC(=O)c1cnc2n1CCN(CC2)CCc1ccccc1)[O-]	PC-id_134806178	438.543	NRMYVLNRXRROHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133055
o1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)ccc1COC	PC-id_42347228	438.543	QUOOFWWZHAAVTL-GOSISDBHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133056
o1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)ccc1COC	PC-id_42347237	438.543	QUOOFWWZHAAVTL-SFHVURJKSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133057
o1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)ccc1COC	PC-id_74845146	438.543	QUOOFWWZHAAVTL-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133058
o1c(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)C(C)C)ccc1COC	PC-id_42429296	438.543	WMFXJMDAHIMTHY-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133059
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1)C	PC-id_42189016	438.543	MRPYXJUIJQZNJJ-HXUWFJFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133060
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1)C	PC-id_42189018	438.543	MRPYXJUIJQZNJJ-FQEVSTJZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133061
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)ccc1)C	PC-id_74777358	438.543	MRPYXJUIJQZNJJ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133062
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ccoc3)C(C)C)CC2)cccc1)CC	PC-id_42501370	438.543	SMKXUACUFKKAHB-QFIPXVFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133063
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3ccoc3)C(C)C)CC2)cccc1)CC	PC-id_42501371	438.543	SMKXUACUFKKAHB-JOCHJYFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133064
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3ccoc3)C(C)C)CC2)cccc1)CC	PC-id_74808288	438.543	SMKXUACUFKKAHB-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133065
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)Cc1ccc2c(c1)OCO2)C	CoCoCo_3082055,CoCoCo_3082058	438.543	BOLZYCPSBNFJMX-UYRXBGFRSA-N	00000010110000100101000000001010000000000000000000000000	31-01-133066
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)Cc1ccc2c(c1)OCO2)C	CoCoCo_3082056,CoCoCo_3082057	438.543	BOLZYCPSBNFJMX-CPNJWEJPSA-N	00000010110000100101000000001010000000000000000000000000	31-01-133067
s1c2CCCCCc2cc1C(=O)NNC(=O)CCC(=O)N1N=C(CC1)c1ccccc1	PC-id_29911584	438.543	UAUOEWAZTZLDES-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-133068
s1c2CCCCCc2cc1C(=O)NNC(=O)CCC(=O)N(CCC#N)c1ccccc1	PC-id_56505408	438.543	KXEWRCOKYFDEHM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133069
s1c2CCCCCCc2cc1C(=O)N(c1c(n(Cc2ccccc2)c(=O)[nH]c1=O)N)C	PC-id_60395582	438.543	PNAOGAFTVGFRCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133070
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCCc1oc(nn1)c1ccccc1	PC-id_40393492	438.543	WUUHJKCSXDUFDS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133071
S(c1n2CCCCCc2nn1)CC(=O)c1c(n(c(c1)C)c1ccc(cc1)C(=O)OC)C	PC-id_29460933	438.543	XWHPIKLNFRXOOY-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-133072
c1(c2CCCCCc2n[nH]1)C(=O)N1CCOC(c2cccc(n2)Nc2scc(C)n2)C1	BDE-25244338,EMOLS-id_171580234,MCULE-8628510327,PC-id_110093008	438.546	SPSSZTVBMXWRGC-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-133073
Cc1csc(Nc2cccc([C@H]3CN(C(=O)c4[nH]nc5c4CCCCC5)CCO3)n2)n1	ZINC22_257305377	438.546	SPSSZTVBMXWRGC-GOSISDBHSA-N	00000000100010101101100000000010000000000000000000000000	31-01-133074
Cc1csc(Nc2cccc([C@@H]3CN(C(=O)c4[nH]nc5c4CCCCC5)CCO3)n2)n1	ZINC22_257305378	438.546	SPSSZTVBMXWRGC-SFHVURJKSA-N	00000000100010101101100000000010000000000000000000000000	31-01-133075
n12CCN(CCc1nnc2CNC(=O)C1CCOC1)Cc1cnc(c2ccccc2)s1	ChEMBL-DNDi_CHEMBL59873298,PC-id_45224503,EMOLS-id_20633237,MCULE-5970570408	438.546	YTNPBUQMDZESQE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133076
O=C(NCc1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2)[C@H]1CCOC1	CoCoCo_1468309,CoCoCo_1468311,ZINC22_14974211	438.546	YTNPBUQMDZESQE-KRWDZBQOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133077
O=C(NCc1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2)[C@@H]1CCOC1	CoCoCo_1468310,CoCoCo_1468312,ZINC22_14974207	438.546	YTNPBUQMDZESQE-QGZVFWFLSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133078
CC(c1ccc2-c(cc1)c(cc2CCCCCS(=O)(=O)Nc1ccccc1)C(=O)[O-])C	GD-id_ZINC29412471	438.559	WOHOGBVYNVOMOQ-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-133079
CC(c1cccc2-c(c1)c(cc2CCCCCNS(=O)(=O)c1ccccc1)C(=O)[O-])C	GD-id_ZINC13826294	438.559	FEVXIVVMDXWPGR-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-133080
CCOC(=O)c1c(NC(=O)CN2C(=O)C(C)SC(C)C2=O)sc2CCCCCc12	EMOLS-id_5518860,PC-id_3530934,MCULE-4139992993	438.561	JZTXZFVRVCYIOT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-133083
CCOC(=O)c1c(NC(=O)CN2C(=O)[C@H](C)S[C@H](C)C2=O)sc2c1CCCCC2	CoCoCo_5053375,ZINC22_17297494,PC-id_2148242	438.561	JZTXZFVRVCYIOT-TXEJJXNPSA-N	00000000100010000101000000000010000000000000000000000000	31-01-133084
CCOC(=O)c1c(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)sc2c1CCCCC2	ZINC22_2710844,CoCoCo_5053376,PC-id_2148243	438.561	JZTXZFVRVCYIOT-VXGBXAGGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-133085
CCOC(=O)c1c(NC(=O)CN2C(=O)[C@H](C)S[C@@H](C)C2=O)sc2c1CCCCC2	ZINC22_2710845,CoCoCo_5053377,PC-id_2148244	438.561	JZTXZFVRVCYIOT-RYUDHWBXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-133086
Fc1cc(CC(=O)NCc2n3CC[NH+](CC4=CCC5C(C4C5)(C)C)CCc3nn2)ccc1	PC-id_74843652	438.561	VLZRFEUFZZLGFV-UHFFFAOYSA-O	00001000100011110101001000000010000000000000000000000000	31-01-133087
Fc1cc(CC(=O)NCc2n3CC[NH+](CC4=CC[C@@H]5C([C@H]4C5)(C)C)CCc3nn2)ccc1	PC-id_42328812	438.561	VLZRFEUFZZLGFV-FPOVZHCZSA-O	00001000100011110101001000000010000000000000000000000000	31-01-133088
O=C(Cc1cccc(c1)F)NCc1nnc2n1CC[N@@H+](CC2)CC1=CC[C@H](CC1)C(=C)C	GD-id_ZINC14999008	438.561	LQEMIEQIXKVDNP-OAQYLSRUSA-O	00000000100011110101000000000010000000000000000000000000	31-01-133089
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(c(OCCOC)cc1)C	PC-id_55638829	438.561	IIUIWOADMCJJCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133090
c1(CN(C)C(=O)CCC2(CCC(=O)N2)Cc2ccc(cc2)OC)c2CCCCCc2[nH]n1	MCULE-6043713810,EMOLS-id_20728481,PC-id_45247528	438.562	DANRQNGGYYMUCD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133091
c1(C(=O)Nc2ccc(cc2)[C@@H]2C[C@H](NC(=O)C)C[C@H](C(C)C)O2)c2CCCCCc2n[nH]1	MCULE-4172315887,ZINC22_19711805,EMOLS-id_257123,PC-id_110130102,BDF-23112724	438.562	KGBVUXCJEUNRGF-PTUXOGIPSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133092
CCOC(=O)c1c(NC(=O)Cn2cc[n+](c2)Cc2ccccc2)sc2c1CCCCC2	PC-id_142769801	438.562	FUTZEOLYCZQQQR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133093
COc1ccccc1N1CCN(CC1)CCCCCn1ccc2c1C(=O)N(C)CCC2=O	PC-id_20085241,SCHEMBL6989466	438.562	RWZNJFVDFXGGBO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133094
COc1ccc(C[C@]2(CCC(=O)N(C)Cc3n[nH]c4c3CCCCC4)CCC(=O)N2)cc1	CoCoCo_1614314,CoCoCo_1614312,ZINC22_15002533,PC-id_26358360	438.562	DANRQNGGYYMUCD-RUZDIDTESA-N	00000010100000110101000000000010000000000000000000000000	31-01-133095
COc1ccc(C[C@@]2(CCC(=O)N(C)Cc3n[nH]c4c3CCCCC4)CCC(=O)N2)cc1	CoCoCo_1614315,CoCoCo_1614313,ZINC22_15002529,PC-id_26358355	438.562	DANRQNGGYYMUCD-VWLOTQADSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133096
O=C(C1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)c1ccc(CC(C)C)cc1	PC-id_55715286	438.562	CCSDVFFGPPRYTQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133097
c1ccc(CCc2nnc3n2CCN(Cc2ccc(OCc4ccccc4)cc2)CC3)cc1	PC-id_28666208,ZINC22_20136998,CoCoCo_1525179,MCULE-7308691075,CoCoCo_1525178,EMOLS-id_20670631	438.564	NJYBKBGTPRHPKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133098
C=C[C@@H]1CC(=O)NCc2scc(n2)C(=N[C@@H](C(=O)NC(C(=O)O1)C(C)C)C)SC	PC-id_143928809	438.564	WFCVFLAJNKFAIH-RJKRMVDRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-133099
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1c(OC)cccc1OC)C(C)C)C	PC-id_74844380	438.564	VQUNYEPMXJEMPF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133100
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1c(O)c(OCC)ccc1)C(C)C)C	PC-id_74804125	438.564	HMCNSWQLKSTIGA-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133101
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cccc1OC)C(C)C)C	PC-id_42342142	438.564	VQUNYEPMXJEMPF-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-133102
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cccc1OC)C(C)C)C	PC-id_42342146	438.564	VQUNYEPMXJEMPF-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133103
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(O)c(OCC)ccc1)C(C)C)C	PC-id_42449758	438.564	HMCNSWQLKSTIGA-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133104
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(O)c(OCC)ccc1)C(C)C)C	PC-id_42449759	438.564	HMCNSWQLKSTIGA-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133105
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCN(CC1)C)c2)Cc1cccc(C)c1	MCULE-2164406525,EMOLS-id_32633196,PC-id_53086386	438.566	OIEKMKMMIRBWOD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133106
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCN(CC1)CC)c2)Cc1cccc(C)c1	EMOLS-id_32633208,MCULE-8476142645,PC-id_53086389	438.566	FZTGPXNCFHVSFC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133107
c1(c2CCCCCc2n[nH]1)C(=O)N1CCCCC1c1ncc(c(C)n1)C(=O)N(CC)CC	MCULE-7314835593,BDC-23195598,PC-id_110084663,EMOLS-id_143923	438.566	WFCKXCOQASDBPH-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-133108
c1(cn2c(CCNCC2)n1)C(=O)N1CCCCNC(CC(=O)NCCC1)c1ccccc1	EMOLS-id_337813251,MCULE-4195955153	438.566	AIPYREGNBYKBBL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133109
Cc1ccccc1c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1	PC-id_25981996,CoCoCo_4177998,ZINC22_14183616	438.566	AEGNEWZDVWDISL-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133110
Cc1ccccc1c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1	PC-id_25981997,ZINC22_14183617,CoCoCo_4177999	438.566	AEGNEWZDVWDISL-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133111
C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41272148,ZINC22_9910355,CoCoCo_4175064	438.566	XKNPQPGWUAUNSK-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133112
C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9910360,CoCoCo_4175065,PC-id_41272150	438.566	XKNPQPGWUAUNSK-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133113
CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2[nH]nc3c2CCCCC3)nc1C	ZINC22_19765531	438.566	WFCKXCOQASDBPH-FQEVSTJZSA-N	00000000100010100101100000000010000000000000000000000000	31-01-133114
CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2[nH]nc3c2CCCCC3)nc1C	ZINC22_19765532	438.566	WFCKXCOQASDBPH-HXUWFJFHSA-N	00000000100010100101100000000010000000000000000000000000	31-01-133115
CCOc1cccc2c1oc(c2)C(NC(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111396787	438.566	GUOBMSDKENHLQB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-133116
CN1CCCC(C1)C(=O)NCCc1nnc2n1CCN(CC2)Cc1ccc2c(c1)CCO2	ChEMBL-DNDi_CHEMBL16160718	438.566	YFZPOTNPAWXPGW-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-133117
CN(C)c1ccc(/C=C/CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)cc1	EMOLS-id_44852435,PC-id_45200465	438.566	BBECCTGUJPGFAS-HWKANZROSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133118
CN(C)c1ccc(/C=C/CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)cc1	ZINC22_11913620,CoCoCo_1315388,CoCoCo_1315392	438.566	BBECCTGUJPGFAS-GUWAZMKPSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133119
CN(C)c1ccc(/C=C/CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc1	ZINC22_11913621,CoCoCo_1315386,CoCoCo_1315390	438.566	BBECCTGUJPGFAS-LAEWNIMASA-N	00000010100000110101000000000010000000000000000000000000	31-01-133120
COc1ccccc1C=CCN1CCc2n(CC1)c(nn2)CNC(=O)C1CCCN(C1)C	MCULE-4886050022,PC-id_74802428	438.566	FAPVEGGLRXKIHW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133121
COc1ccccc1/C=CCN1CCc2n(CC1)c(nn2)CNC(=O)[C@H]1CCCN(C1)C	CoCoCo_1413734,CoCoCo_1413738,CoCoCo_1413736,CoCoCo_1413740	438.566	FAPVEGGLRXKIHW-LZVBJTEYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133122
COc1ccccc1/C=C/CN1CCc2nnc(CNC(=O)C3CCCN(C)C3)n2CC1	EMOLS-id_26008993,PC-id_45215834	438.566	FAPVEGGLRXKIHW-SOFGYWHQSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133123
COc1ccccc1/C=C/CN1CCc2nnc(CNC(=O)[C@H]3CCCN(C)C3)n2CC1	CoCoCo_1413739,CoCoCo_1413741,CoCoCo_1413735,ZINC22_12148766,CoCoCo_1413737,PC-id_42428751	438.566	FAPVEGGLRXKIHW-IEJURRBGSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133124
COc1ccccc1/C=C/CN1CCc2nnc(CNC(=O)[C@@H]3CCCN(C)C3)n2CC1	ZINC22_12148765,PC-id_42428749	438.566	FAPVEGGLRXKIHW-CPSHHHPTSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133125
n12CCN(CCc1nnc2CCNC(=O)C1CCCO1)CC=Cc1ccc(cc1)N(C)C	PC-id_75100050,MCULE-2457137821	438.566	BBECCTGUJPGFAS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133126
N#Cc1c(NC(=O)C(=O)Nc2sc3c(c2C#N)CCCCC3)sc2c1CCCCC2	ZINC22_3258702,EMOLS-id_3015452,CoCoCo_3768122,MCULE-8630685349,PC-id_2375465	438.566	PKDLZNAHADHMOG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-133127
N#Cc1c(NC(=O)C(Sc2nnc(o2)c2ccccc2C)C)sc2c1CCCCC2	EMOLS-id_43973795,PC-id_17566933,MCULE-3476835482	438.566	AEGNEWZDVWDISL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133128
N#Cc1c(NC(=O)C(Sc2nnc(o2)Cc2ccccc2)C)sc2c1CCCCC2	EMOLS-id_11802224,MCULE-2057220488,PC-id_16357716	438.566	XKNPQPGWUAUNSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133129
O1C(CCC1)C(=O)NCCc1n2CCN(CCc2nn1)Cc1ccc(N2CCCC2)cc1	PC-id_45194815	438.566	UEILCFSMNHMOGM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133130
O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)c2cn3c(n2)CCNCC3)CCCN1	ZINC22_2356137914	438.566	AIPYREGNBYKBBL-FQEVSTJZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133131
O=C1C[C@H](c2ccccc2)NCCCCN(C(=O)c2cn3c(n2)CCNCC3)CCCN1	ZINC22_2356137915	438.566	AIPYREGNBYKBBL-HXUWFJFHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133132
O=C1N(CCCn2nc(cc12)C(=O)NCCCN1CCN(CC1)CC)Cc1ccccc1	PC-id_50798089	438.566	KXEAJBNGKPNSPV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133133
O=C1N(CCCn2nc(cc12)C(=O)NCCN1CCN(CC1)CC)Cc1ccc(cc1)C	PC-id_50797905	438.566	GSFHCAIFCUOHAT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133134
O=C([C@@H]1CCCO1)NCCc1nnc2n1CCN(CC2)Cc1ccc(cc1)N1CCCC1	CoCoCo_1279466,CoCoCo_1279468	438.566	UEILCFSMNHMOGM-NRFANRHFSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133135
O=C([C@H]1CCCO1)NCCc1nnc2n1CCN(CC2)Cc1ccc(cc1)N1CCCC1	CoCoCo_1279467,CoCoCo_1279465	438.566	UEILCFSMNHMOGM-OAQYLSRUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133136
O=C([C@H]1CCCO1)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccc(cc1)N(C)C	CoCoCo_1315385,CoCoCo_1315389	438.566	BBECCTGUJPGFAS-VEBBDIFPSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133137
O=C([C@@H]1CCCO1)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccc(cc1)N(C)C	CoCoCo_1315391,CoCoCo_1315387	438.566	BBECCTGUJPGFAS-OMUFJYGLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133138
O=C(N1CCC(CC1)C)c1cc(c(NC(=O)NCCc2n3CCCCCc3nn2)cc1)C	PC-id_60489600	438.566	OVJYYXZLVGDHQP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133139
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2ccc(OC)cc2)ccn1)C#N	PC-id_29534701	438.566	XSPHLVPFYHPODN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133140
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2cc(OC)ccc2)ccn1)C#N	PC-id_46806671	438.566	UFCQGYKUNVEUOV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133141
s1c2CCCCCc2c(c1NC(=O)C(Sc1oc(nn1)c1ccc(cc1)C)C)C#N	PC-id_24497071	438.566	KTCKHCONATWEMQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133142
Cc1ccccc1n1nnnc1SCCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_3572910,MCULE-2668993150,ZINC22_13117201,EMOLS-id_11757852,PC-id_16323858	438.569	PHSBCORHGJEFCX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133143
Cc1ccccc1n1nnnc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41213840,ZINC22_9788908,CoCoCo_4173617	438.569	ZFFNFWKNBLPHGF-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133144
Cc1ccccc1n1nnnc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41213841,CoCoCo_4173616,ZINC22_9788909	438.569	ZFFNFWKNBLPHGF-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133145
Cc1ccc(C)c(n2nnnc2SCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1	EMOLS-id_3086817,MCULE-6837724068,CoCoCo_3083441,ZINC22_3300038,PC-id_2415635	438.569	AVUSHRYPVIMKBA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133146
Cc1ccc(n2nnnc2SCCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	EMOLS-id_11747259,PC-id_16316765,CoCoCo_3572904,ZINC22_8899134,MCULE-1067327914	438.569	SWWXCPRMVJXHEW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133147
Cc1ccc(n2nnnc2SCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1	ZINC22_3302680,EMOLS-id_3088395,PC-id_2418300,CoCoCo_2862370,MCULE-2729456380	438.569	QDFMSOCJVKHULR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133148
Cc1ccc(n2nnnc2S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	CoCoCo_4173045,PC-id_25719544,ZINC22_13127316	438.569	MFYXMESXEURXRW-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133149
Cc1ccc(n2nnnc2S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	PC-id_25719545,ZINC22_13127319,CoCoCo_4173046	438.569	MFYXMESXEURXRW-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133150
C[C@@H](Sc1nnc(c2cccnc2)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4174073,PC-id_41189025,ZINC22_9727917	438.569	SNIDTCHLXPEGFL-CYBMUJFWSA-N	00000000100000101101100000000010000000000000000000000000	31-01-133151
C[C@H](Sc1nnc(c2cccnc2)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41189023,CoCoCo_4174072,ZINC22_9727914	438.569	SNIDTCHLXPEGFL-ZDUSSCGKSA-N	00000000100000101101100000000010000000000000000000000000	31-01-133152
C[C@@H](Sc1nnc(c2ccncc2)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4175607,PC-id_25731092,ZINC22_13163872	438.569	VTWVBPQTWNMBHZ-CYBMUJFWSA-N	00000000100000101101100000000010000000000000000000000000	31-01-133153
C[C@H](Sc1nnc(c2ccncc2)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25731093,ZINC22_13163873,CoCoCo_4175608	438.569	VTWVBPQTWNMBHZ-ZDUSSCGKSA-N	00000000100000101101100000000010000000000000000000000000	31-01-133154
C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4302600,PC-id_41166335,ZINC22_9663149	438.569	VYMHTPHKIMJGHL-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133155
C[C@H](Sc1nnnn1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9663145,CoCoCo_4302599,PC-id_41166331	438.569	VYMHTPHKIMJGHL-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133156
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccccn1	TIMTEC149578,CoCoCo_6827451,ZINC22_17102694,MCULE-9338020892,EMOLS-id_4125102,PC-id_17383563	438.569	FMNOBPZTOPAZST-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-133157
N#Cc1c(NC(=O)C(Sc2nnc(n2C)c2cccnc2)C)sc2c1CCCCC2	MCULE-6898537505,EMOLS-id_11765043,PC-id_16328733	438.569	SNIDTCHLXPEGFL-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-133158
N#Cc1c(NC(=O)C(Sc2nnc(n2C)c2ccncc2)C)sc2c1CCCCC2	MCULE-5222493076,EMOLS-id_11780447,PC-id_16338913	438.569	VTWVBPQTWNMBHZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-133159
N#Cc1c(NC(=O)C(Sc2nnnn2c2ccccc2C)C)sc2c1CCCCC2	MCULE-4433262563,PC-id_16332879,EMOLS-id_11771257	438.569	ZFFNFWKNBLPHGF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133160
N#Cc1c(NC(=O)C(Sc2nnnn2c2ccc(cc2)C)C)sc2c1CCCCC2	PC-id_16333553,EMOLS-id_11772609,MCULE-1225605725	438.569	MFYXMESXEURXRW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133161
N#Cc1c(NC(=O)C(Sc2nnnn2Cc2ccccc2)C)sc2c1CCCCC2	PC-id_16337349,EMOLS-id_3688214,MCULE-6187228379	438.569	VYMHTPHKIMJGHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133162
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)c1cccnc1)C#N	PC-id_20126816	438.569	KVTWSIVVMPKEPX-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-133163
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)c1ccncc1)C#N	PC-id_20126923	438.569	GRJNZUMMESMYCL-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-133164
s1c2CCCCCc2c(c1NC(=O)CSc1n(N)c(nn1)c1ccc(cc1)C)C#N	PC-id_3892844	438.569	WCCMWZHSSZXKES-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133165
s1c2CCCCCc2c(c1NC(=O)CSc1n(nnn1)c1c(c(ccc1)C)C)C#N	PC-id_26643554	438.569	TXSLQDFFLQFEBF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133166
s1c2CCCCCc2c(c1NC(=O)CSc1n(nnn1)c1cc(c(cc1)C)C)C#N	PC-id_26650884	438.569	FYUGSBOLLOWUPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133167
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cccnc1)C)C#N	PC-id_20126780	438.569	IRBXDDYZQZHXQW-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-133168
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ncccc1)C)C#N	PC-id_20126996	438.569	MJEHIWJMSOFDMZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-133169
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(scc1)C(=O)OC)C(=O)OCC	PC-id_19655476	438.584	PLFZJSPPFHHKMY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-133170
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(scc1)C(=O)OC)C(=O)OC	PC-id_19655472	438.584	DKVGORMRVYSDBH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-133171
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)C1(OC(CO1)C)C	PC-id_43904248	438.584	VHJZBJNORUFDIT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-133172
Cc1c(ccc(c1)c1nn(c(c1)C(C)C)CC(=O)N1CCc2c(CC1)sc(n2)C)OC	PC-id_89607905,SCHEMBL15001988	438.586	RUZVVKFSAQNNLE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133173
CCCc1ccc(cc1)N(Cc1nnc2CCCCCn12)S(=O)(=O)c1ccc(C)cc1	CoCoCo_6271124,PC-id_34883437,MCULE-4891349109,EMOLS-id_10085481,ZINC22_27526251	438.586	JENCACSWZTZQDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133174
CCC(=O)N[C@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(cc1)C#CC(O)(C)C)C(C)C	GD-id_ZINC12034441	438.586	BPJQNGGIPXDQBH-QHCPKHFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133175
CCOc1ccccc1N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC22_35500539,MCULE-6475881931,CoCoCo_3567894,EMOLS-id_3251288,CoCoCo_3567895,PC-id_2084436	438.586	LMQZOBUEBANCSL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133176
CNCC[C@@H](c1cccs1)Oc1ccc(c(c1)C)CN1CCCn2c(C1=O)cc(n2)C	PC-id_142566906	438.586	ZLMFXBJCLZXYBB-QFIPXVFZSA-N	00000000100100110101000000000010000000000000000000000000	31-01-133177
CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1N1CCOCC1	MCULE-2417806468,PC-id_26381522,EMOLS-id_45633064,ZINC22_15038477	438.586	BEDYQYCCDPYSKJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133178
CNC(=O)N(C1CCCN(CC1)Cc1ccc(cc1)Oc1sc2c(n1)CC=CC=C2)C	PC-id_143381790	438.586	AUVVUUVCIVGFEB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133179
COc1ccc(cc1)CCn1c(C)cc(c1C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3081699,CoCoCo_3081702	438.586	CDMKGIYOUDBVNP-JWGURIENSA-N	00000000110000110101000000000010000000000000000000000000	31-01-133180
COc1ccc(cc1)CCn1c(C)cc(c1C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3081701,CoCoCo_3081700	438.586	CDMKGIYOUDBVNP-CJLVFECKSA-N	00000000110000110101000000000010000000000000000000000000	31-01-133181
COc1ccccc1N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	CoCoCo_3564117,EMOLS-id_11758942,MCULE-7894908957,PC-id_16324592,CoCoCo_3564116,ZINC22_9797653	438.586	ITQFCMWXVGPVEE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133182
COc1ccc(CCn2c(C)cc(C(=O)CSc3nnc4n3CCCCC4)c2C)cc1	CoCoCo_3081698,ZINC22_13114839,PC-id_16339187,EMOLS-id_11780901,MCULE-8888119130	438.586	ACHPDHCNZKSMEM-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-133183
COc1cccc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c1	CoCoCo_3581910,CoCoCo_3581911,EMOLS-id_11757192,ZINC22_10036479,MCULE-7975677558,PC-id_16323386	438.586	WIRGHRGSXYATQV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133184
COc1ccc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)cc1	CoCoCo_3572890,EMOLS-id_11763416,PC-id_16327612,ZINC22_9873977,MCULE-4573553383,CoCoCo_3572889	438.586	ZNYVOVPQMAOHMW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133185
COc1cc(CN(C)Cn2nc3n(c2=S)CCCCC3)ccc1OCc1ccccc1	ZINC22_22280806,PC-id_17466442	438.586	CMGHLIUDABCLPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133186
N#CCCN(c1ccc(c(c1)C)N=Nc1sc2c(c1C(=O)OCC)CCCCC2)CC	PC-id_102065704	438.586	OCSAJTCWDGGVGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133187
O=C1C/C=CSCc2c(C(N1Cc1ccccc1)(C)C(=O)NC1CCCC1)nn(c2)C	PC-id_143555717	438.586	AQLAUCNEHNIMOS-ZSOIEALJSA-N	00000010100000110111000000000010000000000000000000000000	31-01-133188
O=C(NCCc1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)C1CCCCC1	PC-id_26321681	438.586	CUVHIPXKBHNWAN-YRNVUSSQSA-O	00000000100010110101000000000010000000000000000000000000	31-01-133189
O=C(NCCc1n2CC[NH+](CCc2nn1)CC=Cc1c(OC)cccc1)C1CCCCC1	PC-id_74496170	438.586	CUVHIPXKBHNWAN-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-133190
s1c2CCCCCc2c(c1NC(=O)CCN(CC(=O)Nc1c(cccc1C)C)C)C#N	PC-id_27243582	438.586	DMUFXXCNGKYJMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133191
s1c2CCCCCc2c(c1NC(=O)CCN(CC(=O)Nc1c(c(ccc1)C)C)C)C#N	PC-id_27254313	438.586	JNYRKFOBSNCCAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133192
s1c2CCCCCc2c(c1NC(=O)CCN(CC(=O)Nc1c(CC)cccc1)C)C#N	PC-id_55354196	438.586	LRUYDVGXBLCIOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133193
s1c2c(CCCCC2)c(c1NC(=O)CN1CCCN(CC1)c1ccc(OC)cc1)C#N	PC-id_78902419	438.586	ARCUKASENXYUCF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133194
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)c1c(OC)cccc1)C)C#N	PC-id_55430309	438.586	QSFGDUCRSUCKAU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133195
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(OC)ccc1)C#N	PC-id_22195021	438.586	MMRZGSXKTSMRPD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133196
s1c2CCCCCc2c(c1NC(=O)C(Nc1ccc(NC(=O)C(C)(C)C)cc1)C)C#N	PC-id_18224840	438.586	QHWCMPRWCAHVFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133197
s1c2CCCCCc2c(c1NC(=O)CN(CCC)CC(=O)Nc1c(cccc1)C)C#N	PC-id_27221829	438.586	NZCWMXCACZBDLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133198
s1c2CCCCCc2c(c1NC(=O)C(N(CC(=O)Nc1c(CC)cccc1)C)C)C#N	PC-id_55430874	438.586	NGVFRRVVMRPYIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133199
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(OC)cc1)C#N	PC-id_22198616	438.586	HJCQYPDEZSGAII-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133200
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(OC)ccc1)C#N	PC-id_22199442	438.586	ZTFDEGHUWVIMBN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133201
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(OC)cccc1)C#N	PC-id_22199493	438.586	RFMKRIHUPCYTSS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133202
s1c2CCCCCCc2nc1NC(=O)C(NC(=O)C(C)C)Cc1c2c([nH]c1)cccc2	PC-id_56022366	438.586	SIYGXRQWPPABNG-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-133203
CC(C(=O)N(C1CCS(=O)(=O)C1)C)N1CCN(CC1)Cc1nnc2n1CCCCC2	MCULE-9842982884,EMOLS-id_35708930,PC-id_53520655	438.587	XVAATRCNAGCEQB-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-133204
C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_95160967,ZINC22_65625506	438.587	XVAATRCNAGCEQB-DLBZAZTESA-N	00000010100010000101000000000010000000000000000000000000	31-01-133205
C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_95160968,ZINC22_65625508	438.587	XVAATRCNAGCEQB-IAGOWNOFSA-N	00000010100010000101000000000010000000000000000000000000	31-01-133206
C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_95160970,ZINC22_65625512	438.587	XVAATRCNAGCEQB-SJORKVTESA-N	00000010100010000101000000000010000000000000000000000000	31-01-133207
C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_65625510,PC-id_95160969	438.587	XVAATRCNAGCEQB-IRXDYDNUSA-N	00000010100010000101000000000010000000000000000000000000	31-01-133208
C1CN(CCN1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)NCCC1CC=C(C=C1)N	PC-id_89125887	438.589	XEWGQLJJPLWKJR-UHFFFAOYSA-N	00000000100011000111000000000010000000000000000000000000	31-01-133209
CC(C(=O)Nc1cc(nn1c1ccccc1)C(C)(C)C)Sc1nnc2n1CCCCC2	EMOLS-id_43775480,MCULE-1326916836,PC-id_16309015	438.589	ZYXCRKUFGPNUAF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133210
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cc(C(C)(C)C)nn1c1ccccc1	PC-id_41080889,ZINC22_9463672,CoCoCo_3081483	438.589	ZYXCRKUFGPNUAF-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133211
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cc(C(C)(C)C)nn1c1ccccc1	PC-id_41080890,ZINC22_9463675,CoCoCo_3081484	438.589	ZYXCRKUFGPNUAF-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133212
NC1=CCC(C=C1)CCN/C/1=N/Cc2cc(sc2/C=CC/C=N1)C(=O)N1CCNCC1	SCHEMBL13591909	438.589	XEWGQLJJPLWKJR-SKALBVTPSA-N	00000000100011000111000000000010000000000000000000000000	31-01-133213
N#Cc1c(NC(=O)CCN(CC2CCCN2c2cccnn2)C)sc2c1CCCCC2	PC-id_86894757	438.589	MTVSJLKYWQBQIG-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-133214
N#Cc1c(NC(=O)C(N(CC2CCCN2c2cccnn2)C)C)sc2c1CCCCC2	PC-id_86894684	438.589	ZRLCTADGEGDTPV-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-133215
[Si](OC1c2ncn(c2NC=NC1)Cc1ccccc1)(c1ccccc1)(c1ccccc1)C	PC-id_72373830	438.596	QSEHSVIRSHFFHD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133216
[Si](O[C@H]1c2ncn(c2NC=NC1)Cc1ccccc1)(c1ccccc1)(c1ccccc1)C	PC-id_59748414	438.596	QSEHSVIRSHFFHD-XMMPIXPASA-N	00000000100000110111000000000010000000000000000000000000	31-01-133217
Cc1nc2c(s1)CCN(CC2)C(=C)Cn1nc(cc1CC(C)C)c1ccc(c(c1)C)F	PC-id_145587974	438.604	SPSOFYKRHMYMPM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133218
c1(c2CCCCCc2sc1N=Cc1sccc1C)C(=O)Nc1ccccc1OCC	MCULE-2698723512,PC-id_4610517	438.605	BRUXYNJBJZBKEK-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-133219
CCOc1ccccc1NC(=O)c1c2CCCCCc2sc1/N=C/c1sccc1C	CoCoCo_6728548,EMOLS-id_46413561,PC-id_9679140,ZINC22_101185166	438.605	BRUXYNJBJZBKEK-MFKUBSTISA-N	00000000100100110100000000000010000000000000000000000000	31-01-133220
CCOc1ccccc1NC(=O)c1c(/N=Cc2sccc2C)sc2c1CCCCC2	CoCoCo_6728549,TIMTEC84563,ZINC22_15945623	438.605	BRUXYNJBJZBKEK-MYYYXRDXSA-N	00000000100100110100000000000010000000000000000000000000	31-01-133221
CCN1CCC(CC1)OCCCNC(=O)c1ccc2CN(Cc3ccccc3)CCCn12	EMOLS-id_317419352,MCULE-3132742948	438.606	ZCWGRVDKFINLNQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133222
O=C(c1sc2c(c1)CCCCCC2)NNS(=O)(=O)c1c(C)nn(c1C)C(C)(C)C	PC-id_86934770	438.607	MLJQHHUEIRIAPT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133223
S(=O)(=O)(N(C1CCN(CC1)CCC(=O)Nc1sc2c(CCCCC2)c1C#N)C)C	PC-id_56127558	438.607	LABDNXXGYVOWAA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-133224
CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)C4CCCN(C)C4)n3CC2)cc1	EMOLS-id_20517401,MCULE-3776494249,PC-id_45197418	438.609	XEJZIHAKVNGYNC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133225
CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCCN(C)C4)n3CC2)cc1	CoCoCo_1296337,ZINC22_12001683,CoCoCo_1296335,CoCoCo_1296334,CoCoCo_1296336	438.609	XEJZIHAKVNGYNC-QFIPXVFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133226
CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCCN(C)C4)n3CC2)cc1	CoCoCo_1296341,ZINC22_12001676,CoCoCo_1296339,CoCoCo_1296338,CoCoCo_1296340	438.609	XEJZIHAKVNGYNC-JOCHJYFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133227
CCNC(=NCc1ccc(cc1OC1CCCC1)C)NCCc1nnc2n1CCCCC2	PC-id_109608816	438.609	QOXAJZYOFBGUHR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133228
CCNC(=NCc1ccc(cc1OCC1CC1)C)NCCCc1nnc2n1CCCCC2	PC-id_109586349	438.609	YVEJPCDVJBJURC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-133229
CCNC(=NCC1CCCOC1c1ccc(cc1)C)NCCc1nnc2n1CCCCC2	PC-id_111619938	438.609	WUHVWAIVZAIVHD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133230
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)COCc1ccccc1	PC-id_111527433	438.609	XBKHNCJKVFTLIQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133231
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCOC(C1)c1ccc(cc1C)C	PC-id_109522383	438.609	YERUWCVXEDIQFZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133232
CN=C(NCc1ccc(cc1OC1CCCC1)C)NCCCc1nnc2n1CCCCC2	PC-id_109608922	438.609	VUMRVOGWWFPABT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133233
CN=C(NCC1CCCOC1c1ccc(cc1)C)NCCCc1nnc2n1CCCCC2	PC-id_111620516	438.609	QCJOWWNWMAFVJK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133234
S(c1n2CCCCCc2nn1)CC(=O)Nc1ccc(Sc2c(ccc(c2)C)C)cc1	PC-id_24371241	438.609	HNLVGPUZVTWNEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133235
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)c1ccc(cn1)C	PC-id_112079069	438.612	VUTBEPVHZLZLII-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-133236
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)c1cccc(n1)C	PC-id_112081667	438.612	WRJWRRLSADYVQQ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-133237
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)Cc1ccccn1	PC-id_112076734	438.612	GCNLHNCEUQFNHK-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-133238
s1c(C(=O)N(C2CCN(CC2)C(=O)c2ccccc2)CCC)cc2c1CCCCCC2	PC-id_56364700	438.625	QAOGGLGGIUPXNN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133239
S(=O)(=O)(NCCCCc1c2-c(c(c1)CN(C)C)ccc(C(C)C)cc2)c1ccccc1	PC-id_10071858	438.625	NRSLOYMUTLARNI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133240
S(=O)(=O)(NC1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)c1sccc1	PC-id_41979962	438.627	UXSKWXMUFBZZOC-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-133241
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCCCCCCC)C(=O)OC	PC-id_19651338	438.69	BHEQIMXYQIMDTA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-133242
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCCCCCC)C(=O)OCC	PC-id_19651254	438.69	DSPOMPMQADVVLL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-133243
s1c2c(CCCCC2)c(c1NC(=S)N(CCCCC)CCCCC)C(=O)OCC	PC-id_19653354	438.69	CXSUIORFVKNMGS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-133244
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCCCCCC)C(=O)OC	PC-id_19651247	438.69	DTLGNRMPGFHFTN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-133245
s1c2c(CCCCCC2)c(c1NC(=S)N(CCCCC)CCCCC)C(=O)OC	PC-id_19653347	438.69	OLXQFLICSZNDBV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-133246
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCCCCC)C(=O)OCC	PC-id_19651158	438.69	DREPEFKAZWFFGU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-133247
CCCCCCCCCCCCCCCCCc1ccc2-c1c(OC)cc(cc2)C(C)C	PC-id_19815769,SCHEMBL9875962	438.728	GYFOEZBAENJYIJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-133248
CCCCCCCCCCCCCCCCCc1ccc2-c1c(OC)ccc(c2)C(C)C	SCHEMBL9876658,PC-id_19996702	438.728	XMSCCFIKKAHLCD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-133249
O(CCCCCCCCCCCCCCCCCC)c1c2-c(cc(C(C)C)cc1)ccc2	PC-id_56609620	438.728	QZXRBDYMKQWSFU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-133250
C/C=C(C=C/1N(C)CCc2c(C1=C)sc(c2)C(=O)Nc1c(F)cc(cc1Cl)F)/F	PC-id_142511868	438.894	KCLDBECHBHBQLN-QGMMEXLTSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133251
CC(C)c1ccc2-c(c(cc2CNC(=O)CNC(=O)c2ccc(Cl)cc2)C(=O)O)cc1	PC-id_44292329,CHEMBL45360,BindingDB_PC-id_44292329	438.903	ZAPATUKSEPZOKP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133252
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1OC)c2)Cc1ccc(cc1)Cl	EMOLS-id_16324792,CoCoCo_2544624,MCULE-1904847457,PC-id_20964790	438.907	RNLIYQGFESMBAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133253
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OC)c2)Cc1ccc(cc1)Cl	PC-id_20964781,EMOLS-id_16324774,MCULE-2798954657,CoCoCo_2544615	438.907	KDKILNMHPZNNMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133254
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(OC)c1)c2)Cc1ccc(cc1)Cl	EMOLS-id_16324794,CoCoCo_2544625,MCULE-1391849406,PC-id_20964791	438.907	AUBDBOSXLRKUEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133255
Clc1cc(c2cc(CCn3c4NC=NCC(O)c4nc3)cc(c2)C(=O)OCC)ccc1	PC-id_11797316	438.907	BCHXNQMNRHKBEI-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-133256
Clc1ccc(c2cc(CCn3c4NC=NCC(O)c4nc3)cc(c2)C(=O)OCC)cc1	PC-id_10836788	438.907	ZNLGLDWMMFBMIF-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-133257
Clc1nccc(C(=O)N2CCn3c(nnc3CCNC(=O)c3ccc(cc3)C)CC2)c1	PC-id_42397442	438.91	KBESIYWXUXEHEA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-133258
Clc1c(C2=CCN(CCCc3onc4c3CCCCC4)CC2)cc(cc1)C(F)(F)F	PC-id_59939402,SCHEMBL7960353	438.914	XYGUVDHBARFMDR-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-133259
Clc1c(cc(C2=CCN(CCCc3onc4c3CCCCC4)CC2)cc1)C(F)(F)F	PC-id_59939364,SCHEMBL7949615	438.914	KLWMDVWHXDFHEO-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-133260
Clc1c(C2=CCN(CCCc3n4CCCCCc4nn3)CC2)cc(cc1)C(F)(F)F	PC-id_59939446,SCHEMBL7963975	438.917	GXELORJMMRYDST-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-133261
Clc1c(cc(C2=CCN(CCCc3n4CCCCCc4nn3)CC2)cc1)C(F)(F)F	PC-id_59939396	438.917	XNCDWPUTNJVWQO-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-133262
Clc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCC(=O)c2c1ccs2	SCHEMBL6991988,PC-id_69954792	438.927	CRQJVLVBEJFNMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133263
Clc1ccc(cc1NC(=O)c1n[nH]c2CCCCCc12)S(=O)(=O)N1CCOCC1	EMOLS-id_335108033,MCULE-6941456721	438.928	QIYGAFNCVCAOPT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133264
Clc1cc2C(=Cc3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68524813	438.95	UWVUBXKKRUYBQL-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-133265
Clc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL3136212,PC-id_25115837	438.95	UWVUBXKKRUYBQL-JXAWBTAJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-133266
CC(C(c1nnc2n1CCN(CC2)Cc1ccc(cc1)Cl)NC(=O)c1ccccn1)C	ChEMBL-DNDi_CHEMBL62614581	438.953	STKKBHDZPRNPHW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-133267
Clc1c(Cn2nc(c(c2C)/C=C/C(=O)NCc2n3CCCCCc3nn2)C)cccc1	PC-id_24676688	438.953	WUCKMABTCWGMES-VAWYXSNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133268
Clc1c(Cn2nc(c(c2C)C=CC(=O)NCc2n3CCCCCc3nn2)C)cccc1	PC-id_74311135	438.953	WUCKMABTCWGMES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133269
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccccc1Cl	CoCoCo_1731142,ZINC22_2185821,PC-id_1821438,MCULE-9917098852,EMOLS-id_6768773	438.97	CEEIGGLWNQWBBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133270
c1(c2CCCCCc2sc1NC(=O)c1ccccc1C)C(=O)Nc1cccc(Cl)c1	CoCoCo_1731203,MCULE-2987723397,ZINC22_8445632,EMOLS-id_8221323,PC-id_4545299,TIMTEC36357,SPECS-id_AG-667/13587059	438.97	VZFGFZKORYMRPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133271
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1C	PC-id_1725970,MCULE-8182216711,SPECS-id_AG-690/12883410,ZINC22_2062097,CoCoCo_81732,CK1210657,EMOLS-id_1230935,BAS-00486737	438.97	VRYWBZHGTHPHED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133272
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(cc1)C	SPECS-id_AG-690/12883447,PC-id_1725976,CoCoCo_81763,ZINC22_2062103,BAS-00486798,EMOLS-id_1230997,MCULE-3522728252	438.97	AYDZRJDTUXVMKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133273
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(C)c1	PC-id_1725978,CoCoCo_81767,ZINC22_2062105,EMOLS-id_1231005,MCULE-8009120337,BAS-00486807,SPECS-id_AG-690/12883455	438.97	BFPPSKVWEQRDFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133274
c1(c2CCCCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1Cl	CoCoCo_138209,SPECS-id_AG-690/12887515,CHEMBL1512916,ZINC22_2062344,MS2_ST015954,MCULE-8252942625,EMOLS-id_1280460,PC-id_1726160	438.97	FPQAOVBKTWFKRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133275
c1(c2CCCCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1cccc(Cl)c1	MCULE-6613037656,CHEMBL1527765,EMOLS-id_1280458,SPECS-id_AG-690/12887514,ZINC22_8440449,MS2_ST015874,PC-id_3119681,BAS-00832397,CoCoCo_138208	438.97	PIHCEHDTDLRIMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133276
C1CCCc2c(CC1)c(c(s2)N=Cc1c(ccc(c1)Cl)O)C(=O)Nc1ccccc1	PC-id_137051448	438.97	SYQYWXICAVABEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133277
c1(NC(=O)C=Cc2ccc(cc2)OCc2ccccc2Cl)sc2c(CCCCC2)n1	MCULE-4012080866	438.97	CURNTEKEHISYCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133278
Cc1ccc(c(c1)C)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1cc(s2)Cl	PC-id_69954622,SCHEMBL6991357	438.97	CYWZNEFKBDKKHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133279
Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1cc(s2)Cl)C	SCHEMBL6991936,PC-id_69954775	438.97	USDAYVNNXDIVOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133280
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1cccc(c1C)C	PC-id_69955223,SCHEMBL6993534	438.97	IUPBUVKCKIRDHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133281
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1ccc(c(c1)C)C	PC-id_69985625,SCHEMBL7091449	438.97	GKHZEUQFJUBRTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133282
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1cc(C)cc(c1)C	PC-id_69954503,SCHEMBL6990890	438.97	BHTQMWTXOURWSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133283
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1c(C)cccc1C	PC-id_69954760,SCHEMBL6991880	438.97	IZQKUVANQFFIBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133284
Clc1ccccc1COc1ccc(/C=C/C(=O)Nc2nc3CCCCCc3s2)cc1	EMOLS-id_334603380	438.97	CURNTEKEHISYCF-NTCAYCPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133285
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2c(ccc(c2)C)C)c1	PC-id_57010099	438.97	ODEQLDFJKHOSDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133286
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2c(c(ccc2)C)C)c1	PC-id_57159970	438.97	QZHYYLXXYXISTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133287
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2cc(cc(c2)C)C)c1	PC-id_57197600	438.97	AKERXYOMTQDDFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133288
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)Cc2c(cccc2)C)cc1	SCHEMBL6988324,PC-id_69953562	438.97	ZLOCSFZSKNGKDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133289
O=C(Nc1ccccc1)c1c(/N=C/c2cc(Cl)ccc2O)sc2c1CCCCCC2	ZINC22_408972154	438.97	SYQYWXICAVABEW-CVKSISIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133290
Clc1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)ccc1	PC-id_26277411	438.973	NHJHKLDBEFKSIR-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133291
Clc1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)ccc1	PC-id_26277413	438.973	NHJHKLDBEFKSIR-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133292
Clc1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)ccc1	PC-id_74494028	438.973	NHJHKLDBEFKSIR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133293
Clc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)cccc1	PC-id_42321598	438.973	VRVZJJVBVVSONK-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133294
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)cccc1	PC-id_42321608	438.973	VRVZJJVBVVSONK-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133295
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cccc1	PC-id_74792003	438.973	VRVZJJVBVVSONK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133296
Clc1ccc(S(=O)(=O)N2CCN(CC2)C(=O)c2sc3c(CCCCC3)c2)cc1	PC-id_18292863	438.991	HFOVEFBFXRSSDK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133297
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1OC	PC-id_19677585	438.991	UJWMBGPBYJLASO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133298
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(OC)cc1	PC-id_20415130	438.991	MWWPEUDJCZXCOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133299
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1OC	PC-id_19677578	438.991	FHLQPAAXWCIIED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133300
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(OC)cc1	PC-id_20415123	438.991	IXNQEKINFKIKCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133301
O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1	MCULE-4980047962,EMOLS-id_3620946,PC-id_17434918,ZINC22_9052974,CoCoCo_3278677	438.991	KCRVASKVZMWJCA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133302
ClC(=Cc1ccccc1)C[NH+]1CCn2c(nnc2[C@H](NS(=O)(=O)C)C(C)C)CC1	PC-id_42407327	438.995	CSKHJVDNWQPQBI-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133303
ClC(=Cc1ccccc1)C[NH+]1CCn2c(nnc2[C@@H](NS(=O)(=O)C)C(C)C)CC1	PC-id_42407328	438.995	CSKHJVDNWQPQBI-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-133304
ClC(=Cc1ccccc1)C[NH+]1CCn2c(nnc2C(NS(=O)(=O)C)C(C)C)CC1	PC-id_74801162	438.995	CSKHJVDNWQPQBI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133305
Brc1cc(Cc2c3nc([nH]c3ccnc2=O)C)cc(Br)c1OC	PC-id_59488625	439.101	UGSMJCFAJFEGKR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133306
COc1c(Br)cc(cc1Br)Cc1c(=O)[nH]ccc2-c1nc(n2)C	SCHEMBL7601550	439.101	OCROBBGTPGAELX-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-133307
COC1=NN(C=C1NC(=O)C2=CSC(=N2)C3=CNN=C3)CC4=NN=C5N4CCCCC5	PC-id_165129930	439.154	QPGPYSLPHRLWCJ-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-133308
CC(C)C(C(=O)CC1CC2=CN=C(O2)CNC(=O)C1=O)NC(=O)OCCOCCOC	PC-id_147153611	439.195	BULOQMIEDFDPJR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133310
CCCC[Sn](c1nn(c2c1CCCCC2)C)(CCCC)CCCC	PC-id_71280292,SCHEMBL14738240	439.257	ACFCLGJVMXHQIF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133311
CCC/C=CC(=C(/C=C)C(=C/CC)C=C
/C(=C)NC/2=N/C(=C(C(=C/C=C12)C)/C(=C)C=N)/C)C	PC-id_153557085	439.299	LMJNPJBRHWSMGC-BUHQUQMQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-133312
CC(C)(C)NC(=O)c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)Cl	PC-id_86345836,SCHEMBL16100481	439.336	AUWDCQMXDYRYHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133313
Brc1sc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_45630260	439.347	OLNTXHDIFVXPHW-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-133314
Clc1c(OC)c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc(Cl)c1	PC-id_4024699	439.355	AGKAUURXWOPQSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133315
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_1850033,PC-id_1616163	439.355	AGKAUURXWOPQSL-BQYQJAHWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133316
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1)COCC(F)(F)F	PC-id_19523859	439.355	DTRCCINAWHXHEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133317
CN(CCOc1ccc(Br)cc1)C(=O)CSc1nnc2n1CCCCC2	CoCoCo_4054298,EMOLS-id_27364596,PC-id_34392200,MCULE-9941115531,ZINC22_27090757	439.37	WZWPIZVRJDNVAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133318
Brc1ccc2-c(c(c(c2C(=O)OCC)O[Si](C)(C)C)C(=O)OCC)cc1	PC-id_58671977	439.372	SJFZXYAXSYLWHK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-133319
CCC(C(=O)O)OC1CCCCc2c1n(Cc1ccc(c(c1)Cl)Cl)c(n2)C(C)C	SCHEMBL2512063,PC-id_67434834	439.375	CCEHQDXQPHAVKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133320
CCOC(=O)COC1CCCCc2c1n(Cc1ccc(c(c1)Cl)Cl)c(n2)C(C)C	SCHEMBL12199427,PC-id_58460187	439.375	OASOUUWAKPDMFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133321
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)c(Cl)c2c(cc(cc2)Cl)s1	CoCoCo_906852,TIMTEC265928,PC-id_1746340,MCULE-4647145051,EMOLS-id_2201914,ZINC22_2088509,SPECS-id_AK-968/15360964	439.379	KMGBNHXTVWVQCJ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-133322
CCNC(=NCC(c1cc(Cl)cc(c1)Cl)O)NCCc1nnc2n1CCCCC2	PC-id_109492690	439.382	YGVMREFJWXGXOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133323
Brc1ccc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_20408846	439.39	DBXHYISCQVDVBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133324
Brc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_20409053	439.39	VEXJDDGIAWSSSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133325
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1	PC-id_20409208	439.39	VHHIAPKTAHGYGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133326
CC(C)COc1c(cc(cc1)OC(F)(F)P)Cn1c2c(C=C(CCN2)C(=O)O)cn1	PC-id_137397426,SCHEMBL20628892	439.393	IDACUJZDSSKOLK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133327
C1(Cl)(Cl)CC1c1ccc(cc1)OC(C)(C)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-5794769492,EMOLS-id_323374897	439.398	BECSBAPKOFFGAY-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-133328
CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(s1)CCCCCC2	PC-id_24553211,ZINC22_12398729,CoCoCo_4343671,MCULE-9664823618,EMOLS-id_44003185	439.398	ZEBIMOMKSQJSCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133329
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1cccc(F)c1	PC-id_121358718,SCHEMBL17777776,BindingDB-id_731704	439.403	TYKZFOWORXSXLN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133330
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)cc1	SCHEMBL17777947,BindingDB-id_731698,PC-id_121358875	439.403	OAUNMWBDRZRXQR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133331
s1c2CCCCCc2c(c1NC(=O)COc1c(cc([N+](=O)[O-])cc1)C(F)(F)F)C#N	PC-id_60586209	439.408	QPBMBEJUAOPZMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133332
CN=C(N(Cc1ccc(s1)Br)C)NCCCc1nnc2n1CCCCC2	PC-id_111363509	439.416	SCNMGTBIGBMMFV-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-133333
CCOC(=O)Cc1cc2n(n1)CCCN(C2)C(=O)OCc1cc(C)cc(c1)C(F)(F)F	SCHEMBL16129792,PC-id_117616602	439.428	UJUQTRDXVVRIFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133334
s1c2CCCCCCc2nc1NC(=O)c1nnn(c1C(F)(F)F)c1ccc(F)cc1	PC-id_56242038	439.43	PDLXZQCNKOHPDW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133335
s1c2CCCCCCc2nc1NC(=O)c1nnn(c1C(F)(F)F)c1cc(F)ccc1	PC-id_56257807	439.43	VCUGQHXELSQUID-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133336
FC(F)(F)c1cc(N2CCOCC2)ccc1NC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55795199	439.431	PTEDWKRKKXZPAY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133337
FC(F)(F)C(=O)N(Cc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1)CC	PC-id_55674295	439.431	HPCCXFCAZUJDIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133338
NNc1ccccc1Cc1nc2c([nH]1)CC=C(C=C2)C(=O)NCc1cc(F)c(c(c1)F)F	PC-id_142236479	439.433	WPGUBUPJRGGLNT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133339
CNC(=O)c1c(cc(cc1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580354,SCHEMBL14966035	439.44	IOOLJBQWSGNSPL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133340
Fc1cccc(c1)CNC(=O)c1ccc(cc1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_71570742,SCHEMBL14965722	439.44	CMFYJNPRRXSBRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133341
Fc1cccc(COC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)c1	SCHEMBL17112963,PC-id_118394524,BindingDB-id_913878	439.443	NBUPLPLOLPUNAJ-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-133342
Fc1ccc(COC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1	PC-id_118394536,BindingDB-id_913877,SCHEMBL17112976	439.443	MXSFTQSOVZLBEH-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-133343
Clc1cccc(N2CCN(CCCCN3CCc4ncsc4CC3)CC2)c1Cl	CHEMBL4439577	439.445	PWBXUBVXWIRMLW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133344
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(c2ccc(cc2)OC(F)(F)F)C1	MCULE-3776261416,EMOLS-id_323419537	439.451	NEUSAYQHFUWAOB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133345
CN=C1C(=C([N+]#C)N2CCCC2COc2c(n(c3=CC=CC(C=c23)F)C)C(=O)O)NC=N1	PC-id_136601547	439.463	NTQOVRLPEWKHSV-UHFFFAOYSA-O	00000011100000000111000000000010000000000000000000000000	31-01-133346
O1c2cc(CN3CCn4c(nnc4C(NC(=O)c4occc4)C)CC3)cc(OC)c2OC1	PC-id_45166880	439.464	JKKBTIRVZDAMSF-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-133347
O=c1n2CCCCCc2nn1CC(=O)N(c1c(n(Cc2ccccc2)c(=O)[nH]c1=O)N)C	PC-id_55478809	439.468	UFYTUFSKXKYTFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133348
O=c1n2CCCCCc2nn1CC(=O)Nc1cn(nc1)CC(=O)Nc1ccc(OC)cc1	PC-id_56223693	439.468	WRWKULKNFZYNSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133349
CC(c1c2-c(ccccc2)cc1)NCCCc1ccc(o1)c1ccc(cc1)OC(F)(F)F	PC-id_87586480	439.469	VUYPCHPVZUPCFW-UHFFFAOYSA-N	00000010101000110110100000000010000000000000000000000000	31-01-133350
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCc1cc(OCC)c(OCC)cc1	PC-id_19523723	439.471	SEJWFGMIIRVKRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133351
COCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1ccccc1C(F)(F)F)C(C)C	CoCoCo_1275854,CoCoCo_1275855	439.475	MAGSSSONQAXUJF-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133352
COCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1ccccc1C(F)(F)F)C(C)C	CoCoCo_1275856,CoCoCo_1275857	439.475	MAGSSSONQAXUJF-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-133353
FC(F)(F)c1cc(CN(C(=O)Cn2nc3n(CCCCC3)c2=O)CCN(C)C)ccc1	PC-id_56174087	439.475	WDARZQFCHDYCTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133354
FC(F)(F)c1c(CN2CCn3c(nnc3CC2)C(NC(=O)COC)C(C)C)cccc1	PC-id_45194251	439.475	MAGSSSONQAXUJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133355
CCC(c1nnc2n1CCCCC2)NC(=O)N1CCC(CC1)n1ccc(n1)C(F)(F)F	EMOLS-id_320341264,PC-id_139000520,MCULE-5741266753	439.478	LASQAEDQVJPZOX-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-133356
CC[C@H](NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)c1nnc2n1CCCCC2	ZINC22_497856823	439.478	LASQAEDQVJPZOX-HNNXBMFYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-133357
CC[C@@H](NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)c1nnc2n1CCCCC2	ZINC22_497856824	439.478	LASQAEDQVJPZOX-OAHLLOKOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-133358
COc1c(cc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)NCc1cc(ccc1)F)OC	PC-id_134805578	439.479	OJPFCJXEDASYJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133359
[Na+].c12-c(c(cc1C(=O)[O-])CCC/C=NNC(=O)Nc1ccccc1)ccc(cc2)C(C)C	CHEMBL297315	439.482	JHLRITCPWGUIOT-JCYJKQRTSA-M	00000010100000110110000000000010000000000000000000000000	31-01-133360
Cc1c([nH]c2c1C(=O)N(CCC2)CCN(C)C)C=C1c2cc(cc(c2NC1=O)NC=O)F	SCHEMBL3135268,PC-id_86640167	439.483	WZDJKDGJELEPGO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-133361
COc1cccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)c1O	ZINC22_19300750,MCULE-2492631665,EMOLS-id_20602391,CoCoCo_1421731,CoCoCo_1421730,PC-id_28133927	439.483	GTEYAWLPQDRRQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133362
COc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)c(O)c1	CoCoCo_1383912,MCULE-2378267909,EMOLS-id_20576989,PC-id_26347094,CoCoCo_1383913,ZINC22_14992086	439.483	RHSCQDCVBLCBAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133363
COc1cccc(OC)c1CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1	PC-id_28956344,MCULE-2868593977,CoCoCo_1241633,CoCoCo_1241632,EMOLS-id_20479217,ZINC22_20453458,ChEMBL-DNDi_CHEMBL23924463	439.483	FFKMURYNKXWSKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133364
COc1cc(CN2CCc3nnc(CNC(=O)c4ccccc4OC)n3CC2)ccc1F	PC-id_42378704,CoCoCo_1137971,CoCoCo_1137972,ZINC22_12052220,MCULE-3493404118,EMOLS-id_20404662	439.483	YDQNURKNHIKTIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133365
COc1cc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc(OC)c1	EMOLS-id_20450609,CoCoCo_1201146,ChEMBL-DNDi_CHEMBL19079715,ZINC22_14881839,PC-id_26277524,CoCoCo_1201147,MCULE-3165157531	439.483	ZUROIWUAURGSPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133366
COc1cc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)ccc1O	CoCoCo_1229463,ZINC22_20450391,CoCoCo_1229464,EMOLS-id_20470697,PC-id_28954233,MCULE-8661800579	439.483	IQFOUBUATVIQND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133367
Fc1cc2/C(=C/c3[nH]c4CCCN(C(=O)c4c3C)CCN(C)C)/C(=O)Nc2c(NC=O)c1	SCHEMBL3135256,PC-id_25114922	439.483	WZDJKDGJELEPGO-WJDWOHSUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-133368
n12CCN(CCc1nnc2CNC(=O)c1cccc(F)c1)Cc1ccc(cc1)OCCO	MCULE-7872223755,EMOLS-id_20477275,ChEMBL-DNDi_CHEMBL23563004,CoCoCo_1238758,CoCoCo_1238757,PC-id_42237033,ZINC22_11869616	439.483	BPMOSBSIOCFVQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133369
Fc1ccc(C(=O)c2n3c(c(c2C)C=C(c2n4CCCCCc4nn2)C#N)cccc3)cc1	MCULE-8714928307,PC-id_4091008,EMOLS-id_317335085	439.484	ZCEDZHSPGITWIL-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-133370
Fc1ccc(C(=O)c2n3c(c(c2C)/C=C(/c2n4CCCCCc4nn2)C#N)cccc3)cc1	PC-id_6007516	439.484	ZCEDZHSPGITWIL-XDJHFCHBSA-N	00000000100000110101000001000010000000000000000000000000	31-01-133371
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)/C=C/c1cc([N+](=O)[O-])ccc1)C)C#N	PC-id_55416747	439.484	QLXCZRGKBACVJZ-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133372
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=Cc1cc([N+](=O)[O-])ccc1)C)C#N	PC-id_76236089	439.484	QLXCZRGKBACVJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133373
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCn1c2c(oc1=O)cccc2)C#N	PC-id_27705723	439.484	JCRKGBSJUGNXNT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-133374
O(c1cc(C[NH+]2CCn3c(nnc3CNC(=O)c3ccncc3)CC2)cc(OC)c1O)C	PC-id_42422846	439.488	LUQBBSYMGQEWNV-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-133375
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(n2ccnc2)cc1	PC-id_52465654	439.488	ZSUNJPXVFWZQFM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133376
O=C(CSc1nnc2n1CCCCC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1	MCULE-4381746877,ZINC22_12515268,CoCoCo_4054332,EMOLS-id_15274888,PC-id_17487782	439.498	DHJWUQBIQKKTJI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133377
O=C(CSc1nnc2n1CCCCC2)Nc1cc(C(F)(F)F)ccc1N1CCCC1	EMOLS-id_11783505,PC-id_16340694,CoCoCo_4054337,MCULE-7979155800,ZINC22_9416243	439.498	ICICCFICLNXKLR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133378
O=C(Nc1nc2c(s1)CCCCC2)NC1CCN(CC1)c1ccc(cn1)C(F)(F)F	PC-id_112826066	439.498	KGXNUNAAZAWQEU-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-133379
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccc(cc3C)C)CCn12	PC-id_45171484,EMOLS-id_20404666,MCULE-1368337514	439.501	XQSJAJZELPKLMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133380
Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)c(C)c1	PC-id_30854058,CoCoCo_1137973,ZINC22_23130295,CoCoCo_1137974	439.501	XQSJAJZELPKLMF-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133381
Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)c(C)c1	PC-id_30854060,ZINC22_23130298,CoCoCo_1137975,CoCoCo_1137976	439.501	XQSJAJZELPKLMF-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133382
Cc1ccc(C(=O)NCCc2nnc3CCN(Cc4cccc(F)c4F)CCn23)c(C)c1	EMOLS-id_20467497,MCULE-9115814368,PC-id_28953319,CoCoCo_1224757,ZINC22_20449018,CoCoCo_1224758	439.501	LIBAEBBXUXFPQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133383
CC(CCN1CCc2nnc(CNC(=O)c3c(F)cccc3F)n2CC1)c1ccccc1	PC-id_45177483,EMOLS-id_20430517,MCULE-1200454284	439.501	QSJPUVCYZIWTPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133384
C[C@H](CCN1CCc2nnc(CNC(=O)c3c(F)cccc3F)n2CC1)c1ccccc1	PC-id_42366858,ZINC22_12035598,CoCoCo_1173312,CoCoCo_1173314	439.501	QSJPUVCYZIWTPI-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133385
C[C@@H](CCN1CCc2nnc(CNC(=O)c3c(F)cccc3F)n2CC1)c1ccccc1	ZINC22_12035592,CoCoCo_1173315,PC-id_42366854,CoCoCo_1173313	439.501	QSJPUVCYZIWTPI-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133386
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2	CoCoCo_1366648,CoCoCo_1366647,ZINC22_14986894	439.501	HTYAHQDIINXDJZ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133387
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2	CoCoCo_1366649,ZINC22_14986896,CoCoCo_1366650	439.501	HTYAHQDIINXDJZ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133388
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2	CoCoCo_1386583,CoCoCo_1386582,ZINC22_14992819,PC-id_26347953	439.501	ADEBNJGLPDIZDB-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133389
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2	PC-id_26347955,CoCoCo_1386584,ZINC22_14992820,CoCoCo_1386585	439.501	ADEBNJGLPDIZDB-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133390
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2	CoCoCo_1455140,CoCoCo_1455139,ZINC22_14966022	439.501	YLTMAXAQUMTXBD-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133391
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1c(F)cccc1F)CC2	ZINC22_14966017,CoCoCo_1455137,CoCoCo_1455138	439.501	YLTMAXAQUMTXBD-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133392
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3cccc(F)c3F)CCn12	ChEMBL-DNDi_CHEMBL42005564,PC-id_45208506,MCULE-6085543856,EMOLS-id_20565607	439.501	HTYAHQDIINXDJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133393
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccc(F)c(F)c3)CCn12	ChEMBL-DNDi_CHEMBL45277728,EMOLS-id_20578753,PC-id_45211588,MCULE-8183906697	439.501	ADEBNJGLPDIZDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133394
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3c(F)cccc3F)CCn12	PC-id_45222448,ChEMBL-DNDi_CHEMBL57368191,EMOLS-id_20624793,MCULE-8822972905	439.501	YLTMAXAQUMTXBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133395
NCCOc1ccc(cc1[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1cc2-c(c1)ccccc2	PC-id_58786214,SCHEMBL14590139	439.501	SOKWTRXJVSQQSR-RXFVIIJJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-133396
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OCCN	PC-id_72423698	439.501	SOKWTRXJVSQQSR-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-133397
OC(=O)CCCOc1ccccc1NC(=O)c1cc(c2-c1ccccc2)Cc1ccccc1	PC-id_139818327	439.502	BRPWPUNOTMREPO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133398
s1c2CCCCCc2nc1NC(=O)c1c(OCC(=O)Nc2c(F)cccc2)cccc1	PC-id_55508130	439.502	QRIUWQBCNMVBIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133399
Cc1c(c(c2-c1ccccc2)CCc1ccccc1Br)[Si](C)(C)C(C)(C)C	PC-id_134981967	439.503	ZBPCYJJVGDDCKV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133400
O=C(CNS(=O)(=O)c1ccccc1)NCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	GD-id_ZINC29405330	439.504	KYCGILYIUBZEPU-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-133401
Fc1c(C[NH+]2CCn3c(nnc3CNC(=O)CCc3cccnc3)CC2)cc(OC)cc1	PC-id_42166383	439.506	STGFTFTYMUABJU-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-133402
O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)Nc1nc2c(s1)CCCCCC2	ZINC22_111179406,PC-id_56571520	439.506	CFYCBIWVCSONLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133403
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c([N+](=O)[O-])cc(OC)cc1	PC-id_24621816	439.506	TZGKMKPBQFROSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133404
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)ccc([N+](=O)[O-])c1	PC-id_35972354	439.506	IBZDLJBSDPECRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133405
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(c(OCC)c3)OC)CCn12	PC-id_45199685,EMOLS-id_20527251,MCULE-8135411001	439.507	HBRGXOJXNGBYBE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133406
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3cc(OC)cc(OC)c3)CCn12	ChEMBL-DNDi_CHEMBL34237614,CoCoCo_1315947,EMOLS-id_20531015,CoCoCo_1315946,MCULE-9178811766,PC-id_42422553,ZINC22_12130244	439.507	AMUWZDSNEVCUGW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133407
c1(C(=O)NCCNC(=O)C2CC(=O)N(c3cccc(OC)c3)C2)c2CCCCCc2[nH]n1	EMOLS-id_323252922,MCULE-8545319218	439.507	GJMBHFHXXYERLA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133408
Cc1cccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)N2CCOCC2)c1	EMOLS-id_25387618,MCULE-9253765185,PC-id_46049760	439.507	VIFZGOWULJXDSS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133409
Cc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)N2CCOCC2)cc1	PC-id_46049716,MCULE-6559010114,EMOLS-id_25387648	439.507	CXIVXIKGWGVBHO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133410
CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3ccc(COC)o3)n2CC1	MCULE-4877074376,PC-id_28955534,CoCoCo_1237122,ChEMBL-DNDi_CHEMBL23359633,CoCoCo_1237121,ZINC22_20452284,EMOLS-id_20476091	439.507	GSCCFUNBAKDERN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133411
CCOc1ccc(CN2CCc3nnc(CNC(=O)c4ccc(COC)o4)n3CC2)cc1	CoCoCo_1274642,MCULE-2132190130,EMOLS-id_20502183,CoCoCo_1274643,ChEMBL-DNDi_CHEMBL28264803,PC-id_29088349,ZINC22_20601109	439.507	VETJVIGVGWDHOS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133412
CCOc1cc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)ccc1OC	MCULE-1368686056,CoCoCo_1410851,PC-id_26358705,ZINC22_15002859,EMOLS-id_20595111,CoCoCo_1410852	439.507	NNXRCVMQCYSKHW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133413
CCOc1cc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)ccc1OC	ChEMBL-DNDi_CHEMBL12102483,PC-id_30853755,ZINC22_23130028,EMOLS-id_20403474,MCULE-8285488911,CoCoCo_1136421,CoCoCo_1136420	439.507	NKJQMBCNWFZMCX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133414
CCOc1cc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)ccc1OC	ZINC22_20906230,CoCoCo_1310781,PC-id_29209095,CoCoCo_1310782	439.507	HBRGXOJXNGBYBE-MRXNPFEDSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133415
CCOc1cc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)ccc1OC	ZINC22_20906231,CoCoCo_1310784,PC-id_29209096,CoCoCo_1310783	439.507	HBRGXOJXNGBYBE-INIZCTEOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133416
CN(CC(=O)N1CCOCC1)C(=O)c1cc2C(=O)N(Cc3ccccc3C)CCCn2n1	EMOLS-id_25387642,MCULE-7074742878,PC-id_46049771	439.507	CISLXNTZVPHIHR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133417
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c(OC)c1C	CoCoCo_1199802,MCULE-7482191036,CoCoCo_1199803,ZINC22_14881523,PC-id_26277119,EMOLS-id_20449645,ChEMBL-DNDi_CHEMBL18921234	439.507	DYXCTQKVPQVOKH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133418
COc1cc(CN2CCc3n(CC2)c(nn3)[C@H](NC(=O)c2ccoc2C)C)cc(c1)OC	CoCoCo_1221213,CoCoCo_1221212,PC-id_42163085	439.507	VLAHTJLOEFFASB-OAHLLOKOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133419
COc1cc(CN2CCc3n(CC2)c(nn3)[C@@H](NC(=O)c2ccoc2C)C)cc(c1)OC	CoCoCo_1221214,PC-id_42163087,CoCoCo_1221215	439.507	VLAHTJLOEFFASB-HNNXBMFYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133420
COc1cc(CN2CCc3n(CC2)c(nn3)C(NC(=O)c2ccoc2C)C)cc(c1)OC	PC-id_45185486,ChEMBL-DNDi_CHEMBL21456823	439.507	VLAHTJLOEFFASB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133421
COCc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(OC)cc4)n3CC2)o1	ChEMBL-DNDi_CHEMBL77815833,EMOLS-id_20690283,PC-id_25328198,CoCoCo_1555591,ZINC22_20351979,CoCoCo_1555592,MCULE-7814586202	439.507	QDVSEAWFCOMIIE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133422
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(OC)c(C)c2)CC3)o1	ChEMBL-DNDi_CHEMBL39597980,ZINC22_20997818,MCULE-3302612699,CoCoCo_1351530,EMOLS-id_20555371,CoCoCo_1351531,PC-id_29257448	439.507	SKCYCXQNOROOIU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133423
COCCNC(=O)[C@@H]1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_93332272	439.507	PUBAMOXFNKCVAM-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-133424
COCCNC(=O)[C@H]1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_93332273	439.507	PUBAMOXFNKCVAM-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133425
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)C(=O)c1ccc2c(OCO2)c1	ZINC22_12079778,CoCoCo_1533638,EMOLS-id_20676003,MCULE-7390869371,PC-id_42398561,ChEMBL-DNDi_CHEMBL73054792	439.507	KHBTXVYDACEHRE-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-133426
O1C(CCC1)CNC(=O)CNC(=O)c1nn2CCCN(Cc3ccc(cc3)C)C(=O)c2c1	PC-id_42854975	439.507	HDJQAELGNLWBBT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133427
O1C(CCC1)CNC(=O)CNC(=O)c1nn2CCCN(Cc3cc(ccc3)C)C(=O)c2c1	PC-id_42854992	439.507	ZQPVEUSEPKUQJA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133428
O1C(CCC1)CNC(=O)CNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1	PC-id_42855023	439.507	BPSNOFQNIZKQKU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133429
O1C(CCC1)CNC(=O)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)C	PC-id_46049563	439.507	YQCJFGRIGZQUQB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133430
O1C(CCC1)CNC(=O)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)C	PC-id_46049571	439.507	JYWYFTJHTJOBCJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133431
O1CCN(CC1)C(=O)CCNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1	PC-id_46049789	439.507	HAAPEDATQJHVQE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133432
O1CCN(CC1)C(=O)C(NC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_46159935	439.507	MGCSUVBURGQGFI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133433
O1CCN(CC1)C(=O)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_46049679	439.507	DKQGLLREFKBPIJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133434
O1CCN(CC1)C(=O)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)C	PC-id_46049726	439.507	SSHGWSJTAVXXFA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133435
O1CCN(CC1)C(=O)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)C	PC-id_46049739	439.507	NKNARUMHRHLKRF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133436
O1CCN(CC1)C(=O)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_46159912	439.507	CHNCOVHKEIBOKV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133437
Oc1c(CN2CCn3c(nnc3CC2)C(NC(=O)c2ccoc2)C(C)C)cc(OC)cc1	PC-id_45186515	439.507	QCZKRFCXABDUIU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133438
O=C(N1C(CCC1)C(=O)NCCOC)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049862	439.507	PUBAMOXFNKCVAM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133439
N#C/C(=C(/c1ccccc1)OCC(=O)N1CCc2c1cccc2)/c1nnc2n1CCCCC2	CoCoCo_3165189,PC-id_5955512	439.509	DUOFNIFUXJCFQL-NJNXFGOHSA-N	00000010100000110101000000001010000000000000000000000000	31-01-133440
N#C/C(=C(c1ccccc1)/OCC(=O)N1CCc2c1cccc2)/c1nnc2n1CCCCC2	CoCoCo_3165190	439.509	DUOFNIFUXJCFQL-DAFNUICNSA-N	00000010100000110101000000001010000000000000000000000000	31-01-133441
O(CC(=O)N1CCc2c1cccc2)C(=C(c1n2CCCCCc2nn1)C#N)c1ccccc1	PC-id_3912705	439.509	DUOFNIFUXJCFQL-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-133442
O=C1NC(NC(C1)CC)c1cc(NC(=O)C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_75136202	439.511	OHROYRTTWHHXCO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133443
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1nc(sc1)c1ncccn1)C#N	PC-id_56109794	439.511	RMIJFJROJLDDKV-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-133444
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OC	MCULE-5549055122,ZINC22_16047986,PC-id_16799536,ChEMBL-DNDi_CHEMBLF2536-1283,CoCoCo_5138237,EMOLS-id_5565382	439.521	OQEDMTGKQNSHBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133445
c1(NC(=O)CS(=O)(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_16048030,MCULE-1794873820,CoCoCo_5138502,ChEMBL-DNDi_CHEMBLF2536-1834,EMOLS-id_5565724,PC-id_16799556	439.521	SQSTZJNTYHBGFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133446
CCn1ccc2c1C(=O)N(CCCN1CCC(CC1)C(=O)c1ccc(cc1)F)CCC2=O	PC-id_20083226,SCHEMBL6998095	439.522	VRQIGQKMXCBJSS-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133447
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCn1cc2c(c1)C(=O)CCN(C2=O)C	SCHEMBL6992055,PC-id_22011289	439.522	PLUQOXYUEKLAQQ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133448
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCn1ccc2c1C(=O)CCN(C2=O)C	PC-id_22011279,SCHEMBL6996176	439.522	ZGYYLAHYDYPIHY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133449
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCn1ccc2c1C(=O)N(C)CCC2=O	SCHEMBL9040411,PC-id_11797339	439.522	NYICKYQXMRDEPG-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133450
CC(C)c1ccc2-c(c(cc2CCCC(=O)NS(=O)(=O)c2ccccc2)C(=O)O)cc1	PC-id_44292085,BindingDB_PC-id_44292085,CHEMBL413055	439.524	OMSNLRUOTIMQAS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133451
O=C(NNC(=O)c1cc2c(s1)CCCCC2)CCNS(=O)(=O)c1ccccc1F	MCULE-6328113996,CoCoCo_3430039,EMOLS-id_43872953,PC-id_31845802	439.524	KWGIBZLBBIULEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133452
s1c2CCCCCc2cc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(F)cc1	PC-id_24554138	439.524	SZVBCQPRHIHLSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133453
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1c(F)cccc1)C	PC-id_24554136	439.524	ZAXJZDYENMFCLA-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133454
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NS(=O)(=O)c1c(F)cccc1)C	PC-id_74295188	439.524	ZAXJZDYENMFCLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133455
Cc1ccc([C@@H](C)CCN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1	ZINC22_12205629,CoCoCo_1269907,CoCoCo_1269909	439.526	ZIFXFCCCLGKBPA-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133456
Cc1ccc([C@H](C)CCN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1	ZINC22_12205639,CoCoCo_1269908,CoCoCo_1269910	439.526	ZIFXFCCCLGKBPA-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133457
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)[O-])cc(c(=O)c(c2)C)C	GLL_PC-id_9803288	439.526	BSAMYJKELWMXMY-UHFFFAOYSA-M	00000000100000110111100000000010000000000000000000000000	31-01-133458
CC(CCN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1)c1ccc(C)o1	EMOLS-id_20499025,PC-id_45193301,MCULE-3180599023	439.526	ZIFXFCCCLGKBPA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133459
Cc1c(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c(=O)n(c2ccccc2)n1C	ZINC22_13148310,CoCoCo_2861442,EMOLS-id_43703971,MCULE-5787897306,PC-id_16249916	439.527	ZBBZKCFWOGFPSK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133460
CC(C)N1CCCn2cc(cc2C1=O)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1	MCULE-4619527297,PC-id_53182975,EMOLS-id_33088006	439.527	ITSHFYZZRHQXFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133461
CCO[P+](C(c1cc(c2-c1c(C)ccc(c2)C(C)C)C)Nc1ccccc1)(OCC)[O-]	PC-id_101244290	439.527	VZHBBXZSNOMOTG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133462
COC(=O)C(c1ccc2c(c1)CCO2)NCC(=O)Nc1sc2c(c1C#N)CCCCC2	EMOLS-id_76024114,MCULE-7399192700,PC-id_121566776	439.527	BBVPYFSWGCPTON-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-133463
COC(=O)[C@@H](NCC(=Nc1sc2c(c1C#N)CCCCC2)O)c1ccc2c(c1)CCO2	ZINC22_328593488	439.527	BBVPYFSWGCPTON-NRFANRHFSA-N	00000010100000100100000000001010000000000000000000000000	31-01-133464
COC(=O)[C@H](NCC(=Nc1sc2c(c1C#N)CCCCC2)O)c1ccc2c(c1)CCO2	ZINC22_328593489	439.527	BBVPYFSWGCPTON-OAQYLSRUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-133465
OC(=O)C(=O)N(C1CCN(CC1)Cc1ccc(cc1)Oc1nc2c(s1)C=CCC=C2)C	PC-id_143381897	439.527	DSAGAXAZNZPGSZ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-133466
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OCc2c(onc2C)C)ccc1	PC-id_31541684	439.527	ATODRYAQXOEPKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133467
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCNC(=O)c1c(cccc1)C)C#N	PC-id_41570201	439.527	ZCINTLFUOGKUQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133468
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCNC(=O)Cc1ccccc1)C#N	PC-id_29833097	439.527	HLRVPEWVYSIPPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133469
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)[C@@H](NC(=O)c1ccccc1)C)C)C#N	PC-id_55935084	439.527	RKWQGSYXAOIUSZ-MLCCFXAWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133470
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNC(=O)c1cc(cc(c1)C)C)C#N	PC-id_29155282	439.527	HTBQBWXKNUQYCV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133471
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C(NC(=O)c1ccccc1)C)C)C#N	PC-id_76271614	439.527	RKWQGSYXAOIUSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133472
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1	PC-id_24462201	439.527	RMDVSZCQHBPAAP-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-133473
Fc1cc(c2n[nH]c(CCCN(C(=O)NCCc3n4CCCCCc4nn3)C)c2)ccc1	PC-id_56009728	439.529	DZHNQJYNNRULLK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133474
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3nnc4n3CCCCC4)c2)cc1	MCULE-4449082619,PC-id_41598961,EMOLS-id_44027525,ZINC22_10657487,CoCoCo_4480634	439.531	SQWGATHQTRGKQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133475
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3nnc4n3CCCCC4)cc2)cc1	EMOLS-id_18834671,CoCoCo_4480635,PC-id_41598962,ZINC22_10657491,MCULE-8387677861	439.531	KBROPLQDBOCPIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133476
N#Cc1c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2c1CCCCC2	ZINC22_34854129,EMOLS-id_3301624,CoCoCo_3573455,MCULE-9398136457,PC-id_4831414,CoCoCo_3573454	439.531	FMFDXZQBDUNVMR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133477
o1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ncccc3)C(C)C)CC2)ccc1COC	PC-id_42436084	439.531	NFVAJLAGMCLZKN-NRFANRHFSA-O	00000000101000101101000000000010000000000000000000000000	31-01-133478
o1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3ncccc3)C(C)C)CC2)ccc1COC	PC-id_42436085	439.531	NFVAJLAGMCLZKN-OAQYLSRUSA-O	00000000101000101101000000000010000000000000000000000000	31-01-133479
o1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3ncccc3)C(C)C)CC2)ccc1COC	PC-id_74803347	439.531	NFVAJLAGMCLZKN-UHFFFAOYSA-O	00000000101000101101000000000010000000000000000000000000	31-01-133480
O=C(N(c1ccccc1C(=O)NCc1ccco1)C)CSc1nnc2n1CCCCC2	PC-id_17520880,CoCoCo_4054285	439.531	DQPOWQDZUJZNKN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-133481
O=C(NCc1nnc2n1CCCCC2)c1cccc(S(=O)(=O)NCc2ccccc2)c1	PC-id_26112622,ZINC22_14485262,EMOLS-id_18874570,CoCoCo_4561657,MCULE-7947391026	439.531	XMNHOAUQXKCJDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133482
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1cc([N+](=O)[O-])ccc1)C#N	PC-id_55842349	439.531	GKCSSLNMEFJDJO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133483
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c([N+](=O)[O-])cccc1)C#N	PC-id_27207594	439.531	LHELKXUPPVZGMT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133484
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1CCN(CC1)c1ncccn1)C#N	PC-id_55701749	439.531	MSHXWCFYDOXSMZ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-133485
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1nnc(N2CCCC2)cc1)C)C#N	PC-id_56475325	439.531	RFXDNRQHNPEUIR-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-133486
S(=O)(=O)(Nc1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1)c1ccccc1	PC-id_55483508	439.531	LWSSNLWJRHSSCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133487
N#C/C(=c/1s/c(=Cc2ccccc2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609884,PC-id_2309327	439.532	BHRHAYFITUXFQJ-VQABENCTSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133488
N#C/C(=c
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N#C/C(=c
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N#C/C(=c/1s/c(=C/c2ccccc2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609887	439.532	BHRHAYFITUXFQJ-DTKMGKPTSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133491
N#CC(=c1sc(=Cc2ccccc2)c(=O)n1c1ccccc1)c1nnc2n1CCCCC2	PC-id_5175942,MCULE-2461886753,EMOLS-id_26144964	439.532	BHRHAYFITUXFQJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133492
O=C(Cn1cnc2c1C(=O)NNCCN2)Nc1scc(n1)c1ccc(cc1)C(C)(C)C	PC-id_144495116	439.534	UYKGLPZRAKPMID-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133493
S(CC(=O)Nc1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1)c1n(ccn1)C	PC-id_24646608	439.534	DWEPYLQDALHGOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133494
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1cc(ccc1)C(F)(F)F	PC-id_30376998	439.537	NBUKMWGZUGKDJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133495
c12c(OCC)cc(cc(=Nc3ccc(cc3)C)c1c(oc2C)C)C=Cc1ccccc1OC	PC-id_3717031,MCULE-1967578701	439.545	JSBRAJIOZGFCRR-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-133496
CCOc1cc(/C=C/c2ccccc2OC)c/c(=Nc2ccc(cc2)C)/c2c1c(C)oc2C	EMOLS-id_26368566,STOCK5S-53898,ZINC22_13540973	439.545	JSBRAJIOZGFCRR-DPPKVHKGSA-N	00000000100000110110000000000010000000000000000000000000	31-01-133497
o1c(c2c(c1C)c(OCC)cc(cc2=Nc1ccc(cc1)C)/C=C/c1c(OC)cccc1)C	PC-id_1586752	439.545	JSBRAJIOZGFCRR-SUVLHRNOSA-N	00000000100000110110000000000010000000000000000000000000	31-01-133498
COCC[C@@H]1c2ccsc2CCN([C@@H]1C(=O)OC)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966453	439.546	VSABODWMCCCETC-MJGOQNOKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133499
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCOC)C(=O)OC)c1ccc(OC)cc1	PC-id_76510460	439.546	VSABODWMCCCETC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133500
S(=O)(=O)(N1[C@H]([C@H](c2c(scc2)CC1)CCOC)C(=O)OC)c1ccc(OC)cc1	PC-id_57299837	439.546	VSABODWMCCCETC-PKOBYXMFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133501
o1nc(OC(C)C)c2C(=CCCCc12)C[C@H](NC(=O)c1ccccc1)C(=O)NC(C)(C)C	PC-id_10906297	439.547	VQJOZQBXJAJOCP-IBGZPJMESA-N	00000000100000110111000000000010000000000000000000000000	31-01-133502
o1nc(OC(C)C)c2C(=CCCCc12)C[C@@H](NC(=O)c1ccccc1)C(=O)NC(C)(C)C	PC-id_11123057	439.547	VQJOZQBXJAJOCP-LJQANCHMSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133503
o1nc(OC(C)C)c2C(=CCCCc12)CC(NC(=O)c1ccccc1)C(=O)NC(C)(C)C	PC-id_85310433	439.547	VQJOZQBXJAJOCP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133504
s1c2c(CCCCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_74551789	439.547	CFDRLVBVNYLYSL-UHFFFAOYSA-M	00000000100010110100000000000010000000000000000000000000	31-01-133505
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_28248343	439.547	CFDRLVBVNYLYSL-DLBZAZTESA-M	00000000100010110100000000000010000000000000000000000000	31-01-133506
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_28248345	439.547	CFDRLVBVNYLYSL-IRXDYDNUSA-M	00000000100010110100000000000010000000000000000000000000	31-01-133507
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_28248347	439.547	CFDRLVBVNYLYSL-IAGOWNOFSA-M	00000000100010110100000000000010000000000000000000000000	31-01-133508
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)Nc1ccccc1	PC-id_28248349	439.547	CFDRLVBVNYLYSL-SJORKVTESA-M	00000000100010110100000000000010000000000000000000000000	31-01-133509
C[C@H](OC(=O)[C@H]1CCCN1S(=O)(=O)C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4181036,ZINC22_24923728,PC-id_32231821	439.549	PHFDOJVDQBBUSZ-SWLSCSKDSA-N	00000010100000000100000000000010000000000000000000000000	31-01-133510
C[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4181038,ZINC22_18434905,PC-id_27944915	439.549	PHFDOJVDQBBUSZ-DOMZBBRYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-133511
C[C@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_27944916,CoCoCo_4181037,ZINC22_18434906	439.549	PHFDOJVDQBBUSZ-WFASDCNBSA-N	00000010100000000100000000000010000000000000000000000000	31-01-133512
C[C@@H](OC(=O)[C@H]1CCCN1S(=O)(=O)C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_32231817,ZINC22_24923724,CoCoCo_4181039	439.549	PHFDOJVDQBBUSZ-IUODEOHRSA-N	00000010100000000100000000000010000000000000000000000000	31-01-133513
COc1ccc(S(=O)(=O)NCCC(=O)Nc2nc3c(s2)CCCCC3)cc1OC	ZINC22_22375425,PC-id_30254967,EMOLS-id_30242438,MCULE-5135910217	439.549	HITWKCJNIFRWTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133514
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O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OCC(C)C	PC-id_75036383	439.549	UOJDQXZVAPFQKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133516
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC(C)(C)C	SCHEMBL13077585,PC-id_70834178	439.549	HSBSIHCZWFGKNX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133517
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCC(C)C	PC-id_75036382	439.549	MNAJUJYQFCFYAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133518
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OCC(C)C	CHEBI:112583,PC-id_44505767	439.549	UOJDQXZVAPFQKD-ZHALLVOQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133519
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OCC(C)C	CHEBI:112600,PC-id_44505565	439.549	UOJDQXZVAPFQKD-AOIWGVFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133520
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OCC(C)C	CHEBI:96396,PC-id_44505762	439.549	UOJDQXZVAPFQKD-JENIJYKNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133521
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OCC(C)C	CHEBI:96983,PC-id_44505768	439.549	UOJDQXZVAPFQKD-ZIFCJYIRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133522
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OCC(C)C	PC-id_44505574,CHEBI:112632	439.549	UOJDQXZVAPFQKD-YQVWRLOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133523
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OCC(C)C	PC-id_44505756,CHEBI:96110	439.549	UOJDQXZVAPFQKD-LMMKCTJWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133524
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OCC(C)C	PC-id_44505759,CHEBI:96247	439.549	UOJDQXZVAPFQKD-SCTDSRPQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133525
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O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCC(C)C	CHEBI:112575,PC-id_44505774	439.549	MNAJUJYQFCFYAB-AOIWGVFYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133528
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CC([C@H](C(=O)NCC(C)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332278	439.551	BKKJJCVGCCGBMS-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133556
CC([C@@H](C(=O)NCC(C)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332279	439.551	BKKJJCVGCCGBMS-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133557
CC(CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1)Cc1ccc2OCOc2c1	ChEMBL-DNDi_CHEMBL40270237,MCULE-4862254424,EMOLS-id_20558241,PC-id_45206785	439.551	PJZWINPJAMLGAY-UHFFFAOYSA-N	00001010100000100101000000001010000000000000000000000000	31-01-133558
CCCNC(=O)CCN(CC)C(=O)c1cc2C(=O)N(Cc3ccccc3C)CCCn2n1	EMOLS-id_25387792,MCULE-9323539831,PC-id_46050061	439.551	XQPGBRWMIHDNKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133559
CCCNC(=O)CCN(CC)C(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	PC-id_46049980,EMOLS-id_25388604,MCULE-9368690638	439.551	SNVQMJJKWDFECP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133560
C=CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1	CoCoCo_1243981,ZINC22_11872089,PC-id_42238938,CoCoCo_1243980	439.551	IZHOBFHKCRLLJJ-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133561
C=CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1	CoCoCo_1243982,CoCoCo_1243983,ZINC22_11872091,PC-id_42238941	439.551	IZHOBFHKCRLLJJ-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133562
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1	CoCoCo_1355907,CoCoCo_1355909,PC-id_42500393,ZINC22_12280690	439.551	PJZWINPJAMLGAY-QGZVFWFLSA-N	00001010100000100101000000001010000000000000000000000000	31-01-133563
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1	PC-id_42500395,ZINC22_12280694,CoCoCo_1355906,CoCoCo_1355908	439.551	PJZWINPJAMLGAY-KRWDZBQOSA-N	00001010100000100101000000001010000000000000000000000000	31-01-133564
CCN(CCC(=O)NC(C)C)C(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	PC-id_46049975,EMOLS-id_25388946,MCULE-5945915551	439.551	HWBSTBLCOWVVMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133565
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)CCC(=O)NC(C)C	EMOLS-id_25388938,MCULE-8280546470,PC-id_46050022	439.551	RMECKUPVEUBKIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133566
COc1ccccc1/C=CCN1CCc2n(CC1)c(nn2)[C@H](NC(=O)C1CCOCC1)C	CoCoCo_1158443,CoCoCo_1158441	439.551	GPBTZDUJXKWEQO-LZCIBIBXSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133567
COc1ccccc1/C=CCN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)C1CCOCC1)C	CoCoCo_1158447,CoCoCo_1158445	439.551	GPBTZDUJXKWEQO-YEODSOHDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133568
COc1ccccc1/C=C/CN1CCc2nnc(C(C)NC(=O)C3CCOCC3)n2CC1	EMOLS-id_25990493,PC-id_45174980	439.551	GPBTZDUJXKWEQO-FNORWQNLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133569
COc1ccccc1/C=C/CN1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1	PC-id_42439324,CoCoCo_1158444,CoCoCo_1158442,ZINC22_12164128	439.551	GPBTZDUJXKWEQO-SUQGKYDKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133570
COc1ccccc1/C=C/CN1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1	PC-id_42439329,CoCoCo_1158446,CoCoCo_1158448,ZINC22_12164134	439.551	GPBTZDUJXKWEQO-FZMUQLTDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133571
COc1ccc(CN2CCNC(=O)C2CC(=O)NCc2n[nH]c3CCCCCc23)cc1C	MCULE-3446916273,EMOLS-id_20527005,PC-id_45199627	439.551	DKZDLUXLBQFUCS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133572
COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2n[nH]c3c2CCCCC3)cc1C	CoCoCo_1310422,PC-id_25279821,ZINC22_12439695,CoCoCo_1310424,CoCoCo_1310428,CoCoCo_1310426	439.551	DKZDLUXLBQFUCS-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133573
COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2n[nH]c3c2CCCCC3)cc1C	CoCoCo_1310423,ZINC22_12439696,CoCoCo_1310429,PC-id_25279823,CoCoCo_1310425,CoCoCo_1310427	439.551	DKZDLUXLBQFUCS-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133574
COCc1ccc(C(=O)NCc2nnc3n2CCN(CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)o1	PC-id_42501286,ZINC22_12282168,ChEMBL-DNDi_CHEMBL41318079,MCULE-6563018631,CoCoCo_1362407,EMOLS-id_26005459,CoCoCo_1362406	439.551	ACGWJIWVPRZPAM-HKUYNNGSSA-N	00001000101011000101001000000010000000000000000000000000	31-01-133575
COCc1ccc(o1)C(=O)NCc1nnc2n1CCN(CC2)CC1=CC[C@@H]2C[C@H]1C2(C)C	CoCoCo_1362404,CoCoCo_1362405	439.551	ACGWJIWVPRZPAM-IEBWSBKVSA-N	00001000101011000101001000000010000000000000000000000000	31-01-133576
COCc1ccc(o1)C(=O)NCc1nnc2n1CCN(CC2)CC1=CC[C@@H](CC1)C(=C)C	CoCoCo_1286440,CoCoCo_1286442	439.551	NQOZZBIOWSKANV-IBGZPJMESA-N	00000000101011000101000000000010000000000000000000000000	31-01-133577
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(cc3)C#CC(C)(C)O)CCn12	PC-id_45195682,EMOLS-id_20509553,MCULE-3832682349	439.551	KAKWOSZGVHUCIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133578
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	CoCoCo_1284920,CoCoCo_1284921,ZINC22_11910548	439.551	KAKWOSZGVHUCIU-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133579
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	CoCoCo_1284922,CoCoCo_1284923,ZINC22_11910547	439.551	KAKWOSZGVHUCIU-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133580
o1c(C(=O)NCc2n3CCN(CC4=CCC(CC4)C(=C)C)CCc3nn2)ccc1COC	PC-id_74787076	439.551	NQOZZBIOWSKANV-UHFFFAOYSA-N	00000000101011000101000000000010000000000000000000000000	31-01-133581
O=C1N(CCCn2nc(cc12)C(=O)N(CC(C)C)CCC(=O)NCC)Cc1ccccc1	PC-id_46049917	439.551	MCNWZPYRCQUFRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133582
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)N(CC)C)Cc1ccccc1	PC-id_42854959	439.551	WUCXVBDRSWGTID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133583
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NC(C)C)Cc1ccccc1	PC-id_46049899	439.551	IWPLOBFFKUXMAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133584
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NCCC)Cc1ccccc1	PC-id_46049908	439.551	MQDHKYBOZRENGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133585
O=C1N(CCCn2nc(cc12)C(=O)NC(C(C)C)C(=O)NC(CC)C)Cc1ccccc1	PC-id_46159962	439.551	OHKBKKIPWIBPHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133586
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCCC(C)C)Cc1c(cccc1)C	PC-id_42855033	439.551	LRJXRJQXHKBGGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133587
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)N(CC)C)CC)Cc1cc(ccc1)C	PC-id_46049755	439.551	SSAXBJQEGKDGCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133588
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NC(C)C)CC)Cc1c(cccc1)C	PC-id_46050057	439.551	LIAIEKJJVYOELP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133589
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NC(CC)C)CC)Cc1ccccc1	PC-id_46159969	439.551	BDXJAEBIKLJCKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133590
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCC(C)C)C)Cc1ccc(cc1)C	PC-id_42854972	439.551	QPOLPQFJSDFLDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133591
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCC(C)C)C)Cc1c(cccc1)C	PC-id_42855009	439.551	SFKOZXVZXSGJFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133592
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCC(C)C)C)Cc1c(cccc1)C	PC-id_42855017	439.551	YERONTRPLLBEDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133593
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCC(C)C)C)Cc1cc(ccc1)C	PC-id_46049724	439.551	RJMWBXOWHFGRNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133594
O=C(N1CCC(NC(=O)Cn2nc3n(CCCCC3)c2=O)CC1)C(CC)c1ccccc1	PC-id_56290048	439.551	LQFFZBKOVKPNCS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133595
O=C(N(C1CCN(CC1)C(=O)c1ccccc1)CCC)Cn1nc2n(CCCCC2)c1=O	PC-id_56364816	439.551	MVQUIIPBZZSCQW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133596
O=C(NCc1n2CCN(CC3=CCC4C(C3C4)(C)C)CCc2nn1)c1oc(cc1)COC	PC-id_74808275	439.551	ACGWJIWVPRZPAM-UHFFFAOYSA-N	00001000101011000101001000000010000000000000000000000000	31-01-133597
O=C(NCCc1n2CCCCCc2nn1)C1CCCN(C1)C(=O)CCOc1ccccc1	PC-id_60553825	439.551	YPCDIZCGQGJNGX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133598
O=C(NCCc1n2CCCCCc2nn1)[C@H]1CCCN(C1)C(=O)CCOc1ccccc1	PC-id_52722801	439.551	YPCDIZCGQGJNGX-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-133599
O=C(NCCc1n2CCCCCc2nn1)[C@@H]1CCCN(C1)C(=O)CCOc1ccccc1	PC-id_52722802	439.551	YPCDIZCGQGJNGX-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133600
CCn1nc2CCC(CCn2c1=O)C(=O)N1CCN(CC1)S(=O)(=O)c1cccs1	EMOLS-id_207877041,MCULE-3826924907	439.552	HHOSOAROEGANQA-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-133601
CN(S(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CC1)Cc1nnc2n1CCCCC2	EMOLS-id_257905832,PC-id_40059041,CoCoCo_4834210,MCULE-3549804938	439.552	TVVZSFWIWIUFQV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-133602
COc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1S(=O)(=O)N(C)C	MCULE-3143742118,EMOLS-id_11762712,CoCoCo_4054361,PC-id_16327167,ZINC22_9792642	439.552	IWFGOTALPRDPCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133603
COc1ccccc1n1cnnc1SCC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-1491308290,EMOLS-id_43790011,ZINC22_9647274,CoCoCo_3137281,PC-id_4814591	439.554	RRMCHXIUTHERDA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133604
s1c2CCCCCc2c(c1NC(=O)CSc1nc([nH]n1)c1ccc(OC)cc1)C#N	PC-id_24369948	439.554	HIIUCFJJFCLBIB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133605
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1occc1)CC=C)C#N	PC-id_19724268	439.554	MVVYLXSOHQWBQR-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-133606
Fc1ccc(Cn2nc(OC(=O)NC3C4(CC(C3(C)C)CC4)C)c3c2CCCCC3)cc1	SCHEMBL300484,PC-id_66647507	439.565	DAVHIKXUMNGTAM-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-133607
c1(c2-c(c(c1)CCCCCCCCNS(=O)(=O)c1ccccc1)ccccc2)C(=O)O	CHEMBL168027,SCHEMBL9627891,PC-id_10343155	439.567	BIVLGCFIERNVTP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133608
Cc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	SCHEMBL9627691,PC-id_15020226	439.567	OERWPWWKKKAISS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133609
CC(c1cc(c2-c1ccc(cc2)C(C)C)C(=O)O)CCCNS(=O)(=O)c1ccccc1	SCHEMBL9626632,PC-id_19914787	439.567	CXKSCMWUVDAZTE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133610
CC(C)c1ccc2-c(c(cc2CCCCCNS(=O)(=O)c2ccccc2)C(=O)O)cc1	PC-id_10003328,CHEMBL75089,SCHEMBL9626806	439.567	HKVGXASPMXYXFW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133611
CC(C)c1ccc2-c(c(cc2CCCCCS(=O)(=O)Nc2ccccc2)C(=O)O)cc1	CHEMBL297275,BindingDB_PC-id_44291705,PC-id_44291705	439.567	WOHOGBVYNVOMOQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133612
CC(C)c1ccc2-c(c(cc2CCCCNS(=O)(=O)c2ccccc2)CC(=O)O)cc1	PC-id_10071905,SCHEMBL9628585,CHEMBL311633	439.567	LFNLACXWMKGBFZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133613
CC(C)c1cccc2-c(c(cc2CCCCCNS(=O)(=O)c2ccccc2)C(=O)O)c1	CHEMBL352859,SCHEMBL9627875,PC-id_10455879	439.567	FEVXIVVMDXWPGR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133614
CCCCC(c1cc(c2-c1ccc(cc2)C(C)C)C(=O)O)NS(=O)(=O)c1ccccc1	PC-id_19914785,SCHEMBL9627272	439.567	QMLWJTPAUUBVOV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133615
CCCC[C@H](c1cc(c2-c1ccc(cc2)C(C)C)C(=O)O)NS(=O)(=O)c1ccccc1	PC-id_140359333	439.567	QMLWJTPAUUBVOV-XMMPIXPASA-N	00000010100000110110000000000010000000000000000000000000	31-01-133616
CCCC[C@@H](c1cc(c2-c1ccc(cc2)C(C)C)C(=O)O)NS(=O)(=O)c1ccccc1	PC-id_140359335	439.567	QMLWJTPAUUBVOV-DEOSSOPVSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133617
C[C@H](c1cc(c2-c1ccc(cc2)C(C)C)C(=O)O)CCCNS(=O)(=O)c1ccccc1	PC-id_15020266,SCHEMBL9627297	439.567	CXKSCMWUVDAZTE-SFHVURJKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133618
C[C@@H](c1cc(c2-c1ccc(cc2)C(C)C)C(=O)O)CCCNS(=O)(=O)c1ccccc1	SCHEMBL9627137,PC-id_15020267	439.567	CXKSCMWUVDAZTE-GOSISDBHSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133619
C[C@H](Cc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O)CCNS(=O)(=O)c1ccccc1	SCHEMBL9626754,PC-id_15020269	439.567	IWFDCBBMOLFWOG-SFHVURJKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133620
C[C@@H](Cc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O)CCNS(=O)(=O)c1ccccc1	SCHEMBL9627871,PC-id_15020268	439.567	IWFDCBBMOLFWOG-GOSISDBHSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133621
C[C@@H](CNS(=O)(=O)c1ccccc1)CCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	SCHEMBL9626636,PC-id_15020271	439.567	REZDLNCZZZOBHJ-GOSISDBHSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133623
C[C@H](NS(=O)(=O)c1ccccc1)CCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	PC-id_15020272,SCHEMBL9627322	439.567	CENIVBWKZKNGTP-SFHVURJKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133624
C[C@@H](NS(=O)(=O)c1ccccc1)CCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	PC-id_15020273,SCHEMBL9627277	439.567	CENIVBWKZKNGTP-GOSISDBHSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133625
CC(NS(=O)(=O)c1ccccc1)CCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	PC-id_57247129,SCHEMBL9626641	439.567	CENIVBWKZKNGTP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133626
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCCNS(=O)(=O)c1ccccc1	SCHEMBL9626711,PC-id_10026206	439.567	OOXOBNBEVSCYHO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133627
OC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCCNS(=O)(=O)c1ccccc1C	SCHEMBL9626713,PC-id_15020225	439.567	UGWSRAMUFMXPBI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133628
OC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCCN(S(=O)(=O)c1ccccc1)C	SCHEMBL9627051,PC-id_15020235	439.567	WFXSVUGVDPASQI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133629
OC(=O)Cc1c(C(C)C)c(c2-c1ccccc2)CCCCNS(=O)(=O)c1ccccc1	SCHEMBL9628854,PC-id_57317535	439.567	KHOLWAVTOAJFOV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133630
S(=O)(=O)(NC(Cc1ccccc1)C(=O)OC)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194138	439.567	JEIYKKZVJICRET-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133631
S(=O)(=O)(NCCC(Cc1c2-c(c(c1)C(=O)O)ccc(C(C)C)cc2)C)c1ccccc1	PC-id_72743192	439.567	IWFDCBBMOLFWOG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133632
S(=O)(=O)(NCC(CCc1c2-c(c(c1)C(=O)O)ccc(C(C)C)cc2)C)c1ccccc1	PC-id_72743193	439.567	REZDLNCZZZOBHJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133633
S(=O)(=O)(NCCCCc1c2-c(c(c1)C(=O)OC)cc(C(C)C)ccc2)c1ccccc1	PC-id_11743923	439.567	XKUIVMPQYVTANJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133634
S(=O)(=O)(NCCCCCCCc1c2-c(c(c1)C(=O)OC)ccccc2)c1ccccc1	PC-id_10343154	439.567	GPYIGIDVACPJLI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133635
COc1ccc(c(c1)OC)C1CCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-1942296613,EMOLS-id_43965769,PC-id_45851838	439.57	IHAZQFCTUXNKOD-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-133636
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)CC2=CCCCC2)c1	ZINC22_2055793501,EMOLS-id_313794103	439.57	LNUVBDNIJDPHRF-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-133637
COc1ccc([C@@H]2CCCN2CC(=O)Nc2sc3c(c2C#N)CCCCC3)c(OC)c1	CoCoCo_4128215,ZINC22_15518713,PC-id_26648415,CoCoCo_4128214	439.57	IHAZQFCTUXNKOD-FQEVSTJZSA-N	00000010100000110100100000000010000000000000000000000000	31-01-133638
COc1ccc([C@H]2CCCN2CC(=O)Nc2sc3c(c2C#N)CCCCC3)c(OC)c1	ZINC22_15518715,PC-id_26648418,CoCoCo_4128216,CoCoCo_4128217	439.57	IHAZQFCTUXNKOD-HXUWFJFHSA-N	00000010100000110100100000000010000000000000000000000000	31-01-133639
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)CC2=CCCCC2)cc1	EMOLS-id_313793846,ZINC22_2055793540	439.57	RJZLTTIKGXKSHT-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-133640
s1c2c(CCCCC2)c(c1NC(=O)C1CCCN(C1)C(=O)c1ccc(cc1)C)C(=O)N	PC-id_55624062	439.57	ZJFZSZSJDKTAOD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133641
s1c2c(CCCCC2)c(c1NC(=O)CN(C1CC1)Cc1c(OC)ccc(OC)c1)C#N	PC-id_34979603	439.57	YPGGDLYAVGMZET-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-133642
s1c2CCCCCc2c(c1NC(=O)C(Nc1ccc(OCC2OCCC2)cc1)C)C#N	PC-id_55914999	439.57	NXJYZJYZTFTCOH-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-133643
s1c2c(CCCCC2)c(c1NC(=O)CN(CC1OCCC1)Cc1c(O)cccc1)C#N	PC-id_78821283	439.57	OUVSNRQJCMDPTL-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-133644
s1c2CCCCCc2c(c1NC(=O)CN(CC(C)C(=O)OC)Cc1ccccc1)C#N	PC-id_60612406	439.57	JRAAJCLYZOXBHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133645
s1c2CCCCCCc2cc1C(=O)Nc1c(C(=O)N2CCC(CC2)C(=O)N)cccc1	PC-id_60544471	439.57	MXBAVGDEEHQRDD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133646
s1c2CCCCCCc2cc1C(=O)NC(c1cc(OC)cc(OC)c1)c1n(ccn1)C	PC-id_24625728	439.57	XAIIRGYARDGSPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133647
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1N(CCC1)C(=O)Cc1ccccc1	PC-id_56086728	439.57	QNFVFWPDUGPBJZ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-133648
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(N1CCCCC1=O)c1ccccc1	PC-id_56514727	439.57	QPEULNTVDBLJDW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133649
c1ccc(cc1)CCc1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)OCc1ccccc1	GD-id_ZINC20136998,PC-id_28666207	439.572	NJYBKBGTPRHPKK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133650
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)N)cc1)C(=O)OC	PC-id_20414194	439.572	HTJDPGJMVJOGGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133651
Cc1c(ccc(c1)c1nn(c(c1)C(C)C)CC(=O)N1CCc2c(CC1)sc(n2)N)OC	SCHEMBL15001987,PC-id_89607904	439.574	WPQRUGVYWIGFCL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133652
CC(C)c1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1	EMOLS-id_20459029,PC-id_26281051,CoCoCo_1212800,CoCoCo_1212801,ZINC22_14886619,MCULE-3888697803	439.574	BHIFCPUZTMPTHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133653
N#C/C(=C
/SC=C(N1Cc1ccccc1)c1ccc(cc1)C)/c1nnc2n1CCCCC2	PC-id_2315188,CoCoCo_3729561	439.575	SFYAFGAVSINRFR-ROMGYVFFSA-N	00000011100000110101100000000010000000000000000000000000	31-01-133654
N#C/C(=C/1SC=C(N1Cc1ccccc1)c1ccc(cc1)C)/c1nnc2n1CCCCC2	PC-id_2315189,CoCoCo_3729562	439.575	SFYAFGAVSINRFR-XTCLZLMSSA-N	00000011100000110101100000000010000000000000000000000000	31-01-133655
N#CC(=C1SC=C(N1Cc1ccccc1)c1ccc(cc1)C)c1nnc2n1CCCCC2	PC-id_4419282,MCULE-8575696185	439.575	SFYAFGAVSINRFR-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-133656
S(CC(=O)NCCc1n2CCCCCc2nn1)c1n(c2c(ccc(c2)C)C)c(nn1)C	PC-id_55535777	439.577	VXQVUESHJPFDBU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133657
CC(C(C(C)C)NCCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	PC-id_21953079,SCHEMBL6092894	439.59	RIEXSDLBRGUILS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133658
C1CCCCc2cc(CCCC1)[nH]c2/C=C/1N=C(C=C1OCc1ccccc1)c1[nH]ccc1	SCHEMBL3875653,PC-id_135767910	439.592	QQTQTRHBPNPVLJ-USHMODERSA-N	00000011110000110100100000000010000000000000000000000000	31-01-133659
C1CCCCc2[nH]cc(CC(CC1)/C=C/1N=C(C=C1OCc1ccccc1)c1ccc[nH]1)c2	PC-id_136346260,SCHEMBL6581532	439.592	KNUUZQRPWCGSPQ-VEILYXNESA-N	00000011110000110100100000000010000000000000000000000000	31-01-133660
C1CCCC(Cc2c[nH]c(c2)CCC1)C=c1c(cc(=C2C=CC=N2)[nH]1)OCc1ccccc1	PC-id_88014078	439.592	RZZWKHPZJRYJBS-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-133661
CCC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	PC-id_136647186	439.592	JCLMSSDMLFTARM-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-133662
CCC1CCCCCCc2cc1c([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	SCHEMBL3875893,PC-id_135767905	439.592	JCLMSSDMLFTARM-VEILYXNESA-N	00000011110000110100100000000010000000000000000000000000	31-01-133663
CCOc1cc(=C2C=CC=N2)[nH]c1=Cc1c2cc([nH]1)CCCCCCC2Cc1ccccc1	PC-id_87589753	439.592	AIBXWPBGZHZKLV-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-133664
CCOC1=CC(=N/C/1=C/c1c2cc([nH]1)CCCCCCC2Cc1ccccc1)c1ccc[nH]1	PC-id_136385037,SCHEMBL3885717	439.592	BBNYPVNEDWJGOW-TURZUDJPSA-N	00000011110000110100100000000010000000000000000000000000	31-01-133665
CCOC1=CC(=NC1=Cc1c2cc([nH]1)CCCCCCC2Cc1ccccc1)c1ccc[nH]1	PC-id_136656944	439.592	BBNYPVNEDWJGOW-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-133666
O(c1/c(=C/C2CCCCCCCc3[nH]cc(C2)c3)/[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_69830041	439.592	RZZWKHPZJRYJBS-VSKKRSOSSA-N	00000011110000110100100000000010000000000000000000000000	31-01-133667
O(c1/c(=C/c2[nH]c3CCCCCCC(c2c3)CC)/[nH]/c(=C/2N=CC=C2)/c1)Cc1ccccc1	PC-id_18176993	439.592	MYJULCROFOYSRZ-MZBFBDNOSA-N	00000011110000110100100000000010000000000000000000000000	31-01-133668
O(c1/c(=C/c2[nH]c3CCCCCCC(c2c3)CC)/[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68823212	439.592	MYJULCROFOYSRZ-LZQVPKABSA-N	00000011110000110100100000000010000000000000000000000000	31-01-133669
O(c1c(=Cc2[nH]c3CCCCCCC(c2c3)CC)[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68823216	439.592	MYJULCROFOYSRZ-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-133670
O(c1/c(=C/c2[nH]c3CCCCCCCCCc2c3)/[nH]/c(=C/2N=CC=C2)/c1)Cc1ccccc1	PC-id_18177024	439.592	ZKGDFIUHIHLVRB-KAZSKBIOSA-N	00000011110000110100100000000010000000000000000000000000	31-01-133671
O(c1/c(=C/c2[nH]c3CCCCCCCCCc2c3)/[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68823111	439.592	ZKGDFIUHIHLVRB-HMVDCMIHSA-N	00000011110000110100100000000010000000000000000000000000	31-01-133672
O(c1c(=Cc2[nH]c3CCCCCCCCCc2c3)[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68823113	439.592	ZKGDFIUHIHLVRB-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-133673
s1c2c(CCCCC2)c(c1NC(=O)CSC1NC(CCC)CC(=O)N1)C(=O)OC	PC-id_78273283	439.592	IUIDTVHSJNIOMB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-133674
CC(=O)NCCc1ccc(cc1)c1csc(n1)NC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3878011,PC-id_16359945	439.593	YKEHENNMQJVXHE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133675
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(cc3)CC(C)C)CCn12	PC-id_45240057,EMOLS-id_20697925,MCULE-1861476605	439.594	LIVJZXGWNHYUCS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133676
CC(C)Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1	CoCoCo_1567194,ZINC22_14984361,PC-id_26339523,CoCoCo_1567195	439.594	LIVJZXGWNHYUCS-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133677
CC(C)Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1	CoCoCo_1567196,CoCoCo_1567197,ZINC22_14984363,PC-id_26339525	439.594	LIVJZXGWNHYUCS-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-133678
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(CC(C)CCC=C(C)C)CCn12	EMOLS-id_20669317,PC-id_45233071,MCULE-5271051167	439.594	MQWPBZJDPUUZSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133679
CN=C(NC1CCCN(C1)c1ccccc1OC)NCCCc1nnc2n1CCCCC2	PC-id_112080435	439.597	GYUWPJOFFKWDEQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133699
COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c(C)c1C	MCULE-6954678582,EMOLS-id_20484037,CoCoCo_1248445,CoCoCo_1248446,PC-id_28957566,ZINC22_20455166	439.594	CFAZGBDMBIJCOF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133680
COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@@H](C)CCC=C(C)C)CC3)cc1	CoCoCo_1523140,ZINC22_12332788,PC-id_42541268,CoCoCo_1523138	439.594	MQWPBZJDPUUZSM-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133681
COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@H](C)CCC=C(C)C)CC3)cc1	PC-id_42541272,CoCoCo_1523139,CoCoCo_1523141,ZINC22_12332791	439.594	MQWPBZJDPUUZSM-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133682
O=C(NCCc1n2CCCCCc2nn1)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C	PC-id_55535981	439.594	SCWIIUDOCAEWKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133683
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1ccc(OC)cc1)C#N	PC-id_41255287	439.594	ZNYVOVPQMAOHMW-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-133684
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1cc(OC)ccc1)C#N	PC-id_41327618	439.594	WIRGHRGSXYATQV-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-133685
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1c(OC)cccc1)C#N	PC-id_41218171	439.594	ITQFCMWXVGPVEE-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-133686
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(OCC)cccc1)C#N	PC-id_2084435	439.594	LMQZOBUEBANCSL-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-133687
s1c2c(CCCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(OC)cccc1)C#N	PC-id_49829075	439.594	RFMKRIHUPCYTSS-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-133688
CCNC(=NCc1ccccc1CN1CCOCC1)NCCc1nnc2n1CCCCC2	PC-id_111374753	439.597	LKZWOMQGUPUFIK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133689
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccc(cc1)OC)N1CCCC1	PC-id_111291805	439.597	PDKSRGWIVOVDTP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133690
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccccc1OC)N1CCCC1	PC-id_111322726	439.597	FXJADGWCZDJVRH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133691
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1cccc(c1)OC)N1CCCC1	PC-id_111346767	439.597	RQPRDYYWQPDWAP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133692
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccccc1OC	PC-id_111133627	439.597	LDTSQLKBQGXDGF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133693
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccc(cc1)OC	PC-id_111242529	439.597	CZWUDHZCUWVPPN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133694
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1cccc(c1)OC	PC-id_111290457	439.597	RSZDSZWJNBSZQY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133695
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(C1)c1ccccc1OC	PC-id_109706727	439.597	BHZQGVZUVRUPDC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133696
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1cccc(c1)C(=O)N(C)C	PC-id_111669446	439.597	REKRGLVEFXGCAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133697
CN=C(N1CCN(CC1)CCOc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111363399	439.597	RNCZCRUAQFNJBI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133698
CN=C(NCc1ccccc1CN1CCOCC1)NCCCc1nnc2n1CCCCC2	PC-id_111375547	439.597	VJFJZZTVIVNIGU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133700
CN=C(NCC(c1ccccc1OC)N1CCCC1)NCCc1nnc2n1CCCCC2	PC-id_111322346	439.597	HCBYJZHYUCAOQT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133701
COc1ccc(cc1)C(N1CCCC1)CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111291423	439.597	JBJORRPIZYYRQW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133702
COc1cccc(c1)C(N1CCCC1)CNC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111346819	439.597	ONPGFTZJENZGDL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133703
COc1ccc(cc1)C(N1CCCCC1)CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111308844	439.597	CHJTULMUCNXIGK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133704
COc1cccc(c1)N1CCCC(C1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112080807	439.597	QZOHRBCVDCVIII-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-133705
s1c2CCCCCc2c(c1NC(=O)CSc1sc(SCC(=O)N)nn1)C#N	PC-id_32290290	439.598	ZAGZACAYKFEZOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133706
c1(NC(=O)C=Cc2ccc(cc2)C(C)(C)C)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_4192526,MCULE-1261340682	439.61	QFWYSEREOGALKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133707
c1(NC(=O)C=Cc2ccccc2)sc2c(CCCCCCCCCC2)c1C(=O)OCC	MCULE-2398381594,PC-id_3657899	439.61	LUOUNTJHJVDXCT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133708
CCCOC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)C(C)(C)C)sc2c1CCCCC2	PC-id_97636245,CoCoCo_5824078	439.61	QFWYSEREOGALKZ-SSZFMOIBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133709
CCCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)C(C)(C)C)sc2CCCCCc12	TIMTEC399915,SPECS-id_AK-968/15252931,ZINC22_8444205,CoCoCo_5824077,PC-id_6032966,EMOLS-id_26498989	439.61	QFWYSEREOGALKZ-DTQAZKPQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133710
CCOC(=O)c1c(NC(=O)/C=Cc2ccccc2)sc2c1CCCCCCCCCC2	CoCoCo_6918268	439.61	LUOUNTJHJVDXCT-HNENSFHCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133711
CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCCCCCCCC2	PC-id_1739739,EMOLS-id_45935956,CoCoCo_6918267,SPECS-id_AK-968/11197203,GD-id_ZINC02079847,ZINC22_2079847	439.61	LUOUNTJHJVDXCT-VHEBQXMUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133712
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C(=O)OC(C)C	PC-id_5058716	439.61	IURPGBORAJDTDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133713
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)OC(C)C	PC-id_6260152	439.61	IURPGBORAJDTDM-DTQAZKPQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133714
s1c2c(CCCCCC2)c(c1NC(=O)C=Cc1ccc(C(C)(C)C)cc1)C(=O)OCC	PC-id_3320976	439.61	QJESYXSACSVVMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133715
s1c2c(CCCCCC2)c(c1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)OCC	PC-id_6368388	439.61	QJESYXSACSVVMS-SAPNQHFASA-N	00000000100000110100000000000010000000000000000000000000	31-01-133716
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)CC(=O)Nc1c(cccc1C)C	PC-id_27850395	439.613	KOUIPHNYXDNMQV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133717
Cc1ccc(s1)S(=O)(=O)N1CCCC(C1)C(=O)Nc1nc2c(s1)CCCCC2	EMOLS-id_25659530,PC-id_42940615,MCULE-3395357381	439.615	ACTXYAUSMVHLTD-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-133718
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4c(s3)CCCCC4)C2)s1	ZINC22_28617846,PC-id_35781678,CoCoCo_4637191	439.615	ACTXYAUSMVHLTD-CQSZACIVSA-N	00000000100110000101000000000010000000000000000000000000	31-01-133719
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4c(s3)CCCCC4)C2)s1	ZINC22_28617847,CoCoCo_4637192,PC-id_35781679	439.615	ACTXYAUSMVHLTD-AWEZNQCLSA-N	00000000100110000101000000000010000000000000000000000000	31-01-133720
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1sc(nn1)C)C(=O)OCC	PC-id_24111302	439.615	CPRCOMADBNGIOR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133721
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1sc(nn1)C)C)C(=O)OCC	PC-id_23970481	439.615	HSEOZENXRPFSBO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133722
S(=O)(=O)(N1CCCC1)c1sc(cc1)CC(=O)Nc1sc2CCCCCCc2n1	PC-id_56036237	439.615	LWQLVVPLORQECH-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-133723
CCCS(=O)(=O)N1CCC(CC1)NC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112076520	439.618	ZGGNMLIPYMGIIR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-133724
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)S(=O)(=O)CC	PC-id_112076170	439.618	OYOXYVXNPJCXBV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-133725
S(=O)(=O)(NCCCCc1c2-c(c([N+](C)(C)C)c1)ccc(cc2)C(C)C)c1ccccc1	PC-id_10030838	439.633	OLPLRSRDSABACH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133726
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)N1CCCCCC1	PC-id_34342791	439.635	VLELVTGUEPSFNZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-133727
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(CC(CC)CC)CCn12	PC-id_45169322,EMOLS-id_20395332,MCULE-5398648919	439.637	XZVRFPMYPWSWQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133728
CCC(CC)CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1	CoCoCo_1125545,CoCoCo_1125544,PC-id_42247334,ZINC22_11881404	439.637	XZVRFPMYPWSWQQ-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133729
CCC(CC)CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1	CoCoCo_1125546,ZINC22_11881405,CoCoCo_1125547,PC-id_42247336	439.637	XZVRFPMYPWSWQQ-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133730
CCNC(=NCC(c1ccccc1)N(CC)CC)NCCCc1nnc2n1CCCCC2	PC-id_111010907	439.64	ACVRUVKTQCJHTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133731
CCNC(=NCCCc1nnc2n1CCCCC2)NCCC(N(Cc1ccccc1)C)C	PC-id_111719426	439.64	RCYJLXKMYRUQOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133732
CCCCn1c(C)c2c(c1C)C=CC(=Cc1ccc3-c(c([n+](c3C)CCCC)C)cc1)C=C2	PC-id_44190025,ZINC22_145628639	439.655	OGSOFWHCLCEUAJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-133733
Brc1cc(Cl)c(OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_4234128	439.754	NWUAQKQPDQGNAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133734
Brc1c(OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc(Cl)c1	PC-id_3438197	439.754	WCNFZJJXPTYSHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133735
Clc1cccc(c1Nc1ncc2n1CCCN(C2)CC1CCOCC1)Br	PC-id_118191573,SCHEMBL16855891	439.777	KABZDLSLNUDGDO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-133736
Clc1c(cc(/N=c/2sc(=O)n3n2CCC(CC3)C(F)(F)F)c(F)c1)C(=O)OC	PC-id_67693889	439.812	PUUVHKOPATVZPL-HMAPJEAMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133737
COC(=O)c1cc(N=c2sc(=O)n3n2CCC(CC3)C(F)(F)F)c(cc1Cl)F	SCHEMBL8796398	439.812	PUUVHKOPATVZPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133738
c1(CN(c2ccc3c(OCO3)c2)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	PC-id_27549342,ZINC22_17156259,EMOLS-id_10085724,CoCoCo_2580283,MCULE-8291184437	439.895	KQLYZDBDOLPSEY-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-133739
c1(CN(c2ccc3c(OCO3)c2)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	MCULE-8168168617,CoCoCo_2580282,ZINC22_17150009,PC-id_27546024,EMOLS-id_10085726	439.895	CEKUGLXLFVMAOJ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-133740
c1(nnc2CCCCCn12)N(Cc1ccc2c(OCO2)c1)C(=O)Nc1ccc(cc1)Cl	ZINC22_16769799,MCULE-7965527350,PC-id_4752643	439.895	RZBJYTPWPUJIGQ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-133741
c1(nnc2CCCCCn12)N(Cc1ccc2c(OCO2)c1)C(=O)Nc1cccc(Cl)c1	ZINC22_16769801,MCULE-5788904864,PC-id_4752644	439.895	XFKNFQZPTTWFTN-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-133742
Cc1c(ccc(c1)OC)NC(=O)c1c2CN(C(=O)CCn2nn1)Cc1cc(ccc1)Cl	PC-id_134809009	439.895	ZRTBLRLSSDGFRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133743
Clc1ccc(C(=O)Nc2c(NC(=O)Cn3nc4n(CCCCC4)c3=O)cccc2)cc1	PC-id_55677954	439.895	FPEFEPMBDHWXDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133744
Clc1ccc(NC(=O)c2c(NC(=O)Cn3nc4n(CCCCC4)c3=O)cccc2)cc1	PC-id_55583142	439.895	GQZTVKDEGKSMBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133745
Clc1c(CN2CCn3c(nnc3CNC(=O)c3ccccc3)CC2)cc2OCOc2c1	PC-id_28312885	439.895	PMQFHIDRMVJXQW-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-133746
C1C=Cc2c(C=C1OCc1ccccc1)cc(n2S(=O)(=O)c1ccccc1)C(=O)Cl	PC-id_137516303,SCHEMBL20761836	439.911	FBTPBAJSRMVXFJ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-133747
Cl/C(=C/c1ccccc1)/CN1CCn2c(CC1)nnc2CNC(=O)c1cccc(c1)F	CoCoCo_1189811,CoCoCo_1189809	439.913	YAYWYNLLGNUCFG-CPNJWEJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133748
Fc1cccc(c1)C(=O)NCc1nnc2CCN(C/C(=C/c3ccccc3)/Cl)CCn12	CoCoCo_1189810,ChEMBL-DNDi_CHEMBL17781121,ZINC22_19840322,CoCoCo_1189812,EMOLS-id_44851573	439.913	YAYWYNLLGNUCFG-UYRXBGFRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133749
n12CCN(CCc1nnc2CNC(=O)c1cccc(F)c1)CC(=Cc1ccccc1)Cl	MCULE-7048386057,PC-id_28394425	439.913	YAYWYNLLGNUCFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133750
CC1(C=CC2=C(C=C1)N=C(N2)C(C)(I)I)C	PC-id_153535876	439.925	ZKHQYHWKEINAJD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-133751
Clc1cc(CC2CCCCc3c2[nH]nc3OC(=O)N[C@H](c2ccccc2)CO)ccc1	SCHEMBL300356,PC-id_66647454	439.935	FUFQHUBSYUQTOJ-ZYZRXSCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133752
Clc1cc(CC2CCCCc3c2[nH]nc3OC(=O)N[C@@H](c2ccccc2)CO)ccc1	SCHEMBL300463,PC-id_66647489	439.935	FUFQHUBSYUQTOJ-BDPMCISCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133753
Clc1cc(C[C@@H]2CCCCc3c2[nH]nc3OC(=O)N[C@@H](c2ccccc2)CO)ccc1	PC-id_66647504,SCHEMBL300479	439.935	FUFQHUBSYUQTOJ-GHTZIAJQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133754
Clc1cc(C[C@H]2CCCCc3c2[nH]nc3OC(=O)N[C@@H](c2ccccc2)CO)ccc1	PC-id_66647517,SCHEMBL300497	439.935	FUFQHUBSYUQTOJ-WIYYLYMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133755
Clc1cc(C[C@H]2CCCCc3c2[nH]nc3OC(=O)N[C@H](c2ccccc2)CO)ccc1	PC-id_66647543,SCHEMBL300533	439.935	FUFQHUBSYUQTOJ-NQIIRXRSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133756
Clc1cc(C[C@@H]2CCCCc3c2[nH]nc3OC(=O)N[C@H](c2ccccc2)CO)ccc1	SCHEMBL300487,PC-id_66647510	439.935	FUFQHUBSYUQTOJ-RXVVDRJESA-N	00000000100000110101000000000010000000000000000000000000	31-01-133757
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc([N+](=O)[O-])c1	PC-id_20415376	439.936	NIGBMBCGKDQACR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133758
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc([N+](=O)[O-])cc1	PC-id_20415189	439.936	CVIBABLMNAGPDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133759
Clc1c([N+](=O)[O-])cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_20415293	439.936	XVSVROSEZIFNAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133760
c1(c2CCCCCc2n[nH]1)C(=O)N1CCC(C1)c1cc([nH]n1)COc1ccccc1Cl	MCULE-4874706481,BDF-24970504,EMOLS-id_261461	439.938	IEKTVOLLYJDAOV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133761
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3ccc(c4ccc(cc4)Cl)o3)CCn12	EMOLS-id_20473629,MCULE-1319239807,PC-id_45187495	439.938	SEOXIORNYROARY-UHFFFAOYSA-N	00100000101000110101100000000010000000000000000000000000	31-01-133762
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3ccc(c4cccc(Cl)c4)o3)CCn12	MCULE-8163935131,EMOLS-id_20532323,PC-id_45200863	439.938	RRNIDSLXLTVNCX-UHFFFAOYSA-N	00100000101000110101100000000010000000000000000000000000	31-01-133763
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(cc3)Cl)CCn12	EMOLS-id_20565141,MCULE-1010682115,PC-id_45166713	439.938	PSZJBPXMPJLWSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133764
c1(CN(c2ccc(cc2)Cl)C(=O)Nc2ccc(cc2)OCC)nnc2CCCCCn12	ZINC22_41104843,EMOLS-id_30307714,MCULE-9551146226,PC-id_52102004	439.938	HOJRUBPWGDJOMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133765
c1(CN(c2ccc(cc2)OCC)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	MCULE-3237867334,CoCoCo_5791699,ZINC22_16806008,PC-id_16432588,EMOLS-id_9819389	439.938	SHGFFAORVLXBFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133766
c1(CN(c2ccc(cc2)OCC)C(=O)Nc2ccccc2Cl)nnc2CCCCCn12	PC-id_27652657,MCULE-7283915999,ChEMBL-DNDi_CHEMBLF2559-0176,ZINC22_17307671,CoCoCo_2580215,EMOLS-id_10086922	439.938	QZXUVJXPRFDYNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133767
c1(CN(c2ccccc2OCC)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	PC-id_27655883,ChEMBL-DNDi_CHEMBLF2559-0228,MCULE-6332546819,ZINC22_17315933,CoCoCo_2580237,EMOLS-id_10085802	439.938	MQWIREYJVUVSLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133768
c1(CN(c2ccccc2OCC)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	MCULE-6415350039,PC-id_27370297,CoCoCo_2580236,EMOLS-id_10085804,ZINC22_16838774,ChEMBL-DNDi_CHEMBLF2559-0227	439.938	FKSSNWFRLUBBPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133769
c1(CN(c2cc(C)ccc2OC)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	PC-id_27487162,EMOLS-id_10085816,CoCoCo_2580274,MCULE-9361565078,ZINC22_17026202	439.938	IMKBJGOATSJKNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133770
c1(CN(c2cc(C)ccc2OC)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	EMOLS-id_10085806,ZINC22_27526469,MCULE-5593840236,PC-id_34883558,CoCoCo_6271319	439.938	PVMMUIIUYXPMFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133771
c1(CN(c2c(C)ccc(Cl)c2)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	CoCoCo_6271566,ZINC22_27526643,MCULE-4510463283,EMOLS-id_10086932,PC-id_34883640	439.938	HYXGGKOSESAQEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133772
c1(CN(c2c(C)ccc(Cl)c2)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	ChEMBL-DNDi_CHEMBLF2559-0191,ZINC22_17121155,PC-id_27536838,MCULE-3779730328,EMOLS-id_10086930,CoCoCo_2580221	439.938	WGJCUQKTMWEQMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133773
c1(CN(c2ccc(c(Cl)c2)C)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	MCULE-1055904453,ZINC22_17120502,PC-id_27536495,CoCoCo_2580306,ChEMBL-DNDi_CHEMBLF2559-0433,EMOLS-id_10086610	439.938	LGCCMUSXRZBWKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133774
Clc1ccc(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)Nc2ncccc2)cc1	PC-id_76328465	439.958	XKWDSXMEPLBESZ-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-133810
c1(CN(c2cccc(Cl)c2C)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	MCULE-6589610607,PC-id_34883635,EMOLS-id_10086890,ZINC22_27526632,CoCoCo_6271558	439.938	QLQAYLFSGDGKEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133775
c1(CN(c2cccc(Cl)c2C)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	PC-id_27460276,MCULE-8974283040,CoCoCo_2580169,ZINC22_16991294,EMOLS-id_10086888	439.938	DRQCYTXHONOCAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133776
c1(CN(c2ccc(c(Cl)c2)C)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	PC-id_27536498,MCULE-6749325647,ChEMBL-DNDi_CHEMBLF2559-0432,CoCoCo_2580305,ZINC22_17120505,EMOLS-id_10086812	439.938	DMGGFPMBIBKNHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133777
c1(CN(c2ccc(c(Cl)c2)OC)C(=O)Nc2ccc(cc2)C)nnc2CCCCCn12	EMOLS-id_10095935,PC-id_34908916,ZINC22_27546228,MCULE-6155567535,CoCoCo_6294015	439.938	LHMFNEGBFSNFKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133778
c1(CN(c2ccc(c(Cl)c2)OC)C(=O)Nc2cccc(C)c2)nnc2CCCCCn12	MCULE-1372469252,ChEMBL-DNDi_CHEMBLF2559-0400,ZINC22_8598672,EMOLS-id_10095933,CoCoCo_2580287,PC-id_16030699	439.938	QKSQXATYJWOLGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133779
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)OCC)C(=O)Nc1ccc(cc1)Cl	MCULE-4830475947,PC-id_1538857,ZINC22_1468168	439.938	JZUDXWRIWOFMAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133780
c1(nnc2CCCCCn12)N(Cc1ccccc1OCC)C(=O)Nc1ccc(cc1)Cl	MCULE-7092894637,PC-id_4752659,ZINC22_16769817	439.938	GSSCUXIHNQYMBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133781
c1(nnc2CCCCCn12)N(Cc1ccccc1OCC)C(=O)Nc1cccc(Cl)c1	ZINC22_16769819,PC-id_4752660,MCULE-8087382615	439.938	QXGIRZJOIIIKRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133782
c1(nnc2CCCCCn12)N(Cc1cc(C)ccc1OC)C(=O)Nc1ccc(cc1)Cl	MCULE-7348337742,ZINC22_16769827,PC-id_4752689	439.938	JHKDVCMNYWUSNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133783
C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(c3cccc(Cl)c3)o1)CC2	CoCoCo_1317926,CoCoCo_1317925,PC-id_29212105,ZINC22_20909041	439.938	RRNIDSLXLTVNCX-OAHLLOKOSA-N	00100000101000110101100000000010000000000000000000000000	31-01-133784
C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(c3cccc(Cl)c3)o1)CC2	ZINC22_20909047,PC-id_29212111,CoCoCo_1317927,CoCoCo_1317928	439.938	RRNIDSLXLTVNCX-HNNXBMFYSA-N	00100000101000110101100000000010000000000000000000000000	31-01-133785
C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(c3ccc(Cl)cc3)o1)CC2	CoCoCo_1233703,CoCoCo_1233704,ZINC22_20451442	439.938	SEOXIORNYROARY-HNNXBMFYSA-N	00100000101000110101100000000010000000000000000000000000	31-01-133786
C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(c3ccc(Cl)cc3)o1)CC2	ZINC22_20451440,CoCoCo_1233701,CoCoCo_1233702	439.938	SEOXIORNYROARY-OAHLLOKOSA-N	00100000101000110101100000000010000000000000000000000000	31-01-133787
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2	CoCoCo_1315236,ZINC22_12128980,PC-id_42421785,CoCoCo_1315237	439.938	POTRYSAVILWPNO-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133788
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2	CoCoCo_1315239,CoCoCo_1315238,ZINC22_12128988,PC-id_42421791	439.938	POTRYSAVILWPNO-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133789
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccc(Cl)cc3)CCn12	MCULE-8127686095,PC-id_45200432,EMOLS-id_20530421,ChEMBL-DNDi_CHEMBL34119115	439.938	POTRYSAVILWPNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133790
CCOc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1cccc(Cl)c1	MCULE-9098728284,PC-id_16458791,CoCoCo_6602053,ZINC22_28527862	439.938	VEQBDDBIUNHHFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133791
CCOc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(Cl)cc1	CoCoCo_6602052,MCULE-8790546159,PC-id_16458790,ZINC22_28527860	439.938	KJFYTHDCUIDXFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133792
CCOc1ccc(cc1)N(Cc1nnc2CCCCCn12)C(=O)Nc1cccc(Cl)c1	ZINC22_1432449,TIMTEC292433,PC-id_1511957,CoCoCo_1985044,MCULE-1134457557,EMOLS-id_6818508	439.938	LPWHVFOMTTXQGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133793
CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2Cl)cc1	CoCoCo_6602632,MCULE-5306414510,PC-id_16458981,ZINC22_28534855	439.938	QUDKZYMMSMCGBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133794
CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1	CoCoCo_6601588,ZINC22_28527779,PC-id_16458755,MCULE-2975809898	439.938	SBMBPLQNSVRNPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133795
CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)cc2)cc1	PC-id_16458529,ZINC22_28527176,CoCoCo_6600635,MCULE-7526980163	439.938	BITMWSWZCWYRSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133796
Clc1cccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1	ZINC22_12149746,MCULE-9162770090,CoCoCo_1419320,PC-id_42429866,EMOLS-id_20600717,CoCoCo_1419321	439.938	GJVHBMBZHCWWJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133797
Clc1c(NC(c2ccccc2)C)ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c1	PC-id_56225210	439.938	HULFFXFOGWVGTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133798
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cccc(Cl)c3)CCn12	CoCoCo_1519266,PC-id_42539787,ZINC22_12330673,EMOLS-id_20666709,CoCoCo_1519265,MCULE-8409840447	439.938	AZMPNRGGDQLRDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133799
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(Cl)cc2)CC3)c1	ZINC22_12027837	439.938	PSZJBPXMPJLWSD-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133800
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(Cl)cc2)CC3)c1	ZINC22_12027841	439.938	PSZJBPXMPJLWSD-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133801
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)c(Cl)c2)c1	MCULE-3051440753,ZINC22_28534709,PC-id_16458915,CoCoCo_6602519	439.938	NKAAHFNKQFQKIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133802
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(Cl)c2C)c1	ZINC22_28534822,CoCoCo_6602605,MCULE-1746966034,PC-id_16458968	439.938	BFTRCPYCSPOVJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133803
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cc(Cl)ccc2C)c1	CoCoCo_6602637,MCULE-6396030960,PC-id_16458985,ZINC22_28534863	439.938	ZEHBMFOUGIVSRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133804
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)cc1Cl	ZINC22_28535299,PC-id_16459203,MCULE-5265538496,CoCoCo_6602958	439.938	GANVSFTYBYGPMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133805
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)c(Cl)c2)cc1	MCULE-2271163709,CoCoCo_6602357,PC-id_16458852,ZINC22_28528005	439.938	PLEYXRDGOJDEPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133806
O=C(c1[nH]nc2c1CCCCC2)N1CC[C@@H](c2cc(COc3ccccc3Cl)[nH]n2)C1	ZINC22_19704695	439.938	IEKTVOLLYJDAOV-OAHLLOKOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133807
O=C(c1[nH]nc2c1CCCCC2)N1CC[C@H](c2cc(COc3ccccc3Cl)[nH]n2)C1	ZINC22_19704696	439.938	IEKTVOLLYJDAOV-HNNXBMFYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133808
Clc1ccc(cc1)NC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCCC2	SCHEMBL4156793,PC-id_11683626	439.958	UKFOXSLLVOOKSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133809
Clc1ccc(S(=O)(=O)NC(C(C)C)C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_74304718	439.959	OMUVGOHXBIANBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133811
Clc1ccc(S(=O)(=O)N[C@@H](C(C)C)C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24620330	439.959	OMUVGOHXBIANBH-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133812
Clc1cc(S(=O)(=O)NC(C(C)C)C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_74307555	439.959	BLEQNKNVBVTEQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133813
Clc1cc(S(=O)(=O)N[C@@H](C(C)C)C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_24646558	439.959	BLEQNKNVBVTEQU-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133814
Clc1c(S(=O)(=O)N(CC)CC)cc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_55453134	439.959	JVBWTWPYLCJWQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133815
Clc1cc(C[C@H]2CCCCc3c2[nH]nc3C(=O)N[C@H](C2CC=CC=C2)COC)ccc1	PC-id_71121646,SCHEMBL14267737	439.978	WPGFHJFWZXIPIR-MDKRWRRSSA-N	00000000100011110101000000000010000000000000000000000000	31-01-133816
Clc1cc(C[C@@H]2CCCCc3c2[nH]nc3C(=O)N[C@H](C2CC=CC=C2)COC)ccc1	SCHEMBL14089267,PC-id_71067573	439.978	WPGFHJFWZXIPIR-MLLWHUAMSA-N	00000000100011110101000000000010000000000000000000000000	31-01-133817
Clc1cc(C[C@@H]2CCCCCc3c2[nH]nc3C(=O)N[C@H](C2CC=CC=C2)CO)ccc1	PC-id_70827672,SCHEMBL13061861	439.978	KOEWJSCIPWQHRO-MLLWHUAMSA-N	00000000100011110101000000000010000000000000000000000000	31-01-133818
Clc1cc(C[C@H]2CCCCCc3c2[nH]nc3C(=O)N[C@H](C2CC=CC=C2)CO)ccc1	PC-id_70827673,SCHEMBL13061862	439.978	KOEWJSCIPWQHRO-MDKRWRRSSA-N	00000000100011110101000000000010000000000000000000000000	31-01-133819
Clc1c(cc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1sc2CCCCCc2n1	PC-id_24611843	439.979	PAGYKKHGLFKQHH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133820
Clc1sc(OC(=O)NC2CCN(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_77594508	439.979	GGWPJVSMKDUYSG-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-133821
Clc1sc(OC(=O)N[C@@H]2CCN(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	SCHEMBL4440639,PC-id_69045504	439.979	GGWPJVSMKDUYSG-CYBMUJFWSA-N	00000010100100000100000000000010000000000000000000000000	31-01-133822
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	PC-id_17504970,ZINC22_12994103,EMOLS-id_16692099,CoCoCo_4546049,MCULE-7792892180	439.979	MRHREQLHEXSFDM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133823
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)CC=C(F)F	PC-id_154682240	440.077	QSDXHWCZLHPTAE-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133824
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)CC=C(F)F	PC-id_154682309	440.077	QSDXHWCZLHPTAE-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133825
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2=O)C(C=C(F)F)O	PC-id_154682141	440.077	MOTPRYNEKLNKQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133826
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)CC=C(F)F	PC-id_154682196	440.077	QSDXHWCZLHPTAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133827
Brc1cc(Cc2c3nc([nH]c3ccnc2=O)N)cc(Br)c1OC	PC-id_46916542	440.089	RYRKIFMVTRPAFX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133828
CNc1nc2-c(c(c(=O)[nH]cc2)Cc2cc(Br)c(O)c(Br)c2)n1	CHEMBL3314782	440.089	RJBSSUZWVVTEGH-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-133829
CNc1[nH]c2c(n1)c(Cc1cc(Br)c(c(c1)Br)O)c(=O)ncc2	PC-id_118707779	440.089	NXUNVINBZCITPT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133830
COc1c(Br)cc(Cc2c3-c(nc(n3)N)cc[nH]c2=O)cc1Br	CHEMBL3314783,SCHEMBL14045051	440.089	NLURMCUFTZKREP-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-133831
CC1=CC(=CC(=C1)C(F)(F)F)COC(=O)N2CCCN3C(=CC(=N3)NC(C)C(=O)O)C2	PC-id_160385944	440.167	UAJHCOCMPRLZNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133832
[B]C1=C(SC2=C1CN([C@H](C(NNC(=N2)C)C)C(=O)OC)C(=O)OCC3=CC=CC=C3)C	PC-id_163647891	440.169	VWRIVNDBIVEEEF-VMHBGOFLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133833
CC(C)C(C(=O)CC1CC2=NN=C(O2)CNC(=O)C1=O)NC(=O)OCCOCCOC	PC-id_162023636	440.191	YVBQGHGYONKPHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133834
CC(C)C(C(=O)CC1CC2=CC=C(O2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_147695467	440.195	GRUULXCCBBHTLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133835
CN1C2=C(C=N1)N(C(=O)C(CC2)NC(=O)C3=NN(C=C3F)CC4=CC=C(C=C4)CCO)C	PC-id_155175446	440.197	OJDRMCZTBAPCCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133836
CC(C)C(C(=O)CC1CC2=CC=NN2CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_162198271	440.206	ZRFWTYDYRMLBEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133837
CC(C)C(C(=O)CC1CN2C=C(CCNC(=O)C1=O)N=C2)NC(=O)OCC3=CC=CC=C3	PC-id_160325326	440.206	PVZLYYTVFVTRBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133838
CC1=CC(=C(C(=O)C1)CN2CCCC3=C(C2=O)C(=C(S3)N(C)C4CCC(=O)CC4)C)C	PC-id_161639447	440.213	WYGISABQPAFHET-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-133839
Brc1ccc2-c(c(OC(=O)OCC)c(NC(=O)C)c2OC(=O)OCC)cc1	SCHEMBL8335892,PC-id_17776027	440.242	MMXBQRXLMFHBSY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-133840
CCOC(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(F)cc(c1)Br	PC-id_90460262,SCHEMBL16099399	440.264	SQBJENIIWMHXHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133841
Ic1ccc(OCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55534929	440.279	FDABZQBNJJIIRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133842
Ic1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_60388069	440.299	BBHVYROVQUOVJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133843
Ic1ccc(N/N=C/2C(CCCc3sccc23)CC(=O)O)cc1	PC-id_10503228	440.299	VWWYMAQGMYBWAJ-LVZFUZTISA-N	00000000100000110100000000000010000000000000000000000000	31-01-133844
Ic1ccc(NN=C2C(CCCc3sccc23)CC(=O)O)cc1	PC-id_85162780	440.299	VWWYMAQGMYBWAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133845
Ic1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_31845813	440.299	DDRVNRPVIDCGGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133846
NC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCCCC2	GD-id_ZINC32125136,PC-id_20166073,ZINC22_32125136	440.299	HCZAQUYBDWKTSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133847
NC(=O)c1c(NC(=O)c2cccc(I)c2)sc2c1CCCCC2	ZINC22_32125339,PC-id_20166074	440.299	AQEZIQLRMMIHKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133848
c12CCCCCCc1c(C#N)c(NC(=O)Cn1cc(I)cn1)s2	MCULE-7097831035,EMOLS-id_6835005,PC-id_5306252,ZINC22_12428309	440.302	VAGLCFXAMAVNCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133849
CCOC(=O)c1cc(c2-c1ccc(cc2)C(C(C(F)(F)F)(F)F)(F)F)C(=O)OCC	PC-id_101901892	440.309	MFOJNTXPPYHNJD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-133850
Brc1oc(C(=O)NCC(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_24554112	440.312	SFCVKEMMZBSHCU-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-133851
CCN1C2=C(CCN(C2)C)C(=N1)C(C)CC3CC4=C(CN(C3)C(=O)C)C(=NN4C)C(C)C	PC-id_155148567	440.326	LCMKZVOLIBHFPD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-133852
FC(F)(F)Oc1ccc(c2oc(nn2)CN2CCn3c(OCC2)nc([N+](=O)[O-])c3)cc1	SCHEMBL14965928,PC-id_71570593	440.333	HXKQXIGUFLAURK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133853
Brc1ccc(cc1)N(Cc1nnc2CCCCCn12)C(=O)Nc1ccccc1	PC-id_1045818,ZINC22_720085,TIMTEC348518,EMOLS-id_6787392,MCULE-4498328337,CoCoCo_5791701	440.336	OALUHLDXZSGKKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133854
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)Br)C(=O)Nc1ccccc1	PC-id_1538858,MCULE-7186709469,ZINC22_1468169	440.336	NUXNMAZVXXGYGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133855
n1c2CCCCCn2nc1CN(c1ccc(Br)cc1)C(=O)Nc1ccccc1	PC-id_16458530,ZINC22_28527178,MCULE-3623505983,CoCoCo_6600636	440.336	DGRSCZQHTRXFDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133856
CCOP(=O)(ONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O)OCC	PC-id_141055235	440.341	AZLCFCVXMVIQGK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-133857
Clc1c(C(=O)NCC(=O)NNC(=O)c2sc3CCCCCc3c2)ccc(Cl)c1	PC-id_34035573	440.343	RVISQJUFRTVZDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133858
Brc1ccc(cc1)CNC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C	EMOLS-id_323940846,PC-id_146160657	440.355	ACJNYTHAVZKYCO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133859
c1(NC(=O)c2nn(cc2Br)CC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2107735348,EMOLS-id_2307583,ZINC22_648601,CoCoCo_942002,PC-id_995089,CHEMBL1468731	440.355	QYKNYORXMYNCKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133860
Brc1ccc(NCc2n[n+](CC(=O)c3ccccc3)c3CCCCCn23)cc1	ZINC22_9404790,PC-id_4112120,EMOLS-id_300426697,CoCoCo_5792015,GD-id_ZINC09404790,MCULE-2805242863	440.356	XMLFEVPQOXTJNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133861
Brc1n2c(CN(CCC2)C)c(n1)C(=O)CC(Cc1ncsc1)C(=O)NC	PC-id_76657189	440.358	NUTAELIZZCCKAL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133862
Brc1n2c(CN(CCC2)C)c(n1)C(=O)C[C@@H](Cc1ncsc1)C(=O)NC	PC-id_58135600	440.358	NUTAELIZZCCKAL-LLVKDONJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133863
Brc1sc(C(=O)N(CC(=O)NCCc2n3CCCCCc3nn2)C)cc1	PC-id_52673261	440.358	IOSUBURCQCAIQY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-133864
Brc1sc(C(=O)NC(C(=O)NCCc2n3CCCCCc3nn2)C)cc1	PC-id_60496390	440.358	FPAQOTGSZFBZSW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-133865
Brc1sc(C(=O)N[C@H](C(=O)NCCc2n3CCCCCc3nn2)C)cc1	PC-id_52673259	440.358	FPAQOTGSZFBZSW-NSHDSACASA-N	00000000100100000101000000000010000000000000000000000000	31-01-133866
Brc1sc(C(=O)N[C@@H](C(=O)NCCc2n3CCCCCc3nn2)C)cc1	PC-id_52673260	440.358	FPAQOTGSZFBZSW-LLVKDONJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-133867
Brc1ccc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nc1	PC-id_19686371	440.378	JZIKXEXKDWJNIO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-133868
C/C=C(C=C/1N(C)CCc2c(C1C)oc(c2)C(=O)Nc1c(F)cccc1C(F)(F)F)/F	PC-id_142511677	440.406	LFLHZFGJHFYVSN-XXZCJJBSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133869
C1CN(CCc2c1nc(o2)C(=O)Nc1cccc(c1)C(F)(F)F)Cc1cccc(c1)C#N	PC-id_134808960	440.418	XMKLRNFSZDZOKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133870
C1CN(CCc2c1nc(o2)C(=O)Nc1cccc(c1)C(F)(F)F)Cc1ccc(cc1)C#N	PC-id_134809296	440.418	VUBOKHGKBGGDBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133871
FC(F)(F)c1cc([N+](=O)[O-])c(NCCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55483431	440.42	HHBLDFRSNHOASS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133872
s1c2CCCCCc2cc1C(=O)OCC(=O)NCC(=O)Nc1c(F)c(F)c(F)cc1	PC-id_16509493	440.436	LVTZPESMLBQCBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133873
C/C=CC(=C/C=C)c1nc2n(c1)CCCN(C2)C(=O)Cn1c(=O)oc2c1c(F)c(cc2)F	PC-id_145211996	440.443	USELSUCYFSATFN-XWBOZUFGSA-N	00000000100000100101000001000010000000000000000000000000	31-01-133874
CCOC(=O)C(c1ccc2-c(cc1)c(c(c2C(=O)OCC)NC(=O)C)C(=O)OCC)C#N	PC-id_102461566	440.446	WBGWSJFOECZJFL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-133875
Fc1ccc(C(=O)N2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(F)c1	MCULE-8070257141,PC-id_42171556,ZINC22_11790813,EMOLS-id_20438163,CoCoCo_1184017	440.446	SXWDSSUCNKQDQE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-133876
COC(=O)c1ccc(cc1)C(=O)N1CCC(=C=O)c2c(C1=C=O)n(cc2)Cc1ccccc1	PC-id_141227304	440.447	IBEZBSJUTPUTAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133877
COCCOCCOC(=O)NC(C(=O)NC1Cc2cnc(o2)CNC(=O)C1=O)C(C)C	SCHEMBL21110118,PC-id_138730960	440.448	SDTCFALYMQICRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133878
COCCOCCOC(=O)NC(C(=O)NC1Cc2ncc(o2)CNC(=O)C1=O)C(C)C	PC-id_138730958,SCHEMBL21110116	440.448	UUAHNOMHDMRGHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133879
COc1cc(OC)ccc1NC(=O)C1CCCCc2n1c(=O)n(n2)Cc1cccc(c1)F	EMOLS-id_207869532,MCULE-1261387311	440.467	XGEDWJDCMQSMCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133880
s1c(N(c2c(F)cc(F)cc2)C(=O)C)nc(/C=C(/c2n3CCCCCc3nn2)C#N)c1	PC-id_26465066	440.469	FQAIXTGYLKIDOP-NTEUORMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133881
s1c(N(c2c(F)cc(F)cc2)C(=O)C)nc(C=C(c2n3CCCCCc3nn2)C#N)c1	PC-id_85455857	440.469	FQAIXTGYLKIDOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133882
CC(Cc1onc(c1)C(=O)N1CCc2n(CC1)c(nn2)CNC(=O)c1cccc(c1)F)C	CoCoCo_1317332,MCULE-2960648731,PC-id_42423554,EMOLS-id_20531923	440.471	VSNISANYIBDVNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133883
Cn1c2c(cn1)N(C(=O)C(CC2)NC(=O)c1nn(cc1F)Cc1cccc(c1)CCO)C	PC-id_134267471,SCHEMBL19880751	440.471	QZWPPTISJGBSAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133884
CCNC(=NCc1ccc(cc1C(F)(F)F)F)NCCCc1nnc2n1CCCCC2	PC-id_111889763	440.481	ZCPNLAHOZBNQEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133885
CC(NS(=O)(=O)C1=CC(C)C=c2c(=C1)c(Nc1ccc(c(c1)C(F)F)F)nn2C)C	PC-id_138461107,SCHEMBL20805568	440.482	YIAIOFZGXTVYKG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-133886
Cn1ccc2c1C(=NO)CCN(C2=O)CCCN1CCC(CC1)C(=O)c1ccc(cc1)F	PC-id_88040718	440.51	PAHNNIMARQERMU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133925
COCC(=O)N[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1ccccc1C(F)(F)F)C(C)C	GD-id_ZINC12212718	440.482	MAGSSSONQAXUJF-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133887
O1C([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)c(OC)cc1OC	PC-id_10252683	440.486	IHIPWRVRTFHCHB-BIFUOPDKSA-N	00000010100010110110100000000010000000000000000000000000	31-01-133888
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OCCO	PC-id_72423706	440.486	ASGQNDICVNIOOG-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-133889
O1C(C(O)C(O)C(O)C1CO)c1cc(c(OC)cc1OC)Cc1cc2-c(c1)ccccc2	PC-id_72423664	440.486	IHIPWRVRTFHCHB-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-133890
O1C(C(O)C(O)C(O)C1CO)c1c(OC)c(Cc2cc3-c(c2)ccccc3)c(OC)cc1	PC-id_72423691	440.486	MMTGYNLPOFEYEJ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-133891
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OCCO	PC-id_58786223,SCHEMBL14590137	440.486	ASGQNDICVNIOOG-RXFVIIJJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-133892
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)c(OC)cc1OC	SCHEMBL5271111,PC-id_58786178	440.486	IHIPWRVRTFHCHB-RXFVIIJJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-133893
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(OC)c(Cc2cc3-c(c2)ccccc3)c(OC)cc1	PC-id_58786207,SCHEMBL14590133	440.486	MMTGYNLPOFEYEJ-ABMICEGHSA-N	00000010100010110110100000000010000000000000000000000000	31-01-133894
c1(cccn(CC(=O)Nc2sc3c(CCCCC3)n2)c1=O)C(=O)Nc1ccc(cc1)F	EMOLS-id_134305,MCULE-8699166640,ZINC22_19749943,PC-id_92635131,BDB-26402049	440.491	ZWRMYXHWNYTBPC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-133895
c1(NC(=O)Cn2c(=O)ccc(C(=O)Nc3ccc(cc3)F)c2)sc2c(CCCCC2)n1	PC-id_92635913,MCULE-7024501351,EMOLS-id_134873,ZINC22_19751586,BDB-26415729	440.491	HGOYSOUQBHOKJB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-133896
Fc1cc(CC(=O)NCc2n3CC[NH+](CCc3nn2)Cc2cc(OC)c(O)cc2)ccc1	PC-id_42190108	440.491	IQFOUBUATVIQND-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133897
Fc1cc(CC(=O)NCc2n3CC[NH+](CCc3nn2)Cc2c(O)c(OC)ccc2)ccc1	PC-id_42430311	440.491	GTEYAWLPQDRRQJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133898
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2ccc(OCCO)cc2)ccc1	PC-id_42237032	440.491	BPMOSBSIOCFVQN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133899
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2c(OC)cccc2OC)ccc1	PC-id_42238168	440.491	FFKMURYNKXWSKM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133900
O=C(c1nn(c(cc1=O)C)c1ccccc1F)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-4034711479,PC-id_26927774,CoCoCo_4198753,EMOLS-id_23687732	440.491	COBRVYIXNFZKAR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133901
s1c2c(CCCCC2)c(c1NC(=O)c1nn(c(cc1=O)C)c1c(F)cccc1)C(=O)N	PC-id_55413854	440.491	PHKBGIUUYWNZCJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133902
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(F)cc1)C)C#N	PC-id_55435579	440.491	BNJGAQXAGMSEEN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-133903
Cc1c(cc(cc1)NC(=O)Nc1cc(ccc1)OC)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478250	440.494	SKJWGQPTKHPYSH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133904
COc1cccc(c1)NC(=O)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076560	440.494	SKJWGQPTKHPYSH-WPWMEQJKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133905
Fc1cccc(c1)C(=O)NCc1nnc2CCN(CCn12)C(=O)CSc1ccccn1	EMOLS-id_232740287,ZINC22_12245757,PC-id_42483059,MCULE-6864600843	440.494	YHRSRPNOLNFDSQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-133906
CC([C@@H](c1nnc2n1CCN(CC2)C(=O)c1noc(c1)C(C)C)NC(=O)c1cocc1)C	CoCoCo_1381438	440.496	ASDKTMOCAZMTNN-IBGZPJMESA-N	00000000101000000101000000000010000000000000000000000000	31-01-133907
CC([C@H](c1nnc2n1CCN(CC2)C(=O)c1noc(c1)C(C)C)NC(=O)c1cocc1)C	CoCoCo_1381439	440.496	ASDKTMOCAZMTNN-LJQANCHMSA-N	00000000101000000101000000000010000000000000000000000000	31-01-133908
O=C(NCCc1n2CCCCCc2nn1)C1N(CCC1)C(=O)c1cc(c([N+](=O)[O-])cc1)C	PC-id_56395491	440.496	VGTAYKFEGCFGLD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133909
N#CC(c1nnc2n1CCCCC2)C(=O)c1cccc(c1)OCc1nc2n(c1)cc(cc2)C	PC-id_112844370	440.497	KEADYSRIIRPOMV-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-133910
c1ccc(cc1)N=Nc1ccc(cc1)N=Nc1ccc(cc1)N=Nc1ccc2-c1ccccc2	PC-id_101551454	440.499	SAVBOBUJTZPFLS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133911
c1ccc(cc1)N=Nc1cccc(c1)N=Nc1cccc(c1)N=Nc1ccc2-c1ccccc2	PC-id_101551457	440.499	PGHGDACHHHLMSW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133912
CCc1n[nH]c2c1CN(CC(C2)CC(C)c1n[nH]c2c1CN(C2)CC(F)(F)F)COC	PC-id_134402280,SCHEMBL20033617	440.506	XURJXTVSDZCUOA-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-133913
CN1C(=C=C)[C@@H](CCC(=O)C(=C)N=C2N(C)[C@H](CC2(F)F)C2=C[CH]2)CCn2c1cc(n2)C	PC-id_142375317	440.509	ZJLLHZWJPLYVMZ-AZUAARDMSA-N	00110010100000000101100000000010000000000000000000000000	31-01-133914
Fc1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)ccc1F	PC-id_26347952	440.509	ADEBNJGLPDIZDB-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133915
Fc1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)ccc1F	PC-id_26347954	440.509	ADEBNJGLPDIZDB-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133916
Fc1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)ccc1F	PC-id_74499130	440.509	ADEBNJGLPDIZDB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133917
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2c(cc(cc2)C)C)C)cc(F)cc1	PC-id_74792051	440.509	XQSJAJZELPKLMF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133918
Fc1c(C(=O)NCc2n3CC[NH+](CCc3nn2)CCC(c2ccccc2)C)c(F)ccc1	PC-id_74799707	440.509	QSJPUVCYZIWTPI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133919
Fc1c(C(=O)NCc2n3CC[NH+](CCc3nn2)CC[C@@H](c2ccccc2)C)c(F)ccc1	PC-id_42366853	440.509	QSJPUVCYZIWTPI-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133920
Fc1c(C(=O)NCc2n3CC[NH+](CCc3nn2)CC[C@H](c2ccccc2)C)c(F)ccc1	PC-id_42366857	440.509	QSJPUVCYZIWTPI-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133921
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2c(cc(cc2)C)C)C)cc(F)cc1	PC-id_42322265	440.509	XQSJAJZELPKLMF-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133922
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2c(cc(cc2)C)C)C)cc(F)cc1	PC-id_42322270	440.509	XQSJAJZELPKLMF-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-133923
Cn1ccc2c1C(CCN(C2=O)CCCN1CCC(CC1)C(=O)c1ccc(cc1)F)N=O	PC-id_91544938	440.51	PLVDAYTZVFQUEJ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133924
Cn1ccc2c1C(=O)N(CCC2=NO)CCCN1CCC(CC1)C(=O)c1ccc(cc1)F	PC-id_88072249	440.51	FLMYBAJVDDNVMY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133926
CN1CCC(=NO)c2c(C1=O)n(cc2)CCCCN1CCC(C1)C(=O)c1ccc(cc1)F	SCHEMBL9039497,PC-id_88403771	440.51	WTEUECWNXLUZKF-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-133927
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(cc2)/C(=N/O)/CCNC3=O)cc1	PC-id_10741778	440.51	OELDRPMPMNTMHN-SZXQPVLSSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133928
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(cc2)C(=NO)CCNC3=O)cc1	SCHEMBL9038892,PC-id_85251925	440.51	OELDRPMPMNTMHN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133929
Fc1ccc(C(=O)C2CCN(CC2)CCCn2c3c(cc2)/C(=N/O)/CCN(C3=O)C)cc1	PC-id_10789235	440.51	GCXYRQQHPIOQRA-YYADALCUSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133930
Fc1ccc(C(=O)C2CCN(CC2)CCCn2c3c(cc2)C(=NO)CCN(C3=O)C)cc1	SCHEMBL9039019,PC-id_85268419	440.51	GCXYRQQHPIOQRA-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133931
O/N=C
/CCNC(=O)c2c1ccn2CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F	PC-id_100955395	440.51	OELDRPMPMNTMHN-MEFGMAGPSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133932
O/N=C
/CCN(C(=O)c2c1ccn2C)CCCN1CCC(CC1)C(=O)c1ccc(cc1)F	SCHEMBL6991365	440.51	FLMYBAJVDDNVMY-QLYXXIJNSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133933
O/N=C
/CCN(C(=O)c2c1ccn2CCCN1CCC(CC1)C(=O)c1ccc(cc1)F)C	PC-id_100955393	440.51	GCXYRQQHPIOQRA-QLYXXIJNSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133934
O/N=C
/CCN(C(=O)c2c1n(C)cc2)CCCN1CCC(CC1)C(=O)c1ccc(cc1)F	SCHEMBL6774745	440.51	PAHNNIMARQERMU-QLYXXIJNSA-N	00000000100010110100000000000010000000000000000000000000	31-01-133935
CC(C)c1ccc2-c(c(cc2CNC(=O)CNS(=O)(=O)c2ccccc2)C(=O)O)cc1	PC-id_44292330,CHEMBL43880,BindingDB_PC-id_44292330	440.512	KYCGILYIUBZEPU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-133936
CCOC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	MCULE-4558021877,ZINC22_4229149,PC-id_4280174,EMOLS-id_3062537,CoCoCo_1770516	440.512	IXWHOUJXFUPRFA-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-133937
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)OCC	PC-id_4460533	440.512	IHRKCPBKBFHXNV-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-133938
s1c2c(CCCCC2)c(c1NC(=O)c1cc(N2C(=O)CCC2=O)ccc1)C(=O)OCC	PC-id_4461821	440.512	HEROOMNAIBENFY-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-133939
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1ccccc1)C)C(=O)OC	PC-id_19486399	440.512	DOJYMNJRYLZGLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133940
s1c2c(CCCCC2)c(c1NC(=O)c1oc(cc1)COc1c(OC)cccc1)C(=O)N	PC-id_55755318	440.512	FJRLSEGLFNIBMX-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-133941
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OCC#N)cc1)C(=O)OC	PC-id_52598434	440.512	NPSOBNCNMJCGGZ-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133942
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1cc(OC)c(OCC#N)cc1)C(=O)OC	PC-id_75878076	440.512	NPSOBNCNMJCGGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133943
s1c2CCCCCc2c(c1NC(=O)CCC(=O)OCC(=O)c1ccc(OC)cc1)C#N	PC-id_19059651	440.512	ZODDIWNBHAQBCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133944
s1c2CCCCCc2c(c1NC(=O)CCC(=O)OCC(=O)c1cc(OC)ccc1)C#N	PC-id_19059643	440.512	NAYWNVFHUBEUMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133945
s1c2c(CCCCC2)c(c1NC(=O)C(N1C(=O)c2c(C1=O)cccc2)C)C(=O)OCC	PC-id_23796395	440.512	AQURMZIHTWEMKE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-133946
s1c2CCCCCc2c(c1NC(=O)COc1c(OC)cc(cc1)/C=C/C(=O)OC)C#N	PC-id_39034407	440.512	CQOYDAFQVRJJOG-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133947
s1c2CCCCCc2c(c1NC(=O)COc1c(OC)cc(cc1)C=CC(=O)OC)C#N	PC-id_85507262	440.512	CQOYDAFQVRJJOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133948
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)Cc1c2c([nH]c1)cccc2)C(=O)OC	PC-id_5221385	440.512	RPWGXRMAGJMLOK-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-133949
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)cc1)C#N	PC-id_41668034	440.512	BFMOMVSSLSPWDI-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133950
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OC)cc1)C#N	PC-id_74768909	440.512	BFMOMVSSLSPWDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133951
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1c(OC)ccc(OC)c1)C#N	PC-id_41702173	440.512	QJIHVNJOJAAZIO-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133952
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1c(OC)ccc(OC)c1)C#N	PC-id_74769409	440.512	QJIHVNJOJAAZIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133953
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1c(OC)cc(OC)cc1)C#N	PC-id_35686958	440.512	MXYMVWMWJHJMND-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133954
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1c(OC)cc(OC)cc1)C#N	PC-id_74643200	440.512	MXYMVWMWJHJMND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133955
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1c(OC)c(OC)ccc1)C#N	PC-id_45703125	440.512	QVGNCVMCMXFAOP-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133956
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1c(OC)c(OC)ccc1)C#N	PC-id_77673107	440.512	QVGNCVMCMXFAOP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133957
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)COc1ccc(cc1)C(=O)C)C)C#N	PC-id_55421099	440.512	KNSAQXLJMJGQAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133958
CCn1cc(CN(C)C(=O)C2CCCCc3nn(Cc4cccc(F)c4)c(=O)n23)c(C)n1	MCULE-6441491364,EMOLS-id_207869562	440.514	KFKQJFHACKUFGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133959
CCN(Cc1cnn(CC)c1)C(=O)C1CCCCc2nn(Cc3cccc(F)c3)c(=O)n12	MCULE-4247155563,EMOLS-id_207869568	440.514	OLSZZXMMIVJVCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133960
O=C(NC1CSc2ccn(c2C)CCCCC(NC1=O)C(=O)O)CCC(C(=O)O)N	SCHEMBL12809423,PC-id_59703102	440.514	KIGXHAQORKUNMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133961
O=C(NC1CSc2cn(c(c2)C)CCCCC(NC1=O)C(=O)O)CCC(C(=O)O)N	PC-id_59703086,SCHEMBL12809422	440.514	KURILEVDDAOITM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-133962
c
(=N/C(=O)Cn2c(=O)ccc(c3ccc(c(OC)c3)OC)n2)/sc2c(CCCCC2)[nH]1	ZINC22_61719211,EMOLS-id_35785845,STOCK7S-13508,PC-id_52899531,MCULE-3782460384,EMOLS-id_46561984	440.515	GOBVWWNMZHDJFG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133963
CC(=NNC(=O)c1c(NC(=O)C=Cc2cccc(c2)[N+](=O)[O-])sc2c1CCCCC2)C	PC-id_92046532	440.515	BTMZEJZUHQCTSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133964
CC(=NNC(=O)c1c(NC(=O)C=Cc2ccc(cc2)[N+](=O)[O-])sc2c1CCCCC2)C	PC-id_92046534	440.515	JOBVGYGBWTWWKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-133965
o1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)ccc1COC	PC-id_25328197	440.515	QDVSEAWFCOMIIE-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133966
O(c1cc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccoc3)CC2)ccc1OC)CC	PC-id_42377425	440.515	NKJQMBCNWFZMCX-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133967
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(occ3)C)C)CC2)cc(OC)c1)C	PC-id_42163084	440.515	VLAHTJLOEFFASB-OAHLLOKOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133968
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(occ3)C)C)CC2)cc(OC)c1)C	PC-id_42163086	440.515	VLAHTJLOEFFASB-HNNXBMFYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133969
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)ccc1OC)CC	PC-id_42372399	440.515	HBRGXOJXNGBYBE-MRXNPFEDSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133970
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)ccc1OC)CC	PC-id_42372401	440.515	HBRGXOJXNGBYBE-INIZCTEOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133971
O(c1cc(C[NH+]2CCn3c(nnc3CNC(=O)c3c(oc(c3)C)C)CC2)cc(OC)c1)C	PC-id_42422552	440.515	AMUWZDSNEVCUGW-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133972
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(occ3)C)C)CC2)cc(OC)c1)C	PC-id_74779892	440.515	VLAHTJLOEFFASB-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133973
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)ccc1OC)CC	PC-id_74800329	440.515	HBRGXOJXNGBYBE-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133974
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)cccc1)CC	PC-id_42236266	440.515	GSCCFUNBAKDERN-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-133975
s1c2c(CCCCC2)c(c1NC(=O)C1=NN(C(C1)C(=O)N)c1ccccc1)C(=O)OC	PC-id_55698012	440.515	GMYPIGCDNMNJED-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-133976
s1c2c(CCCCC2)c(c1NC(=O)c1nnn(c1C)c1cc(OC)ccc1)C(=O)OC	PC-id_52638631	440.515	NGCJGDINJWVXST-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133977
s1c2c(CCCCC2)c(c1NC(=O)CCc1onc(n1)c1ccc(OC)cc1)C(=O)N	PC-id_55487495	440.515	HRHGTVRNZGIVLJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-133978
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1c(oc(c1)C)C)C)C#N	PC-id_60617481	440.515	LNYHUYHVCVLFIO-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-133979
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(CN2C(=O)CNC2=O)cccc1	PC-id_24596525	440.515	ZNMCTVVLCZQIID-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-133980
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3n[nH]c4CCCCCc34)cc2)n1	EMOLS-id_335114697,MCULE-8171453711	440.519	QKBDDAALVAYPJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133981
Cn1c(=O)c(C(=O)CSc2nnc3n2CCCCC3)c(N)n(Cc2ccccc2)c1=O	ZINC22_9507499,EMOLS-id_3435013,MCULE-7203211999,CoCoCo_3081735,PC-id_4797268	440.519	IKQPIXGYXCXYPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133982
O/C(=C/Sc1nnc2n1CCCCC2)/c1c(N)n(Cc2ccccc2)c(=O)n(c1=O)C	CoCoCo_3081737,CoCoCo_3081738	440.519	SIWYQALFEVMTGN-FYWRMAATSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133983
O/C(=CSc1nnc2n1CCCCC2)/c1c(N)n(Cc2ccccc2)c(=O)n(c1=O)C	CoCoCo_3081739,CoCoCo_3081736	440.519	SIWYQALFEVMTGN-SQFISAMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-133984
S(=O)(=O)(Nc1ccncc1)c1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55618574	440.519	WFSUUMSYGDQVJF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-133985
N#C/C(=c/1s/c(=Cc2ccccn2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609828,PC-id_16237595	440.52	YHFLIAIYQFPUDX-MAIQYKLKSA-N	00000000100000111101100000000010000000000000000000000000	31-01-133986
N#C/C(=c
/s/c(=C/c2ccccn2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609829	440.52	YHFLIAIYQFPUDX-OKHRIHEDSA-N	00000000100000111101100000000010000000000000000000000000	31-01-133987
N#C/C(=c/1s/c(=C/c2ccccn2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609831	440.52	YHFLIAIYQFPUDX-UMRHVPOFSA-N	00000000100000111101100000000010000000000000000000000000	31-01-133988
N#CC(=c1sc(=Cc2ccccn2)c(=O)n1c1ccccc1)c1nnc2n1CCCCC2	EMOLS-id_26144936,PC-id_3655694,MCULE-8760363414	440.52	YHFLIAIYQFPUDX-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-133989
N#C/C(=c
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N#C/C(=c
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N#C/C(=c/1s/c(=C/c2cccnc2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609835	440.52	ANMFHLGPDKQKOH-JXAZVGLUSA-N	00000000100000111101100000000010000000000000000000000000	31-01-133992
N#CC(=c1sc(=Cc2cccnc2)c(=O)n1c1ccccc1)c1nnc2n1CCCCC2	MCULE-7469525235,EMOLS-id_26144938,PC-id_4990268	440.52	ANMFHLGPDKQKOH-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-133993
N#C/C(=c/1s/c(=Cc2cccnc2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	PC-id_16237074,CoCoCo_3609832	440.52	ANMFHLGPDKQKOH-WLZDACCGSA-N	00000000100000111101100000000010000000000000000000000000	31-01-133994
N#C/C(=c
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N#C/C(=c/1s/c(=Cc2ccncc2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609888,PC-id_16237599	440.52	TZJCXOSINXWQAP-MAIQYKLKSA-N	00000000100000111101100000000010000000000000000000000000	31-01-133996
N#C/C(=c
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N#C/C(=c/1s/c(=C/c2ccncc2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609891	440.52	TZJCXOSINXWQAP-UMRHVPOFSA-N	00000000100000111101100000000010000000000000000000000000	31-01-133998
N#CC(=c1sc(=Cc2ccncc2)c(=O)n1c1ccccc1)c1nnc2n1CCCCC2	PC-id_4322640,MCULE-8839104805,EMOLS-id_26144966	440.52	TZJCXOSINXWQAP-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-133999
N#C/C(=c
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s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc(OC(F)F)cc1)C)C(=O)OC	PC-id_20173969	440.527	JHLDWHCYHAOHFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134001
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(OC(F)F)cc1)C(=O)OCC	PC-id_20173836	440.527	ZRYZWOPDJVQSKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134002
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC(F)F)ccc(c1)C)C(=O)OC	PC-id_19711614	440.527	CYEGUSPSHAJPHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134003
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC(F)F)cc(cc1)C)C(=O)OC	PC-id_20172120	440.527	AGQSJAFKLCBXPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134004
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC(F)F)cccc1)C(=O)OCC	PC-id_20172194	440.527	HZWPBPCKWSKDBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134005
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(OC(F)F)cc1)C(=O)OC	PC-id_20173830	440.527	JDIHOQNCFZXRJJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134006
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC(F)F)cccc1)C(=O)OC	PC-id_20172187	440.527	KWWHHPMFFJSSEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134007
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1)c1c(F)ccc(F)c1	PC-id_26418648	440.527	ZAMNJWKVARLMHC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134008
OC[C@H]1O[C@H](C[C@H]([C@@H]1O)O)C1CC(CC=C1C)Cc1cc2-c(c1C(=O)OC)ccccc2	PC-id_142858218	440.529	RTEUYTUSSWHOBA-HYZQAVGTSA-N	00000010100011000110100000000010000000000000000000000000	31-01-134009
CC(c1cccc2-c(c1)c(cc2)C(=O)OCCCCOC(=O)c1ccc2-c1ccccc2)C	PC-id_102213806	440.53	UQXKVQJXBGIHDJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-134010
Fc1ccc(cc1)C(=O)[C@@H]1CC[N@H+](CC1)CCCCn1cc2c(c1)C(=O)CCN(C2=O)C	GLL_PC-id_22011289	440.53	PLUQOXYUEKLAQQ-UHFFFAOYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-134011
Fc1ccc(cc1)C(=O)[C@@H]1CC[N@H+](CC1)CCCCn1ccc2c1C(=O)CCN(C2=O)C	GLL_PC-id_22011279	440.53	ZGYYLAHYDYPIHY-UHFFFAOYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-134012
CCCCc1cc(c2-c1ccccc2)S(=O)(=O)NCCc1ccc(cc1)OCC(=O)[O-]	GD-id_ZINC13826235	440.532	MQXKSQJZLVZKMY-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-134013
[O-]C(=O)COc1ccc(cc1)CCNS(=O)(=O)c1cc(c2-c1ccc(cc2)C(C)C)C	GD-id_ZINC13826237	440.532	UCLCSTBISZZIKS-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-134014
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C)C	PC-id_9803288,SCHEMBL9336732	440.534	BSAMYJKELWMXMY-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-134015
CCCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)ccc(=O)cc2	PC-id_19102897,SCHEMBL9335638	440.534	OBZGYKLJHXBMKS-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-134016
COCC[C@@H]1c2ccsc2CCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966436	440.534	QDIHAYLMZWYGOK-SJLPKXTDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134017
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCOC)C(=O)NO)c1ccc(OC)cc1	PC-id_54222125	440.534	QDIHAYLMZWYGOK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134018
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)CCOC)C(=O)NO)c1ccc(OC)cc1	PC-id_57121298	440.534	QDIHAYLMZWYGOK-WMZOPIPTSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134019
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1c(onc1C)C)C	PC-id_31846377	440.537	DCCMXSZAEIXWKE-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-134020
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NS(=O)(=O)c1c(onc1C)C)C	PC-id_74618909	440.537	DCCMXSZAEIXWKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134021
N#Cc1c(NC(=O)CSc2nnc(o2)c2ccccc2OC)sc2c1CCCCC2	PC-id_112787237	440.538	PMQJZYWZBFQWLA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134022
s1c2CCCCCc2c(c1NC(=O)CSc1oc(nn1)c1ccc(OC)cc1)C#N	PC-id_4026728	440.538	BKSMJYYLWRLANO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134023
CN(C)CCNC(=O)CCNC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	MCULE-2998909421,EMOLS-id_25388006,PC-id_46049756	440.539	CLFNJPPVSJGUCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134024
O=c1n2CCCCCc2nn1CC(=O)NC(CC(=O)Nc1cc(N2CCCC2)ccc1)C	PC-id_56370193	440.539	PLGZGJCLRLTJKT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-134025
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCCN(C)C)Cc1ccc(cc1)C	PC-id_46049709	440.539	LNJAGJOLCIQWDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134026
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCCN(C)C)Cc1c(cccc1)C	PC-id_46049786	440.539	BZIGAAJDBQTYBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134027
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCN(C)C)C)Cc1cc(ccc1)C	PC-id_42854987	440.539	DXFXQIDMTCUXKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134028
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN(C)C)C)Cc1c(cccc1)C	PC-id_42855007	440.539	VIVGVBUEUKSJRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134029
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN(C)C)C)Cc1cc(ccc1)C	PC-id_46049720	440.539	PBIUBKFBQZZCCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134030
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN(C)C)C)Cc1ccc(cc1)C	PC-id_46159910	440.539	BNUIPNQCTDOCCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134031
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCCN(CC)CC)Cc1ccccc1	PC-id_46159897	440.539	MPTKOQWLXYAAGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134032
O=C(N1CC(CCC1)CNC(=O)Nc1ccc(cc1)C)Cn1nc2n(CCCCC2)c1=O	PC-id_56479056	440.539	FHGURMYEPFVNGB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134033
O=C(N)C1CCN(CC1)CCc1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56354205	440.539	OWDCQNHKSBGLGU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134034
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C#N	PC-id_41093796	440.539	FMFDXZQBDUNVMR-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-134035
Cc1cc(C)n(Cc2ccc(cc2)C(=O)N2CCc3nnc(Cc4ccccc4)n3CC2)n1	EMOLS-id_68890120,MCULE-1726529931,ZINC22_299759066,PC-id_118756211	440.54	NAZASZKIVXBLDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134036
Cc1nn(c2ccccc2)c(C)c1CC(=O)N1CCc2nnc(Cc3ccccc3)n2CC1	CoCoCo_1483957,ZINC22_14981451,ChEMBL-DNDi_CHEMBL62904301,PC-id_26337184,MCULE-1304544243,EMOLS-id_32409424	440.54	HBTQFIOPZHAJHG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134037
C[C@@H](Sc1nnnn1c1ccc(O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4177699,PC-id_41189040,ZINC22_9727945	440.542	VJJYUQFNDOOUAR-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134038
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)CCc1ccc(OC)cc1	PC-id_56127769	440.598	SSEPIUDONRFFDM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134150
C[C@H](Sc1nnnn1c1ccc(O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4177700,ZINC22_9727943,PC-id_41189039	440.542	VJJYUQFNDOOUAR-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134039
COc1ccc(n2nnnc2SCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	MCULE-4946344519,EMOLS-id_43759542,PC-id_3907203,ZINC22_9988311,CoCoCo_3024091	440.542	ZSEXKIUYPPSGOO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134040
N#Cc1c(NC(=O)CCSc2nnnn2c2ccc(O)cc2)sc2c1CCCCC2	PC-id_25529441,MCULE-3075878106,EMOLS-id_16774062,CoCoCo_3950454,ZINC22_12811454	440.542	BYWSUYWVZHUHGJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134041
N#Cc1c(NC(=O)C(Sc2nnnn2c2ccc(cc2)O)C)sc2c1CCCCC2	MCULE-7665222490,PC-id_16328737,EMOLS-id_11765053	440.542	VJJYUQFNDOOUAR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134042
s1c2CCCCCc2c(c1NC(=O)CSc1n(nnn1)c1c(OC)cccc1)C#N	PC-id_27159987	440.542	OYRGBYJKCXDJHJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134043
s1c(c2OCC(COc2c1C(O)c1ccc(cc1)C)(CO)C)C(O)c1ccc(cc1)C	PC-id_24766046	440.552	JLSJTTPMNCVESW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134044
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C(/c1cc(F)ccc1NC)C=O)CC	PC-id_145511594	440.554	NRKXDPXNHZXFSX-NBVRZTHBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134045
Fc1ccc(N2CCN(CC2)CCCN2CCC(=O)c3c(n(CCCC)cc3)C2=O)cc1	PC-id_10575119	440.554	HPIFTJASYINYNW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134046
c1(c2CCCCCc2sc1NCc1ccc(C)o1)C(=O)Nc1ccc(cc1OC)OC	SCHEMBL10077267,MCULE-1438518610,CoCoCo_2720527,EMOLS-id_16406270,PC-id_4612025,CHEMBL1515860	440.555	FJQZWGZOKWWYHT-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-134047
c1(c2CCCCCc2sc1NCc1ccc(C)o1)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_3148525,SCHEMBL10077015,BAS-03715743,EMOLS-id_1439649,CoCoCo_306091,ZINC22_2909624,MCULE-4660316203,CHEMBL1485226	440.555	HTKDXTOLDHAJCB-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-134048
c1(c2CCCCCc2sc1NC(=O)C1CCCCC1C(=O)O)C(=O)Nc1ccccc1	EMOLS-id_4127374,PC-id_17377022,MCULE-4170765832,TIMTEC96407	440.555	CFDRLVBVNYLYSL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134049
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1	ZINC22_10215041,EMOLS-id_15258033,CoCoCo_4081814,MCULE-2961590337,PC-id_41410429	440.555	BWZPCGARIAZQEN-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-134050
O=C(Nc1ccccc1)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_6831553,PC-id_28248346,ZINC22_19632219	440.555	CFDRLVBVNYLYSL-IRXDYDNUSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134051
O=C(Nc1ccccc1)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2	PC-id_28248344,CoCoCo_6831552,ZINC22_19632216	440.555	CFDRLVBVNYLYSL-DLBZAZTESA-N	00000000100010110100000000000010000000000000000000000000	31-01-134052
O=C(Nc1ccccc1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_19632222,PC-id_28248348,CoCoCo_6831554	440.555	CFDRLVBVNYLYSL-IAGOWNOFSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134053
O=C(Nc1ccccc1)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_19632225,CoCoCo_6831551,PC-id_28248350	440.555	CFDRLVBVNYLYSL-SJORKVTESA-N	00000000100010110100000000000010000000000000000000000000	31-01-134054
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)C)CC)C(=O)OCC	PC-id_53292996	440.557	MCZKXOVGWKDAJP-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-134055
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[n+]([nH]oc1=O)C)C(=O)OCC	PC-id_53294361	440.557	AILVHOHHCWMAHK-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-134056
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)C)CC)C(=O)OC	PC-id_53293008	440.557	MWDKUPSIZVRSAJ-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-134057
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)C)C)C(=O)OCC	PC-id_53292692	440.557	DYCUWABURNGXLO-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-134058
COCc1ccc(o1)C(=O)NCc1nnc2n1CC[N@@H+](CC2)CC1=CC[C@H]2C[C@@H]1C2(C)C	GD-id_ZINC12282168	440.558	ACGWJIWVPRZPAM-HKUYNNGSSA-O	00001000101011000101001000000010000000000000000000000000	31-01-134059
O1CCC(CC1)C(=O)NC(c1n2CC[NH+](CCc2nn1)Cc1c(OCC=C)cccc1)C	PC-id_74784792	440.558	IZHOBFHKCRLLJJ-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134060
O1CCC(CC1)C(=O)NC(c1n2CC[NH+](CCc2nn1)CC=Cc1c(OC)cccc1)C	PC-id_74803599	440.558	GPBTZDUJXKWEQO-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134061
O1CCC(CC1)C(=O)N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OCC=C)cccc1)C	PC-id_42238937	440.558	IZHOBFHKCRLLJJ-GOSISDBHSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134062
O1CCC(CC1)C(=O)N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OCC=C)cccc1)C	PC-id_42238940	440.558	IZHOBFHKCRLLJJ-SFHVURJKSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134063
O1CCC(CC1)C(=O)N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)C	PC-id_42439323	440.558	GPBTZDUJXKWEQO-SUQGKYDKSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134064
O1CCC(CC1)C(=O)N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)C	PC-id_42439328	440.558	GPBTZDUJXKWEQO-FZMUQLTDSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134065
O=C1NCC[NH+](C1CC(=O)NCc1n[nH]c2c1CCCCC2)Cc1cc(c(OC)cc1)C	PC-id_74414934	440.558	DKZDLUXLBQFUCS-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134066
O=C1NCC[NH+]([C@H]1CC(=O)NCc1n[nH]c2c1CCCCC2)Cc1cc(c(OC)cc1)C	PC-id_25279820	440.558	DKZDLUXLBQFUCS-NRFANRHFSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134067
O=C1NCC[NH+]([C@@H]1CC(=O)NCc1n[nH]c2c1CCCCC2)Cc1cc(c(OC)cc1)C	PC-id_25279822	440.558	DKZDLUXLBQFUCS-OAQYLSRUSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134068
O=C(NCc1n2CC[NH+](CC3=CCC(CC3)C(=C)C)CCc2nn1)c1oc(cc1)COC	PC-id_74787075	440.558	NQOZZBIOWSKANV-UHFFFAOYSA-O	00000000101011000101000000000010000000000000000000000000	31-01-134069
O=C(NCc1n2CC[NH+](CC3=CC[C@H](CC3)C(=C)C)CCc2nn1)c1oc(cc1)COC	PC-id_42275128	440.558	NQOZZBIOWSKANV-LJQANCHMSA-O	00000000101011000101000000000010000000000000000000000000	31-01-134070
O=C(NCCc1n2CC[NH+](CC(Cc3cc4OCOc4cc3)C)CCc2nn1)C1CCC1	PC-id_74808157	440.558	PJZWINPJAMLGAY-UHFFFAOYSA-O	00001010100000100101000000001010000000000000000000000000	31-01-134071
O=C(NCCc1n2CC[NH+](C[C@@H](Cc3cc4OCOc4cc3)C)CCc2nn1)C1CCC1	PC-id_42500392	440.558	PJZWINPJAMLGAY-QGZVFWFLSA-O	00001010100000100101000000001010000000000000000000000000	31-01-134072
O=C(NCCc1n2CC[NH+](C[C@H](Cc3cc4OCOc4cc3)C)CCc2nn1)C1CCC1	PC-id_42500394	440.558	PJZWINPJAMLGAY-KRWDZBQOSA-O	00001010100000100101000000001010000000000000000000000000	31-01-134073
s1c2CCCCCc2cc1C(=O)NNC(=O)NCc1cc(CN2CCCC2=O)ccc1	PC-id_78890500	440.558	WPAADINOIPVTIW-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-134074
s1c2c(CCCCC2)c(c1NC(=O)CCN1C(CCC1)C(=O)NCc1occc1)C#N	PC-id_85505097	440.558	DLYWJYVJKFWZRF-UHFFFAOYSA-N	00000010101000000100000000000010000000000000000000000000	31-01-134075
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)c1oc(cc1)C)C#N	PC-id_56382711	440.558	ZREQIPLEDNGHRT-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-134076
s1c2c(CCCCC2)c(c1NC(=O)CCN1[C@H](CCC1)C(=O)NCc1occc1)C#N	PC-id_38774752	440.558	DLYWJYVJKFWZRF-LJQANCHMSA-N	00000010101000000100000000000010000000000000000000000000	31-01-134077
s1c2c(CCCCC2)c(c1NC(=O)CCN1[C@@H](CCC1)C(=O)NCc1occc1)C#N	PC-id_38774754	440.558	DLYWJYVJKFWZRF-IBGZPJMESA-N	00000010101000000100000000000010000000000000000000000000	31-01-134078
s1c2CCCCCc2c(c1NC(=O)CCN(CC(=O)Nc1cc(OC)ccc1)C)C#N	PC-id_27241254	440.558	KCVBGYNSIDSLCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134079
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)c1oc(cc1)C)C)C#N	PC-id_56383211	440.558	GJTKFWQDAHCLDM-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-134080
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc(NC(=O)C(OC)C)ccc1)C)C#N	PC-id_60590791	440.558	BYYRRKPMGWFWDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134081
s1c2CCCCCc2c(c1NC(=O)CN(CC)CC(=O)Nc1cc(OC)ccc1)C#N	PC-id_27219224	440.558	DUTUSYYOCKMXSG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134082
s1c2CCCCCc2c(c1NC(=O)CN(CC)CC(=O)Nc1c(OC)cccc1)C#N	PC-id_27219655	440.558	CLZRPHNYGKNNTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134083
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)C	PC-id_76858555	440.558	NXVQMEHICVBKSP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134084
Cc1ccc(cc1)c1nnc(n1CC(=O)NNC(=O)c1cc2c(s1)CCCCC2)[S-]	PC-id_29911532,GD-id_ZINC21971120	440.562	IPTSTZIMTDYUNB-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-134085
CCC(C)C(=O)NCc1nnc2CCN(CCn12)C(=O)CCc1nc2ccccc2s1	MCULE-6636446175,PC-id_45221732,EMOLS-id_232756977	440.562	VESMDOZEWQEYCT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134086
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2	ZINC22_14963806	440.562	VESMDOZEWQEYCT-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134087
CC[C@H](C)C(=O)NCc1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2	ZINC22_14963810	440.562	VESMDOZEWQEYCT-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134088
COc1cncc(n1)N1CCN(CC1)C(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	PC-id_86959662	440.562	ZLYNDVQPFVWNSU-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-134089
COCCC(=O)NC(C)c1nnc2CCN(Cc3cnc(s3)c3ccccc3)CCn12	EMOLS-id_20397488,MCULE-5575160257,PC-id_45169842	440.562	QMTYMBCWQGKURV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134090
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	CoCoCo_1128419,ZINC22_11882332,CoCoCo_1128420	440.562	QMTYMBCWQGKURV-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134091
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	ZINC22_11882331,CoCoCo_1128422,CoCoCo_1128421	440.562	QMTYMBCWQGKURV-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134092
S(=O)(=O)(NCc1n2CCN(CCc2nn1)Cc1ccc(N(C)C)cc1)c1ccccc1	PC-id_28956574	440.562	BKPCCFHSUXGNSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134093
O=CN/C=C(/c1cccc(c1F)NC(=O)c1cc2c(s1)CCCCC2)C=C(C(C)C)/C	PC-id_143646160	440.573	MGBJMWUVEYZUHH-NXQWLRIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134094
Cc1c(ccc(c1)c1nn(c(c1)CC(C)C)CC(=O)N1CCc2c(CC1)sc(n2)C)F	PC-id_89608024,SCHEMBL15002113	440.577	XIPNJJUYAOBHIB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134095
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=N)N1CCCc2c(C1=N)csc2	PC-id_141859818	440.577	DWOWYMDZXCCBAD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134096
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(F)cc1)C#N	PC-id_22195895	440.577	JTGXVQLDKPZHPZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134097
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(F)ccc1)C#N	PC-id_22195695	440.577	BIDMDISBUBFTRE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134098
c1(c2CCCCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccccc1OCC	EMOLS-id_2124090,ZINC22_1215302,TIMTEC238001,PC-id_1369108,MCULE-1206920970,CoCoCo_737104	440.578	JHMIAXBDNGQWSM-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-134099
c1(c2CCCCCc2sc1NC(=O)c1cccs1)C(=O)Nc1ccc(cc1)OCC	PC-id_2854293,EMOLS-id_2362755,CoCoCo_1797055,MCULE-9280616235,ZINC22_3100274	440.578	YSTHYIBWBRJYIX-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-134100
Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc3c(s2)CCCCC3)cs1	ZINC22_9128271,CoCoCo_2861404,MCULE-6834170494,PC-id_4783852,EMOLS-id_3397567	440.578	IUUTYMWTBJNGMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134101
COc1ccccc1N1CCN(CC1)CCCN1CCC(c2c(C1=O)c(C)cn2C)OC	PC-id_18388580,SCHEMBL6774683	440.578	WABGRBVHZIPEIW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134102
N(=Nc1ccc(C(c2ccccc2)c2ccccc2)cc1)c1c2-c(c(cc(cc2C)C)C)cc1	PC-id_10622990	440.578	MCKFOERKKWFQMH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134103
s1c2CCCCCc2cc1C(=O)Nc1cc(NS(=O)(=O)c2ccccc2)c(cc1)C	PC-id_52605678	440.578	STLHVIREAWJJKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134104
s1c(NC(=O)C[NH+]2C(CCC2)c2c(OC)cc(OC)cc2)c(c2CCCCCc12)C#N	PC-id_85459574	440.578	IHAZQFCTUXNKOD-UHFFFAOYSA-O	00000010100000110100100000000010000000000000000000000000	31-01-134105
s1c(NC(=O)C[NH+]2[C@@H](CCC2)c2c(OC)cc(OC)cc2)c(c2CCCCCc12)C#N	PC-id_26648414	440.578	IHAZQFCTUXNKOD-FQEVSTJZSA-O	00000010100000110100100000000010000000000000000000000000	31-01-134106
s1c(NC(=O)C[NH+]2[C@H](CCC2)c2c(OC)cc(OC)cc2)c(c2CCCCCc12)C#N	PC-id_26648417	440.578	IHAZQFCTUXNKOD-HXUWFJFHSA-O	00000010100000110100100000000010000000000000000000000000	31-01-134107
CN(Cc1ccccc1)/C=Cc1ccccc1C(=O)N(C1CCc2c(CC1)c[nH]n2)C1CC1	SCHEMBL19048378	440.58	RJPHHORUJHRBLO-ZCXUNETKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-134108
O=C1N(CCCN2CCN(CC2)c2ccccc2)CC=Cc2c1ccn2Cc1ccccc1	PC-id_22737996,SCHEMBL6773305	440.58	QPNLEBQRXSQOGS-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-134109
O=C1N(CCCN2CCN(CC2)c2ccccc2)CC=Cc2c1cn(c2)Cc1ccccc1	SCHEMBL6769936,PC-id_22738094	440.58	TVURZJSXTIEMLZ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-134110
s1c2c(CCCCCC2)c(c1NC(=O)CSC1NC(N)CC(=O)N1)C(=O)OCC	PC-id_78342005	440.58	BGGOIULQVKKPLS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-134111
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3ccc(c(C)c3)OC)CCn12	MCULE-9534031307,EMOLS-id_20498629,PC-id_45193203,ChEMBL-DNDi_CHEMBL27552909	440.582	GVNMZJNUOYSVHD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134112
Cc1cccc(c1)OCCNC(=O)C(N1CCN(CC1)Cc1nnc2n1CCCCC2)C	MCULE-5488589778,EMOLS-id_31953741,PC-id_47035031	440.582	FKVIXUPPGXJCSE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134113
Cc1cccc(OCCNC(=O)[C@H](C)N2CCN(Cc3nnc4n3CCCCC4)CC2)c1	PC-id_52284945,ZINC22_48260565	440.582	FKVIXUPPGXJCSE-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134114
Cc1cccc(OCCNC(=O)[C@@H](C)N2CCN(Cc3nnc4n3CCCCC4)CC2)c1	ZINC22_48260563,PC-id_52284943	440.582	FKVIXUPPGXJCSE-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134115
CCN(CC)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)cc1	PC-id_45188625,EMOLS-id_20478621,MCULE-7218914543	440.582	TXGFTGVWOUKYKZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134116
CCN(CC)c1ccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc1	CoCoCo_1240786,PC-id_28956193,ZINC22_20453238,CoCoCo_1240788	440.582	TXGFTGVWOUKYKZ-OAQYLSRUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134117
CCN(CC)c1ccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)cc1	CoCoCo_1240787,CoCoCo_1240789,PC-id_28956192,ZINC22_20453236	440.582	TXGFTGVWOUKYKZ-NRFANRHFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134118
CCNC(=NCc1cc2OC(Cc2cc1OCC)C)NCCc1nnc2n1CCCCC2	PC-id_111381704	440.582	XDCGEDAVFPYMPX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-134119
CCNC(=NCc1cccc(c1OC1CCCC1)OC)NCc1nnc2n1CCCCC2	PC-id_111564761	440.582	YPCWLRLPZABTKT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134120
CCNC(=NCc1ccc(cc1OC1CCOC1)C)NCCc1nnc2n1CCCCC2	PC-id_109742983	440.582	HLCHLRNBAQZNBP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134121
CCNC(=NCc1ccc(cc1OCC1CCOC1)C)NCc1nnc2n1CCCCC2	PC-id_109602420	440.582	JGOWJACEFTZLEZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134122
CCOc1cc2CC(Oc2cc1CNC(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111382101	440.582	CQWGDCQJAIMCML-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-134123
CN=C(NCc1cccc(c1OC1CCCC1)OC)NCCc1nnc2n1CCCCC2	PC-id_111564492	440.582	JRXZBWKHPGRRRK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134124
CN=C(NCc1ccc(cc1OC1CCOC1)C)NCCCc1nnc2n1CCCCC2	PC-id_109741865	440.582	YHAAUSGKFJONGN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134125
CN=C(NCc1ccc(cc1OCC1CCCO1)C)NCCc1nnc2n1CCCCC2	PC-id_109708457	440.582	JSVBYFYOZUXHOR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134126
CN=C(NCc1ccc(cc1OCC1CCOC1)C)NCCc1nnc2n1CCCCC2	PC-id_109601994	440.582	PDWGZRBFDFJRJC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134127
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCN(C)CC4)n3CC2)cc1C	PC-id_29087460,CoCoCo_1269284,ZINC22_12204423,CoCoCo_1269283,CoCoCo_1269281,CoCoCo_1269282	440.582	GVNMZJNUOYSVHD-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134128
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCN(C)CC4)n3CC2)cc1C	ZINC22_12204418,CoCoCo_1269280,CoCoCo_1269277,CoCoCo_1269278,PC-id_29087458,CoCoCo_1269279	440.582	GVNMZJNUOYSVHD-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134129
COc1cc(OC)cc(c1)C1CCN(C1)C(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112086749	440.582	RAAWLZZXYIXERP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-134130
O=c1n2CCCCCc2nn1CC(=O)N(CCCCCC1NNC(C1)c1ccccc1)C	PC-id_76289407	440.582	XJLIBGIYOSIJJT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-134131
O=c1n2CCCCCc2nn1CC(=O)NCCCCN1CCN(CC1)c1cc(ccc1)C	PC-id_55662296	440.582	BTPSXEBFIIEXTD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134132
O=c1n2CCCCCc2nn1CC(=O)NCCCCN1CCN(CC1)Cc1ccccc1	PC-id_55934295	440.582	TWBQOOXAWQHCQJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134133
O=c1n2CCCCCc2nn1CC(=O)NC(CCN1CCN(CC1)c1cc(ccc1)C)C	PC-id_55662593	440.582	BXSINWGIIYETAR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134134
O=C(NCc1n2CC[NH+](CCc2nn1)CC=Cc1c(OC)cccc1)C1C[NH+](CCC1)C	PC-id_74802427	440.582	FAPVEGGLRXKIHW-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-134135
O=C(NCc1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)[C@H]1C[NH+](CCC1)C	PC-id_42428748	440.582	FAPVEGGLRXKIHW-CPSHHHPTSA-P	00000000100010110101000000000010000000000000000000000000	31-01-134136
O=C(NCc1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)[C@@H]1C[NH+](CCC1)C	PC-id_42428750	440.582	FAPVEGGLRXKIHW-IEJURRBGSA-P	00000000100010110101000000000010000000000000000000000000	31-01-134137
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2c(n1)cccc2)CCOC)C#N	PC-id_40926714	440.582	VGTGNVJAHRKIRF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134138
s1c2CCCCCc2c(c1NC(=O)CSc1ncc(C(=O)N2CCCC2)cc1)C#N	PC-id_45777262	440.582	RXXBKKYMQJUGOU-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-134139
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(Cn2nccc2)cc1)C(=O)OC	PC-id_20170662	440.582	QKUKWYMZJLNAKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134140
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(Cn2nccc2)ccc1)C(=O)OC	PC-id_20171606	440.582	IZKAEEDPLJRXSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134141
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccccc1)C(=O)OC	PC-id_20167823	440.582	KAFAHWGMDZSTRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134142
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2ccccc2)cc1)C(=O)OC	PC-id_20171018	440.582	MEQLXOSFTAHGNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134143
s1c2c(CCCCC2)c(c1NC(=S)NCc1ccc(n2nccc2)cc1)C(=O)OC	PC-id_20170336	440.582	VXWINYUGYMAQJC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134144
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)C)C#N	PC-id_20127175	440.585	SKHWKYMOANWOIN-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-134145
CCCCCCC(=O)OCC1(COC(=O)CCCCCC)COc2c(OC1)csc2	PC-id_67509931,SCHEMBL2715800	440.593	VFRWJYPNQCHJFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134146
CCOc1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)c1sc2c(c1)CCCCCC2	PC-id_112804111	440.598	POOMZWXBOJTJLA-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134147
O=C1CCC(CC1)[C@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL18578001	440.598	SIUMCZHPLSKWPS-MRXNPFEDSA-N	00000000100010101100000000000010000000000000000000000000	31-01-134148
s1c2c(CCCCC2)c(c1NC(=O)CN1CCC(CC1)Cc1ccccc1)C(=O)OC	PC-id_22198129	440.598	ANTHJRQPHQNBON-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134149
s1c2c(CCCCCC2)cc1C(=O)NC1CCN(CC1)C(=O)Cc1c(OC)cccc1	PC-id_56276674	440.598	PQAYRZSYWDVMCJ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134151
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cc2c(s1)CCCCC2	CoCoCo_4439686,ZINC22_9992425,MCULE-9687024155,EMOLS-id_24000761,PC-id_41311888	440.6	NFERPUIAWVWWFI-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-134152
c1(NC(=O)CCC(=O)N2CCN(CC2)c2cccc(C)c2C)sc2c(CCCCC2)n1	EMOLS-id_334776101,MCULE-5822689049	440.601	KQPURHACCGEGOO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134153
c1(NC(=O)CCC(=O)N2CCN(CC2)Cc2ccc(cc2)C)sc2c(CCCCC2)n1	EMOLS-id_334789669,MCULE-5538207029	440.601	KTCGGJACWOGTFR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134154
c1(NC(=O)CCC(=O)N2CCN(CC2)Cc2ccccc2C)sc2c(CCCCC2)n1	MCULE-3991621803,EMOLS-id_334816295	440.601	DQKRYTDTTHSOPR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134155
c1(NC(=O)CCC(=O)N2CCN(CC2)Cc2cccc(C)c2)sc2c(CCCCC2)n1	MCULE-9165690469,EMOLS-id_334799407	440.601	ZCJWGQMQPAAUSO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134156
c1(NC(=O)CCC(=O)Nc2ccc(cc2)N2CCC(C)CC2)sc2c(CCCCC2)n1	EMOLS-id_335094785,MCULE-2471117802	440.601	CRYGEKVZQBWHPC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134157
c1(NC(=O)CCC(=O)NC2CCN(Cc3ccccc3)CC2)sc2c(CCCCC2)n1	EMOLS-id_335088386,MCULE-8181716145	440.601	IYLZEIJFCHTSCL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134158
C/C=CC=C(C1=NC(CC(=O)OC(C)(C)C)C(=N)N(c2c1c(C)c(s2)C)C(=N)C)/C=C	PC-id_144280285	440.601	AJQNWKHPAQJXPQ-VPEXFSESSA-N	00000000100000000111000000000010000000000000000000000000	31-01-134159
N#Cc1ccc(cc1)C[C@@H]1NC(=O)C(C)CCC[C@](CCCN(c2nc1cs2)C)(C)O	SCHEMBL19606858	440.601	LAZPQIRMMPAPAL-OUSZHMKWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134160
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCN1CCN(CC1)c1ccccc1	PC-id_29353977	440.601	CSTGRYRKGQLWLE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134161
O1CCC(CC1)C(=O)NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C	PC-id_74498246	440.602	LIVJZXGWNHYUCS-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134162
O1CCC(CC1)C(=O)N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C	PC-id_26339522	440.602	LIVJZXGWNHYUCS-LJQANCHMSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134163
O1CCC(CC1)C(=O)N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C	PC-id_26339524	440.602	LIVJZXGWNHYUCS-IBGZPJMESA-O	00000000100010110101000000000010000000000000000000000000	31-01-134164
O=C(NCCc1n2CC[NH+](CC(CCC=C(C)C)C)CCc2nn1)c1ccc(OC)cc1	PC-id_74813762	440.602	MQWPBZJDPUUZSM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134165
O=C(NCCc1n2CC[NH+](C[C@H](CCC=C(C)C)C)CCc2nn1)c1ccc(OC)cc1	PC-id_42541267	440.602	MQWPBZJDPUUZSM-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134166
O=C(NCCc1n2CC[NH+](C[C@@H](CCC=C(C)C)C)CCc2nn1)c1ccc(OC)cc1	PC-id_42541271	440.602	MQWPBZJDPUUZSM-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134167
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1sc(nn1)N)C(=O)OCC	PC-id_23861705	440.603	PKFFUOUNYIEPQI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134168
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1sc(nn1)N)C)C(=O)OCC	PC-id_24162530	440.603	ALJMFTIQYLUYKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134169
S(=O)(=O)(N1CCSCC1)c1cc([nH]c1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56132474	440.603	QYJPIXJTVHYPTE-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-134170
CCNC(=NCC(c1cc2c(s1)cccc2)O)NCCCc1nnc2n1CCCCC2	PC-id_109728299	440.605	CVBZAWGZEBMTMH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134171
c12c(c(c[c+](cc1C)C)C)C=CC2=C[C+]1C=C/C(=C/c2c3-c(c(cc(cc3C)C)C)cc2)/C=C1	PC-id_54680321	440.618	WWZCOUCKXJFQPG-UHFFFAOYSA-N	00000011100011000110000000000010000000000000000000000000	31-01-134172
c1(c2CCCCCc2sc1NCc1sccc1C)C(=O)Nc1ccccc1OCC	MCULE-2460088859,EMOLS-id_9920575,CHEMBL1357682,CoCoCo_2720550,PC-id_4105001,SCHEMBL10077928	440.621	NVGACYLHRKECKK-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-134173
c1(c2CCCCCc2sc1NCc1sccc1C)C(=O)Nc1ccc(cc1)OCC	SCHEMBL10077919,MCULE-1836978106,CoCoCo_2720545,CHEMBL1553803,EMOLS-id_16406296,PC-id_3601607	440.621	JQZYCBPDXJNGRO-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-134174
CC(C)c1n[nH]c2c1CNCC(C2)CC(C)c1n[nH]c2c1CN(CCC2)C(=O)C(C)(C)C	SCHEMBL20053802,PC-id_134420838	440.625	CHYBDVJKKQRJJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134175
CCCCCOc1cc(C)ccc1CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109658795	440.625	PQULMVIZNXPWNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134176
CCNC(=NCc1ccc(cc1OCCC(C)C)C)NCCc1nnc2n1CCCCC2	PC-id_109626804	440.625	NEKDEOCGTGCSOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134177
CCNC(=NCc1ccc(cc1OC(CC)C)C)NCCCc1nnc2n1CCCCC2	PC-id_109678645	440.625	JWXIYXIHKKLJRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134178
CCNC(=NCc1ccc(cc1OC(C)(C)C)C)NCCCc1nnc2n1CCCCC2	PC-id_112087025	440.625	RRKWIQUSPBFFGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134179
CCNC(=NCC(c1ccc(cc1)C(C)(C)C)O)NCCCc1nnc2n1CCCCC2	PC-id_109493011	440.625	XOGVDVJNZMRZCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134180
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1ccc(cc1)OCC(C)C)C	PC-id_109748223	440.625	AAVAYNWJHQWSJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134181
CN=C(NCc1ccc(cc1OCCCC(C)C)C)NCCc1nnc2n1CCCCC2	PC-id_109709063	440.625	YPRYRHFBMLDSRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134182
CN=C(NCc1ccc(cc1OC(CC(C)C)C)C)NCCc1nnc2n1CCCCC2	PC-id_109743461	440.625	MPEFWZFXIUEMKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134183
CN=C(NCc1ccc(cc1OCCC(C)C)C)NCCCc1nnc2n1CCCCC2	PC-id_109626656	440.625	VFOXCDMBRLITFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134184
s1c2c(CCCCCCCCCC2)c(c1NC(=O)Cc1ccccc1)C(=O)NC(C)C	PC-id_23825742	440.641	DJXCBRPBLYKECZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134185
Brc1cc(sc1Br)C(Cl)c1sc2c(CCCCC2)c1	PC-id_80534222	440.644	AUSSTHJIWFXQEG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-134186
Brc1sc(Br)cc1C(Cl)c1sc2c(CCCCC2)c1	PC-id_55197573	440.644	YIHMBBUPBKGXMY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-134187
BrC(c1cc(c(s1)Cl)Br)c1cc2c(s1)CCCCC2	PC-id_113742995	440.644	DPHLBVJAMQZRBR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-134188
BrC(c1sc2c(CCCCC2)c1)c1sc(Br)c(Cl)c1	PC-id_80533666	440.644	QFCNXZLLSBWATF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-134189
CC[NH+](Cc1ccccc1C[NH2+][C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)C)CC	GD-id_ZINC28887730	440.645	HUFJDCRJTPDDAA-GOSISDBHSA-P	00000000100000110100000000000010000000000000000000000000	31-01-134190
O=C(NC(c1n2CC[NH+](CC(CC)CC)CCc2nn1)CC(C)C)c1cc(cc(c1)C)C	PC-id_74785931	440.645	XZVRFPMYPWSWQQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134191
O=C(N[C@@H](c1n2CC[NH+](CC(CC)CC)CCc2nn1)CC(C)C)c1cc(cc(c1)C)C	PC-id_42247333	440.645	XZVRFPMYPWSWQQ-HSZRJFAPSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134192
O=C(N[C@H](c1n2CC[NH+](CC(CC)CC)CCc2nn1)CC(C)C)c1cc(cc(c1)C)C	PC-id_42247335	440.645	XZVRFPMYPWSWQQ-QHCPKHFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134193
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(C1)CSc1ccccc1	PC-id_111749451	440.648	JEKKGGRYPVILPT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134194
CCC(CCCC)COCC1(COc2c(csc2)OC1)COCC(CCCC)CC	PC-id_86007176,SCHEMBL16323241,MCULE-1181389820,EMOLS-id_336516819	440.679	YYKZOERQHDYCMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134195
[O-]/[N+](=Cc1c2-c(c(c1[Si](C(C)(C)C)(C)C)/C=[N+](/C(C)(C)C)[O-])ccccc2)/C(C)(C)C	PC-id_140655880	440.693	CYACBHDXESCJDT-HJTNQMAYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-134196
[Si](C(C)(C)C)(c1c(c2-c(c1/C=[N+](/[O-])C(C)(C)C)ccccc2)/C=[N+]([O-])/C(C)(C)C)(C)C	PC-id_71566488	440.693	CYACBHDXESCJDT-HJVIKEODSA-N	00000010100000000110000000000010000000000000000000000000	31-01-134197
[Si](C(C)(C)C)(c1c(c2-c(c1C=[N+]([O-])C(C)(C)C)ccccc2)C=[N+]([O-])C(C)(C)C)(C)C	PC-id_78114375	440.693	CYACBHDXESCJDT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-134198
CCCCCCCCCCCCCCCCCc1ccc2-c1c(cccc2)OC(OC)C	PC-id_19996733,SCHEMBL9876233	440.701	GAWKMMJGPVGTLX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-134199
CCCCCCCCCCCCCCCCCc1ccc2-c1c(OCCOC)cccc2	SCHEMBL9876234,PC-id_54549477	440.701	ZIWQNOBCPMHVTC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-134200
C1CCc2c(CC1)n(nc2I)C(=O)c1c(cccc1Cl)C1CC1	PC-id_134168031,SCHEMBL19768769	440.706	QNJMGNPWSHFLCE-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-134201
s1c(N(C(C)C)C(C)C)c2SSSSSc2c1N(C(C)C)C(C)C	PC-id_85843286	440.797	VGCYVRBRIOBKJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134202
Clc1cccc(c1)n1ncc(c1C(F)(F)F)C(=O)Nc1nc2c(s1)CCCCC2	GD-id_ZINC22969554,PC-id_24666639	440.87	JXJZIHHAMDXZPD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134203
Clc1ccc(n2ncc(c2C(F)(F)F)C(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_46536662	440.87	QSCWIPBLVKRYIE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134204
Clc1cc2OCOc2cc1CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccn1	CoCoCo_1576450,PC-id_29023024,CoCoCo_1576449	440.883	ACGJSAJNRBDVSW-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-134205
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)Cl)c2)Cc1ccc(cc1)F	CoCoCo_2544572,EMOLS-id_16324696,PC-id_20964742,MCULE-6218352552	440.898	BKHZDNPCBKGFIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134206
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1Cl)c2)Cc1ccc(cc1)F	PC-id_20964773,MCULE-3851327235,EMOLS-id_16324758,CoCoCo_2544607	440.898	UTMDYZUUUZQTEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134207
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccccc1Cl)c2)Cc1cccc(F)c1	MCULE-5560300332,EMOLS-id_32633066,PC-id_53034550	440.898	ONHACDXIZBFCKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134208
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)Cl)c2)Cc1cccc(F)c1	PC-id_53034517,MCULE-3439489897,EMOLS-id_32632918	440.898	BRBVFTMMRRCUSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134209
Clc1cc2OCOc2cc1C[N@H+]1CCc2n(CC1)c(nn2)CNC(=O)c1ccccc1	GD-id_ZINC11976580	440.903	PMQFHIDRMVJXQW-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-134210
CCNC(=NCc1cc(Cl)ccc1OC(F)F)NCCc1nnc2n1CCCCC2	PC-id_111708705	440.918	XZDAWLYSDOTTOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134211
Clc1cc(ccc1C(=O)N1CCC=Cc2c1ccs2)NC(=O)c1cccc(c1C)F	PC-id_139785118	440.918	AXMWKYIAVVZULY-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-134212
Clc1c(C(=O)N2CCC=Cc3sccc23)ccc(NC(=O)c2c(ccc(F)c2)C)c1	PC-id_21467139,SCHEMBL6991700	440.918	SNNYVXGUCQZSFW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-134213
CN=C(NCc1cc(Cl)ccc1OC(F)F)NCCCc1nnc2n1CCCCC2	PC-id_111709157	440.918	XPIFQODOZATTSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134214
Clc1ccc(COc2c(OC)cc(C(=O)NCc3n4CCCCCc4nn3)cc2)cc1	PC-id_60520614	440.923	AWJUIQYNFCSRSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134215
Clc1c(C2CCN(CC2)CCCc2onc3c2CCCCC3)cc(cc1)C(F)(F)F	SCHEMBL7959473,PC-id_59939434	440.929	ZRQANUFDUQKAHN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134216
Clc1c(cc(C2CCN(CC2)CCCc2onc3c2CCCCC3)cc1)C(F)(F)F	PC-id_59939392,SCHEMBL7949118	440.929	ZOBHIQRSEFDUKS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134217
Clc1c(C2CCN(CC2)CCCc2n3CCCCCc3nn2)cc(cc1)C(F)(F)F	SCHEMBL7959113,PC-id_59939407	440.933	BCOIDZIORGUBPY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134218
Clc1c(cc(C2CCN(CC2)CCCc2n3CCCCCc3nn2)cc1)C(F)(F)F	PC-id_59939425	440.933	DWQSROREAHCWHV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134219
Clc1ccc(c2oc(C=CC(=O)Nc3sc4c(CCCCC4)c3C(=O)N)cc2)cc1	PC-id_73368380	440.942	GFLARUIOTGEUDT-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-134220
Clc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1O)CCCCC2	PC-id_145978636	440.942	KUNBSOFTPNYBFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134221
Clc1ccc(cc1)NC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccccc1O	PC-id_145967231	440.942	KFVNSRFUMCUUNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134222
Clc1cc(OC)c(C(=O)Nc2ccc(C(=O)N3CCCCc4sccc34)cc2)cc1	PC-id_57048993	440.942	ZXIGIDQNIFKRRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134223
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2c(OC)cccc2)c1	SCHEMBL8796903,PC-id_57285654	440.942	BZNIAVGFZPLFTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134224
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)c2c(OC)cccc2)cc1	PC-id_69954702,SCHEMBL6991644	440.942	JZBYJIZMWMWOIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134225
NC(=O)c1c(NC(=O)/C=C/c2ccc(c3ccc(Cl)cc3)o2)sc2c1CCCCC2	PC-id_17111637,ZINC22_8832478	440.942	GFLARUIOTGEUDT-ACCUITESSA-N	00000000101000110100100000000010000000000000000000000000	31-01-134226
COc1ccc(cc1Cl)S(=O)(=O)N(C)C1CCc2nn(CC3CC3)c(=O)n2CC1	MCULE-1918898109,EMOLS-id_97041945	440.944	GBMXDGYTLKGHOT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-134227
COc1ccc(cc1S(=O)(=O)N(C1CCn2c(CC1)nn(c2=O)CC1CC1)C)Cl	MCULE-8835471133,EMOLS-id_168571868	440.944	FOGOFXQXYNPSNP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-134228
Clc1cc(c2oc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)C4CC4)C)CC3)cc2)ccc1	PC-id_42423817	440.946	RRNIDSLXLTVNCX-OAHLLOKOSA-O	00100000101000110101100000000010000000000000000000000000	31-01-134229
Clc1cc(c2oc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)C4CC4)C)CC3)cc2)ccc1	PC-id_42423820	440.946	RRNIDSLXLTVNCX-HNNXBMFYSA-O	00100000101000110101100000000010000000000000000000000000	31-01-134230
Clc1cc(c2oc(C[NH+]3CCn4c(nnc4C(NC(=O)C4CC4)C)CC3)cc2)ccc1	PC-id_74802102	440.946	RRNIDSLXLTVNCX-UHFFFAOYSA-O	00100000101000110101100000000010000000000000000000000000	31-01-134231
Clc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_42421784	440.946	POTRYSAVILWPNO-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134232
Clc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_42421790	440.946	POTRYSAVILWPNO-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134233
Clc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_74801915	440.946	POTRYSAVILWPNO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134234
Clc1cc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)ccc1	PC-id_42539786	440.946	AZMPNRGGDQLRDV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134235
Clc1cc(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)ccc1	PC-id_42429865	440.946	GJVHBMBZHCWWJV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134236
O=C(CSc1nnc2n1CCCCC2)Nc1ccc(Cl)cc1C(=O)c1ccccc1	ZINC22_3451299,PC-id_2571547,EMOLS-id_3318482,CoCoCo_3082126,MCULE-7009096857	440.946	VVLJLXWFNGDJTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134237
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)N	CoCoCo_5138107,EMOLS-id_5565194,ZINC22_16047959,ChEMBL-DNDi_CHEMBLF2536-0980,MCULE-3849582027,PC-id_16799523	440.964	QTASVJYBWRIWHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134238
Clc1c(cc(S(=O)(=O)C)cc1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_78784324	440.964	LYVDYIKSEPXWKS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134239
Clc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)CC(C(C)(C)C)C(=O)NC	PC-id_76657239	440.964	KPEAYBJXOLCVLQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134240
Clc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)C[C@@H](C(C)(C)C)C(=O)NC	PC-id_58135653	440.964	KPEAYBJXOLCVLQ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134241
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(Cl)cc2)CC	SCHEMBL3130280,PC-id_25113815	440.966	GANJPVHUCZSXKG-JXAWBTAJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-134242
Clc1cc2C(=Cc3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68522641	440.966	GANJPVHUCZSXKG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-134243
c1(c(Cl)c(nn1C)C)C(=O)NC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_4127778,ZINC22_649487,TIMTEC530354,CoCoCo_6598009,MCULE-4874905625,SPECS-id_AK-968/41024577,PC-id_995922	440.967	WPGOUXIVWTUKOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134244
c1(NC(=S)NC(=O)c2c(Cl)cnn2C)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_849491,MCULE-9030315336,TIMTEC293876,BAS-01067121,CoCoCo_165523,SPECS-id_AK-968/40355058,PC-id_1114527,EMOLS-id_1305959	440.967	LRMGHJCXIOPIFH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134245
c1(NC(=S)NC(=O)c2c(Cl)cnn2C)sc2c(CCCCCC2)c1C(=O)OC	TIMTEC377117,MCULE-9005068204,EMOLS-id_4637444,ZINC22_2450205,PC-id_2045425,STOCK4S-89389	440.967	PGIGIFGQGBUYRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134246
Clc1cc(F)c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_20412305	440.982	CVXYEUNEGKQJJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134247
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1F	PC-id_20412229	440.982	LLDFJBLRSKFXIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134248
CCCC1C=CC=c2c(=C1)ccn2Cc1c(F)cc(cc1Cl)C(=N)NC1CCNCC1	SCHEMBL18977702	440.984	AAPIEMFJQPOVFJ-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-134249
CCCCS(=O)(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)Cl)CCCCC2	SCHEMBL4153089,PC-id_11719144	441.007	RENPJEMPJIJXMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134250
Clc1cn(nc1C)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_20174369	441.01	WEFULPAVPRVSFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134251
Clc1c(n(nc1)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_20174512	441.01	AGIFZZSFEIMSMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134252
Clc1cn(nc1)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_20174696	441.01	VBQSHLOFNSVREV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134253
Clc1cn(nc1)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_20174689	441.01	QXXCEKIOXZXIQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134254
Clc1cn(nc1)CCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_20176992	441.01	ZLZJLXPFNDNOPI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134255
C1=CC=NC(=C1)C[C@@H]2C(=O)NC3=C(C(=O)N2CC4=CC(=C(C=C4)C(=O)O)Cl)SC=C3	PC-id_164916605	441.055	UFXNDBRDNFIVNO-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-134256
CN1C2=CC(=CN2CCC(C1=O)NC(=O)C3=NC(=NC3)CC4=CC=CC=C4)Br	PC-id_148160480	441.08	KAOYBMITARGMCR-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-134257
Brc1c2c(n(c1Br)C)C(=O)NCCC2=NOCc1ccccc1	PC-id_70687056	441.117	GLYONXVTDGWRBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134258
C1CC2=C(CS(=O)(=O)C1)C(=NN2)C(=O)N3CCC(CC3)C4=CC=CC=C4C(F)(F)F	PC-id_147223640	441.133	CHODTTUBIYUIBT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134259
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)C=NO2)NC(=O)OCC3=CC=CC=C3	PC-id_147062968	441.19	BDNMTCVGTCALOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134260
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)N=CO2)NC(=O)OCC3=CC=CC=C3	PC-id_147509015	441.19	FIXQYQRAQSFGNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134261
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)ON=C2)NC(=O)OCC3=CC=CC=C3	PC-id_153005078	441.19	UYXQZWASJFDBDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134262
CC(C)C(C(=O)CC1CC2=CN=C(O2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_160673154	441.19	RNESHEVRUSYKSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134263
CC(C)C(C(=O)CC1CC2=NC=C(O2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_161688874	441.19	XENRSZBBAQYKHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134264
CC(C)C(C(=O)CC1CCC2=C(CNC(=O)C1=O)N=CO2)NC(=O)OCC3=CC=CC=C3	PC-id_161261595	441.19	VCPUNPFNAPXASK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134265
CC(C)C(C(=O)CC1CCC2=C(CNC(=O)C1=O)OC=N2)NC(=O)OCC3=CC=CC=C3	PC-id_147190079	441.19	CBGNWNCJCBOSFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134266
CC(C)C(C(=O)CC1CC2=NC=NN2CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_146731344	441.201	RHYJGPLWFGJQPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134267
CC(C)C(C(=O)CC1CC2=NN(CCNC(=O)C1=O)C=N2)NC(=O)OCC3=CC=CC=C3	PC-id_153251843	441.201	WTMINSCTKODWBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134268
CC(C)C(C(=O)CC1CC2=NN(CCNC(=O)C1=O)N=C2)NC(=O)OCC3=CC=CC=C3	PC-id_147281882	441.201	CSLSAWFZZCEVJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134269
CC(C)C(C(=O)CC1CC2=NN=CN2CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_160478146	441.201	QOYBUDNXQUDKIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134270
CC(C)C(C(=O)CC1CN2C=NC(=N2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_149367804	441.201	YJEWVOQYFFTHMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134271
CC(C)C(C(=O)CC1CN2N=CC(=N2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_160204026	441.201	PHCRTWHHKZBJTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134272
CC1=C2C(=C(N1)C(=O)NC3=C(C=CC(=C3)SN4CCCCCC4)OC)CCCCC2=O	PC-id_154950571	441.209	NALRBEWIMKTRIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134273
Ic1c(C(=O)NCc2n3CCCCCc3nn2)ccc([N+](=O)[O-])c1	PC-id_60621310	441.224	CCVJRLCMFWVSBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134274
Ic1c(C(=O)NCc2n3CCCCCc3nn2)cc([N+](=O)[O-])cc1	PC-id_60445054	441.224	OVBFXWPOUDXXTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134275
CCC1=NN(C2=C1C(=O)NCCCOCCC2)C[C@@H](C)COC(=O)C3=CC=C(C=C3)C=O	PC-id_153182613	441.226	WGLRUIVAGIHOLZ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134276
CCC1=CC=C(C=C1)C(=O)OC[C@H](C)CC2=NN(C3=C2CCCOCCCNC3=O)CC	PC-id_155171432	441.263	ROIWUZFQUUOSFV-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134277
COc1cc(OC)ccc1CN1C(=O)C(I)CCn2c1cc(n2)C	SCHEMBL18367099	441.263	FXFIMQBXRCGJPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134278
CC([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Br)C)O	PC-id_139471102,SCHEMBL21337098	441.3	SZUDTIDQVLWMHU-FFFFSGIJSA-N	00000000100000101111000000000010000000000000000000000000	31-01-134279
C[C@@H](C1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Br)C)O	PC-id_140762736	441.3	SZUDTIDQVLWMHU-QHGLUPRGSA-N	00000000100000101111000000000010000000000000000000000000	31-01-134280
C[C@@H]([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Br)C)O	SCHEMBL18352800	441.3	SZUDTIDQVLWMHU-JOYOIKCWSA-N	00000000100000101111000000000010000000000000000000000000	31-01-134281
CCCCCC(C)(C)OC(=O)CC1CCCCC2=C(C1(F)F)N=NN2C(C)(C)CCC	PC-id_155117293	441.317	RRTNRHCHAPYUJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134282
CCOC(=O)c1c(c(c2-c1ccc(cc2)Br)C=Nc1ccc(cc1)N(C)C)O	PC-id_136814870	441.318	IBXNLESJGIMVAG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134283
Brc1cc(Oc2c(C(=O)NCc3n4CCCCCc4nn3)cccc2)ccc1	PC-id_60496843	441.321	USMFOVFWIQRQQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134284
c1(sc2c(CCCCC2)n1)NC(=O)c1cc(OC)c(c(OC)c1Br)OC	EMOLS-id_334602866,MCULE-8476317633	441.339	NPBMNDIOHJRSGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134285
Brc1ccc(n2ncc(C(=O)Nc3sc4CCCCCc4c3C#N)c2)cc1	PC-id_75493434	441.344	DZTDIBLRUOGOAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134286
Brc1n2CCCN(Cc2c(n1)C(=O)NC(Cc1ncsc1)C(=O)NC)C	PC-id_66931631,SCHEMBL1173658	441.346	KXYSSKMWRTZKAB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134287
Brc1n2CCCN(Cc2c(n1)C(=O)N[C@@H](Cc1ncsc1)C(=O)NC)C	PC-id_57635117,SCHEMBL1173656	441.346	KXYSSKMWRTZKAB-NSHDSACASA-N	00000000100000000101000000000010000000000000000000000000	31-01-134288
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cc([N+](=O)[O-])c(c([N+](=O)[O-])c1)C	PC-id_19523765	441.361	BHHQGCHKBYMZFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134289
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)N	ZINC22_19633408,PC-id_3500516,MCULE-7982599423,CoCoCo_6827925,TIMTEC198916,EMOLS-id_4127970	441.371	HPYOYGBNFICREZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134290
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)N	MCULE-8287410044,SPECS-id_AK-968/13034828,TIMTEC424291,EMOLS-id_2440290,PC-id_2930980	441.371	RGXVTDNVAIWIEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134291
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(=O)N)CCCCCC2	CoCoCo_896343,PC-id_1744823,ZINC22_2086478	441.371	RGXVTDNVAIWIEN-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134292
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C(=O)N)CCCCCC2	PC-id_1744822,ZINC22_2086477,CoCoCo_896342	441.371	RGXVTDNVAIWIEN-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-134293
Clc1cc(NC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc1Cl	PC-id_4613661	441.371	KGQDDJGRWBJTNP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134294
Clc1cc(NC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)ccc1Cl	PC-id_4620446	441.371	KMRSDPAYXSUCKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134295
Clc1cc(NC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_4643963	441.371	ZNHMRHKUQDPWHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134296
COC(=O)c1c2-c(c(c1NC(=O)C)C(=O)OC)ccc(cc2)CC1C(=O)NC(=O)NC1=O	PC-id_141580525	441.391	NYVVZXAWYKMLON-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-134297
CCOC(=O)c1ccc2-c1ccc(cc2)Nc1c(F)cc(cc1F)N1C[C@@H](OC1=O)CN	PC-id_143555049	441.427	QIZSCFPEDGRVGQ-INIZCTEOSA-N	00000010100000110111100000000010000000000000000000000000	31-01-134298
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc2c1cc(OCC(F)(F)F)cc2	PC-id_55656037	441.427	CZIYLWKJMHXHBE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134299
Fc1cc(C(=O)Nc2cc(O)c(C(=O)NCc3n4CCCCCc4nn3)cc2)cc(F)c1	PC-id_60572609	441.431	JTAIEZOXYYHURU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134300
COCCOCCOC(=O)NC(C(=O)NC1Cc2nnc(o2)CNC(=O)C1=O)C(C)C	SCHEMBL21110209,PC-id_138731051	441.436	IALAPNFCIUAPQG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134301
COCCc1nn2c(c1)N(C)C(=O)[C@@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367433	441.459	LVIJWNZISUBYJB-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134302
COCCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367436	441.459	LVIJWNZISUBYJB-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134303
c1(NC(=O)COc2cccc(c2)C(F)(F)F)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4974232427,CoCoCo_1755109,ZINC22_8589816,PC-id_4004987,EMOLS-id_8313474	441.464	XQLVIQFLYWLGCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134304
CC1Cc2nn(c(c2CCN1C(=O)OC(C)(C)C)OS(=O)(=O)C(F)(F)F)C(C)C	SCHEMBL2075276,PC-id_86598398	441.466	ICEWYAVMARGYOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134305
CC1CN(CCc2c(n(nc12)C(C)C)OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C	PC-id_86598397,SCHEMBL2076338	441.466	PFPALGHDRHHOKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134306
CC1CN(CCc2nn(c(c12)OS(=O)(=O)C(F)(F)F)C(C)C)C(=O)OC(C)(C)C	PC-id_86598396,SCHEMBL2075815	441.466	VDZGMUADZHMGGM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134307
CC(C)(C)n1c(c2CCN(CCc2n1)C(=O)OC(C)(C)C)OS(=O)(=O)C(F)(F)F	PC-id_86598388,SCHEMBL2073728	441.466	ULLMBFNYVLUPEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134308
CCC(C)n1c(c2CCN(CCc2n1)C(=O)OC(C)(C)C)OS(=O)(=O)C(F)(F)F	SCHEMBL2076531,PC-id_87332296	441.466	DFHRBVNAXIBKRV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134309
S(c1n2CCCCCc2nn1)CC(=O)N(CC(=O)Nc1c(cccc1)C(F)(F)F)C	PC-id_60359158	441.47	GKKJFMZKERFOKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134310
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3c(cccc3F)F)CCn12	EMOLS-id_20465963,PC-id_45185684,MCULE-2016704547	441.474	LCKOAJFNNINWSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134311
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(cc3F)F)CCn12	EMOLS-id_20555109,PC-id_45166666,MCULE-2386709880	441.474	NEKUULHKNVXHFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134312
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3cccc(F)c3F)CCn12	PC-id_45201170,EMOLS-id_20533721,MCULE-9120437725	441.474	ITUJESOMQBOYPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134313
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3cc(F)cc(F)c3)CCn12	MCULE-1781518081,EMOLS-id_20436975,PC-id_45179001	441.474	ZXCKCBFDPRKOFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134314
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2	CoCoCo_1341238,ZINC22_20994607,CoCoCo_1341239	441.474	ZDTBWLNZRHIYHP-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134315
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2	CoCoCo_1341241,CoCoCo_1341240,ZINC22_20994610	441.474	ZDTBWLNZRHIYHP-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134316
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2	CoCoCo_1169407,PC-id_42168680,ZINC22_11788193,CoCoCo_1169406	441.474	WMHPQSNKHSKAFM-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134317
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2	PC-id_42168682,CoCoCo_1169409,ZINC22_11788194,CoCoCo_1169408	441.474	WMHPQSNKHSKAFM-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134318
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3cccc(F)c3F)CCn12	PC-id_45204550,EMOLS-id_20548413,MCULE-6644687819	441.474	ZDTBWLNZRHIYHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134319
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccc(F)c(F)c3)CCn12	PC-id_45176837,EMOLS-id_20427705,ChEMBL-DNDi_CHEMBL15526847,MCULE-8397372446	441.474	WMHPQSNKHSKAFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134320
CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3c(F)cccc3F)n2CC1	CoCoCo_1120755,CoCoCo_1120756,ZINC22_23128724,MCULE-9546691557,EMOLS-id_20391660,PC-id_30852096	441.474	DWNKCASWLOZHEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134321
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cccc(F)c3F)CCn12	EMOLS-id_20432085,ZINC22_19837032,CoCoCo_1175482,MCULE-7578876151,PC-id_28390487,CoCoCo_1175481	441.474	GOJOJZTXRSOSOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134322
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(F)cc3F)CCn12	EMOLS-id_20515813,ZINC22_20780468,CoCoCo_1294165,PC-id_29151899,MCULE-5890800093,CoCoCo_1294166	441.474	RWLQRZBQDNQHAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134323
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(F)c(F)c3)CCn12	CoCoCo_1162761,MCULE-7029119019,ChEMBL-DNDi_CHEMBL14825579,CoCoCo_1162762,PC-id_42449394,EMOLS-id_20422973,ZINC22_12184093	441.474	JHMNHGHMPMHWOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134324
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cc(F)cc(F)c3)CCn12	ZINC22_19885323,CoCoCo_1504424,EMOLS-id_20656967,CoCoCo_1504423,MCULE-7792321441,PC-id_28431648,ChEMBL-DNDi_CHEMBL67008133	441.474	WCOBJKWHDMYYPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134325
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3c(F)cccc3F)CCn12	CoCoCo_1280724,PC-id_29149559,ZINC22_20774115,MCULE-8832301956,EMOLS-id_20506495,CoCoCo_1280725	441.474	IXSHMPPJTLRKIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134326
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2cccc(F)c2F)CC3)c1	CoCoCo_1319913,ZINC22_20909918,CoCoCo_1319912	441.474	ITUJESOMQBOYPY-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134327
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2cccc(F)c2F)CC3)c1	CoCoCo_1319914,ZINC22_20909915,CoCoCo_1319915	441.474	ITUJESOMQBOYPY-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134328
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(F)cc2F)CC3)c1	ZINC22_20997720	441.474	NEKUULHKNVXHFY-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134329
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(F)cc2F)CC3)c1	ZINC22_20997722	441.474	NEKUULHKNVXHFY-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134330
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2cc(F)cc(F)c2)CC3)c1	CoCoCo_1182344,CoCoCo_1182345,ZINC22_19838677	441.474	ZXCKCBFDPRKOFU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134331
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2cc(F)cc(F)c2)CC3)c1	CoCoCo_1182346,CoCoCo_1182347,ZINC22_19838675	441.474	ZXCKCBFDPRKOFU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134332
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2c(F)cccc2F)CC3)c1	CoCoCo_1222433,CoCoCo_1222434,ZINC22_20212088	441.474	LCKOAJFNNINWSP-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134333
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2c(F)cccc2F)CC3)c1	CoCoCo_1222435,ZINC22_20212084,CoCoCo_1222436	441.474	LCKOAJFNNINWSP-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134334
COc1cc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)ccc1F	EMOLS-id_20495123,ZINC22_20599792,MCULE-3812658296,CoCoCo_1264221,PC-id_29086541,CoCoCo_1264222	441.474	ULKOYDQFCOCKFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134335
Fc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c(F)c1	EMOLS-id_20576945,CoCoCo_1383842,PC-id_26347074,MCULE-5950226186,CoCoCo_1383841,ZINC22_14992067	441.474	LSMXXQVFRPOUJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134336
s1c2c(CCCCC2)c(c1NC(=O)c1nn(c2ccc(F)cc2)c(=O)cc1)C(=O)OC	PC-id_52638633	441.475	XCNUGPNLKQETTQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134337
O=C(NC(C(=O)NC1Cc2ccc(o2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730708,SCHEMBL21109865	441.477	HGYJZJZPGWHSAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134338
CCOC(=O)c1nc2c(s1)N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)CCCC2	EMOLS-id_76028070,MCULE-5825183839,PC-id_121568047,ZINC22_328594084	441.479	OHJYPPVWVVEBRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134339
COc1cc(CN2CCc3n(CC2)c(nn3)CCNC(=O)c2cocc2)cc(c1O)OC	ChEMBL-DNDi_CHEMBL43016954	441.48	LNARPUMUPLJSTF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134340
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc(c1C(=O)OCC)c1ccccc1	PC-id_55583216	441.503	QDULEHCTCGMYLP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134378
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(OC)c(O)c2)CC3)o1	CoCoCo_1220170,ZINC22_20210936,PC-id_28739198,EMOLS-id_20464357,MCULE-5718461790,CoCoCo_1220169	441.48	HOYUSIWORGNYHQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134341
O=C(NC(C(=O)NC1Cc2ccnn2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731204,SCHEMBL21110364	441.48	RRBILGCTNZDZAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134342
O=C(NC(C(=O)NC1Cc2cncn2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109294,PC-id_138730143	441.48	CMAJNKIYAKWVDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134343
O=C(NC(C(=O)NC1Cc2nccn2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110305,PC-id_138731145	441.48	RZILTUVGLNLGBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134344
O=C(NC(C(=O)NC1Cc2ncn(c2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730335,SCHEMBL21109489	441.48	KNWHYGSBSZRYCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134345
O=C(NC(C(=O)NC1Cn2cnc(c2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730670,SCHEMBL21109827	441.48	AEZOIBSJMYTHGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134346
O=C1NC(=O)N(C(N)C1N(C(=O)Cn1nc2n(CCCCC2)c1=O)C)Cc1ccccc1	PC-id_76238899	441.484	SGOFNRYKPYSMQI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134347
CCc1c(F)ccc(c1F)NC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(O)(C)C	SCHEMBL21337133,PC-id_139471140	441.492	ASLGCVOLFHLUBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134348
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccc(c(OC)c3)F)CCn12	ChEMBL-DNDi_CHEMBL35952960,PC-id_45202390,MCULE-4515108181,EMOLS-id_20538861	441.499	SZCNYPGCOYAWNU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134349
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3cc(OC)ccc3F)CCn12	ChEMBL-DNDi_CHEMBL16436308,EMOLS-id_20433739,PC-id_45178223,MCULE-3303794385	441.499	BISOOOXJDZDTPJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134350
COc1ccc(F)c(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1	CoCoCo_1177731,CoCoCo_1177730,ZINC22_19837638	441.499	BISOOOXJDZDTPJ-OAQYLSRUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134351
COc1ccc(F)c(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1	CoCoCo_1177733,ZINC22_19837636,CoCoCo_1177732	441.499	BISOOOXJDZDTPJ-NRFANRHFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134352
COc1cc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)ccc1F	CoCoCo_1327512,ZINC22_12159229,CoCoCo_1327513	441.499	SZCNYPGCOYAWNU-OAQYLSRUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134353
COc1cc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)ccc1F	ZINC22_12159226,CoCoCo_1327515,CoCoCo_1327514	441.499	SZCNYPGCOYAWNU-NRFANRHFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134354
COCc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1	ZINC22_15071771,MCULE-2603257311,CoCoCo_1645927,PC-id_26403251,EMOLS-id_20748809,CoCoCo_1645926	441.499	MHYPHWNFDOCFBN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134355
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)N2CCCCC2)C)cc1	PC-id_42854941	441.499	GAWLEUYQSUSHKC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134356
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)NC2CCCCC2)cc1	PC-id_42855045	441.499	UIMWZAYATONLED-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134357
ON=C1CCN(C(=O)c2c1ccn2C)CCCN1CCN(CC1)C(=O)c1ccc(cc1)F	PC-id_142638784	441.499	BRYASADNFQDFND-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134358
N#Cc1c(NC(=O)COC(=O)C2CC(=O)N(C2)Cc2ccco2)sc2c1CCCCC2	EMOLS-id_3313379,MCULE-7765414608,PC-id_4876724	441.5	GRVOKHOTZUXCOW-UHFFFAOYSA-N	00000010101000000100000000000010000000000000000000000000	31-01-134359
N#Cc1c(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCCCC2	CoCoCo_3151833,ZINC22_9493681,PC-id_41094079	441.5	GRVOKHOTZUXCOW-CQSZACIVSA-N	00000010101000000100000000000010000000000000000000000000	31-01-134360
N#Cc1c(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)sc2c1CCCCC2	PC-id_41094080,ZINC22_9493682,CoCoCo_3151832	441.5	GRVOKHOTZUXCOW-AWEZNQCLSA-N	00000010101000000100000000000010000000000000000000000000	31-01-134361
N#Cc1c(NC(=O)COC(=O)CN2C(=O)C3C(C2=O)CC=CC3)sc2c1CCCCC2	MCULE-2063634918,EMOLS-id_3422066,PC-id_4847835	441.5	NUCGURZPRZYDBF-UHFFFAOYSA-N	00000010100011000100000000000110000000000000000000000000	31-01-134362
N#Cc1c(NC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)sc2c1CCCCC2	PC-id_98303821,CoCoCo_3114285,ZINC22_102377547	441.5	NUCGURZPRZYDBF-GJZGRUSLSA-N	00000010100011000100000000000110000000000000000000000000	31-01-134363
N#Cc1c(NC(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)sc2c1CCCCC2	ZINC22_13134226,CoCoCo_3114287,PC-id_51517961	441.5	NUCGURZPRZYDBF-HUUCEWRRSA-N	00000010100011000100000000000110000000000000000000000000	31-01-134364
N#Cc1c(NC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)sc2c1CCCCC2	ZINC22_97569683,CoCoCo_3114286	441.5	NUCGURZPRZYDBF-GASCZTMLSA-N	00000010100011000100000000000110000000000000000000000000	31-01-134365
s1c2CCCCCc2cc1C(=O)NNC(=O)c1noc(c2c(OC)ccc(OC)c2)c1	PC-id_56212905	441.5	UXQLTONXJNDPKW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134366
s1c2CCCCCc2cc1C(=O)OCc1onc(n1)CC(=O)Nc1c(OC)cccc1	PC-id_30506996	441.5	KUBRBVAXPYRMAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134367
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc2[nH]cnc2cc1)C)C(=O)OC	PC-id_24109875	441.5	ZGVWYINQRNVSSA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134368
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc2[nH]cnc2cc1)C(=O)OCC	PC-id_24082487	441.5	KFNNBYRMNHUUSR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134369
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)Cn1c2c(nc1)cccc2)C(=O)OC	PC-id_2395684	441.5	OLQXUNZUAPSCLW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134370
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNC(=O)c1ccc(OC)cc1)C#N	PC-id_41970146	441.5	QWZNSWWQFBHHPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134371
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNC(=O)c1cc(OC)ccc1)C#N	PC-id_35691362	441.5	JSUWDEULEITNOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134372
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1cc2[nH]cnc2cc1)C(=O)OC	PC-id_24163705	441.5	UQUWZMINNDEDKF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134373
O=C1Nc2c(/C/1=C/c1cc(c3-c1ccccc3)C)cc(cc2)S(=O)(=O)Nc1ccccn1	PC-id_59301650,SCHEMBL5003542	441.502	PJGWABQBXOCTDJ-HMAPJEAMSA-N	00000010100000101110000000001010000000000000000000000000	31-01-134374
O=C1Nc2c(C1=Cc1cc(c3-c1ccccc3)C)cc(cc2)S(=O)(=O)Nc1ccccn1	PC-id_69274852,SCHEMBL5003543	441.502	PJGWABQBXOCTDJ-UHFFFAOYSA-N	00000010100000101110000000001010000000000000000000000000	31-01-134375
CC(Oc1cc(Oc2nc3c(s2)C(=O)NCCC3)cc(c1)C(=O)Nc1ccn(n1)C)C	SCHEMBL2074358,PC-id_15953248	441.503	HVHPAYPABONLQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134376
Oc1cc(Oc2nc3c(s2)C(=O)N(CC(C3)(C)C)C)cc(c1)C(=O)Nc1ccn(n1)C	PC-id_67490373,SCHEMBL2669206	441.503	VLRBXQORZRBZHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134377
S(=O)(=O)(Nc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1)c1ccccc1	PC-id_55721191	441.503	CVGXZNXONXSCSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134379
S(=O)(=O)(Nc1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1)c1ccccc1	PC-id_56224311	441.503	VRSDMLKNECCGDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134380
FC(F)(F)Oc1ccc(CN2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)cc1	CoCoCo_4796609,PC-id_33969294,CoCoCo_4796608,MCULE-1154710594,EMOLS-id_27405010,ZINC22_26687730	441.514	UURPGJGGHOSDKC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134381
CC1(C)[C@H]2CC=C(CN3CCc4nnc(CNC(=O)c5c(F)cccc5F)n4CC3)[C@@H]1C2	PC-id_42398352,CoCoCo_1524654,CoCoCo_1524653,EMOLS-id_26016443,ZINC22_12079597,MCULE-7778195864	441.517	NHMPLVPRUFCALO-IRXDYDNUSA-N	00001000100011110101001000000010000000000000000000000000	31-01-134382
Fc1c(C(=O)NCc2n3CCN(CC4=CCC5C(C4C5)(C)C)CCc3nn2)c(F)ccc1	PC-id_74794909	441.517	NHMPLVPRUFCALO-UHFFFAOYSA-N	00001000100011110101001000000010000000000000000000000000	31-01-134383
O=C(c1c(F)cccc1F)NCc1nnc2n1CCN(CC2)CC1=CC[C@@H]2C[C@H]1C2(C)C	CoCoCo_1524651,CoCoCo_1524652	441.517	NHMPLVPRUFCALO-IAGOWNOFSA-N	00001000100011110101001000000010000000000000000000000000	31-01-134384
OCC([C@@H]1c2ccsc2CCN([C@H]1C(=O)OC)S(=O)(=O)c1ccc(cc1)OC)O	PC-id_139966440	441.518	JSYMTOPDDQLSGQ-XSRYCBBQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134385
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1oc(c2ccc(F)cc2)cn1	PC-id_41441611	441.518	SQQRVUWLSVKNDD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134386
S(=O)(=O)(N1C(C(c2c(scc2)CC1)C(O)CO)C(=O)OC)c1ccc(OC)cc1	PC-id_76633388	441.518	JSYMTOPDDQLSGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134387
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)C(O)CO)C(=O)OC)c1ccc(OC)cc1	PC-id_57133193	441.518	JSYMTOPDDQLSGQ-KVJCIMDZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134388
s1c2c(CCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_74552004	441.52	SVIOLVAZNDIQBZ-UHFFFAOYSA-M	00000000101011000100000000000010000000000000000000000000	31-01-134389
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_28249451	441.52	SVIOLVAZNDIQBZ-JKSUJKDBSA-M	00000000101011000100000000000010000000000000000000000000	31-01-134390
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_28249454	441.52	SVIOLVAZNDIQBZ-HOTGVXAUSA-M	00000000101011000100000000000010000000000000000000000000	31-01-134391
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_28249457	441.52	SVIOLVAZNDIQBZ-HZPDHXFCSA-M	00000000101011000100000000000010000000000000000000000000	31-01-134392
s1c2c(CCCCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)NCc1occc1	PC-id_28249460	441.52	SVIOLVAZNDIQBZ-CVEARBPZSA-M	00000000101011000100000000000010000000000000000000000000	31-01-134393
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)C(=O)CCCc1cccs1	CoCoCo_1166289,PC-id_42167401	441.522	JHAHYLHZJCIVHC-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-134394
s1c(C(=O)NCCc2n3CCCCCc3nn2)c(cc1NC(=O)c1cc(F)ccc1)C	PC-id_55790829	441.522	LODHNJXHNGUKHW-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-134395
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccc4c(OCO4)c3)CCn12	MCULE-7764034397,PC-id_45213519,EMOLS-id_20587157	441.523	PRZDBCQMKDBPSF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-134396
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(cc3)C(=O)OC)CCn12	EMOLS-id_20601259,MCULE-7417077425,PC-id_45216847	441.523	UXPZKQNFJVGRBL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134397
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	CoCoCo_1399006,ZINC22_14996784,CoCoCo_1399005	441.523	PRZDBCQMKDBPSF-DYESRHJHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-134398
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	CoCoCo_1399010,ZINC22_14996786,CoCoCo_1399009	441.523	PRZDBCQMKDBPSF-UTKZUKDTSA-N	00000010100000100101000000001010000000000000000000000000	31-01-134399
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	ZINC22_14996789,CoCoCo_1399003,CoCoCo_1399004	441.523	PRZDBCQMKDBPSF-LAUBAEHRSA-N	00000010100000100101000000001010000000000000000000000000	31-01-134400
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	ZINC22_14996792,CoCoCo_1399008,CoCoCo_1399007	441.523	PRZDBCQMKDBPSF-UWJYYQICSA-N	00000010100000100101000000001010000000000000000000000000	31-01-134401
CC(CN1CCc2nnc(CNC(=O)C3CCOC3)n2CC1)Cc1ccc2OCOc2c1	EMOLS-id_20646769,ChEMBL-DNDi_CHEMBL63849442,MCULE-2064988461,PC-id_45227724	441.523	ZQNFBKVXAVPDLE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-134402
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CNC(=O)[C@H]3CCOC3)n2CC1	CoCoCo_1488917,ZINC22_104464944,CoCoCo_1488921,PC-id_98586918	441.523	ZQNFBKVXAVPDLE-AEFFLSMTSA-N	00000010100000100101000000001010000000000000000000000000	31-01-134403
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CNC(=O)[C@@H]3CCOC3)n2CC1	CoCoCo_1488923,ZINC22_12217763,CoCoCo_1488919	441.523	ZQNFBKVXAVPDLE-SJLPKXTDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-134404
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CNC(=O)[C@H]3CCOC3)n2CC1	PC-id_98586916,CoCoCo_1488916,CoCoCo_1488920,ZINC22_104464940	441.523	ZQNFBKVXAVPDLE-WMZOPIPTSA-N	00000010100000100101000000001010000000000000000000000000	31-01-134405
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CNC(=O)[C@@H]3CCOC3)n2CC1	ZINC22_12217764,CoCoCo_1488922,CoCoCo_1488918	441.523	ZQNFBKVXAVPDLE-FUHWJXTLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-134406
CCN(CCC(=O)NCCOC)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049943,MCULE-9071548362,EMOLS-id_25387736	441.523	VTMXJHBZELEPIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134407
CCNC(=O)CCN(CCOC)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049936,EMOLS-id_25387732,MCULE-2337548717	441.523	RPIMJQPFPCKOJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134408
COCCNC(=O)[C@H](C(C)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332564	441.523	YYSAKFIJQUFAGP-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134409
COCCNC(=O)[C@@H](C(C)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332565	441.523	YYSAKFIJQUFAGP-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134410
COC(=O)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1	CoCoCo_1420076,ZINC22_19299924,CoCoCo_1420075,PC-id_28133462	441.523	UXPZKQNFJVGRBL-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134411
COC(=O)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1	CoCoCo_1420078,CoCoCo_1420077,ZINC22_19299926,PC-id_28133463	441.523	UXPZKQNFJVGRBL-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134412
N#Cc1c(NC(=O)COC(=O)CSc2nc3ccccc3o2)sc2c1CCCCC2	EMOLS-id_3406118,PC-id_4786689,CoCoCo_3063700,ZINC22_9316755,MCULE-6656505080	441.523	WCYZXYWFJUQNIP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134413
O1C(CN(CC1C)C(=O)c1ccc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C	PC-id_56095378	441.523	YCOXTXCWADUXGA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134414
O=C1N(CCCn2nc(cc12)C(=O)NC(C(C)C)C(=O)NCCOC)Cc1ccccc1	PC-id_46049887	441.523	YYSAKFIJQUFAGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134415
O=C(N1CCC(NC(=O)Cn2nc3n(CCCCC3)c2=O)CC1)Cc1c(OC)cccc1	PC-id_56276492	441.523	BUOHFBUPWCGWPW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134416
O=C(N1CCN(CC1)C(=O)CCc1ccc(OC)cc1)Cn1nc2n(CCCCC2)c1=O	PC-id_56127615	441.523	OTYGIBPQRSMGNY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134417
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12	MCULE-7883920347,EMOLS-id_20519347,PC-id_45197884	441.525	YZHHYDFEEKEVPC-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-134418
Cc1ccc(C)n1c1ccc(cc1)C(=O)N1CCc2nn(Cc3ccccc3)c(=O)n2CC1	MCULE-6075007902,EMOLS-id_97099508	441.525	SPCDIKALGHNEOY-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-134419
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	CoCoCo_1299257,PC-id_42349172,CoCoCo_1299258,ZINC22_12005129	441.525	YZHHYDFEEKEVPC-LJQANCHMSA-N	00000000101000110101100000000010000000000000000000000000	31-01-134420
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	ZINC22_12005133,CoCoCo_1299260,CoCoCo_1299259,PC-id_42349176	441.525	YZHHYDFEEKEVPC-IBGZPJMESA-N	00000000101000110101100000000010000000000000000000000000	31-01-134421
n12CCN(CCc1nnc2CCNC(=O)c1ccco1)Cc1ccc(cc1)c1ccccc1	MCULE-1318492315,CoCoCo_1493697,CoCoCo_1493696,PC-id_28375740,EMOLS-id_20649939,ZINC22_19813099	441.525	TZKZUMPDAOJXME-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-134422
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)Cc1ccc(cc1)c1ccccc1	CoCoCo_1377549,CoCoCo_1377548,EMOLS-id_20572841,MCULE-5206459829,ZINC22_14990397,PC-id_26345117	441.525	SWJQUTSWIUWJQW-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-134423
n12CCN(CCc1nnc2CNC(=O)Cc1ccccc1)Cc1cccc(c1)c1ccco1	CoCoCo_1356083,MCULE-2039369037,ZINC22_12280758,CoCoCo_1356082,EMOLS-id_20558339,PC-id_42500424	441.525	CVNOGGHATRDTOU-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-134424
n12CCN(CCc1nnc2CNC(=O)Cc1ccccc1)Cc1ccccc1c1ccco1	EMOLS-id_20506359,CoCoCo_1280529,CoCoCo_1280528,PC-id_42273304,ZINC22_11909391,MCULE-2991671577	441.525	ROJWKIUUNQQSMM-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-134425
N#CC(=C(c1ccccc1)OCC(=O)Nc1ccc(c(c1)C)C)c1nnc2n1CCCCC2	EMOLS-id_26057046,MCULE-4286440621,PC-id_3510351	441.525	QXLNHKFFJYUALR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134426
N#C/C(=C(c1ccccc1)/OCC(=O)Nc1ccc(c(c1)C)C)/c1nnc2n1CCCCC2	PC-id_5847327,CoCoCo_3165187,CoCoCo_3165188	441.525	QXLNHKFFJYUALR-LVWGJNHUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134427
O=C1N(CCCn2nc(cc12)C(=O)NCCc1c2c([nH]c1)ccc(c2)C)Cc1ccccc1	PC-id_20964716	441.525	RRSYMWGATHRAHA-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-134428
O(/C(=C(/c1n2CCCCCc2nn1)C#N)/c1ccccc1)CC(=O)Nc1cc(c(cc1)C)C	PC-id_16241611	441.525	QXLNHKFFJYUALR-YYDJUVGSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134429
Cc1noc(C)c1Cn1nc2CCC(CCn2c1=O)C(=O)NCCc1c(C)nn(C)c1C	EMOLS-id_207876806,MCULE-3363929168	441.527	NDQKSWUTVPOCLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134430
CCn1cc(CN(C)C(=O)C2CCc3nn(Cc4c(C)noc4C)c(=O)n3CC2)c(C)n1	EMOLS-id_207876809,MCULE-2945651692	441.527	VMVWFAMLQVYXGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134431
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1nc(sc1)c1cn(nc1)C)C#N	PC-id_55995745	441.527	LGOJMBIQRCIEID-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-134432
S(c1n2CCCCCc2nn1)CC(=O)C1C(=[N+](Cc2ccccc2)C(=O)N(C1=O)C)N	PC-id_78365697	441.527	YDWFFQQOSFIVFM-UHFFFAOYSA-O	00000000100011110101000000000010000000000000000000000000	31-01-134433
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nnc1SCc1ccc(cc1)C#N	PC-id_55577845	441.53	JMNQGHRWDNVYDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134434
CC(Cc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(c(c1)F)C)C	SCHEMBL19702852	441.538	GDPGNYAJDUYZOH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-134435
CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(c(c1)F)C	SCHEMBL19702848	441.538	CGNPHAKSKFJKKO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-134436
COC1CCN(C(=O)c2c1n(C)cc2)CCCN1CCC(CC1)C(=O)c1ccc(cc1)F	PC-id_22737919,SCHEMBL6772974	441.538	NZYRSMPAEAMMRR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134437
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCn1ccc2c1C(O)CCN(C2=O)C	PC-id_22011294,SCHEMBL6997997	441.538	KGTWRGDBCOSRMV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134438
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(C(O)CCN(C3=O)C)cc2)cc1	PC-id_10646818	441.538	PCHJTEIOVUWDBV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134439
Cc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1ccc(cc2)C(C)C	CHEMBL167044,PC-id_10388584	441.54	UCLCSTBISZZIKS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134440
Cc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1cccc(c2)C(C)C	PC-id_10411046,CHEMBL167588	441.54	DUYDXICLGPOYFY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134441
CCCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1ccccc2	CHEMBL166224,PC-id_10411045	441.54	MQXKSQJZLVZKMY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134442
OCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccccc1)C(=O)O)C	PC-id_139605597	441.54	KZFRJADWYLKCTF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134443
OC(=O)c1cc(c2-c1ccc(cc2)C(O)(C)C)CCCCNS(=O)(=O)c1ccccc1	PC-id_139605622	441.54	OCULPRPKGRJMAN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134444
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(c1)CCC)ccccc2	PC-id_9980751	441.54	BVLMZLDFEBANQF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134445
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(C(C)C)c1)ccccc2	PC-id_10048939	441.54	ZTYTUYRHLAQZSD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134446
CCCn1ccc2c1C(=O)N(CCCN1CCN(CC1)c1ccc(cc1)F)CC/C/2=N/O	PC-id_102005244	441.542	FXSLIMXBDFFOPX-ROMGYVFFSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134447
C[C@H]1CCCN(C1)CCCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F	CoCoCo_2544594,CoCoCo_2544596	441.542	LPWROIBPHOAHRT-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134448
C[C@@H]1CCCN(C1)CCCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F	CoCoCo_2544595,CoCoCo_2544597	441.542	LPWROIBPHOAHRT-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134449
Fc1ccc(cc1)CC(=O)N1CCCC(C1)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_86884593	441.542	PJQXMZRFTGZHRA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134450
Fc1ccc(CN2CCCn3nc(C(=O)NCCCN4CC(CCC4)C)cc3C2=O)cc1	PC-id_20964763	441.542	LPWROIBPHOAHRT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134451
Fc1ccc(N2CCN(CC2)CCCN2CCC(=NO)c3c(n(CCC)cc3)C2=O)cc1	PC-id_10670822	441.542	FXSLIMXBDFFOPX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134452
c1(NC(=O)C(=O)NN=CCCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4653298,MCULE-5555473938	441.543	DFIGIVDLKJSBTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134453
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/CCc2ccccc2)sc2c1CCCCC2	EMOLS-id_26349554,STOCK4S-76169,PC-id_9681140	441.543	DFIGIVDLKJSBTF-BUVRLJJBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134454
O=C(c1cccc(c1)NC(=O)C1CCCO1)NNC(=O)c1sc2c(c1)CCCCCC2	MCULE-1275478546,EMOLS-id_24113297,PC-id_42944476	441.543	XVPHIXADKJXKEX-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-134455
O=C(c1cccc(c1)NC(=O)[C@@H]1CCCO1)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_25601341,CoCoCo_4684018	441.543	XVPHIXADKJXKEX-SFHVURJKSA-N	00000010100000110100000000000010000000000000000000000000	31-01-134456
O=C(c1cccc(c1)NC(=O)[C@H]1CCCO1)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_25601346,CoCoCo_4684019	441.543	XVPHIXADKJXKEX-GOSISDBHSA-N	00000010100000110100000000000010000000000000000000000000	31-01-134457
s1c2CCCCCc2c(c1NC(=O)CNC(COc1ccccc1)(C)C(=O)OC)C#N	PC-id_56542107	441.543	RGNZHOHANKAHMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134458
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(CC)cc1)C(=O)OCC	PC-id_19660148	441.543	VDTQIYLZPLJTHY-ZVHZXABRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134459
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(CC)cc1)C(=O)OCC	PC-id_73634612	441.543	VDTQIYLZPLJTHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134460
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCCOc1c(OC)cc(cc1)C#N	PC-id_46471649	441.543	ASCGVJKIQRTXGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134461
C[C@@H](Sc1nc(c2ccccc2F)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4178809,ZINC22_9788868,CoCoCo_4178813,CoCoCo_4178807,PC-id_41213807,CoCoCo_4178811	441.545	WMGQDPMIACCHQN-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134462
C[C@H](Sc1nc(c2ccccc2F)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9788867,CoCoCo_4178812,CoCoCo_4178808,CoCoCo_4178814,CoCoCo_4178810,PC-id_41213806	441.545	WMGQDPMIACCHQN-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134463
C[C@@H](Sc1nncn1c1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4181365,ZINC22_9470727,PC-id_41084465	441.545	YQIFDFKHNBGVQR-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134464
C[C@H](Sc1nncn1c1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9470726,PC-id_41084464,CoCoCo_4181366	441.545	YQIFDFKHNBGVQR-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134465
Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccc(F)cc1	ZINC22_3395876,PC-id_2514347,CoCoCo_3097026,EMOLS-id_3299167,MCULE-3785705544	441.545	MXKVBEQDQSVWEO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134466
N#Cc1c(NC(=O)C(Sc2nncn2c2ccccc2F)C)sc2c1CCCCC2	PC-id_16366614,EMOLS-id_11815256,MCULE-7507184231	441.545	YQIFDFKHNBGVQR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134467
N#Cc1c(NC(=O)C(Sc2nnc([nH]2)c2ccccc2F)C)sc2c1CCCCC2	PC-id_16333085,MCULE-9151863417,EMOLS-id_11771633	441.545	WMGQDPMIACCHQN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134468
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)NC(=O)c1ccccc1n1cccc1	PC-id_139709940	441.545	GKSNJXYMHJYTBN-UHFFFAOYSA-N	00000000110000110100100000000010000000000000000000000000	31-01-134469
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(F)cccc1)C)C#N	PC-id_29924923	441.545	KXWSSHGSMGPRKH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134470
CCOc1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1	PC-id_29149633,EMOLS-id_20506753,MCULE-2778861731,ZINC22_20774329,CoCoCo_1281117,CoCoCo_1281116	441.546	HLXHBJLPTOFUTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134471
COc1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1C	PC-id_28391495,ZINC22_19837902,CoCoCo_1179100,CoCoCo_1179101,MCULE-6885192124,EMOLS-id_20434681	441.546	YOYNIYFGSBSCFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134472
N#CC(c1nnc2n1CCCCC2)C(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1C	PC-id_112821793	441.546	BXKLOISTVGEHDI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134473
s1c(C(=O)NCCc2n3CCCCCc3nn2)c(nc1c1cc(OC)c(OC)cc1)C	PC-id_55535241	441.546	XVBUSGGXYRGABZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134474
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)N1CCN(CC1)C	PC-id_55653148	441.548	CWXFTIXGBUOELA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-134475
COc1cc(CN2CCCc3cc(C(=O)N4CCOCC4)n(C(C)C)c3C2)cc(OC)c1	EMOLS-id_55735821,ZINC22_306131203	441.563	JYOLKRDWAIMJGB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134476
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1ccccc1)C(=O)OC	PC-id_19490889	441.563	FDXQVBRLFAUTFS-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-134477
Cc1c(ccc(c1)c1nn(c(c1)CC(C)C)CC(=O)N1CCc2c(CC1)sc(n2)N)F	PC-id_89608017,SCHEMBL15002106	441.565	YSMGDASBKQFJIK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134478
Cc1c(ccc(c1)c1nn(c(n1)CC(C)C)CC(=O)N1CCc2c(CC1)sc(n2)C)F	SCHEMBL15024270,PC-id_89623070	441.565	FGIVPGICWNFXSP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134479
CCC(c1nc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(c(c1)C)F)C	SCHEMBL15024523,PC-id_89623254	441.565	OEKFSEGCHSYUOT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134480
CCCCc1nc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(c(c1)C)F	PC-id_89623218,SCHEMBL15024478	441.565	VODRNNAYYZJIAH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134481
s1c2c(CCCCC2)c(c1NC(=O)CCSC1NC(O)CC(=O)N1)C(=O)OCC	PC-id_74214431	441.565	CWOFMYJOSOPYCT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-134482
s1c2c(CCCCC2)c(c1NC(=O)C(SC1NC(O)CC(=O)N1)C)C(=O)OCC	PC-id_74254246	441.565	DFVXVMVYCDNAKQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-134483
s1c2c(CCCCCC2)c(c1NC(=O)CCSC1NC(O)CC(=O)N1)C(=O)OC	PC-id_74204716	441.565	HJILXCQKSVLTHJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-134484
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(CC=Cc3ccc(cc3)OC)CCn12	PC-id_74799574,MCULE-9195021887	441.566	TWKDMDRFLQEBCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134485
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccc(cc3)OCC)CCn12	EMOLS-id_20543191,MCULE-7959273191,PC-id_45203342	441.566	GIKDRCKFJJMLFF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134486
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(c(C)c3C)OC)CCn12	EMOLS-id_20543247,PC-id_45203355,MCULE-5836649720	441.566	CIBXVBQCDJQJMS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134487
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3c(C)cc(c(C)c3)OC)CCn12	PC-id_45219117,EMOLS-id_20610677,MCULE-6059882913	441.566	FOFNBGGYPUEWEP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134488
Cc1noc(c1)CSc1ccccc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_4600659,EMOLS-id_23994013,PC-id_40135440,MCULE-7083108264	441.566	XVCMQTLSQFPJLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134489
Cc1scc(n1)COc1cccc(c1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_4348114,MCULE-5129276974,PC-id_45860035,EMOLS-id_44004003	441.566	JLHLWJJQYKUZKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134490
CC(C)[C@@H]1/C=C/C[C@@H](C(=NC)/C=C(/c2c(cnn2C)NC1=O)C=C)NC(=O)OC(C)(C)C	PC-id_137308761	441.566	ANWGGZDIRAZDIC-SMNAHITMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-134491
CCOc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1	CoCoCo_1333624,CoCoCo_1333625,ZINC22_257372016	441.566	GIKDRCKFJJMLFF-SIKLNZKXSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134492
CCOc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1	CoCoCo_1333627,ZINC22_20919232,CoCoCo_1333626	441.566	GIKDRCKFJJMLFF-DENIHFKCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134493
CCOc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1	CoCoCo_1333629,ZINC22_257372017,CoCoCo_1333628	441.566	GIKDRCKFJJMLFF-UGKGYDQZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134494
CCOc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1	CoCoCo_1333630,ZINC22_20919223,CoCoCo_1333631	441.566	GIKDRCKFJJMLFF-KNQAVFIVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134495
C/N=C/1C=C(/C=C)c2c(cnn2C)NC(=O)[C@@H](/C=C/C[C@@H]1NC(=O)OC(C)(C)C)C(C)C	SCHEMBL20465390	441.566	ANWGGZDIRAZDIC-FXOBMPLCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-134496
COc1cc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1C	CoCoCo_1434209,ZINC22_19607011,CoCoCo_1434210	441.566	FOFNBGGYPUEWEP-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134497
COc1cc(C)c(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1C	CoCoCo_1434212,CoCoCo_1434211,ZINC22_19607013	441.566	FOFNBGGYPUEWEP-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134498
COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1OC	CoCoCo_1295922,CoCoCo_1295921,PC-id_29152169,EMOLS-id_20517121,MCULE-8996592710,ZINC22_20781049	441.566	PJUHILJDMVSENQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134499
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)c(C)c1C	CoCoCo_1333719,ZINC22_20919323,PC-id_29219443,CoCoCo_1333720	441.566	CIBXVBQCDJQJMS-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134500
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)c(C)c1C	ZINC22_20919317,PC-id_29219440,CoCoCo_1333717,CoCoCo_1333718	441.566	CIBXVBQCDJQJMS-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134501
COc1ccc(OC)c(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c1	PC-id_29213194,CoCoCo_1320237,ZINC22_20910080,MCULE-1146420365,EMOLS-id_20533937,CoCoCo_1320238	441.566	FMGGIKJFDCZWQG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134502
COCC(=O)NC(CC(C)C)c1nnc2CCN(C/C=C/c3ccc(OC)cc3)CCn12	PC-id_45191498,EMOLS-id_25997977,ChEMBL-DNDi_CHEMBL26157928	441.566	TWKDMDRFLQEBCD-AATRIKPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134503
COCC(=O)N[C@@H](c1nnc2n1CCN(CC2)C/C=Cc1ccc(cc1)OC)CC(C)C	CoCoCo_1258531,CoCoCo_1258529	441.566	TWKDMDRFLQEBCD-QEVIJRNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134504
COCC(=O)N[C@H](c1nnc2n1CCN(CC2)C/C=Cc1ccc(cc1)OC)CC(C)C	CoCoCo_1258535,CoCoCo_1258533	441.566	TWKDMDRFLQEBCD-RMUOZIPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134505
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C/C=C/c1ccc(OC)cc1)CC2	CoCoCo_1258532,CoCoCo_1258530,PC-id_42365789,ZINC22_12034468	441.566	TWKDMDRFLQEBCD-YAQIIAKESA-N	00000000100000110101000000000010000000000000000000000000	31-01-134506
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C/C=C/c1ccc(OC)cc1)CC2	PC-id_42365787,CoCoCo_1258534,CoCoCo_1258536,ZINC22_12034467	441.566	TWKDMDRFLQEBCD-LYSGITKLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134507
O=C(c1cccc(c1)OCc1ncsc1)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_24531711,MCULE-6385971014,EMOLS-id_19775846,CoCoCo_4347681	441.566	SADBNHMNAFZUGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134508
OCCOc1cccc(c1)CN1CCc2n(CC1)c(nn2)CCNC(=O)C1CCCCC1	ChEMBL-DNDi_CHEMBL67641613	441.566	VLLQSKQQEFNUND-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134509
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(OCc2nc(sc2)C)cc1	PC-id_24488094	441.566	ZCLFJDDPQUQGHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134510
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(OCc2nc(sc2)C)cccc1	PC-id_24644264	441.566	VUWGGFNZFIOVPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134511
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OCc2nc(sc2)C)ccc1)C(=O)N	PC-id_55445849	441.566	JGQGGHZYLWPKOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134512
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1C(CCC1)C(=O)NCc1occc1)C#N	PC-id_85505096	441.566	DLYWJYVJKFWZRF-UHFFFAOYSA-O	00000010101000000100000000000010000000000000000000000000	31-01-134513
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1[C@H](CCC1)C(=O)NCc1occc1)C#N	PC-id_38774751	441.566	DLYWJYVJKFWZRF-LJQANCHMSA-O	00000010101000000100000000000010000000000000000000000000	31-01-134514
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1[C@@H](CCC1)C(=O)NCc1occc1)C#N	PC-id_38774753	441.566	DLYWJYVJKFWZRF-IBGZPJMESA-O	00000010101000000100000000000010000000000000000000000000	31-01-134515
s1c2CCCCCc2nc1NC(=O)c1ccc(S(=O)(=O)N(c2ccccc2)C)cc1	PC-id_16605132	441.566	WSYDLIUQHBPOMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134516
s1c2CCCCCc2nc1NC(=O)c1cc(S(=O)(=O)N(c2ccccc2)C)ccc1	PC-id_29859252	441.566	OTRTZGHWZYAJLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134517
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1sc2ncc(cc2c1C)C(=O)C	PC-id_30892944	441.566	JJQRZNILGDSKME-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-134518
c1(nnc(SCC(=O)Nc2sc3c(CCCCC3)c2C#N)n1CC)c1ccoc1C	ZINC22_9827059,EMOLS-id_4128402,PC-id_17375778,MCULE-4590020636,CoCoCo_6818882,TIMTEC241863	441.57	JLTNQUURFAMJIZ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134519
Cc1occc1c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C	CoCoCo_4176437,ZINC22_13127296,PC-id_25719533	441.57	DNMVUBXJSKUOKZ-ZDUSSCGKSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134520
Cc1occc1c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C	ZINC22_13127294,CoCoCo_4176438,PC-id_25719532	441.57	DNMVUBXJSKUOKZ-CYBMUJFWSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134521
CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccco1	CoCoCo_4173498,ZINC22_9789273,PC-id_41214085	441.57	NJQMIXCVDIVGSU-ZDUSSCGKSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134522
CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccco1	ZINC22_9789274,CoCoCo_4173499,PC-id_41214086	441.57	NJQMIXCVDIVGSU-CYBMUJFWSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134523
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)c1cc(OC)cc(c1)OC	PC-id_111924997	441.57	PEDFADKHWKAFCR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-134524
CN(CCC(=O)Nc1c(c2c(s1)CCCCC2)C#N)Cc1nc2c(c(=O)[nH]1)scc2	PC-id_136952556	441.57	WYJZVSFFAJICSB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134525
CN=C(NCc1nnc2n1CCCCC2)NCCc1ccc(cc1)NC(=O)OC(C)(C)C	PC-id_109635195	441.57	OSPWVHLKWGQMAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134526
COc1ccc(c(c1)CN1CCN(CC1)C(=NC)NCc1nnc2n1CCCCC2)OC	PC-id_111303249	441.57	GLAFVGLFWFZQBG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134527
COc1ccc(cc1)C(N1CCOCC1)CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_111309522	441.57	YSMBABLSQDZJNU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134528
COc1cc(CN2CCC(C2)NC(=NC)NCc2nnc3n2CCCCC3)cc(c1)OC	PC-id_109614848	441.57	DMTINPIYTQNVFN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134529
COc1cc(OC)cc(c1)N1CCC(C1)NC(=NC)NCCc1nnc2n1CCCCC2	PC-id_111925039	441.57	NRFRILLYTNDSMR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-134530
N#Cc1c(NC(=O)C(Sc2nnc(n2C)c2ccoc2C)C)sc2c1CCCCC2	EMOLS-id_11772383,PC-id_16333387,MCULE-4332931791	441.57	DNMVUBXJSKUOKZ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134531
N#Cc1c(NC(=O)C(Sc2nnc(n2CC)c2ccco2)C)sc2c1CCCCC2	MCULE-2761544312,EMOLS-id_11772611,PC-id_16333554	441.57	NJQMIXCVDIVGSU-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134532
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(CSc2n(C)cnn2)cc1	PC-id_24486885	441.57	KSEVDNCRFCRDDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134533
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1c(n[nH]c1=S)c1cc(ccc1)C	PC-id_24554117	441.57	QHQMDXNWHOTXBS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134534
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1c(n[nH]c1=S)c1ccc(cc1)C	PC-id_24554122	441.57	IPTSTZIMTDYUNB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134535
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1occc1)C#N	PC-id_19724366	441.57	WGLOYOUVCIPCDR-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134536
s1c2CCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1occc1)C#N	PC-id_19724481	441.57	WYRMNNLUCNPION-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134537
s1c2CCCCCc2nc1NC(=O)c1ccc(NC(=O)CSc2n(ccn2)C)cc1	PC-id_24611867	441.57	KTPBVEXGHGUAAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134538
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)c1occc1)C#N	PC-id_19724211	441.57	HGSLURHMNYOYJA-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134539
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)C)C#N	PC-id_19726066	441.57	OSZNJGOLKLBWQA-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134540
S1C(c2oc(c(c2N(C(=C1C)C)CC)C(=O)c1ccc(cc1)C)C(=O)OCC)(CC)C	PC-id_24774484	441.583	XLBVTFLDBZBUNF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-134541
CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)s1	ZINC22_16767650,MCULE-8223006502,EMOLS-id_31353854,PC-id_27325148	441.585	JEIVCPFEMIRPEX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-134542
c1(c2CCCCCc2sc1NC(=O)CN1CCCC1)C(=O)Nc1ccc(cc1)OCC	PC-id_3850514,ZINC22_8919197,EMOLS-id_2785820,MCULE-3637419957,CoCoCo_6724252	441.586	HMJSPIROOPIFNN-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-134543
c1(c2CCCCCc2sc1NC(=O)CN1CCCCC1)C(=O)Nc1ccccc1OC	EMOLS-id_2785874,TIMTEC77251,PC-id_3414342,MCULE-2788043454,CoCoCo_6724296,ZINC22_15946956	441.586	BJUSIEMYDJCGNK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134544
c1(c2CCCCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1ccccc1CC	EMOLS-id_2785230,TIMTEC62722,PC-id_3551722,MCULE-2571485525,CoCoCo_6723877,ZINC22_15946754	441.586	ATWVJWIGTFXGHY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134545
CCOc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC	EMOLS-id_3430729,MCULE-5852792936,CoCoCo_3578919,PC-id_4795561,ZINC22_13134916,CoCoCo_3578920	441.586	LKVYWCUCDKLUHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134546
CN(CCCc1c(/C=C/2C(=O)Nc3c2cc(cc3)S(=O)(=O)C)[nH]c2c1CCCCC2)C	PC-id_10343263,SCHEMBL6701340	441.586	RUJHHDINHHKYDP-HKWRFOASSA-N	00000010100000100100000000001010000000000000000000000000	31-01-134547
O=C1CCC(CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL18556066	441.586	PRQQQSBMXWDZNN-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-134548
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(N2CCN(CC2)CC)cc1	PC-id_16624107	441.586	AVYIPUCWGZSPBR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134549
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(cccc1)C)C(=O)OC	PC-id_22200610	441.586	SCDOQNYVTHECJS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134550
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccccc1)C(=O)OCC	PC-id_22198378	441.586	QANREKGUUTXBQW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134551
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)C(=O)OC	PC-id_2697476	441.586	CWDCLNTWJXYBQT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134552
s1c2CCCCCc2c(c1NC(=O)CN(Cc1cc(OC)c(OCC)cc1)CC)C#N	PC-id_16620431	441.586	BBONKOCKUVQLAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134553
s1c2CCCCCCc2cc1C(=O)Nc1cc(C(=O)N2CCN(CC2)C)ccc1OC	PC-id_56148658	441.586	MJBGIRGMZVHQCX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134554
s1c2CCCCCCc2cc1C(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)C	PC-id_55328408	441.586	XDFAXLNMPMPOCD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134555
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccccc1)C(=O)OC	PC-id_22198357	441.586	UGDLDPHGERBCPA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134556
s1c2c(c(C(=O)CCCN3CCN(CC3)c3c(OC)cccc3)c1C)C(=O)NCCC2	PC-id_21471881	441.586	JOVFHRDYZIXGHH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134557
S(=O)(=O)(c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCN(C)C)C(=O)Nc2cc1)C	PC-id_85115963	441.586	RUJHHDINHHKYDP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-134558
Cc1c(c2ccccc2[nH]1)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1ccccc1	PC-id_137051338	441.588	AGCGJGPYMPNQRF-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-134559
Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408970088	441.588	AGCGJGPYMPNQRF-OGLMXYFKSA-N	00000000100000110100000001100010000000000000000000000000	31-01-134560
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCN(C1)c1cccc(c1)F	PC-id_112080793	441.588	ULCLSZHMKDBRSY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134561
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)c1cccc(c1)F	PC-id_112078575	441.588	QDLBYICOEFGRQJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134562
CN=C(NC1CCCN(C1)c1ccc(cc1C)F)NCCCc1nnc2n1CCCCC2	PC-id_112080697	441.588	IWLNBOQMUOJHBD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134563
CN=C(NC1CCCN(C1)c1cc(C)ccc1F)NCCCc1nnc2n1CCCCC2	PC-id_112080859	441.588	JLKBTUJOAIZARG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134564
CN=C(NC1CCN(CC1)Cc1ccc(cc1)F)NCCCc1nnc2n1CCCCC2	PC-id_112076634	441.588	JIABBPQCXAKWAN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134565
O=C(c1ccc(s1)CCNS(=O)(=O)C)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_4348115,MCULE-8071239192,PC-id_24532124,EMOLS-id_19776698	441.588	NLCKIJBLUYRSCK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-134566
s1c2CCCCCCc2cc1C(=O)NNC(=O)CN(S(=O)(=O)c1sccc1)C	PC-id_24658047	441.588	JWOKYUGYSIKWHF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-134567
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1)c1sc(=O)[nH]c1C	PC-id_16615990	441.588	DCSAOXZDZXCZNO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-134568
S(=O)(=O)(N1CCOCC1)c1c(scc1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56021470	441.588	KGHMKIFYYWIDSY-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-134569
c1(cc2c(CCCCC2)s1)C(=O)N1CCCC1c1nc(CN(C)C(=O)C)cc(NC)n1	MCULE-7425781515,EMOLS-id_181647,PC-id_110092319,BDE-23422500	441.59	UYHVXHHWDMTEHL-UHFFFAOYSA-N	00000010100000100101100000000010000000000000000000000000	31-01-134570
c1(NC(=O)CCC(=O)Nc2ccc(cc2)N2CCN(C)CC2)sc2c(CCCCC2)n1	MCULE-7494224187,EMOLS-id_335106306	441.59	IVVWWNMLXBCRAP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134571
CC(=C)[C@@H]1CCC(=CC1)CN1CCc2n(CC1)c(nn2)CNS(=O)(=O)c1ccccc1	CoCoCo_1239530,CoCoCo_1239532	441.59	XCKGJIURPBQWCV-FQEVSTJZSA-N	00000000100011110101000000000010000000000000000000000000	31-01-134572
CC(=C)[C@H]1CCC(=CC1)CN1CCc2nnc(CNS(=O)(=O)c3ccccc3)n2CC1	EMOLS-id_25996567,MCULE-8031982562,ZINC22_11870134,CoCoCo_1239529,CoCoCo_1239531,PC-id_42237345	441.59	XCKGJIURPBQWCV-HXUWFJFHSA-N	00000000100011110101000000000010000000000000000000000000	31-01-134573
CCC(=O)c1sc2c(c1)C(=O)N(CCC2)CCCCN1CCN(CC1)c1ncccn1	SCHEMBL9039114,PC-id_19881096	441.59	PMEHIQLUSPQSKC-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-134574
CCN1CCN(CC1)c1ccc(cc1N)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_143029600	441.59	LUTRFUXABNTVFW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134575
CNc1cc(CN(C)C(=O)C)nc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCCCC3)n1	ZINC22_19759468	441.59	UYHVXHHWDMTEHL-SFHVURJKSA-N	00000010100000100101100000000010000000000000000000000000	31-01-134576
CNc1cc(CN(C)C(=O)C)nc([C@H]2CCCN2C(=O)c2cc3c(s2)CCCCC3)n1	ZINC22_19759470	441.59	UYHVXHHWDMTEHL-GOSISDBHSA-N	00000010100000100101100000000010000000000000000000000000	31-01-134577
COCC(=O)NC(c1nnc2n1CCN(CC2)Cc1cc2c(s1)cccc2)CC(C)C	ChEMBL-DNDi_CHEMBL22318653,PC-id_45186711	441.59	FZRQALSPJZOYPD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134578
COCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1cc2c(s1)cccc2)CC(C)C	CoCoCo_1228809,CoCoCo_1228810	441.59	FZRQALSPJZOYPD-LJQANCHMSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134579
COCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1cc2c(s1)cccc2)CC(C)C	CoCoCo_1228811,CoCoCo_1228812	441.59	FZRQALSPJZOYPD-IBGZPJMESA-N	00000000100000100101000001000010000000000000000000000000	31-01-134580
CSc1ccc(cc1)C(=O)N1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1	PC-id_28097441,ChEMBL-DNDi_CHEMBL46403223,ZINC22_19219742,MCULE-8269041706,EMOLS-id_232747058	441.59	JJJLLNNDHGGEGQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134581
O1C(CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1	PC-id_74780363	441.59	TXGFTGVWOUKYKZ-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-134582
O1[C@@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1	PC-id_42166361	441.59	TXGFTGVWOUKYKZ-NRFANRHFSA-O	00000010100000110101000000000010000000000000000000000000	31-01-134583
O1[C@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1	PC-id_42166362	441.59	TXGFTGVWOUKYKZ-OAQYLSRUSA-O	00000010100000110101000000000010000000000000000000000000	31-01-134584
O=C1N(CCCCN2CCN(CC2)c2ncccn2)CCCc2c1c(C(=O)C)c(s2)C	PC-id_19881104,SCHEMBL9038886	441.59	RZKDOLQPVZWWQK-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-134585
O=C(NC(c1n2CCN(CCc2nn1)Cc1cc(c(OC)cc1)C)C)C1CC[NH+](CC1)C	PC-id_74583645	441.59	GVNMZJNUOYSVHD-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134586
O=C(NCCOc1cc(ccc1)C)[C@H]([NH+]1CCN(CC1)Cc1n2CCCCCc2nn1)C	PC-id_52284942	441.59	FKVIXUPPGXJCSE-HXUWFJFHSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134587
O=C(NCCOc1cc(ccc1)C)[C@@H]([NH+]1CCN(CC1)Cc1n2CCCCCc2nn1)C	PC-id_52284944	441.59	FKVIXUPPGXJCSE-FQEVSTJZSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134588
O=C(NCCOc1cc(ccc1)C)C([NH+]1CCN(CC1)Cc1n2CCCCCc2nn1)C	PC-id_75820107	441.59	FKVIXUPPGXJCSE-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134589
O=C(N[C@@H](c1n2CCN(CCc2nn1)Cc1cc(c(OC)cc1)C)C)C1CC[NH+](CC1)C	PC-id_29087457	441.59	GVNMZJNUOYSVHD-GOSISDBHSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134590
O=C(N[C@H](c1n2CCN(CCc2nn1)Cc1cc(c(OC)cc1)C)C)C1CC[NH+](CC1)C	PC-id_29087459	441.59	GVNMZJNUOYSVHD-SFHVURJKSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134591
S(=O)(=O)(NCc1n2CCN(CC3=CCC(CC3)C(=C)C)CCc2nn1)c1ccccc1	PC-id_74784651	441.59	XCKGJIURPBQWCV-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-134592
CN=C(N1CCN(CC1)S(=O)(=O)CCOC(C)C)NCc1nnc2n1CCCCC2	PC-id_109566795	441.591	MMWNWNBGQGYMAJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-134593
Cc1sc2nc(CN3CCOCC3)nc(N(C)Cc3nnc4n3CCCCC4)c2c1C	PC-id_47016575,ZINC22_48275426,EMOLS-id_30672596,MCULE-9649770552	441.593	WDWWPIJQHGYTHI-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-134594
s1c2CCCCCc2c(c1NC(=O)CSc1sc(Nc2ccccc2)nn1)C#N	PC-id_3367130	441.593	ZBNYPKRWTHYWEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134595
Cc1ccc(cc1)Cn1nc(c2c1C(CCCC2)Cc1cccc(c1)C)C(=O)NC1CCC1	PC-id_143431300	441.608	NZXJZTOHUPWSLR-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-134596
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)CCCC	PC-id_52640616	441.608	MAHFTUPWKZWOKG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-134597
S(=O)(=O)(N1CC(CCC1)C(=O)NNC(=O)c1sc2CCCCCCc2c1)CCC	PC-id_55683543	441.608	GRNRKWSQBYLYCY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-134598
S(=O)(=O)(N1CC(OC(C1)C)C)N1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1	PC-id_55601368	441.608	JZZZCKKOSDNWQQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-134599
CCNC(=NCC(c1ccco1)N1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111304179	441.613	AZLYGEYENSSKRB-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-134600
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CCc1c(n(nc1C)CC(C)C)C	PC-id_46449496	441.613	NOEREDOOMYCKRU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-134601
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC=C)C#N	PC-id_17303248	441.613	QYQHNDOCSIXTJH-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-134602
c1(NC(=O)CCCc2ccccc2)sc2c(CCCCCCCCCC2)c1C(=O)OC	MCULE-8439750757,ZINC22_2759605,EMOLS-id_4128448,PC-id_4614207,CoCoCo_5827582,TIMTEC244003	441.626	JOAQVTWZCIBBJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134603
COc1nc(C)cc(c1CN1CCCc2c(C1=O)c(C)c(s2)CC1CCN(CC1)C)C	SCHEMBL19564528	441.629	CIRQMDVJGJXQIU-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-134604
COc1nc(C)cc(c1CN1CCCc2c(C1=O)c(C)c(s2)C(C1CCNCC1)C)C	SCHEMBL20837812,PC-id_138489581	441.629	UCWNNLCZTPNWDM-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-134605
COc1nc(C)cc(c1CN1CCCc2c(C1=O)c(C)c(s2)[C@@H](C1CCNCC1)C)C	SCHEMBL20837811,PC-id_138489580	441.629	UCWNNLCZTPNWDM-QGZVFWFLSA-N	00000000100010101100000000000010000000000000000000000000	31-01-134606
[S+]1=CC=CC1=C(c1c2-c(c(SC)c1)ccccc2)c1c2-c(c(SC)c1)ccccc2	PC-id_53343903	441.651	AFVCUUKELGTCAD-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-134607
CCc1sc2c(c1)C(=N)N(CCS2)C(=N)CCN1CCN(CC1)c1ccc(cc1)C	PC-id_141859763	441.656	HRMXTMMJLRYYCG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134608
Brc1c(Cl)c(OC2CCN(Cc3oc(cc23)C)C(=O)CN(C)C)ccc1	PC-id_68409956,SCHEMBL2841335	441.747	NCCBGOXGQUECED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134609
Brc1c(OC(C(=O)NCCc2n3CCCCCc3nn2)C)ccc(Cl)c1	PC-id_55548045	441.75	XHZCFVQYDQYLNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134610
Clc1cc(NC(=O)c2ccc(F)cc2)c(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24676689	441.886	NSVRLPQQTCITAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134611
COc1c(cc(cc1)CN1CCc2c(CC1)oc(n2)C(=O)Nc1ccc(cc1)Cl)OC	PC-id_134808964	441.907	CISOAEDXYKXMLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134612
COc1ccc(NC(=O)CC2CCc3nn(Cc4cccnc4)c(=O)n3CC2)cc1Cl	EMOLS-id_207877200,MCULE-1306176107	441.911	IWWLWLVTVGOLPR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-134613
O=C(Cc1ccc(cc1)F)NCCc1nnc2n1CCN(CC2)Cc1ccc(cc1)Cl	ChEMBL-DNDi_CHEMBL15782262	441.929	AQNWYQLXDGLTOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134614
Clc1c2c([nH]c1C(=O)OC(C(=O)Nc1sc3CCCCCc3c1C#N)C)cccc2	PC-id_55704012	441.93	OZTNXPVLFCHYMF-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-134615
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)c2cccc(Cl)c2)c1	EMOLS-id_313790525,ZINC22_2055785503	441.931	MIRUFSSXXGELDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134616
CC(C)S(=O)(=O)NCc1nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	CoCoCo_1140618,PC-id_30868183,ZINC22_23144568,EMOLS-id_24851627,CoCoCo_1140617,MCULE-1238709521	441.932	RPNKATFYDHICOZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-134617
Clc1ccc(S(=O)(=O)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_41151469	441.949	ICOZRNOKBJPDGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134618
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc(S(=O)(=O)C)cc1	PC-id_55697891	441.949	UPVXKVCDEJYQGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134619
COC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)C)c2)sc2c1CCCCC2	MCULE-9985775176,EMOLS-id_48773149,ZINC22_58908269,PC-id_52598439	441.949	AHBAVKIKRFVNGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134620
Clc1n2C(C(C)(C)C)CCN(Cc2c(n1)C(=O)NC(C(C)(C)C)C(=O)NC)C(=O)O	SCHEMBL1175504,PC-id_66932228	441.952	XALJUTIADVQEFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134621
Clc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)NC(C(C)(C)C)C(=O)NC	SCHEMBL3686815,PC-id_68744278	441.952	XLRVSHKBVIGPAX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134622
Clc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	SCHEMBL3686817,PC-id_57635568	441.952	XLRVSHKBVIGPAX-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134623
CS(=O)(=O)CCC(=O)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1	ZINC22_2055785539,EMOLS-id_313791804	441.952	ZBGQTQIOIWXNHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134624
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3)Cl)CCn12	MCULE-1586371504,PC-id_45210337,EMOLS-id_20573447	441.954	OIZGZMLFUMZUPX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134625
c1(C(C)NC(=O)C(C)C)nnc2CCN(Cc3ccc(c4ccccc4Cl)o3)CCn12	EMOLS-id_20407202,PC-id_45172059,MCULE-8774956633	441.954	LFQUPXCXQWLTSP-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-134626
CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2	CoCoCo_1378580,PC-id_26345449,ZINC22_14990681,CoCoCo_1378579	441.954	OIZGZMLFUMZUPX-LJQANCHMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134627
CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2	CoCoCo_1378581,ZINC22_14990683,PC-id_26345453,CoCoCo_1378582	441.954	OIZGZMLFUMZUPX-IBGZPJMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-134628
CC(C)C(=O)NCCc1nnc2CCN(Cc3ccc(o3)c3ccc(Cl)cc3)CCn12	PC-id_29088492,ChEMBL-DNDi_CHEMBL28393729,CoCoCo_1275464,ZINC22_20601224,CoCoCo_1275463,EMOLS-id_232726889,MCULE-3645492790	441.954	GYZMKASIXVTVOW-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-134629
CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(c3ccccc3Cl)o1)CC2	CoCoCo_1141361,CoCoCo_1141362,ZINC22_23144780,PC-id_30868416	441.954	LFQUPXCXQWLTSP-MRXNPFEDSA-N	00000000101000110101100000000010000000000000000000000000	31-01-134630
CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(c3ccccc3Cl)o1)CC2	CoCoCo_1141363,PC-id_30868411,CoCoCo_1141364,ZINC22_23144775	441.954	LFQUPXCXQWLTSP-INIZCTEOSA-N	00000000101000110101100000000010000000000000000000000000	31-01-134631
CN(C)CC(=O)Nc1c(c(cc(c1)N)CCC1=CCn2ccnc2C(=NC2CC2)N1)Cl	PC-id_137143378	441.957	GMUQPHJSEYEVQS-UHFFFAOYSA-N	00100000100000110111000000000010000000000000000000000000	31-01-134632
c1(c2CCCCCc2sc1NCc1ccccn1)C(=O)Nc1c(OC)ccc(Cl)c1	ZINC22_1146700,ChEMBL-DNDi_CHEMBLK801-0704,EMOLS-id_2220688,MCULE-2336929525,CoCoCo_948103,PC-id_1318144	441.974	LYIIHKHLJLFLLZ-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-134633
c1(c2CCCCCc2sc1NCc1cccnc1)C(=O)Nc1c(OC)ccc(Cl)c1	EMOLS-id_2177028,CoCoCo_842902,MCULE-2362693879,ZINC22_6406383,PC-id_2254647	441.974	OUUBJCRSRJFGOH-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-134634
Clc1ccc(c2oc(nn2)CN(C2CC2)C(=O)c2sc3c(CCCCCC3)c2)cc1	PC-id_60383986	441.974	OSUAFEVBDFSREB-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-134635
CCSC(=N)N(C(=C)c1ccc(cc1)C(=O)NCc1nc2c([nH]1)C=C(CC=C2)Cl)C	PC-id_142911584	441.977	OOPBVKHZLURABR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-134636
CC([C@H]1CCc2c(n(cc2S(=O)(=O)N1)C)C(=O)Nc1cc(ncc1)Br)O	PC-id_163953560	442.031	SBKMEKIBDOSRJY-FFFFSGIJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-134637
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2=O)CC#CC4COC4	PC-id_154682250	442.111	GYSOFNKDKXAIAT-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-134638
CCC1=C(C2=NNC(=C2C(CN1C(=O)C3=CC(=C(C=C3)F)F)(C)C)C(F)(F)F)C(=O)N	PC-id_164175512	442.143	ZZDXAGCRGIICKA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-134639
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)ON=N2)NC(=O)OCC3=CC=CC=C3	PC-id_161934769	442.185	YJSKOJBUSAHUPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134640
CC(C)C(C(=O)CC1CCC2=C(CNC(=O)C1=O)N=NO2)NC(=O)OCC3=CC=CC=C3	PC-id_147050307	442.185	BBEBWJPSOTVCST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134641
CC(C)C(C(=O)CC1CCC2=C(CNC(=O)C1=O)ON=N2)NC(=O)OCC3=CC=CC=C3	PC-id_149525771	442.185	ZLQFGVURFILBGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134642
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3=CC=CC(=C3)C(=O)N	PC-id_149195921	442.222	XDTBRAMUAIUQLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134643
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3=CC=C(C=C3)C(=O)N	PC-id_155171355	442.222	XYEQOSBKYHEOSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134644
CC(C)(C)OC(=O)CCC1CCCCC2=C([C@H](CC1)N[S@](=O)C(C)(C)C)N=CS2	PC-id_155180016	442.232	BHBBPOPADVQSBT-PCWQHQTQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134645
CC(C)(C)OC(=O)CCC1CCCCC2=C([C@H](CC1)N[S@](=O)C(C)(C)C)SC=N2	PC-id_155179841	442.232	GAALJQSKWQGEHO-GAHCGFJRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134646
Brc1cc(Oc2ncccc2C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_60451335	442.309	CSWLHTIIVUMNQM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-134647
O=C(NCc1nnc2n1CCCCC2)c1cccnc1Oc1ccc(Br)cc1	EMOLS-id_44529648,PC-id_60445230,MCULE-5228563237,ZINC22_71898626	442.309	WUSZKOWRQVQTQI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-134648
Brc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCC(=O)NC)/C(=O)Nc2cc1	PC-id_60113776,SCHEMBL6696887	442.349	IKNCCANZZITBQZ-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-134649
Brc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)NC)C(=O)Nc2cc1	PC-id_72651859	442.349	IKNCCANZZITBQZ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-134650
CC1=c2c(=C(C=CCC1)F)c(cn2CCCCI)C(C)NC1CC1	SCHEMBL15599882,PC-id_90065256	442.353	LEDQMGICJJTMBI-UHFFFAOYSA-N	00100000100000000110000000000010000000000000000000000000	31-01-134651
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)OC	TIMTEC315010,EMOLS-id_4128910,PC-id_3620009,SPECS-id_AK-968/12117413,MCULE-4418346338	442.356	MPAPOQFDHBUXDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134652
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_5357284,CoCoCo_1713292,TIMTEC213032,ZINC22_8430233,SPECS-id_AK-968/12102554,CHEMBL1874872,MCULE-9217518041,PC-id_4461822	442.356	IFPJMIGSQJXUQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134653
C1C(NC(=O)c2nn(cc2N1C(=O)C(F)(F)F)CCc1ccccc1)Cc1ccccc1	PC-id_87531451	442.434	WAQFXMUOEWJLDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134673
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)OC	TIMTEC360834,MCULE-6635008524,ZINC22_2085761,PC-id_1744118,SPECS-id_AK-968/12862135,EMOLS-id_4128908,CoCoCo_5820528	442.356	OOERUCUMUURVIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134654
c1(NC(=O)COc2c(Cl)ccc(Cl)c2)sc2c(CCCCCC2)c1C(=O)OC	PC-id_5085729,GD-id_ZINC02773397,TIMTEC188037,EMOLS-id_4128918,ZINC22_2773397,CoCoCo_5836760,MCULE-9545678466	442.356	HDSVZDUJLIRSPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134655
COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCCC2	CoCoCo_5817363,GD-id_ZINC08430676,ZINC22_8430676,PC-id_9536858	442.356	MPAPOQFDHBUXDQ-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134656
COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCCC2	ZINC22_8430674,CoCoCo_5817364,PC-id_9536857	442.356	MPAPOQFDHBUXDQ-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-134657
Ic1cc(c2-c1ccccc2)C#Cc1ccc(cc1)SC(C)(C)C	2240900_OpenMolecule,CT-id_2240900,PC-id_139087508	442.356	LIAXIXXXMRPGFG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134658
Brc1ccc(C2=CS/C(=C(/c3n4CCCCCc4nn3)C#N)/N2CC)cc1	CoCoCo_3732308,PC-id_2317625	442.375	MDPIMJVFHBMRKF-CAPFRKAQSA-N	00000011100000110101100000000010000000000000000000000000	31-01-134659
Brc1ccc(C2=CS/C(=C(c3n4CCCCCc4nn3)/C#N)/N2CC)cc1	PC-id_2317624,CoCoCo_3732307	442.375	MDPIMJVFHBMRKF-SILNSSARSA-N	00000011100000110101100000000010000000000000000000000000	31-01-134660
Brc1ccc(C2=CSC(=C(c3n4CCCCCc4nn3)C#N)N2CC)cc1	PC-id_3923098,MCULE-4209031802	442.375	MDPIMJVFHBMRKF-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-134661
[B]C(=CC1Cc2nc(cs2)C(CC(CC(=O)OC(CC(=CC=CC(=O)O1)C)C)N)C)C	PC-id_88969726	442.379	IARPNJFLRMYMEM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-134662
NC(=O)c1c(NC(=S)NC(=O)c2cccc(Cl)c2Cl)sc2c1CCCCC2	PC-id_20166150,ZINC22_32125192	442.382	GDFFCZNQGYCHTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134663
NC(=O)c1c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCCC2	ZINC22_32125066,PC-id_20166151	442.382	TWIPFABFWXTLDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134664
NC(=O)c1c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2	ZINC22_32125360,PC-id_20166152	442.382	OZKDEDHZPZWPLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134665
NC(=O)c1c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCC2	ZINC22_32125326,PC-id_20166153	442.382	WRYRBBODNAVXGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134666
Brc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCN(C)C)C(=O)Nc2cc1	PC-id_72651804	442.392	LMNDVNNLRCHDHQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-134667
Brc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCCN(C)C)/C(=O)Nc2cc1	SCHEMBL6696642,PC-id_60113711	442.392	LMNDVNNLRCHDHQ-RGEXLXHISA-N	00000010100000100100000000001010000000000000000000000000	31-01-134668
CC1(Cn2cc(nc2OCCN1CC(=O)NNc1ccc(cc1)C(F)(F)F)[N+](=O)[O-])C	SCHEMBL14965638,PC-id_89580064	442.392	MLOSWFPWEAWHQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134669
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(cc([N+](=O)[O-])cc1)C(F)(F)F	PC-id_30684023	442.409	ITBABOOPBYNHRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134670
C1CCCCCC(CCCCC1)Cn1c2c(CCCCC2)c(n1)I	PC-id_89681958,SCHEMBL15099981	442.42	UAAYMYPMSGCGDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134671
N#CC(=c1ccc(=C(c2c(=O)oc3-c2ccccc3)c2c(=O)oc3-c2ccccc3)cc1)C#N	PC-id_102378806	442.422	AWULUWFJMXYKOK-UHFFFAOYSA-N	00000010100000100110000000000010000000000000000000000000	31-01-134672
Fc1c(C2OC(C(O)C(O)C2O)CO)cc(Cc2c(c3-c(c2)ccccc3)C(=O)O)cc1	PC-id_72423657	442.434	ZLEHZNULKNOCPX-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-134674
Fc1c([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc(Cc2c(c3-c(c2)ccccc3)C(=O)O)cc1	SCHEMBL14590118,PC-id_58786171	442.434	ZLEHZNULKNOCPX-IFPLKCGESA-N	00000010100010110110100000000010000000000000000000000000	31-01-134675
O=C1N[C@H](Cc2ccccc2)CN(c2c1nn(c2)CCc1ccccc1)C(=O)C(F)(F)F	SCHEMBL3467537	442.434	WAQFXMUOEWJLDE-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134676
FC(F)(F)c1cccc(c1)N1CCN(CC1)S(=O)(=O)c1cc2C(=O)NCCCn2c1	PC-id_53182764,EMOLS-id_33086168,MCULE-3734768526	442.455	JRFXLROMWZCXLR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134677
Fc1ccc(CNC(=O)C2CCc3nn(CCOc4ccccc4)c(=O)n3CC2)c(F)c1	MCULE-3950874410,EMOLS-id_207876635	442.458	TYDQDSXEZTVVSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134678
FC(F)Oc1c(Cc2ccccc2)cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_36403171	442.458	OHSMEMBYGGTBNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134679
O=C(NC(C(=O)NC1Cc2cnc(o2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110290,PC-id_138731130	442.465	IFGAINNFRYCHNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134680
O=C(NC(C(=O)NC1Cc2cnoc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109203,PC-id_138730052	442.465	SWYNRMWZQDMNQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134681
O=C(NC(C(=O)NC1Cc2coc(n2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21111065,PC-id_138731836	442.465	CLUMKXLBFLJLHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134682
O=C(NC(C(=O)NC1Cc2ncc(o2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109855,PC-id_138730698	442.465	LAEYBHKHATXHHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134683
O=C(NC(C(=O)NC1Cc2ncoc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109820,PC-id_138730665	442.465	HPRGIRVPJRJCGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134684
O=C(NC(C(=O)NC1Cc2ocnc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730660,SCHEMBL21109815	442.465	ROCNSEZSMUDKBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134685
O=C(NC(C(=O)NC1Cc2oncc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109474,PC-id_138730320	442.465	GPRDHHCJXWXBJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134686
O=C(NC(C(=O)NC1CCc2ncoc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730499,SCHEMBL21109654	442.465	SXOKHPUBPDFPMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134687
O=C(NC(C(=O)NC1CCc2ocnc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731007,SCHEMBL21110165	442.465	BXMUBPLVDGXNTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134688
O=C(NC(C(=O)NC1Cc2cnn(n2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730425,SCHEMBL21109580	442.468	PPNCRFDGSSDUDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134689
O=C(NC(C(=O)NC1Cc2cnnn2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109420,PC-id_138730267	442.468	FRBBPWVLYHZZHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134690
O=C(NC(C(=O)NC1Cc2ncnn2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730300,SCHEMBL21109454	442.468	SCBYEXZHKVEDOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134691
O=C(NC(C(=O)NC1Cc2ncn(n2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109515,PC-id_138730361	442.468	MCMQYMMVTSUUCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134692
O=C(NC(C(=O)NC1Cc2nncn2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109106,PC-id_138729958	442.468	OTMKDRMQPLAOFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134693
O=C(NC(C(=O)NC1Cc2nnn(c2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731088,SCHEMBL21110246	442.468	INUYWSHJVHVYJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134694
O=C(NC(C(=O)NC1Cn2cnc(n2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109831,PC-id_138730674	442.468	FBUPFAFRMIQKNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134695
O=C(NC(C(=O)NC1Cn2ncc(n2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109640,PC-id_138730485	442.468	GULALKNCXFBEGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134696
O=C(NC(C(=O)NC1Cn2nnc(c2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731133,SCHEMBL21110293	442.468	SOCPDJAHTYKOEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134697
Fc1cc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)ccc1F	PC-id_42449393	442.482	JHMNHGHMPMHWOA-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134698
Fc1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)ccc1F	PC-id_42168679	442.482	WMHPQSNKHSKAFM-MRXNPFEDSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134699
Fc1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)ccc1F	PC-id_42168681	442.482	WMHPQSNKHSKAFM-INIZCTEOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134700
Fc1cc(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)ccc1F	PC-id_74780674	442.482	WMHPQSNKHSKAFM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134701
Fc1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)ccc(F)c1	PC-id_42344614	442.482	RWLQRZBQDNQHAC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134702
Fc1c(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2c(OCC)cccc2)c(F)ccc1	PC-id_42213518	442.482	DWNKCASWLOZHEP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134703
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3CNC(=O)Cc3cc(F)ccc3)CC2)cc1	PC-id_42369701	442.482	ULKOYDQFCOCKFA-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134704
Cc1c(cc(cc1)NC(=O)Nc1cc(c(cc1)C)F)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478256	442.485	OTPUHQCUJFHIMS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134705
CC(C)(C)OC(=O)N1CCCc2sc(cc2C1)C(=O)ON1C(=O)c2ccccc2C1=O	MCULE-2633576706,EMOLS-id_316745105	442.485	PHKNTTFTMQIIFM-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-134706
O=C(Nc1ccc(c(c1)F)C)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076567	442.485	OTPUHQCUJFHIMS-OGLMXYFKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134707
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1)cccc2OC)C(=O)NC(=O)OC	PC-id_40946463	442.485	TZEFEVPWQBJMEX-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-134708
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1c2ncoc2ccc1)C)C(=O)OC	PC-id_24027655	442.485	AXEOMJCKCXLKLW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134709
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1c2ncoc2ccc1)C(=O)OCC	PC-id_24054889	442.485	GICQUKSTUYLQBQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134710
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ncoc2cc1)C)C(=O)OC	PC-id_23916138	442.485	NRJXKODVBJYESL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134711
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc2ncoc2cc1)C(=O)OCC	PC-id_23887739	442.485	RLPAOJXFFLHBEE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134712
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ocnc2cc1)C)C(=O)OC	PC-id_24082888	442.485	KJUXOKZNBAPABO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134713
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc2ocnc2cc1)C(=O)OCC	PC-id_24082493	442.485	CLIXYRLYMFYLMC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134714
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1c2ncoc2ccc1)C(=O)OC	PC-id_23971691	442.485	SATAGLWYDCVADC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134715
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1cc2ncoc2cc1)C(=O)OC	PC-id_24082495	442.485	XSDKPRDDEWZWEB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134716
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1cc2ocnc2cc1)C(=O)OC	PC-id_23802772	442.485	YWFGUHVJMPNINQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134717
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)N2CCN(CC2)C)cc1	PC-id_46049534	442.487	URSSDDHRMUDRCP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134718
CC(=O)NNC(=O)c1c(NC(=O)C=Cc2cccc(c2)[N+](=O)[O-])sc2c1CCCCC2	PC-id_92046526	442.488	GAZLKDVGCXGAIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134719
CC(=O)NNC(=O)c1c(NC(=O)C=Cc2ccc(cc2)[N+](=O)[O-])sc2c1CCCCC2	PC-id_92046528	442.488	JJKRNEZXPPJQSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134720
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(N(C)C)ccc([N+](=O)[O-])c1)C#N	PC-id_45666016	442.488	OVDSBIUUACLDDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134721
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(NC)ccc([N+](=O)[O-])c1)C)C#N	PC-id_55421677	442.488	HQQPDVSLRDTSJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134722
S(C(CC)C)c1cc(c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C(F)(F)F	PC-id_56262072	442.498	DPBVSXKRYFARDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134723
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1	PC-id_24553547	442.5	LCBXVPRINSRMCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134724
CCc1cc(c2-c1c(OC)cccc2)S(=O)(=O)NCCc1ccc(cc1)OCC(=O)[O-]	GD-id_ZINC13826257	442.505	KJGDTIUIPAKSCA-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-134725
c12C(=O)N(CCCn1nc(C(=O)NCCSCc1ccco1)c2)Cc1ccc(cc1)F	PC-id_50797929,MCULE-5413703419,EMOLS-id_32846250	442.506	RBJVJYBNXQNRCV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134726
c1(NC(=O)c2ccn(COc3ccccc3F)n2)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_4129199,ZINC22_2798384,MCULE-8760420525,PC-id_4862927,CoCoCo_6586713	442.506	ZJQAHAKRMWBCRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134727
O(C(=O)c1c(N)c(Cc2c3-c(c(c2N)C(=O)OCC)ccccc3)c2-c1ccccc2)CC	PC-id_11282171	442.506	GAEJWLFBHDMJFN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-134728
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCc1onc(n1)c1ccc(F)cc1	PC-id_40394293	442.506	CYAYJCQOXCPCCX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134729
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1onc(n1)c1ccc(F)cc1	PC-id_46656640	442.506	LLTWMJHYVSVSAM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134730
s1c(CCC(=O)N2CCn3c(nnc3CNC(=O)c3cc(F)ccc3)CC2)c(nc1)C	PC-id_42451337	442.51	SMKOMGYONFHFLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134731
s1cc(nc1NC(=O)c1c(F)cccc1)CC(=O)NCCc1n2CCCCCc2nn1	PC-id_55719453	442.51	WLNQIPMMUCPDOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134732
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(CCn12)C(=O)c1cccnc1OC	ChEMBL-DNDi_CHEMBL82074611,MCULE-5650176011,PC-id_45241236,EMOLS-id_32424682	442.511	FIODKAYXKYATGW-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-134733
CN(C(=O)C1CCn2c(CC1)nn(c2=O)Cc1c(C)noc1C)CCc1c(C)noc1C	EMOLS-id_207876803,MCULE-7115342855	442.511	VIRYIOAOJUHWNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134734
COc1ccc(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)c(OC)c1C	MCULE-3508500023,EMOLS-id_20702077,PC-id_45241066	442.511	ZXIUKQLVBJULIN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134735
COc1ccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)c(OC)c1C	CoCoCo_1573338,CoCoCo_1573339,ZINC22_14986609	442.511	ZXIUKQLVBJULIN-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134736
COc1ccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)c(OC)c1C	ZINC22_14986610,CoCoCo_1573341,CoCoCo_1573340	442.511	ZXIUKQLVBJULIN-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134737
COc1ncccc1C(=O)N1CCc2nnc([C@@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	CoCoCo_1574405,ZINC22_14986816	442.511	FIODKAYXKYATGW-YJBOKZPZSA-N	00000010100000101101000000000010000000000000000000000000	31-01-134738
COc1ncccc1C(=O)N1CCc2nnc([C@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	CoCoCo_1574407,ZINC22_14986815	442.511	FIODKAYXKYATGW-CRAIPNDOSA-N	00000010100000101101000000000010000000000000000000000000	31-01-134739
COc1ncccc1C(=O)N1CCc2nnc([C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	ZINC22_14986814,CoCoCo_1574408	442.511	FIODKAYXKYATGW-QAPCUYQASA-N	00000010100000101101000000000010000000000000000000000000	31-01-134740
COc1ncccc1C(=O)N1CCc2nnc([C@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	ZINC22_14986817,CoCoCo_1574406	442.511	FIODKAYXKYATGW-MAUKXSAKSA-N	00000010100000101101000000000010000000000000000000000000	31-01-134741
O1CCN(CC1)c1ccc(NC(=O)CN(C(=O)Cn2nc3n(CCCCC3)c2=O)C)cc1	PC-id_55570242	442.511	KTGNHPNUXBGHFS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134742
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(C(=O)N2CCN(CC2)C)ccc1OC	PC-id_56148348	442.511	FQJOQHULSFLZBH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134743
O=C(N1CCCN(CC1)c1ncc(cc1)C(=O)OCC)Cn1nc2n(CCCCC2)c1=O	PC-id_56315756	442.511	VPNZGNZTJNKHID-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-134744
n12CCN(CCc1nnc2CCNC(=O)c1cccnc1)Cc1ccccc1c1ccco1	EMOLS-id_20685811,PC-id_28811576,MCULE-5800642266,CoCoCo_1548637,CoCoCo_1548638,ZINC22_20272426	442.513	BFSLRHFEAZJZPK-UHFFFAOYSA-N	00000000101000111101100000000010000000000000000000000000	31-01-134745
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(F)(F)F)C(=O)OCC	PC-id_20166290	442.518	XBBDFLBZQKPHQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134746
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cccc1)C(F)(F)F)C(=O)OCC	PC-id_20412023	442.518	NKTOHKWLFYIDGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134747
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(F)(F)F)C(=O)OCC	PC-id_20412059	442.518	MPSASHHWIBTVGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134748
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(F)(F)F)C(=O)OC	PC-id_20166283	442.518	BBYNIJNYDWUTIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134749
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cccc1)C(F)(F)F)C(=O)OC	PC-id_20412016	442.518	XBROSSUIZLKOAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134750
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_20412052	442.518	VLFSREHZWKWEKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134751
S=c1n(C[NH+]2CCN(CC2)Cc2ccc(cc2)OC(F)(F)F)nc2n1CCCCC2	GD-id_ZINC26687730,PC-id_33969293	442.521	UURPGJGGHOSDKC-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134752
Fc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	GD-id_ZINC13826316	442.523	NMFOFAKOZUXHEU-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-134753
O=C(c1c(F)cccc1F)NCc1nnc2n1CC[N@@H+](CC2)CC1=CC[C@H]2C[C@@H]1C2(C)C	GD-id_ZINC12079597	442.525	NHMPLVPRUFCALO-IRXDYDNUSA-O	00001000100011110101001000000010000000000000000000000000	31-01-134754
CN1CCC(=NO)c2c(C1=O)n(cc2)CCCCN1CCC(CC1)Oc1ccc(cc1)F	SCHEMBL9040093,PC-id_88403849	442.526	ZTJVVTVOOMWVAI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134755
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCCCC2)c1C(=O)NCc1ccco1	EMOLS-id_4129283,PC-id_17379570,MCULE-6958082220,TIMTEC460426	442.528	SVIOLVAZNDIQBZ-UHFFFAOYSA-N	00000000101011000100000000000010000000000000000000000000	31-01-134756
c1(NC(=O)c2ccc(Cc3c(C)noc3C)o2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-9002540586,ZINC22_13640966,PC-id_19590419,EMOLS-id_8866264,TIMTEC273548	442.528	KURLWCGYGJZOAV-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-134757
CCOc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OCC	ZINC22_3248301,EMOLS-id_3103737,CoCoCo_2958975,MCULE-4916038287,PC-id_2365484	442.528	NOMQLFNHDFPJLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134758
CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(=O)O)CCCCC3)/C(=O)N2	PC-id_60113777,SCHEMBL6700630	442.528	BWXVVPTXWQROKC-AQTBWJFISA-N	00000010100000100100000000001010000000000000000000000000	31-01-134759
COc1ccc(cc1)OCC(CN1CCC(=O)N(Cc2c1ccs2)Cc1ccco1)O	PC-id_134786354	442.528	BKLVQKRQFIXKQF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134760
O=C(NCc1ccco1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_6833889,ZINC22_19636198,PC-id_28249455	442.528	SVIOLVAZNDIQBZ-HOTGVXAUSA-N	00000000101011000100000000000010000000000000000000000000	31-01-134761
O=C(NCc1ccco1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	PC-id_28249452,CoCoCo_6833888,ZINC22_19636194	442.528	SVIOLVAZNDIQBZ-JKSUJKDBSA-N	00000000101011000100000000000010000000000000000000000000	31-01-134762
O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_28249461,CoCoCo_6833890,ZINC22_19636206	442.528	SVIOLVAZNDIQBZ-CVEARBPZSA-N	00000000101011000100000000000010000000000000000000000000	31-01-134763
O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_19636202,CoCoCo_6833887,PC-id_28249458	442.528	SVIOLVAZNDIQBZ-HZPDHXFCSA-N	00000000101011000100000000000010000000000000000000000000	31-01-134764
s1c2c(CCCCC2)c(c1NC(=O)c1cc(NC(=O)C2OCCC2)ccc1)C(=O)OC	PC-id_75878082	442.528	POKKXEWLSDITCA-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-134765
s1c2c(CCCCC2)c(c1NC(=O)c1cc(NC(=O)[C@H]2OCCC2)ccc1)C(=O)OC	PC-id_52598454	442.528	POKKXEWLSDITCA-KRWDZBQOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-134766
s1c2c(CCCCC2)c(c1NC(=O)c1cc(NC(=O)[C@@H]2OCCC2)ccc1)C(=O)OC	PC-id_52598455	442.528	POKKXEWLSDITCA-QGZVFWFLSA-N	00000010100000110100000000000010000000000000000000000000	31-01-134767
s1c2c(CCCCC2)c(c1NC(=O)C1ON=C(C1)c1ccc(OC)cc1)C(=O)OCC	PC-id_19491520	442.528	SBTFVLNBSUGEKY-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-134768
s1c2c(CCCCC2)c(c1NC(=O)C1ON=C(C1)c1c(OC)cccc1)C(=O)OCC	PC-id_19493724	442.528	JGGREFGMKZMYPF-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-134769
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)CCc1cc(O)c(OC)cc1)C)C#N	PC-id_52822536	442.528	LGSQAJQCCUXDIB-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134770
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)CCc1cc(O)c(OC)cc1)C)C#N	PC-id_52822537	442.528	LGSQAJQCCUXDIB-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134771
s1c2c(CCCCC2)c(c1NC(=O)COc1cc(NC(=O)C2CC2)ccc1)C(=O)OC	PC-id_52635540	442.528	DNERZUSWSDMKHT-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-134772
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(OC)c(OC(C)C)cc1)C#N	PC-id_16501131	442.528	BKGWDIXZUPZLMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134773
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCc1cc(O)c(OC)cc1)C)C#N	PC-id_75928380	442.528	LGSQAJQCCUXDIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134774
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCCOc1ccc(OC)cc1)C#N	PC-id_4040630	442.528	JXDQGBCEMGHRBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134775
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCOc1ccc(OCC)cc1)C#N	PC-id_16535250	442.528	STLXSDGIWSKTEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134776
S(=O)(=O)(c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)O)C(=O)Nc2cc1)CC	PC-id_72651860	442.528	BWXVVPTXWQROKC-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-134777
Cc1ccc2-c1cc(ccc2CCCOP(=O)(c1ccccc1)c1ccccc1)C(C)C	SCHEMBL10583044,PC-id_54256271	442.529	RAHJFILUUOHKPY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134778
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCN(CC1)CC)c2)Cc1cccc(F)c1	PC-id_53086362,EMOLS-id_32633022,MCULE-5935613113	442.53	NNABRKBCQXUJAR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134779
CCN1CCN(CC1)CCNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccc(cc1)F	EMOLS-id_32846238,MCULE-7082723042,PC-id_50797870	442.53	UPPIOGAFZCKYRH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134780
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCCN2CCN(CC2)C)cc1	PC-id_20964760	442.53	ACDPXCFZWHPRBZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134781
O=C(CN(C(=O)OC(C)(C)C)C)NC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C	PC-id_146160659,EMOLS-id_323941870	442.53	NWUXJFFTKPGIQK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-134782
s1c2CCCCCc2c(c1NC(=O)C(Sc1oc(nn1)c1ccc(F)cc1)C)C#N	PC-id_24561968	442.53	VTFOLBIUXYPULH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134783
c1(NC(=O)c2ccc(c(N(=O)=O)c2)N2CCCCC2)sc2c(CCCCC2)c1C(=O)N	PC-id_2963835,EMOLS-id_1573698,MCULE-4642938709,SPECS-id_AN-153/I242273,CoCoCo_518112,ZINC22_12860503	442.531	MRIVZCJUKQKELX-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-134784
CC([C@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc2c(c1)OCO2)NC(=O)[C@H]1COCC1)C	GD-id_ZINC14996784	442.531	PRZDBCQMKDBPSF-DYESRHJHSA-O	00000010100000100101000000001010000000000000000000000000	31-01-134785
COc1ccc(cc1)Cn1c2c(cn1)C(=O)CCCN2CCCN1CCSC(=O)C1=O	PC-id_89705502,SCHEMBL15130305	442.531	WBEBSTMCOPXCHW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134786
COc1ccc(cc1)Cn1c2c(cn1)C(=O)CCCN2C(=O)C(=O)CN1CCSCC1	PC-id_89705503,SCHEMBL15130308	442.531	MFFUCPBWBLOGBX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134787
O1CCC(CC1)C(=O)NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(=O)OC)C	PC-id_74802586	442.531	UXPZKQNFJVGRBL-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134788
O1CCC(CC1)C(=O)N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(=O)OC)C	PC-id_42429990	442.531	UXPZKQNFJVGRBL-MRXNPFEDSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134789
O1CCC(CC1)C(=O)N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(=O)OC)C	PC-id_42429991	442.531	UXPZKQNFJVGRBL-INIZCTEOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134790
O=C(NCCCc1nnc2n1CCCCC2)c1ccc(CS(=O)(=O)c2ccccc2)o1	ZINC22_72301232,EMOLS-id_42872135,PC-id_72147391,MCULE-8504066945	442.531	HAOYHWIKKUEVAW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-134791
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc(OCC(=O)N)c(OC)cc1)C)C#N	PC-id_55914987	442.531	LROPAEJHHGOMON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134792
s1c2c(CCCCC2)c(c1NC(=O)COc1nn(c2nc(cc(c12)C)C)C)C(=O)OC	PC-id_56446338	442.531	KLDKWWYWUXEIFC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-134793
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)C)cc(NC(=O)C)c1	PC-id_31717442	442.531	BOVMYYZEQQPZJY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134794
C[C@H](Sc1nnnn1c1cccc(F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41189069,ZINC22_9727992,CoCoCo_4183391	442.533	ARCAOGBRFXKOBP-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134795
C[C@@H](Sc1nnnn1c1cccc(F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41189070,CoCoCo_4183390,ZINC22_9727994	442.533	ARCAOGBRFXKOBP-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134796
N#Cc1c(NC(=O)CCSc2nnnn2c2cccc(F)c2)sc2c1CCCCC2	PC-id_17567062,MCULE-4638763615,EMOLS-id_13509526,CoCoCo_3955028,ZINC22_14184265	442.533	HJVVHTSUEIYFPH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134797
N#Cc1c(NC(=O)C(Sc2nnnn2c2cccc(c2)F)C)sc2c1CCCCC2	PC-id_16328747,MCULE-9194599200,EMOLS-id_11765079	442.533	ARCAOGBRFXKOBP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134798
o1c(c2cc(C[NH+]3CCn4c(nnc4CNC(=O)Cc4ccccc4)CC3)ccc2)ccc1	PC-id_42500423	442.533	CVNOGGHATRDTOU-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-134799
o1c(c2c(C[NH+]3CCn4c(nnc4CNC(=O)Cc4ccccc4)CC3)cccc2)ccc1	PC-id_42273303	442.533	ROJWKIUUNQQSMM-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-134800
O=C(c1ccco1)N[C@H](c1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)c1ccccc1)C	GD-id_ZINC12005133,PC-id_42349175	442.533	YZHHYDFEEKEVPC-IBGZPJMESA-O	00000000101000110101100000000010000000000000000000000000	31-01-134801
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)c1occc1	PC-id_74845302	442.533	YZHHYDFEEKEVPC-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-134802
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)c1occc1	PC-id_42472250	442.533	TZKZUMPDAOJXME-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-134803
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)c1occc1	PC-id_42349171	442.533	YZHHYDFEEKEVPC-LJQANCHMSA-O	00000000101000110101100000000010000000000000000000000000	31-01-134804
Brc1ccc(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)cc1	PC-id_26952080	443.378	QQUDHBONOSGKAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135013
s1c2CCCCCc2c(c1NC(=O)CSc1n(N)c(nn1)c1ccc(F)cc1)C#N	PC-id_24378414	442.533	FJSIDJHNGWSNDV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134805
C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O	CoCoCo_4054376,ZINC22_8993829,PC-id_40901165	442.535	OEISKPPXUXKEKB-NRFANRHFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134806
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O	PC-id_40901166,CoCoCo_4054375,ZINC22_8993830	442.535	OEISKPPXUXKEKB-OAQYLSRUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134807
O=C(NN1C(=O)NC(C1=O)(C)CCc1ccccc1)CSc1nnc2n1CCCCC2	EMOLS-id_11987436,MCULE-6200625061,PC-id_17554775	442.535	OEISKPPXUXKEKB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-134808
Cc1nc2c(s1)CCN(CC2)C(=O)Cn1c(cc(n1)c1cc(c(cc1)F)OC)C(C)C	SCHEMBL15001992,PC-id_89607909	442.549	MDGUZOBHPMNKAI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134809
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=N)N1CCOc2c(C1=N)ccs2	PC-id_141859864	442.549	KZFKYHVNPVYLEJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134810
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=N)N1CCOc2c(C1=N)csc2	PC-id_141859857	442.549	LLDPGNSEOJTQDS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134811
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=N)N1CCOc2c(C1=N)scc2	PC-id_141859759	442.549	OHKABPNHRBRJHV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134812
s1c2CCCCCc2c(c1NC(=O)CN(CC(=O)NCc1ccc(F)cc1)CC)C#N	PC-id_27201575	442.549	LHYXOYNGTFZIQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134813
c1(C(=O)NN=Cc2cc(OC)c(c(OC)c2)OC)c2CCCCCCCCCCc2[nH]n1	PC-id_1538984,MCULE-1970408991	442.551	DVGZZMJHIDGJRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134814
CCOC(=O)c1c(NC(=O)c2ccc(cc2)Oc2nccs2)sc2c1CCCCC2	PC-id_92072673	442.551	VFOAHRHBNWDCFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134815
COc1cc(CCC2CCN(CC2)C(=O)Cn2nc3n(c2=O)CCCCC3)cc(c1)OC	PC-id_86924759	442.551	CZRRXRGXIDYQRI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134816
COc1cc(/C=NNC(=O)c2n[nH]c3CCCCCCCCCCc23)cc(OC)c1OC	EMOLS-id_31532286,CoCoCo_6392889,TIMTEC134030,CoCoCo_6392891	442.551	DVGZZMJHIDGJRS-XYGWBWBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134817
COc1cc(/C=N/NC(=O)c2n[nH]c3CCCCCCCCCCc23)cc(OC)c1OC	PC-id_6888674,CoCoCo_6392892,STOCK3S-35927,CoCoCo_6392890,EMOLS-id_26302867	442.551	DVGZZMJHIDGJRS-PCLIKHOPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134818
COc1c(OC)ccc(c1OC)CN1CCN(CC1)C(=O)Cn1cc2c(n1)CCCCC2	CoCoCo_2192248,PC-id_20892422	442.551	YXTKVLDEVTZUQJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134819
NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)c3cc4c(s3)CCCCC4)cc2)cc1	EMOLS-id_50318749,ZINC22_170623482,PC-id_99805914,MCULE-8801919748	442.551	QBJORMMBTSELQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134820
O=C(N1C(CCCC1)CCc1cc(OC)c(OC)cc1)Cn1nc2n(CCCCC2)c1=O	PC-id_56371326	442.551	QCKIAPOLCOVZPG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134821
c12C(=O)N(CCCn1nc(C(=O)N1CCC(CC1)Cc1ccccc1)c2)Cc1ccccc1	PC-id_46347962,EMOLS-id_30600608,MCULE-5605530516	442.553	VSHUAIOJEZZWSI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134822
Cc1c(ccc(c1)c1nn(c(n1)CC(C)C)CC(=O)N1CCc2c(CC1)sc(n2)N)F	SCHEMBL15024531,PC-id_89623260	442.553	KPXDZQLCYQJAMV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134823
CCC(c1nc(nn1CC(=O)N1CCc2c(CC1)nc(s2)N)c1ccc(c(c1)C)F)C	PC-id_89623252,SCHEMBL15024521	442.553	HDHRPNBIIDECKV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134824
CCCCc1nc(nn1CC(=O)N1CCc2c(CC1)nc(s2)N)c1ccc(c(c1)C)F	SCHEMBL15024272,PC-id_89623072	442.553	BAWBFUGLYRQVIO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134825
O=C1CCN(C(=O)c2c1ccn2CCN1CCN(CC1)c1ccccc1)Cc1ccccc1	PC-id_15229177,SCHEMBL6990656	442.553	QREHFWKRHQUIPG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134826
CCCc1c(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)[nH]c(C)c1C(=O)OC	EMOLS-id_32025500,MCULE-8983930754,ZINC22_48230871,PC-id_47053052	442.554	JHYWQNXDEXRRKA-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-134827
CCOc1ccc(cc1)C[N@H+]1CCc2n(CC1)c(nn2)CNS(=O)(=O)c1ccccc1	GD-id_ZINC11909663	442.554	HLXHBJLPTOFUTM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134828
CCOc1cccc(c1O)CN1CCc2n(CC1)c(nn2)CNC(=O)C1CCCN(C1)C	MCULE-6509232484,EMOLS-id_29555670,PC-id_45189363	442.554	WZQLUTUQSBDCSX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134829
COc1ccc(cc1C)C[N@H+]1CCc2n(CC1)c(nn2)CNS(=O)(=O)c1ccccc1	GD-id_ZINC12041735	442.554	YOYNIYFGSBSCFY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134830
COc1cccc(CN2CCc3nnc(CNC(=O)C4CCCN(C)C4)n3CC2)c1OC	EMOLS-id_20613141,PC-id_45219685,MCULE-6228360488	442.554	SDUXJKUQQWZWED-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134831
COc1cccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCCN(C)C4)n3CC2)c1OC	CoCoCo_1437815,CoCoCo_1437814,CoCoCo_1437817,ZINC22_14957124,CoCoCo_1437816	442.554	SDUXJKUQQWZWED-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134832
COc1cccc(CN2CCc3nnc(CNC(=O)[C@H]4CCCN(C)C4)n3CC2)c1OC	ZINC22_14957128,CoCoCo_1437813,CoCoCo_1437812,CoCoCo_1437811,CoCoCo_1437810	442.554	SDUXJKUQQWZWED-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134833
COc1ccc(OC)c(CN2CCc3nnc(CNC(=O)C4CCCN(C)C4)n3CC2)c1	MCULE-5069179355,PC-id_45184966,EMOLS-id_20462833	442.554	UZCUDRQJKCIEHV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134834
COc1ccc(OC)c(CN2CCc3nnc(CNC(=O)[C@H]4CCCN(C)C4)n3CC2)c1	CoCoCo_1218062,ZINC22_14889598,CoCoCo_1218060,CoCoCo_1218061,CoCoCo_1218059	442.554	UZCUDRQJKCIEHV-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134835
COc1ccc(OC)c(CN2CCc3nnc(CNC(=O)[C@@H]4CCCN(C)C4)n3CC2)c1	CoCoCo_1218063,CoCoCo_1218066,CoCoCo_1218065,CoCoCo_1218064,ZINC22_14889596	442.554	UZCUDRQJKCIEHV-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134836
COC(c1nnc2n1CCCCC2CC(=O)N1CCC(CC1)c1cc(C)n[nH]c1=O)(C)C	PC-id_143218111	442.554	ZVIGPNKAAAKNKI-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-134837
O(C(=O)N1CCC(n2c(ccc2)C(=O)NCc2n3CCCCCc3nn2)CC1)C(C)(C)C	PC-id_60280073	442.554	HKVJJNUMDZPUFA-UHFFFAOYSA-N	00000000110010000101100000000010000000000000000000000000	31-01-134838
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(SCc2noc(c2)C)nccc1	PC-id_31794940	442.554	RERHZFVKSJATRX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-134839
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c2ccccc2)cnn1)C(=O)OC	PC-id_3978214	442.554	SRGOLZNOTVLGLB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-134840
s1c2CCCCCCc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	PC-id_60385758	442.554	XVESCENIBKHQEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134841
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2	ZINC22_20911932	442.556	SXWMJWGKYYNEED-LJQANCHMSA-N	00000000100000110101000001100010000000000000000000000000	31-01-134842
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2	ZINC22_20911936	442.556	SXWMJWGKYYNEED-IBGZPJMESA-N	00000000100000110101000001100010000000000000000000000000	31-01-134843
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3cc4ccccc4[nH]3)CCn12	EMOLS-id_232735144,PC-id_45930517,MCULE-4123954879	442.556	SXWMJWGKYYNEED-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-134844
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1n(N)c(nn1)c1c(occ1)C)C)C#N	PC-id_27339317	442.558	WRSJZINBMFOOLN-GFCCVEGCSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134845
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1n(N)c(nn1)c1c(occ1)C)C)C#N	PC-id_27339318	442.558	WRSJZINBMFOOLN-LBPRGKRZSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134846
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(N)c(nn1)c1c(occ1)C)C)C#N	PC-id_24497032	442.558	WRSJZINBMFOOLN-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-134847
s1c2CCCCCc2c(c1NC(=O)CSc1n(N)c(n2nc(cc2C)C)nn1)C#N	PC-id_55426474	442.561	NHMJSHZSBXBVPV-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-134848
CCOC1CCN(C(=O)c2c1n(C)cc2C)CCCN1CCN(CC1)c1ccc(cc1)F	SCHEMBL6773923,PC-id_22738118	442.569	STDRQGPVAARULK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134849
COC1CCN(C(=O)c2c1n(C)cc2C)CCCCN1CCN(CC1)c1ccc(cc1)F	PC-id_18388582,SCHEMBL6775815	442.569	HMVSPRDBCKKAKV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134850
COC1CCN(C(=O)c2c1n(CC)cc2C)CCCN1CCN(CC1)c1ccc(cc1)F	SCHEMBL6776122,PC-id_22738116	442.569	RMSOODPWKKYCGW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134851
c1(NC(=O)c2cc(c(OCC)c(OCC)c2)OCC)sc2c(CCCCCC2)c1C#N	PC-id_4283203,CoCoCo_6596353,MCULE-4926611978,ZINC22_2734281,SPECS-id_AK-968/11841369,EMOLS-id_5345799	442.571	LGTDDBVYSFBMLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134852
COC1(CCN(CC1)CCc1coc2c1CCCC=C2)CSc1ccc(cc1)[N+](=O)[O-]	PC-id_141983718	442.571	CKVWTJJZOAKZAB-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-134853
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(cc(cc1C)C)C)C(=O)NC(=O)OCC	PC-id_41642868	442.571	ZITWAGXOJISVNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134854
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(C(C)C)cc1)C(=O)NC(=O)OCC	PC-id_41362772	442.571	PHZPEDMWXGMUNQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134855
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)C(=O)c1c(OC)cc(OC)cc1	PC-id_52707387	442.571	MABSCGTYGXFQNE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134856
s1c2CCCCCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1ccc(OC)cc1	PC-id_24341565	442.571	GFHKYRHRDIYOOK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134857
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCC(=O)Nc1c(cc(cc1C)C)C	PC-id_16512657	442.571	ZGRIZTIVDWSVQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134858
s1c2CCCCCCc2cc1C(=O)OC(C(=O)NCC(=O)Nc1c(cccc1C)C)C	PC-id_45655419	442.571	DBWIXSIWJMJQBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134859
C#CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_409019019	442.573	VGXPHGBWIDJRTJ-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134860
C#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_409014165	442.573	MKDOJSURVOPWPX-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134861
CCNC(=NCCc1nnc2n1CCCCC2)NC(c1ccc(c(c1)F)OCC1CC1)C	PC-id_109761223	442.573	IBFXUIIRAHYIBF-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-134862
CCNC(=NCCCc1nnc2n1CCCCC2)N1CC(C)OC(C1)c1ccc(cc1)F	PC-id_109523943	442.573	GGYWLXQBQFVGCW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134863
CN=C(NC(c1ccc(c(c1)F)OCC1CC1)C)NCCCc1nnc2n1CCCCC2	PC-id_109760683	442.573	UOCZVGGDVVZYKP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-134864
s1c2c(CCCCC2)c(c1NC(=O)CN(S(=O)(=O)c1sccc1)C)C(=O)OC	PC-id_31471487	442.573	KGSAVGBGDGHCJZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-134865
c1(NC(=O)CCC(=O)N2CCN(CC2)c2ccc(cc2)OC)sc2c(CCCCC2)n1	MCULE-4894501094,EMOLS-id_334779441	442.574	LUMJBUCHHNYBGK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134866
c1(NC(=O)CCC(=O)N2CCN(CC2)c2ccccc2OC)sc2c(CCCCC2)n1	MCULE-8897279291,EMOLS-id_334763063	442.574	QSKCSSYBBIAPAC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134867
c1(NC(=O)CCC(=O)N2CCN(CC2)c2cccc(OC)c2)sc2c(CCCCC2)n1	EMOLS-id_334773554,MCULE-6626959727	442.574	CVGCIXZTNCKIMI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134868
CN(CCCc1c(/C=C/2C(=O)Nc3c2cc(cc3)S(=O)(=O)N)[nH]c2c1CCCCC2)C	SCHEMBL6702113,PC-id_10478540	442.574	YCQQAWOCWADIAN-RGEXLXHISA-N	00000010100000100100000000001010000000000000000000000000	31-01-134869
O1CCC(CC1)C(=O)NC(c1n2CC[NH+](CCc2nn1)Cc1c(c(c(OC)cc1)C)C)C	PC-id_74803774	442.574	CIBXVBQCDJQJMS-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134870
O1CCC(CC1)C(=O)N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(c(c(OC)cc1)C)C)C	PC-id_42441834	442.574	CIBXVBQCDJQJMS-GOSISDBHSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134871
O1CCC(CC1)C(=O)N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(c(c(OC)cc1)C)C)C	PC-id_42441837	442.574	CIBXVBQCDJQJMS-SFHVURJKSA-O	00000000100010110101000000000010000000000000000000000000	31-01-134872
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1ccc(OC)cc1)CC(C)C)COC	PC-id_74799573	442.574	TWKDMDRFLQEBCD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134873
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)CC(C)C)COC	PC-id_42365786	442.574	TWKDMDRFLQEBCD-LYSGITKLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-134874
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)CC(C)C)COC	PC-id_42365788	442.574	TWKDMDRFLQEBCD-YAQIIAKESA-O	00000000100000110101000000000010000000000000000000000000	31-01-134875
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ncccc1)C(=O)OCC	PC-id_22199413	442.574	HFEMBABBRVJXTR-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-134876
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(CNC(=O)NC(C)C)cc1	PC-id_24487623	442.574	ZCDWKLBDDZFWGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134877
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ncccc1)C(=O)OC	PC-id_22199395	442.574	OJIDWIOWGCJXRD-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-134878
S(=O)(=O)(N)c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCN(C)C)C(=O)Nc2cc1	PC-id_85154128	442.574	YCQQAWOCWADIAN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-134879
CC(=NO)c1cc2c(s1)CCCN(C2=O)CCCCN1CCN(CC1)c1ncccn1	PC-id_86746098	442.578	IZCIDHBWCKSQAV-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-134880
CC(=O)Nc1sc2c(c1)C(=O)N(CCC2)CCCCN1CCN(CC1)c1ncccn1	PC-id_19881041,SCHEMBL9039179	442.578	QUEAJEFLYQIKNX-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-134881
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)C(=O)CSc1ccccn1	EMOLS-id_20748419,CoCoCo_1645367,ZINC22_15071589,PC-id_26403000,MCULE-5596431035	442.578	VLZCROKTXMTUGT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-134882
O/N=C(/c1sc2c(c1)C(=O)N(CCC2)CCCCN1CCN(CC1)c1ncccn1)C	SCHEMBL9039637	442.578	IZCIDHBWCKSQAV-KOEQRZSOSA-N	00000000100010100101100000000010000000000000000000000000	31-01-134883
s1c2CCCN(CCCCN3CCN(CC3)c3ncccn3)C(=O)c2cc1C(N=O)C	PC-id_54340004	442.578	TYFYSDBGRBKQRL-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-134884
s1c2c(CCCCCC2)cc1C(=O)N1CCC(CC1)C(=O)NCCc1c(F)cccc1	PC-id_55779016	442.589	VTZPIJQGJQDNFU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134885
s1c2CCCN(CCCCN3CCC(CC3)C(=O)c3ccc(F)cc3)C(=O)c2cc1C	PC-id_19881148	442.589	WGXPARPJJJDZHO-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134886
CCCCC1CCCCCCc2c1cc(n2C(=O)OC(C)(C)C)/C=C
/C(=CC(=O)N1)OC	PC-id_134939098	442.591	ZMFSUKKSUIZUFE-PGMHBOJBSA-N	00000011100000000100000000000010000000000000000000000000	31-01-134887
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(N1CCCc2c(C1=N)scc2)N	PC-id_141859859	442.593	HNXFLDHENYFYEB-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134888
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)CCC	PC-id_55763013	442.593	DDTXNQADRVCLRS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-134889
c1(c2CCCCCc2sc1NCc1cccs1)C(=O)Nc1ccc(cc1OC)OC	CHEMBL1336015,ZINC22_2909632,SCHEMBL10077287,PC-id_4986524,CoCoCo_2720525,MCULE-8923543304,EMOLS-id_8618384	442.594	VVKPEYHUWVGCDN-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-134890
c1(c2CCCCCc2sc1NCc1cccs1)C(=O)Nc1c(OC)ccc(OC)c1	BAS-03715741,SCHEMBL10076993,MCULE-6749568153,CoCoCo_306089,PC-id_1166926,EMOLS-id_1439645,ZINC22_920927	442.594	AHKWXSLIFNHFET-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-134891
c1(NC(=O)C(C)Sc2c[nH]c3ccccc23)sc2c(CCCCC2)c1C(=O)OCC	MCULE-5194946340,EMOLS-id_16384344,PC-id_4398780	442.594	UFEPHFNIYSZVCN-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-134892
c1(NC(=O)CSc2c3ccccc3n(C)c2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2667416,MCULE-8418167576,PC-id_4670621,EMOLS-id_16384152	442.594	WPNYRDQBVZFPMG-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-134893
CCOc1ccc(cc1OC)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C	PC-id_25722500,GD-id_ZINC13134916	442.594	LKVYWCUCDKLUHT-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-134894
CCOC(=O)c1c(NC(=O)[C@@H](Sc2c[nH]c3c2cccc3)C)sc2c1CCCCC2	CoCoCo_2667572,PC-id_40461060	442.594	UFEPHFNIYSZVCN-AWEZNQCLSA-N	00000000100000100100000001100010000000000000000000000000	31-01-134895
CCOC(=O)c1c(NC(=O)[C@H](Sc2c[nH]c3c2cccc3)C)sc2c1CCCCC2	PC-id_40461059,CoCoCo_2667571	442.594	UFEPHFNIYSZVCN-CQSZACIVSA-N	00000000100000100100000001100010000000000000000000000000	31-01-134896
N#CC(=c1ccc2=c(cc1)cc/c/2=Cc1cc(c2-c1ccc(cc2)C(C)(C)C)C(C)(C)C)C#N	PC-id_101172420	442.594	NZXARFVZMBBYEH-HAVVHWLPSA-N	00000011100000000110000000000010000000000000000000000000	31-01-134897
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCCC1)C(=O)Nc1ccc(OCC)cc1	PC-id_40873087	442.594	HMJSPIROOPIFNN-UHFFFAOYSA-O	00000010100000110100000000000010000000000000000000000000	31-01-134898
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCCCC1)C(=O)Nc1c(OC)cccc1	PC-id_26875600	442.594	BJUSIEMYDJCGNK-UHFFFAOYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-134899
s1c2c(CCCCC2)c(c1NC(=O)CSc1c2c([nH]c1C)cccc2)C(=O)OCC	PC-id_3419360	442.594	WYLBUIALOIFSDU-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-134900
O=C1N(CCCN2CCN(CC2)c2ccccc2)CCCc2c1ccn2Cc1ccccc1	SCHEMBL6775847,PC-id_22738057	442.596	VBISSAYILSWKMQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134901
CCN1CCN(CC1)c1ccc(cc1N)C(=O)Nc1sc2c(c1C(=O)[NH3+])CCCCC2	PC-id_143029599	442.597	LUTRFUXABNTVFW-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-134902
O=C(c1cc2c(s1)CCCCCC2)N1CCN(Cc2nc(c3cccs3)no2)CC1	CoCoCo_4491638,EMOLS-id_27380411,PC-id_24609973,ZINC22_14421851,MCULE-8704354541	442.597	PBHHBFAKJRRUTE-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-134903
O=C(c1cc2c(s1)CCCCCC2)N1CCN(Cc2nc(c3ccsc3)no2)CC1	CoCoCo_4671615,EMOLS-id_25661608,PC-id_38218086,ZINC22_31041791,MCULE-8115927836	442.597	ZOIJZHLNYIDIBM-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-134904
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(CCCC)ccc2c1N)C(=O)N	PC-id_23745648	442.597	YTBFMIZMNZSSNP-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-134905
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(CC(C)C)ccc2c1N)C(=O)N	PC-id_23803878	442.597	HQYKBQMOTPFASL-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-134906
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)c1sccc1)C#N	PC-id_31991182	442.597	FOZNULDOYFFFED-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-134907
s1c2CCCCCc2c(c1NC(=O)CN(CC(=O)Nc1c(SC)cccc1)C)C#N	PC-id_38210657	442.597	AAMRKDYIXTZUEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134908
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)Cc1nc2sccn2c(=O)c1	PC-id_46656548	442.597	PGFMWCPAVVCZMC-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-134909
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(c(c(c2c1N)C)C)C)C(=O)N	PC-id_23832637	442.597	AEWQRHVGITVCPA-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-134910
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(CCC)ccc2c1N)C(=O)N	PC-id_23774837	442.597	IRGKEZJKPYLUHL-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-134911
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(C(C)C)ccc2c1N)C(=O)N	PC-id_23888873	442.597	GQIVBMPLMMNWAX-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-134912
CC1C(=C)Nc2c(CN1C(=O)C1CCC(CC1)CNC(=O)CC1CCNCC1)cnn2C	PC-id_143188832	442.598	WCBXOKMPPIJVMR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-134913
CCNC(=NCC(c1cccc(c1)OC(C)C)O)NCCCc1nnc2n1CCCCC2	PC-id_109491380	442.598	KQABJCJYIQUXAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134914
CCNC(=NCC(c1ccc(cc1)OC(C)C)O)NCCCc1nnc2n1CCCCC2	PC-id_109493679	442.598	CVLIYCSIPRCGSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134915
CCNC(=NCCc1nnc2n1CCCCC2)NCCc1ccc(c(c1)OCC)OCC	PC-id_111246393	442.598	PQZGIIBCCDURCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134916
CCNC(=NCCCc1ccc(c(c1)OCC)OC)NCCc1nnc2n1CCCCC2	PC-id_111574401	442.598	JGDSRZYVMBBIJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134917
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1cc(OC)c(cc1C)OC)C	PC-id_111368041	442.598	ZIEGARUESDYGOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134918
CCOc1cc(ccc1OCC)C(NC(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_111298437	442.598	RNOHVRXKKDNMBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134919
CCOc1cc(CCCNC(=NC)NCCCc2nnc3n2CCCCC3)ccc1OC	PC-id_111574825	442.598	CEDINYWSQBPRTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134920
CCOc1cc(CCNC(=NC)NCCCc2nnc3n2CCCCC3)ccc1OCC	PC-id_111246469	442.598	HNXBFGAIMTUISJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134921
CCOCCCNC(=NCc1ccc(cc1)OC)NCCCc1nnc2n1CCCCC2	PC-id_110935152	442.598	ZWAFHRNXWXLJJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134922
CCOCCOc1cc(C)ccc1CN=C(NCCc1nnc2n1CCCCC2)NCC	PC-id_109600002	442.598	ANIYFWGYECBOJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134923
CCOCCOc1cc(C)ccc1CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109600366	442.598	AZSOAEUPYMQVSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134924
COCCCOc1cc(C)ccc1CN=C(NCCc1nnc2n1CCCCC2)NCC	PC-id_109604098	442.598	FDLUQJIIEWPZKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134925
COCCCOc1cc(C)ccc1CNC(=NC)NCCCc1nnc2n1CCCCC2	PC-id_109604458	442.598	LQJFVHBDVFNESH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134926
COCCOc1cc(C)ccc1CN=C(NCCCc1nnc2n1CCCCC2)NCC	PC-id_109625316	442.598	QZPOEXJXSVPBMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134927
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(c(OC)cc1)C)C)C1CC[NH+](CC1)C	PC-id_74805523	442.598	GVNMZJNUOYSVHD-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-134928
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(c(OC)cc1)C)C)C1CC[NH+](CC1)C	PC-id_42461979	442.598	GVNMZJNUOYSVHD-GOSISDBHSA-P	00000000100010110101000000000010000000000000000000000000	31-01-134929
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(c(OC)cc1)C)C)C1CC[NH+](CC1)C	PC-id_42461986	442.598	GVNMZJNUOYSVHD-SFHVURJKSA-P	00000000100010110101000000000010000000000000000000000000	31-01-134930
c1ccc(cc1)CCn1cc2c(n1)C(=NC(CN2)Cc1ccccc1)NCCN1CCCC1	SCHEMBL3467657,PC-id_136376677	442.599	XZQPVTKDVFGJDN-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-134931
c1ccc(cc1)CCn1cc2c(n1)C(=N[C@@H](CN2)Cc1ccccc1)NCCN1CCCC1	SCHEMBL3466866,PC-id_135858174	442.599	XZQPVTKDVFGJDN-XMMPIXPASA-N	00000010100000110111000000000010000000000000000000000000	31-01-134932
s1cc(nc1c1sccc1)CC(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1	PC-id_46633244	442.601	NWCUATVTANRSBF-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-134933
O=C1CCC(CC1)[C@H](c1sc2c(c1C)C(O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL19186038	442.614	MZACHGSHCKEOAH-ZRTDVJLTSA-N	00000000100010101100000000000010000000000000000000000000	31-01-134934
s1c2CCCCCc2cc1C(=O)NCc1cc(OCCN(C2CCOCC2)C)ccc1	PC-id_56485599	442.614	RTOYZWASGTYPNH-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134935
Cc1cc(C)cc(NC(=O)c2c(/N=C/C=C/c3ccccc3)sc3c2CCCCCC3)c1	ZINC22_409010676	442.616	DFGSOLMYENPACG-WPRBOHTRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134936
Cc1ccc(C)c(NC(=O)c2c(/N=C/C=C/c3ccccc3)sc3c2CCCCCC3)c1	ZINC22_409014560	442.616	MZCRLRJVUIWGPK-FYTLUAJBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134937
Cc1cccc(NC(=O)c2c(/N=C/C=C/c3ccccc3)sc3c2CCCCCC3)c1C	ZINC22_409015903	442.616	PIRXQEHUANHDIX-WXXKQLPBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134938
Cc1ccc(NC(=O)c2c(/N=C/C=C/c3ccccc3)sc3c2CCCCCC3)cc1C	ZINC22_409011182	442.616	FBYKPACWOFSBQP-FYTLUAJBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134939
CSc1ccc(cc1)CN1CCc2n(CC1)c(nn2)CCNC(=O)[C@H]1CCCN(C1)C	CoCoCo_1170996,CoCoCo_1170999,CoCoCo_1170998,CoCoCo_1170997	442.621	IQDDXDQXCUXANG-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-134940
CSc1ccc(cc1)CN1CCc2n(CC1)c(nn2)CCNC(=O)[C@@H]1CCCN(C1)C	CoCoCo_1171001,CoCoCo_1171003,CoCoCo_1171002,CoCoCo_1171000	442.621	IQDDXDQXCUXANG-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134941
S(c1ccc(CN2CCn3c(nnc3CCNC(=O)C3CCCN(C3)C)CC2)cc1)C	PC-id_45177107	442.621	IQDDXDQXCUXANG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134942
c1(c2-c(cc1)c(cc(cc2C)C)C)Cc1ccc(Cc2c3-c(cc2)c(cc(cc3C)C)C)cc1	PC-id_11843355	442.634	QRFXZILGYMQCAZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-134943
C(c1ccc2-c(ccc2[C+](c2c3-c(ccc(C(C)(C)C)cc3)cc2)[C]2[CH][CH][CH][CH]2)cc1)(C)(C)C	PC-id_44604701	442.634	GZNWSRZAVISRST-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-134944
CC(C)(C)c1ccc2-c(c(cc2)/C(=C/C=Cc3ccc(cc[c+]23)C(C)(C)C)/[C]2[CH][CH][CH][CH]2)cc1	PC-id_135859948	442.634	GZNWSRZAVISRST-GCUVURNUSA-N	00000011100000000110000000000010000000000000000000000000	31-01-134945
s1c2c(CCCCC2)c(c1NC(=S)N1CCC(CC1)Cc1ccccc1)C(=O)OC	PC-id_19654186	442.637	YDGDABVPEHFJMJ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-134946
s1c(C(c2c3-c(c(SC)c2)ccccc3)c2c3-c(c(SC)c2)ccccc3)ccc1	PC-id_53344101	442.659	OTIGOUISRJWKAK-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-134947
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1ccc(N(CC)CC)cc1	PC-id_30377002	442.66	CVDAFGYQGCKAFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134948
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(CCn12)C(=O)c1ccnc(Cl)c1	MCULE-4385395559,EMOLS-id_20428701,PC-id_45177070	442.899	KOTMNNFDENBXOD-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-134949
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)c1ccnc(Cl)c1)CC2	CoCoCo_1170782,ZINC22_11788578	442.899	KOTMNNFDENBXOD-GOSISDBHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-134950
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)c1ccnc(Cl)c1)CC2	CoCoCo_1170783,ZINC22_11788579	442.899	KOTMNNFDENBXOD-SFHVURJKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-134951
Fc1cccc(Cl)c1CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	ChEMBL-DNDi_CHEMBL16952496,CoCoCo_1182341,CoCoCo_1182342,MCULE-1357877612,PC-id_28392413,EMOLS-id_20436973,ZINC22_19838673	442.917	KUIUGAZUQLGPDO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-134952
Clc1c(C(c2cc3-c(c2)ccccc3)(C)C)cc(C2OC(C(O)C(O)C2O)CO)cc1	PC-id_77444962	442.932	PAZPQGVKSXLCDD-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-134953
Clc1c(C(c2cc3-c(c2)ccccc3)(C)C)cc([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc1	PC-id_68264509,SCHEMBL12439579	442.932	PAZPQGVKSXLCDD-SJSRKZJXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-134954
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1ccccc1Cl	EMOLS-id_2105128,ZINC22_2974198,PC-id_2276408,MCULE-5493178941,CoCoCo_1797051	442.934	WNOAGEAOJRIHTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134955
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc23)c(Cl)c1	BindingDB_PC-id_44374802,CHEMBL350089,SCHEMBL8797804,PC-id_44374802	442.934	SANDMOXQSHAQIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134956
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1cccc(c1C)F	PC-id_19029044,SCHEMBL6987256	442.934	WMIZOLKCIDBQSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134957
Clc1cc(C(=O)N2CCCCc3sccc23)ccc1NC(=O)c1c(ccc(F)c1)C	PC-id_57130363	442.934	PIIZGVLAFWBFHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134958
Clc1cc(C(=O)N2CCCCc3sccc23)ccc1NC(=O)c1c(c(F)ccc1)C	PC-id_57202557	442.934	APJPRVJUBBYRFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134959
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)c2c(ccc(F)c2)C)cc1	PC-id_69954776,SCHEMBL6991947	442.934	NSQUFNTVCOQKND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134960
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)c2c(cc(F)cc2)C)cc1	PC-id_69955255,SCHEMBL6993624	442.934	MCWCRWMELZHEEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134961
Clc1c(C2(CC(=O)N(C2=O)C)CC(=O)N(Cc2n[nH]c3c2CCCCC3)C)cccc1	PC-id_45165641	442.938	PKAZAZISHQYFMU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-134962
Clc1c(c2oc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)C(C)C)C)CC3)cc2)cccc1	PC-id_42381363	442.962	LFQUPXCXQWLTSP-INIZCTEOSA-O	00000000101000110101100000000010000000000000000000000000	31-01-134963
Clc1c(c2oc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)C(C)C)C)CC3)cc2)cccc1	PC-id_42381367	442.962	LFQUPXCXQWLTSP-MRXNPFEDSA-O	00000000101000110101100000000010000000000000000000000000	31-01-134964
Clc1c(c2oc(C[NH+]3CCn4c(nnc4C(NC(=O)C(C)C)C)CC3)cc2)cccc1	PC-id_74793664	442.962	LFQUPXCXQWLTSP-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-134965
Clc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)cc1	PC-id_26345448	442.962	OIZGZMLFUMZUPX-LJQANCHMSA-O	00000000101000110101000000000010000000000000000000000000	31-01-134966
Clc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)cc1	PC-id_26345452	442.962	OIZGZMLFUMZUPX-IBGZPJMESA-O	00000000101000110101000000000010000000000000000000000000	31-01-134967
Clc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)cc1	PC-id_74498873	442.962	OIZGZMLFUMZUPX-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-134968
Clc1cc(NC(=O)C(Sc2n3CCCCCc3nn2)c2ccccc2)ccc1OC	MCULE-7017918016,PC-id_16291312,EMOLS-id_11708265	442.962	VOYXMAHMUYCGAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134969
Clc1n(nc(c1C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)C)Cc1ccccc1	PC-id_60388284	442.962	PFJLDLOGANPAQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134970
CN1CCc2c(CC1)cc(s2)Nc1c(O)cc(cc1C(=O)Nc1ccc(cn1)C)Cl	PC-id_145508603	442.962	CDMCDVJZJKRALL-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-134971
COc1ccc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1Cl	ZINC22_9816813,PC-id_41228598,CoCoCo_3081401	442.962	VOYXMAHMUYCGAO-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134972
COc1ccc(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1Cl	ZINC22_9816819,CoCoCo_3081402,PC-id_41228602	442.962	VOYXMAHMUYCGAO-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134973
Clc1ccc(S(=O)(=O)N2C(C(CCCC)c3c(scc3)CC2)C(=O)NO)cc1	PC-id_76414202	442.98	SOJIPCDKPOPZGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134974
Clc1ccc(S(=O)(=O)N2[C@@H]([C@@H](CCCC)c3c(scc3)CC2)C(=O)NO)cc1	PC-id_57094806	442.98	SOJIPCDKPOPZGU-WMZOPIPTSA-N	00000000100000110100000000000010000000000000000000000000	31-01-134975
Clc1ccc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)cc1	PC-id_22195796	443.005	IDUSYYJDBORODB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134976
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1	PC-id_22195221	443.005	VESOUGQPEGWIPQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134977
Clc1ccc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C#N)cc1	PC-id_22198454	443.005	YRSGBOANUUVYIL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134978
Clc1cc(N2CCN(CC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1	PC-id_27156741	443.005	QOVIPFDGCDUXNS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134979
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)c(cc1)C	PC-id_22199255	443.005	HCUDVBZJYNMGSP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134980
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)cccc1	PC-id_22194647	443.005	JWYNMKRGJLGTNJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-134981
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C#N)ccc1	PC-id_22198662	443.005	QQLPREMNEMCATC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134982
Clc1c(N2CCN(CC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)cccc1	PC-id_27155498	443.005	OJRBIWDIRFXWIT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134983
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@](CO3)(C)C=C)C(F)(F)F	PC-id_160043474	443.113	RFRJHTSXZDSSIF-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134984
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@](CO3)(C)C=C)C(F)(F)F	PC-id_160043475	443.113	RFRJHTSXZDSSIF-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134985
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)C(=C)C)C(F)(F)F	PC-id_161731956	443.113	HIZITBIKVPZLKO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134986
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)C(=C)C)C(F)(F)F	PC-id_161731957	443.113	HIZITBIKVPZLKO-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134987
Brc1cc(CC2c3nc([nH]c3CCNC2=O)C)cc(Br)c1OC	PC-id_59488631,SCHEMBL7598450	443.133	ZRIRRQLNUGJRQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134988
C1CC2=C(CS(C1)(O)O)C(=NN2)C(=O)N3CCC(CC3)C4=CC=CC=C4C(F)(F)F	PC-id_154944516	443.149	JXRHXJXTAXHMGN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-134989
CC(C)C(C(=O)CC1CC2=C(CNC(=O)C1=O)C=NS2)NC(=O)OCC3=CC=CC=C3	PC-id_160311070	443.151	PUGRFULSPQFFBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134990
CC(C)C(C(=O)CC1CC2=C(CNC(=O)C1=O)N=CS2)NC(=O)OCC3=CC=CC=C3	PC-id_147644107	443.151	GIEYPRKPMJTKFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134991
CC(C)C(C(=O)CC1CC2=CN=C(S2)CNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_148305918	443.151	LACKPSZNNLPHCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134992
CC(C)C(C(=O)CC1CC2=NC=C(S2)CNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_148444729	443.151	MAAMIXIUDWOGTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134993
CC(C)C1=CC=C2C(=CC1)C(=C(N2CC3=CC=C(C=C3)Cl)CC(=O)O)SC(C)(C)C	PC-id_153381811	443.169	XVVQORCBSCAROW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-134994
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)CCS(=O)(=O)C	PC-id_155171384	443.209	FXNPFAOOERVAHS-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-134995
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)OC	PC-id_155171339	443.242	NGZPNZBDYHQREZ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134996
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC(=CC=C3)OC	PC-id_155171385	443.242	VVAIIRLHNVYQSY-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134997
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=CC=C3OC	PC-id_155171391	443.242	ISNQDMSOBNMYPZ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134998
CC1=NN(C2=C1CCCCC2)CC(=O)C[C@@H](CC3=CC=CC=C3)C(=O)N(C)C4=CC=CC=C4	PC-id_149013652	443.257	QCCUZPKCWVOASI-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-134999
Brc1cn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1[nH]nc(n1)Cc1ccccc1	SCHEMBL19228223	443.297	UCBVMPFTVSPKQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135000
C1CCc2c(CC1)sc(c2C(=O)Nc1ccccc1)NC(=O)C(F)(F)Br	PC-id_137652022	443.306	GAZFNWXLZNWENT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135001
C[C@@H](C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Br)C)O	PC-id_140762750	443.315	SBKMEKIBDOSRJY-QHGLUPRGSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135002
C[C@@H]([C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Br)C)O	SCHEMBL18352839	443.315	SBKMEKIBDOSRJY-JOYOIKCWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135003
Cn1cnc2c1C(=O)CC(C[N+]2(C)[O-])CC/C=C/CCCCCC(C/C=C/CCC=C)O	PC-id_164140264	443.315	YVORKNPGKCUKSR-CTQAOBCWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-135004
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1Cl)c2)Cc1ccc(cc1)Cl	EMOLS-id_16324766,MCULE-8453789152,PC-id_20964777,CoCoCo_2544611	443.326	DOYRFZAJGAXYPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135005
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)Cl)c2)Cc1ccc(cc1)Cl	MCULE-5401944871,PC-id_50797871,EMOLS-id_32846270	443.326	RYLMZJXCHMQTEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135006
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(Cl)c1)c2)Cc1ccc(cc1)Cl	CoCoCo_2544609,EMOLS-id_16324762,MCULE-7993279657,PC-id_20964775	443.326	YEWGNPRLSZMXJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135007
Brc1ccc(cc1)c1n[nH]c(c1)C(=O)NCCCc1nnc2n1CCCCC2	PC-id_86884602	443.34	WWWIOGYZFPUQOP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135008
Clc1sc(Cl)cc1C(=O)OC(C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_55423234	443.367	XGJWARLWKVLSMU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-135009
Brc1ccc(c(c1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_18838602,PC-id_25512597,CoCoCo_3948859,MCULE-7393516638	443.378	CPZXKLOFRAKIEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135010
Brc1cccc(c1)S(=O)(=O)NNC(=O)c1sc2c(c1)CCCCCC2	EMOLS-id_43897469,MCULE-5020819993,CoCoCo_3535388,PC-id_24234361	443.378	NTBKNQKZIFZSPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135011
Brc1c(cc(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cc1)C	MCULE-9284405174,CoCoCo_3538140,PC-id_17493532,EMOLS-id_16659415	443.378	JBYWEAIYIUDDMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135012
Brc1c(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)cccc1	PC-id_26952090	443.378	NHQHHRRLQJTDDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135014
c1(sc2c(CCCCCC2)c1C(=O)N)NS(=O)(=O)c1ccc(cc1)Br	CoCoCo_6787914,MCULE-1204391020,SPECS-id_AK-968/11840326,ZINC22_994537,EMOLS-id_1095670,CK1611933,TIMTEC409448,PC-id_1219705	443.378	QQLQWWLGERPELC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135015
CNC(=O)c1nccc(c1)Oc1cccc(c1)Nc1nn2c(n1)N=C(CC=C2)C(F)(F)F	PC-id_143057020	443.382	HZFNMMXNCXFEQG-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-135016
COC(=O)C/C(=N/N=c
/cc2-c(n1/C(=CC(=O)OC)/C(=O)OC)ccccc2)/C(=O)OC	PC-id_101599317	443.407	JPIPFIZTVYYWAS-NUDXUQDFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-135017
Clc1cc(CNC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1Cl	PC-id_19649425	443.41	VBAAKZXCEXQJAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135018
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_20409868	443.41	MQIWYOUPGLOEKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135019
Clc1c(CNC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_19649623	443.41	DJFQKDKZAVZNNI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135020
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc(Cl)c1	PC-id_20409823	443.41	SHVLJKNIZHOSBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135021
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1Cl	PC-id_20409861	443.41	MSEOEJDXAQOFTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135022
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc(Cl)c1	PC-id_20409816	443.41	KJHUAUHTRPUZRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135023
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cccc1Cl	PC-id_20409653	443.41	UKBROQYPQRBWKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135024
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_20409701	443.41	QPJJRAQVDLRKCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135025
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc(Cl)cc1	PC-id_20409768	443.41	UAWUQQUQUOWSKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135026
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cccc1Cl	PC-id_20409646	443.41	NFTLRJPYEUCMMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135027
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_20409696	443.41	DWNZVWMWKCJNQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135028
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc(Cl)cc1	PC-id_20409761	443.41	GIXCSBNLIAIBCG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135029
FC(F)(F)c1cccc(c1)C(=O)N1CCc2nnc(CNC(=O)c3ccccc3)n2CC1	ZINC22_11977000,MCULE-9180262049,CoCoCo_1173518,PC-id_42327665,EMOLS-id_20430689	443.422	IXBUEXBDGPYZGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135030
CN1c2ccnn2CC[C@@H](C1=O)NC(=O)c1nn(c(n1)CF)[C@H](CCF)c1ccccc1	SCHEMBL20276713,PC-id_135130768	443.45	FBCIOYZDYNMHND-JKSUJKDBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135031
CC(C(C(=O)NC1CCc2nnoc2CNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730023,SCHEMBL21109173	443.453	JJISCVCDQQDULX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135032
O=C(NC(C(=O)NC1Cc2nnc(o2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109542,PC-id_138730388	443.453	BTDFEMUVKZRAKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135033
O=C(NC(C(=O)NC1Cc2nnoc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109702,PC-id_138730547	443.453	CHDAKPAQTRYSAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135034
O=C(NC(C(=O)NC1CCc2onnc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730264,SCHEMBL21109417	443.453	CIYBOIFIIKOQTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135035
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)N1CCN(C)CC1	SCHEMBL17777771,BindingDB_PC-id_121358713,PC-id_121358713,BindingDB-id_731703	443.463	ZSBRXLXAMXHDAM-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-135036
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4cccc(F)c4F)CCn23)cc1	ChEMBL-DNDi_CHEMBL52799689,EMOLS-id_20608027,CoCoCo_1430240,PC-id_26317440,ZINC22_14952983,CoCoCo_1430241,MCULE-9568801993	443.465	SDMGOTCOBKGKOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135037
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4ccc(F)c(F)c4)CCn23)cc1	CoCoCo_1227506,CoCoCo_1227507,MCULE-7247697562,PC-id_42189288,ZINC22_11813029,EMOLS-id_20469323	443.465	ICNIUMHYNXWPIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135038
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4cc(F)cc(F)c4)CCn23)cc1	PC-id_28133676,CoCoCo_1420866,CoCoCo_1420867,ChEMBL-DNDi_CHEMBL51130262,MCULE-4843313835,ZINC22_19300378,EMOLS-id_20601785	443.465	HOSWHKURGWUXDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135039
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4c(F)cccc4F)CCn23)cc1	EMOLS-id_20468329,PC-id_28953532,CoCoCo_1225978,ZINC22_20449355,MCULE-1138208117,CoCoCo_1225979	443.465	AACUJDKFRSBAAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135040
FC(F)(F)c1cccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1	CoCoCo_1236967,MCULE-4151082642,CoCoCo_1236968,ZINC22_20452237,PC-id_28955504,EMOLS-id_20475985	443.465	NZPYEOOXAXUGRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135041
O=C(NCCc1nnc2n1CCCCC2)c1ccccc1Nc1cccc(C(F)(F)F)c1	MCULE-6630090592,GD-id_ZINC09221215,PC-id_16385254,CoCoCo_4472994,ZINC22_9221215,EMOLS-id_11854287	443.465	ROKXPLVIOQLKLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135042
CNC(=O)C1C=CC(=c2c(=C1)[nH]cc2C(=O)C(=O)N1CCN(CC1)C(=O)N1CCCC1)F	PC-id_142855886	443.471	XVPJZPJVXAUOTB-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-135043
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(F)c(OC)c2)CC3)o1	ZINC22_14989568,CoCoCo_1374342,CoCoCo_1374341,MCULE-1168899866,PC-id_26344177,EMOLS-id_20570727	443.471	OVBLJCMMNFUHJP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-135044
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cc(OC)ccc2F)CC3)o1	EMOLS-id_20442827,ChEMBL-DNDi_CHEMBL17864920,CoCoCo_1190495,MCULE-1461732696,ZINC22_14878864,CoCoCo_1190494,PC-id_26274624	443.471	YDBGHPWPUHIOEP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-135045
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC(C(=O)N1CCOCC1)C	EMOLS-id_25387080,MCULE-6299177088,PC-id_46049512	443.471	UORZEBJFAJQYOT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135046
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@H](C(=O)N1CCOCC1)C	PC-id_93332100	443.471	UORZEBJFAJQYOT-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135047
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@@H](C(=O)N1CCOCC1)C	PC-id_93332101	443.471	UORZEBJFAJQYOT-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135048
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)N2CCOCC2)cc1	PC-id_46049553	443.471	JWVOJRLXKYCRDA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135049
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)N2CCOCC2)C)cc1	PC-id_46049525	443.471	HLRPJZBQFCQBHY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135050
COc1ccc(cc1)[n+]1c(c(=O)o[nH]1)/C(=N/c1c(c2c(s1)CCCCC2)C(=O)OC)/[O-]	PC-id_136120516	443.473	IOZPUKIZTWBKCV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135051
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc([N+](=O)[O-])c(OC)cc1)C)C#N	PC-id_55416744	443.473	CGPQDWMZYMGXQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135052
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)COc1c([N+](=O)[O-])cccc1)C)C#N	PC-id_55417845	443.473	IDKXOLIBMKTQCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135053
c1(NC(=O)c2ccc(Cn3ncc(N(=O)=O)c3)o2)sc2c(CCCCCC2)c1C(=O)N	ZINC22_2767919,MCULE-7569509242,PC-id_19578163,EMOLS-id_4130224,TIMTEC421307	443.476	RDPIDMBSZNRSNG-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-135054
COc1cc(cc(c1OC)OC)c1n[nH]c(c1)C(=O)Nc1nc2c(s1)C(=O)NCCC2	PC-id_90625467	443.476	RWCKXLJPPVODNQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135055
c1(NC(=O)Cn2c(C)cc(C(F)(F)F)n2)sc2c(CCCCC2)c1C(=O)OCCC	EMOLS-id_4130248,ZINC22_8432578,CoCoCo_5820363,SPECS-id_AK-968/12716477,MCULE-2103361495,PC-id_4020875	443.483	HQNQZCDHFHENSE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-135056
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(c(c1C)C)C(=O)OCC	PC-id_19523659	443.483	WMFIHQNIZGOFSR-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135057
C/C=Nc1[nH]c2c(c1C)C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL17883485,PC-id_121447776	443.486	OXFVUTMPSFUMTJ-FEDGQQDLSA-N	00000000100000110110000000000010000000000000000000000000	31-01-135058
S(=O)(=O)(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1c(cccc1)C(F)(F)F	PC-id_46688914	443.486	KCNQDNAQBVPRPS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135059
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3F)F)CCn12	EMOLS-id_20506889,MCULE-5310168791,PC-id_45195098	443.49	KGTPHYMIAPHWCQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-135060
CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	CoCoCo_1281255,PC-id_29149660,CoCoCo_1281256,ZINC22_20774403	443.49	KGTPHYMIAPHWCQ-LJQANCHMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-135061
CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(F)cc1F)CC2	CoCoCo_1281258,ZINC22_20774406,CoCoCo_1281257,PC-id_29149661	443.49	KGTPHYMIAPHWCQ-IBGZPJMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-135062
O=C(NCc1nnc2n1CCCCC2)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	MCULE-1344425452,PC-id_41748535,ZINC22_10962355,CoCoCo_4480636,EMOLS-id_18836044	443.494	YQFAZAPZXWNLDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135063
S(=O)(=O)(Nc1c(C(=O)NCc2n3CCCCCc3nn2)cccc1)c1ccc(F)cc1	PC-id_24646623	443.494	DFBMZPGTHABONR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135064
O=c1n2CCCCCc2nn1CC(=O)N1CCN(CC1)C(=O)c1c(OC)cc(OC)cc1	PC-id_55906382	443.496	UFSUBDXRWNLUIJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135065
O=c1n2CCCCCc2nn1CC(=O)Nc1c(C(=O)N2CCCC2)cc(OC)c(OC)c1	PC-id_55639983	443.496	XTVHZPQDAGBVHW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135066
[P+](CCC1n2c(noc2=O)CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_18340012	443.497	VVRMZOSJGVRNCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135067
[P+](CC[C@@H]1n2c(noc2=O)CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_59924278	443.497	VVRMZOSJGVRNCC-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135068
C1(=O)N[C@H](CNc2cn(nc12)CCc1ccccc1)COC(=O)c1cn(c2c1cccc2)C	CHEMBL584106,PC-id_45486104	443.498	QFKXCBWWQQIGKD-GOSISDBHSA-N	00000000100000110101000001100010000000000000000000000000	31-01-135069
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cc4ccccc4n2C)CCC3)cc1	ZINC22_1565556664,EMOLS-id_313782416	443.498	YQHFIMYDODGLBU-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-135070
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2ccc4c(ccn4C)c2)CCC3)cc1	EMOLS-id_313783440,ZINC22_1565556588	443.498	WMVJZENYGGGPIN-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-135071
O=C1N(CCc2ccccc2)C(=O)c2c1cc(C(=O)NCc1n3CCCCCc3nn1)cc2	PC-id_60520627	443.498	OHUZBNOKZWAGCY-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-135072
O=C1N(C(=O)c2c1cc(C(=O)NCCc1n3CCCCCc3nn1)cc2)Cc1ccccc1	PC-id_55501231	443.498	SDEASMFBCPJCSM-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-135073
O(CC1NC(=O)c2nn(cc2NC1)CCc1ccccc1)C(=O)c1c2c(n(c1)C)cccc2	PC-id_75116424	443.498	QFKXCBWWQQIGKD-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-135074
C[C@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1nnc2n1CCCCC2	ZINC22_518627877	443.501	PDJDNZIVEIVKCK-HNNXBMFYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-135075
C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1nnc2n1CCCCC2	ZINC22_518627878	443.501	PDJDNZIVEIVKCK-OAHLLOKOSA-N	00000000100000110101000001000010000000000000000000000000	31-01-135076
O=C(c1cccc(c1)NC(=O)c1ccc2c(c1)[nH]cn2)NC(c1nnc2n1CCCCC2)C	PC-id_146124910	443.501	PDJDNZIVEIVKCK-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-135077
O=C(NCCc1n2CCCCCc2nn1)Nc1cc(ccc1)C(=O)Nc1cc(ccc1)C#N	PC-id_60488708	443.501	ZZQNPSQIIJHYHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135078
COc1cccc(CNC(=O)c2nc3CCN(Cc4ccc(F)c(F)c4)CCc3s2)c1	ZINC22_1204224670,EMOLS-id_313791288	443.509	QSGHNHNIQKKSRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135079
COc1ccc(CNC(=O)c2nc3CCN(Cc4ccc(F)c(F)c4)CCc3s2)cc1	ZINC22_1204225441,EMOLS-id_313791287	443.509	WYHCCFNENXVTOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135080
CCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1c(cccc2)OC	PC-id_10343365,CHEMBL348941	443.513	KJGDTIUIPAKSCA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-135081
S(c1ccc(Nc2c(C(=O)NCc3n4CCCCCc4nn3)cccc2)cc1)C(F)F	PC-id_60371595	443.513	UTGNKWXWVQIFFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135082
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(c1)C)c(OC)cccc2	PC-id_10411155	443.513	IJQHOJXYIXVORJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-135083
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(CCn12)C(=O)Cc1ccccc1F	PC-id_45180821,EMOLS-id_20444975,MCULE-3809514526	443.514	MPLXRBUJVYGQGB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135084
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)Cc1ccccc1F)CC2	ZINC22_14879462,CoCoCo_1193273	443.514	MPLXRBUJVYGQGB-DYESRHJHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135085
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)Cc1ccccc1F)CC2	ZINC22_14879463,CoCoCo_1193274	443.514	MPLXRBUJVYGQGB-UTKZUKDTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135086
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)Cc1ccccc1F)CC2	ZINC22_14879464,CoCoCo_1193272	443.514	MPLXRBUJVYGQGB-LAUBAEHRSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135087
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)Cc1ccccc1F)CC2	ZINC22_14879465,CoCoCo_1193271	443.514	MPLXRBUJVYGQGB-UWJYYQICSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135088
COc1ccc(CN2CCNC(=O)C2CC(=O)NCc2n[nH]c3CCCCCc23)c(F)c1	MCULE-4770676718,EMOLS-id_20527237,PC-id_45199678	443.514	CHMHJBBEOAPKGP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135089
COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2n[nH]c3c2CCCCC3)c(F)c1	CoCoCo_1310751,CoCoCo_1310749,ZINC22_12439774,CoCoCo_1310747,CoCoCo_1310753,PC-id_25279911	443.514	CHMHJBBEOAPKGP-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135090
COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2n[nH]c3c2CCCCC3)c(F)c1	ZINC22_12439775,CoCoCo_1310750,CoCoCo_1310748,CoCoCo_1310754,PC-id_25279913,CoCoCo_1310752	443.514	CHMHJBBEOAPKGP-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135091
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCCC(C)C)cc1	PC-id_42854953	443.514	AEPBVHXSBURZQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135092
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)N(CC)C)CC)cc1	PC-id_46049546	443.514	HIFYWMJKKZGQTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135093
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)NC(C)C)CC)cc1	PC-id_46049826	443.514	LYGAACCJGBUYNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135094
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)NCCC)CC)cc1	PC-id_46049829	443.514	FKCPVQVDUWWSAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135095
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NCCC(C)C)C)cc1	PC-id_42854943	443.514	BWSIYSJZYRFORB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135096
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCCC(C)C)C)cc1	PC-id_46159881	443.514	FHBVEAJIZMYNHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135097
Fc1cc(CNC(=O)C2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1C	PC-id_55724521	443.514	FKVDPEYSIHAHFR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135098
Fc1c(CCNC(=O)C2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_55779147	443.514	JGFLDKUMEGWZMH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135099
c1(NC(=O)C(=O)NN=Cc2ccccc2OC)sc2c(CCCCC2)c1C(=O)OCC	ChEMBL-DNDi_CHEMBL1470864,MCULE-5520141085,PC-id_2044305	443.516	XCGZEZWNAJIUTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135100
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2OC)sc2c1CCCCC2	EMOLS-id_26344392,PC-id_6891094,STOCK4S-56585	443.516	XCGZEZWNAJIUTN-YDZHTSKRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135101
CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)C(=O)N/N=C(C)/c1ccccc1O	PC-id_135679703	443.516	ZEMPUXHWRPMUMA-ZMOGYAJESA-N	00000000100000110100000000000010000000000000000000000000	31-01-135102
CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)C(=O)N/N=C(C)/c1ccc(cc1)O	PC-id_135722694	443.516	LEUDJGSAVFQWJD-ZMOGYAJESA-N	00000000100000110100000000000010000000000000000000000000	31-01-135103
CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1C	CoCoCo_2816435,PC-id_2080340,EMOLS-id_3245682,MCULE-8359116830,ZINC22_2618462,CHEMBL1326747	443.516	COTDXTBETLUWFX-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-135104
CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(=O)O)CCCCC3)/C(=O)N2	PC-id_60113713,SCHEMBL6694002	443.516	HARXFPJQZATURW-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-135105
OC1CCCN(C1)S(=O)(=O)c1ccc(cc1)CNC(=O)c1cc2c(o1)C=NC=CCC2	PC-id_145628814	443.516	GZHSCJRPZGGERY-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-135106
s1c2CCCCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1ccc([N+](=O)[O-])cc1	PC-id_45647895	443.516	LCXHVKWTKXNVNN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135107
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)OC)CC)C#N	PC-id_30208565	443.516	UZXBDLJKNIODNH-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-135108
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)OCC)C)C#N	PC-id_5171620	443.516	COCHKJLJTVKIIS-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-135109
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1occc1)C(C)C)C#N	PC-id_51581798	443.516	DBDOSUJNIKLRQL-IBGZPJMESA-N	00000000101000000100000000000010000000000000000000000000	31-01-135110
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@H](NC(=O)c1occc1)C(C)C)C#N	PC-id_51899181	443.516	DBDOSUJNIKLRQL-LJQANCHMSA-N	00000000101000000100000000000010000000000000000000000000	31-01-135111
s1c2CCCCCc2c(c1NC(=O)COC(=O)CN1C(=O)C2C(CCCC2)C1=O)C#N	PC-id_4546539	443.516	HFSNHTIVTHTRAA-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-135112
s1c2CCCCCc2c(c1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@@H](CCCC2)C1=O)C#N	PC-id_51609235	443.516	HFSNHTIVTHTRAA-HUUCEWRRSA-N	00000010100010000100000000000110000000000000000000000000	31-01-135113
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(NC(=O)c1occc1)C(C)C)C#N	PC-id_45623851	443.516	DBDOSUJNIKLRQL-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-135114
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN/C(=C
/C=CC(=O)C=C1)/C)C(=O)OCC	PC-id_6024458	443.516	UUYYGYMUUGPHKQ-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-135115
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC)cc1)C(=O)OCC	PC-id_19659745	443.516	QICYABGKZJFGPG-YDZHTSKRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135116
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC)cc1)C(=O)OCC	PC-id_73634224	443.516	QICYABGKZJFGPG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135117
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NNC(=C1C(=O)C=CC=C1)C)C(=O)OCC	PC-id_6845644	443.516	BVYZUZBRDLOWDD-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-135118
s1c2NC(=O)C(N(CCc3cc(OC)c(OC)cc3)C(=O)c2cc1)C(=O)NCC1CC1	PC-id_46868607	443.516	NFZXGTOKJVSXQR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-135119
S(=O)(=O)(NC)c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)O)C(=O)Nc2cc1	PC-id_72651806	443.516	HARXFPJQZATURW-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-135120
CNc1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)CCC(=O)N(C)C	PC-id_58256743,SCHEMBL1770791	443.519	IAOPMMMKEATUKP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135121
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)nc(c1C)c1cc(OC)c(OC)cc1	PC-id_56211448	443.519	BWFNBOGPQCVDQF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135122
[se]1c(c2SCC(Cc3ccccc3)(Cc3ccccc3)CSc2c1C)C	PC-id_59566412	443.527	BYOQJXKPJXSDMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135123
CC(C)c1ccc2-c(c(cc2CCCCNS(=O)(=O)c2ccc(F)cc2)C(=O)O)cc1	PC-id_10072108,CHEMBL167700,SCHEMBL9626647	443.531	NMFOFAKOZUXHEU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-135124
Fc1ccc(cc1)NS(=O)(=O)CCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	PC-id_139608177	443.531	FOAKGWYRBHUXQS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-135125
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1scc(n1)C(F)(F)F	PC-id_111688478	443.533	NKSAPZJJEUTQHR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-135126
CCCC(N1C(=O)c2c(C1=O)c(C)ccc2)c1cc(c2-c1ccc(cc2)C(C)C)C(=O)OC	SCHEMBL9627134,PC-id_67895248	443.534	ITHFQZYGPIUCAQ-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-135127
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCCN1C(=O)c2c(C1=O)c(C)ccc2	PC-id_139755196	443.534	GWOPYBLSANKXCP-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-135128
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CC[C@@H](CN1C(=O)c2c(C1=O)cccc2)C	PC-id_15020262,SCHEMBL9627132	443.534	FUTRWDSVPLXHEU-SFHVURJKSA-N	00000010100000100110000000001010000000000000000000000000	31-01-135129
O=C1N(CC(CCc2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)C)C(=O)c2c1cccc2	PC-id_72743188	443.534	FUTRWDSVPLXHEU-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-135130
O=C1N(CCCCCc2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)C(=O)c2c1cccc2	PC-id_10411161	443.534	SSSRJNOCWWKJHS-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-135131
O=C1N(CCCCCc2c3-c(c(c2)C(=O)OC)cc(C(C)C)ccc3)C(=O)c2c1cccc2	PC-id_10456090	443.534	LFSXPJSMZMWYCT-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-135132
O=C1N(CCCCCCCCc2c3-c(c(c2)C(=O)OC)ccccc3)C(=O)c2c1cccc2	PC-id_10252858	443.534	PSHGUNQUOXCKNA-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-135133
s1c2c(CCCCC2)c(c1NC(=O)C1CCCN(C1)C(=O)c1ccc(F)cc1)C(=O)N	PC-id_55461843	443.534	UOYBHFFJCBYAQU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-135134
S(=O)(=O)(N1CCN(CC1)Cn1nc2n(CCCCC2)c1=S)c1c(F)cccc1F	PC-id_34856747	443.534	PQDQQIMOEAUBTH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135135
s1c2c(CCCCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)Nc1ccc(OC)cc1	PC-id_74552142	443.536	XTJVOAPEFZXWPI-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-135136
s1c2c(CCCCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)Nc1cc(OC)ccc1	PC-id_74552138	443.536	UVNSXSUCGKIZBY-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-135137
s1c2c(CCCCC2)c(c1NC(=O)CC(CC(=O)[O-])C)C(=O)Nc1c(OC)cccc1	PC-id_74552140	443.536	ZUENVAVZPCJZIR-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-135138
s1c2c(CCCCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)Nc1ccc(OC)cc1	PC-id_28250530	443.536	XTJVOAPEFZXWPI-CQSZACIVSA-M	00000000100000110100000000000010000000000000000000000000	31-01-135139
s1c2c(CCCCC2)c(c1NC(=O)C[C@@H](CC(=O)[O-])C)C(=O)Nc1ccc(OC)cc1	PC-id_28250532	443.536	XTJVOAPEFZXWPI-AWEZNQCLSA-M	00000000100000110100000000000010000000000000000000000000	31-01-135140
s1c2c(CCCCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)Nc1cc(OC)ccc1	PC-id_28250510	443.536	UVNSXSUCGKIZBY-CQSZACIVSA-M	00000000100000110100000000000010000000000000000000000000	31-01-135141
s1c2c(CCCCC2)c(c1NC(=O)C[C@@H](CC(=O)[O-])C)C(=O)Nc1cc(OC)ccc1	PC-id_28250512	443.536	UVNSXSUCGKIZBY-AWEZNQCLSA-M	00000000100000110100000000000010000000000000000000000000	31-01-135142
s1c2c(CCCCC2)c(c1NC(=O)C[C@H](CC(=O)[O-])C)C(=O)Nc1c(OC)cccc1	PC-id_28250516	443.536	ZUENVAVZPCJZIR-CQSZACIVSA-M	00000000100000110100000000000010000000000000000000000000	31-01-135143
s1c2c(CCCCC2)c(c1NC(=O)C[C@@H](CC(=O)[O-])C)C(=O)Nc1c(OC)cccc1	PC-id_28250520	443.536	ZUENVAVZPCJZIR-AWEZNQCLSA-M	00000000100000110100000000000010000000000000000000000000	31-01-135144
CC(C)c1cc(nn1CC(=O)N1CCc2c(CC1)sc(n2)N)c1cc(c(cc1)F)OC	SCHEMBL15002014,PC-id_89607927	443.538	ZXLNTOVQDXTOQX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135145
CC[C@H](NC(=O)c1sc(c2ccc(OC)cc2F)nc1C)c1nnc2n1CCCCC2	ZINC22_503484366	443.538	CDGXTFRXPNRULC-KRWDZBQOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135146
CC[C@@H](NC(=O)c1sc(c2ccc(OC)cc2F)nc1C)c1nnc2n1CCCCC2	ZINC22_503484367	443.538	CDGXTFRXPNRULC-QGZVFWFLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135147
COc1ccc(c(c1)F)c1sc(c(n1)C)C(=O)NC(c1nnc2n1CCCCC2)CC	MCULE-3336940203,PC-id_138992395,EMOLS-id_320335059	443.538	CDGXTFRXPNRULC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135148
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccc(cc3O)OC)CCn12	EMOLS-id_20552999,PC-id_45205574,MCULE-7004834106	443.539	WHWZXGXYNLNGMK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135149
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3c(cccc3OC)OC)CCn12	PC-id_45176955,MCULE-1320099608,EMOLS-id_20428195	443.539	VHPBDAGICQWNBP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135150
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(c(OC)c3)OC)CCn12	EMOLS-id_20489887,MCULE-4817786187,PC-id_45191208	443.539	OZUPFMQBXVKHCC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135151
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3cccc(OCC)c3O)CCn12	EMOLS-id_20478611,PC-id_45188623,MCULE-5541632608	443.539	JOWCUKFEILWGAT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135152
CC1(C)CC(=O)C=C(C(=O)N2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)O1	PC-id_42419654,MCULE-9052847299,ZINC22_12126057,EMOLS-id_232782656	443.539	VIKCEZRROKQTED-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-135153
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)c1ccccc1)nn2)C	PC-id_134829011	443.539	OICZOOKHMJZOMC-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135154
CCn1nc2CCC(CCn2c1=O)C(=O)N1CCN(Cc2ccc(OC)cc2OC)CC1	EMOLS-id_207877038,MCULE-1958196931	443.539	YFWOIBSPYCNNMZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135155
CCOc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)c1O	CoCoCo_1240764,ZINC22_20453232,PC-id_28956190,CoCoCo_1240765	443.539	JOWCUKFEILWGAT-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135156
CCOc1cccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)c1O	CoCoCo_1240767,ZINC22_20453234,PC-id_28956191,CoCoCo_1240766	443.539	JOWCUKFEILWGAT-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135157
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1OC	CoCoCo_1256659,ZINC22_11997481,CoCoCo_1256658	443.539	OZUPFMQBXVKHCC-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135158
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1OC	ZINC22_11997479,CoCoCo_1256657,CoCoCo_1256656	443.539	OZUPFMQBXVKHCC-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135159
COc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c(O)c1	CoCoCo_1348000,CoCoCo_1347998,PC-id_98575940,ZINC22_104403173	443.539	WHWZXGXYNLNGMK-LAUBAEHRSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135160
COc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c(O)c1	CoCoCo_1348002,CoCoCo_1348004,ZINC22_104403176,PC-id_98575941	443.539	WHWZXGXYNLNGMK-UWJYYQICSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135161
COc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c(O)c1	PC-id_42482112,CoCoCo_1348001,CoCoCo_1347999,ZINC22_12244793	443.539	WHWZXGXYNLNGMK-DYESRHJHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135162
COc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c(O)c1	ZINC22_12244792,PC-id_42482110,CoCoCo_1348005,CoCoCo_1348003	443.539	WHWZXGXYNLNGMK-UTKZUKDTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135163
COc1cccc(OC)c1CN1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1	CoCoCo_1170086,PC-id_42168905,ZINC22_11788383,CoCoCo_1170085	443.539	VHPBDAGICQWNBP-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135164
COc1cccc(OC)c1CN1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1	PC-id_42168907,CoCoCo_1170087,ZINC22_11788384,CoCoCo_1170088	443.539	VHPBDAGICQWNBP-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135165
COc1cc(CC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc(OC)c1OC	MCULE-1350125237,ZINC22_22201039,PC-id_30102912,EMOLS-id_31363213	443.539	UKQPJQQIBWEWSP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135166
COCC(=O)NC(c1nnc2n1CCN(CC2)C/C=C/c1ccc(c(c1)OC)O)C(C)C	ChEMBL-DNDi_CHEMBL13551683,PC-id_56852318	443.539	UYARNZNCWZVKCW-AATRIKPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135167
N#C/C(=C
/SC=C(N1Cc1ccccc1)c1ccc(cc1)F)/c1nnc2n1CCCCC2	CoCoCo_3729267,PC-id_2314956	443.539	WGFKWFUDYUJDBH-DAFNUICNSA-N	00000011100000110101100000000010000000000000000000000000	31-01-135168
N#C/C(=C/1SC=C(N1Cc1ccccc1)c1ccc(cc1)F)/c1nnc2n1CCCCC2	CoCoCo_3729268,PC-id_2314957,GD-id_ZINC18168491	443.539	WGFKWFUDYUJDBH-NJNXFGOHSA-N	00000011100000110101100000000010000000000000000000000000	31-01-135169
N#CC(=C1SC=C(N1Cc1ccccc1)c1ccc(cc1)F)c1nnc2n1CCCCC2	MCULE-7874759342,PC-id_4128069	443.539	WGFKWFUDYUJDBH-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-135170
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccccc1	CHEBI:96194,PC-id_44485058	443.539	KNHKBBCFGVHHOP-LVCYWYKZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135171
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccccc1	CHEBI:96242,PC-id_44484516	443.539	KNHKBBCFGVHHOP-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135172
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccccc1	CHEBI:96479,PC-id_44486957	443.539	KNHKBBCFGVHHOP-BBTUJRGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135173
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccccc1	CHEBI:96972,PC-id_44485747	443.539	KNHKBBCFGVHHOP-LQWHRVPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135174
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccccc1	PC-id_44484517	443.539	KNHKBBCFGVHHOP-OPYAIIAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135175
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccccc1	PC-id_44486351	443.539	KNHKBBCFGVHHOP-WAOWUJCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135176
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccccc1	PC-id_44486352,CHEBI:95873	443.539	KNHKBBCFGVHHOP-UEXGIBASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135177
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccccc1	PC-id_44487410,CHEBI:95683,SCHEMBL17487102	443.539	KNHKBBCFGVHHOP-WFXMLNOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135178
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccccc1	CHEBI:113470,PC-id_44494934	443.539	XQMLHVPKHCFFAW-WAOWUJCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135179
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccccc1	PC-id_44492577	443.539	XQMLHVPKHCFFAW-OPYAIIAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135180
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccccc1	PC-id_44493066,CHEBI:113510	443.539	XQMLHVPKHCFFAW-UEXGIBASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135181
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccccc1	PC-id_44493067	443.539	XQMLHVPKHCFFAW-WFXMLNOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135182
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccccc1	PC-id_44493576	443.539	XQMLHVPKHCFFAW-BBTUJRGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135183
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccccc1	PC-id_44494072	443.539	XQMLHVPKHCFFAW-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135184
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccccc1	PC-id_44494073,CHEBI:113516	443.539	XQMLHVPKHCFFAW-LVCYWYKZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135185
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccccc1	PC-id_44495434,CHEBI:113305	443.539	XQMLHVPKHCFFAW-LQWHRVPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135186
O=c1n2CCCCCc2nn1CC(=O)Nc1c(CN(CC)C(=O)OC(C)(C)C)cccc1	PC-id_55972110	443.539	RYSQUHWOERFFFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135187
O=C(NC(c1n2CCN(CCc2nn1)CC=Cc1cc(OC)c(O)cc1)C(C)C)COC	PC-id_76428440	443.539	UYARNZNCWZVKCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135188
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(SCC(=O)N)cccc1)C#N	PC-id_27066317	443.539	LMWKUSDPGGVJDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135189
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1ccccc1)C(=O)OC	PC-id_4674623	443.539	DAJSGZAPZPPJDW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135190
c1(c2CCCCCCc2[nH]n1)C(=O)N1CCNC(=O)C1Cc1ccc(cc1)c1ccncc1	MCULE-7194734727,BDD-21882826,PC-id_110088325,EMOLS-id_154855	443.541	PFZVWZWXDULUEV-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-135191
c1(c2CCCCCCc2[nH]n1)C(=O)N1CCNC(=O)C1Cc1cccc(c2cccnc2)c1	BDD-21874210,EMOLS-id_154643,MCULE-7459920062,PC-id_110088277	443.541	XMZUEKFHEJQXOA-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-135192
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)N1CCN(CC1)c1ccccc1	PC-id_50798079,MCULE-3733851017,EMOLS-id_32846086	443.541	UQMCDVGDEMXTSO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135193
CC(CN1COOCc2c1cn(c2Nc1ccccc1)Cc1ccc(cc1)n1cccn1)C	PC-id_121258532,SCHEMBL17656450	443.541	DKJHFVAADSRNII-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135194
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cc3ccccc3o1)CC2	CoCoCo_1322350,ZINC22_20911272,CoCoCo_1322351	443.541	NDCZFCSYQIBNFF-LJQANCHMSA-N	00000000100000110101000001000010000000000000000000000000	31-01-135195
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cc3ccccc3o1)CC2	CoCoCo_1322352,ZINC22_20911276,CoCoCo_1322353	443.541	NDCZFCSYQIBNFF-IBGZPJMESA-N	00000000100000110101000001000010000000000000000000000000	31-01-135196
CCN1NCCCCCNc2c(C1=O)nc(n2Cc1ccc(cc1)O)C#Cc1ccccc1	PC-id_142218512	443.541	QGNOQAYCWJXPSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135197
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3cc4ccccc4o3)CCn12	EMOLS-id_20535335,MCULE-3487083211,PC-id_45201561,ChEMBL-DNDi_CHEMBL35172717	443.541	NDCZFCSYQIBNFF-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-135198
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O=C1NCCN(C(=O)c2n[nH]c3c2CCCCCC3)[C@@H]1Cc1cccc(c2cccnc2)c1	ZINC22_257330136	443.541	XMZUEKFHEJQXOA-HSZRJFAPSA-N	00000000100010111101100000000010000000000000000000000000	31-01-135201
O=C1NCCN(C(=O)c2n[nH]c3c2CCCCCC3)[C@H]1Cc1cccc(c2cccnc2)c1	ZINC22_257330137	443.541	XMZUEKFHEJQXOA-QHCPKHFHSA-N	00000000100010111101100000000010000000000000000000000000	31-01-135202
O=C(N1CCN(CC1)Cc1ccccc1)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46347961	443.541	OJZCGQAVZOQSSX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135203
COC(=O)c1c2c(CCCCC2)sc1NC(=O)CSc1n(c2ccccc2)nnn1	CoCoCo_3029276,SPECS-id_AF-399/40684433,MCULE-4605970367,PC-id_2384099,EMOLS-id_3065038,ZINC22_3267764	443.542	HAAXXNDDYAGXFW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135204
s1c2CCCCCc2nc1NC(=O)c1ccc(NC(=O)CSc2n(nnn2)C)cc1	PC-id_24611848	443.546	YIDRZRPZXUGMDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135205
CCN(CC(F)(F)F)CC1CCN(C1)C(=NC)NCCCc1nnc2n1CCCCC2	PC-id_112083361	443.553	SSQQYWOXIBUMKI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-135206
CN=C(NCCCc1nnc2n1CCCCC2)NCCC1CCN(CC1)CC(F)(F)F	PC-id_112084409	443.553	DIOMEOCIHXUMGM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-135207
c1(NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-1332439766,PC-id_3467082	443.556	ARWJSLLTOVPMTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135208
CCOC(=O)c1c(NC(=O)/C=Cc2ccc(c(c2)OC)OC)sc2c1CCCCCC2	CoCoCo_6810193	443.556	ARWJSLLTOVPMTA-OWBHPGMISA-N	00000000100000110100000000000010000000000000000000000000	31-01-135209
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1CCCCCC2	ZINC22_2082254,TIMTEC60818,PC-id_1741465,SPECS-id_AK-968/12096213,EMOLS-id_45936354,CoCoCo_6810192	443.556	ARWJSLLTOVPMTA-WYMLVPIESA-N	00000000100000110100000000000010000000000000000000000000	31-01-135210
COC(=O)c1c(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCCC2	PC-id_2412920,ZINC22_3297288,CoCoCo_3037100,EMOLS-id_43763074,MCULE-9441540991	443.556	VJDPLOILUMWKAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135211
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1cc(OC)c(OC)cc1)C(=O)OCCC	PC-id_3649259	443.556	POYLCIUQLLQJIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135212
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1cc(OC)c(OC)cc1)C(=O)OC(C)C	PC-id_4102951	443.556	AJESOBRDFVAFFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135213
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OC)cc1)C(=O)OCCC	PC-id_5885450	443.556	POYLCIUQLLQJIM-ACCUITESSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135214
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1cc(OC)c(OC)cc1)C(=O)OC(C)C	PC-id_6010549	443.556	AJESOBRDFVAFFV-ACCUITESSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135215
c1(c2CCCCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1ccccc1OC	MCULE-8266010959,PC-id_5100222,EMOLS-id_2785876,CoCoCo_6724297,TIMTEC417564,ZINC22_15946958	443.559	QZLBNHQMIMVICU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135216
c1(C(=O)N(CCC)CCC)c2CCCCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O	EMOLS-id_233024401,ZINC22_2904364,PC-id_2251767,MCULE-7343827260	443.559	STOBIQVFTCDNST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135217
c1(NC(=O)CCC(=O)Nc2ccc(cc2)CC(=O)OC(C)C)sc2c(CCCCC2)n1	MCULE-6252346383,EMOLS-id_335148290	443.559	OYFHESMKNRPCSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135218
c1(NC(=O)CCC(=O)Nc2ccc(cc2)C(=O)OC(C)CC)sc2c(CCCCC2)n1	EMOLS-id_335099692,MCULE-7112921843	443.559	WPNHPKXSELVXAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135219
c1(NC(=O)CCC(=O)Nc2ccc(cc2)C(=O)OCCCC)sc2c(CCCCC2)n1	EMOLS-id_335112980,MCULE-8437032303	443.559	GNZPWHBZTVQNRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135220
c1(NC(=O)CCC(=O)Nc2cccc(c2)C(=O)OCCCC)sc2c(CCCCC2)n1	EMOLS-id_335125528,MCULE-9069270777	443.559	OZUUHYPDVPEFHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135221
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c1(NC(=O)CCC(=O)Nc2ccc(cc2)C(=O)OCC(C)C)sc2c(CCCCC2)n1	MCULE-5767024916,EMOLS-id_335140112	443.559	JIDBRDIYPWSIQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135223
c1(NC(=O)CCC(=O)Nc2ccccc2C(=O)OCCCC)sc2c(CCCCC2)n1	MCULE-9204256460,EMOLS-id_335086885	443.559	VZOWBLSTDQZVLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135224
c1(NC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)OCC)sc2c(CCCCC2)n1	EMOLS-id_334794555,MCULE-4166837964	443.559	JEFBNYJGEIOADN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135225
c1(NC(=O)CCC(=O)NCc2ccc(cc2)C(=O)OC(C)C)sc2c(CCCCC2)n1	EMOLS-id_335119362,MCULE-2719527051	443.559	FNHNVXBWKJZXOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135226
c1(NC(=O)CCC(=O)NCc2ccc(cc2)C(=O)OCCC)sc2c(CCCCC2)n1	EMOLS-id_335133705,MCULE-9239284591	443.559	XTFFHYMLKNBEBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135227
c1(sc2c(CCCCC2)n1)NC(=O)C1CC(=O)N(CCc2ccc(c(OC)c2)OC)C1	EMOLS-id_323372698,MCULE-1069711745	443.559	KVBFZNRMGHZSHE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135228
CC(=C)C1C=CC(=Nc2n1c(C)nc2)C(=C)NCc1ccc(c(c1)CNC1=C(C(=C)C1)C)F	PC-id_143343754	443.559	UDJDIWNYKZJXAN-UHFFFAOYSA-N	00001100100000110111000000000010000000000000000000000000	31-01-135229
OCCCc1c(/C=C/2C(=O)Nc3c2cc(cc3)S(=O)(=O)N(C)C)[nH]c2c1CCCCC2	SCHEMBL6696871,PC-id_60113724	443.559	GPFDXNPGYWVTCK-RGEXLXHISA-N	00000010100000100100000000001010000000000000000000000000	31-01-135230
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1	PC-id_24503534	443.559	KTWNVHSQQFAJCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135231
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(O)cccc1)C(=O)OC	PC-id_2685295	443.559	NFWIMELXEVBHKD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135232
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C1CCN(C(=O)C2CC2)CC1)C)C#N	PC-id_55424230	443.559	LREXUEIUDOPFFQ-UHFFFAOYSA-N	00100000100010000100000000000010000000000000000000000000	31-01-135233
s1c2CCCCCc2nc1NC(=O)C1CCN(CC1)C(=O)c1cc(OC)cc(OC)c1	PC-id_55719197	443.559	JATFDDFXDPRKIM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135234
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1ccc(OC(C)C)cc1	PC-id_24553562	443.559	NMPJFWXUHRYERH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135235
S(=O)(=O)(N(C)C)c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCO)C(=O)Nc2cc1	PC-id_72651815	443.559	GPFDXNPGYWVTCK-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-135236
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccc(cc1)F)N1CCOCC1	PC-id_111312220	443.561	NMZJFJWEEKQPAG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135237
CN=C(NCC(c1ccc(cc1)F)N1CCOCC1)NCCc1nnc2n1CCCCC2	PC-id_111311736	443.561	BRWOCIUHJCQXKI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135238
N#CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408969859	443.561	VQVZPGSGOMSKAO-MTDXEUNCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135239
O=C(c1sc2c(c1)CCCCCC2)NNS(=O)(=O)c1ccc(cc1)S(=O)(=O)N	EMOLS-id_13569320,PC-id_22109135,MCULE-4891152844,GD-id_ZINC14245590,CoCoCo_4195430	443.561	QDGYFDJNDHVSAZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135240
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(C(=O)C=Cc3cccs3)CCn12	MCULE-1086025752,PC-id_75101749	443.562	DTEGLCQQIUKUJK-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-135241
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccccc3c3ccco3)CCn12	MCULE-9501012458,PC-id_45165989,EMOLS-id_20451289	443.562	GKBQCBHVPJENBP-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-135242
c1(N(=O)=O)c(C)nn(CC(=O)Nc2sc3c(CCCCCCCCCC3)c2C#N)c1C	PC-id_3565183,CoCoCo_6576857,ZINC22_2760723,MCULE-8632941172,SPECS-id_AK-968/41171968,TIMTEC547809,EMOLS-id_4130516	443.562	XIVTXNQMJZEHSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-135243
CCC[C@H]1C(=O)N(CC(=O)N[C@@H](C(=O)NCc2csc(n2)CN1)Cc1ccccc1)C	PC-id_134148301	443.562	FYSHYOQADDKZOD-ZWKOTPCHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135244
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)/C=C/c1cccs1)CC2	ZINC22_20256141,CoCoCo_1544118	443.562	DTEGLCQQIUKUJK-HKZGKQEBSA-N	00000010100100000101000000000010000000000000000000000000	31-01-135245
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)/C=C/c1cccs1)CC2	ZINC22_20256143,CoCoCo_1544121	443.562	DTEGLCQQIUKUJK-MGSHXDRLSA-N	00000010100100000101000000000010000000000000000000000000	31-01-135246
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)/C=C/c1cccs1)CC2	ZINC22_20256146,CoCoCo_1544116	443.562	DTEGLCQQIUKUJK-UUHFFZMRSA-N	00000010100100000101000000000010000000000000000000000000	31-01-135247
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)/C=C/c1cccs1)CC2	ZINC22_20256148,CoCoCo_1544114	443.562	DTEGLCQQIUKUJK-SCBMPYLRSA-N	00000010100100000101000000000010000000000000000000000000	31-01-135248
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccccc1c1ccco1)CC2	ZINC22_11995393	443.562	GKBQCBHVPJENBP-OAQYLSRUSA-N	00000000101000110101100000000010000000000000000000000000	31-01-135249
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccccc1c1ccco1)CC2	ZINC22_11995394	443.562	GKBQCBHVPJENBP-NRFANRHFSA-N	00000000101000110101100000000010000000000000000000000000	31-01-135250
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O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(ccc1)C)C	PC-id_44505042	443.582	JFBDPIUUNLHCPK-SXWKCWPCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135336
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C)C	PC-id_44505064,CHEBI:113348	443.582	WGPDLCVCGOLGPE-QTEQDKRBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135337
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(cccc1)C)C	PC-id_44505214,CHEBI:113526	443.582	UFUZIZHGCRPPRZ-TXTKFYIRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135338
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(cccc1)C)C	PC-id_44505225,CHEBI:96384	443.582	UFUZIZHGCRPPRZ-QTEQDKRBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135339
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(ccc1)C)C	PC-id_44505231,CHEBI:96743	443.582	JFBDPIUUNLHCPK-MZKRTTBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135340
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(cccc1)C)C	PC-id_44505470	443.582	UFUZIZHGCRPPRZ-MIZPHKNDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135341
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C)C	PC-id_44505500,CHEBI:96304	443.582	WGPDLCVCGOLGPE-MIZPHKNDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135342
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(ccc1)C)C	PC-id_44505643,CHEBI:96966	443.582	JFBDPIUUNLHCPK-ZRCGQRJVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135343
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(cccc1)C)C	PC-id_44505877	443.582	UFUZIZHGCRPPRZ-SXWKCWPCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135344
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C)C	PC-id_44505903	443.582	WGPDLCVCGOLGPE-VIZSFHNOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135345
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(ccc1)C)C	PC-id_44506068	443.582	JFBDPIUUNLHCPK-MIZPHKNDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135346
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(c(c(c2c1N)C)C)C)C(=O)OC	PC-id_24053371	443.582	DWUYZNQLTIZZOU-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-135347
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(cc(c2c1N)C)C)C(=O)OCC	PC-id_23801268	443.582	MLAZRTNPELAPJV-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-135348
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(C(C)C)ccc2c1N)C(=O)OC	PC-id_24025746	443.582	SWOGDUQWTKHUEH-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-135349
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(CCC)ccc2c1N)C(=O)OC	PC-id_24162237	443.582	GFTIMGLAZZSJQU-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-135350
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(cc(c1C#N)C)C)C(=O)OC	PC-id_23973450	443.582	YRZIZCRIJWYCPG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-135351
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(ccc1C#N)C)C(=O)OCC	PC-id_23861613	443.582	DWFJYNYFDMAIJD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-135352
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[nH]c2c(n1)cccc2)C(=O)OCC	PC-id_24138570	443.582	PUBWRMFNFDIHEA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135353
s1c2c(CCCCC2)c(c1NC(=O)CSc1nc(cc(c1C#N)C)C)C(=O)OCC	PC-id_23876172	443.582	WLJBBRRQYSBWKS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-135354
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[nH]c2c(n1)cccc2)C)C(=O)OCC	PC-id_23743262	443.582	LBMJEBPLRQCKBD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135355
s1c2c(CCCCC2)c(c1NC(=O)CSc1[nH]c2c(n1)ccc(c2)C)C(=O)OCC	PC-id_4463891	443.582	JAURPHQBVOIXCO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135356
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(ccc2c1N)C)C(=O)OCC	PC-id_23772050	443.582	UBDBMNCMUIAIDN-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-135358
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(ccc1C#N)C)C(=O)OC	PC-id_24111203	443.582	DSCSKVBJMPYHLA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-135359
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[nH]c2c(n1)cccc2)C(=O)OC	PC-id_23775436	443.582	MRJHEJWSGZKEDL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135360
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[nH]c2c(n1)cccc2)C)C(=O)OC	PC-id_23772402	443.582	OCVNSNDXMNNMST-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135361
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccc(cc1)C	PC-id_16827352	443.582	VHGFEFAAYKOAHD-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-135362
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccccc1	PC-id_16861576	443.582	HDBWSRUKWBCMJS-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-135363
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)c1c(cccc1)C#N	PC-id_27806893	443.582	SJWJQLWTCNSRKP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135364
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)c1ccc(cc1)C#N	PC-id_41502635	443.582	LEHCNAKIUXFKIM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135365
S(=O)(=O)(NCC(=O)NN=Cc1sccc1)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194722	443.582	HMFMIUOTPLHHDR-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-135366
Cc1ccccc1c1ccc(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1	MCULE-9954939242,EMOLS-id_20413636,ZINC22_19741424,PC-id_28310423,CoCoCo_1149967,CoCoCo_1149968	443.584	GYWYJPNYAROSCY-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-135367
C/C(=Cc1ccccc1)/CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1	PC-id_26323990,CoCoCo_1450099,CoCoCo_1450097,ZINC22_14963549	443.584	CHFPCCGUJJPDDB-KGAYOUTBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135368
C/C(=Cc1ccccc1)/CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1	ZINC22_14963545,CoCoCo_1450093,PC-id_26323986,CoCoCo_1450095	443.584	CHFPCCGUJJPDDB-SNJAAQEYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135369
C/C(=C/c1ccccc1)/CN1CCn2c(CC1)nnc2[C@H](NC(=O)CCc1ccccc1)C	CoCoCo_1450094,CoCoCo_1450092	443.584	CHFPCCGUJJPDDB-SUAFWNPMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135370
C/C(=C/c1ccccc1)/CN1CCn2c(CC1)nnc2[C@@H](NC(=O)CCc1ccccc1)C	CoCoCo_1450098,CoCoCo_1450096	443.584	CHFPCCGUJJPDDB-YQGRMNDNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135371
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(C/C(=C/c3ccccc3)/C)CCn12	EMOLS-id_26011383,PC-id_45221649,ChEMBL-DNDi_CHEMBL56409902	443.584	CHFPCCGUJJPDDB-XUTLUUPISA-N	00000000100000110101000000000010000000000000000000000000	31-01-135372
n12CCN(CCc1nnc2CCNC(=O)C1CCC1)CC(c1ccccc1)c1ccccc1	ChEMBL-DNDi_CHEMBL27367602,EMOLS-id_20497647,CoCoCo_1267834,PC-id_42372301,MCULE-3526982054,CoCoCo_1267835,ZINC22_12041369	443.584	FKBCOBATNOFANG-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-135373
n12CCN(CCc1nnc2C(C)NC(=O)CCc1ccccc1)CC(=Cc1ccccc1)C	MCULE-9370687650,PC-id_74496460	443.584	CHFPCCGUJJPDDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135374
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CC(c1ccccc1)c1ccccc1	PC-id_46691920	443.584	IQJPBXVRHOHTHP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135375
CSc1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1	EMOLS-id_20413310,CoCoCo_1149506,CoCoCo_1149507,ZINC22_19741329,PC-id_28310358,MCULE-4256741830	443.585	YRWKGCDYRXXRQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135376
O=S(=O)(c1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)cc1)N1CCCC1	MCULE-9695468482,EMOLS-id_3643760,CoCoCo_3890610,ZINC22_12568603,PC-id_16363622	443.585	MIJWWXRWICUERE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-135377
s1c2CCCCCCc2nc1NC(=O)c1sc(nc1C)c1c(c(nn(c1=O)C)C)C	PC-id_56121805	443.585	KSBVEIFNNGJLPJ-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-135378
s1c2CCCCCCc2nc1NC(=O)CSc1n(c2ccc(OC)cc2)c(nn1)C	PC-id_60572125	443.585	NJECTTFANHVBAC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135379
s1c2CCCCCCc2nc1NC(=O)CCn1c(n[nH]c1=S)c1ccc(OC)cc1	PC-id_56022619	443.586	SAEKVQBIPJPBNV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135380
CCCC(OC(=O)c1ccc(cc1)CC1(F)CCCCCc2c1nnn2C(C)(C)C)(C)C	SCHEMBL19737588	443.597	NGBAUBRQZRDGDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135381
c1(NC(=O)c2cccc(OCC)c2)sc2c(CCCCCCCCCC2)c1C(=O)OC	PC-id_4423357,EMOLS-id_4130570,TIMTEC585213,SPECS-id_AK-968/13779275,CoCoCo_5823886,MCULE-6638159673,ZINC22_2752449	443.599	YYNHSHGVQASPQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135382
c1(NC(=O)COc2ccccc2)sc2c(CCCCCCCCCC2)c1C(=O)OCC	EMOLS-id_4130566,CoCoCo_5828567,ZINC22_2089698,PC-id_1747158,SPECS-id_AK-968/15603828,TIMTEC251015,MCULE-9147744663	443.599	JVTUTSLBXPQEMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135383
c1(NC(=O)CCC(=O)Nc2ccc(cc2)OCCCCCC)sc2c(CCCCC2)n1	EMOLS-id_335114790,MCULE-9501601187	443.602	RGCKCYNEHFMEGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135384
s1c2CCCCCCCCCCc2nc1NC(=O)COc1cc(NC(=O)CC)ccc1	PC-id_30377216	443.602	CICQFRVGMNSQPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135385
s1c2CCCCCCc2c(c1NC(=O)CN(Cc1ccccc1)Cc1ccccc1)C#N	PC-id_22197456	443.604	YULCYKYMUIKUBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135386
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccc(cc3)SC)CCn12	MCULE-1204175663,EMOLS-id_20589571,PC-id_45214088	443.605	WALXNCFWODQORO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135387
CN(c1ccc(cc1)CN(C(=O)CSc1nnc2n1CCCCC2)CC1CCCO1)C	PC-id_17534756,EMOLS-id_16779842,MCULE-3891567470	443.605	NBYYKZRCKFCNFQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135388
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nnc3n2CCCCC3)cc1	PC-id_25391742,CoCoCo_4054308,ZINC22_12606081	443.605	NBYYKZRCKFCNFQ-FQEVSTJZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135389
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nnc3n2CCCCC3)cc1	ZINC22_12606082,PC-id_25391743,CoCoCo_4054309	443.605	NBYYKZRCKFCNFQ-HXUWFJFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135390
CSc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1	CoCoCo_1402749,CoCoCo_1402750,ZINC22_14998716	443.605	WALXNCFWODQORO-WIYYLYMNSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135391
CSc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1	ZINC22_14998713,CoCoCo_1402754,CoCoCo_1402753	443.605	WALXNCFWODQORO-NQIIRXRSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135392
CSc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1	ZINC22_257372079,CoCoCo_1402747,CoCoCo_1402748	443.605	WALXNCFWODQORO-GHTZIAJQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135393
CSc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1	ZINC22_257372080,CoCoCo_1402751,CoCoCo_1402752	443.605	WALXNCFWODQORO-RXVVDRJESA-N	00000010100000110101000000000010000000000000000000000000	31-01-135394
N#Cc1c(NC(=O)CCN2CCN(C(=O)N3CCCCC3)CC2)sc2c1CCCCC2	CoCoCo_4573359,EMOLS-id_13470106,PC-id_17563467,MCULE-4743654404,ZINC22_14135729	443.605	ULWSPKOYLYSCHQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-135395
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(SCc2ncsc2)cccc1	PC-id_43048859	443.605	QFHJHOQFYWSLJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135396
s1c2CCCCCc2c(c1NC(=O)CSc1sc2c(n1)ccc(OCC)c2)C#N	PC-id_23793337	443.605	LGWGMXNYCYNOSK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135397
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1cccs1	PC-id_3414371,ZINC22_13137266,CoCoCo_2800000,MCULE-8258895491,EMOLS-id_3434049	443.609	CDLLPCNGCCCAEU-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-135398
s1c2CCCCCc2c(c1NC(=O)CSc1nc2sc(c(c2c(n1)N)C)C)C#N	PC-id_46583759	443.609	OZSVFHFJKLBDTK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135399
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCc2sccc2)cnn1)C#N	PC-id_41820202	443.609	XCHXOQYSSSGGMC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135400
s1c2CCCCCc2c(c1NC(=O)C(Sc1nc([nH]n1)Cc1sccc1)C)C#N	PC-id_16607617	443.609	NGYHIVLCPIMPAH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135401
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)C)C#N	PC-id_19717586	443.609	JEKOTDXYRBMRAR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-135402
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(c(nn1)c1sccc1)C)C)C#N	PC-id_24559315	443.609	NFNSJQVBHORJFC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-135403
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)C)C#N	PC-id_20127483	443.609	JTCAAMFTJBELJH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135404
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1sccc1)C)C#N	PC-id_19725424	443.609	CJNGHFHJWISHST-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-135405
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(CCC3=C(CCCC3(C)C)C)CCn12	PC-id_45203171,MCULE-5671589061,EMOLS-id_20542357	443.625	ZHRZWKHLMZVDQX-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-135406
CC1=C(CCN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)C(C)(C)CCC1	PC-id_42440577,CoCoCo_1332568,CoCoCo_1332567,ZINC22_12165637	443.625	ZHRZWKHLMZVDQX-LJQANCHMSA-N	00000000100011000101000000000010000000000000000000000000	31-01-135407
CC1=C(CCN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)C(C)(C)CCC1	ZINC22_12165643,CoCoCo_1332570,PC-id_42440583,CoCoCo_1332569	443.625	ZHRZWKHLMZVDQX-IBGZPJMESA-N	00000000100011000101000000000010000000000000000000000000	31-01-135408
s1c2c(CCCCC2)c(c1NC(=O)CCN(CC1OCCC1)Cc1sccc1)C#N	PC-id_24467170	443.625	XNNNIDXXOCYKKD-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-135409
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccccc1)C(=O)OCC	PC-id_19654376	443.625	ONWXVIZYJLPDLS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135410
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccccc1)C(=O)OC	PC-id_19654221	443.625	OONYKPVXMXEGMH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135411
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccccc1)C(=O)OC	PC-id_19654371	443.625	NOEBPHPGYWBFBO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135412
s1c2c(CCCCC2)c(c1NC(=O)CSc1snc(SC)n1)C(=O)OCC	PC-id_5079192	443.627	GHTHAPVHCLIQCF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-135413
Cc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C1CCCCC1	CoCoCo_4177966,PC-id_41213804,ZINC22_9788865	443.629	JBBXAOFOEKGSQC-AWEZNQCLSA-N	00000000100010000101100000000010000000000000000000000000	31-01-135414
Cc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C1CCCCC1	PC-id_41213805,ZINC22_9788866,CoCoCo_4177967	443.629	JBBXAOFOEKGSQC-CQSZACIVSA-N	00000000100010000101100000000010000000000000000000000000	31-01-135415
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3nnc4n3CCCCC4)c2C#N)C1	CoCoCo_3082203,ZINC22_13109759,PC-id_25713660	443.629	VNYSKOCHYKUPBZ-CQSZACIVSA-N	00000000100010000101000000010010000000000000000000000000	31-01-135416
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nnc4n3CCCCC4)c2C#N)C1	CoCoCo_3082204,PC-id_25713661,ZINC22_13109760	443.629	VNYSKOCHYKUPBZ-AWEZNQCLSA-N	00000000100010000101000000010010000000000000000000000000	31-01-135417
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(C1)C(=O)C1CCCCC1	PC-id_109798952	443.629	AQYJAHBETAFCPV-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-135418
N#Cc1c(NC(=O)CSc2nnc3n2CCCCC3)sc2c1CCC(C2)C(C)(C)C	MCULE-9836668511,PC-id_16291581,EMOLS-id_11708771	443.629	VNYSKOCHYKUPBZ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-135419
N#Cc1c(NC(=O)C(Sc2nnc(n2C2CCCCC2)C)C)sc2c1CCCCC2	PC-id_16333082,EMOLS-id_11771631,MCULE-5683317278	443.629	JBBXAOFOEKGSQC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-135420
s1c2CCCCCc2c(c1NC(=O)C(Sc1nc([nH]n1)CCC1CCCC1)C)C#N	PC-id_24602452	443.629	OWZRTFVRPOLGCL-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-135421
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)CC)C#N	PC-id_17268632	443.629	HPFOSNMKQBEJHC-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-135422
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)C)C#N	PC-id_17270349	443.629	MDSUOVQNGIGINN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-135423
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC)C#N	PC-id_20125342	443.629	PQVBLQHYFCLNDX-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-135424
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)C)C#N	PC-id_20125551	443.629	ULICMTCJLJHXOD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-135425
C(c1c2-c(cc1)ccc(C(C)(C)C)cc2)(c1c2-c(cc1)ccc(C(C)(C)C)cc2)[C]1[CH][CH][CH][CH]1	PC-id_44607425	443.642	UGKKPHYXZHDZCG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-135426
CNCCC(Cc1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc(nc1OC)C)CC	PC-id_145222680	443.645	QVIPODKXAGFSKW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-135427
CN1/C(=C/C=C/C=C/C=C/C=C/c2sc3c([n+]2C)CC=CC=CC3)/Sc2c1cccc2	PC-id_143637558	443.647	WMPZLECOFRZHJW-UHFFFAOYSA-N	00000010100000100111000001000010000000000000000000000000	31-01-135428
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1cccs1)N1CCC(CC1)C	PC-id_111323430	443.652	XTWRTYPVIRNFBG-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-135429
CCNC(=NCC(c1cccs1)N1CCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111012101	443.652	NFPDXKZNKQPAQK-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-135430
CN=C(NCC1CCCN(C1c1cccs1)C)NCCCc1nnc2n1CCCCC2	PC-id_111666760	443.652	VEPFVUJWMHJFAC-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-135431
CN=C(NCC(c1cccs1)N1CCC(CC1)C)NCCc1nnc2n1CCCCC2	PC-id_111323222	443.652	YZZVKEJXRDTUHW-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-135432
CCNC(=NCC1(CCCCC1)N1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111292441	443.672	XCZCPRSNBAQQLP-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-135433
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)CC1CCCCC1	PC-id_112078343	443.672	QJLZVPMQSNQRMC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-135434
CN=C(N1CCN(CC1)C1CCC(CC1)C(C)C)NCCCc1nnc2n1CCCCC2	PC-id_109562980	443.672	HTJZPEHCIOAXGY-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-135435
c1(NC(=O)CCCOc2ccc(cc2Br)Cl)sc2c(CCCCC2)n1	EMOLS-id_334603385,MCULE-1116599842	443.786	PQNLJROFEHXNFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135436
c1(NC(=O)CCCOc2ccc(cc2Cl)Br)sc2c(CCCCC2)n1	EMOLS-id_334605432,MCULE-5406179165	443.786	VGSWVOKMAHILDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135437
ClC1=CC=CC=Cc2c1cn(n2)Cc1cnc(c(c1)C1CC=C=C=C1)OCC(F)(F)F	SCHEMBL19673454	443.849	RLEDKMJZQAPMBL-UHFFFAOYSA-N	00000000100011101111100000000010000000000000000000000000	31-01-135438
OC(C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)Cl)F)C)C1CC1	PC-id_140762660	443.877	WJLLTHFCUDKESN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-135439
OC([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)Cl)F)C)C1CC1	SCHEMBL18352873	443.877	WJLLTHFCUDKESN-JBZHPUCOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-135440
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	EMOLS-id_20631127,PC-id_45223978,MCULE-3045605907	443.883	IUJOJONQZIJUMV-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-135441
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	PC-id_42396945,CoCoCo_1464916,ZINC22_12077908,CoCoCo_1464915	443.883	IUJOJONQZIJUMV-CYBMUJFWSA-N	00000010101000100101000000001010000000000000000000000000	31-01-135442
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	ZINC22_12077910,PC-id_42396947,CoCoCo_1464917,CoCoCo_1464918	443.883	IUJOJONQZIJUMV-ZDUSSCGKSA-N	00000010101000100101000000001010000000000000000000000000	31-01-135443
Clc1cc2OCOc2cc1CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	EMOLS-id_20672939,PC-id_42398443,MCULE-2909062954,ZINC22_12079678	443.883	KFLMKTBMSVSTGW-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-135444
Clc1c(NC(C(C)C)C(=O)NCc2n3CCCCCc3nn2)ccc(c1)C(F)(F)F	PC-id_76855868	443.894	BJUKPVZBYLPELW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135445
Clc1c(N[C@@H](C(C)C)C(=O)NCc2n3CCCCCc3nn2)ccc(c1)C(F)(F)F	PC-id_60368152	443.894	BJUKPVZBYLPELW-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135446
c1(CN(c2ccc(c(Cl)c2)F)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	CoCoCo_6271541,EMOLS-id_10086702,ZINC22_27526604,MCULE-8493897545,PC-id_34883622	443.902	XZCVUJGGHOCZRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135447
c1(CN(c2ccc(c(Cl)c2)F)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	ChEMBL-DNDi_CHEMBLF2559-0394,PC-id_27370299,ZINC22_16838778,CoCoCo_2580286,MCULE-1866385311,EMOLS-id_10086700	443.902	CUMVJIKERGCACC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135448
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(F)c(Cl)c2)c1	CoCoCo_6602433,PC-id_16458877,ZINC22_28534641,MCULE-5151963503	443.902	JAQHZIOKHGRPHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135449
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)Nc2ncccc2)ccc(F)c1	PC-id_76317557	443.922	FDTDLFIMJOMDFL-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-135450
Clc1c(c([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)c1)C	EMOLS-id_16689753,MCULE-5272334311,CoCoCo_3948860,PC-id_25654899	443.925	VFUZTOUKSHSICH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135451
Clc1c([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)cc1	PC-id_24421455	443.925	ADWCDYFIITUNAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135452
c1(C(=O)NCCNC(=O)C2CC(=O)N(c3ccc(cc3)Cl)C2)c2CCCCCc2[nH]n1	MCULE-2392575216,EMOLS-id_323254202	443.927	UPVQXLFUACYLAX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-135453
Clc1cn2cc(nc2cc1)CN1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_56158890	443.93	FGJTWLKYWGYBNU-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-135454
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c(CCCCCC2)c1C(=O)N	TIMTEC116184,CoCoCo_5819867,EMOLS-id_4130738,PC-id_1222617,ZINC22_998329,MCULE-3759704731	443.946	DBIWNYDFUXHSHY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135455
Clc1c(c2oc(nc2)CCC(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_55494491	443.946	ITMARPQEWHOPOO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135456
Clc1ccc(c2oc(nc2)CCC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_55487420	443.946	JZAUVIZAZNYQML-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135457
Clc1ccc(c2oc(nc2)CCC(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_41512759,GD-id_ZINC10470198	443.946	YUPDMZUWIKNYCQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135458
CN1CCc2c(CC1)nc(s2)Nc1c(O)cc(cc1C(=O)Nc1ccc(cn1)C)Cl	PC-id_145508598	443.95	JMAMMPKOJGXESX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-135459
c1(cc2c(CCCCCCCCCC2)s1)C(=O)Nc1ccc(cc1C(F)(F)F)Cl	PC-id_17371618,TIMTEC380714,CoCoCo_6805992,EMOLS-id_4130754,ZINC22_19639565,MCULE-6504493887	443.953	PKJHWKHLMYIZHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135460
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCCCC1)c2)Cc1ccc(cc1)Cl	MCULE-6291398374,CoCoCo_2544639,EMOLS-id_16324818,PC-id_20964803	443.97	VENNYPOZBLNGQT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135461
Clc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCCN1CCCCCC1	PC-id_20964804,CoCoCo_2544640	443.97	HOJWIOXXSBFIRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135462
Clc1ccc(N2CCN(CC2)CCCCn2c3c(cc2)C(=NO)CCN(C3=O)C)cc1	PC-id_20085247	443.97	HGFDNKIOCLEHBH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135463
Clc1ccc(N2CCN(CC2)CCCCn2c3c(C(N=O)CCN(C3=O)C)cc2)cc1	PC-id_54115956	443.97	NKJCURMGGHLXDM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135464
Clc1ccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)/C=C/c2cccs2)cc1	EMOLS-id_313792060,ZINC22_2055785430	443.97	WYKMJPUWLYZVRI-BQYQJAHWSA-N	00000000100100110101000000000010000000000000000000000000	31-01-135465
Clc1cc(N2CCN(CC2)CCCCn2c3c(cc2)C(=NO)CCN(C3=O)C)ccc1	PC-id_20085235	443.97	FRAZILHZIGDLMW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135466
Clc1cc(N2CCN(CC2)CCCCn2c3c(cc2)/C(=N/O)/CCN(C3=O)C)ccc1	PC-id_44212569	443.97	FRAZILHZIGDLMW-NJNXFGOHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135467
Clc1cc(N2CCN(CC2)CCCCn2c3c(C(N=O)CCN(C3=O)C)cc2)ccc1	PC-id_54238513	443.97	QOHMWNNAYQRFBJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135468
O/N=C
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O/N=C
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Clc1ccc(c2[nH]nc(SCC(=O)Nc3sc4CCCCCc4c3C#N)n2)cc1	PC-id_35970881	443.973	WRMZFTIHVPOZFS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135471
Clc1cc(n2c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nnc2)ccc1	PC-id_24370044	443.973	CQHIACBQOASQKV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135472
CN=C(N1CCN(CC1)C(=O)Cc1cccc(c1)Cl)NCc1nnc2n1CCCCC2	PC-id_109545702	443.973	KIVCBMFXRWWBCB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135473
CN=C(N1CCN(C(=O)C1)Cc1ccc(cc1)Cl)NCCc1nnc2n1CCCCC2	PC-id_109500419	443.973	JKYLTLVGICLBKE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135474
Clc1c(c2oc(nn2)CN(C(C)C)C(=O)c2sc3CCCCCCc3c2)cccc1	PC-id_60383137	443.989	KWUUEIMLADCOJJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135475
Clc1ccc(N2CCN(CC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)nc1	PC-id_56144006	443.993	GFHYYBQROMNEDC-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-135476
Clc1ccc(N2CCN(CC2)C(C(=O)Nc2sc3c(CCCCC3)c2C#N)C)nc1	PC-id_56143995	443.993	QNEKXAIDYZUPMV-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-135477
CCCC(c1nnc2n1CC=CC=C2COc1ccccc1Cl)(CC(CCC)(O)C)C	PC-id_143371872	444.009	VEFQCHONCYGGPY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-135478
Clc1cc(N2CCN(CC2)CCCNC(=O)Cn2nc3CCCCCc3c2)c(cc1)C	MCULE-9444414878,CoCoCo_2192318,CoCoCo_2192317,PC-id_20892475,EMOLS-id_16087295	444.013	HIVGOCFQFXVFMF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135479
Clc1cc(N2CC[NH+](CC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1	PC-id_27156740	444.013	QOVIPFDGCDUXNS-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-135480
Clc1c(N2CC[NH+](CC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)cccc1	PC-id_27155497	444.013	OJRBIWDIRFXWIT-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-135481
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1ccccc1Cl	PC-id_111177746	444.016	OUTFHOZVBKHWON-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135482
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1cccc(c1)Cl	PC-id_111186679	444.016	GEGPVOMUUQOIBK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135483
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(C1)c1cccc(c1)Cl	PC-id_109462980	444.016	RLRIYPYDIDMLIX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-135484
CN=C(N1CCN(CC1)c1cc(Cl)ccc1C)NCCCc1nnc2n1CCCCC2	PC-id_111264375	444.016	LAKKDVAEAQJIPZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135485
CN=C(N1CCN(CC1)Cc1ccc(cc1)Cl)NCCCc1nnc2n1CCCCC2	PC-id_111325636	444.016	HNVSGHBFZQWDOG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135486
CN=C(N1CCN(CC1)Cc1cccc(c1)Cl)NCCCc1nnc2n1CCCCC2	PC-id_111357454	444.016	UPNCSIKJHOMDCJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135487
CN=C(NC1CCCN(C1)c1ccccc1Cl)NCCCc1nnc2n1CCCCC2	PC-id_112080419	444.016	PGNMGXKIGYBUTM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135488
CN=C(NCc1nnc2n1CCCCC2)NCC1CCCN(C1c1cccc(c1)Cl)C	PC-id_111637564	444.016	VXYLRSKIGHGKHT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135489
CN1C(=O)CN(C(=O)C2=C1N=C(N2CC3=CC=C(C=C3)F)OCC(F)(F)F)CCCO	PC-id_146992926	444.142	AQNZPBWDRRTJQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135491
CN([C@H]1CCC2=NN(C(=O)N2CC1)CC3CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F	PC-id_164639096	444.144	PDSSLRIQCPFXKL-AWEZNQCLSA-N	00100000100000110101000000000010000000000000000000000000	31-01-135492
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)NC(CO3)(C)C(CC=C)O)C#N	PC-id_161923330	444.147	RSMOXIBMQCOKRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135493
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)NC(CO3)C(C)(CC=C)O)C#N	PC-id_161923331	444.147	LBWGRBPUEKTGDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135494
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@](CO3)(C)[C@@H](CC=C)O)C#N	PC-id_160803610	444.147	RSMOXIBMQCOKRS-UTKZUKDTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135495
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@](CO3)(C)[C@H](CC=C)O)C#N	PC-id_160803611	444.147	RSMOXIBMQCOKRS-UWJYYQICSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135496
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@@](C)(CC=C)O)C#N	PC-id_161924824	444.147	LBWGRBPUEKTGDE-DYESRHJHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135497
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@](C)(CC=C)O)C#N	PC-id_161924825	444.147	LBWGRBPUEKTGDE-UTKZUKDTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135498
CC(C)C(C(=O)CC1CC2=NN=C(S2)CNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_160383557	444.147	QDEQPWYJGDMUEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135499
Cc1c(cc(cc1)S(=O)(=O)N1CCOCC1)CC(=O)c1c2CCCCC(=O)c2c([nH]1)C	PC-id_163753638	444.172	LSDYKVUINCKIMN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135500
CNC[C@@H]1CCC(CC2=C1C=CS2)CCC3=CC4=C(S3)CCCCCCC4CNC	PC-id_163972504	444.263	SRFLZLWHSTXDNI-CBNMVNINSA-N	00000000100000000100000000000010000000000000000000000000	31-01-135501
O=C1C(CCn2c(N1C)cc(n2)Br)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367277	444.285	JQHZNLQUJWLNQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135502
Ic1c(n(nc1)C)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N	CoCoCo_6578766,PC-id_4768933	444.291	GERGBBANQNIUKJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-135503
CC(C)C[C@@H](C=O)NC(=O)[C@@H]1CCCCCCCCCCCC(=O)C2=CC=C(N2)C(=O)C1	PC-id_162002936	444.299	JVYXDBULMOGDBR-RTWAWAEBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-135504
Ic1ccc(c(c1)F)Nc1sc2c(c1C)CC(CNC2=O)(C)C	SCHEMBL3978921,PC-id_68862668	444.305	QONHTLAHPOYUKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135505
Brc1c2sc(CSCCCCCCCCSC2)c1Br	PC-id_10789417	444.312	JGWXULPHWZXCAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-135506
CNC(=O)[C@@H](NC(=O)c1nc(n2c1CN(CCC2)C(=O)OC(C)(C)C)Br)C	PC-id_145538572	444.323	ZVGRNRGRDJQOOX-JTQLQIEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-135507
c1(CN(c2ccc(cc2)C)C(=O)Nc2ccc(c(Cl)c2)Cl)nnc2CCCCCn12	ZINC22_1050113,MCULE-6594113711,EMOLS-id_6784483,CoCoCo_6269186,PC-id_1242552	444.357	MWKNJOGEZNECEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135508
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2cc(ccc2)C(F)(F)F)cc1	PC-id_57034977	444.469	IMARWYXYDQYORU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135528
c1(CN(c2cccc(Cl)c2C)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	PC-id_24075279,ZINC22_22079394,CoCoCo_6269943,MCULE-3452128321,EMOLS-id_10084392	444.357	JPASFOKTNHFWIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135509
Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC22_28527496,CoCoCo_6600905,MCULE-2829425266,PC-id_16458653	444.357	QNDQIYJUVURKSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135510
Cc1c(Cl)cccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1cccc(Cl)c1	CoCoCo_6601020,PC-id_16458696,ZINC22_28527598,MCULE-5606510486	444.357	IFPSRIFYCMZTDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135511
Clc1c(NC(=O)N(Cc2n3CCCCCc3nn2)c2ccc(cc2)C)ccc(Cl)c1	PC-id_23880106	444.357	BHQRMCFOYWXUMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135512
Brc1c(C(=O)Nc2sc3CCCCCCc3n2)cc(S(=O)(=O)N)cc1	PC-id_56021215	444.366	QFTRLNFOPJTNEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135513
CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2nc3c(s2)CCCCC3)c1	ZINC22_21138736,EMOLS-id_17222302,CoCoCo_4639538,PC-id_24250812,MCULE-5718579878	444.366	DYCZBNMWRUPAJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135514
Cc1ccc(C(=O)C[n+]2nc(CNc3ccc(Cl)c(Cl)c3)n3c2CCCCC3)cc1	MCULE-2378846284,CoCoCo_6270641,PC-id_34883314,GD-id_ZINC27526021,ZINC22_27526021	444.377	GZACPYYLNHCLII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135515
Clc1cc(S(=O)(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc(Cl)c1	PC-id_46457725	444.379	HMQIBYJDLFGXIN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135516
O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2nnc3n2CCCCC3)CC1	ZINC22_14093563,CoCoCo_4490997,EMOLS-id_13454286,MCULE-6757503500,PC-id_17442661	444.379	FZRFETJAURJFRJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135517
Brc1ccc(c2c(NC(=O)c3sc4CCCCCc4c3)n(nc2C)C)cc1	PC-id_56573721	444.388	NFOYFIRIVHAADM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135518
B/C(=C/C1OC(=O)/C=CC=C(/C)CC(C)OC(=O)C[C@@H](C[C@@H](c2nc(C1)sc2)C)N)/C	SCHEMBL12845116	444.395	OCJXUGFYPKAUIR-ICIPEXCMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-135519
COC(=O)c1c(NC(=O)CSc2cc(Cl)ccc2Cl)sc2c1CCCCC2	CoCoCo_3135031,EMOLS-id_43789279,PC-id_4565590,MCULE-1014655032,ZINC22_13134160	444.395	KYIWMHWQABXQQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135520
Fc1cccc(NC(=O)c2cnn3CCCN(Cc23)C(=O)COc2cc(F)ccc2F)c1	EMOLS-id_313762250,ZINC22_1565555533	444.406	CGJLZOQPQIORIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135521
CCC1(CCNC(c2ccc(cc2)Br)O)N/C=C/C(C)C/C=C/n2c1ccc2	PC-id_144114503	444.408	GOQJMHLQNFCJTO-OLAUMKRVSA-N	00000000100000110111000000000010000000000000000000000000	31-01-135522
N#Cc1[n-]c2c(c1)C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1cccc(c1)C(F)(F)F	GD-id_ZINC45290896	444.426	DQCNGSFLRNKVFA-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-135523
O=C1[C@H](COc2c(N1C)cnn2C(C)C)NC(=O)c1ncn(c1)Cc1ccc(c(c1)F)F	SCHEMBL18366343	444.435	RNZRWFJPPZKZIA-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135524
N#CC(c1ccc(cc1)C(c1c(=O)oc2-c1ccccc2)c1c(=O)oc2-c1ccccc2)C#N	PC-id_101732211	444.438	CEYKZGLTWWEDEL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-135525
CC(=O)N1CCCc2c(C1)c(Nc1ccc(cc1)c1cccc(c1)OC(F)(F)F)nn2C	PC-id_145091628	444.45	SVVCNWDSHAKARW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135526
FC(F)(F)c1cc(Oc2cc(C(=O)NCCc3n4CCCCCc4nn3)ccc2)ccc1	PC-id_55534608	444.45	AFXOUTJJCBUAHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135527
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(cccc2)C(F)(F)F)cc1	PC-id_57271018	444.469	XCQRJNQIKMTDAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135529
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccccc1C(F)(F)F	MCULE-2509333214,EMOLS-id_97042086	444.471	PDSSLRIQCPFXKL-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-135530
CN(C1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F	MCULE-6179800655,EMOLS-id_97042048	444.471	NLNOKEZGUBMUKA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-135531
s1c2CCCCCCc2cc1C(=O)NNC(=O)CC(O)(c1n(ccn1)C)C(F)(F)F	PC-id_55515793	444.471	UYOAPBGSKIIEQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-135532
Fc1cc(C[NH+]2CCn3c(nnc3CCNC(=O)Cc3ccc(F)cc3)CC2)ccc1F	PC-id_42189287,GD-id_ZINC11813029	444.473	ICNIUMHYNXWPIZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-135533
Fc1cc(C[NH+]2CCn3c(nnc3CCNC(=O)Cc3ccc(F)cc3)CC2)cc(F)c1	PC-id_42430139	444.473	HOSWHKURGWUXDZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-135534
Fc1c(C[NH+]2CCn3c(nnc3CCNC(=O)Cc3ccc(F)cc3)CC2)c(F)ccc1	PC-id_42164413	444.473	AACUJDKFRSBAAU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-135535
FC(F)(F)c1cc(C[NH+]2CCn3c(nnc3CNC(=O)Cc3ccccc3)CC2)ccc1	PC-id_42236190,GD-id_ZINC11868426	444.473	NZPYEOOXAXUGRK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-135536
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)O)O	SCHEMBL9338990,PC-id_19102871	444.479	IFANPPYXEMGAEG-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-135537
O=C(c1n(C)cc2c1OC[C@@H](NS2(=O)=O)Cc1cccnc1)Nc1ccc(c(c1)C)F	SCHEMBL18353369	444.479	IDPWBQHRIIAMIL-INIZCTEOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-135538
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)Cc1cccnc1)Nc1ccc(c(c1)C)F	PC-id_140762644	444.479	IDPWBQHRIIAMIL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-135539
s1c2c(CCCCC2)c(c1NC(=O)c1[n+]([nH]oc1=O)c1ccc(OC)cc1)C(=O)OC	PC-id_53289729	444.481	IOZPUKIZTWBKCV-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-135540
O(c1c(OC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1)C(=O)c1ccc(OC)cc1	PC-id_4816133	444.482	PCSKEMWFIKJAKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135541
O(Cn1c2c(nc1NC=O)C=CN(C(=O)/C/2=C/c1ccc(OC)cc1)C)Cc1ccccc1	PC-id_25215570	444.482	HOSZFQYTNLJISV-KGENOOAVSA-N	00000000100000110111000000000010000000000000000000000000	31-01-135542
O(Cn1c2c(nc1NC=O)C=CN(C(=O)C2=Cc1ccc(OC)cc1)C)Cc1ccccc1	PC-id_74432260	444.482	HOSZFQYTNLJISV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-135543
O=C(c1cc(c2-c1ccccc2)C(=O)Nc1cccc2c1[nH]cc2)Nc1cccc2c1[nH]cc2	PC-id_101456051	444.484	STSFPCJPUBPXLF-UHFFFAOYSA-N	00000010100000100110000001100010000000000000000000000000	31-01-135544
COc1ccc(cc1)CN(c1ncnc2c(/c/1=N/C)ncn2Cc1ccc(cc1)OC)C=O	SCHEMBL19072704	444.486	QNTDYOMBIJXMSN-DAFNUICNSA-N	00000000100000110111000000000010000000000000000000000000	31-01-135545
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2c(C)nc4ccccn24)CCC3)cc1	ZINC22_1565556395,EMOLS-id_313762504	444.486	GKESSMHZBFNATL-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-135546
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2nc4ccccn4c2C)CCC3)cc1	ZINC22_1565556264,EMOLS-id_313765831	444.486	AMOOICNRAIGCOS-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-135547
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(OC(F)(F)F)cc1)C(=O)OC	PC-id_19680342	444.491	RFYZRJNACHQPFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135548
O=C(c1n(C)cc2c1CCC(NS2=O)(C)Cc1cccnc1)Nc1ccc(c(c1)F)F	SCHEMBL21337346,PC-id_139471348	444.497	PDFPPYAWEHPJPR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-135549
Fc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)ccc(F)c1	PC-id_42273778	444.498	KGTPHYMIAPHWCQ-LJQANCHMSA-O	00000000101000110101000000000010000000000000000000000000	31-01-135550
Fc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)ccc(F)c1	PC-id_42273779	444.498	KGTPHYMIAPHWCQ-IBGZPJMESA-O	00000000101000110101000000000010000000000000000000000000	31-01-135551
Fc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)ccc(F)c1	PC-id_74786882	444.498	KGTPHYMIAPHWCQ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-135552
COc1cc(OC)c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC	ZINC22_3320849,PC-id_2436485,CoCoCo_2962363,EMOLS-id_3101769,MCULE-5767732747	444.501	UMFRZVSFJQVTIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135553
s1c2CCCCCc2cc1C(=O)OCc1oc(nn1)c1cc(OC)c(OC)c(OC)c1	PC-id_45647893	444.501	KHFRNTXIHABVTB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135554
s1c2c(CCCCC2)c(c1NC(=O)Cc1cc2OCOc2cc1)C(=O)NC(=O)OCC	PC-id_41108223	444.501	FKCGCAHEMAQRHM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-135555
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1)C#N	PC-id_4358986	444.501	WJPXBZKKBNRFLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135556
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(OC)c(OC)c(OC)cc1)C#N	PC-id_45686604	444.501	IWWJIUYBVQNHPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135557
Cc1ccc(cc1)S(=O)(=O)NC=C(c1ccc2-c1ccccc2)c1ccc(cc1)[N+](=O)[O-]	PC-id_142734100	444.502	ARITVEJXHJYKJF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-135558
Cc1ccc(cc1)S(=O)(=O)N/C=C(/c1ccc(cc1)[N+](=O)[O-])c1c2-c(ccccc2)cc1	PC-id_134950661	444.502	ARITVEJXHJYKJF-UQQQWYQISA-N	00000010100000110110000000000010000000000000000000000000	31-01-135559
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCCN(C)C)cc1	PC-id_46049547	444.502	AXZVHXWLDJBUJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135560
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCCN(C)C)C)cc1	PC-id_46049507	444.502	ZNHGWEGOGSEWIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135561
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NCCN(C)C)C)cc1	PC-id_46049519	444.502	ZCORWKGVZKXIIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135562
Fc1ccc(N2CCN(CC2)C(=O)CCNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_78902396	444.502	GWFJZGXWSKUNDQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135563
Fc1cc(NC(=O)NCC2CCCN(C2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56503551	444.502	GKZQEKGJUZVPJR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135564
c1(NC(=O)c2ccc(c(N(=O)=O)c2)N2CCOCC2)sc2c(CCCCC2)c1C(=O)N	ZINC22_8997268,STOCK6S-08764,CoCoCo_559129,PC-id_2976709,EMOLS-id_2509305,MCULE-5986219266	444.504	BWMCRTJMEQZZSZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135565
NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc2c1CCCCC2	PC-id_22781698,ZINC22_19640838	444.504	BZLXFGXAQCJQBA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135566
O=C(NC(C(=O)NC1Cc2cnc(s2)CNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110155,PC-id_138730997	444.504	MXILBRUDUYRURR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135567
O=C(NC(C(=O)NC1Cc2cnsc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730502,SCHEMBL21109657	444.504	QVDPYPCDSVBIPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135568
O=C(NC(C(=O)NC1Cc2ncc(s2)CNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109224,PC-id_138730073	444.504	JAILCCPSNMHHFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135569
O=C(NC(C(=O)NC1Cc2scnc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730711,SCHEMBL21109868	444.504	KOEIFHUQTPQBOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135570
O=C(NC(C(=O)NC1Cc2sncc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138729951,SCHEMBL21109099	444.504	BICZNKVBHYLUII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135571
s1c2CCCCCCc2c(c1NC(=O)CSC1=NC(=O)C(=NC(=O)C)C(=N1)[O-])C#N	PC-id_75651691	444.507	IHFPAPMISMEGFE-UHFFFAOYSA-M	00000000100011000101000000000010000000000000000000000000	31-01-135572
COC1C=CCc2c(C1CCC(O)(C)C)[nH]nc2C(=O)c1cc(OC)c(c(c1)OC)OC	PC-id_143234525	444.521	WXCBPUVNRCBJJU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-135573
Fc1c(C[NH+]2C(CC(=O)NCc3n[nH]c4c3CCCCC4)C(=O)NCC2)ccc(OC)c1	PC-id_74414947	444.522	CHMHJBBEOAPKGP-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-135574
Fc1c(C[NH+]2[C@@H](CC(=O)NCc3n[nH]c4c3CCCCC4)C(=O)NCC2)ccc(OC)c1	PC-id_25279910	444.522	CHMHJBBEOAPKGP-NRFANRHFSA-O	00000000100010110101000000000010000000000000000000000000	31-01-135575
Fc1c(C[NH+]2[C@H](CC(=O)NCc3n[nH]c4c3CCCCC4)C(=O)NCC2)ccc(OC)c1	PC-id_25279912	444.522	CHMHJBBEOAPKGP-OAQYLSRUSA-O	00000000100010110101000000000010000000000000000000000000	31-01-135576
O=COC[n+]1c(/C=C/C=C/c2cc(c3-c2ccccc3)C(=O)OCC)sc2c1cccc2	PC-id_58445118,SCHEMBL12311488	444.522	YKCTULKWMCAZBI-BEAOHLNISA-N	00000010100000100111000001000010000000000000000000000000	31-01-135577
s1c([n+](c2c1cccc2)COC=O)C=CC=Cc1c2-c(c(c1)C(=O)OCC)ccccc2	PC-id_76788084	444.522	YKCTULKWMCAZBI-UHFFFAOYSA-N	00000010100000100111000001000010000000000000000000000000	31-01-135578
OC(c1ccc(/N=N/c2c3-c(c(OC)c2)ccccc3)cc1)(c1ccccc1)c1ccccc1	PC-id_10575294	444.524	DVNPMBZLYVHITE-QNEJGDQOSA-N	00000010100000110110000000000010000000000000000000000000	31-01-135579
s1c2c(CCCCC2)c(c1NC(=O)c1sc(NC(=O)c2occc2)cc1)C(=O)OC	PC-id_52638627	444.524	LHMARLFBWMPABS-UHFFFAOYSA-N	00000000101100000100000000000010000000000000000000000000	31-01-135580
C=C/C=C/1C(=NCC=C1C(c1ccc(c(c1)OC)OCc1nc2c([nH]1)CC=CC=C2)OC)N	PC-id_143713105	444.526	FHUUNGGHQDAOLR-UWVJOHFNSA-N	00000000100011110111000000000010000000000000000000000000	31-01-135581
O(Cn1c2C(=Cc3cc(c(OC)c(c3)C)C)C(=O)N(C=Cc2nc1N)C)Cc1ccccc1	PC-id_49836852	444.526	SDKPGFPXHCXCIT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-135582
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccncc1	PC-id_75036152	444.527	NSEOCVGIAYKUAZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135583
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccncc1	PC-id_75036150	444.527	IGJDKOMBBXSAPT-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135584
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccncc1	CHEBI:96734,PC-id_44505747	444.527	NSEOCVGIAYKUAZ-SQGPQFPESA-N	00000000100000101101000000000010000000000000000000000000	31-01-135585
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccncc1	CHEBI:96986,PC-id_44505978	444.527	NSEOCVGIAYKUAZ-UWVAXJGDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135586
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccncc1	PC-id_44504973,CHEBI:96310	444.527	NSEOCVGIAYKUAZ-FUHIMQAGSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135587
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccncc1	PC-id_44504975,CHEBI:112552	444.527	NSEOCVGIAYKUAZ-HLIPFELVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135588
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccncc1	PC-id_44504979,CHEBI:96133	444.527	NSEOCVGIAYKUAZ-MBOZVWFJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135589
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccncc1	PC-id_44505974,CHEBI:97023	444.527	NSEOCVGIAYKUAZ-ABSDTBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135590
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccncc1	PC-id_44505983,CHEBI:95610	444.527	NSEOCVGIAYKUAZ-QKLQHJQFSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135591
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1ccncc1	SCHEMBL17487105,PC-id_44505976,CHEBI:96653	444.527	NSEOCVGIAYKUAZ-ZWOKBUDYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135592
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccncc1	CHEBI:112464,PC-id_44498137	444.527	IGJDKOMBBXSAPT-UWVAXJGDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135593
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccncc1	CHEBI:112520,PC-id_44504970	444.527	IGJDKOMBBXSAPT-HLIPFELVSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135594
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccncc1	CHEBI:112526,PC-id_44504976	444.527	IGJDKOMBBXSAPT-QKLQHJQFSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135595
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccncc1	CHEBI:112595,PC-id_44505979	444.527	IGJDKOMBBXSAPT-FUHIMQAGSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135596
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccncc1	CHEBI:112648,PC-id_44504978	444.527	IGJDKOMBBXSAPT-ABSDTBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135597
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccncc1	PC-id_44504972,CHEBI:112482	444.527	IGJDKOMBBXSAPT-MBOZVWFJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135598
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccncc1	PC-id_44505386,CHEBI:112640	444.527	IGJDKOMBBXSAPT-SQGPQFPESA-N	00000000100000101101000000000010000000000000000000000000	31-01-135599
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1ccncc1	PC-id_44505973,CHEBI:97028	444.527	IGJDKOMBBXSAPT-ZWOKBUDYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135600
CN(Cc1nnc2n1CCCCC2)C(=O)Cn1c(COc2ccccc2)nc2ccccc12	PC-id_25341982,MCULE-1776418896,CoCoCo_4594992,ZINC22_12535602,EMOLS-id_24110334	444.529	IFINSCCSYJDLHW-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-135601
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cc4ccccc4[nH]3)CCn12	ZINC22_12157366,MCULE-1757611944,PC-id_42435249,CoCoCo_1325755,CoCoCo_1325756,ChEMBL-DNDi_CHEMBL35687830,EMOLS-id_20537679	444.529	ZFWQQLCMPJEFNI-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-135602
COCCNCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1C#N	PC-id_134810929	444.529	KBVUUNQSVKDAKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135603
n12CCN(CCc1nnc2CCNC(=O)COc1ccccc1)Cc1cc2c(cccc2)[nH]1	ZINC22_12338183,PC-id_42544574,CoCoCo_1559779,MCULE-3593203831,CoCoCo_1559780,EMOLS-id_20692915	444.529	FPJBRDGHMNCPMH-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-135604
O(c1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1)Cc1nc2n(c1)cc(cc2)C	PC-id_52612896	444.529	XZAIAOHZVSWHAZ-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-135605
O(Cc1nc2n(c1)cccc2C)c1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55534725	444.529	GVACEWLBKLLFMT-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-135606
O=C(Cn1c(C)cnc(c1=O)NCCc1ccccc1)NCC1=Cn2ccnc2CC(=C1)C	PC-id_141972804	444.529	KBLYSOVFOXTUIN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-135607
O=C(NCc1n2CCN(CCc2nn1)Cc1ccc(cc1)C#CC(O)(C)C)c1ncccc1	PC-id_28139157	444.529	PJQNWVKJZNTLOI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-135608
O=C(NCCc1n2CCCCCc2nn1)Nc1c(COc2ccc(cc2)CC#N)cccc1	PC-id_60491159	444.529	VTPLELCUZGNZLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135609
s1c2CCCCCCc2nc1NC(=O)c1cc([N+](=O)[O-])c(Sc2n(C)cnn2)cc1	PC-id_56035857	444.531	KTESCNOWZMBOHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135610
s1c2CCCCCc2cc1C(=O)OCc1nc(sc1)N(c1c(F)cccc1)C(=O)C	PC-id_45647892	444.542	BHRGWVRPPUCKDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135611
c1(c2CCCCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)Nc1ccccc1OC	EMOLS-id_4131363,MCULE-1178662699,PC-id_17377013,TIMTEC604515	444.544	ZUENVAVZPCJZIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135612
c1(c2CCCCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)Nc1cccc(OC)c1	PC-id_17377018,MCULE-6187764300,TIMTEC489332,EMOLS-id_4131361	444.544	UVNSXSUCGKIZBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135613
c1(c2CCCCCc2sc1NC(=O)CC(C)CC(=O)O)C(=O)Nc1ccc(OC)cc1	TIMTEC557172,MCULE-1786950783,PC-id_17377004,EMOLS-id_4131367	444.544	XTJVOAPEFZXWPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135614
COc1ccccc1NC(=O)c1c(NC(=O)C[C@H](C)CC(=O)O)sc2c1CCCCC2	CoCoCo_6831795,PC-id_28250521,ZINC22_19641308	444.544	ZUENVAVZPCJZIR-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135615
COc1ccccc1NC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)O)sc2c1CCCCC2	ZINC22_19641303,PC-id_28250517,CoCoCo_6831796	444.544	ZUENVAVZPCJZIR-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135616
COc1cccc(NC(=O)c2c(NC(=O)C[C@H](C)CC(=O)O)sc3c2CCCCC3)c1	CoCoCo_6831799,PC-id_28250513,ZINC22_19641298	444.544	UVNSXSUCGKIZBY-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135617
COc1cccc(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)O)sc3c2CCCCC3)c1	ZINC22_19641294,PC-id_28250511,CoCoCo_6831800	444.544	UVNSXSUCGKIZBY-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135618
COc1ccc(NC(=O)c2c(NC(=O)C[C@H](C)CC(=O)O)sc3c2CCCCC3)cc1	PC-id_28250533,ZINC22_19641332,CoCoCo_6832079	444.544	XTJVOAPEFZXWPI-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135619
COc1ccc(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)O)sc3c2CCCCC3)cc1	ZINC22_19641328,CoCoCo_6832080,PC-id_28250531	444.544	XTJVOAPEFZXWPI-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135620
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCOc1c(OC)cc(cc1)C(=O)C	PC-id_46490923	444.544	AFQFYAGUCJFWNP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135621
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(OCC)cc1)C(=O)NC(=O)OCC	PC-id_41565471	444.544	NOWUAECRUNLMJF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135622
s1c2c(CCCCC2)c(c1NC(=O)CC(NC(=O)C)c1ccc(OC)cc1)C(=O)OC	PC-id_55698045	444.544	LHBJBELDFXWMMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135623
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(N)cc1)CC)C(=O)OCC	PC-id_24110185	444.544	TXKCTVRIKMNRIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135624
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc(N)ccc1)CC)C(=O)OCC	PC-id_23972370	444.544	FAMQSFZRKLREMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135625
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCC(=O)Nc1cc(ccc1OC)C	PC-id_45655421	444.544	BRRZMAYMDILGLG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135626
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cccnc1)CC)C(=O)OCC	PC-id_23916380	444.544	OCJNPOJBEYTQMU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-135627
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(N)cc1)CC)C(=O)OC	PC-id_23745126	444.544	HXLFTWYGUAVEKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135628
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(N)cc1)C)C(=O)OCC	PC-id_23773999	444.544	PEGLFILBPYLZHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135629
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccncc1)CC)C(=O)OCC	PC-id_24164318	444.544	XSRQQCMMCHWGLF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-135630
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc(N)ccc1)CC)C(=O)OC	PC-id_24083136	444.544	YYYHSXLLJVIKFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135631
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc(N)ccc1)C)C(=O)OCC	PC-id_23888097	444.544	JUQIMTRKRRCJPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135632
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(Cc2ccccc2)cccc1)C#N	PC-id_16528057	444.545	VZCOZPZERNYLST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135633
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1n(c2ccc(F)cc2)c(=S)[nH]c1	PC-id_24553566	444.545	LPGSWIONVXVQRL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135634
CN1CCN(CCCNC(=O)C2CCCCc3nn(Cc4cccc(F)c4)c(=O)n23)CC1	EMOLS-id_207869556,MCULE-4174897042	444.546	XRBQUBHXVUNBOH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135635
Fc1cc(c(N2CCN(CC2)CC)cc1)C(NC(=O)Cn1nc2n(CCCCC2)c1=O)C	PC-id_56315291	444.546	KNDPEXKSJMGIST-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135636
Fc1c(N2CC(OC(C2)C)C)ccc(c1)CNC(=O)NCCc1n2CCCCCc2nn1	PC-id_55921819	444.546	AXLTUDKQVVYPOS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135637
OC1CCN(CC1)c1ccc(cc1C(NC(=O)NCCc1nnc2n1CCCCC2)C)F	PC-id_86899182	444.546	XKKQTKKKEDBBRV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135638
O1CCC(CC1)C(=O)NC(c1n2CC[NH+](CCc2nn1)Cc1c(OC)cccc1OC)C	PC-id_74780706	444.547	VHPBDAGICQWNBP-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-135639
O1CCC(CC1)C(=O)NC(c1n2CC[NH+](CCc2nn1)Cc1c(O)c(OCC)ccc1)C	PC-id_74784685	444.547	JOWCUKFEILWGAT-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-135640
O1CCC(CC1)C(=O)N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cccc1OC)C	PC-id_42168904	444.547	VHPBDAGICQWNBP-MRXNPFEDSA-O	00000000100010110101000000000010000000000000000000000000	31-01-135641
O1CCC(CC1)C(=O)N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cccc1OC)C	PC-id_42168906	444.547	VHPBDAGICQWNBP-INIZCTEOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-135642
O1CCC(CC1)C(=O)N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(O)c(OCC)ccc1)C	PC-id_42237814	444.547	JOWCUKFEILWGAT-MRXNPFEDSA-O	00000000100010110101000000000010000000000000000000000000	31-01-135643
O1CCC(CC1)C(=O)N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(O)c(OCC)ccc1)C	PC-id_42237815	444.547	JOWCUKFEILWGAT-INIZCTEOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-135644
O1CC(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2c(O)cc(OC)cc2)C(C)C)CC1	PC-id_74807283	444.547	WHWZXGXYNLNGMK-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-135645
O1C[C@H](C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2c(O)cc(OC)cc2)C(C)C)CC1	PC-id_42482109	444.547	WHWZXGXYNLNGMK-UTKZUKDTSA-O	00000010100000110101000000000010000000000000000000000000	31-01-135646
O1C[C@H](C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2c(O)cc(OC)cc2)C(C)C)CC1	PC-id_42482111	444.547	WHWZXGXYNLNGMK-DYESRHJHSA-O	00000010100000110101000000000010000000000000000000000000	31-01-135647
O=C(NC(C(=O)NC1Cc2cnc(s2)CCNCC1=O)C(C)C)OCc1ccccc1	SCHEMBL21109864,PC-id_138730707	444.547	TUCCBTADIGDQTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135648
s1c2c(CCCCC2)c(c1NC(=O)C1ON=C(C1)c1c(nn(c1)CC)C)C(=O)OCC	PC-id_19495909	444.547	OHESYEFLSGOYRR-UHFFFAOYSA-N	00000011100000000101100000000010000000000000000000000000	31-01-135649
CCCCC(C(=O)NCc1nnc2n1CCCCC2)N=C1c2ccccc2S(=O)(=O)N1	PC-id_136190288	444.55	XHDNCEHVPPLYJF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-135650
CC(C)[C@@H](C(=O)NCCc1nnc2n1CCCCC2)N=C1c2ccccc2S(=O)(=O)N1	PC-id_136039574	444.55	FEUHYULJOUHYOO-IBGZPJMESA-N	00000010100000100101000000001010000000000000000000000000	31-01-135651
CC[C@H](C)[C@@H](C(=O)NCc1nnc2n1CCCCC2)N=C1c2ccccc2S(=O)(=O)N1	PC-id_136039446	444.55	DHHFHFWOBOODOV-LIRRHRJNSA-N	00000010100000100101000000001010000000000000000000000000	31-01-135652
S1(=O)(=O)N=C(NC(C(CC)C)C(=O)NCc2n3CCCCCc3nn2)c2c1cccc2	PC-id_76276788	444.55	DHHFHFWOBOODOV-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-135653
S1(=O)(=O)N=C(NC(C(C)C)C(=O)NCCc2n3CCCCCc3nn2)c2c1cccc2	PC-id_76277371	444.55	FEUHYULJOUHYOO-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-135654
S(C(C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)C)c1ccc([N+](=O)[O-])cc1	PC-id_46534019	444.55	UQVRWBHHESIQBY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135655
O=C(c1ccccc1)NCc1nnc2n1CCN(CC2)Cc1scc(n1)c1ccccc1	PC-id_28735420,CoCoCo_1210529,CoCoCo_1210530	444.552	QDCPKRCKHQNWAH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135656
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)[O-])C3=C(C)C)sc2c1CCCCC2	PC-id_40737330,GD-id_ZINC08454477	444.564	WLTDVBVMEOWHQV-SFUIVIKGSA-M	00000010100010000100000000000110000000000000000000000000	31-01-135657
s1c(NC(=O)C2C3C(=C(C)C)C(C2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)OCC	PC-id_74712928	444.564	WLTDVBVMEOWHQV-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-135658
s1c(NC(=O)[C@H]2[C@@H]3C(=C(C)C)[C@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)OCC	PC-id_40737332	444.564	WLTDVBVMEOWHQV-QXGSTGNESA-M	00000010100010000100000000000110000000000000000000000000	31-01-135659
s1c(NC(=O)[C@H]2[C@@H]3C(=C(C)C)[C@H]([C@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)OCC	PC-id_51377766	444.564	WLTDVBVMEOWHQV-QGWWYQLQSA-M	00000010100010000100000000000110000000000000000000000000	31-01-135660
Cn1ccc2c1C(CCN(S2)CCCN1CCC(CC1)C(=O)c1ccc(cc1)F)N=O	PC-id_91083655	444.565	LMLLXXFWYNSQAQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135661
Cn1ccc2c1C(=O)N(CCC2=NO)CCCN1CCC(CC1)Sc1ccc(cc1)F	PC-id_88072526	444.565	CSXBWTPOPUHITP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-135662
O/N=C
/CCN(C(=O)c2c1ccn2C)CCCN1CCC(CC1)Sc1ccc(cc1)F	SCHEMBL6994383	444.565	CSXBWTPOPUHITP-DAFNUICNSA-N	00000000100010110100000000000010000000000000000000000000	31-01-135663
S1N(CCCN2CCC(CC2)C(=O)c2ccc(F)cc2)CCC(=NO)c2n(ccc12)C	PC-id_58648716	444.565	ZFGAIERSYSEASA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135664
Cc1ccc(cc1)S(=O)(=O)N1CCCc2c(C1)ccn2S(=O)(=O)c1ccc(cc1)C	PC-id_101783358	444.567	GNZYZXHOCKGTBE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135665
O=c1n2CCCCCc2nn1CC(=O)N(CCC)Cc1cc(OCC)c(OCCC)cc1	PC-id_55560810	444.567	QSNWHTFEQDXXTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135666
s1c2c(CCCCC2)c(c1NC(=O)CCSc1oc2c(n1)cccc2)C(=O)OCC	PC-id_23917527	444.567	MMTNQTDWOZLVFK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135667
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(O)cccc1)C(=O)OC	PC-id_2685294	444.567	NFWIMELXEVBHKD-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-135668
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCC(=O)c1c(sc(c1)C)C)C#N	PC-id_45660710	444.567	BMXUBKCCXFQLPN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-135669
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1oc2c(n1)cccc2)C)C(=O)OCC	PC-id_23824824	444.567	HIGCWCRZTKXEJW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135670
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1oc2c(n1)cccc2)C(=O)OC	PC-id_24056700	444.567	HLKKSSJVHUAOIT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135671
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1oc2c(n1)cccc2)C)C(=O)OC	PC-id_23830384	444.567	NWIXHCKMAPQUAW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135672
s1c2c(CCCCCC2)c(c1NC(=O)CSc1oc2c(n1)cccc2)C(=O)OCC	PC-id_3273237	444.567	YNSWKXDJGNVPJU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135673
c1(c2CCCCCCc2[nH]n1)C(=O)N1CCOC(c2cccc(Cc3ccccc3C)n2)C1	BDF-25251637,MCULE-9181493475,EMOLS-id_262725	444.569	TZHDWSVFRIBQOE-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-135674
Cc1ccccc1Cc1cccc([C@H]2CN(C(=O)c3n[nH]c4c3CCCCCC4)CCO2)n1	ZINC22_257309042	444.569	TZHDWSVFRIBQOE-RUZDIDTESA-N	00000000100010111101100000000010000000000000000000000000	31-01-135675
Cc1ccccc1Cc1cccc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCCCC4)CCO2)n1	ZINC22_257309043	444.569	TZHDWSVFRIBQOE-VWLOTQADSA-N	00000000100010111101100000000010000000000000000000000000	31-01-135676
Cc1c([nH]c2c1C(=O)N(CCC2)CCN1CCCCC1)C=C1c2c(ccc(c2)C=C)NC1=O	PC-id_89099149	444.569	NTOWECCMRTVUDD-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-135677
C=Cc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCCC1)/C(=O)N2	SCHEMBL13480256	444.569	NTOWECCMRTVUDD-FXBPSFAMSA-N	00000010100010100100000000001010000000000000000000000000	31-01-135678
CC(C)c1ccc(cc1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CC1CC1	PC-id_134805618	444.569	CROXVXNXCKPXQY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-135679
COc1cccc(Cc2ccc(C3CCN(C(=O)c4[nH]nc5c4CCCCC5)CC3)nc2)c1	BDE-25664947,MCULE-7912459137,PC-id_92616708,ZINC22_19690540	444.569	SFIQRVCHNXEMMB-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-135680
c1(NC(=O)CCSc2nnc3ccccn23)sc2c(CCCCC2)c1C(=O)OCC	PC-id_1307871,ZINC22_1133221,MCULE-8396687892,EMOLS-id_2211701,CoCoCo_929343	444.57	SCHWNUNAWURHKU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135681
CCC(CC)N1CCN(CC1)C(=O)C1CCc2nn(Cc3c(C)noc3C)c(=O)n2CC1	EMOLS-id_207876794,MCULE-5941413858	444.57	APOYXANFOXRLDS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-135682
CC([C@H](c1nnc2n1CC[N@H+](CC2)Cc1ccccc1c1ccco1)NS(=O)(=O)C)C	GD-id_ZINC11995393	444.57	GKBQCBHVPJENBP-OAQYLSRUSA-O	00000000101000110101100000000010000000000000000000000000	31-01-135683
CCNC(=NCc1cc(OC)c(c(c1)OC)OC)NCCCc1nnc2n1CCCCC2	PC-id_111376844	444.57	ISKVLPUKDVVYHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135684
CCOc1cccc(c1O)C[N@H+]1CCc2n(CC1)c(nn2)CNC(=O)[C@H]1CCC[N@H+](C1)C	GD-id_ZINC11872620	444.57	WZQLUTUQSBDCSX-SFHVURJKSA-P	00000000100010110101000000000010000000000000000000000000	31-01-135685
N#Cc1c(NC(=O)[C@H]([NH+]2CCN(CC2)C(=O)C(=O)NC2CC2)C)sc2c1CCCCC2	PC-id_40174248,GD-id_ZINC32935699	444.57	NOGUQKIBIJZNSY-CQSZACIVSA-O	00100000100010000101000000000010000000000000000000000000	31-01-135686
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCc2c1ccc(S(=O)(=O)N)c2)C#N	PC-id_52541201	444.57	DXXQUYHQIWROAC-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-135687
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)C(=O)C(=O)NC1CC1)C)C#N	PC-id_40174251	444.57	NOGUQKIBIJZNSY-AWEZNQCLSA-O	00100000100010000101000000000010000000000000000000000000	31-01-135688
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCN(CC1)C(=O)C(=O)NC1CC1)C)C#N	PC-id_74677197	444.57	NOGUQKIBIJZNSY-UHFFFAOYSA-O	00100000100010000101000000000010000000000000000000000000	31-01-135689
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CSc1nc(cc(n1)C)C)C)C#N	PC-id_55418992	444.57	KSCDMZVUWWSLLH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-135690
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCCc1onc(n1)c1sccc1	PC-id_40393495	444.57	RILSJPZFYCLZSE-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-135691
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cn1c(=O)c2c(c(sc2nc1)C)C	PC-id_24531710	444.57	UIGLMJRPDKWQJM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135692
c1(c2CCCCCCc2[nH]n1)C(=O)N1CCCC(C1)c1cc(cc(C)n1)Nc1ccccn1	EMOLS-id_198069,PC-id_110264999,MCULE-7096286221,BDE-26211674	444.572	OCFDFHZXWJAACN-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-135693
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(CC(=Cc3ccccc3)C)CCn12	PC-id_75098889,MCULE-2075548066	444.572	QXAMPUZGJJTYOK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-135694
c1(C(C)NC(=O)C2CC2)nnc2CCN(Cc3ccc(cc3)N(C)c3ccccc3)CCn12	EMOLS-id_20451873,ChEMBL-DNDi_CHEMBL19271820,PC-id_45182401,MCULE-3975384645	444.572	DSLCARDMFCIFDQ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-135695
c1(C(=O)N2CCC(CC2)c2cc(cc(C)n2)Nc2cccc(C)n2)c2CCCCCc2n[nH]1	EMOLS-id_171583284,MCULE-7858763621,ZINC22_257327511,PC-id_110093164,BDE-25467253	444.572	XBPSEZVGZBDDBO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-135696
c1(C(=O)N2CCC(CC2)c2ccc(cn2)Nc2cccc(C)n2)c2CCCCCCc2[nH]n1	PC-id_95834242,MCULE-7318352054,EMOLS-id_195857,BDE-25689375,ZINC22_72374302	444.572	HUEYIYUFHFWKLI-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-135697
Cc1cc(cc(n1)C1CCCN(C1)C(=O)c1[nH]nc2c1CCCCC2)Nc1ncccc1C	PC-id_110264978,EMOLS-id_198027,BDE-26210523,MCULE-9265781753	444.572	WFXDWAHBCRFRME-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-135698
Cc1cc(Nc2ccccn2)cc(C2CCN(C(=O)c3n[nH]c4c3CCCCCC4)CC2)n1	MCULE-8346224990,BDE-25468697,ZINC22_257232265,PC-id_110093197	444.572	GKBKUZBDHWRLQJ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-135699
Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCCCC4)C2)n1	PC-id_95834944,ZINC22_72375005	444.572	OCFDFHZXWJAACN-LJQANCHMSA-N	00000000100010101101100000000010000000000000000000000000	31-01-135700
Cc1cc(Nc2ccccn2)cc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCCCCC4)C2)n1	PC-id_95834945,ZINC22_72375006	444.572	OCFDFHZXWJAACN-IBGZPJMESA-N	00000000100010101101100000000010000000000000000000000000	31-01-135701
Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)c3[nH]nc4c3CCCCC4)C2)n1	PC-id_95834903,ZINC22_72374964	444.572	WFXDWAHBCRFRME-IBGZPJMESA-N	00000000100010101101100000000010000000000000000000000000	31-01-135702
Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)c3[nH]nc4c3CCCCC4)C2)n1	ZINC22_72374963,PC-id_95834902	444.572	WFXDWAHBCRFRME-LJQANCHMSA-N	00000000100010101101100000000010000000000000000000000000	31-01-135703
C/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1141656,CoCoCo_1141658	444.572	QXAMPUZGJJTYOK-CHAXEMQZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-135704
C/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)[C@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1141662,CoCoCo_1141660	444.572	QXAMPUZGJJTYOK-QLWWLHSCSA-N	00000000100000111101000000000010000000000000000000000000	31-01-135705
C/C(=Cc1ccccc1)/CN1CCc2nnc([C@H](NC(=O)c3ccccn3)C(C)C)n2CC1	CoCoCo_1141659,ZINC22_12055202,CoCoCo_1141657	444.572	QXAMPUZGJJTYOK-BKWQBPKISA-N	00000000100000111101000000000010000000000000000000000000	31-01-135706
C/C(=Cc1ccccc1)/CN1CCc2nnc([C@@H](NC(=O)c3ccccn3)C(C)C)n2CC1	CoCoCo_1141663,ZINC22_12055205,CoCoCo_1141661	444.572	QXAMPUZGJJTYOK-ARHOYUFESA-N	00000000100000111101000000000010000000000000000000000000	31-01-135707
CC(C)C(NC(=O)c1ccccn1)c1nnc2CCN(C/C(=C/c3ccccc3)/C)CCn12	EMOLS-id_44851271,PC-id_45172124	444.572	QXAMPUZGJJTYOK-LVZFUZTISA-N	00000000100000111101000000000010000000000000000000000000	31-01-135708
C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	CoCoCo_1202859,PC-id_26278036,ZINC22_14882250,CoCoCo_1202858	444.572	DSLCARDMFCIFDQ-IBGZPJMESA-N	00100000100000110101000000000010000000000000000000000000	31-01-135709
C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	PC-id_26278034,CoCoCo_1202857,ZINC22_14882249,CoCoCo_1202856	444.572	DSLCARDMFCIFDQ-LJQANCHMSA-N	00100000100000110101000000000010000000000000000000000000	31-01-135710
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1c(n2nc(SC)nc2nc1C)C	PC-id_24636471	444.574	IRSFCGJACKFLOG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135711
c1(c2CCCCCc2sc1NC(=O)C1CC=CCC1C(=O)O)C(=O)NC1CCCCC1	TIMTEC344864,EMOLS-id_4131497,PC-id_4501090,MCULE-5424744177	444.587	NWJSZRAEKDZUQV-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-135712
Cc1c(c2c(n1CC(=C)O)CCCCC2)Cc1ccccc1S(=O)(=O)N1CCOCC1	SCHEMBL15335328,PC-id_89861917	444.587	JTWWOCGMKCBNSF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135713
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_3138670,CoCoCo_3367156,MCULE-4309067508,PC-id_3928769,ZINC22_9539906	444.587	DIWBTSFEBBOEEB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135714
CN/C/1=CC(=O)O[C@@H](C)C/C(=C/C=CC(=O)OC(Cc2nc(CC1)cs2)C=C(C)C)/C	SCHEMBL13297214	444.587	QHRCTNHNYBWCGJ-AGGXURJFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-135715
O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_6796370,PC-id_28250701,ZINC22_19641779	444.587	NWJSZRAEKDZUQV-SJORKVTESA-N	00000000100011000100000000000010000000000000000000000000	31-01-135716
O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_6796371,ZINC22_19641765,PC-id_28250691	444.587	NWJSZRAEKDZUQV-DLBZAZTESA-N	00000000100011000100000000000010000000000000000000000000	31-01-135717
O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2	CoCoCo_6796372,PC-id_28250693,ZINC22_19641770	444.587	NWJSZRAEKDZUQV-IRXDYDNUSA-N	00000000100011000100000000000010000000000000000000000000	31-01-135718
O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2	PC-id_28250697,ZINC22_19641775,CoCoCo_6796373	444.587	NWJSZRAEKDZUQV-IAGOWNOFSA-N	00000000100011000100000000000010000000000000000000000000	31-01-135719
s1c2nc(CCC(=CC(=O)OC(CC(=CC=CC(=O)OC(C2)C=C(C)C)C)C)NC)c1	PC-id_72259763	444.587	QHRCTNHNYBWCGJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-135720
s1c2nc(CC/C(=C/C(=O)O[C@H](C/C(=C/C=CC(=O)OC(C2)C=C(C)C)/C)C)/NC)c1	PC-id_59343217	444.587	QHRCTNHNYBWCGJ-WJANZJMBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-135721
C=CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_409010674	444.588	DFDQJMNDYZJZDL-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135722
C=CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408969974	444.588	YBGQPSDUIALVSQ-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135723
COCc1ccc(o1)C(=O)N[C@@H](c1nnc2n1CC[N@H+](CC2)C/C=C/C(C)C)CC(C)C	GD-id_ZINC14883215,PC-id_26279201	444.59	ARQPRWHVKWWJIA-ROUKRRSUSA-O	00000000101000000101000000000010000000000000000000000000	31-01-135724
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COC)CC(C)C)CC2)c(c1)C)C)C	PC-id_42370189	444.59	XMCXPJUZBLEMJC-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-135725
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COC)CC(C)C)CC2)c(c1)C)C)C	PC-id_42370192	444.59	XMCXPJUZBLEMJC-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-135726
O(c1c(cc(C[NH+]2CCn3c(nnc3C(NC(=O)COC)CC(C)C)CC2)c(c1)C)C)C	PC-id_49829382	444.59	XMCXPJUZBLEMJC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-135727
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=CC(C)C)CC(C)C)c1oc(cc1)COC	PC-id_74494206	444.59	ARQPRWHVKWWJIA-UHFFFAOYSA-O	00000000101000000101000000000010000000000000000000000000	31-01-135728
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/C(C)C)CC(C)C)c1oc(cc1)COC	PC-id_26279199	444.59	ARQPRWHVKWWJIA-YJJPMGAVSA-O	00000000101000000101000000000010000000000000000000000000	31-01-135729
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC(CCC1)C(=O)N1CCOCC1)C#N	PC-id_78836398	444.59	WPXGEWPNBQRVOK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-135730
s1c2c(CCCCC2)c(c1NC(=O)C(N1CC(CCC1)C(=O)N1CCOCC1)C)C#N	PC-id_78836486	444.59	ZAZZLDJLNIKAJS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-135731
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)c1ccc(OC)cc1	PC-id_30377050	444.59	VMPXBSMHPQMPQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135732
O=C(NC(c1n2CC[NH+](CCc2nn1)CC(=Cc1ccccc1)C)C)CCc1ccccc1	PC-id_74496459	444.592	CHFPCCGUJJPDDB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-135733
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C1CCC1	PC-id_42407383	444.592	GYWYJPNYAROSCY-UHFFFAOYSA-O	00001000100000110101100000000010000000000000000000000000	31-01-135734
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C(=C/c1ccccc1)/C)C)CCc1ccccc1	PC-id_26323985	444.592	CHFPCCGUJJPDDB-SNJAAQEYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-135735
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C(=C/c1ccccc1)/C)C)CCc1ccccc1	PC-id_26323989	444.592	CHFPCCGUJJPDDB-KGAYOUTBSA-O	00000000100000110101000000000010000000000000000000000000	31-01-135736
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)C=Cc3cccs3)CCn12	MCULE-4318606160,PC-id_75100879	444.593	JASQSVVFVNYCFW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135737
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)/C=C/c1cccs1)CC2	CoCoCo_1431281,ZINC22_14953684	444.593	JASQSVVFVNYCFW-LKGOPFMKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135738
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)/C=C/c1cccs1)CC2	CoCoCo_1431284,ZINC22_14953687	444.593	JASQSVVFVNYCFW-DVBCCOPCSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135739
CC(C)CC(NC(=O)CN(C)C)c1nnc2CCN(CCn12)C(=O)/C=C/c1cccs1	EMOLS-id_44853351,ChEMBL-DNDi_CHEMBL53003096,PC-id_45218653	444.593	JASQSVVFVNYCFW-BQYQJAHWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135740
CC(C[C@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1cccs1)NC(=O)CN(C)C)C	CoCoCo_1431282	444.593	JASQSVVFVNYCFW-JTHGQSKGSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135741
CC(C[C@@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1cccs1)NC(=O)CN(C)C)C	CoCoCo_1431283	444.593	JASQSVVFVNYCFW-ZEVQVBBLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135742
C[C@@H](Sc1nc2sccc2c(=O)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_22641212,PC-id_30493671	444.593	AMIORNKYUSPEHH-LLVKDONJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135743
C[C@H](Sc1nc2sccc2c(=O)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_22641216,PC-id_30493673	444.593	AMIORNKYUSPEHH-NSHDSACASA-N	00000000100000100101000001000010000000000000000000000000	31-01-135744
N#Cc1c(NC(=O)C(Sc2nc3sccc3c(=O)n2C)C)sc2c1CCCCC2	PC-id_47011579,MCULE-7815137703,EMOLS-id_30669233	444.593	AMIORNKYUSPEHH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135745
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC)c(=O)c2sccc2n1)C#N	PC-id_46567822	444.593	DWIMUZIOXSUJSI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135746
C[C@@H](Sc1nnnn1Cc1cccs1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4236208,PC-id_25956387,ZINC22_14129338	444.597	BEKQUSRWQSNFLD-GFCCVEGCSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135747
C[C@H](Sc1nnnn1Cc1cccs1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4236209,PC-id_25956388,ZINC22_14129339	444.597	BEKQUSRWQSNFLD-LBPRGKRZSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135748
N#Cc1c(NC(=O)C(Sc2nnnn2Cc2cccs2)C)sc2c1CCCCC2	MCULE-5266964152,PC-id_16347646,EMOLS-id_11791759	444.597	BEKQUSRWQSNFLD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135749
s1c2CCCCCc2c(c1NC(=O)CCSc1n(nnn1)Cc1sccc1)C#N	PC-id_16296390	444.597	UJHONZGVNCCDHI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-135750
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(N)c(nn1)c1sccc1)C)C#N	PC-id_24497052	444.597	CERPOCNSNMEUQB-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-135751
S1C[C@H](OCOCCOC)[C@@H](OCOCCOC)CSc2sc(=O)sc12	PC-id_10789464	444.607	OJXMMVNTZSJYNI-RYUDHWBXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-135752
S1CC(OCOCCOC)C(OCOCCOC)CSc2sc(=O)sc12	PC-id_85268502	444.607	OJXMMVNTZSJYNI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-135753
O(C(=O)C1C(NCc2ccccc2)c2cc(n(c2)Cc2ccccc2)CCCCCCC1)C	PC-id_10551286	444.608	JLYDYNVWDHSFLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135754
O=C(c1sc2=CCCCC=c2c1C)NCc1ccc(cc1)S(=O)(=O)N1CCCCC1	PC-id_145628574	444.61	MXYDYHDMFXQWGX-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-135755
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OC	PC-id_23740015	444.61	FOFQKTFDSXIQRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135756
S(=O)(=O)(N1CCCCC1)c1cc2CCN(c2cc1)C(=O)c1sc2c(CCCCC2)c1	PC-id_55438519	444.61	KMENAYQQIDVQCZ-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-135757
COc1ccccc1N1CCN(CC1)Cc1cc(c2-c1ccccc2)CN1CCN(CC1)C	PC-id_71450707,BindingDB_PC-id_71450707	444.612	PLYQWXWXIUOYQJ-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-135758
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CCN(CC1)c1ccccn1	MCULE-1992035929,Chemmine_18588,CoCoCo_995429,ZINC22_16346393,EMOLS-id_2317789,PC-id_2955924,TIMTEC461599	444.613	SWQKVXRMOQNUFZ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-135759
CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=CCN1CCCCC1)C	PC-id_87208862,SCHEMBL1175563	444.613	KBJKAZPJNCIKBK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-135760
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)/C=C/CN1CCCCC1	PC-id_57635273,SCHEMBL1175558	444.613	KBJKAZPJNCIKBK-FKVRIVCVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-135761
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=CCN1CCCCC1	PC-id_66932249,SCHEMBL1175565	444.613	KBJKAZPJNCIKBK-OAQYLSRUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-135762
CSc1ccc(cc1)C[N@H+]1CCc2n(CC1)c(nn2)[C@H](C(C)C)NC(=O)[C@H]1COCC1	GD-id_ZINC14998713	444.613	WALXNCFWODQORO-NQIIRXRSSA-O	00000010100000110101000000000010000000000000000000000000	31-01-135763
s1c2CCCCCc2c(c1NC(=O)CCN(CC)CC(=O)NCc1sccc1)C#N	PC-id_24428040	444.613	LOMKLUJRLALGPE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-135764
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(c(n1)C)C)C#N	PC-id_46812756	444.613	GJEDROQGKIWOJD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-135765
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1ncccc1)C(=O)OC	PC-id_19655144	444.613	RNNPJMOOWUGTTD-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-135766
CCNC(=NCC(c1ccccc1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111357024	444.615	FEVCBTOQAXTVTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135767
CCNC(=NCC(c1ccccc1)Cc1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_109389556	444.615	LIXPOZXUJWNOJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135768
CCNC(=NCCC(c1ccccc1)c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_111233851	444.615	DBYRMPUBJFBNBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135769
CN=C(NCC(c1ccccc1)Cc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_109389280	444.615	ZXOSWGRZVPQZKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135770
CN=C(NCCC(c1ccccc1)c1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_111233877	444.615	YYQAMCNIZGFLLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135771
S(=O)(=O)(N1CCN(CC1)Cn1nc2n(CCCCC2)c1=S)N1CC(OC(C1)C)C	PC-id_43067137	444.615	ILOVZVRTFNGUAF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-135772
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)CC(=O)N1CCCC1	PC-id_111367099	444.617	CPUKPOCSYAKQKJ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-135773
CN=C(N1CCN(CC1)C(C(=O)N1CCCC1)C)NCCCc1nnc2n1CCCCC2	PC-id_109643891	444.617	GTDSPKNECIJOMN-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-135774
CN=C(N1CCN(CC1)CC(=O)N1CCCCC1)NCCCc1nnc2n1CCCCC2	PC-id_111419899	444.617	UOFLPLFUJKNACT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-135775
O1CCC(CC1)C(=O)NC(c1n2CC[NH+](CCC3=C(CCCC3(C)C)C)CCc2nn1)C	PC-id_74803681	444.633	ZHRZWKHLMZVDQX-UHFFFAOYSA-O	00000000100011000101000000000010000000000000000000000000	31-01-135776
O1CCC(CC1)C(=O)N[C@@H](c1n2CC[NH+](CCC3=C(CCCC3(C)C)C)CCc2nn1)C	PC-id_42440576,GD-id_ZINC12165637	444.633	ZHRZWKHLMZVDQX-LJQANCHMSA-O	00000000100011000101000000000010000000000000000000000000	31-01-135777
O1CCC(CC1)C(=O)N[C@H](c1n2CC[NH+](CCC3=C(CCCC3(C)C)C)CCc2nn1)C	PC-id_42440582	444.633	ZHRZWKHLMZVDQX-IBGZPJMESA-O	00000000100011000101000000000010000000000000000000000000	31-01-135778
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)NC(C(C)C)C)C#N	PC-id_56285282	444.633	ZBLHBPBEBYQZRR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-135779
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)NCCCCC)C)C#N	PC-id_55852799	444.633	QULOLVLBNZGTCZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-135780
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)NC(C(C)C)C)C)C#N	PC-id_56358436	444.633	WZUOAJBGNGOZCL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-135781
CCC(C)C(=O)NCc1nnc2CCN(Cc3cc(CN4CCCCC4)cs3)CCn12	PC-id_45193093,EMOLS-id_20498219,MCULE-1906981877	444.637	KUGVSDKCABCVDC-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-135782
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(CN3CCCCC3)cs1)CC2	CoCoCo_1268637,ZINC22_12041871,CoCoCo_1268635	444.637	KUGVSDKCABCVDC-SFHVURJKSA-N	00000000100110000101000000000010000000000000000000000000	31-01-135783
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(CN3CCCCC3)cs1)CC2	CoCoCo_1268638,CoCoCo_1268636,ZINC22_12041868	444.637	KUGVSDKCABCVDC-GOSISDBHSA-N	00000000100110000101000000000010000000000000000000000000	31-01-135784
O(c1c(C(C)(C)C)cc(c(C(C)(C)C)c1)C)C(=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_20589316	444.648	SECUQMIUXRVOLC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-135785
Oc1c(C(C)(C)C)cc(c(C(C)(C)C)c1)CC(=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60089265	444.648	DJQUKTPEGCABLB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-135786
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c1(NC(=S)Nc2ccc(cc2)C(C)CC)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-8114429303,TIMTEC301000,EMOLS-id_4131567,PC-id_3301801	444.653	LZNFLLAQQJGKMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135788
c1(NC(=S)Nc2ccc(cc2)CCCC)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC121983,PC-id_3303079,ZINC22_5946374,EMOLS-id_4131569,CoCoCo_6800648,MCULE-3854182918	444.653	DHRYYYWZQISZBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135789
CCOC(=O)c1c(NC(=S)Nc2ccc([C@H](C)CC)cc2)sc2c1CCCCCC2	CoCoCo_6800644,ZINC22_5949807,PC-id_40573550	444.653	LZNFLLAQQJGKMY-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135790
CCOC(=O)c1c(NC(=S)Nc2ccc([C@@H](C)CC)cc2)sc2c1CCCCCC2	PC-id_40573564,CoCoCo_6800643,ZINC22_5949846	444.653	LZNFLLAQQJGKMY-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135791
O=C1NC(C)c2scc(n2)/C=CC=CC(=C)C/C=C(/CC[C@](C1)(S)C(C(=C)O)C)C	PC-id_143121217	444.653	UBWBSCUSQHMCHG-QTSMYZOKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-135792
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1C(C)C)C(=O)OC	PC-id_19687900	444.653	ULVCCKORTCXCLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135793
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(C(C)C)cc1)CC)C(=O)OC	PC-id_20179606	444.653	WKKVXXNBLHZNEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135794
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(C(C)C)cc1)C)C(=O)OCC	PC-id_19675539	444.653	XNWIVGBBPLIYPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135795
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(CCC)cc1)C)C(=O)OCC	PC-id_20168403	444.653	KRJBBWFOOGEDTC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135796
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(C(CC)C)cc1)C)C(=O)OC	PC-id_20168481	444.653	NKIZFTWPTMVNHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135797
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_20179684	444.653	ZOZRMVHTUVGBCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135798
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(CC)cccc1CC)C(=O)OCC	PC-id_20410655	444.653	ZHWKREBCTTYZCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135799
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1C)C(=O)OCC	PC-id_20415680	444.653	FLXWEOHQMQRMHI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135800
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(CCCC)cccc1)C(=O)OCC	PC-id_20412838	444.653	HYYNCZFWAFLBKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135801
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(C(CC)C)cccc1)C(=O)OCC	PC-id_20412925	444.653	CKEWVLPLVZZYLZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135802
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(C(C)(C)C)cccc1)C(=O)OCC	PC-id_20412996	444.653	YAGIVQCLIWKKPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135803
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1cc(c(cc1)C)C)C)C(=O)OCC	PC-id_19675033	444.653	UWXOAIWEKIAQDZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135804
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(cc1)CC)C)C(=O)OCC	PC-id_19675120	444.653	VHZPFNNXDWQKDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135805
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(ccc(c1)C)C)C)C(=O)OCC	PC-id_19675204	444.653	DMVHOLBCHCGXLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135806
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(cc(cc1)C)C)C)C(=O)OCC	PC-id_19675281	444.653	YJJGBFVKIBAYBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135807
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(C(C)C)cc1)C)C(=O)OC	PC-id_19675532	444.653	TXAFQOTZMGADAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135808
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(CCC)cc1)C)C(=O)OC	PC-id_20168396	444.653	WQDILSFUZCCZCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135809
s1c2c(CCCCCC2)c(c1NC(=S)NC(CCc1ccccc1)C)C(=O)OCC	PC-id_19651875	444.653	LVNLVTYBTFBKIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135810
s1c2c(CCCCCC2)c(c1NC(=S)NC(CC)c1ccc(cc1)C)C(=O)OCC	PC-id_19675445	444.653	BIAPVQDDUXWYPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135811
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCc1ccccc1)C(=O)OCC	PC-id_19650202	444.653	MSHSCVSZCMBPAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135812
S1CCOCCOCCOCCOCCOCCSc2sc(=S)sc12	PC-id_10478649	444.673	BMWUDRPLSRYVFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-135813
Ic1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1Cl	PC-id_52589002	444.698	UEJMVERGUWTQBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135814
Ic1c(C(=O)NCCc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_52589003	444.698	RPRGLHHTFVZEJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135815
Ic1c(C(=O)NCCc2n3CCCCCc3nn2)cc(Cl)cc1	PC-id_52589001	444.698	MCQMDQGEMOMOGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135816
CCOC(=O)c1cc2n(c1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_90460514,SCHEMBL16099740	444.832	GSDCOIKRTIZVIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135817
C[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1cc2OCOc2cc1Cl)NC(=O)c1ccco1	GD-id_ZINC12077910,PC-id_42396946	444.891	IUJOJONQZIJUMV-ZDUSSCGKSA-O	00000010101000100101000000001010000000000000000000000000	31-01-135818
C[C@H](c1nnc2n1CC[N@@H+](CC2)Cc1cc2OCOc2cc1Cl)NC(=O)c1ccco1	PC-id_42396944,GD-id_ZINC12077908	444.891	IUJOJONQZIJUMV-CYBMUJFWSA-O	00000010101000100101000000001010000000000000000000000000	31-01-135819
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cc2OCOc2c1	PC-id_74794774	444.891	IUJOJONQZIJUMV-UHFFFAOYSA-O	00000010101000100101000000001010000000000000000000000000	31-01-135820
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc2c(s1)CCCCC2	MCULE-6405987423,ZINC22_13095982,PC-id_16273678,CoCoCo_3199783,EMOLS-id_11675718	444.898	WIZDSFBFSLCYBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135821
COc1cn(Cc2ccc(c(c2)Cl)F)c(nc1=O)NC1=CCC=c2c(=C1C)scn2	PC-id_145173519	444.91	WKPHRFYDWDYSQK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-135822
Clc1c(c2oc(nn2)CN(C(=O)Cn2nc3n(CCCCC3)c2=O)CCC)cccc1	PC-id_55590945	444.915	GMUOUFBMTGRJPS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135823
Clc1c(c2noc(c2C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)C)cccc1	PC-id_4613421	444.931	JUHUEVDNLUTAPY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135824
Clc1ccc(C(=O)CCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_29155169	444.931	GPVWMWYSHKACQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135825
Clc1ccc(C(=O)COC(=O)CCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_19059644	444.931	PDNLKGFNBGDSNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135826
Clc1ccc(c2nc(on2)CCC(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_24488100	444.934	YBMCAMPOCBMVQM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135827
Clc1ccc(cc1)NS(=O)(=O)CCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	GD-id_ZINC29411487	444.951	VEMJQFPYGMUDGO-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-135828
Clc1c2c(sc1C(=O)OCC(=O)Nc1sc3CCCCCc3c1C#N)cccc2	PC-id_3585336	444.954	TYWYLVVBMRMXKY-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-135829
Clc1cc(ccc1C(=O)N1CCCC(=O)c2c1ccs2)NC(=O)c1sccc1C	PC-id_141594233	444.954	IFWWGQHBNZWPSR-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-135830
Clc1c(c2oc(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cccc1	PC-id_78778684	444.958	PJNKTMBMWNXNAE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135831
Clc1ccc(cc1)CC(=O)N1CCN(CC1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_112834923	444.958	WPEGQEBIXGGPHP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135832
N#Cc1c(NC(=O)CSc2nnc(o2)c2ccc(cc2)Cl)sc2c1CCCCC2	PC-id_112783802	444.958	YEDFNJZTXWZCME-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135833
Clc1ccc(n2nnnc2SCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_35688688	444.961	ZOZRTRQRIASJCP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135834
c1(c2CCCCCc2sc1NCc1ccc(C)o1)C(=O)Nc1c(OC)ccc(Cl)c1	CoCoCo_2720551,PC-id_5050508,CHEMBL1447653,EMOLS-id_9920577,MCULE-8116985321,SCHEMBL10077920	444.974	CEEXTYTYFAOORT-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-135835
Clc1c(NC(=O)CN(CCC(=O)Nc2sc3CCCCCc3c2C#N)C)cccc1	PC-id_27220859	444.977	UNVJSRCZZFQHGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135836
ONC1=CCN(C(=O)c2c1ccn2CCCC[NH+]1CCN(CC1)c1cccc(c1)Cl)C	GD-id_ZINC01541750	444.978	WDBTZFPLOCSUTO-UHFFFAOYSA-O	00000000100010110111100000000010000000000000000000000000	31-01-135837
O/N=C/1CCN(C(=O)c2c1ccn2CCCC[NH+]1CCN(CC1)c1cccc(c1)Cl)C	GLL_PC-id_44212569	444.978	FRAZILHZIGDLMW-NJNXFGOHSA-O	00000000100010110101100000000010000000000000000000000000	31-01-135838
CCn1cc(c2c1C(O)CCN(C2=O)CCCN1CCN(CC1)c1ccc(cc1)Cl)C	SCHEMBL6774744,PC-id_22737934	444.997	LNZJZUOLCOWBMG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135839
CCOC1CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccc(cc1)Cl	PC-id_22738110,SCHEMBL6770139	444.997	QDQBCHPDVBKITD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135840
Clc1ccc(N2CCN(CCCN3CCC(OC)c4n(ccc4C3=O)CC)CC2)cc1	PC-id_22738015,SCHEMBL6769645	444.997	BHXFFICJMRNJBX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-135841
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)Cc2c(scc2)C)cc1	PC-id_69954943,SCHEMBL6992463	444.997	VSQCGKOKIHVCKH-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-135842
Clc1ccc(Sc2c(NC(=O)CSc3n4CCCCCc4nn3)cccc2)cc1	PC-id_29511607	445.001	VYOPNRNYHYDDAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135843
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(C1)c1ncccc1Cl	PC-id_109723689	445.004	NJGKDORHKWMTMI-UHFFFAOYSA-N	00000010100000101101100000000010000000000000000000000000	31-01-135844
Clc1c(C(=O)Nc2ccc(C(=O)N3CCCCc4sccc34)cc2)cccc1Cl	PC-id_57272307	445.362	AVGWSFHTBRIYJD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135882
O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	EMOLS-id_43815322,PC-id_26906126,MCULE-2436671096,CoCoCo_3227283,ZINC22_16015803	445.019	KMXXOJGOIFHVFB-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-135845
Clc1c(Cn2nc(c(CN(Cn3nc4n(CCCCC4)c3=S)C)c2C)C)cccc1	PC-id_24450036	445.024	YSRZCFYONHNQOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135846
CC(=O)S[C@H]1C=Cc2c(n(cc2S(=O)(=O)N1)C)C(=O)Nc1cc(c(c(c1)F)F)F	PC-id_163940617	445.038	RQQWQOQKETWZMM-AWEZNQCLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-135847
C[C@H](C1(COC2=C(N(C=C2S(=O)(=O)[N+]#C1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C=C)O	PC-id_154682201	445.098	OTLJGJSRZGLOBA-ZRIYNBNISA-O	00000000100000110111000000000010000000000000000000000000	31-01-135848
Brc1c(c2-c(c1C(=O)OCC)ccc(N)c(Br)c2)C(=O)OCC	PC-id_86217656	445.103	OBVKWBLCBVZCTR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-135849
CC(C=C)C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F	PC-id_154682099	445.108	HNWSDYICXKGJKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135850
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)CCC(NS2=O)(CO)C=C	PC-id_154682135	445.108	WITUKVJZXIQDSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135851
CCNC1=NC=C(C=C1)C(=O)C2CCCC3=C(C2=O)SC(=N3)NC(=O)CN(C)C(=O)O	PC-id_153903789	445.142	BHZMYGAVJBXWCX-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135852
CC(C)(C)OC(=O)N(CC1CC1)C1=CC(=Nc2c(cnn2C1)/C=C/1CC(=O)NC1=O)Cl	PC-id_164016458	445.152	UVRJJGKXKMZFBA-AWNIVKPZSA-N	00100010100000000111000000000010000000000000000000000000	31-01-135853
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CC3=CC=NN3CCNC(=O)C2=O	PC-id_162134807	445.167	ZJDCCXHRNXELCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135854
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CC3=CN=CN3CCNC(=O)C2=O	PC-id_147637199	445.167	GGWSEZTWJIWOOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135855
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CC3=NC=CN3CCNC(=O)C2=O	PC-id_160238546	445.167	PLIHOFLSYLOGRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135856
C1CN(CCN2C1=C(C(=N2)C(=O)N3CCC4=NNN=C4C3)CC5=CC=C(C=C5)C#N)C(=O)[O-]	PC-id_151467948	445.174	PJVWSWZYCWQWKD-UHFFFAOYSA-M	00000000100010110101000000010010000000000000000000000000	31-01-135857
CCN=S1(=O)c2cn(c(c2CC([C@@H](N1)C(C)C)C)C(=O)Nc1cc(c(cc1)F)C#N)C	PC-id_163862520	445.195	PDULZTHAIHKSMX-YBJXCRJNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135858
CC1=C(C=C(C=C1)C(=O)NCCC2=NN=C3N2CCCCC3)S(=O)(=O)N4CCCCC4	MCULE-1228369271,EMOLS-id_257873262,PC-id_154759184	445.215	WPDARWKTTFWMIJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-135859
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3=CC=C(C=C3)F	PC-id_155171322	445.238	MWRCSJZKLCDION-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135860
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3=CC=CC=C3F	PC-id_155171347	445.238	MFODIUUQMCEHPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135861
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3=CC(=CC=C3)F	PC-id_155171441	445.238	FLDPYJXGPYUUAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135862
Brc1cc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)c(OC(F)F)cc1	PC-id_56304270	445.259	WTNYLLNMYINUTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135863
O=C1CCC(=O)OCn2c(c(O1)c(C)n2)Cn1ncc(c1)c1cccc(c1)Br	PC-id_140810685	445.267	JXBWXFWSUXNSGV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135864
C1CCc2c(CC1)n(c(c2)C(=O)OI)S(=O)(=O)c1ccccc1	PC-id_134335255,SCHEMBL19958569	445.272	UGJFDCZMBWZLKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135865
CNC(=O)C1CCCCCNC(=O)C(CC2=CN(CCCC1)N=N2)NC(=O)[C@H](CC#C)N	PC-id_161190026	445.28	UTOZXRXXJLTXHL-AVAKVYKDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-135866
C[C@@H](C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Br)C)O	PC-id_140762697	445.288	GGRCAJGCDPCESO-PEHGTWAWSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135867
C[C@@H]([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)Br)C)O	SCHEMBL18353524	445.288	GGRCAJGCDPCESO-WCBMZHEXSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135868
OC[C@H]1NS(=O)(=O)c2c(O[C@H]1C)c(n(c2)C)C(=O)Nc1ccnc(c1)Br	SCHEMBL18352859	445.288	QYQFFRSCANOYQE-WCBMZHEXSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135869
Brc1c(Cn2nccc2NC(=O)Cn2nc3n(CCCCC3)c2=O)cccc1	PC-id_55561261	445.313	NNOBLBZTTJOPCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135870
Brc1cc(n2nc(cc2NC(=O)Cn2nc3n(CCCCC3)c2=O)C)ccc1	PC-id_55672405	445.313	DQYWLCVGPKGHGA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135871
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccnn1Cc1cccc(Br)c1	PC-id_55776686,MCULE-3700993904,EMOLS-id_320307430,ZINC22_107863564	445.313	SQFZWADTQLCYNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135872
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1nccn1Cc1ccc(Br)cc1	ZINC22_1117527664,EMOLS-id_320398619,PC-id_139002299,MCULE-5694286639	445.313	CAFJHJKYEZBPGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135873
Brc1cn(nc1)Cc1oc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	MCULE-6728717415,CHEMBL1416561,CK1539793,EMOLS-id_2577175,PC-id_6620901,ChEMBL-DNDi_CHEMBL1416561,CoCoCo_1859362	445.333	LCERXWIRJHYLSX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-135874
CCNC(=O)Nc1nc(c2n1CCCN(C2)CC1CCCCC1)I	SCHEMBL21218991,PC-id_139366896	445.342	GFORGQOSRXDESV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-135875
COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807953	445.351	XLTDVFZFQLFCGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135876
Clc1ccc(c(c1)Cl)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	SCHEMBL6988983,PC-id_21467134	445.362	QDLVTAVIVRCOJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135877
Clc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2)Cl	SCHEMBL6993669,PC-id_19029041	445.362	VPZQPBKRHARORK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135878
Clc1cc(Cl)cc(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	SCHEMBL8796877,PC-id_57279514	445.362	LBSIFNQCFFQIDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135879
Clc1cc(C(=O)Nc2ccc(C(=O)N3CCCCc4sccc34)cc2)ccc1Cl	SCHEMBL6987161,PC-id_21467135	445.362	NUKZAVWTMWBHOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135880
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2c(Cl)cccc2)c1	PC-id_57087074	445.362	PABGJBAGPJREOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135881
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)NC(=O)c1c(Cl)cccc1Cl	PC-id_139709993	445.362	JFVJNQJWIGZAQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135883
Brc1ccc(c2sc(C(=O)NCCc3n4CCCCCc4nn3)cc2)cc1	PC-id_55677693	445.376	DIZQLJPNJDPVGK-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-135884
BrCCCCCCCCn1c2c(C(=O)CCN(C2=O)Cc2ccccc2)cc1	PC-id_20085227,SCHEMBL6986608	445.393	DBTTXYPEDQUERD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135885
CCCCCCCCC1=NCc2c(C=N1)n(c(n2)Br)Cc1ccc(cc1)OC	PC-id_91508383	445.396	CCCFSOAYOYXYSE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-135886
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CC1)c1cccc(c1)Br	PC-id_111572821	445.399	PABYJNPYDPIWKE-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-135887
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CC1)c1ccccc1Br	PC-id_111650180	445.399	WNTXMDUFKAIWHM-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-135888
CN=C(NCC1(CC1)c1cccc(c1)Br)NCCc1nnc2n1CCCCC2	PC-id_111572673	445.399	HWXGMMJDNDGGJH-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-135889
CN=C(NCC1(CC1)c1ccccc1Br)NCCc1nnc2n1CCCCC2	PC-id_111649872	445.399	QFGZAFMWSHSSJL-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-135890
OC(C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C)C1CC1	PC-id_140762734	445.413	PWZYCUMICGCNQJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-135891
OC([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C)C1CC1	SCHEMBL18352876	445.413	PWZYCUMICGCNQJ-ZGTOLYCTSA-N	00100000100000110101000000000010000000000000000000000000	31-01-135892
CC(C)OC(=O)C1=CN(C(=O)c2cccc(C(F)(F)F)c2)CC(C)(C)c2cc(C#N)[nH]c12	SCHEMBL4231110,BindingDB_PC-id_42611165,PC-id_42611165,CHEMBL576415	445.434	HEEVZNKQDQTZBT-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-135893
COc1ccccc1CN1CCc2c(CC1)oc(n2)C(=O)Nc1cccc(c1)C(F)(F)F	PC-id_134807176	445.434	VVVPYNGQTFXEKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135894
COc1cccc(c1)CN1Cc2c(nnn2CCC1=O)CNc1cccc(c1)C(F)(F)F	PC-id_134808668	445.438	TXIYNRNZGSMMRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135895
FC(F)(F)c1ccc(CNC(=O)C2CCc3nn(Cc4ccncc4)c(=O)n3CC2)cc1	MCULE-5423598052,EMOLS-id_207877077	445.438	SPDWHUDKRPMPSD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-135896
s1c2c(CCCCC2)c(c1NC(=O)Cn1c2c(oc1=O)cc([N+](=O)[O-])cc2)C(=O)OC	PC-id_52638612	445.446	VNVNFGOXWRCVKJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-135897
O=C(c1n(C)cc2c1CCC(NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1)C(F)F)F	SCHEMBL18352803	445.456	GCKJIKDQAFLLGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135898
S(=O)(=O)(c1cc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(O)cc1)CC	PC-id_19523874	445.456	NCYIMTYJTJTTDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135899
S=C(C(F)F)NCC1OC(=O)N(C1)c1ccc(c(c1)F)Nc1ccc2-c(cc1)ccc2	PC-id_143555117	445.457	VJGGEOYVXSOXCF-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-135900
S(=O)(=O)(NCC(=O)NCCc1n2CCCCCc2nn1)c1cc(ccc1)C(F)(F)F	PC-id_56545958	445.459	AGOJHCULIBJJFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135901
CCNC(=O)CONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	PC-id_23296750,SCHEMBL8158922	445.466	DSQMWWXXKKQJFP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-135902
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCC(=O)N(C)C	SCHEMBL6875709,PC-id_15411823	445.466	XLGKGCSQDZYVKY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-135903
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)Cc2noc4ccccc24)CCC3)cc1	ZINC22_2055750622,EMOLS-id_313764040	445.471	KNZULRKSLPWQBB-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-135904
OCCCN1C(=O)Cc2c(N(C1=O)C)nc(n2Cc1ccccc1)Oc1ccc(cc1)C#N	PC-id_144762103	445.471	VTGHHUHTDVWOEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135905
Cc1nccn1Cc1nn2CCC(C(=O)Nc2c1)NC(=O)c1nn(cn1)Cc1ccccc1	PC-id_137102010,SCHEMBL18376129	445.477	CELOSZJZOMDBEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135906
CC(CN1COOCc2c1cn(c2Nc1ccccc1)Cc1ccc(cc1)C(F)(F)F)C	PC-id_121258540,SCHEMBL17656458	445.477	FNSUIOGSFUCOCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135907
O=C1C(CCn2c(N1C)cc(n2)Cn1cccn1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367304	445.477	HWSGSMWPCWSAEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135908
O=C1[C@H](CCn2c(N1C)cc(n2)Cn1cncc1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367310	445.477	OFCAXRPTPMDNAJ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135909
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCc1c(n(nc1C)c1ccccc1)C	PC-id_19523626	445.481	QZCALEUBSWZYRC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135910
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cc(Cn2nc(cc2C)C)ccc1	PC-id_19523713	445.481	WRVDCIFCKHNLNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135911
O=C(c1n(C)cc2c1OCC(NS2=O)(C)Cc1ccccc1)Nc1ccc(c(c1)F)F	SCHEMBL21337030,PC-id_139471036	445.482	RVWDXMUKBBQIRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135912
O=C(NNC(=O)c1cc2c(s1)CCCCC2)CCc1ncc(o1)c1c(F)cccc1F	EMOLS-id_16779092,CoCoCo_4518819,MCULE-6973017448,PC-id_41512764	445.482	QWRLSRYHWJFEDA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-135913
COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c1	EMOLS-id_43703963,PC-id_2448609,ZINC22_3332497,CoCoCo_2861424,MCULE-9621405030	445.486	NFJANMRSZQAYLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135914
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)OC	PC-id_16509411	445.486	NBGGRXCEXWMGSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135915
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)Cc1cccc(c1)c1ccco1	ChEMBL-DNDi_CHEMBL12822483	445.489	VHDJNGANEUQBTN-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-135916
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccco1	ChEMBL-DNDi_CHEMBL28496931	445.489	CZWBGYVCGPLDCV-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-135917
CCN(c1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)N(C)C)C(=O)O	PC-id_144077574	445.492	CBZMKAPANLOPNL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-135918
O=C(NC(C(=O)NC1Cc2nnc(s2)CNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110109,PC-id_138730951	445.492	VYJZJBWZJDMITJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135919
CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)CC(C)C	EMOLS-id_4401745,PC-id_3534869,ChEMBL-DNDi_CHEMBL8010-8309,STOCK1S-66007,TIMTEC560346,SPECS-id_AG-389/14050044,MCULE-2132048316	445.499	XWWUVRJPKBGJEJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-135920
CCOC(=O)[C@](NC(=O)CC(C)C)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	CoCoCo_1955488,PC-id_40464822,ZINC22_3671824	445.499	XWWUVRJPKBGJEJ-IBGZPJMESA-N	00000000100000000100000000000010000000000000000000000000	31-01-135921
CCOC(=O)[C@@](NC(=O)CC(C)C)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	PC-id_40464823,CoCoCo_1955487,ZINC22_3671825	445.499	XWWUVRJPKBGJEJ-LJQANCHMSA-N	00000000100000000100000000000010000000000000000000000000	31-01-135922
S(c1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)cccc1)c1ccccc1	PC-id_19527308	445.5	IQKOCKVOFONKDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135923
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)C(F)(F)F)CCn12	EMOLS-id_232730538,PC-id_45166423,MCULE-6981981011	445.502	MTFZSGYHNIHHST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135924
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cccc(c3)C(F)(F)F)CCn12	MCULE-7286432970,EMOLS-id_20708761,PC-id_45167365	445.502	SBXKHZYLHQJQQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135925
CC(C)Cc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(F)c(F)c1	BindingDB-id_731707,SCHEMBL17777951,PC-id_121358878	445.502	QZINOUAIGKTPHV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-135926
CCCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(F)c(F)c1	BindingDB-id_731712,SCHEMBL17777956,PC-id_121358883	445.502	ALALYDSNVPXTQU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-135927
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	ZINC22_20538390	445.502	SBXKHZYLHQJQQV-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135928
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	ZINC22_20538392	445.502	SBXKHZYLHQJQQV-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135929
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2	ZINC22_20781206	445.502	MTFZSGYHNIHHST-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135930
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2	ZINC22_20781208	445.502	MTFZSGYHNIHHST-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135931
O=C(c1n(C)cc2c1CCC(NS2(=O)=O)SC(O)(C)C)Nc1ccc(c(c1)F)F	SCHEMBL21337145,PC-id_139471152	445.504	UVNZAHAKOLNOHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135932
OC(=O)[C@H]1[C@@H](CCCCc2ccc3-c2ccccc3)C(=O)N1C(C(=O)O)Cc1ccccc1	PC-id_140404177	445.507	HIPLYJNJHBJCHS-NZNOWSIYSA-N	00001010100000110110000000000010000000000000000000000000	31-01-135933
COc1ccc(c(c1)NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCC2)OC	PC-id_9500627,GD-id_ZINC08387405	445.509	ARHTWGQZFOXPAV-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-135934
COc1cc(OC)c(CN2CCc3nnc(CNC(=O)C4CCOC4)n3CC2)c(OC)c1	MCULE-6036520960,PC-id_45169127,ChEMBL-DNDi_CHEMBL10878972,EMOLS-id_20394382	445.512	QYYHFWXLWCFBES-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135935
COc1cc(OC)c(CN2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)c(OC)c1	PC-id_30852383,ZINC22_23128948,CoCoCo_1124328,CoCoCo_1124326	445.512	QYYHFWXLWCFBES-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135936
COc1cc(OC)c(CN2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)c(OC)c1	ZINC22_23128949,CoCoCo_1124325,PC-id_30852384,CoCoCo_1124327	445.512	QYYHFWXLWCFBES-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135937
COc1ncc(cn1)c1csc(n1)NC1C=Cc2c(C=C1)ccn2Cc1ccc(cc1)F	PC-id_143328745	445.512	CYOSSNVAXSRETL-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-135938
c1(ccccc1)C(C)NC(=O)CNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	MCULE-5177752873,EMOLS-id_25388148,PC-id_46049880	445.514	HKOGAROLGSXILR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135939
c1cccc(CN(C)C(=O)CNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)c1	EMOLS-id_25388420,PC-id_46049595,MCULE-4775810600	445.514	HCDXBBGMKZTKLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135940
CN(CC(=O)NCc1ccccc1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049854,EMOLS-id_25388136,MCULE-5842876268	445.514	VJRQNDHTNPSEFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135941
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cc4ccccc4o3)CCn12	PC-id_30851787,CoCoCo_1116633,MCULE-8624161610,CoCoCo_1116632,ZINC22_23128474,EMOLS-id_20388666	445.514	OZDRVYGXDOIFCL-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-135942
n12CCN(CCc1nnc2CCNC(=O)COc1ccccc1)Cc1cc2c(cccc2)o1	ZINC22_19228656,PC-id_28101165,CoCoCo_1414691,MCULE-5713602563,CoCoCo_1414692,EMOLS-id_20597721	445.514	KUWVUSIOSQWNCN-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-135943
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)Nc1ccccc1)Cc1c(cccc1)C	MCULE-5230032638,PC-id_46050064,EMOLS-id_25388258	445.514	SVHKJSCADAEXFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135944
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)Nc1ccccc1)Cc1ccc(cc1)C	PC-id_42855068	445.514	ARQULDABUXEUQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135945
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)Nc1ccccc1)Cc1ccc(cc1)C	PC-id_42855087	445.514	GEWFBKBTXFXXBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135946
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)Nc1ccccc1)Cc1cc(ccc1)C	PC-id_42855094	445.514	MNJZAVYLEOOUPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135947
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)Nc1ccccc1)C)Cc1ccc(cc1)C	PC-id_42855077	445.514	CIZUIRRSAGFLGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135948
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)Nc1ccccc1)C)Cc1cc(ccc1)C	PC-id_42855104	445.514	CXPWSEPNASRAJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135949
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)Nc1ccccc1)C)Cc1c(cccc1)C	PC-id_46159996	445.514	TZVHYEJKKBPQNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135950
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCc1ccccc1)Cc1cc(ccc1)C	PC-id_42855107	445.514	LNOZKCPHELQNMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135951
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCc1ccccc1)Cc1c(cccc1)C	PC-id_42855133	445.514	CDIXJSGCQMRADC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135952
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCc1ccccc1)C)Cc1ccccc1	PC-id_46159952	445.514	UDDOXPHINVCDAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135953
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCCc1ccccc1)Cc1ccccc1	PC-id_46049883	445.514	PYAYGHMVYSLORG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135954
O=C(N[C@H](c1ccccc1)C)CNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332502	445.514	HKOGAROLGSXILR-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135955
O=C(N[C@@H](c1ccccc1)C)CNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332503	445.514	HKOGAROLGSXILR-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135956
s1c2CCCCCCc2c(c1NC(=O)CSC1=NC(=O)/C(=N/C(=O)C)/C(=O)N1)C#N	PC-id_75651692	445.515	IHFPAPMISMEGFE-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-135957
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CCCOc1ccccc1)C(=O)OC	PC-id_5226870	445.529	RLCWCCGHEGQAEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-135958
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccc(c(OC)c3)F)CCn12	PC-id_45184345,MCULE-9045487261,EMOLS-id_20460205	445.53	SZUBOJZLKWHZKS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135959
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3cc(OC)ccc3F)CCn12	MCULE-6374027041,EMOLS-id_232751459,PC-id_45931333	445.53	SRKBTMRSEXZGNC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135960
COc1ccc(F)c(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_19299733	445.53	SRKBTMRSEXZGNC-IERDGZPVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135961
COc1ccc(F)c(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_19299735	445.53	SRKBTMRSEXZGNC-IIBYNOLFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135962
COc1ccc(F)c(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_824628629	445.53	SRKBTMRSEXZGNC-HRAATJIYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135963
COc1ccc(F)c(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_824628635	445.53	SRKBTMRSEXZGNC-KKSFZXQISA-N	00000010100000110101000000000010000000000000000000000000	31-01-135964
COc1cc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)ccc1F	CoCoCo_1214438,ZINC22_257371919,CoCoCo_1214439	445.53	SZUBOJZLKWHZKS-LAUBAEHRSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135965
COc1cc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)ccc1F	CoCoCo_1214441,PC-id_26281740,ZINC22_14887744,CoCoCo_1214440	445.53	SZUBOJZLKWHZKS-DYESRHJHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135966
COc1cc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)ccc1F	PC-id_26281737,CoCoCo_1214445,CoCoCo_1214444,ZINC22_14887742	445.53	SZUBOJZLKWHZKS-UTKZUKDTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135967
COc1cc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)ccc1F	ZINC22_257371920,CoCoCo_1214443,CoCoCo_1214442	445.53	SZUBOJZLKWHZKS-UWJYYQICSA-N	00000010100000110101000000000010000000000000000000000000	31-01-135968
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s1c2CCCCCc2nc1NC(=O)c1cc(S(=O)(=O)Nc2c(F)cccc2)ccc1	PC-id_24611875	445.53	LDHABEMVFITRRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-135971
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s1c2CCCCCCc2nc1NC(=O)c1ccc(S(=O)(=O)NCc2occc2)cc1	PC-id_60571399	445.555	ITPYLBUDCHIUMB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-136069
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CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_239235666	445.572	WLTDVBVMEOWHQV-ILRDRHFLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136114
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_239235667	445.572	WLTDVBVMEOWHQV-STEAMIEHSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136115
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)C3=C(C)C)sc2c1CCCCC2	CoCoCo_901609	445.572	WLTDVBVMEOWHQV-OSGQAZFXSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136116
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)C3=C(C)C)sc2c1CCCCC2	CoCoCo_901611	445.572	WLTDVBVMEOWHQV-WTLGNFPFSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136117
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)C3=C(C)C)sc2c1CCCCC2	CoCoCo_901613,PC-id_1226133	445.572	WLTDVBVMEOWHQV-QGWWYQLQSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136118
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)C3=C(C)C)sc2c1CCCCC2	CoCoCo_901615	445.572	WLTDVBVMEOWHQV-LVFSCSRESA-N	00000010100010000100000000000110000000000000000000000000	31-01-136119
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCC2	CoCoCo_901612,PC-id_40737333,ZINC22_8454478	445.572	WLTDVBVMEOWHQV-QXGSTGNESA-N	00000010100010000100000000000110000000000000000000000000	31-01-136120
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCC2	PC-id_99726599,ZINC22_169619991	445.572	WLTDVBVMEOWHQV-SAKMYQHLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136121
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCC2	PC-id_99726600,ZINC22_169619992	445.572	WLTDVBVMEOWHQV-LNMJFAINSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136122
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCC2	ZINC22_8454477,CoCoCo_901608,PC-id_40737331	445.572	WLTDVBVMEOWHQV-SFUIVIKGSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136123
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1occc1)C(=O)OCC	PC-id_22196052	445.575	CTVJWGMCYTYCLJ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-136124
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1occc1)C(=O)OC	PC-id_22195996	445.575	KCEWYRAHPRLENU-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-136125
c1(NC(=O)CCn2ccc3ccc(OCc4ccccc4)cc23)sc2c(CCCCC2)n1	EMOLS-id_323298674,MCULE-8212318350	445.576	MAWNGNJGBZCXPK-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-136126
c1(NC(=O)CCn2ccc3cc(OCc4ccccc4)ccc23)sc2c(CCCCC2)n1	EMOLS-id_323305083,MCULE-6619485718	445.576	HMRGWMITUBFZRP-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-136127
CCN1CCN(Cc2ccc(NS(=O)(=O)c3cc4C(=O)N(C)CCCn4c3)cc2)CC1	MCULE-8395597738,EMOLS-id_33087148,PC-id_53182897	445.578	WTJKIOUXUVEEEU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136128
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)N1CCOCC1)C#N	PC-id_31295529	445.578	ZDKNNIKDMZUAJK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136129
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)CN1CCOCC1)C#N	PC-id_55498762	445.578	CFNGGDOJWUZWTJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136130
s1c2CCCCCc2nc1NC(=O)CCc1onc(n1)C1(NC(=O)C)CCCCCC1	PC-id_56024833	445.578	KASSAXVZFOJRDD-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-136131
S(=O)(=O)(N1CCC(CC1)(c1ccccc1)C(=O)NCc1n2CCCCCc2nn1)CC	PC-id_78837124	445.578	QKQDIDQDZFFXOK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136132
S(=O)(=O)(N1C(CCCC1)C)c1cc(ccc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_55535663	445.578	LDWOAMFCQYELDD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136133
S(=O)(=O)(N1C(CCCC1)C)c1ccc(cc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_55535664	445.578	GYBVJNOOPCTRTE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136134
S(=O)(=O)(N1CCC(CC1)C(=O)NCc1n2CCCCCc2nn1)c1cc(c(cc1)C)C	PC-id_24676665	445.578	GPFQDHCGWXWLRO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136135
S(=O)(=O)(N1CCCCCC1)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55536190	445.578	PEKGMIKMNJWECP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136136
S(=O)(=O)(N(CC)CC)c1ccc(cc1)/C=C/C(=O)NCCc1n2CCCCCc2nn1	PC-id_55553978	445.578	JATGLUPUEOCHEC-SDNWHVSQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136137
S(=O)(=O)(N(CC)CC)c1ccc(cc1)C=CC(=O)NCCc1n2CCCCCc2nn1	PC-id_76245468	445.578	JATGLUPUEOCHEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136138
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3cc4c(cccc4)s3)CCn12	MCULE-1673761546,EMOLS-id_20472001,PC-id_45187114	445.58	YIHVIMNWQXNXHE-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-136139
Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	CoCoCo_1231278,ZINC22_11814448,CoCoCo_1231279,PC-id_42190966	445.58	YIHVIMNWQXNXHE-GOSISDBHSA-N	00000000100000110101000001000010000000000000000000000000	31-01-136140
Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	ZINC22_11814449,CoCoCo_1231280,CoCoCo_1231281,PC-id_42190968	445.58	YIHVIMNWQXNXHE-SFHVURJKSA-N	00000000100000110101000001000010000000000000000000000000	31-01-136141
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C)C1CC1	PC-id_74494086	445.58	DSLCARDMFCIFDQ-UHFFFAOYSA-O	00100000100000110101000000000010000000000000000000000000	31-01-136142
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C)C1CC1	PC-id_26278033	445.58	DSLCARDMFCIFDQ-LJQANCHMSA-O	00100000100000110101000000000010000000000000000000000000	31-01-136143
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C)C1CC1	PC-id_26278035	445.58	DSLCARDMFCIFDQ-IBGZPJMESA-O	00100000100000110101000000000010000000000000000000000000	31-01-136144
CC(C)C(=O)Nc1nc(CC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cs1	PC-id_45909538,ZINC22_40145180,MCULE-8907181858,EMOLS-id_30259157	445.582	YINQUAAXSWTJDH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136145
c1(c2CCCCCCCCCCc2sc1NC(=O)c1ccccc1F)C(=O)OC(C)C	ZINC22_2089779,TIMTEC570107,PC-id_1747205,MCULE-7496948175,EMOLS-id_4132630,CoCoCo_6786838,SPECS-id_AK-968/15604012	445.59	YHQJXYVLLFILSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136146
Cc1c(cc(cc1)/C(=C/C/C=C/c1cnc2-c1ccccc2)/C=C(/c1cc(c(cc1)C)C)O)C	PC-id_137209243	445.595	GMPUEOCFKHSQBW-YBPWQOKASA-N	00000010100000110110000000000010000000000000000000000000	31-01-136147
O/C(=CC(=C/C/C=C/c1c[nH]c2c1C=C=CC=C2)c1ccc(c(c1)C)C)/c1ccc(c(c1)C)C	SCHEMBL19057840	445.595	WXINRDOGYBDNNM-YBPWQOKASA-N	00000000100000110110000000000010000000000000000000000000	31-01-136148
O=C[C@@H](N1C(CCCCCCCCCCCC(=O)c2[nH]c(C1=O)cc2)C(=O)N)CC(C)C	PC-id_140694553	445.595	SURFVRZRFHHUJF-YDNXMHBPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136149
O=C[C@@H](NC(=O)[C@@H]1CCCCCCCCCCCC(=O)c2[nH]c(C(=O)N1)cc2)CC(C)C	SCHEMBL15739771,PC-id_75204467	445.595	UBRJIIRUBZATOE-FPOVZHCZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136150
[O-]C(=O)[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCCC2	PC-id_28251625,GD-id_ZINC19645130	445.595	UASDFTWFYUAHPZ-SJORKVTESA-M	00000000100010000100000000000010000000000000000000000000	31-01-136151
s1c2c(c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)NC1CCCCC1)CCCCC2	PC-id_74552251	445.595	UASDFTWFYUAHPZ-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-136152
s1c2c(c(c1NC(=O)[C@@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)NC1CCCCC1)CCCCC2	PC-id_28251616	445.595	UASDFTWFYUAHPZ-DLBZAZTESA-M	00000000100010000100000000000010000000000000000000000000	31-01-136153
s1c2c(c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)NC1CCCCC1)CCCCC2	PC-id_28251619	445.595	UASDFTWFYUAHPZ-IRXDYDNUSA-M	00000000100010000100000000000010000000000000000000000000	31-01-136154
s1c2c(c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)NC1CCCCC1)CCCCC2	PC-id_28251622	445.595	UASDFTWFYUAHPZ-IAGOWNOFSA-M	00000000100010000100000000000010000000000000000000000000	31-01-136155
s1c(NC(=O)C2C3CC(C2C(=O)[O-])CC3)c(c2c1CCCCCCCCCC2)C(=O)N	PC-id_74712972	445.595	BVGGTJJWFYUXAB-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-136156
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCCCCCC2)C(=O)N	PC-id_40738330	445.595	BVGGTJJWFYUXAB-OHQAAIJDSA-M	00000010100010000100000000000110000000000000000000000000	31-01-136157
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCCCCCC2)C(=O)N	PC-id_40738332	445.595	BVGGTJJWFYUXAB-PDWMJMLSSA-M	00000010100010000100000000000110000000000000000000000000	31-01-136158
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)CCCC)sc2c(CCCCC2)c1C#N	MCULE-7774026378,PC-id_3709633,ZINC22_9445368,EMOLS-id_4950623,CoCoCo_5026011	445.598	RZVXTDUOONYYOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136159
c1(NC(=S)NC(=O)c2ccc(cc2)OCCC)sc2c(CCCCCC2)c1C(=O)N	ZINC22_2316528,STOCK2S-75620,TIMTEC398436,PC-id_1933119,CoCoCo_1740208,EMOLS-id_4457261,MCULE-7035132627	445.598	QEFVPLAINWNSGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136160
c1(sc2c(CCCCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)c1ccc(cc1)O	MCULE-6726868643,PC-id_17375119,CoCoCo_6810046,ZINC22_19643952,EMOLS-id_4132644,TIMTEC583054	445.598	YWDLEVHDKZEBAL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136161
c1(sc2c(CCCCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)c1ccccc1O	ZINC22_19643948,PC-id_17374221,CoCoCo_6809731,EMOLS-id_4132640,MCULE-8671862758,TIMTEC332038	445.598	NHZILENGBMJFEV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136162
c1(sc2c(CCCCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)c1cccc(O)c1	PC-id_17375118,CoCoCo_6810045,ZINC22_19643946,EMOLS-id_4132638,TIMTEC598196,MCULE-2810448222	445.598	ZMYABACVYDZRRC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136163
CC(C)COc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)c1	PC-id_20166121,ZINC22_32125158	445.598	QDPRKFVGGXGLNN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136164
CCCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)c1	ZINC22_32125098,PC-id_20166120	445.598	KOYQFEKRNWXGKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136165
CCCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1	PC-id_20166126,ZINC22_32125075	445.598	MNVRWJWOPAMSPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136166
COc1ccccc1N1CCN(CC1)CCCC(=O)c1sc2c(c1)C(=O)NCCS2	PC-id_21471808,SCHEMBL8991861	445.598	MTOSVZMQAMXTIR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136167
O=C(CC(C(C)(C)C)C(=O)NC)c1nc(n2c1CN(CCC2)C)C=CCN1CCOCC1	PC-id_76657206	445.598	LCVTVOUKZNGHCE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136168
O=C(C[C@@H](C(C)(C)C)C(=O)NC)c1nc(n2c1CN(CCC2)C)/C=C/CN1CCOCC1	PC-id_58135618	445.598	LCVTVOUKZNGHCE-JHTBKMLMSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136169
O=C(Nc1ccc(S(=O)(=O)/N=C/2CCCCCN2)cc1)c1cc2c(s1)CCCCC2	PC-id_4849060,CoCoCo_3340982,CoCoCo_3340981,EMOLS-id_26078887,ZINC22_9509183	445.598	FRGHLHQQZBLFNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136170
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(N(C)C(=O)C)cc1)C(=O)OCC	PC-id_19649211	445.598	CCYUHVNGISPZMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136171
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCCN(C1)C(=O)c1sccc1	PC-id_46556918	445.598	NAQJJNCMJAFKDK-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-136172
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)c1sccc1	PC-id_24643163	445.598	HKLRUTYHBDHJFJ-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-136173
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1N(CCC1)C(=O)Cc1sccc1	PC-id_60572544	445.598	LVBUIUAEWNNVLN-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-136174
s1c2CCCCCCc2cc1C(=O)NNC(=O)CSCC(=O)Nc1cc(ccc1)C	PC-id_26636073	445.598	QMLFLSMVDUXDQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136175
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(N(C)C(=O)C)cc1)C(=O)OC	PC-id_19649204	445.598	CYCODEWMRYMNAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136176
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(NC(=O)C)cc1)C(=O)OCC	PC-id_20414249	445.598	CFHGMNMFYIYLDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136177
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(NC(=O)C)ccc1)C(=O)OCC	PC-id_19678510	445.598	XHMCFWKTTIJFQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136178
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(cc3)c3ccccc3C)CCn12	EMOLS-id_20515809,MCULE-1861469794,PC-id_45197097	445.6	MMPFGENWQWECRC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136179
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3cccc(c4ccccc4C)c3)CCn12	MCULE-6920187144,PC-id_45209327,EMOLS-id_20569225	445.6	GTDVXILVRKNINQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136180
Cc1c(cc(cc1)N1CCN(CC1)CCCN(C)C)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478288	445.6	WKWIIITYCYOOQV-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-136181
Cc1cc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C	ZINC22_14878633,CoCoCo_1189300,PC-id_26274338,CoCoCo_1189301	445.6	BAGKDXNTTQDNSI-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136182
Cc1cc(C)c(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C	ZINC22_14878634,CoCoCo_1189302,CoCoCo_1189303,PC-id_26274340	445.6	BAGKDXNTTQDNSI-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136183
CC(C)c1ccc(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)cc1	PC-id_45184981,MCULE-9998624528,EMOLS-id_20462917,ChEMBL-DNDi_CHEMBL21091765	445.6	OZMMAFGQGISWLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136184
CC(C)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	CoCoCo_1218181,CoCoCo_1218182,ZINC22_11782205,PC-id_28738621	445.6	OZMMAFGQGISWLS-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136185
CC(C)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	CoCoCo_1218183,ZINC22_11782206,PC-id_28738624,CoCoCo_1218184	445.6	OZMMAFGQGISWLS-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136186
CC(CC(c1nnc2n1CCN(CC2)CC(c1ccccc1)c1ccccc1)NC(=O)C)C	MCULE-6404943591,PC-id_45200649,EMOLS-id_20531397	445.6	LUTAUWIHFRRNRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136187
CC(C[C@H](c1nnc2n1CCN(CC2)CC(c1ccccc1)c1ccccc1)NC(=O)C)C	PC-id_42423077,CoCoCo_1316504,CoCoCo_1316503	445.6	LUTAUWIHFRRNRU-RUZDIDTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-136188
CC(C[C@@H](c1nnc2n1CCN(CC2)CC(c1ccccc1)c1ccccc1)NC(=O)C)C	PC-id_42423086,CoCoCo_1316506,CoCoCo_1316505	445.6	LUTAUWIHFRRNRU-VWLOTQADSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136189
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(c3ccccc3C)cc1)CC2)C(C)C	CoCoCo_1294157,ZINC22_11999555,CoCoCo_1294156	445.6	MMPFGENWQWECRC-AREMUKBSSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136190
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(c3ccccc3C)cc1)CC2)C(C)C	ZINC22_11999554,CoCoCo_1294158,CoCoCo_1294159	445.6	MMPFGENWQWECRC-SANMLTNESA-N	00000000100000110101100000000010000000000000000000000000	31-01-136191
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1cccc(c3ccccc3C)c1)CC2)C(C)C	CoCoCo_1371936,PC-id_26343356,ZINC22_14988815,CoCoCo_1371935	445.6	GTDVXILVRKNINQ-SANMLTNESA-N	00000000100000110101100000000010000000000000000000000000	31-01-136192
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cccc(c3ccccc3C)c1)CC2)C(C)C	ZINC22_14988817,CoCoCo_1371933,PC-id_26343358,CoCoCo_1371934	445.6	GTDVXILVRKNINQ-AREMUKBSSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136193
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3cc(C)c(C)cc3C)CCn12	MCULE-9879109247,PC-id_45180124,EMOLS-id_20441885,ChEMBL-DNDi_CHEMBL17714774	445.6	BAGKDXNTTQDNSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136194
CN(CCCN1CCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C)C	SCHEMBL13076932	445.6	WKWIIITYCYOOQV-SGWCAAJKSA-N	00000010100010110111100000000010000000000000000000000000	31-01-136195
c12sc(cc1c(=O)[nH]c(CSCCNC(=O)c1c3CCCCCc3[nH]n1)n2)C(C)C	MCULE-3308947024,EMOLS-id_323252923	445.601	MASNTWQMICCDDT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-136196
CC(C[C@@H](c1nnc2n1CCN(CC2)C(=O)/C=C/c1cccs1)NC(=O)C[NH+](C)C)C	GD-id_ZINC14953687	445.601	JASQSVVFVNYCFW-DVBCCOPCSA-O	00000000100100000101000000000010000000000000000000000000	31-01-136197
CCN(CC)S(=O)(=O)c1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)cc1	ZINC22_9477732,CoCoCo_3890604,PC-id_16341247,MCULE-5812860432,EMOLS-id_3570506	445.601	GMCPISOZEKGIGU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136198
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(CC1)C(=O)N1CCOCC1	PC-id_111346421	445.601	MXORFTLAFGCJFT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136199
O=C1N(CCCCN2CCN(CC2)c2ncccn2)CCSc2c1cc(s2)C(=O)C	SCHEMBL9039129,PC-id_19881118	445.601	XKVICOVZGQOEHX-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-136200
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s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1ncccn1)C(=O)OCC	PC-id_19654900	445.601	YXKVIUPDFHHIOP-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-136202
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1ncccn1)C(=O)OC	PC-id_19654897	445.601	VLJWIIRDXSEMHG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-136203
Cc1nc(=NC2CCC(CC2)N)c2c([nH]cc2)nc1Nc1ccc(cc1)N1CCCCCC1	PC-id_137122966	445.603	ZBAUWCJGZQYOBX-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-136204
CC(c1ccc(c2-c(c1)c(C)cc2C(=O)O[C]1C=C(C(=O)C=C1C(C)(C)C)C(C)(C)C)C)C	PC-id_101252226	445.613	BFRDHMUKOQWKNG-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-136205
c1(sc2c(CCCCCC2)c1C(=O)OC)NC(=S)N1CCN(CC1)S(=O)(=O)C	PC-id_2205625,EMOLS-id_2239729,MCULE-8366104702,TIMTEC388471,ZINC22_2851919,CoCoCo_990904	445.62	PSZHUFYZFYTFRI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136206
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_19687960	445.62	ALEOVAGCFOXJHO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136207
Cc1c(C)c(C)c(S(=O)(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c(C)c1C	PC-id_17436443,EMOLS-id_12017639,ZINC22_23990303,MCULE-7830406119,CoCoCo_4490999	445.621	TXJIJWGWJYNYGM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136208
CCOC(=O)c1c(NC(=S)N2CCN(CC2)c2cccc[nH+]2)sc2c1CCCCC2	PC-id_2208129,GD-id_ZINC16346393	445.621	SWQKVXRMOQNUFZ-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-136209
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)CC(=O)N(CC)CC)C#N	PC-id_78827690	445.621	HYEGOASRKFERRE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136210
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)CC(=O)N(CC)CC)C)C#N	PC-id_78828729	445.621	NORWMXXRIJARRB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136211
s1c2c(CCCCC2)c(c1NC(=S)Nc1sc2c(n1)cc(c(c2)C)C)C(=O)OC	PC-id_20180490	445.621	SPTLGLWMEGNCRG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-136212
CCNC(=NCC(c1cccs1)N1CCOCC1)NCCc1nnc2n1CCCCC2	PC-id_111284735	445.625	YPJXGLFHENAXQI-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-136213
CN=C(NCC(c1cccs1)N1CCOCC1)NCCCc1nnc2n1CCCCC2	PC-id_111284825	445.625	DMQHIWBDSFPVER-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-136214
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)c1snc(n1)CC	PC-id_109526537	445.628	JMPMSHUODVFCLE-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-136215
COc1ccccc1N1CCN(CC1)CCCCN1CCSc2c(C1=O)cc(s2)C	PC-id_19881061,SCHEMBL9037998	445.641	JQRIQBKJVYOTGY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136216
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(N(CC)CC)cc1)C(=O)OCC	PC-id_20414835	445.641	FILDMRAEHKMMOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136217
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(N(CC)CC)cc1)C(=O)OC	PC-id_20414828	445.641	YUHPMJYMEYTOCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136218
S1CCN(CCCCCCN2CCN(CC2)c2ncccn2)C(=O)c2c1sc(c2)C	PC-id_19881138	445.644	ONTFQVFFHXCAMJ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-136219
CCNC(=NCC1(CCCCC1)N1CCOCC1)NCCCc1nnc2n1CCCCC2	PC-id_111003673	445.645	JYQGUOWOGBFAMA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-136220
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCN(CC1)C(=O)C(CC)CC	PC-id_112077076	445.645	PXHIAMTUHQIZGM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136221
CN=C(NCC1(CCCCC1)CN1CCOCC1)NCCCc1nnc2n1CCCCC2	PC-id_112086875	445.645	ZGQJKCJXKNZDLS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136222
CN=C(NCc1nnc2n1CCCCC2)NCCOc1c(Cl)cc(cc1Cl)Cl	PC-id_109464180	445.774	KWCNRDXSYLWRCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136223
CCOC(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_90462844,SCHEMBL16102646	445.82	LGLUJONFZFUNLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136224
Clc1c(NC(=O)COC(=O)c2sc3CCCCCCc3c2)c(ccc1)C(F)(F)F	PC-id_16512682	445.883	OFXSFNRUFHAJBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136225
c1(NC(=O)CCC(=O)Nc2ccc(c(C(F)(F)F)c2)Cl)sc2c(CCCCC2)n1	EMOLS-id_335143459,MCULE-2206928017	445.886	JMYKKAQTBBUOIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136226
c1(NC(=O)CCC(=O)Nc2c(Cl)ccc(c2)C(F)(F)F)sc2c(CCCCC2)n1	EMOLS-id_335091505,MCULE-8682217046	445.886	NJHKUQDAIJJDFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136227
Clc1c(CN2CCn3c(nnc3CCNC(=O)c3ccc(F)cc3)CC2)c(F)ccc1	PC-id_29255725	445.893	POMSJRIUKBWUMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136228
COc1ccc(NC(=O)C2CCc3nn(Cc4c(C)noc4C)c(=O)n3CC2)cc1Cl	MCULE-2312674988,EMOLS-id_207876716	445.899	KKIQTSLRVADMQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136229
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cc(Cl)ccc2O)CC3)o1	MCULE-4988990704,EMOLS-id_232745474,ZINC22_14992052,CoCoCo_1383782,CoCoCo_1383781,PC-id_26347064	445.899	QSWHPFPRLOPNAL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-136230
N#Cc1c(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)sc2c1CCCCC2	ZINC22_3294851,MCULE-7060058437,PC-id_2410426,EMOLS-id_43702777,CoCoCo_2857393	445.909	CJXVHELQIMGMNP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-136231
Clc1ccc(C(=O)NCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_24367193	445.919	JOFGQCORHMZJEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136232
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCOCC1)c2)Cc1ccc(cc1)Cl	EMOLS-id_32632876,PC-id_53007952,MCULE-1030320396	445.942	SCJKZKVUQGOQDI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136233
C/C=C/1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)Cl)CNC(=O)OC(C)(C)C	PC-id_143188817	445.942	WSDJVCLAGCYKFY-UBKPWBPPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136234
CC(C)c1ccc2-c(c(cc2CCCS(=O)(=O)Nc2ccc(Cl)cc2)C(=O)O)cc1	BindingDB_PC-id_44291693,CHEMBL47658,PC-id_44291693	445.959	VEMJQFPYGMUDGO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136235
CCC(C(c1ccc2-c(cc1)ccc2C(=O)OC)C)NS(=O)(=O)c1ccc(cc1)Cl	PC-id_139605634	445.959	AWXJCXPOORMNTF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136236
Clc1ccc(OCc2scc(n2)CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55535345	445.966	DFCKTWQWDFGTNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136237
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(CC(=Cc3ccccc3)Cl)CCn12	PC-id_45929566,MCULE-3214061285	445.985	HXSJKOWKWWVJBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136238
Clc1c(c2scc(n2)CC(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_46656980	445.985	FIRLGJDDLKMFBR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136239
COCC(=O)NC(CC(C)C)c1nnc2CCN(C/C(=C/c3ccccc3)/Cl)CCn12	EMOLS-id_232716371	445.985	HXSJKOWKWWVJBX-RGEXLXHISA-N	00000000100000110101000000000010000000000000000000000000	31-01-136240
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2	ZINC22_14886610	445.985	HXSJKOWKWWVJBX-STIKNRRDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136241
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2	ZINC22_14886613	445.985	HXSJKOWKWWVJBX-GRTQGXPSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136242
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)c1cc(Cl)ccc1OC	PC-id_111917195	445.989	WEIRHIHWTCJQDW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136243
CN=C(NC1CCN(C1)c1cc(Cl)ccc1OC)NCCc1nnc2n1CCCCC2	PC-id_111917213	445.989	DEXJQPQKLVYNAI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136244
CCCC(=O)CC1CCC(CC1)CCN2CCC3=C(CC2)SC(=N3)OCC(F)(F)F	PC-id_161287096	446.221	VFWAXNLGIGVHGE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136264
c1(C(=O)NC(=S)Nc2sc3c(CCCCC3)c2C#N)c(Cl)c2c(cccc2)s1	MCULE-7508626253,STOCK3S-00547,ZINC22_2318200,EMOLS-id_1220742,PC-id_1934527,TIMTEC127247,CoCoCo_70933	446.009	DNQUZDZOCIEGDV-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-136245
CCN(C(c1ccccc1Cl)CNC(=NC)NCCc1nnc2n1CCCCC2)CC	PC-id_111323840	446.032	SPZHDBHCADDUIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136246
CCNC(=NCc1nnc2n1CCCCC2)NCC(c1ccccc1Cl)N(CC)CC	PC-id_111323950	446.032	MHUZNIXBVUGGRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136247
c1(C(=O)NCCCN2CCN(CC2)c2c(C)ccc(Cl)c2)csc2CCCCCc12	CoCoCo_2171624,MCULE-6126856023,EMOLS-id_16062903,PC-id_20881894,CoCoCo_2171625	446.048	LFVGJYLUSVDDDS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136248
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2=O)C(C(F)(F)F)O	PC-id_154682000	446.067	GVQPIFOCVJEMHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136249
CC(C)(C#CC1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682060	446.106	XZFCUOPEHMHPNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136250
CC(C)(C#C[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682142	446.106	XZFCUOPEHMHPNO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136251
CC(C)(C#C[C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155062008	446.106	XZFCUOPEHMHPNO-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136252
CC(C)C1=CC=C2C(=C(C=C2S)CCCCCS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1	PC-id_161007161	446.114	TWQPLEKOKFERDB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136253
CC1(C=Cc2c(C=C1)sc(c2)S(=O)(=O)NI)Br	SCHEMBL20114491,PC-id_134476090	446.122	LVWKPUVDNMTWSJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-136254
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CC3=C(CCNC(=O)C2=O)C=NO3	PC-id_162013003	446.151	YTSMGDVTOIDDRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136255
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CC3=C(CCNC(=O)C2=O)N=CO3	PC-id_146852460	446.151	SIXXLZKGCJIHSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136256
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CC3=C(CCNC(=O)C2=O)ON=C3	PC-id_147886596	446.151	IBLLJVOSJPZAFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136257
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CCC3=C(CNC(=O)C2=O)N=CO3	PC-id_147703799	446.151	GTJMHSMOFHQGRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136258
CC1CN2C(=CC(=N2)NC(=O)C3CCOC3)CCC1=CC(=O)NC4=CC(=C(C=C4)F)Cl	PC-id_153574544	446.152	YMWIZOCXGKPOOT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-136259
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CC3=NC=NN3CCNC(=O)C2=O	PC-id_148803939	446.162	OOOUYNNNDKEQSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136260
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CC3=NN=CN3CCNC(=O)C2=O	PC-id_146957810	446.162	AJZGILDOHFJRQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136261
C1CN(CCN2C1=CC(=N2)C(=O)N3CCC4=NNN=C4C3)C(=O)COC5=CC=C(C=C5)C#N	PC-id_149944984	446.181	CQAFONNTECRLHY-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-136262
CCN(CC)S(=O)(=O)c1cc(c(cc1)OC)CC(=O)c1c2CCCCC(=O)c2c([nH]1)C	PC-id_163564036	446.188	GVEYYKKXEAANID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136263
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CCC1=C(C(=NO1)CC)C(=O)OCCCN2C3=C(C(=N2)CC)C(=O)NCCCOCCC3	PC-id_155203611	446.253	HRZMVSIQZXHZJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136266
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BrCc1cc2n(n1)CCCN(C2)C(=O)OCc1cc(C)cc(c1)C(F)(F)F	PC-id_144720871	446.262	OEPFXNKPMXVKDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136268
Brc1ccc(Cn2nc(NC(=O)Cn3nc4n(CCCCC4)c3=O)nc2)cc1	PC-id_56222630	446.301	GECSVTXGABZSIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136269
[B]c1cc(cc2c1NC(=O)C2=Cc1c(c2c([nH]1)CCCN(C2=O)CCN1CCCCC1)C)F	PC-id_89099147	446.325	MZPWGIKEHNTJPW-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-136270
CCCCOC1=CCCC(=N)c2c(N1)n(c(n2)OC)CCCN1CCN(CC1)CC(C)C	PC-id_163655310	446.337	OLFRWAQLXWGTQY-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-136271
Brc1ccc(cc1)C(=O)N1CCCC1C(=O)NCc1nnc2n1CCCCC2	MCULE-7298666282,PC-id_56315318,EMOLS-id_320295414	446.341	QPRHNLPGPCVXHM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-136272
Brc1cc(N2CCC(C2=O)C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_60496210	446.341	OVPBRPWUQIGAFW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136273
Brc1cc(N2CC[C@@H](C2=O)C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52673256	446.341	OVPBRPWUQIGAFW-MRXNPFEDSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136274
Brc1cc(N2CC[C@H](C2=O)C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52673257	446.341	OVPBRPWUQIGAFW-INIZCTEOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136275
Brc1c(N2CC(CC2=O)C(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_55575949	446.341	USVZOEYVDZRGQY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136276
O=C(NCc1nnc2n1CCCCC2)[C@H]1CCCN1C(=O)c1ccc(Br)cc1	ZINC22_72059505	446.341	QPRHNLPGPCVXHM-MRXNPFEDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-136277
O=C(NCc1nnc2n1CCCCC2)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1	ZINC22_72059506	446.341	QPRHNLPGPCVXHM-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-136278
Clc1c(c2noc(c2C(=O)Nc2sc3CCCCCc3c2C#N)C)c(Cl)ccc1	PC-id_5153178	446.35	FELCMPUQFZZSPF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136279
Clc1ccc(NC(=O)c2nc3CCN(CCc3s2)C(=O)c2cccc(Cl)c2)cc1	ZINC22_2055785422,EMOLS-id_313790524	446.35	JWXSIOFZNXUGCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136280
c1(NC(=O)CON=C(C)c2ccc(cc2)Br)sc2c(CCCCC2)c1C#N	MCULE-7910819448,PC-id_3713819	446.361	RZKMYTZIOJIAPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136281
C/C(=NOCC(=O)Nc1sc2c(c1C#N)CCCCC2)/c1ccc(Br)cc1	TIMTEC440689,EMOLS-id_26269540,PC-id_5902154,ZINC22_8952264,CoCoCo_5951656,STOCK2S-30455	446.361	RZKMYTZIOJIAPY-ZMOGYAJESA-N	00000000100000110100000000000010000000000000000000000000	31-01-136282
N#Cc1c(NC(=O)CO/N=C(c2ccc(cc2)Br)/C)sc2c1CCCCC2	CoCoCo_5951657	446.361	RZKMYTZIOJIAPY-CFRMEGHHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136283
CN=C(NC1CCN(C1)c1ccc(cc1)Br)NCc1nnc2n1CCCCC2	PC-id_111917841	446.387	SRHSHWSTZUUUOK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136284
CN=C(NC1CCN(C1)c1ccccc1Br)NCc1nnc2n1CCCCC2	PC-id_111922379	446.387	REGLSMAFAZUTDT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136285
NC(Cc1cc(F)c(cc1F)F)C/C/1=N/N=C/c2cc(nn2CCCN1C)C(F)(F)F	PC-id_143192117	446.393	DCWZVLRHZMNMFP-HDORLVLZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136286
CCC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(c1C(=O)OC)CCCCC2	TIMTEC333147,STOCK1S-69567,CoCoCo_1954414,ZINC22_3671512,MCULE-4191469285,EMOLS-id_4403629,PC-id_3726474,ChEMBL-DNDi_CHEMBL8010-5390	446.408	NJFNQZKPOPIGQD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-136287
CN1CCNc2c(C1=O)n(c(n2)COc1ccccc1OC(F)(F)F)Cc1ccccc1	PC-id_134808313	446.422	OTZRJROXXYYVHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136288
Cc1cc(=O)c(C(=O)NCc2nnc3n2CCCCC3)nn1c1ccccc1C(F)(F)F	EMOLS-id_23989970,PC-id_40075481,CoCoCo_4336682,ZINC22_32841623,MCULE-1773071222	446.426	LZOMHCOJUURAJV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136289
FC(F)(F)Oc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1	ZINC22_12048494,MCULE-5553745229,EMOLS-id_20615547,CoCoCo_1441382,CoCoCo_1441383,PC-id_42376265	446.426	WFSXTNPFACDAOQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136290
FC(F)(F)Oc1ccc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1	EMOLS-id_20471819,ChEMBL-DNDi_CHEMBL22585317,MCULE-5822859110,PC-id_28954522,ZINC22_20450815	446.426	NZWKLSOQWBVJFH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136291
N=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)Cc1ccccc1C(F)(F)F	PC-id_145225225	446.429	ULAQGTVSPOYDLE-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136292
Cc1ccccc1NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(C(F)(F)F)(F)F	SCHEMBL20541705,PC-id_135362967	446.434	KCEUFRJCFJHLPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136293
CCOC(=O)C1=CN(CC(c2c1[nH]c(c2)C(=O)OCC)(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL1653483,PC-id_11396671	446.444	ZVJNUNPODYKBIH-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-136294
Cc1c(cc(cc1)NC(=O)Nc1c(cc(cc1)F)F)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478331	446.449	AKECJDCMJNWBAC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136295
Cc1c(cc(cc1)NC(=O)Nc1c(cccc1F)F)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478333	446.449	NWKWBHNARGVKPP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136296
O=C(Nc1ccc(cc1F)F)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077207	446.449	AKECJDCMJNWBAC-RWPZCVJISA-N	00000010100000110110000000000010000000000000000000000000	31-01-136297
O=C(Nc1c(F)cccc1F)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077211	446.449	NWKWBHNARGVKPP-RWPZCVJISA-N	00000010100000110110000000000010000000000000000000000000	31-01-136298
s1c2CCCCCc2c(c1NC(=O)Cn1nc(nn1)c1cc(ccc1)C(F)(F)F)C#N	PC-id_46583261	446.449	YHXLXULSYXRGHP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136299
CCOC(=O)CONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	PC-id_15411824,SCHEMBL6875607	446.45	LLZNSKKDAGWCMS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-136300
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)NCc1ccc(cc1)C#N)[N+](=O)[O-]	PC-id_89580227,SCHEMBL14965856	446.459	ZXOPLSDJUZVNBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136301
O=C(OCc1ccc(cc1)C#N)N1CCc2cc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1	PC-id_118394571,SCHEMBL17113011,BindingDB-id_913855	446.462	RLQNNQXQAXRJKB-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-136302
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)N	PC-id_55573761	446.464	KUFBCDGLMWFZMP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136303
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1)C#N	PC-id_42967473	446.467	BZYRQJXMWVDCCD-DHZHZOJOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136304
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1ccc(OC(F)F)cc1)C#N	PC-id_74850971	446.467	BZYRQJXMWVDCCD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136305
O=C(c1n(C)cc2c1OCC(NS2=O)(C)Cc1cccnc1)Nc1ccc(c(c1)F)F	PC-id_139471059,SCHEMBL21337055	446.47	WUJONPQXUUKLEV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136306
O=C(c1n(C)cc2c1OCC(NS2=O)(C)Cc1ccncc1)Nc1ccc(c(c1)F)F	PC-id_139471315,SCHEMBL21337314	446.47	UIIGWGOVXULUPV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136307
c1(sc(nc1C)C)C(=O)N1CCn2c(CC1)nnc2CNC(=O)c1c(cccc1F)F	MCULE-7247987511,EMOLS-id_20387712,ZINC22_11838402,CoCoCo_1115394,PC-id_42209871	446.474	ORLRGWQTJVYFRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136308
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1F)C(F)(F)F)C(=O)OC	PC-id_20409581	446.482	WJQSIDKYDGLCNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136309
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(F)c(F)cc(F)c1F)C(=O)OCC	PC-id_20413347	446.482	WBOLGZNBCUFDSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136310
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(F)c(F)cc(F)c1F)C(=O)OC	PC-id_20413340	446.482	JCISPSHVKSLOIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136311
CO[C@H]1CN(CC(c2c([C@@H]1OC)n(nn2)C(C)C)(F)F)C(=O)CCC(=O)OC(C)(C)C	SCHEMBL21167143,PC-id_139320984	446.489	HJYPTVWIUZIYFX-SUMWQHHRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136312
O=C(C(c1ccccc1)Sc1nnc2n1CCCCC2)Nc1cccc(c1)C(F)(F)F	EMOLS-id_11710253,PC-id_16292449,MCULE-1855636574	446.489	WVYFYHZDEWXHSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136313
O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_13110050,CoCoCo_3082239,PC-id_25713823	446.489	WVYFYHZDEWXHSM-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-136314
O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_13110051,PC-id_25713824,CoCoCo_3082238	446.489	WVYFYHZDEWXHSM-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136315
CCOCCON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)C	PC-id_23296719,SCHEMBL8160061	446.493	MUOMUOHRQOBVMM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-136316
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOC(OCC)(C)C	SCHEMBL8152092,PC-id_53686751	446.493	BKJSMZHCSGDWBS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-136317
C=CCOc1ccc(C(=O)N2CCCn3ncc(C(=O)Nc4ccc(OC)cc4)c3C2)cc1	ZINC22_1565556167,EMOLS-id_313765575	446.498	OYBKPALYQXIIMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136318
CN(CC(=O)NCc1cccnc1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049569,EMOLS-id_25388020,MCULE-9811593273	446.502	QBWAUTDYDCNXQD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136319
CN(CC(=O)NCc1ccncc1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-6224711261,EMOLS-id_25387684,PC-id_46049849	446.502	MSNISBXTHYPONG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136320
COc1cc(cc(c1)CNCc1c2CN(C(=O)CCn2nn1)Cc1ccccc1C#N)OC	PC-id_134808683	446.502	IYPFAMBQLDAUQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136321
n12CCN(CCc1nn(Cc1ccccc1)c2=O)C(=O)c1ccc(Cn2c(C)cc(C)n2)o1	EMOLS-id_97099546,MCULE-5458793693	446.502	DEJZTUNCBMAQGT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-136322
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)NCc1ncccc1)Cc1ccccc1	PC-id_46159890	446.502	UEZBIUAIBODDDF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136323
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCc1cccnc1)C)Cc1ccccc1	PC-id_46049561	446.502	UMJBJYNVKYLLJO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136324
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCc1ccncc1)C)Cc1ccccc1	PC-id_46049842	446.502	SRWIYNVOEPOLNA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136325
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCc1ncccc1)Cc1cc(ccc1)C	PC-id_42854991	446.502	LKYANHCYBBNRCB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136326
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCc1ncccc1)Cc1c(cccc1)C	PC-id_42855022	446.502	QWBJZYBVNFZUQN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136327
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCCc1ncccc1)Cc1ccccc1	PC-id_42855058	446.502	XQOSRLUEILWZJP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136328
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C)NCc1cccnc1	PC-id_92986941	446.502	UMJBJYNVKYLLJO-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136329
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C)NCc1cccnc1	PC-id_92986942	446.502	UMJBJYNVKYLLJO-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136330
CS(=O)(=O)c1cccc([C@@H](NCc2nnc3n2CCCCC3)c2ccc(F)c(F)c2)c1	ZINC22_491357391	446.513	YVBJSECJZWMUCS-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136331
CS(=O)(=O)c1cccc([C@H](NCc2nnc3n2CCCCC3)c2ccc(F)c(F)c2)c1	ZINC22_491357392	446.513	YVBJSECJZWMUCS-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136332
Fc1cc2C(=Cc3c4-c(c(c3)C)ccccc4OCCCN3CCOCC3)C(=O)Nc2cc1	PC-id_24783905	446.513	QCFHWEDVHXEFAH-UHFFFAOYSA-N	00000010100010100111000000001010000000000000000000000000	31-01-136333
Fc1cc2/C(=C/c3c4-c(c(c3)C)c(OCCCN3CCOCC3)cccc4)/C(=O)Nc2cc1	CHEMBL1258031,PC-id_52945818,SCHEMBL3283799,BindingDB_PC-id_52945818	446.513	NQGAFRZACOXEPU-KQWNVCNZSA-N	00000010100010100111000000001010000000000000000000000000	31-01-136334
Fc1cc2C(=Cc3c4-c(c(c3)C)c(OCCCN3CCOCC3)cccc4)C(=O)Nc2cc1	SCHEMBL3283801,PC-id_25264208	446.513	NQGAFRZACOXEPU-UHFFFAOYSA-N	00000010100010100111000000001010000000000000000000000000	31-01-136335
Fc1cc2C(=Cc3c4-c(c(OCCN5C(CCC5)CO)cccc4)c(c3)C)C(=O)Nc2cc1	PC-id_46898067	446.513	ZAXCRUCBIGQULY-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-136336
Fc1cc2/C(=C/c3c4-c(c(OCCN5[C@@H](CCC5)CO)cccc4)c(c3)C)/C(=O)Nc2cc1	BindingDB_PC-id_49800164,PC-id_49800164	446.513	ZAXCRUCBIGQULY-FVHJOOJJSA-N	00000010100000100110000000001010000000000000000000000000	31-01-136337
Fc1cc2C(=Cc3c4-c(c(OCCN5[C@@H](CCC5)CO)cccc4)c(c3)C)C(=O)Nc2cc1	PC-id_57398853,CHEMBL1258603	446.513	ZAXCRUCBIGQULY-FQEVSTJZSA-N	00000010100000100110000000001010000000000000000000000000	31-01-136338
Fc1ccc(cc1F)C(c1cccc(c1)S(=O)(=O)C)NCc1nnc2n1CCCCC2	PC-id_139000414,EMOLS-id_320404740,MCULE-5843831676	446.513	YVBJSECJZWMUCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136339
S(c1n2CCCCCc2nn1)CC(=O)c1c(n(c(c1)C)c1ccc(OC(F)F)cc1)C	PC-id_29513303	446.513	OOJXZEICUAYPQK-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-136340
c1(c2CCCCCc2n[nH]1)C(=O)N1CCNC(=O)C1Cc1ccccc1c1ccc(cc1)F	BDD-21868103,EMOLS-id_154447,MCULE-8811546396	446.517	QWDGHVSBYVNQBJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136341
c1(c2CCCCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1c(OC)ccc(OC)c1	ZINC22_8387405,MCULE-8677255350,EMOLS-id_2177018,CoCoCo_842838,ChEMBL-DNDi_CHEMBL1588981,PC-id_1234955	446.517	ARHTWGQZFOXPAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136342
c1(NC(=O)COC(=O)c2ccc(c(N)c2)OC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-5175070712,PC-id_53270042	446.517	KVOXNJLDYVDILM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136343
c1(NC(=O)COC(=O)c2ccc(c(N)c2)OC)sc2c(CCCCCC2)c1C(=O)OC	PC-id_53270051,MCULE-9907397819	446.517	UNEHSXPMVABDLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136344
COC(=O)c1c(NC(=O)COC(=O)c2[nH]c(C)c(C(=O)C)c2C)sc2c1CCCCC2	PC-id_4211967,MCULE-1577616975,CoCoCo_2810910,EMOLS-id_11821887,ZINC22_9912703	446.517	QBQXNCMUICWHRN-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-136345
O=C1NCCN(C(=O)c2[nH]nc3c2CCCCC3)[C@@H]1Cc1ccccc1c1ccc(F)cc1	ZINC22_257294883	446.517	QWDGHVSBYVNQBJ-HSZRJFAPSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136346
O=C1NCCN(C(=O)c2[nH]nc3c2CCCCC3)[C@H]1Cc1ccccc1c1ccc(F)cc1	ZINC22_257294884	446.517	QWDGHVSBYVNQBJ-QHCPKHFHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136347
s1c2c(CCCCC2)c(c1NC(=O)Cc1[nH]c(c(c1C(=O)OC)C)C(=O)C)C(=O)OC	PC-id_52638609	446.517	XSMYBIVMVWRTNV-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-136348
c1(C(=O)N2CCOCC2)nn(c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c1)C	PC-id_19615307,MCULE-5057221511,ZINC22_36612404,TIMTEC157659,EMOLS-id_8870503	446.52	FVNBLWCUPWTHSC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136349
COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc4n(c3)CCCNC4=O)CC2)cc1	ZINC22_1875341208	446.52	KZAPSDUMBWDJAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136350
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4cc5ccccc5[nH]4)CCn23)cc1	CoCoCo_1166251,ZINC22_19745475,PC-id_28313194,CoCoCo_1166250,MCULE-3133129705,GD-id_ZINC19745475,EMOLS-id_20425413	446.52	ZFHYYBGQFYMYDO-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-136351
O1CC(CC1)C(=O)NCc1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1OC	PC-id_74785850	446.52	QYYHFWXLWCFBES-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-136352
O1C[C@@H](CC1)C(=O)NCc1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1OC	PC-id_42246841	446.52	QYYHFWXLWCFBES-OAHLLOKOSA-O	00000010100000110101000000000010000000000000000000000000	31-01-136353
O1C[C@H](CC1)C(=O)NCc1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1OC	PC-id_42246842	446.52	QYYHFWXLWCFBES-HNNXBMFYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-136354
s1c2CCCCCc2c(c1NC(=O)COC(=O)CN1C(=O)C(NC1=O)(CC)CC)C#N	PC-id_45649038	446.52	PXFCYJKSLJMNRX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-136355
o1c(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)cc2c1cccc2	PC-id_42428975	446.522	KUWVUSIOSQWNCN-UHFFFAOYSA-O	00000000100000110101000001000010000000000000000000000000	31-01-136356
s1cc(nc1SC)C(=O)N1CCn2c(nnc2CNC(=O)c2cc(F)ccc2)CC1	PC-id_42421279	446.522	VHCLNVYNWMJYMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136357
COc1ccc2[nH]cc(CCNC(=O)C3CN(CCc4nnc(C)n34)S(=O)(=O)C)c2c1	EMOLS-id_313086877,MCULE-8961744002	446.523	VPGSAJPBWDOTPQ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-136358
s1c2CCCCCCc2c(c1NC(=O)CSc1[nH]c(=O)c(NC(=O)C)c([O-])n1)C#N	PC-id_51445507	446.523	ZQIASTCWNCBYAH-UHFFFAOYSA-M	00000000100000100101000000000010000000000000000000000000	31-01-136359
S(=O)(=O)(/N=C
/N(CCC1)C)c1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55968462	446.523	VOJKQCHKLJHBJB-PTGBLXJZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-136360
S(=O)(=O)(N=C1N(CCC1)C)c1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_76290324	446.523	VOJKQCHKLJHBJB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-136361
S(=O)(=O)(/N=C
/N(CCC1)C)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55881641	446.523	WUJXVZKPTIQVCI-PTGBLXJZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-136362
S(=O)(=O)(N=C1N(CCC1)C)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_76267882	446.523	WUJXVZKPTIQVCI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-136363
CNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)O)CCCc1ccc2-c1ccccc2)Cc1ccccc1	PC-id_18395276,SCHEMBL8485896	446.538	LDASCGGUMMGLIU-VWNXMTODSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136364
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)CC2)cc1	PC-id_26281736	446.538	SZUBOJZLKWHZKS-UTKZUKDTSA-O	00000010100000110101000000000010000000000000000000000000	31-01-136365
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)[C@@H]3CCOC3)C(C)C)CC2)cc1	PC-id_26281739	446.538	SZUBOJZLKWHZKS-DYESRHJHSA-O	00000010100000110101000000000010000000000000000000000000	31-01-136366
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3C(NC(=O)C3CCOC3)C(C)C)CC2)cc1	PC-id_74494457	446.538	SZUBOJZLKWHZKS-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-136367
O=C(NC(Cc1ccccc1)C(=O)NC)C(CCCc1c2-c(cc1)ccccc2)CC(=O)O	PC-id_19606549	446.538	LDASCGGUMMGLIU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136368
c1(NC(=S)NC(=O)c2ccc3c(OCO3)c2)sc2c(CCCCCC2)c1C(=O)OC	STOCK3S-37856,ZINC22_2373797,MCULE-3194446237,PC-id_1983767,GD-id_ZINC02373797,EMOLS-id_2459617	446.54	YVJLGLANLJHTMJ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-136369
s1c2CCCCCc2cc1C(=O)NNC(=O)c1oc2c(c1CS(=O)(=O)C)cccc2	PC-id_56396005	446.54	AGBORWUSFFUWTJ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-136370
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(ccc(S(=O)(=O)C)c1)C)C#N	PC-id_41481993	446.54	UVHQNAROAGZGSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136371
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(CS(=O)(=O)C)cc1)C#N	PC-id_41238472	446.54	HJVNGBIYPZQLGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136372
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)c1ccc(cc1)C(=O)OC)C(=O)OC	PC-id_24014695	446.54	UUQDNCCAVQBCBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136373
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OC(C)C)c2)Cc1cccc(C)c1	EMOLS-id_32633252,MCULE-3753059807,PC-id_53086406	446.541	FIPSYLVVIHECNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136374
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OCCCC)c2)Cc1ccccc1	MCULE-9417702553,PC-id_50798074,EMOLS-id_32846082	446.541	GPUNXPXQBNCTGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136375
c1(c2CCCCCc2n[nH]1)C(=O)N1CCOC(c2cccc(Cc3cccc(OC)c3)n2)C1	MCULE-9630327991,BDF-25250406,EMOLS-id_262575	446.541	YUEGADAMVBJUSE-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-136376
CCC1=C(N=c2c(=C(C1)COc1cccc(c1)N)cc[nH]2)Nc1ccc(cc1)OCCOC	PC-id_137155179	446.541	OVSDJUIKBJTQEC-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-136377
CCCCc1cccc(c1)Oc1nc2c(n1Cc1cccc(c1)C)CC(=O)N(C(=O)N2C)C	PC-id_144790933	446.541	NFKLMFRDOGCTMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136378
CC(Oc1ccc(cc1)CNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C	MCULE-3570720817,EMOLS-id_32846168,CHEMBL1331951,PC-id_16028420	446.541	YCWRQUXRVNLWEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136379
COc1cccc(Cc2cccc([C@@H]3CN(C(=O)c4[nH]nc5c4CCCCC5)CCO3)n2)c1	ZINC22_257337744	446.541	YUEGADAMVBJUSE-DEOSSOPVSA-N	00000000100010111101100000000010000000000000000000000000	31-01-136380
COc1cccc(Cc2cccc([C@H]3CN(C(=O)c4[nH]nc5c4CCCCC5)CCO3)n2)c1	ZINC22_257337745	446.541	YUEGADAMVBJUSE-XMMPIXPASA-N	00000000100010111101100000000010000000000000000000000000	31-01-136381
O(Cn1c2c(nc1N)CCN(C(=O)/C/2=C/c1cc(c(OC)c(c1)C)C)C)Cc1ccccc1	PC-id_49836961	446.541	OPZBGRFEHZOLAH-KGENOOAVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136382
O(Cn1c2c(nc1N)CCN(C(=O)C2=Cc1cc(c(OC)c(c1)C)C)C)Cc1ccccc1	PC-id_75300201	446.541	OPZBGRFEHZOLAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136383
C1CCc2c(CC1)sc(c2)C(=O)NNC(=O)CCN=C1c2ccccc2S(=O)(=O)N1	PC-id_135939162	446.543	LWAMIWNTFWZCHV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-136384
CC(=NNC(=O)c1c(NC(=O)C=Cc2ccc(s2)[N+](=O)[O-])sc2c1CCCCC2)C	PC-id_92046535	446.543	IVYCBOUMSPWDHT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-136385
CCOC(=O)c1c(c2ccco2)csc1NC(=O)CSc1nnc2n1CCCCC2	ZINC22_9284197,CoCoCo_3082201,MCULE-4279006943,EMOLS-id_3478131,PC-id_4856683	446.543	QKZBQFQZAFZIMT-UHFFFAOYSA-N	00000000101100000101100000000010000000000000000000000000	31-01-136386
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1occc1)C)C(=O)OC	PC-id_19724172	446.543	RLWMLXKQOJAFPF-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-136387
c1(c2CCCCCc2n[nH]1)C(=O)N1CCOC(C1)c1cc(cc(C)n1)Nc1cccc(C)n1	BDF-26224465,MCULE-7159216279,EMOLS-id_265745	446.545	SSAYZIURHGNANX-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-136388
c1(c2CCCCCc2n[nH]1)C(=O)N1CCOC(C1)c1cc(cc(C)n1)Nc1c(cccn1)C	EMOLS-id_265747,MCULE-4382405896,BDF-26224466	446.545	UDLCWJCAQFTRHV-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-136389
Cc1cccc(Nc2cc(C)nc([C@H]3CN(C(=O)c4[nH]nc5c4CCCCC5)CCO3)c2)n1	ZINC22_257305910	446.545	SSAYZIURHGNANX-JOCHJYFZSA-N	00000000100010101101100000000010000000000000000000000000	31-01-136390
Cc1cccc(Nc2cc(C)nc([C@@H]3CN(C(=O)c4[nH]nc5c4CCCCC5)CCO3)c2)n1	ZINC22_257305911	446.545	SSAYZIURHGNANX-QFIPXVFZSA-N	00000000100010101101100000000010000000000000000000000000	31-01-136391
Cc1cc(Nc2ncccc2C)cc([C@H]2CN(C(=O)c3[nH]nc4c3CCCCC4)CCO2)n1	ZINC22_257310035	446.545	UDLCWJCAQFTRHV-JOCHJYFZSA-N	00000000100010101101100000000010000000000000000000000000	31-01-136392
Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(C(=O)c3[nH]nc4c3CCCCC4)CCO2)n1	ZINC22_257310036	446.545	UDLCWJCAQFTRHV-QFIPXVFZSA-N	00000000100010101101100000000010000000000000000000000000	31-01-136393
CC([C@@H](c1nnc2n1CCN(CC2)C(=O)c1ccc(c(c1)C)C)NC(=O)c1ccccn1)C	CoCoCo_1125762,PC-id_42247423	446.545	VJRFQIVXRFPXOA-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136394
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(Oc2ccc(cc2)C(=O)N)cc1	PC-id_56545467	449.522	JPKSTRIDWAGKMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137491
CC([C@H](c1nnc2n1CCN(CC2)C(=O)c1ccc(c(c1)C)C)NC(=O)c1ccccn1)C	CoCoCo_1125763,PC-id_42247422	446.545	VJRFQIVXRFPXOA-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136395
C=CCOc1ccccc1CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	MCULE-3458178612,CoCoCo_1179193,PC-id_28391513,CoCoCo_1179192,ChEMBL-DNDi_CHEMBL16603464,EMOLS-id_20434755,ZINC22_19837916	446.545	SSBHKDQGRIGVKD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136396
COc1ccccc1/C=C/CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	ZINC22_12212733,PC-id_42468126,CoCoCo_1275909,ChEMBL-DNDi_CHEMBL28469801,EMOLS-id_25999257,CoCoCo_1275911	446.545	XTCNLVYWNWWXAP-VMPITWQZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136397
COc1ccccc1/C=CCN1CCn2c(CC1)nnc2CNC(=O)CCc1cccnc1	CoCoCo_1275908,CoCoCo_1275910	446.545	XTCNLVYWNWWXAP-YVMONPNESA-N	00000000100000111101000000000010000000000000000000000000	31-01-136398
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)CC=Cc1ccccc1OC	MCULE-6129383846,PC-id_74806150	446.545	XTCNLVYWNWWXAP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136399
O=C(N1CCn2c(nnc2CC1)C(NC(=O)c1ncccc1)C(C)C)c1cc(c(cc1)C)C	PC-id_45169364	446.545	VJRFQIVXRFPXOA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136400
O=C(NCCc1n2CCCCCc2nn1)Nc1ccc(CC(=O)N(c2ccccc2)C)cc1	PC-id_60488251	446.545	QRXHFGBYMKHQAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136401
CCOC(=O)/C(=C/c1cc(c2-c1cc(ccc2C)C(C)C)S(=O)(=O)OC(C)C)/C(=O)C	PC-id_102493966	446.556	JWORXLOITUJLOO-UDWIEESQSA-N	00000010100000000110000000000010000000000000000000000000	31-01-136402
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1c(F)cccc1)C(=O)OC	PC-id_2685236	446.558	DBRJWZVRCWDWHX-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-136403
c1(C(=O)N2CCC(CC2)c2cc(Cc3cccc(F)c3)cc(C)n2)c2CCCCCc2n[nH]1	MCULE-2045701879,BDE-25462377,PC-id_92616892,ZINC22_19691587,EMOLS-id_194107	446.56	RLDDXGQGOZFRET-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-136404
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCCCC2)c1C(=O)N	ZINC22_669370,TIMTEC192782,CoCoCo_900922,SPECS-id_AK-968/12687113,MCULE-4272847315,EMOLS-id_1773776,ChEMBL-DNDi_CHEMBL7253093,PC-id_1009426	446.56	HIZMQEGVTCOBBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136405
CC(c1ccc2-c(cc1)c(cc2CCCS(=O)(=O)Nc1ccccc1)S(=O)(=O)[O-])C	PC-id_91934736,BindingDB_PC-id_91934736,GD-id_ZINC29410469	446.56	XXPPVQBZMBJKKA-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-136406
COc1c(OC)cc(cc1OC)CCC(=O)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_25443844,EMOLS-id_43868453,CoCoCo_3415962,MCULE-4400564852	446.56	WENGACNDNJNNLT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136407
Fc1ccc(c2c(C=C3CCN(CC3)CCn3nc4n(CCCCC4)c3=O)cccc2)cc1	SCHEMBL10437030,PC-id_70366791	446.56	MGAFJBAUYZPWKG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136408
Fc1ccc(cc1)C(=C1CCN(CC1)CCn1nc2n(c1=O)CCCCC2)c1ccccc1	SCHEMBL9378323,CHEMBL59434,PC-id_15105350	446.56	GTHIDMDUSXUFPG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136409
OC(=O)CC1CCCCc2c1c(Cc1ccccc1S(=O)(=O)N1CCOCC1)c([nH]2)C	PC-id_68604219,SCHEMBL3341407	446.56	VWZARAHFVLFSPL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136410
OC(=O)Cn1c(C)c(c2c1CCCCC2)Cc1ccccc1S(=O)(=O)N1CCOCC1	PC-id_45255223,SCHEMBL3343389	446.56	SEZHUAWBEGQBCT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136411
Cc1cc2c(cc1/C=N/c1sc3c(c1C(=O)Nc1ccccc1)CCCCCC3)OCO2	ZINC22_409019296	446.561	WIESSZZGQOKWTO-JFLMPSFJSA-N	00000010100000110101000000001010000000000000000000000000	31-01-136412
COC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408972119	446.561	SGLFFSZWWIAMIQ-WPWMEQJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136413
s1c2c(CCCCC2)c(c1N(C(=O)Cc1ccccc1)C(=O)Cc1ccccc1)C(=O)N	PC-id_22305593	446.561	UWCNMJPHFYNNTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136414
c1(C(=O)N(CC)CC)nn(c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1)C	EMOLS-id_8870439,ZINC22_13961523,MCULE-6102821178,PC-id_17026705,CoCoCo_6596144	446.563	KZYBFSRHAPKMLH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136415
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C)CC(C)C)CC2)ccc(OC)c1OC)C	PC-id_42273962	446.563	PXHMBASWFHMCQA-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-136416
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C)CC(C)C)CC2)ccc(OC)c1OC)C	PC-id_42273964	446.563	PXHMBASWFHMCQA-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-136417
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C)CC(C)C)CC2)c(OC)cc(OC)c1)C	PC-id_26348887	446.563	LNGRAYYPEVEJJD-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-136418
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C)CC(C)C)CC2)c(OC)cc(OC)c1)C	PC-id_26348889	446.563	LNGRAYYPEVEJJD-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-136419
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COC)C(C)C)CC2)ccc(OC)c1C)C	PC-id_42466761	446.563	KIHZBHFSLZNSTN-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-136420
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Fc1ccc(cc1)CC1CCCCc2c1n(C)nc2/C=C/S(=O)(=O)NN1CCCCC1	SCHEMBL176419,PC-id_58882572	446.581	KHXFWVNAXBSEOX-DTQAZKPQSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136457
c1(NC(=S)NC(C)c2ccc3c(OCO3)c2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_2473359,MCULE-9602809130,PC-id_2957902,TIMTEC475885	446.583	UGLNRSBERQPRSV-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-136458
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1	CoCoCo_3254938,MCULE-8822574415,EMOLS-id_3603771,ZINC22_9642790,PC-id_16305070	446.583	NFJSSSJBYYESON-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136459
CCOC(=O)c1c(NC(=S)N[C@H](C)c2ccc3c(c2)OCO3)sc2c1CCCCC2	PC-id_2212122,ZINC22_2858780,CoCoCo_1003113	446.583	UGLNRSBERQPRSV-CYBMUJFWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-136460
CCOC(=O)c1c(NC(=S)N[C@@H](C)c2ccc3c(c2)OCO3)sc2c1CCCCC2	ZINC22_2858779,CoCoCo_1003112,PC-id_2212123	446.583	UGLNRSBERQPRSV-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-136461
CCOC(=O)NC(=O)c1c(NC(=O)Cc2ccc(cc2)SC)sc2c1CCCCC2	GD-id_ZINC09565348,PC-id_41126488	446.583	URFZCKVLVHSPOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136462
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s1c2c(CCCCC2)c(c1NC(=O)C1CCCN(C1)C(=O)c1sccc1)C(=O)OC	PC-id_75878081	446.583	VQBUOQZZUDCLSJ-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-136465
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(SCC)cc1)C(=O)NC(=O)OCC	PC-id_41044475	446.583	GVDFGEFZMWOXKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136466
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(SC(C)C)cc1)C(=O)NC(=O)OC	PC-id_41147730	446.583	YSQUAJYBLXIFDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136467
s1c2c(CCCCC2)c(c1NC(=O)C1CCN(CC1)C(=O)c1sccc1)C(=O)OC	PC-id_55763041	446.583	YKWUYWUZCWXOLK-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-136468
s1c2c(CCCCC2)c(c1NC(=O)c1cc(SCC)ccc1)C(=O)NC(=O)OCC	PC-id_41028613	446.583	KWZCEZUPGHBDRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136469
s1c2c(CCCCC2)c(c1NC(=O)c1cc(SC(C)C)ccc1)C(=O)NC(=O)OC	PC-id_41147199	446.583	YHBRZDGCDNOQGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136470
s1c2c(CCCCC2)c(c1NC(=O)c1c(SCC)cccc1)C(=O)NC(=O)OCC	PC-id_41028370	446.583	BLBHLRAGIRDXLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136471
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(SCC)cc1)C(=O)NC(=O)OC	PC-id_41139520	446.583	XQKXYHLDILVXBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136472
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccccc1)C(=O)NC(=O)OC	PC-id_41085976	446.583	XMZKDKPKXAGDMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136473
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]1CCCN(C1)C(=O)c1sccc1)C(=O)OC	PC-id_52598452	446.583	VQBUOQZZUDCLSJ-CQSZACIVSA-N	00000000100110000100000000000010000000000000000000000000	31-01-136474
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CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=CCN1CCOCC1)C	SCHEMBL1174083,PC-id_87208702	446.586	DZOXYUSZWDNGPJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136500
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)/C=C/CN1CCOCC1	SCHEMBL1174079,PC-id_57635710	446.586	DZOXYUSZWDNGPJ-CPSHHHPTSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136501
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=CCN1CCOCC1	SCHEMBL1174089,PC-id_66931729	446.586	DZOXYUSZWDNGPJ-HXUWFJFHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136502
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)CC=C)C(=O)OC	PC-id_19726893	446.586	PGLSPFWHLZMSMJ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-136503
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3cccnc3)CCn12	MCULE-4320249394,PC-id_45172718,EMOLS-id_20409888	446.588	UYJXWMFHOROHQH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136504
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cccnc2)CC3)c1	CoCoCo_1144933,PC-id_42405624,ZINC22_12097626,CoCoCo_1144932	446.588	UYJXWMFHOROHQH-HSZRJFAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136505
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cccnc2)CC3)c1	ZINC22_12097628,CoCoCo_1144934,PC-id_42405626,CoCoCo_1144935	446.588	UYJXWMFHOROHQH-QHCPKHFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136506
CCC(C)C(=O)NCc1nnc2CCN(Cc3ccc(cc3)N(C)c3ccccc3)CCn12	EMOLS-id_232789907,MCULE-8605949648,PC-id_45933374	446.588	OTUDJMGISQURQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136507
CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	ZINC22_15066789	446.588	OTUDJMGISQURQC-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136508
CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	ZINC22_15066791	446.588	OTUDJMGISQURQC-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136509
C[C@@H](c1nnc2n1CC[N@@H+](CC2)Cc1cc2c(s1)cccc2)NC(=O)c1ccccc1C	PC-id_42190967,GD-id_ZINC11814449	446.588	YIHVIMNWQXNXHE-SFHVURJKSA-O	00000000100000110101000001000010000000000000000000000000	31-01-136510
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(N(C)C)cc1)CC2	CoCoCo_1119378,CoCoCo_1119377,ZINC22_11840754,PC-id_42212563	446.588	AVVOBYHWXNPXBI-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136511
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(N(C)C)cc1)CC2	ZINC22_11840756,PC-id_42212566,CoCoCo_1119380,CoCoCo_1119379	446.588	AVVOBYHWXNPXBI-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136512
CCN(CC)c1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1	CoCoCo_1206576,EMOLS-id_20454559,CoCoCo_1206577,ZINC22_14883127,PC-id_26279100,MCULE-8425752035	446.588	HXGOPLJQBIFQLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136513
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccc(cc3)N(C)C)CCn12	EMOLS-id_20390666,PC-id_45168238,MCULE-8851330410	446.588	AVVOBYHWXNPXBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136514
CC(Oc1ccc(cc1)NC(=NCc1ccccc1C)NCc1nnc2n1CCCCC2)C	PC-id_111862557	446.588	ZROZNNOZHFPJNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136515
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(cccc3)C)C)CC2)cc2c1cccc2	PC-id_42190965	446.588	YIHVIMNWQXNXHE-GOSISDBHSA-O	00000000100000110101000001000010000000000000000000000000	31-01-136516
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(cccc3)C)C)CC2)cc2c1cccc2	PC-id_74777656	446.588	YIHVIMNWQXNXHE-UHFFFAOYSA-O	00000000100000110101000001000010000000000000000000000000	31-01-136517
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(c(N2CCOCC2)nn1)C)C)C#N	PC-id_55665192	446.589	QFZPYBKVULFNQA-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-136518
CN=C(N1CCN(CC1)CC(=O)N1CCOCC1)NCCCc1nnc2n1CCCCC2	PC-id_111367705	446.59	WADIFEMCDYZXSK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136519
FC/C=CC(=C/CC)C(=O)N(CC(c1c(CC(=O)OCC)[nH]c2c1CCCCC2)(C)C)C	PC-id_142993810	446.598	FEYPSZQLVKYXMQ-MDWFKHSNSA-N	00000000100000000100000000000010000000000000000000000000	31-01-136520
c1(c2CCCCCc2sc1NC(=O)C1CCCCC1C(=O)O)C(=O)NC1CCCCC1	MCULE-9259366559,PC-id_17377010,EMOLS-id_4133445,TIMTEC470739	446.603	UASDFTWFYUAHPZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-136521
c1(NC(=O)C2C3CCC(C3)C2C(=O)O)sc2c(CCCCCCCCCC2)c1C(=O)N	PC-id_4062965,TIMTEC87618,SPECS-id_AK-968/15609216,MCULE-9137304273,EMOLS-id_4133449	446.603	BVGGTJJWFYUXAB-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136522
c1(NC(=O)c2c(C)noc2C)sc2c(CCCCCCCCCCC2)c1C(=O)OCC	CoCoCo_1850131,ZINC22_8454839,MCULE-6846036682,SPECS-id_AK-968/41170118,TIMTEC394126,EMOLS-id_4133441,PC-id_4997762	446.603	PZIPMINZCHTYDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136523
NC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	PC-id_98286456,ZINC22_102164389	446.603	BVGGTJJWFYUXAB-SAKMYQHLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136524
NC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_102164394,PC-id_98286457	446.603	BVGGTJJWFYUXAB-LNMJFAINSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136525
CCCOc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1	ZINC22_408972175	446.604	TXZPNUQLRNPKKQ-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136544
NC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_239025591	446.603	BVGGTJJWFYUXAB-ILRDRHFLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136526
NC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_239025592	446.603	BVGGTJJWFYUXAB-STEAMIEHSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136527
NC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCC2	ZINC22_8456224,CoCoCo_6785492,PC-id_40738331	446.603	BVGGTJJWFYUXAB-OHQAAIJDSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136528
NC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCC2	ZINC22_8456225,PC-id_1017817,CoCoCo_6785487	446.603	BVGGTJJWFYUXAB-PDWMJMLSSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136529
O=C([C@H]1[C@H]2CC[C@@H]([C@@H]1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCCCCCC2	CoCoCo_6785488	446.603	BVGGTJJWFYUXAB-QXGSTGNESA-N	00000010100010000100000000000110000000000000000000000000	31-01-136530
O=C([C@H]1[C@H]2CC[C@@H]([C@H]1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCCCCCC2	CoCoCo_6785489	446.603	BVGGTJJWFYUXAB-QGWWYQLQSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136531
O=C([C@H]1[C@@H]2CC[C@H]([C@H]1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCCCCCC2	CoCoCo_6785490	446.603	BVGGTJJWFYUXAB-LVFSCSRESA-N	00000010100010000100000000000110000000000000000000000000	31-01-136532
O=C([C@@H]1[C@H]2CC[C@@H]([C@@H]1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCCCCCC2	CoCoCo_6785491	446.603	BVGGTJJWFYUXAB-SFUIVIKGSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136533
O=C([C@@H]1[C@H]2CC[C@@H]([C@H]1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCCCCCC2	CoCoCo_6785493	446.603	BVGGTJJWFYUXAB-OSGQAZFXSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136534
O=C([C@@H]1[C@@H]2CC[C@H]([C@H]1C(=O)O)C2)Nc1sc2c(c1C(=O)N)CCCCCCCCCC2	CoCoCo_6785494	446.603	BVGGTJJWFYUXAB-WTLGNFPFSA-N	00000010100010000100000000000110000000000000000000000000	31-01-136535
O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2	PC-id_28251620,CoCoCo_6831803,ZINC22_19645124	446.603	UASDFTWFYUAHPZ-IRXDYDNUSA-N	00000000100010000100000000000010000000000000000000000000	31-01-136536
O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_19645121,PC-id_28251617,CoCoCo_6831802	446.603	UASDFTWFYUAHPZ-DLBZAZTESA-N	00000000100010000100000000000010000000000000000000000000	31-01-136537
O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2	ZINC22_19645127,PC-id_28251623,CoCoCo_6831804	446.603	UASDFTWFYUAHPZ-IAGOWNOFSA-N	00000000100010000100000000000010000000000000000000000000	31-01-136538
O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2	ZINC22_19645130,PC-id_28251626,CoCoCo_6831801	446.603	UASDFTWFYUAHPZ-SJORKVTESA-N	00000000100010000100000000000010000000000000000000000000	31-01-136539
c1(NC(=O)CCCc2ccccc2)sc2c(CCCCC2)c1C(=O)NCc1ccccc1	MCULE-9205304245,TIMTEC411792,EMOLS-id_4133473,PC-id_4513859,CoCoCo_6798038,ZINC22_19645232	446.604	QTBOBWDNXYUDLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136540
CC(C)Oc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408970311	446.604	FSZFBQRPGQYOOS-MTDXEUNCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136541
CCCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408970651	446.604	JQVLFRLAYMCQJA-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136542
CC(C)Oc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1	ZINC22_408970095	446.604	AMEGEZOIUQQKQQ-MTDXEUNCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136543
CCCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408969564	446.604	QDTIAROPQUNMSG-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136545
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1)C1CS(=O)(=O)CC1	PC-id_56017282	446.604	PLHHRIDKYVZFPH-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-136546
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCCN(CC1)C(=O)OCC(C)C)C#N	PC-id_56360359	446.606	DTGPPMNLCGZIRJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136547
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(CCC1)CNC(=O)OC(C)(C)C)C#N	PC-id_60587994	446.606	KAVAPZJLNCMHTH-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-136548
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCCN(CC1)C(=O)OCC(C)C)C)C#N	PC-id_56360345	446.606	KYDMICSXNPKGAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136549
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCC(NC(=O)OC(C)(C)C)CC1)C)C#N	PC-id_60512811	446.606	LVCZYPVVPHBAQK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-136550
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc2c(n1)cccc2)C(=O)OCC	PC-id_3452727	446.606	PAIMDQVUXFYBPP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-136551
s1c2CCCCCCc2cc1C(=O)N(CCCC)c1c(n(CC(C)C)c(=O)[nH]c1=O)N	PC-id_52430051	446.606	NSYDOUXNYYUILV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-136552
s1c2CCCCCCc2cc1C(=O)N(CCCC)c1c(n(CCCC)c(=O)[nH]c1=O)N	PC-id_60398370	446.606	VDIAHPNSQXNCSH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-136553
s1c2CCCCCCc2cc1C(=O)N(CC(C)C)c1c(n(CCCC)c(=O)[nH]c1=O)N	PC-id_60401176	446.606	CDYZYRJSKIZNLV-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-136554
s1c2c(CCCCCC2)cc1C(=O)N(CC(C)C)c1c(n(CC(C)C)c(=O)[nH]c1=O)N	PC-id_60404667	446.606	XTRVCGQJVQLIFY-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-136555
s1c2c(CCCCCC2)c(c1NC(=O)CSc1sc2c(n1)cccc2)C(=O)OC	PC-id_19727812	446.606	IXSQFAGLMYJJPE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-136556
CC(C[C@@H](c1nnc2n1CC[N@H+](CC2)CC(c1ccccc1)c1ccccc1)NC(=O)C)C	PC-id_42423085,GD-id_ZINC12130981	446.608	LUTAUWIHFRRNRU-VWLOTQADSA-O	00000000100000110101000000000010000000000000000000000000	31-01-136557
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C(C)C)CC	PC-id_74498647	446.608	GTDVXILVRKNINQ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-136558
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)C)CCc1ccccc1	PC-id_74779779	446.608	OZMMAFGQGISWLS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-136559
O=C(NC(c1n2CC[NH+](CCc2nn1)CC(c1ccccc1)c1ccccc1)CC(C)C)C	PC-id_74802023	446.608	LUTAUWIHFRRNRU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-136560
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C(C)C)CC	PC-id_26343355	446.608	GTDVXILVRKNINQ-SANMLTNESA-O	00000000100000110101100000000010000000000000000000000000	31-01-136561
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C(C)C)CC	PC-id_26343357	446.608	GTDVXILVRKNINQ-AREMUKBSSA-O	00000000100000110101100000000010000000000000000000000000	31-01-136562
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)C)CCc1ccccc1	PC-id_42162124	446.608	OZMMAFGQGISWLS-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-136563
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)C)CCc1ccccc1	PC-id_42162125	446.608	OZMMAFGQGISWLS-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-136564
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)CC(c1ccccc1)c1ccccc1)CC(C)C)C	PC-id_42423076	446.608	LUTAUWIHFRRNRU-RUZDIDTESA-O	00000000100000110101000000000010000000000000000000000000	31-01-136565
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)CCc3cccs3)CCn12	PC-id_45170012,MCULE-7099605368,EMOLS-id_20398244,ChEMBL-DNDi_CHEMBL11387489	446.609	ALWRHRVSJPOAFC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-136566
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)CCc1cccs1)CC2	CoCoCo_1129434,ZINC22_11963390	446.609	ALWRHRVSJPOAFC-SFHVURJKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-136567
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)CCc1cccs1)CC2	ZINC22_11963386,CoCoCo_1129433	446.609	ALWRHRVSJPOAFC-GOSISDBHSA-N	00000000100100000101000000000010000000000000000000000000	31-01-136568
CCNC(=NCc1ccc(c(c1)C)S(=O)(=O)C)NCCCc1nnc2n1CCCCC2	PC-id_109752821	446.609	XUGBECQEBUEOJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136569
CCNC(=NCCCc1nnc2n1CCCCC2)NCCc1ccc(cc1)S(=O)(=O)C	PC-id_111614033	446.609	LDJIRXBIRJWCLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136570
O=C1N(CCCC[NH+]2CCN(CC2)c2ncccn2)CCSc2c1cc(s2)C(=O)C	GLL_PC-id_19881118	446.609	XKVICOVZGQOEHX-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-136571
s1c2CCCCCCc2nc1NC(=O)Cc1nc(sc1)NC(=O)Cc1sccc1	PC-id_56021856	446.609	PDDYCTKKVNZKGF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-136572
CC(c1ccc(c2-c(c1)c(C)cc2C(=O)Oc1cc(c(cc1C(C)(C)C)O)C(C)(C)C)C)C	SCHEMBL5833282,PC-id_9824839	446.621	ICCQKZQVEZUWQW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136573
Oc1c(C(C)(C)C)cc(OC(=O)c2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1C(C)(C)C	PC-id_60089266	446.621	SDQXWPJMWLGVLD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136574
C/C/1=CCC(=O)/C=C/C=Cc2csc([C@H](NC(=O)C[C@@](CC1)(S)C(C(=C)O)C)C)n2	SCHEMBL14255051	446.626	SWGZTEQGCBQDRO-VMAKSAMISA-N	00000000100000000111000000000010000000000000000000000000	31-01-136575
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(C(C)(C)C)ccc1OC)C(=O)OC	PC-id_20413058	446.626	HZTHISCKCASDQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136576
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(OCC)cc1)C)C(=O)OCC	PC-id_20168566	446.626	GJDYKUNEZPDQNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136577
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1ccc(N)cc1)CC)C(=O)OCC	PC-id_22782024	446.626	IMFDTXAQHYBDFF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136578
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(N)ccc1)CC)C(=O)OCC	PC-id_18894598	446.626	IFYBUPVPKBPTID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136579
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(OC)cc1)C)C(=O)OCC	PC-id_19675877	446.626	VRQGHWXBHVRAQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136580
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(OCC)cc1)C)C(=O)OC	PC-id_20168559	446.626	OOTGGZRKOZICJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136581
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1cc(OC)ccc1)C)C(=O)OCC	PC-id_19675792	446.626	NUPYLDNFKHQUNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136582
s1c2c(CCCCCC2)c(c1NC(=S)NCCc1ccc(OC)cc1)C(=O)OCC	PC-id_19649949	446.626	PWFXDPVJSSVSPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136583
s1c2c(CCCCCC2)c(c1NC(=S)NCCc1c(OC)cccc1)C(=O)OCC	PC-id_19649721	446.626	YVOJFMBZKNOFRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136584
S[C@]1(C(C)C(=C)O)CC/C(=C/CC(=O)/C=C/C=Cc2nc(sc2)[C@H](NC(=O)C1)C)/C	PC-id_59679637	446.626	SWGZTEQGCBQDRO-DHRZIMHNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-136585
SC1(C(C)C(=C)O)CCC(=CCC(=O)C=CC=Cc2nc(sc2)C(NC(=O)C1)C)C	PC-id_72356332	446.626	SWGZTEQGCBQDRO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-136586
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCC(CC1)OCC1CCCCO1	PC-id_109447507	446.629	NMCGAZORSHRWHF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136587
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCCN1CCCCC1	PC-id_66932456,SCHEMBL1176114	446.629	IYHCRMANLMNXHV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136588
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCCN1CCCCC1	SCHEMBL1176113,PC-id_57635705	446.629	IYHCRMANLMNXHV-OAQYLSRUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136589
S1CCN(C(=O)C2N(CCC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)CC1	PC-id_56542414	446.629	DETKCELCZBHYLR-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-136590
S(=O)(=O)(N1CC[NH+](CC1)Cc1n2CCCCCc2nn1)c1c(c(c(c(c1C)C)C)C)C	PC-id_40789941	446.629	TXJIJWGWJYNYGM-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-136591
CCCNC(=O)CN1CCC(CC1)NC(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_112077174	446.633	WTIWFDKPQGFSGW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136592
CC(c1ccc(c2-c(c1)c(C)cc2/C=C/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C)C)C	PC-id_102044212	446.666	URZHLHBHNDOKEI-WGDLNXRISA-N	00000010100000000110000000000010000000000000000000000000	31-01-136593
Ic1cc(Cl)c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55677235	446.671	VTGUVIVDTLZEJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136594
Brc1c2CCN(CCc2sc1Cc1c(Cl)cccc1F)C(=O)OCC	PC-id_68472833,SCHEMBL3001676	446.761	AFBQRNNGFRFBFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136595
c1(NC(=O)CCC(=O)Nc2c(Cl)cc(c(Cl)c2)Cl)sc2c(CCCCC2)n1	MCULE-1299690835,EMOLS-id_335102769	446.778	BUDOYKOTKSQMKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136596
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)c1cc(ccc1)C(F)(F)F	PC-id_51561725	446.856	LSSBVCJBKXRYAS-GXDHUFHOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136597
Clc1n(nc(c1C=C(c1n2CCCCCc2nn1)C#N)C)c1cc(ccc1)C(F)(F)F	PC-id_75674989	446.856	LSSBVCJBKXRYAS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136598
c1(c2CCCCCc2sc1NC(=O)C(F)(F)F)C(=O)Nc1c(OC)ccc(Cl)c1	EMOLS-id_2434046,ZINC22_644055,PC-id_991345,SPECS-id_AP-064/40656902,SCHEMBL4151213,MCULE-4389902950,CoCoCo_879789	446.871	RARCXSWKTXRXGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136599
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1cccc(c1F)F	PC-id_69954914,SCHEMBL6992362	446.897	YZPBYYSQDPTBAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136600
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1cc(F)cc(c1)F	PC-id_69955536,SCHEMBL6994643	446.897	SOILPAKIAFKSBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136601
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)c2c(F)ccc(F)c2)cc1	SCHEMBL6992370,PC-id_69954917	446.897	BJIOQUQCSKKXLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136602
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)c2c(F)cc(F)cc2)cc1	PC-id_69954147,SCHEMBL6989784	446.897	RPBBOBJIPDZTTC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136603
Fc1ccc(cc1)C(=O)NCCc1nnc2n1CC[N@H+](CC2)Cc1c(F)cccc1Cl	GD-id_ZINC12025469	446.901	POMSJRIUKBWUMB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-136604
Clc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3n[nH]c4CCCCCc34)cc2)nn1	EMOLS-id_335125709,MCULE-4692150268	446.911	JQNVDEBHSGSUOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136605
Clc1n(c2c(n(c(=O)n(c2=O)C)C)n1)CC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_30301331	446.911	XHGWFQKKESTPLH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-136606
FC(F)(F)c1cnc(N2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)c(Cl)c1	MCULE-4760198764,CoCoCo_3448115,EMOLS-id_13551631,PC-id_17473926,ZINC22_96316704,CoCoCo_3448116	446.921	IWCWPBZHCVDYAE-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-136607
Clc1n(nc(c1C(=O)NNC(=O)c1sc2CCCCCc2c1)C)c1ccc(F)cc1	PC-id_55376447	446.926	HYPJLTSUWDWKDP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136608
Clc1ccc(N2CCN(CC2)C(=O)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56309858	446.93	XGXKPCJZGGLAIR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136609
Clc1ccc(NC(=O)N2CCN(CCC2)C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56392198	446.93	UDWLWLHMODHRGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136610
Clc1cc(N2CCN(CC2)C(=O)CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56502889	446.93	MCMATYFGCAKFMP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136611
Clc1cc(NC(=O)N2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1C	PC-id_55868415	446.93	KSAIGNWKHSTGDE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136612
Clc1cc(NC(=O)N2CCN(CCC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56352937	446.93	VQRRQHNKJASFTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136613
Clc1n(nc(c1C=CC(=O)OC(C(=O)Nc1sc2CCCCCc2c1C#N)C)C)C	PC-id_75657945	446.95	PFXOJNLQEADEJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136614
Clc1n(nc(c1/C=C/C(=O)O[C@H](C(=O)Nc1sc2CCCCCc2c1C#N)C)C)C	PC-id_51491757	446.95	PFXOJNLQEADEJV-LXKVQUBZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136615
Clc1n(nc(c1/C=C/C(=O)O[C@@H](C(=O)Nc1sc2CCCCCc2c1C#N)C)C)C	PC-id_51491758	446.95	PFXOJNLQEADEJV-WTNCMQEWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136616
N=C/C(=C/1NCCCc2c1cc(s2)C(=O)N1C([C@@H]1Cc1cccc(c1)F)N(C)C)/Cl	SCHEMBL19737119	446.969	SLCNBWPXVPGSJR-ZEBRXIJHSA-N	00100000100000110100000000000010000000000000000000000000	31-01-136617
Clc1ccc(C2(O)CCN(CC2)CCCC(=O)c2sc3CCCC(=O)Nc3c2)cc1	PC-id_21471884,SCHEMBL8920666	446.99	QAJAXZVKAZMTMQ-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-136618
c1(NC(=O)CCC(=O)N2CCN(CC2)c2ccccc2Cl)sc2c(CCCCC2)n1	EMOLS-id_334813499,MCULE-6312399627	446.993	WFHQLHBBRVECAE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136619
c1(NC(=O)CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)sc2c(CCCCC2)n1	EMOLS-id_334806842,MCULE-3942578201	446.993	GELKVKHROBWACQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136620
Clc1c(C2(N(C(=O)CSc3n4CCCCCc4nn3)C)CCCCC2=O)cccc1	PC-id_16369024,MCULE-9383174996	446.993	TZOSESXILPNFGM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136621
CN(C(=O)CSc1nnc2n1CCCCC2)[C@@]1(c2ccccc2Cl)CCCCC1=O	PC-id_41138613,ZINC22_9594508,CoCoCo_4311443	446.993	TZOSESXILPNFGM-JOCHJYFZSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136622
CN(C(=O)CSc1nnc2n1CCCCC2)[C@]1(c2ccccc2Cl)CCCCC1=O	ZINC22_9594505,CoCoCo_4311442,PC-id_41138612	446.993	TZOSESXILPNFGM-QFIPXVFZSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136623
O=C(N([C@@]1(CCCC=C1O)c1ccccc1Cl)C)CSc1nnc2n1CCCCC2	CoCoCo_4311444	446.993	GPOAWZNKAPPDMB-QFIPXVFZSA-N	00000000100011110101100000000010000000000000000000000000	31-01-136624
O=C(N([C@]1(CCCC=C1O)c1ccccc1Cl)C)CSc1nnc2n1CCCCC2	CoCoCo_4311445	446.993	GPOAWZNKAPPDMB-JOCHJYFZSA-N	00000000100011110101100000000010000000000000000000000000	31-01-136625
CCNC(=NCC(Oc1ccccc1Cl)CC)NCCCc1nnc2n1CCCCC2	PC-id_112084405	447.017	GADCACZRGPFZCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136626
Clc1ccc(c(c1)N1CC[NH+](CC1)CCCNC(=O)c1csc2c1CCCCC2)C	GD-id_ZINC09833720	447.056	LFVGJYLUSVDDDS-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-136627
CCc1csc2c1C(N)N(CCC2)C(C1CCN(CC1)CCc1ccc(cc1)Cl)N	PC-id_141859768	447.079	MAYPIDYZADGCKJ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-136628
C[C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)C=C	PC-id_154682245	447.088	NGKQJXBMILRJKE-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136629
C[C@@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)C=C	PC-id_154682263	447.088	NGKQJXBMILRJKE-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136630
CC1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)C=C	PC-id_155062063	447.088	NGKQJXBMILRJKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136631
CC(=C)C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F	PC-id_155062055	447.088	CSVZAAXUALENIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136632
CC(=C)[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F	PC-id_154682281	447.088	CSVZAAXUALENIP-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136633
CC(=C)[C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F	PC-id_155258039	447.088	CSVZAAXUALENIP-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136634
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OCC(NS2=O)(CO)C=C	PC-id_154682235	447.088	GPHLGCJRQSGMQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136635
Brc1c(/C=C/c3c(NC2=O)ccc(F)c3)c(Br)c2-c1ccccc2	PC-id_59301613,SCHEMBL3285213	447.095	ZHADVIURVJMWEN-ZROIWOOFSA-N	00000010100000100110000000001010000000000000000000000000	31-01-136636
Brc1c(C=C2c3c(NC2=O)ccc(F)c3)c(Br)c2-c1ccccc2	PC-id_68581202,SCHEMBL3285214	447.095	ZHADVIURVJMWEN-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-136637
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)OC=N2)NS(=O)(=O)C3=CC=CC=C3	PC-id_161484251	447.146	WETOVEIPLGTGEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136638
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CC3=C(CCNC(=O)C2=O)ON=N3	PC-id_147446927	447.146	DXHLGNJLNKUYIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136639
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CCC3=C(CNC(=O)C2=O)ON=N3	PC-id_148692629	447.146	NTUAOMDDIIWDIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136640
CC1=CC(=CC(=C1)Cl)COC(=O)N2CCCN3C(=CC(=N3)C(C)NC4=NCCS4)C2	PC-id_154403235	447.15	KGNKSXGKQFYMBX-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-136641
Cc1ccc(cc1)Cc1nc(n[nH]1)C(=O)N[C@H]1CCn2c(cc(n2)C(F)(F)F)N(C1=O)C	PC-id_164145091	447.163	YZQWZCQBUVFQMR-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136642
Brc1c2/C(=N/OCC3CCCCC3)/CCNC(=O)c2n(c1Br)C	PC-id_70684905	447.165	SZNFYQHKAMRORT-RGVLZGJSSA-N	00000000100010000100000000000010000000000000000000000000	31-01-136643
Brc1c2C(=NOCC3CCCCC3)CCNC(=O)c2n(c1Br)C	PC-id_77911328	447.165	SZNFYQHKAMRORT-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-136644
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=C3CCCCC(=O)C3=C(N2)C	PC-id_147384222	447.183	DLOWILGTRNUHPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136645
CN1c2cc(nn2CC[C@@H](C1=O)NC(c1nn(cn1)Cc1ccccc1)O)Cn1ccnc1	PC-id_164167256	447.213	ZSFKQDUMCIHKGC-YMXDCFFPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136646
CC(C)C(C)OC(=O)C1=CC=C(C=C1)CC2CCCCC3=C(C2(F)F)N=NN3C(C)(C)C	PC-id_155117239	447.27	QTWLMADNJIGJAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136647
CN=C(NCc1cc(Cl)cc(c1OC(F)F)Cl)NCc1nnc2n1CCCCC2	PC-id_109662961	447.31	XDISTMSSYOEITJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136648
Brc1cc(C[C@@](CCCCn2c3c(nc2)NC=NCC3=O)(C)C(=O)O)ccc1	PC-id_10694718	447.326	AAGJVOVZGQAEAW-FQEVSTJZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136649
Brc1cc(CC(CCCCn2c3c(nc2)NC=NCC3=O)(C)C(=O)O)ccc1	PC-id_11797661	447.326	AAGJVOVZGQAEAW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136650
Brc1cc(C[C@@](CCCCn2c3NC=NCC(=O)c3nc2)(C)C(=O)O)ccc1	PC-id_10718270	447.326	BPGBVLVOXRTQJJ-FQEVSTJZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136651
Brc1cc(CC(CCCCn2c3NC=NCC(=O)c3nc2)(C)C(=O)O)ccc1	PC-id_10813308	447.326	BPGBVLVOXRTQJJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136652
Brc1cc(C(CCCCn2c3c(nc2)NC=NCC3=O)C(=O)OCC)ccc1	PC-id_10671083	447.326	PNQATOMLMSQUKO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136653
Brc1cc(C(CCCCn2c3NC=NCC(=O)c3nc2)C(=O)OCC)ccc1	PC-id_10503582	447.326	FQMZRMCVDCDLQF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136654
CC(=O)c1cc2n(n1)CCC=NC2C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16099870,PC-id_90460613	447.331	JXDUOYWTNMYVHB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136655
N#Cc1c(NC(=O)COC(=O)Cc2ccc(Br)cc2)sc2c1CCCCC2	EMOLS-id_3101739,CoCoCo_2968795,ZINC22_3320819,PC-id_2436461,MCULE-4509219397	447.345	NOALQJHCIGLPRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136656
COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807964	447.367	GZGMYCFNVUAOJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136657
Brc1ccc(C2(CCOCC2)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_56357623	447.369	ZBKCFZDWVOOOOJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136658
NC(=O)C1=CC(C(C=C1)(Cl)c1ccccc1C(=O)N1CCCCc2c1ccs2)Cl	PC-id_142627642	447.377	ORVJJSBIEUHXGZ-UHFFFAOYSA-N	00000000100011110100100000000010000000000000000000000000	31-01-136659
Clc1cc(cc(c1)Cl)NC(=O)C(c1ccccc1)Sc1nnc2n1CCCCC2	MCULE-5645191997,PC-id_16290813,EMOLS-id_11707475	447.381	UTORIQWNEMFFDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136660
O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1	PC-id_41227340,CoCoCo_3081388,ZINC22_9814562	447.381	UTORIQWNEMFFDY-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-136661
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_13109971,PC-id_25713784,CoCoCo_3081387	447.381	UTORIQWNEMFFDY-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136662
C1Cn2c(c(nn2)C(=O)Nc2cccc(c2)C(F)(F)F)CN(C1=O)Cc1ccccc1F	PC-id_134805927	447.386	OYIQAAUMLRVODJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136663
Brc1c2-c(ccccc2C(Sc2ccccc2)C2C=CC=CC=C2)c(c1)C=O	PC-id_10884800	447.387	BULGBNITYPAWDB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136664
c1(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2016238448,PC-id_4387608,TIMTEC95003,EMOLS-id_6799935,ChEMBL-DNDi_CHEMBL8015-3535,CoCoCo_1978598,ZINC22_3629237	447.392	CDPZNIICOWPLSC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-136665
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cc(OCC)c(OC(F)F)cc1	PC-id_19523809	447.399	KBGCPAHBQRDLCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136666
CC([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(C(F)F)c(cc1F)F)C)O	SCHEMBL21337068,PC-id_139471072	447.404	BYCAUWVYGDUMPZ-AZMWARKLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136667
C[C@@H](C1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1F)C(F)F)F)C)O	PC-id_140762744	447.404	UJIRDFBCZOWYSB-YMNIQAILSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136668
C[C@@H]([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1F)C(F)F)F)C)O	SCHEMBL18352868	447.404	UJIRDFBCZOWYSB-GZMMTYOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136669
C[C@@H]([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(C(F)F)c(cc1F)F)C)O	SCHEMBL18352856	447.404	BYCAUWVYGDUMPZ-ISVAXAHUSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136670
C[C@@H]([C@H]1C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)C(F)F)F)C)O	SCHEMBL18352886	447.404	WFHXMIKGDZLLIT-ISVAXAHUSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136671
CC(c1ccc(nc1)c1ccc(cc1)C(F)(F)F)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_71571324,SCHEMBL14965969	447.41	UPZWVVSUMYXLRX-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-136672
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)Cc1ccccc1C(F)(F)F	SCHEMBL18367098	447.414	WKNOCRFACCVUIL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136673
CCC(Cc1cccc(c1)Br)CNC(=NC)NCc1nnc2n1CCCCC2	PC-id_112254009	447.415	AKWQCIYJFMBJDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136674
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccccc1Br)C	PC-id_111275959	447.415	QODMPRYJWROHRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136675
CCNC(=NCCCc1nnc2n1CCCCC2)N(Cc1ccc(cc1)Br)C	PC-id_111293015	447.415	GIJMWJQQAUHZDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136676
CCNC(=NCCCc1nnc2n1CCCCC2)NC(c1ccccc1Br)C	PC-id_111322158	447.415	UQOWQBXFVLRDBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136677
o1c2-c(c(C(=C3C4=CC=CC=CC4=[O+]C3=O)c3c4-c(oc3=O)ccccc4)c1=O)ccccc2	PC-id_10745990	447.415	CBPPJSJGJJBEHI-UHFFFAOYSA-N	00000011100000000110000000000110000000000000000000000000	31-01-136678
c1(NC(=O)c2c(F)c(F)c(c(F)c2F)F)sc2c(CCCCC2)c1C(=O)OCCC	CoCoCo_6794776,TIMTEC306243,EMOLS-id_2440869,PC-id_2168489,SPECS-id_AK-968/41926794,ZINC22_2766938,MCULE-5373252917	447.419	MFIYHVHHLDQVTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136679
c1(NC(=O)c2c(F)c(F)c(c(F)c2F)F)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC235001,PC-id_2164803,GD-id_ZINC02745028,SPECS-id_AK-968/12386653,EMOLS-id_2200158,MCULE-8899913418,CoCoCo_6794787,ZINC22_2745028	447.419	JEBIFHPMTFHKAA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136680
s1c2c(CCCCC2)c(c1NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)OC(C)C	PC-id_4150447	447.419	GAPFAYDSVXUZEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136681
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccc(c(F)c3)F)CCn12	EMOLS-id_20479165,PC-id_45188747,MCULE-8194263840,ChEMBL-DNDi_CHEMBL23915698	447.429	ZIDZETYQLSMMGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136682
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3cc(F)cc(F)c3)CCn12	PC-id_45198320,MCULE-1473410901,EMOLS-id_20521333	447.429	NGJYNOFNGXYQAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136683
CCC(C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)O	PC-id_140762614	447.429	JSPZXGAXBUZXCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136684
CCC([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)O	SCHEMBL18352843	447.429	JSPZXGAXBUZXCY-PZORYLMUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136685
CCC([C@@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)O	SCHEMBL18352936	447.429	JSPZXGAXBUZXCY-UEWDXFNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136686
C[C@@H]([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)CNc1ccc(c(c1)C(F)F)F)C)O	PC-id_139471332,SCHEMBL21337330	447.429	UJYLHPDYOMKKHO-TVQRCGJNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136687
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2	CoCoCo_1241553,PC-id_42238146,CoCoCo_1241552,ZINC22_11871156	447.429	ZIDZETYQLSMMGV-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136688
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2	CoCoCo_1241555,CoCoCo_1241554,PC-id_42238148,ZINC22_11871157	447.429	ZIDZETYQLSMMGV-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136689
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cc(F)cc(F)c1)CC2	CoCoCo_1302253,CoCoCo_1302252,ZINC22_20783487	447.429	NGJYNOFNGXYQAR-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136690
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cc(F)cc(F)c1)CC2	ZINC22_20783490,CoCoCo_1302254,CoCoCo_1302255	447.429	NGJYNOFNGXYQAR-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136691
Fc1cccc(c1)C(=O)NCc1nnc2CCN(Cc3cccc(c3)C(F)(F)F)CCn12	CoCoCo_1297618,CoCoCo_1297617,EMOLS-id_20518211,MCULE-3999159893,ChEMBL-DNDi_CHEMBL31523906,ZINC22_20781748,PC-id_29152459	447.429	GEZCZMFHEKUGAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136692
Fc1cccc(c1)C(=O)NCc1nnc2CCN(Cc3ccc(cc3)C(F)(F)F)CCn12	EMOLS-id_232716669,ZINC22_20208316,MCULE-8495130831,ChEMBL-DNDi_CHEMBL20649088,PC-id_28737094	447.429	GHGXMGLQUDDOGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136693
OC(c1n(C)cc2c1OC[C@@H](NS2(=O)=O)C(C1CC1)O)Nc1cc(F)c(c(c1)F)F	SCHEMBL21337243,PC-id_139471244	447.429	FCQPQHSKCDEMCF-YAJMATIESA-N	00100000100000110101000000000010000000000000000000000000	31-01-136694
O=C(c1n(C)cc2c1OC[C@H](NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1)C(F)F)F	SCHEMBL18352925	447.429	QBANAECRSPSQSZ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136695
O=C(c1n(C)cc2c1OC[C@@H](NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1)C(F)F)F	SCHEMBL18353462	447.429	QBANAECRSPSQSZ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136696
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1)C(F)F)F	PC-id_140762643	447.429	QBANAECRSPSQSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136697
CCOC(=O)Cc1ccc2-c(cc1)c(c(c2OC(=O)OCC)NC(=O)C)OC(=O)OCC	PC-id_17776128,SCHEMBL8333469	447.435	XIDLVZKIHHGBSJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-136698
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NC(C(=O)N)(OC)O	SCHEMBL8166085,PC-id_70292506	447.438	KRLRHGRLQJIMIP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-136699
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OCC(=O)NO)C	PC-id_23296746,SCHEMBL8166096	447.438	IAPAVGRQXMHRRZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-136700
COCN(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)C(=O)NO	SCHEMBL8166089,PC-id_54514204	447.438	YLGNBTQPGBAWEH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-136701
O=C(CCC(F)(F)F)NCCCCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670732,SCHEMBL21041076	447.439	NSTDOGSXOPGECC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136702
CCOC(=O)c1c(NC(=O)Cn2nc(cc2C(F)F)C(F)F)sc2CCCCCc12	CoCoCo_5808715,MCULE-4916171092,PC-id_996754,ZINC22_650581,SPECS-id_AK-968/41169644,EMOLS-id_4134007	447.447	MNWVKIRGLRBCSW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136703
CC(C)OC(=O)C1CN(C(=O)c2cccc(C(F)(F)F)c2)CC(C)(C)c2cc(C#N)[nH]c12	SCHEMBL4141176,PC-id_45484837,CHEMBL565981,BindingDB_PC-id_45484837	447.45	JVNOVPUUVDZWMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136704
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1)Cc1cc(OC)ccc1	PC-id_19523728	447.453	PSBNLOVMKOTBIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136705
FC(F)(F)/C(=C(/c1n2CCCCCc2nn1)C#N)/OCC(=O)Nc1c(C(C)C)cccc1	CoCoCo_3163588,PC-id_2433309,CoCoCo_3163591	447.453	PYEJUJIKWMWGCI-SILNSSARSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136706
FC(F)(F)/C(=C(c1n2CCCCCc2nn1)/C#N)/OCC(=O)Nc1c(C(C)C)cccc1	CoCoCo_3163590,PC-id_2433308,CoCoCo_3163589	447.453	PYEJUJIKWMWGCI-CAPFRKAQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136707
FC(F)(F)C(=C(c1n2CCCCCc2nn1)C#N)OCC(=O)Nc1c(C(C)C)cccc1	PC-id_3642884,EMOLS-id_26056926,MCULE-3761618755	447.453	PYEJUJIKWMWGCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136708
O=C(c1n(C)cc2c1OCC(NS2=O)C(c1ccccc1)O)Nc1ccc(c(c1)F)F	PC-id_139471033,SCHEMBL21337026	447.455	GAVODTYVLNHKII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136709
FC(F)(F)c1ccc(n2ncc(c2C(C)C)C(=O)NCc2n3CCCCCc3nn2)nc1	PC-id_46430685	447.457	NYWGTEFIBPFTRZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-136710
c1(NC(=O)c2cc(c(c(c2)N(=O)=O)C)N(=O)=O)sc2c(CCCCCC2)c1C(=O)OC	MCULE-9738735568,PC-id_17385457,EMOLS-id_4134017,ZINC22_19645839,TIMTEC403778,CoCoCo_1709234	447.462	QKDLKTSMQNDDFO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136711
COC(=O)c1c(NC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)sc2c1CCCCC2	ZINC22_8745100,CoCoCo_3035174,PC-id_17553438,EMOLS-id_15253163,MCULE-5461949213	447.462	SMXDDTVKQDFXGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136712
s1c2c(CCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)OCCC	PC-id_3302037	447.462	PGVHGUVFBTUVRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136713
s1c2c(CCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)OC(C)C	PC-id_4347928	447.462	RNVDQWTZINQAIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136714
s1c2c(CCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1)C(=O)OC(C)C	PC-id_3447972	447.462	IBXGLANXFWTRTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136715
s1c2c(CCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1)C(=O)OCCC	PC-id_4321080	447.462	PNSFMEQOZJQGNI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136716
s1c2c(CCCCCC2)c(c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)OCC	PC-id_4124138	447.462	YKECWLYSJCTBEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136717
s1c2c(CCCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_3483424	447.462	ZPHRGHUQWHYAPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136718
COCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(F)c(F)c1	SCHEMBL17777905,PC-id_121358837,BindingDB-id_731709	447.475	BSQLQLZHTCLCMN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136719
CC(OC(=O)C1=CN(CC(c2c1[nH]c(c2N(N)C)N)(C)C)C(=O)c1ccc(c(c1)F)F)C	PC-id_145409494	447.478	JAEFWIUVOHDFNQ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-136720
COC(=O)c1c2OCCCOC(OCCCOc2c(n1Cc1ccccc1)C(=O)OC)C	PC-id_67512820,SCHEMBL2721878	447.478	UJUWBGDWGDJWGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136721
CCOC(=O)c1c2-c(c(c1NC(=O)C)C(=O)OCC)ccc(cc2)CC(=O)c1ccccc1	PC-id_102239222	447.48	NIHZMUSYRFXGOD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136722
CCN[N+](C(=O)Cc1ccc2-c(c(c(c2C(=O)OCC)N)C(=O)OCC)cc1)([O-])OCC	PC-id_88257092,SCHEMBL8158928	447.482	NFACDXCBYGLZGV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-136723
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)[N+](N(C)C)(OCC)[O-]	SCHEMBL6875714,PC-id_23296733	447.482	HRRCCDSPYWIDER-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-136724
CCOC(=O)c1c2-c(c(c1NC(=O)C)C(=O)OCC)ccc(cc2)N=Nc1ccc(cc1)C	PC-id_101760655	447.483	SSGHSEQEVVHQNK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136725
C1CC1NC(=O)c1ccc(cc1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580468,SCHEMBL14966188	447.486	HQCTVKGWKADNBC-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-136726
C1CC1NC(=O)c1cccc(c1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965672,PC-id_89580092	447.486	UJIDZWUZFSVCEB-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-136727
n12CCN(CCc1nnc2CNC(=O)COc1ccccc1)C(=O)C1Cc2c(cccc2)O1	MCULE-1076616978,EMOLS-id_232754056,PC-id_45219029	447.486	YCHHVTDCTBDJCR-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-136728
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)Nc1ccc(OC)cc1)Cc1ccccc1	PC-id_46049879	447.486	ISDHBOAAFFTEMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136729
O=C(COc1ccccc1)NCc1nnc2n1CCN(C(=O)[C@@H]1Cc3ccccc3O1)CC2	ZINC22_14955074	447.486	YCHHVTDCTBDJCR-FQEVSTJZSA-N	00000010100000110101000000001010000000000000000000000000	31-01-136730
O=C(COc1ccccc1)NCc1nnc2n1CCN(C(=O)[C@H]1Cc3ccccc3O1)CC2	ZINC22_14955079	447.486	YCHHVTDCTBDJCR-HXUWFJFHSA-N	00000010100000110101000000001010000000000000000000000000	31-01-136731
CCc1nc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(cc1)OC(F)F	SCHEMBL15024281,PC-id_89623078	447.501	YBOGOFGBIYCKGW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136732
Fc1cc2/C(=C/c3c4-c(c(c3)C)c(OCCCN3CCOCC3)cccc4)/C(=O)Nc2nc1	CHEMBL1258377,BindingDB_PC-id_52943859,PC-id_52943859	447.501	BUDGSBIZCIHODS-HMAPJEAMSA-N	00000010100010100111000000001010000000000000000000000000	31-01-136733
Fc1cc2C(=Cc3c4-c(c(c3)C)c(OCCCN3CCOCC3)cccc4)C(=O)Nc2nc1	PC-id_75968804	447.501	BUDGSBIZCIHODS-UHFFFAOYSA-N	00000010100010100111000000001010000000000000000000000000	31-01-136734
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1oc(c(c1C(=O)OCC)C(=O)C)C	PC-id_30565308	447.501	SFAKDTBCBLCBRH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-136735
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc(OC)cc(OC)c1)C(=O)OC	PC-id_5015847	447.501	IIIRKIJJEYLKKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136736
c12C(=O)N(CCCn1nc(C(=O)N1CCN(CC1)c1ccccc1)c2)Cc1ccc(cc1)F	MCULE-2652162823,EMOLS-id_32632816,PC-id_53086340	447.505	ZACBXTLALJXUTB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136737
c12C(=O)N(CCCn1nc(C(=O)N1CCN(CC1)c1ccccc1F)c2)Cc1ccccc1	EMOLS-id_30600610,PC-id_46347963,MCULE-2133874541	447.505	UIWBAWIVTIAKBC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136738
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4cc5ccccc5o4)CCn23)cc1	ZINC22_14881734,MCULE-4736586250,EMOLS-id_20450293,ChEMBL-DNDi_CHEMBL19032377,CoCoCo_1200720,CoCoCo_1200719,PC-id_26277372	447.505	PTUKHZZNKSFTNE-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-136739
Fc1cc(CN2CCCn3nc(C(=O)N4CCN(CC4)c4ccccc4)cc3C2=O)ccc1	PC-id_53086351	447.505	MXWNQDGPKRMAHL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136740
Fc1ccc(N2CCN(CC2)C(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)cc1	PC-id_53086331	447.505	RKHYMNMONZSCOD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136741
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)c(OCC(=O)N)c(OC)c1)C(=O)N	PC-id_55429380	447.505	ILRUMMRZTYCPRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136742
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c([N+](=O)[O-])cc(OC)c(OCC)c1	PC-id_24514864	447.505	PDGVSEBBBAHZQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136743
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(Oc2ccccc2)nccc1)C#N	PC-id_40051080	447.506	PDWUWAGGZVEQOH-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-136744
CC(C(C(=O)NC1Cc2ccnn2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730265,SCHEMBL21109418	447.508	QBQXLTPXTFXLOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136745
CC(C(C(=O)NC1Cc2cncn2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109441,PC-id_138730288	447.508	UKNSGBHABPYNQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136746
CC(C(C(=O)NC1Cc2nccn2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730064,SCHEMBL21109215	447.508	LPURAVIKCDKTSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136747
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc(cc1)C#N)C)C#N	PC-id_38854318	447.51	FCUPREAIHSSITL-QHCPKHFHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136748
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc(cc1)C#N)C)C#N	PC-id_38854321	447.51	FCUPREAIHSSITL-HSZRJFAPSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136749
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(cc1)C#N)C)C#N	PC-id_85505629	447.51	FCUPREAIHSSITL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136750
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)Cc1ccc(cc1F)F	SCHEMBL4116173,PC-id_68918438	447.521	FXJKEWIQOBYRAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136751
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)Cc1ccc(cc1F)F	PC-id_57736913,SCHEMBL4116165	447.521	FXJKEWIQOBYRAX-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136752
Fc1ccc(cc1)CSc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)NCCC3)/C(=O)N2	PC-id_145511781	447.524	IRVWEFGLWALQGE-UNOMPAQXSA-N	00000010100000110100000000001010000000000000000000000000	31-01-136753
CCNC(=NCc1nnc2n1CCCCC2)NC1CCN(C1)c1ccccc1OC(F)F	PC-id_111921673	447.525	ZKOLGEBHICGFOE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136754
CN=C(NC1CCN(C1)c1ccccc1OC(F)F)NCCc1nnc2n1CCCCC2	PC-id_111921695	447.525	OHWODXLAXBQTTN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136755
c1(NC(=O)CSc2nnc(c3ccco3)o2)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC97840,MCULE-1888211534,EMOLS-id_8860214,CoCoCo_6590638,ZINC22_2809416,PC-id_3589940	447.528	CGSQZXGBIVSAFG-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-136756
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1	EMOLS-id_3103573,PC-id_2365329,CoCoCo_3001277,MCULE-1197992095,ZINC22_3248137,CHEMBL1497193	447.528	QCRWRTAVWHURPO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136757
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(NS(=O)(=O)C)cccc1)C#N	PC-id_45672150	447.528	KMHJWGYCAYGACA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136758
C=CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3ccccc3OC)n2CC1	EMOLS-id_20448007,MCULE-6238988903,ZINC22_14880639,CoCoCo_1197537,CoCoCo_1197536,PC-id_26276421	447.529	IMHOEVNXUNITMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136759
CC(C)(O)C#Cc1ccc(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1	ZINC22_19224377,EMOLS-id_232748458,PC-id_28099157,MCULE-9496569277,ChEMBL-DNDi_CHEMBL47791890	447.529	CFQPLRRNIVBDMV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-136760
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	CoCoCo_1235999,PC-id_42235874,ZINC22_11868017,CoCoCo_1235998	447.529	QPOFPGYRKAJJGI-GOSISDBHSA-N	00000010100000110101000000001010000000000000000000000000	31-01-136761
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	CoCoCo_1236000,CoCoCo_1236001,PC-id_42235877,ZINC22_11868019	447.529	QPOFPGYRKAJJGI-SFHVURJKSA-N	00000010100000110101000000001010000000000000000000000000	31-01-136762
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccc4OCOc4c3)CCn12	PC-id_45187860,MCULE-3618091099,ChEMBL-DNDi_CHEMBL23210005,EMOLS-id_20475293	447.529	QPOFPGYRKAJJGI-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-136763
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc4OCCc4c3)CCn12	PC-id_42424328,CoCoCo_1319391,CoCoCo_1319390,ZINC22_12134416,ChEMBL-DNDi_CHEMBL34739264,EMOLS-id_20533339,MCULE-5030814899	447.529	GXZYGQLEHJHVJI-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-136764
COc1cc(C=CCN2CCc3n(CC2)c(nn3)CNC(=O)Cc2ccccc2)ccc1O	MCULE-6554021034,PC-id_74844540	447.529	HVJIMORIEYFPSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136765
COc1cc(/C=C/CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)ccc1O	PC-id_42343041,ZINC22_11998131,EMOLS-id_232723891	447.529	HVJIMORIEYFPSL-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136766
N#Cc1ccc(cc1OCCC(O)(C)C)NC(=O)NCC1C/C=CC=C/C(=C)c2n1cnc2	SCHEMBL18034598,PC-id_122504313	447.529	GJUWRXYDPNRMSB-PEPZGXQESA-N	00000000100000110111000000000010000000000000000000000000	31-01-136767
O1c2cc(CN3CCn4c(nnc4CCNC(=O)c4c(cc(cc4)C)C)CC3)ccc2OC1	PC-id_42168392	447.529	ULSWFAQTCWEPHW-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-136768
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(CC(=O)N(CC)c2ccccc2)cc1	PC-id_55890771	447.529	VTAZZRSLTDGVKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136769
c1(NC(=O)CSc2[nH]c(=O)c(c(O)n2)NC(=O)C)sc2c(CCCCCC2)c1C#N	ZINC22_12731489,MCULE-7514131276,BindingDB-id_113018,BindingDB_PC-id_2193453,CHEMBL1343459,CoCoCo_942212,EMOLS-id_2218784,PC-id_2193453,ChEMBL-DNDi_CHEMBL1343459,CoCoCo_942213,GD-id_ZINC12731489	447.531	ZQIASTCWNCBYAH-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-136770
CCOC(=O)c1c2CCCCCc2sc1NC(=O)CSc1nnc2[nH]c(=O)ccn12	EMOLS-id_5561762,MCULE-6757048706,ZINC22_9829341,CoCoCo_5134631,PC-id_135731977	447.531	YKPJSRGGPMIUDA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-136771
COc1cccc(NC(=O)c2nc3CCN(CCc3s2)S(=O)(=O)c2cn(C)cn2)c1	EMOLS-id_313793853,ZINC22_1258994789	447.531	CJUPYZMQZADTHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136772
O=c1n2CCCCCc2nn1CC(=O)N(CC(C)C)c1c(n(CC(C)C)c(=O)[nH]c1=O)N	PC-id_55477980	447.531	GPBQIZCQPNRYSL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-136773
O=c1n2CCCCCc2nn1CC(=O)N(CCCC)c1c(n(CC(C)C)c(=O)[nH]c1=O)N	PC-id_55477981	447.531	VGJQHCBXBMOQCQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-136774
s1c2CCCCCCc2c(c1NC(=O)CSC1=NC(=O)C(NC(=O)C)C(=O)N1)C#N	CHEMBL1392027,PC-id_3366584	447.531	GEMYSNLUBNJLMH-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-136775
c1(c2CCCCCc2sc1NC(=O)c1cc(OC)c(c(OC)c1)OC)C(=O)OC(C)C	TIMTEC456953,EMOLS-id_4134215,PC-id_1222791,CoCoCo_6790521,SPECS-id_AK-968/13407056,ZINC22_998549,MCULE-7637028332	447.544	SRLXPICTTGDDEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136776
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OCCC	PC-id_4196281	447.544	DRXKHRYWSBXBNO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136777
s1c2c(CCCCCC2)c(c1NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_4224754	447.544	FYDSYVURYPPMMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136778
s1c2c(CCCCC2)c(c1N(C(=O)Cc1ccccc1)C(=O)Cc1ccccc1)C(=O)O	PC-id_22303162	447.546	RHGOPBZUVGOFMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136779
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccc(F)cc1	PC-id_16923844	447.546	JTNMPUSBEGRDGS-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-136780
Fc1cc(c2ncc(C(=O)NC3CCN(CC3)Cc3c4n(nc3)CCCCC4)cc2)ccc1	PC-id_67268004,SCHEMBL2072021	447.548	HRRZZMDLIDFLTR-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-136781
s1c2CCCCCCCCCCc2c(c1N=CC1C(=O)NC(=O)NC1=O)C(=O)OCC	PC-id_24048290	447.548	YKDKEPKOAUKSAU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136782
c1(c2CCCCCc2sc1N=Cc1cccnc1)C(=O)Nc1ccc(cc1)C(=O)OCC	MCULE-4458199573,PC-id_3758286	447.549	AZXGPZNTHBRUJB-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-136783
CCOC(=O)c1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2cccnc2)cc1	EMOLS-id_46388759,PC-id_9634584,ZINC22_101154136,CoCoCo_6250551	447.549	AZXGPZNTHBRUJB-JVWAILMASA-N	00000000100000111100000000000010000000000000000000000000	31-01-136784
CCOC(=O)c1ccc(NC(=O)c2c(/N=Cc3cccnc3)sc3c2CCCCC3)cc1	ZINC22_18066129,TIMTEC68148,CoCoCo_6250552	447.549	AZXGPZNTHBRUJB-YUMHPJSZSA-N	00000000100000111100000000000010000000000000000000000000	31-01-136785
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)c2ccccc2)c(cc1)C	PC-id_46411396	447.549	OYZMMLBLGMABKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136786
S(c1n(c2C(=Cc3ccc(OC)cc3)C(=O)N(C=Cc2n1)C)COCc1ccccc1)C	PC-id_24827958	447.549	DEPWQZBFPFMYOT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-136787
COc1ccc(C(=O)N(C)Cc2nnc3n2CCCCC3)cc1S(=O)(=O)N1CCCC1	CoCoCo_4524787,ZINC22_40033954,MCULE-6575718144,EMOLS-id_29616317,PC-id_45864279	447.551	MYWWUGPXGMNODO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-136788
S(=O)(=O)(N1CCCCC1)c1cc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56366753	447.551	JONFLHSYEHLZQV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136789
S(=O)(=O)(N1CCC(CC1)CNC(=O)Cn1nc2n(CCCCC2)c1=O)c1ccccc1	PC-id_56218084	447.551	IIPBCKSKYZPQLK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136790
S(=O)(=O)(N1CCCCCC1)c1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55561440	447.551	AFGIGCHMQFIRBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136791
S(=O)(=O)(NCC1OCCC1)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55488157	447.551	BUWGHUANMWEXJC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-136792
S(=O)(=O)(N(CC)CC)c1cc2CCN(c2cc1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55582802	447.551	KEZUCUSNBPLGGA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-136793
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)CCc3cccnc3)CC2)cccc1)CC=C	PC-id_42171231	447.553	SSBHKDQGRIGVKD-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-136794
O=C(NCc1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)CCc1cccnc1	PC-id_42468125	447.553	XTCNLVYWNWWXAP-VMPITWQZSA-O	00000000100000111101000000000010000000000000000000000000	31-01-136795
O=C(NCc1n2CC[NH+](CCc2nn1)CC=Cc1c(OC)cccc1)CCc1cccnc1	PC-id_74806149	447.553	XTCNLVYWNWWXAP-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-136796
s1c(N(C(=O)Cn2nc3n(CCCCC3)c2=O)c2ccc(cc2)CC)nc2c1cccc2	PC-id_36444707	447.553	GSLQYBNOBXEVIJ-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-136797
s1c(N(C(=O)Cn2nc3n(CCCCC3)c2=O)CCc2ccccc2)nc2c1cccc2	PC-id_55576885	447.553	MGSZEZHLDINFMP-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-136798
CNS(=O)(=O)c1cccc(NC(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)c1	PC-id_47041978,ZINC22_48353572,EMOLS-id_31980984,MCULE-3921526954	447.554	FQEATKGEFOGSGJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136799
Cc1cc(NC(=O)Cc2csc(Cc3nnc4n3CCCCC4)n2)n(c2ccccc2)n1	ZINC22_13149674,PC-id_16232791,MCULE-2601441482,CoCoCo_3890603,EMOLS-id_2885990	447.556	VILPJZLPQPMNPM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136800
CCCC(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671159	447.558	RAVKXXNQQKIVQT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136801
CCCC(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041530	447.558	RAVKXXNQQKIVQT-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-136802
CC(C)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)(F)F)sc3CC2)CC1	BindingDB-id_989421,SCHEMBL21041075	447.558	WDJJKEWRFILELR-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-136803
O=C(C(C)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670731	447.558	WDJJKEWRFILELR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136804
CCC(OC(=O)c1ccc(cc1)CC1CCCCc2c(C1(F)F)nnn2C(CC)C)CC	PC-id_138631908,SCHEMBL20998796	447.561	SRENVPWFZVNMSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136805
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1sc2CCCCc2c1)C(=O)OC	PC-id_4360277	447.568	ICNOAINQUPUSHR-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-136806
S(=O)(=O)(c1c2-c(c(c1)CCCS(=O)(=O)Nc1ccccc1)ccc(cc2)C(C)C)O	PC-id_44291863,CHEMBL1205050	447.568	XXPPVQBZMBJKKA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136807
S(=O)(=O)(N1CCc2c1ccc(c2)C(=O)COC(=O)c1sc2CCCCCc2c1)CC	PC-id_29924829	447.568	XZRXOXOQOMFYNA-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-136808
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)COC(=O)c1sc2CCCCCc2c1	PC-id_30684026	447.568	BXZPGCDFTWZQKG-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-136809
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)sc2c(CCCCC2)c1C(=O)N	CoCoCo_5014629,PC-id_4374217,ZINC22_16837258,MCULE-4836571434,EMOLS-id_22707205	447.571	YWXSEHYECFIOQF-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-136810
c1(NC(=S)NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C(=O)N	EMOLS-id_4456948,PC-id_1932879,ZINC22_2316294,MCULE-5789655200,STOCK2S-75103,CoCoCo_1740207	447.571	OLYDXUAYUBVECQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136811
C=CCNS(=O)(=O)c1cccc(c1)C(=O)NNC(=O)c1sc2c(c1)CCCCCC2	MCULE-6546753200,PC-id_25444349,CoCoCo_3415950,EMOLS-id_43868443	447.571	PIGLFRDWRSWGBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136812
CN(C1CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C(=O)N	MCULE-1751012229,GD-id_ZINC10099517,EMOLS-id_32180810,ZINC22_10099517,PC-id_41363991	447.571	QKEUMBSUEYCPAG-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-136813
N#Cc1nc2oc1N(C)CCCCCC[C@@H](C(=O)N[C@H]2C(C)(C)C)NC(=O)[C@H](C(C)C)O	PC-id_146048356	447.571	AWSBMBRFKAYWCB-RYQLBKOJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136814
NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1	CoCoCo_4218695,ZINC22_14138997,PC-id_17563985,MCULE-8679364244,EMOLS-id_13486235	447.571	YEXOLQUALCRKTN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136815
NC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)sc2c1CCCCC2	PC-id_17550850,ZINC22_13987656,CoCoCo_3250493,EMOLS-id_11933548,MCULE-4768584324	447.571	SEOCZEXENRGVRR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-136816
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)C(=O)c1occc1)C(=O)OC	PC-id_19686838	447.571	CQUAWLNFCYTVLD-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-136817
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc2CCN(c2cc1)C(=O)C	PC-id_24510085	447.571	GAOBNEDMORXAKZ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-136818
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(ccc([N+](=O)[O-])c1)C)C(=O)OCC	PC-id_20411815	447.571	WITJGMPWBGZPEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136819
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_20412488	447.571	GIJKNMXLHRNPMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136820
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(c([N+](=O)[O-])ccc1)C)C(=O)OCC	PC-id_20408415	447.571	KKWQPCCNBYWBEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136821
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])c(cc1)C)C(=O)OCC	PC-id_20415089	447.571	JNNMPIIQRZILNQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136822
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(cc1)C)C(=O)OCC	PC-id_20412612	447.571	FPBPEKUAMALAHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136823
S(=O)(=O)(N1C(Cc2c1ccc(c2)C(=O)NNC(=O)c1sc2CCCCCc2c1)C)C	PC-id_46656979	447.571	LSCYIRDVNLIDGA-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-136824
S(=O)(=O)(N1CCc2c1ccc(c2)C(=O)NNC(=O)c1sc2CCCCCCc2c1)C	PC-id_26287338	447.571	OYNNIRSLFDQNHG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-136825
S(=O)(=O)(NC1CC1)c1cc(ccc1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_24643142	447.571	PSUOSGNUWRDDMN-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-136826
c1(c2CCCCCc2n[nH]1)C(=O)N1CCC(C1)c1cc([nH]n1)COc1ccc(cc1)C(C)C	MCULE-9566714793,EMOLS-id_261463,BDF-24970507	447.573	ZHWSHCHWTMNMCX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136827
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(CC(=Cc3ccccc3)C)CCn12	MCULE-8280409934,PC-id_74800403	447.573	OXKAHCNZPABTOH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-136828
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3cccc(c3)Oc3ccccc3)CCn12	MCULE-2997950518,EMOLS-id_20422931,PC-id_45175720,ChEMBL-DNDi_CHEMBL14820275	447.573	CEIUOCYOFCNLKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136829
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12	MCULE-7487614960,EMOLS-id_20439965,PC-id_45179697	447.573	KNAQVVTZRTZOGK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136830
Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1C	CoCoCo_1396607,EMOLS-id_20585449,PC-id_26351470,ZINC22_14995853,CoCoCo_1396606,MCULE-1230691555	447.573	VVVIPYHBCFSVND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136831
Cc1cc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C	CoCoCo_1285573,CoCoCo_1285574,ZINC22_20776114,PC-id_29150320	447.573	GWWZMTOVRYNYHY-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136832
Cc1cc(C)c(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C	PC-id_29150321,ZINC22_20776118,CoCoCo_1285575,CoCoCo_1285576	447.573	GWWZMTOVRYNYHY-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136833
Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(OC(C)C)cc2)CC3)cc1	CoCoCo_1400866,ZINC22_14997721,MCULE-9678416835,EMOLS-id_20588339,PC-id_26353511,CoCoCo_1400865	447.573	PLHUXLAKZYEFJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136834
Cc1nn2CC[C@@H](C(=O)N(c2c1)C)/C=C/CCC(=O)C(=N)N=C[C@@H](C)CCc1ccccc1	PC-id_135136264	447.573	NMDLBZTVDZVSLV-KTRAJCNJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136835
C/C(=Cc1ccccc1)/CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1	CoCoCo_1269117,PC-id_42372971,CoCoCo_1269115,ZINC22_12042137	447.573	OXKAHCNZPABTOH-YMQJMOIJSA-N	00000000101000110101000000000010000000000000000000000000	31-01-136836
C/C(=Cc1ccccc1)/CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1	CoCoCo_1269121,PC-id_42372975,ZINC22_12042140,CoCoCo_1269119	447.573	OXKAHCNZPABTOH-YDPLAMGBSA-N	00000000101000110101000000000010000000000000000000000000	31-01-136837
CC(C)c1ccc(OCc2cc([C@@H]3CCN(C(=O)c4[nH]nc5c4CCCCC5)C3)n[nH]2)cc1	ZINC22_19704615	447.573	ZHWSHCHWTMNMCX-LJQANCHMSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136838
CC(C)c1ccc(OCc2cc([C@H]3CCN(C(=O)c4[nH]nc5c4CCCCC5)C3)n[nH]2)cc1	ZINC22_19704616	447.573	ZHWSHCHWTMNMCX-IBGZPJMESA-N	00000010100000110101100000000010000000000000000000000000	31-01-136839
CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)cc1	PC-id_29151997,CoCoCo_1294805,MCULE-4332628816,CoCoCo_1294806,EMOLS-id_20516271,ZINC22_20780678	447.573	UONFWKJEQRXYKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136840
CC(C)CC(NC(=O)c1ccco1)c1nnc2CCN(C/C(=C/c3ccccc3)/C)CCn12	PC-id_45193177,EMOLS-id_25998773	447.573	OXKAHCNZPABTOH-LVZFUZTISA-N	00000000101000110101000000000010000000000000000000000000	31-01-136841
s1c2c(CCCCC2)c(c1NC(=S)N(Cc1ccccc1)c1ccccc1)C(=O)OC	PC-id_19678444	450.616	QGTVGTUXIJXAEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138020
CC(C[C@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccccc1)/C)NC(=O)c1ccco1)C	CoCoCo_1269116,CoCoCo_1269114	447.573	OXKAHCNZPABTOH-XPUAKXTGSA-N	00000000101000110101000000000010000000000000000000000000	31-01-136842
CC(C[C@@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccccc1)/C)NC(=O)c1ccco1)C	CoCoCo_1269120,CoCoCo_1269118	447.573	OXKAHCNZPABTOH-DBJZRZIFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-136843
CC(C)C(=O)NCCc1nnc2CCN(Cc3ccc(OCc4ccccc4)cc3)CCn12	EMOLS-id_20471521,MCULE-8685416207,CoCoCo_1230685,ChEMBL-DNDi_CHEMBL22534779,PC-id_42190632,CoCoCo_1230684,ZINC22_11814168	447.573	MCTMZCUWRYAYOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136844
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2)C(C)C	CoCoCo_1162687,ZINC22_12184005,PC-id_42449379,CoCoCo_1162686	447.573	CEIUOCYOFCNLKQ-RUZDIDTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-136845
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2)C(C)C	CoCoCo_1162689,CoCoCo_1162688,ZINC22_12183999,PC-id_42449377	447.573	CEIUOCYOFCNLKQ-VWLOTQADSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136846
C[C@@H](CCc1ccccc1)/C=N/C(=N)C(=O)CC/C=C/[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL20282729	447.573	NMDLBZTVDZVSLV-VIWARWBDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136847
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3cc(C)c(C)cc3C)CCn12	MCULE-3851584444,PC-id_45195782,EMOLS-id_20509979	447.573	GWWZMTOVRYNYHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136848
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(cc3)C(C)C)CCn12	PC-id_29153377,CoCoCo_1303085,ZINC22_20783845,MCULE-3417062299,CoCoCo_1303086,EMOLS-id_20521925	447.573	UNEGDNKOAICFCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136849
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(CCC(C)c3ccccc3)CCn12	PC-id_45218318,EMOLS-id_20607279,MCULE-5286597883	447.573	JOUUTJAPTLROPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136850
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)c(C)c1C	MCULE-4560229435,PC-id_26345287,EMOLS-id_20573067,CoCoCo_1377931,ZINC22_14990534,CoCoCo_1377932	447.573	UFTKNLWOFRVHNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136851
COc1ccc(C(=O)NCCc2nnc3n2CCN(CC[C@H](C)c2ccccc2)CC3)cc1	CoCoCo_1429117,PC-id_26317089,CoCoCo_1429119,ZINC22_14952234	447.573	JOUUTJAPTLROPK-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136852
COc1ccc(C(=O)NCCc2nnc3n2CCN(CC[C@@H](C)c2ccccc2)CC3)cc1	CoCoCo_1429118,CoCoCo_1429116,PC-id_26317086,ZINC22_14952226	447.573	JOUUTJAPTLROPK-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136853
COCCC(=O)NC(c1nnc2n1CCN(CC2)CC(c1ccccc1)c1ccccc1)C	MCULE-4823966646,PC-id_45226796,EMOLS-id_20643019	447.573	RYFCYEXBTLYEGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136854
COCCC(=O)NC(C)c1nnc2CCN(Cc3cccc(c3)c3ccccc3C)CCn12	MCULE-1770957462,EMOLS-id_20490559,PC-id_45191357	447.573	OWHDTLWBFYGUGC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136855
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(cc3)c3ccccc3C)CCn12	MCULE-8599883358,PC-id_45202213,EMOLS-id_20538109	447.573	IUDWPERKMMWEMY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136856
COCCC(=O)N[C@@H](c1nnc2n1CCN(CC2)CC(c1ccccc1)c1ccccc1)C	CoCoCo_1483187,PC-id_26336823,CoCoCo_1483186	447.573	RYFCYEXBTLYEGU-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136857
COCCC(=O)N[C@H](c1nnc2n1CCN(CC2)CC(c1ccccc1)c1ccccc1)C	PC-id_26336819,CoCoCo_1483188,CoCoCo_1483189	447.573	RYFCYEXBTLYEGU-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136858
Brc1cc2c(noc2c(=O)c(Br)c1)/C=C/c1cc2OCOc2cc1	PC-id_56965199	451.066	JBWWRJNAGZFBDU-HNQUOIGGSA-N	00000010100000100111000000001010000000000000000000000000	31-01-138078
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(c3ccccc3C)cc1)CC2	CoCoCo_1326359,ZINC22_20913580,CoCoCo_1326360	447.573	IUDWPERKMMWEMY-HXUWFJFHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136859
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(c3ccccc3C)cc1)CC2	CoCoCo_1326361,ZINC22_20913573,CoCoCo_1326362	447.573	IUDWPERKMMWEMY-FQEVSTJZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136860
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(c3ccccc3C)c1)CC2	CoCoCo_1257618,CoCoCo_1257619,ZINC22_20598962	447.573	OWHDTLWBFYGUGC-HXUWFJFHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136861
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(c3ccccc3C)c1)CC2	ZINC22_20598961,CoCoCo_1257621,CoCoCo_1257620	447.573	OWHDTLWBFYGUGC-FQEVSTJZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136862
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2)C(C)C	CoCoCo_1186626,CoCoCo_1186625,ZINC22_12202276,PC-id_42460667	447.573	KNAQVVTZRTZOGK-RUZDIDTESA-N	00000000100000110101100000000010000000000000000000000000	31-01-136863
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2)C(C)C	ZINC22_12202269,PC-id_42460661,CoCoCo_1186628,CoCoCo_1186627	447.573	KNAQVVTZRTZOGK-VWLOTQADSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136864
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(CC2OCCC2)c(=O)[nH]n1)C)C#N	PC-id_55421585	447.574	DTMCSSOZZWKGFD-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-136865
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCCCCCCCCC2)c1C(=O)OC	TIMTEC261088,MCULE-5087596213,PC-id_5171423,EMOLS-id_4134347	447.588	KGXLDPOLPLEHKB-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-136866
CCOC(=O)c1c(NC(=O)[C@H]2CC(=C(C[C@@H]2C(=O)O)C)C)sc2c1CCCCCCC2	CoCoCo_5811266	447.588	GLQSLCCADDVPJK-ROUUACIJSA-N	00000000100011000100000000000010000000000000000000000000	31-01-136867
CCOC(=O)c1c(NC(=O)[C@H]2CC(=C(C[C@H]2C(=O)O)C)C)sc2c1CCCCCCC2	CoCoCo_5811267	447.588	GLQSLCCADDVPJK-ZWKOTPCHSA-N	00000000100011000100000000000010000000000000000000000000	31-01-136868
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=C(C[C@@H]2C(=O)O)C)C)sc2c1CCCCCCC2	CoCoCo_5811268	447.588	GLQSLCCADDVPJK-MSOLQXFVSA-N	00000000100011000100000000000010000000000000000000000000	31-01-136869
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=C(C[C@H]2C(=O)O)C)C)sc2c1CCCCCCC2	CoCoCo_5811269	447.588	GLQSLCCADDVPJK-QZTJIDSGSA-N	00000000100011000100000000000010000000000000000000000000	31-01-136870
COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	PC-id_40436561,CoCoCo_6012617,ZINC22_2755708	447.588	KGXLDPOLPLEHKB-DLBZAZTESA-N	00000000100011000100000000000010000000000000000000000000	31-01-136871
COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	PC-id_40436563,CoCoCo_6012619,ZINC22_2755709	447.588	KGXLDPOLPLEHKB-IAGOWNOFSA-N	00000000100011000100000000000010000000000000000000000000	31-01-136872
COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	PC-id_40436565,ZINC22_2755710,CoCoCo_6012618	447.588	KGXLDPOLPLEHKB-IRXDYDNUSA-N	00000000100011000100000000000010000000000000000000000000	31-01-136873
COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	PC-id_40436567,ZINC22_2755711,CoCoCo_6012616	447.588	KGXLDPOLPLEHKB-SJORKVTESA-N	00000000100011000100000000000010000000000000000000000000	31-01-136874
s1c2c(CCCCCCC2)c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)O)C(=O)OCC	PC-id_4300426	447.588	GLQSLCCADDVPJK-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-136875
N#Cc1ccc(cc1)CN1CCN(CC1)C(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	MCULE-5594804094,PC-id_17554807	447.596	RCUDDVXUFUJLTK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136895
c1(NC(=O)C(c2ccccc2)c2ccccc2)sc2c(CCCCC2)c1C(=O)OCCC	SPECS-id_AK-968/11992667,TIMTEC326702,EMOLS-id_4134353,PC-id_1741313,ZINC22_2082065,CoCoCo_6786063,MCULE-4548851068	447.589	NBZQBJOJHRMPSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136876
s1c2c(CCCCC2)c(c1NC(=O)C(c1ccccc1)c1ccccc1)C(=O)OC(C)C	PC-id_4150556	447.589	VWJYLERCZRUDKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136877
s1c2c(CCCCC2)c(c1NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)OCC	PC-id_4180880	447.589	CNLCGDFMZBDIIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136878
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(F)cc1)C(=O)OC	PC-id_19654408	447.589	PORLFZKKPDIBDC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136879
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(F)cccc1)C(=O)OC	PC-id_19654939	447.589	VLDNMJIMVTXXRA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136880
s1c2c(CCCCCC2)c(c1NC(=O)C(c1ccccc1)c1ccccc1)C(=O)OCC	PC-id_3388394	447.589	RRSDXGPDCLQLLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136881
s1c2c(CCCCCC2)c(c1NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_4140056	447.589	FLPJYJJAUYYPNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136882
O=C(CC1(CCCC1)CC(=O)N1CCOCC1)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_4637777,MCULE-2036299296,PC-id_25475233,EMOLS-id_18823706	447.591	IXIKGTRVEMVSCM-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-136883
O=S(=O)(c1ccccc1)Nc1sc2c(c1S(=O)(=O)c1ccccc1)CCCCC2	SCHEMBL5258127,PC-id_69374664	447.591	FOFSJPHYDVKRCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136884
c1(NC(=O)CCC(=O)N(Cc2ccccc2)Cc2ccccc2)sc2c(CCCCC2)n1	MCULE-8809719404,EMOLS-id_334758735	447.592	VKCCWBOORFAWLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136885
c1(NC(=O)CSc2ncnc3sccc23)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_2220031,ZINC22_1803365,CoCoCo_946135,MCULE-4261507356,PC-id_1587981	447.594	SCSOUIOXXDJUFH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-136886
s1c2CCCCCc2cc1C(=O)Nc1scc(n1)c1ccc(NS(=O)(=O)C)cc1	PC-id_24568420	447.594	ZKZHRGIRULIMBD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136887
s1c2CCCCCc2nc1NC(=O)c1ccc(S(=O)(=O)NCc2sccc2)cc1	PC-id_56170255	447.594	NQVHJPUTBBAQQR-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-136888
S(=O)(=O)(NC(CC(C)C)C(=O)NCCc1n2CCCCCc2nn1)c1ccc(cc1)C	PC-id_60389561	447.594	YMXLNWBJYQBRPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136889
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(Cc2ccc(C#N)cc2)CC1	CoCoCo_4229407,ZINC22_22928769,PC-id_30735459,CoCoCo_4229408	447.596	RCUDDVXUFUJLTK-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136890
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(Cc2ccc(C#N)cc2)CC1	CoCoCo_4229410,PC-id_30735455,ZINC22_22928765,CoCoCo_4229409	447.596	RCUDDVXUFUJLTK-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136891
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1cnn(Cc2ccccc2)c1	CoCoCo_4245080,CoCoCo_4245079,PC-id_41189158,ZINC22_9728227	447.596	HUNPQKXSUHRVPL-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136892
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1cnn(Cc2ccccc2)c1	ZINC22_9728224,CoCoCo_4245077,CoCoCo_4245078,PC-id_41189155	447.596	HUNPQKXSUHRVPL-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136893
N#Cc1ccc(cc1)CN1CCN(CC1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_3597598,CoCoCo_3597597,PC-id_16322313	447.596	ZUCIYHRIJGQCKC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136894
N#Cc1c(NC(=O)C(N(Cc2cnn(c2)Cc2ccccc2)C)C)sc2c1CCCCC2	MCULE-2733693166,PC-id_16329169,EMOLS-id_11765693	447.596	HUNPQKXSUHRVPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136896
N#CC(c1ccccc1)N1CCN(CC1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_112806939	447.596	HRHDZWUUVIFOSG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136897
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cccnc1)CC(C)C)c1cc(cc(c1)C)C	PC-id_74800949	447.596	UYJXWMFHOROHQH-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-136898
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N(C)C)cc1)C)CCc1ccccc1	PC-id_74781699	447.596	AVVOBYHWXNPXBI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-136899
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cccnc1)CC(C)C)c1cc(cc(c1)C)C	PC-id_42405623	447.596	UYJXWMFHOROHQH-HSZRJFAPSA-O	00000000100000111101000000000010000000000000000000000000	31-01-136900
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cccnc1)CC(C)C)c1cc(cc(c1)C)C	PC-id_42405625	447.596	UYJXWMFHOROHQH-QHCPKHFHSA-O	00000000100000111101000000000010000000000000000000000000	31-01-136901
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(C)C)cc1)C)CCc1ccccc1	PC-id_42212562	447.596	AVVOBYHWXNPXBI-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-136902
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(C)C)cc1)C)CCc1ccccc1	PC-id_42212565	447.596	AVVOBYHWXNPXBI-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-136903
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCCN(CC1)c1ccc(cc1)C#N)C#N	PC-id_55703343	447.596	ZGNBZPJHFOSUTM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136904
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCCN(CC1)c1ccc(cc1)C#N)C)C#N	PC-id_55850334	447.596	JTGZZKXXOYUZTG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-136905
CCNC(=NCCc1nnc2n1CCCCC2)NC(c1sc(c(n1)C)C(=O)OCC)C	PC-id_109696451	447.597	WKZGRNJTGPXGDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136906
CCOC(=O)c1sc(nc1C)C(NC(=NC)NCCCc1nnc2n1CCCCC2)C	PC-id_109695235	447.597	BSDZKXRXFLCRNN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136907
s1c2CCCCCc2cc1C(=O)NNC(=O)CCn1c(n[nH]c1=S)c1sccc1	PC-id_31846367	447.597	XJRASNFXJADHRL-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-136908
s1c2CCCCCc2cc1C(=O)NNC(=O)C(n1c(n[nH]c1=S)c1sccc1)C	PC-id_56357724	447.597	BHZBYBQKTJWMBR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-136909
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cn1c(n[nH]c1=S)c1sccc1	PC-id_25444182	447.597	PTTPZJQWAFWBFE-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-136910
CCc1ccc(cc1)/C(=C/C/C=C/c1c[nH]c2c1C=CC=CC2)/C=C(/c1ccc(cc1)CC)O	SCHEMBL19057705	447.611	CBDWGRAFRHRFKV-IMNNZGPZSA-N	00000000100000110110000000000010000000000000000000000000	31-01-136911
CC(C)CC(CO)NC(=O)C1CCCCCCCCCCCC(=O)c2ccc([nH]2)C(=O)N1	SCHEMBL15717609,PC-id_90157135	447.611	ZQUBIEWERKOHDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136912
OC[C@@H](N1C(CCCCCCCCCCCC(=O)c2[nH]c(C1=O)cc2)C(=O)N)CC(C)C	PC-id_140694551	447.611	KBRHRIADDYGAAH-YDNXMHBPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136913
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OC[C@@H](NC(=O)[C@@H]1CCCCCCCCCCCC(=O)c2[nH]c(C(=O)N1)cc2)CC(C)C	SCHEMBL15717605	447.611	ZQUBIEWERKOHDX-FPOVZHCZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136915
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(OC)cc1)C(=O)OCC	PC-id_41086461	447.611	MGOOTSSJBQZWOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136916
c1(sc2c(CCCCC2)n1)NC(=O)[C@H]1CC[C@@H](CC1)CNS(=O)(=O)c1ccccc1	MCULE-9946161941,EMOLS-id_323477303	447.614	AUTOHVZTNWDOBE-QAQDUYKDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136917
C/C/1=CCC(=O)/C=C/C=Cc2csc([C@H](NC(=O)C[C@@](CC1)(S)C(C(=O)N)C)C)n2	PC-id_143121214	447.614	VDHZTMDAUJMBLV-KIIWYTSZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-136918
C/C/1=CCC(=O)/C=C/C=Cc2csc(C(NC(=O)C[C@@](CC1)(S)C(C(=O)N)C)C)n2	PC-id_143121216	447.614	VDHZTMDAUJMBLV-OKZFYRRKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-136919
CC(c1ccc(c2-c(c1)c(C)cc2/C=C/c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C)C	PC-id_101439609	447.614	BKMROJKZRGQZQV-KLCAPZACSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136920
CCS(=O)(=O)N1CCC(CC1)(c1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807878	447.614	UQHLGKBBBZNYIZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-136921
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1occc1)C(=O)OCC	PC-id_20176402	447.614	LXSLSQVRAFJVNZ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-136922
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(cc(n1)C)C)C(=O)OCC	PC-id_23746313	447.614	NJKNYHDXPMARAN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-136923
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1occc1)C(=O)OC	PC-id_20176395	447.614	DSJZFTQRPZAJEO-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-136924
s1c2CCCCCCc2nc1NC(=O)C(NC(=O)c1c(OC)cccc1)CCSC	PC-id_56022367	447.614	GXWUXEHJCYCGBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136925
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCc2n1)c1c(cc(cc1)C)C	PC-id_24603984	447.614	KWARJDQVACRMCE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136926
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCCc2n1)c1ccc(cc1)C	PC-id_60572157	447.614	LOCOHYRDAFEIEC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136927
CCNC(=NCCCc1nnc2n1CCCCC2)NC1CCCN(C1)C(=O)OC(C)(C)C	PC-id_112077250	447.617	CXBACNVREKXAND-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136928
CN=C(N1CCC(CC1)CN(C(=O)OC(C)(C)C)CC)NCc1nnc2n1CCCCC2	PC-id_109563150	447.617	ULISPZUXRDCTDU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136929
CN=C(NC1CCC(CC1)NC(=O)OC(C)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_112079107	447.617	PCKIIDJUGPTSPC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136930
s1c2CCCCCCCCCCc2nc1NC(=O)CN(c1ccccc1)c1ccccc1	PC-id_30377006	447.635	HDXVESOSVVNBBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136931
N#Cc1c(NC(=O)CSc2nnc(s2)NC2CCCCC2)sc2c1CCCCC2	GD-id_ZINC36676698,PC-id_45711540	447.64	HPQZLPJVXNSZGL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136932
CCNC(=NCC(N1CCOCC1)C(CC)CC)NCCCc1nnc2n1CCCCC2	PC-id_111936549	447.66	RKELQYLWWOFNCU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136933
C/C(=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C)/C=C1C=C(c2c1c(C)[cH+]cc(c2)C(C)C)C	PC-id_101065471	447.673	FLWAXINYKQEIAU-USRSNJJVSA-N	00000011100000000110000000000010000000000000000000000000	31-01-136934
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2c(F)cccc2Cl)CC3)o1	ZINC22_20599328,PC-id_29085904,MCULE-6804939449,CoCoCo_1260606,CoCoCo_1260607,EMOLS-id_20492565,ChEMBL-DNDi_CHEMBL26411460	447.89	LZRRHHSSNDGPQB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-136935
Clc1cc([N+](=O)[O-])c(C(=O)OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)cc1	PC-id_16962611	447.892	GUFYPJOIEXBKFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136936
Clc1cc([N+](=O)[O-])c(C(=O)O[C@H](C(=O)Nc2sc3CCCCCc3c2C#N)C)cc1	PC-id_51862481	447.892	GUFYPJOIEXBKFH-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-136937
Clc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C(=O)Nc2sc3CCCCCc3c2C#N)C)cc1	PC-id_51862482	447.892	GUFYPJOIEXBKFH-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136938
Clc1c(C(=O)OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)cc([N+](=O)[O-])cc1	PC-id_55417800	447.892	YGAOCPXFLJBOBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136939
Clc1cc2OCOc2cc1CN1CCc2nnc(CCNC(=O)C3CCCO3)n2CC1	MCULE-8277839191,PC-id_45208630,EMOLS-id_20566169	447.915	IMFDEGNTTOZYPF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-136940
Clc1ccc(OCC(=O)N2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55888553	447.915	DQUXNTUTXOBHLJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136941
O=C(NCCc1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2)[C@@H]1CCCO1	CoCoCo_1367429,CoCoCo_1367427,PC-id_26341630,ZINC22_14987112	447.915	IMFDEGNTTOZYPF-INIZCTEOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-136942
O=C(NCCc1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2)[C@H]1CCCO1	ZINC22_14987115,PC-id_26341634,CoCoCo_1367426,CoCoCo_1367428	447.915	IMFDEGNTTOZYPF-MRXNPFEDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-136943
ClC1=[N+](C2C(=N1)N(C(=O)N(C2=O)C)C)CC(=O)Nc1sc2c(CCCCC2)c1C#N	PC-id_85461839	447.918	QNVPDZLKXPLOOR-UHFFFAOYSA-O	00000011100010000101000000000110000000000000000000000000	31-01-136944
Clc1cc(cnc1N1CC[NH+](CC1)Cn1nc2n(c1=S)CCCCC2)C(F)(F)F	PC-id_26002685,GD-id_ZINC14230930	447.929	IWCWPBZHCVDYAE-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-136945
c1(NC(=O)c2ccc(Cn3cc(cn3)Cl)o2)sc2c(CCCCC2)c1C(=O)OCC	SPECS-id_AK-968/41024494,EMOLS-id_1998887,ZINC22_649415,MCULE-5066040971,PC-id_995855,ChEMBL-DNDi_CHEMBL7524333,CoCoCo_939817,TIMTEC368965	447.935	OXIAKLAIGOIMLK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-136946
c1(NC(=O)C(=O)NN=Cc2ccccc2Cl)sc2c(CCCCC2)c1C(=O)OCC	PC-id_1844258,MCULE-2229164882	447.935	SULQIMUTUQYHKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136947
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2Cl)sc2c1CCCCC2	STOCK4S-62470,PC-id_6878483,EMOLS-id_26345860	447.935	SULQIMUTUQYHKX-FSJBWODESA-N	00000000100000110100000000000010000000000000000000000000	31-01-136948
Clc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_19659993	447.935	DRZFCKGYPMGLDG-FSJBWODESA-N	00000000100000110100000000000010000000000000000000000000	31-01-136949
Clc1ccc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_73634460	447.935	DRZFCKGYPMGLDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136950
CCn1nc2CCC(CCn2c1=O)C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1	MCULE-5179758178,EMOLS-id_207876851	447.958	SQSHUJVGWYJMHN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136951
COc1cc(Cl)c(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1OC	MCULE-8479489939,CoCoCo_1124342,ChEMBL-DNDi_CHEMBL10879358,CoCoCo_1124343,PC-id_30852389,ZINC22_23128952,EMOLS-id_20394392	447.958	LJGIZQWYBGSPMT-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-136952
c1(C(=O)NCC(c2ccc(cc2)Cl)Cc2[nH]c3c(cccc3)n2)c2CCCCCc2[nH]n1	MCULE-8293364641,EMOLS-id_323251124	447.96	BLWXCPWUKYVZLG-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-136953
Clc1c(C(=O)NC(C(C)C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cccc1	PC-id_76279161	447.978	SMQRHQIEURCBDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136954
Clc1c(C(=O)N[C@@H](C(C)C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cccc1	PC-id_55944244	447.978	SMQRHQIEURCBDY-SFHVURJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136955
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)c(Cl)c2c(cccc2)s1	CoCoCo_6792191,EMOLS-id_4134567,MCULE-1779566081,PC-id_5109062,ZINC22_2740660,SPECS-id_AK-968/12117341,TIMTEC248746	447.998	JTHBIGPIJAUMNX-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-136956
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)c(Cl)c2c(cccc2)s1	EMOLS-id_4134565,MCULE-3449510972,SPECS-id_AK-968/12265069,ZINC22_2084414,TIMTEC136996,PC-id_1743172,CoCoCo_6785710	447.998	DYOCAYGABKHEPS-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-136957
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(Cl)c2c(cc(cc2)C)s1	CoCoCo_5817251,ZINC22_2740659,PC-id_4120963,TIMTEC516525,EMOLS-id_4134563,SPECS-id_AK-968/12117339,MCULE-9620395581	447.998	VZXFPIGPQXMSPW-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-136958
Clc1c(sc2c1ccc(c2)C)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_3437999	447.998	KFDNSDDTBBEAPM-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-136959
Clc1c(sc2c1cccc2)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_5067041	447.998	QNEFNUZJGASASJ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-136960
CC(C)c1ccc2-c(c(cc2S)CCCCNS(=O)(=O)c2ccc(cc2)Cl)cc1	SCHEMBL20694078,PC-id_137454963	448.041	YMJQBSVERDIMLG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-136961
Clc1ccc(cc1)Cn1c(CC(C(=O)O)(C)C)c(c2c1CCCCC2)SC(C)(C)C	PC-id_139633751	448.061	OKWQRGOERRRLLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136962
O=C1C=CC(=O)Oc2n(O1)cc(n2)C(c1scc(c1Br)Br)C	PC-id_140380183	448.087	STSXFPGGUCCSIJ-UHFFFAOYSA-N	00000000100100000111000000000010000000000000000000000000	31-01-136963
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CC3=NC=C(S3)CNC(=O)C2=O	PC-id_148859722	448.113	OZBVOMJABKBBGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136964
CC1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)C(CC=C)O	PC-id_155062004	448.122	MLGYQORPZXTRJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136965
C[C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)[C@H](CC=C)O	PC-id_155061955	448.122	MLGYQORPZXTRJL-JXFKEZNVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136966
C[C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)[C@@H](CC=C)O	PC-id_155061959	448.122	MLGYQORPZXTRJL-UZLBHIALSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136967
C[C@@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)[C@H](CC=C)O	PC-id_155257975	448.122	MLGYQORPZXTRJL-OXJNMPFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136968
C[C@@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)[C@@H](CC=C)O	PC-id_155257977	448.122	MLGYQORPZXTRJL-OXQOHEQNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136969
CC(CC=C)(C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155062057	448.122	GUSRCJLVUQDFSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136970
C[C@](CC=C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155061974	448.122	GUSRCJLVUQDFSQ-UZLBHIALSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136971
CC(CC=C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155062037	448.122	GUSRCJLVUQDFSQ-QRIPLOBPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136972
CC(=C)C(C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155062101	448.122	KIBSFUFYOIFKEH-QRIPLOBPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136973
CC(CC=C)([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155257978	448.122	GUSRCJLVUQDFSQ-DJZRFWRSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136974
C[C@@](CC=C)([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155257986	448.122	GUSRCJLVUQDFSQ-OXJNMPFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136975
C[C@@](CC=C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155258036	448.122	GUSRCJLVUQDFSQ-OXQOHEQNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136976
Brc1cc(sc1Br)C(=O)NCCc1n2CCCCCc2nn1	PC-id_55488083	448.176	CRGYXOIYEFXWDN-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-136977
Ic1c(F)cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1F	PC-id_56300401	448.206	HMWJYIKHLNQOPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136978
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3CCCN(C3)C(=O)C	PC-id_155203766	448.269	SJXVCCHONLCFNJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136979
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3CCN(CC3)C(=O)C	PC-id_155203689	448.269	BINWIYBSQRTOOR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-136980
CC(C)C(C(=O)CC1CC2=CN=C(N2)CCCCNC(=O)C1=O)NC(=O)OCC(C)(C)C	PC-id_160891789	448.269	SOJCVGFQKFZZKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136981
CC(C)C(C(=O)CC1CC2=NN(CCCCNC(=O)C1=O)C=C2)NC(=O)OCC(C)(C)C	PC-id_161239062	448.269	UZTJFIRVMBEVRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136982
CC(C)C(C(=O)CC1CCC2=NNC(=C2)CCCNC(=O)C1=O)NC(=O)OCC(C)(C)C	PC-id_161535124	448.269	WLDGXQBCJNNZGH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136983
CC(C)C(C(=O)CC1CCCN2C=C(CCNC(=O)C1=O)C=N2)NC(=O)OCC(C)(C)C	PC-id_161049601	448.269	UBYMHKAYGBSJRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136984
Brc1c(n(nc1)CC)CNC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F	PC-id_19523832	448.281	HZLDMTLOSHYAEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-136985
C[C@H]1CCc2c(S(=O)(=O)N1)c(n(c2C(=O)Nc1ccc(c(c1)F)F)C)Br	PC-id_140762612	448.282	UEIJPTIZWUCSPF-QMMMGPOBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136986
Clc1c(Oc2c(NC(=O)Cn3nc4n(CCCCC4)c3=O)cccc2)ncc(Cl)c1	PC-id_55764842	448.303	JMVWCSIYWUQHIG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-136987
Clc1ccc(c(c1)Cl)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C	SCHEMBL18366781	448.306	DSCHRMLEJOUNLH-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136988
O=C1[C@H](CCn2c(N1C)cc(n2)C)NC(=O)c1ncn(n1)Cc1cccc(c1Cl)Cl	SCHEMBL18366778	448.306	JCSWCRJYHPSZGU-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136989
c1(CN(c2ccc(cc2)F)C(=O)Nc2ccc(c(Cl)c2)Cl)nnc2CCCCCn12	EMOLS-id_10084860,CoCoCo_6270454,MCULE-5933195090,ZINC22_22079428,PC-id_24159074	448.321	IKEWYGXLFKFDCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136990
n1c2CCCCCn2nc1CN(c1ccc(cc1)F)C(=O)Nc1ccc(c(Cl)c1)Cl	MCULE-3711960939,CoCoCo_6601108,PC-id_16458703,ZINC22_28527647	448.321	BWUORDMCNAHOOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-136991
Clc1cc2c(C(=O)N(CC(=O)Nc3sc4CCCCCc4c3C#N)C2=O)cc1Cl	PC-id_38916633	448.322	INUVEPHTTXVGJF-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-136992
Fc1cc(B)c2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCCC1)/C(=O)N2	SCHEMBL13480250	448.341	HFHIYROKQPSZAJ-JXAWBTAJSA-N	00000010100010100100000000001010000000000000000000000000	31-01-136993
Brc1cc(N2CC(CC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56051710	448.357	LZSIPFNWKVWSAS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-136994
COc1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1Br	EMOLS-id_13568902,ZINC22_14245309,PC-id_17479393,MCULE-2311855946,CoCoCo_4469558	448.357	QJAXZCMSLYBXSK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-136995
C=C(S/C(=C(/N)C)/C(=O)c1c(Cl)ccc(c1Cl)N)NC1=CCC=c2c(=C1)[nH]cn2	PC-id_141950133	448.369	VWOUQIORILXQCH-KEBDBYFISA-N	00000000100000110111000000000010000000000000000000000000	31-01-136996
Brc1ccc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	CoCoCo_6257113,PC-id_5866838	448.373	UUPMKZSCGWBHFF-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136997
Brc1ccc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_3581730	448.373	UUPMKZSCGWBHFF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136998
Brc1ccc(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_4586614	448.373	QAPVNRXVWIOCDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-136999
Brc1ccc(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_6157212	448.373	QAPVNRXVWIOCDD-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137000
CCOC(=O)c1c(NC(=O)/C=Cc2ccc(cc2)Br)sc2c1CCCCC2	CoCoCo_6257114	448.373	UUPMKZSCGWBHFF-RAXLEYEMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137001
Brc1ccc(C(=O)N2C(CCC2)C(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_56294421	448.377	CSTOOOUVLXGCAZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-137002
CCCCCCC1(CCCCCC)COc2c(OC1)c(oc2I)C	SCHEMBL12514135,PC-id_68303167	448.379	TYRLSEPBLIMGCL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137003
CCOC(=O)c1c(NS(=O)(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCC2	SPECS-id_AK-968/15253003,ZINC22_672960,CoCoCo_5824134,MCULE-1601561571,TIMTEC433960,EMOLS-id_4134757,PC-id_1012125	448.384	RRZMWANATJXEKS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137004
OC(=O)c1cccc2-c(c1)c(cc2C(=O)c1ccccc1)C(=O)c1ccc(cc1)C(F)(F)F	PC-id_145989220	448.39	ZYWKFRIKJOMAPO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-137005
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1ccc(cc1)OC(F)(F)F)[N+](=O)[O-]	PC-id_89580059,SCHEMBL14965624	448.395	JPACVVDPYLSLAZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137006
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1cc(ccc1)OC(F)(F)F)[N+](=O)[O-]	PC-id_89580081,SCHEMBL14965658	448.395	NFPRYPNPYSMLDN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137007
Brc1ccc(cc1)C(=O)NC(=S)Nc1sc2CCCCCCc2c1C#N	EMOLS-id_4457317,TIMTEC585416,STOCK2S-75701,CoCoCo_1740193,PC-id_1933159,ZINC22_2316569,MCULE-6377183680	448.4	YYSLMVJUEUZWBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137008
Brc1ccccc1C(=O)NC(=S)Nc1sc2CCCCCCc2c1C#N	EMOLS-id_6778794,PC-id_5094820,CoCoCo_1962548,TIMTEC285417,ZINC22_3617531,MCULE-5904861050	448.4	LHZGWKAEIUEQOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137009
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOC(P=O)(C)C	PC-id_139910142	448.406	MGFLGAIHAVHVQW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137010
C[C@H](C(F)(F)F)C1CC=Cc2c(S1(=O)=O)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18352922	448.407	WYLDOUMLLQSDLJ-MYHCZTBNSA-N	00000000100000110110000000000010000000000000000000000000	31-01-137011
S(=O)(=O)(c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(OC)cc1)C(F)(F)F	PC-id_56342886	448.417	BGBBCGGFTJZHNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137012
o1c(=O)c(C(c2c3-c(oc2=O)ccccc3)c2c3-c(oc2=O)ccccc3)c2-c1ccccc2	PC-id_10789630	448.423	PDFPDEMDWVVXAU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137013
Fc1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(F)ccc(F)c3)C)CC2)ccc1F	PC-id_42238145	448.437	ZIDZETYQLSMMGV-CYBMUJFWSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137014
Fc1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(F)ccc(F)c3)C)CC2)ccc1F	PC-id_42238147	448.437	ZIDZETYQLSMMGV-ZDUSSCGKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137015
Fc1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(F)ccc(F)c3)C)CC2)ccc1F	PC-id_74784717	448.437	ZIDZETYQLSMMGV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137016
FC(F)(F)c1ccc(C[NH+]2CCn3c(nnc3CNC(=O)c3cc(F)ccc3)CC2)cc1	PC-id_42340592	448.437	GHGXMGLQUDDOGV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137017
FC(F)(F)c1cc(C[NH+]2CCn3c(nnc3CNC(=O)c3cc(F)ccc3)CC2)ccc1	PC-id_42347526	448.437	GEZCZMFHEKUGAJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137018
FC(F)(F)C(=O)N(c1n(c2C(=Cc3cc(c(OC)c(c3)C)C)C(=O)N(C=Cc2n1)C)C)C	PC-id_49837082	448.438	JQULBCJWNGBMOE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-137019
FC(F)(F)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(n2nc(cc2C)C)cc1	PC-id_78878875	448.442	JYYJAAHFAZUOMC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137020
O=C(c1n(C)cc2c1OC[C@@H](NS2(=O)=O)Cc1cccnc1)Nc1ccc(c(c1)F)F	SCHEMBL18352919	448.443	KPNXDDWFSJJSSO-AWEZNQCLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137021
O=C(c1n(C)cc2c1OCC(NS2=O)C(c1cccnc1)O)Nc1ccc(c(c1)F)F	SCHEMBL21337054,PC-id_139471058	448.443	FLKBKFZIIRUQJD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137022
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)Cc1cccnc1)Nc1ccc(c(c1)F)F	PC-id_140762767	448.443	KPNXDDWFSJJSSO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137023
N#Cc1c(NC(=O)COC(=O)/C=Cc2cccc(c2)C(F)(F)F)sc2c1CCCCC2	CoCoCo_2931243	448.458	OELJSOLXWGDWBQ-KTKRTIGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137024
N#Cc1c(NC(=O)COC(=O)C=Cc2cccc(c2)C(F)(F)F)sc2c1CCCCC2	EMOLS-id_43726230,PC-id_3473800,MCULE-3304798597	448.458	OELJSOLXWGDWBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137025
N#Cc1c(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)sc2c1CCCCC2	PC-id_2410052,ZINC22_3294461,CoCoCo_2931242	448.458	OELJSOLXWGDWBQ-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137026
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)F)F	PC-id_19102847,SCHEMBL9339342	448.461	IIRDJIMQEINNQL-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-137027
O=C(c1cc2c(s1)CCCCC2)NNC(=O)c1cnn(c1C(F)(F)F)c1ccccc1	PC-id_25527627,CoCoCo_4684180,MCULE-9712366770,EMOLS-id_18843128	448.461	HJAGTMTVNNJMRX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137028
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)[N+](OCC)(OCC)[O-]	SCHEMBL6875614	448.466	CUYBZPCUMNDMOQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137029
COCC(CONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)O	SCHEMBL6879565,PC-id_15411828	448.466	VAIRGXCOPVSFKZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137030
COCCCON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)O	SCHEMBL6879571	448.466	SXNFMEZBPUOSHP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137031
OCCOCCONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	SCHEMBL8160850,PC-id_54227003	448.466	QGNVXIZWAIZFDQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137032
OCCON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)OCC	SCHEMBL8160856	448.466	LYANAHZBDWULNR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137033
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C#N)C#N	PC-id_19102865,SCHEMBL9335308	448.473	YHIJLLAAVIVQRQ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-137034
O=C(c1sc2c(c1)CCCCCC2)NNS(=O)(=O)c1ccc(cc1)OC(F)(F)F	EMOLS-id_43897471,CoCoCo_3535390,MCULE-1174423385,PC-id_24421465	448.48	CYXHDTNPPKUQFI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137035
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(OC(F)(F)F)ccc1	PC-id_24662702	448.48	JFHFLLVTVYBYNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137036
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(OC(F)(F)F)cccc1	PC-id_31069216	448.48	GBYCAVGKOIJVAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137037
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)Nc2ccc(cc2)C(=O)N2CCCCC2)n1	TIMTEC501228,EMOLS-id_2518967,CoCoCo_571311,ZINC22_2885184,MCULE-3969325961,PC-id_2237602	448.481	VITOUKQNTYVXKM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137038
CCC(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86270340,SCHEMBL20696002	448.481	VESVXOGTSBQQPY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137039
CC(=O)N1CCCc2c(C1)c(nn2C)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86267926,SCHEMBL20695657	448.481	BYYXBSBYRAMXDN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137040
COC(=O)c1c(NC(=O)CSc2nnc(C(F)(F)F)n2C)sc2c1CCCCC2	MCULE-8621195374,EMOLS-id_24970848,ZINC22_21151825,PC-id_4444062,CoCoCo_3129656	448.483	PCQJNIAAZTXJJT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137041
Fc1ccc(cc1)Nc1nc2c(n1C)C=CCC(=C2)Oc1ccnc(c1)C(=O)OC(C)(C)C	PC-id_143028822	448.489	FMGFUDAEXYDMPK-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-137042
s1c2c(CCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])cc(OC)c(OCC)c1)C(=O)OC	PC-id_55762736	448.489	KFPMTZDIZQVTPG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137043
CC(C(C(=O)NC1Cc2cnoc2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730597,SCHEMBL21109752	448.493	YTRJJMUUDJVLKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137044
CC(C(C(=O)NC1Cc2ncoc2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109708,PC-id_138730553	448.493	DRTFQEQBTSMPQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137045
CC(C(C(=O)NC1Cc2ocnc2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730343,SCHEMBL21109497	448.493	POSAMVJBLHYLIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137046
CC(C(C(=O)NC1Cc2oncc2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109756,PC-id_138730601	448.493	QMHXTCROJHELAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137047
CC(C(C(=O)NC1CCc2ncoc2CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730354,SCHEMBL21109508	448.493	SGOQPZCSNWKXMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137048
CC(C(C(=O)NC1CCc2ocnc2CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730602,SCHEMBL21109757	448.493	HOZIAOQILSHTOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137049
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)N1CCN(CC1)c1ccccn1	MCULE-1583465863,EMOLS-id_32632822,PC-id_53007948	448.493	VGPQRVHKORZREO-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-137050
Fc1ccc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)Cn2c3c(nc2)cccc3)cc1	PC-id_55795905	448.493	DFVIFAZKQHTORE-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-137051
Cc1oc(n2cccc2)c(C#N)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_27562754,MCULE-7433600348,EMOLS-id_31335570,ZINC22_17187227	448.494	KDGUFCXMSJKMJR-UHFFFAOYSA-N	00000000111000000100100000000010000000000000000000000000	31-01-137052
CC(C(C(=O)NC1Cc2cnnn2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109428,PC-id_138730275	448.496	JNLCZVGXYIMHCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137053
CC(C(C(=O)NC1Cc2ncnn2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730338,SCHEMBL21109492	448.496	RNRWKSLNLAUXNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137054
CC(C(C(=O)NC1Cc2nncn2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109809,PC-id_138730654	448.496	OTYGLJTWWNUYBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137055
S(=O)(=O)(N1CCNC(=O)C1)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55762392	448.496	IPDAOWUTGXFATE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137056
C=CCn1c(=O)/c(=Cc2cccc(c2)[N+](=O)[O-])/s/c/1=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3610866,CoCoCo_3610868	448.498	NUICJXQOQWPXSI-NXNKHYCMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137057
C=CCn1c(=O)/c(=Cc2cccc(c2)[N+](=O)[O-])/s/c/1=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3610867	448.498	NUICJXQOQWPXSI-JWRHMULSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137058
C=CCn1c(=O)c(=Cc2cccc(c2)[N+](=O)[O-])sc1=C(c1nnc2n1CCCCC2)C#N	MCULE-7665308734,EMOLS-id_300543453,PC-id_3282211	448.498	NUICJXQOQWPXSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137059
C=CCn1c(=O)/c(=C/c2cccc([N+](=O)[O-])c2)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	PC-id_2312121,ZINC22_101350739,CoCoCo_3610865	448.498	NUICJXQOQWPXSI-NZMUFIEBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137060
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)/c/1=C/c1cc([N+](=O)[O-])ccc1)CC=C	PC-id_2312123	448.498	NUICJXQOQWPXSI-IMWYKSJCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137061
S(=O)(=O)(c1c2-c(cc(ccc2C)C(C)C)c(c1)C)N/N=Cc1ccc(cc1)C(F)(F)F	CHEMBL1837007	448.501	MODJDTUXVHYLAO-WKIKZPBSSA-N	00000010100000110110000000000010000000000000000000000000	31-01-137062
S(=O)(=O)(NN=Cc1ccc(cc1)C(F)(F)F)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_56672566	448.501	MODJDTUXVHYLAO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-137063
S(=O)(=O)(N/N=C/c1ccc(cc1)C(F)(F)F)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_71502471	448.501	MODJDTUXVHYLAO-UVHMKAGCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-137064
CCOC(=O)c1c(cc2-c1ccccc2OCC)C(C(=O)C)CC(=O)c1ccc(cc1)OC	PC-id_102293871	448.508	XYPQVDZFHBBUPP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-137065
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(CCn12)C(=O)c1ccc(cc1F)F	MCULE-4798472720,PC-id_45170407,ChEMBL-DNDi_CHEMBL11624290,EMOLS-id_20399968	448.509	LNIUSSZHIQRADO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137066
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)c1ccc(F)cc1F)CC2	CoCoCo_1131818,PC-id_42319066,ZINC22_11965569	448.509	LNIUSSZHIQRADO-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137067
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)c1ccc(F)cc1F)CC2	ZINC22_11965566,CoCoCo_1131817,PC-id_42319063	448.509	LNIUSSZHIQRADO-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137068
COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)sc2c1CCCCC2	MCULE-4637251632,ZINC22_9632697,EMOLS-id_3456945,CoCoCo_2959771,PC-id_3463925	448.513	MVXWVCPXAALLQK-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-137069
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1OC)OC)c2)Cc1cccc(C)c1	PC-id_53086398,EMOLS-id_32633228,MCULE-2650382682	448.514	QVOZGSRYHMGLSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137070
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(OC)c1OC)c2)Cc1ccc(cc1)C	EMOLS-id_16324676,PC-id_16028398,CoCoCo_2544555,MCULE-5320837803	448.514	XPLGECMBJQZLCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137071
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OC)c1)OC)c2)Cc1ccc(cc1)C	PC-id_20964734,EMOLS-id_16324672,CoCoCo_2544553,MCULE-5834852330	448.514	OZIADPBBABETLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137072
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OC)c1)OC)c2)Cc1cccc(C)c1	EMOLS-id_32633222,MCULE-5690612458,PC-id_53086395	448.514	KWHRQNGBIWLHDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137073
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(OC)c1OC)c2)Cc1cccc(C)c1	EMOLS-id_32633230,PC-id_53086399,MCULE-6584396174	448.514	FXQSGFVGGCZACP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137074
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OC)c1)OCC)c2)Cc1ccccc1	PC-id_50798106,MCULE-1784428367,EMOLS-id_32846056	448.514	TVEJWCJEKYOPII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137075
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OCC)c1)OC)c2)Cc1ccccc1	MCULE-4132646329,PC-id_50798101,EMOLS-id_32846052	448.514	BABGAQMUGYSIPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137076
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(OC)ccc1OC)c2)Cc1ccc(cc1)C	MCULE-9549403541,CoCoCo_2544556,EMOLS-id_16324678,PC-id_20964736	448.514	CWPFLADEHGQFJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137077
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(OC)ccc1OC)c2)Cc1cccc(C)c1	PC-id_53086400,MCULE-1694596765,EMOLS-id_32633232	448.514	BRNGSVGNQPIKTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137078
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(c(OC)c1)OC)c2)Cc1ccccc1	EMOLS-id_16324590,CoCoCo_2544488,PC-id_20964696,MCULE-1960884548	448.514	HJVWLOPOXMCVTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137079
CC(=O)NNC(=O)c1c(NC(=O)C=Cc2ccc(s2)[N+](=O)[O-])sc2c1CCCCC2	PC-id_92046530	448.516	QYKBKIWMRCVTFH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-137080
COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1[N+](=O)[O-]	PC-id_21234850,ZINC22_32125382	448.516	QNPNGIKPKJXECI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137081
s1c2c(CCCCC2)c(c1NC(=O)CSc1c([N+](=O)[O-])cc(cc1)C(=O)N)C(=O)N	PC-id_55334297	448.516	DDYPZOSWVXEVPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137082
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3ccc4c(OCO4)c3)CCn12	PC-id_45178024,MCULE-5504526979,EMOLS-id_20432861	448.518	CRXCOSTXDODVHR-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-137083
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	CoCoCo_1176456,ZINC22_12039028,CoCoCo_1176455	448.518	CRXCOSTXDODVHR-QFIPXVFZSA-N	00000010100000101101000000001010000000000000000000000000	31-01-137084
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	ZINC22_12039026,CoCoCo_1176454,CoCoCo_1176453	448.518	CRXCOSTXDODVHR-JOCHJYFZSA-N	00000010100000101101000000001010000000000000000000000000	31-01-137085
CC(CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1)Cc1ccc2OCOc2c1	EMOLS-id_20684409,PC-id_45236688,MCULE-4445263397	448.518	IODSDWGYCCBVMA-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-137086
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1	CoCoCo_1546528,ZINC22_20271148,CoCoCo_1546530	448.518	IODSDWGYCCBVMA-KRWDZBQOSA-N	00000010100000101101000000001010000000000000000000000000	31-01-137087
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1	ZINC22_20271146,CoCoCo_1546531,CoCoCo_1546529	448.518	IODSDWGYCCBVMA-QGZVFWFLSA-N	00000010100000101101000000001010000000000000000000000000	31-01-137088
COc1cccc(CC(=O)N2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1	ZINC22_11782747,CoCoCo_1219965,MCULE-8869296030,EMOLS-id_20464193,PC-id_42162730	448.518	JAJNVRSHPVXMSG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137089
COc1ccc(CC(=O)N2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1	PC-id_42383334,CoCoCo_1143759,EMOLS-id_20409046,MCULE-9133282646,ZINC22_12056974	448.518	LEEJWMCLTXJZEN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137090
COC(C(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1)c1ccccc1	EMOLS-id_20718911,PC-id_45245186,MCULE-4734943249	448.518	XXKXBBFCIDRLKT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137091
CO[C@@H](C(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1)c1ccccc1	CoCoCo_1599463,ZINC22_14995576,PC-id_26351161	448.518	XXKXBBFCIDRLKT-HSZRJFAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137092
CO[C@H](C(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1)c1ccccc1	ZINC22_14995578,PC-id_26351163,CoCoCo_1599464	448.518	XXKXBBFCIDRLKT-QHCPKHFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137093
O=c1n2CCCCCc2nn1CC(=O)NC(c1ccc(NC(=O)Nc2ccccc2)cc1)C	PC-id_55839327	448.518	PETWFCJDINJBCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137094
O=c1n2CCCCCc2nn1CC(=O)NCc1cc(NC(=O)Nc2cc(ccc2)C)ccc1	PC-id_55958054	448.518	ORTFNZQPSHGRNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137095
O=C1C(CCn2c(N1C)cc(n2)CCN1CCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL19641565	448.521	NONBRNILNMJKIU-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-137096
O=C1[C@H](CCn2c(N1C)cc(n2)CCN1CCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367395	448.521	NONBRNILNMJKIU-IBGZPJMESA-N	00001000100000110101000000000010000000000000000000000000	31-01-137097
O=C1[C@@H](CCn2c(N1C)cc(n2)CCN1CCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367396	448.521	NONBRNILNMJKIU-LJQANCHMSA-N	00001000100000110101000000000010000000000000000000000000	31-01-137098
CC(C)(C)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86267307	448.524	IBWCYROFUQIJSS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137099
CC(C)CN1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86270344,SCHEMBL20696129	448.524	PFVYGAUYJYMBLV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137100
CCNC(=NCc1nnc2n1CCCCC2)NCC1(CCC1)c1cccc(c1)C(F)(F)F	PC-id_111687454	448.528	QKSBVILVYLJQOL-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-137101
CN=C(NCC1(CCC1)c1cccc(c1)C(F)(F)F)NCCc1nnc2n1CCCCC2	PC-id_111687294	448.528	KLFNLHJHMFPFBO-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-137102
Cc1c2-c(ccccc2OCCCN2CCOCC2)c(c1)C=Cc1c(ccc(c1)F)NC=O	PC-id_89275594	448.529	NYBAMDAGCMCKMC-UHFFFAOYSA-N	00000010100010110111000000000010000000000000000000000000	31-01-137103
O=CNc1ccc(cc1/C=Cc1cc(c2-c1ccccc2OCCCN1CCOCC1)C)F	SCHEMBL14216136	448.529	NYBAMDAGCMCKMC-FPLPWBNLSA-N	00000010100010110111000000000010000000000000000000000000	31-01-137104
c1(c2CCCCCCc2[nH]n1)C(=O)N1CCOC(c2cccc(Cc3ccccc3F)n2)C1	BDF-25251639,EMOLS-id_262727,MCULE-8916596342	448.532	GQOCVFKSRNPJAN-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-137105
O=C(c1n[nH]c2c1CCCCCC2)N1CCO[C@H](c2cccc(Cc3ccccc3F)n2)C1	ZINC22_257233747	448.532	GQOCVFKSRNPJAN-DEOSSOPVSA-N	00000000100010111101100000000010000000000000000000000000	31-01-137106
O=C(c1n[nH]c2c1CCCCCC2)N1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1	ZINC22_257233748	448.532	GQOCVFKSRNPJAN-XMMPIXPASA-N	00000000100010111101100000000010000000000000000000000000	31-01-137107
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(O)C)C)C(=O)OC	PC-id_4855969	448.533	DQERABUHOAYUBR-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-137108
c12CCCCCc1c(C(=O)OCC)c(NC(=O)CCCn1c(C)c(N(=O)=O)c(C)n1)s2	ZINC22_12413858,PC-id_5304803,MCULE-3253277094,EMOLS-id_6832686	448.536	UHPUIOAUEBDLHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137109
CN(C)c1ccc(/C=C/CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1	EMOLS-id_68900854,PC-id_118756951,ZINC22_299786262	448.536	NDOZJPDXNJDRKV-SNAWJCMRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137110
n12CCN(CCc1nnc2CNC(=O)c1cccc(F)c1)CC=Cc1ccc(cc1)N(C)C	MCULE-8545298209	448.536	NDOZJPDXNJDRKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137111
O1c2c(cc(C[NH+]3CCn4c(nnc4CCNC(=O)c4ccc(OC)cc4)CC3)cc2)CC1	PC-id_42424327	448.537	GXZYGQLEHJHVJI-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-137112
O1c2cc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)CCc4ccccc4)C)CC3)ccc2OC1	PC-id_42235873	448.537	QPOFPGYRKAJJGI-GOSISDBHSA-O	00000010100000110101000000001010000000000000000000000000	31-01-137113
O1c2cc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)CCc4ccccc4)C)CC3)ccc2OC1	PC-id_42235876	448.537	QPOFPGYRKAJJGI-SFHVURJKSA-O	00000010100000110101000000001010000000000000000000000000	31-01-137114
O1c2cc(C[NH+]3CCn4c(nnc4C(NC(=O)CCc4ccccc4)C)CC3)ccc2OC1	PC-id_74784538	448.537	QPOFPGYRKAJJGI-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-137115
O=C(c1ccco1)NCCc1nnc2n1CC[N@H+](CC2)Cc1ccc(cc1)C#CC(O)(C)C	PC-id_42363865,GD-id_ZINC12030770	448.537	CFQPLRRNIVBDMV-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-137116
O=CN[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1NC(=O)NC)ccs2	PC-id_141828519	448.537	WYLCJKXGDMCVQR-HXUWFJFHSA-N	00000000100000110100100000000010000000000000000000000000	31-01-137117
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(n(nc1C)c1ccccc1)C)C#N	PC-id_4234547	448.537	RKRFTVCBPJZZJZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137118
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)c2cccnc2)ccc1	PC-id_46411427	448.537	WFILQZUKZVPDFS-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-137119
CN(Cc1nnc2n1CCCCC2)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	ZINC22_48261718,EMOLS-id_30661932,PC-id_47016565,MCULE-5779350869	448.539	TWEZUTFYDAHDCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137120
CONS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	ZINC22_40153376,EMOLS-id_30260587,MCULE-3635167565,PC-id_45913949	448.539	WXOXCDNZAFZEPV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137121
S(=O)(=O)(N1CCN(CC1)C)c1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55561532	448.539	UOKGLEWUPYFLGO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137122
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cnc(c4ccccc4)s3)CCn12	EMOLS-id_232783526,PC-id_45933028,MCULE-5947728947	448.541	OXPAAAUIWFDOHR-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-137123
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	ZINC22_12126698	448.541	OXPAAAUIWFDOHR-MRXNPFEDSA-N	00000000101000110101100000000010000000000000000000000000	31-01-137124
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	ZINC22_12126703	448.541	OXPAAAUIWFDOHR-INIZCTEOSA-N	00000000101000110101100000000010000000000000000000000000	31-01-137125
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)Cc1cnc(c2ccccc2)s1	ZINC22_14990563,CoCoCo_1378047,PC-id_26345328,CoCoCo_1378048,MCULE-5262937453,EMOLS-id_20573125	448.541	BCQGGWNYDRLYJM-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-137126
Cn1c2c(CCCCC2Cc2cc(ccc2)F)c(n1)C=CS(=O)(=O)NN1CCOCC1	PC-id_87074939,SCHEMBL176734	448.554	HGTKREXLNMMZBH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137127
Cn1c2c(CCCCC2Cc2ccc(cc2)F)c(n1)C=CS(=O)(=O)NN1CCOCC1	SCHEMBL176595,PC-id_87074931	448.554	VECBUKVYOLFMGZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137128
Fc1cccc(c1)CC1CCCCc2c1n(C)nc2/C=C/S(=O)(=O)NN1CCOCC1	PC-id_57814161,SCHEMBL176733	448.554	HGTKREXLNMMZBH-NTEUORMPSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137129
Fc1ccc(cc1)CC1CCCCc2c1n(C)nc2/C=C/S(=O)(=O)NN1CCOCC1	SCHEMBL176594,PC-id_58882581	448.554	VECBUKVYOLFMGZ-XNTDXEJSSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137130
s1c2c(CCCCC2)c(c1NC(=O)CSc1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_41320850	448.556	CCUOFFOZOMYTBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137131
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)c1cc(OC)cc(OC)c1)C(=O)OC	PC-id_24155551	448.556	CESSTIZTWAXBFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137132
s1c2CCCCCCc2cc1C(=O)OCC(=O)N1CCc2c1ccc(S(=O)(=O)N)c2	PC-id_27354881	448.556	IPHSPDRSLFUHHH-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-137133
s1c2c(CCCCCC2)c(c1NC(=O)CSc1ncccc1C(=O)O)C(=O)OCC	PC-id_4152454	448.556	SYPRTFJNQMEDBZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-137134
S1(=O)(=O)N(CCC1)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_52638637	448.556	HGHBQVLCHDXFKH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-137135
S1(=O)(=O)N(CCC1)c1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_52638628	448.556	SRNQQTPFWFNVQE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-137136
S(=O)(=O)(N1CCc2c1ccc(c2)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_55697921	448.556	YGWUCILETXUFLG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-137137
CC(C)c1ccc(cc1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CCOC	PC-id_134808647	448.557	GPLFQSIBOLTTOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137138
CC(C)CN(C(=O)COc1ccc(OCc2ccccc2)cc1)c1nnc2n1CCCCC2	CoCoCo_4262315,MCULE-9914608059,EMOLS-id_45736670,ZINC22_9387831,PC-id_17418720	448.557	PQAAQYWNMZDIHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137139
O1CCN(CCCN2CCCc3[nH]c(c(c3C2=O)C)C=C2c3c(NC2=O)cccc3C)CC1	PC-id_77953848	448.557	ZMLRUAOLRLERKN-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-137140
O1CCN(CCCN2CCCc3[nH]c(c(c3C2=O)C)/C=C/c3c(NC2=O)cccc3C)CC1	SCHEMBL13480221,PC-id_70917188	448.557	ZMLRUAOLRLERKN-MNDPQUGUSA-N	00000010100010100101000000001010000000000000000000000000	31-01-137141
O=c1n2CCCCCc2nn1CC(=O)N(C(Cc1c(OC)cccc1)C)Cc1ccccc1	PC-id_56342940	448.557	LTKIBEQBLJJJGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137142
O=C1N(CCN2CCCCC2)CCCc2[nH]c(c(c12)C)/C=C
/c2c(NC1=O)ccc(OC)c2	PC-id_25115148	448.557	HLXBOIIEEAQFGG-SILNSSARSA-N	00000010100010100100000000001010000000000000000000000000	31-01-137143
C=C/C=CC(=C/C)N(c1ccccc1)C1=CNc2oc(cc2C(C(=C1)C)(C)C)C=C(C#N)C#N	PC-id_145410996	448.559	JXBMBEDYEIVQPP-AYWXJBQKSA-N	00000000100000110110000000000010000000000000000000000000	31-01-137144
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc2n(c(=O)n(c2cc1)C)C	PC-id_56230410	448.559	ZBXKFSMWZRBUMC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-137145
S(=O)(=O)(N1CCNC(=O)C1)c1cc(C(=O)Nc2sc3CCCCCCc3n2)ccc1	PC-id_56020830	448.559	TZMTVFBCPVIOME-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137146
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc(cc3)OC)CCn12	MCULE-7944368598,EMOLS-id_20715889,PC-id_45244443	448.561	HYROXLPAZRQKBT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137147
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3cccc(OC)c3)CCn12	PC-id_45230577,EMOLS-id_20658705,MCULE-2093690555	448.561	HVIZWIBNFOQZGE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137148
CCN(CCNC(=O)CC1CCc2nn(Cc3cccnc3)c(=O)n2CC1)c1ccccc1	MCULE-5058143364,EMOLS-id_207877310	448.561	AWEUBTNOSZDHLT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137149
COc1ccc(cc1C)CN1CCc2n(CC1)c(nn2)C(C(C)C)NC(=O)c1ccccn1	ChEMBL-DNDi_CHEMBL27992198,PC-id_45193730	448.561	HXDMYDONGFAXEA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137150
COc1ccc(cc1C)CN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1272619,CoCoCo_1272618	448.561	HXDMYDONGFAXEA-HSZRJFAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137151
COc1ccc(cc1C)CN1CCc2n(CC1)c(nn2)[C@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1272620,CoCoCo_1272621	448.561	HXDMYDONGFAXEA-QHCPKHFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137152
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(cc3)N(C)C)CCn12	ChEMBL-DNDi_CHEMBL49606304,CoCoCo_1412370,PC-id_26359348,CoCoCo_1412369,ZINC22_15003617,MCULE-3834733606,EMOLS-id_20596101	448.561	XZQZYYIQBYVVDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137153
COc1ccc(CCC(C)N2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1	MCULE-7208821760,EMOLS-id_20636473,PC-id_45225266	448.561	FGAORUZLVMDWQM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137154
COc1ccc(CC[C@@H](C)N2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1	ZINC22_14976619,CoCoCo_1473268,CoCoCo_1473266	448.561	FGAORUZLVMDWQM-LJQANCHMSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137155
COc1ccc(CC[C@H](C)N2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1	ZINC22_14976622,CoCoCo_1473267,CoCoCo_1473265	448.561	FGAORUZLVMDWQM-IBGZPJMESA-N	00000000100000111101000000000010000000000000000000000000	31-01-137156
COc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1	CoCoCo_1507268,CoCoCo_1507269,ZINC22_12279520	448.561	HVIZWIBNFOQZGE-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137157
COc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1	ZINC22_12279521,CoCoCo_1507270,CoCoCo_1507271	448.561	HVIZWIBNFOQZGE-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137158
COc1cc(C)c(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1C	PC-id_29086807,CoCoCo_1265561,EMOLS-id_20496111,ZINC22_20599979,CoCoCo_1265560,MCULE-7646357501	448.561	VELXEMVVGMZOGT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137159
COc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)cc1	CoCoCo_1594834,ZINC22_14994118,CoCoCo_1594833	448.561	HYROXLPAZRQKBT-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137160
COc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)cc1	CoCoCo_1594835,ZINC22_14994120,CoCoCo_1594836	448.561	HYROXLPAZRQKBT-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137161
COc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(C)c1C	ChEMBL-DNDi_CHEMBL19228855,CoCoCo_1202477,ZINC22_14882161,CoCoCo_1202478,EMOLS-id_20451589,PC-id_26277934,MCULE-1386576213	448.561	PYMNXVMVBUCKAM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137162
O(c1c(CN2CCn3c(nnc3CC2)C(NC(=O)c2cccnc2)CC(C)C)cccc1)C	PC-id_56859375	448.561	JEOMLGUTJCINOU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137163
O=C(CSc1nnc2n1CCCCC2)Nc1cccc(S(=O)(=O)/N=C/2CCCN2)c1	CoCoCo_3082191,PC-id_16336629,CoCoCo_3082190,EMOLS-id_26050320,ZINC22_9619477	448.562	HMBGKTAGXGUFLZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-137164
c1(c(SCC(=O)Nc2c(C#N)c3c(CCCCC3)s2)nc(N)c(c1C1CC1)C#N)C#N	ZINC22_13577371,PC-id_19057978,MCULE-8240146210,EMOLS-id_50247947	448.564	XWDCBTWUPKQOKA-UHFFFAOYSA-N	00100000100000101100100000000010000000000000000000000000	31-01-137165
CCC(=O)c1ccc(cc1)Cc1c(C)n(c2=CCC=CC=c12)CC1CN(C1)CC1(F)COC1	PC-id_144880023	448.572	IWBQFAWLIWTCHY-UHFFFAOYSA-N	00001000100000110110000000000010000000000000000000000000	31-01-137166
S(=O)(=O)(OC1C(c2oc(CC(CCC#C1)C(=C)C)c(c2)C(=O)OC(C)(C)C)C(=C)C)C	PC-id_85172499	448.572	DCCAWADMDIYUFC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-137167
S(=O)(=O)(O[C@@H]1[C@@H](c2oc(C[C@@H](CCC#C1)C(=C)C)c(c2)C(=O)OC(C)(C)C)C(=C)C)C	PC-id_10527475	448.572	DCCAWADMDIYUFC-LZNRXBQRSA-N	00000000100000000110000000000010000000000000000000000000	31-01-137168
S(=O)(=O)(O[C@H]1[C@@H](c2oc(C[C@@H](CCC#C1)C(=C)C)c(c2)C(=O)OC(C)(C)C)C(=C)C)C	PC-id_10742115	448.572	DCCAWADMDIYUFC-JUXOCIIHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-137169
C[n+]1c(/C=C/c2scc3c2OCCOCCOCCOCCO3)sc2c1cccc2	PC-id_102138741	448.576	FLBBFIMENSDKNI-VOTSOKGWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-137170
c1(c2CCCCCc2sc1N=Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)OCC	PC-id_3754208,MCULE-9153656683	448.577	OSQAUPZYYKUQFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137171
COC(=O)c1ccc(cc1)CCNC(=O)c1cc2c(s1)CCN(CC2)Cc1ccccc1	SCHEMBL11168191,PC-id_13072079	448.577	URYIIXIHMQRRNK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137190
c1(c2CCCCCc2sc1NC(=O)c1ccccc1C)C(=O)Nc1ccccc1OCC	PC-id_2883937,TIMTEC36358,CK1473200,EMOLS-id_2123200,SPECS-id_AG-667/13587060,CoCoCo_734940,ZINC22_8445633,MCULE-2620488377	448.577	QYPFZFGKRFRCHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137172
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)Nc1ccccc1OCC	ZINC22_8843225,TIMTEC245443,CoCoCo_1731294,PC-id_5131180,MCULE-5277686747,EMOLS-id_2765629	448.577	JPQMVDYDCQQGCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137173
c1(c2CCCCCc2sc1NC(=O)c1cccc(C)c1)C(=O)Nc1ccccc1OCC	TIMTEC266087,EMOLS-id_2766080,PC-id_3737210,MCULE-6322723492,CoCoCo_1731305,ZINC22_9781506	448.577	KMKWNHBQBOJHRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137174
c1(c2CCCCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccc(cc1)OCC	CoCoCo_1731148,ZINC22_8445616,TIMTEC36318,PC-id_4090626,MCULE-4829145798,SPECS-id_AG-667/11912017,EMOLS-id_7664563,CHEMBL1522769	448.577	JKMFCZPZZSCFBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137175
c1(c2CCCCCc2sc1NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1OCC	ZINC22_2947263,MCULE-2454083728,EMOLS-id_2123600,TIMTEC584121,PC-id_2267128,CoCoCo_735881,CK1421661,ChEMBL-DNDi_CHEMBL6071583	448.577	YXIKOWFWEIKLDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137176
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1ccccc1C	CK1724200,TIMTEC36370,SPECS-id_AG-667/13796010,PC-id_2274091,ZINC22_2967396,EMOLS-id_2392712,ChEMBL-DNDi_CHEMBL6238467,CoCoCo_759297,MCULE-3070834017	448.577	LHUNLNRCZJUJIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137177
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)C	PC-id_3551883,CHEMBL1437452,MCULE-7299750153,EMOLS-id_8221337,SPECS-id_AG-667/13796008,CoCoCo_1731311,ZINC22_8445640,TIMTEC36368	448.577	PPCMTSSQGBWPLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137178
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1cccc(C)c1	CoCoCo_1731329,PC-id_3991433,CHEMBL1520027,ZINC22_8445641,MCULE-1935818622,EMOLS-id_8221339,SPECS-id_AG-667/13796009,TIMTEC36369	448.577	WPIIRNKFZGLQFD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137179
CCOc1c(ccc(c1)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1ccccc1)O	PC-id_137051379	448.577	KFXNCOWSICEZAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137180
CCOc1ccc(cc1)NC(=O)c1c(/N=Cc2ccc(cc2)OC)sc2c1CCCCC2	CoCoCo_6250528	448.577	OSQAUPZYYKUQFN-PKAZHMFMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137181
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1O	ZINC22_408970786	448.577	KFXNCOWSICEZAU-WPWMEQJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137182
CCOc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2ccc(OC)cc2)cc1	PC-id_9634396,CoCoCo_6250527,TIMTEC364750,EMOLS-id_46388741,ZINC22_15945619	448.577	OSQAUPZYYKUQFN-WPWMEQJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137183
COc1ccccc1CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCCC2	GD-id_ZINC20443844	448.577	LCAPYJCLUIIDKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137184
COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1OC	ZINC22_408969770	448.577	UFEQLCQOYMSVFL-WPWMEQJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137185
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408970150	448.577	BRJZFDWCBVPUOS-WPWMEQJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137186
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c(OC)c1	ZINC22_408969319	448.577	LQLOPQGEPFUQOX-WPWMEQJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137187
COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1	ZINC22_408969639	448.577	RJHJNQYASKYVBH-WPWMEQJKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137188
COC(=O)c1ccc(cc1)CCc1ccc(cc1)NC(=O)c1c(N)sc2c1CCCCC2	SCHEMBL15997433,PC-id_90377800	448.577	QTVQXKHRJFHSJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137189
COC(=O)c1c(NC(=O)CSc2nc([O-])c(c(n2)C)CC)sc2c1CCCCCC2	PC-id_44171462,GD-id_ZINC15022373	448.579	QNVWPOYPLNFURZ-UHFFFAOYSA-M	00000000100000100101000000000010000000000000000000000000	31-01-137191
s1c2CCCCCCc2cc1C(=O)N(c1c(n(CC(C)C)c(=O)[nH]c1=O)N)CCOC	PC-id_52430054	448.579	RNQNADFUPWWOLZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-137192
s1c2CCCCCCc2cc1C(=O)N(c1c(n(CCCC)c(=O)[nH]c1=O)N)CCOC	PC-id_55338130	448.579	FDZWSYPJIWRRSO-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-137193
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)SC)c2)Cc1ccc(cc1)C	EMOLS-id_32846166,PC-id_16028419,MCULE-8620423173	448.58	VMYNNNBDUHWHDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137194
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)SC)c2)Cc1cccc(C)c1	PC-id_53086404,MCULE-8580766892,EMOLS-id_32633246	448.58	GUMBPRUJNQBBQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137195
CC(Cc1ccc(cc1)C[N@@H+]1CCc2n(CC1)c(nn2)CNC(=O)COc1ccccc1)C	GD-id_ZINC11999817	448.58	UONFWKJEQRXYKB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137196
CC(C(=O)NCCc1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)OCc1ccccc1)C	PC-id_42190631,GD-id_ZINC11814168	448.58	MCTMZCUWRYAYOB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137197
C[C@H](N)C(=O)Nc1nc2c(s1)CCCCC2C(=O)NC(c1ccccc1)c1ccccc1	PC-id_45487854,CHEMBL566251	448.58	WKXXKYIQGBPWCP-UCFFOFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-137198
COc1ccc(cc1)CCC(=O)Nc1nc2c(s1)CCN(CC2)C/C=C/c1ccccn1	SCHEMBL7291881,PC-id_19985929	448.58	ICKOQZJWNGJIGG-GQCTYLIASA-N	00000000100000111101000000000010000000000000000000000000	31-01-137199
COc1ccc(cc1)CCC(=O)Nc1nc2c(s1)CCN(CC2)C/C=C/c1cccnc1	PC-id_19985727,SCHEMBL7286355	448.58	IHWXOGTXWKVAKY-HWKANZROSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137200
COCCC(=O)N[C@@H](c1nnc2n1CC[N@H+](CC2)CC(c1ccccc1)c1ccccc1)C	GD-id_ZINC14981184,PC-id_26336822	448.58	RYFCYEXBTLYEGU-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137201
O(c1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(cc3)C)CC2)cc1)C(C)C	PC-id_26353510	448.58	PLHUXLAKZYEFJF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137202
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CC)C(C)C)CC2)ccc1)c1ccccc1	PC-id_42449376	448.58	CEIUOCYOFCNLKQ-VWLOTQADSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137203
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CC)C(C)C)CC2)ccc1)c1ccccc1	PC-id_42449378	448.58	CEIUOCYOFCNLKQ-RUZDIDTESA-O	00000000100000110101000000000010000000000000000000000000	31-01-137204
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CC)C(C)C)CC2)ccc1)c1ccccc1	PC-id_74804072	448.58	CEIUOCYOFCNLKQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137205
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C(C)C)COC	PC-id_74805353	448.58	KNAQVVTZRTZOGK-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-137206
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)C)COc1ccccc1	PC-id_74787030	448.58	GWWZMTOVRYNYHY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137207
O=C(NC(c1n2CC[NH+](CCc2nn1)CC(c1ccccc1)c1ccccc1)C)CCOC	PC-id_74497958	448.58	RYFCYEXBTLYEGU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137208
O=C(NC(c1n2CC[NH+](CCc2nn1)CC(=Cc1ccccc1)C)CC(C)C)c1occc1	PC-id_74800402	448.58	OXKAHCNZPABTOH-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-137209
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)c1ccc(OC)cc1	PC-id_42367088	448.58	UNEGDNKOAICFCG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137210
O=C(NCCc1n2CC[NH+](CCc2nn1)CCC(c1ccccc1)C)c1ccc(OC)cc1	PC-id_74495625	448.58	JOUUTJAPTLROPK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137211
O=C(NCCc1n2CC[NH+](CCc2nn1)CC[C@H](c1ccccc1)C)c1ccc(OC)cc1	PC-id_26317085	448.58	JOUUTJAPTLROPK-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137212
O=C(NCCc1n2CC[NH+](CCc2nn1)CC[C@@H](c1ccccc1)C)c1ccc(OC)cc1	PC-id_26317088	448.58	JOUUTJAPTLROPK-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137213
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C(C)C)COC	PC-id_42460660	448.58	KNAQVVTZRTZOGK-VWLOTQADSA-O	00000000100000110101100000000010000000000000000000000000	31-01-137214
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C(C)C)COC	PC-id_42460666	448.58	KNAQVVTZRTZOGK-RUZDIDTESA-O	00000000100000110101100000000010000000000000000000000000	31-01-137215
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)C)COc1ccccc1	PC-id_42274914,GD-id_ZINC11910691	448.58	GWWZMTOVRYNYHY-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137216
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)C)COc1ccccc1	PC-id_42274915	448.58	GWWZMTOVRYNYHY-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137217
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)CC(c1ccccc1)c1ccccc1)C)CCOC	PC-id_26336818	448.58	RYFCYEXBTLYEGU-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137218
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C(=C/c1ccccc1)/C)CC(C)C)c1occc1	PC-id_42372970	448.58	OXKAHCNZPABTOH-YMQJMOIJSA-O	00000000101000110101000000000010000000000000000000000000	31-01-137219
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C(=C/c1ccccc1)/C)CC(C)C)c1occc1	PC-id_42372974	448.58	OXKAHCNZPABTOH-YDPLAMGBSA-O	00000000101000110101000000000010000000000000000000000000	31-01-137220
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(cccc1)C=C(C#N)C#N	PC-id_30377258	448.58	LPKFQXXKZQABDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137221
s1c2CCN(CCc2nc1NC(=O)CCc1ccc(OC)cc1)CC=Cc1cccnc1	PC-id_53917232	448.58	IHWXOGTXWKVAKY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137222
s1c2CCN(CCc2nc1NC(=O)CCc1ccc(OC)cc1)CC=Cc1ncccc1	PC-id_53908976	448.58	ICKOQZJWNGJIGG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137223
s1c2c(nc1NC(=O)C(N)C)C(CCCC2)C(=O)NC(c1ccccc1)c1ccccc1	PC-id_75116995	448.58	WKXXKYIQGBPWCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137224
Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_323466307,MCULE-6554129294	448.582	DPDBNQWHLNSTGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137225
CCC(c1nnc2n1CCCCC2)NC(=O)Nc1ccc(cc1)S(=O)(=O)N(C(C)C)C	EMOLS-id_43405123,PC-id_72104352,MCULE-5341813219	448.582	OERQIBCISFXGNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137226
CC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1nnc2n1CCCCC2	PC-id_96529190,ZINC22_79019508	448.582	OERQIBCISFXGNE-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137227
CC[C@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1nnc2n1CCCCC2	ZINC22_79019504,PC-id_96529189	448.582	OERQIBCISFXGNE-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137228
O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1nc2CCCCCc2s1	EMOLS-id_323481669,MCULE-9816480534	448.582	DWESQQBPDHLHLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137229
s1c2c(CCCCC2)c(c1NC(=O)CSc1nc([nH]n1)c1sccc1)C(=O)OC	PC-id_3905537	448.582	AAODZMYVOJVLSO-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-137230
s1c2CCCCCc2c(c1NC(=O)CCN(C(c1ccc(n2ncnc2)cc1)C)C)C#N	PC-id_46823104	448.584	JLYDGNQWEPNGRO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137231
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCC2	PC-id_28748683,GD-id_ZINC20220621	448.595	DAPUUHYIPNHVQJ-DLBZAZTESA-M	00000000100010000100000000000010000000000000000000000000	31-01-137232
O=Cc1c2-c(c(c1)/C=C/c1c3-c(cc(C(C)C)ccc3C)c(c1)C=O)c(ccc(C(C)C)c2)C	PC-id_59760287,SCHEMBL12743811	448.595	PMAWPXSPPRJBFE-VAWYXSNFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137233
O=Cc1c2-c(c(c1)C=Cc1c3-c(cc(C(C)C)ccc3C)c(c1)C=O)c(ccc(C(C)C)c2)C	PC-id_72554586	448.595	PMAWPXSPPRJBFE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137234
s1c2c(CCCCCCCCCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)OC	PC-id_74568608	448.595	DAPUUHYIPNHVQJ-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-137235
s1c2c(CCCCCCCCCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_28748681	448.595	DAPUUHYIPNHVQJ-IAGOWNOFSA-M	00000000100010000100000000000010000000000000000000000000	31-01-137236
s1c2c(CCCCCCCCCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_40436292	448.595	DAPUUHYIPNHVQJ-IRXDYDNUSA-M	00000000100010000100000000000010000000000000000000000000	31-01-137237
s1c2c(CCCCCCCCCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OC	PC-id_40436294	448.595	DAPUUHYIPNHVQJ-SJORKVTESA-M	00000000100010000100000000000010000000000000000000000000	31-01-137238
c1(NC(=S)Nc2ccc(cc2OC)OC)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC210478,EMOLS-id_4135292,ZINC22_5948046,MCULE-4072062479,PC-id_3301610,CoCoCo_6800631	448.599	ICUDUZUOVMFVLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137239
CC1c2nc(cs2)C=CC=CC(=O)CC=C(CCC(CC(=O)N1)(C(C)C(=O)O)S)C	PC-id_91799707	448.599	JPGNVTPOQRXCDY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-137240
CC1CCC(CC(=O)NC(c2nc(cs2)C=CC=CC(=O)C=C1)C)(C(C)C(=O)O)S	PC-id_90726622	448.599	KBRZKWBCZQUJSZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-137241
C/C/1=CCC(=O)/C=C/C=Cc2csc([C@H](NC(=O)C[C@@](CC1)(S)C(C(=O)O)C)C)n2	SCHEMBL14255048	448.599	JPGNVTPOQRXCDY-KIIWYTSZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-137242
CCOc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1S(=O)(=O)N1CCCC1	EMOLS-id_11736123,CoCoCo_3297801,MCULE-2132171406,ZINC22_9461708,PC-id_16309476	448.599	ZCXKYAWGBDLQMS-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-137243
COc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1S(=O)(=O)N1CCCCC1	CoCoCo_3280007,EMOLS-id_11736121,MCULE-9039014736,PC-id_16309474,ZINC22_13112825	448.599	OFYIWZMKILZJTL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-137244
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc2c(s1)CCCCC2	ZINC22_12631613,CoCoCo_3247273,EMOLS-id_3357272,MCULE-2479874701,PC-id_4881317	448.599	FAZGNXYTBAQJBY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-137245
O=C(c1cc2c(s1)CCCCC2)NCc1ccccc1CS(=O)(=O)N1CCOCC1	PC-id_27702536,CoCoCo_4357745	448.599	OPOHTRFFUKWBQW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137246
Brc1sc(Br)cc1C(NCC)c1sc2c(CCCCC2)c1	PC-id_43493164	449.267	UJVATIHSQJKIMO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-137360
O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cc2c(s1)CCCCCC2	EMOLS-id_17220522,CoCoCo_4449424,PC-id_24250120,MCULE-3118590525,ZINC22_24925419	448.599	USYMCVXDEZDIJZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137247
s1c2c(CCCCC2)c(c1NC(=S)NC(c1cc(OC)c(OC)cc1)C)C(=O)OC	PC-id_19675700	448.599	XHIOJGDYXVQMIU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137248
s1c2c(CCCCC2)c(c1NC(=S)NCc1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_19680197	448.599	XYSUKIOVFPBCIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137249
s1c2c(CCCCC2)c(c1NC(=S)NC(c1c(OC)ccc(OC)c1)C)C(=O)OC	PC-id_20172484	448.599	ZNIOPMFMPOUGBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137250
s1c2c(CCCCC2)c(c1NC(=S)NCCc1cc(OC)c(OC)cc1)C(=O)OC	PC-id_19649964	448.599	MMJWAXNEGPFZAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137251
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OC)cc(OC)c1)C(=O)OCC	PC-id_20411431	448.599	QWLZGKCNNFTVQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137252
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_19677424	448.599	ARKBEBYIJVFPJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137253
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC)ccc(OC)c1)C(=O)OCC	PC-id_20411331	448.599	UERMMZVVWYOHEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137254
s1c2c(CCCCCC2)c(c1NC(=S)NCc1cc(OC)c(OC)cc1)C(=O)OC	PC-id_19680190	448.599	LIFZMSLMDSZTTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137255
S[C@]1(C(C)C(=O)O)CC/C(=C/CC(=O)/C=C/C=Cc2nc(sc2)[C@H](NC(=O)C1)C)/C	PC-id_11190110	448.599	JPGNVTPOQRXCDY-PWXZMIDKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-137256
SC1(C(C)C(=O)O)CCC(=O)NC(C)c2scc(n2)C=CC=CC(=O)CC=C(C1)C	PC-id_72999796	448.599	QYAVXPAOSLMDCF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-137257
S[C@]1(C(C)C(=O)O)CCC(=O)N[C@H](C)c2scc(n2)C=CC=CC(=O)C/C=C(/C1)C	PC-id_11539646	448.599	QYAVXPAOSLMDCF-VXZFDRLESA-N	00000000100000000111000000000010000000000000000000000000	31-01-137258
S(=O)(=O)(N1CCC(NC(=O)c2sc3c(CCCCC3)c2)CC1)c1ccc(OC)cc1	PC-id_24611925	448.599	RRPYHSJYQGHPGZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-137259
S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)c2sc3CCCCCCc3c2)c(cc1)C	PC-id_60373851	448.599	BGAPVZKPZBFXOU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137260
CCCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1c(C)ccc2)CCC	SCHEMBL13449378,PC-id_70905780	448.6	DTSIGYSYEWQTGB-JZJYNLBNSA-N	00000010100000100100000000001010000000000000000000000000	31-01-137261
CN/C=CC=C/CC(N1CCCc2c(C1=O)ccn2CCN1CCOCC1)c1ccccc1	PC-id_142080552	448.6	ACKAMNZOOZUINM-LGNNCPJNSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137262
O=C1N(CCCc2[nH]c(c(c12)C)C=C1c2c(NC1=O)cccc2C)CCN(CCC)CCC	PC-id_77950523	448.6	DTSIGYSYEWQTGB-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-137263
c1(NC(=O)CSc2nnc(C3CC3)n2CCC)sc2c(CCCCC2)c1C(=O)OC	PC-id_17378073,MCULE-7775075040,EMOLS-id_4135308,ZINC22_19648038,CoCoCo_6824002,TIMTEC41100	448.602	AIQZPWCIFGBHNJ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-137264
c1(NC(=O)CSCc2nnc3CCCCCn23)sc2c(CCCC2)c1C(=O)OCC	ZINC22_27028008,PC-id_34319339,MCULE-2253504166,CoCoCo_6131767,EMOLS-id_15776895	448.602	LVHPGJGSRSNPHD-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-137265
CNC([C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)/C=C/CN1CCOCC1)O	PC-id_70792998,SCHEMBL12883000	448.602	AMEAVMSPQXPZMK-IGSBKIJKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137266
CNC(=O)C(C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCCN1CCOCC1	SCHEMBL1175805,PC-id_66932341	448.602	YPIBQLSNHMDZBK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137267
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)CCCN1CCOCC1	PC-id_57635202,SCHEMBL1175802	448.602	YPIBQLSNHMDZBK-HXUWFJFHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137268
O=C(c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)Nc1nc2c(s1)CCCCC2	PC-id_112807866	448.602	BXYSEUWPGLVQSF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-137269
OC(NC)C(NC(=O)c1nc(n2c1CN(CCC2)C)C=CCN1CCOCC1)C(C)(C)C	PC-id_77921975	448.602	AMEAVMSPQXPZMK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137270
s1c2c(CCCC2)c(c1NC(=O)C(Sc1n2CCCCCc2nn1)C)C(=O)OCC	PC-id_42983432	448.602	LFWLAUROZDJWOE-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-137271
s1c2CC(CCc2c(c1NC(=O)CSc1n2CCCCCc2nn1)C(=O)OCC)C	PC-id_42983184	448.602	HWGNFKFLMVALSF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-137272
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)CC)C(=O)OCC	PC-id_19726847	448.602	RLKDXNVARYLEKG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-137273
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)C)C(=O)OC	PC-id_20125240	448.602	DFSZEZHXEIMNLN-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-137274
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)CC=C)C(=O)OC	PC-id_19717188	448.602	UHSXADCUZSJLNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137275
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC)CC=C)C(=O)OCC	PC-id_19716662	448.602	ONMKMPGEXMKEGT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137276
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC)CC=C)C(=O)OC	PC-id_19716581	448.602	ANEPACPHGGFRJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137277
S(c1n(c(nn1)C1CC1)C(C)C)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_19727152	448.602	UHYLJTCGJMFXPB-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-137278
S(c1n(c(nn1)C1CC1)CC)CC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_19726803	448.602	RQOGOZOQVLMSCJ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-137279
c1(c(CCc2ccccc2)sc(n2cccc2)n1)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-5529974701,EMOLS-id_323446938	448.604	NUJXELHNDCVLCP-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-137280
N#Cc1ccc(cc1)CN1CC[NH+](CC1)[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)C	PC-id_51625611,GD-id_ZINC22928765	448.604	RCUDDVXUFUJLTK-GOSISDBHSA-O	00000000100010110101000000000010000000000000000000000000	31-01-137281
N#Cc1c(NC(=O)[C@@H]([N@@H+](Cc2cnn(c2)Cc2ccccc2)C)C)sc2c1CCCCC2	GD-id_ZINC09728224,PC-id_41189154	448.604	HUNPQKXSUHRVPL-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137282
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)Cc1ccc(cc1)C#N)C)C#N	PC-id_51625614	448.604	RCUDDVXUFUJLTK-SFHVURJKSA-O	00000000100010110101000000000010000000000000000000000000	31-01-137283
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+](Cc1cn(nc1)Cc1ccccc1)C)C)C#N	PC-id_41189157	448.604	HUNPQKXSUHRVPL-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137284
s1c2c(CCCCC2)c(c1NC(=O)C(N1CC[NH+](CC1)Cc1ccc(cc1)C#N)C)C#N	PC-id_75743102	448.604	RCUDDVXUFUJLTK-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-137285
s1c2c(CCCCC2)c(c1NC(=O)C([NH+](Cc1cn(nc1)Cc1ccccc1)C)C)C#N	PC-id_74751760	448.604	HUNPQKXSUHRVPL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137286
s1c2CCCCCCc2c(c1NC(=O)CSc1nc(c2ccccc2)cc(n1)C)C#N	PC-id_4292803	448.604	VXMNVZXOXDIVKM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137287
c1(csc(SC)n1)C(=O)N1CCn2c(CC1)nnc2CCNC(=O)C1CCCCC1	ZINC22_15070894,PC-id_26402101,EMOLS-id_232814106,MCULE-7020639373	448.605	TYALEAIILJOJGR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137288
CCCn1c(CSc2nnc3n2CCCCC3)nc2c1ccc(c2)S(=O)(=O)N(C)C	MCULE-1845145989,PC-id_24454087,EMOLS-id_257867085	448.605	WSUJBYDFMPEKFD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-137289
COCCNC(=O)CN1CCN(CC1)C(=NCCCc1nnc2n1CCCCC2)NCC	PC-id_111412134	448.605	YWSLJGQJCJWYGF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137290
CCNC(=NCc1ccccc1n1nc(cc1C)C)NCCCc1nnc2n1CCCCC2	PC-id_109796190	448.607	FLDNQEQAKDLKAU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137291
CCc1ccc(cc1)/C(=C/C/C=C/c1c[nH]c2c1C=CC=CC2)/C=C(/c1ccc(cc1)CC)[OH2+]	PC-id_145341580	448.618	CBDWGRAFRHRFKV-IMNNZGPZSA-O	00000000100000110110000000000010000000000000000000000000	31-01-137292
CCC(c1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_143646132	448.62	VVRQXUPGUHRHAW-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-137293
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1c(C2SCCS2)cccc1	PC-id_24554088	448.622	OONFHRDFFMSXMX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-137294
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(CC(C)C)C(=O)NC1=O)N)CCCC	PC-id_75845594	448.622	IYHFNGXZTKXPGM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137295
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CCCC	PC-id_76858784	448.622	SBJSWUCTINYTCK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137296
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CC(C)C	PC-id_76859023	448.622	JPVYFWPOWCOEQN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137297
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(CC(C)C)C(=O)NC1=O)N)CC(C)C	PC-id_76859358	448.622	VZISHANWHAXGEC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137298
N#Cc1c(NC(=O)CCN2CCN(CC2)C/C=Cc2ccccc2)sc2c1CCCCC2	CoCoCo_3571266,CoCoCo_3571268	448.623	UDXMAIKJIOAUAU-YFHOEESVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137299
N#Cc1c(NC(=O)CCN2CCN(CC2)CC=Cc2ccccc2)sc2c1CCCCC2	EMOLS-id_26140342,PC-id_4851273,MCULE-6530270552	448.623	UDXMAIKJIOAUAU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137300
N#Cc1c(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)sc2c1CCCCC2	ZINC22_22787686,PC-id_6219061,CoCoCo_3571267,CoCoCo_3571269	448.623	UDXMAIKJIOAUAU-JXMROGBWSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137301
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)C/C=C/c1ccccc1)C)C#N	PC-id_24506629	448.623	VVXBOAXIGNLNFN-DHZHZOJOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137302
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)CC=Cc1ccccc1)C)C#N	PC-id_74288881	448.623	VVXBOAXIGNLNFN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137303
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)C/C=C/c1ccccc1)C#N	PC-id_22199791	448.623	BVZJYGNKURAGDA-DHZHZOJOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137304
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)CC=Cc1ccccc1)C#N	PC-id_73875720	448.623	BVZJYGNKURAGDA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137305
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)N(CC)CC)CCn12	EMOLS-id_20735543,PC-id_45249295,MCULE-8606808404	448.625	LTAZHSIFGCKMMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137306
Cc1sc2nc(CS[C@@H](C)C(=O)Nc3nc4c(s3)CCCCC4)[nH]c(=O)c2c1C	PC-id_52293262,ZINC22_48310618	448.625	PWQMKFCAJKGHCZ-LBPRGKRZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-137307
Cc1sc2nc(CS[C@H](C)C(=O)Nc3nc4c(s3)CCCCC4)[nH]c(=O)c2c1C	ZINC22_48310620,PC-id_52293263	448.625	PWQMKFCAJKGHCZ-GFCCVEGCSA-N	00000000100000100101000001000010000000000000000000000000	31-01-137308
CCN(CC)c1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	CoCoCo_1625074,CoCoCo_1625073,ZINC22_15006865	448.625	LTAZHSIFGCKMMG-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137309
CCN(CC)c1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1	CoCoCo_1625076,CoCoCo_1625075,ZINC22_15006863	448.625	LTAZHSIFGCKMMG-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137310
O=C(C(SCc1nc2sc(c(c2c(=O)[nH]1)C)C)C)Nc1nc2c(s1)CCCCC2	PC-id_47018014,MCULE-7863271440,EMOLS-id_30700820	448.625	PWQMKFCAJKGHCZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-137311
s1c2CCCCCc2nc1NC(=O)C(SCC1=NC(=O)C2C(=C(SC2=N1)C)C)C	PC-id_75264022	448.625	HJGMLEAPWFANFK-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-137312
COc1cc(CCN(CCCCN2CCSc3c(C2=O)cc(s3)C)C)ccc1OC	PC-id_19881057,SCHEMBL9039206	448.642	ARETVYULOCLQFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137313
O=C(c1sc2c(c1)CCCCCCCCCC2)Nc1ccc(cc1)S(=O)(=O)N(C)C	GD-id_ZINC20340558	448.642	JNYAVMMYHMLWSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137314
Brc1c(C(Cl)c2sc3c(CCCCC3)c2)cc(Br)c(c1)C	PC-id_81472948	448.643	ITWIPDPOLCFYEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137315
CCCC(C1=CC=CCC=C1)CC(=O)N1CCC(CC1)Cn1c(C)nc2=CCNCCC=c12	PC-id_141843725	448.643	UTNJWKVJZNUACP-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-137316
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N(C)Cc1c(C)nn(C)c1C	ChEMBL-DNDi_CHEMBL7813428,CoCoCo_997919,MCULE-7964580424,TIMTEC601007,ZINC22_2856158,EMOLS-id_2003725,PC-id_2209465	448.645	ZQGVHWFHQLPKBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137317
s1c2c(CCCCC2)c(c1NC(=S)NC(C(C)(C)C)Cn1nccc1)C(=O)OCC	PC-id_20170890	448.645	DQCYRSQTSZZZJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137318
s1c2c(CCCCCC2)c(c1NC(=S)N(Cc1c(nn(c1)CC)C)C)C(=O)OCC	PC-id_20167161	448.645	AAQIRNGYRUUXBT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137319
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(nn(c1)CC)C)C)C(=O)OCC	PC-id_20177152	448.645	ICDUMOMJMLFQSK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137320
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(n(nc1)CC)C)C)C(=O)OCC	PC-id_20177212	448.645	BIIYNEPYRXQHSG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137321
s1c2c(CCCCCC2)c(c1NC(=S)NCc1c(n(nc1C)CC)C)C(=O)OCC	PC-id_20178058	448.645	VENPKCMEXKQGPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137322
s1c2c(CCCCCC2)c(c1NC(=S)NC(C(C)(C)C)Cn1nccc1)C(=O)OC	PC-id_20170883	448.645	UTBFXOTWFWNXPD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137323
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1nc(cc1C)C)C(=O)OCC	PC-id_20174631	448.645	PGSFEKUUQGTLAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137324
CC(c1cccc(n1)CC(c1c[nH]cn1)(C)C)(CC1CNCc2n(C1)nc(c2)C(C)(C)C)C	SCHEMBL19557862	448.647	GVCWQGDOMIKLKI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-137325
CC(c1sc(c2c1OCC(CO2)(Cc1ccccc1)Cc1ccccc1)C(C)(C)C)(C)C	SCHEMBL13074717,PC-id_70833148	448.66	UTSFMYMTRMODGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137326
CCC1=Cc2c(C=CC1)sc(n2)C(=C(C)C(C)CC)C(=NC(C)NCc1ccccc1)N	PC-id_90959318	448.667	HORLDMUPZRLMOK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-137327
Brc1c(ccc(c1Cl)OC1CCNCc2c1cco2)OCc1ccccc1	PC-id_68028613,SCHEMBL10078716	448.737	YABVSZHFHUOAOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137328
OC(=O)c1c(scc1c1ccc(c(c1)F)Cl)NC(=O)c1oc2=CCC=CC(=c2n1)F	PC-id_143954477	448.827	KOSBCQVFXZCADX-UHFFFAOYSA-N	00000000100100110111100000000010000000000000000000000000	31-01-137329
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)Cl)O	SCHEMBL9335549,PC-id_19102864	448.898	QWFRUHLTQOJWNZ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-137330
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)O)Cl	PC-id_19102855,SCHEMBL9339355	448.898	YPKIDAWRZNQVMF-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-137331
Clc1cc2n(Cc3c(c(ccc3)c3ccccc3)C(=O)O)c(nc2cc(=O)c1O)CCC	PC-id_19822334	448.898	SHRPWOXDFMWAEC-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-137332
Clc1c(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)c(F)ccc1	PC-id_42367033	448.898	LZRRHHSSNDGPQB-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-137333
Clc1cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc(OC)c1OC	PC-id_41228719	448.92	CWWRUCZHAQFBQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137334
Clc1cn(nc1)Cc1c(noc1C)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_19442003	448.923	VJEUBMVIRCFION-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137335
Clc1c2-c(c(/N=N/c3ccc(C(O)(c4ccccc4)c4ccccc4)cc3)c1)ccccc2	PC-id_11797736	448.943	ZHJXFRRTKVPQAA-QNEJGDQOSA-N	00000010100000110110000000000010000000000000000000000000	31-01-137336
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3c(cccc3F)Cl)CCn12	ChEMBL-DNDi_CHEMBL22365437,PC-id_45186774,EMOLS-id_20470519,MCULE-8739675717	448.965	VLRRUWPEHSIUNS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137337
C[C@@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2	CoCoCo_1229214,PC-id_28954179,ZINC22_11813626,CoCoCo_1229215,CoCoCo_1229213,CoCoCo_1229212	448.965	VLRRUWPEHSIUNS-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137338
C[C@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2	CoCoCo_1229219,CoCoCo_1229218,ZINC22_11813628,CoCoCo_1229216,PC-id_28954181,CoCoCo_1229217	448.965	VLRRUWPEHSIUNS-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137339
Clc1cc2[nH]c(nc2cc1)[C@@H](NC(=O)c1sc2c(C(OC)CN(CC2)C)c1)COC	PC-id_25118288,SCHEMBL4749358	448.966	MEQWZYANHISFBH-BHWOMJMDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-137340
Clc1cc2[nH]c(nc2cc1)[C@@H](NC(=O)c1sc2C(OC)CN(CCc2c1)C)COC	PC-id_25117938	448.966	AWJJQBIHEQEUJD-BHWOMJMDSA-N	00000000100000100101000001000010000000000000000000000000	31-01-137341
Clc1n(nc(c1C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N)C)CC(C)C	PC-id_24370545	448.966	KSGDWLJEMRTCMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137342
Cc1cc(ccc1)NC(=O)C(=O)c1c(n(c2c1CCCCCC2)Cc1ccc(cc1)Cl)C	SCHEMBL14900669,PC-id_89530162	448.984	MTDBKZNHOGDSOM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137343
c1(C(=O)N2CCC(CC2)c2ccc(cn2)Cc2cccc(Cl)c2)c2CCCCCc2n[nH]1	MCULE-3785756756,BDE-25664951,EMOLS-id_171584747,PC-id_110093399,ZINC22_257279538	448.988	OHCKBMVCXGVYSJ-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-137344
c1(C(=O)N2CCN(CC2)C(c2ccccc2)c2ccc(cc2)Cl)c2CCCCCc2[nH]n1	EMOLS-id_323248569,MCULE-8892412578	448.988	RGJWXTARCOAGKX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137345
c1(NC(=O)COc2ccccc2Cl)sc2c(CCCCCCCCCC2)c1C(=O)N	ZINC22_2761810,PC-id_4602487,EMOLS-id_4135518,SPECS-id_AK-968/15602057,CoCoCo_5830081,MCULE-6483264474,TIMTEC380599	449.006	PKGQWSMOSSEWRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137346
CCNC(=NCC(c1ccc(cc1Cl)F)(C)C)NCCCc1nnc2n1CCCCC2	PC-id_111569203	449.008	ZJOKMZCQRFALEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137347
Clc1cc(CC2CCCCc3c2[nH]nc3C=CS(=O)(=O)NN2CCCCC2)ccc1	PC-id_72358524	449.009	WYYCOPWLUJBKNA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137348
Clc1cc(CC2CCCCc3c2[nH]nc3/C=C/S(=O)(=O)NN2CCCCC2)ccc1	SCHEMBL4912141,PC-id_59687157	449.009	WYYCOPWLUJBKNA-SDNWHVSQSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137349
Clc1cccc(c1)CC1CCCCc2c1[nH]nc2C(=C)S(=O)(=O)NN1CCCCC1	PC-id_142701886	449.009	SIKUZZCNYKRAOT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137350
CC(C)C(C(=O)CC1CC2=CN=C(S2)CNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_146958836	449.108	AKEIOVVLZDEBAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137351
CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)NOC(C)(C)[PH+]=O	PC-id_154232611	449.147	MGFLGAIHAVHVQW-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-137352
CCCC1=NN2CCCN(CC2=C1)C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F	PC-id_161167876	449.154	UQUGMQFARPLPOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137353
Brc1sc(Br)cc1C(=O)CN1c2c(scc2)CCCC1=O	PC-id_63749506	449.181	JUHMOWNVAKFXRJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-137354
CN1C=CC2=C1/C(=NO)/CCN(S2(=O)=O)CCCN3CCN(CC3)C4=CC=C(C=C4)F	PC-id_146931803	449.19	AFECJOLMBQRJRM-NMWGTECJSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137355
COCCN1C(=O)N2CC[C@H](CCC2=N1)CC(=O)NC3=CC=CC=C3CCC4=CC=CC=N4	PC-id_164637222	449.243	OGJUZODRENWBTP-IBGZPJMESA-N	00000000100000111101000000000010000000000000000000000000	31-01-137356
CC(C)C(C(=O)CC1CCC2=NOC(=C2)CCCNC(=O)C1=O)NC(=O)OCC(C)(C)C	PC-id_153245108	449.253	WSFIMDGHHZVVLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137357
CC(C)C(C(=O)CC1CCCC2=NOC(=C2)CCNC(=O)C1=O)NC(=O)OCC(C)(C)C	PC-id_148505781	449.253	MLNWERVBOCEKBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137358
Brc1cc(sc1Br)C(NCC)c1sc2c(CCCCC2)c1	PC-id_80532369	449.267	LUGNOHSWKSKYEO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-137359
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3CCC(CC3)O	PC-id_149375915	449.289	YKSKIJGSBSAMEZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137361
Brc1cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)c(O)cc1	PC-id_4685409	449.318	QFVFHUBIBWSIHM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137362
Brc1oc(C=CC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_4370876	449.318	WHEUJUILYJRNHP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-137363
Brc1cccc(c1)N1CC(CC1=O)C(=O)Nc1nc2CCCNC(=O)c2s1	MCULE-8192095292,PC-id_72719970,EMOLS-id_50139189	449.322	OMHJUJQQQNRIAQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-137364
N#Cc1c(NC(=O)COC(=O)c2cc(Br)ncc2N)sc2c1CCCCC2	ZINC22_95466521,PC-id_75449308,MCULE-5623253513,EMOLS-id_48327138	449.322	BAANPIVWHXELEZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-137365
O=C1NCCCc2nc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Br)c4)C3)sc12	PC-id_99903632,ZINC22_211128557	449.322	OMHJUJQQQNRIAQ-SNVBAGLBSA-N	00000010100000110101100000000010000000000000000000000000	31-01-137366
O=C1NCCCc2nc(NC(=O)[C@H]3CC(=O)N(c4cccc(Br)c4)C3)sc12	ZINC22_211128612,PC-id_99903633	449.322	OMHJUJQQQNRIAQ-JTQLQIEISA-N	00000010100000110101100000000010000000000000000000000000	31-01-137367
CCCCC(CC1COc2c(OC1)c([nH]c2C(=O)OCC)I)CC	SCHEMBL183021,PC-id_66616293	449.324	LSGSEJGGPXFDNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137368
CCCCC(CC1COOc2c(C1)c([nH]c2I)C(=O)OCC)CC	PC-id_22672973,SCHEMBL183020	449.324	FOPIOGSMVOSPAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137369
CCCCCCCCC1COc2c(OC1)c([nH]c2C(=O)OCC)I	PC-id_10939289,SCHEMBL2721524	449.324	DWOGPXMICRWJHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137370
C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_1322338626	449.334	LCHVGWWMLBIVRK-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137371
C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)Cn1nc2n(c1=O)CCCCC2	ZINC22_1322338639	449.334	LCHVGWWMLBIVRK-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137372
Clc1ccc(c(c1)C(n1nccc1NC(=O)Cn1nc2n(c1=O)CCCCC2)C)Cl	MCULE-3116998601,EMOLS-id_320364102,PC-id_139009540	449.334	LCHVGWWMLBIVRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137373
Brc1cc(C2(NC(=O)Cn3nc4n(CCCCC4)c3=O)CCOCC2)ccc1	PC-id_56062302	449.341	QPHCXSGORYTTJK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137374
CC(CCCCn1cnc2c1NC=NCC2O)(Cc1cccc(Br)c1)C(=O)O	BindingDB_PC-id_10718332,PC-id_10718332,CHEMBL290887	449.341	WJETXDWIILBXCI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-137375
CCOC(=O)C(CCCCn1cnc2c1NC=NCC2O)c1cccc(Br)c1	BindingDB_PC-id_10623386,CHEMBL34848,PC-id_10623386	449.341	JKIUINOMGZZBEO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-137376
Brc1cc(CC(CCCCn2c3C(O)CN=CNc3nc2)(C)C(=O)O)ccc1	PC-id_10575477	449.342	MAMLQDLXMHILBG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-137377
Brc1cc(C[C@@](CCCCn2c3C(O)CN=CNc3nc2)(C)C(=O)O)ccc1	PC-id_10623385	449.342	MAMLQDLXMHILBG-FZCLLLDFSA-N	00000000100000110111000000000010000000000000000000000000	31-01-137378
Brc1cc(C[C@](CCCCn2c3NC=NCC(O)c3nc2)(C)C(=O)O)ccc1	PC-id_10765911	449.342	WJETXDWIILBXCI-OTOKDRCRSA-N	00000000100000110111000000000010000000000000000000000000	31-01-137379
Brc1cc(C[C@@](CCCCn2c3NC=NCC(O)c3nc2)(C)C(=O)O)ccc1	PC-id_10837206	449.342	WJETXDWIILBXCI-FZCLLLDFSA-N	00000000100000110111000000000010000000000000000000000000	31-01-137380
Brc1cc(C(CCCCn2c3C(O)CN=CNc3nc2)C(=O)OCC)ccc1	PC-id_10718331	449.342	PVWARJHVPQZXEN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-137381
Brc1cc(/C=C(/c2n3CCCCCc3nn2)C#N)c(OCc2ccccc2)cc1	PC-id_27115442	449.343	VBSPCAOMLBLYGS-CPNJWEJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137382
Brc1cc(C=C(c2n3CCCCCc3nn2)C#N)c(OCc2ccccc2)cc1	PC-id_74519845	449.343	VBSPCAOMLBLYGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137383
Brc1cc(c(NC(=O)CNC(=O)NCCc2n3CCCCCc3nn2)cc1)C	PC-id_52575289	449.345	VSSJLQDTSKBQMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137384
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_86345971,SCHEMBL16100249	449.347	ZLAJQNUDBKBWRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137385
CC(=O)c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460327,SCHEMBL16099497	449.347	WKBDFVKZGAAWDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137386
NC(=O)c1c(NC(=O)c2ccc(c3cccc(Cl)c3Cl)o2)sc2c1CCCCC2	ZINC22_8832476,PC-id_17111635	449.35	PAZDZIBRKSZUPA-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-137387
NC(=O)c1c(NC(=O)c2ccc(c3ccc(Cl)cc3Cl)o2)sc2c1CCCCC2	PC-id_17111634,ZINC22_14273355	449.35	SVWWLXSCJBRXLJ-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-137388
NC(=O)c1c(NC(=O)c2ccc(c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCCC2	PC-id_17111638,ZINC22_14273356	449.35	RUVZUPOLBIMCGV-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-137389
NC(=O)c1c(NC(=O)c2ccc(c3cc(Cl)ccc3Cl)o2)sc2c1CCCCC2	PC-id_17111636,ZINC22_8832477	449.35	WJWVEDIYAHNFQD-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-137390
Brc1cc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)c(OC)cc1	PC-id_5127533	449.361	HNAMGIDKIOCVHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137391
COc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_6278476,ZINC22_10042154	449.361	HNAMGIDKIOCVHA-JXMROGBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137392
CCNCCc1c(C)n(c2=C(Cl)C=C(CC=c12)Cl)CCOc1ccc2c(c1)OCO2	PC-id_142130639	449.37	OBIPATMNMTXSML-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-137393
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCCC	PC-id_3437994	449.384	SJGUHXSLKLIKPA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-137394
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC(C)C	PC-id_5090758	449.384	ZODAWHIRPIIAEW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-137395
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC	PC-id_4344124	449.384	RAUDQCHWZWPDAO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-137396
C[C@H](C(F)(F)F)N1CC=Cc2c(S1(=O)=O)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18357941	449.395	UNACHTOVRHDBNA-SNVBAGLBSA-N	00000000100000110111000000000010000000000000000000000000	31-01-137397
FC(C(NCC1OC(=O)N(C1)c1cc(F)c(c(c1)F)Nc1ccc2-c(cc1)ccc2)O)F	PC-id_143555395	449.398	QZJXSPXOEXLTKG-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-137398
c1(C#N)c2CCCCCCCCCCc2sc1NC(=O)c1nn(cc1Br)C	MCULE-5546043099,TIMTEC177517,EMOLS-id_4135757,ZINC22_2779162,PC-id_4770445	449.408	GRTNJKGMQCFYFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137399
COc1cc(ccc1OC(=O)c1ccc(o1)[N+](=O)[O-])/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3729588,PC-id_5813383	449.416	VVBSDXNRTWNIEK-RVDMUPIBSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137400
COc1cc(ccc1OC(=O)c1ccc(o1)[N+](=O)[O-])C=C(c1nnc2n1CCCCC2)C#N	MCULE-9028719939,EMOLS-id_300232039,PC-id_3394149	449.416	VVBSDXNRTWNIEK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137401
COc1cc(ccc1OC(=O)c1ccc(o1)[N+](=O)[O-])/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_75363169,CoCoCo_3729589	449.416	VVBSDXNRTWNIEK-PTNGSMBKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137402
CC([C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1F)C(F)F)F)C)O	SCHEMBL21337326,PC-id_139471327	449.42	IFZXGHQIYGMEHR-QHDYGNBISA-N	00000000100000110101000000000010000000000000000000000000	31-01-137403
C[C@@H](C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1F)C(F)F)F)C)O	PC-id_140762711	449.42	IFZXGHQIYGMEHR-YMNIQAILSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137404
C[C@@H]([C@H]1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1F)C(F)F)F)C)O	SCHEMBL18353540	449.42	IFZXGHQIYGMEHR-GZMMTYOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137405
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3)OC(F)(F)F)CCn12	EMOLS-id_20620915,PC-id_45221538,MCULE-3576400532,ChEMBL-DNDi_CHEMBL56291203	449.426	REEHSJVHPZVRAT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137406
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2	CoCoCo_1449463,PC-id_42376510,ZINC22_12048949,CoCoCo_1449462	449.426	REEHSJVHPZVRAT-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137407
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2	ZINC22_12048951,CoCoCo_1449465,CoCoCo_1449464,PC-id_42376512	449.426	REEHSJVHPZVRAT-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137408
FC(F)(F)Oc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1	CoCoCo_1420334,CoCoCo_1420333,MCULE-1065738612,ZINC22_19300048,PC-id_28133523,EMOLS-id_20601457	449.426	RNBRKYWJKVJLTB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137409
CCOC(=O)C1=CCCC=Cc2c1cn(n2)Cc1cnc(c(c1)C)OCCC(P)(F)F	SCHEMBL19673341	449.431	DRWAWWFGPVNWTN-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-137410
CCC([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(Nc1ccc(c(c1)C(F)F)F)O)C)O	PC-id_139471156,SCHEMBL21337149	449.445	NVUOSIDXBAHMDY-WHENESEISA-N	00000000100000110101000000000010000000000000000000000000	31-01-137411
O1CCOCCOCCOC(=O)c2nn(Cc3ccccc3)c(n2)C(=O)OCCOCC1	PC-id_13466636	449.454	CKEAZSDACVVYCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137412
O=Cc1ccc(cc1)CNC(=O)c1ccc(cc1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_145578235	449.459	SNPWGTNZWSLQTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137413
CC(OC(=O)C1=CN(CC(c2c1n[nH]c2C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)C)C)C	PC-id_145087409	449.466	OLFBVUYAVMYGTG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-137414
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)SC(F)(C)C)Nc1ccc(c(c1)F)F	PC-id_139471164,SCHEMBL21337156	449.468	JFBJFIIABPAXIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137415
CNC(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20589421,PC-id_137363231	449.469	WBHOEGJBOCMMJM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137416
Fc1ccc(F)c(C(=O)N2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c1F	EMOLS-id_20622879,ZINC22_12049182,MCULE-4079622255,PC-id_42376685,CoCoCo_1452416	449.469	KHTRHKSUSLJOAK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137417
NCC(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_140701326	449.469	SDAHHDOZSXEUDQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137418
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1)Cc1c(n(nc1)CC)C	PC-id_19523857	449.473	FPNYQFSWENPENQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137419
O=C(c1n(C)cc2c1OCC(NS2=O)(C)Cc1nccn1C)Nc1ccc(c(c1)F)F	PC-id_139471055,SCHEMBL21337051	449.474	SNNUHKAENLNDBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137420
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C)C(=O)Nc2ccccc2)cc1	PC-id_46159943	449.477	MERFQTQIHNFGIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137421
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)Nc2ccccc2)C)cc1	PC-id_46049811	449.477	MWRAGLAEAUTIMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137422
Fc1ccc(CNC(=O)CNC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)cc1	PC-id_46159895	449.477	TYTDDRSWMLNDDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137423
Fc1ccc(NC(=O)C(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)C)cc1	PC-id_42855054	449.477	JDZHTJJJMMLLEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137424
Fc1ccc(NC(=O)CN(C(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)C)cc1	PC-id_46159956	449.477	LRBNKIAEGSOQRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137425
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c([N+](=O)[O-])c(OC)c(OC)c(OC)c1	PC-id_24517381	449.478	WOPTVJFYNPBPCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137426
CCCCc1c2OC(=O)C=CC(=O)On2c(c1[N+](=O)[O-])NCCSCc1nc[nH]c1C	PC-id_140329107	449.481	OHVHOMBIGZWCKQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-137427
CC(C(C(=O)NC1Cc2nnoc2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730331,SCHEMBL21109485	449.481	AAYNYPQGIXOINC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137428
CC(C(C(=O)NC1CCc2nnoc2CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730027,SCHEMBL21109177	449.481	NYDDHEVNVFITLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137429
CC(C(C(=O)NC1CCc2onnc2CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109996,PC-id_138730838	449.481	XBRROKNNGZQUBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137430
Fc1cc2CCOc2c(c1)C(CC(C(F)(F)F)(Cc1cc2c([nH]1)C(=CC=CC2)C)O)(C)C	PC-id_143024337	449.481	YQGRLXHUOWGUJW-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-137431
O=C(C(F)(F)F)NC1CCN(CC1)Cc1ccc(cc1)Oc1nc2c(s1)C=CC=CC2	PC-id_143381888	449.489	KYVONLJCWBLQMA-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-137432
CC1CCn2c(nc(n2)Nc2cc(c(cc2)n2cnc(n2)C)F)C(C1)C=C1CC=C(C=C1)F	PC-id_91153708	449.499	LSEVUEMBNQQOIN-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-137433
CC(C)NC(=O)c1ccc(cc1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89582992,SCHEMBL14969415	449.502	RFTQYOUIOVAFIH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137434
CC(C)NC(=O)c1cccc(c1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14969471,PC-id_89583040	449.502	NPBLUBYUUQKWAW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137435
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	ZINC22_12054805,CoCoCo_1141177,PC-id_42381218,CoCoCo_1141178	449.502	OFSIOUOISYSEQS-QGZVFWFLSA-N	00000010100000110101000000001010000000000000000000000000	31-01-137436
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	ZINC22_12054809,CoCoCo_1141179,PC-id_42381224,CoCoCo_1141180	449.502	OFSIOUOISYSEQS-KRWDZBQOSA-N	00000010100000110101000000001010000000000000000000000000	31-01-137437
CC(NC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1)C(=O)NCc1ccco1	MCULE-1910011927,PC-id_46049996,EMOLS-id_25388960	449.502	HMMOHPUNYJJTPU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137438
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccc4OCOc4c3)CCn12	EMOLS-id_20407078,PC-id_45172024,MCULE-8222444417	449.502	OFSIOUOISYSEQS-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-137439
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc4OCOc4c3)CCn12	CoCoCo_1348354,ChEMBL-DNDi_CHEMBL39107761,MCULE-2893243833,EMOLS-id_20553243,ZINC22_12244866,CoCoCo_1348353,PC-id_42482178	449.502	XOHSULLYPSEYKI-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-137440
COc1cc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc2c1OCO2	EMOLS-id_20451141,CoCoCo_1201928,CoCoCo_1201929,PC-id_26277763,MCULE-9077216942,ZINC22_14882020	449.502	UDCGSUFRHTYYLJ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-137441
COC(C(=O)N1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1)c1ccccc1	MCULE-1654503061,ChEMBL-DNDi_CHEMBL94548052,PC-id_45249732,EMOLS-id_20737231	449.502	VXOLYFFGAZGCTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137442
CO[C@@H](C(=O)N1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1)c1ccccc1	ZINC22_15007861,CoCoCo_1627784	449.502	VXOLYFFGAZGCTI-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137443
CO[C@H](C(=O)N1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1)c1ccccc1	ZINC22_15007863,CoCoCo_1627785	449.502	VXOLYFFGAZGCTI-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137444
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)NCc1occc1)Cc1ccc(cc1)C	PC-id_42855070	449.502	KKGQVFUSSKSOFW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137445
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1occc1)Cc1ccc(cc1)C	PC-id_42855088	449.502	RTZXSDXAXMFEJH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137446
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1occc1)Cc1cc(ccc1)C	PC-id_42855116	449.502	ZTGALNIQIMBQGT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137447
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)NCc1occc1)Cc1c(cccc1)C	PC-id_42855120	449.502	ZVWFZRXZLXHSEC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137448
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1occc1)Cc1c(cccc1)C	PC-id_42855139	449.502	VULONVGROUFFAY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137449
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1occc1)C)Cc1ccc(cc1)C	PC-id_42855078	449.502	WTTLXTRSMLLOAC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137450
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1occc1)C)Cc1c(cccc1)C	PC-id_46050046	449.502	OHBBFDMLUMXQSY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137451
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1occc1)C)Cc1cc(ccc1)C	PC-id_46159984	449.502	IMCOFTCQMKKJQG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137452
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)NCc1ccco1	PC-id_93332626	449.502	HMMOHPUNYJJTPU-KRWDZBQOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137453
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)NCc1ccco1	PC-id_93332627	449.502	HMMOHPUNYJJTPU-QGZVFWFLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137454
O=C(NCc1n2CCCCCc2nn1)c1ccc(OCC(=O)Nc2cc(OC)ccc2)cc1	PC-id_24676656	449.502	HOZUVAJAEVORKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137455
O=c1n2CCCCCc2nn1CC(=O)N(c1c(n(CC(C)C)c(=O)[nH]c1=O)N)CCOC	PC-id_55478150	449.504	KMPWUTJDZUDKBW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-137456
CN1c2cc(CC3CCOC3)nn2CC[C@H](NC(=O)c2ncn(Cc3ccccc3)n2)C1=O	BindingDB-id_1066484,PC-id_134607426,SCHEMBL20262304	449.506	TVGDECMBWPOEEO-NNBQYGFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-137457
CN1c2cc(nn2CCC(C1=O)NC(=O)c1nn(cn1)Cc1ccccc1)CC1CCOC1	PC-id_134607427,SCHEMBL20262305	449.506	TVGDECMBWPOEEO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-137458
CN1c2cc(nn2CCC(C1=O)NC(=O)c1n[nH]c(n1)Cc1ccccc1)CC1CCOC1	PC-id_134607495,SCHEMBL20262380	449.506	OHQDUHZFBVUNIW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-137459
COc1ccc(CCC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1	PC-id_118394500,BindingDB-id_913868,SCHEMBL17112934	449.506	KCCXZLKJIBUZJK-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-137460
FC(F)(F)c1cccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c1	MCULE-3073543400,CoCoCo_1219406,CoCoCo_1219405,PC-id_28738975,ZINC22_20210572,EMOLS-id_20463799	449.512	WWOOMAKCJIOTLL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137461
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C	PC-id_46657080	449.514	SOFDSWSAMJZACW-IBGZPJMESA-N	00000000100000110100000000000010000000000000000000000000	31-01-137462
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C	PC-id_75208410	449.514	SOFDSWSAMJZACW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137463
s1c2CCCCCc2c(c1NC(=O)CN(Cc1cc(OC(F)F)c(OC)cc1)C)C#N	PC-id_33714678	449.514	MCNIBWICIPPPHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137464
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCCNC(=O)c1c(F)cc(F)cc1	PC-id_41441646	449.514	HSFLPDQGFAWKAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137465
CCNC(=NCc1nnc2n1CCCCC2)N1CCN(CC1)c1cccc(c1)C(F)(F)F	PC-id_111234093	449.516	POEXCNSJWAFZPS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137466
CN=C(NC1CCN(C1)Cc1ccc(cc1)C(F)(F)F)NCc1nnc2n1CCCCC2	PC-id_111922927	449.516	CPICWSUUFHKSQH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-137467
Cn1c2c(CCCCC2=Cc2cc(ccc2)F)c(n1)C(=O)NC(Cc1ccc(cc1)O)CO	PC-id_91135680	449.517	NHRHEFKAVDWNOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137468
Fc1cc(/C=C/c3n(nc(c3CCCC2)C(=O)NC(Cc2ccc(O)cc2)CO)C)ccc1	SCHEMBL176591,PC-id_66614788	449.517	NHRHEFKAVDWNOW-CPNJWEJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137469
Fc1cc(/C=C/c3n(nc(c3CCCC2)C(=O)N[C@@H](Cc2ccc(O)cc2)CO)C)ccc1	PC-id_25069882,SCHEMBL13746018	449.517	NHRHEFKAVDWNOW-YMFQVDJJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137470
Fc1c(C(=O)N2CCn3c(nnc3CC2)[C@H](NC(=O)C[NH+](C)C)CC(C)C)ccc(F)c1	PC-id_42319062	449.517	LNIUSSZHIQRADO-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137471
Fc1c(C(=O)N2CCn3c(nnc3CC2)[C@@H](NC(=O)C[NH+](C)C)CC(C)C)ccc(F)c1	PC-id_42319065	449.517	LNIUSSZHIQRADO-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137472
Fc1c(C(=O)N2CCn3c(nnc3CC2)C(NC(=O)C[NH+](C)C)CC(C)C)ccc(F)c1	PC-id_74791833	449.517	LNIUSSZHIQRADO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137473
N#Cc1ccc(cc1)c1ccc(cc1)OCCCCC(=O)OC1COc2c(OC1)csc2	PC-id_57838390,SCHEMBL13701392	449.519	MONWAHUYCBVFLX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137474
C/C=C/C=CC1C(=C)Nc2c(CN1C(=O)c1ccc(c(c1)F)CNC(=O)C1CC1)cnn2C	PC-id_143189000	449.521	HINRAMLVESPBQB-DBYMJTHYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-137475
C=CCOc1ccccc1CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1	CoCoCo_1158615,EMOLS-id_20419831,ZINC22_19743640,CoCoCo_1158614,MCULE-2213454179,PC-id_28311925	449.521	NFSOLSWHCNWJDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137476
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)CNC(=O)Cc1cccc(c1)F	CoCoCo_1196903,CoCoCo_1196905	449.521	MZUBTKQYPAMZED-HYXAFXHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137477
COc1ccccc1/C=C/CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1	CoCoCo_1437727,CoCoCo_1437725,EMOLS-id_44853419,ZINC22_14957086,PC-id_26319929	449.521	RXMRKNVFMAVXRO-VMPITWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137478
COc1ccccc1/C=CCN1CCn2c(CC1)nnc2CNC(=O)Cc1cccc(c1)F	CoCoCo_1437726,CoCoCo_1437724	449.521	RXMRKNVFMAVXRO-YVMONPNESA-N	00000000100000110101000000000010000000000000000000000000	31-01-137479
COc1ccc(/C=C/CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1	CoCoCo_1196906,EMOLS-id_44851623,PC-id_28729832,ZINC22_20201163,CoCoCo_1196904	449.521	MZUBTKQYPAMZED-HWKANZROSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137480
Fc1cccc(Cn2nc3CCCCC(C(=O)N4CCN(CC4)c4ccccc4)n3c2=O)c1	EMOLS-id_207869553,MCULE-2737676645	449.521	YDRKRJMXQJZVDO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137481
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4ccc5OCCc5c4)CCn23)cc1	CoCoCo_1290472,ZINC22_11997692,ChEMBL-DNDi_CHEMBL30523753,CoCoCo_1290473,MCULE-4546581172,EMOLS-id_20513253,PC-id_42342583	449.521	DLCHJDABFNOIQM-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-137482
n12CCN(CCc1nnc2CNC(=O)Cc1cccc(F)c1)CC=Cc1ccccc1OC	PC-id_74495965,MCULE-6992863858	449.521	RXMRKNVFMAVXRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137483
n12CCN(CCc1nnc2CNC(=O)Cc1cccc(F)c1)CC=Cc1ccc(cc1)OC	PC-id_74567490,MCULE-4673962167	449.521	MZUBTKQYPAMZED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137484
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)Nc1ccc(cc1)C	EMOLS-id_1230995,BAS-00486797,CoCoCo_81762,ZINC22_3100270,PC-id_3109201,MCULE-5040003840	449.522	ICBLMPJOKMQLLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137485
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)Nc1ccccc1C	MCULE-9672329252,PC-id_2251796,CoCoCo_81731,EMOLS-id_1230933,BAS-00486736,ZINC22_2904397	449.522	XZHLFWRWKTYWTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137486
C1CCCc2c(CC1)c(c(s2)N=Cc1c(ccc(c1)[N+](=O)[O-])O)C(=O)Nc1ccccc1	PC-id_137051311	449.522	PIPONXOSMMKIJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137487
NC(=O)COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709939	449.522	CREVRQPWXMILEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137488
NC(=O)COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709947	449.522	LBGWAOZGTDOYRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137489
O=C(Nc1ccccc1)c1c(/N=C/c2cc([N+](=O)[O-])ccc2O)sc2c1CCCCCC2	ZINC22_408969527	449.522	PIPONXOSMMKIJI-MFKUBSTISA-N	00000000100000110100000000000010000000000000000000000000	31-01-137490
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCc1oc(c2ccccc2)cn1)C#N	PC-id_42295842	449.522	OVAPIQFHPZPPLH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137492
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CN1C(=C)c2c(C1=O)cccc2)C)C#N	PC-id_55497141	449.522	BYKGUOAGLFXOOT-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-137493
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)c1cc(ccc1O)C	PC-id_56024836	449.524	JKNDOTGUVLWCJS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137494
S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(cc1)C	PC-id_55477736	449.524	BIRAZMCFJHCPIU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137495
C=CCn1c(=O)c(=Cc2ccc(c(c2)O)OC)sc1=C(c1nnc2n1CCCCC2)C#N	MCULE-4645122762,EMOLS-id_300765745,PC-id_4283169	449.525	UQUUVWWRFXQYTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137496
C=CCn1c(=O)/c(=Cc2ccc(OC)c(O)c2)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	ZINC22_34700733	449.525	UQUUVWWRFXQYTL-HUQFEWAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137497
N#CC(c1nnc2n1CCCCC2)C(=O)c1cccc(c1)S(=O)(=O)N(c1ccccc1)C	PC-id_112772621	449.525	ALBXJMBZRGXAKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137498
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(cc1)S(=O)(=O)N(c1ccccc1)C	PC-id_112772624	449.525	CEVWFRKDHSQZNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137499
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(n2nc(cc2C)C)nc1)C#N	PC-id_55644758	449.525	OLARYZJZCMVOJZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-137500
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1cc(O)c(OC)cc1)CC=C	PC-id_2309346	449.525	UQUUVWWRFXQYTL-FGJOXATNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137501
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CCC(=O)c1sccc1)C(=O)OC	PC-id_3375873	449.54	UCXQBAWHSHROGS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-137502
Cn1ccc2c1C(CCN(S2(=O)=O)CCCN1CCN(CC1)c1ccc(cc1)F)N=O	PC-id_90783982	449.542	KYHLNKKRCKHRFI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137503
CN1CCC(c2c(S1(=O)=O)ccn2CCCN1CCN(CC1)c1ccc(cc1)F)N=O	PC-id_91109772	449.542	NXHHTUIGVFBGEJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137504
ON=C1CCN(S(=O)(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccc(cc1)F	PC-id_22065887,SCHEMBL5852737	449.542	AFECJOLMBQRJRM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137505
O/N=C/1CCN(S(=O)(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccc(cc1)F	SCHEMBL5852734	449.542	AFECJOLMBQRJRM-FCDQGJHFSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137506
O/N=C/1CCN(S(=O)(=O)c2c1n(CCCN1CCN(CC1)c1ccc(cc1)F)cc2)C	SCHEMBL6832070	449.542	ZZOGTXRJRJIAAA-FCDQGJHFSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137507
ON=C1CCN(S(=O)(=O)c2c1n(CCCN1CCN(CC1)c1ccc(cc1)F)cc2)C	SCHEMBL6832072,PC-id_59071619	449.542	ZZOGTXRJRJIAAA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137508
S1(=O)(=O)N(CC/C(=N/O)/c2n(CCCN3CCN(CC3)c3ccc(F)cc3)ccc12)C	PC-id_22714962	449.542	ZZOGTXRJRJIAAA-NMWGTECJSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137509
S(=O)(=O)(N1CCCCC1)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1F	PC-id_55488156	449.542	KVOILMTUQNHADR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137510
S(=O)(=O)(N1CC(CCC1)C(=O)NCCc1n2CCCCCc2nn1)c1ccc(F)cc1	PC-id_55535983	449.542	RTIQTWVMSMZDHI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137511
c1(NC(=S)Nc2c(OC)ccc(c2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	MCULE-9547555904,ZINC22_8682761,TIMTEC468417,EMOLS-id_2004207,CoCoCo_1003126,PC-id_2212134,ChEMBL-DNDi_CHEMBL7840484,CHEMBL1377015,ChEMBL-DNDi_CHEMBL1377015	449.544	TYEJGRJDQIYABW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137512
Cc1ccc(cc1)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1cc[nH]2	PC-id_139709974	449.544	CPEDNGHUMXPSFG-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-137513
Cn1ccc2c1CCCCN2C(=O)c1ccc(NC(=O)c2ccccc2c2ccccc2)cc1	BindingDB_PC-id_11351397,CHEMBL176264,PC-id_11351397	449.544	RRHOINWFAMAGIC-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-137514
Fc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cc4ccccc4s3)CCn12	PC-id_28133506,CoCoCo_1420282,MCULE-6329607479,EMOLS-id_20601409,CoCoCo_1420283,ZINC22_19300015	449.544	NDHWWRWDXJVYLZ-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-137515
O=C1N(CCc2c(/C/1=C/c1ccccc1)n(COCc1ccccc1)cn2)Cc1ccccc1	PC-id_145965931	449.544	SINDSJKCMKXNBJ-ITYLOYPMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137516
O=C(NC(C(=O)NC1Cc2ccn(n2)CCCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21110325,PC-id_138731165	449.544	HCLOSQQTTQVXBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137517
O=C(NC(C(=O)NC1Cc2cnc([nH]2)CCCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138730652,SCHEMBL21109807	449.544	INGAGEPDYMZQHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137518
O=C(NC(C(=O)NC1Cc2[nH]nc(c2)CCCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21111061,PC-id_138731832	449.544	BKIUPIDKEXIHCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137519
O=C(NC(C(=O)NC1CCc2cnn(c2)CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21109768,PC-id_138730613	449.544	KURIZJZANHJDSH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137520
O=C(NC(C(=O)NC1CCc2n[nH]c(c2)CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21111026,PC-id_138731804	449.544	RGMYLCYGMQAFQH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137521
O=C(NC(C(=O)NC1CCCc2[nH]nc(c2)CCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138731185,SCHEMBL21110345	449.544	FTLWFHBLSUSTAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137522
O=C(NC(C(=O)NC1CCCn2ncc(c2)CCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21110020,PC-id_138730862	449.544	OAZGEQKXAQTNMF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137523
s1c2c(CCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(OC)cc1)C(=O)OCC	PC-id_20411898	449.544	YFWYNKXCMUMHGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137524
s1c2c(CCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(OCC)cc1)C(=O)OC	PC-id_20411972	449.544	DEJNVJMRRFWHPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137525
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC)cc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_20412544	449.544	TWMJIQGKZXIIJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137526
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(OC)cc1)C(=O)OC	PC-id_20411891	449.544	JNNVBLSTOPWYJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137527
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC)ccc([N+](=O)[O-])c1)C(=O)OC	PC-id_20412412	449.544	BRHMIXQNTUTCTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137528
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC)cc([N+](=O)[O-])cc1)C(=O)OC	PC-id_20412537	449.544	SKOCTRCLIDKEIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137529
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1)c1c([N+](=O)[O-])cccc1	PC-id_29843395	449.544	VZZFTYYUBMTMDA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137530
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3cc(OC)cc(OC)c3)CCn12	PC-id_45171673,MCULE-9421286331,EMOLS-id_20405520	449.545	SNIAQUAQEBXCPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137531
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccccc3OCC)CCn12	PC-id_45181065,MCULE-5926314482,EMOLS-id_20446119	449.545	OWSRJNBAEMFHND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137532
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(cc3)OCC)CCn12	PC-id_45192128,EMOLS-id_20493961,MCULE-3152237911	449.545	BAOOUOPTZPARFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137533
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(c(C)c3)OC)CCn12	MCULE-3720233803,PC-id_45209008,EMOLS-id_20567809	449.545	LVZRIZJIFZZIJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137534
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccccc3c3ccco3)CCn12	MCULE-7937817926,EMOLS-id_20566563,PC-id_45208726	449.545	HJDNDSLUUJQPRS-UHFFFAOYSA-N	00000000101010110101100000000010000000000000000000000000	31-01-137535
C1N(CCC1)C(=O)C1CCN(CC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	PC-id_46049499,EMOLS-id_25387220,MCULE-5803440249	449.545	YWSDUNPKFGIYAF-UHFFFAOYSA-N	00000010100010110101000000000010000000000000000000000000	31-01-137536
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cccc(OCCO)c3)CCn12	EMOLS-id_20506661,CoCoCo_1280979,MCULE-6275849352,PC-id_42273693,ZINC22_11909631,CoCoCo_1280978	449.545	YTMBZEYZKPZHFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137537
CCc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(OC)c(OC)c2)c1	CoCoCo_6602513,ZINC22_28534698,PC-id_16458909,MCULE-9290203581	449.545	YVSQRZPIDJBTQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137538
C/C=C/1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)CCC(=O)N1CCC(=O)CC1	PC-id_143188731	449.545	JCLODEHSRVEDRD-IPBDZQFASA-N	00000000100010110101000000000010000000000000000000000000	31-01-137539
CC(CC(c1nnc2n1CCN(CC2)C(=O)c1ccco1)NC(=O)c1cc(C)cc(c1)C)C	ChEMBL-DNDi_CHEMBL43175122,PC-id_45166746	449.545	QZTOBPCXUFFQMJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137540
CC(C)Oc1ccc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)cc1	PC-id_29085128,MCULE-2447884460,ZINC22_20598783,CoCoCo_1256244,CoCoCo_1256245,EMOLS-id_20489569	449.545	PTGWGEUDQUUFJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137541
C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccccc1c1ccco1)CC2	ZINC22_14987262,CoCoCo_1368010,CoCoCo_1368011	449.545	HJDNDSLUUJQPRS-GOSISDBHSA-N	00000000101010110101100000000010000000000000000000000000	31-01-137542
C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccccc1c1ccco1)CC2	ZINC22_14987263,CoCoCo_1368012,CoCoCo_1368013	449.545	HJDNDSLUUJQPRS-SFHVURJKSA-N	00000000101010110101100000000010000000000000000000000000	31-01-137543
CCOc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccc(OC)cc3)n2CC1	CoCoCo_1253155,MCULE-8220548847,CoCoCo_1253156,EMOLS-id_20487285,ZINC22_20598421,PC-id_29084615	449.545	LFXRZIHZVWOFAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137544
CCOc1ccccc1CN1CCc2nnc(C(C)NC(=O)COc3ccccc3)n2CC1	MCULE-3397361446,EMOLS-id_20582981,PC-id_45212548	449.545	RZLBKDOCTSUOEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137545
CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)c3cccc(OC)c3)n2CC1	CoCoCo_1194846,CoCoCo_1194845,PC-id_26275715,ZINC22_14879761	449.545	OWSRJNBAEMFHND-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137546
CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)c3cccc(OC)c3)n2CC1	PC-id_26275713,CoCoCo_1194843,CoCoCo_1194844,ZINC22_14879760	449.545	OWSRJNBAEMFHND-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137547
CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1	CoCoCo_1392911,PC-id_26350065,CoCoCo_1392912,ZINC22_14994619	449.545	RZLBKDOCTSUOEQ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137548
CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1	CoCoCo_1392914,ZINC22_14994621,PC-id_26350069,CoCoCo_1392913	449.545	RZLBKDOCTSUOEQ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-137549
CCOc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1	CoCoCo_1253252,CoCoCo_1253253,MCULE-9324131881,ZINC22_20598431,EMOLS-id_20487353,PC-id_29084632	449.545	POMUAFBXBKVINJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137550
CCOc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccc(OC)c4)n3CC2)cc1	CoCoCo_1262552,ZINC22_20599603,CoCoCo_1262553	449.545	BAOOUOPTZPARFQ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137551
CCOc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccc(OC)c4)n3CC2)cc1	CoCoCo_1262555,ZINC22_20599604,CoCoCo_1262554	449.545	BAOOUOPTZPARFQ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137552
COc1ccccc1C(=O)NCc1nnc2CCN(Cc3ccc(OC(C)C)cc3)CCn12	ZINC22_19838311,MCULE-4621740234,EMOLS-id_20435885,CoCoCo_1180763,ChEMBL-DNDi_CHEMBL16779489,CoCoCo_1180764,PC-id_28391991	449.545	HUWIVHFSGJSCIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137553
COc1cccc(c1O)CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)CCc1ccccc1)C	CoCoCo_1305954,PC-id_42369142,CoCoCo_1305953	449.545	DGGMWZNMGUCMIA-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137554
COc1cccc(c1O)CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)CCc1ccccc1)C	PC-id_42369150,CoCoCo_1305955,CoCoCo_1305956	449.545	DGGMWZNMGUCMIA-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137555
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(OC)c(C)c2)CC3)c1	CoCoCo_1369824,ZINC22_14988012,CoCoCo_1369825	449.545	LVZRIZJIFZZIJB-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137556
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(OC)c(C)c2)CC3)c1	ZINC22_14988009,CoCoCo_1369827,CoCoCo_1369826	449.545	LVZRIZJIFZZIJB-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137557
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)c(O)c1	PC-id_26274284,ZINC22_14878596,CoCoCo_1189046,EMOLS-id_20441725,MCULE-6121419060,CoCoCo_1189047,ChEMBL-DNDi_CHEMBL17684849	449.545	UGTPBBYRFSPTCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137558
COc1ccc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)cc1C	PC-id_45208865,EMOLS-id_20567199,MCULE-6219651478	449.545	JZIIIPWFEYRFHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137559
COc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1C	ZINC22_20601417,CoCoCo_1276862,PC-id_29088733,EMOLS-id_20503831,MCULE-3692319625,CoCoCo_1276861	449.545	KRABZLWFTGCJNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137560
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C	CoCoCo_1368905,CoCoCo_1368904,PC-id_26342178,ZINC22_14987631	449.545	JZIIIPWFEYRFHG-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137561
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C	PC-id_26342187,CoCoCo_1368907,CoCoCo_1368906,ZINC22_14987638	449.545	JZIIIPWFEYRFHG-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-137562
COc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c(OC)c1C	CoCoCo_1135488,EMOLS-id_20402830,CoCoCo_1135487,ZINC22_23129888,PC-id_30853584,MCULE-2712406019	449.545	LUSQVUYVRGBYQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137563
COc1cccc(OC)c1CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1	MCULE-9260442835,PC-id_42371596,EMOLS-id_20526339,CoCoCo_1309456,CoCoCo_1309455,ZINC22_12040602	449.545	BVKTUHZDWRPODL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137564
COc1cc(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)ccc1O	MCULE-7334695135,EMOLS-id_20540851,PC-id_45202833	449.545	IOYHZNFMDKPNCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137565
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)cc(OC)c1	ZINC22_12053232,PC-id_42379689,CoCoCo_1139097,CoCoCo_1139096	449.545	SNIAQUAQEBXCPO-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137566
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)cc(OC)c1	ZINC22_12053235,CoCoCo_1139099,CoCoCo_1139098,PC-id_42379694	449.545	SNIAQUAQEBXCPO-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137567
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)ccc1O	CoCoCo_1330388,CoCoCo_1330387,PC-id_42438169,ZINC22_12162602	449.545	IOYHZNFMDKPNCH-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137568
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)ccc1O	ZINC22_12162610,CoCoCo_1330389,CoCoCo_1330390,PC-id_42438174	449.545	IOYHZNFMDKPNCH-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137569
COCCC(=O)NC(C)c1nnc2CCN(Cc3cccc(Oc4ccccc4)c3)CCn12	EMOLS-id_20746045,PC-id_45252017,MCULE-9481099061	449.545	GPDMNBHXPDCFPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137570
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2	CoCoCo_1641633,ZINC22_15070354,PC-id_26401422,CoCoCo_1641634	449.545	GPDMNBHXPDCFPJ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-137571
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2	ZINC22_15070356,CoCoCo_1641631,CoCoCo_1641632,PC-id_26401425	449.545	GPDMNBHXPDCFPJ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137572
n12CCN(CCc1nnc2CCNC(=O)C1CCOCC1)Cc1ccc(cc1)c1ccco1	ZINC22_20452195,EMOLS-id_20475837,PC-id_28955479,MCULE-2391697428,CoCoCo_1236794,CoCoCo_1236795	449.545	CELBZKPXBGJKMS-UHFFFAOYSA-N	00000000101010110101100000000010000000000000000000000000	31-01-137573
Oc1c(CN2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cccc1OC	PC-id_45198913	449.545	DGGMWZNMGUCMIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137574
O=C(C1=c2ccn(c2=CCC=C1)C)N(C1CCc2c(C1)cn(n2)C(=O)OC(C)(C)C)C1CN1	SCHEMBL19048512	449.545	KLSBIZSXLAIKDA-UHFFFAOYSA-N	00100000100010000111000000010010000000000000000000000000	31-01-137575
O=C(CCN(C1CC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1)N1CCCC1	PC-id_46049647,MCULE-2126131349,EMOLS-id_25387280	449.545	OFDOWSXJRUJGPM-UHFFFAOYSA-N	00100010100000110101000000000010000000000000000000000000	31-01-137576
O=C([C@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCC1CC1	PC-id_93332098	449.545	SHINSXARVPFQRW-OAQYLSRUSA-N	00100000100010110101000000000010000000000000000000000000	31-01-137577
O=C([C@@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCC1CC1	PC-id_93332099	449.545	SHINSXARVPFQRW-NRFANRHFSA-N	00100000100010110101000000000010000000000000000000000000	31-01-137578
O=C(N1CCCC1)C1N(CCCC1)C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049492	449.545	JJUNOHCAVAOKGB-UHFFFAOYSA-N	00000010100010110101000000000010000000000000000000000000	31-01-137579
O=C(N1CCn2c(nnc2CC1)[C@H](NC(=O)c1cc(cc(c1)C)C)CC(C)C)c1occc1	PC-id_42361819	449.545	QZTOBPCXUFFQMJ-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137580
O=C(N1CCn2c(nnc2CC1)[C@@H](NC(=O)c1cc(cc(c1)C)C)CC(C)C)c1occc1	PC-id_42361822	449.545	QZTOBPCXUFFQMJ-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-137581
O=C(N(C1CC1)CCC(=O)NCC1CC1)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049645	449.545	ISOBSSNJOUHQKN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-137582
O=C(NCC1CC1)C1CCCCN1C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049490,EMOLS-id_25387060,MCULE-8120205686	449.545	SHINSXARVPFQRW-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-137583
O=C(NCC1CC1)C1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049497	449.545	WIGVZEKUPMQBGU-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-137584
O=C(NCCc1n2CCCCCc2nn1)Nc1cc(COCCOc2ccccc2)ccc1	PC-id_60488035	449.545	RNOUTMZUIJFXND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137585
CC(C)C[C@H]1NC(=O)CCCn2cc(CNC(=O)[C@@H](C)NC(=O)[C@@H](NC1=O)C(C)C)nn2	EMOLS-id_289959304,ZINC22_952856256,MCULE-1816967039	449.547	VCBNEBDNMLIAJB-KYJSFNMBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137586
O=C1NC(=O)N(C(N)C1N(CC(C)C)C(=O)Cn1nc2n(CCCCC2)c1=O)CC(C)C	PC-id_76238768	449.547	SUDRELXKQGQRGJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137587
O=C1NC(=O)N(C(N)C1N(CCCC)C(=O)Cn1nc2n(CCCCC2)c1=O)CC(C)C	PC-id_76238769	449.547	SXAYLBBFFIIMIN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137588
COc1ccc(cc1)C(=O)c1c(C)c(c2-c1ccccc2)Cc1scc(n1)c1ccccc1	PC-id_139814863	449.563	MYMGCGAXKBGXHJ-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-137589
s1c(nc(c1)c1ccc(OC)cc1)Cc1c(c(c2-c1ccccc2)C(=O)c1ccccc1)C	PC-id_9824972	449.563	QGRMDGWIPKMNRB-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-137590
Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1C	ZINC22_20915531,MCULE-2636779422,ChEMBL-DNDi_CHEMBL36158730,EMOLS-id_20539851,CoCoCo_1328898,PC-id_29217118,CoCoCo_1328897	449.564	MQRZWMNKMWAEHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137591
CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1	EMOLS-id_20567057,ChEMBL-DNDi_CHEMBL42365693,CoCoCo_1368692,CoCoCo_1368693,MCULE-4312595699,ZINC22_14987563,PC-id_26342107	449.564	SGVNJYODFXELDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137592
CC(C)Cc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1	ZINC22_14995158,PC-id_26350661,CoCoCo_1394674,EMOLS-id_20584077,MCULE-1205485140,CoCoCo_1394673	449.564	LMGUCYHDTYQCQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137593
CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1	EMOLS-id_20565879,ZINC22_14987000,MCULE-3159592382,CoCoCo_1367001,CoCoCo_1367002,PC-id_26341517	449.564	RIBMITBEQXHAGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137594
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)C1OCCC1)C(=O)OC	PC-id_22197239	449.564	NXVRQVLRGAGCGU-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-137595
c1(NC(=O)CCC(=O)Nc2ccc(cc2)OCc2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_335117617,MCULE-1914703432	449.565	NHFIGBLFFIGSBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137596
c1(NC(=O)CCC(=O)Nc2cccc(c2)OCc2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_335124278,MCULE-7819778887	449.565	LPMCKFQKSZABND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137597
CCOC(=O)c1ccc(cc1)NC(=O)c1c(NCc2ccncc2)sc2c1CCCCC2	PC-id_5164140,CoCoCo_6393587	449.565	SFZKOJUSNGUOFW-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-137598
Fc1cnc(nc1)N1CCN(CC1)CCCCN1C(=O)CSc2c(C1=O)cc(s2)C	SCHEMBL9040565,PC-id_19881071	449.565	YDBPWULLXUHFTQ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-137599
s1c2CCCCCCCCCCc2c(c1NC(=O)CN1C(=O)c2c(C1=O)cccc2)C#N	PC-id_24051657	449.565	RLBPWGVJZLMUOR-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-137600
CC(Cc1ccc2c(c1)OCO2)CN1CCn2c(CC1)nnc2CNS(=O)(=O)C(C)C	PC-id_45186845,ChEMBL-DNDi_CHEMBL22418142	449.567	QKAXUNDMAVGLDC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-137601
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCn2c(CC1)nnc2CNS(=O)(=O)C(C)C	CoCoCo_1229649,CoCoCo_1229651	449.567	QKAXUNDMAVGLDC-INIZCTEOSA-N	00000010100000100101000000001010000000000000000000000000	31-01-137602
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCn2c(CC1)nnc2CNS(=O)(=O)C(C)C	CoCoCo_1229652,CoCoCo_1229650	449.567	QKAXUNDMAVGLDC-MRXNPFEDSA-N	00000010100000100101000000001010000000000000000000000000	31-01-137603
OCCCN1COCN(c2c(C1=O)n(Cc1scc(n1)C)c(n2)OC1CCCCC1)C	PC-id_144762609	449.567	RQWOSKVASOQKKF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137604
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1sccc1)C(=O)OC	PC-id_4532404	449.567	VZAHBXWANFTONC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-137605
s1c(N(CCCCC)C(=O)Cn2nc3n(CCCCC3)c2=O)nc(c1C(=O)OCC)C	PC-id_55582601	449.567	QYIIJQDFDXUPEO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137606
S(=O)(=O)(N(CC)CC)c1cc(C(=O)NCCc2n3CCCCCc3nn2)c(OC)cc1	PC-id_55652047	449.567	GMKXPCAAAALLOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137607
S(=O)(=O)(NC(CC(C)C)C(=O)NCc1n2CCCCCc2nn1)c1ccc(OC)cc1	PC-id_24646577	449.567	TZNXRKCWCCPJDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137608
S(=O)(=O)(NC(C(C)C)C(=O)NCCc1n2CCCCCc2nn1)c1ccc(OC)cc1	PC-id_76277288	449.567	QRTBBSDJTZETCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137609
S(=O)(=O)(N[C@@H](C(C)C)C(=O)NCCc1n2CCCCCc2nn1)c1ccc(OC)cc1	PC-id_55941876	449.567	QRTBBSDJTZETCI-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137610
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3cc4c(cccc4)s3)CCn12	MCULE-8128091912,ChEMBL-DNDi_CHEMBL14247572,PC-id_45174822,EMOLS-id_20418946	449.568	ZXBNHZAWOPHENP-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-137611
Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2nnc3n2CCCCC3)cc1	MCULE-6432616598,ZINC22_9884419,CoCoCo_3081823,EMOLS-id_11669124,PC-id_16270520	449.568	BNRJBFWZSLEFLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137612
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	CoCoCo_1157366,ZINC22_11974937,CoCoCo_1157367	449.568	ZXBNHZAWOPHENP-JOCHJYFZSA-N	00000000101000100101000001000010000000000000000000000000	31-01-137613
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	CoCoCo_1157369,ZINC22_11974943,CoCoCo_1157368	449.568	ZXBNHZAWOPHENP-QFIPXVFZSA-N	00000000101000100101000001000010000000000000000000000000	31-01-137614
s1c2CCCCCc2c(c1NC(=O)C(Nc1c(n(n(c1=O)c1ccccc1)C)C)C)C#N	PC-id_55430330	449.568	CWHXDWOOEJWJDW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137615
CCCCN(C(=O)CSc1nnc2n1CCCCC2)c1c(N)n(CCC)c(=O)[nH]c1=O	PC-id_16336283,ZINC22_9579754,MCULE-9034088769,CoCoCo_3081966,EMOLS-id_3687426,CoCoCo_3081965	449.57	RRTYLHDRZJAMIU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-137616
Cc1cc(C(=O)NCCCc2nnc3n2CCCCC3)c2c(n1)n(nc2)Cc1cccs1	PC-id_86884596	449.572	HMCODVLPABDUIG-UHFFFAOYSA-N	00000000100100100101000001000010000000000000000000000000	31-01-137617
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(C)n1[C@@H]1CCS(=O)(=O)C1	PC-id_51713539,ZINC22_36235077	449.583	DGZNEEXFDZFMIO-QGZVFWFLSA-N	00000010110000000100100000000010000000000000000000000000	31-01-137618
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(C)n1[C@H]1CCS(=O)(=O)C1	ZINC22_36235080,PC-id_51713540	449.583	DGZNEEXFDZFMIO-KRWDZBQOSA-N	00000010110000000100100000000010000000000000000000000000	31-01-137619
COC(=O)[C@H]1[C@H](CCC(=C)C)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966447	449.583	JWPLSKZAWBZQSU-TZIWHRDSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137620
O=C(c1cc2c(s1)CCCCC2)OCC(=O)c1cc(n(c1C)C1CCS(=O)(=O)C1)C	EMOLS-id_43703903,PC-id_42984122,MCULE-9565711654	449.583	DGZNEEXFDZFMIO-UHFFFAOYSA-N	00000010110000000100100000000010000000000000000000000000	31-01-137621
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C(=O)OCC	PC-id_41148606	449.583	ZVYYWBVBGTXYFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137622
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)C(C)C)ccc1)C(=O)OCC	PC-id_41147913	449.583	FHHZRCIHLFXUAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137623
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)CC)cc1)C(=O)OCC	PC-id_41145848	449.583	VFXJIPVQRBEESE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137624
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)OC	PC-id_16837998	449.583	ITOQOWYDQFKEEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137625
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(cc1)C)C(=O)OC	PC-id_41273439	449.583	JXRWMAVZFDDRDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137626
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccccc1)C(=O)OCC	PC-id_41273115	449.583	MPWLSLVPGNQKJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137627
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)Cc1ccccc1)C(=O)OC	PC-id_41611830	449.583	IZZGKYKMDGYLGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137628
s1c2c(CCCCC2)c(c1NC(=O)CCS(=O)(=O)Cc1ccccc1)C(=O)OCC	PC-id_41582905	449.583	JAVMNBUBYONURY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137629
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCC(=C)C)C(=O)OC)c1ccc(OC)cc1	PC-id_76442527	449.583	JWPLSKZAWBZQSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137630
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)CCC(=C)C)C(=O)OC)c1ccc(OC)cc1	PC-id_57008114	449.583	JWPLSKZAWBZQSU-FPOVZHCZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137631
FC1=CC=Cc2c(C1)cc(s2)C(=O)Nc1sc(cc1C(=O)N)SN1CCCCC1	SCHEMBL19494687	449.585	UDJRCHQLIMOKCN-UHFFFAOYSA-N	00000000100110000110000000000010000000000000000000000000	31-01-137632
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1cccc(c1)OCCCNCC1CC2CC1CC2	SCHEMBL6094170,PC-id_21953027	449.585	ORJMNDDJVSLOHG-UHFFFAOYSA-N	00000010100010110100000000000110000000000000000000000000	31-01-137633
c1(c2CCCCCc2sc1NC(=O)CCS(=O)(=O)c1ccccc1)C(=O)NN(C)C	PC-id_18561016,CoCoCo_5058706,MCULE-8705463590,EMOLS-id_5523587	449.587	RRVFFJWWMCGDTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137634
CCc1c(C)nc(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCCC3)[nH]c1=O	PC-id_135413864,ZINC22_15022373,MCULE-3240893447,TIMTEC407112,EMOLS-id_6828703	449.587	QNVWPOYPLNFURZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-137635
CCc1cc(=O)[nH]c(n1)SC(C)C(=O)Nc1c(c2c(s1)CCCCC2)C(=O)OCC	PC-id_136630456	449.587	CLRHCUIKSOXYMU-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-137636
CCCc1cc(=O)[nH]c(n1)SCC(=O)Nc1c(c2c(s1)CCCCC2)C(=O)OCC	PC-id_135545069	449.587	FTGXTZQTYWRTLB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-137637
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s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1C(=O)N)CC)C(=O)OCC	PC-id_20173763	449.59	WNMCNXCFVXUMNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137712
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccccc1	CoCoCo_2821633,MCULE-8485236721,EMOLS-id_3470443,PC-id_3383187,ZINC22_9632068	449.592	IRJNNDRVKASULE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137713
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCCCCCCCCC2)c1C(=O)OC	EMOLS-id_4136162,TIMTEC115554,MCULE-1925255003,PC-id_4079934	449.603	DAPUUHYIPNHVQJ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-137714
CCCCCC/C/1=C/c2csc(n2)[C@@H](C)[C@H](O)C[C@H](/C=C/C=CC[C@@H](OC1=O)CO)O	PC-id_102585136	449.603	ZBMBRGVUUBGVHV-KJTKLSSFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-137715
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	CoCoCo_5825198,PC-id_28748684,ZINC22_20220621	449.603	DAPUUHYIPNHVQJ-DLBZAZTESA-N	00000000100010000100000000000010000000000000000000000000	31-01-137716
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_20220620,CoCoCo_5825197,PC-id_28748682	449.603	DAPUUHYIPNHVQJ-IAGOWNOFSA-N	00000000100010000100000000000010000000000000000000000000	31-01-137717
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_2754072,CoCoCo_5825199,PC-id_40436293	449.603	DAPUUHYIPNHVQJ-IRXDYDNUSA-N	00000000100010000100000000000010000000000000000000000000	31-01-137718
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_2754073,PC-id_40436295,CoCoCo_5825200	449.603	DAPUUHYIPNHVQJ-SJORKVTESA-N	00000000100010000100000000000010000000000000000000000000	31-01-137719
COC(=O)c1c(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)sc2c1CCCCC2	PC-id_4651864,MCULE-9308094134,ZINC22_13146019,EMOLS-id_43735258	449.603	JOYHLYLKKZGBAR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-137720
COC(=O)c1c(NC(=O)COC(=O)[C@@H]2CC[C@H](CC2)C(C)(C)C)sc2c1CCCCC2	CoCoCo_2959991	449.603	JOYHLYLKKZGBAR-WKILWMFISA-N	00000000100010000100000000000010000000000000000000000000	31-01-137721
COC(=O)c1c(NC(=O)COC(=O)[C@@H]2CC[C@@H](CC2)C(C)(C)C)sc2c1CCCCC2	CoCoCo_2959992	449.603	JOYHLYLKKZGBAR-IYBDPMFKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-137722
c1(NC(=O)CCC(=O)NCC2CCC(CC2)C(=O)OC(C)C)sc2c(CCCCC2)n1	MCULE-9262280758,EMOLS-id_335137598	449.607	VBCVKYQOWRPUKF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137723
c1(NC(=S)NNC(=O)c2cc3c(CCCCC3)s2)sc2c(CCC2)c1C(=O)OC	MCULE-6039371955,EMOLS-id_4136178,PC-id_17376911,TIMTEC275741,CoCoCo_6819335	449.61	KXCZXWMJEGQMES-UHFFFAOYSA-N	00000010100000000100000010000010000000000000000000000000	31-01-137724
N#Cc1c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCCCC2	ZINC22_10186812,EMOLS-id_5605477,PC-id_16800097,MCULE-6155127515,CoCoCo_5174663	449.61	PHZVNYBBILPYGQ-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-137725
s1c2CCCCCc2c(c1NC(=O)C(Sc1scc(n1)CC(=O)OCC)C)C#N	PC-id_24497049	449.61	YDHQPGTVVGWJTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137726
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1sccc1	PC-id_16826364	449.61	PYSLJCXENUNTIY-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-137727
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1sccc1	PC-id_44027179	449.61	JZVVFSHBMLFQPV-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-137728
CSc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)cc1	CoCoCo_1170208,MCULE-8138727757,EMOLS-id_20428279,PC-id_42168953,CoCoCo_1170209,ZINC22_11788418	449.612	HQGMUFAGGKYPMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137729
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC[NH+](CC1)C/C=C/c1ccccc1)C#N	PC-id_30624609	449.631	UDXMAIKJIOAUAU-JXMROGBWSA-O	00000000100010110101000000000010000000000000000000000000	31-01-137730
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC[NH+](CC1)CC=Cc1ccccc1)C#N	PC-id_85468559	449.631	UDXMAIKJIOAUAU-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-137731
CCCc1ccc(S(=O)(=O)N2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)cc1	CoCoCo_3451293,ZINC22_13071808,PC-id_25701133,MCULE-6283337034,EMOLS-id_24158632	449.633	OBNIVQMJIQFBNS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137732
CCCCC(NC(=NCCc1nnc2n1CCCCC2)NCC)CNC(=O)OC(C)(C)C	PC-id_109734647	449.633	OFJTXLMUXPMPAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137733
CCCCC(NC(=NC)NCCCc1nnc2n1CCCCC2)CNC(=O)OC(C)(C)C	PC-id_109734317	449.633	PTGDFBUZRHGGFB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137734
CCNC(=NCc1nnc2n1CCCCC2)N(CCC(C(C)C)NC(=O)OC(C)(C)C)C	PC-id_109412215	449.633	FQWSNYGIYFZENU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137735
CCNC(=NCC(NC(=O)OC(C)(C)C)(CC)CC)NCCc1nnc2n1CCCCC2	PC-id_109556948	449.633	XBJJDIUGIBQYDW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137736
CN=C(NCC(NC(=O)OC(C)(C)C)(CC)CC)NCCCc1nnc2n1CCCCC2	PC-id_109557092	449.633	DWSGWCTZJSMYRW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137737
CCNC(=NCCCc1nnc2n1CCCCC2)N1CCN(CC1)C/C=C/c1ccccc1	PC-id_111218515	449.635	AAOZOQWBMHYDPO-JLHYYAGUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137738
CN=C(NC1CC2CCC(C1)N2Cc1ccccc1)NCCCc1nnc2n1CCCCC2	PC-id_112081211	449.635	YICACBBPGJWRCF-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-137739
CCCC/C(=C/NS(=O)(=O)c1ccc(cc1)C)/c1cc(c2-c1c(ccc(c2)C(C)C)C)C	PC-id_134950723	449.648	WECKOMZNHIMTGH-MOHJPFBDSA-N	00000010100000110110000000000010000000000000000000000000	31-01-137740
s1c2CC(CCc2nc1NC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_19676606	449.653	UAXKDDUZUKWVEC-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-137741
s1c2CC(CCc2nc1NC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC)C	PC-id_19676599	449.653	IHWZVSYWOPYJMK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-137742
s1c2c(CCCCCC2)c(c1NC(=S)Nc1sc2CCCCc2n1)C(=O)OCC	PC-id_19676508	449.653	ZVZDDEICSRSWBO-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-137743
NCC(C1=CC=CC(c2c1oc(c2/C=CC=C(C(=CCC(CC(C)C)(C)C)CC)/C)C)C)C	SCHEMBL19649662	449.711	VRXZPBZJLPXEHF-PIBUQIBLSA-N	00000000100000000110000000000010000000000000000000000000	31-01-137744
Fc1cccc(Cl)c1CN1CCc2nnc(CNS(=O)(=O)c3ccccc3)n2CC1	PC-id_29152049,MCULE-4677680497,EMOLS-id_232730303,ZINC22_20780795	449.929	QQRQUZABAKTWQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137745
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)c(Cl)c2c(c(ccc2)N(=O)=O)s1	EMOLS-id_5971751,MCULE-8976979197,ZINC22_9668734,PC-id_16479237,CoCoCo_6370188	449.931	XJHYRAUVRLPSQT-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-137746
Clc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1OCC(=O)N(CC)CC	PC-id_55611147	449.931	ULUSLJJKFVEGRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137747
C=C(c1c2CCCCC(=Cc3cc(ccc3)Cl)c2n[nH]1)NC(Cc1ccc(cc1)O)CO	PC-id_89244710	449.972	DNDMGEVRPAWCSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137748
OC[C@]1(NC(=O)c2n[nH]c3c2CCCCC3Cc2cccc(c2)Cl)C[C@H]1c1ccccc1	PC-id_143431374	449.972	FERBEYAGLSSSDP-WNKZXDIESA-N	00100000100000110101100000000010000000000000000000000000	31-01-137749
OC[C@@H](NC(=C)c1n[nH]c2c1CCCC/C/2=Cc1cccc(c1)Cl)Cc1ccc(cc1)O	SCHEMBL14089783	449.972	DNDMGEVRPAWCSR-IMEWXKHHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137750
Clc1c(CN2CCn3c(nnc3CC2)[C@H](NC(=O)C2CC[NH+](CC2)C)C)c(F)ccc1	PC-id_28954178	449.973	VLRRUWPEHSIUNS-OAHLLOKOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-137751
Clc1c(CN2CCn3c(nnc3CC2)[C@@H](NC(=O)C2CC[NH+](CC2)C)C)c(F)ccc1	PC-id_28954180	449.973	VLRRUWPEHSIUNS-HNNXBMFYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-137752
Clc1c(CN2CCn3c(nnc3CC2)C(NC(=O)C2CC[NH+](CC2)C)C)c(F)ccc1	PC-id_74575876	449.973	VLRRUWPEHSIUNS-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-137753
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3cc(OC)c(cc3Cl)OC)CCn12	ChEMBL-DNDi_CHEMBL26824393,MCULE-4958467902,PC-id_45929959,EMOLS-id_232724884	449.974	DBBWVVJOFQZAOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137754
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3cc(OC)c(cc3Cl)OC)CCn12	MCULE-3837768612,EMOLS-id_20524045,PC-id_45198938	449.974	PJCPWIPMRJXFJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137755
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cc(OC)c(OC)cc1Cl)CC2)C(C)C	CoCoCo_1306122,CoCoCo_1306121,ZINC22_20785235	449.974	PJCPWIPMRJXFJE-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137756
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1cc(OC)c(OC)cc1Cl)CC2)C(C)C	ZINC22_20785231,CoCoCo_1306123,CoCoCo_1306124	449.974	PJCPWIPMRJXFJE-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137757
Clc1cc2[nH]c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nc2cc1	PC-id_4332625	449.974	KCEHVLDQIIWRNS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-137758
Clc1cn(nc1)Cc1cc(sc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_19494479	449.974	UJZISZBSPJNALL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-137759
COc1cc(Cl)c(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)cc1OC	ZINC22_12038078	449.974	DBBWVVJOFQZAOU-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137760
COc1cc(Cl)c(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)cc1OC	ZINC22_12038083	449.974	DBBWVVJOFQZAOU-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137761
C1CC1CN1CCNc2c(C1=O)n(c(n2)CNCc1cc(ccc1)Cl)Cc1ccccc1	PC-id_134805220	449.976	MXAOXQUPFDKYJJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-137762
c1(c2CCCCCc2sc1NC(=O)C(C)Oc1ccc(cc1C)Cl)C(=O)OC(C)C	TIMTEC515926,EMOLS-id_4136347,SPECS-id_AK-968/11993179,PC-id_4400613,MCULE-8603777317	449.991	VZGGWBVHDFDVAZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137763
c1(NC(=O)CCCOc2ccc(cc2C)Cl)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4156344,TIMTEC252216,SPECS-id_AK-968/13030044,MCULE-2237899760,CoCoCo_5822041,ZINC22_8443723,EMOLS-id_4136337	449.991	JXBGKGPBNJMESQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137764
c1(NC(=O)CCCOc2ccc(cc2C)Cl)sc2c(CCCCCC2)c1C(=O)OC	PC-id_4412882,MCULE-1071054096,ZINC22_2740122,CoCoCo_5816977,TIMTEC123222,EMOLS-id_4136349,SPECS-id_AK-968/12116245	449.991	DJBIBZXSZFSRFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137765
c1(NC(=O)C(C)Oc2ccc(cc2C)Cl)sc2c(CCCCC2)c1C(=O)OCCC	MCULE-5570977104,TIMTEC166217,PC-id_3566748,SPECS-id_AK-968/11841701,EMOLS-id_4136331	449.991	GFDULDDKOPFLTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137766
c1(NC(=O)C(C)Oc2ccc(cc2C)Cl)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC456918,MCULE-8258410668,EMOLS-id_4136339,PC-id_3484169	449.991	SRKSYLMHIMJNBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137767
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2	CoCoCo_5815951,ZINC22_2082084,PC-id_1741333	449.991	VZGGWBVHDFDVAZ-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137768
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2	ZINC22_2082085,PC-id_1741332,CoCoCo_5815952	449.991	VZGGWBVHDFDVAZ-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137769
CCCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCCC2	PC-id_1740622,CoCoCo_5815232,ZINC22_2081273	449.991	GFDULDDKOPFLTP-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137770
CCCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCCC2	ZINC22_2081274,CoCoCo_5815231,PC-id_1740621	449.991	GFDULDDKOPFLTP-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137771
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCCCC2	PC-id_40435701,CoCoCo_1849690,ZINC22_2749062	449.991	SRKSYLMHIMJNBS-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137772
CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCCCC2	ZINC22_2749061,CoCoCo_1849689,PC-id_40435700	449.991	SRKSYLMHIMJNBS-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137773
C[C@]1(COC2=C(N(C=C2S(=O)(=O)N1)C)C(NC3=CC(=C(C=C3)F)C#N)O)[C@H](CC=C)O	PC-id_155062070	450.137	CLQRAPLIJYVWEW-LIXNJBPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137774
CC(C)(CCC1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155257964	450.137	LLHJDIRHPSCIMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137775
CC(C)(CC[C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155258019	450.137	LLHJDIRHPSCIMH-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137776
CC(C)C(C(=O)CC1CN2C=CN=C2CNC(=O)C1=O)NS(=O)(=O)C3=CC=C(C=C3)F	PC-id_148293836	450.137	KXURBWRLGAFLTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137777
CC(C)CCn1c(c(cn1)NC(=O)c1c2N=CCC#Cn2nc1)c1c(ccc(c1)Cl)OC	PC-id_163568170	450.157	FWZHDRLAVDDLKL-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-137778
C1(C)(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)CC1(Br)Br	MCULE-9474670211,PC-id_4301450,EMOLS-id_4136373,TIMTEC290953,SPECS-id_AK-968/15603024	450.189	LOEMXFWCBWGTBP-UHFFFAOYSA-N	00100000100000000100000000000010000000000000000000000000	31-01-137779
C[C@@]1(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)CC1(Br)Br	GD-id_ZINC02759724,PC-id_40437349,ZINC22_2759724,CoCoCo_5827735	450.189	LOEMXFWCBWGTBP-AWEZNQCLSA-N	00100000100000000100000000000010000000000000000000000000	31-01-137780
C[C@]1(C(=O)Nc2sc3c(c2C(=O)N)CCCCC3)CC1(Br)Br	PC-id_40437350,ZINC22_2759725,CoCoCo_5827736	450.189	LOEMXFWCBWGTBP-CQSZACIVSA-N	00100000100000000100000000000010000000000000000000000000	31-01-137781
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CC(C)C(C(=O)CC1CCC2=CSC(=C2)CCNC(=O)C1=O)NC(=O)OCC(C)(C)C	PC-id_153206927	450.219	WKZUXHQQYDGHJB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-137783
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O=C1OC(CN2CCCCC2)n2c(OC1=O)c(c(n2)OCc1ccccc1)Br	PC-id_142757170	450.283	NCQQXSNMINWYKL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137786
CCC(CC)NC(=O)CCCCC(=O)C1(CCCCCC2=C1N=NN2CCCC(=O)C)F	PC-id_161346651	450.301	MTPJSDNBRVOEHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137787
Brc1cc(NC(=O)CCNC(=O)Cn2nc3n(CCCCC3)c2=O)c(cc1)C	PC-id_56266692	450.33	XWMBPEMXWUWEAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137788
Brc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(N2CCOCC2)cc1	PC-id_55582664	450.33	FFRROKFHHMIYOE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137789
C1CN(Cc2cc(nn2C1)C(=O)N)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_86345554,SCHEMBL16099381	450.335	JLXBTSVCDYILHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137790
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)CNc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16094187,PC-id_86345716	450.335	NKTXDBNMSZVSSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137791
O=C(N1CCCn2c(C1)cc(n2)C(=O)O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_117616589,SCHEMBL16129778	450.335	GFTOIXUOLZHJHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137792
Brc1cc(C(=O)NCC(=O)NNC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_24554109	450.349	CRVJETBVQPSIHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137793
CCc1c(Cn2ncc(c2)c2ccc(c(c2)OC(F)F)F)nn2c1OC(=O)CCC(=O)O2	PC-id_140810677	450.368	BGBZLZDYMLXCJD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137794
CC(c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N	PC-id_90464916,SCHEMBL16105035	450.378	WFDOUGVBIJPUBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137795
CN(C(=O)c1nn2CCCNCc2c1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC	PC-id_90455948,SCHEMBL16093880	450.378	CEDKVHHVBIJKSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137796
c1(NC(=O)Cc2ccc(Br)cc2)sc2c(CCCCC2)c1C(=O)OCCC	EMOLS-id_4136523,SPECS-id_AK-968/40733857,CoCoCo_5832778,MCULE-7365206173,ZINC22_2103632,TIMTEC576775,PC-id_1758855	450.389	YPCYXJBCRTVXED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137797
Brc1c(C(=O)NC(C(C)C)C(=O)Nc2sc3CCCCCc3n2)cccc1	PC-id_24603972	450.392	RCNUXUJZUUQRBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137798
c1(NC(=O)CCC(=O)Nc2cc(C)c(cc2Br)C)sc2c(CCCCC2)n1	MCULE-9989756786,EMOLS-id_335089481	450.392	HTKLXDPIUFALQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137799
c1(NC(=O)CCC(=O)Nc2ccc(c(C)c2C)Br)sc2c(CCCCC2)n1	EMOLS-id_335104580,MCULE-4398374037	450.392	ZJJYAQPRYSCHKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137800
c1(NC(=O)CCC(=O)Nc2c(C)cc(c(C)c2)Br)sc2c(CCCCC2)n1	EMOLS-id_335117390,MCULE-4536880036	450.392	WEGCQBOLXCMWHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137801
C1CCc2c(CC1)sc(c2C(=O)Nc1cccc(c1)C(F)(F)F)NC(=O)C(F)(F)F	PC-id_87626845,SCHEMBL4145029	450.398	CAHZZBCCXQNMRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137802
O=C(c1c(sc2c1CCCCC2)NC(=O)C(F)(F)F)Nc1ccc(cc1)C(F)(F)F	SCHEMBL4136619,PC-id_11518047	450.398	PNKMMVOTUMCION-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137803
FC(F)(F)/C(=C(c1n2CCCCCc2nn1)/C#N)/OCC(=O)c1cc(OC)c(OC)cc1	CoCoCo_3758918,PC-id_2348868,CoCoCo_3758921	450.411	CFUTTYXLYHAMIZ-XMHGGMMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-137804
FC(F)(F)/C(=C(/c1n2CCCCCc2nn1)C#N)/OCC(=O)c1cc(OC)c(OC)cc1	CoCoCo_3758919,PC-id_2348869,CoCoCo_3758920	450.411	CFUTTYXLYHAMIZ-RGEXLXHISA-N	00000000100000110101000000000010000000000000000000000000	31-01-137805
FC(F)(F)C(=C(c1n2CCCCCc2nn1)C#N)OCC(=O)c1cc(OC)c(OC)cc1	EMOLS-id_26176058,MCULE-6553165392,PC-id_4127458	450.411	CFUTTYXLYHAMIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137806
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OC([PH2]=O)C)C	SCHEMBL8159924	450.422	FEWIOHSXKBQFJP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137807
CCOC(=O)c1c2-c(ccc(cc2)CC(=O)N(C)OC(C)P=O)c(c1N)C(=O)OCC	PC-id_88257285	450.422	LKBMWRCOSLCPEX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137808
CCOC(=O)c1c(N)c(c2-c1ccc(cc2)CC(=O)N(P(=O)(C)C)OC)C(=O)OCC	SCHEMBL8159923,PC-id_23296732	450.422	NDSDIOLELLUJMK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137809
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)cc1	PC-id_42376509	450.434	REEHSJVHPZVRAT-CQSZACIVSA-O	00000000101000110101000000000010000000000000000000000000	31-01-137810
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)cc1	PC-id_42376511	450.434	REEHSJVHPZVRAT-AWEZNQCLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-137811
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cc1	PC-id_74793111	450.434	REEHSJVHPZVRAT-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-137812
Brc1ccc(NCC(=O)Nc2sc3CCCCCCCCCCc3n2)cc1	PC-id_30377010	450.436	FKKDLPZEHJMSTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137813
CCOC(=O)Oc1c2-c(ccc(cc2)CC(=O)N(C)OCCO)c(c1N)OC(=O)OCC	SCHEMBL7314928,PC-id_88126743	450.439	NNXBGZYOROIXRJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137814
CCOC(=O)Oc1c2-c(ccc(cc2)CC(=O)NOCCCO)c(c1N)OC(=O)OCC	SCHEMBL7302133,PC-id_88125182	450.439	OFBYGKIOMMZFGF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-137815
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(F)c(F)c(F)c(F)c1F)C(=O)OC	PC-id_20413257	450.446	AXGIMRFRDGVCGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137816
CN(Cc1cn2c(n1)C=CC(C#C2)NC(=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)C	PC-id_143003925	450.456	QVKVZTJPBHJJAT-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-137817
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(OC)c(OC(F)F)cc1)C#N	PC-id_40844001	450.456	QFNYXVIROKCFHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137818
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(c(F)cc1)C(F)(F)F	PC-id_60585446	450.471	KKQXKLMPNVZSKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137819
N#Cc1c(NC(=O)CNc2ccccc2C(=O)NCC(F)(F)F)sc2c1CCCCC2	PC-id_42114307,ZINC22_11702297,CoCoCo_4315414,EMOLS-id_18874278,MCULE-6757073065	450.477	AICWDOLPFFWRLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137820
ON1C=Cc2c(C=C1)n(c(c2C(=O)NCc1ccc(c(c1)F)F)C(C)C)Cc1ccccn1	PC-id_143921688	450.48	NVHITWSFMOOGKO-UHFFFAOYSA-N	00000000100000111110000000000010000000000000000000000000	31-01-137821
c12C(=O)N(CCCn1nc(C(=O)Nc1cc(OC)c(c(OC)c1)OC)c2)Cc1ccccc1	EMOLS-id_32632768,PC-id_53086334,MCULE-5884093261	450.487	BDYFONPRRSWQTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137822
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2ccc(OC)cc2OC)CCC3)cc1	EMOLS-id_313764296,ZINC22_1565556387	450.487	GFYLCVLPOYTEKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137823
s1c2CCCCCc2c(c1NC(=O)COc1c([N+](=O)[O-])cc(S(=O)(=O)N)cc1)C#N	PC-id_55528470	450.489	PISYGGURJOJAAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137824
COc1cc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc2c1OCO2	CoCoCo_1217059,EMOLS-id_20462125,MCULE-2640739152,ZINC22_14889092,CoCoCo_1217058,PC-id_26282884	450.49	VUCKBQJGNJQMFT-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-137825
PCc1cc2-c(c1)ccc(Cc1ccc(Cc3ccc4-c(cc(c4)CP)cc3)cc1)cc2	PC-id_21063099	450.491	GRSWVCZNPOFEPF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-137826
PCc1ccc2-c(cc(Cc3ccc(Cc4cc5-c(c4)ccc(cc5)CP)cc3)c2)cc1	PC-id_21063075	450.491	JUUBMNBDIQWCSF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-137827
C1Cn2c(cc(n2)CN2CCOCC2)NC(=O)C1NC(=O)c1nn(cn1)Cc1ccccc1	PC-id_137052840,SCHEMBL18372929	450.494	NKSBDZXUUDNHJA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137828
C1Cn2c(cc(n2)CN2CCOCC2)NC(=O)[C@H]1NC(=O)c1nn(cn1)Cc1ccccc1	PC-id_137052834,SCHEMBL18372825	450.494	NKSBDZXUUDNHJA-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137829
COC1CN(C1)Cc1nn2c(c1)NC(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	PC-id_137052837,SCHEMBL18372849	450.494	HQRQFBXMKOUOPL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-137830
COC1CN(C1)Cc1nn2c(c1)NC(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	PC-id_137052835,SCHEMBL18372828	450.494	HQRQFBXMKOUOPL-SFHVURJKSA-N	00001000100000110101000000000010000000000000000000000000	31-01-137831
COCCN1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20952875,PC-id_86268749	450.497	NKSILXGWRLRZAO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137832
s1c2c(CCCCC2)c(c1NC(=O)CCCNC(=O)c1c(F)cc(F)cc1)C(=O)OC	PC-id_55763164	450.499	WEFBXENPPDBBHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137833
CN1CCC(CC1)C(=O)NC(c1nnc2n1CCN(CC2)Cc1c(F)ccc(c1F)F)C	ChEMBL-DNDi_CHEMBL13413033,PC-id_45165712	450.5	QDMUNNOPLROBLL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137834
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OC(C)C)c2)Cc1ccc(cc1)F	EMOLS-id_16324754,PC-id_20964771,CoCoCo_2544605,MCULE-5224330621	450.505	DBVPYMRGGNTVBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137835
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OC(C)C)c2)Cc1cccc(F)c1	MCULE-1545647469,PC-id_53086372,EMOLS-id_32633060	450.505	CQEVTJDNTUGNNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137836
COc1cccc2cc(/C=C/C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)oc12	CoCoCo_4537941,ZINC22_11579367,PC-id_42042601	450.507	OZNHHXUUMREVMN-ZHACJKMWSA-N	00000000100000100100000001000010000000000000000000000000	31-01-137837
N#Cc1c(NC(=O)COC(=O)/C=Cc2cc3c(o2)c(OC)ccc3)sc2c1CCCCC2	CoCoCo_4537942	450.507	OZNHHXUUMREVMN-KHPPLWFESA-N	00000000100000100100000001000010000000000000000000000000	31-01-137838
N#Cc1c(NC(=O)COC(=O)C=Cc2cc3c(o2)c(OC)ccc3)sc2c1CCCCC2	PC-id_72058711,EMOLS-id_29988734,MCULE-3092993555	450.507	OZNHHXUUMREVMN-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-137839
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1occc1COc1ccccc1)C#N	PC-id_42450466	450.507	NKSHQDZENNNIJF-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-137840
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1oc(COc2ccccc2)cc1)C#N	PC-id_41552615	450.507	JZKFTIGBZSULAK-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-137841
CC(=O)Nc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1	CoCoCo_1217065,CoCoCo_1217066,EMOLS-id_20462135,MCULE-1102387677,ZINC22_14889106,PC-id_26282898	450.509	KOBRGCFOSQWCHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137842
CC(=O)Nc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1	MCULE-4321739995,CoCoCo_1636412,EMOLS-id_20742777,CoCoCo_1636411,PC-id_26399158,ZINC22_15068590	450.509	SAYXPZCLELJCGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137843
Fc1cccc(c1)CC(=O)N1CCn2c(CC1)nnc2C(C(C)C)NC(=O)c1ccccn1	EMOLS-id_20479493,ChEMBL-DNDi_CHEMBL23975328,PC-id_45188826,MCULE-1722764769	450.509	CZPCBPROZVENHT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137844
Fc1cccc(c1)CC(=O)N1CCn2c(CC1)nnc2[C@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1242051	450.509	CZPCBPROZVENHT-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137845
Fc1cccc(c1)CC(=O)N1CCn2c(CC1)nnc2[C@@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1242052	450.509	CZPCBPROZVENHT-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137846
O1c2cc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)COc4ccccc4)C)CC3)ccc2OC1	PC-id_42381217	450.51	OFSIOUOISYSEQS-QGZVFWFLSA-O	00000010100000110101000000001010000000000000000000000000	31-01-137847
O1c2cc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)COc4ccccc4)C)CC3)ccc2OC1	PC-id_42381223	450.51	OFSIOUOISYSEQS-KRWDZBQOSA-O	00000010100000110101000000001010000000000000000000000000	31-01-137848
O1c2cc(C[NH+]3CCn4c(nnc4C(NC(=O)COc4ccccc4)C)CC3)ccc2OC1	PC-id_74793646	450.51	OFSIOUOISYSEQS-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-137849
O=C(c1oc2c(c1)ccnc2)NCc1ccc(cc1)S(=O)(=O)c1cnc2n1CCCCC2	SCHEMBL15531033,PC-id_56943562	450.51	XPERIGWODJZFSV-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-137850
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)N(C(c2ccccc2)C)C(=O)C1=O)C#N	PC-id_55579011	450.51	IYJQHEHGCDLKHY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-137851
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(n2c(c[nH]c2=O)C)cc1)C#N	PC-id_56008805	450.51	WNMHFWSQUOXMEY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137852
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1=NN(C(=O)CC1)c1ccccc1)C#N	PC-id_42966075	450.51	LCCPQGXJHZCQIJ-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-137853
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCc1onc(n1)c1ccccc1)C#N	PC-id_33952897	450.51	UMDKWTQMYAPKFP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137854
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cn2nc3n(c2=O)CCCCC3)CC1	CoCoCo_4479071,PC-id_16343392,MCULE-7171763317,ZINC22_14020383,EMOLS-id_16656615	450.512	BERNOZQTYRMTCL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137855
O=C(c1cnc2c(c1)cn[nH]2)NCc1ccc(cc1)S(=O)(=O)c1cnc2n1CCCCC2	PC-id_68277484,SCHEMBL12468028	450.513	GWAXRTMGMGKVOE-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-137856
O=C(c1cnc2n(c1)ccn2)NCc1ccc(cc1)S(=O)(=O)c1cnc2n1CCCCC2	PC-id_56943154,SCHEMBL12466763	450.513	YYBMXWWAXAKBJL-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-137857
CCN(CCCOc1ccccc2-c1c(C)cc2/C=C/1C(=O)Nc2c1c(F)c(cc2)F)CC	CHEMBL1258830,PC-id_52941548,BindingDB_PC-id_52941548	450.52	XCEMPNUWBSTITL-SILNSSARSA-N	00000010100000100110000000001010000000000000000000000000	31-01-137858
Fc1c2C(=Cc3c4-c(c(c3)C)c(OCCCN(CC)CC)cccc4)C(=O)Nc2ccc1F	PC-id_73952822	450.52	XCEMPNUWBSTITL-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-137859
o1c2[C@H](O)[C@H](C(C)C)CC/C(=C/CCC(Cc1cc2C(=O)OC)(C(=O)OC)C(=O)OC)/C	PC-id_11015823	450.522	ICEAXJMFTKSLKY-RKDMXIHUSA-N	00000000100000000110000000000010000000000000000000000000	31-01-137860
o1c2C(O)C(C(C)C)CCC(=CCCC(Cc1cc2C(=O)OC)(C(=O)OC)C(=O)OC)C	PC-id_85367613	450.522	ICEAXJMFTKSLKY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-137861
c1(C(=O)N2CCN(CC2)C(c2ccc(cc2)F)c2ccc(cc2)F)c2CCCCCc2[nH]n1	EMOLS-id_323248313,MCULE-5618902442	450.524	MLJDJMWXJFPBIU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137862
C=CCOc1ccccc1C[N@H+]1CCc2n(CC1)c(nn2)CNC(=O)Cc1cccc(c1)F	GD-id_ZINC12164447	450.528	NFSOLSWHCNWJDY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137863
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2cc3c(OCC3)cc2)cc1	PC-id_42342582,GD-id_ZINC11997692	450.528	DLCHJDABFNOIQM-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-137864
O=C(NC(C(=O)NC1Cc2coc(n2)CCCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21110329,PC-id_138731169	450.529	ZBHGSZVZAIMFMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137865
O=C(NC(C(=O)NC1CCc2cnoc2CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138730193,SCHEMBL21109344	450.529	IMFBIACVOMFSLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137866
O=C(NC(C(=O)NC1CCc2noc(c2)CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138731231,SCHEMBL21110391	450.529	DUJIOUHFDZYXGW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137867
O=C(NC(C(=O)NC1CCCc2noc(c2)CCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21109825,PC-id_138730668	450.529	UQJOIEUCCDLQEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137868
OCCCN1COCN(c2c(C1=O)n(Cc1ccccc1)c(n2)Oc1cccc(c1)CC)C	SCHEMBL19375272	450.53	UWXNGTGAKZIRHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137869
CC(C(C(=O)NC1Cc2cnc(s2)CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109513,PC-id_138730359	450.532	NYPILJMNTIWGQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137870
CC(C(C(=O)NC1Cc2ncc(s2)CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730998,SCHEMBL21110156	450.532	OUKKUTWKOCUODK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137871
O=C1N(CCc2c(/C/1=C/c1ccncc1)n(COCc1ccccc1)cn2)Cc1ccccc1	PC-id_145973291	450.532	CIJHWNYUCHIZRQ-UQQQWYQISA-N	00000000100000111101000000000010000000000000000000000000	31-01-137872
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3ccc(cc3OC)O)CCn12	EMOLS-id_20498727,PC-id_45193228,MCULE-3889678102	450.533	PYAFLZCLSNQTJB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137873
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc(c(C)c3OC)OC)CCn12	PC-id_45191870,MCULE-5435649611,EMOLS-id_20492795	450.533	OTLITQJOQKSJGJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137874
c1(CN(C)C(=O)Cn2cc(cn2)NC(=O)CCOc2ccccc2)c2CCCCCc2[nH]n1	ZINC22_11789682,CoCoCo_1197930,PC-id_42170356,EMOLS-id_20448315,CoCoCo_1197931,MCULE-2821548572	450.533	BFQQEJGISGQVSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137875
COc1ccc(cc1)CNC(=O)C1=C(NC2CCNC(=O)CC2)Cc2c(N=C1)n(CC)nc2	PC-id_142872817	450.533	JLQSLIVJQHXDDD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-137876
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c(OC)c1C	CoCoCo_1260933,PC-id_29085966,CoCoCo_1260932,ZINC22_20599372	450.533	OTLITQJOQKSJGJ-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137877
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c(OC)c1C	CoCoCo_1260935,ZINC22_20599373,PC-id_29085967,CoCoCo_1260934	450.533	OTLITQJOQKSJGJ-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137878
COc1cc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc(OC)c1	PC-id_28395654,MCULE-2520027558,CoCoCo_1193623,CoCoCo_1193624,ZINC22_19841459,EMOLS-id_20445243	450.533	BHJLXORJBXIZES-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137879
COc1ccc(OC)c(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1	MCULE-8517472948,PC-id_30853055,ChEMBL-DNDi_CHEMBL11663865,ZINC22_23129456,EMOLS-id_20400284,CoCoCo_1132199,CoCoCo_1132200	450.533	MFBPIIWFVZXAMY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137880
COc1cc(O)ccc1CN1CCc2nnc([C@@H](NC(=O)c3ccccn3)C(C)C)n2CC1	ZINC22_12204667,CoCoCo_1269427,PC-id_42462147,CoCoCo_1269428	450.533	PYAFLZCLSNQTJB-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137881
COc1cc(O)ccc1CN1CCc2nnc([C@H](NC(=O)c3ccccn3)C(C)C)n2CC1	ZINC22_12204675,CoCoCo_1269426,PC-id_42462153,CoCoCo_1269425	450.533	PYAFLZCLSNQTJB-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137882
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cn1c2c(c(c1)C(=O)OC)cccc2	PC-id_46449538	450.533	WUGIDHFYZKDEBH-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-137883
n12CCCCCc1nnc2/C(=C/c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1)/C#N	PC-id_27115427	450.538	HRVDXGHUUJSEJR-YHARCJFQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137884
n12CCCCCc1nnc2C(=Cc1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1)C#N	PC-id_74519840	450.538	HRVDXGHUUJSEJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137885
n12CCCCCc1nnc2C(=Cc1ccc(C=C(c2n3CCCCCc3nn2)C#N)cc1)C#N	PC-id_3902415,EMOLS-id_26092905,MCULE-1559590264	450.538	SLRHIDIWLYJMLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137886
n12CCCCCc1nnc2/C(=C/c1ccc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)/C#N	PC-id_5952248,CoCoCo_3456387	450.538	SLRHIDIWLYJMLW-YHARCJFQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137887
n12CCCCCc1nnc2C(=Cc1ccc(/C=C(c2n3CCCCCc3nn2)/C#N)cc1)C#N	PC-id_73673773	450.538	SLRHIDIWLYJMLW-QRTVNLGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137888
N#C/C(=C/c1ccc(cc1)/C=C(/c1nnc2n1CCCCC2)C#N)/c1nnc2n1CCCCC2	CoCoCo_3456388,PC-id_97640465	450.538	SLRHIDIWLYJMLW-KBNZVFGVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137889
N#C/C(=C/c1ccc(cc1)/C=C(c1nnc2n1CCCCC2)/C#N)/c1nnc2n1CCCCC2	CoCoCo_3456389	450.538	SLRHIDIWLYJMLW-BMJUYKDLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137890
CC(C)CN1CCCc2c(C1)c(n[nH]2)C(N1CCC(CC1)c1ccccc1C(F)(F)F)O	PC-id_137455809,SCHEMBL20695077	450.54	BRIXOJIPUFKJRS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-137891
COC(=O)c1c(NC(=O)COC(=O)CNC(=O)C2CCCCC2)sc2c1CCCCC2	ZINC22_9491168,MCULE-4916390506,EMOLS-id_3333863,CoCoCo_2948290,PC-id_3908646	450.548	BXDDIKLPSRXISX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-137892
c1(c2CCCCCc2sc1N=Cc1ccc(C)o1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_4356978,MCULE-2591974288	450.55	YCJVNWSJAIXRDP-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-137893
c1(c2CCCCCc2sc1NC(=O)COc1ccccc1)C(=O)Nc1ccc(cc1)OC	PC-id_1371906,CoCoCo_705798,EMOLS-id_2375131,ZINC22_1218901,MCULE-1055911282	450.55	YVSCVSCEEDHUQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137894
c1(c2CCCCCc2sc1NC(=O)COc1ccccc1)C(=O)Nc1ccccc1OC	ZINC22_1209633,PC-id_1365267,EMOLS-id_1116282,CoCoCo_706545,MCULE-9955067729	450.55	LMOYYHFNFMDCOK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137895
CCOC(=O)c1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2ccc(C)o2)cc1	EMOLS-id_46388769,ZINC22_101309646,CoCoCo_6250565,PC-id_9659094	450.55	YCJVNWSJAIXRDP-CVKSISIWSA-N	00000000101000110100000000000010000000000000000000000000	31-01-137896
CCOC(=O)c1ccc(NC(=O)c2c(/N=Cc3ccc(C)o3)sc3c2CCCCC3)cc1	ZINC22_15945878,TIMTEC565264,CoCoCo_6250566	450.55	YCJVNWSJAIXRDP-YSMPRRRNSA-N	00000000101000110100000000000010000000000000000000000000	31-01-137897
O/N=C/1CCN(S(=O)(=O)c2c1n(C)cc2)CCC[NH+]1CCN(CC1)c1ccc(cc1)F	GLL_PC-id_22065887	450.55	AFECJOLMBQRJRM-FCDQGJHFSA-O	00000000100010110101100000000010000000000000000000000000	31-01-137898
s1c2CCCCCc2cc1C(=O)Nc1c(OC)cc(NC(=O)c2ccccc2)c(OC)c1	PC-id_16331003	450.55	PBPIXWRWSCGNPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137899
S(c1n2c(CCCN(C2)Cc2ccccc2)c(c1C(=O)OC)C(=O)OC)c1ccccc1	PC-id_44542112	450.55	DIIKHTHIXWIWMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137900
O=c1ccc(nc2c1cc(s2)Cc1ccccc1)NC1=CCC=C(C=C1)Oc1ccccc1	PC-id_142217573	450.551	SDFRLDGGDMRYLA-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-137901
s1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(F)cc3)CC2)cc2c1cccc2	PC-id_42375788	450.552	NDHWWRWDXJVYLZ-UHFFFAOYSA-O	00000000100000110101000001000010000000000000000000000000	31-01-137902
O(c1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)cc1)CC	PC-id_42329555	450.553	POMUAFBXBKVINJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137903
O(c1c(cc(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)cc1)C)C	PC-id_42468496	450.553	KRABZLWFTGCJNK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137904
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(cccc3)C)C)CC2)cc(OC)c1)C	PC-id_42379688	450.553	SNIAQUAQEBXCPO-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137905
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(cccc3)C)C)CC2)cc(OC)c1)C	PC-id_42379693	450.553	SNIAQUAQEBXCPO-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137906
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)ccc1O)C	PC-id_42438168	450.553	IOYHZNFMDKPNCH-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137907
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)ccc1O)C	PC-id_42438173	450.553	IOYHZNFMDKPNCH-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137908
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCOC)C)CC2)ccc1)c1ccccc1	PC-id_26401421	450.553	GPDMNBHXPDCFPJ-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-137909
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)ccc1)c1ccccc1	PC-id_26401424	450.553	GPDMNBHXPDCFPJ-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137910
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(cccc3)C)C)CC2)cc(OC)c1)C	PC-id_74793483	450.553	SNIAQUAQEBXCPO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137911
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)ccc1O)C	PC-id_74803533	450.553	IOYHZNFMDKPNCH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137912
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)ccc1)c1ccccc1	PC-id_74503026	450.553	GPDMNBHXPDCFPJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137913
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)cccc1)CC	PC-id_42329448	450.553	LFXRZIHZVWOFAO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137914
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)cccc1OC	PC-id_42369141	450.553	DGGMWZNMGUCMIA-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137915
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)cccc1OC	PC-id_42369149	450.553	DGGMWZNMGUCMIA-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137916
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cccc1OC	PC-id_74799962	450.553	DGGMWZNMGUCMIA-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137917
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1ccc(N2N=C(CC2)C)cc1)C)C#N	PC-id_55998874	450.553	PIAAYGFDWVUHSP-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-137918
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(=O)c1c(n(nc1C)c1ccccc1)C	PC-id_24673809	450.553	QBTINMRCZRKFEB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137919
S(=O)(=O)(N1CC(CCC1)C(=O)NCCc1n2CCCCCc2nn1)c1c(onc1C)C	PC-id_55535986	450.555	NJJXVFLQYVVJJH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137920
S(=O)(=O)(N(CC)CC)c1cn(CC(=O)NCCc2n3CCCCCc3nn2)c(=O)cc1	PC-id_55535555	450.555	QPZIHIABKSVINW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-137921
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(C(=O)C=Cc3cccs3)CCn12	MCULE-9541656263,PC-id_74813765	450.557	JJFFWZHUIKHIBP-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-137922
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)/C=C/c1cccs1)CC2	CoCoCo_1523224,PC-id_42541283,ZINC22_12332799	450.557	JJFFWZHUIKHIBP-MHNQQFQPSA-N	00000000100100101101000000000010000000000000000000000000	31-01-137923
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)/C=C/c1cccs1)CC2	ZINC22_12332803,PC-id_42541288,CoCoCo_1523227	450.557	JJFFWZHUIKHIBP-SHBDEGQCSA-N	00000000100100101101000000000010000000000000000000000000	31-01-137924
CC(C)C(NC(=O)c1ccccn1)c1nnc2CCN(CCn12)C(=O)/C=C/c1cccs1	EMOLS-id_26016323,PC-id_45233085	450.557	JJFFWZHUIKHIBP-CMDGGOBGSA-N	00000000100100101101000000000010000000000000000000000000	31-01-137925
CC([C@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1cccs1)NC(=O)c1ccccn1)C	CoCoCo_1523225	450.557	JJFFWZHUIKHIBP-HEDKFQSOSA-N	00000000100100101101000000000010000000000000000000000000	31-01-137926
Brc1cc2c(noc2c(=O)c(Br)c1)C=Cc1cc2OCOc2cc1	PC-id_76451184	451.066	JBWWRJNAGZFBDU-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-138079
CC([C@@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1cccs1)NC(=O)c1ccccn1)C	CoCoCo_1523226	450.557	JJFFWZHUIKHIBP-GEPASTNRSA-N	00000000100100101101000000000010000000000000000000000000	31-01-137927
CSc1ccc(cc1)C(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	EMOLS-id_20441083,CoCoCo_1188153,MCULE-7716245191,PC-id_42171877,ZINC22_11791094	450.557	RYNCAKVLZBYNQL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137928
S(c1n2CCCCCc2nn1)CC(=O)Nc1n(c(c(c1C#N)C)C)c1ccc(OC)cc1	PC-id_24584700	450.557	MDJPEJHKVXKNQL-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-137929
S(c1ncccc1C(=O)N1CCn2c(nnc2CCNC(=O)c2ccc(cc2)C)CC1)C	PC-id_42398857	450.557	DCUUPGVCDKHUNG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-137930
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c3-c(c(c2)CC)cccc(c3)C(C)C)ccc1	PC-id_72423690	450.567	KVTVOZXAPFHWCB-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-137931
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2c3-c(c(c2)CC)cccc(c3)C(C)C)ccc1	SCHEMBL14590085,PC-id_58786206	450.567	KVTVOZXAPFHWCB-DFLSAPQXSA-N	00000010100010110110100000000010000000000000000000000000	31-01-137932
o1nc(OC(C)C)c2C(=CCCCc12)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	PC-id_44221953	450.568	VHRWJTOLYRNNEP-KRWDZBQOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-137933
o1nc(OC(C)C)c2C(=CCCCc12)CCC(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C	PC-id_74955711	450.568	VHRWJTOLYRNNEP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-137934
O(c1cc2c(C(=Cc3c4-c(cc3)ccccc4)C(=C2/C=C/c2c3-c(cc2)ccccc3)C)cc1)C	PC-id_11155162	450.57	DWFXUJFHIMEYBA-AEHOSBQMSA-N	00000011100000100110000000001010000000000000000000000000	31-01-137935
O(c1cc2c(C(=Cc3c4-c(cc3)ccccc4)C(=C2C=Cc2c3-c(cc2)ccccc3)C)cc1)C	PC-id_85418176	450.57	DWFXUJFHIMEYBA-UHFFFAOYSA-N	00000011100000100110000000001010000000000000000000000000	31-01-137936
[O-]C(=O)c1cc(c2-c1ccc(cc2)C(C)C)CC/C=C/CCNS(=O)(=O)c1ccccc1	GD-id_ZINC13826309	450.57	UIMNNFAOYFSGFZ-ONEGZZNKSA-M	00000010100000110110000000000010000000000000000000000000	31-01-137937
[O-]C(=O)/C=C/c1cc(c2-c1ccc(cc2)C(C)C)CCCCNS(=O)(=O)c1ccccc1	GD-id_ZINC13826302	450.57	OKMNXGXPZHOUBU-DTQAZKPQSA-M	00000010100000110110000000000010000000000000000000000000	31-01-137938
c1(NC(=O)CCCS(=O)(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)N	PC-id_41273802,ZINC22_9913657,MCULE-6020008038,EMOLS-id_32180752	450.572	VQYWDKBZMHYKAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137939
COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1	PC-id_16305071,MCULE-9145343109,EMOLS-id_3603773,ZINC22_9642793,BindingDB_PC-id_16305071,BindingDB-id_126783,CoCoCo_3247040	450.572	BZXFRVYHKUFYBJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137940
COc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1S(=O)(=O)N1CCOCC1	MCULE-7369732555,EMOLS-id_3606257,CoCoCo_3280238,PC-id_16306551,ZINC22_9669627	450.572	LTUQYWXSJQBOHB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-137941
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2c(cc(c(c2)C)C)C)cc1	PC-id_42437080	450.572	MQRZWMNKMWAEHF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-137942
ONC(=O)[C@H]1[C@H](CCC(=C)C)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966478	450.572	RWXNWXWNZPKTEC-UYAOXDASSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137943
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)c(cc1)C	PC-id_16509390	450.572	JOLYSKSYEIUBBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137944
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C	PC-id_16509462	450.572	JVQWGHOJEXFZJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137945
s1c2CCCCCc2cc1C(=O)OCC(=O)NCc1c(S(=O)(=O)N(C)C)cccc1	PC-id_29596273	450.572	YXZGLGOKOKQRRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137946
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)C(=O)OC	PC-id_52598468	450.572	QSQGNMGSGXNEPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137947
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1)C(=O)OC	PC-id_52638625	450.572	WVGALQPLKURXQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137948
s1c2c(CCCCC2)c(c1NC(=O)CN(S(=O)(=O)C)c1c(cccc1)C)C(=O)OC	PC-id_55763132	450.572	ZDKMJZMYLUBQFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137949
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_19678033	450.572	BSCHKOFRBVOVPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137950
s1c2CCCCCCc2cc1C(=O)Nc1sc(c(c1C(=O)OCCOC)C)C(=O)N	PC-id_52467076	450.572	WBDFNRNJPXOUNX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-137951
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1	PC-id_16512663	450.572	AZMAWXTYSNGBAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137952
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1	PC-id_45655418	450.572	SAZYVMOFBPDERN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137953
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCCc1ccc(S(=O)(=O)N)cc1	PC-id_41226484	450.572	PRVDQBAITYRWJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137954
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCC(=C)C)C(=O)NO)c1ccc(OC)cc1	PC-id_54290122	450.572	RWXNWXWNZPKTEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137955
S(=O)(=O)(N1CC(c2c(scc2)CC1C(=O)NO)CCC(=C)C)c1ccc(OC)cc1	PC-id_76634479	450.572	IDXIBXPAAGYAFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-137956
S(=O)(=O)(N1C[C@@H](c2c(scc2)C[C@H]1C(=O)NO)CCC(=C)C)c1ccc(OC)cc1	PC-id_57140214	450.572	IDXIBXPAAGYAFC-KXBFYZLASA-N	00000000100000110100000000000010000000000000000000000000	31-01-137957
O=C1C(CCN(CC)CC)CNCc2[nH]c(c(c12)C)C=C1c2c(NC1=O)cccc2CCO	PC-id_68527496	450.573	GXQDGGBCQRLMHO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-137958
O=C1C(CCN(CC)CC)CNCc2[nH]c(c(c12)C)/C=C
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O=C1N(CCCc2[nH]c(c(c12)C)/C=C
/c2c(NC1=O)cccc2CCO)CCN(CC)CC	PC-id_25114486,SCHEMBL3144311	450.573	XSJWLHOVYBIEER-MNDPQUGUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-137960
O=C1N(CCCc2[nH]c(c(c12)C)C=C1c2c(NC1=O)cccc2CCO)CCN(CC)CC	PC-id_68527724	450.573	XSJWLHOVYBIEER-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-137961
c1(NC(=O)CCC(=O)NCCc2ccc(cc2)S(=O)(=O)N)sc2c(CCCCC2)n1	EMOLS-id_335134531,MCULE-8205451148	450.575	OBUOJKBFBDBNAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137962
Cc1c(cc(cc1)N1CCN(CC1)Cc1ccccc1)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478253	450.575	GWLITPPWKNDVKH-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-137963
Cc1ccc(cc1/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)N1CCN(CC1)Cc1ccccc1	SCHEMBL13076564	450.575	GWLITPPWKNDVKH-JBASAIQMSA-N	00000010100010110111100000000010000000000000000000000000	31-01-137964
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCC1)C	PC-id_75036336	450.575	NHKODMKPZBXGEI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-137965
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCC1)C	PC-id_75036335	450.575	JDDXXTSIDDFAIE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-137966
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCC1)C	CHEBI:96853,PC-id_44506013	450.575	NHKODMKPZBXGEI-ZWOKBUDYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-137967
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCC1)C	CHEBI:97043,PC-id_44506011	450.575	NHKODMKPZBXGEI-MBOZVWFJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-137968
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCC1)C	PC-id_44498140,CHEBI:96799	450.575	NHKODMKPZBXGEI-QKLQHJQFSA-N	00000010100000000101000000000010000000000000000000000000	31-01-137969
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCC1)C	PC-id_44505413,CHEBI:96993	450.575	NHKODMKPZBXGEI-FUHIMQAGSA-N	00000010100000000101000000000010000000000000000000000000	31-01-137970
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCC1)C	PC-id_44505794,CHEBI:113326	450.575	NHKODMKPZBXGEI-ABSDTBQOSA-N	00000010100000000101000000000010000000000000000000000000	31-01-137971
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCC1)C	PC-id_44505795	450.575	NHKODMKPZBXGEI-SQGPQFPESA-N	00000010100000000101000000000010000000000000000000000000	31-01-137972
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCC1)C	PC-id_44505799	450.575	NHKODMKPZBXGEI-HLIPFELVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-137973
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCC1)C	CHEBI:96276,PC-id_44505423	450.575	JDDXXTSIDDFAIE-FUHIMQAGSA-N	00000010100000000101000000000010000000000000000000000000	31-01-137974
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCC1)C	PC-id_44505412	450.575	JDDXXTSIDDFAIE-QKLQHJQFSA-N	00000010100000000101000000000010000000000000000000000000	31-01-137975
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCC1)C	PC-id_71759142	450.575	JDDXXTSIDDFAIE-UWVAXJGDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-137976
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCC1)C	PC-id_71760813	450.575	JDDXXTSIDDFAIE-SQGPQFPESA-N	00000010100000000101000000000010000000000000000000000000	31-01-137977
s1c2CCCCCCc2cc1C(=O)NNC(=O)CSC(C(=O)Nc1noc(c1)C)C	PC-id_55348977	450.575	OAPRQKRYJFUPDE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-137978
s1c2CCCCCCc2nc1NC(=O)[C@@H](NS(=O)(=O)c1ccc(NC(=O)C)cc1)C	PC-id_56022370	450.575	QUHDCZYIJFGFFP-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137979
s1c2CCCCCCc2nc1NC(=O)CN(S(=O)(=O)c1ccc(NC(=O)C)cc1)C	PC-id_56022488	450.575	KVWVNNIQFUYFLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137980
s1c2CCCCCCc2nc1NC(=O)C(NS(=O)(=O)c1ccc(NC(=O)C)cc1)C	PC-id_76294602	450.575	QUHDCZYIJFGFFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137981
c1(NC(=S)NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCCCCC2)c1C#N	STOCK3S-61363,ZINC22_2220170,EMOLS-id_4518204,MCULE-9305097920,PC-id_1852649	450.576	GHKNWBGJBNDAGC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137982
CC(=O)N1CCCN(CC1)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CC1CC1	PC-id_134810895	450.576	SVNAMYZVZLSPQU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-137983
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2ccccc2)c(=O)cc(n1)C)C#N	PC-id_4077263	450.576	XKTQPPIKPKGJPB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-137984
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cccnc1)CC=C)C#N	PC-id_20126875	450.58	LKSJIKUVQBHFFS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-137985
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccncc1)CC=C)C#N	PC-id_20126956	450.58	YOHYXOOWBDSLRR-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-137986
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ncccc1)CC=C)C#N	PC-id_17263733	450.58	RWRLNGOPNKYDFQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-137987
CCOC(=O)C=Cc1cc(c2-c1cc(ccc2)C(C)C)CCS(=O)(=O)c1ccccc1C	PC-id_88490882,SCHEMBL9626782	450.59	ZQYLAWLOWLRIAL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-137988
CCOC(=O)C=Cc1cc(c2-c1cc(ccc2)C(C)C)CCS(=O)(=O)c1ccc(cc1)C	SCHEMBL9626776,PC-id_53832709	450.59	GDOPFTIATVKFST-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-137989
S(=O)(=O)(N1CCCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)c1ccc(F)cc1	PC-id_41769073	450.59	KZQODCDOAJYLQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-137990
c1(NC(=O)CCC(=O)N2CCC(CC2)NC(=O)OC(C)(C)C)sc2c(CCCCC2)n1	MCULE-2022492017,EMOLS-id_334777667	450.595	IUXUCAVZVBAGFO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137991
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(CC(C)C)C(=O)NC1=O)N)CCOC	PC-id_75845597	450.595	UCIJQQAYSIJIRF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137992
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CCOC	PC-id_76228666	450.595	ZBERPTGPTIGEBA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-137993
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C(=O)Nc2ccccc2)CC1	CoCoCo_4240810,PC-id_41142554,CoCoCo_4240809,ZINC22_9605675	450.596	VJIQUTKPYOJNMW-QGZVFWFLSA-N	00000000100010110100000000000010000000000000000000000000	31-01-137994
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C(=O)Nc2ccccc2)CC1	PC-id_41142551,ZINC22_9605671,CoCoCo_4240808,CoCoCo_4240807	450.596	VJIQUTKPYOJNMW-KRWDZBQOSA-N	00000000100010110100000000000010000000000000000000000000	31-01-137995
C/C=NN(C1=Cc2sccc2C(=O)N(C1C(=O)NC1CCCC1)Cc1ccccc1)CC	PC-id_143555508	450.596	SGULJTYFYGXOCL-JZDBNNKSSA-N	00000010100000110110000000000010000000000000000000000000	31-01-137996
N#Cc1c(NC(=O)CCN2CCC(C(=O)Nc3ccccc3)CC2)sc2c1CCCCC2	MCULE-7315522308,CoCoCo_4139757,ZINC22_9501445,CoCoCo_4139756,EMOLS-id_11802708,PC-id_16358178	450.596	UWWFVERGQZNUOI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-137997
N#Cc1c(NC(=O)C(N2CCC(CC2)C(=O)Nc2ccccc2)C)sc2c1CCCCC2	PC-id_16350569,MCULE-9036467666,EMOLS-id_11795545	450.596	VJIQUTKPYOJNMW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-137998
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C(C)C)c1ccoc1	PC-id_74804262	450.596	LEAFFYREVKZLJM-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-137999
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)CC(C)C)c1occc1	PC-id_74784744	450.596	CVDBIRJRVMBSAK-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-138000
O=C(NCCc1n2CC[NH+](CC3=CCC4C(C3C4)(C)C)CCc2nn1)c1ccc(OC)cc1	PC-id_74808326	450.596	UYUBASWUBAPJQD-UHFFFAOYSA-O	00001000100011110101001000000010000000000000000000000000	31-01-138001
O=C(NCCc1n2CC[NH+](CC3=CC[C@@H]4C([C@H]3C4)(C)C)CCc2nn1)c1ccc(OC)cc1	PC-id_42501589	450.596	UYUBASWUBAPJQD-UNMCSNQZSA-O	00001000100011110101001000000010000000000000000000000000	31-01-138002
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C(C)C)c1ccoc1	PC-id_42451642	450.596	LEAFFYREVKZLJM-DEOSSOPVSA-O	00000000101000110101000000000010000000000000000000000000	31-01-138003
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C(C)C)c1ccoc1	PC-id_42451643	450.596	LEAFFYREVKZLJM-XMMPIXPASA-O	00000000101000110101000000000010000000000000000000000000	31-01-138004
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)CC(C)C)c1occc1	PC-id_42238565	450.596	CVDBIRJRVMBSAK-JOCHJYFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-138005
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(cc(c(c1)C)C)C)CC(C)C)c1occc1	PC-id_42238567	450.596	CVDBIRJRVMBSAK-QFIPXVFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-138006
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)c1ccc(cc1)C(=O)C)C#N	PC-id_55354571	450.596	XNVXGRXKZKDJBO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138007
s1c2CCCCCc2c(c1NC(=O)CCN(Cc1ccc(C(=O)NC2CC2)cc1)C)C#N	PC-id_34623962	450.596	PUNNVZUGYPCRIZ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-138008
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)Cc1c(cccc1)C)C#N	PC-id_56312427	450.596	PCWJGASWYOACBI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138009
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)Cc1ccc(cc1)C)C#N	PC-id_56384211	450.596	QHHKUVKASDPKBP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138010
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(cc1)C(=O)C)C#N	PC-id_22197375	450.596	SOOVHKDDPOKTRI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138011
CN(C)S(=O)(=O)c1ccc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc1	EMOLS-id_2885546,PC-id_16232747,CoCoCo_3898675,ZINC22_9126979,MCULE-6633047365	450.598	UAOADLKMQPIFGW-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-138012
c1(NC(=O)C(c2ccccc2)Sc2ccccc2)sc2c(CCCCCC2)c1C(=O)N	PC-id_3564787,TIMTEC411058,MCULE-9160591487,EMOLS-id_4137047,SPECS-id_AK-968/15602012	450.616	QSGOIEHXBGINND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138013
COC(=O)c1ccc(cc1)C[S+]1CC(C)(C)c2c(C(C1)(C)C)nnn2Cc1ccccc1	PC-id_102458126	450.616	FQUYKHVSTNWTFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138014
NC(=O)c1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2	PC-id_40437381,CoCoCo_5827941,ZINC22_2759924	450.616	QSGOIEHXBGINND-QFIPXVFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138015
NC(=O)c1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2	PC-id_40437382,CoCoCo_5827940,ZINC22_2759925	450.616	QSGOIEHXBGINND-JOCHJYFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138016
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(c2ccccc2)cccc1)C(=O)OCC	PC-id_19711830	450.616	XELBJNMYRHLKLX-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-138017
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(Cc2ccccc2)cccc1)C(=O)OC	PC-id_20167958	450.616	DGOJYVVDSINIDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138018
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_19651980	450.616	MGHPJNRPVYVSCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138019
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(c2ccccc2)cccc1)C(=O)OC	PC-id_19711823	450.616	BGIKULBYLXRKGR-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-138021
c1(NC(=O)CSc2nnc(C(C)C)n2CC)sc2c(CCCCCC2)c1C(=O)OC	TIMTEC570583,EMOLS-id_5010283,PC-id_19717100,MCULE-9297475728,ZINC22_13995505,CoCoCo_6848445	450.618	YIDMRBNUGGKKDI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138022
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)C(C)C)C(=O)OC	PC-id_17298643	450.618	KUCVDVQCOXUXTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138023
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)CC)C(=O)OCC	PC-id_19716778	450.618	ADSIELJUALRBST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138024
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)CC)C(=O)OCC	PC-id_19716887	450.618	DANFCDGXROTDQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138025
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)CCC)C(=O)OC	PC-id_19717297	450.618	CZDJWIFXJANRMO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138026
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)CC)C(=O)OCC	PC-id_17297890	450.618	UHRCAVDANSPUSL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138027
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)CC)C(=O)OC	PC-id_19716699	450.618	HUOPTPNDMNNKHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138028
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)CC)C(=O)OC	PC-id_19716815	450.618	FLMFIOODQUCPOP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138029
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1scc(n1)C(=O)OCC	PC-id_30377054	450.618	BAYXHQUJDCEZCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138030
CSc1ccc(cc1)C[N@@H+]1CCc2n(CC1)c(nn2)CCNC(=O)c1ccc(cc1C)C	GD-id_ZINC11788418	450.619	HQGMUFAGGKYPMN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-138031
CCn1ccc2c1C(=NC1CCC(CC1)N1CCOCC1)NC(=CC2)CCc1cn(nc1)C	PC-id_137157862	450.62	FSMJYGGPLWKIGU-UHFFFAOYSA-N	00000000100010000111100000000010000000000000000000000000	31-01-138032
CCn1ccc2c1C(=NC(=CC2)CCc1cnn(c1)C)N[C@@H]1CC[C@H](CC1)N1CCOCC1	SCHEMBL18359328	450.62	FSMJYGGPLWKIGU-RQNOJGIXSA-N	00000000100010000111100000000010000000000000000000000000	31-01-138033
CN(C)c1ccc(/C=C/CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1	ZINC22_11913305,EMOLS-id_26001657,CoCoCo_1309011,PC-id_42277854,CoCoCo_1309009	450.62	CQFDZVWVZOZTCN-VOTSOKGWSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138034
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)Cc1ccc(cc1)N1CCCC1	EMOLS-id_20700427,PC-id_26340557,ZINC22_14985984,CoCoCo_1570909,CoCoCo_1570908,MCULE-3568641725	450.62	MAEQPZWPIRUTCE-UHFFFAOYSA-N	00000010100010110101100000000010000000000000000000000000	31-01-138035
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)CC=Cc1ccc(cc1)N(C)C	PC-id_74787472,MCULE-1846803815	450.62	CQFDZVWVZOZTCN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138036
O=C(C1CCCCC1)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccc(cc1)N(C)C	CoCoCo_1309010,CoCoCo_1309008	450.62	CQFDZVWVZOZTCN-SREVYHEPSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138037
Cc1sc2nc(CSc3ccccc3)nc(NCc3nnc4n3CCCCC4)c2c1C	ZINC22_8848520,MCULE-1363083007,CoCoCo_3842080,EMOLS-id_11981826,PC-id_17556225	450.623	LTSNLXUUBLHHBB-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-138038
CCn1ncc(c1)CN(C(=O)C1CCCCc2c1c(C)sc2C)c1ccc(nc1)C(C)C	PC-id_140052644	450.639	ZECBRDPMKWXBCG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-138039
O=C(Nc1nc2c(s1)CCCCC2)CSCC(=O)Nc1nc2c(s1)CCCCC2	PC-id_112830745	450.641	FKXSVAXAFSQCKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138040
N(Cc1c2-c(c(CNCCCCc3ccccc3)c1)ccccc2)CCCCc1ccccc1	PC-id_85644656	450.658	VFWIWRWWKNUBKA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-138041
s1c2c(CCCCC2)c(c1NC(=S)NC1CCCCCCCCCCC1)C(=O)OC	PC-id_19652532	450.701	OQZDJLKFHPJNMH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-138042
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCC(C(C)(C)C)CC1)C(=O)OCC	PC-id_20179939	450.701	BIXPVXQHYFEIPV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-138043
s1c(NC(=S)NC2CCC(C(CC)(C)C)CC2)c(c2CCCCCc12)C(=O)OCC	PC-id_20180027	450.701	ZLLKQXURVHTIOV-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-138044
s1c(NC(=S)NC2CCC(C(CC)(C)C)CC2)c(c2CCCCCCc12)C(=O)OC	PC-id_20180020	450.701	SFBRBPWLXYBWNU-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-138045
[Si](O[C@H](C[C@H]1[C@@H](c2[nH]c(CCCCCCC1)cc2)C(=O)N(OC)C)C)(CC)(CC)CC	PC-id_73054963	450.73	ODDAYIXDSDZCEY-HFMPRLQTSA-N	00000000100000000100000000000010000000000000000000000000	31-01-138046
C(CCCCCCCCCCc1c2-c(cc1)ccccc2)CCCCCCCCCCCC	PC-id_19815778	450.782	GHUSCUBKEWBSTI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-138047
C(CCCCCCCCCCCC)CCCCCCCCCc1c2-c(cc1)cc(ccc2)C	PC-id_19815712	450.782	AIXVFGDEOUUVSR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-138048
COc1cc(ccc1OCc1ccc(cc1)Cl)C(=O)C(c1nnc2n1CCCCC2)C#N	PC-id_112772623	450.917	FKCSGUKBLDEELK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138049
Clc1ncccc1C(=O)OC(C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_23860315	450.936	QSGVAJITCKJEFA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-138050
Clc1ncccc1C(=O)OC(C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)CC	PC-id_24137387	450.936	BHWBCPNYCKJPGC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-138051
Clc1ncccc1C(=O)OC(C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC)C	PC-id_23744880	450.936	DPSQADKJFGVQRY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-138052
Clc1ncccc1C(=O)OCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_24163708	450.936	CQAWAVZWIPDDAG-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-138053
Clc1nccc(C(=O)OC(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)C)c1	PC-id_24109895	450.936	LZMACOWLBJCXJU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-138054
Clc1nccc(C(=O)OC(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)CC)c1	PC-id_24110178	450.936	OREWORVIQJMLBN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-138055
Clc1nccc(C(=O)OC(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)C)c1	PC-id_23744877	450.936	KCLGSCKQPOVPDP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-138056
Clc1nccc(C(=O)OCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c1	PC-id_23999474	450.936	HPKLPYAFTMSTQR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-138057
CC(C)c1ccc2-c(c(cc2CCCC=NNC(=O)Nc2ccc(cc2)Cl)C(=O)[O-])cc1	PC-id_91934741	450.937	HWTHCFOBIFLCKU-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-138058
Fc1cccc(c1C[N@@H+]1CCn2c(CC1)nnc2CNS(=O)(=O)c1ccccc1)Cl	GD-id_ZINC11996534	450.937	QQRQUZABAKTWQL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-138059
O=C(Nc1ccc(cc1)Cl)N/N=C/CCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	BindingDB_PC-id_91934741,GD-id_ZINC29412954	450.937	HWTHCFOBIFLCKU-MZJWZYIUSA-M	00000010100000110110000000000010000000000000000000000000	31-01-138060
Clc1ccc2c(c1)c(CCNC(=O)C1CN(CCc3n1c(C)nn3)S(=O)(=O)C)c[nH]2	MCULE-7187000403,EMOLS-id_316317973	450.942	CGOBWFKFUXTBGN-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-138061
Clc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C3CC[NH+](CC3)C)C)CC2)c(F)ccc1	PC-id_42190001	450.98	VLRRUWPEHSIUNS-OAHLLOKOSA-P	00000000100010110101000000000010000000000000000000000000	31-01-138062
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C3CC[NH+](CC3)C)C)CC2)c(F)ccc1	PC-id_42190004	450.98	VLRRUWPEHSIUNS-HNNXBMFYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-138063
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)C3CC[NH+](CC3)C)C)CC2)c(F)ccc1	PC-id_74777507	450.98	VLRRUWPEHSIUNS-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-138064
Clc1cc2NC(Nc2cc1)[C@@H](NC(=O)c1sc2C(OC)CN(CCc2c1)C)COC	PC-id_70278911,SCHEMBL8115780	450.982	YOYCTGRJVZXKIC-VXESANQCSA-N	00000010100000100101000000001010000000000000000000000000	31-01-138065
Clc1cc2NC(Nc2cc1)C(NC(=O)c1sc2C(OC)CN(CCc2c1)C)COC	PC-id_77809906	450.982	YOYCTGRJVZXKIC-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-138066
Clc1ccc(C=Nc2sc3c(CCCCCC3)c2C(=O)Nc2cc(cc(c2)C)C)cc1	PC-id_23733816	451.023	ZPQGVUCVKLAFGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138067
Clc1ccc(C=Nc2sc3c(CCCCCC3)c2C(=O)Nc2cc(c(cc2)C)C)cc1	PC-id_23968846	451.023	CRXUCYHBJOEQKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138068
Clc1ccc(C=Nc2sc3c(CCCCCC3)c2C(=O)Nc2c(ccc(c2)C)C)cc1	PC-id_23996865	451.023	LNZHGQDIENXODY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138069
Clc1ccc(C=Nc2sc3c(CCCCCC3)c2C(=O)Nc2c(c(ccc2)C)C)cc1	PC-id_24101840	451.023	DHPVUGZLKJQUBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138070
Clc1c(C=Nc2sc3c(CCCCCC3)c2C(=O)Nc2c(c(ccc2)C)C)cccc1	PC-id_23734075	451.023	POHUTSIAAAEFSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138071
Clc1c(C=Nc2sc3c(CCCCCC3)c2C(=O)Nc2cc(c(cc2)C)C)cccc1	PC-id_23932135	451.023	QMLGYZVJHXHXKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138072
Clc1c(C=Nc2sc3c(CCCCCC3)c2C(=O)Nc2c(ccc(c2)C)C)cccc1	PC-id_24052101	451.023	JDUAAXQLCHWCQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138073
Clc1c(C=Nc2sc3c(CCCCCC3)c2C(=O)Nc2cc(cc(c2)C)C)cccc1	PC-id_24156422	451.023	AXLUUNLHLJFKIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138074
Clc1ccc(C2(O)CCN(CC2)CCCN2CCSc3sc(cc3C2=O)C)cc1	SCHEMBL9042236,PC-id_19881129	451.045	LPEDDXYNSNPNSC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138075
Clc1ccc(CCNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_19649669	451.045	RGBRVGYFFWHRSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138076
Clc1cc(CCNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1	PC-id_19650027	451.045	SHBRPTSUTKZCEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138077
CC(C)C(C(=O)CC1CC2=C(CNC(=O)C1=O)C=NO2)NS(=O)(=O)C3=CC=C(C=C3)F	PC-id_147518494	451.121	FKRRNIJPRLUOEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138080
CC(C)C(C(=O)CC1CC2=C(CNC(=O)C1=O)N=CO2)NS(=O)(=O)C3=CC=C(C=C3)F	PC-id_162076946	451.121	ZBVFLPLFQFRUET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138081
CC(C)C(C(=O)CC1CC2=C(CNC(=O)C1=O)ON=C2)NS(=O)(=O)C3=CC=C(C=C3)F	PC-id_148610441	451.121	NEGPGQRWBXHHKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138082
CC(C)C(C(=O)CC1CN2C(=NC=N2)CNC(=O)C1=O)NS(=O)(=O)C3=CC=C(C=C3)F	PC-id_149012692	451.133	QBVOLOXUINCAIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138083
CC(C)C(C(=O)CC1CN2C=NN=C2CNC(=O)C1=O)NS(=O)(=O)C3=CC=C(C=C3)F	PC-id_161125259	451.133	ULMBTSRIDNKOJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138084
COC1=CC=C(C=C1)OCC(=O)N2CCC3=CC(=NN3CC2)C(=O)N4CCC5=NNN=C5C4	PC-id_153515783	451.197	GVTOTLHACYMTEL-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-138085
Brc1sc(Br)cc1C(=O)CSc1n2CCCCCc2nn1	PC-id_43220105	451.2	OVTWBBKGNOYKBM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-138086
CC(C)C(C(=O)CC1CC2=NSC(=C2)CCCNC(=O)C1=O)NC(=O)OCC(C)(C)C	PC-id_160084705	451.214	OSJRZOYSWRMNLX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138087
CC(C)C(C(=O)CC1CCC2=CC(=NS2)CCNC(=O)C1=O)NC(=O)OCC(C)(C)C	PC-id_153017872	451.214	VBIPOCSGNWMXKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138088
S(=O)(=O)(Oc1ccc2-c(cc1)ccc2C#N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	PC-id_10765996	451.264	TVRWQUDUFMNLNK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-138089
Brc1cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)c(F)cc1	PC-id_26178244	451.309	RPQAXQHRDWRHJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138090
Brc1cc(F)c(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_27981876	451.309	JYBROHCHSUDTGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138091
Brc1ccc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)CC(=O)OC)cc1	PC-id_55571017	451.314	XBHBWOXPDDTONZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138092
Brc1cc(c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)C(=O)OCCC	PC-id_56210992	451.314	NEEKLFUREZHHHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138093
Brc1cc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)CC(=O)OC)ccc1	PC-id_56003545	451.314	JVIZISGNWVQHIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138094
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)COc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_86345670,SCHEMBL16099914	451.32	JAQLGLMXLLLQJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138095
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16099623,PC-id_86345924	451.32	FXMPNJXQNLWFMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138096
C1CN(CCn2c1ncc2C(=O)O)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16099251,PC-id_86345882	451.32	NUPZYLZDXZMZIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138097
OC(=O)C1CN(Cc2n(C1)ncc2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16129750,PC-id_117616561	451.32	XBPUHWXDGDWANS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138098
Brc1ccc(C(=O)NNC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_16509417	451.334	QKBXOUMWSUQBHI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138099
C1CCC(C1)NC(=O)c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16099581,PC-id_86345835	451.346	WZKNARKKCQDWAE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138100
C1CCN(CC1)C(=O)c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)Cl	PC-id_86345796,SCHEMBL16100053	451.346	KKGVSEOPHRUYRO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138101
Clc1cc(C(=O)C2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1Cl	PC-id_55955746	451.346	SXFHJTYXFIYFKS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138102
CCCCCOC(=O)c1c2-c(c(c1OCC)C(=O)OCCC)cc(ccc2)Br	PC-id_141346805	451.351	OKZNPNZMFDWVHZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-138103
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)OC(F)(F)F)C(=O)OCC	PC-id_3115544	451.356	OYLPMBZLDZBGAJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-138104
CC(c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)O	SCHEMBL16100389,PC-id_90461034	451.363	OXRCQAHNQVHXJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138105
COCc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90463208,SCHEMBL16103123	451.363	MYNBCEHRTXYJMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138106
Brc1ccc(OC(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)(C)C)cc1	PC-id_30308717	451.377	YVQHLACYRBZFCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138107
BrCC(=O)Nc1sc2c(CCCCC2)c1C(=O)Nc1c(OCC)cccc1	CoCoCo_6388725,PC-id_4333485	451.377	YIAAJJMKJGQSLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138108
Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c(Br)c1	PC-id_20166093,ZINC22_32125442	451.377	NHGVUETWYIRPGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138109
Fc1ccc(cc1)Cc1nnc([nH]1)C(=O)NC1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL19659017	451.378	PGJMSFXCZSPNJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138110
Fc1ccc(cc1)Cc1nnc([nH]1)C(=O)N[C@@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18372648	451.378	PGJMSFXCZSPNJV-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138111
Fc1ccc(cc1)Cc1nnc([nH]1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18372649	451.378	PGJMSFXCZSPNJV-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138112
Fc1cccc(c1)Cn1cnc(n1)C(=O)NC1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	PC-id_140316546	451.378	PJXMRSNCQURBGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138113
Fc1ccc(cc1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18366881	451.378	XFKXWQPKIVFXMI-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138114
Fc1ccc(cc1)Cn1cnc(n1)C(=O)N[C@@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18366883	451.378	XFKXWQPKIVFXMI-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138115
Fc1cccc(c1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18366891	451.378	PJXMRSNCQURBGQ-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138116
Fc1cccc(c1)Cn1cnc(n1)C(=O)N[C@@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18366894	451.378	PJXMRSNCQURBGQ-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138117
O=C1[C@@H](CCn2c(N1C)cc(n2)C(F)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18366889	451.378	GGFOEBWOZAEMHI-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138118
O=C1[C@H](CCn2c(N1C)cc(n2)C(F)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18366893	451.378	GGFOEBWOZAEMHI-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138119
Brc1ccc(c(c1)C)NC(=O)CN(C(=O)Nc1nc2c(s1)CCCCC2)C	PC-id_112825169	451.381	IMWQUGDSMWHYSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138120
s1c(nc(c2cc(OC)c(OC)cc2)c1)Cc1n2c(nn1)CCCCC2.Br	CHEMBL1494816	451.381	AUARSFSJPMIDBA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138121
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccco1)Nc1sc2c(CCCCC2)c1C#N	CoCoCo_1743477,EMOLS-id_4406724,STOCK1S-75197,MCULE-8732411927,ZINC22_2050127,SPECS-id_AG-389/14050023,PC-id_1716554	451.386	PMPQTTZUQJXVOP-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-138122
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(N2CCCCC2)C)cc(c1)Cl	PC-id_117616553,SCHEMBL16129742	451.389	CXUYWRYXMQZDMY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138123
FC(=C)c1sc(c(c1Br)C)CNCCCNc1[nH]c2c(n1)C=CC=CCC2	PC-id_142992284	451.399	QBNZTQKONRYYLQ-UHFFFAOYSA-N	00000000100100000111000000000010000000000000000000000000	31-01-138124
Brc1cc(c2scc(n2)CSc2n3CCCCCc3nn2)c(OC)cc1	PC-id_16541832	451.404	NYWOTSUGXCXTFE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138125
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCCn1nc(cc1C)C(F)(F)F	PC-id_19523741	451.409	OQAMHGOKLQIBJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138126
NC[C@@H](NC(=O)c1sc2c(c1)/C(=C(Cl)/C)/N(CCC2)N=C)Cc1cccc(c1)Cl	SCHEMBL21206458,PC-id_139355485	451.412	LOOYFSCVCROGDN-UOEVCUDDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138127
NCC(NC(=O)c1sc2c(c1)/C(=C(Cl)/C)/N(CCC2)N=C)Cc1cccc(c1)Cl	PC-id_139355456,SCHEMBL21206425	451.412	LOOYFSCVCROGDN-DEDYPNTBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138128
Brc1ccc(OCC(=O)Nc2sc3CCCCCCCCCCc3n2)cc1	PC-id_30377179	451.42	UFLRJYFGEZKHSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138129
Cn1c2c(CCCC(=C2N=C(N)OS(=O)(=O)C(F)(F)F)C=C)c(n1)C(=O)N(C)OC	SCHEMBL12698430,PC-id_88951316	451.421	JGDJSLVYYODPPO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-138130
FC(F)(F)c1cccc(CC(=O)N2CCc3nnc(CNC(=O)C4CCOC4)n3CC2)c1	PC-id_45190982,MCULE-7433527099,EMOLS-id_20488803	451.442	MLSNZUSZFVYCHU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138131
FC(F)(F)c1cc(C(=O)N2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55746945	451.442	CTWZBCMKJMPJJS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138132
O=C(NCc1nnc2n1CCN(C(=O)Cc1cccc(C(F)(F)F)c1)CC2)[C@@H]1CCOC1	PC-id_42331514,ZINC22_11982183,CoCoCo_1255171	451.442	MLSNZUSZFVYCHU-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138133
O=C(NCc1nnc2n1CCN(C(=O)Cc1cccc(C(F)(F)F)c1)CC2)[C@H]1CCOC1	PC-id_42331518,ZINC22_11982190,CoCoCo_1255172	451.442	MLSNZUSZFVYCHU-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138134
C1(C(F)(F)F)(C(=O)NC(=N1)c1ccccc1)Nc1sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_2478896,MCULE-4159600120,PC-id_2962161	451.462	HMTLUUALBJQKLC-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-138135
C1Cn2ccnc2CN(C1Cc1ccccc1)S(=O)(=O)c1ccccc1OC(F)(F)F	PC-id_89555613	451.462	ILQZTKWQLHLABX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138136
COC(=O)c1c(N[C@@]2(C(F)(F)F)N=C(c3ccccc3)NC2=O)sc2c1CCCCC2	CoCoCo_1016793,PC-id_2217093,ZINC22_20406673	451.462	HMTLUUALBJQKLC-FQEVSTJZSA-N	00000011100000110101100000000010000000000000000000000000	31-01-138137
COC(=O)c1c(N[C@]2(C(F)(F)F)N=C(c3ccccc3)NC2=O)sc2c1CCCCC2	ZINC22_20406675,CoCoCo_1016794,PC-id_2217091	451.462	HMTLUUALBJQKLC-HXUWFJFHSA-N	00000011100000110101100000000010000000000000000000000000	31-01-138138
FC(Oc1ccccc1S(=O)(=O)N1Cc2nccn2CC[C@H]1Cc1ccccc1)(F)F	SCHEMBL14933997	451.462	ILQZTKWQLHLABX-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138139
Fc1ccc(F)c(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)c1F	CoCoCo_1244226,CoCoCo_1244227,PC-id_28956763,EMOLS-id_20480967,ZINC22_20454048,MCULE-2210149318	451.465	TUBHDFAYRGGOON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138140
s1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)ncc1Cc1cc(ccc1)C(F)(F)F	PC-id_55569787	451.465	UGMBDOGCKIZQSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138141
FC1=CC=CC(=C(C1)Nc1nc2c(n1C)C=CC(=CC2)Oc1ccnc(c1)C(=O)N(C)C)F	PC-id_142815558	451.469	UWGUMPKKUCAIKC-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-138142
CC(C(C(=O)NC1Cc2nccn2CNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21109377,PC-id_138730225	451.472	WROCDTHTRINOBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138143
CC(C(C(=O)NC1Cc2nc[nH]c2CNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21109342,PC-id_138730191	451.472	BCSBQZDSDQNKPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138144
CC(C(C(=O)NC1Cn2ccnc2CNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138730945,SCHEMBL21110103	451.472	RJNQZUNSRDXWDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138145
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(CCn12)C(=O)c1ccc2c(OCO2)c1	MCULE-8510449447,EMOLS-id_20663747,PC-id_45231730	451.475	DCLKQASOVDDYFK-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-138146
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)CC2	CoCoCo_1514860,ZINC22_12079418	451.475	DCLKQASOVDDYFK-FQEVSTJZSA-N	00000010101000100101000000001010000000000000000000000000	31-01-138147
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)c1ccc3c(c1)OCO3)CC2	ZINC22_12079417,CoCoCo_1514859	451.475	DCLKQASOVDDYFK-HXUWFJFHSA-N	00000010101000100101000000001010000000000000000000000000	31-01-138148
CCOC(=O)c1ccc(cc1)c1ccc(cn1)C(N1CCOc2n(CC1)cc(n2)[N+](=O)[O-])C	PC-id_89580204,SCHEMBL14965828	451.475	BXQZIABSOIFUDH-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-138149
COc1ccc(cc1)CNC(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89580050,SCHEMBL14965611	451.475	DMQQYDDLOGDEQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138150
COc1cccc(c1)CNC(=O)c1ccc(cc1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_71570741,SCHEMBL14966045	451.475	KVSFKEZPFIZUFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138151
O=C(NCCc1n2CCCCCc2nn1)c1c(Oc2ccc(OC)cc2)ccc([N+](=O)[O-])c1	PC-id_55651980	451.475	CDTWMQSJQPLKQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138152
COc1ccc(COC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1	PC-id_118394543,SCHEMBL17112983,BindingDB-id_913876	451.478	VRACARYEVTZMOE-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-138153
CC1=C(c2nn(c(c2C(CN1)(C)C)C(F)(F)F)Cc1ccc(cc1)OC)C(=O)OC(C)C	SCHEMBL19659388,PC-id_137250401	451.482	ITEGLVVBODTFPX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-138154
FC(F)(F)c1ccccc1CN1CCc2nnc(CCNC(=O)C3CCOCC3)n2CC1	CoCoCo_1286109,CoCoCo_1286108,EMOLS-id_20510331,ZINC22_20776368,PC-id_29150413,MCULE-9487634026	451.485	UDQRFLHNIRJNGN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138155
FC(F)(F)c1cc(CN2CCC(NC(=O)Cn3nc4n(CCCCC4)c3=O)CC2)ccc1	PC-id_55946652	451.485	XBLVAJVHRXDCSL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138156
FC(F)(F)COCc1ccc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_46513560	451.485	DHDMTKJDURDMQD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138157
N#Cc1c(NC(=O)COC(=O)c2cc(S(=O)(=O)N)ccc2F)sc2c1CCCCC2	PC-id_24374987,EMOLS-id_27350535,CoCoCo_3097470,MCULE-3650919747,ZINC22_23593550	451.492	VLJGUSNRGWJZNP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138158
COC(=O)c1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1	PC-id_29210021,MCULE-8851106278,CoCoCo_1313530,CoCoCo_1313529,ZINC22_20907097,EMOLS-id_20529247	451.493	BCCADOPURWPHIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138159
COC(=O)c1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1	CoCoCo_1444079,EMOLS-id_20617355,ZINC22_14960404,MCULE-7007313419,CoCoCo_1444080,PC-id_26321998	451.493	FMNNFRAWUFFPKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138160
Fc1ccc(/C=C/C(=O)N2CCn3c(nnc3CC2)C(NC(=O)c2ccoc2)C(C)C)cc1	PC-id_45166788	451.493	JYQWKGPMRHJHIV-VMPITWQZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138161
Fc1ccc(C=CC(=O)N2CCn3c(nnc3CC2)C(NC(=O)c2ccoc2)C(C)C)cc1	PC-id_75098698	451.493	JYQWKGPMRHJHIV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138162
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4ccc5OCOc5c4)CCn23)cc1	CoCoCo_1255174,ZINC22_11982196,CoCoCo_1255173,MCULE-7038030794,ChEMBL-DNDi_CHEMBL25698398,PC-id_42331523,EMOLS-id_20488805	451.493	VBJSGAKLEJZKLM-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-138163
Fc1ccc(C(=O)Nc2ccc(C(NC(=O)Cn3nc4n(CCCCC4)c3=O)C)cc2)cc1	PC-id_55915532	451.493	NVOPEIGMJNUCND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138164
C[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	PC-id_2457606,ZINC22_3341217,CoCoCo_2991948	451.495	LNPCIGDAILLAGC-ZDUSSCGKSA-N	00000010100000100100000000001010000000000000000000000000	31-01-138165
C[C@H](C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	PC-id_2457608,CoCoCo_2991947,ZINC22_3341219	451.495	LNPCIGDAILLAGC-CYBMUJFWSA-N	00000010100000100100000000001010000000000000000000000000	31-01-138166
N#Cc1c(NC(=O)COC(=O)C(N2C(=O)c3c(C2=O)cccc3)C)sc2c1CCCCC2	PC-id_5040550,EMOLS-id_43748033,MCULE-8723267658	451.495	LNPCIGDAILLAGC-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-138167
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C#N	PC-id_42985537	451.495	LPOJOWMMJUZMRG-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-138168
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCN1C(=O)c2c(C1=O)cccc2)C#N	PC-id_3568488	451.495	KHAPQIUKFZMFHD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-138169
O=C1CCCc2c(N1)cc(s2)C(=O)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F	SCHEMBL8916053,PC-id_21471804	451.505	IOTDJMQSVAATQV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138170
s1c2CCCCCc2nc1NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F	PC-id_25541832	451.505	ZQHAXPSLZSFZKQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138171
CC=C(C=CCC(=C)C1CCCCn2c1nc(n2)Nc1cc(c(cc1)n1c(ncn1)C)F)F	PC-id_91371144	451.515	DFRVKBFTGCHQBB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138172
ONC(=O)CC(C(=O)NCC(=O)c1c[nH]c2c1C=CC=CC2)CCCc1cccc(c1)OC	PC-id_141912078	451.515	YRTJUOZQOVHQAW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-138173
S(=O)(=O)(NC1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)c1ccc(F)cc1	PC-id_55655235	451.515	XXAWVTWEYQZOST-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138174
CCOC(=O)CNC(=O)c1cc2n(n1)CCCC[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C	PC-id_102529963	451.517	ZNRBTEMTPNQPCL-KBPBESRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138175
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)C)cc([N+](=O)[O-])c1	PC-id_56086729	451.517	TVSNIDUOJOTGIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138176
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc4c(OCO4)c3)CCn12	PC-id_45179462,MCULE-6857800993,EMOLS-id_20439013	451.518	AKHDYQMFXCFVCN-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-138177
c1(C(CC(C)C)NC(=O)C)nnc2CCN(CCn12)C(=O)c1ccc(Oc2ccccc2)o1	PC-id_45218303,MCULE-1023076539,EMOLS-id_20607197	451.518	FRSLDBFTUJXQMH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138178
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(CCn12)C(=O)c1cc2c(cccc2)o1	PC-id_45221571,EMOLS-id_20621069,MCULE-9849950774	451.518	PFQDLHGBMAENDI-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-138179
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(c(OC)c3)O)CCn12	MCULE-2982434890,PC-id_45187810,EMOLS-id_232720160	451.518	DBVQEHFVRYGVKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138180
c1(CN(c2ccc(cc2OC)OC)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	EMOLS-id_5571340,PC-id_18573745,CoCoCo_5142780,MCULE-5674783939,ZINC22_9712811	451.518	PKFIMHFLMMNTCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138181
c1(CN(c2ccc(cc2OC)OC)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	ZINC22_9712809,CoCoCo_5142779,MCULE-1320374815,PC-id_18573744,EMOLS-id_5571338	451.518	WOTGYFLMLAVBTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138182
c1(CN(c2ccc(c(OC)c2)OC)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	MCULE-1005655594,EMOLS-id_5571354,ZINC22_9712821,PC-id_18573751,ChEMBL-DNDi_CHEMBLF2559-0423,CoCoCo_5142791	451.518	HNVMBIOETCRSJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138183
c1(CN(c2ccc(c(OC)c2)OC)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	EMOLS-id_5571352,MCULE-3401898923,ZINC22_9712819,CoCoCo_5142790,ChEMBL-DNDi_CHEMBLF2559-0422,PC-id_18573750	451.518	RSXXQJWAOKBYAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138184
c1(C(=O)N2CCN(CC2)C(=O)c2cc3c(c(OC)ccc3OC)[nH]2)c2CCCCCc2[nH]n1	MCULE-8951590923,EMOLS-id_323254970	451.518	ZGXPLYXUOOQYIZ-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-138185
c1(nnc2CCCCCn12)N(Cc1ccc(cc1OC)OC)C(=O)Nc1cccc(OC)c1	MCULE-2616848119,ZINC22_16769858,PC-id_4752737	451.518	AXQLNAQKTDXHFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138186
c1(nnc2CCCCCn12)N(Cc1ccc(c(OC)c1)OC)C(=O)Nc1ccc(cc1)OC	PC-id_4752753,ZINC22_16769874,MCULE-9430903051	451.518	LQXCPCNQERSJES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138187
c1(nnc2CCCCCn12)N(Cc1ccc(c(OC)c1)OC)C(=O)Nc1cccc(OC)c1	PC-id_4752752,ZINC22_16769872,MCULE-2774160974	451.518	LHILNPRKZNMBHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138188
CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	CoCoCo_1185248,PC-id_42459076,ZINC22_12199835,CoCoCo_1185247	451.518	AKHDYQMFXCFVCN-GOSISDBHSA-N	00000010101000100101000000001010000000000000000000000000	31-01-138189
CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	ZINC22_12199844,CoCoCo_1185249,PC-id_42459085,CoCoCo_1185250	451.518	AKHDYQMFXCFVCN-SFHVURJKSA-N	00000010101000100101000000001010000000000000000000000000	31-01-138190
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)c1cc3ccccc3o1)CC2	CoCoCo_1449668,ZINC22_12048980	451.518	PFQDLHGBMAENDI-LAUBAEHRSA-N	00000010100000100101000001000010000000000000000000000000	31-01-138191
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)c1cc3ccccc3o1)CC2	CoCoCo_1449669,ZINC22_12048974	451.518	PFQDLHGBMAENDI-DYESRHJHSA-N	00000010100000100101000001000010000000000000000000000000	31-01-138192
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)c1cc3ccccc3o1)CC2	CoCoCo_1449670,ZINC22_12048977	451.518	PFQDLHGBMAENDI-UTKZUKDTSA-N	00000010100000100101000001000010000000000000000000000000	31-01-138193
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)c1cc3ccccc3o1)CC2	ZINC22_12048983,CoCoCo_1449667	451.518	PFQDLHGBMAENDI-UWJYYQICSA-N	00000010100000100101000001000010000000000000000000000000	31-01-138194
CC(CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1)Cc1ccc2OCOc2c1	PC-id_45246583,MCULE-1596096308,EMOLS-id_20724525	451.518	FHBKWZWYFUAPHQ-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-138195
C=CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3ccc(COC)o3)n2CC1	CoCoCo_1231980,EMOLS-id_20472445,MCULE-1304860485,CoCoCo_1231981,ChEMBL-DNDi_CHEMBL22704644,ZINC22_11814653,PC-id_42191214	451.518	KITUGHTXUHMPOA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138196
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	PC-id_26355240,ZINC22_14999479,CoCoCo_1608180,CoCoCo_1608182	451.518	FHBKWZWYFUAPHQ-KRWDZBQOSA-N	00000010101000100101000000001010000000000000000000000000	31-01-138197
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	ZINC22_14999476,PC-id_26355237,CoCoCo_1608181,CoCoCo_1608183	451.518	FHBKWZWYFUAPHQ-QGZVFWFLSA-N	00000010101000100101000000001010000000000000000000000000	31-01-138198
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C(=O)c1ccc(Oc3ccccc3)o1)CC2	ZINC22_14952134	451.518	FRSLDBFTUJXQMH-LJQANCHMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138199
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)c1ccc(Oc3ccccc3)o1)CC2	ZINC22_14952140	451.518	FRSLDBFTUJXQMH-IBGZPJMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-138200
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cccc(OC)c3O)CCn12	PC-id_26342951,CoCoCo_1370709,CoCoCo_1370708,MCULE-7700350488,ZINC22_14988417,EMOLS-id_20568447	451.518	KHHCVJBDJBJCSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138201
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cc(OC)ccc3O)CCn12	ChEMBL-DNDi_CHEMBL20637342,CoCoCo_1214521,PC-id_26281787,ZINC22_14887796,CoCoCo_1214520,MCULE-2249596500,EMOLS-id_20460267	451.518	MHRSXVGZPXMBSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138202
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(O)c(OC)c2)CC3)c1	CoCoCo_1235695,ZINC22_11816196,CoCoCo_1235696	451.518	DBVQEHFVRYGVKS-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138203
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(O)c(OC)c2)CC3)c1	CoCoCo_1235698,CoCoCo_1235697,ZINC22_11816194	451.518	DBVQEHFVRYGVKS-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138204
COc1ccc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)c(O)c1	MCULE-3531113825,PC-id_45192434,EMOLS-id_20495291	451.518	XMAAEGHWVIRMBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138205
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c(O)c1	CoCoCo_1264451,PC-id_42369871,ZINC22_12038721,CoCoCo_1264452	451.518	XMAAEGHWVIRMBL-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138206
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c(O)c1	CoCoCo_1264454,CoCoCo_1264453,ZINC22_12038724,PC-id_42369875	451.518	XMAAEGHWVIRMBL-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138207
COc1ccc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)cc1OC	EMOLS-id_20429379,CoCoCo_1171748,MCULE-3220160340,PC-id_28389396,ZINC22_19836180,CoCoCo_1171749	451.518	OGKCCTPISXDECG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138208
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(OC)cc2OC)c1	CoCoCo_6602339,ZINC22_28527968,PC-id_16458834,MCULE-8922457612	451.518	SVSCGGADONVEQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138209
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(OC)cc2OC)cc1	PC-id_16458817,CoCoCo_6602284,ZINC22_28527937,MCULE-2556318449	451.518	FIMOXAYJNVFHPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138210
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(OC)c(OC)c2)cc1	PC-id_16458910,ZINC22_28534700,MCULE-4049062620,CoCoCo_6602514	451.518	QSXPJSVLHDJCSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138211
COc1cc(OC)c(OC)cc1CN1CCc2nnc(CNC(=O)c3ccccc3)n2CC1	MCULE-9263741255,CoCoCo_1169255,CoCoCo_1169256,ZINC22_19835576,EMOLS-id_20427603,PC-id_28388690	451.518	KFDMWMWRQIAXIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138212
COCc1ccc(C(=O)NCc2nnc3n2CCN(C/C=C/c2ccccc2OC)CC3)o1	ChEMBL-DNDi_CHEMBL19607114,PC-id_26278881,ZINC22_14882943,EMOLS-id_44851697	451.518	BVMACBYORSLZIV-FNORWQNLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138213
n12CCN(CCc1nnc2CNC(=O)c1ccc(COC)o1)CC=Cc1ccccc1OC	PC-id_74494177,MCULE-3248879688	451.518	BVMACBYORSLZIV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138214
O1CCN(C(=O)C2N(CCC2)C(=O)c2nn3c(c2)C(=O)N(CCC3)Cc2ccccc2)CC1	PC-id_46049585	451.518	CTGMCPSCGOUMFB-UHFFFAOYSA-N	00000010100010110101000000000010000000000000000000000000	31-01-138215
O=c1n2CCCCCc2nn1CC(=O)NC(c1cc(OC)c(OCc2ccncc2)cc1)C	PC-id_55807032	451.518	PVMOXHWYIVWQJY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-138216
O=C1N(CCCc2[nH]c(c(c12)C)/C=C
/c2c(NC1=O)ccc(NC(=O)CO)c2)CCN(C)C	SCHEMBL3138768,PC-id_25115605	451.518	ZDOWDTZCIYMLAR-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-138217
O=C1N(CCCc2[nH]c(c(c12)C)C=C1c2c(NC1=O)ccc(NC(=O)CO)c2)CCN(C)C	SCHEMBL3138770,PC-id_68525827	451.518	ZDOWDTZCIYMLAR-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-138218
CC(C(C(=O)NC1Cc2nnc(s2)CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730667,SCHEMBL21109823	451.52	OYNUZHMZKICMOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138219
COc1ccc(c2ccc(Cn3ccc4c3C(=O)NCC/C/4=NNc3ccccn3)cc2)cc1	BindingDB_PC-id_53357981,CHEMBL1796995	451.52	QRFGQFHWADPGFK-BGABXYSRSA-N	00000000100000111100100000000010000000000000000000000000	31-01-138220
O=C1NCCC(=NNc2ncccc2)c2c1n(Cc1ccc(cc1)c1ccc(OC)cc1)cc2	PC-id_53357981	451.52	QRFGQFHWADPGFK-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-138221
O=C1NC(=NCc2n(CCO)cnc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_10789773	451.52	GEAHBVDDXHQDBJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-138222
O=C1NC(=O)N(C(N)C1N(CCOC)C(=O)Cn1nc2n(CCCCC2)c1=O)CC(C)C	PC-id_76238801	451.52	CBXRFEDEILDBEO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-138223
o1nc(nc1C(N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)C)c1ccccc1	PC-id_55682932	451.521	XOEVXLWHPSKPSI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138224
Fc1ccc(Cn2nc(C=CC(=O)NC3C4CC(C3C(=O)O)CC4)c3c2CCCCC3)cc1	PC-id_77580181	451.533	ZCERUXKGMDXNIF-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-138225
Fc1ccc(Cn2nc(C=CC(=O)N[C@@H]3C4CC([C@@H]3C(=O)O)CC4)c3c2CCCCC3)cc1	PC-id_68958574,SCHEMBL4213990	451.533	ZCERUXKGMDXNIF-QNXMCKPUSA-N	00000010100010110101000000000110000000000000000000000000	31-01-138226
Fc1ccc(Cn2nc(/C=C/C(=O)N[C@@H]3C4CC([C@@H]3C(=O)O)CC4)c3c2CCCCC3)cc1	SCHEMBL4213986,PC-id_68958573	451.533	ZCERUXKGMDXNIF-DKHHGABLSA-N	00000010100010110101000000000110000000000000000000000000	31-01-138227
c1(NC(=S)NNC(=O)COc2ccccc2F)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_6837884,TIMTEC124185,EMOLS-id_4137763,MCULE-2887749086,PC-id_17378750	451.535	DKDLCQMAOBRJBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138228
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])ccc1F)C(=O)OCC	PC-id_20413178	451.535	OOJZBFLUIHPMQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138229
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc([N+](=O)[O-])c(F)cc1)C(=O)OCC	PC-id_20411740	451.535	ZXVWRLJKIZOIRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138230
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(F)cc1)C(=O)OCC	PC-id_19687415	451.535	LXJQDPAIYFVGIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138231
CCOc1ccccc1CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1	MCULE-4367270103,CoCoCo_1334712,EMOLS-id_20543925,PC-id_29219956,ZINC22_20920290,CoCoCo_1334713	451.536	UBZCYHBEFBFEDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138232
CCOc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1	ZINC22_20784152,EMOLS-id_20522371,CoCoCo_1303765,PC-id_29153521,MCULE-6366419517,ChEMBL-DNDi_CHEMBL32418293,CoCoCo_1303766	451.536	MWRYSFJQEQRMAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138233
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)c(C)c1C	PC-id_29152348,MCULE-5032035933,ZINC22_20781468,CoCoCo_1296983,CoCoCo_1296982,EMOLS-id_20517825	451.536	URLKWBUTEBZZOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138234
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1OC)CC(=O)[O-]	PC-id_52689743	451.536	SXQQKBURFHSQHP-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-138235
COc1cccc(NC(=O)COc2ccc(C(=O)Nc3nc4c(s3)CCCCC4)cc2)c1	EMOLS-id_44038008,MCULE-2923206181,CoCoCo_4546099,PC-id_24611781,ZINC22_12828665	451.538	UPSPYHUDGYCVON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138236
N#Cc1c(NC(=O)COC(=O)C2CC(=O)N(C2)Cc2ccccc2)sc2c1CCCCC2	EMOLS-id_43691852,MCULE-4797585737,PC-id_16265978	451.538	CNZRQSGRPMDWBB-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-138237
N#Cc1c(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)sc2c1CCCCC2	CoCoCo_2826270,ZINC22_9634383,PC-id_41153438	451.538	CNZRQSGRPMDWBB-QGZVFWFLSA-N	00000010100000110100000000000010000000000000000000000000	31-01-138238
N#Cc1c(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)sc2c1CCCCC2	ZINC22_13062998,CoCoCo_2826269,PC-id_25695050	451.538	CNZRQSGRPMDWBB-KRWDZBQOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-138239
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1)C#N	PC-id_30811798	451.538	GUEQBECSMDJMNJ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-138240
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(CN2CCCC2=O)ccc1)C#N	PC-id_25690392	451.538	RHVLVQOTWQQHOR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-138241
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)c2occc2)c(cc1)C	PC-id_24409817	451.538	RQYMGEIFQFXMSB-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-138242
S(=O)(=O)(NCCC(=O)NCCc1n2CCCCCc2nn1)c1cc(OC)c(OC)cc1	PC-id_55534930	451.54	DWXMPIHCGZPTPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138243
COCc1ccc(o1)C(=O)NCc1nnc2n1CCN(CC2)Cc1cc2c(s1)cccc2	ChEMBL-DNDi_CHEMBL34299524	451.541	JGMZOXBCGNECBB-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-138244
O(c1cc(C[NH+]2CCn3c(nnc3CNC(=O)CCc3cccnc3)CC2)cc(OC)c1)C	PC-id_42172226	451.541	BHJLXORJBXIZES-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-138245
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)C)CC2)ccc(OC)c1C)C	PC-id_42367273	451.541	OTLITQJOQKSJGJ-QGZVFWFLSA-O	00000000100000111101000000000010000000000000000000000000	31-01-138246
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)C)CC2)ccc(OC)c1C)C	PC-id_42367276	451.541	OTLITQJOQKSJGJ-KRWDZBQOSA-O	00000000100000111101000000000010000000000000000000000000	31-01-138247
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ncccc3)C(C)C)CC2)ccc(O)c1)C	PC-id_42462146	451.541	PYAFLZCLSNQTJB-QFIPXVFZSA-O	00000000100000111101000000000010000000000000000000000000	31-01-138248
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3ncccc3)C(C)C)CC2)ccc(O)c1)C	PC-id_42462152	451.541	PYAFLZCLSNQTJB-JOCHJYFZSA-O	00000000100000111101000000000010000000000000000000000000	31-01-138249
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)ccc(OC)c1C)C	PC-id_74799753	451.541	OTLITQJOQKSJGJ-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-138250
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3ncccc3)C(C)C)CC2)ccc(O)c1)C	PC-id_74805549	451.541	PYAFLZCLSNQTJB-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-138251
s1c2c(CCCCC2)c(c1NC(=O)CCc1c(n2ncc(c2nc1C)C#N)C)C(=O)OC	PC-id_52638590	451.541	JCEZMZMDXWIXPZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-138252
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c2c(n(nc2C)C)nc(c1)C)C)C#N	PC-id_55553722	451.541	XAWHXTCNUXUNCZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-138253
OCC1(CCN(CC1)C(=O)c1cc2c(s1)CCCCC2)Cc1cccc(c1)C(F)(F)F	PC-id_25281248,CoCoCo_1314018	451.545	CZYHQQGMXXJNLD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-138254
S(=O)(=O)(/N=C/C=C/C=C/c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)C(F)(F)F	PC-id_42604812	451.545	YRAPISRDZAHTGF-UCZCBZFKSA-N	00000010100000000110000000000010000000000000000000000000	31-01-138255
S(=O)(=O)(N=CC=CC=Cc1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)C(F)(F)F	PC-id_74817908	451.545	YRAPISRDZAHTGF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-138256
O=C1N(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)CCCc2c1ccs2	PC-id_19881046,SCHEMBL9038221	451.548	ILWVJKQARORWET-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138257
O1C(C(O)C(O)C(O)C1CO)c1c(N(CC)CC)ccc(c1)Cc1cc2-c(c1)ccccc2	PC-id_72423604	451.555	RRRGWPZUIPCZML-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138258
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(N(CC)CC)ccc(c1)Cc1cc2-c(c1)ccccc2	PC-id_58786110,SCHEMBL14590149	451.555	RRRGWPZUIPCZML-SEFGFODJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138259
s1c2c(CCCCC2)c(c1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1)C(=O)OC	PC-id_41323889	451.556	QHMQZLOIHAGUPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138260
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_44009299	451.556	MZDNQOWEYFEZBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138261
CCOC(=O)OC1C2CCC(C1NC(=O)c1nn(c3c1CCCCC3)Cc1ccccc1)C2	PC-id_66647672,SCHEMBL300723	451.558	BSPAAZDKOYYUTB-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-138262
CCOC(=O)O[C@@H]1C2CCC([C@@H]1NC(=O)c1nn(c3c1CCCCC3)Cc1ccccc1)C2	PC-id_66647443,SCHEMBL300338	451.558	BSPAAZDKOYYUTB-IDMMRLHFSA-N	00000010100010110101000000000110000000000000000000000000	31-01-138263
CCOC(=O)O[C@H]1C2CCC([C@H]1NC(=O)c1nn(c3c1CCCCC3)Cc1ccccc1)C2	PC-id_66647637,SCHEMBL300679	451.558	BSPAAZDKOYYUTB-CZUXCOCKSA-N	00000010100010110101000000000110000000000000000000000000	31-01-138264
COc1ccc(cc1)C(=O)C1CCN(CC1)CCCCn1ccc2c1C(=O)N(C)CCC2=O	SCHEMBL9039618,PC-id_19937364	451.558	CUPWVCYNSAUPPG-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-138265
c1(NC(=O)CCC(=O)Nc2c(O)ccc(c2)S(=O)(=O)CC)sc2c(CCCCC2)n1	EMOLS-id_335143745,MCULE-4445174508	451.56	JEMJQKGPWUEBDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138266
COc1ccc(cc1NC(=O)C)S(=O)(=O)NNC(=O)c1sc2c(c1)CCCCCC2	CoCoCo_3535389,PC-id_25598502,MCULE-3168603144,EMOLS-id_15284554	451.56	IZGJVXBYEQWEQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138267
COc1ccc(cc1)S(=O)(=O)NCCC(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3430047,MCULE-5350954329,EMOLS-id_13562580,PC-id_22108168	451.56	ORJCBWBTCKQRIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138268
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)CCS(=O)(=O)C)c1	ZINC22_2055713833,EMOLS-id_313728981	451.56	PPTDDGYQQCCLEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138269
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)CCS(=O)(=O)C)cc1	EMOLS-id_313790519,ZINC22_2055785669	451.56	YEJQUYPQDRQQES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138270
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C	PC-id_24554144	451.56	ZLHBTDNQZOJXBF-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138271
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)C	PC-id_74295189	451.56	ZLHBTDNQZOJXBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138272
s1c2CCCCCCc2cc1C(=O)NCCNc1c([N+](=O)[O-])cc(S(=O)(=O)C)cc1	PC-id_27336304	451.56	XXGLZMFGWIWKMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138273
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(OC)C)cc1	PC-id_26287330	451.56	DTFGVAMUUJQCOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138274
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[nH]c(=O)cc(O)n1)C(=O)OCC	PC-id_23775437	451.56	BCGAWHUXIFTLCR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-138275
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3ccccc3OCC)CCn12	PC-id_45192868,MCULE-7549552684,EMOLS-id_20497215,ChEMBL-DNDi_CHEMBL27280757	451.561	BUACNXXSSFPFFM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138276
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(cc3)c3ccco3)CCn12	EMOLS-id_20515229,PC-id_45196962,MCULE-1639740680	451.561	MJVOSPQATQXVMS-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-138277
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccc(c(C)c3C)OC)CCn12	MCULE-2781434263,PC-id_45182060,EMOLS-id_20450381	451.561	URIUKDCLGFGAQS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138278
C1N(CCC1)C(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1ccc(cc1)C)C2=O	EMOLS-id_25387612,MCULE-1449538935,PC-id_46049702	451.561	QBRPLRCOVSSCMH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138279
S(=O)(=O)(NCCC=CCCc1c2-c(c(c1)C(=O)O)ccc(C(C)C)cc2)c1ccccc1	PC-id_54355001	451.578	UIMNNFAOYFSGFZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-138335
C1N(CCC1)C(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1c(C)cccc1)C2=O	MCULE-3809492436,PC-id_46049781,EMOLS-id_25387646	451.561	ZOFZPUGIZQWIKD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138280
C1N(CCC1)C(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O	MCULE-9502242598,EMOLS-id_25387666,PC-id_46049751	451.561	ZQAFGTXPHQPLSA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138281
c1(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccccc2)sc2c(CCCCC2)c1C#N	CoCoCo_5152941,PC-id_16799818,ZINC22_9714746,EMOLS-id_5582276,MCULE-7627159534	451.561	KSDDSYLAXDLTOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138282
c1(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccccc2)sc2c(CCCCC2)c1C#N	EMOLS-id_5582430,MCULE-9081734007,PC-id_16799823,CoCoCo_5153045,ZINC22_9714897	451.561	HVJGBYRDLBIYPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138283
C1(NC(=O)CCNC(=O)c2cc3n(n2)CCCN(Cc2ccc(cc2)C)C3=O)CCCCC1	PC-id_46049991,EMOLS-id_25388956,MCULE-5594275572	451.561	YYBBIFNVFKGTLL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138284
C1(NC(=O)C(C)NC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)CCCCC1	EMOLS-id_25387812,MCULE-2016104723,PC-id_46050003	451.561	JPCTUTLPXFDQSF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138285
CC(C)CNC(=O)C1CCCCN1C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-3939127234,EMOLS-id_25386824,PC-id_46049462	451.561	WREKCVDGZLQVDZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138286
CC(CCNC(=O)C1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_46049583,MCULE-5101662431,EMOLS-id_25387310	451.561	HQLUWVDVAGWECO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138287
CC(CCNC(=O)[C@@H]1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332250	451.561	HQLUWVDVAGWECO-NRFANRHFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138288
CC(CCNC(=O)[C@H]1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332251	451.561	HQLUWVDVAGWECO-OAQYLSRUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138289
CC(CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NC1CC1)C	PC-id_46049918,EMOLS-id_25388556,MCULE-5240117310	451.561	NNJMRYLLHVEXJI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-138290
CC(CNC(=O)[C@@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93331918	451.561	WREKCVDGZLQVDZ-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138291
CC(CNC(=O)[C@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93331919	451.561	WREKCVDGZLQVDZ-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138292
CCN(CCC(=O)NCC1CC1)C(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	MCULE-5166488679,EMOLS-id_25388428,PC-id_46049700	451.561	JMRUAIXBDFIVDV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-138293
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1C)CCC(=O)NCC1CC1	EMOLS-id_25388462,PC-id_46049779,MCULE-9494741856	451.561	FUXHTNKJLVFQDC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-138294
CCOc1ccccc1CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1	CoCoCo_1267233,CoCoCo_1267234,PC-id_29087113,ZINC22_20600200	451.561	BUACNXXSSFPFFM-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138295
CCOc1ccccc1CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1	CoCoCo_1267236,ZINC22_20600201,PC-id_29087114,CoCoCo_1267235	451.561	BUACNXXSSFPFFM-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138296
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(CCC(C)c3ccc(C)o3)CCn12	EMOLS-id_20740183,MCULE-2440562081,PC-id_45250478	451.561	QGJSAVULIGYDCT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138297
COc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1C	CoCoCo_1200858,PC-id_26277423,CoCoCo_1200857,ZINC22_14881765	451.561	URIUKDCLGFGAQS-HSZRJFAPSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138298
COc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1C	PC-id_26277421,ZINC22_14881764,CoCoCo_1200859,CoCoCo_1200860	451.561	URIUKDCLGFGAQS-QHCPKHFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138299
COc1ccc(C(=O)NCCc2nnc3n2CCN(CC[C@@H](C)c2ccc(C)o2)CC3)cc1	CoCoCo_1632323,PC-id_26397270,ZINC22_15067138,CoCoCo_1632325	451.561	QGJSAVULIGYDCT-GOSISDBHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138300
COc1ccc(C(=O)NCCc2nnc3n2CCN(CC[C@H](C)c2ccc(C)o2)CC3)cc1	CoCoCo_1632324,CoCoCo_1632322,ZINC22_15067140,PC-id_26397274	451.561	QGJSAVULIGYDCT-SFHVURJKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138301
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(c3ccco3)cc1)CC2	CoCoCo_1293286,PC-id_42344222,ZINC22_11999174,CoCoCo_1293287	451.561	MJVOSPQATQXVMS-NRFANRHFSA-N	00000000101000110101100000000010000000000000000000000000	31-01-138302
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(c3ccco3)cc1)CC2	PC-id_42344224,CoCoCo_1293284,CoCoCo_1293285,ZINC22_11999177	451.561	MJVOSPQATQXVMS-OAQYLSRUSA-N	00000000101000110101100000000010000000000000000000000000	31-01-138303
O=C(CCc1ccc(cc1C)C(=O)N1CC(=C)Nc2c(C1)cnn2C)OCC1CCNCC1	PC-id_143188758	451.561	SYFBKFCJRZELRX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138304
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)NC1CCCCC1	PC-id_93332426	451.561	JPCTUTLPXFDQSF-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138305
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)NC1CCCCC1	PC-id_93332427	451.561	JPCTUTLPXFDQSF-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138306
O=C(N1CCC(CC1)C)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_42854969	451.561	LARVDMLCHNIOHY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138307
O=C(N1CCC(CC1)C)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)C	PC-id_42854986	451.561	RWLDGCWQQBAUOD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138308
O=C(N(C1CC1)CCC(=O)NCC(C)C)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049950	451.561	DDLUJGOGVBRPDV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-138309
O=C(NC1CCCCC1)CN(C(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_42855131	451.561	JYSVLRQDVJNNQA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138310
O=C(NC1CCCCC1)C(NC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_46159995	451.561	OOPWUNPBEGQTBN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138311
O=C(NC1CCCCC1)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_42855084	451.561	SRQVAVQOUYYEEA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138312
O=C(NC1CCCCC1)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)C	PC-id_42855105	451.561	ARZNIVQMHOXWNI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138313
O=C(NC1CCCCC1)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_46159976	451.561	OWCFROSWNBPKSN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138314
O=C(NCC1CC1)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)CC	PC-id_46049750	451.561	IIMRLTSSIALPRJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-138315
O=C(NCC(C)C)C1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049472	451.561	LQNVPTHOARLHDE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138316
O=C(NC(CC)C)C1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049477	451.561	MLEAEULBHRMJIH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138317
O=C(NC(CC)C)C1N(CCCC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_42854936	451.561	QQYATFPNUGFBKF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138318
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1sc(nc1C)c1ccccc1)C#N	PC-id_27747074	451.561	OQKVPRAMHTWJBH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138319
Cc1c(cc(cc1)N1CCN(CC1)Cc1ccccn1)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478303	451.563	OLBGSBPTPKDEMY-UHFFFAOYSA-N	00000010100010111111100000000010000000000000000000000000	31-01-138320
Cc1c(cc(cc1)N1CCN(CC1)Cc1ccncc1)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478315	451.563	WNAXDCNOGOBVRX-UHFFFAOYSA-N	00000010100010111111100000000010000000000000000000000000	31-01-138321
Cc1ccc(cc1/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)N1CCN(CC1)Cc1ccccn1	SCHEMBL13077141	451.563	OLBGSBPTPKDEMY-MWAVMZGNSA-N	00000010100010111111100000000010000000000000000000000000	31-01-138322
Cc1ccc(cc1/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)N1CCN(CC1)Cc1ccncc1	SCHEMBL13077155	451.563	WNAXDCNOGOBVRX-MWAVMZGNSA-N	00000010100010111111100000000010000000000000000000000000	31-01-138323
n12CCN(CCc1nnc2CNC(=O)c1ccccc1)CC(c1ccccc1)c1ccccc1	PC-id_42372909,MCULE-7948787060,CoCoCo_1269031,EMOLS-id_20498471,ZINC22_12042060,CoCoCo_1269030	451.563	ZBAPKZHGFWJAQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138324
n12CCN(CCc1nnc2CNC(=O)Cc1ccccc1)Cc1ccc(cc1)c1ccccc1	CoCoCo_1221459,ZINC22_11783144,EMOLS-id_20465281,MCULE-4298358455,PC-id_42163143,CoCoCo_1221460	451.563	QSBVARXUAXVPES-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138325
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Sc1nnc2n1CCCCC2	EMOLS-id_44013394,ZINC22_40019892,CoCoCo_4402837,MCULE-5258282567,PC-id_45861303	451.563	AJSFNQPSDIAUIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138326
S(c1n2CCCCCc2nn1)CC(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)NC	PC-id_29512761	451.563	DIHVDZDUDJRRTH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-138327
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)Cn1c2c(n(c1=O)CCC)cccc2	PC-id_46692003	451.565	HLXRTTZWBWHHCP-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-138328
O=C(N1CCN(CC1)CC(=O)N1CCc2c1cccc2)NCCc1nnc2n1CCCCC2	PC-id_112834922	451.565	VQGPDTSKSBIRLX-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-138329
CC(C)c1ccc2-c(c(cc2CC/C=C/CCNS(=O)(=O)c2ccccc2)C(=O)O)cc1	PC-id_44379524,CHEMBL354734	451.578	UIMNNFAOYFSGFZ-ONEGZZNKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-138330
CC(C)c1ccc2-c(c(cc2/C=C/C(=O)O)CCCCNS(=O)(=O)c2ccccc2)cc1	SCHEMBL9626951,CHEMBL441057,PC-id_10389122	451.578	OKMNXGXPZHOUBU-DTQAZKPQSA-N	00000010100000110110000000000010000000000000000000000000	31-01-138331
OC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CC/C=CCCNS(=O)(=O)c1ccccc1	PC-id_101649683	451.578	UIMNNFAOYFSGFZ-ARJAWSKDSA-N	00000010100000110110000000000010000000000000000000000000	31-01-138332
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCCc2n1)c1c(F)cccc1	PC-id_56022231	451.578	KPYDGCCTPXBUBH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138333
S(=O)(=O)(NCCCCc1c2-c(c(c1)C=CC(=O)O)ccc(C(C)C)cc2)c1ccccc1	PC-id_54155114	451.578	OKMNXGXPZHOUBU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-138334
CC1(C)[C@H]2CC=C(CN3CCc4nnc(CCNC(=O)Cc5ccc(F)cc5)n4CC3)[C@@H]1C2	CoCoCo_1263843,MCULE-7089087493,PC-id_42369344,ZINC22_12038153,CoCoCo_1263842,ChEMBL-DNDi_CHEMBL26837564,EMOLS-id_25998373	451.579	QPTRQBACDUIVIV-UNMCSNQZSA-N	00001000100011110101001000000010000000000000000000000000	31-01-138336
Fc1ccc(CC(=O)NCCc2n3CCN(CC4=CCC5C(C4C5)(C)C)CCc3nn2)cc1	PC-id_74799985	451.579	QPTRQBACDUIVIV-UHFFFAOYSA-N	00001000100011110101001000000010000000000000000000000000	31-01-138337
O=C(Cc1ccc(cc1)F)NCCc1nnc2n1CCN(CC2)CC1=CC[C@@H]2C[C@H]1C2(C)C	CoCoCo_1263840,CoCoCo_1263841	451.579	QPTRQBACDUIVIV-IFMALSPDSA-N	00001000100011110101001000000010000000000000000000000000	31-01-138338
O=C(NC(C(=O)NC1CCc2csc(c2)CCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138731179,SCHEMBL21110339	451.58	XKUZJJDLUMNVKS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-138339
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)/C=C/c1ccccc1	PC-id_24411978	451.581	CPBRVYOCENZENO-VAWYXSNFSA-N	00000000100010110100000000000010000000000000000000000000	31-01-138340
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)C=Cc1ccccc1	PC-id_74271491	451.581	CPBRVYOCENZENO-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-138341
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(c(C)c3OC)OC)CCn12	PC-id_45206367,MCULE-7061181032,ChEMBL-DNDi_CHEMBL39852522,EMOLS-id_20556463	451.583	NVOLDTFOZHVARE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138342
CNc1ccc(c(c1)C)NC1=C(C=c2c(=C(C1)F)ncn2CCCN1CCNCC1)C(=C)N	SCHEMBL19141468	451.583	WFWATAJZGPSEJV-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-138343
COc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c(OC)c1C	CoCoCo_1353114,ZINC22_20998328,CoCoCo_1353115,PC-id_29257789	451.583	NVOLDTFOZHVARE-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138344
COc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c(OC)c1C	PC-id_29257788,CoCoCo_1353117,CoCoCo_1353116,ZINC22_20998326	451.583	NVOLDTFOZHVARE-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-138345
COc1ccc(cc1)CCNC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCNCC1	PC-id_89125855	451.584	MNWUCAZFABMHRJ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-138346
COc1ccc(cc1)CCN/C/1=N/Cc2cc(sc2/C=CC/C=N1)C(=O)N1CCNCC1	SCHEMBL13591837	451.584	MNWUCAZFABMHRJ-FGLWWPGUSA-N	00000000100010110111000000000010000000000000000000000000	31-01-138347
N#Cc1c(NC(=O)CCN2CCN(CC2)C(=O)Nc2ccccc2)sc2c1CCCCC2	EMOLS-id_317273535,PC-id_17557531,MCULE-4734568843	451.584	MPFXVNIELCPPLS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138348
s1c2c(CCCCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)Nc1nccc(c1)C)C#N	PC-id_55816719	451.584	TWBLANICDXZCOT-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-138349
s1c(CCCC(=O)Nc2cc(C(=O)NCCc3n4CCCCCc4nn3)ccc2)ccc1	PC-id_52722803	451.584	CILIEIPNWSUTHQ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-138350
s1c(NC(=O)c2ccc(C(C)C)cc2)c(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_52714660	451.584	MFJULOBXJZASDB-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-138351
s1c2CCCCCc2c(c1NC(=O)C(Sc1sc(nn1)NC(=O)OCC)C)C#N	PC-id_55640125	451.586	CEKCUZYUHZFIEB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138352
S(CC(=O)N(C1C(N(CCC)C(=O)NC1=O)N)CCCC)c1n2CCCCCc2nn1	PC-id_73250384	451.586	WRYLCMUENISUAY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-138353
CCCCCCCCC1(CCCCCCCC)COc2c(OC1)c([nH]c2C(=O)O)C(=O)O	SCHEMBL182582,PC-id_11080889	451.596	UVILGBTWYUNTQV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138354
CCCCCCCCC1(CCCCCCCC)COOc2c(C1)c([nH]c2C(=O)O)C(=O)O	SCHEMBL182581,PC-id_22672945	451.596	LQUNXQQWZMCCJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138355
CCCCCCCCCCCCn1c(C(=O)OCC)c2c(c1C(=O)OCC)OCCCO2	PC-id_102291097	451.596	FNLSUNLURXGJHO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138356
COC(=O)[C@H]1[C@H](CCC(C)C)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966449	451.599	NMFAXFWYDGTFPS-TZIWHRDSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138357
S(=O)(=O)(N1C(C(CCC(C)C)c2c(scc2)CC1)C(=O)OC)c1ccc(OC)cc1	PC-id_76472074	451.599	NMFAXFWYDGTFPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138358
S(=O)(=O)(N1[C@@H]([C@@H](CCC(C)C)c2c(scc2)CC1)C(=O)OC)c1ccc(OC)cc1	PC-id_57051372	451.599	NMFAXFWYDGTFPS-FPOVZHCZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138359
c1(NC(=O)C(c2ccccc2)Sc2ccccc2)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_4137923,SPECS-id_AK-968/11993361,PC-id_4657109,MCULE-6034143147,TIMTEC285535	451.601	LICLKZQBQLIYJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138360
CC1CCCC(C1NCCCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)C	PC-id_21953064,SCHEMBL6096168	451.601	VIMPPCVFMGJHFT-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-138361
COC(=O)c1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCC2	CoCoCo_6791411,ZINC22_2082090,PC-id_1741338	451.601	LICLKZQBQLIYJR-QFIPXVFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138362
COC(=O)c1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCC2	PC-id_1741337,CoCoCo_6791410,ZINC22_2082089	451.601	LICLKZQBQLIYJR-JOCHJYFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138363
Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc3c(s2)CCCCCC3)CC1	PC-id_41361888,EMOLS-id_30238513,ZINC22_10094565,MCULE-1780796834	451.603	WHYWSWABTSVRHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138364
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)C(=O)C1OCCC1)C(=O)OC	PC-id_20180968	451.603	AJKPAWQMGSXFMW-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-138365
s1c2CCCCCCc2nc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC	PC-id_56021472	451.603	MXLKGCGEWDJYDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138366
c1(NC(=O)CCC(=O)Nc2ccccc2Sc2ccccc2)sc2c(CCCCC2)n1	MCULE-3189967459,EMOLS-id_335091798	451.604	NWUBFOIUWOYLGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138367
c1(NC(=S)Nc2ccc(cc2)Cc2ccncc2)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_6811096,MCULE-4890308200,ZINC22_20220670,PC-id_17375680,TIMTEC231078,EMOLS-id_4137929	451.604	IZSNLMRYCDOSEJ-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-138368
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CC2)C(=O)Nc2ccccc2)sc2c1CCCCC2	PC-id_41096832,GD-id_ZINC09501445	451.604	UWWFVERGQZNUOI-UHFFFAOYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-138369
N#Cc1c(NC(=O)[C@@H]([N@@H+]2CC[C@H](CC2)C(=O)Nc2ccccc2)C)sc2c1CCCCC2	GD-id_ZINC09605671,PC-id_41142550	451.604	VJIQUTKPYOJNMW-KRWDZBQOSA-O	00000000100010110100000000000010000000000000000000000000	31-01-138370
N#Cc1c(NC(=O)[C@H]([NH2+][C@H](c2ccc(cc2)NC(=O)C2CC2)C)C)sc2c1CCCCC2	GD-id_ZINC28350087	451.604	XICOPFJKYXLAOI-JKSUJKDBSA-O	00100000100000110100000000000010000000000000000000000000	31-01-138371
s1c2CCCCCc2nc1NC(=O)c1c(SCC(=O)Nc2ccc(cc2)C)cccc1	PC-id_55508201	451.604	ABSGAZWTGQHCND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138372
s1c(NC(=O)[C@H]([NH+]2CCC(CC2)C(=O)Nc2ccccc2)C)c(c2c1CCCCC2)C#N	PC-id_41142553	451.604	VJIQUTKPYOJNMW-QGZVFWFLSA-O	00000000100010110100000000000010000000000000000000000000	31-01-138373
s1c(NC(=O)C([NH+]2CCC(CC2)C(=O)Nc2ccccc2)C)c(c2c1CCCCC2)C#N	PC-id_74749145	451.604	VJIQUTKPYOJNMW-UHFFFAOYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-138374
CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CSc2nnc3n2CCCCC3)cc1	CoCoCo_4054362,ZINC22_14085678,EMOLS-id_13444694,MCULE-4271557440,PC-id_17440243	451.606	NIDFEIHLUXTBQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138375
S(=O)(=O)(N1CCCCC1)c1sc(cc1)CC(=O)NCCc1n2CCCCCc2nn1	PC-id_55534820	451.606	LGSXHYGKQZWAKQ-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-138376
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCCc2n1)c1nc(n(c1)C)C	PC-id_56226616	451.606	FPBKIMIYGVULIR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-138377
S(=O)(=O)(N1CCN(CC1)Cn1nc2n(CCCCC2)c1=S)c1ccc(OCC)cc1	PC-id_27073478	451.606	WCHHEODYEZHTJM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138378
S(=O)(=O)(N(CC)CC)c1c(ccc(NC(=O)CSc2n3CCCCCc3nn2)c1)C	PC-id_24371238	451.606	PPXCTVZAFVTGNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138379
Cc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1Cc1ccccc1	PC-id_41189030,ZINC22_9727925,CoCoCo_4175391	451.607	XTBLPYOMSJQVKI-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138380
Cc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1Cc1ccccc1	ZINC22_9727928,CoCoCo_4175392,PC-id_41189032	451.607	XTBLPYOMSJQVKI-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138381
C[C@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9606646,CoCoCo_4180054,PC-id_41142982	451.607	IBZPFFXWYHLVOW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138382
C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9606651,PC-id_41142985,CoCoCo_4180055	451.607	IBZPFFXWYHLVOW-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138383
N#Cc1c(NC(=O)C(Sc2nnc(n2Cc2ccccc2)C)C)sc2c1CCCCC2	PC-id_16328735,MCULE-6528825964,EMOLS-id_43973505	451.607	XTBLPYOMSJQVKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138384
N#Cc1c(NC(=O)C(Sc2nnc(n2C)Cc2ccccc2)C)sc2c1CCCCC2	EMOLS-id_11795363,PC-id_16350354,MCULE-2842563229	451.607	IBZPFFXWYHLVOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138385
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(CC)c(nn1)c1ccccc1)C)C#N	PC-id_24497499	451.607	DMWDFWMIJNZUQH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138386
s1c2CCCCCc2c(c1NC(=O)C(Sc1nc([nH]n1)c1ccc(CC)cc1)C)C#N	PC-id_24497540	451.607	VJEWKXOUZHDBDA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138387
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC)C#N	PC-id_19729829	451.607	JSYNIDWBWUDXDP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138388
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC)C#N	PC-id_19730022	451.607	SZHNEZYSMBLUFA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138389
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC)C#N	PC-id_19730203	451.607	RNTOZUGGSWZPGM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138390
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC)C#N	PC-id_17262240	451.607	ZKNGVTNOZWWWDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138391
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)C)C#N	PC-id_20124375	451.607	GHLSCAKMZKDNJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138392
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c2ccc(cc2)C)c(nn1)C)C#N	PC-id_17266909	451.607	UUAKBPBBQCIPSM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138393
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)c1ccccc1)C#N	PC-id_19727960	451.607	LXARPCOIQOFLCF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138394
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)C)C#N	PC-id_19729784	451.607	QIOSMODFNWZJPT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138395
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)C)C#N	PC-id_19729976	451.607	GZLGHVXTAWRFKX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138396
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)C)C#N	PC-id_19730151	451.607	AQBWRPNJWNCDME-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138397
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)C)C#N	PC-id_17302805	451.607	LCPQISUTAYEOCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138398
CCc1c(cc(c(c1)C(=NNC(=S)C(CC)CC1=CCc2c(C=C1)n(cc2C)C)C)O)O	PC-id_137071470	451.624	YWKGHGNUYAHFTJ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-138399
c1(NC(=S)NNC(=O)c2cc3c(CCCCC3)s2)sc(c(CC)c1C(=O)OC)C	EMOLS-id_4137947,CoCoCo_6798410,MCULE-3781383054,TIMTEC370202,PC-id_5191183	451.626	OYSBLLMQPPOCIN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-138400
c1(NC(=S)NNC(=O)c2ccc(C)s2)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-8672643215,TIMTEC357120,EMOLS-id_4137943,CoCoCo_6799945,PC-id_3274169	451.626	OJZYRNKFUNNXJN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-138401
c1(NC(=S)NNC(=O)c2csc(C)c2C)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_6799899,PC-id_3267997,MCULE-1472002366,EMOLS-id_4137953,TIMTEC310538	451.626	MKDRNVMEZJPCON-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-138402
c1(NC(=S)NNC(=O)c2csc(C)c2)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4137945,PC-id_3274170,CoCoCo_6799946,MCULE-2633857310,TIMTEC261645	451.626	KHNVJOSKDWDOAK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-138403
c1(NC(=S)NNC(=O)c2csc(CC)c2)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC123655,CoCoCo_6799904,PC-id_4636185,EMOLS-id_4137951,MCULE-5455748627	451.626	DJPDVACTJZEHFQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-138404
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3cccs3)CCn12	EMOLS-id_20580931,PC-id_45212087,MCULE-6854186367	451.627	GKIOWWZDPMAAFM-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-138405
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3ccsc3)CCn12	MCULE-8437999983,EMOLS-id_20510677,PC-id_45195927	451.627	PEPWKEQWILDPTJ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-138406
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cccs2)CC3)c1	CoCoCo_1389768,PC-id_26348942,CoCoCo_1389767,ZINC22_14993678	451.627	GKIOWWZDPMAAFM-JOCHJYFZSA-N	00000000100100110101000000000010000000000000000000000000	31-01-138407
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cccs2)CC3)c1	ZINC22_14993679,PC-id_26348944,CoCoCo_1389769,CoCoCo_1389770	451.627	GKIOWWZDPMAAFM-QFIPXVFZSA-N	00000000100100110101000000000010000000000000000000000000	31-01-138408
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccsc2)CC3)c1	CoCoCo_1286578,PC-id_42275168,CoCoCo_1286579,ZINC22_11910902	451.627	PEPWKEQWILDPTJ-QFIPXVFZSA-N	00000000100100110101000000000010000000000000000000000000	31-01-138409
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccsc2)CC3)c1	ZINC22_11910901,PC-id_42275166,CoCoCo_1286577,CoCoCo_1286576	451.627	PEPWKEQWILDPTJ-JOCHJYFZSA-N	00000000100100110101000000000010000000000000000000000000	31-01-138410
O=C(NCCc1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(N(C)C)cc1)C1CCCCC1	PC-id_42277853	451.627	CQFDZVWVZOZTCN-VOTSOKGWSA-O	00000000100010110101000000000010000000000000000000000000	31-01-138411
O=C(NCCc1n2CC[NH+](CCc2nn1)CC=Cc1ccc(N(C)C)cc1)C1CCCCC1	PC-id_74787471	451.627	CQFDZVWVZOZTCN-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-138412
O=C[C@H](C1NC(CCCCCCCCCCCCc2[nH]c1cc2)C(=O)N)Cc1ccccc1	PC-id_140694554	451.644	GCILIZUMGGOPRI-OMXGPXTPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138413
CC(C[C@H](c1nnc2n1CCN(CC2)CC1CCCCC1)NC(=O)c1cc(C)cc(c1)C)C	CoCoCo_1216032,PC-id_26282407,CoCoCo_1216033	451.647	OHSJKRVGQUEREP-XMMPIXPASA-N	00000000100010110101000000000010000000000000000000000000	31-01-138414
CC(C[C@@H](c1nnc2n1CCN(CC2)CC1CCCCC1)NC(=O)c1cc(C)cc(c1)C)C	CoCoCo_1216035,PC-id_26282409,CoCoCo_1216034	451.647	OHSJKRVGQUEREP-DEOSSOPVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138415
O=C(NC(c1n2CCN(CC3CCCCC3)CCc2nn1)CC(C)C)c1cc(cc(c1)C)C	PC-id_45184619	451.647	OHSJKRVGQUEREP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138416
CC(C)CN1CC(NC(=S)c2nn(cc12)CC(C)C)CCCCN(C(=O)O)C(C)(C)C	PC-id_87531426	451.669	CCSKOJWHQOMLPF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138417
CCCCN(CCCCC1CN(c2cn(nc2C(=S)N1)CC(C)C)CC(C)C)C(=O)O	SCHEMBL3466845,PC-id_87531333	451.669	HFRUJSWOPLDCAC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138418
CC(CN1C[C@H](CCCCN(C(C)(C)C)C(=O)O)NC(=S)c2c1cn(n2)CC(C)C)C	SCHEMBL3467374	451.669	CCSKOJWHQOMLPF-SFHVURJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138419
S=C1NC(CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCNC(=O)OC(C)(C)C	PC-id_75217814	451.669	ZYANNDWFRLDIDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138420
S=C1N[C@H](CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCNC(=O)OC(C)(C)C	PC-id_46840856	451.669	ZYANNDWFRLDIDL-SFHVURJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138421
CCC(=CC(c1[n+](c2=CC=C(CC=c2[nH]1)C)C)C(=C(CN)N=C)C)N1CCCN(CC1)CC	PC-id_90755803	451.671	FYZUNQLVJXSPEG-UHFFFAOYSA-O	00000000100000000111000000000010000000000000000000000000	31-01-138422
CCCCC(CC)COCC1(CNc2c([nH]c(c2OC1)C)N)COCC(CC)CCCC	PC-id_137419147,SCHEMBL20653121	451.686	QDRYLTCHQFMALX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138423
Clc1ccc(Cn2ncc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)c2)cc1	PC-id_19527295	451.873	WODYHXCPPGKGQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138424
Clc1ccc(Cn2nc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)cc2)cc1	PC-id_19527294	451.873	IGRYCZSJTMCDLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138425
Clc1cc(Cn2ncc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)c2)ccc1	PC-id_19523760	451.873	YFKXSDUTWBFNSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138426
Clc1cc(Cn2nc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)cc2)ccc1	PC-id_19523758	451.873	LNGLWVKXMOQPQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138427
Clc1c(Cn2ncc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)c2)cccc1	PC-id_19523695	451.873	XTDBYNXOEHLFPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138428
Clc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2ccccc2)c1	PC-id_19523744	451.873	YLZZJYPBILJMPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138429
Clc1cn(nc1)Cc1cc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)ccc1	PC-id_19523712	451.873	LGWRIDRDIHLNAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138430
Clc1ccc(OCC(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_3384593	451.92	YYEKTXKZBCBBKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138431
C1CCc2c([nH]nc2C(=Cc2cc(ccc2)Cl)C1)C(=O)NC(Cc1ccc(cc1)O)CO	PC-id_90729030	451.945	ZCJMHPXSOFDUGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138432
CC(C)c1ccc2-c(c(cc2CCC/C=N/NC(=O)Nc2ccc(Cl)cc2)C(=O)O)cc1	CHEMBL1206688,PC-id_44291911	451.945	HWTHCFOBIFLCKU-MZJWZYIUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-138433
Clc1cc(/C=C/2CCCCc3c2n[nH]c3C(=O)NC(Cc2ccc(O)cc2)CO)ccc1	SCHEMBL177186,PC-id_66614962	451.945	ZCJMHPXSOFDUGV-LDADJPATSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138434
Clc1cc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@@H](Cc2ccc(O)cc2)CO)ccc1	PC-id_58882642,SCHEMBL13745745	451.945	ZCJMHPXSOFDUGV-YWFITGJYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138435
Clc1ccc(Cn2c3c(CCCCC3)c(c2C)C(=O)C(=O)Nc2cc(OC)ncc2)cc1	SCHEMBL1982565,PC-id_53244390	451.945	JVGWTVWATXEIAB-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-138436
Clc1ccc(NC(=O)NN=CCCCc2c3-c(c(c2)C(=O)O)ccc(C(C)C)cc3)cc1	PC-id_74972037	451.945	HWTHCFOBIFLCKU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-138437
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)N(C)C)c2)Cc1ccc(cc1)Cl	EMOLS-id_16324838,CoCoCo_2544649,PC-id_20964813,MCULE-3319770140	451.949	HTASXHVJNDXYAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138438
CCN1N[C@@H](CNc2c(C1=O)n(cn2)Cc1cc(Cl)c2c(c1)CCO2)Cc1ccccc1	PC-id_142218532	451.949	WDGDALACBAZQJX-LJQANCHMSA-N	00000010100000110101000000001010000000000000000000000000	31-01-138439
Cn1cnc(c1)S(=O)(=O)N1CCc2nc(sc2CC1)C(=O)Nc1ccc(Cl)cc1	ZINC22_1258995099,EMOLS-id_313794364	451.95	MHVKCJXNOAQHRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138440
Clc1c(S(=O)(=O)N2CCCCC2)cc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_60520532	451.97	BCXGSSAMXFCJHW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138441
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2nc3n(CCC(NC3)C)c2)COC)cc1	PC-id_68588802,SCHEMBL3304800	451.97	SGDXVCZNMNMSER-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-138442
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2nc3n(CCN(CC3)C)c2)COC)cc1	PC-id_72246282	451.97	HNODATRXPRQFJO-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-138443
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2nn3c(CCN(CC3)C)c2)COC)cc1	SCHEMBL3305986,PC-id_68589415	451.97	UQURQVQVNZLIOQ-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-138444
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2nc3n(CCC(NC3)C)c2)COC)cc1	SCHEMBL3304803,PC-id_68588804	451.97	SGDXVCZNMNMSER-IUZLNWEFSA-N	00000010100100000101000000000010000000000000000000000000	31-01-138445
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2nc3n(CCN(CC3)C)c2)COC)cc1	SCHEMBL13395161,PC-id_59285193	451.97	HNODATRXPRQFJO-KGLIPLIRSA-N	00000010100100000101000000000010000000000000000000000000	31-01-138446
s1c2c(CCCCC2)c(c1NC(=S)N(CCCCCC)CCCCCC)C(=O)OC	PC-id_19653434	452.717	HJKKWAYSMJLRAN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-138814
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2nn3c(CCN(CC3)C)c2)COC)cc1	PC-id_59285202,SCHEMBL3305992	451.97	UQURQVQVNZLIOQ-HIFRSBDPSA-N	00000010100100000101000000000010000000000000000000000000	31-01-138447
O=C(c1ccc(c(c1)S(=O)(=O)N1CCCC1)Cl)NCCc1nnc2n1CCCCC2	PC-id_99183177	451.97	CGKWIHKMZYXMRY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138448
c1(NC(=O)c2c(cccc2F)Cl)sc2c(CCCCCCCCCC2)c1C(=O)OC	MCULE-5406977050,PC-id_4611962,CoCoCo_5806677,SPECS-id_AK-968/41017062,TIMTEC321594,EMOLS-id_4138132,ZINC22_2777283	451.982	MWKAERKBRCPCQP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138449
Clc1cc(C[C@H]2CCCCCc3c2[nH]nc3C(=O)N[C@@H](COC)c2ccccc2)ccc1	PC-id_24966490,SCHEMBL13011099	451.988	ATHYEJNQOGUIMQ-OFNKIYASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138450
Clc1cc(C[C@@H]2CCCCCc3c2[nH]nc3C(=O)N[C@@H](COC)c2ccccc2)ccc1	SCHEMBL13011093,PC-id_24966489	451.988	ATHYEJNQOGUIMQ-REWPJTCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138451
Clc1cc(Cn2nc(c3c2CCCCCC3)C(=O)N[C@H](c2ccccc2)COC)ccc1	PC-id_25070526	451.988	HOFCAUWXEPPUDT-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138452
COC[C@@H](c1ccccc1)NC(=O)c1n[nH]c2c1CCCC[C@@H]2CCc1cccc(c1)Cl	PC-id_145479705	451.988	FOUODMZILLSSMD-OFNKIYASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138453
CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1Cl	PC-id_20166132,ZINC22_32125145	451.99	SXTQDQUVTKNQRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138454
Clc1c2nc(sc2ccc1)NC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_20180393	452.013	IDIGIUVZGADBMJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-138455
Clc1ccc(SCCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_41272294	452.03	WBGGFUHSDYEPFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138456
Clc1ccc(SCCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_23917530	452.03	VEPJNJBTUMTGQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138457
Clc1ccc(SC(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)C)cc1	PC-id_23772403	452.03	LFVMJFNLEUOCSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138458
C=C/C=Cc1cccc(c1)C(NCCC1(CC)N/C=C/CC(/C=C(/n2c1ccc2)C)Cl)O	PC-id_144114093	452.031	KRIOYPBFDZBTQK-MOSYCWAOSA-N	00000000100000110111000000000010000000000000000000000000	31-01-138459
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)C(C=C(F)F)O)C#N	PC-id_161983381	452.097	NODSGHYTAWGVKC-LSLKUGRBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138460
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)C(C=C(F)F)O)C#N	PC-id_161983382	452.097	NODSGHYTAWGVKC-KWCCSABGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138461
Brc1c(OC)c(/C=C(/c2n3CCCCCc3nn2)C#N)cc(Br)c1	PC-id_27115443	452.143	QHHYPZNQYFQXSZ-KPKJPENVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138462
Brc1c(OC)c(C=C(c2n3CCCCCc3nn2)C#N)cc(Br)c1	PC-id_74519846	452.143	QHHYPZNQYFQXSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138463
CC1=C(C=CC(=C1)C(=O)N2CC(C3=C(NN=C3C(=C2)C(=O)NC(C)C)C(F)(F)F)(C)C)F	PC-id_161941717	452.184	YKPPQGPQSINGHO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-138464
CNCCC(C1=CC=CC=C1)OC2=CC(=C(C=C2)CN3CCCN4C(=CC(=N4)OC)C3=O)F	PC-id_155072023	452.222	CCMNPRYBMDPNIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138465
CC(C)C(C(=O)CC1CC2=CC=NN2CCNC(=O)C1=O)NC(=O)OCCOCCOC	PC-id_148136563	452.227	JWCCFQWRMSWEMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138466
CC(C)C(C(=O)CC1CC2=NC=CN2CCNC(=O)C1=O)NC(=O)OCCOCCOC	PC-id_148002397	452.227	IXEXTTHPUMQYLP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138467
Clc1n(nc(c1Cl)C)CCCNC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F	PC-id_19523855	452.301	ZFORRCZYZSUCJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138468
C1CN(Cc2c(nnn2C1)C(=O)O)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_86345883,SCHEMBL16093945	452.308	KCJFNIYBFJSRND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138469
Ic1c(OCC(=O)Nc2sc3CCCCCc3c2C#N)cccc1	PC-id_38878516	452.309	WXCYEXSEWNMYHC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138470
C1CN(Cc2cc(nn2C1)C(=O)N1CCNCC1)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16100291,PC-id_86345966	452.334	BJNUVSATNZSMCK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138471
Clc1c(C(=O)N2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)cccc1Cl	PC-id_55752160	452.334	CSSOVWCEWHWIOO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138472
Clc1c(C(=O)N2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc(Cl)c1	PC-id_55661050	452.334	IIHLBCCAONSSOW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138473
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C#N	PC-id_4079574	452.338	FGRDQEJSLLIGSF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-138474
O=C(N1CCCn2c(C1)cc(n2)C(=O)O)CNC1CC(=CC(=C1)C(F)(F)F)C(F)(F)F	PC-id_144720820	452.351	CYQVQURUTPDEPL-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-138475
c1(NC(=O)COc2cccc(Br)c2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_1954436,ZINC22_2273029,EMOLS-id_2409665,STOCK3S-10024,SPECS-id_AG-205/14486042,PC-id_1898626,MCULE-8704379218	452.362	OBVASXARULQIKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138476
c1(NC(=O)COc2ccccc2Br)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3136953,CoCoCo_228621,EMOLS-id_1363021,ZINC22_6599669,BAS-02052616,TIMTEC202344,MCULE-5362991352	452.362	HTTPDTUFCLSZLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138477
Brc1cc(NC(=O)CSCC(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_56019035	452.369	TWYBIXHIJJUOLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138478
N#Cc1c(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)sc2c1CCCCC2	MCULE-7044950705,EMOLS-id_3448854,PC-id_4446446,CoCoCo_3083761,ZINC22_9545640	452.381	ZNTWZDRSDHFXNA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-138479
Brc1ccc(cc1)NC(=S)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	MCULE-6348059580,PC-id_4296015	452.388	JQCFEKWZATXWBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138480
NC(=O)c1c(NC(=S)NC(=O)c2ccc(Br)cc2)sc2c1CCCCC2	PC-id_20166149,ZINC22_32125342	452.388	DXKSBRIUAMNPKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138481
NC(=O)c1c(NC(=S)NC(=O)c2cccc(Br)c2)sc2c1CCCCC2	PC-id_20166145,ZINC22_32125388	452.388	YWJMSUYEVOYPRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138482
NC(=O)c1c(NC(=S)NC(=O)c2ccccc2Br)sc2c1CCCCC2	ZINC22_32125189,PC-id_20166141	452.388	MKSWCIRVEWNYEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138483
Brc1cc(sc1)c1scc(n1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_52717130	452.392	PKACAGISZQNKNI-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-138484
c1(c(Br)c(nn1C)C)C(=O)NC(=S)Nc1sc2c(CCCCC2)c1C#N	EMOLS-id_4138314,ZINC22_2797331,MCULE-5560876807,TIMTEC121966,CoCoCo_5837648,PC-id_19580291	452.392	DHRHHMZAGYSXAF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138485
c1(NC(=S)NC(=O)c2nn(cc2Br)CC)sc2c(CCCCC2)c1C#N	TIMTEC157425,EMOLS-id_4138312,MCULE-3656222018,PC-id_3461078,CoCoCo_5806413,ZINC22_2805843	452.392	FVGJBZZYGDWEHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138486
c1(c2CCCCCc2sc1NC(=O)C=Cc1c(cccc1Cl)Cl)C(=O)OC(C)C	MCULE-4700632204,PC-id_4641971	452.394	ZURKFFAXAOEDLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138487
c1(c2CCCCCc2sc1NC(=O)C=Cc1ccc(c(Cl)c1)Cl)C(=O)OC(C)C	MCULE-2685677097,PC-id_4421149	452.394	MWTKFKBCSPEOCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138488
c1(NC(=O)C=Cc2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-7610553705,PC-id_4052120	452.394	CPOAYEILURJTOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138489
c1(NC(=O)C=Cc2c(cccc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_5056223,MCULE-8158407284	452.394	QJEZSOITMLNVEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138490
CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2	SPECS-id_AK-968/12096246,EMOLS-id_26780725,ZINC22_2082273,CoCoCo_6919375,TIMTEC321917,PC-id_1741477	452.394	MWTKFKBCSPEOCZ-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138491
CC(C)OC(=O)c1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc2c1CCCCC2	TIMTEC604942,EMOLS-id_26499461,CoCoCo_5825738,SPECS-id_AK-968/41925917,ZINC22_2115168,PC-id_1769900	452.394	ZURKFFAXAOEDLV-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138492
CC(OC(=O)c1c(NC(=O)/C=Cc2ccc(c(c2)Cl)Cl)sc2c1CCCCC2)C	CoCoCo_6919376	452.394	MWTKFKBCSPEOCZ-LUAWRHEFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138493
CCOC(=O)c1c(NC(=O)/C=Cc2ccc(cc2Cl)Cl)sc2c1CCCCCC2	CoCoCo_6809339	452.394	CPOAYEILURJTOB-BENRWUELSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138494
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCCCCC2	PC-id_5998391,EMOLS-id_46453988,TIMTEC105730,CoCoCo_6809338,ZINC22_20168284	452.394	CPOAYEILURJTOB-ZRDIBKRKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138495
CC(OC(=O)c1c(NC(=O)/C=Cc2c(Cl)cccc2Cl)sc2c1CCCCC2)C	CoCoCo_5825739	452.394	ZURKFFAXAOEDLV-QXMHVHEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138496
CCOC(=O)c1c(NC(=O)/C=Cc2c(Cl)cccc2Cl)sc2c1CCCCCC2	CoCoCo_6792080	452.394	QJEZSOITMLNVEC-SEYXRHQNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138497
CCOC(=O)c1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc2c1CCCCCC2	TIMTEC402874,EMOLS-id_46450643,PC-id_6259578,ZINC22_2748268,CoCoCo_6792079	452.394	QJEZSOITMLNVEC-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138498
Clc1cc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc1Cl	PC-id_4103465	452.394	JQAZSMHDJSIMGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138499
Clc1cc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc1Cl	PC-id_6010676	452.394	JQAZSMHDJSIMGO-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138500
Clc1cc(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_3491053	452.394	SFILCQFOBJGLNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138501
Clc1cc(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_5841739	452.394	SFILCQFOBJGLNJ-ZRDIBKRKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138502
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc(Cl)c1	PC-id_4120532	452.394	ASWWGKASUSDIPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138503
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)ccc(Cl)c1	PC-id_4615183	452.394	NSGQXNAKQZRCOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138504
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc(Cl)c1	PC-id_6014808	452.394	ASWWGKASUSDIPD-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138505
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)ccc(Cl)c1	PC-id_6164813	452.394	NSGQXNAKQZRCOC-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138506
Clc1c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)c(Cl)ccc1	PC-id_4169412	452.394	OHGIDKNBFNBLJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138507
Clc1c(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)c(Cl)ccc1	PC-id_6026975	452.394	OHGIDKNBFNBLJS-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138508
FC(F)(F)Oc1ccc(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)cc1	PC-id_45252234,EMOLS-id_20746895,MCULE-6711982062	452.43	DUWGWDRGEGLILA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138509
O=C1CC[C@@H](C(=O)NCc2nnc3n2CCN(Cc2ccc(OC(F)(F)F)cc2)CC3)N1	CoCoCo_1643049,CoCoCo_1643048,ZINC22_15070797	452.43	DUWGWDRGEGLILA-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138510
O=C1CC[C@H](C(=O)NCc2nnc3n2CCN(Cc2ccc(OC(F)(F)F)cc2)CC3)N1	CoCoCo_1643050,ZINC22_15070800,CoCoCo_1643051	452.43	DUWGWDRGEGLILA-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138511
C1Cn2cnnc2CN(C1Cc1ccccc1)S(=O)(=O)c1ccccc1OC(F)(F)F	PC-id_89555615	452.45	ZEGWWCMBOIPZKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138512
FC(Oc1ccccc1S(=O)(=O)N1Cc2nncn2CC[C@H]1Cc1ccccc1)(F)F	SCHEMBL14933999	452.45	ZEGWWCMBOIPZKV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138513
CC(C(C(=O)NC1Cc2cnoc2CNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138730957,SCHEMBL21110115	452.457	ZNNOGRZAOSEPEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138514
CC(C(C(=O)NC1Cc2ocnc2CNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21109034,PC-id_138729886	452.457	CBXIRVORMBHVMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138515
CC(C(C(=O)NC1Cc2oncc2CNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138730460,SCHEMBL21109615	452.457	GAABWOPHXRKYOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138516
Fc1cccc(F)c1/C=C/C(=O)N1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1	CoCoCo_1271553,PC-id_42341187,ZINC22_11996297,EMOLS-id_25998961	452.457	DKAIYAWQINLEFU-VOTSOKGWSA-N	00000000100000111101000000000010000000000000000000000000	31-01-138517
n12CCN(CCc1nnc2CCNC(=O)c1cccnc1)C(=O)C=Cc1c(cccc1F)F	MCULE-3712901968,PC-id_74844248	452.457	DKAIYAWQINLEFU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-138518
O=C(N1CCc2n(CC1)c(nn2)CCNC(=O)c1cccnc1)/C=Cc1c(F)cccc1F	CoCoCo_1271554	452.457	DKAIYAWQINLEFU-SREVYHEPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-138519
CC(C(C(=O)NC1Cn2cnnc2CNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21110519,PC-id_138731344	452.46	MFFTXTBUFTYMBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138520
CC(C(C(=O)NC1Cn2ncnc2CNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138731090,SCHEMBL21110249	452.46	XWXJYFUQLJNJIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138521
s1c2c(CCCCC2)c(c1N[C@@]1([NH+]=C(NC1=O)c1ccccc1)C(F)(F)F)C(=O)OC	PC-id_2217090	452.47	HMTLUUALBJQKLC-HXUWFJFHSA-O	00000011100000110101100000000010000000000000000000000000	31-01-138522
s1c2c(CCCCC2)c(c1N[C@]1([NH+]=C(NC1=O)c1ccccc1)C(F)(F)F)C(=O)OC	PC-id_2217092	452.47	HMTLUUALBJQKLC-FQEVSTJZSA-O	00000011100000110101100000000010000000000000000000000000	31-01-138523
s1c2c(CCCCC2)c(c1NC1([NH+]=C(NC1=O)c1ccccc1)C(F)(F)F)C(=O)OC	PC-id_53458912	452.47	HMTLUUALBJQKLC-UHFFFAOYSA-O	00000011100000110101100000000010000000000000000000000000	31-01-138524
Fc1ccc(c(c1C[N@@H+]1CCn2c(CC1)nnc2CNS(=O)(=O)c1ccccc1)F)F	GD-id_ZINC11872167,PC-id_42239017	452.473	TUBHDFAYRGGOON-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-138525
FC(F)(F)c1cc(N2CCN(CC2)C)ccc1NC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55787960	452.473	MQHLIIQRMUQGOC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138526
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1OC)OC)c2)Cc1ccc(cc1)F	EMOLS-id_16324744,MCULE-7812267813,CoCoCo_2544600,PC-id_20964766	452.478	BQGMPLJHZWHJID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138527
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1OC)OC)c2)Cc1cccc(F)c1	EMOLS-id_32633042,PC-id_53086368,MCULE-8917910146	452.478	LRKZUXXOVCQUEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138528
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OC)c1)OC)c2)Cc1ccc(cc1)F	PC-id_20964764,EMOLS-id_16324740,MCULE-1867289526,CoCoCo_2544598	452.478	DXESOAIXVSENAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138529
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OC)c1)OC)c2)Cc1cccc(F)c1	MCULE-6568308273,EMOLS-id_32633036,PC-id_53086365	452.478	XWCMGRZUGXZEKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138530
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(OC)c1OC)c2)Cc1cccc(F)c1	PC-id_53086369,MCULE-1675800477,EMOLS-id_32633044	452.478	MPEOBDDFOGMIGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138531
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(OC)ccc1OC)c2)Cc1ccc(cc1)F	CoCoCo_2544601,PC-id_20964767,EMOLS-id_16324746,MCULE-9988082743	452.478	IRARTICYXQHZJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138532
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(OC)ccc1OC)c2)Cc1cccc(F)c1	MCULE-6758227263,EMOLS-id_32633046,PC-id_53086370	452.478	LSHFFJVVGJSRIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138533
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)Cc2ccc(OC)c(F)c2)CCC3)cc1	ZINC22_1565554418,EMOLS-id_313765319	452.478	ZJNSRJUEFKJSHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138534
Fc1ccc(n2nc(CCCNC(=O)Cn3nc4n(CCCCC4)c3=O)c(c2N)C#N)cc1	PC-id_55653353	452.485	DIJBDYFNZCCQRJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138535
FC1CN(C1)Cc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366759	452.485	FUHFWSRPNFUJSP-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-138536
FC1CN(C1)Cc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367328	452.485	FUHFWSRPNFUJSP-SFHVURJKSA-N	00001000100000110101000000000010000000000000000000000000	31-01-138537
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)c1oc(cc1)C(=O)N	PC-id_55691702	452.485	AFERBFSISLNRJJ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-138538
FC(F)(F)c1c(C[NH+]2CCn3c(nnc3CCNC(=O)C3CCOCC3)CC2)cccc1	PC-id_42275056	452.493	UDQRFLHNIRJNGN-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-138539
CCOc1ccc(cc1[C@H]1C[C@@H](O)[C@@H]([C@H](O1)CO)O)Cc1cc2-c(c1C(=O)O)ccccc2	PC-id_142858247	452.496	ZIGWWPBLPQOQMK-QYOMTGNWSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138540
O1C(C(O)C(O)C(O)C1CO)c1c(ccc(c1)Cc1c(c2-c(c1)ccccc2)C(=O)OC)C	PC-id_72423623	452.496	WAEXBTRGHMLRHF-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138541
O1C(C(O)C(O)C(O)C1CO)c1cc(CCc2c(c3-c(c2)ccccc3)C(=O)OC)ccc1	PC-id_72423674	452.496	VOQJLGAXRLJJDF-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138542
O1[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(ccc(c1)Cc1c(c2-c(c1)ccccc2)C(=O)OC)C	PC-id_69381414,SCHEMBL5272935	452.496	WAEXBTRGHMLRHF-PLFWLVBQSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138543
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(ccc(c1)Cc1c(c2-c(c1)ccccc2)C(=O)OC)C	SCHEMBL5272925,PC-id_58786130	452.496	WAEXBTRGHMLRHF-HFBCXCLPSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138544
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(CCc2c(c3-c(c2)ccccc3)C(=O)OC)ccc1	PC-id_58786188,SCHEMBL14590113	452.496	VOQJLGAXRLJJDF-HFBCXCLPSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138545
s1c2CCCCCCc2nc1NC(=O)CCc1c(n2nc(nc2nc1C)C(F)(F)F)C	PC-id_60571667	452.496	FQNIMJLEUPOJFY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-138546
COc1cc(ccc1C(=O)N1CCCC(=O)c2c1ccs2)NC(=O)c1cccc(c1C)F	PC-id_69955183,SCHEMBL6993361	452.498	DFZDGLLETGJDBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138547
COc1cc(ccc1C(=O)N1CCCC(=O)c2c1ccs2)NC(=O)c1cc(F)ccc1C	SCHEMBL6989953,PC-id_69954206	452.498	VXPUGHSRXREXDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138548
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2cc3OCOc3cc2)cc1	PC-id_42331522	452.501	VBJSGAKLEJZKLM-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-138549
Fc1ccc(C(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)C(=O)OC)cc1	PC-id_42419794	452.501	BCCADOPURWPHIY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-138550
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OC[C@](NS2=O)(C)Cc1ccccc1	SCHEMBL21337332,PC-id_139471334	452.501	GJLOTFFLHGCSCC-SZGIACGNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138551
Oc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1cco2	PC-id_139750485	452.501	DUAMXHKSPUBBLH-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-138552
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(CCn12)C(=O)c1ccc(COC)o1	PC-id_45230613,ChEMBL-DNDi_CHEMBL67602953,EMOLS-id_20658889,MCULE-2500130234	452.506	KPURKMLILTYXTL-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-138553
c1(cc(on1)CC(C)C)C(=O)N1CCn2c(CC1)nnc2CNC(=O)c1ccccc1OC	ZINC22_14996772,MCULE-8308737799,CoCoCo_1398981,PC-id_26352498,EMOLS-id_20587133	452.506	MSVZHKDTUMOSBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138554
COCc1ccc(C(=O)N2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)o1	CoCoCo_1507554,ZINC22_12279549,PC-id_42499669	452.506	KPURKMLILTYXTL-HXUWFJFHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-138555
COCc1ccc(C(=O)N2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)o1	ZINC22_12279548,PC-id_42499668,CoCoCo_1507555	452.506	KPURKMLILTYXTL-FQEVSTJZSA-N	00000000101000101101000000000010000000000000000000000000	31-01-138556
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(NC(=O)C)cc2)CC3)o1	PC-id_26282481,MCULE-9230996489,CoCoCo_1216203,ChEMBL-DNDi_CHEMBL20853992,EMOLS-id_20461527,ZINC22_14888705,CoCoCo_1216202	452.506	PKRIIIYNCSCZQF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138557
COCCNCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367339	452.51	SVHCKOOOMLPGOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138558
COCCNCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367332	452.51	SVHCKOOOMLPGOL-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138559
COCCN1CCCc2c(C1)c(n[nH]2)C(N1CCC(CC1)c1ccccc1C(F)(F)F)O	SCHEMBL20696011,PC-id_137456592	452.513	GBZOQDOVJRCAIP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138560
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N1CCN(CC1)Cc1c(nn(c1)CC)C	PC-id_19527751	452.516	QKSGGJYCAIKXTI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-138561
CNCC[C@@H](c1ccccc1)Oc1ccc(c(c1)F)CN1CCCn2c(C1=O)cc(n2)OC	PC-id_142567032	452.521	CCMNPRYBMDPNIR-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138562
Fc1cc2/C(=C/c3[nH]c4CCCN(CCCN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_70917184,SCHEMBL13480214	452.521	CBDAAJBHQLUYLL-CYVLTUHYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-138563
Fc1cc2C(=Cc3[nH]c4CCCN(CCCN5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_77953845	452.521	CBDAAJBHQLUYLL-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-138564
CC=C(C=CC(=C)C1CCCCn2c1nc(n2)Nc1cc(c(cc1)n1cnc([n+]1C)C)F)F	PC-id_91191136	452.523	RWLFGQOTANUQIE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138565
s1c2c(CCCCC2)c(c1NC(=O)c1cc(NC(=O)c2occc2)c(cc1)C)C(=O)OC	PC-id_52638617	452.523	DRSOGGGFKSDMJP-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-138566
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1oc2c(c1C)cc(OCC)cc2)C#N	PC-id_4276007	452.523	IXDSZMCRLPWTPW-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-138567
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1oc2c(c1COC)cccc2)C)C#N	PC-id_55422293	452.523	JYRLLNDQYZSAAQ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-138568
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3ccc(c(OC)c3)F)CCn12	MCULE-2559176575,PC-id_45171508,EMOLS-id_20404764	452.524	KRLAEPTVLTVKSV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-138569
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3cc(OC)ccc3F)CCn12	MCULE-2546982146,EMOLS-id_20398412,PC-id_45170054	452.524	KKKFGUXUXBLWBH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-138570
COc1ccc(F)c(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1	CoCoCo_1129684,ZINC22_23129286,CoCoCo_1129685	452.524	KKKFGUXUXBLWBH-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-138571
COc1ccc(F)c(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1	ZINC22_23129287,CoCoCo_1129683,CoCoCo_1129682	452.524	KKKFGUXUXBLWBH-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-138572
COc1cc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)ccc1F	CoCoCo_1138101,ZINC22_12052378,CoCoCo_1138100	452.524	KRLAEPTVLTVKSV-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-138573
COc1cc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)ccc1F	ZINC22_12052376,CoCoCo_1138102,CoCoCo_1138103	452.524	KRLAEPTVLTVKSV-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-138574
COc1cccc(c1)C1(C)NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-7551866670,PC-id_42904054,EMOLS-id_24154107	452.526	BGSOAINJQXAOHP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-138575
COc1cccc([C@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C2=O)c1	PC-id_25711579,CoCoCo_3156656,ZINC22_13102386	452.526	BGSOAINJQXAOHP-QHCPKHFHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-138576
COc1cccc([C@@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C2=O)c1	ZINC22_13102385,CoCoCo_3156657,PC-id_25711578	452.526	BGSOAINJQXAOHP-HSZRJFAPSA-N	00000010100000110101100000000010000000000000000000000000	31-01-138577
O1c2cc(CC(C[NH+]3CCn4c(nnc4CCNC(=O)c4ccoc4)CC3)C)ccc2OC1	PC-id_74501339	452.526	FHBKWZWYFUAPHQ-UHFFFAOYSA-O	00000010101000100101000000001010000000000000000000000000	31-01-138578
O1c2cc(C[C@H](C[NH+]3CCn4c(nnc4CCNC(=O)c4ccoc4)CC3)C)ccc2OC1	PC-id_26355236	452.526	FHBKWZWYFUAPHQ-QGZVFWFLSA-O	00000010101000100101000000001010000000000000000000000000	31-01-138579
O1c2cc(C[C@@H](C[NH+]3CCn4c(nnc4CCNC(=O)c4ccoc4)CC3)C)ccc2OC1	PC-id_26355239	452.526	FHBKWZWYFUAPHQ-KRWDZBQOSA-O	00000010101000100101000000001010000000000000000000000000	31-01-138580
O1c2cc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)c4occc4)CC(C)C)CC3)ccc2OC1	PC-id_42459075	452.526	AKHDYQMFXCFVCN-GOSISDBHSA-O	00000010101000100101000000001010000000000000000000000000	31-01-138581
O1c2cc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)c4occc4)CC(C)C)CC3)ccc2OC1	PC-id_42459084	452.526	AKHDYQMFXCFVCN-SFHVURJKSA-O	00000010101000100101000000001010000000000000000000000000	31-01-138582
O1c2cc(C[NH+]3CCn4c(nnc4C(NC(=O)c4occc4)CC(C)C)CC3)ccc2OC1	PC-id_74805156	452.526	AKHDYQMFXCFVCN-UHFFFAOYSA-O	00000010101000100101000000001010000000000000000000000000	31-01-138583
Oc1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)cccc1OC	PC-id_26342950	452.526	KHHCVJBDJBJCSI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-138584
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)ccc(OC)c1	PC-id_42369870	452.526	XMAAEGHWVIRMBL-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-138585
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)ccc(OC)c1	PC-id_42369874	452.526	XMAAEGHWVIRMBL-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-138586
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)c3ccccc3)CC2)cc(OC)c(OC)c1)C	PC-id_42168627	452.526	KFDMWMWRQIAXIC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-138587
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)cccc1)CC=C	PC-id_42191213	452.526	KITUGHTXUHMPOA-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-138588
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)ccc(OC)c1	PC-id_74800031	452.526	XMAAEGHWVIRMBL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-138589
s1c2CCCCCc2cc1C(=O)NNC(=O)c1nn(CCOc2ccccc2)c(=O)cc1	PC-id_24517382	452.526	VRRGDYMKAWBCKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138590
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cn1c2c(n(c1=O)C)cccc2)C)C#N	PC-id_55516044	452.526	QTQDORUVDTZETL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-138591
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2nc4ccccc4s2)CC3)o1	EMOLS-id_20651303,ChEMBL-DNDi_CHEMBL65246103,MCULE-8837474184,PC-id_42472663,ZINC22_12218895	452.529	LTKKBSUSAVZOJN-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-138592
COc1cc(Cc2cc3-c(c2)ccc(cc3)C(C)C)cc(c1)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	PC-id_58786234,SCHEMBL14590128	452.539	MUTRAXXYBKWACG-SEFGFODJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138593
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccc(C(C)C)cc3)cc(OC)c1	PC-id_72423717	452.539	MUTRAXXYBKWACG-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138594
c1(c2CCCCCc2sc1N=Cc1ccc(cc1)F)C(=O)Nc1ccc(cc1OC)OC	PC-id_4210271,MCULE-4017049972	452.541	XFPFBFOTOLHAHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138595
c1(c2CCCCCc2sc1N=Cc1cccc(F)c1)C(=O)Nc1ccc(cc1OC)OC	PC-id_4210269,MCULE-4648055507	452.541	JRDRVCTVTICPDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138596
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)Nc1ccccc1OCC	ZINC22_2947414,EMOLS-id_2123688,MCULE-7730668365,TIMTEC467995,PC-id_2267192,ChEMBL-DNDi_CHEMBL6072721,CoCoCo_1731282,CK1174455	452.541	TXSNRCHCHGSNMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138597
c1(c2CCCCCc2sc1NC(=O)c1cccc(F)c1)C(=O)Nc1ccccc1OCC	CoCoCo_760390,CK1347843,EMOLS-id_2136113,SPECS-id_AG-205/14249005,MCULE-1949752116,ZINC22_2967973,PC-id_2274276,ChEMBL-DNDi_CHEMBL6241426	452.541	ONVJJCINQVJESN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138598
COc1ccc(c(c1)OC)NC(=O)c1c(/N=Cc2cccc(c2)F)sc2c1CCCCC2	CoCoCo_6250402	452.541	JRDRVCTVTICPDX-DICXZTSXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138599
COc1ccc(c(c1)OC)NC(=O)c1c(/N=Cc2ccc(cc2)F)sc2c1CCCCC2	CoCoCo_6728177	452.541	XFPFBFOTOLHAHU-DICXZTSXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138600
COc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2cccc(F)c2)c(OC)c1	TIMTEC246825,ZINC22_9907623,CoCoCo_6250401,EMOLS-id_46388657,PC-id_9653278	452.541	JRDRVCTVTICPDX-JFLMPSFJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138601
COc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2ccc(F)cc2)c(OC)c1	EMOLS-id_46413409,PC-id_9653280,TIMTEC544802,ZINC22_15946508,CoCoCo_6728176	452.541	XFPFBFOTOLHAHU-JFLMPSFJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138602
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)SC)c2)Cc1cccc(F)c1	EMOLS-id_32633056,MCULE-9932066039,PC-id_53086371	452.544	UXUVVYPDQWOPND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138603
CCOC(=O)/C=C
/SCC(=O)N1CC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	CoCoCo_3161027	452.544	APJQVSJIXZGCPO-CXUHLZMHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-138604
CCOC(=O)/C=C/1SCC(=O)N1CC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	PC-id_2695336,CoCoCo_3161026,ZINC22_12800646	452.544	APJQVSJIXZGCPO-SXGWCWSVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-138605
CCOC(=O)C=C1SCC(=O)N1CC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	PC-id_72091254,EMOLS-id_26056344,MCULE-6361953919	452.544	APJQVSJIXZGCPO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-138606
CSc1ccc(CCNC(=O)c2cc3C(=O)N(Cc4ccc(F)cc4)CCCn3n2)cc1	PC-id_50797949,EMOLS-id_32846258,MCULE-4017042594	452.544	MOEGTFNZTZBCRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138607
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2ccc(OCC)cc2)cc1	PC-id_42367565	452.544	MWRYSFJQEQRMAS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-138608
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2c(OCC)cccc2)cc1	PC-id_42451082	452.544	UBZCYHBEFBFEDZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-138609
Fc1ccc(C(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2c(c(c(OC)cc2)C)C)cc1	PC-id_42346876	452.544	URLKWBUTEBZZOF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-138610
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(OC)C)cc1)C(=O)OC	PC-id_52638638	452.544	VDFKXTPNXFKQBZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138611
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(ccc1OC)CC(=O)O	PC-id_52689744	452.544	SXQQKBURFHSQHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138612
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(c(OCC(=O)O)cc1)C	PC-id_56183994	452.544	WAFNGRMLFIKEIE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138613
CCC1=C(OC)CC=CC(=C1)N1CCN(C(C1)C)C(=O)CNC1=CC=c2c(=CC1)oc(=O)[nH]2	PC-id_143766813	452.546	WALIQQSAIHFWKD-UHFFFAOYSA-N	00000000100010000111100000000010000000000000000000000000	31-01-138614
Cc1c(C#N)c(NC(=O)CSc2nnc3n2CCCCC3)n(Cc2ccc(F)cc2)c1C	ZINC22_12567638,EMOLS-id_11801650,PC-id_16357166,MCULE-9168815014,CoCoCo_4311456	452.548	USQXGXVWXQEXHB-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-138615
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)Cc3nnc4n3CCCCC4)cc12	EMOLS-id_24145736,PC-id_25667328,CoCoCo_4524782,ZINC22_13008492,MCULE-9413498282	452.548	OALKFHYCEBTXBB-UHFFFAOYSA-N	00000000100000110101000100000010000000000000000000000000	31-01-138616
OCC1NC(=O)c2c(N(C1)Cc1ccc(cc1)c1ccccc1)cn(n2)CCc1ccccc1	PC-id_142695302	452.548	JMXKXDYNHFNKBY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138617
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3ccccn3)CCn12	MCULE-3739761252,PC-id_45194085,EMOLS-id_20502367	452.549	UELWIYOWAKUHRP-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-138618
C1CN(CCN1CC)C(=O)C(C)NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	MCULE-6251784831,PC-id_46049567,EMOLS-id_25388016	452.549	AMOJPDKWXFDGAN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138619
C1CN(CCN1C)C(=O)CCNC(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O	EMOLS-id_25388012,MCULE-5665778750,PC-id_46049762	452.549	MXFFTSDLNYMNOZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138620
CCN1CCN(CC1)C(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_92985955	452.549	AMOJPDKWXFDGAN-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138621
CCN1CCN(CC1)C(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_92985956	452.549	AMOJPDKWXFDGAN-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138622
CCN1CCN(CC1)C(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25387576,PC-id_46049574,MCULE-6074306537	452.549	WGHCYGJXZCNAEJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138623
CN1CCN(CC1)C(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_92985961	452.549	HJXRGRJMGLJKRB-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138624
CN1CCN(CC1)C(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_92985962	452.549	HJXRGRJMGLJKRB-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138625
CN1CCN(CC1)C(=O)C(NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	EMOLS-id_25388446,PC-id_46049730,MCULE-5798603588	452.549	HJXRGRJMGLJKRB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138626
CN(CC(=O)NC(c1nnc2n1CCN(CC2)C(=O)c1cc2c(o1)cccc2)CC(C)C)C	ChEMBL-DNDi_CHEMBL19961096	452.549	NTQBKPLHCFAZJP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-138627
CN(CC(=O)N[C@@H](c1nnc2n1CCN(CC2)C(=O)c1cc2c(o1)cccc2)CC(C)C)C	CoCoCo_1208739	452.549	NTQBKPLHCFAZJP-GOSISDBHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-138628
CN(CC(=O)N[C@H](c1nnc2n1CCN(CC2)C(=O)c1cc2c(o1)cccc2)CC(C)C)C	CoCoCo_1208740	452.549	NTQBKPLHCFAZJP-SFHVURJKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-138629
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccccn2)CC3)o1	CoCoCo_1274910,CoCoCo_1274911,ZINC22_12212079	452.549	UELWIYOWAKUHRP-HXUWFJFHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-138630
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccccn2)CC3)o1	ZINC22_12212077,CoCoCo_1274913,CoCoCo_1274912	452.549	UELWIYOWAKUHRP-FQEVSTJZSA-N	00000000101000101101000000000010000000000000000000000000	31-01-138631
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN1CCCC1)C)Cc1ccccc1	PC-id_42855050	452.549	ACMXVMQUOWZHTA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138632
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)CCCOc1c(OC)cc(cc1)C#N	PC-id_46471800	452.549	ULIKLYUZYLPRRO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138633
O=C(N1CCN(CC1)CC)CNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1	PC-id_42855025	452.549	ZSHDZVYOFPRULZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138634
O=C(N1CCN(CC1)C)CCNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1	PC-id_46159942	452.549	LKBPLOMZYNUKCE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138635
O=C(N1CCN(CC1)C)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_46049718	452.549	PPZKNUNPHSAEJY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138636
O=C(N1CCN(CC1)CC)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_46159914	452.549	WVZXJDXAWKGYGB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138637
O=C(N1CCN(CC1)C)C(NC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_42855015	452.549	USFSIXVSYZATKY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138638
O=C(N1CCN(CC1)C)CN(C(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_46049774	452.549	LPWRENBCMNMQEN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138639
O=C(N1CCN(CC1)C)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_42854970	452.549	DKDOZPKYRYLEHA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138640
O=C(N1CCN(CC1)C)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)C	PC-id_42854988	452.549	XODXQQHYFVHXHG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138641
O=C(NCCN(C)C)C1N(CCC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049580	452.549	SAAFBHHAVIHXAL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138642
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1nc(sc1)c1ncccc1)C#N	PC-id_30256551	452.549	HWSBEWFZHHORQZ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-138643
n12CCN(CCc1nnc2CCNC(=O)c1cccnc1)Cc1ccc(cc1)c1ccccc1	CoCoCo_1348266,PC-id_29256788,EMOLS-id_20553177,ZINC22_20996799,CoCoCo_1348265,MCULE-9386351213	452.551	BBSMXVJAOFUGNB-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-138644
O=C1NC(C(N(Cc2ccccc2)Cc2ccccc2)c2n(nnn2)C1Cc1ccccc1)C	PC-id_72817336	452.551	HDMAWHXPZIEKIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138645
O=C1N[C@H](C(N(Cc2ccccc2)Cc2ccccc2)c2n(nnn2)C1Cc1ccccc1)C	PC-id_11362976	452.551	HDMAWHXPZIEKIP-LXKSKSEUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138646
O=C(c1ccccn1)NCc1nnc2n1CCN(CC2)Cc1cccc(c1)c1ccccc1C	CoCoCo_1467359,ChEMBL-DNDi_CHEMBL59688809,PC-id_28355246,CoCoCo_1467360	452.551	QINOTRUZPQIMIL-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-138647
O=C(c1ccncc1)NCc1nnc2n1CCN(CC2)Cc1cccc(c1)c1ccccc1C	ChEMBL-DNDi_CHEMBL68786001	452.551	BVUSAEVDIODJFW-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-138648
O=C(NC(c1n2CCN(CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)c1cccnc1	PC-id_45166536	452.551	WKJQEXUBNVOJRD-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-138649
O=C(NCc1n2CCN(CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)c1ncccc1	PC-id_28477929	452.551	GOCAFCABRZWSMH-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-138650
O=C(N[C@@H](c1n2CCN(CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)c1cccnc1	PC-id_42357189	452.551	WKJQEXUBNVOJRD-HXUWFJFHSA-N	00000000100000111101100000000010000000000000000000000000	31-01-138651
O=C(N[C@H](c1n2CCN(CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)c1cccnc1	PC-id_42357194	452.551	WKJQEXUBNVOJRD-FQEVSTJZSA-N	00000000100000111101100000000010000000000000000000000000	31-01-138652
S(=O)(=O)(N1CCN(CC1)Cn1nc2n(CCCCC2)c1=S)c1c([N+](=O)[O-])cccc1	PC-id_31582031	452.551	VOODRRLBHQKYQB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138653
S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)c2sc3CCCCCCc3c2)ccc1F	PC-id_60402301	452.563	SYTVEZUZXVQETK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138654
CCCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)cc2)CCC	SCHEMBL13449534,PC-id_70905861	452.564	GIEXECQAIMZNNZ-SILNSSARSA-N	00000010100000100100000000001010000000000000000000000000	31-01-138655
Fc1cc2C(=Cc3[nH]c4CCCN(CCN(CCC)CCC)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_77950548	452.564	GIEXECQAIMZNNZ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-138656
COc1ccc(cc1)OCC(CN1CCC(=O)N(Cc2c1ccs2)Cc1ccccc1)O	PC-id_134786571	452.566	VSBJCANUQHSAET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138657
O=C(c1ccc(cc1)c1ccccc1)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139710002	452.567	WNNKRLXYEFTPIY-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-138658
O=C(Nc1ccc(C(=O)N2CCCCc3sccc23)cc1)c1ccccc1c1ccccc1	CHEMBL175813,PC-id_21467167,BindingDB_PC-id_21467167,SCHEMBL8742945	452.567	FCTSOYFQOMNNFT-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-138659
O=C(NC(C(=O)NC1Cc2cnc(s2)CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138730435,SCHEMBL21109590	452.568	QMQZESVXKOTIAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138660
O=C(NC(C(=O)NC1Cc2ncsc2CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21109617,PC-id_138730462	452.568	CTGLGBJVFSJWBV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138661
O=C(NC(C(=O)NC1Cc2nsc(c2)CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138730185,SCHEMBL21109336	452.568	OZCZWWVRCVLKLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138662
O=C(NC(C(=O)NC1Cc2sncc2CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138731104,SCHEMBL21110264	452.568	VNLGXQPAJYPQKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138663
O=C(NC(C(=O)NC1CCc2csc(n2)CCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138731084,SCHEMBL21110242	452.568	BKAYBGAQFJVQBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138664
O=C(NC(C(=O)NC1CCc2snc(c2)CCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21109703,PC-id_138730548	452.568	YISZOTAZATWAAE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138665
c1(c2CCCCCCc2sc1NC(=O)c1ccnn1C)C(=O)Nc1ccccc1OCC	ZINC22_20190255,MCULE-7277212857,TIMTEC344247,PC-id_17371803,EMOLS-id_4138802,CoCoCo_6806330	452.569	NVRUVFXXDWGJAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138666
COc1ccc(C(NC(=O)CSc2nnc3n2CCCCC3)c2ccc(OC)cc2)cc1	CoCoCo_4013274,MCULE-3201535151,EMOLS-id_11770433,PC-id_16332343,ZINC22_9783630	452.569	IOTRHILCPYZLND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138667
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCCCCCCC)C(=O)OCC	PC-id_19651346	452.717	JXZXNJLGOYRBGA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-138815
COCC(=O)N[C@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(cc1)c1ccco1)CC(C)C	GD-id_ZINC11999174,PC-id_42344221	452.569	MJVOSPQATQXVMS-NRFANRHFSA-O	00000000101000110101100000000010000000000000000000000000	31-01-138668
o1c(C(CC[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)C)ccc1C	PC-id_74500472	452.569	QGJSAVULIGYDCT-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-138669
o1c([C@@H](CC[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)C)ccc1C	PC-id_26397269	452.569	QGJSAVULIGYDCT-GOSISDBHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-138670
o1c([C@H](CC[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)C)ccc1C	PC-id_26397273	452.569	QGJSAVULIGYDCT-SFHVURJKSA-O	00000000101000110101000000000010000000000000000000000000	31-01-138671
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)cccc1)CC	PC-id_42371903	452.569	BUACNXXSSFPFFM-HXUWFJFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-138672
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)cccc1)CC	PC-id_42371906	452.569	BUACNXXSSFPFFM-FQEVSTJZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-138673
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)cccc1)CC	PC-id_74800274	452.569	BUACNXXSSFPFFM-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-138674
O=C1NC(COC(C)(C)C)CN(c2c1nn(c2)CCc1ccccc1)C(=O)c1cccs1	PC-id_142695300	452.569	TUJPBQOOLXVFDC-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-138675
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1occc1)CC(C)C)COC	PC-id_74844820	452.569	MJVOSPQATQXVMS-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-138676
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1occc1)CC(C)C)COC	PC-id_42344223	452.569	MJVOSPQATQXVMS-OAQYLSRUSA-O	00000000101000110101100000000010000000000000000000000000	31-01-138677
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)Cc1onc(n1)c1ccc(OC)cc1	PC-id_26113793	452.569	SEPUDAZPSMCKDJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138678
s1c2CCCCCc2cc1C(=O)N(CCC)c1c(n(Cc2ccccc2)c(=O)[nH]c1=O)N	PC-id_24399457	452.569	JOKYUKZQQCIKFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138679
s1c2c(CCCCC2)c(c1NC(=O)CN1C(CCC1)C(=O)Nc1ccc(OC)cc1)C#N	PC-id_55852912	452.569	GYVYZNJLYWWRTO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-138680
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc2OCOc2cc1)C#N	PC-id_2697788	452.569	SQKKQYIAUWGXEG-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-138681
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc(OC)c(N2CCCC2=O)cc1)C)C#N	PC-id_24614838	452.569	CAKQXNPLZGJFEA-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-138682
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCC(=O)N(CCC#N)c1ccccc1	PC-id_56514726	452.569	PZCWLINELGNEOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138683
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)Cc1ccccc1	PC-id_42163142	452.571	QSBVARXUAXVPES-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-138684
O=C(NCc1n2CC[NH+](CC(c3ccccc3)c3ccccc3)CCc2nn1)c1ccccc1	PC-id_42372908	452.571	ZBAPKZHGFWJAQJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-138685
Cc1ccc(C(=O)NCCc2nnc3n2CCN(C(=O)CCc2scnc2C)CC3)cc1	ZINC22_15069768,MCULE-6379675817,EMOLS-id_20744965,PC-id_26400653,CoCoCo_1639840	452.572	AWOQIKJFHVVAMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138686
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(c2ccc(C(=O)N)cn2)CC1	CoCoCo_4867640,PC-id_40155211,CoCoCo_4867641,ZINC22_32916298	452.572	VWGIEMJNFSSKGW-OAHLLOKOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-138687
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(c2ccc(C(=O)N)cn2)CC1	PC-id_40155213,CoCoCo_4867638,ZINC22_32916299,CoCoCo_4867639	452.572	VWGIEMJNFSSKGW-HNNXBMFYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-138688
n12CCN(CCc1nnc2CCNC(=O)C1CCCO1)Cc1cnc(c2ccccc2)s1	MCULE-5479845665,PC-id_45929699,EMOLS-id_232719750	452.572	FLULIUDCVRRQDD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-138689
N#Cc1c(NC(=O)C(N2CCN(CC2)c2ccc(cn2)C(=O)N)C)sc2c1CCCCC2	EMOLS-id_24997089,PC-id_42960010,MCULE-1025537553	452.572	VWGIEMJNFSSKGW-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-138690
O=C(NCCc1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2)[C@@H]1CCCO1	ZINC22_20451298	452.572	FLULIUDCVRRQDD-IBGZPJMESA-N	00000010100000110101100000000010000000000000000000000000	31-01-138691
O=C(NCCc1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2)[C@H]1CCCO1	ZINC22_20451300	452.572	FLULIUDCVRRQDD-LJQANCHMSA-N	00000010100000110101100000000010000000000000000000000000	31-01-138692
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(n(nc1C)c1nc(cc(n1)C)C)C)C(=O)N	PC-id_55581194	452.572	VAWFBEQHZKNLCH-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-138693
CCC(c1cc(cn(c1=O)C)c1cccc(c1F)NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_143646177	452.584	KKGFHFMZCVVWTD-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-138694
CC(c1ccc2-c(cc1)c(cc2CCCCCCNS(=O)(=O)c1ccccc1)C(=O)[O-])C	GD-id_ZINC13826283	452.586	DJNULGZZMKGCAG-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-138695
CCCc1nc(nn1CC(=O)C=C1CCCc2c(CC1)sc(n2)C)c1ccc(c(c1)C)F	PC-id_145589023	452.587	IKOLBGKXRLGJAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138696
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CC4=CCC5C(C4C5)(C)C)CCc3nn2)cc1	PC-id_74799984	452.587	QPTRQBACDUIVIV-UHFFFAOYSA-O	00001000100011110101001000000010000000000000000000000000	31-01-138697
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CC4=CC[C@@H]5C([C@H]4C5)(C)C)CCc3nn2)cc1	PC-id_42369343	452.587	QPTRQBACDUIVIV-UNMCSNQZSA-O	00001000100011110101001000000010000000000000000000000000	31-01-138698
ONC(=O)[C@H]1[C@H](CCC(C)C)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966484	452.587	BMBSCIILDDUZNF-UYAOXDASSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138699
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(OCC)c(OCC)cc1	PC-id_24467277	452.587	RPJQBERLMLHEPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138700
S(=O)(=O)(N1C(C(CCC(C)C)c2c(scc2)CC1)C(=O)NO)c1ccc(OC)cc1	PC-id_53689217	452.587	BMBSCIILDDUZNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138701
S(=O)(=O)(N1CC(CCC(C)C)c2c(scc2)CC1C(=O)NO)c1ccc(OC)cc1	PC-id_76454260	452.587	UCSRVBDTFIMFOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138702
S(=O)(=O)(N1C[C@H](CCC(C)C)c2c(scc2)C[C@H]1C(=O)NO)c1ccc(OC)cc1	PC-id_56976339	452.587	UCSRVBDTFIMFOS-KXBFYZLASA-N	00000000100000110100000000000010000000000000000000000000	31-01-138703
c1(c2CCCCCc2sc1N=Cc1cccs1)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_3815269,MCULE-5907452695	452.589	PBRYJEMUBNHBGE-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-138704
CCOC(=O)c1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2cccs2)cc1	CoCoCo_6250473,PC-id_9637302,EMOLS-id_46388703,ZINC22_101726002	452.589	PBRYJEMUBNHBGE-MFKUBSTISA-N	00000000100100110100000000000010000000000000000000000000	31-01-138705
CCOC(=O)c1ccc(NC(=O)c2c(/N=Cc3cccs3)sc3c2CCCCC3)cc1	ZINC22_15945874,CoCoCo_6250474,TIMTEC372872	452.589	PBRYJEMUBNHBGE-MYYYXRDXSA-N	00000000100100110100000000000010000000000000000000000000	31-01-138706
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(Oc2ccccc2)cc1)C(=O)OC	PC-id_20414370	452.589	GXIWBGQDTUPBGN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138707
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(Oc2ccccc2)cccc1)C(=O)OC	PC-id_20415593	452.589	LRPHMHCMYXJXJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138708
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)CCCN(C)C)C	PC-id_75036148	452.591	HUEUWTADLJASSZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138709
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)CCCN(C)C)C	CHEBI:113418,PC-id_44486346	452.591	FFUZSDQFZDZTHE-GGPKGHCWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138710
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)CCCN(C)C)C	PC-id_44484514	452.591	FFUZSDQFZDZTHE-NLWGTHIKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138711
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)CCCN(C)C)C	PC-id_44485052	452.591	FFUZSDQFZDZTHE-NSHGMRRFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138712
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)CCCN(C)C)C	PC-id_44485744	452.591	FFUZSDQFZDZTHE-QWFCFKBJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138713
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O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)CCCN(C)C)C	PC-id_44486952	452.591	FFUZSDQFZDZTHE-WSTZPKSXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138715
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)CCCN(C)C)C	PC-id_44487407	452.591	FFUZSDQFZDZTHE-HBFSDRIKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138716
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)CCCN(C)C)C	SCHEMBL17487096,PC-id_44488686	452.591	FFUZSDQFZDZTHE-BJLQDIEVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138717
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)CCCN(C)C)C	PC-id_44504968,CHEBI:113414	452.591	HUEUWTADLJASSZ-QWFCFKBJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138718
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)CCCN(C)C)C	PC-id_44505384	452.591	HUEUWTADLJASSZ-CMKODMSKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138719
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)CCCN(C)C)C	PC-id_44505388,CHEBI:113438	452.591	HUEUWTADLJASSZ-NSHGMRRFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138720
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)CCCN(C)C)C	PC-id_44505390	452.591	HUEUWTADLJASSZ-NLWGTHIKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138721
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)CCCN(C)C)C	PC-id_44505391,CHEBI:113283	452.591	HUEUWTADLJASSZ-WSTZPKSXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138722
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)CCCN(C)C)C	PC-id_44505392	452.591	HUEUWTADLJASSZ-GGPKGHCWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138723
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)CCCN(C)C)C	PC-id_44505548	452.591	HUEUWTADLJASSZ-HBFSDRIKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138724
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)CCCN(C)C)C	PC-id_44505982	452.591	HUEUWTADLJASSZ-BJLQDIEVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138725
s1c2c(CCCCC2)c(c1NC(=O)c1n(cc(S(=O)(=O)N(CC)CC)c1)C)C(=O)N	PC-id_55451326	452.591	KOWZWVMAAFEJAR-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-138726
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2CCCCCCc2n1)c1c(onc1C)C	PC-id_56020956	452.591	BYEAOYUQLGOOAC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-138727
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCN(CC1)CCC)c2)Cc1ccccc1	PC-id_53086337,EMOLS-id_32632800,MCULE-4826667861	452.592	GVBPKQXRQQACTC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138728
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3ccccc3OCC=C)CCn12	PC-id_45228746,MCULE-8487456664,EMOLS-id_20651129	452.592	XBHZUSISTCISEE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138729
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(CC=Cc3ccccc3OC)CCn12	MCULE-8352895768,PC-id_74801161	452.592	APMJMNLXIXZVAW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138730
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(CC=Cc3ccc(cc3)OC)CCn12	PC-id_74804017,MCULE-7275679618	452.592	VJZLCRMLFFQPJC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138731
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(cc3)N3CCCC3)CCn12	EMOLS-id_20580691,MCULE-9949781196,PC-id_45212032	452.592	NLOVSNWSKXRESJ-UHFFFAOYSA-N	00000010100010110101100000000010000000000000000000000000	31-01-138732
C=CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)C3CCN(C)CC3)n2CC1	CoCoCo_1495583,CoCoCo_1495580,ZINC22_12218857,CoCoCo_1495581,PC-id_42472616,CoCoCo_1495582	452.592	XBHZUSISTCISEE-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138733
C=CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)C3CCN(C)CC3)n2CC1	CoCoCo_1495587,PC-id_42472618,CoCoCo_1495585,CoCoCo_1495584,ZINC22_12218858,CoCoCo_1495586	452.592	XBHZUSISTCISEE-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-138734
C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccc(N3CCCC3)cc1)CC2	PC-id_42485510,CoCoCo_1389392,CoCoCo_1389391,ZINC22_12248087	452.592	NLOVSNWSKXRESJ-LJQANCHMSA-N	00000010100010110101100000000010000000000000000000000000	31-01-138735
C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccc(N3CCCC3)cc1)CC2	PC-id_42485512,CoCoCo_1389393,ZINC22_12248088,CoCoCo_1389394	452.592	NLOVSNWSKXRESJ-IBGZPJMESA-N	00000010100010110101100000000010000000000000000000000000	31-01-138736
CN(C)c1ccc(/C=C/CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)cc1	CoCoCo_1301397,EMOLS-id_44852345,PC-id_42277465,CoCoCo_1301399,ZINC22_11912930	452.592	BIJHCMHVBVVKSF-ONEGZZNKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138737
COc1ccccc1/C=CCN1CCc2n(CC1)c(nn2)[C@H](NC(=O)C1CCN(CC1)C)C	CoCoCo_1149808,CoCoCo_1149812,CoCoCo_1149810,CoCoCo_1149814	452.592	APMJMNLXIXZVAW-MONCILHSSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138738
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)[C@H](NC(=O)C1CCN(CC1)C)C	CoCoCo_1161507,CoCoCo_1161509,CoCoCo_1161505,CoCoCo_1161503	452.592	VJZLCRMLFFQPJC-PHWHVTFISA-N	00000000100010110101000000000010000000000000000000000000	31-01-138739
COc1ccccc1/C=C/CN1CCc2nnc(C(C)NC(=O)C3CCN(C)CC3)n2CC1	ChEMBL-DNDi_CHEMBL13466375,EMOLS-id_25989777,PC-id_45173576	452.592	APMJMNLXIXZVAW-SOFGYWHQSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138740
COc1ccccc1/C=C/CN1CCc2nnc([C@@H](C)NC(=O)C3CCN(C)CC3)n2CC1	PC-id_42407315,ZINC22_12099722,CoCoCo_1149815,CoCoCo_1149809,CoCoCo_1149813,CoCoCo_1149811	452.592	APMJMNLXIXZVAW-ZLQZBKBYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138741
COc1ccccc1/C=C/CN1CCc2nnc([C@H](C)NC(=O)C3CCN(C)CC3)n2CC1	ZINC22_12099723,PC-id_42407317	452.592	APMJMNLXIXZVAW-FNQPIQQGSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138742
COc1ccc(/C=C/CN2CCc3nnc(C(C)NC(=O)C4CCN(C)CC4)n3CC2)cc1	PC-id_45175499,EMOLS-id_25990745,ChEMBL-DNDi_CHEMBL14695685	452.592	VJZLCRMLFFQPJC-SNAWJCMRSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138743
COc1ccc(/C=C/CN2CCc3nnc([C@@H](C)NC(=O)C4CCN(C)CC4)n3CC2)cc1	CoCoCo_1161506,PC-id_42448979,ZINC22_12182383,CoCoCo_1161510,CoCoCo_1161504,CoCoCo_1161508	452.592	VJZLCRMLFFQPJC-VZSQWMKGSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138744
COc1ccc(/C=C/CN2CCc3nnc([C@H](C)NC(=O)C4CCN(C)CC4)n3CC2)cc1	ZINC22_12182389,PC-id_42448981	452.592	VJZLCRMLFFQPJC-PXPVJAHISA-N	00000000100010110101000000000010000000000000000000000000	31-01-138745
n12CCN(CCc1nnc2CCNC(=O)C1CCOCC1)Cc1ccc(cc1)N1CCCC1	CoCoCo_1352715,CoCoCo_1352716,MCULE-6960745175,PC-id_29257713,EMOLS-id_20556169,ZINC22_20998192	452.592	XFQLWTDYSDHNCV-UHFFFAOYSA-N	00000010100010110101100000000010000000000000000000000000	31-01-138746
n12CCN(CCc1nnc2CCNC(=O)C1CCOCC1)CC=Cc1ccc(cc1)N(C)C	PC-id_74787433,MCULE-1042996383	452.592	BIJHCMHVBVVKSF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138747
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s1c2CCCCCCc2nc1NC(=O)/C=C/c1nc(sc1)N(c1ccccc1)C(=O)C	PC-id_56036111	452.592	QQZNNRACXFCBBL-BUHFOSPRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138755
s1c2CCCCCCc2nc1NC(=O)C=Cc1nc(sc1)N(c1ccccc1)C(=O)C	PC-id_76295424	452.592	QQZNNRACXFCBBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138756
Cc1cccc(C)c1n1nnnc1SCCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4129348,ZINC22_9748330,PC-id_16353480,EMOLS-id_11798386,MCULE-1279549628	452.596	DWISDZQEJCRJRQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138757
Cc1cccc(C)c1n1nnnc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4183209,PC-id_41189066,ZINC22_9727987	452.596	FXLNGJTUNMQVOC-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138758
Cc1cccc(C)c1n1nnnc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9727989,CoCoCo_4183208,PC-id_41189067	452.596	FXLNGJTUNMQVOC-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138759
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s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)c1ncccc1)C#N	PC-id_17303648	452.596	YVAYFVQFWCCYLM-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-138778
Fc1cc(Br)c(cc1C(c1cc2c(s1)CCCCC2)Br)Cl	PC-id_105399947	452.607	QUWNDNCORGAPNI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138779
Fc1ccc(cc1)CN(C1=Nc2c(C(=O)CCC1)n(nc2C(C)(C)C)C)CC1CCCCC1	PC-id_143813456	452.607	OBSUISADFIIWOZ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-138780
c1(NC(=S)Nc2ccsc2C(=O)OC)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_993999,TIMTEC320024,EMOLS-id_2240951,MCULE-9013653938,PC-id_2207315,ZINC22_2853653	452.611	MUQYQJIVDHGFDQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-138781
c1(NC(=O)CCC(=O)N2CCN(CC2)CC=Cc2ccccc2)sc2c(CCCCC2)n1	MCULE-9218891686	452.612	XEZWHWHWQQVGGM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138782
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccccc1N1CCOCC1	CoCoCo_4235299,ZINC22_9206952,CoCoCo_4235298,PC-id_40967729	452.612	JTFFKARYTIYJGA-SFHVURJKSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138783
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccccc1N1CCOCC1	CoCoCo_4235301,ZINC22_9206956,CoCoCo_4235300,PC-id_40967732	452.612	JTFFKARYTIYJGA-GOSISDBHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138784
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccc(N2CCOCC2)cc1	CoCoCo_4237300,CoCoCo_4237301,ZINC22_9778642,PC-id_41208157	452.612	YHZIKYVZAVHMFY-SFHVURJKSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138785
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccc(N2CCOCC2)cc1	PC-id_41208155,ZINC22_9778638,CoCoCo_4237303,CoCoCo_4237302	452.612	YHZIKYVZAVHMFY-GOSISDBHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138786
CC(NC(=O)NCCCN(C1CC1)Cc1ccc(cc1)Oc1nc2c(s1)C=CC=CC2)C	PC-id_143381910	452.612	ROGKDXAGYIVNAH-UHFFFAOYSA-N	00100000100000110111000000000010000000000000000000000000	31-01-138787
N#Cc1c(NC(=O)C(N(Cc2ccccc2N2CCOCC2)C)C)sc2c1CCCCC2	EMOLS-id_3687414,PC-id_16336055,MCULE-4886514495	452.612	JTFFKARYTIYJGA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138788
N#Cc1c(NC(=O)C(N(Cc2ccc(cc2)N2CCOCC2)C)C)sc2c1CCCCC2	EMOLS-id_43983292,MCULE-8373158393,PC-id_16330386	452.612	YHZIKYVZAVHMFY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138789
O=C(CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)Nc1nc2CCCCCc2s1	EMOLS-id_334789191	452.612	XEZWHWHWQQVGGM-JXMROGBWSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138790
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)Cc1ccc(OC)cc1)C#N	PC-id_45769498	452.612	LTGCTEHRGNJNNK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138791
s1c2CCCCCc2c(c1NC(=O)CCN(CCC)CC(=O)Nc1c(cccc1)C)C#N	PC-id_38176253	452.612	HWGMFTUIGROUBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138792
s1c2CCCCCc2c(c1NC(=O)CCN(CC(=O)Nc1c(cc(cc1C)C)C)C)C#N	PC-id_34431890	452.612	UTSLCYJSXVQTQP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138793
s1c2CCCCCc2c(c1NC(=O)C(NCc1c(CN2CCOCC2)cccc1)C)C#N	PC-id_43036312	452.612	HTXXIQAOGWPDRW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138794
s1c2CCCCCc2c(c1NC(=O)C(N(CC(=O)Nc1c(cc(cc1C)C)C)C)C)C#N	PC-id_55432591	452.612	JGPXGAHGXCAZBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138795
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(OCC)cccc1)C#N	PC-id_22199552	452.612	AUSUYYPCIZAFPZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138796
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(OC)ccc1)C#N	PC-id_17281527	452.612	QHHMHDQWZVVIDH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138797
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1nc(nc(c1)C)C(C)C)C#N	PC-id_26376579	452.615	FZPMRRRXFWTCNL-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-138798
s1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cc1	PC-id_42275165	452.635	PEPWKEQWILDPTJ-JOCHJYFZSA-O	00000000100100110101000000000010000000000000000000000000	31-01-138799
s1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cc1	PC-id_42275167	452.635	PEPWKEQWILDPTJ-QFIPXVFZSA-O	00000000100100110101000000000010000000000000000000000000	31-01-138800
s1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cc1	PC-id_74787082	452.635	PEPWKEQWILDPTJ-UHFFFAOYSA-O	00000000100100110101000000000010000000000000000000000000	31-01-138801
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc1	PC-id_26348941	452.635	GKIOWWZDPMAAFM-JOCHJYFZSA-O	00000000100100110101000000000010000000000000000000000000	31-01-138802
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc1	PC-id_26348943	452.635	GKIOWWZDPMAAFM-QFIPXVFZSA-O	00000000100100110101000000000010000000000000000000000000	31-01-138803
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc1	PC-id_74499254	452.635	GKIOWWZDPMAAFM-UHFFFAOYSA-O	00000000100100110101000000000010000000000000000000000000	31-01-138804
s1c2c(CCCCCCCCCC2)c(C(=O)N2CCCC2)c1NC(=O)Cc1ccccc1	PC-id_23878033	452.652	SINXSDNQYGNPOC-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-138805
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)Br)cc(c1)C(F)(F)F	SCHEMBL17509111,PC-id_118875562	452.653	MOWRPTBJONXILG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138806
O=C(NC(c1n2CC[NH+](CC3CCCCC3)CCc2nn1)CC(C)C)c1cc(cc(c1)C)C	PC-id_74494506	452.655	OHSJKRVGQUEREP-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-138807
O=C(N[C@@H](c1n2CC[NH+](CC3CCCCC3)CCc2nn1)CC(C)C)c1cc(cc(c1)C)C	PC-id_26282406	452.655	OHSJKRVGQUEREP-XMMPIXPASA-O	00000000100010110101000000000010000000000000000000000000	31-01-138808
O=C(N[C@H](c1n2CC[NH+](CC3CCCCC3)CCc2nn1)CC(C)C)c1cc(cc(c1)C)C	PC-id_26282408	452.655	OHSJKRVGQUEREP-DEOSSOPVSA-O	00000000100010110101000000000010000000000000000000000000	31-01-138809
s1c(C(=O)N2CC(CCC2)CN2CCN(CC2)c2ncccc2)cc2c1CCCCCC2	PC-id_56243520	452.655	VGWPSYOONLLIBP-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-138810
s1c2CCCCCc2c(c1NC(=O)C(Sc1sc(SCCCC)nn1)C)C#N	PC-id_24498977	452.68	DZZZFLPDJMPSDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138811
Cc1ccccc1CN1c2c(C(=C)NCCCCCN1)scc2CCNC1CCCCC1	PC-id_135248074,SCHEMBL20407938	452.698	MKAMOVMEWOMHFA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138812
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCCCCCCCC)C(=O)OC	PC-id_19651424	452.717	MDVBTWAXAJGZKX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-138813
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCCCCCCC)C(=O)OC	PC-id_19651339	452.717	HEZRXLDDYGMKIS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-138816
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCCCCCC)C(=O)OCC	PC-id_19651248	452.717	NDGHKTMCVCZDOT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-138817
s1c2c(CCCCCC2)c(c1NC(=S)N(CCCCC)CCCCC)C(=O)OCC	PC-id_19653348	452.717	GLJUDHIASFUTPQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-138818
CCCCCCCCCCCCCCCCCc1ccc2-c1c(OCC)cc(cc2)C(C)C	SCHEMBL9875981,PC-id_19996717	452.755	PEAOVAXALOZLAU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-138819
CCCCCCCCCCCCCCCCCCc1ccc2-c1c(OC)cc(cc2)C(C)C	PC-id_19996738,SCHEMBL9876456	452.755	ANOSXUVTZHAXQI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-138820
CCCCCCCCCCCCCCCCCCc1ccc2-c1c(OC)ccc(c2)C(C)C	SCHEMBL9876459,PC-id_19996735	452.755	QHKRWJMBVFIKES-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-138821
Clc1ccc(Cn2nc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)nc2)cc1	PC-id_19523776	452.861	CQLXOGSWHWLPSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138822
Clc1ccc(n2ncc(C(=O)NCCc3n4CCCCCc4nn3)c2C(F)(F)F)cc1	PC-id_60389577	452.861	VXKQPAKVMIAUSI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138823
Clc1cc(Cn2nc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)nc2)ccc1	PC-id_19523785	452.861	YRTROQPYRAWCKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138824
Clc1c(Cn2nc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)nc2)cccc1	PC-id_19523784	452.861	LMUDJDHQQPNRIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138825
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc3c(OCO3)c1)c2)Cc1ccc(cc1)Cl	MCULE-4022158809,PC-id_50797916,EMOLS-id_32846278	452.89	LYGLTMXFUNCKSB-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-138826
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1OCC)c2)Cc1ccc(cc1)Cl	CoCoCo_2544642,EMOLS-id_16324824,PC-id_20964806,MCULE-3149105228	452.933	KGZPMIOIDPFPIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138827
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OCC)c2)Cc1ccc(cc1)Cl	PC-id_20964812,EMOLS-id_16324836,MCULE-2140513589,CoCoCo_2544648	452.933	DJZCKLSOZILZSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138828
c1(CN(c2ccc(cc2)NC(=O)C)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	CoCoCo_2580276,ZINC22_16838776,EMOLS-id_10086161,MCULE-5711230783,PC-id_27370298,ChEMBL-DNDi_CHEMBLF2559-0373	452.937	APDHYVBWIRBMGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138829
c1(CN(c2ccc(cc2)NC(=O)C)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	CoCoCo_2580275,MCULE-1741839079,EMOLS-id_10086215,ChEMBL-DNDi_CHEMBLF2559-0372,ZINC22_20604815,PC-id_29090955	452.937	FDUBLSHRILXZEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138830
Clc1ccccc1CC(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	MCULE-6078738427,CoCoCo_1223662,EMOLS-id_20466789,PC-id_42163720,ZINC22_11783679	452.937	FVXJNICZZBAJHX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-138831
Clc1cc(ccc1C(=O)N1CCCC(=O)c2c1ccs2)NC(=O)c1cccc(c1C)C	PC-id_69955037,SCHEMBL6992837	452.953	YQGOVULOIDFFHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138832
Clc1cc2C(=Cc3[nH]c4CCCN(CCN5CCCCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68524408	452.976	SWNVONWZTMRZRR-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-138833
Clc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCCCC5)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL3135000,PC-id_25115373	452.976	SWNVONWZTMRZRR-CYVLTUHYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-138834
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N[C@@H](C)c1nnc2n1CCCCC2	CoCoCo_4691947,ZINC22_12742097,GD-id_ZINC12742097,PC-id_25475512	452.98	FNMJJQKPUHBAHQ-UJGDBWEASA-N	00000000100000110101000000000010000000000000000000000000	31-01-138835
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N[C@H](C)c1nnc2n1CCCCC2	ZINC22_12742094,CoCoCo_4691945,PC-id_25475510	452.98	FNMJJQKPUHBAHQ-GZKZCVOOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138836
Clc1c(Cn2nc(c(c2C)/C=C/C(=O)NC(c2n3CCCCCc3nn2)C)C)cccc1	PC-id_42945140	452.98	FNMJJQKPUHBAHQ-OUKQBFOZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138837
Clc1c(Cn2nc(c(c2C)C=CC(=O)NC(c2n3CCCCCc3nn2)C)C)cccc1	PC-id_72054785,MCULE-3126823765,EMOLS-id_26238642	452.98	FNMJJQKPUHBAHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138838
Clc1c(Cn2nc(c(c2C)/C=C/C(=O)NCCc2n3CCCCCc3nn2)C)cccc1	PC-id_55552649	452.98	GSYGSABWBQFCRH-VAWYXSNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138839
Clc1c(Cn2nc(c(c2C)C=CC(=O)NCCc2n3CCCCCc3nn2)C)cccc1	PC-id_76245355	452.98	GSYGSABWBQFCRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138840
O=C(N[C@H](c1nnc2n1CCCCC2)C)/C=Cc1c(C)nn(c1C)Cc1ccccc1Cl	CoCoCo_4691946	452.98	FNMJJQKPUHBAHQ-QOHRORDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138841
O=C(N[C@@H](c1nnc2n1CCCCC2)C)/C=Cc1c(C)nn(c1C)Cc1ccccc1Cl	CoCoCo_4691948	452.98	FNMJJQKPUHBAHQ-MUSGIIIZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138842
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(cc1C)C	TIMTEC36386,EMOLS-id_2123391,MCULE-2720169579,CoCoCo_1731225,ZINC22_2946888,SPECS-id_AG-667/13796035,PC-id_2266989	452.996	RLRXDOAJRPAPBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138843
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)Cl)C(=O)Nc1c(C)cccc1C	CoCoCo_1965265,PC-id_1825483,EMOLS-id_2434450,SPECS-id_AG-205/41004542,MCULE-7926975024,ZINC22_2190957	452.996	BBEXYDOATFFLQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138844
Cc1ccc(C(C)C)c(OCc2n[n+](CC(=O)c3ccc(Cl)cc3)c3n2CCCCC3)c1	ZINC22_15961062,EMOLS-id_9819103,PC-id_4575049,ChEMBL-DNDi_CHEMBL1617064,CoCoCo_1824943,MCULE-2143099733	452.996	IWXBAJCOPJEWBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138845
CC(C)(C)c1ccc(OCc2n[n+](CC(=O)c3ccc(Cl)cc3)c3n2CCCCC3)cc1	CoCoCo_5792421,ZINC22_2684303,MCULE-6658139081,PC-id_4479480	452.996	ARQKADIUVGSAHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138846
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1C)NC(=O)c1cccc(c1C)C	PC-id_142627643	452.996	YGOWYRCXDGRJST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138847
COc1ccc(Cl)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408970151	452.996	BRVRFXFHKRJMLK-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-138848
O=C(Cc1ccccc1C)Nc1ccc(c(c1)C)C(=O)N1CCCCc2c1cc(s2)Cl	PC-id_142627631	452.996	IIXNEORWOCSGQD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138849
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1OC	PC-id_19677579	453.018	RXKBPSIBOKXPNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138850
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c(OC)cc1	PC-id_20415124	453.018	WPVJXNVRYRTMDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138851
NC[C@@H]1C[C@H](CN1C(=O)c1cc2c(s1)CCN(CC2)C)NC(=O)c1ccc(s1)Cl	PC-id_145481295	453.021	VWTQRHROJCPPSS-KGLIPLIRSA-N	00000010100100000100000000000010000000000000000000000000	31-01-138852
Brc1cc(Cc2c3-c(nc(n3)C)ccn(c2=O)C)cc(Br)c1OC	PC-id_59488630,SCHEMBL7596140	453.128	HPFCQGBEEIVUCQ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-138853
Brc1cc(CC2=c3[nH]c(=C)nc3C=CN(C2=O)C)cc(Br)c1OC	PC-id_72305708	453.128	AULROVPDYVHZKE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-138854
CN1C=C2C(=C1C(NC3=CC(=C(C=C3)F)C#N)O)CC[C@@H](NS2(=N)=O)CC4=CC=CC=C4	PC-id_154991287	453.163	HSMOLVHDQGZTKV-OYLHGPTQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138855
CC(C)OC(=O)C1=CN(CC(C2=C1N(C(=N2)C(F)(F)F)C)(C)C)C(=O)C3=CC(=CC=C3)F	PC-id_155203785	453.168	OEHPXQAMQJWWHV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-138856
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)C=NO2)NC(=O)OCCOCCOC	PC-id_146987523	453.211	APNZSLBXQDBOAD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138857
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)OC=N2)NC(=O)OCCOCCOC	PC-id_160218722	453.211	PIXDXIMIUJYBFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138858
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)ON=C2)NC(=O)OCCOCCOC	PC-id_148863746	453.211	OZVFJAJLWFSYIG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138859
CC(C)C(C(=O)CC1CCC2=C(CNC(=O)C1=O)N=CO2)NC(=O)OCCOCCOC	PC-id_160612690	453.211	RFRNNLCPVZKZLJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138860
CC(C)C(C(=O)CC1CC2=CN=NN2CCNC(=O)C1=O)NC(=O)OCCOCCOC	PC-id_149020318	453.222	QDINALNRMNBYKN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138861
CC(C)C(C(=O)CC1CC2=NN=CN2CCNC(=O)C1=O)NC(=O)OCCOCCOC	PC-id_148984708	453.222	PWLCRYAEYKCDHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138862
CC(C)C1=C2C(=C(S1)C(C)(C)C)OCC(CO2)(C)COC3=CN=NN3CCOCCO	PC-id_153632243	453.23	BXYSVZYTIPVQBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138863
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC4=C(C=C3)N=CN4C	PC-id_155203726	453.238	MRKHKWIOCZPIRI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-138864
BrC1=CCC=CC(=C1)C(=O)Nc1ccc(cc1)OC1=c2[nH]c(=O)[nH]c2=NC=CC1	PC-id_143215999	453.289	ZSGZNYUJPUYLDY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-138865
Brc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc([N+](=O)[O-])c1	PC-id_30517983	453.307	IZXPBWWDNISOAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138866
COC(=O)[C@H]1C(=O)Nc2c(CN1C(=O)OCc1ccccc1)c(c(s2)C)Br	SCHEMBL19273938	453.307	BETFXBUNOLNEGD-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138867
C1CN(Cc2cc(nn2C1)C(=O)N1CCOCC1)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16102687,PC-id_86346011	453.319	KOTTWKWJOBJHCO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138868
c12-c(cc(ccc1C)C(C)C)c(cc2C=NNc1c(Cl)cc(Cl)cc1C(F)(F)F)C	PC-id_2740994,MCULE-5563836420	453.327	BWSJDWBZYWMXHP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-138869
CC(C)c1ccc(C)c2-c(c(cc2/C=NNc2c(Cl)cc(Cl)cc2C(F)(F)F)C)c1	EMOLS-id_5791632	453.327	BWSJDWBZYWMXHP-KYMQWJLESA-N	00000010100000110110000000000010000000000000000000000000	31-01-138870
Clc1c(N/N=C/c2c3-c(c(c2)C)cc(C(C)C)ccc3C)c(cc(Cl)c1)C(F)(F)F	PC-id_5703497	453.327	BWSJDWBZYWMXHP-VPUKRXIYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-138871
Brc1ccccc1CNC(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46347968,MCULE-2157065076,EMOLS-id_30600616	453.332	MCSDGMBGQHAEKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138872
Brc1cccc(CNC(=O)c2cc3C(=O)N(Cc4ccccc4)CCCn3n2)c1	PC-id_50798065,EMOLS-id_32846076,MCULE-5260884921	453.332	YHXFDAFMMGVYDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138873
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1Br)C)c2)Cc1ccccc1	CoCoCo_2544494,EMOLS-id_16324598,PC-id_20964700,MCULE-3983289658	453.332	ZSJXQQJYLWMPNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138874
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1C)Br)c2)Cc1ccccc1	EMOLS-id_32632784,MCULE-2343232382,PC-id_53034490	453.332	PKRINNMZPPTWIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138875
Clc1c(OCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc(Cl)c1	PC-id_3967944	453.339	DPKBBMGIZIMTMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138876
Brc1c(OC)cc(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc1OC	PC-id_24503532	453.35	ICUZKURCAFGYIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138877
Brc1c(OC)c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cc(OC)c1	PC-id_30291031	453.35	GMGRJVGALWBPLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138878
COC(=O)Oc1c2-c(c(c1NC(=O)C)OC(=O)OC)ccc(cc2)C(C(C)C)([PH2]=O)O	SCHEMBL8529021	453.38	VQCTUFLQQVMLNY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-138879
CCCCC1=NC2=C(N1CCCCCNC(=C)CC(C)(C)C)/C(=C/CC/C=C/NC2=NC)/C	PC-id_154682628	453.383	SSNTXBVTSDOGHS-SMAMHLNMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-138880
Fc1ccc(cc1)Cn1c(Oc2cccc(c2)COC(F)(F)F)nc2c1COOCN2C	SCHEMBL16363975,PC-id_117793964	453.387	HLKSVYSTNZNMGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138881
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)OC	PC-id_19527285	453.412	CMKFGTWZPKVMRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138882
Brc1cc(c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1)C	PC-id_20413456	453.416	HSQKTGXLBWDATE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138883
Brc1c(cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1)C	PC-id_20413532	453.416	NUYAVNZKYPQPMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138884
Brc1ccc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_20408853	453.416	KAWNDROEUDRINZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138885
Brc1ccc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_20408847	453.416	MAJOYSNIJVWCTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138886
Brc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_20409060	453.416	PQMXNLKIPIUQPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138887
Brc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_20409054	453.416	YRBYOBAGTRKVGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138888
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc(c1)C	PC-id_20411126	453.416	XGOVLOYVGZCBLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138889
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cccc1	PC-id_20409216	453.416	IVWJYRVCQINQCI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138890
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cccc1	PC-id_20409209	453.416	CEOQCMGTWWQECM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138891
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(OCC(F)(F)F)nc1)C#N	PC-id_55516364	453.435	FIRIWLCBKABFPS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-138892
O=C(C1=c2nc([nH]c2=CC=CC1)NC(=O)c1cccnc1Oc1ccccc1)Nc1ncc[nH]1	PC-id_143293994	453.453	YLKUBSJKZCNRML-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-138893
FC(F)(F)Oc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)cc1	EMOLS-id_20447735,MCULE-5365663220,PC-id_45181436	453.458	RHMXWRWYMIZWMJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138894
O=C(NCCc1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2)[C@H]1CCCO1	CoCoCo_1197191,CoCoCo_1197189,PC-id_26276321,ZINC22_14880486	453.458	RHMXWRWYMIZWMJ-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138895
O=C(NCCc1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2)[C@@H]1CCCO1	ZINC22_14880484,CoCoCo_1197192,PC-id_26276319,CoCoCo_1197190	453.458	RHMXWRWYMIZWMJ-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138896
CCNC(=O)c1c(ccc(c1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14966019,PC-id_89580342	453.466	YIYABKASIQNUHB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138897
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCc2occc2)cc1	PC-id_42855049	453.466	RKONRXCQNVFCJW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138898
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCc2occc2)C)cc1	PC-id_46049799	453.466	FIVFRUJLQVIAIE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138899
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NCc2occc2)C)cc1	PC-id_46049815	453.466	HQIGDYUPLWJFAY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138900
Fc1cc(C(=O)Nc2cc(NC(=O)Cn3nc4n(CCCCC4)c3=O)ccc2OC)ccc1	PC-id_55725823	453.466	IORSINAQSVMDAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138901
FC(c1ccc(cc1)S(=O)(=O)N/C=C(/c1ccc2-c1ccccc2)c1ccccc1)(F)F	PC-id_102367274	453.476	URWGZHDBPBOTGD-JJIBRWJFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-138902
FC(c1ccc(cc1)S(=O)(=O)NC=C(c1ccc2-c1ccccc2)c1ccccc1)(F)F	PC-id_142734125	453.476	URWGZHDBPBOTGD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-138903
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)c1c([N+](=O)[O-])cc(cc1)C(F)(F)F	PC-id_24546027	453.478	PSOAARZJSSQBPA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138904
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccc4c(CCO4)c3)CCn12	EMOLS-id_20522571,MCULE-1892336437,PC-id_45198617	453.484	VRHCMQOSEHAEIO-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-138905
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2	PC-id_42355660,CoCoCo_1304066,CoCoCo_1304065,ZINC22_12020310	453.484	VRHCMQOSEHAEIO-OAHLLOKOSA-N	00000010100000110101000000001010000000000000000000000000	31-01-138906
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2	PC-id_42355666,CoCoCo_1304067,ZINC22_12020317,CoCoCo_1304068	453.484	VRHCMQOSEHAEIO-HNNXBMFYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-138907
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)CNC(=O)c1c(F)cccc1F	CoCoCo_1245275,CoCoCo_1245277	453.484	XRNLNZOHPINYHC-ARJAWSKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138908
COc1ccc(cc1)C=CCN1CCc2n(CC1)c(nn2)CNC(=O)c1c(F)cccc1F	MCULE-5799085735,PC-id_74784824	453.484	XRNLNZOHPINYHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138909
COc1ccc(cc1)/C=C/CN1CCc2n(CC1)c(nn2)CNC(=O)c1c(F)cccc1F	PC-id_42239430,CoCoCo_1245276,CoCoCo_1245278,EMOLS-id_44851947	453.484	XRNLNZOHPINYHC-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138910
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OCC(=O)N	PC-id_72423709	453.484	MJOFKCQGTDXUNA-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138911
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OCC(=O)N	SCHEMBL14590142,PC-id_58786226	453.484	MJOFKCQGTDXUNA-HFBCXCLPSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138912
COCCOCCOC(=O)NC(C(=O)NC1Cc2ccnn2CCNC(=O)C1=O)C(C)C	SCHEMBL21109668,PC-id_138730513	453.489	QXUXRZCAIUENAT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138913
COCCOCCOC(=O)NC(C(=O)NC1Cc2cncn2CCNC(=O)C1=O)C(C)C	SCHEMBL21109478,PC-id_138730324	453.489	RCYRFNUSCWRGIE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138914
COCCOCCOC(=O)NC(C(=O)NC1Cc2nccn2CCNC(=O)C1=O)C(C)C	PC-id_138730845,SCHEMBL21110003	453.489	HSPKFXXEOSMINV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138915
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(C(=O)OC)cc2)CC3)o1	PC-id_29213892,CoCoCo_1321742,CoCoCo_1321741,ChEMBL-DNDi_CHEMBL35090216,MCULE-2670553037,EMOLS-id_20534947,ZINC22_20910923	453.491	HFEOIRKEJSQNIV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138916
c1(NC(=O)Cc2csc(c3ccc(cc3)OC(F)(F)F)n2)sc2c(CCCCC2)n1	EMOLS-id_323351052,MCULE-6243743769	453.501	YLYPDXCOOSXLDR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138917
COCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)C(F)(F)F)CC(C)C	CoCoCo_1233556,CoCoCo_1233555,PC-id_42191985	453.501	SJKWRIWZROXWCF-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138918
COCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)C(F)(F)F)CC(C)C	PC-id_42191988,CoCoCo_1233553,CoCoCo_1233554	453.501	SJKWRIWZROXWCF-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138919
FC(F)(F)c1ccc(CN2CCn3c(nnc3CC2)C(NC(=O)COC)CC(C)C)cc1	PC-id_45187471	453.501	SJKWRIWZROXWCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138920
COCn1c(nc2c1C=CCC=C2)C(=O)C1CC(C1)Oc1ncc(cc1C1CCOCC1)F	PC-id_144279597	453.506	OVZIAFFCVIMVSV-UHFFFAOYSA-N	00001000100010101111100000000010000000000000000000000000	31-01-138921
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3cc(OC)ccc3F)CCn12	EMOLS-id_20469079,MCULE-7082001560,PC-id_45186462	453.509	XIQGDFOJDAXNQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138922
CCOc1cc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)ccc1OC	CoCoCo_1284502,CoCoCo_1284503,ChEMBL-DNDi_CHEMBL29682726,EMOLS-id_20509257,PC-id_29150165,MCULE-5601594122,ZINC22_20775693	453.509	HGXTZCXMHCKRGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138923
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cc(OC)ccc3F)CCn12	CoCoCo_1502073,MCULE-8222076950,PC-id_28428375,ChEMBL-DNDi_CHEMBL66487896,EMOLS-id_20655411,CoCoCo_1502074,ZINC22_19883126	453.509	OLGIVGUVZBZYDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138924
COc1cccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1O	CoCoCo_1391242,ZINC22_14993986,ChEMBL-DNDi_CHEMBL46034110,CoCoCo_1391243,PC-id_26349304,EMOLS-id_20581829,MCULE-9229737610	453.509	CWPHIHCQPHKUIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138925
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2cc(OC)ccc2F)CC3)c1	CoCoCo_1227136,PC-id_28953777,CoCoCo_1227135,ZINC22_20449714	453.509	XIQGDFOJDAXNQC-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138926
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2cc(OC)ccc2F)CC3)c1	CoCoCo_1227137,ZINC22_20449712,PC-id_28953776,CoCoCo_1227138	453.509	XIQGDFOJDAXNQC-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138927
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)c(OC)c1	CoCoCo_1364605,EMOLS-id_20564221,ZINC22_23337649,PC-id_31015867,MCULE-2847264044,CoCoCo_1364606	453.509	IOZNNQMNWQFYKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138928
COc1cccc(OC)c1CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1	EMOLS-id_20603867,PC-id_28139072,MCULE-6506855441,ZINC22_19334412,CoCoCo_1423935,CoCoCo_1423936	453.509	VUOZUJMXRSYJCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138929
COc1ccc(F)c(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)c1	MCULE-5881912999,PC-id_45170450,EMOLS-id_20400114	453.509	DXTWDUJMZUBOSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138930
COc1ccc(F)c(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c1	CoCoCo_1132017,PC-id_30853036,CoCoCo_1132016,ZINC22_23129441	453.509	DXTWDUJMZUBOSR-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138931
COc1ccc(F)c(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c1	ZINC22_23129440,PC-id_30853035,CoCoCo_1132015,CoCoCo_1132014	453.509	DXTWDUJMZUBOSR-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138932
COc1cc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)ccc1O	MCULE-3788246629,CoCoCo_1152441,CoCoCo_1152442,ChEMBL-DNDi_CHEMBL13740907,EMOLS-id_20415418,PC-id_28310868,ZINC22_19742044	453.509	LKILHDUQHWXEGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138933
COc1cc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)ccc1F	PC-id_45205939,EMOLS-id_20554609,MCULE-9190250909	453.509	DJPIBLROMYUVHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138934
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)ccc1F	CoCoCo_1350382,ZINC22_12245223,PC-id_42482549,CoCoCo_1350381	453.509	DJPIBLROMYUVHC-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138935
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)ccc1F	PC-id_42482551,CoCoCo_1350384,ZINC22_12245224,CoCoCo_1350383	453.509	DJPIBLROMYUVHC-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138936
COc1cc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc(OC)c1	MCULE-2485630665,EMOLS-id_20603067,PC-id_28134136,ZINC22_19301027,CoCoCo_1422729,CoCoCo_1422728	453.509	CGSSPLLFIRRBJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138937
COc1ccc(OC)c(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)c1	PC-id_26275823,EMOLS-id_20446455,ZINC22_14879851,CoCoCo_1195358,CoCoCo_1195359,MCULE-7739116173	453.509	GQINUAKMVKBHIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138938
COc1ccc(O)c(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1	ZINC22_23129871,CoCoCo_1135351,MCULE-6156607371,PC-id_30853566,EMOLS-id_20402744,ChEMBL-DNDi_CHEMBL11995902,CoCoCo_1135350	453.509	JOGPWPMRRPNHPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138939
n12CCN(CCc1nnc2CNC(=O)Cc1cccc(F)c1)Cc1cccc(OCCO)c1	CoCoCo_1262474,PC-id_42368469,EMOLS-id_20493907,ZINC22_12037274,CoCoCo_1262473,MCULE-4120794482	453.509	DZXPHMCYSGUREV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138940
s1c2CCCCCc2cc1C(=O)NNC(=O)COc1cc(NC(=O)c2occc2)ccc1	PC-id_55616646	453.511	IBKFSTPFHUYYCR-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-138941
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)c1[nH]ccn1)C(=O)OC	PC-id_23971683	453.511	ZLZHOHBGVWKLBE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-138942
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1[nH]c2c(c1)cc(OC)cc2OC)C#N	PC-id_46531923	453.511	FHTGBVQSAILMBJ-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-138943
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCn1c2c(oc1=O)cccc2)C)C#N	PC-id_55425024	453.511	MNIRMPBPRRIFTM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-138944
O=C(CSc1nnc2n1CCCCC2)Nc1cc(C(F)(F)F)ccc1N1CCCCC1	ZINC22_9378917,EMOLS-id_11837948,MCULE-2038812965,PC-id_16378599,CoCoCo_4054377	453.524	ROBQOMWVCLPGCR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-138945
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccc(cc3)C(C)C)CCn12	EMOLS-id_20528529,PC-id_45199969,MCULE-7642392766	453.527	KNTJGZTWSBFJJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138946
CC(C)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1	CoCoCo_1312537,ZINC22_12124496,CoCoCo_1312538,PC-id_29209594	453.527	KNTJGZTWSBFJJR-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138947
CC(C)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1	CoCoCo_1312539,CoCoCo_1312540,ZINC22_12124500,PC-id_29209596	453.527	KNTJGZTWSBFJJR-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-138948
CCOC(=O)c1n(Cc2ccccc2)c(c2c1C(=O)CC(CC2=O)(CC)CC)C(=O)OCC	PC-id_102178239	453.527	BFGQZNACHXYPAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138949
CNCCOc1ccc(cc1[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1cc2-c(c1)ccccc2	SCHEMBL14590140,PC-id_58786233	453.527	FLMKLVSCHAWEIP-RTJMFUJLSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138950
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OCCNC	PC-id_72423716	453.527	FLMKLVSCHAWEIP-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-138951
COC(=O)[C@@H](N[C@H](C(=O)OC)CC(C)C)CCC(=O)Nc1nc2=CCC=C(C=c2s1)F	PC-id_142141614	453.528	FTCRAKJZHBNQJO-HOTGVXAUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-138952
CCOC(=O)CN1CCN(CC(=O)OCC)Cc2ccc(CN(CC1)CC(=O)OCC)o2	PC-id_15069678,SCHEMBL9207748	453.529	UESUVNPCPIWWBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-138953
c1(c2CCCCc2cs1)C(=O)N1CCn2c(CC1)nnc2CNC(=O)c1cccc(F)c1	EMOLS-id_232702422,MCULE-6337259599,PC-id_28071374,ZINC22_19112943	453.532	VQNHQCBGMOSJPK-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-138954
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3OC)O)CCn12	EMOLS-id_20540169,MCULE-9895177480,PC-id_45202685	453.534	PKAJLXJWAIGYNX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138955
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(c(OC)c3)O)CCn12	EMOLS-id_20537001,PC-id_45201962,MCULE-4516753252	453.534	YRYARMDPLMUTCL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138956
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3cc(OC)ccc3O)CCn12	PC-id_45207913,MCULE-6112784104,EMOLS-id_20563039	453.534	TZSNTQDIIMGVQU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138957
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccc(c(OCC)c3)O)CCn12	MCULE-9567212456,EMOLS-id_20554649,PC-id_45205949	453.534	HADBTXAIZUMTLN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138958
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3ccc(c(OCC)c3)OC)CCn12	ZINC22_20778328,PC-id_29151036,EMOLS-id_20512957,CoCoCo_1290048,CoCoCo_1290049,MCULE-5242508644	453.534	UQFMGFAMMLJEAB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138959
C1(NC(=O)CCN(CCOC)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1	MCULE-3563661835,PC-id_46049937,EMOLS-id_25387734	453.534	MNYWHRUVSAMPCU-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-138960
CCN(CCC(=O)N1CCOCC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-3494861628,PC-id_46049636,EMOLS-id_25387542	453.534	UIHKWESONQRMBH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138961
CCOc1cc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)ccc1O	CoCoCo_1350439,CoCoCo_1350438,PC-id_29257236,ZINC22_20997485	453.534	HADBTXAIZUMTLN-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138962
CCOc1cc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)ccc1O	CoCoCo_1350441,CoCoCo_1350440,PC-id_29257235,ZINC22_20997483	453.534	HADBTXAIZUMTLN-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138963
COc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)ccc1O	CoCoCo_1324810,ZINC22_12156326,PC-id_42434752,CoCoCo_1324811	453.534	YRYARMDPLMUTCL-SFHVURJKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138964
COc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)ccc1O	PC-id_42434749,CoCoCo_1324808,CoCoCo_1324809,ZINC22_12156322	453.534	YRYARMDPLMUTCL-GOSISDBHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138965
COc1ccc(O)c(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1	CoCoCo_1362907,ZINC22_12282321,PC-id_42501361,CoCoCo_1362906	453.534	TZSNTQDIIMGVQU-LJQANCHMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138966
COc1ccc(O)c(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1	CoCoCo_1362909,CoCoCo_1362908,PC-id_42501363,ZINC22_12282323	453.534	TZSNTQDIIMGVQU-IBGZPJMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-138967
COc1cc(O)ccc1CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1	CoCoCo_1329438,CoCoCo_1329437,ZINC22_12161144	453.534	PKAJLXJWAIGYNX-LJQANCHMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138968
COc1cc(O)ccc1CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1	CoCoCo_1329440,CoCoCo_1329439,ZINC22_12161150	453.534	PKAJLXJWAIGYNX-IBGZPJMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-138969
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cc(C)c(OC)cc2C)CC3)o1	CoCoCo_1168775,ChEMBL-DNDi_CHEMBL15462037,ZINC22_19746019,CoCoCo_1168774,PC-id_28313568,EMOLS-id_20427283,MCULE-8029955453	453.534	ONGBALYJVHPVRA-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138970
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(OC(C)C)cc2)CC3)o1	PC-id_30852346,CoCoCo_1123885,ZINC22_23128919,EMOLS-id_20394062,MCULE-1381439167,CoCoCo_1123884	453.534	ZQUWXDMYDXMRTQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138971
COCCNC(=O)C1CCCCN1C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_36410413,PC-id_83284151,MCULE-5251608370	453.534	ZDQQXULQXSYNJA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138972
COCCNC(=O)C1CCN(CC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25387500,PC-id_46049473,MCULE-4206100820	453.534	NBDROMVSSGGCDC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138973
COCCNC(=O)[C@@H]1CCCCN1C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_97533140	453.534	ZDQQXULQXSYNJA-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138974
COCCNC(=O)[C@H]1CCCCN1C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_97533141	453.534	ZDQQXULQXSYNJA-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138975
COC(=O)c1ccc(cc1)C(=O)N1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1	EMOLS-id_20572779,ZINC22_14990370,ChEMBL-DNDi_CHEMBL43753370,MCULE-4086935889,CoCoCo_1377465,PC-id_26345086	453.534	BCIMLAIBZSGMCZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138976
O1C(CCC1)CNC(=O)CCNC(=O)c1nn2CCCN(Cc3cc(ccc3)C)C(=O)c2c1	PC-id_42855002	453.534	HSQBBXRPSGFWSG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138977
O1C(CCC1)CNC(=O)CCNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1	PC-id_42855031	453.534	DZIJIQVPPLWUKS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138978
O1C(CCC1)CNC(=O)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_46049711	453.534	RIIBBXRYOOYYKP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138979
O1C(CCC1)CNC(=O)CN(C(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_42855016	453.534	SMECJNUJMUHFTI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138980
O1C(CCC1)CNC(=O)C(NC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_46159934	453.534	AUIMZGIFSPBCOE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138981
O1C(CCC1)CNC(=O)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	MCULE-8409329462,EMOLS-id_25387298,PC-id_46049675	453.534	QRFCKUNHCFSGKK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138982
O1C(CCC1)CNC(=O)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_46049663	453.534	FVENRSRJIHQPGZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138983
O1C(CCC1)CNC(=O)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)C	PC-id_46049722	453.534	QFPRXWXSPFNESM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138984
O1C(CCC1)CNC(=O)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)C	PC-id_46049734	453.534	HLCSJSORESOWMT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138985
O1CCN(C(=O)C(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)C(C)C)CC1	PC-id_46049605	453.534	NJSZIGJPDXVJQC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-138986
O=C(CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C)NC[C@@H]1CCCO1	PC-id_93332240	453.534	QRFCKUNHCFSGKK-IBGZPJMESA-N	00000010100000110101000000000010000000000000000000000000	31-01-138987
O=C(CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C)NC[C@H]1CCCO1	PC-id_93332241	453.534	QRFCKUNHCFSGKK-LJQANCHMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-138988
O=C(N(C1CC1)CCC(=O)NCCOC)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049951	453.534	RJRDVNXVRBVWRO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-138989
COc1ccc(cc1)CCC(=O)N1CCn2c(CC1)cc(n2)C(=O)N1CCC(=C(C1)N)NN	PC-id_144930335	453.537	MNBUIBXMQLYXGD-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-138990
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1nc(sc1)c1ncccn1)C)C#N	PC-id_56109815	453.537	QNMKAVWRPJTGJC-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-138991
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_5565372,PC-id_16799535,CoCoCo_5138228,ChEMBL-DNDi_CHEMBLF2536-1265,MCULE-5724747145,ZINC22_11025909	453.547	AGNXEJPJVHOWAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138992
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1)C(=O)OC	PC-id_41274463	453.547	DQGSDSFJPFMRJX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-138993
CCN1CCC(=O)c2c(C1=O)ccn2CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F	SCHEMBL6995359,PC-id_22011281	453.549	GVBSASQKGMDMBW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-138994
CCN1CCC(=O)c2c(C1=O)n(CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)cc2	SCHEMBL9039482,PC-id_15229772	453.549	ULZPCHREXGPWCT-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-138995
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCCn1cc2c(c1)C(=O)CCN(C2=O)C	PC-id_22011293,SCHEMBL7002278	453.549	LHFJXOIAKJBGJL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-138996
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCCn1ccc2c1C(=O)CCN(C2=O)C	SCHEMBL6997567,PC-id_22011265	453.549	NCDHXDQXDNIGHI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-138997
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCCn1ccc2c1C(=O)N(C)CCC2=O	PC-id_19937396,SCHEMBL9040493	453.549	IPLNMFPYZWIIAN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-138998
Cc1ccc([C@@H](C)CCN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1	CoCoCo_1422599,PC-id_42430443,ZINC22_12150306,CoCoCo_1422601	453.552	FIHLHDVVLTVNQU-SFHVURJKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-138999
Cc1ccc([C@H](C)CCN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1	CoCoCo_1422602,ZINC22_12150307,PC-id_42430445,CoCoCo_1422600	453.552	FIHLHDVVLTVNQU-GOSISDBHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139000
CC(CCN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1)c1ccc(C)o1	EMOLS-id_20602991,MCULE-6918534612,PC-id_45217278,ChEMBL-DNDi_CHEMBL51450784	453.552	FIHLHDVVLTVNQU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139001
Fc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)N1CCC(CC1)N1CCCCC1	MCULE-6857396374,PC-id_53007955,EMOLS-id_32632898	453.552	RJHYEGOIAMSBSR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139002
Fc1ccc(CN2CCCn3nc(C(=O)N4CCC(N5CCCCC5)CC4)cc3C2=O)cc1	PC-id_53007947	453.552	MECACLQILDRJBB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139003
O=C(Cc1ccc(cc1)OCc1c(C)onc1C)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_45840297,MCULE-3425059059,CoCoCo_3430032,EMOLS-id_43872947	453.554	IYCNNMQBFXFICH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139004
O=C(CSc1nnc2n1CCCCC2)N1CCN(S(=O)(=O)c2ccccc2F)CC1	EMOLS-id_43952069,MCULE-5636172812,CoCoCo_4054279,PC-id_16368184,ZINC22_9882133	453.554	LQAHDFFMPYIQLJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139005
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1c(n(n(c1=O)c1ccccc1)C)C)C	PC-id_16509377	453.554	CVTKVEITWGNCHY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139006
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1c(n(n(c1=O)c1ccccc1)C)C)C	PC-id_26417932	453.554	CVTKVEITWGNCHY-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139007
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1c(n(n(c1=O)c1ccccc1)C)C)C	PC-id_26417933	453.554	CVTKVEITWGNCHY-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139008
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)N1N=C(CC1)c1ccccc1)C(=O)OC	PC-id_52638578	453.554	RKWHACFFHHWBQV-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-139009
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(NC(=O)C(C)(C)C)ccc1)C#N	PC-id_36167911	453.554	ZBZKNHXFVXFVAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139010
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CC(NC(=O)c1ccccc1)C)C)C#N	PC-id_55425254	453.554	HYYOXWKYKHCJEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139011
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1c(n(n(c1=O)c1ccccc1)C)C	PC-id_16512679	453.554	RWVAMTWVMRGZGX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139012
O=C(c1ccccc1c1ccccc1)Nc1ccc(cn1)C(=O)N1CCCCc2c1ccs2	SCHEMBL6986830,PC-id_21467157	453.555	XTLSHIKBZMGFHH-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-139013
O=C(c1ccccc1c1ccccc1)Nc1ccc(nc1)C(=O)N1CCCCc2c1ccs2	PC-id_139710013	453.555	AZSNNCVGGHZIDA-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-139014
COc1cc(CN2CCc3n(CC2)c(nn3)[C@H](C(C)C)NS(=O)(=O)C)cc(c1O)OC	CoCoCo_1604497,CoCoCo_1604498,PC-id_26353284	453.556	VWSTYJFKPDAUNI-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139015
COc1cc(CN2CCc3n(CC2)c(nn3)[C@@H](C(C)C)NS(=O)(=O)C)cc(c1O)OC	PC-id_26353288,CoCoCo_1604495,CoCoCo_1604496	453.556	VWSTYJFKPDAUNI-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139016
COc1cc(CN2CCc3nnc(CNS(=O)(=O)C(C)C)n3CC2)cc(OC)c1OC	EMOLS-id_20391990,PC-id_42213852,CoCoCo_1121144,ChEMBL-DNDi_CHEMBL10558916,ZINC22_11841865,MCULE-5667860406,CoCoCo_1121143	453.556	QLMIJZXQPSXQLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139017
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNS(=O)(=O)c1sccc1)C#N	PC-id_46403726	453.556	DKQJXVKAFBQNEC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-139018
s1c2CCCCCc2c(c1NC(=O)CSc1nc([nH]n1)/C=C/c1ccc(F)cc1)C#N	PC-id_16620126	453.556	AQKFBUGLMHMHLY-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139019
s1c2CCCCCc2c(c1NC(=O)CSc1nc([nH]n1)C=Cc1ccc(F)cc1)C#N	PC-id_73282614	453.556	AQKFBUGLMHMHLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139020
S(=O)(=O)(NC(c1n2CCN(CCc2nn1)Cc1cc(OC)c(O)c(OC)c1)C(C)C)C	PC-id_45246003	453.556	VWSTYJFKPDAUNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139021
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(C(=O)CSc3ccccc3)CCn12	MCULE-6291402247,EMOLS-id_20517071,PC-id_45197338	453.557	LZWQNEYXWBPSIC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139022
c1(NC(=O)CCC(=O)Nc2sc3c(CCCCC3)n2)c(C)n(n(c2ccccc2)c1=O)C	MCULE-1628479510,EMOLS-id_335104858	453.557	DQQRVYFQUBWERG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139023
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3nnc4n3CCCCC4)cc2)c1	EMOLS-id_17156031,PC-id_24230913,MCULE-5236541343,CoCoCo_4480640,ZINC22_10657502	453.557	VWGYIRYNYNKFEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139024
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCc3nnc4n3CCCCC4)cc2)c1C	CoCoCo_4480638,PC-id_24234021,EMOLS-id_17166243,MCULE-3288743912,ZINC22_10657497	453.557	HODGSFGUDATUFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139025
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3nnc4n3CCCCC4)cc2)cc1C	MCULE-7925618430,PC-id_41598963,CoCoCo_4480637,EMOLS-id_15264830,ZINC22_10657494	453.557	XUHLEVCVFRJFSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139026
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3nnc4n3CCCCC4)ccc2C)cc1	PC-id_24250037,MCULE-3590002252,CoCoCo_4561653,ZINC22_14485229,EMOLS-id_44040431	453.557	JNYQKNJECMTCMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139027
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)CSc1ccccc1)CC2	CoCoCo_1295840,ZINC22_12000977	453.557	LZWQNEYXWBPSIC-OAQYLSRUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139028
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)CSc1ccccc1)CC2	CoCoCo_1295841,ZINC22_12000984	453.557	LZWQNEYXWBPSIC-NRFANRHFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139029
CCCN(Cc1nnc(c2ccco2)o1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4229563,CoCoCo_4229561,ZINC22_9739177,PC-id_41192692	453.557	QZAURQFRPNFPMJ-HNNXBMFYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139030
CCCN(Cc1nnc(c2ccco2)o1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9739184,CoCoCo_4229562,CoCoCo_4229560,PC-id_41192695	453.557	QZAURQFRPNFPMJ-OAHLLOKOSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139031
CCCN(C(C(=O)Nc1sc2c(c1C#N)CCCCC2)C)Cc1nnc(o1)c1ccco1	PC-id_16351849,MCULE-8176673545,EMOLS-id_3695709	453.557	QZAURQFRPNFPMJ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139032
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C#N	PC-id_31341373	453.557	OEEYCJBXHRTJOE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139033
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)c1c([N+](=O)[O-])cccc1)C#N	PC-id_38062690	453.557	BXUKAQUXGTYPPU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139034
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CCN(CC1)c1c([N+](=O)[O-])cccc1)C)C#N	PC-id_26300653	453.557	CGAZHRNAVUUWEW-MRXNPFEDSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139035
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)c1c([N+](=O)[O-])cccc1)C)C#N	PC-id_26300655	453.557	CGAZHRNAVUUWEW-INIZCTEOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139036
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C)C#N	PC-id_55430784	453.557	OHMQZLHCVCRSMW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139037
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)c1cc([N+](=O)[O-])ccc1)C)C#N	PC-id_55842468	453.557	FYGSZIVDIKSXRI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139038
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)c1c([N+](=O)[O-])cccc1)C)C#N	PC-id_24506759	453.557	CGAZHRNAVUUWEW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139039
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C1CCN(CC1)c1ncccn1)C)C#N	PC-id_55999384	453.557	XBZLXKSQRXPSEQ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-139040
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C#N	PC-id_22198545	453.557	MQLSRLNEFWXHCH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139041
S(=O)(=O)(Nc1ccc(cc1)C)c1cc(C(=O)NCc2n3CCCCCc3nn2)c(cc1)C	PC-id_24676654	453.557	IIRPQENZGFTNGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139042
S(=O)(=O)(Nc1cc(ccc1)C)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55501290	453.557	BDYFXTMUNOAVHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139043
S(=O)(=O)(NCc1ccccc1)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_60361171	453.557	QBPJCMMKVUMWLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139044
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)c1cccnc1	PC-id_74798902	453.559	WKJQEXUBNVOJRD-UHFFFAOYSA-O	00000000100000111101100000000010000000000000000000000000	31-01-139045
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)c1ncccc1	PC-id_42396996	453.559	QINOTRUZPQIMIL-UHFFFAOYSA-O	00000000100000111101100000000010000000000000000000000000	31-01-139046
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)c1ncccc1	PC-id_42398021	453.559	GOCAFCABRZWSMH-UHFFFAOYSA-O	00000000100000111101100000000010000000000000000000000000	31-01-139047
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)c1cccnc1	PC-id_42357188	453.559	WKJQEXUBNVOJRD-HXUWFJFHSA-O	00000000100000111101100000000010000000000000000000000000	31-01-139048
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)c1cccnc1	PC-id_42357193	453.559	WKJQEXUBNVOJRD-FQEVSTJZSA-O	00000000100000111101100000000010000000000000000000000000	31-01-139049
CC(c1ccccc1)NS(=O)(=O)C=Cc1n[nH]c2c1CCCCC2Cc1cc(ccc1)F	PC-id_90729234	453.572	ZJNQGLZHOIOWFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139050
CC(c1ccccc1)NS(=O)(=O)C=Cc1n[nH]c2c1CCCCC2Cc1ccc(cc1)F	PC-id_90755154	453.572	YVKHCPJFKYFTQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139051
Fc1cccc(c1)CC1CCCCc2c1[nH]nc2C=CS(=O)(=O)N[C@@H](c1ccccc1)C	PC-id_66614786,SCHEMBL176578	453.572	ZJNQGLZHOIOWFU-ITUIMRKVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139052
Fc1cccc(c1)CC1CCCCc2c1[nH]nc2/C=C/S(=O)(=O)N[C@H](c1ccccc1)C	SCHEMBL176472,PC-id_58882629	453.572	ZJNQGLZHOIOWFU-PTULCPQNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139053
Fc1ccc(cc1)CC1CCCCc2c1[nH]nc2/C=C/S(=O)(=O)N[C@H](c1ccccc1)C	SCHEMBL176561,PC-id_58882614	453.572	YVKHCPJFKYFTQR-NLYRQODGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139054
Fc1cccc(c1)C[C@H]1CCCCc2c1[nH]nc2/C=C/S(=O)(=O)N[C@H](c1ccccc1)C	BindingDB_PC-id_25070947,PC-id_25070947,SCHEMBL300529	453.572	ZJNQGLZHOIOWFU-SGERCBKXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139055
Fc1cccc(c1)C[C@@H]1CCCCc2c1[nH]nc2/C=C/S(=O)(=O)N[C@H](c1ccccc1)C	SCHEMBL13745252,PC-id_58882538	453.572	ZJNQGLZHOIOWFU-RDKOQUGISA-N	00000000100000110101000000000010000000000000000000000000	31-01-139056
S(=O)(=O)(N[C@@H](c1ccccc1)C)/C=C/c1n[nH]c2C(CCCCc12)Cc1cc(F)ccc1	PC-id_58882542	453.572	ZJNQGLZHOIOWFU-ZMBPRGCWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139057
CSc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1	CoCoCo_1363342,ZINC22_23337469,PC-id_31015656,CoCoCo_1363341,EMOLS-id_20563339,MCULE-6126200718,ChEMBL-DNDi_CHEMBL41468299	453.575	HODKHBLZFHOJEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139058
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])C)CC)C(=O)OCC	PC-id_53293009	453.575	DSQFZEYQONKHDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139059
s1c2CCCCCCc2nc1NC(=O)CCNS(=O)(=O)c1cc(OC)c(OC)cc1	PC-id_56022751	453.575	OTVIIRFRKSTKRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139060
S1(=O)(=O)CC(N2CC(CC2=O)C(=O)NNC(=O)c2sc3CCCCCCc3c2)CC1	PC-id_43066272	453.575	PUTAMHPOLOYMEC-UHFFFAOYSA-N	00000010100000000100100000000010000000000000000000000000	31-01-139061
S(=O)(=O)(N1CCC(CC1)C(=O)OC(C(=O)Nc1sc2CCCCCc2c1C#N)C)C	PC-id_16607018	453.575	ANFWZRJKMLEQNR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-139062
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(CCn12)C(=O)C1CCOC1	MCULE-7047026843,ChEMBL-DNDi_CHEMBL83063265,EMOLS-id_20705589,PC-id_45241925	453.577	NBCZBFLGQNPIEI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139063
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccccc3OCC=C)CCn12	MCULE-3674293756,EMOLS-id_20597569,PC-id_45215950	453.577	QNKBLAUYAPDYDS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139064
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(CC=Cc3ccccc3OC)CCn12	PC-id_74781411,MCULE-8850967724	453.577	FQVLELOTJWUMOB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139065
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(C(=O)[C@@H]2CCOC2)CC3)c1	CoCoCo_1578815,PC-id_26343202,ZINC22_14988667	453.577	NBCZBFLGQNPIEI-TZIWHRDSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139066
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(C(=O)[C@H]2CCOC2)CC3)c1	CoCoCo_1578816,ZINC22_14988672,PC-id_26343206	453.577	NBCZBFLGQNPIEI-FPOVZHCZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139067
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(C(=O)[C@@H]2CCOC2)CC3)c1	PC-id_26343203,ZINC22_14988669,CoCoCo_1578817	453.577	NBCZBFLGQNPIEI-CTNGQTDRSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139068
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(C(=O)[C@H]2CCOC2)CC3)c1	PC-id_26343205,CoCoCo_1578814,ZINC22_14988671	453.577	NBCZBFLGQNPIEI-PZJWPPBQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139069
CC(C)CCNC(=O)C(NC(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1)C(C)C	EMOLS-id_25387596,MCULE-5060923953,PC-id_46049602	453.577	UOEKBHZDDNSBDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139070
CCC(C)NC(=O)CCN(CC)C(=O)c1cc2C(=O)N(Cc3ccccc3C)CCCn2n1	MCULE-6702906383,PC-id_46050058,EMOLS-id_25388246	453.577	JAOZMHOUHIDTNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139071
CC([C@H](C(=O)NCCC(C)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332370	453.577	UOEKBHZDDNSBDD-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139072
CC([C@@H](C(=O)NCCC(C)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332371	453.577	UOEKBHZDDNSBDD-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139073
CC[C@H](NC(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1C)CC)C	PC-id_93332526	453.577	JAOZMHOUHIDTNC-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139074
CC[C@@H](NC(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1C)CC)C	PC-id_93332527	453.577	JAOZMHOUHIDTNC-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-139075
CCCNC(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CC(C)C	MCULE-9215700232,PC-id_46049922,EMOLS-id_25387440	453.577	NBBCHWASUGIMFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139076
C=CCOc1ccccc1CN1CCc2nnc([C@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	CoCoCo_1414467,ZINC22_12148914,CoCoCo_1414469	453.577	QNKBLAUYAPDYDS-NZQKXSOJSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139077
C=CCOc1ccccc1CN1CCc2nnc([C@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	CoCoCo_1414470,ZINC22_12148912,CoCoCo_1414468	453.577	QNKBLAUYAPDYDS-NFBKMPQASA-N	00000010100000110101000000000010000000000000000000000000	31-01-139078
C=CCOc1ccccc1CN1CCc2nnc([C@@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	CoCoCo_1414473,CoCoCo_1414471,ZINC22_12148915	453.577	QNKBLAUYAPDYDS-REWPJTCUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139079
C=CCOc1ccccc1CN1CCc2nnc([C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	CoCoCo_1414474,CoCoCo_1414472,ZINC22_12148913	453.577	QNKBLAUYAPDYDS-OFNKIYASSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139080
CCN(CC)C(=O)CCN(CC)C(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	PC-id_46049704,MCULE-1643937111,EMOLS-id_25388430	453.577	QTQXETNQNSZXSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139081
COc1ccccc1/C=CCN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)[C@@H]1COCC1	CoCoCo_1116680,CoCoCo_1116678	453.577	FQVLELOTJWUMOB-XFHSDCOCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139082
COc1ccccc1/C=CCN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)[C@H]1COCC1	CoCoCo_1116684,CoCoCo_1116682	453.577	FQVLELOTJWUMOB-LWEKNIESSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139083
COc1ccccc1/C=C/CN1CCc2nnc([C@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	CoCoCo_1116679,ZINC22_105265600,CoCoCo_1116681,PC-id_98648333	453.577	FQVLELOTJWUMOB-ACEFXKBSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139084
COc1ccccc1/C=C/CN1CCc2nnc([C@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	CoCoCo_1116685,CoCoCo_1116683,PC-id_42210687,ZINC22_11839143	453.577	FQVLELOTJWUMOB-SLMGFHIASA-N	00000010100000110101000000000010000000000000000000000000	31-01-139085
COc1ccccc1/C=C/CN1CCc2nnc([C@@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	ZINC22_105265604,PC-id_98648334	453.577	FQVLELOTJWUMOB-NRFQZDPCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139086
COc1ccccc1/C=C/CN1CCc2nnc([C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	ZINC22_11839141,PC-id_42210684	453.577	FQVLELOTJWUMOB-IPXVJXLASA-N	00000010100000110101000000000010000000000000000000000000	31-01-139087
COc1ccccc1/C=C/CN1CCc2nnc(C(NC(=O)C3CCOC3)C(C)C)n2CC1	PC-id_45167772,EMOLS-id_25987309	453.577	FQVLELOTJWUMOB-SOFGYWHQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139088
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)/C=C/c2cccs2)c1	ZINC22_2055785084,EMOLS-id_313790776	453.577	BHRXSKLOVIBRGC-BQYQJAHWSA-N	00000000100100110101000000000010000000000000000000000000	31-01-139089
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)/C=C/c2cccs2)cc1	EMOLS-id_313790775,ZINC22_2055785498	453.577	YICPDCPQGOYZKZ-CMDGGOBGSA-N	00000000100100110101000000000010000000000000000000000000	31-01-139090
CSCC[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	PC-id_1596063,ZINC22_1814077	453.577	HCHGMYGLSQCNPW-SFHVURJKSA-N	00000010100000100100000000001010000000000000000000000000	31-01-139091
CSCC[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O	PC-id_1596064,ZINC22_1814078	453.577	HCHGMYGLSQCNPW-GOSISDBHSA-N	00000010100000100100000000001010000000000000000000000000	31-01-139092
CSCCC(N1C(=O)c2c(C1=O)cccc2)C(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-1234774416,STOCK2S-37829,EMOLS-id_4438025,PC-id_4254158	453.577	HCHGMYGLSQCNPW-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-139093
N#Cc1c(NC(=O)COC(=O)CCCc2nc3ccccc3s2)sc2c1CCCCC2	PC-id_5201229,ZINC22_9119374,CoCoCo_3076528,MCULE-1040482132,EMOLS-id_3369526	453.577	HVGJPQRMLVYPKK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139094
O=C1N(C(C(C1)C(=O)NCCc1n2CCCCCc2nn1)c1ccc(OC)cc1)CCCC	PC-id_55535778	453.577	SNJHKDHXNWEPFU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-139095
O=C1N(CCCn2nc(cc12)C(=O)N(CC(C)C)CCC(=O)NC(C)C)Cc1ccccc1	PC-id_42855064	453.577	HVYUSESRTCDASO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139096
O=C1N(CCCn2nc(cc12)C(=O)N(CC(C)C)CCC(=O)N(CC)C)Cc1ccccc1	PC-id_46159906	453.577	RWNGJMHLEPCHJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139097
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NCC(C)C)Cc1ccccc1	PC-id_46049896	453.577	BSFZKUSPMSLWRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139098
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC)C)Cc1ccccc1	PC-id_46049900	453.577	MCZVPSVRIWHNHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139099
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)N(CC)CC)CC)Cc1cc(ccc1)C	PC-id_46049753	453.577	YWWMIBPUBBJVDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139100
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)N(CC)CC)CC)Cc1c(cccc1)C	PC-id_46049783	453.577	IVBUHAPRGRZYIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139101
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCC(C)C)CC)Cc1ccc(cc1)C	PC-id_46049971	453.577	AFKZMQWFGZNGRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139102
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NC(CC)C)CC)Cc1ccc(cc1)C	PC-id_46049976	453.577	MDHGYWBERRYQOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139103
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCC(C)C)CC)Cc1cc(ccc1)C	PC-id_46050018	453.577	AEYIFHMJHXOQHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139104
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NC(CC)C)CC)Cc1cc(ccc1)C	PC-id_46050023	453.577	KZGLOEOKTFDKOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139105
CC(C)c1cccc2-c(c(cc2CCCCCCNS(=O)(=O)c2ccccc2)C(=O)O)c1	SCHEMBL9628466,CHEMBL167711,PC-id_10366662	453.594	LRDDJXRODYIBCZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139143
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCC(C)C)CC)Cc1c(cccc1)C	PC-id_46050054	453.577	LGWHPPKINURFDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139106
O=C1N(CCCn2nc(C(=O)N(C(CC)C)CCC(=O)N(CC)C)cc12)Cc1ccccc1	PC-id_42854967	453.577	ROMGHZIGTKZHHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139107
O=C(N1C(CCCC1C)C)COc1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55534715	453.577	JGDWXAQOWUCFII-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139108
s1c2c(CCCCC2)c(c1NC(=O)CN1CC[NH+](CC1)Cc1cc2OCOc2cc1)C#N	PC-id_51610501	453.577	SQKKQYIAUWGXEG-UHFFFAOYSA-O	00000010100010100101000000001010000000000000000000000000	31-01-139109
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)c1c(sc(c1)C)C	PC-id_56128257	453.579	UUWXTNNLXUFZIW-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-139110
COc1ccc(c2n[nH]c(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2)cc1	CoCoCo_4179432,CoCoCo_4179428,PC-id_41213813,CoCoCo_4179434,CoCoCo_4179430,ZINC22_9788874	453.58	TZWWKGHKFIEDCT-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139111
COc1ccc(c2n[nH]c(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2)cc1	PC-id_41213812,CoCoCo_4179431,CoCoCo_4179433,CoCoCo_4179427,ZINC22_9788873,CoCoCo_4179429	453.58	TZWWKGHKFIEDCT-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139112
COc1ccc(cc1)c1nnc([nH]1)SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	EMOLS-id_11771639,PC-id_16333089,MCULE-8232420902	453.58	TZWWKGHKFIEDCT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139113
COc1ccccc1c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1C	PC-id_2084540,MCULE-3957844403,GD-id_ZINC02622609,CoCoCo_3054541,EMOLS-id_43768234,ZINC22_2622609	453.58	GSDJSKSDBBPBIY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139114
COc1cccc(c1)n1cnnc1SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	MCULE-5929855005,PC-id_16333088,EMOLS-id_11771637	453.58	KJBAWZIMELBKKC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139115
COc1ccccc1n1cnnc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4178951,PC-id_41213808,ZINC22_9788869	453.58	FEXRUBNKKRHGIP-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139116
COc1ccccc1n1cnnc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9788870,PC-id_41213809,CoCoCo_4178950	453.58	FEXRUBNKKRHGIP-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139117
COc1cccc(n2cnnc2S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	CoCoCo_4179336,ZINC22_9788872,PC-id_41213811	453.58	KJBAWZIMELBKKC-CQSZACIVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139118
COc1cccc(n2cnnc2S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	ZINC22_9788871,PC-id_41213810,CoCoCo_4179337	453.58	KJBAWZIMELBKKC-AWEZNQCLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139119
N#Cc1c(NC(=O)C(Sc2nncn2c2ccccc2OC)C)sc2c1CCCCC2	MCULE-6577860108,PC-id_16333086,EMOLS-id_43973931	453.58	FEXRUBNKKRHGIP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139120
O=C(N1CC(CCC1)CN1CCN(CC1)c1ncccc1)Cn1nc2n(CCCCC2)c1=O	PC-id_56243434	453.58	USSNUPRBXPYTQE-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-139121
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(cc1)CNC(=O)NC(C)C	PC-id_46534033	453.58	OMJQUVSHRNBBDP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139122
O=S(=O)(NCc1nnc2CCN(Cc3cc4ccccc4s3)CCn12)c1ccccc1	EMOLS-id_20453079,CoCoCo_1204565,PC-id_28732705,ZINC22_20203896,CoCoCo_1204564,MCULE-3041575221	453.58	GWXRJMMCXDKZQJ-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-139123
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1ncc(cc1)C(=O)N)C)C#N	PC-id_40155210	453.58	VWGIEMJNFSSKGW-OAHLLOKOSA-O	00000000100010101101100000000010000000000000000000000000	31-01-139124
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1ncc(cc1)C(=O)N)C)C#N	PC-id_40155212	453.58	VWGIEMJNFSSKGW-HNNXBMFYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-139125
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1ncc(cc1)C(=O)N)C)C#N	PC-id_74676471	453.58	VWGIEMJNFSSKGW-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-139126
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(Cc2ccccc2)c(=O)[nH]n1)C)C#N	PC-id_24497305	453.58	LCSHIPPEYGEXQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139127
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCc2ccccc2)c(=O)[nH]n1)C#N	PC-id_32292399	453.58	TUNPYJYTTKNPOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139128
s1c2CCCCCc2c(c1NC(=O)C(Sc1nc([nH]n1)/C=C/c1oc(cc1)C)C)C#N	PC-id_24619395	453.58	OFCQGTISWASGIK-ZHACJKMWSA-N	00000000101000000101000000000010000000000000000000000000	31-01-139129
s1c2CCCCCc2c(c1NC(=O)C(Sc1nc([nH]n1)C=Cc1oc(cc1)C)C)C#N	PC-id_74304508	453.58	OFCQGTISWASGIK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-139130
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)C)C#N	PC-id_19730737	453.58	XMOIJJLCPFPOHU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139131
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)C)C#N	PC-id_17301673	453.58	FWOTYGCYTAISCZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139132
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)CC=C)C#N	PC-id_19726225	453.58	MHIRIDLMZJINIU-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139133
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(c(nn1)c1occc1)CC=C)C)C#N	PC-id_55504904	453.58	IHENLPUWAGWGPF-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139134
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)C)C#N	PC-id_19733171	453.58	WXRINAXBVDLTFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139135
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1occc1)CC=C)C#N	PC-id_19724270	453.58	JIGHJQNDRXSIQX-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139136
S(c1n(c(nn1)C1CC1)Cc1occc1)CC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_24378343	453.58	JPXHHIVVTQEOAM-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-139137
CCOC(=O)C(C(c1cc(c2-c1c(C)ccc(c2)C(C)C)C)NS(=O)C(C)(C)C)(F)F	PC-id_101363851	453.586	RHEOHYVRNWKBOJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-139138
CCC1CCc2nc(n(c2C(=O)CCC(C1=O)C)Cc1ccc(cc1)F)NC1CCCCC1	PC-id_143302305	453.592	KLLUUOXSIPJLCB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139139
c1(NC(=O)c2cc3c(cccc3)o2)sc2c(CCCCCCCCCC2)c1C(=O)OCC	TIMTEC159983,EMOLS-id_6766595,ZINC22_3669026,CoCoCo_1948060,PC-id_3301112,MCULE-6915169964	453.594	FYCGLVQETLTVGW-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-139140
CCc1ccccc1S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	SCHEMBL9627795,PC-id_19914786	453.594	FVPUJMDZBQUIFL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139141
CC(C)c1ccc2-c(c(cc2CCCCCCNS(=O)(=O)c2ccccc2)C(=O)O)cc1	PC-id_10434083,CHEMBL166506,SCHEMBL9627888	453.594	DJNULGZZMKGCAG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139142
CCN(S(=O)(=O)c1ccccc1)CCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	SCHEMBL9627797,PC-id_15020236	453.594	CVLCRENCNVPDHA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139144
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCCNS(=O)(=O)c1ccccc1C	PC-id_67895364,SCHEMBL9627869	453.594	ORTWAMCLVKKSFH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139145
COC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCCN(S(=O)(=O)c1ccccc1)C	SCHEMBL9627876,PC-id_54093951	453.594	MVTZYYXBMLVEMF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139146
COC(=O)c1c(C(C)C)c(c2-c1ccccc2)CCCCN(S(=O)(=O)c1ccccc1)C	PC-id_139607768	453.594	XKGOOFNVDGTIDV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139147
OC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CC(CCNS(=O)(=O)c1ccccc1)(C)C	PC-id_19914791,SCHEMBL9626876	453.594	HZPMHYFSBNXVHH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139148
OC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCC(CNS(=O)(=O)c1ccccc1)(C)C	PC-id_19914796,SCHEMBL9627044	453.594	VFSJSKDZUSRAMI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139149
S(=O)(=O)(NCCCCCc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2)c1ccccc1	PC-id_10072625	453.594	IMGGVZMIMBLJIZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139150
S(=O)(=O)(NCCCCCc1c2-c(c(c1)C(=O)OC)cc(C(C)C)ccc2)c1ccccc1	PC-id_9981371	453.594	WGGSWCJOZHWVFE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139151
S(=O)(=O)(NCCCCCCCCc1c2-c(c(c1)C(=O)OC)ccccc2)c1ccccc1	PC-id_10366661	453.594	YKXQXKUACPDXNL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139152
CC(CN1CCC(CC1)S(=O)c1ccc(cc1)CNC(=O)c1cc2c(o1)CC=NC=C2)C	PC-id_145628900	453.597	CUSHGLZRUIZIBW-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-139153
O=C(C1CCN(CC1)C(=O)c1ccccc1C)NNC(=O)c1sc2c(c1)CCCCCC2	CoCoCo_3415947,MCULE-6711059901,PC-id_25443601,EMOLS-id_15267261	453.597	BGZSDPIPSCSJSX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139154
s1c2c(CCCCC2)c(c1NC(=O)CCN(C1CC1)Cc1c(OC)ccc(OC)c1)C#N	PC-id_34980000	453.597	FFQNGDKARMPPSR-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-139155
NC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2cccs2)sc2CCCCCc12	PC-id_16800103,EMOLS-id_5605759,MCULE-5245658271	453.599	FHLXLSDGIOAXEN-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-139156
NC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc2c1CCCCC2	CoCoCo_5174933,ZINC22_10187015,PC-id_41397922	453.599	FHLXLSDGIOAXEN-ZDUSSCGKSA-N	00000010100100000100000000000010000000000000000000000000	31-01-139157
NC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)sc2c1CCCCC2	ZINC22_10187014,PC-id_41397921,CoCoCo_5174932	453.599	FHLXLSDGIOAXEN-CYBMUJFWSA-N	00000010100100000100000000000010000000000000000000000000	31-01-139158
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)N)cc1)C(=O)OCC	PC-id_20414201	453.599	NNWCDGOIBMMKNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139159
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NC)cc1)C(=O)OC	PC-id_19680138	453.599	YVDIJPQQTBPHOU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139160
s1c2c(CCCCC2)c(c1NC(=S)NCc1ccc(S(=O)(=O)N)cc1)C(=O)OC	PC-id_19649499	453.599	VKSGUBFLZMRDLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139161
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)N)cc1)C(=O)OC	PC-id_20414195	453.599	QCRIKVIBSLTIMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139162
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3)SC)CCn12	PC-id_45199801,EMOLS-id_20527809,ChEMBL-DNDi_CHEMBL33577194,MCULE-8294121947	453.6	GLPFOBMLPMWBSH-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139163
CC(C(c1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL83536450,PC-id_45167354	453.6	UVTVLVQCAVZFGF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139164
CCOc1ccccc1CN(C(=O)Nc1nc2c(s1)CCCCC2)CCCn1cncc1	PC-id_112825156	453.6	HPQIGMHGIDJJPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139165
COCc1nccc([C@@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1	PC-id_52506423,ZINC22_58174846	453.6	KIABQCCNKUEZKI-QGZVFWFLSA-N	00000000100010100101100000000010000000000000000000000000	31-01-139166
COCc1nccc([C@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1	PC-id_52506425,ZINC22_58174848	453.6	KIABQCCNKUEZKI-KRWDZBQOSA-N	00000000100010100101100000000010000000000000000000000000	31-01-139167
COCc1nccc(n1)C1CCCN(C1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-2741171223,PC-id_47058681,EMOLS-id_32040750	453.6	KIABQCCNKUEZKI-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-139168
CSc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1	PC-id_42417648,CoCoCo_1311558,ZINC22_12122602,CoCoCo_1311559	453.6	GLPFOBMLPMWBSH-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139169
CSc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1	PC-id_42417651,CoCoCo_1311560,ZINC22_12122610,CoCoCo_1311561	453.6	GLPFOBMLPMWBSH-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139170
O1CCC(CC1)C(=O)NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N2CCCC2)cc1)C	PC-id_74807798	453.6	NLOVSNWSKXRESJ-UHFFFAOYSA-O	00000010100010110101100000000010000000000000000000000000	31-01-139171
O1CCC(CC1)C(=O)N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N2CCCC2)cc1)C	PC-id_42485509	453.6	NLOVSNWSKXRESJ-LJQANCHMSA-O	00000010100010110101100000000010000000000000000000000000	31-01-139172
O1CCC(CC1)C(=O)N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N2CCCC2)cc1)C	PC-id_42485511	453.6	NLOVSNWSKXRESJ-IBGZPJMESA-O	00000010100010110101100000000010000000000000000000000000	31-01-139173
S(=O)(=O)(N[C@@H](c1n2CCN(CCc2nn1)Cc1ccc(cc1)c1ccccc1)C(C)C)C	PC-id_42418594	453.6	UVTVLVQCAVZFGF-HSZRJFAPSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139174
S(=O)(=O)(N[C@H](c1n2CCN(CCc2nn1)Cc1ccc(cc1)c1ccccc1)C(C)C)C	PC-id_42418602	453.6	UVTVLVQCAVZFGF-QHCPKHFHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139175
CCCCCCCCCOC(=O)C1CCCCn2c1cc(c2C(=O)c1ccccc1OC)C	PC-id_70536281,SCHEMBL11201937	453.614	MYGUCLZOHHQUBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139176
CC(=O)OC1CCCCCCCCCCCCc2c1[nH]c(c2C)C(=O)OCc1ccccc1	PC-id_101443387	453.614	CMDSYHKJPWMZKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139177
O=C(N(C1CCS(=O)(=O)C1)C1CCCCC1)COC(=O)c1cc2c(s1)CCCCC2	MCULE-1048083425,PC-id_16264696,EMOLS-id_43413610	453.615	QFLHJYXZVDYALY-UHFFFAOYSA-N	00000010100010000100000000000010000000000000000000000000	31-01-139178
O=C(OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCC2	CoCoCo_2861446,PC-id_25692227,ZINC22_13057817	453.615	QFLHJYXZVDYALY-SFHVURJKSA-N	00000010100010000100000000000010000000000000000000000000	31-01-139179
O=C(OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCC2	CoCoCo_2861447,PC-id_25692226,ZINC22_13057815	453.615	QFLHJYXZVDYALY-GOSISDBHSA-N	00000010100010000100000000000010000000000000000000000000	31-01-139180
S1(=O)(=O)C[C@H](N(C2CCCC2)C(=O)COC(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_42243072	453.615	STFVSKCEDLSCQS-GOSISDBHSA-N	00000010100000000100000000000010000000000000000000000000	31-01-139181
COc1c(Br)cc(cc1Br)Cc1c(O)n(C)ccc2-c1nc(=N)n2	SCHEMBL14045103	454.116	URJVYWXPJAEEQZ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-139256
S1(=O)(=O)C[C@@H](N(C2CCCC2)C(=O)COC(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_42243073	453.615	STFVSKCEDLSCQS-SFHVURJKSA-N	00000010100000000100000000000010000000000000000000000000	31-01-139182
S1(=O)(=O)CC(N(C2CCCC2)C(=O)COC(=O)c2sc3c(CCCCCC3)c2)CC1	PC-id_24470439	453.615	STFVSKCEDLSCQS-UHFFFAOYSA-N	00000010100000000100000000000010000000000000000000000000	31-01-139183
CC1CCCCCCCCc2cc1c([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	PC-id_135767911,SCHEMBL3879323	453.618	VMHPLDRLAILDFT-CEUNXORHSA-N	00000011110000110100100000000010000000000000000000000000	31-01-139184
CCCC1CCCCCCc2cc1c([nH]2)C=c1c(cc(=C2C=CC=N2)[nH]1)OCc1ccccc1	PC-id_87588447	453.618	UQLWLLNXNJWOQK-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-139185
CCCC1CCCCCCc2cc1c([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	PC-id_135767908	453.618	WWFXKSSILARBRA-CEUNXORHSA-N	00000011110000110100100000000010000000000000000000000000	31-01-139186
CCCC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	PC-id_136414749,SCHEMBL3874327	453.618	WWFXKSSILARBRA-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-139187
O(c1/c(=C/c2[nH]c3CCCCCCC(c2c3)CCC)/[nH]/c(=C/2N=CC=C2)/c1)Cc1ccccc1	PC-id_18177019	453.618	UQLWLLNXNJWOQK-ZHPYMKRQSA-N	00000011110000110100100000000010000000000000000000000000	31-01-139188
O(c1/c(=C/c2[nH]c3CCCCCCC(c2c3)CCC)/[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68825393	453.618	UQLWLLNXNJWOQK-KQJRDZLCSA-N	00000011110000110100100000000010000000000000000000000000	31-01-139189
O(c1/c(=C/c2[nH]c3CCCCCCCCC(c2c3)C)/[nH]/c(=C/2N=CC=C2)/c1)Cc1ccccc1	PC-id_18177031	453.618	RBFIWRVQIQITBY-ZHPYMKRQSA-N	00000011110000110100100000000010000000000000000000000000	31-01-139190
O(c1/c(=C/c2[nH]c3CCCCCCCCC(c2c3)C)/[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68824530	453.618	RBFIWRVQIQITBY-KQJRDZLCSA-N	00000011110000110100100000000010000000000000000000000000	31-01-139191
O(c1c(=Cc2[nH]c3CCCCCCCCC(c2c3)C)[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68824533	453.618	RBFIWRVQIQITBY-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-139192
CS(=O)(=O)N1CCCC1C(=O)Nc1c(c2c(s1)CCCCC2)C(=O)N1CCCCC1	PC-id_89513904	453.619	YBWICKTWKOUXNF-UHFFFAOYSA-N	00000010100010000100000000000010000000000000000000000000	31-01-139193
O=C(c1c(sc2c1CCCCC2)NC(=O)[C@H]1CCCN1S(=O)(=O)C)N1CCCCC1	SCHEMBL12057615,PC-id_44197127	453.619	YBWICKTWKOUXNF-MRXNPFEDSA-N	00000010100010000100000000000010000000000000000000000000	31-01-139194
O=C(c1c(sc2c1CCCCC2)NC(=O)[C@@H]1CCCN1S(=O)(=O)C)N1CCCCC1	SCHEMBL14878984	453.619	YBWICKTWKOUXNF-INIZCTEOSA-N	00000010100010000100000000000010000000000000000000000000	31-01-139195
s1c2c(CCCCC2)c(c1NC(=O)CSC1NC(CCC)CC(=O)N1)C(=O)OCC	PC-id_78342416	453.619	JEVWFXAESYFHQN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-139196
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccc(cc3)CC(C)C)CCn12	MCULE-8913615036,EMOLS-id_20457415,PC-id_45183693	453.62	UOJQJTKKZPESEK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139197
CC(C)Cc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1	CoCoCo_1210559,ZINC22_257371922,CoCoCo_1210560	453.62	UOJQJTKKZPESEK-LADGPHEKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139198
CC(C)Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1	CoCoCo_1210563,ZINC22_257371923,CoCoCo_1210564	453.62	UOJQJTKKZPESEK-UPVQGACJSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139199
CC(C)Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1	ZINC22_14885146,CoCoCo_1210566,CoCoCo_1210565	453.62	UOJQJTKKZPESEK-VWNXMTODSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139200
CC(C)Cc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1	ZINC22_14885149,CoCoCo_1210561,CoCoCo_1210562	453.62	UOJQJTKKZPESEK-ISKFKSNPSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139201
N#Cc1c(NC(=O)[C@@H]([N@@H+](Cc2ccccc2N2CCOCC2)C)C)sc2c1CCCCC2	GD-id_ZINC09206952,PC-id_40967728	453.62	JTFFKARYTIYJGA-SFHVURJKSA-O	00000000100010110101100000000010000000000000000000000000	31-01-139202
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+](Cc1ccc(N2CCOCC2)cc1)C)C)C#N	PC-id_41208154	453.62	YHZIKYVZAVHMFY-GOSISDBHSA-O	00000000100010110101100000000010000000000000000000000000	31-01-139203
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+](Cc1ccc(N2CCOCC2)cc1)C)C)C#N	PC-id_41208156	453.62	YHZIKYVZAVHMFY-SFHVURJKSA-O	00000000100010110101100000000010000000000000000000000000	31-01-139204
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+](Cc1c(N2CCOCC2)cccc1)C)C)C#N	PC-id_40967731	453.62	JTFFKARYTIYJGA-GOSISDBHSA-O	00000000100010110101100000000010000000000000000000000000	31-01-139205
s1c2c(CCCCC2)c(c1NC(=O)C([NH+](Cc1ccc(N2CCOCC2)cc1)C)C)C#N	PC-id_74752410	453.62	YHZIKYVZAVHMFY-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-139206
s1c2c(CCCCC2)c(c1NC(=O)C([NH+](Cc1c(N2CCOCC2)cccc1)C)C)C#N	PC-id_74733669	453.62	JTFFKARYTIYJGA-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-139207
Cc1nc2c([nH]1)CCN(CC2)C(=C)Cn1nc(cc1c1ccccc1)C(=C)/C=CC(=C(C)C)C	PC-id_145588003	453.622	YFSQGKKFTURUED-SEYXRHQNSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139208
O=C(CSc1nnc2n1CCCCC2)N(Cc1ccccc1)c1nc2c(s1)CCCC2	CoCoCo_4054313,EMOLS-id_11786261,ZINC22_9780200,PC-id_16342986,MCULE-8725016803	453.623	UEWBDYBMDRDWLQ-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-139209
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1sc(SCC(=O)N)nn1)C)C#N	PC-id_27480492	453.625	FDHBCGXIUXLFHQ-SECBINFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139210
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1sc(SCC(=O)N)nn1)C)C#N	PC-id_27480494	453.625	FDHBCGXIUXLFHQ-VIFPVBQESA-N	00000000100000000101000000000010000000000000000000000000	31-01-139211
s1c2CCCCCc2c(c1NC(=O)C(Sc1sc(SCC(=O)N)nn1)C)C#N	PC-id_43015199	453.625	FDHBCGXIUXLFHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139212
c1(c2CCCCCc2sc1NC(=O)CN1CCC(CC1)C)C(=O)Nc1ccccc1CC	CoCoCo_6723876,TIMTEC223071,CoCoCo_6723875,ZINC22_15946752,MCULE-6095402400,EMOLS-id_2785228,PC-id_3695716	453.64	IQPSBPZKJQILFV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139213
c1(c2CCCCCc2sc1NC(=O)CN1CCCCCC1)C(=O)Nc1ccccc1CC	PC-id_3767180,ZINC22_15946756,MCULE-8218483371,TIMTEC266316,CoCoCo_6723879,EMOLS-id_2785234	453.64	KMRBFSDHQVHERV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139214
C/C=CC(=C/C=C/Oc1sc2c(n1)CC=CC=C2)CN1CCCC(CCC1)NC(=O)CC	PC-id_143381792	453.64	ASWJMAIJIHNLKO-XTIWCLPKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-139215
s1c2CCCCCCc2nc1NC(=O)C(NS(=O)(=O)c1ccccc1)CCSC	PC-id_56022627	453.642	WPTUSLVPRSWQOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139216
CC1CCN(CC1)Cc1nc(NC(c2nnc3n2CCCCC3)C)c2c(n1)sc(c2C)C	MCULE-4618683871,EMOLS-id_24109142,PC-id_42945308	453.647	PNXZMDBIOYHXDV-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-139217
Cc1sc2nc(CN3CCC(C)CC3)nc(N[C@H](C)c3nnc4n3CCCCC4)c2c1C	PC-id_25610652,CoCoCo_4693511,ZINC22_12926767,CoCoCo_4693510	453.647	PNXZMDBIOYHXDV-QGZVFWFLSA-N	00000000100010100101000001000010000000000000000000000000	31-01-139218
Cc1sc2nc(CN3CCC(C)CC3)nc(N[C@@H](C)c3nnc4n3CCCCC4)c2c1C	ZINC22_12926761,PC-id_25610647,CoCoCo_4693508,CoCoCo_4693509	453.647	PNXZMDBIOYHXDV-KRWDZBQOSA-N	00000000100010100101000001000010000000000000000000000000	31-01-139219
C[Sn](c1ccc(c2-c(c1)ccc2)[Sn](C)(C)C)(C)C	PC-id_140651482	453.764	JAOXLYPQUNAEJR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-139220
Cl/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccc(cc1)F	CoCoCo_1309808,CoCoCo_1309810	453.94	GYPAECMZJVRARI-CAPFRKAQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139221
Fc1ccc(cc1)C(=O)NCCc1nnc2CCN(C/C(=C/c3ccccc3)/Cl)CCn12	CoCoCo_1309809,EMOLS-id_26001709,ZINC22_20906001,CoCoCo_1309811	453.94	GYPAECMZJVRARI-SILNSSARSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139222
n12CCN(CCc1nnc2CCNC(=O)c1ccc(cc1)F)CC(=Cc1ccccc1)Cl	PC-id_29208822,MCULE-3047910010	453.94	GYPAECMZJVRARI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139223
Clc1cc(CC2CCCCc3c2[nH]nc3OC(=O)N[C@@H](Cc2ccccc2)CO)ccc1	PC-id_66647509,SCHEMBL300486	453.961	QVWYWTVKEQJMFY-QWAKEFERSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139224
Clc1cc(CC2CCCCc3c2[nH]nc3OC(=O)N[C@H](Cc2ccccc2)CO)ccc1	PC-id_66647545,SCHEMBL300535	453.961	QVWYWTVKEQJMFY-VGAJERRHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139225
Clc1ccc(Cn2c3c(CCCCC3)c(c2C)C(=O)C(=O)NC2CC(=NC=C2)OC)cc1	PC-id_68225594,SCHEMBL12264555	453.961	FWTSJKWQKKFXHE-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-139226
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc([N+](=O)[O-])c1	PC-id_20415384	453.963	YPXDFQGHULTIBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139227
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc([N+](=O)[O-])cc1	PC-id_20415197	453.963	QAYLLPMUQGYLTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139228
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc([N+](=O)[O-])c1	PC-id_20415377	453.963	HEOCYRHLRYJVGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139229
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc([N+](=O)[O-])cc1	PC-id_20415190	453.963	DOOYTRYCOVPDIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139230
Clc1c([N+](=O)[O-])cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_20415301	453.963	DLTSYRQCBAPJGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139231
Clc1c([N+](=O)[O-])cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_20415294	453.963	MKMUSQTVUIVNNP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139232
COCCN1CCNc2c(C1=O)n(c(n2)CNCc1cc(ccc1)Cl)Cc1ccccc1	PC-id_134805239	453.964	PWUNIQICMBVFSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139233
Clc1cc(n2ncc(C(=O)N3CCN(CC3)Cc3n4CCCCCc4nn3)c2C)ccc1	PC-id_46589458	453.968	JNMSQJXSMNCWPM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139234
Clc1ccc(cc1)c1csc(n1)Cc1c2-c(c(c1C)C(=O)c1ccccc1)ccccc2	PC-id_139814849	453.982	OFSUDFHKXKNMQB-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-139235
Clc1ccc(cc1)C(=O)c1c(C)c(c2-c1ccccc2)Cc1scc(n1)c1ccccc1	PC-id_139814856	453.982	OKQWNQWUNNJSQN-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-139236
Clc1ccc(CCC(=O)Nc2sc3c(CCCCC3)c2C(=O)Nc2ncccc2)cc1	PC-id_76321288	453.984	IETFOFGEOVEBAR-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-139237
CN(C1CCCN(c2c1scc2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1Cl)C	PC-id_139709998	453.984	YECSCZOMLAANPJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139238
O=C(c1sc2c(c1)CCCCCC2)Nc1ccc(c(c1)Cl)C(=O)NCc1ccccn1	PC-id_112833809	453.984	CXONFNUMLFFUDW-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-139239
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1nn2c(c1)CCN(CC2)C)COC	PC-id_77997471	453.986	KLDLXTJTPNCZBZ-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-139240
ClC1=CCC(S1)C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1nn2c(c1)CCN(CC2)C)COC	SCHEMBL14045007,PC-id_71055954	453.986	KLDLXTJTPNCZBZ-LYFVRQJISA-N	00000011100000000101000000000010000000000000000000000000	31-01-139241
Clc1cc(C[C@@H]2CCCCCc3c2[nH]nc3C(=O)N[C@H](C2CC=CC=C2)COC)ccc1	SCHEMBL13061860,PC-id_70827671	454.004	WGKWLNSUFSOSKL-MQBGSOHWSA-N	00000000100011110101000000000010000000000000000000000000	31-01-139242
Clc1cc(C[C@H]2CCCCCc3c2[nH]nc3C(=O)N[C@H](C2CC=CC=C2)COC)ccc1	SCHEMBL13061988,PC-id_70827720	454.004	WGKWLNSUFSOSKL-WJJSNJRJSA-N	00000000100011110101000000000010000000000000000000000000	31-01-139243
Clc1ccc(cc1C(=O)Nc1nc2CCCCCc2s1)S(=O)(=O)N1CCCCC1	MCULE-3426238538,EMOLS-id_334602363	454.006	RZKLDAORKROAPS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139244
Clc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2CCCCCc2s1	MCULE-6768490078,EMOLS-id_323364859	454.006	CWSAAUVRKSQPIT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139245
Clc1c(cc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56021209	454.006	YHQKGWIYNLUOBH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139246
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)CO)cc1	PC-id_68591961,SCHEMBL3312605	454.006	RZCDLIREXKQIKC-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-139247
Clc1sc(C(=O)NC2C(OC)CN(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_68590391,SCHEMBL3308325	454.006	PUOJXSCPDTVKGI-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-139248
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)CO)cc1	PC-id_59285228,SCHEMBL13394985	454.006	RZCDLIREXKQIKC-KGLIPLIRSA-N	00000010100100000100000000000010000000000000000000000000	31-01-139249
Clc1sc(C(=O)N[C@@H]2[C@@H](OC)CN(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_59285175,SCHEMBL13395099	454.006	PUOJXSCPDTVKGI-KBPBESRZSA-N	00000010100100000100000000000010000000000000000000000000	31-01-139250
Clc1c(CC2c3n(nc(C(=O)NC4C5(CC(C4(C)C)CC5)C)c3CCCC2)C)cccc1	PC-id_72451513	454.047	SNEODCVZIIYWMD-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-139251
Clc1c(CC2c3n(nc(C(=O)N[C@H]4C5(CC(C4(C)C)CC5)C)c3CCCC2)C)cccc1	SCHEMBL176683,PC-id_58882608	454.047	SNEODCVZIIYWMD-WJZIVOKESA-N	00000010100010110101000000000110000000000000000000000000	31-01-139252
Brc1cc(Cc2c3-c(nc(n3)N)ccn(c2=O)C)cc(Br)c1OC	SCHEMBL14045101,PC-id_46916543	454.116	FCCFJSMKPLJCLU-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-139253
Brc1cc(Cc2c3nc([nH]c3ccnc2=O)NC)cc(Br)c1OC	PC-id_11201846	454.116	KRAXBUZDPZIHER-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-139254
CNc1nc2-c(c(c(=O)[nH]cc2)Cc2cc(Br)c(OC)c(Br)c2)n1	CMNPD13502,ZINC22_100088374,SCHEMBL2230164,CHEMBL3314785,CHEBI:65609,EMOLS-id_27517878,UNPD55202,CNP0278341	454.116	UCJCVNFPNDGXHS-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-139255
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)NC(CO3)C(C#CC4CC4)O)C#N	PC-id_160326755	454.131	QNWUYSFSEZRODG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-139257
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)NC(CO3)CC#CC4COC4)C#N	PC-id_160166617	454.131	MWTJHKLEOKLRRX-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-139258
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)C(C#CC4CC4)O)C#N	PC-id_160326754	454.131	QNWUYSFSEZRODG-QNSVNVJESA-N	00100000100000110101000000000010000000000000000000000000	31-01-139259
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)C(C#CC4CC4)O)C#N	PC-id_160326756	454.131	QNWUYSFSEZRODG-ZENAZSQFSA-N	00100000100000110101000000000010000000000000000000000000	31-01-139260
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)CC#CC4COC4)C#N	PC-id_160113326	454.131	MWTJHKLEOKLRRX-GOSISDBHSA-N	00001000100000110101000000000010000000000000000000000000	31-01-139261
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)CC#CC4COC4)C#N	PC-id_160113327	454.131	MWTJHKLEOKLRRX-SFHVURJKSA-N	00001000100000110101000000000010000000000000000000000000	31-01-139262
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=CC(=NN4CC3)NC5=NN=C(S5)NC(=O)C	PC-id_154685796	454.136	ABDNJYVEYPCESF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139263
CC(C1=CC2=C(C=C1)SC=N2)N3CCC4=NC(=CN4CC3)NC5=NN=C(S5)NC(=O)C	PC-id_154685681	454.136	DHZYLQDMWYAFEO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139264
Cn1cc2c(c1C(=O)Nc1cc(c(cc1)F)F)OCC(NS2(=O)=O)(CCN)CC1CC1	PC-id_163882195	454.149	PUFIPTKJDOERDB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-139265
CC1=C(C=CC(=C1)OC(CCNC)C2=CC=CS2)CN3CCCN4C(=CC(=N4)OC)C3=O	PC-id_155072017	454.204	LNRBORXMZJPWTB-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-139266
CC(C)C(C(=O)CC1CC2=CC(=NN2)CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_161422693	454.222	VWYGZCLMMYFXOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139267
CC(C)C(C(=O)CC1CCC2=CC=NN2CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_147229586	454.222	CIQIYHLGJYJYBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139268
CC(C)C(C(=O)CC1CCC2=CN(CCNC(=O)C1=O)N=C2)NC(=O)OCC3=CC=CC=C3	PC-id_149115983	454.222	QYJOLJJDPPJAJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139269
CC(C)C(C(=O)CC1CCC2=CN=CN2CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_161860507	454.222	YAGVKNSRNHJZSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139270
CC(C)C(C(=O)CC1CCN2C(=CC=N2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_162214151	454.222	ZTGASLYIUYCQON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139271
CC(C)C(C(=O)CC1CCN2C=CN=C2CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_161362144	454.222	VPIBODVTOCQBHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139272
CC(C)C(C(=O)CC1CCN2C=NC=C2CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_146937076	454.222	AGDCGBYAIQDADK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139273
CC(C)C(C(=O)CC1CN2C=CN=C2CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_153159403	454.222	WCBAEIACQYRERN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139274
CC(C)C(C(=O)CC1CN2C=NC=C2CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_160647655	454.222	RJZPPTDCODEGRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139275
CCN(C1CCC(=O)CC1)C2=C(C3=C(S2)CCCN(C3=O)CC4=C(C=C(CC4=O)C)C)C	PC-id_148220012	454.229	KLRKJGUXXBBWFP-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-139276
CN1CCC(=NO)c2ccn(CCCCN3CCC(C(=O)c4ccc(F)cc4)CC3)c2C1=O	PD069140,SCHEMBL9041322,PC-id_85065607	454.24	NJODDWBWSIFQMT-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139277
Brc1c(c2oc(C=C(c3n4CCCCCc4nn3)C#N)cc2)ccc([N+](=O)[O-])c1	EMOLS-id_300267332,MCULE-1889278112,PC-id_5092086	454.277	UCKCXMBKNCPXCG-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-139278
Brc1c(c2oc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)ccc([N+](=O)[O-])c1	PC-id_6268118,CoCoCo_3456460	454.277	UCKCXMBKNCPXCG-JLHYYAGUSA-N	00000000101000110101100000000010000000000000000000000000	31-01-139279
N#C/C(=C/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])/c1nnc2n1CCCCC2	CoCoCo_3456461	454.277	UCKCXMBKNCPXCG-RAXLEYEMSA-N	00000000101000110101100000000010000000000000000000000000	31-01-139280
Brc1c(cc(c2-c(ccc2)c1)Br)CCCCCCCCCCCC	4106353_OpenMolecule,PC-id_101804321,CT-id_4106353	454.282	SIYXXXFPWBCBGG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-139281
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C#Cc1ccc(cc1)I	PC-id_102579713	454.3	INNMUHOLWFNLOJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139282
Brc1ccc2-c(c(OC(=O)OC(C)(C)C)c(N)c2OC(=O)OC(C)(C)C)cc1	PC-id_17776157,SCHEMBL8334092	454.312	IGJLLJBHKOWJTM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-139283
c1(NC(=O)c2ccccc2I)sc2c(CCCCCC2)c1C(=O)N	ZINC22_689168,PC-id_1023106,CoCoCo_6597291,SPECS-id_AK-968/40732451,TIMTEC358850,EMOLS-id_5128048,GD-id_ZINC00689168,MCULE-2265560144	454.325	OLYROLVSYAVLMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139284
Ic1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)cccc1	PC-id_42388424	454.325	MDMZPTNGGKEIDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139285
Ic1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1C	PC-id_40394296	454.325	QQPKXNCKNNPWQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139286
Ic1c(C(=O)NNC(=O)c2sc3CCCCCCc3c2)cccc1	PC-id_24409824	454.325	GAGVJUXEUHQERX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139287
Brc1ccc(cc1)C(=O)NC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C	EMOLS-id_323944429,PC-id_146160656	454.338	XUOFSBZEPKCUNC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-139288
Brc1oc(C(=O)NCC(=O)NNC(=O)c2sc3CCCCCCc3c2)cc1	PC-id_24643153	454.338	NFHSTKSYZAFIBH-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-139289
O=C(c1n(C)cc2c1C=CC(NS2(=O)=O)C(F)(F)F)Nc1ccnc(c1)C(F)(F)F	SCHEMBL18352786	454.347	XPEBURWWXNTAOV-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-139290
Brc1cc(c2nc(c(C(=O)NCCc3n4CCCCCc4nn3)cc2)C)ccc1	PC-id_55535346	454.363	GBQPVWJIIGCSIV-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-139291
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCP(=O)(O)O	PC-id_23296707,SCHEMBL6878097	454.368	ARYLOFQIUCCOTG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-139292
CCOC(=O)c1c(N)c(c2-c1ccc(cc2)CC(=O)N(P(=O)(O)O)OC)C(=O)OCC	SCHEMBL6878101,PC-id_53784920	454.368	DXURCYIEAQGKRS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-139293
CCOP(=O)(CONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)O)N)C(=O)O)OCC	PC-id_141055254	454.368	WLZVITJJRXTORK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-139294
Brc1ccc(C2=CS/C(=C(c3n4CCCCCc4nn3)/C#N)/N2CC=C)cc1	CoCoCo_3729274,PC-id_2314962	454.386	ABIZACQHQWOGFM-FXBPSFAMSA-N	00000011100000110101100000000010000000000000000000000000	31-01-139295
Brc1ccc(C2=CS/C(=C(/c3n4CCCCCc4nn3)C#N)/N2CC=C)cc1	CoCoCo_3729275,PC-id_2314963	454.386	ABIZACQHQWOGFM-HEHNFIMWSA-N	00000011100000110101100000000010000000000000000000000000	31-01-139296
Brc1ccc(C2=CSC(=C(c3n4CCCCCc4nn3)C#N)N2CC=C)cc1	PC-id_3582057,MCULE-9855009628	454.386	ABIZACQHQWOGFM-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-139297
Clc1cc(CN(CCCN(C)C)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1Cl	PC-id_56093476	454.393	WACLIGPBNVELEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139298
Brc1ccc(SCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_3915208	454.401	JEQAIKSBTJOZIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139299
Brc1ccc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nc1	PC-id_19686376	454.404	XJEQZUKDRHPFLE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-139300
Brc1ccc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nc1	PC-id_19686372	454.404	PQMIOJRLOZLRHZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-139301
CCNC(=O)c1c(cc(cc1)c1nc(ccc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580156,SCHEMBL14965762	454.454	PDYVELNRHUWGBW-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-139302
CCNC(=O)c1c(ccc(c1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580306,SCHEMBL14965970	454.454	ZXFJBIAUADGBNP-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-139303
CCNC(=O)c1c(cc(cc1)c1nccc(c1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580486,SCHEMBL14966211	454.454	XBDLYRWKWHYCDP-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-139304
CCNC(=O)c1c(cc(cc1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965597,PC-id_89580038	454.454	WQDZEVYEQMWUEF-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-139305
CCNC(=O)c1c(ccc(c1)c1nc(ccc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965956,PC-id_89580296	454.454	XQBQEGFVVJWRAR-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-139306
CN(C)C(=O)c1c(cc(cc1)c1nc(ccc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580017,SCHEMBL14965570	454.454	GOOVIJZPIHPLHY-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-139307
CN(C)C(=O)c1c(cc(cc1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580077,SCHEMBL14965652	454.454	JKUBOVNQYYINQQ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-139308
CN(C)C(=O)c1c(ccc(c1)c1nc(ccc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580335,SCHEMBL14966011	454.454	BDLVIBMRBZPFCO-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-139309
CN(C)C(=O)c1c(cc(cc1)c1nccc(c1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965666,PC-id_89580086	454.454	WBCPPLMSNRJQGU-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-139310
CN(C)C(=O)c1c(ccc(c1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965678,PC-id_89580097	454.454	MAOJLLNESYEZSB-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-139311
Nc1nc2c(s1)CCN(CCCCN1CCN(c3cccc(Cl)c3Cl)CC1)CC2	CHEMBL4572887	454.459	BYKIDBIDJRZMKJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139312
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCC(=O)Nc1c(F)c(F)c(F)cc1	PC-id_16512680	454.463	ZQGNLSYATHGXRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139313
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OCC(=O)O	PC-id_72423613	454.469	ZWGLVGGJGARGRZ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-139314
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)O)ccc1OC	PC-id_72423654	454.469	UYKQDZSRVMJGIQ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-139315
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)O)c(OC)cc1	PC-id_72423707	454.469	TXEJXHHTYMUKOA-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-139316
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OCC(=O)O	SCHEMBL14590141,PC-id_58786120	454.469	ZWGLVGGJGARGRZ-HFBCXCLPSA-N	00000010100010110110100000000010000000000000000000000000	31-01-139317
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)O)ccc1OC	PC-id_58786168,SCHEMBL14590103	454.469	UYKQDZSRVMJGIQ-ZXGKGEBGSA-N	00000010100010110110100000000010000000000000000000000000	31-01-139318
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)O)c(OC)cc1	PC-id_58786224,SCHEMBL14590106	454.469	TXEJXHHTYMUKOA-ZXGKGEBGSA-N	00000010100010110110100000000010000000000000000000000000	31-01-139319
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C=O)C=O	PC-id_19102868,SCHEMBL9337007	454.474	IDNVSRIQULUEDL-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-139320
COCCOCCOC(=O)NC(C(=O)NC1Cc2cnoc2CCNC(=O)C1=O)C(C)C	PC-id_138730782,SCHEMBL21109940	454.474	NZMRSWVOAZNMFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139321
COCCOCCOC(=O)NC(C(=O)NC1Cc2ncoc2CCNC(=O)C1=O)C(C)C	SCHEMBL21110656,PC-id_138731464	454.474	SOZWSRPEIPAMTH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139322
COCCOCCOC(=O)NC(C(=O)NC1Cc2ocnc2CCNC(=O)C1=O)C(C)C	PC-id_138730940,SCHEMBL21110098	454.474	OQADRHSXYXWICJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139323
COCCOCCOC(=O)NC(C(=O)NC1Cc2oncc2CCNC(=O)C1=O)C(C)C	PC-id_138730884,SCHEMBL21110042	454.474	LPKBKMAUVIFZHL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139324
COCCOCCOC(=O)NC(C(=O)NC1CCc2ncoc2CNC(=O)C1=O)C(C)C	PC-id_138730423,SCHEMBL21109578	454.474	UBZAEEQUNNCZOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139325
COCCOCCOC(=O)NC(C(=O)NC1CCc2ocnc2CNC(=O)C1=O)C(C)C	PC-id_138730337,SCHEMBL21109491	454.474	PLOJAUDOCUQOJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139326
COCCOCCOC(=O)NC(C(=O)NC1Cc2cnnn2CCNC(=O)C1=O)C(C)C	PC-id_138730595,SCHEMBL21109750	454.478	SDHXHZSBAQMRRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139327
COCCOCCOC(=O)NC(C(=O)NC1Cc2ncnn2CCNC(=O)C1=O)C(C)C	SCHEMBL21109585,PC-id_138730430	454.478	SJMNYVGOTFPXOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139328
COCCOCCOC(=O)NC(C(=O)NC1Cc2nncn2CCNC(=O)C1=O)C(C)C	SCHEMBL21109960,PC-id_138730802	454.478	IYFRYMSZVHHYEG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139329
CN(CCCOc1ccccc2-c1c(C)cc2/C=C
/C(=O)Nc2c1ccc(c2)C(F)(F)F)C	SCHEMBL13324691,PC-id_59301666	454.484	FGRZSBABASKZDP-KGENOOAVSA-N	00000010100000100110000000001010000000000000000000000000	31-01-139330
CN(CCCOc1ccccc2-c1c(C)cc2/C=C
/C(=O)Nc2c1cc(cc2)C(F)(F)F)C	SCHEMBL13324698	454.484	VKXICODNOSLBHI-KGENOOAVSA-N	00000010100000100110000000001010000000000000000000000000	31-01-139331
CN(CCCOc1ccccc2-c1c(C)cc2/C=C/1C(=O)Nc2c1cc(cc2)C(F)(F)F)C	SCHEMBL3282886,PC-id_68580275	454.484	VKXICODNOSLBHI-STZFKDTASA-N	00000010100000100110000000001010000000000000000000000000	31-01-139332
CN(CCCOc1ccccc2-c1c(C)cc2/C=C/1C(=O)Nc2c1ccc(c2)C(F)(F)F)C	SCHEMBL3283089	454.484	FGRZSBABASKZDP-STZFKDTASA-N	00000010100000100110000000001010000000000000000000000000	31-01-139333
FC(F)(F)c1cc2C(=Cc3c4-c(c(c3)C)c(OCCCN(C)C)cccc4)C(=O)Nc2cc1	PC-id_59301646	454.484	VKXICODNOSLBHI-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-139334
FC(F)(F)c1cc2NC(=O)C(=Cc3c4-c(c(c3)C)cccc(OCCCN(C)C)c4)c2cc1	PC-id_25264341	454.484	MJTCSUHKHQIOPC-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-139335
FC(F)(F)c1cc2NC(=O)C(=Cc3c4-c(c(c3)C)c(OCCCN(C)C)cccc4)c2cc1	PC-id_68580347	454.484	FGRZSBABASKZDP-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-139336
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(nn(c1)CC)C(=O)NCC(C)C	PC-id_19523816	454.489	CFWIMVBAMRUONC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139337
Fc1ccc(c(c1)C(=O)N[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc2c(c1)CCO2)C)F	GD-id_ZINC12020310,PC-id_42355659	454.492	VRHCMQOSEHAEIO-OAHLLOKOSA-O	00000010100000110101000000001010000000000000000000000000	31-01-139338
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2cc3c(OCC3)cc2)C)cc(F)cc1	PC-id_74798797	454.492	VRHCMQOSEHAEIO-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-139339
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2cc3c(OCC3)cc2)C)cc(F)cc1	PC-id_42355665	454.492	VRHCMQOSEHAEIO-HNNXBMFYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-139340
Fc1cc2/C(=C/c3[nH]c4CCCN(C[C@H](O)N5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_53345308	454.494	JIQJILLXKAGQSW-ZIBIDDQLSA-N	00000010100010100101000000001010000000000000000000000000	31-01-139341
Fc1cc2C(=Cc3[nH]c4CCCN(CC(O)N5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_76017930	454.494	JIQJILLXKAGQSW-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-139342
s1c2CCCCCc2c(c1NC(=O)CCC(=O)OCC(=O)c1cc2OCOc2cc1)C#N	PC-id_19059645	454.496	VPYXPSZXOOTUQD-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-139343
c1(N(=O)=O)nn(c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c1)Cc1ccccc1	CoCoCo_5823603,EMOLS-id_4140308,TIMTEC202734,SPECS-id_AK-968/15252367,ZINC22_672777,PC-id_1011982,MCULE-3656040736	454.499	HUFBNKFDFCSYKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139344
COCc1ccc(o1)C(=O)NCc1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)C(=O)OC	PC-id_42425179,GD-id_ZINC12135684	454.499	HFEOIRKEJSQNIV-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139345
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(NC2CC2)cc1)C#N	PC-id_41252325	454.499	NMQDULSOZKSATO-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-139346
FC1CN(C1)Cc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)C(=N)/N=CNCc1ccccc1	SCHEMBL19659418	454.501	NJPOQBJNJSYYMM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-139347
COCC(=O)N[C@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(cc1)C(F)(F)F)CC(C)C	GD-id_ZINC11815293,PC-id_42191984	454.509	SJKWRIWZROXWCF-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139348
FC(F)(F)c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COC)CC(C)C)CC2)cc1	PC-id_42191987	454.509	SJKWRIWZROXWCF-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139349
FC(F)(F)c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)COC)CC(C)C)CC2)cc1	PC-id_74777812	454.509	SJKWRIWZROXWCF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139350
CCOc1c(OC)cc(cc1[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1cc2-c(c1)ccccc2	PC-id_58786190,SCHEMBL5272575	454.512	FCZLGOJTPFQQJP-XCVFGXLCSA-N	00000010100010110110100000000010000000000000000000000000	31-01-139351
O1C(C(O)C(O)C(O)C1CO)c1c(OCC)c(OC)cc(c1)Cc1cc2-c(c1)ccccc2	PC-id_72423676	454.512	FCZLGOJTPFQQJP-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-139352
CC1C#CC(=c2c(=C1OC)c(c[nH]2)C(=O)C(=O)N1CCC(=C(C#C)c2ccccc2)CC1)OC	PC-id_89985614,SCHEMBL15494338	454.517	SWVSLZBULRCGCS-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-139353
CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1=O	CoCoCo_3156701,PC-id_2092834,ZINC22_2630456	454.517	SFOGRFHSTUGXBN-QHCPKHFHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-139354
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1=O	ZINC22_2630455,CoCoCo_3156700,PC-id_2092833	454.517	SFOGRFHSTUGXBN-HSZRJFAPSA-N	00000010100000110101100000000010000000000000000000000000	31-01-139355
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2c(O)ccc(OC)c2)cc1	PC-id_42324097	454.517	JOGPWPMRRPNHPP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139356
Fc1cc(CC(=O)NCc2n3CC[NH+](CCc3nn2)Cc2cc(OC)cc(OC)c2)ccc1	PC-id_42430454	454.517	CGSSPLLFIRRBJK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139357
Fc1cc(CC(=O)NCc2n3CC[NH+](CCc3nn2)Cc2cc(OCCO)ccc2)ccc1	PC-id_42368468	454.517	DZXPHMCYSGUREV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139358
Fc1ccc(C(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2c(OC)cc(OC)cc2)cc1	PC-id_42501624	454.517	IOZNNQMNWQFYKQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139359
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2cc(OCC)c(OC)cc2)ccc1	PC-id_42274651	454.517	HGXTZCXMHCKRGI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139360
Fc1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)cc(OC)cc1	PC-id_42499039	454.517	OLGIVGUVZBZYDF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139361
Fc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cc(OC)ccc3)C)CC2)cc(OC)cc1	PC-id_42189129	454.517	XIQGDFOJDAXNQC-INIZCTEOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139362
Fc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(OC)ccc3)C)CC2)cc(OC)cc1	PC-id_42189132	454.517	XIQGDFOJDAXNQC-MRXNPFEDSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139363
Fc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)cc(OC)cc1	PC-id_42319211	454.517	DXTWDUJMZUBOSR-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139364
Fc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)cc(OC)cc1	PC-id_42319213	454.517	DXTWDUJMZUBOSR-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139365
Fc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(OC)ccc3)C)CC2)cc(OC)cc1	PC-id_74777380	454.517	XIQGDFOJDAXNQC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139366
Fc1c(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)cc(OC)cc1	PC-id_74791851	454.517	DXTWDUJMZUBOSR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139367
s1c2c(CCCCCCCCCC2)c(c1NC(=O)Cc1ccccc1)C(=O)N(CC)CC	PC-id_24046718	454.668	WHDVTYMCRDDURS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139607
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_42482548	454.517	DJPIBLROMYUVHC-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139368
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_42482550	454.517	DJPIBLROMYUVHC-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139369
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_74807356	454.517	DJPIBLROMYUVHC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139370
N#Cc1c(NC(=O)CN2C(=O)NC(C2=O)(CC)c2ccc(cc2)F)sc2c1CCCCC2	PC-id_3549131,MCULE-4569892749,EMOLS-id_3273722	454.517	SFOGRFHSTUGXBN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-139371
O(C(=O)C(CCCCn1c2NC=NCC(=O)c2nc1)(Cc1ccccc1)C(=O)OCC)CC	PC-id_10766148	454.519	RRVSEADZQYSMKC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-139372
CN1CCNc2c(C1=O)n(c(n2)COc1ccc(cc1)Oc1ccccc1)Cc1ccccc1	PC-id_134805231	454.52	DLEQFOZBGQIGFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139373
CC(Cc1onc(c1)C(=O)N1CCc2n(CC1)c(nn2)C(C(C)C)NC(=O)c1cocc1)C	PC-id_45170900,EMOLS-id_20402142,MCULE-7071658315	454.522	GNHSHMVHPQYNBQ-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-139374
CC(Cc1onc(c1)C(=O)N1CCc2n(CC1)c(nn2)[C@H](C(C)C)NC(=O)c1cocc1)C	CoCoCo_1134645,PC-id_42322938	454.522	GNHSHMVHPQYNBQ-FQEVSTJZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-139375
CC(Cc1onc(c1)C(=O)N1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)c1cocc1)C	PC-id_42322945,CoCoCo_1134646	454.522	GNHSHMVHPQYNBQ-HXUWFJFHSA-N	00000000101000000101000000000010000000000000000000000000	31-01-139376
n12CCN(CCc1nnc2CNC(=O)c1ccccn1)Cc1cccc(c1)Oc1ccccc1	CoCoCo_1267376,ZINC22_20600219,CoCoCo_1267377,EMOLS-id_20497313,MCULE-1167887235,PC-id_29087140	454.524	VLKGRDUKZZESOG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-139377
O=C(c1ccncc1)NCc1nnc2n1CCN(CC2)Cc1cccc(c1)Oc1ccccc1	ChEMBL-DNDi_CHEMBL94821035	454.524	WIEUOGKLZHIGET-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-139378
Cn1cnnc1Sc1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1[N+](=O)[O-]	EMOLS-id_43827666,MCULE-6184888903,ZINC22_3302139,CoCoCo_3268412,PC-id_2417753	454.525	APYWFICQMMTZRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139379
CC(C)c1n[nH]c2c1CN(CC(C2)CC(C)c1n[nH]c2c1CN(C2)CC(F)(F)F)COC	PC-id_134224566,SCHEMBL19831705	454.532	XYXJJJMQOLCHOC-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-139380
Fc1ccc(c(c1)C(=O)N[C@H](c1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)C(C)C)C)F	PC-id_42418656,GD-id_ZINC12124500	454.535	KNTJGZTWSBFJJR-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139381
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)C(C)C)C)cc(F)cc1	PC-id_74801619	454.535	KNTJGZTWSBFJJR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139382
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)C(C)C)C)cc(F)cc1	PC-id_42418653	454.535	KNTJGZTWSBFJJR-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139383
s1c2c(CCCCC2)c(c1NC(=O)CN(S(=O)(=O)c1ccc(F)cc1)C)C(=O)OC	PC-id_55327532	454.535	LMJLGQRFDFGKIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139384
CN1CCC(c2c(C1=O)ccn2CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)N=O	PC-id_91172119	454.537	RMERPKXCWHSJMO-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139385
CN1CCC(c2cn(cc2C1=O)CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)N=O	PC-id_91391218	454.537	YEVPGVCKYKVPHV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139386
CN1CCC(=NO)c2c(C1=O)n(cc2)CCCCN1CCCC(C1)C(=O)c1ccc(cc1)F	PC-id_88403813,SCHEMBL9039875	454.537	IYILQOMANHOFRW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139387
CN1CC/C(=NO)/c2ccn(CCCCN3CCC(CC3)C(=O)c3ccc(F)cc3)c2C1=O	EMOLS-id_232694144,PC-id_9911796,ZINC22_3926788,PD099617	454.537	NJODDWBWSIFQMT-HPNDGRJYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139388
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(cc2)C(=O)N(CCC3=NO)C)cc1	PC-id_59939353	454.537	CSNVKFHCFIPROU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139389
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(cc2)C(=O)N(CC/C/3=N/O)C)cc1	SCHEMBL6997642,PC-id_22011296	454.537	CSNVKFHCFIPROU-QYQHSDTDSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139390
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(C(N=O)CCN(C3=O)C)cc2)cc1	PC-id_54449515	454.537	WTXQTWUULXLQJE-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139391
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2cc3c(c2)C(=O)N(CC/C/3=N/O)C)cc1	PC-id_22011278,SCHEMBL6997623	454.537	SWNNWUIBTHORFO-VYIQYICTSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139392
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2cc3c(c2)C(=O)N(CCC3=NO)C)cc1	PC-id_44214572	454.537	SWNNWUIBTHORFO-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139393
Fc1ccc(C(=O)C2CCN(CC2)CCCN2CC/C(=N/O)/c3c(n(cc3)CC)C2=O)cc1	PC-id_20083224,SCHEMBL6993584	454.537	RLPFKHRLXSDGCR-QYQHSDTDSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139394
Fc1ccc(C(=O)C2CCN(CC2)CCCN2CCC(N=O)c3c(n(cc3)CC)C2=O)cc1	PC-id_53764392	454.537	DKEPEUPRSPICBC-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139395
Fc1ccc(C(=O)C2CCN(CC2)CCCN2CCC(=NO)c3c(n(cc3)CC)C2=O)cc1	PC-id_73658810	454.537	RLPFKHRLXSDGCR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139396
O/N=C
/CCN(C(=O)c2c1ccn2CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)C	PC-id_100955400	454.537	NJODDWBWSIFQMT-QYQHSDTDSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139397
CCOC(=O)c1c(NC(=O)C(CC)N2C(=O)c3ccccc3C2=O)sc2CCCCCc12	SPECS-id_AE-848/41539482,MCULE-8680037176,PC-id_2946130,EMOLS-id_2225490	454.539	KCCZHDPROVSPGN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-139398
CCOC(=O)c1c(NC(=O)[C@H](CC)N2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	PC-id_1050689,ZINC22_728967,CoCoCo_958599	454.539	KCCZHDPROVSPGN-KRWDZBQOSA-N	00000010100000100100000000001010000000000000000000000000	31-01-139399
CCOC(=O)c1c(NC(=O)[C@@H](CC)N2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	PC-id_1050690,ZINC22_728968,CoCoCo_958598	454.539	KCCZHDPROVSPGN-QGZVFWFLSA-N	00000010100000100100000000001010000000000000000000000000	31-01-139400
N#Cc1c(NC(=O)COC(=O)c2ccc(cc2)OCC2CCCO2)sc2c1CCCCC2	EMOLS-id_43783096,MCULE-1609020380,PC-id_3988384	454.539	PIVRFERUQJDTMR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-139401
N#Cc1c(NC(=O)COC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)sc2c1CCCCC2	CoCoCo_3111608,PC-id_29183736,ZINC22_20865689	454.539	PIVRFERUQJDTMR-SFHVURJKSA-N	00000010100000110100000000000010000000000000000000000000	31-01-139402
N#Cc1c(NC(=O)COC(=O)c2ccc(OC[C@H]3CCCO3)cc2)sc2c1CCCCC2	PC-id_29183739,ZINC22_20865693,CoCoCo_3111607	454.539	PIVRFERUQJDTMR-GOSISDBHSA-N	00000010100000110100000000000010000000000000000000000000	31-01-139403
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1c(cccc1)C)C)C(=O)OC	PC-id_19442981	454.539	DNLDOBQEBKMZPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139404
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1cc(ccc1)C)C)C(=O)OC	PC-id_19488276	454.539	ZHIAOVNLBSRZHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139405
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1ccc(cc1)C)C)C(=O)OC	PC-id_19488568	454.539	HJYRJGVILNLUMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139406
s1c2CCCCCc2c(c1NC(=O)CCC(=O)OCC(=O)c1ccc(OCC)cc1)C#N	PC-id_19059654	454.539	HOSJGVHYQGXRRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139407
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)CCOc1ccc(cc1)C(=O)C)C)C#N	PC-id_31658263	454.539	OWDZNTRKKXLGDE-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139408
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)CCOc1ccc(cc1)C(=O)C)C)C#N	PC-id_31658269	454.539	OWDZNTRKKXLGDE-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139409
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(OC)c(OCC=C)cc1)C)C#N	PC-id_55459368	454.539	JDSHAUMRZKBZGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139410
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CCc1c2c([nH]c1)cccc2)C(=O)OC	PC-id_3334880	454.539	AJGIBHYNEMEOOE-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-139411
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)/C=C/c1cc(OC)c(OC)cc1)C)C#N	PC-id_55417490	454.539	GLLGSDFLIOUOOS-ZRDIBKRKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139412
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=Cc1cc(OC)c(OC)cc1)C)C#N	PC-id_76236162	454.539	GLLGSDFLIOUOOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139413
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OCC)cc1)C#N	PC-id_41120919	454.539	BTTCGDSTZKBWCB-ZRDIBKRKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139414
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OCC)cc1)C#N	PC-id_74747900	454.539	BTTCGDSTZKBWCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139415
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)/C=C/c1c(OC)cc(OC)cc1)C)C#N	PC-id_55416626	454.539	RABAJRCLJLKGDP-ZRDIBKRKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139416
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=Cc1c(OC)cc(OC)cc1)C)C#N	PC-id_76236070	454.539	RABAJRCLJLKGDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139417
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCC(=O)c1ccc(OCC)cc1)C#N	PC-id_45626006	454.539	JYRDSWPJQCULQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139418
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCOc1ccc(cc1)C(=O)C)C)C#N	PC-id_74617368	454.539	OWDZNTRKKXLGDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139419
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1c(OC)cc(cc1)/C=C/C)C#N	PC-id_36108674	454.539	RZBVATBERQBHSA-XVNBXDOJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139420
s1c2CCCCCc2c(c1NC(=O)COC(=O)COc1c(OC)cc(cc1)C=CC)C#N	PC-id_74648219	454.539	RZBVATBERQBHSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139421
C/C=C/1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)F)CNC(=O)CC1CCNCC1	PC-id_143189042	454.54	FVZGRLVLBKDQJF-BIMFAAKUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139422
Fc1cc(c2n[nH]c(CCCCCN(C(=O)Cn3nc4n(CCCCC4)c3=O)C)c2)ccc1	PC-id_55977475	454.54	XLUSMBYNBSWHDH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139423
Fc1ccc(c2n[nH]c(CCCCCN(C(=O)Cn3nc4n(CCCCC4)c3=O)C)c2)cc1	PC-id_56017053	454.54	KZDDZGRVPYLHBN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139424
O(c1c(cc(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)c(c1)C)C)C	PC-id_42168480	454.542	ONGBALYJVHPVRA-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139425
O(c1ccc(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)cc1)C(C)C	PC-id_42246674	454.542	ZQUWXDMYDXMRTQ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139426
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1O)C	PC-id_42434748	454.542	YRYARMDPLMUTCL-GOSISDBHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139427
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1O)C	PC-id_42434751	454.542	YRYARMDPLMUTCL-SFHVURJKSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139428
O(c1cc(C[NH+]2CCn3c(nnc3CNC(=O)c3c(oc(c3)C)C)CC2)ccc1OC)CC	PC-id_42342276	454.542	UQFMGFAMMLJEAB-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139429
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)ccc1O)C	PC-id_74803204	454.542	YRYARMDPLMUTCL-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139430
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)cc(OC)cc1	PC-id_42501360	454.542	TZSNTQDIIMGVQU-LJQANCHMSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139431
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)cc(OC)cc1	PC-id_42501362	454.542	TZSNTQDIIMGVQU-IBGZPJMESA-O	00000000101000110101000000000010000000000000000000000000	31-01-139432
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)cc(OC)cc1	PC-id_74808285	454.542	TZSNTQDIIMGVQU-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139433
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1onc(n1)c1ccc(OCC)cc1	PC-id_46578398	454.542	BLUYULXPMHWBPC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139434
s1c2CCCCCc2cc1C(=O)NNC(=O)CN1C(=O)C(NC1=O)(c1ccc(cc1)C)C	PC-id_55376372	454.542	XKBARKLANYKBOI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-139435
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1	PC-id_29911510	454.542	JYICHLCAXNVNQD-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-139436
s1c2CCCCCCc2cc1C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1	PC-id_55732920	454.542	DBSGXLIMYKKWJS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139437
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(C(=O)CSc3ccncc3)CCn12	MCULE-1780149871,PC-id_45170434,EMOLS-id_20400052	454.545	FCVMVKRVPZNVBF-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-139438
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)CSc1ccncc1)CC2	ZINC22_11965652,CoCoCo_1131942	454.545	FCVMVKRVPZNVBF-HXUWFJFHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-139439
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)CSc1ccncc1)CC2	ZINC22_11965656,CoCoCo_1131943	454.545	FCVMVKRVPZNVBF-FQEVSTJZSA-N	00000000101000101101000000000010000000000000000000000000	31-01-139440
CCn1c(=O)c(/C(=CSc2nnc3n2CCCCC3)/O)c(n(c1=O)Cc1ccccc1)N	CoCoCo_3892242,CoCoCo_3892243	454.545	QSUFDWFASFWDAA-JQIJEIRASA-N	00000000100000110101000000000010000000000000000000000000	31-01-139441
CCn1c(=O)c(/C(=C/Sc2nnc3n2CCCCC3)/O)c(n(c1=O)Cc1ccccc1)N	CoCoCo_3892244,CoCoCo_3892241	454.545	QSUFDWFASFWDAA-PEZBUJJGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139442
CCn1c(=O)c(C(=O)CSc2nnc3n2CCCCC3)c(N)n(Cc2ccccc2)c1=O	CoCoCo_3892240,PC-id_16232738,ZINC22_13150131,MCULE-8890688875,EMOLS-id_43914867	454.545	AFOGSNAESHFMPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139443
S(c1ncccc1C(=O)N1CCn2c(nnc2CC1)[C@@H](NC(=O)c1ccoc1)C(C)C)C	PC-id_42398412	454.545	OXWVXIWGHRUYSP-SFHVURJKSA-N	00000000101000101101000000000010000000000000000000000000	31-01-139444
S(c1ncccc1C(=O)N1CCn2c(nnc2CC1)[C@H](NC(=O)c1ccoc1)C(C)C)C	PC-id_42398413	454.545	OXWVXIWGHRUYSP-GOSISDBHSA-N	00000000101000101101000000000010000000000000000000000000	31-01-139445
S(c1ncccc1C(=O)N1CCn2c(nnc2CC1)C(NC(=O)c1ccoc1)C(C)C)C	PC-id_45167209	454.545	OXWVXIWGHRUYSP-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-139446
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc(OC(F)F)cc1)C)C(=O)OCC	PC-id_20173977	454.554	FIDGTMHJDFXCBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139447
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC(F)F)ccc(c1)C)C(=O)OCC	PC-id_19711622	454.554	OZSABOGCMGIIGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139448
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(OC(F)F)cc(cc1)C)C(=O)OCC	PC-id_20172127	454.554	QXZFKJMUKNZVNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139449
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc(OC(F)F)cc1)C)C(=O)OC	PC-id_20173970	454.554	KOKBGKTUAPODBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139450
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(OC(F)F)cc1)C(=O)OCC	PC-id_20173831	454.554	GNVVPTFXIFRKFF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139451
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC(F)F)ccc(c1)C)C(=O)OC	PC-id_19711615	454.554	ZZWDFZCWPJQRHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139452
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC(F)F)cc(cc1)C)C(=O)OC	PC-id_20172121	454.554	QFTZJDRCJDQDMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139453
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC(F)F)cccc1)C(=O)OCC	PC-id_20172188	454.554	CGNYDEXGKCVZIP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139454
O=C(c1ccc2-c1cc(ccc2)C(C)C)OCCOC(=O)c1ccc2-c1cc(ccc2)C(C)C	PC-id_101157105	454.557	RRTDLDAXEMTIMO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-139455
CCc1cc(c2-c1ccc(cc2)C(C)C)S(=O)(=O)NCCc1ccc(cc1)OCC(=O)[O-]	GD-id_ZINC13826239	454.559	APNBPXVIVUESJA-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-139456
COc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	GD-id_ZINC13826314	454.559	BMKWNOHATXYDKX-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-139457
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CC)CC	PC-id_19102848,SCHEMBL9335845	454.56	UKEIRWDHYOVDPM-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-139458
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)OC)cc(c(=O)c(c2)C)C	SCHEMBL9850563,PC-id_67942581	454.56	IAGPCXJDDLIKMK-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-139459
CCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C)C	SCHEMBL9339366,PC-id_19102884	454.56	RUDGOKPKNLLHEO-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-139460
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)CCC(c2oc(cc2)C)C)cc1	PC-id_74802643	454.56	FIHLHDVVLTVNQU-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139461
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)CC[C@@H](c2oc(cc2)C)C)cc1	PC-id_42430442	454.56	FIHLHDVVLTVNQU-SFHVURJKSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139462
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)CC[C@H](c2oc(cc2)C)C)cc1	PC-id_42430444	454.56	FIHLHDVVLTVNQU-GOSISDBHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139463
s1c2c(CCCCC2)c(c1NC(=O)c1oc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)OC	PC-id_55763107	454.56	AJUIYEXXJSPEJS-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-139464
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)c1c(F)cccc1)C)C#N	PC-id_24659785	454.56	IWJDNCLSVPKXKA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139465
S(=O)(=O)(N1CC(CC(C)C)c2c(scc2)C(O)C1C(=O)NO)c1ccc(OC)cc1	PC-id_76509218	454.56	AUPISVMJLVAIQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139466
S(=O)(=O)(N1C[C@@H](CC(C)C)c2c(scc2)[C@H](O)[C@H]1C(=O)NO)c1ccc(OC)cc1	PC-id_57291655	454.56	AUPISVMJLVAIQA-JEBQAFNWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139467
O(C[C@@H](O)[C@@H]1NCCCc2n(nnc2)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_57338530	454.563	MBTGWSXQFXTNRB-KAYWLYCHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139468
O(CC(O)C1NCCCc2n(nnc2)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_76515700	454.563	MBTGWSXQFXTNRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139469
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1c(onc1C)C)C	PC-id_52716075	454.564	BLTOKQBEXOYVJC-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139470
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(NS(=O)(=O)c1c(onc1C)C)C	PC-id_75907908	454.564	BLTOKQBEXOYVJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139471
S(=O)(=O)(NCc1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(OC)c(OC)c1)C(C)C	PC-id_42213851	454.564	QLMIJZXQPSXQLO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139472
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(O)c(OC)c1)C(C)C)C	PC-id_74501148	454.564	VWSTYJFKPDAUNI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139473
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(O)c(OC)c1)C(C)C)C	PC-id_26353283	454.564	VWSTYJFKPDAUNI-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139474
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(O)c(OC)c1)C(C)C)C	PC-id_26353287	454.564	VWSTYJFKPDAUNI-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139475
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(CCn12)C(=O)c1ccc(cc1)C(=O)C	MCULE-6775497509,PC-id_45928990,ChEMBL-DNDi_CHEMBL13245269,EMOLS-id_232705315	454.565	LFUFHSDJEXNVQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139476
CCC[N@@H+]([C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)C)Cc1nnc(o1)c1ccco1	PC-id_41192694,GD-id_ZINC09739184	454.565	QZAURQFRPNFPMJ-OAHLLOKOSA-O	00000000101000000101100000000010000000000000000000000000	31-01-139477
CCN(CC)CCNC(=O)CNC(=O)c1cc2C(=O)N(Cc3ccccc3C)CCCn2n1	PC-id_46049776,EMOLS-id_25388112,MCULE-3756117682	454.565	RWPDAOBTQDHJOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139478
CCN(CC)CCNC(=O)CNC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	EMOLS-id_25388078,PC-id_46049746,MCULE-6162866842	454.565	WWGFCYNQRFAQRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139479
CCN(CCC(=O)NCCN(C)C)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_31704314,PC-id_42854962,MCULE-8982071909	454.565	JPMUVXAVXCLJIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139480
CCN(CCNC(=O)CNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)CC	MCULE-8533119883,PC-id_46049685,EMOLS-id_25387996	454.565	SJVFYXLIKBCTEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139481
CC(=O)c1ccc(C(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1	ZINC22_19740855	454.565	LFUFHSDJEXNVQK-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139482
CC(=O)c1ccc(C(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1	ZINC22_19740857	454.565	LFUFHSDJEXNVQK-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139483
CCOC(=O)c1cc2c(N)c(C(=O)Nc3sc4c(c3C#N)CCCCC4)sc2nc1C	EMOLS-id_30044718,CoCoCo_4893869,MCULE-6537198344,PC-id_40167444,ZINC22_32929382	454.565	IKCMCKWSQHEOCO-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-139484
COc1ccccc1c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1	PC-id_41040697,CoCoCo_4178935,ZINC22_9375914	454.565	LXOBNCROHONORN-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139485
COc1ccccc1c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1	ZINC22_9375915,CoCoCo_4178934,PC-id_41040698	454.565	LXOBNCROHONORN-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139486
COC(=O)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCCN(C)C4)n3CC2)cc1	EMOLS-id_20442133,PC-id_45180187,MCULE-7083614529	454.565	DSPHGQPBJWJYIZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139487
COC(=O)c1ccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCN(C)C4)n3CC2)cc1	CoCoCo_1189642,CoCoCo_1189639,ZINC22_14878710,CoCoCo_1189640,PC-id_26274447,CoCoCo_1189641	454.565	DSPHGQPBJWJYIZ-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139488
COC(=O)c1ccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCN(C)C4)n3CC2)cc1	CoCoCo_1189643,ZINC22_14878709,CoCoCo_1189645,PC-id_26274445,CoCoCo_1189646,CoCoCo_1189644	454.565	DSPHGQPBJWJYIZ-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139489
N#Cc1c(NC(=O)[C@H]([NH+]2CCN(CC2)c2ccccc2[N+](=O)[O-])C)sc2c1CCCCC2	GD-id_ZINC14924013	454.565	CGAZHRNAVUUWEW-MRXNPFEDSA-O	00000000100010110101100000000010000000000000000000000000	31-01-139490
N#Cc1c(NC(=O)[C@@H]([NH+]2CCN(CC2)c2ccccc2[N+](=O)[O-])C)sc2c1CCCCC2	GD-id_ZINC14924015	454.565	CGAZHRNAVUUWEW-INIZCTEOSA-O	00000000100010110101100000000010000000000000000000000000	31-01-139491
N#Cc1c(NC(=O)CN2C(=O)NC3(C2=O)CCCc2c3ccs2)sc2c1CCCCC2	PC-id_112788365	454.565	GFFPVLNJWRFXDZ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-139492
N#Cc1c(NC(=O)C(Sc2nnc(o2)c2ccccc2OC)C)sc2c1CCCCC2	MCULE-5614400875,EMOLS-id_11822709,PC-id_16371500	454.565	LXOBNCROHONORN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139493
N#Cc1c(NC(=O)CSc2nnc(o2)COc2cccc(c2)C)sc2c1CCCCC2	PC-id_112775806	454.565	FKDCJVAZMVQLFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139494
O=c1n2CCCCCc2nn1CC(=O)NC(CCC)C(=O)Nc1cc(N2CCCC2)ccc1	PC-id_56365245	454.565	UEFQGXWUIBHCIC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-139495
O=C1N(CCCn2nc(cc12)C(=O)NC(C(C)C)C(=O)NCCN(C)C)Cc1ccccc1	PC-id_46049599	454.565	RSKHQOXEFGNACO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139496
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN(CC)CC)C)Cc1ccccc1	PC-id_46159891	454.565	NLURNEWUIRCYIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139497
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+](CCC)Cc1oc(nn1)c1occc1)C)C#N	PC-id_41192691	454.565	QZAURQFRPNFPMJ-HNNXBMFYSA-O	00000000101000000101100000000010000000000000000000000000	31-01-139498
s1c2c(CCCCC2)c(c1NC(=O)C([NH+](CCC)Cc1oc(nn1)c1occc1)C)C#N	PC-id_74751914	454.565	QZAURQFRPNFPMJ-UHFFFAOYSA-O	00000000101000000101100000000010000000000000000000000000	31-01-139499
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1sc2nc(cc(c2c1N)C)C)C#N	PC-id_36208919	454.565	CTYBFSJXCNCKJQ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-139500
CCOc1ccccc1n1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_4210080,EMOLS-id_11738701,CoCoCo_3015568,ZINC22_9478410,MCULE-5916383940	454.568	NZQFAOZUXJDPJV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139501
COc1ccccc1c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1N	PC-id_2407185,MCULE-6890366670,ZINC22_3291571,CoCoCo_2862997,EMOLS-id_3114882	454.568	RBTFKJDLFJOMGG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139502
COc1ccccc1n1nnnc1SCCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_3572900,PC-id_16342204,ZINC22_9642363,EMOLS-id_11785327,MCULE-7884687174	454.568	IHVRDBKOBLPVRH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139503
COc1ccc(cc1)n1nnnc1SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	PC-id_16326258,EMOLS-id_11761354,MCULE-3972460446	454.568	YLJVQPVEEYZSIV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139504
COc1ccccc1n1nnnc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4174741,ZINC22_9726732,PC-id_41188618	454.568	VEWUYNLAUIMGFI-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139505
COc1ccccc1n1nnnc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9726728,PC-id_41188616,CoCoCo_4174742	454.568	VEWUYNLAUIMGFI-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139506
COc1ccc(C)cc1n1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-6222793512,PC-id_2411189,ZINC22_3295585,CoCoCo_3005301,EMOLS-id_43753081	454.568	WCAIEODWWNGFMW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139507
COc1ccc(n2nnnc2SCCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	MCULE-2021513999,CoCoCo_3572908,ZINC22_9217244,PC-id_16383366,EMOLS-id_11849646	454.568	CSHIKMRYUNEESZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139508
COc1ccc(n2nnnc2S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	PC-id_41187992,CoCoCo_4172563,ZINC22_9724691	454.568	YLJVQPVEEYZSIV-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139509
COc1ccc(n2nnnc2S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	PC-id_41187994,CoCoCo_4172562,ZINC22_9724696	454.568	YLJVQPVEEYZSIV-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139510
N#Cc1c(NC(=O)C(Sc2nnnn2c2ccccc2OC)C)sc2c1CCCCC2	EMOLS-id_11764074,PC-id_16328080,MCULE-8096622599	454.568	VEWUYNLAUIMGFI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139511
s1c2CCCCCc2c(c1NC(=O)CSc1n(N)c(nn1)c1ccc(OC)cc1)C#N	PC-id_2524736	454.568	ZMEYFFYTKRKZAC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139512
S(Cc1c(oc2c1cccc2)C(=O)NCc1n2CCCCCc2nn1)c1sc(nn1)C	PC-id_56185373	454.568	YXRKDWTUFLFAEV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139513
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(O)c(C(C)C)cc(C(C)C)c1)C#N	PC-id_3328235	454.582	ZUVHLDXBDWGRFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139514
CSc1ccc(cc1)C[N@@H+]1CCc2n(CC1)c(nn2)CCNC(=O)Cc1ccc(cc1)F	GD-id_ZINC12282495,PC-id_42501431	454.583	HODKHBLZFHOJEV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139515
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)C)CC)C(=O)OCC	PC-id_53293010	454.583	DSQFZEYQONKHDA-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-139516
c1(NC(=O)c2cc(C)nc3n(nc(C)c23)CCCC)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_4140529,CoCoCo_6595730,TIMTEC307957,ZINC22_13961291,MCULE-5438666685,PC-id_17026478	454.585	MHGZBRUNSHWMSY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139517
CNCC[C@@H](c1cccs1)Oc1ccc(c(c1)C)CN1CCCn2c(C1=O)cc(n2)OC	PC-id_142566886	454.585	LNRBORXMZJPWTB-NRFANRHFSA-N	00000000100100110101000000000010000000000000000000000000	31-01-139518
O1CC(C(=O)NC(c2n3CC[NH+](CCc3nn2)CC=Cc2c(OC)cccc2)C(C)C)CC1	PC-id_74781410	454.585	FQVLELOTJWUMOB-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-139519
O1C[C@H](C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)C/C=C/c2c(OC)cccc2)C(C)C)CC1	PC-id_42210683	454.585	FQVLELOTJWUMOB-IPXVJXLASA-O	00000010100000110101000000000010000000000000000000000000	31-01-139520
O1C[C@H](C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)C/C=C/c2c(OC)cccc2)C(C)C)CC1	PC-id_42210686	454.585	FQVLELOTJWUMOB-SLMGFHIASA-O	00000010100000110101000000000010000000000000000000000000	31-01-139521
s1c2c(CCCCC2)cc1C(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CCC	PC-id_74269875	454.585	NVEZJQVKGUCHKW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139522
s1c2CCCCCc2cc1C(=O)NNC(=O)C(=Cc1c(n(C(COC)C)c(c1)C)C)C#N	PC-id_55547973	454.585	NEWVYGSRHYZLEB-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-139523
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(n2c(ccc2)C(=O)OC)CC1)C#N	PC-id_56382153	454.585	PAFSLENHYIOYSL-UHFFFAOYSA-N	00000000110010000100100000000010000000000000000000000000	31-01-139524
s1c2CCCCCc2c(c1NC(=O)CCN(CC)CC(=O)Nc1ccc(OC)cc1)C#N	PC-id_16555024	454.585	DVBJWPQVAIEMOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139525
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)c1c(oc(c1)C)C)C)C#N	PC-id_55849364	454.585	MVSKVDWQKMIAKW-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-139526
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(nn1)NC(=O)C)C(=O)OCC	PC-id_23991018	454.587	NOFIHTOQYUANJN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139527
c1(C(CC(C)C)NC(=O)C)nnc2CCN(C(=O)CCc3sc4c(cccc4)n3)CCn12	ChEMBL-DNDi_CHEMBL51950998,EMOLS-id_20604903,PC-id_45217761,MCULE-4003540613	454.588	QSRVBPANNWATOH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139528
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3cnc(c4ccccc4)s3)CCn12	MCULE-8031165900,EMOLS-id_20506615,PC-id_45195034	454.588	VEKUVNYRVYGHIV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139529
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2	ZINC22_12150765	454.588	QSRVBPANNWATOH-GOSISDBHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139530
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2	ZINC22_12150766	454.588	QSRVBPANNWATOH-SFHVURJKSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139531
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2)C(C)C	CoCoCo_1280903,CoCoCo_1280902,ZINC22_11909601	454.588	VEKUVNYRVYGHIV-OAQYLSRUSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139532
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2)C(C)C	ZINC22_11909599,CoCoCo_1280905,CoCoCo_1280904	454.588	VEKUVNYRVYGHIV-NRFANRHFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139533
O=S(=O)(c1ccccc1)NCc1nnc2n1CC[N@H+](CC2)Cc1cc2c(s1)cccc2	PC-id_42340248,GD-id_ZINC11995478	454.588	GWXRJMMCXDKZQJ-UHFFFAOYSA-O	00000000100000110101000001000010000000000000000000000000	31-01-139534
s1c2c(CCCCC2)cc1C(=O)NC1CCCN(C1)c1oc(nc1)Nc1nn(c(c1)C)C	PC-id_75182888	454.588	LNFDPQNLPSMKPK-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-139535
s1c2c(CCCCC2)cc1C(=O)N[C@H]1CCCN(C1)c1oc(nc1)Nc1nn(c(c1)C)C	PC-id_46239519	454.588	LNFDPQNLPSMKPK-KRWDZBQOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-139536
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cn1c(nnc1[S-])c1ccc(cc1)C	PC-id_51512206	454.588	UDOSRVOEDVFHFD-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-139537
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CCC1)Cc1ccc(F)cc1)C#N	PC-id_24615925	454.603	IEMYMPKSNLSCQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139538
c1(c2CCCCCc2sc1NCc1cccs1)C(=O)Nc1ccc(cc1)C(=O)OCC	CoCoCo_2720546,MCULE-1935671995,SCHEMBL10077918,PC-id_3601608,EMOLS-id_16406298	454.605	WJIVQDXFEBQBMM-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-139539
CC(=O)N(c1nc(COC(=O)c2cc3c(s2)CCCCC3)cs1)c1ccc(C)cc1C	CoCoCo_2861311,MCULE-5538409890,ZINC22_13071404,PC-id_25700822,EMOLS-id_43703905	454.605	WWVWSULDCDJTII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139540
Cc1cn(c2c1C(=O)N(CCCN1CCN(CC1)c1ccccc1)CC=C2)Cc1ccccc1	SCHEMBL6769812,PC-id_22738006	454.606	MXWZEAHFSKJDKR-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-139541
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)CCCc3ccccc3)CCn12	EMOLS-id_20409808,MCULE-5370145340,ChEMBL-DNDi_CHEMBL12974346,PC-id_45172694	454.608	MQDJHQFBPSEPIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139542
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3ccc(c(C)c3C)OC)CCn12	ChEMBL-DNDi_CHEMBL19305040,EMOLS-id_20452095,MCULE-9355859302,PC-id_45182449	454.608	BNFTXTVCPOLCLU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139543
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3c(C)cc(c(C)c3)OC)CCn12	PC-id_45243839,MCULE-1432783605,ChEMBL-DNDi_CHEMBL85814378,EMOLS-id_20713263	454.608	UEDFLEAYCAMZHL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139544
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(cc3)N(CC)CC)CCn12	PC-id_45930710,MCULE-5077788865,EMOLS-id_232738953	454.608	KLXORBDAWNCXPW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139545
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)CCCc1ccccc1)CC2	PC-id_42405580,ZINC22_12097514,CoCoCo_1144777	454.608	MQDJHQFBPSEPIK-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139546
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)CCCc1ccccc1)CC2	ZINC22_12097517,CoCoCo_1144778,PC-id_42405582	454.608	MQDJHQFBPSEPIK-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139547
CCN(CC)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1	ZINC22_20996072	454.608	KLXORBDAWNCXPW-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139548
CCN(CC)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1	ZINC22_20996074	454.608	KLXORBDAWNCXPW-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-139549
COc1cc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)C4CCN(C)CC4)n3CC2)cc1C	CoCoCo_1590823,CoCoCo_1590821,CoCoCo_1590824,PC-id_26347808,ZINC22_14992707,CoCoCo_1590822	454.608	UEDFLEAYCAMZHL-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139550
COc1cc(C)c(CN2CCc3nnc([C@H](C)NC(=O)C4CCN(C)CC4)n3CC2)cc1C	CoCoCo_1590825,CoCoCo_1590828,CoCoCo_1590827,ZINC22_14992709,PC-id_26347812,CoCoCo_1590826	454.608	UEDFLEAYCAMZHL-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-139551
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCN(C)CC4)n3CC2)c(C)c1C	CoCoCo_1203143,CoCoCo_1203145,ZINC22_14882318,CoCoCo_1203144,CoCoCo_1203146,PC-id_26278114	454.608	BNFTXTVCPOLCLU-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139552
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCN(C)CC4)n3CC2)c(C)c1C	PC-id_26278116,CoCoCo_1203150,CoCoCo_1203149,CoCoCo_1203148,CoCoCo_1203147,ZINC22_14882319	454.608	BNFTXTVCPOLCLU-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-139553
CSc1ccc(cc1)C[N@H+]1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1ccco1)CC(C)C	PC-id_42417650,GD-id_ZINC12122610	454.608	GLPFOBMLPMWBSH-FQEVSTJZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139554
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(OCC=C)cccc1)C)C1CC[NH+](CC1)C	PC-id_74806457	454.608	XBHZUSISTCISEE-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-139555
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1ccc(OC)cc1)C)C1CC[NH+](CC1)C	PC-id_74804016	454.608	VJZLCRMLFFQPJC-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-139556
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1c(OC)cccc1)C)C1CC[NH+](CC1)C	PC-id_74801160	454.608	APMJMNLXIXZVAW-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-139557
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OCC=C)cccc1)C)C1CC[NH+](CC1)C	PC-id_42472615	454.608	XBHZUSISTCISEE-LJQANCHMSA-P	00000000100010110101000000000010000000000000000000000000	31-01-139558
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OCC=C)cccc1)C)C1CC[NH+](CC1)C	PC-id_42472617	454.608	XBHZUSISTCISEE-IBGZPJMESA-P	00000000100010110101000000000010000000000000000000000000	31-01-139559
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)C)C1CC[NH+](CC1)C	PC-id_42448978	454.608	VJZLCRMLFFQPJC-VZSQWMKGSA-P	00000000100010110101000000000010000000000000000000000000	31-01-139560
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)C)C1CC[NH+](CC1)C	PC-id_42448980	454.608	VJZLCRMLFFQPJC-PXPVJAHISA-P	00000000100010110101000000000010000000000000000000000000	31-01-139561
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)C)C1CC[NH+](CC1)C	PC-id_42407314	454.608	APMJMNLXIXZVAW-ZLQZBKBYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-139562
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)C)C1CC[NH+](CC1)C	PC-id_42407316	454.608	APMJMNLXIXZVAW-FNQPIQQGSA-P	00000000100010110101000000000010000000000000000000000000	31-01-139563
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CC(CCC1)c1nc(ncc1)COC)C#N	PC-id_75860706	454.608	KIABQCCNKUEZKI-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-139564
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1C[C@@H](CCC1)c1nc(ncc1)COC)C#N	PC-id_52506422	454.608	KIABQCCNKUEZKI-QGZVFWFLSA-O	00000000100010100101100000000010000000000000000000000000	31-01-139565
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1C[C@H](CCC1)c1nc(ncc1)COC)C#N	PC-id_52506424	454.608	KIABQCCNKUEZKI-KRWDZBQOSA-O	00000000100010100101100000000010000000000000000000000000	31-01-139566
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1n(c2c(n1)cccc2)CCOC)C)C#N	PC-id_27311430	454.608	WVTFEGQVWLDCGZ-HNNXBMFYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139567
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1n(c2c(n1)cccc2)CCOC)C)C#N	PC-id_27311432	454.608	WVTFEGQVWLDCGZ-OAHLLOKOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139568
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(c2c(n1)cccc2)CCOC)C)C#N	PC-id_24496581	454.608	WVTFEGQVWLDCGZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139569
s1c2CCCCCc2c(c1NC(=O)C(Sc1ncc(C(=O)N2CCCC2)cc1)C)C#N	PC-id_55535010	454.608	PUBMGIHIDWPVLF-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-139570
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(Cn2nccc2)cc1)C(=O)OCC	PC-id_20170670	454.608	DBWPFOTUFLOVIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139571
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(Cn2nccc2)ccc1)C(=O)OCC	PC-id_20171614	454.608	VCEQBAQGYRVTFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139572
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1c(cccc1)C)C(=O)OC	PC-id_19679623	454.608	IYTZNKKRQZXINF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139573
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccc(cc1)C)C(=O)OC	PC-id_20168875	454.608	QVBMIRNMOALLNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139574
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccccc1)C(=O)OCC	PC-id_20167831	454.608	KXTHNGUTVFMPJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139575
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2ccccc2)cc1)C(=O)OCC	PC-id_20171026	454.608	RDYMEMQZJJCHNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139576
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(cc2)C)cc1)C(=O)OC	PC-id_19677005	454.608	PSANPKWFQOTNNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139577
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2c(cccc2)C)cc1)C(=O)OC	PC-id_19677275	454.608	XJCHFZFJUQEXMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139578
s1c2c(CCCCC2)c(c1NC(=S)NCc1ccc(n2nccc2)cc1)C(=O)OCC	PC-id_20170344	454.608	YLHHJJHKZWGNEH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139579
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(Cn2nccc2)cc1)C(=O)OC	PC-id_20170663	454.608	OYYXICRGSHEHOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139580
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(Cn2nccc2)ccc1)C(=O)OC	PC-id_20171607	454.608	MGXITZOVSHPENU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139581
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccccc1)C(=O)OC	PC-id_20167824	454.608	JBWCZOFUYXDWTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139582
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2ccccc2)cc1)C(=O)OC	PC-id_20171019	454.608	MZKFXTLZKFDKSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139583
s1c2c(CCCCCC2)c(c1NC(=S)NCc1ccc(n2nccc2)cc1)C(=O)OC	PC-id_20170337	454.608	AJZBFUQSCTWGRC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139584
S(c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)cc1)C	PC-id_42417647	454.608	GLPFOBMLPMWBSH-HXUWFJFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139585
S(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)cc1)C	PC-id_74801486	454.608	GLPFOBMLPMWBSH-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-139586
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C(C)C)C	PC-id_74801615	454.608	UVTVLVQCAVZFGF-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-139587
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C(C)C)C	PC-id_42418593	454.608	UVTVLVQCAVZFGF-HSZRJFAPSA-O	00000000100000110101100000000010000000000000000000000000	31-01-139588
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C(C)C)C	PC-id_42418601	454.608	UVTVLVQCAVZFGF-QHCPKHFHSA-O	00000000100000110101100000000010000000000000000000000000	31-01-139589
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC)C#N	PC-id_17269121	454.611	RXQVBCDIRQNFIE-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-139590
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)C)C#N	PC-id_17303687	454.611	ZYXBIXSGSGEJOA-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-139591
s1c2CC(=O)C(C(O)C(C(OC(=O)C(C(O)C(C(O)C(Cc(c2)c1)C)C)C)CC)C)C	PC-id_21130522	454.62	VVOPEWBTQNCYDL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-139592
c1(NC(=O)CN2CCC(CC2)Cc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_6824181,EMOLS-id_4140587,CoCoCo_6824182,ZINC22_20168333,PC-id_17378348,MCULE-9801969196	454.625	LOZUMLCWROBJKF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139593
COc1nc(C)cc(c1CN1CCCc2c(C1=O)c(C)c(s2)[C@@H](C1CCC(=O)CC1)C)C	SCHEMBL18577956	454.625	FUWNZVGQZHWJMP-QGZVFWFLSA-N	00000000100010101100000000000010000000000000000000000000	31-01-139594
s1c2c(CCCCCC2)cc1C(=O)N1CCCN(CC1)C(=O)CCc1ccc(OC)cc1	PC-id_56325478	454.625	FCWKYKNWPMQTJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139595
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCC(CC1)Cc1ccccc1)C(=O)OC	PC-id_17283078	454.625	PSQKHLLLZLRVFO-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139596
O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cc2c(s1)CCCCCC2	EMOLS-id_25649329,PC-id_41311914,MCULE-1597761710,ZINC22_9992467,CoCoCo_4439612	454.626	QSAZFHGHFREVIU-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-139597
CCCC(NC(=O)C1N(Cc2ccccc2)C(=O)CS/C=CCc2c1n(CC)nc2)CC	PC-id_143555657	454.628	SDXBABXVRWEUTO-GDNBJRDFSA-N	00000000100000110111000000000010000000000000000000000000	31-01-139598
CCc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCCCC2	GD-id_ZINC15946756,PC-id_26875421	454.648	KMRBFSDHQVHERV-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-139599
CCc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CC[C@H](CC2)C)sc2c1CCCCC2	PC-id_26875419,GD-id_ZINC15946752	454.648	IQPSBPZKJQILFV-UHFFFAOYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-139600
CCC1(CC(CN1C(=O)c1c2N[C@H](CC(Cn2nc1)(C)C)/C(=C/C)/C=CC=C)OCC)CC	PC-id_137203625,SCHEMBL18867211	454.648	FWCGMOTUBYHIED-FRRDNCJBSA-N	00000010100000000101000000000010000000000000000000000000	31-01-139601
CC(=C)CC1=CCC(=Nc2n1ccn2)C(=C)N[C@H]1CCc2c1ccc(c2C)C(=C)CC(C)(C)C	PC-id_143342386	454.65	UYOLLGXXKXJYNZ-NDEPHWFRSA-N	00000010100000100111000000001010000000000000000000000000	31-01-139602
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1scc(n1)c1ccccc1	PC-id_30377060	454.651	KEGOGHWFVGFKJV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139603
C[C@@H]1CC[N@H+](CC1)Cc1nc(N[C@@H](c2nnc3n2CCCCC3)C)c2c(n1)sc(c2C)C	PC-id_25610651,GD-id_ZINC12926767	454.655	PNXZMDBIOYHXDV-QGZVFWFLSA-O	00000000100010100101000001000010000000000000000000000000	31-01-139604
s1c2nc(nc(NC(c3n4CCCCCc4nn3)C)c2c(c1C)C)C[NH+]1CCC(CC1)C	PC-id_74463879	454.655	PNXZMDBIOYHXDV-UHFFFAOYSA-O	00000000100010100101000001000010000000000000000000000000	31-01-139605
s1c2nc(nc(N[C@H](c3n4CCCCCc4nn3)C)c2c(c1C)C)C[NH+]1CCC(CC1)C	PC-id_25610646	454.655	PNXZMDBIOYHXDV-KRWDZBQOSA-O	00000000100010100101000001000010000000000000000000000000	31-01-139606
CC(C)CN1CCCc2c(C1)c(n[nH]2)C(C)CC1Cc2c(CN(C1)C(C)C)c(n[nH]2)C(C)C	SCHEMBL20033657,PC-id_134402315	454.694	CMHUVRYQPOJOTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139608
c12C(=O)N(CCCn1nc(C(=O)Nc1c(OC)cc(cc1Cl)OC)c2)Cc1ccccc1	EMOLS-id_32632792,PC-id_53086336,MCULE-7407339948	454.906	GUPGWGHHIQTUQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139609
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	MCULE-8273208065,PC-id_45184297,EMOLS-id_20460011	454.909	RZEHDHNHFGJILG-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-139610
C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	CoCoCo_1214175,CoCoCo_1214174,PC-id_28736910,ZINC22_20208097	454.909	RZEHDHNHFGJILG-AWEZNQCLSA-N	00000010100000101101000000001010000000000000000000000000	31-01-139611
C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	PC-id_28736907,ZINC22_20208093,CoCoCo_1214172,CoCoCo_1214173	454.909	RZEHDHNHFGJILG-CQSZACIVSA-N	00000010100000101101000000001010000000000000000000000000	31-01-139612
Clc1c(CNc2c([N+](=O)[O-])cc(C(=O)NCc3n4CCCCCc4nn3)cc2)cccc1	PC-id_60520489	454.909	DVYAFHPGKMVJNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139613
Clc1ccc(CN2CCN(CC2)C(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)cc1	PC-id_19527743	454.916	NATHLHMDHDQZOG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139614
Clc1cc(CN2CCN(CC2)C(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)ccc1	PC-id_19527741	454.916	OJZBLIVCBDUADU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139615
Clc1c(CN2CCN(CC2)C(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)cccc1	PC-id_19527737	454.916	LRLQZZLVGFSOLJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139616
ClC(=Cc1ccccc1)C[NH+]1CCn2c(nnc2CCNC(=O)c2ccc(F)cc2)CC1	PC-id_42371799	454.948	GYPAECMZJVRARI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139617
Cc1cn(c2c1C(=O)N(CCC2)CCN1CCOCC1)C=C1c2c(ccc(c2)Cl)NC1=O	PC-id_86702103	454.949	FMOXFFXCJGEOKB-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-139618
Clc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_25114265,SCHEMBL3135281	454.949	CYKYWNJBMJKCOI-JXAWBTAJSA-N	00000010100010100101000000001010000000000000000000000000	31-01-139619
Clc1cc2C(=Cc3[nH]c4CCCN(CCN5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68524514	454.949	CYKYWNJBMJKCOI-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-139620
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1OC	PC-id_2166894,SPECS-id_AE-848/34090088,BAS-00486772,ZINC22_2756132,EMOLS-id_1230971,MCULE-8575421610,CoCoCo_81750	454.969	KGPKTVRXCNPTNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139621
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(cc1)OC	PC-id_2251809,BAS-00486752,ZINC22_2904417,CoCoCo_81739,MCULE-1793643978	454.969	CBCHWVORCBCUDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139622
c1(c2CCCCCc2sc1NC(=O)COc1ccccc1)C(=O)Nc1ccccc1Cl	PC-id_2173658,GD-id_ZINC02811381,CoCoCo_707214,MCULE-6760312752,ZINC22_2811381,EMOLS-id_2375705	454.969	HFMLPJRUUWOSGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139623
Cc1ccc(c2ccc(/C=C/C(=O)Nc3sc4c(c3C(=O)N)CCCCC4)o2)cc1Cl	ZINC22_22537066,PC-id_22783142	454.969	GHDCONPOCLXSRO-ZRDIBKRKSA-N	00000000101000110100100000000010000000000000000000000000	31-01-139624
Clc1cc(c2oc(C=CC(=O)Nc3sc4c(CCCCC4)c3C(=O)N)cc2)ccc1C	PC-id_73982551	454.969	GHDCONPOCLXSRO-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-139625
COc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)Cl)CCCCC2	PC-id_145973523	454.969	ABFKQEVWAIPFOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139626
COc1ccccc1NC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccc(cc1)Cl	PC-id_145971555	454.969	ZQBPWRNFUYJLEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139627
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)SC)c2)Cc1ccc(cc1)Cl	PC-id_20964809,MCULE-5869231921,EMOLS-id_16324830,CoCoCo_2544645	454.972	ZEZCAMUJAOMJSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139628
Clc1ccc(Cn2nc(c3c2sc(c3)C(=O)NCc2n3CCCCCc3nn2)C)cc1	PC-id_24676687	454.976	IYINSOQEENVROD-UHFFFAOYSA-N	00000000100000110101000100000010000000000000000000000000	31-01-139629
c1(NC(=S)Nc2c(OC)cc(c(OC)c2)Cl)sc2c(CCCCC2)c1C(=O)OC	CHEMBL1416010,ChEMBL-DNDi_CHEMBL1416010,ChEMBL-DNDi_CHEMBL7795451,EMOLS-id_2003263,MCULE-8148309449,ZINC22_8682665,TIMTEC431665,PC-id_2206862,CoCoCo_992954	454.991	RPKHVWGDNYSVFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139630
Clc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_44009884	454.991	NNEDVAGAYLGSTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139631
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)c(OC)cc1OC	PC-id_19676075	454.991	CCDBNVYXQNPTNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139632
O=C/C(=Cc1[nH]c2c(c1C)C(=O)N(CCC2)CCN1CCCC1)/c1cc(Cl)ccc1NC	PC-id_145511642	454.992	OFTXFUBIRGXYNF-NBVRZTHBSA-N	00000010100000110100000000000010000000000000000000000000	31-01-139633
c1(c(Cl)c(nn1C)C)C(=O)NC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC	MCULE-3656150448,SPECS-id_AK-968/41024489,PC-id_995851,TIMTEC388097,ZINC22_649411,CoCoCo_6925898,EMOLS-id_4140927	454.994	PSPHJQXMHMKZBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139634
c1(c(Cl)c(nn1C)C)C(=O)NC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC	MCULE-5158609514,ZINC22_3626555,TIMTEC519077,PC-id_4221131,EMOLS-id_4571033,STOCK4S-18963,CoCoCo_1975276	454.994	WCPUPKBTECJLHE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139635
c1(NC(=S)NC(=O)c2c(Cl)cnn2CC)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC173304,SPECS-id_AK-968/41024432,EMOLS-id_4140929,ZINC22_649347,PC-id_995793,CoCoCo_6597964,MCULE-2889453988	454.994	GNBFJIKMPYFEQA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139636
c1(NC(=S)NC(=O)c2c(Cl)cnn2CC)sc2c(CCCCCC2)c1C(=O)OC	STOCK5S-02361,MCULE-9335516386,EMOLS-id_4647150,ZINC22_9498715,TIMTEC555722,PC-id_4203003	454.994	XRTKAEZABIQYDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139637
Clc1ncccc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1sc2CCCCCc2n1	PC-id_31124577	454.994	BNPOVEJQXQKEBH-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-139638
Clc1sc(C(=O)NC2C[C@H](N(C2)C(=O)c2sc3c(n2)CCN(CC3)C)CO)cc1	PC-id_71055949,SCHEMBL14045001	454.994	HVQNBLMZKAOUFF-KIYNQFGBSA-N	00000010100100000101000000000010000000000000000000000000	31-01-139639
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(n2)CCN(CC3)C)CO)cc1	SCHEMBL3305830,PC-id_68589319	454.994	HVQNBLMZKAOUFF-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-139640
Clc1sc(C(=O)NC2C(OC)CN(C2)C(=O)c2sc3c(n2)CCN(CC3)C)cc1	PC-id_72246296	454.994	JNCHJLSZHMTDBP-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-139641
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(n2)CCN(CC3)C)CO)cc1	SCHEMBL13394986,PC-id_59285195	454.994	HVQNBLMZKAOUFF-NEPJUHHUSA-N	00000010100100000101000000000010000000000000000000000000	31-01-139642
CC(C)C(C(=O)CC1CCCC2=C(CNC(=O)C1=O)C=NO2)NC(=O)OCC3=CC=CC=C3	PC-id_152843811	455.206	SZPXMDNZCGMQAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139662
Clc1sc(C(=O)N[C@@H]2[C@@H](OC)CN(C2)C(=O)c2sc3c(n2)CCN(CC3)C)cc1	PC-id_59285229,SCHEMBL13395100	454.994	JNCHJLSZHMTDBP-STQMWFEESA-N	00000010100100000101000000000010000000000000000000000000	31-01-139643
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2c(c1)CCN(CC2)C)CN	PC-id_77997457	455.037	PJINFOQAWOVQQR-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-139644
ClC1=CCC(S1)C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1sc2c(c1)CCN(CC2)C)CN	SCHEMBL14044951,PC-id_71055926	455.037	PJINFOQAWOVQQR-CNYCQXTOSA-N	00000011100000000100000000000010000000000000000000000000	31-01-139645
Clc1cn(nc1C)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_20174377	455.037	HCXXTZBSFFKHMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139646
Clc1c(n(nc1C)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_20174748	455.037	UDHCPZFMCCQDSC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139647
Clc1cn(nc1C)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_20174370	455.037	FAGMEWVJZKEZKM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139648
Clc1c(n(nc1)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_20174520	455.037	GKVFWCPLYKVGEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139649
Clc1c(n(nc1)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC)C	PC-id_20174513	455.037	YAZPQHOATQPGEP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139650
Clc1cn(nc1)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_20174690	455.037	JEGWBHRJMMKIPP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139651
CC(OC(=O)C1=CC=C(C=C1)COC2CCCCCC3=NNN=C23)I	PC-id_155089755	455.071	JYJFTZSWJZAIHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139652
BrCCC1CCCCn2c1c(cc2C(=O)C(F)(F)F)C#CCBr	PC-id_76023335	455.108	YHXVTVVZGQGMKL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-139653
BrCC[C@H]1CCCCn2c1c(cc2C(=O)C(F)(F)F)C#CCBr	PC-id_53360849	455.108	YHXVTVVZGQGMKL-LLVKDONJSA-N	00000000100000000100000000000010000000000000000000000000	31-01-139654
Brc1cc(Cc2c3[nH]/c(=[NH+]/C)/[nH]c3ccnc2=O)cc(Br)c1OC	GD-id_ZINC06744957,PC-id_51426346	455.124	KRAXBUZDPZIHER-UHFFFAOYSA-O	00000000100000110111000000000010000000000000000000000000	31-01-139655
CC(C)C(C(=O)CC1CC2=NC=C(S2)CNC(=O)C1=O)NC(=O)OCCOCCOC	PC-id_162205230	455.173	ZSCHIEQPNAWBBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139656
CC(C)C(C(=O)CC1CC2=C(CCCNC(=O)C1=O)C=NO2)NC(=O)OCC3=CC=CC=C3	PC-id_162175918	455.206	ZOJXWHUKHWPVPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139657
CC(C)C(C(=O)CC1CC2=C(CCCNC(=O)C1=O)OC=N2)NC(=O)OCC3=CC=CC=C3	PC-id_149590336	455.206	ZXTVDTUWDFKKCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139658
CC(C)C(C(=O)CC1CC2=NC=C(O2)CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_147729123	455.206	GYBOLMVWEMKMNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139659
CC(C)C(C(=O)CC1CCC2=C(CCNC(=O)C1=O)N=CO2)NC(=O)OCC3=CC=CC=C3	PC-id_147066926	455.206	BEHFOEBPFMFZLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139660
CC(C)C(C(=O)CC1CCC2=COC(=N2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_149192942	455.206	XDEMTALYOLKJBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139661
CC(C)C(C(=O)CC1CCCC2=C(CNC(=O)C1=O)N=CO2)NC(=O)OCC3=CC=CC=C3	PC-id_161756750	455.206	XNCCQTMBLYPWEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139663
CC(C)C(C(=O)CC1CCCC2=C(CNC(=O)C1=O)OC=N2)NC(=O)OCC3=CC=CC=C3	PC-id_161926055	455.206	YIQNDTGDWYJIRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139664
CC(C)C(C(=O)CC1CCCC2=C(CNC(=O)C1=O)ON=C2)NC(=O)OCC3=CC=CC=C3	PC-id_161665360	455.206	XBOIMCUYQPBUED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139665
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3CCS(=O)(=O)CC3	PC-id_155171388	455.209	YULBCJBFKMAVHT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-139666
CC(C)C(C(=O)CC1CC2=NC=NN2CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_160839026	455.217	SHTYHWFWNCLISM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139667
CC(C)C(C(=O)CC1CCN2C(=CN=N2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_162247479	455.217	ZXNMQITYOXTYFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139668
CC(C)C(C(=O)CC1CN2C(=CN=N2)CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_147491906	455.217	FFRSFRPIQONNIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139669
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=CC(=C3)C(=O)C	PC-id_155171332	455.242	QFGNCXGGSQHEAP-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139670
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)C(=O)C	PC-id_155171363	455.242	IBGWVZMPBQANAT-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139671
Ic1c(C(=O)NCCc2n3CCCCCc3nn2)cc([N+](=O)[O-])cc1	PC-id_52589000	455.25	AAFSHAGWPASLFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139672
C1CN(Cc2cc(nn2C1)C(=O)NCCC(=O)O)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16103094,PC-id_86345969	455.292	ALLVPRUGVIRRES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139673
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(o1)COc1ccc(cc1)Br	PC-id_112844372	455.305	DXUIFOUIJHULCB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139674
Ic1ccc(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_16509467	455.31	OHCASAAXKMFFJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139675
Ic1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1	PC-id_4154404	455.31	SQCCBKVJWFLEHC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139676
Ic1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_29385931,GD-id_ZINC21244071	455.31	DUYCCGWULQIBCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139677
CCOC(=O)c1c2C=CCC(=Cc2[nH]c1C(c1ccc(c(c1)Br)OC)(C)C)C#N	PC-id_135211044,SCHEMBL20366366	455.344	ASSUVZBSMSEQAF-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-139678
Brc1c(COc2c(C(=O)NCc3n4CCCCCc4nn3)cccc2)cccc1	PC-id_55518998	455.348	YBCVQFXMCOLIOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139679
Brc1cc(Oc2c(C(=O)NCCc3n4CCCCCc4nn3)cccc2)ccc1	PC-id_52673258	455.348	ZRNIUKIBIIYVEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139680
Clc1cc(C=NOCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1Cl	MCULE-4943265116,EMOLS-id_26055646,PC-id_4855015	455.355	GCXKJBBRTFBWTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139681
COC(=O)c1c(NC(=O)CO/N=Cc2ccc(c(c2)Cl)Cl)sc2c1CCCCC2	CoCoCo_3159527	455.355	GCXKJBBRTFBWTK-RMORIDSASA-N	00000000100000110100000000000010000000000000000000000000	31-01-139682
COC(=O)c1c(NC(=O)CO/N=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2	PC-id_9684738,CoCoCo_3159526,ZINC22_13148204	455.355	GCXKJBBRTFBWTK-AUEPDCJTSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139683
OC(C(F)(F)F)C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	PC-id_140762728	455.356	QVLHGNSLWWPDGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139684
OC(C(F)(F)F)[C@@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353392	455.356	QVLHGNSLWWPDGP-XLLULAGJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139685
OC[C@@H]1NS(=O)(=O)c2c(O[C@H]1C(F)(F)F)c(n(c2)C)C(=O)Nc1ccc(c(c1)F)F	SCHEMBL18353553	455.356	KRXMSDHKCJDPJL-IINYFYTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139686
[O-][N+](=O)C(Cc1n[nH]c2=C(F)C=CCC=c12)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F	PC-id_143652817	455.366	NTIPXNRJFBBLID-UHFFFAOYSA-N	00000000100010000111000000010010000000000000000000000000	31-01-139687
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)NC(=O)c1ccccc1Br	PC-id_139709951	455.367	DVKSTXMTQOXCRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139688
Brc1ccc(cc1)CS(=O)(=O)CC(=O)NCCc1nnc2n1CCCCC2	PC-id_112827160	455.369	RVSIVUVQUBHCNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139689
Brc1cc(CS(=O)(=O)CC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_56030645	455.369	YWJHQJKLJZVFLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139690
CNC(=O)[C@H](Cc1cscn1)NC(=O)Cc1nc(n2c1CN(C)CCC2)Br	PC-id_140172222	455.373	BFPQPTLJBFYRCK-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139691
Clc1ccc(cc1)Cn1c(C)c(c2c1CCCCC2)C(=O)C(=O)Nc1cccc(c1)Cl	PC-id_67236655,SCHEMBL1982597	455.376	NINRLNFCUCDWIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139692
FC(F)(F)Oc1ccc(C(=O)N2CC(C2)CN2CCn3c(OCC2)nc([N+](=O)[O-])c3)cc1	PC-id_71570590,SCHEMBL14965524	455.388	AHYBUAPWCQAUCC-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-139693
FC(F)(F)Oc1cc(C(=O)N2CC(C2)CN2CCn3c(OCC2)nc([N+](=O)[O-])c3)ccc1	PC-id_71570589,SCHEMBL14965621	455.388	LEZVSFDWJBOAQN-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-139694
Clc1c(OCCCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)ccc(Cl)c1	PC-id_4416515	455.398	TYPUPVXGBBTMBT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139695
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccc4c(OCO4)c3)CCn12	MCULE-2757267385,ChEMBL-DNDi_CHEMBL13830651,EMOLS-id_20416026,PC-id_45174136	455.457	SKSFETBFEHHLPF-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-139696
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	PC-id_42324980,ZINC22_11973923,CoCoCo_1153354,CoCoCo_1153353	455.457	SKSFETBFEHHLPF-CQSZACIVSA-N	00000010100000110101000000001010000000000000000000000000	31-01-139697
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	ZINC22_11973930,PC-id_42324986,CoCoCo_1153356,CoCoCo_1153355	455.457	SKSFETBFEHHLPF-AWEZNQCLSA-N	00000010100000110101000000001010000000000000000000000000	31-01-139698
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O=C1[C@H](CCn2c(N1C)cc(n2)C[C@@H]1CC1(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366952	455.461	WJLXHCHVODOJSI-WBVHZDCISA-N	00100000100000110101000000000010000000000000000000000000	31-01-139700
O=C1[C@H](CCn2c(N1C)cc(n2)C[C@H]1CC1(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366955	455.461	WJLXHCHVODOJSI-RDJZCZTQSA-N	00100000100000110101000000000010000000000000000000000000	31-01-139701
COCCOCCOC(=O)NC(C(=O)NC1Cc2nnoc2CCNC(=O)C1=O)C(C)C	SCHEMBL21109169,PC-id_138730020	455.462	ZVDKNOFLLSCKMX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139702
COCCOCCOC(=O)NC(C(=O)NC1CCc2nnoc2CNC(=O)C1=O)C(C)C	SCHEMBL21109728,PC-id_138730573	455.462	WQJRVQDWRHBBQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139703
COCCOCCOC(=O)NC(C(=O)NC1CCc2onnc2CNC(=O)C1=O)C(C)C	SCHEMBL21109493,PC-id_138730339	455.462	PQXJAHIRQZXDGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139704
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OC[C@@H](NS2(=O)=O)Cc1cccnc1	SCHEMBL18352831	455.462	BLNSJHSCFJHROF-INIZCTEOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-139705
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OCC(NS2(=O)=O)Cc1cccnc1	PC-id_139462804,SCHEMBL21327940	455.462	BLNSJHSCFJHROF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-139706
Cc1c(cc(cc1)NC(=O)Nc1cc(ccc1)[N+](=O)[O-])N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478258	455.465	FBIZUWKELZHKLS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139707
O=C(Nc1cccc(c1)[N+](=O)[O-])Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076569	455.465	FBIZUWKELZHKLS-WGOQTCKBSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139708
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)c1c(F)cccc1F	PC-id_55583567	455.479	RFDQRKHOIFTJMW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139709
OC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCCN(P(=O)(O)O)c1ccccc1C	PC-id_19914792,SCHEMBL9627914	455.483	ZRTJXOXNZSJMDW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139710
s1c2CCCCCc2c(c1NC(=O)CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)C#N	PC-id_19059649	455.484	XQDXEPJUYWLXJX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139711
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNC(=O)c1cc2OCOc2cc1)C#N	PC-id_35691522	455.484	VUDAOHHGUNVQAE-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-139712
CCOCCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367423	455.485	SLZAKIDVLQGPRP-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139713
CCOCCc1nn2c(c1)N(C)C(=O)[C@@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367424	455.485	SLZAKIDVLQGPRP-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139714
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(n2nnnc2)cc1)C(=O)OC	PC-id_2535511	455.487	IGIILIDYBFCTTF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139715
CCC(CC)n1c(c2CCN(CCc2n1)C(=O)OC(C)(C)C)OS(=O)(=O)C(F)(F)F	PC-id_86598378,SCHEMBL2074189	455.492	BDIXFOGGHNYBJU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139716
O=C(CSc1nnc2n1CCCCC2)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC22_9672670,EMOLS-id_11715077,CoCoCo_3082124,MCULE-7849810797,PC-id_16295346	455.497	PLJREUUCXVJYKC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139717
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccccc3OCC)CCn12	PC-id_45193630,MCULE-9950845127,EMOLS-id_20500411,ChEMBL-DNDi_CHEMBL27892901	455.5	YBDBVLNCOGLQCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139718
CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)c3cc(F)ccc3F)n2CC1	CoCoCo_1271929,CoCoCo_1271930,PC-id_29087928,ZINC22_20600773	455.5	YBDBVLNCOGLQCW-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139719
CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)c3cc(F)ccc3F)n2CC1	CoCoCo_1271931,PC-id_29087929,CoCoCo_1271932,ZINC22_20600774	455.5	YBDBVLNCOGLQCW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139720
s1c2c(CCCCC2)c(c1NC(=O)c1nn(c(cc1=O)C)c1c(F)cccc1)C(=O)OC	PC-id_52638608	455.502	JRXRXESEUANMQB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139721
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C1ON=C(C1)c1cc(F)ccc1)C)C#N	PC-id_56008332	455.502	SHKFWNMTBPREDA-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-139722
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(CCn12)C(=O)C1=CC(=O)CC(O1)(C)C	EMOLS-id_232751368,MCULE-6559548959,PC-id_45216641	455.507	OYMCBAVDFFZLRQ-UHFFFAOYSA-N	00000000101011000101000000000010000000000000000000000000	31-01-139723
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)C1=CC(=O)CC(C)(C)O1)CC2	CoCoCo_1418883,ZINC22_12047455	455.507	OYMCBAVDFFZLRQ-IBGZPJMESA-N	00000000101011000101000000000010000000000000000000000000	31-01-139724
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)C1=CC(=O)CC(C)(C)O1)CC2	ZINC22_12047453,CoCoCo_1418884	455.507	OYMCBAVDFFZLRQ-LJQANCHMSA-N	00000000101011000101000000000010000000000000000000000000	31-01-139725
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c(OC)c1OC	CoCoCo_1171174,MCULE-2567858637,ZINC22_19836033,EMOLS-id_20428977,CoCoCo_1171173,PC-id_28389226	455.507	ZILZJACSGFMXHU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139726
COc1cc(OC)c(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c(OC)c1	ZINC22_20455501,CoCoCo_1249756,CoCoCo_1249757,EMOLS-id_20484989,PC-id_28957821,MCULE-4354615159	455.507	BKVILFLKKYUEKW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139727
COc1cc(OC)c(OC)cc1CN1CCc2nnc(CCNC(=O)c3ccco3)n2CC1	CoCoCo_1404877,ChEMBL-DNDi_CHEMBL48299232,EMOLS-id_20591019,ZINC22_14999850,MCULE-9687869732,PC-id_26355614,CoCoCo_1404876	455.507	MFNYURHYRKLVAR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139728
COc1cc(OC)c(OC)cc1CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1	EMOLS-id_20585457,MCULE-1523287352,PC-id_26351473,CoCoCo_1396614,ZINC22_14995855,CoCoCo_1396615	455.507	UODLKWIFAIMTBD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139729
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cccc(OC)c2OC)CC3)o1	MCULE-7155649738,EMOLS-id_20391012,PC-id_42212893,CoCoCo_1119881,CoCoCo_1119880,ZINC22_11841020,ChEMBL-DNDi_CHEMBL10430288	455.507	CPBXOMPNEVNHOM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139730
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cccc(OCCO)c2)CC3)o1	PC-id_26349603,ChEMBL-DNDi_CHEMBL46167972,MCULE-6652479336,ZINC22_14994239,CoCoCo_1392008,CoCoCo_1392009,EMOLS-id_20582391	455.507	LXYQUNGMUIAFJP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139731
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(OC)cc2OC)CC3)o1	PC-id_42320382,MCULE-5098037382,CoCoCo_1133193,EMOLS-id_20401038,ZINC22_11967449,CoCoCo_1133194	455.507	GGIJXGKLUXBLEP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139732
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(OCCO)cc2)CC3)o1	ZINC22_12150039,PC-id_42430179,CoCoCo_1421119,EMOLS-id_20601961,CoCoCo_1421120,ChEMBL-DNDi_CHEMBL51167616,MCULE-6952248773	455.507	WKEBOJUMOAWNTF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139733
O=C(NC(C(=O)NC1Cc2ccnn2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731021,SCHEMBL21110179	455.507	IOWSHIYPSUHJKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139734
S(=O)(=O)(NCCCCc1c2-c(c(c1)C(=O)OC)ccc(C(O)(C)C)cc2)c1ccccc1	PC-id_10950526	455.566	QINIKTJFNJDKIY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139847
O=C(NC(C(=O)NC1Cc2cncn2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109219,PC-id_138730068	455.507	GFNHHJZQBQCVEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139735
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O=C(NC(C(=O)NC1CCn2cncc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109546,PC-id_138730392	455.507	AEENRLVBAQGXCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139745
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O=C(NC(C(=O)NC1Cn2nccc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730630,SCHEMBL21109785	455.507	OYHODFINGKEFRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139749
O=C(Nc1c(F)cccc1F)NCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	PC-id_21083263,SCHEMBL5232002	455.52	LONCDFCRIQIWCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139750
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(CCn12)C(=O)C(=Cc1ccccc1)F	MCULE-3670147438,PC-id_45236353	455.525	MPKHXIVRWZICHP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139751
C1(CNC(=O)CCN(CC)C(=O)c2cc3n(n2)CCCN(Cc2ccc(cc2)F)C3=O)CC1	MCULE-8984102600,PC-id_46049537,EMOLS-id_25387070	455.525	SOSXHPDYTUFXBW-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-139752
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1cc2[nH]cnc2cc1)C(=O)OCC	PC-id_23859921	455.527	WQFLOOSVVRTBMN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139788
C1N(CCC1)C(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1ccc(cc1)F)C2=O	EMOLS-id_25387562,PC-id_46049539,MCULE-6758438078	455.525	GRSRKNYLXVHDGP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139753
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)/C(=C/c1ccccc1)/F)CC2	CoCoCo_1544366,ZINC22_12457208	455.525	MPKHXIVRWZICHP-XXTYHDSZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139754
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)/C(=C/c1ccccc1)/F)CC2	CoCoCo_1544369,ZINC22_12457212	455.525	MPKHXIVRWZICHP-KYSVXTPLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139755
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)/C(=C/c1ccccc1)/F)CC2	ZINC22_12457214,CoCoCo_1544364	455.525	MPKHXIVRWZICHP-HMNRURFUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139756
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COc1ccc(c(c1)CN1CCc2n(CC1)c(nn2)C(NC(=O)c1ccco1)CC(C)C)F	ChEMBL-DNDi_CHEMBL34143758,PC-id_45200460	455.525	NVRIVGBNUHLUPV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139765
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NC2CCCCC2)cc1	PC-id_46159951	455.525	IGUIJYYFACMASG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139766
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NC2CCCCC2)C)cc1	PC-id_42855040	455.525	BLOSGPSEXQUILL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139767
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NC2CCCCC2)C)cc1	PC-id_46159944	455.525	FYDDMIDSZUVRKW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139768
FC(=Cc1ccccc1)C(=O)N1CCn2c(nnc2CC1)[C@H](NC(=O)[C@@H]1CCOC1)C(C)C	PC-id_25296170	455.525	MPKHXIVRWZICHP-WIYYLYMNSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139769
OCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccccc1)C(=O)OC)C	PC-id_139605592	455.566	RVIGCSYCZYMIKH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139843
FC(=Cc1ccccc1)C(=O)N1CCn2c(nnc2CC1)[C@@H](NC(=O)[C@@H]1CCOC1)C(C)C	PC-id_25296173	455.525	MPKHXIVRWZICHP-NQIIRXRSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139770
FC(=Cc1ccccc1)C(=O)N1CCn2c(nnc2CC1)[C@H](NC(=O)[C@H]1CCOC1)C(C)C	PC-id_25296175	455.525	MPKHXIVRWZICHP-GHTZIAJQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139771
FC(=Cc1ccccc1)C(=O)N1CCn2c(nnc2CC1)[C@@H](NC(=O)[C@H]1CCOC1)C(C)C	PC-id_25296177	455.525	MPKHXIVRWZICHP-RXVVDRJESA-N	00000010100000110101000000000010000000000000000000000000	31-01-139772
ON=C1CCN(C(=O)c2c1ccn2CC)CCCN1CCN(CC1)C(=O)c1ccc(cc1)F	PC-id_142638782	455.525	OVCFBPNKLJOWGZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139773
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNc1ccc(cc1)F)Cc1ccccc1	PC-id_134805943	455.527	BEFPJLPMEPMMSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139774
CC(C)CC(N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1nc2CCCCCc2s1)C(=O)O	EMOLS-id_334603634,MCULE-8078308089	455.527	AHGMDCUPAOWWQL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-139775
CC(C)CC(N1C(=O)c2ccc(cc2C1=O)C(=O)O)C(=O)Nc1nc2CCCCCc2s1	MCULE-3474699229,EMOLS-id_334603378	455.527	JQYFSRGSGKIEHG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-139776
CCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_3292637,EMOLS-id_3081781,CoCoCo_2948966,PC-id_2408208,MCULE-5607368913	455.527	FDXHJFSVMCIYEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139777
CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	PC-id_2409663,EMOLS-id_3082978,CoCoCo_3067551,ZINC22_3294044,MCULE-2292961546	455.527	ASQAGFRHVZUMSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139778
CC(=O)N1CCC(CC1)S(=O)(=O)c1ccc(cc1)CNC(=O)c1cc2c(o1)C=NC=CC2	PC-id_145628453	455.527	KXPYLXXOPXBGEI-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-139779
COC(=O)c1c(NC(=O)CN2C(=O)NC(C2=O)(C)c2ccccc2)sc2c1CCCCC2	PC-id_16383449,MCULE-3561229351,EMOLS-id_11849888	455.527	UCVBUBRRECUJFH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-139780
COC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)sc2c1CCCCC2	PC-id_40972542,ZINC22_9217792,CoCoCo_2790008	455.527	UCVBUBRRECUJFH-QHCPKHFHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-139781
COC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)sc2c1CCCCC2	PC-id_40972543,CoCoCo_2790007,ZINC22_9217793	455.527	UCVBUBRRECUJFH-HSZRJFAPSA-N	00000010100000110101100000000010000000000000000000000000	31-01-139782
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc2[nH]cnc2cc1)CC)C(=O)OC	PC-id_24000182	455.527	PCTPXZRDRTYIJO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139783
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc2[nH]cnc2cc1)C)C(=O)OCC	PC-id_23972074	455.527	UIRFAKPRCDPRGC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139784
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1noc(c2c(OC)ccc(OC)c2)c1	PC-id_56212984	455.527	PVNUUYQRDZJBEC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139785
s1c2CCCCCCc2cc1C(=O)OCc1onc(n1)CC(=O)Nc1c(OC)cccc1	PC-id_45655416	455.527	MMTSNDHHJBXLIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139786
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc2[nH]cnc2cc1)C)C(=O)OC	PC-id_24082856	455.527	QZVIJGJICGPVNE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-139787
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(c1)C)cccc(c2)C(C)C	PC-id_10456713	455.566	DJPKJKYIWRKALM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139844
CC(Oc1cc(Oc2nc3c(s2)C(=O)N(CCC3)C)cc(c1)C(=O)Nc1ccn(n1)C)C	PC-id_15953201,SCHEMBL2071913	455.53	FTHOWFFHNQVXTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139789
COC(=O)c1ccc(cc1)CN1CCc2n(CC1)c(nn2)CNS(=O)(=O)c1ccccc1	CoCoCo_1146260,EMOLS-id_20410910,PC-id_28309806,CoCoCo_1146261	455.53	WCYQARRAGVSACV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139790
S(=O)(=O)(Nc1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1)c1ccc(cc1)C	PC-id_55570834	455.53	KSOMIFGUWXMRND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139791
S(=O)(=O)(Nc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1C)c1ccccc1	PC-id_55721285	455.53	QXBOOXLDQLISER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139792
S(=O)(=O)(Nc1c(OC)cccc1)c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_55502595	455.53	UFOJBMUYITZFGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139793
N#C/C(=c
/s/c(=Cc2ccc(cc2)O)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3722308,PC-id_2309049	455.532	BXVCKXBYRZTIAW-BBMOIHPLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139794
N#C/C(=c/1s/c(=C/c2ccc(cc2)O)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3722310	455.532	BXVCKXBYRZTIAW-LQPBJRFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139795
N#C/C(=c
/s/c(=C/c2ccc(cc2)O)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3722311	455.532	BXVCKXBYRZTIAW-UCMJAKSHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139796
N#CC(=c1sc(=Cc2ccc(cc2)O)c(=O)n1c1ccccc1)c1nnc2n1CCCCC2	MCULE-6139980103,EMOLS-id_44489605,PC-id_5054766	455.532	BXVCKXBYRZTIAW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139797
N#C/C(=c/1s/c(=Cc2ccc(cc2)O)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	PC-id_2309051,CoCoCo_3722309	455.532	BXVCKXBYRZTIAW-DDJQOXGASA-N	00000000100000110101100000000010000000000000000000000000	31-01-139798
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1ccc(O)cc1)c1ccccc1	PC-id_2309052	455.532	BXVCKXBYRZTIAW-KCUSKQSCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139799
c12c(OCC)cc(cc(=Nc3ccc(cc3)OC)c1c(oc2C)C)C=Cc1ccccc1OC	MCULE-7533105940,CNP0367065	455.545	SADQZRAPBILRJV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-139800
CCOc1cc(/C=C/c2ccccc2OC)c/c(=Nc2ccc(cc2)OC)/c2c1c(C)oc2C	EMOLS-id_26406001,PC-id_1561736,STOCK1N-21404,ZINC22_9186645	455.545	SADQZRAPBILRJV-ANZPFRFBSA-N	00000000100000110110000000000010000000000000000000000000	31-01-139801
Fc1ccc(cc1)CC1CCCCc2c1n(nc2C(=O)NCc1ccccc1)S(=O)(=O)C	SCHEMBL176489,PC-id_58882491	455.545	QISVRBHCXMQCGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139802
o1c(c2c(c1C)/c(=N/c1ccc(OC)cc1)/cc(cc2OCC)C=Cc1c(OC)cccc1)C	PC-id_4667608	455.545	SADQZRAPBILRJV-IVDHPCCFSA-N	00000000100000110110000000000010000000000000000000000000	31-01-139803
O/N=C/1CCN(C(=O)c2c1ccn2CCCC[N@@H+]1CC[C@@H](CC1)C(=O)c1ccc(cc1)F)C	GLL_PC-id_9911796	455.545	NJODDWBWSIFQMT-HPNDGRJYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-139804
O/N=C/1CCN(C(=O)c2c1cn(c2)CCCC[N@@H+]1CC[C@H](CC1)C(=O)c1ccc(cc1)F)C	GLL_PC-id_44214572	455.545	SWNNWUIBTHORFO-SLEBQGDGSA-O	00000000100010110100000000000010000000000000000000000000	31-01-139805
O(c1ccc(N(c2ccc(cc2)C#Cc2c3-c(cc2)ccccc3)c2ccc(OC)cc2)cc1)C	PC-id_86099073	455.546	IBJRXFQYIJPUPV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139806
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(c1)C)ccc(C(C)C)cc2	PC-id_10343997	455.566	NTOPHMCNDLRPEU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139845
FC/C=CC(=C/C)[C@@H]1CCCn2c(C1)nc(n2)N/C(=C/C=C(/N1N=CN=C(C1)C)C(=C)F)/C	PC-id_144028684	455.547	PQTCVHQMCVBABT-KPQQNTPMSA-N	00000000100011000101000000000010000000000000000000000000	31-01-139807
CCc1cc(nn1CC(=O)N1CCc2c(CC1)nc(s2)NC(=O)C)c1ccc(c(c1)C)F	SCHEMBL15001894,PC-id_89607821	455.548	ONVYFNSDRURVLQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139808
[Na+].c12-c(c(cc1C(=O)[O-])CCC/C=N/N=C(/Nc1ccccc1)S)ccc(cc2)C(C)C	CHEMBL47635	455.548	CSRJGNIDCWBRIV-UUXIZDQESA-M	00000010100000110110000000000010000000000000000000000000	31-01-139809
O(C1C(OCc2ccccc2)Cc2n(nnc2)CC1OCc1ccccc1)Cc1ccccc1	PC-id_73072447	455.548	WFDAPNARKSTVMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139810
O([C@H]1[C@H](OCc2ccccc2)Cc2n(nnc2)C[C@H]1OCc1ccccc1)Cc1ccccc1	PC-id_11719472	455.548	WFDAPNARKSTVMS-FCEKVYKBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139811
CCCNC(=O)CCN(CCOC)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25388178,PC-id_46049940,MCULE-2586572393	455.55	INCUXKIOUPTJPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139812
CCN(CCC(=O)NCCOC)C(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	PC-id_46050019,EMOLS-id_25387774,MCULE-9943841607	455.55	FCGIHVAJETVAOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139813
C(NC(=O)CCN(CCOC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)(C)C	MCULE-7614133252,PC-id_46049931,EMOLS-id_25388564	455.55	IJGBSSOBVHBPEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139814
COc1cc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc2c1OCO2	ZINC22_19744368,MCULE-9429164391,CoCoCo_1161564,PC-id_28312426,CoCoCo_1161563,EMOLS-id_20422073	455.55	KJLPYLVERDIHOD-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-139815
COCCN(C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)CCC(=O)N(CC)C	EMOLS-id_25387272,MCULE-7491355942,PC-id_46049630	455.55	RTZSAXKCXIHAER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139816
COCCNC(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)CC	MCULE-3339899061,EMOLS-id_25387796,PC-id_46049972	455.55	VQNLOPOBOCQGOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139817
O1C(CCC1)CN(C(=O)Cn1nc2n(CCCCC2)c1=O)CC(=O)Nc1c(c(ccc1)C)C	PC-id_55583062	455.55	KWWZDWMULAGFCL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139818
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NCCOC)Cc1ccccc1	PC-id_46049897	455.55	NYNPCDBKNKNILM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139819
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCCOC)CC)Cc1c(cccc1)C	PC-id_46050055	455.55	KNKYRZWJWWGEAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139820
O(CC(=O)N1CCCC1)c1c(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)CC)cccc1	PC-id_55902562	455.55	YWXCZRMISIJDPH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139821
O=C(N1CCCN(CC1)C(=O)CCc1ccc(OC)cc1)Cn1nc2n(CCCCC2)c1=O	PC-id_56326634	455.55	BIWCJCXEMPFPDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139822
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1nc(sc1C)c1occc1)C)C#N	PC-id_55569256	455.55	RCLDSYUITSUIQL-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139823
c12C(=O)N(CCCn1nc(C(=O)NCCc1c[nH]c3ccc(C)cc13)c2)Cc1ccc(cc1)C	MCULE-2532211800,PC-id_50797877,EMOLS-id_32846146	455.551	SJAPEZXJYJTYFU-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-139824
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3)c3ccccc3C)CCn12	PC-id_45196669,EMOLS-id_20513975,MCULE-5304423204	455.551	XHAVYKSRSRHVKH-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-139825
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(c4ccccc4C)c3)CCn12	MCULE-4089668576,PC-id_45216813,EMOLS-id_20601099	455.551	WHDAHFNAHJSWLM-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-139826
Cc1ccccc1c1cccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1	ZINC22_14878818,PC-id_26274568,EMOLS-id_20442603,CoCoCo_1190194,MCULE-4361617512,CoCoCo_1190193	455.551	NRIOQCRAOBDVFI-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-139827
Cc1ccccc1c1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1	CoCoCo_1419867,CoCoCo_1419866,PC-id_28133415,ZINC22_19299855	455.551	WHDAHFNAHJSWLM-FQEVSTJZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-139828
Cc1ccccc1c1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c1	ZINC22_19299853,CoCoCo_1419864,PC-id_28133414,CoCoCo_1419865	455.551	WHDAHFNAHJSWLM-HXUWFJFHSA-N	00000000101000110101100000000010000000000000000000000000	31-01-139829
Cc1ccccc1c1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1	CoCoCo_1483034,CoCoCo_1483033,MCULE-3122742076,EMOLS-id_20642901,ZINC22_14981098,PC-id_26336723	455.551	WJDAKOXKBBQKFE-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-139830
Cc1ccccc1c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1	CoCoCo_1291522,PC-id_29151310,ZINC22_20779206,CoCoCo_1291523	455.551	XHAVYKSRSRHVKH-HXUWFJFHSA-N	00000000101000110101100000000010000000000000000000000000	31-01-139831
Cc1ccccc1c1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1	CoCoCo_1291524,CoCoCo_1291525,ZINC22_20779210,PC-id_29151312	455.551	XHAVYKSRSRHVKH-FQEVSTJZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-139832
N#CC(=Cc1ccc(cc1)OCC(=O)Nc1ccccc1C(C)C)c1nnc2n1CCCCC2	MCULE-9663220661,PC-id_4326583,EMOLS-id_26185671	455.551	LZOFUJWQBXEMFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139833
N#C/C(=Cc1ccc(cc1)OCC(=O)Nc1ccccc1C(C)C)/c1nnc2n1CCCCC2	PC-id_6070309,CoCoCo_3790174	455.551	LZOFUJWQBXEMFX-LTGZKZEYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139834
N#C/C(=C/c1ccc(cc1)OCC(=O)Nc1ccccc1C(C)C)/c1nnc2n1CCCCC2	PC-id_75459648,CoCoCo_3790173	455.551	LZOFUJWQBXEMFX-PGMHBOJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139835
O=C(c1cocc1)NCCc1nnc2n1CCN(CC2)CC(c1ccccc1)c1ccccc1	CoCoCo_1477214,EMOLS-id_20639151,CoCoCo_1477213,MCULE-6771329947,PC-id_26334462	455.551	DGSMXNOPCITKQJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-139836
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CNCC(=O)N[C@H]2Cc1ccccc1	MCULE-8492840385,PC-id_135101880,ZINC22_1704318851,EMOLS-id_317362568	455.553	SKGKRZSOTNDHLL-AYOQOUSVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139837
Cc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(O)(C)C)C(=O)O	PC-id_139605600	455.566	QLJQWGMLJGEQGK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139838
CCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1cccc(c2)C(C)C	PC-id_10343998,CHEMBL433920	455.566	UFDITWSJZMRYBW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139839
CCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1ccc(cc2)C(C)C	PC-id_10389301,CHEMBL167948	455.566	APNBPXVIVUESJA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139840
COc1ccc(S(=O)(=O)NCCCCc2cc(C(=O)O)c3-c2ccc(cc3)C(C)C)cc1	CHEMBL77097,SCHEMBL9627445,PC-id_10253507	455.566	BMKWNOHATXYDKX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139841
OCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)C)C(=O)O)C	PC-id_139605620	455.566	ZQOXIJFRZAIONL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-139842
CCCCn1ccc2c1C(=O)N(CCCN1CCN(CC1)c1ccc(cc1)F)CC/C/2=N/O	PC-id_102005241	455.568	BDULLHAIAWOXJK-VYIQYICTSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139848
Fc1ccc(N2CCN(CC2)CCCN2CCC(=NO)c3c(n(CCCC)cc3)C2=O)cc1	PC-id_10503955	455.568	BDULLHAIAWOXJK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139849
COCCOC1=CCC[n+]2c(C=C1)n(CC(=O)c1cc(COC)cc(c1)C(C)(C)C)nc2N	PC-id_143842749	455.57	QMCDWEQPTSGDRS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-139850
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)COc1ccccc1	PC-id_55634767	455.57	YUUSYDYGXDUGSM-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139851
s1c2c(CCCCC2)c(c1NC(=O)C1CCN(CC1)C(=O)COc1ccccc1)C(=O)N	PC-id_55630224	455.57	BPNCGLBONXPMSY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139852
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1)C(=O)OCC	PC-id_19660244	455.57	LJOJIOXSMUCSKG-AFUMVMLFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139853
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(C(C)C)cc1)C(=O)OCC	PC-id_73634707	455.57	LJOJIOXSMUCSKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139854
S(=O)(=O)(NC(CCSC)C(=O)NCc1n2CCCCCc2nn1)c1c(F)cccc1	PC-id_55452792	455.57	TZZQQSKDLCOZRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139855
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)c1ccc(F)cc1)C#N	PC-id_19729624	455.571	XDNAMPDSXSBTBA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139856
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(F)cc1)C)C#N	PC-id_19729564	455.571	NBHUAHWSHGLMHG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139857
CC1=CC(=Nc2n(C1)nc(c2C(=O)NCc1ccc(cc1)S(=O)(=O)N1CCCCC1)C)C	PC-id_145628831	455.573	ZFWYGZATVCZOHW-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-139858
CC(C[C@@H](c1nnc2n1CCN(CC2)C(=O)c1ccc(cc1)C(=O)C)NC(=O)C[NH+](C)C)C	GD-id_ZINC19740857	455.573	LFUFHSDJEXNVQK-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139859
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(cc1)S(=O)(=O)N1CC(C)CC(C1)C	PC-id_112772622	455.573	PHMXCYOLBXFDRX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139860
N#CC(c1nnc2n1CCCCC2)C(=O)c1cccc(c1)S(=O)(=O)N1CC(C)CC(C1)C	PC-id_112772628	455.573	FEKWXWVOTZNGPT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139861
N#CC(=C(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)C(=C(C#N)C#N)[C]1[CH][CH][CH][CH]1)C#N	PC-id_71725444	455.573	WSNZCGZUQUNUCU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-139862
O=C(NCCc1n2CCN(CCc2nn1)Cc1ccc(cc1)C(=O)OC)C1C[NH+](CCC1)C	PC-id_75670124	455.573	DSPHGQPBJWJYIZ-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-139863
O=C(NCCc1n2CCN(CCc2nn1)Cc1ccc(cc1)C(=O)OC)[C@H]1C[NH+](CCC1)C	PC-id_51537581	455.573	DSPHGQPBJWJYIZ-HXUWFJFHSA-O	00000000100010110101000000000010000000000000000000000000	31-01-139864
O=C(NCCc1n2CCN(CCc2nn1)Cc1ccc(cc1)C(=O)OC)[C@@H]1C[NH+](CCC1)C	PC-id_51537582	455.573	DSPHGQPBJWJYIZ-FQEVSTJZSA-O	00000000100010110101000000000010000000000000000000000000	31-01-139865
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1sc2[nH+]c(cc(c2c1N)C)C)C#N	PC-id_36208918	455.573	CTYBFSJXCNCKJQ-UHFFFAOYSA-O	00000000100000100100000001000010000000000000000000000000	31-01-139866
S1C(=C(c2n3CCCCCc3nn2)C#N)N(C(=C1)c1ccc(OC)cc1)Cc1ccccc1	PC-id_4278411	455.575	UHBZVSNNXZLYSF-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-139867
COc1ccc(c2noc(CN3CCN(Cn4nc5n(c4=S)CCCCC5)CC3)n2)cc1	CoCoCo_4556167,ZINC22_22934860,EMOLS-id_15277858,CoCoCo_4556168,PC-id_30740843,MCULE-6508916991	455.576	KEUGADIFIXVPSC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139868
CC1=CCCCC(=Nc2c(cc(cc2)F)OC2CCOCC2)c2c(CC1)sc(c2)C(=O)C	PC-id_91367222	455.585	UFIOKXREKMIYDF-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-139869
Cc1cc(c2-c(c(cc2)C=C2c3ccccc3N(C2=O)C(c2ccccc2)C(=C)C=C)c(c1)C)C	SCHEMBL3283717,PC-id_87504646	455.589	XNRZDMOVEIAWIY-UHFFFAOYSA-N	00000010100000110110000000001010000000000000000000000000	31-01-139870
C=CC(=C)C(N1c2ccccc2/C(=C/c2ccc3-c2c(C)cc(cc3C)C)/C1=O)c1ccccc1	SCHEMBL3283715	455.589	XNRZDMOVEIAWIY-BRPDVVIDSA-N	00000010100000110110000000001010000000000000000000000000	31-01-139871
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1cc(ccc1)C)C(=O)OC	PC-id_19491130	455.59	UYXSXFIQZVOTQM-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-139872
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1ccc(cc1)C)C(=O)OC	PC-id_19492963	455.59	KJESRGYZFZCWPJ-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-139873
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1c(cccc1)C)C(=O)OC	PC-id_19498759	455.59	LAOLTWJEUMSDSH-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-139874
Cc1c(ccc(c1)c1nn(c(n1)CCC(C)C)CC(=O)N1CCc2c(CC1)sc(n2)C)F	SCHEMBL15024413,PC-id_89623166	455.591	JOHAPXZFRDRJDU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139875
CCCCCc1nc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(c(c1)C)F	SCHEMBL15024552,PC-id_89623280	455.591	UOHWGINZOCMVCL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139876
s1c2c(CCCCCC2)c(c1NC(=O)CCSC1NC(O)CC(=O)N1)C(=O)OCC	PC-id_74178629	455.591	MUTQEFNDLKCDOJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-139877
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccc(cc3)OC(C)C)CCn12	MCULE-8317405440,PC-id_45170034,EMOLS-id_20398350	455.593	DMMYELZQRBGWSE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139878
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccc(c(C)c3C)OC)CCn12	EMOLS-id_20396812,MCULE-2565108950,PC-id_45169676	455.593	PUHJAYRDRXDNHI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139879
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3c(C)cc(c(C)c3)OC)CCn12	EMOLS-id_20577635,MCULE-4706997386,PC-id_45211329	455.593	AGIOBJHKVWPFGI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139880
CC(C)Oc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1	CoCoCo_1129596,CoCoCo_1129597,ZINC22_257371866	455.593	DMMYELZQRBGWSE-REWPJTCUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139881
CC(C)Oc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1	CoCoCo_1129599,CoCoCo_1129598,ZINC22_11963498	455.593	DMMYELZQRBGWSE-OFNKIYASSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139882
CC(C)Oc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1	ZINC22_11963500,CoCoCo_1129595,CoCoCo_1129594	455.593	DMMYELZQRBGWSE-NFBKMPQASA-N	00000010100000110101000000000010000000000000000000000000	31-01-139883
CC(C)Oc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1	ZINC22_257371865,CoCoCo_1129593,CoCoCo_1129592	455.593	DMMYELZQRBGWSE-NZQKXSOJSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139884
COc1cc(C)c(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1C	CoCoCo_1384895,PC-id_26347390,CoCoCo_1384897,ZINC22_14992341	455.593	AGIOBJHKVWPFGI-AUSIDOKSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139885
COc1cc(C)c(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1C	CoCoCo_1384896,CoCoCo_1384894,ZINC22_257371960	455.593	AGIOBJHKVWPFGI-WMZHIEFXSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139886
COc1cc(C)c(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1C	CoCoCo_1384898,CoCoCo_1384900,ZINC22_257371959	455.593	AGIOBJHKVWPFGI-CVDCTZTESA-N	00000010100000110101000000000010000000000000000000000000	31-01-139887
COc1cc(C)c(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1C	CoCoCo_1384899,PC-id_26347387,CoCoCo_1384901,ZINC22_14992339	455.593	AGIOBJHKVWPFGI-XXBNENTESA-N	00000010100000110101000000000010000000000000000000000000	31-01-139888
COc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c(C)c1C	CoCoCo_1127555,ZINC22_257371868,CoCoCo_1127557	455.593	PUHJAYRDRXDNHI-NZQKXSOJSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139889
COc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c(C)c1C	CoCoCo_1127561,CoCoCo_1127559,ZINC22_257371869	455.593	PUHJAYRDRXDNHI-REWPJTCUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139890
COc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c(C)c1C	CoCoCo_1127562,ZINC22_23129140,PC-id_30852649,CoCoCo_1127560	455.593	PUHJAYRDRXDNHI-OFNKIYASSA-N	00000010100000110101000000000010000000000000000000000000	31-01-139891
COc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c(C)c1C	PC-id_30852650,CoCoCo_1127558,CoCoCo_1127556,ZINC22_23129141	455.593	PUHJAYRDRXDNHI-NFBKMPQASA-N	00000010100000110101000000000010000000000000000000000000	31-01-139892
COCc1ccc(C(=O)NCc2nnc3n2CCN(CCC2=C(C)CCCC2(C)C)CC3)o1	ChEMBL-DNDi_CHEMBL43645134,CoCoCo_1376761,EMOLS-id_20572349,MCULE-4389956547,PC-id_26344891,CoCoCo_1376762,ZINC22_14990181	455.593	ORHHYJYFOCBKIQ-UHFFFAOYSA-N	00000000101011000101000000000010000000000000000000000000	31-01-139893
s1c2CCCCCc2cc1C(=O)NNC(=O)Cc1nc(sc1)c1c(OCC)cccc1	PC-id_55494651	455.593	AWHYKNSEXAZPIZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139894
s1c2CCCCCc2c(c1NC(=O)c1ccc(S(=O)(=O)N(CC=C)CC=C)cc1)C#N	PC-id_24078517	455.593	HVDVWZBDLGARCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139895
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+](CC)CC(=O)Nc1ccc(OC)cc1)C#N	PC-id_51545257	455.593	DVBJWPQVAIEMOJ-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-139896
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc2CCCc2cc1C#N)C(=O)OC	PC-id_23833225	455.593	VPEFRGXGKSDMBQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-139897
CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccoc1C	PC-id_25719535,CoCoCo_4178515,ZINC22_13127302	455.596	QPWZTRHMYQXRPV-AWEZNQCLSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139898
CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccoc1C	PC-id_41214062,ZINC22_9789242,CoCoCo_4178514	455.596	QPWZTRHMYQXRPV-CQSZACIVSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139899
CS(=O)c1cccc(c1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCNCC1	PC-id_89125951	455.596	HOKYLGWZDHTTQR-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-139900
N#Cc1c(NC(=O)C(Sc2nnc(n2CC)c2ccoc2C)C)sc2c1CCCCC2	PC-id_16333390,MCULE-4637882375,EMOLS-id_11772389	455.596	QPWZTRHMYQXRPV-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139901
O=C(c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1cccc(c1)S(=O)C)N1CCNCC1	SCHEMBL13592028	455.596	HOKYLGWZDHTTQR-BGHJUUCHSA-N	00000000100010110111000000000010000000000000000000000000	31-01-139902
s1c2CCCCCc2cc1C(=O)NNC(=O)CCn1c(n[nH]c1=S)c1ccc(cc1)C	PC-id_24554099	455.596	KHETZGDBXBBCNU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139903
s1c2CCCCCc2cc1C(=O)NNC(=O)CCn1c(n[nH]c1=S)c1cc(ccc1)C	PC-id_24554100	455.596	SSVCQOUCRNIQMH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139904
s1c2CCCCCc2c(c1NC(=O)CN(CCC)Cc1oc(nn1)c1sccc1)C#N	PC-id_24428699	455.596	VUBUBTZAYYDFJQ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-139905
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC(C)C)c(nn1)c1occc1)C#N	PC-id_41127337	455.596	DFHVJUZPPHYQTO-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139906
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1c(occ1)C)C#N	PC-id_19726333	455.596	BHHKDNJLJKRICS-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139907
s1c2CCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(occ1)C)C#N	PC-id_19726463	455.596	YPQUKTFMAVKUSD-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139908
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2cc(ccc2)C)cn1)C(=O)OC	PC-id_20178433	455.596	ASOUVETVYQIGMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139909
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(cc2)C)cn1)C(=O)OC	PC-id_20178878	455.596	FOQTVNNSNFJSJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139910
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2c(cccc2)C)cn1)C(=O)OC	PC-id_20179241	455.596	GBGXIBYNPQOLKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139911
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(CSc2n(C)cnn2)cc1	PC-id_24486888	455.596	PDJSKRIYUMEIAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139912
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cn1c(n[nH]c1=S)c1cc(ccc1)C	PC-id_24553565	455.596	ONSONQNCVVIBHS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139913
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cn1c(n[nH]c1=S)c1ccc(cc1)C	PC-id_24553567	455.596	UDOSRVOEDVFHFD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-139914
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1occc1)C#N	PC-id_19724368	455.596	OLIFQEFQBVNBJI-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139915
s1c2CCCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1occc1)C#N	PC-id_19724483	455.596	TURZHOCFANJTHQ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139916
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)CC)C#N	PC-id_19726139	455.596	DTGGCSMMWBCSDP-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-139917
CCC1OC(=O)C(C)C(O)C(C)C(O)C(C)Cc2nc(CC(=O)C(C(C1C)O)C)sc2	SCHEMBL13295186,PC-id_20694021	455.608	HYBMOLPHUCMMQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-139918
c1(c2CCCCCc2sc1NC(=O)CN1CCC(CC1)C)C(=O)Nc1ccccc1OC	PC-id_3826169,EMOLS-id_2785872,CoCoCo_6724295,CoCoCo_6724294,TIMTEC578895,ZINC22_15946954,MCULE-2134699182	455.613	YRMFMCIHCKXYAK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-139919
COc1c(Br)cc(cc1Br)Cc1c(O)n(C)ccc2-c1nc(=NC)n2	SCHEMBL14019716	468.143	JMKGOBOYLKDUPQ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-143991
c1(c2CCCCCc2sc1NC(=O)CN1CCCCCC1)C(=O)Nc1ccccc1OC	EMOLS-id_2785878,MCULE-3988532974,PC-id_3254031,ZINC22_15946960,TIMTEC499835,CoCoCo_6724298	455.613	VHFFNGHTJXYXIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-139920
CCN(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCC(=O)CC1	SCHEMBL18556195	455.613	NJLMZJZXIFTMGG-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-139921
CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN(C)C)CCCCC3)/C(=O)N2	PC-id_10479175,SCHEMBL6692307	455.613	OIPSNVODYULEPA-PGMHBOJBSA-N	00000010100000100100000000001010000000000000000000000000	31-01-139922
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(c(ccc1)C)C)C(=O)OC	PC-id_22199341	455.613	JJIHLBVMOVOFMD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139923
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(N(CC1)c1ccc(cc1)C)C)C(=O)OC	PC-id_22199635	455.613	IBFRIUDUJAPKMU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139924
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(cccc1)C)C(=O)OCC	PC-id_22200653	455.613	RZHSMUAQRNOCDQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139925
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C)C(=O)OC	PC-id_22194941	455.613	NSSASRSEHQLSPZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139926
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1c(cccc1)C)C(=O)OC	PC-id_22195318	455.613	JVSRGLLLNYOIAH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139927
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)C(=O)OCC	PC-id_22198215	455.613	GNVHPRCTQYCQLD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139928
s1c2CCCCCCc2cc1C(=O)NCc1cc(NC(=O)CCN2CCOCC2)ccc1	PC-id_52701676	455.613	GSHBKBNPMTYSRU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139929
s1c2CCCCCCc2cc1C(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC	PC-id_51577052	455.613	DDGIFWOPVGDJHM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139930
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1ccc(N2CCN(CC2)CC)cc1	PC-id_16624407	455.613	LJVUQCHRIHYCTA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139931
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(cccc1)C)C(=O)OC	PC-id_22200612	455.613	RRHXSMZEQFXLDK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-139932
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)C(=O)OC	PC-id_22198185	455.613	FIUCZYKZGWWRQJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139933
S(=O)(=O)(c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCN(C)C)C(=O)Nc2cc1)CC	PC-id_85154269	455.613	OIPSNVODYULEPA-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-139934
Cc1cc(c(cc1)C)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c[nH]c2ccccc12	PC-id_137047319	455.614	SMFRJHCUQDAVMU-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-139935
Cc1cc(cc(c1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c[nH]c2ccccc12)C	PC-id_137047266	455.614	OQTSBACUYJAPBZ-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-139936
Cc1c(cc(cc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c[nH]c2ccccc12)C	PC-id_137047281	455.614	QCKOLXVBUWPFHF-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-139937
Cc1c(c(ccc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c[nH]c2ccccc12)C	PC-id_137047367	455.614	YBWQVUTWVJWMIS-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-139938
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3c[nH]c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409015327	455.614	OQTSBACUYJAPBZ-OCSSWDANSA-N	00000000100000110100000001100010000000000000000000000000	31-01-139939
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3c[nH]c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409017614	455.614	SMFRJHCUQDAVMU-OCSSWDANSA-N	00000000100000110100000001100010000000000000000000000000	31-01-139940
Cc1cccc(NC(=O)c2c(/N=C/c3c[nH]c4ccccc34)sc3c2CCCCCC3)c1C	ZINC22_409019919	455.614	YBWQVUTWVJWMIS-OCSSWDANSA-N	00000000100000110100000001100010000000000000000000000000	31-01-139941
Cc1ccc(NC(=O)c2c(/N=C/c3c[nH]c4ccccc34)sc3c2CCCCCC3)cc1C	ZINC22_409015994	455.614	QCKOLXVBUWPFHF-OCSSWDANSA-N	00000000100000110100000001100010000000000000000000000000	31-01-139942
Cc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c2ccccc2n1C	ZINC22_409019013	455.614	VFILTIIAKUZOEQ-RDRPBHBLSA-N	00000000100000110100000001100010000000000000000000000000	31-01-139943
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)c1sc(=O)[nH]c1C	PC-id_16615906	455.614	CMOODYXEFRPGSZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-139944
c1(NC(=O)CCC(=O)Nc2ccc(cc2)CN2CCN(CC2)C)sc2c(CCCCC2)n1	MCULE-7738598462,EMOLS-id_335115869	455.616	FDBPDSOFKDSUOW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-139945
CC(C[C@@H](c1nnc2n1CCN(CC2)C(=O)CCCc1ccccc1)NC(=O)C[NH+](C)C)C	GD-id_ZINC12097517,PC-id_42405581	455.616	MQDJHQFBPSEPIK-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139946
O=C(N1CCn2c(nnc2CC1)[C@H](NC(=O)C[NH+](C)C)CC(C)C)CCCc1ccccc1	PC-id_42405579	455.616	MQDJHQFBPSEPIK-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139947
O=C(N1CCn2c(nnc2CC1)C(NC(=O)C[NH+](C)C)CC(C)C)CCCc1ccccc1	PC-id_74800939	455.616	MQDJHQFBPSEPIK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-139948
O=C(NC(c1n2CCN(CCc2nn1)Cc1c(c(c(OC)cc1)C)C)C)C1CC[NH+](CC1)C	PC-id_75670156	455.616	BNFTXTVCPOLCLU-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-139949
O=C(NC(c1n2CCN(CCc2nn1)Cc1c(cc(OC)c(c1)C)C)C)C1CC[NH+](CC1)C	PC-id_75670560	455.616	UEDFLEAYCAMZHL-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-139950
O=C(N[C@@H](c1n2CCN(CCc2nn1)Cc1c(c(c(OC)cc1)C)C)C)C1CC[NH+](CC1)C	PC-id_51537639	455.616	BNFTXTVCPOLCLU-LJQANCHMSA-O	00000000100010110101000000000010000000000000000000000000	31-01-139951
O=C(N[C@H](c1n2CCN(CCc2nn1)Cc1c(c(c(OC)cc1)C)C)C)C1CC[NH+](CC1)C	PC-id_51537640	455.616	BNFTXTVCPOLCLU-IBGZPJMESA-O	00000000100010110101000000000010000000000000000000000000	31-01-139952
O=C(N[C@@H](c1n2CCN(CCc2nn1)Cc1c(cc(OC)c(c1)C)C)C)C1CC[NH+](CC1)C	PC-id_51539020	455.616	UEDFLEAYCAMZHL-LJQANCHMSA-O	00000000100010110101000000000010000000000000000000000000	31-01-139953
O=C(N[C@H](c1n2CCN(CCc2nn1)Cc1c(cc(OC)c(c1)C)C)C)C1CC[NH+](CC1)C	PC-id_51539021	455.616	UEDFLEAYCAMZHL-IBGZPJMESA-O	00000000100010110101000000000010000000000000000000000000	31-01-139954
Cc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)s2)c1	EMOLS-id_43758731,ZINC22_13148300,CoCoCo_3022475,PC-id_4387116,MCULE-7126862893	455.619	XXFRUFVFRMKTAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139955
N#Cc1c(NC(=O)CSc2nnc(NCc3ccccc3)s2)sc2c1CCCCC2	CoCoCo_3003707,PC-id_4038940,ZINC22_13141001,EMOLS-id_3449431,MCULE-3197111843	455.619	PZZCZCCCVYNCIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139956
s1c2CCCCCc2c(c1NC(=O)C(Sc1nc([nH]n1)/C=C/c1sccc1)C)C#N	PC-id_24608026	455.619	DOAQDRCZNKHMIK-MDZDMXLPSA-N	00000000100100000101000000000010000000000000000000000000	31-01-139957
s1c2CCCCCc2c(c1NC(=O)C(Sc1nc([nH]n1)C=Cc1sccc1)C)C#N	PC-id_74302657	455.619	DOAQDRCZNKHMIK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-139958
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1sccc1)CC=C)C#N	PC-id_19725559	455.619	DXFCRRSWWWSZTC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-139959
s1c2CCCCCc2c(c1NC(=O)CSc1sc(Nc2c(cccc2)C)nn1)C#N	PC-id_3948886	455.619	COTUOHLZVADSFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139960
s1c2CCCCCc2c(c1NC(=O)CSc1sc(Nc2ccc(cc2)C)nn1)C#N	PC-id_4597026	455.619	HGAAWFNZTOEZBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139961
s1c(NC(=O)C[NH+]2CCC(CC2)Cc2ccccc2)c(c2CCCCCc12)C(=O)OCC	PC-id_28698240	455.633	LOZUMLCWROBJKF-UHFFFAOYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-139962
CCCC1CCCCCCc2cc1c([nH]2)C=C1NC=CC1(OCc1ccccc1)c1ccc[nH]1	PC-id_69830106,SCHEMBL6581775	455.634	WRFZCJYOPWGWGX-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-139963
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCCc2c1)CCCC	PC-id_52640614	455.634	MMHIYJGODODPKB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-139964
CCC(CCC1=C(C)CCc2n(C(=NCc3ccc(cc3)c3cccnc3)N1)ncc2CC)C	PC-id_144051706	455.638	TYYSBNJQTDZGLH-UHFFFAOYSA-N	00000000100000111111100000000010000000000000000000000000	31-01-139965
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1C1CCCCC1	CoCoCo_2824913,EMOLS-id_5062245,PC-id_16281844,MCULE-3038014956,ZINC22_9456897	455.639	BYLUWMYFTBZFDF-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-139966
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC=C)C#N	PC-id_17268439	455.639	WCQAVZCMGRAODE-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-139967
s1c2CCC(C(C)(C)C)Cc2cc1C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1	PC-id_46449502	455.659	ALWDHJQCBYJTEK-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-139968
Clc1cc([N+](=O)[O-])c(Oc2ccc(C(=O)NCCc3n4CCCCCc4nn3)cc2)cc1	PC-id_55500924	455.894	SEFYIFSSXPWGOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139969
Fc1cccc(c1)C(=O)NCc1nnc2CCN(CCn12)C(=O)CCc1ccccc1Cl	ZINC22_14968352,PC-id_26326991,EMOLS-id_20627619,MCULE-2407108373,CoCoCo_1459645	455.912	VWKBKUHTNQKLII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139970
C[C@H](c1nnc2n1CC[N@H+](CC2)Cc1cc2OCOc2cc1Cl)NC(=O)c1cccnc1	PC-id_42340578,GD-id_ZINC11995771	455.917	RZEHDHNHFGJILG-CQSZACIVSA-O	00000010100000101101000000001010000000000000000000000000	31-01-139971
C[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1cc2OCOc2cc1Cl)NC(=O)c1cccnc1	PC-id_42340579,GD-id_ZINC11995772	455.917	RZEHDHNHFGJILG-AWEZNQCLSA-O	00000010100000101101000000001010000000000000000000000000	31-01-139972
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)cc2OCOc2c1	PC-id_74844183	455.917	RZEHDHNHFGJILG-UHFFFAOYSA-O	00000010100000101101000000001010000000000000000000000000	31-01-139973
c1(CN(c2ccc(cc2OC)OC)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	CoCoCo_2580190,MCULE-2489273464,ZINC22_16944610,EMOLS-id_10085814,PC-id_27441116	455.937	HWPIUSDHOCYKKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139974
FC(c1cc2-c(cc(c1)C(F)(F)F)c(c(c2C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F	PC-id_102525844	468.16	YIGCVVMJSPGOJF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-143992
c1(CN(c2ccc(cc2OC)OC)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	MCULE-5612984300,CoCoCo_2580189,EMOLS-id_10085800,ZINC22_16944616,PC-id_27441118	455.937	WYXFOKFSHNJZRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139975
c1(CN(c2ccc(c(Cl)c2)OC)C(=O)Nc2ccc(cc2)OC)nnc2CCCCCn12	PC-id_16030701,ChEMBL-DNDi_CHEMBLF2559-0404,CoCoCo_2580288,MCULE-8064572828,ZINC22_8598680,EMOLS-id_10095909,CHEMBL1516071	455.937	KLGTZTWOMCPJEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139976
c1(CN(c2ccc(c(Cl)c2)OC)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	MCULE-3124549339,ZINC22_27546231,CoCoCo_6294016,PC-id_34908920,EMOLS-id_10095937	455.937	GZFYDVQHPYEOPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139977
c1(CN(c2ccc(c(OC)c2)OC)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	ChEMBL-DNDi_CHEMBLF2559-0426,ZINC22_16959924,PC-id_27444655,EMOLS-id_10086808,CoCoCo_2580301,MCULE-2279998553	455.937	DWNZWSRHNDKCHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139978
c1(CN(c2ccc(c(OC)c2)OC)C(=O)Nc2ccccc2Cl)nnc2CCCCCn12	CoCoCo_2580299,PC-id_27444658,ZINC22_16959928,MCULE-3389918753,EMOLS-id_10086804	455.937	YDIDOUONXFPQHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139979
c1(CN(c2ccc(c(OC)c2)OC)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	ChEMBL-DNDi_CHEMBLF2559-0425,MCULE-6105940358,PC-id_27444657,CoCoCo_2580300,EMOLS-id_10086806,ZINC22_16959926	455.937	QDKVUEKJZUCGFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139980
c1(CN(c2c(OC)ccc(Cl)c2)C(=O)Nc2cccc(OC)c2)nnc2CCCCCn12	EMOLS-id_10086934,ChEMBL-DNDi_CHEMBLF2559-0313,PC-id_27444936,CoCoCo_2580271,MCULE-7512484964,ZINC22_16960468	455.937	BMNSMQIDPWVKFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139981
c1(CN(c2c(OC)ccc(OC)c2)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	PC-id_27441004,EMOLS-id_10085790,CoCoCo_2580266,MCULE-8453958272,ZINC22_16944257	455.937	XKZSIZTUWUSZIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139982
c1(CN(c2c(OC)ccc(OC)c2)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	ZINC22_16944262,MCULE-1217764150,CoCoCo_2580265,ChEMBL-DNDi_CHEMBLF2559-0296,EMOLS-id_10085812,PC-id_27441006	455.937	VQXKTMVFFKSYKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139983
c1(nnc2CCCCCn12)N(Cc1ccc(cc1OC)OC)C(=O)Nc1ccc(cc1)Cl	PC-id_4753046,MCULE-9129468599,ZINC22_16769825	455.937	FZUQMYJXBFFCND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139984
c1(nnc2CCCCCn12)N(Cc1ccc(cc1OC)OC)C(=O)Nc1cccc(Cl)c1	MCULE-3765271508,ZINC22_16769815,PC-id_4753045	455.937	LOSWYYCTQWAEPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139985
c1(nnc2CCCCCn12)N(Cc1ccc(c(OC)c1)OC)C(=O)Nc1ccccc1Cl	ZINC22_16769876,MCULE-6938780263,PC-id_4752754	455.937	USPVYLSYKIUDMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139986
c1(nnc2CCCCCn12)N(Cc1ccc(c(OC)c1)OC)C(=O)Nc1ccc(cc1)Cl	ZINC22_16769880,MCULE-4177696620,PC-id_4752779	455.937	ICRXOVKUAQTZEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139987
c1(nnc2CCCCCn12)N(Cc1ccc(c(OC)c1)OC)C(=O)Nc1cccc(Cl)c1	ZINC22_16769878,MCULE-9948168690,PC-id_4752755	455.937	DDTWPMVUEAFGOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139988
c1(nnc2CCCCCn12)N(Cc1cc(OC)ccc1OC)C(=O)Nc1ccc(cc1)Cl	ZINC22_16769811,PC-id_4752653,MCULE-4042490023	455.937	LNAKSSZRXZFOEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139989
c1(nnc2CCCCCn12)N(Cc1cc(OC)ccc1OC)C(=O)Nc1cccc(Cl)c1	MCULE-8495745277,PC-id_4752664,ZINC22_16769823	455.937	OFKDQGQLHFAORL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139990
Clc1ccc(cc1)c1ccc(CN2CCc3nnc(CNC(=O)C4CCOC4)n3CC2)o1	ChEMBL-DNDi_CHEMBL89284902,EMOLS-id_20722837,MCULE-2422319261,PC-id_45246152	455.937	SSBJWDXIGAUSNT-UHFFFAOYSA-N	00000010101000110101100000000010000000000000000000000000	31-01-139991
COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c(Cl)c1OC	CoCoCo_1275305,ZINC22_20601199,CoCoCo_1275306,MCULE-6004461711,EMOLS-id_20502643,PC-id_29088459	455.937	DLLZZVLNAJHGLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139992
COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cc(Cl)ccc2OC)c1	CoCoCo_6602638,ZINC22_28534865,MCULE-9802004177,PC-id_16458986	455.937	FZTATQZPGWSXNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139993
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2Cl)cc1OC	MCULE-1602247020,PC-id_16458911,ZINC22_28534702,CoCoCo_6602515	455.937	NEJULWCWFMSOCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139994
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1OC	MCULE-8651917518,CoCoCo_6602516,ZINC22_28534703,PC-id_16458912	455.937	CJXMIQNRKUTJTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139995
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)c(OC)c1	ZINC22_28527856,MCULE-1642857807,CoCoCo_6602050,PC-id_16458788	455.937	QQNMWUUMZRMXSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139996
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)cc2)cc1OC	ZINC22_28534705,PC-id_16458913,MCULE-1488889321,CoCoCo_6602517	455.937	NUKRVYODIGEHSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139997
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)cc2)c(OC)c1	MCULE-2495747712,PC-id_16458794,ZINC22_28527868,CoCoCo_6602056	455.937	KOBKAGWTIBFNAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139998
COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(OC)c(Cl)c2)cc1	CoCoCo_6602946,PC-id_16459192,ZINC22_28535276,MCULE-1133849969	455.937	IQYKIWLQVMYYIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-139999
COc1ccc(OC)c(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)c1	CoCoCo_6602055,ZINC22_28527866,PC-id_16458793,MCULE-4555129755	455.937	ODCOLXQLXULCAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140000
COCc1ccc(C(=O)NCc2nnc3n2CCN(C/C(=C/c2ccccc2)/Cl)CC3)o1	ChEMBL-DNDi_CHEMBL21669728,EMOLS-id_25995335,ZINC22_20212368,CoCoCo_1223092,CoCoCo_1223090	455.937	UWDUGNWOUOBWEW-AQTBWJFISA-N	00000000101000110101000000000010000000000000000000000000	31-01-140001
COCc1ccc(o1)C(=O)NCc1nnc2n1CCN(CC2)C/C(=Cc1ccccc1)/Cl	CoCoCo_1223091,CoCoCo_1223089	455.937	UWDUGNWOUOBWEW-QGOAFFKASA-N	00000000101000110101000000000010000000000000000000000000	31-01-140002
n12CCN(CCc1nnc2CNC(=O)c1ccc(COC)o1)CC(=Cc1ccccc1)Cl	PC-id_28740032,MCULE-1924706650	455.937	UWDUGNWOUOBWEW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-140003
O=C(NCc1nnc2n1CCN(Cc1ccc(c3ccc(Cl)cc3)o1)CC2)[C@H]1CCOC1	CoCoCo_1605485,ZINC22_14998095,PC-id_26353893,CoCoCo_1605483	455.937	SSBJWDXIGAUSNT-KRWDZBQOSA-N	00000010101000110101100000000010000000000000000000000000	31-01-140004
O=C(NCc1nnc2n1CCN(Cc1ccc(c3ccc(Cl)cc3)o1)CC2)[C@@H]1CCOC1	ZINC22_14998091,CoCoCo_1605486,CoCoCo_1605484,PC-id_26353889	455.937	SSBJWDXIGAUSNT-QGZVFWFLSA-N	00000010101000110101100000000010000000000000000000000000	31-01-140005
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)c2cccc(Cl)c2)c1	EMOLS-id_313793591,ZINC22_2055793283	455.957	KSIYSYMEMZCUOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140006
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)C(=O)c2cccc(Cl)c2)cc1	ZINC22_2055793381,EMOLS-id_313793334	455.957	VSDGEOWMHCRINB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140007
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	ChEMBL-DNDi_CHEMBL69948790,EMOLS-id_20666359,PC-id_45232373,MCULE-8410781879	455.959	WEVWBJMZRGGKEH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-140008
CCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1ccc(cc2)C(C)C	CHEMBL352466,PC-id_10389951	469.593	BBSNOGQRNQKZRL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144464
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	CoCoCo_1518756,ZINC22_20110130,CoCoCo_1518757	455.959	WEVWBJMZRGGKEH-GOSISDBHSA-N	00000010100000100101000000001010000000000000000000000000	31-01-140009
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	CoCoCo_1518759,ZINC22_20110131,CoCoCo_1518758	455.959	WEVWBJMZRGGKEH-SFHVURJKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-140010
Clc1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc(S(=O)(=O)N(CC)CC)cc1	PC-id_55477650	455.959	RBCWYHIHYBPNIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140011
Clc1ccc(S(=O)(=O)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_41151457	455.975	XBDYQMFKTFVRHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140012
Clc1ccc(cc1)C(=O)C1CCN(CC1)CCCCn1ccc2c1C(=O)CCN(C2=O)C	SCHEMBL6995885,PC-id_21258047	455.977	PNQJUXSPSKMYKO-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140013
Clc1ccc(cc1C(=O)Nc1nc2CCCCCc2s1)S(=O)(=O)N1CCOCC1	EMOLS-id_334603642,PC-id_55507972,MCULE-6818590521	455.979	KDZPZNNDRLYEJS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140014
Clc1c(cc(S(=O)(=O)NC)cc1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_35431413	455.979	SBKQKOMUKNXTAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140015
Clc1c(cc(S(=O)(=O)N(C)C)cc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	MCULE-5822958448,PC-id_31845101,EMOLS-id_43872957	455.979	IFRQZPGCJPWFKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140016
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(c4ccc(cc4)Cl)o3)CCn12	EMOLS-id_20413140,ChEMBL-DNDi_CHEMBL13411360,PC-id_45173479,MCULE-4609848620	455.98	IGBTXUOQRFSGSN-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-140017
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(c3ccc(Cl)cc3)o1)CC2	CoCoCo_1149296,CoCoCo_1149295,PC-id_28310326,ZINC22_19741277	455.98	IGBTXUOQRFSGSN-OAQYLSRUSA-N	00000000101000110101100000000010000000000000000000000000	31-01-140018
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(c3ccc(Cl)cc3)o1)CC2	CoCoCo_1149297,CoCoCo_1149298,ZINC22_19741279,PC-id_28310327	455.98	IGBTXUOQRFSGSN-NRFANRHFSA-N	00000000101000110101100000000010000000000000000000000000	31-01-140019
C1CN(CCN1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)NCCc1cc(ccc1)Cl	PC-id_89125812	456.003	UMULVTBBZMJMPH-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-140020
C1CN(CCN1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)NCCc1ccccc1Cl	PC-id_89125904	456.003	PTROWKHUZGZRIW-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-140021
Clc1cccc(c1)CCN/C/1=N/Cc2cc(sc2/C=CC/C=N1)C(=O)N1CCNCC1	SCHEMBL13591720	456.003	UMULVTBBZMJMPH-ZRUFSFLDSA-N	00000000100010110111000000000010000000000000000000000000	31-01-140022
O=C(c1sc2c(c1)C/N=C(/NCCc1ccccc1Cl)N=C/C/C=C)N1CCNCC1	SCHEMBL13591937	456.003	PTROWKHUZGZRIW-IWHMGWNYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-140023
Clc1c(cc(S(=O)(=O)N(C(C)C)C)cc1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56021471	456.022	HXAPERJMLZRNES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140024
Clc1c(cc(S(=O)(=O)N(CC)CC)cc1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56021722	456.022	HFWJIGKHFJGHEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140025
c1(c2CCCCCc2sc1NC(=S)Nc1ccccc1)C(=O)Nc1ccccc1Cl	EMOLS-id_2765885,ZINC22_4064892,MCULE-4744850747,PC-id_3373479,CoCoCo_1731313,TIMTEC371358	456.023	PAAHTVBXNMJWEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140026
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)C(C=C(F)F)O	PC-id_155062048	456.072	LZPFBKBMKQXFAR-PZORYLMUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140027
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)C(C=C(F)F)O	PC-id_155062049	456.072	LZPFBKBMKQXFAR-UEWDXFNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140028
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)[C@@H](C=C(F)F)O	PC-id_154682086	456.072	LZPFBKBMKQXFAR-QWHCGFSZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140029
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@@H](C=C(F)F)O	PC-id_154682191	456.072	LZPFBKBMKQXFAR-CHWSQXEVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140030
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@H](C=C(F)F)O	PC-id_155061951	456.072	LZPFBKBMKQXFAR-OLZOCXBDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140031
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)[C@H](C=C(F)F)O	PC-id_155258004	456.072	LZPFBKBMKQXFAR-STQMWFEESA-N	00000000100000110101000000000010000000000000000000000000	31-01-140032
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)C(C=C(F)F)O	PC-id_155062051	456.072	LZPFBKBMKQXFAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140033
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)[C@@H](C=C(F)F)O	PC-id_155258018	456.072	LZPFBKBMKQXFAR-ZGTCLIOFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140034
C1C=C(c2c(C(=O)N1)[nH]c(c2Br)Br)NNc1ccc(cc1)C(=O)O	PC-id_90928699	456.089	FAPYUDPDWSAYLE-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-140035
C1C=C(c2c(C(=O)N1)[nH]c(c2Br)Br)NNc1ccccc1C(=O)O	PC-id_91577750	456.089	CAHUASPEKIVUOI-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-140036
C1CNC(=O)c2c(/C/1=NNc1ccc(cc1)C(=O)O)c(c([nH]2)Br)Br	PC-id_136383964,SCHEMBL3424541	456.089	VJAUXZXNWNTCFX-NKVSQWTQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140037
C1CNC(=O)c2c(/C/1=N/Nc1ccccc1C(=O)O)c(c([nH]2)Br)Br	SCHEMBL13341091,PC-id_135496243	456.089	LYCNBSPDUZGDON-ZVBGSRNCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140038
C1CNC(=O)c2c(/C/1=N/Nc1ccc(cc1)C(=O)O)c(c([nH]2)Br)Br	SCHEMBL13341106,PC-id_135514463	456.089	VJAUXZXNWNTCFX-ZVBGSRNCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140039
C1CNC(=O)c2c(/C/1=NNc1ccccc1C(=O)O)c(c([nH]2)Br)Br	SCHEMBL3426700,PC-id_136384013	456.089	LYCNBSPDUZGDON-NKVSQWTQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140040
OC(=O)c1ccccc1NN=C1CCNC(=O)c2[nH]c(Br)c(Br)c12	PC-id_136342110,BindingDB-id_111103	456.089	LYCNBSPDUZGDON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140041
OC(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c(Br)c(Br)c23)cc1	BindingDB-id_111105,PC-id_136634915	456.089	VJAUXZXNWNTCFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140042
C1CCC2=C(CC1)SC(=C2C(NC3=CC(CCC3)C(F)(F)F)O)NC(=O)C(F)(F)F	PC-id_149312296	456.131	XYVPKQDJFOIPQL-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-140043
Cc1c(cc(cc1)NC(=O)c1c2CC[C@H](NS(=N)(=O)c2cn1C)Cc1ccccc1)Cl	PC-id_163768844	456.139	MERWFWGLTVNCAH-AHWGAIPKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140044
CC(C)C(C(=O)CC1CC2=C(CCCNC(=O)C1=O)N=NO2)NC(=O)OCC3=CC=CC=C3	PC-id_149185101	456.201	XBSISKUIDDPHGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140045
CC(C)C(C(=O)CC1CC2=C(CCCNC(=O)C1=O)ON=N2)NC(=O)OCC3=CC=CC=C3	PC-id_148809060	456.201	OPNUKWUJTLULHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140046
CC(C)C(C(=O)CC1CCC2=C(CCNC(=O)C1=O)N=NO2)NC(=O)OCC3=CC=CC=C3	PC-id_147008574	456.201	ATLDNETZZHHAOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140047
CC(C)C(C(=O)CC1CCC2=C(CCNC(=O)C1=O)ON=N2)NC(=O)OCC3=CC=CC=C3	PC-id_160352287	456.201	PZIPPWFTRYYOIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140048
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCCOC(=O)C3=CC=C(C=C3)C(=O)N	PC-id_155171400	456.237	CNAPHDCKRCOIRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140049
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3=CC=CC(=C3)C(=O)NC	PC-id_155171360	456.237	MOJOXIMNWFIZGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140050
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3=CC=C(C=C3)C(=O)NC	PC-id_155171379	456.237	WVVLEGVPRGUEPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140051
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)C(=O)N	PC-id_155171326	456.237	SYLTWRBDMWEJEY-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140052
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=CC(=C3)C(=O)N	PC-id_155171404	456.237	POWZKWJDQYHAFL-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140053
CCCC1=NC2=C(N1CC3(C=CC=CC3CCC(F)(F)F)C4=CC=CC=C4)C(=O)CCCC2	PC-id_150230676	456.239	FVKIUSWRKGMPTI-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-140054
Ic1c(C(=O)NCc2n3CCCCCc3nn2)cc(OC)c(OC)c1	PC-id_56332060	456.278	RTSMNOKTNZWEMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140055
CCCS(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1C=CC(C=N2)Br)F	PC-id_143384176	456.304	XGNMOMQGCPKXMJ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-140056
Brc1oc(C(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_3637725	456.308	HSZXOUWQHJQBCT-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-140057
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N	PC-id_3668157	456.327	MOWBVFGUIQUBPC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-140058
Brc1ccc(N(C(=O)Cn2nc3n(CCCCC3)c2=O)Cc2ncccc2)cc1	PC-id_55886999	456.336	RJHCWQBMDXBGBM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140059
Brc1ccc(Oc2ncccc2C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_52588094	456.336	JBGGYMWXFZELLV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140060
Brc1cc(Oc2ncccc2C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_52612895	456.336	FCBRBXMIBFHVIZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140061
Brc1ccc(S(=O)(=O)N(CC(=O)NCc2n3CCCCCc3nn2)C)cc1	PC-id_55686650	456.357	VWSSOGAIEORHON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140062
O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1nnc2n1CCCCC2	CoCoCo_4336657,ZINC22_32841621,EMOLS-id_24024679,PC-id_40075479,MCULE-6777250878	456.357	MPBSEPZJMUOOPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140063
O=C(c1n(C)cc2c1CCC(NS2(=O)=O)C(F)(F)F)Nc1ccnc(c1)C(F)(F)F	SCHEMBL18353362	456.363	VHYPGIOLEGICPM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-140064
Brc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCC(=O)N(C)C)/C(=O)Nc2cc1	PC-id_60113705,SCHEMBL6698545	456.375	IDQDRBMBFLCICO-AQTBWJFISA-N	00000010100000100100000000001010000000000000000000000000	31-01-140065
Brc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)N(C)C)C(=O)Nc2cc1	PC-id_72651799	456.375	IDQDRBMBFLCICO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-140066
Brc1sc(C(=O)NCC(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_52670567	456.377	AZSKHEJJOBRHGH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-140067
Brc1cc(n2c(c(C(=O)NCCc3n4CCCCCc4nn3)cc2C)C)ccc1	PC-id_52709935	456.379	JFIYJQBLJBMCOP-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-140068
c1(c2CCCCCc2sc1NC(=O)COc1ccc(c(Cl)c1)Cl)C(=O)OC(C)C	TIMTEC340321,CoCoCo_5828361,EMOLS-id_4141834,MCULE-7546804952,PC-id_1748242,ZINC22_2091216,SPECS-id_AK-968/15608919	456.383	NRIUZFWBUZAQDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140069
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_4141836,TIMTEC463088,CoCoCo_1740091,ZINC22_2742717,MCULE-3646393671,PC-id_4104572	456.383	SYIQGKLAEFBLGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140070
Clc1c(OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)ccc(Cl)c1	PC-id_4058443	456.383	CVUHQVFVPGWBCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140071
Clc1c(OC(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)C)ccc(Cl)c1	PC-id_4556821	456.383	UYMRTYOOMWNHGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140072
Clc1c(OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc(Cl)c1	PC-id_4644114	456.383	RWDJMCPHBBVZSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140073
Clc1c(OC(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)C)ccc(Cl)c1	PC-id_3630610	456.383	JEGRWFBTCIDDLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140074
Clc1c(OCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_4140161	456.383	APSKYDYUSAGOEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140075
CC1CC(=CC(=O)OC(Cc2nc(cs2)CCCCC(=O)O1)C=C(C)Br)C	PC-id_89353041	456.394	WYQAWARUNKSKQU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-140076
C[C@@H]1OC(=O)CCCCc2csc(C[C@H](OC(=O)/C=C(/C1)C)/C=C(/Br)C)n2	SCHEMBL14499137	456.394	WYQAWARUNKSKQU-SKVLCTOUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-140077
[O-][N+](=O)c1nc2n(c1)CCN(CCO2)Cc1nnc(s1)c1ccc(cc1)OC(F)(F)F	PC-id_71570592,SCHEMBL14965483	456.399	VFMVJAZOABEUGF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140078
S1/C(=C(/c2n3c(nn2)CCCCC3)C#N)/N(C(=C1)c1ccccc1)CC=C.Br	CHEMBL1365843	456.402	IQFUKVMIBFGAKM-DIRYEVLESA-N	00000011100000110101100000000010000000000000000000000000	31-01-140079
c1(NC(=S)NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)N	ZINC22_2316406,TIMTEC149826,MCULE-2578612087,EMOLS-id_4457083,PC-id_1933003,CoCoCo_1740203,STOCK2S-75341	456.409	FMVDJKMVUOXIEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140080
CC(C)NC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)c(F)c1	SCHEMBL17777921,PC-id_121358852,BindingDB-id_731695	456.409	DIKVGBMQYOULPY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140081
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(C(O)c1ccc([N+](=O)[O-])cc1)CO	PC-id_19523796	456.416	WDBBMAZJSSOMAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140082
O=C(c1nc(c2-c1ccccc2)C(=O)N1C[C@@H]2C[C@H]1CO2)NC(C(F)(F)F)c1ccccn1	PC-id_143722109	456.417	FPWIDRHVKKBKGY-JWDIZXQDSA-N	00000010100000101110000000000110000000000000000000000000	31-01-140083
C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	PC-id_41001001,CoCoCo_2861396,ZINC22_9284138	456.435	ZCGPYALUKSIHQS-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140084
C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC22_9284137,CoCoCo_2861395,PC-id_41001000	456.435	ZCGPYALUKSIHQS-NSHDSACASA-N	00000000100000110100000000000010000000000000000000000000	31-01-140085
O=C(C(OC(=O)c1cc2c(s1)CCCCC2)C)Nc1ccc(cc1C(F)(F)F)[N+](=O)[O-]	EMOLS-id_15246775,MCULE-6650157113,PC-id_4856553	456.435	ZCGPYALUKSIHQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140086
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)COc2cc(F)ccc2F)CCC3)cc1	EMOLS-id_313763784,ZINC22_1565556711	456.442	SBXQZSNMIODGFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140087
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N1CCN(CC1)Cc1c(F)c(F)ccc1	PC-id_19527736	456.452	QEJBZFXSURLMML-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140088
Fc1c(C2OC(C(O)C(O)C2O)CO)cccc1Cc1c(c2-c(c1)ccccc2)C(=O)OC	PC-id_72423611	456.46	OIPKHZHPJMWKKS-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-140089
Fc1c(C2OC(C(O)C(O)C2O)CO)cc(Cc2c(c3-c(c2)ccccc3)C(=O)OC)cc1	PC-id_72423684	456.46	OVDRNMHSGTYSHE-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-140090
Fc1c([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cccc1Cc1c(c2-c(c1)ccccc2)C(=O)OC	PC-id_58786118,SCHEMBL5270739	456.46	OIPKHZHPJMWKKS-MWFZDGHISA-N	00000010100010110110100000000010000000000000000000000000	31-01-140091
Fc1c([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO)cccc1Cc1c(c2-c(c1)ccccc2)C(=O)OC	SCHEMBL5270745,PC-id_69380523	456.46	OIPKHZHPJMWKKS-HOTKZRPMSA-N	00000010100010110110100000000010000000000000000000000000	31-01-140092
Fc1c([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc(Cc2c(c3-c(c2)ccccc3)C(=O)OC)cc1	PC-id_58786199,SCHEMBL14590117	456.46	OVDRNMHSGTYSHE-ZXGKGEBGSA-N	00000010100010110110100000000010000000000000000000000000	31-01-140093
Fc1ccc(c(c1)C(=O)N[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc2c(c1)OCO2)C)F	GD-id_ZINC11973923,PC-id_42324979	456.465	SKSFETBFEHHLPF-CQSZACIVSA-O	00000010100000110101000000001010000000000000000000000000	31-01-140094
Fc1ccc(c(c1)C(=O)N[C@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc2c(c1)OCO2)C)F	PC-id_42324985,GD-id_ZINC11973930	456.465	SKSFETBFEHHLPF-AWEZNQCLSA-O	00000010100000110101000000001010000000000000000000000000	31-01-140095
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2cc3OCOc3cc2)C)cc(F)cc1	PC-id_74792245	456.465	SKSFETBFEHHLPF-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-140096
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])C)C(=O)N	PC-id_55944242	456.472	VPUBSHJVQXFAGD-JTQLQIEISA-N	00000010100000100100000000001010000000000000000000000000	31-01-140097
s1c2c(CCCCC2)c(c1NC(=O)C(N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])C)C(=O)N	PC-id_55334253	456.472	VPUBSHJVQXFAGD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-140098
S=c1n2c(nn1CN1CCN(CC1)c1c([N+](=O)[O-])cc(cc1)C(F)(F)F)CCCCC2	PC-id_31582972	456.485	CKKUNCILTMFDJP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140099
O(C(=O)c1c2-c(cc1NC(=O)Nc1c(c3-c(c1)ccccc3)C(=O)OCC)ccccc2)CC	PC-id_15311177	456.49	AQKXTQUKICKPSU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-140100
CC(CC(C(=O)NC1Cc2coc(n2)CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730681,SCHEMBL21109838	456.492	DERRREFEQBFLJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140101
O=C1NCCCc2oc(C(=O)N3CC[C@@H]([C@H]4CCCN4C(=O)CN4C(=O)CCC4=O)C3)cc12	ZINC22_1875361585	456.492	WDAPPVPCQFHSPM-GDBMZVCRSA-N	00000010100000000100100000000010000000000000000000000000	31-01-140102
O=C1NCCCc2oc(C(=O)N3CC[C@H]([C@H]4CCCN4C(=O)CN4C(=O)CCC4=O)C3)cc12	ZINC22_1875361586	456.492	WDAPPVPCQFHSPM-GOEBONIOSA-N	00000010100000000100100000000010000000000000000000000000	31-01-140103
O=C1NCCCc2oc(C(=O)N3CC[C@H]([C@@H]4CCCN4C(=O)CN4C(=O)CCC4=O)C3)cc12	ZINC22_1875361587	456.492	WDAPPVPCQFHSPM-HOCLYGCPSA-N	00000010100000000100100000000010000000000000000000000000	31-01-140104
O=C1NCCCc2oc(C(=O)N3CC[C@@H]([C@@H]4CCCN4C(=O)CN4C(=O)CCC4=O)C3)cc12	ZINC22_1875361588	456.492	WDAPPVPCQFHSPM-ZBFHGGJFSA-N	00000010100000000100100000000010000000000000000000000000	31-01-140105
O=C(NC(C(=O)NC1Cc2cnoc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731028,SCHEMBL21110186	456.492	AIMMANWLMUMGQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140106
O=C(NC(C(=O)NC1Cc2ncc(o2)CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730364,SCHEMBL21109518	456.492	SQYRRFLITBHQCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140107
O=C(NC(C(=O)NC1Cc2ncoc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730703,SCHEMBL21109860	456.492	XFVSRBAJIADSLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140108
O=C(NC(C(=O)NC1Cc2ocnc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731014,SCHEMBL21110172	456.492	GOAKSRBGKWKQHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140109
O=C(NC(C(=O)NC1Cc2oncc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109547,PC-id_138730393	456.492	WHIQLKOYWQLWDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140110
O=C(NC(C(=O)NC1CCc2cnoc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110700,PC-id_138731498	456.492	XULMRMYNDLPCRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140111
O=C(NC(C(=O)NC1CCc2coc(n2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109659,PC-id_138730504	456.492	PWJOQPASPWIBPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140112
O=C(NC(C(=O)NC1CCc2ncoc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731057,SCHEMBL21110215	456.492	RELZSIGLHBBQER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140113
O=C(NC(C(=O)NC1CCc2ocnc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730371,SCHEMBL21109525	456.492	LBFURAQJDHJASG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140114
O=C(NC(C(=O)NC1CCc2oncc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731047,SCHEMBL21110205	456.492	PLEZOKDLUBBSAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140115
O=C(NC(C(=O)NC1CCCc2cnoc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731540,SCHEMBL21110745	456.492	OTPTVFFUZUJNQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140116
O=C(NC(C(=O)NC1CCCc2ncoc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730067,SCHEMBL21109218	456.492	AEEKKDBIWWJQSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140117
O=C(NC(C(=O)NC1CCCc2ocnc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109796,PC-id_138730641	456.492	JSBHPNIGCFSULJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140118
O=C(NC(C(=O)NC1CCCc2oncc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731054,SCHEMBL21110212	456.492	VKQQTXFPWWKSMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140119
N#CC(=C(c1cc(c2-c1cccc(c2)C(C)C)C(=O)OC)C(=C(C#N)C#N)c1ccccc1)C#N	PC-id_102391033	456.495	VGIVXFJFXBVVKX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-140120
O=C(NC(C(=O)NC1Cc2cnnn2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109274,PC-id_138730123	456.495	VRJLCFRQVWWRMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140121
O=C(NC(C(=O)NC1Cc2ncnn2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110160,PC-id_138731002	456.495	DYSHLRCRGAXTRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140122
O=C(NC(C(=O)NC1CCc2cnnn2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730376,SCHEMBL21109530	456.495	GFGPOBFRLHKZNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140123
O=C(NC(C(=O)NC1CCc2ncnn2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110725,PC-id_138731523	456.495	NAXNTIVUYQUNDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140124
O=C(NC(C(=O)NC1CCn2ncnc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109533,PC-id_138730379	456.495	MLEUIBDZLFGUPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140125
O=C(NC(C(=O)NC1CCn2nncc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730394,SCHEMBL21109548	456.495	SYNBMBKPERAFRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140126
O=C(NC(C(=O)NC1Cn2ncnc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730618,SCHEMBL21109773	456.495	CUCZIYMEBBUICS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140127
O=C(NC(C(=O)NC1Cn2nncc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109228,PC-id_138730077	456.495	WSBNWCTZBHJEHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140128
O(C(=O)c1c2-c(c(c1)C(=c1ccc(=C(C#N)C#N)cc1)C=C(C#N)C#N)cccc(C(C)C)c2)C	PC-id_73291935	456.495	KCZWPDYXRBUJAP-UHFFFAOYSA-N	00000010100000100110000000000010000000000000000000000000	31-01-140129
CN1NC(C)(C)CNc2c(C1=O)c(Cc1ccccc1)n(c2)Cc1ccc(cc1)C(F)(F)F	PC-id_144007100	456.503	YERQXOAOJIEIJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140130
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2c(OCC)cccc2)C)cc(F)cc1	PC-id_74805881	456.508	YBDBVLNCOGLQCW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140131
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2c(OCC)cccc2)C)cc(F)cc1	PC-id_42465191	456.508	YBDBVLNCOGLQCW-MRXNPFEDSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140132
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2c(OCC)cccc2)C)cc(F)cc1	PC-id_42465193	456.508	YBDBVLNCOGLQCW-INIZCTEOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140133
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1ccccc1)Cc1ccccc1F	PC-id_134806600	456.511	AGXSQTGMWYBACE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140134
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1ccc(cc1)F)Cc1ccccc1	PC-id_134804892	456.511	XBZJRKVCYSCBCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140135
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1)cccc2OCC)C(=O)NC(=O)OC	PC-id_40946645	456.511	BFRDNKVUTRXMCT-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140136
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1)cccc2OC)C(=O)NC(=O)OCC	PC-id_40946464	456.511	RDNQXCPGPQLNHD-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140137
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1c2ncoc2ccc1)CC)C(=O)OC	PC-id_24000222	456.511	KQTWLAGFFSGIME-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140138
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1c2ncoc2ccc1)C)C(=O)OCC	PC-id_23972105	456.511	AEGHLHBCFSYSLW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140139
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ncoc2cc1)CC)C(=O)OC	PC-id_23832178	456.511	MCWZHTOPFHXBIJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140140
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ncoc2cc1)C)C(=O)OCC	PC-id_24055272	456.511	YZQLHJGEWGHUGZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140141
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ocnc2cc1)CC)C(=O)OC	PC-id_23972381	456.511	VJESIAAXTQXKIF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140142
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ocnc2cc1)C)C(=O)OCC	PC-id_24137155	456.511	KIDLLPAKEWQHQO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140143
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1c2ncoc2ccc1)C)C(=O)OC	PC-id_24027656	456.511	WFLLYNOARQMQSN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140144
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1c2ncoc2ccc1)C(=O)OCC	PC-id_24082497	456.511	MWECTCMQXQBZCV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140145
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ncoc2cc1)C)C(=O)OC	PC-id_23944086	456.511	BTIUGBREFKMILJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140146
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1cc2ncoc2cc1)C(=O)OCC	PC-id_24054891	456.511	NNMXSHCEOYMLCF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140147
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ocnc2cc1)C)C(=O)OC	PC-id_23916139	456.511	WVHNGBJPYXAJKZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140148
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1cc2ocnc2cc1)C(=O)OCC	PC-id_23999477	456.511	YUYSALTWKXDROK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140149
CN1CCN(CC1)C(=O)CCNC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	EMOLS-id_25387916,MCULE-7662808926,PC-id_46049558	456.513	CBKJSSFMTSZVMZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140150
COCCOCCOC(=O)NC(C(=O)NC1Cc2cnc(s2)CNC(=O)C1=O)C(C)C	PC-id_138730041,SCHEMBL21109192	456.513	XRBVWVKXMDEZKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140151
COCCOCCOC(=O)NC(C(=O)NC1Cc2ncc(s2)CNC(=O)C1=O)C(C)C	SCHEMBL21109214,PC-id_138730063	456.513	FDYROOOXVBLTMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140152
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)N2CCN(CC2)C)C)cc1	PC-id_46049516	456.513	ODIPZQSCUNSDJN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140153
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)N2CCN(CC2)C)C)cc1	PC-id_46049530	456.513	HHCKKESSFGZGBD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140154
c12c(cccc1C(=O)N(CCCCCC(=O)Nc1sc3c(CCCCC3)n1)C2=O)N(=O)=O	EMOLS-id_334603900,MCULE-2510863693	456.515	WRGYGSFSVMHMEH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-140155
O(c1ccc(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)cc1)CCO	PC-id_42430178	456.515	WKEBOJUMOAWNTF-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-140156
O(c1cc(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)ccc1)CCO	PC-id_26349602	456.515	LXYQUNGMUIAFJP-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-140157
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccoc3)CC2)ccc(OC)c1OC)C	PC-id_42169263	456.515	ZILZJACSGFMXHU-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-140158
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccoc3)CC2)c(OC)cc(OC)c1)C	PC-id_42324644	456.515	BKVILFLKKYUEKW-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-140159
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)cccc1OC)C	PC-id_42212892	456.515	CPBXOMPNEVNHOM-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-140160
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)ccc(OC)c1)C	PC-id_42320381	456.515	GGIJXGKLUXBLEP-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-140161
C=C(c1cnccc1)SC1=C(c2c(CCC1)nc(s2)NC(=O)c1c(cccc1F)F)N	SCHEMBL14222370,PC-id_89278376	456.531	ZJZMQVPHQQBCFT-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-140162
CCOC(=O)c1cc2c(n1Cc1cc(OC)c(c(c1)OC)OC)C(=O)C(=CN(C)C)CCC2	PC-id_145189625	456.531	UBMFHWOLPGSTMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140163
Fc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)cc(OC)cc1	PC-id_42421949	456.533	NVRIVGBNUHLUPV-HXUWFJFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-140164
Fc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)cc(OC)cc1	PC-id_42421955	456.533	NVRIVGBNUHLUPV-FQEVSTJZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-140165
Fc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)cc(OC)cc1	PC-id_74801931	456.533	NVRIVGBNUHLUPV-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-140166
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCCc1onc(n1)c1ccc(F)cc1	PC-id_40393496	456.533	PTSAURMRTGDKCY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140167
CCOC(=O)C(CCCCn1cnc2c1NC=NCC2O)(Cc1ccccc1)C(=O)OCC	PC-id_10647466,CHEMBL286464,BindingDB_PC-id_10647466	456.535	QMTBJIKALBZZFN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140168
CCN=c1[nH]c(C(=O)N2Cc3nccn3C[C@H](NC(=O)[C@H](F)Cc3ccccc3)C2)cs1	ZINC22_1875355041	456.536	YDMBIENIFRAFLX-DLBZAZTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-140169
CCN=c1[nH]c(C(=O)N2Cc3nccn3C[C@@H](NC(=O)[C@H](F)Cc3ccccc3)C2)cs1	ZINC22_1875355042	456.536	YDMBIENIFRAFLX-IAGOWNOFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140170
CCN=c1[nH]c(C(=O)N2Cc3nccn3C[C@H](NC(=O)[C@@H](F)Cc3ccccc3)C2)cs1	ZINC22_1875355043	456.536	YDMBIENIFRAFLX-IRXDYDNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140171
CCN=c1[nH]c(C(=O)N2Cc3nccn3C[C@@H](NC(=O)[C@@H](F)Cc3ccccc3)C2)cs1	ZINC22_1875355044	456.536	YDMBIENIFRAFLX-SJORKVTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-140172
c1(C(NC(=O)C2CCOC2)C(C)C)nnc2CCN(CCn12)C(=O)c1c2CCCCc2no1	MCULE-4039729377,EMOLS-id_232821385	456.538	KMUAKRCREGADSQ-UHFFFAOYSA-N	00000010100010000101000000010010000000000000000000000000	31-01-140173
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)c1onc3c1CCCC3)CC2	ZINC22_820718235	456.538	KMUAKRCREGADSQ-BEFAXECRSA-N	00000010100010000101000000010010000000000000000000000000	31-01-140174
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)c1onc3c1CCCC3)CC2	ZINC22_820718236	456.538	KMUAKRCREGADSQ-DNVCBOLYSA-N	00000010100010000101000000010010000000000000000000000000	31-01-140175
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)c1onc3c1CCCC3)CC2	ZINC22_820718237	456.538	KMUAKRCREGADSQ-HNAYVOBHSA-N	00000010100010000101000000010010000000000000000000000000	31-01-140176
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)c1onc3c1CCCC3)CC2	ZINC22_820718238	456.538	KMUAKRCREGADSQ-KXBFYZLASA-N	00000010100010000101000000010010000000000000000000000000	31-01-140177
O1CC(CC1)C(=O)NC(c1n2CCN(CCc2nn1)C(=O)c1noc2c1CCCC2)C(C)C	PC-id_45166238	456.538	ORQVPFPMPVPBRD-UHFFFAOYSA-N	00000010100010000101000000010010000000000000000000000000	31-01-140178
O1CCN(CC1)CCC(=O)Nc1cc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55888495	456.538	MIYCFIQBFTVATG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140179
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCc1onc(n1)c1ccsc1)C#N	PC-id_29949314	456.538	JVKUXKGGUPGFHE-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-140180
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCn1c(=O)c2c(scc2)nc1)C#N	PC-id_25567942	456.538	BDEMYJTVDGVVPD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140181
S(=O)(=O)(NCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(=O)OC)c1ccccc1	PC-id_42406139	456.538	WCYQARRAGVSACV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140182
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CN1CCOCC1)Cc1ccccc1C#N	PC-id_134810881	456.54	BBNCLAZTIZGQPO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140183
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)Cc1cccc(c1)c1ccco1	CoCoCo_1265096,ZINC22_20599908,CoCoCo_1265095,EMOLS-id_20495785,MCULE-6650998695,PC-id_29086709	456.54	OWZQSWFFVGOYLE-UHFFFAOYSA-N	00000000101000111101100000000010000000000000000000000000	31-01-140184
O=c1n2CCCCCc2nn1CC(=O)Nc1n(nc(c1)c1c(cccc1)C)Cc1ccccc1	PC-id_56369128	456.54	PKLMINQUAMZEPC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140185
O=C(NCc1n2CCCCCc2nn1)c1c(nn(c1)Cc1ccccc1)c1ccc(OC)cc1	PC-id_24676684	456.54	UNFNUWTWESZHBI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140186
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(F)(F)F)C(=O)OCC	PC-id_20166284	456.545	RVJOHIHCPJZKOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140187
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cccc1)C(F)(F)F)C(=O)OCC	PC-id_20412017	456.545	WMMVSNOLYLNKBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140188
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(F)(F)F)C(=O)OCC	PC-id_20412053	456.545	JBAJNFRNNJNOPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140189
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCc1cc(OC)c(OC)cc1)C)C#N	PC-id_55420628	456.555	VONQGEQOZJMCQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140190
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCN(CC1)CC)c2)Cc1ccc(cc1)F	EMOLS-id_32632870,PC-id_53086346,MCULE-3364712908	456.556	VILYTZKFHZPTEZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140191
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(CCn12)C(=O)C(=Cc1ccccc1)F	MCULE-6054667003,PC-id_45232111	456.556	AWQBTNUVMIIDMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140192
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)C=Cc3ccc(cc3)F)CCn12	MCULE-2211704830,PC-id_74777932	456.556	RAOVJTJSXCVYOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140193
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)/C(=C/c1ccccc1)/F)CC2	ZINC22_12329091,CoCoCo_1517265	456.556	AWQBTNUVMIIDMF-RMWKRFJVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140194
s1c2CCCCCCc2cc1C(=O)NCc1c(OCC(=O)NC[C@H]2OCCC2)cccc1	PC-id_52622155	456.598	GLTKDFVWHQWNMH-FQEVSTJZSA-N	00000010100000110100000000000010000000000000000000000000	31-01-140268
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)/C(=C/c1ccccc1)/F)CC2	ZINC22_12329095,CoCoCo_1517268	456.556	AWQBTNUVMIIDMF-YKRMCXMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-140195
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)/C=C/c1ccc(F)cc1)CC2	PC-id_42192938,CoCoCo_1235496,ZINC22_11816108	456.556	RAOVJTJSXCVYOQ-JRMCHAMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140196
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)/C=C/c1ccc(F)cc1)CC2	ZINC22_11816110,CoCoCo_1235499,CoCoCo_1235498,PC-id_42192942	456.556	RAOVJTJSXCVYOQ-OSICKASQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140197
CC(C)CC(NC(=O)CN(C)C)c1nnc2CCN(CCn12)C(=O)/C(=C/c1ccccc1)/F	ChEMBL-DNDi_CHEMBL69630175,EMOLS-id_26015921	456.556	AWQBTNUVMIIDMF-CYVLTUHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140198
CC(C)CC(NC(=O)CN(C)C)c1nnc2CCN(CCn12)C(=O)/C=C/c1ccc(F)cc1	PC-id_45187777,EMOLS-id_25996255	456.556	RAOVJTJSXCVYOQ-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140199
CC(C[C@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1ccc(cc1)F)NC(=O)CN(C)C)C	CoCoCo_1235497	456.556	RAOVJTJSXCVYOQ-ROFLEHJCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140200
CC(C[C@H](c1nnc2n1CCN(CC2)C(=O)/C(=Cc1ccccc1)/F)NC(=O)CN(C)C)C	CoCoCo_1517266	456.556	AWQBTNUVMIIDMF-ZWUNQBBJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140201
CC(C[C@@H](c1nnc2n1CCN(CC2)C(=O)/C(=Cc1ccccc1)/F)NC(=O)CN(C)C)C	CoCoCo_1517267	456.556	AWQBTNUVMIIDMF-ZAQQZEBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140202
FC(=Cc1ccccc1)C(=O)N1CCn2c(nnc2CC1)[C@H](NC(=O)CN(C)C)CC(C)C	PC-id_42539171	456.556	AWQBTNUVMIIDMF-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140203
FC(=Cc1ccccc1)C(=O)N1CCn2c(nnc2CC1)[C@@H](NC(=O)CN(C)C)CC(C)C	PC-id_42539175	456.556	AWQBTNUVMIIDMF-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140204
s1c2CCCCCc2nc1NC(=O)/C=C/c1nc(sc1)N(c1c(F)cccc1)C(=O)C	PC-id_55507503	456.556	AMCYTQXAYPHHSM-VAWYXSNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140205
s1c2CCCCCc2nc1NC(=O)C=Cc1nc(sc1)N(c1c(F)cccc1)C(=O)C	PC-id_76255026	456.556	AMCYTQXAYPHHSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140206
CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C(=O)N)CCCCC4)cc2[N+](=O)[O-])CC1	PC-id_17099185,ZINC22_21595995	456.558	ZUNDETDMNROUAL-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-140207
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)OCC	PC-id_19660064	456.558	BBUIETZQFGZWTN-ZVHZXABRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140208
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(N(C)C)cc1)C(=O)OCC	PC-id_73634528	456.558	BBUIETZQFGZWTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140209
O=C1NC(Cc2ccccc2)CN(c2c1nn(c2)CCc1ccccc1)C(=O)c1cccs1	PC-id_142695296	456.559	BBVLSURKXCNMPB-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-140210
O=C(c1cocc1)NCCc1nnc2n1CC[N@H+](CC2)CC(c1ccccc1)c1ccccc1	GD-id_ZINC14978698	456.559	DGSMXNOPCITKQJ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-140211
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C)c1occc1	PC-id_74793036	456.559	WHDAHFNAHJSWLM-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-140212
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C)c1occc1	PC-id_74844265	456.559	XHAVYKSRSRHVKH-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-140213
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C)c1occc1	PC-id_42341433	456.559	XHAVYKSRSRHVKH-HXUWFJFHSA-O	00000000101000110101100000000010000000000000000000000000	31-01-140214
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C)c1occc1	PC-id_42341434	456.559	XHAVYKSRSRHVKH-FQEVSTJZSA-O	00000000101000110101100000000010000000000000000000000000	31-01-140215
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C)c1occc1	PC-id_42375774	456.559	WHDAHFNAHJSWLM-HXUWFJFHSA-O	00000000101000110101100000000010000000000000000000000000	31-01-140216
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C)c1occc1	PC-id_42375775	456.559	WHDAHFNAHJSWLM-FQEVSTJZSA-O	00000000101000110101100000000010000000000000000000000000	31-01-140217
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(N)c(nn1)c1ccc(F)cc1)C)C#N	PC-id_24497008	456.559	QLWDSSRGOMKONR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140218
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(N)c(nn1)c1c(F)cccc1)C)C#N	PC-id_24497016	456.559	RMMMUKJNYWVFGX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140219
S(=O)(=O)(N1CC(OC(C1)C)C)N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55619948	456.56	YVZWZKSNVQOGDP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-140220
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1c(nnc1[S-])c1ccc(OC)cc1	PC-id_29911534	456.561	CFTYYZHTXREDHT-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-140221
s1c2CCCCCc2c(c1NC(=S)NC(=O)c1sc2c(c1)cc([N+](=O)[O-])cc2)C#N	PC-id_24156206	456.561	BTDSJYQLFZOXRA-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140222
Cc1c(ccc(c1)c1nn(c(c1)CCCOC)CC(=O)N1CCc2c(CC1)sc(n2)C)F	SCHEMBL15002059,PC-id_89607970	456.576	XXNOADZIYFKJLC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140223
COc1ccccc1N(C(=O)C)c1nc(COC(=O)c2cc3c(s2)CCCCC3)cs1	MCULE-4627450032,ZINC22_13041262,CoCoCo_2861314,EMOLS-id_24166625,PC-id_25688320	456.578	FBEIRHTUYVZYKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140224
N#Cc1ccc(cc1)CN1c2ccccc2C(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)C1=O	PC-id_59301620,SCHEMBL3284413	456.578	WBOGEKHCGAOSNY-UHFFFAOYSA-N	00000010100000110110000000001010000000000000000000000000	31-01-140225
N#Cc1ccc(cc1)CN1c2ccccc2/C(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)/C1=O	SCHEMBL13324672	456.578	WBOGEKHCGAOSNY-STBIYBPSSA-N	00000010100000110110000000001010000000000000000000000000	31-01-140226
N#Cc1ccc(cc1)CN1c2ccccc2/C(=C/c2cc(c3-c2c(C)ccc(c3)C(C)C)C)/C1=O	SCHEMBL3284410,PC-id_68580889	456.578	WBOGEKHCGAOSNY-RHANQZHGSA-N	00000010100000110110000000001010000000000000000000000000	31-01-140227
OC(c1ccc(/N=N/c2c3-c(c(cc(cc3C)C)C)cc2)cc1)(c1ccccc1)c1ccccc1	PC-id_10504003	456.578	KJSKPJOPAIEOFG-JEIPZWNWSA-N	00000010100000110110000000000010000000000000000000000000	31-01-140228
s1c2CCCCCc2cc1C(=O)OCc1nc(sc1)CC(=O)Nc1c(OC)cccc1	PC-id_45647902	456.578	OURKFMARYSUWMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140229
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCC(=O)c1ccc(SC)cc1)C#N	PC-id_24376971	456.578	OLGPBLAHZPFPMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140230
Cc1c(ccc(c1)c1nn(c(n1)CCC(C)C)CC(=O)N1CCc2c(CC1)sc(n2)N)F	SCHEMBL15024555,PC-id_89623283	456.579	POTGMVIZIDNRJK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140231
CCCCCc1nc(nn1CC(=O)N1CCc2c(CC1)nc(s2)N)c1ccc(c(c1)C)F	SCHEMBL15024540,PC-id_89623269	456.579	NCIJFWFQCXBFGA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140232
Oc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)ccn2Cc1ccccc1	PC-id_22737955,SCHEMBL6776196	456.579	SGODMOVLAVJFCE-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-140233
Oc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)cn(c2)Cc1ccccc1	PC-id_22737973,SCHEMBL6773771	456.579	MWYUERGWXGZWBL-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-140234
O=C1CCN(C(=O)c2c1ccn2Cc1ccccc1)CCCN1CCN(CC1)c1ccccc1	SCHEMBL6993124,PC-id_20083200	456.579	ZBMMNLPHSDTXMR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140235
O=C1CCN(C(=O)c2c1ccn2CCCN1CCN(CC1)c1ccccc1)Cc1ccccc1	PC-id_15229178,SCHEMBL6990381	456.579	MQEPEGCQQOONAB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140236
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3ccc(c(OC)c3)OC)CCn12	PC-id_45177637,MCULE-8169607004,ChEMBL-DNDi_CHEMBL16041104,EMOLS-id_20431205	456.581	WWRWXJIJHOKRLX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140237
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3ccc(c(OCC)c3)O)CCn12	MCULE-2722646408,PC-id_45185355,EMOLS-id_20464497	456.581	SJOKABSMBKOOLB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140238
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3cc(OC)ccc3OC)CCn12	PC-id_45168769,MCULE-1986813475,EMOLS-id_20392828	456.581	WWPIOASORNZAEA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140239
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3cc(OC)cc(OC)c3)CCn12	PC-id_45170849,EMOLS-id_20401910,MCULE-1810314164	456.581	QZBIOYRTZWLHHS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140240
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)n1c(CS(=O)(=O)C)nc2ccccc12	CoCoCo_4268772,ZINC22_12548342,PC-id_25350720	456.581	FNFOKYHTPJPWHF-AWEZNQCLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140241
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)n1c(CS(=O)(=O)C)nc2ccccc12	ZINC22_12548343,CoCoCo_4268771,PC-id_25350721	456.581	FNFOKYHTPJPWHF-CQSZACIVSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140242
CCOc1cc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCN(C)CC4)n3CC2)ccc1O	PC-id_28739273,CoCoCo_1220370,CoCoCo_1220367,ZINC22_11782871,CoCoCo_1220369,CoCoCo_1220368	456.581	SJOKABSMBKOOLB-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140243
CCOc1cc(CN2CCc3nnc([C@H](C)NC(=O)C4CCN(C)CC4)n3CC2)ccc1O	ZINC22_11782872,CoCoCo_1220374,PC-id_28739276,CoCoCo_1220373,CoCoCo_1220371,CoCoCo_1220372	456.581	SJOKABSMBKOOLB-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140244
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCN(C)CC4)n3CC2)cc1OC	CoCoCo_1174240,ZINC22_12036572,CoCoCo_1174238,CoCoCo_1174239,CoCoCo_1174237,PC-id_42367765	456.581	WWRWXJIJHOKRLX-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140245
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCN(C)CC4)n3CC2)cc1OC	CoCoCo_1174244,ZINC22_12036576,PC-id_42367770,CoCoCo_1174241,CoCoCo_1174243,CoCoCo_1174242	456.581	WWRWXJIJHOKRLX-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140246
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCN(C)CC4)n3CC2)cc(OC)c1	CoCoCo_1134362,CoCoCo_1134363,ZINC22_11970205,CoCoCo_1134364,CoCoCo_1134365,PC-id_42322429	456.581	QZBIOYRTZWLHHS-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140247
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)C4CCN(C)CC4)n3CC2)cc(OC)c1	CoCoCo_1134366,CoCoCo_1134368,PC-id_42322434,CoCoCo_1134367,ZINC22_11970214,CoCoCo_1134369	456.581	QZBIOYRTZWLHHS-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140248
COc1ccc(OC)c(CN2CCc3nnc([C@@H](C)NC(=O)C4CCN(C)CC4)n3CC2)c1	PC-id_42246078,CoCoCo_1122272,ZINC22_11880294,CoCoCo_1122273,CoCoCo_1122274,CoCoCo_1122275	456.581	WWPIOASORNZAEA-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140249
COc1ccc(OC)c(CN2CCc3nnc([C@H](C)NC(=O)C4CCN(C)CC4)n3CC2)c1	ZINC22_11880295,CoCoCo_1122277,PC-id_42246080,CoCoCo_1122278,CoCoCo_1122279,CoCoCo_1122276	456.581	WWPIOASORNZAEA-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140250
COC(=O)c1c(NC(=O)CSc2nnc(c3ccccc3)n2C)sc2c1CCCCC2	PC-id_4858467,CoCoCo_3074223,MCULE-3422967184,ZINC22_9392892,EMOLS-id_2875570	456.581	YNPBOLISSZAPMN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140251
N#Cc1c(sc2c1CCCCC2)NC(=O)C(n1c(nc2c1cccc2)CS(=O)(=O)C)C	EMOLS-id_13563891,MCULE-8490573556,PC-id_17478036	456.581	FNFOKYHTPJPWHF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140252
N#CC(=C(c1cc(c2-c1ccc(cc2)C(C)(C)C)C(C)(C)C)C(=C(C#N)C#N)C1C=CC=C1)C#N	PC-id_101439450	456.581	MMKLKLAYNZGSJK-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-140253
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(SCc2c(onc2C)C)nccc1	PC-id_24644263	456.581	YJGUACIJOFAQGY-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-140254
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c2ccc(cc2)C)cnn1)C(=O)OC	PC-id_52598462	456.581	OXXOYDGVKRZRAU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140255
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c2ccccc2)c(nn1)C)C(=O)OC	PC-id_19644167	456.581	VYROZWNNPYJVQY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140256
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c2ccccc2)cnn1)C(=O)OCC	PC-id_19644076	456.581	BAAXFNKJDPXUOX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140257
s1c2c(CCCCC2)c(c1NC(=O)CSc1nn(c2ccccc2)cn1)C(=O)OCC	PC-id_3318025	456.581	VIPACYVWNJAOSI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140258
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(SCc2noc(c2)C)nccc1	PC-id_35782312	456.581	BPIZIOPNRITRJV-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-140259
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c2ccccc2)cnn1)C(=O)OC	PC-id_19644052	456.581	KJDIPZKBUQHECN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140260
S(c1n2CCCCCc2nn1)CC(=O)Nc1cc(sc1C(=O)OCC)c1ccccc1	PC-id_24371216	456.581	MQFOMDLOXNAMAH-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-140261
S(c1n2CCCCCc2nn1)CC(=O)Nc1scc(c1C(=O)OCC)c1ccccc1	PC-id_2508340	456.581	PKHVNULVSAOKJL-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-140262
S=c1n(nc2n1CCCCC2)C[NH+]1CCN(CC1)Cc1onc(n1)c1ccc(OC)cc1	PC-id_30740842	456.584	KEUGADIFIXVPSC-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-140263
CCCC1=Nc2ccnn2CC(=C1Cc1ccc(cc1)c1ccccc1CCN=NNNC)N	PC-id_141802888	456.586	PVINKCQOSCIKPD-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-140264
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(N)c(n2nc(cc2C)C)nn1)C)C#N	PC-id_55426558	456.588	QWGKLIVCNLFQJA-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-140265
COC1CCN(C(=O)c2c1n(CC)cc2C)CCCCN1CCN(CC1)c1ccc(cc1)F	PC-id_22737912,SCHEMBL6775741	456.596	FTSWLUTWXWLNHP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140266
s1c2CCCCCCc2cc1C(=O)NCc1c(OCC(=O)NCC2OCCC2)cccc1	PC-id_75884971	456.598	GLTKDFVWHQWNMH-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-140267
s1c2CCCCCCc2cc1C(=O)NCc1c(OCC(=O)NC[C@@H]2OCCC2)cccc1	PC-id_52622156	456.598	GLTKDFVWHQWNMH-HXUWFJFHSA-N	00000010100000110100000000000010000000000000000000000000	31-01-140269
C#CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1C)CCCCCC2	ZINC22_409011540	456.599	GBSQQMZLZMIWTN-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140270
C#CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1cccc(C)c1)CCCCCC2	ZINC22_409014110	456.599	MDFPLXAPDAFMRN-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140271
C#CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCCCC2	ZINC22_409019035	456.599	VKEPAOWECIEBGP-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140272
C#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2C)CCCCCC3)cc1	ZINC22_409018289	456.599	UKRXNDGAVPSEBR-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140273
C#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCCCC3)cc1	ZINC22_409010181	456.599	APDJUHKXTCSVID-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140274
C#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2)CCCCCC3)cc1	ZINC22_409017635	456.599	SNULXSNJLSTSII-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140275
S1CC(CSc2sc(=S)sc12)(COS(=O)(=O)[O-])COS(=O)(=O)[O-]	PC-id_21588324	456.599	FDAWUAYZPBAZGZ-UHFFFAOYSA-L	00000000100000000101000000000010000000000000000000000000	31-01-140276
S(=O)(=O)(c1c2-c(cc(ccc2C)C(C)C)c(c1)C)Nc1ccc(cc1)/N=C/c1ccccc1	PC-id_56672564,CHEMBL1837003	456.599	PGIXOKORJXOMLM-RDRPBHBLSA-N	00000010100000110110000000000010000000000000000000000000	31-01-140277
CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN(C)C)CCCCC3)/C(=O)N2	SCHEMBL6701481,PC-id_60113719	456.601	WJNCLRBHVUURBX-HKWRFOASSA-N	00000010100000100100000000001010000000000000000000000000	31-01-140278
COCc1ccc(o1)C(=O)NCc1nnc2n1CC[N@@H+](CC2)CCC1=C(C)CCCC1(C)C	GD-id_ZINC14990181	456.601	ORHHYJYFOCBKIQ-UHFFFAOYSA-O	00000000101011000101000000000010000000000000000000000000	31-01-140279
O1CC(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2c(c(c(OC)cc2)C)C)C(C)C)CC1	PC-id_74786038	456.601	PUHJAYRDRXDNHI-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-140280
O1C[C@H](C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2c(c(c(OC)cc2)C)C)C(C)C)CC1	PC-id_42248079	456.601	PUHJAYRDRXDNHI-OFNKIYASSA-O	00000010100000110101000000000010000000000000000000000000	31-01-140281
O1C[C@H](C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2c(c(c(OC)cc2)C)C)C(C)C)CC1	PC-id_42248080	456.601	PUHJAYRDRXDNHI-NFBKMPQASA-O	00000010100000110101000000000010000000000000000000000000	31-01-140282
S(=O)(=O)(NC)c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCN(C)C)C(=O)Nc2cc1	PC-id_72651811	456.601	WJNCLRBHVUURBX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-140283
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(=O)c2c(scc2)n1)CC=C)C#N	PC-id_45716163	456.604	QXDIANRWTNMORT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140284
s1c2CCCCCc2nc1NC(=O)c1oc2c(c1CSc1sc(nn1)C)cccc2	PC-id_56258982	456.604	VRUBFGINRJTRBV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140285
S(c1n2CCCCCc2nn1)CC(=O)N1CCN(CC1)CC(=O)Nc1c(cccc1C)C	PC-id_43032673	456.604	JQPBZMCKTDAANF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140286
CCCC(=O)OC/C/1=CCCc2coc(c2)C/C(=C/C[C@H](CC1)C(=C)COC(=O)CCC)/C	UNPD36877	456.614	HRDQGQBHRFWIQU-QKSPPNDISA-N	00000000100000000110000000000010000000000000000000000000	31-01-140287
O=C(OC/C/1=CCCc2coc(c2)C/C(=C/CC(C(=C)COC(=O)CCC)CC1)/C)CCC	CNP0305014	456.614	HRDQGQBHRFWIQU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-140288
C(=C(C)/C(=O)OC)(/C(=O)c1c(C)ccc(C(C)C)c1)c1cc(C)c2-c1c(ccc(c2)C(C)C)C	UNPD206236,PC-id_102597836,CMNPD22792	456.616	FXQUVBUSJLMEOX-IADYIPOJSA-N	00000010100000110110000000000010000000000000000000000000	31-01-140289
O=C(OC)C(=C(C(=O)c1cc(ccc1C)C(C)C)c1cc(c2-c1c(ccc(c2)C(C)C)C)C)C	CNP0180915	456.616	FXQUVBUSJLMEOX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-140290
CCCC/C(=N/C(=CC)/c1ccc(c(c1)C)F)/NCC(=O)N1CCc2c(CC1)nc(s2)C	SCHEMBL15025577	456.619	XRFCAWANJZCAJA-MPUCSWFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140291
CCCCC(=NCC(=O)N1CCc2c(CC1)sc(n2)C)NC(=CC)c1cc(c(cc1)F)C	PC-id_89624152	456.619	XRFCAWANJZCAJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140292
c1(c2CCCCCc2sc1NCc1sccc1C)C(=O)Nc1ccc(cc1OC)OC	CoCoCo_2720528,PC-id_5244868,CHEMBL1531819,MCULE-5726824144,EMOLS-id_16406272	456.621	HMCMRAKWSIOFRN-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-140293
c1(c2CCCCCc2sc1NCc1sccc1C)C(=O)Nc1c(OC)ccc(OC)c1	CoCoCo_2720523,MCULE-2105741405,EMOLS-id_16406264,SCHEMBL10077272,CHEMBL1552739,PC-id_4611917	456.621	YFMSTTGMOILRGT-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-140294
c1(NC(=O)C(C)Sc2c3ccccc3n(C)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-5923751704,EMOLS-id_16384154,PC-id_3471092	456.621	NETSCMQWZQFBKJ-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-140295
c1(NC(=O)C(C)Sc2c3ccccc3[nH]c2C)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_30135201,MCULE-6564029781,PC-id_3468094	456.621	WXUFGZYTJGNHKG-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-140296
c1(NC(=O)CSc2c3ccccc3n(CC)c2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3276649,EMOLS-id_16384242,MCULE-5377108501,ZINC22_3581926,CoCoCo_2667480,GD-id_ZINC03581926	456.621	RMNHWDSOEINWAM-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-140297
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2c(C)[nH]c3ccccc23)sc2c1CCCCC2	PC-id_40875393,ZINC22_8922795	456.621	WXUFGZYTJGNHKG-OAHLLOKOSA-N	00000000100000100100000001100010000000000000000000000000	31-01-140298
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2c(C)[nH]c3ccccc23)sc2c1CCCCC2	ZINC22_8922797,PC-id_40875395	456.621	WXUFGZYTJGNHKG-HNNXBMFYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-140299
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2cn(C)c3ccccc23)sc2c1CCCCC2	CoCoCo_2667418,PC-id_40461046,ZINC22_3581811	456.621	NETSCMQWZQFBKJ-HNNXBMFYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-140300
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2cn(C)c3ccccc23)sc2c1CCCCC2	ZINC22_3581809,CoCoCo_2667417,PC-id_40461045	456.621	NETSCMQWZQFBKJ-OAHLLOKOSA-N	00000000100000100100000001100010000000000000000000000000	31-01-140301
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCC(CC1)C)C(=O)Nc1c(OC)cccc1	PC-id_26875598	456.621	YRMFMCIHCKXYAK-UHFFFAOYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-140302
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCCCCC1)C(=O)Nc1c(OC)cccc1	PC-id_26875603	456.621	VHFFNGHTJXYXIL-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-140303
Cc1cn(c2c1C(=O)N(CCCN1CCN(CC1)c1ccccc1)CCC2)Cc1ccccc1	SCHEMBL6769923,PC-id_22738007	456.622	BNVDONBACIMGHH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140304
Cc1ccc(cc1)S(=O)(=O)NC(c1ccccc1)CCSc1nnc2n1CCCCC2	MCULE-4692770706,PC-id_47094387,EMOLS-id_45733679	456.624	DNEYZUQZSBYEIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140305
Cc1ccc(S(=O)(=O)N[C@@H](CCSc2nnc3n2CCCCC3)c2ccccc2)cc1	PC-id_92786978,ZINC22_23936819	456.624	DNEYZUQZSBYEIX-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140306
Cc1ccc(S(=O)(=O)N[C@H](CCSc2nnc3n2CCCCC3)c2ccccc2)cc1	ZINC22_23936822,PC-id_92786979	456.624	DNEYZUQZSBYEIX-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140307
Cc1sc2nc(CN3CCN(C(=O)c4cc5c(s4)CCCCC5)CC3)[nH]c(=O)c2c1C	MCULE-2656171041,EMOLS-id_13415850,GD-id_ZINC23873216,CoCoCo_3678495,ZINC22_23873216,PC-id_16333864	456.624	NLFYHHUOTPTTRL-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-140308
CCCCCC(/C=C/c1nc(c2n1CCCN(C2)C)C(=O)NC(C(C)(C)C)C(=O)NC)C#N	SCHEMBL3890739,PC-id_68828244	456.624	QDARKOTUQRQEFZ-OUKQBFOZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140309
CCCCC(CC(=C)c1nc(c2n1CCCN(C2)C)C(=O)NC(C(C)(C)C)C(=O)NC)C#N	SCHEMBL3890745,PC-id_68828246	456.624	UGSBMDCHJKJMTG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140310
CCCCC(CC=Cc1nc(c2n1CCCN(C2)C)C(=O)NC(C(=O)NC)C(C)(C)C)C#N	PC-id_87590483	456.624	PJLOTWTWYNUSSY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140311
CCCCC(CC(=C)c1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC)C#N	PC-id_68828245,SCHEMBL3890742	456.624	UGSBMDCHJKJMTG-BDPMCISCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140312
CCCCC(CC=Cc1nc(c2n1CCCN(C2)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC)C#N	PC-id_68828247,SCHEMBL3890748	456.624	PJLOTWTWYNUSSY-LMNIDFBRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140313
O=C(c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1cccc(c1)S(=O)(C)C)N1CCCC1	SCHEMBL13591882	456.624	OOJCBRAUFLUBKM-BIQGZCMSSA-N	00000010100000110111000000000010000000000000000000000000	31-01-140314
O=C(NC(C(C)(C)C)C(=O)NC)c1nc(n2c1CN(CCC2)C)C=CC(CCCCC)C#N	PC-id_77560239	456.624	QDARKOTUQRQEFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140315
s1c2c(CCCCC2)cc1C(=O)N1CCN(CC1)CC1=NC(=O)C2C(=N1)SC(=C2C)C	PC-id_73250232	456.624	IAECNDWINFLVGQ-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-140316
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)c1sc(cc1)C)C#N	PC-id_55915522	456.624	SWCSUZNZUMEPAB-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-140317
s1c2CCCCCc2c(c1NC(=O)CCN(CC(=O)Nc1c(SC)cccc1)C)C#N	PC-id_38211095	456.624	RMXZHHOSZSDKHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140318
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCC(NC(=O)c2ccsc2)CC1)C)C#N	PC-id_56069807	456.624	LSPAEVJAXGRKIL-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-140319
s1c2c(CCCCC2)c(c1NC(=O)CN1CCC(NC(=O)c2sc(cc2)C)CC1)C#N	PC-id_56232073	456.624	SOFUSOPGHKJDNV-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-140320
s1c2CCCCCc2c(c1NC(=O)C(N(CC(=O)Nc1c(SC)cccc1)C)C)C#N	PC-id_55430681	456.624	FWOQQYHLQQWDQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140321
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(CCCC)ccc2c1N)C(=O)N	PC-id_23832678	456.624	WVOBAWMXNONELK-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140322
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(CC(C)C)ccc2c1N)C(=O)N	PC-id_23888888	456.624	OZFDMLHCAAWSNE-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140323
C1CCN(CC1)CCN=C1c2nn(cc2NC[C@H](N1)Cc1ccccc1)CCc1ccccc1	PC-id_135858173,SCHEMBL3467647	456.626	HCLOWHLEEJWQFV-RUZDIDTESA-N	00000000100010110101000000000010000000000000000000000000	31-01-140324
C1CCN(CC1)CCN=C1c2nn(cc2NCC(N1)Cc1ccccc1)CCc1ccccc1	SCHEMBL3467651,PC-id_136376676	456.626	HCLOWHLEEJWQFV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140325
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(OCC)cc(cc1)/C=C/C	PC-id_30377279	456.641	OJTNYGNXASIKAM-QLKAYGNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140326
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(OCC)cc(cc1)C=CC	PC-id_85463199	456.641	OJTNYGNXASIKAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140327
C[C@H]1CCCN(C(=O)C2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)C1	CoCoCo_4892654,ZINC22_32927228,CoCoCo_4892653,PC-id_40165185	456.644	WKJRIOSJXHPRNS-SFHVURJKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-140328
C[C@@H]1CCCN(C(=O)C2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)C1	ZINC22_32927225,CoCoCo_4892652,PC-id_40165181,CoCoCo_4892651	456.644	WKJRIOSJXHPRNS-GOSISDBHSA-N	00000000100010000100000000000010000000000000000000000000	31-01-140329
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C(=O)N2CCCCCC2)CC1	PC-id_41147451,CoCoCo_4233213,ZINC22_9620409,CoCoCo_4233212	456.644	BASUNHSVRJORTO-SFHVURJKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-140330
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C(=O)N2CCCCCC2)CC1	PC-id_41147454,CoCoCo_4233215,CoCoCo_4233214,ZINC22_9620415	456.644	BASUNHSVRJORTO-GOSISDBHSA-N	00000000100010000100000000000010000000000000000000000000	31-01-140331
N#Cc1c(NC(=O)CCN2CCC(CC2)C(=O)N2CCCC(C2)C)sc2c1CCCCC2	PC-id_42961092,EMOLS-id_25672719,MCULE-8073669412	456.644	WKJRIOSJXHPRNS-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-140332
N#Cc1c(NC(=O)C(N2CCC(CC2)C(=O)N2CCCCCC2)C)sc2c1CCCCC2	PC-id_16343598,EMOLS-id_11787109,MCULE-9673661616	456.644	BASUNHSVRJORTO-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-140333
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)N1CCCCCC1)C#N	PC-id_24492455	456.644	SKAWMIMQOCHGSI-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-140334
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(NC(=O)C2CCCCC2)CC1)C#N	PC-id_56172366	456.644	LQBFQLLWDOYNAA-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-140335
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCC(NC(=O)C2CCCCC2)CC1)C)C#N	PC-id_56172742	456.644	RXDIFQQQUSNUQZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-140336
O=C(C1CCC1)NCCc1nnc2n1CCN(CC2)Cc1ccc(s1)CN1CCCCC1	ChEMBL-DNDi_CHEMBL10532090	456.647	NDYAXJYVJMYLKY-UHFFFAOYSA-N	00001000100110000101000000000010000000000000000000000000	31-01-140337
O=C(N1C=Nc2c([C@@H](C1)O[Si](C(C)(C)C)(C)C)ncn2Cc1ccccc1)OC(C)(C)C	PC-id_101651939	456.653	HTKOTJQEVDEURA-LJQANCHMSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140338
C(c1c2-c(cc1)ccc(C(C)(C)C)cc2)(c1c2-c(cc1)ccc(C(C)(C)C)cc2)c1ccccc1	PC-id_15213350	456.66	YLCYIIZTVGWNIV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-140339
C(c1c2-c(c(C(C)(C)C)c1)ccccc2)(c1c2-c(c(C(C)(C)C)c1)ccccc2)c1ccccc1	PC-id_15213352	456.66	VDQQTVNSYFVBNB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-140340
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CCC(CC1)Cc1ccccc1	TIMTEC501555,ZINC22_20168454,MCULE-6169695583,EMOLS-id_4142329,CoCoCo_6800667,PC-id_3304336	456.664	VJDRIKSCAXQHJY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140341
c1(sc2c(CCCCCC2)c1C(=O)OC)NC(=S)N1CCC(CC1)Cc1ccccc1	EMOLS-id_4142331,MCULE-6787088106,TIMTEC321942,ZINC22_20220633,CoCoCo_6800321,PC-id_3273002	456.664	MWTXXKFGRRQFRV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140342
CCc1c(CNC(=C)C2=Nc3ncc(n3C(C=C2)C(=C)C)C)ccc(c1C)C(=C)CC(C)(C)C	PC-id_143344340	456.665	PWOSZAHJWXQBOB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140343
[Si](c1ccc2-c(c(cc2C(=O)OCCCCCC)C(=O)OCCCCCC)cc1)(C)(C)C	PC-id_86212128	456.69	PFCWKSKNERMEOW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-140344
CCO[Si](c1c(cc2-c1ccccc2)C(C)C)(c1c(cc2-c1ccccc2)C(C)C)OCC	PC-id_139893944	456.691	UQEUCKRLXUMTBQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-140345
O=C1C(=C/C(=C/c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)/C=C1C(C)(C)C)C(C)(C)C	PC-id_10599911	456.702	ISKMRAGKXPLFFL-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-140346
c1(NC(=O)CCC(=O)Nc2ccc(c(Cl)c2)Br)sc2c(CCCCC2)n1	EMOLS-id_335132757,MCULE-2631469750	456.784	RMUHYFYYQNATLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140347
Clc1ccnc(c1)Cn1c(Oc2cccc(c2)OC(F)(F)F)nc2c1COOCN2C	SCHEMBL16364008,PC-id_117793996	456.803	CKVRRWNZALBMER-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140348
Clc1c(N2CCC(CC2)C(=O)NCc2n3CCCCCc3nn2)ncc(c1)C(F)(F)F	PC-id_24620329	456.892	AYDKEHDLNJSHNZ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-140349
Fc1ccc(Cl)cc1C(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	ZINC22_11787926,MCULE-6749803096,PC-id_42168371,EMOLS-id_20426993,CoCoCo_1168325	456.9	WRAQVKCGLCVCDF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140350
Fc1c(Cl)cccc1C(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	CoCoCo_1227294,EMOLS-id_20469181,ZINC22_11785367,PC-id_42165554,MCULE-1136374816	456.9	KOZFPIPULLGRLT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140351
Clc1cc(ccc1C(=O)N1CCCC(=O)c2c1ccs2)NC(=O)c1cccc(c1C)F	PC-id_21467145,SCHEMBL6989777	456.917	GTYOXYYGJDXGKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140352
Clc1cc(ccc1NC(=O)c1cccc(c1C)F)C(=O)N1CCCC(=O)c2c1ccs2	PC-id_69952509,SCHEMBL6985550	456.917	DWVSVGVKQULBAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140353
Clc1cc(C(=O)N2CCCC(=O)c3sccc23)ccc1NC(=O)c1c(ccc(F)c1)C	SCHEMBL6987523,PC-id_57094888	456.917	CPGNRDBNWQZCML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140354
Clc1cc(C(=O)N2CCCC(=O)c3sccc23)ccc1NC(=O)c1c(cc(F)cc1)C	SCHEMBL6995228,PC-id_69955668	456.917	RSKJBDIDMUSSSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140355
COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c(Cl)c1OC	ZINC22_14882915,PC-id_26278848,MCULE-8516498363,EMOLS-id_20453885	456.925	RPRRUIMYSFROGV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140356
Clc1c(C2(O)CCN(CC2)CCCc2n3CCCCCc3nn2)cc(cc1)C(F)(F)F	SCHEMBL7963703,PC-id_59939381	456.932	NHYPRNZTMGDSIR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140357
Clc1c(cc(C2(O)CCN(CC2)CCCc2n3CCCCCc3nn2)cc1)C(F)(F)F	PC-id_15521159,SCHEMBL7957541	456.932	POYOIBYMBUYQQU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140358
Clc1c(CN2CCn3c(nnc3CC2)C(NC(=O)c2ncccc2)C(C)C)c(F)ccc1	PC-id_56852630	456.944	QYIVSVKTJTZENA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140359
Clc1ccc(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3CCCCCc3c2C#N)C)cc1	PC-id_42990238	456.945	ALUHIMSYFDRRDR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-140360
Clc1ccc([C@@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3CCCCCc3c2C#N)C)cc1	PC-id_51714168	456.945	ALUHIMSYFDRRDR-QFIPXVFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-140361
Clc1ccc([C@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3CCCCCc3c2C#N)C)cc1	PC-id_51714169	456.945	ALUHIMSYFDRRDR-JOCHJYFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-140362
Clc1ccc(cc1)Cn1cc(c2c1CC=CC=C2)C(=O)c1nccn1S(=O)(=O)N(C)C	PC-id_142219608	456.945	XIJNGBFYACKJNR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140363
Clc1ccc(n2nc(C(=O)NNC(=O)c3sc4CCCCCc4c3)c(=O)cc2C)cc1	PC-id_24503527	456.945	SDQIDVSQBLPZHS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140364
Clc1c(C[NH+]2CCn3c(nnc3CNC(=O)c3ccccc3)CC2)ccc(OC)c1OC	PC-id_42467830	456.945	DLLZZVLNAJHGLT-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140365
Clc1c(n2nc(C(=O)NNC(=O)c3sc4CCCCCc4c3)c(=O)cc2C)cccc1	PC-id_24503528	456.945	UIJSYXVKOANXCB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140366
ClC(=Cc1ccccc1)C[NH+]1CCn2c(nnc2CNC(=O)c2oc(cc2)COC)CC1	PC-id_42163564	456.945	UWDUGNWOUOBWEW-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-140367
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1C)NC(=O)c1cccc(c1C)F	PC-id_142627647	456.96	ASAGVKKKQAYRRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140368
Fc1ccc(c(c1)Cl)C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	GD-id_ZINC20437397	456.96	QGVHZUBRQRXJLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140369
Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)C)C(=O)N1CCCCc2c1cc(s2)Cl)C	PC-id_142627645	456.96	RFEWVDYSOWBKRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140370
CC([C@H](c1nnc2n1CC[N@H+](CC2)Cc1cc2OCOc2cc1Cl)NS(=O)(=O)C)C	GD-id_ZINC12079483	456.967	WEVWBJMZRGGKEH-GOSISDBHSA-O	00000010100000100101000000001010000000000000000000000000	31-01-140371
Clc1ccc(C2(CCCC2)C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_4009312	456.985	JCCUMGOFCPEJEE-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-140372
c1(NC(=O)c2cccc(c2)Cn2c(C)c(c(C)n2)Cl)sc2c(CCCCC2)c1C(=O)N	PC-id_4170256,EMOLS-id_15933207,CoCoCo_1859358,MCULE-7055772433	456.988	XSSPPNUVIRNBSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140373
Clc1ccc(c2oc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)C)CC(C)C)CC3)cc2)cc1	PC-id_42407151	456.988	IGBTXUOQRFSGSN-OAQYLSRUSA-O	00000000101000110101100000000010000000000000000000000000	31-01-140374
Clc1ccc(c2oc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)C)CC(C)C)CC3)cc2)cc1	PC-id_42407152	456.988	IGBTXUOQRFSGSN-NRFANRHFSA-O	00000000101000110101100000000010000000000000000000000000	31-01-140375
Clc1ccc(c2oc(C[NH+]3CCn4c(nnc4C(NC(=O)C)CC(C)C)CC3)cc2)cc1	PC-id_74801142	456.988	IGBTXUOQRFSGSN-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-140376
Clc1ccc(C(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)cc1	PC-id_46551797	456.988	CNBAPCPTSTYQFP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140377
Clc1c(C(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)cccc1	PC-id_24446332	456.988	KTHLBJAXCFNANE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140378
SCC(c1nc2c([nH]1)C=C(CC=C2)Cl)NC(=O)c1ccc(c(c1)C)C(=O)N1CCCC1	PC-id_142911524	456.988	NHCBLXLMVYQYRE-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-140379
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2c(SC)cccc2)c1	PC-id_57126845	457.008	QMCARSMJQCMFCV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140380
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)c2c(SC)cccc2)cc1	SCHEMBL6990820,PC-id_69954480	457.008	GMAQXKZCYFHWKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140381
Clc1ccc(cc1)c1ccc(nc1)C#CC1=Cc2nc(n(c2CC=C1)C)NC(C(C)(C)C)C	PC-id_143125071	457.01	ATYODPBARABRPL-UHFFFAOYSA-N	00000000100000111111100000000010000000000000000000000000	31-01-140382
CN1CCc2c(CC1)cc(s2)C(=O)NC(c1nc2c([nH]1)cc(cc2)Cl)c1cccs1	PC-id_145508640	457.011	NMCXTLLVXXSGHX-UHFFFAOYSA-N	00000000100100100101000001000010000000000000000000000000	31-01-140383
Clc1ccc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C#N)cc1	PC-id_22195798	457.031	BDQATZDPRJIREZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140384
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C#N)ccc1	PC-id_22195223	457.031	PAMUYQNKUVGMSR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140385
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C#N)c(cc1)C	PC-id_22199257	457.031	QGOHJEHONWYUBU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140386
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C#N)cccc1	PC-id_22194649	457.031	YKRLDVCXMQAGQW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140387
c1(C(=O)Nc2sc3c(CCCCCCCCCC3)c2C#N)c(Cl)c2c(cccc2)s1	PC-id_1758421,MCULE-8574082688,SPECS-id_AK-968/40729222,TIMTEC200482,ZINC22_2103206,CoCoCo_6817302,EMOLS-id_4142577	457.051	HRRJFLYZEMMNQR-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140388
Brc1[nH]c2c(c1Br)C(=NNc1ccc(cc1)N(=O)=O)CCNC2=O	PC-id_136603840,BindingDB-id_111109	457.077	MEYLOAKJICLTMP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140389
C1C=C(c2c(C(=O)N1)[nH]c(c2Br)Br)NNc1ccc(cc1)[N+](=O)[O-]	PC-id_91519193	457.077	GEECMGYQMDCRBQ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-140390
C1CNC(=O)c2c(/C/1=N/Nc1ccc(cc1)[N+](=O)[O-])c(c([nH]2)Br)Br	PC-id_135518327,SCHEMBL13341107	457.077	MEYLOAKJICLTMP-AWQFTUOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140391
C1CNC(=O)c2c(/C/1=NNc1ccc(cc1)[N+](=O)[O-])c(c([nH]2)Br)Br	PC-id_136383996,SCHEMBL3426130	457.077	MEYLOAKJICLTMP-UKWGHVSLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140392
CC1=C(C=C(C=C1)NC(=O)C2=C3CC[C@](NS(=O)(=O)C3=CN2C)(CO)C=C)C(F)(F)F	PC-id_161675980	457.128	RVJBVHNJKYXBIH-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-140393
CC1=C(C=C(C=C1)NC(=O)C2=C3CC[C@@](NS(=O)(=O)C3=CN2C)(CO)C=C)C(F)(F)F	PC-id_161675981	457.128	RVJBVHNJKYXBIH-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140394
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)N=CS2)NC(=O)OCC3=CC=CC=C3	PC-id_160510259	457.167	QSYLPUQYANYGIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140395
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)SC=N2)NC(=O)OCC3=CC=CC=C3	PC-id_149136166	457.167	REYGWJVFYUQZRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140396
CC(C)C(C(=O)CC1CC2=CN=C(S2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_161068138	457.167	UEHOLWTYHPNZTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140397
CC(C)C(C(=O)CC1CC2=NC=C(S2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_147420287	457.167	DSIPMLVRQVXEAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140398
CC(C)C(C(=O)CC1CCC2=C(CNC(=O)C1=O)N=CS2)NC(=O)OCC3=CC=CC=C3	PC-id_152957321	457.167	UPWMZMRJJSDRPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140399
CC(C)C(C(=O)CC1CCC2=C(CNC(=O)C1=O)SC=N2)NC(=O)OCC3=CC=CC=C3	PC-id_149415687	457.167	YSDBDUSIXCEWNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140400
CC1=CC(=CC(=C1)Cl)COC(=O)N2CCCN3C(=CC(=N3)C(=O)N4CCC5C4CCN5)C2	PC-id_161811329	457.188	XTZPLKNBHWHDBH-UHFFFAOYSA-N	00000010100000110101000000000110000000000000000000000000	31-01-140401
CC(C)C[C@H]1CCC2=C(N(C=C2S(=NC3CC3)(=O)N1)C)C(=O)NC4=CC(=C(C=C4)F)C#N	PC-id_147753469	457.195	HCQPJYRVKLGVCF-DTWMZXIHSA-N	00100000100000110101000000000010000000000000000000000000	31-01-140402
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCOC(=O)C3=CC=CC(=C3)C(=O)OC	PC-id_155203744	457.221	GTCLPXINVUHKQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140403
CCC1=NN(C2=C1C(=O)NCCCOCCC2)C[C@@H](C)COC(=O)C3=CC=C(C=C3)C(=O)O	PC-id_148003133	457.221	IXIPSPUXYNIISU-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140404
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3=CC(=CC=C3)OC	PC-id_155171350	457.258	QAUATGYSVQXWBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140405
Ic1c(C(=O)Nc2sc3CCCCCCc3n2)cc([N+](=O)[O-])cc1	PC-id_56021085	457.286	AWSVJDWPZQVGKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140406
c12C(=O)N(CCCn1nc(C(=O)Nc1cccc(Br)c1)c2)Cc1ccc(cc1)F	PC-id_53034508,MCULE-2756162504,EMOLS-id_32632866	457.296	HSTCLFVOKWQKPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140407
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1)Br)c2)Cc1ccc(cc1)F	MCULE-8017706825,PC-id_53034507,EMOLS-id_32632862	457.296	SSVNGHKCYNAINV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140408
COC(=O)c1c(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)sc2c1CCCCC2	MCULE-9647193073,ZINC22_13114215,CoCoCo_2860574,PC-id_4528288	457.328	JHFWDCLXFOEOMB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-140409
c12CCCCCc1c(C(=O)Nc1ccccc1C)c(NC(=O)C(Br)(F)F)s2	MCULE-6366845519,ZINC22_1772572344,SCHEMBL20541766,EMOLS-id_320409858	457.332	VLFFBQAZZDJCHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140410
s1c(nc(c2ccc(OC(F)F)cc2)c1)Cc1n2c(nn1)CCCCC2.Br	CHEMBL1496600	457.335	GKSDHMMSGZGONI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140411
Brc1ccc(c2nn(nn2)CC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_28221546	457.347	QJFVKYUKMKPLQK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140412
CN1C(=O)CCCc2occ(C(=O)N(C)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)c12	ZINC22_1875346414	457.349	CXHUQVZWKIEYFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140413
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)Cl)c2)Cc1ccc(cc1)Cl	EMOLS-id_32846272,MCULE-1627179659,PC-id_50797883	457.352	NJPARABDZFEDIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140414
Brc1c2/C(=C/c3[nH]c4CCCN(C(=O)c4c3C)CCNCC)/C(=O)Nc2ccc1	PC-id_70917182,SCHEMBL13480212	457.363	ZKQMIKTZLWDQQZ-OWBHPGMISA-N	00000010100000100100000000001010000000000000000000000000	31-01-140415
Brc1c2C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CCNCC)C(=O)Nc2ccc1	PC-id_77953843	457.363	ZKQMIKTZLWDQQZ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-140416
Brc1cc2/C(=C/c3[nH]c4CCCN(C(=O)c4c3C)CCN(C)C)/C(=O)Nc2cc1	PC-id_25114920,SCHEMBL3131269	457.363	KMOUVYQZMKAOLG-VBKFSLOCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-140417
Brc1cc2C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CCN(C)C)C(=O)Nc2cc1	PC-id_68523000	457.363	KMOUVYQZMKAOLG-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-140418
Brc1ccc(n2nc(c(C(=O)NCCc3n4CCCCCc4nn3)c2C)C)cc1	PC-id_52687322	457.367	QMOGTUQKXYCYTK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140419
CCc1c(c2c([nH]1)CCC=C(N=C2OCC)CCc1cc2c(nc1)n(nn2)C)Br	PC-id_137103459	457.367	WKIALVSMTNVDSX-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-140420
Brc1cc(F)c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_20410038	457.38	YKOMFRZBGKVDFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140421
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Br)o2)sc2c1CCCCCC2	ZINC22_408969288	457.383	KVDWBSFNWNONRY-ZVHZXABRSA-N	00000000101000110100000000000010000000000000000000000000	31-01-140422
CC(OC(=O)C1=CN(CC(c2c1c(co2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659794	457.391	MSGBQAIFFVLRPJ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-140423
CC(OC(=O)C1=CN(CC(c2c1cc(o2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659803	457.391	ZVLIOAPVRSHGQO-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-140424
CC(OC(=O)C1=CN(CC(c2c1occ2C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659793	457.391	GFJNTBDQZPJKEP-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-140425
CC(OC(=O)C1=CN(CC(c2c1oc(c2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659805	457.391	VIIIUSZPGXKHAV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-140426
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)cc1F	PC-id_121358882,BindingDB-id_731696,SCHEMBL17777955	457.394	CRDQIXVDWOEIOZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140427
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)c(F)c1	PC-id_121350826,BindingDB-id_731682,SCHEMBL17768391	457.394	SDRQTRCULCAQLG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140428
CC(NC(=O)C1=CN(CC(c2c1oc(n2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659623	457.394	RGTLOJMXPRTMGE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140429
Brc1cccc(c1)CS(=O)(=O)C(C(=O)Nc1nc2c(s1)CCCCC2)C	EMOLS-id_27431753,PC-id_42960853,MCULE-3758980642	457.405	GZESDTLVAMQVSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140430
Brc1ccc(S(=O)(=O)C(C(=O)Nc2sc3CCCCCc3n2)(C)C)cc1	PC-id_56371052	457.405	QFWMSKBJIMKEQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140431
c1ccc2-c(nnc2C(=O)NC(CCO)c2nc(no2)c2ccc(cc2)C(CF)(F)F)cc1	PC-id_137313433	457.405	NTQXFVKDANIOPH-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-140432
C[C@@H](C(=O)Nc1nc2c(s1)CCCCC2)S(=O)(=O)Cc1cccc(Br)c1	ZINC22_32744075,CoCoCo_4885394,GD-id_ZINC32744075,PC-id_39967737	457.405	GZESDTLVAMQVSG-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140433
C[C@H](C(=O)Nc1nc2c(s1)CCCCC2)S(=O)(=O)Cc1cccc(Br)c1	ZINC22_32744076,CoCoCo_4885393,PC-id_39967738	457.405	GZESDTLVAMQVSG-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140434
OCCC(c1onc(n1)c1ccc(cc1)C(CF)(F)F)NC(=O)c1n[nH]c2=CC=CC=C=c12	SCHEMBL19835652	457.405	HVKPHXCYMRKXKK-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-140435
Brc1cn(nc1)CCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_20176915	457.408	FHEFXHAUCMVPHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140436
O=C(Nc1ccccc1)c1c(/N=C/c2cccc(Cl)c2Cl)sc2c1CCCCCC2	ZINC22_408973094	457.415	YSFUNIAEGMLZKL-JFLMPSFJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140437
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Cl)cc2Cl)sc2c1CCCCCC2	ZINC22_408970730	457.415	CRDLURBOAABUMI-JFLMPSFJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140438
Fc1ccc(COC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1F	PC-id_118394490,SCHEMBL17112919,BindingDB-id_913879	457.433	OZUABKOZBSZYGF-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-140439
Clc1cc(CNC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_19649433	457.437	NLWBVVFJVPSNQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140440
Clc1cc(CNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1Cl	PC-id_19649426	457.437	VGXNYCXHJOVGCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140441
Clc1c(CNC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_19649631	457.437	XJHZEPKTHCFUFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140442
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_20409862	457.437	CTECBSPCWWFUHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140443
Clc1c(CNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_19649624	457.437	XMBZERUGVFXCCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140444
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc(Cl)c1	PC-id_20409817	457.437	LYWREOHYDSHDKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140445
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cccc1Cl	PC-id_20409647	457.437	BDDBKPXXRFOSQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140446
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_20409697	457.437	SBFLXVAMERURSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140447
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc(Cl)cc1	PC-id_20409762	457.437	VMJDQBPPPMVTHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140448
FC(F)(F)c1cccc(CC(=O)N2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c1	ZINC22_14889036,EMOLS-id_232717108,MCULE-5016266044,CoCoCo_1216933,PC-id_26282821	457.448	PKTSHOAWQSTVDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140449
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])C(=O)OC	PC-id_2629394	457.456	RDYSSJMJZZTIKW-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-140450
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)c2c(C1=O)ccc([N+](=O)[O-])c2)C(=O)OC	PC-id_2689479	457.456	NKAKBQIVQZCGEK-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-140451
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OC)C#N	PC-id_5038143	457.456	HWJMKEFAXBKRMP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140452
CCOc1cccc(CN2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)c1O	PC-id_28390573,EMOLS-id_20432293,CoCoCo_1175725,CoCoCo_1175726,ZINC22_19837107,MCULE-4534546255	457.473	NSCYSLWYNXFUCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140453
COc1cccc(c1O)CN1CCc2n(CC1)c(nn2)C(NC(=O)c1cc(F)ccc1F)C	PC-id_45166370,ChEMBL-DNDi_CHEMBL28951798	457.473	NURWFMIAWCOZGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140454
COc1cc(O)ccc1CN1CCn2c(CC1)nnc2C(NC(=O)c1cc(F)ccc1F)C	ChEMBL-DNDi_CHEMBL35592685,PC-id_45166548	457.473	BUVASUQUJFUDRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140455
O(C(=O)c1c2-c(c(c1N(C(=O)C)C(=O)C)C(=O)OCC)ccc(cc2)CC(=O)OCC)CC	PC-id_9868704	457.473	DKUUDXAURNGTSJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-140456
CCOC(=O)c1c(N)c(c2-c1ccc(cc2)CC(=O)NOC(=O)N1CCCC1)C(=O)OCC	PC-id_23296727,SCHEMBL8165450	457.476	SEVGLTGNJRXOST-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-140457
CC(C(C(=O)NC1CCc2nnoc2CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730375,SCHEMBL21109529	457.48	RNIWTNJEPIHVCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140458
O=C(NC(C(=O)NC1Cc2nnoc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110701,PC-id_138731499	457.48	DQAXNFSTMNHHTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140459
O=C(NC(C(=O)NC1Cc2onnc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731044,SCHEMBL21110202	457.48	DOONNNKNGZAGEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140460
O=C(NC(C(=O)NC1CCc2onnc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110169,PC-id_138731011	457.48	OJNHBIHMSDWTIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140461
CCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NC(=O)NC(=O)Nc2oc(C1CC)nn2	SCHEMBL18652931,PC-id_137084523	457.483	IECPAJRMJQBWNJ-MLCCFXAWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140462
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3ccc(cc3)C(F)(F)F)CCn12	PC-id_45207097,EMOLS-id_20559595,MCULE-5971430573	457.491	MDENEVTWHNDIHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140463
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccccc3C(F)(F)F)CCn12	ZINC22_20995270,CoCoCo_1342886,EMOLS-id_20549525,CoCoCo_1342885,MCULE-1300372473,PC-id_29255727	457.491	ZWMHPJDOFUCHDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140464
Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2	ZINC22_20999368,PC-id_29258657,CoCoCo_1357889,CoCoCo_1357890	457.491	MDENEVTWHNDIHI-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140465
Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2	ZINC22_20999369,CoCoCo_1357891,PC-id_29258658,CoCoCo_1357892	457.491	MDENEVTWHNDIHI-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140466
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C=Cc1cc2OCOc2cc1)C(=O)OC	PC-id_4695630	457.496	UCCKMGVUROFAIN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-140467
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCC2OCCC2)cc1	PC-id_46049549	457.498	XNHMHPZFYSAWCR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140468
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCC2OCCC2)C)cc1	PC-id_46049509	457.498	HEQMEVCNIFMDAQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140469
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NCC2OCCC2)C)cc1	PC-id_46049521	457.498	MMDPUQYIEKWQMT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140470
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)NC[C@@H]1CCCO1	PC-id_93332222	457.498	HEQMEVCNIFMDAQ-YJBOKZPZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140471
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)NC[C@@H]1CCCO1	PC-id_93332223	457.498	HEQMEVCNIFMDAQ-QAPCUYQASA-N	00000010100000110101000000000010000000000000000000000000	31-01-140472
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)NC[C@H]1CCCO1	PC-id_93332224	457.498	HEQMEVCNIFMDAQ-MAUKXSAKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140473
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)NC[C@H]1CCCO1	PC-id_93332225	457.498	HEQMEVCNIFMDAQ-CRAIPNDOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140474
CCOC(=O)c1c(sc2c1CCCCC2)/N=C(/c1[n+]([nH]oc1=O)c1ccc(cc1)OC)[O-]	PC-id_136120517	457.5	QTYYLYDRGJCUIJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140475
COc1ccc(cc1)[n+]1c(c(=O)o[nH]1)/C(=N/c1c(c2c(s1)CCCCCC2)C(=O)OC)/[O-]	PC-id_136120523	457.5	ZVECRZJICLZHJK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140476
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc2OCOc2cc1)C(=O)OCC	PC-id_19659056	457.5	RPOZQFYNZNAQIX-FOKLQQMPSA-N	00000010100000100101000000001010000000000000000000000000	31-01-140477
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc2OCOc2cc1)C(=O)OCC	PC-id_73633552	457.5	RPOZQFYNZNAQIX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-140478
COCCOCCOC(=O)NC(C(=O)NC1Cc2nnc(s2)CNC(=O)C1=O)C(C)C	PC-id_138730981,SCHEMBL21110139	457.501	BPBQFHYBGWQWBL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140479
COC(=O)c1c(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)sc2c1CCCCC2	PC-id_2659069,CoCoCo_3020741,MCULE-4356017461,ZINC22_3542225,EMOLS-id_3411806	457.503	IESOXKWUQHATQE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140480
CS(=O)OCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL19658888	457.506	SECRTJNARSUDGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140481
Fc1ccc(cc1)S(=O)(=O)NC(=O)CCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	PC-id_139608183	457.514	QWQGYMHONGVZQT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-140482
s1c2CCCCCc2cc1C(=O)NNC(=O)CCNS(=O)(=O)c1cc(F)c(F)cc1	PC-id_24554142	457.515	GDRCUTLPPVHRFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140483
CC(C)(C)OC(=O)NC(CC=CC1CCCCc2noc(=O)n12)(Cc1ccccc1)C(=O)O	PC-id_88180650	457.519	FTPIPHODIFURKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140484
CC(C)(C)OC(=O)NC(CC=CC1CCCCc2noc(=O)n12)C(=O)OCc1ccccc1	PC-id_88180648	457.519	BQWVRGKLKRGZIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140485
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOC(N1CCCC1)C	SCHEMBL8165645,PC-id_54170919	457.519	OUYTXKKAQSOIKK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-140486
CCOC(=O)c1ccc(cc1)NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCC2	GD-id_ZINC02182423,PC-id_1818444	457.519	LXYBVRZTHQQCSN-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-140487
O1C(C(O)C(O)C(OC(=O)CCc2c3-c(cc(C(C)C)cc2)c(cc3)C)C1OC)CN=[N+]=[N-]	PC-id_73065671	457.519	BCPOTMHDRAPVKD-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-140488
O1[C@@H]([C@@H](O)[C@H](O)[C@H](OC(=O)CCc2c3-c(cc(C(C)C)cc2)c(cc3)C)[C@H]1OC)CN=[N+]=[N-]	PC-id_11698236	457.519	BCPOTMHDRAPVKD-AZKGINQHSA-N	00000010100010000110000000000010000000000000000000000000	31-01-140489
o1nc2n(C(CCCC2)C(=CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)Cc2ccccc2)c1=O	PC-id_70153997	457.519	YODCTDOOPUGGMC-OYKVQYDMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140490
o1nc2n(C(CCCC2)C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)c1=O	SCHEMBL7652324,PC-id_59055360	457.519	BQWVRGKLKRGZIR-GGYWPGCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-140491
o1nc2n(C(CCCC2)C=CC[C@](NC(=O)OC(C)(C)C)(Cc2ccccc2)C(=O)O)c1=O	PC-id_70154001,SCHEMBL7652329	457.519	FTPIPHODIFURKE-LUTIACGYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140492
CCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1cccc(c2)C(C)C	CHEMBL352515,PC-id_10412396	469.593	NTQRZIHFWKPGGD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144465
o1nc2n(C(CCCC2)/C=C/CC(NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)c1=O	PC-id_18387497	457.519	BQWVRGKLKRGZIR-UKTHLTGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140493
o1nc2n(C(CCCC2)C(=CCC(NC(=O)OC(C)(C)C)C(=O)O)Cc2ccccc2)c1=O	PC-id_77785742	457.519	YODCTDOOPUGGMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140494
O=C(OC(C)(C)C)N[C@H](C(=O)OCc1ccccc1)C/C=CC1CCCCc2n1c(=O)on2	SCHEMBL7652318	457.519	BQWVRGKLKRGZIR-ASTSTKIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140495
O=C(OC(C)(C)C)N[C@H](C(=O)O)C/C=C(C1CCCCc2n1c(=O)on2)/Cc1ccccc1	SCHEMBL7652322	457.519	YODCTDOOPUGGMC-UIMWJCIWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140496
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3nnc4n3CCCCC4)c2)cc1F	EMOLS-id_13546891,MCULE-9297192312,ZINC22_12548470,CoCoCo_4561656,PC-id_17472882	457.521	QMPWLOGBDLMJDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140497
S(=O)(=O)(Nc1ccc(F)cc1)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55501354	457.521	WPHLOTODWASOFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140498
S(=O)(=O)(Nc1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1)c1ccc(F)cc1	PC-id_55488002	457.521	JSVZEXXDFKWELT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140499
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)/c/1=C/c1ccc(F)cc1)c1ccccc1	PC-id_2309330	457.523	JINFFZSIIDWNHL-BBMOIHPLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140500
s1c(=C(c2n3CCCCCc3nn2)C#N)n(c(=O)c1=Cc1ccc(F)cc1)c1ccccc1	PC-id_3883543	457.523	JINFFZSIIDWNHL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140501
Cc1ccc(cc1)C(=O)N1CC(=O)N(c2c(C1)[nH]nc2)Cc1ccc(cc1)C(=O)N1CCCC1	PC-id_142131420	457.524	AJRXENYOMFGLAA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140502
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)Cc1cccc(c1)Oc1ccccc1	MCULE-4688538043,PC-id_28389229,CoCoCo_1171175,EMOLS-id_20428979,CoCoCo_1171176,ZINC22_19836037	457.524	SAMDAVCKAIVPBC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-140503
O(c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1OCC(=O)Nc1ccccc1)CC	PC-id_27115474	457.524	IKMYIFYBOOIOLV-HMMYKYKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140504
O(c1cc(C=C(c2n3CCCCCc3nn2)C#N)ccc1OCC(=O)Nc1ccccc1)CC	PC-id_74519857	457.524	IKMYIFYBOOIOLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140505
O=C1N(CCc2ccccc2)C(=O)c2c1cc(C(=O)NCCc1n3CCCCCc3nn1)cc2	PC-id_55534822	457.524	CPZKVGLDRGFVRK-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-140506
O=C(N1C(CCC1)C(=O)Nc1ccccc1)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_42855056	457.524	ZDHPHCHPZZBEJK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140507
O=C(NCCc1n2CCCCCc2nn1)Cc1ccc(NC(=O)c2oc3c(c2)cccc3)cc1	PC-id_56024562	457.524	LFRRRPZXHISJFL-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-140508
[P+](CCCC1n2c(noc2=O)CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_60066788	457.524	FPFKDCVFTQKWJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140509
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)COc1cc2CCCc2cc1)C(=O)OC	PC-id_3412699	457.539	QULYQHVQDNMNBC-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-140510
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(c1)CC)c(OC)cccc2	PC-id_10095629	457.539	LJKPAGAVDBHGIR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-140511
CCC(C)NC(=O)CCN(CC)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	PC-id_46049827,MCULE-8237456231,EMOLS-id_25387674	457.541	FROPZDSWWRSUKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140512
CC[C@H](NC(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)CC)C	PC-id_93332392	457.541	FROPZDSWWRSUKZ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140513
CC[C@@H](NC(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)CC)C	PC-id_93332393	457.541	FROPZDSWWRSUKZ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140514
CCN(CC)C(=O)CCN(CC)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	EMOLS-id_25387074,PC-id_46049541,MCULE-7843329378	457.541	KYKPQMXVUMEHGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140515
CCN(CCC(=O)NCC(C)C)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-6772230976,PC-id_46049825,EMOLS-id_25388474	457.541	MZWYQXQGUIIOPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140516
COC(=O)c1cc(c2-c1ccccc2)C(=C1C=[N+](c2c1cccc2)C)c1cn(c2c1cccc2)C	PC-id_101170556	457.542	LXNJCSAAZABBGF-UHFFFAOYSA-N	00000011100000100110000001101010000000000000000000000000	31-01-140517
c1(NC(=O)C(=O)NN=Cc2ccc(cc2)OCC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-3086033792,PC-id_1865974	457.543	BPPOZWNTDRVDPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140518
c1(NC(=O)C(=O)NN=C(C)c2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)OCC	PC-id_5025370,ChEMBL-DNDi_CHEMBL1501909,MCULE-9897916473	457.543	HWDHSWJZBUGTCI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140519
CCOc1ccc(cc1)/C=N/NC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2	STOCK4S-63526,PC-id_6246057,EMOLS-id_26346146	457.543	BPPOZWNTDRVDPS-ZVHZXABRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140520
CCOC(=O)c1c(NC(=O)C(=O)N/N=C(/c2ccc(cc2)OC)C)sc2c1CCCCC2	EMOLS-id_26347236,PC-id_6251010,STOCK4S-67268	457.543	HWDHSWJZBUGTCI-AFUMVMLFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140521
CCOC(=O)C(C(=O)OCC)(Cc1ccccc1)CCCCn1cnc2c1NC=[NH+]C[C@H]2O	GD-id_ZINC13807827	457.543	QMTBJIKALBZZFN-LJQANCHMSA-O	00000000100000110111000000000010000000000000000000000000	31-01-140522
COC(=O)c1c(NC(=O)COC(=O)c2cccnc2N2CCCC2)sc2c1CCCCC2	ZINC22_12684913,EMOLS-id_43929778,PC-id_17553260,CoCoCo_3956477,MCULE-1017803727	457.543	KXBOIMCCSZHHTK-UHFFFAOYSA-N	00000010100000101100100000000010000000000000000000000000	31-01-140523
O=C(NC(C(=O)NC1Cc2ccc(s2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110163,PC-id_138731005	457.543	XKVIAHRVLVAZDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140524
OC(=O)CCc1c(/C=C/2C(=O)Nc3c2cc(cc3)S(=O)(=O)N(C)C)[nH]c2c1CCCCC2	SCHEMBL6696417,PC-id_60113761	457.543	OZCIJNJDFSNHRR-AQTBWJFISA-N	00000010100000100100000000001010000000000000000000000000	31-01-140525
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CN(C(=O)C1)c1cc(OC)c(OC)cc1	PC-id_55566678	457.543	IBZPWPKCOZGQQQ-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-140526
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)OC(C)C)C)C#N	PC-id_30203411	457.543	JWPWGBMISILYIX-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-140527
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1[nH]c(c(c1C)C(=O)OC)CC)C)C#N	PC-id_55421737	457.543	NNEWWNOLOGGPKZ-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-140528
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(c1ccc(OC)cc1)/C)C(=O)OCC	PC-id_6390980	457.543	HWDHSWJZBUGTCI-QFEZKATASA-N	00000000100000110100000000000010000000000000000000000000	31-01-140529
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OCC)cccc1)C(=O)OCC	PC-id_19661474	457.543	OXIBGXXGULKCJC-ZVHZXABRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140530
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1c(OCC)cccc1)C(=O)OCC	PC-id_73635906	457.543	OXIBGXXGULKCJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140531
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1[nH]c2c(c1)cc(OC)c(OC)c2OC	PC-id_43065111	457.543	ZXORVUONTUWROT-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-140532
s1c2CCCCCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1ccc([N+](=O)[O-])cc1	PC-id_45655408	457.543	WNZIRDBJSYSSQS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140533
S(=O)(=O)(N(C)C)c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)O)C(=O)Nc2cc1	PC-id_72651846	457.543	OZCIJNJDFSNHRR-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-140534
c1(NC(=O)CCC(=O)N2CCN(CC2)c2ccc(cc2)N(=O)=O)sc2c(CCCCC2)n1	EMOLS-id_334802249,MCULE-3853905066	457.546	LDOHHWBCUSALIR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140535
S(c1n2CCCCCc2nn1)CC1=C(C(NC(=O)N1)c1ccc(OC)cc1)C(=O)OCC	PC-id_24371245	457.546	FQUASZKKSXETTF-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-140536
S(=O)(=O)(NCc1occc1)c1cc(C(=O)NCCc2n3CCCCCc3nn2)c(cc1)C	PC-id_55554676	457.546	DVGDYXJQEILNTP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-140537
o1c(c2cc(C[NH+]3CCn4c(nnc4CNC(=O)CCc4cccnc4)CC3)ccc2)ccc1	PC-id_42370373	457.547	OWZQSWFFVGOYLE-UHFFFAOYSA-O	00000000101000111101100000000010000000000000000000000000	31-01-140538
[O-]C(=O)CC(c1ccc2c(c1C)nnn2C)c1ccc(c(c1)CN1CCCn2c(C1)cnc2)C	PC-id_140880646	457.547	VTYSGIATLIASAI-UHFFFAOYSA-M	00000000100000110101000001000010000000000000000000000000	31-01-140539
Fc1ccc(cc1)NS(=O)(=O)CCCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	PC-id_139608178	457.558	SBUWOUMIAOLNNA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-140540
O=C1N(CCCCCCc2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)C(=O)c2c1cccc2	PC-id_10366856	457.561	DWIGIZFRXNASFZ-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-140541
O=C1N(CCCCCCc2c3-c(c(c2)C(=O)OC)cc(C(C)C)ccc3)C(=O)c2c1cccc2	PC-id_9981539	457.561	KDDBBMUBDRMADJ-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-140542
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1	PC-id_24409820	457.561	YZURAHUUMDUFFH-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140543
S(=O)(=O)(N1C(C(c2c(scc2)CC1)Cc1ccccc1)C(=O)O)c1ccc(OC)cc1	PC-id_54309527	457.562	SJXUGQVLUPUTIE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140544
Cc1c(ccc(c1)c1nn(c(c1)CCCOC)CC(=O)N1CCc2c(CC1)sc(n2)N)F	SCHEMBL15002057,PC-id_89607968	457.564	RAQKITNNYNALFQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140545
CC(C[C@H](c1nnc2n1CCN(CC2)C(=O)/C=C/c1ccc(cc1)F)NC(=O)C[NH+](C)C)C	GD-id_ZINC11816108,PC-id_42192937	457.564	RAOVJTJSXCVYOQ-JRMCHAMMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140546
CC(C[C@H](c1nnc2n1CCN(CC2)C(=O)/C(=C/c1ccccc1)/F)NC(=O)C[NH+](C)C)C	GD-id_ZINC12329091	457.564	AWQBTNUVMIIDMF-RMWKRFJVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140547
Fc1ccc(/C=C/C(=O)N2CCn3c(nnc3CC2)[C@@H](NC(=O)C[NH+](C)C)CC(C)C)cc1	PC-id_42192941	457.564	RAOVJTJSXCVYOQ-OSICKASQSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140548
Fc1ccc(C=CC(=O)N2CCn3c(nnc3CC2)C(NC(=O)C[NH+](C)C)CC(C)C)cc1	PC-id_74777931	457.564	RAOVJTJSXCVYOQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140549
FC(=Cc1ccccc1)C(=O)N1CCn2c(nnc2CC1)[C@H](NC(=O)C[NH+](C)C)CC(C)C	PC-id_42539170	457.564	AWQBTNUVMIIDMF-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140550
FC(=Cc1ccccc1)C(=O)N1CCn2c(nnc2CC1)[C@@H](NC(=O)C[NH+](C)C)CC(C)C	PC-id_42539174	457.564	AWQBTNUVMIIDMF-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140551
FC(=Cc1ccccc1)C(=O)N1CCn2c(nnc2CC1)C(NC(=O)C[NH+](C)C)CC(C)C	PC-id_74813661	457.564	AWQBTNUVMIIDMF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140552
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1ccc(cc1)OCCCNC1Cc2c(C1)cccc2	SCHEMBL6094238,PC-id_21953148	457.564	YAZDDHTTYQXKOO-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-140553
c1(C(CC(C)C)NC(=O)CCOC)nnc2CCN(C(=O)Cc3ccc(cc3)OC)CCn12	PC-id_45202453,EMOLS-id_20539151,MCULE-4798327390	457.566	ASLHWWOMZONBOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140554
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3cccc(OC)c3OC)CCn12	EMOLS-id_20453337,PC-id_45182748,MCULE-9138707960	457.566	CVNXKNVBQUBKAG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140555
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccc(c(OC)c3)OC)CCn12	EMOLS-id_20586183,MCULE-6050577283,PC-id_45213292	457.566	BUFMTOITERSITF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140556
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3cc(OC)ccc3OC)CCn12	MCULE-1066925111,PC-id_45186016,EMOLS-id_20467301	457.566	MDTQFVFBVLEUBD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140557
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3cc(OC)cc(OC)c3)CCn12	EMOLS-id_20428857,PC-id_45177117,MCULE-4212599940	457.566	LBFBQQMBHZNKMY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140558
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(c(OCC)c3)OC)CCn12	PC-id_45208183,MCULE-5852572454,EMOLS-id_20564243	457.566	CDOJEKIELDKUCD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140559
c1(NC(=O)CSc2nnc(c3ccccc3)o2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_534436,EMOLS-id_2492678,ZINC22_2890920,MCULE-2724050303,PC-id_2243303	457.566	XYTFUHOSEJCBQY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140560
c1(NC(=O)CSc2nnc(c3cccc(C)c3)o2)sc2c(CCCCC2)c1C(=O)OC	ZINC22_9416824,PC-id_4602198,CoCoCo_4988381,EMOLS-id_5445965,MCULE-8417573195	457.566	HSAGRNKVOHMTPA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140561
CCOc1cccc(c1O)CN1CCc2n(CC1)c(nn2)C(C(C)C)NC(=O)C1COCC1	ChEMBL-DNDi_CHEMBL48817022	457.566	YIWOVMPXWBLAMP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140562
CCOc1cc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)ccc1OC	PC-id_31015871,CoCoCo_1364626,ZINC22_23337653,CoCoCo_1364625	457.566	CDOJEKIELDKUCD-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140563
CCOc1cc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)ccc1OC	ZINC22_23337655,CoCoCo_1364628,PC-id_31015873,CoCoCo_1364627	457.566	CDOJEKIELDKUCD-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140564
COc1cccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1OC	CoCoCo_1204907,CoCoCo_1204909,ZINC22_14882739,PC-id_26278630	457.566	CVNXKNVBQUBKAG-WIYYLYMNSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140565
CCCCCCCCCCCCOC(=O)C1CCCCn2c1ccc2C(=O)c1ccccc1F	SCHEMBL11201615,PC-id_20483940	469.631	BOJNRRQRJBKEMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144522
COc1cccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1OC	CoCoCo_1204908,CoCoCo_1204906,ZINC22_257371906	457.566	CVNXKNVBQUBKAG-GHTZIAJQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140566
COc1cccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1OC	CoCoCo_1204911,CoCoCo_1204913,PC-id_26278628,ZINC22_14882738	457.566	CVNXKNVBQUBKAG-NQIIRXRSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140567
COc1cccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1OC	CoCoCo_1204912,CoCoCo_1204910,ZINC22_257371907	457.566	CVNXKNVBQUBKAG-RXVVDRJESA-N	00000010100000110101000000000010000000000000000000000000	31-01-140568
COc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1OC	CoCoCo_1397688,ZINC22_104424605,CoCoCo_1397689,PC-id_98581517	457.566	BUFMTOITERSITF-PGRDOPGGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140569
COc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1OC	CoCoCo_1397691,ZINC22_14996230,PC-id_26351879,CoCoCo_1397690	457.566	BUFMTOITERSITF-XMSQKQJNSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140570
COc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1OC	CoCoCo_1397694,PC-id_26351875,ZINC22_14996228,CoCoCo_1397695	457.566	BUFMTOITERSITF-GCJKJVERSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140571
COc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1OC	ZINC22_104424611,CoCoCo_1397692,PC-id_98581519,CoCoCo_1397693	457.566	BUFMTOITERSITF-AVRDEDQJSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140572
COc1cc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc(OC)c1	CoCoCo_1171042,ZINC22_257371842,CoCoCo_1171041	457.566	LBFBQQMBHZNKMY-PGRDOPGGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140573
COc1cc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc(OC)c1	CoCoCo_1171044,CoCoCo_1171043,ZINC22_11788650	457.566	LBFBQQMBHZNKMY-XMSQKQJNSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140574
COc1cc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc(OC)c1	CoCoCo_1171045,CoCoCo_1171046,ZINC22_257371841	457.566	LBFBQQMBHZNKMY-AVRDEDQJSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140575
COc1cc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc(OC)c1	CoCoCo_1171047,CoCoCo_1171048,ZINC22_11788649	457.566	LBFBQQMBHZNKMY-GCJKJVERSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140576
COc1ccc(OC)c(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1	CoCoCo_1224433,CoCoCo_1224435,ZINC22_11783878	457.566	MDTQFVFBVLEUBD-VGOFRKELSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140577
COc1ccc(OC)c(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_11783877,CoCoCo_1224439,CoCoCo_1224437	457.566	MDTQFVFBVLEUBD-VGSWGCGISA-N	00000010100000110101000000000010000000000000000000000000	31-01-140578
COc1ccc(OC)c(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_257372106,CoCoCo_1224432,CoCoCo_1224434	457.566	MDTQFVFBVLEUBD-HTAPYJJXSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140579
COc1ccc(OC)c(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1	ZINC22_257372107,CoCoCo_1224436,CoCoCo_1224438	457.566	MDTQFVFBVLEUBD-JTSKRJEESA-N	00000010100000110101000000000010000000000000000000000000	31-01-140580
COCCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)Cc1ccc(OC)cc1)CC2	ZINC22_12159665,CoCoCo_1327909,PC-id_42436556	457.566	ASLHWWOMZONBOB-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140581
COCCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C(=O)Cc1ccc(OC)cc1)CC2	ZINC22_12159671,PC-id_42436560,CoCoCo_1327910	457.566	ASLHWWOMZONBOB-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140582
O1CCC(N(CCOc2cc(CNC(=O)Cn3nc4n(CCCCC4)c3=O)ccc2)C)CC1	PC-id_56485239	457.566	IIKAOHJXLNQLOC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140583
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Cc1ccccc1)C	PC-id_75036156	457.566	MESWQEBVROHANN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140584
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)Cc1ccccc1)C	CHEBI:112512,PC-id_44488692	457.566	GMDADKPJAYHJFG-KNKQGSTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140585
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)Cc1ccccc1)C	CHEBI:112543,PC-id_44486353	457.566	GMDADKPJAYHJFG-NNMXDRDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-140586
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)Cc1ccccc1)C	CHEBI:95580,PC-id_44486958	457.566	GMDADKPJAYHJFG-JQVVWYNYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140587
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)Cc1ccccc1)C	CHEBI:96350,PC-id_44485060	457.566	GMDADKPJAYHJFG-DXIQSLLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140588
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)Cc1ccccc1)C	CHEBI:96565,PC-id_44486959	457.566	GMDADKPJAYHJFG-CNNODRBYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140589
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)Cc1ccccc1)C	CHEBI:96625,PC-id_44485748	457.566	GMDADKPJAYHJFG-WOIUINJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140590
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)Cc1ccccc1)C	PC-id_44487412,CHEBI:95775	457.566	GMDADKPJAYHJFG-XQBPLPMBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140591
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)Cc1ccccc1)C	SCHEMBL17487101,CHEBI:96156,PC-id_44488693	457.566	GMDADKPJAYHJFG-IPJJNNNSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140592
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Cc1ccccc1)C	CHEBI:112531,PC-id_44505992	457.566	MESWQEBVROHANN-IPJJNNNSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140593
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Cc1ccccc1)C	CHEBI:112606,PC-id_44505396	457.566	MESWQEBVROHANN-CNNODRBYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140594
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Cc1ccccc1)C	CHEBI:96471,PC-id_44498543	457.566	MESWQEBVROHANN-KNKQGSTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140595
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Cc1ccccc1)C	CHEBI:96772,PC-id_44504986	457.566	MESWQEBVROHANN-JQVVWYNYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140596
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Cc1ccccc1)C	CHEBI:96868,PC-id_44504988	457.566	MESWQEBVROHANN-WOIUINJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140597
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Cc1ccccc1)C	PC-id_44504994,CHEBI:96732	457.566	MESWQEBVROHANN-XQBPLPMBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140598
S1CC(CSc2sc(=S)sc12)(COCOCCOC)COCOCCOC	PC-id_10766906	474.699	VXAYCQVWTYQOJP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146013
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Cc1ccccc1)C	PC-id_44505181,CHEBI:96890	457.566	MESWQEBVROHANN-DXIQSLLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140599
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Cc1ccccc1)C	PC-id_44505192,CHEBI:112614	457.566	MESWQEBVROHANN-NNMXDRDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-140600
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OCc2ncsc2)cc1	PC-id_37722396	457.566	QYAFGBNEXMTGON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140601
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1N(CCC1)C(=O)c1sccc1)C#N	PC-id_45701638	457.566	ZHLGEJJRLCOXRZ-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-140602
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@H]1N(CCC1)C(=O)c1sccc1)C#N	PC-id_51580951	457.566	ZHLGEJJRLCOXRZ-INIZCTEOSA-N	00000010100100000100000000000010000000000000000000000000	31-01-140603
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@@H]1N(CCC1)C(=O)c1sccc1)C#N	PC-id_51916828	457.566	ZHLGEJJRLCOXRZ-MRXNPFEDSA-N	00000010100100000100000000000010000000000000000000000000	31-01-140604
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(cc1)C)C(=O)OC	PC-id_4052102	457.566	CLQSCBSSIFHVPY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140605
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1c(cccc1)C)C(=O)OC	PC-id_4683364	457.566	XXBKDKZQLNRFHX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140606
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)Cc1ccccc1)C(=O)OC	PC-id_4524953	457.566	POSFFQILPVAXIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140607
s1c2CCCCCc2nc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1	PC-id_24611794	457.566	VPCCKNSFQMJTEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140608
s1c2CCCCCc2nc1NC(=O)c1ccc(S(=O)(=O)Nc2c(OC)cccc2)cc1	PC-id_30217110	457.566	CZFYFGHQGHRVDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140609
c12C(=O)N(CCCn1nc(C(=O)N1CCN(CC1)c1cc(C)ccc1C)c2)Cc1ccccc1	EMOLS-id_32632752,PC-id_53034481,MCULE-7793596980	457.567	OZAWZXKLEYDGKT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140610
n12CCN(CCc1nnc2CNC(=O)c1ccccc1)C(=O)C(C1CCCC1)c1ccccc1	PC-id_45247608,EMOLS-id_20728827,MCULE-7688808953	457.567	VZESOZUZCROHSU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140611
N#CC1=Nc2c(CC=C1C)cc(n2CC(C)(C)C)CN1C(=O)CN(CC1=O)Cc1ccccc1	PC-id_142217378	457.567	BXGJDVPGGWBTQH-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-140612
O=C(NC1CCN(CC1)Cc1ccccc1)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_50798100	457.567	TXXCGFOMTFZSKS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140613
O=C(NCc1nnc2n1CCN(C(=O)[C@@H](c1ccccc1)C1CCCC1)CC2)c1ccccc1	CoCoCo_1614837,PC-id_26358653,ZINC22_15002815	457.567	VZESOZUZCROHSU-VWLOTQADSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140614
O=C(NCc1nnc2n1CCN(C(=O)[C@H](c1ccccc1)C1CCCC1)CC2)c1ccccc1	CoCoCo_1614838,PC-id_26358650,ZINC22_15002812	457.567	VZESOZUZCROHSU-RUZDIDTESA-N	00000010100000110101000000000010000000000000000000000000	31-01-140615
c1(NC(=O)CSc2nnnn2c2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2496301532,CoCoCo_818512,EMOLS-id_684384,SPECS-id_AF-399/15128440,PC-id_1632518,TIMTEC565404,ZINC22_1895225	457.569	YCNXYAVZVDZDGR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140616
o1nc(nc1CCC(=O)NCCc1n2CCCCCc2nn1)C1(NC(=O)C)CCCCCC1	PC-id_56023292	457.569	NKWODJAOWVZAAD-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-140617
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1c(n[nH]c1=S)c1ccc(OC)cc1	PC-id_24554124	457.569	CFTYYZHTXREDHT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140618
s1c2c(CCCCC2)c(c1NC(=O)CCSc1n(nnn1)c1ccccc1)C(=O)OC	PC-id_23945462	457.569	OCWIXDGGZZIRLS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140619
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cccnc1)C)C(=O)OC	PC-id_20126779	457.569	GVQZHFMFWYUUQN-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-140620
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ncccc1)C)C(=O)OC	PC-id_20126995	457.569	IXVXTZOLGKRZBI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-140621
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1n(nnn1)c1ccccc1)C)C(=O)OC	PC-id_23858716	457.569	OQWVBIFAZXWIKY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140622
O=C(Nc1sc2c(c1C)CCC(C2)C)NCc1c2CCCNCc2sc1C(F)(F)F	PC-id_138564979,SCHEMBL20922564	457.576	QTQUPFVKVNMTII-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-140623
Cc1nc2c(o1)CC/C(=CCCN(C(=NC(=C)c1ccc(c(c1)C)F)c1ccccc1)C)/CC2	PC-id_145589121	457.582	XDPGQZNDDRMDEL-UIYQLPEPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140624
c1(c2CCCCCc2sc1NC(=O)CN1CCOCC1)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_2785818,MCULE-7467360550,ZINC22_22635492,PC-id_3740540,CoCoCo_6724251	457.586	PNIRZMKVVJTPPX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140625
c1(NC(=O)CCC(=O)NCc2ccc(cc2)C(=O)OCCCC)sc2c(CCCCC2)n1	MCULE-7049057248,EMOLS-id_335146846	457.586	PPLZCCPKSOZUKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140626
CC(CC(N1C(=O)C2C(C1=O)CC=CC2)C(=O)NNC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_257852723,PC-id_24554071,MCULE-4720797035	457.586	FOZIMAIJXPDQJW-UHFFFAOYSA-N	00000010100011000100000000000110000000000000000000000000	31-01-140627
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@H](N1C(=O)[C@H]2[C@@H](C1=O)CC=CC2)CC(C)C	PC-id_51613989	457.586	FOZIMAIJXPDQJW-FGTMMUONSA-N	00000010100011000100000000000110000000000000000000000000	31-01-140628
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](N1C(=O)[C@H]2[C@@H](C1=O)CC=CC2)CC(C)C	PC-id_51613990	457.586	FOZIMAIJXPDQJW-KSZLIROESA-N	00000010100011000100000000000110000000000000000000000000	31-01-140629
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(OC)cc1)C(=O)OC	PC-id_2483052	457.586	DQLVMSZHTHTMSS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140630
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(OC)ccc1)C(=O)OC	PC-id_2698440	457.586	OVMZUNATCRWJRJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140631
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(OC)cccc1)C(=O)OC	PC-id_2685040	457.586	GHFTZQWXGGMAAB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140632
s1c2CCCCCc2nc1NC(=O)c1cc(OCC)c(OCC(=O)N2CCCCC2)cc1	PC-id_46696577	457.586	DSYVBZDWSZSXSW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140633
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1cc(S(=O)(=O)NC)ccc1	PC-id_56224643	457.587	WHBNWZBPTNSEHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140634
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(C(=O)CSc3ccccc3)CCn12	PC-id_45198685,ChEMBL-DNDi_CHEMBL32514340,EMOLS-id_20522837,MCULE-1731559805	457.589	YHDJZCQRBCEUJP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140635
CC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C#N	MCULE-1323581464,EMOLS-id_4950619,PC-id_5043894	457.609	CTIBQJNASBXXFC-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140654
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)CSc1ccccc1)CC2	CoCoCo_1304525,PC-id_42368131,ZINC22_12036935	457.589	YHDJZCQRBCEUJP-UWJYYQICSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140636
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)CSc1ccccc1)CC2	PC-id_42368113,ZINC22_12036920,CoCoCo_1304527	457.589	YHDJZCQRBCEUJP-DYESRHJHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140637
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)CSc1ccccc1)CC2	PC-id_42368116,ZINC22_12036923,CoCoCo_1304528	457.589	YHDJZCQRBCEUJP-UTKZUKDTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140638
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)CSc1ccccc1)CC2	PC-id_42368124,ZINC22_12036930,CoCoCo_1304526	457.589	YHDJZCQRBCEUJP-LAUBAEHRSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140639
COC(=O)c1c(C)sc2c1C(=O)N(CCCCN1CCN(CC1)c1ncccn1)CCC2	PC-id_19881053,SCHEMBL9039393	457.589	XFZPFMKNCGSTQD-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-140640
N#Cc1c(NC(=O)COC(=O)CSc2nc3ccccc3s2)sc2c1CCCCC2	EMOLS-id_43770858,CoCoCo_3063767,ZINC22_9441261,PC-id_4845400,MCULE-8897216423	457.589	DCASPNCLZNECOX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140641
O=C(NC(c1n2CCN(CCc2nn1)Cc1cc(OCC)c(O)cc1)C)C1CC[NH+](CC1)C	PC-id_74568040	457.589	SJOKABSMBKOOLB-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-140642
O=C(NCc1nnc2n1CCCCC2)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	MCULE-3516735259,CoCoCo_4336670,PC-id_17484344,ZINC22_12847939,EMOLS-id_15266250	457.589	VXLKSIGVYNUGCL-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-140643
O=C(N[C@@H](c1n2CCN(CCc2nn1)Cc1cc(OCC)c(O)cc1)C)C1CC[NH+](CC1)C	PC-id_28739272	457.589	SJOKABSMBKOOLB-QGZVFWFLSA-O	00000000100010110101000000000010000000000000000000000000	31-01-140644
O=C(N[C@H](c1n2CCN(CCc2nn1)Cc1cc(OCC)c(O)cc1)C)C1CC[NH+](CC1)C	PC-id_28739275	457.589	SJOKABSMBKOOLB-KRWDZBQOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-140645
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(cccc1)/C=N/NC(=O)N	PC-id_43904256	457.589	DPVDHTHRMOXXOP-MFKUBSTISA-N	00000000100000110101000000000010000000000000000000000000	31-01-140646
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(cccc1)C=NNC(=O)N	PC-id_74905996	457.589	DPVDHTHRMOXXOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140647
s1c2CCCCCc2c(c1NC(=O)Cn1c(=O)c2sc(=S)n(c2nc1)CC=C)C#N	PC-id_38981584	457.592	IIULZZVDZJWFID-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140648
s1c2CCCCCc2nc1NC(=O)C(NS(=O)(=O)c1c(F)cccc1)CCSC	PC-id_55507217	457.606	BMCDCTDVOCBXQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140649
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(CC3CCCCC3)CCn12	EMOLS-id_20604171,MCULE-6026343495,PC-id_45217583	457.609	FZCHSMGGGUDCMT-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-140650
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)sc2c(CCCCC2)c1C#N	ZINC22_2659821,CoCoCo_3268401,MCULE-6612476309,EMOLS-id_3233185,PC-id_2123643	457.609	GNHKZVQVHDSXIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140651
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)sc2c(CCCCC2)c1C#N	ZINC22_11126907,MCULE-4388903143,PC-id_41831268,EMOLS-id_30139985	457.609	YFKREFIMQNPJMC-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140652
c1(NC(=S)Nc2ccc(cc2)C(=O)N2CCCC2)sc2c(CCCCC2)c1C(=O)OC	Chemmine_19355,MCULE-5470863499,EMOLS-id_2318873,TIMTEC364853,PC-id_2211636,ZINC22_2858325,CoCoCo_1002237	457.609	OSTFJHQLQASQLW-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-140653
CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C#N	EMOLS-id_4950617,PC-id_16798596,MCULE-9253524876	457.609	JBIADQFHKGYEMK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140655
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC22_12140077,PC-id_42427912,CoCoCo_5026009	457.609	CTIBQJNASBXXFC-MRXNPFEDSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140656
C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC22_12140078,CoCoCo_5026010,PC-id_42427913	457.609	CTIBQJNASBXXFC-INIZCTEOSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140657
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)C1	CoCoCo_5026007,PC-id_42427910,ZINC22_12140075	457.609	JBIADQFHKGYEMK-MRXNPFEDSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140658
C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)C1	ZINC22_12140076,PC-id_42427911,CoCoCo_5026008	457.609	JBIADQFHKGYEMK-INIZCTEOSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140659
CN(C1CCCC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C#N	MCULE-1617829692,CoCoCo_5183177,PC-id_16800185,EMOLS-id_5615098,ZINC22_10220632	457.609	INEQDUIDSSOJFF-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-140660
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(CC2CCCCC2)CC3)o1	PC-id_42430796,CoCoCo_1424415,ZINC22_12150621,CoCoCo_1424414	457.609	FZCHSMGGGUDCMT-NRFANRHFSA-N	00000000101010000101000000000010000000000000000000000000	31-01-140661
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(CC2CCCCC2)CC3)o1	PC-id_42430798,CoCoCo_1424413,ZINC22_12150622,CoCoCo_1424412	457.609	FZCHSMGGGUDCMT-OAQYLSRUSA-N	00000000101010000101000000000010000000000000000000000000	31-01-140662
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(c(c(c2c1N)C)C)C)C(=O)OCC	PC-id_23970094	457.609	GWSUHWKLEIMIJG-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140663
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(CCC)ccc2c1N)C(=O)OCC	PC-id_23942201	457.609	OMYMHRSAOUTFFL-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140664
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(C(C)C)ccc2c1N)C(=O)OCC	PC-id_23970102	457.609	NQRXFFYVTQZIEY-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140665
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(CC(C)C)ccc2c1N)C(=O)OC	PC-id_23970104	457.609	IRDBPGXWZULHMF-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140666
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(CCCC)ccc2c1N)C(=O)OC	PC-id_23997900	457.609	DIWUFKKNZSJTRY-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140667
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(c(c(c1C#N)C)C)C)C(=O)OC	PC-id_23889454	457.609	PGVITOASSCGTTL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-140668
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(cc(c1C#N)C)C)C(=O)OCC	PC-id_23973453	457.609	LBIRYKCLHDHOKD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-140669
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(CCC)ccc1C#N)C(=O)OC	PC-id_23804423	457.609	SMNZHPGTSKHHGJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-140670
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(C(C)C)ccc1C#N)C(=O)OC	PC-id_24084200	457.609	NJRLKVQMQQNGEE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-140671
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(c(c(c2c1N)C)C)C)C(=O)OC	PC-id_24080929	457.609	OGFBGKURFZXWPF-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140672
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(cc(c2c1N)C)C)C(=O)OCC	PC-id_24135283	457.609	KBTRDCQJTFRLOD-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140673
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(CCC)ccc2c1N)C(=O)OC	PC-id_23742917	457.609	HLTOYCRLMHHXSD-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140674
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(C(C)C)ccc2c1N)C(=O)OC	PC-id_24025747	457.609	CICSKDZIIUSBND-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-140675
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(cc(c1C#N)C)C)C(=O)OC	PC-id_24138473	457.609	KRHIQSLOTBYXLR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-140676
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(ccc1C#N)C)C(=O)OCC	PC-id_23746209	457.609	DAMZQODQNVOJJE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-140677
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[nH]c2c(n1)cccc2)C(=O)OCC	PC-id_24029060	457.609	KCVDQMDEQABIEW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140678
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[nH]c2c(n1)cccc2)C)C(=O)OCC	PC-id_23801625	457.609	ZQGIVEGSBMFXOR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140679
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[nH]c2c(n1)ccc(c2)C)C(=O)OCC	PC-id_3388111	457.609	ANSXSEIETJUDGN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140680
S(=O)(=O)(N1CCC(CC1)C)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_23791488	457.609	VHQSXRRJBFIUSL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140681
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccc(cc1)C	PC-id_16829172	457.609	LYQMWPLPWSXVQW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140682
O=S(=O)(c1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)cc1)N1CCCCC1	ZINC22_9386471,CoCoCo_3697597,MCULE-9341223895,PC-id_17418352	457.612	JFSQTUSVNQUDML-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140683
S(c1n(c(nn1)C1CC1)CC1OCCC1)CC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_19726612	457.612	QVEIRNZJWMOREH-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-140684
C1CN(CCN1)CCN=C1c2nn(cc2NC[C@H](N1)Cc1ccccc1)CCc1ccccc1	SCHEMBL3466754,PC-id_135858175	457.614	KKFWXGHUJUUTEA-XMMPIXPASA-N	00000000100010110101000000000010000000000000000000000000	31-01-140685
C1CN(CCN1)CCN=C1c2nn(cc2NCC(N1)Cc1ccccc1)CCc1ccccc1	PC-id_136376684,SCHEMBL3468843	457.614	KKFWXGHUJUUTEA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140686
c1(c2CCCCCCCCCCc2sc1NC(=O)COc1ccccc1)C(=O)OC(C)C	ZINC22_2103196,CoCoCo_5831322,SPECS-id_AK-968/40729148,MCULE-3025950015,TIMTEC108993,PC-id_1758412,EMOLS-id_4143194	457.625	CTGOKBANHSDWNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140687
c1(NC(=O)c2cccc(OCCC)c2)sc2c(CCCCCCCCCC2)c1C(=O)OC	CoCoCo_5824693,PC-id_4420667,ZINC22_8443980,SPECS-id_AK-968/13779259,TIMTEC312197,EMOLS-id_4143188,MCULE-5997094472	457.625	MLZSPZNHEJDZQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140688
c1(NC(=O)COc2ccc(c(C)c2)C)sc2c(CCCCCCCCCC2)c1C(=O)OC	TIMTEC377200,SPECS-id_AK-968/41017192,EMOLS-id_4143192,CoCoCo_5807342,ZINC22_2789173,PC-id_5069869,MCULE-2430782883	457.625	PGKUMHHTJGRSSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140689
s1c2c(CCCCCCCCCC2)c(c1NC(=O)C(Oc1ccccc1)C)C(=O)OCC	PC-id_4863651	457.625	OWYPLOUQCNEKJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140690
O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_17442665,CoCoCo_4491001,ZINC22_14093564,MCULE-2822052300,EMOLS-id_13454288	457.632	MROWQWDKLQZENW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140691
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(SCc2ncsc2)cccc1	PC-id_30887410	457.632	ZUMQVIXWGZLGEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140692
s1c2CCCCCCc2c(c1NC(=O)CSc1sc2c(n1)ccc(OCC)c2)C#N	PC-id_24083707	457.632	JGGGYBRDYVHHEO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140693
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)c1ccc(N(C)C)cc1	PC-id_30377091	457.632	FDVFUGBAPIILNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140694
s1c(C(=O)N2CC[NH+](CC2)CC2=NC(=O)C3C(=N2)SC(=C3C)C)cc2c1CCCCC2	PC-id_74752574	457.632	IAECNDWINFLVGQ-UHFFFAOYSA-O	00000011100011000101000000000110000000000000000000000000	31-01-140695
s1c(C(=O)N2CC[NH+](CC2)Cc2[nH]c(=O)c3c(sc(c3C)C)n2)cc2c1CCCCC2	PC-id_41213971	457.632	NLFYHHUOTPTTRL-UHFFFAOYSA-O	00000000100010100101000001000010000000000000000000000000	31-01-140696
C[C@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4178405,ZINC22_9727947,PC-id_41189041	457.635	SLDSHVJELXFHEH-ZDUSSCGKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-140697
C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41189044,ZINC22_9727951,CoCoCo_4178404	457.635	SLDSHVJELXFHEH-CYBMUJFWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-140698
CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1cccs1	PC-id_25719550,ZINC22_13127322,CoCoCo_4173512	457.635	VQNMHSMVRBJMQR-ZDUSSCGKSA-N	00000000100100000101100000000010000000000000000000000000	31-01-140699
CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1cccs1	ZINC22_13127325,CoCoCo_4173513,PC-id_25719555	457.635	VQNMHSMVRBJMQR-CYBMUJFWSA-N	00000000100100000101100000000010000000000000000000000000	31-01-140700
N#Cc1c(NC(=O)C(Sc2nnc(n2CC)c2cccs2)C)sc2c1CCCCC2	MCULE-4960057993,PC-id_16333555,EMOLS-id_11772613	457.635	VQNMHSMVRBJMQR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-140701
N#Cc1c(NC(=O)C(Sc2nnc(n2C)Cc2cccs2)C)sc2c1CCCCC2	MCULE-7319794054,PC-id_16328738,EMOLS-id_11765057	457.635	SLDSHVJELXFHEH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-140702
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(CCc2sccc2)cnn1)C)C#N	PC-id_24579568	457.635	KPAVOBBVCMCWSK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-140703
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1sccc1)C#N	PC-id_19725671	457.635	AVVGLPQYVPIDJB-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-140704
s1c2CCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1sccc1)C#N	PC-id_19725816	457.635	KCIXFHYVVCGFHT-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-140705
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC)C#N	PC-id_19717709	457.635	WSPHVYJQWQKMHB-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-140706
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)C)C#N	PC-id_19718440	457.635	IUJLKYQETCODRY-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-140707
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)C)C#N	PC-id_19720734	457.635	GKMAJMXTNPBFRD-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-140708
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)CC)C#N	PC-id_20127532	457.635	KXOOZXODFQUSNT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-140709
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)c1sccc1)C#N	PC-id_19725497	457.635	GNYKRPAWTMRULQ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-140710
CCCCC1(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)COc2c(OC1)csc2	PC-id_102334788	458.382	WSKUEOLVWUAXIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140805
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)C)C#N	PC-id_19717588	457.635	FDCXDVCSEJDBAH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-140711
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)C)C#N	PC-id_20127485	457.635	IFTSTNPMADVJSM-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-140712
N#Cc1c(NC(=O)[C@H]([N@@H+]2CC[C@H](CC2)C(=O)N2CCCCCC2)C)sc2c1CCCCC2	PC-id_41147453,GD-id_ZINC09620415	457.652	BASUNHSVRJORTO-GOSISDBHSA-O	00000000100010000100000000000010000000000000000000000000	31-01-140713
O=C(N(C1CCCCC1)C)CSc1ccccc1C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112807863	457.652	BSFAQTPTZLRVEA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140714
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCC(CC1)C(=O)N1CC(CCC1)C)C#N	PC-id_74676700	457.652	WKJRIOSJXHPRNS-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-140715
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCC(CC1)C(=O)N1CCCCCC1)C#N	PC-id_29613890	457.652	SKAWMIMQOCHGSI-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-140716
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCC(CC1)C(=O)N1C[C@@H](CCC1)C)C#N	PC-id_40165180	457.652	WKJRIOSJXHPRNS-GOSISDBHSA-O	00000000100010000100000000000010000000000000000000000000	31-01-140717
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCC(CC1)C(=O)N1C[C@H](CCC1)C)C#N	PC-id_40165184	457.652	WKJRIOSJXHPRNS-SFHVURJKSA-O	00000000100010000100000000000010000000000000000000000000	31-01-140718
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(c(ccc1)C)C)C(=O)OC	PC-id_19655114	457.652	DIIPIVYWFSHFQP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140719
s1c2c(CCCCC2)c(c1NC(=S)N1CC(N(CC1)c1ccc(cc1)C)C)C(=O)OC	PC-id_19655346	457.652	YMZUFANBTDYGEQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140720
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccc(cc1)C)C(=O)OC	PC-id_20175346	457.652	ODCVHSYGEWYWAI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140721
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(cccc1)C)C(=O)OC	PC-id_20175601	457.652	ZISYDHHHYCCNQD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140722
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccccc1)C(=O)OCC	PC-id_19654227	457.652	QJKNWSHLZXPTAK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140723
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(CN2CCCCC2)cc1)C(=O)OC	PC-id_20170963	457.652	CQCXBWUGZAGWCQ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140724
s1c2c(CCCCC2)c(c1NC(=S)NC1CCN(CC1)Cc1ccccc1)C(=O)OC	PC-id_19654259	457.652	YDWWUCWZTSBUHS-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140725
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccccc1)C(=O)OCC	PC-id_19654372	457.652	CKISHGJCQRRQOK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140726
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccccc1)C(=O)OC	PC-id_19654222	457.652	CKNOBIDTRNCYBO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140727
s1c(NC(=O)[C@@H]([NH+]2CCC(CC2)C(=O)N2CCCCCC2)C)c(c2c1CCCCC2)C#N	PC-id_41147450	457.652	BASUNHSVRJORTO-SFHVURJKSA-O	00000000100010000100000000000010000000000000000000000000	31-01-140728
s1c(NC(=O)C([NH+]2CCC(CC2)C(=O)N2CCCCCC2)C)c(c2c1CCCCC2)C#N	PC-id_74749604	457.652	BASUNHSVRJORTO-UHFFFAOYSA-O	00000000100010000100000000000010000000000000000000000000	31-01-140729
s1c2c(CCCCCC2)c(c1NC(=O)CSc1snc(SC)n1)C(=O)OCC	PC-id_3353981	457.654	BFUYWAOCQVNDRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140730
S(=O)(=O)(N1CCSCC1)c1c(scc1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56147932	457.654	HOIYFFJRHNSQLS-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-140731
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)CC)C#N	PC-id_17304000	457.655	RYAVMUTYIQBWME-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-140732
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)C)C#N	PC-id_20125768	457.655	IKCYVPUOICORFM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-140733
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)CC)C#N	PC-id_17262415	457.655	MISOKUJXSWWRJN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-140734
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)C)C#N	PC-id_20128364	457.655	MQFUFWOYCAEHBC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-140735
s1c2CC(C(CC)(C)C)CCc2c(c1NC(=O)CSc1n2CCCCCc2nn1)C#N	PC-id_24371212	457.655	XFQNTHISEKODCI-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-140736
S1C(SCCC1)c1ccc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_46449507	457.655	UJKBAQSOEXLLAN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140737
N#Cc1c(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)sc2c1CCCCC2	EMOLS-id_43679784,MCULE-8400299965,ZINC22_3294889,PC-id_2410466,CoCoCo_2787128	457.758	TZPPBBVRKHRMHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140738
O=C(N1CCc2c(CC1)n(nc2C)C(=O)c1c(Cl)cccc1C(F)(F)F)OC(C)(C)C	PC-id_145138641	457.874	LEWBPRYRZLQUDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140739
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc(F)c(F)c1	PC-id_3438722	457.875	FPTVSXDOHGQPTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140740
Fc1cccc(c1)C(=O)NCc1nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	ChEMBL-DNDi_CHEMBL14691370,PC-id_28312417,ZINC22_19744354,EMOLS-id_232707755,MCULE-9215238037	457.885	FXAVNXXYRAOUJL-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-140741
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	CoCoCo_1343523,PC-id_29255899,CoCoCo_1343522,ZINC22_20995498,EMOLS-id_20549955,MCULE-2754310240	457.91	GTDJCELWOPCPQI-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-140742
Clc1c(NC(C(C)C)C(=O)NCCc2n3CCCCCc3nn2)ccc(c1)C(F)(F)F	PC-id_75908176	457.92	FQARRVAXUXQOFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140743
Clc1c(N[C@@H](C(C)C)C(=O)NCCc2n3CCCCCc3nn2)ccc(c1)C(F)(F)F	PC-id_52716424	457.92	FQARRVAXUXQOFW-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-140744
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3c(F)cccc3Cl)CCn12	ZINC22_14963922,CoCoCo_1450788,CoCoCo_1450789,PC-id_26324224,MCULE-6292361060,EMOLS-id_20621831	457.928	SXSPUGSLMAKRRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140745
Clc1ccc(Sc2c(C(=O)NCc3n4CCCCCc4nn3)cc([N+](=O)[O-])cc2)cc1	PC-id_24646555	457.933	NAYUDKWJDXOBOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140746
CCCN(c1cc(ccc1C)C(=O)OCC1=C(C)C(=O)c2c(CC1=O)cc(o2)C)CCCl	PC-id_141972437	457.947	VPYSRVRSVHTGIN-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-140747
Clc1c(c([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)c1)C	PC-id_24464575	457.951	KHUCNCYSMWKWMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140748
C1C=Cc2c(C#C1)oc(c2)S(=O)(=O)Nc1cc(cnc1SCc1cc(ccc1)N)Cl	SCHEMBL20374504,PC-id_135218574	457.953	MZZNVFVYCYOVPI-UHFFFAOYSA-N	00000000100000111110000000000010000000000000000000000000	31-01-140749
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(o3)c3cccc(Cl)c3)CCn12	MCULE-6394649398,EMOLS-id_20458609,PC-id_45183974	457.953	CIZSQZRIGKOAAO-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-140750
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(c3cccc(Cl)c3)o1)CC2	CoCoCo_1212278,CoCoCo_1212277,ZINC22_14886224	457.953	CIZSQZRIGKOAAO-MRXNPFEDSA-N	00000000101000110101100000000010000000000000000000000000	31-01-140751
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(c3cccc(Cl)c3)o1)CC2	CoCoCo_1212279,ZINC22_14886222,CoCoCo_1212280	457.953	CIZSQZRIGKOAAO-INIZCTEOSA-N	00000000101000110101100000000010000000000000000000000000	31-01-140752
Cl/C(=Cc1ccccc1)/CN1CCc2nnc(CNS(=O)(=O)c3ccccc3)n2CC1	CoCoCo_1198935,ZINC22_14881276,CoCoCo_1198933,EMOLS-id_44851647	457.976	IDQLFPOIJFDBQW-CYVLTUHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140753
Cl/C(=C/c1ccccc1)/CN1CCn2c(CC1)nnc2CNS(=O)(=O)c1ccccc1	CoCoCo_1198932,CoCoCo_1198934	457.976	IDQLFPOIJFDBQW-XDJHFCHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140754
S(=O)(=O)(c1ccccc1)NCc1nnc2CCN(CC(=Cc3ccccc3)Cl)CCn12	MCULE-6670538731,PC-id_26276849	457.976	IDQLFPOIJFDBQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140755
Clc1c(NC(=O)CCSc2n3CCCCCc3nn2)cc(S(=O)(=O)N(C)C)cc1	PC-id_30764323	457.998	VOYWTUUTMOZAIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140756
Clc1c(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cccc1	PC-id_19728082	457.999	OIVYIPVCMOKBIQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140757
Clc1cc(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)ccc1	PC-id_19728384	457.999	QLFJGUWYFCHPHA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140758
Clc1cc(n2c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nnc2)ccc1C	PC-id_24372262	457.999	GKVSEHAFNNRZKT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140759
Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccc(Cl)cc1	CoCoCo_2823195,MCULE-4235413083,EMOLS-id_43690628,PC-id_4202693,ZINC22_12565545	457.999	FZLBOQLHYVBQQS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140760
CCCCc1cc2n(c1C(=O)c1cccc(c1)Cl)CCCCC2C(=O)OCCCCCC	PC-id_70535922,SCHEMBL11200834	458.033	LWAYLRPIWYREQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140761
Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)Cn2cc3CCCCCCc3n2)CC1	PC-id_20892503,CoCoCo_2192350,CoCoCo_2192349,MCULE-8720858331,EMOLS-id_16087351	458.039	GDVGBTNXBDMWFR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140762
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)C(C#CC4CC4)O	PC-id_155062097	458.106	LQPGNUDGXYTERB-TZHYSIJRSA-N	00100000100000110101000000000010000000000000000000000000	31-01-140763
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)C(C#CC4CC4)O	PC-id_155258022	458.106	LQPGNUDGXYTERB-BHWOMJMDSA-N	00100000100000110101000000000010000000000000000000000000	31-01-140764
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)CC#CC4COC4	PC-id_154682090	458.106	JHGOSPJZBNLTSJ-INIZCTEOSA-N	00001000100000110101000000000010000000000000000000000000	31-01-140765
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)CC#CC4COC4	PC-id_154682244	458.106	JHGOSPJZBNLTSJ-MRXNPFEDSA-N	00001000100000110101000000000010000000000000000000000000	31-01-140766
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@@H](C#CC4CC4)O	PC-id_154682163	458.106	LQPGNUDGXYTERB-IAGOWNOFSA-N	00100000100000110101000000000010000000000000000000000000	31-01-140767
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@H](C#CC4CC4)O	PC-id_154682224	458.106	LQPGNUDGXYTERB-SJORKVTESA-N	00100000100000110101000000000010000000000000000000000000	31-01-140768
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)[C@H](C#CC4CC4)O	PC-id_155257974	458.106	LQPGNUDGXYTERB-IRXDYDNUSA-N	00100000100000110101000000000010000000000000000000000000	31-01-140769
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2=O)C(C#CC4COC4)O	PC-id_154682032	458.106	OUWYUNXSJWQVMU-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-140770
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)C(C#CC4CC4)O	PC-id_154682193	458.106	LQPGNUDGXYTERB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-140771
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)CC#CC4COC4	PC-id_154682064	458.106	JHGOSPJZBNLTSJ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-140772
Br/C(=C(\n1nnc2c1CCCCCC2)/c1ccccc1)/I	CT-id_7111641,PC-id_101516796,7111641_OpenMolecule	458.135	MQOWBWCYPVYUDK-FOCLMDBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140773
CC1CC=C(C=CC2=C1SC(=N2)NC3=NC(=NC(=C3)C(C4=CC=C(C=C4)F)(F)F)C)OC	PC-id_149326483	458.139	YBLXBTZZWQECBP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140774
CC(C)C(C(=O)CC1C(=O)C(=O)NCC2=NN=C(O2)S1)NC(=O)OCCOCCOC	PC-id_148054859	458.147	JHBPIPWYABXFDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140775
Brc1cc(CC2c3nc([nH]c3CCN(C2=O)C)N)cc(Br)c1OC	PC-id_59822245,SCHEMBL14019697	458.148	WZYSUDTUGMQMIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140776
Brc1cc(CC2c3nc([nH]c3CCNC2=O)NC)cc(Br)c1OC	PC-id_42643035,SCHEMBL7598337	458.148	HHJAXUCIQGAICD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140777
Cc1cc(Br)c(NC(=O)Cn2nc3n(c2=O)CCCCC3)c(Br)c1	MCULE-3985110215,ZINC22_11049501,CoCoCo_4447326,PC-id_17535983,EMOLS-id_16784215	458.148	LDPSATWWAFQOFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140778
CC(C)C(C(=O)CC1CC2=NN=C(S2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_146907803	458.162	AARYUNBUXBXXTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140779
CC(C)C(C(=O)CC1CCC2=C(CNC(=O)C1=O)SN=N2)NC(=O)OCC3=CC=CC=C3	PC-id_146895762	458.162	UAGYPMWBUFJQPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140780
C1CCOC2=C(C=NN2C1)S(=NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(=O)N	PC-id_161263573	458.178	IFBKIUMWOFDWIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140781
CC1=C2C(=C(N1)C(=O)NC3=C(C=CC(=C3)S(=O)N4CCN(CC4)C)OC)CCCCC2=O	PC-id_154950584	458.199	ICYGULIFPBYFLS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140782
Brc1cc(/C=C/CN2CCc3sc(nc3CC2)N)cc(Br)c1N	PC-id_19985846,SCHEMBL7285489	458.214	YQDWKKBZYBSCBI-OWOJBTEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140783
Brc1cc(C=CCN2CCc3sc(nc3CC2)N)cc(Br)c1N	PC-id_54521517	458.214	YQDWKKBZYBSCBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140784
C1CC(CCC1CCN2CCC3=C(CC2)SC(=N3)OCC(F)(F)F)CC(=O)CC4CC4	PC-id_147185561	458.221	CAKGGXPQGGZNQV-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-140785
Ic1c(C(=O)NNC(=O)c2sc3CCCCCc3c2)ccc(F)c1	PC-id_40394291	458.289	DUIVCGMCNJERAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140786
Brc1cc(Oc2ncc(NC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)ccc1	PC-id_56318151	458.308	LYEJPXBFOGNLPT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140787
Ic1c(C(=O)Nc2sc3CCCCCc3n2)cc(OC)c(OC)c1	PC-id_56345777	458.314	SFDKAUSBJVYNSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140788
Ic1c(n(nc1)C)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)N	PC-id_4768931,CoCoCo_6578765	458.317	SXVWYAVXOGZBID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140789
CCCS(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1CCC(C=N2)Br)F	PC-id_143385072	458.32	QCIIIQHVMXUOIN-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-140790
N#Cc1c(NC(=O)CN2C(=O)C(=O)c3c(Br)cccc23)sc2c1CCCCC2	ZINC22_12584685,MCULE-8493877475,EMOLS-id_11822461,CoCoCo_4406351,PC-id_16371398	458.328	MZCLWOOXBDYLKU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-140791
Ic1cc(CN2CCN(CC2)c2c(OC)cccc2)c2-c1ccccc2	PC-id_71497629	458.335	LAOQDPODHTVQOJ-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-140792
CC(C)(C)C(CNC(=O)C1=C2CN(CCCN2C(=N1)/C=C/CN3CCCCC3)C)C(=O)NC	PC-id_153644592	458.337	OEMCMLNQTNLABG-PKNBQFBNSA-N	00000000100010000101000000000010000000000000000000000000	31-01-140793
Brc1c2sc(CSCCCCCCCCCSC2)c1Br	PC-id_11798108	458.338	QENASPRHOHBEOO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140794
Clc1cc(C(=O)Nc2ccc(C(=O)NCc3n4CCCCCc4nn3)cc2)cc(Cl)c1	PC-id_60441248	458.34	GHEJKUOETHVQHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140795
Brc1ccc(C(=O)Cn2nc([n+]3c2CCCCC3)NCc2ccc(F)cc2)cc1	PC-id_4479154	458.347	IPXXVQDGBFHCIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140796
[n+]1(CC(=O)c2ccc(Br)cc2)c2CCCCCn2c(CNc2ccc(F)cc2)n1	GD-id_ZINC27525258,PC-id_34882991,ZINC22_27525258,MCULE-8256287178,CoCoCo_6269031	458.347	DFPUCIWFJSILFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140797
C1Cn2cc(nc2OCCN1CC(=O)NNC(=O)c1ccc(cc1)OC(F)(F)F)[N+](=O)[O-]	PC-id_89579844,SCHEMBL14965365	458.349	QWRVJUYEJSNERZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140798
O=C(NCc1nnc2n1CCCCC2)c1cccnc1Sc1ccc(Br)cc1	EMOLS-id_17157047,ZINC22_12747953,CoCoCo_3865688,MCULE-8364652868,PC-id_24231186	458.375	IXMRQYYFSIUGLX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140799
CC(OC(=O)C1=CN(CC(c2c1c(no2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659625	458.379	BEGLXEQAYRABEW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140800
CC(OC(=O)C1=CN(CC(c2c1nc(o2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659620	458.379	DELCSKOKIFBUFR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140801
CC(OC(=O)C1=CN(CC(c2c1oc(n2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659621	458.379	ZXOADSBWDIOZAQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140802
CC(OC(=O)C1=CN(CC(c2c1onc2C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659948	458.379	MOFXPRHYDVOTCK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140803
CC(CC1(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)COc2c(OC1)csc2)C	PC-id_122223597	458.382	UBLSVTJCVUZXBP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140804
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)CC)C(=O)Nc1ccc(c(Cl)c1)Cl	PC-id_4752526,ZINC22_16769736,MCULE-3358268348	458.384	BJHPSOXSPAHVIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140806
CCc1ccc(cc1)N(Cc1nnc2CCCCCn12)C(=O)Nc1ccc(Cl)c(Cl)c1	PC-id_1512171,MCULE-3511096505,TIMTEC276176,CoCoCo_6191649,EMOLS-id_6818862,ZINC22_1432706	458.384	KXQRYANSDSBPKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140807
CCc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	MCULE-9860505996,PC-id_16458756,CoCoCo_6601589,ZINC22_28527781	458.384	CRHVCGZVKRIJJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140808
c1(sc2c(CCCCCC2)c1C(=O)OC)NS(=O)(=O)c1ccc(cc1)Br	CoCoCo_5824439,EMOLS-id_4143482,MCULE-5832232131,TIMTEC133648,SPECS-id_AK-968/15253408,PC-id_1012238,ZINC22_673104	458.39	DUVPHVZAPWYYMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140809
Brc1c(S(=O)(=O)NCCC(=O)Nc2sc3CCCCCc3n2)cccc1	PC-id_24611814	458.393	FSXLOBIGXGKEEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140810
CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2nc3c(s2)CCCCC3)c1	ZINC22_12785365,MCULE-9985162295,EMOLS-id_16746684,PC-id_17524514,CoCoCo_4546176	458.393	XZMXNCBTNMOPFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140811
O=C(c1cc(c2-c1ccccc2)C(=O)Nc1ccc(cc1)[N+](=O)O)Nc1ccc(cc1)[N+](=O)O	PC-id_102473710	458.423	XMYFRVKDHOCWDO-UHFFFAOYSA-P	00000010100000110110000000000010000000000000000000000000	31-01-140812
CCCCCCCCCCCCn1c(Br)c2c(c1C(=O)OCC)OCCCO2	PC-id_102291095	458.43	QHSUZHVMQVUSOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140813
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CCC(NS2=O)C(C(F)(F)F)(O)C	SCHEMBL21337291,PC-id_139471292	458.43	HOLCSRGDNQJCKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140814
O=C(c1[nH+]c(c2-c1ccccc2)C(=O)N1C[C@@H]2C[C@H]1CO2)NC(C(F)(F)F)c1cccc[nH+]1	PC-id_143722108	458.433	FPWIDRHVKKBKGY-JWDIZXQDSA-P	00000010100000101110000000000110000000000000000000000000	31-01-140815
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(c(c1C(=O)N)C)C(=O)OC	PC-id_19523656	458.455	LRQFLIQNSUUJGL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-140816
Brc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)OC(C)(C)C	PC-id_141676546	458.456	WFHJTINYHBTIMY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-140817
FC(F)(F)c1ccccc1CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	CoCoCo_1292606,EMOLS-id_20514705,PC-id_29151607,MCULE-1299008868,ZINC22_20779773,CoCoCo_1292607	458.479	XSBPLIAQYXVDFR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140818
O=C(CCc1cccnc1)NCc1nnc2n1CCN(CC2)Cc1cccc(c1)C(F)(F)F	ChEMBL-DNDi_CHEMBL21863027	458.479	FEWKRDNALVYOQZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140819
COc1cccc(c1O)C[N@@H+]1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1cc(F)ccc1F)C	GD-id_ZINC11909088	458.481	NURWFMIAWCOZGH-CQSZACIVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140820
COc1cccc(c1O)C[N@H+]1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1cc(F)ccc1F)C	GD-id_ZINC11909089	458.481	NURWFMIAWCOZGH-AWEZNQCLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140821
COc1cc(O)ccc1C[N@H+]1CCn2c(CC1)nnc2[C@@H](NC(=O)c1cc(F)ccc1F)C	GD-id_ZINC12022952	458.481	BUVASUQUJFUDRM-AWEZNQCLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140822
Fc1c(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2c(O)c(OCC)ccc2)c(F)ccc1	PC-id_42369362	458.481	NSCYSLWYNXFUCF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140823
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1cc(F)c(F)cc1)C)C#N	PC-id_46583499	458.481	RABHRTCDQOFOMN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-140824
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1c(F)ccc(F)c1)C)C#N	PC-id_46583577	458.481	CXRAQDCSWIDPHI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-140825
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1c(F)ccc(F)c1)C)C#N	PC-id_52193266	458.481	CXRAQDCSWIDPHI-QFIPXVFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-140826
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1c(F)ccc(F)c1)C)C#N	PC-id_52193267	458.481	CXRAQDCSWIDPHI-JOCHJYFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-140827
COC(=O)c1noc2c1C(=O)C(=CC(=O)C2)SCCCCCNC(=O)Oc1ccccc1	PC-id_144380135	458.484	OCPRZTNFMSHRAR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140828
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCn1c2c(oc1=O)cc([N+](=O)[O-])cc2	PC-id_46656982	458.488	UDLUZLIKIYHKTQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140829
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(NCCO)ccc([N+](=O)[O-])c1)C#N	PC-id_24382305	458.488	FYJOXBSVJYRTNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140830
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_19661717	458.488	NTRQYUZEINNIOB-WSDLNYQXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140831
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1)C(=O)OCC	PC-id_73636145	458.488	NTRQYUZEINNIOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140832
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1c([N+](=O)[O-])cccc1)C(=O)OCC	PC-id_19659103	458.488	MEMKYWZTUGLSTP-WSDLNYQXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140833
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1c([N+](=O)[O-])cccc1)C(=O)OCC	PC-id_73633599	458.488	MEMKYWZTUGLSTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140834
C[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(cc1)C(F)(F)F)NC(=O)c1ccccc1C	GD-id_ZINC12027084,PC-id_42360646	458.499	MDENEVTWHNDIHI-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140835
FC(F)(F)c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(cccc3)C)C)CC2)cc1	PC-id_42360640	458.499	MDENEVTWHNDIHI-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140836
FC(F)(F)c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(cccc3)C)C)CC2)cc1	PC-id_74799122	458.499	MDENEVTWHNDIHI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-140837
S=C1NC(Cc2ccccc2)CN(c2c1nn(c2)CCc1ccccc1)C(=O)C(F)(F)F	SCHEMBL3467846,PC-id_75217745	458.499	XBXSDTYHCOTGOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140838
S=C1N[C@H](Cc2ccccc2)CN(c2c1nn(c2)CCc1ccccc1)C(=O)C(F)(F)F	SCHEMBL3467306,PC-id_46840590	458.499	XBXSDTYHCOTGOD-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140839
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1ccc(F)cc1)C)C(=O)OC	PC-id_19445334	458.503	CMWLYXJBQBUONH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140840
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1cc(F)ccc1)C)C(=O)OC	PC-id_19492571	458.503	OMWWFYAKMPRUHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140841
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1c(F)cccc1)C)C(=O)OC	PC-id_19490195	458.503	DOELCIYGXWCZCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140842
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)OC)OC	PC-id_19102895,SCHEMBL9335699	458.506	QZFVPRJUIAUEBP-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-140843
s1c2c(CCCCC2)c(c1NC(=O)c1[n+]([nH]oc1=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_53289731	458.507	QTYYLYDRGJCUIJ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-140844
s1c2c(CCCCCC2)c(c1NC(=O)c1[n+]([nH]oc1=O)c1ccc(OC)cc1)C(=O)OC	PC-id_53289745	458.507	ZVECRZJICLZHJK-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-140845
CCOC(=O)c1c(NCCNc2nc3-c(c2C(=O)OCC)ccccc3)nc2-c1ccccc2	PC-id_102076169	458.509	LTZUMXFNUGXTBE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-140846
COc1ccc(cc1)Cn1ncc2c1N(CCCN1C(=O)c3c(C1=O)cccc3)CCCC2=O	SCHEMBL18258722	458.509	QYZLOHHPYWONSQ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-140847
COc1cc(ccc1OCc1ccc(cc1)C(=O)OC)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3456417,CoCoCo_3456416,PC-id_75460358	458.509	LOHAVKDOPXBYRR-STZFKDTASA-N	00000000100000110101000000000010000000000000000000000000	31-01-140848
COc1cc(ccc1OCc1ccc(cc1)C(=O)OC)C=C(c1nnc2n1CCCCC2)C#N	PC-id_4347625,EMOLS-id_26092933,MCULE-2454614609	458.509	LOHAVKDOPXBYRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140849
COc1cc(ccc1OC(=O)COc1ccc(cc1)C)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3733887,PC-id_75459354	458.509	JFGRFCJSHZNNJQ-ZHZULCJRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140850
COc1cc(ccc1OC(=O)COc1ccc(cc1)C)C=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_26168124,PC-id_4215793,MCULE-9540643205	458.509	JFGRFCJSHZNNJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140851
COc1cc(ccc1OC(=O)COc1ccc(cc1)C)/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_6039079,CoCoCo_3733886	458.509	JFGRFCJSHZNNJQ-XSFVSMFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140852
O(c1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)Cc1ccc(cc1)C(=O)OC	PC-id_6075939	458.509	LOHAVKDOPXBYRR-KGENOOAVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140853
O(Cn1c2c(nc1N(C)C=O)C=CN(C(=O)/C/2=C/c1ccc(OC)cc1)C)Cc1ccccc1	PC-id_25215338	458.509	CEJRIXHWQBUGNW-PXLXIMEGSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140854
O(Cn1c2c(nc1N(C)C=O)C=CN(C(=O)C2=Cc1ccc(OC)cc1)C)Cc1ccccc1	PC-id_74432172	458.509	CEJRIXHWQBUGNW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-140855
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)NCCCN1CCOCC1)[N+](=O)[O-]	SCHEMBL14965324,PC-id_89579799	458.511	ZVVSDVZUJKTFDC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140856
COCCN1CCN(CC1)c1c(ccc(c1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])C=O	SCHEMBL14965981,PC-id_89580312	458.511	FVALMYAAYIBUQF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140857
COCCN1CCN(CC1)C(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965941,PC-id_89580286	458.511	BVVNAXGCHXPOCL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140858
Cc1[nH]nc2ncc(C(=O)N[C@@H]3CN(C(=O)c4cc5c([nH]4)CCCC5)Cc4nccn4C3)cc12	ZINC22_2332239595	458.516	WHXNUMZIFPQQSN-KRWDZBQOSA-N	00000000100010100101000001010010000000000000000000000000	31-01-140859
Cc1[nH]nc2ncc(C(=O)N[C@H]3CN(C(=O)c4cc5c([nH]4)CCCC5)Cc4nccn4C3)cc12	ZINC22_2332239596	458.516	WHXNUMZIFPQQSN-QGZVFWFLSA-N	00000000100010100101000001010010000000000000000000000000	31-01-140860
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C#N)ccc1Cl	PC-id_22198736	477.45	TZTBQDOTYGORGO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146663
O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1	EMOLS-id_3509923,ZINC22_9283966,CoCoCo_3356144,MCULE-1679740278,PC-id_4826536	458.518	RPNCWKAPDTWXJU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140861
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(OC(F)(F)F)cc1)C(=O)OCC	PC-id_19680349	458.518	PUYOBQANCLINSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140862
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(OC(F)(F)F)cc1)C(=O)OC	PC-id_19680343	458.518	SHHFRDOMVKNKNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140863
Cc1c(ncc(c1)C[n+]1nc2-c(c(cccc2)C(=C)[N-]CC(C)(C)CO)c1)CCC(F)(F)F	PC-id_137247879	458.519	HQTLSFHYGCUMNV-UHFFFAOYSA-N	00000010100000101111000000000010000000000000000000000000	31-01-140864
OCC(CNC(=C)C1=C=CC=Cc2c1cn(n2)Cc1cnc(c(c1)C)CCC(F)(F)F)(C)C	SCHEMBL19673309	458.519	XFPRFKKNQXLDRR-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-140865
c1(c2CCCCCc2sc1NC(=O)CCC(=O)O)C(=O)Nc1ccc(cc1)C(=O)OCC	EMOLS-id_2180625,ZINC22_2182423,CoCoCo_855573,SPECS-id_AP-064/40657034,ChEMBL-DNDi_CHEMBL1528317,PC-id_1818445,CHEMBL1528317,MCULE-2075529638	458.527	LXYBVRZTHQQCSN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140866
COC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2ccc(C)cc2)sc2c1CCCCC2	CoCoCo_2973292,EMOLS-id_43739520,PC-id_42006843,ZINC22_11510435,MCULE-1197401535	458.527	INIGHTLZFAZAJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140867
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(OC)c(OC)c(OC)c1)C)C#N	PC-id_55417576	458.527	DBRZKENHKGWJMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140868
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(OC)c(OC)c(OC)cc1)C)C#N	PC-id_55417623	458.527	GLGVQFLCFZPENR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140869
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1)C#N	PC-id_5021120	458.527	QNNFTTCYKJVMPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140870
s1c2CCCCCCc2cc1C(=O)OCc1oc(nn1)c1cc(OC)c(OC)c(OC)c1	PC-id_45655407	458.527	CIFHDKYCEMXIAD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140871
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)NCCN(CC)CC)cc1	PC-id_46049532	458.529	JYEDVKFAPFDDRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140872
N#Cc1c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)sc2c1CCCCC2	PC-id_2431638,EMOLS-id_3097255,ZINC22_3315916,MCULE-6577535029,CoCoCo_3030169	458.529	ORSSWZPSIGXJGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140873
c1(NC(=O)CCc2onc(c3cc(OC)c(c(OC)c3)OC)n2)sc2c(CCCCC2)n1	MCULE-2695840981,EMOLS-id_323250851	458.531	UUJXLPTUAFLVBH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-140874
CC(=O)Nc1nc2c(s1)C(=O)C(=C(c1cnc(cc1)N(C)C(=O)OC(C)(C)C)O)CCC2	PC-id_87289853	458.531	YBSXEUPODGVRFF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-140875
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)N(C(=O)OC(C)(C)C)C	SCHEMBL12649471,PC-id_88942087	458.531	YZTZSCNYVNCBCJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-140876
COc1cc(ccc1OC)CN1C(=O)N[C@H](C1=O)CC(=O)Nc1nc2c(s1)CCCCC2	MCULE-8035683989,STOCK7S-44350,ZINC22_96118287,PC-id_71828147,EMOLS-id_48570282	458.531	LGMHHZUFRLQOAN-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140877
COc1ccc(CN2C(=NC(CC(=O)/N=c/[nH]c4CCCCCc4s3)C2=O)O)cc1OC	EMOLS-id_50403136,PC-id_75357173,MCULE-9020472107	458.531	LGMHHZUFRLQOAN-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-140878
COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc4c(s3)CCCCC4)C2=O)cc1OC	PC-id_99871484,ZINC22_206256037	458.531	LGMHHZUFRLQOAN-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140879
O=C(NC(C(=O)NC1Cc2cnc(s2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730680,SCHEMBL21109837	458.531	BTASCXXBHJDFNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140880
O=C(NC(C(=O)NC1Cc2cnsc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731465,SCHEMBL21110657	458.531	MTTKXEKSUAKJLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140881
O=C(NC(C(=O)NC1Cc2ncc(s2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730440,SCHEMBL21109595	458.531	WBNVMIKYAPWXTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140882
O=C(NC(C(=O)NC1Cc2ncsc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109584,PC-id_138730429	458.531	PGZAHRKCVRTNOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140883
O=C(NC(C(=O)NC1Cc2scnc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110148,PC-id_138730990	458.531	BYEYOGZYYDQFJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140884
O=C(NC(C(=O)NC1Cc2sncc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109152,PC-id_138730003	458.531	ZNKBJXJVXVZNOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140885
O=C(NC(C(=O)NC1CCc2ncsc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730274,SCHEMBL21109427	458.531	GSBFOYWPPSBADW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140886
O=C(NC(C(=O)NC1CCc2scnc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730617,SCHEMBL21109772	458.531	MRYIQYVNJVIHPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140887
O(c1cc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccoc3)CC2)ccc1)c1ccccc1	PC-id_42169264	458.532	SAMDAVCKAIVPBC-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-140888
COCN1CC(CC(c2n[nH]c3c2CN(C3)CC(F)(F)F)C)Cc2c(C1)c(SC)n[nH]2	SCHEMBL19297275	458.544	HWEJAWXOCNPBQV-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-140889
s1c2CCCCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1c(F)cc(cc1)C(=O)C	PC-id_24565328	458.546	JBPGWWSTLVYEEF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140890
CCc1c(Cc2cc(c3-c2ccccc3)Cc2[nH]c(c(c2CC)C)C(=O)O)[nH]c(c1C)C(=O)O	PC-id_101176630	458.549	XDHHDEVESRSYSM-UHFFFAOYSA-N	00000010110000000110000000000010000000000000000000000000	31-01-140891
COC(=O)c1cc(c2-c1ccccc2)C(c1cn(c2c1cccc2)C)c1cn(c2c1cccc2)C	PC-id_101384745	458.55	IZHFPICQNACYCM-UHFFFAOYSA-N	00000010100000100110000001100010000000000000000000000000	31-01-140892
s1c2CCCCCc2cc1C(=O)NNC(=O)c1oc(CS(=O)(=O)c2ccccc2)cc1	PC-id_41637556	458.55	XYFRINBJQOWUNQ-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-140893
s1c2c(CCCCC2)c(c1NC(=O)c1cc(CN2C(=O)CSC2=O)ccc1)C(=O)OC	PC-id_52638579	458.55	ZTBNBBQUBAUSKD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-140894
s1c2c(CCCCC2)c(c1NC(=O)c1sc(NC(=O)c2occc2)cc1C)C(=O)OC	PC-id_52638589	458.55	XZHRAJVDUIOUAP-UHFFFAOYSA-N	00000000101100000100000000000010000000000000000000000000	31-01-140895
O(CCN1CCCC1)c1c(c2ccc(NC(=O)c3c4c([nH]c3)CCCCC4=O)cc2)cncc1	PC-id_10115370	458.552	KYUUYVAQUXIXIJ-UHFFFAOYSA-N	00000010100000111100100000000010000000000000000000000000	31-01-140896
c1(NC(=O)CSc2nnc(c3ccncc3)o2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_23024954,MCULE-5182148318,CoCoCo_6964436,ZINC22_19796996,SPECS-id_AO-476/43414248,PC-id_25020978	458.554	GKCOHZSCYDDJET-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-140897
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1ccccc1)nn2)C	PC-id_134828927	458.554	RRGGCMWNYBISOU-WFXMLNOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140898
C[C@@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1ccccc1)nn2)C	PC-id_134828954	458.554	RRGGCMWNYBISOU-LVCYWYKZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140899
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1ccccc1)nn2)C	PC-id_134828998	458.554	RRGGCMWNYBISOU-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140900
COC(=O)c1c2CCCCCCc2sc1NC(=O)CSc1nnc(o1)c1cccnc1	ZINC22_13557356,EMOLS-id_4706324,STOCK5S-79317,MCULE-5416723858,TIMTEC280381,PC-id_4910120	458.554	LCIQZEVAYOPIPT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-140901
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccccc1	PC-id_75036166	458.554	HYHIJLYQTCYSKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140902
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccccc1	PC-id_75036340	458.554	WDZBAJDPNLQQNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140903
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccccc1	CHEBI:95806,PC-id_44505004	458.554	HYHIJLYQTCYSKX-BBTUJRGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140904
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccccc1	CHEBI:95992,PC-id_44505204	458.554	HYHIJLYQTCYSKX-WFXMLNOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140905
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccccc1	PC-id_44505431,CHEBI:112477	458.554	HYHIJLYQTCYSKX-OPYAIIAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140906
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccccc1	PC-id_44505608,CHEBI:96207	458.554	HYHIJLYQTCYSKX-WAOWUJCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140907
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccccc1	PC-id_44505614,CHEBI:96089	458.554	HYHIJLYQTCYSKX-LVCYWYKZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140908
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccccc1	PC-id_44505809,CHEBI:96791	458.554	HYHIJLYQTCYSKX-UEXGIBASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140909
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccccc1	PC-id_44505819,CHEBI:112522	458.554	HYHIJLYQTCYSKX-LQWHRVPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140910
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccccc1	PC-id_44505827,CHEBI:96878	458.554	HYHIJLYQTCYSKX-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140911
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccccc1	PC-id_44505430	458.554	WDZBAJDPNLQQNP-WFXMLNOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140912
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccccc1	PC-id_44505437	458.554	WDZBAJDPNLQQNP-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140913
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccccc1	PC-id_44505609	458.554	WDZBAJDPNLQQNP-UEXGIBASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140914
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccccc1	PC-id_44505611,CHEBI:113460	458.554	WDZBAJDPNLQQNP-WAOWUJCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140915
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccccc1	PC-id_44505825	458.554	WDZBAJDPNLQQNP-LQWHRVPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140916
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccccc1	PC-id_44506016	458.554	WDZBAJDPNLQQNP-OPYAIIAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140917
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccccc1	PC-id_44506017	458.554	WDZBAJDPNLQQNP-BBTUJRGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140918
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccccc1	PC-id_44506019	458.554	WDZBAJDPNLQQNP-LVCYWYKZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140919
O=c1n2CCCCCc2nn1CC(=O)NCCCN(Cc1cccnc1)C(=O)OC(C)(C)C	PC-id_55885272	458.554	MJYKJVOPHSSIHC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-140920
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1[nH]c(c(c1C)C(=O)OCCOC)C	PC-id_46471799	458.554	WDRBHJHCXIDJAJ-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-140921
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc(cc3)C#CC(C)(C)O)CCn12	EMOLS-id_20430071,MCULE-4829106321,PC-id_45177390	458.555	NNMGFDIGCZFQDS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140922
Cc1ccccc1c1cccc(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)c1	EMOLS-id_20724501,PC-id_45246570,MCULE-5822151797	458.555	RNCVOFMXKCBXFK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-140923
Cc1ccccc1c1cccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)c1	ZINC22_14999457,CoCoCo_1608125,CoCoCo_1608124	458.555	RNCVOFMXKCBXFK-QFIPXVFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-140924
Cc1ccccc1c1cccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)c1	ZINC22_14999461,CoCoCo_1608127,CoCoCo_1608126	458.555	RNCVOFMXKCBXFK-JOCHJYFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-140925
C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC22_11789149,CoCoCo_1172686,CoCoCo_1172687	458.555	NNMGFDIGCZFQDS-LJQANCHMSA-N	00000000100000111101000000000010000000000000000000000000	31-01-140926
C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC22_11789150,CoCoCo_1172688,CoCoCo_1172689	458.555	NNMGFDIGCZFQDS-IBGZPJMESA-N	00000000100000111101000000000010000000000000000000000000	31-01-140927
OC(=O)CC(c1ccc2c(c1C)nnn2C)c1ccc(c(c1)CN1CCCn2c(C1)cnc2)C	SCHEMBL18325542	458.555	VTYSGIATLIASAI-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-140928
O=C(OC(C)(C)C)NC1CCC(CC1)CCN1CCc2c(CC1)cn(n2)CCC(F)(F)F	PC-id_138671147	458.561	FUHWPVVVMUBIAS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-140929
O=C(OC(C)(C)C)NC1CCC(CC1)CCN1CCc2c(CC1)cnn2CCC(F)(F)F	PC-id_138671859	458.561	ABRGBSKWEWREON-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-140930
O=C(OC(C)(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)cn(n2)CCC(F)(F)F	SCHEMBL21041517	458.561	FUHWPVVVMUBIAS-UAPYVXQJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-140931
O=C(OC(C)(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)cnn2CCC(F)(F)F	SCHEMBL21042283	458.561	ABRGBSKWEWREON-UAPYVXQJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-140932
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCCCCCCCCC2)c1C(=O)OCC	PC-id_4454838,EMOLS-id_8242769,CoCoCo_6918144,SPECS-id_AK-968/10814038,ZINC22_2771376,TIMTEC597012,MCULE-5966660471	458.57	ZLQUYLGDLLXZEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140933
CCN(CC)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)cc1	MCULE-5631959668,EMOLS-id_43723742,ZINC22_3349343,CoCoCo_2922308,PC-id_2466362	458.57	SRZIOMYQTDVBBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140934
Fc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)ccn2Cc1ccccc1	PC-id_22737959,SCHEMBL6776481	458.57	JZRRLICOBMLEGF-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-140935
Fc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)cn(c2)Cc1ccccc1	PC-id_22737892,SCHEMBL6772928	458.57	FUSUAZQEMUVPRR-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-140936
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCCOc1c(OC)cc(cc1)C(=O)C	PC-id_52625736	458.57	WHMIQBXEDLWTNN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140937
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(N)cc1)CC)C(=O)OCC	PC-id_24083134	458.57	VALOTWQRACSIQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140938
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc(N)ccc1)CC)C(=O)OCC	PC-id_23860603	458.57	KSBPSLJQAMRGRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140939
CCOCCN1CCN(CC1)C(=O)CNc1c(nc2n1C=CN=CC2)C(/C=CC=C/CF)C	PC-id_144326076	458.572	CFMMXQPIBCRHMD-PEPZGXQESA-N	00000000100010000111000000000010000000000000000000000000	31-01-140940
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccc(F)cc1)C(=O)OC	PC-id_19677218	458.572	BJPIBGJEVLRWFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140941
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1c(F)cccc1)C(=O)OC	PC-id_20168618	458.572	GYEZGCICRMJNDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140942
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(F)cc2)cc1)C(=O)OC	PC-id_20166529	458.572	UXMQUUNAWAHNNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140943
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)cccc2)cc1)C(=O)OC	PC-id_20168735	458.572	WNZORVJNEWORNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140944
O1CCC(CC1)C(=O)NC(c1n2CC[NH+](CCc2nn1)Cc1cc(OCC)c(OC)cc1)C	PC-id_74808331	458.574	CDOJEKIELDKUCD-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-140945
O1CCC(CC1)C(=O)N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OCC)c(OC)cc1)C	PC-id_42501627	458.574	CDOJEKIELDKUCD-QGZVFWFLSA-O	00000000100010110101000000000010000000000000000000000000	31-01-140946
O1CCC(CC1)C(=O)N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OCC)c(OC)cc1)C	PC-id_42501628	458.574	CDOJEKIELDKUCD-KRWDZBQOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-140947
O1CC(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2cc(OC)c(OC)cc2)C(C)C)CC1	PC-id_74500998	458.574	BUFMTOITERSITF-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-140948
O1CC(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2c(OC)c(OC)ccc2)C(C)C)CC1	PC-id_74494149	458.574	CVNXKNVBQUBKAG-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-140949
O1C[C@H](C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2cc(OC)c(OC)cc2)C(C)C)CC1	PC-id_26351874	458.574	BUFMTOITERSITF-GCJKJVERSA-O	00000010100000110101000000000010000000000000000000000000	31-01-140950
O1C[C@H](C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2cc(OC)c(OC)cc2)C(C)C)CC1	PC-id_26351878	458.574	BUFMTOITERSITF-XMSQKQJNSA-O	00000010100000110101000000000010000000000000000000000000	31-01-140951
O1C[C@H](C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2c(OC)c(OC)ccc2)C(C)C)CC1	PC-id_26278627	458.574	CVNXKNVBQUBKAG-NQIIRXRSSA-O	00000010100000110101000000000010000000000000000000000000	31-01-140952
O1C[C@H](C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2c(OC)c(OC)ccc2)C(C)C)CC1	PC-id_26278629	458.574	CVNXKNVBQUBKAG-WIYYLYMNSA-O	00000010100000110101000000000010000000000000000000000000	31-01-140953
CC[C@H](C)[C@@H](C(=O)NCCc1nnc2n1CCCCC2)N=C1c2ccccc2S(=O)(=O)N1	PC-id_136181124	458.577	DYERBMGOKYVQKB-YWZLYKJASA-N	00000010100000100101000000001010000000000000000000000000	31-01-140954
S1(=O)(=O)N=C(NC(C(CC)C)C(=O)NCCc2n3CCCCCc3nn2)c2c1cccc2	PC-id_76271389	458.577	DYERBMGOKYVQKB-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-140955
CCC(C(=N)N1CCOc2c(C1=N)sc(c2)C)CCNCCCC(=O)c1ccc(cc1)F	PC-id_141859790	458.592	HRPCTLUOUFTBRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-140956
CN1CCC(c2c(S1)ccn2CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)N=O	PC-id_91445725	458.592	VKMZYEWTRCQDGX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140957
CN1CCC(=NO)c2c(C1=O)n(cc2)CCCCN1CCC(CC1)Sc1ccc(cc1)F	PC-id_88403604,SCHEMBL9038261	458.592	GRTKNBBRJZERRL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-140958
O/N=C/1CCN(Sc2c1n(CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)cc2)C	PC-id_139804319	458.592	QVRNEBWKGRZQFF-YYADALCUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140959
Cc1ccc(cc1)S(=O)(=O)N1CCCCc2c(C1)ccn2S(=O)(=O)c1ccc(cc1)C	PC-id_101783359	458.594	SJTUDJQYLQRRRA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140960
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C2CC2)ccc1)C(=O)OC	PC-id_18908876	458.594	AEJFXQJBAYFRJK-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-140961
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1oc2c(n1)cccc2)C(=O)OCC	PC-id_23973540	458.594	LTECMHHMQUQETB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140962
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1oc2c(n1)cccc2)C)C(=O)OCC	PC-id_24135625	458.594	DCPRVZVXRLLIED-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140963
Oc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)ccn2Cc1ccccc1	PC-id_22737884,SCHEMBL6769493	458.595	NYZDWBDBHWYKSH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140964
Oc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)cn(c2)Cc1ccccc1	SCHEMBL6773685,PC-id_22738102	458.595	GCLRPUVIVWJOPN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140965
OC1CCN(CCCN2CCN(CC2)c2ccccc2)C(=O)c2c1n(cc2)Cc1ccccc1	PC-id_22737956,SCHEMBL6774934	458.595	NHTNQYCJXZKJNJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-140966
CC(C)c1n[nH]c2c1CN(CC(C2)CC(C)c1n[nH]c2c1CN(C2)CCOC)C(=O)COC	SCHEMBL20462838,PC-id_135296155	458.597	ONNWMGBYFQCACN-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-140967
CCOc1cc(ccc1O)C[N@H+]1CCc2n(CC1)c(nn2)[C@@H](NC(=O)[C@@H]1CC[N@H+](CC1)C)C	GD-id_ZINC11782872,PC-id_42162870	458.597	SJOKABSMBKOOLB-KRWDZBQOSA-P	00000000100010110101000000000010000000000000000000000000	31-01-140968
N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)sc2c1CCCCC2	EMOLS-id_4269199,CoCoCo_3573840,MCULE-7039350847,ZINC22_13030218,PC-id_22197021	458.597	NMILBVPCNLUUIJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140969
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(OCC)c(O)cc1)C)C1CC[NH+](CC1)C	PC-id_74779868	458.597	SJOKABSMBKOOLB-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-140970
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(OC)cc(OC)c1)C)C1CC[NH+](CC1)C	PC-id_74792060	458.597	QZBIOYRTZWLHHS-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-140971
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(OC)cc1)C)C1CC[NH+](CC1)C	PC-id_74799808	458.597	WWRWXJIJHOKRLX-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-140972
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(OC)ccc(OC)c1)C)C1CC[NH+](CC1)C	PC-id_74785745	458.597	WWPIOASORNZAEA-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-140973
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OCC)c(O)cc1)C)C1CC[NH+](CC1)C	PC-id_42162869	458.597	SJOKABSMBKOOLB-QGZVFWFLSA-P	00000000100010110101000000000010000000000000000000000000	31-01-140974
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)cc(OC)c1)C)C1CC[NH+](CC1)C	PC-id_42322428	458.597	QZBIOYRTZWLHHS-QGZVFWFLSA-P	00000000100010110101000000000010000000000000000000000000	31-01-140975
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)cc(OC)c1)C)C1CC[NH+](CC1)C	PC-id_42322433	458.597	QZBIOYRTZWLHHS-KRWDZBQOSA-P	00000000100010110101000000000010000000000000000000000000	31-01-140976
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(OC)cc1)C)C1CC[NH+](CC1)C	PC-id_42367764	458.597	WWRWXJIJHOKRLX-QGZVFWFLSA-P	00000000100010110101000000000010000000000000000000000000	31-01-140977
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(OC)cc1)C)C1CC[NH+](CC1)C	PC-id_42367769	458.597	WWRWXJIJHOKRLX-KRWDZBQOSA-P	00000000100010110101000000000010000000000000000000000000	31-01-140978
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)ccc(OC)c1)C)C1CC[NH+](CC1)C	PC-id_42246077	458.597	WWPIOASORNZAEA-QGZVFWFLSA-P	00000000100010110101000000000010000000000000000000000000	31-01-140979
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)ccc(OC)c1)C)C1CC[NH+](CC1)C	PC-id_42246079	458.597	WWPIOASORNZAEA-KRWDZBQOSA-P	00000000100010110101000000000010000000000000000000000000	31-01-140980
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCc1c(nc(SC)nc1C)C)C#N	PC-id_33987943	458.597	RUNRSCQXVKVOBI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-140981
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCn1c(=O)c2c(c(sc2nc1)C)C	PC-id_46523685	458.597	BDYUOVZRSLBOSF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140982
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)c1c2c([nH]c1)nccc2	PC-id_52721100	458.597	HRQPONHRAPZRRL-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-140983
C1COCCN1CCN=C1c2nn(cc2NC[C@H](N1)Cc1ccccc1)CCc1ccccc1	PC-id_135858176,SCHEMBL3466562	458.598	ZTQMFXXVHCWCFS-XMMPIXPASA-N	00000000100010110101000000000010000000000000000000000000	31-01-140984
C1COCCN1CCN=C1c2nn(cc2NCC(N1)Cc1ccccc1)CCc1ccccc1	PC-id_136376673,SCHEMBL3467303	458.598	ZTQMFXXVHCWCFS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140985
CCN(Cc1cn(c2=CC=C=CC=c12)CC)CC1CCN(CC1)c1ncc(cn1)C(=C=C)NO	PC-id_143172467	458.598	DQBKUAXZJITQTF-UHFFFAOYSA-N	00000000100010100111100000000010000000000000000000000000	31-01-140986
O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_112818099	458.598	DGFJJLSKLBDPPJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140987
CSc1nn2c(n1)nc(c(c2C)CCC(=O)NNC(=O)c1cc2c(s1)CCCCC2)C	EMOLS-id_19824735,CoCoCo_4278270,MCULE-7021830392,PC-id_24554091	458.6	ZAMKRWZGOVYLDY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-140988
S(c1n(c(nn1)C1CC1)CCC(=O)N)C(C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_24621255	458.6	BUHPJHQYLAKFIY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-140989
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NC(CN(CCCCC)CCCCC)C	PC-id_19523692	458.604	SVHGXDLPXHXNIK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-140990
COc1ccc(cc1OC)C(N1CCOCC1)CNC(=O)c1sc2c(c1)CCCCCC2	MCULE-3371458958,EMOLS-id_24499349,PC-id_42917054	458.613	SFNUAPRXZGSHJJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140991
COc1ccc([C@@H](CNC(=O)c2cc3c(s2)CCCCCC3)N2CCOCC2)cc1OC	ZINC22_32688908,PC-id_39920621,CoCoCo_3706559	458.613	SFNUAPRXZGSHJJ-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140992
COc1ccc([C@H](CNC(=O)c2cc3c(s2)CCCCCC3)N2CCOCC2)cc1OC	ZINC22_32688911,CoCoCo_3706558,PC-id_39920623	458.613	SFNUAPRXZGSHJJ-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140993
C=CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1C)CCCCCC2	ZINC22_409010576	458.615	CFFLPKAYOJRMEQ-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140994
C=CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCCCC2	ZINC22_409012925	458.615	JFQQFSDLRNPGHM-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140995
C=CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1cccc(C)c1)CCCCCC2	ZINC22_409017633	458.615	SNSSGOMSZHXERC-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-140996
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=N)N1CCSc2c(C1=N)ccs2	PC-id_141859821	458.615	KYSGAEQMXWCVKA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140997
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=N)N1CCSc2c(C1=N)csc2	PC-id_141859834	458.615	UWIHUPJYVDNJQP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140998
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=N)N1CCSc2c(C1=N)scc2	PC-id_141859743	458.615	FEOAYJYGULUZJP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-140999
S1CC(CSc2sc(=S)sc12)(COS(=O)(=O)O)COS(=O)(=O)O	PC-id_10625272	458.615	FDAWUAYZPBAZGZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141000
O=C(NC(c1n2CC[NH+](CC3CCCCC3)CCc2nn1)CC(C)C)c1oc(cc1)COC	PC-id_74802686	458.617	FZCHSMGGGUDCMT-UHFFFAOYSA-O	00000000101010000101000000000010000000000000000000000000	31-01-141001
O=C(N[C@H](c1n2CC[NH+](CC3CCCCC3)CCc2nn1)CC(C)C)c1oc(cc1)COC	PC-id_42430795	458.617	FZCHSMGGGUDCMT-NRFANRHFSA-O	00000000101010000101000000000010000000000000000000000000	31-01-141002
O=C(N[C@@H](c1n2CC[NH+](CC3CCCCC3)CCc2nn1)CC(C)C)c1oc(cc1)COC	PC-id_42430797	458.617	FZCHSMGGGUDCMT-OAQYLSRUSA-O	00000000101010000101000000000010000000000000000000000000	31-01-141003
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(C2SCCS2)cc1)C#N	PC-id_41215304	458.617	UGTCPQZRKVRPDG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-141004
s1c2c(CCCCC2)c(c1NC(=O)CSc1scc(n1)c1ccccc1)C(=O)OC	PC-id_3892074	458.617	QILUVMJHEQRFLG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141005
N#Cc1c(NC(=O)CSc2nc3sc(c(c3c(=O)n2C)C)C)sc2c1CCCCC2	PC-id_32279178,GD-id_ZINC24968093	458.62	JTJQKPDLPIZHCL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141006
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(CC)c(=O)c2sccc2n1)C)C#N	PC-id_55574768	458.62	YTJMAWCISOWLTM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141007
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(nnn1)CCc1sccc1)C)C#N	PC-id_24572553	458.623	OHZQMSXOORVPRQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-141008
S1CC(CSc2sc(=O)sc12)(COCOCCOC)COCOCCOC	PC-id_10742550	458.633	KVXRTPJACQPMKT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141009
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC	PC-id_23931707	458.637	NBYTWMYNSWSEQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141010
CNC(=O)[C@H](N1CCCc2c([C@H]1CCc1ccc(c(c1)C)C)c(C)nn2CC)c1ccccc1	SCHEMBL3144348,PC-id_68527733	458.638	SKSDZUJTHSGMPI-LEAFIULHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141011
CNC(=O)[C@H](N1CCCc2c([C@@H]1CCc1ccc(c(c1)C)C)c(C)nn2CC)c1ccccc1	SCHEMBL3152286,PC-id_24771002	458.638	SKSDZUJTHSGMPI-LBNVMWSVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141012
CNC(=O)C(N1CCCc2c(C1CCc1ccc(c(c1)C)C)c(C)nn2CC)c1ccccc1	PC-id_68530739,SCHEMBL3152106	458.638	SKSDZUJTHSGMPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141013
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1ncccc1)C(=O)OCC	PC-id_19655145	458.64	IAQWREGQFSJEQF-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-141014
N#Cc1c(NC(=O)CSc2nn(c(=S)s2)c2ccccc2)sc2c1CCCCC2	GD-id_ZINC20852061,PC-id_5035092	458.643	WLUAHPOFKNLKCZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141015
s1c2c(CCCCCC2)c(c1N=Cc1ccc(C(C)C)cc1)C(=O)Nc1c(c(ccc1)C)C	PC-id_23742190	458.658	DWDJNQXVUDPSLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141016
s1c2c(CCCCCC2)c(c1N=Cc1ccc(C(C)C)cc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_23959788	458.658	UTVSTRVXHKLEQD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141017
Cc1c2[C@@H]([C@@H](CC[C+](C=C[C@H](c(c1)o2)C(=C)C)C(=O)[O-])C(=C)C)OCOCC[Si](C)(C)C	PC-id_135501085	458.662	JLMYQBDXUWPUIE-WRALFONMSA-N	00000000100000000110000000000010000000000000000000000000	31-01-141018
Cc1c2[C@H]([C@H](CCC(=C[CH+][C@H](c(c1)o2)C(=C)C)C(=O)[O-])C(=C)C)OCOCC[Si](C)(C)C	PC-id_135756292	458.662	JLMYQBDXUWPUIE-FBLLAGFSSA-N	00000000100000000110000000000010000000000000000000000000	31-01-141019
Cc1c2[C@@H]([C@@H](CCC(=C[CH+][C@@H](c(c1)o2)C(=C)C)C(=O)[O-])C(=C)C)OCOCC[Si](C)(C)C	PC-id_136726062	458.662	JLMYQBDXUWPUIE-OTNCWRBYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-141020
[Si](CCOCOC1C(CCC(=C=CC(c2oc1c(c2)C)C(=C)C)C(=O)O)C(=C)C)(C)(C)C	PC-id_73106015	458.662	JKEZRGLVQWQFNQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-141021
[Si](CCOCO[C@@H]1[C@@H](CCC(=C=C[C@H](c2oc1c(c2)C)C(=C)C)C(=O)O)C(=C)C)(C)(C)C	PC-id_11798137	458.662	JKEZRGLVQWQFNQ-IBLAULMESA-N	00000000100000000110000000000010000000000000000000000000	31-01-141022
[Si](CCOCO[C@H]1[C@H](CCC(=C=C[C@H](c2oc1c(c2)C)C(=C)C)C(=O)O)C(=C)C)(C)(C)C	PC-id_21458036	458.662	JKEZRGLVQWQFNQ-HTSUHDLXSA-N	00000000100000000110000000000010000000000000000000000000	31-01-141023
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1C(C)C)C(=O)OCC	PC-id_19687908	458.68	AXECTBCWDWEOEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141024
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(C(C)C)cc1)CC)C(=O)OCC	PC-id_20179614	458.68	QVGUYSSQNKJOJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141025
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(C(CC)C)cc1)CC)C(=O)OC	PC-id_19675615	458.68	DZUSSXNWYHBCLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141026
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(C(CC)C)cc1)C)C(=O)OCC	PC-id_20168489	458.68	FQGIQXUNNMZJHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141027
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(C(C)(C)C)cc1)C)C(=O)OCC	PC-id_20179692	458.68	MFBPHFCCIRCFNO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141028
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1C(C)C)C(=O)OC	PC-id_19687901	458.68	LDTLGENZQWMMPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141029
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(C(C)C)cc1)CC)C(=O)OC	PC-id_20179607	458.68	LULFMMVHDPIFOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141030
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(C(C)C)cc1)C)C(=O)OCC	PC-id_19675533	458.68	PWJBITLJAJILNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141031
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(CCC)cc1)C)C(=O)OCC	PC-id_20168397	458.68	AAICHLLXABWQGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141032
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(C(CC)C)cc1)C)C(=O)OC	PC-id_20168482	458.68	GLUXBPUJOLMEAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141033
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_20179685	458.68	JCFZLQNVZCFUPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141034
CC(c1ccc(c2-c(c1)c(C)cc2SSc1cc(c2-c1c(C)ccc(c2)C(C)C)C)C)C	PC-id_102492901	458.721	JEAKVRRSKPBCKS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141035
Clc1c(ncc(Cl)c1Cl)C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_4314507	458.746	CMXBSWNRFGUHPR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-141036
CCCCCCC1(CCCCCC)COc2c(OC1)c(sc2C#C[Si](C)(C)C)C#CC	SCHEMBL12390963,PC-id_58403346	458.772	RTVNEWPPSXYNKD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141037
O=C(Nc1nc2c(s1)C[C@H](C(=O)O)CCC2(F)F)c1c[nH]nc1c1ccc(Cl)s1	ZINC22_2325862003	458.89	FTWZQOCBLWAGJF-SSDOTTSWSA-N	00000000100100000101100000000010000000000000000000000000	31-01-141038
O=C(Nc1nc2c(s1)C[C@@H](C(=O)O)CCC2(F)F)c1c[nH]nc1c1ccc(Cl)s1	ZINC22_2325862004	458.89	FTWZQOCBLWAGJF-ZETCQYMHSA-N	00000000100100000101100000000010000000000000000000000000	31-01-141039
Clc1c(C[NH+]2CCn3c(nnc3CNC(=O)c3cc(F)ccc3)CC2)cc2OCOc2c1	GD-id_ZINC11975828,PC-id_42326586	458.893	FXAVNXXYRAOUJL-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-141040
Cc1cc(c(o1)C)C(=O)NCc1nnc2n1CC[N@H+](CC2)Cc1cc2OCOc2cc1Cl	PC-id_42359457,GD-id_ZINC12025552	458.918	GTDJCELWOPCPQI-UHFFFAOYSA-O	00000010101000100101000000001010000000000000000000000000	31-01-141041
Clc1c([N-]S(=O)(=O)c2cc(C(=O)NCc3n4CCCCCc4nn3)ccc2)cccc1	PC-id_32290832	458.941	WTXDLYIWHCYOCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141042
c1(NC(=O)c2ccc(COc3ccc(cc3)Cl)o2)sc2c(CCCCCC2)c1C(=O)N	TIMTEC469725,ZINC22_669383,EMOLS-id_2934167,PC-id_1009435,MCULE-7705576866,CoCoCo_1859389	458.958	TZPHAYJTKXGEMA-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-141043
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_894752,TIMTEC486792,ZINC22_2086384,MCULE-4794929083,SPECS-id_AK-968/13031097,PC-id_1744722,EMOLS-id_2439472	458.958	USQDIPKWMCCADP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141044
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_2755447,TIMTEC343042,EMOLS-id_4144120,PC-id_4135594,MCULE-8849904436,CoCoCo_1849740	458.958	NUJFFMSJEGTTIG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141045
Clc1ccc(c2nc(on2)CCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_55667286	458.961	UMMOZLNKQVEHGC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141046
Clc1ccc(cc1)NS(=O)(=O)CCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	GD-id_ZINC29411559	458.978	ABHOFRFILDBZIQ-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-141047
Clc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	GD-id_ZINC13826312	458.978	WJIVAQHWROOHNJ-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-141048
Clc1cc(S(=O)(=O)N2C(C(CC(C)C)c3c(scc3)C(O)C2)C(=O)NO)ccc1	PC-id_76634428	458.979	ATIWKKZGKNUMCT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141049
Clc1cc(S(=O)(=O)N2[C@H]([C@@H](CC(C)C)c3c(scc3)[C@@H](O)C2)C(=O)NO)ccc1	PC-id_57139866	458.979	ATIWKKZGKNUMCT-YESZJQIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141050
c12C(=O)N(CCCn1nc(C(=O)NCCN1CCN(CC1)CC)c2)Cc1ccc(cc1)Cl	PC-id_50797933,EMOLS-id_32846306,MCULE-4103993951	458.984	VPUVSURKKZVRAZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141051
C[C@H](Sc1nnc(c2cccc(Cl)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4183521,ZINC22_12895447,PC-id_25584506	458.984	DFVKFVZFSRRPAY-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141052
C[C@@H](Sc1nnc(c2cccc(Cl)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_12895435,CoCoCo_4183522,PC-id_25584494	458.984	DFVKFVZFSRRPAY-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141053
C[C@@H](Sc1nnc(c2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_26007561,ZINC22_14242612,CoCoCo_4173061	458.984	FCMBMUPZUPSJNZ-GFCCVEGCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141054
C[C@H](Sc1nnc(c2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_26007562,CoCoCo_4173062,ZINC22_14242613	458.984	FCMBMUPZUPSJNZ-LBPRGKRZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141055
Clc1cc(c2oc(SC(C(=O)Nc3sc4CCCCCc4c3C#N)C)nn2)ccc1	MCULE-7710087316,EMOLS-id_16717637,PC-id_17514028	458.984	DFVKFVZFSRRPAY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141056
Clc1ccc(c2oc(SC(C(=O)Nc3sc4CCCCCc4c3C#N)C)nn2)cc1	PC-id_22108348,EMOLS-id_13563909,MCULE-8118018638	458.984	FCMBMUPZUPSJNZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141057
Clc1c(c2n(N)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cccc1	PC-id_4218113	458.987	OCMHJDMCEASJEG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141058
N#Cc1c(NC(=O)CSc2nnc(c3ccc(Cl)cc3)n2N)sc2c1CCCCC2	ZINC22_3296064,EMOLS-id_3084748,MCULE-5689071283,CoCoCo_2786945,PC-id_2411680	458.987	WLZHDTOOXRQHGW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141059
Clc1cc(NC(=O)CN(CC(=O)Nc2sc3CCCCCc3c2C#N)CC)c(cc1)C	PC-id_24427916	459.004	BEVKGFNEWSJKLG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141060
CCC1CN(CCCN2CCN(CC2)c2ccc(cc2)Cl)C(=O)c2c(C1OC)[nH]cc2C	SCHEMBL7501885,PC-id_70111752	459.024	ZRFGFINEJVWSDG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141061
Clc1ccc(N2CCN(CCCN3CCC(OC)c4n(cc(c4C3=O)C)CC)CC2)cc1	SCHEMBL6774557,PC-id_22738112	459.024	MWBHWYRKLRXNBE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141062
CCc1c(C)sc2c1OCCN(C2=N)C(=N)C1CCN(CC1)CCc1ccc(cc1)Cl	PC-id_141859761	459.047	WQGNFPFDQBMSIU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141063
Clc1ccc(cc1)CCN1CCC(CC1)C(=N)N1CCCc2c(C1=N)cc(s2)C(O)C	PC-id_141859868	459.047	USKXEOSZPADZMC-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-141064
CC(C#C)(C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_154682095	459.088	AWIRDLNEZFAEEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141065
C[C@](C#C)(C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_154682098	459.088	AWIRDLNEZFAEEU-HYGQZNFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141066
CC#CC(C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_154682282	459.088	FEUWVLCKYAQWAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141067
CC#CCC1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F	PC-id_154682261	459.088	BIWQIWIRGSXBPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141068
CC1=C2C(=C(N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC)CC=CCC2=O	PC-id_155289221	459.146	RFITXZKWQVERCU-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-141069
CC1=C2C(=C(N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OC)CCCCC2=O	PC-id_153617032	459.183	GACUWBJOGWUMHF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-141070
CCCC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)CC4=CN=C(S4)C	PC-id_161626987	459.238	WWQUVDGVVZIHSW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141071
Clc1c(CC(=O)O/C(=C(/c2n3CCCCCc3nn2)C#N)/C(F)(F)F)c(Cl)ccc1	CoCoCo_3321102,PC-id_2470345	459.249	JYYLNJRUBDZHDS-SFQUDFHCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141072
Clc1c(CC(=O)OC(=C(c2n3CCCCCc3nn2)C#N)C(F)(F)F)c(Cl)ccc1	MCULE-9477366412,EMOLS-id_26076981,PC-id_5189136	459.249	JYYLNJRUBDZHDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141073
N#C/C(=C(C(F)(F)F)/OC(=O)Cc1c(Cl)cccc1Cl)/c1nnc2n1CCCCC2	CoCoCo_3321103	459.249	JYYLNJRUBDZHDS-ATVHPVEESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141074
Brc1ccc(OCc2oc(C(=O)NCCc3n4CCCCCc4nn3)cc2)cc1	PC-id_55790798	459.336	LJVTXRQSUUDFAW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-141075
Clc1ccc(c(c1)Cl)C(=O)Nc1ccc(cc1)C(=O)N1CCCC(=O)c2c1ccs2	PC-id_21467147,SCHEMBL6990759	459.345	ZESYZNZGBMARQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141076
O=C(N1CCCC(=O)c2c1ccs2)c1ccc(cc1)NC(=O)c1cccc(c1Cl)Cl	PC-id_142627628	459.345	YZAZWHYGAVDAJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141077
Brc1ccc(cc1)NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2	ZINC22_2474870,BAS-00486760,ChEMBL-DNDi_CHEMBL5578678,CoCoCo_81742,MCULE-4887967027,PC-id_2054981,EMOLS-id_1230955	459.356	CFPFTHNLRNDXAZ-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-141078
c1(NC(=O)c2ccc(c3ccc(cc3)Br)o2)sc2c(CCCCC2)c1C(=O)N	CoCoCo_559416,ZINC22_8904563,MCULE-1665372511,EMOLS-id_2509515,SPECS-id_AN-153/I280123,PC-id_6456702	459.356	HKRKHOYIAPLOMB-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-141079
Brc1cnn(Cc2ccc(o2)C(=O)Nc2sc3CCCCCCc3c2C#N)c1	MCULE-2021638826,PC-id_2056588,ChEMBL-DNDi_CHEMBL1532745,BindingDB_PC-id_2056588,ChEMBL-DNDi_CHEMBL7492142,EMOLS-id_1998582,ZINC22_2487614,CoCoCo_936498,CHEMBL1532745,BindingDB-id_61328	459.359	OLEOJAKMNHZZPL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-141080
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(cc1)Cl	CK1735436,BAS-00486744,PC-id_1725972,ZINC22_2062099,CoCoCo_81737,SPECS-id_AG-690/12883415,GD-id_ZINC02062099,EMOLS-id_1230945,MCULE-9193424694,MS2_ST015923	459.388	LEMMQFTYWQCAGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141081
Cc1ccc(c(c1)Cl)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1cc(s2)Cl	SCHEMBL6993363,PC-id_69955184	459.388	WOPBUNZISGECBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141082
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1Cl	PC-id_142627641	459.388	QIVHQUSZDFSXKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141083
Clc1ccc(c(c1)C)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1cc(s2)Cl	PC-id_69955371,SCHEMBL6994023	459.388	PGULXEQSVXVZCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141084
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)Cc2c(Cl)cccc2)c1	PC-id_57159836	459.388	CYLSARIOAVCGTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141085
Clc1c(C(=O)Nc2c(cc(C(=O)N3CCCCc4sccc34)cc2)C)ccc(Cl)c1	PC-id_57117734	459.388	MUSNSVKQUOPYCT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141086
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)Cc2c(Cl)cccc2)cc1	GLL_PC-id_44213484,PC-id_44213484,SCHEMBL6987453	459.388	FFNCAGXOEYXUQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141087
Brc1cc(n2c(c(cc2C)C(=O)CSc2n3CCCCCc3nn2)C)ccc1	PC-id_29511610	459.403	RSQWEECOZOMWOV-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-141088
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2ccnc(C(F)(F)F)c2)CCC3)cc1	ZINC22_1565555971,EMOLS-id_313783184	459.421	LFOQBTXKKMLTTE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141089
O1CCN(CC2CC(N(CC2)C(=O)[O-])c2ccc([N+](=O)[O-])cc2)CCn2c1nc([N+](=O)[O-])c2	PC-id_71570303	459.433	RWJJTPDBGXZPTA-UHFFFAOYSA-M	00000000100010110101100000000010000000000000000000000000	31-01-141090
OC([C@H]1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)C1CC1	SCHEMBL18353466	459.439	YGMKKTPJNSQJPU-JBZHPUCOSA-N	00100000100000110101000000000010000000000000000000000000	31-01-141091
CCOC(=O)C(c1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)C(=O)NC(=O)N	PC-id_141580590	459.449	MZOUYNZGHRMBKU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141092
c1(NC(=O)c2cccc(c2)OC(F)(F)C(F)F)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_5125516,ZINC22_2754338,MCULE-9845431074,CoCoCo_5825428,TIMTEC399909,PC-id_4571818	459.454	QFWSZYSZPRKMMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141093
C1CCCc2c(CC1)n(cn2)[BH-](n1cnc2c1CCCCCC2)n1cnc2c1CCCCCC2	PC-id_101369038	459.458	GVLMEIHOYCEOAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141094
C1CCCc2c(CC1)nn(c2)[BH-](n1nc2c(c1)CCCCCC2)n1nc2c(c1)CCCCCC2	PC-id_101369040	459.458	PSCRQWCBWUWDHU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141095
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3c(F)ccc(F)c3F)CCn12	MCULE-3528301616,CoCoCo_1495553,ZINC22_19851984,PC-id_28406329,CoCoCo_1495552,EMOLS-id_20651113	459.464	WTAGFPOMUQQLLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141096
Fc1c(CN2CCn3c(nnc3C(NC(=O)c3c(F)ccc(F)c3)C)CC2)cc(OC)cc1	PC-id_45166461	459.464	URRMJXXUTAQYDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141097
COc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(C1=O)Cc1cc2c([nH]1)c(=O)cccc2	PC-id_135208150,SCHEMBL20363028	459.537	FICOSMQGCGGNKM-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-141134
FC(F)(F)c1ccccc1CN1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1	CoCoCo_1240672,MCULE-2389086580,EMOLS-id_20478557,CoCoCo_1240673,ZINC22_20453214,PC-id_28956172	459.464	BFOLLUUHLHGUBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141098
FC(F)(F)c1ccc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)cc1	CoCoCo_1287154,PC-id_29150548,CoCoCo_1287155,EMOLS-id_20511067,ZINC22_20776747,MCULE-3268890045	459.464	JKJZLBFFCOSMRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141099
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1)C#N	PC-id_3386141	459.472	JKVBUJWYNYSYDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141100
COCCOCCOC(=O)NC(C(=O)NC1Sc2nnc(o2)CNC(=O)C1=O)C(C)C	SCHEMBL21110126,PC-id_138730968	459.474	VOBPIOCCCYPUIB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141101
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1Cn1ncc([N+](=O)[O-])c1)C)C(=O)OC	PC-id_19442426	459.476	JCVONXCGJQXWPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141102
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1Cn1nc([N+](=O)[O-])cc1)C)C(=O)OC	PC-id_19442691	459.476	QRCUUTXXLAHKJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141103
S(=O)(=O)(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(OC(F)(F)F)cc1	PC-id_46516115	459.486	UOYRXRTZJYUWLQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141104
FC(F)(F)c1c(C[NH+]2CCn3c(nnc3CNC(=O)CCc3cccnc3)CC2)cccc1	PC-id_42276964	459.487	XSBPLIAQYXVDFR-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-141105
CCCCNC(=O)ONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	PC-id_23296705,SCHEMBL8152003	459.492	LBMCXIBJZXYKDM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141106
CCCCNN(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)OC=O	SCHEMBL8152005,PC-id_88255703	459.492	GCQBJOUOMJGKRZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141107
N#CC(=C(c1c(=O)oc2-c1cc(ccc2)C(C)C)C(=C(C#N)C#N)c1ccc(cc1)N(C)C)C#N	PC-id_101789616	459.499	QLLQNKGPPVBMGN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141108
O=C1C(CCn2c(N1C)cc(n2)Cn1ccnc1C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367329	459.504	JRWNXJXIUBPYJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141109
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(n(nc1C)Cc1c(cccc1)C)C	PC-id_19527296	459.507	OPZLOVJVRZKXDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141110
COC(=O)c1c(NC(=O)COC(=O)/C=Cc2ccc(c(c2)OC)O)sc2c1CCCCC2	CoCoCo_2953054	459.512	VIVCXDAHQAGETO-LUAWRHEFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141111
COC(=O)c1c(NC(=O)COC(=O)C=Cc2ccc(c(c2)OC)O)sc2c1CCCCC2	PC-id_71953895,EMOLS-id_43733264,MCULE-5496255610	459.512	VIVCXDAHQAGETO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141112
COC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(O)c(OC)c2)sc2c1CCCCC2	CoCoCo_2953053,PC-id_16374206,ZINC22_10218496	459.512	VIVCXDAHQAGETO-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141113
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)NCCOC)CC)cc1	PC-id_42855047	459.514	OBYZDJANCLZISP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141114
c1(NC(=O)CCC(=O)Nc2cc(ccc2C(=O)OC)C(=O)OC)sc2c(CCCCC2)n1	EMOLS-id_335107434,MCULE-1428534414	459.515	FFGNEXMJUJIDMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141115
c1(NC(=O)CCC(=O)Nc2cc(cc(C(=O)OC)c2)C(=O)OC)sc2c(CCCCC2)n1	EMOLS-id_335095910,MCULE-3781244189	459.515	CMOUEYPIYWDDKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141116
c1(NC(=O)C(=O)NN=Cc2ccc(c(OC)c2)O)sc2c(CCCCC2)c1C(=O)OCC	MCULE-7458112884	459.515	KKRDNDJGKVVXPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141117
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(c(c2)OC)O)sc2c1CCCCC2	EMOLS-id_26349285,PC-id_135497955,STOCK4S-75231	459.515	KKRDNDJGKVVXPH-FSJBWODESA-N	00000000100000110100000000000010000000000000000000000000	31-01-141118
CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)C(=O)N/N=Cc1cc(c(cc1)O)OC	PC-id_136717959	459.515	KKRDNDJGKVVXPH-FMCGGJTJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141119
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4ccc(cc4)c4ccco4)CCn23)c1	EMOLS-id_20534225,ZINC22_12135161,CoCoCo_1320610,MCULE-6239763659,PC-id_42424612,CoCoCo_1320609	459.515	NBBNLSDDHADEAI-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-141120
s1c2c(CCCCC2)c(c1NC(=O)c1c(N2CCOCC2)ccc([N+](=O)[O-])c1)C(=O)OC	PC-id_52598433	459.515	BTFMZTRMHQKQEP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141121
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN/C=C/1C=C(OC)C(=O)C=C1)C(=O)OCC	PC-id_12004505	459.515	XPUNEUZKGUQVKH-SEYXRHQNSA-N	00000000100011000100000000000010000000000000000000000000	31-01-141122
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN/C=C
/C=C(OC)C(=O)C=C1)C(=O)OCC	PC-id_5824592	459.515	XPUNEUZKGUQVKH-OUKQBFOZSA-N	00000000100011000100000000000010000000000000000000000000	31-01-141123
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NNC=C1C=C(OC)C(=O)C=C1)C(=O)OCC	PC-id_6790979	459.515	XPUNEUZKGUQVKH-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-141124
CC(C)(C)OC(=O)NCC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1cnc(cc1)N	PC-id_87289822,SCHEMBL1770566	459.519	NRIKQAWGUUKGAG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-141125
CC(C(C(=O)NC1CCc2nnsc2CNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730586,SCHEMBL21109741	459.519	GEEPUGGFVXOWMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141126
O=C(NC(C(=O)NC1Cc2nnc(s2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109339,PC-id_138730188	459.519	MIECJEDKWKNPME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141127
O=C(NC(C(=O)NC1Cc2nnsc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731025,SCHEMBL21110183	459.519	QXBVCONBKIYRDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141128
O=C(NC(C(=O)NC1CCc2snnc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109433,PC-id_138730280	459.519	LIKVXPBZFOEPNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141129
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)c1c2c([nH]c1)nccc2	PC-id_55974751	459.522	UGUSILWMMHULGN-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-141130
Cc1c(ncc(c1)C[n+]1nc2-c(c(cccc2)C(=C)NCC(C)(C)CO)c1)CCC(F)(F)F	PC-id_137247880	459.527	HKCGUIXDHCCBQE-UHFFFAOYSA-N	00000010100000101111000000000010000000000000000000000000	31-01-141131
Fc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(O)(C)C)C(=O)O	PC-id_139605609	459.53	NTMWZGSBKYSEOO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141132
OCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)F)C(=O)O)C	PC-id_139605626	459.53	YEEOJDMHLQAFSK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141133
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(C1=O)Cc1cc2c([nH]1)c(=O)cccc2	SCHEMBL20362996,PC-id_135208119	459.537	FICOSMQGCGGNKM-QHCPKHFHSA-N	00000010100010110110100000000010000000000000000000000000	31-01-141135
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(C1=O)Cc1cc2c([nH]1)c(=O)cccc2	SCHEMBL20363039,PC-id_135208159	459.537	FICOSMQGCGGNKM-HSZRJFAPSA-N	00000010100010110110100000000010000000000000000000000000	31-01-141136
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Oc1ccccc1)nn2)C	PC-id_134828945	459.539	UJEZMOMDLLQGGV-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141137
COc1cc(OC)c(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)c(OC)c1	EMOLS-id_20416722,MCULE-4559809450,PC-id_45174302	459.539	FZYJMMQLQZNJSZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-141138
COc1cc(OC)c(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c(OC)c1	CoCoCo_1154351,PC-id_28311188,ZINC22_19742520,CoCoCo_1154353	459.539	FZYJMMQLQZNJSZ-GOSISDBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-141139
COc1cc(OC)c(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(OC)c1	ZINC22_19742518,CoCoCo_1154354,PC-id_28311187,CoCoCo_1154352	459.539	FZYJMMQLQZNJSZ-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-141140
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccccc1	PC-id_75036157	459.539	NWYXEXAEFWIOJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141141
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccccc1	PC-id_75036253	459.539	VVYGNONDBDDRFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141142
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccccc1	CHEBI:96739,PC-id_44504989	459.539	NWYXEXAEFWIOJN-BBTUJRGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141143
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccccc1	CHEBI:96804,PC-id_44505188	459.539	NWYXEXAEFWIOJN-WFXMLNOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141144
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccccc1	PC-id_44497251,CHEBI:96885	459.539	NWYXEXAEFWIOJN-OPYAIIAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141145
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccccc1	PC-id_44498138	459.539	NWYXEXAEFWIOJN-LQWHRVPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141146
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccccc1	PC-id_44504990,CHEBI:96241	459.539	NWYXEXAEFWIOJN-UEXGIBASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141147
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccccc1	PC-id_44505180,CHEBI:96871	459.539	NWYXEXAEFWIOJN-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141148
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccccc1	PC-id_44505985,CHEBI:96641	459.539	NWYXEXAEFWIOJN-LVCYWYKZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141149
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccccc1	PC-id_44505988	459.539	NWYXEXAEFWIOJN-WAOWUJCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141150
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccccc1	CHEBI:131269,PC-id_44505990	459.539	VVYGNONDBDDRFX-WFXMLNOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141151
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccccc1	CHEBI:96796,PC-id_44505183	459.539	VVYGNONDBDDRFX-LQWHRVPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141152
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccccc1	PC-id_44505184	459.539	VVYGNONDBDDRFX-UEXGIBASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141153
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccccc1	PC-id_44505190	459.539	VVYGNONDBDDRFX-WAOWUJCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141154
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccccc1	PC-id_44505195,CHEBI:96879	459.539	VVYGNONDBDDRFX-LVCYWYKZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141155
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccccc1	PC-id_44505397,CHEBI:113314	459.539	VVYGNONDBDDRFX-OPYAIIAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141156
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccccc1	PC-id_44505991	459.539	VVYGNONDBDDRFX-BBTUJRGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141157
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccccc1	PC-id_44505996,CHEBI:96834	459.539	VVYGNONDBDDRFX-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141158
OC[C@@H](N1CC[C@@H](OCc2cn(CCCC1=O)nn2)CN(C(=O)OCc1ccccc1)C)C	PC-id_138484314,SCHEMBL20831972	459.539	MPMHBRVMEDFGGK-GHTZIAJQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141159
O=C(N1CCN(CC1)Cc1c(OC)c(OC)c(OC)cc1)Cn1nc2n(CCCCC2)c1=O	PC-id_55569973	459.539	XQBXYCSZNCCNMA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141160
s1c2c(CCCCC2)c(c1NC(=O)Cc1nc(sc1)NC(=O)c1occc1)C(=O)OC	PC-id_55762825	459.539	KHKFSSOSOPLHDF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-141161
s1c2c(CCCCC2)c(c1NC(=O)CSc1[n+](noc1[O-])c1ccccc1)C(=O)OC	PC-id_53292311	459.539	YLHXBBYQJXNODW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141162
c12C(=O)N(CCCn1nc(C(=O)N1CCN(CC1)c1ccc(cc1)OC)c2)Cc1ccccc1	MCULE-6676567446,PC-id_53086332,EMOLS-id_32632756	459.54	KPXPKGMLTHWHKR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141163
c1(ccccc1)CNC(=O)CCNC(=O)c1cc2n(n1)CCCN(Cc1ccc(cc1)C)C2=O	EMOLS-id_25388952,MCULE-1485737293,PC-id_46049987	459.54	SRBUSQNLKHTQNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141164
c1(ccccc1)CNC(=O)CN(C)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O	MCULE-2552385466,PC-id_46050008,EMOLS-id_25388228	459.54	SVLPRSAUUYKRTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141165
c1(ccccc1)CNC(=O)CN(C)C(=O)c1cc2n(n1)CCCN(Cc1c(C)cccc1)C2=O	MCULE-8889279985,EMOLS-id_25388976,PC-id_46050047	459.54	LXRSIUQANUNQAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141166
c1cccc(CN(C)C(=O)CNC(=O)c2cc3n(n2)CCCN(Cc2ccc(cc2)C)C3=O)c1	EMOLS-id_25387136,MCULE-5651619106,PC-id_46049694	459.54	QIIBAHIOKPAGMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141167
CC(C(=O)NC(c1ccccc1)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	MCULE-2228539527,EMOLS-id_25388128,PC-id_46049843	459.54	UWEMQJPDODEBFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141168
C[C@H](C(=O)N[C@H](c1ccccc1)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332490	459.54	UWEMQJPDODEBFK-RBUKOAKNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141169
C[C@H](C(=O)N[C@@H](c1ccccc1)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332491	459.54	UWEMQJPDODEBFK-RTBURBONSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141170
C[C@@H](C(=O)N[C@H](c1ccccc1)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332492	459.54	UWEMQJPDODEBFK-OALUTQOASA-N	00000000100000110101000000000010000000000000000000000000	31-01-141171
C[C@@H](C(=O)N[C@@H](c1ccccc1)C)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332493	459.54	UWEMQJPDODEBFK-MOPGFXCFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141172
CC(=O)Nc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CC=C3)CCN1CCCC1)/C(=O)N2	PC-id_145511635	459.54	CNMVDEIJPDAYCD-HKWRFOASSA-N	00000010100000100110000000001010000000000000000000000000	31-01-141173
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)Nc1ccccc1)CC)Cc1ccccc1	PC-id_46049942	459.54	ZGHUBZWIJDDGAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141174
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1ccccc1)Cc1cc(ccc1)C	PC-id_42855117	459.54	MZQRGZNCGUNHFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141175
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1ccccc1)Cc1c(cccc1)C	PC-id_46050068	459.54	ALDJUJQIABAYHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141176
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCc1ccccc1)C)Cc1ccc(cc1)C	PC-id_42855071	459.54	YPDVCEAPOUDMNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141177
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1ccccc1)C)Cc1ccc(cc1)C	PC-id_42855079	459.54	RPOWRCKWCAZHIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141178
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCc1ccccc1)C)Cc1cc(ccc1)C	PC-id_42855097	459.54	IWEDRGHDJCELOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141179
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCc1ccccc1)C)Cc1c(cccc1)C	PC-id_42855121	459.54	QGMVAFXLROLFQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141180
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NC(c1ccccc1)C)C)Cc1ccccc1	EMOLS-id_25388524,MCULE-7547262378,PC-id_46049856	459.54	VQJJPKKRUXIOPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141181
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)N(Cc1ccccc1)C)C)Cc1ccccc1	PC-id_42854955	459.54	WODVXVSPRUOAAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141182
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)N(Cc1ccccc1)C)C)Cc1ccccc1	PC-id_46049577	459.54	HSLSIRHHHGCOPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141183
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCCc1ccccc1)Cc1cc(ccc1)C	PC-id_42855108	459.54	YINFCWZOFKAGTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141184
O=C(CN(C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C)N[C@H](c1ccccc1)C	PC-id_93332560	459.54	VQJJPKKRUXIOPY-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141185
O=C(CN(C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C)N[C@@H](c1ccccc1)C	PC-id_93332561	459.54	VQJJPKKRUXIOPY-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141186
COc1ccc2c(c1)sc(n2)Nc1nc(NC2=Cc3cn[nH]c3C=CC2)c2c(n1)ccs2	PC-id_142265230	459.547	VVIFMGIDAFLDSB-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-141187
CN(c1ccc(OC(=O)c2cc3c(s2)CCCCC3)cc1)S(=O)(=O)c1ccc(F)cc1	EMOLS-id_45714515,MCULE-1124957820,PC-id_17516355,ZINC22_15525595	459.553	NAPDBLRIFZFRKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141188
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1ccc(F)cc1)C(=O)OC	PC-id_19469457	459.553	CIJKFLBFUSNVEE-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-141189
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1cc(F)ccc1)C(=O)OC	PC-id_19493205	459.553	PRSOHDPUBDBSPY-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-141190
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1c(F)cccc1)C(=O)OC	PC-id_19495043	459.553	WOYPAXDXPMQUMK-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-141191
CN1CCN(CC1)CCCOc1ccccc2-c1c(C)cc2/C=C/1C(=O)Nc2c1cc(F)cc2	PC-id_59301645,SCHEMBL3283051	459.555	OQSOCBXRCAAJQB-ULJHMMPZSA-N	00000010100010100111000000001010000000000000000000000000	31-01-141192
CN1CCN(CC1)CCCOc1ccccc2-c1c(C)cc2C=C1C(=O)Nc2c1cc(F)cc2	SCHEMBL3283055,PC-id_59301652	459.555	OQSOCBXRCAAJQB-UHFFFAOYSA-N	00000010100010100111000000001010000000000000000000000000	31-01-141193
Fc1ccc(cc1)OCc1scc(n1)CC(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_4582872,EMOLS-id_44044888,MCULE-2116480692,PC-id_41714451	459.557	HCOHUXFUMUNLJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141194
c1(NC(=O)CCC(=O)Nc2ccc(cc2)C(=O)OCCOCC)sc2c(CCCCC2)n1	EMOLS-id_335121263,MCULE-9758414962	459.558	JISYOHYYHCNJLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141195
c1(NC(=O)CCC(=O)Nc2ccccc2C(=O)OCCOCC)sc2c(CCCCC2)n1	EMOLS-id_335138153,MCULE-4507679011	459.558	JQHCUCBBFPBIEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141196
c1(NC(=O)CCC(=O)Nc2cccc(c2)C(=O)OCCOCC)sc2c(CCCCC2)n1	MCULE-5990194708,EMOLS-id_335086453	459.558	JRMNVJSPYGBIDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141197
CCOc1ccc(cc1OCC)C(=O)NCC(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-5898095796,CoCoCo_3430035,PC-id_22108266,GD-id_ZINC14242249,EMOLS-id_13563319	459.558	CJPRVYUWGNRXHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141198
O=C(NC(C(=O)NC1Cc2ccc(s2)CCNC(C1=O)O)C(C)C)OCc1ccccc1	PC-id_138731101,SCHEMBL21110261	459.558	FQFPBIDZKQBGOQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141199
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)c1occc1)C(=O)OCC	PC-id_22200215	459.558	BGCIAIMZROPBNU-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-141200
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)c1occc1)C(=O)OC	PC-id_22200190	459.558	LYEXIEXDUDDMGD-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-141201
S1C[C@H](N[C@@H](CCc2ccccc2)C(=O)OCC)C(=O)N(n2c1ccc2)CC(=O)OCC	PC-id_10928626	459.558	ZDOGDPMRTJHBFC-OALUTQOASA-N	00000000100000110101000000000010000000000000000000000000	31-01-141202
S1C[C@H](N[C@H](CCc2ccccc2)C(=O)OCC)C(=O)N(n2c1ccc2)CC(=O)OCC	PC-id_23252872	459.558	ZDOGDPMRTJHBFC-MOPGFXCFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141203
S1CC(NC(CCc2ccccc2)C(=O)OCC)C(=O)N(n2c1ccc2)CC(=O)OCC	PC-id_74034212	459.558	ZDOGDPMRTJHBFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141204
CCOC(=O)C1=C(/C(=C/C=CC)/CF)n2nc(nc2N=CC1)NCCCN1CCN(CC1)C	PC-id_143056986	459.56	BWTZPMRIJLVFBG-WKNFAQANSA-N	00000000100010000111000000000010000000000000000000000000	31-01-141205
N1(CCCc2ccccc2)C(=O)c2c(cc(cc2)C(=O)Nc2sc3c(CCCCC3)n2)C1=O	MCULE-7957877096,EMOLS-id_323477101	459.56	SDMCTBNZSIOVSG-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-141206
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(F)cc2)cn1)C(=O)OC	PC-id_20178788	459.56	HHLOMUVEDOWSOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141207
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2cc(F)ccc2)cn1)C(=O)OC	PC-id_20179518	459.56	LMMYIOZXJDDXSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141208
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)cccc2)cn1)C(=O)OC	PC-id_20178349	459.56	RZNMSJBGHYUZBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141209
Cc1c(c(=O)[nH]c(n1)N1CCOCC1)CCC(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_136170425	459.562	NHJSKCHCFMMGNY-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-141210
COc1cc(ccc1[N+](=O)[O-])C(=O)N1CCCN(c2c1ccs2)CCN1CCN(CC1)C	PC-id_139709938	459.562	UUCDXKSAQDCCAB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141211
s1c2CCCCCc2cc1C(=O)NNC(=O)CCC1C(=NC(=NC1=O)N1CCOCC1)C	PC-id_76240255	459.562	VORGCZBUIQNPOX-UHFFFAOYSA-N	00000000100011000101100000000010000000000000000000000000	31-01-141212
S(=O)(=O)(N1CCCCC1)c1cc2CCN(c2cc1)C(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55582696	459.562	FNJLIBBXNYCUQU-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-141213
S(=O)(=O)(N1CCC(CC1)C(=O)NCc1n2CCCCCc2nn1)c1ccc(cc1)C(=O)C	PC-id_24610278	459.562	MVNVVOHGUCOAMP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141214
C[C@H](c1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)C#CC(O)(C)C)NC(=O)c1cccnc1	GD-id_ZINC11789149	459.563	NNMGFDIGCZFQDS-LJQANCHMSA-O	00000000100000111101000000000010000000000000000000000000	31-01-141215
CCNC(=O)OC1Cc2nn(c(c2C(=NC(=C)N)SC1)N)Cc1ncc(c(c1C)OC)C	PC-id_88903350	459.565	VYYAUTRMORVCLB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-141216
CCNC(=O)OC1CS/C(=N/C(=C)N)/c2c(C1)nn(c2N)Cc1ncc(c(c1C)OC)C	SCHEMBL12319435	459.565	VYYAUTRMORVCLB-LHLOQNFPSA-N	00000000100000101101000000000010000000000000000000000000	31-01-141217
S(=O)(=O)(N)c1cc2nc(n(c2cc1)CCC)CCC(=O)NCc1n2CCCCCc2nn1	PC-id_24646587	459.565	BJXGWOWDRZKVJW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141218
C[C@@H]1CNc2cn(c(c2C(=O)N(N1)C)Sc1ccccc1)Cc1ccc(cc1)n1cncn1	PC-id_144007080	459.567	PZIDVRVMHFYFKE-QGZVFWFLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141219
O=C(C(C)C)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451566	459.569	CBOXHLVLTFUHLM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141220
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)CC1CC1	PC-id_138671526	459.569	OWKGDALPYFXGEF-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-141221
O=C(N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)CC1CC1	SCHEMBL21041913	459.569	OWKGDALPYFXGEF-JCNLHEQBSA-N	00100000100010000101000000000010000000000000000000000000	31-01-141222
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(F)cc1)C(=O)OCC	PC-id_22198426	459.577	PVUGUYQXGCZZSC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141223
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(F)cccc1)C(=O)OCC	PC-id_22199126	459.577	PSIXRKWRPYXFLC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141224
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(F)cc1)C(=O)OC	PC-id_22195894	459.577	QXTZGEOQGWPEQZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141225
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(F)ccc1)C(=O)OC	PC-id_22195694	459.577	WQWITVISXSQABV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141226
s1c2CCCCCCc2cc1C(=O)Nc1cc(NC(=O)CCN2CCOCC2)c(F)cc1	PC-id_52619991	459.577	TXSGAFUXKNGTOK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141227
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(F)cc1)C(=O)OC	PC-id_22198401	459.577	ZQLQFYQCEAJHKK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141228
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(F)cccc1)C(=O)OC	PC-id_22199094	459.577	ATMCXIBRAYBDRG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141229
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C=Cc1ccc(SC)cc1)C(=O)OC	PC-id_5139008	459.578	NEKLNTBQWXHTDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141230
S1(=O)(=O)C[C@@H](N(c2ccccc2)C(=O)COC(=O)c2sc3CCCCCCc3c2)C=C1	PC-id_29838147	459.578	UZBLFLWKQJMBJI-IBGZPJMESA-N	00000011100000110100000000000010000000000000000000000000	31-01-141231
S1(=O)(=O)C[C@H](N(c2ccccc2)C(=O)COC(=O)c2sc3CCCCCCc3c2)C=C1	PC-id_29838149	459.578	UZBLFLWKQJMBJI-LJQANCHMSA-N	00000011100000110100000000000010000000000000000000000000	31-01-141232
S1(=O)(=O)CC(N(c2ccccc2)C(=O)COC(=O)c2sc3CCCCCCc3c2)C=C1	PC-id_24341547	459.578	UZBLFLWKQJMBJI-UHFFFAOYSA-N	00000011100000110100000000000010000000000000000000000000	31-01-141233
CC(Cc1ccccc1)NCCCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	PC-id_70080040,SCHEMBL7402022	459.58	CNNMAIKZVMCFCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141234
CCCCC[C@H]1N[C@@H](Cc2ccccc2)C(=O)N(c2c1[nH]c(c2)C(=O)OC)Cc1ccccc1	PC-id_102395630	459.58	FDSPZHDRMVDWTI-PKTZIBPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141235
O=C1c2c([nH]cc2C(=O)Nc2ccc(OCCCNC(c3ccccc3)(C)C)cc2)CCCC1	PC-id_21953040,SCHEMBL6093956	459.58	AYPUZDWORPIUHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141236
CC(c1ccc(c2-c(c1)c(C)cc2[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C)C	PC-id_102047393	459.581	ATUKEFIZIACOHI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141237
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C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)Cc1cc(ccc1)OC)nn2)C	PC-id_134828951	459.582	GADLKTQQCSIVTK-DNVFCKCGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141243
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CCOC(=O)c1c2CCCCCc2sc1NC(=O)C(=O)N/N=C/c1ccc(SC)cc1	PC-id_5919744,STOCK4S-42287,EMOLS-id_26340701	459.582	DUJGEQNZVPATQS-YDZHTSKRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141247
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O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(OC)cc1)C	PC-id_75036268	459.582	VZSMXRDPAZDIAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141252
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(OC)ccc1)C	PC-id_75036196	459.582	GEARZFJDEYGDIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141253
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(OC)cc1)C	CHEBI:113286,PC-id_44505254	459.582	DSHXGOUIOHRIOZ-YDHSSHFGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141254
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O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(OC)cc1)C	PC-id_44505658	459.582	VZSMXRDPAZDIAR-SELNLUPBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141285
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(OC)ccc1)C	CHEBI:95831,PC-id_44505896	459.582	GEARZFJDEYGDIT-PWHSHALESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141286
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(OC)ccc1)C	CHEBI:96876,PC-id_44505245	459.582	GEARZFJDEYGDIT-SELNLUPBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141287
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(OC)ccc1)C	PC-id_44505053,CHEBI:95933	459.582	GEARZFJDEYGDIT-YCRNBWNJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141288
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(OC)ccc1)C	PC-id_44505059,CHEBI:113288	459.582	GEARZFJDEYGDIT-MSYCTHLASA-N	00000000100000110101000000000010000000000000000000000000	31-01-141289
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(OC)ccc1)C	PC-id_44505252,CHEBI:96752	459.582	GEARZFJDEYGDIT-DNVFCKCGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141290
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(OC)ccc1)C	PC-id_44505899,CHEBI:97011	459.582	GEARZFJDEYGDIT-YYDVJCTNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141291
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(OC)ccc1)C	PC-id_44506078	459.582	GEARZFJDEYGDIT-SFYKDHMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141292
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(OC)ccc1)C	PC-id_44506083,CHEBI:96850	459.582	GEARZFJDEYGDIT-YDHSSHFGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141293
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(OC)cccc1)C	CHEBI:113447,PC-id_44489279	459.582	QHTRHHVBBSPOHC-DNVFCKCGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141294
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(OC)cccc1)C	CHEBI:113496,PC-id_44483919	459.582	QHTRHHVBBSPOHC-SELNLUPBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141295
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(OC)cccc1)C	CHEBI:95599,PC-id_44489280	459.582	QHTRHHVBBSPOHC-YCRNBWNJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141296
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(OC)cccc1)C	CHEBI:95888,PC-id_44488171	459.582	QHTRHHVBBSPOHC-PWHSHALESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141297
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(OC)cccc1)C	PC-id_44488170,CHEBI:96650	459.582	QHTRHHVBBSPOHC-MSYCTHLASA-N	00000000100000110101000000000010000000000000000000000000	31-01-141298
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(OC)cccc1)C	PC-id_44490875,CHEBI:113295	459.582	QHTRHHVBBSPOHC-YYDVJCTNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141299
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(OC)cccc1)C	PC-id_44491466,CHEBI:112503	459.582	QHTRHHVBBSPOHC-SFYKDHMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141300
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(OC)cccc1)C	PC-id_44492066,CHEBI:113309	459.582	QHTRHHVBBSPOHC-YDHSSHFGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141301
s1c2c(CCCCC2)c(c1NC(=O)CCn1c(=O)c2c(c(sc2nc1)C)C)C(=O)OC	PC-id_52598463	459.582	RJIQQPGIMOTCAI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141302
s1c2c(CCCCC2)c(c1NC(=O)CSc1[nH]c2c(n1)ccc(OC)c2)C(=O)OCC	PC-id_3600423	459.582	XECIFTCHCRIFQG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141303
s1c2c(CCCCC2)c(c1NC(=O)CSc1[nH]c2c(n1)ccc(OCC)c2)C(=O)OC	PC-id_4233991	459.582	LWZQJZKJWIWFFR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141304
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccc(OC)cc1	PC-id_16923964	459.582	QDOOWSPJHHIYCJ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-141305
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12	PC-id_45187352,MCULE-4334455640,EMOLS-id_20473047	459.583	JVLBNWZORIYIMS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141306
Cc1ccccc1c1cccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)c1	MCULE-3579189940,PC-id_45169298,EMOLS-id_20395190	459.583	MXSUDMCRMJAOBL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-141307
Cc1ccccc1c1cccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c1	CoCoCo_1125375,ZINC22_23129008,CoCoCo_1125373	459.583	MXSUDMCRMJAOBL-XMMPIXPASA-N	00000010100000110101100000000010000000000000000000000000	31-01-141308
Cc1ccccc1c1cccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c1	CoCoCo_1125376,CoCoCo_1125374,ZINC22_23129007	459.583	MXSUDMCRMJAOBL-DEOSSOPVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-141309
C=CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1	PC-id_26346510,ZINC22_14991556,CoCoCo_1382051,CoCoCo_1382050	459.583	HJCSGCIPUDGUJL-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141310
C=CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1	ZINC22_14991558,CoCoCo_1382052,CoCoCo_1382053,PC-id_26346513	459.583	HJCSGCIPUDGUJL-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141311
C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	CoCoCo_1232878,ZINC22_11815028,CoCoCo_1232879	459.583	JVLBNWZORIYIMS-FQEVSTJZSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141312
C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	ZINC22_11815026,CoCoCo_1232876,CoCoCo_1232877	459.583	JVLBNWZORIYIMS-HXUWFJFHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141313
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccccc3OCC=C)CCn12	MCULE-7287130193,ChEMBL-DNDi_CHEMBL44500361,PC-id_45210900,EMOLS-id_20575765	459.583	HJCSGCIPUDGUJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141314
CN(Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CC1CCOCC1)c1ccccc1	PC-id_134805957	459.583	VWVQHMQVSSVNRO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141315
COc1ccccc1/C=CCN1CCc2n(CC1)c(nn2)[C@H](NC(=O)CCc1ccccc1)C	CoCoCo_1349355,CoCoCo_1349353	459.583	XXEWGWZQXQRBLC-PRUHCIRGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141316
COc1ccccc1/C=CCN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)CCc1ccccc1)C	CoCoCo_1349359,CoCoCo_1349357	459.583	XXEWGWZQXQRBLC-UOMAQRANSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141317
COc1ccccc1/C=C/CN1CCc2nnc(C(C)NC(=O)CCc3ccccc3)n2CC1	ChEMBL-DNDi_CHEMBL39268921,EMOLS-id_26004533,PC-id_45205797	459.583	XXEWGWZQXQRBLC-XYOKQWHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141318
COc1ccccc1/C=C/CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1	CoCoCo_1349354,ZINC22_12245070,CoCoCo_1349356,PC-id_42482395	459.583	XXEWGWZQXQRBLC-NBILRRPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-141319
COc1ccccc1/C=C/CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1	CoCoCo_1349360,CoCoCo_1349358,ZINC22_12245071,PC-id_42482397	459.583	XXEWGWZQXQRBLC-HSRJRILOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141320
n12CCN(CCc1nnc2CCNC(=O)C1CCC1)Cc1cccc(c1)OCc1ccccc1	CoCoCo_1282197,PC-id_29149802,MCULE-6493382750,EMOLS-id_20507623,CoCoCo_1282198,ZINC22_20774730	459.583	KVKZLRCQCASESE-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-141321
n12CCN(CCc1nnc2C(C)NC(=O)CCc1ccccc1)CC=Cc1ccccc1OC	MCULE-3376286475,PC-id_74807329	459.583	XXEWGWZQXQRBLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141322
O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)[C@@H](c1ccccc1)N1CCC(O)CC1	ZINC22_2325853523	459.583	SGNSLQUVZBYDBH-AREMUKBSSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141323
O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)[C@H](c1ccccc1)N1CCC(O)CC1	ZINC22_2325853524	459.583	SGNSLQUVZBYDBH-SANMLTNESA-N	00000000100010110101000000000010000000000000000000000000	31-01-141324
s1c2CCCCCc2c(c1NC(=O)CSc1sc(Nc2c(F)cccc2)nn1)C#N	PC-id_4563698	459.583	ZVYVQCNPZJJSIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141325
Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1c1ccc(S(=O)(=O)N)cc1	ZINC22_9468922,EMOLS-id_43775478,MCULE-7761930276,CoCoCo_3081473,PC-id_16312743	459.585	WQXXOCBFPMBMCK-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-141326
CN(Cc1nnc2n1CCCCC2)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1	ZINC22_23083028,PC-id_30828975,EMOLS-id_30008393,MCULE-8801409340,CoCoCo_4758526	459.585	MNZXMWCKMWWYQR-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-141327
O/C(=CSc1nnc2n1CCCCC2)/c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)C	CoCoCo_3081474,CoCoCo_3081477	459.585	XVJWXXOGCNBGRM-UYRXBGFRSA-N	00000000110000110101100000000010000000000000000000000000	31-01-141328
O/C(=C/Sc1nnc2n1CCCCC2)/c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)C	CoCoCo_3081475,CoCoCo_3081476	459.585	XVJWXXOGCNBGRM-CPNJWEJPSA-N	00000000110000110101100000000010000000000000000000000000	31-01-141329
s1c2c(CCCCC2)c(c1NC(=O)Cc1c(n2nc(SC)nc2nc1C)C)C(=O)OC	PC-id_52598450	459.585	FVKGHBREZPVPQK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141330
c1(NC(=O)c2cccc(OC)c2OC)sc2c(CCCCCCCCCC2)c1C(=O)OC	TIMTEC470250,ZINC22_2088825,SPECS-id_AK-968/15361418,PC-id_1746580,CoCoCo_5827145,EMOLS-id_4144724,MCULE-3489926486	459.598	UAEVYRXHCBBREL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141331
c1(NC(=O)CCC(=O)Nc2ccc(c(OCCC)c2)OCCC)sc2c(CCCCC2)n1	EMOLS-id_335116658,MCULE-4267181877	459.602	RUTUBLUDVHDKOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141332
c1(NC(=O)CCC(=O)NCCc2ccc(c(OCC)c2)OCC)sc2c(CCCCC2)n1	EMOLS-id_335097982,MCULE-3788200064	459.602	ZHQKGHGMYKMIIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141333
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(C(=O)CCCc3cccs3)CCn12	MCULE-3653635302,PC-id_45207105,EMOLS-id_20559635	459.605	DULGWUJZRZIZCE-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-141334
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)C#CC(C)(C)O)CCn12	EMOLS-id_232767587,PC-id_45167143,MCULE-7526998956,ChEMBL-DNDi_CHEMBL68182255	459.605	JAJXYEZHBZDBQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141335
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)CCCc1cccs1)CC2	CoCoCo_1357938,ZINC22_12281188	459.605	DULGWUJZRZIZCE-DYESRHJHSA-N	00000010100100000101000000000010000000000000000000000000	31-01-141336
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)CCCc1cccs1)CC2	CoCoCo_1357939,ZINC22_12281189	459.605	DULGWUJZRZIZCE-UTKZUKDTSA-N	00000010100100000101000000000010000000000000000000000000	31-01-141337
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)CCCc1cccs1)CC2	ZINC22_12281190,CoCoCo_1357937	459.605	DULGWUJZRZIZCE-LAUBAEHRSA-N	00000010100100000101000000000010000000000000000000000000	31-01-141338
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)CCCc1cccs1)CC2	ZINC22_12281191,CoCoCo_1357936	459.605	DULGWUJZRZIZCE-UWJYYQICSA-N	00000010100100000101000000000010000000000000000000000000	31-01-141339
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	PC-id_42397956,ZINC22_12079215	459.605	JAJXYEZHBZDBQI-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141340
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC22_12079216,PC-id_42397958	459.605	JAJXYEZHBZDBQI-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141341
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CC(=O)N2CCOCC2)CC1	CoCoCo_4231017,CoCoCo_4231018,ZINC22_22792190,PC-id_30628431	459.605	QQGZPHBSVAXAFL-KRWDZBQOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141342
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CC(=O)N2CCOCC2)CC1	CoCoCo_4231020,PC-id_30628439,CoCoCo_4231019,ZINC22_22792197	459.605	QQGZPHBSVAXAFL-QGZVFWFLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141343
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COc1cc(C)c(CN2CCN(C(=O)CSc3nnc4n3CCCCC4)CC2)cc1OC	EMOLS-id_11832813,CoCoCo_3933818,ZINC22_23818382,MCULE-7203752954,PC-id_16376285	459.605	CSTTVNUNNKALPW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141346
N#Cc1c(NC(=O)CCN2CCN(CC(=O)N3CCOCC3)CC2)sc2c1CCCCC2	MCULE-9421187974,EMOLS-id_11737405,CoCoCo_3954640,CoCoCo_3954641,ZINC22_22921714,PC-id_16310296	459.605	PBIXTSUHLTZUIF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141347
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s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)CN1CCOCC1)C#N	PC-id_55498963	459.605	QNLHEIDQYKRWIL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141349
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)CN1CCOCC1)C)C#N	PC-id_55494231	459.605	JYQPIORRRKPVPI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141350
s1c2CCCCCCc2nc1NC(=O)CCc1onc(n1)C1(NC(=O)C)CCCCCC1	PC-id_56022244	459.605	DRTKISZJSPXMSZ-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-141351
S(=O)(=O)(N1CCCCC1)c1ccc(CCC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55484079	459.605	VQWVSHOWISYBRX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141352
S(=O)(=O)(N1CC(CC(C1)C)C)c1cc(ccc1)C(=O)NCCc1n2CCCCCc2nn1	PC-id_60389691	459.605	DBAHVTYSHKMZED-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141353
S(=O)(=O)(N1CCC(CC1)C(=O)NCc1n2CCCCCc2nn1)c1c(cc(cc1C)C)C	PC-id_24676669	459.605	FGEPNMPFHMTNRR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141354
S(=O)(=O)(N1CCC(CC1)C(=O)NCCc1n2CCCCCc2nn1)c1c(cc(cc1)C)C	PC-id_55535976	459.605	MGVMWBBCCXVUDL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141355
S(=O)(=O)(N1CCCCCC1)c1ccc(CCC(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24646566	459.605	ZTHIRWINZFGVRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141356
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	ZINC22_12035483,CoCoCo_1173208,CoCoCo_1173209,PC-id_42366769	459.606	UYNSSOVGRSIYEK-LJQANCHMSA-N	00000000100000110101000001000010000000000000000000000000	31-01-141357
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	ZINC22_12035487,PC-id_42366773,CoCoCo_1173211,CoCoCo_1173210	459.606	UYNSSOVGRSIYEK-IBGZPJMESA-N	00000000100000110101000001000010000000000000000000000000	31-01-141358
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3cc4ccccc4s3)CCn12	EMOLS-id_20430437,PC-id_45177469,MCULE-2284718105	459.606	UYNSSOVGRSIYEK-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-141359
C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41132402,ZINC22_9580110,CoCoCo_4183439	459.608	MENOFKPEEDJNKX-LBPRGKRZSA-N	00000000101000000101000000000010000000000000000000000000	31-01-141360
C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41132403,CoCoCo_4183440,ZINC22_9580112	459.608	MENOFKPEEDJNKX-GFCCVEGCSA-N	00000000101000000101000000000010000000000000000000000000	31-01-141361
N#Cc1c(NC(=O)C(Sc2nnc(s2)NCc2ccco2)C)sc2c1CCCCC2	EMOLS-id_11776363,MCULE-4742148075,PC-id_16336212	459.608	MENOFKPEEDJNKX-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-141362
S(=O)(=O)(N[C@@H](C1CCCCC1)C)/C=C/c1n[nH]c2C(CCCCc12)Cc1cc(F)ccc1	PC-id_25025018	459.62	ZAWDAZDUUOWVCY-ZMBPRGCWSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141363
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCCC)CC)sc2c(CCCCC2)c1C#N	PC-id_5090880,CoCoCo_5026012,MCULE-9944113278,EMOLS-id_5483420,ZINC22_12140079	459.625	QYPWRLYHWGQNEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141365
c1(NC(=S)NC(=O)c2cccnc2)sc2c(CCCCCCCCCC2)c1C(=O)OC	ZINC22_2316554,EMOLS-id_4457291,MCULE-3472124660,PC-id_1933144,STOCK2S-75670	459.625	CWYGJOGOZMNKML-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-141366
c1(NC(=S)NC(=O)c2ccncc2)sc2c(CCCCCCCCCC2)c1C(=O)OC	MCULE-9383479255,EMOLS-id_4457233,ZINC22_2316513,PC-id_1933106,STOCK2S-75588	459.625	REOPREPNNFNYNS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-141367
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CCN(CC1)c1ccc(cc1)O	EMOLS-id_4144770,ZINC22_20168465,TIMTEC462264,PC-id_17375129,MCULE-4548326270,CoCoCo_6810062	459.625	SXKIYFFDSDUIQB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141368
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CCN(CC1)c1cccc(O)c1	PC-id_17374217,MCULE-3353181168,TIMTEC163020,ZINC22_20168469,CoCoCo_6809728,EMOLS-id_4144768	459.625	GBOQWWYDXUTVBD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141369
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_2329929,EMOLS-id_48972034,CoCoCo_3746015,ZINC22_3209595,MCULE-6056826666	459.625	MGPRUQLPBLKEPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141370
O=C1CCC(CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)S	PC-id_139563571,SCHEMBL21441633	459.625	BUUPESWCJHQNCJ-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-141371
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(OC)cc1)C(=O)OC	PC-id_19654571	459.625	MMUIDQDVMGGDNO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141372
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1cc(OC)ccc1)C(=O)OC	PC-id_19655184	459.625	PKPRXZQQCUHXQZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141373
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(OC)cccc1)C(=O)OC	PC-id_19655237	459.625	ZTBYDLSACOKOBX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141374
s1c2CCCCCCc2cc1C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1	PC-id_51537717	459.625	PHFBTXMTBJBVEQ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-141375
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(N(C)C(=O)C)cc1)C(=O)OCC	PC-id_19649205	459.625	XIWFKYXFJDIFOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141376
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCCc2n1)/C=C/c1ccccc1	PC-id_56022105	459.625	HMRKIVGWYKQDRR-SAPNQHFASA-N	00000000100010110101000000000010000000000000000000000000	31-01-141377
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCCc2n1)C=Cc1ccccc1	PC-id_76294581	459.625	HMRKIVGWYKQDRR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141378
Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(CC(C)C)cc2)CC3)c(C)c1	EMOLS-id_20446003,CoCoCo_1194658,PC-id_26275687,ZINC22_14879738,MCULE-2527975171,CoCoCo_1194659	459.626	KNVULNDFZNTNBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141379
CC(C)Cc1ccc(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)cc1	ChEMBL-DNDi_CHEMBL43512284,MCULE-2884282145,PC-id_45209927,EMOLS-id_20571817	459.626	GBAPVEDTDCEJBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141380
CC(C)Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	CoCoCo_1375922,CoCoCo_1375923,ZINC22_14989982,PC-id_26344658	459.626	GBAPVEDTDCEJBL-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141381
CC(C)Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	PC-id_26344655,CoCoCo_1375920,CoCoCo_1375921,ZINC22_14989980	459.626	GBAPVEDTDCEJBL-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141382
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCN(CC1)c1ncccn1	CoCoCo_996869,PC-id_2956310,TIMTEC166877,EMOLS-id_2242219,ZINC22_16346654,MCULE-8040620836	459.628	GFWSNFVDFWAQQU-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-141383
CNCCNC(=O)c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1cccc(c1)S(=O)(C)C	SCHEMBL13591840	459.628	VQRTXBFNUUKSRM-JGXYOWORSA-N	00000000100000110111000000000010000000000000000000000000	31-01-141384
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)C(C)C)C#N	PC-id_19716923	459.628	MENVMNDRWJYSTO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-141385
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)CC)C#N	PC-id_19716194	459.628	WVUWMOBCPBAKQM-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-141386
s1c2c(CCCCCCCCCC2)c(c1N=CC1C(=O)CC(CC1=O)(C)C)C(=O)OCC	PC-id_23767566	459.641	BJNUIPOOAUHYMK-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-141387
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(N(C)C)cc3)sc3c2CCCCCC3)c1	ZINC22_409012532	459.646	IQIDOAMSASQVHR-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141388
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(N(C)C)cc3)sc3c2CCCCCC3)c1	ZINC22_409017674	459.646	SSIFNQUUFUXLFO-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141389
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(N(C)C)cc3)sc3c2CCCCCC3)c1C	ZINC22_409010149	459.646	AGIBYFKNDCQWKQ-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141390
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(N(C)C)cc3)sc3c2CCCCCC3)cc1C	ZINC22_409019812	459.646	XNGNPWXDXKIROI-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141391
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C	PC-id_19687957	459.646	PNUOZQDVPSKXDU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141392
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_17425328,CoCoCo_4491000,EMOLS-id_11993841,ZINC22_24600924,MCULE-6180729816	459.648	CVWCYJMZKOGUCR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141393
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCCN(CC(=O)NC(C)(C)C)CC1	PC-id_30628361,CoCoCo_4240316,ZINC22_22792102,CoCoCo_4240315,CoCoCo_4240314,CoCoCo_4240317	459.648	NWEXPTFJXGEIEE-QGZVFWFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141394
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCCN(CC(=O)NC(C)(C)C)CC1	ZINC22_22792095,CoCoCo_4240311,CoCoCo_4240310,PC-id_30628353,CoCoCo_4240313,CoCoCo_4240312	459.648	NWEXPTFJXGEIEE-KRWDZBQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141395
N#Cc1c(NC(=O)C(N2CCCN(CC2)CC(=O)NC(C)(C)C)C)sc2c1CCCCC2	MCULE-7444068088,PC-id_16347096,EMOLS-id_43983596	459.648	NWEXPTFJXGEIEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141396
s1c2c(CCCCC2)c(c1NC(=S)Nc1sc2c(n1)cc(c(c2)C)C)C(=O)OCC	PC-id_20180498	459.648	JMHAINMZXPGQJT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141397
s1c2c(CCCCCC2)c(c1NC(=S)Nc1sc2c(n1)cc(c(c2)C)C)C(=O)OC	PC-id_20180491	459.648	GXKRIYFWPRMYDH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141398
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(C(C)(C)C)ccc1C)C(=O)OCC	PC-id_4626644	459.664	XPPVSGJWWAYPNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141399
CCC(/C(=C(/c1nc2c(o1)S(C)(C)CCC/C/2=NOC)SC(=C)c1cccnc1)/C)C	PC-id_145678435	459.668	IMZLVMFFDQEJBN-XLLIUZKOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-141400
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(N(CC)CC)cc1)C(=O)OCC	PC-id_20414829	459.668	NWHHNGFTRHBFHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141401
Cc1c2[C@@H]([C@@H](CCC(=C[CH+][C@H](c(c1)o2)C(=C)C)C(=O)O)C(=C)C)OCOCC[Si](C)(C)C	PC-id_135501086	459.67	JLMYQBDXUWPUIE-WRALFONMSA-O	00000000100000000110000000000010000000000000000000000000	31-01-141402
Cc1c2[C@H]([C@H](CCC(=C[CH+][C@H](c(c1)o2)C(=C)C)C(=O)O)C(=C)C)OCOCC[Si](C)(C)C	PC-id_135756293	459.67	JLMYQBDXUWPUIE-FBLLAGFSSA-O	00000000100000000110000000000010000000000000000000000000	31-01-141403
Cc1c2[C@@H]([C@@H](CCC(=C[CH+][C@@H](c(c1)o2)C(=C)C)C(=O)O)C(=C)C)OCOCC[Si](C)(C)C	PC-id_136726063	459.67	JLMYQBDXUWPUIE-OTNCWRBYSA-O	00000000100000000110000000000010000000000000000000000000	31-01-141404
Cc1c2-c(c(cc2C=CC=C[CH+]c2cc(c3-c2c(ccc(c3)C(C)C)C)C)C)cc(cc1)C(C)C	PC-id_136834149	459.684	IQRLVSBPCOJRSR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141405
Clc1c(cc(NC(=O)CN(C(=O)Cn2nc3n(CCCCC3)c2=O)C)cc1)C(F)(F)F	PC-id_55478246	459.85	QHJWEJFZYSUUHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141406
Clc1c(n2c(c(C=C(c3n4CCCCCc4nn3)C#N)cc2C)C)cc(cc1)C(F)(F)F	PC-id_5224166,MCULE-9663799564,EMOLS-id_26092967	459.895	JMJJMZINYUYLRN-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-141407
Clc1c(n2c(c(/C=C(/c3n4CCCCCc4nn3)C#N)cc2C)C)cc(cc1)C(F)(F)F	PC-id_6306401,CoCoCo_3456452	459.895	JMJJMZINYUYLRN-GZTJUZNOSA-N	00000000110000110101100000000010000000000000000000000000	31-01-141408
N#C/C(=C/c1cc(n(c1C)c1cc(ccc1Cl)C(F)(F)F)C)/c1nnc2n1CCCCC2	CoCoCo_3456453	459.895	JMJJMZINYUYLRN-BOPFTXTBSA-N	00000000110000110101100000000010000000000000000000000000	31-01-141409
Clc1c([N+](=O)[O-])cc(/C=C/C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_41356659	459.903	MXELQRBKHGMEFD-VQHVLOKHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141410
Clc1c([N+](=O)[O-])cc(C=CC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_74757905	459.903	MXELQRBKHGMEFD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141411
CC1CCc2c(cc(s2)C(=O)N)C(C1)N(C)C(=O)Nc1cc(c(cc1)Cl)C(F)(F)F	PC-id_91044273	459.913	ZBLVBLFJPZVIIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141412
COc1cc(Cl)c(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1OC	ZINC22_20119083,PC-id_28641567,CoCoCo_1521001,CoCoCo_1521002,EMOLS-id_20667869,MCULE-5113648847	459.926	LHSYCCDJUCJTLD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-141413
Clc1c(C(=O)NC(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)C)cccc1	PC-id_76268852	459.946	ZTQCQKJETOWABZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141414
Clc1c(C(=O)N[C@H](C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)C)cccc1	PC-id_55925830	459.946	ZTQCQKJETOWABZ-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141415
O=C(NCc1nnc2n1CCCCC2)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	CoCoCo_4561652,EMOLS-id_17214188,PC-id_24248306,MCULE-3566912546,ZINC22_24980895	459.949	RZITXYTXJIAGKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141416
O=C(NCc1nnc2n1CCCCC2)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	PC-id_17569531,CoCoCo_4561651,MCULE-6659153975,EMOLS-id_13546889,ZINC22_14226535	459.949	JRENGMGZLVQNKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141417
Clc1cc2OCOc2cc1CN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1	PC-id_26358620,ZINC22_15002780,CoCoCo_1410670,MCULE-1953040215,EMOLS-id_20594983,CoCoCo_1410671	459.969	XUHRSTIBMLNTFB-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-141418
Clc1cc(C(=O)N2CCC(CC2)C(=O)NCCc2n3CCCCCc3nn2)c(OC)cc1	PC-id_55626816	459.969	RSOQSYIBMLZOHW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141419
c1(NC(=S)NC(=O)c2ccc(Cn3cc(cn3)Cl)o2)sc2c(CCCCC2)c1C#N	CoCoCo_5837499,PC-id_4280877,EMOLS-id_4144948,MCULE-1644934025,TIMTEC170691,ZINC22_2793031	459.972	GKEATOCMFPKSIK-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-141420
CC(C)c1ccc2-c(c(cc2CCCCNS(=O)(=O)c2ccc(Cl)cc2)C(=O)O)cc1	CHEMBL78123,SCHEMBL9627775,PC-id_10095756	459.986	WJIVAQHWROOHNJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141421
CC(C)c1ccc2-c(c(cc2CCCCS(=O)(=O)Nc2ccc(Cl)cc2)C(=O)O)cc1	CHEMBL297808,PC-id_44291875,BindingDB_PC-id_44291875	459.986	ABHOFRFILDBZIQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141422
CCc1c(nn2c1OCCCC2)C(NS(=O)(=O)c1ccc(cc1)Cl)Cc1ccccc1	PC-id_24953326,SCHEMBL14208563	459.989	QCGJIDKCYYKWSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141423
Clc1c(C(=O)N2CCCC(c3sccc23)CC(=O)NC(C)C)ccc(N2CCCC2)c1	PC-id_9933932	460.032	AHORAWHPEFZFKE-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-141424
Clc1cc(N2CCN(CC2)CCCCCCN2CCCc3sc(cc3C2=O)C)ccc1	PC-id_19881031	460.075	RHRREHJJNKILIG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141425
CC(C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)(C(F)(F)F)O	PC-id_154682080	460.083	YQMCZDONNUHMKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141426
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)F)C=C[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)F	PC-id_154991308	460.118	IVHGKMODUXVPSB-FCBBPLNGSA-N	00000000100000110111000000000010000000000000000000000000	31-01-141427
CC(C)(C#CCC1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682129	460.122	PHVVBYBBBVKNQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141428
CC(C)(C#CC[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_154682026	460.122	PHVVBYBBBVKNQN-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141429
CC(C)(C#CC[C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O	PC-id_155258027	460.122	PHVVBYBBBVKNQN-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141430
CC1=C2C(=C(N1)C(=O)CC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC)CCCCC2=O	PC-id_163670269	460.167	SITUVQPVVVFVQP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141431
CC(C)C(C(=O)CC1CC2=CC(=NN2)CCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_160367723	460.178	QBFUVLNOOYJBGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141432
CC(C)C(C(=O)CC1CC2=CN(CCCNC(=O)C1=O)N=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_147499947	460.178	FHFDKEUESPALAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141433
CC(C)C(C(=O)CC1CCC2=CC(=NN2)CCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_149529557	460.178	ZMJAXOXOLBFVLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141434
CC(C)C(C(=O)CC1CCC2=CN(CCNC(=O)C1=O)N=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_148307813	460.178	LALRHXAVZLNMOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141435
C1C[C@@H](OC[C@H]1CC(=O)CC2CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_161302406	460.201	VHUISZZENFACNX-SJLPKXTDSA-N	00100000100010000101000000000010000000000000000000000000	31-01-141436
BrC1=C/C(=C/c2c3-c(c(c2)C)cc(C(C)C)ccc3C)/C=C(Br)C1=O	PC-id_11734301	460.202	WGKKIZIHFOLEET-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-141437
C=C1C=CC(=C[CH+]1)Cn1c2c(CCCCC2Cc2cc(ccc2)Cl)c(n1)C(=O)NC1CCC1	PC-id_163987999	460.215	TYAMTIYQLIRMAU-UHFFFAOYSA-O	00001000100011110101000000000010000000000000000000000000	31-01-141438
CC/C(=C(/C1=CC(C(C=C1)/C=C/c1n[nH]nn1)C)C1=Cc2c(CC#C1)[nH]nc2)/c1ccccc1C	PC-id_163891375	460.238	QBVBKDLLTBRXQC-RPIZWUELSA-N	00000000100011110111000000000010000000000000000000000000	31-01-141439
B([C@H](CC(C)C)NC(=O)[C@@H]1CCCCCCCCCCCC(=O)C2=CC=C(N2)C(=O)C1)(O)O	PC-id_162002940	460.311	KYZMOBYAMREMIO-DVECYGJZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-141440
O=C(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OCC1COc2c(OC1)csc2	PC-id_121250121,SCHEMBL17646186	460.312	PHGGRAWVJJVWTA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141441
COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cnc(Cl)cc2Cl)CCC3)cc1	EMOLS-id_313761992,ZINC22_2055747462	460.313	APZUKZMKUCNSJG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141442
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C#Cc1ccc(s1)I	PC-id_102579714	460.328	MOXBKRXITJAPJU-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-141443
c1(CN(c2ccccc2OC)C(=O)Nc2ccc(c(Cl)c2)Cl)nnc2CCCCCn12	CoCoCo_2580198,MCULE-9124800476,PC-id_27451077,ZINC22_16973294,EMOLS-id_10085710	460.356	BWGDKOYXPAKWMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141444
c1(CN(c2ccc(cc2)OC)C(=O)Nc2ccc(c(Cl)c2)Cl)nnc2CCCCCn12	ZINC22_720349,CoCoCo_6269188,TOSLab_8175,MCULE-7746983361,PC-id_1046032,EMOLS-id_6784423	460.356	KCWOYLVXBSCURE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141445
c1(CN(c2ccc(c(Cl)c2)OC)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	EMOLS-id_10095911,MCULE-6240655461,CoCoCo_2580289,PC-id_16030703,ChEMBL-DNDi_CHEMBLF2559-0406,ZINC22_8598688,CHEMBL1553625	460.356	GZUXZRSXLFTIBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141446
c1(CN(c2c(OC)ccc(Cl)c2)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	ZINC22_16955235,MCULE-1414292603,CoCoCo_2580270,EMOLS-id_10085942,PC-id_27443774	460.356	VSANDMQQEZQOEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141447
c1(nnc2CCCCCn12)N(Cc1ccccc1OC)C(=O)Nc1ccc(c(Cl)c1)Cl	MCULE-2628294570,ZINC22_16769795,PC-id_4752615	460.356	UATXUQVZBWSHSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141448
c1(nnc2CCCCCn12)N(Cc1cc(Cl)ccc1OC)C(=O)Nc1ccc(cc1)Cl	MCULE-2957124431,PC-id_4752699,ZINC22_16769837	460.356	NYMZLAPVXDQNOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141449
COc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(Cl)c(Cl)c1	PC-id_16458774,MCULE-5536515920,ZINC22_28527828,CoCoCo_6601949	460.356	FVPZNVKSLXXQBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141450
COc1ccc(Cl)cc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(Cl)cc1	CoCoCo_6602096,PC-id_16458798,MCULE-5482651278,ZINC22_28527884	460.356	AIQYMMRHYYSKHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141451
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)cc2)cc1Cl	MCULE-1749493178,CoCoCo_6602947,ZINC22_28535278,PC-id_16459193	460.356	TYLMTEIBQFVLBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141452
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	CoCoCo_6600907,PC-id_16458655,ZINC22_28527501,MCULE-2868441139	460.356	BQNNCTLFPZJBQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141453
CCCCCCCCNc1nc(=O)c2c(nc(Br)n2Cc2ccccc2)c(=O)[nH]1	CHEMBL200900,PC-id_11619540	460.367	UCPAYSLMKGWMSF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-141454
CCNCCN1CCCc2c(C1O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(Br)cn2	PC-id_145511604	460.367	RCDXMDHIGXBZIV-GDNBJRDFSA-N	00000010100000100100000000001010000000000000000000000000	31-01-141455
[B]c1cc2c(cc1)NC(=O)C2=Cc1c(c2c([nH]1)CCCN(C2=O)CCCN(C)CCOCC)C	PC-id_89099108	460.376	PHTKGZBUZDHBCS-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-141456
Clc1c(c2noc(c2C(=O)Nc2sc3CCCCCCc3c2C#N)C)c(Cl)ccc1	PC-id_4158807	460.376	GVDKTTHOFRJHGC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141457
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)Nc2ncccc2)ccc(Cl)c1	PC-id_76328463	460.376	GUYYRZRKFKBCLU-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-141458
O=C(Nc1nc2c(s1)CCCCC2)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl	EMOLS-id_18828561,CoCoCo_4546178,ZINC22_12755819,MCULE-4298957150,PC-id_24611844	460.398	FOQYYWJFVHIPLH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-141459
CO/C=C/C=C(/C(NCCC1(CC)N/C=C/C=C(C=C\n2c1ccc2)/Br)O)C=C	PC-id_144114152	460.407	CCCIVDUCZJFPBK-ZPRFFVGMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-141460
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nc2c1cc(OC(F)F)cc2	PC-id_19523803	460.421	ROPRECHRQLCPLF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141461
C(C(F)(F)F)(C(F)(F)F)(NC(=O)C(C)C)Nc1sc2c(CCCCC2)c1C(=O)OC	CoCoCo_1823490,EMOLS-id_8219316,SPECS-id_AG-389/14049012,MCULE-8411018958,ZINC22_8445233,PC-id_3556053	460.434	LZSTTXHHGMSXIG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-141462
CNCCc1c(C)n(c2=CCC(=CC(=c12)Cl)Cl)CC(=O)Nc1cccc(c1)C(C)(C)C	PC-id_142130764	460.439	RJHTZXKIPQQCRB-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-141463
C1CN(CCC1CN1CCn2cc(nc2OCC1)[N+](=O)[O-])C(=O)Oc1ccc(cc1)[N+](=O)[O-]	PC-id_89580290,SCHEMBL14965946	460.441	OMJZHDIZPTZEEW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141464
O1CCN(CC2CC(N(CC2)C(=O)O)c2ccc([N+](=O)[O-])cc2)CCn2c1nc([N+](=O)[O-])c2	PC-id_71570304	460.441	RWJJTPDBGXZPTA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141465
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1ccc(NC(=O)c2nn(cc2)C)cc1	PC-id_19523822	460.452	REJXMGGNESQEPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141466
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cc(NC(=O)c2nn(cc2)C)ccc1	PC-id_19523823	460.452	BLCAFQDEXNCQOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141467
FC(F)(F)Oc1ccc(CN2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)cc1	PC-id_45166594	460.452	WUKLVTJMIMKDPI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141468
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(OC(F)(F)F)cccc2)cc1	PC-id_56981508	460.469	YHZLQUXECAGCIG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141469
CCOC(=O)c1cc2c([nH]1)C(=CN(CC2(C)C)C(=O)c1ccc(c(c1)F)F)C(=O)OC(C)C	PC-id_11397010,SCHEMBL1654387	460.47	UECMFNQUJCCQOC-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-141470
Fc1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)c(F)ccc1F	PC-id_42472611	460.472	WTAGFPOMUQQLLP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141471
FC(F)(F)c1c(C[NH+]2CCn3c(nnc3CNC(=O)COc3ccccc3)CC2)cccc1	PC-id_42237790	460.472	BFOLLUUHLHGUBU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141472
CCC(=Nc1cc(ccc1C)NC(=O)Nc1c(F)cccc1F)c1c(=O)[nH]c2-c1ccccc2	PC-id_144080583	460.475	BQGHJSURXKRVII-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141473
CCCON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)OC(=O)C	PC-id_139910143	460.477	NKWXUFFTKFZBAZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141474
CCOC(=O)c1c2-c(ccc(cc2)CC(=O)NOC(C)C(=O)OCC)c(c1N)C(=O)OCC	SCHEMBL8165465,PC-id_88258335	460.477	YKVLUUUMBQJALJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141475
CCOC(=O)CCONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	PC-id_23296715,SCHEMBL8165459	460.477	SQCMGJHLTAXQTP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141476
CCOC(=O)CON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)C	PC-id_23296763,SCHEMBL8164243	460.477	LLPWFBZYZVSUJO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141477
COCN(C(=O)OCC)C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	SCHEMBL8164235,PC-id_54127221	460.477	NRVCNWCVJRWNAY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141478
s1c2c(CCCCC2)c(c1NC(=O)C1CN(C(=O)C1)c1cc([N+](=O)[O-])c(F)cc1)C(=O)N	PC-id_55571394	460.479	WVYVMFNCKMUYLF-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-141479
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)C#N)[N+](=O)[O-]	PC-id_89580011,SCHEMBL14965561	460.485	FDYXYZVWISZVBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141480
O=C(c1n(C)cc2c1CCC(NS2(=O)=O)(C)Cc1cccnc1)Nc1ccc(c(c1)F)F	SCHEMBL18352880	460.497	NDBMCOBTGGMJNN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141481
Fc1c(NC(=O)CCN2CCOCC2)cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55784488	460.502	XTRPCBCEMLHIRL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141482
Fc1ccc(c2ncn(c2NC(=O)Cn2nc3n(CCCCC3)c2=O)Cc2ccccc2)cc1	PC-id_56341414	460.503	PVMAEXVSXVAFET-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141483
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1F)C(F)(F)F)C(=O)OCC	PC-id_20409589	460.509	GVMZKLPNAOUREL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141484
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1F)C(F)(F)F)C(=O)OC	PC-id_20409582	460.509	HGCDSODTLRAVFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141485
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(F)c(F)cc(F)c1F)C(=O)OCC	PC-id_20413341	460.509	SUEWTWOIJHODKD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141486
CO[C@H]1CN(CC(c2c([C@@H]1OC)n(nn2)C(C)(C)C)(F)F)C(=O)CCC(=O)OC(C)(C)C	PC-id_118284573,SCHEMBL16980295	460.515	AWNVGYUWEVTKFX-SUMWQHHRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141487
O(C(=O)c1cc(C(c2c3-c(c(c2)C(=O)OC)ccccc3)c2ccccc2)c2-c1ccccc2)C	PC-id_15732054	460.52	ILNMHWDXJCHQCW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141488
Fc1cc(CC(=O)NCc2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)c2occc2)ccc1	PC-id_42424611	460.523	NBBNLSDDHADEAI-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-141489
COc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(C1=O)Cc1nc2c([nH]1)c(=O)cccc2	PC-id_71488232,SCHEMBL14603754,BindingDB_PC-id_71488232	460.525	NVYDBKBQXGPVQD-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-141490
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(C1=O)Cc1nc2c([nH]1)c(=O)cccc2	PC-id_71488288,SCHEMBL14603621,BindingDB_PC-id_71488288	460.525	NVYDBKBQXGPVQD-OAQYLSRUSA-N	00000010100010110111100000000010000000000000000000000000	31-01-141491
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(C1=O)Cc1nc2c([nH]1)c(=O)cccc2	SCHEMBL14603576,BindingDB_PC-id_71488287,PC-id_71488287	460.525	NVYDBKBQXGPVQD-NRFANRHFSA-N	00000010100010110111100000000010000000000000000000000000	31-01-141492
s1c2c(CCCCC2)c(c1NC(=O)c1scc(Cn2ncc([N+](=O)[O-])c2)c1)C(=O)OC	PC-id_19494910	460.527	CZNMMWDXNVUQMT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-141493
s1c2c(CCCCC2)c(c1NC(=O)c1scc(Cn2nc([N+](=O)[O-])cc2)c1)C(=O)OC	PC-id_19496701	460.527	QKWDVTRQRQVVKJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-141494
Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@H](C(=O)NCc1ccncc1)C	PC-id_92986959	460.528	SBQSFLJLZFNNKC-SFHVURJKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141495
Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@@H](C(=O)NCc1ccncc1)C	PC-id_92986960	460.528	SBQSFLJLZFNNKC-GOSISDBHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141496
CC(NC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1)C(=O)NCc1ccncc1	PC-id_46049992,EMOLS-id_25388958,MCULE-5290402835	460.528	SBQSFLJLZFNNKC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141497
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1cccnc1)Cc1cc(ccc1)C	MCULE-5786843734,EMOLS-id_44634014,PC-id_46159928	460.528	QLQHDWYNKDTTKR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141498
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1cccnc1)Cc1ccc(cc1)C	PC-id_42854981	460.528	WARBDKILASHFJY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141499
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)NCc1cccnc1)Cc1c(cccc1)C	PC-id_42855006	460.528	BVLIHZHCRSZYTN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141500
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1cccnc1)Cc1c(cccc1)C	PC-id_46049785	460.528	QJYLGSZWBJZNPJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141501
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)NCc1cccnc1)Cc1cc(ccc1)C	PC-id_46159920	460.528	PWZRMWBJIYATMY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141502
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1ccncc1)Cc1ccc(cc1)C	PC-id_46049981	460.528	ZWSMKCSWILXCMT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141503
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1ccncc1)Cc1cc(ccc1)C	PC-id_46050029	460.528	QHLOKGHGVFWYCI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141504
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1ccncc1)Cc1c(cccc1)C	PC-id_46050062	460.528	LKHHBBLXKWSZQI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141505
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1ncccc1)Cc1ccc(cc1)C	PC-id_42854980	460.528	LLURMVDFZUTWFS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141506
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1ncccc1)Cc1cc(ccc1)C	PC-id_42855001	460.528	FUKGLINYWVXMQU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141507
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1ncccc1)Cc1c(cccc1)C	PC-id_42855030	460.528	RVAUHTRIQMWVEU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141508
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)NCc1ncccc1)Cc1cc(ccc1)C	PC-id_46049719	460.528	AJFIKSDIMQJEOP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141509
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)NCc1ncccc1)Cc1ccc(cc1)C	PC-id_46159909	460.528	ZYHBDJSDCFJCMR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141510
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)NCc1ncccc1)Cc1c(cccc1)C	PC-id_46159932	460.528	NYHQSWRDFRARHQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141511
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1cccnc1)C)Cc1cc(ccc1)C	PC-id_46159926	460.528	VCAMJQIHEOWZKJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141512
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1cccnc1)C)Cc1c(cccc1)C	PC-id_46159938	460.528	QDPOTLCGBCSAFW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141513
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1ccncc1)C)Cc1cc(ccc1)C	PC-id_46050004	460.528	UUCWWFIVPWNSLY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141514
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1ccncc1)C)Cc1c(cccc1)C	PC-id_46050041	460.528	OUTCZJBEYUQJEF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141515
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCc1ccncc1)C)Cc1ccc(cc1)C	PC-id_46159972	460.528	LUFMQDKHLNCXIW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141516
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1ccncc1)C)Cc1ccc(cc1)C	PC-id_46159978	460.528	RFLMWGKHGRQESG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141517
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCc1ccncc1)C)Cc1c(cccc1)C	PC-id_46159989	460.528	WDFPYUSWUVZJQV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141518
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1ncccc1)C)Cc1cc(ccc1)C	PC-id_46049732,EMOLS-id_25388068,MCULE-5892120715	460.528	IKIKHYQWSXTVRA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141519
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1ncccc1)C)Cc1ccc(cc1)C	PC-id_46159913	460.528	CBDBEAQZWAXCNH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141520
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1ncccc1)C)Cc1c(cccc1)C	PC-id_46159937	460.528	PCBNFLIZPYSKGN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141521
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCc1ncccc1)C)Cc1ccccc1	PC-id_46159954	460.528	WJKYCDAQIGOHDW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141522
O=C(c1ccccc1)c1ccc(N2CCN(Cc3nnc4n3CCCCC4)CC2)c([N+](=O)[O-])c1	CoCoCo_4469850,MCULE-6624336297,EMOLS-id_11945889,PC-id_17552049,CoCoCo_4469851,ZINC22_24529129	460.528	IAGNEXAIFOLXFJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141523
c1(NC(=O)COC(=O)c2ccc(c(N)c2)OC)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_53270052,MCULE-8817933156	460.543	XWOUEBRYCOTWBT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141524
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1)C#N	PC-id_45618860	460.545	ZUWJMMYQIBEAAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141525
CC1CCn2c(nc(n2)Nc2cc(c(cc2)n2cc(nc2)C)OC)C(C1)C=C1CC=C(C=C1)F	PC-id_91583315	460.546	YNARRZTXYMAUJK-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-141526
s1c2c(CCCCC2)c(c1NC(=O)CSc1[n+]([nH]oc1=O)c1ccccc1)C(=O)OC	PC-id_53292312	460.546	YLHXBBYQJXNODW-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-141527
c1(C(=O)N2CCOCC2)nn(c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1)C	PC-id_19615315,EMOLS-id_8870525,ZINC22_36612416,MCULE-8977894842,TIMTEC271924	460.547	KSWRPRHVHIEEOM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141528
C[C@@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25660545,ZINC22_13000315,CoCoCo_4183411	460.547	LSLLXEMBFVZHSU-CYBMUJFWSA-N	00000010100000000101000000000010000000000000000000000000	31-01-141529
C[C@H](OC(=O)CCCN1C(=O)NC(C)(C)C1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_13000316,PC-id_25660546,CoCoCo_4183412	460.547	LSLLXEMBFVZHSU-ZDUSSCGKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-141530
N#Cc1c(NC(=O)C(OC(=O)CCCN2C(=O)NC(C2=O)(C)C)C)sc2c1CCCCC2	PC-id_45355517,MCULE-5385275498,EMOLS-id_16700846	460.547	LSLLXEMBFVZHSU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-141531
O1C(CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1OC	PC-id_74803255	460.547	FZYJMMQLQZNJSZ-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-141532
O1[C@@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1OC	PC-id_42435179	460.547	FZYJMMQLQZNJSZ-SFHVURJKSA-O	00000010100000110101000000000010000000000000000000000000	31-01-141533
O1[C@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1OC	PC-id_42435181	460.547	FZYJMMQLQZNJSZ-GOSISDBHSA-O	00000010100000110101000000000010000000000000000000000000	31-01-141534
O=C(NC(C(=O)NC1Cc2cnc(s2)CCNC(C1=O)O)C(C)C)OCc1ccccc1	PC-id_138730679,SCHEMBL21109836	460.547	ZRUWJYIDMNLTAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141535
O=C(NC(C(=O)NC1Cc2ncc(s2)CCNC(C1=O)O)C(C)C)OCc1ccccc1	PC-id_138730439,SCHEMBL21109594	460.547	ANMKWUONJYXKGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141536
COc1cc(ccc1C(=O)Nc1cccc2c1nc([nH]2)C)C(=O)N1CCCCc2c1ccs2	SCHEMBL7014029,PC-id_18378549	460.548	MEYZIJOAZVUJGH-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-141537
s1c2c(CCCCC2)c(c1NC(=O)CSc1n2c(cc([O-])nc2nn1)C)C(=O)OCC	PC-id_51551704	460.55	DGJUPCNNXYKLKF-UHFFFAOYSA-M	00000000100000100101000001000010000000000000000000000000	31-01-141538
S(=O)(=O)(N1CCN(CC1)C(=O)C)c1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_24646559	460.55	OASVEEVMKLOBRU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141539
CNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)O)CCCCc1ccc2-c1ccccc2)Cc1ccccc1	SCHEMBL8481604,PC-id_18395277	460.565	FHNNYAPUMQNSQZ-NOZRDPDXSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141540
O=C(NC(Cc1ccccc1)C(=O)NC)C(CCCCc1c2-c(cc1)ccccc2)CC(=O)O	PC-id_19606558	460.565	FHNNYAPUMQNSQZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141541
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(ccc(S(=O)(=O)C)c1)C)C)C#N	PC-id_55423941	460.566	MDIPTKLJALULQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141542
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(cc1)C)C#N	PC-id_16495910	460.566	MQCWAPOBUVKIOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141543
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)c1ccc(cc1)C(=O)OC)C(=O)OCC	PC-id_23905802	460.566	GKFUVPSHNDENRK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141544
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OCCCC)c2)Cc1ccc(cc1)C	PC-id_16028421,CHEMBL1440562,EMOLS-id_24406142,MCULE-7146347461,CoCoCo_2544564	460.568	LXXFEJUXBVSTDS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141545
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OCCCC)c2)Cc1cccc(C)c1	PC-id_53034593,MCULE-9928562572,EMOLS-id_32633256	460.568	SZXMNUSMKTXSCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141546
O(Cn1c2c(nc1NC)CCN(C(=O)/C/2=C/c1cc(c(OC)c(c1)C)C)C)Cc1ccccc1	PC-id_49836962	460.568	GQYSZSAMTRAAGN-PXLXIMEGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141547
O(Cn1c2c(nc1NC)CCN(C(=O)C2=Cc1cc(c(OC)c(c1)C)C)C)Cc1ccccc1	PC-id_75300202	460.568	GQYSZSAMTRAAGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141548
s1c2CCCCCc2cc1C(=O)NNC(=O)c1sc2nc(nc(OC)c2c1C)COC	PC-id_55463368	460.57	JHNNMBMTNRCBQD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141549
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1occc1)C(=O)OC	PC-id_19724210	460.57	QXSHBIKAWHZJAH-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-141550
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)C)C(=O)OC	PC-id_19726065	460.57	TZBJLJXCQDQODR-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-141551
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1occc1)C)C(=O)OCC	PC-id_19724192	460.57	AYZKFOLGCSCUPS-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-141552
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1	PC-id_35431510	460.57	JLQSHWBDACUQRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141553
s1c2CCCCCCc2cc1C(=O)NNC(=O)CN(S(=O)(=O)c1ccc(cc1)C#N)C	PC-id_32879596	460.57	GNSLQPJAERCUIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141554
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1occc1)C)C(=O)OC	PC-id_19724174	460.57	GLRKIIDFCSBRDA-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-141555
C1COCCC1CN1CCNc2c(C1=O)n(c(n2)CNCc1cnccc1)Cc1ccccc1	PC-id_134810736	460.571	VYYWDYWVCVHGDR-UHFFFAOYSA-N	00000000100010111101000000000010000000000000000000000000	31-01-141556
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccc(NC(=O)C)cc3)CCn12	ChEMBL-DNDi_CHEMBL37705781,MCULE-3967028232,EMOLS-id_20546895,PC-id_45204189	460.571	RQDDYBFKTPYUQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141557
CC(=O)Nc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	PC-id_42451940,CoCoCo_1338987,ZINC22_12190900,CoCoCo_1338986	460.571	RQDDYBFKTPYUQV-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141558
CC(=O)Nc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	PC-id_42451942,CoCoCo_1338988,ZINC22_12190901,CoCoCo_1338989	460.571	RQDDYBFKTPYUQV-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141559
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(CCn12)C(=O)c1csc(SC)n1	PC-id_45233877,EMOLS-id_20672641,MCULE-8213884799	460.573	VEYZPODJMZWVAF-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-141560
CSc1nc(C(=O)N2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cs1	ZINC22_12079672	460.573	VEYZPODJMZWVAF-INIZCTEOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-141561
CSc1nc(C(=O)N2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cs1	ZINC22_12079673	460.573	VEYZPODJMZWVAF-MRXNPFEDSA-N	00000000101000000101000000000010000000000000000000000000	31-01-141562
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnc3n2CCCCC3)CC1	EMOLS-id_11756182,CoCoCo_4054295,MCULE-2464763809,ZINC22_9792697,PC-id_16322672	460.573	KGRIXEGYGNLOPJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141563
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCCCC2)c1C(=O)NC	PC-id_18561011,MCULE-8771398426,ZINC22_9599764,CoCoCo_5058694,EMOLS-id_5523569	460.586	SSSHCGMINGFLCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141564
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_906615,SPECS-id_AK-968/13031308,MCULE-7479766694,TIMTEC257251,ZINC22_671623,EMOLS-id_2201780,PC-id_1011126	460.586	KCPKKCJFZOQDBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141565
CC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccccc1)S(=O)(=O)[O-])C	GD-id_ZINC13826320	460.586	GXGQFLLIIBYTKY-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-141566
CC(c1ccc2-c(cc1)c(cc2CCCCS(=O)(=O)Nc1ccccc1)S(=O)(=O)[O-])C	PC-id_91934742,BindingDB_PC-id_91934742,GD-id_ZINC29409738	460.586	UEICQRZVDMOZOW-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-141567
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)ccn2Cc1ccccc1	PC-id_22737901,SCHEMBL6779374	460.586	RRTRKKPGHUAOPK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141568
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)cn(c2)Cc1ccccc1	SCHEMBL6779377,PC-id_22738083	460.586	ZHBYKRJHBHWHIU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141569
Cc1cc2c(cc1/C=N/c1sc3c(c1C(=O)Nc1ccccc1C)CCCCCC3)OCO2	ZINC22_409020156	460.588	ZPBNHTZJNIICQI-RWPZCVJISA-N	00000010100000110101000000001010000000000000000000000000	31-01-141570
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc4c(c3)OCO4)sc3c2CCCCCC3)c1	ZINC22_409011474	460.588	FOXJWOMEQXIZJB-RWPZCVJISA-N	00000010100000110101000000001010000000000000000000000000	31-01-141571
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc4c(c3)OCO4)sc3c2CCCCCC3)c1	ZINC22_409013663	460.588	LFWAINWZGNRSHZ-RWPZCVJISA-N	00000010100000110101000000001010000000000000000000000000	31-01-141572
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(C(=O)O)cc3)sc3c2CCCCCC3)c1	ZINC22_409014113	460.588	MDODZBSVTXHLAR-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-141573
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(C(=O)O)cc3)sc3c2CCCCCC3)c1	ZINC22_409017574	460.588	SGVXSCVLRNKNAG-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-141574
Cc1cccc(NC(=O)c2c(/N=C/c3cc4c(cc3C)OCO4)sc3c2CCCCCC3)c1	ZINC22_409012116	460.588	HPLVLFQHBTVMQF-RWPZCVJISA-N	00000010100000110101000000001010000000000000000000000000	31-01-141575
Cc1cccc(NC(=O)c2c(/N=C/c3ccc4c(c3)OCO4)sc3c2CCCCCC3)c1C	ZINC22_409014617	460.588	NIVUASFDSLRINS-RWPZCVJISA-N	00000010100000110101000000001010000000000000000000000000	31-01-141576
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(C(=O)O)cc3)sc3c2CCCCCC3)c1C	ZINC22_409019080	460.588	VQPJEHGQXTVGEM-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-141577
Cc1ccc(NC(=O)c2c(/N=C/c3cc4c(cc3C)OCO4)sc3c2CCCCCC3)cc1	ZINC22_409020086	460.588	ZCZIROYDWNKQOU-RWPZCVJISA-N	00000010100000110101000000001010000000000000000000000000	31-01-141578
Cc1ccc(NC(=O)c2c(/N=C/c3ccc4c(c3)OCO4)sc3c2CCCCCC3)cc1C	ZINC22_409017510	460.588	RVUAPDWGPXAKKD-RWPZCVJISA-N	00000010100000110101000000001010000000000000000000000000	31-01-141579
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(C(=O)O)cc3)sc3c2CCCCCC3)cc1C	ZINC22_409020146	460.588	ZOPCWCDLVVWBPC-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-141580
CCOC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408972302	460.588	PAZRZEZDHBOKFS-MTDXEUNCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141581
COc1ccccc1N1CCN(CC1)CCCCn1cc2c(c1)S(=O)(=O)N(CCC2=O)C	PC-id_9890461,SCHEMBL6830378	460.59	CTRIWCFSSMKLJL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141582
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COC)CC(C)C)CC2)ccc1OC)CC	PC-id_42237359	460.59	ZVQUUQSSJSNPHD-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141583
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COC)CC(C)C)CC2)ccc1OC)CC	PC-id_42237360	460.59	ZVQUUQSSJSNPHD-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-141584
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)COC)CC(C)C)CC2)ccc1OC)CC	PC-id_74784655	460.59	ZVQUUQSSJSNPHD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141585
S1(=O)(=O)N(CCC(=O)c2c1cn(C(N1CCN(CC1)c1c(OC)cccc1)CCC)c2)C	PC-id_20730238	460.59	XCAPCEPCXRNTNR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141586
C=CCOc1ccccc1C[N@H+]1CCc2n(CC1)c(nn2)[C@@H](NC(=O)CCc1ccccc1)C	PC-id_26346512,GD-id_ZINC14991558	460.591	HJCSGCIPUDGUJL-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141587
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)cccc1)CC=C	PC-id_26346509	460.591	HJCSGCIPUDGUJL-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141588
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cccc1)CC=C	PC-id_74498982	460.591	HJCSGCIPUDGUJL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141589
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1c(OC)cccc1)C)CCc1ccccc1	PC-id_74807328	460.591	XXEWGWZQXQRBLC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141590
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1cc(OCc2ccccc2)ccc1)C1CCC1	PC-id_42274016	460.591	KVKZLRCQCASESE-UHFFFAOYSA-O	00001000100000110101000000000010000000000000000000000000	31-01-141591
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)C)CCc1ccccc1	PC-id_42482394	460.591	XXEWGWZQXQRBLC-NBILRRPASA-O	00000000100000110101000000000010000000000000000000000000	31-01-141592
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1c(OC)cccc1)C)CCc1ccccc1	PC-id_42482396	460.591	XXEWGWZQXQRBLC-HSRJRILOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141593
c1(C(CC(C)C)NC(=O)CCOC)nnc2CCN(C(=O)CSc3ccccn3)CCn12	EMOLS-id_20636479,MCULE-1049665932,PC-id_45225269	460.593	LZHQQJKSCNZEEF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-141594
CC(CC(c1nnc2n1CCN(CC2)C(=O)c1ccc(s1)C(=O)C)NC(=O)CN(C)C)C	ChEMBL-DNDi_CHEMBL34818938,PC-id_45201162	460.593	WIAPDFKYIGSTGH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-141595
CC(C[C@@H](c1nnc2n1CCN(CC2)C(=O)c1ccc(s1)C(=O)C)NC(=O)CN(C)C)C	CoCoCo_1319874	460.593	WIAPDFKYIGSTGH-INIZCTEOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-141596
CC(C[C@H](c1nnc2n1CCN(CC2)C(=O)c1ccc(s1)C(=O)C)NC(=O)CN(C)C)C	CoCoCo_1319875	460.593	WIAPDFKYIGSTGH-MRXNPFEDSA-N	00000000100100000101000000000010000000000000000000000000	31-01-141597
COCCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)CSc1ccccn1)CC2	CoCoCo_1473279,PC-id_26332658,ZINC22_14976625	460.593	LZHQQJKSCNZEEF-KRWDZBQOSA-N	00000000100000101101000000000010000000000000000000000000	31-01-141598
COCCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C(=O)CSc1ccccn1)CC2	CoCoCo_1473280,ZINC22_14976628,PC-id_26332659	460.593	LZHQQJKSCNZEEF-QGZVFWFLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-141599
O=C/C=C/N=C(/N=C/1N=CNn2c(C1)c(C)c(c2)OCCCN1CCC(CC1)CO)SC	PC-id_143389767	460.593	CNDVZKMTEJFYBS-XVNBXDOJSA-N	00000000100010000111000000000010000000000000000000000000	31-01-141600
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1sc2nc(sc2c1)N(C)C)C#N	PC-id_56079555	460.593	RSTGVTXBKMEEPI-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-141601
S(=O)(=O)(N1CCN(CC1)CC(=O)NCCc1n2CCCCCc2nn1)c1ccc(cc1)C	PC-id_52673255	460.593	JTCCCWGCDJFIKM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141602
CO[C@H]1C[C@](C)(CCC=C(C)C)[C@H](c2c([C@@]1(CO)OC)oc(c2)C)/C=C/OC(=O)C=C(C)C	UNPD69535,PC-id_11102578	460.603	HCEAWAJJMTWPSQ-XRQKBPBSSA-N	00000000100000000100000000000010000000000000000000000000	31-01-141603
O=C(O/C=C/C1c2cc(oc2C(OC)(CO)C(OC)CC1(C)CCC=C(C)C)C)C=C(C)C	PC-id_85399633,CNP0104732	460.603	HCEAWAJJMTWPSQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-141604
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCC2	GD-id_ZINC02754669,PC-id_40436380	460.606	FDJLMPBQEBOIHT-QZTJIDSGSA-M	00000000100011000100000000000010000000000000000000000000	31-01-141605
s1c2c(CCCCCCCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_73130459	460.606	FDJLMPBQEBOIHT-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-141606
s1c2c(CCCCCCCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_11863988	460.606	FDJLMPBQEBOIHT-ZWKOTPCHSA-M	00000000100011000100000000000010000000000000000000000000	31-01-141607
s1c2c(CCCCCCCCCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_40436382	460.606	FDJLMPBQEBOIHT-MSOLQXFVSA-M	00000000100011000100000000000010000000000000000000000000	31-01-141608
s1c2c(CCCCCCCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_7027734	460.606	FDJLMPBQEBOIHT-ROUUACIJSA-M	00000000100011000100000000000010000000000000000000000000	31-01-141609
C(c1c2-c(c(c1)C=Cc1ccccc1)ccccc2)(c1c2-c(cc1)ccccc2)Cc1ccccc1	PC-id_71376496	460.608	JZWMKGNVPUHSFE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141610
CCC1=c2c(=CCC=C1)n(cc2S(=O)(=O)NCC1CCOCC1)S(=O)c1ccccc1	PC-id_143675656	460.609	KMXRHNWTWBVSFZ-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-141611
CCCCC(Cn1c(=O)n(c2=CCC=C(CC=c12)OC)C(=O)N[C@@H](C(C)(C)C)C(=O)N)CC	PC-id_143642102	460.609	JJJWJQVKIMACGX-FBLFFUNLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-141612
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCCC4)CC2)cc1	EMOLS-id_11935891,ZINC22_8876666,CoCoCo_3254853,MCULE-9956260522,PC-id_17411181	460.609	CEONHJGYKHECIF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141613
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(SC(C)C)cc1)C(=O)NC(=O)OCC	PC-id_41147732	460.609	GIKNNWYBABMKBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141614
s1c2c(CCCCC2)c(c1NC(=O)c1cc(SC(C)C)ccc1)C(=O)NC(=O)OCC	PC-id_41147201	460.609	UWZNVMDZZGTRLJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141615
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(SCC)cc1)C(=O)NC(=O)OCC	PC-id_41139521	460.609	HCFWJYGWIDGODJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141616
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(SC(C)C)cc1)C(=O)NC(=O)OC	PC-id_16838857	460.609	ATIQOPLSXXMWEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141617
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(cc1)C)C(=O)NC(=O)OC	PC-id_41086305	460.609	MRWXJAYUZXSUHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141618
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccccc1)C(=O)NC(=O)OCC	PC-id_41085977	460.609	MAXYFHSGQBNLKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141619
s1c2c(CCCCC2)c(c1NC(=O)CCCSCc1ccccc1)C(=O)NC(=O)OC	PC-id_41581282	460.609	YSQMXGCRSLFLGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141620
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C)ccc1)CC)C(=O)OC	PC-id_18908777	460.609	QZDSOACQEWNZGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141621
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C)ccc1)C)C(=O)OCC	PC-id_18908712	460.609	NYAPXJJAFPNUHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141622
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CCC)ccc1)C(=O)OC	PC-id_18909008	460.609	XQKWDCPZBWTZEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141623
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OCCCC)C(=O)OC	PC-id_20414017	460.609	GYDPLIBQZLZPQD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141624
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OCCC)C(=O)OCC	PC-id_20413941	460.609	HWCXMYMORFULSC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141625
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OC(C)C)C(=O)OCC	PC-id_20414099	460.609	BNACKISRMMMLKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141626
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C)ccc1)C)C(=O)OC	PC-id_18908713	460.609	RLYDSIABXRHJME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141627
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C)ccc1)C(=O)OCC	PC-id_18908747	460.609	OCUSBJCSPUYORM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141628
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OCCC)C(=O)OC	PC-id_20413934	460.609	IJIUDJNOWLMVIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141629
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OC(C)C)C(=O)OC	PC-id_20414092	460.609	WOZICQVXQCCVSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141630
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)OCC)C(=O)OCC	PC-id_19687826	460.609	BWYKNONBZRDVQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141631
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)OC)C)C(=O)OCC	PC-id_20412755	460.609	BYDVXNIVWJOOSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141632
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OCC)C(=O)OCC	PC-id_20413852	460.609	MDBRRCFIFOYBDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141633
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cccc1)C(=O)OCC)C(=O)OCC	PC-id_20415528	460.609	ZYFHCNWOPRWLQU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141634
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1cc2OCOc2cc1)C)C(=O)OCC	PC-id_20408571	460.609	PBXDNHWKEUXJRO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-141635
C1CCCc2c(CC1)nc(s2)NC(=O)CCCCCN=C1c2ccccc2S(=O)(=O)N1	PC-id_136045747	460.613	LJXYOIJASSOVQX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-141636
CC([C@H](c1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)C#CC(O)(C)C)NS(=O)(=O)C)C	PC-id_42397955,GD-id_ZINC12079215	460.613	JAJXYEZHBZDBQI-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141637
CNC(=O)[C@H](C(C)(C)C)NC(=O)Cc1nc(n2c1CN(C)CCC2)/C=C/CN1CCOCC1	PC-id_140244793	460.613	UDAPBLWSMPWKBG-XOPAWIAISA-N	00000000100010000101000000000010000000000000000000000000	31-01-141638
N(C(c1c2-c(nc1NC(C)C)ccccc2)c1ccccc1)(C(C)C)c1nc2-c(c1)ccccc2	PC-id_10671664	460.613	XIZDRMJETMWYSR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141639
s1c2CCCCCc2c(c1NC(=O)CCN(C(c1cc(S(=O)(=O)N)ccc1)C)C)C#N	PC-id_75978471	460.613	LSBMHBOVLMKJQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141640
s1c2CCCCCc2c(c1NC(=O)CCN([C@H](c1cc(S(=O)(=O)N)ccc1)C)C)C#N	PC-id_52881333	460.613	LSBMHBOVLMKJQE-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141641
s1c2CCCCCc2c(c1NC(=O)CCN([C@@H](c1cc(S(=O)(=O)N)ccc1)C)C)C#N	PC-id_52881335	460.613	LSBMHBOVLMKJQE-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141642
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)CC(=O)N1CCOCC1)C#N	PC-id_51624629	460.613	PBIXTSUHLTZUIF-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-141643
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)CC(=O)N1CCOCC1)C)C#N	PC-id_30628430	460.613	QQGZPHBSVAXAFL-KRWDZBQOSA-O	00000000100010000101000000000010000000000000000000000000	31-01-141644
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)CC(=O)N1CCOCC1)C)C#N	PC-id_30628438	460.613	QQGZPHBSVAXAFL-QGZVFWFLSA-O	00000000100010000101000000000010000000000000000000000000	31-01-141645
s1c2c(CCCCC2)c(c1NC(=O)C(N1CC[NH+](CC1)CC(=O)N1CCOCC1)C)C#N	PC-id_85473507	460.613	QQGZPHBSVAXAFL-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-141646
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)CC=C)C(=O)OCC	PC-id_19726985	460.613	LLVOOGPESNSGPX-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-141647
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CC1)CC=C)C(=O)OC	PC-id_19726895	460.613	XJBMATNLILXFTG-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-141648
S(CC(=O)N1CC[NH+](CC1)Cc1c(cc(OC)c(OC)c1)C)c1n2CCCCCc2nn1	PC-id_41367966	460.613	CSTTVNUNNKALPW-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-141649
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C#CC(O)(C)C)C(C)C)C	PC-id_74794871	460.613	JAJXYEZHBZDBQI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141650
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C#CC(O)(C)C)C(C)C)C	PC-id_42397957	460.613	JAJXYEZHBZDBQI-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141651
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3cccc(C)n3)CCn12	MCULE-9166506646,PC-id_45211574,EMOLS-id_20578687	460.614	UCEQJTKYUAECDX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141652
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(cc3)N(C)c3ccccc3)CCn12	EMOLS-id_20577291,PC-id_45211250,MCULE-3822742438	460.614	IMRIJCFMZBNTDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141653
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3ccc(cc3)CC(C)C)CCn12	MCULE-8431544811,PC-id_45199624,EMOLS-id_20526995	460.614	ATYIVIIOJOCBFP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141654
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(cc3)N(C)c3ccccc3)CCn12	PC-id_45200886,EMOLS-id_20532431,MCULE-9332153080	460.614	RADLQFIFSDMRQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141655
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3ccc(cc3)N(CC)CC)CCn12	ChEMBL-DNDi_CHEMBL22262504,MCULE-9770167655,EMOLS-id_20469937,PC-id_45186653	460.614	DYDIILBWWQPBGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141656
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cccc(C)n2)CC3)c1	CoCoCo_1386501,PC-id_31018782,ZINC22_23340436,CoCoCo_1386502	460.614	UCEQJTKYUAECDX-DEOSSOPVSA-N	00000000100000111101000000000010000000000000000000000000	31-01-141657
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cccc(C)n2)CC3)c1	ZINC22_23340435,CoCoCo_1386500,CoCoCo_1386499,PC-id_31018781	460.614	UCEQJTKYUAECDX-XMMPIXPASA-N	00000000100000111101000000000010000000000000000000000000	31-01-141658
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CC(C)Cc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1	PC-id_29208984,CoCoCo_1310403,CoCoCo_1310402,ZINC22_20906136	460.614	ATYIVIIOJOCBFP-RUZDIDTESA-N	00000000100000111101000000000010000000000000000000000000	31-01-141660
C=C/C=C(/C[C@@H]1CNc2c(C(=NCCN3CCOCC3)N1)nn(c2)CCc1ccccc1)C=C	PC-id_144019185	460.614	QTXCUTLEPDWBHG-XYJQQZIGSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141661
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2)C(C)C	CoCoCo_1318093,CoCoCo_1318092,PC-id_42423877,ZINC22_12132863	460.614	RADLQFIFSDMRQZ-AREMUKBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141662
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2)C(C)C	CoCoCo_1318094,PC-id_42423873,ZINC22_12132855,CoCoCo_1318095	460.614	RADLQFIFSDMRQZ-SANMLTNESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141663
CCN(CC)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)cc1	CoCoCo_1228437,ZINC22_20450116,PC-id_28954030,CoCoCo_1228436	460.614	DYDIILBWWQPBGC-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141664
CCN(CC)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)cc1	CoCoCo_1228439,ZINC22_20450118,CoCoCo_1228438,PC-id_28954031	460.614	DYDIILBWWQPBGC-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141665
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	CoCoCo_1384387,CoCoCo_1384388,ZINC22_12247878	460.614	IMRIJCFMZBNTDC-RUZDIDTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141666
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	CoCoCo_1384389,ZINC22_12247879,CoCoCo_1384390	460.614	IMRIJCFMZBNTDC-VWLOTQADSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141667
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)cc2c1cccc2	PC-id_42366768	460.614	UYNSSOVGRSIYEK-LJQANCHMSA-O	00000000100000110101000001000010000000000000000000000000	31-01-141668
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)cc2c1cccc2	PC-id_42366772	460.614	UYNSSOVGRSIYEK-IBGZPJMESA-O	00000000100000110101000001000010000000000000000000000000	31-01-141669
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cc2c1cccc2	PC-id_74799697	460.614	UYNSSOVGRSIYEK-UHFFFAOYSA-O	00000000100000110101000001000010000000000000000000000000	31-01-141670
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cnc(c4ccccc4)s3)CCn12	MCULE-8142026163,EMOLS-id_20626385,PC-id_45222818	460.616	OWFNRWDINVZANO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141671
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	ZINC22_12049515	460.616	OWFNRWDINVZANO-LJQANCHMSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141672
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	ZINC22_12049519	460.616	OWFNRWDINVZANO-IBGZPJMESA-N	00000000100000110101100000000010000000000000000000000000	31-01-141673
CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1N1CCOCC1	ZINC22_9579504,PC-id_41132047,CoCoCo_4181974	460.616	HMUFRURZCPVLQG-AWEZNQCLSA-N	00000000100010000101100000000010000000000000000000000000	31-01-141674
CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1N1CCOCC1	ZINC22_9579506,CoCoCo_4181973,PC-id_41132049	460.616	HMUFRURZCPVLQG-CQSZACIVSA-N	00000000100010000101100000000010000000000000000000000000	31-01-141675
N#Cc1c(NC(=O)C(Sc2nnc(n2CC)N2CCOCC2)C)sc2c1CCCCC2	PC-id_16335902,MCULE-6322382413,EMOLS-id_11775935	460.616	HMUFRURZCPVLQG-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-141676
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCN1CCSc2c(C1=O)cc(s2)C	PC-id_19881064,SCHEMBL9039069	460.628	XZWVJQUYQLFVOV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141677
c1(NC(=O)c2c(CC)noc2C)sc2c(CCCCCCCCCCC2)c1C(=O)OCC	ZINC22_8454866,MCULE-2516812858,CoCoCo_1850238,PC-id_3360514,EMOLS-id_4145550,TIMTEC298004,SPECS-id_AK-968/41170867	460.629	LWEKRXIYGKKMBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141678
c1(NC(=O)CCCc2ccccc2)sc2c(CCCCCC2)c1C(=O)NCc1ccccc1	EMOLS-id_4145552,PC-id_4635481,ZINC22_20522025,TIMTEC466118,MCULE-2558097196,CoCoCo_6798031	460.631	TVOGCLWGOWUQLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141679
CCCCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408969329	460.631	LXBGCJWNRAHOLZ-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141680
CC(C)COc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408969758	460.631	UAOIKWLEPLCSHT-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141681
CCCCOc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1	ZINC22_408968846	460.631	CBIFWUAFVRBLAM-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141682
CC(C)COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1	ZINC22_408971378	460.631	NLGMFTYZVGWHIN-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141683
CC(C)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408970743	460.631	CXTIFVBVVZLSOQ-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141684
CCCCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408971677	460.631	PDEJOIOYLDKJKA-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141685
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)c(C)c1	ZINC22_409010587	460.631	CJPBVIVWSCKGPZ-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141686
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)c(C)c1	ZINC22_409013975	460.631	LILPCLSSPCASNI-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141687
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)c(C)c1	ZINC22_409010588	460.631	CJRQUUUEWMVFJQ-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141688
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)c(C)c1	ZINC22_409010593	460.631	CODOXKMBIWJDIP-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141689
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)ccc1C	ZINC22_409014520	460.631	MQPMFUFIBWBAOC-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141690
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)ccc1C	ZINC22_409014544	460.631	MVIJQVUYVQLGNZ-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141691
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)ccc1C	ZINC22_409010670	460.631	DDSQGWSSIQHRFW-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141692
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)ccc1C	ZINC22_409020196	460.631	ZTJUEMLVCLFQLV-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141693
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)C1CS(=O)(=O)CC1	PC-id_75895235	460.631	ARBKTRIOCULZMP-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-141694
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)[C@H]1CS(=O)(=O)CC1	PC-id_52660200	460.631	ARBKTRIOCULZMP-MRXNPFEDSA-N	00000010100010000101000000000010000000000000000000000000	31-01-141695
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)[C@@H]1CS(=O)(=O)CC1	PC-id_52660201	460.631	ARBKTRIOCULZMP-INIZCTEOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-141696
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(CC1)CNC(=O)OC(C)(C)C)C#N	PC-id_56277952	460.633	OAELRBXGRCGDLR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-141697
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC(CCC1)CNC(=O)OC(C)(C)C)C#N	PC-id_60588130	460.633	QNYJAUAVCBJLHN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-141698
s1c2c(CCCCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)NCCCOC(C)C)C#N	PC-id_56482450	460.633	SIALKQCUCHKLGW-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-141699
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc2c(n1)cccc2)C)C(=O)OCC	PC-id_23908945	460.633	VBLOBXPIMIJNBN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141700
s1c2c(CCCCCC2)cc1C(=O)N(CCC(C)C)c1c(n(CCCC)c(=O)[nH]c1=O)N	PC-id_60398319	460.633	RPEWNDCSKLDDTI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-141701
s1c2c(CCCCCC2)c(c1NC(=O)CSc1sc2c(n1)cccc2)C(=O)OCC	PC-id_4086984	460.633	SAFLLEYAXFBNAP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141702
CC(Cc1ccc(cc1)C[N@H+]1CCc2n(CC1)c(nn2)CCNC(=O)c1ccc(cc1C)C)C	GD-id_ZINC14879738	460.634	KNVULNDFZNTNBW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141703
CC(Cc1ccc(cc1)C[N@@H+]1CCc2n(CC1)c(nn2)[C@@H](NC(=O)CCc1ccccc1)C)C	PC-id_26344657,GD-id_ZINC14989982	460.634	GBAPVEDTDCEJBL-QFIPXVFZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141704
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C)CCc1ccccc1	PC-id_74498779	460.634	GBAPVEDTDCEJBL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141705
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C)CCc1ccccc1	PC-id_26344654	460.634	GBAPVEDTDCEJBL-JOCHJYFZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141706
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(C(C)(C)C)ccc1OC)C(=O)OCC	PC-id_20413066	460.652	BDFLWXBUFCHPEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141707
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(C(C)(C)C)ccc1OC)C(=O)OC	PC-id_20413059	460.652	ZHZRDZPAIMPVMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141708
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(OCC)cc1)C)C(=O)OCC	PC-id_20168560	460.652	MXHZMLNGVIBUHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141709
Cc1cc(cc(c1S(=O)(=O)N1CC[NH+](CC1)Cc1nnc2n1CCCCC2)C)C(C)(C)C	PC-id_40898913,GD-id_ZINC08988629	460.656	CVWCYJMZKOGUCR-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-141710
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CCC1)CC(=O)NC(C)(C)C)C)C#N	PC-id_30628352	460.656	NWEXPTFJXGEIEE-KRWDZBQOSA-O	00000000100000000101000000000010000000000000000000000000	31-01-141711
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CC[NH+](CCC1)CC(=O)NC(C)(C)C)C)C#N	PC-id_30628360	460.656	NWEXPTFJXGEIEE-QGZVFWFLSA-O	00000000100000000101000000000010000000000000000000000000	31-01-141712
s1c2c(CCCCC2)c(c1NC(=O)C(N1CC[NH+](CCC1)CC(=O)NC(C)(C)C)C)C#N	PC-id_85473506	460.656	NWEXPTFJXGEIEE-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-141713
S1C[C@H](OCOCCOC)[C@@H](OCOCCOC)CSc2sc(=S)sc12	PC-id_10742651	460.672	HHKXWAVEWXZEBB-RYUDHWBXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141714
S1CC(OCOCCOC)C(OCOCCOC)CSc2sc(=S)sc12	PC-id_85252270	460.672	HHKXWAVEWXZEBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141715
s1c2c(C(CCCC2)C(=O)N(Cc2ccc(N(C)C)cc2)c2ccc(C(C)C)cc2)cc1C	PC-id_11568827	460.674	WRMYFDAYMRNJGN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141716
Ic1cc(OC)c(C(=O)NCc2n3CCCCCc3nn2)cc1Cl	PC-id_60437057	460.697	XMXUYLDNWDHNIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141717
CCCc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1cnc(s1)C	PC-id_138671913	460.699	WSYJJZYEZPJIMW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141718
CCCc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1cnc(s1)C	SCHEMBL21042338	460.699	WSYJJZYEZPJIMW-WGSAOQKQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141719
CN(CCNC(=O)c1c(/C=C/c2ccc(cc2)Cl)[nH]c2=CC(=CCC=c12)Br)C	PC-id_145305092	460.795	UUYHKBIHJNUNMY-DHZHZOJOSA-N	00000000100000110110000000000010000000000000000000000000	31-01-141720
S=c1sc2c(s1)CCSCCSCCSCCSCCSCC2	PC-id_100991038	460.871	BJQDWLOFILWFQP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141721
Clc1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3occc3)CC2)cc(OC)c(OC)c1	PC-id_42540248,GD-id_ZINC12331624	460.934	LHSYCCDJUCJTLD-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-141722
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1OC(F)F	PC-id_20171848	460.946	NCEXCVWYFRRLKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141723
Clc1n(nc(c1C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)C)Cc1ccc(F)cc1	PC-id_55487190	460.952	ZIRKLQSVYHVJFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141724
Cc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)CN2CCOCC2C)cc(c1)Cl	PC-id_144720788	460.954	FFTKUYOXMBNNBD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141725
Clc1ccc(S(=O)(=O)c2c3NC(=O)C(NC(=O)c3sc2)CCc2ccccc2)cc1	PC-id_10766413	460.954	KMYMLGCAUMYPDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141726
Clc1nc2sccn2c1/C=C/C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_45612680	460.957	FTDJPXLVHDUZIV-VOTSOKGWSA-N	00000000100000000101000100000010000000000000000000000000	31-01-141727
Clc1nc2sccn2c1C=CC(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_75121408	460.957	FTDJPXLVHDUZIV-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-141728
Clc1cc(NC(=O)CN(CC(=O)Nc2sc3CCCCCc3c2C#N)C)c(OC)cc1	PC-id_55354121	460.977	MARVKHCAKWKNRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141729
CC(C)N(Cc1nnc(c2ccccc2Cl)o1)C(=O)CSc1nnc2n1CCCCC2	CoCoCo_4054299,EMOLS-id_15278308,PC-id_17487177,ZINC22_12880125,MCULE-9891071785	460.98	HIAURMOYJMNZRW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141730
Clc1ccc(c2n(CC(=O)NNC(=O)c3sc4CCCCCc4c3)c([S-])nn2)cc1	PC-id_29911530	460.98	LSAVUKPKVFGWGE-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-141731
ClC(Cl)(Cl)C(=O)c1c2-c(c(c1)C(=O)C(Cl)(Cl)Cl)c(cc(cc2C)C)C	PC-id_11962131	460.994	APEUWSYSWGXGLD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141732
c1(NC(=O)CN2CCN(CC2)Cc2ccc(cc2Cl)F)sc2c(CCCCC2)c1C#N	TIMTEC264053,CoCoCo_6836835,CoCoCo_6836834,EMOLS-id_4145715,MCULE-4148994743,ZINC22_20435978,PC-id_17278382	460.995	KKEGCNZOPYBKNN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141733
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1F	PC-id_22195419	460.995	MAUOPHNKJZLCLO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141734
Clc1ccc(cc1)NC(=O)c1c(sc2c1CCCCC2)NS(=O)(=O)c1ccccc1	SCHEMBL4139574,PC-id_11634004	460.997	PGDOSLWHMYGFCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141735
CCc1sc2c(c1)C(=N)N(CCS2)C(=N)C1CCN(CC1)CCc1ccc(cc1)Cl	PC-id_141859722	461.086	ANCWVSQYTQVODS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141736
CC(C=C)(C1COC2=C(N(C=C2S(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_154682008	461.103	UGGFVPVIUPLZER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141737
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)CCC(NS2(=O)=O)(CO)C=C	PC-id_155061944	461.103	BJBMPAHKEUMWKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141738
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)CC[C@@](NS2(=O)=O)(CO)C=C	PC-id_155062084	461.103	BJBMPAHKEUMWKA-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141739
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)CC[C@](NS2(=O)=O)(CO)C=C	PC-id_155257947	461.103	BJBMPAHKEUMWKA-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141740
C1CN(CC2=CC(=NN2C1)CC=[N+]=[N-])C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F	PC-id_151375210	461.129	ORGUPBKLBOTEOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141741
CC1CCC(=C(C2=C1C=C(S2)CC3=CC=CC4=C3NN=C4)C=N)C(=O)NCC5=CSC=N5	PC-id_154681879	461.134	BIMRHNSYPQWNKL-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-141742
CC(=C)[C@]1(CCC2=C(N(C=C2S(=O)(=O)N1)C)CNC3=CC(=C(C=C3)F)C(F)(F)F)CO	PC-id_155062053	461.14	AIXINWWOOHNETQ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141743
CC1=CC(=NO1)OCC(=O)CCCCCN2CCC3=C(CC2)SC(=N3)OCC(F)(F)F	PC-id_153010453	461.16	UZYLJPMUTWIDKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141744
CC1=C2C(=C(N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC)CCCCC2=O	PC-id_153617024	461.162	DDHSJBNVVYBOFE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141745
CC(C)C(C(=O)CC1CC2=NC=C(O2)CCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_148903420	461.162	PHFQZSJIVBKSLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141746
CC(C)C(C(=O)CC1CCC2=COC(=N2)CCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_161627591	461.162	WWSROKCGUFIVKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141747
OC(=O)C1CN(Cc2ccc(o2)c2ccc(cc2Br)[N+](=O)[O-])Cc2n(C1)ccn2	PC-id_146146650	461.266	VGORZSRBMBDXSI-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-141748
O=C(O)[C@@H]1CN(Cc2ccc(c3ccc([N+](=O)[O-])cc3Br)o2)Cc2nccn2C1	ZINC22_1875324363	461.266	VGORZSRBMBDXSI-GFCCVEGCSA-N	00000000101000110101100000000010000000000000000000000000	31-01-141749
O=C(O)[C@H]1CN(Cc2ccc(c3ccc([N+](=O)[O-])cc3Br)o2)Cc2nccn2C1	ZINC22_1875324364	461.266	VGORZSRBMBDXSI-LBPRGKRZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-141750
CCC/C(=CCC/C=C/C1=CC=C(C=C1)O)/CC2=NC(=C3C(=CC2=C)N(C=N3)C(CO)CO)C	PC-id_155119749	461.268	GGFMGOPGRXJECT-KJJDFFBFSA-N	00000000100000110111000000000010000000000000000000000000	31-01-141751
Brc1cccc(c1)NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(F)(F)F	PC-id_11684037,SCHEMBL4140756	461.296	XQZQLISYWACCTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141752
S(=O)(=O)(c1c2-n([nH][nH][nH]2)c(c(S(=O)(=O)c2ccccc2)cc1)[N+](=O)[O-])c1ccccc1	PC-id_85563817	461.472	LWIYQZSERBLCCJ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-141771
C1CCc2c(CC1)sc(c2C(=O)Nc1ccc(cc1)F)NC(=O)C(F)(F)Br	PC-id_137642052	461.296	STQKKBMRFFZEIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141753
c1(C(F)(F)F)c(Br)c(n(CC(=O)Nc2sc3c(CCCCC3)c2C#N)n1)C	PC-id_2164487,TIMTEC555742,STOCK2S-44875,EMOLS-id_2375823,MCULE-3076054200,ZINC22_2742550,CoCoCo_707440,SPECS-id_AK-968/12265199,GD-id_ZINC02742550	461.299	XRTWLQARXCHIKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141754
Ic1cc(n2c(C(=O)NCc3n4CCCCCc4nn3)ccc2)ccc1	PC-id_56198136	461.299	ZLKZVKZFDFEZQA-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-141755
Clc1c(Oc2n(nc3C(O)CCC=Cc23)C)cc(OCc2ccc(OC)cc2)c(Cl)c1	PC-id_68714346,SCHEMBL3614111	461.338	YTDHUWKHLFWICR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-141756
Clc1ccc(c(c1)Cl)Cn1cnc(n1)C(=O)C([C@H]1CCn2c(N(C1=O)C)cc(n2)C)C	SCHEMBL18372930	461.344	HPHOBQGSVMICLN-FQNRMIAFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141757
Brc1cc(CC(CCCCn2c3c(nc2)NC=NCC3=O)C(=O)OCC)ccc1	PC-id_10837702	461.352	MFDHJNDSQVJFCE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-141758
Brc1cc(CC(CCCCn2c3NC=NCC(=O)c3nc2)C(=O)OCC)ccc1	PC-id_10671679	461.352	LINKMXFUKJRDGW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-141759
C1CN(Cc2cc(nn2C1)C(C#N)N)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460594,SCHEMBL16099844	461.361	QCIISQZPAAQGHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141760
c1(NC(=O)c2ccc(COc3ccc(cc3Cl)Cl)o2)sc2c(CCCCC2)c1C#N	SPECS-id_AK-968/12573235,TIMTEC269410,CoCoCo_1859392,ZINC22_2746046,EMOLS-id_8245413,PC-id_4450353,MCULE-8880237577	461.361	KQBWBFFYXFFLHX-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-141761
Clc1cc(n2nc(c(CC(=O)NCCc3n4CCCCCc4nn3)c2C)C)ccc1Cl	PC-id_55689834	461.387	IMBYTDPWAZGPHM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141762
O=C(N[C@@H](CC(C)C)B(O)O)[C@H]1NC(=O)c2[nH]c(C(=O)CCCCCCCCCCC1)cc2	PC-id_75204468	461.402	DYNUGMVLNVHYME-UGKGYDQZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141763
CC(CC(B(O)O)NC(=O)[C@@H]1CCCCCCCCCCCC(=O)c2[nH]c(C(=O)N1)cc2)C	PC-id_144626252	461.403	DYNUGMVLNVHYME-YDNXMHBPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141764
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1)Nc1sc2c(CCCCC2)c1C#N	STOCK1S-84300,MCULE-2212292514,ZINC22_9335100,EMOLS-id_4411730,CoCoCo_1743482,TIMTEC447502,PC-id_3770420	461.424	SGXYDSLFQLQRJP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141765
N#CC(=C(c1c(=O)oc2-c1cc(ccc2)C(C)C)C(=C(C#N)C#N)c1ccc(cc1)[N+](=O)[O-])C#N	PC-id_101789617	461.428	FZKQWLIBDZGXOM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141766
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)CNc1cccc(c1)C(F)(F)F)[N+](=O)[O-]	PC-id_89580195,SCHEMBL14965817	461.437	CATSMMUCSIOEPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141767
Fc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccccc3C(F)(F)F)CCn12	CoCoCo_1301925,GD-id_ZINC20783366,MCULE-3492290342,EMOLS-id_20521133,ZINC22_20783366,CoCoCo_1301924,PC-id_29153182	461.455	FFUFSRUFEDLDGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141768
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4cccc(c4)C(F)(F)F)CCn23)c1	ZINC22_20906553,EMOLS-id_20528175,CoCoCo_1312016,MCULE-7428856857,CoCoCo_1312017,PC-id_29209423,GD-id_ZINC20906553	461.455	WSLAORODSVFQLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141769
FC(F)(F)c1cc(CN2CCn3c(nnc3CCNC(=O)c3ccc(F)cc3)CC2)ccc1	PC-id_28311665	461.455	QKQXPRFLFIZKTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141770
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3cccc(c3)C(F)(F)F)CCn12	MCULE-7709604443,ChEMBL-DNDi_CHEMBL36003976,EMOLS-id_20539083,PC-id_45202432	461.48	PASQWJBVSAROBS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-141772
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	CoCoCo_1327786,ZINC22_20914633,CoCoCo_1327787,PC-id_29216552	461.48	PASQWJBVSAROBS-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-141773
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	ZINC22_20914638,CoCoCo_1327789,PC-id_29216555,CoCoCo_1327788	461.48	PASQWJBVSAROBS-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-141774
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cn(nc1)COc1c(cc(cc1)C)C	PC-id_19523829	461.48	BQUUUFJVSMBKIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141775
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cn(nc1)COc1ccc(CC)cc1	PC-id_19523824	461.48	DXARSUIYKDGCCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141776
O=C(c1n(C)cc2c1OC[C@H](NS2(=O)=O)[C@H](c1ccccc1)C)Nc1ccc(c(c1)F)F	SCHEMBL18358047	461.482	GOLPAMSFQZPTAX-UGSOOPFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141777
O=C(c1n(C)cc2c1OC[C@@](NS2(=O)=O)(C)Cc1ccccc1)Nc1ccc(c(c1)F)F	SCHEMBL18352845	461.482	DHXBSLJXNGEYAI-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141778
O=C(c1n(C)cc2c1OC[C@](NS2(=O)=O)(C)Cc1ccccc1)Nc1ccc(c(c1)F)F	SCHEMBL18352847	461.482	DHXBSLJXNGEYAI-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141779
FC(F)(F)c1n(CC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)c2c(n1)cccc2	PC-id_46534110	461.483	IPIXVYGMLAZNIB-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-141780
CC(C(c1nnc2n1CCN(CC2)Cc1ccc(cc1)OC(F)(F)F)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL73909724,PC-id_45167237	461.502	YZEYCDACSMVKAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141781
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCC(CN(C)C)O	SCHEMBL6878459,PC-id_54385115	461.508	VCRLKEFITLGSJL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141782
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OCCCN(C)C)O	SCHEMBL6878469	461.508	VDEPXJHSQKVTPY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141783
COC(=O)C(CS)NC(=O)c1c2c(c([nH]1)C(=O)NC(CS)C(=O)OC)OCCCO2	PC-id_88907412,SCHEMBL12335017	461.51	MFLFRLCCPQWWES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-141784
C1CCN(C1)C(=O)c1ccc(cc1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965949,PC-id_89580293	461.513	IGTWIEQCABTGAZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-141785
COC(=O)c1cccc(c1)C(=O)N1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1	MCULE-7764558656,EMOLS-id_20401220,ZINC22_11968120,CoCoCo_1133457,PC-id_42320916	461.513	YUWYGZMGMREVCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141786
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)Nc1ccc(OC)cc1)Cc1ccccc1	PC-id_46159953	461.513	NLMVLVZMKRAHMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141787
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)Nc1ccc(OC)cc1)C)Cc1ccccc1	PC-id_42855055	461.513	NAABFAODPNGRPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141788
c1(C(=O)NCCNC(=O)c2onc(CCn3c4ccccc4cc3)n2)c2CCCCCc2[nH]n1	EMOLS-id_323249077,MCULE-1777538101	461.516	NICOQPJDZYFLRM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-141789
O=C(OCc1ccc(cc1)C1CC1)N1CCc2cc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1	SCHEMBL17112970,PC-id_118394530,BindingDB-id_913883	461.516	BJMFVUKWCFELMG-UHFFFAOYSA-N	00100000100010110101100000010010000000000000000000000000	31-01-141790
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)c1c(F)cc(F)cc1	PC-id_55376851	461.525	LKAOZGZECSTSFL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-141791
s1c2c(CCCCC2)c(c1NC(=O)C1CCN(CC1)C(=O)c1c(F)cc(F)cc1)C(=O)N	PC-id_55375520	461.525	XJUIETFUWRVFDB-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-141792
CCCc1nc(nn1CC(=O)N1CCc2c(CC1)nc(s2)C)c1ccc(cc1)OC(F)F	PC-id_89623292,SCHEMBL15024566	461.528	NFQYZUXZANKQOA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141793
CCOC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCCCCC3)oc(C)c1C(=O)C	CoCoCo_4017910,PC-id_24470438,ZINC22_17712807,EMOLS-id_19638984,MCULE-9802816892	461.528	ZZKVFAVTKLJEOO-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-141794
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(F)cc1)C(=O)OC	PC-id_4277877	461.53	WNQPLGOOBNZEOP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141795
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1c(F)cccc1)C(=O)OC	PC-id_4440739	461.53	LDBZYYYFFRNEAQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-141796
c12C(=O)N(CCCn1nc(C(=O)N1CCN(CC1)c1ccccc1F)c2)Cc1ccc(cc1)C	MCULE-3371695001,PC-id_50798085,EMOLS-id_32846090	461.531	UOJQEKVKCIYIDY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141797
CC(C)(O)C#Cc1ccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1	EMOLS-id_20483747,MCULE-8196732755,ChEMBL-DNDi_CHEMBL24740858,ZINC22_20455075,PC-id_28957505	461.531	DVJQYRTYSKNDLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141798
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1	PC-id_31846304	461.531	HUWKAWYWIPQKJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141799
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OCC(=O)N)c(OC)c1	PC-id_24514867	461.531	YJINOULGMWLYNQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141800
COc1ccc(CN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2nc3CCCCCc3s2)cc1	EMOLS-id_323421540,MCULE-5219366648	461.533	TXPTYMIEKAJBJL-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-141801
CC=C(C=CC(=C)C1CC=CCCn2c1nc(n2)Nc1cc(c(cc1)n1cnc(n1)C)OC)F	PC-id_91016255	461.535	BRQZQHFTYPVNQI-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-141802
CC(C(C(=O)NC1Cc2cnn(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730194,SCHEMBL21109345	461.535	RGXVQBGCENVUNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141803
CC(C(C(=O)NC1Cc2cn[nH]c2CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109370,PC-id_138730219	461.535	YSBOAVZPHUDCSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141804
CC(C(C(=O)NC1Cc2[nH]nc(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731103,SCHEMBL21110263	461.535	IVRRBQNFDKSKJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141805
CC(C(C(=O)NC1CCc2cnn(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730897,SCHEMBL21110055	461.535	UAUJXRZIZCSCGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141806
CC(C(C(=O)NC1CCc2[nH]nc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730730,SCHEMBL21109888	461.535	QBNVSNUDMRMAOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141807
CC(C(C(=O)N[C@@H]1CCc2cnn(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730895,SCHEMBL21110053	461.535	UAUJXRZIZCSCGI-QNSVNVJESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141808
CC(C(C(=O)N[C@@H]1CCc2[nH]nc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21111142,PC-id_138731886	461.535	QBNVSNUDMRMAOX-QNSVNVJESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141809
O=C(NC(C(=O)NC1Cc2nnc(s2)CCNC(C1=O)O)C(C)C)OCc1ccccc1	PC-id_138730187,SCHEMBL21109338	461.535	AZVJRXIGRLCRRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141810
N#Cc1c(NC(=O)CN2C(=O)NC(C2=O)Cc2c[nH]c3c2cccc3)sc2c1CCCCC2	MCULE-4684627508,EMOLS-id_3125175,PC-id_4422582	461.536	GMYYMJHNQJVWBC-UHFFFAOYSA-N	00000010100000100101000001100010000000000000000000000000	31-01-141811
N#Cc1c(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)sc2c1CCCCC2	PC-id_2444885,CoCoCo_3158371,ZINC22_3328937	461.536	GMYYMJHNQJVWBC-LJQANCHMSA-N	00000010100000100101000001100010000000000000000000000000	31-01-141812
N#Cc1c(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)sc2c1CCCCC2	ZINC22_15979399,CoCoCo_3158370,PC-id_6598810	461.536	GMYYMJHNQJVWBC-IBGZPJMESA-N	00000010100000100101000001100010000000000000000000000000	31-01-141813
O=C(c1ccc(c(c1)[N+](=O)[O-])N1CC[NH+](CC1)Cc1nnc2n1CCCCC2)c1ccccc1	PC-id_40821942,GD-id_ZINC08780512	461.536	IAGNEXAIFOLXFJ-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-141814
Cc1c(c(no1)C)S(=O)(=O)N1CCN(CC1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O	PC-id_135665521	461.538	KMWWFKQHJHNPAO-MSUUIHNZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141815
Cc1c(c(no1)C)S(=O)(=O)N1CCN(CC1)CC(=C(C#N)c1nnc2n1CCCCC2)O	PC-id_135892325	461.538	KMWWFKQHJHNPAO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141816
Cc1c(c(no1)C)S(=O)(=O)N1CCN(CC1)CC(=O)C(=C1NN=C2N1CCCCC2)C#N	MCULE-4364304273,EMOLS-id_26216089,PC-id_86776035	461.538	DENCBJPBACZOPQ-UHFFFAOYSA-N	00000011100010000111000000000010000000000000000000000000	31-01-141817
N#C/C(=C
/NN=C2N1CCCCC2)/C(=O)CN1CCN(CC1)S(=O)(=O)c1c(C)noc1C	CoCoCo_4243453,PC-id_16393379,CoCoCo_4243454	461.538	DENCBJPBACZOPQ-CAPFRKAQSA-N	00000011100010000111000000000010000000000000000000000000	31-01-141818
O=C(N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)CC1CC1	SCHEMBL21041123,PC-id_138670775	461.541	NDEXKWCRGLLLSO-JKSUJKDBSA-N	00100000100010000101000000000010000000000000000000000000	31-01-141819
CNC(=O)C(C(C)(C)C)N(C(=O)c1ncn2c1CN(C)CC(C2)(C)C)c1ccc(c(c1)F)F	PC-id_68424415,SCHEMBL2875601	461.548	XTSQYPSTWMDRCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141820
Fc1ccc(cc1)C#Cc1sc2c(c1C(=O)NC(c1ccc(cc1)C(=O)O)C)CCCCC2	PC-id_138672164,SCHEMBL21042614	461.548	VFCGCAUCSRQWHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141821
Fc1ccc(cc1)C#Cc1sc2c(c1C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)CCCCC2	SCHEMBL21042612,PC-id_138672162	461.548	VFCGCAUCSRQWHN-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141822
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCN1CCC(=O)c2c(S1(=O)=O)ccn2C	SCHEMBL5852718,PC-id_9868923	461.55	BYOVCUQHRVVXLI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141823
O=C(NC(Cc1ccccc1)C(=O)NC)C(CCCc1c2-c(cc1)ccccc2)CC(=O)NO	PC-id_19606570	461.553	QNEWOAHORDQCMF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141824
O=C(N[C@@H](Cc1ccccc1)C(=O)NC)[C@H](CCCc1c2-c(cc1)ccccc2)CC(=O)NO	SCHEMBL8485595,PC-id_18395288	461.553	QNEWOAHORDQCMF-VWNXMTODSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141825
c1(NC(=S)NNC(=O)c2ccc3c(OCO3)c2)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_2472802,PC-id_2211183,CoCoCo_1001412,TIMTEC85007,MCULE-3316467051	461.554	BSIFPMGGDQXLNX-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-141826
Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC22_3293959,PC-id_2409585,CoCoCo_2991495,EMOLS-id_3082890,MCULE-2457083703	461.554	FMJFLMPRTCOUOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141827
CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ChEMBL-DNDi_CHEMBL1510687,CHEMBL1510687,CoCoCo_2997692,MCULE-8497256923,ZINC22_8690445,PC-id_3557646,EMOLS-id_3103621	461.554	QZVHAYUOYVRIHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141828
COCC(=O)NC(c1nnc2n1CCN(CC2)Cc1cc(OC)c(c(c1)OC)O)CC(C)C	ChEMBL-DNDi_CHEMBL14647500	461.554	XAULFPSJRDTCOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141829
s1c2c(CCCCC2)c(c1NC(=O)CN(C1=NS(=O)(=O)c2c1cccc2)C)C(=O)OC	PC-id_52638611	461.554	QJPYKDVOYXDTOX-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-141830
s1c2c(CCCCC2)c(c1NC(=O)CN(S(=O)(=O)c1ccc(cc1)C#N)C)C(=O)OC	PC-id_52598456	461.554	NCWMNAMBJMFTMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141831
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(NS(=O)(=O)C)ccc1)C)C#N	PC-id_16567084	461.554	CWKPUSJCHJLGBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141832
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(S(=O)(=O)N)c(cc1)C)C)C#N	PC-id_55569332	461.554	ROSYYEWLBZUORI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141833
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)NCC)ccc1)C#N	PC-id_24347999	461.554	QKWNAHSPCLFBOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141834
S1(=O)(=O)N(C(C)C)C(=O)c2c1cc(cc2)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_52671672	461.554	XEVYXSAOYVNKRO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-141835
S(=O)(=O)(CCC(N1C(=O)c2c(C1=O)cccc2)C(=O)Nc1sc2CCCCCc2n1)C	PC-id_24603994	461.554	YRCFPSAGLLRCCF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-141836
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccccc3OCC=C)CCn12	EMOLS-id_20484891,PC-id_45190047,MCULE-7887919291	461.556	RWPZDQFOMMOZGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141837
CC(CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1)Cc1ccc2OCOc2c1	PC-id_45229126,MCULE-5028185811,EMOLS-id_20652747	461.556	BYALXDQFKXOVHM-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-141838
C=CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)c3cccc(OC)c3)n2CC1	CoCoCo_1249614,CoCoCo_1249615,PC-id_42324447,ZINC22_11973170	461.556	RWPZDQFOMMOZGK-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141839
C=CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)c3cccc(OC)c3)n2CC1	PC-id_42324456,CoCoCo_1249613,ZINC22_11973177,CoCoCo_1249612	461.556	RWPZDQFOMMOZGK-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141840
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1	CoCoCo_1497969,PC-id_42473012,CoCoCo_1497971,ZINC22_12219232	461.556	BYALXDQFKXOVHM-LJQANCHMSA-N	00000010100000110101000000001010000000000000000000000000	31-01-141841
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1	CoCoCo_1497970,PC-id_42473014,ZINC22_12219233,CoCoCo_1497968	461.556	BYALXDQFKXOVHM-IBGZPJMESA-N	00000010100000110101000000001010000000000000000000000000	31-01-141842
CC(=O)Nc1ccc2c(c1)C(=Cc1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCC1)C(=O)N2	PC-id_68526677,SCHEMBL3141622	461.556	ZJGHPIGRAYYGKE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-141843
CC(=O)Nc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCC1)/C(=O)N2	SCHEMBL3141620,PC-id_25115144	461.556	ZJGHPIGRAYYGKE-HKWRFOASSA-N	00000010100000100100000000001010000000000000000000000000	31-01-141844
COc1ccccc1/C=CCN1CCc2n(CC1)c(nn2)CCNC(=O)COc1ccccc1	CoCoCo_1308517,CoCoCo_1308519	461.556	GPUDNLPACRRPAK-CLFYSBASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141845
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)[C@H](NC(=O)COc1ccccc1)C	CoCoCo_1337921,CoCoCo_1337919	461.556	FGIQUSLXAJZPSL-PXDRNWIDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141846
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)COc1ccccc1)C	CoCoCo_1337923,CoCoCo_1337925	461.556	FGIQUSLXAJZPSL-HCZHMGAMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141847
COc1ccccc1/C=C/CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1	CoCoCo_1308520,CoCoCo_1308518,ZINC22_12039836,ChEMBL-DNDi_CHEMBL33151071,PC-id_42370946,EMOLS-id_26001623	461.556	GPUDNLPACRRPAK-VQHVLOKHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141848
COc1ccc(cc1)/C=CCN1CCn2c(CC1)nnc2CCNC(=O)c1ccc(cc1)OC	CoCoCo_1302857,CoCoCo_1302859	461.556	MROOGVXAJPWBJN-ARJAWSKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141849
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(C/C=C/c3ccccc3OC)CCn12	ChEMBL-DNDi_CHEMBL98677289,ZINC22_15071206,CoCoCo_1644261,CoCoCo_1644259,PC-id_26402523,EMOLS-id_26024695	461.556	XZDORPQJQLQXKQ-FNORWQNLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141850
COc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccccc1OC	CoCoCo_1644260,CoCoCo_1644258	461.556	XZDORPQJQLQXKQ-ALCCZGGFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141851
COc1ccc(/C=C/CN2CCc3nnc(CCNC(=O)c4ccc(OC)cc4)n3CC2)cc1	PC-id_42367009,EMOLS-id_26001213,ZINC22_12035799,CoCoCo_1302860,CoCoCo_1302858	461.556	MROOGVXAJPWBJN-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141852
COc1ccc(/C=C/CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)cc1	EMOLS-id_26003691,PC-id_45204014	461.556	FGIQUSLXAJZPSL-VOTSOKGWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141853
COc1ccc(/C=C/CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	CoCoCo_1337924,ZINC22_12190719,PC-id_42451727,CoCoCo_1337926	461.556	FGIQUSLXAJZPSL-YJJPMGAVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141854
COc1ccc(/C=C/CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	ZINC22_12190718,CoCoCo_1337920,PC-id_42451725,CoCoCo_1337922	461.556	FGIQUSLXAJZPSL-ROUKRRSUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141855
n12CCN(CCc1nnc2CCNC(=O)c1ccc(cc1)OC)CC=Cc1ccc(cc1)OC	MCULE-6840807675,PC-id_74799724	461.556	MROOGVXAJPWBJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141856
n12CCN(CCc1nnc2CCNC(=O)c1ccc(cc1)OC)CC=Cc1ccccc1OC	MCULE-9763600582,PC-id_74503152	461.556	XZDORPQJQLQXKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141857
n12CCN(CCc1nnc2C(C)NC(=O)COc1ccccc1)CC=Cc1ccc(cc1)OC	MCULE-1114742844,PC-id_74804276	461.556	FGIQUSLXAJZPSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141858
n12CCN(CCc1nnc2CCNC(=O)COc1ccccc1)CC=Cc1ccccc1OC	PC-id_74800139,MCULE-6008127265	461.556	GPUDNLPACRRPAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141859
n12CCN(CCc1nnc2CNC(=O)C1CCOC1)Cc1ccc(cc1)OCc1ccccc1	EMOLS-id_20406346,PC-id_45171852,ChEMBL-DNDi_CHEMBL12490432,MCULE-6064958507	461.556	NYAFUHWBWHGWHJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-141860
s1c2CCCCCCc2nc1NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1	PC-id_56168742	462.629	SWVHDDZVFCHSCG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142285
O=c1n2CCCCCc2nn1CC(=O)Nc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1	PC-id_55678116	461.556	ARSHEEUZCDYCSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141861
O=C(NCc1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2)[C@@H]1CCOC1	CoCoCo_1140217,PC-id_30854495,CoCoCo_1140215,ZINC22_23130737	461.556	NYAFUHWBWHGWHJ-JOCHJYFZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-141862
O=C(NCc1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2)[C@H]1CCOC1	PC-id_30854498,ZINC22_23130741,CoCoCo_1140214,CoCoCo_1140216	461.556	NYAFUHWBWHGWHJ-QFIPXVFZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-141863
O=C(NCCc1n2CCCCCc2nn1)[C@@H](NC(=O)OCc1ccccc1)Cc1ccccc1	PC-id_60404874	461.556	DHZPMQNYAJYVMD-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141864
O=C(NCCc1n2CCCCCc2nn1)C(NC(=O)OCc1ccccc1)Cc1ccccc1	PC-id_76859385	461.556	DHZPMQNYAJYVMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141865
c12nnc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n1c(cc(=O)[nH]2)C	ZINC22_15881754,EMOLS-id_22734694,CoCoCo_5134690,MCULE-4810929829,PC-id_135870163	461.558	DGJUPCNNXYKLKF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141866
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)S(=O)(=O)c2cn(C)cn2)c1	ZINC22_1258995417,EMOLS-id_313793848	461.558	PNHRFBLDIKQNCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141867
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)S(=O)(=O)c2cn(C)cn2)cc1	ZINC22_1258995149,EMOLS-id_313793335	461.558	IXBRRMJNIXCNDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141868
O=c1n2CCCCCc2nn1CC(=O)N(CCCCC)c1c(n(CCCC)c(=O)[nH]c1=O)N	PC-id_55478065	461.558	KXHQIHAUCKYKKR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-141869
c1(NC(=O)c2cc(OC)c(cc2OC)OC)sc2c(CCCCCCC2)c1C(=O)OCC	ZINC22_20168390,TIMTEC439648,EMOLS-id_4146213,PC-id_4495813,CoCoCo_6795564,MCULE-2376412724	461.571	RYHHNYBTZXUTDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141870
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCCCC2)c1C(=O)OC	MCULE-6079893866,CoCoCo_740510,EMOLS-id_1094828,SPECS-id_AK-968/12163258,PC-id_1742684,ChEMBL-DNDi_CHEMBL6108406,ZINC22_2083818,TIMTEC254876	461.571	JZYZKBUJKORSFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141871
CCOS(=O)C/C(=C(CNc1ccc2-c(cc1)c(cc2C(=O)OCC)C(=O)OCC)/C)/C	PC-id_101250330	461.571	SOZDJADSQNSREN-MSUUIHNZSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141872
CCOS(=O)C/C(=C(CNc1c(C(=O)OCC)c2-c(c1C(=O)OCC)ccccc2)/C)/C	PC-id_101250329	461.571	JNWOGWDDOQMWSB-MSUUIHNZSA-N	00000010100000000110000000000010000000000000000000000000	31-01-141873
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccc(F)cc1	PC-id_16861578	461.573	AYOVEMKGSKFZPW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-141874
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccc(F)cc1	PC-id_41825924	461.573	WQHYVCGPLUZJEM-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-141875
COc1cc(cc(c1OC)OC)C(=O)NC(C(=O)Nc1nc2c(s1)CCCCC2)C(C)C	MCULE-3758583412,EMOLS-id_17206309,PC-id_24246194	461.574	DOJYFSAEONUKHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141876
COc1cc(C(=O)N[C@@H](C(=O)Nc2nc3c(s2)CCCCC3)C(C)C)cc(OC)c1OC	CoCoCo_4546141,ZINC22_12827730,PC-id_25540586	461.574	DOJYFSAEONUKHK-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141877
COc1cc(C(=O)N[C@H](C(=O)Nc2nc3c(s2)CCCCC3)C(C)C)cc(OC)c1OC	ZINC22_12827729,CoCoCo_4546140,PC-id_25540585	461.574	DOJYFSAEONUKHK-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141878
Brc1ccc2-c(c(cc2C(=O)OCCCCCC)C(=O)OCCCCCC)cc1	PC-id_12122579	463.405	BTLCAPDKOKPJIL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142360
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3cccc([N+](=O)[O-])c3)sc3c2CCCCCC3)c1	ZINC22_409011050	461.576	DKKVWRTYKWQONY-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-141879
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cccc([N+](=O)[O-])c3)sc3c2CCCCCC3)c1	ZINC22_409013478	461.576	KMOXVXRUMCYGRA-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-141880
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc([N+](=O)[O-])cc3)sc3c2CCCCCC3)c1	ZINC22_409012948	461.576	JIYKYMJXGSVOGH-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-141881
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc([N+](=O)[O-])cc3)sc3c2CCCCCC3)c1	ZINC22_409020047	461.576	YTDUSBDOEYTOLQ-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-141882
Cc1cccc(NC(=O)c2c(/N=C/c3cccc([N+](=O)[O-])c3)sc3c2CCCCCC3)c1C	ZINC22_409015997	461.576	QCODJXSZRIWVCY-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-141883
Cc1cccc(NC(=O)c2c(/N=C/c3ccc([N+](=O)[O-])cc3)sc3c2CCCCCC3)c1C	ZINC22_409010555	461.576	BWBLYJHMSGKTKE-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-141884
Cc1ccc(NC(=O)c2c(/N=C/c3cccc([N+](=O)[O-])c3)sc3c2CCCCCC3)cc1C	ZINC22_409011574	461.576	GJDJVKCXBZSSNH-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-141885
Cc1ccc(NC(=O)c2c(/N=C/c3ccc([N+](=O)[O-])cc3)sc3c2CCCCCC3)cc1C	ZINC22_409015934	461.576	PSWFKDDACWXTTI-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-141886
NC(=O)COc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408971572	461.576	JCJFOICTHYHEMZ-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-141887
NC(=O)COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1	ZINC22_408964151	461.576	PRXCYVXAEYDSJC-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-141888
NC(=O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408972221	461.576	NSSBDXOVLCRMMI-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-141889
CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)Cn1nc2n(c1=O)CCCCC2	EMOLS-id_44082444,MCULE-8981972329,PC-id_45874597	461.578	XJJHAUXFTHLJGZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141890
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3nc4n(c3=O)CCCCC4)cc2)C1	CoCoCo_4778235,ZINC22_23112658,PC-id_30840133	461.578	XJJHAUXFTHLJGZ-CALCHBBNSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141891
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3nc4n(c3=O)CCCCC4)cc2)C1	PC-id_30840132,CoCoCo_4778236,ZINC22_23112657	461.578	XJJHAUXFTHLJGZ-IAGOWNOFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141892
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3nc4n(c3=O)CCCCC4)cc2)C1	ZINC22_23112659,CoCoCo_4778234,PC-id_30840134	461.578	XJJHAUXFTHLJGZ-IRXDYDNUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141893
S(=O)(=O)(c1ccc(N2CCC(NC(=O)Cn3nc4n(CCCCC4)c3=O)CC2)cc1)CC	PC-id_56200335	461.578	NAODRVZMNANNPK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141894
S(=O)(=O)(N1CCC(CC1)C(=O)NCc1n2CCCCCc2nn1)c1ccc(OCC)cc1	PC-id_24610277	461.578	VEDFGTIUABQWRN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141895
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	ZINC22_14957209,PC-id_26320004,CoCoCo_1438011,CoCoCo_1438012	461.579	URZXAHOUMQALDF-GOSISDBHSA-N	00000000100000110101000001000010000000000000000000000000	31-01-141896
Ic1c2n(CCCCC2CCO[Si](C(C)(C)C)(C)C)c(c1)C(=O)OC	PC-id_76022410	477.452	YWBIMSKIAUWBOS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-146664
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	ZINC22_14957214,CoCoCo_1438013,CoCoCo_1438014,PC-id_26320008	461.579	URZXAHOUMQALDF-SFHVURJKSA-N	00000000100000110101000001000010000000000000000000000000	31-01-141897
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3cc4ccccc4s3)CCn12	EMOLS-id_20613265,MCULE-5244461924,PC-id_45219714	461.579	URZXAHOUMQALDF-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-141898
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(NC(=O)C)cc1)C)CCc1ccccc1	PC-id_74804308	461.579	RQDDYBFKTPYUQV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141899
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(NC(=O)C)cc1)C)CCc1ccccc1	PC-id_42451939	461.579	RQDDYBFKTPYUQV-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141900
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(NC(=O)C)cc1)C)CCc1ccccc1	PC-id_42451941	461.579	RQDDYBFKTPYUQV-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-141901
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)c1[nH]c2c(c1)cccc2)C#N	PC-id_56360909	461.579	CZCIYXXDONYKLA-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-141902
s1c(N(C(=O)Cn2nc3n(CCCCC3)c2=O)c2ccc(C(C)C)cc2)nc2c1cccc2	PC-id_55560881	461.579	OZMJEPSGFZKMJG-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-141903
O(C(=O)C1(C(C(C)C)c2cc(n(c2)C(=O)OC(C)(C)C)C=CCCCCCC1)C(=O)OC)C	PC-id_11134337	461.591	WIQYUVLTNGJHAL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-141904
COc1ccc(cc1)CN1c2ccccc2/C(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)/C1=O	SCHEMBL13324670	461.594	MAUBTFJLGUXRIP-RDRPBHBLSA-N	00000010100000110110000000001010000000000000000000000000	31-01-141905
COc1ccc(cc1)CN1c2ccccc2/C(=C/c2cc(c3-c2c(C)ccc(c3)C(C)C)C)/C1=O	SCHEMBL3290764,PC-id_68583412	461.594	MAUBTFJLGUXRIP-MIXAMLLLSA-N	00000010100000110110000000001010000000000000000000000000	31-01-141906
COc1ccc(cc1)CN1c2ccccc2C(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)C1=O	SCHEMBL3290766,PC-id_59301672	461.594	MAUBTFJLGUXRIP-UHFFFAOYSA-N	00000010100000110110000000001010000000000000000000000000	31-01-141907
O=C(N(C1CCS(=O)(=O)C1)Cc1ccccc1)COC(=O)c1cc2c(s1)CCCCC2	PC-id_16251363,EMOLS-id_3492824,MCULE-4884836784	461.594	DDVCOJLQGZASKO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-141908
O=C(OCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCC2	CoCoCo_2861375,PC-id_41179785,ZINC22_9703324	461.594	DDVCOJLQGZASKO-LJQANCHMSA-N	00000010100000110100000000000010000000000000000000000000	31-01-141909
O=C(OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCC2	ZINC22_9703325,PC-id_41179786,CoCoCo_2861376	461.594	DDVCOJLQGZASKO-IBGZPJMESA-N	00000010100000110100000000000010000000000000000000000000	31-01-141910
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1sc2CCCCc2c1)C)C(=O)OC	PC-id_24082854	461.594	TWUBBCBCZBUFJB-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-141911
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1sc2CCCCc2c1)C(=O)OCC	PC-id_23971686	461.594	QGHGDZOCFSERJI-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-141912
S1(=O)(=O)CC(N(c2ccccc2)C(=O)COC(=O)c2sc3CCCCCCc3c2)CC1	PC-id_24341546	461.594	AJRZNEOOCBTHKT-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-141913
S(=O)(=O)(c1c2-c(c(c1)CCCCNS(=O)(=O)c1ccccc1)ccc(cc2)C(C)C)O	CHEMBL1205278,PC-id_10411982	461.594	GXGQFLLIIBYTKY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141914
S(=O)(=O)(c1c2-c(c(c1)CCCCS(=O)(=O)Nc1ccccc1)ccc(cc2)C(C)C)O	PC-id_44292126,CHEMBL1205057	461.594	UEICQRZVDMOZOW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-141915
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)sc2c(CCCCC2)c1C(=O)NC	ZINC22_9599754,PC-id_16825451,EMOLS-id_5523529,CoCoCo_5058672,MCULE-8968851666	461.597	AKQDZMVWYGCQGJ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-141916
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)sc2c(CCCCC2)c1C(=O)N	PC-id_4686611,ZINC22_2483586,CoCoCo_5014630,MCULE-4413212695,EMOLS-id_4948383	461.597	HKOUCVGDSOPJNE-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-141917
CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)c1	ZINC22_32125077,PC-id_20166136	461.597	OJHGYFVGRZJPFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141918
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)C(=O)c1occc1)C(=O)OCC	PC-id_19686843	461.597	POFPIVZVRYRQRX-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-141919
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)C(=O)c1occc1)C(=O)OC	PC-id_19686839	461.597	FQKOWCZUTWEOKN-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-141920
S1(=O)(=O)CCN(CC1)C(c1ccccc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_56505538	461.597	UENWHGOSNRZMJV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141921
S(=O)(=O)(N1C(Cc2c1ccc(c2)C(=O)NNC(=O)c1sc2CCCCCCc2c1)C)C	PC-id_46656696	461.597	WHOQITUEASQKGJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-141922
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_24487255	461.597	XVFKGCQNMQTACB-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-141923
S(=O)(=O)(N1CCCC1)c1cc(ccc1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_24643155	461.597	IMNLTUZSAHWILH-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-141924
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1ccc(cc1)C	PC-id_16827373	461.597	VAGMMBSEEZUAOB-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-141925
S(=O)(=O)(N1C(CCC1)C(=O)NNC(=O)c1sc2CCCCCCc2c1)c1ccccc1	PC-id_46581446	461.597	WPTQZYDTUFZUEQ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-141926
S(=O)(=O)(N1CCCCC1)c1cc(ccc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_26778436	461.597	VAKXPJVKVNMRKB-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-141927
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1ccccc1	PC-id_16861630	461.597	JDTLBXSWDHDKJO-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-141928
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCc2n1)c1cc(ccc1)C(=O)C	PC-id_24603985	461.597	JITGVXOPXNSXTD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141929
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2CCCCCc2n1)c1ccc(cc1)C(=O)C	PC-id_55507348	461.597	JOIPYVDAGHNYAL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141930
S(=O)(=O)(N1CC(CCC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1ccccc1	PC-id_46429237	461.597	OCPPBDHFWZHREL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-141931
S(=O)(=O)(NC1CC1)c1ccc(cc1)CCC(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_37722387	461.597	TWHLXZMUYYCOCH-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-141932
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3cccc(c3)OCc3ccccc3)CCn12	EMOLS-id_20493951,ChEMBL-DNDi_CHEMBL26684677,MCULE-9488071385,PC-id_45192125	461.599	VGNLUJPSNNWQMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141933
c1(C(C(C)C)NC(=O)c2ccc(cc2)OC)nnc2CCN(Cc3ccc(c(C)c3)C)CCn12	EMOLS-id_20459557,PC-id_45184189,MCULE-4351714280	461.599	OPYZIHFSCOBSMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141934
c1(C(C(C)C)NC(=O)CC)nnc2CCN(Cc3ccc(cc3)OCc3ccccc3)CCn12	EMOLS-id_20540043,MCULE-8880067609,PC-id_45202650	461.599	YUFRQQCODFRXJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141935
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(cc3)CC(C)C)CCn12	PC-id_45182078,MCULE-7526076441,EMOLS-id_20450463	461.599	WNSIZSXQVAHBGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141936
CC(C)Cc1ccc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)cc1	PC-id_45181138,MCULE-2319781627,EMOLS-id_20446451	461.599	AQVVUFJIQHWQHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141937
CC(C)Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	CoCoCo_1195353,ZINC22_14879849,CoCoCo_1195352,PC-id_26275819	461.599	AQVVUFJIQHWQHO-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141938
CC(C)Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	CoCoCo_1195354,PC-id_26275821,ZINC22_14879850,CoCoCo_1195355	461.599	AQVVUFJIQHWQHO-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141939
CC(C)Oc1ccc(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)cc1	EMOLS-id_20471017,MCULE-7063957847,ChEMBL-DNDi_CHEMBL22450627,PC-id_45186886	461.599	MVCXSUQYTAQZDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141940
CC(C)Oc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	ZINC22_11813885,PC-id_28954291,CoCoCo_1229915,CoCoCo_1229916	461.599	MVCXSUQYTAQZDZ-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141941
CC(C)Oc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	ZINC22_11813887,CoCoCo_1229917,CoCoCo_1229918,PC-id_28954292	461.599	MVCXSUQYTAQZDZ-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141942
CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2)C(C)C	CoCoCo_1329208,CoCoCo_1329209,ZINC22_12160934	461.599	YUFRQQCODFRXJG-AREMUKBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141943
CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2)C(C)C	CoCoCo_1329211,ZINC22_12160930,CoCoCo_1329210	461.599	YUFRQQCODFRXJG-SANMLTNESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141944
CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(OCc3ccccc3)c1)CC2	CoCoCo_1262531,ZINC22_12037310,CoCoCo_1262532,PC-id_42368506	461.599	VGNLUJPSNNWQMO-RUZDIDTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141945
CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(OCc3ccccc3)c1)CC2	ZINC22_12037312,PC-id_42368510,CoCoCo_1262533,CoCoCo_1262534	461.599	VGNLUJPSNNWQMO-VWLOTQADSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141946
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(CC(C)C)cc3)CCn12	ChEMBL-DNDi_CHEMBL67462022,CoCoCo_1506860,PC-id_28464512,EMOLS-id_20658471,ZINC22_19939259,MCULE-1687114140,CoCoCo_1506861	461.599	ZWMWLKROFKLNPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141947
COc1cc(C)c(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)cc1C	PC-id_45212167,MCULE-2359692444,EMOLS-id_20581279	461.599	NVAWACSKFIXXLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141948
COc1cc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C	ZINC22_14993808,PC-id_26349099,CoCoCo_1390316,CoCoCo_1390317	461.599	NVAWACSKFIXXLM-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141949
COc1cc(C)c(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C	ZINC22_14993811,CoCoCo_1390318,PC-id_26349102,CoCoCo_1390319	461.599	NVAWACSKFIXXLM-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141950
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(CC(C)C)cc2)CC3)c1	CoCoCo_1200987,ZINC22_14881791,CoCoCo_1200986	461.599	WNSIZSXQVAHBGV-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141951
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(CC(C)C)cc2)CC3)c1	ZINC22_14881792,CoCoCo_1200985,CoCoCo_1200984	461.599	WNSIZSXQVAHBGV-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141952
COc1ccc(C(=O)N[C@@H](c2nnc3n2CCN(Cc2ccc(C)c(C)c2)CC3)C(C)C)cc1	CoCoCo_1213535,PC-id_26281310,ZINC22_14887126,CoCoCo_1213534	461.599	OPYZIHFSCOBSMT-RUZDIDTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-141953
COc1ccc(C(=O)N[C@H](c2nnc3n2CCN(Cc2ccc(C)c(C)c2)CC3)C(C)C)cc1	CoCoCo_1213536,CoCoCo_1213537,ZINC22_14887123,PC-id_26281308	461.599	OPYZIHFSCOBSMT-VWLOTQADSA-N	00000000100000110101000000000010000000000000000000000000	31-01-141954
O=C1N(CCCCN2CCN(CC2)c2ncccn2)CCS(=O)c2c1cc(s2)C(=O)C	PC-id_19881086,SCHEMBL9037839	461.601	FZAFOYXMIXLSGL-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-141955
O=C(CSc1nnc2n1CCCCC2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC22_8852696,PC-id_17556572,CoCoCo_4054277	461.601	OVBSZGPBIAOORP-MHWRWJLKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141956
O=C(N1CCN(CC1)S(=O)(=O)/C=Cc1ccccc1)CSc1nnc2n1CCCCC2	CoCoCo_4054278	461.601	OVBSZGPBIAOORP-YBEGLDIGSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141957
O=C(N1CCN(CC1)S(=O)(=O)C=Cc1ccccc1)CSc1nnc2n1CCCCC2	MCULE-5577082902,PC-id_72067740	461.601	OVBSZGPBIAOORP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141958
s1c2CCCCCc2nc1NC(=O)CCc1n(c2c(n1)cc(S(=O)(=O)N(C)C)cc2)C	PC-id_24611803	461.601	OZTONAGKQFQSQK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141959
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCCCCCCCCC2)c1C(=O)OCC	SPECS-id_AK-968/41017378,PC-id_4097512,EMOLS-id_4146324,TIMTEC141363,MCULE-5043538928	461.614	FDJLMPBQEBOIHT-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-141960
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	CoCoCo_6790066,PC-id_11863989,ZINC22_2754668	461.614	FDJLMPBQEBOIHT-ZWKOTPCHSA-N	00000000100011000100000000000010000000000000000000000000	31-01-141961
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	PC-id_40436383,CoCoCo_6790065,ZINC22_2754671	461.614	FDJLMPBQEBOIHT-MSOLQXFVSA-N	00000000100011000100000000000010000000000000000000000000	31-01-141962
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	PC-id_7027735,ZINC22_2754670,CoCoCo_6790067	461.614	FDJLMPBQEBOIHT-ROUUACIJSA-N	00000000100011000100000000000010000000000000000000000000	31-01-141963
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_2754669,CoCoCo_6790068,PC-id_40436381	461.614	FDJLMPBQEBOIHT-QZTJIDSGSA-N	00000000100011000100000000000010000000000000000000000000	31-01-141964
c1(NC(=O)CC(c2ccccc2)c2ccccc2)sc2c(CCCCC2)c1C(=O)OCCC	CoCoCo_6787811,TIMTEC258604,PC-id_5104173,ZINC22_2734231,SPECS-id_AK-968/11841331,MCULE-7841646260,EMOLS-id_4146330	461.616	KEDPHQUXJHNSPC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141965
O=C(OCC(=O)N(CCc1ccccc1)CCc1ccccc1)c1cc2c(s1)CCCCC2	MCULE-9916394137,PC-id_2539989,EMOLS-id_3308897,ZINC22_3420744,CoCoCo_2861342	461.616	FDHAZHPGIAAQPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141966
s1c2c(CCCCC2)c(c1NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)OC(C)C	PC-id_4099611	461.616	SWJYMYYHWITVFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141967
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(F)cc1)C(=O)OCC	PC-id_19654416	461.616	JTNWMSAWFZUJDS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141968
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(F)cccc1)C(=O)OCC	PC-id_19654947	461.616	YNAUPDXTTBHINW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141969
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccc(F)cc1)C(=O)OC	PC-id_20175938	461.616	IVTTUKGYWCXROL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141970
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1cc(F)ccc1)C(=O)OC	PC-id_20175821	461.616	RSRHKLBQUAJIOJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141971
s1c2c(CCCCCC2)c(c1NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)OCC	PC-id_3605356	461.616	ANADKQGEHLHQDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141972
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(F)cc1)C(=O)OC	PC-id_19654409	461.616	UMIWEQJYJHQXHP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141973
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(F)cccc1)C(=O)OC	PC-id_19654940	461.616	LIAFWGMILFZHDW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-141974
CCN(c1ccccc1)CCCC(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709933	461.619	VGLHYOQYKKPJSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-141975
c1(NC(=O)CSc2ncnc3sc(C)c(C)c23)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_3063688,PC-id_2132622,CoCoCo_3069157,MCULE-2067121386,ZINC22_2679506	461.621	MCDXJVBABMTKBJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-141976
CC(=CCC=C1C(=C)Nc2c(CN1C(=O)C1CCC(CC1)CNS(=O)(=O)C)cnn2C)C	PC-id_143188862	461.621	BDPHKUCLFQFQIR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141977
N#Cc1c(NC(=O)CC[N@@H+]([C@H](c2ccc(cc2)S(=O)(=O)N)C)C)sc2c1CCCCC2	GD-id_ZINC25795698	461.621	LJTHNWNCEPYRGF-HNNXBMFYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-141978
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+](C(c1cc(S(=O)(=O)N)ccc1)C)C)C#N	PC-id_75978470	461.621	LSBMHBOVLMKJQE-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-141979
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]([C@H](c1cc(S(=O)(=O)N)ccc1)C)C)C#N	PC-id_52881332	461.621	LSBMHBOVLMKJQE-HNNXBMFYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-141980
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]([C@@H](c1cc(S(=O)(=O)N)ccc1)C)C)C#N	PC-id_52881334	461.621	LSBMHBOVLMKJQE-OAHLLOKOSA-O	00000000100000110100000000000010000000000000000000000000	31-01-141981
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)CC(=O)NCCCOC)C)C#N	PC-id_24507385	461.621	OFYFYKXZTVWMFJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141982
CC(C[C@@H](c1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)N(c1ccccc1)C)NC(=O)C)C	GD-id_ZINC12247879	461.622	IMRIJCFMZBNTDC-VWLOTQADSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141983
CCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)N(c1ccccc1)C)C(C)C	GD-id_ZINC12132863,PC-id_42423876	461.622	RADLQFIFSDMRQZ-AREMUKBSSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141984
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C(C)C)c1ncccc1	PC-id_74800307	461.622	ATYIVIIOJOCBFP-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-141985
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C(C)C)CC	PC-id_74802112	461.622	RADLQFIFSDMRQZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141986
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1)C)c1c(cccc1)C	PC-id_74780294	461.622	DYDIILBWWQPBGC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141987
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1nc(ccc1)C)CC(C)C)c1cc(cc(c1)C)C	PC-id_74807784	461.622	UCEQJTKYUAECDX-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-141988
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C(C)C)c1ncccc1	PC-id_42372160	461.622	ATYIVIIOJOCBFP-VWLOTQADSA-O	00000000100000111101000000000010000000000000000000000000	31-01-141989
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C(C)C)c1ncccc1	PC-id_42372165	461.622	ATYIVIIOJOCBFP-RUZDIDTESA-O	00000000100000111101000000000010000000000000000000000000	31-01-141990
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C(C)C)CC	PC-id_42423872	461.622	RADLQFIFSDMRQZ-SANMLTNESA-O	00000000100000110101000000000010000000000000000000000000	31-01-141991
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1)C)c1c(cccc1)C	PC-id_42165619	461.622	DYDIILBWWQPBGC-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141992
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1)C)c1c(cccc1)C	PC-id_42165620	461.622	DYDIILBWWQPBGC-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-141993
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1nc(ccc1)C)CC(C)C)c1cc(cc(c1)C)C	PC-id_42485374	461.622	UCEQJTKYUAECDX-XMMPIXPASA-O	00000000100000111101000000000010000000000000000000000000	31-01-141994
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1nc(ccc1)C)CC(C)C)c1cc(cc(c1)C)C	PC-id_42485375	461.622	UCEQJTKYUAECDX-DEOSSOPVSA-O	00000000100000111101000000000010000000000000000000000000	31-01-141995
S(C(C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccccc1)c1ccccc1	PC-id_46534112	461.622	WLBZPUPJKSACPU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-141996
s1c(N(C2CC2)C(=O)C)nnc1SC(C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_24630348	461.624	TUJOOOBPIUNPSP-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-141997
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1occc1)C(=O)OCC	PC-id_20176396	461.641	PLUPCGWBSVDPDX-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-141998
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(nn(c1)C)C)C(=O)OC	PC-id_20176002	461.644	WQBHBFGZLSUFBL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-141999
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(n(nc1)C)C)C(=O)OC	PC-id_20176092	461.644	OHHWWUARGATHDE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142000
N#Cc1c(NC(=O)[C@@H]([N@@H+]2CCC[N@H+](CC2)CC(=O)NC(C)(C)C)C)sc2c1CCCCC2	GD-id_ZINC22792095	461.664	NWEXPTFJXGEIEE-KRWDZBQOSA-P	00000000100000000101000000000010000000000000000000000000	31-01-142001
N#Cc1c(NC(=O)[C@H]([N@@H+]2CCC[N@H+](CC2)CC(=O)NC(C)(C)C)C)sc2c1CCCCC2	GD-id_ZINC22792102	461.664	NWEXPTFJXGEIEE-QGZVFWFLSA-P	00000000100000000101000000000010000000000000000000000000	31-01-142002
N#CCCN(c1ccc(c(c1)C)N=Nc1sc2c(c1C#N)CCCCCCCCCC2)CC	PC-id_102065706	461.665	ACACYGQAABDOEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142003
c1(c2CCCCCCCCCCc2sc1NC(=O)c1csc(CC)c1)C(=O)OC(C)C	MCULE-9008982959,SPECS-id_AK-968/41017346,EMOLS-id_4146334,PC-id_4557035,CoCoCo_6792754,ZINC22_2807778,TIMTEC443320	461.68	SCIGVEFVDCFCRA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-142004
CCCCCSC1=C(C(CC)C)C(=O)N(C(c2n1ccc2)CNC(CCC)CCC)CC	PC-id_143130373	461.747	WDYUBFWDGPUDHU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-142005
Ic1ccc(c(c1)Cl)Nc1cc2c(s1)C(=O)NCC(C2N)(C)C	SCHEMBL17121639,PC-id_118401878	461.748	CZDVENSXNHRUHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142006
Clc1n(nc(c1C=C(c1n2CCCCCc2nn1)C#N)C)Cc1c(Cl)cc(Cl)cc1	EMOLS-id_26092981,PC-id_4832532,MCULE-9904978290	461.775	UUPFDEIPNCIMOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142007
Clc1n(nc(c1/C=C(/c1n2CCCCCc2nn1)C#N)C)Cc1c(Cl)cc(Cl)cc1	PC-id_6216405,CoCoCo_3456466	461.775	UUPFDEIPNCIMOM-OQLLNIDSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142008
N#C/C(=C/c1c(C)nn(c1Cl)Cc1ccc(cc1Cl)Cl)/c1nnc2n1CCCCC2	CoCoCo_3456467	461.775	UUPFDEIPNCIMOM-DHDCSXOGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142009
C=C/C(=CC=C
/CC=CN1C)/C1=Cc2nc([nH]c2CC=C1Cl)Oc1ccc(c(c1)C(=O)O)C	PC-id_144504441	461.94	KXFFOGLPEHJEGU-YPOGWSRFSA-N	00000011100000110111000000000010000000000000000000000000	31-01-142010
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCc2nnc(CNC(=O)[C@H]3CCOC3)n2CC1	CoCoCo_1445968,PC-id_26322594,ZINC22_14961322	461.942	NVWNWVMOATYALV-CVEARBPZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-142011
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCc2nnc(CNC(=O)[C@H]3CCOC3)n2CC1	CoCoCo_1445969,PC-id_26322596,ZINC22_14961327	461.942	NVWNWVMOATYALV-HOTGVXAUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-142012
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCc2nnc(CNC(=O)[C@@H]3CCOC3)n2CC1	CoCoCo_1445970,PC-id_26322591,ZINC22_14961318	461.942	NVWNWVMOATYALV-JKSUJKDBSA-N	00000010100000110101000000000010000000000000000000000000	31-01-142013
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCc2nnc(CNC(=O)[C@@H]3CCOC3)n2CC1	ZINC22_14961314,PC-id_26322588,CoCoCo_1445967	461.942	NVWNWVMOATYALV-HZPDHXFCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-142014
CC(Oc1ccc(Cl)cc1C)C(=O)N1CCc2nnc(CNC(=O)C3CCOC3)n2CC1	PC-id_45220962,MCULE-7841437499,EMOLS-id_20618573	461.942	NVWNWVMOATYALV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-142015
Clc1c(CN2CCn3c(nnc3C(NC(=O)C3CCOCC3)C)CC2)cc2OCOc2c1	PC-id_45166178	461.942	SCDUPCQCDRYQTN-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-142016
Clc1c(C(N2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)C(=O)OC)cccc1	PC-id_55581153	461.942	GBVPBMDGXBBOAW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142017
c12C(=O)N(CCCn1nc(C(=O)NCCc1c[nH]c3ccc(Cl)cc13)c2)Cc1ccccc1	PC-id_50798069,MCULE-5816764115,EMOLS-id_32846036	461.943	POQHTZFIFAAUDT-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-142018
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC(CO)O)Nc1c(cc(cc1)C#C)Cl)C	PC-id_91170459	461.962	PCVHHPNYQWPIPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142019
Clc1ccc(C(=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)C)cc1	PC-id_3457722	461.962	QVWCWECSNJHHLG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142020
Clc1ccc(/C(=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)/C)cc1	PC-id_9621537	461.962	QVWCWECSNJHHLG-DHRITJCHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142021
O=C(N1CCCC1C(=O)O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2c1ccs2	PC-id_142197462	461.962	WNQRBNLQAWCVQC-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-142022
Clc1ccc(C2NC(=O)NC(=C2C(=O)OCC)CSc2n3CCCCCc3nn2)cc1	PC-id_24577592	461.965	UPBLNUIUENNJAT-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-142023
c1(C(CC(C)C)NC(=O)CCOC)nnc2CCN(CCn12)C(=O)Cc1ccccc1Cl	ChEMBL-DNDi_CHEMBL22512422,MCULE-2535186783,PC-id_45186977,EMOLS-id_20471385	461.985	YPCNLJINHNFZFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142024
COCCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C(=O)Cc1ccccc1Cl)CC2	CoCoCo_1230491,ZINC22_11814096,PC-id_42190541	461.985	YPCNLJINHNFZFR-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142025
COCCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)Cc1ccccc1Cl)CC2	PC-id_42190536,CoCoCo_1230490,ZINC22_11814093	461.985	YPCNLJINHNFZFR-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-142026
Clc1ccc(c2n(CC(=O)NNC(=O)c3sc4CCCCCc4c3)c(=S)[nH]n2)cc1	PC-id_24554121	461.988	LSAVUKPKVFGWGE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142027
Clc1c(C[NH+]2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc(F)c1	PC-id_51606421	462.003	KKEGCNZOPYBKNN-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-142028
Clc1ccc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_22198453	462.005	KJQOVSLPPNSMKU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142029
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_22198661	462.005	BYHGQBKMUDYRAF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142030
Clc1sc(S(=O)(=O)N(CC(=O)NNC(=O)c2sc3CCCCCc3c2)C)cc1	PC-id_31845608	462.006	FTIRLQQRQKGRKU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-142031
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)c(Cl)c2c(cc(cc2)C)s1	EMOLS-id_4146494,ZINC22_2753258,CoCoCo_5824618,PC-id_3563188,TIMTEC449224,MCULE-3213400299	462.025	SIVWYGMNTPAUOD-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-142032
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)c(Cl)c2c(cc(cc2)C)s1	ZINC22_2083941,CoCoCo_5818007,EMOLS-id_4146500,SPECS-id_AK-968/12163674,TIMTEC402797,MCULE-3769756474,PC-id_1742786	462.025	QJCPWVTWFOXIGN-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-142033
Clc1c(sc2c1ccc(c2)C)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_3525854	462.025	QEXWVBOJXDWZMS-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-142034
COC(=O)C(Cc1n(Cc2ccc(cc2)Cl)c2c(c1SC(C)(C)C)CCCCC2)(C)C	PC-id_139633765	462.088	JFZQCSRBAVHBNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142035
CC(C)(C#CC[C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)F	PC-id_154682262	462.117	DANZSOHJQSHFOM-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142036
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CC3=C(CCNC(=O)C2=O)C=NS3	PC-id_148778129	462.128	OJTQQHSXEOPPPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142037
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CC3=C(CCNC(=O)C2=O)SC=N3	PC-id_161304722	462.128	VICCWELAKBIITF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142038
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CCC3=C(CNC(=O)C2=O)N=CS3	PC-id_161343595	462.128	VMZRTWGFRHBYOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142039
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CCC3=C(CNC(=O)C2=O)SC=N3	PC-id_147123611	462.128	BOVTYZAWUUKHBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142040
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)F)CC[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)F	PC-id_154991306	462.134	BRBJEPBRFHOBAD-FCBBPLNGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142041
BrC1=CCCc2c(CC1)c(n(c2C(F)(F)F)C(=O)OC(C)(C)C)C(F)(F)F	PC-id_138968952	462.225	UBSDIVLRMROQFY-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-142042
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCC)CCC)cc1)C(=O)N	PC-id_23829322	477.64	JASKIVZAWMNKRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146825
CCN(CC)CCN1CCCC2=C(C1=O)C(=C(N2)/C=C/C4=C(C=CC(=C4)CC(=O)C)NC3=O)C	PC-id_146828308	462.263	SDMXBJVNXIVLIX-PGMHBOJBSA-N	00000010100000100100000000001010000000000000000000000000	31-01-142043
CC(C)C(C(=O)CC1CC2=C(CCCCCNC(=O)C1=O)NN=C2)NC(=O)OCC(C)(C)C	PC-id_160166637	462.284	PCMOMYPWZMTNKF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142044
CC(C)C(C(=O)CC1CCC2=C(CCCCNC(=O)C1=O)NN=C2)NC(=O)OCC(C)(C)C	PC-id_160865604	462.284	SLBPYQOEIHURRK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142045
CC(C)C(C(=O)CC1CCCCC2=C(CCNC(=O)C1=O)C=NN2)NC(=O)OCC(C)(C)C	PC-id_146889761	462.284	SYYZGFMJNKENOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142046
Brc1cn(nc1C)CCCNC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F	PC-id_19523788	462.307	YKZMMJNCCIMYKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142047
Brc1c(nn(c1)CC)CN(C(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)C	PC-id_19531188	462.307	DHBNZWWSWBOQDA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142048
Brc1ccc2C(=O)N(CCCC(=O)Nc3nc4CCCCCc4s3)C(=O)c2c1	EMOLS-id_334602876,MCULE-7183711514	462.36	AEGBFSMEAXFWNY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-142049
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cc(OCC(F)F)cc([N+](=O)[O-])c1	PC-id_19523716	462.371	VHMJDEDTONOWRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142050
CCC(CC)COc1c(cc(cc1)Br)Cn1c2c(C=C(CNC2)C(=O)O)c(n1)C	SCHEMBL20628810,PC-id_137397347	462.38	DVZDDNSFIMFBBX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-142051
CCOCCN(CCCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(B)cc2)C	SCHEMBL13480128	462.392	NQLFETPPVIWJQI-SILNSSARSA-N	00000010100000100100000000001010000000000000000000000000	31-01-142052
Brc1ccc(cc1)/C=CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCC2	PC-id_92915071,CoCoCo_6808031	462.4	NMVRXSAXKPQILI-RAXLEYEMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142053
Brc1ccc(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cc1	PC-id_3557388	462.4	OSOFUJVLPPJWEY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142054
Brc1ccc(/C=C/C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cc1	PC-id_5860151	462.4	OSOFUJVLPPJWEY-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142055
Brc1ccc(C=CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_4337915	462.4	OKVWTBJDAXGHCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142056
Brc1ccc(/C=C/C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_6073536	462.4	OKVWTBJDAXGHCZ-SDNWHVSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142057
c1(c2CCCCCc2sc1NC(=O)C=Cc1ccc(cc1)Br)C(=O)OC(C)C	MCULE-2786796862,PC-id_3323066	462.4	NMVRXSAXKPQILI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142058
CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(Br)cc2)sc2c1CCCCC2	PC-id_5793171,CoCoCo_6808030,EMOLS-id_45936236,TIMTEC336300,SPECS-id_AK-968/11841408,ZINC22_8396344	462.4	NMVRXSAXKPQILI-JLHYYAGUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142059
Brc1ccc(C(=O)N2CCC(CC2)C(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_24603993	462.403	SEEURDWAOUYQRQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142060
Brc1ccc(NC(=O)C2CCCN(C2)C(=O)c2sc3c(CCCCC3)c2)nc1	PC-id_55932279	462.403	MWNVFDSYUGRMKJ-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-142061
C(C(F)(F)F)(C(F)(F)F)(NC(=O)OCC)Nc1sc2c(CCCCC2)c1C(=O)OC	CoCoCo_1954415,EMOLS-id_4404223,ZINC22_3671513,STOCK1S-70674,PC-id_3437469,MCULE-3099164600,TIMTEC211050	462.407	IDKJMWZFPMNLBO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-142062
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1cccnc1)Nc1sc2c(CCCCC2)c1C#N	EMOLS-id_4408592,ZINC22_2283571,MCULE-4929964668,STOCK1S-78572,PC-id_1906773	462.412	TUZNBTJGEBZKNO-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-142063
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccncc1)Nc1sc2c(CCCCC2)c1C#N	STOCK1S-74159,MCULE-8392222048,ZINC22_2281518,TIMTEC497824,EMOLS-id_4406190,CoCoCo_1743487,PC-id_1905266	462.412	VEZFEQYPDIWQRT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-142064
COC(=O)c1cccc2-c(c1)c(cc2C(=O)c1ccccc1)C(=O)c1ccc(cc1)C(F)(F)F	PC-id_145978991	462.417	KORRLADJMLDUDJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-142065
OC(=O)COC1=CC=CCc2c1nc(o2)Cc1sc(nc1C)c1ccc(cc1)C(F)(F)F	PC-id_143069358	462.442	UTNOAHCIODLEIX-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-142066
CCOC(=O)c1c2-c(ccc(cc2)CC(=O)N(C(=O)OCCO)OC)c(c1N)C(=O)OCC	SCHEMBL8159941,PC-id_88257289	462.45	QMTYTJOCDFUGAE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142067
CCOC(=O)CON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)O	SCHEMBL8159947	462.45	LYGIPBNQULLUKQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142068
OCCOC(=O)CONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	PC-id_54307292,SCHEMBL8159943	462.45	SIKLVOSMIWKKNC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142069
Fc1ccc(c(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	SCHEMBL8797460,PC-id_57156715	462.46	KYCJEAFZTQVRLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142070
O=C(N1CCCCc2c1ccs2)c1ccc(cc1)NC(=O)c1ccc(c(c1)C(F)(F)F)F	SCHEMBL8797050,PC-id_57231290	462.46	FKMKVZNCLPOSCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142071
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(cccc2F)C(F)(F)F)cc1	PC-id_57169690	462.46	CEZWZZRECGWPRP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142072
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2cc(ccc2F)C(F)(F)F)cc1	PC-id_57172578	462.46	DHMJNGXACBWZKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142073
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2cc(cc(F)c2)C(F)(F)F)cc1	PC-id_57168638	462.46	UIJSCCOVPJPAOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142074
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(F)c(ccc2)C(F)(F)F)cc1	PC-id_57061204	462.46	KWXILVOHXWRSFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142075
s1c2CCCCN(c2cc1)C(=O)c1ccc(NC(=O)c2c(F)cc(cc2)C(F)(F)F)cc1	PC-id_57205765	462.46	MXUZBCPMVQQVBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142076
FC(F)(F)c1cc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(F)cc3)CC2)ccc1	PC-id_42325726	462.463	QKQXPRFLFIZKTG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142077
FC(F)(F)c1cc(C[NH+]2CCn3c(nnc3CNC(=O)Cc3cc(F)ccc3)CC2)ccc1	PC-id_42418144	462.463	WSLAORODSVFQLU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142078
FC(F)(F)c1c(CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc(n2nc(cc2C)C)c1	PC-id_56097876	462.468	HJGJKAAPMOSWQS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142079
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)(C)Cc1cccnc1)Nc1ccc(c(c1)F)F	SCHEMBL18353404	462.47	GZMLTOILFJLXLD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142080
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)(C)Cc1ccncc1)Nc1ccc(c(c1)F)F	SCHEMBL18352955	462.47	HTFQFOQZYPMLMS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142081
O=C(O)COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCCNC3)cc1OCC(=O)O	CHEMBL423132,BindingDB_PC-id_44321295,PC-id_44321295	462.473	NPNSEDOLVQCILC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142082
O=C(O)COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCNCC3)cc1OCC(=O)O	CHEMBL314519,PC-id_44321274,BindingDB_PC-id_44321274	462.473	TVZONMAFMCMGKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142083
s1c2CCCCCCc2cc1C(=O)Nc1c(cc(NC(=O)c2occc2)cc1)C(F)(F)F	PC-id_55501347	462.485	SAFGFDSKJZHSNO-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-142084
O=C(COc1noc(c1)C)NCCCCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041545,PC-id_138671174	462.486	BWZXBDCYCHEEJE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142085
FC(F)(F)c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3ccoc3)C(C)C)CC2)ccc1	PC-id_42357779	462.488	PASQWJBVSAROBS-HXUWFJFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-142086
FC(F)(F)c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ccoc3)C(C)C)CC2)ccc1	PC-id_42357783	462.488	PASQWJBVSAROBS-FQEVSTJZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-142087
FC(F)(F)c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3ccoc3)C(C)C)CC2)ccc1	PC-id_74798936	462.488	PASQWJBVSAROBS-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-142088
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(n(nc1)c1ccc(cc1)C)C(F)(F)F	PC-id_36760175	462.488	MUFBRBSWWIEILV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142089
OCCOCCON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)C	PC-id_23296711,SCHEMBL8152285	462.493	BCOPHLSBVLNKDG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142090
ClCc1nc2n(c1)C=CC(C=C2)(C)[I](I)C	PC-id_142279247	462.496	VNKDHTPTLZCWRH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-142091
O=c1n(c2-c(c1C(c1c3-c(n(c1=O)C)ccccc3)c1cc(cc(c1)C=O)C=O)ccccc2)C	PC-id_10983432	462.496	AXSAHPIDIQTMCX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-142092
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C#N)C#N	PC-id_19102881,SCHEMBL9335474	462.499	QKMOVTIKXFBFGN-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-142093
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(OCc2nc3n(c2)cccc3)c(OC)cc1	PC-id_55949973	462.501	WVQKGEYCVVFRRR-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-142094
CC(C)C(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86267513,SCHEMBL20952888	462.508	GVTFVVHSSPKVHN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142095
O=C1C(C)CCC(=O)c2c(N1C)nc(n2Cc1ccc(cc1)C(F)(F)F)NC1CCCCC1	PC-id_142130071	462.508	ZJAUKACLXXXMLZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142096
CC([C@@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(cc1)OC(F)(F)F)NS(=O)(=O)C)C	GD-id_ZINC12079851	462.51	YZEYCDACSMVKAP-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142097
s1c(c2OCCOCCOCCOCCOCCOc2c1C(=O)OCC)C(=O)OCC	PC-id_14340373	462.511	OBOHNDNXIXWUIZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142098
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc(c2c1nc(cc2C(F)F)C)C)C(=O)OC	PC-id_19497328	462.513	BYHVSKMFAZHJSD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-142099
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)c(OCC(=O)N)c(OC)c1)C(=O)OC	PC-id_55763203	462.516	RSLRYPILELWGMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142100
CC(C(C(=O)NC1Cc2cnoc2CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110265,PC-id_138731105	462.519	WWLMKGOFLAGNRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142101
CC(C(C(=O)NC1Cc2ncc(o2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730656,SCHEMBL21109811	462.519	MAGVXZMODJKDBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142102
CC(C(C(=O)NC1CCc2coc(n2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730452,SCHEMBL21109607	462.519	AEOPKYOMYUQWCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142103
Fc1cccc(c1)C(=O)NCc1nnc2CCN(CCn12)C(=O)c1ccc(cc1)N1CCCC1	MCULE-3916778483,EMOLS-id_20713097,CoCoCo_1590615,PC-id_42419503,ZINC22_12125856	462.519	FMMQFBCFCVIMNL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-142104
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(Oc2cccnc2)nccc1)C)C#N	PC-id_56429984	462.521	XQRHGNKJYDGSEZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-142105
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1nn(Cc2ccccc2)c(=O)cc1)C#N	PC-id_29339405	462.521	AZCCBUVIFDWFIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142106
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C(=C(C#N)C#N)C(=C(C#N)C#N)c1cccs1	PC-id_102391037	462.522	UWIIJJBRRULYDD-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-142107
Fc1c2/C(=C/c3c4-c(c(OCCCN5CCCCC5)cccc4)c(c3)C)/C(=O)Nc2ccc1F	PC-id_52946431,BindingDB_PC-id_52946431,CHEMBL1258945	462.531	WIVPJXDZBUAWKC-FXBPSFAMSA-N	00000010100010100110000000001010000000000000000000000000	31-01-142108
Fc1c2C(=Cc3c4-c(c(OCCCN5CCCCC5)cccc4)c(c3)C)C(=O)Nc2ccc1F	PC-id_73952820	462.531	WIVPJXDZBUAWKC-UHFFFAOYSA-N	00000010100010100110000000001010000000000000000000000000	31-01-142109
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(ccc1)C(F)(F)F)C#N	PC-id_22199154	462.531	MQSAJPRXBYAWDG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142110
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(CCn12)C(=O)Cc1cc(F)ccc1F	PC-id_45178916,MCULE-2216628364,ChEMBL-DNDi_CHEMBL16894992,EMOLS-id_20436575	462.536	HXTFVBSKJVUORH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142111
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)Cc1cc(F)ccc1F)CC2	CoCoCo_1181803,ZINC22_12193219,PC-id_42453947	462.536	HXTFVBSKJVUORH-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-142112
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)Cc1cc(F)ccc1F)CC2	ZINC22_12193209,PC-id_42453939,CoCoCo_1181802	462.536	HXTFVBSKJVUORH-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142113
ONCC(=O)[C@H](C(=O)NC(C(=O)O)Cc1ccccc1)CCCCc1ccc2-c1ccccc2	PC-id_140404167	462.537	FSYBYDWHEUUHNL-MIHMCVIASA-N	00000010100000110110000000000010000000000000000000000000	31-01-142114
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)C#CC(O)(C)C)ccc1	PC-id_42322309	462.539	DVJQYRTYSKNDLO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142115
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OC)c1)OCC)c2)Cc1ccc(cc1)C	MCULE-5215570574,PC-id_50797922,EMOLS-id_32846158	462.541	JZZUGPFAMYANOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142116
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OC)c1)OCC)c2)Cc1cccc(C)c1	MCULE-9025030772,EMOLS-id_32633224,PC-id_53086396	462.541	LCQRCVARPUUVQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142117
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OCC)c1)OC)c2)Cc1ccc(cc1)C	EMOLS-id_32846156,MCULE-4271597024,PC-id_50797915	462.541	ZTABJBLNZJKNED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142118
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OCC)c1)OC)c2)Cc1cccc(C)c1	EMOLS-id_32633212,MCULE-8940526604,PC-id_53086390	462.541	KSUICPUEBRJHLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142119
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(c(OC)c1)OC)c2)Cc1ccc(cc1)C	MCULE-3466802159,PC-id_16028671,EMOLS-id_32846104,CHEMBL1473398	462.541	KQJDBDHOEJWNOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142120
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(c(OC)c1)OC)c2)Cc1cccc(C)c1	MCULE-9463985256,PC-id_53086382,EMOLS-id_32633104	462.541	BZTAYEVCJIBCNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142121
c1(C(=O)Nc2c(OCC)cc(c(OCC)c2)NC(=O)c2ccccc2)c2CCCCCc2[nH]n1	EMOLS-id_335131340,MCULE-7634639151	462.541	KHYHNTOHXDYNCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142122
COc1c(cc(cc1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CC1CC1)OC	PC-id_134809017	462.541	PAXVZWOPPVOVAC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-142123
O=C(CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1c(C)ccc2)CN1CCOCC1	PC-id_145511785	462.541	ZOGIXXDHULVPTI-UYRXBGFRSA-N	00000010100010100101000000001010000000000000000000000000	31-01-142124
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNc1nccs1)Cc1ccccc1F	PC-id_134810898	462.542	LOIKDFHODBSUCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142125
Cc1[nH]c2c(n1)C(=C)CN(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	PC-id_142249618	462.542	MYDBJTOUCAZGSS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142126
CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1[N+](=O)[O-]	ZINC22_32125266,PC-id_20166128	462.542	GFCIXRUFNHNTCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142127
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc4c(OCO4)c3)CCn12	EMOLS-id_20746419,MCULE-4065667252,PC-id_45252114	462.544	UMYDJGDALXVCBL-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-142128
CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	CoCoCo_1642259,CoCoCo_1642258,PC-id_26401665,ZINC22_15070546	462.544	UMYDJGDALXVCBL-HXUWFJFHSA-N	00000010100000101101000000001010000000000000000000000000	31-01-142129
CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2	PC-id_26401668,CoCoCo_1642260,CoCoCo_1642261,ZINC22_15070548	462.544	UMYDJGDALXVCBL-FQEVSTJZSA-N	00000010100000101101000000001010000000000000000000000000	31-01-142130
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(NC(=O)C)cc3)CCn12	CoCoCo_1520330,CoCoCo_1520329,ZINC22_20118865,PC-id_28641324,ChEMBL-DNDi_CHEMBL70299606,EMOLS-id_20667415,MCULE-3816952673	462.544	BJXXYPLTBKCSHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142131
N(=Nc1ccc(c2ccc(/N=N/c3c4-c(cc3)ccccc4)cc2)cc1)c1c2-c(cc1)ccccc2	PC-id_10766479	462.544	PYJQKSCJRHLBTF-IQJDZYBGSA-N	00000010100000110110100000000010000000000000000000000000	31-01-142132
O=C(C1CCCCC1)NCCc1nnc2n1CCN(CC2)C(=O)c1onc(c1)c1ccccc1	ChEMBL-DNDi_CHEMBL93024392	462.544	HXFKONADUYQXRH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142133
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)COc1ccc(Oc2ncccc2)cc1	PC-id_43057213	462.544	MMQPBPVCQYLODB-UHFFFAOYSA-N	00000000100010111101000000000010000000000000000000000000	31-01-142134
N#C/C(=C
/NN=C2N1CCCCC2)/C(=O)C[NH+]1CCN(CC1)S(=O)(=O)c1c(C)noc1C	GD-id_ZINC10025385,PC-id_41322033	462.546	DENCBJPBACZOPQ-CAPFRKAQSA-O	00000011100010000111000000000010000000000000000000000000	31-01-142135
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)C(=C1N2CCCCCC2=NN1)C#N)c1c(onc1C)C	PC-id_74757079	462.546	DENCBJPBACZOPQ-UHFFFAOYSA-O	00000011100010000111000000000010000000000000000000000000	31-01-142136
O=C(NCc1n2CCCCCc2nn1)c1ccc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24646629	462.547	DOAZIIMJDLJOOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142137
O=C(Cc1cnc(s1)C)NCCCCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21042332,PC-id_138671907	462.553	JSUOGJKDQATHJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142138
Fc1ccc(cc1)C(=O)[C@@H]1CC[N@H+](CC1)CCCN1CCC(=O)c2c(S1(=O)=O)ccn2C	GLL_PC-id_9868923	462.557	BYOVCUQHRVVXLI-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-142139
O=C(O)COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1	ZINC22_408970546	462.561	BEUOMFYYABYFAR-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-142140
O=C(O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408970097	462.561	APJAYASWIUXTBS-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-142141
CN(C)c1ccc(/C=C/CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1	ZINC22_11787708,CoCoCo_1167600,EMOLS-id_44851421,PC-id_42168134,CoCoCo_1167598	462.562	PFFNXXCXLLIERG-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142142
Fc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(cc3)N3CCCC3)CCn12	PC-id_29154126,CoCoCo_1306529,EMOLS-id_20524345,ZINC22_20785528,MCULE-3425576946,CoCoCo_1306528	462.562	RDIWVYUYSWNHRH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-142143
Fc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)C/C=Cc1ccc(cc1)N(C)C	CoCoCo_1167599,CoCoCo_1167597	462.562	PFFNXXCXLLIERG-ARJAWSKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142144
n12CCN(CCc1nnc2CCNC(=O)c1ccc(cc1)F)CC=Cc1ccc(cc1)N(C)C	MCULE-7801530002,PC-id_74780589	462.562	PFFNXXCXLLIERG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142145
N#Cc1c(NC(=O)CN2CCN(C(=O)c3cc4ccccc4o3)CC2)sc2c1CCCCC2	PC-id_34011548,EMOLS-id_30028387,CoCoCo_4841430,ZINC22_26728060,MCULE-6459957019	462.564	NAGMWAWTGXZIHW-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-142146
O1c2cc(CC(C[NH+]3CCn4c(nnc4CNC(=O)Cc4ccccc4)CC3)C)ccc2OC1	PC-id_74806507	462.564	BYALXDQFKXOVHM-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-142147
O1c2cc(C[C@H](C[NH+]3CCn4c(nnc4CNC(=O)Cc4ccccc4)CC3)C)ccc2OC1	PC-id_42473011	462.564	BYALXDQFKXOVHM-LJQANCHMSA-O	00000010100000110101000000001010000000000000000000000000	31-01-142148
O1c2cc(C[C@@H](C[NH+]3CCn4c(nnc4CNC(=O)Cc4ccccc4)CC3)C)ccc2OC1	PC-id_42473013	462.564	BYALXDQFKXOVHM-IBGZPJMESA-O	00000010100000110101000000001010000000000000000000000000	31-01-142149
O1CC(CC1)C(=O)NCc1n2CC[NH+](CCc2nn1)Cc1ccc(OCc2ccccc2)cc1	PC-id_74793564	462.564	NYAFUHWBWHGWHJ-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-142150
O1C[C@@H](CC1)C(=O)NCc1n2CC[NH+](CCc2nn1)Cc1ccc(OCc2ccccc2)cc1	PC-id_42380519	462.564	NYAFUHWBWHGWHJ-JOCHJYFZSA-O	00000010100000110101000000000010000000000000000000000000	31-01-142151
O1C[C@H](CC1)C(=O)NCc1n2CC[NH+](CCc2nn1)Cc1ccc(OCc2ccccc2)cc1	PC-id_42380525	462.564	NYAFUHWBWHGWHJ-QFIPXVFZSA-O	00000010100000110101000000000010000000000000000000000000	31-01-142152
O(c1c(/C=C/C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)cccc1)C	PC-id_26402522	462.564	XZDORPQJQLQXKQ-FNORWQNLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142153
O(c1c(C=CC[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)cccc1)C	PC-id_74503151	462.564	XZDORPQJQLQXKQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142154
O(c1c(/C=C/C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)cccc1)C	PC-id_42370945	462.564	GPUDNLPACRRPAK-VQHVLOKHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142155
O(c1c(C=CC[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)cccc1)C	PC-id_74800138	462.564	GPUDNLPACRRPAK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142156
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cc(OC)ccc3)C)CC2)cccc1)CC=C	PC-id_42324446	462.564	RWPZDQFOMMOZGK-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-142157
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(OC)ccc3)C)CC2)cccc1)CC=C	PC-id_42324455	462.564	RWPZDQFOMMOZGK-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142158
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(OC)ccc3)C)CC2)cccc1)CC=C	PC-id_74792206	462.564	RWPZDQFOMMOZGK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142159
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1ccc(OC)cc1)C)COc1ccccc1	PC-id_74804275	462.564	FGIQUSLXAJZPSL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142160
O=C(NCCc1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)c1ccc(OC)cc1	PC-id_42367008	462.564	MROOGVXAJPWBJN-ONEGZZNKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142161
O=C(NCCc1n2CC[NH+](CCc2nn1)CC=Cc1ccc(OC)cc1)c1ccc(OC)cc1	PC-id_74799723	462.564	MROOGVXAJPWBJN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142162
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)C)COc1ccccc1	PC-id_42451724	462.564	FGIQUSLXAJZPSL-ROUKRRSUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142163
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(OC)cc1)C)COc1ccccc1	PC-id_42451726	462.564	FGIQUSLXAJZPSL-YJJPMGAVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142164
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCc1cn(nc1)c1ccccc1)C)C#N	PC-id_55441356	462.564	BROMFUZPOIPDRH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142165
S(=O)(=O)(N1CCN(CC1)CC)c1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55582986	462.566	YSTUSXMQUMOTCC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142166
S(=O)(=O)(N1CCN(CC1)CC)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55583414	462.566	XRTJUSZFTKYAQU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142167
Cc1oc(c(c1)C(=O)NCc1nnc2n1CCN(CC2)Cc1cnc(s1)c1ccccc1)C	ChEMBL-DNDi_CHEMBL52528673	462.567	ZOXSWHKDTCXTAW-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-142168
O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1cccc(S(=O)(=O)N2CCCC2)c1	CoCoCo_2861440,MCULE-7116402816,EMOLS-id_43703967,ZINC22_9961190,PC-id_16277184	462.582	RJGDZFTYUBAIAO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-142169
O(C(=O)N1CCC(CC1)CCN1CCCn2nc(cc2C1=O)C(=O)OC(C)(C)C)C(C)(C)C	PC-id_10766485	462.582	XFYOJYIYVNYXLJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142170
s1c2c(CCCCC2)c(c1NC(=O)CCSc1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_41325461	462.582	GVHGXTCGOLKRCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142171
s1c2c(CCCCC2)c(c1NC(=O)CSc1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_41320851	462.582	DOPLVGZIJUGMPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142172
S(=O)(=O)(N1C(Cc2c1ccc(c2)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C)C	PC-id_55762604	462.582	YLFFHUBMNVTUGE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-142173
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_23962847	462.582	ZUZFGFWFVSDJTO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-142174
S(=O)(=O)(N1CCCC1)c1ccc(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_16509472	462.582	DTLNIILQCBXBBS-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-142175
S(=O)(=O)(N1CCCC1)c1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_55377182	462.582	FGIVNEGBIBHKMG-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-142176
S(=O)(=O)(N1CCN(CC1)C(=O)COC(=O)c1sc2CCCCCc2c1)c1ccccc1	PC-id_2665072	462.582	HGLWWXJMZYCBJJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142177
S(=O)(=O)(N(C1CC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_41364003	462.582	RPHIGFBDCXVQAT-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-142178
N(c1c2-c(c(N(c3ccccc3)c3ccccc3)c1)ccccc2)(c1ccccc1)c1ccccc1	PC-id_54337133	462.584	TWGOIRWAZDNOMY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-142179
N(c1cc(N(c2ccccc2)c2ccccc2)cc2-c(c1)ccc2)(c1ccccc1)c1ccccc1	PC-id_54462478	462.584	XCOHGRVSFFVIOH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-142180
OC(CN1CCCCC1)CN1CCCc2[nH]c(c(c2C1=O)C)C=C1c2c(NC1=O)cccc2C	PC-id_72261525	462.584	PHTQTTPHWNJLOD-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-142181
O[C@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1c(C)ccc2)CN1CCCCC1	PC-id_59250072,SCHEMBL13415623	462.584	PHTQTTPHWNJLOD-QIYXJHPLSA-N	00000010100010100100000000001010000000000000000000000000	31-01-142182
O[C@@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1c(C)ccc2)CN1CCCCC1	SCHEMBL14212198,PC-id_71099985	462.584	PHTQTTPHWNJLOD-HZQOKBKYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-142183
NC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2CCCCCc2s1	MCULE-6547944221,EMOLS-id_323463608	462.586	KIQNICLEFPOXGE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142184
s1c2CCCCCCc2nc1NC(=O)C(NC(=O)c1cc([N+](=O)[O-])ccc1)CCSC	PC-id_56021718	462.586	CRMLGXUNDCTYOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142185
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1cccnc1	PC-id_30893050	462.586	JCKRPCFMSMKMPO-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-142186
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3c(C)cc(c(C)c3)OC)CCn12	PC-id_45169508,MCULE-5433496239,EMOLS-id_20396118	462.587	UCPRDHYZKQTCFI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142187
CC(C(c1nnc2n1CCN(CC2)Cc1ccc(cc1)N1CCCC1)NC(=O)c1cocc1)C	ChEMBL-DNDi_CHEMBL79008073	462.587	ARSHSMRRVARZIR-UHFFFAOYSA-N	00000010101000110101100000000010000000000000000000000000	31-01-142188
CCN(CC)c1ccc(CN2CCc3nnc(CNC(=O)c4ccccc4OC)n3CC2)cc1	MCULE-8425200977,CoCoCo_1393426,PC-id_26350272,CoCoCo_1393427,EMOLS-id_20583317,ZINC22_14994794	462.587	AWCIWEKCIDEUNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142189
CN1CCCC(C1)C(=O)NCCc1nnc2CCN(Cc3ccc(cc3)c3ccco3)CCn12	PC-id_45200830,MCULE-6086638776,EMOLS-id_20532197	462.587	UQDIKKAFGYDFSG-UHFFFAOYSA-N	00000000101010110101100000000010000000000000000000000000	31-01-142190
CN1CCC[C@H](C(=O)NCCc2nnc3n2CCN(Cc2ccc(c4ccco4)cc2)CC3)C1	CoCoCo_1317734,ZINC22_12132385,CoCoCo_1317732,CoCoCo_1317731,CoCoCo_1317733	462.587	UQDIKKAFGYDFSG-QFIPXVFZSA-N	00000000101010110101100000000010000000000000000000000000	31-01-142191
CN1CCC[C@@H](C(=O)NCCc2nnc3n2CCN(Cc2ccc(c4ccco4)cc2)CC3)C1	CoCoCo_1317736,CoCoCo_1317738,CoCoCo_1317735,ZINC22_12132378,CoCoCo_1317737	462.587	UQDIKKAFGYDFSG-JOCHJYFZSA-N	00000000101010110101100000000010000000000000000000000000	31-01-142192
COc1cc(C)c(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1C	CoCoCo_1126585,CoCoCo_1126586,PC-id_30852558,ZINC22_23129080	462.587	UCPRDHYZKQTCFI-XMMPIXPASA-N	00000000100000111101000000000010000000000000000000000000	31-01-142193
COc1cc(C)c(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1C	CoCoCo_1126588,CoCoCo_1126587,ZINC22_23129079,PC-id_30852557	462.587	UCPRDHYZKQTCFI-DEOSSOPVSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142194
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(cc3)N(C)c3ccccc3)CCn12	PC-id_45194748,EMOLS-id_20505339,ChEMBL-DNDi_CHEMBL28901923,MCULE-2299619685	462.587	RMBUDQDEIVAASP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142195
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	CoCoCo_1278981,PC-id_42272809,CoCoCo_1278980,ZINC22_11909009	462.587	RMBUDQDEIVAASP-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142196
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	PC-id_42272811,CoCoCo_1278978,ZINC22_11909010,CoCoCo_1278979	462.587	RMBUDQDEIVAASP-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142197
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)C(=O)CCc1c2ccccc2[nH]c1	EMOLS-id_20708113,MCULE-6144172469,PC-id_26344783,ZINC22_14990089	462.587	DLBDPOXAHSNAFQ-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-142198
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)cc2c1cccc2	PC-id_26320003	462.587	URZXAHOUMQALDF-GOSISDBHSA-O	00000000100000110101000001000010000000000000000000000000	31-01-142199
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)cc2c1cccc2	PC-id_26320007	462.587	URZXAHOUMQALDF-SFHVURJKSA-O	00000000100000110101000001000010000000000000000000000000	31-01-142200
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)cc2c1cccc2	PC-id_74495978	462.587	URZXAHOUMQALDF-UHFFFAOYSA-O	00000000100000110101000001000010000000000000000000000000	31-01-142201
O=C(c1ccccc1SCc1nnnn1c1ccccc1)Nc1nc2c(s1)CCCCC2	PC-id_112807879	462.59	XWEDWBFHDFYJJD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142202
C/C=C/c1ccc(cc1[C@H]1CCCC(CC1)C/C/1=C/CCCc2n(/C=C1)nc(c2C(=O)N)N)F	SCHEMBL21319576,PC-id_139455242	462.602	UHIRUDAHUDRMCZ-XEGDYYETSA-N	00000000100000110111100000000010000000000000000000000000	31-01-142203
NCCn1ccc2c1C(=CCC=C2)C(=O)N1CC[C@@H](C1)CN1CCC(CC1)c1ccc(cc1)F	PC-id_142015453	462.602	AWXGIXKXQPQOLW-OAQYLSRUSA-N	00000010100010110110100000000010000000000000000000000000	31-01-142204
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1c(C)cccc1C	ZINC22_2812241,MCULE-2098490554,PC-id_2174433,EMOLS-id_233082731,GD-id_ZINC02812241	462.604	RBKXZVBGDKDKNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142205
Cc1cc(c(cc1)C)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c(c(ccc1)OC)O	PC-id_135814614	462.604	QAVLSFBBNSAFDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142206
Cc1cc(c(cc1)C)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(c(cc1)O)OC	PC-id_135813415	462.604	CGUIDIPPAJZXJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142207
Cc1cc(cc(c1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c(c(ccc1)OC)O)C	PC-id_135609070	462.604	AKIWENFLIDPOCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142208
Cc1c(cc(cc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c(c(ccc1)OC)O)C	PC-id_135618718	462.604	ITZBKDWJBVKZDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142209
Cc1c(c(ccc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c(c(ccc1)OC)O)C	PC-id_135814317	462.604	DVMXQTQKCXHBCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142210
Cc1cc(cc(c1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(c(cc1)O)OC)C	PC-id_135670387	462.604	KABRPPVVNRQNJF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142211
Cc1c(cc(cc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(c(cc1)O)OC)C	PC-id_135796005	462.604	FWDKOPYWZKWHIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142212
Cc1c(c(ccc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(c(cc1)O)OC)C	PC-id_135799782	462.604	DATWAULTTQOJRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142213
CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408969368	462.604	MSUVEHMETQFKDL-MTDXEUNCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142214
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OC	ZINC22_408963625	462.604	HUSHDKFJTANXBS-MTDXEUNCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142215
CCOc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cccc1OC	ZINC22_408969975	462.604	YDLBWPKUUHBKJO-MTDXEUNCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142216
COc1ccccc1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)C)CCCCCC2	GD-id_ZINC20437586	462.604	NAAYORAWDFSCKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142217
COc1ccc(cc1)NC(=O)c1c(NC(=O)Cc2ccccc2C)sc2c1CCCCCC2	GD-id_ZINC20437771	462.604	RZTKINZIYKHBLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142218
COc1ccc(cc1)NC(=O)c1c(NC(=O)Cc2ccc(cc2)C)sc2c1CCCCCC2	GD-id_ZINC20437781	462.604	NHEFBXHURJEHJL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142219
COc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2C)sc2c1CCCCCC2	GD-id_ZINC20437889	462.604	KASMGQHOYULXQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142220
COc1ccccc1NC(=O)c1c(NC(=O)Cc2cccc(c2)C)sc2c1CCCCCC2	GD-id_ZINC20437892	462.604	VQMKXUHHSCPPIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142221
COc1ccccc1NC(=O)c1c(NC(=O)Cc2ccc(cc2)C)sc2c1CCCCCC2	GD-id_ZINC20437896	462.604	TWMYRWWDTYUVED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142222
COC(=O)c1ccc(cc1)CCc1ccc(cc1)NC(=O)c1c(N)sc2c1CCCCCC2	SCHEMBL16420840,PC-id_117838002	462.604	YJRYTTIZCIABCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142223
s1c2c(CCCCC2)c(c1NC(=O)CN(Cc1ccccc1)Cc1ccccc1)C(=O)OC	PC-id_22197455	462.604	XWXSHGQVHUCUPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142224
s1c2c(CCCCCC2)c(c1N/C=C
/C=C(OC)C(=O)C=C1)C(=O)Nc1c(c(ccc1)C)C	PC-id_23738570	462.604	UEFNJSJTBGKELY-KNTRCKAVSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142225
s1c2c(CCCCCC2)c(c1N/C=C
/C=C(OC)C(=O)C=C1)C(=O)Nc1c(ccc(c1)C)C	PC-id_23960681	462.604	OJTUATUECOEGEL-KNTRCKAVSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142226
s1c2c(CCCCCC2)c(c1N/C=C
/C=C(OC)C(=O)C=C1)C(=O)Nc1cc(c(cc1)C)C	PC-id_24047787	462.604	SHZSQSQGCNKZIY-KNTRCKAVSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142227
s1c2c(CCCCCC2)c(c1N/C=C
/C=C(OC)C(=O)C=C1)C(=O)Nc1cc(cc(c1)C)C	PC-id_24151349	462.604	WJTZMVXAOGLZSL-KNTRCKAVSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142228
s1c2c(CCCCCC2)c(c1NC=C1C=C(OC)C(=O)C=C1)C(=O)Nc1c(ccc(c1)C)C	PC-id_74097609	462.604	OJTUATUECOEGEL-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142229
s1c2c(CCCCCC2)c(c1NC=C1C=C(OC)C(=O)C=C1)C(=O)Nc1c(c(ccc1)C)C	PC-id_74112073	462.604	UEFNJSJTBGKELY-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142230
s1c2c(CCCCCC2)c(c1NC=C1C=C(OC)C(=O)C=C1)C(=O)Nc1cc(c(cc1)C)C	PC-id_74169784	462.604	SHZSQSQGCNKZIY-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142231
s1c2c(CCCCCC2)c(c1NC=C1C=C(OC)C(=O)C=C1)C(=O)Nc1cc(cc(c1)C)C	PC-id_74209558	462.604	WJTZMVXAOGLZSL-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142232
s1c2c(CCCCCC2)c(c1N/C=C
/C(=O)C(=CC=C1)OC)C(=O)Nc1c(c(ccc1)C)C	PC-id_23820870	462.604	DCFLNXNVWVZQQB-KNTRCKAVSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142233
s1c2c(CCCCCC2)c(c1N/C=C
/C(=O)C(=CC=C1)OC)C(=O)Nc1cc(cc(c1)C)C	PC-id_23911510	462.604	JPPILFABCSZBRK-KNTRCKAVSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142234
s1c2c(CCCCCC2)c(c1N/C=C
/C(=O)C(=CC=C1)OC)C(=O)Nc1c(ccc(c1)C)C	PC-id_24014565	462.604	HQCIJWICURRMDT-KNTRCKAVSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142235
s1c2c(CCCCCC2)c(c1N/C=C
/C(=O)C(=CC=C1)OC)C(=O)Nc1cc(c(cc1)C)C	PC-id_24023428	462.604	VEOFLZGWMOGVSI-KNTRCKAVSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142236
s1c2c(CCCCCC2)c(c1NC=C1C(=O)C(=CC=C1)OC)C(=O)Nc1c(c(ccc1)C)C	PC-id_74127086	462.604	DCFLNXNVWVZQQB-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142237
s1c2c(CCCCCC2)c(c1NC=C1C(=O)C(=CC=C1)OC)C(=O)Nc1cc(cc(c1)C)C	PC-id_74194725	462.604	JPPILFABCSZBRK-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142238
s1c2c(CCCCCC2)c(c1NC=C1C(=O)C(=CC=C1)OC)C(=O)Nc1c(ccc(c1)C)C	PC-id_74203573	462.604	HQCIJWICURRMDT-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142239
s1c2c(CCCCCC2)c(c1NC=C1C(=O)C(=CC=C1)OC)C(=O)Nc1cc(c(cc1)C)C	PC-id_74204272	462.604	VEOFLZGWMOGVSI-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-142240
s1c2CCCCCCc2cc1C(=O)N(c1c(n(CC(C)C)c(=O)[nH]c1=O)N)CCCOC	PC-id_60398077	462.605	PJOKAGZNQLBRKR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-142241
c1(ccccc1)C(c1ccccc1)NC(=O)C1CCCCc2c1nc(s2)NC(=O)[C@@H](NC)C	CHEMBL583551,PC-id_45487879	462.607	KZPLVUDQYHXKFQ-DIMJTDRSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142242
O(c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)cc1)C(C)C	PC-id_42190311	462.607	MVCXSUQYTAQZDZ-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142243
O(c1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)cc1)C(C)C	PC-id_42190313	462.607	MVCXSUQYTAQZDZ-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142244
O(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cc1)C(C)C	PC-id_74777558	462.607	MVCXSUQYTAQZDZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142245
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C)CC(C)C)CC2)ccc1)Cc1ccccc1	PC-id_42368505	462.607	VGNLUJPSNNWQMO-RUZDIDTESA-O	00000000100000110101000000000010000000000000000000000000	31-01-142246
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C)CC(C)C)CC2)ccc1)Cc1ccccc1	PC-id_42368509	462.607	VGNLUJPSNNWQMO-VWLOTQADSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142247
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)C)CC(C)C)CC2)ccc1)Cc1ccccc1	PC-id_74799893	462.607	VGNLUJPSNNWQMO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142248
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C)COc1ccccc1	PC-id_74493874	462.607	AQVVUFJIQHWQHO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142249
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)c1ccc(OC)cc1	PC-id_42499583	462.607	ZWMWLKROFKLNPT-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142250
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C)COc1ccccc1	PC-id_26275818	462.607	AQVVUFJIQHWQHO-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142251
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC(C)C)C)COc1ccccc1	PC-id_26275820	462.607	AQVVUFJIQHWQHO-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142252
s1c2c(nc1NC(=O)C(NC)C)C(CCCC2)C(=O)NC(c1ccccc1)c1ccccc1	PC-id_75117008	462.607	KZPLVUDQYHXKFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142253
Cc1ccc(cc1)S(=O)(=O)Nc1nc(CC(=O)Nc2nc3CCCCCc3s2)cs1	MCULE-1301533834,EMOLS-id_323422807	462.609	LOSFMQNEFFEREU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142254
CCc1n[nH]c2c1CN(CC(C2)CC(c1n[nH]c2c1CN(C2)CCOC)S)C(=O)COC	SCHEMBL20033612,PC-id_134402275	462.609	GPODIKQTCKCIMY-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-142255
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1sccc1)C)C(=O)OC	PC-id_19725423	462.609	VIYWASWQTOQSPF-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-142256
s1c2CCCCCc2c(c1NC(=S)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C#N	PC-id_24075430	462.609	JIAAEYWLAHFVEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142257
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1)c1c2nsnc2ccc1	PC-id_28065685	462.609	ZKODAKWIVSGFGJ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-142258
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCC2	GD-id_ZINC20168317,PC-id_28698229	462.622	SZMKHYLMFCQDMN-ZWKOTPCHSA-M	00000000100010000100000000000010000000000000000000000000	31-01-142259
s1c2c(CCCCCCCCCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)OCC	PC-id_74567012	462.622	SZMKHYLMFCQDMN-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-142260
s1c2c(CCCCCCCCCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_28698221	462.622	SZMKHYLMFCQDMN-MSOLQXFVSA-M	00000000100010000100000000000010000000000000000000000000	31-01-142261
s1c2c(CCCCCCCCCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_28698224	462.622	SZMKHYLMFCQDMN-ROUUACIJSA-M	00000000100010000100000000000010000000000000000000000000	31-01-142262
s1c2c(CCCCCCCCCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_28698227	462.622	SZMKHYLMFCQDMN-QZTJIDSGSA-M	00000000100010000100000000000010000000000000000000000000	31-01-142263
O(C1=CC(=NC1=Cc1[nH]c2c(C(CCCCCC2)CCCC)c1)c1cc(OC)c(OC)cc1)C	PC-id_16116517	462.624	CVUPPZURNIIZRR-UHFFFAOYSA-N	00000011100000110100100000000010000000000000000000000000	31-01-142264
c1(NC(=S)NCCc2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C(=O)OC	TIMTEC362457,PC-id_2209506,CoCoCo_997992,ZINC22_2856200,MCULE-8698758869,EMOLS-id_2242727	462.625	OQATWSXBGOWMOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142265
COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc4c(s3)CCCCCC4)CC2)cc1	EMOLS-id_44040789,MCULE-5490155877,CoCoCo_4564270,ZINC22_9675930,PC-id_24611898	462.625	YLCUFOIPVOWILD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-142266
O=C(c1sc2c(c1)CCCCCC2)NCc1ccccc1CS(=O)(=O)N1CCOCC1	CoCoCo_4357772	462.625	PMVYAHTXTVODDM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142267
s1c2c(CCCCC2)c(c1NC(=S)NCc1cc(OCC)c(OCC)cc1)C(=O)OC	PC-id_20172409	462.625	BSVLLIQXAIEZAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142268
s1c2c(CCCCC2)c(c1NC(=S)NC(c1cc(OC)c(OC)cc1)C)C(=O)OCC	PC-id_19675708	462.625	DQZRGELQIBHFAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142269
s1c2c(CCCCC2)c(c1NC(=S)NC(c1c(OC)ccc(OC)c1)C)C(=O)OCC	PC-id_20172490	462.625	FECUFOUWYXDJDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142270
s1c2c(CCCCC2)c(c1NC(=S)NCCc1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_19649967	462.625	FSCDBCPAMKRCIP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142271
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1cc(OC)c(OC)cc1)C)C(=O)OC	PC-id_19675701	462.625	UWFNKIPSGVPVLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142272
s1c2c(CCCCCC2)c(c1NC(=S)NCc1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_19680191	462.625	BDJWGKLLBXRAMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142273
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(OC)ccc(OC)c1)C)C(=O)OC	PC-id_20172485	462.625	NHKRYQVKQSQWHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142274
s1c(C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)cc2sc(cc12)C=O	PC-id_10504269	462.625	NNIBPSGOPZDZJL-UHFFFAOYSA-N	00000010100000000110000100000010000000000000000000000000	31-01-142275
S(=O)(=O)(c1c2-c(cc(ccc2C)C(C)C)c(c1)C)Nc1ccc(cc1)/N=C/c1cccs1	CHEMBL1837005,PC-id_53483989	462.627	APUNKBCPHFJSFK-JVWAILMASA-N	00000010100100110110000000000010000000000000000000000000	31-01-142276
s1c2CC(CCc2c(c1NC(=O)C(Sc1n2CCCCCc2nn1)C)C(=O)OCC)C	PC-id_42984501	462.629	IKTULVDVKRXUBW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-142277
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC)C(=O)OC	PC-id_20125341	462.629	QNENNSHDPLNLSY-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-142278
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)C)C(=O)OCC	PC-id_17303218	462.629	DCHBMAFUDOSTKH-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-142279
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)C)C(=O)OC	PC-id_20125550	462.629	AKLHUCGNNPLJGJ-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-142280
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)CC=C)C(=O)OCC	PC-id_19717266	462.629	JQYUUAOGVCJJLL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142281
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)C)C(=O)OC	PC-id_20125242	462.629	METZAMJNWMBERP-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-142282
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)CC=C)C(=O)OC	PC-id_19717189	462.629	SHZHCMGGVSUCTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142283
s1c2CCCCCCc2nc1NC(=O)c1c(N2CCCC2)ccc(S(=O)(=O)N(C)C)c1	PC-id_56060767	462.629	YEHXXAUSRBVDHU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-142284
S(c1n(c(nn1)C1CC1)CCC)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_19727109	462.629	NUJNNMHONPDBFZ-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-142286
S(c1n(c(nn1)C1CC1)C(C)C)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_19727250	462.629	JWPKQUYNMWMYCP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-142287
S(c1n(c(nn1)C1CC1)CCC)CC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_19727028	462.629	CBDWJEQZYZWJRP-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-142288
S(c1n(c(nn1)C1CC1)C(C)C)CC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_19727154	462.629	KYXCAKUXIFADHO-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-142289
S(=O)(=O)(N1CCN(CC1)c1ncccc1)CCNC(=O)c1sc2CCCCCCc2c1	PC-id_55692265	462.629	ZHVODLKQAIFECZ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-142290
S(=O)(=O)(N(C)C)c1cc(c(N2CCCCC2)cc1)C(=O)Nc1sc2CCCCCc2n1	PC-id_24603990	462.629	PGALLPGARPZCOU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142291
Cc1nc(cn1COCC[Si](C)(C)C)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)C	PC-id_87289873,SCHEMBL1771132	462.638	AWAZTNVRWKDAGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142292
C/C=CC(=C(/CC)F)COC1CC(C)N(C(C1)CC)CCCn1nc2n(c1=O)CCCCC2	PC-id_143848053	462.644	DRXUUOHPWYGDNA-OANCDQHRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142293
CCCC(NC(=O)C1N(Cc2ccc(cc2)C)C(=O)C(=C(c2c1scc2)/C=CC)C=C)CC	PC-id_143555976	462.647	UAILMUHSKDUISW-XFFZJAGNSA-N	00000000100000110110000000000010000000000000000000000000	31-01-142294
s1c2c(CCCCC2)c(c1NC(=O)COc1ccc(C2SCCCS2)cc1)C(=O)N	PC-id_55383983	462.648	IBDDWGCWGVATSW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142295
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CCC(C)C	PC-id_76858774	462.649	NJQXMRMTCPWTIR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142296
s1c2CCCCCCc2nc1NC(=O)C(SCC1=NC(=O)C2C(=C(SC2=N1)C)C)C	PC-id_76294601	462.652	NJTPGTJQKYRKSE-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-142297
s1c2CCCCCCc2nc1NC(=O)C(SCc1[nH]c(=O)c2c(c(sc2n1)C)C)C	PC-id_56022368	462.652	IGNKJEMNJYYXJW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-142298
CC(c1ccc(c2-c(c1)c(C)cc2C=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C)C)C	PC-id_101951158	462.668	LILUELGJAZSYPU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-142299
CCC(CN(C(=O)C1=CC=c2c(=CC1)n(c(n2)Nc1ccc(cc1)C(C)(C)C)C)CC(C)C)C	PC-id_142936830	462.67	PTVQXXAASOOHGZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-142300
CSc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1	ZINC22_408971107	462.67	MDQRGULKGFGWOI-OGLMXYFKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142301
CCOc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1cnc(s1)C	PC-id_138671413	462.672	VTGYCOWPVFHGCQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142302
CCOc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1cnc(s1)C	SCHEMBL21041796	462.672	VTGYCOWPVFHGCQ-IYARVYRRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142303
s1c2c(CCCCCC2)c(c1NC(=S)NC(C(C)(C)C)Cn1nccc1)C(=O)OCC	PC-id_20170884	462.672	PKQMYPSFVNKIPO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142304
[Si](OC1C(C(C)C)CCC(=CCCC(Cc2oc1c(c2)C(=O)OC)C)C)(C(C)(C)C)(C)C	PC-id_73113262	462.737	WLALJEXFSFPZTC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-142305
[Si](O[C@@H]1[C@H](C(C)C)CCC(=CCC[C@@H](Cc2oc1c(c2)C(=O)OC)C)C)(C(C)(C)C)(C)C	PC-id_11812601	462.737	WLALJEXFSFPZTC-UWDQQESISA-N	00000000100000000110000000000010000000000000000000000000	31-01-142306
C[Si](C)(C)c1cc2-c(ccccc2)c1S(=O)(=O)c1c2-c(ccccc2)cc1[Si](C)(C)C	PC-id_90937546	462.751	OSPXJNIMBIZOJK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142307
Clc1c(=O)n(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc(c1)C(F)(F)F	PC-id_5155537	462.87	NRILBMQLIQNXDV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-142308
Cc1c(cc(cc1)NC(=O)Nc1cc(c(cc1)F)Cl)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478294	462.903	PTOHIRIZCFUYBN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-142309
O=C(Nc1ccc(c(c1)Cl)F)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076954	462.903	PTOHIRIZCFUYBN-RWPZCVJISA-N	00000010100000110110000000000010000000000000000000000000	31-01-142310
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)Cl)O	SCHEMBL9335158,PC-id_19102910	462.925	JOOGKBZDERKJRT-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-142311
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)O)Cl	SCHEMBL9339363,PC-id_19102863	462.925	ZWCQKXOUMPEVHF-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-142312
COc1cc(Cl)c(CN2CCc3nnc(CNC(=O)C4CCC(=O)N4)n3CC2)cc1OC	MCULE-9496172116,EMOLS-id_20490761,PC-id_45191403	462.93	RPARGAIZRAYNHI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-142313
COc1cc(Cl)c(CN2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1OC	CoCoCo_1257896,CoCoCo_1257895,ZINC22_20598997	462.93	RPARGAIZRAYNHI-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-142314
COc1cc(Cl)c(CN2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)cc1OC	ZINC22_20598996,CoCoCo_1257893,CoCoCo_1257894	462.93	RPARGAIZRAYNHI-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-142315
Clc1c(c2oc(CN3CCn4c(nnc4CNC(=O)c4ncccc4)CC3)cc2)cccc1	PC-id_28406686	462.931	JFXZBOAIPHAXQE-UHFFFAOYSA-N	00000000101000111101100000000010000000000000000000000000	31-01-142316
Clc1ccc(cc1)c1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)o1	ZINC22_19227648,CoCoCo_1410665,MCULE-9276184371,EMOLS-id_20594979,CoCoCo_1410664,PC-id_28100410	462.931	SRBYWCCPTSYWMY-UHFFFAOYSA-N	00000000101000111101100000000010000000000000000000000000	31-01-142317
Clc1cccc(c1)c1ccc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)o1	EMOLS-id_232732268,ZINC22_20785747,ChEMBL-DNDi_CHEMBL32899856,PC-id_29154235,MCULE-3894561151	462.931	GDTSGAOTIYIOAI-UHFFFAOYSA-N	00000000101000111101100000000010000000000000000000000000	31-01-142318
c1(NC(=S)Nc2c(Cl)ccc(c2)C(F)(F)F)sc2c(CCCCC2)c1C(=O)OC	ZINC22_2857469,CoCoCo_1000432,MCULE-6038414960,PC-id_2210722,TIMTEC181364,EMOLS-id_2243823	462.937	GWDBEMZYMDLMNG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142319
Clc1cc(c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1)C(F)(F)F	PC-id_19676154	462.937	OITXAOHNIJKRMX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142320
Clc1c(cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1)C(F)(F)F	PC-id_19676671	462.937	DYOZXJFDUTUECI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142321
Clc1c2c(sc1C(=O)OCC(=O)Nc1sc3CCCCCc3c1C#N)cc(F)cc2	PC-id_3909129	462.945	NJRIOAKREQZLFH-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-142322
Clc1c(OCC)c(OC)cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)c1	PC-id_41145618	462.946	VYOLCEZGBVNUBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142323
Clc1cn(nc1)Cc1c(noc1C)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_19442066	462.95	VAENCOFKEGGZCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142324
O=C(C1CCOCC1)N[C@@H](c1nnc2n1CC[N@@H+](CC2)Cc1cc2OCOc2cc1Cl)C	GD-id_ZINC11869331	462.95	SCDUPCQCDRYQTN-CQSZACIVSA-O	00000010100010100101000000001010000000000000000000000000	31-01-142325
CCN1NCCCNc2c(C1=O)n(Cc1ccc(c(c1)Cl)OC)c(n2)NC1CCOCC1	PC-id_142218509	462.973	YYBCQPHIOJRLGA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142326
Cc1c2-c(c(cc2C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)Cl)C)cc(cc1)C(C)C	PC-id_90911335	462.991	DUDQOHXCCQLKIF-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-142327
Clc1ccc(cc1)N1C(=S)NC(=O)/C(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)/C1=O	PC-id_140487775	462.991	DUDQOHXCCQLKIF-LPYMAVHISA-N	00000010100010110111100000000010000000000000000000000000	31-01-142328
O=C(Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCCCCC2)C#Cc1ccccc1	GD-id_ZINC20437563	462.991	HDYVTYKAWPVNBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142329
N=C/C(=C/1NCCCc2c1cc(s2)C(=O)N(C(Cc1cccc(c1)F)CN(C)C)C)/Cl	SCHEMBL19737235	463.011	PSBGQADFCOOBSX-IMQBSLOWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142330
C=C/C=C(/C1=C(N)c2n[nH]c(c2CCC1)C)C=C
/CC(C(=O)N1Cc1ccccc1Cl)(C)C	PC-id_143412904	463.014	FJKDNOUBJDEDSE-QSWBJLOLSA-N	00000010100000110111000000000010000000000000000000000000	31-01-142331
c1(c2CCCCCCCCCCc2sc1NC(=O)c1cccnc1Cl)C(=O)OC(C)C	TIMTEC402055,EMOLS-id_5127828,PC-id_1758416,ZINC22_2103200,MCULE-3042240690,SPECS-id_AK-968/40729176,CoCoCo_5831312	463.033	QIGTYXQLBATSNQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-142332
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OC[C@](NS2(=O)=O)(CO)C=C	PC-id_154682007	463.083	FHAYSMUXTRZRAC-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142333
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OC[C@@](NS2(=O)=O)(CO)C=C	PC-id_155062039	463.083	FHAYSMUXTRZRAC-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142334
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OCC(NS2(=O)=O)(CO)C=C	PC-id_155062065	463.083	FHAYSMUXTRZRAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142335
C[C@H](C(F)(F)F)N1CCC=CC2=C(N(C=C2S1(=O)=O)C)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_146880948,SCHEMBL18352813	463.099	SSVJZRNSCVQODS-LLVKDONJSA-N	00000000100000110111000000000010000000000000000000000000	31-01-142336
CN1C=C2C(=C1C(NC3=CC(=C(C=C3)F)C(F)(F)F)O)CC[C@@](NS2(=O)=O)(CO)C=C	PC-id_155062102	463.119	OFDVFODVZKFAIV-QRWMCTBCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142337
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)SN=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_149229429	463.124	XKACFDRMCAGLAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142338
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CC3=C(CCNC(=O)C2=O)SN=N3	PC-id_160445495	463.124	QKWDMSZVHRVVAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142339
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CCC3=C(CNC(=O)C2=O)N=NS3	PC-id_147544530	463.124	FPOKZHGADPFYEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142340
CC(C)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CCC3=C(CNC(=O)C2=O)SN=N3	PC-id_160272969	463.124	PPOSUUJETUCYLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142341
CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)N(C)OC(C)(C)[PH+]=O	PC-id_154164150	463.163	LSIHDCIPWIKCTH-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-142342
C1CN(CCN2C1=C(C(=N2)C(=O)N3CCC4=NNN=C4C3)CC5=C(C=C(C=C5)C#N)F)C(=O)[O-]	PC-id_149961421	463.165	CTIJWNHPTGHYDD-UHFFFAOYSA-M	00000000100010110101000000010010000000000000000000000000	31-01-142343
C1CN(CCN2C1=C(C(=N2)C(=O)N3CCC4=NNN=C4C3)CC5=CC(=C(C=C5)C#N)F)C(=O)[O-]	PC-id_151639214	463.165	QSEABOGNPBORJZ-UHFFFAOYSA-M	00000000100010110101000000010010000000000000000000000000	31-01-142344
CC(C)C(CC(=O)OCC(C)(C)C)C(=O)CC1CCC2=NC(=CS2)CCCCC(=O)C1=O	PC-id_147036171	463.239	AYNVAEKEHSFRPY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142345
CC(C)C(C(=O)CC1CC2=C(CCCCCNC(=O)C1=O)OC=N2)NC(=O)OCC(C)(C)C	PC-id_149264628	463.268	XPXFTLMDBMGNNO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142346
Nc1nc(sc1C(=O)c1c(Cl)ccc(c1Cl)[N+](=O)[O-])NC1=CCC=c2c(=C1)[nH]cn2	PC-id_141950117	463.297	DKFBYOYSWDFLTP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-142347
Brc1ccc(OCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_3940920	463.345	QWBSPYPWRKTHHX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142348
Brc1cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc1OC	PC-id_27618338	463.345	CPSALVNOPQMMIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142349
Brc1cc(OCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc1	PC-id_24349513	463.345	TVKMTRDHFRGAGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142350
Brc1c(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc(OC)cc1	PC-id_3667530	463.345	HCJJSRANYAAGOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142351
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2c(Cl)cc(F)cc2)c1	GLL_PC-id_21467153,SCHEMBL6993277,PC-id_21467153	463.352	LCNKQCYMPPAATA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142352
Brc1cc(C2(CCOCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55890153	463.368	ZTFLWZXMYZYNAS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142353
Brc1cc(CC(CCCCn2c3C(O)CN=CNc3nc2)C(=O)OCC)ccc1	PC-id_10671771	463.368	BXHDOEBODBAWQU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-142354
CCOC(=O)C(CCCCn1cnc2c1NC=NCC2O)Cc1cccc(Br)c1	CHEMBL289823,PC-id_10695398,BindingDB_PC-id_10695398	463.368	XIRHWMQXMARTED-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-142355
COc1ccc(cc1)Cn1c2c(cn1)C(=O)C(CCN2CCN1CCOCC1)Br	PC-id_89705501,SCHEMBL15130304	463.368	ASOVMVQUSIOCSL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142356
CCOC(=O)c1nn2c(c1)CN(CCC2)C(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700383	463.374	OZXDJPQMBNGHNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142357
c1(c2CCCCCc2sc1NC(=O)c1ccnn1C)C(=O)Nc1ccc(cc1Cl)Cl	PC-id_17371817,ZINC22_20427512,MCULE-7256588687,TIMTEC337193,EMOLS-id_4147600,CoCoCo_6806344	463.38	NNVNVMYTMZAUHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142358
CN1CCc2c(CC1)cc(s2)Nc1c(O)cc(cc1C(=O)Nc1ccc(cn1)Cl)Cl	PC-id_145508594	463.38	MEQDMLMSCVIYFJ-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-142359
CC(c1ccc(nc1)c1ccc(cc1)OC(F)(F)F)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965616,PC-id_71571030	463.41	DVJUMDHVBQHADR-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-142361
FC(F)(F)c1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc(NC(=O)c2ccoc2)c1	PC-id_55781615	463.41	NNAUTTUEGNBZTM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142362
Clc1sc(Cl)cc1C(=O)NC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_23769798	463.422	IPTYMUVFOXQCGY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-142363
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1Cl	PC-id_22198734	463.423	YMWDKYPSWSKTNH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142364
Fc1cccc(c1)C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)OC(F)(F)F	PC-id_42328465,ChEMBL-DNDi_CHEMBL16505007	463.428	APUYUAHVVIBEFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142365
c1(C(=O)Nc2sc3c(CCCCCCCCCC3)c2C#N)c(Br)c(n(C)n1)C	SPECS-id_AK-968/41923500,EMOLS-id_4147642,MCULE-9638990041,TIMTEC482822,PC-id_3559525,CoCoCo_5812068,ZINC22_2735456	463.434	UOEJPJFSAVCPLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142366
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)NOC(=O)N(C)C	PC-id_88124885,SCHEMBL7298976	463.438	DQUBWRCZILTCJB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142367
O=C(c1n(C)cc2c1OC[C@H](NS2(=O)=O)C(c1ccccc1)O)Nc1ccc(c(c1)F)F	PC-id_139462830,SCHEMBL21327968	463.454	FCNSGWRPXWXEBZ-UCFFOFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-142368
O=C(c1n(C)cc2c1OC[C@H](NS2(=O)=O)[C@H](c1ccccc1)O)Nc1ccc(c(c1)F)F	SCHEMBL18352924	463.454	FCNSGWRPXWXEBZ-LPHOPBHVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142369
O=C(c1n(C)cc2c1OC[C@@H](NS2(=O)=O)[C@@H](c1ccccc1)O)Nc1ccc(c(c1)F)F	SCHEMBL18353363	463.454	FCNSGWRPXWXEBZ-VQIMIIECSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142370
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)[C@H](c1ccccc1)O)Nc1ccc(c(c1)F)F	PC-id_140762615	463.454	FCNSGWRPXWXEBZ-CVMIBEPCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142371
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)[C@@H](c1ccccc1)O)Nc1ccc(c(c1)F)F	PC-id_140762759	463.454	FCNSGWRPXWXEBZ-LRTDYKAYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142372
CCCCCCOCC1(COCCCCCC)COc2c(OC1)csc2Br	PC-id_101794113	463.469	JOLKVXLBNWATBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142373
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(n(nc1C)Cc1c(F)cccc1)C	PC-id_19523720	463.471	JPJWGAHDYJFECY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142374
COC(=O)c1c2OCCOCCOCCOCCOc2c(n1Cc1ccccc1)C(=O)OC	PC-id_101697503	463.478	NBMOHSDFKWKVRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142375
CCOC(=O)c1c2-c(c(c1NC(=O)C)C(=O)OCC)ccc(cc2)N=Nc1ccc(cc1)OC	PC-id_101760653	463.482	ZLJMXVSETREZFN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-142376
FC(F)(F)CCC(=O)N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C	PC-id_75036158	463.494	SUQCROIYCBRRRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142377
FC(F)(F)CCC(=O)N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C	CHEBI:112470,PC-id_44505989	463.494	SUQCROIYCBRRRP-YQQAZPJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142378
FC(F)(F)CCC(=O)N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C	CHEBI:112481,PC-id_44504993	463.494	SUQCROIYCBRRRP-INMHGKMJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142379
FC(F)(F)CCC(=O)N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C	CHEBI:112548,PC-id_44505749	463.494	SUQCROIYCBRRRP-HLLBOEOZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142380
FC(F)(F)CCC(=O)N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C	CHEBI:112563,PC-id_44504995	463.494	SUQCROIYCBRRRP-UXLLHSPISA-N	00000000100000000101000000000010000000000000000000000000	31-01-142381
FC(F)(F)CCC(=O)N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C	CHEBI:112603,PC-id_44505986	463.494	SUQCROIYCBRRRP-BFYDXBDKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142382
FC(F)(F)CCC(=O)N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C	CHEBI:112619,PC-id_44504996	463.494	SUQCROIYCBRRRP-ZOBUZTSGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142383
FC(F)(F)CCC(=O)N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C	CHEBI:112621,PC-id_44505182	463.494	SUQCROIYCBRRRP-VYDXJSESSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142384
FC(F)(F)CCC(=O)N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C	CHEBI:112657,PC-id_44505187	463.494	SUQCROIYCBRRRP-ZMSDIMECSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142385
FC(F)(F)CCC(=O)N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C	CHEBI:131265,PC-id_44491449	463.494	CMMUKIKJYLMGMW-INMHGKMJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142386
FC(F)(F)CCC(=O)N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C	CHEBI:95490,PC-id_44491450	463.494	CMMUKIKJYLMGMW-BFYDXBDKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142387
FC(F)(F)CCC(=O)N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@H](CO)C)c2)C	CHEBI:95491,PC-id_44489265	463.494	CMMUKIKJYLMGMW-HLLBOEOZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142388
FC(F)(F)CCC(=O)N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C	CHEBI:95701,PC-id_44492051,SCHEMBL17487110	463.494	CMMUKIKJYLMGMW-ZOBUZTSGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142389
FC(F)(F)CCC(=O)N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C	CHEBI:96906,PC-id_44489805	463.494	CMMUKIKJYLMGMW-YQQAZPJKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142390
FC(F)(F)CCC(=O)N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@H](CO)C)c2)C	CHEBI:97013,PC-id_44491448	463.494	CMMUKIKJYLMGMW-VYDXJSESSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142391
FC(F)(F)CCC(=O)N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C	PC-id_44483908,CHEBI:97007	463.494	CMMUKIKJYLMGMW-UXLLHSPISA-N	00000000100000000101000000000010000000000000000000000000	31-01-142392
FC(F)(F)CCC(=O)N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C	PC-id_44488153,CHEBI:96777	463.494	CMMUKIKJYLMGMW-ZMSDIMECSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142393
s1c2CCCCCc2nc1NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1	PC-id_24611808	463.494	XUDAZJOFQFZLSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142394
CN(C)C(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86267514,SCHEMBL20589423	463.496	ZEEBEFGDORRWBB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142395
FC(F)(F)c1ccc(C(=O)N2CCC(CC2)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55509884	463.496	IWGWOMZCJUJXOK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142396
C/C=CC=C/C(=C)C1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL21337370,PC-id_139471372	463.498	YAGDRYYOMIHWHD-ISTTXYCBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142397
OC(c1n(C)cc2c1OC[C@@](NS2(=O)=O)(C)Cc1ccccc1)Nc1ccc(c(c1)F)F	SCHEMBL21337391,PC-id_139471394	463.498	GMLHGYBERJSTRS-FOIFJWKZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142398
c1(ccccc1)CNC(=O)CCNC(=O)c1cc2n(n1)CCCN(Cc1ccc(cc1)F)C2=O	PC-id_46049834,MCULE-2297926524,EMOLS-id_25388122	463.504	MIZQLTDMAVSHID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142399
ClCc1nc2n(c1)C=CC(C=C2)(C)[I]([IH+])C	PC-id_142279246	463.504	WGRPTQAPUKTATM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-142400
COc1cc(C(=O)NNC(=O)c2sc3c(c2)CCCCCC3)c(c(c1OC)OC)[N+](=O)[O-]	PC-id_24514866,CoCoCo_4274839,MCULE-4525818071,EMOLS-id_43989529	463.504	JTMONBMJRIFPDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142401
Fc1ccc(cc1)c1ccc(cc1)C(=O)N1CCc2nnc(CNC(=O)C3CCOC3)n2CC1	EMOLS-id_20459513,PC-id_45184180,MCULE-2510488864	463.504	WVGFQYVBACEFHK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-142402
Fc1ccc(cc1)c1cccc(c1)C(=O)N1CCc2nnc(CNC(=O)C3CCOC3)n2CC1	EMOLS-id_20499841,PC-id_45193493,MCULE-3769688651	463.504	VVGYSERWCNQDCN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-142403
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCc2ccccc2)C)cc1	PC-id_46049800	463.504	BZTLUXNJRGJQQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142404
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NCc2ccccc2)C)cc1	PC-id_46049816	463.504	UJJRTOBXXVDCMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142405
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)NCCc2ccccc2)cc1	PC-id_42855044	463.504	LWJUDPDHMAXDKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142406
Fc1ccc(CNC(=O)CNC(=O)c2nn3CCCN(Cc4cc(ccc4)C)C(=O)c3c2)cc1	PC-id_42854990	463.504	CISGNCPMJSXBMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142407
Fc1ccc(CNC(=O)CNC(=O)c2nn3CCCN(Cc4c(cccc4)C)C(=O)c3c2)cc1	PC-id_42855021	463.504	GBXOXAFZOBRGPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142408
Fc1ccc(CNC(=O)C(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)C)cc1	PC-id_46049560	463.504	KOWXUQVDNXKESH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142409
Fc1ccc(CNC(=O)CN(C(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)C)cc1	PC-id_46159893	463.504	IAIOEQJJJIGPFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142410
Fc1ccc(NC(=O)C(NC(=O)c2nn3CCCN(Cc4cc(ccc4)C)C(=O)c3c2)C)cc1	PC-id_46049999	463.504	WADCYRDOHJIXCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142411
Fc1ccc(NC(=O)C(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccc(cc2)C)C)cc1	PC-id_46049961	463.504	WEANUHBEHHQEFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142412
Brc1c2C(=O)N(CCCCN3CCN(CC3)c3ncccn3)CCCc2sc1C	PC-id_53698347	478.449	BSCWYHPOBXTORQ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-146916
Fc1cc(NC(=O)C(NC(=O)c2nn3CCCN(Cc4cc(ccc4)C)C(=O)c3c2)C)ccc1	PC-id_42855100	463.504	ZUBORCIZASIUKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142413
Fc1cc(NC(=O)C(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccc(cc2)C)C)ccc1	PC-id_42855074	463.504	CEDGNMYHQKRJHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142414
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C)NCc1ccc(cc1)F	PC-id_93332356	463.504	KOWXUQVDNXKESH-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142415
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C)NCc1ccc(cc1)F	PC-id_93332357	463.504	KOWXUQVDNXKESH-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142416
O=C(NCc1nnc2n1CCN(C(=O)c1ccc(c3ccc(F)cc3)cc1)CC2)[C@@H]1CCOC1	ZINC22_11995748,PC-id_42340559,CoCoCo_1213491	463.504	WVGFQYVBACEFHK-HXUWFJFHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-142417
O=C(NCc1nnc2n1CCN(C(=O)c1ccc(c3ccc(F)cc3)cc1)CC2)[C@H]1CCOC1	ZINC22_11995749,CoCoCo_1213492,PC-id_42340560	463.504	WVGFQYVBACEFHK-FQEVSTJZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-142418
O=C(NCc1nnc2n1CCN(C(=O)c1cccc(c3ccc(F)cc3)c1)CC2)[C@@H]1CCOC1	CoCoCo_1271068,ZINC22_12207553,PC-id_42464308	463.504	VVGYSERWCNQDCN-HXUWFJFHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-142419
O=C(NCc1nnc2n1CCN(C(=O)c1cccc(c3ccc(F)cc3)c1)CC2)[C@H]1CCOC1	PC-id_42464317,ZINC22_12207563,CoCoCo_1271069	463.504	VVGYSERWCNQDCN-FQEVSTJZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-142420
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(NC(=O)c2occc2)cc1)C#N	PC-id_27764095	463.506	JVZYAOGWKLLKLK-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-142421
N#Cc1c(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)sc2c1CCCCC2	EMOLS-id_48936387,CoCoCo_3590102,CoCoCo_3590101,ZINC22_13038772,MCULE-3301900013,PC-id_25685262	463.519	BJAUUSYJVKKPJV-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-142422
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N)ccc1OC)C#N	PC-id_55312131	463.527	RTDGKCBUFZEYFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142423
s1c2c(CCCCC2)c(c1NC(=O)CSc1c([N+](=O)[O-])cc(cc1)C(=O)N)C(=O)OC	PC-id_52598432	463.527	WRESZIPXHVOEEY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142424
COc1cc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)cc2c1OCO2	MCULE-8109302265,ZINC22_14995643,CoCoCo_1396103,EMOLS-id_20585055,CoCoCo_1396102,PC-id_26351240	463.529	OZEFPSLTYVWIDE-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-142425
COC(=O)c1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(OC)cc4)n3CC2)cc1	ZINC22_20449841,CoCoCo_1227529,EMOLS-id_20469341,CoCoCo_1227530,GD-id_ZINC20449841,PC-id_28953856,MCULE-6065647024,ChEMBL-DNDi_CHEMBL22166428	463.529	WUELMWIJXOAJMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142426
COC(=O)c1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1	CoCoCo_1349919,ZINC22_20997322,MCULE-6705204279,PC-id_29257128,CoCoCo_1349920,EMOLS-id_20554307,ChEMBL-DNDi_CHEMBL39347311	463.529	JYWYQNGNHDXJJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142427
O=C1N(CCCn2nc(cc12)C(=O)NC(C(C)C)C(=O)NCc1occc1)Cc1ccccc1	PC-id_42855060	463.529	CGEAXPHTKKASSZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142428
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1ccccc1)Cc1ccccc1C#N	PC-id_134805224	463.53	ADCDURQJUAJWQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142429
O=C1C(CCn2c(N1C)cc(n2)CC1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1	PC-id_140764763	463.532	VHWYBOMYYCZBOF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142430
O=C1[C@H](CCn2c(N1C)cc(n2)CC1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367449	463.532	VHWYBOMYYCZBOF-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142431
O=C1[C@@H](CCn2c(N1C)cc(n2)CC1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367450	463.532	VHWYBOMYYCZBOF-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142432
COc1cc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1OC(F)F	EMOLS-id_48935213,PC-id_2552732,CoCoCo_3584705,ZINC22_3433153,MCULE-4788038665,CoCoCo_3584706	463.541	SKSHTWWKXDTRQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142433
s1c2CCCCCc2c(c1NC(=O)C(N(Cc1cc(OC(F)F)c(OC)cc1)C)C)C#N	PC-id_55628137	463.541	PZWHNUMFYIRQEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142434
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C	PC-id_55937247	463.541	FUNULYWNLQXAQW-FQEVSTJZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142435
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C	PC-id_46523725	463.541	FUNULYWNLQXAQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142436
Fc1c(CC(=O)N2CCn3c(nnc3CC2)[C@H](NC(=O)C[NH+](C)C)CC(C)C)cc(F)cc1	PC-id_42453938	463.544	HXTFVBSKJVUORH-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142437
Fc1c(CC(=O)N2CCn3c(nnc3CC2)[C@@H](NC(=O)C[NH+](C)C)CC(C)C)cc(F)cc1	PC-id_42453946	463.544	HXTFVBSKJVUORH-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-142438
Fc1c(CC(=O)N2CCn3c(nnc3CC2)C(NC(=O)C[NH+](C)C)CC(C)C)cc(F)cc1	PC-id_74804543	463.544	HXTFVBSKJVUORH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142439
C=CCOc1ccccc1CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1	CoCoCo_1169080,ZINC22_19835519,CoCoCo_1169081,MCULE-4371999427,EMOLS-id_20427481,PC-id_28388621	463.547	WSMGVHBOOZFZOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142440
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)CCNC(=O)Cc1ccc(cc1)F	CoCoCo_1384484,CoCoCo_1384486	463.547	QAUOQYVKUMSGQD-IHWYPQMZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142441
COc1ccccc1/C=CCN1CCc2n(CC1)c(nn2)CCNC(=O)Cc1ccc(cc1)F	CoCoCo_1457013,CoCoCo_1457015	463.547	ZGNYUAFCQIATCT-XQRVVYSFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142442
COc1ccccc1/C=C/CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1	CoCoCo_1457016,ZINC22_14966931,PC-id_26326120,CoCoCo_1457014,EMOLS-id_26011829	463.547	ZGNYUAFCQIATCT-GQCTYLIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-142443
COc1ccc(/C=C/CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1	PC-id_26347247,ZINC22_14992232,EMOLS-id_26006975,CoCoCo_1384487,CoCoCo_1384485	463.547	QAUOQYVKUMSGQD-NSCUHMNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142444
Fc1ccc(COc2cc(C(=O)N3CCN(CC3)Cc3n4CCCCCc4nn3)ccc2)cc1	PC-id_46449518	463.547	OITTYQWVLLKTSS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142445
n12CCN(CCc1nnc2CCNC(=O)Cc1ccc(cc1)F)CC=Cc1ccccc1OC	PC-id_74496699,MCULE-3248414744	463.547	ZGNYUAFCQIATCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142446
n12CCN(CCc1nnc2CCNC(=O)Cc1ccc(cc1)F)CC=Cc1ccc(cc1)OC	PC-id_74499056,MCULE-8756539315	463.547	QAUOQYVKUMSGQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142447
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1[N+](=O)[O-]	ZINC22_408971439	463.549	OLEKYUIVXDDVFK-WGOQTCKBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142448
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(COc2c(cccc2)C(=O)N)ccc1	PC-id_56115858	463.549	ZNZSYWQMNGNLOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142449
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCc1oc(c2ccc(cc2)C)cn1)C#N	PC-id_16579906	463.549	HWRIEJWLRYQESH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142450
C=C/C=CC=C(S(=O)(=O)NC(C(=O)NC1Cc2ccnn2CCNC(=O)C1=O)C(C)C)/C	PC-id_138731186,SCHEMBL21110346	463.55	NMBWTHHEBXLBSF-WLYYOSHGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142451
C=C/C=CC=C(S(=O)(=O)NC(C(=O)NC1Cc2cncn2CCNC(=O)C1=O)C(C)C)/C	PC-id_138731808,SCHEMBL21111030	463.55	ZLAHNNKTBQCRAH-WLYYOSHGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142452
COc1ccc2nc(N(Cc3ccccc3)C(=O)Cn3nc4n(c3=O)CCCCC4)sc2c1	ZINC22_22989850,EMOLS-id_27394810,CoCoCo_4692385,PC-id_30765990,MCULE-2125726508	463.552	QCGXXNNBPNASCK-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-142453
O1c2cc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)c4cccnc4)CC(C)C)CC3)ccc2OC1	PC-id_26401664	463.552	UMYDJGDALXVCBL-HXUWFJFHSA-O	00000010100000101101000000001010000000000000000000000000	31-01-142454
O1c2cc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)c4cccnc4)CC(C)C)CC3)ccc2OC1	PC-id_26401667	463.552	UMYDJGDALXVCBL-FQEVSTJZSA-O	00000010100000101101000000001010000000000000000000000000	31-01-142455
O1c2cc(C[NH+]3CCn4c(nnc4C(NC(=O)c4cccnc4)CC(C)C)CC3)ccc2OC1	PC-id_74503054	463.552	UMYDJGDALXVCBL-UHFFFAOYSA-O	00000010100000101101000000001010000000000000000000000000	31-01-142456
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(NC(=O)C)cc1)c1ccc(OC)cc1	PC-id_42539992	463.552	BJXXYPLTBKCSHM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142457
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(n(nc1)c1ncccc1)C(C)C)C#N	PC-id_46459009	463.552	QBTMTINUABUXEU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-142458
S(=O)(=O)(N1CCN(CC1)c1ncccc1)CCNC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55692343	463.554	FUJMGJHPQKKMPL-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-142459
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NC1CCc2nnnn2CC1	PC-id_90135638,BindingDB-id_483898,BindingDB_PC-id_90135638,SCHEMBL15690481	463.559	CBSZNCSCGWGVKP-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-142460
Cc1cccc(c1)NC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)[O-])C3)sc2c1CCCCC2	GD-id_ZINC20408294,PC-id_28922681	463.569	QAXFTQRBJCFMKX-GQSCTRQFSA-M	00000011100000110100000000000110000000000000000000000000	31-01-142461
Cc1ccc(cc1)S(=O)(=O)S(=O)(=O)NC=C(c1ccc2-c1ccccc2)c1ccccc1	PC-id_142734101	463.569	DICXLQICODRORZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-142462
s1c(NC(=O)C2C3CC(C2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)Nc1cc(ccc1)C	PC-id_74574980	463.569	QAXFTQRBJCFMKX-UHFFFAOYSA-M	00000011100000110100000000000110000000000000000000000000	31-01-142463
s1c(NC(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)Nc1cc(ccc1)C	PC-id_28922679	463.569	QAXFTQRBJCFMKX-HDIOYNLWSA-M	00000011100000110100000000000110000000000000000000000000	31-01-142464
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)Nc1cc(ccc1)C	PC-id_51705754	463.569	QAXFTQRBJCFMKX-XTCWOQMQSA-M	00000011100000110100000000000110000000000000000000000000	31-01-142465
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])C=C3)c(c2c1CCCCC2)C(=O)Nc1cc(ccc1)C	PC-id_51705756	463.569	QAXFTQRBJCFMKX-ALGWMNEGSA-M	00000011100000110100000000000110000000000000000000000000	31-01-142466
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)sc2c(CCCCC2)c1C(=O)N	CHEMBL1539362,EMOLS-id_5470473,ZINC22_8683935,PC-id_3400486,ChEMBL-DNDi_CHEMBL1539362,CoCoCo_5014631,MCULE-6797586141	463.57	CFWPKCFKGAGLIP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142467
Cc1ccc(cc1)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccn2C	PC-id_139709959	463.57	GSHWTJGIVLZFSU-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-142468
Cc1ccccc1CN1CCc2c(/C(=C/c3ccccc3)/C1=O)n(cn2)COCc1ccccc1	PC-id_145964034	463.57	TUVYJDOCXATFQH-IMRQLAEWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142469
Cc1ccc(cc1)CN1CCc2c(/C(=C/c3ccccc3)/C1=O)n(cn2)COCc1ccccc1	PC-id_145967974	463.57	SSERDYYBPYIBLW-IMRQLAEWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142470
Cc1cccc(c1)CN1CCc2c(/C(=C/c3ccccc3)/C1=O)n(cn2)COCc1ccccc1	PC-id_145970272	463.57	VAGWUIJGOKVTRM-IMRQLAEWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142471
C/C=C(C=C/C(=C)c1nn(c(c1)c1ccccc1)CC(=O)N1CCc2c(CC1)nc(s2)N)/F	PC-id_145587770	463.57	PVXCLAYTYXBGFB-DJGYFXAPSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142472
COc1cc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc(OC)c1OC	ZINC22_10040396,PC-id_5037470	463.57	MMLLYESOQLKPTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142473
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4cc5ccccc5s4)CCn23)cc1	EMOLS-id_20493123,CoCoCo_1261397,MCULE-1522725497,PC-id_29086044,ZINC22_20599430,CoCoCo_1261398	463.57	FAIIOKLJQXUHBN-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-142474
Fc1ccc(C(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2ccc(N3CCCC3)cc2)cc1	PC-id_42277722	463.57	RDIWVYUYSWNHRH-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-142475
NC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)sc2c1CCCCC2	MCULE-5089414766,ZINC22_9606111,CoCoCo_3250492,EMOLS-id_43822203,PC-id_16350595	463.57	FFJJMCIFQOUEQO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142476
O=C(c1cc2c(s1)CCCCCC2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	MCULE-2562875800,ZINC22_26542961,EMOLS-id_43838444,PC-id_33818079,CoCoCo_3308753	463.57	JOCONLGHCRDCAZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142477
O=C(NC(C(=O)NC1Cc2cn[nH]c2CCCCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21109579,PC-id_138730424	463.57	WJORSQSRDRTTSJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142478
O=C(NC(C(=O)NC1CCc2cn[nH]c2CCCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138730362,SCHEMBL21109516	463.57	GNPHVZXXIKNCID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142479
O=C(NC(C(=O)NC1CCCc2cn[nH]c2CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138730669,SCHEMBL21109826	463.57	YZUOKRGFZSFZRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142480
O=C(NC(C(=O)NC1CCCCc2[nH]ncc2CCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138731162,SCHEMBL21110322	463.57	DSICXKKYZMZDJI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142481
s1c2c(CCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(OCC)cc1)C(=O)OCC	PC-id_20411978	463.57	BODFAIVXNXPFJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142482
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(OC)cc1)C(=O)OCC	PC-id_20411892	463.57	WEGJXPLMZDIVRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142483
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(OCC)cc1)C(=O)OC	PC-id_20411973	463.57	ZXXMITWDQAYGGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142484
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC)ccc([N+](=O)[O-])c1)C(=O)OCC	PC-id_20412413	463.57	RKOOSZBUFNVPIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142485
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC)cc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_20412538	463.57	JZSKQOWMAMIGGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142486
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)c1cc([N+](=O)[O-])ccc1	PC-id_43001878	463.57	MPYDPHCXKSNYTL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142487
S(=O)(=O)(NC1CC1)c1c(OC)ccc(c1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_32759254	463.57	YQABWWIGFKDOAQ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-142488
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(CCn12)C(=O)c1occc1C	PC-id_45187203,ChEMBL-DNDi_CHEMBL22689596,MCULE-6564197063,EMOLS-id_20472365	463.572	YAHFGLOKNWZECZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142489
c1(C(C(C)C)NC(=O)c2ccc(cc2)OC)nnc2CCN(CC(=Cc3ccco3)C)CCn12	PC-id_75099661,MCULE-7352879693	463.572	JLMGAJOSUUMFDV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142490
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3cccc(c3)Oc3ccccc3)CCn12	PC-id_45179348,ChEMBL-DNDi_CHEMBL17184461,MCULE-3897010348,EMOLS-id_20438523	463.572	BZGSPAMFSKZSDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142491
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(cc3)OC(C)C)CCn12	MCULE-2174729684,EMOLS-id_20544543,PC-id_45203646	463.572	WTXYOCIVTKWOJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142492
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(C(=O)c2occc2C)CC3)c1	CoCoCo_1231855,ZINC22_11814622,PC-id_42191177	463.572	YAHFGLOKNWZECZ-NRFANRHFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142493
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(C(=O)c2occc2C)CC3)c1	PC-id_42191175,ZINC22_11814620,CoCoCo_1231856	463.572	YAHFGLOKNWZECZ-OAQYLSRUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142494
Cc1ccc(C(=O)NCCc2nnc3CCN(Cc4ccc(OCCO)cc4)CCn23)c(C)c1	CoCoCo_1156744,EMOLS-id_20418512,PC-id_42437141,CoCoCo_1156745,MCULE-5567220882,ZINC22_12160715	463.572	DMNRPHLLJOUHKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142495
Cc1c([nH]c2c1C(=O)N(CCC2)CCN1CCCC1)C=C(C=O)c1c(ccc(c1)NC(=O)C)N	PC-id_89099133	463.572	UEWWOFIRSRKMSA-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-142496
CC(C)Oc1ccc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)cc1	PC-id_45195620,MCULE-6991470751,EMOLS-id_20509325	463.572	SQOMMJNHFDMPQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142497
CC(C)Oc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	ZINC22_11910487,PC-id_29150178,CoCoCo_1284600,CoCoCo_1284601	463.572	SQOMMJNHFDMPQG-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142498
CC(C)Oc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	ZINC22_11910488,CoCoCo_1284602,PC-id_29150179,CoCoCo_1284603	463.572	SQOMMJNHFDMPQG-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142499
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cccc(OCCO)c1)CC2	ZINC22_14992923,PC-id_26348082,CoCoCo_1386997,CoCoCo_1386996	463.572	MURHPCRLKJEZKO-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142500
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cccc(OCCO)c1)CC2	ZINC22_14992925,PC-id_26348085,CoCoCo_1386998,CoCoCo_1386999	463.572	MURHPCRLKJEZKO-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142501
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CCCCCC)C)C(=O)OC	PC-id_42989020	463.59	CRBRENGFPCJZLI-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-142554
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(OCCO)cc1)CC2	CoCoCo_1177444,ZINC22_12040062,CoCoCo_1177443,PC-id_42371137	463.572	MPWPDOFTKAHTSE-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142502
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(OCCO)cc1)CC2	PC-id_42371141,CoCoCo_1177445,ZINC22_12040066,CoCoCo_1177446	463.572	MPWPDOFTKAHTSE-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142503
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(cc2)NC(=O)C)CC	SCHEMBL3144160,PC-id_25116062	463.572	ZVYGJSIDCSPYCJ-HKWRFOASSA-N	00000010100000100100000000001010000000000000000000000000	31-01-142504
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(cc2)NC(=O)C)CC	SCHEMBL3144164,PC-id_68527678	463.572	ZVYGJSIDCSPYCJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-142505
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3cccc(OCCO)c3)CCn12	PC-id_45211660,ChEMBL-DNDi_CHEMBL45353994,MCULE-9901853217,EMOLS-id_20579063	463.572	MURHPCRLKJEZKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142506
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccc(OCCO)cc3)CCn12	PC-id_45178174,EMOLS-id_20433523,MCULE-1517496483	463.572	MPWPDOFTKAHTSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142507
CCOc1cc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)ccc1OC	CoCoCo_1408898,CoCoCo_1408897,MCULE-7075639503,ZINC22_15001933,EMOLS-id_20593825,PC-id_26357762	463.572	CGBBWHBUIXQZBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142508
CCOc1cc(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)ccc1O	PC-id_45199476,MCULE-7160109366,EMOLS-id_20526337	463.572	ADXAWMYFVRVUAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142509
CCOc1cc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)ccc1O	CoCoCo_1309453,CoCoCo_1309454,ZINC22_20905908,PC-id_29208715	463.572	ADXAWMYFVRVUAV-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-142510
CCOc1cc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)ccc1O	PC-id_29208713,CoCoCo_1309452,CoCoCo_1309451,ZINC22_20905906	463.572	ADXAWMYFVRVUAV-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142511
CN(C)Cc1ccc(cc1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CCOC	PC-id_134810807	463.572	AWWJFYKNHUHVRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142512
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(OC)c(C)c3C)CCn12	PC-id_28374708,EMOLS-id_20648641,CoCoCo_1491680,ZINC22_19811748,MCULE-5072260312,CoCoCo_1491681	463.572	AZYDLEOKFQVYPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142513
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(OC(C)C)cc3)CCn12	MCULE-9204452226,ZINC22_20775690,CoCoCo_1284501,CoCoCo_1284500,PC-id_29150164,EMOLS-id_20509253	463.572	ATBOOFWHTBBFDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142514
COc1ccc(cc1)C(=O)NC(C(C)C)c1nnc2CCN(C/C(=C/c3ccco3)/C)CCn12	EMOLS-id_44852033,ChEMBL-DNDi_CHEMBL26129483,PC-id_45191468	463.572	JLMGAJOSUUMFDV-KNTRCKAVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142515
COc1ccc(cc1)C(=O)N[C@@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccco1)/C)C(C)C	CoCoCo_1258315,CoCoCo_1258317	463.572	JLMGAJOSUUMFDV-PVFXMYQXSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142516
COc1ccc(cc1)C(=O)N[C@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccco1)/C)C(C)C	CoCoCo_1258321,CoCoCo_1258319	463.572	JLMGAJOSUUMFDV-OFBYCLMTSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142517
COc1cc(C)c(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1C	EMOLS-id_20410198,MCULE-4884067483,ZINC22_19740368,CoCoCo_1145295,PC-id_28309670,CoCoCo_1145294	463.572	RFORGWZYTKTTPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142518
COc1cc(C)c(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)cc1C	MCULE-2252339648,EMOLS-id_20399190,PC-id_45170227	463.572	BUZUWENNGPPWED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142519
COc1cc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C	CoCoCo_1130708,ZINC22_23129348,CoCoCo_1130707,PC-id_30852920	463.572	BUZUWENNGPPWED-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142520
COc1cc(C)c(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C	CoCoCo_1130710,CoCoCo_1130709,ZINC22_23129349,PC-id_30852921	463.572	BUZUWENNGPPWED-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142521
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(OC(C)C)cc2)CC3)c1	CoCoCo_1335571,ZINC22_12190320,CoCoCo_1335572	463.572	WTXYOCIVTKWOJF-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142522
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(OC(C)C)cc2)CC3)c1	ZINC22_12190319,CoCoCo_1335573,CoCoCo_1335574	463.572	WTXYOCIVTKWOJF-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-142523
COc1ccc(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)c(OC)c1	PC-id_45194719,MCULE-4804401345,EMOLS-id_20505207	463.572	KTVURDZTIZETQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142524
COc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c(C)c1C	CoCoCo_1307822,EMOLS-id_20525207,PC-id_29208257,MCULE-3765339101,ZINC22_20905514,CoCoCo_1307823	463.572	IXOAKYFIVLZVBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142525
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)c(OC)c1	PC-id_42272776,CoCoCo_1278822,ZINC22_11908982,CoCoCo_1278823	463.572	KTVURDZTIZETQJ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142526
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)c(OC)c1	ZINC22_11908983,CoCoCo_1278824,CoCoCo_1278825,PC-id_42272778	463.572	KTVURDZTIZETQJ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-142527
COc1cccc(OC)c1CN1CCc2nnc(C(C)NC(=O)CCc3ccccc3)n2CC1	MCULE-5635928998,PC-id_45219715,EMOLS-id_20613267	463.572	KIFPOUPORRPHIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142528
COc1cccc(OC)c1CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1	CoCoCo_1438016,ZINC22_14957219,PC-id_26320011,CoCoCo_1438015	463.572	KIFPOUPORRPHIJ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142529
COc1cccc(OC)c1CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1	ZINC22_14957223,CoCoCo_1438018,PC-id_26320014,CoCoCo_1438017	463.572	KIFPOUPORRPHIJ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-142530
COc1ccc(C(=O)N[C@H](c2nnc3n2CCN(C/C(=C/c2ccco2)/C)CC3)C(C)C)cc1	CoCoCo_1258320,ZINC22_64053750,CoCoCo_1258322	463.572	JLMGAJOSUUMFDV-LULQDDRCSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142531
COc1ccc(C(=O)N[C@@H](c2nnc3n2CCN(C/C(=C/c2ccco2)/C)CC3)C(C)C)cc1	ZINC22_64053752,CoCoCo_1258318,CoCoCo_1258316	463.572	JLMGAJOSUUMFDV-KRNATXNASA-N	00000000101000110101000000000010000000000000000000000000	31-01-142532
COc1cc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)cc(OC)c1	CoCoCo_1209250,EMOLS-id_20456527,ZINC22_14884566,PC-id_26279900,CoCoCo_1209249,MCULE-5958747830	463.572	QKZLGVVAHFIZRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142533
COc1ccc(OC)c(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)c1	MCULE-9250164437,ZINC22_11963399,CoCoCo_1129462,CoCoCo_1129461,ChEMBL-DNDi_CHEMBL11389944,EMOLS-id_20398264,PC-id_42317297	463.572	TWGULPVVRTVBIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142534
COc1ccc(OC)c(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)c1	PC-id_45209573,MCULE-8418324815,ChEMBL-DNDi_CHEMBL43131759,EMOLS-id_20570231	463.572	XNJGVCFZGKIRBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142535
COc1ccc(OC)c(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)c1	CoCoCo_1373577,ZINC22_14989217,CoCoCo_1373576,PC-id_26343817	463.572	XNJGVCFZGKIRBW-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142536
COc1ccc(OC)c(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)c1	PC-id_26343821,CoCoCo_1373579,CoCoCo_1373578,ZINC22_14989220	463.572	XNJGVCFZGKIRBW-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-142537
COCCC(=O)NC(C)c1nnc2CCN(Cc3cccc(OCc4ccccc4)c3)CCn12	EMOLS-id_20474001,MCULE-5530461019,PC-id_45187581	463.572	LONDDSIXRNGLOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142538
COCCC(=O)NC(C)c1nnc2CCN(Cc3ccc(OCc4ccccc4)cc3)CCn12	PC-id_45182722,EMOLS-id_20453225,MCULE-2082689803	463.572	HOBFILLZPVBKQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142539
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(OCc3ccccc3)c1)CC2	PC-id_42192292,CoCoCo_1234206,ZINC22_11815550,CoCoCo_1234207	463.572	LONDDSIXRNGLOX-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142540
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(OCc3ccccc3)c1)CC2	ZINC22_11815548,PC-id_42192289,CoCoCo_1234208,CoCoCo_1234209	463.572	LONDDSIXRNGLOX-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142541
COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2	PC-id_26278593,CoCoCo_1204750,ZINC22_14882710,CoCoCo_1204751	463.572	HOBFILLZPVBKQN-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142542
COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2	PC-id_26278595,CoCoCo_1204749,ZINC22_14882711,CoCoCo_1204748	463.572	HOBFILLZPVBKQN-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142543
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2)C(C)C	ZINC22_12198552,CoCoCo_1184484,PC-id_42458123,CoCoCo_1184485	463.572	BZGSPAMFSKZSDP-VWLOTQADSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142544
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2)C(C)C	ZINC22_12198555,PC-id_42458127,CoCoCo_1184483,CoCoCo_1184482	463.572	BZGSPAMFSKZSDP-RUZDIDTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-142545
N#Cc1c(NC(=O)C[NH+]2CCN(CC2)C(=O)c2cc3c(o2)cccc3)sc2c1CCCCC2	GD-id_ZINC26728060,PC-id_34011547	463.572	NAGMWAWTGXZIHW-UHFFFAOYSA-O	00000000100010100101000001000010000000000000000000000000	31-01-142546
O=C/C(=Cc1[nH]c2c(c1C)C(=O)N(CCC2)CCN1CCCC1)/c1cc(ccc1N)NC(=O)C	SCHEMBL13480209	463.572	UEWWOFIRSRKMSA-XMHGGMMESA-N	00000010100000110100000000000010000000000000000000000000	31-01-142547
O=C(NC1CCCCC1)C1N(CCC1)C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049869	463.572	OAJLJZVQAVHXJM-UHFFFAOYSA-N	00000010100010110101000000000010000000000000000000000000	31-01-142548
O=C1NC(=O)N(C(N)C1N(CCCCC)C(=O)Cn1nc2n(CCCCC2)c1=O)CCCC	PC-id_76238782	463.574	YWMREWOKAPYUDT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142549
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3ccccc3F)CCn12	PC-id_45172515,EMOLS-id_20409130,MCULE-8317980041	463.59	GRXKYVDGBIMROB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142550
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccccc2F)CC3)c1	CoCoCo_1143879,PC-id_42405282,ZINC22_12097111,CoCoCo_1143878	463.59	GRXKYVDGBIMROB-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-142551
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccccc2F)CC3)c1	PC-id_42405284,CoCoCo_1143880,CoCoCo_1143881,ZINC22_12097112	463.59	GRXKYVDGBIMROB-DEOSSOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142552
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)C1OCCC1)C(=O)OCC	PC-id_22197289	463.59	BGRYFZFCPKPXBZ-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-142553
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)C1OCCC1)C(=O)OC	PC-id_22197241	463.59	UNWYKJXSGZSEQD-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-142555
c1(c2CCCCCc2sc1NC(=O)CNCc1ccccc1)C(=O)Nc1ccccc1OC	ZINC22_15946949,EMOLS-id_2785866,CoCoCo_6724291,PC-id_3482380,TIMTEC144197,MCULE-4133342783	463.592	FGNOBGZEUFTWGN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142556
c1(NC(=O)CCC(=O)Nc2cccc(c2)OCc2ccccc2C)sc2c(CCCCC2)n1	EMOLS-id_335105926,MCULE-2590793298	463.592	MVAPBWONJQCAMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142557
c1(NC(=O)CCC(=O)Nc2cccc(c2)OCc2ccc(cc2)C)sc2c(CCCCC2)n1	MCULE-7424065521,EMOLS-id_335141232	463.592	NHQAPZYBMZZMGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142558
c1(NC(=O)CCC(=O)Nc2cccc(c2)OCc2cccc(C)c2)sc2c(CCCCC2)n1	MCULE-7510810158,EMOLS-id_335088011	463.592	IQVQTOANLVESOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142559
s1c2CCCCCCCCCCc2c(c1NC(=O)C(N1C(=O)c2c(C1=O)cccc2)C)C#N	PC-id_23852073	463.592	QRJDSPKRKIEOFH-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-142560
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1sccc1)C(=O)OCC	PC-id_4671855	463.593	RVTCKRWTOJZHLH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-142561
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3cc4c(cccc4)s3)CCn12	EMOLS-id_20427561,MCULE-7962143007,PC-id_45176807	463.595	YXZAPIPJPMDJPW-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-142562
CC1=Cc2cc([nH]c2C=CC1)S(=O)N1CCN(C(=O)C1)Cc1ccc(cc1)C1=NCCN1C	PC-id_142132376	463.595	HHTZMGYKKRMNGL-UHFFFAOYSA-N	00000011100010110111100000000010000000000000000000000000	31-01-142563
CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	CoCoCo_1169188,ZINC22_11788135,PC-id_42168612,CoCoCo_1169189	463.595	YXZAPIPJPMDJPW-HXUWFJFHSA-N	00000000101000100101000001000010000000000000000000000000	31-01-142564
CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	ZINC22_11788136,CoCoCo_1169191,PC-id_42168614,CoCoCo_1169190	463.595	YXZAPIPJPMDJPW-FQEVSTJZSA-N	00000000101000100101000001000010000000000000000000000000	31-01-142565
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ncccc3)C(C)C)CC2)c(c1)C)C)C	PC-id_42247746	463.595	UCPRDHYZKQTCFI-DEOSSOPVSA-O	00000000100000111101000000000010000000000000000000000000	31-01-142566
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3ncccc3)C(C)C)CC2)c(c1)C)C)C	PC-id_42247747	463.595	UCPRDHYZKQTCFI-XMMPIXPASA-O	00000000100000111101000000000010000000000000000000000000	31-01-142567
O(c1c(cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3ncccc3)C(C)C)CC2)c(c1)C)C)C	PC-id_74785992	463.595	UCPRDHYZKQTCFI-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-142568
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C)CCOC	PC-id_74786801	463.595	RMBUDQDEIVAASP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142569
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C)CCOC	PC-id_42272808	463.595	RMBUDQDEIVAASP-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142570
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C)CCOC	PC-id_42272810	463.595	RMBUDQDEIVAASP-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142571
S(c1n2CCCCCc2nn1)CC(=O)N(CC(C)C)c1c(n(CC(C)C)c(=O)[nH]c1=O)N	PC-id_29511608	463.597	FYOKZMTTZFANOQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-142572
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCCCC3)c(C)n1[C@@H]1CCS(=O)(=O)C1	PC-id_29462252,CoCoCo_2876702,ZINC22_21374163	463.61	VQQLMFSDRLIUCG-GOSISDBHSA-N	00000010110000000100100000000010000000000000000000000000	31-01-142573
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCCCC3)c(C)n1[C@H]1CCS(=O)(=O)C1	PC-id_29462255,ZINC22_21374167,CoCoCo_2876701	463.61	VQQLMFSDRLIUCG-SFHVURJKSA-N	00000010110000000100100000000010000000000000000000000000	31-01-142574
O=Cc1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C(=O)N	PC-id_143208867	463.61	LGUGMKZUDNRAEI-VAWYXSNFSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142575
O=C(c1sc2c(c1)CCCCCC2)OCC(=O)c1cc(n(c1C)C1CCS(=O)(=O)C1)C	PC-id_24341548,MCULE-6352252700,EMOLS-id_19310878	463.61	VQQLMFSDRLIUCG-UHFFFAOYSA-N	00000010110000000100100000000010000000000000000000000000	31-01-142576
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)OCC	PC-id_16837990	463.61	ODVGBWLGNDAZBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142577
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(cc1)C)C(=O)OCC	PC-id_41273430	463.61	FNGQNLNOGXAHAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142578
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)Cc1ccccc1)C(=O)OCC	PC-id_41611801	463.61	JSHGGWGXRVIFHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142579
CCOC1=C(C(=NC1=Cc1c2CCCCCCCCCc(c2)[nH]1)c1ccc([nH]1)C)C(=O)OCC	PC-id_88165642	463.612	GBPVPNIEDYYLOT-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-142580
O=C([C@H]1C2CCC([C@H]1NC(=O)c1nn(c3c1CCCCC3)Cc1ccccc1)C2)OC(C)(C)C	PC-id_66647878,SCHEMBL301676	463.612	XPGIFHOIJKABDQ-YVJUOPSFSA-N	00000010100010110101000000000110000000000000000000000000	31-01-142581
O(C(=O)C1C2CC(C1NC(=O)c1nn(c3c1CCCCC3)Cc1ccccc1)CC2)C(C)(C)C	PC-id_77157988	463.612	XPGIFHOIJKABDQ-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-142582
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)CC)sc2c(CCCCC2)c1C(=O)NC	EMOLS-id_5523521,CoCoCo_5058667,PC-id_18561005,ZINC22_9599752,MCULE-8185040420	463.613	REYGAQAREXQQDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142583
c1(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCCCC2)c1C(=O)N	PC-id_2241439,ZINC22_2889316,MCULE-6689751607,CoCoCo_4651637,SPECS-id_AQ-750/42209837,EMOLS-id_6890302	463.613	QJSCGJQVSMEWCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142584
CCc1c(nc([nH]c1=O)SC(C)C(=O)Nc1c(c2c(s1)CCCCC2)C(=O)OCC)C	PC-id_136630505	463.613	ZCZADQIUTUOUHQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-142585
CCCc1cc(=O)[nH]c(n1)SC(C)C(=O)Nc1c(c2c(s1)CCCCC2)C(=O)OCC	PC-id_136630433	463.613	SVEQHQWQOGIMAB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-142586
CCCc1cc(=O)[nH]c(n1)SCC(=O)Nc1c(c2c(s1)CCCCCC2)C(=O)OCC	PC-id_135506737	463.613	UMMDBGYTFUUTSQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-142587
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cc2c(s1)CCCCC2	CoCoCo_4164667,MCULE-9792123072,EMOLS-id_3615592,PC-id_16319729,ZINC22_13117020	463.613	JCOAMSYREVJWRQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142588
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)C)cc1)C(=O)N	PC-id_23733851	463.613	LPRVPYAIDINKQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142589
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)N(CC)CC)c(cc1)C)C(=O)N	PC-id_55334338	463.613	VTDXXFGOQSKRLG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142590
Brc1ccc(C(=O)NCCC(=O)NNC(=O)c2sc3CCCCCc3c2)cc1	PC-id_43004219	464.376	WTRSLLGHWPWWRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142681
s1c2CCCCCCCCCCc2c(c1N=CC1C(=O)NC(=S)NC1=O)C(=O)OCC	PC-id_23731489	463.613	KSDJXJHMGQCZOR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142591
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCc2n1)c1ccc(OCC)cc1	PC-id_16605144	463.613	GSXFWBONDOJDHP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142592
S(=O)(=O)(N1CCCCCC1)c1cc(ccc1OC)C(=O)Nc1sc2CCCCCc2n1	PC-id_24603970	463.613	VKXKCTDLECRIQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142593
S(=O)(=O)(N1CCOCC1)c1c(CC)ccc(c1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56021596	463.613	YCXZIKFUXSBIHV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142594
S(=O)(=O)(N1CCOCC1)c1ccc(CCC(=O)Nc2sc3CCCCCCc3n2)cc1	PC-id_56021843	463.613	NYMYOTSNWWZWJB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142595
S(=O)(=O)(NC1CCCC1)c1cc(ccc1OC)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56021973	463.613	CUECFFFHKYNPIU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-142596
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3ccc(CC)o3)CCn12	MCULE-8554341108,PC-id_45220136,EMOLS-id_20615115	463.615	OXXHSNUIGFOIFI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142597
CCc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)o1	PC-id_26320888,ZINC22_14958644,CoCoCo_1440719,CoCoCo_1440720	463.615	OXXHSNUIGFOIFI-DEOSSOPVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142598
CCc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)o1	ZINC22_14958640,CoCoCo_1440717,CoCoCo_1440718,PC-id_26320884	463.615	OXXHSNUIGFOIFI-XMMPIXPASA-N	00000000101000110101000000000010000000000000000000000000	31-01-142599
CCCCN(C(=O)C1=CCC=c2c(=C1)n(C)c(n2)NC1=CC=C(CC=C1)C(=O)NC)CCCC	PC-id_142936896	463.615	YOZIVLAZGSUVFP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-142600
Cc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1S(=O)(=O)N1CCCCC1	ZINC22_9831908,CoCoCo_3082147,PC-id_16298473,MCULE-5207196491,EMOLS-id_3597916	463.617	AMUIOKLSYJOFQE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142601
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc2n1CCCCC2	ZINC22_13109777,EMOLS-id_3593586,CoCoCo_3081513,PC-id_16291141,MCULE-1739561618	463.617	DPTZOKKOOCNFFF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142602
COCCNC(=O)c1c(NC(=O)CSc2nnc3n2CCCCC3)sc2c1CCCC2	PC-id_16390208,GD-id_ZINC09948890,CoCoCo_4054338,ZINC22_9948890,EMOLS-id_11865994,MCULE-4571439810	463.617	GTPTWJWFHJXLPB-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-142603
S(=O)(=O)(N1CCCCC1)c1ccc(NC(=O)C(Sc2n3CCCCCc3nn2)C)cc1	PC-id_24371221	463.617	FIXDXGXRAMVQOY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142604
S(=O)(=O)(N1CCCCC1)c1cc(NC(=O)C(Sc2n3CCCCCc3nn2)C)ccc1	PC-id_42985518	463.617	PMIHVUSENUODLO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142605
Cc1cccc2sc(N(Cc3ccccc3)C(=O)CSc3nnc4n3CCCCC4)nc12	CoCoCo_4054280,MCULE-4089343682,PC-id_16333460,ZINC22_13128254,EMOLS-id_3686141	463.618	OGKFNAFNKMDYMI-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-142606
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	PC-id_41153251,ZINC22_9633988,CoCoCo_3082268	463.618	ZRWONHKQXPSPTF-INIZCTEOSA-N	00000000100000110101000001000010000000000000000000000000	31-01-142607
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1	ZINC22_9633989,PC-id_41153252,CoCoCo_3082267	463.618	ZRWONHKQXPSPTF-MRXNPFEDSA-N	00000000100000110101000001000010000000000000000000000000	31-01-142608
O=C(C(Sc1nnc2n1CCCCC2)C)Nc1ccc(cc1)Cc1nc2c(s1)cccc2	EMOLS-id_11661186,MCULE-1571217605,PC-id_16265411	463.618	ZRWONHKQXPSPTF-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-142609
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC=C)C#N	PC-id_19729893	463.618	YOFVZSAOFKHRGP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142610
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC=C)C#N	PC-id_19730086	463.618	AFPGSUFFWBLGMK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142611
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC=C)C#N	PC-id_19730278	463.618	MCCNHQBNPVZGFU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142612
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC=C)C#N	PC-id_17302832	463.618	JQEGRDXMHASLBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142613
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccccc1)CC=C)C#N	PC-id_19728019	463.618	VTMWEBGDKZVHJT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142614
S(c1n(c(nn1)C1CC1)Cc1ccccc1)CC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_45719078	463.618	MYRIKGRRHWCHDJ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-142615
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCCCCCCCCC2)c1C(=O)OCC	MCULE-1207112408,TIMTEC464069,PC-id_4459945,EMOLS-id_4147932	463.63	SZMKHYLMFCQDMN-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-142616
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	PC-id_28698225,CoCoCo_6790103,ZINC22_20168314	463.63	SZMKHYLMFCQDMN-ROUUACIJSA-N	00000000100010000100000000000010000000000000000000000000	31-01-142617
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	PC-id_28698230,ZINC22_20168317,CoCoCo_6790102	463.63	SZMKHYLMFCQDMN-ZWKOTPCHSA-N	00000000100010000100000000000010000000000000000000000000	31-01-142618
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_20168311,CoCoCo_6790104,PC-id_28698222	463.63	SZMKHYLMFCQDMN-MSOLQXFVSA-N	00000000100010000100000000000010000000000000000000000000	31-01-142619
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_20168316,PC-id_28698228,CoCoCo_6790101	463.63	SZMKHYLMFCQDMN-QZTJIDSGSA-N	00000000100010000100000000000010000000000000000000000000	31-01-142620
CC(C)(C)c1cc(ccc1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCCNCC1	PC-id_89125877	463.638	ILJXUHSCCIWPEA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-142621
CC(C)(C)c1cc(ccc1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)NCC1CCNC1	PC-id_89125922	463.638	YCSINXHAVSKPQQ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-142622
CC(C)CCNC(=O)c1cc2c(s1)C(=C)N(CCCCCN=CN2)Cc1ccccc1C#N	PC-id_135248087,SCHEMBL20407951	463.638	HAKOOUKWXZTZOX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-142623
O=C(c1cc2c(s1)/C=CC/C=NC(=N/C2)Nc1cccc(c1)C(C)(C)C)N1CCNCCC1	SCHEMBL13591889	463.638	ILJXUHSCCIWPEA-RETQXJRTSA-N	00000000100000110111000000000010000000000000000000000000	31-01-142624
O=C(c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1cccc(c1)C(C)(C)C)NCC1CNCC1	SCHEMBL13591966	463.638	YCSINXHAVSKPQQ-BSMWZZNJSA-N	00000010100000110111000000000010000000000000000000000000	31-01-142625
C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4299729,ZINC22_9846699,PC-id_41242804	463.64	XZITXSYJQPWUDR-OLZOCXBDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-142626
Brc1cc(C(=O)NCC(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc1	PC-id_24643164	464.376	NLPDHHNMPNLJAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142682
C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41242803,ZINC22_9846697,CoCoCo_4299727	463.64	XZITXSYJQPWUDR-STQMWFEESA-N	00000010100000000101000000000010000000000000000000000000	31-01-142627
C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9846701,CoCoCo_4299728,PC-id_41242805	463.64	XZITXSYJQPWUDR-QWHCGFSZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-142628
C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9846704,CoCoCo_4299726,PC-id_41242806	463.64	XZITXSYJQPWUDR-CHWSQXEVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-142629
N#Cc1c(NC(=O)C(Sc2nnc(s2)NCC2CCCO2)C)sc2c1CCCCC2	MCULE-3429311776,EMOLS-id_11774079,PC-id_16334559	463.64	XZITXSYJQPWUDR-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-142630
s1c2CC(CCc2nc1NC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C	PC-id_19676600	463.68	ALUATDNFDQJDBV-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-142631
Brc1ccc(c(c1)Cl)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	MCULE-6755920223,CoCoCo_3538130,EMOLS-id_17161735,PC-id_25488632	463.797	GTESBZZISYVDEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142632
Clc1ccc(cc1)NCc1c[n+](c2n1CCCCC2)CC(=O)c1ccc(c(c1)Cl)Cl	GD-id_ZINC27028266,PC-id_34319628,CoCoCo_6132034	463.807	SFEBJPVGNMYJMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142633
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc(Cl)c(Cl)c1	PC-id_20415748	463.829	GXABWBNTKHFLKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142634
O=C(Nc1cccc(Cl)c1)N(Cc1nnc2n1CCCCC2)c1cccc(C(F)(F)F)c1	EMOLS-id_48981835,ZINC22_3254042,MCULE-9605780870,CoCoCo_3777806,PC-id_2370828	463.883	ONIRZMJFHATQIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142635
O=C(Nc1ccc(Cl)cc1)N(Cc1nnc2n1CCCCC2)c1cccc(C(F)(F)F)c1	MCULE-3141537513,CoCoCo_3777812,ZINC22_3254054,PC-id_2370836,EMOLS-id_3051680	463.883	DKPXSFCGJNGKHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142636
Clc1c(c2oc(C[NH+]3CCn4c(nnc4CNC(=O)c4ncccc4)CC3)cc2)cccc1	PC-id_42397623	463.939	JFXZBOAIPHAXQE-UHFFFAOYSA-O	00000000101000111101100000000010000000000000000000000000	31-01-142637
Clc1n(c2C(=Cc3cc(c(OC)c(c3)C)C)C(=O)N(C=Cc2n1)C)COCc1ccccc1	PC-id_49836851	463.956	SMZKMMQKTDGQFU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-142638
COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCO4)n3CC2)c(Cl)c1OC	MCULE-5998554049,PC-id_45188372,EMOLS-id_20477579	463.958	ASRSEFAMCKLRMH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-142639
COc1ccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(Cl)c1OC	PC-id_28955899,ZINC22_20452814,CoCoCo_1239229,CoCoCo_1239227	463.958	ASRSEFAMCKLRMH-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-142640
COc1ccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c(Cl)c1OC	ZINC22_20452816,PC-id_28955900,CoCoCo_1239228,CoCoCo_1239226	463.958	ASRSEFAMCKLRMH-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-142641
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(CCn12)C(=O)/C=C/c1cccc(Cl)c1	EMOLS-id_26010317,PC-id_26318664,CoCoCo_1433688,ZINC22_14955054	463.959	ANFMDPCHWCUWGA-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142642
Cc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)C(=O)/C=Cc1cccc(c1)Cl	CoCoCo_1433689	463.959	ANFMDPCHWCUWGA-YFHOEESVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142643
n12CCN(CCc1nnc2CCNC(=O)c1ccc(cc1)C)C(=O)C=Cc1cccc(Cl)c1	PC-id_74495818,MCULE-2386598975	463.959	ANFMDPCHWCUWGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142644
c1ccc2c(c(cn2Cc2ccccc2Cl)C(=O)C(=O)Nc2nc3CCCCCc3s2)c1	EMOLS-id_13191528,MS2_ST072073,SPECS-id_AN-153/J102775,ZINC22_12375615,PC-id_17233963,MCULE-9275015676	463.979	HPULNZCOCPRHTA-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-142645
COC[C@@H]1CC(CN1C(=O)c1cc2n(n1)CCN(CC2)C)C=NC(=O)c1ccc(s1)Cl	PC-id_145481277	463.981	OZSSIJXAFMJXLL-WMCAAGNKSA-N	00000010100100000101000000000010000000000000000000000000	31-01-142646
Clc1ccc(cc1)Cn1nc(c2c1C(CCCC2)Cc1cccc(c1)O)C(=O)N(C1CC1)C	PC-id_66635845,SCHEMBL257729	463.999	MNMOZAQZSOQMJX-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-142647
Clc1ccc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C#N)cc1	PC-id_16924064	464.001	HDUINXCAYFNTLJ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-142648
Clc1cn(nc1)Cc1cc(sc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_19494549	464.001	UERJKFLNLWAHJD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-142649
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2	CoCoCo_1470784,CoCoCo_1470782,ZINC22_14975501	464.002	CQLVXSVRSHEGMC-SEDGDDRASA-N	00000000100000110101000000000010000000000000000000000000	31-01-142650
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2	CoCoCo_1470788,CoCoCo_1470786,ZINC22_14975505	464.002	CQLVXSVRSHEGMC-IRJMIRDBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142651
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(C/C(=C/c3ccccc3)/Cl)CCn12	EMOLS-id_26012797	464.002	CQLVXSVRSHEGMC-NKFKGCMQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142652
Cl/C(=C/c1ccccc1)/CN1CCn2c(CC1)nnc2[C@H](NC(=O)CCc1ccccc1)C	CoCoCo_1470783,CoCoCo_1470781	464.002	CQLVXSVRSHEGMC-SXKRPYPPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142653
Cl/C(=C/c1ccccc1)/CN1CCn2c(CC1)nnc2[C@@H](NC(=O)CCc1ccccc1)C	CoCoCo_1470785,CoCoCo_1470787	464.002	CQLVXSVRSHEGMC-KNOQIOAQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142654
ClC(=Cc1ccccc1)CN1CCn2c(nnc2[C@H](NC(=O)CCc2ccccc2)C)CC1	PC-id_26331696	464.002	CQLVXSVRSHEGMC-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142655
ClC(=Cc1ccccc1)CN1CCn2c(nnc2[C@@H](NC(=O)CCc2ccccc2)C)CC1	PC-id_26331700	464.002	CQLVXSVRSHEGMC-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142656
n12CCN(CCc1nnc2C(C)NC(=O)CCc1ccccc1)CC(=Cc1ccccc1)Cl	PC-id_45224885,MCULE-6104044896	464.002	CQLVXSVRSHEGMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142657
c1(NC(=O)CCCOc2ccc(cc2C)Cl)sc2c(CCCCC2)c1C(=O)OCCC	SPECS-id_AK-968/11987024,ZINC22_2081761,EMOLS-id_4148110,PC-id_1741048,TIMTEC280184,CoCoCo_5815365,MCULE-1383419243	464.017	LCDCRAVGLDOATL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142658
Clc1cc(c(OCCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cc1)C	PC-id_4115947	464.017	YKIAMYAOVGSRSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142659
Clc1cc(c(OCCCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1)C	PC-id_4292237	464.017	CYYWGCMZKNIGHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142660
Clc1ccc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_19654489	464.044	WSDDBAZINIHGFI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142661
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_19654619	464.044	YVQYXILIBFXDCE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142662
CC1(CN=COCCC2=C1N(C(=O)N2)C[C@@H]3CC=C(C=C3F)[I-]C)F	PC-id_163994828	464.065	GRVBLVMZXDTQBA-PIJUOJQZSA-N	00000000100011000111000000000010000000000000000000000000	31-01-142663
CC(C)C(C(=O)CC1CC2=CC=C(O2)CCNC(=O)C1=O)NS(=O)(=O)C3=CC=C(C=C3)F	PC-id_148287302	464.142	KWOGUVKCSAFIDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142664
COC(=O)/C=C/1CCc2sc(c(c2Br)Br)CCC(=O)/C=C1/OC	PC-id_101634932	464.169	VSBPQIWXJSHARB-BIZFVBGRSA-N	00000000100000000110000000000010000000000000000000000000	31-01-142665
C1CN(CCN2C1=C(C(=N2)C(=O)N3CCC4=NNN=C4C3)CC5=C(C=C(C=C5)C#N)F)C(=O)O	PC-id_149961422	464.172	CTIJWNHPTGHYDD-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-142666
C1CN(CCN2C1=C(C(=N2)C(=O)N3CCC4=NNN=C4C3)CC5=CC(=C(C=C5)C#N)F)C(=O)O	PC-id_151639215	464.172	QSEABOGNPBORJZ-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-142667
C1CN(CCN2C1=CC(=N2)C(=O)N3CCC4=NNN=C4C3)C(=O)COC5=CC(=C(C=C5)C#N)F	PC-id_153515779	464.172	CAFVKNLRHLMCBX-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-142668
C1CN(CCN2C1=CC(=N2)C(=O)N3CCC4=NNN=C4C3)C(=O)COC5=C(C=C(C=C5)C#N)F	PC-id_153515784	464.172	UVCHKUUKYVEMLO-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-142669
C/C=C(/CCCCCO)C1=CCC=CC2=NN(C=C12)CC3=CC=C(C=C3)OC(C(F)F)(F)F	PC-id_153716982	464.209	BJLLCPVVUWXWAJ-UYKKPYKBSA-N	00000000100000110111000000000010000000000000000000000000	31-01-142670
CC(C)C(CC(=O)OCC(C)(C)C)C(=O)CC1CCC2=NC=C(S2)CCCNC(=O)C1=O	PC-id_160223084	464.234	PJLAESVHPGTCQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142671
CCCCC(CCc1c2c(cn1[O-])OCC(CO2)(N)N)c1c2c(cn1[O-])OCC(CO2)(N)N	PC-id_164121227	464.239	DPESBXSXDHZTBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142672
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3CCN(CC3)C(=O)OC	PC-id_155171407	464.263	PMJGSWGNNMFWCN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142673
CCOC1=NC2=C(O1)CCN(CC2)CCC3CCC(CC3)CC(=O)C4=CC=CC5=NN(C=C54)C	PC-id_161943650	464.279	YKVSACQYPCPFBF-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-142674
COC(=O)c1c2-c(c(c1N(C(=O)C)C(=O)C)C(=O)OC)ccc(c(c2)C(C)C)Br	PC-id_102239341	464.306	LGPMZBHWXYBPGO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142675
BrC1C(=CC2=NC(=O)NC2=C1)NC(=O)COC(=O)c1sc2CCCCCc2c1	PC-id_73244893	464.333	CKMFNQJNWUPZKS-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-142676
O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1cc2[nH]c(=O)[nH]c2cc1Br	CoCoCo_3934863,ZINC22_13037850,PC-id_16262586,EMOLS-id_43925060,MCULE-5170674560	464.333	JXMDZESHCNWDKV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-142677
CC(=O)Nc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_118875574,SCHEMBL17509131	464.362	IMRDMPHMLBDLGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142678
c1(NC(=O)c2c(C)onc2c2c(cccc2Cl)Cl)sc2c(CCCCC2)c1C(=O)N	SPECS-id_AK-968/41925880,CoCoCo_903445,ZINC22_656533,EMOLS-id_2199910,MCULE-7304175966,TIMTEC257790,PC-id_1001028	464.365	KDGBNBWUKSPARR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142679
CN1CCc2c(CC1)nc(s2)Nc1c(O)cc(cc1C(=O)Nc1ccc(cn1)Cl)Cl	PC-id_145508600	464.368	ZVBIVONOYFFGTQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142680
CCOC(=O)[C@H](Cc1cccc(c1)Br)CCCCn1cnc2c1NC=[NH+]C[C@@H]2O	GD-id_ZINC13807279	464.376	XIRHWMQXMARTED-WMZOPIPTSA-O	00000000100000110111000000000010000000000000000000000000	31-01-142683
CCOC(=O)[C@@H](Cc1cccc(c1)Br)CCCCn1cnc2c1NC=[NH+]C[C@H]2O	GD-id_ZINC13807287	464.376	XIRHWMQXMARTED-SJLPKXTDSA-O	00000000100000110111000000000010000000000000000000000000	31-01-142684
Brc1cc(N(CCN(CC)CC)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_56095148	464.399	KRGBZWMOYQLMKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142685
CN(Cc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	PC-id_140700504	464.405	YFFBHSAZAYLRPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142686
Brc1ccc(SCC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_46449535	464.422	QPVIYPOOVBXTIG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142687
Brc1sc2c(c1)C(=O)N(CCC2)CCCCN1CCN(CC1)c1ncccn1	PC-id_9825681,SCHEMBL9037898	464.422	NQNMGWOKDHMJFC-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-142688
Brc1sc2c(N(CCCCN3CCN(CC3)c3ncccn3)C(=O)CCC2)c1	PC-id_19881120	464.422	XHNUMRNUACLMJQ-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-142689
COCN(C(=O)Cc1ccc2-c(cc1)c(c(c2OC(=O)OCC)N)OC(=O)OCC)C(=O)O	SCHEMBL7310762,PC-id_70052043	464.423	DGXVCMVYYHUYHU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142690
O=C(c1c(sc2c1CCCCCC2)NC(=O)C(F)(F)F)Nc1cccc(c1)C(F)(F)F	PC-id_11539940,SCHEMBL4153255	464.425	QTRFAVVWMAWKGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142691
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3CNC(=O)c3cc(F)ccc3)CC2)cc1	PC-id_42328464	464.436	APUYUAHVVIBEFE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142692
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(nn(c1)C)C(=O)NCc1occc1	PC-id_19523806	464.441	QPBVXTWRBWMVJP-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-142693
O=C(c1n(C)cc2c1OC[C@@H](NS2(=O)=O)C(c1ccccn1)O)Nc1ccc(c(c1)F)F	PC-id_139471391,SCHEMBL21337388	464.443	GDDUYDGRROMEDH-NNJIEVJOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142694
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)C(c1ccccn1)O)Nc1ccc(c(c1)F)F	SCHEMBL18352802	464.443	GDDUYDGRROMEDH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142695
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)C(c1cccnc1)O)Nc1ccc(c(c1)F)F	SCHEMBL18353523	464.443	QBUUIFPTXXEGNA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142696
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)C(c1ccncc1)O)Nc1ccc(c(c1)F)F	SCHEMBL18353400	464.443	CTDRMUXCHITKOK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142697
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCCP(=O)(C)C	SCHEMBL8153093,PC-id_53936174	464.449	IUOHPOJLSJTICO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142698
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OC([PH2]=O)(C)C)C	SCHEMBL8158734	464.449	FKGGINJVPNJVPY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142699
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OCP(=O)(C)C)C	PC-id_54092400,SCHEMBL8158728	464.449	MUTTVBGXNGJSDB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142700
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(P(=O)(C)C)OCC	SCHEMBL8153098	464.449	IOCIHLGOMYGQPU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142701
Fc1cc(ccc1COC(=O)N1CCc2cc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1)C#N	PC-id_118394548,SCHEMBL17112989,BindingDB-id_913857	464.452	FCDVKPXUJSOLBD-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-142702
Fc1cc(COC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)ccc1C#N	PC-id_118394499,BindingDB-id_913856,SCHEMBL17112933	464.452	XYXJKFGZOCUJAV-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-142703
CCOC(=O)Oc1c2-c(ccc(cc2)CC(=O)NOCCCCO)c(c1N)OC(=O)OCC	PC-id_88126140,SCHEMBL7310370	464.466	AWEBHOQAOFFLBE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142704
O=C1C(CCn2c(N1C)cc(n2)C#CC1CC1(F)F)CC(=O)c1ncn(n1)Cc1ccccc1	PC-id_145225690	464.467	ZSTPHRUPGUGTPN-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-142705
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(F)c(F)c(F)c(F)c1F)C(=O)OCC	PC-id_20413265	464.472	ZGKMGAJPFOGHNN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142706
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(F)c(F)c(F)c(F)c1F)C(=O)OC	PC-id_20413258	464.472	KLNPOGBQSDZULP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142707
CCCc1n[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(nc1)C(F)(F)F	PC-id_121358716,BindingDB-id_731702,SCHEMBL17777774	464.481	WTUZXMGHEJRCEV-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-142708
COCC(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20589480,PC-id_137363287	464.481	XQCZOYHOVZVXHK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142709
s1c2c(CCCCC2)c(c1NC(=O)c1c([N+](=O)[O-])c(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_52598447	464.489	AOABWROSFCVKGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142710
CN(CC(=O)NCc1ccccn1)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-8499496953,EMOLS-id_25387930,PC-id_46049517	464.492	DKQNVWAXPSXMTB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142711
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCc2cccnc2)cc1	PC-id_42854952	464.492	KTBVALUJEUWYAC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142712
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCc2ccncc2)cc1	PC-id_46049830,EMOLS-id_25387676,MCULE-6449282814	464.492	IVYILFMIFVCHOC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142713
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCc2ncccc2)cc1	PC-id_42854951	464.492	QDNOONAPYPIMHA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142714
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCc2cccnc2)C)cc1	PC-id_46049506	464.492	OHMYXLRDYAEDPF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142715
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NCc2cccnc2)C)cc1	PC-id_46049518,MCULE-6527787082,EMOLS-id_25387932	464.492	XQZNYSVHQZBSMW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142716
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCc2ccncc2)C)cc1	PC-id_46049793	464.492	BFSNAEGVQFFPBV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142717
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NCc2ccncc2)C)cc1	PC-id_46049808	464.492	SMMWROFAYRVNQC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142718
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)c1cc([N+](=O)[O-])ccc1	PC-id_55560429	464.495	SVSAGPZDTXDBBY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142719
Fc1c2/C(=C/c3c4-c(c(c3)C)c(OCCCN3CCOCC3)cccc4)/C(=O)Nc2ccc1F	CHEMBL1258831,PC-id_52950048,BindingDB_PC-id_52950048	464.504	GWRSJXLJZMPWFN-SILNSSARSA-N	00000010100010100111000000001010000000000000000000000000	31-01-142720
Fc1c2C(=Cc3c4-c(c(c3)C)c(OCCCN3CCOCC3)cccc4)C(=O)Nc2ccc1F	PC-id_73952823	464.504	GWRSJXLJZMPWFN-UHFFFAOYSA-N	00000010100010100111000000001010000000000000000000000000	31-01-142721
F[C@@H]1C[C@H](N(C1)C(=O)Cc1cc(c2-c1ccccc2)C(=O)C)C(=O)NCc1cccc(c1F)C	SCHEMBL18826378	464.504	PVACQJGPNKGJIT-YKSBVNFPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-142722
s1c2CCCCCc2c(c1NC(=O)CN(CC(=O)Nc1c(cccc1)C(F)(F)F)C)C#N	PC-id_4824888	464.504	HQEMABJLTKHGFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142723
O=Cc1cc2c(o1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	PC-id_139709969	464.512	YJJOUEZARSSFFF-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-142724
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(OC)c(c(OC)c1)OC)c2)Cc1ccccc1	PC-id_20964721,CoCoCo_2544519,MCULE-9583989489,EMOLS-id_16324640	464.514	MHSYKUDXHJAECA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142725
O=NCC(=O)Nc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN(C)C)/C(=O)N2	PC-id_145511638	464.517	ZOGYNMZQONHNPU-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-142726
COC1CN(C1)Cc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366754	464.52	GITKEVLEXHBVEL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-142727
COC1CN(C1)Cc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367349	464.52	GITKEVLEXHBVEL-IBGZPJMESA-N	00001000100000110101000000000010000000000000000000000000	31-01-142728
O=C1C(CCn2c(N1C)cc(n2)CN1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366750	464.52	ZFJMYKLXBHHTMR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142729
O=C1[C@H](CCn2c(N1C)cc(n2)CN1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366756	464.52	ZFJMYKLXBHHTMR-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-142730
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3ccccc3C(F)(F)F)CCn12	MCULE-7312238207,PC-id_45170643,ChEMBL-DNDi_CHEMBL11753642,EMOLS-id_20400964	464.527	MGIFWPLUSYHJLL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142731
C[C@@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2	CoCoCo_1133100,CoCoCo_1133101,PC-id_30853223,CoCoCo_1133099,CoCoCo_1133102,ZINC22_11967270	464.527	MGIFWPLUSYHJLL-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142732
C[C@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2	PC-id_30853226,CoCoCo_1133105,CoCoCo_1133106,ZINC22_11967275,CoCoCo_1133104,CoCoCo_1133103	464.527	MGIFWPLUSYHJLL-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142733
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]1CCN(CC1)c1ncc(cc1)C(F)(F)F)C#N	PC-id_25685261	464.527	BJAUUSYJVKKPJV-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-142734
FC(F)Oc1ccccc1/C=C(/c1nc(c2ccccc2)cs1)c1nnc2n1CCCCC2	ZINC22_33557444,PC-id_75409213,CoCoCo_3768108	464.53	LDJHSWAGAOZCIU-XDJHFCHBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142735
FC(Oc1ccccc1/C=C(/c1nnc2n1CCCCC2)c1scc(n1)c1ccccc1)F	CoCoCo_3768107	464.53	LDJHSWAGAOZCIU-CYVLTUHYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142736
FC(Oc1ccccc1C=C(c1nnc2n1CCCCC2)c1scc(n1)c1ccccc1)F	MCULE-2312484011,EMOLS-id_300995825,PC-id_3429767	464.53	LDJHSWAGAOZCIU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142737
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OCCCC)c2)Cc1ccc(cc1)F	EMOLS-id_16324756,CoCoCo_2544606,PC-id_20964772,MCULE-3929373494	464.532	FLJYIJRWIBSIME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142738
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OCCCC)c2)Cc1cccc(F)c1	EMOLS-id_32633064,PC-id_53086373,MCULE-7692851263	464.532	LWYRDBARIVKMFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142739
CN1CCN(CC1)C(=O)CCc1c([nH]c2c1C(=O)CCCC2)/C=C/1C(=O)Nc2c1cc(F)cc2	SCHEMBL12792855,PC-id_59406600	464.532	FKYUHBOINQURFJ-CYVLTUHYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-142740
Fc1cc2C(=Cc3[nH]c4c(c3CCC(=O)N3CCN(CC3)C)C(=O)CCCC4)C(=O)Nc2cc1	PC-id_72275681	464.532	FKYUHBOINQURFJ-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-142741
Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)C(c1ccccc1)OC(=O)c1cc2c(s1)CCCCC2	MCULE-4632918929,PC-id_4869394,EMOLS-id_43703885	464.533	UXVNJJFKDBEQJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142742
Cc1ccc(NC(=O)[C@H](OC(=O)c2cc3c(s2)CCCCC3)c2ccccc2)c([N+](=O)[O-])c1	CoCoCo_2861293,ZINC22_12551377,PC-id_25352459	464.533	UXVNJJFKDBEQJB-HSZRJFAPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142743
Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc3c(s2)CCCCC3)c2ccccc2)c([N+](=O)[O-])c1	ZINC22_12551374,PC-id_25352457,CoCoCo_2861292	464.533	UXVNJJFKDBEQJB-QHCPKHFHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142744
O1c2cc(C[NH+]3CCn4c(nnc4CCNC(=O)c4ccc(cc4)C)CC3)cc(OC)c2OC1	PC-id_26351239	464.537	OZEFPSLTYVWIDE-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-142745
O(C(=O)c1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)cc1)C	PC-id_42189304	464.537	WUELMWIJXOAJMW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142746
s1c2CCCCCc2c(c1NC(=O)COc1cn(nc1C(=O)OCC)c1ccccc1)C#N	PC-id_55750284	464.537	IMSOPHJXBFXHIX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142747
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1ccc(n2c(c[nH]c2=O)C)cc1)C)C#N	PC-id_56108460	464.537	LXYSPDXELDLEOL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142748
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C1=NN(C(=O)CC1)c1ccccc1)C)C#N	PC-id_55420663	464.537	KQXTVOQFAIMDLX-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-142749
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCc1oc(nn1)c1ccc(cc1)C)C#N	PC-id_55427691	464.537	VXQJNNAJBFERMZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142750
S(=O)(=O)(Oc1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)c1ccc(cc1)C	PC-id_27115466	464.537	UESGOUDSXNRDPF-XMHGGMMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-142751
S(=O)(=O)(Oc1c(OC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1)c1ccc(cc1)C	PC-id_74519855	464.537	UESGOUDSXNRDPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142752
C1COCCN1CC1=Cc2c(C=CC1)nc([nH]2)/C(=C(/C=N)NC(=O)c1cn2ccsc2n1)/N	PC-id_136931404	464.543	NVFPKCRVSSOGJC-AKYHHYSKSA-N	00000000100010000111000100000010000000000000000000000000	31-01-142753
N/C=C(C(=N)c1nc2c([nH]1)C=CCC(=C2)CN1CCOCC1)/NC(=O)c1cn2c(n1)scc2	SCHEMBL16471225	464.543	FAQCLQXMNIELSA-JNTYBJLZSA-N	00000000100010000111000100000010000000000000000000000000	31-01-142754
s1c2CCCCCc2nc1CNc1nc(NC2CC2)n2ncc(c2n1)/C=C/1CC(=O)NC1=O	PC-id_58314120	464.543	CRMIPDJAOPJCAH-XYOKQWHBSA-N	00100010100000100101000001000010000000000000000000000000	31-01-142755
s1c2CCCCCc2nc1CNc1nc(NC2CC2)n2ncc(c2n1)C=C1CC(=O)NC1=O	PC-id_76757559	464.543	CRMIPDJAOPJCAH-UHFFFAOYSA-N	00100010100000100101000001000010000000000000000000000000	31-01-142756
s1c2CCCCCc2c(c1NC(=O)CC[NH+](Cc1cc(OC)c(OC(F)F)cc1)C)C#N	PC-id_2552731	464.549	SKSHTWWKXDTRQV-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-142757
O=c1n(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2n1CCCCC2	SCHEMBL9383115,CHEMBL58415,PC-id_15105345	464.55	FEOLPJRZFJQEMX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142758
Cc1ccc(c(c1)C)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1cco2	PC-id_139710005	464.555	LWNUOZMRVOTRLZ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-142759
C=CCOc1ccccc1C[N@@H+]1CCn2c(CC1)nnc2CCNC(=O)Cc1ccc(cc1)F	GD-id_ZINC11788105,PC-id_42168580	464.555	WSMGVHBOOZFZOP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142760
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)C/C=C/c2ccc(OC)cc2)cc1	PC-id_26347246	464.555	QAUOQYVKUMSGQD-NSCUHMNNSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142761
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)CC=Cc2ccc(OC)cc2)cc1	PC-id_74499055	464.555	QAUOQYVKUMSGQD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142762
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)C/C=C/c2c(OC)cccc2)cc1	PC-id_26326119	464.555	ZGNYUAFCQIATCT-GQCTYLIASA-O	00000000100000110101000000000010000000000000000000000000	31-01-142763
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)CC=Cc2c(OC)cccc2)cc1	PC-id_74496698	464.555	ZGNYUAFCQIATCT-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142764
O=C(NC(C(=O)NC1Cc2ncoc2CCCCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21109486,PC-id_138730332	464.555	DJKGOXPKMAFHQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142765
O=C(NC(C(=O)NC1CCCc2cnoc2CCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	PC-id_138730911,SCHEMBL21110069	464.555	RERXQOHHJINUCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142766
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)CC)cc1)C(=O)NC(=O)OC	PC-id_41044767	464.555	ZGZASTKLHRPUDC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142767
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)CC)ccc1)C(=O)NC(=O)OC	PC-id_16822977	464.555	BIGWITTUGXLHIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142768
s1c2c(CCCCC2)c(c1NC(=O)c1c(S(=O)(=O)CC)cccc1)C(=O)NC(=O)OC	PC-id_41028488	464.555	GNGDKRDPEBMSRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142769
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C)cc1)C(=O)NC(=O)OC	PC-id_41139673	464.555	SDSHCBPMEZDRCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142770
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CNC(=O)c1sc(cc1)C)C(=O)OC	PC-id_3896940	464.555	JZVPYCYCTSQZSJ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-142771
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)Cc1ccccc1)C(=O)NC(=O)OC	PC-id_41582333	464.555	YISPDECKIZOGEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142772
Cc1c2c(ccc1)NC(=O)C2=Cc1c(c2c([nH]1)CCCN(C2=O)CC(CN1CCOCC1)O)C	SCHEMBL3136578,PC-id_87484225	464.557	FWKFIUYYGUWMOF-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-142773
COc1ccc(nn1)C(=O)C1CCN(CC1)C(=O)CCCC1=Cn2c(C)ccc2C(=O)CCC1	PC-id_144956128	464.557	OAVGLWISFJFMBH-UHFFFAOYSA-N	00000000100010100111000000000010000000000000000000000000	31-01-142774
OC(CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1c(C)ccc2)CN1CCOCC1	SCHEMBL3136573,PC-id_68524913	464.557	FWKFIUYYGUWMOF-UYRXBGFRSA-N	00000010100010100101000000001010000000000000000000000000	31-01-142775
OC(CN1CCCc2[nH]c(c(c2C1=O)C)C=C1c2c(NC1=O)ccc(c2)C)CN1CCOCC1	PC-id_77953855	464.557	BDOXEXPLSISCMD-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-142776
O[C@@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1c(C)ccc2)CN1CCOCC1	PC-id_25131961,SCHEMBL3136568	464.557	FWKFIUYYGUWMOF-ZJYZBMPFSA-N	00000010100010100101000000001010000000000000000000000000	31-01-142777
O[C@@H](CN1CCCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1c(C)ccc2)CN1CCOCC1	PC-id_68524916,SCHEMBL3136583	464.557	FWKFIUYYGUWMOF-GOSISDBHSA-N	00000010100010100101000000001010000000000000000000000000	31-01-142778
O[C@H](CN1CCCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1c(C)ccc2)CN1CCOCC1	PC-id_68526414,SCHEMBL3140665	464.557	FWKFIUYYGUWMOF-SFHVURJKSA-N	00000010100010100101000000001010000000000000000000000000	31-01-142779
O[C@@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(C)cc2)CN1CCOCC1	PC-id_70917206,SCHEMBL13480264	464.557	BDOXEXPLSISCMD-RXWSAZGZSA-N	00000010100010100101000000001010000000000000000000000000	31-01-142780
O[C@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1c(C)ccc2)CN1CCOCC1	SCHEMBL3140653,PC-id_25131610	464.557	FWKFIUYYGUWMOF-UZNZLNSGSA-N	00000010100010100101000000001010000000000000000000000000	31-01-142781
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(cccc1)C(=O)c1sccc1)C#N	PC-id_46811895	464.557	CACLEPBILGVDAP-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-142782
CC(C(C(=O)NC1Cc2cnsc2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109196,PC-id_138730045	464.558	UAIJBLPUXCHAPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142783
CC(C(C(=O)NC1Cc2ncsc2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730305,SCHEMBL21109459	464.558	YCZVYCRYKBAJAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142784
CC(C(C(=O)NC1Cc2scnc2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109969,PC-id_138730811	464.558	XIVQAQNHJVOOAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142785
CC(C(C(=O)NC1Cc2sncc2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730355,SCHEMBL21109509	464.558	HDZQISQCSDMYQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142786
CC(C(C(=O)NC1CCc2ncsc2CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110167,PC-id_138731009	464.558	LDJLSVQOPGTKHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142787
CC(C(C(=O)NC1CCc2scnc2CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730954,SCHEMBL21110112	464.558	KOEMRGRAHOASGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142788
CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)Nc2nc3CCCCCc3s2)cc1	EMOLS-id_335119232,MCULE-9991577185	464.558	IBWDYQFESULRAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142789
O=C(N1CC(CCC1)C(=O)NCCNC(=O)OC(C)(C)C)Cn1nc2n(CCCCC2)c1=O	PC-id_56217495	464.558	JOOUNONQUBHZRN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142790
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(CCn12)C(=O)c1ocnc1C	MCULE-3028627785,EMOLS-id_20624631,PC-id_45222413,ChEMBL-DNDi_CHEMBL57325199	464.56	JUZJRODPTKIMTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142791
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3cccc(OC)c3O)CCn12	PC-id_45203605,MCULE-3043147844,EMOLS-id_20544311	464.56	RFHAFSYRXRUACW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142792
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3cc(OC)ccc3O)CCn12	MCULE-4788529250,PC-id_45226909,EMOLS-id_20643487	464.56	VXLWCSBGZLYENO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142793
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3ccc(cc3OC)OC)CCn12	PC-id_45181882,ChEMBL-DNDi_CHEMBL18923284,EMOLS-id_20449657,MCULE-3360158362	464.56	ABXZARFSFOQWOF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142794
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3cccc(OCC)c3O)CCn12	ChEMBL-DNDi_CHEMBL91575633,PC-id_45247686,EMOLS-id_20729149,MCULE-5093600532	464.56	OTRLYJDHJSHVCN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142795
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3ccc(c(OCC)c3)O)CCn12	PC-id_45182610,EMOLS-id_43186471,ChEMBL-DNDi_CHEMBL19415092,MCULE-3747440984	464.56	SUOBACSMHNRUCW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142796
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(C(=O)c2ocnc2C)CC3)c1	CoCoCo_1454896,ZINC22_12049307	464.56	JUZJRODPTKIMTC-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142797
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(C(=O)c2ocnc2C)CC3)c1	ZINC22_12049310,CoCoCo_1454895	464.56	JUZJRODPTKIMTC-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142798
CCOc1cccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1O	PC-id_26358857,CoCoCo_1615320,ZINC22_15003020,CoCoCo_1615321	464.56	OTRLYJDHJSHVCN-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142799
CCOc1cccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1O	ZINC22_15003017,CoCoCo_1615323,PC-id_26358854,CoCoCo_1615322	464.56	OTRLYJDHJSHVCN-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142800
CCOc1cc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)ccc1O	CoCoCo_1204155,PC-id_26278398,ZINC22_14882549,CoCoCo_1204154	464.56	SUOBACSMHNRUCW-QHCPKHFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142801
CCOc1cc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)ccc1O	ZINC22_14882550,CoCoCo_1204152,PC-id_26278400,CoCoCo_1204153	464.56	SUOBACSMHNRUCW-HSZRJFAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142802
COc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1O	CoCoCo_1335282,ZINC22_12190244,CoCoCo_1335281	464.56	RFHAFSYRXRUACW-HXUWFJFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142803
COc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1O	ZINC22_12190245,CoCoCo_1335284,CoCoCo_1335283	464.56	RFHAFSYRXRUACW-FQEVSTJZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142804
COc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(OC)c1	CoCoCo_1199827,PC-id_26277125,CoCoCo_1199826,ZINC22_14881529	464.56	ABXZARFSFOQWOF-QHCPKHFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142805
COc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(OC)c1	ZINC22_14881530,PC-id_26277127,CoCoCo_1199824,CoCoCo_1199825	464.56	ABXZARFSFOQWOF-HSZRJFAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142806
COc1ccc(O)c(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1	CoCoCo_1483869,ZINC22_14981428,CoCoCo_1483870,PC-id_26337145	464.56	VXLWCSBGZLYENO-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142807
COc1ccc(O)c(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1	PC-id_26337141,CoCoCo_1483867,CoCoCo_1483868,ZINC22_14981426	464.56	VXLWCSBGZLYENO-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-142808
O(c1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)cc1)C(C)C	PC-id_42274649	464.58	ATBOOFWHTBBFDC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142844
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(N4CCCC4)cc2)CC3)o1	PC-id_42171537,CoCoCo_1183806,MCULE-3341919453,EMOLS-id_20438015,ChEMBL-DNDi_CHEMBL17110966,CoCoCo_1183807,ZINC22_11790795	464.56	ZTWFQDGNHHQTLP-UHFFFAOYSA-N	00000010101000110101100000000010000000000000000000000000	31-01-142809
COCc1ccc(C(=O)NCc2nnc3n2CCN(C/C=C/c2ccc(N(C)C)cc2)CC3)o1	ZINC22_12209921,PC-id_42466158,CoCoCo_1272761,CoCoCo_1272759,EMOLS-id_44852141	464.56	MLBIBHDKINDCKL-SNAWJCMRSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142810
COCc1ccc(o1)C(=O)NCc1nnc2n1CCN(CC2)C/C=Cc1ccc(cc1)N(C)C	CoCoCo_1272758,CoCoCo_1272760	464.56	MLBIBHDKINDCKL-PLNGDYQASA-N	00000000101000110101000000000010000000000000000000000000	31-01-142811
n12CCN(CCc1nnc2CNC(=O)c1ccc(COC)o1)CC=Cc1ccc(cc1)N(C)C	PC-id_74805997,MCULE-7300990626	464.56	MLBIBHDKINDCKL-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-142812
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(F)cc1)C(=O)NC(=O)OC	PC-id_41272016	464.573	GUSWBSKPEPHBHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142813
c1(c2CCCCCc2sc1N=Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1OC)OC	MCULE-8705125323,PC-id_4210270	464.577	SVODPIKPNZQTST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142814
c1(c2CCCCCc2sc1N=Cc1cccc(OC)c1OC)C(=O)Nc1ccc(cc1)OC	MCULE-9110862643,PC-id_3769703	464.577	JVBXWFZFWMHVMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142815
c1(c2CCCCCc2sc1N=Cc1ccc(c(OC)c1)OC)C(=O)Nc1ccc(cc1)OC	PC-id_3797646,MCULE-3374561523	464.577	KISKYJCFJVOKCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142816
c1(c2CCCCCc2sc1NC(=O)C1C(C(=O)O)C2C=CC1C2)C(=O)Nc1cccc(C)c1	EMOLS-id_4148608,TIMTEC395515,PC-id_17377005,MCULE-2817453263	464.577	QAXFTQRBJCFMKX-UHFFFAOYSA-N	00000011100000110100000000000110000000000000000000000000	31-01-142817
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1ccccc1OC	ZINC22_2967853,ChEMBL-DNDi_CHEMBL6240792,SPECS-id_AG-667/13796016,PC-id_2274242,MCULE-7318481856,TIMTEC36374,EMOLS-id_2392989,CoCoCo_1731331	464.577	NYWSTHYEGREWPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142818
c1(c2CCCCCc2sc1NC(=O)COc1ccccc1)C(=O)Nc1ccccc1OCC	EMOLS-id_2387401,TIMTEC431625,MCULE-5086643973,ZINC22_2948300,PC-id_2267453,CoCoCo_1731285,CHEMBL1603379	464.577	RPJBSBKJWIBQIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142819
Cc1cccc(c1)NC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_6825858	464.577	QAXFTQRBJCFMKX-VAKZPMALSA-N	00000011100000110100000000000110000000000000000000000000	31-01-142820
Cc1cccc(c1)NC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_6825859,PC-id_28922680	464.577	QAXFTQRBJCFMKX-HDIOYNLWSA-N	00000011100000110100000000000110000000000000000000000000	31-01-142821
Cc1cccc(c1)NC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_6825860	464.577	QAXFTQRBJCFMKX-OBNJBMLMSA-N	00000011100000110100000000000110000000000000000000000000	31-01-142822
Cc1cccc(c1)NC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_6825861	464.577	QAXFTQRBJCFMKX-QMKUDKLTSA-N	00000011100000110100000000000110000000000000000000000000	31-01-142823
Cc1cccc(c1)NC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_6825862,PC-id_28922682	464.577	QAXFTQRBJCFMKX-GQSCTRQFSA-N	00000011100000110100000000000110000000000000000000000000	31-01-142824
Cc1cccc(c1)NC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCC2	CoCoCo_6825863	464.577	QAXFTQRBJCFMKX-LXDRIQHSSA-N	00000011100000110100000000000110000000000000000000000000	31-01-142825
Cc1cccc(NC(=O)c2c(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)sc3c2CCCCC3)c1	CoCoCo_6825856,PC-id_51705757,ZINC22_35897628	464.577	QAXFTQRBJCFMKX-ALGWMNEGSA-N	00000011100000110100000000000110000000000000000000000000	31-01-142826
Cc1cccc(NC(=O)c2c(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)sc3c2CCCCC3)c1	ZINC22_239174448	464.577	QAXFTQRBJCFMKX-LVNJIZSUSA-N	00000011100000110100000000000110000000000000000000000000	31-01-142827
Cc1cccc(NC(=O)c2c(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)sc3c2CCCCC3)c1	ZINC22_239174449	464.577	QAXFTQRBJCFMKX-SNHGZMDHSA-N	00000011100000110100000000000110000000000000000000000000	31-01-142828
Cc1cccc(NC(=O)c2c(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)sc3c2CCCCC3)c1	ZINC22_35897626,PC-id_51705755,CoCoCo_6825857	464.577	QAXFTQRBJCFMKX-XTCWOQMQSA-N	00000011100000110100000000000110000000000000000000000000	31-01-142829
Cc1cccc(NC(=O)c2c(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)sc3c2CCCCC3)c1	PC-id_98299437,ZINC22_102328786	464.577	QAXFTQRBJCFMKX-AFMUBRCDSA-N	00000011100000110100000000000110000000000000000000000000	31-01-142830
Cc1cccc(NC(=O)c2c(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)sc3c2CCCCC3)c1	ZINC22_102328791,PC-id_98299438	464.577	QAXFTQRBJCFMKX-LRGYGIHKSA-N	00000011100000110100000000000110000000000000000000000000	31-01-142831
COc1ccc(cc1)/C=Nc1sc2c(c1C(=O)Nc1ccc(cc1OC)OC)CCCCC2	CoCoCo_6250526	464.577	SVODPIKPNZQTST-YUMHPJSZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142832
COc1ccc(cc1)NC(=O)c1c(/N=Cc2cccc(c2OC)OC)sc2c1CCCCC2	CoCoCo_6250440	464.577	JVBXWFZFWMHVMI-YUMHPJSZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142833
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCCCC3)cc1	ZINC22_9907669,TIMTEC460613,CoCoCo_6250525,EMOLS-id_46388739,PC-id_9653279	464.577	SVODPIKPNZQTST-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-142834
COc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2cccc(OC)c2OC)cc1	CoCoCo_6250439,ZINC22_9907638,PC-id_9635120,TIMTEC250427,EMOLS-id_46388683	464.577	JVBXWFZFWMHVMI-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-142835
COc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2ccc(OC)c(OC)c2)cc1	EMOLS-id_46413575,PC-id_9636464,ZINC22_101892822,CoCoCo_6728568	464.577	KISKYJCFJVOKCP-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-142836
COc1ccc(NC(=O)c2c(/N=Cc3ccc(OC)c(OC)c3)sc3c2CCCCC3)cc1	TIMTEC262727,CoCoCo_6728569,ZINC22_15945615	464.577	KISKYJCFJVOKCP-YUMHPJSZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142837
s1c2CCCCCCc2cc1C(=O)Nc1c(OC)cc(NC(=O)c2ccccc2)c(OC)c1	PC-id_43004503	464.577	KCOHSQYMXFAGGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142838
S(=O)(=O)(NC(Cc1c2c([nH]c1)cccc2)C(=O)O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194140	464.577	ZUZWCGPECGDIIK-UHFFFAOYSA-N	00000010100000100110000001100010000000000000000000000000	31-01-142839
CCN(CC)c1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1	CoCoCo_1413110,MCULE-3476958414,PC-id_26359687,ZINC22_15003990,EMOLS-id_20596569,CoCoCo_1413109	464.578	VMBJSVMSJFYFOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142840
O=C(Cc1ccc(cc1)F)NCCc1nnc2n1CC[N@@H+](CC2)Cc1cc2c(s1)cccc2	PC-id_42367650,GD-id_ZINC12036462	464.578	FAIIOKLJQXUHBN-UHFFFAOYSA-O	00000000100000110101000001000010000000000000000000000000	31-01-142841
COCCC(=O)N[C@H](c1nnc2n1CC[N@H+](CC2)Cc1cccc(c1)OCc1ccccc1)C	GD-id_ZINC11815548,PC-id_42192288	464.58	LONDDSIXRNGLOX-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142842
O(c1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)c3c(cc(cc3)C)C)CC2)cc1)CCO	PC-id_42437140	464.58	DMNRPHLLJOUHKB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142843
O(c1c(c(c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)cc1)C)C)C	PC-id_42471924	464.58	AZYDLEOKFQVYPG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142845
O(c1c(c(c(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)cc1)C)C)C	PC-id_42370414	464.58	IXOAKYFIVLZVBW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142846
O(c1c(cc(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)c(c1)C)C)C	PC-id_42405777	464.58	RFORGWZYTKTTPJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142847
O(c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)cc1)CCO	PC-id_42371136	464.58	MPWPDOFTKAHTSE-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142848
O(c1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)cc1)CCO	PC-id_42371140	464.58	MPWPDOFTKAHTSE-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142849
O(c1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCOC)C)CC2)cc1)Cc1ccccc1	PC-id_26278592	464.58	HOBFILLZPVBKQN-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142850
O(c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)cc1)Cc1ccccc1	PC-id_26278594	464.58	HOBFILLZPVBKQN-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142851
O(c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)cc1)C(C)C	PC-id_42274668	464.58	SQOMMJNHFDMPQG-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142852
O(c1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)cc1)C(C)C	PC-id_42274669	464.58	SQOMMJNHFDMPQG-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142853
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)c(c1)C)C)C	PC-id_42318309	464.58	BUZUWENNGPPWED-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142854
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)c(c1)C)C)C	PC-id_42318310	464.58	BUZUWENNGPPWED-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142855
O(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cc1)CCO	PC-id_74800162	464.58	MPWPDOFTKAHTSE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142856
O(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)cc1)Cc1ccccc1	PC-id_74494144	464.58	HOBFILLZPVBKQN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142857
O(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)cc1)C(C)C	PC-id_74786999	464.58	SQOMMJNHFDMPQG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142858
O(c1c(cc(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)c(c1)C)C)C	PC-id_74791762	464.58	BUZUWENNGPPWED-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142859
O(c1cc(C[NH+]2CCn3c(nnc3CCNC(=O)c3c(cc(cc3)C)C)CC2)cc(OC)c1)C	PC-id_26279899	464.58	QKZLGVVAHFIZRQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142860
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)ccc1)CCO	PC-id_26348081	464.58	MURHPCRLKJEZKO-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142861
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)ccc1)CCO	PC-id_26348084	464.58	MURHPCRLKJEZKO-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142862
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(cc1)CCC)C)C#N	PC-id_55411929	464.58	PINDEWZCDRYOAO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-142882
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)ccc1O)CC	PC-id_42371588	464.58	ADXAWMYFVRVUAV-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142863
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)ccc1O)CC	PC-id_42371591	464.58	ADXAWMYFVRVUAV-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-142864
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCOC)C)CC2)ccc1)Cc1ccccc1	PC-id_42192291	464.58	LONDDSIXRNGLOX-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142865
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COC)C(C)C)CC2)ccc1)c1ccccc1	PC-id_42458122	464.58	BZGSPAMFSKZSDP-VWLOTQADSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142866
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COC)C(C)C)CC2)ccc1)c1ccccc1	PC-id_42458126	464.58	BZGSPAMFSKZSDP-RUZDIDTESA-O	00000000100000110101000000000010000000000000000000000000	31-01-142867
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)ccc1)CCO	PC-id_74499142	464.58	MURHPCRLKJEZKO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142868
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)ccc1O)CC	PC-id_74800217	464.58	ADXAWMYFVRVUAV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142869
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CCOC)C)CC2)ccc1)Cc1ccccc1	PC-id_74777854	464.58	LONDDSIXRNGLOX-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142870
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)COC)C(C)C)CC2)ccc1)c1ccccc1	PC-id_74805055	464.58	BZGSPAMFSKZSDP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142871
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3c(cc(cc3)C)C)CC2)cc(OC)cc1)C	PC-id_42317296	464.58	TWGULPVVRTVBIK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142872
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)ccc(OC)c1)C	PC-id_42272775	464.58	KTVURDZTIZETQJ-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142873
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)ccc(OC)c1)C	PC-id_42272777	464.58	KTVURDZTIZETQJ-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-142874
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)cc(OC)cc1)C	PC-id_26343816	464.58	XNJGVCFZGKIRBW-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142875
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)cc(OC)cc1)C	PC-id_26343820	464.58	XNJGVCFZGKIRBW-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-142876
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)c(OC)ccc1)C	PC-id_26320010	464.58	KIFPOUPORRPHIJ-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142877
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)c(OC)ccc1)C	PC-id_26320013	464.58	KIFPOUPORRPHIJ-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-142878
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)ccc(OC)c1)C	PC-id_74786797	464.58	KTVURDZTIZETQJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142879
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cc(OC)cc1)C	PC-id_74498684	464.58	XNJGVCFZGKIRBW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142880
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)c(OC)ccc1)C	PC-id_74495979	464.58	KIFPOUPORRPHIJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142881
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)[C@](NC1=O)(CCCC)c1ccccc1)C#N	PC-id_52891493	464.58	CWHIHFZOIAQECP-VWLOTQADSA-N	00000010100000110101100000000010000000000000000000000000	31-01-142883
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(CCCC)c1ccccc1)C#N	PC-id_52891494	464.58	CWHIHFZOIAQECP-RUZDIDTESA-N	00000010100000110101100000000010000000000000000000000000	31-01-142884
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CCCC)c1ccccc1)C#N	PC-id_60372326	464.58	CWHIHFZOIAQECP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-142885
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(=Cc1c(n(CCC)c(c1)C)C)C#N)C#N	PC-id_3531154	464.58	FHGBMJBIMHEEHI-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-142886
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C(=C/c1c(n(CCC)c(c1)C)C)/C#N)C#N	PC-id_5853110	464.58	FHGBMJBIMHEEHI-XDHOZWIPSA-N	00000000110000000100000000000010000000000000000000000000	31-01-142887
c1(c2CCCCc2cs1)C(=O)N1CCn2c(CC1)nnc2CNC(=O)CCc1cccnc1	PC-id_42480260,ZINC22_12243033,EMOLS-id_20659943,MCULE-7960472511	464.583	IZUQRGGKYVVVGF-UHFFFAOYSA-N	00000000100010101101000000010010000000000000000000000000	31-01-142888
Cc1cc(C)c2-c(c(c1)C)c(cc2C(=O)C)C(=O)c1cc(c2-c1cc(ccc2C)C(C)C)C(=O)C	PC-id_102042068	464.595	VOVJLJZNXWUAMY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142889
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCCC2	CoCoCo_2861389,ZINC22_9283822,PC-id_41000902	464.598	IHLSAYJAUVPSFQ-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142890
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCCCC2	PC-id_41000901,ZINC22_9283821,CoCoCo_2861390	464.598	IHLSAYJAUVPSFQ-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142891
CC(C[C@H](c1nnc2n1CC[N@H+](CC2)Cc1ccccc1F)NC(=O)c1cc(C)cc(c1)C)C	GD-id_ZINC12097111,PC-id_42405281	464.598	GRXKYVDGBIMROB-XMMPIXPASA-O	00000000100000110101000000000010000000000000000000000000	31-01-142892
CC(C[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1ccccc1F)NC(=O)c1cc(C)cc(c1)C)C	PC-id_42405283,GD-id_ZINC12097112	464.598	GRXKYVDGBIMROB-DEOSSOPVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142893
CCOc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1S(=O)(=O)N1CCOCC1	CoCoCo_4047396,EMOLS-id_43950619,MCULE-3563265449,PC-id_16362870,ZINC22_12568800	464.598	AWGAUAYIKSRSLY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142894
COc1ccc(cc1NC(=O)c1cc2CCCCCCc2s1)S(=O)(=O)N1CCOCC1	PC-id_16310040,ZINC22_13164273,MCULE-6932739580,EMOLS-id_3609767,BindingDB-id_126785,BindingDB_PC-id_16310040,CoCoCo_3246771	464.598	DMFJVESKRGCNOS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142895
COc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1S(=O)(=O)N1CCOCC1	CoCoCo_3280008,EMOLS-id_43830166,MCULE-5938199357,ZINC22_12685598,PC-id_25437954	464.598	QJSMKMHXKKWDRN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142896
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)c1	MCULE-1318125686,EMOLS-id_3625249,PC-id_16332658,CoCoCo_4002966,ZINC22_9783628	464.598	USOAVBQFYGPTPJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142897
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1OC	PC-id_16296318,MCULE-9823443487,EMOLS-id_3596362,ZINC22_9712854,CoCoCo_3876890	464.598	RENZWKBGSKPNJX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142898
Fc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cccc1	PC-id_74800903	464.598	GRXKYVDGBIMROB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-142899
O=C(C(OC(=O)c1cc2c(s1)CCCCC2)C)Nc1cc(ccc1C)S(=O)(=O)N(C)C	EMOLS-id_3469352,MCULE-5324392632,PC-id_4856337	464.598	IHLSAYJAUVPSFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142900
s1c2CCCCCc2cc1C(=O)OC(C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C	PC-id_42977472	464.598	OZGWTHKWQSHJFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142901
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1	PC-id_16509471	464.598	ASFRJTCCWBLHQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142902
s1c2CCCCCc2cc1C(=O)O[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C	PC-id_29375829	464.598	OZGWTHKWQSHJFT-OAHLLOKOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142903
s1c2CCCCCc2cc1C(=O)O[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)C	PC-id_29375832	464.598	OZGWTHKWQSHJFT-HNNXBMFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142904
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C(=O)OC	PC-id_23884284	464.598	QJDNSKZZOVBIMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142905
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)C)cc1)C(=O)OC	PC-id_44993128	464.598	WADJVWDIDFLHAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142906
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_19678041	464.598	BAQAAAJSIIDHAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142907
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_19678034	464.598	PCIMZNRWGUDGHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142908
CC/C=CC=C
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COc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CCCCC2	GD-id_ZINC15946949	464.6	FGNOBGZEUFTWGN-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-142910
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(C(=O)c2ccccc2)cccc1)C(=O)OC	PC-id_19648856	464.6	WZYVFIXWDPWKOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142911
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)S(=O)(=O)N(C)C)C(=O)NN(C)C	CoCoCo_5058704,EMOLS-id_5523583,MCULE-1051092042,PC-id_18561014	464.601	HFAAUEWKSZNXNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142912
C[C@@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)NC1CCCCC1)nn2)C	PC-id_134828944	464.601	OUUCBPGUZWJMGO-LVCYWYKZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142913
C[C@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)NC1CCCCC1)nn2)C	PC-id_134829005	464.601	OUUCBPGUZWJMGO-UEXGIBASSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142914
Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCCC4)CC2)cc1C(=O)N	EMOLS-id_24969771,MCULE-9695782400,CoCoCo_4400711,ZINC22_28744887,PC-id_35907376	464.601	UZIYQEDXSJDILT-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-142915
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCCC1)C	PC-id_75036386	464.601	APDMZOWNVCUUKT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142916
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCCC1)C	PC-id_75036387	464.601	WMEBRZUCENJNIY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142917
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCCC1)C	CHEBI:112556,PC-id_44505601	464.601	APDMZOWNVCUUKT-BBTUJRGHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142918
C/C=C/1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(cc1C)CNC(=O)CCC1CCNCC1	PC-id_143188729	464.603	XDQAXMLZRPRARC-LKNXVUQUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142935
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCCC1)C	CHEBI:112652,PC-id_44505789	464.601	APDMZOWNVCUUKT-WAOWUJCRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142919
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCCC1)C	CHEBI:96807,PC-id_44505802	464.601	APDMZOWNVCUUKT-LVCYWYKZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142920
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCCC1)C	CHEBI:96824,PC-id_44505787	464.601	APDMZOWNVCUUKT-UEXGIBASSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142921
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCCC1)C	CHEBI:96974,PC-id_44497254	464.601	APDMZOWNVCUUKT-WFXMLNOXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142922
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCCC1)C	PC-id_44505593,CHEBI:96079	464.601	APDMZOWNVCUUKT-DBXWQHBBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142923
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCCC1)C	PC-id_44505597,CHEBI:96460	464.601	APDMZOWNVCUUKT-OPYAIIAOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142924
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)NC1CCCCC1)C	PC-id_44505602,CHEBI:96849	464.601	APDMZOWNVCUUKT-LQWHRVPQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142925
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCCC1)C	CHEBI:112550,PC-id_44505793	464.601	WMEBRZUCENJNIY-DBXWQHBBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142926
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCCC1)C	CHEBI:112586,PC-id_44505788	464.601	WMEBRZUCENJNIY-OPYAIIAOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142927
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCCC1)C	CHEBI:112593,PC-id_44505598	464.601	WMEBRZUCENJNIY-LQWHRVPQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142928
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCCC1)C	CHEBI:112617,PC-id_44505791	464.601	WMEBRZUCENJNIY-WAOWUJCRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142929
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCCC1)C	CHEBI:112636,PC-id_44505600	464.601	WMEBRZUCENJNIY-BBTUJRGHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142930
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCCC1)C	PC-id_44505595,CHEBI:112576	464.601	WMEBRZUCENJNIY-UEXGIBASSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142931
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCCC1)C	PC-id_44505798,CHEBI:95496	464.601	WMEBRZUCENJNIY-WFXMLNOXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142932
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)NC1CCCCC1)C	PC-id_44506014,CHEBI:112472	464.601	WMEBRZUCENJNIY-LVCYWYKZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142933
c1(NC(=O)C=CC(=O)Nc2sc3c(CCCCC3)c2C#N)sc2c(CCCCC2)c1C#N	MCULE-6067675437,PC-id_4346085	464.603	WGGRGSXTWNQTLV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-142934
CC(C[C@@H](c1nnc2n1CC[N@@H+](CC2)Cc1cc2c(s1)cccc2)NC(=O)c1ccco1)C	GD-id_ZINC11788136,PC-id_42168613	464.603	YXZAPIPJPMDJPW-FQEVSTJZSA-O	00000000101000100101000001000010000000000000000000000000	31-01-142936
CC(C[C@H](c1nnc2n1CC[N@H+](CC2)Cc1cc2c(s1)cccc2)NC(=O)c1ccco1)C	PC-id_42168611,GD-id_ZINC11788135	464.603	YXZAPIPJPMDJPW-HXUWFJFHSA-O	00000000101000100101000001000010000000000000000000000000	31-01-142937
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N#Cc1c(NC(=O)/C=CC(=O)Nc2sc3c(c2C#N)CCCCC3)sc2c1CCCCC2	CoCoCo_3780066,PC-id_98479868	464.603	WGGRGSXTWNQTLV-QXMHVHEDSA-N	00000000100000000100000000000010000000000000000000000000	31-01-142939
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)OC	PC-id_20414327	464.603	OPAHHYCQYXKSOD-BYYHNAKLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142940
s1c2CCCCCc2nc1NC(=O)C(NC(=O)c1sccc1)Cc1c2c([nH]c1)cccc2	PC-id_24611825	464.603	IGEBDVDLLZXWKS-UHFFFAOYSA-N	00000000100100100101000001100010000000000000000000000000	31-01-142941
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c2ccccc2)c(=O)cc(n1)C)C#N	PC-id_4260454	464.603	YWBGZERGXZFYKR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-142942
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)cc2c1cccc2	PC-id_74780656	464.603	YXZAPIPJPMDJPW-UHFFFAOYSA-O	00000000101000100101000001000010000000000000000000000000	31-01-142943
c1(NC(=O)CSc2nnc(c3ccncc3)n2CC=C)sc2c(CCCCCC2)c1C#N	TIMTEC475112,ZINC22_20161247,PC-id_17303620,MCULE-4575642931,CoCoCo_6837952,EMOLS-id_4148704	464.606	UFQTVOHSQPHIPM-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-142944
C=CCn1c(nnc1c1cccnc1)SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	MCULE-6491275981,EMOLS-id_11820030,PC-id_16370030	464.606	JRUZSWKBXXMPRE-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-142945
C=CCn1c(nnc1c1ccncc1)SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	MCULE-1316084100,EMOLS-id_11737101,PC-id_16310104	464.606	QSPNYMKIPFTMKK-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-142946
C=CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1cccnc1	PC-id_41105512,CoCoCo_4173957,ZINC22_9516796	464.606	JRUZSWKBXXMPRE-OAHLLOKOSA-N	00000000100000101101100000000010000000000000000000000000	31-01-142947
C=CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1cccnc1	ZINC22_9516795,CoCoCo_4173958,PC-id_41105511	464.606	JRUZSWKBXXMPRE-HNNXBMFYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-142948
C=CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccncc1	CoCoCo_4173955,PC-id_25731572,ZINC22_13164502	464.606	QSPNYMKIPFTMKK-OAHLLOKOSA-N	00000000100000101101100000000010000000000000000000000000	31-01-142949
C=CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccncc1	ZINC22_13164503,CoCoCo_4173956,PC-id_25731573	464.606	QSPNYMKIPFTMKK-HNNXBMFYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-142950
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cccnc1)CC=C)C#N	PC-id_20126877	464.606	NROYDBPJPNAYKP-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-142951
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ncccc1)CC=C)C#N	PC-id_20127106	464.606	XOOYIYFINHYACH-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-142952
Cc1nc(cc(n1)N1CCNCC1)Nc1ncc(s1)/C=C/C1=Cc2sc(nc2C=CC1)N	PC-id_143457157	464.61	JXLJLRRGHZCDMO-AATRIKPKSA-N	00000000100010100111100000000010000000000000000000000000	31-01-142953
CCCc1ccc(cc1[C@H]1CCCC(CC1)C/C/1=C/CCCc2n(/C=C1)nc(c2C(=O)N)N)F	SCHEMBL21319510,PC-id_139455178	464.618	IRVSNDYCBRUTEQ-CCNHCTCNSA-N	00000000100000110111100000000010000000000000000000000000	31-01-142954
O=S1(=O)CCCS(=O)(=O)c2cscc2S(=O)(=O)CCCS(=O)(=O)CCC1	PC-id_57694255,SCHEMBL12360234	464.618	GXCWICYEWYJOMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142955
Fc1ccc(cc1)CC1CCCCc2c1n(C)nc2/C=C/S(=S)(=O)NN1CCOCC1	PC-id_145479725	464.62	UDOFOQKYMPKFDV-XNTDXEJSSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142956
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(CC(C)C)C(=O)NC1=O)N)CCCOC	PC-id_76858752	464.621	FECVCLBEMZGTBW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-142957
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)Cc1c(cccc1)C)C#N	PC-id_56310765	464.623	MQFPUYIQOPZNRM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142958
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)Cc1ccc(cc1)C)C#N	PC-id_56384208	464.623	LMZYWBMFCAKFSD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142959
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)NCc1ccccc1)C)C#N	PC-id_24507268	464.623	SHFAJOBTMVWELD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-142960
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)Cc1c(cccc1)C)C)C#N	PC-id_56311646	464.623	VLQSQISCOCKEMW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142961
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)Cc1ccc(cc1)C)C)C#N	PC-id_56384451	464.623	UAICGFQLCVXLCK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-142962
C[C@@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_18533853,PC-id_27968973	464.625	UZYOGDPBJIGKGZ-CYBMUJFWSA-N	00000000100000101100000000000010000000000000000000000000	31-01-142963
C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_18533857,PC-id_27968975	464.625	UZYOGDPBJIGKGZ-ZDUSSCGKSA-N	00000000100000101100000000000010000000000000000000000000	31-01-142964
N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCCCC2	CoCoCo_3574117,ZINC22_37227789,PC-id_2461871,MCULE-1773615933,EMOLS-id_3135789	464.625	ZPKSOGFNCGMXLZ-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-142965
N#Cc1c(NC(=O)C(Sc2ccc(cn2)S(=O)(=O)N(C)C)C)sc2c1CCCCC2	EMOLS-id_35684189,PC-id_24500009,MCULE-2791819120	464.625	UZYOGDPBJIGKGZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-142966
O=C(C1CCCCC1)NCCc1nnc2n1CCN(CC2)Cc1cnc(s1)c1ccccc1	ChEMBL-DNDi_CHEMBL22065027,CoCoCo_1226577,EMOLS-id_20468731,CoCoCo_1226576,MCULE-6046127485,PC-id_28953657	464.626	XIRUTIAKFOTEKD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-142967
c1(CCc2c3-c(cc2)ccc(cc3)C)c2-c(c(Cc3c4-c(cc3)ccc(cc4)C)c1)ccc(cc2)C	PC-id_10647842	464.639	XSGXIOWYFIUPJK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142968
c1(sc2c(CCCCCCCCCC2)c1C(=O)N)NS(=O)(=O)c1ccc(cc1)OCC	PC-id_1767110,EMOLS-id_4148724,MCULE-5861283596,CoCoCo_5810608,ZINC22_2112218,TIMTEC510632,SPECS-id_AK-968/41171295	464.641	VTIUEDXVKWLTDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142969
Cc1cc/c(=NC(=O)c2cc3CCCCCc3s2)/n(c1)C(=O)c1cc2CCCCCc2s1	TIMTEC472573,CoCoCo_6846179,EMOLS-id_46460799,ZINC22_20356910,PC-id_17249030	464.643	UCUUATMRMHKOFU-SOYKGTTHSA-N	00000000100000101100000000000010000000000000000000000000	31-01-142970
Cc1cc/c(=N/C(=O)c2cc3c(s2)CCCCC3)/n(c1)C(=O)c1cc2c(s1)CCCCC2	CoCoCo_6846180	464.643	UCUUATMRMHKOFU-PNHLSOANSA-N	00000000100000101100000000000010000000000000000000000000	31-01-142971
C=C/C=C/NC(=O)/C(=Cc1[nH]c2c(c1C)C(=O)N(CCC2)CCN1CCCCC1)/C(=C(C)C)C	PC-id_145511752	464.643	UQLJLJZMCXOJQF-HIPZXEFHSA-N	00000000100010000100000000000010000000000000000000000000	31-01-142972
n1(cc(C)ccc1=NC(=O)c1cc2c(CCCCC2)s1)C(=O)c1cc2c(CCCCC2)s1	MCULE-5769609031	464.643	UCUUATMRMHKOFU-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-142973
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(Cc2ccccc2)cccc1)C(=O)OCC	PC-id_20167966	464.643	NLZAVFIPHVAOJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142974
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccccc1)c1ccccc1)C(=O)OCC	PC-id_19651988	464.643	KYFBAHNYYSWGKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142975
s1c2c(CCCCC2)c(c1NC(=S)N(Cc1ccccc1)c1ccccc1)C(=O)OCC	PC-id_19678452	464.643	CDZOYURTIPYXIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142976
s1c2c(CCCCC2)c(c1NC(=S)N(Cc1ccccc1)Cc1ccccc1)C(=O)OC	PC-id_19653559	464.643	IXWVTINERKWMJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142977
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(c2ccccc2)cccc1)C(=O)OCC	PC-id_19711824	464.643	DOBHGVXUVPKTDJ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-142978
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(Cc2ccccc2)cccc1)C(=O)OC	PC-id_20167959	464.643	JUMMEBOIEPOEHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142979
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_19651981	464.643	MRKKOQYQFWCMLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142980
s1c2c(CCCCCC2)c(c1NC(=S)N(Cc1ccccc1)c1ccccc1)C(=O)OC	PC-id_19678445	464.643	IYPZKLFTDYTRQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-142981
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)C(C)C)C(=O)OCC	PC-id_19717450	464.644	RGZUHHWAEUDENK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142982
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)CCC)C(=O)OCC	PC-id_19717343	464.644	ZJLFUQPUQILBNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142983
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)C(C)C)C(=O)OC	PC-id_17298644	464.644	KICBHZIKTFJYDM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142984
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(C)C)CCC)C(=O)OC	PC-id_19717298	464.644	JZYUYZMPIIENNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-142985
CC(c1ccc(c2-c(c1)c(C)cc2CC(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C)C)C	PC-id_102392524	464.684	JCXCDWPUEITXCV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-142986
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s1c2c(CCCCCC2)c(c1NC(=S)NC1CCCCCCCCCCC1)C(=O)OC	PC-id_19652533	464.727	ZOFRLXYTALXDPY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-142988
s1c(NC(=S)NC2CCC(C(CC)(C)C)CC2)c(c2c1CCCCCC2)C(=O)OCC	PC-id_20180021	464.727	VGWMFNRNRGUFBL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-142989
c1(CN(c2ccc(cc2)Cl)C(=O)Nc2ccc(c(Cl)c2)Cl)nnc2CCCCCn12	PC-id_1046033,MCULE-3723251932,ZINC22_720350,CoCoCo_1967138,EMOLS-id_6784431,TIMTEC279950	464.775	LBVYHFOFQQNAAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142990
CCOC(=O)CONC(=O)Cc1ccc2-c(cc1)c(c(c2OC(=O)OCC)N)OC(=O)OCC	PC-id_88126177,SCHEMBL7310610	478.449	IFZRPJYQCYASQP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-146917
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)Cl)C(=O)Nc1ccc(c(Cl)c1)Cl	PC-id_4752009,ZINC22_16769293,MCULE-5315447804	464.775	BCFRFKYHYNKSMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142991
n1c2CCCCCn2nc1CN(c1ccc(cc1)Cl)C(=O)Nc1ccc(c(Cl)c1)Cl	PC-id_16458665,CoCoCo_6600933,MCULE-3946376525,ZINC22_28527540	464.775	CRKWRVDWWXRTAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142992
[n+]1(CC(=O)c2ccc(c(Cl)c2)Cl)c2CCCCCn2c(CNc2ccc(cc2)Cl)n1	CoCoCo_6270884,MCULE-4824970183,ZINC22_27526115,PC-id_34883361	464.795	VYRJOMDBNQTKNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142993
[n+]1(CC(=O)c2ccc(Cl)cc2)c2CCCCCn2c(CNc2ccc(c(Cl)c2)Cl)n1	PC-id_33699416,ZINC22_26442166,MCULE-3847293181,CoCoCo_5792705	464.795	SWHYVOOWMQQISW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-142994
c1(c(CCCCCCCCCCC)cc2-c1cccc(c2)C(C)C)CCCCCCCCCC	PC-id_19815789	464.808	OKIXGOMZQWJDMZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-142995
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COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cn4cc(Cl)ccc4n2)CCC3)cc1	EMOLS-id_313782175,ZINC22_1565556622	464.904	XSMPTGWKUZVEPA-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-142998
Clc1c(C2=NOC(C2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(F)ccc1	PC-id_19489616	464.937	NTOIFUULRYUSOI-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-142999
Clc1cccc(/C=C/C(=O)N2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1	CoCoCo_1544832,EMOLS-id_26017855,PC-id_25296439,ZINC22_12457450,CoCoCo_1544831	464.947	RUCWEGUHHFGWAB-VQHVLOKHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143000
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)C(=O)C=Cc1cccc(Cl)c1	MCULE-3019281281,PC-id_74417272	464.947	RUCWEGUHHFGWAB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143001
ClC1=CCC2C(C1)C(=O)N(C2=O)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_6737737	464.962	BYUVDCKYTPUBRC-UHFFFAOYSA-N	00000010100011000100000000000110000000000000000000000000	31-01-143002
Clc1ncccc1C(=O)OC(C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)CC	PC-id_24000208	464.962	IIBMWTBLWZYWGF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-143003
Clc1ncccc1C(=O)OC(C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C	PC-id_23773998	464.962	LGRCNKVJBFRITH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-143004
Clc1ncccc1C(=O)OC(C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC)CC	PC-id_23860598	464.962	VLLKJPLMNOCDHX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-143005
Clc1nccc(C(=O)OC(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)CC)c1	PC-id_23745122	464.962	ARBGBYNDHZWHQM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-143006
Clc1nccc(C(=O)OC(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)CC)c1	PC-id_23774296	464.962	YJOKWOPRJIWZGX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-143007
Clc1nccc(C(=O)OC(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)C)c1	PC-id_24027634	464.962	MNPDHOWFKSWEPB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-143008
Clc1ccc(cc1)NC(=O)Nc1sc2c(c1C(=O)N)CCN(CC2)C(=O)OC(C)(C)C	SCHEMBL17006357,PC-id_118307314	464.966	VQPQCVBOCLHSGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143009
Clc1c(C[NH+]2CCn3c(nnc3CCNC(=O)C3OCCC3)CC2)ccc(OC)c1OC	PC-id_74784641	464.966	ASRSEFAMCKLRMH-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-143010
Clc1c(C[NH+]2CCn3c(nnc3CCNC(=O)[C@H]3OCCC3)CC2)ccc(OC)c1OC	PC-id_42237258	464.966	ASRSEFAMCKLRMH-KRWDZBQOSA-O	00000010100000110101000000000010000000000000000000000000	31-01-143011
Clc1c(C[NH+]2CCn3c(nnc3CCNC(=O)[C@@H]3OCCC3)CC2)ccc(OC)c1OC	PC-id_42237261	464.966	ASRSEFAMCKLRMH-QGZVFWFLSA-O	00000010100000110101000000000010000000000000000000000000	31-01-143012
O=C(Nc1sc2c(c1C(=O)N)CCCN(C2)C(=O)OC(C)(C)C)Nc1ccc(cc1)Cl	PC-id_118318306,SCHEMBL17018774	464.966	XOPVFKAQZZMOFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143013
CCCS1(=O)=Nc2c(C(=NC1=N)NC(=O)C(C)(C)C)[nH]c(=O)n2Cc1ccc(cc1)Cl	SCHEMBL19134089	464.969	PVVLBSRYCOLKOA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-143014
N#CC(c1nnc2n1CCCCC2)C(=O)c1sc2c(c1)c(nn2Cc1ccccc1Cl)C	PC-id_112772625	464.97	KXQVYKWKBLNMDK-UHFFFAOYSA-N	00000000100000110101000100000010000000000000000000000000	31-01-143015
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(CC(=Cc3ccccc3)Cl)CCn12	PC-id_45204006,MCULE-6343741913	464.99	QYZCJEQIPZENJN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143016
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2	CoCoCo_1337894,ZINC22_20993051,CoCoCo_1337896	464.99	QYZCJEQIPZENJN-OWFGXHLJSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143017
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C/C(=C/c1ccccc1)/Cl)CC2	ZINC22_20993047,CoCoCo_1337892,CoCoCo_1337890	464.99	QYZCJEQIPZENJN-VUHHOQONSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143018
CC(C)C(NC(=O)c1ccccn1)c1nnc2CCN(C/C(=C/c3ccccc3)/Cl)CCn12	EMOLS-id_26003689	464.99	QYZCJEQIPZENJN-SILNSSARSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143019
Cl/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1337891,CoCoCo_1337889	464.99	QYZCJEQIPZENJN-VVMUCNELSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143020
Cl/C(=C/c1ccccc1)/CN1CCc2n(CC1)c(nn2)[C@H](C(C)C)NC(=O)c1ccccn1	CoCoCo_1337895,CoCoCo_1337893	464.99	QYZCJEQIPZENJN-UEAVEIDSSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143021
ClC(=Cc1ccccc1)CN1CCn2c(nnc2CC1)[C@H](NC(=O)c1ncccc1)C(C)C	PC-id_29253970	464.99	QYZCJEQIPZENJN-HSZRJFAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143022
ClC(=Cc1ccccc1)CN1CCn2c(nnc2CC1)[C@@H](NC(=O)c1ncccc1)C(C)C	PC-id_29253973	464.99	QYZCJEQIPZENJN-QHCPKHFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143023
Clc1cc(N)c(NC(=C)[C@@H](NC(=O)c2sc3c([C@@H](OC)CN(CC3)C)c2)COC)cc1	PC-id_70281903,SCHEMBL8126301	465.009	ANUBULWBJOUFCT-OALUTQOASA-N	00000000100000110100000000000010000000000000000000000000	31-01-143024
Clc1cc(N)c(NC(=C)C(NC(=O)c2sc3c(C(OC)CN(CC3)C)c2)COC)cc1	PC-id_77810624	465.009	ANUBULWBJOUFCT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143025
CC(C)(C)C(=O)NC(=C)SC1=C(CCCc2c1nc(s2)Nc1c(ccc(c1)Cl)O)N	SCHEMBL13884600,PC-id_89193575	465.032	HABXHYJBYXPKPX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-143026
Clc1ccc(C2(O)CCN(CC2)CCCCN2CCSc3sc(cc3C2=O)C)cc1	PC-id_19881068,SCHEMBL9042159	465.072	CFNKEYRMOKWTII-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-143027
CC(C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155061991	465.098	WPACURZRVLHZII-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143028
CC(C)C(C(=O)CC1CC2=CN(CCNC(=O)C1=O)N=N2)NS(=O)(=O)C3=CC=C(C=C3)F	PC-id_161349915	465.148	VNUHRPCWHHISDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143029
CC(C)C(C(=O)CC1CC2=NN(CCNC(=O)C1=O)N=C2)NS(=O)(=O)C3=CC=C(C=C3)F	PC-id_161885756	465.148	YDMAEOQYOIODQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143030
CC(C)C(C(=O)CC1CN2C=C(CCNC(=O)C1=O)N=N2)NS(=O)(=O)C3=CC=C(C=C3)F	PC-id_147743531	465.148	HAUNHRRWFDYNSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143031
Cc1cc(cc(c1)C(F)(F)F)COC(=O)N1CCCn2c(cc(n2)C(=O)N2CCNCC2)C1	PC-id_164053414	465.199	WANGVIJGFQMZEL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143032
CC(C)C(C(=O)CC1CC2=NC(=CS2)CCCCNC(=O)C1=O)NC(=O)OCC(C)(C)C	PC-id_160404474	465.23	QFUAFQPZWSLZRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143033
CC(C)C(C(=O)CC1CC2=NSC(=C2)CCCCNC(=O)C1=O)NC(=O)OCC(C)(C)C	PC-id_146980685	465.23	AOGCEWRLBMWCSS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143034
CC(C)C(C(=O)CC1CCC2=C(CCCNC(=O)C1=O)C=NS2)NC(=O)OCC(C)(C)C	PC-id_161218236	465.23	UXDUTOOFZYRKRL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143035
CC(C)C(C(=O)CC1CCC2=C(CCCNC(=O)C1=O)SC=N2)NC(=O)OCC(C)(C)C	PC-id_161986634	465.23	YQJFMMLCEQAWFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143036
CC1=NN2CCNCCCC(=O)N[C@@H](C(=O)N[C@H](C2=N1)CC(C)C)CC3=CNC4=CC=CC=C43	PC-id_165419916	465.285	UKYYZPMTUAUCGU-FCHUYYIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-143037
Ic1ccc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1	PC-id_46802780	465.331	ONNPDXUUGZHKNJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143038
Ic1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cccc1	PC-id_46449516	465.331	KXTUTAXTAARXAB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143039
Brc1c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)c(F)cc(F)c1	CoCoCo_3538129,EMOLS-id_16800533,PC-id_25515108,MCULE-2017072080	465.333	HCCWIVPNSBPMOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143040
Brc1cc(F)c(C(=O)OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)cc1	PC-id_55425196	465.336	PTCBVSAYYXRUND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143041
COc1ccc(cc1)Cn1ncc2c1N(CCC(C2=O)Br)Cc1cccc(c1)C#N	PC-id_117701558,SCHEMBL16242663	465.342	QJWUQKZDZPMMKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143042
C1CN(Cc2cc(nn2C1)CC(=O)O)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90461702,SCHEMBL16101223	465.346	XZICOLAPANKNGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143043
C1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_86345630,SCHEMBL16094524	465.346	VSGXTXZOZGSSRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143044
CC1CN(Cc2cc(nn2C1)C(=O)O)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_86345712,SCHEMBL16099611	465.346	KAEKLDNGUBGYQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143045
CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC(=O)N1CCCn2c(C1)cc(n2)C(=O)O	PC-id_86345667,SCHEMBL16094523	465.346	QVBGVLJJXRMXNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143046
COC(=O)c1cnc2n1CCN(CC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16103193,PC-id_86345834	465.346	JMSAQLJLXMJCCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143047
COC(=O)C1CN(Cc2n(C1)ncc2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_117616684,SCHEMBL16129886	465.346	JWQBMDBYOVPMRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143048
C1CN(CC2=CC(=C(N)N=O)NN2C1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460820	465.35	YGNRCZZKWXIPEZ-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-143049
C1CN(Cc2cc(nn2C1)/C(=NO)/N)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16100130,SCHEMBL16129740,PC-id_136638962	465.35	AJKFNDBMZXNINX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143050
Brc1c(NC(=O)CNC(=O)COC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_27938742	465.361	LIDUEDKRTPRWOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143051
C1CCC(CC1)NC(=O)c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16100713,PC-id_86345797	465.373	KQOVKBFLNNRURG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143052
CC1CCN(CC1)C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl	SCHEMBL16100458,PC-id_86345798	465.373	IIXBXWIATSPFPO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143053
O=C(NCCc1nnc2n1CCCCC2)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	MCULE-9376697287,EMOLS-id_32005090,ZINC22_58166856,PC-id_47048265	465.376	PMAJUIUULGLGEK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143054
Clc1c(NC(=O)CN(CC(=O)Nc2sc3CCCCCc3c2C#N)C)c(Cl)ccc1	PC-id_4824909	465.396	CBHJXFJPWCIOKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143055
Brc1ccc(COc2ccc(/C=N/c3sc4CCCCCc4c3C#N)cc2)cc1	PC-id_56695581	465.405	AOXUARCDFPPFOI-JFLMPSFJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143056
Brc1ccc(COc2ccc(C=Nc3sc4CCCCCc4c3C#N)cc2)cc1	PC-id_76396783	465.405	AOXUARCDFPPFOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143057
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)N(C(=O)NO)OC	SCHEMBL7304141,PC-id_88125391	465.411	OKLFTDRNCPIDDW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-143058
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccco1)Nc1sc2c(CCCCCC2)c1C#N	EMOLS-id_4466642,ZINC22_2328277,MCULE-5182921686,PC-id_1942988,STOCK2S-89568,CoCoCo_6890715,SPECS-id_AG-389/41044256	465.413	NJIPAOKTFMNRNW-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-143059
O=C(c1n(C)cc2c1OC[C@@H](NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1F)C(F)F)F	SCHEMBL18352954	465.419	SCAVYLUXWFWOKA-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143060
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1F)C(F)F)F	PC-id_140762593	465.419	SCAVYLUXWFWOKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143061
Brc1sc2c(c1)C(=O)N(CCC2)CCCC[NH+]1CCN(CC1)c1ncccn1	GLL_PC-id_9825681	465.43	NQNMGWOKDHMJFC-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-143062
C[C@H](C(F)(F)F)N1CCCCc2c(S1(=O)=O)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18357730	465.437	QYIFFPVWKYCOKH-LLVKDONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143063
c1(NC(=O)CCCOc2ccc(cc2Br)C(C)(C)C)sc2c(CCCCC2)n1	EMOLS-id_334605176,MCULE-4789713027	465.447	RHSLMCWPXZGTRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143064
COC(=O)[C@](NC(=O)Cc1ccccc1)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	ZINC22_22079600	465.489	MPCNKEWYGAOUIV-NRFANRHFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143082
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)COS(=O)(=O)C)Nc1ccc(c(c1)F)F	PC-id_140762739	465.449	WASDGSKKSYUKMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143065
FC(F)(F)c1cc(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)CN2CCCC2=O)ccc1	PC-id_55714362	465.469	ABIDAKWZLLBIKF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143066
Cn1ccc(n1)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353482	465.474	SVZWWKZWRHBEIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143067
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)(C)Cc1cncn1C)Nc1ccc(c(c1)F)F	SCHEMBL18353488	465.474	IYURXUXKNLWRPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143068
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)(C)Cc1nccn1C)Nc1ccc(c(c1)F)F	SCHEMBL18352809	465.474	ZNDWQLGFRYWTEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143069
C1CC1NC(=O)c1c(ccc(c1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580199,SCHEMBL14965822	465.477	RNYWBXAKGHWEKN-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-143070
Fc1cccc(c1)C(=O)NCc1nnc2CCN(CCn12)C(=O)CCc1ccc2OCOc2c1	PC-id_42189414,EMOLS-id_20469529,CoCoCo_1227799,ZINC22_11813127,MCULE-1847509112	465.477	KJIMMNOILQFBQY-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-143071
OCCCN1COCN(c2c(C1=O)n(Cc1ccc(cc1)F)c(n2)Oc1ccc(cc1)C#N)C	PC-id_144762135	465.477	OCWXJHOAZZANGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143072
O=C(c1nn2c(c1)CN(CCC2)S(=O)(=O)c1ccccc1[N+](=O)[O-])NOC1CCCCO1	PC-id_58465654,SCHEMBL2523852	465.48	RPXYSYWGIICPBF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143073
CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)OC)CCCCC2)NC(=O)N(C)C	EMOLS-id_4406738,MCULE-6543941072,ChEMBL-DNDi_CHEMBL3448-6639,STOCK1S-75222,TIMTEC197907,PC-id_3629684	465.487	HOUUXZAGRZMRMD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-143074
CCOC(=O)[C@](NC(=O)N(C)C)(Nc1sc2c(c1C(=O)OC)CCCCC2)C(F)(F)F	ZINC22_9330834,CoCoCo_1743480,PC-id_41020851	465.487	HOUUXZAGRZMRMD-GOSISDBHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-143075
CCOC(=O)[C@@](NC(=O)N(C)C)(Nc1sc2c(c1C(=O)OC)CCCCC2)C(F)(F)F	ZINC22_9330836,PC-id_41020852,CoCoCo_1743481	465.487	HOUUXZAGRZMRMD-SFHVURJKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-143076
CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)c1ccccc1	MCULE-4285570182,SPECS-id_AG-389/14049008,EMOLS-id_4411506,STOCK1S-83816,PC-id_5128774	465.489	OVMXHDFUNCJKKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143077
CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	CoCoCo_6890128,ZINC22_2050118,PC-id_1716547	465.489	OVMXHDFUNCJKKV-NRFANRHFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143078
CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	ZINC22_2050119,PC-id_1716548,CoCoCo_6890127	465.489	OVMXHDFUNCJKKV-OAQYLSRUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143079
C(C(=O)OC)(NC(=O)Cc1ccccc1)(C(F)(F)F)Nc1sc2c(CCCCC2)c1C#N	PC-id_145916391,MCULE-7292233727,EMOLS-id_330316378	465.489	MPCNKEWYGAOUIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143080
COC(=O)[C@@](NC(=O)Cc1ccccc1)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	ZINC22_22079598	465.489	MPCNKEWYGAOUIV-OAQYLSRUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143081
Fc1ccc(cc1)NS(=O)(=O)CCCc1cc(c2-c1ccc(cc2)C(C)C)S(=O)(=O)O	PC-id_139608187	465.558	YSZHUFDOIAIAEM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-143188
FC(Oc1ccccc1S(=O)(=O)N1Cc2nccn2CCC[C@H]1Cc1ccccc1)(F)F	SCHEMBL14732893,PC-id_71277457	465.489	NDFSKPCVKFXHID-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143083
S(=O)(=O)(N1C(CCCn2c(ncc2)C1)Cc1ccccc1)c1c(OC(F)(F)F)cccc1	PC-id_78047646	465.489	NDFSKPCVKFXHID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143084
Fc1cc(C=C2c3n(nc(c3CCCC2)C(=O)NC(Cc2ccc(F)cc2)C(=O)O)C)ccc1	PC-id_77579849	465.492	BFDCWTZGWJPFNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143085
Fc1cc(/C=C/c3n(nc(c3CCCC2)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)C)ccc1	PC-id_68957340,SCHEMBL4211155	465.492	BFDCWTZGWJPFNO-MKRMIXIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143086
Fc1cc(C=C2c3n(nc(c3CCCC2)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)C)ccc1	PC-id_68957341,SCHEMBL4211156	465.492	BFDCWTZGWJPFNO-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143087
Fc1cc(/C=C/c3n(nc(c3CCCC2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)C)ccc1	PC-id_68962413,SCHEMBL4221966	465.492	BFDCWTZGWJPFNO-CAVPUYEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143088
Fc1cc(C=C2c3n(nc(c3CCCC2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)C)ccc1	SCHEMBL4221968,PC-id_68962415	465.492	BFDCWTZGWJPFNO-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143089
FC(F)(F)c1ccccc1CN1CCc2nnc(CNS(=O)(=O)c3ccccc3)n2CC1	ZINC22_20919944,PC-id_29219783,EMOLS-id_20543713,CoCoCo_1334407,MCULE-5581716441,CoCoCo_1334406	465.492	UYDULSNUBIBHBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143090
FC(F)(F)c1cccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)c1	ZINC22_20204934,CoCoCo_1207271,CoCoCo_1207270,PC-id_28734007,EMOLS-id_20455063,MCULE-6305318228	465.492	UWKSMUGEDUZQDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143091
F[C@@H]1C[C@H](N(C1)C(=O)Cc1cc(c2-c1ccccc2)C(=O)N)C(=O)NCc1cccc(c1F)C	SCHEMBL18826370	465.492	ZVQBHRXTFSGBNC-GCJKJVERSA-N	00000010100000110110000000000010000000000000000000000000	31-01-143092
c12C(=O)N(CCCn1nc(C(=O)N1CCN(CC1)c1ccccc1F)c2)Cc1ccc(cc1)F	PC-id_53086341,MCULE-7295176235,EMOLS-id_32632824	465.495	JWMLDSIWURUXEW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-143093
c12C(=O)N(CCCn1nc(C(=O)N1CCN(CC1)c1ccccc1F)c2)Cc1cccc(F)c1	MCULE-7939085012,EMOLS-id_32632902,PC-id_53086354	465.495	GFVFKUAPEJHGOM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-143094
CC(C(C(=O)NC1Cc2ccc(o2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138730483,SCHEMBL21109638	465.495	IODXZWKNJNOCOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143095
CC(C(C(=O)NC1Cc2ncn(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138730620,SCHEMBL21109775	465.498	DTCDRRMQUKMWNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143096
CC(C(C(=O)NC1Cn2cnc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21109233,PC-id_138730082	465.498	VFUXBUXAZHPJET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143097
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1occc1)C(=O)OC	PC-id_4343838	465.5	HIEBWEAPXWLLFE-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-143098
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(CCn12)C(=O)c1ccc(cc1)C(=O)OC	EMOLS-id_20600053,PC-id_45216564,MCULE-9052176056	465.502	JNKURXUDFDQKGX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143099
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(C(=O)Cc3ccc4c(OCO4)c3)CCn12	PC-id_45228238,MCULE-9933080781,EMOLS-id_20648979	465.502	PAHXLEXBMWTZIR-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-143100
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2	PC-id_42472000,ZINC22_12218326,CoCoCo_1492179	465.502	PAHXLEXBMWTZIR-JOCHJYFZSA-N	00000010101000100101000000001010000000000000000000000000	31-01-143101
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2	ZINC22_12218327,PC-id_42472001,CoCoCo_1492180	465.502	PAHXLEXBMWTZIR-QFIPXVFZSA-N	00000010101000100101000000001010000000000000000000000000	31-01-143102
CC(C)Oc1cccc(c1)NC(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14969414,PC-id_89582991	465.502	VRILIPYIIHXEJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143103
COc1cccc(c1)CCNC(=O)c1ccc(cc1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965661,PC-id_71570743	465.502	SNKIEJKMFMBHMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143104
COc1ccccc1C(=O)NCc1nnc2n1CCN(Cc1cc(OC)c3c(c1)OCO3)CC2	PC-id_42366599,CoCoCo_1172976,CoCoCo_1172977,MCULE-5110122437,EMOLS-id_20430273,ZINC22_12035308	465.502	UBANXQSPUJYPDF-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-143105
COC(=O)c1ccc(C(=O)N2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	CoCoCo_1418352,PC-id_42365160,ZINC22_12032035	465.502	JNKURXUDFDQKGX-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143106
COC(=O)c1ccc(C(=O)N2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	ZINC22_12032032,PC-id_42365158,CoCoCo_1418353	465.502	JNKURXUDFDQKGX-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143107
FC1=CCc2c(C(=C1)F)nc(s2)Nc1nc(Nc2ccc3c(c2)cn[nH]3)c2c(n1)ccs2	PC-id_142265203	465.502	DNHKFHQYTDWYMZ-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-143108
O=c1n2CCCCCc2nn1CC(=O)Nc1cc(NC(=O)COc2c(OC)cccc2)ccc1	PC-id_55886584	465.502	CXOCOKKVLVQWTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143109
COc1ccc(COC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)c(C)c1	BindingDB-id_913882,SCHEMBL17113007,PC-id_118394567	465.505	NSYSENPPXUMHGR-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-143110
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccccc3C(F)(F)F)CCn12	EMOLS-id_20530755,MCULE-6691991325,PC-id_45200503	465.512	FKULOFHZOTVXCQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143111
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2	CoCoCo_1315646,ZINC22_20908040,CoCoCo_1315644	465.512	FKULOFHZOTVXCQ-FXAWDEMLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143112
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2	CoCoCo_1315649,ZINC22_20908038,CoCoCo_1315651	465.512	FKULOFHZOTVXCQ-XLIONFOSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143113
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2	CoCoCo_1315650,ZINC22_20908044,CoCoCo_1315648	465.512	FKULOFHZOTVXCQ-PXNSSMCTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143114
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2	ZINC22_20908035,CoCoCo_1315645,CoCoCo_1315647	465.512	FKULOFHZOTVXCQ-YLJYHZDGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143115
FC(F)(F)Oc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1	PC-id_29151437,CoCoCo_1291890,EMOLS-id_20514227,CoCoCo_1291889,ZINC22_20779429,MCULE-7525782864	465.512	BWYJWGLNTAAIKY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143116
Fc1cc(C=C2CCCCc3c2n(nc3OC(=O)NC(Cc2ccc(O)cc2)CO)C)ccc1	PC-id_77157950	465.517	YPFWCJVQFQGRPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143117
Fc1cc(/C=C/2CCCCc3c2n(nc3OC(=O)NC(Cc2ccc(O)cc2)CO)C)ccc1	SCHEMBL300687,PC-id_66647645	465.517	YPFWCJVQFQGRPZ-CPNJWEJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143118
Cc1c([nH]c2c1C(=O)N(CCC2)CCN1CCCC1)C=C1c2cc(cc(c2NC1=O)NC=O)F	PC-id_86640168,SCHEMBL3135030	465.52	PLDLERLHUKGHKM-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-143119
CC(CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1)Cc1ccc2OCOc2c1	PC-id_45188570,MCULE-8859230696,EMOLS-id_20478407	465.52	KRFSBHJGWHJIAU-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-143120
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1	CoCoCo_1240450,CoCoCo_1240452,ZINC22_11870653	465.52	KRFSBHJGWHJIAU-QGZVFWFLSA-N	00000010100000110101000000001010000000000000000000000000	31-01-143121
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1	ZINC22_11870656,CoCoCo_1240451,CoCoCo_1240449	465.52	KRFSBHJGWHJIAU-KRWDZBQOSA-N	00000010100000110101000000001010000000000000000000000000	31-01-143122
Fc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)/C(=O)Nc2c(NC=O)c1	PC-id_25114925,SCHEMBL3135028	465.52	PLDLERLHUKGHKM-AQTBWJFISA-N	00000010100000100100000000001010000000000000000000000000	31-01-143123
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)Nc1ccccc1OC	BAS-00486771,ZINC22_1081670,MCULE-2436205628,PC-id_1268393,EMOLS-id_1230969,CoCoCo_81749	465.522	NYVVOHOYVALMRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143124
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)N(=O)=O)C(=O)Nc1ccc(cc1)OC	MCULE-4547373549,PC-id_1350452,ZINC22_1188289,EMOLS-id_233024418	465.522	CMSBKFZVGZQBND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143125
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(N2C(=O)CCC2=O)ccc1)C)C#N	PC-id_55420454	465.522	RVROZDKDMAXKCA-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-143126
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OCC#N)cc1)C#N	PC-id_45613987	465.522	GPNLEJSLBBOIFK-CSKARUKUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143127
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OCC#N)cc1)C#N	PC-id_75121878	465.522	GPNLEJSLBBOIFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143128
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCN1C(=O)c2c(C1=O)cccc2)C)C#N	PC-id_55418850	465.522	BDXJFLQICYHQCO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-143129
S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1OC	PC-id_55478149	465.523	SUMASGXHZUPMPD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143130
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCNC(=O)c1n[nH]c2c1cccc2)C#N	PC-id_56423408	465.525	QELVRHPVQGPKSU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-143131
C1CCc2c(CC1)sc(n2)CNc1nc(=NC2CC2)n2c(n1)/c(=C/c1c([nH]c(=O)[nH]1)O)/cn2	PC-id_136484322	465.531	PZTMZVHHQZJVRT-DHZHZOJOSA-N	00100000100000100101000000001010000000000000000000000000	31-01-143132
C1CCc2c(CC1)sc(n2)CNc1nc(=NC2CC2)n2c(n1)c(=Cc1c([nH]c(=O)[nH]1)O)cn2	PC-id_137046994	465.531	PZTMZVHHQZJVRT-UHFFFAOYSA-N	00100000100000100101000000001010000000000000000000000000	31-01-143133
O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCc4nc5CCCCCc5s4)nc23)/N1	PC-id_68336018,BindingDB_PC-id_68336018,BindingDB-id_383188,SCHEMBL12645723	465.531	MDPDMLQEIIFQRV-ZSOIEALJSA-N	00100010100000100101000001000010000000000000000000000000	31-01-143134
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1ccc(F)cc1	PC-id_16923858	465.561	IHKKQGJLRMJEFR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-143189
s1c2CCCCCc2nc1CNc1nc(NC2CC2)n2ncc(c2n1)C=C1NC(=O)NC1=O	PC-id_77483082	465.531	MDPDMLQEIIFQRV-UHFFFAOYSA-N	00100010100000100101000001000010000000000000000000000000	31-01-143135
FC(F)(F)c1c(CN2CCn3c(nnc3CC2)[C@H](NC(=O)C2CC[NH+](CC2)C)C)cccc1	PC-id_30853222	465.535	MGIFWPLUSYHJLL-MRXNPFEDSA-O	00000000100010110101000000000010000000000000000000000000	31-01-143136
FC(F)(F)c1c(CN2CCn3c(nnc3CC2)[C@@H](NC(=O)C2CC[NH+](CC2)C)C)cccc1	PC-id_30853225	465.535	MGIFWPLUSYHJLL-INIZCTEOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-143137
FC(F)(F)c1c(CN2CCn3c(nnc3CC2)C(NC(=O)C2CC[NH+](CC2)C)C)cccc1	PC-id_74610523	465.535	MGIFWPLUSYHJLL-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-143138
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)c2c(F)cccc2)c(cc1)C	PC-id_40394283	465.54	ZTHPKVMXOBCJJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143139
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)OC	PC-id_16509405	465.54	JPGFRERNMUXGBN-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-143140
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)C)cc1)C(=O)OC	PC-id_2669998	465.54	AEQQNICNXILSQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143141
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)C)ccc1)C(=O)OC	PC-id_2528395	465.54	FUWKDWMCGFWQJL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143142
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(n(c(c1)C)c1ccc(F)cc1)C)C#N	PC-id_3977419	465.54	RSDANUBANYCPTN-UHFFFAOYSA-N	00000000110000110100100000000010000000000000000000000000	31-01-143143
CCOC(=O)CNC(=O)c1cc2n(n1)CCCCC[C@@H]2NC(=O)[C@@H](NC(=O)OC(C)(C)C)C	PC-id_102529964	465.543	RLSQRBZPTKWTER-GJZGRUSLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143144
Oc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccn2C	PC-id_139750469	465.543	CEPZNEULRQRAEB-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-143145
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(cc3)OCCO)CCn12	MCULE-9065858275,PC-id_45195125,EMOLS-id_20507007	465.545	JPMICNXFVMITEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143146
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(c(OCC)c3)O)CCn12	PC-id_45195434,EMOLS-id_20508485,MCULE-4150947570	465.545	NSTCQLGMLVOYOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143147
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3cc(OC)ccc3OC)CCn12	MCULE-6609404947,PC-id_45208915,EMOLS-id_20567429	465.545	NUJQQEBQMOVPDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143148
c1(C(=O)N2CCN(CC2)C(=O)C2CC(=O)N(c3cccc(OC)c3)C2)c2CCCCCc2[nH]n1	EMOLS-id_323253434,MCULE-3715612218	465.545	IDVWPTPVFOJLNH-UHFFFAOYSA-N	00000010100010110101100000000010000000000000000000000000	31-01-143149
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccc(OCCO)c1)CC2	PC-id_42188923,CoCoCo_1226771,CoCoCo_1226772,ZINC22_11812733	465.545	ZXCAUFZIQXLWFT-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-143150
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccc(OCCO)c1)CC2	ZINC22_11812732,CoCoCo_1226770,CoCoCo_1226769,PC-id_42188921	465.545	ZXCAUFZIQXLWFT-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143151
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3cccc(OCCO)c3)CCn12	PC-id_45186404,MCULE-9605814942,EMOLS-id_20468841	465.545	ZXCAUFZIQXLWFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143152
CCOc1cccc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)c1O	ChEMBL-DNDi_CHEMBL25494878,PC-id_45190721,EMOLS-id_20487675,MCULE-6546780037	465.545	XPHGGMAWIPWHEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143153
CCOc1cccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1O	MCULE-3807409603,EMOLS-id_20458215,PC-id_26280514,ChEMBL-DNDi_CHEMBL20302051,CoCoCo_1211715,CoCoCo_1211716,ZINC22_14885842	465.545	HNJITDKICGCOKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143154
CCOc1cccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c1O	CoCoCo_1253668,CoCoCo_1253667,ZINC22_20598484,PC-id_29084706	465.545	XPHGGMAWIPWHEI-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143155
CCOc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c1O	ZINC22_20598483,CoCoCo_1253666,CoCoCo_1253665,PC-id_29084705	465.545	XPHGGMAWIPWHEI-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143156
CCOc1cc(CN2CCc3nnc(CCNC(=O)c4ccc(OC)cc4)n3CC2)ccc1O	MCULE-8088512161,CoCoCo_1373326,ZINC22_14989168,EMOLS-id_20570091,CoCoCo_1373327,PC-id_26343761	465.545	UXDIJULLXBBTBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143157
CCOc1cc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccc(OC)c4)n3CC2)ccc1O	CoCoCo_1283400,ZINC22_20775297,CoCoCo_1283401	465.545	NSTCQLGMLVOYOZ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143158
CCOc1cc(CN2CCc3nnc([C@H](C)NC(=O)c4cccc(OC)c4)n3CC2)ccc1O	CoCoCo_1283402,CoCoCo_1283403,ZINC22_20775300	465.545	NSTCQLGMLVOYOZ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143159
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cccc(OCCO)c3)CCn12	EMOLS-id_20580595,CoCoCo_1389283,PC-id_26348779,ZINC22_14993542,MCULE-2845202466,CoCoCo_1389284	465.545	ORYXZNSRHSKFCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143160
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(OC)cc3OC)CCn12	ZINC22_12280808,PC-id_42500431,MCULE-1472386019,CoCoCo_1356227,ChEMBL-DNDi_CHEMBL40314456,EMOLS-id_20558435,CoCoCo_1356226	465.545	YZQOCVLJXCTZFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143161
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(OC)c(OC)c3)CCn12	CoCoCo_1307144,PC-id_42369916,EMOLS-id_20524771,MCULE-5437203791,ZINC22_12038765,CoCoCo_1307145	465.545	IBXBOKWCQPGAHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143162
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cc(OC)ccc3OC)CCn12	ZINC22_12207457,PC-id_42464240,MCULE-5043143211,CoCoCo_1270987,EMOLS-id_20499789,CoCoCo_1270988	465.545	RBUJWCZDYLSDRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143163
COc1cc(/C=C/C(=O)NCCc2nnc3n2CCCCC3)ccc1OCc1c(C)noc1C	PC-id_98687362	465.545	GFKMHORCXRXFRN-PKNBQFBNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143164
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(OCCO)cc2)CC3)c1	CoCoCo_1281421,CoCoCo_1281422,ZINC22_11909743	465.545	JPMICNXFVMITEA-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143165
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(OCCO)cc2)CC3)c1	CoCoCo_1281423,CoCoCo_1281424,ZINC22_11909742	465.545	JPMICNXFVMITEA-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143166
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2cc(OC)ccc2OC)CC3)c1	CoCoCo_1369241,ZINC22_14987780,CoCoCo_1369242	465.545	NUJQQEBQMOVPDZ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143167
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2cc(OC)ccc2OC)CC3)c1	CoCoCo_1369244,ZINC22_14987777,CoCoCo_1369243	465.545	NUJQQEBQMOVPDZ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143168
COc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c(OC)c1	CoCoCo_1234555,ZINC22_20451660,PC-id_28955090,EMOLS-id_20474255,MCULE-8344625856,CoCoCo_1234554	465.545	PMHLQYADBPFTOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143169
COc1ccc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1	PC-id_45176909,MCULE-9198028084,EMOLS-id_20428041	465.545	CDTYFAZDXMYXHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143170
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1	PC-id_42168849,ZINC22_11788334,CoCoCo_1169844,CoCoCo_1169845	465.545	CDTYFAZDXMYXHJ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143171
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1	ZINC22_11788333,CoCoCo_1169843,CoCoCo_1169842,PC-id_42168847	465.545	CDTYFAZDXMYXHJ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143172
COc1cc(CN2CCc3n(CC2)c(nn3)C(NC(=O)c2ccccc2C)C)cc(c1O)OC	ChEMBL-DNDi_CHEMBL24116422	465.545	STIZLZGFAJAJJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143173
COc1ccc(OC)c(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1	ZINC22_23144906,PC-id_30868562,CoCoCo_1141704,CoCoCo_1141705,EMOLS-id_20407520,MCULE-3869129895	465.545	RKTWAWKVPOIWDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143174
O1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	MCULE-1143900106,EMOLS-id_25387222,PC-id_46049501	465.545	XSRXYRWPYBIROK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143175
O1C(CNC(=O)C2N(CCC2)C(=O)c2nn3c(c2)C(=O)N(CCC3)Cc2ccccc2)CCC1	PC-id_46049581	465.545	IMMANEQMHVUEFD-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143176
O(Cc1c(onc1C)C)c1c(OC)cc(C=CC(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55553443	465.545	GFKMHORCXRXFRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143177
O=C(N(C1CC1)CCC(=O)N1CCOCC1)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049648	465.545	MWRJKLSBTSBBET-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-143178
Cc1c(cc(cc1)C(=O)Nc1ncc(cc1)N1CCCC1)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478290	465.546	YSHJPUXMIXDCAV-UHFFFAOYSA-N	00000010100000111110100000000010000000000000000000000000	31-01-143179
CC(C(C(=O)NC1Cc2nnsc2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109503,PC-id_138730349	465.546	USEDGOBAKFOYQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143180
CC(C(C(=O)NC1CCc2nnsc2CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109185,PC-id_138730035	465.546	OLFOBUSPZDVFLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143181
CC(C(C(=O)NC1CCc2snnc2CNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730983,SCHEMBL21110141	465.546	JUEHZAVOIQNGQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143182
O=C(c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C)Nc1ccc(cn1)N1CCCC1	SCHEMBL13076950	465.546	YSHJPUXMIXDCAV-NDZAJKAJSA-N	00000010100000111110100000000010000000000000000000000000	31-01-143183
O=C(N1CCn2c(nnc2CNC(=O)c2ccccc2)CC1)c1ccc(cc1)c1ccc(cc1)C	PC-id_42322568	465.546	ITGKKXQFCMAHGT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143184
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CNS(=O)(=O)c1cn(nc1)C)C)C#N	PC-id_55998157	465.546	QLZZNSANLGHZBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143185
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC)NC(=O)CCCn2cc(CNC(=O)[C@@H](NC1=O)[C@@H](C)O)nn2	EMOLS-id_289964110,MCULE-4412548820	465.547	SKQQJGXIDWGQSK-VLMXICCQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143186
OCCNCCc1nn2c(c1)N(C)C(=O)[C@H](CC2)CCC(=O)c1ncn(n1)Cc1ccccc1	PC-id_145407984	465.548	GGYMSLWNOHIWQK-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-143187
S(=O)(=O)(N1C(CCC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1ccc(F)cc1	PC-id_24625287	465.561	VKABBKBCNCLCMT-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-143190
S(=O)(=O)(N1C(CCC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1c(F)cccc1	PC-id_24644260	465.561	ZCZNBMHOEBWIDL-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-143191
S(=O)(=O)(N1[C@H](CCC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1ccc(F)cc1	PC-id_30337488	465.561	VKABBKBCNCLCMT-QGZVFWFLSA-N	00000010100000110100000000000010000000000000000000000000	31-01-143192
S(=O)(=O)(N1[C@@H](CCC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1ccc(F)cc1	PC-id_30337493	465.561	VKABBKBCNCLCMT-KRWDZBQOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-143193
COc1cc(C)c(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1C	PC-id_26359736,ZINC22_15004040,ChEMBL-DNDi_CHEMBL49758406,EMOLS-id_20596635,CoCoCo_1413186,MCULE-9097281195,CoCoCo_1413187	465.563	NQCSXSHZHXKXED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143194
COc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c(C)c1C	ChEMBL-DNDi_CHEMBL34838532,PC-id_29213094,ZINC22_20909980,CoCoCo_1319997,MCULE-3638817521,EMOLS-id_20533779,CoCoCo_1319998	465.563	CBPBBFMKYDBWRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143195
N#Cc1c(NC(=O)COC(=O)C2CC(=O)N(C2)CCc2ccccc2)sc2c1CCCCC2	EMOLS-id_3403655,PC-id_4785156,MCULE-1511103487	465.565	FCKNRCDIOVRZKI-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-143196
N#Cc1c(NC(=O)COC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)sc2c1CCCCC2	CoCoCo_3062909,PC-id_41013828,ZINC22_9315679	465.565	FCKNRCDIOVRZKI-GOSISDBHSA-N	00000010100000110100000000000010000000000000000000000000	31-01-143197
N#Cc1c(NC(=O)COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)sc2c1CCCCC2	PC-id_41013830,ZINC22_9315681,CoCoCo_3062908	465.565	FCKNRCDIOVRZKI-SFHVURJKSA-N	00000010100000110100000000000010000000000000000000000000	31-01-143198
c1(csc2CCCCc12)C(=O)N1CCn2c(CC1)nnc2CNC(=O)COc1ccccc1	MCULE-1089243779,PC-id_26324177,EMOLS-id_32404364,CoCoCo_1450636,ZINC22_14963845	465.568	RJSIQNHSSDMSQR-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-143199
CCOc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nnc3n2CCCCC3)cc1	EMOLS-id_11801606,PC-id_16357099,CoCoCo_3081843,ZINC22_12567631,MCULE-6943785286	465.568	IAIZKXVJLYYJAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143200
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)CC(C)C)CC2)cc(OC)cc1	PC-id_26337140	465.568	VXLWCSBGZLYENO-OAQYLSRUSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143201
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)CC(C)C)CC2)cc(OC)cc1	PC-id_26337144	465.568	VXLWCSBGZLYENO-NRFANRHFSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143202
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ncccc3)C(C)C)CC2)ccc(OC)c1)C	PC-id_26277124	465.568	ABXZARFSFOQWOF-QHCPKHFHSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143203
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3ncccc3)C(C)C)CC2)ccc(OC)c1)C	PC-id_26277126	465.568	ABXZARFSFOQWOF-HSZRJFAPSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143204
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)CC(C)C)CC2)cc(OC)cc1	PC-id_74498004	465.568	VXLWCSBGZLYENO-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143205
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3ncccc3)C(C)C)CC2)ccc(OC)c1)C	PC-id_74494002	465.568	ABXZARFSFOQWOF-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143206
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1ccc(N2CCCC2)cc1)c1oc(cc1)COC	PC-id_42171536	465.568	ZTWFQDGNHHQTLP-UHFFFAOYSA-O	00000010101000110101100000000010000000000000000000000000	31-01-143207
S(=O)(=O)(N1CCc2c1cccc2)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55500798	465.568	ZBCMEHBLEPAKGR-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-143208
S(c1n2CCCCCc2nn1)CC(=O)N(c1c(n(CCCC)c(=O)[nH]c1=O)N)CCOC	PC-id_24371214	465.57	UDPDOFVENFDLOR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-143209
S(c1n2CCCCCc2nn1)CC(=O)N(c1c(n(CC(C)C)c(=O)[nH]c1=O)N)CCOC	PC-id_24371228	465.57	OGBZEUHTKYZUJT-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-143210
CN/N=Cc1cccc(c1)NC1=NC(=Nc2c(C1)scc2)Nc1ccc(cc1)c1cccnc1	PC-id_142265320	465.573	YVCFWZBPSWHSBO-MWLSYYOVSA-N	00000000100000111111100000000010000000000000000000000000	31-01-143211
Fc1ccc(cc1)CCc1sc2c(c1C(=O)NC(c1ccc(cc1)C(=O)O)C)CCCCC2	SCHEMBL21041311,PC-id_138670949	465.58	ZEZNSIGNAJKNCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143212
Fc1ccc(cc1)CCc1sc2c(c1C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)CCCCC2	SCHEMBL21041305,PC-id_138670944	465.58	ZEZNSIGNAJKNCU-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143213
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(OC)cc1)C(=O)OC	PC-id_41273819	465.583	RIVTWJPSJFEVLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143214
s1c2c(CCCCC2)c(c1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_41323877	465.583	WEDCIEHTHKBSJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143215
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(ccc(S(=O)(=O)NCCOC)c1)C	PC-id_31846574	465.586	VHCNSDCSHFTMHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143216
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c(OC)cc1	PC-id_24409821	465.586	OJZOWANJIKHKJL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143217
S(=O)(=O)(N1CCCC1)c1cc(n(c1)C)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_55762761	465.586	ZSMXGMPRCYBBRE-UHFFFAOYSA-N	00000010110000000100000000000010000000000000000000000000	31-01-143218
S(=O)(=O)(N1CCOCC1)c1cc(c(OC)cc1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56021464	465.586	FCUYTWUZEGVGAM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143219
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3ccc(CO)o3)CCn12	EMOLS-id_20505347,PC-id_45194750,MCULE-2224254577	465.588	ZWLTZDHQWYPZLM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143220
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3cccc(C)c3)CCn12	MCULE-9443461724,EMOLS-id_20603617,PC-id_45217444	465.588	QQBWSBYWDWGXGE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143221
C1CN(CCC1C)C(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	PC-id_46049638,MCULE-4981498388,EMOLS-id_25387964	465.588	AFYQEANHNHNBKH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143222
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(CO)o2)CC3)c1	CoCoCo_1278994,ZINC22_20601706,CoCoCo_1278995	465.588	ZWLTZDHQWYPZLM-HSZRJFAPSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143223
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(CO)o2)CC3)c1	CoCoCo_1278996,CoCoCo_1278997,ZINC22_20601707	465.588	ZWLTZDHQWYPZLM-QHCPKHFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143224
CC/C=C/1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)CCC(=O)N1CCC(CC1)O	PC-id_143188785	465.588	UPPORFVUPBLMLP-RREIPUBJSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143225
CC(C)CCNC(=O)C1CCCCN1C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25387212,MCULE-7189171505,PC-id_46049491	465.588	TWSHXKFSRJMADI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143226
CC(C)CCNC(=O)C1CCN(CC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-9138735628,EMOLS-id_25386820,PC-id_46049498	465.588	ZZQJHYLBEQJWMT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143227
CC(C)CCNC(=O)CCN(C1CC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-8875120447,EMOLS-id_25387278,PC-id_46049646	465.588	NLDHWGPLKPZUSI-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-143228
CC(C)CN(CCC(=O)N1CCCC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049613,EMOLS-id_25387096,MCULE-6628762594	465.588	PIKZEDSFRKJKOL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143229
CC(CCNC(=O)[C@@H]1CCCCN1C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332202	465.588	TWSHXKFSRJMADI-QFIPXVFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143230
CC(CCNC(=O)[C@H]1CCCCN1C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332203	465.588	TWSHXKFSRJMADI-JOCHJYFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143231
CC(C(C(=O)NC1CCCCC1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	MCULE-6219536876,EMOLS-id_25387710,PC-id_46049893	465.588	XOTQUFLPWCWUSV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143232
CC([C@@H](C(=O)NC1CCCCC1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332402	465.588	XOTQUFLPWCWUSV-QHCPKHFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143233
CC([C@H](C(=O)NC1CCCCC1)NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)C	PC-id_93332403	465.588	XOTQUFLPWCWUSV-HSZRJFAPSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143234
CC(CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NCC1CC1)C	EMOLS-id_25387528,MCULE-5472853914,PC-id_46049611	465.588	GLFMFLOBRDQWIR-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-143235
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cccc(C)c2)CC3)o1	CoCoCo_1423592,ZINC22_19334159,CoCoCo_1423593,PC-id_28139004	465.588	QQBWSBYWDWGXGE-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143236
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cccc(C)c2)CC3)o1	CoCoCo_1423594,ZINC22_19334154,PC-id_28139003,CoCoCo_1423595	465.588	QQBWSBYWDWGXGE-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143237
O1CCN(Cc2nc(n[nH]2)CN(CCOCCOCC1)Cc1ccccc1)Cc1ccccc1	PC-id_15048364	465.588	DYSASEGZHDSNFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143238
O(CC(=O)N(C(C)C)C(C)C)c1c(OCC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1	PC-id_27115481	465.588	RHNYJSCHZQZVJU-KGENOOAVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143239
O(CC(=O)N(C(C)C)C(C)C)c1c(OCC)cc(C=C(c2n3CCCCCc3nn2)C#N)cc1	PC-id_74519858	465.588	RHNYJSCHZQZVJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143240
O=C(N1CCCC1)CCN(C(CC)C)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049656	465.588	RDVGBNHAXFSWRL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143241
O=C(N1CCC(CC1)C)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)C(C)C	PC-id_46159901	465.588	FJNKOQVROCCSKC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143242
O=C(N(C1CCCCC1)C)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_42854971	465.588	UDFLALGPEPALGI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143243
O=C(NC1CCCCC1)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)CC	PC-id_46049946	465.588	AGRVPZWWRLFLJK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143244
O=C(NCC1CC1)CCN(C(CC)C)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049653	465.588	MOIYKADBBHETTH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-143245
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12	EMOLS-id_20526859,PC-id_42372059,ZINC22_12041099,CoCoCo_1310220,CoCoCo_1310219,MCULE-1541780380	465.589	FGVUZPCNVWHZPI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143246
Cc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1S(=O)(=O)N1CCOCC1	ZINC22_9831905,PC-id_16295347,MCULE-5891225288,EMOLS-id_11715079,CoCoCo_3082130	465.589	WCLIEOLSXVWIMU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143247
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc2n1CCCCC2	PC-id_16291971,CoCoCo_3082122,ZINC22_9672058,MCULE-1007389603,EMOLS-id_11709467	465.589	CBTNGZMIOIDYSJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143248
CC(C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1)Sc1nnc2n1CCCCC2	PC-id_16296936,EMOLS-id_11717767,MCULE-9831190123	465.589	DMXVGLOSUQRMMJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143249
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	CoCoCo_3081385,ZINC22_9713552,PC-id_41183643	465.589	DMXVGLOSUQRMMJ-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143250
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC22_9713549,PC-id_41183642,CoCoCo_3081386	465.589	DMXVGLOSUQRMMJ-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143251
n12CCN(CCc1nnc2CNC(=O)Cc1ccccc1)CC(c1ccccc1)c1ccccc1	EMOLS-id_20501849,MCULE-4413116595,ZINC22_12211571,CoCoCo_1274104,PC-id_42467298,CoCoCo_1274105	465.589	DCFZZQSMYYOBLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143252
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCc2n1)c1cn(c(c1)C(=O)N)C	PC-id_24611840	465.589	LIFAUIZPFNCFMH-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-143253
S(=O)(=O)(N1CCOCC1)c1ccc(NC(=O)C(Sc2n3CCCCCc3nn2)C)cc1	PC-id_24371223	465.589	CNKCJMUXNDOIAN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143254
c1(NC(=O)Cc2csc(Nc3ccc(cc3)Cn3cncn3)n2)sc2c(CCCCC2)n1	MCULE-9865117762,EMOLS-id_323433877	465.594	HLKBMKPRDQTQSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143255
s1c2c(CCCCCCCCCC2)c(c1N=CC1C(=O)c2c(C1=O)cccc2)C(=O)OCC	PC-id_23796361	465.604	NBOYKQWSLVINNV-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-143256
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)/C=C/c1ccccc1	PC-id_43006939	465.608	YLPXIRYTIICIIR-OUKQBFOZSA-N	00000000100010110100000000000010000000000000000000000000	31-01-143257
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)C=Cc1ccccc1	PC-id_74852062	465.608	YLPXIRYTIICIIR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-143258
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(CCn12)C(=O)c1cccs1	MCULE-7418586474,EMOLS-id_20521917,PC-id_45198454,ChEMBL-DNDi_CHEMBL32314666	465.611	NMFSUTJLIJMFQR-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-143259
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(C(=O)c2cccs2)CC3)c1	CoCoCo_1303071,PC-id_42355542,ZINC22_12020085	465.611	NMFSUTJLIJMFQR-HXUWFJFHSA-N	00000000100100110101000000000010000000000000000000000000	31-01-143260
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(C(=O)c2cccs2)CC3)c1	PC-id_42355543,ZINC22_12020091,CoCoCo_1303072	465.611	NMFSUTJLIJMFQR-FQEVSTJZSA-N	00000000100100110101000000000010000000000000000000000000	31-01-143261
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)Nc1ncc(cc1)C)C#N	PC-id_55922443	465.611	OFZYOGGIIVLXBS-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-143262
s1c2c(CCCCC2)c(c1NC(=O)CN1C(CCCC1)CNC(=O)Nc1ccccc1)C#N	PC-id_60440139	465.611	GOZIJIBFQQFGII-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-143263
S(CC(=O)N(C1C(N(CC(C)C)C(=O)NC1=O)N)CC(C)C)c1n2CCCCCc2nn1	PC-id_74595832	465.613	XPIMHXVFVCAHPC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-143264
c1(NC(=O)C(c2ccccc2)Sc2ccccc2)sc2c(CCCCCC2)c1C(=O)OC	SPECS-id_AK-968/15252747,PC-id_4095743,MCULE-7380426079,EMOLS-id_4149539,TIMTEC471849	465.627	UBZHHDKFEDIOLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143265
COC(=O)c1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2	CoCoCo_6787478,ZINC22_2752495,PC-id_40436131	465.627	UBZHHDKFEDIOLQ-QHCPKHFHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143266
COC(=O)c1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2	ZINC22_2752494,PC-id_40436130,CoCoCo_6787477	465.627	UBZHHDKFEDIOLQ-HSZRJFAPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143267
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1ccccc1)c1ccccc1)C(=O)OCC	PC-id_5228025	465.627	IANXZSFNOZNJET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143268
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)C(=O)C1OCCC1)C(=O)OCC	PC-id_20180973	465.629	YJTLBAMBZSMEGO-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-143269
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)C(=O)C1OCCC1)C(=O)OC	PC-id_20180969	465.629	DEBNDQKUJLTEML-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-143270
c1(c2CCCCCc2sc1NC(=S)Nc1ccccc1)C(=O)Nc1ccccc1OCC	ZINC22_4065210,MCULE-6955075656,EMOLS-id_2123224,PC-id_2883974,CK1647905,CoCoCo_734980	465.631	IXWASNKSLIBMBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143271
CC1=C(CCN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)C(C)(C)CCC1	ZINC22_11908904,PC-id_42272678,ChEMBL-DNDi_CHEMBL28840713,CoCoCo_1278545,EMOLS-id_20505025,MCULE-5386045438,CoCoCo_1278544	465.631	OBTNSVHWQRWDFI-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-143272
CC1=C(CCN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)C(C)(C)CCC1	CoCoCo_1239594,ZINC22_11870167,CoCoCo_1239593,PC-id_42237362	465.631	GIDBSFQDAPCFPX-OAQYLSRUSA-N	00000000100011110101000000000010000000000000000000000000	31-01-143273
CC1=C(CCN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)C(C)(C)CCC1	CoCoCo_1239595,ZINC22_11870170,CoCoCo_1239596,PC-id_42237364	465.631	GIDBSFQDAPCFPX-NRFANRHFSA-N	00000000100011110101000000000010000000000000000000000000	31-01-143274
CC(NC(=O)COc1ccccc1)c1nnc2CCN(CCC3=C(C)CCCC3(C)C)CCn12	EMOLS-id_20477835,MCULE-3135712358,PC-id_45188428	465.631	GIDBSFQDAPCFPX-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-143275
N#Cc1c(NC(=O)[C@@H]([N@@H+]2CC[C@H](CC2)C(=O)NCc2ccccc2)C)sc2c1CCCCC2	GD-id_ZINC15032167	465.631	SHFAJOBTMVWELD-SFHVURJKSA-O	00000000100010110100000000000010000000000000000000000000	31-01-143276
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCCCC2)c1C#N)c1sccc1	PC-id_2461870	465.632	ZPKSOGFNCGMXLZ-UHFFFAOYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-143277
CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4179967,PC-id_41189046,ZINC22_9727958	465.634	JWOGDYIVTVTJSD-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143278
CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9727963,PC-id_41189049,CoCoCo_4179968	465.634	JWOGDYIVTVTJSD-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143279
CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccccc1C	CoCoCo_4184452,PC-id_41214075,ZINC22_9789258	465.634	GZIASSQEZKBSHK-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143280
CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccccc1C	PC-id_41214076,ZINC22_9789259,CoCoCo_4184453	465.634	GZIASSQEZKBSHK-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143281
N#Cc1c(NC(=O)C(Sc2nnc(n2CC)c2ccccc2C)C)sc2c1CCCCC2	PC-id_16333401,MCULE-7975361885,EMOLS-id_11772405	465.634	GZIASSQEZKBSHK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143282
N#Cc1c(NC(=O)C(Sc2nnc(n2CC)Cc2ccccc2)C)sc2c1CCCCC2	PC-id_16328740,EMOLS-id_11765061,MCULE-1794848250	465.634	JWOGDYIVTVTJSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143283
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(ccc1)C)C#N	PC-id_29345248	465.634	XXTWQIIDJMLRLE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143284
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)C)C#N	PC-id_20124905	465.634	XSGHKSWVOPPXAV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143285
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC)C#N	PC-id_17303018	465.634	RFDIRXICCAIHQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143286
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC)C#N	PC-id_17301507	465.634	WFZFDGIBVOJGIB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143287
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC)C#N	PC-id_19730023	465.634	PZKPTHAFVDMQDY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143288
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC)C#N	PC-id_19730205	465.634	XZVLZDJQEOHKNN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143289
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC)C#N	PC-id_20123590	465.634	WFTZFXMSSGQHJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143290
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)C)C#N	PC-id_20124377	465.634	VHESYRSEZKZBBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143291
c1(NC(=S)NNC(=O)c2csc(C)c2CC)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC196658,PC-id_3267748,EMOLS-id_4149563,MCULE-6839753463,CoCoCo_6799897	465.652	HNJFFCSLYPGACQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-143292
c1(NC(=S)NNC(=O)c2csc(C)c2C)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC338032,MCULE-7238295202,EMOLS-id_4149561,CoCoCo_6799951,PC-id_3274175	465.652	NOUHLQOZEQFYLS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-143293
c1(NC(=S)NNC(=O)c2csc(CC)c2)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_3274173,TIMTEC319395,CoCoCo_6799949,MCULE-9987873924,EMOLS-id_4149559	465.652	MTYGXYZLTCYUSH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-143294
CSCC[C@H](C(=O)Nc1nc2c(s1)CCCCC2)NS(=O)(=O)/C=C/c1ccccc1	GD-id_ZINC39539668	465.652	CHZBNOWKIWOJPA-FDPSAONLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143295
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3ccc(C)s3)CCn12	MCULE-4364294585,EMOLS-id_20619103,PC-id_45221089	465.654	OEMKBTBXNFBMBF-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-143296
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(C)s2)CC3)c1	CoCoCo_1446778,CoCoCo_1446779,ZINC22_14961738,PC-id_26322875	465.654	OEMKBTBXNFBMBF-QHCPKHFHSA-N	00000000100100110101000000000010000000000000000000000000	31-01-143297
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(C)s2)CC3)c1	PC-id_26322872,CoCoCo_1446776,CoCoCo_1446777,ZINC22_14961734	465.654	OEMKBTBXNFBMBF-HSZRJFAPSA-N	00000000100100110101000000000010000000000000000000000000	31-01-143298
s1c2CCCCCc2c(c1NC(=O)C(Nc1c(cc(N2CCN(CC2)CC)cc1)C)C)C#N	PC-id_55572834	465.654	AGAMIAGYJLFWAV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-143299
CCCCn1c(C)c2c(c1C)C=CC(=CC=Cc1ccc3-c(cc1)c([n+](c3C)CCCC)C)C=C2	PC-id_101522746	465.692	KETFKTLHBKDUEY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-143300
CC1=C(C(CCC1)(C)C)/C=C(C)/C=C/C=C/C(=C/[CH+]c1c2-c(c(c(ccc2C)C(C)C)C)cc1)/C	PC-id_136819242	465.732	TVIKJELKUNSMRI-MIQHYBSUSA-N	00000010100011000110000000000010000000000000000000000000	31-01-143301
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/[CH+]c1cc(c2-c1c(ccc(c2)C(C)C)C)C)/C)/C	PC-id_136694196	465.732	SAUAWVHJGLNVDJ-FHLPPCTCSA-N	00000010100011000110000000000010000000000000000000000000	31-01-143302
Clc1nccc(c1)NC(=O)c1n(C)cc2c1OCC(NS2(=O)=O)(C)Cc1noc(c1)C	SCHEMBL18352877	465.911	RKHYTYJWPBSPPD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-143303
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)Cl)c2)CC(=O)N(C)c1ccccc1	PC-id_91906893,EMOLS-id_49751109,MCULE-3875991999	465.932	SZNYDSNGMWHUHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143304
Clc1cc(C(=O)NNC(=O)c2sc3CCCCCCc3c2)cc(OC)c1OCC(=O)N	PC-id_55494481	465.95	JGYXWLUQOYUPSF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143305
Clc1ccc(Cn2c3c(CCCCCC3)c(c2C)C(=O)C(=O)Nc2cc(OC)ncc2)cc1	PC-id_53244389,SCHEMBL2009900	465.972	PDFBVWJFMSICFC-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-143306
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(CCn12)C(=O)CCc1ccccc1Cl	PC-id_26279523,MCULE-2295145743,EMOLS-id_20455639,ZINC22_14883852,CoCoCo_1208068	465.975	RBRABPYEEPJLLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143307
N1(Cc2c(cccc2)C1=O)C(Cc1ccc(cc1)Cl)C(=O)Nc1sc2c(CCCCC2)n1	MCULE-1054725084	465.995	UMYDXUGPZIITCI-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-143308
CC1CCCN(C1)S(=O)(=O)c1cc(ccc1Cl)C(=O)NCc1nnc2n1CCCCC2	MCULE-9326010495,EMOLS-id_13568436,PC-id_17479314	465.997	QUOIMLGFKUCTJP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143309
C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3nnc4n3CCCCC4)ccc2Cl)C1	PC-id_26008601,ZINC22_14245219,CoCoCo_4336654	465.997	QUOIMLGFKUCTJP-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143310
C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3nnc4n3CCCCC4)ccc2Cl)C1	ZINC22_14245218,CoCoCo_4336655,PC-id_26008600	465.997	QUOIMLGFKUCTJP-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143311
Clc1c(S(=O)(=O)N2CCCCC2)cc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_52547171	465.997	CTTKDOCGAJEPAB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143312
Cl/C(=Cc1ccccc1)/C[N@@H+]1CCc2n(CC1)c(nn2)[C@H](C(C)C)NC(=O)c1ccccn1	GD-id_ZINC12190711	465.998	QYZCJEQIPZENJN-OWFGXHLJSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143313
ClC(=Cc1ccccc1)C[NH+]1CCn2c(nnc2[C@H](NC(=O)c2ncccc2)C(C)C)CC1	PC-id_42451714	465.998	QYZCJEQIPZENJN-HSZRJFAPSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143314
ClC(=Cc1ccccc1)C[NH+]1CCn2c(nnc2[C@@H](NC(=O)c2ncccc2)C(C)C)CC1	PC-id_42451715	465.998	QYZCJEQIPZENJN-QHCPKHFHSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143315
ClC(=Cc1ccccc1)C[NH+]1CCn2c(nnc2C(NC(=O)c2ncccc2)C(C)C)CC1	PC-id_74804273	465.998	QYZCJEQIPZENJN-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143316
ClC1=Cc2[nH]c(cc2C=CC1)C(=O)NCC1CCN(CC1)Cc1cccc2c1OC(C2)(C)C	PC-id_143736398	466.015	CBLBFELZIQPWEA-UHFFFAOYSA-N	00000010100010100110000000001010000000000000000000000000	31-01-143317
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	PC-id_44324437,CHEMBL433177,BindingDB_PC-id_44324437	466.017	UDIUHELSYQQGES-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143318
Clc1c2nc(sc2ccc1)NC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_20180401	466.04	LEAKJFUCJCOVIA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-143319
Clc1c2nc(sc2ccc1)NC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_20180394	466.04	MIPQCTXMKFITIR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-143320
OC1CCN(CC1)C(=O)c1cn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl	PC-id_140700455	466.358	UANGNCDEKMAYHF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143321
C1CN(Cc2cc(nn2C1)C(=O)N1CCC(CC1)N)C(=O)OCc1cc(cc(c1)Cl)Cl	PC-id_86345968,SCHEMBL16099867	466.361	NREYNQUKKMRDKB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143322
Clc1cc(NC(=O)C2N(CCCC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1Cl	PC-id_55670008	466.361	PMVSJFXGNQOEOR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143323
CN1CCN(CC1)C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl	SCHEMBL16102890,PC-id_86345967	466.361	HAENYJUYRODAAW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143324
FC(F)(F)c1noc(NC(=O)c2ccc(CN3CCn4c(OCC3)nc([N+](=O)[O-])c4)cc2)c1	PC-id_71570885,SCHEMBL14965989	466.371	DGLQRTDPQMHTMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143325
Brc1cc(CNc2sc3c(CCCCC3)c2C(=O)OCC)c(OC(=O)C)cc1	PC-id_24024344	466.389	HAEQUIYOQPXGSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143326
Brc1cc(NC(=O)CSCC(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_60571267	466.395	AMTQYKQVYCKUBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143327
C1CCc2c(CC1)sc(c2C(=O)Nc1ccccc1OC(F)(F)F)NC(=O)C(F)(F)F	PC-id_137655791	466.397	DQJFTGFZMLQLSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143328
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)F)C(=O)Nc1ccc(OC(F)(F)F)cc1	PC-id_76329425	466.397	CFOYDZWXOFTQJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143329
Clc1c(C(=O)NC(CC(C)C)C(=O)NCCc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_55535870	466.404	BHJNMBURGAGFAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143330
CN1CCN(CC1)C(c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl)C	SCHEMBL16129789,PC-id_117616599	466.404	SYPKJQFDZVOTHV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143331
Clc1c2n(c(SC(C(=O)Nc3sc4CCCCCc4c3C#N)C)nn2)cc(Cl)c1	PC-id_55422934	466.407	RGBSIWTXJRPSGZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-143332
Brc1ccc(cc1)C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCCC2	ZINC22_2316703,EMOLS-id_4457495,TIMTEC581299,CoCoCo_1740204,PC-id_1933297,MCULE-7656465434,STOCK2S-75992	466.415	YUEJXSPMXXLRSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143333
c1(NC(=S)NC(=O)c2ccccc2Br)sc2c(CCCCCC2)c1C(=O)N	ZINC22_720365,PC-id_1046045,MCULE-1364476469,EMOLS-id_6778792,TIMTEC449982,CoCoCo_1962545	466.415	SJQXUHDHXFPVQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143334
Brc1cc(sc1)c1scc(n1)CC(=O)NCCc1n2CCCCCc2nn1	PC-id_52687993	466.418	FVRRKJBHRRZIEQ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-143335
CC(C)c1nc2c(n1Cc1cc(c(cc1)Cl)Cl)C(CCCC2)OC(C(=O)[O-])C(C)(C)C	PC-id_86761777	466.421	WVEYPJULHXRLEB-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-143336
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)NOCC(CO)O	PC-id_88125335,SCHEMBL7303764	466.439	LAGOVNCKEMRBPC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-143337
C/C=C(/C(F)(F)F)C=C(S(=O)(=O)CC)/C(=C)c1nc2=CC(=CCC=c2n1C)C(F)(F)F	PC-id_145063628	466.44	KGBSEYYNIQHTKY-RSWMVURKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-143338
OC(=O)C(Cc1ccc(cc1)OCCN(c1nc2c(o1)C=CCC=CC2)C)OCC(F)(F)F	PC-id_142134674	466.45	NMLOMIKAUFVXPX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-143339
O=C1NCC(=O)NC(CC(=O)O)C(=O)NCc2nnn(CC(=O)NC1CCCN=C(N)N)c2	PC-id_74392730	466.452	MIGSZYKLGYMIGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143340
O=C1NCC(=O)N[C@H](CC(=O)O)C(=O)NCc2nnn(CC(=O)N[C@@H]1CCCN=C(N)N)c2	PC-id_25136805	466.452	MIGSZYKLGYMIGK-GHMZBOCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143341
FC(F)(F)c1cc([N+](=O)[O-])c(N2CCC(CC2)C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24676671	466.457	WGAQFFYVHUQPBL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-143342
Cc1onc(c1)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353538	466.458	VSCWJQIQTFTNKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143343
C1CC1NC(=O)c1c(cc(cc1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89579973,SCHEMBL14965509	466.465	FHGQAMBNHGDWOW-UHFFFAOYSA-N	00100000100000111101100000000010000000000000000000000000	31-01-143344
C1CC1NC(=O)c1c(cc(cc1)c1nccc(c1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89579982,SCHEMBL14965517	466.465	SEKLYLWJLSUYGV-UHFFFAOYSA-N	00100000100000111101100000000010000000000000000000000000	31-01-143345
C1CC1NC(=O)c1c(ccc(c1)c1nc(ccc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580391,SCHEMBL14966086	466.465	QBNHEQDLDFZTNI-UHFFFAOYSA-N	00100000100000111101100000000010000000000000000000000000	31-01-143346
C1CC1NC(=O)c1c(cc(cc1)c1nc(ccc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965831,PC-id_89580207	466.465	JGINOMGCHZUMIX-UHFFFAOYSA-N	00100000100000111101100000000010000000000000000000000000	31-01-143347
C1CC1NC(=O)c1c(ccc(c1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14966145,PC-id_89580437	466.465	OBWCDCDMJWYSMU-UHFFFAOYSA-N	00100000100000111101100000000010000000000000000000000000	31-01-143348
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NCc2ccco2)n(C)nc(C(F)(F)F)c1	PC-id_35524899,CoCoCo_6453625,MCULE-1723745675,EMOLS-id_15294254,ZINC22_28227654	466.477	BWZIYIMXQLKHDB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-143349
Cc1nnc2n1CC[C@H](N(C2)S(=O)(=O)c1ccccc1OC(F)(F)F)Cc1ccccc1	SCHEMBL14933963	466.477	YTSUWFUPSYSTFF-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143350
Cc1nnc2n1CCC(N(C2)S(=O)(=O)c1ccccc1OC(F)(F)F)Cc1ccccc1	PC-id_89555588	466.477	YTSUWFUPSYSTFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143351
FC(Oc1ccccc1S(=O)(=O)N1Cc2nncn2CCC[C@H]1Cc1ccccc1)(F)F	SCHEMBL14732892,PC-id_71277456	466.477	KRFVPKRTMROTNP-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143352
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCCCCCCC)C(=O)OCC	PC-id_19651340	466.743	OMOISWPIMQXPPA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-143589
S(=O)(=O)(N1C(CCCn2c(nnc2)C1)Cc1ccccc1)c1c(OC(F)(F)F)cccc1	PC-id_78047645	466.477	KRFVPKRTMROTNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143353
CC(C(C(=O)NC1Cc2cnc(o2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21109243,PC-id_138730092	466.483	LZPFECRHFFGUAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143354
CC(C(C(=O)NC1Cc2ncc(o2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138730189,SCHEMBL21109340	466.483	HRDGDVSMSDKSDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143355
Fc1ccc(/C=C/C(=O)N2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(F)c1	ZINC22_11785721,PC-id_42165912,CoCoCo_1233363,EMOLS-id_25996111	466.483	QFRLDGMCOJNLCJ-VMPITWQZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143356
Fc1cccc(F)c1/C=C/C(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	CoCoCo_1202862,PC-id_26278039,EMOLS-id_25993941,CoCoCo_1202863,ZINC22_14882253	466.483	WRNBIRADLHPNKZ-VQHVLOKHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143357
Fc1ccc(F)c(/C=C/C(=O)N2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1	CoCoCo_1199996,PC-id_26277158,EMOLS-id_25993721,ZINC22_14881558	466.483	YZZNIVBLROOILY-XBXARRHUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143358
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)C(=O)C=Cc1ccc(cc1F)F	MCULE-1532176890,PC-id_74780316	466.483	QFRLDGMCOJNLCJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143359
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)C(=O)C=Cc1c(cccc1F)F	MCULE-2511468855,PC-id_74494087	466.483	WRNBIRADLHPNKZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143360
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)C(=O)C=Cc1cc(F)ccc1F	PC-id_74494008,MCULE-9400092408	466.483	YZZNIVBLROOILY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143361
O=C(CCc1cccnc1)NCc1nnc2n1CCN(CC2)C(=O)/C=Cc1ccc(cc1F)F	CoCoCo_1233364	466.483	QFRLDGMCOJNLCJ-YVMONPNESA-N	00000000100000111101000000000010000000000000000000000000	31-01-143362
O=C(NCc1nnc2n1CCN(CC2)C(=O)/C=Cc1cc(F)ccc1F)CCc1cccnc1	CoCoCo_1199997	466.483	YZZNIVBLROOILY-YWEYNIOJSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143363
CC(C(C(=O)NC1Cc2cnn(n2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138730672,SCHEMBL21109829	466.487	IIHWSJGMLRGIFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143364
CC(C(C(=O)NC1Cc2ncn(n2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138730231,SCHEMBL21109383	466.487	VKUAPJXLDKEAGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143365
CC(C(C(=O)NC1Cc2nnn(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138731043,SCHEMBL21110201	466.487	WUPNOEQMWCRLAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143366
CC(C(C(=O)NC1Cn2cnc(n2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21109896,PC-id_138730738	466.487	CUAKOCWUWPVRFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143367
CC(C(C(=O)NC1Cn2ncc(n2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138730740,SCHEMBL21109898	466.487	LLYVPZYWYPISDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143368
CC(C(C(=O)NC1Cn2nnc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138730748,SCHEMBL21109906	466.487	PLTBJRIWPJXBAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143369
CC(C)(C)OC(=O)NCc1nc(c2ccc(NC(=O)c3cc4c(o3)CCCNC4=O)cc2)n[nH]1	ZINC22_1875359148	466.49	WFNVNKUXMJKKKI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143370
FC(F)(F)C(=O)OC1C(c2oc(CC(CCC#C1)C(=C)C)c(c2)C(=O)OC(C)(C)C)C(=C)C	PC-id_85268815	466.49	HZDOTMPREZURGT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-143371
FC(F)(F)C(=O)OC1CC(=Cc2oc(CC(CCC#C1)C(=C)C)c(c2)C(=O)OC(C)(C)C)C	PC-id_73196947	466.49	LULFNUJDYLSMNN-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-143372
FC(F)(F)C(=O)O[C@H]1C/C(=C/c2oc(C[C@H](CCC#C1)C(=C)C)c(c2)C(=O)OC(C)(C)C)/C	PC-id_10928738	466.49	LULFNUJDYLSMNN-JCZBNBMJSA-N	00000000100000000110000000000010000000000000000000000000	31-01-143373
FC(F)(F)C(=O)O[C@H]1[C@@H](c2oc(C[C@@H](CCC#C1)C(=C)C)c(c2)C(=O)OC(C)(C)C)C(=C)C	PC-id_10790370	466.49	HZDOTMPREZURGT-BLIXFSHQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-143374
O=C1C(COn2c(N1C)cc(n2)CN1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366740	466.493	SHTKVASNRYWDML-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143375
S(=O)(=O)(NCc1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)C(F)(F)F)c1ccccc1	PC-id_42340355	466.5	UWKSMUGEDUZQDJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143376
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OC)c1)OCC)c2)Cc1ccc(cc1)F	EMOLS-id_32846246,MCULE-5954448997,PC-id_50797910	466.505	WNVOPHHJQCAPOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143377
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OC)c1)OCC)c2)Cc1cccc(F)c1	MCULE-2477797816,EMOLS-id_32633038,PC-id_53086366	466.505	OXRZHEYZQOLRCT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143378
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OCC)c1)OC)c2)Cc1ccc(cc1)F	EMOLS-id_32846244,MCULE-5230820822,PC-id_50797898	466.505	QXTBDBZUZPMGIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143379
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OCC)c1)OC)c2)Cc1cccc(F)c1	EMOLS-id_32633030,MCULE-9963806127,PC-id_53086363	466.505	JNMHLNSCLOEIKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143380
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(c(OC)c1)OC)c2)Cc1ccc(cc1)F	MCULE-3977074417,EMOLS-id_32846186,PC-id_50797944	466.505	WCHLIFOZPHFQJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143381
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(c(OC)c1)OC)c2)Cc1cccc(F)c1	EMOLS-id_32632926,MCULE-4697648919,PC-id_53086356	466.505	XRJOVLYUVLNJPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143382
Fc1cc2C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CC(=O)CN3CCOCC3)C(=O)Nc2cc1	PC-id_77953852	466.505	ZHDBCXRGQLBMFC-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-143383
Fc1cc2/C(=C/c3[nH]c4CCCN(C(=O)c4c3C)CC(=O)CN3CCOCC3)/C(=O)Nc2cc1	SCHEMBL13480252,PC-id_70917203	466.505	ZHDBCXRGQLBMFC-UNOMPAQXSA-N	00000010100010100101000000001010000000000000000000000000	31-01-143384
CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)C(=O)N/N=C(C)/C(=N/O)/C(=O)OCC	PC-id_135554278	466.508	RXBFAZWDIMXZFC-AGLMHXQDSA-N	00000000100000000100000000000010000000000000000000000000	31-01-143385
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN/C(=C(N=O)/C(=O)OCC)/C)C(=O)OCC	PC-id_19660950	466.508	ACZVDEZMSCLNKY-PTNGSMBKSA-N	00000000100000000100000000000010000000000000000000000000	31-01-143386
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NNC(=C(N=O)C(=O)OCC)C)C(=O)OCC	PC-id_73635397	466.508	ACZVDEZMSCLNKY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-143387
O1c2cc(C[NH+]3CCn4c(nnc4CNC(=O)c4c(OC)cccc4)CC3)cc(OC)c2OC1	PC-id_42366598	466.51	UBANXQSPUJYPDF-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-143388
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)N(c2c(OCC)cccc2)C(=O)C1=O)C#N	PC-id_55578770	466.51	HNLPDZCDZIFJHE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-143389
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)C#N	PC-id_27704339	466.51	MNOUNRKVMPDZCQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143390
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)C#N	PC-id_56109089	466.51	WNBLHBWGWRYUSW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-143391
FC1CN(C1)CCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	PC-id_140764776	466.511	VWAPIEYTDKVGHK-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-143392
FC1CN(C1)CCc1nn2c(c1)N(C)C(=O)[C@@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367435	466.511	VWAPIEYTDKVGHK-LJQANCHMSA-N	00001000100000110101000000000010000000000000000000000000	31-01-143393
FC1CN(C1)CCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367438	466.511	VWAPIEYTDKVGHK-IBGZPJMESA-N	00001000100000110101000000000010000000000000000000000000	31-01-143394
CC([C@@H](c1nnc2n1CC[N@H+](CC2)Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1COCC1)C	GD-id_ZINC12129728	466.52	FKULOFHZOTVXCQ-PXNSSMCTSA-O	00000010100000110101000000000010000000000000000000000000	31-01-143395
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)C3CCCCC3)CC2)cc1	PC-id_42343387	466.52	BWYJWGLNTAAIKY-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-143396
O=C(c1cc2c([nH]1)cccc2)NCCCCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21042317,PC-id_138671893	466.52	AFRYUUAXYZXBOU-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-143397
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)c1ncc(cc1)C(F)(F)F	PC-id_24488089	466.52	BHTXBCGTDRYWNV-UHFFFAOYSA-N	00000000100010101100100000000010000000000000000000000000	31-01-143398
C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2n(CC1)c(nn2)CNC(=O)c1cccc(c1)F	GD-id_ZINC11870656	466.528	KRFSBHJGWHJIAU-KRWDZBQOSA-O	00000010100000110101000000001010000000000000000000000000	31-01-143399
COc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1cco2	PC-id_139750488	466.528	KFPBCVOYPYCMMW-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-143400
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(ccc(c1)C(=O)OC)C(=O)OC	PC-id_26968578	466.528	JLZBYSDPQXGKPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143401
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3cc(OC)c(cc3OC)OC)CCn12	EMOLS-id_20420041,MCULE-1949525287,PC-id_45175066,ChEMBL-DNDi_CHEMBL14401261	466.533	AQJMZHNZUAFGHG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143402
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3c(OC)cc(cc3OC)OC)CCn12	MCULE-2459489478,PC-id_45169672,EMOLS-id_20396784	466.533	QYYHBQRFZNTWMU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143403
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)NCC(=O)N1CCN(CC1)C(=O)C	MCULE-6652166379,PC-id_46049692,EMOLS-id_25387634	466.533	BLCUNPWJORAZNB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143404
COc1cc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc(OC)c1OC	CoCoCo_1211490,CoCoCo_1211489,MCULE-1508958365,EMOLS-id_20458053,PC-id_26280459,ZINC22_14885721	466.533	UNEULVKBKFOQKU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143405
COc1cc(OC)c(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c(OC)c1	CoCoCo_1127535,CoCoCo_1127536,PC-id_42248066,ZINC22_11882035	466.533	QYYHBQRFZNTWMU-MRXNPFEDSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143406
COc1cc(OC)c(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c(OC)c1	CoCoCo_1127537,CoCoCo_1127538,ZINC22_11882036,PC-id_42248068	466.533	QYYHBQRFZNTWMU-INIZCTEOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143407
COc1cc(OC)c(OC)cc1CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1	MCULE-3574094893,PC-id_29085585,EMOLS-id_20491479,CoCoCo_1258925,CoCoCo_1258924,ZINC22_20599115	466.533	LYIZFBKBXXPBBG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143408
COc1cc(OC)c(OC)cc1CN1CCc2nnc([C@H](C)NC(=O)c3cccnc3)n2CC1	PC-id_42440009,ZINC22_12164906,CoCoCo_1158877,CoCoCo_1158876	466.533	AQJMZHNZUAFGHG-INIZCTEOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143409
COc1cc(OC)c(OC)cc1CN1CCc2nnc([C@@H](C)NC(=O)c3cccnc3)n2CC1	ZINC22_12164901,CoCoCo_1158875,PC-id_42440002,CoCoCo_1158874	466.533	AQJMZHNZUAFGHG-MRXNPFEDSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143410
n1(c2ccccc2oc1=O)CC(=O)N1CCn2c(CC1)nnc2CCNC(=O)C1CCCCC1	MCULE-9602772093,PC-id_25294839,ZINC22_12455980,EMOLS-id_20680781,CoCoCo_1540954	466.533	ASKCVKYPNHGQQY-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-143411
COC1CN(C1)Cc1cc2n(n1)CCC(C(=O)N2C)NC(=O)C(=NC=NCc1ccccc1)N	PC-id_145225061	466.536	MLKXUHGWTNAUKD-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-143412
FC(F)(F)c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C3CC[NH+](CC3)C)C)CC2)cccc1	PC-id_42320247	466.543	MGIFWPLUSYHJLL-MRXNPFEDSA-P	00000000100010110101000000000010000000000000000000000000	31-01-143413
FC(F)(F)c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C3CC[NH+](CC3)C)C)CC2)cccc1	PC-id_42320253	466.543	MGIFWPLUSYHJLL-INIZCTEOSA-P	00000000100010110101000000000010000000000000000000000000	31-01-143414
FC(F)(F)c1c(C[NH+]2CCn3c(nnc3C(NC(=O)C3CC[NH+](CC3)C)C)CC2)cccc1	PC-id_74791934	466.543	MGIFWPLUSYHJLL-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-143415
Fc1cc2/C(=C/c3[nH]c4CCCN(C[C@H](O)CN5CCCCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_71037443,SCHEMBL13967010	466.548	BERHBXYZPVPENI-RXWSAZGZSA-N	00000010100010100100000000001010000000000000000000000000	31-01-143416
Fc1cc2/C(=C/c3[nH]c4CCCN(C[C@@H](O)CN5CCCCC5)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL14212210,PC-id_71099991	466.548	BERHBXYZPVPENI-YNGKYYQNSA-N	00000010100010100100000000001010000000000000000000000000	31-01-143417
Fc1cc2/C(=C/c3[nH]c4CCCN(C[C@H](O)NC5CCCCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_71099969,SCHEMBL14212179	466.548	CPZOWWFDVZPZRO-FMTUWFKASA-N	00000010100010100100000000001010000000000000000000000000	31-01-143418
Fc1cc2C(=Cc3[nH]c4CCCN(CC(O)CN5CCCCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_77865777	466.548	BERHBXYZPVPENI-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-143419
Fc1cc2C(=Cc3[nH]c4CCCN(CC(O)NC5CCCCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_78008505	466.548	CPZOWWFDVZPZRO-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-143420
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc(c(OC)c3)F)CCn12	PC-id_45210255,EMOLS-id_20573121,MCULE-5819705906	466.551	HQZPUMMLRJZXOD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143421
COc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)ccc1F	CoCoCo_1378044,CoCoCo_1378043,ZINC22_14990561,PC-id_26345324	466.551	HQZPUMMLRJZXOD-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143422
COc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)ccc1F	ZINC22_14990559,CoCoCo_1378041,PC-id_26345321,CoCoCo_1378042	466.551	HQZPUMMLRJZXOD-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143423
CCOC(=O)c1cc2c(s1)CC=CN=C2Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O	PC-id_142402539	466.553	GEOGFGQSPXZPCN-UHFFFAOYSA-N	00000010100010100111000000000010000000000000000000000000	31-01-143424
COc1cccc(c1)C(=O)N[C@H](c1nnc2n1CC[N@@H+](CC2)Cc1cc(OC)ccc1OC)C	GD-id_ZINC14987777	466.553	NUJQQEBQMOVPDZ-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143425
O(c1cc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)ccc1)CCO	PC-id_26348778	466.553	ORYXZNSRHSKFCR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143426
O(c1cc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)ccc1OC)C	PC-id_42369915	466.553	IBXBOKWCQPGAHN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143427
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)ccc1)CCO	PC-id_42188920	466.553	ZXCAUFZIQXLWFT-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143428
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)ccc1)CCO	PC-id_42188922	466.553	ZXCAUFZIQXLWFT-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-143429
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)ccc1)CCO	PC-id_74777342	466.553	ZXCAUFZIQXLWFT-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143430
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)ccc(OC)c1)C	PC-id_42500430	466.553	YZQOCVLJXCTZFP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143431
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)cc(OC)cc1)C	PC-id_42464239	466.553	RBUJWCZDYLSDRT-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143432
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)ccc(OC)c1)C	PC-id_42192470	466.553	PMHLQYADBPFTOU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143433
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)cc(OC)cc1)C	PC-id_42381715	466.553	RKTWAWKVPOIWDV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143434
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)cccc1OCC	PC-id_42330265	466.553	XPHGGMAWIPWHEI-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143435
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)cccc1OCC	PC-id_42330271	466.553	XPHGGMAWIPWHEI-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143436
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)ccc(OC)c1)C	PC-id_42168846	466.553	CDTYFAZDXMYXHJ-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143437
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)ccc(OC)c1)C	PC-id_42168848	466.553	CDTYFAZDXMYXHJ-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143438
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)cccc1OCC	PC-id_74843752	466.553	XPHGGMAWIPWHEI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143439
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)ccc(OC)c1)C	PC-id_74780698	466.553	CDTYFAZDXMYXHJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143440
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1nn(CCOc2ccccc2)c(=O)cc1	PC-id_46656808	466.553	MUSVZCWOLVAWNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143441
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cn1c(=O)n(Cc2ccccc2)ccc1=O	PC-id_24487627	466.553	VGRDKAAGEGGJPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143442
CC(C(c1nnc2n1CCN(CC2)C(=O)c1csc(c1)C(=O)C)NC(=O)c1ccccn1)C	PC-id_45167525,ChEMBL-DNDi_CHEMBL97565547	466.556	NXQWUTQBCNHFMJ-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-143443
CCNc1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)CCc1nccn1C	SCHEMBL1770798,PC-id_58256773	466.556	DCCMCVZNPKNGPC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-143444
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCc1c(n2ncnc2nc1C)C)C)C#N	PC-id_55423654	466.556	DILOSFIRWDXYHN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-143445
COc1ccc(C(=O)C[n+]2nc(COc3cc(C)ccc3C(C)C)n3c2CCCCC3)c(F)c1	PC-id_33698919,MCULE-5067871728,CoCoCo_5791962,ZINC22_26441759	466.568	XYPHJUCCQHHBRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143446
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2c(c(c(OC)cc2)C)C)cc1	PC-id_42424414	466.571	CBPBBFMKYDBWRU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143447
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)N(C)C)c(OC)cc1)C(=O)OC	PC-id_55377161	466.571	JPMXPUFLLMDPOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143448
S(=O)(=O)(N1CCCC1)c1c(oc(c1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_55762769	466.571	LMOGXKFFRXJCMX-UHFFFAOYSA-N	00000010101000000100000000000010000000000000000000000000	31-01-143449
S(=O)(=O)(N1CCCCC1)c1oc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_55763045	466.571	RUZLGOFZNKHKDC-UHFFFAOYSA-N	00000000101010000100000000000010000000000000000000000000	31-01-143450
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1)c1oc(cc1)C(=O)OCC	PC-id_52589896	466.571	HGZMBFCHXNWKIB-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-143451
s1c2CCCCCc2c(c1NC(=O)COc1ccc(S(=O)(=O)c2ccccc2)cc1)C#N	PC-id_60459861	466.572	SACJJKYDDWZNTC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143452
C1(c2ccccc2)(CC(=O)N(C)Cc2c3CCCCCc3[nH]n2)CC(=O)N(CCCOC)C1=O	MCULE-2528714663,PC-id_45181664,EMOLS-id_20448735	466.573	OXTKXZAPKSIGDU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-143453
COCCCN1C(=O)C[C@](CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)(c2ccccc2)C1=O	CoCoCo_1198525,CoCoCo_1198523,ZINC22_11789689	466.573	OXTKXZAPKSIGDU-AREMUKBSSA-N	00000010100000110101100000000010000000000000000000000000	31-01-143454
COCCCN1C(=O)C[C@@](CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)(c2ccccc2)C1=O	ZINC22_11789688,CoCoCo_1198524,CoCoCo_1198526	466.573	OXTKXZAPKSIGDU-SANMLTNESA-N	00000010100000110101100000000010000000000000000000000000	31-01-143455
Fc1ccc(cc1)S(=O)(=O)Nc1nc(CC(=O)Nc2nc3CCCCCc3s2)cs1	MCULE-7863077837,EMOLS-id_323425885	466.573	VDYOCKGIPQMTHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143456
s1c(NC(=O)C2C3CC(C2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)NCc1cccnc1	PC-id_74579000	466.573	NUZUQBQXNZGNAY-UHFFFAOYSA-M	00000010100010101100000000000110000000000000000000000000	31-01-143457
s1c(NC(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)NCc1cccnc1	PC-id_28977509	466.573	NUZUQBQXNZGNAY-ACZWYYKOSA-M	00000010100010101100000000000110000000000000000000000000	31-01-143458
s1c(NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)NCc1cccnc1	PC-id_28977513	466.573	NUZUQBQXNZGNAY-JSJNYSNDSA-M	00000010100010101100000000000110000000000000000000000000	31-01-143459
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)NCc1cccnc1	PC-id_51706523	466.573	NUZUQBQXNZGNAY-GJJHYRHESA-M	00000010100010101100000000000110000000000000000000000000	31-01-143460
s1c(NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCC2)C(=O)NCc1cccnc1	PC-id_51706525	466.573	NUZUQBQXNZGNAY-LPWQTFTOSA-M	00000010100010101100000000000110000000000000000000000000	31-01-143461
C1Cn2cc(COC[C@@H](NC(=O)[C@@H]1Cc1ccc(cc1)c1ccccc1)Cc1ccccc1)nn2	PC-id_134828881	466.574	WSFHATRTGZNAIV-SVBPBHIXSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143462
C1Cn2c(cnn2)COC[C@@H](NC(=O)[C@@H]1Cc1ccc(cc1)c1ccccc1)Cc1ccccc1	PC-id_134828888	466.574	VFADCRLOJDACES-SVBPBHIXSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143463
O1C[C@H](NC(=O)[C@H](CCn2nnc(c2)C1)Cc1ccc(cc1)c1ccccc1)Cc1ccccc1	PC-id_71759320	466.574	WSFHATRTGZNAIV-KAYWLYCHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143464
O1C[C@@H](NC(=O)[C@H](CCn2nncc2C1)Cc1ccc(cc1)c1ccccc1)Cc1ccccc1	PC-id_71759635	466.574	VFADCRLOJDACES-SXOMAYOGSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143465
O1C[C@H](NC(=O)[C@@H](CCn2nncc2C1)Cc1ccc(cc1)c1ccccc1)Cc1ccccc1	PC-id_71760060	466.574	VFADCRLOJDACES-RRPNLBNLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143466
O1C[C@H](NC(=O)[C@H](CCn2nncc2C1)Cc1ccc(cc1)c1ccccc1)Cc1ccccc1	PC-id_71760427	466.574	VFADCRLOJDACES-KAYWLYCHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143467
O1C[C@@H](NC(=O)[C@H](CCn2nnc(c2)C1)Cc1ccc(cc1)c1ccccc1)Cc1ccccc1	PC-id_71760481	466.574	WSFHATRTGZNAIV-SXOMAYOGSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143468
O1C[C@H](NC(=O)[C@@H](CCn2nnc(c2)C1)Cc1ccc(cc1)c1ccccc1)Cc1ccccc1	PC-id_71760551	466.574	WSFHATRTGZNAIV-RRPNLBNLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143469
O=C(c1sc2c(c1)CCCCCC2)NNC(=O)c1[nH]cc(c1)S(=O)(=O)N1CCOCC1	GD-id_ZINC28083131	466.574	WXOLOXZBIUZGJL-UHFFFAOYSA-N	00000000110010000101000000000010000000000000000000000000	31-01-143470
S1(=O)(=O)C[C@H](N2N=C(CCC2=O)C(=O)NNC(=O)c2sc3CCCCCCc3c2)CC1	PC-id_35431427	466.574	MNLGZYXMCRDMNZ-CQSZACIVSA-N	00000010100011000101100000000010000000000000000000000000	31-01-143471
S1(=O)(=O)C[C@@H](N2N=C(CCC2=O)C(=O)NNC(=O)c2sc3CCCCCCc3c2)CC1	PC-id_35431433	466.574	MNLGZYXMCRDMNZ-AWEZNQCLSA-N	00000010100011000101100000000010000000000000000000000000	31-01-143472
S1(=O)(=O)CC(N2N=C(CCC2=O)C(=O)NNC(=O)c2sc3CCCCCCc3c2)CC1	PC-id_46656735	466.574	MNLGZYXMCRDMNZ-UHFFFAOYSA-N	00000010100011000101100000000010000000000000000000000000	31-01-143473
S(c1n2CCCCCc2nn1)CC(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)OCC	PC-id_29460250	466.574	KMLWLNOZBNSKNI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-143474
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3cccc(C)n3)CCn12	PC-id_45179906,EMOLS-id_20440867,MCULE-8778578480	466.576	OKASQDCUDKNVEN-UHFFFAOYSA-N	00000000101000101101000000000010000000000000000000000000	31-01-143475
c1(cn2c(CCNCC2)n1)C(=O)N1CCCNC(=O)CCC(c2ccccc2)CCNC(=O)C1	MCULE-9769535780,EMOLS-id_331110410	466.576	NANMSNMVAWTBRQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143476
Cc1ccccc1CN1CCCn2nc(cc2C1=O)C(=O)NCCC(=O)NCCN1CCCC1	EMOLS-id_25388256,PC-id_46050063,MCULE-5209400628	466.576	RTUVBZSWTNULJN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143477
Cc1cccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCCN2CCCC2)c1	EMOLS-id_25388942,PC-id_46050030,MCULE-7867711716	466.576	WPIVYZQDTLFZKR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143478
Cc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCCN2CCCC2)cc1	PC-id_46049982,EMOLS-id_25388950,MCULE-4435754799	466.576	MZRXMVJRSHZXIE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143479
CCN(CC)c1ccc(CN2CCc3nnc(CNC(=O)c4ccc(COC)o4)n3CC2)cc1	CoCoCo_1378695,MCULE-3313938799,EMOLS-id_20573543,CoCoCo_1378694,PC-id_31017780,ZINC22_23339436,ChEMBL-DNDi_CHEMBL43947352	466.576	HARKBTOAAMKZAF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143480
CN(C)CCNC(=O)C1CCN(CC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049495,MCULE-8565050222,EMOLS-id_25387062	466.576	SHMIMMXHZJJFPD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143481
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cccc(C)n2)CC3)o1	CoCoCo_1187894,ZINC22_19839872,CoCoCo_1187895	466.576	OKASQDCUDKNVEN-NRFANRHFSA-N	00000000101000101101000000000010000000000000000000000000	31-01-143482
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cccc(C)n2)CC3)o1	ZINC22_19839874,CoCoCo_1187892,CoCoCo_1187893	466.576	OKASQDCUDKNVEN-OAQYLSRUSA-N	00000000101000101101000000000010000000000000000000000000	31-01-143483
O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(C(=O)c2cn3c(n2)CCNCC3)CCCN1	ZINC22_1875242209	466.576	NANMSNMVAWTBRQ-FQEVSTJZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143484
O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(C(=O)c2cn3c(n2)CCNCC3)CCCN1	ZINC22_1875242210	466.576	NANMSNMVAWTBRQ-HXUWFJFHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143485
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCN1CCCC1)C)Cc1cc(ccc1)C	PC-id_42855103	466.576	IMCUNIZFQXSKMY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143486
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN1CCCC1)C)Cc1ccc(cc1)C	PC-id_46049958	466.576	PZXZINUCQNXYFX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143487
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN1CCCC1)C)Cc1cc(ccc1)C	PC-id_46049993	466.576	FDKXZWMGTIIXSE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143488
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN1CCCC1)C)Cc1c(cccc1)C	PC-id_46050036	466.576	XCEUHDGECOBHOB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143489
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCN1CCCC1)C)Cc1c(cccc1)C	PC-id_46050042	466.576	WLYIKLFISPCNCJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143490
O=C1N(CCCn2nc(cc12)C(=O)NCC(=O)NCCN1CCCCC1)Cc1ccc(cc1)C	PC-id_46049688	466.576	BZUJOGOKOYIJOM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143491
O=C(c1sc2c(c1)ccnc2)NCc1ccc(cc1)S(=O)(=O)c1cnc2n1CCCCC2	PC-id_68277309,SCHEMBL12467814	466.576	QHHXVANETOYZFE-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-143492
O=C(N1CCN(CC1)CC)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1c(cccc1)C)C	PC-id_42855010	466.576	CFMCWDRULQKHDO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143493
O=C(N1CCN(CC1)C)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)CC	PC-id_46049641	466.576	JAOQDPLHSWJVMY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143494
O=C(N1CCN(CC1)CC)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_46159911	466.576	PHKLRZNKAYGTQQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143495
O=C(N1CCN(CC1)CC)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)C	PC-id_46159922	466.576	RWHFOEJGHQAGGT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143496
O=C(N(C1CC1)CCC(=O)NCCN(C)C)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049644	466.576	XNAFSNUQJVBDDC-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-143497
O=C(NCCN(C)C)C1N(CCCC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049488	466.576	YLCDUKRBLJBWCY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143498
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1nc(sc1)NCc1ccccc1)C#N	PC-id_24372095	466.576	XRWQGASYYCMWPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143499
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(CC(c3ccccc3)c3ccccc3)CCn12	MCULE-3327713261,EMOLS-id_20500783,PC-id_45193711	466.577	VIJSBQORKMQLKX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143500
C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(CC(c1ccccc1)c1ccccc1)CC2	CoCoCo_1272474,CoCoCo_1272473,ZINC22_12209530	466.577	VIJSBQORKMQLKX-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143501
C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(CC(c1ccccc1)c1ccccc1)CC2	CoCoCo_1272476,ZINC22_12209537,CoCoCo_1272475	466.577	VIJSBQORKMQLKX-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143502
n12CCN(CCc1nnc2CCNC(=O)c1cccnc1)CC(c1ccccc1)c1ccccc1	CoCoCo_1170605,ZINC22_11788507,CoCoCo_1170606,EMOLS-id_20428533,MCULE-6608001397,PC-id_42169052	466.577	SUYSMGQNCAGSTN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-143503
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c1(c2CCCCCc2sc1NCc1cccc(OC)c1OC)C(=O)Nc1ccccc1OC	CoCoCo_2720530,MCULE-5807515728,PC-id_3564174,EMOLS-id_16406276	466.592	FEZAPMYQQDINAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143507
c1(c2CCCCCc2sc1NCc1cccc(OC)c1OC)C(=O)Nc1ccc(cc1)OC	PC-id_3653549,EMOLS-id_11059305,MCULE-7403247230,CoCoCo_2720536	466.592	AIFMDBXKBZSXEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143508
c1(c2CCCCCc2sc1NCc1ccc(c(OC)c1)OC)C(=O)Nc1ccc(cc1)OC	ZINC22_2909656,PC-id_5049972,EMOLS-id_11059375,MCULE-1366685766,CoCoCo_2720539	466.592	JBMIPSXLOJIPKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143509
Cc1ccc(cc1)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_44213833,GLL_PC-id_44213833	466.594	KOZMEAWLCCVPPF-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-143510
O=C(NC(C(=O)NC1Cc2nsc(c2)CCCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21109834,PC-id_138730677	466.594	QQKZAXMIYFCTDG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143511
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O=C(NC(C(=O)NC1CCCc2scc(n2)CCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21109841,PC-id_138730684	466.594	YPGMDFQUXOUBDO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143519
c1(c2CCCCCCc2sc1NC(=O)c1ccn(CC)n1)C(=O)Nc1ccccc1OCC	EMOLS-id_4150348,TIMTEC276809,PC-id_17373012,ZINC22_20215415,MCULE-1161691118,CoCoCo_6808200	466.596	KYJNJCHPFPBHRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143520
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C(=O)Nc2ccccc2O)CC1	PC-id_41139010,CoCoCo_4236926,ZINC22_9595751,CoCoCo_4236925	466.596	AFYCHUCIXNGLEE-INIZCTEOSA-N	00000000100010110100000000000010000000000000000000000000	31-01-143521
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C(=O)Nc2ccccc2O)CC1	PC-id_41139012,CoCoCo_4236928,CoCoCo_4236927,ZINC22_9595753	466.596	AFYCHUCIXNGLEE-MRXNPFEDSA-N	00000000100010110100000000000010000000000000000000000000	31-01-143522
C[C@H](Nc1ccccc1C(=O)NC[C@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4240522,ZINC22_9378855,PC-id_41042255	466.596	COVCRNIFGYANBT-DLBZAZTESA-N	00000010100000110100000000000010000000000000000000000000	31-01-143523
C[C@@H](Nc1ccccc1C(=O)NC[C@@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4240523,PC-id_41042254,ZINC22_9378854	466.596	COVCRNIFGYANBT-SJORKVTESA-N	00000010100000110100000000000010000000000000000000000000	31-01-143524
C[C@@H](Nc1ccccc1C(=O)NC[C@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41042256,ZINC22_9378856,CoCoCo_4240520	466.596	COVCRNIFGYANBT-IAGOWNOFSA-N	00000010100000110100000000000010000000000000000000000000	31-01-143525
C[C@H](Nc1ccccc1C(=O)NC[C@@H]1CCCO1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9378853,CoCoCo_4240521,PC-id_41042253	466.596	COVCRNIFGYANBT-IRXDYDNUSA-N	00000010100000110100000000000010000000000000000000000000	31-01-143526
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OCc1ccc(o1)C[N@@H+]1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1cc(C)cc(c1)C)CC(C)C	GD-id_ZINC11909011	466.596	ZWLTZDHQWYPZLM-HSZRJFAPSA-O	00000000101000110101000000000010000000000000000000000000	31-01-143530
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)C)CC(C)C)c1oc(cc1)COC	PC-id_74802668	466.596	QQBWSBYWDWGXGE-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-143531
CCCCCCCCCCCCCCCCCCOc1ccc(cc2-c1c(CC)cc2)C(C)C	PC-id_19815685,SCHEMBL9875565	466.781	BENDOOUANYXVTD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-143590
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)C)CC(C)C)c1oc(cc1)COC	PC-id_42430621	466.596	QQBWSBYWDWGXGE-QFIPXVFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-143532
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s1c2CCCCCc2cc1C(=O)N(CCCC)c1c(n(Cc2ccccc2)c(=O)[nH]c1=O)N	PC-id_24398776	466.596	HXDDCJIARZSQCF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143534
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CCN(CC1)Cc1cc2OCOc2cc1)C)C#N	PC-id_29681190	466.596	UZNSNSLZPMIABQ-QGZVFWFLSA-N	00000010100010100101000000001010000000000000000000000000	31-01-143535
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CCN(CC1)Cc1cc2OCOc2cc1)C)C#N	PC-id_29681193	466.596	UZNSNSLZPMIABQ-KRWDZBQOSA-N	00000010100010100101000000001010000000000000000000000000	31-01-143536
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)Cc1cc2OCOc2cc1)C)C#N	PC-id_24506613	466.596	UZNSNSLZPMIABQ-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-143537
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)Cc1cc(OC)ccc1)C#N	PC-id_56137343	466.596	ZZAQWRUMHNMBKB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143538
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc2OCOc2cc1)C#N	PC-id_22199730	466.596	PIQRPJMKKIBYDG-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-143539
O=C(NCc1n2CC[NH+](CC(c3ccccc3)c3ccccc3)CCc2nn1)Cc1ccccc1	PC-id_42467297	466.597	DCFZZQSMYYOBLX-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143540
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)c1ccc(cc1)C	PC-id_42372058	466.597	FGVUZPCNVWHZPI-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-143541
CC(C(c1nnc2n1CCN(CC2)C(=O)CCCc1cccs1)NC(=O)c1ccccn1)C	PC-id_45932255,ChEMBL-DNDi_CHEMBL70192073	466.599	CQMTYCXDNLJNJF-UHFFFAOYSA-N	00000000100100101101000000000010000000000000000000000000	31-01-143542
CN(c1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)CNS(=O)(=O)c1ccccc1)C	CoCoCo_1189288,CoCoCo_1189286	466.599	BXAGFUIDJXGMCJ-SREVYHEPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143543
CN(C)c1ccc(/C=C/CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1	CoCoCo_1189287,PC-id_42171942,ZINC22_11791165,CoCoCo_1189289,EMOLS-id_44851565	466.599	BXAGFUIDJXGMCJ-VOTSOKGWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143544
O=C(N(CCC[n+]1c[nH]cc1)Cc1ccc(OCC)cc1)NCCc1n2CCCCCc2nn1	PC-id_52651120	466.599	WVLFZEBLTYKKJK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-143545
S(=O)(=O)(c1ccccc1)NCc1nnc2CCN(CC=Cc3ccc(cc3)N(C)C)CCn12	MCULE-9187197560,PC-id_74781109	466.599	BXAGFUIDJXGMCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143546
S=c1n(CC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)c(n[nH]1)c1cc(ccc1)C	PC-id_43040484	466.602	QARPRSZCXAXPHY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-143547
[O-]C(=O)c1cc(c2-c1cc(ccc2)C(C)C)CCCCCCCNS(=O)(=O)c1ccccc1	GD-id_ZINC13826298	466.612	OBTKRHHPCNXTTN-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-143548
CCC1CCC(=O)c2c(N(C(=O)C1)CC)nc(n2Cc1ccc(c(c1)C)O)NC1CCCCC1	PC-id_143232022	466.616	LWDABSUUHUPHPW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143549
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1ccc(N)cc1)c1ccccc1)C(=O)OC	PC-id_23096227	466.616	ICXWXSLQEONCMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143550
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(N)ccc1)c1ccccc1)C(=O)OC	PC-id_18894628	466.616	XBOIIXBYVUICBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143551
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(Oc2ccccc2)cc1)C(=O)OCC	PC-id_20414378	466.616	HXDINGKLXMFUOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143552
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(OCc2ccccc2)cc1)C(=O)OC	PC-id_19648780	466.616	WVHJMNAJUSDZDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143553
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(Oc2ccccc2)cccc1)C(=O)OCC	PC-id_20415601	466.616	AGSCJCUOPDYFTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143554
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(Oc2ccccc2)cc1)C(=O)OC	PC-id_20414371	466.616	PLRKHQBMLRMGHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143555
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(Oc2ccccc2)cccc1)C(=O)OC	PC-id_20415594	466.616	QPEPPOKZSLLESW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143556
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1cn(c(n1)C)COCCS(C)(C)C	SCHEMBL17082682,PC-id_118370511	466.617	LFKFJMXKXCJZGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143557
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1n(cc(S(=O)(=O)N(CC)CC)c1)C	PC-id_25444277	466.617	XDHHPPDAIXOXOY-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-143558
c12C(=O)N(CCCn1nc(C(=O)NCCCN1CCN(CC1)CCC)c2)Cc1cccc(C)c1	EMOLS-id_32633216,MCULE-5856839078,PC-id_53086392	466.619	LMUMQWJUSJYWQU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143559
c1(NC(=O)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)sc2c(CCCCC2)c1C#N	PC-id_3782935,STOCK1S-64589,EMOLS-id_4400946,MCULE-4108480325,ZINC22_9183436	466.619	TUDNFUPGDCRMEE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-143560
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)C(NC(=O)c1ccc(C(C)(C)C)cc1)C	PC-id_46691985	466.619	HXVBHIQWOIYHJO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143561
CCCn1c(nnc1c1ccncc1)SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	EMOLS-id_11772393,MCULE-1409815594,PC-id_16333393	466.622	PCXGGSRUWBONHX-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-143562
CCCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccncc1	PC-id_41214068,ZINC22_9789248,CoCoCo_4180033	466.622	PCXGGSRUWBONHX-OAHLLOKOSA-N	00000000100000101101100000000010000000000000000000000000	31-01-143563
CCCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccncc1	ZINC22_9789247,CoCoCo_4180032,PC-id_41214067	466.622	PCXGGSRUWBONHX-HNNXBMFYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-143564
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)C)C#N	PC-id_20127707	466.622	KXODMXYAEASCAI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143565
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)C)C#N	PC-id_20128035	466.622	JZMPGMXBCYDLEJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143566
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC=C)C#N	PC-id_17303731	466.622	RNTORRSLIKKFFO-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-143567
O=C(NC(c1n2CC[NH+](CCC3=C(CCCC3(C)C)C)CCc2nn1)C)COc1ccccc1	PC-id_74784656	466.639	GIDBSFQDAPCFPX-UHFFFAOYSA-O	00000000100011110101000000000010000000000000000000000000	31-01-143568
O=C(NCCc1n2CC[NH+](CCC3=C(CCCC3(C)C)C)CCc2nn1)COc1ccccc1	PC-id_42272677	466.639	OBTNSVHWQRWDFI-UHFFFAOYSA-O	00000000100011110101000000000010000000000000000000000000	31-01-143569
O=C(N[C@@H](c1n2CC[NH+](CCC3=C(CCCC3(C)C)C)CCc2nn1)C)COc1ccccc1	PC-id_42237361	466.639	GIDBSFQDAPCFPX-OAQYLSRUSA-O	00000000100011110101000000000010000000000000000000000000	31-01-143570
O=C(N[C@H](c1n2CC[NH+](CCC3=C(CCCC3(C)C)C)CCc2nn1)C)COc1ccccc1	PC-id_42237363	466.639	GIDBSFQDAPCFPX-NRFANRHFSA-O	00000000100011110101000000000010000000000000000000000000	31-01-143571
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)CCc1ccc(OC)cc1)C)C#N	PC-id_56159192	466.639	JNKFKHJKQOXAJX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143572
Cc1cc(N2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)nc(C(C)C)n1	CoCoCo_4233072,ZINC22_9885598,PC-id_41260532,CoCoCo_4233074	466.642	DVQNOWAUWUCLLC-GOSISDBHSA-N	00000000100010100101100000000010000000000000000000000000	31-01-143573
Cc1cc(N2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)nc(C(C)C)n1	PC-id_41260530,CoCoCo_4233073,ZINC22_9885597,CoCoCo_4233075	466.642	DVQNOWAUWUCLLC-SFHVURJKSA-N	00000000100010100101100000000010000000000000000000000000	31-01-143574
C=CSC(=NC)Nc1ncc(cc1Oc1ccccc1)SC1=c2sccc2=NCCC1	PC-id_143648160	466.642	OIENMSRWRGDTRQ-UHFFFAOYSA-N	00000000100000111110000000000010000000000000000000000000	31-01-143575
N#Cc1c(NC(=O)C(N2CCN(CC2)c2cc(C)nc(n2)C(C)C)C)sc2c1CCCCC2	MCULE-6157800223,EMOLS-id_11825214,PC-id_16372774	466.642	DVQNOWAUWUCLLC-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-143576
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)c1nc(nc(c1)C)C(C)C)C#N	PC-id_26376718	466.642	RGKCTCCMXWJKBG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-143577
O=c1c(cc2n(c(nc2cc1CCCC)CCC)Cc1ccc(cc1)c1ccccc1)CCCC	PC-id_67942533	466.657	BEPOVNINRWGESH-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-143578
O=C1/C=C/CCc2csc(n2)[C@@H](C)NC(=O)C[C@@](CCC(C(C1)C)C)(S)C(C(=O)O)C	PC-id_143121215	466.657	HPWRLIVFOLJFMM-HSSIOUQESA-N	00000000100000000111000000000010000000000000000000000000	31-01-143579
S1CCCN(c2c1sc(c2)Cc1ccccc1)C(=O)CCNCCOc1cc(ccc1)C	PC-id_11754297	466.659	AJCPVMYGXIPEQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143580
CC1=CC(=C(C(=O)C2C1CC2)CN1CCCc2c(C1=O)c(C)c(s2)[C@@H](C1CCNCC1)C)C	PC-id_145222679	466.679	BUMNFNOQUSDVOA-OSFYOIPJSA-N	00001000100010000110001000000010000000000000000000000000	31-01-143581
s1c2c(CCCCCCCCCC2)c(C(=O)N2CCCCC2)c1NC(=O)Cc1ccccc1	PC-id_23903733	466.679	YJNVZTUFTBWVTI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-143582
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)CCC(O)CCCCC	PC-id_43904245	466.68	MXDTUHMIBOYZDS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143583
CC(C1CCC(C2C(C1)C(=C/C/2=CC=CC=Cc1cc(c2-c1c(C)cc(cc2)C(C)C)C)C)C)C	PC-id_140696340	466.74	XFWBXXIRARFTMK-XYOLVUIVSA-N	00000011100000000110000000000110000000000000000000000000	31-01-143584
s1c2c(CCCCC2)c(c1NC(=S)NCCCCCCCCCCCC)C(=O)OCC	PC-id_19651432	466.743	ZZPQNFRKXXRJRT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-143585
s1c2c(CCCCC2)c(c1NC(=S)N(CCCCCC)CCCCCC)C(=O)OCC	PC-id_19653442	466.743	GEUDKCVALZCKHL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-143586
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCCCCCCCC)C(=O)OC	PC-id_19651425	466.743	BDKBGXUNRHVTLG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-143587
s1c2c(CCCCCC2)c(c1NC(=S)N(CCCCCC)CCCCCC)C(=O)OC	PC-id_19653435	466.743	YTSLJNRENSHXIY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-143588
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C1CCc2c(CC1)sc(c2C(=O)Nc1ccccc1Cl)NC(=O)C(C(F)(F)F)(F)F	PC-id_137636824	466.853	RCQCDDJTPVTWNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143592
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COC(=O)c1c2CCCCCc2sc1NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	EMOLS-id_42587218,BindingDB_PC-id_2411726,PC-id_2411726,MCULE-7448309561,CoCoCo_3042771,ZINC22_3296110,BindingDB-id_192931	466.892	KZAAOZALALIPEY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143594
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Clc1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc(OC)c1OCC(=O)N	PC-id_52638592	466.935	PZBHAZRCMUUMTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143596
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OC(C)C)c2)Cc1ccc(cc1)Cl	PC-id_20964819,MCULE-7578476193,EMOLS-id_16324850,CoCoCo_2544655	466.96	JHKDCGUQIGKABL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143597
CC/C=CC(=C(/CN1CC=Cn2c(C1O)nnc2SCc1ccccc1Cl)C)C(F)F	PC-id_144352156	466.975	JZUWCODFVJMXHQ-QCGKHBMWSA-N	00000000100000110111000000000010000000000000000000000000	31-01-143598
CN(CCC1=C(C)n2nc(c(c2CCC(=C1C)C)S(=O)(=O)c1ccc(c(c1)Cl)F)N)C	PC-id_143972851	467	LRPUVKATYRTPKX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-143599
CC(C)c1ccc2-c(c(cc2CCCC=NNC(=S)Nc2ccc(cc2)Cl)C(=O)[O-])cc1	PC-id_91934744	467.003	RNGFXWFDRCPTKO-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-143600
C/C(=CC=C/1N(CCc2c(C1=C)nc([nH]2)C)C(=O)c1ccc(c(c1)C)CNC(=O)C(C)C)/Cl	PC-id_143188739	467.003	VUZIPGMFRRXNHK-PJWNIINKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143601
S=C(Nc1ccc(cc1)Cl)N/N=C/CCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	BindingDB_PC-id_91934744	467.003	RNGFXWFDRCPTKO-MZJWZYIUSA-M	00000010100000110110000000000010000000000000000000000000	31-01-143602
Cc1cc(c(cc1)C)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c(ccc(c1)Cl)O	PC-id_135776053	467.023	BFXBMSDELZCXEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143603
Cc1c(c(ccc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c(ccc(c1)Cl)O)C	PC-id_135814348	467.023	OHXOSAQTVMPRTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143604
CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408970066	467.023	ZQSINUXWYDEFPB-OGLMXYFKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143605
ClC1=CC(=CNc2sc3c(CCCCCC3)c2C(=O)Nc2c(c(ccc2)C)C)C(=O)C=C1	PC-id_23821216	467.023	GGBMMSGRGYZPNV-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-143606
ClC1=CC(=CNc2sc3c(CCCCCC3)c2C(=O)Nc2c(ccc(c2)C)C)C(=O)C=C1	PC-id_23986959	467.023	KBZBSVQMUQBBSV-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-143607
Clc1cc2nc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)sc2cc1	PC-id_3882789	467.024	NFGLVGWLLVALOB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-143608
CC(C)C(C(=O)CC1CC2=C(CNC(=O)C1=O)C=NS2)NS(=O)(=O)C3=CC=C(C=C3)F	PC-id_161716782	467.098	XIARCQAUHJDUEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143609
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=C[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)F	PC-id_154991313	467.123	HZLKEWVQFQYBSM-FNPLBGOPSA-N	00000000100000110111000000000010000000000000000000000000	31-01-143610
CO/C/1=C(/C/C(=C/C=C(S/C2=C/C1)C(CCC(=O)N(CC3=CC=CC=C3)O)(F)F)/F)OC	PC-id_164708077	467.138	MGDXZQSKJAOOFA-ACFDDOOJSA-N	00000000100000110110000000000010000000000000000000000000	31-01-143611
C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(C2=C(SC3=C2CCCCC3)CCC4=CC=C(C=C4)F)O	PC-id_155274265	467.193	OWASJFVBPKQXKS-WFFHQLTOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143612
CC/C=C(CCCCCCCc1nnc2n1CCCCC2)/c1c(ccc(c1)C(F)(F)F)Cl	PC-id_164004853	467.232	UMCVEBODWFQAFI-YBFXNURJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143613
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)CC2CC3=CN=C(N3)CCCCNC(=O)C2=O	PC-id_160204055	467.242	PHCUMNFDGOZTJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143614
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)CC2CC3=NN(CCCCNC(=O)C2=O)C=C3	PC-id_160839534	467.242	SHVONNIYJJFIFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143615
CN(C1CC(C1)CS(=O)(=O)CC2CCCCC(CC2)(F)F)C3=C4C=CNC4=NC=CCC3	PC-id_146987103	467.242	APLVVOIEDRAEKI-UHFFFAOYSA-N	00001000100000000110000000000010000000000000000000000000	31-01-143616
CC1(COC2=C(SC(=C2OC1)C(C)(C)C)C(C)(C)C)COC3=CN=NN3CCOCCO	PC-id_154975770	467.245	ADFACMQKOXLREC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143617
CN1C(=O)C(CCc2c(C1=O)n(cn2)CC(=O)NCc1ccncc1)I	PC-id_134444527,SCHEMBL20079808	467.261	YNFCPGQXBNBHPS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-143618
CCCOCCc1nn2CC[C@@H](C(=O)N(c2c1)C)NC(=O)c1nn(cn1)CC1=CC=CCC1C	PC-id_163568410	467.264	FXDPYJGWXZGCKC-OZBJMMHXSA-N	00000000100011000101000000000010000000000000000000000000	31-01-143619
OC1CN(Cc2n(C1)nc(c2)C(=O)O)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16129719,PC-id_117616531	467.319	SJAIYWHSEUAHIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143620
Brc1cc(C(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cnc1	PC-id_4024414	467.334	VFDNSJFFIHPWGN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-143621
COC(=O)C[C@H]1C(=O)Nc2c(CN1C(=O)OCc1ccccc1)c(c(s2)C)Br	SCHEMBL19273937	467.334	GZIVZJMCXKESFB-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143622
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)Cl)Cl	SCHEMBL9335532,PC-id_19102882	467.344	HUCDCHHPLLWCGU-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-143623
Clc1cc2n(Cc3c(c(ccc3)c3ccccc3)C(=O)O)c(nc2cc(Cl)c1=O)CCC	PC-id_19822343	467.344	WKVZVIGOSPNXBI-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-143624
C1CN(Cc2cc(nn2C1)C(=O)N1CCC(CC1)O)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16099518,PC-id_86345592	467.346	JPQXTKFFSNVQNA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143625
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(Br)c1)c2)Cc1ccc(cc1)C	CoCoCo_2544561,MCULE-8516725128,PC-id_46347984,EMOLS-id_24406138	467.358	HTQALJGFSYLQMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143626
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(Br)c1)c2)Cc1cccc(C)c1	EMOLS-id_32633248,PC-id_53086405,MCULE-4525762415	467.358	JLCNJWNAXOABGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143627
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1Br)c2)Cc1ccc(cc1)C	PC-id_53086339,MCULE-2096448238,EMOLS-id_32632808	467.358	LXZCPAPUZDOBFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143628
FC(F)(F)c1oc(NC(=O)c2ccc(CN3CCn4c(OCC3)nc([N+](=O)[O-])c4)cc2)nn1	PC-id_71570137,SCHEMBL14965785	467.359	RWUTUAUNHIYKBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143629
Brc1c(CC(=O)NNC(=O)c2sc3CCCCCc3c2)cc(OC)c(OC)c1	PC-id_24488093	467.377	SRFXSXBMZMTUOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143630
CC(C)(C)OC(=O)N1CCc2c(n(nc2CC1)CC(F)(F)F)OS(=O)(=O)C(F)(F)F	SCHEMBL2073892,PC-id_86598379	467.384	USRUISOUWUOANX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143631
OC1CCN(CC1)C(c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl)C	PC-id_117616535,SCHEMBL16129723	467.389	BTJGKWTWORUORZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143632
[O-]C(=O)C(C(=O)[O-])(Cc1ccc(cc1)C(F)(F)F)CCCCn1cnc2c1NC=[NH+]C[C@@H]2O	GD-id_ZINC13807767	467.418	JMXRYZISHCQKQY-HNNXBMFYSA-M	00000000100000110111000000000010000000000000000000000000	31-01-143633
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Br)cc2)sc2c1CCCCCC2	ZINC22_408970117	467.421	AZMSRINJMWTYEJ-WGOQTCKBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143634
Clc1cc(Cn2c3C(OC(C(C)(C)C)C(=O)O)CCCCc3nc2C(C)C)ccc1Cl	PC-id_67434744,SCHEMBL2511813	467.428	WVEYPJULHXRLEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143635
Clc1cc(Cn2c3C(OCC(=O)OC(C)(C)C)CCCCc3nc2C(C)C)ccc1Cl	PC-id_58460215,SCHEMBL12199431	467.428	SIHBWTYOACANSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143636
FC(F)(F)c1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc(NC(=O)C2OCCC2)c1	PC-id_55782052	467.442	XLMIJZVGRGNMNK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143637
Brc1cc(c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1)CC	PC-id_19687757	467.443	ABNZWYQUAUJAIP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143638
Brc1cc(c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1)C	PC-id_20413464	467.443	QHTOKTFOWWHXSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143639
Brc1c(cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1)C	PC-id_20413540	467.443	NTOIYZPZIYJKBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143640
Brc1cc(c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1)C	PC-id_20413457	467.443	FGVZNXVXGNNHKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143641
Brc1c(cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1)C	PC-id_20413533	467.443	FWFLGCPCXYWDPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143642
Brc1ccc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_20408848	467.443	LGSVZLVAYAIXMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143643
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc(c1)C	PC-id_20411134	467.443	RPOSAAHFANKTLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143644
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc(c1)C	PC-id_20411127	467.443	PFOADUIMPRUXEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143645
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cccc1	PC-id_20409210	467.443	MTJABHIVFAEJNA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143646
c1(NC(=S)Nc2cccc(Br)c2)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4150792,TIMTEC460464,MCULE-6933970783,ZINC22_5948048,CoCoCo_6800652,PC-id_3303083	467.443	SVJNHOPWKZSHRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143647
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)c1c(OC)ccc(OC)c1	PC-id_26419384	478.625	JHHKNAAHHCFEFE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147062
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1ccc(OCC(F)(F)F)nc1)C)C#N	PC-id_55515673	467.461	NCWIWPXMGJFLTJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-143648
CC(C(C(=O)NC1Cc2nnc(o2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21110213,PC-id_138731055	467.471	WZZWSEUSBPFYRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143649
c1(C(CC(C)C)NC(=O)CCOC)nnc2CCN(CCn12)C(=O)c1c(F)ccc(F)c1F	MCULE-3526763746,EMOLS-id_20427043,PC-id_45176677	467.485	LWGSLQNUECYQMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143650
COCCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)c1c(F)ccc(F)c1F)CC2	CoCoCo_1168410,ZINC22_11787948	467.485	LWGSLQNUECYQMB-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143651
COCCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C(=O)c1c(F)ccc(F)c1F)CC2	ZINC22_11787949,CoCoCo_1168411	467.485	LWGSLQNUECYQMB-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143652
FC(F)(F)c1ccc(C(N2CCOCC2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56304592	467.485	BRIWMJWMPVUYCZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143653
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(OC)c(OC(F)F)cc1	PC-id_31846323	467.486	ASXNDEHQJCFEQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143654
CC(C)NC(=O)c1c(cc(cc1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965741,PC-id_89580139	467.493	SMRZJZFOEGZFLS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143655
CC(C)NC(=O)c1c(ccc(c1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965848,PC-id_89580220	467.493	WLHVIZFFOGZCDD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143656
COc1cc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc2c1OCO2	CoCoCo_1339785,PC-id_29254752,EMOLS-id_20547433,ZINC22_20994026,MCULE-8378954589,CoCoCo_1339784	467.493	KPJCALRQAJMMRW-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-143657
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)[C@@](NC1=O)(c1ccc([N+](=O)[O-])cc1)C)C#N	PC-id_38853958	467.498	JXRVUSNTJPAICA-QFIPXVFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-143658
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)[C@](NC1=O)(c1ccc([N+](=O)[O-])cc1)C)C#N	PC-id_38853961	467.498	JXRVUSNTJPAICA-JOCHJYFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-143659
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc([N+](=O)[O-])cc1)C)C#N	PC-id_45723520	467.498	JXRVUSNTJPAICA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-143660
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1cc([N+](=O)[O-])ccc1)C)C#N	PC-id_43075595	467.498	WMCVIIFZNXAURK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-143661
Cc1ccc(cc1)S(=O)(=O)NC=C(c1ccc2-c1ccccc2)c1ccc(cc1)C(F)(F)F	PC-id_142734102	467.503	SPAOKTHWEVYXTP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-143662
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccccc3OCC=C)CCn12	MCULE-7883479937,EMOLS-id_20400478,PC-id_45170530	467.511	RUMDTQDBESATBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143663
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(CC=Cc3ccc(cc3)OC)CCn12	PC-id_74494048,MCULE-7099033257	467.511	RWYWSTOEKANYGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143664
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(CC=Cc3ccccc3OC)CCn12	PC-id_74844423,MCULE-5326992209	467.511	IYSFOFNUKKUJJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143665
C=CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)c3cc(F)ccc3F)n2CC1	CoCoCo_1132431,CoCoCo_1132432,ZINC22_11966204,PC-id_42319536	467.511	RUMDTQDBESATBJ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143666
C=CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)c3cc(F)ccc3F)n2CC1	PC-id_42319533,CoCoCo_1132429,ZINC22_11966202,CoCoCo_1132430	467.511	RUMDTQDBESATBJ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143667
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1cc(F)ccc1F)C	CoCoCo_1201456,CoCoCo_1201454	467.511	RWYWSTOEKANYGB-CWIOURORSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143668
COc1ccc(cc1)/C=CCN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1cc(F)ccc1F)C	CoCoCo_1201460,CoCoCo_1201458	467.511	RWYWSTOEKANYGB-LIMHQNJXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143669
COc1ccccc1/C=C/CN1CCc2nnc(C(C)NC(=O)c3cc(F)ccc3F)n2CC1	EMOLS-id_26000311,PC-id_45196475,ChEMBL-DNDi_CHEMBL30497379	467.511	IYSFOFNUKKUJJH-FNORWQNLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143670
COc1ccccc1/C=C/CN1CCc2nnc([C@@H](C)NC(=O)c3cc(F)ccc3F)n2CC1	CoCoCo_1290258,ZINC22_11997570,PC-id_42342444,CoCoCo_1290256	467.511	IYSFOFNUKKUJJH-QQOXCAACSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143671
COc1ccccc1/C=C/CN1CCc2nnc([C@H](C)NC(=O)c3cc(F)ccc3F)n2CC1	PC-id_42342452,ZINC22_11997576,CoCoCo_1290262,CoCoCo_1290260	467.511	IYSFOFNUKKUJJH-UABRLCRWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143672
COc1ccccc1/C=CCN1CCn2c(CC1)nnc2[C@H](NC(=O)c1cc(F)ccc1F)C	CoCoCo_1290255,CoCoCo_1290257	467.511	IYSFOFNUKKUJJH-XTKXOIQPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143673
COc1ccccc1/C=CCN1CCn2c(CC1)nnc2[C@@H](NC(=O)c1cc(F)ccc1F)C	CoCoCo_1290259,CoCoCo_1290261	467.511	IYSFOFNUKKUJJH-WVRJYTFGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143674
COc1ccc(/C=C/CN2CCc3nnc(C(C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1	PC-id_45182155,EMOLS-id_25993823	467.511	RWYWSTOEKANYGB-ONEGZZNKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143675
COc1ccc(/C=C/CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1	CoCoCo_1201457,PC-id_26277630,ZINC22_14881924,CoCoCo_1201455	467.511	RWYWSTOEKANYGB-REMYHPOOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143676
COc1ccc(/C=C/CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1	ZINC22_14881925,CoCoCo_1201459,PC-id_26277632,CoCoCo_1201461	467.511	RWYWSTOEKANYGB-IDOMTICXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143677
O[C@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)cc2)C[N+]1=CCOCC1	PC-id_145511739	467.513	IRTZGDQBBQYNCN-KRWDZBQOSA-O	00000010100011100101000000001010000000000000000000000000	31-01-143678
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCc1oc(c2ccc(F)cc2)cn1)C#N	PC-id_42490770	467.513	JPQRQMTVPZIXJS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143679
CC(C(C(=O)NC1Cc2ncn(c2)CCNC(=O)C1O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21109774,PC-id_138730619	467.514	CRCISLFUIBLICR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143680
COCCOCCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	PC-id_140764761	467.521	PQQZHZJDPDLJME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143681
COCCOCCc1nn2c(c1)N(C)C(=O)[C@@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367388	467.521	PQQZHZJDPDLJME-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143682
COCCOCCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367391	467.521	PQQZHZJDPDLJME-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-143683
S(=O)(=O)(N1CCC(CC1)C(=O)NCCc1n2CCCCCc2nn1)c1c(F)ccc(F)c1	PC-id_55534708	467.533	JRXBRBKHIMGJJY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143684
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3cc4c(cccc4)s3)CCn12	MCULE-8974484416,PC-id_45199953,EMOLS-id_20528471,ChEMBL-DNDi_CHEMBL33708730	467.534	BRFGNUBNNFAYGR-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-143685
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	CoCoCo_1312429,PC-id_42356330,ZINC22_12021439,CoCoCo_1312430	467.534	BRFGNUBNNFAYGR-OAHLLOKOSA-N	00000000100000110101000001000010000000000000000000000000	31-01-143686
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2	CoCoCo_1312431,PC-id_42356336,CoCoCo_1312432,ZINC22_12021448	467.534	BRFGNUBNNFAYGR-HNNXBMFYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-143687
Fc1ccc(cc1)CN1CCc2c(/C(=C/c3ccccc3)/C1=O)n(cn2)COCc1ccccc1	PC-id_145970481	467.534	XVUFDUGANUXRBP-ONUIUJJFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143688
CCOc1cc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)ccc1OC	PC-id_26341897,CoCoCo_1576174,MCULE-5325258833,ZINC22_14987335,CoCoCo_1576175,EMOLS-id_20703919	467.536	QGJKFQDAZPAYBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143689
COc1c(ccc(c1C)OC)CN1CCc2n(CC1)c(nn2)CCNC(=O)c1ccc(cc1)F	CoCoCo_1141114,PC-id_30868333,CoCoCo_1141113	467.536	GPBVLOLFMPTITA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143690
COc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)c(OC)c1C	ZINC22_14887775,PC-id_26281771,CoCoCo_1214509,EMOLS-id_20460251,MCULE-2120906844,CoCoCo_1214508	467.536	YBGSGJCKGRXJCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143691
n12CCN(CCc1nnc2CCNC(=O)Cc1ccc(cc1)F)Cc1ccc(cc1)OCCO	EMOLS-id_20559303,CoCoCo_1357507,ZINC22_12281127,MCULE-3049715833,CoCoCo_1357508,PC-id_42500622	467.536	JBKAVOLWVMMPPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143692
n12CCN(CCc1nnc2CCNC(=O)Cc1ccc(cc1)F)Cc1cccc(OCCO)c1	MCULE-2324702052,ZINC22_14992950,PC-id_26348118,CoCoCo_1387107,CoCoCo_1387106,ChEMBL-DNDi_CHEMBL45370329,EMOLS-id_20579133	467.536	WPQWTUGMSNODEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143693
s1c2CCCCCc2cc1C(=O)OCC(=O)c1c(n(Cc2ccccc2)c(=O)n(c1=O)C)N	PC-id_16509416	467.537	KDBMGHPAGSEDEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143694
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(cc1)c1[nH]ccn1)C)C(=O)OC	PC-id_23944074	467.537	YFZVTZJAIQGLCA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143695
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)c1[nH]ccn1)C(=O)OCC	PC-id_23859920	467.537	YVGUYFTYBDJPHG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143696
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)c1[nH]ccn1)C(=O)OC	PC-id_23971689	467.537	KWSNMEHKJNOZPD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143697
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3cccnc3)CC2)cc(OC)c(OC)c1)C	PC-id_42365945	467.541	LYIZFBKBXXPBBG-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143698
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)C)CC2)cc(OC)c(OC)c1)C	PC-id_42440001	467.541	AQJMZHNZUAFGHG-MRXNPFEDSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143699
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)C)CC2)cc(OC)c(OC)c1)C	PC-id_42440008	467.541	AQJMZHNZUAFGHG-INIZCTEOSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143700
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)C)CC2)c(OC)cc(OC)c1)C	PC-id_42248065	467.541	QYYHBQRFZNTWMU-MRXNPFEDSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143701
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)C)CC2)c(OC)cc(OC)c1)C	PC-id_42248067	467.541	QYYHBQRFZNTWMU-INIZCTEOSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143702
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)cc(OC)c(OC)c1)C	PC-id_74803633	467.541	AQJMZHNZUAFGHG-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143703
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)c(OC)cc(OC)c1)C	PC-id_74786035	467.541	QYYHBQRFZNTWMU-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143704
CSOC/C=C/c1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL19659540	467.544	NJECLKQEEPJLOG-RMKNXTFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143705
CON(C(=O)C(Cc1c[nH]c2c1C=C(C=CC2)OCc1ccccc1)NC(=O)OC(C)(C)C)C	PC-id_141995324	467.557	GGZVFZGCSMFQCX-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-143706
O1C(Cc2ccccc2)COCCOCCOCC(OCc2nc([nH]n2)C1)Cc1ccccc1	PC-id_21779728	467.557	ZVXNFFMFNMLQRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143707
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)CC(C)C)CC2)cc1	PC-id_26345320	467.559	HQZPUMMLRJZXOD-OAQYLSRUSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143708
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)CC(C)C)CC2)cc1	PC-id_26345323	467.559	HQZPUMMLRJZXOD-NRFANRHFSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143709
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)CC(C)C)CC2)cc1	PC-id_74498859	467.559	HQZPUMMLRJZXOD-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143710
S1(=O)(=O)C[C@H](N2N=C(CCC2=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)CC1	PC-id_52598437	467.559	BNSXUZIPHLDXHD-GFCCVEGCSA-N	00000010100011000101100000000010000000000000000000000000	31-01-143711
S1(=O)(=O)C[C@@H](N2N=C(CCC2=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)CC1	PC-id_52598438	467.559	BNSXUZIPHLDXHD-LBPRGKRZSA-N	00000010100011000101100000000010000000000000000000000000	31-01-143712
S1(=O)(=O)CC(N2N=C(CCC2=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)CC1	PC-id_75878077	467.559	BNSXUZIPHLDXHD-UHFFFAOYSA-N	00000010100011000101100000000010000000000000000000000000	31-01-143713
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3ccccc3O)CCn12	EMOLS-id_20501783,MCULE-2061519147,PC-id_45193955	467.561	OTROSWWOSMWTOF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143714
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3c(cccc3OC)OC)CCn12	PC-id_45202831,MCULE-7069686481,EMOLS-id_20540849,ChEMBL-DNDi_CHEMBL36366047	467.561	DFSMCDVSKBUJMG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143715
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(c(OC)c3)OC)CCn12	PC-id_45188328,EMOLS-id_20477411,MCULE-4797885402	467.561	MMHLLXVRQTYXFN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143716
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(c(OCC)c3)O)CCn12	ChEMBL-DNDi_CHEMBL50081356,EMOLS-id_20597751,PC-id_45215998,MCULE-6964453280	467.561	TVDCOWKPGPZJHR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143717
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(OCCO)c3)CCn12	EMOLS-id_20530131,ChEMBL-DNDi_CHEMBL34060694,MCULE-8741656265,PC-id_45200358	467.561	IXQBJMDYIJYJDS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143718
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3cc(OC)cc(OC)c3)CCn12	MCULE-9875348420,EMOLS-id_20577421,PC-id_45211284	467.561	FWMQSGNHWDBTLF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143719
C1(CNC(=O)CCN(CCOC)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1	PC-id_46049624,EMOLS-id_25387102,MCULE-5479766595	467.561	KQKJLYBPQKTUHV-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-143720
CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(OCCO)c1)CC2	PC-id_42421414,CoCoCo_1314796,ZINC22_12128464,CoCoCo_1314797	467.561	IXQBJMDYIJYJDS-NRFANRHFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143721
CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(OCCO)c1)CC2	ZINC22_12128458,CoCoCo_1314795,PC-id_42421410,CoCoCo_1314794	467.561	IXQBJMDYIJYJDS-OAQYLSRUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143722
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)CCC(=O)N1CCOCC1	MCULE-6991820225,PC-id_46049703,EMOLS-id_25387614	467.561	LAOSDOUXHPBVCD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143723
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NCC1CCCO1	MCULE-6612057169,PC-id_46049632,EMOLS-id_25387274	467.561	OUTRMJRCRMVAQP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143724
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NC[C@@H]1CCCO1	PC-id_93332226	467.561	OUTRMJRCRMVAQP-FQEVSTJZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143725
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NC[C@H]1CCCO1	PC-id_93332227	467.561	OUTRMJRCRMVAQP-HXUWFJFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143726
CCOc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)ccc1O	CoCoCo_1414745,CoCoCo_1414746,PC-id_28101176,ZINC22_19228665	467.561	TVDCOWKPGPZJHR-IBGZPJMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-143727
CCOc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)ccc1O	ZINC22_19228663,PC-id_28101174,CoCoCo_1414744,CoCoCo_1414743	467.561	TVDCOWKPGPZJHR-LJQANCHMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143728
COc1ccc(C2(C(=O)N3CCc4nnc(CNC(=O)[C@@H]5CCOC5)n4CC3)CCCC2)cc1	ZINC22_14879485	467.561	XXXNIPSRSKQJIX-GOSISDBHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-143729
COc1ccc(C2(C(=O)N3CCc4nnc(CNC(=O)[C@H]5CCOC5)n4CC3)CCCC2)cc1	ZINC22_14879486	467.561	XXXNIPSRSKQJIX-SFHVURJKSA-N	00000010100000110101100000000010000000000000000000000000	31-01-143730
COc1ccc(cc1)C1(CCCC1)C(=O)N1CCc2nnc(CNC(=O)C3CCOC3)n2CC1	PC-id_45180834,EMOLS-id_20445041,MCULE-8672856321	467.561	XXXNIPSRSKQJIX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-143731
COc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1OC	CoCoCo_1238928,ZINC22_11869750,PC-id_42237120,CoCoCo_1238929	467.561	MMHLLXVRQTYXFN-LJQANCHMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143732
COc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1OC	PC-id_42237123,CoCoCo_1238931,ZINC22_11869752,CoCoCo_1238930	467.561	MMHLLXVRQTYXFN-IBGZPJMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-143733
COc1cccc(OC)c1CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1	CoCoCo_1330382,PC-id_42438157,CoCoCo_1330381,ZINC22_12162587	467.561	DFSMCDVSKBUJMG-LJQANCHMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143734
COc1cccc(OC)c1CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1	CoCoCo_1330383,CoCoCo_1330384,PC-id_42438163,ZINC22_12162595	467.561	DFSMCDVSKBUJMG-IBGZPJMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-143735
COc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc(OC)c1	CoCoCo_1384606,CoCoCo_1384607,PC-id_26347275,ZINC22_14992260	467.561	FWMQSGNHWDBTLF-NRFANRHFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143736
COc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc(OC)c1	PC-id_26347272,CoCoCo_1384605,ZINC22_14992258,CoCoCo_1384604	467.561	FWMQSGNHWDBTLF-OAQYLSRUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143737
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccccc2O)CC3)o1	CoCoCo_1274019,PC-id_42467245,ZINC22_12211481,CoCoCo_1274020	467.561	OTROSWWOSMWTOF-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143738
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccccc2O)CC3)o1	ZINC22_12211476,CoCoCo_1274022,PC-id_42467242,CoCoCo_1274021	467.561	OTROSWWOSMWTOF-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-143739
COCCN(CCC(=O)N1CCCC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049626,EMOLS-id_25387956,MCULE-9416789548	467.561	XVWLGGSCOPBRDR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143740
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)C(=O)CCc1ccc2c(OCO2)c1	CoCoCo_1374913,EMOLS-id_20571091,PC-id_26344358,ZINC22_14989720,MCULE-4882174716	467.561	HQVURSQNTJLEHC-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-143741
O1C(CCC1)CNC(=O)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)C(C)C	PC-id_46049600	467.561	GDWASDOMMRSPSQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143742
O1CCN(CC1)C(=O)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)CC	PC-id_46049752	467.561	UZZZSNJVADOJNH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143743
O1CCN(CC1)C(=O)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1c(cccc1)C)CC	PC-id_46049782	467.561	BZUARKWBKXNJRT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143744
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1nc(sc1)c1ccc(OC)cc1)C#N	PC-id_28086623	467.561	QFBYCIQPSSFTBQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143745
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O=C(c1cccnc1)NCCc1nnc2n1CC[N@@H+](CC2)CC(c1ccccc1)c1ccccc1	PC-id_42169051,GD-id_ZINC11788507	467.585	SUYSMGQNCAGSTN-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-143814
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C)c1cccnc1	PC-id_74784819	467.585	WSVHBTAFYINTFV-UHFFFAOYSA-O	00000000100000111101100000000010000000000000000000000000	31-01-143815
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C)c1cccnc1	PC-id_42239271	467.585	WSVHBTAFYINTFV-OAQYLSRUSA-O	00000000100000111101100000000010000000000000000000000000	31-01-143816
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C)c1cccnc1	PC-id_42239273	467.585	WSVHBTAFYINTFV-NRFANRHFSA-O	00000000100000111101100000000010000000000000000000000000	31-01-143817
S(CC(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CCOC)c1n2CCCCCc2nn1	PC-id_74265855	467.586	MANQTXFVVYWTRE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-143818
S(CC(=O)N(C1C(N(CC(C)C)C(=O)NC1=O)N)CCOC)c1n2CCCCCc2nn1	PC-id_74265857	467.586	CBFNYGYGGZPMIZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-143819
COCc1cc(nc(n1)NC(CCN(C(=O)C=C)CCC)C)Nc1nc2c(s1)NC#CC=C2	PC-id_144345540	467.587	GTKVKCUOQQLEJB-UHFFFAOYSA-N	00000000100000100111000000000010000000000000000000000000	31-01-143820
CC(c1ccccc1)NS(=O)(=O)C=Cc1nn(c2c1CCCCC2Cc1cc(ccc1)F)C	PC-id_91056594	467.599	LUUNFDBNPNJRCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143821
CC(c1ccccc1)NS(=O)(=O)C=Cc1nn(c2c1CCCCC2Cc1ccc(cc1)F)C	PC-id_91616088	467.599	JGMLFEHHSMTFHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143822
Fc1cccc(c1)CC1CCCCc2c1n(C)nc2/C=C/S(=O)(=O)NC(c1ccccc1)C	PC-id_71121621,SCHEMBL14267538	467.599	LUUNFDBNPNJRCI-FOCLMDBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143823
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1sccc1	PC-id_44027193	467.625	SJHRUBDYIVCOIV-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-143899
Fc1ccc(cc1)CC1CCCCc2c1n(C)nc2/C=C/S(=O)(=O)NC(c1ccccc1)C	SCHEMBL14267700,PC-id_71121640	467.599	JGMLFEHHSMTFHO-WUKNDPDISA-N	00000000100000110101000000000010000000000000000000000000	31-01-143824
Fc1ccc(cc1)CC1CCCCc2c1n(C)nc2/C=C/S(=O)(=O)N[C@H](c1ccccc1)C	PC-id_58882505,SCHEMBL176449	467.599	JGMLFEHHSMTFHO-BKZNFVNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143825
Fc1cccc(c1)CC1CCCCc2c1n(C)nc2/C=C/S(=O)(=O)N[C@H](c1ccccc1)C	PC-id_58882554,SCHEMBL176555	467.599	LUUNFDBNPNJRCI-XKFIIDRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-143826
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)n(C)c1	PC-id_40163340,EMOLS-id_27431858,ZINC22_32925573,MCULE-9215436896,CoCoCo_4891183	467.602	YUZVWTYZUQBIQV-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-143827
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(cc3)C#CC(C)(C)O)CCn12	EMOLS-id_20471425,ChEMBL-DNDi_CHEMBL22519036,PC-id_45186988,MCULE-3536687286	467.604	XNBVLIGFYCGBDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143828
CCCCCCCCCCCCNc1nc(=O)c2c(ncn2Cc2ccc(OC)cc2)c(=O)[nH]1	PC-id_503442,CHEMBL145949	467.604	RRYOVRBQIHRCEW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-143829
CC(C)CNC(=O)CCN(CC(C)C)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049911,EMOLS-id_25387432,MCULE-2465982412	467.604	WXXNLJOGTSKMBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143830
C/C(=N/NC(=O)c1cc2CCCCCc2s1)/c1cccc(NS(=O)(=O)c2ccccc2)c1	TIMTEC390287,PC-id_23096315,EMOLS-id_46458624,CoCoCo_6835071	467.604	PVDBPOHXYZTQEG-UQQQWYQISA-N	00000000100000110100000000000010000000000000000000000000	31-01-143831
C/C(=NNC(=O)c1cc2c(s1)CCCCC2)/c1cccc(c1)NS(=O)(=O)c1ccccc1	CoCoCo_6835072,PC-id_17349587	467.604	PVDBPOHXYZTQEG-KOEQRZSOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143832
CCOc1ccc(cc1)CNC(=O)c1nn2c(c1)CC(=O)N(C(C2)(C)CNC1CCCCC1)C	PC-id_143130848	467.604	CJWSNPXOSAAEFR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143833
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	CoCoCo_1230549,ZINC22_11814116,PC-id_42190563,CoCoCo_1230550	467.604	XNBVLIGFYCGBDD-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143834
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	PC-id_42190560,CoCoCo_1230552,CoCoCo_1230551,ZINC22_11814114	467.604	XNBVLIGFYCGBDD-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143835
O=C1N(CCCn2nc(cc12)C(=O)N(CC(C)C)CCC(=O)N(CC)CC)Cc1ccccc1	PC-id_46049616	467.604	PYJAPUWIPQOKFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143836
O=C1N(CCCn2nc(cc12)C(=O)N(CC(C)C)CCC(=O)NC(CC)C)Cc1ccccc1	PC-id_46049914	467.604	QYWHPWAZKIHOMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143837
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCCC(C)C)CC)Cc1ccc(cc1)C	PC-id_42854977	467.604	UHYURIUBKKPXSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143838
O=C(N(C(CC)C)CCC(=O)N(CC)CC)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46159908	467.604	YGFPGZWWRRLOMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143839
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)c1sccc1)Cc1ccccc1	PC-id_31845853	467.604	PAURJYBNOZJPSM-SFHVURJKSA-N	00000000100100110100000000000010000000000000000000000000	31-01-143840
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC(=O)c1sccc1)Cc1ccccc1	PC-id_74618889	467.604	PAURJYBNOZJPSM-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-143841
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)Cc1cc2OCOc2cc1)C)C#N	PC-id_51612405	467.604	UZNSNSLZPMIABQ-QGZVFWFLSA-O	00000010100010100101000000001010000000000000000000000000	31-01-143843
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)Cc1cc2OCOc2cc1)C)C#N	PC-id_51612406	467.604	UZNSNSLZPMIABQ-KRWDZBQOSA-O	00000010100010100101000000001010000000000000000000000000	31-01-143844
s1c2c(CCCCC2)c(c1NC(=O)C(N1CC[NH+](CC1)Cc1cc2OCOc2cc1)C)C#N	PC-id_75685966	467.604	UZNSNSLZPMIABQ-UHFFFAOYSA-O	00000010100010100101000000001010000000000000000000000000	31-01-143845
s1c(NC(=O)[C@@H]([NH+]2CCC(CC2)C(=O)Nc2c(O)cccc2)C)c(c2c1CCCCC2)C#N	PC-id_41139009	467.604	AFYCHUCIXNGLEE-INIZCTEOSA-O	00000000100010110100000000000010000000000000000000000000	31-01-143846
s1c(NC(=O)[C@H]([NH+]2CCC(CC2)C(=O)Nc2c(O)cccc2)C)c(c2c1CCCCC2)C#N	PC-id_41139011	467.604	AFYCHUCIXNGLEE-MRXNPFEDSA-O	00000000100010110100000000000010000000000000000000000000	31-01-143847
s1c(NC(=O)C([NH+]2CCC(CC2)C(=O)Nc2c(O)cccc2)C)c(c2c1CCCCC2)C#N	PC-id_74748881	467.604	AFYCHUCIXNGLEE-UHFFFAOYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-143848
S(=O)(=O)(c1ccccc1)Nc1cccc(c1)C(=NNC(=O)c1cc2c(CCCCC2)s1)C	PC-id_72175222,MCULE-1782740164	467.604	PVDBPOHXYZTQEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143849
Cc1c(cc(cc1)N1CCN(CC1)C/C(=C/N)/C=CC=C)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478306	467.605	CIRORDKPOYEWRI-ATCRKUKFSA-N	00000010100010110111100000000010000000000000000000000000	31-01-143850
C=C/C=CC(=C/N)CN1CCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077144	467.605	CIRORDKPOYEWRI-VDYPFAFUSA-N	00000010100010110111100000000010000000000000000000000000	31-01-143851
CCCCC(=O)NC1=CC(=C[C@H](C=C1)C)c1ccc(c(n1)C(=N)c1cc2c([nH]1)CC(=CC=C2)C)N	PC-id_145251343	467.605	VZLZSXOIAGUVQZ-IBGZPJMESA-N	00000000100000101110100000000010000000000000000000000000	31-01-143852
c1(NC(=O)CSc2nnc(c3ccc(cc3)OC)n2C)sc2c(CCCCCC2)c1C#N	ZINC22_20427619,MCULE-4976400869,CoCoCo_6837960,EMOLS-id_4151071,PC-id_17381536	467.607	SXPJGNPHTVRUJP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143853
Cc1ccccc1OCc1n[nH]c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1	CoCoCo_4174374,CoCoCo_4174376,ZINC22_14066582,CoCoCo_4174378,PC-id_25934793	467.607	AGIAKHRCIFDREA-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143854
Cc1ccccc1OCc1n[nH]c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1	CoCoCo_4174375,PC-id_25934792,CoCoCo_4174373,CoCoCo_4174377,ZINC22_14066577	467.607	AGIAKHRCIFDREA-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143855
C=CCn1c(nnc1c1ccoc1C)SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	MCULE-2036188158,PC-id_16327905,EMOLS-id_43973349	467.607	RWLDCEZLBZGGJE-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-143856
C=CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccoc1C	CoCoCo_4174049,PC-id_41188368,ZINC22_9725919	467.607	RWLDCEZLBZGGJE-OAHLLOKOSA-N	00000000101000000101100000000010000000000000000000000000	31-01-143857
C=CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccoc1C	CoCoCo_4174050,PC-id_41188367,ZINC22_9725914	467.607	RWLDCEZLBZGGJE-HNNXBMFYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-143858
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccccc1OC	EMOLS-id_43768300,CoCoCo_3054832,ZINC22_13141121,PC-id_4852300,MCULE-9449026192	467.607	UZOGAPAPMRLJII-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143859
N#Cc1c(NC(=O)C(Sc2[nH]nc(n2)COc2ccccc2C)C)sc2c1CCCCC2	MCULE-6362531046,EMOLS-id_11992285,PC-id_17556398	467.607	AGIAKHRCIFDREA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143860
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1n(CCc2ccccc2)c(=O)[nH]n1)C)C#N	PC-id_27505188	467.607	GQEDFFCVOXIAMF-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143861
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1n(CCc2ccccc2)c(=O)[nH]n1)C)C#N	PC-id_27505191	467.607	GQEDFFCVOXIAMF-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143862
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(CCc2ccccc2)c(=O)[nH]n1)C)C#N	PC-id_24498794	467.607	GQEDFFCVOXIAMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143863
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccccc1)C#N	PC-id_19733240	467.607	LMNHQWXZWAWFFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143864
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC)C#N	PC-id_19730787	467.607	JLLYQDCSXIYTAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143865
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)C)C#N	PC-id_19732163	467.607	LZJWOZDSMFGKRM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143866
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)CC)C#N	PC-id_19730593	467.607	JWIRXBUDYZAGNO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143867
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(c(nn1)c1c(OC)cccc1)C)C)C#N	PC-id_24497931	467.607	LVWMDMCTCBJEPD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143868
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)C)C#N	PC-id_19731811	467.607	PSUMCTUYUYHGSE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143869
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)C)C#N	PC-id_20123748	467.607	GMNCVHAIRQQBRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143870
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)C)C#N	PC-id_17304379	467.607	SDUAKPMGMRDXIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143871
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)C)C#N	PC-id_19634794	467.607	XUDNFEQCKJBVJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143872
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)C)C#N	PC-id_21165120	467.607	QXKWDWDEMKHBST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143873
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)C)C#N	PC-id_21165341	467.607	CANQUWWZURMGJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143874
s1c2CCCCCc2nc1NC(=O)c1nc(C(=O)Nc2sc3CCCCCc3n2)ccc1	PC-id_39058828	467.607	KFTRRIDJTJDWSG-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-143875
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)C)C#N	PC-id_19730521	467.607	GMWTWIDQPKIVBG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143876
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)CC=C)C#N	PC-id_19726227	467.607	DDLWDTQSVAAXBO-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-143877
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)C)C#N	PC-id_19730342	467.607	OHXDAGMJXDLZQW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143878
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)C)C#N	PC-id_19733173	467.607	GHUPUHFMJZPTIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143879
S(c1n(c(nn1)C1CC1)Cc1occc1)C(C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_24497001	467.607	IMDWKLJUXXQNMQ-UHFFFAOYSA-N	00100000101000000101100000000010000000000000000000000000	31-01-143880
CC(C)c1ccc2-c(c(cc2CCCCCCCNS(=O)(=O)c2ccccc2)C(=O)O)cc1	SCHEMBL9626858,CHEMBL353025,PC-id_10027602	467.62	XCARIGILPOERCX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-143881
CC(C)c1cccc2-c(c(cc2CCCCCCCNS(=O)(=O)c2ccccc2)C(=O)O)c1	PC-id_10096145,SCHEMBL9627357,CHEMBL167698	467.62	OBTKRHHPCNXTTN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-143882
S(=O)(=O)(NCCCCCCc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2)c1ccccc1	PC-id_10254032	467.62	JSLGLHGSTUMNFZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-143883
S(=O)(=O)(NCCCCCCc1c2-c(c(c1)C(=O)OC)cc(C(C)C)ccc2)c1ccccc1	PC-id_9982041	467.62	VJCWUEYYWKQSTP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-143884
CC1=C(CCN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)C(C)(C)CCC1	MCULE-6403138768,EMOLS-id_20735417,CoCoCo_1624885,ZINC22_15006775,CoCoCo_1624884,PC-id_26361896	467.622	HFUXHPUCSRHZMV-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-143885
S1(=O)(=O)CCc2c(sc(NC(=O)c3sc4CCCCCCc4c3)c2C(=O)OCC)C1	PC-id_55497107	467.622	YAZSUYVCLYKMGD-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-143886
O=C(N1CCN(CC1)CC1CC1)OCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	SCHEMBL6366104,PC-id_59986878	467.624	YZKXKEGYQJCPRM-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-143887
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C/C=C/c1ccccc1)C(=O)OC	PC-id_22199790	467.624	GPYYFWWTHWLLOZ-DHZHZOJOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143888
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)CC=Cc1ccccc1)C(=O)OC	PC-id_73875719	467.624	GPYYFWWTHWLLOZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143889
NC(=O)c1c(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)sc2CCCCCc12	CoCoCo_5174683,PC-id_16830524,EMOLS-id_5605497,ZINC22_10186827,MCULE-8876874047	467.625	IKFIWFKSQGZEFA-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-143890
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NC)cc1)C(=O)OCC	PC-id_19680146	467.625	SZTWCHNRNAIPJD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143891
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NCC)cc1)C(=O)OC	PC-id_19680570	467.625	UYDPSPQBJCRBCF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143892
s1c2c(CCCCC2)c(c1NC(=S)NCc1ccc(S(=O)(=O)N)cc1)C(=O)OCC	PC-id_19649504	467.625	UMNKMILYOODXAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143893
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)N)cc1)C(=O)OCC	PC-id_20414196	467.625	KWENGLPMNNGUNG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143894
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NC)cc1)C(=O)OC	PC-id_19680139	467.625	AACVGMGFYFLBSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143895
s1c2c(CCCCCC2)c(c1NC(=S)NCc1ccc(S(=O)(=O)N)cc1)C(=O)OC	PC-id_19649500	467.625	XRRWVNOYAMGCAK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143896
S(=O)(=O)(N1CCCCC1)c1c(scc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_24654692	467.625	BEVSNVGVKDTXTA-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-143897
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1sccc1	PC-id_16826386	467.625	YGXGTDVKMCSCRI-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-143898
S(=O)(=O)(N1CC(CCC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1sccc1	PC-id_24503533	467.625	QDDLDATXYVXQMI-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-143900
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cccc(c4ccccc4C)c3)CCn12	MCULE-3824458219,PC-id_45167233,EMOLS-id_20677471,ChEMBL-DNDi_CHEMBL73537449	467.627	IPFMQGHJRJCZLR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143901
Cc1ccccc1c1cccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	PC-id_28698334,ZINC22_20168573	467.627	IPFMQGHJRJCZLR-XMMPIXPASA-N	00000000100000110101100000000010000000000000000000000000	31-01-143902
Cc1ccccc1c1cccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c1	ZINC22_20168577,PC-id_28698336	467.627	IPFMQGHJRJCZLR-DEOSSOPVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143903
CC(C(c1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1C)NS(=O)(=O)C)C	ChEMBL-DNDi_CHEMBL83308294,PC-id_45167349	467.627	VRKFQQREZHYTFW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143904
CC(C(c1nnc2n1CCN(CC2)CC(c1ccccc1)c1ccccc1)NS(=O)(=O)C)C	MCULE-5157039419,PC-id_45198051,EMOLS-id_20520173	467.627	YREAIRXFUUFJBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143905
CC([C@@H](c1nnc2n1CCN(CC2)CC(c1ccccc1)c1ccccc1)NS(=O)(=O)C)C	CoCoCo_1300463,PC-id_42365763,CoCoCo_1300462	467.627	YREAIRXFUUFJBP-DEOSSOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143906
CC([C@H](c1nnc2n1CCN(CC2)CC(c1ccccc1)c1ccccc1)NS(=O)(=O)C)C	PC-id_42365761,CoCoCo_1300460,CoCoCo_1300461	467.627	YREAIRXFUUFJBP-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-143907
COCCNCC(=C)NC(=NC1CCC(C1)CO)/C(=C(/C#N)C)/c1nc2c(s1)CC=CC=C2	PC-id_143946645	467.627	FQZVTBOOTHHKFZ-QJOMJCCJSA-N	00000010100000000111000000000010000000000000000000000000	31-01-143908
S(=O)(=O)(N[C@@H](c1n2CCN(CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C(C)C)C	PC-id_29024297	467.627	VRKFQQREZHYTFW-XMMPIXPASA-N	00000000100000110101100000000010000000000000000000000000	31-01-143909
S(=O)(=O)(N[C@H](c1n2CCN(CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C(C)C)C	PC-id_29024300	467.627	VRKFQQREZHYTFW-DEOSSOPVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143910
CCCCCCCCCOC(=O)C1CCCCn2c1ccc2C(=O)c1ccc(cc1)OC(C)C	SCHEMBL11195501,PC-id_70534482	467.64	XOUNLTPLPKZPSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143911
O=C(c1sc2c(c1)CCCCCC2)OCC(=O)N(C1CCS(=O)(=O)C1)C1CCCCC1	MCULE-4464459324,PC-id_24341571,EMOLS-id_19310948	467.642	GDNMKAVLNHZWMA-UHFFFAOYSA-N	00000010100010000100000000000010000000000000000000000000	31-01-143912
O=C(OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCCC2	PC-id_29838185,ZINC22_21867335,CoCoCo_2876711	467.642	GDNMKAVLNHZWMA-IBGZPJMESA-N	00000010100010000100000000000010000000000000000000000000	31-01-143913
O=C(OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCCC2	ZINC22_21867331,PC-id_29838182,CoCoCo_2876712	467.642	GDNMKAVLNHZWMA-LJQANCHMSA-N	00000010100010000100000000000010000000000000000000000000	31-01-143914
CCCCC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	PC-id_136659350	467.645	MVCQTXNXGYVNQC-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-143915
CCCCC1CCCCCCc2cc1c([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	SCHEMBL3872904,PC-id_135767901	467.645	MVCQTXNXGYVNQC-COEJQBHMSA-N	00000011110000110100100000000010000000000000000000000000	31-01-143916
O(c1/c(=C/c2[nH]c3CCCCCCC(c2c3)CCCC)/[nH]/c(=C/2N=CC=C2)/c1)Cc1ccccc1	PC-id_18176969	467.645	PHJFATWWGQJDSN-AOAUYBMJSA-N	00000011110000110100100000000010000000000000000000000000	31-01-143917
O(c1/c(=C/c2[nH]c3CCCCCCC(c2c3)CCCC)/[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68821967	467.645	PHJFATWWGQJDSN-MYRKBEFRSA-N	00000011110000110100100000000010000000000000000000000000	31-01-143918
O(c1c(=Cc2[nH]c3CCCCCCC(c2c3)CCCC)[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68821968	467.645	PHJFATWWGQJDSN-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-143919
s1c2c(CCCCCC2)c(c1NC(=O)CSC1NC(CCC)CC(=O)N1)C(=O)OCC	PC-id_78340759	467.645	GFSXAPOITJOPGL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-143920
S(=O)(=O)(N1CCN(CC1)CCC(=O)Nc1sc2c(CCCCC2)c1C#N)N(CC)CC	PC-id_16597894	467.648	NXFRSPIZQKWEIZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-143921
S(=O)(=O)(N1CCN(CC1)C(C(=O)Nc1sc2c(CCCCC2)c1C#N)C)N(CC)CC	PC-id_16597979	467.648	ANGBWJNPWQDKSI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-143922
s1c(NC(=O)[C@@H]([NH+]2CCN(CC2)c2nc(nc(c2)C)C(C)C)C)c(c2CCCCCc12)C#N	PC-id_41260529	467.65	DVQNOWAUWUCLLC-SFHVURJKSA-O	00000000100010100101100000000010000000000000000000000000	31-01-143923
s1c(NC(=O)[C@H]([NH+]2CCN(CC2)c2nc(nc(c2)C)C(C)C)C)c(c2CCCCCc12)C#N	PC-id_41260531	467.65	DVQNOWAUWUCLLC-GOSISDBHSA-O	00000000100010100101100000000010000000000000000000000000	31-01-143924
s1c(NC(=O)C([NH+]2CCN(CC2)c2nc(nc(c2)C)C(C)C)C)c(c2CCCCCc12)C#N	PC-id_74755414	467.65	DVQNOWAUWUCLLC-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-143925
c1(c2CCCCCc2sc1NC(=O)CN1CCCCC1CC)C(=O)Nc1ccccc1CC	PC-id_4556069,EMOLS-id_2785236,MCULE-8337531291,TIMTEC133870	467.667	DVBZFHSOURXFBV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-143926
CCc1ccccc1NC(=O)c1c(NC(=O)CN2CCCC[C@H]2CC)sc2c1CCCCC2	PC-id_26875423,CoCoCo_6723882,CoCoCo_6723880,ZINC22_15946758	467.667	DVBZFHSOURXFBV-HXUWFJFHSA-N	00000000100010110100000000000010000000000000000000000000	31-01-143927
CCc1ccccc1NC(=O)c1c(NC(=O)CN2CCCC[C@@H]2CC)sc2c1CCCCC2	PC-id_26875425,ZINC22_15946760,CoCoCo_6723883,CoCoCo_6723881	467.667	DVBZFHSOURXFBV-FQEVSTJZSA-N	00000000100010110100000000000010000000000000000000000000	31-01-143928
CNCC1OCc2nnn(c2)CCCC(=O)N(CC1C)C(CO[Si](C(C)C)(C(C)C)C)C	PC-id_140699532	467.721	INOGOYCWEHTQSK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143929
CC(/C/1=C(/C)C=C/C(=C)/C(=c/cc/c(=C(/C(=C)/C=CC(=C(C(=CC=C1/C)C)/C)C)C)/[nH]2)/C(C)C)C	SCHEMBL21131351,PC-id_138749550	467.728	NZGNHXUQMULLQV-KFCPBHRISA-N	00000000100000000110000000000010000000000000000000000000	31-01-143930
C/C(=CC=CC(C[CH+]c1cc(c2-c1c(C)ccc(c2)C(C)C)C)C)/C=C/C1=C(C)CCCC1(C)C	PC-id_101171609	467.748	JLFNWIOLWHRMIW-OHJHEYQASA-N	00000010100011000110000000000010000000000000000000000000	31-01-143931
N#Cc1c(NC(=O)COC(=O)c2cc(Br)ccc2Cl)sc2c1CCCCC2	PC-id_2365423,ZINC22_3248237,CoCoCo_2929952,MCULE-6624241624,EMOLS-id_43725776	467.764	FFIYRDUALSFWIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143932
Clc1ccc(cc1)Cn1cnc(n1)C(=O)NC1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	PC-id_140764698	467.832	YTZODEVDCWURQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143933
Clc1ccc(cc1)Cn1cnc(n1)C(=O)N[C@@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18366909	467.832	YTZODEVDCWURQB-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143934
Clc1ccc(cc1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18366911	467.832	YTZODEVDCWURQB-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143935
Clc1cccc(c1)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18366912	467.832	DFKDHSDSRSKDMW-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143936
Clc1cccc(c1)Cn1cnc(n1)C(=O)N[C@@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18366915	467.832	DFKDHSDSRSKDMW-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143937
O=C1[C@@H](CCn2c(N1C)cc(n2)C(F)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1Cl	SCHEMBL18366895	467.832	RITDCMFHINUOAO-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143938
O=C1[C@H](CCn2c(N1C)cc(n2)C(F)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1Cl	SCHEMBL18366897	467.832	RITDCMFHINUOAO-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143939
CCOC(=O)C(=NO)Cc1ccc2-c(c(c(c2OC(=O)OCC)Cl)OC(=O)OCC)cc1	PC-id_88317293,SCHEMBL8526716	467.854	ZXPGLIZNNVHKBY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-143940
Clc1cc(OCn2ncc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)c2)ccc1	PC-id_19523827	467.872	JZMISRGGQPHTAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143941
CCOC(=O)CC1=C(NC2=C1C(=I(=CC=C2)C)[N+](=O)[O-])Br	PC-id_154548343	467.918	BGTNRJZICZKZBJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-143942
C1CCc2c([nH]nc2C(=Cc2ccc(cc2)Cl)C1)C(=O)NC(Cc1ccc(cc1)F)C(=O)O	PC-id_87634670	467.92	NZQLKDWOGBVJJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143943
C1CCc2c([nH]nc2C(=Cc2cc(ccc2)Cl)C1)C(=O)NC(Cc1ccc(cc1)F)C(=O)O	PC-id_87635582	467.92	USHVGSAZRJHLBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143944
Clc1cc(C=C2CCCCc3c2n[nH]c3C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)ccc1	PC-id_68958563,SCHEMBL4213967	467.92	USHVGSAZRJHLBH-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143945
Clc1cc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)ccc1	PC-id_68958969,SCHEMBL4214854	467.92	USHVGSAZRJHLBH-GUOCTKQSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143946
Clc1cc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)ccc1	PC-id_68963852,SCHEMBL4225105	467.92	USHVGSAZRJHLBH-RKCQOLGWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143947
Clc1cc(C=C2CCCCc3c2n[nH]c3C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)ccc1	SCHEMBL4221442,PC-id_68962152	467.92	USHVGSAZRJHLBH-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143948
Clc1ccc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)cc1	PC-id_68964150,SCHEMBL4225744	467.92	NZQLKDWOGBVJJK-ZDJZVTAXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143949
Clc1ccc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)cc1	SCHEMBL4207964,PC-id_68955937	467.92	NZQLKDWOGBVJJK-RYEVTAHJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143950
Clc1ccc(C=C2CCCCc3c2n[nH]c3C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)cc1	SCHEMBL4207966,PC-id_68955938	467.92	NZQLKDWOGBVJJK-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143951
Clc1ccc(C=C2CCCCc3c2n[nH]c3C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)cc1	SCHEMBL4225746,PC-id_68964151	467.92	NZQLKDWOGBVJJK-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143952
BrC1C(Nc2[nH]ccn2)c2c([nH]c(Br)c2Br)C(=O)NC1	SCHEMBL7151787,PC-id_18626919	467.942	VWGCYGYIIZNQDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143953
Br[C@H]1[C@H](Nc2[nH]ccn2)c2c([nH]c(Br)c2Br)C(=O)NC1	PC-id_10552215,SCHEMBL7151790	467.942	VWGCYGYIIZNQDP-FBCQKBJTSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143954
Br[C@@H]1[C@@H](Nc2[nH]ccn2)c2c([nH]c(Br)c2Br)C(=O)NC1	SCHEMBL7151784,PC-id_22976010	467.942	VWGCYGYIIZNQDP-MHTLYPKNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143955
OCCCN1C(=O)C(C)CCc2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1ccccc1	SCHEMBL18835022	467.945	YHPFXEDNLHBVBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143956
Clc1c(cc(S(=O)(=O)N)cc1)C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_24373008	467.946	CGEDORHPSBFKLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143957
N#Cc1c(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N)c2)sc2c1CCCCC2	ZINC22_9283569,CoCoCo_3019185,MCULE-4004254389,PC-id_4856013,EMOLS-id_43757355	467.946	ZIWBSHVXRXYYPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143958
Clc1c(S(=O)(=O)NCC2OCCC2)cc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_55524171	467.97	RITKAASPNSIENY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-143959
Clc1sc(OC(=O)NC2CC(N(C2)C(=O)c2nc3n(CCC(NC3)C)c2)COC)cc1	PC-id_77947757	467.97	MUKHYESDUOWYGG-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-143960
Clc1sc(OC(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2nc3n(CCC(NC3)C)c2)COC)cc1	PC-id_70893581,SCHEMBL13372718	467.97	MUKHYESDUOWYGG-IUZLNWEFSA-N	00000010100100000101000000000010000000000000000000000000	31-01-143961
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc(SC)cc1	PC-id_4283721	467.986	YDXDVJQWNINIME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143962
COC(=O)c1c(NC(=O)COC(=O)CSc2ccc(Cl)cc2)sc2c1CCCCC2	EMOLS-id_43776096,PC-id_2460737,CoCoCo_3084047,ZINC22_3344246,MCULE-8640634130	467.986	NIPLOYJKKCXALR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143963
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc([N+](=O)[O-])c1	PC-id_20415378	467.989	BGZQTEJHNZEWST-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143964
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc([N+](=O)[O-])cc1	PC-id_20415191	467.989	YYGBRLRRDGFNKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143965
Clc1c([N+](=O)[O-])cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_20415295	467.989	AQSJXMDBGHGHDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-143966
Clc1c(S(=O)(=O)NC2CC2)cc(cc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_24462355	467.989	BCRBGBYXZXBEMO-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-143967
Clc1sc(/C(=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)/C)cc1	PC-id_19660516	467.989	BATASMFJYNCHOM-FOKLQQMPSA-N	00000000100100000100000000000010000000000000000000000000	31-01-143968
Clc1sc(C(=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)C)cc1	PC-id_73634971	467.989	BATASMFJYNCHOM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-143969
Clc1sc(C(=O)NC2C[C@H](N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)C(=O)O)cc1	SCHEMBL14044947,PC-id_71055922	467.989	QUXURBGNMPBKJA-ABLWVSNPSA-N	00000010100100000100000000000010000000000000000000000000	31-01-143970
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)C(=O)O)cc1	SCHEMBL3308362,PC-id_25020167	467.989	QUXURBGNMPBKJA-OLZOCXBDSA-N	00000010100100000100000000000010000000000000000000000000	31-01-143971
Clc1sc(C(=O)N[C@@H]2CC(N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)C(=O)O)cc1	SCHEMBL14045004,PC-id_71055951	467.989	QUXURBGNMPBKJA-PZORYLMUSA-N	00000010100100000100000000000010000000000000000000000000	31-01-143972
Clc1cc(n2ncc(C(=O)N3CCN(CC3)Cc3n4CCCCCc4nn3)c2CC)ccc1	PC-id_46589459	467.994	UITDOIZZPQELGC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-143973
Clc1c(n(nc1C)c1ccc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1)C	PC-id_46449524	467.994	CXGPKAQGODKFSP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-143974
CC1=C(C2=C(S1)NC(=O)[C@@H](N(C2)C(=O)OCC3=CC=CC=C3)OC(=O)OC)Br	PC-id_161286878	467.999	UPDWHUDITRLSKE-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143975
CC(c1ccccc1)NS(=O)(=O)C=Cc1c2CCCCC(=Cc3ccc(cc3)Cl)c2n[nH]1	PC-id_90721113	468.011	GUXIGRIJAMKJHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143976
CC(c1ccccc1)NS(=O)(=O)C=Cn1c2c(CCCCC2=Cc2ccc(cc2)Cl)cn1	PC-id_91487056	468.011	MYZRUIALMZQCGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143977
CC(C)c1ccc2-c(c(cc2CCC/C=N/N=C(S)/Nc2ccc(Cl)cc2)C(=O)O)cc1	PC-id_44291537,CHEMBL1206687	468.011	RNGFXWFDRCPTKO-MZJWZYIUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-143978
Clc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2/C=C/S(=O)(=O)N[C@@H](c1ccccc1)C	SCHEMBL176549,PC-id_58882587	468.011	GUXIGRIJAMKJHK-YJWOXGRHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143979
Clc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2/C=C/S(=O)(=O)N[C@H](c1ccccc1)C	SCHEMBL176649,PC-id_24936644	468.011	GUXIGRIJAMKJHK-ZJQZWDJDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143980
Clc1ccc(NC(=S)NN=CCCCc2c3-c(c(c2)C(=O)O)ccc(C(C)C)cc3)cc1	PC-id_74971905	468.011	RNGFXWFDRCPTKO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-143981
Cc1ccsc1S(=O)(=O)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1	EMOLS-id_313794108,ZINC22_1260064038	468.013	DKXSTUINDWLNPF-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-143982
Clc1c(S(=O)(=O)N2CC(CCC2)C)cc(cc1)C(=O)Nc1sc2CCCCCc2n1	PC-id_16605136	468.032	JJKUDAUJMJBEDK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-143983
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)COC)cc1	PC-id_68590416,SCHEMBL3308413	468.032	AVVHJXHCWVZWSI-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-143984
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(C(CN(CC3)C)C)c2)CO)cc1	PC-id_72246300	468.032	HCFKBBGHPMYLQM-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-143985
Clc1sc(C(=O)NC2C(OC)CN(C2)C(=O)c2sc3C(CN(CCc3c2)C)C)cc1	SCHEMBL3304403,PC-id_68588618	468.032	HSMGPDKBDYMUHQ-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-143986
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)COC)cc1	PC-id_59285230,SCHEMBL3308423	468.032	AVVHJXHCWVZWSI-CABCVRRESA-N	00000010100100000100000000000010000000000000000000000000	31-01-143987
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(C(CN(CC3)C)C)c2)CO)cc1	SCHEMBL3313412,PC-id_59285241	468.032	HCFKBBGHPMYLQM-IUZLNWEFSA-N	00000010100100000100000000000010000000000000000000000000	31-01-143988
Clc1sc(C(=O)N[C@@H]2[C@@H](OC)CN(C2)C(=O)c2sc3C(CN(CCc3c2)C)C)cc1	PC-id_59285217,SCHEMBL13395119	468.032	HSMGPDKBDYMUHQ-ZRNAQANOSA-N	00000010100100000100000000000010000000000000000000000000	31-01-143989
CNc1nc2-c(c(Cc3cc(Br)c(OC)c(Br)c3)c(=O)n(C)cc2)n1	CHEBI:65608,SCHEMBL2228904,PC-id_11488186,MCULE-7792667061,EMOLS-id_27517876,CMNPD13501,ZINC22_6744958,CHEMBL1277687,CNP0274814,UNPD139580,SCHEMBL14019702	468.143	HAIJSTYZBPUVSG-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-143990
CC1(COC2=CSC=C2OC1)CNCCOCCNCC3(COC4=CSC=C4OC3)C	PC-id_165154610	468.175	KCLGXAJZYNFFEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-143993
C/C=CC(=C/C(=C)[C@@H]1CCCCn2c1nc(n2)Nc1cc(c(cc1)n1cc(nc1)Cl)OC)F	PC-id_163719790	468.184	KQNYGIPGAJBUAZ-PBZNXVJFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-143994
C/C=CC=C(/C(=C)[C@@H]1CCCCn2c1nc(n2)Nc1cc(c(cc1)n1cc(nc1)Cl)OC)F	PC-id_163824540	468.184	NYIAOVQDBFEGNL-HWZCSKLISA-N	00000000100000110101100000000010000000000000000000000000	31-01-143995
CC1=C(NC2=C1C(=O)[C@@H](CNC2)CC(CN3CCOCC3)O)/C=C/C5=C(C=CC(=C5)F)NC4=O	PC-id_149432002	468.217	RGFNCBBTGXSUKX-NZCLDZNQSA-N	00000010100010100101000000001010000000000000000000000000	31-01-143996
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)CC2CC3=COC(=N3)CCCCNC(=O)C2=O	PC-id_161301096	468.226	VHQATUARRYSZCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143997
CC(C)CC(C(=O)CC1CC2=CC(=NN2)CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_148441925	468.237	LZMMLDYPNIEMOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143998
CC(C)CC(C(=O)CC1CC2=CN(CCCNC(=O)C1=O)N=C2)NC(=O)OCC3=CC=CC=C3	PC-id_161223920	468.237	UXWKVQQUJKJAJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-143999
CC(C)C(C(=O)CC1CC2=CC(=NN2)CCCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_148274731	468.237	KUFORTHZEQHWGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144000
CC(C)C(C(=O)CC1CCC2=C(CCCNC(=O)C1=O)NN=C2)NC(=O)OCC3=CC=CC=C3	PC-id_161371224	468.237	VQMFEPXOWFUVLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144001
CC(C)C(C(=O)CC1CCC2=CN(CCCNC(=O)C1=O)N=C2)NC(=O)OCC3=CC=CC=C3	PC-id_160849685	468.237	SJCDYLVPNDEBOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144002
CC(C)C(C(=O)CC1CCCC2=CC(=NN2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_146705105	468.237	QXIFVXWMEZVOGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144003
CC(C)C(C(=O)CC1CCCN2C=C(CCNC(=O)C1=O)C=N2)NC(=O)OCC3=CC=CC=C3	PC-id_161864877	468.237	YAVNJHZAPYKPMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144004
COc1ccc(Cn2c(Br)nc3c(=O)nc(NCc4ccccc4)[nH]c(=O)c23)cc1	CHEMBL371725,PC-id_15954370	468.303	QCXVLLDLZFVEOL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144005
CCCCC(CC)COCC1(COC2=CSC(=C2OC1)CC)COCC(CC)CCCC	PC-id_153577429	468.327	WTYULAIMZQKTQB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144006
N#CC(c1nnc2n1CCCCC2)C(=O)c1ccc(cc1)NC(=O)c1cc(Cl)cc(c1)Cl	PC-id_112821788	468.335	MDKCALBHACUBLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144007
Brc1cc(C(=O)Nc2cc(C(=O)NCc3n4CCCCCc4nn3)ccc2)ccc1	PC-id_60464966	468.346	YADBLKXQEOLVHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144008
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OCP(=O)(O)O)C	SCHEMBL8153374,PC-id_23296752	468.394	UFZWVNVRMYMNEG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-144009
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(P(=O)(OC)O)OC	SCHEMBL8153380,PC-id_53812089	468.394	FPTPRKQWFIPKRS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-144010
c1(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)sc2c(c(ccc2)Cl)c1Cl	TIMTEC546740,EMOLS-id_4151418,PC-id_1760877,MCULE-6560723211,CoCoCo_5835440,SPECS-id_AK-968/41021398,ZINC22_2105855	468.416	XHRKAHCNKDUVCP-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-144011
Clc1cc(CC2c3n(nc(c3CCCC2)C(=O)NC2CC2)Cc2ccc(Cl)cc2)ccc1	PC-id_58882655,SCHEMBL176586	468.418	KBXSOPFPEGWYEO-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-144012
Clc1ccc(cc1)CC1CCCCc2c1n(Cc1ccc(cc1)Cl)nc2C(=O)NC1CC1	SCHEMBL176633,PC-id_25026608	468.418	WVCMISFNXJKHDG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-144013
Clc1ccc(CC2c3n(nc(c3CCCC2)C(=O)NC2CC2)Cc2cc(Cl)ccc2)cc1	PC-id_25026609	468.418	BDFVDQJUCPMNMP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-144014
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)(Cc1ccccc1C(F)(F)F)C(=O)O	BindingDB_PC-id_10073326,PC-id_10073326,CHEMBL288742	468.426	JURPGHQCHGTKLD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144015
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)(Cc1cccc(C(F)(F)F)c1)C(=O)O	CHEMBL37273,BindingDB_PC-id_10322371,PC-id_10322371	468.426	YFHPKJWCBJKRTG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144016
O=C(O)C(CCCCn1cnc2c1NC=NCC2O)(Cc1ccc(C(F)(F)F)cc1)C(=O)O	BindingDB_PC-id_10322372,CHEMBL289398,PC-id_10322372	468.426	JMXRYZISHCQKQY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144017
[O-][N+](=O)C1=CC=c2c(=C=C1)n(cc2C(C(F)(F)F)(CNc1cccnc1)O)Cc1ccccc1	PC-id_143434889	468.428	NXBNFKYYAXXAFX-UHFFFAOYSA-N	00000000100000111110000000000010000000000000000000000000	31-01-144018
c1(NC(=S)Nc2ccc(cn2)Br)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_2212543,ZINC22_6385964,MCULE-5196209404,CoCoCo_1003925,TIMTEC124028,EMOLS-id_2245473	468.431	DJZCDFGZXGDDDH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-144019
O=CNC(=O)[C@@](c1cc2c(o1)C=C(C=NC2)C=O)(CN1Cc2c(C1=O)c(F)c(cc2)OC)NC	PC-id_143989697	468.434	XYKGUPAMOSBGGJ-QHCPKHFHSA-N	00000010100000100110000000001010000000000000000000000000	31-01-144020
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2ccc3-c(cc2)c(cc3C(=O)O)C(=O)O)ccc1	PC-id_72423641	468.453	NXRCIBZYIJYSMU-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-144021
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2ccc3-c(cc2)c(cc3C(=O)O)C(=O)O)ccc1	SCHEMBL14590095,PC-id_58786154	468.453	NXRCIBZYIJYSMU-ZQGJOIPISA-N	00000010100010110110100000000010000000000000000000000000	31-01-144022
FC(F)(F)c1cc(COc2c(OC)cc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)ccc1	PC-id_35636116	468.471	WMCHWIBCQQNFDO-XDHOZWIPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144023
FC(F)(F)c1cc(COc2c(OC)cc(C=C(c3n4CCCCCc4nn3)C#N)cc2)ccc1	PC-id_74642830	468.471	WMCHWIBCQQNFDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144024
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(n(nc1)CC)C(=O)N1CCOCC1	PC-id_19523852	468.473	NDHCDMCAASHRHB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-144025
c12C(=O)N(CCCn1nc(C(=O)Nc1cc(OC)c(c(OC)c1)OC)c2)Cc1cccc(F)c1	EMOLS-id_32632950,MCULE-8235032331,PC-id_53086357	468.478	PNAGGTSIMJOCKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144026
CC(C)NC(=O)c1c(cc(cc1)c1nccc(c1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580020,SCHEMBL14965574	468.481	IHCDJDMPDFPQRU-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-144027
CC(C)NC(=O)c1c(ccc(c1)c1nc(ccc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965639,PC-id_89580065	468.481	BYFFKFKCYPYDDW-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-144028
CC(C)NC(=O)c1c(cc(cc1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965830,PC-id_89580206	468.481	ZEWGBGJWEVPMFM-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-144029
CC(C)NC(=O)c1c(ccc(c1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14966157,PC-id_89580449	468.481	ZEFDGNXRIQRBHM-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-144030
CC(C)NC(=O)c1c(cc(cc1)c1nc(ccc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14966213,PC-id_89580488	468.481	ANJLSDOPLNBBHR-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-144031
O=C(c1cc(ccc1F)C1=CC=C(CN1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-])NC1CC1	PC-id_145578243	468.481	QJARDUZTCPVQLY-UHFFFAOYSA-N	00100000100011110101100000000010000000000000000000000000	31-01-144032
OC(=O)CNc1ccccc1/C(=C/c1ccccc1)/Cc1sc2c(n1)CC(=C(C=C2F)F)F	PC-id_142083699	468.491	QAHLQASFQILEHQ-MHWRWJLKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144033
CCOc1ccc(cc1[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1cc2-c(c1C(=O)O)ccccc2	SCHEMBL14590086,PC-id_58786139	468.496	QHCPKLHKQUYZER-HFBCXCLPSA-N	00000010100010110110100000000010000000000000000000000000	31-01-144034
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OCC(=O)OC	PC-id_72423603	468.496	JPCOGGMOWMHGOU-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-144035
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)O)ccc1OCC	PC-id_72423631	468.496	QHCPKLHKQUYZER-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-144036
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)OC)c(OC)cc1	PC-id_72423644	468.496	RFSQPDCLCUCHNL-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-144037
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2cc3-c(c2)ccccc3)ccc1OCC(=O)OC	PC-id_58786109,SCHEMBL14590143	468.496	JPCOGGMOWMHGOU-ZGLCYIBRSA-N	00000010100010110110100000000010000000000000000000000000	31-01-144038
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)OC)c(OC)cc1	SCHEMBL14590105,PC-id_58786157	468.496	RFSQPDCLCUCHNL-HFBCXCLPSA-N	00000010100010110110100000000010000000000000000000000000	31-01-144039
CC(C(C(=O)NC1Cc2cnc(o2)CCNC(=O)C1O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21109242,PC-id_138730091	468.499	GKKIVCBJHSYDGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144040
CC(C(C(=O)NC1Cc2ncc(o2)CCNC(=O)C1O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138731533,SCHEMBL21110736	468.499	DICIVOZIWQFPFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144041
COC(=O)/C(=C(c1c([O-])[nH]c(=S)[nH]c1=O)/Nc1sc2c(c1C(=O)OC)CCCCC2)/F	GD-id_ZINC29005385	468.499	PVQBZZHGNNEKIE-SEYXRHQNSA-M	00000000100000100101000000000010000000000000000000000000	31-01-144042
BrCC#Cc1c2n(CCCCC2CCO[Si](C(C)(C)C)(C)C)c(c1)C(=O)OC	PC-id_76022412	468.5	CXNDGVLVPGZPMF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-144043
BrCC#Cc1c2n(CCCC[C@@H]2CCO[Si](C(C)(C)C)(C)C)c(c1)C(=O)OC	PC-id_53359133	468.5	CXNDGVLVPGZPMF-QGZVFWFLSA-N	00000000100000000100000000000010000000000000000000000000	31-01-144044
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C=O)C=O	PC-id_19102901,SCHEMBL9335636	468.501	JMMIHZQVRLMLKN-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-144045
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OC[C@](NS2(=O)=O)(C)Cc1ccccc1	SCHEMBL18352940	468.501	SSKAFCLKIOFHCA-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144046
N#CC(=c1ccc(=C(c2c3-c(n(c2=O)C)ccccc3)c2c3-c(n(c2=O)C)ccccc3)cc1)C#N	PC-id_102378805	468.505	HBWQDNAQYGCXSE-UHFFFAOYSA-N	00000010100000100110000000000010000000000000000000000000	31-01-144047
S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)c2sc3CCCCCCc3c2)ccc1OCC	PC-id_26459406	478.625	RYKBVOPYKACPIB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147063
C=CCOc1ccccc1C[N@H+]1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1cc(F)ccc1F)C	GD-id_ZINC11966204,PC-id_42319535	468.519	RUMDTQDBESATBJ-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144048
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2c(OCC=C)cccc2)C)cc(F)cc1	PC-id_74791892	468.519	RUMDTQDBESATBJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144049
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)CC=Cc2ccc(OC)cc2)C)cc(F)cc1	PC-id_74494047	468.519	RWYWSTOEKANYGB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144050
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)CC=Cc2c(OC)cccc2)C)cc(F)cc1	PC-id_74844422	468.519	IYSFOFNUKKUJJH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144051
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2c(OCC=C)cccc2)C)cc(F)cc1	PC-id_42319532	468.519	RUMDTQDBESATBJ-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144052
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)C/C=C/c2ccc(OC)cc2)C)cc(F)cc1	PC-id_26277629	468.519	RWYWSTOEKANYGB-REMYHPOOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144053
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)C/C=C/c2ccc(OC)cc2)C)cc(F)cc1	PC-id_26277631	468.519	RWYWSTOEKANYGB-IDOMTICXSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144054
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)C/C=C/c2c(OC)cccc2)C)cc(F)cc1	PC-id_42342443	468.519	IYSFOFNUKKUJJH-QQOXCAACSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144055
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)C/C=C/c2c(OC)cccc2)C)cc(F)cc1	PC-id_42342451	468.519	IYSFOFNUKKUJJH-UABRLCRWSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144056
Cc1c([nH]c2c1C(=O)N(CCC2)CC(CN1CCOCC1)O)C=C1c2c(ccc(c2)F)NC1=O	SCHEMBL3140156,PC-id_87484743,HMDB0253087	468.521	MCTXSDCWFQAGFS-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-144057
Fc1cc2C(=Cc3[nH]c4CCCN(C[C@@H](O)CN5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68526264,SCHEMBL3140161	468.521	MCTXSDCWFQAGFS-KRWDZBQOSA-N	00000010100010100101000000001010000000000000000000000000	31-01-144058
Fc1cc2C(=Cc3[nH]c4CCCN(C[C@H](O)CN5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_71008166,SCHEMBL13834955	468.521	MCTXSDCWFQAGFS-QGZVFWFLSA-N	00000010100010100101000000001010000000000000000000000000	31-01-144059
Fc1cc2/C(=C/c3[nH]c4CCCN(C[C@@H](O)CN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL3140145,PC-id_25133084	468.521	MCTXSDCWFQAGFS-LSPINASFSA-N	00000010100010100101000000001010000000000000000000000000	31-01-144060
Fc1cc2/C(=C/c3[nH]c4CCCN(C[C@H](O)NC5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_59250070,SCHEMBL13415600	468.521	SMOCGPAAKHXOJR-VWOYCULZSA-N	00000010100010100100000000001010000000000000000000000000	31-01-144061
Fc1cc2/C(=C/c3[nH]c4CCCN(CC(O)CN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL3140151,PC-id_68526259	468.521	MCTXSDCWFQAGFS-UNOMPAQXSA-N	00000010100010100101000000001010000000000000000000000000	31-01-144062
Fc1cc2C(=Cc3[nH]c4CCCN(CC(O)NC5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_72261524	468.521	SMOCGPAAKHXOJR-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-144063
CC(C(C(=O)NC1Cc2cnsc2CNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21110234,PC-id_138731076	468.522	CSKPCPRAYNUDSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144064
CC(C(C(=O)NC1Cc2scnc2CNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138730239,SCHEMBL21109391	468.522	KJIHCBDQTCQFOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144065
CC(C(C(=O)NC1Cc2sncc2CNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	PC-id_138730965,SCHEMBL21110123	468.522	HJKJIIUGTRHQRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144066
c1(N(=O)=O)nn(c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1)Cc1ccccc1	MCULE-6944821106,EMOLS-id_9986324,TIMTEC173981,PC-id_16761217,CoCoCo_1755053,ZINC22_9968816	468.525	GNUYAAZSKHYKCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144067
CC(=O)Nc1cc(NC(=O)C)cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1	CoCoCo_3084165,ZINC22_20853115,EMOLS-id_19385596,PC-id_24371686,MCULE-3001222985	468.525	AKDPQNALCBXHFI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144068
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(N2CCCC2)cc1)C#N	PC-id_41636648	468.525	ATJKLVIKJMZUQW-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-144069
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(N2CCCC2)ccc([N+](=O)[O-])c1)C#N	PC-id_24381252	468.525	MJXXWPOAMPEJRM-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-144070
Cc1c([nH]c2c1C(=O)N(CCC2)C[C@@H](CN1CCOCC1)O)/C=C
/c2cc(ccc2NC1=O)F	CHEMBL1277072,SCHEMBL13415507,DB13019,GRAC-id_9930,PC-id_25116064,PD058303,BindingDB_PC-id_25116064	468.529	MCTXSDCWFQAGFS-UEXNTNOUSA-N	00000010100010100101000000001010000000000000000000000000	31-01-144071
CCOc1cc(Cc2cc3-c(c2)ccccc3)cc(c1OCC)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	SCHEMBL14590136,PC-id_58786203	468.539	BPLCDIWIZYMPOW-NUPXYHBHSA-N	00000010100010110110100000000010000000000000000000000000	31-01-144072
O1C(C(O)C(O)C(O)C1CO)c1c(OCC)c(OCC)cc(c1)Cc1cc2-c(c1)ccccc2	PC-id_72423687	468.539	BPLCDIWIZYMPOW-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-144073
Fc1ccc(c(c1)C(=O)N[C@H](c1nnc2n1CC[N@H+](CC2)Cc1cc2c(s1)cccc2)C)F	PC-id_42356335,GD-id_ZINC12021448	468.542	BRFGNUBNNFAYGR-HNNXBMFYSA-O	00000000100000110101000001000010000000000000000000000000	31-01-144074
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(F)ccc(F)c3)C)CC2)cc2c1cccc2	PC-id_42356329	468.542	BRFGNUBNNFAYGR-OAHLLOKOSA-O	00000000100000110101000001000010000000000000000000000000	31-01-144075
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(F)ccc(F)c3)C)CC2)cc2c1cccc2	PC-id_74798844	468.542	BRFGNUBNNFAYGR-UHFFFAOYSA-O	00000000100000110101000001000010000000000000000000000000	31-01-144076
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2ccc(OCCO)cc2)cc1	PC-id_42500621	468.544	JBKAVOLWVMMPPF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144077
C=CC(=C(c1ccc2-c1ccc(cc2)OC)c1ccc2-c1ccc(cc2)OC)/C=C/C=C(C#N)C#N	PC-id_102462728	468.545	OFFOGVRMHCEELN-FNORWQNLSA-N	00000010100000000110000000000010000000000000000000000000	31-01-144078
COc1ccc2-c(cc1)c(cc2)C(c1ccc2-c1ccc(cc2)OC)c1ccc(cc1)C(C#N)C#N	PC-id_102462732	468.545	TZFGKDDYXXDFPZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144079
s1c2CCCCCc2cc1C(=O)OCC(=O)C1C(=[N+](Cc2ccccc2)C(=O)N(C1=O)C)N	PC-id_73266744	468.545	LYPBPIIGSHEEGZ-UHFFFAOYSA-O	00000000100011110101000000000010000000000000000000000000	31-01-144080
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1ccccc1)CCOc1ccccc1	PC-id_134808650	468.547	DJZVRPWIJCQULN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144081
S1(=O)(=O)CCc2c(sc(NC(=O)Cn3nc4n(CCCCC4)c3=O)c2C(=O)OCC)C1	PC-id_55580120	468.547	RXWVQPRBDVNUMP-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-144082
s1c2c(CCCCCC2)c(c1NC(=S)N(Cc1ccccc1)c1ccccc1)C(=O)OCC	PC-id_19678446	478.669	LEHSRUKDMKAGOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147083
COC(=O)/C(=C/C=C(\n1nnc2c1CCCCCC2)/C(=O)OC)/n1nnc2c1CCCCCC2	PC-id_101800622	468.549	IFXBPQYCOITENJ-BMJUYKDLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144083
n12CCN(CCc1nnc2CNC(=O)c1ccccn1)Cc1ccc(cc1)OCc1ccccc1	CoCoCo_1373580,MCULE-4845753592,EMOLS-id_20570235,PC-id_26343824,CoCoCo_1373581,ZINC22_14989222	468.55	XIZCEZCBFOQPCI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-144084
n12CCN(CCc1nnc2CNC(=O)c1ccccn1)Cc1cccc(c1)OCc1ccccc1	EMOLS-id_20569863,ZINC22_14989077,MCULE-4893153869,PC-id_26343676,CoCoCo_1372951,CoCoCo_1372952	468.55	QVTIJWJDJGWTLJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-144085
CCN1CCC(=NO)c2c(C1=O)n(cc2)CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F	PC-id_88525362,SCHEMBL9041369	468.564	PCGFITWNDQJCAN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144086
CCN1CC/C(=N/O)/c2c(C1=O)n(CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)cc2	PC-id_100955396	468.564	PCGFITWNDQJCAN-NFFVHWSESA-N	00000000100010110100000000000010000000000000000000000000	31-01-144087
CO/N=C
/CCN(C(=O)c2c1ccn2CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)C	PC-id_100955390	468.564	CXDBCVGRVJJREX-NFFVHWSESA-N	00000000100010110100000000000010000000000000000000000000	31-01-144088
CON=C1CCN(C(=O)c2c1ccn2CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)C	PC-id_85200742,SCHEMBL9039968	468.564	CXDBCVGRVJJREX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144089
Fc1ccc(C(=O)C2CCN(CC2)CCCCCn2c3c(cc2)/C(=N/O)/CCN(C3=O)C)cc1	PC-id_10671984	468.564	KZBLNPMHEBWXCW-WEMUOSSPSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144090
Fc1ccc(C(=O)C2CCN(CC2)CCCCCn2c3c(cc2)C(=NO)CCN(C3=O)C)cc1	PC-id_85227125,SCHEMBL9041080	468.564	KZBLNPMHEBWXCW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144091
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(cc2)/C(=N/OC)/CCN(C3=O)C)cc1	PC-id_10600375	468.564	CXDBCVGRVJJREX-WEMUOSSPSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144092
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(cc2)/C(=N/O)/CCN(C3=O)CC)cc1	PC-id_9825875	468.564	PCGFITWNDQJCAN-WEMUOSSPSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144093
O/N=C
/CCN(C(=O)c2c1ccn2CCCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)C	PC-id_100955394	468.564	KZBLNPMHEBWXCW-NFFVHWSESA-N	00000000100010110100000000000010000000000000000000000000	31-01-144094
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1cc(cc(c1)C)C)C)C(=O)OC	PC-id_19444288	468.565	MNKJPRWVZAZPQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144095
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1c(ccc(c1)C)C)C)C(=O)OC	PC-id_19444731	468.565	MRZNLHSGIXFVEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144096
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1cc(c(cc1)C)C)C)C(=O)OC	PC-id_19445032	468.565	KAYZCTFOALQMMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144097
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1c(cc(cc1)C)C)C)C(=O)OC	PC-id_19484210	468.565	BTSJUHRAZLXQRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144098
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1c(cccc1C)C)C)C(=O)OC	PC-id_19486106	468.565	QSFGDLZEFIQRGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144099
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1c(c(ccc1)C)C)C)C(=O)OC	PC-id_19490477	468.565	RFXQLDHZWWSGLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144100
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)/C=C/c1cc(OC)c(OCC)cc1)C)C#N	PC-id_55421122	468.565	MLJDRUDTRVYBOD-ACCUITESSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144101
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=Cc1cc(OC)c(OCC)cc1)C)C#N	PC-id_76236428	468.565	MLJDRUDTRVYBOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144102
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CCCc1c2c([nH]c1)cccc2)C(=O)OC	PC-id_5039092	468.565	MLMLMIHEIUNZAN-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-144103
O=C(c1ccccc1c1ccccc1)Nc1ccc(c(c1)O)C(=O)N1CCCCc2c1ccs2	PC-id_139750483	468.567	RZKBPOAKQKCAJJ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-144104
O=C(c1ccccc1Oc1ccccc1)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709966	468.567	DUPKZXXALQXMNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144105
O=C(Nc1ccc(C(=O)N2CCCCc3sccc23)cc1O)c1ccccc1c1ccccc1	PC-id_11397211,BindingDB_PC-id_11397211,CHEMBL369150	468.567	VEPHBJSUUHDIPP-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-144106
c1(c2CCCCCCc2sc1NC(=O)c1ccnn1C)C(=O)Nc1c(OC)ccc(OC)c1	TIMTEC506583,MCULE-2388349968,EMOLS-id_4151660,PC-id_17371807,CoCoCo_6806337,ZINC22_20427516	468.569	VOVCAGFYQAFEPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144107
COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc3c(s2)CCCCC3)c(=O)[nH]c1=O	PC-id_16231895,CoCoCo_3269984,ZINC22_9125705,EMOLS-id_43828234,MCULE-3039235514	468.569	RGPDKXOXZPCJNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144108
COCCN(C(=O)c1cc2c(s1)CCCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	CoCoCo_3270837,PC-id_16255895,EMOLS-id_3511166,MCULE-6429178839,ZINC22_9173162	468.569	IVNVCLSKENOKDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144109
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1)CCO	PC-id_42421409	468.569	IXQBJMDYIJYJDS-OAQYLSRUSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144110
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1)CCO	PC-id_42421413	468.569	IXQBJMDYIJYJDS-NRFANRHFSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144111
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1OC)C	PC-id_42237119	468.569	MMHLLXVRQTYXFN-LJQANCHMSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144112
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1OC)C	PC-id_42237122	468.569	MMHLLXVRQTYXFN-IBGZPJMESA-O	00000000101000110101000000000010000000000000000000000000	31-01-144113
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1O)CC	PC-id_42428985	468.569	TVDCOWKPGPZJHR-LJQANCHMSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144114
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1O)CC	PC-id_42428986	468.569	TVDCOWKPGPZJHR-IBGZPJMESA-O	00000000101000110101000000000010000000000000000000000000	31-01-144115
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)cc(OC)c1)C	PC-id_26347271	468.569	FWMQSGNHWDBTLF-OAQYLSRUSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144116
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)cc(OC)c1)C	PC-id_26347274	468.569	FWMQSGNHWDBTLF-NRFANRHFSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144117
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)ccc1)CCO	PC-id_74801894	468.569	IXQBJMDYIJYJDS-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144118
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)ccc1OC)C	PC-id_74784629	468.569	MMHLLXVRQTYXFN-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144119
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)ccc1O)CC	PC-id_74802458	468.569	TVDCOWKPGPZJHR-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144120
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)cc(OC)c1)C	PC-id_74499061	468.569	FWMQSGNHWDBTLF-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144121
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)c(OC)ccc1)C	PC-id_42438156	468.569	DFSMCDVSKBUJMG-LJQANCHMSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144122
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)c(OC)ccc1)C	PC-id_42438162	468.569	DFSMCDVSKBUJMG-IBGZPJMESA-O	00000000101000110101000000000010000000000000000000000000	31-01-144123
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3oc(cc3)COC)CC(C)C)CC2)cccc1	PC-id_42467241	468.569	OTROSWWOSMWTOF-FQEVSTJZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144124
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3oc(cc3)COC)CC(C)C)CC2)cccc1	PC-id_42467244	468.569	OTROSWWOSMWTOF-HXUWFJFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144125
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)c(OC)ccc1)C	PC-id_74803530	468.569	DFSMCDVSKBUJMG-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144126
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3oc(cc3)COC)CC(C)C)CC2)cccc1	PC-id_74806086	468.569	OTROSWWOSMWTOF-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144127
s1c2CCCCCc2cc1C(=O)Nc1n(CCOC)c(=O)[nH]c(=O)c1NCc1ccccc1	PC-id_56323714	468.569	LIGWJNYZYHHUFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144128
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CC(NC(=O)N)c1c(cccc1)C)C)C#N	PC-id_55601651	468.569	BEVCVNUYFYVTAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144129
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1onc(n1)c1ccc(OCC)cc1	PC-id_46578356	468.569	NOBGHRBKDMEVMB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144130
s1c2CCCCCCc2cc1C(=O)NNC(=O)CN1C(=O)N(CCC1=O)Cc1ccccc1	PC-id_74286714	468.569	IBEFNFPCBOGVMK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144131
O(c1cc(C[NH+]2CCn3c(nnc3CNC(=O)Cc3ccccc3)CC2)ccc1)c1ccccc1	PC-id_42451497	468.57	PWIFVTSZCCGUNF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144132
O=C1CN(Cc2ccccc2)C(=O)c2c(N1Cc1ccccc1)nc(s2)NCc1ccccc1	PC-id_142739087	468.57	KRANGPYPRASLKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144133
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)COc1ccccc1	PC-id_42167538	468.57	STPHREFLCWPYOT-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-144134
COc1ccc(cc1)c1noc(n1)CN1CCN(CC1)C(=O)Nc1nc2c(s1)CCCCC2	PC-id_112825127	468.572	IDLYGJNJEUUBPQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144135
s1c(C(=O)NCc2n3CCCCCc3nn2)ccc1C(=O)NCc1n2CCCCCc2nn1	PC-id_60451358	468.575	YIMLVXRCKUZIGE-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-144136
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc(OC(F)F)cc1)C)C(=O)OCC	PC-id_20173971	468.58	KZTSRTPULWDXME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144137
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC(F)F)ccc(c1)C)C(=O)OCC	PC-id_19711616	468.58	MTUYGHWQYNNMLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144138
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(OC(F)F)cc(cc1)C)C(=O)OCC	PC-id_20172122	468.58	IJRODWHLLSUCHK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144139
Cc1c2-c(c(cc2S(=O)(=O)OS(=O)(=O)c2c3-c(ccccc3)cc2)C)cc(cc1)C(C)C	PC-id_91154570	468.585	HVBUBJVSBDZBOM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-144140
CCCc1cc(c2-c1ccc(cc2)C(C)C)S(=O)(=O)NCCc1ccc(cc1)OCC(=O)[O-]	GD-id_ZINC13826241	468.585	BBSNOGQRNQKZRL-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-144141
[O-]C(=O)COc1ccc(cc1)CCNS(=O)(=O)c1cc(c2-c1ccc(cc2)C(C)C)C(C)C	GD-id_ZINC13826243	468.585	YTWHOMONEMAZLX-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-144142
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CC)CC	SCHEMBL9335614,PC-id_19102919	468.587	RCMXQWALUQBUPI-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-144143
CCCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C)C	SCHEMBL9339152,PC-id_19102853	468.587	UAQWOPFCUFVPJS-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-144144
CC(=O)c1ccc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c(F)c1	CoCoCo_4235486,PC-id_16288225,MCULE-7167845728,EMOLS-id_11702611,CoCoCo_4235485,ZINC22_9204222	468.587	CTVUOZDFRPBLAG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144145
CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c(F)c1	CoCoCo_4235787,ZINC22_58176668,PC-id_40968229,CoCoCo_4235788	468.587	SCRKOEVTUQYPIB-MRXNPFEDSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144146
CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c(F)c1	ZINC22_58176667,PC-id_40968226,CoCoCo_4235786,CoCoCo_4235785	468.587	SCRKOEVTUQYPIB-INIZCTEOSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144147
N#Cc1c(NC(=O)C(N2CCN(CC2)c2ccc(cc2F)C(=O)C)C)sc2c1CCCCC2	MCULE-8108889236,EMOLS-id_11777911,PC-id_16337267	468.587	SCRKOEVTUQYPIB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144148
O=c1c(cc2n(c(nc2cc1CC)CCCC)Cc1c(c(ccc1)c1ccccc1)C(=O)O)CC	PC-id_19822337	468.587	ZVNUMDYTNNPWCP-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-144149
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)c1cc(F)c(cc1)C)C#N	PC-id_52677792	468.587	AREZEPXZNIXKRY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144150
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)Cc1ccc(F)cc1)C#N	PC-id_55648648	468.587	SNMQNXUNQXKSGF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144151
COc1ccc(cc1)Cn1cc2c(n1)N(CCCC2=O)CC1CCN(CC1)C(=O)OC(C)(C)C	SCHEMBL370595,PC-id_66669006	468.588	CEVKHGWNLDUGBX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144152
COc1ccc(cc1)Cn1nc2c(c1)C(=O)CCCN2CC1CCN(C(C1)C(C)(C)C)C(=O)O	SCHEMBL370594,PC-id_66669005	468.588	NGNHXLUYMLMWNJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144153
OCCCC1CCc2nc(n(c2C(=O)N(C1=O)CC)Cc1ccc(cc1)O)NC1CCCCC1	PC-id_143232042	468.588	NXESWGUAOOUWKI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144154
O(C[C@@H](O)[C@@H]1NCCCCc2n(nnc2)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_57338532	468.59	WRLFBDAZJPDONG-VSGBNLITSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144155
O(CC(O)C1NCCCCc2n(nnc2)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_76515702	468.59	WRLFBDAZJPDONG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144156
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(OC)c(OC)c1)C(C)C)C	PC-id_74808102	468.59	UTLQRSLGRBASAA-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144157
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1OC)C(C)C)C	PC-id_74799735	468.59	ICPBTIURSFBGRZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144158
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)c(OC)c1)C(C)C)C	PC-id_74813652	468.59	OVZIAZLZLCBVMX-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144159
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1c(OC)c(OC)c(OC)cc1)C(C)C)C	PC-id_74807205	468.59	AGEBXNPTHWWASA-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144160
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(OC)c(OC)c1)C(C)C)C	PC-id_42499815	468.59	UTLQRSLGRBASAA-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-144161
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(OC)c(OC)c1)C(C)C)C	PC-id_42499817	468.59	UTLQRSLGRBASAA-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144162
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1OC)C(C)C)C	PC-id_42367109	468.59	ICPBTIURSFBGRZ-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144163
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)cc1OC)C(C)C)C	PC-id_42367116	468.59	ICPBTIURSFBGRZ-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144164
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)c(OC)c1)C(C)C)C	PC-id_42539088	468.59	OVZIAZLZLCBVMX-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144165
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)c(OC)c1)C(C)C)C	PC-id_42539092	468.59	OVZIAZLZLCBVMX-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144166
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)c(OC)c(OC)cc1)C(C)C)C	PC-id_42481621	468.59	AGEBXNPTHWWASA-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144167
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)c(OC)c(OC)cc1)C(C)C)C	PC-id_42481623	468.59	AGEBXNPTHWWASA-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144168
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)CCC(=O)c3ccccc3)CCn12	PC-id_45169827,EMOLS-id_20397440,MCULE-1104419750,ChEMBL-DNDi_CHEMBL11281100	468.592	JDVFQNIUIMIMFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144169
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)CCC(=O)c1ccccc1)CC2	PC-id_42248382,CoCoCo_1128358,ZINC22_11882302	468.592	JDVFQNIUIMIMFW-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144170
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)CCC(=O)c1ccccc1)CC2	ZINC22_11882301,CoCoCo_1128357,PC-id_42248380	468.592	JDVFQNIUIMIMFW-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144171
CCN(CC)CCNC(=O)CCNC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	EMOLS-id_25388008,MCULE-9195370107,PC-id_46049757	468.592	NZLIMMIRXRTQON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144172
CCN(CC)CCNC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccccc3C)CCCn2n1	EMOLS-id_25387144,PC-id_46049768,MCULE-7718413602	468.592	YEDZYJMXXOIYNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144173
CCN(CC)CCNC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	MCULE-5505308138,PC-id_46049733,EMOLS-id_25388448	468.592	NGBCYOKDOBIYBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144174
CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CCC(=O)Nc1ccc(cc1)C(=O)N	GD-id_ZINC29520379	468.592	QNSBRKPLDGGPTO-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-144175
COc1ccc(cc1)Cc1nnc(o1)SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	EMOLS-id_11803153,MCULE-5728476935,PC-id_16358607	468.592	ILCRLESUMRGXMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144176
COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1	CoCoCo_4180852,PC-id_41111691,ZINC22_9531155	468.592	ILCRLESUMRGXMB-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144177
COc1ccc(Cc2nnc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1	PC-id_41111687,ZINC22_9531152,CoCoCo_4180851	468.592	ILCRLESUMRGXMB-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144178
N#Cc1c(NC(=O)[C@H](Sc2nnc(o2)COc2cccc(c2)C)C)sc2c1CCCCC2	CoCoCo_4175005,PC-id_41249928	468.592	UXDJNKMTQCHNRL-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144179
N#Cc1c(NC(=O)[C@@H](Sc2nnc(o2)COc2cccc(c2)C)C)sc2c1CCCCC2	CoCoCo_4175006,PC-id_41249924	468.592	UXDJNKMTQCHNRL-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144180
N#Cc1c(NC(=O)C(Sc2nnc(o2)COc2cccc(c2)C)C)sc2c1CCCCC2	EMOLS-id_11804295,MCULE-2564527442,PC-id_16359773	468.592	UXDJNKMTQCHNRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144181
N#Cc1c(NC(=O)CSc2nnc(o2)COc2cc(C)ccc2C)sc2c1CCCCC2	PC-id_112786897	468.592	HKHPGLSNSAXTAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144182
O=c1n2CCCCCc2nn1CC(=O)NC(CCCC)C(=O)Nc1cc(N2CCCC2)ccc1	PC-id_56343456	468.592	TYWIBXOOAVITDA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-144183
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NCCN(C)C)Cc1ccccc1	PC-id_46159904	468.592	ADRMSKKXCYFBLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144184
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCCN(C)C)CC)Cc1ccc(cc1)C	PC-id_46049697	468.592	IOGLGQIEAAZBEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144185
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCCN(CC)CC)Cc1ccc(cc1)C	PC-id_46049710	468.592	FDVNDTNTUJQXJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144186
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCCN(CC)CC)Cc1c(cccc1)C	PC-id_46049787	468.592	CQQAKWZIJMLGCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144187
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCCN(C)C)CC)Cc1cc(ccc1)C	PC-id_46159927	468.592	ZRVQAEHXUKJTFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144188
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN(CC)CC)C)Cc1ccc(cc1)C	PC-id_46049662	468.592	BVVZXCROWIEXIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144189
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN(CC)CC)C)Cc1cc(ccc1)C	PC-id_46049721	468.592	YVIUWTWSTJZOMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144190
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN(CC)CC)C)Cc1c(cccc1)C	PC-id_46159933	468.592	BSUDCVNLGPMCAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144191
C1CCc2nnc(n2CC1)/C(=C(/CN1CCN(CC1)C(c1ccccc1)c1ccccc1)O)/C#N	PC-id_135687126	468.593	HVYHBOWIIORWKH-IZHYLOQSSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144192
O=C(CN1CCN(CC1)C(c1ccccc1)c1ccccc1)/C(=C
/N2CCCCCC2=NN1)/C#N	PC-id_16377012	468.593	IETCFZFXYJHXBI-ZZIIXHQDSA-N	00000011000010110111000000000010000000000000000000000000	31-01-144193
O=C(CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=C1N2CCCCCC2=NN1)C#N	PC-id_73253132	468.593	IETCFZFXYJHXBI-UHFFFAOYSA-N	00000011000010110111000000000010000000000000000000000000	31-01-144194
COc1ccc(cc1)Cn1nnnc1SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	EMOLS-id_3687115,PC-id_16335493,MCULE-1535614299	468.595	ZNNFMDSCROMXRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144195
COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	CoCoCo_4237551,PC-id_40988418,ZINC22_9257308	468.595	ZNNFMDSCROMXRU-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144196
COc1ccc(Cn2nnnc2S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	PC-id_40988420,CoCoCo_4237552,ZINC22_9257310	468.595	ZNNFMDSCROMXRU-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144197
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(nnn1)c1c(OC)ccc(c1)C)C)C#N	PC-id_55419440	468.595	NQXCVKROSYZVRS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144198
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(nnn1)c1c(OCC)cccc1)C)C#N	PC-id_24496563	468.595	CGYMMVITIVVZMB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144199
s1c2c(CCCCC2)c(c1NC(=O)C1CCN(CC1)C(=O)CCc1ccccc1)C(=O)OC	PC-id_52638623	468.608	UPJPZAFHZKKZJU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144200
CCOC(=O)Cc1csc(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)n1	PC-id_4257513,MCULE-4132135571,CoCoCo_3115694,ZINC22_8824677,EMOLS-id_11670198	468.61	JCYHBEOKNIWKNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144201
O=C(c1cc2c(s1)CCCCC2)Nc1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)C1	MCULE-1268555309,EMOLS-id_11978031,PC-id_17555347	468.61	YIKKZBFCTDEPTC-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-144202
O=C(Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1cc2c(s1)CCCCC2	CoCoCo_3967103,PC-id_40795180,ZINC22_8719519	468.61	YIKKZBFCTDEPTC-MRXNPFEDSA-N	00000010100000110100000000000010000000000000000000000000	31-01-144203
O=C(Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1cc2c(s1)CCCCC2	CoCoCo_3967104,PC-id_40795181,ZINC22_8719520	468.61	YIKKZBFCTDEPTC-INIZCTEOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-144204
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1sccc1	PC-id_16830748	468.61	VUWTVHYRFJXMKW-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-144205
N#Cc1c(NC(=O)COC(=O)/C(=C/c2cccs2)/c2cccs2)sc2c1CCCCC2	CoCoCo_2976253,ZINC22_3319566,PC-id_2435298	468.611	FPFFQQKTAYSFMT-SFQUDFHCSA-N	00000000100100000100000000000010000000000000000000000000	31-01-144206
N#Cc1c(NC(=O)COC(=O)/C(=Cc2cccs2)/c2cccs2)sc2c1CCCCC2	CoCoCo_2976254	468.611	FPFFQQKTAYSFMT-ATVHPVEESA-N	00000000100100000100000000000010000000000000000000000000	31-01-144207
N#Cc1c(NC(=O)COC(=O)C(=Cc2cccs2)c2cccs2)sc2c1CCCCC2	MCULE-3807231112,PC-id_4675141,EMOLS-id_43740766	468.611	FPFFQQKTAYSFMT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-144208
c1(NC(=O)CCC(=O)Nc2ccc(cc2)NC(=O)C2CCCCC2)sc2c(CCCCC2)n1	MCULE-1349120133,EMOLS-id_335134341	468.612	ZMYNLMPJZJVBSR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144209
c1(sc2c(CCCCC2)n1)NC(=O)[C@H](Cc1c2ccccc2n(C)c1)NC(=O)OC(C)(C)C	EMOLS-id_323401951,MCULE-5803496359	468.612	GIWZSYRGZWJOHL-IBGZPJMESA-N	00000000100000100101000001100010000000000000000000000000	31-01-144210
COc1ccc(cc1OC)CCn1c(C)cc(c1C)/C(=C/Sc1nnc2n1CCCCC2)/O	CoCoCo_3081589,CoCoCo_3081592	468.612	JXIMOUOFPCSVRQ-PGMHBOJBSA-N	00000000110000110101000000000010000000000000000000000000	31-01-144211
COc1ccc(cc1OC)CCn1c(C)cc(c1C)/C(=CSc1nnc2n1CCCCC2)/O	CoCoCo_3081590,CoCoCo_3081591	468.612	JXIMOUOFPCSVRQ-LTGZKZEYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-144212
COc1ccc(CCn2c(C)cc(C(=O)CSc3nnc4n3CCCCC4)c2C)cc1OC	EMOLS-id_11715125,CoCoCo_3081588,MCULE-1725545392,PC-id_16295364,ZINC22_9831992	468.612	QRLBBDFOBRTUFL-UHFFFAOYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-144213
COCC(=O)N[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(cc1)C#CC(O)(C)C)CC(C)C	GD-id_ZINC11814116,PC-id_42190562	468.612	XNBVLIGFYCGBDD-JOCHJYFZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144214
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C#CC(O)(C)C)CC(C)C)COC	PC-id_74777589	468.612	XNBVLIGFYCGBDD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144215
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C#CC(O)(C)C)CC(C)C)COC	PC-id_42190559	468.612	XNBVLIGFYCGBDD-QFIPXVFZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144216
s1c2c(CCCCC2)cc1C(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CCCC	PC-id_74269586	468.612	PUCCOYZUDJKKGR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144217
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(OC)c(OC)cc1)C#N	PC-id_33074259	468.612	NRMOBTGPBNBWIR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144218
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)CCOc1ccc(OC)cc1)C#N	PC-id_24446421	468.612	KKZNDKWBSWAPBQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144219
C=C=C(N1CCc2c(CC1)c(c(s2)NCOC/C=C/c1ccccc1)C#N)Cc1ccccn1	PC-id_143148308	468.613	MWNQHVJQVFYSCH-DHZHZOJOSA-N	00000000100000111100000000000010000000000000000000000000	31-01-144220
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)CC)nn1)C(=O)OCC	PC-id_24158457	468.613	PMFWJAYHANNUGO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144221
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(nn1)NC(=O)C)C)C(=O)OCC	PC-id_23909944	468.613	IGFBERKWAQBBIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144222
CC1(COCCCCCOCC2(C)COc3c(OC2)csc3)COc2c(OC1)csc2	PC-id_102186114	468.627	FDKTYMZCPURHBA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144223
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCC4=C(CCCC4(C)C)C)CCc3nn2)cc1	PC-id_26361895,GD-id_ZINC15006775	468.63	HFUXHPUCSRHZMV-UHFFFAOYSA-O	00000000100011110101000000000010000000000000000000000000	31-01-144224
c1(c2CCCCCc2sc1NCc1sccc1C)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_3605832,MCULE-2072328760,CHEMBL1515766,EMOLS-id_16406302,CoCoCo_2720548	468.631	ASLDPTTZEAXEDC-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-144225
CC(=O)N(c1nc(COC(=O)c2cc3c(s2)CCCCC3)cs1)c1c(C)cc(C)cc1C	ZINC22_13041261,PC-id_25688319,EMOLS-id_24166627,CoCoCo_2861313,MCULE-5359526538	468.631	DEAHIGNDBZTIEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144226
Cc1c(cc(cc1)N1CCN(CC1)C/C(=C/C=C(C)C)/C)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478313	468.633	MNZRPKOABGLGNV-PIWUYVEXSA-N	00000010100010110111100000000010000000000000000000000000	31-01-144227
C/C(=CC=C(C)C)/CN1CCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077153	468.633	MNZRPKOABGLGNV-VIWLAJBGSA-N	00000010100010110111100000000010000000000000000000000000	31-01-144228
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(CCn12)C(=O)c1ccc(cc1)CC(C)C	EMOLS-id_20410712,MCULE-2474055811,PC-id_45172903	468.635	HWKUDELMGMXAPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144229
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(CCn12)C(=O)c1ccc(cc1)C(C)(C)C	PC-id_45184812,EMOLS-id_20462251,MCULE-4850918264	468.635	SDKQMZNBBPIRFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144230
CC(C)Cc1ccc(C(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1	CoCoCo_1145932,ZINC22_12098498	468.635	HWKUDELMGMXAPZ-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144231
CC(C)Cc1ccc(C(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1	ZINC22_12098497,CoCoCo_1145931	468.635	HWKUDELMGMXAPZ-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144232
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)c1ccc(C(C)(C)C)cc1)CC2	CoCoCo_1217208,ZINC22_14889199	468.635	SDKQMZNBBPIRFM-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144233
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)c1ccc(C(C)(C)C)cc1)CC2	CoCoCo_1217209,ZINC22_14889201	468.635	SDKQMZNBBPIRFM-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144234
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(Cn2nc(cc2C)C)cc1)C(=O)OC	PC-id_20168971	468.635	OTDSKYNQPZNYJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144235
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(Cn2nc(cc2C)C)ccc1)C(=O)OC	PC-id_20171783	468.635	UBTXPBUASHUHSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144236
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1c(cccc1)C)C(=O)OCC	PC-id_19679631	468.635	CRSOUQQXHCRNJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144237
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccc(cc1)C)C(=O)OCC	PC-id_20168883	468.635	LBZZQZBVGRVCSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144238
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccccc1)C)C(=O)OC	PC-id_19677978	468.635	POEURJIAYUVZCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144239
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(cc2)C)cc1)C(=O)OCC	PC-id_19677013	468.635	JNPKIDJZOFQRJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144240
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2c(cccc2)C)cc1)C(=O)OCC	PC-id_19677283	468.635	VBACVBLVXIPRIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144241
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(Cn2nccc2)cc1)C(=O)OCC	PC-id_20170664	468.635	UNIYMKZTXGKOJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144242
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(Cn2nccc2)ccc1)C(=O)OCC	PC-id_20171608	468.635	RHNXQSCOFJVJFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144243
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1c(cccc1)C)C(=O)OC	PC-id_19679624	468.635	ZJTMVSATDKTXGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144244
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccc(cc1)C)C(=O)OC	PC-id_20168876	468.635	VJHGKTGEBKJSAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144245
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccccc1)C(=O)OCC	PC-id_20167825	468.635	LRPOXPAAGWNYCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144246
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2ccccc2)cc1)C(=O)OCC	PC-id_20171020	468.635	JXJUMLNEEUXEAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144247
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(cc2)C)cc1)C(=O)OC	PC-id_19677006	468.635	JXZQTKRXPSWGBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144248
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2c(cccc2)C)cc1)C(=O)OC	PC-id_19677276	468.635	LHQSFSLCBRBSMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144249
s1c2c(CCCCCC2)c(c1NC(=S)NCc1ccc(n2nccc2)cc1)C(=O)OCC	PC-id_20170338	468.635	HJHYEQPKIGYHBF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144250
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C(C)C)C	PC-id_74794930	468.635	IPFMQGHJRJCZLR-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-144251
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C(C)C)C	PC-id_74801606	468.635	VRKFQQREZHYTFW-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-144252
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)CC(c1ccccc1)c1ccccc1)C(C)C)C	PC-id_74799570	468.635	YREAIRXFUUFJBP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144253
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C(C)C)C	PC-id_42398607	468.635	IPFMQGHJRJCZLR-XMMPIXPASA-O	00000000100000110101100000000010000000000000000000000000	31-01-144254
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C(C)C)C	PC-id_42398608	468.635	IPFMQGHJRJCZLR-DEOSSOPVSA-O	00000000100000110101100000000010000000000000000000000000	31-01-144255
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C(C)C)C	PC-id_42418462	468.635	VRKFQQREZHYTFW-XMMPIXPASA-O	00000000100000110101100000000010000000000000000000000000	31-01-144256
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C(C)C)C	PC-id_42418465	468.635	VRKFQQREZHYTFW-DEOSSOPVSA-O	00000000100000110101100000000010000000000000000000000000	31-01-144257
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)CC(c1ccccc1)c1ccccc1)C(C)C)C	PC-id_42365760	468.635	YREAIRXFUUFJBP-XMMPIXPASA-O	00000000100000110101000000000010000000000000000000000000	31-01-144258
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)CC(c1ccccc1)c1ccccc1)C(C)C)C	PC-id_42365762	468.635	YREAIRXFUUFJBP-DEOSSOPVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144259
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC)C#N	PC-id_17303707	468.638	UDJHISBKTILJAX-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-144260
CCCCCCC(=O)OCC1(COC(=O)CCCCCC)COc2c(OC1)c(sc2C)C	PC-id_57857289,SCHEMBL13104065	468.646	CXUDGDGLZIQZFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144261
CCCCC(COC1(OCC(CCCC)CC)COc2c(OC1)c(sc2C=O)C=O)CC	PC-id_102155703	468.646	OHMCUCGLRMRYCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144262
s1c2c(CCCCCCCCCC2)c(c1NC(=O)Cc1ccccc1)C(=O)N1CCOCC1	PC-id_23993105	468.651	DTIZMNNUEAMSEV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144263
c1(NC(=O)C(=Cc2ccccc2)c2ccccc2)sc2c(CCCCCCCCCC2)c1C#N	MCULE-9261761221,PC-id_4134329	468.653	SVDQWWNWZPFSAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144264
N#Cc1c(NC(=O)/C(=C/c2ccccc2)/c2ccccc2)sc2c1CCCCCCCCCC2	EMOLS-id_25982991,TIMTEC460262,SPECS-id_AK-968/41926836,CoCoCo_6597578,TIMTEC460261,PC-id_6522432,ZINC22_2766890	468.653	SVDQWWNWZPFSAO-YYADALCUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144265
N#Cc1c(sc2c1CCCCCCCCCC2)NC(=O)/C(=Cc1ccccc1)/c1ccccc1	CoCoCo_6597579	468.653	SVDQWWNWZPFSAO-QLYXXIJNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144266
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(Sc2ccccc2)cccc1)C(=O)OC	PC-id_19677694	468.655	PXDLPXMFWCHYLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144267
s1c(NC(=O)[C@@H]([NH+]2CCN(CC2)c2[nH+]c(nc(c2)C)C(C)C)C)c(c2c1CCCCC2)C#N	PC-id_51689627	468.658	DVQNOWAUWUCLLC-SFHVURJKSA-P	00000000100010100101100000000010000000000000000000000000	31-01-144268
s1c(NC(=O)[C@H]([NH+]2CCN(CC2)c2[nH+]c(nc(c2)C)C(C)C)C)c(c2c1CCCCC2)C#N	PC-id_51689628	468.658	DVQNOWAUWUCLLC-GOSISDBHSA-P	00000000100010100101100000000010000000000000000000000000	31-01-144269
s1c(NC(=O)C([NH+]2CCN(CC2)c2[nH+]c(nc(c2)C)C(C)C)C)c(c2c1CCCCC2)C#N	PC-id_75695332	468.658	DVQNOWAUWUCLLC-UHFFFAOYSA-P	00000000100010100101100000000010000000000000000000000000	31-01-144270
s1c(NC(=O)C[NH+]2C(CCCC2)CC)c(c2c1CCCCC2)C(=O)Nc1c(CC)cccc1	PC-id_74514452	468.675	DVBZFHSOURXFBV-UHFFFAOYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-144271
s1c(NC(=O)C[NH+]2[C@@H](CCCC2)CC)c(c2c1CCCCC2)C(=O)Nc1c(CC)cccc1	PC-id_26875422	468.675	DVBZFHSOURXFBV-HXUWFJFHSA-O	00000000100010110100000000000010000000000000000000000000	31-01-144272
s1c(NC(=O)C[NH+]2[C@H](CCCC2)CC)c(c2c1CCCCC2)C(=O)Nc1c(CC)cccc1	PC-id_26875424	468.675	DVBZFHSOURXFBV-FQEVSTJZSA-O	00000000100010110100000000000010000000000000000000000000	31-01-144273
s1c2CCCCCc2c(c1NC(=O)C(Nc1ccc(CCN2CCSCC2)cc1)C)C#N	PC-id_56209698	468.678	INVPJMBRJKMHEK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144274
CC(CCc1cc(c2-c1c(C)ccc(c2)C(C)C)C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C	PC-id_101171606	468.756	PYCWKGPPPRIWDS-OHJHEYQASA-N	00000010100011000110000000000010000000000000000000000000	31-01-144275
O=C1CCC(=O)OCn2c(c(O1)c(C)n2)Cn1ncc(c1)c1ccc(c(c1)C(F)(F)F)Cl	PC-id_140810699	468.814	DKYMEGIFYGPCBL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144276
Clc1c(n2nc(cc2NC(=O)Cn2nc3n(CCCCC3)c2=O)C)cc(cc1)C(F)(F)F	PC-id_55583459	468.86	SIADTRSTWOLKOD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144277
Clc1c(C(=O)Nc2c(C(=O)NCc3n4CCCCCc4nn3)cccc2)ccc([N+](=O)[O-])c1	PC-id_24676691	468.893	RQVMSDZGOYBRFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144278
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1OC)OC)c2)Cc1ccc(cc1)Cl	MCULE-9396490577,EMOLS-id_16324832,PC-id_20964810,CoCoCo_2544646	468.933	AMAXYUVZNOXNJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144279
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OC)c1)OC)c2)Cc1ccc(cc1)Cl	EMOLS-id_16324826,MCULE-9992873879,PC-id_20964807,CoCoCo_2544643	468.933	RXXIINFCYQHDFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144280
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(OC)ccc1OC)c2)Cc1ccc(cc1)Cl	EMOLS-id_16324834,MCULE-3364046142,PC-id_20964811,CoCoCo_2544647	468.933	NDOPEHKKWCSFFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144281
Clc1cc2OCOc2cc1CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	ChEMBL-DNDi_CHEMBL22130235,PC-id_28953793,ZINC22_20449741,CoCoCo_1227236,MCULE-8043459958,CoCoCo_1227237,EMOLS-id_20469147	468.936	NFSHACXPPIKFDA-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-144282
Clc1cc(c2oc(CN3CCn4c(nnc4CNC(=O)C4NC(=O)CC4)CC3)cc2)ccc1	MCULE-2576985146,PC-id_45928705,EMOLS-id_232699858	468.936	OIVCWQLPDWUQED-UHFFFAOYSA-N	00000010101000110101100000000010000000000000000000000000	31-01-144283
Clc1ccc(c2oc(CN3CCn4c(nnc4CNC(=O)C4NC(=O)CC4)CC3)cc2)cc1	PC-id_56854012	468.936	FGROVLNYGHWXKX-UHFFFAOYSA-N	00000010101000110101100000000010000000000000000000000000	31-01-144284
Clc1cc2/C(=C/c3[nH]c4CCCN(CCCN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_70917204,SCHEMBL13480257	468.976	NUANSSHZCUIGIH-CYVLTUHYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-144285
Clc1cc2C(=Cc3[nH]c4CCCN(CCCN5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_77953853	468.976	NUANSSHZCUIGIH-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-144286
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1OCC	MCULE-1006724770,TIMTEC248435,EMOLS-id_2123642,CoCoCo_1731283,PC-id_2267158,ZINC22_2947335	468.996	JSYQZXGCXZDICI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144287
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1ccccc1Cl	CoCoCo_1731332,ZINC22_2967905,SPECS-id_AG-667/13796011,PC-id_2274259,MCULE-6490326391,EMOLS-id_2136065,TIMTEC36371,CK1303444,ChEMBL-DNDi_CHEMBL6241008,Chemmine_28184	468.996	RNNIHGKASIKCGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144288
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)Cl	CoCoCo_5953455,MS2_ST016046,MCULE-3381542753,TIMTEC36373,PC-id_5140291,SPECS-id_AG-667/13796013,ZINC22_8445643,EMOLS-id_8221343	468.996	MUXKMJSAQYITNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144289
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1cccc(Cl)c1	CoCoCo_1731330,ZINC22_8445642,SPECS-id_AG-667/13796012,TIMTEC36372,PC-id_4331005,MCULE-4122018518,CHEMBL1376648,EMOLS-id_8221341	468.996	UBQABKXIGGRIBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144290
c1(NC(=O)C=Cc2ccc(c(OC)c2)OCc2ccc(cc2)Cl)sc2c(CCCCC2)n1	MCULE-2015980100	468.996	DSEJZURULQYPEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144291
COc1cc(/C=C/C(=O)Nc2nc3CCCCCc3s2)ccc1OCc1ccc(Cl)cc1	EMOLS-id_334604404	468.996	DSEJZURULQYPEV-GXDHUFHOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144292
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(cc1)SC)c2)Cc1ccc(cc1)Cl	CoCoCo_2544652,PC-id_20964816,MCULE-4558899599,EMOLS-id_16324844	468.999	NJROCXROAVYOTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144293
Clc1ccc(Cn2nc(c3c2sc(c3)C(=O)NCCc2n3CCCCCc3nn2)C)cc1	PC-id_55501165	469.002	MVUJRELTABUHPS-UHFFFAOYSA-N	00000000100000110101000100000010000000000000000000000000	31-01-144294
Clc1c(Cn2nc(c3c2sc(c3)C(=O)NCCc2n3CCCCCc3nn2)C)cccc1	PC-id_55484006	469.002	IWGFUJSQCOZNMD-UHFFFAOYSA-N	00000000100000110101000100000010000000000000000000000000	31-01-144295
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(OC)cc1OC	PC-id_19676083	469.017	SNNUVHZBNLXAMP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144296
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(OC)cc1OC	PC-id_19676076	469.017	VHLUZJYATOBOTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144297
Clc1c(OC)cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(OC)c1	PC-id_20411394	469.017	OIIOQAFRVLUSCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144298
Clc1c(OC)cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(OC)c1	PC-id_20411389	469.017	FFKKNCQMGJLEDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144299
CCCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(Cl)cc2)CCC	SCHEMBL13449377,PC-id_70905779	469.019	AOMQUGBZXLVSTO-SILNSSARSA-N	00000010100000100100000000001010000000000000000000000000	31-01-144300
Clc1cc2C(=Cc3[nH]c4CCCN(CCN(CCC)CCC)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_77950522	469.019	AOMQUGBZXLVSTO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-144301
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2c(CCN(CC2)C)c1)C(=O)N	PC-id_77997472	469.02	ONSLLUGMTCGQAJ-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-144302
ClC1=CCC(S1)C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1sc2c(CCN(CC2)C)c1)C(=O)N	PC-id_71055955,SCHEMBL14045009	469.02	ONSLLUGMTCGQAJ-NEJHNUGDSA-N	00000011100000000100000000000010000000000000000000000000	31-01-144303
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(n2)CCN(CC3)C)COC)cc1	SCHEMBL3311923,PC-id_68591725	469.02	GUNAJHCHNIEPDV-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-144304
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(n2)CCN(CC3)C)COC)cc1	PC-id_59285227,SCHEMBL3311924	469.02	GUNAJHCHNIEPDV-OLZOCXBDSA-N	00000010100100000101000000000010000000000000000000000000	31-01-144305
CC(CS(=O)(=O)C=Cc1n[nH]c2c1CCCCC2Cc1cc(ccc1)Cl)c1ccccc1	PC-id_90985915	469.039	AYVOFUOJNKHCCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144306
Clc1cc(CC2CCCCc3c2[nH]nc3/C=C/S(=O)(=O)C[C@H](c2ccccc2)C)ccc1	SCHEMBL13745064,PC-id_57814162	469.039	AYVOFUOJNKHCCA-MUEFQPRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144307
Clc1c(n(nc1C)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_20174756	469.064	PTUPCFVSGROZNW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144308
Clc1cn(nc1C)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_20174371	469.064	CJTYWOGGAWDJST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144309
Clc1c(n(nc1C)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC)C	PC-id_20174749	469.064	OHRZCOHIMZLWII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144310
Clc1c(n(nc1)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C	PC-id_20174514	469.064	NPUDYQJOIQKETR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144311
CN1C=C2C(=C1C(NC3=CC(=C(C=C3)F)C#N)O)C=C[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)F	PC-id_154991304	469.138	FEMHOVFYQCAMET-HQOTUVDSSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144312
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)F	PC-id_154991303	469.138	QRESVXBXONUOEG-FNPLBGOPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144313
CC1=C(C=CC(=C1)C(C)N2CCC3=CC(=NN3CC2)NC4=NN=C(S4)NC(=O)C)SC=C	PC-id_154685787	469.172	FTDITEQHPRHJBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144314
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)N=CS2)NC(=O)OCCOCCOC	PC-id_149521136	469.188	ZKTXVCPANSNJPQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144315
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)SN=C2)NC(=O)OCCOCCOC	PC-id_160872018	469.188	SLWOBAPAAXTKCZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144316
CC(C)C(C(=O)CC1CCC2=C(CNC(=O)C1=O)N=CS2)NC(=O)OCCOCCOC	PC-id_161894932	469.188	YEQAFILQYGHQGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144317
CC(C)C(C(=O)CC1CCC2=C(CNC(=O)C1=O)SC=N2)NC(=O)OCCOCCOC	PC-id_147516456	469.188	FKIBEDFEQLLEQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144318
CC(C)CC(C(=O)CC1CC2=NC=C(O2)CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_161186727	469.221	UTEHHIMYLQMPEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144319
CC(C)CC(C(=O)CC1CCC2=COC(=N2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_147375876	469.221	DJZSMGVLFOZDNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144320
CCOCCc1nn2CC[C@H](C(=O)N(c2c1)C)CNC(=O)c1nn(cn1)Cc1ccccc1F	PC-id_164010011	469.224	UQIYPSQTHRCGFQ-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144321
Brc1ccc(C(=O)CO/C(=C(/c2n3CCCCCc3nn2)C#N)/C(F)(F)F)cc1	CoCoCo_3750997,PC-id_2380341,CoCoCo_3751000	469.255	GFNAQAUSOAOLGC-SAPNQHFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-144322
Brc1ccc(C(=O)COC(=C(c2n3CCCCCc3nn2)C#N)C(F)(F)F)cc1	EMOLS-id_26173890,MCULE-8848820396,PC-id_4083889	469.255	GFNAQAUSOAOLGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144323
N#C/C(=C(C(F)(F)F)/OCC(=O)c1ccc(cc1)Br)/c1nnc2n1CCCCC2	CoCoCo_3750999,CoCoCo_3750998	469.255	GFNAQAUSOAOLGC-VKAVYKQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-144324
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3=CC=CC(=C3)C(=O)C	PC-id_147406461	469.258	DPTKWSZEKOAMIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144325
C[C@H]1C(=O)N[C@@H](C2=NC(=NN2CCN(CCCC(=O)N1C)C(=O)C3=CC=CC=N3)C)CC(C)C	PC-id_165424784	469.28	DHKWULXLWNDODC-FXAWDEMLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-144326
O=C(N1CCCn2c(C1)c(F)c(n2)C(=O)O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_117616681,SCHEMBL16129883	469.31	KOOVDFJEHLVLET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144327
COc1ccc(cc1)Cn1c(Br)nc2c1c(=O)[nH]c(nc2=O)[NH2+]Cc1ccccc1	GD-id_ZINC28564704	469.311	QCXVLLDLZFVEOL-UHFFFAOYSA-O	00000000100000110111000000000010000000000000000000000000	31-01-144328
c1(NC(=O)c2ccccc2I)sc2c(CCCCCC2)c1C(=O)OC	PC-id_1748521,TIMTEC102768,ZINC22_2091486,MCULE-5890127877,CoCoCo_6597185,EMOLS-id_5127648,SPECS-id_AK-968/15612413	469.336	CMGUIUKQSLXVSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144329
Ic1cc(c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc1)C	PC-id_16509489	469.336	AHZMUYPUWVEPCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144330
C1CN(Cc2cc(nn2C1)C(=O)N1CCC(CC1)F)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16100496,PC-id_86345795	469.337	MYSBBKFIOOSKBT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144331
c1(NC(=O)CCC(=O)Nc2ccc(cc2)I)sc2c(CCCCC2)n1	EMOLS-id_335145358,MCULE-7665619869	469.34	YQXAYDAUVXLBDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144332
Ic1c(C(=O)NCC(=O)Nc2sc3CCCCCCc3n2)cccc1	PC-id_56021205	469.34	SYNPUQPKMQHRBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144333
Clc1c(COc2c(OC)cc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)ccc(Cl)c1	CoCoCo_3456430,PC-id_25681909	469.363	RUPBERYKADKXJF-WOJGMQOQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144334
Clc1c(COc2c(OC)cc(C=C(c3n4CCCCCc4nn3)C#N)cc2)ccc(Cl)c1	MCULE-6665523847,EMOLS-id_26092945,PC-id_72084732	469.363	RUPBERYKADKXJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144335
COc1cc(ccc1OCc1ccc(cc1Cl)Cl)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3456431	469.363	RUPBERYKADKXJF-WQRHYEAKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144336
Fc1ccc(c(c1)F)Cn1cnc(n1)C(=O)NC1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL19641520	469.368	UPLBLKDCPGROIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144337
Fc1ccc(c(c1)F)Cn1cnc(n1)C(=O)N[C@@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18366901	469.368	UPLBLKDCPGROIG-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144338
Fc1ccc(c(c1)F)Cn1cnc(n1)C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18366902	469.368	UPLBLKDCPGROIG-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144339
s1c2c(CCCCCC2)c(c1NC(=S)N(Cc1ccccc1)Cc1ccccc1)C(=O)OC	PC-id_19653560	478.669	GTGRVNRMRXHNIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147084
O=C1[C@H](CCn2c(N1C)cc(n2)C(F)(F)F)NC(=O)c1ncn(n1)Cc1cccc(c1F)F	SCHEMBL18366878	469.368	SIKJQEMVBRJGDA-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144340
O=C1[C@H](CCn2c(N1C)cc(n2)C(F)(F)F)NC(=O)c1nnc([nH]1)Cc1cccc(c1F)F	SCHEMBL18372968	469.368	AIDDJYVKCIHWPA-NSHDSACASA-N	00000000100000110101000000000010000000000000000000000000	31-01-144341
Clc1ccc(cc1)NC(=O)c1cc(C)ccc1NC(=O)c1sc2c(c1Cl)C=CCC=C2	PC-id_143445899	469.383	BSIIATWZSGAHID-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-144342
Brc1ccccc1C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1	MCULE-4897929835,PC-id_5057835,EMOLS-id_8221381,ZINC22_8445666,SPECS-id_AG-667/37281037,CoCoCo_1731165,TIMTEC36416	469.394	OKYXOFKCHDTKCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144343
Brc1ccc(cc1)NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCC2	PC-id_1725973,ZINC22_2062100,MCULE-6238209700,BAS-00486761,SPECS-id_AG-690/12883431,EMOLS-id_1230957,CoCoCo_81743	469.394	LURMBEKANUTWDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144344
Brc1ccc(NCc2n3c([n+](c2)CC(=O)c2ccc(OC)cc2)CCCCC3)cc1	PC-id_21176643	469.394	HLHCPOJFYCPPCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144345
Clc1ccc(cc1)Cn1c(C)c(c2c1CCCCCC2)C(=O)C(=O)Nc1cccc(c1)Cl	SCHEMBL2011111,PC-id_53244388	469.403	MSKNTKWRZIPGOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144346
Clc1cc(C)c(c(c1)C)N=N/C(=C
/C=C(C)C(=O)C(=C1)Cl)/c1sc2c(c1)C=CCCC2	PC-id_142980783	469.426	STVLORMGSSYOIF-RGNAQJCESA-N	00000000100011110110000000000010000000000000000000000000	31-01-144347
COc1ccc(COC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1F	BindingDB-id_913881,SCHEMBL17112932,PC-id_118394498	469.469	ICVXGVGABINVHF-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-144348
O[C@H](CN(c1cc(F)c(c(c1)F)Nc1ccc2-c(cc1)ccc2)O)CNCSCC(F)F	PC-id_143555344	469.496	GWQICSUGOCSOEM-SFHVURJKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144349
C=CCn1c(=O)c(=Cc2ccc(cc2)OC(F)F)sc1=C(c1nnc2n1CCCCC2)C#N	MCULE-2591573268,EMOLS-id_317341476,PC-id_4152685	469.507	WSCJKEIUPPBZER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144350
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)/c/1=C/c1ccc(OC(F)F)cc1)CC=C	PC-id_2315614	469.507	WSCJKEIUPPBZER-NZMUFIEBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144351
COc1cc(CN2CCc3n(CC2)c(nn3)CNC(=O)Cc2cccc(c2)F)cc(c1O)OC	CoCoCo_1395776,PC-id_26351044,CoCoCo_1395777	469.509	CRTDBXKGCMOKBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144352
COc1cc(OC)c(OC)cc1CN1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1	EMOLS-id_20529849,CoCoCo_1314379,CoCoCo_1314380,ZINC22_20907439,PC-id_29210384,MCULE-1584975537	469.509	UGEXNLLGGPDWLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144353
Fc1cc2C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CCN(C)C)C(=O)Nc2cc1NC(=O)CO	PC-id_68523679,SCHEMBL3133141	469.509	AAPMDRAUBAJRCL-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-144354
Fc1cc2/C(=C/c3[nH]c4CCCN(C(=O)c4c3C)CCN(C)C)/C(=O)Nc2cc1NC(=O)CO	SCHEMBL3133135,PC-id_25114923	469.509	AAPMDRAUBAJRCL-GDNBJRDFSA-N	00000010100000100100000000001010000000000000000000000000	31-01-144355
COC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)sc2c1CCCCC2	BindingDB_PC-id_3621945,BindingDB-id_102629,CoCoCo_2949245,ZINC22_9509876,CHEMBL1469245,PC-id_3621945,EMOLS-id_3276879,MCULE-2404310286	469.51	QOKXCAGORAZEFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144356
s1c2CCCCCc2c(c1NC(=O)COC(=O)CO/N=C(/c1cc2OCOc2cc1)C)C#N	PC-id_55394403	469.51	ZLLTWZHKKCDTCH-VULFUBBASA-N	00000010100000100101000000001010000000000000000000000000	31-01-144357
s1c2CCCCCc2c(c1NC(=O)COC(=O)CON=C(c1cc2OCOc2cc1)C)C#N	PC-id_76234195	469.51	ZLLTWZHKKCDTCH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-144358
CN1CCCN(CCCc2n(CC1)c(cc2F)C(F)(F)F)C(=O)c1ccc(cc1)C(O)(C)C	SCHEMBL18888339	469.515	ZBHCEWSDONYLFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144359
s1c2c(CCCC2)c(c1NC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)C(=O)OCC	PC-id_19527329	469.52	NJQSQGJXSYVCGJ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-144360
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccc(cc3)OC(C)C)CCn12	ChEMBL-DNDi_CHEMBL11032254,EMOLS-id_20395542,MCULE-7162908852,PC-id_45169375	469.527	IMKWFTSICWHIGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144361
CC(C)Oc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1	CoCoCo_1125836,ZINC22_11881498,PC-id_30852502,CoCoCo_1125835	469.527	IMKWFTSICWHIGR-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144362
CC(C)Oc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1	CoCoCo_1125838,CoCoCo_1125837,PC-id_30852503,ZINC22_11881499	469.527	IMKWFTSICWHIGR-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144363
COc1cc(C)c(cc1C)CN1CCc2n(CC1)c(nn2)C(NC(=O)c1cc(F)ccc1F)C	PC-id_45165914,ChEMBL-DNDi_CHEMBL17396895	469.527	IFBWBMGATHRQQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144364
Fc1c(C(=O)N[C@@H](c2n3CCN(CCc3nn2)Cc2c(cc(OC)c(c2)C)C)C)cc(F)cc1	PC-id_28393508	469.527	IFBWBMGATHRQQA-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144365
Fc1c(C(=O)N[C@H](c2n3CCN(CCc3nn2)Cc2c(cc(OC)c(c2)C)C)C)cc(F)cc1	PC-id_28393510	469.527	IFBWBMGATHRQQA-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144366
s1c2CCCCCc2nc1NC(=O)c1cc(OC)c(OCC(=O)Nc2ccc(F)cc2)cc1	PC-id_24603969	469.528	OKJQJMMAVXKYRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144367
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2ccc(F)cc2)c(cn1)C(=O)[O-])C#N	PC-id_25349849	469.532	OZRFLBRFHWGZCU-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-144368
S(=O)(=O)(N1C(C(CC(C)C)c2c(scc2)C(O)C1)C(=O)NO)c1ccc([N+](=O)[O-])cc1	PC-id_76489990	469.532	JLJFUPZVDDKSKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144369
S(=O)(=O)(N1[C@H]([C@H](CC(C)C)c2c(scc2)[C@@H](O)C1)C(=O)NO)c1ccc([N+](=O)[O-])cc1	PC-id_57190179	469.532	JLJFUPZVDDKSKP-IXDOHACOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144370
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(C(=O)Cc3ccc4c(OCO4)c3)CCn12	PC-id_45243028,EMOLS-id_20710049,MCULE-2457017658	469.533	LGCFQKZWTQMFCN-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-144371
c1(C(C)NC(=O)c2ccoc2C)nnc2CCN(Cc3cc(OC)c(cc3OC)OC)CCn12	PC-id_45167731,EMOLS-id_20388476,MCULE-8317278696	469.533	NVCIPJRBWMAVPO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-144372
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3c(OC)cc(cc3OC)OC)CCn12	CoCoCo_1166090,MCULE-1642518865,ZINC22_11786944,PC-id_42167271,EMOLS-id_20425297,CoCoCo_1166091	469.533	YUIGPZOASSVWMM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-144373
CC(CC(C(=O)NC1Cc2cnn(c2)CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730428,SCHEMBL21109583	469.533	JVZUWMDBFKLVDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144374
CC(CC(C(=O)NC1Cc2[nH]nc(c2)CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730196,SCHEMBL21109347	469.533	IGJCWHNSTFPZMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144375
CC(CC(C(=O)NC1CCc2cnn(c2)CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730363,SCHEMBL21109517	469.533	WXWXTGPWCOOWIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144376
CC(CC(C(=O)NC1CCc2[nH]nc(c2)CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21110241,PC-id_138731083	469.533	SEENHXNBNINEJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144377
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2	CoCoCo_1585784,ZINC22_14991099	469.533	LGCFQKZWTQMFCN-HTAPYJJXSA-N	00000010100000100101000000001010000000000000000000000000	31-01-144378
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2	ZINC22_14991095,CoCoCo_1585785	469.533	LGCFQKZWTQMFCN-VGOFRKELSA-N	00000010100000100101000000001010000000000000000000000000	31-01-144379
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2	ZINC22_14991097,CoCoCo_1585786	469.533	LGCFQKZWTQMFCN-VGSWGCGISA-N	00000010100000100101000000001010000000000000000000000000	31-01-144380
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2	ZINC22_14991101,CoCoCo_1585783	469.533	LGCFQKZWTQMFCN-JTSKRJEESA-N	00000010100000100101000000001010000000000000000000000000	31-01-144381
COc1cc(OC)c(OC)cc1CN1CCc2nnc([C@@H](C)NC(=O)c3ccoc3C)n2CC1	CoCoCo_1116386,PC-id_42210525,ZINC22_11838986,CoCoCo_1116385	469.533	NVCIPJRBWMAVPO-OAHLLOKOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-144382
COc1cc(OC)c(OC)cc1CN1CCc2nnc([C@H](C)NC(=O)c3ccoc3C)n2CC1	ZINC22_11838988,PC-id_42210528,CoCoCo_1116387,CoCoCo_1116388	469.533	NVCIPJRBWMAVPO-HNNXBMFYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-144383
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(OC)c(C)c2OC)CC3)o1	MCULE-2205262886,EMOLS-id_20404144,CoCoCo_1137247,PC-id_30853910,ChEMBL-DNDi_CHEMBL12198787,ZINC22_23130151,CoCoCo_1137248	469.533	CUSQOPTVLDBZGI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-144384
O1CCN(CCn2c1nc([N+](=O)[O-])c2)Cc1cc(C2=CCN(CC2)C(=O)OC(C)(C)C)ccc1	PC-id_71569832	469.533	OGGVBQBMCONQPN-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-144385
O=C(NC(C(=O)NC1Cc2ccn(n2)CCCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730623,SCHEMBL21109778	469.533	XZXVQYGFRSADQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144386
O=C(NC(C(=O)NC1Cc2cnc([nH]2)CCCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730878,SCHEMBL21110036	469.533	GBDJEUPBERTMEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144387
O=C(NC(C(=O)NC1Cc2[nH]nc(c2)CCCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109819,PC-id_138730664	469.533	AVKWYDTVRVKQJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144388
O=C(NC(C(=O)NC1CCc2cnn(c2)CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110302,PC-id_138731142	469.533	SJGKHJFOHVCYES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144389
O=C(NC(C(=O)NC1CCc2cn[nH]c2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109349,PC-id_138730198	469.533	MQAXKFWVECZNRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144390
O=C(NC(C(=O)NC1CCc2n[nH]c(c2)CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109975,PC-id_138730817	469.533	HNHDYIQIWSXZPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144391
O=C(NC(C(=O)NC1CCCc2[nH]nc(c2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730925,SCHEMBL21110083	469.533	AKMOIDYGGKURDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144392
O=C(NC(C(=O)NC1CCCn2ncc(c2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731201,SCHEMBL21110361	469.533	UCOLSBRHVCBPFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144393
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1cnccc1)CCOc1ccccc1	PC-id_134805595	469.535	NJOBNCJJJMNTJU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-144394
O=C(Nc1c(F)cccc1F)NCc1ccc(cc1C)C(=O)N1CCCCCc2c1ccs2	PC-id_142104240	469.547	BQCAZLWWZIYHIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144395
[Na+].S(=O)(=O)(c1c2-c(c(c1)CCCS(=O)(=O)Nc1ccccc1)ccc(cc2)C(C)C)[O-]	CHEMBL47510	469.549	SBRJWIXTXKWSJX-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-144396
c1(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C#N	Chemmine_46879,MCULE-9697991688,EMOLS-id_5582486,CoCoCo_5153074,PC-id_16799826,ZINC22_9714946	469.552	SOHDUBQTXROVKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144397
c1(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C#N	PC-id_16799819,MCULE-3199334628,EMOLS-id_5582324,CoCoCo_5152976,ZINC22_9714789	469.552	MDWAEBKVPLNHRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144398
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)N(C2CCCCC2)C)cc1	PC-id_42854954	469.552	ILEFKYHWBXRJHF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144399
Cc1ccccc1c1cccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)c1	MCULE-7857744984,ZINC22_20907730,ChEMBL-DNDi_CHEMBL34091872,PC-id_29210694,EMOLS-id_20530271	469.553	XFMYYLJWJHYWCW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144400
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)C1=O	CoCoCo_2791238,ZINC22_8644236,PC-id_40781715	469.553	GUWQLCSLRVHFPJ-DEOSSOPVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-144401
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)C1=O	CoCoCo_2791239,ZINC22_8644237,PC-id_40781716	469.553	GUWQLCSLRVHFPJ-XMMPIXPASA-N	00000010100000110101100000000010000000000000000000000000	31-01-144402
COC(=O)c1c(NC(=O)CN2C(=O)NC(C2=O)(C)c2ccc(cc2)C)sc2c1CCCCC2	PC-id_4791097,EMOLS-id_3422068,MCULE-3561400830	469.553	IVPCBKLVBHOBHH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-144403
COC(=O)c1c(NC(=O)CN2C(=O)NC(C2=O)CCc2ccccc2)sc2c1CCCCC2	EMOLS-id_3109236,MCULE-7533607648,PC-id_4241004,CHEMBL1485861,ChEMBL-DNDi_CHEMBL1485861	469.553	ROOPOPYIJHJXMW-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144404
COC(=O)c1c(NC(=O)CN2C(=O)NC(C2=O)(CC)c2ccccc2)sc2c1CCCCC2	PC-id_42897981,EMOLS-id_27346938,MCULE-9081850263	469.553	GUWQLCSLRVHFPJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-144405
COC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)sc2c1CCCCC2	CoCoCo_2790812,ZINC22_9507000,PC-id_41100743	469.553	IVPCBKLVBHOBHH-DEOSSOPVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-144406
COC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)sc2c1CCCCC2	PC-id_41100742,ZINC22_9506998,CoCoCo_2790813	469.553	IVPCBKLVBHOBHH-XMMPIXPASA-N	00000010100000110101100000000010000000000000000000000000	31-01-144407
COC(=O)c1c(NC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)sc2c1CCCCC2	PC-id_2379516,ZINC22_3262932,CoCoCo_2811767	469.553	ROOPOPYIJHJXMW-QGZVFWFLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144408
COC(=O)c1c(NC(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)sc2c1CCCCC2	ZINC22_3262933,CoCoCo_2811768,PC-id_2379517	469.553	ROOPOPYIJHJXMW-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144409
Fc1cccc(c1)C(=O)NCc1nnc2CCN(CC(c3ccccc3)c3ccccc3)CCn12	PC-id_42162152,CoCoCo_1218335,EMOLS-id_20462995,ChEMBL-DNDi_CHEMBL21104686,ZINC22_11782229,CoCoCo_1218334,MCULE-3458673692	469.553	OQFCNPRPHPVOPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144410
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)c(OCc2c(onc2C)C)cc1)C(=O)N	PC-id_55334298	469.553	PXKFPBJCBJDTBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144411
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc2[nH]cnc2cc1)CC)C(=O)OCC	PC-id_23944326	469.553	IIFAQEOHOFJIDM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144412
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNC(=O)c1ccc(OC(C)C)cc1)C#N	PC-id_45620757	469.553	VSEPDOGTNGVRLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144413
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc2[nH]cnc2cc1)CC)C(=O)OC	PC-id_24164304	469.553	FMXVPLGGRNGJJX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144414
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc2[nH]cnc2cc1)C)C(=O)OCC	PC-id_23831897	469.553	CFMRETYILMKVGT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144415
N1(C(Cc2ccccc2)C(=O)Nc2sc3c(CCCCC3)c2C#N)C(=O)c2c(cccc2)C1=O	PC-id_3652573,TIMTEC410395,MCULE-6323295272	469.555	QRNCRABVCQOUJG-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-144416
N#Cc1c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	CoCoCo_1767817,ZINC22_9144589,PC-id_40951032	469.555	QRNCRABVCQOUJG-QFIPXVFZSA-N	00000010100000110100000000001010000000000000000000000000	31-01-144417
N#Cc1c(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	ZINC22_9144590,PC-id_40951033,CoCoCo_1767818,GD-id_ZINC09144590	469.555	QRNCRABVCQOUJG-JOCHJYFZSA-N	00000010100000110100000000001010000000000000000000000000	31-01-144418
O=C(c1cccnc1Oc1ccccc1)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709963	469.555	LGUPYZSCKJLJAY-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-144419
CC[15N]1CCC(=NO)c2c(C1=O)n(CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)cc2	SCHEMBL9851994	469.557	PCGFITWNDQJCAN-GEDNPXCDSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144420
CCc1coc(n1)CSc1nc2c(n1Cc1cccc(c1)C(=O)C)C(=O)N(C)COCN2C	SCHEMBL19560552	469.557	APESRQARDUVPLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144421
s1c2c(CCCCC2)c(c1NC(=O)CCc1c(n2ncc(c2nc1C)C(=O)N)C)C(=O)OC	PC-id_55872941	469.557	LBGKZTJLKJRSRD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144422
s1c(N(C(=O)Cn2nc3n(CCCCC3)c2=O)Cc2ccccc2)nc(c1C(=O)OCC)C	PC-id_55583247	469.557	RXZHOKLLHCOEPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144423
S(=O)(=O)(Nc1c(cccc1C)C)c1ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_56096692	469.557	VZZOMEIPQYESAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144424
S(=O)(=O)(Nc1c(OC)cccc1)c1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55501355	469.557	OZIRXFOFXNUDPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144425
COc1ccc(cc1)/C=c/1s/c(=C(c2nnc3n2CCCCC3)/C#N)/n(c1=O)c1ccccc1	CoCoCo_3609856,PC-id_2309312	469.558	XICXYVHESCQFJN-YNRGPCSOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144426
COc1ccc(cc1)/C=c
/s/c(=C(/c2nnc3n2CCCCC3)C#N)/n(c1=O)c1ccccc1	CoCoCo_3609858	469.558	XICXYVHESCQFJN-AQFYKVTJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144427
COc1ccc(C=c2c(=O)n(c3ccccc3)c(=C(c3n4c(CCCCC4)nn3)C#N)s2)cc1	PC-id_5030520,MCULE-9288808919,EMOLS-id_44488404	469.558	XICXYVHESCQFJN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144428
Cc1cc(C)c2-c(c(c1)C)ccc2/C=C/1c2ccccc2N(C1=O)C(c1ccccc1)c1ccccc1	SCHEMBL13324593	479.611	XGQZTFBTXBLQOP-DFKUXCBWSA-N	00000010100000110110000000001010000000000000000000000000	31-01-147267
COc1ccc(/C=c/2s/c(=C(C#N)/c3nnc4CCCCCn34)/n(c3ccccc3)c2=O)cc1	CoCoCo_3609857,EMOLS-id_45973271,PC-id_2309310,ZINC22_27788818	469.558	XICXYVHESCQFJN-PLRUKWNJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144429
COc1ccc(/C=c/s/c(=C(/C#N)c3nnc4n3CCCCC4)/n(c3ccccc3)c2=O)cc1	ZINC22_33655240,CoCoCo_3609859	469.558	XICXYVHESCQFJN-KWXHDPCJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144430
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1ccc(OC)cc1)c1ccccc1	PC-id_2309309	469.558	XICXYVHESCQFJN-QHDBTUHISA-N	00000000100000110101100000000010000000000000000000000000	31-01-144431
CCN(C(=O)CSc1nnc2n1CCCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	CoCoCo_3081838,MCULE-2097462966,EMOLS-id_11751800,ZINC22_8862046,CoCoCo_3081837,PC-id_16319685	469.56	FDDSPVJUAQHCKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144432
CCN1CC/C(=NO)/c2c(C1=O)n(CCCC[N@@H+]1CC[C@H](CC1)C(=O)c1ccc(cc1)F)cc2	GLL_PC-id_9825875	469.572	PCGFITWNDQJCAN-WEMUOSSPSA-O	00000000100010110100000000000010000000000000000000000000	31-01-144433
CCOC(=O)C1=CN(CC(c2c1n(Cc1ccc(cc1)OC)c(n2)C)(C)C)C(=O)OC(C)(C)C	SCHEMBL19659105	469.573	DMKISUYVACLONO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144434
c1(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccccc2)sc2c(CCCCC2)c1C(=O)N	ZINC22_9714748,PC-id_18575751,EMOLS-id_5582282,CoCoCo_5152944,MCULE-8748953080	469.576	KFNBMDXKGGVWDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144435
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)Cc2ccco2)sc2c(CCCCC2)c1C#N	PC-id_16800188,MCULE-2206636678,EMOLS-id_5615222,ZINC22_10220688,CoCoCo_5183249	469.576	WMLYJEPECOBJPT-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-144436
CCC(C)NC(=O)CCN(CCOC)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049932,EMOLS-id_25387446,MCULE-8514737866	469.576	AULKUTYNQPHZBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144437
CCOc1cc(C(=O)NCCc2nnc3n2CCCCC3)ccc1OCC(=O)N1CCCCC1	PC-id_53534090,MCULE-4005539977,ZINC22_69947066,EMOLS-id_36628493	469.576	FPLASVYBKFZQAG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144438
C(NC(=O)CCN(CCOC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)C(C)C	MCULE-9298406732,PC-id_46049927,EMOLS-id_25388174	469.576	QFQSTEAWQPNCIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144439
COCCN(C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)CCC(=O)N[C@@H](CC)C	PC-id_93332290	469.576	AULKUTYNQPHZBS-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144440
COCCN(C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)CCC(=O)N[C@H](CC)C	PC-id_93332291	469.576	AULKUTYNQPHZBS-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-144441
COCCNC(=O)CCN(CC(C)C)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-3927806419,PC-id_46049912,EMOLS-id_25388552	469.576	XBQQAOLFNCKVCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144442
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1	PC-id_24411977	469.576	SQLXMSCLSZIIRP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144443
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)C=Cc1ccccc1)C(=O)OC	PC-id_3690338	469.576	PTNCYSXLFAPFMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144444
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)/C=C/c1ccccc1)C(=O)OC	PC-id_5895853	469.576	PTNCYSXLFAPFMM-OUKQBFOZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144445
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12	PC-id_45178417,EMOLS-id_20434559,ChEMBL-DNDi_CHEMBL16567927,MCULE-9227667067	469.578	HBOIQOVVUZHOSH-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144446
c1(C(C)NC(=O)c2ccoc2C)nnc2CCN(Cc3cccc(c4ccccc4C)c3)CCn12	EMOLS-id_20496799,PC-id_45192761,MCULE-2475345244	469.578	GSFBGQZHAFTZCD-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144447
c1(C(C)NC(=O)c2ccoc2C)nnc2CCN(CC(c3ccccc3)c3ccccc3)CCn12	PC-id_45210796,EMOLS-id_20575355,MCULE-1200513505	469.578	YVXILCKYBCLCLJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-144448
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3ccc(cc3)c3ccccc3C)CCn12	MCULE-7420113415,CoCoCo_1462227,ZINC22_19781751,EMOLS-id_20629337,CoCoCo_1462228,PC-id_28346203	469.578	IRZSIXOXEYHXJN-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144449
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3cccc(c4ccccc4C)c3)CCn12	CoCoCo_1462383,MCULE-5338057786,CoCoCo_1462382,EMOLS-id_20629429,ZINC22_19781807,PC-id_28346254	469.578	VOSCWSGJKYYQIY-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144450
Cc1ccccc1c1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)c1	ZINC22_20600094,CoCoCo_1266528,CoCoCo_1266529	469.578	GSFBGQZHAFTZCD-HXUWFJFHSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144451
Cc1ccccc1c1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)c1	ZINC22_20600095,CoCoCo_1266531,CoCoCo_1266530	469.578	GSFBGQZHAFTZCD-FQEVSTJZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144452
Cc1occc1C(=O)N[C@H](C)c1nnc2n1CCN(CC(c1ccccc1)c1ccccc1)CC2	ZINC22_14991385,CoCoCo_1381383,CoCoCo_1381384,PC-id_26346302	469.578	YVXILCKYBCLCLJ-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-144453
Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CCN(CC(c1ccccc1)c1ccccc1)CC2	ZINC22_14991389,PC-id_26346309,CoCoCo_1381386,CoCoCo_1381385	469.578	YVXILCKYBCLCLJ-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-144454
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	CoCoCo_1178928,CoCoCo_1178929,ZINC22_12041584,PC-id_42372501	469.578	HBOIQOVVUZHOSH-SANMLTNESA-N	00000000101000110101100000000010000000000000000000000000	31-01-144455
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	ZINC22_12041581,PC-id_42372498,CoCoCo_1178927,CoCoCo_1178926	469.578	HBOIQOVVUZHOSH-AREMUKBSSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144456
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccccc1c1ccco1)CC2	CoCoCo_1477127,ZINC22_14978645,CoCoCo_1477128,PC-id_26334409	469.578	NOVZUJCCCVECNZ-OAQYLSRUSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144457
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccccc1c1ccco1)CC2	CoCoCo_1477129,ZINC22_14978649,PC-id_26334413,CoCoCo_1477130	469.578	NOVZUJCCCVECNZ-NRFANRHFSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144458
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccccc3c3ccco3)CCn12	EMOLS-id_20639103,PC-id_45225886,MCULE-9128729501	469.578	NOVZUJCCCVECNZ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144459
O=C(NC(c1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccco1)C)CCc1ccccc1	ChEMBL-DNDi_CHEMBL15591307	469.578	OKIOWVQSESAGEF-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144460
CN(C)CCCC[C@@H]1NC(=O)CCCn2cc(CNC(=O)[C@@H](Cc3ccccc3)NC1=O)nn2	EMOLS-id_289958647,ZINC22_952856345,MCULE-6774221386	469.58	ZJCSNWACTDLLCV-LEWJYISDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144461
S1CCN(CCCCN2CCN(CC2)c2cc(ccc2)C(F)(F)F)C(=O)c2c1scc2	PC-id_19881055	469.587	SESDEJPYMIWYDR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144462
CC(C)c1ccc2-c(c(cc2C(C)C)S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)cc1	CHEMBL354240,PC-id_9982132	469.593	YTWHOMONEMAZLX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144463
O[C@@H](C[C@H](CC(=O)[O-])O)CCn1c2CCCCCc2c(c1C(C)C)C(=O)NCc1ccccc1	GD-id_ZINC40421231	469.593	OHZSHBMDEVHSIV-NHCUHLMSSA-M	00000000100000110100000000000010000000000000000000000000	31-01-144466
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(c1)CC)cccc(c2)C(C)C	PC-id_10389950	469.593	SMONGAIYEAHRLJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144467
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(c1)CC)ccc(C(C)C)cc2	PC-id_10367413	469.593	NIIZFRZPJVJZBO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144468
N#Cc1c(NC(=O)[C@@H]([NH+]2CCN(CC2)c2ccc(cc2F)C(=O)C)C)sc2c1CCCCC2	GD-id_ZINC09207958,PC-id_40968225	469.595	SCRKOEVTUQYPIB-INIZCTEOSA-O	00000000100010110101100000000010000000000000000000000000	31-01-144469
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1c(F)cc(cc1)C(=O)C)C#N	PC-id_40966986	469.595	CTVUOZDFRPBLAG-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-144470
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1c(F)cc(cc1)C(=O)C)C)C#N	PC-id_40968228	469.595	SCRKOEVTUQYPIB-MRXNPFEDSA-O	00000000100010110101100000000010000000000000000000000000	31-01-144471
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1c(F)cc(cc1)C(=O)C)C)C#N	PC-id_74733684	469.595	SCRKOEVTUQYPIB-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-144472
CCC[C@@H](C(=O)c1oc2c(n1)C=CC=CC2)NC(=O)[C@H](Cc1cccs1)NC1CCOCC1	PC-id_142191409	469.596	AHGOUKHCMVKQNR-SFTDATJTSA-N	00000000100110000111000000000010000000000000000000000000	31-01-144473
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CCCN(C1)C(=O)CCOc1ccccc1	PC-id_75909859	469.596	FONDNEKYGRYZRE-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144474
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@H]1CCCN(C1)C(=O)CCOc1ccccc1	PC-id_52722540	469.596	FONDNEKYGRYZRE-IBGZPJMESA-N	00000000100010110100000000000010000000000000000000000000	31-01-144475
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H]1CCCN(C1)C(=O)CCOc1ccccc1	PC-id_52722541	469.596	FONDNEKYGRYZRE-LJQANCHMSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144476
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(cc1)C(=O)C)C(=O)OC	PC-id_22197374	469.596	ZTGUSELSTKDILZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144477
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)COc1ccccc1	PC-id_46411426	469.596	RTXAPQFWBKFULY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144478
S(=O)(=O)(NC(CCSC)C(=O)NCCc1n2CCCCCc2nn1)c1c(F)cccc1	PC-id_55534712	469.596	JQABTUGMDSQSKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144479
c1(c2ccccc2[nH]c1)C=C(C(=O)NCc1cc2c(CCCCC2)s1)NC(=O)c1ccccc1	MCULE-7482989074,PC-id_73515228	469.598	JFQLXFAVJYUJDN-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-144480
O=C(c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)C1)Nc1nc2c(s1)CCCCC2	MCULE-6803808162,PC-id_24611823,EMOLS-id_19945669	469.598	AIRIYWQKBOBYMX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144481
O=CCCC1=CC=c2c(=CC1)nc(n2Cc1csc2c1cc(C)cc2)Nc1ccc(cc1)OC	PC-id_145530076	469.598	DOAAATUSXDOZNT-UHFFFAOYSA-N	00000000100000110111000001000010000000000000000000000000	31-01-144482
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1	CoCoCo_4546277,ZINC22_12829526,PC-id_25541534	469.598	AIRIYWQKBOBYMX-AWEZNQCLSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144483
O=C(Nc1nc2c(s1)CCCCC2)c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	PC-id_25541533,CoCoCo_4546276,ZINC22_12829525	469.598	AIRIYWQKBOBYMX-CQSZACIVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144484
O=C(NCc1cc2CCCCCc2s1)/C(=C/c1c[nH]c2ccccc12)/NC(=O)c1ccccc1	EMOLS-id_50244311,ZINC22_13579499,PC-id_19059527	469.598	JFQLXFAVJYUJDN-XYGWBWBKSA-N	00000000100000110100000001100010000000000000000000000000	31-01-144485
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)c1ccc(F)cc1)C#N	PC-id_19729626	469.598	FYEPJOPPYGYTST-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144486
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cccc(c3)Oc3ccccc3)CCn12	EMOLS-id_20417570,ChEMBL-DNDi_CHEMBL14048271,PC-id_45174492,MCULE-2057067577	469.6	CUAHWBNGSCZSIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144487
CC(C[C@@H](c1nnc2n1CCN(CC2)C(=O)CCC(=O)c1ccccc1)NC(=O)C[NH+](C)C)C	PC-id_42248381,GD-id_ZINC11882302	469.6	JDVFQNIUIMIMFW-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144488
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2	CoCoCo_1155483,PC-id_42436183,CoCoCo_1155484,ZINC22_12158965	469.6	CUAHWBNGSCZSIX-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144489
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2	CoCoCo_1155485,CoCoCo_1155486,PC-id_42436187,ZINC22_12158970	469.6	CUAHWBNGSCZSIX-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144490
O=C(N1CCn2c(nnc2CC1)[C@H](NC(=O)C[NH+](C)C)CC(C)C)CCC(=O)c1ccccc1	PC-id_42248379	469.6	JDVFQNIUIMIMFW-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144491
O=C(N1CCn2c(nnc2CC1)C(NC(=O)C[NH+](C)C)CC(C)C)CCC(=O)c1ccccc1	PC-id_74786081	469.6	JDVFQNIUIMIMFW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144492
C1CN(CC1N)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)Nc1cccc(c1)c1ccccc1	PC-id_89125885	469.601	RAHSDLQQTRSCHN-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-144493
CCOc1ccc(cc1)C1=CS/C(=C(/c2nnc3n2CCCCC3)C#N)/N1Cc1ccccc1	CoCoCo_3729564,PC-id_2315191	469.601	QJZLMUROXVTPJF-SLEBQGDGSA-N	00000011100000110101100000000010000000000000000000000000	31-01-144494
CCOc1ccc(cc1)C1=CSC(=C(c2nnc3n2CCCCC3)C#N)N1Cc1ccccc1	MCULE-8206400496,PC-id_5075930	469.601	QJZLMUROXVTPJF-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-144495
CCOc1ccc(cc1)C1=CS/C(=C(c2nnc3n2CCCCC3)/C#N)/N1Cc1ccccc1	PC-id_2315190,CoCoCo_3729563	469.601	QJZLMUROXVTPJF-VYIQYICTSA-N	00000011100000110101100000000010000000000000000000000000	31-01-144496
NC1CCN(C1)C(=O)c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1cccc(c1)c1ccccc1	SCHEMBL13591905	469.601	RAHSDLQQTRSCHN-QLCVSNABSA-N	00000010100000110111100000000010000000000000000000000000	31-01-144497
s1c2ncn(CCC(=O)N3CCN(CC3)Cc3n4CCCCCc4nn3)c(=O)c2c(c1C)C	PC-id_43042614	469.603	JUQXPPGLXUTPOG-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-144498
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1c(ccc(c1)C)C)C(=O)OC	PC-id_19471632	469.616	NNPHHTRQWNPHIS-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-144499
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1cc(c(cc1)C)C)C(=O)OC	PC-id_19471874	469.616	JFYYRAJFYSZQCJ-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-144500
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1c(cc(cc1)C)C)C(=O)OC	PC-id_19483572	469.616	GXHWPQQMSABDEM-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-144501
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1c(cccc1C)C)C(=O)OC	PC-id_19486993	469.616	IXWONZCECAOZQB-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-144502
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1c(c(ccc1)C)C)C(=O)OC	PC-id_19495263	469.616	GHPOVSMFVIVPAS-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-144503
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1cc(cc(c1)C)C)C(=O)OC	PC-id_19505435	469.616	HZYWRHBJUZSODU-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-144504
O=C1CCN(C(=O)c2c1ccn2CCCCN1CCC(CC1)c1ccccc1)Cc1ccccc1	SCHEMBL9181549,PC-id_19937387	469.618	MCNGZOMOGJYWHY-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-144505
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc2CCCc2cc1C#N)C(=O)OCC	PC-id_23861612	469.619	VTLPDRPCOJEFQD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-144506
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc2CCCc2cc1C#N)C(=O)OC	PC-id_23945380	469.619	NPXZLNGQSAPKQX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-144507
CN1CCN(CC1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)Nc1cc(ccc1)S(=O)C	PC-id_89125919	469.623	MIZYDCWAXZGXMV-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-144508
CN1CCN(CC1)C(=O)c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1cccc(c1)S(=O)C	SCHEMBL13591961	469.623	MIZYDCWAXZGXMV-MDQVGOLUSA-N	00000000100010110111000000000010000000000000000000000000	31-01-144509
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(CC(C)C)c(nn1)c1occc1)C)C#N	PC-id_24498710	469.623	NNRMJNKVJAGEGU-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-144510
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(c(nn1)C(C)C)Cc1occc1)C)C#N	PC-id_24579142	469.623	DBBZFTWROBFENO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-144511
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2cc(ccc2)C)cn1)C(=O)OCC	PC-id_20178441	469.623	DNMWTSJQWAEDSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144512
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(cc2)C)cn1)C(=O)OCC	PC-id_20178886	469.623	UTINCCNJKHDGGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144513
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2c(cccc2)C)cn1)C(=O)OCC	PC-id_20179249	469.623	WNPFGKODSXCNCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144514
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCn1c(n[nH]c1=S)c1ccc(cc1)C	PC-id_24553557	469.623	DRVACRVKVZKBBM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144515
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCn1c(n[nH]c1=S)c1cc(ccc1)C	PC-id_24553558	469.623	ZYTRSGJPKOPIAV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144516
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1c(occ1)C)C#N	PC-id_19726335	469.623	DOOVCZUHHANOGW-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-144517
s1c2CCCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(occ1)C)C#N	PC-id_19726465	469.623	APBVYHPKRXHHSU-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-144518
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2cc(ccc2)C)cn1)C(=O)OC	PC-id_20178434	469.623	WWLLFDGDDZIHIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144519
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(cc2)C)cn1)C(=O)OC	PC-id_20178879	469.623	PIQTXMKVKQUDSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144520
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2c(cccc2)C)cn1)C(=O)OC	PC-id_20179242	469.623	PEUXCEUNDJXKAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144521
Cc1ccc(cc1)S(=O)(=O)N/C=C(c1cc(c2-c1c(C)ccc(c2)C(C)C)C)/c1ccccc1	PC-id_102367278	469.638	IZNVHLYCGWRWEF-CEUNXORHSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144523
c1(c2CCCCCc2sc1NC(=O)CN1CCCCCC1)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_2785880,CoCoCo_6724299,PC-id_5152603,MCULE-8521197608,TIMTEC163396,ZINC22_15946962	469.639	GBZFHOKDBCJQJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144524
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(c(ccc1)C)C)C(=O)OCC	PC-id_22199380	469.639	MAKPBDXYJVXBRH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144525
s1c2c(CCCCC2)c(c1NC(=O)CN1CC(N(CC1)c1ccc(cc1)C)C)C(=O)OCC	PC-id_22199708	469.639	FPVOWKZBFCXGAJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144526
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C)C(=O)OCC	PC-id_17280685	469.639	BDIGYUMKTBXMCH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144527
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1c(cccc1)C)C(=O)OCC	PC-id_22195371	469.639	WTANYSTXLKYXRN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144528
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(c(ccc1)C)C)C(=O)OC	PC-id_22199343	469.639	WNZDWQWGBVELIE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144529
s1c2c(CCCCCC2)c(c1NC(=O)CN1CC(N(CC1)c1ccc(cc1)C)C)C(=O)OC	PC-id_22199637	469.639	DLKXBRBUOZQKDJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144530
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(cc1)C)C(=O)OC	PC-id_22194942	469.639	RZIOEOKTCOXPJV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144531
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1c(cccc1)C)C(=O)OC	PC-id_22195320	469.639	PSTLJQYMTHMMOH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144532
Cc1cc(c(cc1)C)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c([nH]c2ccccc12)C	PC-id_137047378	469.641	ZVJHPVPEHOUFLH-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-144533
Cc1ccccc1NC(=O)c1c(/N=C/c2c(C)n(C)c3ccccc23)sc2c1CCCCCC2	ZINC22_409015914	469.641	PKLBZNNGSJBRTQ-UXHLAJHPSA-N	00000000100000110100000001100010000000000000000000000000	31-01-144534
Cc1cc(cc(c1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c([nH]c2ccccc12)C)C	PC-id_137023082	469.641	CQINCSPWAPJIFH-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-144535
Cc1c(cc(cc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c([nH]c2ccccc12)C)C	PC-id_137023128	469.641	JLAZGMRDBHZXPN-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-144536
Cc1c(c(ccc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c([nH]c2ccccc12)C)C	PC-id_137023147	469.641	LTBNYSXPZIPXLZ-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-144537
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3c(C)[nH]c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409010604	469.641	CQINCSPWAPJIFH-OCSSWDANSA-N	00000000100000110100000001100010000000000000000000000000	31-01-144538
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3c(C)[nH]c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409020210	469.641	ZVJHPVPEHOUFLH-OCSSWDANSA-N	00000000100000110100000001100010000000000000000000000000	31-01-144539
Cc1cccc(NC(=O)c2c(/N=C/c3c(C)n(C)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409012526	469.641	IPCZMLKAOFWYSI-UXHLAJHPSA-N	00000000100000110100000001100010000000000000000000000000	31-01-144540
Cc1cccc(NC(=O)c2c(/N=C/c3c(C)[nH]c4ccccc34)sc3c2CCCCCC3)c1C	ZINC22_409014034	469.641	LTBNYSXPZIPXLZ-OCSSWDANSA-N	00000000100000110100000001100010000000000000000000000000	31-01-144541
Cc1ccc(NC(=O)c2c(/N=C/c3c(C)n(C)c4ccccc34)sc3c2CCCCCC3)cc1	ZINC22_409011928	469.641	GUWVKLFSQJJJRP-UXHLAJHPSA-N	00000000100000110100000001100010000000000000000000000000	31-01-144542
Cc1ccc(NC(=O)c2c(/N=C/c3c(C)[nH]c4ccccc34)sc3c2CCCCCC3)cc1C	ZINC22_409012959	469.641	JLAZGMRDBHZXPN-OCSSWDANSA-N	00000000100000110100000001100010000000000000000000000000	31-01-144543
S(CC(=O)NCC1CCCCC1)c1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_55534940	469.643	VZEBKYUGPMAQOM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144544
N#Cc1c(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)sc2c1CCCCC2	EMOLS-id_43935492,CoCoCo_3976553,PC-id_16308149,MCULE-8757476583,ZINC22_9463798	469.646	UFEJTZYMBPUHBS-UHFFFAOYSA-N	00100000100100000101100000000010000000000000000000000000	31-01-144545
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC=C)C#N	PC-id_19717856	469.646	ULHVEQMNJLRHQL-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-144546
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)CC=C)C#N	PC-id_20127615	469.646	ODAGPOVWQTYJNG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-144547
s1c2CCCCCc2c(c1NC(=O)CSc1sc(Nc2c(c(ccc2)C)C)nn1)C#N	PC-id_3548739	469.646	ZNOOPJNRTHEUTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144548
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1sccc1)CC=C)C#N	PC-id_19725561	469.646	XMWQVFBMPIUBOZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-144549
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)C/C=C/c1ccccc1)C(=O)OC	PC-id_19655406	469.663	BDJMCUKUQKJFNK-DHZHZOJOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144550
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)CC=Cc1ccccc1)C(=O)OC	PC-id_73630920	469.663	BDJMCUKUQKJFNK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144551
CN(C1CCNCC1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)NC1CC=CC(=C1)SC	PC-id_89125921	469.666	DALKFBXLJBUIQN-UHFFFAOYSA-N	00000000100011000111000000000010000000000000000000000000	31-01-144552
CSC1=CC(CC=C1)N/C/1=N/Cc2cc(sc2/C=CC/C=N1)C(=O)N(C1CCNCC1)C	SCHEMBL13591965	469.666	DALKFBXLJBUIQN-MIUUWYPTSA-N	00000000100011000111000000000010000000000000000000000000	31-01-144553
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)CC=C)C#N	PC-id_20128587	469.666	CJQKTELGYOTZMP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-144554
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)CC=C)C#N	PC-id_20125696	469.666	TWGVQEMZVQKLGS-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-144555
c1(NC(=O)c2ccc(cc2)C(C)(C)C)sc2c(CCCCCCCCCC2)c1C(=O)OCC	EMOLS-id_3743514,ZINC22_2060391,SPECS-id_AE-848/13422051,MCULE-1302504288,CoCoCo_6876953,PC-id_1724404	469.679	NBPFFEXRHLXMSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144556
C1CN(Cc2cc(nn2C1)C(=O)Cl)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16099637,PC-id_90460438	469.765	GLXFGHVMCYBVBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144557
Clc1c(Cn2ncc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)c2)ccc(F)c1	PC-id_19523742	469.863	QPAMITLMSAMSPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144558
Clc1c(Cn2nc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)cc2)ccc(F)c1	PC-id_19523757	469.863	DONACTKIZQYTIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144559
Clc1c(Cn2nc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)cc2)c(F)ccc1	PC-id_19523662	469.863	LHWZKEZEKHWRNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144560
Clc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2ccc(F)cc2)c1	PC-id_19523815	469.863	FLQBEXYPIBGLDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144561
Clc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2cc(F)ccc2)c1	PC-id_19523756	469.863	RUSLWTYKXMHMLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144562
Clc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2c(F)cccc2)c1	PC-id_19523826	469.863	LRMXGMIAUIELOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144563
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(c(Cl)c1)F)c2)CC(=O)N(C)c1ccccc1	ZINC22_169759569,MCULE-5098415452,PC-id_91906891,SPECS-id_AT-687/PE30347,EMOLS-id_49751105	469.896	RABHOQQDYJJTNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144564
Clc1cc2OCOc2cc1CN1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1	EMOLS-id_20544757,CoCoCo_1335870,ZINC22_20992063,PC-id_29253272,MCULE-4718510609,CoCoCo_1335869	469.921	MTKMYHLTZVRRQK-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-144565
COc1c(cc(cc1)CNC(=O)c1c2CN(C(=O)CCn2nn1)Cc1cc(ccc1)Cl)OC	PC-id_134810870	469.921	BFSYBURHTKVPJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144566
Clc1c(S(=O)(=O)N2CCOCC2)cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55477973	469.942	ZAXPABQHXLMSTB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144567
Clc1c(C[NH+]2CCn3c(nnc3CNC(=O)CCc3cccnc3)CC2)cc2OCOc2c1	PC-id_42165547	469.944	NFSHACXPPIKFDA-UHFFFAOYSA-O	00000010100000101101000000001010000000000000000000000000	31-01-144568
c1(C(=O)N2CCN(CC2)C(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)c2CCCCCc2[nH]n1	EMOLS-id_323253690,MCULE-3471221584	469.964	TYXBHNVIVIXCLL-UHFFFAOYSA-N	00000010100010110101100000000010000000000000000000000000	31-01-144569
Clc1c(c2oc(CN3CCn4c(nnc4CCNC(=O)C4OCCC4)CC3)cc2)cccc1	PC-id_45232153,MCULE-3187889845,EMOLS-id_20665475	469.964	VHNZRRHGYSUBLC-UHFFFAOYSA-N	00000010101000110101100000000010000000000000000000000000	31-01-144570
Clc1ccc(c2oc(CN3CCn4c(nnc4CCNC(=O)C4OCCC4)CC3)cc2)cc1	PC-id_45199709,EMOLS-id_20527333,MCULE-6092501187	469.964	HNJGROFQBNJDEJ-UHFFFAOYSA-N	00000010101000110101100000000010000000000000000000000000	31-01-144571
COc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c(Cl)c1OC	EMOLS-id_20601275,CoCoCo_1420106,MCULE-7992306681,ChEMBL-DNDi_CHEMBL50986263,ZINC22_19299934,CoCoCo_1420105,PC-id_28133471	469.964	KSNDCGPCJSEGAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144572
O=C([C@H]1CCCO1)NCCc1nnc2n1CCN(CC2)Cc1ccc(o1)c1ccc(cc1)Cl	CoCoCo_1310900,CoCoCo_1310898	469.964	HNJGROFQBNJDEJ-OAQYLSRUSA-N	00000010101000110101100000000010000000000000000000000000	31-01-144573
O=C([C@@H]1CCCO1)NCCc1nnc2n1CCN(CC2)Cc1ccc(o1)c1ccc(cc1)Cl	CoCoCo_1310901,CoCoCo_1310899	469.964	HNJGROFQBNJDEJ-NRFANRHFSA-N	00000010101000110101100000000010000000000000000000000000	31-01-144574
O=C([C@H]1CCCO1)NCCc1nnc2n1CCN(CC2)Cc1ccc(o1)c1ccccc1Cl	CoCoCo_1517512,CoCoCo_1517510	469.964	VHNZRRHGYSUBLC-OAQYLSRUSA-N	00000010101000110101100000000010000000000000000000000000	31-01-144575
O=C([C@@H]1CCCO1)NCCc1nnc2n1CCN(CC2)Cc1ccc(o1)c1ccccc1Cl	CoCoCo_1517513,CoCoCo_1517511	469.964	VHNZRRHGYSUBLC-NRFANRHFSA-N	00000010101000110101100000000010000000000000000000000000	31-01-144576
c1(NC(=O)CCS(=O)(=O)c2ccc(cc2)Cl)sc2c(CCCCC2)c1C(=O)OCC	MCULE-5648092506,EMOLS-id_12383223,ZINC22_9629904,PC-id_41151623,CoCoCo_5138108	470.002	VYNOXTGNXSUGJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144577
Clc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_41319622	470.002	XWOJKRYMAISFOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144578
ClC(Cl)(Cl)C(=O)c1n2c([C@H](CCCC2)CCOC(=O)C(Cl)(Cl)Cl)cc1	PC-id_53360953	470.002	VWCRGALSXORAKW-SECBINFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-144579
ClC(Cl)(Cl)C(=O)c1n2c(C(CCCC2)CCOC(=O)C(Cl)(Cl)Cl)cc1	PC-id_76023391	470.003	VWCRGALSXORAKW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-144580
Clc1c(cc(S(=O)(=O)N(C)C)cc1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_25443488,GD-id_ZINC12697485	470.005	NTDVSZMBKWGJCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144581
Clc1c(S(=O)(=O)NCC2OCCC2)cc(C(=O)Nc2sc3CCCCCc3n2)cc1	PC-id_43043155	470.005	OGCOPRADHKWDLF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144582
Clc1sc(OC(=O)NC2CC(N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)CO)cc1	PC-id_69043630,SCHEMBL4436523	470.005	RIHPRVARIDFNQD-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-144583
Clc1cc(C(=O)N2C3C(CC2C(=O)NCCc2n4CCCCCc4nn2)CCCC3)ccc1	PC-id_75886316	470.007	WRPBLYXYAXJTEQ-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-144584
Clc1cc(C(=O)N2[C@H]3[C@@H](C[C@@H]2C(=O)NCCc2n4CCCCCc4nn2)CCCC3)ccc1	PC-id_52627223	470.007	WRPBLYXYAXJTEQ-DUXKGJEZSA-N	00000010100010110101000000000110000000000000000000000000	31-01-144585
Clc1cc(C(=O)N2[C@@H]3[C@@H](C[C@@H]2C(=O)NCCc2n4CCCCCc4nn2)CCCC3)ccc1	PC-id_52627224	470.007	WRPBLYXYAXJTEQ-JRGCBEDISA-N	00000010100010110101000000000110000000000000000000000000	31-01-144586
Clc1cc(C(=O)N2[C@H]3[C@H](C[C@@H]2C(=O)NCCc2n4CCCCCc4nn2)CCCC3)ccc1	PC-id_52627225	470.007	WRPBLYXYAXJTEQ-IOMROCGXSA-N	00000010100010110101000000000110000000000000000000000000	31-01-144587
Clc1cc(C(=O)N2[C@@H]3[C@H](C[C@@H]2C(=O)NCCc2n4CCCCCc4nn2)CCCC3)ccc1	PC-id_52627226	470.007	WRPBLYXYAXJTEQ-DZFGPLHGSA-N	00000010100010110101000000000110000000000000000000000000	31-01-144588
Clc1ccc(S(=O)(=O)N2CCN(CC2)C(=O)CSc2n3CCCCCc3nn2)cc1	PC-id_29511103	470.009	CGPYQTOTULYPSA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144589
O=C(CSc1nnc2n1CCCCC2)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC22_9672068,PC-id_16290029,EMOLS-id_43775474,CoCoCo_3081416,MCULE-9631951120	470.009	PGRBBVSEYMJSME-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144590
CC(c1ccccc1)NS(=O)(=O)C=Cc1n[nH]c2c1CCCCC2Cc1cc(ccc1)Cl	PC-id_90727914	470.027	LRZPQDXPIRWVRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144591
Clc1cc(CC2CCCCc3c2[nH]nc3/C=C/S(=O)(=O)N[C@H](c2ccccc2)C)ccc1	SCHEMBL176431,PC-id_58882590	470.027	LRZPQDXPIRWVRC-PTULCPQNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144592
Clc1cccc(c1)C[C@H]1CCCCc2c1[nH]nc2/C=C/S(=O)(=O)N[C@H](c1ccccc1)C	PC-id_57814159,SCHEMBL13745207	470.027	LRZPQDXPIRWVRC-SGERCBKXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144593
Clc1ccc(s1)S(=O)(=O)N1CCCC1C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_16800106,EMOLS-id_5605915,MCULE-1926877165	470.028	MKRWHRGIIHKUDJ-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-144594
N#Cc1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2c1CCCCC2	PC-id_41398097,ZINC22_10187198,CoCoCo_5175178	470.028	MKRWHRGIIHKUDJ-CQSZACIVSA-N	00000010100100000100000000000010000000000000000000000000	31-01-144595
N#Cc1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2c1CCCCC2	PC-id_41398098,ZINC22_10187199,CoCoCo_5175179	470.028	MKRWHRGIIHKUDJ-AWEZNQCLSA-N	00000010100100000100000000000010000000000000000000000000	31-01-144596
Clc1c(CC2c3n(nc(OC(=O)NC4C5(CC(C4(C)C)CC5)C)c3CCCC2)C)cccc1	PC-id_77157948	470.047	ZIIYALGHFTUUMK-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-144597
Clc1c(CC2c3n(nc(OC(=O)N[C@H]4C5(CC(C4(C)C)CC5)C)c3CCCC2)C)cccc1	SCHEMBL300685,PC-id_66647643	470.047	ZIIYALGHFTUUMK-XIRGMAOMSA-N	00000010100010110101000000000110000000000000000000000000	31-01-144598
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2c(C(CN(CC2)C)C)c1)CO	PC-id_77997462	470.048	IWWDWFPUIKTLFO-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-144599
ClC1=CCC(S1)C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1sc2c(C(CN(CC2)C)C)c1)CO	SCHEMBL14044978,PC-id_71055938	470.048	IWWDWFPUIKTLFO-DLOXAQCQSA-N	00000011100000000100000000000010000000000000000000000000	31-01-144600
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2=O)C(C#C)(C(F)(F)F)O	PC-id_154682177	470.067	DJUBXGXJWXBBTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144601
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)NC(CO3)C(C#CC4COC4)O)C#N	PC-id_160166618	470.126	RKOZOWDMUKYXMM-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-144602
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)CC#CC4(COC4)O)C#N	PC-id_160113328	470.126	NHRFKQFNMQNTKC-QGZVFWFLSA-N	00001000100000110101000000000010000000000000000000000000	31-01-144603
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)CC#CC4(COC4)O)C#N	PC-id_160352066	470.126	NHRFKQFNMQNTKC-KRWDZBQOSA-N	00001000100000110101000000000010000000000000000000000000	31-01-144604
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@H](C#CC4COC4)O)C#N	PC-id_160113329	470.126	RKOZOWDMUKYXMM-MSOLQXFVSA-N	00001000100000110101000000000010000000000000000000000000	31-01-144605
CC1=C(C=CC(=C1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)N=C(S3)C(F)(F)F)(C)C)F	PC-id_162232849	470.129	HORBZSJDHHGCRM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144606
CC1=C(C=CC(=C1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)SC(=N3)C(F)(F)F)(C)C)F	PC-id_162232850	470.129	OHGHZNKQHCJEFJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144607
Brc1c(c(c2-c1ccccc2)Br)P(c1ccccc1)c1ccccc1	PC-id_102277157	470.136	WBDKQLQZHWRXOD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144608
CC(C)C(C(=O)CC1CC2=C(CCNC(=O)C1=O)SN=N2)NC(=O)OCCOCCOC	PC-id_148223192	470.184	KMHBQJOWMUKNLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144609
CC(C)C(C(=O)CC1CCC2=C(CNC(=O)C1=O)N=NS2)NC(=O)OCCOCCOC	PC-id_152874032	470.184	TZYRKACZEJGXFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144610
CC(C)C(C(=O)CC1CCC2=C(CNC(=O)C1=O)SN=N2)NC(=O)OCCOCCOC	PC-id_147181569	470.184	BZRPDLUPWZQJBN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144611
CC(C)C(C(=O)CC1CC2=C(CCCNC(=O)C1=O)C=CS2)NC(=O)OCC3=CC=CC=C3	PC-id_160425708	470.188	QIKOQAKEOYWKOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144612
CC(C)C(C(=O)CC1CC2=CSC=C2CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_148455510	470.188	MCANQKZEJKCBOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144613
CC(C)C(C(=O)CC1CCC2=C(CCNC(=O)C1=O)C=CS2)NC(=O)OCC3=CC=CC=C3	PC-id_161930698	470.188	YJFPBQPULXTVMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144614
CC(C)C(C(=O)CC1CCC2=CSC=C2CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_152807149	470.188	SPSJIMOEGGAVTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144615
CC(C)C(C(=O)CC1CCCC2=C(CNC(=O)C1=O)C=CS2)NC(=O)OCC3=CC=CC=C3	PC-id_162247662	470.188	ZXOCWAPHEUVLCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144616
CC(C)C(C(=O)CC1CCCC2=C(CNC(=O)C1=O)SC=C2)NC(=O)OCC3=CC=CC=C3	PC-id_160119089	470.188	OWPMFAKNVOXSQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144617
CC(C)C(C(=O)CC1CCCC2=CSC=C2CNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_160954921	470.188	SWGJWASYDNWIQD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144618
CC1=C(NC2=C1C(=O)N(CCC2)CCN3CCOCC3)/C=C(/C4=C(C=CC(=C4)Cl)N)C(=O)C	PC-id_163837583	470.208	OJDORRAFIMMONG-XDJHFCHBSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144619
CN1c2cc(nn2CCC(C1=O)NC(=O)c1nn(cn1)Cc1ccccc1F)CCNCCO	PC-id_163570443	470.219	FYWREILOHCYBSQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144620
CN1c2cc(nn2CC[C@H](C1=O)NC(=O)c1nn(cn1)Cc1ccccc1F)CCNCCO	PC-id_163570442	470.219	FYWREILOHCYBSQ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144621
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3=CC=C(C=C3)C(=O)N	PC-id_155171389	470.253	ACZMPNIHXOUDTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144622
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)C(=O)NC	PC-id_155171376	470.253	JQRPETNSRJIMFM-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144623
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=CC(=C3)C(=O)NC	PC-id_155171436	470.253	BPTUTVAINQWGGU-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144624
Ic1c(C(=O)NCCc2n3CCCCCc3nn2)cc(OC)c(OC)c1	PC-id_56332459	470.305	QSFZUDIQUUPQPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144625
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N	PC-id_5091755	470.353	AUNYWIJITDBTSR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-144626
CC1CC(=CC(=O)OC(Cc2nc(cs2)CCC(=O)CC(=O)O1)C=C(C)Br)C	PC-id_88969660	470.377	CDULEJCTKSIWEJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-144627
O=C1CCc2csc(n2)CC(/C=C(/Br)C)OC(=O)/C=C(/CC(OC(=O)C1)C)C	SCHEMBL12844903	470.377	CDULEJCTKSIWEJ-INOXDZRUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-144628
O=C1CCc2csc(n2)C[C@@H](/C=C(/Br)C)OC(=O)/C=C(/C[C@@H](OC(=O)C1)C)C	SCHEMBL14511393	470.377	CDULEJCTKSIWEJ-LCUMJNKDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-144629
Brc1ccc(cc1)NC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCCC2	EMOLS-id_1230961,ZINC22_2475961,MCULE-5050769517,PC-id_2055061,CoCoCo_81745,BAS-00486765	470.382	LSWQOIBROONNLZ-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-144630
Brc1ccc(CNc2[n+]3c(n(n2)CC(=O)c2ccc(OC)cc2)CCCCC3)cc1	PC-id_4479489	470.382	PEWAOLWUZYZJGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144631
Brc1ccc(NCc2[n+](c3n(n2)CCCCC3)CC(=O)c2ccc(OC)cc2)cc1	PC-id_44723918,SPECS-id_AT-225/NB75813,GD-id_ZINC19879199	470.382	XRMUITTYQHHLRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144632
Clc1cc(ccc1C(=O)N1CCCCc2c1ccs2)NC(=O)c1cccc(c1Cl)Cl	PC-id_140382201	479.807	YETUVBXIAGXOLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147358
COc1ccc(cc1)C(=O)C[n+]1nc(CNc2ccc(Br)cc2)n2CCCCCc12	MCULE-4273439615,ZINC22_12584738,CoCoCo_3759037,EMOLS-id_300049031,CK2061628,ChEMBL-DNDi_CHEMBL1625978,PC-id_2349030	470.382	CLOKSKXKKMRHCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144633
COc1ccc(NCc2n[n+](CC(=O)c3ccc(Br)cc3)c3CCCCCn23)cc1	MCULE-7378554472,ChEMBL-DNDi_CHEMBL1618737,PC-id_4425719,CoCoCo_5015899,EMOLS-id_300002678,SPECS-id_AT-225/NB76703,ZINC22_15953402	470.382	MHCBRJAFYUTKEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144634
Brc1ccc(S(=O)(=O)N(CC(=O)NCCc2n3CCCCCc3nn2)C)cc1	PC-id_52650481	470.384	PUWKQFCXVCJNAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144635
O=c1n(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)nc2n1CCCCC2	EMOLS-id_11991203,PC-id_17428528,MCULE-2893402149,CoCoCo_4479087,ZINC22_24601532	470.384	KPZUNIDDYJHQKN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144636
FC(F)(F)Oc1ccc(NC(=O)N2CC(C2)CN2CCn3c(OCC2)nc([N+](=O)[O-])c3)cc1	SCHEMBL14965637,PC-id_71570591	470.402	KGWVQNMSCAWXNS-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-144637
Brc1c(cc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1sc2CCCCCc2n1	PC-id_24611833	470.404	LQPRKUGPVUWULD-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-144638
Brc1sc(C(=O)N(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)C)cc1	PC-id_55884314	470.404	XLVZQOCNPSBYKY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-144639
Brc1sc(C(=O)NC(C(=O)NNC(=O)c2sc3CCCCCc3c2)C)cc1	PC-id_60491815	470.404	FFHSHQZJZNVKGT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-144640
Brc1sc(C(=O)N(CC(=O)NNC(=O)c2sc3CCCCCc3c2)C)cc1	PC-id_60494191	470.404	ZJLZJVXUXSLITK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-144641
Brc1sc(C(=O)NCC(=O)NNC(=O)c2sc3CCCCCCc3c2)cc1	PC-id_60491856	470.404	VQHOXEMRBDCXDQ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-144642
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_5820608,MCULE-5452874515,SPECS-id_AK-968/12862223,TIMTEC528658,ZINC22_8432655,PC-id_4165690,EMOLS-id_4152907	470.409	WNKYFIFLRISYQP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144643
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)OC	CoCoCo_5815006,PC-id_4623116,MCULE-3566119336,ZINC22_8396545,TIMTEC107163,SPECS-id_AK-968/11842234,EMOLS-id_4152917	470.409	CREMEVGPKLUWSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144644
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)OCCC	SPECS-id_AK-968/11842208,MCULE-1042488117,TIMTEC196050,PC-id_4230724,EMOLS-id_4152915	470.409	HMRJEEIMTPQCEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144645
c1(NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC397752,EMOLS-id_4152911,SPECS-id_AK-968/12516389,PC-id_3873559,MCULE-2564033788	470.409	QDLGKUQBCHUSRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144646
CCCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCCC2	CoCoCo_5814937,PC-id_1740722,ZINC22_2081388	470.409	HMRJEEIMTPQCEA-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144647
CCCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCCC2	PC-id_1740723,ZINC22_2081387,CoCoCo_5814936	470.409	HMRJEEIMTPQCEA-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144648
CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCCCC2	ZINC22_2745433,CoCoCo_5819636,PC-id_7027343	470.409	QDLGKUQBCHUSRW-CYBMUJFWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144649
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCCCC2	ZINC22_2745434,PC-id_7027344,CoCoCo_5819635	470.409	QDLGKUQBCHUSRW-ZDUSSCGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144650
Clc1c(OC(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)C)ccc(Cl)c1	PC-id_3591601	470.409	YZSILJMMQJHEOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144651
Clc1c(C(=O)NC(CCSC)C(=O)NCc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_55452770	470.416	PLKSJIMRRZMXCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144652
CC(OC(=O)C1=CN(CC(c2c1c(cn2C)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659349	470.432	SXBZPHRLSYMDOX-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-144653
CC(OC(=O)C1=CN(CC(c2c1cc(n2C)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659804	470.432	DTNNMDPBMMPSIA-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-144654
CC(OC(=O)C1=CN(CC(c2c1n(C)cc2C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659798	470.432	VWTWSWLMRPVFNG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-144655
CC(OC(=O)C1=CN(CC(c2c1n(C)c(c2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659806	470.432	HTYWLQCDGOJEHV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-144656
CCCC(C)[C@H](CC(CC)n1cnc2c1N=CCC(=C2C)CC)N(C)I	SCHEMBL19988257,PC-id_134361143	470.434	BIDPPOFKUTUQJY-PPSBMQLTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-144657
Clc1ccc(c(c1)Cl)NC(=O)N1CCCn2c(C1Cc1ccc(cc1)C(C)(C)C)ccc2	SCHEMBL4048628,PC-id_57606131	470.434	SDDVIHMCERZHQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144658
CC(NC(=O)C1=C(C)N(CC(c2c1c(n[nH]2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659380	470.436	UZEDZNLHZMAIBY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144659
CC(NC(=O)C1=C(C)N(CC(c2c1[nH]nc2C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659359	470.436	FFZSFOMIPXGFPH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144660
CCCCn1c(Oc2cccc(c2)OC(F)(F)F)nc2c1C(=O)N(CCCO)CC(=O)N2C	SCHEMBL21345326,PC-id_139478625	470.442	WPGDUBQBDMDICR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144661
CC(c1cnc(cn1)Nc1ccc(cc1)C(F)(F)F)NC(=O)C1=NCCc2c(C=N1)ncn2C	PC-id_90851347	470.45	JYIMNXCEFBRXIM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144662
C1Cn2c(cc(n2)CN2CCC(C2)(F)F)NC(=O)C1NC(=O)c1nn(cn1)Cc1ccccc1	SCHEMBL18372846,PC-id_137052836	470.475	CZSBVBQOHOCEAV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144663
C1Cn2c(cc(n2)CN2CCC(C2)(F)F)NC(=O)[C@H]1NC(=O)c1nn(cn1)Cc1ccccc1	SCHEMBL18372978,PC-id_137052846	470.475	CZSBVBQOHOCEAV-KRWDZBQOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144664
C1CC1CN1CCNc2c(C1=O)n(c(n2)COc1cccc(c1)C(F)(F)F)Cc1ccccc1	PC-id_134808640	470.487	MRJARWCAJKJOEK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-144665
CCCCn1cc(ccc1=O)c1ccc(cc1OC1=CCCn2c(C=C1)nnc2C)C(F)(F)F	SCHEMBL19481271	470.487	CNFZIWIUOQZRPR-UHFFFAOYSA-N	00000000100000111111100000000010000000000000000000000000	31-01-144666
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CN1C(=O)c2c(C1=O)cccc2)C(=O)OC	PC-id_3648058	470.495	GVHMYTDPCHJOOX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-144667
Fc1ccccc1c1cccc(c1)C(=O)N1CCc2nnc(CNC(=O)c3ccncc3)n2CC1	MCULE-1185842987,CoCoCo_1417129,PC-id_42365105,EMOLS-id_20599255,ZINC22_12031957	470.498	KQZAMAUBIUVCKB-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-144668
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(NC(=O)c1cc([N+](=O)[O-])ccc1)C)C#N	PC-id_55309482	470.498	MSIXKGWHDYGVGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144669
OCCNCCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL19659116	470.5	FYWREILOHCYBSQ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144670
Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)n(C)c1=O	CoCoCo_2943773,MCULE-7776112012,ZINC22_9120682,EMOLS-id_3367295,PC-id_4020397	470.502	RHQHJUGYLJYRMR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144671
CCC(C1CC(F)C=CC=C1C(F)(F)F)CCNC(=O)c1n[nH]c2c1CCCN(C2)C(=O)C	PC-id_144955026	470.504	ZSOBVEMSJWDTFX-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-144672
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1cc(OC)c(OCC(F)(F)F)cc1	PC-id_56312550	470.505	SDOWHOAWRCTHQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144673
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCC2)n1	MCULE-7598809378,CoCoCo_577194,EMOLS-id_2011718,PC-id_1259034,ZINC22_1070610,TIMTEC569327,ChEMBL-DNDi_CHEMBL7989139	470.508	YGTQRRIAYFBFNQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144674
CS(=O)(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20589560,PC-id_86270154	470.508	JPBJWNGDELRQNE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144675
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2c(OC)cc(OC)c(OC)c2)ccc1	PC-id_42420963	470.517	UGEXNLLGGPDWLJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144676
CC(CC(C(=O)NC1Cc2cnoc2CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138731115,SCHEMBL21110275	470.518	QQYVRTVKDSOYGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144677
CC(CC(C(=O)NC1Cc2ncc(o2)CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138731100,SCHEMBL21110260	470.518	IYFUKOYDSCUFND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144678
CC(CC(C(=O)NC1CCc2coc(n2)CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138731067,SCHEMBL21110225	470.518	OLJVABPKHVMBGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144679
O=C(NC(C(=O)NC1Cc2coc(n2)CCCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110331,PC-id_138731171	470.518	XXRAYSLJZNEHLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144680
O=C(NC(C(=O)NC1CCc2noc(c2)CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730624,SCHEMBL21109779	470.518	YWOJYVHPPMSWBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144681
O=C(NC(C(=O)NC1CCCc2noc(c2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21111162,PC-id_138731901	470.518	MBFSUBLCLBAYQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144682
Cc1c(cc(cc1)NC(=O)Nc1c(cc(cc1)OC)OC)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478251	470.52	OGCVJUIXUBGIPR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144683
COc1ccc(c(c1)OC)NC(=O)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076562	470.52	OGCVJUIXUBGIPR-OGLMXYFKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144684
N#CC(c1ccc(cc1)C(c1c2-c(n(c1=O)C)ccccc2)c1c2-c(n(c1=O)C)ccccc2)C#N	PC-id_101732213	470.521	IHKHNLFEHJDLHV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144685
CN1NC(C)(C)CNc2c(C1=O)c(Cc1ccccc1)n(c2C)Cc1ccc(cc1)C(F)(F)F	PC-id_144007090	470.53	HEYHWQNEQTWPJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144686
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2c(cc(OC)c(c2)C)C)C)cc(F)cc1	PC-id_74843732	470.535	IFBWBMGATHRQQA-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144687
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2ccc(OC(C)C)cc2)C)cc(F)cc1	PC-id_74785945	470.535	IMKWFTSICWHIGR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144688
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2c(cc(OC)c(c2)C)C)C)cc(F)cc1	PC-id_42330053	470.535	IFBWBMGATHRQQA-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144689
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2c(cc(OC)c(c2)C)C)C)cc(F)cc1	PC-id_42330056	470.535	IFBWBMGATHRQQA-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144690
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(OC(C)C)cc2)C)cc(F)cc1	PC-id_42247441	470.535	IMKWFTSICWHIGR-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144691
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(OC(C)C)cc2)C)cc(F)cc1	PC-id_42247442	470.535	IMKWFTSICWHIGR-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144692
C1(c2ccccc2F)(CC(=O)N(C)Cc2c3CCCCCc3[nH]n2)CC(=O)N(CCOC)C1=O	EMOLS-id_20491025,PC-id_45191459,MCULE-7244249288	470.536	NSJAEXBLNXQWAQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-144693
COCCN1C(=O)C[C@@](CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)(c2ccccc2F)C1=O	CoCoCo_1258272,CoCoCo_1258270,PC-id_42165095,ZINC22_11784951	470.536	NSJAEXBLNXQWAQ-VWLOTQADSA-N	00000010100000110101100000000010000000000000000000000000	31-01-144694
COCCN1C(=O)C[C@](CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)(c2ccccc2F)C1=O	PC-id_42165096,ZINC22_11784952,CoCoCo_1258271,CoCoCo_1258273	470.536	NSJAEXBLNXQWAQ-RUZDIDTESA-N	00000010100000110101100000000010000000000000000000000000	31-01-144695
FC1=CC2C(NC(=O)C2=Cc2[nH]c3c(c2C)C(=O)N(CCC3)C[C@H](O)CN2CCOCC2)C=C1	PC-id_71082551	470.536	KAGCGFMQBGEKGT-PGYGNJIDSA-N	00000010100011000101000000000110000000000000000000000000	31-01-144696
FC1=CC2C(NC(=O)C2=Cc2[nH]c3c(c2C)C(=O)N(CCC3)CC(O)CN2CCOCC2)C=C1	PC-id_78004194	470.536	KAGCGFMQBGEKGT-UHFFFAOYSA-N	00000010100011000101000000000110000000000000000000000000	31-01-144697
CC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O)C	SCHEMBL9627273,PC-id_15020230	470.538	LKPLEFJOXOPYLK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144698
s1c2c(CCCCC2)c(c1NC(=O)c1cc2c(C(=O)N(CCCOC)C2=O)cc1)C(=O)OC	PC-id_52638598	470.538	HYKCIEBHRGTWLT-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-144699
s1c2c(CCCCC2)c(c1NC(=O)c1oc2c(c1)cccc2OCC)C(=O)NC(=O)OCC	PC-id_40946646	470.538	ZMPGZUOMIPNRIS-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-144700
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1c2ncoc2ccc1)CC)C(=O)OCC	PC-id_24164335	470.538	PPWSEPADBGEQFY-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144701
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ncoc2cc1)CC)C(=O)OCC	PC-id_24055563	470.538	ZMOYDDQNRQUBHI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144702
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ocnc2cc1)CC)C(=O)OCC	PC-id_24110203	470.538	TTWPXSOAYYRLFB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144703
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1)C#N	PC-id_4370915	470.538	DELZTJAZONMWKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144704
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C#N	PC-id_6082484	470.538	DELZTJAZONMWKZ-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144705
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1c(OC)cc(OC)c(OC)c1)C#N	PC-id_24379486	470.538	IGQYOMIZQOCJQJ-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144706
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1c(OC)cc(OC)c(OC)c1)C#N	PC-id_74266839	470.538	IGQYOMIZQOCJQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144707
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1c2ncoc2ccc1)CC)C(=O)OC	PC-id_23803393	470.538	MUBMUZPBEVOISG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144708
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1c2ncoc2ccc1)C)C(=O)OCC	PC-id_23744892	470.538	LOVDJKNLJIFEGM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144709
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ncoc2cc1)CC)C(=O)OC	PC-id_24137400	470.538	IBXRNRYKOYNFPD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144710
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ncoc2cc1)C)C(=O)OCC	PC-id_23831927	470.538	WSZWCUTZUVEZSM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144711
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ocnc2cc1)CC)C(=O)OC	PC-id_23972382	470.538	CJJBFRRYIPOTHF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144712
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ocnc2cc1)C)C(=O)OCC	PC-id_23999912	470.538	KHHJBIJSFXAJFJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144713
CN(CC(=O)NCCN1CCCC1)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-5346900281,EMOLS-id_25387766,PC-id_46049809	470.54	UFCXMMGQBIRAGZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144714
COCCOCCOC(=O)NC(C(=O)NC1Cc2cnsc2CCNC(=O)C1=O)C(C)C	PC-id_138730295,SCHEMBL21109448	470.54	IJWXVLDMDXNCBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144715
COCCOCCOC(=O)NC(C(=O)NC1Cc2ncsc2CCNC(=O)C1=O)C(C)C	PC-id_138730374,SCHEMBL21109528	470.54	OISJJTOIIYGUMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144716
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Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCCN2CCCC2)cc1	EMOLS-id_25387678,MCULE-1948617655,PC-id_46049831	470.54	SDWQRTNUPJVYME-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144721
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Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCCN2CCCC2)C)cc1	PC-id_46049794	470.54	YWMNOISKHWERQX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-144723
OCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)C)S(=O)(=O)O)C	PC-id_139605613	491.62	HAXOBKJYJNTDCM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150111
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)NCCN2CCCCC2)cc1	EMOLS-id_25387948,MCULE-6788407891,PC-id_46049533	470.54	DTUDJFSQLJCBTN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144724
N#Cc1c(NC(=O)CSc2ncc(C(=O)O)n2c2ccc(F)cc2)sc2c1CCCCC2	PC-id_4836376,MCULE-6727002732,EMOLS-id_43708175,CoCoCo_2873016,ZINC22_12546554	470.54	OZRFLBRFHWGZCU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144725
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(occ3)C)C)CC2)cc(OC)c(OC)c1)C	PC-id_42210524	470.541	NVCIPJRBWMAVPO-OAHLLOKOSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144726
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(occ3)C)C)CC2)cc(OC)c(OC)c1)C	PC-id_42210527	470.541	NVCIPJRBWMAVPO-HNNXBMFYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144727
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(occ3)C)C)CC2)cc(OC)c(OC)c1)C	PC-id_74781380	470.541	NVCIPJRBWMAVPO-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144728
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)c3c(oc(c3)C)C)CC2)c(OC)cc(OC)c1)C	PC-id_42167270	470.541	YUIGPZOASSVWMM-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144729
O(c1c(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)ccc(OC)c1C)C	PC-id_42378075	470.541	CUSQOPTVLDBZGI-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144730
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1onc(n1)c1cc(OC)c(OC)cc1	PC-id_24503530	470.541	KCNOGWPQRCBFDM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144731
Cc1ccc(NS(=O)(=O)c2ccc(NCc3nnc4n3CCCCC4)c([N+](=O)[O-])c2)c(C)c1	EMOLS-id_15252553,CoCoCo_3842079,ZINC22_9112213,MCULE-3792862341,PC-id_17552128	470.545	YUGZZOGVNUFQEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144732
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c(c3-c(c2)ccccc3)Cc2ccccc2)ccc1	PC-id_72423630	470.556	UNIHNHSXYCGDHY-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-144733
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2c(c3-c(c2)ccccc3)Cc2ccccc2)ccc1	BindingDB_PC-id_58786137,SCHEMBL14590124,PC-id_58786137	470.556	UNIHNHSXYCGDHY-RLXMVLCYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-144734
CCOC(C(=O)O)Cc1ccc(cc1)OCCN1C(=Nc2c(CC1=O)n(nc2CCC)C)CC	PC-id_142159592	470.561	UYBNXQYSJJSUIE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144735
Fc1cc(C(=O)NCc2n3CC[NH+](CC(c4ccccc4)c4ccccc4)CCc3nn2)ccc1	PC-id_42162151	470.561	OQFCNPRPHPVOPH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144736
COc1ccc(c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)o2)cc1OC	EMOLS-id_43755415,MCULE-5199475370,CoCoCo_3013022,ZINC22_9508327,PC-id_4578505	470.564	YTOMLHJSJHJQOO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144737
COc1ccc(c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)o2)c(OC)c1	CoCoCo_3863250,EMOLS-id_43908680,MCULE-4913722159,ZINC22_9244644,PC-id_16257188	470.564	PQISLRPGUQIFGA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144738
s1c2CCCCCc2c(c1NC(=O)Cn1c(=O)c2c(c(sc2nc1)C(=O)OCC)C)C#N	PC-id_52449294	470.564	QAICUCSBXDKKEL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144739
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(CCn12)C(=O)c1ccc(cc1)C(=O)OC	ChEMBL-DNDi_CHEMBL12681430,PC-id_45172180,EMOLS-id_20407740,MCULE-8375224318	470.565	LYIMAYZUOZYALY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144740
c1(coc2CCCC(=O)c12)C(=O)N1CCn2c(CC1)nnc2C(CC(C)C)NC(=O)CN(C)C	PC-id_45178966,MCULE-1240569953,EMOLS-id_20436783	470.565	WEAVNUBBXBDBCG-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-144741
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)c1coc3c1C(=O)CCC3)CC2	CoCoCo_1182130,PC-id_42454435,ZINC22_12193881	470.565	WEAVNUBBXBDBCG-QGZVFWFLSA-N	00000000100010000101000000010010000000000000000000000000	31-01-144742
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)c1coc3c1C(=O)CCC3)CC2	ZINC22_12193892,PC-id_42454444,CoCoCo_1182131	470.565	WEAVNUBBXBDBCG-KRWDZBQOSA-N	00000000100010000101000000010010000000000000000000000000	31-01-144743
COC(=O)c1ccc(C(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1	CoCoCo_1142003,ZINC22_12055438,PC-id_42381922	470.565	LYIMAYZUOZYALY-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-144744
COC(=O)c1ccc(C(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1	PC-id_42381920,ZINC22_12055437,CoCoCo_1142002	470.565	LYIMAYZUOZYALY-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144745
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCC(=O)N)c(nn1)c1occc1)C#N	PC-id_33223494	470.568	SEDHQBBNDGLXAS-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-144746
O=C(OC(C)(C)C)/N=CC1CCC(CC1)CCN1CCc2c(CC1)cn(n2)CCC(F)(F)F	PC-id_145451902	470.571	PFLWRNGKGRGTEA-NTFVMDSBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-144747
c12C(=O)OCc1c(c(OC)c(CC=C(C)CCC(=O)Nc1sc3c(CCCCC3)n1)c2O)C	CNP0315709,MCULE-6296357284,PC-id_71963796	470.581	JYRKBSADYAJWGQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-144748
COc1c(C)c2c(c(O)c1C/C=C(C)/CCC(=O)Nc1nc3c(s1)CCCCC3)C(=O)OC2	STOCK1N-76326,PC-id_52905241,EMOLS-id_48556874,ZINC22_62001498,EMOLS-id_317479708	470.581	JYRKBSADYAJWGQ-NTEUORMPSA-N	00000010100000100101000000001010000000000000000000000000	31-01-144749
s1c2c(CCCCC2)c(c1NC(=O)C1CCN(CC1)C(=O)COc1ccccc1)C(=O)OC	PC-id_52638634	470.581	MGROSRGWMITUEK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144750
CCCN1CCN(CC1)CCCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)F	EMOLS-id_32633032,MCULE-4866474065,PC-id_53086364	470.583	CULWQJNLYRJBFN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144751
COCCCN1CCN(CC1)C(=O)CNc1c(C/C=CC(=C/C=C)F)nc2n1C(=CN=CC2)C	PC-id_144325959	470.583	HHBLREYPSGCNTP-JKUIXUGWSA-N	00000000100010000111000000000010000000000000000000000000	31-01-144752
c1(NC(=O)CCC(=O)N2CCN(CC2)Cc2ccc3c(OCO3)c2)sc2c(CCCCC2)n1	MCULE-4031488637,EMOLS-id_334812743	470.584	KJZFDDCZBTZGSK-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-144753
s1c2c(CCCCC2)cc1C(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CCOC	PC-id_73244116	470.584	OSLLVMCMZGHFEU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144754
s1c2c(CCCCC2)cc1C(=O)NC1N(CCOC)C(=O)NC(=O)C1NCc1ccccc1	PC-id_76349595	470.584	GLCBEYAYJTVULM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144755
s1c2CCCCCCc2cc1C(=O)N(c1c(n(CCCC)c(=O)[nH]c1=O)N)Cc1occc1	PC-id_60400171	470.584	XXAHQIDASUNYOZ-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-144756
o1c(c2c(C[NH+]3CCn4c(nnc4[C@H](NC(=O)CCc4ccccc4)C)CC3)cccc2)ccc1	PC-id_26334408,GD-id_ZINC14978645	470.586	NOVZUJCCCVECNZ-OAQYLSRUSA-O	00000000101000110101100000000010000000000000000000000000	31-01-144757
o1c(c2c(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)CCc4ccccc4)C)CC3)cccc2)ccc1	PC-id_26334412	470.586	NOVZUJCCCVECNZ-NRFANRHFSA-O	00000000101000110101100000000010000000000000000000000000	31-01-144758
o1c(c2c(C[NH+]3CCn4c(nnc4C(NC(=O)CCc4ccccc4)C)CC3)cccc2)ccc1	PC-id_74497660	470.586	NOVZUJCCCVECNZ-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-144759
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)c1c(oc(c1)C)C	PC-id_42396885	470.586	IRZSIXOXEYHXJN-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-144760
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)c1c(oc(c1)C)C	PC-id_42396888	470.586	VOSCWSGJKYYQIY-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-144761
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C(C)C)c1ccoc1	PC-id_74800343	470.586	HBOIQOVVUZHOSH-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-144762
O=C(NC(c1n2CC[NH+](CCc2nn1)CC(c1ccccc1)c1ccccc1)C)c1c(occ1)C	PC-id_74498963	470.586	YVXILCKYBCLCLJ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144763
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C(C)C)c1ccoc1	PC-id_42372497	470.586	HBOIQOVVUZHOSH-AREMUKBSSA-O	00000000101000110101100000000010000000000000000000000000	31-01-144764
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C(C)C)c1ccoc1	PC-id_42372500	470.586	HBOIQOVVUZHOSH-SANMLTNESA-O	00000000101000110101100000000010000000000000000000000000	31-01-144765
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)CC(c1ccccc1)c1ccccc1)C)c1c(occ1)C	PC-id_26346301	470.586	YVXILCKYBCLCLJ-HXUWFJFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144766
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)CC(c1ccccc1)c1ccccc1)C)c1c(occ1)C	PC-id_26346308	470.586	YVXILCKYBCLCLJ-FQEVSTJZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-144767
COc1ccc(cc1)c1nnc(n1CC(=O)NNC(=O)c1sc2c(c1)CCCCCC2)[S-]	GD-id_ZINC12698585,PC-id_51512207	470.588	QBHFNFVUQMWOCV-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-144768
CC(C)c1c(C(=O)NCc2ccccc2)c2c(n1CC[C@@H](O)C[C@@H](O)CC(=O)O)CCCCC2	BindingDB_PC-id_24901668,CHEMBL488299,PC-id_24901668	470.601	OHZSHBMDEVHSIV-NHCUHLMSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144769
OC(CCn1c2c(CCCCC2)c(c1C(C)C)C(=O)NCc1ccccc1)CC(O)CC(=O)O	PC-id_74349741	470.601	OHZSHBMDEVHSIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144770
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc(F)c(N2CC(OC(C2)C)C)cc1)C)C#N	PC-id_55913717	470.603	LOKPJKJICZAHJF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144771
CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2cc3c(o2)CCCNC3=O)CC1	ZINC22_2325843155	470.604	XKIKGRLFPBBHJI-QMMLZNLJSA-N	00000010100010000100000000000110000000000000000000000000	31-01-144772
CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2cc3c(o2)CCCNC3=O)CC1	ZINC22_2325843156	470.604	XKIKGRLFPBBHJI-UIFIKXQLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-144773
CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2cc3c(o2)CCCNC3=O)CC1	ZINC22_2325843157	470.604	XKIKGRLFPBBHJI-WMQCIHAUSA-N	00000010100010000100000000000110000000000000000000000000	31-01-144774
CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cc3c(o2)CCCNC3=O)CC1	ZINC22_2325843158	470.604	XKIKGRLFPBBHJI-YYWHXJBOSA-N	00000010100010000100000000000110000000000000000000000000	31-01-144775
COC(=O)NCCCn1cc(/c/2=C/C=C/CCC/C=c/12)C(N(C(=O)[C@H]1CNCCO1)C1CC1)C	PC-id_144441085	470.604	OQGJHSIPVOLREG-QUESVBJLSA-N	00100000100010000111000000000010000000000000000000000000	31-01-144776
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(SCC2OCCC2)cccc1)C#N	PC-id_55403566	470.604	SKTGIKLRCIJNBD-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-144777
s1c2CCCCCCc2cc1C(=O)OCc1nc(sc1)CC(=O)Nc1c(OC)cccc1	PC-id_45655417	470.604	OLJLCMUONRHCMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144778
Oc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)c(C)cn2Cc1ccccc1	SCHEMBL6776260,PC-id_22737898	470.606	BCDLMUILNWFGKS-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-144779
O=C1CCN(C(=O)c2c1ccn2CCCCN1CCN(CC1)c1ccccc1)Cc1ccccc1	PC-id_15229176,SCHEMBL6984315	470.606	LCLPYQRJKBXAFB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144780
O=C1N(CCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)CCC(=O)c2c1ccn2C	SCHEMBL6774522,PC-id_10504559	470.606	XYYYDIPQLVSBIH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144781
O=C1NCCC(=O)c2c1c(CCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)cn2C	PC-id_67595518,SCHEMBL8475824	470.606	JKKWYAKGISYWFB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144782
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)CCc3ccccc3OC)CCn12	ChEMBL-DNDi_CHEMBL11505303,MCULE-6542274204,EMOLS-id_20399100,PC-id_45170212	470.608	YGAXJVGEWLXMEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144783
CCC1N[C@@H](C)C(=O)N[C@H](CN[C@H](C(=O)N[C@H](c2oc1nn2)C)Cc1ccccc1)CC(C)C	SCHEMBL18652918	470.608	ASLYEUZCSYBQBM-AAMAMRNWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144784
CC([C@@H](c1nnc2n1CC[N@H+](CC2)Cc1cccc(c1)Oc1ccccc1)NS(=O)(=O)C)C	PC-id_42436186,GD-id_ZINC12158970	470.608	CUAHWBNGSCZSIX-QHCPKHFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144785
COc1ccccc1CCC(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n2CC1	ZINC22_11964358	470.608	YGAXJVGEWLXMEG-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144786
COc1ccccc1CCC(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)CN(C)C)n2CC1	ZINC22_11964362	470.608	YGAXJVGEWLXMEG-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144787
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c2ccc(cc2)C)c(nn1)C)C(=O)OC	PC-id_19644215	470.608	HTSASIYQIPOIGU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144788
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c2ccccc2)c(nn1)C)C(=O)OCC	PC-id_19644188	470.608	RKIDCORETYPWEU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144789
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccccc1)C(=O)OC	PC-id_19727959	470.608	QLYZCSVIHORRBM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144790
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)C)C(=O)OC	PC-id_17301582	470.608	ASXJBEIQDMQXIE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144791
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)C)C(=O)OC	PC-id_19729783	470.608	XDZNITBEGCVNBV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144792
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)C)C(=O)OC	PC-id_19729975	470.608	FBQLOHPXPAUVRR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144793
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccccc1)C)C(=O)OCC	PC-id_19727942	470.608	HGEGOJSRYZTKGJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144794
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)C)C(=O)OC	PC-id_20123546	470.608	RPOZTOGPROPUCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144795
CCCc1ccc2-c(c(cc2S(=O)(=O)O)CCCCNS(=O)(=O)c2ccc(cc2)Cl)cc1	PC-id_87785850	496.039	LHRUNXQXUHSJFD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151057
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1cc(OC)ccc1)C(=O)OC	PC-id_20172793	470.608	FKVZBWMKRVLKBR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144796
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(n(c1=O)c1ccccc1)C)C)C(=O)OC	PC-id_19687084	470.608	GYHYNBRDUXMDLC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144797
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1c(SCc2c(onc2C)C)nccc1	PC-id_35782280	470.608	DOERGBHELLHLEI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-144798
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c2ccccc2)c(nn1)C)C(=O)OC	PC-id_19644169	470.608	KAHRGPXADMCDKG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144799
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccccc1)C)C(=O)OC	PC-id_19727920	470.608	UOZOCADCLIKDAG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144800
s1c2c(CCCCCC2)c(c1NC(=O)CSc1nn(c2ccccc2)cn1)C(=O)OCC	PC-id_4155682	470.608	SPDSVVXDKSVMFB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144801
S(c1n2CCCCCc2nn1)CC(=O)Nc1sc(c(c1C(=O)OCC)c1ccccc1)C	PC-id_29460252	470.608	UOVOXIZJTJUYIL-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-144802
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(Oc2ccccc2)ccc1)C(C)C)C	PC-id_74803362	470.608	CUAHWBNGSCZSIX-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144803
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(Oc2ccccc2)ccc1)C(C)C)C	PC-id_42436182	470.608	CUAHWBNGSCZSIX-HSZRJFAPSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144804
COc1cccc(c1)Nc1nc(nc(c1)N1CCCCC1)N(CCc1c[nH]c2c1C=CC=CC2)C	PC-id_142159356	470.609	WQKZXCPYMAUPQL-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-144805
C#CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1cc(C)ccc1C)CCCCCC2	ZINC22_408971903	470.626	LQVGBGABEURNRZ-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144806
C#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1	ZINC22_408971229	470.626	DWEJKFQCRPRQBX-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144807
c1(c2CCCCCc2sc1NC(=O)CN1CCN(CC1)C)C(=O)Nc1ccc(cc1)OCC	CoCoCo_6724249,CoCoCo_6724250,ZINC22_22635486,EMOLS-id_2785816,PC-id_3721734,MCULE-7256671800	470.627	XAPCNZUWINKJLR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144808
CN(CCCc1c(/C=C/2C(=O)Nc3c2cc(cc3)S(=O)(=O)N(C)C)[nH]c2c1CCCCC2)C	SCHEMBL6697982,PC-id_60113707	470.627	QRURQWYIBDWDER-PGMHBOJBSA-N	00000010100000100100000000001010000000000000000000000000	31-01-144809
S(=O)(=O)(N(C)C)c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCN(C)C)C(=O)Nc2cc1	PC-id_72651801	470.627	QRURQWYIBDWDER-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-144810
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(c(=O)c2c(scc2)n1)CC=C)C)C#N	PC-id_55418152	470.631	BTTVAFPXPCJJSZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144811
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(c(=O)c2sccc2n1)CC=C)C)C#N	PC-id_24559007	470.631	KESWHQIHIFDHJP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144812
s1c2CCCCCCc2nc1NC(=O)c1oc2c(c1CSc1sc(nn1)C)cccc2	PC-id_56257776	470.631	BFFKMTPOIHSYEL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-144813
[Si](OCc1c(CCn2c3NC=NCC(=O)c3nc2)cc(cc1)C(=O)OCC)(C(C)(C)C)(C)C	PC-id_10576330	470.637	ILGVSVAQRFSPSW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144814
O=C1C(=CC(=C(c2c3-c(cc2)ccccc3)c2c3-c(cc2)ccccc3)C=C1C(C)(C)C)C(C)(C)C	PC-id_10552328	470.644	HNGGZQSJPYQIMW-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-144815
c1(NC(=O)C(C)Sc2c3ccccc3n(CC)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-8096262500,PC-id_5204722,EMOLS-id_16384244	470.647	JGGYCKKONQYKHO-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-144816
c1(NC(=O)CSc2c3ccccc3n(CCC)c2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4413790,EMOLS-id_16384282,MCULE-1587564552,CoCoCo_2667515,ZINC22_3582003	470.647	BRPGBEIYMAKJQH-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-144817
CCOc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCCCC2	GD-id_ZINC15946962,PC-id_26875605	470.647	GBZFHOKDBCJQJZ-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-144818
CCOC(=O)c1c(NC(=O)[C@@H](Sc2cn(c3c2cccc3)CC)C)sc2c1CCCCC2	CoCoCo_2667482,PC-id_92201612	470.647	JGGYCKKONQYKHO-INIZCTEOSA-N	00000000100000100100000001100010000000000000000000000000	31-01-144819
CCOC(=O)c1c(NC(=O)[C@H](Sc2cn(c3c2cccc3)CC)C)sc2c1CCCCC2	PC-id_92201613,CoCoCo_2667481	470.647	JGGYCKKONQYKHO-MRXNPFEDSA-N	00000000100000100100000001100010000000000000000000000000	31-01-144820
s1c2c(CCCCC2)c(c1NC(=O)CN1CCC(CC1)C(=O)NCCc1sccc1)C#N	PC-id_56182368	470.651	PGUAJZFDQUJEQI-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-144821
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCC(NC(=O)c2sc(cc2)C)CC1)C)C#N	PC-id_56232966	470.651	AZMWTOBALOCPDN-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-144822
CC(N1CC[C@@H](C1)NC1=N[C@@H](CNc2c1nn(c2)CCc1ccccc1)Cc1ccccc1)(C)C	PC-id_142703385	470.652	VDGQTLUGRLSPGR-LOSJGSFVSA-N	00000010100000110111000000000010000000000000000000000000	31-01-144823
S=c1n2c(nn1CN1CCN(CC1)Cc1nc(sc1)c1ccc(OC)cc1)CCCCC2	PC-id_24623485	470.654	ZDRZAQMJNNXHJS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144824
s1c2c(CCCCCCCCCC2)c(c1NC(=O)CC(C)C)C(=O)Nc1c(OC)cccc1	PC-id_23796327	470.667	GUEKPGCXHHGSDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144825
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCC(CC1)Cc1ccccc1	EMOLS-id_4153330,TIMTEC186583,ZINC22_20168457,MCULE-1899357276,CoCoCo_6799974,PC-id_3275865	470.69	HCCCFLHKCJDKCL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144826
CC#Cc1sc(c2c1OCC(CO2)(Cc1ccccc1)Cc1ccccc1)C#C[Si](C)(C)C	SCHEMBL12390952,PC-id_58403340	470.698	VBGDQSFPTXXEKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144827
Clc1c(Cn2nc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)nc2)ccc(F)c1	PC-id_19523771	470.851	XDTWNZPDJUJDJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144828
Clc1c(Cn2nc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)nc2)c(F)ccc1	PC-id_19523792	470.851	WTLBUIUGCYMJCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144829
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)CNC2=NCCN2)cc(c1)C(F)(F)F	SCHEMBL16129817,PC-id_117616623	470.876	WJHQRCNNCPEECG-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-144830
Clc1c(N2CCC(CC2)C(=O)NCCc2n3CCCCCc3nn2)ncc(c1)C(F)(F)F	PC-id_52547167	470.919	LBQURUZOTIYYJM-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-144831
O=C(NCc1ccc(cc1)N1CCCC1)OCCCCn1cnc2c1C(=C)CC(N=C2N)Cl	PC-id_145395670	470.995	WTHLPYIYDRLBGV-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-144850
O=C(CN1CCN(Cc2nnc3n2CCCCC3)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1	PC-id_17559129,MCULE-6911035013,ZINC22_22798759,CoCoCo_4573367,CoCoCo_4573368,EMOLS-id_44042491	470.919	OMOBAOWBKSNALZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144832
Fc1ccc(CC(=O)N2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(Cl)c1	CoCoCo_1337729,MCULE-9643370450,PC-id_42451684,ZINC22_12190686,EMOLS-id_20546053	470.927	KLQIASMFUYTRHE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-144833
Clc1c(C[NH+]2CCn3c(nnc3CNC(=O)COc3ccccc3)CC2)cc2OCOc2c1	PC-id_42451367	470.929	MTKMYHLTZVRRQK-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-144834
COCCN1CCNc2c(C1=O)n(c(n2)COc1c(cc(cc1)Cl)OC)Cc1ccccc1	PC-id_134808306	470.949	JHXOTJFVGDBYGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144835
COc1ccc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)c(Cl)c1OC	ZINC22_20993975,MCULE-1700484961,EMOLS-id_20547299,PC-id_29254719	470.952	IRKQNFKVXOBVAY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-144836
COc1cc(CN2CCc3n(CC2)c(nn3)C(NC(=O)c2cccnc2)C)c(cc1OC)Cl	ChEMBL-DNDi_CHEMBL15842213	470.952	OFYHQFMGIADAKC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-144837
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1	SCHEMBL6990757,PC-id_69954455	470.968	WOQLVYGXGQQXNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144838
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)c2c(OC)cc(OC)cc2)cc1	PC-id_69955256,SCHEMBL6993625	470.968	KESGOVYAWCPVSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144839
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1=O	CoCoCo_3156694,ZINC22_13095244,PC-id_25706853	470.972	GXNGXOHQYFAALL-HSZRJFAPSA-N	00000010100000110101100000000010000000000000000000000000	31-01-144840
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1=O	PC-id_25706852,ZINC22_13095243,CoCoCo_3156695	470.972	GXNGXOHQYFAALL-QHCPKHFHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-144841
Clc1ccc(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCCCC3)c2C#N)CC)cc1	EMOLS-id_43794925,MCULE-5756700109,PC-id_42904056	470.972	GXNGXOHQYFAALL-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-144842
Clc1c(C[NH+]2CCn3c(nnc3CNC(=O)Cc3ccccc3)CC2)ccc(OC)c1OC	PC-id_42429995	470.972	KSNDCGPCJSEGAD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144843
Clc1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc(S(=O)(=O)N(C)C)cc1	PC-id_55487752	470.99	DXKIHPKYOSSJQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144844
Clc1c(S(=O)(=O)N(C)C)cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_55377246	470.99	QVWGVRKTXRQCLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144845
Clc1c(S(=O)(=O)N(C)C)cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_29380479	470.99	JWWPSCSJGDRNKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144846
Clc1c(C(=O)N2CCCC(=O)c3sccc23)ccc(NC(=O)c2c(SC)cccc2)c1	SCHEMBL6993364,PC-id_69955185	470.992	UHHIVJLHBNPHAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144847
CN1CCC(=NO)c2c(C1=O)n(cc2)CCCCN1CCC(CC1)C(=O)c1ccc(cc1)Cl	PC-id_88403844,SCHEMBL9040064	470.992	XNWIKNNYYZGTCL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144848
Clc1sc(OC(=O)NC2CC(N(C2)C(=O)c2sc3c(n2)CCN(CC3)C)CO)cc1	PC-id_70893710,SCHEMBL13372881	470.993	XCJAKYNBIHWTTM-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-144849
Clc1ccc(C(=O)N2CCN(CC2)C(C(=O)Nc2sc3c(CCCCC3)c2C#N)C)cc1	PC-id_24674625	471.015	QAVXFBHDMLOCEN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144851
Clc1cc(C(=O)N2CCN(CC2)C(C(=O)Nc2sc3c(CCCCC3)c2C#N)C)ccc1	PC-id_55543172	471.015	KJSWKUGGLWRCBU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144852
Clc1c(CC(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)cccc1	PC-id_56120502	471.015	DLWJAGKRNMHQJD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144853
Clc1cc(c2sc(C(=O)N3CCN(CC3)Cc3n4CCCCCc4nn3)c(n2)C)ccc1	PC-id_46449537	471.018	YHKVXZFVDWZJRO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-144854
C=C/C(=CC=C(OC1CCN(CC1)CC(Cn1cc(c2=CC=CCCC=c12)C(=O)C)O)/C)/Cl	PC-id_143503331	471.031	HNLIUBDMOKNSLO-WNYPEOLZSA-N	00000000100010000110000000000010000000000000000000000000	31-01-144855
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2c(n1)CCN(CC2)C)COC	PC-id_77997461	471.036	UVDMOOLNXKWXBC-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-144856
ClC1=CCC(S1)C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1sc2c(n1)CCN(CC2)C)COC	PC-id_71055937,SCHEMBL14044977	471.036	UVDMOOLNXKWXBC-IMSGDLLMSA-N	00000011100000000101000000000010000000000000000000000000	31-01-144857
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@](C)(C#C)O)C(F)(F)F	PC-id_160061975	471.108	WTPQSEGUAURBIF-BEFAXECRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144858
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@@](C)(C#C)O)C(F)(F)F	PC-id_160061976	471.108	WTPQSEGUAURBIF-DNVCBOLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144859
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@](C)(C#C)O)C(F)(F)F	PC-id_160077483	471.108	WTPQSEGUAURBIF-KXBFYZLASA-N	00000000100000110101000000000010000000000000000000000000	31-01-144860
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@@](C)(C#C)O)C(F)(F)F	PC-id_160077484	471.108	WTPQSEGUAURBIF-HNAYVOBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144861
CC#C[C@H]([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)C)C(F)(F)F)O	PC-id_160043477	471.108	ARCWQAZDHKCZAY-LSDHHAIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144862
CC#C[C@@H]([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)C)C(F)(F)F)O	PC-id_160043478	471.108	ARCWQAZDHKCZAY-GJZGRUSLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144863
CC#C[C@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)C)C(F)(F)F)O	PC-id_160945503	471.108	ARCWQAZDHKCZAY-HUUCEWRRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144864
CC#C[C@@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)C)C(F)(F)F)O	PC-id_160945504	471.108	ARCWQAZDHKCZAY-CABCVRRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-144865
CN1C=C2C(=C1C(NC3=CC(=C(C=C3)F)C#N)O)CC[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)F	PC-id_154991307	471.154	WMDZPYOPZVIBCA-HQOTUVDSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144866
CC1=C2C(=C(N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCC=CCC4)OC)CCCCC2=O	PC-id_155289220	471.183	RFTOTWJYZOALKR-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-144867
CC(C)C(C(=O)CC1CC2=C(CCCNC(=O)C1=O)C=NS2)NC(=O)OCC3=CC=CC=C3	PC-id_161474945	471.183	WDOYVHUIAJPVDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144868
CC(C)C(C(=O)CC1CC2=C(CCCNC(=O)C1=O)N=CS2)NC(=O)OCC3=CC=CC=C3	PC-id_160339718	471.183	PXUIGZSWAJUWPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144869
CC(C)C(C(=O)CC1CC2=C(CCCNC(=O)C1=O)SC=N2)NC(=O)OCC3=CC=CC=C3	PC-id_147879285	471.183	IACYOKYUZDHKHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144870
CC(C)C(C(=O)CC1CC2=CN=C(S2)CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_147494897	471.183	FGGFVZLSWPTSLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144871
CC(C)C(C(=O)CC1CC2=NSC(=C2)CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_149340527	471.183	YECAEXSJZMCREC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144872
CC(C)C(C(=O)CC1CCC2=C(CCNC(=O)C1=O)N=CS2)NC(=O)OCC3=CC=CC=C3	PC-id_149329394	471.183	YCACGBIJDQOPOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144873
CC(C)C(C(=O)CC1CCC2=C(CCNC(=O)C1=O)SC=N2)NC(=O)OCC3=CC=CC=C3	PC-id_148812851	471.183	OQGIUFXQDLUQEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144874
CC(C)C(C(=O)CC1CCC2=C(CCNC(=O)C1=O)SN=C2)NC(=O)OCC3=CC=CC=C3	PC-id_161530389	471.183	WKNXFNBUHVTKRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144875
CC(C)C(C(=O)CC1CCC2=CC(=NS2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_147841815	471.183	HTCRNCWPFAHHBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144876
CC(C)C(C(=O)CC1CCCC2=C(CNC(=O)C1=O)N=CS2)NC(=O)OCC3=CC=CC=C3	PC-id_148922946	471.183	PKKXBZBECAJCLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144877
CC(C)C(C(=O)CC1CCCC2=C(CNC(=O)C1=O)SN=C2)NC(=O)OCC3=CC=CC=C3	PC-id_153114878	471.183	VTRCWJBORBYIBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144878
CC1=C(C=CC(=C1)C(C)N2CCC3=NC(=CN3CC2)/N=C(N)/SC(=NC(=O)C)N)SC=C	PC-id_154685641	471.188	BIGQGNMYFZAXCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144879
c12C(=O)N(CCCn1nc(C(=O)Nc1ccc(cc1Br)C)c2)Cc1ccc(cc1)F	EMOLS-id_32632832,PC-id_53086342,MCULE-4991487799	471.322	ZZYIVBUPNRHYEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144880
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(Br)c1)c2)Cc1ccc(cc1)F	MCULE-9574221649,PC-id_50797956,EMOLS-id_32846260	471.322	CQRUYLIOVDNSTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144881
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1Br)c2)Cc1ccc(cc1)F	MCULE-6173335577,PC-id_50797947,EMOLS-id_32846220	471.322	OCHNSTJIRFJYBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144882
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC	PC-id_4090589	471.338	YPSIRCJHNDBDJH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-144883
Clc1c(N)c(C(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc(Cl)c1	PC-id_5014688	471.354	NDHUBFANRGICIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144884
BrC1CCCc2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2C1=O	PC-id_53387400	471.388	PGZNXPYMXBMHPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144885
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)CC(C(C)(C)C)C(=O)N	PC-id_76657268	471.389	CITSAXOPCJMIGN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144886
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)CC(CC(C)C)C(=O)N	PC-id_76657274	471.389	HINCELDJQPNMAR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144887
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)C[C@@H](C(C)(C)C)C(=O)N	PC-id_58135686	471.389	CITSAXOPCJMIGN-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144888
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)C[C@@H](CC(C)C)C(=O)N	PC-id_58135693	471.389	HINCELDJQPNMAR-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144889
Brc1cc(S(=O)(=O)N2CC[NH+](CC2)Cn2nc3n(c2=O)CCCCC3)ccc1	PC-id_40817753	471.392	KPZUNIDDYJHQKN-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-144890
Brc1cc(F)c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_20410046	471.407	AVXAIHAXGKSEAX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144891
Brc1cc(F)c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_20410039	471.407	KHGMPHUSUALZCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144892
c1(NC(=S)NC(=O)c2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)OCC	MCULE-8317719736,EMOLS-id_4457295,STOCK2S-75679,PC-id_1933151,ZINC22_2316561	471.42	AXCBFWWPTKUPSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144893
CC(OC(=O)C1=C(C)N(CC(c2c1c(n[nH]2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659370	471.42	JCZWYKCJVRPSSQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144894
CC(OC(=O)C1=C(C)N(CC(c2c1[nH]nc2C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659352	471.42	QVJGORSAFXPODH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144895
CC(OC(=O)C1=CN(CC(c2c1n(C)c(n2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659953	471.42	GCLSNARTIOAVOR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144896
CC(OC(=O)C1=CN(CC(c2c1nc(n2C)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659956	471.42	QYJWZSQDVYSJTJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144897
Brc1cn(nc1)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_20178187	471.435	XIOBJWGOZMZCFS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144898
Brc1cn(nc1)CCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_20176916	471.435	ZIBZUJKQCQVPNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144899
c1(NC(=S)NCCn2cc(cn2)Br)sc2c(CCCCC2)c1C(=O)OCC	PC-id_2957602,ZINC22_16361101,EMOLS-id_2244519,TIMTEC590893,MCULE-2625494956,CoCoCo_1001915	471.435	ZEWGZKIOKKUZPL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144900
Clc1cc(CNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_19649427	471.463	PXLZVTFEYHFMHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144901
Clc1c(CNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_19649625	471.463	MICWRDVGRYSIPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144902
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OCC)C#N	PC-id_41697268	471.483	XEVTYDXCYQPONE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144903
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)OC)C)C#N	PC-id_55416690	471.483	KBUFVRCDYNVNMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144904
COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2	ZINC22_3435003,CoCoCo_2861348,EMOLS-id_43703927,MCULE-1472107327,PC-id_2554788	471.49	QUNITZWUVKSZIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144905
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(c(c1C(=O)C)C)C(=O)OCC	PC-id_19523629	471.493	KXXCDNBJLGOPBC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-144906
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccc(c(OC)c3)OC)CCn12	MCULE-8651809337,PC-id_45181134,EMOLS-id_20446437	471.5	CLOPMQBBROARKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144907
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3cc(OC)cc(OC)c3)CCn12	MCULE-5727052164,EMOLS-id_20526681,ChEMBL-DNDi_CHEMBL33356197,PC-id_45199554	471.5	LPUBVYOHHDBMCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144908
CCOc1cc(CN2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)ccc1OC	EMOLS-id_20472817,MCULE-4849357827,ZINC22_20451156,CoCoCo_1232507,PC-id_28954747,CoCoCo_1232506	471.5	OARSTXJIBRAKBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144909
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1OC	CoCoCo_1195330,CoCoCo_1195331,ZINC22_14879841,PC-id_26275809	471.5	CLOPMQBBROARKJ-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144910
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1OC	CoCoCo_1195332,CoCoCo_1195333,PC-id_26275811,ZINC22_14879842	471.5	CLOPMQBBROARKJ-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144911
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc(OC)c1	CoCoCo_1309981,CoCoCo_1309982,ZINC22_12040931,PC-id_42371902	471.5	LPUBVYOHHDBMCN-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144912
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc(OC)c1	CoCoCo_1309984,PC-id_42371905,ZINC22_12040934,CoCoCo_1309983	471.5	LPUBVYOHHDBMCN-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144913
CCOC(=O)c1c(N)c(c2-c1ccc(cc2)CC(=O)NOCC(=O)N1CCCC1)C(=O)OCC	SCHEMBL7046135	471.503	HQIOCBCKSVXAEJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-144914
O=C1N(CCC1)CCONC(=O)Cc1ccc2-c(c(c(N)c2C(=O)OCC)C(=O)OCC)cc1	PC-id_9847570	471.503	YTFXAPFSGMIHSV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-144915
O(N(N1CCCC1=O)C(=O)Cc1ccc2-c(c(c(N)c2C(=O)OCC)C(=O)OCC)cc1)CC	PC-id_57219618	471.503	OAFVMKALYSJHHF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-144916
COC(=O)c1cc(c2-c1ccccc2)C#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_101370318	471.506	KHUOTHIZQARLHI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144917
O=c1n2CCCCCc2nn1CC(=O)N(c1c(n(CCCC)c(=O)[nH]c1=O)N)Cc1occc1	PC-id_55577767	471.51	LYFQFWWGNARABS-UHFFFAOYSA-N	00000000101000100101000000000010000000000000000000000000	31-01-144918
s1c2CCCCCc2c(c1NC(=O)COC(=O)C[N+]1=CN=C2N(C(=O)N(C(=O)C12)C)C)C#N	PC-id_78339477	471.51	TVGJQEXQMZODTJ-UHFFFAOYSA-O	00000011100010000101000000000110000000000000000000000000	31-01-144919
C=C/C=C(C(=C/C)C(F)(F)F)/c1[nH]c2=CCC=C(C=c2c1CC(=O)N(Cc1onc(c1)C)C)C	PC-id_143469721	471.515	UPDRNUMTZFEEEM-UQHXLPQESA-N	00000000100000000111000000000010000000000000000000000000	31-01-144920
O=C(c1csc2c1CCCC2)N1CCc2n(CC1)c(nn2)CNC(=O)c1c(F)cccc1F	PC-id_42435813,CoCoCo_1154968	471.523	VJJHQUMROKSYCW-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-144921
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)Cc1c2c(oc1)cc(OC)cc2)C(=O)OC	PC-id_3380185	471.523	YRCJZGWZCPFCKI-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-144922
CCN(CCC(=O)N1CCOCC1)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	EMOLS-id_25387564,MCULE-8445324750,PC-id_46049540	471.525	DONJXWWNAZRUMD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144923
CCOC(=O)c1c(sc2c1CCCCCC2)/N=C(/c1[n+]([nH]oc1=O)c1ccc(cc1)OC)[O-]	PC-id_136120524	471.526	KCGOBDHZBFBRDG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-144924
COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1	ZINC22_12649066,EMOLS-id_3070572,CoCoCo_3067485,PC-id_3589449,MCULE-6314567470	471.526	RVRANMLNUNOBNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144925
Fc1cccc(c1)C(=O)NCc1nnc2CCN(Cc3cccc(Oc4ccccc4)c3)CCn12	CoCoCo_1308052,MCULE-8088373711,ZINC22_20905589,ChEMBL-DNDi_CHEMBL33066035,PC-id_29208349,CoCoCo_1308051,EMOLS-id_20525399	471.526	XRSUQHGYFDTZLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144926
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(NC(=O)C)cc(OC)c(OC)c1)C#N	PC-id_31180085	471.526	ODAVBJCHHNKMMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144927
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNC(=O)c1cc(OC)c(OC)cc1)C#N	PC-id_41568748	471.526	PMVCIXBOKSZNSX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144928
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(cc1)C(=O)OC)C(=O)OCC	PC-id_4061734	471.526	STFMXCCMSHAWIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144929
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(cc1)C(=O)OC)C(=O)OCC	PC-id_6000647	471.526	STFMXCCMSHAWIT-ZMOGYAJESA-N	00000000100000110100000000000010000000000000000000000000	31-01-144930
COCCOCCOC(=O)NC(C(=O)NC1Cc2nnsc2CCNC(=O)C1=O)C(C)C	PC-id_138730373,SCHEMBL21109527	471.528	SLFAXSFDWRIMQD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144931
COCCOCCOC(=O)NC(C(=O)NC1CCc2nnsc2CNC(=O)C1=O)C(C)C	SCHEMBL21110144,PC-id_138730986	471.528	SJUWPQIETFDTAV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144932
COCCOCCOC(=O)NC(C(=O)NC1CCc2snnc2CNC(=O)C1=O)C(C)C	SCHEMBL21109223,PC-id_138730072	471.528	YUUVCZBOFYCLTD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-144933
C1CNC(=O)c2csc(n2)N[C@H](C(=O)N[C@@H](C/C=C/1)C(=O)NCC(=O)O)Cc1ccccc1	PC-id_136673118	471.529	IFHSCNIQHCEOHU-QJYJJXRGSA-N	00000000100000110111000000000010000000000000000000000000	31-01-144934
C1CNC(=O)c2csc(n2)N[C@@H](C(=O)N[C@@H](C/C=C/1)C(=O)NCC(=O)O)Cc1ccccc1	PC-id_136673119	471.529	IFHSCNIQHCEOHU-ILUPXTIESA-N	00000000100000110111000000000010000000000000000000000000	31-01-144935
COC[C@@H](Oc1cc(Oc2nc3c(s2)C(=O)NCCC3)cc(c1)C(=O)Nc1ccn(n1)C)C	SCHEMBL2074091,PC-id_15953154	471.529	QFUZTXMDYRTOOR-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144936
s1c2c(nc1Oc1cc(OC(COC)C)cc(c1)C(=O)Nc1nn(cc1)C)CCCNC2=O	PC-id_73204991	471.529	QFUZTXMDYRTOOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144937
CCOC(=O)NC(/C=C/c1c(C#N)c2=CC=C(CC=c2n1CC1CC1)OC(F)F)CC/C=CC	PC-id_143184422	471.539	CMHZQTAGBKETRQ-KFQDYXMLSA-N	00100000100000000110000000000010000000000000000000000000	31-01-144938
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCNS(=O)(=O)c1cc(F)c(F)cc1	PC-id_25444356	471.541	MQHYJSVCXSUWSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144939
CNC1C(=O)C=CC(=O)C1OC(=C)C1=C(O)/C(=C/c2cc(c3-c2c(C)ccc(c3)C(C)C)C)/C1=O	PC-id_144340023	471.544	XJAYNMLKUIWSJO-BKUYFWCQSA-N	00001110100011000110000000000010000000000000000000000000	31-01-144940
O=C(Oc1nn(c2c1CCCCC2Cc1ccc(cc1)F)S(=O)(=O)C)NCc1ccccc1	PC-id_66647537,SCHEMBL300526	471.544	MBRMHLHCRFBVHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144941
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1c(F)cccc1)C(C)C)C#N	PC-id_51582113	471.544	CUFQPTPGLYMHBN-NRFANRHFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144942
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@H](NC(=O)c1c(F)cccc1)C(C)C)C#N	PC-id_51919229	471.544	CUFQPTPGLYMHBN-OAQYLSRUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144943
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(NC(=O)c1c(F)cccc1)C(C)C)C#N	PC-id_45619191	471.544	CUFQPTPGLYMHBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144944
CC(C)(C)OC(=O)NC(CC=CCC1CCCCc2noc(=O)n12)(Cc1ccccc1)C(=O)O	PC-id_88180507	471.546	VLPXMOHYNRDDJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144945
CC(C)(C)OC(=O)NC(CC=CCC1CCCCc2noc(=O)n12)C(=O)OCc1ccccc1	PC-id_88180506	471.546	VWRRPAPUXMGOCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144946
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCCCN1CCCC1	PC-id_23296748,SCHEMBL8164840	471.546	HDTBMAVBNSNCKL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-144947
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCCN1CCCCC1	PC-id_53908148,SCHEMBL8164449	471.546	IBVJFNNNVXMYDK-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-144948
CCOC(=O)c1c2-c(ccc(cc2)CC(=O)N(C2CCCCN2)OCC)c(c1N)C(=O)OCC	PC-id_88054014,SCHEMBL6869374	471.546	GMOARFBSDJUTNA-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-144949
CCON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)N1CCCCC1	PC-id_23296757,SCHEMBL8164451	471.546	LHWZXAQRICRJJL-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-144950
o1nc2n(C(CCCC2)CC=CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)c1=O	SCHEMBL7651567,PC-id_59922997	471.546	VWRRPAPUXMGOCD-ANYOKISRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144951
o1nc2n(C(CCCC2)CC=CC[C@](NC(=O)OC(C)(C)C)(Cc2ccccc2)C(=O)O)c1=O	SCHEMBL7651571,PC-id_70153821	471.546	VLPXMOHYNRDDJC-BIAFCPFJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144952
o1nc2n(C(CCCC2)C/C=C/CC(NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)c1=O	PC-id_18387498	471.546	VWRRPAPUXMGOCD-VQHVLOKHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144953
O=C(OC(C)(C)C)N[C@H](C(=O)OCc1ccccc1)C/C=CCC1CCCCc2n1c(=O)on2	SCHEMBL7651561	471.546	VWRRPAPUXMGOCD-SFJUQNHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144954
S(=O)(=O)(N1CC(c2c(scc2)C(=O)C1C(=O)O)Cc1ccccc1)c1ccc(OC)cc1	PC-id_53887025	471.546	HNWKNYVFJBKIDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144955
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCCc3nnc4n3CCCCC4)cc2)ccc1F	ZINC22_12507845,PC-id_17484393,CoCoCo_4473004,EMOLS-id_15265454,MCULE-7696378325	471.548	BLZYNRWCBKTAPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144956
S(=O)(=O)(Nc1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1)c1cc(F)c(cc1)C	PC-id_55500792	471.548	YOLJXRNCZKPIID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144957
S(=O)(=O)(NC(Cc1ccccc1)C(=O)NCc1n2CCCCCc2nn1)c1c(F)cccc1	PC-id_24646626	471.548	WFPKGXLAWPTPIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144958
COCCNC(=O)CCN(CCOC)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-4356092291,PC-id_46049928,EMOLS-id_25388176	471.549	MWNNXRLULUVSGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144959
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccccc3c3ccco3)CCn12	MCULE-1248450172,PC-id_45186957,EMOLS-id_20471291	471.551	UBWHDZQOMBWJPM-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144960
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3ccc(cc3)OCc3ccccc3)CCn12	MCULE-5260887547,EMOLS-id_20557967,PC-id_45206724,ChEMBL-DNDi_CHEMBL40208465	471.551	NAAGLDJZBSAGCQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-144961
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2	CoCoCo_1355470,ZINC22_12280508,CoCoCo_1355469,PC-id_42500339	471.551	NAAGLDJZBSAGCQ-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-144962
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2	ZINC22_12280511,CoCoCo_1355471,CoCoCo_1355472,PC-id_42500341	471.551	NAAGLDJZBSAGCQ-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-144963
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccccc1c1ccco1)CC2	CoCoCo_1219604,ZINC22_11782614,CoCoCo_1219603,PC-id_42162587	471.551	FCJGJLSUQRQIDK-HXUWFJFHSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144964
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccccc1c1ccco1)CC2	ZINC22_11782615,CoCoCo_1219606,PC-id_42162589,CoCoCo_1219605	471.551	FCJGJLSUQRQIDK-FQEVSTJZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144965
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccccc3c3ccco3)CCn12	PC-id_45185225,EMOLS-id_20463923,MCULE-5401183803	471.551	FCJGJLSUQRQIDK-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144966
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccccc3c3ccco3)CCn12	EMOLS-id_20650597,MCULE-9880651276,CoCoCo_1494781,PC-id_42472440,CoCoCo_1494782,ZINC22_12218710	471.551	PYMSFWQYCKECNM-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144967
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccccc2c2ccco2)CC3)c1	ZINC22_11814038,CoCoCo_1230342,PC-id_42190478,CoCoCo_1230341	471.551	UBWHDZQOMBWJPM-IBGZPJMESA-N	00000000101000110101100000000010000000000000000000000000	31-01-144968
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccccc2c2ccco2)CC3)c1	ZINC22_11814040,CoCoCo_1230339,PC-id_42190480,CoCoCo_1230340	471.551	UBWHDZQOMBWJPM-LJQANCHMSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144969
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(c4ccccc4)cc2)CC3)o1	PC-id_42238175,ChEMBL-DNDi_CHEMBL23926299,CoCoCo_1241637,ZINC22_11871191,MCULE-5593273759,CoCoCo_1241636,EMOLS-id_20479225	471.551	SIBPYLMYQPCKRB-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144970
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)Cc1ccc(cc1)OCc1ccccc1	CoCoCo_1493442,PC-id_28375593,EMOLS-id_20649761,ZINC22_19812947,MCULE-9141870217,CoCoCo_1493443	471.551	FWMVVFRTCNRUTQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-144971
n12CCN(CCc1nnc2CCNC(=O)c1ccoc1)Cc1cccc(c1)OCc1ccccc1	ZINC22_14967484,CoCoCo_1458258,CoCoCo_1458257,PC-id_26326457,MCULE-6848352781,EMOLS-id_20626729	471.551	KRKZBTKHSKKEFZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-144972
n12CCN(CCc1nnc2CCNC(=O)COc1ccccc1)Cc1ccccc1c1ccco1	CoCoCo_1139043,CoCoCo_1139044,MCULE-9375886418,ZINC22_12053168,EMOLS-id_20405464,PC-id_42379622	471.551	WYXBTGCKGGVRLB-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-144973
O=C(N(C1CC1)CCC(=O)Nc1ccccc1)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46159970	471.551	ZYEFEBVORJJZJB-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-144974
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)c1c(F)ccc(F)c1)C)C#N	PC-id_55842616	471.563	WLIWDMRWIZKCEQ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-144975
COc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(O)(C)C)C(=O)O	PC-id_139605601	471.566	GGTVAMVQWKBOSH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-144976
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)NCCC(C)C)CC)cc1	PC-id_42854948	471.568	DPKLFMNSWACYRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144977
O=C(NC(C(=O)NC1Cc2ccsc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731030,SCHEMBL21110188	471.569	AILZJRXTUVIGSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144978
O=C(NC(C(=O)NC1Cc2cscc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730403,SCHEMBL21109557	471.569	ZICFZMNGVQCOOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144979
O=C(NC(C(=O)NC1Cc2sccc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730061,SCHEMBL21109212	471.569	OKYQHABXVRHKSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144980
O=C(NC(C(=O)NC1CCc2ccsc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731571,SCHEMBL21110778	471.569	LBYQTZFBLMOVMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144981
O=C(NC(C(=O)NC1CCc2cscc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110228,PC-id_138731070	471.569	PZLCRCIBHZSQCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144982
O=C(NC(C(=O)NC1CCc2sccc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110693,PC-id_138731491	471.569	GORNZFBPRYXJKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144983
O=C(NC(C(=O)NC1CCCc2ccsc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109471,PC-id_138730317	471.569	BTPIJVYDBBWDPH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144984
O=C(NC(C(=O)NC1CCCc2cscc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730156,SCHEMBL21109307	471.569	OVZBXNZYZQULID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144985
O=C(NC(C(=O)NC1CCCc2sccc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730687,SCHEMBL21109844	471.569	GHUSJXAAEXXWOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-144986
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)[C@@H](N1C(=O)C2C(CCCC2)C1=O)C)C)C#N	PC-id_55934884	471.569	OBSCDMQQWNACQJ-BGBDLWASSA-N	00000010100010000100000000000110000000000000000000000000	31-01-144987
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C(N1C(=O)C2C(CCCC2)C1=O)C)C)C#N	PC-id_76271444	471.569	OBSCDMQQWNACQJ-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-144988
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)C)C#N	PC-id_19633505	471.571	KSXDWILASAPUTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-144989
CC(C[C@H](c1nnc2n1CCN(CC2)C(=O)c1coc2c1C(=O)CCC2)NC(=O)C[NH+](C)C)C	PC-id_42454434,GD-id_ZINC12193881	471.572	WEAVNUBBXBDBCG-QGZVFWFLSA-O	00000000100010000101000000010010000000000000000000000000	31-01-144990
o1c2c(c(C(=O)N3CCn4c(nnc4CC3)[C@@H](NC(=O)C[NH+](C)C)CC(C)C)c1)C(=O)CCC2	PC-id_42454443	471.572	WEAVNUBBXBDBCG-KRWDZBQOSA-O	00000000100010000101000000010010000000000000000000000000	31-01-144991
o1c2c(c(C(=O)N3CCn4c(nnc4CC3)C(NC(=O)C[NH+](C)C)CC(C)C)c1)C(=O)CCC2	PC-id_74804594	471.572	WEAVNUBBXBDBCG-UHFFFAOYSA-O	00000000100010000101000000010010000000000000000000000000	31-01-144992
O=C(c1ccc(cc1)S(=O)(=O)Nc1cc[nH+]cc1)NNC(=O)c1cc2c(s1)CCCCC2	GD-id_ZINC28872534	471.572	APWOCTLGYVFTOI-UHFFFAOYSA-O	00000000100000111100000000000010000000000000000000000000	31-01-144993
O=C(NC(CC(C)C)c1n2CCN(CCc2nn1)C(=O)c1ccc(cc1)C(=O)OC)C[NH+](C)C	PC-id_74793734	471.572	LYIMAYZUOZYALY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144994
O=C(N[C@H](CC(C)C)c1n2CCN(CCc2nn1)C(=O)c1ccc(cc1)C(=O)OC)C[NH+](C)C	PC-id_42381919	471.572	LYIMAYZUOZYALY-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-144995
O=C(N[C@@H](CC(C)C)c1n2CCN(CCc2nn1)C(=O)c1ccc(cc1)C(=O)OC)C[NH+](C)C	PC-id_42381921	471.572	LYIMAYZUOZYALY-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-144996
s1c(c2nc(on2)CCCN2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55582489	471.576	AUOHUIWAKVOELK-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-144997
S(c1n2CCCCCc2nn1)CC(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CC	PC-id_73249245	471.576	DDTJGCMVZVEUMU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-144998
O=C(CC1CC1)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145452004	471.579	GLIVFUWAFQQQBD-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-144999
CC=CC=C(C=C)C(=C)SC1=C(c2c(CCC1)nc(s2)NC(=O)c1c(cccc1F)F)N	PC-id_89278410	471.586	WBRGPEYZHFAREE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145000
C/C=CC=C(C(=C)SC1=C(N)c2sc(nc2CCC1)NC(=O)c1c(F)cccc1F)/C=C	SCHEMBL14222430	471.586	WBRGPEYZHFAREE-SYBIFWDYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145001
O=C1N(CCCCCCCc2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)C(=O)c2c1cccc2	PC-id_10254186	471.587	VTSUOVLQFFIDAG-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-145002
O=C1N(CCCCCCCc2c3-c(c(c2)C(=O)OC)cc(C(C)C)ccc3)C(=O)c2c1cccc2	PC-id_10479894	471.587	GAVRNOYPGILJLO-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-145003
COc1ccc(cc1)S(=O)(=O)N1CCc2c([C@H]([C@@H]1C(=O)O)CCc1ccccc1)ccs2	PC-id_139966491	471.589	CVLOCTVTHYKBDQ-FYYLOGMGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145004
S(=O)(=O)(N1C(C(c2c(scc2)CC1)Cc1ccccc1)C(=O)OC)c1ccc(OC)cc1	PC-id_54556992	471.589	ZNWAEHASZWTXAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145005
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCc1ccccc1)C(=O)O)c1ccc(OC)cc1	PC-id_76441818	471.589	CVLOCTVTHYKBDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145006
S(=O)(=O)(N1CC(c2c(scc2)CC1C(=O)O)CCc1ccccc1)c1ccc(OC)cc1	PC-id_76495996	471.589	DEEJLEKZOHTUGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145007
S(=O)(=O)(N1C[C@@H](c2c(scc2)C[C@H]1C(=O)O)CCc1ccccc1)c1ccc(OC)cc1	PC-id_57229022	471.589	DEEJLEKZOHTUGZ-AVRDEDQJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145008
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)CCc1ccccc1)C(=O)O)c1ccc(OC)cc1	PC-id_57003826	471.589	CVLOCTVTHYKBDQ-GMAHTHKFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145009
CCC1OC(=O)C(C)C(O)C(C)C(P)C(C)Cc2nc(CC(=O)C(C(C1C)O)C)sc2	PC-id_57765043,SCHEMBL13780569	471.59	GXGGUBDMEWCODR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-145010
c1(NC(=S)NNC(=O)c2c(C)c3c(cccc3)o2)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_2472054,CoCoCo_998788,TIMTEC268248,MCULE-9477318872,PC-id_2210202	471.592	KOUJZBGOKCKCAC-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-145011
Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c(c1C)C(=O)N1CCCc2c(C1)ccs2)C(=O)N	SCHEMBL3585970,PC-id_25186131	471.592	PJUDAZANHACJCC-UHFFFAOYSA-N	00000000110000110100000000000010000000000000000000000000	31-01-145012
COc1cc(OC)c(OC)cc1CN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1	EMOLS-id_20424319,PC-id_28312925,MCULE-9015249677,CoCoCo_1164610,ZINC22_19745098,CoCoCo_1164609	471.592	WCACLENLTPCNNI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145013
s1c2c(CCCC2)c(c1NC(=O)C)C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_3574611	471.592	BYSABPNBWAAFDP-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-145014
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)c1sccc1)C#N	PC-id_27542079	471.592	VBWYUFSOIWADKE-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-145015
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(sc(c1C)C)NC(=O)C1CC1)C#N	PC-id_32750844	471.592	WQNZXZQNSNSVLA-UHFFFAOYSA-N	00100000100100000100000000000010000000000000000000000000	31-01-145016
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(c(cc1)C)C)C(=O)OC	PC-id_3482792	471.592	QHYXGMIBLUYTCJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145017
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1c(cccc1)C)C(=O)OCC	PC-id_4163004	471.592	UAUWGONFFROCEM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145018
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(ccc1)C)C(=O)OCC	PC-id_4350012	471.592	RPHPHGNZZZHPEL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145019
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(cc1)C)C(=O)OCC	PC-id_4607771	471.592	WTZOFQWFKYXNKV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145020
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)Cc1ccccc1)C(=O)OCC	PC-id_4107756	471.592	GLHMUAOBAUNSBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145021
s1c2CCCCCc2nc1NC(=O)c1ccc(S(=O)(=O)N(c2c(OC)cccc2)C)cc1	PC-id_24603966	471.592	OIKRDNVMJAWRRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145022
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(OC)c(OCc2ncsc2)cc1	PC-id_46578345	471.592	DXEZMEPAAAHLSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145023
s1c2c(CCCCCC2)c(c1NC(=O)CSc1oc(nn1)c1ccccc1)C(=O)OCC	PC-id_4420679	471.592	PVEZZNXYZUTBPF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145024
c12C(=O)N(CCCn1nc(C(=O)NC1CCN(CC1)Cc1ccccc1)c2)Cc1ccc(cc1)C	EMOLS-id_32846128,PC-id_50797943,MCULE-5785591145	471.594	YXGBKAGTHMPOGD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145025
c12C(=O)N(CCCn1nc(C(=O)NC1CCN(CC1)Cc1ccccc1)c2)Cc1cccc(C)c1	EMOLS-id_32633164,PC-id_53029193,MCULE-3078210444	471.594	UMCIPVXCEODLLN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145026
O=C1N(Cc2ccccc2)CC(=O)N(c2c1sc(n2)Sc1ccccc1)Cc1ccccc1	PC-id_142739093	471.594	DQVMSXWKRXTEBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145027
O=C1N(CCCN2CCN(CC2)c2ccccc2)CC/C(=N/O)/c2c1n(cc2)Cc1ccccc1	PC-id_20083218,SCHEMBL6990854	471.594	GHWUPPUTBVXLAL-WCTVFOPTSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145028
O=C1N(CCCN2CCN(CC2)c2ccccc2)CCC(N=O)c2c1n(cc2)Cc1ccccc1	PC-id_54325927	471.594	SUXRNWRLFVONEV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145029
O=C1N(CCCN2CCN(CC2)c2ccccc2)CCC(=NO)c2c1n(cc2)Cc1ccccc1	PC-id_73658806	471.594	GHWUPPUTBVXLAL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145030
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnc3n2CCCCC3)c1	EMOLS-id_3660369,MCULE-7108107767,CoCoCo_3081376,PC-id_16291311,ZINC22_9816802	471.596	KAEHMBNHQSVFLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145031
COc1ccc(cc1)c1nnc(n1CC(=O)NNC(=O)c1sc2c(c1)CCCCCC2)S	EMOLS-id_75938158,CoCoCo_4274838,PC-id_24553568	471.596	QBHFNFVUQMWOCV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145032
COC(=O)c1c2CCCCCCc2sc1NC(=O)CSc1nnc(c2ccncc2)n1C	MCULE-7722392939,PC-id_4904721,TIMTEC99143,CoCoCo_6614131,ZINC22_15021801,EMOLS-id_6826859	471.596	CIEUHLSPECBKDV-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-145033
COC(=O)c1c(NC(=O)CSc2nnc(c3ccc(C)cc3)n2N)sc2c1CCCCC2	PC-id_2411223,ZINC22_3295618,CoCoCo_3022864,MCULE-5672369243,EMOLS-id_43758921	471.596	ORHADHWVPLNKFR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145034
s1c2CCCCCc2cc1C(=O)NNC(=O)CCn1c(n[nH]c1=S)c1ccc(OC)cc1	PC-id_24554093	471.596	MXOAKQBTMNQCGA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145035
s1c2CCCCCc2cc1C(=O)NNC(=O)Cn1c(n[nH]c1=S)c1ccc(OCC)cc1	PC-id_24554098	471.596	RTAVZRKQDSUNBW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145036
s1c2c(CCCCC2)c(c1NC(=O)CCSc1n(nnn1)c1ccccc1)C(=O)OCC	PC-id_24084300	471.596	WBBIECSFFRYXPE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145037
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1cccnc1)C(=O)OC	PC-id_20126817	471.596	QLAJSURWWANMQM-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-145038
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccncc1)C(=O)OC	PC-id_20126924	471.596	VXWOMJTVEMMZBJ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-145039
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ncccc1)C(=O)OC	PC-id_20127050	471.596	USUWNRPYHBXRHH-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-145040
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cccnc1)C)C(=O)OCC	PC-id_17303573	471.596	IXJZUOOYYYGKAS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-145041
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ncccc1)C)C(=O)OCC	PC-id_20127029	471.596	SWQZYPDCYKLWLS-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-145042
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1n(nnn1)c1ccccc1)C)C(=O)OCC	PC-id_24108310	471.596	JELCXZCNBRTGAN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145043
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1n(nnn1)c1ccccc1)C(=O)OC	PC-id_24084301	471.596	OELNYDQUCVPBGO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145044
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cccnc1)C)C(=O)OC	PC-id_20126781	471.596	SQLCZPNNQAJSLK-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-145045
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ncccc1)C)C(=O)OC	PC-id_20126997	471.596	NKGZEXHWDUXNOI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-145046
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(nnn1)c1ccccc1)C(=O)OCC	PC-id_4362388	471.596	VLOFQAHNBPZXKY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145047
S(=O)(=O)(N1CCc2sccc2C1)c1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_46577337	471.596	NOKZKAUPMTVYIJ-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-145048
C1CC1CN1CCNc2c(C1=O)n(c(n2)CN1CCN(CC1)c1ccccn1)Cc1ccccc1	PC-id_134808329	471.597	DERMOLZVXOZXDN-UHFFFAOYSA-N	00100000100010111101100000000010000000000000000000000000	31-01-145049
CC1CC(C)c2c(C1)c(C)c(s2)NC(=O)NCc1c2CCNCCc2sc1C(F)(F)F	SCHEMBL20922494,PC-id_138564913	471.602	HCGGWPFLQLWLEX-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-145050
C1(CC(=O)N(CCCC)C1c1cccc(OC)c1OC)C(=O)Nc1sc2c(CCCCC2)n1	EMOLS-id_323374754,MCULE-4279621718	471.612	DXDJHFAMQRQKEK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-145051
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(OC)cc1)C(=O)OCC	PC-id_22198642	471.612	XIHCACIDYHYDMP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145052
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(OC)ccc1)C(=O)OCC	PC-id_22199475	471.612	UFHNWCLSSSXWSH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145053
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(OC)cccc1)C(=O)OCC	PC-id_22199524	471.612	UTGSDVBYXWLDQZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145054
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(OCC)cccc1)C(=O)OC	PC-id_22199551	471.612	UQKRSYOMLKZKSV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145055
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(OC)ccc1)C(=O)OC	PC-id_22195022	471.612	CAUWMDPJISAQPQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145056
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(OC)cc1)C(=O)OC	PC-id_22198617	471.612	CQSUWIXWABHWQE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145057
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(OC)ccc1)C(=O)OC	PC-id_22199443	471.612	MRUNJRXILBKQCT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145058
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(OC)cccc1)C(=O)OC	PC-id_22199494	471.612	AUSRELNKZZDSSU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145059
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cccc(OCC#N)c3)sc3c2CCCCCC3)c1	ZINC22_408971928	471.614	MCYDRXPTPGZFPI-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145060
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(OCC#N)cc3)sc3c2CCCCCC3)c1	ZINC22_408972279	471.614	OTISFWVMDKEDPQ-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145061
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1	PC-id_24421460	471.614	DNJJZEIKDZMLAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145062
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1sc(nc1C)c1ccsc1)C)C#N	PC-id_55427801	471.615	OLGLLBZXJKZNCW-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-145063
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(CCn12)C(=O)c1csc2CCCCc12	EMOLS-id_232768678,PC-id_45167170,MCULE-2468987338,ChEMBL-DNDi_CHEMBL69442950	471.616	BWTIHOAUDYCXBI-UHFFFAOYSA-N	00000010100010000101000000010010000000000000000000000000	31-01-145064
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)c1csc3c1CCCC3)CC2	ZINC22_12079445	471.616	BWTIHOAUDYCXBI-IIBYNOLFSA-N	00000010100010000101000000010010000000000000000000000000	31-01-145065
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)c1csc3c1CCCC3)CC2	ZINC22_12079446	471.616	BWTIHOAUDYCXBI-IERDGZPVSA-N	00000010100010000101000000010010000000000000000000000000	31-01-145066
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)c1csc3c1CCCC3)CC2	ZINC22_12079447	471.616	BWTIHOAUDYCXBI-HRAATJIYSA-N	00000010100010000101000000010010000000000000000000000000	31-01-145067
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)c1csc3c1CCCC3)CC2	ZINC22_12079448	471.616	BWTIHOAUDYCXBI-KKSFZXQISA-N	00000010100010000101000000010010000000000000000000000000	31-01-145068
COc1ccccc1CCC(=O)N1CCc2n(CC1)c(nn2)[C@H](NC(=O)C[NH+](C)C)CC(C)C	GD-id_ZINC11964358	471.616	YGAXJVGEWLXMEG-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145069
COc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)s2)cc1	CoCoCo_3023263,EMOLS-id_11689690,MCULE-5777838333,ZINC22_9983455,PC-id_3945723	471.619	MRNFYLNKXKFBBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145070
s1c2CCCCCc2c(c1NC(=O)CSc1sc(Nc2cc(OC)ccc2)nn1)C#N	PC-id_41433036	471.619	DAKAIJBHHVMTKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145071
s1c2CCCCCc2c(c1NC(=O)CSc1sc(Nc2c(OC)cccc2)nn1)C#N	PC-id_35689113	471.619	OIZXJEFIGNOKIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145072
CC/C=C(/N(C(C(=O)OC(C)(C)C)Cc1ccccc1)C)C=C/C(=C)c1cc2c(o1)CC=CC=C2	PC-id_142192650	471.63	NCHLRMXMDVHIKO-VEQJRPCDSA-N	00000000100000110110000000000010000000000000000000000000	31-01-145073
s1c2CCCCCCc2nc1NC(=O)C(NS(=O)(=O)c1c(F)cccc1)CCSC	PC-id_56021974	471.632	FYRUASXSNRSWJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145074
CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_3469249,MCULE-9562221023,EMOLS-id_15925448	471.635	YQIZGZNEYNSACJ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145075
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)C1	CoCoCo_1737277,ZINC22_9781706,PC-id_41209458	471.635	YQIZGZNEYNSACJ-IAGOWNOFSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145076
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)C1	PC-id_27368576,ZINC22_16837151,CoCoCo_1737276	471.635	YQIZGZNEYNSACJ-CALCHBBNSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145077
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)C1	ZINC22_9781703,CoCoCo_1737275,PC-id_41209454	471.635	YQIZGZNEYNSACJ-IRXDYDNUSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145078
O(CC(=O)N(C(C)C)C(C)C)c1c(OCC)cc(CNCCc2n3CCCCCc3nn2)cc1	PC-id_56436790	471.635	UCWARMYFUALGGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145079
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(CCCC)ccc2c1N)C(=O)OCC	PC-id_23772068	471.635	WFWLEAFZYVQMHW-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-145080
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(CC(C)C)ccc2c1N)C(=O)OCC	PC-id_24135294	471.635	IVVQPPIEEPMLHO-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-145081
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(c(c(c1C#N)C)C)C)C(=O)OCC	PC-id_23804427	471.635	MFXPHQKZCFDVCK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-145082
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(C(C)C)ccc1C#N)C(=O)OCC	PC-id_23917437	471.635	CHKMLWGMZAIJBT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-145083
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(CCC)ccc1C#N)C(=O)OCC	PC-id_23917438	471.635	AXGDKKPRIRASDS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-145084
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(CCCC)ccc1C#N)C(=O)OC	PC-id_23804424	471.635	UXKHQDLFWWCCER-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-145085
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(CC(C)C)ccc1C#N)C(=O)OC	PC-id_24001235	471.635	DMNXGHZBEULGLL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-145086
s1c2c(CCCCC2)c(c1NC(=O)CN1CC[NH+](CC1)C)C(=O)Nc1ccc(OCC)cc1	PC-id_51618331	471.635	XAPCNZUWINKJLR-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-145087
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(cc1)C(=O)C)C(=O)OC	PC-id_20408610	471.635	UDJRSEBVAVISPZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145088
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(C(=O)N2CCCC2)cc1)C(=O)OCC	PC-id_20408347	471.635	JSFLCTVRUIXFGA-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-145089
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)C(=O)OC	PC-id_20166791	471.635	RWBMJBZPDTVBIT-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145090
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(c(c(c2c1N)C)C)C)C(=O)OCC	PC-id_23801269	471.635	UHDVBKTVPSAZRX-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-145091
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(CCC)ccc2c1N)C(=O)OCC	PC-id_23772065	471.635	YPVABVUBFLDWJM-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-145092
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(C(C)C)ccc2c1N)C(=O)OCC	PC-id_24080935	471.635	HQRLKBFYHQNLGW-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-145093
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(CC(C)C)ccc2c1N)C(=O)OC	PC-id_23830041	471.635	CEYAJGOMXSAPFH-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-145094
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(CCCC)ccc2c1N)C(=O)OC	PC-id_24080941	471.635	WEBXGSFAFSNGDT-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-145095
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(c(c(c1C#N)C)C)C)C(=O)OC	PC-id_23746207	471.635	VPJATHNPZRYJPR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-145096
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(cc(c1C#N)C)C)C(=O)OCC	PC-id_23804432	471.635	OJOFIAKAXQBKLI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-145097
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(C(C)C)ccc1C#N)C(=O)OC	PC-id_23889460	471.635	NILLISOKAGVFNI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-145098
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(CCC)ccc1C#N)C(=O)OC	PC-id_24111204	471.635	LRIKKQWHZJJJEV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-145099
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(C(=O)N2CCCC2)cc1)C(=O)OC	PC-id_20408340	471.635	IYZOYRBQNZPAAV-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-145100
S(=O)(=O)(N(C1CCCCC1)C)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_24126244	471.635	NHKJNVYSYCOCDX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145101
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(CC=Cc3ccccc3)CCn12	MCULE-2624575590,PC-id_74800336	471.637	LZGITJZZKNWHHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145102
Cc1ccccc1c1cccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c1	EMOLS-id_20456129,ZINC22_14884226,PC-id_26279712,CoCoCo_1208736,CoCoCo_1208735,MCULE-9838438629	471.637	QOORRVUYWAEKNC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145103
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(C/C=C/c2ccccc2)CC3)c1	CoCoCo_1268094,PC-id_42372476,CoCoCo_1268092,ZINC22_12041556	471.637	LZGITJZZKNWHHW-MLYOZINFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145104
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(C/C=C/c2ccccc2)CC3)c1	PC-id_42372468,ZINC22_12041550,CoCoCo_1268088,CoCoCo_1268090	471.637	LZGITJZZKNWHHW-MUNMYPBESA-N	00000000100000110101000000000010000000000000000000000000	31-01-145105
CC(C)CC(NC(=O)c1cc(C)cc(C)c1)c1nnc2CCN(C/C=C/c3ccccc3)CCn12	PC-id_45193011,EMOLS-id_25998699	471.637	LZGITJZZKNWHHW-DHZHZOJOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145106
CC(C[C@H](c1nnc2n1CCN(CC2)C/C=Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C)C	CoCoCo_1268087,CoCoCo_1268089	471.637	LZGITJZZKNWHHW-YTILDKKBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145107
Ic1cc(Cl)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C#N)cc1	PC-id_68861284,SCHEMBL3975260	471.743	UNEBYWBZCASOFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145145
CC(C[C@@H](c1nnc2n1CCN(CC2)C/C=Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C)C	CoCoCo_1268091,CoCoCo_1268093	471.637	LZGITJZZKNWHHW-HYMLKPMKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145108
O=S(=O)(c1ccc(c2csc(Cc3nnc4n3CCCCC4)n2)cc1)N1CCCCCC1	ZINC22_9666748,CoCoCo_3890615,PC-id_16337899,EMOLS-id_3628010,MCULE-2158236452	471.639	OYGUWMZJOLAOJE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145109
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)Nc1scc(n1)C)C#N	PC-id_55816196	471.639	OVIXLTJMUHRKGV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-145110
S(c1n(c(nn1)C1CC1)CC1OCCC1)CC(=O)Nc1sc2CCCCCCc2c1C#N	PC-id_19726614	471.639	IQDBCMRDHFNDRP-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-145111
c1(c2CCCCCCCCCCc2sc1NC(=O)c1cccc(OCC)c1)C(=O)OC(C)C	EMOLS-id_4154071,TIMTEC316881,ZINC22_20177726,MCULE-4413425923,CoCoCo_6806546,PC-id_3253117	471.652	MRDASCPUDFOTNS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145112
c1(NC(=O)c2ccc(cc2)OCCC)sc2c(CCCCCCCCCC2)c1C(=O)OCC	PC-id_5172546,MCULE-5706929649,SPECS-id_AK-968/13779287,TIMTEC500465,CoCoCo_6790041,ZINC22_8443983,EMOLS-id_4154069	471.652	VHXHEQQFYZBFEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145113
[OH+]=C1C(=CC(=C(c2ccc3-c2ccccc3)c2ccc3-c2ccccc3)C=C1C(C)(C)C)C(C)(C)C	PC-id_101706330	471.652	HNGGZQSJPYQIMW-UHFFFAOYSA-O	00000010100011000110000000000010000000000000000000000000	31-01-145114
Cc1nc2c(s1)CCN(CC2)C(=O)CN(/C(=CC(=C)c1ccc(c(c1)C)C)/c1ccccc1)C	PC-id_145587964	471.657	ODRKYHPINNDRNR-IMRQLAEWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145115
c1(NC(=O)CSc2nnc(Cc3cccs3)n2CC)sc2c(CCCCCC2)c1C#N	EMOLS-id_4154073,CoCoCo_6838027,ZINC22_20214262,TIMTEC121800,PC-id_17303769,MCULE-3183796880	471.662	DHLWOZHXWJBAIH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-145116
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)C)C#N	PC-id_19718004	471.662	OABRQRLCLSOZNA-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-145117
s1c2CCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C)C#N	PC-id_19718139	471.662	UNYWLEMETHANBY-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-145118
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)C)C#N	PC-id_19721489	471.662	CLJHRSPQIMAERU-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-145119
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC)C#N	PC-id_19718583	471.662	AHVSVYQEMNVQKN-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-145120
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)C)C#N	PC-id_19719191	471.662	NVWYYJGUUBYEQS-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-145121
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)C)C#N	PC-id_19719963	471.662	WRZNYKKJFBRAOX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-145122
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC)C#N	PC-id_19720879	471.662	YEGLUKRQFBEZRS-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-145123
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1sccc1)C#N	PC-id_19725673	471.662	JIIPJFSRERWFTC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-145124
s1c2CCCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1sccc1)C#N	PC-id_19725818	471.662	IEXRYBOAPRRUEC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-145125
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC)C#N	PC-id_19717711	471.662	PRSOANQVNXEFNJ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-145126
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)C)C#N	PC-id_19718442	471.662	REOJMZKEQHFBHB-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-145127
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)C)C#N	PC-id_19720736	471.662	RIZQBOVFQKUSMN-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-145128
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(c(ccc1)C)C)C(=O)OCC	PC-id_19655122	471.678	CHRQOQKQCUIBLO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145129
s1c2c(CCCCC2)c(c1NC(=S)N1CC(N(CC1)c1ccc(cc1)C)C)C(=O)OCC	PC-id_19655354	471.678	SKLSLRVICIFWKE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145130
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccc(cc1)C)C(=O)OCC	PC-id_20175354	471.678	UDGHGDOREDXPQN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145131
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(cccc1)C)C(=O)OCC	PC-id_20175609	471.678	HEHRUMINFMHSCY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145132
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(CN2CCCCC2)cc1)C(=O)OCC	PC-id_20170970	471.678	HFCXJZKOOVGUTC-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145133
s1c2c(CCCCC2)c(c1NC(=S)NC1CCN(CC1)Cc1ccccc1)C(=O)OCC	PC-id_19654265	471.678	NMHYSTFZHRKTGG-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145134
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(c(ccc1)C)C)C(=O)OC	PC-id_19655115	471.678	XHUUISJQJFHUCB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145135
s1c2c(CCCCCC2)c(c1NC(=S)N1CC(N(CC1)c1ccc(cc1)C)C)C(=O)OC	PC-id_19655347	471.678	HYNDDEFDWZLONL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145136
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccc(cc1)C)C(=O)OC	PC-id_20175347	471.678	QOIJSDPTKJSETI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145137
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(cccc1)C)C(=O)OC	PC-id_20175602	471.678	YMEOHESGOWFCCT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145138
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccccc1)C(=O)OCC	PC-id_19654223	471.678	FSTQPYXRXSKLOS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145139
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(CN2CCCCC2)cc1)C(=O)OC	PC-id_20170964	471.678	BUKRADFCOCNNKJ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145140
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCN(CC1)Cc1ccccc1)C(=O)OC	PC-id_19654260	471.678	QGYJNCJJLUXAGF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145141
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)CC)C#N	PC-id_20125882	471.682	JLYDTBPRGJHPNT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-145142
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)CC)C#N	PC-id_20128478	471.682	PMYZDJFBLLWKBV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-145143
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)C)C#N	PC-id_20125770	471.682	YAGMHIPVMYYOQX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-145144
C1CN(Cc2cc(nn2C1)C(C(F)(F)F)O)C(=O)OCc1cc(cc(c1)Cl)C(F)(F)F	SCHEMBL16099845,PC-id_90460595	471.781	LHCYKPHNZIFYQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145146
Clc1ccc(cc1)Cn1c(Sc2cccc(c2)OC(F)(F)F)nc2c1COOCN2C	PC-id_117794128,SCHEMBL16364198	471.88	HGFMJFVCWKSRAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145147
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4cc5OCOc5cc4Cl)CCn23)c1	ZINC22_20451138,PC-id_28954737,MCULE-6356804882,CoCoCo_1232477,EMOLS-id_20472783,CoCoCo_1232476	471.912	LIJXIPITEXGHIH-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-145148
ClC1=Cc2sc(nc2CCC1)NC(=O)N1CCN(CC1C)c1ncccc1C(F)(F)F	PC-id_142919001	471.927	KUOOUDFWKFEDGF-UHFFFAOYSA-N	00000000100010101111100000000010000000000000000000000000	31-01-145149
Clc1c(cc(NC(=O)C[NH+]2CCN(CC2)Cc2n3CCCCCc3nn2)cc1)C(F)(F)F	PC-id_30634370	471.927	OMOBAOWBKSNALZ-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-145150
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	MCULE-9437157547,PC-id_45165778,ChEMBL-DNDi_CHEMBL14690514,EMOLS-id_20421987	471.937	UUXVJXYLYKORLX-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-145151
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	PC-id_28312415,ZINC22_19744350	471.937	UUXVJXYLYKORLX-OAQYLSRUSA-N	00000010101000100101000000001010000000000000000000000000	31-01-145152
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	ZINC22_19744352,PC-id_28312416	471.937	UUXVJXYLYKORLX-NRFANRHFSA-N	00000010101000100101000000001010000000000000000000000000	31-01-145153
Clc1ccc(cc1)S(=O)(=O)/N=C(/CCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-])[O-]	GD-id_ZINC29412652	471.953	LHJNLNVLXXXTRR-UHFFFAOYSA-L	00000010100000110110000000000010000000000000000000000000	31-01-145154
Clc1cc(N2CCCC2=O)c(cc1)C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_41577006	471.956	NXXUESUJYWYFQP-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-145155
Clc1n(nc(c1C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)C)c1ccc(F)cc1	PC-id_46534050	471.958	RNTJLCMGLISOOE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145156
Clc1ccc(c2scc(n2)C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_27142575	471.98	SVFIWGVFKBQFCA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145157
COCC(=O)NC(c1nnc2n1CCN(CC2)Cc1ccc(o1)c1ccc(cc1)Cl)C(C)C	ChEMBL-DNDi_CHEMBL42827620	471.98	XLJZKBJYXFDUAD-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-145158
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(c(OC)c3Cl)OC)CCn12	MCULE-7148040527,EMOLS-id_20487201,PC-id_45190611	472.001	DZQOSERXIYEPEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145159
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cc(OC)c(cc3Cl)OC)CCn12	ChEMBL-DNDi_CHEMBL55271767,EMOLS-id_20617165,PC-id_45220615,MCULE-3572578793	472.001	XJCAAYUOBGIAIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145160
COc1ccc(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)c(Cl)c1OC	CoCoCo_1253038,CoCoCo_1253037,ZINC22_20598405,PC-id_29084590	472.001	DZQOSERXIYEPEM-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145161
COc1ccc(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)c(Cl)c1OC	PC-id_29084589,CoCoCo_1253039,CoCoCo_1253040,ZINC22_20598404	472.001	DZQOSERXIYEPEM-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145162
CC(C)C(C(=O)CC1CCC2=C(CCNC(=O)C1=O)SN=N2)NC(=O)OCC3=CC=CC=C3	PC-id_147669108	472.178	GMWLLFRETYAXGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145182
COc1cc(Cl)c(CN2CCc3nnc([C@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1OC	CoCoCo_1443762,PC-id_26321921,CoCoCo_1443761,ZINC22_14960275	472.001	XJCAAYUOBGIAIK-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145163
COc1cc(Cl)c(CN2CCc3nnc([C@@H](NS(=O)(=O)C)C(C)C)n3CC2)cc1OC	PC-id_26321917,ZINC22_14960271,CoCoCo_1443764,CoCoCo_1443763	472.001	XJCAAYUOBGIAIK-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-145164
Clc1ccc(NC(=O)C2CCCN(C2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)nc1	PC-id_55816216	472.003	CPHYKKHCNVDCCX-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-145165
[Sb](c1c(Cl)c2-c(c1Cl)ccccc2)(c1ccccc1)c1ccccc1	PC-id_86021055	472.021	REEICOQJOIQZRW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-145166
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccc(Cl)cc1	ZINC22_9255659,CoCoCo_2841073,EMOLS-id_3526085,PC-id_3545212,MCULE-8628981668	472.026	GNGSZWYVCZWBMO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145167
Clc1c(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cccc1	PC-id_19728163	472.026	PUYCZINDDABKBT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145168
Clc1c(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cccc1	PC-id_19728084	472.026	AGUQLCSPGKGWGX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145169
Clc1cc(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)ccc1	PC-id_19728481	472.026	CHVUMDLMUXKQPE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145170
Clc1cc(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)ccc1	PC-id_19728386	472.026	AUFXSWBCHPHGKY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145171
Clc1ccc(c2n(c(SC(C(=O)Nc3sc4CCCCCc4c3C#N)C)nn2)C)cc1	PC-id_43014521	472.026	YBNSAJRVNZLCBC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145172
Clc1ccc(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc1	PC-id_19728654	472.026	VIUGSLSYJLXQQT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145173
Clc1ccc(c2n(c(S[C@@H](C(=O)Nc3sc4CCCCCc4c3C#N)C)nn2)C)cc1	PC-id_27302539	472.026	YBNSAJRVNZLCBC-CYBMUJFWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145174
Clc1ccc(c2n(c(S[C@H](C(=O)Nc3sc4CCCCCc4c3C#N)C)nn2)C)cc1	PC-id_27302541	472.026	YBNSAJRVNZLCBC-ZDUSSCGKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145175
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc1	PC-id_20124032	472.026	RJDZQVZXUDBCDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145176
Clc1ccc(C2(CCOCC2)CNC(C(=O)Nc2sc3c(CCCCC3)c2C#N)C)cc1	PC-id_56067013	472.043	APPRHYCUEHESOR-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-145177
COC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(CC2)SC(=C3CC4=CC=CC=C4)C(=O)NO	PC-id_154449651	472.113	YASZSYOPWAJMOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145178
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)F)C=C[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)OC	PC-id_154991282	472.138	FQJKLEMCAZKVOC-RHQOBYNCSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145179
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)NC(CO3)C(C#CC(C)(C)O)O)C#N	PC-id_160157879	472.142	RJGNJVKJSFCSSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145180
Brc1cc(CC2c3nc([nH]c3CCN(C2=O)C)NC)cc(Br)c1OC	PC-id_73294084	472.174	WDZYGOJKQTUJFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145181
CC1=C2C(=C(N1)C(=O)CC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC)CCCCC2=O	PC-id_164011887	472.203	ULFAMEOTESWCDR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145183
Ic1ccc2-c(c(c(OC(=O)OC)c2C(=O)OCC)C(=O)OCC)cc1	PC-id_58671980	472.228	GYVVSPKLWQBXDC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-145184
C1CC1CCC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_149117810	472.237	QYXMNAHLMDZXJK-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-145185
Brc1ccc(o1)C(=O)Nc1ccc(cc1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_112834534	472.335	OKPMCAVLSQWTAZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-145186
Ic1c(C(=O)Nc2sc3CCCCCCc3n2)cc(OC)c(OC)c1	PC-id_56345854	472.34	WDAIAVNVKIJEQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145187
Brc1c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cc(cc1)C(=O)[O-]	PC-id_25693595,GD-id_ZINC13059732	472.353	BFEMBEPTABOOHN-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-145188
Brc1c2c([nH]c1C(=O)OCC(=O)Nc1sc3CCCCCc3c1C#N)cccc2	PC-id_46459777	472.355	RECXBDUZLCMCQQ-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-145189
Brc1c2sc(CSCCCCCCCCCCSC2)c1Br	PC-id_10838166	472.365	OFMUUSLZZIOMBH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-145190
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)NC(C(C)(C)C)C(=O)N	PC-id_76571540	472.377	AUHNLMSFFGCQHJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-145191
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)NC(CC(C)C)C(=O)N	PC-id_76571578	472.377	HZLUIKFBFRYKFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-145192
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)N	PC-id_57635093,SCHEMBL12883213	472.377	AUHNLMSFFGCQHJ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-145193
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)N[C@@H](CC(C)C)C(=O)N	PC-id_57635630,SCHEMBL12882792	472.377	HZLUIKFBFRYKFJ-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-145194
C=CCn1c(=O)/c(=C/c2ccc(cc2Cl)Cl)/s/c/1=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3610890,PC-id_2309322	472.39	XODRNSNMRRLADU-ZTIIRTLXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145195
C=CCn1c(=O)/c(=C/c2ccc(cc2Cl)Cl)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3610891,CoCoCo_3610889,PC-id_2309324	472.39	XODRNSNMRRLADU-JXTOKFTNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145196
C=CCn1c(=O)c(=Cc2ccc(cc2Cl)Cl)sc1=C(c1nnc2n1CCCCC2)C#N	PC-id_3390701,EMOLS-id_44488424,MCULE-8486100966	472.39	XODRNSNMRRLADU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145197
C=CCn1c(=O)/c(=Cc2ccc(Cl)cc2Cl)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	CoCoCo_3610892,ZINC22_105753655	472.39	XODRNSNMRRLADU-AFAJQOOPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145198
Clc1c(/C=c/s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)CC=C)ccc(Cl)c1	PC-id_2309325	472.39	XODRNSNMRRLADU-ZWQUKDIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-145199
Clc1cc(C=c2sc(=C(c3n4CCCCCc4nn3)C#N)n(c2=O)CC=C)ccc1Cl	PC-id_3278899	472.39	HVKNZUCVSWZVIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145200
Brc1ccc(Sc2ncccc2C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55534613	472.401	DABPBBMVIXMXFB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145201
CC(OC(=O)C1=C(C)N(CC(c2c1nc(o2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659624	472.405	IGAPMVFDEBDZJA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145202
COC(c1n(C)cc2c1CCC(NS2(=O)=O)C(F)(F)F)Nc1ccnc(c1)C(F)(F)F	SCHEMBL21337329,PC-id_139471331	472.405	KCCSPOBHWJCFGK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-145203
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_20166133,ZINC22_32125459	472.408	KQYVYCYSXSKOFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145204
COc1c(Cl)cc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1Cl	PC-id_21234852,ZINC22_32125053	472.408	WKMFGVRCKYGXOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145205
CC(CCC1(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)COc2c(OC1)csc2)C	PC-id_122223592	472.409	UADRXBHPGYKNKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-145206
Clc1c(C(=O)NC(CCSC)C(=O)Nc2sc3CCCCCc3n2)ccc(Cl)c1	PC-id_55507140	472.452	NDMINXUJSXMMTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145207
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(c(c1C(=O)N)C)C(=O)OCC	PC-id_19523642	472.481	IXPAPMSSFNGAFA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-145208
Brc1nc2c(s1)CCN(CC2)CCCC1CCC(CC1)NC(=O)OC(C)(C)C	PC-id_145451642	472.483	DIOJHPNFQLXXSM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-145209
CC(C)(C)OC(=O)NC1Cn2c(cnn2)CN(C1=O)[C@H](c1ccccc1)C(=O)NCC(=O)OC	PC-id_134950524	472.494	CKQWGJLXJCSCIN-UHUGOGIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-145210
CCOC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14971161,PC-id_89584426	472.494	KQOWYURGUYJOLG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145211
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2cc(OC)cc(OC)c2)C)cc(F)cc1	PC-id_74800273	472.508	LPUBVYOHHDBMCN-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145212
Fc1c(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2cc(OCC)c(OC)cc2)c(F)ccc1	PC-id_42191466	472.508	OARSTXJIBRAKBV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145213
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2cc(OC)c(OC)cc2)C)cc(F)cc1	PC-id_74493873	472.508	CLOPMQBBROARKJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145214
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2cc(OC)cc(OC)c2)C)cc(F)cc1	PC-id_42371901	472.508	LPUBVYOHHDBMCN-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145215
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2cc(OC)cc(OC)c2)C)cc(F)cc1	PC-id_42371904	472.508	LPUBVYOHHDBMCN-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145216
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2cc(OC)c(OC)cc2)C)cc(F)cc1	PC-id_26275808	472.508	CLOPMQBBROARKJ-OAHLLOKOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145217
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2cc(OC)c(OC)cc2)C)cc(F)cc1	PC-id_26275810	472.508	CLOPMQBBROARKJ-HNNXBMFYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145218
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)C1=CC(=C=O)C(N=C1)NC(=O)OC(C)(C)C	PC-id_87289884,SCHEMBL1771238	472.514	CGCBQQPZKJNBJK-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-145219
Oc1c(C(C)(C)C)cc(C(c2c3-c(cc2)ccccc3)c2c3-c(cc2)ccccc3)cc1C(C)(C)C	PC-id_10743079	472.66	UUJBUXHCVDLYDT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-145386
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc([N+](=O)[O-])c(NCCOC)cc1)C#N	PC-id_28168296	472.514	AYGLBHSHCVXSBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145220
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_19659110	472.514	AVDDVIJGRCOHAQ-ZMOGYAJESA-N	00000000100000110100000000000010000000000000000000000000	31-01-145221
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc([N+](=O)[O-])cc1)C)C(=O)OCC	PC-id_73633606	472.514	AVDDVIJGRCOHAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145222
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc([N+](=O)[O-])ccc1)C)C(=O)OCC	PC-id_5221190	472.514	FVMHHTNXHWFFTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145223
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc([N+](=O)[O-])ccc1)C)C(=O)OCC	PC-id_9612658	472.514	FVMHHTNXHWFFTQ-ZMOGYAJESA-N	00000000100000110100000000000010000000000000000000000000	31-01-145224
s1cc(nc1)COc1c(OC)cc(C(=O)NCCc2n3CCCCCc3nn2)c([N+](=O)[O-])c1	PC-id_56046263	472.517	UTIDFYSEVDLURB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145225
CCn1c(=O)cccc1C(=O)NCCCCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671178,SCHEMBL21041549	472.524	TYERNJHTGWPTLP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-145226
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)OC)OC	PC-id_19102894,SCHEMBL9339494	472.532	URRAJTQUELFPRU-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-145227
O(c1cc2n(c(nc2cc(OC)c1=O)CCCC)Cc1c(c(ccc1)c1ccccc1)C(=O)O)C	PC-id_19822339	472.532	UIYUTXRULXPHHR-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-145228
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2cc(Oc3ccccc3)ccc2)ccc1	PC-id_42370540	472.534	XRSUQHGYFDTZLS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145229
s1c2c(CCCCCC2)c(c1NC(=O)c1[n+]([nH]oc1=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_53289747	472.534	KCGOBDHZBFBRDG-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-145230
O=C1N(CCC1N1CCC(CC1)C(=O)c1ccc2c(c1)CCO2)Cc1nc2c([nH]1)c(=O)cccc2	PC-id_118373924,SCHEMBL17086630	472.536	AWQYSQOZDHLPEP-UHFFFAOYSA-N	00000010100010100111100000001010000000000000000000000000	31-01-145231
O=C1N(CCC1N1CCC(CC1)C(=O)c1ccc2c(c1)OCC2)Cc1nc2c([nH]1)c(=O)cccc2	SCHEMBL17086617,PC-id_118373913	472.536	KNPZNMPVSLPMBB-UHFFFAOYSA-N	00000010100010100111100000001010000000000000000000000000	31-01-145232
N#CC(=CC1=C(N2CCOCC2)C(=Cc2cccc(c2)[N+](=O)[O-])CC1)c1nnc2n1CCCCC2	PC-id_4055554,MCULE-7918882994,EMOLS-id_317357352	472.539	MUPPMFXUHQZHLT-UHFFFAOYSA-N	00000011100010110101100000000010000000000000000000000000	31-01-145233
O=C(C1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCc1cccnc1	PC-id_46049579,EMOLS-id_25387580,MCULE-6455712315	472.539	DGRSVJFIVBXMMN-UHFFFAOYSA-N	00000010100000111101000000000010000000000000000000000000	31-01-145234
O=C([C@H]1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCc1cccnc1	PC-id_92986943	472.539	DGRSVJFIVBXMMN-JOCHJYFZSA-N	00000010100000111101000000000010000000000000000000000000	31-01-145235
O=C([C@@H]1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCc1cccnc1	PC-id_92986944	472.539	DGRSVJFIVBXMMN-QFIPXVFZSA-N	00000010100000111101000000000010000000000000000000000000	31-01-145236
O=C(N1C(CCC1)C(=O)NCc1ccncc1)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46159958	472.539	QFLHFBJYKPYERJ-UHFFFAOYSA-N	00000010100000111101000000000010000000000000000000000000	31-01-145237
CC(C)c1ccc2-c(cc(c2S(=O)(=O)O)CCCCNS(=O)(=O)c2ccc(cc2)Cl)cc1	PC-id_90770876	496.039	DYNYSSZUKCFWFE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151058
O=C(N1C(CCC1)C(=O)NCc1ncccc1)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46159894	472.539	XRKFGBQEIOBWHF-UHFFFAOYSA-N	00000010100000111101000000000010000000000000000000000000	31-01-145238
O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1	MCULE-3365987886,PC-id_2549431,ZINC22_3429946,EMOLS-id_3389723,CoCoCo_3310053	472.544	KGYRNHQKZNPFAI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145239
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(OC(F)(F)F)cc1)C(=O)OCC	PC-id_19680344	472.544	POGVYDCNNQRCPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145240
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)c1cc(F)c(F)cc1)C#N	PC-id_33700950	472.551	XRJBXBMMUPSOAP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145241
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1sc2c(c1COC)c(F)ccc2)C#N	PC-id_55392836	472.552	RJFKTZWBWSPNFQ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-145242
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1)C#N	PC-id_3937251	472.554	DEEGAZDMQBKQSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145243
s1c2c(CCN(CCc3ccccc3)C(=C(C2)C(=O)OC)C(=O)OC)c(c1N)C(=O)OCC	PC-id_75312799	472.554	QYJAYYZYBQUYJJ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-145244
s1c2CCCCCc2c(c1NC(=O)[C@H](OC(=O)c1c(C(=O)c2ccccc2)cccc1)C)C#N	PC-id_26727502	472.555	KWSIBDGJPZWWCG-QGZVFWFLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145245
s1c2CCCCCc2c(c1NC(=O)[C@@H](OC(=O)c1c(C(=O)c2ccccc2)cccc1)C)C#N	PC-id_26727503	472.555	KWSIBDGJPZWWCG-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145246
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c(C(=O)c2ccccc2)cccc1)C)C#N	PC-id_74504806	472.555	KWSIBDGJPZWWCG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145247
CCN(CC)CCNC(=O)C(C)NC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-4823515116,PC-id_46049508,EMOLS-id_25387078	472.556	MOTWDNWAEKXCAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145248
CCN(CC)CCNC(=O)CCNC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-8659629302,PC-id_46049548,EMOLS-id_25387908	472.556	HVOHVFCSUNVRCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145249
CCN(CC)CCNC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	PC-id_46049520,MCULE-3641548739,EMOLS-id_25387936	472.556	GVXGRYUIOSFJOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145250
CCN(CCNC(=O)[C@H](NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccc(cc1)F)C)CC	PC-id_92986860	472.556	MOTWDNWAEKXCAX-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145251
CCN(CCNC(=O)[C@@H](NC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccc(cc1)F)C)CC	PC-id_92986861	472.556	MOTWDNWAEKXCAX-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145252
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)NCCN(C)C)CC)cc1	PC-id_46159888	472.556	CMHZMAQYOLGGQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145253
c1(NC(=O)CCCc2onc(c3cc(OC)c(c(OC)c3)OC)n2)sc2c(CCCCC2)n1	MCULE-3485635286,EMOLS-id_323379584	472.557	FKDVKYBAHPYPFU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145254
CC(CC(C(=O)NC1Cc2snc(c2)CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21109550,PC-id_138730396	472.557	FQUFFQHHYITILV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145255
CCN(c1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)C)C(=O)OC(C)(C)C	SCHEMBL12649327,PC-id_88942008	472.557	ITJADUSKVVOWEH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-145256
CCN(c1ncc(cc1)C(=C1CCCc2c(C1=O)sc(n2)NC(=O)C)O)C(=O)OC(C)(C)C	PC-id_87289752	472.557	JUZOGOVUHCMGPI-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-145257
O=C(Cn1cnc2c1C(=O)CC(C)C(=O)C(C2)C)Nc1ccc(cc1)S(=O)(=O)N1CCCC1	SCHEMBL19392598	472.557	RUJBHPINAABGKF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-145258
O=C(NC(C(=O)NC1Cc2cnc(s2)CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110266,PC-id_138731106	472.557	XIHRUBVPQWAEQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145259
O=C(NC(C(=O)NC1Cc2cnsc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110198,PC-id_138731040	472.557	OXWNAKOKQWAUAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145260
O=C(NC(C(=O)NC1Cc2ncsc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109919,PC-id_138730761	472.557	WRTUNHKWRBNDOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145261
O=C(NC(C(=O)NC1Cc2nsc(c2)CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109573,PC-id_138730418	472.557	RGUAXARETKKINS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145262
O=C(NC(C(=O)NC1Cc2scnc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730685,SCHEMBL21109842	472.557	ZAOLDDZGWGHOCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145263
O=C(NC(C(=O)NC1Cc2sncc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109504,PC-id_138730350	472.557	BUHPAYWQPJNYQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145264
O=C(NC(C(=O)NC1CCc2cnsc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731077,SCHEMBL21110235	472.557	VKHUVKSYMVDOLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145265
O=C(NC(C(=O)NC1CCc2csc(n2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730766,SCHEMBL21109924	472.557	LLCQBZNKRIFAQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145266
O=C(NC(C(=O)NC1CCc2ncsc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731056,SCHEMBL21110214	472.557	YFSYIKHUWSFMNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145267
O=C(NC(C(=O)NC1CCc2scnc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731522,SCHEMBL21110724	472.557	PHSHGTRVWPAKNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145268
O=C(NC(C(=O)NC1CCc2sncc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110833,PC-id_138731625	472.557	WZMNCHONFDNGKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145269
O=C(NC(C(=O)NC1CCc2snc(c2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110850,PC-id_138731640	472.557	WBBGACCGCGTFLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145270
O=C(NC(C(=O)NC1CCCc2cnsc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731521,SCHEMBL21110723	472.557	DRCSRTZTUDYYHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145271
O=C(NC(C(=O)NC1CCCc2ncsc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730100,SCHEMBL21109251	472.557	UXCTVMITQAQZER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145272
O=C(NC(C(=O)NC1CCCc2scnc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731622,SCHEMBL21110830	472.557	OLFNHTKKHNEKFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145273
O=C(NC(C(=O)NC1CCCc2sncc2CNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109560,PC-id_138730406	472.557	QUHCGWJDJTZLSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145274
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_22198544	472.557	AZHUKGNCXFKSGC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145275
o1c(c2c(C[NH+]3CCn4c(nnc4CCNC(=O)c4ccc(OC)cc4)CC3)cccc2)ccc1	PC-id_42472439	472.559	PYMSFWQYCKECNM-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-145276
o1c(c2c(C[NH+]3CCn4c(nnc4CCNC(=O)COc4ccccc4)CC3)cccc2)ccc1	PC-id_42379621	472.559	WYXBTGCKGGVRLB-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-145277
o1c(c2c(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)c4cc(OC)ccc4)C)CC3)cccc2)ccc1	PC-id_42190477	472.559	UBWHDZQOMBWJPM-IBGZPJMESA-O	00000000101000110101100000000010000000000000000000000000	31-01-145278
o1c(c2c(C[NH+]3CCn4c(nnc4[C@H](NC(=O)c4cc(OC)ccc4)C)CC3)cccc2)ccc1	PC-id_42190479	472.559	UBWHDZQOMBWJPM-LJQANCHMSA-O	00000000101000110101100000000010000000000000000000000000	31-01-145279
o1c(c2c(C[NH+]3CCn4c(nnc4[C@H](NC(=O)COc4ccccc4)C)CC3)cccc2)ccc1	PC-id_42162586	472.559	FCJGJLSUQRQIDK-HXUWFJFHSA-O	00000000101000110101100000000010000000000000000000000000	31-01-145280
o1c(c2c(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)COc4ccccc4)C)CC3)cccc2)ccc1	PC-id_42162588	472.559	FCJGJLSUQRQIDK-FQEVSTJZSA-O	00000000101000110101100000000010000000000000000000000000	31-01-145281
o1c(c2c(C[NH+]3CCn4c(nnc4C(NC(=O)c4cc(OC)ccc4)C)CC3)cccc2)ccc1	PC-id_74777579	472.559	UBWHDZQOMBWJPM-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-145282
o1c(c2c(C[NH+]3CCn4c(nnc4C(NC(=O)COc4ccccc4)C)CC3)cccc2)ccc1	PC-id_74779829	472.559	FCJGJLSUQRQIDK-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-145283
o1c(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)c2ccccc2)ccc1COC	PC-id_42238174	472.559	SIBPYLMYQPCKRB-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-145284
O(c1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccoc3)CC2)cc1)Cc1ccccc1	PC-id_42472203	472.559	FWMVVFRTCNRUTQ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-145285
O(c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)C)CC2)cc1)Cc1ccccc1	PC-id_42500338	472.559	NAAGLDJZBSAGCQ-HXUWFJFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-145286
O(c1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)C)CC2)cc1)Cc1ccccc1	PC-id_42500340	472.559	NAAGLDJZBSAGCQ-FQEVSTJZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-145287
O(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)C)CC2)cc1)Cc1ccccc1	PC-id_74808153	472.559	NAAGLDJZBSAGCQ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-145288
S(c1n2CCCCCc2nn1)C(C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C	PC-id_74604610	472.564	DVPMMKUSLAJOSN-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-145289
S(c1n2CCCCCc2nn1)[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C	PC-id_30037427	472.564	DVPMMKUSLAJOSN-CQSZACIVSA-M	00000000100000110101000000000010000000000000000000000000	31-01-145290
S(c1n2CCCCCc2nn1)[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C	PC-id_30037429	472.564	DVPMMKUSLAJOSN-AWEZNQCLSA-M	00000000100000110101000000000010000000000000000000000000	31-01-145291
Pc1cccc(c1)Nc1nc(nc(c1)N1CCCCC1)N(CCc1c[nH]c2c1CC=CC=C2)C	PC-id_142159310	472.565	SDAOHRRTKMGGSY-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-145292
s1c2CCCCCCc2cc1C(=O)OCC(=O)N1CCN(CC1)c1c(F)cc(cc1)C(=O)C	PC-id_24568685	472.572	RFECKPVEUKBLMY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145293
O=C(c1sc2c(c1)CCCCCC2)NNC(=O)c1occc1CS(=O)(=O)c1ccccc1	PC-id_29954012,EMOLS-id_23694696,CoCoCo_4401561,MCULE-9633850953	472.577	PGMIDNBMVIAORR-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-145294
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OC)c(OCc2ncsc2)cc1)C(=O)OC	PC-id_52638576	472.577	AGWKZBQJZSJCPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145295
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CCc1sc2c(n1)cccc2)C(=O)OC	PC-id_4280568	472.577	KNVAXCXIFNZRAF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-145296
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1oc(CS(=O)(=O)c2ccccc2)cc1	PC-id_41637482	472.577	RICMNCSSWQEUBH-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-145297
S(=O)(=O)(N1C(C(c2c(scc2)CC1)Cc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_54154188	472.577	OJWFSQALRBWQFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145298
S(=O)(=O)(N1C(Cc2scc(c2CC1)Cc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_54175034	472.577	OXRQTWVWYSFAQB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145299
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)Cc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_54154189	472.577	OJWFSQALRBWQFS-UNMCSNQZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145300
OC1CN(CCN1CCCn1ccc2c1C(=O)N(CCC2=O)Cc1ccccc1)c1ccccc1	SCHEMBL6990400,PC-id_69954333	472.579	VRYSQSVNMZFPBE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145301
OC(Cn1ccc2c1C(=O)N(CCC2=O)Cc1ccccc1)CN1CCN(CC1)c1ccccc1	PC-id_20085249,SCHEMBL6990399	472.579	OUHZXRXGMAFNKE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145302
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(CCn12)C(=O)c1c(cccc1OC)OC	EMOLS-id_36570327,PC-id_45185771,MCULE-8665943769	472.58	JBWYYLOROMPJIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145303
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(CCn12)C(=O)c1cc(OC)ccc1OC	ChEMBL-DNDi_CHEMBL89676992,PC-id_45246433,EMOLS-id_20723909,MCULE-3329067286	472.58	PNFYBXSTMYDPNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145304
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)COc3ccc(cc3)OC)CCn12	EMOLS-id_20407994,ChEMBL-DNDi_CHEMBL12714356,PC-id_45172247,MCULE-3152573604	472.58	RMQFUZRGZXXVOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145305
CCCN(CCC)CCCNC(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89584370,SCHEMBL14971087	472.58	IIGCMBGDRPSRCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145306
COc1cccc(OC)c1C(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n2CC1	CoCoCo_1222970,ZINC22_11783510	472.58	JBWYYLOROMPJIA-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145307
COc1cccc(OC)c1C(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)CN(C)C)n2CC1	ZINC22_11783511,CoCoCo_1222971	472.58	JBWYYLOROMPJIA-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145308
COc1ccc(OC)c(C(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)c1	CoCoCo_1607221,ZINC22_14998987,PC-id_26354736	472.58	PNFYBXSTMYDPNT-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145309
COc1ccc(OC)c(C(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)c1	CoCoCo_1607222,PC-id_26354738,ZINC22_14998990	472.58	PNFYBXSTMYDPNT-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-145310
COc1ccc(OCC(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1	PC-id_42382218,ZINC22_12055791,CoCoCo_1142370	472.58	RMQFUZRGZXXVOY-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145311
COc1ccc(OCC(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1	ZINC22_12055787,PC-id_42382214,CoCoCo_1142369	472.58	RMQFUZRGZXXVOY-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145312
COC(=O)c1c(NC(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)sc2c1CCCCC2	CoCoCo_3122504,EMOLS-id_13387716,PC-id_4794498,MCULE-5274628074,ZINC22_16046290	472.58	RPYQNLNLXGTCTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145313
CS(=O)(=O)c1cccc(c1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCC(C1)O	PC-id_89125917	472.58	KMINJGYUKDCCPX-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-145314
OC1CCN(C1)C(=O)c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1cccc(c1)S(=O)(=O)C	SCHEMBL13591956	472.58	KMINJGYUKDCCPX-QZKAIBPBSA-N	00000010100000110111000000000010000000000000000000000000	31-01-145315
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1occc1)CC=C)C(=O)OC	PC-id_19724269	472.58	NSPSDFJEJGDJQB-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-145316
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1oc(nn1)c1cccnc1)C)C(=O)OCC	PC-id_44008179	472.58	VHANUNFKTYCMMA-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-145317
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1oc(nn1)c1ccncc1)C)C(=O)OCC	PC-id_44005978	472.58	AKCHVOBJIMUFBE-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-145318
c1(NC(=O)c2ccc(cc2)N(=O)=O)sc2c(CCCCCCCCCC2)c1C(=O)OCCC	MCULE-1487299156,PC-id_5093654,TIMTEC55907,ZINC22_2759837,EMOLS-id_4154743,CoCoCo_6790631	472.597	AOVPBHRWEIMTQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145319
Fc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)c(C)cn2Cc1ccccc1	SCHEMBL6780639,PC-id_22738086	472.597	SJLPANNRNHCZOZ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-145320
Cc1c2-c(c(cc2S(=O)(=O)Nc2ccc(cc2)N=Cc2ccccc2O)C)cc(cc1)C(C)C	PC-id_136099169	472.599	SQKZARPJVBVNQS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-145321
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccc(F)cc1)C(=O)OCC	PC-id_19677226	472.599	NFKYFODUGDXSLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145322
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1c(F)cccc1)C(=O)OCC	PC-id_20168626	472.599	LOWFALFAHADZDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145323
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(F)cc2)cc1)C(=O)OCC	PC-id_20166537	472.599	CDGZIKSMQYPIRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145324
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)cccc2)cc1)C(=O)OCC	PC-id_20168743	472.599	IEKVHCWUQXIDIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145325
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccc(F)cc1)C(=O)OC	PC-id_19677219	472.599	AOAHWGFSYFASHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145326
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1c(F)cccc1)C(=O)OC	PC-id_20168619	472.599	XHBLKTZCMIMNJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145327
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(F)cc2)cc1)C(=O)OC	PC-id_20166530	472.599	IQBOXUUYJVCEJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145328
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)cccc2)cc1)C(=O)OC	PC-id_20168736	472.599	RRYSVFDAKACQSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145329
S(=O)(=O)(c1c2-c(cc(ccc2C)C(C)C)c(c1)C)Nc1ccc(cc1)/N=C/c1ccccc1O	CHEMBL1837004	472.599	SQKZARPJVBVNQS-STBIYBPSSA-N	00000010100000110110000000000010000000000000000000000000	31-01-145330
S(=O)(=O)(Nc1ccc(N/C=C/C(=O)C=CC=C2)cc1)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_56672565	472.599	WESDBIFSKMTWBJ-OQKWZONESA-N	00000010100011110110000000000010000000000000000000000000	31-01-145331
S(=O)(=O)(Nc1ccc(NC=C2C(=O)C=CC=C2)cc1)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_76392128	472.599	WESDBIFSKMTWBJ-UHFFFAOYSA-N	00000010100011110110000000000010000000000000000000000000	31-01-145332
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)c(OC)c1)C1CCCCC1	PC-id_42449959	472.6	WCACLENLTPCNNI-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-145333
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)Cc1occc1	PC-id_76858940	472.6	PQVJMJOGDOUVSE-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-145334
CCCS1(=O)=Nc2c(C(=NC1=N)NC(=O)C(CCC)CCC)[nH]c(=O)n2Cc1ccccc1	SCHEMBL19134096	472.604	LHYLYGKRVNXLCK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145335
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3cnc(c4ccccc4)s3)CCn12	PC-id_45190776,MCULE-8513285299,EMOLS-id_20487893	472.605	JXLJELDGXFVIHX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145336
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cnc(s3)c3ccccc3)CCn12	CoCoCo_1286695,PC-id_42275192,ZINC22_11910923,EMOLS-id_20510751,CoCoCo_1286694,MCULE-4333196562	472.605	RNTAUBXADCQYAE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145337
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3nc(cs3)c3ccccc3)CCn12	CoCoCo_1340248,PC-id_42452175,CoCoCo_1340247,EMOLS-id_20547753,ZINC22_12191116,MCULE-8136474576	472.605	HMANLJPKXIQDNM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145338
Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	CoCoCo_1253980,ZINC22_11980500,CoCoCo_1253981	472.605	JXLJELDGXFVIHX-LJQANCHMSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145339
Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	CoCoCo_1253983,ZINC22_11980511,CoCoCo_1253982	472.605	JXLJELDGXFVIHX-IBGZPJMESA-N	00000000100000110101100000000010000000000000000000000000	31-01-145340
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C(=C(C)C)[C@@H]2CC3)sc2c1CCCCCCC2	PC-id_28698209,GD-id_ZINC20168301	472.617	LJIWTCOZEBXBSZ-NLEAXPPASA-M	00000010100010000100000000000110000000000000000000000000	31-01-145341
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C(=C(C)C)[C@@H]2CC3)sc2c1CCCCCCC2	PC-id_28698211,GD-id_ZINC20168302	472.617	LJIWTCOZEBXBSZ-JWWGGVBKSA-M	00000010100010000100000000000110000000000000000000000000	31-01-145342
s1c(NC(=O)C2C3C(=C(C)C)C(C2C(=O)[O-])CC3)c(c2c1CCCCCCC2)C(=O)OCC	PC-id_3559305	472.617	LJIWTCOZEBXBSZ-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-145343
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CC2)ccc1)C)C(=O)OC	PC-id_18908843	472.62	ZOVXIEAHCNKJMZ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-145344
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C2CC2)ccc1)C(=O)OCC	PC-id_18908877	472.62	UGKQTIPEGTZNMR-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-145345
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C2CC2)ccc1)C(=O)OC	PC-id_18908878	472.62	VARGYBIJALKQGD-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-145346
Cc1cn(c2c1C(=O)N(CCCN1CCN(CC1)c1ccccc1)CCC2O)Cc1ccccc1	PC-id_22738003,SCHEMBL6774150	472.622	PCTNIXBBJKTTRS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145347
COC1CCN(C(=O)c2c1n(cc2)Cc1ccccc1)CCCN1CCN(CC1)c1ccccc1	SCHEMBL6775746,PC-id_22738032	472.622	UQYBJKBDHLUXNQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145348
OC1c2n(cc(CCCN3CCN(CC3)C(c3ccccc3)c3ccccc3)c2C(=O)NCC1)C	PC-id_67594961,SCHEMBL8474156	472.622	JKFWDVZWPOHFNM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145349
Oc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)c(C)cn2Cc1ccccc1	PC-id_22738000,SCHEMBL6770050	472.622	HLGVKDLZUVWDRK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145350
O(C1CCN(CCCN2CCN(CC2)c2ccccc2)C(=O)c2c1n(cc2)C)Cc1ccccc1	SCHEMBL6780348,PC-id_22737949	472.622	LUIZKWUQHQUMNR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145351
OC1CCN(CCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)C(=O)c2c1n(cc2)C	PC-id_10528447,SCHEMBL6775517	472.622	CVVGVFNQGMIRMP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145352
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)cc1	ZINC22_13040066,PC-id_22197160,CoCoCo_3573686,MCULE-3762759062,EMOLS-id_48932842	472.623	VEOASRAOHFGYTM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145353
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC22_36452470,CoCoCo_4225771,PC-id_41208171	472.623	QDGRPTZKCCPFBL-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145354
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC22_36452471,CoCoCo_4225770,PC-id_41208174	472.623	QDGRPTZKCCPFBL-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145355
C[C@@H](Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4223991,PC-id_25393774,ZINC22_12609245	472.623	STYGRJBCQHCNKE-MRXNPFEDSA-N	00000010100000110100000000000010000000000000000000000000	31-01-145356
C[C@H](Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25393775,CoCoCo_4223992,ZINC22_12609247	472.623	STYGRJBCQHCNKE-INIZCTEOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-145357
N#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)c3ccccc3)CC2)sc2c1CCCCC2	PC-id_16316630,EMOLS-id_11747067,CoCoCo_3573765,ZINC22_23873147,MCULE-5785911791	472.623	DLEYQPRQWYOFAJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145358
N#Cc1c(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2)C)sc2c1CCCCC2	PC-id_16330392,MCULE-4198038720,EMOLS-id_43982124	472.623	QDGRPTZKCCPFBL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145359
N#Cc1c(NC(=O)C(Nc2cccc(c2)S(=O)(=O)N2CCCC2)C)sc2c1CCCCC2	MCULE-8053366728,PC-id_45354737,EMOLS-id_43981950	472.623	STYGRJBCQHCNKE-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-145360
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCCC2)c1C#N)c1ccccc1	PC-id_22197022	472.623	UNGBLPPNUIWDAE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145361
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(C/C=C/c1ccc(N(C)C)cc1)CC2	CoCoCo_1379723,ZINC22_12247696,CoCoCo_1379721,PC-id_42485088	472.625	BXIUNBDRKXJLGV-HWWNHIDJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145362
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(C/C=C/c1ccc(N(C)C)cc1)CC2	ZINC22_12247697,PC-id_42485090,CoCoCo_1379725,CoCoCo_1379727	472.625	BXIUNBDRKXJLGV-FNNXTJRKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145363
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(C/C=C/c3ccc(cc3)N(C)C)CCn12	PC-id_45210523,EMOLS-id_26006665	472.625	BXIUNBDRKXJLGV-JXMROGBWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145364
CN1CCCC(C1)C(=O)NCCc1nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12	EMOLS-id_20450451,PC-id_45182074,MCULE-6536543862	472.625	MLYBRAMALWPJNE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145365
CN1CCC[C@H](C(=O)NCCc2nnc3n2CCN(Cc2ccc(c4ccccc4)cc2)CC3)C1	CoCoCo_1200967,CoCoCo_1200965,ZINC22_14881786,PC-id_26277448,CoCoCo_1200964,CoCoCo_1200966	472.625	MLYBRAMALWPJNE-VWLOTQADSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145366
CN1CCC[C@@H](C(=O)NCCc2nnc3n2CCN(Cc2ccc(c4ccccc4)cc2)CC3)C1	CoCoCo_1200971,CoCoCo_1200969,ZINC22_14881785,CoCoCo_1200968,CoCoCo_1200970,PC-id_26277446	472.625	MLYBRAMALWPJNE-RUZDIDTESA-N	00000000100010110101100000000010000000000000000000000000	31-01-145367
n12CCN(CCc1nnc2C(C)NC(=O)CCc1ccccc1)CC=Cc1ccc(cc1)N(C)C	MCULE-1954393407,PC-id_74807750	472.625	BXIUNBDRKXJLGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145368
O=C(NC(c1nnc2n1CCN(CC2)Cc1ccc(cc1)N1CCCC1)C)CCc1ccccc1	ChEMBL-DNDi_CHEMBL41421128	472.625	FRFVJVBTISZFKZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-145369
O=C(N[C@@H](c1nnc2n1CCN(CC2)C/C=Cc1ccc(cc1)N(C)C)C)CCc1ccccc1	CoCoCo_1379722,CoCoCo_1379720	472.625	BXIUNBDRKXJLGV-AMZHIVGSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145370
O=C(N[C@H](c1nnc2n1CCN(CC2)C/C=Cc1ccc(cc1)N(C)C)C)CCc1ccccc1	CoCoCo_1379724,CoCoCo_1379726	472.625	BXIUNBDRKXJLGV-LWAZDOKKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145371
CSc1nc2n(n1)c(C)c(c(n2)C)CCC(=O)NNC(=O)c1sc2c(c1)CCCCCC2	CoCoCo_4274840,MCULE-4450560732,PC-id_24553554,EMOLS-id_19823623	472.627	OMTKZTLWWJNBFJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-145372
CS(=O)C1=CC(CC=C1)NC1=NCc2c(C=CCC=N1)nc(s2)C(=O)N1CCC(CC1)N	PC-id_89125940	472.627	BDMYGHLXDSZUOL-UHFFFAOYSA-N	00000000100011000111000000000010000000000000000000000000	31-01-145373
NC1CCN(CC1)C(=O)c1nc2c(s1)C/N=C(N=C/C/C=C)/NC1CC=CC(=C1)[S@](=O)C	SCHEMBL13591996	472.627	BDMYGHLXDSZUOL-KDJVRMFOSA-N	00000000100011000111000000000010000000000000000000000000	31-01-145374
s1c(nc2c1C/N=C(NC1CC=CC(=C1)[S@](=O)C)/N=CCC=C2)C(=O)N1CCC(N)CC1	PC-id_70947197	472.627	BDMYGHLXDSZUOL-MHOJMWSXSA-N	00000000100011000111000000000010000000000000000000000000	31-01-145375
C=CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1cc(C)ccc1C)CCCCCC2	ZINC22_408974348	472.642	YDBVEXHINZPHDV-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145376
s1c2c(CCCCCC2)c(c1N=Cc1ccc(OCC=C)cc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_23820976	472.642	IVPWGYFNTBKBCG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145377
s1c2c(CCCCCC2)c(c1N=Cc1ccc(OCC=C)cc1)C(=O)Nc1c(c(ccc1)C)C	PC-id_24097028	472.642	QMSUHFMBUNBULJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145378
CN(C)c1ccc(cc1)/C(=C
/C=Cc2c1ccc(=[N+](C)C)cc2)/c1c2-c(ccc(cc2)N(C)C)cc1	PC-id_135875062	472.643	JOWSQZPZTKHWMA-UHFFFAOYSA-N	00000011100000110110000000000010000000000000000000000000	31-01-145379
Cc1nc2c(s1)CCN(CC2)C(=O)Cn1nc(cc1c1ccccc1)C(=C)/C=CC(=C(C)C)C	PC-id_145587986	472.645	JJHNHBOJVHROLK-QXMHVHEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145380
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1ccccc1)CC(C)C)c1cc(cc(c1)C)C	PC-id_74800335	472.645	LZGITJZZKNWHHW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145381
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccccc1)CC(C)C)c1cc(cc(c1)C)C	PC-id_42372467	472.645	LZGITJZZKNWHHW-MUNMYPBESA-O	00000000100000110101000000000010000000000000000000000000	31-01-145382
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccccc1)CC(C)C)c1cc(cc(c1)C)C	PC-id_42372475	472.645	LZGITJZZKNWHHW-MLYOZINFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145383
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(=O)c2c(c(sc2n1)C)C)CC)C#N	PC-id_41033015	472.647	SGAKDCSMWPFCEV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-145384
[Si](OCc1c(CCn2c3NC=NCC(O)c3nc2)cc(cc1)C(=O)OCC)(C(C)(C)C)(C)C	PC-id_10624287	472.653	IBBNZKIALAEIJX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145385
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(C(C)(C)C)cc3)sc3c2CCCCCC3)c1	ZINC22_408970237	472.685	DEFCSXJQWCWGLQ-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-145387
[Si](CCOCOC1C(CCC(=C=CC(c2oc1c(c2)C)C(=C)C)C(=O)OC)C(=C)C)(C)(C)C	PC-id_85276873	472.689	QRVLHVWILOIDJQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-145388
[Si](CCOCO[C@@H]1[C@@H](CCC(=C=C[C@H](c2oc1c(c2)C)C(=C)C)C(=O)OC)C(=C)C)(C)(C)C	PC-id_10814323	472.689	QRVLHVWILOIDJQ-OFQOKIKGSA-N	00000000100000000110000000000010000000000000000000000000	31-01-145389
C/C=C/c1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=C/C	PC-id_143208868	472.703	HWVKJQCAIDXTPJ-AFPVCRNPSA-N	00000010100000000110000000000010000000000000000000000000	31-01-145390
s1c2c(CCCCC2)c(c1NC(=S)NC(c1ccc(C(CC)C)cc1)CC)C(=O)OCC	PC-id_19675623	472.706	UIGBIIACWPHTNE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145391
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(C(C)C)cccc1C(C)C)C(=O)OCC	PC-id_19687902	472.706	GYMQSHSOSQSCDL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145392
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(C(C)C)cc1)CC)C(=O)OCC	PC-id_20179608	472.706	VJMMRJKSXYCLHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145393
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(C(CC)C)cc1)CC)C(=O)OC	PC-id_19675616	472.706	SSIXSLDZWNPHPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145394
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(C(CC)C)cc1)C)C(=O)OCC	PC-id_20168483	472.706	MSXIDEBSPXCBIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145395
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(C(C)(C)C)cc1)C)C(=O)OCC	PC-id_20179686	472.706	LTKMPKYCUZWPLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145396
Brc1cc(Cl)c(OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_4038316	472.78	JDKIULSVTFSCAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145397
COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Br)sc2c1CCCCC2	MCULE-8080973357,EMOLS-id_43786891,PC-id_2485950,ZINC22_3368259,CoCoCo_3126128	472.78	DKIFZVNAHYSGMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145398
CNC(=NC)NCc1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_144720779	472.892	XCZIECHFCITPOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145399
OCCCN1CC(=O)N(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)F)C	PC-id_139478626,SCHEMBL21345327	472.897	FUWAFSFIWZXHRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145400
Clc1c(CN2CCN(CC2)C(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)ccc(F)c1	PC-id_19527734	472.907	XORWGYZMMCWXBS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145401
Clc1c(CN2CCN(CC2)C(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(F)ccc1	PC-id_19527747	472.907	NRZUSLTYWFSSCP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145402
[Se]=c1[se]c2c([se]1)[Se]CCC[Se]2	PC-id_101062895	472.912	AGZFIVWHICYMAU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-145403
O=C(Cc1cccc(c1)F)NCc1nnc2n1CC[N@H+](CC2)Cc1cc2OCOc2cc1Cl	GD-id_ZINC11814844	472.92	LIJXIPITEXGHIH-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-145404
Clc1c(c2noc(c2C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)C)c(F)ccc1	PC-id_46524639	472.943	BASNIVZAWBFCMG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145405
CC([C@H](c1nnc2n1CC[N@@H+](CC2)Cc1cc2OCOc2cc1Cl)NC(=O)c1cocc1)C	GD-id_ZINC11975808,PC-id_42326566	472.945	UUXVJXYLYKORLX-OAQYLSRUSA-O	00000010101000100101000000001010000000000000000000000000	31-01-145406
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ccoc3)C(C)C)CC2)cc2OCOc2c1	PC-id_42326574	472.945	UUXVJXYLYKORLX-NRFANRHFSA-O	00000010101000100101000000001010000000000000000000000000	31-01-145407
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3ccoc3)C(C)C)CC2)cc2OCOc2c1	PC-id_74843505	472.945	UUXVJXYLYKORLX-UHFFFAOYSA-O	00000010101000100101000000001010000000000000000000000000	31-01-145408
Clc1sc2CCCCN(c2c1)C(=O)c1c(OC)cc(NC(=O)c2c(ccc(F)c2)C)cc1	SCHEMBL6989393,PC-id_21467158	472.959	HSUQWRPNUSVESH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145409
Clc1sc2CCCCN(c2c1)C(=O)c1c(OC)cc(NC(=O)c2c(c(F)ccc2)C)cc1	SCHEMBL6995626,PC-id_69955768	472.959	PZDVAAXJLTYVFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145410
Clc1cc(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc1OCC(=O)O	PC-id_56268861	472.963	FEMKEZQZHABQJX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145411
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1ccccc1)Cc1cc(ccc1)Cl	PC-id_134805592	472.966	NOGCMVXIUHUTHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145412
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_4645581,MCULE-3983542051,ZINC22_2744960,TIMTEC269675,CoCoCo_6617592,SPECS-id_AK-968/12384166,EMOLS-id_4154979	472.984	KQJMQJILLAKCPA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145413
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_4154983,PC-id_1743988,MCULE-6059911396,ZINC22_2085604,SPECS-id_AK-968/12713183,CoCoCo_6785870,TIMTEC276937	472.984	KYNDSIVXALAOQJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145414
Clc1c(c2noc(c2C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)C)cccc1	PC-id_5084835	472.984	GKVKBVULQJZGNZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145415
Clc1ccc(cc1)NS(=O)(=O)CCCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	GD-id_ZINC29410472	473.004	WJYVAMIXAPXRQE-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-145416
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NS(=O)(=O)C)C(C)C)CC2)ccc(OC)c1OC	PC-id_42329153	473.009	DZQOSERXIYEPEM-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145417
Clc1c(C[NH+]2CCn3c(nnc3[C@H](NS(=O)(=O)C)C(C)C)CC2)ccc(OC)c1OC	PC-id_42329159	473.009	DZQOSERXIYEPEM-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145418
Clc1c(C[NH+]2CCn3c(nnc3C(NS(=O)(=O)C)C(C)C)CC2)ccc(OC)c1OC	PC-id_74843671	473.009	DZQOSERXIYEPEM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145419
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)C=Cc3ccccc3Cl)CCn12	MCULE-2873083472,PC-id_74777707	473.011	AYZCEWQAIULGEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145420
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)/C=C/c1ccccc1Cl)CC2	CoCoCo_1232227,PC-id_42191320,ZINC22_11814731	473.011	AYZCEWQAIULGEQ-SQUSKLHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145421
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)/C=C/c1ccccc1Cl)CC2	ZINC22_11814733,CoCoCo_1232230,PC-id_42191324	473.011	AYZCEWQAIULGEQ-XTXLJPNXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145422
CC(C)CC(NC(=O)CN(C)C)c1nnc2CCN(CCn12)C(=O)/C=C/c1ccccc1Cl	PC-id_45187259,EMOLS-id_25996039,ChEMBL-DNDi_CHEMBL22733759	473.011	AYZCEWQAIULGEQ-MDZDMXLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145423
CC(C[C@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1ccccc1Cl)NC(=O)CN(C)C)C	CoCoCo_1232228	473.011	AYZCEWQAIULGEQ-GDCKJWNLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145424
CC(C[C@@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1ccccc1Cl)NC(=O)CN(C)C)C	CoCoCo_1232229	473.011	AYZCEWQAIULGEQ-QJRAZLAKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145425
Clc1ccc(C(=O)NC(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)C(C)C)cc1	PC-id_46534041	473.011	RZCFLNNZEKROHJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145426
Clc1c(C(=O)N(C2CCCCC2)C)ccc(NC(=O)NCCc2n3CCCCCc3nn2)c1	PC-id_60486838	473.011	KZPCLTMXCQNPCB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145427
Clc1c(C(=O)NC(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)C(C)C)cccc1	PC-id_46449541	473.011	XSCHRTTYSFUNOO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145428
Clc1c(c2n(N)c(SC(C(=O)Nc3sc4CCCCCc4c3C#N)C)nn2)cccc1	PC-id_24496403	473.014	FCFIIDWUXSZIBM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145429
Clc1ccc(OCCN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)cc1	PC-id_24446447	473.031	GXJKVGMKMBJTGF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145430
C/C=CC(=C/CF)C[C@@H]1CCC2=C(N(C=C2S(=N)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_154991343	473.17	JAOQRWAHMIERSE-XGYOAILKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145431
CC1=C2C(=C(N1)C(=O)CC3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OC)CCCCC2=O	PC-id_163659261	473.198	IUZXDADMDCEABI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145432
CC1=C2C(=C(N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC)CCCCC2=O	PC-id_153617030	473.198	DDRHNLQKGDBMGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145433
Brc1ccc(cc1)Oc1ccc(cc1)C(=O)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965706,PC-id_89580114	473.277	OEZFTXFMJFGXLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145434
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)N)CC(CNC2=O)(C)C	SCHEMBL4505040,PC-id_57395008	473.304	ABSKEGXPTPLQJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145435
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)O)CC(CNC2=N)(C)C	SCHEMBL4508839,PC-id_69072393	473.304	KBHNEQUWGOJHOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145436
c12CCCCCc1c(C(=O)OCC)c(NC(=O)Cn1cc(I)cn1)s2	MCULE-3181323386,PC-id_5300591,EMOLS-id_6825519,ZINC22_12413887	473.328	VROCDQRLMYKREX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-145437
Brc1cc(F)c(C(NC(=O)Cn2nc3n(CCCCC3)c2=O)c2ccccc2)cc1	PC-id_55989993	473.338	PODXLTFLSGXQNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145438
Brc1c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cc(cc1)C(=O)O	CoCoCo_3538148,MCULE-6264598347,PC-id_22108833,EMOLS-id_13567326	473.361	BFEMBEPTABOOHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145439
Clc1cc(ccc1C(=O)N1CCCC(=O)c2c1ccs2)NC(=O)c1cccc(c1C)Cl	PC-id_69954707,SCHEMBL6991662	473.372	PEGVYGMDBGPTIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145440
Brc1ccc(Oc2ccc(NC(=O)CSc3n4CCCCCc4nn3)cc2)cc1	PC-id_24371244	473.386	BEVOUJKZMRGFNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145441
COC(=O)Oc1c2-c(c(c1NC(=O)C)OC(=O)OC)ccc(cc2)CC1C(=O)NC(=O)NC1=O	SCHEMBL8470406,PC-id_17776111	473.39	RRRSATNELBMQOX-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-145442
Brc1cc(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)c(OCC)cc1	MCULE-1444653799,CoCoCo_3538105,PC-id_17522567,EMOLS-id_16741068	473.404	SQVBETRSWXYZQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145443
Brc1cc(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc1OC	PC-id_24421463	473.404	VEYVMKTVIZGWSD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145444
Brc1cc(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)c(OC)cc1	PC-id_26952093	473.404	KOZQTSYYKNABCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145445
O=CNc1ccc(cc1/C(=C/c1[nH]c2c(c1C)C(=O)N(CCC2)CCN(C)C)/C)Br	PC-id_145511579	473.406	SUAGJSBBUWUPQK-NTCAYCPXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145446
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1Cl)NC(=O)c1cccc(c1C)C	PC-id_69954499,SCHEMBL6990881	473.415	PFYKJDNBQMPRCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145447
Clc1c(C(=O)N2CCCCc3sccc23)c(Cl)cc(NC(=O)c2c(c(ccc2)C)C)c1	PC-id_57047557	473.415	YOZVWTZNHJUMAK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145448
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)Nc1ccc(cc1)OC(F)F)[N+](=O)[O-]	PC-id_89580313,SCHEMBL14965982	473.429	GZOSPSJUTFZVSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145449
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)Nc1cc(ccc1)OC(F)F)[N+](=O)[O-]	SCHEMBL14965927,PC-id_89580275	473.429	VKCYPBFDVBZGJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145450
FC(F)(F)c1cc(NC(=O)c2cc(NC(=O)Cn3nc4n(CCCCC4)c3=O)ccc2)ccc1	PC-id_55478061	473.448	GYTHRPAVGBEPCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145451
CC(OC(=O)C1=CN(CC(c2c1c(cs2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659946	473.456	OHGKGHABDUEQFW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-145452
CC(OC(=O)C1=CN(CC(c2c1cc(s2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659954	473.456	JGOWLIMCHIHCFA-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-145453
CC(OC(=O)C1=CN(CC(c2c1sc(c2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659943	473.456	MBKIPUFLXFKFAZ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-145454
CC(OC(=O)C1=CN(CC(c2c1scc2C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659945	473.456	MDINKJDBRPGHAT-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-145455
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(c(c1C(=O)OC)C)C(=O)OC	PC-id_19523630	473.466	SJBNTIZMMXXXEJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-145456
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)c1c(F)c(F)c(F)cc1	PC-id_55582509	473.469	XEMFPHDXVRNIQP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145457
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOC(=O)N1CCOCC1	PC-id_54110406,SCHEMBL8226048	473.476	NGRUAZYFSAHSBD-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-145458
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OCC(NS2(=O)=O)(C)Cc1noc(c1)C	SCHEMBL18352851	473.477	ZZZNAGJTNSHMLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145459
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)OC	PC-id_19687588	473.489	CLKXDEZRNAOXSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145460
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3ccc(cc3)OC(F)(F)F)CCn12	EMOLS-id_20426497,PC-id_45176543,MCULE-7475652010	473.491	CVELWVYIJXUBAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145461
Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2	CoCoCo_1167636,ZINC22_11787721,CoCoCo_1167635,PC-id_42168151	473.491	CVELWVYIJXUBAQ-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145462
Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2	PC-id_42168149,ZINC22_11787720,CoCoCo_1167634,CoCoCo_1167633	473.491	CVELWVYIJXUBAQ-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145463
FC(F)(F)c1ccccc1CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1	MCULE-9881813739,CoCoCo_1151016,CoCoCo_1151015,PC-id_28310621,ZINC22_19741705,EMOLS-id_20414384	473.491	KZCZURVHKYAWBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145464
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])cc(OCC)c(OC)c1)C#N	PC-id_28037461	473.499	XKGUQNGMMNUVFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145465
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c([N+](=O)[O-])cc(OC)c(OCC)c1)C#N	PC-id_28188530	473.499	VFMIZUGVKHFNHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145466
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1Cn1nc([N+](=O)[O-])cc1C)C)C(=O)OC	PC-id_19442532	473.502	ZPSDQDOFHKUWQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-145467
O=C1C(CCn2c(N1C)cc(n2)COS(=O)(=O)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367306	473.506	RUPLOZKKFIUCIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145468
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(c1ccc(F)cc1)C)C(=O)OC	PC-id_55435604	473.517	INZASMDFQYWWKU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-145469
CCCCNC(=O)CONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	SCHEMBL8151797,PC-id_23296731	473.519	SHLJLKIAIVUVKY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-145470
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)[N+](N1CCCC1)(OCC)[O-]	SCHEMBL7046136	473.519	CRAJAKFUDKNTJS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-145471
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCCN1CCOCC1	PC-id_88054882,SCHEMBL6877132	473.519	VOGIOIHTGDMQOL-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-145472
O(c1c(C(=O)NCCc2n3CCCCCc3nn2)cc(CN2C(=O)c3c(C2=O)cccc3)cc1)C	PC-id_55535030	473.524	NHZDWAKZLUTRNF-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-145473
O=C1NC(=O)N(C(N)C1N(Cc1occc1)C(=O)Cn1nc2n(CCCCC2)c1=O)CCCC	PC-id_76247188	473.525	UVQSMYALUJVBFU-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-145474
c1(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4634332347,TIMTEC594550,EMOLS-id_6826751,PC-id_5301407,CoCoCo_1713812,ZINC22_12413880	473.532	ZIXAFFHBSBCXKR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-145475
CCOc1c(ccc(c1)/C=N/NC(=O)C(=O)Nc1c(c2c(s1)CCCCC2)C(=O)OCC)O	PC-id_135615516	473.542	MNSTXYIRQAXGRH-ZMOGYAJESA-N	00000000100000110100000000000010000000000000000000000000	31-01-145476
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4ccc(cc4)c4ccco4)CCn23)cc1	ZINC22_20997475,CoCoCo_1350421,CoCoCo_1350422,MCULE-5200940789,PC-id_29257230,EMOLS-id_20554637	473.542	RWKBTWOOPFRVHU-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-145477
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NNC=C1C=C(OCC)C(=O)C=C1)C(=O)OCC	PC-id_6816918	473.542	YTRMGXAYZJWROO-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-145478
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC)ccc(OC)c1)C(=O)OCC	PC-id_3657495	473.542	OISKUWQAVQXRGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145479
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC)ccc(OC)c1)C(=O)OCC	PC-id_9629867	473.542	OISKUWQAVQXRGR-ZMOGYAJESA-N	00000000100000110100000000000010000000000000000000000000	31-01-145480
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC)c(OC)ccc1)C(=O)OCC	PC-id_4412935	473.542	NUIUCLJEVCIDBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145481
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC)c(OC)ccc1)C(=O)OCC	PC-id_9669447	473.542	NUIUCLJEVCIDBX-ZMOGYAJESA-N	00000000100000110100000000000010000000000000000000000000	31-01-145482
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(NC(=O)c2ccccc2)cccc1)C#N	PC-id_29928666	473.544	PCZYUJJGEYGWOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145483
CC(C(C(=O)NC1CCc2nnsc2CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21110795,PC-id_138731588	473.545	ZZUALIVLVYQUAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145484
CN/C=CC(=NC(=O)c1cc(O[C@H](COC)C)cc(c1)Oc1sc2c(n1)CCCNC2=O)N	PC-id_143391732	473.545	AETRNFHNCNTCOO-WOLRVDTOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145485
O=C(NC(C(=O)NC1Cc2nnsc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110691,PC-id_138731489	473.545	KEZFPAVUIQLZGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145486
O=C(NC(C(=O)NC1Cc2snnc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109268,PC-id_138730117	473.545	LPWCEXMBHOFRSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145487
O=C(NC(C(=O)NC1CCc2snnc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109318,PC-id_138730167	473.545	OJFKEOFDCKMYDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145488
s1c2c(CCCCC2)c(c1NC(=O)CCCn1c2c(n(c(=O)n(c2=O)C)C)nc1)C(=O)OC	PC-id_55763044	473.545	OCUCIVPARIMYJA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-145489
CCOC(=O)c1c(N)c(c2-c1ccc(cc2)CC(=O)NOCCCN(CC)CC)C(=O)OCC	SCHEMBL8160341,PC-id_23296742	473.562	PSZPGCQXKKRENP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-145490
S(=O)(=O)(N1C(C(c2c(scc2)C(O)C1)Cc1ccccc1)C(=O)O)c1ccc(OC)cc1	PC-id_53810501	473.562	FOTDTGNXDHPEJD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145491
c1(C(CC(C)C)NC(=O)CCOC)nnc2CCN(C(=O)COc3ccc(cc3)OC)CCn12	PC-id_45249213,MCULE-2447625600,EMOLS-id_20735235	473.565	MCCVPJNFDYEWMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145492
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)Cc1cccc(c1)C(=O)O)nn2)C	PC-id_134828986	473.565	YIHVNXWRMZXIKO-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-145493
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Oc1ccc(cc1)C)nn2)C	PC-id_134828971	473.565	UDTFBRXOVPUXPG-WOIUINJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145494
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)OCc1ccccc1)nn2)C	PC-id_134828936	473.565	GTUXEXKGMOAKHD-IPJJNNNSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145495
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Oc2ccc(C)cc2)OCc2cnnn2CCCC1=O	BindingDB-id_197827,BindingDB_PC-id_44492054,CHEBI:112479,PC-id_44492054	473.565	YRBTUIBMTXMQGX-IPJJNNNSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145496
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)OCc2ccccc2)OCc2cn(nn2)CCCC1=O	CHEBI:97037,CHEMBL1864343,PC-id_44485063	473.565	STPKXVJXGDPGFM-DXIQSLLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145497
COCCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C(=O)COc1ccc(OC)cc1)CC2	CoCoCo_1624607,ZINC22_15006659,PC-id_26361828	473.565	MCCVPJNFDYEWMM-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145498
COCCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)COc1ccc(OC)cc1)CC2	ZINC22_15006657,CoCoCo_1624608,PC-id_26361827	473.565	MCCVPJNFDYEWMM-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145499
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)C(=O)O)C	PC-id_75036174	473.565	FGOUEVIRJHPFDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145500
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1c(cccc1)C(=O)O)C	PC-id_75036183	473.565	CAZSXMOIBWGYHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145501
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cc(ccc1)C(=O)O)C	PC-id_75036200	473.565	KJBVXRQFCXJDBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145502
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc2OCOc2cc1)C	PC-id_75036264	473.565	GOEWTOAFXZXQCM-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-145503
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)O)C	PC-id_75036178	473.565	PGVYAARZEICSIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145504
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(ccc1)C(=O)O)C	PC-id_75036195	473.565	PSXRWHUTFZNORG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145505
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(cccc1)C(=O)O)C	PC-id_75036393	473.565	RPJWUJIMZSYYNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145506
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCc1ccccc1	PC-id_75036257	473.565	DLYGSNKXPRYVCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145507
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cc2OCOc2cc1)C	CHEBI:96002,PC-id_44483917	473.565	ZLSVBQPGKZIPOU-STSQHVNTSA-N	00000010100000100101000000001010000000000000000000000000	31-01-145508
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cc2OCOc2cc1)C	CHEBI:96866,PC-id_44490306	473.565	ZLSVBQPGKZIPOU-BSRJHKFKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-145509
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cc2OCOc2cc1)C	PC-id_44488164,CHEBI:113480	473.565	ZLSVBQPGKZIPOU-IUKKYPGJSA-N	00000010100000100101000000001010000000000000000000000000	31-01-145510
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cc2OCOc2cc1)C	PC-id_44488165,CHEBI:97016	473.565	ZLSVBQPGKZIPOU-IXFSTUDKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-145511
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cc2OCOc2cc1)C	PC-id_44488166,CHEBI:96884	473.565	ZLSVBQPGKZIPOU-PMAPCBKXSA-N	00000010100000100101000000001010000000000000000000000000	31-01-145512
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cc2OCOc2cc1)C	PC-id_44489276,CHEBI:113479	473.565	ZLSVBQPGKZIPOU-PNCHPQGNSA-N	00000010100000100101000000001010000000000000000000000000	31-01-145513
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1c(OC)cccc1)C(=O)OC	PC-id_3354692	473.565	IWWVCRZANVDCMN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145611
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cc2OCOc2cc1)C	PC-id_44490873,CHEBI:96751	473.565	ZLSVBQPGKZIPOU-YZZKKUAISA-N	00000010100000100101000000001010000000000000000000000000	31-01-145514
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cc2OCOc2cc1)C	PC-id_44491462,CHEBI:113521	473.565	ZLSVBQPGKZIPOU-IEGUWTFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-145515
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O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1c(cccc1)C(=O)O)C	PC-id_44505037	473.565	CAZSXMOIBWGYHZ-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145522
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1cc(ccc1)C(=O)O)C	PC-id_44505063	473.565	KJBVXRQFCXJDBK-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145523
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O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1c(cccc1)C(=O)O)C	PC-id_44505230	473.565	CAZSXMOIBWGYHZ-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145525
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O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc2OCOc2cc1)C	PC-id_44505468,CHEBI:112532	473.565	GOEWTOAFXZXQCM-IUKKYPGJSA-N	00000010100000100101000000001010000000000000000000000000	31-01-145560
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc2OCOc2cc1)C	PC-id_44505638,CHEBI:113307	473.565	GOEWTOAFXZXQCM-IEGUWTFLSA-N	00000010100000100101000000001010000000000000000000000000	31-01-145561
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc2OCOc2cc1)C	PC-id_44505641,CHEBI:113344	473.565	GOEWTOAFXZXQCM-IXFSTUDKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-145562
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)O)C	PC-id_44498143	473.565	PGVYAARZEICSIA-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-145563
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)O)C	PC-id_44505018	473.565	PGVYAARZEICSIA-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-145564
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)O)C	PC-id_44505022	473.565	PGVYAARZEICSIA-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145565
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(ccc1)C(=O)O)C	PC-id_44505051	473.565	PSXRWHUTFZNORG-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145566
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(ccc1)C(=O)O)C	PC-id_44505054	473.565	PSXRWHUTFZNORG-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145567
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)O)C	PC-id_44505471	473.565	PGVYAARZEICSIA-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145568
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(ccc1)C(=O)O)C	PC-id_44505488	473.565	PSXRWHUTFZNORG-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-145569
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)O)C	PC-id_44505639	473.565	PGVYAARZEICSIA-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145570
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(cccc1)C(=O)O)C	PC-id_44505644	473.565	RPJWUJIMZSYYNK-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145571
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(cccc1)C(=O)O)C	PC-id_44505645	473.565	RPJWUJIMZSYYNK-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145572
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(ccc1)C(=O)O)C	PC-id_44505651	473.565	PSXRWHUTFZNORG-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145573
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)O)C	PC-id_44505875	473.565	PGVYAARZEICSIA-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145574
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(cccc1)C(=O)O)C	PC-id_44505882	473.565	RPJWUJIMZSYYNK-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-145575
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(cccc1)C(=O)O)C	PC-id_44505886	473.565	RPJWUJIMZSYYNK-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145576
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(ccc1)C(=O)O)C	PC-id_44505893	473.565	PSXRWHUTFZNORG-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145577
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(ccc1)C(=O)O)C	PC-id_44505895	473.565	PSXRWHUTFZNORG-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145578
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(ccc1)C(=O)O)C	PC-id_44505897	473.565	PSXRWHUTFZNORG-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-145579
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)O)C	PC-id_44506047	473.565	PGVYAARZEICSIA-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145580
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)O)C	PC-id_44506050	473.565	PGVYAARZEICSIA-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145581
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(cccc1)C(=O)O)C	PC-id_44506059	473.565	RPJWUJIMZSYYNK-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145582
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1cc(ccc1)C(=O)O)C	PC-id_44506082	473.565	PSXRWHUTFZNORG-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145583
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(cccc1)C(=O)O)C	PC-id_44619361	473.565	RPJWUJIMZSYYNK-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145584
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(cccc1)C(=O)O)C	PC-id_44620243	473.565	RPJWUJIMZSYYNK-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-145585
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1c(cccc1)C(=O)O)C	PC-id_54631278	473.565	RPJWUJIMZSYYNK-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145586
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(cc1)C	CHEBI:112495,CHEMBL1875033,PC-id_44488157	473.565	YRBTUIBMTXMQGX-KNKQGSTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145587
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(cc1)C	PC-id_44483911,CHEBI:112571	473.565	YRBTUIBMTXMQGX-XQBPLPMBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145588
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(cc1)C	PC-id_44488158,CHEBI:97038	473.565	YRBTUIBMTXMQGX-JQVVWYNYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145589
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(cc1)C	PC-id_44489268,CHEBI:97009	473.565	YRBTUIBMTXMQGX-DXIQSLLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145590
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(cc1)C	PC-id_44489806,CHEBI:96999	473.565	YRBTUIBMTXMQGX-NNMXDRDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-145591
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(cc1)C	PC-id_44491452,CHEBI:112651	473.565	YRBTUIBMTXMQGX-WOIUINJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145592
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(cc1)C	PC-id_44491454,CHEBI:112509	473.565	YRBTUIBMTXMQGX-CNNODRBYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145593
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCc1ccccc1	CHEBI:113398,PC-id_44505589	473.565	DLYGSNKXPRYVCA-WOIUINJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145594
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCc1ccccc1	CHEBI:113453,PC-id_44505783	473.565	DLYGSNKXPRYVCA-JQVVWYNYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145595
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCc1ccccc1	PC-id_44505201,CHEBI:113429	473.565	DLYGSNKXPRYVCA-XQBPLPMBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145596
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCc1ccccc1	PC-id_44505408,CHEBI:113365	473.565	DLYGSNKXPRYVCA-NNMXDRDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-145597
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCc1ccccc1	PC-id_44505409	473.565	DLYGSNKXPRYVCA-CNNODRBYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145598
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCc1ccccc1	PC-id_44505587,CHEBI:96261	473.565	DLYGSNKXPRYVCA-DXIQSLLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145599
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCc1ccccc1	PC-id_44505590	473.565	DLYGSNKXPRYVCA-KNKQGSTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145600
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)OCc1ccccc1	PC-id_44505592	473.565	DLYGSNKXPRYVCA-IPJJNNNSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145601
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NCc2occc2)cc1	PC-id_24554143	473.565	BRFRUSJGSGDUPN-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-145602
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s1c2c(CCCCC2)c(c1NC(=O)CCSc1[n+](noc1[O-])c1ccccc1)C(=O)OC	PC-id_53294173	473.565	KOGBABXPSSHCPQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145604
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)C#N	PC-id_24376706	473.565	KULDHEIZBYPHIK-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145605
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNS(=O)(=O)C=Cc1ccccc1)C#N	PC-id_74266322	473.565	KULDHEIZBYPHIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145606
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccccc1)C)C(=O)OC	PC-id_53292395	473.565	MQKHCPIHUSTRNB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145607
s1c2c(CCCCC2)c(c1NC(=O)CSc1[n+](noc1[O-])c1ccccc1)C(=O)OCC	PC-id_53292313	473.565	CKCKGYVSFDXTEG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145608
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s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)ccc1)C(=O)OC	PC-id_4591130	473.565	WOBOCSKTORLVQC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145610
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)COc1ccccc1)C(=O)OC	PC-id_3404286	473.565	RAMFSUSZRIMMPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145612
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[n+](noc1[O-])c1ccccc1)C(=O)OC	PC-id_53292327	473.565	LUTZYSLFWBVBLK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145613
c1cccc(CN(C)C(=O)CCNC(=O)c2cc3n(n2)CCCN(Cc2c(C)cccc2)C3=O)c1	EMOLS-id_25388088,PC-id_46049791,MCULE-1218795703	473.567	ZPQJRMPHNPTKFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145614
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O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)N(Cc1ccccc1)C)C)Cc1cc(ccc1)C	PC-id_46049744	473.567	KAJVQUWIAYMDNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145635
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NC(c1ccccc1)C)C)Cc1cc(ccc1)C	PC-id_46050011	473.567	POLGMOWQKRYQCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145636
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NC(c1ccccc1)C)C)Cc1ccc(cc1)C	PC-id_46159980	473.567	FDHNBEDESXANMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145637
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCc1ccccc1)C)Cc1ccc(cc1)C	PC-id_42855076	473.567	FKQNADWDDMQSRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145638
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCc1ccccc1)C)Cc1c(cccc1)C	PC-id_42855130	473.567	HVODYJJGAOSYCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145639
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCc1ccccc1)C)Cc1ccc(cc1)C	PC-id_46049969	473.567	SNBKMDIXKOGNEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145640
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCc1ccccc1)C)Cc1cc(ccc1)C	PC-id_46050002	473.567	MDWNWVUISNQOMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145641
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCc1ccccc1)C)Cc1cc(ccc1)C	PC-id_46050014	473.567	CDFVOXOJJYNAEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145642
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCc1ccccc1)C)Cc1c(cccc1)C	PC-id_46159994	473.567	XLEKKRDWLMNTFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145643
O=C(NCc1n2CCN(CCc2nn1)Cc1ccc(cc1)C#CC(O)(C)C)c1c(OC)cccc1	PC-id_30854379	473.567	YIYVEARZTAYTMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145644
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(nnn1)c1ccc(OC)cc1)C(=O)OC	PC-id_2689539	473.568	IOGWVOUKAAYIPF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145645
O=C(N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(NC(=O)Nc2ccccc2)cc1	PC-id_46534016	473.57	BMWYQQRAVIAIRA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145646
CC(C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)Sc1nnc2n1CCCCC2	MCULE-8884001606,EMOLS-id_23530322,PC-id_42902470	473.572	DAPKDJODVIZBMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145647
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	CoCoCo_3081887,ZINC22_22134386,PC-id_30037430	473.572	DAPKDJODVIZBMB-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145648
Cc1ccc(cc1)S(=O)(=O)NCC1CN(CCn2c1ccc2)S(=O)(=O)c1ccccc1C	PC-id_101877835	473.608	BFBPFHOGNZLCTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145685
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	PC-id_30037428,ZINC22_22134385,CoCoCo_3081886	473.572	DAPKDJODVIZBMB-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145649
CN(C1CCN(CC1)CCOc1ccccc2-c1c(C)cc2/C=C/1C(=O)Nc2c1cc(F)cc2)C	BindingDB_PC-id_52947592,CHEMBL1258710,PC-id_52947592	473.582	IDCWDTUFGXJWSF-UQQQWYQISA-N	00000010100010100110000000001010000000000000000000000000	31-01-145650
Fc1cc2C(=Cc3c4-c(c(OCCN5CCC(N(C)C)CC5)cccc4)c(c3)C)C(=O)Nc2cc1	PC-id_73952821	473.582	IDCWDTUFGXJWSF-UHFFFAOYSA-N	00000010100010100110000000001010000000000000000000000000	31-01-145651
C=C=C(C(=O)CC[C@H]1CCn2c(N(C1=C=C)C)cc(n2)C)N=C1[C@@H](F)C[C@H](N1C)c1ccccc1	PC-id_142375324	473.585	ZYERFLACVHPFCS-HWBMXIPRSA-N	00000010100000110101100000000010000000000000000000000000	31-01-145652
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(C)C	PC-id_31845808	473.585	ZKILERNQQQWWNX-NRFANRHFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145653
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC(=O)c1cc(OC)cc(OC)c1)C(C)C	PC-id_74618888	473.585	ZKILERNQQQWWNX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145654
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(F)cc2)cn1)C(=O)OCC	PC-id_20178796	473.587	VDBPVNJYGFYNFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145655
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2cc(F)ccc2)cn1)C(=O)OCC	PC-id_20179526	473.587	JFEUZWRNJAMOBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145656
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)cccc2)cn1)C(=O)OCC	PC-id_20178357	473.587	NHBYDKMQFYMQBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145657
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(F)cc2)cn1)C(=O)OC	PC-id_20178789	473.587	SGHQPKHFGDFSAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145658
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2cc(F)ccc2)cn1)C(=O)OC	PC-id_20179519	473.587	DMBBHFGXROVOCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145659
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)cccc2)cn1)C(=O)OC	PC-id_20178350	473.587	CQLJHVKGUVFMOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145660
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1sc2c(c1C(=O)NCC1CCCO1)CCCC2	MCULE-2698740733,PC-id_42945213,EMOLS-id_27394832	473.588	ZKBRYQPYGRMLSC-UHFFFAOYSA-N	00000010100010000101000000010010000000000000000000000000	31-01-145661
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2	CoCoCo_4692542,PC-id_30766048,ZINC22_22989925	473.588	ZKBRYQPYGRMLSC-HNNXBMFYSA-N	00000010100010000101000000010010000000000000000000000000	31-01-145662
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2	ZINC22_22989926,CoCoCo_4692543,PC-id_30766049	473.588	ZKBRYQPYGRMLSC-OAHLLOKOSA-N	00000010100010000101000000010010000000000000000000000000	31-01-145663
O=C(NC(CC(C)C)c1n2CCN(CCc2nn1)C(=O)c1c(OC)ccc(OC)c1)C[NH+](C)C	PC-id_74501277	473.588	PNFYBXSTMYDPNT-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145664
O=C(NC(CC(C)C)c1n2CCN(CCc2nn1)C(=O)COc1ccc(OC)cc1)C[NH+](C)C	PC-id_74793760	473.588	RMQFUZRGZXXVOY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145665
O=C(N[C@H](CC(C)C)c1n2CCN(CCc2nn1)C(=O)c1c(OC)ccc(OC)c1)C[NH+](C)C	PC-id_26354735	473.588	PNFYBXSTMYDPNT-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145666
O=C(N[C@@H](CC(C)C)c1n2CCN(CCc2nn1)C(=O)c1c(OC)ccc(OC)c1)C[NH+](C)C	PC-id_26354737	473.588	PNFYBXSTMYDPNT-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-145667
O=C(N[C@H](CC(C)C)c1n2CCN(CCc2nn1)C(=O)COc1ccc(OC)cc1)C[NH+](C)C	PC-id_42382213	473.588	RMQFUZRGZXXVOY-HXUWFJFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145668
O=C(N[C@@H](CC(C)C)c1n2CCN(CCc2nn1)C(=O)COc1ccc(OC)cc1)C[NH+](C)C	PC-id_42382217	473.588	RMQFUZRGZXXVOY-FQEVSTJZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145669
ONC(=O)CCCCCCCN(S(=O)(=O)c1ccc(cc1)NC)C1=CCc2c(C=C1)[nH]nc2	PC-id_142976540	473.588	ATRPMDVOXKCBOZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145670
C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4694868,ZINC22_24977122,PC-id_32287186	473.59	FTZMANCPRWFZGB-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145671
C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4694869,ZINC22_24977114,PC-id_32287179	473.59	FTZMANCPRWFZGB-QGZVFWFLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145672
N#Cc1c(NC(=O)C(Nc2cccc(c2)NC(=O)Nc2ccccc2)C)sc2c1CCCCC2	PC-id_42883453,EMOLS-id_17212652,MCULE-7895657115	473.59	FTZMANCPRWFZGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145673
CN(Cc1nnc2n1CCCCC2)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C	CoCoCo_4453012,MCULE-4546918425,PC-id_40100091,EMOLS-id_25650013,ZINC22_32865922	473.592	IZOQRICOEXUWAZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-145674
CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCc1nnc3n1CCCCC3)n2C	CoCoCo_4473003,EMOLS-id_24995793,ZINC22_32872055,PC-id_40106472,MCULE-2632089470	473.592	PSVUALVSACYKIE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-145675
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)CCC1CC1	PC-id_138670687	473.595	MGEVNBLTPPXNDJ-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-145676
O=C(N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)CCC1CC1	SCHEMBL21041031	473.595	MGEVNBLTPPXNDJ-IYARVYRRSA-N	00100000100010000101000000000010000000000000000000000000	31-01-145677
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(F)cc1)C(=O)OCC	PC-id_22195965	473.603	WQGLDRPMRMNZFM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145678
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(F)ccc1)C(=O)OCC	PC-id_22195767	473.603	SBJMMBOUGVPLTH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145679
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1ccc(F)cc1)C(=O)OC	PC-id_22195896	473.603	AZOAHHAYLJDJBJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145680
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(F)ccc1)C(=O)OC	PC-id_22195696	473.603	XAFIGBAMWFZPHP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145681
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)CC2CCCO2)sc2c(CCCCC2)c1C#N	EMOLS-id_5522512,MCULE-6354277297,PC-id_16798807	473.608	IGOQVINFMTYJFC-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-145682
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC=C)CC=C)sc2c(CCCCC2)c1C(=O)N	ZINC22_4177376,MCULE-1102368548,EMOLS-id_5470483,PC-id_3395368,GD-id_ZINC04177376,CHEMBL1561918,CoCoCo_5014656	473.608	NJCHLHWPFQARDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145683
c1(NC(=S)NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCCCCC2)c1C(=O)N	PC-id_5233500,MCULE-4335719125	473.608	CLXPAPBOSOKMRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145684
Cc1ccc(cc1)S(=O)(=O)NCC1CN(CCn2c1ccc2)S(=O)(=O)c1cccc(c1)C	PC-id_101877836	473.608	JPGGFGKGMJDGRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145686
Cc1ccc(cc1)S(=O)(=O)NCC1CN(CCn2c1ccc2)S(=O)(=O)c1ccc(cc1)C	PC-id_101877841	473.608	ODBYVOCPWKWCOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145687
CC(c1ccc(c2-c(c1)c(C)cc2C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C)C	PC-id_101501667	473.608	SORGYDUXSOYONA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-145688
CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	PC-id_41139928,CoCoCo_5057581,ZINC22_9599557	473.608	IGOQVINFMTYJFC-KRWDZBQOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-145689
CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	ZINC22_9599558,PC-id_41139929,CoCoCo_5057580	473.608	IGOQVINFMTYJFC-QGZVFWFLSA-N	00000010100000110100000000000010000000000000000000000000	31-01-145690
COc1ccc(cc1)COCC(N1CC(C)C(OCc2n(CCCC1=O)nnc2)CN(C)C)C	SCHEMBL13040332,PC-id_70824139	473.608	JHTZEGLJBGZYRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145691
COc1ccc(cc1OC)/C=C/C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCCC2	EMOLS-id_26282509,TIMTEC102447,STOCK2S-75770,ZINC22_2316593,PC-id_1933186	473.608	CLXPAPBOSOKMRR-ZRDIBKRKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145692
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)OC	PC-id_20181582	473.608	CWXPOJKOJAOVSU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145693
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[nH]c2c(n1)ccc(OC)c2)C(=O)OCC	PC-id_5146634	473.608	XNLPGQHZAMCIPI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-145694
S(=O)(=O)(N1CCCCC1)c1ccc(OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_56162022	473.608	HCQIOMLENIBYEZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145695
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccc(OC)cc1	PC-id_16862858	473.608	DUBNUUMHELALCW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145696
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccc(OC)cc1	PC-id_41833894	473.608	OWMJIWABGCVRDL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145697
Cc1ccccc1c1cccc(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)c1	CoCoCo_1436257,MCULE-6375458766,PC-id_26319449,CoCoCo_1436256,ZINC22_14956305,EMOLS-id_20612021	473.61	UHKYVUAQTKMBAI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145698
CC/C=C(/c1ccccc1)N=CC(=C)c1cnn2c1/N=C(C)/CN(CC/C(=C/2)/C)C(=O)CC(O)C	PC-id_144360463	473.61	HVIHFCOUBUKUJN-OARGEBOBSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145699
CNC(=O)Nc1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1cc[nH]2)NC(CC)(C)C	PC-id_140379226	473.61	IRAHKZQGWMYOPJ-XMMPIXPASA-N	00000000100000110100100000000010000000000000000000000000	31-01-145700
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)C)C(=O)OC	PC-id_20127176	473.611	UVJNPPSYZXAETH-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-145701
s1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(cc3)C)CC2)cnc1c1ccccc1	PC-id_42275191	473.613	RNTAUBXADCQYAE-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-145702
s1c(nc(c1)c1ccccc1)C[NH+]1CCn2c(nnc2CCNC(=O)c2ccc(cc2)C)CC1	PC-id_42452174	473.613	HMANLJPKXIQDNM-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-145703
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1cc(OC)ccc1)C(=O)OC	PC-id_20175402	473.651	BEIDKTVFZUMDIG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145738
c1(NC(=O)C2C(C(=O)O)C3C(=C(C)C)C2CC3)sc2c(CCCCCCC2)c1C(=O)OCC	MCULE-9729527529,EMOLS-id_4155561,TIMTEC286650,PC-id_3559306	473.625	LJIWTCOZEBXBSZ-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145704
c1(NC(=O)Cc2ccc(c(OCC)c2)OCC)sc2c(CCCCCCC2)c1C(=O)OCC	CoCoCo_6814615,TIMTEC318690,PC-id_5219523,MCULE-4226464520,EMOLS-id_4155563,ZINC22_2735400	473.625	MTDVFMWWWKZGAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145705
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)sc2c1CCCCCCC2	PC-id_98338507,ZINC22_102651066	473.625	LJIWTCOZEBXBSZ-IDPBPBMLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145706
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)sc2c1CCCCCCC2	PC-id_98338508,ZINC22_102651069	473.625	LJIWTCOZEBXBSZ-ZCLUNYJNSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145707
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCCCC2	ZINC22_102258558,PC-id_98294151	473.625	LJIWTCOZEBXBSZ-DGQTTZFYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145708
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCCCC2	ZINC22_102258563,PC-id_98294154	473.625	LJIWTCOZEBXBSZ-JYWFKMLOSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145709
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCCCC2	ZINC22_138219376,CoCoCo_5811485,PC-id_99642745	473.625	LJIWTCOZEBXBSZ-SEONNTABSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145710
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCCCC2	ZINC22_138219500,CoCoCo_5811481,PC-id_99642746	473.625	LJIWTCOZEBXBSZ-OVQGTLEDSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145711
CCOC(=O)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C(=C(C)C)[C@@H]2CC3)sc2c1CCCCCCC2	CoCoCo_5811480	473.625	LJIWTCOZEBXBSZ-XWDORNJCSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145712
CCOC(=O)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@@H]3C(=C(C)C)[C@H]2CC3)sc2c1CCCCCCC2	CoCoCo_5811482	473.625	LJIWTCOZEBXBSZ-HRQSHJORSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145713
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C(=C(C)C)[C@@H]2CC3)sc2c1CCCCCCC2	CoCoCo_5811484	473.625	LJIWTCOZEBXBSZ-KJNZLNQQSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145714
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@@H]3C(=C(C)C)[C@H]2CC3)sc2c1CCCCCCC2	CoCoCo_5811486	473.625	LJIWTCOZEBXBSZ-SQBLYHGDSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145715
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCCCC2	CoCoCo_5811483,ZINC22_20168302,PC-id_28698212	473.625	LJIWTCOZEBXBSZ-JWWGGVBKSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145716
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCCCC2	PC-id_98338506,ZINC22_102651064	473.625	LJIWTCOZEBXBSZ-PZBISTMVSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145717
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCCCC2	ZINC22_102651062,PC-id_98338505	473.625	LJIWTCOZEBXBSZ-USNOLKROSA-N	00000010100010000100000000000110000000000000000000000000	31-01-145718
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCCCC2	ZINC22_20168301,CoCoCo_5811479,PC-id_28698210	473.625	LJIWTCOZEBXBSZ-NLEAXPPASA-N	00000010100010000100000000000110000000000000000000000000	31-01-145719
c1(NC(=S)NNC(=O)c2c3ccccc3sc2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_6800314,MCULE-3988025097,TIMTEC333882,PC-id_3267998,EMOLS-id_4155575	473.631	NKAKTMAFAURWIJ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-145720
N#Cc1c(NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)c2ccccc2)sc2c1CCCCC2	PC-id_40891503,GD-id_ZINC08966020	473.631	DLEYQPRQWYOFAJ-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-145721
S(=O)(=O)(N1CCc2sccc2C1)c1cc(C(=O)Nc2sc3CCCCCc3n2)ccc1	PC-id_37700716	473.631	VKMVCZQSWRMGIN-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-145722
S(=O)(=O)(N1CCC(CC1)C(=O)NCc1n2CCCCCc2nn1)c1c(c(cc(c1C)C)C)C	PC-id_60520640	473.631	FFVOOYRRQPASTJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145723
S(=O)(=O)(N1CC[NH+](CC1)C(C)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccccc1	PC-id_74752413	473.631	QDGRPTZKCCPFBL-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-145724
S(=O)(=O)(N1CC[NH+](CC1)[C@@H](C)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccccc1	PC-id_41208170	473.631	QDGRPTZKCCPFBL-KRWDZBQOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-145725
S(=O)(=O)(N1CC[NH+](CC1)[C@H](C)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccccc1	PC-id_41208173	473.631	QDGRPTZKCCPFBL-QGZVFWFLSA-O	00000000100010110101000000000010000000000000000000000000	31-01-145726
C/C=C(C(=C/C(=C)c1nn(c(c1)c1ccccc1)CC(=O)N1CCc2c(CC1)nc(s2)N)C)/C	PC-id_145588022	473.633	LSZQPVWNVYUTAC-FAZYMYEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145727
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1ccc(N(C)C)cc1)C)CCc1ccccc1	PC-id_74807749	473.633	BXIUNBDRKXJLGV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145728
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(N(C)C)cc1)C)CCc1ccccc1	PC-id_42485087	473.633	BXIUNBDRKXJLGV-HWWNHIDJSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145729
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1ccc(N(C)C)cc1)C)CCc1ccccc1	PC-id_42485089	473.633	BXIUNBDRKXJLGV-FNNXTJRKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145730
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCN(CC1)c1ccc(cc1)O	CoCoCo_6809711,TIMTEC512450,PC-id_17374189,ZINC22_20168468,MCULE-6230816921,EMOLS-id_4155589	473.651	VVIFSRXFZWWRSJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145731
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCN(CC1)c1ccccc1O	EMOLS-id_4155591,MCULE-1039635517,CoCoCo_6809565,ZINC22_20168474,PC-id_17374139,TIMTEC418566	473.651	RANPYTLMJAVQKJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145732
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCN(CC1)c1cccc(O)c1	ZINC22_20168471,TIMTEC144974,PC-id_17374163,EMOLS-id_4155587,CoCoCo_6809589,MCULE-2477537998	473.651	FHIXLEWUEXKIAU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145733
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(OC)cc1)C(=O)OCC	PC-id_19654579	473.651	CFDZGSBFROTXAS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145734
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1cc(OC)ccc1)C(=O)OCC	PC-id_19655192	473.651	QPQHSYOCBZNMJA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145735
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(OC)cccc1)C(=O)OCC	PC-id_19655243	473.651	PBVLHENRXFGJOE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145736
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(OCC)cccc1)C(=O)OC	PC-id_19655276	473.651	HTOWTVCGMGSUOI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145737
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(OC)cc1)C(=O)OC	PC-id_19654572	473.651	FOOOLXVDTANWRB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145739
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1cc(OC)ccc1)C(=O)OC	PC-id_19655185	473.651	INCVZNXMSDPGNX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145740
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(OC)cccc1)C(=O)OC	PC-id_19655238	473.651	KIXNVFCXFFYZGM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145741
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3ccc(cc3C)C)CCn12	MCULE-3102104317,EMOLS-id_20562041,PC-id_45207691	473.653	JIKNNSLLYDACMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145742
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(C)cc2C)CC3)c1	CoCoCo_1361444,ZINC22_20999849,PC-id_29259302,CoCoCo_1361443	473.653	JIKNNSLLYDACMS-SANMLTNESA-N	00000000100000110101000000000010000000000000000000000000	31-01-145743
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(C)cc2C)CC3)c1	PC-id_29259301,ZINC22_20999848,CoCoCo_1361442,CoCoCo_1361441	473.653	JIKNNSLLYDACMS-AREMUKBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145744
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)C(C)C)C#N	PC-id_19716924	473.655	IDXDIASCCDSODE-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-145745
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(cccc1)/C=N/NC(=S)N	PC-id_43904257	473.655	ZNTYMYIWULTBPW-MFKUBSTISA-N	00000000100000110101000000000010000000000000000000000000	31-01-145746
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(cccc1)C=NNC(=S)N	PC-id_74905997	473.655	ZNTYMYIWULTBPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145747
s1c2c(CCCCCC2)c(c1NC(=S)Nc1sc2c(n1)cc(c(c2)C)C)C(=O)OCC	PC-id_20180492	473.674	ZMNWOKZVXMNBOI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-145748
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(C(C)(C)C)ccc1C)C(=O)OCC	PC-id_3460017	473.691	YWVXLDIEMPGGAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145749
CC/C(=CC(=C(Cn1nc(c2c1C(CCCC2)CC1=CCC=C(C=C1)C)C(=O)NC1CC1)/C)C)/C	PC-id_143431266	473.693	VTWHJXVRMHGEGG-AIPPMWMOSA-N	00100000100000000111000000000010000000000000000000000000	31-01-145750
Clc1c(nc(Cl)c(Cl)c1N)C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	GD-id_ZINC34890850,PC-id_4438964	473.761	GSDQIBYWYCGSSF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-145751
Brc1ccc(CN(c2n3CCCCCc3nn2)CC(=O)c2ccc(Cl)cc2)cc1	PC-id_5231056	473.793	IPWMOYGOTQLZCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145752
Brc1ccc(C(=O)CN(c2n3CCCCCc3nn2)Cc2ccc(Cl)cc2)cc1	PC-id_5230530	473.793	YTKGXLUAPQNULG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145753
Brc1ccc(NCc2n3c([n+](c2)CC(=O)c2ccc(Cl)cc2)CCCCC3)cc1	PC-id_21241004	473.813	VQWNCAYGRSHPKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145754
Brc1cc(Cl)c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_20413388	473.835	XVLXDEJIZUCEJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145755
Brc1c(Cl)cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_19687670	473.835	ICLYKCULRLZGFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145756
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C(F)(F)F)(C)C)C(=O)c1ccc(cc1Cl)F)C	PC-id_121358879,SCHEMBL17777952	473.848	KZNCGYLQYJQGOF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145757
COCc1ccc(o1)C(=O)NCc1nnc2n1CCN(CC2)Cc1cc2OCOc2cc1Cl	ChEMBL-DNDi_CHEMBL86100393	473.909	GZZZWAMEDUKFNF-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-145758
[Na+].c12-c(c(cc1C(=O)[O-])CCC/C=N/NC(=O)Nc1ccc(Cl)cc1)ccc(cc2)C(C)C	CHEMBL296727	473.927	KCUSJMHAPDMEOT-RRIBZKRYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-145759
COc1ccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)c(Cl)c1OC	ZINC22_23128848,MCULE-1676129598,PC-id_30852252,EMOLS-id_20393330,CoCoCo_1122856,CoCoCo_1122857	473.928	UONHPICBFTZBMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145760
COc1cc(Cl)c(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1OC	CoCoCo_1235844,CoCoCo_1235845,ChEMBL-DNDi_CHEMBL23190745,ZINC22_20451985,PC-id_28955315,EMOLS-id_20475185,MCULE-7213224437	473.928	IANMIJYGQYDIRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145761
C[S+](=O)(c1cccc(c1)NC(=O)c1c2CN(C(=O)CCn2nn1)Cc1cc(ccc1)Cl)[O-]	PC-id_134805582	473.933	BOBNBIDUZXPBFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145762
O=C(CNS(=O)(=O)c1ccc(cc1)Cl)NCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)[O-]	GD-id_ZINC29405333	473.949	MTPCERKXCLHZCU-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-145763
c1(C(C)NC(=O)c2ccoc2C)nnc2CCN(Cc3cc(OC)c(cc3Cl)OC)CCn12	PC-id_45189608,EMOLS-id_20482843,MCULE-1616631758	473.953	TWQKPXQFPWKMEP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-145764
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3cc(OC)c(cc3Cl)OC)CCn12	ZINC22_20777063,CoCoCo_1287813,MCULE-1885448460,EMOLS-id_20511469,PC-id_29150658,CoCoCo_1287814	473.953	KZMLKWQSSMHYIX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-145765
COc1cc(Cl)c(CN2CCc3nnc([C@@H](C)NC(=O)c4ccoc4C)n3CC2)cc1OC	CoCoCo_1246785,CoCoCo_1246784,ZINC22_20454754,PC-id_28957270	473.953	TWQKPXQFPWKMEP-CQSZACIVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-145766
COc1cc(Cl)c(CN2CCc3nnc([C@H](C)NC(=O)c4ccoc4C)n3CC2)cc1OC	CoCoCo_1246787,ZINC22_20454756,CoCoCo_1246786,PC-id_28957271	473.953	TWQKPXQFPWKMEP-AWEZNQCLSA-N	00000000101000110101000000000010000000000000000000000000	31-01-145767
CC(C)c1ccc2-c(c(cc2CCCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)C(=O)O)cc1	CHEMBL45471,BindingDB_PC-id_44292084,PC-id_44292084	473.969	LHJNLNVLXXXTRR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-145768
C/C=C(C=C/1Nc2c(CN(C1C)C(=O)c1ccc(c(c1)F)CNC(=O)C(C)C)cnn2C)/Cl	PC-id_143188744	473.971	FBOMZCFFHXDCSB-RHDSZJAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145769
Clc1ccc(C(=O)NCCCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_24370592	473.972	UJJOHHZZVBXRCT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145770
Clc1c(C(=O)NC(C(=O)OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)C)cccc1	PC-id_76271819	473.972	PCIIFMDESZHBID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145771
Clc1c(C(=O)N[C@H](C(=O)OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)C)cccc1	PC-id_55935319	473.972	PCIIFMDESZHBID-LSLKUGRBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145772
Clc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCc3n4CCCCCc4nn3)cc2)cc1	PC-id_55483568	473.976	BPOUSNJURIAICG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145773
Clc1c(C(=O)NCc2n3CCCCCc3nn2)cc(S(=O)(=O)Nc2cc(ccc2)C)cc1	PC-id_24676658	473.976	VXZXMVIDRBAXGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145774
c1(=C(C#N)c2nnc3CCCCCn23)sc(=Cc2ccc(cc2)Cl)c(=O)n1c1ccccc1	EMOLS-id_31479623,PC-id_4581556,MCULE-8310992774	473.977	SBROWHXNAWLDKC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145775
Clc1c(/C=c/2s/c(=C(c3n4CCCCCc4nn3)/C#N)/n(c2=O)c2ccccc2)cccc1	CoCoCo_3609816,PC-id_2317349	473.977	IZEMDFBXOUNVCG-VEESZLCBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145776
Clc1c(/C=c/2s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)c2ccccc2)cccc1	CoCoCo_3609817,PC-id_2317351	473.977	IZEMDFBXOUNVCG-YKPAIDDGSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145777
Clc1c(C=c2sc(=C(c3n4CCCCCc4nn3)C#N)n(c2=O)c2ccccc2)cccc1	PC-id_5226365	473.977	IZEMDFBXOUNVCG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145778
Clc1ccc(/C=c/2s/c(=C(c3n4CCCCCc4nn3)/C#N)/n(c2=O)c2ccccc2)cc1	PC-id_2309337,CoCoCo_3609824	473.977	SBROWHXNAWLDKC-BBMOIHPLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145779
Clc1ccc(/C=c/2s/c(=C(C#N)/c3nnc4CCCCCn34)/n(c3ccccc3)c2=O)cc1	PC-id_2309339,CoCoCo_3609825,EMOLS-id_45973269,ZINC22_13306450	473.977	SBROWHXNAWLDKC-DDJQOXGASA-N	00000000100000110101100000000010000000000000000000000000	31-01-145780
N#C/C(=c/1s/c(=C/c2ccccc2Cl)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609818	473.977	IZEMDFBXOUNVCG-UFTAFLASSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145781
N#C/C(=c
/s/c(=C/c2ccccc2Cl)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609819	473.977	IZEMDFBXOUNVCG-BNYBFYJRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145782
N#C/C(=c/1s/c(=C/c2ccc(Cl)cc2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	PC-id_2309340,ZINC22_35179565,CoCoCo_3609826	473.977	SBROWHXNAWLDKC-LQPBJRFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145783
N#C/C(=c
/s/c(=C/c2ccc(Cl)cc2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	ZINC22_103792161,CoCoCo_3609827	473.977	SBROWHXNAWLDKC-UCMJAKSHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145784
c1(C(CC(C)C)NC(=O)CCOC)nnc2CCN(C(=O)C=Cc3ccccc3Cl)CCn12	PC-id_74501013,MCULE-6311005255	473.996	FNNWHYPVPVIQMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145785
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(C(=O)CCc3ccccc3Cl)CCn12	PC-id_45245928,MCULE-7583982322,ChEMBL-DNDi_CHEMBL88937890,EMOLS-id_20721843	473.996	ZNPZYQSGJMGJTI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-145786
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)CCc1ccccc1Cl)CC2	CoCoCo_1604009,ZINC22_14997314,PC-id_26353044	473.996	ZNPZYQSGJMGJTI-AVRDEDQJSA-N	00000010100000110101000000000010000000000000000000000000	31-01-145787
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)CCc1ccccc1Cl)CC2	CoCoCo_1604012,ZINC22_14997308,PC-id_26353039	473.996	ZNPZYQSGJMGJTI-GCJKJVERSA-N	00000010100000110101000000000010000000000000000000000000	31-01-145788
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(C(=O)CCc1ccccc1Cl)CC2	ZINC22_14997304,CoCoCo_1604011,PC-id_26353034	473.996	ZNPZYQSGJMGJTI-XMSQKQJNSA-N	00000010100000110101000000000010000000000000000000000000	31-01-145789
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(C(=O)CCc1ccccc1Cl)CC2	ZINC22_14997311,CoCoCo_1604010,PC-id_26353040	473.996	ZNPZYQSGJMGJTI-PGRDOPGGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-145790
CCOC(=O)C1CN(CCCn2nc3n(c2=O)C=CCC=C3)CCN1/C(=C/C(=C)Cl)/C=CC	PC-id_142274636	473.996	VSQJHMYLAIIUJI-NSJPIAMDSA-N	00000000100010000111000000000010000000000000000000000000	31-01-145791
COCCC(=O)NC(CC(C)C)c1nnc2CCN(CCn12)C(=O)/C=C/c1ccccc1Cl	EMOLS-id_26007915,ChEMBL-DNDi_CHEMBL47182576,PC-id_45213359	473.996	FNNWHYPVPVIQMN-CMDGGOBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145792
COCCC(=O)N[C@@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1ccccc1Cl)CC(C)C	CoCoCo_1398045	473.996	FNNWHYPVPVIQMN-ZTBDEIDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145793
COCCC(=O)N[C@H](c1nnc2n1CCN(CC2)C(=O)/C=Cc1ccccc1Cl)CC(C)C	CoCoCo_1398046	473.996	FNNWHYPVPVIQMN-GWQNQTGSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145794
COCCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)/C=C/c1ccccc1Cl)CC2	CoCoCo_1398047,ZINC22_14996362,PC-id_26352024	473.996	FNNWHYPVPVIQMN-IBDYFIJFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145795
COCCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C(=O)/C=C/c1ccccc1Cl)CC2	ZINC22_14996364,PC-id_26352027,CoCoCo_1398044	473.996	FNNWHYPVPVIQMN-NDDJGDGRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145796
Clc1cc(c2[nH]nc(SCC(=O)Nc3sc4CCCCCc4c3C#N)n2)c(OC)cc1	PC-id_55324106	473.999	DAWRWADQPXUJKC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145797
Clc1ccc(OCc2nc(SCC(=O)Nc3sc4CCCCCc4c3C#N)n[nH]2)cc1	PC-id_29344979	473.999	WQEJHBONVNXOAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145798
CC(C)c1ccc2-c(c(cc2CCCCCS(=O)(=O)Nc2ccc(Cl)cc2)C(=O)O)cc1	CHEMBL47743,PC-id_44291864,BindingDB_PC-id_44291864	474.012	WJYVAMIXAPXRQE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-145799
CCCC(c1cc2c(n1Cc1ccc(cc1)Cl)CC(=CC(=C2)S(=O)(=O)C)C=C)CC(=O)O	PC-id_143252491	474.012	QXIYGCIEOWIHRJ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-145800
C[C@H](CNS(=O)(=O)c1ccc(cc1)Cl)CCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	PC-id_15020265,SCHEMBL9627591	474.012	HVZRBVQJQUOTRK-KRWDZBQOSA-N	00000010100000110110000000000010000000000000000000000000	31-01-145801
Clc1ccc(cc1)S(=O)(=O)NC(CCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O)C	PC-id_57104668,SCHEMBL9627593	474.012	WRIOPQIBIYUKPB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-145802
Clc1ccc(cc1)S(=O)(=O)NCCCC(c1cc(c2-c1ccc(cc2)C(C)C)C(=O)O)C	SCHEMBL9627583,PC-id_19914769	474.012	AITJZWXKTPNOKB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-145803
Clc1ccc(S(=O)(=O)NCC(CCc2c3-c(c(c2)C(=O)O)ccc(C(C)C)cc3)C)cc1	PC-id_72743191	474.012	HVZRBVQJQUOTRK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-145804
Clc1ccc(S(=O)(=O)NCCCCc2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)cc1	PC-id_14752984	474.012	XCDRPQMCNAKMRO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-145805
Clc1c(/C=C/C(=O)N2CCn3c(nnc3CC2)[C@H](NC(=O)C[NH+](C)C)CC(C)C)cccc1	PC-id_42191319	474.019	AYZCEWQAIULGEQ-SQUSKLHYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145806
Clc1c(/C=C/C(=O)N2CCn3c(nnc3CC2)[C@@H](NC(=O)C[NH+](C)C)CC(C)C)cccc1	PC-id_42191323	474.019	AYZCEWQAIULGEQ-XTXLJPNXSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145807
Clc1c(C=CC(=O)N2CCn3c(nnc3CC2)C(NC(=O)C[NH+](C)C)CC(C)C)cccc1	PC-id_74777706	474.019	AYZCEWQAIULGEQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145808
Clc1ccc(cc1)CCN1CCC(CC1)C(=[N+]1CCOc2c(C1=N)sc(c2C(=O)C)C)N	PC-id_141859769	474.039	KFUNZYZDXQMACU-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-145809
c1(NC(=O)C=Cc2ccccc2Cl)sc2c(CCCCCCCCCC2)c1C(=O)OCC	PC-id_4157338,MCULE-8199844337	474.055	LPZQNQYXOIDUMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145810
CCOC(=O)c1c(NC(=O)/C=Cc2ccccc2Cl)sc2c1CCCCCCCCCC2	CoCoCo_6816823,PC-id_97581780	474.055	LPZQNQYXOIDUMH-ZCXUNETKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145811
CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCCCCCCCC2	TIMTEC292548,PC-id_6023717,CoCoCo_6816822,SPECS-id_AK-968/15602064,ZINC22_2761954,EMOLS-id_45936729	474.055	LPZQNQYXOIDUMH-ISLYRVAYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145812
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)CC#CC4(COC4)O	PC-id_154682183	474.101	DWHNHCKKBYEPEL-OAHLLOKOSA-N	00001000100000110101000000000010000000000000000000000000	31-01-145813
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)CC#CC4(COC4)O	PC-id_154682197	474.101	DWHNHCKKBYEPEL-HNNXBMFYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-145814
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)[C@@H](C#CC4COC4)O	PC-id_154682345	474.101	OAWVQXROMIWPCB-DLBZAZTESA-N	00001000100000110101000000000010000000000000000000000000	31-01-145815
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@@H](C#CC4COC4)O	PC-id_155062009	474.101	OAWVQXROMIWPCB-IAGOWNOFSA-N	00001000100000110101000000000010000000000000000000000000	31-01-145816
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@H](C#CC4COC4)O	PC-id_155062011	474.101	OAWVQXROMIWPCB-SJORKVTESA-N	00001000100000110101000000000010000000000000000000000000	31-01-145817
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)[C@H](C#CC4COC4)O	PC-id_155257962	474.101	OAWVQXROMIWPCB-IRXDYDNUSA-N	00001000100000110101000000000010000000000000000000000000	31-01-145818
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)CC#CC4(COC4)O	PC-id_154682200	474.101	DWHNHCKKBYEPEL-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-145819
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)C(C#CC4COC4)O	PC-id_155062090	474.101	OAWVQXROMIWPCB-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-145820
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)NC(CO3)C(C#CC(C)(C)F)O)C#N	PC-id_160157878	474.137	VDYGDZFQLHKTHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145821
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)C(C#CC(C)(C)F)O)C#N	PC-id_161743106	474.137	VDYGDZFQLHKTHA-BHWOMJMDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145822
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)C(C#CC(C)(C)F)O)C#N	PC-id_161743107	474.137	VDYGDZFQLHKTHA-TZHYSIJRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145823
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@@H](C#CC(C)(C)F)O)C#N	PC-id_161603585	474.137	VDYGDZFQLHKTHA-DLBZAZTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-145824
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@H](C#CC(C)(C)F)O)C#N	PC-id_161603586	474.137	VDYGDZFQLHKTHA-IRXDYDNUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145825
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@@H](C#CC(C)(C)F)O)C#N	PC-id_161603587	474.137	VDYGDZFQLHKTHA-IAGOWNOFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145826
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@H](C#CC(C)(C)F)O)C#N	PC-id_161603588	474.137	VDYGDZFQLHKTHA-SJORKVTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-145827
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)F)CC[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)OC	PC-id_154991280	474.154	QTNWCHLAHXHPLI-RHQOBYNCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145828
CCN(C1CCC(=O)CC1)C2=C(C3=C(S2)CCCN(C3=O)CC4=C(C=C(CC4=O)C)Cl)C	PC-id_162000105	474.174	YSBZXBZVISDVRZ-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-145829
CC1=C2C(=C(N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OC)CCCCC2=O	PC-id_149633264	474.194	AFNYOROEWXANDC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145830
CC(C)CC(C(=O)CC1CC2=CC(=NN2)CCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_147543294	474.194	FPIOAVQTNQBTPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145831
CC(C)CC(C(=O)CC1CC2=CN(CCCNC(=O)C1=O)N=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_147533655	474.194	FNNSPPZHQSZGKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145832
CC(C)CC(C(=O)CC1CCC2=CC(=NN2)CCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_149008828	474.194	QBCYQUWRZWZELF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145833
CC(C)CC(C(=O)CC1CCC2=CN(CCNC(=O)C1=O)N=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_152810884	474.194	SRBCQDXPEXNDQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145834
CC(C)C(C(=O)CC1CC2=CC(=NN2)CCCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_148308029	474.194	LAMPJUMJOSTCFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145835
CC(C)C(C(=O)CC1CC2=CN=C(N2)CCCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_160913549	474.194	SRCJWXOVUOSPHD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145836
CC(C)C(C(=O)CC1CCC2=C(CCCNC(=O)C1=O)NN=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_147898505	474.194	IDUFZYWOQYNXPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145837
CC(C)C(C(=O)CC1CCC2=CN(CCCNC(=O)C1=O)N=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_161219700	474.194	UXIOESUUNGTOBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145838
CC(C)C(C(=O)CC1CCC2=NNC(=C2)CCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_160693780	474.194	RPTBAJXVTCORHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145839
CC(C)C(C(=O)CC1CCCN2C=C(CCNC(=O)C1=O)C=N2)NS(=O)(=O)C3=CC=CC=C3	PC-id_147469361	474.194	FBLNUOZARXIDCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145840
CC/C/1=C/CCN(CCc2ccc(n2CC1C)C(=C)C(F)(F)F)C(=O)c1cccc(c1OC)C	PC-id_163858622	474.249	PHDCFFCWCPDWRA-FBHDLOMBSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145841
O=C(C(=O)On1nnc2c1C=C(C=CC2)C(F)(F)F)On1nnc2c1cc(cc2)C(F)(F)F	PC-id_142934880	474.274	RWURNQRIJVLFOS-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-145842
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)O)CC(CNC2=O)(C)C	SCHEMBL3973528,PC-id_57395007	474.288	YGTFAXJBDZZDJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145843
Fc1ccc(c(c1)F)COc1cc(C)n(c(=O)c1Br)CC1=CC=c2c(=CC1)cn[nH]2	PC-id_143008540	474.298	FIKKEDILCQDDQI-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-145844
Brc1c(Oc2ncccc2C(=O)NCCc2n3CCCCCc3nn2)ccc(F)c1	PC-id_55790828	474.326	HLESCYUTYHSZPZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145845
Brc1cc2c(C(=O)N(CCCC(=O)NCCc3n4CCCCCc4nn3)C2=O)cc1	PC-id_55535138	474.351	DDWRFRCFVXXEQS-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-145846
[B]c1cc2c(cc1)NC(=O)C2=Cc1c(c2c([nH]1)CCCN(C2=O)CC(C)(CN1CCOCC1)O)C	PC-id_89099136	474.36	JGHNABNOLRRQGP-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-145847
Brc1oc(C(=O)Nc2ccc(CC(=O)Nc3sc4CCCCCc4n3)cc2)cc1	PC-id_46493498	474.371	FJBZFWZHQPOZIV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-145848
Brc1ccc(C2OCCN(C2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)cc1	PC-id_56100366	474.414	OFVMRTCYECEMSA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145849
s1c2CCCCCc2nc1NC(=O)c1c(n(nc1)c1cc(ccc1)C(F)(F)F)C(F)(F)F	PC-id_24666640	474.423	VWZAFTZBGQCOEG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145850
Clc1c(S(=O)(=O)NC2CC2)cc(c(Cl)c1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56020832	474.424	GEZWTGAFDCHCCH-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-145851
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1CCC(NS2(=O)=O)C(C(F)(F)F)(O)C	SCHEMBL18353468	474.429	JCURSYKBCQQNGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145852
FC(F)(F)c1cc2nc(n(c2cc1)Cc1occc1)NC(=O)Cn1nc2n(CCCCC2)c1=O	PC-id_55585972	474.436	JIOVTYLZGMCLPJ-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-145853
C1Cc2c(CN(C1)CC(F)(F)F)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20589572,PC-id_86268750	474.443	SJEDNHMLOQHXDW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145854
CC(OC(=O)C1=CN(CC(c2c1c(ns2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659780	474.444	GQZZYBHQMIIVEH-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145855
CC(OC(=O)C1=CN(CC(c2c1nc(s2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659782	474.444	IBVGOOFBWSCXJQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145856
CC(OC(=O)C1=CN(CC(c2c1sc(n2)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659778	474.444	QRBMSQJNLOHFMR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145857
CC(OC(=O)C1=CN(CC(c2c1snc2C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	SCHEMBL19659626	474.444	GVEMAJYCQAMBHS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145858
COCCN1CCNc2c(C1=O)n(c(n2)COc1cccc(c1)C(F)(F)F)Cc1ccccc1	PC-id_134806625	474.476	NBLKYJITGCXTGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145859
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(nn(c1)CC)C(=O)Nc1ccccc1	PC-id_19523817	474.479	MVXAWQDZVTZFKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145860
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cc(NC(=O)c2n(ncc2)CC)ccc1	PC-id_19523802	474.479	XKBUBXRLSLKVGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145861
FC(F)(F)/C(=C(c1n2CCCCCc2nn1)/C#N)/OCC(=O)N1CCN(CC1)c1ccccc1	CoCoCo_3163612,PC-id_2433310,CoCoCo_3163615	474.479	RQJQHQPILJFHDL-DYTRJAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145862
FC(F)(F)C(=C(c1n2CCCCCc2nn1)C#N)OCC(=O)N1CCN(CC1)c1ccccc1	MCULE-9684251472,PC-id_5051393,EMOLS-id_26056936	474.479	RQJQHQPILJFHDL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145863
N#C/C(=C(C(F)(F)F)/OCC(=O)N1CCN(CC1)c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3163614,CoCoCo_3163613	474.479	RQJQHQPILJFHDL-UZYVYHOESA-N	00000000100010110101100000000010000000000000000000000000	31-01-145864
CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)[C@H]1CCCN1S(=O)(=C)c1ccccc1	SCHEMBL12057643	474.636	OTSNIYZNUMDCGD-XHYMPFLFSA-N	00000010100000110100000000000010000000000000000000000000	31-01-145975
c1(c(C)onc1c1ccccc1)C(=O)N1CCn2c(CC1)nnc2CNC(=O)c1cccc(F)c1	PC-id_42422395,EMOLS-id_20733507,ZINC22_12130013,MCULE-3575921160	474.487	UGHJAAYTYOLREI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145865
CCOC(=O)c1cc2c(n1C)C(=CN(CC2(C)C)C(=O)c1ccc(c(c1)F)F)C(=O)OC(C)C	SCHEMBL1651207,PC-id_11363495	474.497	SPJUIDRZQNWSFO-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-145866
FC(F)(F)c1c(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)cccc1	PC-id_42407706	474.499	KZCZURVHKYAWBD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145867
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(cccc3)C)C)CC2)cc1	PC-id_42168148	474.499	CVELWVYIJXUBAQ-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145868
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(cccc3)C)C)CC2)cc1	PC-id_42168150	474.499	CVELWVYIJXUBAQ-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145869
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(cccc3)C)C)CC2)cc1	PC-id_74780592	474.499	CVELWVYIJXUBAQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145870
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)c1cn(nc1)C	PC-id_19527753	474.5	SZAQKYHXIDKOJC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-145871
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1cc(cc(c1)F)F)Cc1ccccc1	PC-id_134805606	474.502	WKZUFQXDCAHFOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145872
COC(=O)c1cc(c2-c1ccccc2)C(=C1C=CC(=O)C=C1)c1cc(c2-c1ccccc2)C(=O)OC	PC-id_102277040	474.503	RYWNZCIDVGOCJE-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-145873
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(C1COC(O1)(C)C)OC	SCHEMBL7045756,PC-id_23296729	474.504	UODKTIALOJVMPL-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-145874
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OC(=O)C(C)(C)C)OC	SCHEMBL8158602,PC-id_54161427	474.504	OORIOJDPTGLGIG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-145875
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCOC(=O)C(C)(C)C	SCHEMBL8158600,PC-id_88257006	474.504	DXPLTOKRTLTKTI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-145876
CCOC(=O)c1c(N)c(c2-c1ccc(cc2)C(C(=O)NOC)OC(=O)C(C)(C)C)C(=O)OCC	SCHEMBL8158605	474.504	QMOKSNYEKKZUFB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-145877
CCOC(=O)c1c2-c(ccc(cc2)CC(=O)N(NCCCCN)OC=O)c(c1N)C(=O)OCC	PC-id_88257569,SCHEMBL8161171	474.507	ZGYMFDDZQKABFV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-145878
NCCCCNC(=O)ONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	SCHEMBL8161165,PC-id_23296758	474.507	UCSDPTXEFJQUKI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-145879
CCc1cc(ccc1OCC(=O)N1CCc2cc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1)C#N	BindingDB-id_913865,PC-id_118394550,SCHEMBL17112991	474.515	YUOJULDAKIAAMA-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-145880
CC(C)(C)OC(=O)N(C)c1ncc(cc1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)OC	PC-id_87289803,SCHEMBL1770479	474.53	FNMFPCXQRDYNCS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-145881
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1F)C(F)(F)F)C(=O)OCC	PC-id_20409583	474.535	LQWFGCBMDJDUCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145882
CCCC[C@H]1CCCCCCc2c1cc([nH]2)/C=C
/C(=CC(=N1)OS(=O)(=O)C(F)(F)F)OC	PC-id_134940301	474.537	MEJHKWKGUMQNFC-CCNLRRDASA-N	00000011100000000100000000000010000000000000000000000000	31-01-145883
CCCC[C@H]1CCCCCCc2c1cc([nH]2)C=C1N=C(C=C1OC)OS(=O)(=O)C(F)(F)F	PC-id_102081507	474.537	MEJHKWKGUMQNFC-HNNXBMFYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-145884
S(=O)(=O)(OC1=NC(=Cc2[nH]c3c(C(CCCCCC3)CCCC)c2)C(=C1)OC)C(F)(F)F	PC-id_16657840	474.537	MEJHKWKGUMQNFC-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-145885
CO[C@H]1CN(CC(c2c([C@@H]1OC)n(nn2)C(CC)(C)C)(F)F)C(=O)CCC(=O)OC(C)(C)C	SCHEMBL21117267,PC-id_138736982	474.542	HOZTUTLBAMYJOO-KBXCAEBGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-145886
CO[C@H]1CN(CC(c2c([C@@H]1OC)n(nn2)C(C)(C)C)(F)F)C(=O)CCC(=O)OC(CC)(C)C	PC-id_138626150,SCHEMBL20991826	474.542	KWDHOEVUYHZOHP-KBXCAEBGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-145887
COc1ccc(cc1C)C(=O)C1CCN(CC1)C1CCN(C1=O)Cc1nc2c([nH]1)c(=O)cccc2	SCHEMBL20350763,PC-id_77990357	474.552	DUCZLEBAUSAZOC-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-145888
COc1ccc(cc1C)C(=O)C1CCN(CC1)[C@@H]1CCN(C1=O)Cc1nc2c([nH]1)c(=O)cccc2	PC-id_71488286,BindingDB_PC-id_71488286,SCHEMBL14603636	474.552	DUCZLEBAUSAZOC-OAQYLSRUSA-N	00000010100010110111100000000010000000000000000000000000	31-01-145889
COc1ccc(cc1C)C(=O)C1CCN(CC1)[C@H]1CCN(C1=O)Cc1nc2c([nH]1)c(=O)cccc2	SCHEMBL14603744,BindingDB_PC-id_89375779	474.552	DUCZLEBAUSAZOC-NRFANRHFSA-N	00000010100010110111100000000010000000000000000000000000	31-01-145890
Cc1[nH]c2c(n1)C(=C)C(=C)N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	PC-id_142078631	474.553	AINHWMBWBONSQN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145891
CN/C=CC(=[NH2+])NC(=O)c1cc(O[C@H](COC)C)cc(c1)Oc1sc2c(n1)CCCNC2=O	PC-id_143391731	474.553	AETRNFHNCNTCOO-WOLRVDTOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145892
s1c2c(CCCCC2)c(c1NC(=O)c1scc(Cn2nc([N+](=O)[O-])cc2C)c1)C(=O)OC	PC-id_19496607	474.553	JHUUZBAVTMRMCT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-145893
s1c2c(CCCCC2)c(c1NC(=O)CCC[N+]1=CN=C2N(C(=O)N(C(=O)C12)C)C)C(=O)OC	PC-id_76262566	474.553	XGUZFUUXOVDWAE-UHFFFAOYSA-O	00000011100010000101000000000110000000000000000000000000	31-01-145894
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(CCn12)C(=O)Cc1c2ccccc2[nH]c1C	MCULE-7648176192,PC-id_45232375,EMOLS-id_232769132	474.555	VAXVKTRIUFEVCY-UHFFFAOYSA-N	00000000101000100101000001100010000000000000000000000000	31-01-145895
c1nc(CCNC(=O)CCNC(=O)c2cc3n(n2)CCCN(Cc2c(C)cccc2)C3=O)ccc1	MCULE-2366194169,PC-id_46050065,EMOLS-id_25388260	474.555	LACKRKHKYMLZIX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145896
Cc1[nH]c2ccccc2c1CC(=O)N1CCc2nnc([C@H](NC(=O)c3ccoc3)C(C)C)n2CC1	ZINC22_12330392	474.555	VAXVKTRIUFEVCY-XMMPIXPASA-N	00000000101000100101000001100010000000000000000000000000	31-01-145897
Cc1[nH]c2ccccc2c1CC(=O)N1CCc2nnc([C@@H](NC(=O)c3ccoc3)C(C)C)n2CC1	ZINC22_12330397	474.555	VAXVKTRIUFEVCY-DEOSSOPVSA-N	00000000101000100101000001100010000000000000000000000000	31-01-145898
CC(C(C(=O)NCc1cccnc1)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_46049598,MCULE-7198731254,EMOLS-id_25387326	474.555	BGAAOHUYWNWIMX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145899
CC([C@@H](C(=O)NCc1cccnc1)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_92986945	474.555	BGAAOHUYWNWIMX-QHCPKHFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145900
CC([C@H](C(=O)NCc1cccnc1)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_92986946	474.555	BGAAOHUYWNWIMX-HSZRJFAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145901
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NCc1cccnc1	EMOLS-id_25387960,MCULE-8878800810,PC-id_46049631	474.555	RUYXXFDKCNEHEV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145902
O=C1N(CCCn2nc(cc12)C(=O)NC(C(C)C)C(=O)NCc1ccncc1)Cc1ccccc1	PC-id_46159961	474.555	AEOKLONOVNFRNE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145903
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCc1ccncc1)CC)Cc1ccccc1	PC-id_46049941	474.555	OUGDXGMTJMONMV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145904
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCCc1ncccc1)Cc1cc(ccc1)C	PC-id_42855114	474.555	AXXVHRVMHVOKPQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145905
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCCc1ncccc1)Cc1ccc(cc1)C	PC-id_46049984	474.555	IUGILQMEJVWRRJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145906
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCc1ncccc1)C)Cc1cc(ccc1)C	PC-id_42855095	474.555	IPEPSSWZIBPJCF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145907
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCc1ncccc1)C)Cc1ccc(cc1)C	PC-id_46049960	474.555	KOLIJYGQPRXXSE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145908
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCc1ncccc1)C)Cc1ccc(cc1)C	PC-id_46049965	474.555	GHQQXLXSLIYYCZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145909
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCc1ncccc1)C)Cc1c(cccc1)C	PC-id_46050038	474.555	SPKVWCOSPXGTJD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145910
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCc1ncccc1)C)Cc1cc(ccc1)C	PC-id_46159983	474.555	QHKKAGYEHHMYPZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-145911
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1nc(cc1C)C(F)(F)F)C(=O)OC	PC-id_20174811	474.563	GIFJJJZMZCGMRS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-145912
CC(C)c1ccc2-c(c(cc2S(=O)(=O)[O-])CCCC(=O)NS(=O)(=O)c2ccccc2)cc1	BindingDB_PC-id_91934739,PC-id_91934739	474.57	PQXPAJDBWQRWPW-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-145913
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(=O)c2c(C1=O)ccn2Cc1ccccc1	SCHEMBL6769590,PC-id_10743146	474.57	GEFMXIZICDSDPA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145914
CCOC(=O)c1sc(c2ccc(F)cc2)cc1NC(=O)CSc1nnc2n1CCCCC2	ZINC22_8879661,CoCoCo_3081970,PC-id_16273397,EMOLS-id_11675104,MCULE-8168058875	474.571	TXXOBWMROUOVSF-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-145915
COC(=O)c1c(NC(=O)CSc2nnc(c3ccc(F)cc3)n2C)sc2c1CCCCC2	ZINC22_9464230,MCULE-4914926350,EMOLS-id_5039421,CoCoCo_3096987,PC-id_16283514	474.571	KESFLTMAPQSSTL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145916
Cc1c(c(=O)[nH]c(n1)N1CCOCC1)CCC(=O)Nc1c(c2c(s1)CCCCC2)C(=O)OC	PC-id_136032353	474.573	HVNYOHHPOZNMIP-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-145917
s1c2c(CCCCC2)c(c1NC(=O)CCC1C(=NC(=NC1=O)N1CCOCC1)C)C(=O)OC	PC-id_76262562	474.573	RUUXHVJXNRSIAC-UHFFFAOYSA-N	00000000100011000101100000000010000000000000000000000000	31-01-145918
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[n+]([nH]oc1=O)c1ccccc1)C(=O)OC	PC-id_53294174	474.573	KOGBABXPSSHCPQ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-145919
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccccc1)C)C(=O)OC	PC-id_53292396	474.573	MQKHCPIHUSTRNB-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-145920
s1c2c(CCCCC2)c(c1NC(=O)CSc1[n+]([nH]oc1=O)c1ccccc1)C(=O)OCC	PC-id_53292314	474.573	CKCKGYVSFDXTEG-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-145921
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[n+]([nH]oc1=O)c1ccccc1)C(=O)OC	PC-id_53292328	474.573	LUTZYSLFWBVBLK-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-145922
Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1[nH]nc2c1CCC/C=CC=C/C2=C	SCHEMBL16270340,PC-id_117722135	474.575	UZNNZMJREGFUJL-XYMCEGRYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-145923
COc1ccccc1C(=O)NCc1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)C#CC(O)(C)C	GD-id_ZINC11970384	474.575	YIYVEARZTAYTMH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-145924
S(=O)(=O)(/N=C/1N(CCCCC1)C)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55920195	474.576	XAJWWSVLANIBHE-QQTULTPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145925
S(=O)(=O)(N=C1N(CCCCC1)C)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_76288206	474.576	XAJWWSVLANIBHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145926
COc1ccccc1C(=O)NCc1nnc2CCN(Cc3cnc(s3)c3ccccc3)CCn12	CoCoCo_1466811,MCULE-6877564615,ZINC22_14973294,PC-id_26330012,CoCoCo_1466812,EMOLS-id_20632293	474.578	XHUBLHUYFNXKEN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-145927
CN1CCC(=NO)c2c(C1=O)n(cc2)CCCCN1CCC(CC1)S(=O)c1ccc(cc1)F	PC-id_88403920,SCHEMBL9040601	474.591	CQWCAIKFUXUXGY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-145928
CCCc1nc2=C(C)C(=S)C(=O)C(=S)C=c2n1Cc1ccc(cc1)c1ccccc1C(=O)O	SCHEMBL9338998	474.594	WUVHRMJOYOSRQH-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-145929
COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)c1nn(c2c1CCCCC2)CC1=CCCCC1	PC-id_143116761	474.595	DPZLLDWWLJONOO-UHFFFAOYSA-N	00000000100011100101000001100010000000000000000000000000	31-01-145930
Oc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2Cc1ccccc1)O	SCHEMBL6779816,PC-id_22737945	474.595	HXONDPSKBNWHCW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145931
Oc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)cn(c2)Cc1ccccc1)O	SCHEMBL6768576,PC-id_22738048	474.595	AKHTYVRYXJFFDH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145932
s1c2CCCCCc2cc1C(=O)NNC(=O)[C@@H](NC1=NS(=O)(=O)c2c1cccc2)C(C)C	PC-id_39435806	474.596	KSCRZVHGSBDLPS-IBGZPJMESA-N	00000011100000100101000000001010000000000000000000000000	31-01-145933
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC1=NS(=O)(=O)c2c1cccc2)C(C)C	PC-id_85511687	474.596	KSCRZVHGSBDLPS-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-145934
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1occc1)C(=O)OC	PC-id_19724367	474.596	LHKMUPQRPZNEOT-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-145935
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1occc1)C(=O)OC	PC-id_19724482	474.596	CAZUKLDTHDDINL-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-145936
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1occc1)C(=O)OCC	PC-id_19724238	474.596	LLMYRESERPNZLP-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-145937
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)CC)C(=O)OC	PC-id_19726138	474.596	SAJXBEDZOULMMO-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-145938
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)C)C(=O)OCC	PC-id_19726098	474.596	LDRMVHDENTTYNJ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-145939
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_19654527	474.596	FJNSLSBKZSOCLU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145940
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1sc2nc(nc(OC)c2c1C)COC	PC-id_55463498	474.596	UTNYAZYUIZQBEU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-145941
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1occc1)C(=O)OC	PC-id_19724212	474.596	QZSTZIMQVXHNPK-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-145942
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)C)C(=O)OC	PC-id_19726067	474.596	GMEXCKWHQYMYTD-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-145943
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(N3CCCC3)cc1)CC2	CoCoCo_1303984,ZINC22_11913053,CoCoCo_1303985,PC-id_42277601	474.598	ODIZPXAPFWCNNR-NRFANRHFSA-N	00000010100000110101100000000010000000000000000000000000	31-01-145944
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(N3CCCC3)cc1)CC2	ZINC22_11913052,PC-id_42277599,CoCoCo_1303983,CoCoCo_1303982	474.598	ODIZPXAPFWCNNR-OAQYLSRUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-145945
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccc(cc3)N3CCCC3)CCn12	PC-id_45198601,EMOLS-id_20522525,MCULE-5785933372	474.598	ODIZPXAPFWCNNR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-145946
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(cc3)N3CCCC3)CCn12	CoCoCo_1385969,ZINC22_12247942,EMOLS-id_20578359,PC-id_42485358,CoCoCo_1385968,MCULE-5453489094	474.598	ARDZQBIRGITTDB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-145947
n12CCN(CCc1nnc2CCNC(=O)COc1ccccc1)Cc1ccc(cc1)N1CCCC1	CoCoCo_1243142,MCULE-3931257477,PC-id_42166524,EMOLS-id_20480291,CoCoCo_1243141,ZINC22_11786299	474.598	YHBUMEQQYACSFY-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-145948
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(CN2CCN(CC2)Cc2ccccc2)cc1	PC-id_55777760	474.598	LMIINNJUDRIGPB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145949
O=c1n2CCCCCc2nn1CC(=O)NCc1c(CN2CCN(CC2)c2ccccc2)cccc1	PC-id_55660997	474.598	GXWMYXONOXNEOY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145950
c1(NC(=O)c2cc(c(OC)c(OC)c2)OC)sc2c(CCCCCCCCCC2)c1C(=O)N	SPECS-id_AK-968/40728931,PC-id_1758376,CoCoCo_5831593,TIMTEC319946,MCULE-8299487179,ZINC22_2103166,EMOLS-id_4156238	474.613	MUOWKSLZTCDWCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145951
CC(c1ccc2-c(cc1)c(cc2CCCCCS(=O)(=O)Nc1ccccc1)S(=O)(=O)[O-])C	PC-id_91934746,BindingDB_PC-id_91934746,GD-id_ZINC29411142	474.613	VRCKXVQAPXCSEC-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-145952
CCOC(=O)Cn1c(C)c(c2c1CCCCC2)Cc1ccccc1S(=O)(=O)N1CCOCC1	PC-id_45255637,SCHEMBL3343451	474.613	QOUQGSINMNQIAV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-145953
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)c(C)cn2Cc1ccccc1	PC-id_22738028,SCHEMBL6779847	474.613	IVTMHFKSMHDQJU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145954
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cc4c(cc3C)OCO4)sc3c2CCCCCC3)c1	ZINC22_408972266	474.614	QLCJCDKBEYBJLT-WKULSOCRSA-N	00000010100000110101000000001010000000000000000000000000	31-01-145955
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(OC)c1O	ZINC22_408970175	474.614	CCSOISVUCFWCQS-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145956
C=CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408969957	474.614	XTDXAGXBPPNSHG-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145957
COc1cc(cc(c1O)CC=C)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1ccccc1	PC-id_137051347	474.614	CCSOISVUCFWCQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145958
COC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1	ZINC22_409013643	474.614	LDJGLIDNOKITGH-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145959
COC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc1	ZINC22_409014608	474.614	NIHKNYCSBHJGSP-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145960
COC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)cc1	ZINC22_409015897	474.614	PGWPREXMNIWMME-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145961
COC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)cc1	ZINC22_409016606	474.614	QONOASSDNRVHIR-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145962
CN1CCN(CC1)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709994	474.618	NXNWGEGGGYPRAV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-145963
COC(=O)c1c2CCCCCCc2sc1NC(=O)CSc1nnc(s1)c1ccncc1	TIMTEC298809,MCULE-3018457725,CoCoCo_6614130,EMOLS-id_6826857,ZINC22_15021797,PC-id_4974145	474.619	LXBCGXIQOXJGMI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-145964
N#C/C(=c
/[nH]c(c(/c1=C/c1ccccc1C)CN)c1ccccc1C)/c1sc2c(n1)C=CC=CC2	PC-id_144596674	474.619	SZWKCMUJOOJIIM-DQHRAUICSA-N	00000000110000110111100000000010000000000000000000000000	31-01-145965
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1sc2nc(sc2c1)N(C)C)C)C#N	PC-id_56178387	474.619	QIAISACZUFZWBL-UHFFFAOYSA-N	00000000100000000101000100000010000000000000000000000000	31-01-145966
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(Nc2ccccc2)nn1)C(=O)OC	PC-id_3901242	474.619	KGHIZYNCGUZMTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145967
CCCCCCCC(=O)C1=C(C)c2coc(c2CC(C1)(C(=O)OC)C(=O)OC)CCCCCC	PC-id_101789546	474.629	GOMDLPRVDXUAHV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-145968
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2	GD-id_ZINC08455308,PC-id_40737803	474.633	QUYLVXZCCZSRQF-RBUKOAKNSA-M	00000000100011000100000000000010000000000000000000000000	31-01-145969
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)C1C(CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_74712939	474.633	QUYLVXZCCZSRQF-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-145970
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)[C@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_40737797	474.633	QUYLVXZCCZSRQF-MOPGFXCFSA-M	00000000100011000100000000000010000000000000000000000000	31-01-145971
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_40737799	474.633	QUYLVXZCCZSRQF-OALUTQOASA-M	00000000100011000100000000000010000000000000000000000000	31-01-145972
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC=CC1)C(=O)[O-])C(=O)OCC	PC-id_40737801	474.633	QUYLVXZCCZSRQF-RTBURBONSA-M	00000000100011000100000000000010000000000000000000000000	31-01-145973
CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)C1CCCN1S(=C)(=O)c1ccccc1	PC-id_88872246	474.636	OTSNIYZNUMDCGD-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-145974
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(SC(C)C)cc1)C(=O)NC(=O)OCC	PC-id_16838858	474.636	SPRANDMZGWMGSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145976
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(cc1)C)C(=O)NC(=O)OCC	PC-id_41086306	474.636	NEJGSQQEFCAQBM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145977
s1c2c(CCCCC2)c(c1NC(=O)CCCSCc1ccccc1)C(=O)NC(=O)OCC	PC-id_41581285	474.636	CKJKFPIPUZHWEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145978
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C)ccc1)CC)C(=O)OCC	PC-id_18908778	474.636	YWVQZWKJBUGJTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145979
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC)ccc1)C)C(=O)OC	PC-id_18908975	474.636	LOLFMHDLCAIPJL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145980
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CCC)ccc1)C(=O)OCC	PC-id_18909009	474.636	WDYLDEUKZTYLKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145981
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CCCC)ccc1)C(=O)OC	PC-id_18909668	474.636	UWVJAEPVRBBTFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145982
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OCCCC)C(=O)OCC	PC-id_20414025	474.636	MFJVIOHGJFXQHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145983
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C)ccc1)CC)C(=O)OC	PC-id_18908779	474.636	VBRXSMTZTHFICO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145984
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C)ccc1)C)C(=O)OCC	PC-id_18908714	474.636	IJEXTBYQDIMUKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145985
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CCC)ccc1)C(=O)OC	PC-id_18909010	474.636	JHZZDFYCBGSFAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145986
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OCCCC)C(=O)OC	PC-id_20414018	474.636	GEVGYLXDFFTLHY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145987
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OCCC)C(=O)OCC	PC-id_20413935	474.636	KCOPPDNDPVLIGG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145988
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OC(C)C)C(=O)OCC	PC-id_20414093	474.636	KCXFUXHJWLILSW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-145989
CC(CC(=N)C(=O)C1C=C(C)CC/C=Cc2c1cn(n2)Cc1cnc(c(c1)C)COC1CCC1)C	SCHEMBL19673508	474.638	KDFRXBHFWDAELY-XVGFFBSQSA-N	00001000100000101111000000000010000000000000000000000000	31-01-145990
CN1CCCC1c1ccc(cc1)Cn1cc2c(c1Nc1ccccc1)COOCN2CC(C)(C)C	SCHEMBL17656448,PC-id_121258530	474.638	HPNZYFWSPIZDOV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-145991
s1c2c(CCCCC2)c(c1NC(=O)CSc1ncnc(N2CCCCC2)c1)C(=O)OCC	PC-id_45546023	474.639	PRMBKDVEYLETNF-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-145992
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC=C)C(=O)OC	PC-id_17266963	474.639	RWZNAEMUTCZDRD-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-145993
CCN(CC)c1ccc(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)cc1	MCULE-2153117096,PC-id_45208612,EMOLS-id_20566103	474.641	GUIFLZCICLUFTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145994
CCN(CC)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	CoCoCo_1367317,ZINC22_23337959,CoCoCo_1367318,PC-id_31016231	474.641	GUIFLZCICLUFTO-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145995
CCN(CC)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	PC-id_31016229,CoCoCo_1367316,CoCoCo_1367315,ZINC22_23337957	474.641	GUIFLZCICLUFTO-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-145996
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C1C[NH+](CCC1)C	PC-id_74494033	474.641	MLYBRAMALWPJNE-UHFFFAOYSA-P	00000000100010110101100000000010000000000000000000000000	31-01-145997
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)[C@H]1C[NH+](CCC1)C	PC-id_26277445	474.641	MLYBRAMALWPJNE-RUZDIDTESA-P	00000000100010110101100000000010000000000000000000000000	31-01-145998
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)[C@@H]1C[NH+](CCC1)C	PC-id_26277447	474.641	MLYBRAMALWPJNE-VWLOTQADSA-P	00000000100010110101100000000010000000000000000000000000	31-01-145999
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1n(CC(C)C)c(nn1)CCC(=O)N)C)C#N	PC-id_27978689	474.643	RNIALULODMJVKX-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146000
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1n(CC(C)C)c(nn1)CCC(=O)N)C)C#N	PC-id_27978690	474.643	RNIALULODMJVKX-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146001
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC(C)C)c(N2CCOCC2)nn1)C#N	PC-id_46826929	474.643	RCUNSSPGEVWVEI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-146002
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(CC(C)C)c(nn1)CCC(=O)N)C)C#N	PC-id_24500702	474.643	RNIALULODMJVKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146003
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)Nc1c(C)cccc1C	SPECS-id_AG-205/41004539,MCULE-1513656410,ZINC22_2190956,EMOLS-id_6782000,PC-id_1825482,CoCoCo_1965264	474.657	UUDDTWAZOWKVAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146004
CCCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1cc(C)ccc1C)CCCCCC2	ZINC22_409013427	474.657	KIQIESOVLRSWQO-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146005
CCCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1cccc(C)c1C)CCCCCC2	ZINC22_409020142	474.657	ZNFSLJLAXIKDCB-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146006
CCCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1cc(C)cc(C)c1)CCCCCC2	ZINC22_409011180	474.657	FAPQLASGFKTLEN-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146007
CCCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccc(C)c(C)c1)CCCCCC2	ZINC22_409011933	474.657	GVCAOHUUKDJHTE-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146008
COc1cc(C)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1C(C)C	ZINC22_408971804	474.657	LLGVWMMYBBKRDD-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146009
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)NCCCOC(C)C)C#N	PC-id_55739306	474.659	MSVAHDSNNOUZKL-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-146010
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(C(C)(C)C)ccc1OC)C(=O)OCC	PC-id_20413060	474.679	LEIGBDGEEBOUAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146011
CCOc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)C=NC(=O)Cc1cnc(s1)C	PC-id_145451568	474.682	GDIXJQBLNODCIJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146012
COCO[C@H]1C/C(=C/c2cc(c(o2)COCC(C#CC1O[Si](C(C)(C)C)(C)C)(C)C=C)C)/C	PC-id_102216344	474.705	WUNCYMREGQPLGH-SBPUSZBXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-146014
CCCCCCCCCCCCn1nnc2c1CCCCCC2OCC(=O)NCC1CCCC1	PC-id_140575934	474.722	CKFNWQIWBVHQQB-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-146015
Ic1cc(OC)c(C(=O)NCCc2n3CCCCCc3nn2)cc1Cl	PC-id_55618603	474.724	KCMUMQIPGDYJRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146016
c1(NC(=O)c2cc(I)ccc2Cl)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_1770552,CoCoCo_970963,ChEMBL-DNDi_CHEMBL7722531,MCULE-4483161923,ZINC22_1108544,PC-id_1287360	474.744	LORQNVNJZJDREJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146017
c1(CN(c2ccc(cc2)Br)C(=O)Nc2ccc(cc2)Cl)nnc2CCCCCn12	PC-id_2311085,ZINC22_3172477,CoCoCo_3724508,EMOLS-id_42849542,MCULE-3299027925	474.781	PQPMETLVJXQBNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146018
c1(CN(c2ccc(cc2)Br)C(=O)Nc2cccc(Cl)c2)nnc2CCCCCn12	EMOLS-id_5471836,PC-id_1045816,CoCoCo_1969192,MCULE-2308585760,TIMTEC184311,ChEMBL-DNDi_CHEMBLF0820-0214,ZINC22_720080	474.781	GZKSGBAGWUSJBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146019
c1(CN(c2ccc(cc2)Cl)C(=O)Nc2ccc(cc2)Br)nnc2CCCCCn12	ZINC22_41104795,EMOLS-id_30307638,MCULE-6777673934,PC-id_52101947	474.781	PWDOETHMCBXFIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146020
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)Br)C(=O)Nc1cccc(Cl)c1	ZINC22_1468149,PC-id_1538839,MCULE-4854381859	474.781	FDEUXIQDEWRYDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146021
n1c2CCCCCn2nc1CN(c1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1	ZINC22_28527090,MCULE-2965444579,PC-id_16458483,CoCoCo_6600575	474.781	XKPVVGSNDZLCBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146022
Clc1ccc(NCc2nn(CC(=O)c3ccc(Br)cc3)c3CCCCC[n+]23)cc1	CHEBI:103885,BindingDB-id_109102,ChEMBL-DNDi_CHEMBL1619834,BindingDB_PC-id_3277319,EMOLS-id_299983276,SPECS-id_AT-225/NB55362,GD-id_ZINC15974047,ZINC22_15974047,CoCoCo_5790970,PC-id_3277319,MCULE-6107008747	474.801	TXETVFLRKCMROY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146023
[n+]1(CC(=O)c2ccc(Cl)cc2)c2CCCCCn2c(CNc2ccc(Br)cc2)n1	GD-id_ZINC26441563,ZINC22_26441563,CoCoCo_5791494,PC-id_16432509,MCULE-3943680618	474.801	HWHYOWSWNIWQKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146024
O=C(C[n+]1c(CNc2ccc(Cl)cc2)nn2c1CCCCC2)c1ccc(Br)cc1	ZINC22_28526989,PC-id_35754470,CoCoCo_6600462,GD-id_ZINC28526989	474.801	UYSJGDQPGHNXLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146025
Clc1c(NCC(=O)Nc2sc3CCCCCCCCCCc3n2)c(Cl)cc(Cl)c1	PC-id_30377084	474.875	ZMXFTDNEVRCXRJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146026
C=C/C=C(C(=C/CNC(=O)c1ccc(nc1C)C(F)(F)F)c1nc2=CCC=CC=c2n1C)/Cl	PC-id_143226238	474.906	KNJOWIXVEKKLAN-GTCWBNKLSA-N	00000000100000101111000000000010000000000000000000000000	31-01-146027
CC=C(C=CC(=C)F)C1CCCCn2c1nc(n2)Nc1cc(c(c(c1)F)n1cc(nc1)Cl)F	PC-id_90835652	474.909	HUNUNXHABPWSQX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146028
Clc1c(C[NH+]2CCn3c(nnc3CNC(=O)c3cc(F)ccc3)CC2)ccc(OC)c1OC	PC-id_42246305	474.936	UONHPICBFTZBMF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146029
Clc1c(C[NH+]2CCn3c(nnc3CNC(=O)c3cc(F)ccc3)CC2)cc(OC)c(OC)c1	PC-id_42193100	474.936	IANMIJYGQYDIRE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146030
CC(C)c1ccc2-c(c(cc2CNC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)C(=O)O)cc1	PC-id_44292331,BindingDB_PC-id_44292331,CHEMBL44769	474.957	MTPCERKXCLHZCU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146031
Clc1ccc(OCc2c(noc2C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_19443684	474.957	ZGCIMOAJWSRNJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146032
Clc1cc(OCc2c(noc2C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_19443987	474.957	VELLBASCCWWZOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146033
Clc1c(OCc2c(noc2C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1	PC-id_19443382	474.957	BDUUZPXVQODVGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146034
Clc1c(OC)c(OC)cc(c1)C=CC(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_3902641	474.957	HIFFXTBZHZASMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146035
Clc1c(OC)c(OC)cc(c1)/C=C/C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_5952311	474.957	HIFFXTBZHZASMI-CMDGGOBGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146036
Clc1ccc(C(NC(=O)N)CC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_24380790	474.96	VPGAREVPOSEWCG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146037
Clc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(occ3)C)C)CC2)cc(OC)c(OC)c1	PC-id_42320467	474.96	TWQKPXQFPWKMEP-CQSZACIVSA-O	00000000101000110101000000000010000000000000000000000000	31-01-146038
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(occ3)C)C)CC2)cc(OC)c(OC)c1	PC-id_42320475	474.96	TWQKPXQFPWKMEP-AWEZNQCLSA-O	00000000101000110101000000000010000000000000000000000000	31-01-146039
Clc1c(C[NH+]2CCn3c(nnc3CNC(=O)c3c(oc(c3)C)C)CC2)cc(OC)c(OC)c1	PC-id_42275523	474.96	KZMLKWQSSMHYIX-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-146040
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(occ3)C)C)CC2)cc(OC)c(OC)c1	PC-id_74791948	474.96	TWQKPXQFPWKMEP-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-146041
Clc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1OC(F)F	PC-id_20171856	474.972	UYTUUQABSYHFHL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146042
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1OC(F)F	PC-id_20171849	474.972	QRBRWMWMHPFUQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146043
Clc1cc(C(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)c(F)cc1	PC-id_55842314	474.979	BOGMCVCHEDZVNF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146044
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	ChEMBL-DNDi_CHEMBL23821871,EMOLS-id_20478699,MCULE-7463063338,PC-id_45188642	474.984	HKJVRLXQSDSFTN-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-146045
C[C@@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	PC-id_28956206,CoCoCo_1240870,CoCoCo_1240873,ZINC22_11870844,CoCoCo_1240871,CoCoCo_1240872	474.984	HKJVRLXQSDSFTN-OAHLLOKOSA-N	00000010100010100101000000001010000000000000000000000000	31-01-146046
C[C@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	ZINC22_11870846,CoCoCo_1240875,PC-id_28956208,CoCoCo_1240877,CoCoCo_1240874,CoCoCo_1240876	474.984	HKJVRLXQSDSFTN-HNNXBMFYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-146047
CN1CCCC(C1)C(=O)NCCc1nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	MCULE-1201758692,PC-id_45184682,EMOLS-id_20461685	474.984	IJLOPFDAYZARIG-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-146048
CN1CCC[C@H](C(=O)NCCc2nnc3n2CCN(Cc2cc4c(cc2Cl)OCO4)CC3)C1	CoCoCo_1216424,CoCoCo_1216426,CoCoCo_1216425,ZINC22_14888813,CoCoCo_1216427	474.984	IJLOPFDAYZARIG-INIZCTEOSA-N	00000010100010100101000000001010000000000000000000000000	31-01-146049
CN1CCC[C@@H](C(=O)NCCc2nnc3n2CCN(Cc2cc4c(cc2Cl)OCO4)CC3)C1	ZINC22_14888811,CoCoCo_1216430,CoCoCo_1216431,CoCoCo_1216428,CoCoCo_1216429	474.984	IJLOPFDAYZARIG-MRXNPFEDSA-N	00000010100010100101000000001010000000000000000000000000	31-01-146050
N#Cc1c(NC(=O)CSc2nnc(o2)COc2ccc(cc2)Cl)sc2c1CCCCC2	PC-id_112785938	474.984	CGBKZBLWRGDGDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146051
NCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)Cl)C(=O)O)C	PC-id_139605587	475	ISLCIVQSPXMIOK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146052
Clc1cc(NC(=O)CN(CCC(=O)Nc2sc3CCCCCc3c2C#N)C)c(OC)cc1	PC-id_24428374	475.003	NGWDOBZZPYXAEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146053
Clc1cc(NC(=O)CN(C(C(=O)Nc2sc3CCCCCc3c2C#N)C)C)c(OC)cc1	PC-id_24506709	475.003	RHYBNEMTTOQNGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146054
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C#N)ccc1F	PC-id_22195421	475.022	CTVRXBUMEKEBDA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146055
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C#N)ccc(F)c1	PC-id_22194469	475.022	KKOKCQIIFFAZCO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146056
Clc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)ccn2Cc1ccccc1	SCHEMBL6774689,PC-id_22737907	475.025	DEAVORPQFWNQNA-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-146057
Clc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)cn(c2)Cc1ccccc1	SCHEMBL6773192,PC-id_22737965	475.025	AVLMMPBCNDVHSB-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-146058
Clc1cc2nc(SCC(=O)Nc3sc4CCCCCc4c3C#N)n(c2cc1)CCOC	PC-id_24440744	475.027	QNHSRHNAYDFOLD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-146059
Clc1ccc(Cn2ncc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2)cc1	PC-id_19676776	475.027	LXCUKFYRUUPKLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146060
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cc2)cc1	PC-id_19676715	475.027	VPLAOYIUWOWSPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146061
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2)cccc1	PC-id_20168159	475.027	QEPDOFQXMOUSKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146062
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cc2)cccc1	PC-id_20166585	475.027	NNYYOOLTQBQQMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146063
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nn(Cc2ccccc2)c1	PC-id_20174148	475.027	PARUEVVEOVYYDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146064
Clc1cn(nc1)Cc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_20171689	475.027	MJROMLIJBKCIGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146065
CC#CC(C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_154682056	475.083	HADNWIJJECJFSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146066
CC(C#C)(C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155062059	475.083	RCGBJGOKLQHKSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146067
CN(CC1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)Br)F)C)C	SCHEMBL18353389	475.333	DJWSBEYWJBPZMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146086
CC(C#C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155061972	475.083	RCGBJGOKLQHKSU-IKJXHCRLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146068
C[C@@](C#C)([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155257994	475.083	RCGBJGOKLQHKSU-KBXCAEBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146069
CC(C#C)([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155257996	475.083	RCGBJGOKLQHKSU-PIVQAISJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146070
C[C@](C#C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155258040	475.083	RCGBJGOKLQHKSU-KDOFPFPSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146071
CC#C[C@@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_154682076	475.083	HADNWIJJECJFSJ-KGLIPLIRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146072
CC#C[C@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_154682231	475.083	HADNWIJJECJFSJ-ZIAGYGMSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146073
CC#C[C@H]([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155257971	475.083	HADNWIJJECJFSJ-UONOGXRCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146074
CC#C[C@@H]([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155257972	475.083	HADNWIJJECJFSJ-KBPBESRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146075
CC(=C)[C@]1(CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)CO	PC-id_155062032	475.119	INEYTSIIVGKKDW-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-146076
CC(C)OC(C1=CN(CC(C2=C1SC(=C2)C(F)(F)F)(C)C)C(=O)C3=CC(=C(C=C3)F)F)O	PC-id_155203786	475.124	RPOITYATEZYYBU-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-146077
BrC1CCc2c(CCC1Br)cn(c2C(F)(F)F)C(=O)OC(C)(C)C	PC-id_138968950	475.139	MSLPTJYRALNSFZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-146078
CC(C)CC(C(=O)CC1CCC2=COC(=N2)CCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_162156679	475.178	ZLXNZMLYGFAMED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146079
CC(C)C(C(=O)CC1CC2=COC(=N2)CCCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_160755572	475.178	RXJPCCPDTOBJGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146080
CC(C)C(C(=O)CC1CCC2=C(CCCNC(=O)C1=O)ON=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_160974917	475.178	SYSQGJLPKDYGTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146081
CC(C)C(C(=O)CC1CCCC2=NOC(=C2)CCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_152842821	475.178	SZISONBWCRLSTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146082
CCCC[Sn](c1cc2-c(c1C(=O)OC)ccccc2)(CCCC)CCCC	SCHEMBL5348920,PC-id_58786104	475.242	YMTRZTOCVPHHAG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-146083
CCC1=NN(C2=C1C(=O)NCCCOCCC2)CCCCC(=O)C3CCCN(C3)C(=O)N(C)C	PC-id_155203621	475.316	ARGKDXNAZCEDPP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146084
CC/C(=CN(C)C)/C(=O)c1cc2=CC(C=C(C=c2n1SI)NC=O)F	SCHEMBL20084726,PC-id_134449055	475.32	NHJMNGAMQJYHNU-PKNBQFBNSA-N	00000000100000000110000000000010000000000000000000000000	31-01-146085
C1CN(C(c2c(c(nn2C1)C(=C[N+]#N)[O-])C(F)(F)F)Cc1ccccc1)C(=O)OC(F)(F)F	SCHEMBL16100479,PC-id_90461104	475.345	RHPYJQJDNVRPFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146087
C1CN(Cc2cc(nn2C1)C(=O)C=[N+]=[N-])C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL17509120,PC-id_136960056	475.345	RAYAKSGEDZYLQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146088
Brc1c2NC(=O)C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CCNCC)c2cc(F)c1	PC-id_70917180	475.354	RXRSIQZPYVGUBP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-146089
CCNCCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)cc2Br	SCHEMBL13480201	475.354	RXRSIQZPYVGUBP-PTNGSMBKSA-N	00000010100000100100000000001010000000000000000000000000	31-01-146090
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)c(F)cc(F)c1	PC-id_19679772	475.371	PZAZIWPKLBINKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146091
CC(C)C(=O)[C@@H](CCCCn1c2c(C(CCCCC2)OCC(=O)C(C)(C)C)nn1)CC(C)(C)C	PC-id_163785895	475.377	KQORQPLLTMSBSB-BBQAJUCSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146092
Brc1cc(CC(CCCCn2c3c(nc2)NC=NCC3=O)(C)C(=O)OCC)ccc1	PC-id_10766918	475.379	HFWVROAXYPJBLJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-146093
Brc1cc(CC(CCCCn2c3NC=NCC(=O)c3nc2)(C)C(=O)OCC)ccc1	PC-id_10766917	475.379	KRXXSZIPOHRMFW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-146094
Clc1c(c2oc(C=CC(=O)Nc3sc4c(CCCCC4)c3C(=O)N)cc2)cccc1Cl	PC-id_3988379	475.387	OXPSFLRJLUDKPY-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-146095
Clc1c(c2oc(C=CC(=O)Nc3sc4c(CCCCC4)c3C(=O)N)cc2)ccc(Cl)c1	PC-id_73369184	475.387	QEMZSAVRFYPJGQ-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-146096
Clc1cc(c2oc(C=CC(=O)Nc3sc4c(CCCCC4)c3C(=O)N)cc2)cc(Cl)c1	PC-id_73369185	475.387	YHOHDPGTUBLBPL-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-146097
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)c2c(OC)cc(Cl)cc2)cc1	PC-id_69953977,SCHEMBL6989325	475.387	SAHKQZWRJGJHLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146098
NC(=O)c1c(NC(=O)/C=C/c2ccc(c3ccc(Cl)cc3Cl)o2)sc2c1CCCCC2	PC-id_17117857,ZINC22_8901449	475.387	QEMZSAVRFYPJGQ-DHZHZOJOSA-N	00000000101000110100100000000010000000000000000000000000	31-01-146099
NC(=O)c1c(NC(=O)/C=C/c2ccc(c3cc(Cl)cc(Cl)c3)o2)sc2c1CCCCC2	PC-id_17117859,ZINC22_8901456	475.387	YHOHDPGTUBLBPL-VQHVLOKHSA-N	00000000101000110100100000000010000000000000000000000000	31-01-146100
Clc1c(C(=O)Nc2c(OC)cc(C(=O)N3CCCCc4sccc34)cc2)ccc(Cl)c1	SCHEMBL8796709,PC-id_57215016	475.388	SQKUGEQEUMKJCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146101
CN(Cc1ccc(c2ccc(Br)cc2)o1)C(=O)CSc1nnc2n1CCCCC2	CoCoCo_4054314,PC-id_17431920,MCULE-1730921321,EMOLS-id_13443033,ZINC22_14070373	475.402	CGWDBDYNZLNHOV-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-146102
s1c2CCCCCc2nc1NC(=O)c1c(n(nc1)c1ncc(cc1)C(F)(F)F)C(F)(F)F	PC-id_24666641	475.411	SRLGHEHJVMXDOW-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-146103
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(F)(F)F)[N+](=O)[O-]	PC-id_89580509,SCHEMBL14966245	475.421	NPFMCOAFYIKHNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146104
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14965587,PC-id_89580030	475.421	JLSPPJXNTGXUTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146105
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1	PC-id_19523838	475.421	RTQOYKABPPELNI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146106
C(NC(=O)Cc1ccccc1)(C(F)(F)F)(C(F)(F)F)Nc1sc2c(CCCCC2)c1C#N	EMOLS-id_4557197,PC-id_2006994,TIMTEC557322,MCULE-6381231506,ZINC22_2409475,STOCK4S-04103	475.45	XTOQXYWRADJNRV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146107
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1n(ncc1C(=O)OCC)c1ccccc1	PC-id_19523644	475.464	IXPCLKFJEWUOQG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146108
CC(C)(C)OC(=O)N1CCc2c(n(nc2CC1)Cc1ccccc1)OS(=O)(=O)C(F)(F)F	SCHEMBL2076437,PC-id_87332279	475.482	WEJIQLIMVIPFQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146109
CC(C)(C)OC(=O)N1CCc2c(OS(=O)(=O)C(F)(F)F)nn(Cc3ccccc3)c2CC1	PC-id_86598390,SCHEMBL2075466,EMOLS-id_337738685,MCULE-1115682817	475.482	JIVLLUBBMQZCOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146110
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4ccccc4C(F)(F)F)CCn23)cc1	ChEMBL-DNDi_CHEMBL13726453,ZINC22_19742008,PC-id_28310844,CoCoCo_1152271,MCULE-5455422157,CoCoCo_1152272,EMOLS-id_20415306	475.482	PHZZQANNPOUGTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146111
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4cccc(c4)C(F)(F)F)CCn23)cc1	MCULE-1835140780,PC-id_26323190,CoCoCo_1447778,ZINC22_14962248,EMOLS-id_20619703,CoCoCo_1447777	475.482	ZJCIYPGDYBHTLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146112
O(C(=O)C(C)(C)C)COC(=O)c1c2-c(n(c1=O)CC(=O)OCOC(=O)C(C)(C)C)ccccc2	PC-id_12852662	475.488	FIBHWGMSTIDANP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-146113
O=C(CNC(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1)NCc1ccc2OCOc2c1	PC-id_42855059,EMOLS-id_30166723,MCULE-3297057568	475.496	XWIBWTMOGRKUFW-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-146114
O=C(c1cc2c(s1)CCCCC2)NNS(=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)F	CoCoCo_3538151,MCULE-5798877160,PC-id_25689098,EMOLS-id_24165735	475.505	PNKXALYLMIBEAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146115
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)NCC(F)(F)F)ccc1	PC-id_24554137	475.505	ZUGUZBXCKPPKIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146116
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(c3)C(F)(F)F)CCn12	EMOLS-id_20583907,PC-id_45212775,MCULE-8535984662	475.507	QNFRBPZEAWGUSD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-146117
CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	PC-id_26350563,CoCoCo_1394401,ZINC22_14995078,CoCoCo_1394402	475.507	QNFRBPZEAWGUSD-LJQANCHMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-146118
CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2	PC-id_26350566,ZINC22_14995080,CoCoCo_1394403,CoCoCo_1394404	475.507	QNFRBPZEAWGUSD-IBGZPJMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-146119
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(n(nc1C)Cc1cc(OC)ccc1)C	PC-id_19523725	475.507	MEVPGYYNRHYMNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146120
c12C(=O)N(CCCn1nc(C(=O)NCCc1c[nH]c3ccc(OC)cc13)c2)Cc1ccc(cc1)F	EMOLS-id_32846226,PC-id_50797841,MCULE-8914611590	475.515	UJHIGLNGUSGPPH-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-146121
N1(Cc2ccc3c(OCO3)c2)C(=O)c2c(cc(cc2)C(=O)Nc2sc3c(CCCCC3)n2)C1=O	EMOLS-id_334602610,MCULE-5959259079	475.516	AGOSBOYBAFIQCT-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-146122
C/C/1=C[C@H](C[C@H](Cc2nc(co2)C(=O)NCC(=O)O[C@@H](C/C=C/C(=O)NCC=C1)C(C)C)O)O	SCHEMBL20718477,PC-id_137477185	475.535	MHUUBZLUFZZXOD-NUEOZUBDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-146123
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccccc1)C(=O)OC	PC-id_4142558	475.538	QGHIKMLTGBPWFT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146124
c1(NC(=O)CCNC(=O)c2cc3n(n2)CCCN(Cc2ccc(cc2)C)C3=O)ccc(cc1)OC	PC-id_46049990,MCULE-7991603512,EMOLS-id_25387802	475.54	KDQCILVLIAFRLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146125
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)Nc1ccc(OC)cc1)Cc1ccc(cc1)C	PC-id_42855072	475.54	FKJTVZXXENLJJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146126
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)Nc1ccc(OC)cc1)Cc1cc(ccc1)C	PC-id_42855098	475.54	RADIOJQOYHRAMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146127
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)Nc1ccc(OC)cc1)Cc1cc(ccc1)C	PC-id_46050034	475.54	GIUKLHITNVZETQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146128
O=C1N(CCCn2nc(cc12)C(=O)NC(C)C(=O)Nc1ccc(OC)cc1)Cc1c(cccc1)C	PC-id_46159992	475.54	GWURMCSYDWQXNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146129
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)Nc1ccc(OC)cc1)Cc1c(cccc1)C	PC-id_46159999	475.54	XJXKLVWWYFPGLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146130
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)Nc1ccc(OC)cc1)C)Cc1c(cccc1)C	PC-id_42855126	475.54	JKTJOHYQIAKFQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146131
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)Nc1ccc(OC)cc1)C)Cc1ccc(cc1)C	PC-id_46049968	475.54	NSIJKGFRCJLDPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146132
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)Nc1ccc(OC)cc1)C)Cc1cc(ccc1)C	PC-id_46050010	475.54	GWNHOHIUHVVWAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146133
O=C(N1C(CCCC1)C(=O)NCc1occc1)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049463	475.54	VIWVRYGHLKPHGH-UHFFFAOYSA-N	00000000101010110101000000000010000000000000000000000000	31-01-146134
O=C(N(C1CC1)CCC(=O)NCc1occc1)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46159971	475.54	VDRZJKUARHYADL-UHFFFAOYSA-N	00100000101000110101000000000010000000000000000000000000	31-01-146135
O=C(NCc1occc1)C1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049474	475.54	YLXGVQAJOSECJF-UHFFFAOYSA-N	00000000101010110101000000000010000000000000000000000000	31-01-146136
O=C(NCCc1n2CCCCCc2nn1)c1cc2c(n(nc2)Cc2c(OC)cc(OC)cc2)nc1	PC-id_55634647	475.543	ATCNFQTUASEEPW-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-146137
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CCCOc1ccc(OC)cc1)C(=O)OC	PC-id_4336510	475.555	WFAKBKQEUOUUAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146138
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(F)cc1)C(=O)OCC	PC-id_3501040	475.556	AHKUSBOFYZYDAC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146139
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1c(F)cccc1)C(=O)OCC	PC-id_4419399	475.556	FDMHKEKSIKTKGT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146140
S(=O)(=O)(O)c1c2-c(c(CCCCNS(=O)(=O)c3ccc(cc3)C)c1)ccc(C(C)C)cc2	PC-id_15020254	475.621	WRBZEMUGTLWPGL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146214
c12C(=O)N(CCCn1nc(C(=O)N1CCN(CC1)c1cc(C)ccc1C)c2)Cc1cccc(F)c1	EMOLS-id_32632896,PC-id_53086352,MCULE-1265873040	475.558	DMMRDHXGCTULRL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146141
c12C(=O)N(CCCn1nc(C(=O)NC1CCN(CC1)Cc1ccccc1)c2)Cc1ccc(cc1)F	MCULE-3626253775,PC-id_20964756,CoCoCo_2544588,CoCoCo_2544587,EMOLS-id_16324724	475.558	FLKNTPKBTJXALO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146142
CCC(Cn1c(CN2C(=O)CN(CC2=O)c2ccc(cc2)F)cc2c1N=C(C#N)C(C=C2)C)(C)C	PC-id_142217340	475.558	XFOUYSQKDJUWAV-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-146143
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1	PC-id_25444130	475.558	ILIYATSCRQPSCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146144
COc1ccc(CCN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2nc3CCCCCc3s2)cc1	EMOLS-id_334605170,MCULE-3253486355	475.559	MYJYAUALMAIHJY-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-146145
O=C(CSc1nnc2n1CCCCC2)NCCN1C(=O)S/C(=C/c2ccccc2F)/C1=O	CoCoCo_3081812	475.559	FRJPWMNBFQRCCG-FOWTUZBSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-146146
O=C(CSc1nnc2n1CCCCC2)NCCN1C(=O)SC(=Cc2ccccc2F)C1=O	EMOLS-id_26050318,PC-id_4793482,MCULE-5079844089	475.559	FRJPWMNBFQRCCG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-146147
O=C(CSc1nnc2n1CCCCC2)NCCN1C(=O)S/C(=Cc2ccccc2F)/C1=O	PC-id_6212646,CoCoCo_3081811,ZINC22_13138260	475.559	FRJPWMNBFQRCCG-VBKFSLOCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-146148
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(NC(=O)C2Oc3c(C2)cccc3)ccc1	PC-id_55821690	475.559	GFPJMWNNKVIXLC-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-146149
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(N)c(nn1)c1c(F)cccc1)C(=O)OC	PC-id_2558536	475.559	ZUYWEQIQRZPPSV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146150
CC(CC(C(=O)NC1Cc2cnn(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730732,SCHEMBL21109890	475.561	MVWRJVUNUHQLJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146151
CC(CC(C(=O)NC1Cc2cn[nH]c2CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110284,PC-id_138731124	475.561	KWCDBAZBRGEKTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146152
CC(CC(C(=O)NC1Cc2[nH]nc(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110254,PC-id_138731095	475.561	MLZNFHYALXWQSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146153
CC(CC(C(=O)NC1CCc2cnn(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109376,PC-id_138730224	475.561	ZIUBGIHUSVAYDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146154
CC(CC(C(=O)NC1CCc2[nH]nc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730495,SCHEMBL21109650	475.561	GWRHMIDRSRDLND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146155
CC(C(C(=O)NC1Cc2ccn(n2)CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21111092,PC-id_138731858	475.561	SKPHMVYLNLCABR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146156
CC(C(C(=O)NC1Cc2cnc([nH]2)CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730441,SCHEMBL21109596	475.561	VRQXLAHJWGXUMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146157
CC(C(C(=O)NC1Cc2[nH]nc(c2)CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730804,SCHEMBL21109962	475.561	QTSSWFROYWJCSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146158
CC(C(C(=O)NC1CCc2cnn(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21111039,PC-id_138731816	475.561	JIRQQEOWBAYHDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146159
CC(C(C(=O)NC1CCc2n[nH]c(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730701,SCHEMBL21109858	475.561	NLROCCZEYAJLIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146160
CC(C(C(=O)NC1CCCc2[nH]nc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731826,SCHEMBL21111054	475.561	WBDHBBXTZZRIHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146161
CC(C(C(=O)NC1CCCn2ncc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110381,PC-id_138731221	475.561	VKBVXAWYJDSFBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146162
O=C(N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)CCC1CC1	SCHEMBL21041926,PC-id_138671539	475.568	AELQHHJMVUHJAM-DLBZAZTESA-N	00100000100010000101000000000010000000000000000000000000	31-01-146163
CC(C)c1ccc2-c(c(cc2CCCC(=O)NS(=O)(=O)c2ccccc2)S(=O)(=O)O)cc1	PC-id_44292083,CHEMBL1205041	475.578	PQXPAJDBWQRWPW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146164
O=C(NC(Cc1ccccc1)C(=O)NC)C(CCCCc1c2-c(cc1)ccccc2)CC(=O)NO	PC-id_19606537	475.579	BYHOQYMGSYUNQW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146165
O=C(N[C@@H](Cc1ccccc1)C(=O)NC)[C@H](CCCCc1c2-c(cc1)ccccc2)CC(=O)NO	SCHEMBL8483801,PC-id_18395292	475.579	BYHOQYMGSYUNQW-NOZRDPDXSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146166
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)NC2=NCCC2)ccc1	PC-id_31208196	475.581	ZOPAHZJOYZZSLG-UHFFFAOYSA-N	00000011100000110100000000000010000000000000000000000000	31-01-146167
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(ccc(S(=O)(=O)NCC)c1)C)C#N	PC-id_24379605	475.581	ORFGBJHWLQFLKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146168
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C)C#N	PC-id_24375296	475.581	PTUYWPJHYWSFHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146169
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(cc1)C)C#N	PC-id_42966047	475.581	UKOWAMSPCKEMAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146170
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)[C@@H](NS(=O)(=O)c1ccccc1)C)C)C#N	PC-id_55935623	475.581	MTNQGGFAUFUMMR-MLCCFXAWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146171
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C(NS(=O)(=O)c1ccccc1)C)C)C#N	PC-id_76272075	475.581	MTNQGGFAUFUMMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146172
c12CN(C(COc1n(nc2C)C)COc1cccnc1)Cc1cc2c(cccc2)n1CCCOC	MCULE-2783618216,EMOLS-id_264817863	475.583	HJJMCNDZSKBNRN-UHFFFAOYSA-N	00000000100000101101000001100010000000000000000000000000	31-01-146173
C1CC(OC1)CNCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CCOc1ccccc1	PC-id_134808999	475.583	JWOKIWGDPLJGAJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-146174
Cc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@@H](C)Cc2ccc4c(c2)OCO4)CC3)cc1	CoCoCo_1153498,PC-id_42434583,ZINC22_12155995,CoCoCo_1153496	475.583	CRYNBYLACAGICM-FQEVSTJZSA-N	00000010100000110101000000001010000000000000000000000000	31-01-146175
Cc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@H](C)Cc2ccc4c(c2)OCO4)CC3)cc1	PC-id_42434580,CoCoCo_1153497,ZINC22_12155989,CoCoCo_1153499	475.583	CRYNBYLACAGICM-HXUWFJFHSA-N	00000010100000110101000000001010000000000000000000000000	31-01-146176
CCc1ccc(o1)C(=O)NC(c1nnc2n1CCN(CC2)Cc1cc2c(o1)cccc2)CC(C)C	SCHEMBL18687222	475.583	YQTWOZONJBRWGX-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-146177
CC(CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1)Cc1ccc2OCOc2c1	PC-id_45174159,MCULE-6906239623,EMOLS-id_20416124	475.583	CRYNBYLACAGICM-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-146178
n12CCN(CCc1nnc2CCNC(=O)C1CCCO1)Cc1ccc(cc1)OCc1ccccc1	MCULE-2929339118,PC-id_45173111,EMOLS-id_20411584	475.583	CCGQDTGWKLMDGS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-146179
n12CCN(CCc1nnc2CCNC(=O)C1CCOCC1)Cc1cccc(c1)Oc1ccccc1	MCULE-5870637760,EMOLS-id_20470221,ZINC22_20450228,CoCoCo_1228797,ChEMBL-DNDi_CHEMBL22318093,CoCoCo_1228798,PC-id_28954110	475.583	WHEMJNUMVLKHTB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146180
O=C(NCCc1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2)[C@@H]1CCCO1	CoCoCo_1147151,PC-id_28309950,CoCoCo_1147153,ZINC22_19740767	475.583	CCGQDTGWKLMDGS-DEOSSOPVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-146181
O=C(NCCc1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2)[C@H]1CCCO1	PC-id_28309951,CoCoCo_1147150,ZINC22_19740769,CoCoCo_1147152	475.583	CCGQDTGWKLMDGS-XMMPIXPASA-N	00000010100000110101000000000010000000000000000000000000	31-01-146182
c1(NC(=O)CSc2nnc(Cn3c(C)ccn3)o2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_6590712,EMOLS-id_4156884,TIMTEC152886,MCULE-9686519930,ZINC22_2809527,PC-id_17023961	475.584	FQFPQKUKEYIJOY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146183
c1(NC(=O)CSc2nnc(Cn3ccc(C)n3)o2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_2805602,CoCoCo_6589284,EMOLS-id_4156888,PC-id_17023209,MCULE-4100044735	475.584	UZEKGMJCVXQQOI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146184
s1c(C[NH+]2CCn3c(nnc3CNC(=O)c3c(OC)cccc3)CC2)cnc1c1ccccc1	PC-id_26330011	475.586	XHUBLHUYFNXKEN-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-146185
CC(C)C1CCCCCc2c1nnn2CCn1c(c(nn1)COCCN=C(N)N)CCC(=O)O	PC-id_90261505,SCHEMBL15850362	475.588	UHNLCVUBUHUWII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146186
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_2084959,EMOLS-id_4156914,SPECS-id_AK-968/12383261,MCULE-9854666600,CHEMBL1317592,TIMTEC312984,PC-id_1743583,CoCoCo_1738567,CB6263175,ChEMBL-DNDi_CHEMBLF0834-0748	475.598	MMVZRVHDWWTJDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146187
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_2746048,SPECS-id_AK-968/12571183,TIMTEC460611,EMOLS-id_4156916,PC-id_3519980,MCULE-9049151397,CoCoCo_5819887	475.598	SVOCTXSUJHABKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146188
s1c2c(CCCCCC2)c(c1N(C(=O)Cc1ccccc1)C(=O)Cc1ccccc1)C(=O)OC	PC-id_22305612	475.599	WVZDVAQKIMISHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146189
CCOC(=O)c1c(NC=C2C(=O)N(C)C(=O)N(C)C2=O)sc2c1CCCCCCCCCC2	MCULE-4465947827,PC-id_5685191,CoCoCo_3787139,ZINC22_3315204,CoCoCo_3787138	475.601	VZKMMHNHXFDXHS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146190
CCOC(=O)c1c(sc2c1CCCCCCCCCC2)/N=C/c1c(n(c(=O)n(c1=O)C)C)O	PC-id_135466224	475.601	MRAHIRJQMYMXGD-MFKUBSTISA-N	00000000100000100101000000000010000000000000000000000000	31-01-146191
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C1CCN(CC1)C(=O)OC(C)(C)C)C)C#N	PC-id_55422962	475.601	MVWUZZHIQVDUGX-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-146192
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(C)c([N+](=O)[O-])c3)sc3c2CCCCCC3)c1	ZINC22_408972101	475.602	RVKSQCOVPHIYKQ-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-146193
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2sccc2)cc1	PC-id_41337092	475.604	CPJYHRJXEMZGNN-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-146194
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)C=Cc1sccc1)C(=O)OC	PC-id_5061419	475.604	NKHRGEDCVMJTIW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-146195
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)/C=C/c1sccc1)C(=O)OC	PC-id_6260792	475.604	NKHRGEDCVMJTIW-MDZDMXLPSA-N	00000000100100000101000000000010000000000000000000000000	31-01-146196
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)c1ccc(C(CC)C)cc1	PC-id_43059191	475.604	HXYYGCKYNHWYQN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146197
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N2CCCC2)cc1)C)COc1ccccc1	PC-id_74787446	475.606	ODIZPXAPFWCNNR-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-146198
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(N2CCCC2)cc1)c1ccc(OC)cc1	PC-id_42485357	475.606	ARDZQBIRGITTDB-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-146199
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(N2CCCC2)cc1)COc1ccccc1	PC-id_42166523	475.606	YHBUMEQQYACSFY-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-146200
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N2CCCC2)cc1)C)COc1ccccc1	PC-id_42277598	475.606	ODIZPXAPFWCNNR-OAQYLSRUSA-O	00000010100000110101100000000010000000000000000000000000	31-01-146201
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N2CCCC2)cc1)C)COc1ccccc1	PC-id_42277600	475.606	ODIZPXAPFWCNNR-NRFANRHFSA-O	00000010100000110101100000000010000000000000000000000000	31-01-146202
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)c1[nH]c2c(c1)cccc2)C#N	PC-id_56360526	475.606	XEMVKFNVFRMSAF-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-146203
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)c1[nH]c2c(c1)cccc2)C)C#N	PC-id_56361658	475.606	FNDBAUDLUCFPML-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-146204
S(CC(=O)N1CCc2c1cccc2)c1c(C(=O)NCCc2n3CCCCCc3nn2)cccc1	PC-id_55535040	475.606	MMMRCRWWKICNRB-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-146205
CCCCn1c(N)c(N(C(=O)CSc2nnc3n2CCCCC3)C2CCCC2)c(=O)[nH]c1=O	MCULE-1721177529,EMOLS-id_11764605,PC-id_16328450,ZINC22_13121384,CoCoCo_4054301,CoCoCo_4054302	475.608	AMLMNRRLOYWESE-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-146206
O=C(OC(C)(C)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)CCC(F)(F)F	PC-id_138671280	475.611	HTSNOKHQTQLVLZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146207
O=C(OC(C)(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)CCC(F)(F)F	SCHEMBL21041659	475.611	HTSNOKHQTQLVLZ-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146208
Fc1ccc(cc1)/C(=C/C(=C)c1ccc(cc1)C)/N(CC(=O)N1CCc2c(CC1)nc(s2)C)C	PC-id_145587908	475.621	NZGDZNZYGFBRLJ-ONUIUJJFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146209
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1sc2CCCCc2c1)CC)C(=O)OC	PC-id_23888346	475.621	CEIUSSCIWVKISZ-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-146210
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1sc2CCCCc2c1)C)C(=O)OCC	PC-id_24109872	475.621	VBLHDGPTVXNCJS-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-146211
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1sc2CCCCc2c1)C)C(=O)OC	PC-id_23916108	475.621	VRIRVLOSWRTCKK-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-146212
S(=O)(=O)(c1c2-c(c(c1)CCCCCS(=O)(=O)Nc1ccccc1)ccc(cc2)C(C)C)O	PC-id_44291597,CHEMBL1205051	475.621	VRCKXVQAPXCSEC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146213
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)sc2c(CCCCC2)c1C(=O)NC	PC-id_42388407,MCULE-6952282620,EMOLS-id_31745809,ZINC22_12064305	475.624	GYZZGHMGDDHMSY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146215
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)sc2c(CCCCC2)c1C(=O)N	CoCoCo_5015398,MCULE-7481432274,EMOLS-id_4948553,ZINC22_4177365,PC-id_4998899	475.624	UADPQVXQLSJPNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146216
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCN(CC1)C(=O)c1ccco1	CoCoCo_994585,Chemmine_18404,EMOLS-id_2317655,MCULE-3872823098,PC-id_1296830,ZINC22_1119940,TIMTEC406909	475.624	QNPVWJCOCVYFEP-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-146217
s1c2CCCCCc2cc1C(=O)NNC(=O)C(NC(=O)c1c(OC)cccc1)CCSC	PC-id_55349309	475.624	APNJEEDCMWLRBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146218
s1c2c(CCCCCC2)cc1C(=O)N1CCC(CC1)C(=O)Nc1ccc(S(=O)(=O)N)cc1	PC-id_51471488	475.624	HNWVRKOIRVIIQP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146219
S1(=O)(=O)CCN(CC1)C(c1ccccc1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_56514728	475.624	FYKOBYIRDCNWMT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146220
S(=O)(=O)(N1CC(CCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N	PC-id_23795446	475.624	XTESIBUNONWUMW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146221
S(=O)(=O)(N1C(CCCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N	PC-id_23993124	475.624	BOPDMZIANFZYJL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146222
S(=O)(=O)(N1CCC(CC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N	PC-id_24155523	475.624	DUTLIOZJLGZQCF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146223
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1ccc(cc1)C	PC-id_16862884	475.624	MHSWHCGFXNWYTP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146224
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1ccc(cc1)C	PC-id_41831562	475.624	WFXRTJOOZBNMAY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146225
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1ccc(cc1)C	PC-id_46656953	475.624	KLOQLYCMQVATQU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146226
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCCc2c1)c1ccccc1	PC-id_24409819	475.624	XHHGMBJNGFAWBF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146227
S(=O)(=O)(N1CCC(NC(=O)c2sc3c(CCCCC3)c2)CC1)c1ccc(NC(=O)C)cc1	PC-id_24611603	475.624	CCGKYXDCEPSCDX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146228
S(=O)(=O)(N(C1CCCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N	PC-id_43947327	475.624	LRBNOIODQDKSMI-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-146229
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3cccc(OC)c3)CCn12	EMOLS-id_20432073,PC-id_45177841,MCULE-5281014554	475.626	HOCROXDBMSALBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146230
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(CC(=Cc3ccco3)C)CCn12	PC-id_74494014,MCULE-6450639308	475.626	UYEQPNQQJGQRQV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-146231
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(cc3)c3ccccc3C)CCn12	PC-id_45929226,EMOLS-id_232709845,ChEMBL-DNDi_CHEMBL16037571,MCULE-3973898865	475.626	HAMFLRMTOJXKAB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146232
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(n(nc1C)C)C)C(=O)OC	PC-id_20176273	475.67	ITHPBGUJQXVGBM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146268
C/C(=Cc1ccco1)/CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1	CoCoCo_1200299,PC-id_26277225,ZINC22_14881614,CoCoCo_1200297	475.626	UYEQPNQQJGQRQV-MSMNXAATSA-N	00000000101000110101000000000010000000000000000000000000	31-01-146233
C/C(=Cc1ccco1)/CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1	PC-id_26277223,CoCoCo_1200295,ZINC22_14881613	475.626	UYEQPNQQJGQRQV-CUPKDKKMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-146234
CC(C)CC(NC(=O)c1cc(C)cc(C)c1)c1nnc2CCN(C/C(=C/c3ccco3)/C)CCn12	EMOLS-id_25993749,PC-id_45181957	475.626	UYEQPNQQJGQRQV-OQKWZONESA-N	00000000101000110101000000000010000000000000000000000000	31-01-146235
CC(C[C@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccco1)/C)NC(=O)c1cc(C)cc(c1)C)C	CoCoCo_1200293,CoCoCo_1200294,CoCoCo_1200292	475.626	UYEQPNQQJGQRQV-YPKVGQCMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-146236
CC(C[C@@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccco1)/C)NC(=O)c1cc(C)cc(c1)C)C	CoCoCo_1200296,CoCoCo_1200298	475.626	UYEQPNQQJGQRQV-BDPRQDHOSA-N	00000000101000110101000000000010000000000000000000000000	31-01-146237
COc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1	CoCoCo_1175461,ZINC22_12037806,PC-id_42369016,CoCoCo_1175460	475.626	HOCROXDBMSALBJ-VWLOTQADSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146238
COc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1	ZINC22_12037801,PC-id_42369011,CoCoCo_1175458,CoCoCo_1175459	475.626	HOCROXDBMSALBJ-RUZDIDTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-146239
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(c3ccccc3C)cc1)CC2	ZINC22_19836771	475.626	HAMFLRMTOJXKAB-VWLOTQADSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146240
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(c3ccccc3C)cc1)CC2	ZINC22_19836773	475.626	HAMFLRMTOJXKAB-RUZDIDTESA-N	00000000100000110101100000000010000000000000000000000000	31-01-146241
CCN1CCN(CC1)CCNC(=O)c1nn2c(c1)CC(=O)N(C(C2)(C)C(=O)NCCC(C)C)C	PC-id_143130540	475.627	MZJJNADFYVEHSM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146242
O=C(CSc1nnc2n1CCCCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	MCULE-4155308643,CoCoCo_4054322,EMOLS-id_43952071,PC-id_16367947,ZINC22_9595380	475.627	TTWKTCUKZRTTOT-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-146243
s1c2CCCCCCc2nc1NC(=O)CCc1n(c2c(n1)cc(S(=O)(=O)N(C)C)cc2)C	PC-id_60572068	475.627	VUVCBCWLIQUJQH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-146244
S(=O)(=O)(N1CCCCC1)c1cc2CCN(c2cc1)C(=O)CSc1n2CCCCCc2nn1	PC-id_24528209	475.627	MWCNXBMXQJYSTQ-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-146245
[O-]C(=O)CCC/C=C/1C[C@H]2[C@@H](C1)[C@H]([C@@H](C2)O)/C=C/[C@H](CCc1ccc2-c1cccc(c2)C(C)C)O	GD-id_ZINC26159798	475.639	WBDREHDVHQEEHI-LYTKHSLGSA-M	00000010100000000110000000000110000000000000000000000000	31-01-146246
[O-]C(=O)CCC/C=C/1C[C@@H]2[C@H](C1)[C@H]([C@@H](C2)O)/C=C/[C@H](CCc1ccc2-c1cccc(c2)C(C)C)O	GD-id_ZINC26159820	475.639	WBDREHDVHQEEHI-GVFQLSILSA-M	00000010100000000110000000000110000000000000000000000000	31-01-146247
c1(NC(=O)C2CC=CCC2C(=O)O)sc2c(CCCCCCCCCCC2)c1C(=O)OCC	SPECS-id_AK-968/41923727,TIMTEC413489,PC-id_4080908,MCULE-9285210586,EMOLS-id_4156981	475.641	QUYLVXZCCZSRQF-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-146248
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2	CoCoCo_6813933,ZINC22_8455308,PC-id_40737804	475.641	QUYLVXZCCZSRQF-RBUKOAKNSA-N	00000000100011000100000000000010000000000000000000000000	31-01-146249
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	PC-id_40737800,ZINC22_8455306,CoCoCo_6813934	475.641	QUYLVXZCCZSRQF-OALUTQOASA-N	00000000100011000100000000000010000000000000000000000000	31-01-146250
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_8455305,CoCoCo_6813932,PC-id_40737798	475.641	QUYLVXZCCZSRQF-MOPGFXCFSA-N	00000000100011000100000000000010000000000000000000000000	31-01-146251
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_8455307,CoCoCo_6813935,PC-id_40737802	475.641	QUYLVXZCCZSRQF-RTBURBONSA-N	00000000100011000100000000000010000000000000000000000000	31-01-146252
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccc(F)cc1)C(=O)OCC	PC-id_20175946	475.642	GBQHQFIQCRDIIG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146253
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1cc(F)ccc1)C(=O)OCC	PC-id_20175829	475.642	FXRGVEMINSRABM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146254
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(F)cc1)C(=O)OCC	PC-id_19654410	475.642	WIDUJTVULIFNQK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146255
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(F)cccc1)C(=O)OCC	PC-id_19654941	475.642	KBPYQLVPTWBJKN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146256
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccc(F)cc1)C(=O)OC	PC-id_20175939	475.642	GTMBLYLSQDJYRM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146257
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1cc(F)ccc1)C(=O)OC	PC-id_20175822	475.642	ZREPTDGNQUOUOF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146258
c1(NC(=O)CSc2ncnc3sc(C)c(C)c23)sc2c(CCCCC2)c1C(=O)OCC	MCULE-8713960576,SPECS-id_AF-399/40923344,CoCoCo_1817922,ZINC22_1802714,EMOLS-id_3063300,PC-id_1587473	475.647	AZUVJRIJCGHPFL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-146259
CCN(c1ccc(cc1)C[N@@H+]1CCc2n(CC1)c(nn2)[C@H](NC(=O)CCc1ccccc1)C)CC	GD-id_ZINC12247211,PC-id_42484565	475.649	GUIFLZCICLUFTO-JOCHJYFZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146260
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1)C)CCc1ccccc1	PC-id_74807684	475.649	GUIFLZCICLUFTO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146261
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1)C)CCc1ccccc1	PC-id_42484566	475.649	GUIFLZCICLUFTO-QFIPXVFZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146262
CCC(=O)N(c1nnc(s1)SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C)C1CC1	PC-id_16336207,EMOLS-id_43974487,MCULE-3162162401	475.65	LVCRLGPFFDHGGG-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-146263
CCC(=O)N(c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1)C1CC1	CoCoCo_4183129,ZINC22_9580107,PC-id_41132400	475.65	LVCRLGPFFDHGGG-GFCCVEGCSA-N	00100000100000000101000000000010000000000000000000000000	31-01-146264
CCC(=O)N(c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1)C1CC1	PC-id_41132399,CoCoCo_4183128,ZINC22_9580105	475.65	LVCRLGPFFDHGGG-LBPRGKRZSA-N	00100000100000000101000000000010000000000000000000000000	31-01-146265
CCS(=O)c1ccc(nc1)CNC(=O)c1cc2c(s1)CCCN(CCOC[C@H]2C)C(=C)C	PC-id_142419366	475.667	XKEMPNINVGWJLS-DTWMZXIHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-146266
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(n(nc1)CC)C)C(=O)OC	PC-id_20176184	475.67	BDLLJMLAHXTBFZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146267
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(nn(c1)CC)C)C(=O)OC	PC-id_20176338	475.67	HLIGGVJEYYXHGR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146269
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(nn(c1)C)C)C(=O)OCC	PC-id_20176010	475.67	DUQORRSBLOEYPC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146270
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(n(nc1)C)C)C(=O)OCC	PC-id_20176100	475.67	CYZZAMJKUGBESF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146271
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(nn(c1)C)C)C(=O)OC	PC-id_20176003	475.67	ABODQQGMHGDXQO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146272
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(n(nc1)C)C)C(=O)OC	PC-id_20176093	475.67	GQIVVEUNMQMCST-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146273
CC(c1ccc(cc1)N(C(=O)C1CCCCc2c1c(C)sc2C)Cc1ccc(nc1)N(C)C)C	PC-id_140052667	475.689	URANYJGWIXGISF-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-146274
Clc1ccc(NCc2n3c([n+](n2)CC(=O)c2ccccc2)CCCCC3)cc1.[Br-]	CHEMBL1419211	475.809	IFMSRFZVQGKSGE-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-146275
Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2sc3c(c2C(=O)N)CCCCC3)c1Cl	PC-id_17117858,ZINC22_8901453	475.816	MAQAQLSUZLJMFI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146276
Clc1cc(c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)cc1)C(=O)c1ccccc1	PC-id_19527316	475.891	KYTZIUPIBFORTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146277
CCOc1ccc(c(c1F)CNC(=O)OCCCCn1ccc2c1C=C=C(C=C2N=C)Cl)F	SCHEMBL19575713	475.915	NWSZZWXSKSYOKU-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-146278
Clc1c(cc(NC(=O)CN(C(=O)CSc2n3CCCCCc3nn2)C)cc1)C(F)(F)F	PC-id_24371233	475.916	CYPABDODQIKJQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146279
Clc1cc(C(=O)N2CCCCc3sccc23)ccc1CNC(=O)Nc1c(F)cccc1F	PC-id_21083261,SCHEMBL5228620	475.939	RFCJZRUQRKLHFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146280
c12C(=O)N(CCCn1nc(C(=O)NCCc1c[nH]c3ccc(Cl)cc13)c2)Cc1ccc(cc1)C	EMOLS-id_32632812,PC-id_53012864,MCULE-5586297770	475.97	FDGQUSXINJVRSD-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-146281
Clc1ccc(c2oc(CN3CCn4c(nnc4CNC(=O)Cc4ccccc4)CC3)cc2)cc1	CoCoCo_1259713,PC-id_29085749,CoCoCo_1259712	475.97	LIWAQVIXDMSXMF-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-146282
Clc1ccccc1c1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)o1	PC-id_26277390,EMOLS-id_20450317,CoCoCo_1200767,CoCoCo_1200766,ZINC22_14881746,MCULE-6195827708	475.97	KVOGEDMRJZXAJG-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-146283
Cn1ccc(n1)NCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1cc(ccc1)Cl	PC-id_134805940	475.973	XXTLGIJLUMHUQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146284
OCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)Cl)C(=O)O)C	PC-id_139605621	475.985	UUVZJTZYIWVDRY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146285
CN(Sc1c(Cl)ccc(c1O)NC1=C(C(=O)C1=O)NC1c2ccoc2CCCC1(C)C)C	PC-id_142531858	475.988	RIFHZRIKRUTRKX-UHFFFAOYSA-N	00000100100000110100000000000010000000000000000000000000	31-01-146286
COC(=O)C1CCCN1C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2c1ccs2	PC-id_142197453	475.988	JJWLDEFUPXHVMR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-146287
Clc1c(CN2CCn3c(nnc3CC2)[C@@H](NC(=O)C2CC[NH+](CC2)C)C)cc2OCOc2c1	GD-id_ZINC20453262,PC-id_28956207	475.992	HKJVRLXQSDSFTN-HNNXBMFYSA-O	00000010100010100101000000001010000000000000000000000000	31-01-146288
Clc1c(CN2CCn3c(nnc3CC2)[C@H](NC(=O)C2CC[NH+](CC2)C)C)cc2OCOc2c1	PC-id_28956205,GD-id_ZINC20453260	475.992	HKJVRLXQSDSFTN-OAHLLOKOSA-O	00000010100010100101000000001010000000000000000000000000	31-01-146289
Clc1c(CN2CCn3c(nnc3CC2)C(NC(=O)C2CC[NH+](CC2)C)C)cc2OCOc2c1	PC-id_74576186	475.992	HKJVRLXQSDSFTN-UHFFFAOYSA-O	00000010100010100101000000001010000000000000000000000000	31-01-146290
Clc1ccc(S(=O)(=O)NCCCCc2c3-c(c([14cH]2)C(=O)OC)ccc(C(C)C)cc3)cc1	PC-id_10322731	476.005	XCDRPQMCNAKMRO-VPMSBSONSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146291
Clc1ccc(OCc2cc(sc2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_19503329	476.008	DWPOGDFZCOBYMW-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-146292
Clc1cc(OCc2cc(sc2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_19505181	476.008	NIPUSGWGSHVHTC-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-146293
Clc1c(OCc2cc(sc2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1	PC-id_19503083	476.008	SLJRYHXMLVZLMT-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-146294
Clc1ccc(OCc2scc(n2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_55445830	476.011	DZLVSGMFTANJKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146295
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)nc2)cc1	PC-id_20178613	476.015	FVNNZQWXSVKFIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146296
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)nc2)ccc1	PC-id_20179153	476.015	QWLIWUCFKHSDFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146297
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)nc2)cccc1	PC-id_20178700	476.015	LBJWCQDKMJYDTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146298
CCN(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(Cl)cc([nH]c1=O)C)C1CCC(=O)CC1	SCHEMBL18610796	476.031	IBXQEXXNCIIASD-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-146299
Clc1ccc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_22195797	476.031	RPDHKYBTIPMLBM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146300
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_22195222	476.031	YAEGLSUPJPYRPC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146301
Clc1ccc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_22198513	476.031	BFKICIPHBXHIGI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146302
Clc1ccc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_22198455	476.031	MNVWNIIVGHHKHE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146303
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(cc1)C	PC-id_22199256	476.031	FVQCRLOCLAQAOU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146304
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1	PC-id_22194648	476.031	BRNYIAAMYWROCM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146305
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_22198690	476.031	YQOKKEGBERTTST-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146306
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_22198663	476.031	UEGVRNJJZUAQKM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146307
Clc1c(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cccc1	PC-id_46203148	476.031	MGHSICXMWGOUPF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146308
O=C(CSc1nnc2n1CCCCC2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC22_9605902,PC-id_16350639,CoCoCo_4054306,MCULE-5957321523,EMOLS-id_11795619	476.036	WMMYRCVSHSDXLU-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-146309
CC(C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)(C(F)(F)F)O	PC-id_155062056	476.078	YPYFPHAZQSXWJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146310
CC([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)(C(F)(F)F)O	PC-id_155061983	476.078	YPYFPHAZQSXWJA-FWJOYPJLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146311
C[C@@]([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)(C(F)(F)F)O	PC-id_155257997	476.078	YPYFPHAZQSXWJA-SUMWQHHRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146312
CC1=C(N2CCCC=CC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=NC=C3)Cl	PC-id_155278818	476.09	TUQOJZDROJXKDL-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-146313
CC(C)(C#CC(C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)O	PC-id_154682242	476.117	XCAQJVHGMAGXQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146314
CC(C)(C#CC([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)O	PC-id_154682073	476.117	XCAQJVHGMAGXQI-AAFJCEBUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146315
CC(C)(C#CC([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)O	PC-id_155258041	476.117	XCAQJVHGMAGXQI-VYRBHSGPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146316
CC(C)(C#C[C@@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)O	PC-id_154682102	476.117	XCAQJVHGMAGXQI-CVEARBPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146317
CC(C)(C#C[C@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)O	PC-id_154682152	476.117	XCAQJVHGMAGXQI-HZPDHXFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146318
CC(C)(C#C[C@@H]([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)O	PC-id_155258034	476.117	XCAQJVHGMAGXQI-HOTGVXAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146319
CC(C)(C#C[C@H]([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)O	PC-id_155258035	476.117	XCAQJVHGMAGXQI-JKSUJKDBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146320
CC(C)OC(C1=CN(CC(C2=C1SC(=N2)C(F)(F)F)(C)C)C(=O)C3=CC(=C(C=C3)F)F)O	PC-id_155203822	476.119	FKRLTJVLFPFCKA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-146321
CC1(CNc2cn(c(c2C(N(N1)C)O)Sc1ccccc1)Cc1ccc(cc1)C(F)(F)F)C	PC-id_163750328	476.186	LPLDNVAFNLQJJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146322
CC(C)(C)OC(=O)CCC1CCCCC2=C([C@H](CC1)N[S@](=O)C(C)(C)C)N=C(S2)Cl	PC-id_155179941	476.193	DHMWTPWSTWXUNP-VSGKEVFHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146323
CC(C)(C)OC(=O)CCC1CCCCC2=C([C@@H](CC1)N[S@](=O)C(C)(C)C)N=C(S2)Cl	PC-id_155180036	476.193	DHMWTPWSTWXUNP-KNTSRGLNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146324
CC1=C2C(=C(N1)C(NC3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OC)O)CCCCC2=O	PC-id_154950582	476.209	OCTGCELXTZXPHE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146325
CCOC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)C4=CC=CC=C4C(F)F	PC-id_162230953	476.231	ICUXIRHBWCGZLV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146326
Brc1c(n(nc1C)CCCNC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)C	PC-id_19523789	476.334	LPUOZRGJZPIMHI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146327
C1Cn2c(c(c(n2)C(=C[N+]#N)[O-])C(F)(F)F)C[N+](C1)(C(=O)OCc1ccccc1)C(F)(F)F	SCHEMBL16100480,PC-id_90461106	476.352	ZCYZMSSYDWSJMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146328
C1CN(C(c2c(c(nn2C1)C(=C[N+]#N)O)C(F)(F)F)Cc1ccccc1)C(=O)OC(F)(F)F	PC-id_90461105	476.352	RHPYJQJDNVRPFS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146329
Brc1n2c(CN(CCC2)C)c(n1)C(=O)NC(C(C)(C)C)C(=O)N1CC(F)(F)CC1	SCHEMBL4121966,PC-id_68920919	476.359	ZDLLOOHYHURIOO-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-146330
Brc1n2c(CN(CCC2)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)N1CC(F)(F)CC1	PC-id_57737041,SCHEMBL4121961	476.359	ZDLLOOHYHURIOO-CQSZACIVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-146331
Bc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CC(CN1CCOCC1)(O)C)/C(=O)N2	SCHEMBL13480217	476.376	MKICJUQLOMGNDQ-UYRXBGFRSA-N	00000010100010100101000000001010000000000000000000000000	31-01-146332
Brc1ccc(NC(=O)CN(CC(=O)Nc2sc3CCCCCc3c2C#N)C)nc1	PC-id_56482544	476.39	ORXFDHABEOMPSV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-146333
C1Cn2cc(nc2OCCN1Cc1cnc(cc1)C(=O)Nc1cccc(c1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14965964,PC-id_89580303	476.409	AMMUPTYWHAZUSX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146334
Brc1c(OCCCC(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cccc1	PC-id_46483151	476.41	JUAGQCFKJLNBJZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146335
CCOC(=O)c1cn(c2c1C(=O)C(CCC2)[Se]c1ccccc1)C(=O)OC(C)(C)C	SCHEMBL6495890,PC-id_20762224	476.424	DUUJTBMNPVPKNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146336
Fc1ccc(c(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)C(=O)N1CCCC(=O)c2c1ccs2	PC-id_57257011,SCHEMBL6988903	476.443	LHSBNUFPUFMRRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146337
Clc1c(S(=O)(=O)N2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)cccc1Cl	PC-id_27076026	476.444	OWUNMGFSFXNZFO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146338
Clc1c(S(=O)(=O)N2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)cc(Cl)cc1	PC-id_27074671	476.444	YBSXKPMVBZTQRX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146339
Clc1c(S(=O)(=O)N2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)c(Cl)ccc1	PC-id_27086744	476.444	SYNNFQRWKUJZKU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146340
O=C1C(CCn2c(N1C)cc(n2)CNCC(F)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL19641572	476.455	NMHPGUXXHNFMFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146341
O=C1[C@H](CCn2c(N1C)cc(n2)CNCC(F)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367340	476.455	NMHPGUXXHNFMFP-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146342
c1(c(cc(cc1C)C)C)B(c1c(cc(cc1C)C)C)c1ccc(cc1)C#Cc1cc2-c(ccccc2)c1	PC-id_139039960,CT-id_1507186	476.458	ZLJFJHWQLGPQKZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146343
N#Cc1c(NC(=O)COC(=O)Cn2c(C(F)(F)F)nc3ccccc23)sc2c1CCCCC2	MCULE-2847624549,PC-id_4438348,CoCoCo_3123924,ZINC22_9441597,EMOLS-id_3415540	476.471	QEVXRTLIJYOGBX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-146344
FC(F)(F)c1c(C[NH+]2CCn3c(nnc3CCNC(=O)Cc3ccc(F)cc3)CC2)cccc1	PC-id_42433657	476.49	PHZZQANNPOUGTO-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146345
Cc1c(cc(cc1)NC(=C)Nc1cccc(c1)C(F)(F)F)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478332	476.493	KWZCWTFMTXOCJX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146346
C=C(Nc1cccc(c1)C(F)(F)F)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077208	476.493	KWZCWTFMTXOCJX-KBVAKVRCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146347
s1c2c(CCCCC2)c(c1NC(=O)c1noc(c1COc1c(F)cc(F)cc1)C)C(=O)OC	PC-id_19483920	476.493	PHDMBLZSRLSMEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146348
s1c2CCCCCc2c(c1NC(=O)COC(=O)C=Cc1cc(OC)c(OC(F)F)cc1)C#N	PC-id_3890544	476.493	VWDIDJVCHSYLJD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146349
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC(F)F)cc1)C#N	PC-id_5948555	476.493	VWDIDJVCHSYLJD-CSKARUKUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146350
Cc1cccc(n1)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353485	476.496	HMCVJIUYNMKTMI-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146351
COCOC(c1ccccn1)C1COc2c(SN1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL21337107,PC-id_139471111	476.496	PTQRUJCTHFKBCY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146352
Fc1cc(C(=O)NCc2n3CCN(CCc3nn2)C(=O)c2cc(N3CCCC3=O)ccc2)ccc1	PC-id_42417770	476.503	MDQWZZSUEYFLER-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-146353
CCOC(=O)c1c(nc2-c1ccccc2)N=P(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_101383115	476.505	NDMDVGVWTYDJGZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146354
CC1=CN=C(c2c(CC1)sc(c2)C(=O)OOC)Nc1c(cc(cc1O)F)OC1CCOCC1	PC-id_91090399	476.518	UPKODBXDNFBNRL-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-146355
CC(C)n1c2c(CCCN(CCCC2=O)C(=O)c2cc(=O)[nH]c(c2)c2cc(ccc2)C(=O)O)cn1	PC-id_134602649,SCHEMBL20256986	476.524	KEICZSZCWGVOJP-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-146356
c1(coc2CCCC(=O)c12)C(=O)N1CCn2c(CC1)nnc2C(C(C)C)NC(=O)c1ccccn1	EMOLS-id_20627491,PC-id_45223081,MCULE-3472980287	476.528	ZGWARXYUFBSHQS-UHFFFAOYSA-N	00000000100010101101000000010010000000000000000000000000	31-01-146357
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)c1coc3c1C(=O)CCC3)CC2	CoCoCo_1459428,ZINC22_12049603	476.528	ZGWARXYUFBSHQS-JOCHJYFZSA-N	00000000100010101101000000010010000000000000000000000000	31-01-146358
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)c1coc3c1C(=O)CCC3)CC2	ZINC22_12049605,CoCoCo_1459427	476.528	ZGWARXYUFBSHQS-QFIPXVFZSA-N	00000000100010101101000000010010000000000000000000000000	31-01-146359
O=C(Cn1cnc2c1C(=O)NNCCN2)Nc1ccc(cc1)Oc1ccc(cc1)OC1CCCC1	PC-id_143900881	476.528	ZWCQAODANGSUTA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-146360
CC1CCC(=O)c2c(N(C(=O)C1)C)nc(n2Cc1ccc(cc1)C(F)(F)F)NC1CCCCC1	PC-id_143302397	476.534	UJPGZUJLBPYEJH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146361
CC(C)(C)C(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86267308	476.534	ZWOLSGYVGPSGHA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146362
CC(C)CC(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20695083,PC-id_137455812	476.534	LKSYVBRDJJFBMS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146363
s1c2c(CCCCC2)c(c1NC(=O)C1CCN(CC1)C(=O)c1c(F)cc(F)cc1)C(=O)OC	PC-id_55763204	476.536	WQXPKDQZNRPEPD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146364
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)c1sccc1	PC-id_19527754	476.536	IWNGBTWFUNXTRU-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-146365
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1n(CCN(CC)CC)c2c(n1)cccc2	PC-id_19527305	476.538	KZSJZVHFAFTOGM-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-146366
CCOC(=O)c1c(NCC(c2ccc(cc2F)F)(Cn2cncn2)O)sc2c1CCCCC2	PC-id_67234312,SCHEMBL1976101	476.539	JTCRSQPAVXPKQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146367
CCOC(=O)c1sc(c2c1CCCC(C2=O)C(OCC)OCC)Oc1ccc2c(c1)OCO2	PC-id_70033596,SCHEMBL7248688	476.539	JLPYAXKIRWWNFQ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-146368
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc(c2c1nc(cc2C(F)F)C)C)C(=O)OCC	PC-id_19497409	476.539	QXKKGWVAFNFUBZ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-146369
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1c(c([nH]c1C)C(=O)OCC)C)C(=O)OC	PC-id_3933306	476.543	ZIDBVTMTXSVDQI-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-146370
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1[nH]c(c(c1C)C(=O)OCC)C)C(=O)OC	PC-id_3459472	476.543	HSRPGXDPJYPUGD-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-146371
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CN1C(=O)C2C(CCCC2)C1=O)C(=O)OC	PC-id_3393497	476.543	PIARSSJPTFAYRF-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-146372
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1cc(ccc1)F)nn2)C	PC-id_134828926	476.544	XUUGCRWONVCBLX-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146373
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1cc(ccc1)F)nn2)C	PC-id_134828929	476.544	XUUGCRWONVCBLX-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146374
C[C@@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1ccccc1F)nn2)C	PC-id_134828948	476.544	LRWJKMLXGANRMK-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146375
C[C@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1ccccc1F)nn2)C	PC-id_134828957	476.544	LRWJKMLXGANRMK-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146376
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1ccc(cc1)F)nn2)C	PC-id_134828985	476.544	SLQDZPLYGHREFO-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146377
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1ccccc1F)nn2)C	PC-id_134828995	476.544	LRWJKMLXGANRMK-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146378
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1ccc(cc1)F)nn2)C	PC-id_134829000	476.544	SLQDZPLYGHREFO-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146379
C[C@@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1cc(ccc1)F)nn2)C	PC-id_134829002	476.544	XUUGCRWONVCBLX-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146380
C[C@H]1CN(C(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1ccc(cc1)F)nn2)[C@H](C)CO	PC-id_134829012	476.544	IBNJZESYQXVKKB-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146381
Fc1ccc(NC(=O)N(CC2OCc3n(nnc3)CCCC(=O)N(CC2C)C(CO)C)C)cc1	PC-id_75036334	476.544	JREWSGKLNJRHPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146382
Fc1ccc(NC(=O)N(CC2OCc3nnn(CCCC(=O)N(CC2C)C(CO)C)c3)C)cc1	PC-id_75036338	476.544	IBNJZESYQXVKKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146383
Fc1ccc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cc1	PC-id_44505411	476.544	JREWSGKLNJRHPT-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146384
Fc1ccc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cc1	PC-id_44505418	476.544	JREWSGKLNJRHPT-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146385
Fc1ccc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cc1	PC-id_44505420	476.544	JREWSGKLNJRHPT-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146386
Fc1ccc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cc1	PC-id_44505425	476.544	JREWSGKLNJRHPT-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146387
Fc1ccc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cc1	PC-id_44505426	476.544	JREWSGKLNJRHPT-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146388
Fc1ccc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cc1	PC-id_44506009	476.544	JREWSGKLNJRHPT-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146389
Fc1ccc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cc1	PC-id_44506010	476.544	JREWSGKLNJRHPT-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146390
Fc1ccc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cc1	PC-id_44506012,CHEMBL1869487	476.544	JREWSGKLNJRHPT-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146391
Fc1ccc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cc1	CHEBI:96763,PC-id_44505594	476.544	IBNJZESYQXVKKB-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146392
Fc1ccc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cc1	CHEBI:96785,PC-id_44505792	476.544	IBNJZESYQXVKKB-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146393
Fc1ccc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cc1	PC-id_44505416	476.544	IBNJZESYQXVKKB-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146394
Fc1ccc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cc1	PC-id_44505596,CHEBI:96952	476.544	IBNJZESYQXVKKB-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146395
Fc1ccc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cc1	PC-id_44505599,CHEBI:96841	476.544	IBNJZESYQXVKKB-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146396
Fc1ccc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)cc1	PC-id_44505796,CHEBI:96754	476.544	IBNJZESYQXVKKB-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146397
Fc1ccc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cc1	PC-id_44505800,CHEBI:96779	476.544	IBNJZESYQXVKKB-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146398
Fc1cc(NC(=O)N(CC2OCc3n(nnc3)CCCC(=O)N(CC2C)C(CO)C)C)ccc1	PC-id_75036345	476.544	XWDPBYWAFGHHCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146399
Fc1cc(NC(=O)N(CC2OCc3nnn(CCCC(=O)N(CC2C)C(CO)C)c3)C)ccc1	PC-id_75036259	476.544	VTXUSJLMEZRIOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146400
Fc1cc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)ccc1	PC-id_44505444	476.544	XWDPBYWAFGHHCX-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146401
Fc1cc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)ccc1	PC-id_44505446	476.544	XWDPBYWAFGHHCX-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146402
Fc1cc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)ccc1	PC-id_44505447	476.544	XWDPBYWAFGHHCX-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146403
Fc1cc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)ccc1	PC-id_44505452	476.544	XWDPBYWAFGHHCX-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146404
Fc1cc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)ccc1	PC-id_44506024	476.544	XWDPBYWAFGHHCX-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146405
Fc1cc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)ccc1	PC-id_44506029,CHEBI:113503	476.544	XWDPBYWAFGHHCX-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146406
Fc1cc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)ccc1	PC-id_44506031	476.544	XWDPBYWAFGHHCX-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146407
Fc1cc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)ccc1	PC-id_44506032	476.544	XWDPBYWAFGHHCX-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146408
Fc1cc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)ccc1	CHEBI:113355,PC-id_44505448	476.544	VTXUSJLMEZRIOV-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146409
Fc1cc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)ccc1	CHEBI:96143,PC-id_44505849	476.544	VTXUSJLMEZRIOV-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146410
Fc1cc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)ccc1	CHEBI:96954,PC-id_44505622	476.544	VTXUSJLMEZRIOV-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146411
Fc1cc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)ccc1	PC-id_44505205,CHEBI:117593	476.544	VTXUSJLMEZRIOV-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146412
Fc1cc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)ccc1	PC-id_44505615,CHEBI:96570	476.544	VTXUSJLMEZRIOV-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146413
Fc1cc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)ccc1	PC-id_44505616,CHEBI:96303	476.544	VTXUSJLMEZRIOV-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146414
Fc1cc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)ccc1	PC-id_44505619,CHEBI:96253	476.544	VTXUSJLMEZRIOV-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146415
Fc1cc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)ccc1	PC-id_44505846,CHEBI:96835	476.544	VTXUSJLMEZRIOV-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146416
Fc1c(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cccc1	CHEBI:112496,PC-id_44494937	476.544	HYXYHDZNHQRBPW-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146417
Fc1c(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cccc1	CHEBI:112542,PC-id_44495437	476.544	HYXYHDZNHQRBPW-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146418
Fc1c(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cccc1	CHEBI:112584,PC-id_44494077	476.544	HYXYHDZNHQRBPW-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146419
Fc1c(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cccc1	CHEBI:112624,PC-id_44492580	476.544	HYXYHDZNHQRBPW-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146420
Fc1c(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cccc1	CHEBI:112634,PC-id_44493070	476.544	HYXYHDZNHQRBPW-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146421
Fc1c(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cccc1	CHEBI:112654,PC-id_44493071	476.544	HYXYHDZNHQRBPW-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146422
Fc1c(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cccc1	PC-id_44493579,CHEBI:112602	476.544	HYXYHDZNHQRBPW-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146423
Fc1c(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cccc1	PC-id_44495962,CHEBI:112656	476.544	HYXYHDZNHQRBPW-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146424
Fc1c(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)cccc1	CHEBI:110529,PC-id_44489809	476.544	UGDLKAPALXLDHQ-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146425
Fc1c(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cccc1	CHEBI:113271,PC-id_44488161	476.544	UGDLKAPALXLDHQ-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146426
Fc1c(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cccc1	CHEBI:96330,PC-id_44491457	476.544	UGDLKAPALXLDHQ-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146427
Fc1c(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cccc1	CHEBI:96758,PC-id_44491455	476.544	UGDLKAPALXLDHQ-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146428
Fc1c(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cccc1	PC-id_44483913	476.544	UGDLKAPALXLDHQ-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146429
Fc1c(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cccc1	PC-id_44489270,CHEBI:95575	476.544	UGDLKAPALXLDHQ-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146430
Fc1c(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cccc1	PC-id_44491456,CHEBI:96970	476.544	UGDLKAPALXLDHQ-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146431
Fc1c(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)cccc1	PC-id_44492058	476.544	UGDLKAPALXLDHQ-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146432
CC(CC(C(=O)NC1Cc2ncc(o2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730733,SCHEMBL21109891	476.546	AQPIGUNHSCECLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146433
CC(CC(C(=O)NC1CCc2coc(n2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730192,SCHEMBL21109343	476.546	XZCTVIFDSLYKGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146434
CC(C(C(=O)NC1Cc2coc(n2)CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731235,SCHEMBL21110395	476.546	CNFRFWQKUWEPNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146435
CC(C(C(=O)NC1CCc2noc(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730929,SCHEMBL21110087	476.546	OQSAMCPRIPYSLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146436
CC(C(C(=O)NC1CCCc2noc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109535,PC-id_138730381	476.546	PGDCCOUFWJRNID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146437
COc1c(cc(cc1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2c(s1)C=C=C(CC2)N)OC	PC-id_90291368,SCHEMBL15888435	476.547	XXEFEALJTSTKDL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-146438
COc1c(cc(cc1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2c(s1)C=CC(=N)CC2)OC	PC-id_136493943	476.547	ACPWKMPDAXNPIL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-146439
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1nn(c(cc1=O)C)c1ccccc1)C)C#N	PC-id_55425542	476.547	LMWHFRQHFYNIDT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146440
S(=O)(=O)(N1CCC(CC1)C(=O)NCc1n2CCCCCc2nn1)c1c(ccc([N+](=O)[O-])c1)C	PC-id_24676659	476.549	DBVSKVBFZQGEFK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146441
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(ccc1)C(F)(F)F)C#N	PC-id_22199156	476.558	NAIAFHFEBZELEG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146442
CCOc1ccc(cc1)C[C@@H](C(=O)NC)NC(=O)[C@@H](CC(=O)O)CCc1ccc2-c1ccccc2	SCHEMBL8483310,PC-id_18395252	476.564	IIGCGVDBLSZWAD-RDGATRHJSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146443
Cn1ccc2c1C(CCN(S2(=O)=O)CCCN1CCC(CC1)C(=O)c1ccc(cc1)F)N=O	PC-id_91512399	476.564	KYPAQPPMFSRHFS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146444
CN(c1nc(Nc2ccc(c(c2)F)F)cc(n1)N1CCCCC1)CCc1c[nH]c2c1CC=CC=C2	PC-id_142159319	476.564	IGUCPDZHHQLASJ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-146445
O=C(NC(Cc1ccc(OCC)cc1)C(=O)NC)C(CCc1c2-c(cc1)ccccc2)CC(=O)O	PC-id_19606541	476.564	IIGCGVDBLSZWAD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146446
O/N=C/1CCN(S(=O)(=O)c2c1n(C)cc2)CCCN1CCC(CC1)C(=O)c1ccc(cc1)F	SCHEMBL5851791	476.564	IUDXVQKIJJWFAF-LKUDQCMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-146447
ON=C1CCN(S(=O)(=O)c2c1n(C)cc2)CCCN1CCC(CC1)C(=O)c1ccc(cc1)F	SCHEMBL5851793,PC-id_22065894	476.564	IUDXVQKIJJWFAF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146448
S1(=O)(=O)N(CCCN2CCC(CC2)C(=O)c2ccc(F)cc2)CC/C(=N/O)/c2n(ccc12)C	PC-id_9934696	476.564	IUDXVQKIJJWFAF-QQTULTPQSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146449
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)OC)C(=O)OC)C(=O)OC	PC-id_20414535	476.566	LQWSZOSHEKAAKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146450
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(=O)OC)C(=O)OC)C(=O)OC	PC-id_20414612	476.566	HBWGOESDYUERLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146451
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(c(OCC)c1)OCC)c2)Cc1ccccc1	PC-id_20964714,MCULE-4980295485,EMOLS-id_16324626,CoCoCo_2544511	476.567	IAODXSMCRNUULK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146452
COc1cc(ccc1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CC1CCOCC1	PC-id_134806257	476.567	ZJXXYOFGPNTQJP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146453
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4cnc(s4)c4ccccc4)CCn23)c1	MCULE-8712298726,PC-id_26324716,CoCoCo_1452470,ZINC22_14964663,CoCoCo_1452469,EMOLS-id_20622927	476.569	AQSAYNHZXJNREN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146454
N#C/C(=C/c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3456384,PC-id_75460354	476.569	JDVGUNBXMMVELI-ITYLOYPMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146455
N#CC(=Cc1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)c1nnc2n1CCCCC2	PC-id_4397360,EMOLS-id_26092901,MCULE-2694947398	476.569	JDVGUNBXMMVELI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146456
N#C/C(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)/c1nnc2n1CCCCC2	CHEMBL4522239,PC-id_6089627,CoCoCo_3456383	476.569	JDVGUNBXMMVELI-NLRVBDNBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146457
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc(cc3)C(=O)OC)CCn12	EMOLS-id_232741201,PC-id_45207213,MCULE-4634882740	476.571	WJDDMIIBVLDZGX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146458
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(CC=Cc3ccc(c(OC)c3)O)CCn12	PC-id_74779902,MCULE-8209144027	476.571	YTLQFPPMLHTMAE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146459
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(C(=O)c2ccc[n+]([O-])c2)CC3)c1	CoCoCo_1332113,ZINC22_12023999,PC-id_42358278	476.571	ZTQNXBAZAUEKAX-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146460
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(C(=O)c2ccc[n+]([O-])c2)CC3)c1	ZINC22_12024004,PC-id_42358282,CoCoCo_1332112	476.571	ZTQNXBAZAUEKAX-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146461
CC(C)CC(NC(=O)c1cc(C)cc(C)c1)c1nnc2CCN(CCn12)C(=O)c1ccc[n+]([O-])c1	EMOLS-id_20542063,ChEMBL-DNDi_CHEMBL36642248,PC-id_45203109	476.571	ZTQNXBAZAUEKAX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146462
CC(CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1)Cc1ccc2OCOc2c1	PC-id_45242707,EMOLS-id_20708765,MCULE-1678998471,ChEMBL-DNDi_CHEMBL84181172	476.571	GHDPUIVUDZCHNW-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-146463
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	CoCoCo_1583683,CoCoCo_1583681,ZINC22_14990399,PC-id_26345120	476.571	GHDPUIVUDZCHNW-IBGZPJMESA-N	00000010100000101101000000001010000000000000000000000000	31-01-146464
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	PC-id_26345115,CoCoCo_1583684,ZINC22_14990396,CoCoCo_1583682	476.571	GHDPUIVUDZCHNW-LJQANCHMSA-N	00000010100000101101000000001010000000000000000000000000	31-01-146465
COc1cc(/C=CCN2CCc3n(CC2)c(nn3)[C@@H](C(C)C)NC(=O)c2ccccn2)ccc1O	CoCoCo_1221526,CoCoCo_1221524	476.571	YTLQFPPMLHTMAE-WNWNSBFKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146466
COc1cc(/C=CCN2CCc3n(CC2)c(nn3)[C@H](C(C)C)NC(=O)c2ccccn2)ccc1O	CoCoCo_1221530,CoCoCo_1221528	476.571	YTLQFPPMLHTMAE-POUSAUBHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146467
COc1cc(/C=C/CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)ccc1O	CoCoCo_1221527,CoCoCo_1221525,ZINC22_11783157,PC-id_42163155	476.571	YTLQFPPMLHTMAE-DGQXCUQSSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146468
COc1cc(/C=C/CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)ccc1O	CoCoCo_1221529,CoCoCo_1221531,ZINC22_11783156,PC-id_42163153	476.571	YTLQFPPMLHTMAE-JXSPYEIYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146469
COc1cc(/C=C/CN2CCc3nnc(C(NC(=O)c4ccccn4)C(C)C)n3CC2)ccc1O	PC-id_45185536,ChEMBL-DNDi_CHEMBL21492637,EMOLS-id_25995209	476.571	YTLQFPPMLHTMAE-VOTSOKGWSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146470
COC(=O)c1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)cc1	ZINC22_20999460,CoCoCo_1358634,CoCoCo_1358633	476.571	WJDDMIIBVLDZGX-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146471
COC(=O)c1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)cc1	ZINC22_20999461,CoCoCo_1358636,CoCoCo_1358635	476.571	WJDDMIIBVLDZGX-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146472
O1CCC(CC1)C(=O)Nc1cn(nc1)c1ccc(C(=O)N(Cc2n[nH]c3c2CCCCC3)C)cc1	PC-id_42362452	476.571	SFEMCPAFGGYLFV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146473
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNCc1ccccc1)Cc1ccccc1C#N	PC-id_134808988	476.572	YTQUIKPXMATQOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146474
S(=O)(=O)(N1CCCC1)c1cc2sc(NC(=O)Cn3nc4n(CCCCC4)c3=O)nc2cc1	PC-id_55625034	476.572	IHMKWJYICCLOQP-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-146475
S(=O)(=O)(N(C)C)c1ccc(c2nc(sc2)NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55763690	476.572	LOXHVKWAHYAPBE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146476
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2Cc1ccccc1)O	SCHEMBL6775803,PC-id_10552567	476.586	YDBCXIRYBHOSAK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146477
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)cn(c2)Cc1ccccc1)O	SCHEMBL6770562,PC-id_22738117	476.586	OUQRGZFIODYIBN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146478
C=CC1=C(OCCOC1)/C=C/1CC(C)C=c2c(=N1)sc(c2)C(=O)NCc1cccc(c1)C(=O)C	PC-id_144764810	476.587	WYJIXJQWICNCBI-OEAKJJBVSA-N	00000000100000110111000000000010000000000000000000000000	31-01-146479
COC(=O)COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1	ZINC22_408970591	476.587	IXEGWEGDEHVJGY-OGLMXYFKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146480
COC(=O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408969897	476.587	WNIHUCONTLDBAE-OGLMXYFKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146481
N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)sc2c1CCCCC2	PC-id_25681064,MCULE-8835731401,EMOLS-id_48933414,CoCoCo_3574922,ZINC22_13031233	476.587	YJXUBASMANAVRD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146482
N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc2c1CCCCC2	EMOLS-id_48933194,ZINC22_13031272,PC-id_22200315,CoCoCo_3574351,MCULE-1366821608	476.587	WMUOLMUEGGWZEV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146483
C1CCN(CC1)CCN1CCNc2c(C1=O)n(c(n2)CNc1ccc(cc1)F)Cc1ccccc1	PC-id_134806590	476.589	VOPQHQJMYITPEF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146484
C1CCN(CC1)CCN1CCNc2c(C1=O)n(c(n2)CNc1cc(ccc1)F)Cc1ccccc1	PC-id_134808996	476.589	GJKJPCGBEALVRK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146485
CCCCN(C(=O)COC(=O)c1cc2c(s1)CCCCC2)c1c(N)n(CCC)c(=O)[nH]c1=O	MCULE-9610852014,ZINC22_9633979,EMOLS-id_11661174,PC-id_16265403,CoCoCo_2861400	476.589	VMUKGLSYRIXIKN-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-146486
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4ccc(cc4)N4CCCC4)CCn23)cc1	CoCoCo_1494883,EMOLS-id_20650673,ZINC22_12218726,CoCoCo_1494882,MCULE-7967524452,PC-id_42472461	476.589	ZZJHMZXMOVRSHU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-146487
O1c2cc(CC(C[NH+]3CCn4c(nnc4CCNC(=O)c4ccc(cc4)C)CC3)C)ccc2OC1	PC-id_74803184	476.591	CRYNBYLACAGICM-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-146488
O1c2cc(C[C@H](C[NH+]3CCn4c(nnc4CCNC(=O)c4ccc(cc4)C)CC3)C)ccc2OC1	PC-id_42434579	476.591	CRYNBYLACAGICM-HXUWFJFHSA-O	00000010100000110101000000001010000000000000000000000000	31-01-146489
O1c2cc(C[C@@H](C[NH+]3CCn4c(nnc4CCNC(=O)c4ccc(cc4)C)CC3)C)ccc2OC1	PC-id_42434582	476.591	CRYNBYLACAGICM-FQEVSTJZSA-O	00000010100000110101000000001010000000000000000000000000	31-01-146490
O1C(CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(OCc2ccccc2)cc1	PC-id_74801046	476.591	CCGQDTGWKLMDGS-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-146491
O1CCC(CC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1cc(Oc2ccccc2)ccc1	PC-id_42189814	476.591	WHEMJNUMVLKHTB-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-146492
O1[C@@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(OCc2ccccc2)cc1	PC-id_42406438	476.591	CCGQDTGWKLMDGS-DEOSSOPVSA-O	00000010100000110101000000000010000000000000000000000000	31-01-146493
O1[C@H](CCC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(OCc2ccccc2)cc1	PC-id_42406440	476.591	CCGQDTGWKLMDGS-XMMPIXPASA-O	00000010100000110101000000000010000000000000000000000000	31-01-146494
O=C(c1c(sc2c1CCCCC2)NC(=O)c1ccccc1O)N1CCN(CC1)c1ccccn1	PC-id_145966198	476.591	UJPPHCHENQPEGX-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-146495
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3cnc(c4ccccc4)s3)CCn12	EMOLS-id_20417530,PC-id_45174482,MCULE-2107498387	476.594	OJBGCYOAJINTHQ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-146496
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	PC-id_42436146,ZINC22_12158894,CoCoCo_1155420,CoCoCo_1155419	476.594	OJBGCYOAJINTHQ-QFIPXVFZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-146497
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	ZINC22_12158890,CoCoCo_1155417,PC-id_42436144,CoCoCo_1155418	476.594	OJBGCYOAJINTHQ-JOCHJYFZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-146498
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_1738311,ZINC22_17297543,MCULE-1425261828,EMOLS-id_15925561,PC-id_3352005	476.609	VFBVLYZFGRVKFY-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-146499
Cc1nc2c(s1)CCN(CC2)C(=O)CN(/C(=CC(=C)c1ncc(c(c1)C)F)/c1ccccc1)C	PC-id_145588146	476.609	SMYWMGRKBUWKQP-MYYYXRDXSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146500
Cc1nc2c(s1)CCN(CC2)C(=O)CN(C(=NC(=C)c1ccccc1)c1ccc(c(c1)C)F)C	PC-id_145588907	476.609	WTDDILQPZDKVSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146501
CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1	PC-id_44197108,SCHEMBL12074766	476.609	JFQCHPCLNOYICA-GOSISDBHSA-N	00000010100000110100000000000010000000000000000000000000	31-01-146502
CC(=O)Sc1ccc(cc1)C#Cc1cc(c2-c1ccccc2)C#Cc1ccc(cc1)SC(=O)C	PC-id_139087921,CT-id_2241492	476.609	DGYVYDPDMALRKQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146503
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_41086629	476.609	PVUVWPQSEYNIHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146504
s1c2c(CCCCC2)c(c1NC(=O)CCSc1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_41325465	476.609	AZZKZNVKMAVOHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146505
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccc(cc1)C	PC-id_16827378	476.609	OZDHPOQUWZPDNU-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-146506
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccccc1	PC-id_74948454	476.609	JFQCHPCLNOYICA-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-146507
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_24101285	476.609	MYTIIQDCUZXCHQ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146508
S(=O)(=O)(N1CCCCC1)c1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_16509465	476.609	BSBVBLOKIPFHHA-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146509
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccccc1	PC-id_16861654	476.609	ORXIIRPGOAKIDD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146510
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccccc1	PC-id_52598436	476.609	PTJOGNSIYMGYOY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146511
S(=O)(=O)(N(C1CC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_41363992	476.609	BKWIYMKPRKBBRS-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-146512
CCN(CCC1CCCc2c(C(=O)C1)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(cc2)NC(=O)C)CC	PC-id_145511627	476.61	OFXIMTROXQHDRD-JWGURIENSA-N	00000010100000100100000000001010000000000000000000000000	31-01-146513
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_323367420,MCULE-1175633621	476.612	QNFVKOXFGGIZJV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146514
CN1CCN(C(=O)c2c(NC(=O)NS(=O)(=O)c3ccccc3)sc3c2CCCCC3)CC1	GD-id_ZINC45289680,NSC731661,CHEMBL576730,PC-id_24204390	476.612	XNVPJUQFDGTNMU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146515
COc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1S(=O)(=O)N(C)C	ZINC22_28853274,CoCoCo_4405550,PC-id_36014320	476.612	URLDIAHIERYCPU-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146516
COc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1S(=O)(=O)N(C)C	ZINC22_28853276,CoCoCo_4405551,PC-id_36014322	476.612	URLDIAHIERYCPU-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146517
N#Cc1c(NC(=O)C(Nc2ccc(c(c2)S(=O)(=O)N(C)C)OC)C)sc2c1CCCCC2	EMOLS-id_24953901,PC-id_42926955,MCULE-9969007437	476.612	URLDIAHIERYCPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146518
s1c2c(CCCCC2)c(c1NC(=O)CSc1ncnc(N2CCOCC2)c1)C(=O)OCC	PC-id_45545973	476.612	QUDSBDBQPDSKEY-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-146519
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCCc2c1)c1cccnc1	PC-id_43066273	476.612	GZEIYQNDEIZGCO-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-146520
C/C=C(C=C
/CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)CCC(=O)N1CCNCC1)/C	PC-id_143188805	476.614	LQBNVEHNAOKTAX-QQMLJYKUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146521
CCN(CC)c1ccc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)cc1	PC-id_45172317,MCULE-7629583810,EMOLS-id_20408278,ChEMBL-DNDi_CHEMBL12764018	476.614	NZHSZIZFTNUXFS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146522
CCN(CC)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	CoCoCo_1142751,CoCoCo_1142752,PC-id_28309242,ZINC22_19739726	476.614	NZHSZIZFTNUXFS-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146523
CCN(CC)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1	CoCoCo_1142753,PC-id_28309243,CoCoCo_1142754,ZINC22_19739728	476.614	NZHSZIZFTNUXFS-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146524
CCn1c(CSc2nnc3n2CCCCC3)nc2cc(S(=O)(=O)N3CCOCC3)ccc12	ZINC22_8720001,PC-id_17556371,MCULE-8782029901,EMOLS-id_11992223,CoCoCo_3081479	476.615	WUJFACHFISLEPP-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-146525
s1c2CCCCCCc2nc1NC(=O)c1c(SCc2n(nnn2)c2ccccc2)cccc1	PC-id_56036617	476.617	TXBHRWPEKZGEDJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146526
CCCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408963419	476.63	BROKBUAVSDTXRT-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146527
CCCOc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cccc1OC	ZINC22_408972642	476.63	UCAKIPRSVRWKCA-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146528
CCOc1c(ccc(c1)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1cc(cc(c1)C)C)O	PC-id_135573834	476.63	LQEJGHGTYFETHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146529
CCOc1c(ccc(c1)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1cccc(c1C)C)O	PC-id_135736798	476.63	KQPNCIKHRKUKMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146530
CCOc1c(ccc(c1)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1c(ccc(c1)C)C)O	PC-id_135745811	476.63	PUYUKCDHIGCWAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146531
CCOc1c(ccc(c1)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1cc(c(cc1)C)C)O	PC-id_135847486	476.63	BVZYYDYKISJHNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146532
CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC	ZINC22_408971862	476.63	MOFMSDRGUCDKJW-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146533
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)c(OC)c1	ZINC22_409012913	476.63	JEMSQNVSODVWTJ-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146534
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)c(OC)c1	ZINC22_409015316	476.63	OPWYXEZFPFBXGP-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146535
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)c(OC)c1	ZINC22_409015928	476.63	PQOMZLBANISODX-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146536
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)c(OC)c1	ZINC22_409020212	476.63	ZWEJFGFNDDGFBD-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146537
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OC(C)C	ZINC22_408969522	476.63	PGVBHLZRQXFZKD-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146538
COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)c1	ZINC22_409010629	476.63	CVCZYASYCQBPFS-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146539
COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)c1	ZINC22_409016650	476.63	RADMATCYPTXCLB-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146540
COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)c1	ZINC22_409012519	476.63	INGNGDOQUIPIKA-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146541
COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)c1	ZINC22_409015146	476.63	NYMSQYGUEIYRDX-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146542
s1c2c(CCCCC2)c(c1NC(=O)CN(Cc1ccccc1)Cc1ccccc1)C(=O)OCC	PC-id_22197523	476.63	NDJDYGIILJRAGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146543
s1c2c(CCCCCC2)c(c1N/C=C
/C=C(OCC)C(=O)C=C1)C(=O)Nc1c(ccc(c1)C)C	PC-id_23731439	476.63	WRFGZRJMAKOERX-LVZFUZTISA-N	00000000100011110100000000000010000000000000000000000000	31-01-146544
s1c2c(CCCCCC2)c(c1N/C=C
/C=C(OCC)C(=O)C=C1)C(=O)Nc1cc(cc(c1)C)C	PC-id_23828651	476.63	ZHSKGASZZQNZOU-LVZFUZTISA-N	00000000100011110100000000000010000000000000000000000000	31-01-146545
s1c2c(CCCCCC2)c(c1N/C=C
/C=C(OCC)C(=O)C=C1)C(=O)Nc1c(c(ccc1)C)C	PC-id_24133689	476.63	OJPORFBTEHAAAO-LVZFUZTISA-N	00000000100011110100000000000010000000000000000000000000	31-01-146546
s1c2c(CCCCCC2)c(c1N/C=C
/C=C(OCC)C(=O)C=C1)C(=O)Nc1cc(c(cc1)C)C	PC-id_24160069	476.63	WVJDMKYUDOXKFB-LVZFUZTISA-N	00000000100011110100000000000010000000000000000000000000	31-01-146547
s1c2c(CCCCCC2)c(c1NC=C1C=C(OCC)C(=O)C=C1)C(=O)Nc1c(ccc(c1)C)C	PC-id_74111507	476.63	WRFGZRJMAKOERX-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-146548
s1c2c(CCCCCC2)c(c1NC=C1C=C(OCC)C(=O)C=C1)C(=O)Nc1cc(cc(c1)C)C	PC-id_74186706	476.63	ZHSKGASZZQNZOU-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-146549
s1c2c(CCCCCC2)c(c1NC=C1C=C(OCC)C(=O)C=C1)C(=O)Nc1cc(c(cc1)C)C	PC-id_74210225	476.63	WVJDMKYUDOXKFB-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-146550
s1c2c(CCCCCC2)c(c1NC=C1C=C(OCC)C(=O)C=C1)C(=O)Nc1c(c(ccc1)C)C	PC-id_74214267	476.63	OJPORFBTEHAAAO-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-146551
s1c2c(CCCCCC2)c(c1NC(=O)CN(Cc1ccccc1)Cc1ccccc1)C(=O)OC	PC-id_22197457	476.63	VJAAQZSPYSFEIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146552
CC(C[C@@H](c1nnc2n1CC[N@H+](CC2)C/C(=C/c1ccco1)/C)NC(=O)c1cc(C)cc(c1)C)C	GD-id_ZINC14881614	476.634	UYEQPNQQJGQRQV-MSMNXAATSA-O	00000000101000110101000000000010000000000000000000000000	31-01-146553
CCN(c1ccccc1)CC(=O)Nc1ccc(cc1)C(=O)N1CCCC(c2c1ccs2)N(C)C	PC-id_139709976	476.634	FDIKFWJWLXGOPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146554
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc1)C	PC-id_42369010	476.634	HOCROXDBMSALBJ-RUZDIDTESA-O	00000000100000110101000000000010000000000000000000000000	31-01-146555
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc1)C	PC-id_42369015	476.634	HOCROXDBMSALBJ-VWLOTQADSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146556
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc1)C	PC-id_74799947	476.634	HOCROXDBMSALBJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146557
s1c2CCCCCc2c(c1NC(=O)CSc1sc(=S)n(n1)c1ccc(F)cc1)C#N	PC-id_4399369	476.634	VQGWTNCIWKZUIZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146558
s1c2c(nc1N)[C@@H](CCCC2)C(=O)Nc1ccc(C[C@H]2N[C@H](CC2)[C@H](O)c2ccccc2)cc1	PC-id_76332893	476.634	IUFKANFNYRZBLU-IYXIZZNPSA-N	00000010100000110101000000000010000000000000000000000000	31-01-146559
CCN(CCCS(=O)(=O)N[C@@H](c1nn2c(n1)CN(C(=O)CC2)C)CCc1ccccc1)CC	SCHEMBL1709576,PC-id_67129795	476.635	DWNVFKJXHBWSQA-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146560
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1sccc1)C(=O)OC	PC-id_4023509	476.635	LWKUHFQAUPGDGD-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-146561
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)C)C(=O)OC	PC-id_19717587	476.635	PMIRSUIYCKXTEF-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-146562
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1sccc1)C)C(=O)OCC	PC-id_19725474	476.635	JFHPQBHNQRRGKZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-146563
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)C)C(=O)OC	PC-id_20127484	476.635	VNVJDCKQYFQCPZ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-146564
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1sccc1)C)C(=O)OC	PC-id_19725425	476.635	QFOLGYMCEGHNKA-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-146565
S(=O)(=O)(N1CCCC1)c1ccc(SCC(=O)Nc2sc3CCCCCc3c2C#N)nc1	PC-id_46822570	476.635	WRENXJUHJPWKSD-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-146566
S(=O)(=O)(NC(CCc1ccccc1)c1nn2c(n1)CN(C(=O)CC2)C)CCCN(CC)CC	PC-id_77185310	476.635	DWNVFKJXHBWSQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146567
S(c1ncccc1C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)c1cc(c(cc1)C)C	PC-id_46534028	476.637	IAKWDOBQBIUJBM-UHFFFAOYSA-N	00000000100010111101000000000010000000000000000000000000	31-01-146568
c12-c(c(cc1)CC[C@@H](/C=C/[C@@H]1C3C(C[C@H]1O)C/C(=CCCCC(=O)O)/C3)O)cccc(c2)C(C)C	CHEMBL64666	476.647	WBDREHDVHQEEHI-OBCGCBAYSA-N	00000010100000000110000000000110000000000000000000000000	31-01-146569
OC1C(C2C(C1)CC(=CCCCC(=O)O)C2)C=CC(O)CCc1c2-c(cc1)cc(C(C)C)ccc2	PC-id_74987597	476.647	WBDREHDVHQEEHI-UHFFFAOYSA-N	00000010100000000110000000000110000000000000000000000000	31-01-146570
O[C@H]1[C@@H](C2C(C1)CC(=CCCCC(=O)O)C2)/C=C/[C@@H](O)CCc1c2-c(cc1)cc(C(C)C)ccc2	PC-id_44302461	476.647	WBDREHDVHQEEHI-JCJURPGNSA-N	00000010100000000110000000000110000000000000000000000000	31-01-146571
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2	GD-id_ZINC08455538,PC-id_40737976	476.649	OYNOMTLDRSZHCB-RBUKOAKNSA-M	00000000100010000100000000000010000000000000000000000000	31-01-146572
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)C1C(CCCC1)C(=O)[O-])C(=O)OCC	PC-id_74712943	476.649	OYNOMTLDRSZHCB-UHFFFAOYSA-M	00000000100010000100000000000010000000000000000000000000	31-01-146573
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)[C@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_40737970	476.649	OYNOMTLDRSZHCB-MOPGFXCFSA-M	00000000100010000100000000000010000000000000000000000000	31-01-146574
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)[C@@H]1[C@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_40737972	476.649	OYNOMTLDRSZHCB-OALUTQOASA-M	00000000100010000100000000000010000000000000000000000000	31-01-146575
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)[C@H]1[C@@H](CCCC1)C(=O)[O-])C(=O)OCC	PC-id_40737974	476.649	OYNOMTLDRSZHCB-RTBURBONSA-M	00000000100010000100000000000010000000000000000000000000	31-01-146576
s1c2c(CCCCC2)c(c1NC(=S)NCc1cc(OCC)c(OCC)cc1)C(=O)OCC	PC-id_20172417	476.652	XOUKVAKDWLHXCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146577
s1c2c(CCCCCC2)c(c1NC(=S)NCc1cc(OCC)c(OCC)cc1)C(=O)OC	PC-id_20172410	476.652	CSVZYORJZQOKRA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146578
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1cc(OC)c(OC)cc1)C)C(=O)OCC	PC-id_19675702	476.652	NVYUJCBNHGCCCV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146579
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1c(OC)ccc(OC)c1)C)C(=O)OCC	PC-id_20172486	476.652	DYFCCSSRUQVQQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146580
s1c2c(CCCCCC2)c(c1NC(=S)NCCc1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_19649965	476.652	UNQRLDNKKJGXTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146581
CCC(=O)c1ccc(cc1)Nc1nc2=CCC=C(C=c2n1C)C(=O)N(CCC(C)C)CCC(C)C	PC-id_142936841	476.653	GPQLVRVKOFPWII-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-146582
c1(NC(=S)NC(=O)c2cnn(CC)c2)sc2c(CCCCCCCCCC2)c1C(=O)OC	SPECS-id_AK-968/41024459,TIMTEC295526,EMOLS-id_4157703,CoCoCo_5836982,ZINC22_2108447,PC-id_1763610,MCULE-3011000100	476.655	LTHXEVXVMXFZED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146583
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC)C(=O)OCC	PC-id_20125416	476.655	RLIPAYHDDMGLMV-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-146584
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)CC)C(=O)OC	PC-id_20125620	476.655	JISJUADYPQMXIX-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-146585
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)C)C(=O)OCC	PC-id_20125596	476.655	BOUBVDBBRVEKOI-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-146586
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)C)C(=O)OC	PC-id_20128363	476.655	ZKSWUHSHWLYZJJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146587
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC)C(=O)OC	PC-id_20125343	476.655	WUZISDGTQPWBSR-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-146588
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)C)C(=O)OC	PC-id_20125552	476.655	UMZQAEKNIDEFBN-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-146589
s1c2CCCCCCc2nc1NC(=O)c1c(N2CCCCC2)ccc(S(=O)(=O)N(C)C)c1	PC-id_56060807	476.655	IYEJFGHKDFQARB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146590
CCC(CN1CCC(CC1)Cn1c2=CC=CCC=c2c(c1C)Cc1ccc(cc1F)C(=O)C)(C)C	PC-id_144879986	476.668	VJUVAUCYYWRILQ-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-146591
CCCOc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1cnc(s1)C	PC-id_138670332	476.698	WCPJGRVWNODMSB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146592
CCCOc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1cnc(s1)C	SCHEMBL21040669	476.698	WCPJGRVWNODMSB-WGSAOQKQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146593
CC(Oc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1cnc(s1)C)C	PC-id_138671151	476.698	LZANYRHQHFGBQD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146594
CC(Oc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1cnc(s1)C)C	SCHEMBL21041521	476.698	LZANYRHQHFGBQD-WGSAOQKQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146595
CCCCCCCCNCC(CCCCCCCCCn1cnc2c1C(=O)N(C)CC(C2)C)O	PC-id_141817336	476.738	WOUWGNJDEPQMSD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146596
CCCCN1C(=O)N(CCCCn2nnc(n2)c2ccccc2F)COCc2c1nc([nH]2)Cl	PC-id_143405399	476.935	PDXLEKKEMAYANA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146597
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc(c4ccccc4Cl)o3)CCn12	PC-id_45166328,MCULE-2520406849,EMOLS-id_232725927	476.958	FVYVHTRRAJMLEU-UHFFFAOYSA-N	00000000101000111101100000000010000000000000000000000000	31-01-146598
C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccc(c3ccccc3Cl)o1)CC2	PC-id_29087566,ZINC22_20600517	476.958	FVYVHTRRAJMLEU-KRWDZBQOSA-N	00000000101000111101100000000010000000000000000000000000	31-01-146599
C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccc(c3ccccc3Cl)o1)CC2	ZINC22_20600516,PC-id_29087565	476.958	FVYVHTRRAJMLEU-QGZVFWFLSA-N	00000000101000111101100000000010000000000000000000000000	31-01-146600
Clc1ccc(cc1)c1ccc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)o1	PC-id_28391178,CoCoCo_1177687,ZINC22_19837626,CoCoCo_1177688,EMOLS-id_32372846,MCULE-6110698253	476.958	AGZLHRMCAUWNAI-UHFFFAOYSA-N	00000000101000111101100000000010000000000000000000000000	31-01-146601
Clc1cc(c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1)C(F)(F)F	PC-id_19676162	476.963	HWVBMFBIBLURPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146602
Clc1c(cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1)C(F)(F)F	PC-id_19676679	476.963	IQFKKUBGAVMSCT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146603
Clc1cc(c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1)C(F)(F)F	PC-id_19676155	476.963	NEOKOJCQBCSZBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146604
Clc1c(cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1)C(F)(F)F	PC-id_19676672	476.963	LJXFJUWOGKYDOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146605
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc(cc1)C(F)(F)F	PC-id_20412136	476.963	XIZIPOYIGZZDRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146606
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc(cc1)C(F)(F)F	PC-id_20412129	476.963	RNUPHMPVKKLWQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146607
Clc1c(n(nc1C)Cc1c(noc1C)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_19442230	476.976	XIRJUSIVJQNUPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146608
Clc1ccc(c2oc(C[NH+]3CCn4c(nnc4CNC(=O)Cc4ccccc4)CC3)cc2)cc1	PC-id_42366409	476.978	LIWAQVIXDMSXMF-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-146609
Clc1c(c2c(c(sc2)NC(=O)CSc2n3CCCCCc3nn2)C(=O)OC)cccc1	PC-id_24570649	476.999	VBKDBMIVCARKJE-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-146610
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)COc3ccc(cc3)Cl)CCn12	PC-id_45235093,ChEMBL-DNDi_CHEMBL73605969,EMOLS-id_20677677,MCULE-9087468091	477	XZEAQXASNMEPSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146611
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)COc1ccc(Cl)cc1)CC2	ZINC22_12453996,CoCoCo_1536186	477	XZEAQXASNMEPSZ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146612
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)COc1ccc(Cl)cc1)CC2	ZINC22_12454001,CoCoCo_1536187	477	XZEAQXASNMEPSZ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-146613
Clc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C3CC[NH+](CC3)C)C)CC2)cc2OCOc2c1	PC-id_42237843,GD-id_ZINC11870844	477	HKJVRLXQSDSFTN-OAHLLOKOSA-P	00000010100010100101000000001010000000000000000000000000	31-01-146614
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C3CC[NH+](CC3)C)C)CC2)cc2OCOc2c1	PC-id_42237844	477	HKJVRLXQSDSFTN-HNNXBMFYSA-P	00000010100010100101000000001010000000000000000000000000	31-01-146615
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)C3CC[NH+](CC3)C)C)CC2)cc2OCOc2c1	PC-id_74784686	477	HKJVRLXQSDSFTN-UHFFFAOYSA-P	00000010100010100101000000001010000000000000000000000000	31-01-146616
C[N@H+]1CCC[C@H](C1)C(=O)NCCc1nnc2n1CC[N@@H+](CC2)Cc1cc2OCOc2cc1Cl	GD-id_ZINC14888811	477	IJLOPFDAYZARIG-MRXNPFEDSA-P	00000010100010100101000000001010000000000000000000000000	31-01-146617
Clc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)ccn2Cc1ccccc1	SCHEMBL6774866,PC-id_22738040	477.041	SDDAFNLDCYCANG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146618
CC(C=C)(C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155062061	477.098	CQTZOIVRXXUXJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146619
C[C@](C=C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_154682316	477.098	CQTZOIVRXXUXJE-KDOFPFPSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146620
CC(C=C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155062074	477.098	CQTZOIVRXXUXJE-IKJXHCRLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146621
C[C@@](C=C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155062076	477.098	CQTZOIVRXXUXJE-RDTXWAMCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146622
C[C@@](C=C)([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155257988	477.098	CQTZOIVRXXUXJE-KBXCAEBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146623
CC(C=C)([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155257992	477.098	CQTZOIVRXXUXJE-PIVQAISJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146624
CC#C[C@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(NC3=CC(=C(C=C3)F)C(F)(F)F)O)O	PC-id_155062030	477.098	HGCQDPYIEMFFEW-LPOUJYBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146625
CC1=C(N2CCCC=CC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_155278762	477.115	KYHSIJRHJCCFMT-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-146626
CC(C)C(C(=O)CC1CC2=CN=C(S2)CCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_147801704	477.139	HLQLWCCMPZNDBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146627
CC(C)C(C(=O)CC1CCC2=CC(=NS2)CCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_153055224	477.139	VIIUXKBTDWUFQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146628
Ic1c(C(=O)Nc2sc3CCCCCc3n2)cc(Br)cc1	PC-id_24603974	477.158	GBJJQKFKBWCFCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146629
CC1=C(C=CC=N1)C(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_161427305	477.226	VXNMXJLIAOMDQV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-146630
CC1=C2C(=NN1)C(=CN(CC2(C)C)C(=O)C3=CC=C(C=C3)OCCN4C=CN=C4)C(=O)OC(C)C	PC-id_160404867	477.238	QFVFSRPXGPBCHP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-146631
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3CCN(CC3)C(=O)N(C)C	PC-id_155171368	477.295	PANOELGSSWMQQI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146632
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(F)c(F)c(c(F)c1F)C(F)(F)F	PC-id_19523694	477.299	IIEQLFDGNHRANO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146633
Brc1ccc(NC(=O)C2CCCN(C2)C(=O)Cn2nc3n(CCCCC3)c2=O)nc1	PC-id_55930746	477.355	ADMHNDYJCROAOY-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-146634
Brc1ccc(NC(=O)C2CCN(CC2)C(=O)Cn2nc3n(CCCCC3)c2=O)nc1	PC-id_55931397	477.355	NGPOWJBJMCBTNO-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-146635
C1Cn2c(c(c(n2)C(=C[N+]#N)O)C(F)(F)F)C[N+](C1)(C(=O)OCc1ccccc1)C(F)(F)F	PC-id_90461107	477.36	ZCYZMSSYDWSJMM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146636
Brc1c(C(=O)OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)cc(OC)cc1	PC-id_55420559	477.371	NSBOBIDGTVOSFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146637
c1(NC(=O)c2nn(cc2Br)C)sc2c(CCCCC2)c1C(=O)NCc1ccco1	CoCoCo_6475099,MCULE-8263011719,PC-id_35591553,ZINC22_28304565,EMOLS-id_15315891	477.375	HUBGMFVXBJCFTL-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-146638
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1Cl)NC(=O)c1cccc(c1C)F	SCHEMBL6988950,PC-id_69953805	477.379	VHUCQOZMYWNFRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146639
Clc1c(C(=O)N2CCCCc3sccc23)c(Cl)cc(NC(=O)c2c(ccc(F)c2)C)c1	PC-id_57263540	477.379	YCCIKCNNZGWDFO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146640
Clc1c(C(=O)N2CCCCc3sccc23)c(Cl)cc(NC(=O)c2c(c(F)ccc2)C)c1	PC-id_57098429	477.379	AJHUXCXQHILERP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146641
Clc1sc2CCCCN(c2c1)C(=O)c1c(Cl)cc(NC(=O)c2c(ccc(F)c2)C)cc1	PC-id_19029048,SCHEMBL6984084	477.379	RTFKMRKMFACNTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146642
Clc1sc2CCCCN(c2c1)C(=O)c1c(Cl)cc(NC(=O)c2c(cc(F)cc2)C)cc1	PC-id_69952856,SCHEMBL6986446	477.379	LLYUPCZAXPYUHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146643
FC1=CC(C(C=C1)(C)Cl)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1CCC=Cc2c1ccs2	PC-id_142627633	477.379	LHQDSZGQLQPYOL-UHFFFAOYSA-N	00000000100011110110000000000010000000000000000000000000	31-01-146644
Fc1ccc(c(c1)Cl)C(=O)Nc1ccc(c(c1)C)C(=O)N1CCCCc2c1cc(s2)Cl	PC-id_142627638	477.379	RIOMQBWVCMXFRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146645
Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)C)C(=O)N1CCCCc2c1cc(s2)Cl)Cl	PC-id_142627639	477.379	ILMWFXOVSUTYON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146646
NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c(Cl)c1	ZINC22_9244465,EMOLS-id_3513110,MCULE-9929555146,CoCoCo_2861399,PC-id_16257170	477.382	DJFOASSMHJNALO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146647
Brc1cc(CC(CCCCn2c3C(O)CN=CNc3nc2)(C)C(=O)OCC)ccc1	PC-id_10743227	477.395	IOSPSTINRZRTKB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-146648
CCOC(=O)C(C)(CCCCn1cnc2c1NC=NCC2O)Cc1cccc(Br)c1	PC-id_11798816,CHEMBL37641,BindingDB_PC-id_11798816	477.395	BTUQTKOHXNERTJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-146649
CCOC(=O)c1nn2c(c1)CN(CCC2)C(=O)CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16100257,PC-id_90460926	477.4	KSNMGCIZNMIUKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146650
O=C(c1cn(c2=CCC=CC(=c12)Br)CC1(F)C=COC1)NCCC1CCCCCC1	PC-id_144482028	477.41	LDIJZVLCWPPXRA-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-146651
Brc1c(C=C(c2n3CCCCCc3nn2)c2scc(n2)c2ccccc2)cccc1	PC-id_3275158,MCULE-3322270345,EMOLS-id_26179705	477.419	HFHFXISCUZCCFW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146652
Brc1c(/C=C(/c2n3CCCCCc3nn2)c2scc(n2)c2ccccc2)cccc1	PC-id_5779896,CoCoCo_3767744	477.419	HFHFXISCUZCCFW-CYVLTUHYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146653
Brc1ccccc1/C=C(/c1nc(c2ccccc2)cs1)c1nnc2n1CCCCC2	CoCoCo_3767745,ZINC22_33383940,PC-id_75459573	477.419	HFHFXISCUZCCFW-XDJHFCHBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146654
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(N2C3CCCC2CC3)C)cc(c1)Cl	SCHEMBL16129720,PC-id_117616532	477.427	KBEBPTUUDAGMBS-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-146655
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)CNc1ccc(cc1)OC(F)(F)F)[N+](=O)[O-]	PC-id_89580388,SCHEMBL14966083	477.436	KAMUWWCQSJSSGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146656
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)CNc1cc(ccc1)OC(F)(F)F)[N+](=O)[O-]	SCHEMBL14965884,PC-id_89580244	477.436	GSHYCIJAIHUFQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146657
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)NCCCn2nc3CCCc3c2C(F)(F)F)n1	MCULE-2425962679,ZINC22_36614355,TIMTEC235953,PC-id_19614135,EMOLS-id_8868288,SCHEMBL1007322	477.447	JFEYPRSQDPXHSG-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-146658
FC(F)(F)c1nn(c(C2CC2)c1)CCCNC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F	PC-id_19523747	477.447	AHWJNIKVTPKZHY-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-146659
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc1Cl	PC-id_22194736	477.45	RJZHUKYIRVXXAJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146660
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)ccc(Cl)c1	PC-id_22194839	477.45	BIDAXGVDIOKCQV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146661
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)c(Cl)ccc1	PC-id_22195566	477.45	QJOPWVMZMMHPGP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146662
Ic1c2n(CCCC[C@@H]2CCO[Si](C(C)(C)C)(C)C)c(c1)C(=O)OC	PC-id_53359131	477.452	YWBIMSKIAUWBOS-CQSZACIVSA-N	00000000100000000100000000000010000000000000000000000000	31-01-146665
Fc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(OC(F)(F)F)cc3)CCn12	CoCoCo_1500870,MCULE-7653081938,ZINC22_19867109,PC-id_28410887,CoCoCo_1500869,EMOLS-id_20654683	477.455	SVMAALFQCICUKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146666
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)NOCC(=O)N(C)C	SCHEMBL7314284,PC-id_88126660	477.464	OPUSOHRRADWQDY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-146667
Brc1ccc(cc1)CCN1CCC(CC1)C(=N)N1CCSc2c(C1=N)ccs2	PC-id_141859784	477.484	QHICBDPLXUZLPB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146668
CCC(c1nnnn1Cc1ccc(cc1NSC1=CCCC=Cc2c1non2)C(F)(F)F)C	PC-id_143400066	477.506	OCJOEBPNKMNHPX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-146669
Fc1ccc(c(c1)C(=O)NC(c1nnc2n1CCN(CC2)Cc1ccccc1c1ccco1)C)F	ChEMBL-DNDi_CHEMBL15728225,PC-id_45165829	477.506	JHTCXBAPOVYPCE-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-146670
CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1[N+](=O)[O-]	CoCoCo_2849168,EMOLS-id_15236178,ZINC22_3363207,MCULE-5715545635,PC-id_2480823	477.511	WPJDZCPJJAUTDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146671
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1ccc(cc1)C(=O)N1CCOCC1)[N+](=O)[O-]	SCHEMBL14965948,PC-id_89580292	477.512	CXKLKXKRGUKEHN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146672
FC(F)(F)c1cccc(CC(=O)N2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c1	PC-id_42467711,EMOLS-id_20502473,ZINC22_12212177,MCULE-8119655588,CoCoCo_1275079	477.523	BVJPNSVQURKPSR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146673
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_4518110	477.527	WSTWPZJEUXGNGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146674
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1c(OC)cc(OC)c(OC)c1)C(=O)OC	PC-id_5013717	477.527	NQUCMLUDVRFSEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146675
c1cccc(CN(C)C(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2ccc(cc2)F)C3=O)c1	PC-id_46049529,EMOLS-id_25387940,MCULE-4450171214	477.531	CFEDUDDTSQSXBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146676
c1cc(CNC(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)ccc1F	MCULE-2638900102,EMOLS-id_25388066,PC-id_46049731	477.531	GROISBWRJAQUMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146677
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)N(CC(=O)NCc1ccc(cc1)F)C	MCULE-5459014645,EMOLS-id_25387988,PC-id_46049674	477.531	JPLHKNBGKCSGRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146678
Cc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCc2ccc(F)cc2)cc1	EMOLS-id_25388432,MCULE-8383434451,PC-id_46049708	477.531	QOXYPHMYEDNVJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146679
CC(NC(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1)c1ccccc1	EMOLS-id_25388492,MCULE-4997244784,PC-id_46049820	477.531	LMMTZUNUKJSWAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146680
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@H](C(=O)N(Cc1ccccc1)C)C	PC-id_93332344	477.531	BDPUDCMJPKLSDP-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146681
Fc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@@H](C(=O)N(Cc1ccccc1)C)C	PC-id_93332345	477.531	BDPUDCMJPKLSDP-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146682
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NC(c2ccccc2)C)cc1	EMOLS-id_25388512,PC-id_46049838,MCULE-3681081860	477.531	BIKJQYBXYZQNCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146683
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)N(Cc2ccccc2)C)cc1	PC-id_46049557	477.531	UZVJCJCSKXTRDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146684
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCCc2ccccc2)cc1	PC-id_46049840	477.531	UTCFJXUOGAHQJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146685
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)N(Cc2ccccc2)C)C)cc1	PC-id_46049515	477.531	BDPUDCMJPKLSDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146686
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NC(c2ccccc2)C)C)cc1	PC-id_46049803	477.531	XUJDPTRJTWSXAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146687
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCCc2ccccc2)C)cc1	PC-id_46049806	477.531	DIMZIEPBFPYCGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146688
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NCCc2ccccc2)C)cc1	PC-id_46049822	477.531	UQNAMAVNDYLUQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146689
Fc1ccc(CNC(=O)CCNC(=O)c2nn3CCCN(Cc4cc(ccc4)C)C(=O)c3c2)cc1	PC-id_42855000	477.531	ORDSGDXCSSDXNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146690
Fc1ccc(CNC(=O)CCNC(=O)c2nn3CCCN(Cc4c(cccc4)C)C(=O)c3c2)cc1	PC-id_46159941	477.531	VJDWBHVMKUMIDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146691
Fc1ccc(CNC(=O)C(NC(=O)c2nn3CCCN(Cc4cc(ccc4)C)C(=O)c3c2)C)cc1	PC-id_42854985	477.531	DYFRZNHFSYKQAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146692
Fc1ccc(CNC(=O)CN(C(=O)c2nn3CCCN(Cc4c(cccc4)C)C(=O)c3c2)C)cc1	PC-id_46049767	477.531	XXTDLQILGYHVCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146693
Fc1ccc(CNC(=O)C(NC(=O)c2nn3CCCN(Cc4c(cccc4)C)C(=O)c3c2)C)cc1	PC-id_46159931	477.531	RMRDERSSKIFTTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146694
Fc1ccc(CNC(=O)C(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccc(cc2)C)C)cc1	PC-id_42854968	477.531	CJKXAZFWGJRJDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146695
O=C(N[C@H](c1ccccc1)C)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F	PC-id_93332554	477.531	BIKJQYBXYZQNCB-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146696
O=C(N[C@@H](c1ccccc1)C)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F	PC-id_93332555	477.531	BIKJQYBXYZQNCB-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146697
O=C(N[C@H](c1ccccc1)C)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_93332552	477.531	LMMTZUNUKJSWAI-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146698
O=C(N[C@@H](c1ccccc1)C)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_93332553	477.531	LMMTZUNUKJSWAI-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146699
Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1NC(=O)c1ccco1	CHEMBL1335963,ZINC22_3248172,PC-id_2365360,EMOLS-id_3103603,CoCoCo_3000740,MCULE-3332283448,ChEMBL-DNDi_CHEMBL1335963	477.532	CBNCTABHRWKLFL-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-146700
s1c2c(CCCCC2)c(c1NC(=O)CSC1=NC(=O)C(=NC(=O)C)C(=N1)[O-])C(=O)OCC	PC-id_74567017	477.534	IAGUXRGJQCZRQT-UHFFFAOYSA-M	00000000100011000101000000000010000000000000000000000000	31-01-146701
O=C(Cn1cnc2c1C(=O)[NH2+]NCCN2)Nc1ccc(cc1)Oc1ccc(cc1)OC1CCCC1	PC-id_143900880	477.536	ZWCQAODANGSUTA-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-146702
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1c(F)cc(F)cc1)C(=O)OC	PC-id_19469701	477.544	LMMNEBFPKLPRPP-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-146703
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	CoCoCo_4226673,PC-id_31397379,ZINC22_9728232,CoCoCo_4226674	477.546	HNPYEFPGNIJWNO-HNNXBMFYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-146704
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	ZINC22_9728234,CoCoCo_4226676,CoCoCo_4226675,PC-id_31397377	477.546	HNPYEFPGNIJWNO-OAHLLOKOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-146705
N#Cc1c(NC(=O)CCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)sc2c1CCCCC2	ZINC22_13038758,PC-id_25685234,CoCoCo_3589927,CoCoCo_3589928,MCULE-8579565149,EMOLS-id_24169957	477.546	LBRNLOUUOUQKSF-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-146706
N#Cc1c(NC(=O)C(N2CCN(CC2)c2ccc(cn2)C(F)(F)F)C)sc2c1CCCCC2	PC-id_16329170,MCULE-9313537503,EMOLS-id_11765695	477.546	HNPYEFPGNIJWNO-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-146707
OC[C@H]1O[C@H](OCCNC(=O)OCCc2ccc(cc3-c2ccc3C)C(C)C)[C@H]([C@H]([C@@H]1O)O)O	PC-id_102167679	477.547	QFUPVZQZCYAEAQ-DJCPXJLLSA-N	00000010100010000110000000000010000000000000000000000000	31-01-146708
CCCCOCn1cc(c2c1C(=NC=CC=C2)OC)CNC(C(C1OC(O1)C)O)C(=O)OCC	PC-id_89149152	477.551	ARYAWIWVNSOIHU-UHFFFAOYSA-N	00001000100000000111000000000010000000000000000000000000	31-01-146709
CCCCOCn1cc(c2c1C(=NC=CC=C2)OC)CN[C@H]([C@@H](C1OC(O1)C)O)C(=O)OCC	SCHEMBL13692092,PC-id_70970228	477.551	ARYAWIWVNSOIHU-ORYJEHCJSA-N	00001000100000000111000000000010000000000000000000000000	31-01-146710
CN1CCC(c2c(S1(=O)=O)ccn2CCCN1CCN(CC1)C(=O)c1ccc(cc1)F)N=O	PC-id_91305995	477.552	VJGZAHMXCOBADE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146711
O=C(NC(Cc1ccc(OC)cc1)C(=O)NC)C(CCc1c2-c(cc1)ccccc2)CC(=O)NO	PC-id_19606554	477.552	DUJLWQCYVQWXFN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146712
O=C(N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)[C@H](CCc1c2-c(cc1)ccccc2)CC(=O)NO	SCHEMBL8486696,PC-id_18395260	477.552	DUJLWQCYVQWXFN-QPPBQGQZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146713
S1(=O)(=O)N(CCC(=NO)c2n(CCCN3CCN(CC3)C(=O)c3ccc(F)cc3)ccc12)C	PC-id_59121909	477.552	NCDAEPTZZAIWGX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146714
O=Cc1cc2c([nH]1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccc(cc1)C	PC-id_139709962	477.554	HMWSGOUPKYNMSJ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-146715
CCN(CCC(=O)NCc1ccco1)C(=O)c1cc2C(=O)N(Cc3ccccc3C)CCCn2n1	PC-id_46050056,EMOLS-id_25388986,MCULE-5601872356	477.555	IEVSAKDMGGZRSS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-146716
CCN(CCC(=O)NCc1ccco1)C(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	MCULE-3811670207,PC-id_46050020,EMOLS-id_25387776	477.555	SISILUUYCCNUOW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-146717
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)CCC(=O)NCc1ccco1	PC-id_46049973,EMOLS-id_25387798,MCULE-5162543733	477.555	CLKYCHSNKTZFOV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-146718
COc1cc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)cc2c1OCO2	MCULE-3291452053,ZINC22_12042652,CoCoCo_1180365,EMOLS-id_20435597,CoCoCo_1180364,PC-id_42373365	477.555	ZYAWVHNLTJONLF-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-146719
COc1cc(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)cc2OCOc12	PC-id_45191338,MCULE-1537537336,ChEMBL-DNDi_CHEMBL26009396,EMOLS-id_20490445	477.555	CHZPYSIMRVMSPY-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-146720
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc2c1OCO2	CoCoCo_1257487,PC-id_42342842,CoCoCo_1257488,ZINC22_11997958	477.555	CHZPYSIMRVMSPY-GOSISDBHSA-N	00000010100000110101000000001010000000000000000000000000	31-01-146721
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc2c1OCO2	ZINC22_11997962,CoCoCo_1257490,PC-id_42342849,CoCoCo_1257489	477.555	CHZPYSIMRVMSPY-SFHVURJKSA-N	00000010100000110101000000001010000000000000000000000000	31-01-146722
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NCc1occc1)Cc1ccccc1	PC-id_46049898	477.555	KILHCBLNNRVBIE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-146723
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1c(onc1C)C)nn2)C	PC-id_134828958	477.557	WKIUDKFVIGTYIY-DOXZYTNZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146724
C[C@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1c(onc1C)C)nn2)C	PC-id_134828981	477.557	WKIUDKFVIGTYIY-KHYOSLBOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146725
C[C@@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1c(onc1C)C)nn2)C	PC-id_134828996	477.557	WKIUDKFVIGTYIY-ZRGWGRIASA-N	00000000100000000101000000000010000000000000000000000000	31-01-146726
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(onc1C)C	PC-id_75036346	477.557	RMZGJSLXUIRDMP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146727
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(onc1C)C	CHEBI:112527,PC-id_44484527	477.557	ZMFVFBQYBHAIKE-YZVOILCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146728
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(onc1C)C	CHEBI:95531,PC-id_44487420	477.557	ZMFVFBQYBHAIKE-DOXZYTNZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146729
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(onc1C)C	CHEBI:95756,PC-id_44485076	477.557	ZMFVFBQYBHAIKE-KHYOSLBOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146730
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(onc1C)C	CHEBI:96271,PC-id_44485761	477.557	ZMFVFBQYBHAIKE-VCBZYWHSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146731
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(onc1C)C	CHEBI:96568,PC-id_44485075	477.557	ZMFVFBQYBHAIKE-ZRGWGRIASA-N	00000000100000000101000000000010000000000000000000000000	31-01-146732
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(onc1C)C	PC-id_44484529,CHEBI:112499	477.557	ZMFVFBQYBHAIKE-CLCXKQKWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146733
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(onc1C)C	PC-id_44486366,CHEBI:95581	477.557	ZMFVFBQYBHAIKE-SPYBWZPUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146734
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(onc1C)C	PC-id_44486971,CHEBI:112655	477.557	ZMFVFBQYBHAIKE-QMTMVMCOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146735
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(onc1C)C	CHEBI:112459,PC-id_44506028	477.557	RMZGJSLXUIRDMP-CLCXKQKWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146736
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(onc1C)C	CHEBI:112588,PC-id_44505842	477.557	RMZGJSLXUIRDMP-ZRGWGRIASA-N	00000000100000000101000000000010000000000000000000000000	31-01-146737
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(onc1C)C	CHEBI:112645,PC-id_44505453	477.557	RMZGJSLXUIRDMP-KHYOSLBOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146738
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(onc1C)C	CHEBI:96813,PC-id_44505834	477.557	RMZGJSLXUIRDMP-QMTMVMCOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146739
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(onc1C)C	CHEBI:96933,PC-id_44505623	477.557	RMZGJSLXUIRDMP-VCBZYWHSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146740
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(onc1C)C	PC-id_44505449,CHEBI:112630	477.557	RMZGJSLXUIRDMP-SPYBWZPUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146741
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(onc1C)C	PC-id_44505450,CHEBI:112538	477.557	RMZGJSLXUIRDMP-DOXZYTNZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146742
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(onc1C)C	PC-id_44505451,CHEBI:112523	477.557	RMZGJSLXUIRDMP-YZVOILCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146743
Cc1nc2c(s1)CCN(CC2)C(=O)CN=C(/C=C(C=C)/c1ccc(cc1)F)c1ccc(cc1)F	PC-id_136635247	477.569	NLBZGOQHQJZGQR-DSDGBEERSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146744
Cc1nc2c(s1)CCN(CC2)C(=O)CNC(=CC(=C=C)c1ccc(cc1)F)c1ccc(cc1)F	PC-id_89630289	477.569	KVJALEKIFYIPKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146745
C=C=C(c1ccc(cc1)F)/C=C(/c1ccc(cc1)F)NCC(=O)N1CCc2c(CC1)nc(s2)C	SCHEMBL15033164	477.569	KVJALEKIFYIPKX-XYGWBWBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146746
COC(=O)c1c(NC(=O)COC(=O)Cc2ccc(c3ccccc3)cc2)sc2c1CCCCC2	ZINC22_3449820,MCULE-3277456801,PC-id_2570068,CoCoCo_2913693,EMOLS-id_43721494	477.572	IMUAMYOGOKMNLK-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-146747
C[C@@H]1CN(C[C@@H](O1)C)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1F	PC-id_134808693	477.574	FVNVHTZESKUSJX-BGYRXZFFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146748
Cc1cc(c(cc1)C)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c(ccc(c1)[N+](=O)[O-])O	PC-id_137023121	477.575	IMFKFTCSVPKIQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146749
Cc1cc(c(cc1)C)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(c(cc1)O)[N+](=O)[O-]	PC-id_137051393	477.575	CEGDXYANRDWPOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146750
Clc1ccc(S(=O)(=O)NCCCCc2c3-c(ccccc3C(C)C)c(S(=O)(=O)O)c2)cc1	PC-id_9871264	496.039	RFGDZNPLADIDAA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151059
Cc1c(cc(cc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c(ccc(c1)[N+](=O)[O-])O)C	PC-id_137023138	477.575	LDMZOOKWKQAYEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146751
Cc1c(c(ccc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c(ccc(c1)[N+](=O)[O-])O)C	PC-id_137023156	477.575	MGDQKWNCZNZUJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146752
Cc1cc(cc(c1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1c(ccc(c1)[N+](=O)[O-])O)C	PC-id_137047317	477.575	RZHZGDRPWNVKOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146753
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(O)c([N+](=O)[O-])c3)sc3c2CCCCCC3)c1	ZINC22_408970990	477.575	CEGDXYANRDWPOY-JFLMPSFJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146754
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cc([N+](=O)[O-])ccc3O)sc3c2CCCCCC3)c1	ZINC22_409012516	477.575	IMFKFTCSVPKIQF-JFLMPSFJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146755
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3cc([N+](=O)[O-])ccc3O)sc3c2CCCCCC3)c1	ZINC22_409017537	477.575	RZHZGDRPWNVKOH-JFLMPSFJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146756
Cc1cccc(NC(=O)c2c(/N=C/c3cc([N+](=O)[O-])ccc3O)sc3c2CCCCCC3)c1C	ZINC22_409014148	477.575	MGDQKWNCZNZUJG-JFLMPSFJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146757
Cc1ccc(NC(=O)c2c(/N=C/c3cc([N+](=O)[O-])ccc3O)sc3c2CCCCCC3)cc1C	ZINC22_409013646	477.575	LDMZOOKWKQAYEW-JFLMPSFJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146758
S(=O)(=O)(N1CCCCC1)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(OCC)cc1	PC-id_55576928	477.577	ZRCRRGPFIQMGPN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146759
O1c2cc(CC(C[NH+]3CCn4c(nnc4CNC(=O)CCc4cccnc4)CC3)C)ccc2OC1	PC-id_74498834	477.579	GHDPUIVUDZCHNW-UHFFFAOYSA-O	00000010100000101101000000001010000000000000000000000000	31-01-146760
O1c2cc(C[C@H](C[NH+]3CCn4c(nnc4CNC(=O)CCc4cccnc4)CC3)C)ccc2OC1	PC-id_26345114	477.579	GHDPUIVUDZCHNW-LJQANCHMSA-O	00000010100000101101000000001010000000000000000000000000	31-01-146761
O1c2cc(C[C@@H](C[NH+]3CCn4c(nnc4CNC(=O)CCc4cccnc4)CC3)C)ccc2OC1	PC-id_26345119	477.579	GHDPUIVUDZCHNW-IBGZPJMESA-O	00000010100000101101000000001010000000000000000000000000	31-01-146762
O=C(NC(c1n2CC[NH+](CCc2nn1)CC=Cc1cc(OC)c(O)cc1)C(C)C)c1ncccc1	PC-id_74779901	477.579	YTLQFPPMLHTMAE-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-146763
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1cc(OC)c(O)cc1)C(C)C)c1ncccc1	PC-id_42163152	477.579	YTLQFPPMLHTMAE-JXSPYEIYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-146764
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C=C/c1cc(OC)c(O)cc1)C(C)C)c1ncccc1	PC-id_42163154	477.579	YTLQFPPMLHTMAE-DGQXCUQSSA-O	00000000100000111101000000000010000000000000000000000000	31-01-146765
CC(Nc1cc(ncc1C(=O)NCC1CCn2c(CC1)nnn2)Nc1ccc2c(c1)scn2)C	PC-id_144624824	477.585	HCMXMSLOAFVEDY-UHFFFAOYSA-N	00000000100000101101000001000010000000000000000000000000	31-01-146766
OCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccccc1)S(=O)(=O)O)C	PC-id_139605631	477.594	ZTOUCJXRVWFQTQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146767
OS(=O)(=O)c1cc(c2-c1ccc(cc2)C(O)(C)C)CCCCNS(=O)(=O)c1ccccc1	PC-id_139605603	477.594	RMVLPCROOUCFQJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146768
S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C(=O)COC(=O)c1sc2CCCCCCc2c1	PC-id_24341570	477.594	DHERYGOTIBLBRR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146769
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)sc2c(CCCCC2)c1C(=O)NC	PC-id_16825450,GD-id_ZINC09599753,CoCoCo_5058671,ZINC22_9599753,EMOLS-id_5523527,MCULE-9914981439	477.597	FWGLLQMPBAJOHZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146770
Cc1ccc(c(c1)C)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccn2C	PC-id_139709935	477.597	FJHNILHMZVYZNF-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-146771
Cc1cc(cc(c1)C)CN1CCc2c(/C(=C/c3ccccc3)/C1=O)n(cn2)COCc1ccccc1	PC-id_145975132	477.597	IXJRCMSGBQLDHJ-VEILYXNESA-N	00000000100000110101000000000010000000000000000000000000	31-01-146772
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_12991832,PC-id_25654165,EMOLS-id_16688386,CoCoCo_3250498,MCULE-6404091072	477.597	PTUHMPNTNQPIRY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146773
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2ccc(N3CCCC3)cc2)cc1	PC-id_42472460	477.597	ZZJHMZXMOVRSHU-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-146774
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(cc1)C(=O)C	PC-id_25443650	477.597	DARJHRSMZBTIFF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146775
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c([N+](=O)[O-])cc(OCC)cc1)C(=O)OCC	PC-id_20411974	477.597	IZBYPABCAFBRPR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146776
S(=O)(=O)(N1CCCC1)c1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)ccc1OC	PC-id_55334254	477.597	LJLVXBRTNLDAIU-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-146777
S(=O)(=O)(N1CCCC1)c1c(OC)ccc(c1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_26778422	477.597	AEHALGQDIGLIIQ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-146778
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1ccc(OC)cc1	PC-id_16923971	477.597	KBEDGAMRAAJVGN-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-146779
S(=O)(=O)(N1CCOCC1)c1cc(ccc1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_24642815	477.597	NDLWUAHPMMJMCM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146780
S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_24643146	477.597	PUJWIFCAZXCQDA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146781
S(=O)(=O)(NC1CC1)c1c(OC)ccc(c1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_24462200	477.597	PMLUDTGCXZOOAC-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-146782
S(=O)(=O)(NCC1OCCC1)c1cc(ccc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_24644259	477.597	DXQUUBIKAPZLRO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-146783
S(=O)(=O)(NC[C@H]1OCCC1)c1cc(ccc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_30544730	477.597	DXQUUBIKAPZLRO-KRWDZBQOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-146784
S(=O)(=O)(NC[C@@H]1OCCC1)c1cc(ccc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_30544731	477.597	DXQUUBIKAPZLRO-QGZVFWFLSA-N	00000010100000110100000000000010000000000000000000000000	31-01-146785
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(cc3)OCc3ccccc3)CCn12	EMOLS-id_20395462,PC-id_45169360,MCULE-6908425731	477.598	BANOGZARKTZRFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146786
c1(C(C(C)C)NC(=O)COC)nnc2CCN(Cc3cccc(c3)OCc3ccccc3)CCn12	PC-id_45186136,EMOLS-id_20467739,MCULE-3304595174	477.598	NJNKLUIWRDHUJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146787
C1CN(CCC1C)C(=O)C1CCN(CC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	MCULE-7254735760,PC-id_46049502,EMOLS-id_25387066	477.598	OQBQHDRWQFNBCK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146788
C1(NC(=O)C2CCN(CC2)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CCCCC1	MCULE-3550793185,PC-id_46049484,EMOLS-id_25387056	477.598	DPHLANLSXWIZFI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146789
COc1cc(CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)ccc1OCc1ccccc1	CoCoCo_1299669,PC-id_42349474,ZINC22_12005458,EMOLS-id_20519639,CoCoCo_1299670,MCULE-9718417409	477.598	AACOBTQBVDAQBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146790
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cccc(OCc3ccccc3)c1)CC2)C(C)C	PC-id_42164129,CoCoCo_1225153,ZINC22_11784034,CoCoCo_1225152	477.598	NJNKLUIWRDHUJV-AREMUKBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146791
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1cccc(OCc3ccccc3)c1)CC2)C(C)C	ZINC22_11784033,PC-id_42164127,CoCoCo_1225155,CoCoCo_1225154	477.598	NJNKLUIWRDHUJV-SANMLTNESA-N	00000000100000110101000000000010000000000000000000000000	31-01-146792
COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2)C(C)C	CoCoCo_1125723,ZINC22_11881470,PC-id_42247410,CoCoCo_1125724	477.598	BANOGZARKTZRFM-AREMUKBSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146793
COCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2)C(C)C	ZINC22_11881469,PC-id_42247408,CoCoCo_1125726,CoCoCo_1125725	477.598	BANOGZARKTZRFM-SANMLTNESA-N	00000000100000110101000000000010000000000000000000000000	31-01-146794
S(=O)(=O)(N1CCc2c1cccc2)c1ccc(C(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_24125354	477.598	WCEGUAQHUHNQSA-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-146795
O=C(N1CCCC[C@@H]1C(=O)NC1CCCCC1)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93331920	477.599	PPJKEQUSEKDJNW-HSZRJFAPSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146796
O=C(N1CCCC[C@H]1C(=O)NC1CCCCC1)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93331921	477.599	PPJKEQUSEKDJNW-QHCPKHFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146797
O=C(N(C1CC1)CCC(=O)NC1CCCCC1)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049956	477.599	NSKGRONKFWPOMJ-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-146798
O=C(NC1CCCCC1)C1N(CCCC1)C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049470	477.599	PPJKEQUSEKDJNW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146799
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc4n3CCCCC4)CC2)cc1	EMOLS-id_11937847,ZINC22_8937838,CoCoCo_4054326,MCULE-1588473404,PC-id_17551429	477.6	TZAYFDGXGHAMGL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146800
O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=C)O)CSc1nnc2n1CCCCC2	CoCoCo_4054327	477.6	ZEPRUKYNNVUQQB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146801
CCn1ncc2c1N=CC(=C(C2)NC1CCN(CC1)C(=O)N)C(=O)NCC1=CC=CC(C(=C1)C)C	PC-id_143109047	477.602	LVJRZJMIIXQDRY-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-146802
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3ccoc3)C(C)C)CC2)cnc1c1ccccc1	PC-id_42436143	477.602	OJBGCYOAJINTHQ-JOCHJYFZSA-O	00000000101000110101100000000010000000000000000000000000	31-01-146803
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ccoc3)C(C)C)CC2)cnc1c1ccccc1	PC-id_42436145	477.602	OJBGCYOAJINTHQ-QFIPXVFZSA-O	00000000101000110101100000000010000000000000000000000000	31-01-146804
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3ccoc3)C(C)C)CC2)cnc1c1ccccc1	PC-id_74803354	477.602	OJBGCYOAJINTHQ-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-146805
c1(c2CCCCCc2sc1NC(=O)CNCCc1ccccc1)C(=O)Nc1ccccc1OC	CoCoCo_6724293,ZINC22_15946951,EMOLS-id_2785870,PC-id_3735720,MCULE-3900244977,TIMTEC201190	477.618	HSLGHFZLCYDNCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146806
s1c2CCCCCCCCCCc2c(c1NC(=O)C(N1C(=O)c2c(C1=O)cccc2)CC)C#N	PC-id_24161468	477.618	NUIXDLMNZXHZNX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-146807
s1c2N(CCCCc2nc1/C=C/c1ccccc1)C(=O)CNCCc1cc(OC)c(OC)cc1	PC-id_15069598	477.618	LZAOGGNMSQZWDZ-WYMLVPIESA-N	00000000100000110101000000000010000000000000000000000000	31-01-146808
s1c2N(CCCCc2nc1C=Cc1ccccc1)C(=O)CNCCc1cc(OC)c(OC)cc1	PC-id_54060037	477.618	LZAOGGNMSQZWDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146809
COc1cccc(CNC(=O)c2nc3CCN(CCc3s2)S(=O)(=O)c2sccc2C)c1	EMOLS-id_313793336,ZINC22_1260064836	477.62	SMMUFGVTJLRBBB-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-146810
COc1ccc(CNC(=O)c2nc3CCN(CCc3s2)S(=O)(=O)c2sccc2C)cc1	ZINC22_1260064428,EMOLS-id_313793079	477.62	MAKRCHQPJGYVGN-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-146811
s1c2CCCCCc2nc1NC(=O)COc1ccc(N(S(=O)(=O)c2sccc2)C)cc1	PC-id_25541132	477.62	IXXSFKALYLLPBJ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-146812
c1(NC(=O)Cn2c(=O)ccc(N3CCC(CC3)Cc3ccccc3)n2)sc2c(CCCCC2)n1	MCULE-1856475972,EMOLS-id_323452537	477.622	UWMSZQPHHWLCNW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146813
COc1cccc(c1)C(=O)Nc1nc2CCN(Cc3ccccc3N3CCNCC3)CCc2s1	ChEMBL-DNDi_CHEMBL588369,ChEMBL-DNDi_CHEMBL526742,CHEMBL588369,PC-id_44526859	477.622	CWCZGDVMDNWYDC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146814
O=CC1CN(CC(=O)N1Cc1ccc(cc1)C(=N)N(C)C)Sc1cc2c([nH]1)C=CC(=CC2)CC	PC-id_142132291	477.622	HHKGORCICWVTEK-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-146815
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1)C)COc1ccccc1	PC-id_74793802	477.622	NZHSZIZFTNUXFS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146816
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1)C)COc1ccccc1	PC-id_42382599	477.622	NZHSZIZFTNUXFS-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146817
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(CC)CC)cc1)C)COc1ccccc1	PC-id_42382604	477.622	NZHSZIZFTNUXFS-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146818
S(c1n2CCCCCc2nn1)CC(=O)N(CCCCC)c1c(n(CCCC)c(=O)[nH]c1=O)N	PC-id_24371227	477.623	XQAWMUZYXHBJOS-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-146819
S(CC(=O)N(C1CCCC1)C1C(N(CCCC)C(=O)NC1=O)N)c1n2CCCCCc2nn1	PC-id_73249868	477.623	WEXCLUPLBKGPDR-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-146820
c1(sc2c(CCCCCCCCCC2)c1C(=O)N)NS(=O)(=O)c1ccc(cc1)NC(=O)C	EMOLS-id_4158335,PC-id_4398860,TIMTEC387863,MCULE-8076074114,CoCoCo_6815510,ZINC22_2763407	477.64	PSIARHOOGFGUJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146821
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1	PC-id_31846372	477.64	HYPWHKDBQWHAQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146822
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)C)cc1)C(=O)NC	PC-id_42388425	477.64	PCRYTVMRJRBPEL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146823
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)CC)cc1)C(=O)N	PC-id_23739113	477.64	XHWPVBJYQPFAGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146824
s1c2c(CCCCC2)c(c1NC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1)C(=O)N	PC-id_55395732	477.64	LTDUTHBCKILBOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146826
N=CC1=C(S)Cc2c(CCC1)c(sc2Oc1cccnc1C)C(=O)Nc1ccc(cc1)CC	SCHEMBL18533535	477.641	WNCARFJEPOSZGH-UHFFFAOYSA-N	00000000100000111110000000000010000000000000000000000000	31-01-146827
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(C(=O)CC3=CCCCC3)CCn12	MCULE-1172623611,PC-id_45220728,ChEMBL-DNDi_CHEMBL55376179,EMOLS-id_20617633	477.642	QLZMPEQIYJDWDC-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-146828
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(C(=O)CC2=CCCCC2)CC3)c1	CoCoCo_1444544,PC-id_26322175,ZINC22_14960670	477.642	QLZMPEQIYJDWDC-XMMPIXPASA-N	00000000100011110101000000000010000000000000000000000000	31-01-146829
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(C(=O)CC2=CCCCC2)CC3)c1	PC-id_26322178,ZINC22_14960674,CoCoCo_1444545	477.642	QLZMPEQIYJDWDC-DEOSSOPVSA-N	00000000100011110101000000000010000000000000000000000000	31-01-146830
C/C=C(C=C
/CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)OCCCC1CCNCC1)/C	PC-id_143188688	477.642	MDUPJUGVMFUVHN-FPEPXCDQSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146831
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1	ZINC22_14129640,CoCoCo_4054342,PC-id_16351797,EMOLS-id_11796703,MCULE-5443298098	477.643	YWTINLNKYMRNAN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146832
S(=O)(=O)(N1CCCCCC1)c1c(ccc(NC(=O)CSc2n3CCCCCc3nn2)c1)C	PC-id_24371236	477.643	DLSXHNDUDJOHCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146833
C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4175437,PC-id_41189034,ZINC22_9727932	477.645	FQFCLEZSYRWJOJ-INIZCTEOSA-N	00100000100000110101100000000010000000000000000000000000	31-01-146834
C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9727935,PC-id_41189036,CoCoCo_4175438	477.645	FQFCLEZSYRWJOJ-MRXNPFEDSA-N	00100000100000110101100000000010000000000000000000000000	31-01-146835
N#Cc1c(NC(=O)C(Sc2nnc(n2Cc2ccccc2)C2CC2)C)sc2c1CCCCC2	EMOLS-id_11766183,MCULE-2304525072,PC-id_16329538	477.645	FQFCLEZSYRWJOJ-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-146836
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC=C)C#N	PC-id_20124571	477.645	HDGGYHRZVZYEDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146837
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC=C)C#N	PC-id_17301609	477.645	ABJRLCNXMVXUML-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146838
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC=C)C#N	PC-id_19729895	477.645	FMPKHTALMGATNN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146839
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC=C)C#N	PC-id_19730087	477.645	QMHUEHOPXNEGDD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146840
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC=C)C#N	PC-id_20123645	477.645	IQGKKSCWCWEDML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146841
c1(NC(=O)C2CCCCC2C(=O)O)sc2c(CCCCCCCCCCC2)c1C(=O)OCC	TIMTEC370054,MCULE-7143865222,PC-id_4625082,EMOLS-id_4158341,SPECS-id_AK-968/41924462	477.657	OYNOMTLDRSZHCB-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-146842
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2	CoCoCo_6813891,PC-id_40737977,ZINC22_8455538	477.657	OYNOMTLDRSZHCB-RBUKOAKNSA-N	00000000100010000100000000000010000000000000000000000000	31-01-146843
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	CoCoCo_6813892,ZINC22_8455536,PC-id_40737973	477.657	OYNOMTLDRSZHCB-OALUTQOASA-N	00000000100010000100000000000010000000000000000000000000	31-01-146844
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	CoCoCo_6813893,PC-id_40737971,ZINC22_8455535	477.657	OYNOMTLDRSZHCB-MOPGFXCFSA-N	00000000100010000100000000000010000000000000000000000000	31-01-146845
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2	PC-id_40737975,CoCoCo_6813890,ZINC22_8455537	477.657	OYNOMTLDRSZHCB-RTBURBONSA-N	00000000100010000100000000000010000000000000000000000000	31-01-146846
C=C(C1CCCN1C(=O)c1ccccc1)Nc1c(c2c(s1)CCCCC2)C(=O)N1CCCCC1	PC-id_89513903	477.661	LSIZPGXNIXVAJJ-UHFFFAOYSA-N	00000010100010110100000000000010000000000000000000000000	31-01-146847
C=C([C@H]1CCCN1C(=O)c1ccccc1)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2	SCHEMBL14878983	477.661	LSIZPGXNIXVAJJ-HSZRJFAPSA-N	00000010100010110100000000000010000000000000000000000000	31-01-146848
c1(NC(=S)NNC(=O)c2cc3c(CCCCC3)s2)sc2c(CCC(C)C2)c1C(=O)OC	EMOLS-id_4158347,TIMTEC108520,PC-id_3256830,MCULE-1402527432	477.663	CSRYDDJYDWRJML-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-146849
c1(NC(=S)NNC(=O)c2csc3CCCCc23)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3268005,EMOLS-id_4158345,CoCoCo_6799909,TIMTEC194495,MCULE-8140163969	477.663	HKXHGOUPYAYATO-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-146850
COC(=O)c1c(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)sc2c1CC[C@@H](C2)C	CoCoCo_6798854,PC-id_29050333	477.663	CSRYDDJYDWRJML-LBPRGKRZSA-N	00000000100010000100000000010010000000000000000000000000	31-01-146851
COC(=O)c1c(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)sc2c1CC[C@H](C2)C	PC-id_29050336,CoCoCo_6798855	477.663	CSRYDDJYDWRJML-GFCCVEGCSA-N	00000000100010000100000000010010000000000000000000000000	31-01-146852
CCCNC/C(=C(CN=C(NCC(c1ccccc1)O)NC)/C)/c1nc2c(s1)C=C=CC=CC2	PC-id_143946290	477.665	TVAWJSUYOFYJDQ-JXQAMSHBSA-N	00000000100000110111000000000010000000000000000000000000	31-01-146853
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc(N2CCN(CC3CC3)CC2)ccc1)C)C#N	PC-id_56067015	477.665	PBWDHQWXDDKCPZ-UHFFFAOYSA-N	00100000100010110101100000000010000000000000000000000000	31-01-146854
CCCCCCC1CCN(CC1)CCCCn1ccc2c1C(=O)N(CCC2=O)Cc1ccccc1	PC-id_67882932,SCHEMBL9580851	477.681	CVRWQDLYTJBCCV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146855
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc(Cl)c(Cl)c1	PC-id_20415756	477.855	ZKNFLEDJKKWFJJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146856
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc(Cl)c(Cl)c1	PC-id_20415749	477.855	XUROZMYSNIVIPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146857
Clc1c(S(=O)(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc(cc1)C(F)(F)F	PC-id_46688915	477.931	AOBBFFMSFWWGQZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146858
Clc1ccc(cc1)C(=O)N1CC(=O)N(c2c(C1)n[nH]c2)Cc1ccc(cc1)C(=O)N1CCCC1	PC-id_22632498,SCHEMBL6780966	477.943	LZXHAOOGXJOWQK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-146859
Clc1c(NC(=O)COc2c(OC)cc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cccc1	PC-id_36112120	477.943	WXAZTEZVLIIAKV-QGOAFFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-146860
Clc1c(NC(=O)COc2c(OC)cc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cccc1	PC-id_74648261	477.943	WXAZTEZVLIIAKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146861
Clc1c(c2oc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)c4cccnc4)C)CC3)cc2)cccc1	PC-id_42341136	477.966	FVYVHTRRAJMLEU-QGZVFWFLSA-O	00000000101000111101100000000010000000000000000000000000	31-01-146862
Clc1c(c2oc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)c4cccnc4)C)CC3)cc2)cccc1	PC-id_42341137	477.966	FVYVHTRRAJMLEU-KRWDZBQOSA-O	00000000101000111101100000000010000000000000000000000000	31-01-146863
Clc1c(c2oc(C[NH+]3CCn4c(nnc4C(NC(=O)c4cccnc4)C)CC3)cc2)cccc1	PC-id_74844242	477.966	FVYVHTRRAJMLEU-UHFFFAOYSA-O	00000000101000111101100000000010000000000000000000000000	31-01-146864
Clc1c2c(sc1C(=O)OCC(=O)Nc1sc3c(CCCCC3)c1C(=O)OC)cccc2	PC-id_4688772	477.981	YNZMAJCNOQIJCM-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-146865
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(c(OC)c3Cl)OC)CCn12	PC-id_45195209,EMOLS-id_20507445,MCULE-7687149069	477.984	AACFJIMIXVYVBD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146866
Clc1c(c2oc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)cccc1	PC-id_3286870	477.984	XZPKBXBEIYLSCP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146867
Clc1cc(c2oc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)ccc1	PC-id_4525260	477.984	WPYDYZOEPOBKGZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146868
Clc1ccc(c2oc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)cc1	PC-id_4196710	477.984	OOHDTOUHDMOOFP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146869
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)c(Cl)c1OC	ZINC22_20774646,CoCoCo_1282003,CoCoCo_1282002,PC-id_29149771	477.984	AACFJIMIXVYVBD-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146870
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)c(Cl)c1OC	ZINC22_20774649,CoCoCo_1282005,PC-id_29149772,CoCoCo_1282004	477.984	AACFJIMIXVYVBD-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146871
Clc1c(c2oc(CN3CCn4c(nnc4CC3)C(NS(=O)(=O)C)C(C)C)cc2)cccc1	PC-id_45167462	478.007	WXIZBZDJSRRJOI-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-146872
Clc1ccc(cc1)c1ccc(o1)CN1CCn2c(CC1)nnc2C(C(C)C)NS(=O)(=O)C	ChEMBL-DNDi_CHEMBL33021446	478.007	HVSAYNHQJWTTNY-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-146873
Clc1cccc(c1)c1ccc(o1)CN1CCn2c(CC1)nnc2C(C(C)C)NS(=O)(=O)C	ChEMBL-DNDi_CHEMBL72166442	478.007	JENPDCGYJBWSSX-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-146874
Clc1ccc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C#N)cc1	PC-id_16861577	478.027	VQZFZLVSLRWLQN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146875
Clc1ccc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3c(CCCCC3)c2C#N)cc1	PC-id_41828692	478.027	CGILZJKYDPBHJP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-146876
Clc1c(n(nc1C)Cc1cc(sc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_19494672	478.027	HTYYCKNFAYQPAQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-146877
Clc1ccc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_20175879	478.07	VUUMMNHBOXGSGN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146878
Clc1ccc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_19654497	478.07	ATXPLYAUANEVEU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146879
Clc1ccc(S(=O)(=O)NCCCCc2c3-c(c(OS(=O)O)c2)ccc(cc3)CCC)cc1	PC-id_69759236	496.039	ZNAUDLRSBNULOO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151060
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_20175542	478.07	FTOINPSFFBRSIX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146880
Clc1ccc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_19654490	478.07	HRSZTRIYCCNJCD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146881
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)c(cc1)C	PC-id_19655048	478.07	IFNPMLXPMHYAKM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146882
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_19654627	478.07	RCZVLHCBSHKRGN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146883
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1	PC-id_20175170	478.07	YRVMRZCOCAPTCU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146884
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_19654620	478.07	XRTJPEMVERZAGD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146885
CC1=C(N2CCCCCC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=NC=C3)Cl	PC-id_155278739	478.105	KLINFRBOINLLMC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-146886
CN1C=C2C(=C1C(=O)NC3=CC(=C(C(=C3)F)F)F)C=C[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)F	PC-id_154991278	478.109	BQPBGCHCOGQPNM-PXYRPBPISA-N	00000000100000110111000000000010000000000000000000000000	31-01-146887
CC(C)(C#CC(C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)F	PC-id_154682278	478.112	ANMDZWGDZXNVMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146888
CC(C)(C#CC([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)F	PC-id_154682317	478.112	ANMDZWGDZXNVMW-AAFJCEBUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146889
CC(C)(C#CC([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)F	PC-id_155258028	478.112	ANMDZWGDZXNVMW-VYRBHSGPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146890
CC(C)(C#C[C@@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)F	PC-id_154682257	478.112	ANMDZWGDZXNVMW-CVEARBPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146891
CC(C)(C#C[C@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)F	PC-id_155061982	478.112	ANMDZWGDZXNVMW-HZPDHXFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146892
CC(C)(C#C[C@H]([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)F	PC-id_155257983	478.112	ANMDZWGDZXNVMW-JKSUJKDBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146893
CC(C)(C#C[C@@H]([C@@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)O)F	PC-id_155257987	478.112	ANMDZWGDZXNVMW-HOTGVXAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146894
CC(C)(C#CC(C1COC2=C(N(C=C2S(=O)(=O)N1)C)C(NC3=CC(=C(C=C3)F)C#N)O)O)O	PC-id_155062096	478.132	RISKQVCJCDWWJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146895
CC(C)(C#C[C@@H]([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(NC3=CC(=C(C=C3)F)C#N)O)O)O	PC-id_155062069	478.132	RISKQVCJCDWWJD-BUWRGNEYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146896
CC(=O)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2CCCN(C3=C2C=NN3C)C(=O)O	PC-id_153794649	478.144	ITPJPVDRKMAYBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146897
Brc1cc(sc1Br)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N	PC-id_60388222	478.222	CQEGYEGOJCPUBG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-146898
CN1C2=CC(=NN2CC[C@@H](C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4)CCN5CCOCC5	PC-id_154021416	478.244	VMRPLNKOEJYNQR-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-146899
CN1C2=CC(=NN2CC[C@H](C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4)CCN5CCOCC5	PC-id_154021417	478.244	VMRPLNKOEJYNQR-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146900
CC(C)(C)OCN1CCCC2=C(C1)C(=NN2)C(=O)N3CCC(CC3)C4=CC=CC=C4C(F)(F)F	PC-id_153512487	478.256	FTNYYKZGUHPZBM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-146901
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3CCN(CC3)C(=O)OC	PC-id_155171372	478.279	ANURLOJGZMTNKS-QGZVFWFLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-146902
C1CCCCC[C@H](CC(=O)C2=CC=C(N2)C(=O)CCCCC1)C(=O)N[C@@H](CC3=CC=CC=C3)C=O	PC-id_162002938	478.283	ZRCTUQRQQZLSIM-RPWUZVMVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146903
Brc1c([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_45658279	478.316	QXORNSKNWBHULQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146904
c1(NC(=O)c2ccc(Cn3cc(cn3)Br)o2)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_5830432,ZINC22_2762027,PC-id_4670633,EMOLS-id_4158571,MCULE-7019189680,TIMTEC221037	478.359	IOIWCXHHNYVNBU-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-146905
Brc1c(OC)cc(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)cc1OC	PC-id_46534092	478.383	YHVKRSJDXHSJDW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146906
CCOC(=O)c1cn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460776,SCHEMBL16100076	478.385	OLVVOYOFYOPKLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146907
CCOC(=O)c1nn2c(c1)CN(CCC2)C(=O)CNc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460556,SCHEMBL16099794	478.388	GBJPSEZPHJJZRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146908
CCOC(=O)c1nn2c(c1)CN(CCC2)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16093927,PC-id_90455979	478.388	WGKLLAHFNRNRHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146909
O=CC(Nc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	PC-id_144720787	478.388	TUZFQKRKWOODIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146910
c1(NC(=O)c2c(C)onc2c2c(cccc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)N	MCULE-1470778095,EMOLS-id_2369228,CoCoCo_684773,ZINC22_2737475,TIMTEC302264,PC-id_2163555	478.391	MAYWFZDBXSQOKR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146911
Cc1ccc(cc1)S(=O)(=O)N/C=C(/c1ccc2-c1ccccc2)c1ccccc1Br	PC-id_102367286	478.401	YRSRXMKRLCVZIV-ULJHMMPZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146912
Cc1ccc(cc1)S(=O)(=O)NC=C(c1ccc2-c1ccccc2)c1ccccc1Br	PC-id_142734122	478.401	YRSRXMKRLCVZIV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146913
CCOC(=O)[C@](Cc1cccc(c1)Br)(CCCCn1cnc2c1NC=[NH+]C[C@@H]2O)C	GD-id_ZINC13807357	478.403	BTUQTKOHXNERTJ-AVRDEDQJSA-O	00000000100000110111000000000010000000000000000000000000	31-01-146914
N#Cc1c(NC(=O)CSc2nc(c3ccc(Cl)cc3Cl)n[nH]2)sc2c1CCCCC2	CoCoCo_3116464,MCULE-3355107529,CoCoCo_3116463,CoCoCo_3116462,CoCoCo_3116465,EMOLS-id_3269193,ZINC22_12539165,PC-id_4544382	478.418	MSGPMAWYSDSIPY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146915
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(F)cc3)CC2)cc1	PC-id_42498889	478.463	SVMAALFQCICUKK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-146918
Cc1c(cc(cc1)NC(=O)Nc1ccccc1C(F)(F)F)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478295	478.466	JHPXDYBOLQAYSF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146919
Cc1c(cc(cc1)NC(=O)Nc1ccc(cc1)C(F)(F)F)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478296	478.466	DCKZTBOPJGENRK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146920
O=C(Nc1ccccc1C(F)(F)F)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076955	478.466	JHPXDYBOLQAYSF-OKCVXOCRSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146921
O=C(Nc1ccc(cc1)C(F)(F)F)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076956	478.466	DCKZTBOPJGENRK-OKCVXOCRSA-N	00000010100000110110000000000010000000000000000000000000	31-01-146922
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(nn(c1)CC)C(=O)NCc1occc1	PC-id_19523795	478.468	XDZSOFIIMHYNTE-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-146923
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(n(nc1)C)C(=O)Nc1c(n(nc1)C)C	PC-id_19523841	478.471	RPKIQJAAAAMTRR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146924
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(n(nc1)C)C(=O)NCc1cn(nc1)C	PC-id_19523842	478.471	FUCIASXGGUUNOB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146925
CCOCCON(C)C(=O)Cc1ccc2-c(c(c(c2OC(=O)OCC)N)OC(=O)OCC)cc1	PC-id_88125489,SCHEMBL7304931	478.492	JSGVPLPDQNBRIA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-146926
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)NOC(OCC)(C)C	SCHEMBL7315483,PC-id_88126813	478.492	UFENMDBUTPGNEO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-146927
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(F)c(F)c(F)c(F)c1F)C(=O)OCC	PC-id_20413259	478.499	SZYMMIAQTZPUDR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146928
O=C(c1ccc(cc1)OCCN1CCOCC1)N1C=C(C)c2c(C(C1)(C)C)c(n[nH]2)C(F)(F)F	SCHEMBL19663871	478.507	VDVWYIJHNNVKAJ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-146929
c1nc(CCNC(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2ccc(cc2)F)C3=O)ccc1	PC-id_46049812,MCULE-6554566126,EMOLS-id_25388488	478.519	GELDUELDXHMKLD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146930
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCCc2ncccc2)cc1	PC-id_46049833,EMOLS-id_25388510,MCULE-9851223496	478.519	GTBNEPODGPXCQU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146931
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCCc2ncccc2)C)cc1	PC-id_46049796	478.519	ALIFIWBEZPLWHG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146932
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)NCCc1ccccn1	PC-id_92986951	478.519	ALIFIWBEZPLWHG-KRWDZBQOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146933
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)NCCc1ccccn1	PC-id_92986952	478.519	ALIFIWBEZPLWHG-QGZVFWFLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-146934
O=C(c1nn(c(n1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)N)N1CCc2c(CC1)con2	PC-id_59532136,SCHEMBL13100137	478.524	MFCBDAHVMYZHDA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-146935
CCOC(=O)[C@@](C(F)(F)F)(Nc1sc2c(c1C(=O)OC)CCCCC2)NC(=O)CC(C)C	PC-id_93531745	478.526	WNNJAKHDWPYFID-FQEVSTJZSA-N	00000000100000000100000000000010000000000000000000000000	31-01-146936
CCOC(=O)[C@](C(F)(F)F)(Nc1sc2c(c1C(=O)OC)CCCCC2)NC(=O)CC(C)C	PC-id_93531746	478.526	WNNJAKHDWPYFID-HXUWFJFHSA-N	00000000100000000100000000000010000000000000000000000000	31-01-146937
CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)OC)CCCCC2)NC(=O)CC(C)C	TIMTEC21440,PC-id_45034110	478.526	WNNJAKHDWPYFID-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-146938
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-8930278597,CoCoCo_3583297,ZINC22_3584917,EMOLS-id_11683030,CoCoCo_3583298,PC-id_2698588	478.53	IXCFQECUQYMOSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146939
s1c2CCCCCc2c(c1NC(=O)CN(CC(=O)Nc1c(cccc1)C(F)(F)F)CC)C#N	PC-id_24428149	478.53	GJXWITMZNSMHCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146940
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(OC)c(c(OC)c1)OC)c2)Cc1ccc(cc1)C	EMOLS-id_32632814,PC-id_16028394,MCULE-6471927128,CHEMBL1572285	478.54	CNXJXHXUJSNZAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146941
CCN1CCc2c(CC1)nc(o2)NC(=O)c1cccc(c1)CNC(=O)c1ccc(c(c1)OC)OC	PC-id_59190776,SCHEMBL307467	478.54	PVAPSVGVWCVTJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146942
s1c2c(CCCCC2)c(c1NC(=O)CSC1=NC(=O)/C(=N/C(=O)C)/C(=O)N1)C(=O)OCC	PC-id_73629301	478.542	IAGUXRGJQCZRQT-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-146943
s1c(nc2c1cccc2)CCC(=O)N1CCn2c(nnc2CNC(=O)c2cc(F)ccc2)CC1	PC-id_56858866	478.542	AYLCWUCDZBBLSE-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-146944
O=C(c1ccc(cc1)C(=O)N/N=C/c1ccc2c(c1)cc[nH]2)N/N=C/C1=Cc2cc[nH]c2CCCC1	PC-id_143915671	478.545	YZGWSNWTPWJMRR-HQIVOGCFSA-N	00000000100000110110000001100010000000000000000000000000	31-01-146945
COC1CN(C1)CCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL19641455	478.547	CLSMMDWMYWYEHG-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-146946
COC1CN(C1)CCc1nn2c(c1)N(C)C(=O)[C@@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367399	478.547	CLSMMDWMYWYEHG-HXUWFJFHSA-N	00001000100000110101000000000010000000000000000000000000	31-01-146947
COC1CN(C1)CCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367400	478.547	CLSMMDWMYWYEHG-FQEVSTJZSA-N	00001000100000110101000000000010000000000000000000000000	31-01-146948
O=C1C(CCn2c(N1C)cc(n2)CCN1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL19641489	478.547	HCCZTTLLSPENDH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146949
O=C1[C@@H](CCn2c(N1C)cc(n2)CCN1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367380	478.547	HCCZTTLLSPENDH-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146950
O=C1[C@H](CCn2c(N1C)cc(n2)CCN1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367385	478.547	HCCZTTLLSPENDH-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146951
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNCc1nccnc1)Cc1ccccc1C#N	PC-id_134810767	478.548	DSLZJMMISPBJRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146952
N#Cc1c(NC(=O)[C@@H]([NH+]2CCN(CC2)c2ccc(cn2)C(F)(F)F)C)sc2c1CCCCC2	PC-id_31397378,GD-id_ZINC23873257	478.554	HNPYEFPGNIJWNO-HNNXBMFYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-146953
s1c2c(CCCCC2)c(c1NC(=O)CC[NH+]1CCN(CC1)c1ncc(cc1)C(F)(F)F)C#N	PC-id_25685233	478.554	LBRNLOUUOUQKSF-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-146954
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1ncc(cc1)C(F)(F)F)C)C#N	PC-id_31397376	478.554	HNPYEFPGNIJWNO-OAHLLOKOSA-O	00000000100010101101100000000010000000000000000000000000	31-01-146955
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1ncc(cc1)C(F)(F)F)C)C#N	PC-id_74614259	478.554	HNPYEFPGNIJWNO-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-146956
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)Nc1c(OC)cccc1	PC-id_45647896	478.56	PRWYNHKYVMRNFF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146957
s1c(c2OCCCOc2c1C(=O)NC(CS)C(=O)OC)C(=O)NC(CS)C(=O)OC	PC-id_58451844,SCHEMBL12308173	478.56	YSYGZSLFPQEXRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146958
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNc1cc(ccc1)F)CCN1CCOCC1	PC-id_134805602	478.562	WMVUMVRKSZHVLK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146959
CCCn1c(N)c(N(CCOC)C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(=O)[nH]c1=O	ZINC22_13040113,MCULE-1821102476,PC-id_25686864,CoCoCo_2861408,EMOLS-id_24168293	478.562	OPBNQGXJMOCPIB-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-146960
O1c2cc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)CCc4ccccc4)C)CC3)cc(OC)c2OC1	PC-id_42342841	478.563	CHZPYSIMRVMSPY-GOSISDBHSA-O	00000010100000110101000000001010000000000000000000000000	31-01-146961
O1c2cc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)CCc4ccccc4)C)CC3)cc(OC)c2OC1	PC-id_42342848	478.563	CHZPYSIMRVMSPY-SFHVURJKSA-O	00000010100000110101000000001010000000000000000000000000	31-01-146962
O1c2cc(C[NH+]3CCn4c(nnc4C(NC(=O)CCc4ccccc4)C)CC3)cc(OC)c2OC1	PC-id_74844494	478.563	CHZPYSIMRVMSPY-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-146963
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cnc(c4ccccc4)s2)CC3)o1	MCULE-2261683888,ZINC22_11872476,EMOLS-id_29555662,PC-id_42239295	478.567	LXAMGWFSWUWLSL-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-146964
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2nc(c4ccccc4)cs2)CC3)o1	PC-id_42467835,EMOLS-id_20502647,CoCoCo_1275308,MCULE-6803178001,ZINC22_12212344,CoCoCo_1275309	478.567	IZVXZSLXNQVDID-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-146965
C[C@@H]1CCCCCCCCC[C@H](OC(=O)CCC(=O)OC(C)(C)C)C(=O)c2[nH]ncc2C(=O)O1	CHEMBL1809128,PC-id_56680587	478.578	ACFUHZUKEFYVFX-MJGOQNOKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146966
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C#Cc1cc(c2-c1cccc(c2)C(C)C)C(=O)OC	PC-id_102236953	478.578	YQRUQPZVMHLKHZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-146967
O(C1CCCCCCCCCC(OC(=O)c2c([nH]nc2)C1=O)C)C(=O)CCC(=O)OC(C)(C)C	PC-id_76393973	478.578	ACFUHZUKEFYVFX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146968
COC(=O)c1c(NC(=O)COC(=O)c2c(NC(=O)C)sc(C)c2C)sc2c1CCCCC2	PC-id_5097224,EMOLS-id_43702507,CoCoCo_2856302,MCULE-6918038465,ZINC22_12591288	478.582	FCFQYVSEWKLRQD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-146969
O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	MCULE-8475682729,EMOLS-id_43703961,ZINC22_13057813,CoCoCo_2861423,PC-id_16264695	478.582	SIYDHVXAQUCDGZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146970
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)NC	PC-id_29387029	478.582	KKJGKOAILLAHRP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-146971
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)CC)cc1)C(=O)NC(=O)OCC	PC-id_41044769	478.582	ODLRCLOQALBBIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146972
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C(=O)NC(=O)OC	PC-id_41149071	478.582	OHPLXWYUKCVEDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146973
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)CC)ccc1)C(=O)NC(=O)OCC	PC-id_16822978	478.582	ZYHRFNCMYALCRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146974
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)C(C)C)ccc1)C(=O)NC(=O)OC	PC-id_41148267	478.582	XZVJYXAAISOYNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146975
s1c2c(CCCCC2)c(c1NC(=O)c1c(S(=O)(=O)CC)cccc1)C(=O)NC(=O)OCC	PC-id_41028489	478.582	IFTPJUIBDQGAAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146976
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C)cc1)C(=O)NC(=O)OCC	PC-id_41139674	478.582	FHRRIAYAOAZSDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146977
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)CC)cc1)C(=O)NC(=O)OC	PC-id_41146402	478.582	JHBKPCHBAVWOSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146978
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccccc1)C(=O)NC(=O)OC	PC-id_41273258	478.582	CUFHJDSVMYSCHI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146979
s1c2c(CCCCC2)c(c1NC(=O)CCS(=O)(=O)Cc1ccccc1)C(=O)NC(=O)OC	PC-id_41583272	478.582	DQNSWAICJPHSOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146980
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)Cc1ccccc1)C(=O)NC(=O)OCC	PC-id_41582335	478.582	COGQUSHNPIQRBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146981
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc(OC)c(OC)c1)C(=O)OC)C(=O)OC	PC-id_20412690	478.582	WUOZJNMAKYTNFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146982
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_24044353	478.582	KZIGMIWDQTYMPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146983
S(=O)(=O)(N1CCOCC1)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_23994113	478.582	DZRZCBNUTYYAQW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146984
S(=O)(=O)(N1CCOCC1)c1ccc(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_16509470	478.582	OXHANJPUPVUDHQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146985
COc1ccc2c(c1)NC(=O)/C/2=Cc1[nH]c2c(c1C)C(=O)N(CCC2)C[C@@H](CN1CCCCC1)O	PC-id_71099990,SCHEMBL14212208	478.583	AGUGGSTVJQARBG-MKYLKIGJSA-N	00000010100010100100000000001010000000000000000000000000	31-01-146986
OC(CN1CCCCC1)CN1CCCc2[nH]c(c(c2C1=O)C)C=C1c2c(NC1=O)cc(OC)cc2	PC-id_78008514	478.583	AGUGGSTVJQARBG-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-146987
c1(NC(=O)CSc2ncc(c(N)n2)C(=O)OCC)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2374365,MCULE-3209783991,EMOLS-id_16211327,PC-id_20913487	478.585	KTUZJCOSNIMHHQ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-146988
CC(CC(C(=O)NC1Cc2snc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730474,SCHEMBL21109629	478.585	GDEREJUAASZPJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146989
CC(C[C@@H]1NC(=O)[C@H](CC(C)C)n2nnc(c2)C[C@H](NC(=O)[C@@H](NC1=O)CC(C)C)C(=O)O)C	PC-id_101448946	478.585	SRLUZGIUMMAJIB-VJANTYMQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-146990
CC(C(C(=O)NC1Cc2cnc(s2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109537,PC-id_138730383	478.585	YKQYGZBXHAAINU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146991
CC(C(C(=O)NC1Cc2nsc(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110270,PC-id_138731110	478.585	JRJPMELMCCSNBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146992
CC(C(C(=O)NC1Cc2sncc2CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730764,SCHEMBL21109922	478.585	QRGQPIIMXWAHOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146993
CC(C(C(=O)NC1CCc2csc(n2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731072,SCHEMBL21110230	478.585	DHICNLFPYDEVFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146994
CC(C(C(=O)NC1CCc2snc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730743,SCHEMBL21109901	478.585	CUNDCGVZKJLFNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-146995
CNc1cccc(c1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccn2C)c1ccccc1	PC-id_139709957	478.585	KVLUUDXIICKKMM-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-146996
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1	PC-id_24554116	478.585	VHNFPMNBVRPKCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146997
s1c2CCCCCc2cc1C(=O)NNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(cc1)C	PC-id_24554147	478.585	BTXMNYKWLJIKIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-146998
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCc2n1)c1c(ccc([N+](=O)[O-])c1)C	PC-id_25540507	478.585	MCOWYCUCQIMXHD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-146999
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3ccc(cc3)OCCO)CCn12	PC-id_45222076,MCULE-5304823450,EMOLS-id_20623213	478.587	SERYQPIQMDSYGR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147000
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3c(cccc3OC)OC)CCn12	PC-id_45176436,EMOLS-id_20425987,MCULE-3133424278	478.587	PZWLGKXDEIELQM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147001
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3cccc(OC)c3OC)CCn12	PC-id_45183535,EMOLS-id_20456783,MCULE-4579658827	478.587	XWQWIJNXDPETQA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147002
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3cccc(OCC)c3O)CCn12	PC-id_45250826,EMOLS-id_20741483,MCULE-2059885744	478.587	ADROICAFJKINQH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147003
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3cccc(OCCO)c3)CCn12	MCULE-7995528531,PC-id_45213053,EMOLS-id_20585077	478.587	FHCYEOJIXKUSCB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147004
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(CCn12)C(=O)Cc1c2ccccc2[nH]c1C	ChEMBL-DNDi_CHEMBL79782571,PC-id_45239619,MCULE-4295417321,EMOLS-id_20696147	478.587	CGTYDAHHBMJBSO-UHFFFAOYSA-N	00000010100000100101000001100010000000000000000000000000	31-01-147005
Cc1[nH]c2ccccc2c1CC(=O)N1CCc2nnc([C@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	ZINC22_14983305,CoCoCo_1564503	478.587	CGTYDAHHBMJBSO-HOYKHHGWSA-N	00000010100000100101000001100010000000000000000000000000	31-01-147006
Cc1[nH]c2ccccc2c1CC(=O)N1CCc2nnc([C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1	ZINC22_14983309,CoCoCo_1564504	478.587	CGTYDAHHBMJBSO-KOSHJBKYSA-N	00000010100000100101000001100010000000000000000000000000	31-01-147007
Cc1[nH]c2ccccc2c1CC(=O)N1CCc2nnc([C@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	ZINC22_14983312,CoCoCo_1564502	478.587	CGTYDAHHBMJBSO-MHECFPHRSA-N	00000010100000100101000001100010000000000000000000000000	31-01-147008
Cc1[nH]c2ccccc2c1CC(=O)N1CCc2nnc([C@@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1	ZINC22_14983316,CoCoCo_1564501	478.587	CGTYDAHHBMJBSO-UUOWRZLLSA-N	00000010100000100101000001100010000000000000000000000000	31-01-147009
CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1cccc(OCCO)c1)CC2	PC-id_26351255,CoCoCo_1396115,ZINC22_14995656,CoCoCo_1396116	478.587	FHCYEOJIXKUSCB-HSZRJFAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147010
CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1cccc(OCCO)c1)CC2	ZINC22_14995658,PC-id_26351258,CoCoCo_1396118,CoCoCo_1396117	478.587	FHCYEOJIXKUSCB-QHCPKHFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147011
CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccc(OCCO)cc1)CC2	CoCoCo_1452874,CoCoCo_1452873,ZINC22_14964896	478.587	SERYQPIQMDSYGR-HSZRJFAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147012
CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1ccc(OCCO)cc1)CC2	CoCoCo_1452875,ZINC22_14964900,CoCoCo_1452876	478.587	SERYQPIQMDSYGR-QHCPKHFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147013
CCOc1cc(ccc1OC)CN1CCc2n(CC1)c(nn2)C(C(C)C)NC(=O)c1ccccn1	ChEMBL-DNDi_CHEMBL35308504	478.587	MJIWWGRHKOWJHY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147014
CCOc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1O	ZINC22_15067896,CoCoCo_1634348,CoCoCo_1634347	478.587	ADROICAFJKINQH-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147015
CCOc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1O	ZINC22_15067898,CoCoCo_1634350,CoCoCo_1634349	478.587	ADROICAFJKINQH-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147016
COc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1OC	CoCoCo_1209631,CoCoCo_1209630,ZINC22_14884699,PC-id_26279967	478.587	XWQWIJNXDPETQA-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147017
COc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1OC	PC-id_26279965,ZINC22_14884696,CoCoCo_1209629,CoCoCo_1209628	478.587	XWQWIJNXDPETQA-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147018
COc1cccc(OC)c1CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cccnc3)n2CC1	CoCoCo_1166988,ZINC22_11787496,CoCoCo_1166987,PC-id_42167886	478.587	PZWLGKXDEIELQM-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147019
COc1cccc(OC)c1CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3cccnc3)n2CC1	ZINC22_11787497,CoCoCo_1166989,CoCoCo_1166990,PC-id_42167888	478.587	PZWLGKXDEIELQM-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147020
O=C(N(C1CC1)CCC(=O)N1CCN(CC1)C)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_42854965	478.587	YJEXMFGZINVCEA-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-147021
Cc1ncccc1C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)F)sc3CC2)CC1	SCHEMBL21040740,BindingDB-id_989467	478.598	XTQDBQZDKVOPAN-IYARVYRRSA-N	00000000100010101101000000000010000000000000000000000000	31-01-147022
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)c1cccnc1C)F	PC-id_138670401	478.598	XTQDBQZDKVOPAN-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-147023
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(F)cc1)C(=O)NC(=O)OCC	PC-id_41272019	478.6	VYRIHDGZULIXON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147024
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)OCC	EMOLS-id_8221345,ZINC22_8445645,SPECS-id_AG-667/13796017,CoCoCo_1731222,TIMTEC36375,MCULE-2277089069,PC-id_4292163	478.603	BRDZBMMELSSINJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147025
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(cc1)OC)C(=O)Nc1ccccc1OCC	ZINC22_8445644,EMOLS-id_2766082,TIMTEC75331,PC-id_4220748,MCULE-3764717332,SPECS-id_AG-667/13796015,CoCoCo_1731310	478.603	BHSDTOQZAUXJNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147026
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(OC)c1OC	ZINC22_408972138	478.603	SOWZKCXDKYJUQR-OGLMXYFKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147027
S(=O)(=O)(NC(Cc1c2c([nH]c1)cccc2)C(=O)OC)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194135	478.603	OLBAVBPWPSOLOD-UHFFFAOYSA-N	00000010100000100110000001100010000000000000000000000000	31-01-147028
s1c2CCCCCc2cc1C(=O)OCC(=O)N(C1C(N(CCC)C(=O)NC1=O)N)CCCC	PC-id_73245283	478.605	PLQXHGYZPCFIKU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147029
CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C2=O)cc1	PC-id_25688820,ZINC22_13041777,CoCoCo_3156916	478.606	SGUZHAHDYGKULE-AREMUKBSSA-N	00000010100000110101100000000010000000000000000000000000	31-01-147030
CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C2=O)cc1	PC-id_25688821,ZINC22_13041778,CoCoCo_3156915	478.606	SGUZHAHDYGKULE-SANMLTNESA-N	00000010100000110101100000000010000000000000000000000000	31-01-147031
N#Cc1c(NC(=O)CN2C(=O)NC(C2=O)(C)c2ccc(cc2)C(C)(C)C)sc2c1CCCCC2	EMOLS-id_24165551,PC-id_42904065,MCULE-5879981254	478.606	SGUZHAHDYGKULE-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-147032
O(c1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COC)C(C)C)CC2)cc1)Cc1ccccc1	PC-id_42247407	478.606	BANOGZARKTZRFM-SANMLTNESA-O	00000000100000110101000000000010000000000000000000000000	31-01-147033
O(c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COC)C(C)C)CC2)cc1)Cc1ccccc1	PC-id_42247409	478.606	BANOGZARKTZRFM-AREMUKBSSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147034
O(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)COC)C(C)C)CC2)cc1)Cc1ccccc1	PC-id_74785941	478.606	BANOGZARKTZRFM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147035
O(c1cc(C[NH+]2CCn3c(nnc3CCNC(=O)C(C)C)CC2)ccc1OCc1ccccc1)C	PC-id_42349473	478.606	AACOBTQBVDAQBI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147036
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COC)C(C)C)CC2)ccc1)Cc1ccccc1	PC-id_42164126	478.606	NJNKLUIWRDHUJV-SANMLTNESA-O	00000000100000110101000000000010000000000000000000000000	31-01-147037
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COC)C(C)C)CC2)ccc1)Cc1ccccc1	PC-id_42164128	478.606	NJNKLUIWRDHUJV-AREMUKBSSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147038
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)COC)C(C)C)CC2)ccc1)Cc1ccccc1	PC-id_74780041	478.606	NJNKLUIWRDHUJV-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147039
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(=Cc1c(n(CC(C)C)c(c1)C)C)C#N)C#N	PC-id_5021475	478.606	IETSHYIUXATCMA-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-147040
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(OC)cc(cc1)C=C(C#N)C#N	PC-id_30377271	478.606	COOVJAWIIXSADR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147041
S(=O)(=O)(NC(Cc1c2c([nH]c1)cccc2)C(=O)NN)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194179	478.606	ZYVUYEMGZXZOLN-UHFFFAOYSA-N	00000010100000100110000001100010000000000000000000000000	31-01-147042
COc1ccc(cc1)S(=O)(=O)Nc1nc(CC(=O)Nc2nc3CCCCCc3s2)cs1	MCULE-1931449711,EMOLS-id_323465623	478.608	KTLGNZQEEASDHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147043
COC(=O)c1c(NC(=O)CSc2nnc(Cc3csc(C)n3)o2)sc2c1CCCCC2	PC-id_4857560,EMOLS-id_2875178,ZINC22_9386413,CoCoCo_2889862,MCULE-9090173876	478.608	YJYUBXZOTWHCMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147044
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(CCn12)C(=O)c1c2CCCCc2cs1	MCULE-6883125878,ChEMBL-DNDi_CHEMBL28100912,EMOLS-id_20501397,PC-id_45166345	478.61	UMXIOPRRRNNFQB-UHFFFAOYSA-N	00000000100010101101000000010010000000000000000000000000	31-01-147045
C1CN(CCN1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)Nc1ccc(cc1)N1CCOCC1	PC-id_89125952	478.61	LLQUMEHJFBWKTJ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-147046
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)c1scc3c1CCCC3)CC2	ZINC22_11996342	478.61	UMXIOPRRRNNFQB-OAQYLSRUSA-N	00000000100010101101000000010010000000000000000000000000	31-01-147047
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)c1scc3c1CCCC3)CC2	ZINC22_11996343	478.61	UMXIOPRRRNNFQB-NRFANRHFSA-N	00000000100010101101000000010010000000000000000000000000	31-01-147048
O=C(c1cc2c(s1)/C=CC/C=NC(=N/C2)Nc1ccc(cc1)N1CCOCC1)N1CCNCC1	SCHEMBL13592029	478.61	LLQUMEHJFBWKTJ-CPAKAEHLSA-N	00000000100010110111100000000010000000000000000000000000	31-01-147049
OCC1CCC(C1)Nc1nc(NCc2nccs2)nc(c1Cc1oc2c(c1)C=C(N=CC2)C)C	PC-id_143946099	478.61	IFDYMIZONKZSDK-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-147050
CCCN(CC(=O)Nc1ccc(cc1)SC1=Nn2cc(cc2C(=NC1)Nc1ccn[nH]1)C)CC	PC-id_144223258	478.613	FFUKPEAIBXBNCL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-147051
O=C(c1c2-c(c(c1)C(=O)C)c(ccc(c2)C(C)C)C)c1c2-c(c(c1)C(=O)C)c(ccc(c2)C(C)C)C	PC-id_46928811	478.621	DTKQLNGXZRIBND-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147052
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)CC)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4298842,CoCoCo_1738308,EMOLS-id_15925557,MCULE-9049306006,ZINC22_8682304,ChEMBL-DNDi_CHEMBL3341-1980	478.625	GRMABPDTNAPVJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147053
CC(C)Oc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1	BindingDB_PC-id_4789512,MCULE-1263521884,CoCoCo_3339798,EMOLS-id_3413366,PC-id_4789512,BindingDB-id_126772,ZINC22_13131972	478.625	OHLQUDPQBDLIOC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147054
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C	PC-id_16509387	478.625	KTVVXNLSBPWDCG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147055
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)c(cc1)C	PC-id_16509476	478.625	MTPFAGLMOQMAIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147056
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)C)cc1)C(=O)OCC	PC-id_44993119	478.625	ARMGOOQAGSVHQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147057
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)C)cc1)C(=O)OC	PC-id_24073519	478.625	SDQHSVQCGFOZPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147058
s1c2CCCCCCc2cc1C(=O)OC(C(=O)Nc1c(ccc(S(=O)(=O)N(C)C)c1)C)C	PC-id_24341561	478.625	PYQYZYFCLKNAEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147059
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_19678035	478.625	VGAITCDVCGMFOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147060
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)c1cc(OC)c(OC)cc1	PC-id_27852626	478.625	WSPHTSHUOMABBH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147061
s1c2c(CCCCC2)c(c1NC(=O)C[NH2+]CCc1ccccc1)C(=O)Nc1c(OC)cccc1	PC-id_26875597	478.626	HSLGHFZLCYDNCK-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-147064
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(C(=O)c2ccccc2)cccc1)C(=O)OCC	PC-id_19648864	478.626	SEAKTFIFULQBDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147065
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(C(=O)c2ccccc2)cccc1)C(=O)OC	PC-id_19648857	478.626	XPLVGMNKUBXPRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147066
CCC1CN(CC(n2c1nc(c2C)Cc1ccccc1)CCc1ccccc1)C(=O)c1cccnc1	PC-id_144120679	478.628	NWBVWXYDMCZUIC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147067
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)CC)C(=O)OC	PC-id_19716193	478.628	WFOLRCCOQJOELN-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-147068
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)OCC	PC-id_20414335	478.63	OEBKNPASCLHUJX-ZQHSETAFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147069
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)OC	PC-id_20414328	478.63	BGKLTHODLYRHEW-ZQHSETAFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147070
CCOC(=O)Cn1c(C)c(c2c1CCCCC2)CC1CCCC=C1S(=O)(=O)N1CCOCC1	PC-id_70899957,SCHEMBL13417156	478.645	MROIFQJETYYSHU-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-147071
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)CCCc1ccccc1)C#N	PC-id_56281184	478.649	ISHXQBGIZRWLCM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147072
s1c2c(CCCCC2)c(c1NC(=O)CN(C1CCN(CC1)C(=O)c1ccccc1)CCC)C#N	PC-id_56382396	478.649	HLXALAGVUFGMMU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147073
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(S(=O)(=O)c2cccs2)CC1	CoCoCo_4225643,ZINC22_36452468,PC-id_41208166	478.651	VUJMZVCNDPIRNO-HNNXBMFYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-147074
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC22_36452469,PC-id_41208168,CoCoCo_4225642	478.651	VUJMZVCNDPIRNO-OAHLLOKOSA-N	00000000100110000101000000000010000000000000000000000000	31-01-147075
N#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCCCC2	CoCoCo_3574011,PC-id_16323618,MCULE-6173836111,ZINC22_36447022,EMOLS-id_48933010	478.651	CLAFYTODAQJIOI-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-147076
N#Cc1c(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2cccs2)C)sc2c1CCCCC2	MCULE-8002734187,PC-id_16330390,EMOLS-id_11767421	478.651	VUJMZVCNDPIRNO-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-147077
N#CC1=CCC=c2c(=N1)n(CC(C)(C)C)c(c2)CN1CCN(CC1)c1ccc(cc1)NS(=O)C	PC-id_142217406	478.653	IUEIKXYGQKFJPC-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-147078
s1c2c(CCCCC2)c(c1NC(=S)N(Cc1ccccc1)Cc1ccccc1)C(=O)OCC	PC-id_19653567	478.669	PRZZPWZOMZEKBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147079
s1c2c(CCCCC2)c(c1NC(=S)NCCC(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_19650241	478.669	KGPQHVKQERIPIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147080
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(Cc2ccccc2)cccc1)C(=O)OCC	PC-id_20167960	478.669	RHRITNMZOZHASR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147081
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccccc1)c1ccccc1)C(=O)OCC	PC-id_19651982	478.669	UZZKUNDUEXBFKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147082
CC/C=C(/c1nc2=C=CC=C(C=c2n1CCCN1CCC(CC1)c1cccc(c1)C)C#N)C=C/CC	PC-id_145514034	478.671	SAUZHVIBVGEQFQ-XXNHFFLKSA-N	00000000100010110111100000000010000000000000000000000000	31-01-147085
c1(NC(=S)NC(=O)Cc2cccs2)sc2c(CCCCCCCCCC2)c1C(=O)OC	PC-id_1932856,STOCK2S-75034,MCULE-6419339671,EMOLS-id_4456894,ZINC22_2316271	478.691	LXRBHPQWCWJNGE-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-147086
S(CCCCCCCC)c1nc2-c(n1)ccc(/N=N/c1ccc(OCCCCCC)cc1)cc2	PC-id_86162064	478.693	IZAIXDYMTGAAMX-QNEJGDQOSA-N	00000010100000110111000000000010000000000000000000000000	31-01-147087
CCCCCCCCCCCCCCCCCC(=O)OCc1ccc2-c1cc(ccc2C)C(=C)C	CNP0344927,PC-id_57473060,HMDB0034578	478.749	LIMRDFZTVWETFB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147088
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCCCCCCCCCC1)C(=O)OCC	PC-id_19652534	478.754	BHJAEKLSMYFBEA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-147089
SP(C(C)(C)C)Cc1c2-c(c(c1S(C(C)(C)C)(C)C)C=[N+](C(C)(C)C)C)ccccc2	PC-id_145572867	478.757	ADMYHFIPTPOQTD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147090
c1(CN(c2cccc(Cl)c2C)C(=O)Nc2ccc(c(Cl)c2)Cl)nnc2CCCCCn12	ZINC22_27525609,MCULE-1599514533,EMOLS-id_10084390,CoCoCo_6269941,PC-id_23739973	478.802	PNXNSYSCYSYECO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147091
Cc1c(Cl)cccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC22_28527596,PC-id_16458695,MCULE-2567583148,CoCoCo_6601019	478.802	RPXCKBDZHMOBQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147092
C(CCCCCCCCCCCc1c2-c(cc1)ccccc2)CCCCCCCCCCCCC	PC-id_19815763	478.835	RDUHXNTUVULWOP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147093
C(CCCCCCCCCCCCC)CCCCCCCCCCc1c2-c(cc1)cc(ccc2)C	PC-id_19815692	478.835	LAYXDZPWGAFLGU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147094
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1cccc(c1)C(F)(F)F	PC-id_69955065,SCHEMBL6992930	478.914	JIZYMMFVTCVWSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147095
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1ccccc1C(F)(F)F	SCHEMBL6989154,PC-id_69953905	478.914	FRZGCUAYQZKSJY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147096
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2c(cccc2)C(F)(F)F)c1	PC-id_57090224	478.914	CHWFKNAPOGXZMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147097
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)(C)Cc1cccnc1)Nc1ccc(c(c1)Cl)F	SCHEMBL18353492	478.924	FYUOGDDLTQQBAG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147098
Clc1ccc(NC(=O)c2c3CCCCCc3sc2NS(=O)(=O)c2ccc(F)cc2)cc1	PC-id_11518590,SCHEMBL4144648	478.987	PXJUVYPACJEPSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147099
Clc1ncccc1C(=O)OC(C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC)CC	PC-id_24110182	478.989	JCZCXIKUDYUZIX-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-147100
Clc1nccc(C(=O)OC(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)CC)c1	PC-id_23860594	478.989	MXBNQDPROVXYIF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-147101
Clc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C3CCOCC3)C)CC2)ccc(OC)c1OC	PC-id_42273967	478.992	AACFJIMIXVYVBD-OAHLLOKOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-147102
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C3CCOCC3)C)CC2)ccc(OC)c1OC	PC-id_42273968	478.992	AACFJIMIXVYVBD-HNNXBMFYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-147103
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)C3CCOCC3)C)CC2)ccc(OC)c1OC	PC-id_74786905	478.992	AACFJIMIXVYVBD-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-147104
CCCS1(=O)=Nc2c(C(=NC1=N)NC(=O)C(CCC)C)[nH]c(=O)n2Cc1ccc(cc1)Cl	SCHEMBL19134090	478.995	PFLPOUGSJDHJTJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-147105
CC([C@@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(o1)c1ccccc1Cl)NS(=O)(=O)C)C	GD-id_ZINC12129434	479.015	WXIZBZDJSRRJOI-NRFANRHFSA-O	00000000101000110101100000000010000000000000000000000000	31-01-147106
CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3c(s2)CCNCC3)ncc1Cl	PC-id_118713250,CHEMBL3330851,BindingDB_PC-id_118713250	479.019	OGGHBGZUAZWTLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147107
Clc1ccc(S(=O)(=O)NCCCCc2c3-c(c(S(=O)[O-])c2)ccc(C(C)C)cc3)cc1	PC-id_57164270	479.032	BNCRKUMXDVZAJG-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-147108
Clc1c2c(sc1C(=O)NC(=S)Nc1sc3c(CCCCC3)c1C(=O)OC)cccc2	PC-id_24129266	479.035	IQPGAPBBWIHDMD-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-147109
BrC(c1sc2c(CCCCC2)c1)c1c(Br)ccc(Br)c1	PC-id_63437893	479.067	RFHZUPYSQPQTMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147110
CC1=C(N2CCCCCC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_155278664	479.13	HDHRBNDJIQHGJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147111
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)C=C[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)OC	PC-id_154991281	479.143	NIKFBNJLFDRZTM-NISQWKGESA-N	00000000100000110111000000000010000000000000000000000000	31-01-147112
O=C(NCCc1nnc2n1CCCCC2)c1cc(Cl)cc(Cl)c1I	ZINC22_11380005,PC-id_41950621,CoCoCo_4583257,EMOLS-id_44044972,MCULE-5453244915	479.143	QXBOHNWZJUEIFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147113
C1COCCN1CCOC2=CC=C(C=C2)C(=O)C3CNC=C(C4=NNC(=C34)C(F)(F)F)C(=O)[O-]	PC-id_151493274	479.155	POXGDHMMBWCHQS-UHFFFAOYSA-M	00000000100010110111000000000010000000000000000000000000	31-01-147114
CN1CCC2=C(C=C(S2)C(=O)N3CC(CC3COC)NC(=O)C4=CC=C(S4)O)C(C1)OC	PC-id_149224296	479.155	XJAYLVLFXLXNGI-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-147115
CC1=CC(=CC(=C1)C(F)(F)F)COC(=O)N2CCCN3C(=CC(=N3)C(=O)N4CCC(C4)NC)C2	PC-id_161287030	479.214	VFVWAURIRZAGOL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-147116
CCc1nn(c2c1C(=O)NCCCOCCC2)C[C@@H](C)COC(=O)c1ccc(cc1)C(O)(F)F	PC-id_163873001	479.223	PMLMFSFXZLXMLV-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147117
CCC1=CNc2c(ccn2CCCN(CCCOC)[O-])C(=Nc2ccc(cc2)OC(F)(F)F)C1	PC-id_163598682	479.228	NDSOOCSSSLBPMO-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-147118
c1(C(F)(F)F)c(Br)c(n(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)n1)C	EMOLS-id_4159279,TIMTEC484163,PC-id_1222117,ZINC22_997698,SCHEMBL4141384,MCULE-5274551353,CoCoCo_5818343	479.315	UPQRYALEHKYIMS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147119
Brc1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(Sc2n(nnn2)C)cc1	PC-id_56343368	479.354	JMJJGFJFAUFUMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147120
CC(c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)O	PC-id_90460117,SCHEMBL16099213	479.373	ZRKVDFZQPMNEOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147121
CCOC(=O)c1nn2c(c1)CN(CCC2)C(=O)COc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_117616522,SCHEMBL16129709	479.373	FVUHDJVDGWIBKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147122
O=C(OC(C)(C)C)NC1CN(CCc2c1ccs2)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_139917081	510.69	ODOBEVSVMIKSQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153568
CCOC(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	TT-id_D0F7NL,SCHEMBL16094402,PC-id_78425825	479.373	UVKJSSLAVQPIDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147123
C1CN(Cc2cc(nn2C1)C(C(=O)N)N)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460672,SCHEMBL16099950	479.376	MWPSMRRPSFAGCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147124
c1(NC(=O)c2c(C)onc2c2c(cccc2Cl)Cl)sc2c(CCCCC2)c1C(=O)OC	PC-id_2165810,CoCoCo_909252,MCULE-7360468941,EMOLS-id_2447382,SPECS-id_AK-968/13411566,TIMTEC229163,ZINC22_2749922	479.376	IXNSSEUDOHEJIT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147125
Brc1cc(c(NC(=O)CNC(=O)COC(=O)c2sc3CCCCCc3c2)cc1)C	PC-id_16509366	479.387	PDCQKSBQIHEQNL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147126
Brc1c(NC(=O)CNC(=O)COC(=O)c2sc3CCCCCCc3c2)cccc1	PC-id_28042994	479.387	VBPYGFWCSOHHLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147127
Brc1ccc(NC(=O)NCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_55771724	479.391	RMEACNRJZIYTER-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147128
Clc1c2c(sc1C(=O)OCC(=O)Nc1sc3CCCCCc3c1C#N)cc(Cl)cc2	PC-id_4533694	479.399	VBJOJKWODRFWNY-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-147129
CCOC(=O)Oc1c2-c(ccc(cc2)CC(=O)N(COC)C(=O)NO)c(c1N)OC(=O)OCC	SCHEMBL7313538,PC-id_88126555	479.437	ARHPTKZDWDHBKT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147130
c1(NC(=O)CCC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)sc2c(CCCCC2)n1	EMOLS-id_335108756,MCULE-6204350571	479.439	CGKCXKNXWXBZHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147131
ICN(CCCc1n[nH]c2c1CCCCC2)CCCCc1ccc(cc1)C	PC-id_141880044	479.441	WHJSWKOENTUFHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147132
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNC(=O)c1ccc(cc1)C(F)(F)F)C#N	PC-id_35691065	479.472	HTDDLHVGDDRCEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147133
Cc1nn(c(c1)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)C	SCHEMBL18353541	479.5	KPIAMVMLQKQRGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147134
C1CC1CNC(=O)c1c(cc(cc1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965766,PC-id_89580159	479.503	MSZXPAJCWBTEEN-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-147135
C1CC(C1)NC(=O)c1c(cc(cc1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965563,PC-id_89580013	479.503	UHGZCDQSWMEYFU-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-147136
C1CC(C1)NC(=O)c1c(ccc(c1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965650,PC-id_89580075	479.503	OYAMGNUDGYHIEQ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-147137
C1CCN(C1)C(=O)c1c(ccc(c1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965662,PC-id_89580083	479.503	RMIAVPLDACCYAV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-147138
COc1ccc(cc1)NC(=O)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F	PC-id_46049837,MCULE-9364392685,EMOLS-id_25387386	479.503	AGHJAZFYMVSFRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147139
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C)C(=O)Nc2ccc(OC)cc2)cc1	PC-id_42855037	479.503	AQMMYLAADRSRMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147140
O1C(CC(OCCCC)CC1COCCCC)c1c(OCCCC)ccc(c1)Cc1cc2-c(c1)ccccc2	PC-id_78026954	532.753	MTDJOENQYVTXKM-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-156098
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)Nc2ccc(OC)cc2)C)cc1	PC-id_46049819	479.503	NFDCOUQORAEEOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147141
o1c2-c(c(C(=C(C#N)C#N)C(=c3ccc(=C(C#N)C#N)cc3)[C]3[CH][CH][CH][CH]3)c1=O)cc(C(C)C)ccc2	PC-id_57338964	479.508	AOXXHBCXZPMAGT-UHFFFAOYSA-N	00000010100000100110000000000010000000000000000000000000	31-01-147142
CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCCC2)NC(=O)c1ccccc1	PC-id_3768548,EMOLS-id_4435377,SPECS-id_AG-389/40688246,STOCK2S-33294,MCULE-9510184919	479.515	CTUPETODBHMOLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147143
CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1sc2c(c1C#N)CCCCCC2)C(F)(F)F	PC-id_1860312,CoCoCo_6890685,ZINC22_2228544	479.515	CTUPETODBHMOLQ-QFIPXVFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147144
CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1sc2c(c1C#N)CCCCCC2)C(F)(F)F	PC-id_1860313,CoCoCo_6890686,ZINC22_2228545	479.515	CTUPETODBHMOLQ-JOCHJYFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147145
s1c2c(CCCCC2)c(c1NC(=O)C1CN(C(=O)C1)Cc1cc(ccc1)C(F)(F)F)C(=O)N	PC-id_55755349	479.515	IQWOXMKLKNGEKR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-147146
COC(=O)[C@H](NC(=O)c1nn(c2c1CCCC/C/2=Cc1cccc(c1)F)C)Cc1ccc(cc1)F	PC-id_58882578,SCHEMBL176473	479.518	SYKNPFMXUDZUBX-CMYVBNMBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147147
COC(=O)[C@H](NC(=O)c1nn(c2c1CCCCC2=Cc1cccc(c1)F)C)Cc1ccc(cc1)F	PC-id_66614770,SCHEMBL176474	479.518	SYKNPFMXUDZUBX-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147148
COC(=O)[C@@H](NC(=O)c1nn(c2c1CCCCC2=Cc1cccc(c1)F)C)Cc1ccc(cc1)F	PC-id_66614825,SCHEMBL176770	479.518	SYKNPFMXUDZUBX-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147149
COC(=O)[C@@H](NC(=O)c1nn(c2c1CCCC/C/2=Cc1cccc(c1)F)C)Cc1ccc(cc1)F	SCHEMBL176769,PC-id_25070946	479.518	SYKNPFMXUDZUBX-YHSGTQGLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147150
CC(C)(O)C#Cc1ccc(CN2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)cc1	EMOLS-id_232764848,ZINC22_19852030,MCULE-7835267068,PC-id_28406355	479.522	CCHVURBLAYGPTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147151
ON=Cc1cc2c(o1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	PC-id_139710008	479.527	ULSYLCRFKQXXSM-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-147152
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1occc1)C(=O)OCC	PC-id_4284207	479.527	QKEYKCLYROMPTI-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-147153
CC(C)(C)OC(=O)Nc1cccc(c1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89584368,SCHEMBL14971084	479.528	NRTBKTHSARBSIZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147154
COc1cc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)cc2OCOc12	PC-id_45236890,EMOLS-id_20685315,MCULE-9043516529	479.528	VTYVDQOZJAYWRU-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-147155
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc2c1OCO2	CoCoCo_1547871,PC-id_28810720,CoCoCo_1547870,ZINC22_20271859	479.528	VTYVDQOZJAYWRU-KRWDZBQOSA-N	00000010100000110101000000001010000000000000000000000000	31-01-147156
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc2c1OCO2	PC-id_28810716,CoCoCo_1547868,ZINC22_20271857,CoCoCo_1547869	479.528	VTYVDQOZJAYWRU-QGZVFWFLSA-N	00000010100000110101000000001010000000000000000000000000	31-01-147157
O1CCN(CCn2c1nc([N+](=O)[O-])c2)Cc1cc(ccc1)c1ccc(NC(=O)OC(C)(C)C)cc1	PC-id_71569980	479.528	AAWWUTMOTBANJJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147158
CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_27220154,GD-id_ZINC16588681	479.538	GJXWITMZNSMHCL-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-147159
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](CCC)CC(=O)Nc1c(F)c(F)c(F)cc1)C#N	PC-id_2698587	479.538	IXCFQECUQYMOSM-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-147160
COC1=C(CC=c2c(=C1)[nH]cc2C(=O)C(=O)C)C(=O)N1CC(C)N(CC1C)Cc1ccc(cc1)F	PC-id_143231493	479.543	WMIRUIXAOVHUNE-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-147161
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)c(OC)cc(c1)/C=C/C(=O)[O-]	PC-id_26968570	479.547	BCTSYHFLEHJTQQ-CMDGGOBGSA-M	00000000100000110100000000000010000000000000000000000000	31-01-147162
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)c(OC)cc(c1)C=CC(=O)[O-]	PC-id_74516197	479.547	BCTSYHFLEHJTQQ-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-147163
c1(c2CCCCCc2sc1N=Cc1cccc(c1)N(=O)=O)C(=O)Nc1ccc(cc1OC)OC	PC-id_4210272,MCULE-7571500222	479.548	YAHBMKUTFGMWAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147164
COc1ccc(c(c1)OC)NC(=O)c1c(/N=Cc2cccc(c2)[N+](=O)[O-])sc2c1CCCCC2	CoCoCo_6728179	479.548	YAHBMKUTFGMWAL-YSMPRRRNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147165
COc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2cccc(c2)[N+](=O)[O-])c(OC)c1	PC-id_9653281,CoCoCo_6728178,EMOLS-id_2784760,TIMTEC563375,ZINC22_15946509	479.548	YAHBMKUTFGMWAL-CVKSISIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147166
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(OCc2c(onc2C)C)cc1)C#N	PC-id_42966818	479.548	WRNNUTIBJAAREN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147167
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(OCc2c(onc2C)C)ccc1)C#N	PC-id_45611515	479.548	WBIIGZDBVUSPSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147168
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCCN1C(=O)c2c(C1=O)ccc(c2)C)C#N	PC-id_30394805	479.548	IIYBLAVCCKBNFP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-147169
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCN1C(=O)c2c(C1=O)ccc(c2)C)C)C#N	PC-id_55422728	479.548	UOSFNNGNZIQJPJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-147170
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@@H](N1C(=O)c2c(C1=O)cccc2)C(C)C)C#N	PC-id_51919998	479.548	NBDJLOJSXFNISH-NRFANRHFSA-N	00000010100000100100000000001010000000000000000000000000	31-01-147171
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@H](N1C(=O)c2c(C1=O)cccc2)C(C)C)C#N	PC-id_51919999	479.548	NBDJLOJSXFNISH-OAQYLSRUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-147172
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(N1C(=O)c2c(C1=O)cccc2)C(C)C)C#N	PC-id_45619793	479.548	NBDJLOJSXFNISH-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-147173
s1c2c(CCCCC2)c(c1NC(=O)CSc1[nH]c(=O)c(NC(=O)C)c([O-])n1)C(=O)OCC	PC-id_28698252	479.55	OEROCBBQDPGPRZ-UHFFFAOYSA-M	00000000100000100101000000000010000000000000000000000000	31-01-147174
S(=O)(=O)(N1CCC(CC1)C(=O)NCc1n2CCCCCc2nn1)c1oc(cc1)C(=O)OCC	PC-id_55651946	479.55	XQDLZPRUCOAFKW-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-147175
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(NC(c2ncccc2)C)cc1	PC-id_56006016	479.551	VBLJIWSVHSVACD-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-147176
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCNC(=O)c1n[nH]c2c1cccc2)C)C#N	PC-id_56490963	479.551	MYWBQWACNYRORV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-147177
s1c2c(CCCCCC2)cc1C(=O)N1CCN(CC1)CC(=O)Nc1c(cccc1)C(F)(F)F	PC-id_46655122	479.558	HRFBBYZLCREUAV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147178
s1c2c(CCCCC2)c(c1NC(=O)[C@@H]([NH+]1CCN(CC1)c1[nH+]cc(cc1)C(F)(F)F)C)C#N	PC-id_41189161	479.562	HNPYEFPGNIJWNO-HNNXBMFYSA-P	00000000100010101101100000000010000000000000000000000000	31-01-147179
s1c2c(CCCCC2)c(c1NC(=O)[C@H]([NH+]1CCN(CC1)c1[nH+]cc(cc1)C(F)(F)F)C)C#N	PC-id_41189162	479.562	HNPYEFPGNIJWNO-OAHLLOKOSA-P	00000000100010101101100000000010000000000000000000000000	31-01-147180
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCN(CC1)c1[nH+]cc(cc1)C(F)(F)F)C)C#N	PC-id_74751761	479.562	HNPYEFPGNIJWNO-UHFFFAOYSA-P	00000000100010101101100000000010000000000000000000000000	31-01-147181
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)sc2c(c(C)cc(C(F)F)n2)c1N	TIMTEC344328,MCULE-9636244572,SPECS-id_AK-968/15603188,EMOLS-id_5126174,PC-id_4613477,CoCoCo_5827887,ZINC22_8455932	479.563	NVUIFDYIEUCDEG-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-147182
COc1ccc(cc1)CN1CCc2c(/C(=C/c3ccccc3)/C1=O)n(cn2)COCc1ccccc1	PC-id_145978097	479.57	IKMFJJFZRDHANG-IMRQLAEWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147183
COc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccn2C	PC-id_139750472	479.57	GWOXPOXUAUOLKW-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-147184
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCC2)c1)c1cc([N+](=O)[O-])c(OC)cc1	PC-id_27785847	479.57	ZXAOPICUZWAFKV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147185
CCCCCCCCNc1nc(=O)c2c(nc(C#CCCO)n2Cc2ccc(OC)cc2)c(=O)[nH]1	PC-id_44430975,CHEMBL234278	479.571	OXSCMQJERANWEK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-147186
CCOc1cc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)ccc1OC	CoCoCo_1160626,EMOLS-id_20421397,CoCoCo_1160625,PC-id_28312258,MCULE-9591070255,ZINC22_19744139	479.571	BJSNMJOGBXUGQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147187
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(OC)c(C)c3OC)CCn12	MCULE-9222560393,PC-id_28640657,EMOLS-id_20666775,CoCoCo_1519349,CoCoCo_1519348,ZINC22_20118149	479.571	SNMKTLLDZBBPRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147188
COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)c(OC)c1OC	EMOLS-id_20547261,CoCoCo_1339539,ZINC22_12190990,PC-id_42452042,CoCoCo_1339540,MCULE-6497039690	479.571	KIVOGMCUCYJSMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147189
COc1cc(CN2CCc3n(CC2)c(nn3)[C@H](NC(=O)CCc2ccccc2)C)cc(c1O)OC	PC-id_42168558,CoCoCo_1169005,CoCoCo_1169006	479.571	ZJKWRYGRYOUWNH-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147190
COc1cc(CN2CCc3n(CC2)c(nn3)[C@@H](NC(=O)CCc2ccccc2)C)cc(c1O)OC	PC-id_42168560,CoCoCo_1169008,CoCoCo_1169007	479.571	ZJKWRYGRYOUWNH-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147191
COc1cc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)cc(OC)c1OC	MCULE-2718432511,PC-id_26350247,CoCoCo_1393403,EMOLS-id_20583297,CoCoCo_1393402,ZINC22_14994779	479.571	JQPYJPKPKMGJIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147192
O1CCCC1CNC(=O)C1CCCCN1C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	MCULE-9784265041,PC-id_46049489,EMOLS-id_25387494	479.571	FEZFDBLEYRUWRX-UHFFFAOYSA-N	00000010100010110101000000000010000000000000000000000000	31-01-147193
O(c1cc(CN2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cc(OC)c1O)C	PC-id_45176774	479.571	ZJKWRYGRYOUWNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147194
O=C(C1CCN(CC1)C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NC[C@@H]1CCCO1	PC-id_93331916	479.571	QPMDSHYVTFHLHY-NRFANRHFSA-N	00000010100010110101000000000010000000000000000000000000	31-01-147195
O=C(C1CCN(CC1)C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NC[C@H]1CCCO1	PC-id_93331917	479.571	QPMDSHYVTFHLHY-OAQYLSRUSA-N	00000010100010110101000000000010000000000000000000000000	31-01-147196
O=C(N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCO1)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332326	479.571	FEZFDBLEYRUWRX-RBBKRZOGSA-N	00000010100010110101000000000010000000000000000000000000	31-01-147197
O=C(N1CCCC[C@H]1C(=O)NC[C@@H]1CCCO1)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332327	479.571	FEZFDBLEYRUWRX-UNMCSNQZSA-N	00000010100010110101000000000010000000000000000000000000	31-01-147198
O=C(N1CCCC[C@@H]1C(=O)NC[C@H]1CCCO1)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332328	479.571	FEZFDBLEYRUWRX-IFMALSPDSA-N	00000010100010110101000000000010000000000000000000000000	31-01-147199
O=C(N1CCCC[C@H]1C(=O)NC[C@H]1CCCO1)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332329	479.571	FEZFDBLEYRUWRX-IRLDBZIGSA-N	00000010100010110101000000000010000000000000000000000000	31-01-147200
O=C(N(C1CC1)CCC(=O)NCC1OCCC1)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_42854964	479.571	KNNZKAYUHRFSQJ-UHFFFAOYSA-N	00100010100000110101000000000010000000000000000000000000	31-01-147201
O=C(NCC1CCCO1)C1CCN(CC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25386816,PC-id_46049496,MCULE-7733086130	479.571	QPMDSHYVTFHLHY-UHFFFAOYSA-N	00000010100010110101000000000010000000000000000000000000	31-01-147202
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(NC(=O)c2sccc2)cc1)C#N	PC-id_30119079	479.571	BBPHATCKZHVNDT-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-147203
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(NC(=O)c2sccc2)ccc1)C#N	PC-id_30817764	479.571	OSZFJCORQLFAJB-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-147204
Cc1c(cc(cc1)N1CCN(CC1)C(=O)Nc1ccccc1)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478279	479.573	MNQRZOBFSHPJKP-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-147205
CCC(=Nc1cc(ccc1C)C(=O)N1CCN(CC1)c1ccncc1)c1c(=O)[nH]c2-c1ccccc2	PC-id_144080638	479.573	HCCNTCOQVMYRNK-UHFFFAOYSA-N	00000010100010111111100000000010000000000000000000000000	31-01-147206
O=C(N1CCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C)Nc1ccccc1	SCHEMBL13076658	479.573	MNQRZOBFSHPJKP-MWAVMZGNSA-N	00000010100010110111100000000010000000000000000000000000	31-01-147207
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCNS(=O)(=O)c1nc(n(c1)C)C)C#N	PC-id_56320247	479.573	AKKRSOAZBRDMMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147208
CCCn1c(nc(c1C(=O)NC(=O)C)NC)N1CCN(CC1)CC(=O)c1c[nH]c2c1CC=CC=C2	PC-id_143034829	479.575	HZQPHDRGZAUDLT-UHFFFAOYSA-N	00000000100010000111100000000010000000000000000000000000	31-01-147209
O=C(N1CCN(CC1)CCCc1onc(n1)c1ccc(cc1)C)Cn1nc2n(CCCCC2)c1=O	PC-id_55652466	479.575	WHYLYBFXWZAUIX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-147210
s1c(nc(c1)c1ccccc1)C[NH+]1CCn2c(nnc2CNC(=O)c2oc(cc2)COC)CC1	PC-id_42467834	479.575	IZVXZSLXNQVDID-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-147211
S(=O)(=O)(O)c1c2-c(c(CCCCNS(=O)(=O)c3ccc(F)cc3)c1)ccc(C(C)C)cc2	PC-id_15020243	479.585	LJPUAYMTEGWYPI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-147212
CCOC(=O)[C@H]1C2CCC([C@H]1NC(=O)/C=C/c1nn(c3c1CCCCC3)Cc1ccc(cc1)F)C2	PC-id_69501021,SCHEMBL5596546	479.586	LWFVIZKBJUBBEO-HUDYUDRYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-147213
CCOC(=O)[C@H]1C2CCC([C@H]1NC(=O)C=Cc1nn(c3c1CCCCC3)Cc1ccc(cc1)F)C2	PC-id_69501023,SCHEMBL5596550	479.586	LWFVIZKBJUBBEO-CIASDXNTSA-N	00000010100010110101000000000110000000000000000000000000	31-01-147214
Fc1ccc(Cn2nc(C=CC(=O)NC3C4CC(C3C(=O)OCC)CC4)c3c2CCCCC3)cc1	PC-id_77662461	479.586	LWFVIZKBJUBBEO-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-147215
c1(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_32180786,PC-id_41826166,MCULE-2954590765,ZINC22_11117534	479.588	YWIWVIPBYNUQMD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147216
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1ccc(F)cc1	PC-id_16861632	479.588	ASQHOGDPOFCFGE-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147217
S(=O)(=O)(N1CC(CCC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1ccc(F)cc1	PC-id_24488102	479.588	PPONXTRCZXCDEV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147218
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1c(F)cccc1	PC-id_26778390	479.588	OIYOBBDUNQUUEW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147219
S(=O)(=O)(N1C[C@@H](CCC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1ccc(F)cc1	PC-id_29911521	479.588	PPONXTRCZXCDEV-MRXNPFEDSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147220
S(=O)(=O)(N1C[C@H](CCC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1ccc(F)cc1	PC-id_29911524	479.588	PPONXTRCZXCDEV-INIZCTEOSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147221
COc1ccc(cc1)c1csc(n1)Cc1c2-c(c(c1C)C(=O)c1ccc(cc1)OC)ccccc2	PC-id_139814862	479.589	HNIZKYXGFZUOFA-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-147222
CC(=CC(=O)Nc1ccc(CC(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1)C	ZINC22_1875350633	479.591	VKLVKNYSAZICLN-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147223
CC(=CC(=O)Nc1ccc(CC(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1)C	ZINC22_1875350634	479.591	VKLVKNYSAZICLN-QGZVFWFLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147224
CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1cc(c3-c1ccccc3OCCCN(C)C)C)/C(=O)N2	PC-id_68581011,SCHEMBL3284704	479.591	KNRQORPQFVKRIJ-JCMHNJIXSA-N	00000010100000100110000000001010000000000000000000000000	31-01-147225
CNS(=O)(=O)c1ccc2c(c1)/C(=Cc1cc(c3-c1ccccc3OCCCN(C)C)C)/C(=O)N2	SCHEMBL13324686	479.591	KNRQORPQFVKRIJ-PXLXIMEGSA-N	00000010100000100110000000001010000000000000000000000000	31-01-147226
S(=O)(=O)(NC)c1cc2C(=Cc3c4-c(c(c3)C)c(OCCCN(C)C)cccc4)C(=O)Nc2cc1	PC-id_59301633	479.591	KNRQORPQFVKRIJ-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-147227
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)S(=O)(=O)c1ccccc1)nn2)C	PC-id_134828982	479.593	DTSFDYIKSVRPHL-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147228
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)S(=O)(=O)c1ccccc1)nn2)C	PC-id_134828987	479.593	DTSFDYIKSVRPHL-WFXMLNOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147229
OC[C@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1)C)C	CHEBI:96308,PC-id_44491447	479.593	BDEMCWTZQNVVEU-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147230
OC[C@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1)C)C	CHEBI:96844,PC-id_44488152	479.593	BDEMCWTZQNVVEU-WAOWUJCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147231
OC[C@@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1)C)C	CHEBI:96887,PC-id_44488151	479.593	BDEMCWTZQNVVEU-LVCYWYKZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147232
OC[C@@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1)C)C	CHEBI:97044,PC-id_44491445	479.593	BDEMCWTZQNVVEU-WFXMLNOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147233
OC[C@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1)C)C	PC-id_44483907,CHEBI:95847	479.593	BDEMCWTZQNVVEU-UEXGIBASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147234
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1)C)C	PC-id_44491446,CHEBI:96760	479.593	BDEMCWTZQNVVEU-LQWHRVPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147235
OC[C@H](N1C[C@@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1)C)C	CHEBI:96888,PC-id_44504937	479.593	YDFSFENEUSKTIZ-OPYAIIAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147236
OC[C@@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1)C)C	CHEBI:97014,PC-id_44504928	479.593	YDFSFENEUSKTIZ-WFXMLNOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147237
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1)C)C	PC-id_44504927,CHEBI:113493	479.593	YDFSFENEUSKTIZ-LQWHRVPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147238
OC[C@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1)C)C	PC-id_44504932,CHEBI:96577	479.593	YDFSFENEUSKTIZ-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147239
OC[C@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1)C)C	PC-id_44505131,CHEBI:113291	479.593	YDFSFENEUSKTIZ-WAOWUJCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147240
OC[C@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1)C)C	PC-id_44505344,CHEBI:96544	479.593	YDFSFENEUSKTIZ-UEXGIBASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147241
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)c1ccccc1	PC-id_75036131	479.593	YDFSFENEUSKTIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147242
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1ccccc1	PC-id_44505135	479.593	YDFSFENEUSKTIZ-LVCYWYKZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147243
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1ccccc1	PC-id_44505938	479.593	YDFSFENEUSKTIZ-BBTUJRGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147244
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1ccccc1	PC-id_44489803	479.593	BDEMCWTZQNVVEU-OPYAIIAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147245
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C)c1ccccc1	PC-id_44489804	479.593	BDEMCWTZQNVVEU-BBTUJRGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147246
COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2nnc3n2CCCCC3)cc1	MCULE-8217501879,CoCoCo_3081836,EMOLS-id_3468776,PC-id_4855823,ZINC22_9283491	479.594	XAFURSVHWMRMLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147247
CC(c1ccc(c2-c(c1)c(C)cc2C(C(c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccco1)c1ccco1)C)C	PC-id_101760689	554.76	XMJQIPGTRZNKEG-UHFFFAOYSA-N	00000010101000000110000000000010000000000000000000000000	31-01-158039
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)CC(C)C)CC2)ccc1)CCO	PC-id_26351254	479.594	FHCYEOJIXKUSCB-HSZRJFAPSA-O	00000000100000111101000000000010000000000000000000000000	31-01-147248
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)CC(C)C)CC2)ccc1)CCO	PC-id_26351257	479.594	FHCYEOJIXKUSCB-QHCPKHFHSA-O	00000000100000111101000000000010000000000000000000000000	31-01-147249
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)CC(C)C)CC2)ccc1)CCO	PC-id_74500941	479.594	FHCYEOJIXKUSCB-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-147250
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)CC(C)C)CC2)cccc1OC)C	PC-id_26279964	479.594	XWQWIJNXDPETQA-OAQYLSRUSA-O	00000000100000111101000000000010000000000000000000000000	31-01-147251
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)CC(C)C)CC2)cccc1OC)C	PC-id_26279966	479.594	XWQWIJNXDPETQA-NRFANRHFSA-O	00000000100000111101000000000010000000000000000000000000	31-01-147252
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)CC(C)C)CC2)c(OC)ccc1)C	PC-id_42167885	479.594	PZWLGKXDEIELQM-OAQYLSRUSA-O	00000000100000111101000000000010000000000000000000000000	31-01-147253
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)CC(C)C)CC2)c(OC)ccc1)C	PC-id_42167887	479.594	PZWLGKXDEIELQM-NRFANRHFSA-O	00000000100000111101000000000010000000000000000000000000	31-01-147254
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)CC(C)C)CC2)cccc1OC)C	PC-id_74494291	479.594	XWQWIJNXDPETQA-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-147255
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)CC(C)C)CC2)c(OC)ccc1)C	PC-id_74780553	479.594	PZWLGKXDEIELQM-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-147256
O=C(c1cccc(c1)S(=O)(=O)N1C(C)Cc2c1cccc2)NCCc1nnc2n1CCCCC2	PC-id_112812244	479.594	FETOYSSJGBQJJF-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-147257
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c2c(n(nc2)C(C)C)nc(C(C)C)c1)C#N	PC-id_26179560	479.594	ZYFCGKXFEMOUGR-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-147258
s1c2CCCCCCc2c(c1NC(=O)CSc1[nH]c(=O)c(Cc2ccccc2)c([O-])n1)C#N	PC-id_51559189	479.594	RWISOAKEHHNJNT-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-147259
S(c1n2CCCCCc2nn1)Cc1n(c2c(n(Cc3ccccc3)c(=O)[nH]c2=O)n1)CCCC	PC-id_24557903	479.598	LBZUQARYZIWNTH-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-147260
CCCC/C(=C(Cn1ccc2c1N=CC(=C=C2)OC)/SCC(C/C=C/C(F)(F)F)C=C)/NC	PC-id_143199797	479.601	VYDCTMOJPMPMDI-YXOUZVJGSA-N	00000000100000000110000000000010000000000000000000000000	31-01-147261
CCNCCOc1c(C)cc(cc1CC)C(=O)c1c(CC(=O)O[C@@H](CC)C)oc2c1C=CCC=C2	PC-id_143398429	479.608	LQGDSHFNWKLICI-HXUWFJFHSA-N	00000000100000110110000000000010000000000000000000000000	31-01-147262
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_41273804	479.609	MMGZNYRQFPQAGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147263
C1CCCCCC(NC(=O)c2ccc([nH]2)C(=O)CCCCC1)C(=O)NC(Cc1ccccc1)C=O	PC-id_90157489	479.611	PVPYJKUFPUXIFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147264
Cc1cc(C)c2-c(c(c1)C)ccc2C=C1c2ccccc2N(C1=O)C(c1ccccc1)c1ccccc1	PC-id_59301639,SCHEMBL3290799	479.611	XGQZTFBTXBLQOP-UHFFFAOYSA-N	00000010100000110110000000001010000000000000000000000000	31-01-147265
Cc1cc(C)c2-c(c(c1)C)ccc2/C=C
/c2ccccc2N(C1=O)C(c1ccccc1)c1ccccc1	PC-id_68583421,SCHEMBL3290796	479.611	XGQZTFBTXBLQOP-VAMRJTSQSA-N	00000010100000110110000000001010000000000000000000000000	31-01-147266
O(C1C2CC(C1NC(=O)c1nn(c3c1CCCCC3)Cc1ccccc1)CC2)C(=O)OC(C)(C)C	PC-id_77157875	479.611	PFVBPYAVAFMKMK-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-147268
O=C[C@@H](NC(=O)[C@@H]1CCCCCCCCCCCC(=O)c2[nH]c(C(=O)N1)cc2)Cc1ccccc1	SCHEMBL17195436,PC-id_74223538	479.611	PVPYJKUFPUXIFZ-UPVQGACJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147269
O=CC(NC(=O)[C@@H]1CCCCCCCCCCCC(=O)c2[nH]c(C(=O)N1)cc2)Cc1ccccc1	SCHEMBL15718112	479.611	PVPYJKUFPUXIFZ-GITCGBDTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147270
O([C@H]1C2CC([C@H]1NC(=O)c1nn(c3c1CCCCC3)Cc1ccccc1)CC2)C(=O)OC(C)(C)C	SCHEMBL300339,PC-id_66647444	479.611	PFVBPYAVAFMKMK-SYZGEQSJSA-N	00000010100010110101000000000110000000000000000000000000	31-01-147271
COC(=O)c1c(NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)sc2c1CCCCC2	MCULE-4659012406,CoCoCo_3641012,PC-id_26508672,EMOLS-id_25629856,ZINC22_15292604	479.613	FHHKCEVUASMDLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147272
COC(=O)c1c(NC(=O)CN(C(c2ccc(cc2)S(=O)(=O)N)C)C)sc2c1CCCCC2	EMOLS-id_24989271,PC-id_42918147,MCULE-8322404793	479.613	BQPWGTFXUVRXCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147273
COC(=O)c1c(NC(=O)CN(C)[C@H](C)c2ccc(S(=O)(=O)N)cc2)sc2c1CCCCC2	PC-id_39783951,CoCoCo_3850099,CoCoCo_3850097,ZINC22_32542248	479.613	BQPWGTFXUVRXCX-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147274
COC(=O)c1c(NC(=O)CN(C)[C@@H](C)c2ccc(S(=O)(=O)N)cc2)sc2c1CCCCC2	ZINC22_32542247,CoCoCo_3850100,CoCoCo_3850098,PC-id_39783949	479.613	BQPWGTFXUVRXCX-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147275
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC	PC-id_46429236	479.613	TVUFIOPPTWUOKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147276
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N(CC)CC)c(OC)cc1	PC-id_26778409	479.613	OQAGUQLQNVAMFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147277
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)c(OC)cc1	PC-id_31845626	479.613	UGQDJQAHEIGJAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147278
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)NC(C)C)c(OC)cc1	PC-id_25444334	479.613	HHAPJLMAFAFZBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147279
S(=O)(=O)(N1CCCCC1)c1cc(n(c1)C)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_55763172	479.613	OPVHYLDHRCDWLW-UHFFFAOYSA-N	00000000110010000100000000000010000000000000000000000000	31-01-147280
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3ccc(cc3)CC)CCn12	MCULE-3262516379,PC-id_45178106,EMOLS-id_20433225	479.614	YKZCYRWBSQPPKO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147281
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3cc(C)ccc3C)CCn12	MCULE-1379157953,PC-id_45171371,EMOLS-id_20404160	479.614	VIYNYIAOUSJCRR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147282
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3ccc(c(C)c3)C)CCn12	PC-id_45213183,EMOLS-id_20585685,MCULE-7297324505	479.614	AHTGVZUYDOLAGE-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147283
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3cc(C)cc(C)c3)CCn12	PC-id_45223173,EMOLS-id_20627851,MCULE-8603610628	479.614	SWVLAUCBJQRZMU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147284
CCc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccc(COC)o4)n3CC2)cc1	PC-id_28390952,CoCoCo_1176974,ZINC22_19837435,CoCoCo_1176973	479.614	YKZCYRWBSQPPKO-HSZRJFAPSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147285
CCc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccc(COC)o4)n3CC2)cc1	ZINC22_19837437,PC-id_28390954,CoCoCo_1176975,CoCoCo_1176976	479.614	YKZCYRWBSQPPKO-QHCPKHFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147286
CCC1CCC(=O)c2c(N(C(=N)C1)CC)nc(n2Cc1ccc2c(c1)OCO2)NC1CCCCC1	PC-id_143231861	479.614	DZDHNFMJKODCFT-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-147287
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cc(C)ccc2C)CC3)o1	CoCoCo_1137267,CoCoCo_1137268,PC-id_30853927,ZINC22_23130164	479.614	VIYNYIAOUSJCRR-HSZRJFAPSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147288
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cc(C)ccc2C)CC3)o1	ZINC22_23130161,PC-id_30853924,CoCoCo_1137270,CoCoCo_1137269	479.614	VIYNYIAOUSJCRR-QHCPKHFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147289
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(C)c(C)c2)CC3)o1	CoCoCo_1397010,PC-id_26351585,CoCoCo_1397011,ZINC22_14995961	479.614	AHTGVZUYDOLAGE-HSZRJFAPSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147290
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cc(C)cc(C)c2)CC3)o1	CoCoCo_1459993,CoCoCo_1459994,PC-id_26327111,ZINC22_14968543	479.614	SWVLAUCBJQRZMU-HSZRJFAPSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147291
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cc(C)cc(C)c2)CC3)o1	ZINC22_14968539,CoCoCo_1459995,CoCoCo_1459996,PC-id_26327107	479.614	SWVLAUCBJQRZMU-QHCPKHFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147292
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(C)c(C)c2)CC3)o1	ZINC22_14995959,CoCoCo_1397013,PC-id_26351581,CoCoCo_1397012	479.614	AHTGVZUYDOLAGE-QHCPKHFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147293
NC(=O)c1c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCCCC2	ZINC22_32125090,PC-id_21234848	479.614	OMSRNPSHEFRJTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147294
NC(=O)c1c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCCCC2	PC-id_20166123,ZINC22_32125213	479.614	ZYVKCFDKHIYODT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147295
o1c(CN2CCn3c(nnc3CC2)C(NC(=O)c2cc(cc(c2)C)C)CC(C)C)ccc1COC	PC-id_45929705	479.614	JOGGKCVNQYNHBP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147296
O=C(NC1CCCCC1)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)CC	PC-id_42855113	479.614	QXLJUSGGQPFOIC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147297
O=C(NC1CCCCC1)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)CC(C)C	PC-id_46049907	479.614	TXHYRMWPJVYBTR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147298
s1c2CCCCCc2c(c1NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C)cc1)C#N	PC-id_23854055	479.614	LAQGNEYHLWSIPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147299
c1(NC(=S)Nc2cn(nc2C(=O)NCCOC)CC)sc2c(CCCCC2)c1C(=O)OC	TIMTEC64733,CoCoCo_6811008,PC-id_17375682,MCULE-4354612612,ZINC22_20215289,EMOLS-id_4159729	479.616	AWCSWMFBDGNWQK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147300
Cc1ccc(NC(=O)[C@H](C)Sc2nnc3n2CCCCC3)cc1S(=O)(=O)N1CCOCC1	PC-id_40862599,ZINC22_8898709,CoCoCo_3081912	479.616	UNTVINYYWZPINE-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147301
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc3n2CCCCC3)cc1S(=O)(=O)N1CCOCC1	ZINC22_8898703,CoCoCo_3081911,GD-id_ZINC08898703,PC-id_40862595	479.616	UNTVINYYWZPINE-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147302
CC(C(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C)Sc1nnc2n1CCCCC2	EMOLS-id_11750730,PC-id_16319014,MCULE-3905354789	479.616	UNTVINYYWZPINE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147303
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	CoCoCo_1178388,PC-id_42372066,ZINC22_12041109,CoCoCo_1178387	479.616	GXTLJHFHZIEEMN-QHCPKHFHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147304
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	PC-id_42372064,ZINC22_12041105,CoCoCo_1178386,CoCoCo_1178385	479.616	GXTLJHFHZIEEMN-HSZRJFAPSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147305
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12	EMOLS-id_20434199,PC-id_45178339,MCULE-2481536860	479.616	GXTLJHFHZIEEMN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147306
CCOc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1S(=O)(=O)N1CCCC1	ZINC22_9728933,MCULE-3131411814,PC-id_16328452,EMOLS-id_43952077,CoCoCo_4054343	479.616	ZVJRNCJFWHBDAB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-147307
COc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1S(=O)(=O)N1CCCCC1	MCULE-2589646963,EMOLS-id_11748398,CoCoCo_3081733,PC-id_16317490,ZINC22_13114640	479.616	LQIPCOLFJGAOHJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147308
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc2n1CCCCC2	EMOLS-id_43775494,PC-id_16318094,CoCoCo_3081731,MCULE-7804697518,ZINC22_8966131	479.616	IZQWJQOKYQVNLK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147309
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1nc(n(c1)C)C	PC-id_56227959	479.616	XZAUFOORNSTMCV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147310
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1nc(n(c1)C)C	PC-id_56230278	479.616	MWXCMDZHOAGHOJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147311
Cc1cccc(c1)n1c(N)cc(=O)nc1SCC(=O)Nc1sc2CCCCCCc2c1C#N	PC-id_2165094,EMOLS-id_1998973,ZINC22_2746310,CoCoCo_1840633,ChEMBL-DNDi_CHEMBL7538486,TIMTEC157897,MCULE-6488108198	479.618	FVTWLWJRGGXIID-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147312
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC=C)C#N	PC-id_19730844	479.618	OUPXNQWHUBVEDA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147313
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)CC=C)C#N	PC-id_17301723	479.618	GXYRPLXLZNVMPB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147314
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)CC=C)C#N	PC-id_19730459	479.618	ZCHIUDJFTNYSKP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147315
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)CC=C)C#N	PC-id_19733312	479.618	XGBIDMIDWYABAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147316
S(=O)(=O)(C1(CCCCCCCCc2n(cc(C1)c2)Cc1ccccc1)C(=O)O)c1ccccc1	PC-id_11005329	479.631	FNXFOYGOVBPJDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147317
S(=O)(=O)(NCCCCc1c2-c(c(c1)/C=C/C(=O)OCC)ccc(C(C)C)cc2)c1ccccc1	PC-id_11754862	479.631	AVYHXHSVCVJEOY-OBGWFSINSA-N	00000010100000110110000000000010000000000000000000000000	31-01-147318
S(=O)(=O)(NCCCCc1c2-c(c(c1)C=CC(=O)OCC)ccc(C(C)C)cc2)c1ccccc1	PC-id_73086812	479.631	AVYHXHSVCVJEOY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-147319
c1(c2CCCCCc2sc1NCc1ccc(cc1)N(C)C)C(=O)Nc1ccc(cc1OC)OC	PC-id_1818468,MCULE-1828929362,EMOLS-id_8281517,CoCoCo_5978300,SPECS-id_AP-064/40658047,ZINC22_2182446	479.634	WDVWIONKSHZZEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147320
CC1=CC(CCOC1)Cn1c2c(cn1)C#CC(C=C2)S(=O)(=O)N(CC(C)C)c1ccccc1C	PC-id_137446268,SCHEMBL20684556	479.634	HJYQPGHRTBVCSJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-147321
O=C([C@H]1CCCN1C(=O)c1ccccc1)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2	PC-id_57971097,SCHEMBL12057620	479.634	LXNKGFJVFUDAQF-OAQYLSRUSA-N	00000010100010110100000000000010000000000000000000000000	31-01-147322
s1c2c(c(c1NC(=O)C1N(CCC1)C(=O)c1ccccc1)C(=O)N1CCCCC1)CCCCC2	PC-id_76677873	479.634	LXNKGFJVFUDAQF-UHFFFAOYSA-N	00000010100010110100000000000010000000000000000000000000	31-01-147323
COc1cccc(c1)C(=O)Nc1nc2c(s1)CC[N@H+](CC2)Cc1ccccc1N1CC[NH2+]CC1	GD-id_ZINC45202770	479.638	CWCZGDVMDNWYDC-UHFFFAOYSA-P	00000000100010110101100000000010000000000000000000000000	31-01-147324
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)CC(=O)NCc1ccccc1)C#N	PC-id_55494072	479.638	CVSXXOSNVGIHCK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147325
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)CC(=O)NCc1ccccc1)C)C#N	PC-id_24596403	479.638	MUTNNLDHRKXEAQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147326
S(CC(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CCCCC)c1n2CCCCCc2nn1	PC-id_74265856	479.639	CNMHELDQNBWLLZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147327
c1(c2CCCCCc2sc1NC(=O)C(c1ccccc1)Sc1ccccc1)C(=O)OC(C)C	MCULE-3052580021,PC-id_5046708,EMOLS-id_4159755,TIMTEC250489	479.654	JVDUFHORDYRKTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147328
c1(NC(=O)C(c2ccccc2)Sc2ccccc2)sc2c(CCCCC2)c1C(=O)OCCC	EMOLS-id_4159753,SPECS-id_AK-968/12162124,TIMTEC432306,MCULE-5148530780,PC-id_5212552	479.654	RQDYUJUMUIVAFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147329
c1(NC(=O)C(c2ccccc2)Sc2ccccc2)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_4291564,SPECS-id_AK-968/15602041,EMOLS-id_4159751,TIMTEC314611,MCULE-5098679521	479.654	MOPIFWKWEDUCJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147330
CCC1CCc2nc(n(c2C(=O)CCC(C1=O)C)Cc1ccc(c(c1)C)OC)NC1CCCCC1	PC-id_143302395	479.654	CKOZMKLAWDIIRA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147331
CCCOC(=O)c1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCC2	CoCoCo_6786251,ZINC22_2083737,PC-id_1742619	479.654	RQDYUJUMUIVAFE-DEOSSOPVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147332
CC(C)OC(=O)c1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCC2	PC-id_40434409,ZINC22_2739073,CoCoCo_1739678	479.654	JVDUFHORDYRKTD-XMMPIXPASA-N	00000000100000110100000000000010000000000000000000000000	31-01-147333
CC(C)OC(=O)c1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCC2	PC-id_40434410,CoCoCo_1739679,ZINC22_2739074	479.654	JVDUFHORDYRKTD-DEOSSOPVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147334
CCCOC(=O)c1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCC2	ZINC22_2083736,CoCoCo_6786250,PC-id_1742618	479.654	RQDYUJUMUIVAFE-XMMPIXPASA-N	00000000100000110100000000000010000000000000000000000000	31-01-147335
CCOC(=O)c1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2	CoCoCo_6786931,ZINC22_2761433,PC-id_40437569	479.654	MOPIFWKWEDUCJB-XMMPIXPASA-N	00000000100000110100000000000010000000000000000000000000	31-01-147336
CCOC(=O)c1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2	ZINC22_2761434,CoCoCo_6786932,PC-id_40437570	479.654	MOPIFWKWEDUCJB-DEOSSOPVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147337
NC(C1CCC(CC1)C(C)(C)C)CCOc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2	SCHEMBL7397062,PC-id_70078247	479.654	NTWSQDCIPSGQLK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147338
NC(Oc1cccc(c1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)CCC1CCC(CC1)C(C)(C)C	PC-id_70078248,SCHEMBL7397065	479.654	MJYHRJAWBFIOJN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147339
O=C(c1c[nH]c2c1C(=O)CCCC2)Nc1cccc(c1)OCCCNC1CCC(CC1)C(C)(C)C	SCHEMBL6095563,PC-id_21953131	479.654	RRHLSYKBTHANES-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147340
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCN(CC1)C(=O)C1CCCO1	EMOLS-id_2244187,MCULE-4627473024,TIMTEC432060,PC-id_2957419	479.656	RPWQERMTFJJTDG-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-147341
CCOC(=O)c1c(NC(=S)N2CCN(C(=O)[C@H]3CCCO3)CC2)sc2c1CCCCCC2	CoCoCo_1001217,PC-id_2211066,ZINC22_2857785	479.656	RPWQERMTFJJTDG-QGZVFWFLSA-N	00000010100010000101000000000010000000000000000000000000	31-01-147342
CCOC(=O)c1c(NC(=S)N2CCN(C(=O)[C@@H]3CCCO3)CC2)sc2c1CCCCCC2	ZINC22_2857786,PC-id_2211067,CoCoCo_1001216	479.656	RPWQERMTFJJTDG-KRWDZBQOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-147343
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C#N)N1CCCCCC1	PC-id_16599111	479.659	ABNOPHQPWSQVAV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147344
S(=O)(=O)(N1CC[NH+](CC1)CCC(=O)Nc1sc2c(CCCCC2)c1C#N)c1sccc1	PC-id_41252051	479.659	CLAFYTODAQJIOI-UHFFFAOYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-147345
S(=O)(=O)(N1CC[NH+](CC1)C(C)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1sccc1	PC-id_74752411	479.659	VUJMZVCNDPIRNO-UHFFFAOYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-147346
S(=O)(=O)(N1CC[NH+](CC1)[C@@H](C)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1sccc1	PC-id_41208165	479.659	VUJMZVCNDPIRNO-HNNXBMFYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-147347
S(=O)(=O)(N1CC[NH+](CC1)[C@H](C)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1sccc1	PC-id_41208167	479.659	VUJMZVCNDPIRNO-OAHLLOKOSA-O	00000000100110000101000000000010000000000000000000000000	31-01-147348
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC)C#N	PC-id_20125015	479.661	FWXNDYOTDRZFFD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147349
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)C)C#N	PC-id_20124684	479.661	RLWOUCJTNMFOAR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147350
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)C)C#N	PC-id_20124907	479.661	FLUGXJIWCKRVET-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147351
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC)C#N	PC-id_17303019	479.661	STRTXQVXNMURKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147352
c1(NC(=S)NNC(=O)c2csc(C)c2CC)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_6799947,MCULE-2184365529,EMOLS-id_4159767,TIMTEC164122,PC-id_3274171	479.679	GCUXMLOWXOTBLD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-147353
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1cccc(c1Cl)Cl	SCHEMBL6991697,PC-id_69954716	479.807	SPJYSMNEKVOWNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147354
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1cc(Cl)cc(c1)Cl	SCHEMBL6991577,PC-id_69954682	479.807	NYYCHMKTNNECKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147355
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1c(Cl)cccc1Cl	PC-id_19029042,SCHEMBL6984078	479.807	RJFGPPDEROVLME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147356
Clc1ccc(c(c1)Cl)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1CCCCc2c1ccs2	GLL_PC-id_44213483,PC-id_44213483,SCHEMBL8796707	479.807	MSFBZNIMDUCLIG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147357
Clc1cc(ccc1C(=O)N1CCCCc2c1ccs2)NC(=O)c1c(Cl)cccc1Cl	SCHEMBL8797156,PC-id_57243625	479.807	NZMOOXCLMKMYFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147359
Clc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1cc(s2)Cl)Cl	SCHEMBL6991584,PC-id_69954685	479.807	RMLXDQITBYBCML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147360
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1	PC-id_57030756	479.807	LTVVCKPAFROLEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147361
Clc1c(C(=O)Nc2ccc(C(=O)N3CCCCc4sccc34)cc2)cc(Cl)cc1Cl	PC-id_57050154	479.807	XGYWESQWKKFIQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147362
Clc1c(C(=O)Nc2ccc(C(=O)N3CCCCc4sccc34)cc2)c(Cl)cc(Cl)c1	PC-id_57140399	479.807	XXMYCQLAFOOCEY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147363
O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc23)cc1)c1ccc(Cl)cc1Cl	PC-id_21467152,BindingDB_PC-id_21467152,SCHEMBL6988967,CHEMBL159831	479.807	KGJITLSWWDQHRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147364
Clc1c(cc(S(=O)(=O)NCCC(=O)NCc2n3CCCCCc3nn2)cc1)C(F)(F)F	PC-id_55522294	479.904	DKMJWXALFMQXJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147365
Clc1ccc(Cn2nc(c(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)c2C)C)cc1	PC-id_19527297	479.926	PAHLOXPPMJRKMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147366
Clc1cc(Cn2nc(c(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)c2C)C)ccc1	PC-id_19523794	479.926	WGPLKFDSCKXPLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147367
c12C(=O)N(CCCn1nc(C(=O)NCCc1c[nH]c3ccc(Cl)cc13)c2)Cc1ccc(cc1)F	MCULE-4279423577,PC-id_50797848,EMOLS-id_32846228	479.934	SRKICLGPMIFFFT-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-147368
Fc1cccc(c1)C(=O)NCc1nnc2CCN(Cc3ccc(o3)c3cccc(Cl)c3)CCn12	ChEMBL-DNDi_CHEMBL31739628,CoCoCo_1299061,MCULE-2907841433,ZINC22_20782355,EMOLS-id_20519199,CoCoCo_1299060,PC-id_29152720	479.934	BYJMXWSUABMBHP-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-147369
Clc1ccc(Sc2c(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)cccc2)cc1	PC-id_19527304	479.946	SGCZRLDLXGQVLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147370
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(c(OC)c3Cl)OC)CCn12	MCULE-8901849893,PC-id_45178253,ChEMBL-DNDi_CHEMBL16453919,EMOLS-id_20433855	480	XHCBTIVNNJOQPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147371
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(OC)c(OC)c1Cl)CC2	CoCoCo_1177916,PC-id_42371581,ZINC22_12040585,CoCoCo_1177917	480	XHCBTIVNNJOQPS-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147372
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(OC)c(OC)c1Cl)CC2	CoCoCo_1177919,PC-id_42371577,ZINC22_12040581,CoCoCo_1177918	480	XHCBTIVNNJOQPS-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147373
N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)sc2c1CCCCC2	PC-id_44324523,BindingDB_PC-id_44324523,CHEMBL93651	480	BKFNUNHZDUVMIV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147374
Clc1ccc(COc2c(C(=O)N3CCN(CC3)Cc3n4CCCCCc4nn3)cccc2)cc1	PC-id_46449545	480.002	PPHTWTHYYHOGOJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147375
Clc1c(COc2c(C(=O)N3CCN(CC3)Cc3n4CCCCCc4nn3)cccc2)cccc1	PC-id_46449522	480.002	DNQWJVCKYRVXIC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147376
Clc1ccc(cc1)C(CN1Cc2ccccc2C1=O)CC(=O)Nc1nc2CCCCCc2s1	EMOLS-id_323298362,MCULE-2467568724	480.022	HQXGCNOAAIOFFD-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-147377
Clc1ccc(S(=O)(=O)NCCCCc2c3-c(c(S(=O)O)c2)ccc(C(C)C)cc3)cc1	PC-id_57164271	480.04	BNCRKUMXDVZAJG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-147378
Clc1c2nc(sc2ccc1)NC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_20180395	480.066	HGGYKDMNTLDRDQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-147379
CN1C=C2C(=C1C(=O)NC3=CC(=C(C(=C3)F)F)F)CC[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)F	PC-id_154991305	480.124	DPEGTICFVPGUKV-PXYRPBPISA-N	00000000100000110101000000000010000000000000000000000000	31-01-147380
CC1=C(SC2=C1SC[C@@H](C(=O)N2C)NC(=O)C3=NN=C(C3)CC4=CC=CC=C4)C#CCOC	PC-id_164113207	480.129	UCEYEBCEMCTNBH-IBGZPJMESA-N	00000011100000110101000000000010000000000000000000000000	31-01-147381
C1COCCN1CCOC2=CC=C(C=C2)C(=O)C3CNC=C(C4=NNC(=C34)C(F)(F)F)C(=O)O	PC-id_151493275	480.162	POXGDHMMBWCHQS-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-147382
CN1C=C2C(=N1)C=CC=C2C(=O)CCCCCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_162022261	480.181	YUWZSPJTRDQQHW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-147383
Ic1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)cc(cc1)C(F)(F)F	PC-id_56284199	480.224	REZVVGBSKDKPKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147384
CCC1=CNc2c(ccn2CCC[NH+](CCCOC)[O-])C(=Nc2ccc(cc2)OC(F)(F)F)C1	PC-id_163598681	480.235	IFAYFILTGKIVOV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-147385
Brc1c2sc(CS(=O)(=O)CCCCCCS(=O)(=O)C2)c1Br	PC-id_10576682	480.256	GJZTUTAYASHRQL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147386
Ic1ccc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_4000199	480.319	HMYBBOMARDUEDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147387
Ic1cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc1	PC-id_5021104	480.319	LGDKVSUKINYHJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147388
Ic1c(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cccc1	PC-id_3473300	480.319	XPSZIVXRXGPMQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147389
C/C=C(SC1C(=C)S/C(=C/c2c([C@H](C1C)C)cc(s2)Br)/C)/Br	PC-id_139381420	480.344	NIAZRRKAJNVSKW-QVBNJCTJSA-N	00000000100000000110000000000010000000000000000000000000	31-01-147390
C/C=C(SC1C(=C)S/C(=C/c2c([C@H]([C@H]1C)C)cc(s2)Br)/C)/Br	SCHEMBL21236037	480.344	NIAZRRKAJNVSKW-OIKUOFHQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-147391
C1CN(Cc2cc(nn2C1)C(C(=O)O)N)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460253,SCHEMBL16099389	480.361	QILVJGDWOZXMFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147392
CCOC(=O)c1c2CN(CCCn2nn1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16099909,PC-id_90460640	480.361	ONRUKVRQXDCQJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147393
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)[O-])cc(c(=O)c(c2)Cl)Cl	GLL_PC-id_19102900	480.363	KJMMHRLXAUJTCA-UHFFFAOYSA-M	00000000100000110111100000000010000000000000000000000000	31-01-147394
Clc1cc(C(=O)NCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc1Cl	PC-id_24367284	480.364	YYWXXNBCWPDZNK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147395
Brc1ccc(CC(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_3934000	480.372	CAMXZPYUIKKJBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147396
Brc1cc(CN(CC(=O)Nc2sc3CCCCCc3c2C#N)CCO)c(F)cc1	PC-id_60233600	480.394	BYAUPWIYITYNRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147397
BrC(=CC1OC(=O)C#CC=C(CC(OC(=O)CCCCc2nc(sc2)C1)C)C)C	PC-id_72452140	480.415	NJJGFWGOWNSDLM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-147398
Br/C(=C/[C@H]1OC(=O)C#C/C=C(/C[C@@H](OC(=O)CCCCc2nc(sc2)C1)C)C)/C	PC-id_58885290	480.415	NJJGFWGOWNSDLM-RLGXHKCQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-147399
PCOc1ccc(cc1)C#Cc1ccc2-c(cc1)cc(c2)C(=O)Oc1cc(C)c(c(=O)n1C)C#N	SCHEMBL14032630,PC-id_58676060	480.451	XZYJEUWOIOTKSF-UHFFFAOYSA-N	00000010100000111110000000000010000000000000000000000000	31-01-147400
O=C(c1n(C)cc2c1OC[C@@H](NS2(=O)=O)Cc1cccnc1)Nc1ccc(c(c1)C(F)F)F	SCHEMBL18352787	480.46	VRDBROSEMBEFQY-AWEZNQCLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147401
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)Cc1cccnc1)Nc1ccc(c(c1)C(F)F)F	PC-id_140762732	480.46	VRDBROSEMBEFQY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147402
CCOC(=O)Oc1c2-c(ccc(cc2)CC(=O)NOCC(COC)O)c(c1N)OC(=O)OCC	PC-id_88125526,SCHEMBL7305239	480.465	JAWKVWQHWKWBCD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147403
OCCOCCONC(=O)Cc1ccc2-c(cc1)c(c(c2OC(=O)OCC)N)OC(=O)OCC	SCHEMBL7311309	480.465	PPSQOYOYYVNGMP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147404
CC(OC(=O)N1CCCC(c2c1csc2)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	PC-id_58964432,SCHEMBL4768560	480.467	QUVUCWSZEYSCAB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147405
Cn1ccc(n1)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)F)C	SCHEMBL18352878	480.488	BLSUYVPUQPEXEC-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-147406
C1CC(C1)NC(=O)c1c(cc(cc1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89579956,SCHEMBL14965487	480.492	IWPAPIYSUMBIKB-UHFFFAOYSA-N	00001000100000111101100000000010000000000000000000000000	31-01-147407
C1CC(C1)NC(=O)c1c(ccc(c1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965814,PC-id_89580192	480.492	GSRYAOXYUJDEQN-UHFFFAOYSA-N	00001000100000111101100000000010000000000000000000000000	31-01-147408
C1CCN(C1)C(=O)c1c(cc(cc1)c1nccc(c1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580211,SCHEMBL14965835	480.492	QKEDNRLRHYMCBQ-UHFFFAOYSA-N	00000010100000111101100000000010000000000000000000000000	31-01-147409
C1CCN(C1)C(=O)c1c(ccc(c1)c1nc(ccc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580373,SCHEMBL14966064	480.492	PMTCDFLNJXNJHP-UHFFFAOYSA-N	00000010100000111101100000000010000000000000000000000000	31-01-147410
C1CCN(C1)C(=O)c1c(cc(cc1)c1nc(ccc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580587,SCHEMBL14966353	480.492	MCZRBVUIAAAFKV-UHFFFAOYSA-N	00000010100000111101100000000010000000000000000000000000	31-01-147411
C1CCN(C1)C(=O)c1c(cc(cc1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965820,PC-id_89580198	480.492	XSLDONIEMJTSDV-UHFFFAOYSA-N	00000010100000111101100000000010000000000000000000000000	31-01-147412
C1CCN(C1)C(=O)c1c(ccc(c1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965844,PC-id_89580217	480.492	LBRZVEGETWNYEX-UHFFFAOYSA-N	00000010100000111101100000000010000000000000000000000000	31-01-147413
s1c2c(CCN(Cc3ccccc3)C=C(C2)C(=O)C)c(c1NC(=O)C(F)(F)F)C(=O)OCC	PC-id_25136700	480.5	CIOYCLNPDIGMRK-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-147414
Cc1nnc2n1CCC[C@H](N(C2)S(=O)(=O)c1ccccc1OC(F)(F)F)Cc1ccccc1	SCHEMBL14732891,PC-id_71277455	480.503	BZVLSPVGEDOXKY-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147415
F[C@@H]1C[C@H](N(C1)C(=O)Cc1cc(c2-c1ccc(cc2)O)C(=O)C)C(=O)NCc1cccc(c1F)C	SCHEMBL18826379	480.503	JZFIUQVQKBTRQU-DVECYGJZSA-N	00000010100000110110000000000010000000000000000000000000	31-01-147416
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc(c2c1nc(cc2C(F)(F)F)C)C)C(=O)OC	PC-id_19503799	480.503	PRTJUHYXOGFUCL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-147417
S(=O)(=O)(N1C(CCCn2c(nnc2C)C1)Cc1ccccc1)c1c(OC(F)(F)F)cccc1	PC-id_78047644	480.503	BZVLSPVGEDOXKY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147418
s1c2c(CCCCC2)c(c1NC(=O)CCc1c(n2nc(nc2nc1C)C(F)(F)F)C)C(=O)N	PC-id_55433497	480.507	IEUUCQKKUZRQHI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-147419
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(C(=O)C=Cc3cccc(F)c3F)CCn12	MCULE-1873261975,PC-id_75101340	480.51	SHQYWPQOIRBGJP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147420
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)/C=C/c1cccc(F)c1F)CC2	CoCoCo_1488642,ZINC22_19799969	480.51	SHQYWPQOIRBGJP-JJNABOQBSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147421
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)/C=C/c1cccc(F)c1F)CC2	ZINC22_19799971,CoCoCo_1488640	480.51	SHQYWPQOIRBGJP-ZUTVHTERSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147422
CC(C)C(NC(=O)c1ccccn1)c1nnc2CCN(CCn12)C(=O)/C=C/c1cccc(F)c1F	EMOLS-id_232763628,PC-id_45227679	480.51	SHQYWPQOIRBGJP-MDZDMXLPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147423
O=C(N1CCn2c(CC1)nnc2[C@@H](C(C)C)NC(=O)c1ccccn1)/C=Cc1cccc(c1F)F	CoCoCo_1488641	480.51	SHQYWPQOIRBGJP-DJYGDJEFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147424
O=C(N1CCn2c(CC1)nnc2[C@H](C(C)C)NC(=O)c1ccccn1)/C=Cc1cccc(c1F)F	CoCoCo_1488643	480.51	SHQYWPQOIRBGJP-AXKWSIDASA-N	00000000100000111101000000000010000000000000000000000000	31-01-147425
O=C(c1cc(ccc1c1ccccc1)[N+](=O)[O-])Nc1ccc(cc1)C(=O)N1CCCCc2c1cc[nH]2	PC-id_139709986	480.515	MYNPZUKONAFKFX-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-147426
O(C(=O)c1c2-c(c(c1)C(=C(C#N)C#N)C(=C(C#N)C#N)C#Cc1ccccc1)cccc(C(C)C)c2)C	PC-id_71489216	480.516	ZVUAXVDBPOUVTJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-147427
O=C(c1c(F)cccc1F)NCc1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)C#CC(O)(C)C	GD-id_ZINC12078795	480.53	CCHVURBLAYGPTR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147428
Fc1cccc(F)c1C(=O)NCc1nnc2CCN(Cc3nc(cs3)c3ccccc3)CCn12	ZINC22_23337708,PC-id_31015933,EMOLS-id_20564637,CoCoCo_1365258,MCULE-9387232101,CoCoCo_1365257	480.533	AZRPQPXTCIMAPG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147429
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNc1ccc(cc1)F)Cc1ccccc1C#N	PC-id_134809013	480.536	ZZEXACFIUWMOAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147430
O1c2cc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)COc4ccccc4)C)CC3)cc(OC)c2OC1	PC-id_28810715	480.536	VTYVDQOZJAYWRU-QGZVFWFLSA-O	00000010100000110101000000001010000000000000000000000000	31-01-147431
O1c2cc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)COc4ccccc4)C)CC3)cc(OC)c2OC1	PC-id_28810719	480.536	VTYVDQOZJAYWRU-KRWDZBQOSA-O	00000010100000110101000000001010000000000000000000000000	31-01-147432
O1c2cc(C[NH+]3CCn4c(nnc4C(NC(=O)COc4ccccc4)C)CC3)cc(OC)c2OC1	PC-id_74570116	480.536	VTYVDQOZJAYWRU-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-147433
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)C)C#N	PC-id_56109083	480.536	FARRIDVMOKIGPV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-147434
CC1(C)C(=O)/C=CC(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)/C=CC(=O)C(C)(C)C(=O)/C=C/C1=O	CoCoCo_5682660,ZINC22_73116347,PC-id_95905498	480.549	OAVCWCVIFBSXIA-GYNZSHGWSA-N	00000000100000000110000000000010000000000000000000000000	31-01-147435
CC1(C)C(=O)/C=CC(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)/C=C/C(=O)C(C)(C)C(=O)/C=C/C1=O	ZINC22_73116350,CoCoCo_5682662,PC-id_95905499	480.549	OAVCWCVIFBSXIA-RMCUQVEVSA-N	00000000100000000110000000000010000000000000000000000000	31-01-147436
CC1(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)C=CC1=O	MCULE-8511270383,ZINC22_254128395,PC-id_361838	480.549	OAVCWCVIFBSXIA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-147437
CC1(C)C(=O)/C=CC(=O)C(C)(C)C(=O)/C=CC(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)/C=CC1=O	NSC625154,CoCoCo_5682659,ZINC22_73116342	480.549	OAVCWCVIFBSXIA-OXJRGYCCSA-N	00000000100000000110000000000010000000000000000000000000	31-01-147438
CC1(C)C(=O)/C=CC(=O)C(C)(C)C(=O)/C=C/C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)/C=CC1=O	PC-id_95712985,CoCoCo_5682661,ZINC22_72139496	480.549	OAVCWCVIFBSXIA-BPSYLICQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-147439
O=C1/C=C/C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)/C=C/C(=O)C(C(=O)/C=CC(=O)C1(C)C)(C)C	CoCoCo_5682663	480.549	OAVCWCVIFBSXIA-ACHNQTNHSA-N	00000000100000000110000000000010000000000000000000000000	31-01-147440
O=C1/C=C/C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)/C=C/C(=O)C(C(=O)/C=C/C(=O)C1(C)C)(C)C	CoCoCo_5682664	480.549	OAVCWCVIFBSXIA-RODRCMNRSA-N	00000000100000000110000000000010000000000000000000000000	31-01-147441
COc1cc(/C=CC(=O)O)cc(c1OC)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	CoCoCo_3538126	480.554	BCTSYHFLEHJTQQ-HJWRWDBZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147442
COc1cc(C=CC(=O)O)cc(c1OC)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	EMOLS-id_29954329,PC-id_72081082,MCULE-4682224210	480.554	BCTSYHFLEHJTQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147443
COc1cc(/C=C/C(=O)O)cc(c1OC)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_26968571,MCULE-2414969629,CoCoCo_3538125	480.554	BCTSYHFLEHJTQQ-CMDGGOBGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147444
s1c2CCCCCc2c(c1NC(=O)C(Nc1cc(NC(=O)c2c(occ2)C)c(F)cc1)C)C#N	PC-id_55915245	480.554	OHTZSGRKLPWQFS-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-147445
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_44009385	480.554	SFSLLGXZDWMQSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147446
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(ccc(c1)C(=O)OC)C(=O)OC	PC-id_24421464	480.554	BXTRTAHKKHSGCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147447
Cc1c([nH]c2c1C(=O)N(CCC2)CC(CN1CCOCC1)O)C=C1c2c(cc(cc2)OC)NC1=O	PC-id_87485341,SCHEMBL3144910	480.556	QOIRCVQUKBECKI-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-147448
COc1ccc2c(c1)NC(=O)/C/2=Cc1[nH]c2c(c1C)C(=O)N(CCC2)CC(CN1CCOCC1)O	PC-id_68527895,SCHEMBL3144905	480.556	QOIRCVQUKBECKI-MOSHPQCFSA-N	00000010100010100101000000001010000000000000000000000000	31-01-147449
COc1ccc2c(c1)NC(=O)C2=Cc1[nH]c2c(c1C)C(=O)N(CCC2)C[C@@H](CN1CCOCC1)O	PC-id_68527900,SCHEMBL3144914	480.556	QOIRCVQUKBECKI-QGZVFWFLSA-N	00000010100010100101000000001010000000000000000000000000	31-01-147450
COc1ccc2c(c1)NC(=O)/C/2=Cc1[nH]c2c(c1C)C(=O)N(CCC2)C[C@@H](CN1CCOCC1)O	SCHEMBL3144900,PC-id_59250060	480.556	QOIRCVQUKBECKI-VJOZSWGJSA-N	00000010100010100101000000001010000000000000000000000000	31-01-147451
O[C@H](CN1CCCc2[nH]c(c(c2C1=O)C)/C=C
/c2c(NC1=O)cc(OC)cc2)CN1CCOCC1	PC-id_25131957	480.556	QOIRCVQUKBECKI-IZQLPPHKSA-N	00000010100010100101000000001010000000000000000000000000	31-01-147452
c1(NC(=O)CSc2[nH]c(=O)c(c(O)n2)NC(=O)C)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC352327,PC-id_19589022,MCULE-8118873643,EMOLS-id_8066169,ZINC22_20168348	480.558	OEROCBBQDPGPRZ-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-147453
C/C=C/1NC(=O)c2csc(n2)CNC(=O)C[C@H](OC(=O)CNC1=O)/C=C/CCSC(=O)C	PC-id_145577485	480.558	DMUJHHYEBXMSSI-NSPFENSSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147454
C/C=C/1NC(=O)c2csc(n2)CNC(=O)CC(OC(=O)CNC1=O)/C=C/CCSC(=O)C	PC-id_145577482	480.558	DMUJHHYEBXMSSI-WUBPHGHESA-N	00000000100000000101000000000010000000000000000000000000	31-01-147455
s1c2c(CCCCC2)c(c1NC(=O)CSC1=NC(=O)C(NC(=O)C)C(=O)N1)C(=O)OCC	PC-id_4654924	480.558	RVGAMROCGQNIIN-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-147456
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@H](C(=O)N1CCN(CC1)C(=O)C)C	PC-id_93332354	480.559	CBNWBDWHIUNDMG-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147457
Cc1ccc(cc1)CN1CCCn2c(C1=O)cc(n2)C(=O)N[C@@H](C(=O)N1CCN(CC1)C(=O)C)C	PC-id_93332355	480.559	CBNWBDWHIUNDMG-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147458
CC(NC(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1)C(=O)N1CCN(CC1)C(=O)C	MCULE-4502881218,EMOLS-id_25387560,PC-id_46049670	480.559	CBNWBDWHIUNDMG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147459
CN(CC(=O)N1CCN(CC1)C(=O)C)C(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	EMOLS-id_25388072,MCULE-5632547878,PC-id_46049742	480.559	ABFSOJISLLFERF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147460
COc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(OC)c1OC	CoCoCo_1201163,MCULE-2104595291,ZINC22_14881844,CoCoCo_1201164,EMOLS-id_20450625,PC-id_26277532,ChEMBL-DNDi_CHEMBL19081900	480.559	MYDGHLKNCCJPAR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147461
COCCC(=O)NC(c1nnc2n1CCN(CC2)C(=O)c1onc(c1)c1ccccc1)CC(C)C	EMOLS-id_20634457,PC-id_45224795,MCULE-2843069033	480.559	JZNFJNYVHCWQMV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147462
COCCC(=O)N[C@H](c1nnc2n1CCN(CC2)C(=O)c1onc(c1)c1ccccc1)CC(C)C	PC-id_26331440,CoCoCo_1470190	480.559	JZNFJNYVHCWQMV-FQEVSTJZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147463
COCCC(=O)N[C@@H](c1nnc2n1CCN(CC2)C(=O)c1onc(c1)c1ccccc1)CC(C)C	PC-id_26331442,CoCoCo_1470189	480.559	JZNFJNYVHCWQMV-HXUWFJFHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147464
O=C(N1CCN(CC1)C(=O)C)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C	PC-id_42854983	480.559	MOFFPDVSWXMCFK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147465
O=C(N1CCN(CC1)C(=O)C)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C	PC-id_46159930	480.559	PHJYRNZYQWSKNM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147466
O=C(N1CCN(CC1)C(=O)C)C(NC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_42855012	480.559	SACCSXSNNOHFAS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147467
O=C(N1CCN(CC1)C(=O)C)CN(C(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	PC-id_46049772	480.559	DASNCEPWUREOGE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147468
O=C(N1CCN(CC1)C(=O)C)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_42854974	480.559	XPPHVWLQEWZYSE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147469
O=C(N1CCN(CC1)C(=O)C)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)C	PC-id_46159924	480.559	ROOHHCRXLWHWKF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147470
n12CCN(CCc1nnc2CNC(=O)CCc1cccnc1)C(=O)c1ccc(cc1)c1ccccc1	MCULE-2643619582,CoCoCo_1307821,ZINC22_11913237,EMOLS-id_20525203,PC-id_42277781	480.561	POTMLUVVZPLHMK-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-147471
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccc(F)cc1	PC-id_16923865	480.573	WNEUXVRRKJLEIE-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-147472
Fc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCC(=O)NCCN3CCOCC3)/C(=O)Nc2cc1	PC-id_60113712,SCHEMBL6694868	480.574	PMHLSNPVTHVYRD-XLNRJJMWSA-N	00000010100010100101000000001010000000000000000000000000	31-01-147473
Fc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)NCCN3CCOCC3)C(=O)Nc2cc1	PC-id_72651805	480.574	PMHLSNPVTHVYRD-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-147474
c1(c2CCCCCc2sc1NC(=O)COc1ccccc1)C(=O)Nc1ccc(cc1OC)OC	MCULE-7494457962,ZINC22_644071,CoCoCo_881281,SPECS-id_AP-064/40657024,EMOLS-id_2190710,PC-id_991356	480.576	WNFDPEKRTRXYCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147475
s1c2CCCCCc2cc1C(=O)OCC(=O)N(C1C(N(CCC)C(=O)NC1=O)N)CCOC	PC-id_74468740	480.578	ZZSPVLJLGRURND-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147476
CCOC(=O)c1sc2c(c1C)C(=NC=CC2)Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O	PC-id_142402629	480.579	GIUISBDCFDPEFU-UHFFFAOYSA-N	00000010100010100111000000000010000000000000000000000000	31-01-147477
COc1cc(C[N@@H+]2CCc3n(CC2)c(nn3)[C@@H](NC(=O)CCc2ccccc2)C)cc(c1O)OC	GD-id_ZINC11788089,PC-id_42168559	480.579	ZJKWRYGRYOUWNH-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147478
COCCn1c(C)cc(c1C)/C=C(C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2)/C#N	CoCoCo_2873439	480.579	SWRNKSDRPNTXGT-UNOMPAQXSA-N	00000000110000000100000000000010000000000000000000000000	31-01-147479
COCCn1c(C)cc(c1C)C=C(C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2)C#N	PC-id_4843764,MCULE-2804754704,EMOLS-id_26033978	480.579	SWRNKSDRPNTXGT-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-147480
COCCn1c(C)cc(c1C)/C=C(/C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2)C#N	PC-id_6218005,CoCoCo_2873440	480.579	SWRNKSDRPNTXGT-XDHOZWIPSA-N	00000000110000000100000000000010000000000000000000000000	31-01-147481
O(c1cc(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(cc3)C)CC2)cc(OC)c1OC)C	PC-id_26350246	480.579	JQPYJPKPKMGJIQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147482
O(c1cc(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)ccc1OC)CC	PC-id_42442297	480.579	BJSNMJOGBXUGQZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147483
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)cc(OC)c1O)C	PC-id_42168557	480.579	ZJKWRYGRYOUWNH-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147484
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cc(OC)c1O)C	PC-id_74780649	480.579	ZJKWRYGRYOUWNH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147485
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)ccc(OC)c1C)C	PC-id_42539821	480.579	SNMKTLLDZBBPRZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147486
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)Nc1ccccc1)C#N	PC-id_24366508	480.579	CSKROUGELNXVRU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147487
CCn1nc(C)c2c1CCCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1cc(F)c(C)c(F)c1	EMOLS-id_323984532,SCHEMBL3144319,CHEMBL461773,BindingDB_PC-id_24748750,PC-id_24748750	480.593	BJEYXQMLWATVMU-RPLLCQBOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147488
CNC(=O)[C@H](N1CCCc2c([C@H]1CCc1cc(F)c(c(c1)F)C)c(C)nn2CC)c1ccccc1	PC-id_68531355,SCHEMBL3153526	480.593	BJEYXQMLWATVMU-SHQCIBLASA-N	00000000100000110101000000000010000000000000000000000000	31-01-147489
CNC(=O)C(N1CCCc2c(C1CCc1cc(F)c(c(c1)F)C)c(C)nn2CC)c1ccccc1	PC-id_68530847,SCHEMBL3152372	480.593	BJEYXQMLWATVMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147490
COC(=O)c1cc(c2-c1c(C)cc(cc2C)C)C(=O)c1cc(c2-c1cc(ccc2C)C(C)C)C(=O)C	PC-id_102042070	480.594	JHSZQCNTQVYUER-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147491
O(C(=O)c1cc(C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)c2-c1ccccc2)C	PC-id_15209553	480.596	NOAPPDABMXXCEW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147492
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC	PC-id_24341553	480.598	RCSQPDDUPUABHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147493
C1(c2ccccc2C)(CC(=O)N(C)Cc2c3CCCCCc3[nH]n2)CC(=O)N(CCCOC)C1=O	PC-id_45170040,MCULE-1680679282,EMOLS-id_20398368	480.599	SNIPBXWUSMSKPV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-147494
COCCCN1C(=O)C[C@@](CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)(c2ccccc2C)C1=O	CoCoCo_1129628,CoCoCo_1129630,ZINC22_11963515,PC-id_42317412	480.599	SNIPBXWUSMSKPV-MHZLTWQESA-N	00000010100000110101100000000010000000000000000000000000	31-01-147495
COCCCN1C(=O)C[C@](CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)(c2ccccc2C)C1=O	PC-id_42317414,CoCoCo_1129629,CoCoCo_1129631,ZINC22_11963518	480.599	SNIPBXWUSMSKPV-HHHXNRCGSA-N	00000010100000110101100000000010000000000000000000000000	31-01-147496
s1c2nc(C(=O)NC(=CC)C(=O)NC(C(C)C)C(=O)OC(CC(=O)NC2)C=CCCS)c1	PC-id_72664706	480.601	PWOYGNLEMBIIES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147497
s1c2nc(C(=O)NC(=CC)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H](CC(=O)NC2)/C=C/CCS)c1	PC-id_60151224	480.601	PWOYGNLEMBIIES-VULOOSMASA-N	00000000100000000101000000000010000000000000000000000000	31-01-147498
S=CC/C=C/C1CC(=O)N[C@@H](CC)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc(C(=O)O1)cs2	PC-id_122216916	480.601	ZPQZDIYFNTWEHN-QZJGVOGVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147499
SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL14980396,BindingDB_PC-id_60151224	480.601	PWOYGNLEMBIIES-LCHKFDHZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147500
S(=O)(=O)(N1CC(CCC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1c(onc1C)C	PC-id_46666725	480.601	WQPZJVBXMSWIRU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147501
C1CN(CCN1CC)C(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	PC-id_46049635,EMOLS-id_25387540,MCULE-2234557508	480.602	DYCQZLCISJPCAU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147502
C1CN(CCN1CC)C(=O)C(NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)C(C)C	EMOLS-id_25387600,MCULE-1902193264,PC-id_46049604	480.602	IJXFBOFASMUQLX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147503
c1(NC(=O)CSc2[nH]c(=O)c(c(O)n2)Cc2ccccc2)sc2c(CCCCCC2)c1C#N	ZINC22_16275698,MCULE-4124805187,EMOLS-id_2217546,CoCoCo_939445,CoCoCo_939446,PC-id_2192710	480.602	RWISOAKEHHNJNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147504
Cc1ccccc1CN1CCCn2nc(cc2C1=O)C(=O)NCCC(=O)NCCN1CCCCC1	EMOLS-id_25387358,MCULE-4952139440,PC-id_46049788	480.602	HSWMVNOVFUUAIJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147505
C/C=C/1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)OCCCN1CCN(CC1)C(=O)C	PC-id_143188894	480.602	VJUCVNUYNNRHKF-MUDSWDHVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147506
CCN1CCN(CC1)C(=O)[C@@H](C(C)C)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_92985957	480.602	IJXFBOFASMUQLX-HSZRJFAPSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147507
CCN1CCN(CC1)C(=O)[C@H](C(C)C)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_92985958	480.602	IJXFBOFASMUQLX-QHCPKHFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147508
CN(CC(=O)NCCN1CCCCC1)C(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	MCULE-2857743716,PC-id_46049737,EMOLS-id_25387660	480.602	VGWYSDGLPGKLCT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147509
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCCN1CCCCC1)Cc1ccc(cc1)C	EMOLS-id_25387338,PC-id_46049714,MCULE-1653569945	480.602	KLMDFNNPTAVQID-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147510
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCCN1CCCCC1)Cc1cc(ccc1)C	PC-id_46049758	480.602	JCFSVCJIKHYSIS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147511
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCN1CCCCC1)C)Cc1ccc(cc1)C	EMOLS-id_25387624,PC-id_46049677,MCULE-7608678151	480.602	SJWVUCWZWZNKSZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147512
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN1CCCCC1)C)Cc1ccc(cc1)C	PC-id_46049666	480.602	VQHKDZKAGBGCBC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147513
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN1CCCCC1)C)Cc1cc(ccc1)C	PC-id_46049725	480.602	SKBVAKYFHRLWRN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147514
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCCN1CCCCC1)C)Cc1c(cccc1)C	PC-id_46049764	480.602	TZSRCPUKRSGLGO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147515
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCCN1CCCCC1)C)Cc1c(cccc1)C	PC-id_46049769	480.602	XGSAVLXYOSOSFD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147516
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C)NCCN1CCCCC1	PC-id_92986872	480.602	VQHKDZKAGBGCBC-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147517
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C)NCCN1CCCCC1	PC-id_92986873	480.602	VQHKDZKAGBGCBC-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147518
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)NCCN1CCCCC1	PC-id_92986878	480.602	SKBVAKYFHRLWRN-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147519
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C)NCCN1CCCCC1	PC-id_92986879	480.602	SKBVAKYFHRLWRN-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147520
O=C(N1CCN(CC1)C)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)CC	PC-id_42854979	480.602	CIXNSHXHAZOPLO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147521
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1nc(sc1)NCc1ccccc1)C)C#N	PC-id_55424065	480.602	WDTAIYDHCJCULD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147522
s1c2CCCCCCc2c(c1NC(=O)CSC1=NC(=O)C(Cc2ccccc2)C(=O)N1)C#N	PC-id_4455581	480.602	JNQDYVFXOULHHC-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-147523
Cc1ccccc1c1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1	CoCoCo_1133196,EMOLS-id_20401040,ChEMBL-DNDi_CHEMBL11763487,ZINC22_23129610,MCULE-3950228410,PC-id_30853242,CoCoCo_1133195	480.604	SWMLQYHGGIIWCU-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-147524
CN(c1ccccc1)c1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1	CoCoCo_1336494,MCULE-5422475697,EMOLS-id_20545171,CoCoCo_1336493,ZINC22_20992417,PC-id_29253516	480.604	NBZLZXKHZPHPCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147525
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2cc(NC(=O)C)ccc2)c(nn1)C)C#N	PC-id_46575354	480.606	HUDOMUMYPIEDKM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147526
Cc1ccc(c(c1)C)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709971	480.621	DYBZSZCCHBRUMY-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-147527
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139710012	480.621	ZFSZEJPTDFUIKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147528
O=C(NC(C(=O)NC1Cc2cnsc2CCCCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21110392,PC-id_138731232	480.621	GTTCEMPOYBJQAK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147529
O=C(NC(C(=O)NC1CCc2cnsc2CCCCNC(=O)C1=O)C(C)C)OCC(C)(C)C	SCHEMBL21111105,PC-id_138731867	480.621	OJJNEIHGJBXPNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147530
s1c2c(CCCCC2)c(c1NC(=O)C[NH+](C(c1ccc(S(=O)(=O)N)cc1)C)C)C(=O)OC	PC-id_74664630	480.621	BQPWGTFXUVRXCX-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-147531
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]([C@H](c1ccc(S(=O)(=O)N)cc1)C)C)C(=O)OC	PC-id_39783948	480.621	BQPWGTFXUVRXCX-AWEZNQCLSA-O	00000000100000110100000000000010000000000000000000000000	31-01-147532
s1c2c(CCCCC2)c(c1NC(=O)C[NH+]([C@@H](c1ccc(S(=O)(=O)N)cc1)C)C)C(=O)OC	PC-id_39783950	480.621	BQPWGTFXUVRXCX-CQSZACIVSA-O	00000000100000110100000000000010000000000000000000000000	31-01-147533
CC(C)OC(=O)C1=CN(CC(c2c1[nH]nc2)(C)C)C(=O)N1CCC[N+](CC1)(C)Cc1ccccc1	PC-id_134472049,SCHEMBL20110120	480.622	JHAFLUXWOWDYCJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-147534
COCc1ccc(o1)C(=O)N[C@@H](c1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)CC)CC(C)C	GD-id_ZINC12039557,PC-id_42370695	480.622	YKZCYRWBSQPPKO-HSZRJFAPSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147535
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(ccc(c1)C)C)CC(C)C)c1oc(cc1)COC	PC-id_74793306	480.622	VIYNYIAOUSJCRR-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147536
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC)CC(C)C)c1oc(cc1)COC	PC-id_74800111	480.622	YKZCYRWBSQPPKO-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147537
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)CC)CC(C)C)c1oc(cc1)COC	PC-id_42370699	480.622	YKZCYRWBSQPPKO-QHCPKHFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147538
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(ccc(c1)C)C)CC(C)C)c1oc(cc1)COC	PC-id_42378096	480.622	VIYNYIAOUSJCRR-QHCPKHFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147539
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(ccc(c1)C)C)CC(C)C)c1oc(cc1)COC	PC-id_42378099	480.622	VIYNYIAOUSJCRR-HSZRJFAPSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147540
s1c2CCCCCc2cc1C(=O)N(CCC(C)C)c1c(n(Cc2ccccc2)c(=O)[nH]c1=O)N	PC-id_24399416	480.622	QJCMFPPKDIZEID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147541
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)Cc1cc(OC)ccc1)C#N	PC-id_56137249	480.622	KMUIXCVQNWDJLZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147542
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCN(CC1)C(=O)Cc1cc(OC)ccc1)C)C#N	PC-id_56137436	480.622	DAOIQUUWANGPOZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147543
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(NC(=O)C(C)C)Cc1c2c([nH]c1)cccc2	PC-id_55649384	480.622	JIJUNNSKTKBOPA-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-147544
C12=NC(=O)CCCN1N=C(SCC(=O)Nc1sc3c(CCCCC3)c1C(=O)OCC)S2	PC-id_5045364,MCULE-8593382445,CoCoCo_2667285,CHEMBL1444609,EMOLS-id_16383970	480.624	JFZLQMLTWKKXFQ-UHFFFAOYSA-N	00000011100000000111000000000110000000000000000000000000	31-01-147545
C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4184925,ZINC22_9513905,PC-id_41103823	480.624	NOMVTRWMMSUZRT-QWHCGFSZSA-N	00000010100000000101000000000010000000000000000000000000	31-01-147546
C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4184926,ZINC22_9513904,PC-id_41103822	480.624	NOMVTRWMMSUZRT-OLZOCXBDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-147547
C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41103821,ZINC22_9513903,CoCoCo_4184924	480.624	NOMVTRWMMSUZRT-STQMWFEESA-N	00000010100000000101000000000010000000000000000000000000	31-01-147548
C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41103824,CoCoCo_4184923,ZINC22_9513906	480.624	NOMVTRWMMSUZRT-CHWSQXEVSA-N	00000010100000000101000000000010000000000000000000000000	31-01-147549
N#Cc1c(NC(=O)C(Sc2nnc(o2)CC2CCS(=O)(=O)C2)C)sc2c1CCCCC2	MCULE-2934294716,EMOLS-id_11857048,PC-id_16386357	480.624	NOMVTRWMMSUZRT-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-147550
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)CCc1ccccc1	PC-id_74800287	480.624	GXTLJHFHZIEEMN-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-147551
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)CCc1ccccc1	GD-id_ZINC12041105,PC-id_42372063	480.624	GXTLJHFHZIEEMN-HSZRJFAPSA-O	00000000100000110101100000000010000000000000000000000000	31-01-147552
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)CCc1ccccc1	PC-id_42372065	480.624	GXTLJHFHZIEEMN-QHCPKHFHSA-O	00000000100000110101100000000010000000000000000000000000	31-01-147553
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)C2CC2)nn1)C(=O)OCC	PC-id_23909310	480.624	NHAKEORTZATGRA-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-147554
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)C(=O)CCc1sc2c(cccc2)n1	MCULE-3600348349,PC-id_26332921,EMOLS-id_20636821,ZINC22_14976913,CoCoCo_1473820	480.626	WRQFAGJYEDQBIK-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-147555
CN(CCOc1ccc(cc1)C(=Cc1ccc2-c1ccccc2)c1ccc(cc1)OCCN(C)C)C	PC-id_101951157	480.64	YAAXOGHFKXBZKI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-147556
Cc1c(c2ccccc2)sc(NC(=O)c2cc3c(s2)CCCCC3)c1C(=O)N1CCOCC1	EMOLS-id_3313625,ZINC22_3435639,PC-id_2555428,CoCoCo_3253594,MCULE-2644354685	480.642	WOAYZQIWWBAILS-UHFFFAOYSA-N	00000000100110110101100000000010000000000000000000000000	31-01-147557
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1ccc(N)cc1)c1ccccc1)C(=O)OCC	PC-id_23097978	480.642	NTGPGNJODJVLPG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147558
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(N)ccc1)c1ccccc1)C(=O)OCC	PC-id_18894629	480.642	UZSLXLNGVDANEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147559
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(OCc2ccccc2)cc1)C(=O)OCC	PC-id_19648788	480.642	DSYHDERALANGNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147560
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1ccc(N)cc1)c1ccccc1)C(=O)OC	PC-id_23097980	480.642	XZJFHYJPNZKVKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147561
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(N)ccc1)c1ccccc1)C(=O)OC	PC-id_18894630	480.642	WIDRMAIMPPBYMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147562
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(Oc2ccccc2)cc1)C(=O)OCC	PC-id_20414372	480.642	GYHFQKJHEZJYCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147563
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(OCc2ccccc2)cc1)C(=O)OC	PC-id_19648781	480.642	DOPNOHNTESFRPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147564
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(Oc2ccccc2)cccc1)C(=O)OCC	PC-id_20415595	480.642	COQSGLXSPOCEHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147565
C/C=CC=C(CN1CCCN(CC1)c1cc(c(cc1)C)N=C(C)c1c2-c(ccccc2)[nH]c1=O)/C=C	PC-id_136478291	480.644	OSDDUQDPDZYVPH-ZGQYMFKQSA-N	00000010100000110111100000000010000000000000000000000000	31-01-147566
C/C=CC=C(CN1CCCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C)/C=C	SCHEMBL13076951	480.644	OSDDUQDPDZYVPH-JNWLOXATSA-N	00000010100000110111100000000010000000000000000000000000	31-01-147567
c1(NC(=O)CCCC(=O)Nc2sc3c(CCCCC3)c2C#N)sc2c(CCCCC2)c1C#N	EMOLS-id_4160529,CoCoCo_6255917,MCULE-9389151648,TIMTEC115773,PC-id_4447520,ZINC22_8432169,SPECS-id_AK-968/12387011	480.645	DAVNKLHBFPCENY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-147568
c1(C(CC(C)C)NC(=O)CCOC)nnc2CCN(C(=O)CSc3scc(C)n3)CCn12	EMOLS-id_232755762,MCULE-4652026594,PC-id_45220556	480.647	QUZPAEXJEGNAED-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147569
COCCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)CSc1nc(C)cs1)CC2	ZINC22_14960061	480.647	QUZPAEXJEGNAED-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147570
COCCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C(=O)CSc1nc(C)cs1)CC2	ZINC22_14960065	480.647	QUZPAEXJEGNAED-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147571
CSc1nccc(n1)c1ccc(s1)S(=O)(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_143029632	480.647	JNLOGDLKZUAOLY-UHFFFAOYSA-N	00000000100100100101100000000010000000000000000000000000	31-01-147572
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)CC)C#N	PC-id_20127817	480.649	LZTYLNOXGAWCRB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147573
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)CC)C#N	PC-id_17303915	480.649	NWTYXLMWIPIXFC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147574
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)C)C#N	PC-id_20127709	480.649	KGBZEOUCDMCMQB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147575
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)C)C#N	PC-id_20128036	480.649	UJWCGWAGJIDBKU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147576
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC=C)C#N	PC-id_20127377	480.649	BFMBXNRKRNQOTI-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-147577
[Si](OC(=O)c1c2-c(c(c1)C=O)cccc(c2)C(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_10672386	480.669	BIWRUEWOVVCFJW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-147578
CC([Si](c1ccccc1)(c1ccccc1)O[C@@H]1CNC=Nc2c1ncn2Cc1ccccc1)(C)C	SCHEMBL14105624,PC-id_10028146	480.676	XLIFAWMHEDPJOO-AREMUKBSSA-N	00000000100000110111000000000010000000000000000000000000	31-01-147579
[Si](OC1c2ncn(c2NC=NC1)Cc1ccccc1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11961668	480.676	XLIFAWMHEDPJOO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-147580
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(CN4CCCCC4)s3)CCn12	PC-id_45931645,MCULE-4460666659,ChEMBL-DNDi_CHEMBL57344182,EMOLS-id_232757763	480.69	KMUSPGCMNBAMSP-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-147581
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(CN3CCCCC3)s1)CC2	ZINC22_19770581	480.69	KMUSPGCMNBAMSP-OAQYLSRUSA-N	00000000100110000101000000000010000000000000000000000000	31-01-147582
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(CN3CCCCC3)s1)CC2	ZINC22_19770582	480.69	KMUSPGCMNBAMSP-NRFANRHFSA-N	00000000100110000101000000000010000000000000000000000000	31-01-147583
CCCCCCOC(=O)c1cc(c2-c1ccc(cc2)C#C[Si](C)(C)C)C(=O)OCCCCCC	PC-id_101233035	480.711	DWROJBOTLZLCNJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147584
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCCCCCCCCC)C(=O)OCC	PC-id_19651426	480.77	RGKNIVWHCMCVSG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-147585
s1c2c(CCCCCC2)c(c1NC(=S)N(CCCCCC)CCCCCC)C(=O)OCC	PC-id_19653436	480.77	IQLSCGKNAMBGDR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-147586
O=C1CN(C)c2c(C(=O)N1)n(c(n2)Oc1cccc(c1)OC(F)(F)F)Cc1ccc(cc1)Cl	PC-id_139467007,SCHEMBL21332654	480.824	OBLLIVXRQVLVLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147587
O=C1CCC(=O)On2nc(CO1)c(CCn1ncc(c1)c1ccc(c(c1)OC(F)F)Cl)c2C	PC-id_140810663	480.849	VMFITVJXXGVVBC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147588
Clc1ccc(cn1)CC1(C)COc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	PC-id_139471177,SCHEMBL21337172	480.915	SQQCHURUHITNPM-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147589
Clc1nccc(c1)CC1(C)COc2c(S(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	PC-id_139471200,SCHEMBL21337196	480.915	ZMEAYFQCIRQXJK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147590
Clc1ccc(c(c1)C(F)(F)F)NC(=O)C(c1ccccc1)Sc1nnc2n1CCCCC2	EMOLS-id_11707869,MCULE-6494359333,PC-id_16291050	480.934	SWWXEEYGJRWMGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147591
Clc1c(cc(NC(=O)C(Sc2n3CCCCCc3nn2)c2ccccc2)cc1)C(F)(F)F	MCULE-8886080401,EMOLS-id_43775472,PC-id_16232962	480.934	MVYBSEFAUNJHJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147592
O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1	CoCoCo_3081397,ZINC22_9672032,PC-id_41170371	480.934	SWWXEEYGJRWMGH-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-147593
O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1	ZINC22_9672033,CoCoCo_3081398,PC-id_41170372	480.934	SWWXEEYGJRWMGH-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147594
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1	CoCoCo_3081399,PC-id_40942682,ZINC22_9126411	480.934	MVYBSEFAUNJHJT-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147595
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1	PC-id_40942681,CoCoCo_3081400,ZINC22_9126410	480.934	MVYBSEFAUNJHJT-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-147596
Clc1cc(c2oc(C[NH+]3CCn4c(nnc4CNC(=O)c4cc(F)ccc4)CC3)cc2)ccc1	PC-id_42348915	480.942	BYJMXWSUABMBHP-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-147597
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(cc1)OCCCC)c2)Cc1ccc(cc1)Cl	CoCoCo_2544657,PC-id_20964821,EMOLS-id_16324854,MCULE-3302401774	480.986	VYFRNRIZLVQYRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147598
C1COCCC1CN1CCNc2c(C1=O)n(c(n2)COc1ccc(cc1)Cl)Cc1ccccc1	PC-id_134805596	480.986	JPGNZQRFPMBXTD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147599
CC(C)c1ccc2-c(c(cc2S(=O)(=O)[O-])CCCS(=O)(=O)Nc2ccc(cc2)Cl)cc1	GD-id_ZINC29410475,BindingDB_PC-id_91934737,PC-id_91934737	481.005	ONVHCBQCZYEVCQ-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-147600
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COC)CC(C)C)CC2)ccc(OC)c1OC	PC-id_42371576	481.008	XHCBTIVNNJOQPS-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147601
Clc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COC)CC(C)C)CC2)ccc(OC)c1OC	PC-id_42371580	481.008	XHCBTIVNNJOQPS-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147602
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)COC)CC(C)C)CC2)ccc(OC)c1OC	PC-id_74800215	481.008	XHCBTIVNNJOQPS-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147603
Clc1cc(NC(C(=O)Nc2sc3CCCCCc3c2C#N)C)ccc1OCc1ncccc1	PC-id_56172871	481.01	QHACKQQTZMIEND-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-147604
Clc1ccc(SCCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OC)cc1	PC-id_41272475	481.028	JYVLYYTXAHUYQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147605
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)C(=O)NC)cc1	PC-id_72246270	481.031	WQZGBFXBIFBCOZ-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-147606
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)C(=O)NC)cc1	SCHEMBL3339773,PC-id_59285166	481.031	WQZGBFXBIFBCOZ-KGLIPLIRSA-N	00000010100100000100000000000010000000000000000000000000	31-01-147607
CC/C=C(/N(Cc1cn(c2c1C(=NC(=CN2)N)Cl)Cc1ncc(c(c1C)OC)C)C)C=C/C=C	PC-id_143021338	481.033	QNRVCFDLXHSZIO-ZDCNUQNWSA-N	00000000100000101111000000000010000000000000000000000000	31-01-147608
Ic1c2OCCCOc2c(n1Cc1ccccc1)I	PC-id_59012261,SCHEMBL12513970	481.067	WAWICFDQMDKJFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147609
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CN(C)C)cc1	SCHEMBL3309130,PC-id_68590684	481.074	ZGXGNRVTCLZWAE-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-147610
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CN(C)C)cc1	SCHEMBL3309132,PC-id_59285174	481.074	ZGXGNRVTCLZWAE-CVEARBPZSA-N	00000010100100000100000000000010000000000000000000000000	31-01-147611
CC(C)C(C(=O)CC1CC2=CN=C(S2)CCNC(=O)C1=O)NS(=O)(=O)C3=CC=C(C=C3)F	PC-id_161849153	481.114	XYUPMJVHCSSGKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147612
CC(C)C(C(=O)CC1CC2=NC=C(S2)CCNC(=O)C1=O)NS(=O)(=O)C3=CC=C(C=C3)F	PC-id_147222497	481.114	CHIVOZNMKBOCNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147613
CCOC(=O)CCCC(=O)C1=NN2CCCN(CC2=C1)C(=O)OCC3=CC(=CC(=C3)Cl)Cl	PC-id_148653959	481.117	NMLKZZZSBQGMBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147614
CN1C=C2C(=C1C(NC3=CC(=C(C=C3)F)C#N)O)C=C[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)OC	PC-id_154991283	481.158	VJLZRCOEGZGZOA-OETBXTHDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-147615
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)CC[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)OC	PC-id_154991279	481.158	FDKHQFFTUYJXES-NISQWKGESA-N	00000000100000110101000000000010000000000000000000000000	31-01-147616
CC1=CC(=NO1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_160544431	481.221	QXFRSCDKXCTDJX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147617
CN1N=CC(=N1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_160637251	481.232	RIRUARJVAQZPAO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147618
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)Cl)Cl	PC-id_19102900,SCHEMBL9335492	481.37	KJMMHRLXAUJTCA-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-147619
Clc1c(OCCCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc(Cl)c1	PC-id_5239615	481.392	NJXRGOJHKWNWPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147620
Fc1cccc(F)c1C(=O)NCc1nnc2CCN(Cc3ccc(OC(F)(F)F)cc3)CCn12	PC-id_42192987,CoCoCo_1235589,CoCoCo_1235588,EMOLS-id_20475003,ZINC22_11816148,MCULE-5214473643	481.419	RKLKJMWFQUWHNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147621
OB([C@H](Cc1ccccc1)NC[C@@H]1CCCCCCCCCCCC(=O)c2[nH]c(C(=O)N1)cc2)O	PC-id_144626254	481.435	BWORFBLSWBEFQP-NVQXNPDNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147622
Brc1cc(c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1)CC	PC-id_19687764	481.469	ICTXTAGTZKCCBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147623
Brc1cc(c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1)CC	PC-id_19687758	481.469	IJDCSXHAGIFYTF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147624
Brc1cc(c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1)C	PC-id_20413458	481.469	MDAPYZHOPPPGJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147625
Brc1c(cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1)C	PC-id_20413534	481.469	IKIRQMYULVNTEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147626
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc(c1)C	PC-id_20411128	481.469	JPNVRBCTBZTFBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147627
Cc1onc(c1)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccnc(c1)C(F)F)C	SCHEMBL18353548	481.473	YIRZOOXWJOEXTA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-147628
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1cccs1)Nc1sc2c(CCCCCC2)c1C#N	CoCoCo_6890716,PC-id_3708640,EMOLS-id_8219590,MCULE-2367482779,SPECS-id_AG-389/41044257,ZINC22_8445405	481.478	MUTXSPUDAQQNDU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-147629
CNCCc1c(CC)n(c2=CC(C=C(C=c12)Cl)Cl)CC(=O)Nc1scc(n1)C(C)(C)C	PC-id_142130649	481.481	NVPRFMXLGGUOQD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-147630
F[C@@H]1C[C@H](N(C1)C(=O)Cc1cc(c2-c1ccc(cc2)O)C(=O)N)C(=O)NCc1cccc(c1F)C	SCHEMBL18826371	481.491	CZMNCQYFSFPSLK-VGSWGCGISA-N	00000010100000110110000000000010000000000000000000000000	31-01-147631
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCc2ccc(F)cc2)cc1	PC-id_42854950	481.495	ZJBWSAQPZOATLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147632
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCc2ccc(F)cc2)C)cc1	PC-id_46049505	481.495	BKSDKHHOVHPFOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147633
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NCc2ccc(F)cc2)C)cc1	PC-id_46159883	481.495	CFLWQTOBDUQUCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147634
O=C1CCNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)CCn2cc(CO1)nn2)Cc1c[nH]c2c1cccc2	PC-id_101442830	481.504	KITFQGCJKWQYTF-IFXJQAMLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-147635
F/C=C/C(=CC(=CC(=O)c1c[nH]c2c1C=CCN(C2=O)CC(=C)C/C=C
/C=CC=CCN1C)F)/F	PC-id_143911506	481.509	BJUHWWWVPQIWMJ-MTUBCPDLSA-N	00000000100000000110000000000010000000000000000000000000	31-01-147636
Cc1c([nH]c2c1C(=O)N(CCC2)CCN1CCOCC1)C=C1c2cc(cc(c2NC1=O)NC=O)F	PC-id_86640166,SCHEMBL3134435	481.519	UUMCNWYZDDNVBO-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-147637
CCNCCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)c(c2)NC(=O)C(=O)C	PC-id_70917172,SCHEMBL13480142	481.519	OHULQRIKYIUNGV-WJDWOHSUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-147638
Fc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2c(NC=O)c1	PC-id_25114695,SCHEMBL3134431	481.519	UUMCNWYZDDNVBO-AQTBWJFISA-N	00000010100010100101000000001010000000000000000000000000	31-01-147639
Fc1cc2C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CCNCC)C(=O)Nc2cc1NC(=O)C(=O)C	PC-id_77953838	481.519	OHULQRIKYIUNGV-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-147640
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1cccc(c1)C#N)Cc1ccccc1F	PC-id_134805597	481.521	BIOQTSUUSRHXJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147641
O=c1[nH]c2c([nH]1)cc(cc2)S(=O)(=O)Nc1ccccc1C(=O)NCc1nnc2n1CCCCC2	GD-id_ZINC25667586,PC-id_24676690	481.528	PQZRTXHARWGOFD-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-147642
Cn1nc2c(c1)c(ccc2)C(=O)NCCCCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041805,PC-id_138671422	481.534	SBIHRZPQMYKRHX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-147643
O=C(Cn1nc2n(c1=O)CCCCC2)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	MCULE-4077310608,EMOLS-id_18824654,CoCoCo_4693929,PC-id_25476308,ZINC22_12743369	481.538	UDCCEMKNMQBEQO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147644
CCOC(=O)c1ccc2-c1ccc(cc2)Nc1ccc(cc1F)N1C[C@@H](OC1=O)CNC(=S)C	PC-id_143555388	481.539	IBNOFJOZPMBRIR-IBGZPJMESA-N	00000010100000110111100000000010000000000000000000000000	31-01-147645
Cc1nn(cn1)C(=C)C(=CC(=C(C)F)Nc1nn2CCCCC(c2n1)C=C1CC=C(C=C1)F)OC	PC-id_90997745	481.541	UGORQRFWKRKBDR-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-147646
C1N(CCC(C(=O)OCC)C1)C(=O)CNC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	PC-id_46049594,EMOLS-id_25387594,MCULE-1266554939	481.544	OGUHBWNXMPNONA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147647
COc1cc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc(OC)c1O	MCULE-4369254020,PC-id_118757183,EMOLS-id_68904282,ZINC22_299779115	481.544	JUCJFYKHMFPZJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147648
COc1cc(OC)c(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)c(OC)c1	CoCoCo_1360956,MCULE-1999740872,CoCoCo_1360957,EMOLS-id_20561737,ZINC22_20999787,PC-id_29259209	481.544	LSBOXIUMWDFSCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147649
COCc1ccc(C(=O)NCc2nnc3n2CCN(C[C@H](C)Cc2ccc4c(c2)OCO4)CC3)o1	CoCoCo_1373378,ZINC22_14989179,PC-id_26343774,CoCoCo_1373380	481.544	ORPBCJAHSUOKQY-QGZVFWFLSA-N	00000010101000100101000000001010000000000000000000000000	31-01-147650
COCc1ccc(C(=O)NCc2nnc3n2CCN(C[C@@H](C)Cc2ccc4c(c2)OCO4)CC3)o1	CoCoCo_1373379,ZINC22_14989177,CoCoCo_1373377,PC-id_26343772	481.544	ORPBCJAHSUOKQY-KRWDZBQOSA-N	00000010101000100101000000001010000000000000000000000000	31-01-147651
COCc1ccc(o1)C(=O)NCc1nnc2CCN(CC(C)Cc3ccc4OCOc4c3)CCn12	EMOLS-id_20570119,MCULE-6565060990,PC-id_45209538	481.544	ORPBCJAHSUOKQY-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-147652
O(C(=O)C1CCCN(C1)C(=O)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)CC	PC-id_46159900	481.544	WCCTYXUEMHYWFT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147653
CC(C(C(=O)NC1Cc2ccc(s2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21110140,PC-id_138730982	481.561	OAKQPNBNRADSOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147654
C/C=C/1C(=C/C(=C)C)Nc2c(CN1C(=O)c1cc(c(cc1)CNC(=O)OC(C)(C)C)F)cnn2C	PC-id_137200361,SCHEMBL18944369	481.562	SUMANFOWIOVWQQ-VQRDUNRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147655
C1CCCc2c(CC1)cc(s2)C(=O)N=NC(=O)c1cc2c(n(c(c2cc1)O)CC1CCCO1)O	PC-id_136128332	481.564	WOCUCHZVPWCABB-UHFFFAOYSA-N	00000010100000100100000001000010000000000000000000000000	31-01-147656
CCOc1ccc(cc1)N1CC(CC1=O)C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_24378982,MCULE-5996740919,EMOLS-id_43783078	481.564	XZRNJICMUSALQY-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-147657
CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2=O)cc1	PC-id_29243978,ZINC22_20973163,CoCoCo_3111503	481.564	XZRNJICMUSALQY-INIZCTEOSA-N	00000010100000110100100000000010000000000000000000000000	31-01-147658
CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2=O)cc1	ZINC22_20973169,CoCoCo_3111502,PC-id_29243981	481.564	XZRNJICMUSALQY-MRXNPFEDSA-N	00000010100000110100100000000010000000000000000000000000	31-01-147659
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(c2[nH]c(c(n2)C)C)cc1)C(=O)OC	PC-id_24082484	481.564	VFZVYZNWUHIVIP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147660
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(cc1)c1[nH]ccn1)CC)C(=O)OC	PC-id_24027913	481.564	WGBPKHWPUVWOFA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147661
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(cc1)c1[nH]ccn1)C)C(=O)OCC	PC-id_23999893	481.564	GJQKNBUAHIKYSV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147662
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C(=Cc1ccc(N(C)C)cc1)C#N)C(=O)OC	PC-id_5180428	481.564	MJARDLUJPPOMCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147663
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1cc2C(=O)N(CC3OCCC3)C(=O)c2cc1	PC-id_46656847	481.564	PJBSSGKOIMUNRV-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-147664
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(cc1)c1[nH]ccn1)C)C(=O)OC	PC-id_24027641	481.564	DXVKAVCOKKLHME-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147665
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1ccc(cc1)c1[nH]ccn1)C(=O)OCC	PC-id_23831535	481.564	CGXCTRXHLARPET-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147666
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1sccc1)C(=O)OC	PC-id_4195229	481.566	RGOZOVSEBIIYRL-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-147667
COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CSc1nnc2n1CCCCC2	ZINC22_9514729,CoCoCo_4054381,MCULE-5519107735,PC-id_16364908,EMOLS-id_3645270	481.567	YXHCQDUNNLXSKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147668
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3ccc(c(F)c3)F)CCn12	PC-id_45204028,MCULE-9751483531,EMOLS-id_20546255	481.581	YMMRDLVJYFYCNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147669
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(F)c(F)c2)CC3)c1	CoCoCo_1338003,CoCoCo_1338004,PC-id_42451739,ZINC22_12190728	481.581	YMMRDLVJYFYCNJ-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-147670
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(F)c(F)c2)CC3)c1	CoCoCo_1338005,CoCoCo_1338006,PC-id_42451741,ZINC22_12190729	481.581	YMMRDLVJYFYCNJ-DEOSSOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147671
COC(CCc1cccc(c1)CCC(=O)O)CNCC(COC1=c2cc([nH]c2=CCCC1)C#N)O	PC-id_142147113	481.584	PANZLDSCEOTXRF-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-147672
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)NCCOC)c(OC)cc1	PC-id_24554140	481.586	JDVUBPMMJDVQBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147673
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3ccc(cc3)OC)CCn12	PC-id_45203544,EMOLS-id_20544079,MCULE-1648948258	481.587	SDWJKRFMLLRKJX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147674
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3cccc(OC)c3)CCn12	EMOLS-id_20592641,MCULE-4493686046,PC-id_45214824	481.587	SZNDLMMFSUWEFY-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147675
c1(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C#N	MCULE-5077589654,EMOLS-id_5582522,ZINC22_9714998,CoCoCo_5153101,PC-id_16799827	481.587	COUPRXLGFGLCFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147676
c1(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C#N	PC-id_16799820,MCULE-1450390198,EMOLS-id_5582396,CoCoCo_5153026,ZINC22_9714870	481.587	BITJGEHAQBZXFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147677
CC(C)CN(CCC(=O)N1CCOCC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049615,EMOLS-id_25387098,MCULE-2185467916	481.587	DNNLLBSJTHSAGG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147678
CC[C@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)N1CCOCC1)C	PC-id_93332456	481.587	NFZTYZSUHBSQFN-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147679
CC[C@@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)N1CCOCC1)C	PC-id_93332457	481.587	NFZTYZSUHBSQFN-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147680
CCN(CCC(=O)NCC1CCCO1)C(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	MCULE-2639975374,EMOLS-id_25387356,PC-id_46049749	481.587	ZROHWJVNNDGGFH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-147681
CCN(CCC(=O)NCC1CCCO1)C(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	PC-id_46049699,EMOLS-id_25387332,MCULE-8968885406	481.587	CVTOOIMYLYGPTE-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-147682
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)CCC(=O)NC[C@@H]1CCCO1	PC-id_93332258	481.587	CVTOOIMYLYGPTE-NRFANRHFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-147683
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)CCC(=O)NC[C@H]1CCCO1	PC-id_93332259	481.587	CVTOOIMYLYGPTE-OAQYLSRUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-147684
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)CCC(=O)NC[C@@H]1CCCO1	PC-id_93332264	481.587	ZROHWJVNNDGGFH-NRFANRHFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-147685
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)CCC(=O)NC[C@H]1CCCO1	PC-id_93332265	481.587	ZROHWJVNNDGGFH-OAQYLSRUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-147686
CCOc1cc(ccc1OC)CN1CCc2n(CC1)c(nn2)[C@H](NC(=O)c1ccco1)CC(C)C	CoCoCo_1141546,PC-id_30868486,CoCoCo_1141545	481.587	HGHUKSZRQMKUKP-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147687
CCOc1cc(ccc1OC)CN1CCc2n(CC1)c(nn2)[C@@H](NC(=O)c1ccco1)CC(C)C	CoCoCo_1141547,PC-id_30868491,CoCoCo_1141548	481.587	HGHUKSZRQMKUKP-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147688
CCOc1cc(ccc1OC)CN1CCc2n(CC1)c(nn2)C(NC(=O)c1ccco1)CC(C)C	PC-id_45172095,ChEMBL-DNDi_CHEMBL12627285	481.587	HGHUKSZRQMKUKP-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147689
CCOC(=O)N1CCCN(CCCc2n(CC1)c(C#N)cc2)C(=O)c1ccc(c(n1)C)OC(C)C	SCHEMBL18888381	481.587	JXEOTEGUVAJQSA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-147690
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cccc(OC)c2)CC3)o1	CoCoCo_1407213,CoCoCo_1407214,ZINC22_15001071,PC-id_26356875	481.587	SZNDLMMFSUWEFY-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147691
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cccc(OC)c2)CC3)o1	PC-id_26356871,ZINC22_15001068,CoCoCo_1407216,CoCoCo_1407215	481.587	SZNDLMMFSUWEFY-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147692
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(OC)cc2)CC3)o1	CoCoCo_1334908,CoCoCo_1334907,ZINC22_12190172,PC-id_42451125	481.587	SDWJKRFMLLRKJX-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147693
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(OC)cc2)CC3)o1	ZINC22_12190173,PC-id_42451127,CoCoCo_1334906,CoCoCo_1334905	481.587	SDWJKRFMLLRKJX-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-147694
O1C(CCC1)CNC(=O)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1c(cccc1)C)CC	PC-id_46049778	481.587	PYLOVAOPMQJWOB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-147695
O1CCN(C(=O)CCN(C(CC)C)C(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)CC1	PC-id_46049657	481.587	NFZTYZSUHBSQFN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147696
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1ccc(OCc2nc(sc2)C)cc1)C#N	PC-id_28145990	481.587	NRWQJRWGUGJDGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147697
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(c2c([N+](=O)[O-])cccc2)cc1)C(=O)OC	PC-id_20166879	481.587	SSHVSIIGKFIEIX-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-147698
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12	PC-id_45211398,EMOLS-id_20577963,MCULE-2147347729	481.589	SUOLYEGGMFNHSH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147699
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNCc1ccccc1)CCOc1ccccc1	PC-id_134808303	481.589	PTOWKCPETISSBB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147700
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C
/CCC(CC1)c1ccccc1)C(=O)OCC	PC-id_3976257	481.607	ZNPFVSPEOQSVLE-USHMODERSA-N	00000000100010110100100000000010000000000000000000000000	31-01-147718
Cc1ccccc1c1cccc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)c1	ZINC22_20776039,PC-id_29150291,EMOLS-id_232728534,MCULE-8147024576,CoCoCo_1285361,CoCoCo_1285362	481.589	NNVFMSBODHHBAR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147701
Cc1ccccc1c1ccc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)cc1	CoCoCo_1134375,CoCoCo_1134376,PC-id_30853420,ZINC22_23129753,EMOLS-id_20401918,MCULE-5032466437	481.589	CDTMEZMLMOTLLY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147702
Cc1c(cc(cc1)C(=O)N1CCN(CC1)/C(=C/C=C)/C=CN)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478301	481.589	MDNVISSFUMMFRN-IKOZKEEFSA-N	00000010100010110111000000000010000000000000000000000000	31-01-147703
Cc1ccccc1NCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CCOc1ccccc1	PC-id_134806587	481.589	UUPKJEPUMMWTNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147704
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	CoCoCo_1392862,ZINC22_14994603,PC-id_26350042,CoCoCo_1392863	481.589	TZESDQUYTRUWSW-QFIPXVFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147705
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(c3ccccc3)cc1)CC2	ZINC22_14994601,CoCoCo_1392860,PC-id_26350038,CoCoCo_1392861	481.589	TZESDQUYTRUWSW-JOCHJYFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147706
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccc(cc3)c3ccccc3)CCn12	MCULE-3731605097,EMOLS-id_20582961,PC-id_45212540,ChEMBL-DNDi_CHEMBL46313599	481.589	TZESDQUYTRUWSW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147707
COc1ccc(cc1)C(=O)NCCc1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1	ChEMBL-DNDi_CHEMBL45563787	481.589	LYEFMIMJYYEERB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147708
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(c4ccccc4)cc2)CC3)c1	ZINC22_14992502,CoCoCo_1385372,CoCoCo_1385371,PC-id_26347580	481.589	SUOLYEGGMFNHSH-NRFANRHFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147709
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(c4ccccc4)cc2)CC3)c1	ZINC22_14992504,CoCoCo_1385370,CoCoCo_1385369,PC-id_26347584	481.589	SUOLYEGGMFNHSH-OAQYLSRUSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147710
COc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1S(=O)(=O)N1CCOCC1	MCULE-1422491248,CoCoCo_3081734,EMOLS-id_11784679,PC-id_16341673,ZINC22_8966132	481.589	MTGATTOJAZVHCV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147711
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc2n1CCCCC2	CoCoCo_3081523,PC-id_16290886,EMOLS-id_11707613,MCULE-6823994088,ZINC22_9672017	481.589	DRHVTQWVRZCOKI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147712
n12CCN(CCc1nnc2CCNC(=O)COc1ccccc1)Cc1ccc(cc1)c1ccccc1	MCULE-1055740422,CoCoCo_1304052,PC-id_29153547,ZINC22_20784236,EMOLS-id_20522561,CoCoCo_1304053	481.589	SYYMDNNSOOTEJE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147713
N/C=CC(=C/C=C)N1CCN(CC1)C(=O)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076961	481.589	MDNVISSFUMMFRN-JGZWOVSFSA-N	00000010100010110111000000000010000000000000000000000000	31-01-147714
CNC(=O)[C@H]([N@H+]1CCCc2c([C@@H]1CCc1cc(F)c(c(c1)F)C)c(C)nn2CC)c1ccccc1	GD-id_ZINC40392765	481.601	BJEYXQMLWATVMU-RPLLCQBOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147715
CCCCN1CCC(=O)c2c(C1=O)ccn2CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F	SCHEMBL7089618,PC-id_22011272	481.602	ZHVAJMNVGIMPBR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147716
CCCCN1CCC(=O)c2c(C1=O)n(CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)cc2	SCHEMBL9038636,PC-id_19937376	481.602	PCTYGZPIKFBHRV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147717
Cc1ccc(c(c1)C)c1ccccc1C(=O)Nc1ccc(nc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709955	481.609	KYJCJGMHKCZCMB-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-147719
O=C(N1CCCN(c2c1ccs2)Cc1ccccc1)c1ccc(cc1)NC(=O)c1ccccc1C	PC-id_139709944	481.609	REPFYQLRLHTVRS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147720
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(F)cc1)CC=C)C#N	PC-id_19729721	481.609	IASHAJRSNMVJGJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147721
s1c2CCCCCc2c(c1NC(=O)CCN(CC)CC(=O)Nc1ccc(NC(=O)C)cc1)C#N	PC-id_24427826	481.61	HCTNVPACWNMTHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147722
s1c2CCCCCc2c(c1NC(=O)C(N(CC)CC(=O)Nc1ccc(NC(=O)C)cc1)C)C#N	PC-id_24506681	481.61	RNWQLLRMCHBZFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147723
s1c2CCCCCc2c(c1NC(=O)CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C)C#N	PC-id_55354425	481.61	XPWWDGYJSMHMME-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-147724
S(=O)(=O)(Nc1ccc(CCCC)cc1)c1cc(C(=O)NCc2n3CCCCCc3nn2)ccc1	PC-id_55519431	481.61	STQZJTHRAYKSJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147725
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)CCc1cccnc1	PC-id_42320387	481.612	SWMLQYHGGIIWCU-UHFFFAOYSA-O	00000000100000111101100000000010000000000000000000000000	31-01-147726
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)Cc1ccccc1	PC-id_42451460	481.612	NBZLZXKHZPHPCW-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147727
S(CC1=NC2N(Cc3ccccc3)C(=O)NC(=O)C2N1CCCC)c1n2CCCCCc2nn1	PC-id_74295604	481.614	MNWQMHPZVOQALY-UHFFFAOYSA-N	00000011100010110101000000000110000000000000000000000000	31-01-147728
OC[C@@H](N1C(CCCCCCCCCCCC(=O)c2[nH]c(C1=O)cc2)C(=O)N)Cc1ccccc1	PC-id_140694552	481.627	ZHSKVISFEVKUEV-XADRRFQNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147729
OC[C@@H](NC(=O)[C@@H]1CCCCCCCCCCCC(=O)c2[nH]c(C(=O)N1)cc2)Cc1ccccc1	PC-id_118453668,SCHEMBL17184033	481.627	MXKODFTUNLXUMU-UPVQGACJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147730
s1c2c(CCCCC2)c(c1NC(=O)c1scc(COc2cc3CCCc3cc2)c1)C(=O)OC	PC-id_19484859	481.627	PYMAIHXBEHXUFD-UHFFFAOYSA-N	00000010100100100100000000001010000000000000000000000000	31-01-147731
Cc1nc2c(s1)CCN(CC2)C(=O)CN(C(=NC(=N)c1ccc(c(c1)C)F)C1CCC=CC1)C	PC-id_145588830	481.629	UFCPOMJVARURMR-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-147732
CC(C)CCNC(=O)CCN(CC(C)C)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25387530,PC-id_46049612,MCULE-9236664622	481.63	DCBFJXINTURZEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147733
O=C1N(CCCn2nc(C(=O)N(C(CC)C)CCC(=O)NCCC(C)C)cc12)Cc1ccccc1	PC-id_46049654	481.63	FAOZCLMOINSJCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147734
s1c2c(CCCCC2)c(c1NC(=O)CSc1nc(c2ccccc2)cc(n1)C)C(=O)OCC	PC-id_4405441	481.63	MHWVLGMKSKYPMQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147735
CCOc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1S(=O)(=O)N(CC)CC	MCULE-1379264781,PC-id_16373809,EMOLS-id_11827069,CoCoCo_4054346,ZINC22_9911498	481.632	PFMBKGTZTPJHME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147736
CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccccc1OC	CoCoCo_4177890,ZINC22_9788860,PC-id_41213799	481.633	FIFSOKZITGGIDT-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147737
CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccccc1OC	PC-id_41213798,CoCoCo_4177889,ZINC22_9788859	481.633	FIFSOKZITGGIDT-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147738
COc1ccc(c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)n2C(C)C)cc1	MCULE-8402363787,ZINC22_3350605,CoCoCo_2814208,EMOLS-id_3112523,PC-id_2467604	481.633	SOYQHJCIVSNTCN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147739
N#Cc1c(NC(=O)C(Sc2nnc(n2CC)c2ccccc2OC)C)sc2c1CCCCC2	PC-id_16332893,MCULE-6960442972,EMOLS-id_11771287	481.633	FIFSOKZITGGIDT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147740
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C)C#N	PC-id_17304465	481.633	YZPCBIASVJQNQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147741
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(cc1)C)C#N	PC-id_21165402	481.633	RRPWRAHFTASNPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147742
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC)C#N	PC-id_17302106	481.633	PRLQDHODCHMCRE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147743
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC)C#N	PC-id_19731929	481.633	ANYKEJPKLZGLMQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147744
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC)C#N	PC-id_20123840	481.633	SBHCMIAOBSFBOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147745
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)C)C#N	PC-id_17264110	481.633	MLVSURJRIAHYBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147746
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)C)C#N	PC-id_17304570	481.633	RGXDDFAWDYYPSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147747
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC)C#N	PC-id_19634894	481.633	QDGZGTPUSGOWDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147748
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)C)C#N	PC-id_19635774	481.633	IEOLPEYCYLJKAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147749
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)C)C#N	PC-id_19636124	481.633	DVMPFYFFRJXTHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147750
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)C)C#N	PC-id_19636482	481.633	KLJZQXHWFOGPKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147751
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)C)C#N	PC-id_19643339	481.633	RRPLDAADXIMCCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147752
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC)C#N	PC-id_21164981	481.633	ZVWPGMKKVRFEMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147753
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)C)C#N	PC-id_21165894	481.633	ODADSSPCEYQEPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147754
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)C)C#N	PC-id_21166196	481.633	VOEIWDIVCSOUAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147755
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)C)C#N	PC-id_19632091	481.633	UNXGQLCYVRDWIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147756
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccccc1)C#N	PC-id_19733242	481.633	LYZAMGQULYIUQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147757
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC)C#N	PC-id_19730789	481.633	KBTWJZQEONYXIL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147758
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)C)C#N	PC-id_19732165	481.633	CRXZKGMOJIJYJU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147759
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)CC)C#N	PC-id_19730595	481.633	LIDOUWMIXHNLTE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147760
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)CC)C#N	PC-id_19730393	481.633	YNNOAEXEOIXGEN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147761
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)C)C#N	PC-id_19731813	481.633	SVBFTMPOQHUDOO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147762
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)C)C#N	PC-id_20123750	481.633	SWCROQMOVCCWCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147763
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)C)C#N	PC-id_17264733	481.633	MOKVEMCIKQGVJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147764
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)C)C#N	PC-id_17270871	481.633	RATIAMDGPLOIKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147765
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)C)C#N	PC-id_19634796	481.633	NJBBDXRTTMPOFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147766
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)C)C#N	PC-id_21165342	481.633	LECQHYKDGVLYEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147767
S(=O)(=O)(NCCCCCCCc1c2-c(c(c1)C(=O)OC)ccc(C(C)C)cc2)c1ccccc1	PC-id_10050894	481.647	LMHIEQCVCKYZNH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-147768
S(=O)(=O)(NCCCCCCCc1c2-c(c(c1)C(=O)OC)cc(C(C)C)ccc2)c1ccccc1	PC-id_10390479	481.647	OMBVTFRKXXWGRG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-147769
CNCCC1(C=O)CCCN(CC1)CCOc1ccc(cc1)Oc1sc2c(n1)CC=CC=CC2	PC-id_143381863	481.65	YYGLUNXHFSPFHP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-147770
N1(CCCCCCCCCCC(=O)Nc2sc3c(CCCCC3)n2)C(=O)c2c(cccc2)C1=O	EMOLS-id_334605171,MCULE-9159271876	481.65	BGOXJICVFDFWSB-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-147771
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C/C=C/c1ccccc1)C(=O)OCC	PC-id_22199827	481.65	NMEBNMGTAOQZLX-FMIVXFBMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147772
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)CC=Cc1ccccc1)C(=O)OCC	PC-id_73875753	481.65	NMEBNMGTAOQZLX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147773
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)C/C=C/c1ccccc1)C(=O)OC	PC-id_22199792	481.65	IFEPGHGMWBPDDE-FMIVXFBMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147774
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)CC=Cc1ccccc1)C(=O)OC	PC-id_73875721	481.65	IFEPGHGMWBPDDE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147775
c1(NC(=S)NCc2ccc(cc2)S(=O)(=O)N)sc2c(CCCCCC2)c1C(=O)OCC	EMOLS-id_2244413,TIMTEC205797,PC-id_2211332,ZINC22_2858033,MCULE-9372532583,CoCoCo_1001700	481.652	HXRULLUMWRWMLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147776
O=C(C1CCCN(C1)S(=O)(=O)c1cccs1)NNC(=O)c1sc2c(c1)CCCCCC2	MCULE-4184898298,EMOLS-id_43977583,PC-id_24503165	481.652	XJXHUGWBIKOMHT-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-147777
O=C([C@H]1CCCN(C1)S(=O)(=O)c1cccs1)NNC(=O)c1sc2c(c1)CCCCCC2	CoCoCo_4198056,PC-id_29907735	481.652	XJXHUGWBIKOMHT-INIZCTEOSA-N	00000000100110000100000000000010000000000000000000000000	31-01-147778
O=C([C@@H]1CCCN(C1)S(=O)(=O)c1cccs1)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_29907730,CoCoCo_4198055	481.652	XJXHUGWBIKOMHT-MRXNPFEDSA-N	00000000100110000100000000000010000000000000000000000000	31-01-147779
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NCC)cc1)C(=O)OCC	PC-id_20166172	481.652	YJJMEPPKCVSDEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147780
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NC)cc1)C(=O)OCC	PC-id_19680140	481.652	MUTQRROBQWWSIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147781
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NCC)cc1)C(=O)OC	PC-id_19680571	481.652	WIDPSUDYVJGIBS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147782
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1sc(cc1)C	PC-id_55527232	481.652	MEERODVIFYLPPB-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-147783
S(=O)(=O)(N1CC(CCC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1sc(cc1)C	PC-id_46524015	481.652	CSJYEOPDAHUUOI-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-147784
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1c(n(n(c1=O)c1ccccc1)C)C	PC-id_30377101	481.653	XRXVHUJFCCZSMB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147785
s1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)c(c2c1nc(nc2C)C(C)(C)C)C	PC-id_46515807	481.657	HYMMDRAIKVAIMU-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-147786
CCC1CCCCCCCCc2cc1c(/C=C/1N=C(C=C1OCc1ccccc1)c1[nH]ccc1)n2C	PC-id_135767904,SCHEMBL3884545	481.672	ZTKBTBUNINWJCT-OFWBYEQRSA-N	00000011110000110100100000000010000000000000000000000000	31-01-147787
CCCC1CCCCCCCCc2cc1c([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	SCHEMBL3885347,PC-id_135767906	481.672	CETAXGJURNVOJP-YQYKVWLJSA-N	00000011110000110100100000000010000000000000000000000000	31-01-147788
CCCCCC1CCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	PC-id_136508399	481.672	XZNDXRFCFNVZMP-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-147789
CCCCCC1CCCCCCc2cc1c([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	SCHEMBL3887040,PC-id_135767907	481.672	XZNDXRFCFNVZMP-YQYKVWLJSA-N	00000011110000110100100000000010000000000000000000000000	31-01-147790
CN(CC1=C(C=CCc2c1onc2CCC1CCN(CC1)Cc1ccccc1)Cc1ccccc1)C	PC-id_143570577	481.672	FVTLWMHZSKFLTQ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-147791
O(c1/c(=C/c2n(c3cc2C(CCCCCCCC3)CC)C)/[nH]/c(=C/2N=CC=C2)/c1)Cc1ccccc1	PC-id_18176984	481.672	IEAKZKYWQQHRSZ-DJJSWFSWSA-N	00000011110000110100100000000010000000000000000000000000	31-01-147792
O(c1/c(=C/c2n(c3cc2C(CCCCCCCC3)CC)C)/[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68826371	481.672	IEAKZKYWQQHRSZ-HZEAZFPASA-N	00000011110000110100100000000010000000000000000000000000	31-01-147793
O(c1c(=Cc2n(c3cc2C(CCCCCCCC3)CC)C)[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68826376	481.672	IEAKZKYWQQHRSZ-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-147794
O(c1/c(=C/c2[nH]c3cc2C(CCCCCC3)CCCCC)/[nH]/c(=C/2N=CC=C2)/c1)Cc1ccccc1	PC-id_18177014	481.672	NPAHMJUYYVRDGQ-GGXIEQMESA-N	00000011110000110100100000000010000000000000000000000000	31-01-147795
O(c1/c(=C/c2[nH]c3cc2C(CCCCCC3)CCCCC)/[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68827250	481.672	NPAHMJUYYVRDGQ-IIJTXBAUSA-N	00000011110000110100100000000010000000000000000000000000	31-01-147796
O(c1c(=Cc2[nH]c3cc2C(CCCCCC3)CCCCC)[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68827251	481.672	NPAHMJUYYVRDGQ-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-147797
O(c1/c(=C/c2[nH]c3cc2C(CCCCCCCC3)CCC)/[nH]/c(=C/2N=CC=C2)/c1)Cc1ccccc1	PC-id_18177001	481.672	NMQAARBKGBSHRQ-GGXIEQMESA-N	00000011110000110100100000000010000000000000000000000000	31-01-147798
O(c1/c(=C/c2[nH]c3cc2C(CCCCCCCC3)CCC)/[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68826684	481.672	NMQAARBKGBSHRQ-IIJTXBAUSA-N	00000011110000110100100000000010000000000000000000000000	31-01-147799
O(c1c(=Cc2[nH]c3cc2C(CCCCCCCC3)CCC)[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68826686	481.672	NMQAARBKGBSHRQ-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-147800
s1c2CCCCCc2c(c1NC(=O)CSc1sc(SCC(=O)NCCC)nn1)C#N	PC-id_32291674	481.678	MBJUCRNGNICBIR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147801
CC(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1CC1	SCHEMBL19553848	481.693	MALDHFKSUWXNNL-UHFFFAOYSA-N	00100000100010101100000000000010000000000000000000000000	31-01-147802
C[C@@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1CC1	SCHEMBL19553847	481.693	MALDHFKSUWXNNL-LJQANCHMSA-N	00100000100010101100000000000010000000000000000000000000	31-01-147803
O=C1N(CCCc2c1c(C)c(s2)CCC1CCN(CC1)CC1CC1)Cc1c(C)cc([nH]c1=O)C	SCHEMBL19553703	481.693	LDFQFKYAYTYYBH-UHFFFAOYSA-N	00100000100010101100000000000010000000000000000000000000	31-01-147804
CCCc1oc2c(n1)C=C(C)CC(=CC2)CCCCCCN1CCN(S1)Cc1ccnc(c1)N	SCHEMBL18598347	481.696	RIPLHKJFNFNQKN-UHFFFAOYSA-N	00000010100000101111000000000010000000000000000000000000	31-01-147805
C[Sn](c1sc(c2c1OCCCO2)[Sn](C)(C)C)(C)C	PC-id_145767354	481.795	WRYJDZMZFPCDHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147806
Clc1cc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)OC)ccc1	PC-id_58882548,SCHEMBL176459	481.946	NYTSHWHHKZXSAG-MKRMIXIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147807
Clc1cc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OC)ccc1	PC-id_58882613,SCHEMBL176573	481.946	NYTSHWHHKZXSAG-CAVPUYEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147808
Clc1cc(C=C2CCCCc3c2n[nH]c3C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OC)ccc1	PC-id_66614784,SCHEMBL176574	481.946	NYTSHWHHKZXSAG-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147809
Clc1cc(C=C2CCCCc3c2n[nH]c3C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)OC)ccc1	SCHEMBL176460,PC-id_66614767	481.946	NYTSHWHHKZXSAG-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147810
Clc1ccc(C=C2CCCCc3c2n[nH]c3C(=O)NC(Cc2ccc(F)cc2)C(=O)OC)cc1	SCHEMBL3470038,PC-id_68655112	481.946	YYFIWSHVJPMONV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147811
Clc1ccc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)OC)cc1	PC-id_58882583,SCHEMBL176663	481.946	YYFIWSHVJPMONV-OVWUPXBPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147812
Clc1ccc(C=C2CCCCc3c2n[nH]c3C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OC)cc1	PC-id_66614768,SCHEMBL176462	481.946	YYFIWSHVJPMONV-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147813
Clc1ccc(/C=C/2CCCCc3c2n[nH]c3C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OC)cc1	SCHEMBL176461,PC-id_58882639	481.946	YYFIWSHVJPMONV-RRXSNJIPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147814
Clc1ccc(C=C2CCCCc3c2n[nH]c3C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)OC)cc1	SCHEMBL176664,PC-id_66614799	481.946	YYFIWSHVJPMONV-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147815
COC(=O)C(Cc1ccc(cc1)F)NC(=O)c1c2CCCCC(=Cc3cc(ccc3)Cl)c2n[nH]1	PC-id_87074920	481.946	NYTSHWHHKZXSAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147816
CNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1Cl	MCULE-4865156427,ZINC22_21137319,PC-id_24366100,EMOLS-id_43770518,CoCoCo_3062238	481.973	WPKCFOKGBMAYMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147817
C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	CoCoCo_1155237,ZINC22_19742732,CoCoCo_1155238	481.975	YSDGVTWSQILYSZ-QGZVFWFLSA-N	00000010100000110101000000001010000000000000000000000000	31-01-147818
C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	CoCoCo_1155240,CoCoCo_1155239,ZINC22_19742734	481.975	YSDGVTWSQILYSZ-KRWDZBQOSA-N	00000010100000110101000000001010000000000000000000000000	31-01-147819
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	ChEMBL-DNDi_CHEMBL14024633,EMOLS-id_20417402,PC-id_45174451,MCULE-2893124521	481.975	YSDGVTWSQILYSZ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-147820
Clc1c(S(=O)(=O)NCC2OCCC2)cc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55536200	481.996	MWONTWDCXCZGKC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-147821
CC(C)c1ccc2-c(c(cc2CCCS(=O)(=O)Nc2ccc(Cl)cc2)S(=O)(=O)O)cc1	CHEMBL1207689,PC-id_44291637	482.013	ONVHCBQCZYEVCQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-147822
Clc1c(cc(S(=O)(=O)N2CCCC2)cc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_29984100	482.016	PESDWNPJZFJEAI-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-147823
Clc1ccc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_16924077	482.016	LVYQZKVDSVKOPY-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-147824
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(C(CN(CC3)C)C)c2)C(=O)O)cc1	PC-id_77527734	482.016	HPIRKDLXSNLSJR-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-147825
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)C(=O)OC)cc1	SCHEMBL13394917,PC-id_25020169	482.016	SALGPBVFNDJFQX-KGLIPLIRSA-N	00000010100100000100000000000010000000000000000000000000	31-01-147826
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(C(CN(CC3)C)C)c2)C(=O)O)cc1	SCHEMBL3308757,PC-id_68590542	482.016	HPIRKDLXSNLSJR-AOUZGSJDSA-N	00000010100100000100000000000010000000000000000000000000	31-01-147827
C1C=C(c2c(C(=O)N1)[nH]c(c2Br)Br)NNc1ncc(cn1)C(F)(F)F	PC-id_90867211	482.053	GHCPIUZYOTUMPJ-UHFFFAOYSA-N	00000000100000100111000000000010000000000000000000000000	31-01-147828
C1CNC(=O)c2c(/C/1=N/Nc1ncc(cn1)C(F)(F)F)c(c([nH]2)Br)Br	PC-id_135409607,SCHEMBL13341118	482.053	OWDJYGGJOSVFEA-TXNBCWFRSA-N	00000000100000100101000000000010000000000000000000000000	31-01-147829
C1CNC(=O)c2c(C1=NNc1ncc(cn1)C(F)(F)F)c(c([nH]2)Br)Br	PC-id_136648353	482.053	OWDJYGGJOSVFEA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-147830
C1CNC(=O)c2c(/C/1=NNc1ncc(cn1)C(F)(F)F)c(c([nH]2)Br)Br	SCHEMBL3425081,PC-id_136383970	482.053	OWDJYGGJOSVFEA-OUBWWKSTSA-N	00000000100000100101000000000010000000000000000000000000	31-01-147831
c1(sc2c(CCCCC2)n1)NC(=O)[C@H]1CC[C@@H](CC1)CNS(=O)(=O)c1ccc(cc1)Cl	MCULE-9709081486,EMOLS-id_323440825	482.059	FSLJXEUCSGJUPS-WKILWMFISA-N	00000000100010110101000000000010000000000000000000000000	31-01-147832
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3C(CN(CCc3c2)C)C)COC)cc1	SCHEMBL3312535,PC-id_68591936	482.059	PSGMAUYPQZFMCX-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-147833
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3C(CN(CCc3c2)C)C)COC)cc1	PC-id_59285198,SCHEMBL3312537	482.059	PSGMAUYPQZFMCX-CZVYVAOFSA-N	00000010100100000100000000000010000000000000000000000000	31-01-147834
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@@](C#C)(C(F)(F)F)O)C#N	PC-id_160077479	482.087	AJJWSHAJCAUYQG-BEFAXECRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147835
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@](C#C)(C(F)(F)F)O)C#N	PC-id_160077480	482.087	AJJWSHAJCAUYQG-DNVCBOLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147836
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@@](C#C)(C(F)(F)F)O)C#N	PC-id_160077481	482.087	AJJWSHAJCAUYQG-KXBFYZLASA-N	00000000100000110101000000000010000000000000000000000000	31-01-147837
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@](C#C)(C(F)(F)F)O)C#N	PC-id_160077482	482.087	AJJWSHAJCAUYQG-HNAYVOBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147838
CN1C=C2C(=C1C(NC3=CC(=C(C(=C3)F)F)F)O)CC[C@@H](NS2(=N)=O)CC4=CC=C(C=C4)F	PC-id_154991315	482.14	CVLRVWYAWDCEGH-OBFXPXEFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147839
CC(=C/C(=CC(=C)[C@@H]1CCCCn2c1nc(n2)Nc1cc(c(cc1)n1cc(nc1)Cl)OC)/F)C	PC-id_163654531	482.2	IPAMWANOIMPNEY-YWFITGJYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147840
C1CC(CCC1CCN2CCC3=C(CC2)SC(=N3)OCC(F)F)CC(=O)CCC(F)(F)F	PC-id_162232312	482.203	ZVPAXLBWQSQNHJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147841
CC1=NC(=NO1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_149083511	482.216	QQUGQYIZGHKYRE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147842
CC1=NON=C1CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_160036309	482.216	OMMOCHRNXZRPSE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147843
CC(C)CC(C(=O)CC1CC2=CC(=NN2)CCCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_148863901	482.253	OZVUPZRFROHFSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147844
CC(C)CC(C(=O)CC1CC2=NN(CCCCNC(=O)C1=O)C=C2)NC(=O)OCC3=CC=CC=C3	PC-id_160746596	482.253	RWGNZCDGXDSGSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147845
CC(C)CC(C(=O)CC1CCC2=C(CCCNC(=O)C1=O)NN=C2)NC(=O)OCC3=CC=CC=C3	PC-id_161484060	482.253	WETAYQHJYCPTSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147846
CC(C)CC(C(=O)CC1CCCN2C=C(CCNC(=O)C1=O)C=N2)NC(=O)OCC3=CC=CC=C3	PC-id_148582744	482.253	MZBDTZPYAQOYJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147847
CC(C)C(C(=O)CC1CCC2=C(CCCCNC(=O)C1=O)NN=C2)NC(=O)OCC3=CC=CC=C3	PC-id_146785245	482.253	RUSPEUMRHYTZDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147848
Brc1ccc2-c(c(OC(=O)OCC)c(N(C(=O)C)C(=O)C)c2OC(=O)OCC)cc1	PC-id_17776035,SCHEMBL8333442	482.279	LYUMDWAUPITJRA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147849
CC1=c2c(=NC(=CCC1)NC1CCC[C@@H](CC1)C(C)C(=O)C=C)c(c[nH]2)C(=O)N[C@@H]1CC[C@@H](C1)F	PC-id_163945330	482.306	RUOUQGDOGMGKMS-ZHGPVEJGSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147850
Brc1sc(Br)c2OCC(CCCCCC)(CCCCCC)COc12	SCHEMBL2342174,PC-id_58403341	482.313	AMNZFBPWLPNQQC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147851
Brc1cc(C(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(O)cc1	PC-id_3925587	482.345	KPANFRFVFPCJPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147852
Brc1oc(C=CC(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_4612039	482.345	TZQLIQJNARZEJK-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-147853
Brc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_112834536	482.373	ZQBQLVUPBKKFKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147854
Brc1ccc(C(=O)Nc2ccc(CC(=O)NCc3n4CCCCCc4nn3)cc2)cc1	PC-id_60464967	482.373	DVTXXDFAFCKPIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147855
c1(NC(=O)C(=O)NN=Cc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)OCC	MCULE-6017632471,PC-id_2020774	482.38	MZXHSTOKCWPMPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147856
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(cc2Cl)Cl)sc2c1CCCCC2	EMOLS-id_26348779,STOCK4S-73235,PC-id_6890372	482.38	MZXHSTOKCWPMPX-BHGWPJFGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147857
Clc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_19659467	482.38	WKCQXDLYKYFYSK-BHGWPJFGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147858
Clc1cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_73633953	482.38	WKCQXDLYKYFYSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147859
Clc1c(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cccc1Cl	PC-id_19658736	482.38	HGNSIJIIWHXURG-BHGWPJFGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147860
Clc1c(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cccc1Cl	PC-id_73633237	482.38	HGNSIJIIWHXURG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147861
c1(NC(=O)CCC(=O)Nc2c(Br)cc(c(OC)c2)OC)sc2c(CCCCC2)n1	EMOLS-id_335134869,MCULE-5272268006	482.391	XPSOQGOVIUPMAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147862
c1(NC(=O)CCC(=O)Nc2c(OC)cc(c(OC)c2)Br)sc2c(CCCCC2)n1	MCULE-9445913866,EMOLS-id_335121561	482.391	CTAPJOXYLOOPFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147863
Brc1cc(/C=c/2s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)CC=C)ccc1	CoCoCo_3610886,PC-id_2309449	482.396	ACHIONYPOLJKHA-IMWYKSJCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147864
Brc1cc(/C=c/s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)CC=C)ccc1	PC-id_2309450,CoCoCo_3610887	482.396	ACHIONYPOLJKHA-JWRHMULSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147865
Brc1cc(C=c2sc(=C(c3n4CCCCCc4nn3)C#N)n(c2=O)CC=C)ccc1	PC-id_4465641,MCULE-2809070460,EMOLS-id_44488422	482.396	ACHIONYPOLJKHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147866
Brc1ccc(C=c2c(=O)n(CC=C)c(=C(c3n4c(CCCCC4)nn3)C#N)s2)cc1	PC-id_3327792,MCULE-5589020673,EMOLS-id_44488430	482.396	LVMZVYNIQLYZBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147867
Brc1ccc(/C=c/2s/c(=C(c3n4CCCCCc4nn3)/C#N)/n(c2=O)CC=C)cc1	CoCoCo_3610901,PC-id_2309300,CoCoCo_3610904	482.396	LVMZVYNIQLYZBW-NZMUFIEBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147868
Brc1ccc(/C=c/2s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)CC=C)cc1	PC-id_2309302,CoCoCo_3610903,CoCoCo_3610902	482.396	LVMZVYNIQLYZBW-IMWYKSJCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147869
Brc1ccc(/C=c/s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)CC=C)cc1	PC-id_2309303	482.396	LVMZVYNIQLYZBW-JWRHMULSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147870
Brc1ccc(/C=c/s/c(=C(/C#N)c3nnc4CCCCCn34)/n(CC=C)c2=O)cc1	PC-id_2309301,EMOLS-id_45973124,ZINC22_103834906	482.396	LVMZVYNIQLYZBW-NXNKHYCMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147871
C=CCn1c(=O)/c(=C/c2cccc(Br)c2)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	CoCoCo_3610888,PC-id_2309447,CoCoCo_3610885,ZINC22_3169172	482.396	ACHIONYPOLJKHA-NZMUFIEBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147872
COc1ccc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_20166135,ZINC22_32125164	482.414	XPJNBGZIGXJTSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147873
COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1Br	ZINC22_32125335,PC-id_20166130	482.414	IOYMBISPUSYFGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147874
BrC(=CC1OC(=O)C=CC=C(CC(OC(=O)CCCCc2nc(sc2)C1)C)C)C	PC-id_72259759	482.431	ZGSQXOIKUQMEKS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-147875
Br/C(=C/[C@H]1OC(=O)C=CC=C(C[C@@H](OC(=O)CCCCc2nc(sc2)C1)C)C)/C	PC-id_59343212	482.431	ZGSQXOIKUQMEKS-NIJLHCRLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-147876
Br/C(=C/[C@H]1OC(=O)/C=C/C=C(/C[C@@H](OC(=O)CCCCc2nc(sc2)C1)C)C)/C	PC-id_73054709	482.431	ZGSQXOIKUQMEKS-VMEGYVJOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-147877
CC1OC(=O)CCCCc2csc(n2)CC(OC(=O)/C=CC=C(C1)/C)/C=C(/Br)C	SCHEMBL12845078	482.431	ZGSQXOIKUQMEKS-JTJNMVNVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-147878
C[C@@H]1OC(=O)CCCCc2csc(n2)C[C@H](OC(=O)/C=CC=C(C1)/C)/C=C(/Br)C	SCHEMBL12779434	482.431	ZGSQXOIKUQMEKS-ZLAIPZAXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-147879
Cc1onc(c1)CC1(C)COc2c(S(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)P)F)C	SCHEMBL21337322,PC-id_139471323	482.441	ZOYZNXQFXBFXRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147880
c1(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)sc2c(c(ccc2)Cl)c1Cl	PC-id_1760782,ZINC22_2105759,EMOLS-id_4161498,MCULE-7760761248,CoCoCo_6789413,SPECS-id_AK-968/41021274,TIMTEC254152	482.443	JZFAEMDTPOKIOK-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-147881
c1(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c(Cl)c2c(cc(cc2)Cl)s1	TIMTEC469998,MCULE-6866722229,EMOLS-id_4161500,PC-id_5113383,CoCoCo_6789637,ZINC22_20168384	482.443	TZXLRGWGIPXPJO-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-147882
Clc1cc(CC2c3n(nc(c3CCCC2)C(=O)NC2CCC2)Cc2ccc(Cl)cc2)ccc1	PC-id_25026410,SCHEMBL176830	482.445	BPKXZFHHLFRHAG-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-147883
Ic1c(C(=O)N2CCN(CC2)Cc2n3CCCCCc3nn2)ccc(F)c1	PC-id_46483160	483.322	NFNIWFCYXSNIFW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148063
Clc1ccc(cc1)CC1CCCCc2c1n(Cc1ccc(cc1)Cl)nc2C(=O)N(C1CC1)C	SCHEMBL257722,PC-id_66635840	482.445	IHWQLTLFTFAWMT-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-147884
Clc1ccc(cc1)CC1CCCCc2c1n(Cc1ccc(cc1)Cl)nc2C(=O)NC1CCC1	SCHEMBL176400,PC-id_58882478	482.445	QVMVAWAAQRTCHF-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-147885
Brc1sc2c(c1)C(=O)N(CCS2)CCCCN1CCN(CC1)c1ncccn1	PC-id_19881101,SCHEMBL9038296	482.461	KTAPSXHRJPQRGG-UHFFFAOYSA-N	00000000100010100101100000000010000000000000000000000000	31-01-147886
c1(NC(=O)c2ccc(c(Cl)c2)Cl)sc2c(CCCCCCCCCC2)c1C(=O)OCC	EMOLS-id_8243203,MCULE-1503336673,CoCoCo_6918504,TIMTEC101867,SPECS-id_AK-968/11492119,ZINC22_2080263,PC-id_1739963	482.463	CLGWVGZEMYSFBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147887
s1c2CCCCCc2c(c1NC(=O)COC(=O)CN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])C#N	PC-id_4013186	482.466	MOPNCQJXOFHTEJ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-147888
CCN1CCc2c(C1)sc(c2CNC(=O)Nc1sc2c(c1C)CCCCC2)Br	SCHEMBL20922716,PC-id_138565118	482.501	ASVFVNXCQIDIMO-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-147889
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(OC)c(c(OC)c1)OC)c2)Cc1ccc(cc1)F	EMOLS-id_16324736,CoCoCo_2544593,PC-id_20964762,MCULE-6788530299	482.504	UWDFKEGHWCQECN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147890
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(OC)c(c(OC)c1)OC)c2)Cc1cccc(F)c1	MCULE-8407882769,EMOLS-id_32633026,PC-id_16028424	482.504	HAIVUSJHIRXJSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147891
Cc1c([nH]c2c1C(=O)N(CCC2)CCN(C)C)C=C1c2cc(c(cc2NC1=O)NC(=O)CN=O)F	PC-id_89099107	482.507	VPXLYYMQSKWOGP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-147892
O=NCC(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN(C)C)/c2cc1F	SCHEMBL13480121	482.507	VPXLYYMQSKWOGP-GDNBJRDFSA-N	00000010100000100100000000001010000000000000000000000000	31-01-147893
C1COCCC1CN1CCNc2c(C1=O)n(c(n2)COc1cc(cc(c1)F)F)Cc1ccccc1	PC-id_134806581	482.522	ZVUILGBFHYERFL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147894
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCc1onc(n1)c1ccc(F)cc1)C)C#N	PC-id_55427613	482.527	CPVBHYROEIRXHR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147895
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1cc2c(cc1)OCO2)Cc1ccccc1	PC-id_134808992	482.53	OXMKIOBDKIAMJW-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-147896
Fc1cc(ccc1n1nc(nc1Cc1ccccc1)CN1CCc2c(CC1)con2)S(=O)(=O)N	SCHEMBL13100262,PC-id_59532302	482.531	DJRAZXIRKOKJBP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147897
C=C1CN(Cc2c(N1)n(C)nc2)C(=O)C1CCC(CC1)CNC(=O)OCc1ccc(cc1)[N+](=O)[O-]	PC-id_143188847	482.532	YJFTYMSMCOSLDU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147898
CNc1ccc(cc1)N1CC(=CC(=N1)Cc1ccnc(c1)OC)NC(=O)c1cnn2c1N=CCC=C2	PC-id_144446343	482.537	LKRZVDMMHONEAO-UHFFFAOYSA-N	00000000100011111111100000000010000000000000000000000000	31-01-147899
OC(CN1CCCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)cc2)CN1CCOCC1	PC-id_145511824	482.547	JLSBRVATJUFMHY-MOSHPQCFSA-N	00000010100010100101000000001010000000000000000000000000	31-01-147900
[O-]C(=O)CCC([N+](=O)[O-])(CC1CCCCc2n1c(=O)on2)CC(C(C)(C)C)C(=O)OC(C)(C)C	PC-id_69898362,SCHEMBL6796644	482.547	QONUQMOBEGIQRC-UHFFFAOYSA-M	00000000100000000101000000000010000000000000000000000000	31-01-147901
CC(C(C(=O)NC1Cc2cnc(s2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21109350,PC-id_138730199	482.549	NDSWAKCHVMJHLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147902
CC(C(C(=O)NC1Cc2ncc(s2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21109346,PC-id_138730195	482.549	QMFLGRNWYPLCLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147903
O1c2cc(CC(C[NH+]3CCn4c(nnc4CNC(=O)c4oc(cc4)COC)CC3)C)ccc2OC1	PC-id_74498682	482.552	ORPBCJAHSUOKQY-UHFFFAOYSA-O	00000010101000100101000000001010000000000000000000000000	31-01-147904
O1c2cc(C[C@@H](C[NH+]3CCn4c(nnc4CNC(=O)c4oc(cc4)COC)CC3)C)ccc2OC1	PC-id_26343771	482.552	ORPBCJAHSUOKQY-KRWDZBQOSA-O	00000010101000100101000000001010000000000000000000000000	31-01-147905
O1c2cc(C[C@H](C[NH+]3CCn4c(nnc4CNC(=O)c4oc(cc4)COC)CC3)C)ccc2OC1	PC-id_26343773	482.552	ORPBCJAHSUOKQY-QGZVFWFLSA-O	00000010101000100101000000001010000000000000000000000000	31-01-147906
O=C1N(CCCCCn2ncc(n2)OCC2(C)COc3c(OC2)csc3)C(=O)c2c1cccc2	SCHEMBL5805519,PC-id_69573475	482.552	RNBVKEKZJPDMBU-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-147907
s1c2c(CCCCC2)c(c1NC(=O)c1cc(Cn2nc([N+](=O)[O-])c(c2)C)ccc1)C(=O)OCC	PC-id_23827646	482.552	FOMFWRVLUWOLOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147908
c1(csc(c2cccs2)n1)C(=O)N1CCn2c(CC1)nnc2CNC(=O)c1cccc(F)c1	EMOLS-id_232721135,PC-id_42238038,MCULE-8694878459,ZINC22_11871043,ChEMBL-DNDi_CHEMBL23882455	482.554	BBXQXGDZOUQJJK-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-147909
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccc(cc3)N(CC)CC)CCn12	PC-id_45200969,EMOLS-id_20532861,ChEMBL-DNDi_CHEMBL34635663,MCULE-9618283444	482.569	OBXOTVBJWZGDLD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147910
CCN(CC)c1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1	CoCoCo_1318643,PC-id_29212487,ZINC22_20909401,CoCoCo_1318642	482.569	OBXOTVBJWZGDLD-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147911
CCN(CC)c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)cc1	PC-id_29212484,ZINC22_20909398,CoCoCo_1318641,CoCoCo_1318640	482.569	OBXOTVBJWZGDLD-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147912
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(CCCC)c1ccc(F)cc1)C#N	PC-id_46582945	482.57	KTAXZMOYYNEFPG-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-147913
CCC1=CCc2c(C=C1)[nH]c(c2)C(=O)N[C@H]1CCCC1NC(=O)c1ccc(cc1)n1ccccc1=O	PC-id_142943617	482.574	CFQOKMXKJGURKA-BBMPLOMVSA-N	00000010100000111110100000000010000000000000000000000000	31-01-147914
c12C(=O)N(CCCn1nc(C(=O)NC(C)C(=O)NCCN1CCOCC1)c2)Cc1ccccc1C	MCULE-7049772954,EMOLS-id_25387786,PC-id_46050037	482.575	SQVPKGBSTVTVCR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147915
c12C(=O)N(CCCn1nc(C(=O)NCCC(=O)NCCN1CCOCC1)c2)Cc1ccc(C)cc1	EMOLS-id_25388608,MCULE-1257615385,PC-id_46049983	482.575	PVIFFIWHJLPLJC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147916
Cc1cccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCCN2CCOCC2)c1	PC-id_46050031,MCULE-4536484304,EMOLS-id_25388504	482.575	FAKBQVNBMJCDBF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147917
CC(NC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1)C(=O)NCCN1CCOCC1	EMOLS-id_25387808,PC-id_46049994,MCULE-2503617402	482.575	FKSRJYPBASYBDP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147918
O1CCN(CC1)CCNC(=O)CCNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1	PC-id_46159998	482.575	ADRGEUDXZQOHCX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147919
O1CCN(CC1)CCNC(=O)CN(C(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)C	MCULE-7192378155,EMOLS-id_25388236,PC-id_46050043	482.575	SQNSNLOWLCRLQD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147920
O1CCN(CC1)CCNC(=O)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	EMOLS-id_25388586,PC-id_46049964,MCULE-1003782717	482.575	GZTXDPSFSHMIHM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147921
O1CCN(CC1)CCNC(=O)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C	PC-id_46049959	482.575	DUPABGPMZQWOTE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147922
O1CCN(CC1)CCNC(=O)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)C	PC-id_46050005	482.575	MSGLJDXVKCSYRL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147923
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1C)C)NCCN1CCOCC1	PC-id_92985969	482.575	SQVPKGBSTVTVCR-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-147924
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1C)C)NCCN1CCOCC1	PC-id_92985970	482.575	SQVPKGBSTVTVCR-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147925
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(nc(nc1SC)c1occc1)C)C#N	PC-id_30656877	482.575	FXNWRSDTRAPPGZ-UHFFFAOYSA-N	00000000101000100101100000000010000000000000000000000000	31-01-147926
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(SCc2onc(n2)C)cccc1)C#N	PC-id_30392191	482.575	DXLVROFIHUHUCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147927
s1c2CCCCCc2nc1NC(=O)c1c(SCC(=O)Nc2cc3OCOc3cc2)nccc1	PC-id_55508131	482.575	NSKPQYYPBKZHGE-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-147928
c1(C(C)NC(=O)c2cccnc2)nnc2CCN(Cc3cccc(c3)OCc3ccccc3)CCn12	MCULE-6626581040,PC-id_45179617,EMOLS-id_20439645	482.577	CEVYFWSDPVYEGY-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147929
C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1cccc(OCc3ccccc3)c1)CC2	CoCoCo_1186153,PC-id_42460173,ZINC22_12201502,CoCoCo_1186152	482.577	CEVYFWSDPVYEGY-NRFANRHFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147930
C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1cccc(OCc3ccccc3)c1)CC2	ZINC22_12201491,CoCoCo_1186150,CoCoCo_1186151,PC-id_42460167	482.577	CEVYFWSDPVYEGY-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147931
S(=O)(=O)(N1CCN(CC1)Cn1nc2n(CCCCC2)c1=S)c1cc([N+](=O)[O-])c(OC)cc1	PC-id_27085983	482.577	OCEQHHCFYNWXKB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-147932
Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)F)sc4CC3)CC2)no1	SCHEMBL21041922,BindingDB-id_989471	482.587	IICULBIXLVHQLU-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147933
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1noc(c1)C)F	PC-id_138671535	482.587	IICULBIXLVHQLU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147934
CCOC(=O)c1ccc(cc1)c1ccc(cc1)OCCCCCOC1COc2c(OC1)csc2	SCHEMBL13701411,PC-id_57838383	482.588	ZLHNJENOFZINFN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147935
CC(C[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(c(c1)F)F)NC(=O)c1cc(C)cc(c1)C)C	GD-id_ZINC12190729,PC-id_42451740	482.589	YMMRDLVJYFYCNJ-DEOSSOPVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147936
Fc1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc1F	PC-id_42451738	482.589	YMMRDLVJYFYCNJ-XMMPIXPASA-O	00000000100000110101000000000010000000000000000000000000	31-01-147937
Fc1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc1F	PC-id_74804279	482.589	YMMRDLVJYFYCNJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-147938
CCCN1CC/C(=N/O)/c2c(C1=O)n(CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)cc2	PC-id_100955397	482.59	STMXDZNNDHMSMW-OLFWJLLRSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147939
CCCN1CCC(=NO)c2c(C1=O)n(CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)cc2	PC-id_85191761,SCHEMBL9039895	482.59	STMXDZNNDHMSMW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147940
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(/C(=N/O)/CCN(C3=O)CCC)cc2)cc1	PC-id_10576772	482.59	STMXDZNNDHMSMW-RMLRFSFXSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147941
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(/C(=N/O)/CCN(C3=O)C(C)C)cc2)cc1	PC-id_10696168	482.59	MGCWEBGCNNPYGK-RMLRFSFXSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147942
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(C(=NO)CCN(C3=O)C(C)C)cc2)cc1	PC-id_85235898,SCHEMBL9038688	482.59	MGCWEBGCNNPYGK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147943
O/N=C
/CCN(C(=O)c2c1ccn2CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)C(C)C	PC-id_100955398	482.59	MGCWEBGCNNPYGK-OLFWJLLRSA-N	00000000100010110100000000000010000000000000000000000000	31-01-147944
c1(NC(=O)CCCCCN2C(=O)c3c(cccc3)C2=O)sc2c(CCCCC2)c1C(=O)OCC	PC-id_5023727,ZINC22_9425534,CoCoCo_5970176,MCULE-2285237148,EMOLS-id_6114223	482.592	ZOUJALXEAZTWTN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-147945
COc1cc(C(=O)N2CCCCc3sccc23)ccc1NC(=O)c1ccccc1c1ccccc1	CHEMBL368462,PC-id_11317662	482.593	LTZZPEJJGSQGSD-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-147946
COc1cc(NC(=O)c2ccccc2c2ccccc2)ccc1C(=O)N1CCCCc2sccc12	BindingDB_PC-id_11190868,CHEMBL175930,PC-id_11190868	482.593	AQDLQNVRLVJCSR-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-147947
O=C(c1ccccc1OCc1ccccc1)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709989	482.593	QOYGDTXBFCNCGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-147948
O=C(C1CCN(CC1)C(=O)OC(C)(C)C)NC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C	EMOLS-id_323943406,PC-id_146160662	482.594	QPVGMDDEBBREKR-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-147949
c1(c2CCCCCCc2sc1NC(=O)c1ccn(CC)n1)C(=O)Nc1c(OC)ccc(OC)c1	TIMTEC322853,PC-id_17373018,CoCoCo_6808205,ZINC22_20215413,MCULE-2832171684,EMOLS-id_4161782	482.595	MXULYKQOFRRNFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147950
COCCCN(C(=O)c1cc2c(s1)CCCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ChEMBL-DNDi_CHEMBL1397430,CHEMBL1397430,EMOLS-id_19450514,MCULE-7828508373,PC-id_24398675,CoCoCo_3270582,ZINC22_13010475	482.595	XUSXVFOZMOHZSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147951
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1OC)CC	PC-id_42381544	482.595	HGHUKSZRQMKUKP-HXUWFJFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147952
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)ccc1OC)CC	PC-id_42381547	482.595	HGHUKSZRQMKUKP-FQEVSTJZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147953
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3oc(cc3)COC)CC(C)C)CC2)ccc1)C	PC-id_26356870	482.595	SZNDLMMFSUWEFY-QFIPXVFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147954
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3oc(cc3)COC)CC(C)C)CC2)ccc1)C	PC-id_26356874	482.595	SZNDLMMFSUWEFY-JOCHJYFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147955
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)ccc1OC)CC	PC-id_74793684	482.595	HGHUKSZRQMKUKP-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147956
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3oc(cc3)COC)CC(C)C)CC2)ccc1)C	PC-id_74501489	482.595	SZNDLMMFSUWEFY-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147957
O=C1OCCCCCN(c2c(CCC1)n(nn2)Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C	PC-id_101428439	482.595	QDTDVVKKIDNDOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147958
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(OC)cc1)CC(C)C)c1oc(cc1)COC	PC-id_74804189	482.595	SDWJKRFMLLRKJX-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147959
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(OC)cc1)CC(C)C)c1oc(cc1)COC	PC-id_42451124	482.595	SDWJKRFMLLRKJX-QFIPXVFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147960
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(OC)cc1)CC(C)C)c1oc(cc1)COC	PC-id_42451126	482.595	SDWJKRFMLLRKJX-JOCHJYFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-147961
s1c2CCCCCCc2cc1C(=O)N(c1c(n(Cc2ccccc2)c(=O)[nH]c1=O)N)CCOC	PC-id_60393475	482.595	OYPYEWYHDHUCHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147962
s1c2CCCCCCc2cc1C(=O)N(c1c(n(CCOC)c(=O)[nH]c1=O)N)Cc1ccccc1	PC-id_60392695	482.595	OKOCETLFVPZATP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147963
CC(NSO[C@H](C(=O)O)CNC(=O)c1cc2n(n1)CCCN(C2=O)CCC1CCNCC1)C	PC-id_141815036	482.597	VNHQSMPZGRTOTC-SFHVURJKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-147964
O=C(N1CCCN(c2c1ccs2)Cc1cccnc1)c1ccc(cc1)NC(=O)c1ccccc1C	PC-id_139709985	482.597	WXARMOXFILYJFK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-147965
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)c1cc(OC)ccc1	PC-id_74499098	482.597	SUOLYEGGMFNHSH-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-147966
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)COc1ccccc1	PC-id_42322452	482.597	CDTMEZMLMOTLLY-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-147967
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)COc1ccccc1	PC-id_74500812	482.597	TZESDQUYTRUWSW-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-147968
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)COc1ccccc1	PC-id_42367737	482.597	SYYMDNNSOOTEJE-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-147969
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)c1cc(OC)ccc1	PC-id_26347579	482.597	SUOLYEGGMFNHSH-NRFANRHFSA-O	00000000100000110101100000000010000000000000000000000000	31-01-147970
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)c1cc(OC)ccc1	PC-id_26347583	482.597	SUOLYEGGMFNHSH-OAQYLSRUSA-O	00000000100000110101100000000010000000000000000000000000	31-01-147971
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)COc1ccccc1	GD-id_ZINC14994601,PC-id_26350037	482.597	TZESDQUYTRUWSW-JOCHJYFZSA-O	00000000100000110101100000000010000000000000000000000000	31-01-147972
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1ccccc1)C)COc1ccccc1	PC-id_26350041	482.597	TZESDQUYTRUWSW-QFIPXVFZSA-O	00000000100000110101100000000010000000000000000000000000	31-01-147973
O=C(c1ccc2-c1cc(ccc2)C(C)C)OCCCCOC(=O)c1ccc2-c1cc(ccc2)C(C)C	PC-id_102213808	482.61	LGLYLJPUYOHJDX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147974
O(C(=O)c1c2-c(c(CCCC)c1)ccccc2)CCOC(=O)c1c2-c(c(CCCC)c1)ccccc2	PC-id_10928967	482.61	HQLRJSAWNZZUQJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-147975
CCCCc1cc(c2-c1cccc(c2)C(C)C)S(=O)(=O)NCCc1ccc(cc1)OCC(=O)[O-]	GD-id_ZINC13826253	482.612	RXNSPLFCLVSXFH-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-147976
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCC)CCC	SCHEMBL9337384,PC-id_19102926	482.613	PRFHDTXLWMUQGX-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-147977
CCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CC)CC	SCHEMBL9335528,PC-id_19102898	482.613	NWNWDDDXFMETOO-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-147978
O=c1c(cc2n(c(nc2cc1CC)CCCCC)Cc1c(c(ccc1)c1ccccc1)C(=O)O)CC	PC-id_19822332	482.613	UAPIYDYGOVCONO-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-147979
CC(C)[C@H]1NC(=O)C(C)(C)NC(=O)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O	PC-id_56673568,CHEMBL1796693	482.617	ZASZPTHVPKWNCX-FKQLVMLNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147980
O(c1cc(CNCCc2n3CCCCCc3nn2)ccc1OCc1ccccc1)Cc1ccccc1	PC-id_56438325	482.617	XPHPPZYNKASTKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147981
O(C[C@@H](O)[C@@H]1NCCCCCc2n(nnc2)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_57338533	482.617	CRVDSWNVUJMHEN-FQLXRVMXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147982
O(CC(O)C1NCCCCCc2n(nnc2)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_76515703	482.617	CRVDSWNVUJMHEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147983
s1c2nc(C(=O)NC(C(=O)NC(C(C)C)C(=O)OC(CC(=O)NC2)C=CCCS)(C)C)c1	PC-id_75994408	482.617	ZASZPTHVPKWNCX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147984
s1c2nc(C(=O)NC(C(=O)N[C@@H](C(C)C)C(=O)O[C@@H](CC(=O)NC2)/C=C/CCS)(C)C)c1	SCHEMBL15171179,PC-id_53258556	482.617	ZASZPTHVPKWNCX-FDOGZAMYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147985
SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(N/C(=CC)/C(=O)N[C@H](C(=O)O1)C(C)C)O	PC-id_145577493	482.617	UDGZIDATKCRHJM-JYHOMLNKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-147986
CC(C)CN(CCC(=O)NCCN(C)C)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25387260,MCULE-5713766114,PC-id_46049609	482.618	SDIOBVUSTPXOGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147987
CCC(N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NCCN(C)C)C	MCULE-8512833987,PC-id_46049650,EMOLS-id_25387550	482.618	PCKZQGQLGOIVTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147988
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCC(=O)Nc1ccc(cc1)C(=O)N	GD-id_ZINC29448749	482.618	HZXGNKXWWDEXKN-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-147989
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccccc1)CC=C)C(=O)OC	PC-id_19728018	482.618	UPIYTTNMXKPTTD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147990
s1c2CCCCCc2c(c1NC(=O)C(Sc1oc(nn1)COc1c(ccc(c1)C)C)C)C#N	PC-id_24498259	482.618	LXRRZMKNPMXPLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147991
CN1CCC(CC1)C(c1ccc(cc1)NC(=O)c1cccnc1NC1C=CC=c2c(=C1)[nH]nc2)(C)C	PC-id_142853049	482.62	ADLDKDYDMKKWMA-UHFFFAOYSA-N	00000000100010111111000000000010000000000000000000000000	31-01-147992
Cc1ccc(OCc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)n2N)c(C)c1	EMOLS-id_11775615,PC-id_16335642,CoCoCo_3971515,ZINC22_9257718,MCULE-3107518859	482.622	YLCLUWUNNWKYJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-147993
COCCn1c(nnc1c1ccncc1)SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	EMOLS-id_11835692,PC-id_16377628,MCULE-7796144381	482.622	VTVVZVYWXHHHPN-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-147994
COCCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccncc1	ZINC22_9376169,CoCoCo_4172695,PC-id_41040857	482.622	VTVVZVYWXHHHPN-HNNXBMFYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-147995
COCCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccncc1	ZINC22_9376170,PC-id_41040858,CoCoCo_4172694	482.622	VTVVZVYWXHHHPN-OAHLLOKOSA-N	00000000100000101101100000000010000000000000000000000000	31-01-147996
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(N2CCCC2)nn1)Cc1occc1)C#N	PC-id_16586821	482.622	MSNACDZLWUWMKZ-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-147997
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(N)c(nn1)c1ccc(OCC)cc1)C)C#N	PC-id_24499953	482.622	XNMVJBAKPBGEDG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-147998
COC(=O)c1c(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)sc2CCCCCc12	ZINC22_10186830,CoCoCo_5174685,MCULE-8319013144,EMOLS-id_12046022,PC-id_16830527	482.637	OPLHVYAKEDNVDP-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-147999
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1sccc1	PC-id_44004762	482.637	DKUXGVLUUGCQTI-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-148000
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1sccc1	PC-id_16826394	482.637	NKDOHUGPOGQWJC-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-148001
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1sccc1	PC-id_44027201	482.637	PGVUEXLKIVFMRQ-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-148002
S(=O)(=O)(N1CCN(CC1)C(=O)c1sc2c(CCCCCC2)c1)c1scc(c1)C(=O)OC	PC-id_55430342	482.637	KIMLNNRXPSEAOB-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-148003
s1c2c(CCCCC2)cc1C(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CCC(C)C	PC-id_74269834	482.638	BXSBBWBIDBYMLS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148004
O=C(C1CCN(CC1)Cc1ccccc1)Nc1ccc(c(c1)C(=N)c1cc2c(s1)C=CC=CC2)N	PC-id_142179155	482.64	VCSHQAJUJGZTIT-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-148005
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)C(C)C)nn1)C(=O)OCC	PC-id_23736239	482.64	NRQBNCIEOININR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148006
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)CCC)nn1)C(=O)OCC	PC-id_24016289	482.64	KLDVKLNJKMYAMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148007
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CC)nn1)C)C(=O)OCC	PC-id_23850663	482.64	CCMJFAJTXLHEEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148008
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)N(C)c3ccccc3)CCn12	ChEMBL-DNDi_CHEMBL82777659,MCULE-9739378200,PC-id_45241736,EMOLS-id_20704819	482.641	GIOZVHNLCUMFLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148009
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	CoCoCo_1577549,ZINC22_14988045,CoCoCo_1577548,PC-id_26342601	482.641	GIOZVHNLCUMFLH-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-148010
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	ZINC22_14988048,CoCoCo_1577551,CoCoCo_1577550,PC-id_26342606	482.641	GIOZVHNLCUMFLH-DEOSSOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148011
C/C=C/CC1C(=C)Nc2c(CN1C(=O)C1CCC(CC1)CNC(=O)CC1CCNCC1)cnn2C	PC-id_143189048	482.661	OKXDSDWTRJYQRZ-SNAWJCMRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148012
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(Cn2nc(cc2C)C)cc1)C(=O)OCC	PC-id_20168979	482.661	CCDDAHYZENFKTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148013
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(Cn2nc(cc2C)C)ccc1)C(=O)OCC	PC-id_20171791	482.661	ZWDWTXGPNKUNTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148014
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(cccc1)C)C)C(=O)OC	PC-id_19676954	482.661	BHDCOLKWRRJQLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148015
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccc(cc1)C)C)C(=O)OC	PC-id_19679467	482.661	RUVAQQBIAAAIRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148016
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccccc1)C)C(=O)OCC	PC-id_19677986	482.661	IHGUMDYJASUZSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148017
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(Cn2nc(cc2C)C)cc1)C(=O)OC	PC-id_20168972	482.661	BDSZCJCEUBHESE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148018
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(Cn2nc(cc2C)C)ccc1)C(=O)OC	PC-id_20171784	482.661	BEKDKDPQUIPMIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148019
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1c(cccc1)C)C(=O)OCC	PC-id_19679625	482.661	KRGUCQSVQPPCCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148020
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccc(cc1)C)C(=O)OCC	PC-id_20168877	482.661	RIKHESNGUUQQRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148021
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccccc1)C)C(=O)OC	PC-id_19677979	482.661	BUDSKDGYIXLMPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148022
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(cc2)C)cc1)C(=O)OCC	PC-id_19677007	482.661	ZRRQVZQEAKUHEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148023
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2c(cccc2)C)cc1)C(=O)OCC	PC-id_19677277	482.661	RXZNBHJCADATBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148024
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(Sc2ccccc2)cccc1)C(=O)OCC	PC-id_19677702	482.681	HOOWFJJYKAADHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148025
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(Sc2ccccc2)cccc1)C(=O)OC	PC-id_19677695	482.681	BXWPHBNPBXJKDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148026
CC([C@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(s1)C[NH+]1CCCCC1)NS(=O)(=O)C)C	GD-id_ZINC19770581	482.706	KMUSPGCMNBAMSP-OAQYLSRUSA-P	00000000100110000101000000000010000000000000000000000000	31-01-148027
CCC[C@@H]1CC[C@H](CC1)N(C(=O)Nc1nc2c(s1)CCN(CC2)Cc1ccccc1)CC(C)C	SCHEMBL12307365	482.724	CPAUXYOKGYJBRB-HCGLCNNCSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148028
s1c(NC(=O)N(C2CCC(CC2)CCC)CC(C)C)nc2c1CCN(CC2)Cc1ccccc1	PC-id_58440843	482.724	CPAUXYOKGYJBRB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148029
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OC)c1)OCC)c2)Cc1ccc(cc1)Cl	PC-id_20964808,CoCoCo_2544644,MCULE-1218384656,EMOLS-id_16324828	482.959	CURZLAPVPRHORP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148030
c12C(=O)N(CCCn1nc(C(=O)NCc1ccc(c(OCC)c1)OC)c2)Cc1ccc(cc1)Cl	EMOLS-id_32632888,PC-id_53086349,MCULE-6095576403	482.959	MKTJRGRGUDLAJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148031
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(c(OC)c1)OC)c2)Cc1ccc(cc1)Cl	CoCoCo_2544614,EMOLS-id_16324772,PC-id_20964780,MCULE-1290059001	482.959	FSDZPIHVGLBVIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148032
O=C(CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(Cl)cc2)CN1CCOCC1	PC-id_145511749	482.959	UKNIPEQACCYUII-UNOMPAQXSA-N	00000010100010100101000000001010000000000000000000000000	31-01-148033
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	MCULE-9779207207,PC-id_45183936,EMOLS-id_20458451	482.963	HFFXETZPEJKTDP-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-148034
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(C(=O)COc3ccc(cc3)Cl)CCn12	PC-id_45212024,ChEMBL-DNDi_CHEMBL45751509,MCULE-9946660488,EMOLS-id_20580649	482.963	OVOCCMOPVZFMOA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-148035
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	CoCoCo_1212041,CoCoCo_1212040,ZINC22_20207013,PC-id_28736030	482.963	HFFXETZPEJKTDP-JOCHJYFZSA-N	00000010100000101101000000001010000000000000000000000000	31-01-148036
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	ZINC22_20207017,CoCoCo_1212042,CoCoCo_1212043,PC-id_28736033	482.963	HFFXETZPEJKTDP-QFIPXVFZSA-N	00000010100000101101000000001010000000000000000000000000	31-01-148037
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)COc1ccc(Cl)cc1)CC2	CoCoCo_1389335,ZINC22_14993578,PC-id_26348822	482.963	OVOCCMOPVZFMOA-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-148038
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)COc1ccc(Cl)cc1)CC2	PC-id_26348823,ZINC22_14993580,CoCoCo_1389336	482.963	OVOCCMOPVZFMOA-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-148039
Clc1c(OCC(=O)N2CCn3c(nnc3CC2)C(NC(=O)c2ncccc2)C(C)C)cccc1	ChEMBL-DNDi_CHEMBL11251637,PC-id_45169763	482.963	XNDHCWUIZLEVAX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-148040
O=C(N1CCc2n(CC1)c(nn2)[C@H](C(C)C)NC(=O)c1ccccn1)COc1ccccc1Cl	CoCoCo_1128071	482.963	XNDHCWUIZLEVAX-QFIPXVFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-148041
O=C(N1CCc2n(CC1)c(nn2)[C@@H](C(C)C)NC(=O)c1ccccn1)COc1ccccc1Cl	CoCoCo_1128072	482.963	XNDHCWUIZLEVAX-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-148042
O=C(N[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1cc2OCOc2cc1Cl)C)CCc1ccccc1	GD-id_ZINC12158612	482.982	YSDGVTWSQILYSZ-QGZVFWFLSA-O	00000010100000110101000000001010000000000000000000000000	31-01-148043
Clc1cc2/C(=C/c3[nH]c4CCCN(C[C@@H](O)CN5CCCCC5)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL14212200,PC-id_71099986	483.002	RJRHJIMUDXSGDM-YNGKYYQNSA-N	00000010100010100100000000001010000000000000000000000000	31-01-148044
Clc1cc2C(=Cc3[nH]c4CCCN(CC(O)CN5CCCCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_78008511	483.002	RJRHJIMUDXSGDM-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-148045
CCOc1c(c(cc(c1)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1ccccc1)Cl)O	PC-id_137051421	483.022	KMPGMVBDUQWYPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148046
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Cl)c1O	ZINC22_408971735	483.022	KMPGMVBDUQWYPI-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-148047
Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)Nc1nc2CCCCCc2s1	MCULE-2806627826,EMOLS-id_323469386	483.027	YTKFFEYOLYHEKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148048
Clc1ccc(cc1)S(=O)(=O)Nc1nc(CC(=O)Nc2nc3CCCCCc3s2)cs1	MCULE-9287725583,EMOLS-id_323435600	483.027	DREUORNIDRVAJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148049
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c(OC)cc1OC	PC-id_19676077	483.044	ARSNSKZFLHDFFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148050
Clc1c(OC)cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c(OC)c1	PC-id_20411390	483.044	HHXNVLMQRZSOLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148051
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2c(CCN(CC2)C)c1)C(=O)NC	PC-id_77997473	483.047	JIAGARXIBBAYOX-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-148052
ClC1=CCC(S1)C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1sc2c(CCN(CC2)C)c1)C(=O)NC	SCHEMBL14045010,PC-id_71055956	483.047	JIAGARXIBBAYOX-CNYCQXTOSA-N	00000011100000000100000000000010000000000000000000000000	31-01-148053
c1(NC(=S)NC(=O)c2cc(ccc2Cl)SC)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC138081,CoCoCo_5837462,MCULE-2794763031,PC-id_1763741,ZINC22_2108574,EMOLS-id_5130015	483.067	DZTNYZKEOUFIIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148054
COC(=O)c1c(NC(=S)NC(=O)c2cc(SC)ccc2Cl)sc2c1CCCCCC2	STOCK4S-23191,TIMTEC273904,EMOLS-id_4575031,ZINC22_2381903,PC-id_1988654,MCULE-4486386738	483.067	KVBLFVLDNXCXOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148055
Clc1c(n(nc1C)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C	PC-id_20174750	483.09	MZDLNQSCNHQKNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148056
CC(C)CC(C(=O)CC1CC2=COC(=N2)CCCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_160927502	483.237	SSVIDCZTCLUVMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148057
CC(C)CC(C(=O)CC1CCC2=C(CCCNC(=O)C1=O)ON=C2)NC(=O)OCC3=CC=CC=C3	PC-id_161496362	483.237	WGGKBWZHTXGHGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148058
CC(C)CC(C(=O)CC1CCC2=NOC(=C2)CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_149221662	483.237	XIOOIOPMEBIYNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148059
Brc1oc(C(=O)Oc2c(OC)cc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cc1	CoCoCo_3721690,PC-id_6013090	483.315	ILEAFPGENNJSLS-RVDMUPIBSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148060
Brc1oc(C(=O)Oc2c(OC)cc(/C=C(c3n4CCCCCc4nn3)/C#N)cc2)cc1	CoCoCo_3721691,PC-id_75363121	483.315	ILEAFPGENNJSLS-PTNGSMBKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148061
Brc1oc(C(=O)Oc2c(OC)cc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_4113425,MCULE-8054544665,EMOLS-id_44489569	483.315	ILEAFPGENNJSLS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148062
Clc1cc(ccc1Cl)Cn1c(nc2c1C(CCCC2)C(C(=O)O)(C(=O)O)C(=O)O)C(C)C	PC-id_71205712,SCHEMBL14563192	483.342	UHAICCWKDHRLHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148064
CCOC(=O)CCNC(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl	PC-id_90460956,SCHEMBL16100293	483.345	RGRUOTAYUJDHTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148065
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(Br)ccc1OC)c2)Cc1ccccc1	EMOLS-id_16324644,PC-id_20964723,MCULE-2422358790,CoCoCo_2544521	483.358	MPJGQJRLUNQIDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148066
c1(NC(=O)CCC(=O)Nc2ccc(cc2C)I)sc2c(CCCCC2)n1	MCULE-3133667444,EMOLS-id_335150750	483.366	KKMVESLNTQEJDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148067
c1(NC(=O)CCC(=O)Nc2ccc(cc2I)C)sc2c(CCCCC2)n1	MCULE-1770196481,EMOLS-id_335101861	483.366	YCKLUALOHKLLMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148068
Brc1c2/C(=C/c3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)/C(=O)Nc2ccc1	PC-id_25115839,SCHEMBL3144593	483.401	PEGJIFLOIGIOHB-PEZBUJJGSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148069
Brc1c2C(=Cc3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)C(=O)Nc2ccc1	PC-id_68527802	483.401	PEGJIFLOIGIOHB-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148070
Brc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_25115836,SCHEMBL3136225	483.401	FFSYCTLMLOZKNQ-JXAWBTAJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148071
Brc1cc2C(=Cc3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68524818	483.401	FFSYCTLMLOZKNQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148072
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Br)C(=O)Nc1ccc(cc1)C	EMOLS-id_8221383,PC-id_4269225,ZINC22_8445667,MCULE-1199631854,TIMTEC36417,CoCoCo_1731161,SPECS-id_AG-667/37281038	483.421	OCXXFKKGFQHMGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148073
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1C	ZINC22_2940309,MCULE-2467075330,CoCoCo_730531,SPECS-id_AG-667/37281041,TIMTEC36420,EMOLS-id_2121311,PC-id_2265171	483.421	XGGCJAOMIGFXDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148074
C1CCCc2c(CC1)c(c(s2)N=Cc1c(ccc(c1)Br)O)C(=O)Nc1ccccc1	PC-id_137050248	483.421	ZAXWIRZOHMGNFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148075
C1CCCc2c(CC1)c(c(s2)N=Cc1cc(c(cc1)O)Br)C(=O)Nc1ccccc1	PC-id_137051402	483.421	IEJDMJZESAEYGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148076
O=C(Nc1ccccc1)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CCCCCC2	ZINC22_408964696	483.421	ZAXWIRZOHMGNFQ-CVKSISIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148077
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(O)c(Br)c2)sc2c1CCCCCC2	ZINC22_408971293	483.421	IEJDMJZESAEYGA-CVKSISIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148078
O=C(c1ccc(cc1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-])Nc1nnc(s1)C(F)(F)F	SCHEMBL14965868,PC-id_71570744	483.424	HCODSJFINZVTJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148079
C1CN(CCC1CN1CCn2cc(nc2OCC1)[N+](=O)[O-])C(=O)c1ccc(cc1)OC(F)(F)F	PC-id_89580216,SCHEMBL14965843	483.441	MKTYDTJGHHYGKU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148080
C1CN(CCC1CN1CCn2cc(nc2OCC1)[N+](=O)[O-])C(=O)c1cc(ccc1)OC(F)(F)F	SCHEMBL14966212,PC-id_89580487	483.441	DKFFHOBSHBIORL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148081
CCOC(=O)c1ccc2-c1ccc(cc2)Nc1c(F)cc(cc1F)N1C[C@@H](OC1=O)CNC(=O)C	PC-id_143554838	483.464	SPPMOEMFPVLPMT-SFHVURJKSA-N	00000010100000110111100000000010000000000000000000000000	31-01-148082
Brc1sc2c(c1)C(=O)N(CCS2)CCCC[NH+]1CCN(CC1)c1ncccn1	GLL_PC-id_19881101	483.469	KTAPSXHRJPQRGG-UHFFFAOYSA-O	00000000100010100101100000000010000000000000000000000000	31-01-148083
CSc1sc(cc1S(=O)C1=CCc2c(C(=C1)Br)n(cn2)CC1CC1)C(=N)N	PC-id_142834541	483.469	PDPYDLLGYGDCDW-UHFFFAOYSA-N	00100000100100000111000000000010000000000000000000000000	31-01-148084
CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)c1ccc(cc1)F	MCULE-1348625937,STOCK1S-82174,TIMTEC397397,EMOLS-id_4410572,PC-id_3267131	483.479	QDBLIYMRTDKIQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148085
CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)c1ccccc1F	MCULE-7997931843,PC-id_3846133,EMOLS-id_4404848,STOCK1S-71806	483.479	HSMXLNYOJPOUPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148086
CCOC(=O)[C@](NC(=O)c1ccccc1F)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	PC-id_1904242,ZINC22_2280144	483.479	HSMXLNYOJPOUPI-NRFANRHFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148087
CCOC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	PC-id_1904243,ZINC22_2280145	483.479	HSMXLNYOJPOUPI-OAQYLSRUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148088
CCOC(=O)[C@](NC(=O)c1ccc(F)cc1)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	ZINC22_2287030,CoCoCo_1743516,PC-id_1909415	483.479	QDBLIYMRTDKIQT-NRFANRHFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148089
CCOC(=O)[C@@](NC(=O)c1ccc(F)cc1)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	ZINC22_2287031,PC-id_1909416,CoCoCo_1743515	483.479	QDBLIYMRTDKIQT-OAQYLSRUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148090
CNSO[C@H](C(=O)O)CNC(=O)c1nn2c(c1)C(=O)N(CCC2)CCN1C(=O)CNCC1=O	PC-id_141815020	483.499	PYSNMFINNZFPSG-ZDUSSCGKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148091
COC(=O)c1cc(c2-c1ccccc2)C(=O)CN(CC(=O)c1cc(c2-c1ccccc2)C(=O)OC)C	PC-id_101134811	483.512	DJEOIIPXUIYSNV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-148092
COC(=O)[C@@H]1CC(=O)OC(C)(C)COCn2nnnc2CC[C@@H](C(=O)N[C@H](C(=O)N1)C(C)C)N	PC-id_71221845,SCHEMBL14628600	483.519	YZSXGRCSFKZCCS-XEZPLFJOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148093
O1C(COCn2nnnc2CCC(N)C(=O)NC(C(C)C)C(=O)NC(CC1=O)C(=O)OC)(C)C	PC-id_78040372	483.519	YZSXGRCSFKZCCS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148094
O=c1n2CCCCCc2nn1CC(=O)N(c1c(n(Cc2ccccc2)c(=O)[nH]c1=O)N)CCOC	PC-id_55477899	483.52	DMLJIFGEFVNFIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148095
s1c2c(CCCCC2)c(c1NC(=O)c1scc(Cn2nc(cc2)C(F)(F)F)c1)C(=O)OC	PC-id_19496812	483.527	FRMQSVXUEPPRDY-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148096
FC(F)(F)c1ccc(c2c(C(=O)N3CCN(CC3)Cc3n4CCCCCc4nn3)cccc2)cc1	PC-id_46571735	483.529	ULHZFZHJMLETKL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148097
CCNCCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)c(c2)NC(=O)C(O)C	SCHEMBL13480143,PC-id_70917173	483.535	SWJBZLZNLIMPOI-WJDWOHSUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148098
O(C(=O)C(CC([N+](=O)[O-])(CC1n2c(noc2=O)CCCC1)CCC(=O)O)C(C)(C)C)C(C)(C)C	PC-id_69898363	483.555	QONUQMOBEGIQRC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148116
COc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)c(OC)c1OC	ZINC22_14964977,CoCoCo_1452992,EMOLS-id_20623303,MCULE-7499710069,CoCoCo_1452991,PC-id_26324905	483.535	DXCABJRBJVHNCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148099
COc1cc(CN2CCn3c(CC2)nnc3CCNC(=O)Cc2ccc(cc2)F)cc(c1O)OC	ChEMBL-DNDi_CHEMBL19952510	483.535	OJTHGFLTMPVHSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148100
COc1cc(OC)c(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)c(OC)c1	PC-id_28389848,CoCoCo_1173068,EMOLS-id_20430341,MCULE-5204851529,ZINC22_19836488,CoCoCo_1173069	483.535	JBABWKGGVATZDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148101
COCC(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCNCC)/c2cc1F	PC-id_70917209,SCHEMBL13480272	483.535	VTZYXIMUXODYRY-WJDWOHSUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148102
COCC(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN(C)C)/c2cc1F	SCHEMBL3144454,PC-id_25115377	483.535	OOBMHUGNUYRRJU-WJDWOHSUSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148103
COCC(=O)Nc1cc2NC(=O)C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN(C)C)c2cc1F	SCHEMBL3144458,PC-id_68527757	483.535	OOBMHUGNUYRRJU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148104
Fc1cc2C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CCNCC)C(=O)Nc2cc1NC(=O)C(O)C	PC-id_77953839	483.535	SWJBZLZNLIMPOI-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148105
Fc1cc2C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CCNCC)C(=O)Nc2cc1NC(=O)COC	PC-id_77953857	483.535	VTZYXIMUXODYRY-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148106
CC(C(C(=O)NC1Cc2nnc(s2)CCNC(=O)C1=O)NS(=O)(=O)c1ccc(cc1)F)C	SCHEMBL21109873,PC-id_138730716	483.537	QRPSLTKXRXRBNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148107
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)CCC(F)(F)F)F	PC-id_138671378	483.539	RQEGSZHNNVVDBC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148108
FC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)CCC(F)(F)F)F	SCHEMBL21041761	483.539	RQEGSZHNNVVDBC-SHTZXODSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148109
CC(C[C@@H]1NC(=O)[C@@H](NC(=O)O)Cc2nnn(c2)CCNC(=O)CC[C@H](NC1=O)C(=O)S)C	PC-id_118988399	483.542	RXCWSAPYDCLRMY-IHRRRGAJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148110
s1c2c(CCCC2)c(c1NC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)C(=O)OC(C)C	PC-id_19523619	483.547	DOHWBTXITBCPJW-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-148111
s1c2c(CCCC2)c(c1NC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)C(=O)OCCC	PC-id_19523641	483.547	WJWNDSYEHPMKEQ-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-148112
s1c2CCCCCCCCCCc2nc1NC(=O)COc1cc(NC(=O)C(F)(F)F)ccc1	PC-id_30377205	483.547	UYWWKMBQKYTKPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148113
o1nc2n(C(CC([N+](=O)[O-])(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)CCCC2)c1=O	PC-id_9913173,SCHEMBL6797383	483.555	AXNUHLJXLBMUDB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148114
OC(=O)C(CC([N+](=O)[O-])(CC1n2c(noc2=O)CCCC1)CCC(=O)O)(C(C)(C)C)C(C)(C)C	PC-id_23500551,SCHEMBL6796642	483.555	VQNBTTACCKMWNE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148115
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)C#N	PC-id_41907274	483.555	FYNCLROCNLUGNO-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-148117
Fc1ccc2[nH]cc(CCN3C(=O)NC(CCC(=O)Nc4nc5CCCCCc5s4)C3=O)c2c1	EMOLS-id_323459406,MCULE-8819283473	483.558	QQHGCXMMGNZOPB-UHFFFAOYSA-N	00000010100000100101000001100010000000000000000000000000	31-01-148118
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccc(c(OC)c3OC)OC)CCn12	EMOLS-id_20471881,MCULE-5472404898,PC-id_45187093	483.56	DGECIZQHQXOEEG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148119
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3cc(OC)c(cc3OC)OC)CCn12	EMOLS-id_20411404,MCULE-5525337496,PC-id_45173070	483.56	CABXLIMZHMQHCU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148120
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3cc(OC)c(c(OC)c3)OC)CCn12	PC-id_45207431,EMOLS-id_20561031,ChEMBL-DNDi_CHEMBL40911715,MCULE-7294638676	483.56	PSRYHZJTRHVXHR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148121
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3c(OC)cc(cc3OC)OC)CCn12	PC-id_45174989,EMOLS-id_20419749,ChEMBL-DNDi_CHEMBL14365924,MCULE-1388707615	483.56	UVITVXWIXCXRBZ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148122
CC(CC(C(=O)NC1Cc2ccn(n2)CCCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138731237,SCHEMBL21110397	483.56	WTCSAFLLYAOTKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148123
CC(CC(C(=O)NC1Cc2cnc([nH]2)CCCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21110355,PC-id_138731195	483.56	TVJBXOIKAJJUPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148124
CC(CC(C(=O)NC1Cc2[nH]nc(c2)CCCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21109977,PC-id_138730819	483.56	XBYVNTFJUFRNRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148125
CC(CC(C(=O)NC1CCc2cnn(c2)CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730920,SCHEMBL21110078	483.56	ALVDNFBAEIOVRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148126
CC(CC(C(=O)NC1CCc2cn[nH]c2CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21109398,PC-id_138730246	483.56	BQRLNERVWJEUBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148127
CC(CC(C(=O)NC1CCc2n[nH]c(c2)CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21109523,PC-id_138730369	483.56	QNDPSOSQMYWZOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148128
CC(CC(C(=O)NC1CCCc2[nH]nc(c2)CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138731240,SCHEMBL21110400	483.56	VCQICUNRVIZULS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148129
CC(CC(C(=O)NC1CCCn2ncc(c2)CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21110330,PC-id_138731170	483.56	HRVWGZHCBKHTKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148130
COc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(OC)c1OC	CoCoCo_1231143,ZINC22_11814381,PC-id_42190902,CoCoCo_1231142	483.56	DGECIZQHQXOEEG-NRFANRHFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148131
COc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(OC)c1OC	ZINC22_11814382,CoCoCo_1231140,PC-id_42190904,CoCoCo_1231141	483.56	DGECIZQHQXOEEG-OAQYLSRUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148132
COc1cc(CN2CCc3n(CC2)c(nn3)[C@H](NC(=O)c2ccco2)CC(C)C)cc(c1O)OC	PC-id_42373335,CoCoCo_1180315,CoCoCo_1180316	483.56	KXAYSBMDYWGZCQ-GOSISDBHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148133
COc1cc(CN2CCc3n(CC2)c(nn3)[C@@H](NC(=O)c2ccco2)CC(C)C)cc(c1O)OC	PC-id_42373337,CoCoCo_1180317,CoCoCo_1180318	483.56	KXAYSBMDYWGZCQ-SFHVURJKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148134
COc1cc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc(OC)c1OC	CoCoCo_1359922,PC-id_42500945,ZINC22_12281536,CoCoCo_1359923	483.56	PSRYHZJTRHVXHR-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148135
COc1cc(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc(OC)c1OC	CoCoCo_1359924,PC-id_42500943,CoCoCo_1359925,ZINC22_12281535	483.56	PSRYHZJTRHVXHR-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148136
COc1cc(OC)c(CN2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(OC)c1	ZINC22_12164266,PC-id_42439467,CoCoCo_1158513,CoCoCo_1158514	483.56	UVITVXWIXCXRBZ-QHCPKHFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148137
COc1cc(OC)c(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(OC)c1	ZINC22_12164271,PC-id_42439473,CoCoCo_1158512,CoCoCo_1158511	483.56	UVITVXWIXCXRBZ-HSZRJFAPSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148138
COc1cc(OC)c(OC)cc1CN1CCc2nnc([C@@H](NC(=O)c3ccoc3)C(C)C)n2CC1	CoCoCo_1146898,ZINC22_12098827,PC-id_42406367,CoCoCo_1146897	483.56	CABXLIMZHMQHCU-QHCPKHFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148139
COc1cc(OC)c(OC)cc1CN1CCc2nnc([C@H](NC(=O)c3ccoc3)C(C)C)n2CC1	PC-id_42406369,CoCoCo_1146896,ZINC22_12098828,CoCoCo_1146895	483.56	CABXLIMZHMQHCU-HSZRJFAPSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148140
COCCN(CCC(=O)N1CCOCC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049628,EMOLS-id_25387104,MCULE-8248856731	483.56	VSLQYAURXMODKC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148141
O=C(NC(c1n2CCN(CCc2nn1)Cc1cc(OC)c(O)c(OC)c1)CC(C)C)c1occc1	PC-id_45178666	483.56	KXAYSBMDYWGZCQ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148142
O=C(NC(C(=O)NC1Cc2cn[nH]c2CCCCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730357,SCHEMBL21109511	483.56	FBBFUXLJVCMMQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148143
O=C(NC(C(=O)NC1CCc2cn[nH]c2CCCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110338,PC-id_138731178	483.56	TXOKAIIJNPBTSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148144
O=C(NC(C(=O)NC1CCCc2cn[nH]c2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730370,SCHEMBL21109524	483.56	ZBNHLVNAICJUJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148145
O=C(NC(C(=O)NC1CCCCc2[nH]ncc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109605,PC-id_138730450	483.56	OBDIDCFWGYOXHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148146
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1sc(NC(=O)c2occc2)cc1C)C#N	PC-id_46679240	483.56	WMLOIBWEXLTCPN-UHFFFAOYSA-N	00000000101100000100000000000010000000000000000000000000	31-01-148147
CCC(c1onc(c1)NC(=O)Nc1cccc2c1cc([nH]2)C(=O)c1[nH]c2c(c1)C(=CCC=C2)C)(C)C	SCHEMBL20762682,PC-id_137517032	483.562	AVYSLNXONAHILH-UHFFFAOYSA-N	00000000100000100111000001100010000000000000000000000000	31-01-148148
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)C1	MCULE-8736598527,PC-id_42945219,EMOLS-id_27394834	483.562	GOYJHTDYPBUVBX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-148149
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1	CoCoCo_4692572,ZINC22_22989929,PC-id_30766052	483.562	GOYJHTDYPBUVBX-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-148150
O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	ZINC22_22989928,CoCoCo_4692571,PC-id_30766051	483.562	GOYJHTDYPBUVBX-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-148151
CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCn2cc(CNC(=O)[C@@H](C)NC1=O)nn2	MCULE-7521520105,EMOLS-id_289962127	483.563	ZPBDKNNQTLTJCW-BSIFCXSSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148152
Cc1nnc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)F)sc4CC3)CC2)o1	BindingDB-id_989468,SCHEMBL21042415	483.575	GWZXPAHTYVENKG-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-148153
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1nnc(o1)C)F	PC-id_138671987	483.575	GWZXPAHTYVENKG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148154
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1noc(n1)C)F	PC-id_138671123	483.575	CUHSGPCDCUMJBI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148155
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1nonc1C)F	PC-id_138671203	483.575	TYLXVXDWTXWCTJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148156
FC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1noc(n1)C)F	SCHEMBL21041491	483.575	CUHSGPCDCUMJBI-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-148157
FC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1nonc1C)F	SCHEMBL21041575	483.575	TYLXVXDWTXWCTJ-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-148158
[Na+].S(=O)(=O)(c1c2-c(c(c1)CCCCNS(=O)(=O)c1ccccc1)ccc(cc2)C(C)C)[O-]	CHEMBL74674	483.576	MPHCOKCQIBAYTO-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-148159
[Na+].S(=O)(=O)(c1c2-c(c(c1)CCCCS(=O)(=O)Nc1ccccc1)ccc(cc2)C(C)C)[O-]	CHEMBL48013	483.576	WSNXTAYAGQHTLT-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-148160
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2ccc(N(CC)CC)cc2)C)cc(F)cc1	PC-id_74802134	483.577	OBXOTVBJWZGDLD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148161
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(N(CC)CC)cc2)C)cc(F)cc1	PC-id_42424164	483.577	OBXOTVBJWZGDLD-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148162
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(N(CC)CC)cc2)C)cc(F)cc1	PC-id_42424165	483.577	OBXOTVBJWZGDLD-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148163
Cc1ccccc1c1cccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)c1	EMOLS-id_20425433,CoCoCo_1166270,CoCoCo_1166271,PC-id_28313200,ZINC22_19745486,MCULE-2185901054	483.58	QUBJCJSSOGOUOU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148164
CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)C1=O	CoCoCo_2800837,PC-id_25701468,ZINC22_13072372	483.58	PDRYGMWNUSIWDO-RUZDIDTESA-N	00000010100000110101100000000010000000000000000000000000	31-01-148165
CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)C1=O	CoCoCo_2800838,PC-id_41259688,ZINC22_9884075	483.58	PDRYGMWNUSIWDO-VWLOTQADSA-N	00000010100000110101100000000010000000000000000000000000	31-01-148166
CCCC1(NC(=O)N(C1=O)CC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2)c1ccccc1	MCULE-9683744614,PC-id_16270220,EMOLS-id_11668396	483.58	PDRYGMWNUSIWDO-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-148167
CN(Cc1ccccc1)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1F	PC-id_134808677	483.58	KUFPDHIBEFDDGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148168
Fc1cccc(CC(=O)NCc2nnc3CCN(CC(c4ccccc4)c4ccccc4)CCn23)c1	ZINC22_12244599,EMOLS-id_20552267,CoCoCo_1346913,MCULE-7316795914,PC-id_42481910,CoCoCo_1346914	483.58	KOQJGUFORARGSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148169
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C#N	PC-id_51920397	483.58	MGIGEMJRYOYUFW-QFIPXVFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148170
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C(C)C)C#N	PC-id_51920398	483.58	MGIGEMJRYOYUFW-JOCHJYFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148171
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(NC(=O)c1ccc(OC)cc1)C(C)C)C#N	PC-id_45620268	483.58	MGIGEMJRYOYUFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148172
s1c2CCCCCc2c(c1NC(=O)COC(=O)CNC(=O)c1ccc(OCCCC)cc1)C#N	PC-id_24367519	483.58	MWFWORMXAQDMAI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148173
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc2[nH]cnc2cc1)CC)C(=O)OCC	PC-id_23972345	483.58	YMLGSVMAODGIRT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-148174
CC(Oc1cc(Oc2nc3c(s2)C(=O)N(CC(C3)(C)C)C)cc(c1)C(=O)Nc1ccn(n1)C)C	SCHEMBL2074102,PC-id_15953199	483.583	GBSZRWRPFPAZKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148175
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2nnc3n2CCCCC3)cc1	CoCoCo_4524793,EMOLS-id_24487169,MCULE-7378965002,PC-id_40117465,ZINC22_32882478	483.583	QYFRRKUXSZVRFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148176
COc1ccc(C(=O)N(C)Cc2nnc3n2CCCCC3)cc1S(=O)(=O)Nc1ccc(C)cc1	ZINC22_32865921,MCULE-3330844574,CoCoCo_4453009,EMOLS-id_25005143,PC-id_40100090	483.583	BKSWWSJOUDOEMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148177
O=C(c1occc1CS(=O)(=O)c1ccccc1)N1CCN(Cc2nnc3n2CCCCC3)CC1	EMOLS-id_44034524,ZINC22_22283489,PC-id_30177533,MCULE-1338983195	483.583	CDQDIOYTDOBJGU-UHFFFAOYSA-N	00000000101010110101000000000010000000000000000000000000	31-01-148178
s1c(N(C(=O)Cn2nc3n(CCCCC3)c2=O)CCc2ccccc2)nc(c1C)C(=O)OCC	PC-id_55583726	483.583	ZLAWAJHDJVXHTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148179
S(=O)(=O)(N(c1ccc(OCC(=O)NCc2n3CCCCCc3nn2)cc1)C)c1ccc(cc1)C	PC-id_24630497	483.583	MAHGTWYZSLGECP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148180
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cccnc3)C)CC2)ccc1)Cc1ccccc1	PC-id_42460166	483.585	CEVYFWSDPVYEGY-OAQYLSRUSA-O	00000000100000111101000000000010000000000000000000000000	31-01-148181
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cccnc3)C)CC2)ccc1)Cc1ccccc1	PC-id_42460172	483.585	CEVYFWSDPVYEGY-NRFANRHFSA-O	00000000100000111101000000000010000000000000000000000000	31-01-148182
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3cccnc3)C)CC2)ccc1)Cc1ccccc1	PC-id_74805291	483.585	CEVYFWSDPVYEGY-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-148183
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)c1ncn(c1)C	PC-id_75036247	483.585	CVBUJZAJFWGXPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148184
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1ncn(c1)C	CHEMBL1869409,PC-id_44505940	483.585	CVBUJZAJFWGXPC-XYJFISCASA-N	00000000100000000101000000000010000000000000000000000000	31-01-148185
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1ncn(c1)C	PC-id_44498135	483.585	CVBUJZAJFWGXPC-BQFCYCMXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148186
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1ncn(c1)C	PC-id_44505138	483.585	CVBUJZAJFWGXPC-NUJGCVRESA-N	00000000100000000101000000000010000000000000000000000000	31-01-148187
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1ncn(c1)C	PC-id_44505348	483.585	CVBUJZAJFWGXPC-RYRKJORJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148188
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1ncn(c1)C	PC-id_44505729	483.585	CVBUJZAJFWGXPC-JFIYKMOQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148189
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1ncn(c1)C	PC-id_44505934	483.585	CVBUJZAJFWGXPC-LZLYRXPVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148190
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1ncn(c1)C	PC-id_44505936	483.585	CVBUJZAJFWGXPC-SOLBZPMBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148191
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1ncn(c1)C	PC-id_44505937	483.585	CVBUJZAJFWGXPC-JZXOWHBKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148192
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C)c1ncn(c1)C	PC-id_44483906	483.585	XRGVJRBSJVDRTA-LZLYRXPVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148193
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C)c1ncn(c1)C	PC-id_44488149	483.585	XRGVJRBSJVDRTA-JZXOWHBKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148194
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C)c1ncn(c1)C	PC-id_44488150	483.585	XRGVJRBSJVDRTA-BQFCYCMXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148195
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1ncn(c1)C	PC-id_44489264	483.585	XRGVJRBSJVDRTA-JFIYKMOQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148196
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@H](CO)C)c2)C)c1ncn(c1)C	PC-id_44489802	483.585	XRGVJRBSJVDRTA-SOLBZPMBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148197
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@H](CO)C)c2)C)c1ncn(c1)C	PC-id_44490865	483.585	XRGVJRBSJVDRTA-RYRKJORJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148198
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C)c1ncn(c1)C	PC-id_44491444	483.585	XRGVJRBSJVDRTA-XYJFISCASA-N	00000000100000000101000000000010000000000000000000000000	31-01-148199
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1ncn(c1)C	PC-id_44492050	483.585	XRGVJRBSJVDRTA-NUJGCVRESA-N	00000000100000000101000000000010000000000000000000000000	31-01-148200
CCCN(C(=O)CSc1nnc2n1CCCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	PC-id_16319620,MCULE-3656876322,CoCoCo_3081842,EMOLS-id_11751684,CoCoCo_3081841,ZINC22_8861857	483.586	JBHPCZJTOKYVKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148201
CCCN1CC/C(=NO)/c2c(C1=O)n(CCCC[N@@H+]1CC[C@H](CC1)C(=O)c1ccc(cc1)F)cc2	GLL_PC-id_10576772	483.598	STMXDZNNDHMSMW-RMLRFSFXSA-O	00000000100010110100000000000010000000000000000000000000	31-01-148202
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)C(=O)OC	PC-id_55763195	483.6	DEPJTXSYNPSRKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148203
s1c2c(CCCCC2)c(c1NC(=O)c1cc(CS(=O)(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_55777453	483.6	FDRZBOSVVNVKSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148204
N#Cc1c(NC(=O)CCN2CCN(CC(=O)Nc3cccc(F)c3)CC2)sc2c1CCCCC2	CoCoCo_3952408,ZINC22_22799870,EMOLS-id_11758580,PC-id_16324363,CoCoCo_3952407,MCULE-5322878788	483.601	IEKSLJJTOKSRCV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148205
N#Cc1c(NC(=O)CCN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)sc2c1CCCCC2	PC-id_16323376,EMOLS-id_43929330,ZINC22_22799900,CoCoCo_3953105,MCULE-4289447465,CoCoCo_3953104	483.601	SNFURNZGOGCZCN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148206
c1(NC(=S)NC(=O)c2c(C)onc2c2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_4517270,ZINC22_2215956,PC-id_1848724,MCULE-3682488902,STOCK3S-59853	483.603	OUBICBOPAZZGQC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148207
CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C(=O)N	EMOLS-id_4948547,PC-id_4681892,MCULE-1178150404,ZINC22_9404731,CoCoCo_5015394	483.603	NBRZZSANHJEJQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148208
C(NC(=O)CCN(CCOC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)CC(C)C	MCULE-9550650024,EMOLS-id_25387954,PC-id_46049625	483.603	HOBQQVZDQQGJNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148209
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)N(c2ccccc2)C)ccc1)C(=O)N	PC-id_55334336	483.603	VNLSSRBOMZSDEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148210
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)C=Cc1ccccc1)C(=O)OCC	PC-id_4325779	483.603	VTDVQPXMGVYNRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148211
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)/C=C/c1ccccc1)C(=O)OCC	PC-id_6070044	483.603	VTDVQPXMGVYNRX-BUHFOSPRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148212
s1c2CCCCCc2nc1NC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(=O)C)cc1	PC-id_24611791	483.603	UOWSICFERVYVTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148213
S(=O)(=O)(N1CCc2c1cccc2)c1cc(c(OC)cc1)C(=O)Nc1sc2CCCCCc2n1	PC-id_24603968	483.603	LRFDYJDPDLNGQF-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-148214
O=C(c1ccoc1)NC(c1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1C)C(C)C	MCULE-4679417810,EMOLS-id_20408434,ChEMBL-DNDi_CHEMBL12783595,PC-id_45172352	483.605	YUIXXYJNRSJNPB-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-148215
O=C(c1ccoc1)N[C@@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1C)C(C)C	CoCoCo_1142995,CoCoCo_1142994,PC-id_28309288	483.605	YUIXXYJNRSJNPB-HHHXNRCGSA-N	00000000101000110101100000000010000000000000000000000000	31-01-148216
O=C(c1ccoc1)N[C@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1C)C(C)C	CoCoCo_1142997,CoCoCo_1142996,PC-id_28309289	483.605	YUIXXYJNRSJNPB-MHZLTWQESA-N	00000000101000110101100000000010000000000000000000000000	31-01-148217
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCNCCCNC(=O)Cn1nc(C)n2	EMOLS-id_317511802,MCULE-7193229070,PC-id_137337164	483.606	HNGGFBVGTVIROB-OFNKIYASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148218
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)nnc1c1ccccn1	EMOLS-id_4162460,GD-id_ZINC20220624,MCULE-6267078604,TIMTEC263088,PC-id_17381540,ZINC22_20220624,CoCoCo_6837631	483.606	KJCNTLZDQFFXDC-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-148219
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)CSc2n(ccn2)C)cc1	PC-id_26927777	483.606	IFWWABAFVIZPGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148220
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(N)c(c(C(C)C)c2c1N)C#N)C(=O)OC	PC-id_23914249	483.606	OEMFUAJNMNGUDU-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-148221
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1occc1)C#N	PC-id_19724064	483.606	PYQCDXVKTRTQJK-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-148222
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cccnc1)CC=C)C(=O)OC	PC-id_20126876	483.606	WSOHLQPBSYKGND-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-148223
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccncc1)CC=C)C(=O)OC	PC-id_20126957	483.606	NZQFWWDSUBQAAE-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-148224
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)C)C#N	PC-id_19730904	483.606	VILLQRAEBAJPJM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148225
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)C)C#N	PC-id_19633282	483.606	BTCDTDSQOWPQHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148226
S1CCN(CCCCN2CCN(CC2)c2cc(ccc2)C(F)(F)F)C(=O)c2c1sc(c2)C	PC-id_19881035	483.613	XGLMNQUXGKUJMQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148227
CCCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1ccc(cc2)C(C)C	PC-id_10458000,CHEMBL355196	483.62	VTLXHLBBBHSDOW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148228
CCCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1cccc(c2)C(C)C	PC-id_10480449,CHEMBL167796	483.62	RXNSPLFCLVSXFH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148229
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C#CC(=O)O[C@@H](C2)/C=C(C)/C=C/C=C/CO)/C)C)c1	PC-id_73055577	483.62	UIKYNCBNDFRZHQ-PJIAANQISA-N	00000000100000000111000000000010000000000000000000000000	31-01-148230
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(c1)CCC)cccc(c2)C(C)C	PC-id_10323037	483.62	YZPHVTSEDQUMPH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148231
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(c1)CCC)ccc(C(C)C)cc2	PC-id_11755053	483.62	SBYTWHBCWZSYFP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148232
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(C(C)C)c1)ccc(C(C)C)cc2	PC-id_9982763	483.62	RPABCWXDJSGNLN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148233
COc1ccc(cc1)NC(=O)c1c(NC(=O)C2CCN(CC2)C(=O)C)sc2c1CCCCCC2	GD-id_ZINC20437810	483.623	QPXFCAFWNIFOAQ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-148234
COc1ccccc1NC(=O)c1c(NC(=O)C2CCN(CC2)C(=O)C)sc2c1CCCCCC2	GD-id_ZINC20437923	483.623	VHSCUUMCCITCMZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-148235
O=C1Nc2c(/C/1=C/c1[nH]c3c(c1CCCN1CCOCC1)CCCCC3)cc(cc2)S(=O)(=O)C	SCHEMBL6697574,PC-id_60113714	483.623	QHKDKRDEWJVWRN-XLNRJJMWSA-N	00000010100010100101000000001010000000000000000000000000	31-01-148236
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(cc1)C(=O)C)C(=O)OCC	PC-id_22197417	483.623	JFAPVAATMAXHRG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148237
s1c2CCCCCCc2cc1C(=O)NNC(=O)C1CCN(CC1)C(=O)CCOc1ccccc1	PC-id_55856166	483.623	WWIMDXDWCQBIMA-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-148238
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc(cc1)C(=O)C)C(=O)OC	PC-id_22197376	483.623	QTQIGRHVQCWCLJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148239
S(=O)(=O)(c1cc2C(=Cc3[nH]c4c(c3CCCN3CCOCC3)CCCCC4)C(=O)Nc2cc1)C	PC-id_72651807	483.623	QHKDKRDEWJVWRN-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-148240
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1	CoCoCo_4254411,ZINC22_12789679,PC-id_25513192,EMOLS-id_43986154,MCULE-2383765063	483.625	HJZQOYAHJIJXSX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148241
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC(C)C)c(nn1)c1c(F)cccc1)C#N	PC-id_4025959	483.625	SBUFZYSRLUJSSY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148242
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3ccc(cc3)OCc3ccccc3)CCn12	EMOLS-id_20725645,PC-id_45246878,ChEMBL-DNDi_CHEMBL90319173,MCULE-2622040269	483.626	BSVOQAHSVMMOHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148243
c1(C(C(C)C)NS(=O)(=O)C)nnc2CCN(Cc3cccc(c3)OCc3ccccc3)CCn12	PC-id_45175566,ChEMBL-DNDi_CHEMBL14735336,EMOLS-id_20422319,MCULE-1144405166	483.626	IBSJWIWCFLZKCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148244
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cccc(OCc3ccccc3)c1)CC2	PC-id_42449110,CoCoCo_1161869,CoCoCo_1161868,ZINC22_12183054	483.626	IBSJWIWCFLZKCK-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-148245
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1cccc(OCc3ccccc3)c1)CC2	ZINC22_12183057,CoCoCo_1161871,PC-id_42449112,CoCoCo_1161870	483.626	IBSJWIWCFLZKCK-DEOSSOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148246
CC(C)[C@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2	CoCoCo_1610063,PC-id_26356186,ZINC22_15000393,CoCoCo_1610064	483.626	BSVOQAHSVMMOHJ-DEOSSOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148247
CC(C)[C@@H](NS(=O)(=O)C)c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2	ZINC22_15000390,CoCoCo_1610062,PC-id_26356182,CoCoCo_1610061	483.626	BSVOQAHSVMMOHJ-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-148248
s1c2CCCCCCc2c(c1NC(=O)CSC1NC([O-])C(Cc2ccccc2)C(=O)N1)C#N	PC-id_75674382	483.626	GABMVSLLVMIVRK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148249
C1CN(CC1N)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)Nc1cccc(c1)Cc1ccccc1	PC-id_89125906	483.628	CKXTZILMEPZBGI-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-148250
C1CN(CCN1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)Nc1cccc(c1)Cc1ccccc1	PC-id_89125884	483.628	JSMWDITWCJLVMW-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-148251
NC1CCN(C1)C(=O)c1cc2c(s1)/C=CC/C=NC(=N/C2)Nc1cccc(c1)Cc1ccccc1	SCHEMBL13591940	483.628	CKXTZILMEPZBGI-ILMPMTHRSA-N	00000010100000110111000000000010000000000000000000000000	31-01-148252
O=C(c1cc2c(s1)/C=CC/C=NC(=N/C2)Nc1cccc(c1)Cc1ccccc1)N1CCNCC1	SCHEMBL13591904	483.628	JSMWDITWCJLVMW-LXQWRGRWSA-N	00000000100010110111000000000010000000000000000000000000	31-01-148253
CCCCCCCCCCC1(CCCCCCCCCC)COc2c(OC1)c[se]c2	PC-id_101793492	483.629	FIQUCQSGJQZPRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148254
Fc1ccc(cc1)CN1CCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2	SCHEMBL13764833,PC-id_70990458	483.641	UTOIANMUHXOLMW-JOCHJYFZSA-N	00000010100010110100000000000010000000000000000000000000	31-01-148255
s1c2c(c(c1NC(=O)C1N(CCC1)Cc1ccc(F)cc1)C(=O)N1CCCCC1)CCCCC2	PC-id_77964407	483.641	UTOIANMUHXOLMW-UHFFFAOYSA-N	00000010100010110100000000000010000000000000000000000000	31-01-148256
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1c(c(cc(c1)C)C)C)C(=O)OC	PC-id_19489049	483.643	JLAHIEJTNICAHW-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-148257
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1c(cc(cc1C)C)C)C(=O)OC	PC-id_19501182	483.643	DRIFXWSSWMPWNA-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-148258
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc2CCCc2cc1C#N)C(=O)OCC	PC-id_24084205	483.646	MLQRLTZMPULUGY-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148259
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2cc(ccc2)C)cn1)C(=O)OCC	PC-id_20178435	483.649	BCCHLEBBUMLEGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148260
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(cc2)C)cn1)C(=O)OCC	PC-id_20178880	483.649	WTKLAPDLRCKKFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148261
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2c(cccc2)C)cn1)C(=O)OCC	PC-id_20179243	483.649	SLQMJJKXHUXBDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148262
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C(C)C)C	PC-id_74498571	483.649	GIOZVHNLCUMFLH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148263
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C(C)C)C	PC-id_26342600	483.649	GIOZVHNLCUMFLH-XMMPIXPASA-O	00000000100000110101000000000010000000000000000000000000	31-01-148264
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C(C)C)C	PC-id_26342605	483.649	GIOZVHNLCUMFLH-DEOSSOPVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148265
CCCCCCCCCCCCOC(=O)C1CCCCn2c1cc(c2C(=O)c1ccccc1F)C	PC-id_70535979,SCHEMBL11200991	483.658	LMKHLYYTVRCGNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148266
Cc1ccc(cc1)/C(=C/NS(=O)(=O)c1ccc(cc1)C)/c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102367279	483.664	VPOLEHYQOHPWOH-FSGOGVSDSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148267
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3c(C)n(C)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_408970080	483.668	ADJLZMRBSWWXPN-FDAWAROLSA-N	00000000100000110100000001100010000000000000000000000000	31-01-148268
Cc1cccc(c1)CC1=NN=C(C1)C(=C)C1NC(=C(C1C)C)CN1C(=C)CN=C(c2c1ccs2)C	PC-id_141907056	483.671	PHRMFDKYUGVMTA-UHFFFAOYSA-N	00000011100000110111000000000010000000000000000000000000	31-01-148269
C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9726753,PC-id_41188625,CoCoCo_4183736	483.672	WJPSZBYBUQZLSC-AWEZNQCLSA-N	00100000100100000101100000000010000000000000000000000000	31-01-148270
C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9726757,PC-id_41188627,CoCoCo_4183735	483.672	WJPSZBYBUQZLSC-CQSZACIVSA-N	00100000100100000101100000000010000000000000000000000000	31-01-148271
N#Cc1c(NC(=O)C(Sc2nnc(n2C2CC2)Cc2cccs2)C)sc2c1CCCCC2	PC-id_16328092,MCULE-7502493016,EMOLS-id_11764094	483.672	WJPSZBYBUQZLSC-UHFFFAOYSA-N	00100000100100000101100000000010000000000000000000000000	31-01-148272
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC=C)C#N	PC-id_19718732	483.672	YUSWWMNKYZRMFM-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148273
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC=C)C#N	PC-id_19721030	483.672	PBKDKVUHHYQNGK-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148274
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC=C)C#N	PC-id_19717858	483.672	OKBIJCBRKSTSNS-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148275
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)CC=C)C#N	PC-id_17269456	483.672	QFXLTZXTVAFSMJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148276
O1C(c2n(nc(n2)C(OCCOCCOCCOCC1)C)CCCCCCCCCCCC)C	PC-id_14871674	483.684	DQDDOSKHFHBRAH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148277
O1[C@H](c2n(nc(n2)[C@@H](OCCOCCOCCOCC1)C)CCCCCCCCCCCC)C	PC-id_14871675	483.684	DQDDOSKHFHBRAH-ZEQRLZLVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148278
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)C/C=C/c1ccccc1)C(=O)OCC	PC-id_19655414	483.689	KQRYXKAUHFKWPK-FMIVXFBMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148279
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)CC=Cc1ccccc1)C(=O)OCC	PC-id_73630928	483.689	KQRYXKAUHFKWPK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148280
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)C/C=C/c1ccccc1)C(=O)OC	PC-id_19655407	483.689	RQHDUUQJCMCGOQ-FMIVXFBMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148281
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)CC=Cc1ccccc1)C(=O)OC	PC-id_73630921	483.689	RQHDUUQJCMCGOQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148282
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)CC=C)C#N	PC-id_20125990	483.692	DLYXCBRQJZGVPB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148283
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)CC=C)C#N	PC-id_20128589	483.692	ZTQIFTNWZKYMMK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148284
CC(CN1CCC(CC1)C(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C)C	SCHEMBL20837809,PC-id_138489578	483.709	KPTYMFXZBAUXTP-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-148285
CC(CN1CCC(CC1)[C@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C)C	SCHEMBL19564557	483.709	KPTYMFXZBAUXTP-HXUWFJFHSA-N	00000000100010101100000000000010000000000000000000000000	31-01-148286
O=C1N(CCCc2c1c(C)c(s2)CC1CCN(CC1)CC(C)(C)C)Cc1c(C)cc([nH]c1=O)C	SCHEMBL19564549	483.709	WTKJZVMRLPKIDF-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-148287
OCCCN1C(=O)C(C)Cc2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)OC	PC-id_144762275	483.944	MCJIPXMJCHFNAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148288
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	MCULE-9011712934,EMOLS-id_20460329,PC-id_45184371	483.947	ICFUVFWPMNTJDP-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-148289
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	CoCoCo_1500907,EMOLS-id_20654707,MCULE-5870199007,PC-id_42498892,ZINC22_12278786,CoCoCo_1500906,ChEMBL-DNDi_CHEMBL66249156	483.947	DGRDNCQOKXHYID-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-148290
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2cc4c(cc2Cl)OCO4)CC3)c1	CoCoCo_1214591,ZINC22_20208300,PC-id_28737080,CoCoCo_1214590	483.947	ICFUVFWPMNTJDP-HNNXBMFYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-148291
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2cc4c(cc2Cl)OCO4)CC3)c1	PC-id_28737083,ZINC22_20208304,CoCoCo_1214589,CoCoCo_1214588	483.947	ICFUVFWPMNTJDP-OAHLLOKOSA-N	00000010100000110101000000001010000000000000000000000000	31-01-148292
Clc1c(nc(n2nc(cc2C)C)cc1)C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_55305302	483.97	SHFODJPIBQBTAJ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-148293
CC([C@H](c1nnc2n1CC[N@@H+](CC2)Cc1cc2OCOc2cc1Cl)NC(=O)c1ccccn1)C	PC-id_42340504,GD-id_ZINC11995701	483.971	HFFXETZPEJKTDP-JOCHJYFZSA-O	00000010100000101101000000001010000000000000000000000000	31-01-148294
CC([C@@H](c1nnc2n1CC[N@H+](CC2)Cc1cc2OCOc2cc1Cl)NC(=O)c1ccccn1)C	PC-id_42340505,GD-id_ZINC11995702	483.971	HFFXETZPEJKTDP-QFIPXVFZSA-O	00000010100000101101000000001010000000000000000000000000	31-01-148295
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3ncccc3)C(C)C)CC2)cc2OCOc2c1	PC-id_74844172	483.971	HFFXETZPEJKTDP-UHFFFAOYSA-O	00000010100000101101000000001010000000000000000000000000	31-01-148296
Clc1ccc(cc1)CN1CCc2c(/C(=C/c3ccccc3)/C1=O)n(cn2)COCc1ccccc1	PC-id_145972557	483.989	ONCYWPPCQSJAAI-ONUIUJJFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148297
Clc1sc(C(=O)NC2CC(OC(=O)O)N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_77947781	483.989	NWPFMYYLNXRLHX-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-148298
Clc1sc(C(=O)N[C@@H]2C[C@H](OC(=O)O)N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_70893698,SCHEMBL13372868	483.989	NWPFMYYLNXRLHX-PXAZEXFGSA-N	00000010100100000100000000000010000000000000000000000000	31-01-148299
Clc1ccccc1c1ccc(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)o1	CoCoCo_1262471,CoCoCo_1262470,ZINC22_20599598,MCULE-1883991268,PC-id_29086262,EMOLS-id_20493903	483.99	VMQKXWUQOZYDEG-UHFFFAOYSA-N	00000000101010110101100000000010000000000000000000000000	31-01-148300
Clc1cccc(c1)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)o1	ZINC22_14960603,CoCoCo_1444412,PC-id_26322121,MCULE-5818136683,CoCoCo_1444411,EMOLS-id_20617547	483.99	IBJTWUUIWHDTCT-UHFFFAOYSA-N	00000000101010110101100000000010000000000000000000000000	31-01-148301
c1(NC(=O)c2cccc(COc3ccc(cc3)Cl)c2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_1763674,TIMTEC336508,MCULE-1952760152,SPECS-id_AK-968/41024512,EMOLS-id_5129955,ZINC22_2108507,CoCoCo_1859573	484.007	NNBXGZOASTXTKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148302
COc1ccc(cc1)c1csc(n1)Cc1c2-c(c(c1C)C(=O)c1ccc(cc1)Cl)ccccc2	PC-id_139814850	484.008	YPCVUKQVAZFPDJ-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-148303
O=C(C1=NC=CCCc2c1n(C)nc2NC(=C1CC1)CC(C)(C)C)NCc1ccc(c(c1)Cl)F	PC-id_143346472	484.009	XVTOEWRZKHADKG-UHFFFAOYSA-N	00100000100000110111000000000010000000000000000000000000	31-01-148304
c1(NC(=O)CCC(=O)Nc2ccc(cc2)OCc2ccc(cc2)Cl)sc2c(CCCCC2)n1	EMOLS-id_335112367,MCULE-3436580229	484.01	SJMBMGVFFJMAFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148305
Clc1sc(c2oc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)cc1	PC-id_3310383	484.012	VKMOQJGAUDGOLI-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148306
Clc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_41319599	484.029	ASLSTMLNETUAGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148307
Clc1c(cc(S(=O)(=O)N(CC)CC)cc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_29911351	484.032	KZCBVJPFNSUICN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148308
Clc1c(cc(S(=O)(=O)N(C(C)C)C)cc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_46808846	484.032	HMNFQVAJWJLXMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148309
Clc1c(S(=O)(=O)N(CC)CC)cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_55334315	484.032	HLGNGGHLXUCISX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148310
Clc1c(S(=O)(=O)NC(C)(C)C)cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_55334357	484.032	UWXKKMZLWNWOMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148311
Clc1sc(C(=O)NC2C(OC)CN(C2)C(=O)c2sc3c(C(OC)CN(CC3)C)c2)cc1	SCHEMBL3312667,PC-id_68591982	484.032	JHJDYDJWNNRSRF-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-148312
Clc1sc(C(=O)N[C@H]2C(OC)CN(C2)C(=O)c2sc3c(C(OC)CN(CC3)C)c2)cc1	PC-id_68591983,SCHEMBL3312668	484.032	JHJDYDJWNNRSRF-WLYUNCDWSA-N	00000010100100000100000000000010000000000000000000000000	31-01-148313
Clc1sc(OC(=O)NC2CC(N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)COC)cc1	PC-id_77947767	484.032	CRZXDCGAAGHIRN-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-148314
Clc1sc(OC(=O)NC2CC(N(C2)C(=O)c2sc3c(C(CN(CC3)C)C)c2)CO)cc1	PC-id_77947782	484.032	BGPMYFOALAGPNG-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-148315
Clc1sc(OC(=O)NC2C(OC)CN(C2)C(=O)c2sc3C(CN(CCc3c2)C)C)cc1	SCHEMBL4435127,PC-id_69042974	484.032	XIQXLSWTNGYDGE-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-148316
Clc1sc(OC(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)COC)cc1	PC-id_70893661,SCHEMBL13372818	484.032	CRZXDCGAAGHIRN-CABCVRRESA-N	00000010100100000100000000000010000000000000000000000000	31-01-148317
Clc1sc(OC(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(C(CN(CC3)C)C)c2)CO)cc1	PC-id_70893700,SCHEMBL13372870	484.032	BGPMYFOALAGPNG-IUZLNWEFSA-N	00000010100100000100000000000010000000000000000000000000	31-01-148318
O=C(CSc1nnc2n1CCCCC2)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	CoCoCo_3082121,EMOLS-id_11711621,ZINC22_13110084,PC-id_16293329,MCULE-4819898119	484.035	UDPQVMKVWTZFRN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148319
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccc(Cl)cc1	ZINC22_9632596,PC-id_3966798,CoCoCo_3053432,MCULE-8358569393,EMOLS-id_3475994	484.037	PMIAZBNMPBIOSY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148320
Clc1c(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)cccc1	PC-id_19728274	484.037	ZORJZDDFZVNGHU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148321
Clc1cc(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)ccc1	PC-id_19728577	484.037	XLDFUHNCCZHPKI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148322
CC(c1ccccc1)NS(=O)(=O)C=Cc1n[nH]c2c1CCCCCC2Cc1cc(ccc1)Cl	PC-id_91112541	484.053	OUVFWLRKXNSWIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148323
Clc1cc(CC2CCCCc3c2n(nc3C=CS(=O)(=O)NC(c2ccccc2)C)C)ccc1	PC-id_78034849	484.053	DDTFNKAUTVRPPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148324
Clc1cc(CC2CCCCc3c2n(nc3/C=C/S(=O)(=O)N[C@H](c2ccccc2)C)C)ccc1	SCHEMBL14548039,PC-id_71201289	484.053	DDTFNKAUTVRPPQ-XKFIIDRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-148325
Clc1cc(CC2CCCCCc3c2[nH]nc3/C=C/S(=O)(=O)N[C@H](c2ccccc2)C)ccc1	SCHEMBL13011098,PC-id_24966138	484.053	OUVFWLRKXNSWIN-XKFIIDRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-148326
Clc1cccc(c1)CC1CCCCCc2c1[nH]nc2C(=C)S(=O)(=O)N[C@H](c1ccccc1)C	PC-id_142701357	484.053	GCBVCTZISZTDIU-HXBUSHRASA-N	00000000100000110101000000000010000000000000000000000000	31-01-148327
Clc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1sc2CCCCCc2c1C#N	ZINC22_10186903,PC-id_18581508,MCULE-3712066736,CoCoCo_5174784,EMOLS-id_5605609	484.055	BHSYDQPJDCNUGP-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-148328
Clc1sc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C#N)cc1	PC-id_44027707	484.055	IRTHBOOUVRNIPE-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-148329
Clc1sc(S(=O)(=O)N2C(CCCC2)C(=O)Nc2sc3c(CCCCC3)c2C#N)cc1	PC-id_44028876	484.055	YKSFLTQDVKMWMN-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-148330
CCN1NCC(C)(C)CNc2c(C1=O)c(Sc1ccncc1)n(c2C)Cc1ccc(cc1)Cl	PC-id_144007099	484.057	FLQDTKVUQQRYEW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-148331
C1CCc2noc(=O)n2[C@H](C1)[I-]/C=C/C[C@@H](C(=O)OCc1ccccc1)N	PC-id_163927153	484.074	NNSNBLVSFLTIBE-MOQVKRNWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148332
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2C(CN(CCc2c1)C)C)COC	PC-id_77997463	484.075	UUBMSSUBJIHZRS-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-148333
ClC1=CCC(S1)C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1sc2C(CN(CCc2c1)C)C)COC	PC-id_71055939,SCHEMBL14044979	484.075	UUBMSSUBJIHZRS-YTWPKEEVSA-N	00000011100000000100000000000010000000000000000000000000	31-01-148334
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@@](C=C)(C(F)(F)F)O)C#N	PC-id_161731958	484.103	LHUWMKWXGJJOID-BEFAXECRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148335
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@](C=C)(C(F)(F)F)O)C#N	PC-id_161731959	484.103	LHUWMKWXGJJOID-DNVCBOLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148336
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@@](C=C)(C(F)(F)F)O)C#N	PC-id_161731960	484.103	LHUWMKWXGJJOID-KXBFYZLASA-N	00000000100000110101000000000010000000000000000000000000	31-01-148337
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@](C=C)(C(F)(F)F)O)C#N	PC-id_161731961	484.103	LHUWMKWXGJJOID-HNAYVOBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148338
CC1=C(N2CCCC=CC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155278660	484.119	RYXNMCMEPXPNJW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-148339
CC(C)C1C(=O)O[C@@H](CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N1)(C)C)/C=C/CCCl	PC-id_155259136	484.155	AICDVJSPJFCXOC-CNVWRUTCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148340
CCCCN1C(C(=O)N(C2=C(C1=O)N(C(=N2)OC3=CC(=CC=C3)F)CC4=CC=C(C=C4)Cl)C)C	PC-id_161833183	484.168	NFAGJTNTMSFKGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148341
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)CC2CC3=NC(=CS3)CCCCNC(=O)C2=O	PC-id_161558475	484.203	WOBDEJRAIKIKOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148342
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)CC2CCC3=NC=C(S3)CCCNC(=O)C2=O	PC-id_160393381	484.203	QEKKTFMNFMZYEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148343
CC1=CC2=C(C(=CC(C=C2N1)F)OC3=NC=NC(=C3F)NC4=CCC(C=C4)N5CCN(CC5)C)F	PC-id_149081922	484.22	QQMMRPSFNDPTBK-UHFFFAOYSA-N	00000000100011100111100000000010000000000000000000000000	31-01-148344
CN1C=CC2=CCC=C(C=C21)/C=C/C=C/C(/C=C/C3CC(=C(C=C3)OCC4=NC=CCC=C4)F)NN	PC-id_155000638	484.264	OBAPNEDXJJXVLE-VOZJZDIRSA-N	00000000100011000110000000000010000000000000000000000000	31-01-148345
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)C(=O)N(C)C	PC-id_155171329	484.269	OAOHRTNCUKXLNE-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148346
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=CC(=C3)C(=O)N(C)C	PC-id_155171403	484.269	YAIZXDQDUHIZSB-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148347
CC(C)OCCC(C)(C)CC(C)(C)NC(=O)c1ccc(cc1)COC1CCCCCc2n[nH]nc12	PC-id_164136745	484.341	YSQOWWGFOMXXAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148348
CC(=C)CC(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)Br)C(=O)OC(C)(C)C	PC-id_89192060	484.387	RLLZRBIFPVYAFF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148349
CNC(=O)[C@@H](NC(=O)c1nc(n2c1CN(CCC2)C(=O)OC(C)(C)C)Br)CC(=C)C	SCHEMBL13878397	484.387	RLLZRBIFPVYAFF-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148350
Brc1ccc(cc1)c1csc(n1)Cc1cc(c2-c1ccccc2)C(=O)c1ccccc1	PC-id_139814860	484.407	WBAAFRPGDHQVIF-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-148351
Brc1ccc(NCc2[n+]3c(n(n2)CC(=O)c2ccc(OCC)cc2)CCCCC3)cc1	PC-id_33780010,GD-id_ZINC26509023,CoCoCo_5902039	484.409	GCMXRJHJAOEZMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148352
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccco1)Nc1sc2c(CCCCC2)c1C(=O)OC	CoCoCo_6890124,MCULE-5956835860,ZINC22_721267,SPECS-id_AG-389/14049004,PC-id_1046728,EMOLS-id_8219310	484.413	INGMCCWSRFDOTR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-148353
CC(C1CCc2c(S(=O)(=O)N1)c[nH]c2C(=O)Nc1cc(F)c(c(c1)F)F)NCC(F)(F)F	SCHEMBL18357763	484.416	OKTLPCLIMMPEMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148354
Brc1cc2/C(=C/c3[nH]c4c(c3CCCN3CCOCC3)CCCCC4)/C(=O)Nc2cc1	SCHEMBL6694880,PC-id_10254742	484.429	RMXXKTOZTSDXGN-PGMHBOJBSA-N	00000010100010100101000000001010000000000000000000000000	31-01-148355
C1CCc2c(CC1)[nH]c(c2CCCN1CCOCC1)C=C1c2c(ccc(c2)Br)NC1=O	PC-id_90993557	484.429	RMXXKTOZTSDXGN-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-148356
Brc1c(cc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1sc2CCCCCc2n1	PC-id_26158127	484.43	RDHUFOPUZPWARL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-148357
Brc1c(cc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56021465	484.43	DZLFVWFHDHVTSG-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-148358
Brc1sc(C(=O)NC(C(=O)NNC(=O)c2sc3CCCCCCc3c2)C)cc1	PC-id_60491900	484.43	DTPHYWBYRLCHCD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-148359
Brc1sc(C(=O)N(CC(=O)NNC(=O)c2sc3CCCCCCc3c2)C)cc1	PC-id_60494277	484.43	OKBKSMOIJJTKLT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-148360
c1(c2CCCCCc2sc1NC(=O)CCCOc1ccc(cc1Cl)Cl)C(=O)OC(C)C	EMOLS-id_4162798,PC-id_4171792,MCULE-1767944918,ZINC22_20549819,TIMTEC303654,CoCoCo_1739959	484.436	MCPCIQMZNTZITG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148361
c1(NC(=O)CCCOc2ccc(cc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-3335225129,CoCoCo_5816863,ZINC22_8430348,EMOLS-id_4162796,SPECS-id_AK-968/12116132,PC-id_4380727,TIMTEC430573	484.436	ROFJQHCWIBQVOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148362
Clc1c(OCCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc(Cl)c1	PC-id_4146940	484.436	VJBJRYZTMWTJHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148363
[3H]C1CCc2csc(n2)C[C@@H](/C=C(/Br)C)OC(=O)/C=CC=C(C[C@@H](OC(=O)C1)C)/C	PC-id_141679021	484.439	ZGSQXOIKUQMEKS-GCWDUPPZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-148364
Clc1c(C(=O)NC(CCSC)C(=O)NCCc2n3CCCCCc3nn2)ccc(Cl)c1	PC-id_55534604	484.442	XJHVDMBDUCHCOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148365
BrC(=CC1OC(=O)CCC=C(CC(OC(=O)CCCCc2nc(sc2)C1)C)C)C	PC-id_72259765	484.447	CUGYCQCBKCNRNU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-148366
Br/C(=C/[C@H]1OC(=O)CC/C=C(/C[C@@H](OC(=O)CCCCc2nc(sc2)C1)C)C)/C	SCHEMBL12779417,PC-id_59343219	484.447	CUGYCQCBKCNRNU-RLGXHKCQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-148367
CC1CC(=CC=CC(=O)OC(Cc2nc(cs2)CCCCCOO1)C=C(C)Br)C	PC-id_89059028	484.447	JQWPVNDMGGIDEI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-148368
C/C(=CC1OC(=O)/C=CC=C(/C)CC(C)OOCCCCCc2nc(C1)sc2)/Br	SCHEMBL13315696	484.447	JQWPVNDMGGIDEI-HOBTXGGQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-148369
O=C1CC/C=C(C)/CC(C)OC(=O)CCCCc2nc(CC(O1)/C=C(/Br)C)sc2	SCHEMBL12844905	484.447	CUGYCQCBKCNRNU-QGHKEMITSA-N	00000000100000000111000000000010000000000000000000000000	31-01-148370
Cc1onc(c1)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C	SCHEMBL18352808	484.449	XDDKHHLYWSWUHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148371
ClC1=CC=C(CC1)Cn1nc(c2c1C(CCCC2)Cc1ccc(cc1)Cl)C(=O)NC1CCC1	PC-id_145479765	484.461	SBRLSLAETRLMRO-UHFFFAOYSA-N	00001000100011110101000000000010000000000000000000000000	31-01-148372
ClC1=CC=C(CC1)Cn1nc(c2c1C(CCCC2)Cc1cccc(c1)Cl)C(=O)NC1CCC1	PC-id_145479785	484.461	KNXIPNSPJXUHTG-UHFFFAOYSA-N	00001000100011110101000000000010000000000000000000000000	31-01-148373
CCC1=C(C(=O)NC(C)C)c2c(C(CN1C(=O)c1ccc(c(c1)F)F)(C)C)[nH]nc2C(F)(F)F	SCHEMBL19659093	484.462	VWDGKYRFERBAIP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-148374
CCC1=C(C(=O)NC(C)C)c2[nH]nc(c2C(CN1C(=O)c1ccc(c(c1)F)F)(C)C)C(F)(F)F	SCHEMBL19659356	484.462	VTPUJDQXALBTOJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-148375
FC(F)(F)c1[nH]c2cc(C(NC(=O)Cn3nc4n(CCCCC4)c3=O)c3ccccc3)ccc2n1	PC-id_55561449	484.474	URBTUTVWARZGOD-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-148376
OC(Nc1ccc(cn1)C(F)(F)F)CCNC(=O)c1nc2c(n1Cc1cccnc1)C=CCC=C2	PC-id_143645134	484.474	HQQVTUBZFFVFFZ-UHFFFAOYSA-N	00000000100000101111000000000010000000000000000000000000	31-01-148377
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)Cn1nc(oc1=O)c1ccc(F)cc1)C)C#N	PC-id_55423832	484.5	WHIAKOZAWVNAEO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148378
FC1CN(C1)CCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367439	484.502	MWAFXMMLFVHOIQ-IBGZPJMESA-N	00001000100000110101000000000010000000000000000000000000	31-01-148379
FC1CN(C1)CCc1nn2c(c1)N(C)C(=O)[C@@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367440	484.502	MWAFXMMLFVHOIQ-LJQANCHMSA-N	00001000100000110101000000000010000000000000000000000000	31-01-148380
O=C1C(CCn2c(N1C)cc(n2)CN1CCC(C1)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18366742	484.502	QQIYPZCZGGQYLU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-148381
O=C1[C@@H](CCn2c(N1C)cc(n2)CCN1CC(C1)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367443	484.502	ZJFBQMFDIDSIAI-GOSISDBHSA-N	00001000100000110101000000000010000000000000000000000000	31-01-148382
O=C1[C@H](CCn2c(N1C)cc(n2)CCN1CC(C1)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367444	484.502	ZJFBQMFDIDSIAI-SFHVURJKSA-N	00001000100000110101000000000010000000000000000000000000	31-01-148383
O=C1[C@H](CCn2c(N1C)cc(n2)CN1CCC(C1)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367321	484.502	QQIYPZCZGGQYLU-SFHVURJKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-148384
COC(=O)c1c(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	PC-id_5210914,MCULE-6793952297,ZINC22_13075088,EMOLS-id_11670916,CoCoCo_2803245	484.522	NAJAEMKUHJRYKQ-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148385
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)N2CCN(CC2)C(=O)C)cc1	PC-id_46049555	484.523	HGVSNLSPINDHOL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148386
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)N2CCN(CC2)C(=O)C)C)cc1	PC-id_42854942	484.523	HUMGCLWARRPENP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148387
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)N2CCN(CC2)C(=O)C)C)cc1	PC-id_46159884	484.523	PSNRNHUPOHQHGQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148388
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(N2CCOCC2)ccc([N+](=O)[O-])c1)C#N	PC-id_24373713	484.525	ZOTGESXOVMBYFM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148389
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1)C)C)C#N	PC-id_55935323	484.525	LORCNYXXDYSGEV-LSLKUGRBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148390
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C(NC(=O)c1cc([N+](=O)[O-])ccc1)C)C)C#N	PC-id_76271823	484.525	LORCNYXXDYSGEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148391
N#C/C(=c/1s/c(=C/c2cccc(c2)[N+](=O)[O-])/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609822	484.53	AZPAPBIFEJULED-LQPBJRFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148392
N#C/C(=c
/s/c(=C/c2cccc(c2)[N+](=O)[O-])/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609823	484.53	AZPAPBIFEJULED-UCMJAKSHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148393
N#C/C(=c
/s/c(=C/c2ccccc2[N+](=O)[O-])/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609843,CoCoCo_3609842	484.53	UKDRWXLTIGOZKE-BNYBFYJRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148394
N#CC(=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1c1ccccc1)c1nnc2n1CCCCC2	EMOLS-id_300278866,MCULE-3822223306,PC-id_4390364	484.53	UKDRWXLTIGOZKE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148395
N#CC(=c1sc(=Cc2cccc(c2)[N+](=O)[O-])c(=O)n1c1ccccc1)c1nnc2n1CCCCC2	MCULE-5612067422,PC-id_5079150,EMOLS-id_300278610	484.53	AZPAPBIFEJULED-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148396
N#C/C(=c
/s/c(=Cc2ccccc2[N+](=O)[O-])/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	PC-id_2309306,CoCoCo_3609840,ZINC22_12488548	484.53	UKDRWXLTIGOZKE-VEESZLCBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148397
N#C/C(=c/1s/c(=Cc2ccccc2[N+](=O)[O-])/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	PC-id_2309308,CoCoCo_3609841	484.53	UKDRWXLTIGOZKE-YKPAIDDGSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148398
N#C/C(=c/1s/c(=Cc2cccc(c2)[N+](=O)[O-])/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	PC-id_2311359,CoCoCo_3609821	484.53	AZPAPBIFEJULED-DDJQOXGASA-N	00000000100000110101100000000010000000000000000000000000	31-01-148399
N#C/C(=c
/s/c(=Cc2cccc([N+](=O)[O-])c2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	PC-id_2311357,CoCoCo_3609820,ZINC22_3173129	484.53	AZPAPBIFEJULED-BBMOIHPLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148400
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1cc([N+](=O)[O-])ccc1)c1ccccc1	PC-id_2311360	484.53	AZPAPBIFEJULED-KCUSKQSCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148401
Ic1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc([N+](=O)[O-])cc1	PC-id_55684409	485.296	XZWVNCFIEOLDLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148564
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1c([N+](=O)[O-])cccc1)c1ccccc1	PC-id_75362170	484.53	UKDRWXLTIGOZKE-GAFDXXDJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148402
CCS(=O)(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20695082,PC-id_86270341	484.535	ORANYKIFWLAXAP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148403
Cn1c2c(CN(CCC2)S(=O)(=O)C)c(n1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20696130,PC-id_86268145	484.535	RDXZHBHKDBEBLT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148404
CC1C#CC(=c2c(=C1OC)c(c[nH]2)C(=O)C(=O)N1CCC(=C(C#CCO)c2ccccc2)CC1)OC	SCHEMBL15494330,PC-id_89985606	484.543	NOALRPPEWKPWSV-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-148405
Fc1cc(CC(=O)NCc2n3CC[NH+](CCc3nn2)Cc2c(OC)cc(OC)cc2OC)ccc1	PC-id_42366653	484.543	JBABWKGGVATZDP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148406
CC(CC(C(=O)NC1Cc2coc(n2)CCCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730686,SCHEMBL21109843	484.545	ADUCPNXFYUSVPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148407
CC(CC(C(=O)NC1CCc2noc(c2)CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21111051,PC-id_138731824	484.545	CNRGVLHBNOCXNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148408
CC(CC(C(=O)NC1CCCc2noc(c2)CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21109539,PC-id_138730385	484.545	MFIYOFQOTBLMQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148409
O=C(NC(C(=O)NC1Cc2ncoc2CCCCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110334,PC-id_138731174	484.545	QNYUTRGUYFVIGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148410
O=C(NC(C(=O)NC1CCCc2cnoc2CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731241,SCHEMBL21110401	484.545	MXCCZTKRXAJNSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148411
Cc1ccc(C(C)C)c(OCc2nn3c([n+]2CC(=O)c2ccc(OC(F)F)cc2)CCCCC3)c1	MCULE-7198117621,PC-id_5201911,ZINC22_2597890	484.558	JSRWEFHJQOTPLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148412
Cc1ccc(C(C)C)c(OCc2n[n+](CC(=O)c3ccc(OC(F)F)cc3)c3n2CCCCC3)c1	GD-id_ZINC15953369,MCULE-7118917459,EMOLS-id_300427719,ChEMBL-DNDi_CHEMBL1622482,ZINC22_15953369,CoCoCo_5015679,PC-id_3506873	484.558	MCMGEFIWNQJGNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148413
CN=C1N(C)NC(C)(C)CNc2c1c(Nc1ccccc1)n(c2C)Cc1ccc(cc1)C(F)(F)F	PC-id_144007125	484.56	FLGNMYIIDWIKHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148414
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)CN1CCOCC1)F)C	SCHEMBL19702835	484.563	WVPOWPKJGZEVSR-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-148415
O=CNc1ccc(cc1/C(=C/c1[nH]c2c(c1C)C(=O)N(CCC2)CC(CN1CCOCC1)O)/C)F	PC-id_144230010	484.563	IMWBUYUOHUUZQT-SFQUDFHCSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148416
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1c2ncoc2ccc1)CC)C(=O)OCC	PC-id_24164336	484.565	PWTUMRWGCHZMKB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-148417
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ncoc2cc1)CC)C(=O)OCC	PC-id_24000225	484.565	VITVJFBXFQKLNJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-148418
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1cc2ocnc2cc1)CC)C(=O)OCC	PC-id_23774318	484.565	QTKKYURFMJFHPP-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-148419
CC(NC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1)C(=O)NCCN1CCCCC1	MCULE-2306673119,PC-id_46049510,EMOLS-id_25387926	484.566	DRGNOUGIJSGIIJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148420
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)CCC(=O)N1CCN(CC1)C	EMOLS-id_25386846,MCULE-4922059594,PC-id_46049545	484.566	DXYNLPQMCZQTHK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148421
CN(CC(=O)NCCN1CCCCC1)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	EMOLS-id_25387086,PC-id_46049523,MCULE-2284622280	484.566	FIWVORIAFCPLEB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148422
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCCN2CCCCC2)cc1	MCULE-6632236867,PC-id_46049551,EMOLS-id_25387242	484.566	UZAYCBBERMMXRS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148423
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)NCCN1CCCCC1	PC-id_92986862	484.566	DRGNOUGIJSGIIJ-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148424
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)NCCN1CCCCC1	PC-id_92986863	484.566	DRGNOUGIJSGIIJ-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148425
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ccoc3)C(C)C)CC2)cc(OC)c1OC)C	PC-id_42500942	484.568	PSRYHZJTRHVXHR-QFIPXVFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148426
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3ccoc3)C(C)C)CC2)cc(OC)c1OC)C	PC-id_42500944	484.568	PSRYHZJTRHVXHR-JOCHJYFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148427
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)cc(OC)c1O)C	PC-id_42373334	484.568	KXAYSBMDYWGZCQ-GOSISDBHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148428
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)cc(OC)c1O)C	PC-id_42373336	484.568	KXAYSBMDYWGZCQ-SFHVURJKSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148429
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3ccoc3)C(C)C)CC2)cc(OC)c1OC)C	PC-id_74808224	484.568	PSRYHZJTRHVXHR-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148430
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)cc(OC)c1O)C	PC-id_74800450	484.568	KXAYSBMDYWGZCQ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148431
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ccoc3)C(C)C)CC2)ccc(OC)c1OC)C	PC-id_42190901	484.568	DGECIZQHQXOEEG-NRFANRHFSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148432
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3ccoc3)C(C)C)CC2)ccc(OC)c1OC)C	PC-id_42190903	484.568	DGECIZQHQXOEEG-OAQYLSRUSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148433
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ccoc3)C(C)C)CC2)cc(OC)c(OC)c1)C	PC-id_42406366	484.568	CABXLIMZHMQHCU-QHCPKHFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148434
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3ccoc3)C(C)C)CC2)cc(OC)c(OC)c1)C	PC-id_42406368	484.568	CABXLIMZHMQHCU-HSZRJFAPSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148435
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ccoc3)C(C)C)CC2)c(OC)cc(OC)c1)C	PC-id_42439466	484.568	UVITVXWIXCXRBZ-QHCPKHFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148436
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3ccoc3)C(C)C)CC2)c(OC)cc(OC)c1)C	PC-id_42439472	484.568	UVITVXWIXCXRBZ-HSZRJFAPSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148437
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3ccoc3)C(C)C)CC2)ccc(OC)c1OC)C	PC-id_74777647	484.568	DGECIZQHQXOEEG-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148438
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3ccoc3)C(C)C)CC2)cc(OC)c(OC)c1)C	PC-id_74801033	484.568	CABXLIMZHMQHCU-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148439
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3ccoc3)C(C)C)CC2)c(OC)cc(OC)c1)C	PC-id_74803606	484.568	UVITVXWIXCXRBZ-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148440
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1onc(n1)c1cc(OC)c(OC)cc1	PC-id_24503161	484.568	CZWFOPYRKORDQO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148441
N1(CCc2c3ccccc3[nH]c2)C(=O)c2c(cc(cc2)C(=O)Nc2sc3c(CCCCC3)n2)C1=O	EMOLS-id_323432802,MCULE-6281433099	484.569	XUTMAXDDBCGBON-UHFFFAOYSA-N	00000010100000100101000001101010000000000000000000000000	31-01-148442
O1C(C(O)C(O)C(O)C1CO)c1c(ccc(c1)Cc1c(c2-c(c1)ccccc2)Cc1ccccc1)C	PC-id_72423642	484.583	OGHGQVBKVPXIMP-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-148443
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(ccc(c1)Cc1c(c2-c(c1)ccccc2)Cc1ccccc1)C	SCHEMBL14590091,PC-id_58786155	484.583	OGHGQVBKVPXIMP-SAEUYMBFSA-N	00000010100010110110100000000010000000000000000000000000	31-01-148444
CCc1cc(c2-c1c(OC)ccc(c2)C(C)C)S(=O)(=O)NCCc1ccc(cc1)OCC(=O)[O-]	GD-id_ZINC13826259	484.584	JBWPLKNOWBVBNE-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-148445
CC(=O)C1(CCN(CC1)CCOc1ccc(cc1)Oc1nc2c(o1)C=CC=CC2)Cc1ccccc1	PC-id_142996966	484.586	BMZGUWAYUWIPOS-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-148446
Fc1cc(CC(=O)NCc2n3CC[NH+](CCc3nn2)Cc2cc(ccc2)c2c(cccc2)C)ccc1	PC-id_42167386	484.588	QUBJCJSSOGOUOU-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-148447
Fc1cc(CC(=O)NCc2n3CC[NH+](CC(c4ccccc4)c4ccccc4)CCc3nn2)ccc1	PC-id_42481909	484.588	KOQJGUFORARGSL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148448
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2occc2)ccc1)C(=O)OC	PC-id_18910328	484.588	BJTZFQXLWDAYET-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-148449
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)COc3ccc(cc3)C(=O)C)CCn12	EMOLS-id_20568369,PC-id_45209133,MCULE-8631218464	484.591	IKRDQEIIQBLTAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148450
CCC1N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](c2oc1nn2)C)Cc1ccccc1	PC-id_122164890,SCHEMBL18652917	484.591	FHQMEJIOTNHWOK-RSZITWISSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148451
CC(=O)c1ccc(OCC(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1	CoCoCo_1370592,PC-id_26342894,ZINC22_14988357	484.591	IKRDQEIIQBLTAJ-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148452
CC(=O)c1ccc(OCC(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1	CoCoCo_1370593,ZINC22_14988362,PC-id_26342899	484.591	IKRDQEIIQBLTAJ-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148453
COCCN(CCC(=O)NCCN(C)C)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-1085784831,PC-id_46049622,EMOLS-id_25387268	484.591	KLBCZAIIXQBCEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148454
O[C@H]1CN([C@@H](C1)C(=O)NCc1noc2c1CCCCC2)C(=O)[C@H](C(C)(C)C)n1nnc(c1)C1CC1	PC-id_146151009	484.591	QAKVRPJUDLBEEO-QGCDCVKKSA-N	00100010100000000101100000000010000000000000000000000000	31-01-148455
O=C(Nc1sc2c(c1C(=O)NNc1ccccc1)CCCCC2)NS(=O)(=O)c1ccccc1	PC-id_45112455,CHEMBL574217	484.591	WWQYCYSNJIRQOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148456
s1c2CCCCCc2c(c1NC(=O)C(Sc1oc(nn1)c1c(OC)cc(OC)cc1)C)C#N	PC-id_24500613	484.591	VWCCNYBOWVGTRB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148457
Cc1cc(c(o1)C)C(=O)NCc1nnc2n1CCN(CC2)Cc1ccc(cc1)N(c1ccccc1)C	PC-id_42432031,CoCoCo_1428234,CoCoCo_1428235	484.593	URUBGVQFPLYLDK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148458
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(CCC(=O)N)c(nn1)c1occc1)C)C#N	PC-id_24630934	484.594	GWYVKFDNTIMQET-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-148459
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)CCC(=O)N)Cc1occc1)C#N	PC-id_31045280	484.594	FLYKNYUUWIVYHD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-148460
C[C@H]1CCCCO[C@H]([C@@H](CNC(=O)c2c(O1)ccs2)C)N(S(=O)(=O)c1ccc(cc1)F)C	SCHEMBL13465492,PC-id_70912113	484.604	QZLDFBCUSOTKME-ZMPRRUGASA-N	00000000100000110101000000000010000000000000000000000000	31-01-148461
S(=O)(=O)(N(C1OCCCCC(Oc2c(scc2)C(=O)NCC1C)C)C)c1ccc(F)cc1	PC-id_77952280	484.604	QZLDFBCUSOTKME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148462
c12C(=O)OCc1c(c(OC)c(CC=C(C)CCC(=O)Nc1sc3c(CCCCC3)n1)c2OC)C	CNP0315230,MCULE-9622976137,PC-id_71826717	484.608	BPFLAEIGKXEXGZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-148463
COc1c2C(=O)OCc2c(C)c(OC)c1C/C=C(C)/CCC(=O)Nc1nc2CCCCCc2s1	STOCK1N-81011,PC-id_75464672,EMOLS-id_48559508,EMOLS-id_317479198,ZINC22_96114744	484.608	BPFLAEIGKXEXGZ-XNTDXEJSSA-N	00000010100000100101000000001010000000000000000000000000	31-01-148464
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC[NH+](CC1)CC(=O)Nc1ccc(F)cc1)C#N	PC-id_30635469	484.609	SNFURNZGOGCZCN-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-148465
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC[NH+](CC1)CC(=O)Nc1cc(F)ccc1)C#N	PC-id_30635440	484.609	IEKSLJJTOKSRCV-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-148466
CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OCC	ZINC22_9487206,CoCoCo_3587474,PC-id_16286307,MCULE-4721105359,CoCoCo_3587473,EMOLS-id_48935819	484.611	ILDLQFDOYSHWNW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148467
O=C1Nc2c(/C/1=C/c1[nH]c3c(c1CCCN1CCOCC1)CCCCC3)cc(cc2)S(=O)(=O)N	PC-id_60113745,SCHEMBL6701453	484.611	QHNQFWCPZKEEES-PGMHBOJBSA-N	00000010100010100101000000001010000000000000000000000000	31-01-148468
s1c2c(CCCCC2)cc1C(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CCCOC	PC-id_74269485	484.611	RLMMFZYSQJRUHE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148469
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CCOC	PC-id_76858229	484.611	WAPXFSSSKPPQGN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148470
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(CCOC)C(=O)NC1=O)N)Cc1ccccc1	PC-id_76858081	484.611	YSULGWADTPBUDK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148471
S(=O)(=O)(N)c1cc2C(=Cc3[nH]c4c(c3CCCN3CCOCC3)CCCCC4)C(=O)Nc2cc1	PC-id_72651833	484.611	QHNQFWCPZKEEES-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-148472
O=C(N1CCCC(c2c1ccs2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1n1cccc1	PC-id_139709949	484.613	HYWGHFSNXWIPIP-UHFFFAOYSA-N	00000000110000110100100000000010000000000000000000000000	31-01-148473
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C(C)C)c1ccoc1	PC-id_74793821	484.613	YUIXXYJNRSJNPB-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-148474
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C(C)C)c1ccoc1	PC-id_42382782	484.613	YUIXXYJNRSJNPB-HHHXNRCGSA-O	00000000101000110101100000000010000000000000000000000000	31-01-148475
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C(C)C)c1ccoc1	PC-id_42382784	484.613	YUIXXYJNRSJNPB-MHZLTWQESA-O	00000000101000110101100000000010000000000000000000000000	31-01-148476
O=C(Nc1nc2CCCCCc2s1)c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1	EMOLS-id_323440976,MCULE-4726877606	484.614	FNCJNFYHDYXAKL-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-148477
CC(c1ccc2-c(cc1)c(cc2C#Cc1cc2-c(c1)ccccc2)C#Cc1cc2-c(c1)ccccc2)(C)C	PC-id_102338052	484.629	LITNMXBETKFJPW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-148478
CC(c1ccc2-c(cc1)c(cc2C#Cc1ccc2-c1ccccc2)C#Cc1ccc2-c1ccccc2)(C)C	PC-id_101578416	484.629	CQWQGVKLMSMYGH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-148479
s1c(CN(CCN(Cc2scc3OCCOCCOc23)C)C)c2OCCOCCOc2c1	PC-id_10961924	484.629	WATTYERTSJSQDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148480
c1(CN(C)C(=O)CCC2(CCC(=O)N2)Cc2ccc(cc2)c2ccccc2)c2CCCCCc2[nH]n1	PC-id_45224783,EMOLS-id_20634387,MCULE-2310023694	484.632	XRJSSGZSOVYIQH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-148481
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)cc2	PC-id_20085230,SCHEMBL6988888	484.632	OQMDGILONHKUQL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148482
CN(Cc1n[nH]c2c1CCCCC2)C(=O)CC[C@]1(Cc2ccc(c3ccccc3)cc2)CCC(=O)N1	CoCoCo_1470101,PC-id_42431663,CoCoCo_1470103,ZINC22_12151374	484.632	XRJSSGZSOVYIQH-PMERELPUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-148483
CN(Cc1n[nH]c2c1CCCCC2)C(=O)CC[C@@]1(Cc2ccc(c3ccccc3)cc2)CCC(=O)N1	PC-id_42431662,CoCoCo_1470102,ZINC22_12151373,CoCoCo_1470100	484.632	XRJSSGZSOVYIQH-SSEXGKCCSA-N	00000010100000110101100000000010000000000000000000000000	31-01-148484
COc1cc(ccc1OCc1c(C)cc(cc1C)C(C)(C)C)C=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_26092943,PC-id_5104618,MCULE-8028975509	484.632	HPCKRHGABCLPKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148485
COc1cc(ccc1OCc1c(C)cc(cc1C)C(C)(C)C)/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_6271343,CoCoCo_3456428	484.632	HPCKRHGABCLPKA-XQNSMLJCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148486
COc1cc(ccc1OCc1c(C)cc(cc1C)C(C)(C)C)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_75460360,CoCoCo_3456429	484.632	HPCKRHGABCLPKA-KQWNVCNZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148487
O=C1CCN(C(=O)c2c1ccn2CCCCCN1CCN(CC1)c1ccccc1)Cc1ccccc1	PC-id_15229179,SCHEMBL6988196	484.632	RWMROZWZQDEYBA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148488
CC([C@@H](c1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)OCc1ccccc1)NS(=O)(=O)C)C	PC-id_26356185,GD-id_ZINC15000393	484.634	BSVOQAHSVMMOHJ-DEOSSOPVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148489
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c2ccc(cc2)C)c(nn1)C)C(=O)OCC	PC-id_19644245	484.634	XRGXXIADKPQVIU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148490
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccccc1)C(=O)OCC	PC-id_19727988	484.634	ZRRURAALCKXEQX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148491
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC)C(=O)OC	PC-id_17301556	484.634	MUNZHKJJZAEHDM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148492
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC)C(=O)OC	PC-id_19729830	484.634	MFAAHCKLVBJBII-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148493
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC)C(=O)OC	PC-id_19730204	484.634	VHXWPVJMLCAXFX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148494
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)C)C(=O)OCC	PC-id_17268634	484.634	YCJTXHSKROMQLT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148495
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)C)C(=O)OCC	PC-id_19729808	484.634	LKSGHLIHGORPDW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148496
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)C)C(=O)OCC	PC-id_19730183	484.634	PGVCGSPJPUJTHV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148497
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC)C(=O)OC	PC-id_20123589	484.634	OGYQFNYJZFGKTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148498
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)C)C(=O)OCC	PC-id_20123571	484.634	LPNRWAGXHCYUBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148499
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)C)C(=O)OC	PC-id_20124376	484.634	WBQVBYFATLYZGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148500
s1c2c(CCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1cc(OC)ccc1)C(=O)OCC	PC-id_20172801	484.634	IZXFGFKNBCQMBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148501
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(n(c1=O)c1ccccc1)C)C)C(=O)OCC	PC-id_19687088	484.634	WEAYFGDZUAQLFL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148502
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c2ccc(cc2)C)c(nn1)C)C(=O)OC	PC-id_19644216	484.634	WPFKPRFLEHFFLA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148503
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccccc1)C(=O)OC	PC-id_19727961	484.634	WGPIPCLRWLLOQL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148504
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)C)C(=O)OC	PC-id_17301484	484.634	VFLLNHPBJOITOG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148505
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)C)C(=O)OC	PC-id_19729977	484.634	OCWGWVWFVZWDKP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148506
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)C)C(=O)OC	PC-id_19730152	484.634	BEPCQCRIILJTRT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148507
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)C)C(=O)OC	PC-id_17268114	484.634	WWNZKAUEHBXPFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148508
s1c2CCCCCCc2c(c1NC(=O)CSC1NC(O)C(Cc2ccccc2)C(=O)N1)C#N	PC-id_75674383	484.634	DYKOLNPVXMEMJH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148509
Ic1cn(nc1[N+](=O)[O-])CC(=O)Nc1sc2CCCCCCc2c1C#N	PC-id_1008956	485.299	YMQROLZASGNFPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148565
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1cc(OC)ccc1)C(=O)OC	PC-id_20172794	484.634	OTCYBTRBYDTCRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148510
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(n(c1=O)c1ccccc1)C)C)C(=O)OC	PC-id_19687085	484.634	GHEWEHSCSXWXQG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148511
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(OCc2ccccc2)cc1)C(C)C)C	PC-id_74501432	484.634	BSVOQAHSVMMOHJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148512
S(=O)(=O)(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(OCc2ccccc2)ccc1)C(C)C)C	PC-id_74804037	484.634	IBSJWIWCFLZKCK-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148513
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(OCc2ccccc2)cc1)C(C)C)C	PC-id_26356181	484.634	BSVOQAHSVMMOHJ-XMMPIXPASA-O	00000000100000110101000000000010000000000000000000000000	31-01-148514
S(=O)(=O)(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OCc2ccccc2)ccc1)C(C)C)C	PC-id_42449109	484.634	IBSJWIWCFLZKCK-XMMPIXPASA-O	00000000100000110101000000000010000000000000000000000000	31-01-148515
S(=O)(=O)(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(OCc2ccccc2)ccc1)C(C)C)C	PC-id_42449111	484.634	IBSJWIWCFLZKCK-DEOSSOPVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148516
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)/C(=C/c1ccccc1)/CCO	PC-id_30377107	484.654	ZZCMQEZCCIIQBK-DYTRJAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148517
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)C(=Cc1ccccc1)CCO	PC-id_85463194	484.654	ZZCMQEZCCIIQBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148518
CC(C)C1C(=O)OC(CC(=O)NCc2nc(cs2)C(=N)SCCC(=O)N1)C=CCCS	PC-id_89096004	484.656	YYWDCLVMJXWWFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148519
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C#N	PC-id_22198281	484.656	IMDHPKXILNHPHU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148520
SCC/C=C/C1CC(=O)NCc2scc(n2)C(=N)SCCC(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL13468998	484.656	YYWDCLVMJXWWFL-FTOPAQRJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148521
CCCC[N+](=C1C(CC=c2c(=C(N1C)NC)[nH]c(=O)n2Cc1cnc(cc1)OCCN(C)C)C)C	PC-id_91106000	484.657	IHEJZLJDUWGETA-UHFFFAOYSA-O	00000000100000101111000000000010000000000000000000000000	31-01-148522
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(=O)c2c(c(sc2n1)C)C)CC=C)C#N	PC-id_24367688	484.657	VZRTYRGIZYWNIE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-148523
O=Cc1c2-c(c(C(c3c4-c(cc3)ccc(C(C)(C)C)cc4)c3ccccc3)c1)ccc(C(C)(C)C)cc2	PC-id_15440523	484.67	KXZZWWBFSIDZJV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148524
c1(NC(=O)C(C)Sc2c3ccccc3n(CCC)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-1209179025,EMOLS-id_16384284,PC-id_4427991	484.674	WLFTVIJEEQMGOC-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-148525
CCOC(=O)c1c(NC(=O)[C@@H](Sc2cn(c3c2cccc3)CCC)C)sc2c1CCCCC2	CoCoCo_2667516,PC-id_92201616	484.674	WLFTVIJEEQMGOC-KRWDZBQOSA-N	00000000100000100100000001100010000000000000000000000000	31-01-148526
CCOC(=O)c1c(NC(=O)[C@H](Sc2cn(c3c2cccc3)CCC)C)sc2c1CCCCC2	PC-id_92201617,CoCoCo_2667517	484.674	WLFTVIJEEQMGOC-QGZVFWFLSA-N	00000000100000100100000001100010000000000000000000000000	31-01-148527
O1CC(CCCC)(CCCC)COc2c1c(n(c2C(=O)OCC)Cc1ccccc1)C(=O)OCC	PC-id_59089974	485.612	PISKKCMBOAGCFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148693
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCC(CC1)C(=O)NCCc1sccc1)C#N	PC-id_56182076	484.677	DFARPADNUOONSS-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-148528
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCC(CC1)C(=O)NCCc1sccc1)C)C#N	PC-id_56182169	484.677	ZHHCJVOXJJOFCM-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-148529
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1scc(n1)c1ccc(OC)cc1	PC-id_30377064	484.677	OMRSGDCCLOBCKS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148530
CCc1ccc(Nc2nn(CN3CCN(Cc4nnc5n4CCCCC5)CC3)c(=S)s2)cc1	ZINC22_22802148,CoCoCo_4492309,MCULE-5235545489,CoCoCo_4492308,EMOLS-id_11947369,PC-id_17551806	484.684	UCIVQFGCBNVFGY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148531
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)CN2CCCC2)cc(c1)C(F)(F)F	PC-id_140700440	484.899	BWBUIFCZPVBRJH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-148532
CC(c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)C(F)(F)F)NC1=NCCN1	PC-id_90460541,SCHEMBL16099777	484.902	ODSYCQUYHKHIJI-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-148533
F[C@@H]1C[C@H](N(C1)C(=O)Cc1cc(c2-c1ccccc2)C(=O)C)C(=O)NCc1cccc(c1F)Cl	SCHEMBL17035464,PC-id_118332606	484.922	NSMZQQMGESADAK-JPYJTQIMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148534
Clc1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)cc2OCOc2c1	GD-id_ZINC12278786,PC-id_42498891	484.955	DGRDNCQOKXHYID-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-148535
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cc(OC)ccc3)C)CC2)cc2OCOc2c1	PC-id_42340590	484.955	ICFUVFWPMNTJDP-HNNXBMFYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-148536
Clc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(OC)ccc3)C)CC2)cc2OCOc2c1	PC-id_42340591,GD-id_ZINC11995783	484.955	ICFUVFWPMNTJDP-OAHLLOKOSA-O	00000010100000110101000000001010000000000000000000000000	31-01-148537
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(OC)ccc3)C)CC2)cc2OCOc2c1	PC-id_74844185	484.955	ICFUVFWPMNTJDP-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-148538
Cc1c([nH]c2c1C(=O)N(CCC2)CC(CN1CCOCC1)O)C=C1c2c(ccc(c2)Cl)NC1=O	SCHEMBL3134919,PC-id_87483969	484.975	GTFKYNPJXSLPPY-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-148539
Clc1cc2/C(=C/c3[nH]c4CCCN(C[C@@H](O)CN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL3134903,PC-id_25131958	484.975	GTFKYNPJXSLPPY-LSPINASFSA-N	00000010100010100101000000001010000000000000000000000000	31-01-148540
Clc1cc2C(=Cc3[nH]c4CCCN(C[C@@H](O)CN5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	SCHEMBL3134926,PC-id_68524374	484.975	GTFKYNPJXSLPPY-KRWDZBQOSA-N	00000010100010100101000000001010000000000000000000000000	31-01-148541
Clc1cc2/C(=C/c3[nH]c4CCCN(CC(O)CN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL3134911,PC-id_68524366	484.975	GTFKYNPJXSLPPY-UNOMPAQXSA-N	00000010100010100101000000001010000000000000000000000000	31-01-148542
c1(c2CCCCCc2sc1NC(=O)COc1ccc(cc1)Cl)C(=O)Nc1ccc(cc1)OC	MCULE-3001278986,SPECS-id_AG-205/12835133,CoCoCo_1731160,EMOLS-id_6767920,ZINC22_2186029,PC-id_1821611	484.995	YMVBMJOUZJDZHD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148543
ClCC/C=C/C1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)NC(C(=O)O1)C(C)C)(C)C	SCHEMBL17295940,PC-id_118542653	484.997	AICDVJSPJFCXOC-FNORWQNLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148544
ClCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C	SCHEMBL17295951,PC-id_118542659	484.997	AICDVJSPJFCXOC-FDOGZAMYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148545
Clc1c(c2oc(C[NH+]3CCn4c(nnc4CCNC(=O)C4CCOCC4)CC3)cc2)cccc1	PC-id_42368460	484.998	VMQKXWUQOZYDEG-UHFFFAOYSA-O	00000000101010110101100000000010000000000000000000000000	31-01-148546
COc1ccc(cc1Cl)C(=O)NCc1cccc(c1)C(=O)Nc1nc2c(s1)CCC(CC2)N	PC-id_143722658	484.998	OFKPTTNCTFTENK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148547
N#Cc1c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(cc2)Cl)sc2c1CCCCC2	GD-id_ZINC20569964	484.998	GAIWOIGYNRWARE-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-148548
Clc1sc(OC(=O)NC2CC(N(C2)C(=O)c2sc3c(n2)CCN(CC3)C)COC)cc1	PC-id_77947783	485.02	CWDQZZDQGQOCFF-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-148549
Clc1sc(OC(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(n2)CCN(CC3)C)COC)cc1	SCHEMBL13372886,PC-id_70893715	485.02	CWDQZZDQGQOCFF-OLZOCXBDSA-N	00000010100100000101000000000010000000000000000000000000	31-01-148550
Clc1c(C(=O)N2CCN(CCC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)cccc1	PC-id_56068397	485.041	DFOVJUIGGAHCIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148551
BrC(c1sc2c(CCCCC2)c1)c1cc(Br)sc1Br	PC-id_63442764	485.095	MWWFWMRERABBDA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-148552
BrC(c1sc2c(CCCCC2)c1)c1sc(Br)c(Br)c1	PC-id_80534247	485.095	ZITROKNNMSFEOZ-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-148553
CC1=C(N2CCCC=CC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=NC(=C3)F)C#N	PC-id_155278695	485.114	OPGFWWPOFWORAI-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-148554
CC([C@H]1C=CC2=C(N(C=C2S(=N)(=O)N1)C)C(=O)NC3=CC(=NC=C3)Cl)OCC4=CC=CC=C4	PC-id_147832838	485.129	HRLAEEUMOCSEMX-JXVWUGGGSA-N	00000000100000111111000000000010000000000000000000000000	31-01-148555
CC(C)CC(C(=O)CC1CC2=NSC(=C2)CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_147316674	485.198	CYZSAXUZILVZAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148556
CC(C)C(C(=O)CC1CC2=NSC(=C2)CCCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_152885258	485.198	UCGRWCRUDCJOKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148557
CC(C)C(C(=O)CC1CCC2=C(CCCNC(=O)C1=O)SC=N2)NC(=O)OCC3=CC=CC=C3	PC-id_149281735	485.198	XTBYPUWIKSNYRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148558
CC(C)C(C(=O)CC1CCC2=NC(=CS2)CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_147692605	485.198	GRGOBVOXBUPOLL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148559
CC(C)C(C(=O)CC1CCC2=NSC(=C2)CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_147814732	485.198	HOBLIYQHGUZOLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148560
CC(C)C(C(=O)CC1CCCC2=C(CCNC(=O)C1=O)SC=N2)NC(=O)OCC3=CC=CC=C3	PC-id_148678328	485.198	NRCADXGDWHQAON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148561
CC(C)C(C(=O)CC1CCCC2=NC(=CS2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_147344240	485.198	DECOAYGHJZURBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148562
CC(C)C(C(=O)CC1CCCC2=NSC(=C2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_148138760	485.198	JWMOOMRXBQVUJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148563
c12CCCCCc1c(C(=O)OCC)c(NC(=O)Cn1c(C)c(Br)c(N(=O)=O)n1)s2	TIMTEC448196,CoCoCo_1983794,PC-id_5294941,ZINC22_12413885,MCULE-6550095163,EMOLS-id_6814739	485.352	SHRLDZLIQBKMKU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148566
c1(N(=O)=O)nn(c(C)c1Br)CC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC	TIMTEC361682,CoCoCo_5815995,SPECS-id_AK-968/12023022,EMOLS-id_4163375,PC-id_4150789,MCULE-1774286469,ZINC22_2737913	485.352	OPDQPPUBSMFZOS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148567
[n+]1(CC(=O)c2ccc(cc2)N(=O)=O)c2CCCCCn2c(CNc2ccc(Br)cc2)n1	EMOLS-id_4447125,GD-id_ZINC15952679,ZINC22_15952679,ChEMBL-DNDi_CHEMBL1621481,BindingDB-id_144783,CoCoCo_5791033,BindingDB_PC-id_1925099,MCULE-8196724435,PC-id_1925099	485.354	CJKFEANMHBSJKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148568
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC	PC-id_3668140	485.364	RAZDXRWGYGXCDQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-148569
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC	PC-id_4189857	485.364	WRBDXOAOOOYFGL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-148570
Brc1ccc(COc2c(OC)cc(C(=O)NCc3n4CCCCCc4nn3)cc2)cc1	PC-id_60458456	485.374	KTZVMKQGHREFRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148571
Clc1c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)cc(Cl)c1	PC-id_4530988	485.407	XKQGCIIUWWVSOU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-148572
Clc1c(CSc2sc(NC(=O)Cn3nc4n(CCCCC4)c3=O)nn2)c(Cl)ccc1	PC-id_30765966	485.411	CCWURIBBECDVBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148573
CN/C(=NC=NCc1cccc(c1F)F)/C(=O)N[C@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18377748	485.411	NTZJTAFXDCVMEF-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148574
CN/C(=NC=NCc1cccc(c1F)F)/C(=O)N[C@@H]1CCn2c(N(C1=O)C)cc(n2)C(F)(F)F	SCHEMBL18377749	485.411	NTZJTAFXDCVMEF-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148575
Brc1cc(CS(=O)(=O)CC(=O)NNC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_60573240	485.415	GSZGVDLJPZZBTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148576
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)CC(CC(C)(C)C)C(=O)N	PC-id_76657216	485.415	DMULYDMCDTXLGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148577
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)CC(C(C)(C)C)C(=O)NC	PC-id_76657151	485.415	KIKCHEPZGMTVPJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148578
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)CC(CC(C)C)C(=O)NC	PC-id_76657185	485.415	JASXJFBKACOEGS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148579
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)C[C@@H](CC(C)(C)C)C(=O)N	PC-id_58135628	485.415	DMULYDMCDTXLGX-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148580
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)C[C@@H](C(C)(C)C)C(=O)NC	PC-id_58135560	485.415	KIKCHEPZGMTVPJ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148581
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)C[C@@H](CC(C)C)C(=O)NC	PC-id_58135596	485.415	JASXJFBKACOEGS-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148582
Brc1c2C(=Cc3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)C(=O)Nc2ccc1	PC-id_68523691	485.417	GOHXRBMATBQSSV-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148583
Brc1c2/C(=C/c3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)/C(=O)Nc2ccc1	SCHEMBL3133162,PC-id_25114268	485.417	GOHXRBMATBQSSV-PEZBUJJGSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148584
Brc1cc2/C(=C/c3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_25114044,SCHEMBL3140134	485.417	KUPSRNMUKNFWQE-JXAWBTAJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148585
Brc1cc2C(=Cc3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68526256	485.417	KUPSRNMUKNFWQE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148586
c1(NC(=S)NC(=O)c2c(Br)cnn2C)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_2450154,TIMTEC89666,STOCK4S-89332,PC-id_2045384,MCULE-7980045157,EMOLS-id_4637410	485.418	BXPULXIKENDPCE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148587
c1(NC(=S)NC(=O)c2nn(cc2Br)C)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_4639411,PC-id_2048214,ZINC22_2453604,MCULE-6652743261,STOCK4S-92025	485.418	NQVYYCCEFREEFD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148588
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1)Cc1cc(ccc1)C(F)(F)F	PC-id_19523768	485.425	BGIRGHLGGONROJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148589
Brc1cc(F)c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_20410040	485.433	FJPQGYWDRQDTDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148590
Brc1oc(C=Nc2sc3c(CCCCCC3)c2C(=O)Nc2c(ccc(c2)C)C)cc1	PC-id_23856646	485.436	YWFNZCGZZRJAGL-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-148591
Brc1oc(C=Nc2sc3c(CCCCCC3)c2C(=O)Nc2c(c(ccc2)C)C)cc1	PC-id_23903834	485.436	UGQNOBFGSZIXFM-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-148592
Brc1oc(C=Nc2sc3c(CCCCCC3)c2C(=O)Nc2cc(cc(c2)C)C)cc1	PC-id_24018838	485.436	WBWKMZOUERIGOK-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-148593
Clc1cc(ccc1Cl)Cn1c(nc2c1C(CCCC2)C(c1ccccc1)(C(=O)O)C)C(C)C	SCHEMBL2513106,PC-id_67435194	485.445	PXPCYKNIYLMHMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148594
Clc1cc(Cn2c3C(CCCCc3nc2C(C)C)C(Cc2ccccc2)C(=O)O)ccc1Cl	PC-id_67435195,SCHEMBL2513107	485.445	PVJFRKGSEREKHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148595
Clc1cc(Cn2c3C(CCCCc3nc2C(C)C)CC(=O)OCc2ccccc2)ccc1Cl	SCHEMBL12199276,PC-id_58460204	485.445	CDOJDOIUIFLRNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148596
CCC1=C(C(=O)OC(C)C)c2c(C(CN1C(=O)c1ccc(c(c1)F)F)(C)C)[nH]nc2C(F)(F)F	SCHEMBL19659363	485.447	NUMAGFIDXXUDLI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-148597
CCC1=C(C(=O)OC(C)C)c2[nH]nc(c2C(CN1C(=O)c1ccc(c(c1)F)F)(C)C)C(F)(F)F	SCHEMBL19659355	485.447	CZOCMLOVBMDLMN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-148598
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(C(=O)Nc1nnn[nH]1)OC	PC-id_23296753,SCHEMBL8160437	485.45	LYPLYFHHBVZVLC-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-148599
Brc1cn(nc1C)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_20176456	485.461	VKNRNRLQCXQFND-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148600
Brc1cn(nc1)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_20178194	485.461	XUXSRIFFZWRFMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148601
Brc1cn(nc1)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_20178188	485.461	MDZMOPTZMOBKRT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148602
Brc1cn(nc1)CCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_20176917	485.461	YLIDAUXQZGKJRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148603
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3cccc(Cl)c3Cl)sc3c2CCCCCC3)c1	ZINC22_409014083	485.468	LYOUZZGHIKYTPF-WKULSOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148604
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cccc(Cl)c3Cl)sc3c2CCCCCC3)c1	ZINC22_409015167	485.468	OBIJLXZYSPJPDD-WKULSOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148605
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(Cl)cc3Cl)sc3c2CCCCCC3)c1	ZINC22_409013533	485.468	KPZDHLCJMKOFQF-WKULSOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148606
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(Cl)cc3Cl)sc3c2CCCCCC3)c1	ZINC22_409014580	485.468	NCOIYEZUAILKPO-WKULSOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148607
Cc1cccc(NC(=O)c2c(/N=C/c3cccc(Cl)c3Cl)sc3c2CCCCCC3)c1C	ZINC22_409010559	485.468	BYZFGHSZZRGDNB-WKULSOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148608
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(Cl)cc3Cl)sc3c2CCCCCC3)c1C	ZINC22_409011199	485.468	FGOHVGJQKQUZMJ-WKULSOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148609
Cc1ccc(NC(=O)c2c(/N=C/c3cccc(Cl)c3Cl)sc3c2CCCCCC3)cc1C	ZINC22_409018243	485.468	TXZBBJYZKUVKHW-WKULSOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148610
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(Cl)cc3Cl)sc3c2CCCCCC3)cc1C	ZINC22_409013974	485.468	LHGNEUWJUUUMAA-WKULSOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148611
CC(C)(C)OC(=O)N1CCc2c(OS(=O)(=O)C(F)(F)F)nn(C(=O)OC(C)(C)C)c2CC1	EMOLS-id_324124151,SCHEMBL20547148,MCULE-2268907180,PC-id_135367819	485.475	WZBOVILFVVELNK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148612
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(C(=O)NC1=NCCN1)OC	PC-id_23296766,SCHEMBL8165619	485.49	UDHUQBWBAOCIRX-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-148613
COCCOCCc1nn2c(c1)N(C)C(=O)[C@@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367415	485.511	GIFIIRAFNPZSNU-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148614
COCCOCCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367418	485.511	GIFIIRAFNPZSNU-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-148615
O=C(NCc1nnc2n1CCCCC2)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	PC-id_24243818,CoCoCo_3865684,ZINC22_14485150,EMOLS-id_17199506,MCULE-6340035366	485.523	DFDWRPMCQGDMBN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148616
S(=O)(=O)(N1CCC(CC1)C(=O)NCc1n2CCCCCc2nn1)c1c(cccc1)C(F)(F)F	PC-id_24676664	485.523	MYMDPVPHXSXCLM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148617
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCC(=O)N1CCCCC1	PC-id_15411819,SCHEMBL7043655	485.53	SZUKPIVIUSQPPW-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-148618
CCOC(=O)c1c(N)c(c2-c1ccc(cc2)CC(=O)N(OCC(=O)N1CCCC1)C)C(=O)OCC	PC-id_23296723,SCHEMBL6875576	485.53	LAJVPXQDIMIWQT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-148619
O=C1N(CCCC1)CCONC(=O)Cc1ccc2-c(c(c(N)c2C(=O)OCC)C(=O)OCC)cc1	PC-id_9848220	485.53	ZEKSSZKQNLKTTE-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-148620
O=C(N1CCCCC1)COC(=O)NCc1ccc2-c(c(c(N)c2C(=O)OCC)C(=O)OCC)cc1	PC-id_9805391	485.53	RTIVQPNNMYUTMM-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-148621
O=C1NC(=O)N(C(N)C1N(CCOC)C(=O)Cn1nc2n(CCCCC2)c1=O)Cc1ccccc1	PC-id_76238754	485.536	QNWYBIRSUHBKLA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148622
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1oc2c(c1C)cc(OCC)cc2)C(=O)OC	PC-id_4011948	485.549	RAEHCSDIWWBVPK-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-148623
CCN(CCC(=O)NCC1CCCO1)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-8335595353,EMOLS-id_25387236,PC-id_46049536	485.551	NOWAJWHWZCJACZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-148624
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)CCC(=O)NC[C@@H]1CCCO1	PC-id_93332220	485.551	NOWAJWHWZCJACZ-FQEVSTJZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-148625
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)CCC(=O)NC[C@H]1CCCO1	PC-id_93332221	485.551	NOWAJWHWZCJACZ-HXUWFJFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-148626
COCC(=O)NC1=C(F)C=C2C(C1)NC(=O)/C/2=Cc1[nH]c2c(c1C)C(=O)N(CCC2)CCN(C)C	PC-id_145511578	485.551	FJYGEEALSOJFAF-WJDWOHSUSA-N	00000010100011000100000000000110000000000000000000000000	31-01-148627
Fc1cccc(c1)C(=O)NCc1nnc2CCN(Cc3ccc(OCc4ccccc4)cc3)CCn12	ChEMBL-DNDi_CHEMBL27385024,PC-id_29087242,CoCoCo_1267945,MCULE-7174195115,ZINC22_20600294,EMOLS-id_20497747,CoCoCo_1267946	485.553	YWLIUJBPMYHEDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148628
Fc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cccc(Oc4ccccc4)c3)CCn12	PC-id_29253379,CoCoCo_1336141,EMOLS-id_20544943,ZINC22_20992208,CoCoCo_1336140,MCULE-2217414567	485.553	QTQQCFWNZVXDEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148629
N1(C(Cc2ccc(cc2)O)C(=O)Nc2sc3c(CCCCC3)c2C#N)C(=O)c2c(cccc2)C1=O	STOCK2S-48929,MCULE-9621306446,PC-id_3834382	485.554	WBJPGOMQLJVFFJ-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-148630
N#Cc1c(NC(=O)[C@@H](Cc2ccc(O)cc2)N2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	PC-id_1419817,ZINC22_1306411	485.554	WBJPGOMQLJVFFJ-JOCHJYFZSA-N	00000010100000110100000000001010000000000000000000000000	31-01-148631
N#Cc1c(NC(=O)[C@H](Cc2ccc(O)cc2)N2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	ZINC22_1306410,PC-id_1419816	485.554	WBJPGOMQLJVFFJ-QFIPXVFZSA-N	00000010100000110100000000001010000000000000000000000000	31-01-148632
C1C/C=CC[C@H](NC(=O)[C@@H](Nc2nc(cs2)C(=O)NC1)Cc1ccccc1)C(=O)NCC(=O)O	PC-id_136673123	485.556	RZSBTEZYTLYKPP-JMLRNBDZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-148633
COC[C@@H](Oc1cc(Oc2nc3c(s2)C(=O)N(CCC3)C)cc(c1)C(=O)Nc1ccn(n1)C)C	SCHEMBL2075085,PC-id_15953202	485.556	UUEOJBYASILXKX-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148634
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc([N+](=O)[O-])c(N2CCN(CC2)C(=O)C)cc1	PC-id_55376830	485.556	ZWJZFEOJUUVLER-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148635
s1c2c(nc1Oc1cc(OC(COC)C)cc(c1)C(=O)Nc1nn(cc1)C)CCCN(C2=O)C	PC-id_73205021	485.556	UUEOJBYASILXKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148636
COc1cc(/C=c/s/c(=C(/C#N)c3nnc4n3CCCCC4)/n(c3ccccc3)c2=O)ccc1O	ZINC22_33676446,CoCoCo_3722676	485.558	LJODITXVQMGXGH-WSZSTFCWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148637
COc1ccc(cc1)S(=O)(=O)N1CCc2sccc2C[C@H]([C@@H]1C(=O)O)CCc1ccccc1	PC-id_139966433	485.616	RSKLMJDXYRVWCM-HYBUGGRVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148694
COc1cc(ccc1O)/C=c/1s/c(=C(/c2nnc3n2CCCCC3)C#N)/n(c1=O)c1ccccc1	CoCoCo_3722674	485.558	LJODITXVQMGXGH-AIICTDHCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148638
COc1cc(ccc1O)/C=c
/s/c(=C(/c2nnc3n2CCCCC3)C#N)/n(c1=O)c1ccccc1	CoCoCo_3722675	485.558	LJODITXVQMGXGH-VCZMBVSDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148639
COc1ccc(cc1O)/C=c/1s/c(=C(/c2nnc3n2CCCCC3)C#N)/n(c1=O)c1ccccc1	CoCoCo_3825044	485.558	LUYOWZQMLZWPOU-AIICTDHCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148640
COc1ccc(cc1O)/C=c
/s/c(=C(/c2nnc3n2CCCCC3)C#N)/n(c1=O)c1ccccc1	CoCoCo_3825045	485.558	LUYOWZQMLZWPOU-VCZMBVSDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148641
COc1cc(ccc1O)C=c1sc(=C(c2nnc3n2CCCCC3)C#N)n(c1=O)c1ccccc1	MCULE-3594431076,PC-id_5053565,EMOLS-id_44489637	485.558	LJODITXVQMGXGH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148642
COc1cc(ccc1O)/C=c/1s/c(=C(c2nnc3n2CCCCC3)/C#N)/n(c1=O)c1ccccc1	PC-id_2309299,CoCoCo_3722673	485.558	LJODITXVQMGXGH-SKGUDZDDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148643
COc1ccc(cc1O)/C=c/1s/c(=C(c2nnc3n2CCCCC3)/C#N)/n(c1=O)c1ccccc1	PC-id_2312095,CoCoCo_3825043	485.558	LUYOWZQMLZWPOU-SKGUDZDDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148644
COc1ccc(cc1O)C=c1sc(=C(c2nnc3n2CCCCC3)C#N)n(c1=O)c1ccccc1	PC-id_4419895,MCULE-2395242959,EMOLS-id_44490449	485.558	LUYOWZQMLZWPOU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148645
COc1ccc(/C=c/s/c(=C(/C#N)c3nnc4n3CCCCC4)/n(c3ccccc3)c2=O)cc1O	ZINC22_34876285,CoCoCo_3825046	485.558	LUYOWZQMLZWPOU-WSZSTFCWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148646
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1cc(OC)c(O)cc1)c1ccccc1	PC-id_2309296	485.558	LJODITXVQMGXGH-VQQFKDQRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148647
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1cc(O)c(OC)cc1)c1ccccc1	PC-id_2312092	485.558	LUYOWZQMLZWPOU-VQQFKDQRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148648
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OCCCN1CCCC1)C	SCHEMBL8165290,PC-id_23296759	485.573	OMHXAHBLXMAKOA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-148649
COC(=O)C1Cc2c(csc2C(=O)CN1S(=O)(=O)c1ccc(cc1)OC)Cc1ccccc1	PC-id_139966430	485.573	IEOWZJBZGOAFDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148650
s1c2c(CCCCC2)c(c1NC(=O)c1scc(c1)COc1cc2OCOc2cc1)C(=O)OC	PC-id_19484362	485.573	IBYHILCBHJUOSQ-UHFFFAOYSA-N	00000010100100100101000000001010000000000000000000000000	31-01-148651
S(=O)(=O)(N1CCc2c(scc2Cc2ccccc2)C(=O)C1C(=O)OC)c1ccc(OC)cc1	PC-id_57280639	485.573	MQDZUDNRIQCGBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148652
S(=O)(=O)(N1C(C(c2c(scc2)C(=O)C1)Cc1ccccc1)C(=O)OC)c1ccc(OC)cc1	PC-id_54094040	485.573	MVVHARLWXSEFJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148653
S(=O)(=O)(NC(Cc1ccccc1)C(=O)NCCc1n2CCCCCc2nn1)c1c(F)cccc1	PC-id_76859386	485.574	DVWQLNYCAKQJGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148654
S(=O)(=O)(N[C@@H](Cc1ccccc1)C(=O)NCCc1n2CCCCCc2nn1)c1c(F)cccc1	PC-id_60404875	485.574	DVWQLNYCAKQJGO-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148655
OC(NC(C(=O)NC1CCCCc2[nH]ncc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730449,SCHEMBL21109604	485.576	NHLIAAAIDFUSJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148656
s1c2CCCCCc2nc1NC(=O)c1cc(S(=O)(=O)NCc2cc3OCOc3cc2)ccc1	PC-id_24611822	485.576	ULGXLMGCGVJHHY-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-148657
c1(cc(oc1C)C)C(=O)NCc1nnc2CCN(Cc3ccc(cc3)OCc3ccccc3)CCn12	EMOLS-id_20432483,CoCoCo_1175962,ZINC22_12038481,CoCoCo_1175963,PC-id_42369656,MCULE-7379669464	485.577	FJKZXSJUFQWHPT-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148658
COc1cc(ccc1OCC(=O)Nc1c(C)cc(cc1C)C)C=C(c1nnc2n1CCCCC2)C#N	MCULE-3178344539,PC-id_3952002,EMOLS-id_26092953	485.577	DTJRDUGPZWOJBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148659
COc1cc(ccc1OCC(=O)Nc1c(C)cc(cc1C)C)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_75460361,CoCoCo_3456439,CoCoCo_3456438	485.577	DTJRDUGPZWOJBD-HMAPJEAMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148660
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(c4ccccc4C)cc2)CC3)o1	CoCoCo_1345682,MCULE-8749023096,PC-id_29256334,EMOLS-id_20551397,ChEMBL-DNDi_CHEMBL38715163,CoCoCo_1345681,ZINC22_20996131	485.577	QGGIETQWXBIGIE-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-148661
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cccc(c4ccccc4C)c2)CC3)o1	ChEMBL-DNDi_CHEMBL25458663,MCULE-9744857742,PC-id_29084656,EMOLS-id_20487467,ZINC22_20598449,CoCoCo_1253408,CoCoCo_1253407	485.577	JTCHGQTVGVOMPM-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-148662
COCc1ccc(C(=O)NCc2nnc3n2CCN(CC(c2ccccc2)c2ccccc2)CC3)o1	EMOLS-id_20587907,CoCoCo_1400222,ZINC22_14997372,MCULE-6073491056,ChEMBL-DNDi_CHEMBL47544457,CoCoCo_1400221,PC-id_26353110	485.577	VVXGMIAYYLYLNX-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148663
O(c1c(OC)cc(/C=C(/c2n3CCCCCc3nn2)C#N)cc1)CC(=O)Nc1c(cc(cc1C)C)C	PC-id_5967823	485.577	DTJRDUGPZWOJBD-HYARGMPZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148664
O=C(C1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCc1ccccc1	PC-id_46049464,EMOLS-id_25387224,MCULE-6146978024	485.577	YCHAXXFMLQYATR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148665
O=C(C1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCCc1ccccc1	PC-id_46049868,EMOLS-id_25388142,MCULE-3576155036	485.577	WATYONFZYZJQGC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-148666
O=C([C@@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCc1ccccc1	PC-id_93332206	485.577	YCHAXXFMLQYATR-DEOSSOPVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148667
O=C([C@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCc1ccccc1	PC-id_93332207	485.577	YCHAXXFMLQYATR-XMMPIXPASA-N	00000000100010110101000000000010000000000000000000000000	31-01-148668
O=C([C@@H]1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCCc1ccccc1	PC-id_93332500	485.577	WATYONFZYZJQGC-DEOSSOPVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-148669
O=C([C@H]1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCCc1ccccc1	PC-id_93332501	485.577	WATYONFZYZJQGC-XMMPIXPASA-N	00000010100000110101000000000010000000000000000000000000	31-01-148670
O=C(N(C1CC1)CCC(=O)NCc1ccccc1)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049952	485.577	DPUBNHFZOSWOGY-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-148671
O=C(NCc1ccccc1)C1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049475	485.577	OWZPEMXPYUNXEW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148672
O=C(NC(c1ccccc1)C)C1N(CCC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049864	485.577	NMXSPCZRHMNABJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-148673
CCn1c(SCC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccco1	MCULE-1863386798,PC-id_4845133,ZINC22_13130922,EMOLS-id_3410167,CoCoCo_2866642	485.579	BHBUWGNDBBZYFC-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-148674
CCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2-c1c(ccc(c2)C(C)C)OC	PC-id_11755122,CHEMBL166407	485.592	JBWPLKNOWBVBNE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148675
COC(=O)c1cc(c2-c1ccccc2)C(=C1C=[N+](c2c1cccc2)CC)c1cn(c2c1cccc2)CC	PC-id_101264191	485.596	LBXAQFLAXIKETK-UHFFFAOYSA-N	00000011100000100110000001101010000000000000000000000000	31-01-148676
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc2OCOc2cc1)C(=O)OC	PC-id_2697786	485.596	NTFPUVMLPNMFNC-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-148677
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(F)cc1)C#N	PC-id_19633621	485.597	SNERTDFSZHUIAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148678
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)C)C#N	PC-id_17267440	485.597	KJYYQMQDIRYZGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148679
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)C)C#N	PC-id_19633507	485.597	PGUMCWHYLUEDDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148680
O=C(NC(CC(C)C)c1n2CCN(CCc2nn1)C(=O)COc1ccc(cc1)C(=O)C)C[NH+](C)C	PC-id_74498600	485.599	IKRDQEIIQBLTAJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148681
O=C(N[C@H](CC(C)C)c1n2CCN(CCc2nn1)C(=O)COc1ccc(cc1)C(=O)C)C[NH+](C)C	PC-id_26342893	485.599	IKRDQEIIQBLTAJ-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148682
O=C(N[C@@H](CC(C)C)c1n2CCN(CCc2nn1)C(=O)COc1ccc(cc1)C(=O)C)C[NH+](C)C	PC-id_26342898	485.599	IKRDQEIIQBLTAJ-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148683
C1CN(CC1N)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)Nc1cc(ccc1)Oc1ccccc1	PC-id_89125823	485.601	SCGKGAODGOSBSI-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-148684
Cc1cc(c(o1)C)C(=O)NCc1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)N(c1ccccc1)C	PC-id_42432030,GD-id_ZINC12151722	485.601	URUBGVQFPLYLDK-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148685
NC1CCN(C1)C(=O)c1cc2c(s1)/C=CC/C=NC(=N/C2)Nc1cccc(c1)Oc1ccccc1	SCHEMBL13591753	485.601	SCGKGAODGOSBSI-QLCVSNABSA-N	00000010100000110111000000000010000000000000000000000000	31-01-148686
[O-]C(=O)C(C(c1ccc2c(c1C)nnn2C)c1ccc(c(c1)CN1CCCn2c(C1)cnc2)C)(C)C	PC-id_140880692	485.601	FFTFNZVHAOAPHE-UHFFFAOYSA-M	00000000100000110101000001000010000000000000000000000000	31-01-148687
S(CC(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CCC)c1n2CCCCCc2nn1	PC-id_73249236	485.602	CNMRBYZFPYVHOO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148688
CCCCC(CC1COc2c(OC1)c(n(c2C(=O)OCC)Cc1ccccc1)C(=O)OCC)CC	PC-id_10917889,SCHEMBL182447	485.612	PFNDXUVVBYRTPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148689
CCCCC(CC1COOc2c(C1)c(C(=O)OCC)n(c2C(=O)OCC)Cc1ccccc1)CC	PC-id_22672949,SCHEMBL182446	485.612	WAIMJQRXVVDOBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148690
CCCCCCCCC1COc2c(OC1)c(n(c2C(=O)OCC)Cc1ccccc1)C(=O)OCC	SCHEMBL182908,PC-id_11038230	485.612	RHVOHELILMYQSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148691
CCCCCCCCC1COOc2c(C1)c(C(=O)OCC)n(c2C(=O)OCC)Cc1ccccc1	SCHEMBL182907,PC-id_22672971	485.612	YRNJVGBJPPWMGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148692
COC(=O)[C@@H]1[C@H](CCc2ccccc2)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966457	485.616	AXZQVRPWIUSWRB-VWNXMTODSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148695
S(=O)(=O)(N1CC(c2c(scc2)CC1C(=O)OC)CCc1ccccc1)c1ccc(OC)cc1	PC-id_76498358	485.616	YYAHXAJJWJVMFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148696
S(=O)(=O)(N1C(C(Cc2c(scc2)CC1)CCc1ccccc1)C(=O)O)c1ccc(OC)cc1	PC-id_56995330	485.616	RSKLMJDXYRVWCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148697
S(=O)(=O)(N1C[C@H](c2c(scc2)C[C@H]1C(=O)OC)CCc1ccccc1)c1ccc(OC)cc1	PC-id_57244574	485.616	YYAHXAJJWJVMFN-XXBNENTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-148698
s1c2CCCCCc2c(c1NC(=O)C[NH+](CC(=O)Nc1cc(OCC)c(OCC)cc1)C)C#N	PC-id_41091645	485.619	ILDLQFDOYSHWNW-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-148699
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(SCC(=O)NC(C)C)cccc1)C#N	PC-id_55308466	485.619	LVOUAAJBLYMUAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148700
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(c(cc1)C)C)C(=O)OCC	PC-id_3346591	485.619	IZYSPKKEIXPJBS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148701
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(N1C(=O)c2c(C1=O)cccc2)CCSC	PC-id_24409822	485.619	HQUQRUJFFYAYQB-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148702
Cc1cccc(c1)c1cccc(c1)C(=O)N1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1	EMOLS-id_20522741,PC-id_42367957,CoCoCo_1304336,MCULE-2543839820,ZINC22_12036763	485.62	MIPYVTHRDIZNPE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148703
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)S(=O)(=O)c1cccs1	PC-id_44505724,CHEMBL1868242	485.621	PGFJNEXHUNNOGH-BQFCYCMXSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148704
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)c1sccc1	PC-id_75036127	485.621	PGFJNEXHUNNOGH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148705
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1sccc1	CHEMBL1869952,PC-id_44505533	485.621	PGFJNEXHUNNOGH-NUJGCVRESA-N	00000000100100000101000000000010000000000000000000000000	31-01-148706
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1sccc1	PC-id_44504918	485.621	PGFJNEXHUNNOGH-LZLYRXPVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148707
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1sccc1	PC-id_44504921	485.621	PGFJNEXHUNNOGH-SOLBZPMBSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148708
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1sccc1	PC-id_44504922	485.621	PGFJNEXHUNNOGH-JFIYKMOQSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148709
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1sccc1	PC-id_44505323	485.621	PGFJNEXHUNNOGH-XYJFISCASA-N	00000000100100000101000000000010000000000000000000000000	31-01-148710
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1sccc1	PC-id_44505331	485.621	PGFJNEXHUNNOGH-RYRKJORJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148711
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1sccc1	PC-id_44505535	485.621	PGFJNEXHUNNOGH-JZXOWHBKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148712
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C)c1sccc1	PC-id_44484507	485.621	TWIICTDGYMRYAR-JZXOWHBKSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148713
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@H](CO)C)c2)C)c1sccc1	PC-id_44485046	485.621	TWIICTDGYMRYAR-RYRKJORJSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148714
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1sccc1	PC-id_44485735	485.621	TWIICTDGYMRYAR-JFIYKMOQSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148715
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@H](CO)C)c2)C)c1sccc1	PC-id_44485737	485.621	TWIICTDGYMRYAR-SOLBZPMBSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148716
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C)c1sccc1	PC-id_44486339	485.621	TWIICTDGYMRYAR-LZLYRXPVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148717
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C)c1sccc1	PC-id_44486945	485.621	TWIICTDGYMRYAR-BQFCYCMXSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148718
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C)c1sccc1	PC-id_44487404	485.621	TWIICTDGYMRYAR-XYJFISCASA-N	00000000100100000101000000000010000000000000000000000000	31-01-148719
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1sccc1	PC-id_44488681	485.621	TWIICTDGYMRYAR-NUJGCVRESA-N	00000000100100000101000000000010000000000000000000000000	31-01-148720
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nnc3n2CCCCC3)nc1C	MCULE-5909798655,EMOLS-id_11666585,ZINC22_9882707,PC-id_16268886,CoCoCo_3081524	485.622	KOOTYMZRPRCTNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148721
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1	EMOLS-id_11758468,PC-id_16324280,ZINC22_13120291,CoCoCo_4054344,MCULE-5746352492	485.622	INKDHHVLEXJERE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148722
CS(=O)(=O)c1ccc(cc1)CNC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCNCC1	PC-id_89125961	485.622	UKYNYAKZUYWYHV-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-148723
O=C(c1sc2c(c1)C/N=C(N=C/C/C=C)/NCc1ccc(cc1)S(=O)(=O)C)N1CCNCC1	SCHEMBL13592052	485.622	UKYNYAKZUYWYHV-MHDPGECESA-N	00000000100010110111000000000010000000000000000000000000	31-01-148724
s1c2CCCCCc2cc1C(=O)NNC(=O)CCn1c(n[nH]c1=S)c1ccc(OCC)cc1	PC-id_31846272	485.622	MLZMROZPQXPQBI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148725
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1cccnc1)C(=O)OCC	PC-id_20126847	485.622	GLSTWXPXNYZHGB-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-148726
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccncc1)C(=O)OCC	PC-id_20126942	485.622	AYMXWDNSYQXFAN-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-148727
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ncccc1)C(=O)OCC	PC-id_17303659	485.622	ZUQIFUAEBIYFBC-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-148728
s1c2CCCCCc2nc1NC(=O)CSCC(=O)Nc1c(n(n(c1=O)c1ccccc1)C)C	PC-id_43041604	485.622	RAODLJDOHIXVSG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148729
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCn1c(n[nH]c1=S)c1ccc(OC)cc1	PC-id_24553555	485.622	PWBBMDATWUMMOK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148730
s1c2CCCCCCc2cc1C(=O)NNC(=O)Cn1c(n[nH]c1=S)c1ccc(OCC)cc1	PC-id_24553556	485.622	PNZQOAJULKLHIP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148731
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1n(nnn1)c1ccccc1)C(=O)OCC	PC-id_24111303	485.622	XMLRJVSEPYAJSN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148732
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1cccnc1)C(=O)OC	PC-id_20126818	485.622	GWUJLJPKKIVORQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-148733
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccncc1)C(=O)OC	PC-id_20126925	485.622	PRTBZBDLHZTISU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-148734
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ncccc1)C(=O)OC	PC-id_20127051	485.622	KWNZKPCKGPHBAL-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-148735
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C=CC(=O)O[C@@H](C2)/C=C(C)/C=C/C=C/CO)/C)C)c1	PC-id_73054992	485.635	WIAZXERQQUCFBV-CUKHTXGZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-148736
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C#CC(=O)O[C@@H](C2)/C=C(/C=C/CCCO)C)/C)C)c1	PC-id_73055579	485.635	XDKFNUGQULIHQD-YGVMLRLYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-148737
Cc1cc(nc(c1CN1CCCc2c(C1=O)c(c(s2)C(C)C1CCN(CC1)C(=O)O)C)OC)C	SCHEMBL20240369,PC-id_134587834	485.639	GDPSLYGSNFRYSM-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-148738
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(OCC)cccc1)C(=O)OCC	PC-id_22199588	485.639	RCMLLJOJKSWLLV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148739
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(OC)ccc1)C(=O)OCC	PC-id_22195080	485.639	GWDBNLINKWTAQH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148740
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1c(OCC)cccc1)C(=O)OC	PC-id_22199553	485.639	AVNOQHFLRLYNBM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148741
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc(OC)ccc1)C(=O)OC	PC-id_22195023	485.639	POHKDCASMLZRHH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148742
O=C1CCN(C(=O)c2c1ccn2CCCCC[NH+]1CCN(CC1)c1ccccc1)Cc1ccccc1	GLL_PC-id_15229179	485.64	RWMROZWZQDEYBA-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-148743
c1(NC(=O)CCC(=O)Nc2ccc(cc2)C(=O)NCCN(CC)CC)sc2c(CCCCC2)n1	EMOLS-id_335127716,MCULE-9144329151	485.642	XHGGCYRJBAXGAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148744
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(CSC2=NCCS2)cccc1)C#N	PC-id_41122484	485.642	BCFUGDAIRCPGKB-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-148745
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCCSc1sc2c(n1)cccc2)C#N	PC-id_16500320	485.642	BSTALATZHRVOOA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-148746
C=CC(=O)Nc1cccc(c1)NC1=NC(=C(C(c2c1scc2)C)C)Nc1ccc(cc1)CN(C)C	SCHEMBL18403970	485.644	QVPJYEUDZWTIGN-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-148747
s1c2CCCCCc2c(c1NC(=O)CSc1sc(Nc2c(OCC)cccc2)nn1)C#N	PC-id_3354806	485.645	YDLHQZQCLPZVOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148748
c1(NC(=S)Nc2ccc(cc2)C(=O)N2CCCCC2)sc2c(CCCCCC2)c1C(=O)OC	ZINC22_2851488,MCULE-5177806024,TIMTEC340222,PC-id_2205218,EMOLS-id_2239195,CoCoCo_989563	485.662	NRFQSKDEOJZECM-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-148749
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(CC(C)C)ccc1C#N)C(=O)OCC	PC-id_23889455	485.662	ZURATLIFNREBDA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-148750
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(CCCC)ccc1C#N)C(=O)OCC	PC-id_23917439	485.662	TXVHGSOTXIHTDH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-148751
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(cc1)C(=O)C)C(=O)OCC	PC-id_20408618	485.662	LABNRPIROIYAOU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148752
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)C(=O)OCC	PC-id_20166796	485.662	MYOWDGJYYHIZDC-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-148753
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(CC(C)C)ccc2c1N)C(=O)OCC	PC-id_23886124	485.662	NBHPNQMPNLPCAT-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-148754
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(CCCC)ccc2c1N)C(=O)OCC	PC-id_24162238	485.662	QQMDJHIMXUWFJC-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-148755
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(c(c(c1C#N)C)C)C)C(=O)OCC	PC-id_23945382	485.662	LCIBTOGGJHIICJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-148756
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(CCC)ccc1C#N)C(=O)OCC	PC-id_23973454	485.662	YGWZBYHFOQCWIQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-148757
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(C(C)C)ccc1C#N)C(=O)OCC	PC-id_24111207	485.662	KSSPQPZEERZYTF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-148758
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(CC(C)C)ccc1C#N)C(=O)OC	PC-id_24028976	485.662	KVKYAZCGVFHDGQ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-148759
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(CCCC)ccc1C#N)C(=O)OC	PC-id_24138474	485.662	UXRBFYBHXREVGK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-148760
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(cc1)C(=O)C)C(=O)OC	PC-id_20408611	485.662	RUDHQGOCANBNMK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148761
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(C(=O)N2CCCC2)cc1)C(=O)OCC	PC-id_20408341	485.662	XIQVQGTVWHFWOB-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-148762
S(=O)(=O)(N(C1CCCCC1)CC)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C#N	PC-id_41149342	485.662	WQBNJPBFZYVEJV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-148763
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(CC(=Cc3ccccc3)C)CCn12	PC-id_74803291,MCULE-3727289343	485.664	AGPSQIUFHFOWSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148764
C/C(=Cc1ccccc1)/CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1	CoCoCo_1154714,PC-id_42435549,CoCoCo_1154716,ZINC22_12157836	485.664	AGPSQIUFHFOWSB-OXIKZWMZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148765
C/C(=Cc1ccccc1)/CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1	ZINC22_12157830,CoCoCo_1154712,CoCoCo_1154710,PC-id_42435545	485.664	AGPSQIUFHFOWSB-QEYQTOMISA-N	00000000100000110101000000000010000000000000000000000000	31-01-148766
CC(C)CC(NC(=O)c1cc(C)cc(C)c1)c1nnc2CCN(C/C(=C/c3ccccc3)/C)CCn12	EMOLS-id_25990191,PC-id_45174367	485.664	AGPSQIUFHFOWSB-JJIBRWJFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148767
CC(C[C@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccccc1)/C)NC(=O)c1cc(C)cc(c1)C)C	CoCoCo_1154709,CoCoCo_1154711	485.664	AGPSQIUFHFOWSB-ZEKHAJRLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148768
CC(C[C@@H](c1nnc2n1CCN(CC2)C/C(=Cc1ccccc1)/C)NC(=O)c1cc(C)cc(c1)C)C	CoCoCo_1154715,CoCoCo_1154713	485.664	AGPSQIUFHFOWSB-VEOZPNHKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148769
c1(c2CCCCCCCCCCc2sc1NC(=O)c1cccc(OCCC)c1)C(=O)OC(C)C	EMOLS-id_4163713,CoCoCo_5826248,TIMTEC282139,ZINC22_20595690,MCULE-7713715369,PC-id_4073946	485.679	LEGXERXMVBJTNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148770
c1(c2CCCCCCCCCCc2sc1NC(=O)c1cccc(OC(C)C)c1)C(=O)OC(C)C	PC-id_4446066,CoCoCo_5826236,MCULE-8259123478,EMOLS-id_4163715,ZINC22_2756305,SPECS-id_AK-968/15363600,TIMTEC91104	485.679	BZFUCIHHTYFGLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148771
c1(c2CCCCCCCCCCc2sc1NC(=O)COc1ccc(cc1C)C)C(=O)OC(C)C	TIMTEC593500,PC-id_3475591,MCULE-4404025848,EMOLS-id_4163711,CoCoCo_6798377,ZINC22_20357055	485.679	ZHSPYZGMRMMONH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148772
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)C1	CoCoCo_4240180,CoCoCo_4240177,PC-id_51620809,ZINC22_22798063	485.685	OHLXSUNGCLHRSI-ZCNNSNEGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148773
C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)C1	PC-id_100810024,CoCoCo_4240184,ZINC22_226516145	485.685	OHLXSUNGCLHRSI-VAMGGRTRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148774
C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)C1	ZINC22_103288288,CoCoCo_4240183,PC-id_98433131	485.685	OHLXSUNGCLHRSI-HSALFYBXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148775
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1	ZINC22_22919979,CoCoCo_4240178,CoCoCo_4240181,PC-id_51624283	485.685	OHLXSUNGCLHRSI-AQNXPRMDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148776
N#Cc1c(NC(=O)[C@@H](N2CCN(CC2)CC(=O)N2C[C@@H](C)C[C@@H](C2)C)C)sc2c1CCCCC2	PC-id_30008423,CoCoCo_4240182,CoCoCo_4240179	485.685	OHLXSUNGCLHRSI-UFYCRDLUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148777
N#Cc1c(NC(=O)C(N2CCN(CC2)CC(=O)N2CC(C)CC(C2)C)C)sc2c1CCCCC2	MCULE-9371415388,EMOLS-id_11784933,PC-id_16341892	485.685	OHLXSUNGCLHRSI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148778
c1(nnc(SCC(=O)Nc2sc3c(CCCCC3)c2C#N)n1CCC)c1csc(C)c1C	ZINC22_20572848,MCULE-6567098291,EMOLS-id_4163721,CoCoCo_6837635,TIMTEC321701,PC-id_17378262	485.688	MWNFJRAQRRABKN-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148779
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CC)C#N	PC-id_19718884	485.688	OHRWDBHBZUAIFE-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148780
s1c2CCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CC)C#N	PC-id_19719038	485.688	VHYIAPAXLSRGIX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148781
s1c2CCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(c(sc1)C)C)C#N	PC-id_19721335	485.688	ZPGHOFLYKMFYHX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148782
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC)C#N	PC-id_17299873	485.688	VLSLSGJEYKCGBQ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148783
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC)C#N	PC-id_19719342	485.688	LKSUPUSGPKYQDP-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148784
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC)C#N	PC-id_19720115	485.688	XXNPEOQUEGPNNL-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148785
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)C)C#N	PC-id_19718006	485.688	MKPJZUIZVLBISL-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148786
s1c2CCCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C)C#N	PC-id_19718141	485.688	JSPLHAKMKQOTMG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148787
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)C)C#N	PC-id_19721491	485.688	ZEDYYTZBEBWXDK-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148788
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC)C#N	PC-id_19718585	485.688	NCICHLPOBFHTAG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148789
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)C)C#N	PC-id_19719193	485.688	DJYQOEQRQNLOTI-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148790
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)C)C#N	PC-id_19719965	485.688	NAUCBOQOGNYNIN-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148791
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC)C#N	PC-id_19720881	485.688	VMWCXKUAYOTXSA-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-148792
C[c+]1ccc(cc2c1[C+](C=c1ccc(=Cc3cc(c4-c3c(C)ccc(c4)C(C)C)C)[nH]1)C=C2C)C(C)C	PC-id_101439613	485.702	XCOVDHFWCPSBAK-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-148793
O/N=C/1CC(C)(C)CCc2c1c(SCC1C=CC=CC=C1)sc2C(=O)NCC1CCNCC1	PC-id_145391297	485.705	RAHLBDOPJDVSEJ-XHLNEMQHSA-N	00000000100010000110000000000010000000000000000000000000	31-01-148794
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(c(ccc1)C)C)C(=O)OCC	PC-id_19655116	485.705	NJLSUQYGNGQVDB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148795
s1c2c(CCCCCC2)c(c1NC(=S)N1CC(N(CC1)c1ccc(cc1)C)C)C(=O)OCC	PC-id_19655348	485.705	AAHAKHFOZJKSCF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148796
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccc(cc1)C)C(=O)OCC	PC-id_20175348	485.705	RHRHWMMCRJQZOL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148797
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(cccc1)C)C(=O)OCC	PC-id_20175603	485.705	AXPGIQSDNLYJCF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148798
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(CN2CCCCC2)cc1)C(=O)OCC	PC-id_20170965	485.705	FCDTVTKGDXRMEW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-148799
s1c2c(CCCCCC2)c(c1NC(=S)NC1CCN(CC1)Cc1ccccc1)C(=O)OCC	PC-id_19654261	485.705	IEUXITSLMPIMNN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-148800
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)CC)C#N	PC-id_20125884	485.708	YPSBAWWVJOMISU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-148801
Cc1ccc(cc2-c1c(C=CC=C[CH+]/C=C/c1cc(c3-c1c(C)ccc(c3)C(C)C)C)cc2C)C(C)C	PC-id_119078572	485.721	UFJKMOVCJUBSLZ-JHAJDUDOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-148802
OCCCONC(=O)C1=C(Nc2ccc(cc2Cl)Br)C(F)C=c2c(=C1)n(C)cn2	PC-id_142808192	485.735	PQXLNICPLPDYJS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-148803
C1CN(Cc2c(c(nn2C1)C(=O)O)Cl)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16094360,PC-id_86345711	485.765	VYGBFYNNXRFQOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148804
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCNCC2)cc(c1)C(F)(F)F	SCHEMBL16129852,PC-id_117616654	485.887	ZYTMGZLUJQJXQP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148805
CNC1CN(C1)C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700459	485.887	IWTGTQCUBOTOQQ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-148806
C(C(=O)OC)(C(F)(F)F)(NC(=O)c1ccc(cc1)Cl)Nc1sc2c(CCCCC2)c1C#N	STOCK1S-75009,MCULE-4751570408,EMOLS-id_4406629,PC-id_4519716	485.907	YPBDGGGCZISJPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148807
Clc1c2c(sc1C(=O)OC)cc(NC(=O)Cn1nc(c3c1CCCCC3)C(F)(F)F)cc2	PC-id_19523805	485.907	WPHJVAMYCHQTMV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-148808
COC(=O)[C@](NC(=O)c1ccc(Cl)cc1)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	PC-id_1905520,ZINC22_2281905	485.907	YPBDGGGCZISJPA-FQEVSTJZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148809
COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	PC-id_1905521,ZINC22_2281906	485.907	YPBDGGGCZISJPA-HXUWFJFHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148810
F[C@@H]1C[C@H](N(C1)C(=O)Cc1cc(c2-c1ccccc2)C(=O)N)C(=O)NCc1cccc(c1F)Cl	SCHEMBL17035474,PC-id_118332617	485.91	VBEWNLWNBVVIOU-IERDGZPVSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148811
N#Cc1c(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)sc2c1CCCCC2	EMOLS-id_3449223,MCULE-7490508929,ZINC22_9545824,PC-id_4242682,CoCoCo_3135319	485.934	UXPSJKLHOKIYJQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-148812
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4cc5OCOc5cc4Cl)CCn23)cc1	ZINC22_12167314,ChEMBL-DNDi_CHEMBL36891195,MCULE-3778183785,PC-id_42441778,CoCoCo_1333635,CoCoCo_1333636,EMOLS-id_20543197	485.938	AHHYULIEHOKJSJ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-148813
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	EMOLS-id_20567133,PC-id_45208850,MCULE-4553599128	485.963	ZPZSKNHYTJSFBK-UHFFFAOYSA-N	00000010101000100101000000001010000000000000000000000000	31-01-148814
CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	CoCoCo_1368805,PC-id_26342143,ZINC22_14987592,CoCoCo_1368806	485.963	ZPZSKNHYTJSFBK-GOSISDBHSA-N	00000010101000100101000000001010000000000000000000000000	31-01-148815
CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	CoCoCo_1368808,CoCoCo_1368807,ZINC22_14987595,PC-id_26342147	485.963	ZPZSKNHYTJSFBK-SFHVURJKSA-N	00000010101000100101000000001010000000000000000000000000	31-01-148816
Clc1c(NC(=O)C(n2nc(cc2C)C)C)ccc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c1	PC-id_56166320	485.967	QAPJUFXZNHXXQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148817
Clc1c(S(=O)(=O)N2CCc3c2cccc3)cc(C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_60520606	485.986	NYRPUJJVPVJPRU-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-148818
Clc1ccc(cc1)C(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)OC(=O)c1ccccc1	PC-id_101540496	486.001	SPBUNPHUKWCFNS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148819
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3cccc(Cl)c3)CCn12	MCULE-1249229815,EMOLS-id_20562987,PC-id_45207903	486.006	JZHFGXMFENIHGG-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148820
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(c4ccc(cc4)Cl)o3)CCn12	MCULE-5559330881,EMOLS-id_20396310,PC-id_45169556	486.006	MTSXHBVVRJOOHV-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-148821
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cccc(Cl)c2)CC3)o1	CoCoCo_1362812,ZINC22_12282301,PC-id_42501347,CoCoCo_1362811	486.006	JZHFGXMFENIHGG-OAQYLSRUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148822
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cccc(Cl)c2)CC3)o1	ZINC22_12282299,PC-id_42501345,CoCoCo_1362813,CoCoCo_1362814	486.006	JZHFGXMFENIHGG-NRFANRHFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148823
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(c3ccc(Cl)cc3)o1)CC2	CoCoCo_1126872,PC-id_30852577,ZINC22_23129094,CoCoCo_1126871	486.006	MTSXHBVVRJOOHV-NRFANRHFSA-N	00000000101000110101100000000010000000000000000000000000	31-01-148824
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(c3ccc(Cl)cc3)o1)CC2	ZINC22_23129095,PC-id_30852578,CoCoCo_1126869,CoCoCo_1126870	486.006	MTSXHBVVRJOOHV-OAQYLSRUSA-N	00000000101000110101100000000010000000000000000000000000	31-01-148825
N#Cc1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)Cl)sc2c1CCCCC2	GD-id_ZINC20570822	486.006	KSXZRCPACRVPME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148826
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNCc1cc(ccc1)Cl)Cc1ccccc1	PC-id_134805268	486.008	VOSFNARQDHGVIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148827
Clc1c(NC(=O)CSc2n3CCCCCc3nn2)cc(S(=O)(=O)N2CCOCC2)cc1	PC-id_29512088	486.008	CGSGEPWWSNLWSP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148828
Clc1ccc(n2c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nc(=O)cc2N)cc1	PC-id_4548063	486.009	DJDBDUYAPIRNII-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148829
Clc1ccc(C(N2CCc3sccc3C2)CNC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_55717432	486.029	WTIWZXNBVXPOLL-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-148830
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2c(C(OC)CN(CC2)C)c1)CO	PC-id_77997432	486.048	NNLNVJKXWXTRLY-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-148831
ClC1=CCC(S1)C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1sc2c([C@@H](OC)CN(CC2)C)c1)CO	SCHEMBL14044893,PC-id_71055889	486.048	NNLNVJKXWXTRLY-MYSBBUPESA-N	00000011100000000100000000000010000000000000000000000000	31-01-148832
Clc1c(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)cccc1	PC-id_19728165	486.053	PUYZQRXTPBMHRD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148833
Clc1cc(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)ccc1	PC-id_19728483	486.053	USEGVHWYYDILGY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148834
Clc1cc(c2n(c(SC(C(=O)Nc3sc4CCCCCc4c3C#N)C)nn2)CC)ccc1	PC-id_24498642	486.053	NGQNFQRCMYYSCU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148835
Clc1ccc(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)cc1	PC-id_19728696	486.053	IGHVXORBQUGKFK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148836
Clc1ccc(c2n(c(SC(C(=O)Nc3sc4CCCCCc4c3C#N)C)nn2)CC)cc1	PC-id_24496603	486.053	ZTJBOJNJMRGDKD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148837
Clc1ccc(Cc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc1	PC-id_20124147	486.053	BHDYIDMGHLVXPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148838
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc1	PC-id_20124034	486.053	VWOLDAIIMHEXRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148839
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)C(C#C)(C(F)(F)F)O	PC-id_155061971	486.062	WGBXPRIBOLMLPQ-IKJXHCRLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148840
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)C(C#C)(C(F)(F)F)O	PC-id_155257995	486.062	WGBXPRIBOLMLPQ-PIVQAISJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148841
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)C(C#C)(C(F)(F)F)O	PC-id_155257965	486.062	WGBXPRIBOLMLPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148842
CCCCCCCCCCCCOC(=O)C1CCCCn2c1ccc2C(=O)c1ccccc1Cl	SCHEMBL11204504,PC-id_20483992	486.086	XTNBZOCATFKPJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148843
CC(C)[C@H]1C(=O)O[C@@H](CC(=O)NCC2=NC(=CS2)C(=O)OC(C(=O)N1)(C)N)/C=C/CCCl	PC-id_155259135	486.134	FDOCHEUPHCWZFI-KBPSEXPFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148844
CC1=C(N2CCCCCC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155278665	486.135	FCUNJYXZANEKHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148845
Brc1c2-c(c(c1P(=O)(c1ccccc1)c1ccccc1)Br)ccccc2	CT-id_4083661,PC-id_102085799,4083661_OpenMolecule	486.136	MSPORWGKAJOIJN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148846
CC(C)[C@H]1C(=O)O[C@@H](CC(=O)NCC2=NC(=CS2)N(NC(C(=O)N1)(C)C)[O-])/C=C/CCCl	PC-id_163807905	486.158	CIFZNGFSUIJMSS-FDOGZAMYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148847
C/C(=CC(=C/C(=C)[C@@H]1CCCCn2c1nc(n2)Nc1cc(c(cc1)n1cc(nc1)Cl)OC)F)/F	PC-id_163810125	486.175	NMNAQIZLSAYQEK-YRUILMCXSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148848
C1CN(Cc2cc(nn2C1)Br)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16102491,PC-id_90462725	486.206	AVWFLAYYPRVUGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148849
CCC1=C(N=C2C(=C(C1)OC3=CC=CC(=C3)NC(=O)C=C)C=CN2)NC4=CC=C(C=C4)OCCOC	PC-id_149122296	486.227	QZTMBXMFUANWEY-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-148850
O=CNC1=C(F)CC=c2c(=CC1)n(SI)c(c2)C(=O)/C(=C/N(C)C)/C#N	PC-id_145211712	486.302	IHMCJJYZMQQOCL-JEXYVBLTSA-N	00000000100000000110000000000010000000000000000000000000	31-01-148851
Clc1cc(Cn2ncc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)c2)ccc1Cl	PC-id_19523873	486.318	XMMSSSUQTSQVOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148852
Clc1c(Cn2nc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)cc2)c(Cl)ccc1	PC-id_19523761	486.318	HVNBXBGHQLZDQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148853
Clc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2ccc(Cl)cc2)c1	PC-id_19523766	486.318	MVYWRFWPKXPVMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148854
Clc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2c(Cl)cccc2)c1	PC-id_19523726	486.318	XMYUKKABNONMEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148855
Brc1oc(C(=O)N(c2c(C(=O)NCCc3n4CCCCCc4nn3)cccc2)C)cc1	PC-id_60551270	486.362	QOEBSQOMWBQDJR-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-148856
CCOP(=O)(N(C(=O)Cc1ccc2-c(cc1)c(c(c2OC(=O)O)N)OC(=O)O)OC)OCC	SCHEMBL7305717	486.366	JZFKXSNTGQDCAN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-148857
Clc1c(OCC(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_4563911	486.366	HYOZPNATSTWPNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148858
C1CN(Cc2cc(nn2C1)S(=O)(=O)N)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90461026,SCHEMBL16100380	486.389	HRBMHSGCPUKKTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148859
Ic1ccc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_20408905	486.39	FBBOWCGBKJIETF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148860
Ic1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1	PC-id_20409288	486.39	AJWHAZIECFGWQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148861
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)NC(CC(C)(C)C)C(=O)N	PC-id_76571566	486.403	XAEPXEOJTMREDX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148862
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)NC(CC(C)C)C(=O)NC	PC-id_66931879,SCHEMBL1174571	486.403	GUULSEPBDVGVOG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148863
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)NC(C(C)(C)C)C(=O)NC	PC-id_76571582	486.403	MHXSLMIRUWEKBC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148864
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N	PC-id_57635506,SCHEMBL12882798	486.403	XAEPXEOJTMREDX-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148865
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)N[C@@H](CC(C)C)C(=O)NC	PC-id_57635572,SCHEMBL1174572	486.403	GUULSEPBDVGVOG-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148866
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)NC	PC-id_57635684,SCHEMBL12883462	486.403	MHXSLMIRUWEKBC-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148867
Brc1c2/C(=C/c3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)/C(=O)Nc2ncc1	PC-id_25130624	486.405	FBGOOKAMULRBBE-SQFISAMPSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148868
Brc1c2C(=Cc3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)C(=O)Nc2ncc1	PC-id_74390260	486.405	FBGOOKAMULRBBE-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148869
Brc1cc2/C(=C/c3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)/C(=O)Nc2nc1	PC-id_25114483,SCHEMBL3139792	486.405	SEUKRLOAOWOIMI-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-148870
Brc1cc2C(=Cc3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)C(=O)Nc2nc1	PC-id_68526173	486.405	SEUKRLOAOWOIMI-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148871
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C
/C(=O)Nc2c1cc(Br)cn2)CC	SCHEMBL14136726	486.405	SEUKRLOAOWOIMI-SFQUDFHCSA-N	00000010100000100100000000001010000000000000000000000000	31-01-148872
O=C(NCc1nnc2n1CCCCC2)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1	ZINC22_13011141,PC-id_24676666,EMOLS-id_20081815,CoCoCo_3865685,MCULE-9464962459	486.415	CNAQRKOOIGAEJY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148873
COc1cc(ccc1OC(=O)c1cc(F)c(c(c1F)F)F)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3825011,PC-id_6143248	486.418	AKUDZRZMNVFVPW-NTEUORMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148874
COc1cc(ccc1OC(=O)c1cc(F)c(c(c1F)F)F)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3825012,PC-id_75363224	486.418	AKUDZRZMNVFVPW-ZROIWOOFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148875
COc1cc(ccc1OC(=O)c1cc(F)c(c(c1F)F)F)C=C(c1nnc2n1CCCCC2)C#N	PC-id_4536348,EMOLS-id_44490455,MCULE-9837344047	486.418	AKUDZRZMNVFVPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148876
c1(NC(=S)NC(=O)C(C)Oc2ccc(cc2Cl)Cl)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_1573700,SPECS-id_AN-153/I242274,MCULE-9651062029,PC-id_4335902	486.435	DQMAALAFYFISHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148877
CC(CCCC1(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)COc2c(OC1)csc2)C	PC-id_122223593	486.435	UCYWVMSSOPQXEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148878
CCCCCCC1(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)COc2c(OC1)csc2	PC-id_102334789	486.435	YVSSQIGRGNLOIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-148879
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	CoCoCo_6228267,ZINC22_16322261,PC-id_27059828	486.435	DQMAALAFYFISHR-SNVBAGLBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148880
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	ZINC22_16322263,CoCoCo_6228268,PC-id_27059829	486.435	DQMAALAFYFISHR-JTQLQIEISA-N	00000000100000110100000000000010000000000000000000000000	31-01-148881
CCN(CCN1CCCCc2c(N1)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(Br)cc2)CC	PC-id_145511761	486.448	RWKJNNRLFIMLTL-CYVLTUHYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-148882
CCOC1=NC(=C(C)CCc2c1c(Br)c([nH]2)CC)C(/C(=C/C)/C=c
/nnn(c1=C)C)C	PC-id_144154855	486.448	YFVCDFHYRVVGQD-VVLMGAGCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-148883
Brc1cc(S(=O)(=O)N2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)ccc1	PC-id_27079763	486.449	WHZONVWASKJVGU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148884
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nc(c2ccc(OC(F)F)cc2)c1	PC-id_19523781	486.458	OUERTZOAWAXTQV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148885
COC(=O)c1c(NC(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)sc2c1CCCCC2	MCULE-7485023850,ZINC22_10021557,CoCoCo_2980438,PC-id_16288748,EMOLS-id_11703633	486.461	CCSOCAQNBLTHFE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-148886
CC1ON=C(C1)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C	SCHEMBL21337415,PC-id_139471418	486.465	GFRRBRGCYGLFPD-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-148887
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C(=O)O)C(=O)O	PC-id_19822342,SCHEMBL9652474	486.473	IPKVKKLQMADSCQ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-148888
CCC1=C(C(=O)NC(C)C)c2n[nH]c(c2C(CN1C(c1ccc(c(c1)F)F)O)(C)C)C(F)(F)F	PC-id_145409535	486.478	YIPKOSUBVBEFIE-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-148889
C1CC(CCC1Nc1nc(c(cc1)C(=O)c1c[nH]c2c1C(=NC1CC(=O)NC1)CC=CN2)F)(F)F	PC-id_137232717	486.49	KGCPUEFFJKSLFN-UHFFFAOYSA-N	00000010100010101110000000000010000000000000000000000000	31-01-148890
O=C1NCC(C1)NC1=c2c(=NC=CC1)[nH]cc2C(=O)c1ccc(nc1F)NC1CCC(CC1)(F)F	SCHEMBL19366471	486.49	YBYBPQTZTONAFF-UHFFFAOYSA-N	00000010100010101110000000000010000000000000000000000000	31-01-148891
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(c(c1C(=O)N)C)C(=O)OCCC	PC-id_19523636	486.508	CNDWUUXEXMDOJD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148892
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(c(c1C(=O)N)C)C(=O)OC(C)C	PC-id_19523640	486.508	RZQFSZBIAXIFNG-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-148893
S(=O)(=O)(N1CCOCC1)c1ccc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)cc1	PC-id_19523693	486.508	STRPLDOERKZJLD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148894
CCOC(=O)c1c(nc2-c1ccccc2)Nc1c(C(=O)OCC)c2-c(c1C(=O)OCC)ccccc2	PC-id_101582080	486.516	JHWOOHDNDLVITB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-148895
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOC(=O)N1CCN(CC1)C	SCHEMBL6881723,PC-id_23296716	486.518	OZTKSUQFSDCTDL-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-148896
N/N=CN(c1ccc(cc1)CC(=O)N1CCN(C(C1)C(F)F)CCC1=Cc2nonc2C=CC1)N	PC-id_144373063	486.518	IQNYBTSEGVPLOJ-MBTHVWNTSA-N	00000000100010110111000000000010000000000000000000000000	31-01-148897
O=CON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)N1CCN(CC1)C	PC-id_56985239,SCHEMBL6881728	486.518	VGIPFBCJSPTAPL-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-148898
O=C(COc1ccc(cc1C1CC1)C#N)N1CCc2cc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1	SCHEMBL17112943,BindingDB-id_913864,PC-id_118394507	486.526	TTWYWZFETSEMJI-UHFFFAOYSA-N	00100000100010110101100000010010000000000000000000000000	31-01-148899
s1c2CCCCCc2c(c1N=C([O-])c1c(NS(=O)(=O)c2cc(F)c(F)cc2)cccc1)C#N	PC-id_2374702	486.534	RAMOGGGAXSYWIP-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-148900
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1ccc(cc1)F)CCOc1ccccc1	PC-id_134804849	486.537	GTWFEIHEULKMMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148901
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1cc(ccc1)F)CCOc1ccccc1	PC-id_134806595	486.537	DDUILQRDRGVBTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148902
COc1ccccc1OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1F	PC-id_134806267	486.537	LTBWJIPSSSGFSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148903
OCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O)C	PC-id_139605596	486.537	HDTLBNWURHPVSA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148904
OC(=O)c1cc(c2-c1ccc(cc2)C(O)(C)C)CCCCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_139605618	486.537	KDWHPAMQTPQIPU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-148905
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCCC(=O)NCCN2CCOCC2)cc1	MCULE-2670291872,PC-id_46049832,EMOLS-id_25388508	486.539	ZBFHBVZHFKWKKZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148906
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NCCN2CCOCC2)C)cc1	MCULE-5537157980,PC-id_46049810,EMOLS-id_25387768	486.539	WDOMMFMSWXZOPO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148907
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCCN2CCOCC2)C)cc1	PC-id_46049795,EMOLS-id_25387472,MCULE-5358503626	486.539	IDVGBGSSCWROML-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148908
O=C([C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)NCCN1CCOCC1	PC-id_92985963	486.539	IDVGBGSSCWROML-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148909
S(C1(SCC)CCN(CCCN2CCN(CC2)c2ccccc2)C(=O)c2c1n(cc2)C)CC	PC-id_22738039	486.736	MASPBVRRXXKGSK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149017
O=C([C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C)NCCN1CCOCC1	PC-id_92985964	486.539	IDVGBGSSCWROML-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148910
O=c1n(c2-c(c1C(=C1C3=CC=CC=CC3=[N+](C1=O)C)c1c3-c(n(c1=O)C)ccccc3)ccccc2)C	PC-id_10627798	486.541	DAAUQZJUSYGRCB-UHFFFAOYSA-N	00000011100000000110000000000110000000000000000000000000	31-01-148911
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)N)cc1)C(=O)OCC	PC-id_4346729	486.541	UKQHVYCTWZFGOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148912
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N)cc1)C(=O)OCC	PC-id_9658576	486.541	UKQHVYCTWZFGOF-BRJLIKDPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148913
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC(=O)N)ccc1)C(=O)OCC	PC-id_4525812	486.541	RGCGZNRAAHMJPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148914
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC(=O)N)ccc1)C(=O)OCC	PC-id_9675613	486.541	RGCGZNRAAHMJPN-BRJLIKDPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148915
Fc1ccc(cc1)C(=O)NCCc1nnc2n1CC[N@@H+](CC2)Cc1cccc(c1)Oc1ccccc1	GD-id_ZINC12190424,PC-id_42451416	486.561	QTQQCFWNZVXDEZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148916
Fc1cc(C(=O)NCc2n3CC[NH+](CCc3nn2)Cc2ccc(OCc3ccccc3)cc2)ccc1	PC-id_42372379	486.561	YWLIUJBPMYHEDC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-148917
O(Cn1c2C(=Cc3cc(c(OC)c(c3)C)C)C(=O)N(C=Cc2nc1N(C)C=O)C)Cc1ccccc1	PC-id_49836853	486.562	BXZWYSAWCMXFBZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-148918
C[C@@H](C(=O)OCC(=O)Nc1c(c2c(s1)CCCCC2)C#N)N=C1c2ccccc2S(=O)(=O)N1	PC-id_136014205	486.564	SMEAKYMQYIBLBD-ZDUSSCGKSA-N	00000010100000100101000000001010000000000000000000000000	31-01-148919
N#Cc1c(NC(=O)COC(=O)CCNC2=NS(=O)(=O)c3ccccc23)sc2c1CCCCC2	EMOLS-id_3316379,PC-id_135534178,CoCoCo_2877501,ZINC22_3443237,MCULE-4411404078	486.564	ZAPKETUSTULAFK-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-148920
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(NC1=NS(=O)(=O)c2c1cccc2)C)C#N	PC-id_76270122	486.564	SMEAKYMQYIBLBD-UHFFFAOYSA-N	00000011100000100101000000001010000000000000000000000000	31-01-148921
O=C([C@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCc1cccnc1	PC-id_92986939	486.565	BFHKKTSWIJLZTB-HSZRJFAPSA-N	00000000100010111101000000000010000000000000000000000000	31-01-148922
O=C([C@@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCc1cccnc1	PC-id_92986940	486.565	BFHKKTSWIJLZTB-QHCPKHFHSA-N	00000000100010111101000000000010000000000000000000000000	31-01-148923
O=C(N(C1CC1)CCC(=O)NCc1cccnc1)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049643	486.565	UINDYNZOAAUUJR-UHFFFAOYSA-N	00100000100000111101000000000010000000000000000000000000	31-01-148924
O=C(N(C1CC1)CCC(=O)NCc1ccncc1)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46049948	486.565	NWDFLWPBVDSJBQ-UHFFFAOYSA-N	00100000100000111101000000000010000000000000000000000000	31-01-148925
O=C(NCc1cccnc1)C1CCCCN1C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-1499145552,PC-id_46049487,EMOLS-id_25387490	486.565	BFHKKTSWIJLZTB-UHFFFAOYSA-N	00000000100010111101000000000010000000000000000000000000	31-01-148926
O=C(NCc1cccnc1)C1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049494	486.565	PHXAEQJXZBVXAV-UHFFFAOYSA-N	00000000100010111101000000000010000000000000000000000000	31-01-148927
c1(NC(=O)CCCSc2nc(C)cc(n2)C(F)(F)F)sc2c(CCCCCC2)c1C(=O)N	MCULE-9407160113,CoCoCo_1951484,EMOLS-id_6769409,ZINC22_3670043,PC-id_5145167	486.574	RELKXWNFMPUWPI-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-148928
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(OCC)c(OCC)c(OCC)c1)C#N	PC-id_4679939	486.58	VJQNBZNJRNWBMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148929
C[C@H](Oc1ccccc1F)c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1	ZINC22_9481033,CoCoCo_4180287,PC-id_41089417	486.582	DNNVXPGTHRNDPK-UONOGXRCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148930
C[C@H](Sc1nnc([C@H](C)Oc2ccccc2F)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_25400850,ZINC22_12620118,CoCoCo_4180288	486.582	DNNVXPGTHRNDPK-KBPBESRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148931
C[C@@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41089420,CoCoCo_4180286,ZINC22_9481040	486.582	DNNVXPGTHRNDPK-ZIAGYGMSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148932
C[C@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_9481027,CoCoCo_4180289,PC-id_41089415	486.582	DNNVXPGTHRNDPK-KGLIPLIRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148933
N#Cc1c(NC(=O)C(Sc2nnc(o2)C(Oc2ccccc2F)C)C)sc2c1CCCCC2	MCULE-7729562877,PC-id_17548896,EMOLS-id_11912133	486.582	DNNVXPGTHRNDPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148934
s1c2CCCCCc2c(c1NC(=O)CCC(=O)OCC(=O)c1ccc(c2ccccc2)cc1)C#N	PC-id_19059652	486.582	CJWVWUZQTTVIBE-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-148935
CC(CC(C(=O)NC1Cc2cnc(s2)CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21110408,PC-id_138731248	486.584	VBSYLBUEPINKKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148936
CC(CC(C(=O)NC1Cc2ncsc2CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21109361,PC-id_138730210	486.584	LZNOHUNJMJUFTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148937
CC(CC(C(=O)NC1Cc2nsc(c2)CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21109521,PC-id_138730367	486.584	YEFLJXXLHZFRFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148938
CC(CC(C(=O)NC1CCc2csc(n2)CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730248,SCHEMBL21109400	486.584	DXLBKVRZBFRMIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148939
CC(CC(C(=O)NC1CCc2snc(c2)CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21109549,PC-id_138730395	486.584	QYWIMKPKWJGXRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148940
O=C(NC(C(=O)NC1Cc2nsc(c2)CCCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109859,PC-id_138730702	486.584	CBGQGHZXUHODFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148941
O=C(NC(C(=O)NC1CCc2ncc(s2)CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730336,SCHEMBL21109490	486.584	ANGZALARTCPPHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148942
O=C(NC(C(=O)NC1CCc2nsc(c2)CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730391,SCHEMBL21109545	486.584	JKBFJUKQAPYVLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148943
O=C(NC(C(=O)NC1CCc2scc(n2)CCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731189,SCHEMBL21110349	486.584	NJLKCKKGCSPWNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148944
O=C(NC(C(=O)NC1CCCc2ncsc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730645,SCHEMBL21109800	486.584	UVWURMBGQYRMMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148945
O=C(NC(C(=O)NC1CCCc2nsc(c2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110099,PC-id_138730941	486.584	XCCRUGCEMHXERW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148946
O=C(NC(C(=O)NC1CCCc2scc(n2)CCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21110350,PC-id_138731190	486.584	IJYBEAVGUGVXJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148947
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_22198591	486.584	ACOUJSUHOFZJSN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148948
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_22198546	486.584	SNUUUUYRIRVLLO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148949
O(c1ccc(C[NH+]2CCn3c(nnc3CNC(=O)c3c(oc(c3)C)C)CC2)cc1)Cc1ccccc1	PC-id_42369655	486.585	FJKZXSJUFQWHPT-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148950
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)c1oc(cc1)COC	PC-id_42329848	486.585	JTCHGQTVGVOMPM-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-148951
O=C(NCc1n2CC[NH+](CC(c3ccccc3)c3ccccc3)CCc2nn1)c1oc(cc1)COC	PC-id_26353109	486.585	VVXGMIAYYLYLNX-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-148952
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1n(N)c(nn1)COc1ccc(F)cc1)C)C#N	PC-id_27093971	486.585	BLRINLRDCBHYNX-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148953
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1n(N)c(nn1)COc1ccc(F)cc1)C)C#N	PC-id_27093972	486.585	BLRINLRDCBHYNX-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148954
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(N)c(nn1)COc1ccc(F)cc1)C)C#N	PC-id_24519919	486.585	BLRINLRDCBHYNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148955
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(N)c(nn1)COc1c(F)cccc1)C)C#N	PC-id_24497024	486.585	OGOFBALLWVJCTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148956
CC1(C)C(=O)CCC(=O)C(C)(C)C(=O)CCC(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)CCC1=O	TIMTEC351327,ZINC22_4552040,PC-id_4655385,MCULE-3417212008,MS2_S51765	486.597	ODOGZMXJRYATQH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-148957
COC(=O)c1cc(c2-c1ccccc2)C(c1cn(c2c1cccc2)CC)c1cn(c2c1cccc2)CC	PC-id_101384746	486.603	GEASDEZNNRRGMB-UHFFFAOYSA-N	00000010100000100110000001100010000000000000000000000000	31-01-148958
ONC(=O)[C@H]1[C@H](CCc2ccccc2)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966472	486.604	ZBHZZBBHEBNPIF-FYYLOGMGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148959
s1c2CCCCCc2cc1C(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)c(OC)cc1	PC-id_24487164	486.604	UNAZGCAPMNNYHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148960
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)CCCc1sc2c(n1)cccc2)C(=O)OC	PC-id_4650508	486.604	PLQZQPXQFGYPCN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-148961
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_54538273	486.604	ZBHZZBBHEBNPIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148962
S(=O)(=O)(N1CC(c2c(scc2)CC1C(=O)NO)CCc1ccccc1)c1ccc(OC)cc1	PC-id_76472708	486.604	VQJNAORMLRKGGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148963
S(=O)(=O)(N1C[C@@H](c2c(scc2)C[C@H]1C(=O)NO)CCc1ccccc1)c1ccc(OC)cc1	PC-id_57055180	486.604	VQJNAORMLRKGGH-AVRDEDQJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-148964
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)Cc3ccc(c(OC)c3)OC)CCn12	PC-id_45168829,EMOLS-id_20393120,MCULE-9669086585,ChEMBL-DNDi_CHEMBL10702257	486.607	QOQPBULUJLOVQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148965
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3cc(OC)c(cc3OC)OC)CCn12	MCULE-9437636010,EMOLS-id_20437231,PC-id_45179058	486.607	LTQKUESUQVLXFF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148966
COc1ccc(CC(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1OC	PC-id_42246198,CoCoCo_1122596,ZINC22_11880414	486.607	QOQPBULUJLOVQI-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-148967
COc1ccc(CC(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1OC	ZINC22_11880413,PC-id_42246196,CoCoCo_1122595	486.607	QOQPBULUJLOVQI-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148968
COc1cc(OC)c(OC)cc1CN1CCc2nnc([C@@H](C)NC(=O)C3CCN(C)CC3)n2CC1	CoCoCo_1182716,PC-id_42455346,CoCoCo_1182715,CoCoCo_1182718,ZINC22_12195248,CoCoCo_1182717	486.607	LTQKUESUQVLXFF-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148969
COc1cc(OC)c(OC)cc1CN1CCc2nnc([C@H](C)NC(=O)C3CCN(C)CC3)n2CC1	CoCoCo_1182719,CoCoCo_1182721,CoCoCo_1182720,PC-id_42455350,CoCoCo_1182722,ZINC22_12195253	486.607	LTQKUESUQVLXFF-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148970
COC(=O)c1c(NC(=O)CSc2nc(COc3ccccc3C)n[nH]2)sc2c1CCCCC2	EMOLS-id_3345306,CoCoCo_3118672,MCULE-7533415810,CoCoCo_3118671,ZINC22_3417772,PC-id_2536854,CoCoCo_3118674,CoCoCo_3118673	486.607	GQWHSIQDHVAPNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148971
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)C)C(=O)OC	PC-id_19730738	486.607	MZPABGRKIPISOZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148972
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)C)C(=O)OC	PC-id_17270368	486.607	SYDHNWPAQZNODM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148973
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)CC=C)C(=O)OC	PC-id_19726226	486.607	VATYGMIKXGAUMT-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-148974
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)C)C(=O)OC	PC-id_19730341	486.607	VDXPNKADPZZBIV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148975
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1occc1)CC=C)C(=O)OCC	PC-id_19724321	486.607	LCWBFZWBPVSCIM-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-148976
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)C)C(=O)OC	PC-id_19733172	486.607	RDSOTPGKYQPUDZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148977
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1occc1)CC=C)C(=O)OC	PC-id_19724271	486.607	ZSPCRPUUJQSSRD-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-148978
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1ccc(cc1)C#N	PC-id_55413836	486.607	YUZFLICCRNNTOD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-148979
Cc1c(cc(cc1)C(c1c(c2c(cc1)n(nn2)C)C)C(C)(C)C(=O)O)CN1CCCn2cncc2C1	PC-id_135149345,SCHEMBL20297244	486.609	FFTFNZVHAOAPHE-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-148980
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccc(F)cc1)C)C(=O)OC	PC-id_19677160	486.625	IFZZTZBPWXIWQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148981
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(F)ccc1)C)C(=O)OC	PC-id_20171180	486.625	IEOKHWDHSCAUOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148982
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(F)cccc1)C)C(=O)OC	PC-id_20172318	486.625	UUWSYPADZGDPMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148983
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1ccc(F)cc1)C(=O)OCC	PC-id_19677220	486.625	BJVOLRITADSFIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148984
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1c(F)cccc1)C(=O)OCC	PC-id_20168620	486.625	JXDTUWVWGUFPJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148985
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(F)cc2)cc1)C(=O)OCC	PC-id_20166531	486.625	KAFFJQVQPLTIQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148986
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)cccc2)cc1)C(=O)OCC	PC-id_20168737	486.625	NBTPDMRPEPWPEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-148987
s1c2CCCCCc2nc1NC(=O)CCc1n(CC(C)C)c2c(n(CCCC)c(=O)[nH]c2=O)n1	PC-id_24603983	486.63	JTJLLPBPNBTJNU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-148988
Cc1ccc(c(c1)C)C(=O)NCCc1nnc2n1CCN(CC2)Cc1cnc(s1)c1ccccc1	CoCoCo_1126406,CoCoCo_1126407	486.632	GUFPQLYFXICNSJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-148989
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CC2)ccc1)CC)C(=O)OC	PC-id_18908909	486.647	FYACMKRMPUWGCK-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-148990
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CC2)ccc1)C)C(=O)OCC	PC-id_18908844	486.647	AHZOFMZKEJUPAE-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-148991
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CC2)ccc1)C)C(=O)OC	PC-id_18908845	486.647	GBUMNENBCCACOJ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-148992
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C2CC2)ccc1)C(=O)OCC	PC-id_18908879	486.647	UFNWCZRBAJYXQA-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-148993
COC1CCN(C(=O)c2c1n(Cc1ccccc1)cc2C)CCCN1CCN(CC1)c1ccccc1	PC-id_22738029,SCHEMBL6773622	486.648	JKKVCXJUTGVJHM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148994
N#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)Cc3ccccc3)CC2)sc2c1CCCCC2	ZINC22_13117795,PC-id_16323737,EMOLS-id_11757678,CoCoCo_3598188,MCULE-5639437506	486.65	LEYBKQNLTOYEJL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148995
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCCC2)c1C#N)c1ccc(cc1)C	PC-id_22197162	486.65	FVIMNHJMIPTCGK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-148996
Cc1ccccc1c1cccc(CN2CCc3nnc(CCNC(=O)[C@@H]4CCCN(C)C4)n3CC2)c1	CoCoCo_1539141,CoCoCo_1539144,ZINC22_20235410,PC-id_25293977,CoCoCo_1539143,CoCoCo_1539142	486.652	KIGATMGLBQJYPY-RUZDIDTESA-N	00000000100010110101100000000010000000000000000000000000	31-01-148997
Cc1ccccc1c1cccc(CN2CCc3nnc(CCNC(=O)[C@H]4CCCN(C)C4)n3CC2)c1	PC-id_25293979,CoCoCo_1539139,CoCoCo_1539138,CoCoCo_1539137,ZINC22_20235414,CoCoCo_1539140	486.652	KIGATMGLBQJYPY-VWLOTQADSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148998
CN1CCCC(C1)C(=O)NCCc1nnc2CCN(Cc3cccc(c3)c3ccccc3C)CCn12	PC-id_45235555,EMOLS-id_20679625,MCULE-4903589593,ChEMBL-DNDi_CHEMBL74255952	486.652	KIGATMGLBQJYPY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-148999
CN(C/C=C(/C=C/[C@H]1OC(=O)/C=C/C=C(/C)C[C@H](C)OC(=O)CCCCc2nc(C1)sc2)C)C	PC-id_102502178	486.667	KPJYSYOVVLOZMH-WPHTZTSLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-149000
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(C(=O)OCCC(C)C)cccc1	PC-id_30377282	486.667	AMGKJIBBKNLUOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149001
CC(C[C@@H](c1nnc2n1CC[N@H+](CC2)C/C(=C/c1ccccc1)/C)NC(=O)c1cc(C)cc(c1)C)C	GD-id_ZINC12157836,PC-id_42435548	486.671	AGPSQIUFHFOWSB-OXIKZWMZSA-O	00000000100000110101000000000010000000000000000000000000	31-01-149002
O=C(NC(c1n2CC[NH+](CCc2nn1)CC(=Cc1ccccc1)C)CC(C)C)c1cc(cc(c1)C)C	PC-id_74803290	486.671	AGPSQIUFHFOWSB-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-149003
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)C/C(=C/c1ccccc1)/C)CC(C)C)c1cc(cc(c1)C)C	PC-id_42435544	486.671	AGPSQIUFHFOWSB-QEYQTOMISA-O	00000000100000110101000000000010000000000000000000000000	31-01-149004
c1(C(C)NC(=O)C2CCOCC2)nnc2CCN(Cc3ccc(CN4CCCCC4)s3)CCn12	MCULE-2441289037,EMOLS-id_20480715,PC-id_45189112	486.673	BSHGREKBRMYPCM-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-149005
C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccc(CN3CCCCC3)s1)CC2	CoCoCo_1243807,PC-id_42238896,CoCoCo_1243808,ZINC22_11872046	486.673	BSHGREKBRMYPCM-LJQANCHMSA-N	00000000100110000101000000000010000000000000000000000000	31-01-149006
C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccc(CN3CCCCC3)s1)CC2	ZINC22_11872049,CoCoCo_1243810,CoCoCo_1243809,PC-id_42238898	486.673	BSHGREKBRMYPCM-IBGZPJMESA-N	00000000100110000101000000000010000000000000000000000000	31-01-149007
n12CCN(CCc1nnc2CCNC(=O)C1CCOCC1)Cc1ccc(CN2CCCCC2)s1	CoCoCo_1248329,CoCoCo_1248328,ChEMBL-DNDi_CHEMBL24785576,PC-id_28957546,EMOLS-id_20483963,MCULE-1609335851,ZINC22_11970606	486.673	QWSFPZWDQMWWII-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-149008
s1c2CCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(=O)c2c(c(sc2n1)C)C)C#N	PC-id_45717823	486.673	DKQYHMQQZCXAAI-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-149009
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(c(=O)c2c(c(sc2n1)C)C)CC)C)C#N	PC-id_55421241	486.673	NXIQPIBLIGNTLV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-149010
C[c+]1ccc(cc2c1[C+](C=c1ccc(=Cc3cc(c4-c3c(C)ccc(c4)C(C)C)C)o1)C=C2C)C(C)C	PC-id_102159120	486.686	RMNDDCBPJAXDTA-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-149011
s1c(NC(=O)[C@@H](N2CC[NH+](CC2)CC(=O)N2C[C@H](C[C@@H](C2)C)C)C)c(c2CCCCCc12)C#N	PC-id_30008422	486.693	OHLXSUNGCLHRSI-UFYCRDLUSA-O	00000000100010000101000000000010000000000000000000000000	31-01-149012
s1c(NC(=O)[C@@H](N2CC[NH+](CC2)CC(=O)N2C[C@@H](C[C@@H](C2)C)C)C)c(c2CCCCCc12)C#N	PC-id_51620808	486.693	OHLXSUNGCLHRSI-ZCNNSNEGSA-O	00000000100010000101000000000010000000000000000000000000	31-01-149013
s1c(NC(=O)[C@@H](N2CC[NH+](CC2)CC(=O)N2C[C@@H](C[C@H](C2)C)C)C)c(c2CCCCCc12)C#N	PC-id_51624282	486.693	OHLXSUNGCLHRSI-AQNXPRMDSA-O	00000000100010000101000000000010000000000000000000000000	31-01-149014
s1c(NC(=O)C(N2CC[NH+](CC2)CC(=O)N2CC(CC(C2)C)C)C)c(c2CCCCCc12)C#N	PC-id_74604041	486.693	OHLXSUNGCLHRSI-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-149015
s1c2c(CCCCCC2)c(c1NC(=S)NC(c1ccc(C(CC)C)cc1)CC)C(=O)OCC	PC-id_19675617	486.733	DSVXXJROEYUSLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149016
[Si](C#Cc1c2-c(ccc(C(C)(C)C)cc2)c(c1)C#Cc1c2-c(ccc(C(C)(C)C)cc2)cc1)(C)(C)C	PC-id_11540365	486.762	XETDXEPUNNXOJX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-149018
C1CCCCCc2c(CCCC1)sc(n2)N/C=N/c1sc2c(n1)CCCCCCCCCC2	EMOLS-id_26345283,PC-id_4552380,ZINC22_9158110,MCULE-5968162772,STOCK4S-60242	486.779	LZYFXOWCYZOFAS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149019
NC(=O)c1c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)sc2c1CCCCC2	ZINC22_32125337,PC-id_20166154	486.833	ADJZBUABOIUZAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149020
OCCCN1C(C)C(=O)N(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)F)C	SCHEMBL21344908,PC-id_139478238	486.923	CLOTVKRYBQAPDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149021
OCCCN1CC(=O)N(c2c(C1=O)n(c(n2)Oc1cccc(c1)F)C(c1ccc(cc1)Cl)C)C	SCHEMBL21332466,PC-id_139466835	486.923	SMGZFYSRZNDMGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149022
OCCCN1CC(=O)N(c2c(C1=O)n(c(n2)Oc1cccc(c1)F)[C@H](c1ccc(cc1)Cl)C)C	PC-id_139466899,SCHEMBL21332532	486.923	SMGZFYSRZNDMGU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149023
OCCCN1CC(=O)N(c2c(C1=O)n(c(n2)Oc1cccc(c1)F)[C@@H](c1ccc(cc1)Cl)C)C	SCHEMBL21345329,PC-id_139478628	486.923	SMGZFYSRZNDMGU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149024
OCCCN1[C@@H](C)C(=O)N(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)F)C	PC-id_139467029,SCHEMBL21332680	486.923	CLOTVKRYBQAPDM-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149025
OCCCN1[C@H](C)C(=O)N(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)F)C	SCHEMBL21332508,PC-id_139466877	486.923	CLOTVKRYBQAPDM-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149026
ClCc1cc(C2OC(C(O)C(O)C2O)CO)cc(Cc2c(c3-c(c2)ccccc3)C(=O)OC)c1	PC-id_72423681	486.941	PFOVGFPQCWUVKW-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-149027
ClCc1cc(cc(c1)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1cc2-c(c1C(=O)OC)ccccc2	SCHEMBL5272581,PC-id_58786195	486.941	PFOVGFPQCWUVKW-HFBCXCLPSA-N	00000010100010110110100000000010000000000000000000000000	31-01-149028
ClCc1cc(cc(c1)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O)Cc1cc2-c(c1C(=O)OC)ccccc2	SCHEMBL5272584,PC-id_69381258	486.941	PFOVGFPQCWUVKW-PLFWLVBQSA-N	00000010100010110110100000000010000000000000000000000000	31-01-149029
Clc1c(C[NH+]2CCn3c(nnc3CCNC(=O)Cc3ccc(F)cc3)CC2)cc2OCOc2c1	PC-id_42441777,GD-id_ZINC12167314	486.946	AHHYULIEHOKJSJ-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-149030
CC(C[C@H](c1nnc2n1CC[N@H+](CC2)Cc1cc2OCOc2cc1Cl)NC(=O)c1ccco1)C	GD-id_ZINC14987592,PC-id_26342142	486.971	ZPZSKNHYTJSFBK-GOSISDBHSA-O	00000010101000100101000000001010000000000000000000000000	31-01-149031
CC(C[C@@H](c1nnc2n1CC[N@@H+](CC2)Cc1cc2OCOc2cc1Cl)NC(=O)c1ccco1)C	PC-id_26342146,GD-id_ZINC14987595	486.971	ZPZSKNHYTJSFBK-SFHVURJKSA-O	00000010101000100101000000001010000000000000000000000000	31-01-149032
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)cc2OCOc2c1	PC-id_74498524	486.971	ZPZSKNHYTJSFBK-UHFFFAOYSA-O	00000010101000100101000000001010000000000000000000000000	31-01-149033
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNCc1cnccc1)Cc1cc(ccc1)Cl	PC-id_134806580	486.996	RBOKPNHFYGWBQE-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149034
O=C(Nc1ccc(C(=O)N2CCCCc3sccc23)c(Cl)c1)c1ccccc1c1ccccc1	CHEMBL347020,SCHEMBL6991283,PC-id_21467141,BindingDB_PC-id_21467141	487.012	DSUZCBIISAIOSU-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-149035
O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc23)cc1)c1ccccc1c1ccccc1	BindingDB_PC-id_44374781,CHEMBL159856,PC-id_44374781	487.012	AZRBAQMNBZZIDL-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-149036
Clc1ccc(c2oc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)COC)CC(C)C)CC3)cc2)cc1	PC-id_42247841	487.014	MTSXHBVVRJOOHV-NRFANRHFSA-O	00000000101000110101100000000010000000000000000000000000	31-01-149037
Clc1ccc(c2oc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)COC)CC(C)C)CC3)cc2)cc1	PC-id_42247842,GD-id_ZINC11881849	487.014	MTSXHBVVRJOOHV-OAQYLSRUSA-O	00000000101000110101100000000010000000000000000000000000	31-01-149038
Clc1ccc(c2oc(C[NH+]3CCn4c(nnc4C(NC(=O)COC)CC(C)C)CC3)cc2)cc1	PC-id_74786008	487.014	MTSXHBVVRJOOHV-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-149039
Clc1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3oc(cc3)COC)CC(C)C)CC2)ccc1	GD-id_ZINC12282301,PC-id_42501346	487.014	JZHFGXMFENIHGG-OAQYLSRUSA-O	00000000101000110101000000000010000000000000000000000000	31-01-149040
Clc1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3oc(cc3)COC)CC(C)C)CC2)ccc1	PC-id_42501344	487.014	JZHFGXMFENIHGG-NRFANRHFSA-O	00000000101000110101000000000010000000000000000000000000	31-01-149041
Clc1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3oc(cc3)COC)CC(C)C)CC2)ccc1	PC-id_74808282	487.014	JZHFGXMFENIHGG-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-149042
Clc1ccc(OCCN2CCN(CC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)cc1	PC-id_30746476	487.057	KNDWHMQAEXHVFD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149043
Clc1cc(N2CCN(CC2)C/C=C/C(=O)CCCCCCSC(=O)c3n[nH]c(c23)C)ccc1	PC-id_18545427	487.057	YJSYSMPWAZPWTA-FBHDLOMBSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149044
Clc1cc(N2CCN(CC2)CC=C2C(=O)CCCCCCSC(=O)c3n[nH]c(c23)C)ccc1	PC-id_73450212	487.057	YJSYSMPWAZPWTA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149045
Clc1c(OCCN2CCN(CC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)cccc1	PC-id_24585966	487.057	YPXIKPFCTCOQGY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149046
CC1=C(N2CCCCCC2=C1S(=O)(=O)NC(C)C(F)(F)F)C(=O)NC3=CC(=NC(=C3)F)C#N	PC-id_155278819	487.13	NEHDRFRLTBXNKK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-149047
C[C@H]([C@H]1CCC2=C(N(C=C2S(=N)(=O)N1)C)C(=O)NC3=CC(=NC=C3)Cl)OCC4=CC=CC=C4	PC-id_148296965	487.144	KYKGJWUDCIWEKB-GAKOKUPGSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149048
CC(C)[C@H]1C(=O)O[C@@H](CC(=O)NCC2=NC(=CS2)[NH+](NC(C(=O)N1)(C)C)[O-])/C=C/CCCl	PC-id_163807904	487.166	NKQRZNMUKXNDLV-FDOGZAMYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149049
C/C=CC=C
/C(=C)N(CCC2=C1SC(=C2)C(=O)NC3=C(C=CC=C3F)C)C(=O)C4=CC=C(C=C4)N	PC-id_153129382	487.173	VWKXZRDIWRSDCH-MVULGJSOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149050
CC1=NC(=NO1)C(=O)NC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_165112407	487.186	TXJLVFDHHWCPFJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149051
Brc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc(Br)c1	PC-id_16509485	487.205	QUHVAPYERWMPQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149052
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC5CC5	PC-id_161323146	487.233	VKKIKBABRFXVSG-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-149053
Clc1cc(Cn2nc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)nc2)ccc1Cl	PC-id_19523772	487.306	ZIKYAMXBRLVZSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149054
Clc1c(Cn2nc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)nc2)ccc(Cl)c1	PC-id_19523779	487.306	WFXRFVWVOVALLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149055
Clc1c(Cn2nc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)nc2)c(Cl)ccc1	PC-id_19523778	487.306	SVPSYNGFFDAUEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149056
c1(CN(c2ccc(cc2)I)C(=O)Nc2ccccc2)nnc2CCCCCn12	PC-id_5023186,MCULE-9330401792,EMOLS-id_6787379,CoCoCo_1969184,ZINC22_8868338	487.337	DOCAEZFYNFYHBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149057
Ic1ccc(CN(c2n3CCCCCc3nn2)C(=O)Nc2ccccc2)cc1	PC-id_4479153	487.337	DPPYXDLOXHMUOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149058
n1c2CCCCCn2nc1CN(c1ccc(I)cc1)C(=O)Nc1ccccc1	MCULE-5578613127,CoCoCo_6600803,ZINC22_28527343,PC-id_16458609	487.337	VCIAMNKTTKVAGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149059
c1(NC(=O)c2c(I)cnn2C)sc2c(CCCCC2)c1C(=O)OCCC	MCULE-2780003141,ChEMBL-DNDi_CHEMBL578477,CHEMBL578477,SPECS-id_AK-968/12341046,TIMTEC34934,EMOLS-id_8244907,PC-id_1743274,CoCoCo_5818630,ZINC22_2084527	487.355	AFNBGOXIHCLKNQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149060
Brc1cc2c(c(oc2cc1)C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_3564811	487.366	YMAMATAXKVCXEI-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-149061
c1(CN(c2ccc(cc2)NC(=O)C)C(=O)Nc2ccc(c(Cl)c2)Cl)nnc2CCCCCn12	PC-id_26842745,EMOLS-id_10086069,MCULE-6413315486,CoCoCo_5142789,ZINC22_15881879	487.382	SCQQARKJZNGVIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149062
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)NC(C(C)(C)C)C(=O)OC	SCHEMBL4117172,PC-id_68918837	487.388	KUNQKYCVCIVYRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149063
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)OC	PC-id_57736868,SCHEMBL4117175	487.388	KUNQKYCVCIVYRQ-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149064
c1(NC(=O)c2cccc(c2)Cn2cc(cn2)Br)sc2c(CCCCCC2)c1C(=O)N	SPECS-id_AK-968/41925398,CoCoCo_940520,PC-id_1000785,TIMTEC101102,ZINC22_656172,MCULE-6163044185,EMOLS-id_2218129	487.413	CKKPHWUGUUEMIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149065
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)NCc1cc(ccc1)OC(F)F)[N+](=O)[O-]	PC-id_89580443,SCHEMBL14966210	487.456	WODVDFADXPRMEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149066
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)NCc1ccc(cc1)OC(F)F)[N+](=O)[O-]	SCHEMBL14965754,PC-id_89580151	487.456	VUFFBGSMZBCTBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149067
COC(N1CC(C)(C)c2c(C(=C1C)C(=O)OC(C)C)n[nH]c2C(F)(F)F)c1ccc(c(c1)F)F	PC-id_145409507	487.463	LQMYGICIJOMWKT-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-149068
FC(F)(F)c1cc(NC(=O)COc2ccc(C(=O)NCc3n4CCCCCc4nn3)cc2)ccc1	PC-id_60520628	487.474	LWTPNIPEUKGDEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149069
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(c(c1C(=O)OCC)C)C(=O)OC	PC-id_19523627	487.493	BYVSDUWWNAJPPQ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-149070
CCOC(=O)C(c1ccc2-c(cc1)c(c(c2C(=O)OCC)NC(=O)C)C(=O)OCC)C(=O)OCC	PC-id_102239346	487.499	ZETWCGGYMFNBPC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-149071
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCC(=O)N1CCOCC1	PC-id_15411821,SCHEMBL8165273	487.502	HPTLSWUPVSRVIY-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-149072
O1CCN(CCONC(=O)Cc2ccc3-c(c(c(N)c3C(=O)OCC)C(=O)OCC)cc2)CC1=O	PC-id_9891624	487.502	VEYCXHRHDMOIHG-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-149073
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)OCC	PC-id_19687596	487.516	JRUDSHZYJPEKQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149074
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)OC	PC-id_19687589	487.516	XXWQORMQULDUAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149075
FC(F)(F)c1n(ncc1C(=O)N1CCN(CC1)Cc1n2CCCCCc2nn1)c1ccc(cc1)C	PC-id_46449572	487.521	WAXXWVZNUWNREE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149076
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)c1c([N+](=O)[O-])cc(OCC)c(OC)c1)C)C#N	PC-id_55424721	487.525	FHMAMLXMFADQLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149077
c1(N(=O)=O)c(C)nn(Cc2c(C)onc2C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c1C	MCULE-7257277583,EMOLS-id_4164885,ZINC22_22745402,TIMTEC263984,PC-id_19590206	487.529	KKCIFFJDIMJSGX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149078
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3ccc(c(F)c3)F)CCn12	MCULE-3711845577,EMOLS-id_20598657,PC-id_45216224	487.542	JXEFCYRCFVUPLN-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-149079
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(F)c(F)c2)CC3)o1	CoCoCo_1416193,ZINC22_12149184,PC-id_42429237,CoCoCo_1416192	487.542	JXEFCYRCFVUPLN-OAQYLSRUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-149080
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(F)c(F)c2)CC3)o1	ZINC22_12149183,CoCoCo_1416194,PC-id_42429235,CoCoCo_1416195	487.542	JXEFCYRCFVUPLN-NRFANRHFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-149081
N#Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)sc2c1CCCCC2	PC-id_2374703,EMOLS-id_48960568,CoCoCo_3706242,ZINC22_6146945,MCULE-8580519641	487.542	RAMOGGGAXSYWIP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149082
Fc1ccc(c(c1)C(=O)NC(c1nnc2n1CCN(CC2)Cc1ccc(cc1)c1ccccc1)C)F	ChEMBL-DNDi_CHEMBL22258007,PC-id_45166124	487.544	XKUPUQSLPYDOTE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149083
Fc1c(C(=O)N[C@@H](c2n3CCN(CCc3nn2)Cc2ccc(cc2)c2ccccc2)C)cc(F)cc1	PC-id_42189637	487.544	XKUPUQSLPYDOTE-LJQANCHMSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149084
Fc1c(C(=O)N[C@H](c2n3CCN(CCc3nn2)Cc2ccc(cc2)c2ccccc2)C)cc(F)cc1	PC-id_42189640	487.544	XKUPUQSLPYDOTE-IBGZPJMESA-N	00000000100000110101100000000010000000000000000000000000	31-01-149085
CCO[N+](C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)(N1CCCCC1)[O-]	SCHEMBL7043660	487.545	KPDWLXCDUOBPEA-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-149086
s1c(N(C(=O)Cn2nc3n(CCCCC3)c2=O)Cc2ccc(F)cc2)nc(c1C(=O)OCC)C	PC-id_55582560	487.547	JKLNEVBPINGQPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149087
S(=O)(=O)(NCc1cc(F)ccc1)c1cc(CNC(=O)Cn2nc3n(CCCCC3)c2=O)ccc1	PC-id_55946811	487.547	KTQBOMRFCDGHFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149088
O=c1n(c2-c(c1C(c1c3-c(n(c1=O)C)ccccc3)c1c3-c(n(c1=O)C)ccccc3)ccccc2)C	PC-id_10719764	487.549	ZKQBXVQMTDIULB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-149089
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cccc(Oc4ccccc4)c2)CC3)o1	EMOLS-id_20602465,ZINC22_12150197,CoCoCo_1421832,ChEMBL-DNDi_CHEMBL51295106,CoCoCo_1421833,PC-id_42430339,MCULE-2224665915	487.55	RDFHGSVJNSGACF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-149090
O=C(N1C(CCC1)C(=O)Nc1ccc(OC)cc1)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_42855057	487.55	ZZXGBDHORUIFBM-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-149091
CCOC(=O)c1c(NC(=O)CSCc2nc(C)cc(n2)C(F)(F)F)sc2c1CCCCC2	PC-id_4288982,CoCoCo_1953166	487.559	ZRYPBDANGDVSIL-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-149092
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCc2n1)c1cc(ccc1)C(F)(F)F	PC-id_24603979	487.559	FCSUTEOSDKGEFF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149093
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(OCC2OCCC2)cc1)C(=O)OC	PC-id_3930964	487.565	NNUDSDJDULZIQW-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-149094
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)/C=C/c1cc(OC)c(OC)cc1)C)C(=O)OC	PC-id_21232776	487.565	RAJNFVFHDIVVHB-ACCUITESSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149095
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)C=Cc1cc(OC)c(OC)cc1)C)C(=O)OC	PC-id_73749654	487.565	RAJNFVFHDIVVHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149096
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)Nc2c(F)cccc2)cc1	PC-id_24411980	487.567	XDNOSTJTWIVFIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149097
COC(=O)c1c(NC(=O)CSc2cccc(c2)NC(=O)/C=C/C(=O)[O-])sc2c1CCCCC2	GD-id_ZINC14297891	487.569	GICJLJJWVCTACH-ZHACJKMWSA-M	00000000100000110100000000000010000000000000000000000000	31-01-149098
s1c2CCCCCc2cc1C(=O)NNC(=O)C1CN(C(=O)C1)c1cc(OC)c(OC)c(OC)c1	PC-id_46578384	487.569	OQJLJKLFVPUFFM-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-149099
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC)cc1)C)C(=O)OCC	PC-id_19659144	487.569	PEGPKTQKQGVKHC-VULFUBBASA-N	00000000100000110100000000000010000000000000000000000000	31-01-149100
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC)cc1)C)C(=O)OCC	PC-id_73633640	487.569	PEGPKTQKQGVKHC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149101
N#Cc1c(NC(=O)COC(=O)CNC(=O)c2ccc(c3ccccc3)cc2)sc2c1CCCCC2	PC-id_2479118,ZINC22_3361554,EMOLS-id_3113154,CoCoCo_2990830,MCULE-3494145305	487.57	PZQLJFCCIZPRRE-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-149102
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(C(=O)N(c2ccccc2)C)cccc1)C#N	PC-id_45650845	487.57	HYYUCTGNNVIHEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149103
CC(C)(C)OC(=O)N(C)c1ncc(cc1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)N(C)C	PC-id_87289805,SCHEMBL1770495	487.572	MUYAPCLIMCMILA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-149104
CCNc1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)CNC(=O)OC(C)(C)C	SCHEMBL692405,PC-id_87142578	487.572	QPFSKLSXIBTPBZ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-149105
S(=O)(=O)(Nc1c(C(=O)NCc2n3CCCCCc3nn2)cccc1)C1CC2NC(=O)NC2CC1	PC-id_74311136	487.575	WVDKOGFOCPLJTH-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-149106
O=C(N=CC1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)CCC1CC1	PC-id_145452033	487.579	PWYYWMIHECHXFK-QRWMCTBCSA-N	00100000100010000101000000000010000000000000000000000000	31-01-149107
CC1=CCCCC(=Nc2c(cc(cc2)F)OC2CCOCC2)c2c(CC1)sc(c2OC)C(=O)O	PC-id_91203135	487.584	VBFPTYVMFAKVNM-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-149108
c12nc(co1)C(=O)N[C@H](C)C(=O)O[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=CC(=CCC[C@H](O)C2)C	MCULE-4674851944,PC-id_6443619,EMOLS-id_337899395	487.588	HYYZDUUXSSRJQZ-MTXNFPGFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-149109
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/CC[C@H](Cc2nc(co2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)/C	PC-id_134687173	487.588	HYYZDUUXSSRJQZ-QHWFPKQVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-149110
O1C(C(C)C)C(C)C=CC(=O)NC/C=C/C(=C/CCC(O)Cc2occ(n2)C(=O)NC(C1=O)C)/C	PC-id_5380019	487.588	HYYZDUUXSSRJQZ-LAWJCOHCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-149111
O=C1NC/C=C/C(=C/CC[C@H](O)Cc2nc(C(=O)N[C@@H](C(=O)O[C@@H]([C@@H](/C=C
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O=C1NC/C=C/C(=C/CC[C@H](O)Cc2nc(C(=O)N[C@H](C(=O)O[C@@H]([C@@H](/C=C/1)C)C(C)C)C)co2)/C	UNPD32042	487.588	HYYZDUUXSSRJQZ-AHQGCWMFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-149113
O=C1NC/C=C/C(=C/CC[C@H](O)Cc2nc(C(=O)N[C@@H](C(=O)O[C@@H]([C@@H](/C=C/1)C)C(C)C)C)co2)/C	UNPD72722	487.588	HYYZDUUXSSRJQZ-RBISFNMPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-149114
O=C1OC(C(/C=CC(=NC/C=C/C(=CCCC(O)Cc2nc(co2)/C(=N/C1C)/O)/C)O)C)C(C)C	PC-id_20831122,CNP0195921	487.588	HYYZDUUXSSRJQZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-149115
S(=O)(=O)(N1C(C(c2c(scc2)C(O)C1)Cc1ccccc1)C(=O)OC)c1ccc(OC)cc1	PC-id_53649928	487.588	ALYCCUZYJCBPSC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149116
N#Cc1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCCCC2	ZINC22_3313868,CoCoCo_2954446,EMOLS-id_3095430,CHEMBL1352899,MCULE-4542056996,PC-id_2429639	487.592	IVODCWMCSFKQRU-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-149117
s1c2CCCCCc2cc1C(=O)NNC(=O)c1c(ccc(S(=O)(=O)NCc2occc2)c1)C	PC-id_46656989	487.592	FUKAIVHTRUXEOP-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-149118
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(Cc2occc2)C)cc1)C(=O)N	PC-id_43947521	487.592	BIBTVSZTWDNLCG-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-149119
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[n+](noc1[O-])c1ccccc1)C(=O)OCC	PC-id_53294175	487.592	LUFHXZUSRYYGEU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149120
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccccc1)CC)C(=O)OC	PC-id_53292907	487.592	ZVOWLZXULZFCJL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149121
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccccc1)C)C(=O)OCC	PC-id_53292571	487.592	CVQQBTCFQPEBPT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149122
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(OC)cc1)C(=O)OCC	PC-id_4381723	487.592	GYVGBTJBHOBUIH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149123
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(OCC)cc1)C(=O)OC	PC-id_4140868	487.592	IRJJFGVVWQSWSH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149124
OCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)Cl)C(=O)OC)C	PC-id_139605604	490.012	MJPHBSMELGVYEZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-149783
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)ccc1)C(=O)OCC	PC-id_4357909	487.592	ADHAQWWTUMHZFE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149125
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1c(OC)cccc1)C(=O)OCC	PC-id_4595218	487.592	NZGAJFUUGBIVLH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149126
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)COc1ccccc1)C(=O)OCC	PC-id_4092067	487.592	KPDHAKFXAKOBNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149127
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)NCc2occc2)cc1	PC-id_46523674	487.592	JQGWIPQCIVXJFS-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-149128
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[n+](noc1[O-])c1ccccc1)C(=O)OC	PC-id_53294177	487.592	NFOXNPYHAFZWLQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149129
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccccc1)C)C(=O)OC	PC-id_53292573	487.592	XMAANCUOLNBASD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149130
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[n+](noc1[O-])c1ccccc1)C(=O)OCC	PC-id_53292329	487.592	PAQFHNFGLXOOFA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149131
C1CC1CN1CCNc2c(C1=O)n(c(n2)COc1cccc(c1)N1CCOCC1)Cc1ccccc1	PC-id_134804867	487.593	LBRONVYZSPRRFA-UHFFFAOYSA-N	00100000100010110101100000000010000000000000000000000000	31-01-149132
CCNC(=O)c1ccccc1c1ccc(cc1)CN1C(=O)C(CCc2c1cc[nH]2)NC(=O)C(N)(C)C	PC-id_19067063,SCHEMBL8910868	487.593	BHJMFMIZVJURHM-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-149133
CCNC(=O)c1cccc(c1c1ccc(cc1)C(N1C(=O)CCCc2c1cc[nH]2)N)C(=O)C(N)(C)C	PC-id_67644438,SCHEMBL8626464	487.593	IFAFYCCJQIBAPT-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-149134
CCNC(=O)c1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1cc[nH]2)NC(=O)C(N)(C)C	PC-id_22870092,SCHEMBL8910872	487.593	BHJMFMIZVJURHM-HSZRJFAPSA-N	00000000100000110100100000000010000000000000000000000000	31-01-149135
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)N(Cc1ccccc1)C	PC-id_46049640,MCULE-6231496874,EMOLS-id_25387968	487.593	UHEAKTDGCGNZQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149136
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NCc1ccccc1)Cc1ccccc1	PC-id_46159964	487.593	FTBQAGMIQUCBMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149137
O=C1N(CCCn2nc(cc12)C(=O)NC(C(C)C)C(=O)NC(c1ccccc1)C)Cc1ccccc1	PC-id_42855062	487.593	ULTFTKYQKPRNAL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149138
O=C1N(CCCn2nc(cc12)C(=O)NC(C(C)C)C(=O)NCCc1ccccc1)Cc1ccccc1	PC-id_46049892	487.593	YREMRLRGRFAPEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149139
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCc1ccccc1)CC)Cc1ccc(cc1)C	PC-id_46049974	487.593	FHEZUPOXYWIUAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149140
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCc1ccccc1)CC)Cc1cc(ccc1)C	PC-id_46050021	487.593	YITIZBXKUYMQCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149141
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NC(c1ccccc1)C)CC)Cc1ccccc1	PC-id_42855067	487.593	UPVCGBKPUUHSRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149142
Ic1c2-c(c(/N=N/c3sc(I)cn3)c1)ccccc2	PC-id_21858648	491.089	FIPCDSHWAFVWIL-ISLYRVAYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-150002
COC(=O)c1c(NC(=O)CSc2nnc(c3ccccc3OC)n2N)sc2c1CCCCC2	CoCoCo_2862988,PC-id_2398950,ZINC22_3283424,MCULE-8134932476,EMOLS-id_43704977	487.595	RILGBQWRIAPUFA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149143
COC(=O)c1c(NC(=O)CSc2nnnn2c2ccccc2OC)sc2c1CCCCCC2	ZINC22_15079774,TIMTEC144835,MCULE-7392830134,EMOLS-id_15321431,PC-id_16762354	487.595	FHFDXZKATKBDHF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149144
O=C(NCc1nnc2n1CCCCC2)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1	ZINC22_503262939	487.597	ZEKTVAHGCKFENP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149145
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1c(O)c(C(C)C)cc(C(C)C)c1)C(=O)OC	PC-id_3383974	487.608	NKGKBDCINZVEIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149146
s1cc(nc1C)C=C(C1OC(=O)CC(O)C(C(=O)C(C(O)c2oc(cc2)CC=CC1)C)(C)C)C	PC-id_72808110	487.608	VEHATGBUCHXVQL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-149147
s1cc(nc1C)/C=C(/[C@H]1OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)c2oc(cc2)CC=CC1)C)(C)C)C	PC-id_11340753	487.608	VEHATGBUCHXVQL-MIFDYWPASA-N	00000000100000000111000000000010000000000000000000000000	31-01-149148
s1cc(nc1C)/C=C(/[C@@H]1OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)c2oc(cc2)CC=CC1)C)(C)C)C	PC-id_15975087	487.608	VEHATGBUCHXVQL-UMJHIROGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-149149
C=N/C(=CC(=C(F)/C)c1cnn2c1CCCCC2)/NC(=O)[C@H]1CCC[C@H](C1)NC(=O)OC(C)(C)C	SCHEMBL19719281	487.61	IALHFCVWUFZAIR-IQBSRUDTSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149150
C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4180975,ZINC22_14244943,PC-id_26008399	487.612	XLTCYXVZIXKRTK-KRWDZBQOSA-N	00000010100010000101000000000010000000000000000000000000	31-01-149151
C[C@@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_14244942,PC-id_26008398,CoCoCo_4180974	487.612	XLTCYXVZIXKRTK-QGZVFWFLSA-N	00000010100010000101000000000010000000000000000000000000	31-01-149152
N#Cc1c(NC(=O)C(OC(=O)C2(CCCC2)CC(=O)N2CCOCC2)C)sc2c1CCCCC2	EMOLS-id_13568148,MCULE-5933653864,PC-id_22108952	487.612	XLTCYXVZIXKRTK-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-149153
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCC#N	ZINC22_408969590	487.613	QLLDMCRRYBIAMT-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149154
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2ccc(F)cc2)cn1)C(=O)OCC	PC-id_20178790	487.613	HQHCYFSDTNOQER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149155
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2cc(F)ccc2)cn1)C(=O)OCC	PC-id_20179520	487.613	LGZNITJICOKKNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149156
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)cccc2)cn1)C(=O)OCC	PC-id_20178351	487.613	PLQPGIRKNFZSRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149157
O=C(N1CCn2c(nnc2CC1)[C@H](NC(=O)C[NH+](C)C)CC(C)C)Cc1cc(OC)c(OC)cc1	PC-id_42246195	487.615	QOQPBULUJLOVQI-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-149158
O=C(N1CCn2c(nnc2CC1)[C@@H](NC(=O)C[NH+](C)C)CC(C)C)Cc1cc(OC)c(OC)cc1	PC-id_42246197	487.615	QOQPBULUJLOVQI-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-149159
O=C(NC(Cc1ccc(OCC)cc1)C(=O)NC)C(CCc1c2-c(cc1)ccccc2)CC(=O)NO	PC-id_19606519	491.579	FVFCVTPPWFBMHP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150074
O=C(N1CCn2c(nnc2CC1)C(NC(=O)C[NH+](C)C)CC(C)C)Cc1cc(OC)c(OC)cc1	PC-id_74785764	487.615	QOQPBULUJLOVQI-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-149160
s1c2CCCCCc2cc1C(=O)NNC(=O)CCc1onc(n1)C1(NC(=O)C)CCCCCC1	PC-id_56024281	487.615	UCZFOTAUMSIORX-UHFFFAOYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-149161
N=Nc1c(NC)ccc(c1C)C(C(C(=O)[O-])(C)C)c1ccc(c(c1)CN1CCCn2c(C1)cnc2)C	PC-id_145208835	487.616	WQLVQDJRRGQNMB-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-149162
O=S(=O)(NCc1nnc2CCN(CC(c3ccccc3)c3ccccc3)CCn12)c1ccccc1	MCULE-2994277476,EMOLS-id_20458255,CoCoCo_1211770,CoCoCo_1211771,PC-id_26280536,ZINC22_14885884	487.616	TWUCCRUPKNWRGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149163
Cc1ccc(cc1)S(=O)(=O)NCC1CN(CCn2c1ccc2C)S(=O)(=O)c1ccc(cc1)C	PC-id_101877844	487.635	XRHUSZKPHXSYST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149164
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CC=C)CC=C)cc1)C(=O)NC	PC-id_42388420	487.635	ZTTTUGQDBRYZIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149165
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1cc2OCOc2cc1)C(=O)OC	PC-id_19655373	487.635	RBTDJEKBRXFVSV-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-149166
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)OCC	PC-id_20181587	487.635	KSCIDUIWTGMJFT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149167
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)OC	PC-id_20181583	487.635	MHGCVVUJXOWCNB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149168
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)/C=C/c1ccccc1	PC-id_29911605	487.635	DWWIEMNSVCXQMU-DTQAZKPQSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149169
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)C=Cc1ccccc1	PC-id_74600108	487.635	DWWIEMNSVCXQMU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149170
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3ccc4c(CCO4)c3)CCn12	EMOLS-id_20738481,MCULE-3846093404,PC-id_45250054	487.636	IAXXHIIFXCHZGW-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-149171
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3ccc(cc3)c3ccccc3C)CCn12	ChEMBL-DNDi_CHEMBL24011440,MCULE-6958299247,PC-id_45188871,EMOLS-id_20479689	487.636	QZEATKBEPYJQJQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149172
c1(CN(C)C2CCN(CC2)c2ccc(cc2)NC(=O)COc2ccccc2)c2CCCCCc2[nH]n1	CoCoCo_1197165,EMOLS-id_20447723,CoCoCo_1197164,CoCoCo_1197166,CoCoCo_1197163,CoCoCo_1197168,CoCoCo_1197161,MCULE-2620795855,PC-id_42170344,CoCoCo_1197167,ZINC22_11789670,CoCoCo_1197162	487.636	UZJRGZRQOIZHDP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149173
Cc1ccccc1c1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1	CoCoCo_1242302,ZINC22_20453608,CoCoCo_1242303,PC-id_28956453	487.636	QZEATKBEPYJQJQ-RPLLCQBOSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149174
Cc1ccccc1c1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1	CoCoCo_1242306,ZINC22_20453610,CoCoCo_1242307,PC-id_28956454	487.636	QZEATKBEPYJQJQ-IGKIAQTJSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149175
Cc1ccccc1c1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1	CoCoCo_1242308,PC-id_28956452,ZINC22_20453606,CoCoCo_1242309	487.636	QZEATKBEPYJQJQ-SQHAQQRYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149176
Cc1ccccc1c1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1	ZINC22_20453604,PC-id_28956451,CoCoCo_1242305,CoCoCo_1242304	487.636	QZEATKBEPYJQJQ-SHQCIBLASA-N	00000010100000110101100000000010000000000000000000000000	31-01-149177
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc4c(c2)CCO4)CC3)c1	CoCoCo_1629760,PC-id_26363423,ZINC22_15008663,CoCoCo_1629761	487.636	IAXXHIIFXCHZGW-RUZDIDTESA-N	00000010100000110101000000001010000000000000000000000000	31-01-149178
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccc4c(c2)CCO4)CC3)c1	ZINC22_15008666,CoCoCo_1629763,PC-id_26363427,CoCoCo_1629762	487.636	IAXXHIIFXCHZGW-VWLOTQADSA-N	00000010100000110101000000001010000000000000000000000000	31-01-149179
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)Cc1ccc(cc1)OCc1ccccc1	MCULE-2814095717,EMOLS-id_20394646,CoCoCo_1124667,ZINC22_23128975,CoCoCo_1124666,PC-id_30852423	487.636	ZJXFWTXCCRUBCM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149180
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)Cc1cccc(c1)OCc1ccccc1	MCULE-3155544373,EMOLS-id_20507015,CoCoCo_1281427,PC-id_29149685,CoCoCo_1281428,ZINC22_20774461	487.636	POOYBFIBHCQGIF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149181
s1c2CCCCCc2c(c1NC(=O)[C@H](Sc1sc(NCc2ccc(F)cc2)nn1)C)C#N	PC-id_27069517	487.636	WHZFFSVYRUKTTL-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149182
s1c2CCCCCc2c(c1NC(=O)[C@@H](Sc1sc(NCc2ccc(F)cc2)nn1)C)C#N	PC-id_27069522	487.636	WHZFFSVYRUKTTL-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149183
s1c2CCCCCc2c(c1NC(=O)C(Sc1sc(NCc2ccc(F)cc2)nn1)C)C#N	PC-id_24519689	487.636	WHZFFSVYRUKTTL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149184
O=C1NCCN(C1)C(=O)c1sc2c(c1)C/N=C(NCC/C=C)/Nc1cccc(c1)S(=O)(C)C	SCHEMBL13591884	487.638	BTBLZFXYGWVEDU-BAQGIRSFSA-N	00000000100010110111000000000010000000000000000000000000	31-01-149185
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC)C(=O)OC	PC-id_20127257	487.638	DVXHGZPAGKOGJT-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-149186
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)C)C(=O)OCC	PC-id_20127221	487.638	UHTGGMMNJRTMST-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-149187
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)C)C(=O)OC	PC-id_20127177	487.638	BFBPCLKWWQYREL-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-149188
O=C(NCc1ccccc1CN1CCN(CC1)c1ccccc1)NCCc1nnc2n1CCCCC2	PC-id_112823478	487.64	PADQOSJJSGWBCU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149189
CCCCCC/C/1=C/c2csc(n2)[C@@H](C)[C@H](O)C[C@H](/C=C/C=CC[C@@H](OC1=O)/C=C/C(=O)C)O	PC-id_102585137	487.651	KSQSBJBKZSCCGJ-OEGQNRNTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-149190
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C=CC(=O)O[C@@H](C2)/C=C(/C=C/CCCO)C)/C)C)c1	PC-id_73055276	487.651	OCJWFDAQBPHMEV-AHRZZVBYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-149191
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)C)C(=O)N1CCN(CC1)Cc1ccccc1	PC-id_1268402,TIMTEC350244,ZINC22_19798287,CoCoCo_1731164,EMOLS-id_2109908,MCULE-4610538078	487.656	OCIVPLAZFLRFMH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149192
c1(c2CCCCCc2sc1NC(=O)c1ccccc1C)C(=O)N1CCN(CC1)Cc1ccccc1	TIMTEC188477,CoCoCo_1731206,PC-id_1047313,ZINC22_19989127,TIMTEC36361,SPECS-id_AG-667/13588008,MCULE-2386442767,SCHEMBL14825068,EMOLS-id_2123915,ChEMBL-DNDi_CHEMBL3261-0864	487.656	HEFOIERQKAHMCM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149193
c1(c2CCCCCc2sc1NC(=O)c1cccc(C)c1)C(=O)N1CCN(CC1)Cc1ccccc1	SPECS-id_AG-205/12836016,PC-id_1037722,ChEMBL-DNDi_CHEMBL3261-0814,TIMTEC199730,ZINC22_19938741,CoCoCo_1731162,EMOLS-id_2762041,MCULE-5006715213	487.656	HQUVKCWSSZSAFU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149194
c1(NC(=S)NNC(=O)c2c3ccccc3sc2)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC215725,CoCoCo_6799932,EMOLS-id_4165091,MCULE-6087152837,PC-id_3273950	487.658	IINQQYLTXOYLHQ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-149195
O=C(NCCc1n2CCN(CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C1C[NH+](CCC1)C	PC-id_74569095	487.66	KIGATMGLBQJYPY-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-149196
O=C(NCCc1n2CCN(CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)[C@H]1C[NH+](CCC1)C	PC-id_28769372	487.66	KIGATMGLBQJYPY-RUZDIDTESA-O	00000000100010110101100000000010000000000000000000000000	31-01-149197
O=C(NCCc1n2CCN(CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)[C@@H]1C[NH+](CCC1)C	PC-id_28769375	487.66	KIGATMGLBQJYPY-VWLOTQADSA-O	00000000100010110101100000000010000000000000000000000000	31-01-149198
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(OCC)cccc1)C(=O)OCC	PC-id_19655283	487.678	HSYANQCZHUHJGR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149199
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1cc(OC)ccc1)C(=O)OCC	PC-id_20175408	487.678	WFOPWCNJWXPEKY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149200
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(OC)cc1)C(=O)OCC	PC-id_19654573	487.678	LHMVXRIFIASINL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149201
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1cc(OC)ccc1)C(=O)OCC	PC-id_19655186	487.678	HICOJMRWMUEWHH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149202
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(OC)cccc1)C(=O)OCC	PC-id_19655239	487.678	CAISHNUJYVJNIL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149203
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1c(OCC)cccc1)C(=O)OC	PC-id_19655277	487.678	XNNXBSMSSSOHHF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149204
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1cc(OC)ccc1)C(=O)OC	PC-id_20175403	487.678	PJLQSIUUZYWPBW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149205
s1c(C[NH+]2CCCCC2)ccc1CN1CCn2c(nnc2CCNC(=O)C2CCOCC2)CC1	PC-id_28957545	487.681	QWSFPZWDQMWWII-UHFFFAOYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-149206
s1c(C[NH+]2CCCCC2)ccc1CN1CCn2c(nnc2[C@@H](NC(=O)C2CCOCC2)C)CC1	PC-id_51901727	487.681	BSHGREKBRMYPCM-IBGZPJMESA-O	00000000100110000101000000000010000000000000000000000000	31-01-149207
s1c(C[NH+]2CCCCC2)ccc1CN1CCn2c(nnc2[C@H](NC(=O)C2CCOCC2)C)CC1	PC-id_51901728	487.681	BSHGREKBRMYPCM-LJQANCHMSA-O	00000000100110000101000000000010000000000000000000000000	31-01-149208
s1c(C[NH+]2CCCCC2)ccc1CN1CCn2c(nnc2C(NC(=O)C2CCOCC2)C)CC1	PC-id_75741493	487.681	BSHGREKBRMYPCM-UHFFFAOYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-149209
CCN(CC)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1	ZINC22_408973544	487.699	UBUBSTBVCDVCNI-AJBULDERSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149210
c1(c2CCCCCCCCCCc2sc1NC(=O)c1csc2CCCCc12)C(=O)OC(C)C	CoCoCo_6789896,ZINC22_2768167,TIMTEC356119,PC-id_3538707,MCULE-5249202375,EMOLS-id_4165099	487.718	OIWLLMDMRZXSKW-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-149211
c12C(=O)N(CCCn1nc(C(=O)NCc1cccc(Br)c1)c2)Cc1ccc(cc1)Cl	PC-id_20964817,MCULE-2146180943,EMOLS-id_16324846,CoCoCo_2544653	487.777	ZKBGXMJBROXFDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149212
c12C(=O)N(CCCn1nc(C(=O)NCc1ccccc1Br)c2)Cc1ccc(cc1)Cl	EMOLS-id_16324810,PC-id_20964799,CoCoCo_2544635,MCULE-1204079109	487.777	MHDMHZYZBZTTSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149213
C1CCCCCc2c(CCCC1)sc(n2)N/C=[NH+]/c1sc2c(n1)CCCCCCCCCC2	GD-id_ZINC09158110	487.787	LZYFXOWCYZOFAS-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-149214
Brc1cc(Cl)c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_20413395	487.861	FPAGTFXUGXVONP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149215
Brc1cc(Cl)c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_20413389	487.861	LBWPFYBGNMDZTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149216
Brc1c(Cl)cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_19687678	487.861	KLDGCYOFOTWGRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149217
Brc1c(Cl)cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_19687671	487.861	INWKDZUPRAUIGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149218
Clc1cc(F)c(C(=O)Nc2cc(NC(=O)Cn3nc4n(CCCCC4)c3=O)ccc2OC)cc1	PC-id_55889817	487.911	GYBSRWVFGVHXJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149219
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)CNC2=NCCS2)cc(c1)C(F)(F)F	SCHEMBL16129729,PC-id_117616540	487.926	DPYQOAGDKNWIGN-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-149220
O=C1/C=CC(=O)Oc2c(n(CO1)c(OCC1CCN(CC1)C(C)C)n2)C(=O)c1ccc(cc1)Cl	PC-id_145789909	487.933	BZPZZHGPFFEISO-FPLPWBNLSA-N	00000000100010110111000000000010000000000000000000000000	31-01-149221
COc1c(OC)ccc(c1Cl)CN1CCc2n(CC1)c(nn2)C(C(C)C)NC(=O)c1cocc1	ChEMBL-DNDi_CHEMBL43804294	487.979	WFRCPVGUPUMXNV-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-149222
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNCc1nccnc1)Cc1cc(ccc1)Cl	PC-id_134805949	487.984	QYMKRCKIANSLJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149223
Clc1c(C(=O)NC(C(C)C)C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cccc1	PC-id_45700396	487.999	PYTPBFOZSCNLCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149224
Clc1c(C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cccc1	PC-id_51580721	487.999	PYTPBFOZSCNLCC-NRFANRHFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149225
Clc1c(C(=O)N[C@H](C(C)C)C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cccc1	PC-id_51916456	487.999	PYTPBFOZSCNLCC-OAQYLSRUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149226
Clc1cc([N+](=O)[O-])c(N2CCN(CC2)CCC(=O)Nc2sc3c(CCCCC3)c2C#N)cc1	PC-id_38516668	488.002	YKNBPVLVRLRYLU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149227
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nnc3n2CCCCC3)c1	CoCoCo_3865668,PC-id_17413117,EMOLS-id_11944990,ZINC22_8942205,MCULE-3826174558	488.002	GMWBGXRBJVPAHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149228
Cc1cc(Cl)ccc1OCc1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1	PC-id_16257254,EMOLS-id_48950377,CoCoCo_3656577,ZINC22_13016553,CoCoCo_3656576,MCULE-2990728563,CoCoCo_3656575	488.025	YTXYPNBQFWGQBW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149229
Clc1cc(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)c(OC)cc1	PC-id_19731488	488.025	WAWXGQMVMPNJMD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149230
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc1	PC-id_17254922	488.025	RCWMQEVMSMRKEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149231
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cccc1	PC-id_17304956	488.025	CKUWQSDBLPRCND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149232
Clc1nnc(Nc2ccc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cc2)cc1	PC-id_20167338	488.025	GGJCOQJGBVWZHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149233
Clc1ccc(S(=O)(=O)NCC(CCc2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)C)cc1	PC-id_72743190	488.039	IDJUAIVDWCZYFB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-149234
Clc1ccc(S(=O)(=O)NC(CCCc2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)C)cc1	SCHEMBL9626675,PC-id_57131685	488.039	PDEFNFRMASLDHU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-149235
Clc1ccc(S(=O)(=O)NCCCC(c2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)C)cc1	SCHEMBL9626679,PC-id_67895171	488.039	GITOTWPRCSNNHN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-149236
Clc1ccc(S(=O)(=O)NC[C@H](CCc2c3-c(c(c2)C(=O)OC)ccc(C(C)C)cc3)C)cc1	PC-id_15020264,SCHEMBL9626672	488.039	IDJUAIVDWCZYFB-SFHVURJKSA-N	00000010100000110110000000000010000000000000000000000000	31-01-149237
Clc1c(S(=O)(=O)NCC(CCc2c3-c(c(c2)C(=O)O)ccc(cc3)C(C)C)(C)C)cccc1	SCHEMBL9628461,PC-id_19914797	488.039	RMIIVQPMCVNLMS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-149238
ClN(S(=O)(=O)c1ccccc1)CC(CCc1c2-c(c(c1)C(=O)O)ccc(cc2)C(C)C)(C)C	PC-id_53928592,SCHEMBL9628455	488.039	IPOBEAOHUQUIBM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-149239
NC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2CCCCCc12	PC-id_16830914,EMOLS-id_13601634,MCULE-3505389222	488.044	JTPACBWQQHXPJP-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-149240
NC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2c1CCCCC2	CoCoCo_5175188,PC-id_42551434,ZINC22_12354739	488.044	JTPACBWQQHXPJP-GFCCVEGCSA-N	00000010100100000100000000000010000000000000000000000000	31-01-149241
NC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2c1CCCCC2	CoCoCo_5175189,ZINC22_12354736,PC-id_42551432	488.044	JTPACBWQQHXPJP-LBPRGKRZSA-N	00000010100100000100000000000010000000000000000000000000	31-01-149242
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)C(C=C)(C(F)(F)F)O	PC-id_154682113	488.078	ZHVMXZRGOIKUIX-IKJXHCRLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149243
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@@](C=C)(C(F)(F)F)O	PC-id_154682153	488.078	ZHVMXZRGOIKUIX-KDOFPFPSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149244
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@@H](NS2(=O)=O)[C@](C=C)(C(F)(F)F)O	PC-id_154682324	488.078	ZHVMXZRGOIKUIX-RDTXWAMCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149245
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)C(C=C)(C(F)(F)F)O	PC-id_155258008	488.078	ZHVMXZRGOIKUIX-PIVQAISJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149246
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OC[C@H](NS2(=O)=O)[C@@](C=C)(C(F)(F)F)O	PC-id_155258038	488.078	ZHVMXZRGOIKUIX-KSSFIOAISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149247
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C#N)OCC(NS2(=O)=O)C(C=C)(C(F)(F)F)O	PC-id_154682125	488.078	ZHVMXZRGOIKUIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149248
CC(C)CC(C(=O)CC1CC2=CN=C(N2)CCCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_160089948	488.209	OTAQYKAVVOZEPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149249
CC(C)CC(C(=O)CC1CCC2=C(CCCNC(=O)C1=O)NN=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_147938440	488.209	ILGMDLAGRFYTDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149250
CC(C)CC(C(=O)CC1CCCC2=CC(=NN2)CCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_147810659	488.209	HNHWCGWSMMGEMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149251
CC(C)CC(C(=O)CC1CCCN2C=C(CCNC(=O)C1=O)C=N2)NS(=O)(=O)C3=CC=CC=C3	PC-id_161111073	488.209	UJRTVIIIWXBDOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149252
CC(C)C(C(=O)CC1CCC2=C(CCCCNC(=O)C1=O)NN=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_149502240	488.209	ZHFJLSPZUUYIFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149253
CC(C)C(C(=O)CC1CCCCC2=C(CCNC(=O)C1=O)C=NN2)NS(=O)(=O)C3=CC=CC=C3	PC-id_161268940	488.209	VDOAZQPLVCTHDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149254
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)O)CC(CN(C2=O)C)(C)C	SCHEMBL4511549,PC-id_69073602	488.315	UZSKVHYTRJYULW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149255
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NN)cc1	PC-id_69067123,SCHEMBL4497546	488.318	UGXHYYXCPZKLTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149256
ISn1ccc2c1C(=O)N(C)CC=C2C(=O)N(CCC1CCNCC1)C	PC-id_145081557	488.386	PAQRZERYIOJWDD-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-149257
C/C(=CC=C
/C(=C)Nc2c(CN1C(=O)c1ccc(c(c1)Cl)CNC(=O)C(C)C)cnn2C)/Cl	PC-id_143188852	488.409	LOOPDOPDVABIDC-LBTUIKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149258
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)NC(C(C)(C)C)C(O)NC	PC-id_77966856	488.419	ROTNRTNYTQQUJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149259
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(O)NC	SCHEMBL13811820,PC-id_70998596	488.419	ROTNRTNYTQQUJL-IURRXHLWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149260
Brc1ccc(N2CCN(CC2)C(C(=O)Nc2sc3c(CCCCC3)c2C#N)C)nc1	PC-id_55682217	488.444	HZEDQKRHCRATRY-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-149261
S1/C(=C(/c2n3c(nn2)CCCCC3)C#N)/N(C(=C1)c1ccc(OCC)cc1)CC.Br	CHEMBL1373087	488.444	QTVKDVMVDNHOEH-MLWJBJAVSA-N	00000011100000110101100000000010000000000000000000000000	31-01-149262
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)[N+](=O)[O-])[N+](=O)[O-]	PC-id_19102837,SCHEMBL9335590	488.449	YYOBCBUZAHNUHP-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-149263
Clc1c(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3CCCCCc3n2)cc(Cl)cc1	PC-id_24603987	488.451	OJTGQZDHAVTJJD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149264
Clc1c(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3CCCCCc3n2)c(Cl)ccc1	PC-id_24603981	488.451	NVRSPOGIHUXEAO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149265
Brc1ccc(C(=O)c2n3c(C(CCCC3)C(=O)OCCCCCCCCC)cc2)cc1	PC-id_20484044,SCHEMBL11201597	488.457	OIXFDAUOLZHVNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149266
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cc(Oc2cc(ccc2)C)cc([N+](=O)[O-])c1	PC-id_19523703	488.459	XFUGASFHFQSMKH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149267
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cc(Oc2ccc(cc2)C)cc([N+](=O)[O-])c1	PC-id_19523704	488.459	NZPMVRZGSPWYND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149268
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cc(Oc2c(cccc2)C)cc([N+](=O)[O-])c1	PC-id_19523715	488.459	ABXKKJRULPCDLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149269
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)N1CCN(CC1)Cc1cc(ccc1)C(F)(F)F	PC-id_19527748	488.469	VYDVVBOYAUEEOH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149270
CC(NC(=O)[C@H]1c2[nH]nc(c2C(CN(C1(C)C)C(c1ccc(c(c1)F)F)O)(C)C)C(F)(F)F)C	PC-id_145409502	488.494	NESWZAFSVKUUQG-QRIPLOBPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149271
C/C/1=C(/C=NNC(=O)c2n(NC=N1)ccc2)C(=O)N1CCC(CC1)S(=O)c1ccc(c(c1)F)F	PC-id_145287404	488.51	RIDPLCHZRLIVLX-PRDNLLBRSA-N	00000000100010110111000000000010000000000000000000000000	31-01-149272
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)c1c(n(nc1)C)C	PC-id_19527755	488.527	PGIQAPARIHPAGB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149273
s1c2CCCCCc2nc1NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(O)cc2)cc1	PC-id_16962207	488.537	BMWLTGSSZQPOEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149274
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(CCn12)C(=O)c1c(C)onc1c1ccccc1	PC-id_45167032,MCULE-7623783747,EMOLS-id_232760673	488.538	DPJWPKUCNKORLU-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-149275
Cc1onc(c2ccccc2)c1C(=O)N1CCc2nnc([C@H](NC(=O)c3ccoc3)C(C)C)n2CC1	ZINC22_12078076	488.538	DPJWPKUCNKORLU-JOCHJYFZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-149276
Cc1onc(c2ccccc2)c1C(=O)N1CCc2nnc([C@@H](NC(=O)c3ccoc3)C(C)C)n2CC1	ZINC22_12078077	488.538	DPJWPKUCNKORLU-QFIPXVFZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-149277
O=C(N1CCn2c(nnc2CNC(=O)COc2ccccc2)CC1)c1ccc(N2CCCC2=O)cc1	PC-id_42188883	488.538	RBLRVBFHVHCTOC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149278
CC(C)c1cc(ccc1COC(=O)N1CCc2cc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1)C#N	BindingDB-id_913858,PC-id_118394549,SCHEMBL17112990	488.542	JOPXJHQXBYDMQF-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-149279
c1(NC(=O)CSc2nc(c3ccccc3)cc(n2)C(F)(F)F)sc2c(CCCCC2)c1C#N	SPECS-id_AG-690/40756152,ZINC22_2074540,CoCoCo_272932,BAS-03008158,ChEMBL-DNDi_CHEMBL7914181,EMOLS-id_1411206,PC-id_1735863,TIMTEC87157,MCULE-7434877190	488.548	BUTHQJNFEUDWNR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149280
COCc1ccc(o1)C(=O)N[C@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(c(c1)F)F)CC(C)C	PC-id_42429234,GD-id_ZINC12149183	488.55	JXEFCYRCFVUPLN-NRFANRHFSA-O	00000000101000110101000000000010000000000000000000000000	31-01-149281
Fc1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3oc(cc3)COC)CC(C)C)CC2)ccc1F	PC-id_42429236	488.55	JXEFCYRCFVUPLN-OAQYLSRUSA-O	00000000101000110101000000000010000000000000000000000000	31-01-149282
Fc1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3oc(cc3)COC)CC(C)C)CC2)ccc1F	PC-id_74802491	488.55	JXEFCYRCFVUPLN-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-149283
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)c2ccccc2)C)cc(F)cc1	PC-id_74777453	488.552	XKUPUQSLPYDOTE-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149284
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)c2ccccc2)C)cc(F)cc1	PC-id_42189636	488.552	XKUPUQSLPYDOTE-LJQANCHMSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149285
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)c2ccccc2)C)cc(F)cc1	PC-id_42189639	488.552	XKUPUQSLPYDOTE-IBGZPJMESA-O	00000000100000110101100000000010000000000000000000000000	31-01-149286
COC(=O)c1c(NC(=O)COC(=O)CCN2C(=O)C3C(C2=O)CC=CC3)sc2c1CCCCC2	EMOLS-id_11680318,MCULE-5560250851,PC-id_16275654	488.553	HFKHVTRBEKYXMI-UHFFFAOYSA-N	00000010100011000100000000000110000000000000000000000000	31-01-149287
COC(=O)c1c(NC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)sc2c1CCCCC2	CoCoCo_2858512,ZINC22_102128929	488.553	HFKHVTRBEKYXMI-GASCZTMLSA-N	00000010100011000100000000000110000000000000000000000000	31-01-149288
COC(=O)c1c(NC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)sc2c1CCCCC2	PC-id_51516343,CoCoCo_2858511,ZINC22_13097341	488.553	HFKHVTRBEKYXMI-GJZGRUSLSA-N	00000010100011000100000000000110000000000000000000000000	31-01-149289
COC(=O)c1c(NC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)sc2c1CCCCC2	ZINC22_102128934,CoCoCo_2858513,PC-id_98283272	488.553	HFKHVTRBEKYXMI-HUUCEWRRSA-N	00000010100011000100000000000110000000000000000000000000	31-01-149290
O(c1cc(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)ccc1)c1ccccc1	PC-id_42430338	488.558	RDFHGSVJNSGACF-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-149291
O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc12)NCc1nnc2n1CCCCC2	ZINC22_8919974,EMOLS-id_11967844,CoCoCo_4480639,PC-id_17553738,MCULE-2576793097	488.56	YXPUVOJYCJFBJL-UHFFFAOYSA-N	00000010100000100101000001000010000000000000000000000000	31-01-149292
Pc1cc(ccc1COCc1sc(c2c1CC(C)(C)CCC2=C)S(=O)(=C)C)C(F)(F)F	PC-id_143162516	488.566	HFHHSPBCJQJILP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149293
CO[C@H]1CN(CC(c2c([C@@H]1OC)n(nn2)C(CC)(CC)C)(F)F)C(=O)CCC(=O)OC(C)(C)C	SCHEMBL19737747	488.568	HZGPMVIHDPBXMY-HNAYVOBHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149294
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C=C/C(=O)O)ccc1)C(=O)OC	PC-id_18898124	488.576	GICJLJJWVCTACH-ZHACJKMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149295
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C=CC(=O)O)ccc1)C(=O)OC	PC-id_73470095	488.576	GICJLJJWVCTACH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149296
S(=O)(=O)(N1C(C(c2c(scc2)C(O)C1)Cc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_53765730	488.576	DLCXXDRQWOCDOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149297
S(=O)(=O)(N1C([C@H](c2c(scc2)[C@@H](O)C1)Cc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_53765727	488.576	DLCXXDRQWOCDOH-AHTKWCMKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149298
S(=O)(=O)(N1C([C@@H](c2c(scc2)[C@@H](O)C1)Cc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_53765729	488.576	DLCXXDRQWOCDOH-PDYHCXRVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149299
S(=O)(=O)(N1C(C(O)c2c(CC1C(=O)NO)csc2)Cc1ccccc1)c1ccc(OC)cc1	PC-id_76118019	488.576	SAFBFFZZDHEZDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149300
S(=O)(=O)(N1[C@H]([C@H](c2c(scc2)[C@@H](O)C1)Cc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_53765728	488.576	DLCXXDRQWOCDOH-PCCBWWKXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149301
S(=O)(=O)(N1[C@@H]([C@H](O)c2c(CC1C(=O)NO)csc2)Cc1ccccc1)c1ccc(OC)cc1	PC-id_54295048	488.576	SAFBFFZZDHEZDK-NHXNGRAPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149302
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1ccc(cc1)OC)nn2)C	PC-id_134828919	488.58	XXQAKNBBVIYKSL-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149303
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1ccccc1OC)nn2)C	PC-id_134828923	488.58	KUDOCGLBVPFQOI-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149304
C[C@@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1ccc(cc1)OC)nn2)C	PC-id_134828964	488.58	XXQAKNBBVIYKSL-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149305
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1cc(ccc1)OC)nn2)C	PC-id_134828968	488.58	AXMQAPTUVMTCQL-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149306
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1ccc(cc1)OC)nn2)C	PC-id_134828988	488.58	XXQAKNBBVIYKSL-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149307
C[C@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1ccccc1OC)nn2)C	PC-id_134828990	488.58	KUDOCGLBVPFQOI-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149308
CCOC(=O)c1c(NC(=O)CSCc2nc3c([nH]2)cc(cc3)[N+](=O)[O-])sc2c1CCCCC2	PC-id_145961253	488.58	PSZIWDUUCKDPPB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-149309
COc1ccc(NC(=O)N(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@@H]2C)cc1	CHEBI:113397,PC-id_44505804,CHEMBL1866810	488.58	ZHGRDCMKBHHKPV-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149310
COc1ccc(NC(=O)N(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1	PC-id_44505806,CHEMBL1866575	488.58	ZHGRDCMKBHHKPV-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149311
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_75036167	488.58	OFOUXQSPHPQRAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149312
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_75036168	488.58	YYALKDZNPSDWDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149313
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cccc1	PC-id_75036349	488.58	ZODITPIVHHGZAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149314
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_75036342	488.58	ZHGRDCMKBHHKPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149315
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_75036347	488.58	CFCAPIQLQJKCRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149316
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(OC)cc1	CHEBI:96788,PC-id_44505807	488.58	OFOUXQSPHPQRAF-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149317
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_44505005	488.58	OFOUXQSPHPQRAF-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149318
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_44505604,CHEBI:96830	488.58	OFOUXQSPHPQRAF-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149319
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_44505805	488.58	OFOUXQSPHPQRAF-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149320
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_44505811,CHEBI:96699	488.58	OFOUXQSPHPQRAF-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149321
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_44505814,CHEBI:97030	488.58	OFOUXQSPHPQRAF-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149322
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_44505815,CHEBI:96859	488.58	OFOUXQSPHPQRAF-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149323
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_44505822	488.58	OFOUXQSPHPQRAF-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149324
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(OC)ccc1	CHEBI:113520,PC-id_44505854	488.58	YYALKDZNPSDWDC-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149325
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(OC)ccc1	CHEBI:95652,PC-id_44505861	488.58	YYALKDZNPSDWDC-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149326
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(OC)ccc1	CHEBI:96613,PC-id_44505864	488.58	YYALKDZNPSDWDC-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149327
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(OC)ccc1	CHEBI:96874,PC-id_44505851	488.58	YYALKDZNPSDWDC-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149328
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_44498549,CHEBI:96488	488.58	YYALKDZNPSDWDC-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149329
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_44505006,CHEBI:113384	488.58	YYALKDZNPSDWDC-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149330
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_44505633,CHEBI:95824	488.58	YYALKDZNPSDWDC-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149331
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_44505852,CHEBI:96523	488.58	YYALKDZNPSDWDC-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149332
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cccc1	CHEBI:95874,PC-id_44505465	488.58	ZODITPIVHHGZAH-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149333
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cccc1	CHEBI:96517,PC-id_44505860	488.58	ZODITPIVHHGZAH-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149334
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cccc1	CHEBI:97001,PC-id_44505631	488.58	ZODITPIVHHGZAH-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149335
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cccc1	PC-id_44496401,CHEBI:96896	488.58	ZODITPIVHHGZAH-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149336
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cccc1	PC-id_44496404,CHEBI:113299	488.58	ZODITPIVHHGZAH-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149337
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cccc1	PC-id_44496828,CHEBI:96461	488.58	ZODITPIVHHGZAH-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149338
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cccc1	PC-id_44505458,CHEBI:113383	488.58	ZODITPIVHHGZAH-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149339
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cccc1	PC-id_44505866,CHEBI:95952	488.58	ZODITPIVHHGZAH-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149340
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_44505435	488.58	ZHGRDCMKBHHKPV-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149341
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_44505439	488.58	ZHGRDCMKBHHKPV-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149342
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_44505440	488.58	ZHGRDCMKBHHKPV-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149343
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_44505443	488.58	ZHGRDCMKBHHKPV-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149344
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_44505612	488.58	ZHGRDCMKBHHKPV-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149345
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(OC)cc1	PC-id_44505817	488.58	ZHGRDCMKBHHKPV-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149346
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_44505454	488.58	CFCAPIQLQJKCRL-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149347
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_44505456	488.58	CFCAPIQLQJKCRL-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149348
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_44505457	488.58	CFCAPIQLQJKCRL-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149349
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_44505459,CHEBI:96120	488.58	CFCAPIQLQJKCRL-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149350
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_44505466,CHEBI:113509	488.58	CFCAPIQLQJKCRL-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149351
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_44505635	488.58	CFCAPIQLQJKCRL-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149352
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_44506036	488.58	CFCAPIQLQJKCRL-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149353
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(OC)ccc1	PC-id_44506037	488.58	CFCAPIQLQJKCRL-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149354
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cccc1	CHEBI:113312,PC-id_44491461	488.58	LJFLDXJAOYTNMN-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149355
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cccc1	CHEBI:113505,PC-id_44489274	488.58	LJFLDXJAOYTNMN-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149356
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cccc1	CHEBI:96239,PC-id_44490872	488.58	LJFLDXJAOYTNMN-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149357
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cccc1	PC-id_44483915	488.58	LJFLDXJAOYTNMN-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149358
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cccc1	PC-id_44483916	488.58	LJFLDXJAOYTNMN-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149359
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cccc1	PC-id_44490871	488.58	LJFLDXJAOYTNMN-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149360
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cccc1	PC-id_44492061	488.58	LJFLDXJAOYTNMN-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149361
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cccc1	PC-id_44495963	488.58	LJFLDXJAOYTNMN-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149362
s1c2c(CCCCC2)c(c1NC(=O)c1scc(Cn2nc(c([N+](=O)[O-])c2C)C)c1)C(=O)OC	PC-id_19494808	488.58	XBNWJXULTUBTAA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-149363
c1cc2-c(c1)ccc(cc2)N=Cc1ccc(cc1)N=Nc1ccc(cc1)C=Nc1ccc2-c(cc1)ccc2	PC-id_101864856	488.581	UEMUFZVUWVAQJW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-149364
c1ccc2-c(cc1)c(cc2)N=Cc1ccc(cc1)N=Nc1ccc(cc1)C=Nc1ccc2-c1ccccc2	PC-id_101466894	488.581	LMYBQBHRRAKLKF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-149365
CCC(C(=O)Nc1ccc(cc1)CCCc1nnc2n1N=C(CC(=O)N2)C)Oc1c(cc(cc1)C)C	PC-id_135843136	488.581	UTMZUWSMVQZFPA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-149366
CCN(CCC(=O)NCc1ccncc1)C(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	MCULE-5461573341,PC-id_46050017,EMOLS-id_25388936	488.581	KGPBXYXQBRLOIQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149367
CCN(C(=O)c1cc2n(n1)CCCN(C2=O)Cc1cccc(c1)C)CCC(=O)NCc1ccccn1	PC-id_46049748,MCULE-3631339871,EMOLS-id_25388080	488.581	SBFIFHYSXITFLD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149368
CNC(=O)Nc1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1cc[nH]2)NC(=O)C(N)(C)C	PC-id_22870084,SCHEMBL8910399	488.581	AKIDXGLCGHJBNA-JOCHJYFZSA-N	00000000100000110100100000000010000000000000000000000000	31-01-149369
O=C1N(c2c([nH]cc2)CCC1NC(=O)C(N)(C)C)Cc1ccc(cc1)c1c(NC(=O)NC)cccc1	PC-id_19067066	488.581	AKIDXGLCGHJBNA-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-149370
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NCc1cccnc1)Cc1ccccc1	PC-id_46159903	488.581	KSWAVSNPDPKRRJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149371
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NCc1ccncc1)Cc1ccccc1	PC-id_46049895	488.581	UWDJNMWOXFXBOR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149372
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NCc1ncccc1)Cc1ccccc1	PC-id_46159902	488.581	FHEAUTUJLVQQML-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149373
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCc1cccnc1)CC)Cc1cc(ccc1)C	PC-id_42854996	488.581	RQVBWTNDUIGWBG-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149374
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCc1cccnc1)CC)Cc1ccc(cc1)C	PC-id_46159918	488.581	UFEPJGKPUBIHOT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149375
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCc1ccncc1)CC)Cc1ccc(cc1)C	PC-id_46049970	488.581	CYYZWIJWNMRTHU-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149376
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCc1ccncc1)CC)Cc1c(cccc1)C	PC-id_46050053	488.581	UPSJUDZCQTWLKA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149377
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCc1ncccc1)CC)Cc1c(cccc1)C	PC-id_42855028	488.581	SAXNBKPONMOFBQ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149378
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCc1ncccc1)CC)Cc1ccc(cc1)C	PC-id_46159917	488.581	IEBMWDCSJDYCKK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149379
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1nc(cc1C)C(F)(F)F)C(=O)OCC	PC-id_20174819	488.59	NNQXEULVMLCNMJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149380
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1nc(cc1C)C(F)(F)F)C(=O)OC	PC-id_20174812	488.59	YDTGIAYREGWDHX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149381
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)C=NC(=O)C1=C(C)N=CC#C1)F	PC-id_145451921	488.593	XLDVDGKXTNSTKC-UHFFFAOYSA-N	00000000100011100101000000000010000000000000000000000000	31-01-149382
COc1cc(ccc1n1cnc(c1)CC)Cc1noc2c1CCCCC2NC(c1ccc(cc1)F)C	PC-id_145572297	488.596	UYEJLCVDIPKHPB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149383
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccc(F)cc1)C(=O)OC	PC-id_19729625	488.598	QEXBXGDLLUITAT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149384
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(F)cc1)C)C(=O)OCC	PC-id_19729598	488.598	NXCRLSMVSZHOGC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149385
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(F)cc1)C)C(=O)OC	PC-id_19729565	488.598	BLBQCIZYRCOVPS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149386
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[n+]([nH]oc1=O)c1ccccc1)C(=O)OCC	PC-id_53294176	488.6	LUFHXZUSRYYGEU-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149387
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccccc1)CC)C(=O)OC	PC-id_53292908	488.6	ZVOWLZXULZFCJL-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149388
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccccc1)C)C(=O)OCC	PC-id_53292572	488.6	CVQQBTCFQPEBPT-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149389
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[n+]([nH]oc1=O)c1ccccc1)C(=O)OC	PC-id_53294178	488.6	NFOXNPYHAFZWLQ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149390
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccccc1)C)C(=O)OC	PC-id_53292574	488.6	XMAANCUOLNBASD-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149391
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[n+]([nH]oc1=O)c1ccccc1)C(=O)OCC	PC-id_53292330	488.6	PAQFHNFGLXOOFA-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149392
COc1cc(ccc1C(=O)Nc1cccc2c1nc([nH]2)C)C(=O)N1CCCCc2c1sc(c2C)C	PC-id_18378656,SCHEMBL7019296	488.601	DVLJWMNDTSOVKG-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-149393
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCN(Cc2nnc3n2CCCCC3)CC1	EMOLS-id_44025811,MCULE-5729561100,PC-id_30102908,ZINC22_22201033	488.603	DJQUUVJRRVNLKE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149394
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3cnc(c4ccccc4)s3)CCn12	MCULE-8953974904,PC-id_45207860,EMOLS-id_20562805	488.605	MSPGTPRMAPZATQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149395
C=CCn1c(=O)/c(=Cc2ccc(cc2)N2CCOCC2)/s/c/1=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3610893	488.605	MFWHCKBXKFVLTG-OMIGSXFGSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149396
C=CCn1c(=O)/c(=Cc2ccc(cc2)N2CCOCC2)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3610894	488.605	MFWHCKBXKFVLTG-YNVJYXNASA-N	00000000100010110101100000000010000000000000000000000000	31-01-149397
C=CCn1c(=O)c(=Cc2ccc(cc2)N2CCOCC2)sc1=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_44488426,MCULE-7113393654,PC-id_4181556	488.605	MFWHCKBXKFVLTG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149398
C=CCn1c(=O)/c(=C/c2ccc(cc2)N2CCOCC2)/s/c/1=C(/c1nnc2n1CCCCC2)C#N	PC-id_5666038,CoCoCo_3610896	488.605	MFWHCKBXKFVLTG-ZXMZKHFRSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149399
C=CCn1c(=O)/c(=C/c2ccc(N3CCOCC3)cc2)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	ZINC22_3174893,CoCoCo_3610895,PC-id_2312112	488.605	MFWHCKBXKFVLTG-DNEIMJECSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149400
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	CoCoCo_1362880,PC-id_42501357,ZINC22_12282313,CoCoCo_1362879	488.605	HNNTYYURUDPSOQ-LJQANCHMSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149401
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	ZINC22_12282317,CoCoCo_1362882,PC-id_42501359,CoCoCo_1362881	488.605	HNNTYYURUDPSOQ-IBGZPJMESA-N	00000000100000110101100000000010000000000000000000000000	31-01-149402
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3cnc(s3)c3ccccc3)CCn12	PC-id_45207909,EMOLS-id_20563025,MCULE-7721530528	488.605	HNNTYYURUDPSOQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149403
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cnc(s3)c3ccccc3)CCn12	ZINC22_12279899,PC-id_42500014,MCULE-6395461909,EMOLS-id_20660823,CoCoCo_1510530,CoCoCo_1510529	488.605	CHLSXOJIPPAQFA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149404
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2cnc(c4ccccc4)s2)CC3)c1	CoCoCo_1362589,PC-id_42501308,CoCoCo_1362590,ZINC22_12282217	488.605	MSPGTPRMAPZATQ-GOSISDBHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149405
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2cnc(c4ccccc4)s2)CC3)c1	ZINC22_12282213,CoCoCo_1362592,CoCoCo_1362591,PC-id_42501306	488.605	MSPGTPRMAPZATQ-SFHVURJKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149406
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)c1=Cc1ccc(N2CCOCC2)cc1)CC=C	PC-id_2312113	488.605	MFWHCKBXKFVLTG-JTEZOLCKSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149407
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1ccc(N2CCOCC2)cc1)CC=C	PC-id_2312114	488.605	MFWHCKBXKFVLTG-PSNVOPTBSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149408
c1(c2ccccc2n(CC)c1)S(=O)(=O)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_4988082,CHEMBL1438934,PC-id_2157586,EMOLS-id_5445477,ChEMBL-DNDi_CHEMBL1438934,ZINC22_2722211,MCULE-7904041066	488.62	IYOIGOWHIACYIF-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-149409
c1(NC(=S)NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2432858391,PC-id_3815332	488.62	KRHAETYQYVQCNA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149410
CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c(c2)OC)OC)sc2c1CCCCC2	ZINC22_9215623,EMOLS-id_26282479,STOCK2S-75633,PC-id_5605719	488.62	KRHAETYQYVQCNA-ACCUITESSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149411
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CC=C)CC=C)cc1)C(=O)OC	PC-id_23907057	488.62	DXAXPGBUWDZHOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149412
CC(C)c1ccc(cc1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CC1CCOCC1	PC-id_134805932	488.621	KQVAFTNFLQVYSN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149413
CCCCc1nc2=C(C)C(=S)C(=O)C(=S)C=c2n1Cc1ccc(cc1)c1ccccc1C(=O)O	SCHEMBL9335437,PC-id_19102866	488.621	RUYPKONAEJSOFY-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-149414
COC1CCN(C(=O)c2c1n(cc2)Cc1ccccc1)CCCN1CCN(CC1)c1ccc(cc1)O	SCHEMBL6779876,PC-id_22737969	488.621	BXHXCIBUYWKRIN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149415
OC1c2n(cc(c2C(=O)N(CCCN2CCN(CC2)c2ccc(O)cc2)CC1)C)Cc1ccccc1	SCHEMBL6780078,PC-id_22737957	488.621	ZVRLTBJKRVQPGI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149416
Oc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)OCc1ccccc1	SCHEMBL6773937,PC-id_22738091	488.621	MPXUQSZYMLOMEV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149417
C1CCc2c(CC1)sc(c2)C(=O)NNC(=O)CCCCCN=C1c2ccccc2S(=O)(=O)N1	PC-id_135970987	488.623	APEJRYOXFGJRQO-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-149418
C[C@H](Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4224026,PC-id_25412313,ZINC22_12640502	488.623	TVFGXOZKZLWVIV-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149419
C[C@@H](Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_12640498,PC-id_25412309,CoCoCo_4224027	488.623	TVFGXOZKZLWVIV-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149420
COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)cc1	EMOLS-id_30231196,ZINC22_14217853,MCULE-7467782146,PC-id_22200389	488.623	YZNRRUWWIVNJLD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149421
N#Cc1c(NC(=O)C(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)C)sc2c1CCCCC2	PC-id_45354468,EMOLS-id_43981958,MCULE-3075896899	488.623	TVFGXOZKZLWVIV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149422
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)c(OC)c1)C)C1CC[NH+](CC1)C	PC-id_74804702	488.623	LTQKUESUQVLXFF-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-149423
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)c(OC)c1)C)C1CC[NH+](CC1)C	PC-id_42455345	488.623	LTQKUESUQVLXFF-QGZVFWFLSA-P	00000000100010110101000000000010000000000000000000000000	31-01-149424
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1c(OC)cc(OC)c(OC)c1)C)C1CC[NH+](CC1)C	PC-id_42455349	488.623	LTQKUESUQVLXFF-KRWDZBQOSA-P	00000000100010110101000000000010000000000000000000000000	31-01-149425
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1c(occ1)C)C(=O)OC	PC-id_19726334	488.623	GSVOSWYWBJZRAX-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-149426
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(occ1)C)C(=O)OC	PC-id_19726464	488.623	HGAZSIJCELBGPN-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-149427
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1occc1)C(=O)OCC	PC-id_19724439	488.623	DNHGAVSAIQYRTG-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-149428
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1occc1)C(=O)OCC	PC-id_19724532	488.623	LZONAGKUGFFMRM-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-149429
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)CC)C(=O)OCC	PC-id_19726187	488.623	FGURCUYKIBZPGF-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-149430
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_19654535	488.623	HQCOCQKZDPIRGC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149431
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1occc1)C(=O)OC	PC-id_19724369	488.623	CEDQVXXVBSZCKB-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-149432
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1occc1)C(=O)OC	PC-id_19724484	488.623	IHULXLCHIUQUMF-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-149433
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)CC)C(=O)OC	PC-id_19726140	488.623	XXQQQXXQNNMNOL-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-149434
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C(=O)OC	PC-id_19654528	488.623	YFKOXCKQCDQYBD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149435
CC(CC(c1nnc2n1CCN(CC2)C(=O)c1ccc(cc1)c1ccccc1)NC(=O)CN(C)C)C	ChEMBL-DNDi_CHEMBL13628711,PC-id_45173824	488.624	ZTJMIMUFIHHPAJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149436
CC(C[C@H](c1nnc2n1CCN(CC2)C(=O)c1ccc(cc1)c1ccccc1)NC(=O)CN(C)C)C	PC-id_42407803,CoCoCo_1151316	488.624	ZTJMIMUFIHHPAJ-XMMPIXPASA-N	00000000100000110101100000000010000000000000000000000000	31-01-149437
CC(C[C@@H](c1nnc2n1CCN(CC2)C(=O)c1ccc(cc1)c1ccccc1)NC(=O)CN(C)C)C	PC-id_42407805,CoCoCo_1151315	488.624	ZTJMIMUFIHHPAJ-DEOSSOPVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149438
CN1CCC(CC1)NCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CCOc1ccccc1	PC-id_134804889	488.624	XUIKCMWAAHRCCD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149439
N=Nc1c(NC)ccc(c1C)C(C(C(=O)O)(C)C)c1ccc(c(c1)CN1CCCn2c(C1)cnc2)C	PC-id_145208836	488.624	WQLVQDJRRGQNMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149440
S(=O)(=O)(NCc1n2CC[NH+](CC(c3ccccc3)c3ccccc3)CCc2nn1)c1ccccc1	PC-id_26280535	488.624	TWUCCRUPKNWRGD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-149441
c1(NC(=O)CC(c2ccc(cc2)OC(C)C)c2ccccc2OC)sc2c(CCCCC2)c1C#N	PC-id_45124843,EMOLS-id_15745986,MCULE-3721211211	488.641	RWAGXJQVVCMBBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149442
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(OCC)c1O	ZINC22_408973161	488.641	ZHWZWAQPUILLIN-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149443
C=CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC	ZINC22_408969057	488.641	GMCKIYPVHSQSCP-TWKHWXDSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149444
CCOc1cc(cc(c1O)CC=C)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1ccccc1	PC-id_137051506	488.641	ZHWZWAQPUILLIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149445
CCOC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1	ZINC22_409016596	488.641	QMORXAGAZCMPCF-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149446
CCOC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc1	ZINC22_409019801	488.641	XIJPOTFLGWWDQH-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149447
CCOC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)cc1	ZINC22_409018209	488.641	SYIVEKGJHPTURG-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149448
CCOC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)cc1	ZINC22_409019895	488.641	XVGSMEYSXKXDSF-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149449
COc1ccccc1[C@H](CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(OC(C)C)cc1	CoCoCo_5896663,PC-id_33775647,ZINC22_26503587	488.641	RWAGXJQVVCMBBC-XMMPIXPASA-N	00000000100000110100000000000010000000000000000000000000	31-01-149450
COc1ccccc1[C@@H](CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(OC(C)C)cc1	ZINC22_26503582,CoCoCo_5896662,PC-id_33775643	488.641	RWAGXJQVVCMBBC-DEOSSOPVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149451
CC(C[C@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc2c(c1)CCO2)NC(=O)c1cc(C)cc(c1)C)C	PC-id_26363422,GD-id_ZINC15008663	488.644	IAXXHIIFXCHZGW-RUZDIDTESA-O	00000010100000110101000000001010000000000000000000000000	31-01-149452
O1c2c(cc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)c4cc(cc(c4)C)C)CC(C)C)CC3)cc2)CC1	PC-id_26363426	488.644	IAXXHIIFXCHZGW-VWLOTQADSA-O	00000010100000110101000000001010000000000000000000000000	31-01-149453
O1c2c(cc(C[NH+]3CCn4c(nnc4C(NC(=O)c4cc(cc(c4)C)C)CC(C)C)CC3)cc2)CC1	PC-id_74502017	488.644	IAXXHIIFXCHZGW-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-149454
O1CC(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)c2c(cccc2)C)C(C)C)CC1	PC-id_74784740	488.644	QZEATKBEPYJQJQ-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-149455
O1C[C@H](C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)c2c(cccc2)C)C(C)C)CC1	PC-id_42238494	488.644	QZEATKBEPYJQJQ-SHQCIBLASA-O	00000010100000110101100000000010000000000000000000000000	31-01-149456
O1C[C@H](C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)c2c(cccc2)C)C(C)C)CC1	PC-id_42238496	488.644	QZEATKBEPYJQJQ-SQHAQQRYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-149457
O1C[C@@H](C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)c2c(cccc2)C)C(C)C)CC1	PC-id_42238497	488.644	QZEATKBEPYJQJQ-RPLLCQBOSA-O	00000010100000110101100000000010000000000000000000000000	31-01-149458
O1C[C@@H](C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)c2c(cccc2)C)C(C)C)CC1	PC-id_42238498	488.644	QZEATKBEPYJQJQ-IGKIAQTJSA-O	00000010100000110101100000000010000000000000000000000000	31-01-149459
O=C(N1CCCN(c2c1ccs2)CCN1CCCC1)c1ccc(cc1)NC(=O)c1ccccc1C	PC-id_139710003	488.644	GXCJMKZKOVBMNT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-149460
O=C(Nc1ccc(N2CCC([NH+](Cc3n[nH]c4c3CCCCC4)C)CC2)cc1)COc1ccccc1	PC-id_42170343	488.644	UZJRGZRQOIZHDP-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-149461
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(OCc2ccccc2)cc1)C1CCCCC1	PC-id_42246983	488.644	ZJXFWTXCCRUBCM-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-149462
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1cc(OCc2ccccc2)ccc1)C1CCCCC1	PC-id_42273817	488.644	POOYBFIBHCQGIF-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-149463
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1sccc1)CC=C)C(=O)OC	PC-id_19725560	488.646	WBOHJVBODXMOCB-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-149464
s1c2CCCCCc2nc1NC(=O)CCC1=NC2N(CCCC)C(=O)NC(=O)C2N1CC(C)C	PC-id_74301822	488.646	WNHFTNQIFSAILY-UHFFFAOYSA-N	00000011100010000101000000000110000000000000000000000000	31-01-149465
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)NC(=S)Nc1sc2CCCCCc2c1C#N	PC-id_4079295	488.646	WOKGXFKIQGPGJC-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-149466
CC(OC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)[O-])C3)sc2c1CCCCCCCCCC2)C	GD-id_ZINC20549817,PC-id_29037374	488.659	COLJMMIPQWNMNM-KSCDAYEDSA-M	00000010100010000100000000000110000000000000000000000000	31-01-149467
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)[O-])C3)sc2c1CCCCCCCCCCC2	GD-id_ZINC08455347,PC-id_40737835	488.659	QDPCATIORLNJPG-KSCDAYEDSA-M	00000010100010000100000000000110000000000000000000000000	31-01-149468
s1c(NC(=O)C2C3CC(C2C(=O)[O-])CC3)c(c2c1CCCCCCCCCC2)C(=O)OC(C)C	PC-id_74581970	488.659	COLJMMIPQWNMNM-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-149469
s1c(NC(=O)C2C3CC(C2C(=O)[O-])CC3)c(c2c1CCCCCCCCCCC2)C(=O)OCC	PC-id_74712941	488.659	QDPCATIORLNJPG-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-149470
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCCCCCC2)C(=O)OC(C)C	PC-id_29037371	488.659	COLJMMIPQWNMNM-OSZJIOELSA-M	00000010100010000100000000000110000000000000000000000000	31-01-149471
s1c(NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCCCCCCC2)C(=O)OCC	PC-id_40737833	488.659	QDPCATIORLNJPG-OSZJIOELSA-M	00000010100010000100000000000110000000000000000000000000	31-01-149472
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC)ccc1)CC)C(=O)OC	PC-id_18909041	488.663	ZZJCQHPHUOHIGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149473
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC)ccc1)C)C(=O)OCC	PC-id_18908976	488.663	HTUSPISONSZIGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149474
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCCC)ccc1)C)C(=O)OC	PC-id_18909635	488.663	AQVLRWMGPCPSHC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149475
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CCCC)ccc1)C(=O)OCC	PC-id_18909669	488.663	JRVRBPDIPGUHJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149476
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CC(C)(C)C)ccc1)C(=O)OC	PC-id_18911648	488.663	OZQKGWJPKMILIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149477
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C)ccc1)CC)C(=O)OCC	PC-id_18908780	488.663	RONBVZMRKFPVLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149478
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC)ccc1)C)C(=O)OC	PC-id_18908977	488.663	IUABVASOWHKSIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149479
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CCC)ccc1)C(=O)OCC	PC-id_18909011	488.663	AWISZYKAFMILID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149480
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CCCC)ccc1)C(=O)OC	PC-id_18909670	488.663	YESCSVQYGOWSMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149481
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(cc1)C(=O)OCCCC)C(=O)OCC	PC-id_20414019	488.663	OKNRSVQWKNWMQP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149482
s1c2c(c(C(=O)N3CC[NH+](CC3)Cc3ccccc3)c1NC(=O)c1c(cccc1)C)CCCCC2	PC-id_3492965	488.664	HEFOIERQKAHMCM-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-149483
s1c2c(c(C(=O)N3CC[NH+](CC3)Cc3ccccc3)c1NC(=O)c1cc(ccc1)C)CCCCC2	PC-id_3662669	488.664	HQUVKCWSSZSAFU-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-149484
s1c2c(c(C(=O)N3CC[NH+](CC3)Cc3ccccc3)c1NC(=O)c1ccc(cc1)C)CCCCC2	PC-id_4534213	488.664	OCIVPLAZFLRFMH-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-149485
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC=C)C(=O)OCC	PC-id_20125521	488.666	IYWNNRZYJJEVFG-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-149486
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)CC=C)C(=O)OC	PC-id_17303320	488.666	HEKLNZYCXKOLCB-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-149487
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCC1)CC=C)C(=O)OC	PC-id_17263162	488.666	TYMYHJZRZIJGTO-UHFFFAOYSA-N	00000010100000000101100000000010000000000000000000000000	31-01-149488
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C1C[NH+](CCC1)C	PC-id_74416956	488.667	KIGATMGLBQJYPY-UHFFFAOYSA-P	00000000100010110101100000000010000000000000000000000000	31-01-149489
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)[C@H]1C[NH+](CCC1)C	PC-id_25293976	488.667	KIGATMGLBQJYPY-RUZDIDTESA-P	00000000100010110101100000000010000000000000000000000000	31-01-149490
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)[C@@H]1C[NH+](CCC1)C	PC-id_25293978	488.667	KIGATMGLBQJYPY-VWLOTQADSA-P	00000000100010110101100000000010000000000000000000000000	31-01-149491
CC(C)Cn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1N1CCOCC1	PC-id_41132050,CoCoCo_4182543,ZINC22_9579508	488.669	KOMYSLIRRABCCD-INIZCTEOSA-N	00000000100010000101100000000010000000000000000000000000	31-01-149492
CC(C)Cn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1N1CCOCC1	ZINC22_9579509,PC-id_41132051,CoCoCo_4182542	488.669	KOMYSLIRRABCCD-MRXNPFEDSA-N	00000000100010000101100000000010000000000000000000000000	31-01-149493
N#Cc1c(NC(=O)C(Sc2nnc(n2CC(C)C)N2CCOCC2)C)sc2c1CCCCC2	EMOLS-id_11775937,MCULE-7758602658,PC-id_16335903	488.669	KOMYSLIRRABCCD-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-149494
c1(C(CC(C)C)NC(=O)COC)nnc2CCN(Cc3ccc(CN4CCCCC4)s3)CCn12	EMOLS-id_20544923,MCULE-7186635004,PC-id_45203737	488.689	KOFXJFQHQHKQFW-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-149495
COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(CN3CCCCC3)s1)CC2	CoCoCo_1336109,ZINC22_12190421,PC-id_42451413,CoCoCo_1336110	488.689	KOFXJFQHQHKQFW-JOCHJYFZSA-N	00000000100110000101000000000010000000000000000000000000	31-01-149496
COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(CN3CCCCC3)s1)CC2	PC-id_42451411,ZINC22_12190420,CoCoCo_1336112,CoCoCo_1336111	488.689	KOFXJFQHQHKQFW-QFIPXVFZSA-N	00000000100110000101000000000010000000000000000000000000	31-01-149497
s1c(C[NH+]2CCCCC2)ccc1C[NH+]1CCn2c(nnc2CCNC(=O)C2CCOCC2)CC1	PC-id_42322667	488.689	QWSFPZWDQMWWII-UHFFFAOYSA-P	00000000100110000101000000000010000000000000000000000000	31-01-149498
s1c(C[NH+]2CCCCC2)ccc1C[NH+]1CCn2c(nnc2[C@H](NC(=O)C2CCOCC2)C)CC1	PC-id_42238895	488.689	BSHGREKBRMYPCM-LJQANCHMSA-P	00000000100110000101000000000010000000000000000000000000	31-01-149499
s1c(C[NH+]2CCCCC2)ccc1C[NH+]1CCn2c(nnc2[C@@H](NC(=O)C2CCOCC2)C)CC1	PC-id_42238897	488.689	BSHGREKBRMYPCM-IBGZPJMESA-P	00000000100110000101000000000010000000000000000000000000	31-01-149500
s1c(C[NH+]2CCCCC2)ccc1C[NH+]1CCn2c(nnc2C(NC(=O)C2CCOCC2)C)CC1	PC-id_74784786	488.689	BSHGREKBRMYPCM-UHFFFAOYSA-P	00000000100110000101000000000010000000000000000000000000	31-01-149501
CCc1sc2c(c1CNC(=O)Nc1sc3c(c1C(=O)OC(C)(C)C)CCCCC3)CCCC2	SCHEMBL19557044	488.706	LUURWSRMACQVCJ-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-149502
Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC5CC5)sc4CC3)CC2)s1	SCHEMBL21041050,BindingDB-id_989515	488.709	DODUHZQKDPVRII-KESTWPANSA-N	00100000100010000101000000000010000000000000000000000000	31-01-149503
CCCOc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)C=NC(=O)Cc1cnc(s1)C	PC-id_145451707	488.709	QPPXJVWNWXHTKY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149504
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC1CCC1	PC-id_138671153	488.709	PMBRCFGQPLVZKG-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-149505
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC1CC1	PC-id_138670706	488.709	DODUHZQKDPVRII-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-149506
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OC1CCC1	SCHEMBL21041524	488.709	PMBRCFGQPLVZKG-WGSAOQKQSA-N	00001000100010000101000000000010000000000000000000000000	31-01-149507
Ic1ccc(c(c1)Cl)Nc1sc2c(c1C(=O)N)CC(CNC2=N)(C)C	SCHEMBL4515909,PC-id_69075388	488.773	GUKCQUUQDYFJBP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149508
Brc1ccc(C(=O)Cn2nc([n+]3c2CCCCC3)NCc2c(c(Cl)ccc2)C)cc1	PC-id_4479155	488.828	VHHQYTIWBXTJKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149509
Cc1c(Cl)cccc1NCc1n[n+](CC(=O)c2ccc(Br)cc2)c2n1CCCCC2	ZINC22_27525260,MCULE-1587774826,PC-id_34882992,GD-id_ZINC27525260,CoCoCo_6269033	488.828	SQUWLDCVQDOTTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149510
O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cc2nnc3n2CCCCC3)CC1	PC-id_40111116,MCULE-8549476527,EMOLS-id_24152078,ZINC22_32876288,CoCoCo_4490998	488.83	HRISHWWLCIIMDT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149511
ClC1=Cc2[nH]cc(c2C=CC1)CCN(C(C)C)Cc1cccc(c1)OCC(C(F)(F)F)(F)F	PC-id_142174015	488.921	YPPDXBQSNDSQNC-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-149512
CC=C(C=CC(=C)F)C1CCCCn2c1nc(n2)N=C1CC(C(C(=C1)OC)n1cc(nc1)Cl)F	PC-id_90743678	488.961	HDHWZKPROCSFLD-UHFFFAOYSA-N	00000000100011000101100000000010000000000000000000000000	31-01-149513
CCc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCCC(C2)C(=O)O)cc(c1)Cl	PC-id_144720751	488.964	FURFDSPNBQFZSW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149514
CCOc1cc(/C=CC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc(c1OC)Cl	CoCoCo_2878303	488.984	IFCOQLRLMGERPQ-KTKRTIGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149515
CCOc1cc(C=CC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc(c1OC)Cl	MCULE-9315994545,PC-id_4835036,EMOLS-id_43709469	488.984	IFCOQLRLMGERPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149516
CCOc1cc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc(Cl)c1OC	ZINC22_3324853,PC-id_2440381,CoCoCo_2878302	488.984	IFCOQLRLMGERPQ-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149517
Clc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1OC(F)F	PC-id_20171850	488.999	PYTGUNAOIFMREV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149518
C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4173846,ZINC22_9835747,PC-id_41236585	489.01	KSHDUZJCASIMHE-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149519
C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41236584,CoCoCo_4173847,ZINC22_9835746	489.01	KSHDUZJCASIMHE-ZDUSSCGKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149520
Clc1ccc(OCc2oc(SC(C(=O)Nc3sc4CCCCCc4c3C#N)C)nn2)cc1	EMOLS-id_11799973,PC-id_16355227,MCULE-4789813984	489.01	KSHDUZJCASIMHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149521
Clc1c(OCc2oc(SC(C(=O)Nc3sc4CCCCCc4c3C#N)C)nn2)cccc1	PC-id_24498813	489.01	OMWXUMBCGASDGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149522
NCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)Cl)C(=O)OC)C	PC-id_139605595	489.027	IVYJLTJKTVVLGD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-149523
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(c3ccc(Cl)cc3)o2)sc2c1CCCCCC2	ZINC22_408971583	489.028	JLUYMJKZLDEXKE-UXHLAJHPSA-N	00000000101000110100100000000010000000000000000000000000	31-01-149524
CC(=O)N(c1nc(COC(=O)c2cc3c(s2)CCCCC3)cs1)c1c(C)cc(C)cc1Cl	MCULE-4562860410,CoCoCo_2861315,PC-id_25687018,EMOLS-id_24168123,ZINC22_13040204	489.05	HXPYINAWHFTZKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149525
Clc1ccc(cc1)N1CCN(CC1)CCCN1CC=Cc2c(C1=O)c(C)cn2Cc1ccccc1	PC-id_22738022,SCHEMBL6774408	489.052	IWGYETPNQZEWPH-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-149526
c1(NC(=S)Nc2cccc(c2)Cn2cc(cn2)Cl)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_2856983,TIMTEC434294,MCULE-5773503861,CoCoCo_998855,EMOLS-id_2472072,PC-id_2210242	489.053	RSIFZOBKJJKYER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149527
c1(NC(=S)Nc2ccn(Cc3ccc(cc3)Cl)n2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_6800018,EMOLS-id_4165814,MCULE-8241746321,ZINC22_20168521,TIMTEC465895,PC-id_3269502	489.053	TVHHTDRGGAEKAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149528
Clc1ccc(Cn2ncc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)c2)cc1	PC-id_19676784	489.053	FASARIXEEQAMDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149529
Clc1ccc(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)c2)cc1	PC-id_19676777	489.053	ICHXYIUNNLUFIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149530
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cc2C)cc1	PC-id_19676831	489.053	IYQPWBYGAZKCBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149531
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cc2)cc1	PC-id_19676716	489.053	FCBDVOUDOYTGHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149532
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)c2)cccc1	PC-id_20168167	489.053	MHVUBBIVIGQNPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149533
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)c2)cccc1	PC-id_20168160	489.053	TZOVVAPQXBLNRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149534
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cccc1	PC-id_20166593	489.053	XBSXQKUDZRUDLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149535
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cc2)cccc1	PC-id_20166586	489.053	IHHGRLMQDKHGRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149536
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn(Cc2ccccc2)c1	PC-id_20174156	489.053	GZYYTJBANBCITL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149537
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nn(Cc2ccccc2)c1	PC-id_20174149	489.053	USROHDBAYIOVHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149538
Clc1cn(nc1)Cc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_20171690	489.053	AZQVLFOCNPQMCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149539
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OCC(NS2=O)C(C(F)(F)F)O	PC-id_154682013	489.059	HPMXCGXIILZLFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149540
CC(C)CC(C(=O)CC1CC2=COC(=N2)CCCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_161526057	489.193	WJZSVLPWLXOWNM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149541
CC(C)CC(C(=O)CC1CCCC2=NOC(=C2)CCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_147228431	489.193	CIKUDEWRHZCEND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149542
CC(C)C(C(=O)CC1CC2=C(CCCCCNC(=O)C1=O)OC=N2)NS(=O)(=O)C3=CC=CC=C3	PC-id_148940073	489.193	PNSKDUBTQYQAEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149543
Clc1cc(CN2CCN(CC2)C(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)ccc1Cl	PC-id_19527738	489.361	WWTFPMOIHLOADH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149544
Clc1c(CN2CCN(CC2)C(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)ccc(Cl)c1	PC-id_19527739	489.361	NOBGAYSCEMOURC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149545
Clc1c(CN2CCN(CC2)C(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(Cl)ccc1	PC-id_19527746	489.361	NCJBTQMURABBHM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149546
Brc1ccc(C(=O)COC(=O)CCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_19059647	489.382	BFHRXCGWOSXDNN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149547
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1)Cc1c(F)c(F)c(F)cc1F	PC-id_19523710	489.389	BBYPPOBMQWVXJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149548
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(F)cc(F)c1	PC-id_19679780	489.397	CPKJRCMHMUBTAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149549
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(F)cc(F)c1	PC-id_19679773	489.397	XZJXKWSDLFAXMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149550
Brc1c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cc(OC)c(OC)c1	EMOLS-id_16731162,CoCoCo_3991742,PC-id_17518931,MCULE-9809715836	489.404	LXRGADICZJLHPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149551
Brc1c(c2oc(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cccc1	PC-id_3966912	489.409	XEQUTSBLJABDNE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149552
N#Cc1c(NC(=O)CSc2nnc(o2)c2ccc(cc2)Br)sc2c1CCCCC2	PC-id_112775005	489.409	XEKKGKNJFOZBMR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149553
Clc1c(Cn2nc(c3c2sc(c3)C(=O)NCc2n3CCCCCc3nn2)C)ccc(Cl)c1	PC-id_60520478	489.421	YCFWWKYWUGGMMX-UHFFFAOYSA-N	00000000100000110101000100000010000000000000000000000000	31-01-149554
Brc1ccc(c2ccc(OCCCCCOC3COc4c(OC3)csc4)cc2)cc1	PC-id_57838381,SCHEMBL13701403	489.422	YXVHEXHKFMMBAL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149555
Brc1c(NC(=O)CN(CCC(=O)Nc2sc3CCCCCc3c2C#N)C)cccc1	PC-id_24681134	489.428	YVSXHSJLBCDDAL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149556
Brc1c(NC(=O)CN(C(C(=O)Nc2sc3CCCCCc3c2C#N)C)C)cccc1	PC-id_24681225	489.428	VPFFIZXKSKUKLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149557
N#Cc1cc(ccc1F)NC(=O)c1n(C)cc2c1OCC(NS2(=O)=O)C(NCC(F)(F)F)C	SCHEMBL18352807	489.444	IQGWPDMGZFWRDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149558
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)NCc1ccc(cc1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14965538,PC-id_89579994	489.447	POFLVTPTFRFASG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149559
CN(C(=O)c1ccc(cc1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-])c1cccc(c1)C(F)(F)F	SCHEMBL14965979,PC-id_71571328	489.447	SQVWCBINXHHZFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149560
CCOC(=O)Cc1ccc2-c(cc1)c(c(c2OC(=O)OCC)N(C(=O)C)C(=O)C)OC(=O)OCC	PC-id_17776026,SCHEMBL8332424	489.472	WAPUCBFNZMFDJD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-149561
CCOC(=O)Oc1c2-c(ccc(cc2)CC(=O)NOC(=O)N2CCCC2)c(c1N)OC(=O)OCC	PC-id_88126386,SCHEMBL7312255	489.475	ZPEIDYRIGQAMGV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-149562
C(NC(=O)Cc1ccccc1)(C(F)(F)F)(C(F)(F)F)Nc1sc2c(CCCCCC2)c1C#N	PC-id_1973056,STOCK4S-16298,MCULE-9535859634,ZINC22_2360937,EMOLS-id_4568558	489.477	XQODRNHHHCDMJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149563
s1c2c(CCCCC2)c(c1NC(NC(=O)CCc1ccccc1)(C(F)(F)F)C(F)(F)F)C#N	PC-id_3616679	489.477	JMPRKNWBTCKCNA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149564
COc1cc(ccc1OC(=O)COc1ccc(cc1)[N+](=O)[O-])C=C(c1nnc2n1CCCCC2)C#N	PC-id_4638281,EMOLS-id_300250453,MCULE-2040020458	489.48	CBKPHQCVIXSTDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149565
COc1cc(ccc1OC(=O)COc1ccc(cc1)[N+](=O)[O-])/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_6172307,CoCoCo_3733351	489.48	CBKPHQCVIXSTDD-QGOAFFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-149566
COc1cc(ccc1OC(=O)COc1ccc(cc1)[N+](=O)[O-])/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_75459348,CoCoCo_3733352	489.48	CBKPHQCVIXSTDD-AQTBWJFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149567
C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2	CoCoCo_1366376,CoCoCo_1366375,PC-id_42501904,ZINC22_12283633	489.49	KWMNHVGJHJRNFP-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149568
C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2	CoCoCo_1366377,CoCoCo_1366378,PC-id_42501906,ZINC22_12283635	489.49	KWMNHVGJHJRNFP-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149569
CC(NC(=O)COc1ccccc1)c1nnc2CCN(Cc3ccc(OC(F)(F)F)cc3)CCn12	MCULE-6254793617,PC-id_45208462,EMOLS-id_20565423	489.49	KWMNHVGJHJRNFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149570
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(OC(F)(F)F)cc3)CCn12	MCULE-4282854568,EMOLS-id_20405050,CoCoCo_1138512,ZINC22_12052724,PC-id_42379192,CoCoCo_1138511	489.49	PYXCRPKVWIYQFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149571
FC(F)(F)Oc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1	CoCoCo_1315799,PC-id_42422359,ZINC22_12129958,ChEMBL-DNDi_CHEMBL34211662,CoCoCo_1315800,EMOLS-id_20530875,MCULE-3572321163	489.49	HDKCTBZATBQHMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149572
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)NOC(N1CCCC1)C	SCHEMBL7301500,PC-id_88125124	489.518	SMRWVYQVHILYOI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-149573
CCO[N+](C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)(N1CCOCC1)[O-]	SCHEMBL8165277	489.518	VFAYFWKVTXDVPE-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-149574
c1cc(CNC(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)cc2OCOc12	EMOLS-id_25387688,PC-id_46049859,MCULE-3550935949	489.523	DRVOHTHUCMDYJI-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-149575
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCc1cc2OCOc2cc1)C)Cc1ccccc1	PC-id_46049846	489.523	JGHNHRWUYWILJS-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-149576
S(=O)(=O)(c1c2-n([nH][nH][nH]2)c(c(S(=O)(=O)c2ccc(cc2)C)cc1)[N+](=O)[O-])c1ccc(cc1)C	PC-id_85563818	489.525	OYWBMQGEZFPDRO-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-149577
CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)C(C)Sc1nc(cc(=O)[nH]1)C(F)(F)F	PC-id_136630471	489.532	RCSHWTWKDHQAJP-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-149578
CCC(CO)N=C1CCC=CNc2c1c(c[nH]2)C(=O)c1c(nc(cc1)NC1CCC(CC1)(F)F)F	PC-id_137167167	489.533	ACCMAUWGKZSPNS-UHFFFAOYSA-N	00000000100010101110000000000010000000000000000000000000	31-01-149579
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCCNC(=O)c1c(F)cc(F)cc1)C)C#N	PC-id_55420096	489.535	NFUOBUXLADSFJL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149580
Fc1ccc(CNC(=O)C2N(CCC2)C(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)cc1	PC-id_46049578	489.541	SKRFBRMVBCPPMG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-149581
O=C([C@H]1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCc1ccc(cc1)F	PC-id_93332248	489.541	SKRFBRMVBCPPMG-HSZRJFAPSA-N	00000010100000110101000000000010000000000000000000000000	31-01-149582
O=C([C@@H]1CCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCc1ccc(cc1)F	PC-id_93332249	489.541	SKRFBRMVBCPPMG-QHCPKHFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-149583
N1(C(Cc2ccccc2)C(=O)Nc2sc3c(CCCCC3)n2)C(=O)c2c(cc(cc2)C(=O)O)C1=O	MCULE-9605368106	489.543	KMYNJACNWHGFNK-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-149584
N1(C(Cc2ccccc2)C(=O)O)C(=O)c2c(cc(cc2)C(=O)Nc2sc3c(CCCCC3)n2)C1=O	MCULE-1727602316,EMOLS-id_334602356	489.543	VYAYSWCEIDBYRI-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-149585
O=C(CN(C(=NC(=C)c1ccc(cc1)F)c1ccc(cc1)F)C)C=C1CCCc2c(CC1)oc(n2)C	PC-id_145589072	489.556	JLTJDKXKKRIHJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149586
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](Cc2nc(co2)C(=O)NCC(=O)O[C@@H]1C(C)C)O)O)/C	SCHEMBL20718284,PC-id_137477056	489.561	MCWCRTIXPSFTLA-OPBWIDMLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-149587
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC(F)F)cc1)C)C#N	PC-id_19643108	489.561	LHVIWZRJMSGSGE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149588
CCOC(=O)C(CS)NC(=O)c1c2c(c([nH]1)C(=O)NC(CS)C(=O)OCC)OCCCO2	PC-id_88907408,SCHEMBL12335013	489.563	KZZBZUHTNDXISF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149589
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Oc1ccc(cc1)OC)nn2)C	PC-id_134828921	489.565	OFADHNWAOBTKRH-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149590
COc1ccc(OC(=O)N(C)C[C@@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1	CHEBI:113290,CHEMBL1863775,PC-id_44505781	489.565	DYYSINDAYMXOAQ-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149591
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccc(OC)cc1	PC-id_75036161	489.565	IKCPXJXAZOQLMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149592
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(OC)cc1	PC-id_75036384	489.565	DYYSINDAYMXOAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149593
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccc(OC)cc1	CHEBI:95951,PC-id_44504999	489.565	IKCPXJXAZOQLMC-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149594
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccc(OC)cc1	CHEBI:96911,PC-id_44505571	489.565	IKCPXJXAZOQLMC-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149595
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccc(OC)cc1	CHEBI:96987,PC-id_44505550	489.565	IKCPXJXAZOQLMC-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149596
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccc(OC)cc1	CHEBI:97046,PC-id_44505558	489.565	IKCPXJXAZOQLMC-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149597
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccc(OC)cc1	PC-id_44505577,CHEBI:113358	489.565	IKCPXJXAZOQLMC-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149598
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccc(OC)cc1	PC-id_44505757,CHEBI:96858	489.565	IKCPXJXAZOQLMC-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149599
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccc(OC)cc1	PC-id_44505760,CHEBI:96921	489.565	IKCPXJXAZOQLMC-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149600
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Oc1ccc(OC)cc1	PC-id_44505770	489.565	IKCPXJXAZOQLMC-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149601
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(OC)cc1	CHEBI:113464,PC-id_44505775	489.565	DYYSINDAYMXOAQ-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149602
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(OC)cc1	CHEBI:96078,PC-id_44505761	489.565	DYYSINDAYMXOAQ-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149603
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(OC)cc1	PC-id_44498544,CHEBI:113279	489.565	DYYSINDAYMXOAQ-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-149604
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(OC)cc1	PC-id_44505567,CHEBI:113350	489.565	DYYSINDAYMXOAQ-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149605
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(OC)cc1	PC-id_44505568,CHEBI:113376	489.565	DYYSINDAYMXOAQ-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149606
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(OC)cc1	PC-id_44505769,CHEBI:103738	489.565	DYYSINDAYMXOAQ-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149607
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Oc1ccc(OC)cc1	PC-id_44506003	489.565	DYYSINDAYMXOAQ-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149608
s1c2c(CCCCC2)c(c1NC(=O)CSc1[n+](noc1[O-])c1ccc(OC)cc1)C(=O)OC	PC-id_53292121	489.565	AZHYDMPRBDYNAN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149609
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(cc1)C)C(=O)OC	PC-id_3309750	489.565	SILZDLDUOKNZBB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149610
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(cccc1)C)C(=O)OC	PC-id_3422392	489.565	FOTUCFOHBAASQJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149611
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(ccc1)C)C(=O)OC	PC-id_3638278	489.565	FXQUTMBIYUJHSO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149612
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccccc1)C(=O)OCC	PC-id_4142555	489.565	RKBOLXCUEOIWBN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149613
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)Cc1ccccc1)C(=O)OC	PC-id_3529683	489.565	KHUUZDHDFZCPQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149614
c1cc(ccc1)NC(=O)CCN(CCOC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	PC-id_46049925,EMOLS-id_25388170,MCULE-9142973935	489.566	ROOZGSBDZAIVAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149615
C1COCCC1CN1CCNc2c(C1=O)n(c(n2)CNc1ccc(cc1)C(=O)O)Cc1ccccc1	PC-id_134810872	489.566	BPBYDURKZXLREH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149616
CC(C)CC(c1nnc2n1CCN(CC2)Cc1cc2ccccc2o1)NC(=O)c1ccc(o1)CC=O	PC-id_89255601,SCHEMBL14135893	489.566	ABOLYIQVRKRVFC-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-149617
O=C1N(CCCn2nc(cc12)C(=O)NC(C(C)C)C(=O)Nc1ccc(OC)cc1)Cc1ccccc1	PC-id_42855061	489.566	QDVPNJVIBWMKRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149618
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)Nc1ccc(OC)cc1)CC)Cc1ccccc1	PC-id_42855066	489.566	SMQLYYPTTIYNEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149619
O(C(=O)C(CCCCn1c2NC=NCC(O)c2nc1)C(=O)NCc1ccccc1)Cc1ccccc1	PC-id_10553051	489.566	NQQTYIWTDWGQBB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-149620
CCOC(=O)c1cnc(SCC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)nc1N	EMOLS-id_3544256,ZINC22_9224268,PC-id_16263042,CoCoCo_3902295,MCULE-3478619958	489.568	LXIJATBWUMYGIR-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-149621
CC1CCC(=O)c2c(CCC(C1=O)C)nc(n2Cc1ccc(cc1)C(F)(F)F)NC1CCCCC1	PC-id_143232039	489.573	UJIZPLJZUDVNAT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149622
CO/N=C/c1cccnc1n1cc(c(n1)C)CN1CCOCC(c2c(CCC1)sc(c2)C)(F)F	PC-id_144187955	489.581	WHIDDJQEUGPSBM-XODNFHPESA-N	00000000100000101101100000000010000000000000000000000000	31-01-149623
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@@H](SCC(=O)Nc1ccc(F)cc1)C)C#N	PC-id_51477547	489.583	GENPRXAVJQHJCP-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149624
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@H](SCC(=O)Nc1ccc(F)cc1)C)C#N	PC-id_51477548	489.583	GENPRXAVJQHJCP-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149625
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(SCC(=O)Nc1ccc(F)cc1)C)C#N	PC-id_45671798	489.583	GENPRXAVJQHJCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149626
CC(C)(O)C#Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1	MCULE-5725608676,CoCoCo_1365982,ZINC22_23337780,PC-id_31016014,CoCoCo_1365983,EMOLS-id_20565143,ChEMBL-DNDi_CHEMBL41904748	489.584	IJIAFXPGROJNHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149627
CC(CC(C(=O)NC1Cc2ccn(n2)CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731829,SCHEMBL21111057	489.588	MHPCJNMTVJFPTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149628
CC(CC(C(=O)NC1Cc2cnc([nH]2)CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110407,PC-id_138731247	489.588	NEOHNJQPTLFNQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149629
CC(CC(C(=O)NC1Cc2[nH]nc(c2)CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110348,PC-id_138731188	489.588	GBZDIBAPWKLJQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149630
CC(CC(C(=O)NC1CCc2cnn(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109532,PC-id_138730378	489.588	SLATVNCWDWTBKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149631
CC(CC(C(=O)NC1CCc2n[nH]c(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109853,PC-id_138730696	489.588	LWWCOXVBCPZNCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149632
CC(CC(C(=O)NC1CCCc2[nH]nc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730797,SCHEMBL21109955	489.588	DRXMHNMVVVXOQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149633
CC(CC(C(=O)NC1CCCn2ncc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109802,PC-id_138730647	489.588	FOYODYYOUTXQRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149634
CC(C(C(=O)NC1Cc2cn[nH]c2CCCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731227,SCHEMBL21110387	489.588	MWDFUINVOGUBDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149635
CC(C(C(=O)NC1CCc2cn[nH]c2CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730457,SCHEMBL21109612	489.588	YZMSGSUMCVNEOX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149636
CC(C(C(=O)NC1CCCc2cn[nH]c2CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731233,SCHEMBL21110393	489.588	VDSVJYHTRBAPKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149637
CC(C(C(=O)NC1CCCCc2[nH]ncc2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109984,PC-id_138730826	489.588	KVFYKRUTAJKVKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149638
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)c1sc2c(c1)cc([N+](=O)[O-])cc2)C(=O)OC	PC-id_24130446	489.588	PWHHCCOOABKSIR-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-149639
O=S(=O)(c1ccccc1)NCc1nnc2n1CCN(CC2)Cc1cccc(c1)Oc1ccccc1	ChEMBL-DNDi_CHEMBL13902382	489.589	ZFQRBIMQISGSAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149640
C[C@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4265266,ZINC22_10214982,PC-id_41410411	489.608	XNXCJPRLHKOABS-INIZCTEOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149641
C[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4265267,PC-id_25378929,ZINC22_12589960	489.608	XNXCJPRLHKOABS-MRXNPFEDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149642
CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1	MCULE-2819972380,ZINC22_13134142,PC-id_4847218,EMOLS-id_3421207,CoCoCo_2909769	489.608	IQRPTOPSBLOANO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149643
CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	CoCoCo_2955828,MCULE-6988925761,ChEMBL-DNDi_CHEMBL1408316,PC-id_2410623,ZINC22_3295046,EMOLS-id_3083830,CHEMBL1408316	489.608	MCSOKBPSJSMDFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149644
N#Cc1c(NC(=O)C(Oc2ccc(cc2)S(=O)(=O)N2CCOCC2)C)sc2c1CCCCC2	EMOLS-id_43988162,MCULE-7494270121,PC-id_16385106	489.608	XNXCJPRLHKOABS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149645
O=C(Nc1cccc(c1)S(=O)(=O)/N=C/1CCCN1)COC(=O)c1sc2c(c1)CCCCCC2	GD-id_ZINC09813599,PC-id_41226749	489.608	KOGHODGNNJBFGQ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-149646
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(S(=O)(=O)N(C(C)C)C)ccc1)C#N	PC-id_42978301	489.608	ZRIGJNGNZGXASM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149647
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(NS(=O)(=O)c1ccccc1)C(C)C)C#N	PC-id_3439367	489.608	DYZWVTJBJJJLAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149648
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3cccc(c3)Oc3ccccc3)CCn12	PC-id_45168377,MCULE-1687390291,EMOLS-id_20391238	489.609	MVKKOXPIMYCRPU-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-149649
C1CC(CN(C1)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CCOc1ccccc1)CO	PC-id_134808670	489.609	TUIYVIXJDXRITN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149650
Cc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@@H](C)Cc2ccc4c(c2)OCO4)CC3)c(C)c1	CoCoCo_1548823,CoCoCo_1548825,PC-id_28811857,ZINC22_20272677	489.609	HPNZRGWIFPHHTB-FQEVSTJZSA-N	00000010100000110101000000001010000000000000000000000000	31-01-149651
Cc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@H](C)Cc2ccc4c(c2)OCO4)CC3)c(C)c1	CoCoCo_1548824,CoCoCo_1548826,PC-id_28811853,ZINC22_20272674	489.609	HPNZRGWIFPHHTB-HXUWFJFHSA-N	00000010100000110101000000001010000000000000000000000000	31-01-149652
CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2	CoCoCo_1120156,ZINC22_11841213,CoCoCo_1120157	489.609	MVKKOXPIMYCRPU-BKMJKUGQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-149653
CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2	CoCoCo_1120159,CoCoCo_1120158,ZINC22_11841208	489.609	MVKKOXPIMYCRPU-ATIYNZHBSA-N	00000010100000110101000000000010000000000000000000000000	31-01-149654
CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2	CoCoCo_1120163,ZINC22_11841210,CoCoCo_1120162	489.609	MVKKOXPIMYCRPU-GJZUVCINSA-N	00000010100000110101000000000010000000000000000000000000	31-01-149655
CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2	ZINC22_11841216,CoCoCo_1120161,CoCoCo_1120160	489.609	MVKKOXPIMYCRPU-NVQXNPDNSA-N	00000010100000110101000000000010000000000000000000000000	31-01-149656
CC(CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3C)n2CC1)Cc1ccc2OCOc2c1	ChEMBL-DNDi_CHEMBL76357225,PC-id_45237056,EMOLS-id_20685957,MCULE-3162620653	489.609	HPNZRGWIFPHHTB-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-149657
C[C@@H]1CN(C[C@@H](O1)C)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CCOc1ccccc1	PC-id_134806596	489.609	IEMWSPZFYWULIQ-SZPZYZBQSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149658
n12CCN(CCc1nnc2CCNC(=O)C1CCOCC1)Cc1cccc(c1)OCc1ccccc1	PC-id_28738930,MCULE-1567056741,CoCoCo_1219251,CoCoCo_1219252,EMOLS-id_20463683,ZINC22_20210486	489.609	SBALIIRZAPRTHC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149659
CCc1cc(=O)[nH]c2nnc(n12)SC(C)C(=O)Nc1c(c2c(s1)CCCCC2)C(=O)OCC	PC-id_136637010	489.611	XGXCKIKGDOMUSV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-149660
N#Cc1c(NC(=O)CSc2nnc(c3ccccc3)n2Cc2ccco2)sc2c1CCCCC2	MCULE-9198834425,ZINC22_9742454,PC-id_3576849,EMOLS-id_11720019,CoCoCo_3108933	489.612	IPLUOAFGGFSYQZ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-149661
N#Cc1c(NC(=O)CSc2nnc(c3ccco3)n2Cc2ccccc2)sc2c1CCCCC2	ZINC22_3296091,PC-id_2411707,MCULE-3813737790,EMOLS-id_43682082,CoCoCo_2799090	489.612	LCMSNSXQUHCVEX-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-149662
s1c(C[NH+]2CCn3c(nnc3CCNC(=O)c3ccc(OC)cc3)CC2)cnc1c1ccccc1	PC-id_42500013	489.612	CHLSXOJIPPAQFA-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149663
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cc(OC)ccc3)C)CC2)cnc1c1ccccc1	PC-id_42501305	489.612	MSPGTPRMAPZATQ-SFHVURJKSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149664
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(OC)ccc3)C)CC2)cnc1c1ccccc1	PC-id_42501307	489.612	MSPGTPRMAPZATQ-GOSISDBHSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149665
s1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)cnc1c1ccccc1	PC-id_42501356	489.612	HNNTYYURUDPSOQ-LJQANCHMSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149666
s1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)cnc1c1ccccc1	PC-id_42501358	489.612	HNNTYYURUDPSOQ-IBGZPJMESA-O	00000000100000110101100000000010000000000000000000000000	31-01-149667
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(OC)ccc3)C)CC2)cnc1c1ccccc1	PC-id_74808278	489.612	MSPGTPRMAPZATQ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149668
s1c(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)cnc1c1ccccc1	PC-id_74808284	489.612	HNNTYYURUDPSOQ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149669
c1(NC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_3311085,ZINC22_2745072,MCULE-2017821499,EMOLS-id_4166304,SPECS-id_AK-968/12384271,TIMTEC90511,CoCoCo_5819441	489.624	BYPAWKFSSMTVSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149670
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1)C(=O)OCCC	PC-id_4159946	489.624	CQUJPHOTJWCHOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149671
s1c2c(CCCCC2)c(c1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1)C(=O)OC(C)C	PC-id_4165377	489.624	BYKKZYOWNNBIKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149672
s1c2c(CCCCC2)c(c1N(C(=O)Cc1ccccc1)C(=O)Cc1ccccc1)C(=O)OCCC	PC-id_22305607	489.626	LKEYBMVSWOAHRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149673
c1(CN(C)C2CCN(CC2)c2ccc(cc2)C(=O)NCc2ccccc2F)c2CCCCCc2[nH]n1	CoCoCo_1555796,CoCoCo_1555801,CoCoCo_1555799,MCULE-2393969801,EMOLS-id_20690403,CoCoCo_1555795,CoCoCo_1555798,CoCoCo_1555800,PC-id_42479783,ZINC22_12242607,CoCoCo_1555797,CoCoCo_1555794	489.627	BLDIWPGZINZJQO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149674
COc1ccc(cc1)S(=O)(=O)N1CCc2c([C@H]([C@@H]1C(=O)O)CSc1ccccc1)ccs2	PC-id_139966497	489.627	IYAVENOVIRSRNH-IFMALSPDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149675
S(=O)(=O)(N1CC(c2c(scc2)CC1C(=O)O)CSc1ccccc1)c1ccc(OC)cc1	PC-id_54565143	489.627	ZTHBZUIZEOOLEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149676
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CSc1ccccc1)C(=O)O)c1ccc(OC)cc1	PC-id_53941423	489.627	IYAVENOVIRSRNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149677
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)CSc1ccccc1)C(=O)O)c1ccc(OC)cc1	PC-id_57175601	489.627	IYAVENOVIRSRNH-UNMCSNQZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149678
c1(c2CCCCCc2sc1N=Cc1ccc(cc1)N(C)C)C(=O)Nc1ccc(cc1)C(=O)OCC	MCULE-9067572165,PC-id_3774219	489.629	PDZHVBUSENODBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149679
CCOC(=O)c1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2ccc(cc2)N(C)C)cc1	CoCoCo_6728462,EMOLS-id_46413493,PC-id_9635323,ZINC22_101372780	489.629	PDZHVBUSENODBN-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149680
CCOC(=O)c1ccc(NC(=O)c2c(/N=Cc3ccc(N(C)C)cc3)sc3c2CCCCC3)cc1	CoCoCo_6728463,ZINC22_101892430,TIMTEC374960	489.629	PDZHVBUSENODBN-MIXAMLLLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149681
s1c2c(CCCCCC2)c(c1N=Cc1ccc(OCC(=O)N)cc1)C(=O)Nc1cc(c(cc1)C)C	PC-id_23791176	489.629	ILKTVPOJPPZRDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149682
s1c2c(CCCCCC2)c(c1N=Cc1ccc(OCC(=O)N)cc1)C(=O)Nc1cc(cc(c1)C)C	PC-id_23795629	489.629	WLAJUBVIYSFMFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149683
s1c2c(CCCCCC2)c(c1N=Cc1ccc(OCC(=O)N)cc1)C(=O)Nc1c(c(ccc1)C)C	PC-id_23987412	489.629	ZUQCPHTXPSSGTG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149684
s1c2c(CCCCCC2)c(c1N=Cc1ccc(OCC(=O)N)cc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_24072177	489.629	AUFDACXUOJIUCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149685
s1c2c(CCCCCC2)c(c1N=Cc1cc(OCC(=O)N)ccc1)C(=O)Nc1c(c(ccc1)C)C	PC-id_23761223	489.629	VOVLKGLMGNMDHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149686
s1c2c(CCCCCC2)c(c1N=Cc1cc(OCC(=O)N)ccc1)C(=O)Nc1cc(c(cc1)C)C	PC-id_23934312	489.629	MEUMDIFQYCMBGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149687
s1c2c(CCCCCC2)c(c1N=Cc1cc(OCC(=O)N)ccc1)C(=O)Nc1cc(cc(c1)C)C	PC-id_23940551	489.629	JEXOCPKLJNHFNR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149688
s1c2c(CCCCCC2)c(c1N=Cc1cc(OCC(=O)N)ccc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_23961708	489.629	KKTYBQBLUOBBCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149689
s1c2c(CCCCCC2)c(c1N=Cc1c(OCC(=O)N)cccc1)C(=O)Nc1cc(cc(c1)C)C	PC-id_23991784	489.629	BBBQFMKOLLWFQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149690
s1c2c(CCCCCC2)c(c1N=Cc1c(OCC(=O)N)cccc1)C(=O)Nc1c(c(ccc1)C)C	PC-id_24104613	489.629	DQFJTZNBFRTMKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149691
s1c2c(CCCCCC2)c(c1N=Cc1c(OCC(=O)N)cccc1)C(=O)Nc1c(ccc(c1)C)C	PC-id_24124474	489.629	WYCKLKHJXFYYOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149692
s1c2c(CCCCCC2)c(c1N=Cc1c(OCC(=O)N)cccc1)C(=O)Nc1cc(c(cc1)C)C	PC-id_24129887	489.629	JXGGADAUWCFZTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149693
COc1ccc(cc1)C1(CCCC1)C(=O)N1CCn2c(CC1)nnc2C(C(C)C)NS(=O)(=O)C	PC-id_45228551,ChEMBL-DNDi_CHEMBL64941834	489.631	WTWKOOXFVJQSIA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149694
COc1ccc(cc1)C1(CCCC1)C(=O)N1CCn2c(CC1)nnc2[C@@H](C(C)C)NS(=O)(=O)C	CoCoCo_1494304	489.631	WTWKOOXFVJQSIA-OAQYLSRUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149695
COc1ccc(cc1)C1(CCCC1)C(=O)N1CCn2c(CC1)nnc2[C@H](C(C)C)NS(=O)(=O)C	CoCoCo_1494305	489.631	WTWKOOXFVJQSIA-NRFANRHFSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149696
s1c2CCCCCc2cc1C(=O)NNC(=O)c1cc(S(=O)(=O)NCc2sccc2)ccc1	PC-id_31846639	489.631	QGASZMMLQNQIGC-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-149697
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)C=Cc1sccc1)C(=O)OCC	PC-id_4065842	489.631	NEKYYHHJWXJNPK-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-149698
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)/C=C/c1sccc1)C(=O)OCC	PC-id_6001606	489.631	NEKYYHHJWXJNPK-ZHACJKMWSA-N	00000000100100000101000000000010000000000000000000000000	31-01-149699
C=C/C=CC=C
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O=C(NC(CC(C)C)c1n2CCN(CCc2nn1)C(=O)c1ccc(cc1)c1ccccc1)C[NH+](C)C	PC-id_74801230	489.632	ZTJMIMUFIHHPAJ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149701
O=C(N[C@H](CC(C)C)c1n2CCN(CCc2nn1)C(=O)c1ccc(cc1)c1ccccc1)C[NH+](C)C	PC-id_42407802	489.632	ZTJMIMUFIHHPAJ-XMMPIXPASA-O	00000000100000110101100000000010000000000000000000000000	31-01-149702
O=C(N[C@@H](CC(C)C)c1n2CCN(CCc2nn1)C(=O)c1ccc(cc1)c1ccccc1)C[NH+](C)C	PC-id_42407804	489.632	ZTJMIMUFIHHPAJ-DEOSSOPVSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149703
s1c2CCCCCCc2cc1C(=O)Nc1ccc(CC(=O)N2CCN(CC2)c2ncccn2)cc1	PC-id_55647367	489.632	QGRSDQBGDSSJFT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149704
s1c2CCCCCc2c(c1NC(=O)CSc1n(c2c(n1)cc(S(=O)(=O)N)cc2)CC)C#N	PC-id_40111976	489.634	VVMUYRQNMZTACD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-149705
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NCOCCCC1CC1)(F)F	PC-id_145451960	489.638	SCNVVTQWAMQSTE-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-149706
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1sc2CCCCc2c1)CC)C(=O)OCC	PC-id_24110161	489.647	HCKFJQDFBFCSHC-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-149707
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1sc2CCCCc2c1)C)C(=O)OCC	PC-id_23831893	489.647	AYPQGKRFCXWCSK-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-149708
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)C)sc2c(CCCCC2)c1C(=O)NC	CoCoCo_5058687,EMOLS-id_5523559,PC-id_16825452,ZINC22_9599760,MCULE-7448520550	489.651	FKEBUGRTLADKGN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149709
CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C(=O)N	MCULE-1494326745,PC-id_4323046,EMOLS-id_4948561	489.651	PSMMEGQKLFWLCO-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149710
CCc1cc(ccc1N(CC1=CN=CC1)CCCCC(=O)c1c[nH]c2=CCC=CC=c12)c1ccccc1	PC-id_142177571	489.651	FQUIKELRIPDAPA-UHFFFAOYSA-N	00000011100000110110100000000010000000000000000000000000	31-01-149711
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)N)CCCCC4)cc2)C1	GD-id_ZINC04177363,CoCoCo_5015403,ZINC22_4177363,PC-id_40477649	489.651	PSMMEGQKLFWLCO-HZPDHXFCSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149712
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)N)CCCCC4)cc2)C1	PC-id_27602111,ZINC22_17244513,CoCoCo_5015402	489.651	PSMMEGQKLFWLCO-IYBDPMFKSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149713
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)N)CCCCC4)cc2)C1	ZINC22_4177361,PC-id_40477648,CoCoCo_5015401	489.651	PSMMEGQKLFWLCO-HOTGVXAUSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149714
CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2C)sc2CCCCCc12	MCULE-9811276736,EMOLS-id_5523561,PC-id_16825453	489.651	USUNUWCXGQMVDT-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149715
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CCCCC2	CoCoCo_5058689,ZINC22_9599762,PC-id_41140027	489.651	USUNUWCXGQMVDT-INIZCTEOSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149716
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CCCCC2	PC-id_41140026,CoCoCo_5058688,ZINC22_9599761	489.651	USUNUWCXGQMVDT-MRXNPFEDSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149717
S(=O)(=O)(N1CCCC1)c1ccc(cc1)CCC(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_25444228	489.651	VJZHHECCHFOQAJ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-149718
S(=O)(=O)(N1CCCCC1)c1ccc(cc1)CCC(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_43004230	489.651	FZXJVQRHFDKMEK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149719
S(=O)(=O)(N1C(CCCC1)C)c1cc(c(cc1)C)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N	PC-id_55334358	489.651	VWIOYORHSZVIPK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149720
S(=O)(=O)(N1CC(CCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC	PC-id_43947633	489.651	YFKACHFLTIDNNB-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149721
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1c(cc(cc1)C)C	PC-id_55334164	489.651	TZHZVKZZNISWEV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149722
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCCc2c1)c1ccc(cc1)C	PC-id_46656747	489.651	MAXJUUXDPMTCIR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149723
S(=O)(=O)(N1CCCCCC1)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC	PC-id_42388409	489.651	PCJRWZXEJXKJLN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149724
S(=O)(=O)(N1CCC(NC(=O)c2sc3c(CCCCCC3)c2)CC1)c1ccc(NC(=O)C)cc1	PC-id_24611585	489.651	BUACPHBRSIOEGZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149725
S(=O)(=O)(N(C1CCCCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N	PC-id_23940124	489.651	NYSDRRWQXMMFIC-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149726
O=C(Nc1nc2-c(n1)ccc(/N=N/c1ccc(OC)cc1)cc2)CCCCCCCCCCCCC	PC-id_85993422	489.652	RTDXFERQZTZXME-JEIPZWNWSA-N	00000010100000110111000000000010000000000000000000000000	31-01-149727
c1(c2CCCCCCCCCCc2sc1NC(=O)C1C2CCC(C2)C1C(=O)O)C(=O)OC(C)C	TIMTEC104778,MCULE-8846504191,PC-id_4578086,EMOLS-id_4166343	489.667	COLJMMIPQWNMNM-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149728
c1(NC(=O)C2C3CCC(C3)C2C(=O)O)sc2c(CCCCCCCCCCC2)c1C(=O)OCC	MCULE-6071534480,SPECS-id_AK-968/41923805,TIMTEC397880,PC-id_4564468,EMOLS-id_4166345	489.667	QDPCATIORLNJPG-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149729
CCCCCCCn1nc(c2c1C(CCCC2)Cc1cccc(c1)F)C(=O)N[C@H](c1ccccc1)C	PC-id_71067602,SCHEMBL14089544	489.667	JDEHOWIGZGLTPB-ZZHFZYNASA-N	00000000100000110101000000000010000000000000000000000000	31-01-149730
CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	PC-id_98288451,ZINC22_102188036	489.667	COLJMMIPQWNMNM-HXHBTQRASA-N	00000010100010000100000000000110000000000000000000000000	31-01-149731
CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	PC-id_98288452,ZINC22_102188039	489.667	COLJMMIPQWNMNM-GPHNJDIKSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149732
CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_239030914	489.667	COLJMMIPQWNMNM-MOXQZVSFSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149733
CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	ZINC22_239030915	489.667	COLJMMIPQWNMNM-YHDSQAASSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149734
CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCC2	CoCoCo_5825496,ZINC22_20549817,PC-id_29037375	489.667	COLJMMIPQWNMNM-KSCDAYEDSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149735
CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCC2	ZINC22_20549815,CoCoCo_5825501,PC-id_29037372	489.667	COLJMMIPQWNMNM-OSZJIOELSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149736
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	PC-id_98294361,ZINC22_102260055	489.667	QDPCATIORLNJPG-GPHNJDIKSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149737
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_102260053,PC-id_98294360	489.667	QDPCATIORLNJPG-HXHBTQRASA-N	00000010100010000100000000000110000000000000000000000000	31-01-149738
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_138472424	489.667	QDPCATIORLNJPG-YHDSQAASSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149739
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_138472540	489.667	QDPCATIORLNJPG-MOXQZVSFSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149740
CC(OC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCCCCCC2)C	CoCoCo_5825497	489.667	COLJMMIPQWNMNM-UDKICSLYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149741
CC(OC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCCCCC2)C	CoCoCo_5825498	489.667	COLJMMIPQWNMNM-GKJHBJHPSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149742
CC(OC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCCCCC2)C	CoCoCo_5825499	489.667	COLJMMIPQWNMNM-JZZBYWGLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149743
CC(OC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCCCCCC2)C	CoCoCo_5825500	489.667	COLJMMIPQWNMNM-KKXYHZGYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149744
CC(OC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCCCCC2)C	CoCoCo_5825502	489.667	COLJMMIPQWNMNM-XHIHJMKYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149745
CC(OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCCCCC2)C	CoCoCo_5825503	489.667	COLJMMIPQWNMNM-GMQQQROESA-N	00000010100010000100000000000110000000000000000000000000	31-01-149746
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCCCCCCC2	CoCoCo_6814190	489.667	QDPCATIORLNJPG-UDKICSLYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149747
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCCCCCC2	CoCoCo_6814191	489.667	QDPCATIORLNJPG-GKJHBJHPSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149748
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCCCCCC2	CoCoCo_6814192	489.667	QDPCATIORLNJPG-JZZBYWGLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149749
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)C3)sc2c1CCCCCCCCCCC2	CoCoCo_6814193	489.667	QDPCATIORLNJPG-KKXYHZGYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149750
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCCCCCC2	CoCoCo_6814195	489.667	QDPCATIORLNJPG-XHIHJMKYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149751
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)C3)sc2c1CCCCCCCCCCC2	CoCoCo_6814196	489.667	QDPCATIORLNJPG-GMQQQROESA-N	00000010100010000100000000000110000000000000000000000000	31-01-149752
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCCC2	PC-id_40737834,CoCoCo_6814194,ZINC22_8455346	489.667	QDPCATIORLNJPG-OSZJIOELSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149753
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCCC2	ZINC22_8455347,CoCoCo_6814189,PC-id_40737836	489.667	QDPCATIORLNJPG-KSCDAYEDSA-N	00000010100010000100000000000110000000000000000000000000	31-01-149754
Fc1cc(CC2c3n(nc(c3CCCC2)C(=O)NC(c2ccccc2)C)CCCCCCC)ccc1	PC-id_78000307	489.667	JDEHOWIGZGLTPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149755
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1ccc(F)cc1)C(=O)OCC	PC-id_20175940	489.669	FBKWZHOCTUECKH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149756
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1cc(F)ccc1)C(=O)OCC	PC-id_20175823	489.669	MRGCSJPWZANUFY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149757
CCN(CC)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c(OC)c1	ZINC22_408970461	489.672	IHEBOIFUAUFJFI-TWKHWXDSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149758
CCc1sc2c(c1CNC(=O)Nc1sc3c(c1C(=O)OC(C)(C)C)CCCCC3)CCNC2	SCHEMBL18501986	489.694	HVHHRSJCJDOBND-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-149759
COCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1ccc(s1)C[NH+]1CCCCC1)CC(C)C	GD-id_ZINC39421206,PC-id_51902751	489.697	KOFXJFQHQHKQFW-JOCHJYFZSA-O	00000000100110000101000000000010000000000000000000000000	31-01-149760
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(n(nc1)CC)C)C(=O)OCC	PC-id_20176192	489.697	NSCNRJVYOFMNGU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149761
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(n(nc1C)C)C)C(=O)OCC	PC-id_20176281	489.697	OFDOITFUEPZRNK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149762
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(nn(c1)CC)C)C(=O)OCC	PC-id_20176346	489.697	CLOLFIXTVAAMTD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149763
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(n(nc1)CC)C)C(=O)OC	PC-id_20176185	489.697	CZYXHNBDNLWQQV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149764
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(n(nc1C)C)C)C(=O)OC	PC-id_20176274	489.697	VEWKYMUKFUJKOJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149765
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(nn(c1)CC)C)C(=O)OC	PC-id_20176339	489.697	BKUPZHPPWCYZRJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149766
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(nn(c1)C)C)C(=O)OCC	PC-id_20176004	489.697	RANJXONTXNFBBX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149767
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1c(n(nc1)C)C)C(=O)OCC	PC-id_20176094	489.697	AYMWBZSNIHUALW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149768
s1c(C[NH+]2CCCCC2)ccc1CN1CCn2c(nnc2CC1)[C@@H](NC(=O)COC)CC(C)C	PC-id_51902750	489.697	KOFXJFQHQHKQFW-QFIPXVFZSA-O	00000000100110000101000000000010000000000000000000000000	31-01-149769
s1c(C[NH+]2CCCCC2)ccc1CN1CCn2c(nnc2CC1)C(NC(=O)COC)CC(C)C	PC-id_75741633	489.697	KOFXJFQHQHKQFW-UHFFFAOYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-149770
s1c2CCCCCc2c(c1NC(=O)C(Sc1sc(NCCc2sccc2)nn1)C)C#N	PC-id_24562947	489.7	PLTRHXGGJDUBAB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-149771
Ic1ccc(c(c1)Cl)Nc1sc2c(c1C(=O)N)CC(CNC2=O)(C)C	PC-id_57401988,SCHEMBL4502248	489.758	VYFAUKUIHFXSHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149772
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3cc4OCOc4cc3Cl)CCn12	PC-id_45179124,EMOLS-id_20437507,MCULE-5805539585	489.902	OMLFCIGTIZYNCC-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-149773
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	CoCoCo_1183114,CoCoCo_1183113,ZINC22_19838814	489.902	OMLFCIGTIZYNCC-CYBMUJFWSA-N	00000010100000110101000000001010000000000000000000000000	31-01-149774
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2	ZINC22_19838816,CoCoCo_1183116,CoCoCo_1183115	489.902	OMLFCIGTIZYNCC-ZDUSSCGKSA-N	00000010100000110101000000001010000000000000000000000000	31-01-149775
COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2ccc(OC)c(OC)c2Cl)CC3)o1	ZINC22_20454697,PC-id_28957231,CoCoCo_1246590,EMOLS-id_20482683,CoCoCo_1246589,MCULE-2653141036	489.952	XRAJACLZRXFGEB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-149776
Clc1ccc(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)C)cc1	PC-id_5244252	489.972	MAJWGEDDBMPSLZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149777
[Na+].c12-c(c(cc1C(=O)[O-])CCC/C=N/N=C(/Nc1ccc(Cl)cc1)S)ccc(cc2)C(C)C	CHEMBL296652	489.993	MOJRTENLOXXBIS-RRIBZKRYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-149778
C[C@H](c1nnc2n1CCN(CC2)Cc1ccc(o1)c1ccccc1Cl)NC(=O)c1ccccc1C	PC-id_28736336,CoCoCo_1212709,CoCoCo_1212710	489.997	DPSBLUWNILPPHL-LJQANCHMSA-N	00000000101000110101100000000010000000000000000000000000	31-01-149779
C[C@@H](c1nnc2n1CCN(CC2)Cc1ccc(o1)c1ccccc1Cl)NC(=O)c1ccccc1C	PC-id_28736341,CoCoCo_1212712,CoCoCo_1212711	489.997	DPSBLUWNILPPHL-IBGZPJMESA-N	00000000101000110101100000000010000000000000000000000000	31-01-149780
Clc1c(c2oc(CN3CCn4c(nnc4C(NC(=O)c4c(cccc4)C)C)CC3)cc2)cccc1	PC-id_45184052	489.997	DPSBLUWNILPPHL-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-149781
COCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)Cl)C(=O)O)C	PC-id_139605619	490.012	HEUNRDKLKAJXOV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-149782
Clc1c(cc(OCc2cc(sc2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1)C	PC-id_19483332	490.035	SURMAWAPTGHPJS-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-149784
Clc1cc(c(OCc2cc(sc2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1)C	PC-id_19486698	490.035	XAYRJZKRKSVZFX-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-149785
Clc1c(OCc2cc(sc2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc(cc1)C	PC-id_19488826	490.035	WXMYBAQCHUPVRH-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-149786
Clc1c(cc(S(=O)(=O)N(Cc2ccccc2)C)cc1)C(=O)Nc1sc2CCCCCc2n1	PC-id_24611784	490.038	MKJIQKWCKVYTHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149787
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)nc2)cc1	PC-id_20178621	490.041	IUUDYRORZNLKFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149788
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)nc2)cc1	PC-id_20178614	490.041	CGGVHLWQDPCEGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149789
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)nc2)ccc1	PC-id_20179161	490.041	PDUCNGYTSHKIFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149790
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)nc2)ccc1	PC-id_20179154	490.041	LZEZNWODLSTAPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149791
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)nc2)cccc1	PC-id_20178708	490.041	NKJGQMXNFSTPCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149792
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)nc2)cccc1	PC-id_20178701	490.041	DSVXWGKGCCEICO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149793
Clc1ccc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_22195865	490.058	IHMXFSYHHZRJOO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149794
Clc1ccc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_22195799	490.058	HFLOONDWVUDOSY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149795
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_22195288	490.058	JCXVISZUJHWJGC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149796
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_22195224	490.058	RIWBFCQBXDVDBB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149797
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(cc1)C	PC-id_22199312	490.058	DSEQNVVJSKJQOP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149798
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cccc1	PC-id_22194711	490.058	DAGIWIGKXYVHPD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149799
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(cc1)C	PC-id_22199258	490.058	NJHGYMVBGZCTQJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149800
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cccc1	PC-id_22194650	490.058	AJJPDCRQTPBEMG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149801
CCCCCCNCC1CCC(CC1)C(=O)N1C/C(=CCC/C(=CC)/Cl)/Nc2c(C1)cnn2C	PC-id_143188888	490.124	UJLIMISIGYHSOJ-MSUXZJNOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149802
CC1=CCC=C(C2=C1C(=CS2)COC3=CC=CC(=C3)NC(=S)C4=CC=CC=C4)C(=O)NCCO	PC-id_163788157	490.138	MUISWFWVWKPFML-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-149803
CC(C)N1C2=C(CCCN(CCCC2=O)C(=O)C3=CC(=NC(=C3)OC)C4=CC=C(C=C4)C(=O)O)C=N1	PC-id_155277230	490.222	UTYIFXYNKXLKPD-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-149804
C1CCc2c(CC1)sc(c2C(=O)Nc1ccccc1)NC(=O)C(F)(F)I	SCHEMBL20541700,PC-id_135362963	490.306	LVBBBPQEVDEZGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149805
Brc1cc(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)c(F)c(c1)C(=O)[O-]	PC-id_40049969	490.344	WMKXOXYOROPGRF-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-149806
Brc1cc(C(=O)NCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc1	PC-id_35691264	490.37	MYOWZSIZMJNQSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149807
c1(CN(c2ccc(cc2OC)OC)C(=O)Nc2ccc(c(Cl)c2)Cl)nnc2CCCCCn12	EMOLS-id_10085794,CoCoCo_2580191,ZINC22_16944605,PC-id_27441113,MCULE-5443685133	490.382	JZVICXJPGWRFNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149808
c1(CN(c2ccc(c(OC)c2)OC)C(=O)Nc2ccc(c(Cl)c2)Cl)nnc2CCCCCn12	PC-id_27444654,CoCoCo_2580302,MCULE-1953340441,EMOLS-id_10086810,ZINC22_16959923	490.382	UMKOIMWXDDGQGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149809
c1(CN(c2c(OC)ccc(OC)c2)C(=O)Nc2ccc(c(Cl)c2)Cl)nnc2CCCCCn12	PC-id_27441002,MCULE-4380456121,EMOLS-id_10085808,CoCoCo_2580267,ZINC22_16944252	490.382	QJJMOTBCWDVFGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149810
c1(nnc2CCCCCn12)N(Cc1ccc(cc1OC)OC)C(=O)Nc1ccc(c(Cl)c1)Cl	ZINC22_16769813,PC-id_4752655,MCULE-4333265524	490.382	UHRLMMNERVDQNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149811
c1(nnc2CCCCCn12)N(Cc1ccc(c(OC)c1)OC)C(=O)Nc1ccc(c(Cl)c1)Cl	PC-id_4752780,ZINC22_16769882,MCULE-9571171838	490.382	XQCPKHREXJNWSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149812
c1(nnc2CCCCCn12)N(Cc1cc(OC)ccc1OC)C(=O)Nc1ccc(c(Cl)c1)Cl	MCULE-5009622810,ZINC22_16769821,PC-id_4752661	490.382	WEBNPXXLWKXFQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149813
COc1ccc(cc1OC)N(Cc1nc2CCCCCn2n1)C(=O)Nc1ccc(Cl)c(Cl)c1	EMOLS-id_32196031,PC-id_16458914,ZINC22_28534707,CoCoCo_6602518,MCULE-4797838591	490.382	QSZZGHMTCPZGQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149814
COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1	PC-id_16458786,ZINC22_28527852,MCULE-1146459030,CoCoCo_6602048	490.382	XDJRRFZWNKPRKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149815
COc1ccc(OC)c(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)c(Cl)c2)c1	MCULE-4025191424,PC-id_16458792,ZINC22_28527864,CoCoCo_6602054	490.382	AFQMFDSALXELFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149816
CC(C)(C)C(=O)COC1CCCCCc2c1nnn2CCCC[C@H](C(=O)C(C)(C)C)NC(C)(C)C	PC-id_163544969	490.388	FEGNTFMUNWMSLW-PSDZMVHGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149817
Brc1ccc(cc1)S(=O)(=O)NC1COc2n(C)nc(c2C=C(C1)S(=O)(=O)C)C	EMOLS-id_323943917,PC-id_146160655	490.392	LJEKEKNQUWYHKK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-149818
CCCCCCCCNc1nc(=O)c2c(nc(Br)n2Cc2ccc(OC)cc2)c(=O)[nH]1	PC-id_15955477,CHEMBL200264	490.393	QPWQAFDOXIQIAQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-149819
CCCCCCCCNc1nc(=O)c2c(nc(Br)n2COCc2ccccc2)c(=O)[nH]1	CHEMBL199423,PC-id_15955482	490.393	KVHZGIUJMFNFLN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-149820
O=C(N1CCCn2c(C1)cc(n2)C(=O)NC1CC1)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16129730,PC-id_117616541	490.399	MAIBZYCGMKYCAA-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-149821
Brc1ccc(NC(=O)CN(CCC(=O)Nc2sc3CCCCCc3c2C#N)C)nc1	PC-id_56483606	490.417	XZQVCJUJEKRDKS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-149822
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C#N	PC-id_4275840	490.419	AUYPQHMGCKMUHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149823
O=C(N1CCCn2c(C1)cc(n2)C(NC1CC1)C)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700505	490.442	BZSLDOMCOLXWLP-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-149824
FC(Oc1ccccc1N1CCCOC(C1=O)C(C(=O)NCC1=CCC=c2c(=C1)onc2N)O)F	PC-id_144144309	490.457	ZDIVDPHARONBHB-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-149825
COCCN1CCNc2c(C1=O)n(c(n2)COc1ccccc1OC(F)(F)F)Cc1ccccc1	PC-id_134808307	490.475	YAVUMTJADBMNRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149826
FC(F)(F)c1n(ncc1C(=O)OCC)c1ccc(C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55652069	490.478	DAMWQNRUMKCGPS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149827
COc1ccc(cc1)C(=O)NCCc1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)OC(F)(F)F	PC-id_42379191,GD-id_ZINC12052724	490.498	PYXCRPKVWIYQFZ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-149828
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)cc1	PC-id_42422358	490.498	HDKCTBZATBQHMY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-149829
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_42501903	490.498	KWMNHVGJHJRNFP-QGZVFWFLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-149830
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_42501905	490.498	KWMNHVGJHJRNFP-KRWDZBQOSA-O	00000000100000110101000000000010000000000000000000000000	31-01-149831
FC(F)(F)Oc1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)cc1	PC-id_74808365	490.498	KWMNHVGJHJRNFP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-149832
s1c2c(CCCCC2)c(c1NC(=O)c1nn(c2c(cccc2)C(F)(F)F)c(cc1=O)C)C(=O)N	PC-id_55395693	490.498	CGWZSTYSMXUFKE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149833
s1c2CCCCCc2c(c1NC(=O)CN1C(=O)C(NC1=O)(c1cc(ccc1)C(F)(F)F)C)C#N	PC-id_46484625	490.498	NIWFXMDXOFSDJD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149834
CCOC(=O)N(C(C1Cc2oc(cc2C(=O)CN1C(=O)OCC)C)C(=O)O)CCc1ccc(o1)C	SCHEMBL3575027,PC-id_68698546	490.503	BMUSLGKEXHXXQN-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-149835
CC(CN1Cc2c(C1=O)cc(cc2)OC)(c1cc2c(o1)C=CC(=NC2)C(=N)N)C(=O)NC(=O)C1CN1	PC-id_91581022	490.511	XGGBOKHMSQBYLP-UHFFFAOYSA-N	00100010100000100110000000001010000000000000000000000000	31-01-149836
C1(c2cccc(c2)C(F)(F)F)(CC(=O)N(C)Cc2c3CCCCCc3[nH]n2)CC(=O)N(CC)C1=O	MCULE-1047648802,EMOLS-id_68868717,PC-id_118753972	490.518	OEZIJLKCPPVJGA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149837
CCN1C(=O)C[C@@](CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)(c2cccc(C(F)(F)F)c2)C1=O	ZINC22_299766432	490.518	OEZIJLKCPPVJGA-DEOSSOPVSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149838
CCN1C(=O)C[C@](CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)(c2cccc(C(F)(F)F)c2)C1=O	ZINC22_299766437	490.518	OEZIJLKCPPVJGA-XMMPIXPASA-N	00000010100000110101100000000010000000000000000000000000	31-01-149839
Fc1cccc(c1)C(=O)NCc1nnc2CCN(CCn12)C(=O)CN1CC(CC1=O)c1ccccc1	MCULE-5051117718,PC-id_45235133,EMOLS-id_20677857	490.529	ZWDHIZAQGVPEAC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149840
O=C(NCc1nnc2n1CCN(C(=O)CN1C[C@@H](c3ccccc3)CC1=O)CC2)c1cccc(F)c1	ZINC22_12454121	490.529	ZWDHIZAQGVPEAC-FQEVSTJZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149841
O=C(NCc1nnc2n1CCN(C(=O)CN1C[C@H](c3ccccc3)CC1=O)CC2)c1cccc(F)c1	ZINC22_12454124	490.529	ZWDHIZAQGVPEAC-HXUWFJFHSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149842
CN1NC(C)(C)CNc2c(C1=O)c(n(c2)Cc1ccc(cc1)C(F)(F)F)S(=O)c1ccccc1	PC-id_144007106	490.541	XKMRSBYZQLICFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149843
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(=O)c1c(cccc1)C(F)(F)F)C#N	PC-id_55627342	490.541	JLTPHFABASXHNJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149844
s1c2CCCCCc2c(c1NC(=O)CSc1n(N)c(nn1)c1ccc(OC(F)F)cc1)C#N	PC-id_4571908	490.549	MEIFDVXQALXDEP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149845
C1COCCC1CN1CCNc2c(C1=O)n(c(n2)COc1cc2c(cc1)OCO2)Cc1ccccc1	PC-id_134809021	490.551	VSVXNUOVISAWGG-UHFFFAOYSA-N	00000010100010110101000000001010000000000000000000000000	31-01-149846
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(C(=O)CCc3ccc4c(OCO4)c3)CCn12	EMOLS-id_20591353,MCULE-1279920064,PC-id_45214507	490.554	ALFMYYJHXSOUQM-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-149847
CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)CCc1ccc3c(c1)OCO3)CC2	PC-id_26355853,ZINC22_15000087,CoCoCo_1405376	490.554	ALFMYYJHXSOUQM-XMMPIXPASA-N	00000010100000101101000000001010000000000000000000000000	31-01-149848
CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(C(=O)CCc1ccc3c(c1)OCO3)CC2	PC-id_26355856,ZINC22_15000090,CoCoCo_1405375	490.554	ALFMYYJHXSOUQM-DEOSSOPVSA-N	00000010100000101101000000001010000000000000000000000000	31-01-149849
CN1CCN(CC1)C(=O)c1cccc(c1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965684,PC-id_89580102	490.554	WRNZJENJEXHQMV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149850
CN1CCN(CC1)C(=O)c1ccc(cc1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965690,PC-id_89580107	490.554	BPJGWWDGCXKJAA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149851
COc1ccc(cc1)C(=O)CCC(=O)N1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1	EMOLS-id_20601549,ZINC22_12149932,MCULE-4826454758,PC-id_42430068,CoCoCo_1420472	490.554	LIQKCDITEXZSAR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-149852
O=C1CNC(=O)[C@H](C)NC(Cc2ccccc2)c2oc([C@@H](NC(=O)[C@@H](N1)Cc1ccccc1)C)nn2	PC-id_122164908	490.554	FFWFQKIOJXHRPR-SLTGRBBCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149853
c1ccc2-c(cc1)c(cc2)N=Nc1cccc(c1)N=Nc1cccc(c1)N=Nc1ccc2-c1ccccc2	PC-id_101551455	490.557	IYHLYVKSWIDQNN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-149854
c1ccc2-c(cc1)c(cc2)N=Nc1ccc(cc1)N=Nc1ccc(cc1)N=Nc1ccc2-c1ccccc2	PC-id_101551460	490.557	QQIFSBDTLYVVNH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-149855
O=c1n2CCCCCc2nn1CC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c2ncccn2)cc1	PC-id_55672938	490.557	KPHSDNUOPLDHHB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149856
O=C1C(CCn2c(N1C)cc(n2)/C=C/CN1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367276	490.558	KZDUFDVVFZXCJG-VMPITWQZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149857
O=C1C(CCn2c(N1C)cc(n2)CCN1CC2CC1CO2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL19659441	490.558	OZIPXCXDJLHOCY-UHFFFAOYSA-N	00000010100000110101000000000110000000000000000000000000	31-01-149858
O=C1[C@@H](CCn2c(N1C)cc(n2)CCN1CC2CC1CO2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367416	490.558	OZIPXCXDJLHOCY-XVAXZDLZSA-N	00000010100000110101000000000110000000000000000000000000	31-01-149859
O=C1[C@H](CCn2c(N1C)cc(n2)CCN1CC2CC1CO2)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367417	490.558	OZIPXCXDJLHOCY-CBNMVNINSA-N	00000010100000110101000000000110000000000000000000000000	31-01-149860
CC(CC(C(=O)NC1Cc2coc(n2)CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109806,PC-id_138730651	490.572	MIZVWLAVSSMJSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149861
CC(CC(C(=O)NC1CCc2cnoc2CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730433,SCHEMBL21109588	490.572	NTCHOHOZEDOQBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149862
CC(CC(C(=O)NC1CCc2noc(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731948,SCHEMBL21111214	490.572	ZIZFHXZSFFMTRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149863
CC(CC(C(=O)NC1CCCc2noc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731154,SCHEMBL21110314	490.572	MQLKMYMCCLDAIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149864
CC(C(C(=O)NC1CCCc2cnoc2CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731152,SCHEMBL21110312	490.572	VJGYAGCTHDQYQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149865
s1c2c(CCCCC2)c(c1NC(=O)CSc1[n+]([nH]oc1=O)c1ccc(OC)cc1)C(=O)OC	PC-id_53292122	490.572	AZHYDMPRBDYNAN-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-149866
CC(C(C(=O)NC1Cc2ncoc2CCCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731206,SCHEMBL21110366	490.573	WAUNVWAWSUOBIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149867
COc1ccc(NC(=O)C(=O)NCc2nnc3n2CCCCC3)cc1S(=O)(=O)N1CCCCC1	PC-id_40175963,EMOLS-id_27440235,ZINC22_32937301,MCULE-9832145363,CoCoCo_4922293	490.576	XFHOQQLHDUREOV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149868
COc1ccccc1C(=O)NCc1nnc2n1CCN(CC2)C(=O)CCc1nc2c(s1)cccc2	PC-id_26353812,CoCoCo_1605277	490.577	JMDQHZABJYGCAQ-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-149869
CN1CCC(c2c(S1(=O)=O)ccn2CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)N=O	PC-id_91402364	490.591	RZFKEFSMKUNBKT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149870
CN1CCC(=NO)c2c(C1=O)n(cc2)CCCCN1CCC(CC1)S(=O)(=O)c1ccc(cc1)F	PC-id_88403903,SCHEMBL9040516	490.591	AXKQBYPRGGTUAD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149871
ON=C1CCN(S(=O)(=O)c2c1n(CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)cc2)C	PC-id_44214907,SCHEMBL6829999	490.591	XJAGHFKVYQZMEM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149872
O/N=C/1CCN(S(=O)(=O)c2c1n(CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)cc2)C	SCHEMBL6829997	490.591	XJAGHFKVYQZMEM-YYADALCUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149873
S1(=O)(=O)N(CC/C(=N/O)/c2n(CCCCN3CCC(CC3)C(=O)c3ccc(F)cc3)ccc12)C	PC-id_9935313	490.591	XJAGHFKVYQZMEM-QLYXXIJNSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149874
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)C#CC(O)(C)C)cc1	PC-id_42501834,GD-id_ZINC12283456	490.592	IJIAFXPGROJNHG-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-149875
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CCC(=O)O)ccc1)C(=O)OC	PC-id_18898256	490.592	JFPKEVVFIYQAJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149876
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)OC)C(=O)OC)C(=O)OCC	PC-id_20414543	490.592	GMMSACBLYBCONG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149877
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(=O)OC)C(=O)OC)C(=O)OCC	PC-id_20414620	490.592	GJISFBLTATYAFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149878
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)OC)C(=O)OC)C(=O)OC	PC-id_20414536	490.592	CMINGZQJTVBZCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149879
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(=O)OC)C(=O)OC)C(=O)OC	PC-id_20414613	490.592	PLPIBTMGODTHES-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149880
CCOc1cc(CCNC(=O)c2nn3c(c2)C(=O)N(CCC3)Cc2ccc(cc2)C)ccc1OCC	CHEMBL1494995,EMOLS-id_16324666,PC-id_16028372,MCULE-8536454277,CoCoCo_2544545	490.594	MRPYKVQNGIVPAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149881
O=C(NCCc1n2CCCCCc2nn1)C=Cc1cc(OCC)c(OCCOc2ccccc2)cc1	PC-id_55554088	490.594	DOCRSZXDJDHTQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149882
Fc1ccc(CC(=O)NCCc2nnc3CCN(Cc4cnc(s4)c4ccccc4)CCn23)cc1	ZINC22_19800285,MCULE-5402005534,CoCoCo_1489368,EMOLS-id_20647045,CoCoCo_1489369,PC-id_28363173	490.596	ZMSCXKUPLKJHJM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149883
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3cc4c(cccc4)[nH]3)CCn12	PC-id_45222842,EMOLS-id_20626453,MCULE-4940982951	490.597	YUHGCBINEIRMEF-UHFFFAOYSA-N	00000000101000100101000001100010000000000000000000000000	31-01-149884
C/C=C
/Nc2c(CN(C1=C)C(=O)c1ccc(c(c1)C)CCC(=O)N1CCN(CC1)C(=O)C)cnn2C	PC-id_143189009	490.597	QPRYKSJZLUUELX-GFXGDVFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149885
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cc4ccccc4[nH]2)CC3)o1	PC-id_26326309,ZINC22_14967238,CoCoCo_1457835,CoCoCo_1457836	490.597	YUHGCBINEIRMEF-QHCPKHFHSA-N	00000000101000100101000001100010000000000000000000000000	31-01-149886
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cc4ccccc4[nH]2)CC3)o1	PC-id_26326313,CoCoCo_1457834,ZINC22_14967242,CoCoCo_1457833	490.597	YUHGCBINEIRMEF-HSZRJFAPSA-N	00000000101000100101000001100010000000000000000000000000	31-01-149887
CN(Cc1ccccc1)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1C#N	PC-id_134809010	490.599	CBCCFYNRCZUDSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149888
CC(OC1CN(C1)C(=O)NCc1ccc(cc1C)c1ncnc(c1)Nc1nn2c(c1)CNCCC2)C	SCHEMBL16794016,PC-id_118139376	490.601	ZALRXEGXJDBJEA-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-149889
COc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(C)C)S(=O)(=O)[O-]	GD-id_ZINC13826322	490.612	JYACNKXMWAZTQY-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-149890
COC1CCN(C(=O)c2c1cn(c2)Cc1ccccc1)CCCN1CCN(CC1)c1ccc(cc1)F	PC-id_22738093,SCHEMBL6774284	490.612	SZYGBTJNAUKYIU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149891
COC1CCN(C(=O)c2c1n(cc2)Cc1ccccc1)CCCN1CCN(CC1)c1ccc(cc1)F	SCHEMBL6773415,PC-id_22738067	490.612	OVPANSFYPAPBRH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149892
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)c(C)cn2Cc1ccccc1)O	PC-id_22737977,SCHEMBL6775730	490.612	JBPOMWOHUPBZDO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149893
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)OCc1ccccc1	PC-id_22738088,SCHEMBL6774810	490.612	IBJVNUYSCFANLY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-149894
CCOC(=O)COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1	ZINC22_408970887	490.614	ADLGSEATYOURTN-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149895
CCOC(=O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408972513	490.614	UTKZOZDHBPVKJG-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149896
COC1=CCc2c(C=C1)sc(n2)N/C(=C/C=C(/c1ccc(cc1)C(=O)CC(C(=O)O)(C)C)C=C)/C	PC-id_142968902	490.614	YPWYRTCCFVQDCE-NDILIQOGSA-N	00000000100000110111000000000010000000000000000000000000	31-01-149897
N#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)c3ccccc3F)CC2)sc2c1CCCCC2	EMOLS-id_48933402,MCULE-2242126481,PC-id_16328632,CoCoCo_3574868,ZINC22_23882143	490.614	QZCNBVWJOVYIKX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149898
N#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)sc2c1CCCCC2	MCULE-5433560070,EMOLS-id_11757676,ZINC22_23817137,CoCoCo_3581055,PC-id_16323735	490.614	GZRGAVIIBQLXFC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149899
N#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc2c1CCCCC2	CoCoCo_3574293,EMOLS-id_48933172,PC-id_16324345,MCULE-5995852078,ZINC22_23756143	490.614	RYPZYLDEKOSEEU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149900
S(=O)(=O)(N1CCN(CC1)C(C(=O)Nc1sc2c(CCCCC2)c1C#N)C)c1c(F)cccc1	PC-id_49828360	490.614	PLTIIJSJFOCUAG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149901
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCCC2)c1C#N)c1ccc(F)cc1	PC-id_22200317	490.614	AAFMFSOJMQVVPZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-149902
NC(=O)c1c(sc2c1C(CCCC2)S(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1	PC-id_143219622	490.615	ULOHVPDCQZCEPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149903
s1c2CCCCCCc2cc1C(=O)OCC(=O)N(CCCC)c1c(n(CCC)c(=O)[nH]c1=O)N	PC-id_16512677	490.616	LTYRDUBMUINTLE-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-149904
Cc1ccc(c(c1)C)C(=O)NCCc1nnc2n1CC[N@@H+](CC2)C[C@H](Cc1ccc2c(c1)OCO2)C	PC-id_28811856,GD-id_ZINC20272677	490.617	HPNZRGWIFPHHTB-FQEVSTJZSA-O	00000010100000110101000000001010000000000000000000000000	31-01-149905
O1c2cc(CC(C[NH+]3CCn4c(nnc4CCNC(=O)c4c(cc(cc4)C)C)CC3)C)ccc2OC1	PC-id_74570218	490.617	HPNZRGWIFPHHTB-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-149906
O1c2cc(C[C@H](C[NH+]3CCn4c(nnc4CCNC(=O)c4c(cc(cc4)C)C)CC3)C)ccc2OC1	PC-id_28811852	490.617	HPNZRGWIFPHHTB-HXUWFJFHSA-O	00000010100000110101000000001010000000000000000000000000	31-01-149907
O1CCC(CC1)C(=O)NCCc1n2CC[NH+](CCc2nn1)Cc1cc(OCc2ccccc2)ccc1	PC-id_42162451	490.617	SBALIIRZAPRTHC-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-149908
S(=O)(=O)(N(CC)CC)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(N2CCCC2)cc1	PC-id_55561694	490.619	NPCCAELTYXFSHK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-149909
Cc1nc2c([nH]1)c(cc(n2)Nc1cc2n(c1)CCCCC2)Nc1ccc(cc1S(=O)(=O)C)C1CC1	PC-id_142335123	490.62	VCLYKSDQCYHTNB-UHFFFAOYSA-N	00100000100000110101100001000010000000000000000000000000	31-01-149910
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)[O-])O3)sc2c1CCCCCCCCCCC2	GD-id_ZINC17143478,PC-id_27543476	490.632	NVYIPSZLOYKJNT-UDKICSLYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-149911
s1c(NC(=O)C2C3OC(C2C(=O)[O-])CC3)c(c2c1CCCCCCCCCCC2)C(=O)OCC	PC-id_74534907	490.632	NVYIPSZLOYKJNT-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-149912
s1c(NC(=O)[C@@H]2[C@H]3O[C@@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCCCCCCC2)C(=O)OCC	PC-id_27543473	490.632	NVYIPSZLOYKJNT-KKXYHZGYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-149913
s1c(NC(=O)[C@@H]2[C@@H]3O[C@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCCCCCCC2)C(=O)OCC	PC-id_40737917	490.632	NVYIPSZLOYKJNT-OSZJIOELSA-M	00000010100010000100000000000110000000000000000000000000	31-01-149914
s1c(NC(=O)[C@H]2[C@@H]3O[C@H]([C@@H]2C(=O)[O-])CC3)c(c2c1CCCCCCCCCCC2)C(=O)OCC	PC-id_40737919	490.632	NVYIPSZLOYKJNT-KSCDAYEDSA-M	00000010100010000100000000000110000000000000000000000000	31-01-149915
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3352003,CoCoCo_5015586,EMOLS-id_5471794,ZINC22_11852856,MCULE-7472554145	490.635	UQHKUUILNLGFHX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149916
CC/C=C(/c1ccc(c(c1)C)F)C=C(c1ccccc1)/NCC(=O)N1CCc2c(CC1)nc(s2)N	SCHEMBL15033162	490.635	AYGCYSYRJMKGSH-ABPJDZBDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149917
CCC=C(C=C(c1ccccc1)NCC(=O)N1CCc2c(CC1)sc(n2)N)c1cc(c(cc1)F)C	PC-id_89630287	490.635	AYGCYSYRJMKGSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149918
CCCOC(=O)c1c(sc2c1CCCCC2)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1	PC-id_143831969	490.635	WSTAGTUJIOOLQT-LJQANCHMSA-N	00000010100000110100000000000010000000000000000000000000	31-01-149919
Fc1c(CNC(=O)c2ccc(N3CCC([NH+](Cc4n[nH]c5c4CCCCC5)C)CC3)cc2)cccc1	PC-id_42479782	490.635	BLDIWPGZINZJQO-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-149920
s1c2c(CCCCC2)c(c1NC(=O)CCCSc1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_41086630	490.635	CRLIPTPOWLRAEW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149921
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccc(cc1)C	PC-id_16923769	490.635	JNILZONOJFKARO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-149922
S(=O)(=O)(N1CCCCC1)c1c(ccc(NC(=O)COC(=O)c2sc3CCCCCc3c2)c1)C	PC-id_16509478	490.635	DDDOEQYVJZAFAP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149923
S(=O)(=O)(N1C(CCCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_23824564	490.635	MYKCZSCSIFETQZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149924
S(=O)(=O)(N1CC(CCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_24097004	490.635	REFUQVQMCVCZMJ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149925
S(=O)(=O)(N1CCC(CC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_24126029	490.635	BZUQNRQSWCUTMF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149926
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccc(cc1)C	PC-id_16862901	490.635	WOTQWDFGZFPRMN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149927
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccc(cc1)C	PC-id_41831693	490.635	LMSJRGJZDAPBFX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149928
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccccc1	PC-id_16861633	490.635	WJVBGARUXMEWOD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-149929
S(=O)(=O)(N1CCCCCC1)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_23880121	490.635	RAKNULFHENDBSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149930
S(=O)(=O)(N1CCCCCC1)c1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)ccc1	PC-id_16509392	490.635	NVSZPLKVPBCCTC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149931
S(=O)(=O)(N(C1CCCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_43947334	490.635	FBGGPLQUNMKZJZ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-149932
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1)C(=O)NN(C)C	EMOLS-id_5523581,MCULE-2482170385,PC-id_16825455,CoCoCo_5058703	490.639	NDSZEOYZFGTFFH-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-149933
S(c1n(c(nn1)C1CC1)CC1OCCC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_19726613	490.639	MVSDSTNXBQLCDP-UHFFFAOYSA-N	00100010100000000101100000000010000000000000000000000000	31-01-149934
S(=O)(=O)(N1CCOCC1)c1ccc(N2CCN(CC2)C(=O)c2sc3c(CCCCC3)c2)nc1	PC-id_24584460	490.639	UXXIDKCUPYXFBV-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-149935
CCCn1c(CSc2nnc3n2CCCCC3)nc2cc(S(=O)(=O)N3CCOCC3)ccc12	EMOLS-id_11716781,CoCoCo_3654431,PC-id_16296372,MCULE-2490924615,ZINC22_9712920	490.642	PAYSKTYNHPVYLO-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-149936
c1(NC(=O)C(CC)Oc2ccc(c(C)c2)C)sc2c(CCCCC2)c1C(=O)NCc1ccccc1	PC-id_4513694,EMOLS-id_4166911,MCULE-1075108351,TIMTEC407032	490.657	QNTPUZLGQSNZMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149937
c1(sc2c(CCCCC2)n1)NC(=O)C(=Cc1ccc(c(OC)c1)OCCCCC)c1ccccc1	MCULE-9189073717	490.657	MGBGIGADENRKAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149938
CCCCCOc1ccc(/C=C(/C(=O)Nc2nc3CCCCCc3s2)c2ccccc2)cc1OC	EMOLS-id_334604405	490.657	MGBGIGADENRKAO-FCDQGJHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149939
CCCCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408972675	490.657	QOHLFKCJTLYJQY-TWKHWXDSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149940
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCCC2	PC-id_27878691,CoCoCo_6620674,ZINC22_18196203	490.657	QNTPUZLGQSNZMQ-DEOSSOPVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149941
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCCC2	ZINC22_18196201,PC-id_27878690,CoCoCo_6620675	490.657	QNTPUZLGQSNZMQ-XMMPIXPASA-N	00000000100000110100000000000010000000000000000000000000	31-01-149942
CCCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC	ZINC22_408970069	490.657	ZTCNLHUHRXVMMV-TWKHWXDSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149943
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OC(C)C	ZINC22_408971413	490.657	OAWFMZXSZBWCHL-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149944
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCC(C)C	ZINC22_408969568	490.657	QEAOGNKUFCZQBM-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149945
C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_4183359,ZINC22_9789256,PC-id_41214073	490.662	NUBCFIJVLNFMRK-HNNXBMFYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-149946
C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1sc2c(c1C#N)CCCCC2	PC-id_41214074,CoCoCo_4183358,ZINC22_9789257	490.662	NUBCFIJVLNFMRK-OAHLLOKOSA-N	00000010100000101100000000000010000000000000000000000000	31-01-149947
N#Cc1c(NC(=O)C(Sc2ccc(cn2)S(=O)(=O)N2CCCC2)C)sc2c1CCCCC2	EMOLS-id_43974527,PC-id_16333400,MCULE-6673659850	490.662	NUBCFIJVLNFMRK-UHFFFAOYSA-N	00000010100000101100000000000010000000000000000000000000	31-01-149948
s1c2CCCCCc2cc1C(=O)NNC(=O)C(SCC1=NC(=O)C2C(=C(SC2=N1)C)C)C	PC-id_75208289	490.662	LCIQEGWUJJEYBE-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-149949
s1c2CCCCCc2cc1C(=O)NNC(=O)C(SCc1[nH]c(=O)c2c(c(sc2n1)C)C)C	PC-id_46652989	490.662	ZDGPJVAUOUOHER-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-149950
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1sccc1)C(=O)OC	PC-id_19725672	490.662	QPASLJUJLJSMMH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-149951
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1sccc1)C(=O)OC	PC-id_19725817	490.662	PMXJQTVQHSKADD-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-149952
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1sccc1)C(=O)OCC	PC-id_19725523	490.662	YWEIWHWUBXNJAW-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-149953
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC)C(=O)OC	PC-id_19717710	490.662	WADVPLGCLSRKBH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-149954
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)C)C(=O)OC	PC-id_19718441	490.662	YQTGPPYHYMHPQJ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-149955
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)C)C(=O)OC	PC-id_19720735	490.662	UICYGRDHCPMNQU-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-149956
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)C)C(=O)OCC	PC-id_19717664	490.662	FUYRMVYSCOPFFR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-149957
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)CC)C(=O)OC	PC-id_20127533	490.662	CLLSOUVNYVHGNU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-149958
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)C)C(=O)OCC	PC-id_17303759	490.662	HUNOCMVDJUYIRF-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-149959
s1c2c(CCCCC2)c(c1NC(=O)C(SCC1=NC(=O)C2C(=C(SC2=N1)C)C)C)C(=O)N	PC-id_76228138	490.662	PYHHRLUIZSYXSM-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-149960
s1c2c(CCCCC2)c(c1NC(=O)C(SCc1[nH]c(=O)c2c(c(sc2n1)C)C)C)C(=O)N	PC-id_55334176	490.662	WOODGZKLHCGFRW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-149961
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1sccc1)C(=O)OC	PC-id_19725498	490.662	CELRGLKZLJZQQZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-149962
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)C)C(=O)OC	PC-id_19717589	490.662	YJGRNIOWPCOLND-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-149963
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)C)C(=O)OC	PC-id_20127486	490.662	TVUKYPAVCQOYDW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-149964
S(=O)(=O)(N1CCCCC1)c1ccc(SCC(=O)Nc2sc3CCCCCc3c2C#N)nc1	PC-id_30117418	490.662	JAKJRYCSFVZDPF-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-149965
s1c2c(CCCCCC2)c(c1NC(=S)NCc1cc(OCC)c(OCC)cc1)C(=O)OCC	PC-id_20172411	490.678	WBSZVXXEPGCUSN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149966
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC1COC1	PC-id_138670737	490.682	QZCNUDBNWZDMIA-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-149967
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s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)CC)C(=O)OCC	PC-id_20125661	490.682	JPNOHIOJFPDPLM-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-149969
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)CC)C(=O)OC	PC-id_20128477	490.682	QENHGQYXUDJGTE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149970
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)C)C(=O)OCC	PC-id_17303994	490.682	CHFBRVBOAXACFR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149971
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)C)C(=O)OC	PC-id_20125769	490.682	PXWZVHSTKUITJE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149972
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)CC)C(=O)OC	PC-id_20125621	490.682	KJNMAALUJGZSOV-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-149973
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)C)C(=O)OC	PC-id_20128365	490.682	RDMKKIYMCAKTSW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149974
COCC(=O)N[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(s1)C[NH+]1CCCCC1)CC(C)C	PC-id_42451412,GD-id_ZINC12190421	490.705	KOFXJFQHQHKQFW-JOCHJYFZSA-P	00000000100110000101000000000010000000000000000000000000	31-01-149975
s1c(C[NH+]2CCCCC2)ccc1C[NH+]1CCn2c(nnc2[C@@H](NC(=O)COC)CC(C)C)CC1	PC-id_42451410	490.705	KOFXJFQHQHKQFW-QFIPXVFZSA-P	00000000100110000101000000000010000000000000000000000000	31-01-149976
s1c(C[NH+]2CCCCC2)ccc1C[NH+]1CCn2c(nnc2C(NC(=O)COC)CC(C)C)CC1	PC-id_74804228	490.705	KOFXJFQHQHKQFW-UHFFFAOYSA-P	00000000100110000101000000000010000000000000000000000000	31-01-149977
CC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1cnc(s1)C)C	PC-id_138671079	490.725	WTOUGVDESMKTIQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149978
CC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1cnc(s1)C)C	SCHEMBL21041445	490.725	WTOUGVDESMKTIQ-MXVIHJGJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-149979
Ic1ccc(c(c1)Cl)Nc1sc2c(c1C(=O)O)CC(CNC2=O)(C)C	PC-id_69073802,SCHEMBL4511989	490.743	QCZPZBSTMBQLLZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149980
Clc1c(C(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(Cl)ccc1Cl	PC-id_3389269	490.785	OZNLEVOBRKIKGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149981
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Clc1ccc(S(=O)(=O)N(c2ccc(OC(=O)Cn3nc4n(CCCCC4)c3=O)cc2)C)cc1	PC-id_43059504	490.96	BCOWIVJUDGNCGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-149987
Clc1c(C[NH+]2CCn3c(nnc3CNC(=O)c3oc(cc3)COC)CC2)ccc(OC)c1OC	PC-id_42320174	490.96	XRAJACLZRXFGEB-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-149988
c1(NC(=O)c2c(C)onc2c2c(cccc2F)Cl)sc2c(CCCCC2)c1C(=O)OCCC	TIMTEC288509,MCULE-3790841078,CoCoCo_6786863,ZINC22_2761080,EMOLS-id_4167017,SPECS-id_AK-968/15604256,PC-id_5095820	490.975	LLKUJCWMVBRMMP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149989
Clc1cc(c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1)C(F)(F)F	PC-id_19676156	490.99	HVGXOLHLSWLGOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149990
Clc1c(cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1)C(F)(F)F	PC-id_19676673	490.99	PADRKJDUJINNKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149991
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc(cc1)C(F)(F)F	PC-id_20412130	490.99	UCOSOIUJKVRGQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-149992
Clc1c(n(nc1C)Cc1c(noc1C)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_19442303	491.003	GZVJKFLUOHDZEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-149993
Clc1c(c2oc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)c4c(cccc4)C)C)CC3)cc2)cccc1	PC-id_42340519	491.004	DPSBLUWNILPPHL-LJQANCHMSA-O	00000000101000110101100000000010000000000000000000000000	31-01-149994
Clc1c(c2oc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)c4c(cccc4)C)C)CC3)cc2)cccc1	PC-id_42340520	491.004	DPSBLUWNILPPHL-IBGZPJMESA-O	00000000101000110101100000000010000000000000000000000000	31-01-149995
Clc1c(c2oc(C[NH+]3CCn4c(nnc4C(NC(=O)c4c(cccc4)C)C)CC3)cc2)cccc1	PC-id_74844176	491.004	DPSBLUWNILPPHL-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-149996
Clc1c(c2c(c(sc2)NC(=O)CSc2n3CCCCCc3nn2)C(=O)OCC)cccc1	PC-id_29459393	491.026	JJEHOFYMMIHGPD-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-149997
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cccc1	PC-id_19728083	491.026	ZXBFORZARWADFA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149998
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)ccc1	PC-id_19728385	491.026	QNTLIXSRLGKFJG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-149999
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc1	PC-id_19728653	491.026	CXFIMOOLHKOUCA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150000
Clc1ccc(cc1)N1CCN(CC1)CCCN1CCCc2c(C1=O)c(C)cn2Cc1ccccc1	SCHEMBL7494590,PC-id_22738120	491.067	IGPUJMKBNQJEGK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-150001
CC(=C)C(C)([C@H]1COC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)O	PC-id_155061970	491.114	ZXNYGYOVBALIMR-NYRJJRHWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150003
CCCC(C)(C)[C@H]1COc2c(n(cc2S(=O)(=O)N1)C)C(=O)Nc1c(c(c(cc1)F)C(F)F)F	PC-id_163938319	491.15	ROTDHHSBUZZWBA-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150004
CC(C)CC(C(=O)CC1CC2=NSC(=C2)CCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_146700336	491.155	QTIKSXLZISSGPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150005
CC(C)CC(C(=O)CC1CCC2=CSC(=N2)CCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_162055721	491.155	YZDOLHBFQWBAEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150006
CC(C)C(C(=O)CC1CC2=NC(=CS2)CCCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_161395087	491.155	VTMNBTSVKYWGFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150007
CC(C)C(C(=O)CC1CC2=NSC(=C2)CCCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_161344123	491.155	VNBMBIDDXFXTRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150008
CC(C)C(C(=O)CC1CCC2=C(CCCNC(=O)C1=O)C=NS2)NS(=O)(=O)C3=CC=CC=C3	PC-id_149551201	491.155	ZQJMQMOIWMRIBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150009
CC(C)C(C(=O)CC1CCC2=NC=C(S2)CCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_147948857	491.155	INFFLILRYFJZSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150010
CC(C)C(C(=O)CC1CCC2=NC(=CS2)CCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_148293199	491.155	KXRUKGHUJRJWGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150011
CC(C)C(C(=O)CC1CCC2=NSC(=C2)CCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_148010445	491.155	IYSCSFXFFZFZIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150012
C1C=C(c2c(C(=O)N1)[nH]c(c2Br)Br)NNc1ccc(cc1)S(=O)(=O)N	PC-id_91245331	491.158	HWRCIRPTOOTZEK-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-150013
C1CNC(=O)c2c(/C/1=NNc1ccc(cc1)S(=O)(=O)N)c(c([nH]2)Br)Br	PC-id_136383986,SCHEMBL3425716	491.158	BPHQCQWGANUCIK-NKVSQWTQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150014
C1CNC(=O)c2c(/C/1=N/Nc1ccc(cc1)S(=O)(=O)N)c(c([nH]2)Br)Br	SCHEMBL13341109,PC-id_135451033	491.158	BPHQCQWGANUCIK-ZVBGSRNCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150015
NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c(Br)c(Br)c23)cc1	BindingDB-id_111111,PC-id_136509095	491.158	BPHQCQWGANUCIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150016
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C	PC-id_155171345	491.209	LUTSUXIIEXUGQV-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150017
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCCOC	PC-id_160359408	491.228	QAFWBJHFDMSOJC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150018
CCC1=C(C(=O)NN=C1CC)CNC2=NC3=C(C=NO3)C(=NCC4=C(C(=NNC4=O)CC)CC)N=C2	MCULE-8756716786,PC-id_154753225,EMOLS-id_257922234	491.239	ICKWTIKEZHEYGC-UHFFFAOYSA-N	00000000100000100111000000000010000000000000000000000000	31-01-150019
CC1=NC=CC(=C1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_161536782	491.242	WLILRAAZXBPHGX-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-150020
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3CCN(CC3)C(=O)N(C)C	PC-id_155171393	491.311	RIDZLNZBGONRRZ-GOSISDBHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150021
Brc1cc(C(=O)O)c(c(c1)S(=O)(=O)NNC(=O)c1cc2c(s1)CCCCC2)F	PC-id_40049970,MCULE-5296438145,EMOLS-id_24006106,CoCoCo_4817671	491.352	WMKXOXYOROPGRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150022
Brc1n(c2n(c(=O)n(c(=O)c2n1)C)C)CC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_24685554	491.362	HSUADNVZELNFKB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-150023
Clc1c([C@@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3CCCCCc3c2C#N)C)ccc(Cl)c1	PC-id_38855787	491.39	XZNFQTWWRMPHAT-QFIPXVFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-150024
Clc1c([C@]2(NC(=O)N(C2=O)CC(=O)Nc2sc3CCCCCc3c2C#N)C)ccc(Cl)c1	PC-id_38855790	491.39	XZNFQTWWRMPHAT-JOCHJYFZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-150025
Clc1c(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3CCCCCc3c2C#N)C)ccc(Cl)c1	PC-id_45723561	491.39	XZNFQTWWRMPHAT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-150026
Clc1cc(C2(NC(=O)N(C2=O)CC(=O)Nc2sc3CCCCCc3c2C#N)C)ccc1Cl	PC-id_46583525	491.39	RAORIGNMHNLSNV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-150027
Clc1cc(c(NC(=O)c2sc3CCN(CCc3c2)C)c(O)c1)C(=O)Nc1ncc(Cl)cc1	PC-id_25116693	491.39	RRLRLLIGRUXITO-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-150028
Brc1cc(C2=NOC(C2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_19495608	491.398	WYFRHXTVEBOMJX-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-150029
Brc1cc(OCCCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc1	PC-id_3271148	491.398	DPWMMIOKTRHHHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150030
c1(NC(=O)c2c(Cl)cc(c(c2)S(=O)(=O)N)Cl)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_4472094,ZINC22_2339628,MCULE-8320774727,STOCK2S-97620,PC-id_1953281	491.408	QDUQIAQUCAQLCJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150031
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)Nc1ccc(cc1)OC(F)(F)F)[N+](=O)[O-]	SCHEMBL14966147,PC-id_89580439	491.42	DUYYBHKBXFUMEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150032
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)Nc1cc(ccc1)OC(F)(F)F)[N+](=O)[O-]	SCHEMBL14966152,PC-id_89580444	491.42	ZAEBOQDRPQJOKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150033
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)NC(=O)c1cc(ccc1)OC(F)(F)F)[N+](=O)[O-]	SCHEMBL14965916,PC-id_89580267	491.42	DZYAJLJWZWVTGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150034
FC(F)(F)Oc1ccc(C(=O)Nc2ccc(CN3CCn4c(OCC3)nc([N+](=O)[O-])c4)cc2)cc1	SCHEMBL14965959,PC-id_71525393	491.42	HJOUXTBRTBIGKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150035
FC(F)(F)c1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc(NC(=O)c2ccc(F)cc2)c1	PC-id_55764482	491.438	WIOBNJDYQOOKAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150036
FC(F)(F)c1c(NC(=O)Cn2nc3n(CCCCC3)c2=O)ccc(NC(=O)c2c(F)cccc2)c1	PC-id_55765647	491.438	BCGDQLSPBVIDKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150037
CCOC(=O)Oc1c(N)c(c2-c1ccc(cc2)C(C(=O)OCC)C(=O)NC(=O)N)OC(=O)OCC	SCHEMBL8472821,PC-id_17776130	491.448	KJRHRPBHCHWQEN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-150038
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)N2CCNC(=O)C2)ccc1)C(=O)OC	PC-id_55697981	491.58	NNUWYGHRRBGGOV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150075
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccc(cc1)OC)Nc1sc2c(CCCCC2)c1C#N	CoCoCo_1743486,EMOLS-id_4412164,ZINC22_13775045,PC-id_4610355,MCULE-9845708587,STOCK1S-85087	491.45	DBIHWZNKNZRDEQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150039
Clc1sc2CCCCN(c2c1)C(=O)c1c(Cl)cc(NC(=O)c2c(SC)cccc2)cc1	PC-id_69953236,SCHEMBL6987470	491.453	ZFDZWZKNZVMOOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150040
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)CNCc1ccc(cc1)OC(F)(F)F)[N+](=O)[O-]	SCHEMBL14966124,PC-id_89580419	491.463	UFDFSURPVCVKDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150041
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C#N)ccc1Cl	PC-id_22194738	491.476	QQUMYTNLHLLQHQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150042
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C#N)ccc(Cl)c1	PC-id_17263457	491.476	CVYHAMFYKAJKBO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150043
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C#N)c(Cl)ccc1	PC-id_22195568	491.476	KCSRAXRIFZWLST-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150044
C=C/C=C(/Cn1cnc2=CC(N=CN=c12)SCc1ccc(cc1)[N+](=O)[O-])C=C/COC(F)(F)F	PC-id_142815920	491.486	BAQZVUPDIPNGAM-SXWJATKCSA-N	00000000100000110111000000000010000000000000000000000000	31-01-150045
O=C(Nc1c(F)c(F)cc(c1F)F)NCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	SCHEMBL5236838,PC-id_21083262	491.501	BCPDUSXCMFSXIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150046
Cc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCC3C2CCN3)cc(c1)C(F)(F)F	PC-id_117616609,SCHEMBL16129801	491.506	METIRPVVRONBGC-UHFFFAOYSA-N	00000010100000110101000000000110000000000000000000000000	31-01-150047
FC(F)(F)C(=C(c1n2CCCCCc2nn1)C#N)OCC(=O)c1c(n(CC2OCCC2)c(c1)C)C	PC-id_5193727,MCULE-4797142913,EMOLS-id_26056934	491.506	VKXAGZBBGRBZBS-UHFFFAOYSA-N	00000010110000000101000000000010000000000000000000000000	31-01-150048
FC(F)(F)/C(=C(c1n2CCCCCc2nn1)/C#N)/OCC(=O)c1c(n(CC2OCCC2)c(c1)C)C	PC-id_6297209	491.506	VKXAGZBBGRBZBS-ZBJSNUHESA-N	00000010110000000101000000000010000000000000000000000000	31-01-150049
FC(F)(F)/C(=C(c1n2CCCCCc2nn1)/C#N)/OCC(=O)c1c(n(C[C@@H]2OCCC2)c(c1)C)C	CoCoCo_3163606,CoCoCo_3163610,PC-id_26889479	491.506	VKXAGZBBGRBZBS-QGSQVHNNSA-N	00000010110000000101000000000010000000000000000000000000	31-01-150050
FC(F)(F)/C(=C(c1n2CCCCCc2nn1)/C#N)/OCC(=O)c1c(n(C[C@H]2OCCC2)c(c1)C)C	GD-id_ZINC15982094,PC-id_26889478,CoCoCo_3163609,CoCoCo_3163604	491.506	VKXAGZBBGRBZBS-XENKUQMPSA-N	00000010110000000101000000000010000000000000000000000000	31-01-150051
N#C/C(=C(C(F)(F)F)/OCC(=O)c1cc(n(c1C)C[C@@H]1CCCO1)C)/c1nnc2n1CCCCC2	CoCoCo_3163605,CoCoCo_3163608,PC-id_92964147	491.506	VKXAGZBBGRBZBS-UBZKEQBWSA-N	00000010110000000101000000000010000000000000000000000000	31-01-150052
N#C/C(=C(C(F)(F)F)/OCC(=O)c1cc(n(c1C)C[C@H]1CCCO1)C)/c1nnc2n1CCCCC2	CoCoCo_3163607,CoCoCo_3163611,PC-id_92964148	491.506	VKXAGZBBGRBZBS-LLWUOSFCSA-N	00000010110000000101000000000010000000000000000000000000	31-01-150053
COC(=O)c1c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)sc2c1CCCCC2	CoCoCo_3122672,PC-id_16275985,EMOLS-id_16649458,MCULE-7751756203,ZINC22_8826385	491.514	JFUOKDPFTRYPDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150054
COc1cc(ccc1n1cnc(c1)C)/C(=C/N[C@H]1CCc2c(N(C1=O)CC(F)(F)F)ccs2)/N	PC-id_145535064	491.529	QLUFWPWJKANDEW-RNIVLKNTSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150055
CN1CCN(CC1)c1ccc(NC(=O)c2coc3CCCNC(=O)c23)c(Oc2ccc(CO)cc2)n1	BindingDB_PC-id_118252944,BindingDB-id_679660,PC-id_118252944,SCHEMBL16931271	491.539	JUMIAELLGMWUEC-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-150056
CN1NC(C)(C)CNc2c(C1=O)c(n(c2)Cc1ccc(cc1)C(F)(F)F)[SH+](=O)c1ccccc1	PC-id_144007107	491.549	XKMRSBYZQLICFD-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150057
COC(=O)c1c(NC(=O)COC(=O)Cc2cc(OC)c(OC)c(OC)c2)sc2c1CCCCC2	CoCoCo_2916961,MCULE-9601993980,PC-id_3948550,EMOLS-id_43722060,ZINC22_8883221	491.554	TVXCNQGOKWZFIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150058
CC(C[C@@H](C(=O)Nc1ccc(cc1)F)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332404	491.557	QSDTUWGMBLNWJQ-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150059
CC(C[C@H](C(=O)Nc1ccc(cc1)F)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332405	491.557	QSDTUWGMBLNWJQ-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150060
Fc1ccc(CNC(=O)CCN(C(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)CC)cc1	PC-id_42854961	491.557	IPJMZLMLIKFEBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150061
Fc1ccc(CNC(=O)C(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)C(C)C)cc1	PC-id_46049597	491.557	ALGYFNXRDOZNCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150062
Fc1ccc(NC(=O)C(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)CC(C)C)cc1	PC-id_46049901	491.557	QSDTUWGMBLNWJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150063
Fc1cc(NC(=O)C(NC(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)CC(C)C)ccc1	PC-id_46159966	491.557	YWSAGPAGLBXQIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150064
N#Cc1c(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)sc2c1CCCCC2	ZINC22_3325722,MCULE-6213524048,EMOLS-id_26044034,PC-id_2441318,CoCoCo_4952313	491.559	BTPYVJOBADAXNV-FQEVSTJZSA-N	00000000101000110100000000000010000000000000000000000000	31-01-150065
N#Cc1c(NC(=O)COC(=O)[C@H](NC(=O)c2ccco2)Cc2ccccc2)sc2c1CCCCC2	PC-id_2441320,CoCoCo_4952314	491.559	BTPYVJOBADAXNV-HXUWFJFHSA-N	00000000101000110100000000000010000000000000000000000000	31-01-150066
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(NC(=O)c1occc1)Cc1ccccc1)C#N	PC-id_5207386	491.559	BTPYVJOBADAXNV-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-150067
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCCN(CC1)c1ncc(cc1)C(F)(F)F)C#N	PC-id_46615188	491.572	VOABAPYFEJJIBN-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-150068
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CCCN(CC1)c1ncc(cc1)C(F)(F)F)C)C#N	PC-id_26375883	491.572	NZJFOPIJJJXISO-MRXNPFEDSA-N	00000000100000101101100000000010000000000000000000000000	31-01-150069
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CCCN(CC1)c1ncc(cc1)C(F)(F)F)C)C#N	PC-id_26375886	491.572	NZJFOPIJJJXISO-INIZCTEOSA-N	00000000100000101101100000000010000000000000000000000000	31-01-150070
s1c2c(CCCCC2)c(c1NC(=O)C(N1CCCN(CC1)c1ncc(cc1)C(F)(F)F)C)C#N	PC-id_24507180	491.572	NZJFOPIJJJXISO-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-150071
CCOC(=O)C1=CC(=C)C=C(c2c1scc2COc1cc(C)cc(c1)OCc1ccccc1F)N	SCHEMBL18639745	491.574	GSYULAWAAOBWBH-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-150072
CCOc1ccc(cc1)C[C@@H](C(=O)NC)NC(=O)[C@@H](CC(=O)NO)CCc1ccc2-c1ccccc2	PC-id_18395259,SCHEMBL8485648	491.579	FVFCVTPPWFBMHP-RDGATRHJSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150073
s1c2CCCCCc2c(c1NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C)C#N	PC-id_55927121	491.58	WTNWQNQFVUTADP-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150076
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)C)C#N	PC-id_55323776	491.58	WTNWQNQFVUTADP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150077
CC(C)CC(c1nnc2n1CCN(CC2)Cc1cc2ccccc2o1)NC(=O)c1ccc(o1)CCO	PC-id_90076033,SCHEMBL15614057	491.582	NFWNGBDBRNDZJR-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-150078
CC(CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1)Cc1ccc2OCOc2c1	MCULE-9466613215,PC-id_45212606,EMOLS-id_20583243	491.582	OGYWWMUTZWQDIC-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-150079
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1	ZINC22_14994756,CoCoCo_1393331,PC-id_26350222,CoCoCo_1393329	491.582	OGYWWMUTZWQDIC-HXUWFJFHSA-N	00000010100000110101000000001010000000000000000000000000	31-01-150080
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1	ZINC22_14994758,CoCoCo_1393328,CoCoCo_1393330,PC-id_26350226	491.582	OGYWWMUTZWQDIC-FQEVSTJZSA-N	00000010100000110101000000001010000000000000000000000000	31-01-150081
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(CC(C)Cc3ccc4OCOc4c3)CCn12	MCULE-6661459216,PC-id_45191382,EMOLS-id_20490667	491.582	IWIHZSGUEBWSHC-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-150082
COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@@H](C)Cc2ccc4c(c2)OCO4)CC3)cc1	CoCoCo_1257749,PC-id_42343142,ZINC22_11998209,CoCoCo_1257751	491.582	IWIHZSGUEBWSHC-IBGZPJMESA-N	00000010100000110101000000001010000000000000000000000000	31-01-150083
COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@H](C)Cc2ccc4c(c2)OCO4)CC3)cc1	PC-id_42343148,CoCoCo_1257752,CoCoCo_1257750,ZINC22_11998212	491.582	IWIHZSGUEBWSHC-LJQANCHMSA-N	00000010100000110101000000001010000000000000000000000000	31-01-150084
COc1cc(CN2CCc3nnc(CNC(=O)C4CCOC4)n3CC2)ccc1OCc1ccccc1	ChEMBL-DNDi_CHEMBL22084164,PC-id_45186405,MCULE-5570404534,EMOLS-id_20468845	491.582	HPXPXYJIVCNZQT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150085
COc1cc(CN2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)ccc1OCc1ccccc1	CoCoCo_1226779,ZINC22_20449619,PC-id_28953708,CoCoCo_1226777	491.582	HPXPXYJIVCNZQT-QFIPXVFZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150086
COc1cc(CN2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)ccc1OCc1ccccc1	PC-id_28953707,ZINC22_20449616,CoCoCo_1226780,CoCoCo_1226778	491.582	HPXPXYJIVCNZQT-JOCHJYFZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150087
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cc4ccccc4o2)CC3)o1	CoCoCo_1359033,PC-id_29258858,CoCoCo_1359032,ZINC22_20999530	491.582	AFRDOBOQLFEPDM-JOCHJYFZSA-N	00000000101000100101000001000010000000000000000000000000	31-01-150088
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cc4ccccc4o2)CC3)o1	CoCoCo_1359034,ZINC22_20999529,CoCoCo_1359035,PC-id_29258857	491.582	AFRDOBOQLFEPDM-QFIPXVFZSA-N	00000000101000100101000001000010000000000000000000000000	31-01-150089
COCc1ccc(o1)C(=O)NC(c1nnc2n1CCN(CC2)Cc1cc2c(o1)cccc2)CC(C)C	MCULE-4070847548,PC-id_45207286,EMOLS-id_20560415,SCHEMBL14135847	491.582	AFRDOBOQLFEPDM-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-150090
O=C1N(CCCn2nc(cc12)C(=O)N(CC(C)C)CCC(=O)NCc1occc1)Cc1ccccc1	PC-id_46049913	491.582	PCEYUCGDUDWHEF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150091
O/N=C/1CCN(S(=O)(=O)c2c1n(CCCC[N@@H+]1CC[C@H](CC1)C(=O)c1ccc(cc1)F)cc2)C	GLL_PC-id_44214907	491.599	XJAGHFKVYQZMEM-YYADALCUSA-O	00000000100010110101000000000010000000000000000000000000	31-01-150092
C=C/C=CC(=C(/C=C)F)\n1nc(c2c1CN(/C=C/C=C(/N1CCCCC1=O)C=C/C)CCC2)C(=O)N	SCHEMBL19112929	491.6	CFUQJPNJYMYJTP-YWFJRLBZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150093
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1[N+](=O)[O-]	ZINC22_409012028	491.602	HDXUCDISMBISLS-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-150094
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc1[N+](=O)[O-]	ZINC22_409020219	491.602	ZZKRECBMFAOAEX-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-150095
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)cc1[N+](=O)[O-]	ZINC22_409011138	491.602	DTYDQLYNQRQDBF-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-150096
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)cc1[N+](=O)[O-]	ZINC22_409020072	491.602	YXNPAUCZJJXTIN-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-150097
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCC(=O)N	ZINC22_408969182	491.602	ISNGIGKORJMRBN-MUFRIFMGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150098
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)/C=C/c1ccccc1)C#N	PC-id_32283606	491.602	ZXILSNLRZYOUNA-VAWYXSNFSA-N	00000000100010110100000000000010000000000000000000000000	31-01-150099
s1c2CCCCCc2c(c1NC(=O)COC(=O)C1CCN(CC1)C(=O)C=Cc1ccccc1)C#N	PC-id_74623942	491.602	ZXILSNLRZYOUNA-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-150100
COC(=O)c1c(NC(=O)COC(=O)CSc2ncnc3sccc23)sc2c1CCCCC2	CoCoCo_2882612,PC-id_16265944,EMOLS-id_11662306,MCULE-9631156514,ZINC22_13063015	491.604	XQUMLZZMWJVSHC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-150101
O=C(Cc1ccc(cc1)F)NCCc1nnc2n1CC[N@@H+](CC2)Cc1cnc(s1)c1ccccc1	GD-id_ZINC12217843,PC-id_42471519	491.604	ZMSCXKUPLKJHJM-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-150102
c1(NC(=O)c2cccc(c2)Cn2ncc(N(=O)=O)c2)sc2c(CCCCCCCCCC2)c1C#N	TIMTEC142676,EMOLS-id_4167437,ZINC22_2735532,PC-id_3257014,MCULE-3110588521	491.605	FEVJLGSSGMHUJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150103
CCn1c(nc(c1C)C(=O)Nc1[nH]c2=CC=CCC=c2n1)C1=CC=CC(C=C1)SC(C(=O)O)(C)C	PC-id_142239116	491.605	ZFYVACJRPIOOGJ-UHFFFAOYSA-N	00000000100000000111100000000010000000000000000000000000	31-01-150104
COCc1ccc(o1)C(=O)N[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1cc2c([nH]1)cccc2)CC(C)C	PC-id_26326312,GD-id_ZINC14967242	491.605	YUHGCBINEIRMEF-HSZRJFAPSA-O	00000000101000100101000001100010000000000000000000000000	31-01-150105
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1[nH]c2c(c1)cccc2)CC(C)C)c1oc(cc1)COC	PC-id_74496723	491.605	YUHGCBINEIRMEF-UHFFFAOYSA-O	00000000101000100101000001100010000000000000000000000000	31-01-150106
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1[nH]c2c(c1)cccc2)CC(C)C)c1oc(cc1)COC	PC-id_26326308	491.605	YUHGCBINEIRMEF-QHCPKHFHSA-O	00000000101000100101000001100010000000000000000000000000	31-01-150107
Cc1nc2c(Nc3ccc(cc3S(=O)(=O)C)C3CC3)cc(Nc3cc4CCCCCn4n3)nc2[nH]1	BindingDB-id_901149,SCHEMBL20092466,PC-id_134456075	491.608	RWUISQGLEFJAEG-UHFFFAOYSA-N	00100000100000110101100001000010000000000000000000000000	31-01-150108
c1(c2CCCCCc2sc1NC(=O)c1ccccc1F)C(=O)N1CCN(CC1)Cc1ccccc1	CoCoCo_700500,EMOLS-id_2105681,MCULE-3713088080,PC-id_1367432,ZINC22_19772278	491.62	CDDIMHFKWZCJOF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150109
Cc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(O)(C)C)S(=O)(=O)O	PC-id_139605644	491.62	SPPXKCMDVMREEP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150110
S(=O)(=O)(c1c2-c(c(c1)CCCCNS(=O)(=O)c1ccc(cc1)OC)ccc(cc2)C(C)C)O	PC-id_10480790,CHEMBL1205295	491.62	JYACNKXMWAZTQY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150112
N#Cc1c(NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)c2cccc(c2)F)sc2c1CCCCC2	GD-id_ZINC09792346,PC-id_41215517	491.622	GZRGAVIIBQLXFC-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-150113
S(=O)(=O)(N1CC[NH+](CC1)CCC(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccc(F)cc1	PC-id_41256538	491.622	RYPZYLDEKOSEEU-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-150114
S(=O)(=O)(N1CC[NH+](CC1)CCC(=O)Nc1sc2c(CCCCC2)c1C#N)c1c(F)cccc1	PC-id_41188907	491.622	QZCNBVWJOVYIKX-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-150115
S(=O)(=O)(N1CC[NH+](CC1)C(C)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1c(F)cccc1	PC-id_49828359	491.622	PLTIIJSJFOCUAG-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-150116
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCOC)CCOC)sc2c(CCCCC2)c1C#N	CoCoCo_3703320,PC-id_2329930,ZINC22_3209597,MCULE-7014336253,EMOLS-id_2943792	491.623	RTOWIYBSIIWGCD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150117
CC1CN(CC(C)O1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCCCc2c1C(=O)N	PC-id_4064782,EMOLS-id_5470477,MCULE-8595379635	491.623	PXFNOTNOSHCJAS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150118
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)N)CCCCC4)cc2)C[C@@H](C)O1	PC-id_25723733,ZINC22_13139703,CoCoCo_5014639	491.623	PXFNOTNOSHCJAS-GASCZTMLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150119
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)N)CCCCC4)cc2)C[C@H](C)O1	PC-id_41057038,CoCoCo_5014641,ZINC22_9404615	491.623	PXFNOTNOSHCJAS-GJZGRUSLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150120
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)N)CCCCC4)cc2)C[C@@H](C)O1	PC-id_42224119,CoCoCo_5014640,ZINC22_11852716	491.623	PXFNOTNOSHCJAS-HUUCEWRRSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150121
s1c2CCCCCc2cc1C(=O)NNC(=O)CCCN(S(=O)(=O)c1ccc(cc1)C(=O)C)C	PC-id_24554075	491.623	QYJPXBUUPXNDPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150122
S(=O)(=O)(N1CCCC1)c1c(OC)ccc(c1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_25443751	491.623	NWVBYMCSPAICNP-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-150123
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1ccc(OC)cc1	PC-id_16862885	491.623	TUKFOKGGNZPTRM-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-150124
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)c1ccc(OC)cc1	PC-id_41833928	491.623	ZTNFZGGIZIRDKI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-150125
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCCc2n1)c1c(cccc1)C(=O)OC	PC-id_56021593	491.623	HQUDIJCFIRUFBA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150126
S(=O)(=O)(N1CCN(CC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_23992496	491.623	QZGCTEQNAZWITO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150127
S(=O)(=O)(N1CCN(CC1)C)c1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_55697762	491.623	RNMZVEPZKXAHRQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150128
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccccc1	PC-id_2685651	491.623	XVDAKZWYBGSQDN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150129
S(=O)(=O)(N1CCOCC1)c1c(CC)ccc(c1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_46581183	491.623	ZYEOIAVGCUSYTP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150130
S(=O)(=O)(N1CC(OC(C1)C)C)c1cc(ccc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_46656945	491.623	DGMPPUJESODKEY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150131
S(=O)(=O)(N1CC(OC(C1)C)C)c1ccc(cc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_55349188	491.623	VAUQWJTXLGXNQQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150132
S(=O)(=O)(NCC1OCCC1)c1cc(ccc1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_46523871	491.623	CACRDJSJDMDJSB-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-150133
S(=O)(=O)(N(CC1OCCC1)C)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_18560876	491.623	OXWIGQNLLMAAMB-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-150134
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3ccc(cc3O)OC)CCn12	PC-id_45215350,EMOLS-id_20594935,MCULE-9695460598	491.625	JKEGUARSIZKIEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150135
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3cccc(OC)c3O)CCn12	EMOLS-id_20392670,MCULE-6747173457,PC-id_45168726	491.625	XEUPSPLTCCVSOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150136
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3cc(OC)ccc3O)CCn12	EMOLS-id_20461359,PC-id_45184607,MCULE-5189418618	491.625	PPKULHRNQJSJSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150137
c1(C(CC(C)C)NC(=O)C)nnc2CCN(Cc3ccc(c(OC)c3)OCc3ccccc3)CCn12	ChEMBL-DNDi_CHEMBL21219889,MCULE-5709248825,PC-id_45185164,EMOLS-id_20463693	491.625	GCXVDLZKQOWYIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150138
COc1cccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1O	CoCoCo_1122010,PC-id_42245997,CoCoCo_1122011,ZINC22_11880226	491.625	XEUPSPLTCCVSOP-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150139
COc1cccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1O	PC-id_42245999,CoCoCo_1122012,ZINC22_11880227,CoCoCo_1122013	491.625	XEUPSPLTCCVSOP-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150140
COc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c(O)c1	CoCoCo_1410616,PC-id_26358577,CoCoCo_1410615,ZINC22_15002746	491.625	JKEGUARSIZKIEL-DEOSSOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150141
COc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c(O)c1	PC-id_26358573,CoCoCo_1410614,ZINC22_15002743,CoCoCo_1410613	491.625	JKEGUARSIZKIEL-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-150142
COc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)C)n3CC2)ccc1OCc1ccccc1	CoCoCo_1219266,CoCoCo_1219267,PC-id_42162463,ZINC22_11782505	491.625	GCXVDLZKQOWYIE-DEOSSOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150143
COc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)C)n3CC2)ccc1OCc1ccccc1	ZINC22_11782504,PC-id_42162461,CoCoCo_1219265,CoCoCo_1219264	491.625	GCXVDLZKQOWYIE-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-150144
COc1ccc(O)c(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1	PC-id_26282360,CoCoCo_1215956,CoCoCo_1215955,ZINC22_14888584	491.625	PPKULHRNQJSJSE-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-150145
COc1ccc(O)c(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c1	PC-id_26282363,ZINC22_14888586,CoCoCo_1215958,CoCoCo_1215957	491.625	PPKULHRNQJSJSE-DEOSSOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150146
COCC(=O)NC(c1nnc2n1CCN(CC2)Cc1ccc(cc1)OCc1ccccc1)CC(C)C	PC-id_45195307,ChEMBL-DNDi_CHEMBL29418958	491.625	UDDBUPJPIMJNPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150147
COCC(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)OCc1ccccc1)CC(C)C	CoCoCo_1282674,PC-id_42274144,CoCoCo_1282675	491.625	UDDBUPJPIMJNPE-RUZDIDTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-150148
COCC(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1ccc(cc1)OCc1ccccc1)CC(C)C	PC-id_42274142,CoCoCo_1282677,CoCoCo_1282676	491.625	UDDBUPJPIMJNPE-VWLOTQADSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150149
s1c2c(CCCCC2)c(c1NC(=O)Cc1sc2c(c1OC)cccc2)C(=O)Nc1ncccc1	PC-id_76310343	491.625	CETFOONFBCFZRA-UHFFFAOYSA-N	00000000100000101100000001000010000000000000000000000000	31-01-150150
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(c2ccccc2)ccc1C#N)C(=O)OC	PC-id_24084199	491.625	VSXNEKAXAVKFRW-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-150151
Cc1noc(C)c1S(=O)(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC22_35400080,EMOLS-id_11770521,MCULE-8888916053,CoCoCo_4243346,PC-id_16332397	491.627	SPNBZLJPRPAQSA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150152
Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	CoCoCo_4243482,PC-id_41132073,ZINC22_35392959	491.627	GWLXOVKWJIAADH-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150153
Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC22_35392961,PC-id_41132075,CoCoCo_4243481	491.627	GWLXOVKWJIAADH-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150154
N#Cc1c(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2c(C)onc2C)C)sc2c1CCCCC2	PC-id_16335985,MCULE-4878344799,EMOLS-id_11776061	491.627	GWLXOVKWJIAADH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150155
c1(NC(=O)C2C3CCC(O3)C2C(=O)O)sc2c(CCCCCCCCCCC2)c1C(=O)OCC	MCULE-3688149343,TIMTEC344457,SPECS-id_AK-968/41924183,EMOLS-id_4167473,PC-id_3621283	491.64	NVYIPSZLOYKJNT-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-150156
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)O3)sc2c1CCCCCCCCCCC2	CoCoCo_6813724	491.64	NVYIPSZLOYKJNT-GKJHBJHPSA-N	00000010100010000100000000000110000000000000000000000000	31-01-150157
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)O3)sc2c1CCCCCCCCCCC2	CoCoCo_6813727	491.64	NVYIPSZLOYKJNT-JZZBYWGLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-150158
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@H]2C(=O)O)O3)sc2c1CCCCCCCCCCC2	CoCoCo_6813730	491.64	NVYIPSZLOYKJNT-GMQQQROESA-N	00000010100010000100000000000110000000000000000000000000	31-01-150159
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)O3)sc2c1CCCCCCCCCCC2	CoCoCo_6813731	491.64	NVYIPSZLOYKJNT-XHIHJMKYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-150160
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	PC-id_40737920,ZINC22_8455470,CoCoCo_6813725	491.64	NVYIPSZLOYKJNT-KSCDAYEDSA-N	00000010100010000100000000000110000000000000000000000000	31-01-150161
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	PC-id_99726649,ZINC22_169620051	491.64	NVYIPSZLOYKJNT-UBBRYJJRSA-N	00000010100010000100000000000110000000000000000000000000	31-01-150162
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_102032594,PC-id_98274711	491.64	NVYIPSZLOYKJNT-HXHBTQRASA-N	00000010100010000100000000000110000000000000000000000000	31-01-150163
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_102032597,PC-id_98274712	491.64	NVYIPSZLOYKJNT-GPHNJDIKSA-N	00000010100010000100000000000110000000000000000000000000	31-01-150164
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_169620050,PC-id_99726648	491.64	NVYIPSZLOYKJNT-YHBROIRLSA-N	00000010100010000100000000000110000000000000000000000000	31-01-150165
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_17143476,CoCoCo_6813729,PC-id_27543474	491.64	NVYIPSZLOYKJNT-KKXYHZGYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-150166
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_17143478,PC-id_27543477,CoCoCo_6813726	491.64	NVYIPSZLOYKJNT-UDKICSLYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-150167
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_8455469,CoCoCo_6813728,PC-id_40737918	491.64	NVYIPSZLOYKJNT-OSZJIOELSA-N	00000010100010000100000000000110000000000000000000000000	31-01-150168
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCCCCCCCC2	ZINC22_139092337	491.64	NVYIPSZLOYKJNT-RPHTVSPISA-N	00000010100010000100000000000110000000000000000000000000	31-01-150169
CCOC(=O)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCCCCCCCCC2	ZINC22_139092465	491.64	NVYIPSZLOYKJNT-MCEIDBOGSA-N	00000010100010000100000000000110000000000000000000000000	31-01-150170
COC(=O)c1c(NC(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)sc2c1CCCCC2	ZINC22_9684352,CoCoCo_2871175,EMOLS-id_11730966,MCULE-9356283605,PC-id_16306245	491.647	WMCDABGRYDNJFE-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-150171
s1c2c(CCCCC2)c(c1NC(=O)CSCC1=NC(=O)C2C(=C(SC2=N1)C)C)C(=O)OC	PC-id_73248367	491.647	CBGHMHISYSBDCC-UHFFFAOYSA-N	00000011100011000101000000000110000000000000000000000000	31-01-150172
CCn1c2c(CCCOCCCN(C2)Cc2ccc(cc2)OC)c(n1)CCCOCc1ccccc1	SCHEMBL20279966,PC-id_135133764	491.665	IIRWCBYVZRPGRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150173
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3c(s2)CCCCC3)c1	EMOLS-id_43802089,CoCoCo_3181355,PC-id_16232752,MCULE-1701247091,ZINC22_13150053	491.667	ZTWNQLSEUYOQQD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-150174
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCC)CCC)cc1)C(=O)NC	PC-id_42388408	491.667	SJXULGMXQCCTCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150175
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)CC)cc1)C(=O)NC	PC-id_42388426	491.667	PODFFFLEOSHSKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150176
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(=S)n(n1)c1ccccc1)C(=O)OC	PC-id_3911659	491.67	LBJFBYRAFHBQAO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150177
s1c2C(NC(Cc2c(c1NC(=O)CSc1n2CCCCCc2nn1)C(=O)OCC)(C)C)(C)C	PC-id_28003919	491.67	UYZKKUVYTPTLFA-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-150178
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC=C)C#N	PC-id_17303176	491.671	PVIHCVCWEVRBOV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150179
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC=C)C#N	PC-id_17303042	491.671	YMKYFFKVLBJVLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150180
c1(NC(=S)NNC(=O)c2cc3c(CCCCC3)s2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_4167501,PC-id_3269495,TIMTEC72090,CoCoCo_6799915,MCULE-3775273391	491.69	BEERHNNDUFJEPF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-150181
c1(NC(=S)NNC(=O)c2csc3CCCCc23)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC85656,CoCoCo_6799948,MCULE-8538057407,EMOLS-id_4167497,PC-id_3274172	491.69	BTBFTAAETNELLE-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-150182
c1(NC(=S)NNC(=O)c2csc3CC(C)CCc23)sc2c(CCCCC2)c1C(=O)OCC	MCULE-7115761064,PC-id_3268001,EMOLS-id_4167499,TIMTEC254856	491.69	JZYMLFGZTSDBSH-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-150183
CCOC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CC[C@H](C3)C)sc2c1CCCCC2	CoCoCo_6799903,PC-id_28698310	491.69	JZYMLFGZTSDBSH-CYBMUJFWSA-N	00000000100010000100000000010010000000000000000000000000	31-01-150184
CCOC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CC[C@@H](C3)C)sc2c1CCCCC2	PC-id_28698309,CoCoCo_6799902	491.69	JZYMLFGZTSDBSH-ZDUSSCGKSA-N	00000000100010000100000000010010000000000000000000000000	31-01-150185
Cc1ccc(cc2-c1c(cc2)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(C)(C)C)[O-])C(C)C	SCHEMBL12743807	491.706	YOKJXOGIRVSVDJ-NTZOJDBXSA-N	00000010100000000110000000000010000000000000000000000000	31-01-150186
CCCCOCCCNC[C@@H](CCCCCCCCCC1=CC(=O)c2c(C(C1O)C)ncn2C)O	PC-id_141827308	491.706	FKQJVTBZHAVQDU-FTVIIMBUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-150187
[O-][N+](=Cc1c2-c(c(c1)/C=C/c1c3-c(cc(C(C)C)ccc3C)cc1)c(ccc(c2)C(C)C)C)C(C)(C)C	PC-id_11496865	491.706	YOKJXOGIRVSVDJ-SMNBXFJRSA-N	00000010100000000110000000000010000000000000000000000000	31-01-150188
[O-][N+](=Cc1c2-c(c(c1)C=Cc1c3-c(cc(C(C)C)ccc3C)cc1)c(ccc(c2)C(C)C)C)C(C)(C)C	PC-id_72984288	491.706	YOKJXOGIRVSVDJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-150189
CCCCn1c(C)c2c(c1C)C=CC(=CC=CC=Cc1ccc3-c(cc1)c([n+](c3C)CCCC)C)C=C2	PC-id_102490698	491.729	YKRNMLWZYJNJRS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-150190
N(c1ccc(/C(=C/2C=CC(=[N+](C)C)C=C2)/c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)cc1)(C)C	PC-id_15778707	491.729	TTZQIHKGKSPZGI-UHFFFAOYSA-N	00000010100011110110000000000010000000000000000000000000	31-01-150191
Clc1c(ncc(Cl)c1Cl)C(=O)OCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_3952863	491.773	MYBZAEPCMAFLKZ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-150192
CC(C)OC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)C(F)(F)F)C(=O)c1cc(F)c(F)cc1Cl	SCHEMBL17777902,BindingDB-id_731692,PC-id_121358834	491.839	TZULTENNSVHTCO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-150193
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc(Cl)c(Cl)c1	PC-id_20415750	491.882	ZMDSUMPXMZUHRM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150194
Clc1c(OCC(=O)N)c(OC)cc(C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)c1	PC-id_41944870	491.945	DMGHGFBSDOPIFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150195
Clc1c(C(=O)NCc2n3CCCCCc3nn2)cc(S(=O)(=O)N(c2ccc(F)cc2)C)cc1	PC-id_46524831	491.966	KGUFGJUEXXJDIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150196
Clc1cc(S(=O)(=O)Nc2ccc(C(=O)NCCc3n4CCCCCc4nn3)cc2)ccc1F	PC-id_55534717	491.966	NETAYRUQBQCSNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150197
O=C(NCCc1nnc2n1CCCCC2)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl	PC-id_17407255,EMOLS-id_11923714,CoCoCo_4472999,ZINC22_9690424,MCULE-6890582996	491.966	UYSJQWIYHFHPGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150198
c12C(=O)N(CCCn1nc(C(=O)NCCc1c[nH]c3ccc(OC)cc13)c2)Cc1ccc(cc1)Cl	MCULE-6159590407,PC-id_53012865,EMOLS-id_32632880	491.969	SNTNDBMFDLCXBE-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-150199
c1(C(C)NC(=O)c2ccco2)nnc2CCN(Cc3cccc(c3)Oc3ccc(cc3)Cl)CCn12	EMOLS-id_20592423,PC-id_45214769,ChEMBL-DNDi_CHEMBL48665245,MCULE-3467792959	491.969	RETPKTUMUYWYRW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150200
C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2	CoCoCo_1406936,CoCoCo_1406937,ZINC22_15000873,PC-id_26356675	491.969	RETPKTUMUYWYRW-GOSISDBHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150201
C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2	ZINC22_15000877,CoCoCo_1406938,CoCoCo_1406939,PC-id_26356681	491.969	RETPKTUMUYWYRW-SFHVURJKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150202
Clc1ccc(Oc2cccc(CN3CCc4nnc(CCNC(=O)c5ccoc5)n4CC3)c2)cc1	CoCoCo_1594941,ZINC22_14994161,CoCoCo_1594942,MCULE-7751296875,PC-id_26349519,EMOLS-id_20715971	491.969	KIUDFKBRIPZLAM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150203
O=Cc1ccccc1C(C(c1c[nH]c2c1C=CCC=C2)N(C)C)C(=O)NCc1ccc(cc1Cl)F	PC-id_143579100	491.984	RSCGJFJTZHDZEW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-150204
Clc1c(CNC(=O)N2C(CC(OC)C2)C(=O)O)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_72656855	491.988	HOJKUYFJOLZPBM-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-150205
Clc1c(CNC(=O)N2[C@@H](C[C@@H](OC)C2)C(=O)O)ccc(C(=O)N2CCCCc3sccc23)c1	SCHEMBL6202640,PC-id_60126620	491.988	HOJKUYFJOLZPBM-APWZRJJASA-N	00000010100000110100000000000010000000000000000000000000	31-01-150206
Clc1c(CNC(=O)N2[C@@H](CC(OC)C2)C(=O)O)ccc(C(=O)N2CCCCc3sccc23)c1	SCHEMBL6203139,PC-id_69702278	491.988	HOJKUYFJOLZPBM-CVMIBEPCSA-N	00000010100000110100000000000010000000000000000000000000	31-01-150207
COC1(CCCN1)C(=O)OC(=O)N(Cc1ccc(cc1)C(=O)N1CCCCc2c1ccs2)Cl	PC-id_87956058	491.988	ATZPPMYVHDVBMM-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-150208
CO[C@]1(CCCN1)C(=O)OC(=O)N(Cc1ccc(cc1)C(=O)N1CCCCc2c1ccs2)Cl	SCHEMBL6203145	491.988	ATZPPMYVHDVBMM-HSZRJFAPSA-N	00000010100000110100000000000010000000000000000000000000	31-01-150209
COC1CC(NC1)C(=O)OC(=O)NCc1c(cc(cc1)C(=O)N1CCCCc2c1ccs2)Cl	PC-id_87956057	491.988	AVZFRUHMWQJQME-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-150210
COC1CN[C@@](C1)(C(=O)O)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2c1ccs2	PC-id_142665406	491.988	MCYHJRLCMQUBLC-IJBYHRAESA-N	00000010100000110100000000000010000000000000000000000000	31-01-150211
COC1CN[C@@H](C1)C(=O)OC(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2c1ccs2	SCHEMBL6203143	491.988	AVZFRUHMWQJQME-DAFXYXGESA-N	00000010100000110100000000000010000000000000000000000000	31-01-150212
COc1cc(Cl)c(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1OC	ZINC22_19743579,CoCoCo_1158415,MCULE-6788145349,EMOLS-id_20419683,CoCoCo_1158416,PC-id_28311894	491.991	ZILLLXVLSSTNEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150213
c1(C(C(C)C)NC(=O)C2CCOC2)nnc2CCN(Cc3cc(OC)c(cc3Cl)OC)CCn12	EMOLS-id_20392282,PC-id_45168634,MCULE-8384421812	492.011	RBRPQIBNZCDTLA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150214
Clc1c(c2oc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)cccc1	PC-id_3620298	492.011	YCOGNPLIVSCORK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150215
Clc1cc(c2oc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)ccc1	PC-id_4658794	492.011	WHOYWMFOACCRPP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150216
Clc1ccc(c2oc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)cc1	PC-id_4608411	492.011	IGOMUAPXLRGIGN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150217
COc1cc(Cl)c(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1OC	CoCoCo_1121546,ZINC22_257371873,CoCoCo_1121544	492.011	RBRPQIBNZCDTLA-KSFYIVLOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150218
COc1cc(Cl)c(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1OC	CoCoCo_1121547,PC-id_30852151,ZINC22_23128769,CoCoCo_1121545	492.011	RBRPQIBNZCDTLA-OPAMFIHVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150219
COc1cc(Cl)c(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1OC	CoCoCo_1121548,CoCoCo_1121550,ZINC22_257371872	492.011	RBRPQIBNZCDTLA-AOMKIAJQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150220
COc1cc(Cl)c(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1OC	CoCoCo_1121549,PC-id_30852150,ZINC22_23128768,CoCoCo_1121551	492.011	RBRPQIBNZCDTLA-ZHRRBRCNSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150221
c12C(=O)N(CCCn1nc(C(=O)NC1CCN(CC1)Cc1ccccc1)c2)Cc1ccc(cc1)Cl	MCULE-5261917291,EMOLS-id_16324800,CoCoCo_2544630,PC-id_20964794,CoCoCo_2544629	492.012	UIXHBFJNLZLAFJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150222
COC(=O)c1c(NC(=O)CSc2nnc(c3ccc(Cl)cc3)n2N)sc2c1CCCCC2	CoCoCo_2786930,ZINC22_3293625,EMOLS-id_43679654,MCULE-7465632177,PC-id_2409273	492.014	MJESXIFDGMYGRT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150223
Clc1c(n(nc1C)Cc1cc(sc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_19494710	492.054	KTQQXDPANSJQFT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-150224
c1(c2CCCCCCCCCCc2sc1NC(=O)COc1ccccc1Cl)C(=O)OC(C)C	EMOLS-id_4167631,PC-id_5243358,CoCoCo_5827679,TIMTEC199949,MCULE-7717712474,ZINC22_2759684,GD-id_ZINC02759684	492.07	HRBSOMHYAYMNBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150225
Clc1ccc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_20175887	492.097	TTYGDNPJMOJLBM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150226
Clc1ccc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_20175880	492.097	DUBANKHOWJAUPF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150227
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_20175550	492.097	DOZXBLKGVFZKCQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150228
Clc1ccc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_19654491	492.097	VBPZYDRKXAWOSN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-150229
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_20175543	492.097	VOXOKPXWNGVYFQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150230
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(cc1)C	PC-id_19655056	492.097	MEOFNPAYEAXJHX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-150231
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cccc1	PC-id_20175176	492.097	WDSTWIYLZSATEA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150232
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(cc1)C	PC-id_19655049	492.097	IKVXJBYWSZXHSN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-150233
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1	PC-id_19654621	492.097	YIYKUONOBADEBC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-150234
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cccc1	PC-id_20175171	492.097	VXYODMVOAIDOMC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150235
CCOC(=O)C1=CC(=C)C=C(C2=C1SC=C2COC3=CC=CC(=C3)OCC4=CC=CC(=C4)C)Cl	PC-id_163944115	492.116	RTPCPZWONZBFOF-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-150236
CN1CCC2=C(CC1)SC(=C2OCOC)C(=O)N3CCC(C3)CCCC(=O)C4=CC=C(S4)O	PC-id_163654616	492.175	IPCIUHGTVQWXLC-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-150237
CN1C=C(C=N1)/C=C/C(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_160040309	492.237	OMZFISVSVOHJPE-VOTSOKGWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150238
CCOC(=O)c1c2-c(c(c1OS(=O)(=O)C)C(=O)OCC)ccc(cc2)I	PC-id_140462385	492.282	ZNPQSDYPFWTBEJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-150239
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3CCN(CC3)C(=O)OC	PC-id_155171401	492.295	KTPLLJPMIRTBQD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150240
O=C(c1n(C)cc2c1CC[C@@H](NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1F)Br)F	SCHEMBL21337417,PC-id_139471420	492.335	XRALQFFDOUJMMX-CYBMUJFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150241
O=C(c1n(C)cc2c1CCC(NS2(=O)=O)C(O)(C)C)Nc1ccc(c(c1F)Br)F	SCHEMBL18353493	492.335	XRALQFFDOUJMMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150242
CCOC(=O)c1c2-c(c(c1N(C(=O)C)C(=O)C)C(=O)OCC)ccc(c(c2)C(C)C)Br	PC-id_102239312	492.36	HFSBGYIKWAHFIK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-150243
BrC1=NC2C(=[N+](C(=O)N(C2=O)C)C)N1CC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_74312106	492.369	SEIRLCUYCVGDEB-UHFFFAOYSA-O	00000011100011000101000000000110000000000000000000000000	31-01-150244
Clc1cc(c(NC(=O)c2sc3CCN(CCc3n2)C)c(O)c1)C(=O)Nc1ncc(Cl)cc1	PC-id_25116692	492.378	WOXYAHOYMNKVFO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-150245
Brc1cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_4124581	492.386	VHKYDUUGYLHRGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150246
Brc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_9648351	492.386	VHKYDUUGYLHRGZ-FSJBWODESA-N	00000000100000110100000000000010000000000000000000000000	31-01-150247
Clc1cc(C(=O)N2CCCCc3sccc23)ccc1CNC(=O)Nc1c(Cl)cccc1F	PC-id_10300166	492.393	QETHLYONKSAIQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150248
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCN3[C@@H](C2)CCC3)cc(c1)Cl	PC-id_140700443	492.398	MKJYXSBJGONZNR-LJQANCHMSA-N	00000010100010110101000000000110000000000000000000000000	31-01-150249
FC(F)(F)Oc1ccc(NC(=O)c2ncc(CN3CCn4c(OCC3)nc([N+](=O)[O-])c4)cc2)cc1	SCHEMBL14966248,PC-id_71570302	492.408	FEGNHVSSQMTITD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-150250
FC(F)(F)Oc1cc(NC(=O)c2ncc(CN3CCn4c(OCC3)nc([N+](=O)[O-])c4)cc2)ccc1	PC-id_71571325,SCHEMBL14965787	492.408	GRFIEQWDICOTHA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-150251
Brc1oc(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc1	PC-id_19724575	492.413	PSKPVYOUNGKFJR-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-150252
O=C(N1CCCn2c(C1)cc(n2)CNC1COC1)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700527	492.415	HXKGVHYNTSTFLG-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-150253
Brc1ccc(C(=O)c2c3N(C(=C(SC(c3oc2C(=O)OCC)(C)C)C)C)CC)cc1	PC-id_24774237	492.426	ZUZZXVRXVSKZEQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-150254
Brc1ccc(NC(=O)c2c(NC(=O)CN3CCOCC3)sc3CCCCCc23)cc1	EMOLS-id_2221008,SPECS-id_AE-848/42024450,CoCoCo_948955,MCULE-6472783276,PC-id_1050776,ZINC22_19901215,TIMTEC294381	492.429	LSASFPWOFSDOFC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150255
Clc1c(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)ccc(Cl)c1	PC-id_19728831	492.444	UHFUEWKVLSLPHA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150256
Clc1cc(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)ccc1Cl	PC-id_19729100	492.444	UNCNJUDNSMVUNJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150257
c1(NC(=O)c2cccc(Br)c2)sc2c(CCCCCCCCCC2)c1C(=O)OCC	ZINC22_2766333,MCULE-6557903703,CoCoCo_5812953,PC-id_4670745,EMOLS-id_5122441,TIMTEC313920,SPECS-id_AK-968/36929139	492.469	MNUWACXASZLPLJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150258
CCOC(=O)Oc1c(N)c(c2-c1ccc(cc2)CC(=O)N(C(=O)OCC)COC)OC(=O)OCC	PC-id_70052378,SCHEMBL7312080	492.476	VUTOULKAEFRICI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-150259
Brc1sc(S(=O)(=O)N2CCN(CC2)Cn2nc3n(CCCCC3)c2=S)cc1	PC-id_34872419	492.477	UJCZFBSQSRVMAZ-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-150260
Nc1nc2c(s1)CCN(CC2)C(=O)C(c1cc(ccc1F)C(=O)Nc1ccc(c(c1)C)F)(F)F	PC-id_139302352,SCHEMBL21146211	492.489	STAHBZKVEOREPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150261
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1c(cc(cc1)F)F)Cc1ccccc1F	PC-id_134805221	492.492	PBGGLXNLDNYAOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150262
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1cc(cc(c1)F)F)Cc1ccccc1F	PC-id_134806609	492.492	UARJEHIYCIWGRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150263
CCC(=Nc1cc(ccc1C)NC(=O)Nc1ccccc1C(F)(F)F)c1c(=O)[nH]c2-c1ccccc2	PC-id_144080544	492.492	TWPHTASXPHPVGK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150264
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(n(nc1)CC)C(=O)Nc1c(n(nc1)C)C	PC-id_19523853	492.497	RZCBTLSQIYXPDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-150265
o1c2-c(c(C(=c3ccc(=C(C#N)C#N)cc3)C(=C(C#N)C#N)c3ccccc3)c1=O)cc(C(C)C)ccc2	PC-id_57338923	492.527	WXKGGPSDIJQTGL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150266
CC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)[O-])C	GD-id_ZINC13826318	492.531	UCUWONPFZNDIGY-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-150267
O=C(N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F)OC(C)(C)C	PC-id_118872353,SCHEMBL17505301	492.534	CTQJWWICOBFSHM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-150268
Cc1ccc(c(c1)F)Nc1cc(=O)n(nc1C(=O)N(CC(c1nc2c(n1C)CCC=CC=C2)O)C)C	PC-id_143442423	492.545	OFCJEZWSUHGBHG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-150269
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)NCc2cccnc2)CC)cc1	PC-id_46159887	492.545	HODGFXBHPXAIHK-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-150270
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)NCc2ccncc2)CC)cc1	PC-id_46049824	492.545	MOVPDKNXMGNEGD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-150271
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)NCc2ncccc2)CC)cc1	PC-id_42854947	492.545	MGXAEVJETKXOIX-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-150272
N#Cc1c(NC(=O)COC(=O)CN2C(=O)NC3(C2=O)CCc2c3cccc2)sc2c1CCCCC2	EMOLS-id_3410726,MCULE-5936956939,PC-id_4845398	492.547	ACYGHNNXSSYSJV-UHFFFAOYSA-N	00000010100000100101000000000010000000000000000000000000	31-01-150273
N#Cc1c(NC(=O)COC(=O)CN2C(=O)N[C@@]3(CCc4ccccc34)C2=O)sc2c1CCCCC2	ZINC22_13131236,CoCoCo_2904780,PC-id_25721468	492.547	ACYGHNNXSSYSJV-RUZDIDTESA-N	00000010100000100101000000000010000000000000000000000000	31-01-150274
N#Cc1c(NC(=O)COC(=O)CN2C(=O)N[C@]3(CCc4ccccc34)C2=O)sc2c1CCCCC2	ZINC22_13131239,CoCoCo_2904779,PC-id_25721469	492.547	ACYGHNNXSSYSJV-VWLOTQADSA-N	00000010100000100101000000000010000000000000000000000000	31-01-150275
s1c2CCCCCc2c(c1NC(=O)CCN(CC)CC(=O)Nc1c(cccc1)C(F)(F)F)C#N	PC-id_24428127	492.557	NSJSSOQQYXDRNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150276
FC(Oc1ccc(cc1)C=C1SC(=O)N(C1=O)CCNC(=O)c1cc2c(s1)CCCCC2)F	PC-id_2469291,EMOLS-id_43837548,MCULE-4690434561	492.559	OQIGKRYZIKJDKY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150277
FC(Oc1ccc(cc1)/C=C/1SC(=O)N(C1=O)CCNC(=O)c1cc2c(s1)CCCCC2)F	PC-id_2469293,CoCoCo_3306422	492.559	OQIGKRYZIKJDKY-UNOMPAQXSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150278
O=C(NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)/C1=O)c1cc2c(s1)CCCCC2	ZINC22_3352200,CoCoCo_3306423	492.559	OQIGKRYZIKJDKY-XDHOZWIPSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150279
Cc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NC(Cc1c[nH]c2c1ccc(=O)cc2)C(=O)O	PC-id_91190719	492.567	XTADICZTXUVZQQ-UHFFFAOYSA-N	00000000100100110110000000000010000000000000000000000000	31-01-150280
c1(C(CC(C)C)NC(=O)c2cccnc2)nnc2CCN(Cc3cc(OC)c4c(OCO4)c3)CCn12	PC-id_45249376,MCULE-3331512068,EMOLS-id_20735855	492.57	VIDSSMBRSCJEFD-UHFFFAOYSA-N	00000010100000101101000000001010000000000000000000000000	31-01-150281
COc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)cc2c1OCO2	CoCoCo_1625567,CoCoCo_1625568,PC-id_26362142,ZINC22_15007024	492.57	VIDSSMBRSCJEFD-HXUWFJFHSA-N	00000010100000101101000000001010000000000000000000000000	31-01-150282
COc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)cc2c1OCO2	PC-id_26362145,CoCoCo_1625569,ZINC22_15007026,CoCoCo_1625570	492.57	VIDSSMBRSCJEFD-FQEVSTJZSA-N	00000010100000101101000000001010000000000000000000000000	31-01-150283
COCCOCCc1nn2c(c1)N(C)C(=O)[C@H](CC2)C(=C)CC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL19659487	492.57	HOYWWZHMNFVGKM-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150284
CC(=N)c1c(cc(cc1)C(=O)N1CCN(CC1)c1ccncc1)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136492082	492.572	RVTLPWUGCAYORS-UHFFFAOYSA-N	00000010100010111111100000000010000000000000000000000000	31-01-150285
O=C1C(CCn2c(N1C)cc(n2)CCCN1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1	PC-id_140764886	492.573	VMOJFSYXSLXTAN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150286
O=C1[C@@H](CCn2c(N1C)cc(n2)CCCN1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367267	492.573	VMOJFSYXSLXTAN-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150287
O=C1[C@H](CCn2c(N1C)cc(n2)CCCN1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367271	492.573	VMOJFSYXSLXTAN-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150288
O=C(C1N=CN(N1)Cc1ccccc1)NC1CCn2c(N(C1=O)C)cc(n2)/C=C/CN1CCOCC1	PC-id_145225073	492.573	GQZUYXRQARTXAC-VMPITWQZSA-N	00000011100010110101000000000010000000000000000000000000	31-01-150289
N#Cc1c(NC(=O)[C@H]([N@H+]2CCCN(CC2)c2ccc(cn2)C(F)(F)F)C)sc2c1CCCCC2	GD-id_ZINC15030668,PC-id_26375882	492.58	NZJFOPIJJJXISO-MRXNPFEDSA-O	00000000100000101101100000000010000000000000000000000000	31-01-150290
N#Cc1c(NC(=O)[C@@H]([N@@H+]2CCCN(CC2)c2ccc(cn2)C(F)(F)F)C)sc2c1CCCCC2	GD-id_ZINC15030670,PC-id_26375885	492.58	NZJFOPIJJJXISO-INIZCTEOSA-O	00000000100000101101100000000010000000000000000000000000	31-01-150291
s1c2c(CCCCC2)c(c1NC(=O)C([NH+]1CCCN(CC1)c1ncc(cc1)C(F)(F)F)C)C#N	PC-id_74499387	492.58	NZJFOPIJJJXISO-UHFFFAOYSA-O	00000000100000101101100000000010000000000000000000000000	31-01-150292
CCN(CCC1CCc2c(C(=O)C1=C)c(c([nH]2)/C=C/1C(=O)Nc2c1cc(F)cc2NC(=O)C)C)CC	PC-id_143515095	492.585	HIVISOLCAIGUOZ-STZFKDTASA-N	00000010100000100100000000001010000000000000000000000000	31-01-150293
CCC(C(=O)O)Oc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCCc2c1ccs2	PC-id_139750474	492.587	BATPBLNIXFVLIG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150294
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCC(=O)O	ZINC22_408974463	492.587	ZKYPFYUUIZNARR-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-150295
OC(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCCc2c1ccs2	PC-id_139750504	492.587	SCHMXQYOAUCXMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150296
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(OCC)cc1	PC-id_16509391	492.587	ZPBQHWAHLUPLGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150297
s1c2c(N(C(=O)[C@@H](N(C2=O)C(=O)OC(C)(C)C)Cc2ccccc2)Cc2ccc(OC)cc2)cc1	PC-id_44204274	492.587	XIYBZXUDDYOGLP-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150298
s1c2c(N(C(=O)C(N(C2=O)C(=O)OC(C)(C)C)Cc2ccccc2)Cc2ccc(OC)cc2)cc1	PC-id_74950728	492.587	XIYBZXUDDYOGLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150299
CCn1c2c(CCCOCCCNC2=O)c(n1)CCCOC(=O)c1ccc(cc1)S(=O)(=O)NC	SCHEMBL20279976,PC-id_135133774	492.588	BDCQNMUZIHXUBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150300
s1c2CCCCCc2cc1C(=O)OCC(=O)N(c1c(n(CCCC)c(=O)[nH]c1=O)N)CCOC	PC-id_27938734	492.588	GFVLVGQTHOXDHW-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-150301
O1c2cc(CC(C[NH+]3CCn4c(nnc4CCNC(=O)c4ccc(OC)cc4)CC3)C)ccc2OC1	PC-id_74844558	492.59	IWIHZSGUEBWSHC-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-150302
O1c2cc(CC(C[NH+]3CCn4c(nnc4CCNC(=O)COc4ccccc4)CC3)C)ccc2OC1	PC-id_74500833	492.59	OGYWWMUTZWQDIC-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-150303
O1c2cc(C[C@@H](C[NH+]3CCn4c(nnc4CCNC(=O)c4ccc(OC)cc4)CC3)C)ccc2OC1	PC-id_42343141	492.59	IWIHZSGUEBWSHC-IBGZPJMESA-O	00000010100000110101000000001010000000000000000000000000	31-01-150304
O1c2cc(C[C@H](C[NH+]3CCn4c(nnc4CCNC(=O)c4ccc(OC)cc4)CC3)C)ccc2OC1	PC-id_42343147	492.59	IWIHZSGUEBWSHC-LJQANCHMSA-O	00000010100000110101000000001010000000000000000000000000	31-01-150305
O1c2cc(C[C@H](C[NH+]3CCn4c(nnc4CCNC(=O)COc4ccccc4)CC3)C)ccc2OC1	PC-id_26350221	492.59	OGYWWMUTZWQDIC-HXUWFJFHSA-O	00000010100000110101000000001010000000000000000000000000	31-01-150306
O1c2cc(C[C@@H](C[NH+]3CCn4c(nnc4CCNC(=O)COc4ccccc4)CC3)C)ccc2OC1	PC-id_26350225	492.59	OGYWWMUTZWQDIC-FQEVSTJZSA-O	00000010100000110101000000001010000000000000000000000000	31-01-150307
O1CC(CC1)C(=O)NCc1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(OCc2ccccc2)cc1	PC-id_74777344	492.59	HPXPXYJIVCNZQT-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-150308
O1C[C@@H](CC1)C(=O)NCc1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(OCc2ccccc2)cc1	PC-id_42188927	492.59	HPXPXYJIVCNZQT-JOCHJYFZSA-O	00000010100000110101000000000010000000000000000000000000	31-01-150309
O1C[C@H](CC1)C(=O)NCc1n2CC[NH+](CCc2nn1)Cc1cc(OC)c(OCc2ccccc2)cc1	PC-id_42188930	492.59	HPXPXYJIVCNZQT-QFIPXVFZSA-O	00000010100000110101000000000010000000000000000000000000	31-01-150310
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(C(=O)CCc3sc4c(cccc4)n3)CCn12	PC-id_45227608,MCULE-3504528590,EMOLS-id_20646313	492.593	VMENOPVOBWULQG-UHFFFAOYSA-N	00000000101000100101000001000010000000000000000000000000	31-01-150311
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2	CoCoCo_1488199,ZINC22_12217644	492.593	VMENOPVOBWULQG-HSZRJFAPSA-N	00000000101000100101000001000010000000000000000000000000	31-01-150312
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2	CoCoCo_1488200,ZINC22_12217645	492.593	VMENOPVOBWULQG-QHCPKHFHSA-N	00000000101000100101000001000010000000000000000000000000	31-01-150313
CCOC(=O)c1c(CC(c2cccc(c2O)C(C)(C)C)(C)C)c(c2-c1ccc(cc2)O)C(=O)OCC	PC-id_139647531	492.603	KOWCMAAAJJAPNP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150314
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_5015587,EMOLS-id_5471796,ZINC22_11852857,MCULE-6439683797,PC-id_3352004	492.608	WWMQEDNFUIRRIB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150315
c1(NC(=S)Nc2cc(OC)c(cc2C(=O)OC)OC)sc2c(CCCCCC2)c1C(=O)OC	ChEMBL-DNDi_CHEMBL7840350,EMOLS-id_2004205,ZINC22_2858767,TIMTEC274722,MCULE-2911189855,CoCoCo_1003102,PC-id_2212111	492.608	KVYYEQWIYXHMSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150316
c1(NC(=S)NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4753024525,EMOLS-id_4517562,STOCK3S-60286,PC-id_1850895,ZINC22_2218267	492.608	HIQLNTZRVRGHEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150317
c1(NC(=S)NC(=O)c2cc(OC)c(c(OC)c2)OC)sc2c(CCCCCC2)c1C(=O)OC	MCULE-6651517737,PC-id_1843286,EMOLS-id_4513208,STOCK3S-53560,ZINC22_2210044	492.608	RRGCFWAKKAAANA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150318
CCOC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)sc(C(=O)N(C)C)c1C	ZINC22_10021158,MCULE-9397172656,CoCoCo_2861319,EMOLS-id_11692319,PC-id_16282465	492.608	OPMAKIDZJRHHBK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-150319
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C(=O)NC(=O)OCC	PC-id_41149074	492.608	HTVKCQYIUFTVHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150320
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)C(C)C)ccc1)C(=O)NC(=O)OCC	PC-id_41148268	492.608	OJUVJPCCHGNACV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150321
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)CC)cc1)C(=O)NC(=O)OCC	PC-id_41146404	492.608	HVMFFQRNFCSDGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150322
s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)NC(=O)OC	PC-id_16838073	492.608	ZBINWXIPJFXBSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150323
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(cc1)C)C(=O)NC(=O)OC	PC-id_41273623	492.608	MWHGJAZCKWCICV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150324
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccccc1)C(=O)NC(=O)OCC	PC-id_41273259	492.608	IHJNHBDWOSSQOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150325
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)Cc1ccccc1)C(=O)NC(=O)OC	PC-id_41612482	492.608	ULWFWNAFCHOVIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150326
s1c2c(CCCCC2)c(c1NC(=O)CCS(=O)(=O)Cc1ccccc1)C(=O)NC(=O)OCC	PC-id_41583274	492.608	PZPQNTRXWDSWNK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150327
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(cc(OC)c(OC)c1)C(=O)OC)C(=O)OCC	PC-id_20412694	492.608	JRMVQCYCGZIHEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150328
s1c2CCCCCCc2cc1C(=O)OCC(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)NC	PC-id_45655413	492.608	YLSOMWPBQHMKLF-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-150329
S(=O)(=O)(N1CCCC1)c1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1OC	PC-id_55377245	492.608	WGYZEXHURFLKQK-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-150330
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccc(OC)cc1	PC-id_16827657	492.608	NADGXMPAWJEIPC-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-150331
S(=O)(=O)(N1CCOCC1)c1c(ccc(c1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_55377460	492.608	XZJKDBZACOMIIS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150332
S(=O)(=O)(N1CCOCC1)c1c(ccc(NC(=O)COC(=O)c2sc3CCCCCc3c2)c1)C	PC-id_16509473	492.608	YQRJKADWPJUVMO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150333
S(=O)(=O)(N1CCOCC1)c1ccc(NC(=O)COC(=O)c2sc3CCCCCCc3c2)cc1	PC-id_24341569	492.608	YPYXIRXWYAZQTN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150334
S(=O)(=O)(N1CCOCC1)c1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(cc1)C	PC-id_55488683	492.608	NHVZPBAHUUBCGO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150335
S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)COC(=O)c2sc3CCCCCc3c2)c(cc1)C	PC-id_16509469	492.608	NORNUIKYYBFSSF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150336
S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)COC(=O)c2sc3CCCCCCc3c2)ccc1	PC-id_16512678	492.608	KIWHFTZBPKCBPK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150337
C=C/C=C/1C(=C/C)Nc2c(CN1C(=O)c1ccc(c(c1)C)OCCCC(=O)OC(C)(C)C)cnn2C	PC-id_143189003	492.61	VTAUMLJSDZGPOK-PWHNHFILSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150338
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(Nc2c(F)cccc2)nn1)C(=O)OC	PC-id_4210669	492.61	MINOCBHYTGCQIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150339
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)OC	PC-id_24073070	492.61	JUSGQGLDHAVKIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150340
COC1=CCC=C(CCC1OCc1ccccn1)/C=C/c1n[nH]c(c1)/C=C/c1c[nH]c2c1C=CCC=C2	SCHEMBL20172662,PC-id_137286531	492.611	FINAKKCICMZVMI-XNIZLKOWSA-N	00000000100000101111000000000010000000000000000000000000	31-01-150341
O=C(c1ccc2-c1ccccc2)NCc1ccc(cc1)Oc1ccc(cc1)NC1(CCNCC1)C(=C)N	PC-id_144554672	492.611	YXEYUJIQWOJZNU-UHFFFAOYSA-N	00000010100010110110000000000010000000000000000000000000	31-01-150342
O=C(c1ccccc1c1ccc(cc1)N(C)C)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccn2C	PC-id_139709990	492.611	ISVLGOIXEWZVQG-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-150343
CC(CC(C(=O)NC1Cc2cnc(s2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730432,SCHEMBL21109587	492.612	PXWUQEFGADUWPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150344
CC(CC(C(=O)NC1Cc2ncsc2CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110750,PC-id_138731544	492.612	HFJLAPIDWHSDTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150345
CC(CC(C(=O)NC1Cc2nsc(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110236,PC-id_138731078	492.612	HZNWXOLMQDMMGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150346
CC(CC(C(=O)NC1Cc2sncc2CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110255,PC-id_138731096	492.612	DVTACAOSYZYEPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150347
CC(CC(C(=O)NC1CCc2csc(n2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730201,SCHEMBL21109352	492.612	PIVGQTRDBDTSGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150348
CC(CC(C(=O)NC1CCc2snc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109627,PC-id_138730472	492.612	CSGHTQZQKYWPLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150349
CC(C(C(=O)NC1Cc2nsc(c2)CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110091,PC-id_138730933	492.612	LAGKEXYBYRAOKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150350
CC(C(C(=O)NC1Cc2scc(n2)CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731831,SCHEMBL21111060	492.612	WNJQBIXQGVTLJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150351
CC(C(C(=O)NC1CCc2ncc(s2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109856,PC-id_138730699	492.612	NOCLBRKOMHYEHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150352
CC(C(C(=O)NC1CCc2ncsc2CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731108,SCHEMBL21110268	492.612	WBPCHLUYMZGPAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150353
CC(C(C(=O)NC1CCc2nsc(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731249,SCHEMBL21110409	492.612	GLXUIOMARLNMBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150354
CC(C(C(=O)NC1CCc2scc(n2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730803,SCHEMBL21109961	492.612	MZFCIZPKTOBMKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150355
CC(C(C(=O)NC1CCCc2ncsc2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731258,SCHEMBL21110418	492.612	DINFCIXUQIDGAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150356
CC(C(C(=O)NC1CCCc2nsc(c2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138730839,SCHEMBL21109997	492.612	KZCCXYYYUBYFMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150357
CC(C(C(=O)NC1CCCc2scc(n2)CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21111273,PC-id_138731994	492.612	LEUYEUKLQOFUEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150358
s1c2CCCCCCc2cc1C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(NC(=O)C)cc1)C	PC-id_24553546	492.612	POSIBLWYBICWRE-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150359
s1c2CCCCCCc2cc1C(=O)NNC(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1	PC-id_24553564	492.612	DXTAEKDOLYZJIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150360
s1c2CCCCCCc2cc1C(=O)NNC(=O)C(NS(=O)(=O)c1ccc(NC(=O)C)cc1)C	PC-id_74295108	492.612	POSIBLWYBICWRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150361
C1CN(CCN1CC)C(=O)C1CCN(CC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	MCULE-6388018734,PC-id_46049500,EMOLS-id_25387064	492.613	HIARSZJAZRMHHN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150362
n12CCN(CCc1nnc2CCNC(=O)C1CCCCC1)C(=O)CN1CC(CC1=O)c1ccccc1	PC-id_45218765,EMOLS-id_20609197,MCULE-4190072776	492.613	FGELKIRVCOMYSW-UHFFFAOYSA-N	00000010100010110101100000000010000000000000000000000000	31-01-150363
O=C(N1CCN(CC1)CC)C1N(CCCC1)C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_42854938	492.613	CLFRWXGWHJNNSL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150364
O=C(N(C1CC1)CCC(=O)N1CCN(CC1)CC)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1	PC-id_46159907	492.613	FLAFIVGSDHUFPI-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-150365
O=C(NCCc1nnc2n1CCN(C(=O)CN1C[C@H](c3ccccc3)CC1=O)CC2)C1CCCCC1	ZINC22_14954068	492.613	FGELKIRVCOMYSW-JOCHJYFZSA-N	00000010100010110101100000000010000000000000000000000000	31-01-150366
O=C(NCCc1nnc2n1CCN(C(=O)CN1C[C@@H](c3ccccc3)CC1=O)CC2)C1CCCCC1	ZINC22_14954072	492.613	FGELKIRVCOMYSW-QFIPXVFZSA-N	00000010100010110101100000000010000000000000000000000000	31-01-150367
s1c2CCCCCc2cc1C(=O)NNC(=O)c1sc2nc([nH]c(=O)c2c1C)Cc1ccccc1	PC-id_24554125	492.613	BCVSVRRFHDITPG-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-150368
s1c2CCCN(CCN3CCC(=C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C(=O)c2cc1C	PC-id_19881140	492.623	XKQPXIIIHGTAEQ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-150369
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1ccnc(c1)C)F	PC-id_138671964	492.625	SKSNWGDPUJGSDV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-150370
FC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1ccnc(c1)C)F	SCHEMBL21042391	492.625	SKSNWGDPUJGSDV-KESTWPANSA-N	00000000100010101101000000000010000000000000000000000000	31-01-150371
CC/C=C(/c1ccc(cc1)F)C=C(c1ccc(cc1)F)/NCC(=C)N1CCc2c(CC1)nc(s2)N	PC-id_122605727,SCHEMBL18133055	492.626	ZFAKYGZXJJUTLA-CSTFRRCMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150372
s1c2c(c(C(=O)N3CC[NH+](CC3)Cc3ccccc3)c1NC(=O)c1c(F)cccc1)CCCCC2	PC-id_6982422	492.628	CDDIMHFKWZCJOF-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-150373
s1c2CCCCCCc2cc1C(=O)OCC(=O)N(C1C(N(CCC)C(=O)NC1=O)N)CCCC	PC-id_73266978	492.631	ZIPAOEMAYWRZAX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150374
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccccc1	PC-id_2685650	492.631	XVDAKZWYBGSQDN-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-150375
O(c1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COC)CC(C)C)CC2)cc1)Cc1ccccc1	PC-id_42274141	492.633	UDDBUPJPIMJNPE-VWLOTQADSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150376
O(c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COC)CC(C)C)CC2)cc1)Cc1ccccc1	PC-id_42274143	492.633	UDDBUPJPIMJNPE-RUZDIDTESA-O	00000000100000110101000000000010000000000000000000000000	31-01-150377
O(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)COC)CC(C)C)CC2)cc1)Cc1ccccc1	PC-id_74786922	492.633	UDDBUPJPIMJNPE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150378
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)C)CC(C)C)CC2)ccc1OCc1ccccc1)C	PC-id_42162460	492.633	GCXVDLZKQOWYIE-XMMPIXPASA-O	00000000100000110101000000000010000000000000000000000000	31-01-150379
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)C)CC(C)C)CC2)ccc1OCc1ccccc1)C	PC-id_42162462	492.633	GCXVDLZKQOWYIE-DEOSSOPVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150380
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)C)CC(C)C)CC2)ccc1OCc1ccccc1)C	PC-id_74779813	492.633	GCXVDLZKQOWYIE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150381
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cccc1OC	PC-id_42245996	492.633	XEUPSPLTCCVSOP-HSZRJFAPSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150382
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cccc1OC	PC-id_42245998	492.633	XEUPSPLTCCVSOP-QHCPKHFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150383
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc(OC)c1	PC-id_26358572	492.633	JKEGUARSIZKIEL-XMMPIXPASA-O	00000000100000110101000000000010000000000000000000000000	31-01-150384
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc(OC)c1	PC-id_26358576	492.633	JKEGUARSIZKIEL-DEOSSOPVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150385
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cc(OC)cc1	PC-id_26282359	492.633	PPKULHRNQJSJSE-XMMPIXPASA-O	00000000100000110101000000000010000000000000000000000000	31-01-150386
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cc(OC)cc1	PC-id_26282362	492.633	PPKULHRNQJSJSE-DEOSSOPVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150387
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cccc1OC	PC-id_74785732	492.633	XEUPSPLTCCVSOP-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150388
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)ccc(OC)c1	PC-id_74501621	492.633	JKEGUARSIZKIEL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150389
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cc(OC)cc1	PC-id_74494504	492.633	PPKULHRNQJSJSE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150390
S(=O)(=O)(N1CC[NH+](CC1)CCC(=O)Nc1sc2c(CCCCC2)c1C#N)c1c(onc1C)C	PC-id_41210661	492.635	SPNBZLJPRPAQSA-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-150391
S(=O)(=O)(N1CC[NH+](CC1)C(C)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1c(onc1C)C	PC-id_74748488	492.635	GWLXOVKWJIAADH-UHFFFAOYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-150392
S(=O)(=O)(N1CC[NH+](CC1)[C@@H](C)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1c(onc1C)C	PC-id_41132072	492.635	GWLXOVKWJIAADH-HNNXBMFYSA-O	00000000100010000101000000000010000000000000000000000000	31-01-150393
S(=O)(=O)(N1CC[NH+](CC1)[C@H](C)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1c(onc1C)C	PC-id_41132074	492.635	GWLXOVKWJIAADH-OAHLLOKOSA-O	00000000100010000101000000000010000000000000000000000000	31-01-150394
S(=O)(=O)(N(CC)CC)c1cc(NC(=O)Cn2nc3n(CCCCC3)c2=O)c(N(CC)CC)cc1	PC-id_55561693	492.635	GOMXWXZLUHKKAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150395
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)C)cc1)C(=O)OCC	PC-id_23932748	492.651	YVHQJXAZZNKNCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150396
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)CC)cc1)C(=O)OC	PC-id_23931406	492.651	UDQYJTWUOINMHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150397
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCC)CCC)cc1)C(=O)OC	PC-id_24159593	492.651	SVZGBIZQUSVURI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150398
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cccc1)C(=O)c1ccccc1)C(=O)OCC	PC-id_19648858	492.653	IRWHGASEHYILDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150399
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)C(C)C)C(=O)OC	PC-id_17264634	492.655	ZLSFIAZWIUZYGZ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-150400
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)CC)C(=O)OCC	PC-id_19716296	492.655	NDROGNUIBYEAFQ-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-150401
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)CC)C(=O)OC	PC-id_19716195	492.655	RMLGOGKUQKWUFU-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-150402
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)OCC	PC-id_20414329	492.656	HXTUEXFXYKOENG-QVIHXGFCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150403
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)CC=C)C#N	PC-id_20127916	492.659	KEDXSRTUGAIQCQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150404
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)CC=C)C#N	PC-id_20128246	492.659	BEKOTRNXQSLAEG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150405
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)CN1CCCC1)c1ccccc1)C#N	PC-id_45661371	492.659	SMVWUZQSCZELNI-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-150406
s1c2c(CCCCC2)c(c1NC(=O)CCN(C1CCN(CC1)C(=O)c1ccccc1)CCC)C#N	PC-id_56381618	492.676	CWYQDBYMZFUFCP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-150407
CC1(COC(OC1)(C)Cc1c2CC(C(=O)C=C[C@@H](c2co1)O[Si](C)(C)C(C)(C)C)C(=O)OC)C	PC-id_134918603	492.677	YLMRMRKOAFBSFX-ZYZRXSCRSA-N	00000000100010000111000000000010000000000000000000000000	31-01-150408
[Si](OC1c2c(c(oc2)CC2(OCC(CO2)(C)C)C)CC(=C(O)C=C1)C(=O)OC)(C(C)(C)C)(C)C	PC-id_76178614	492.677	VZURHSJPGBPRDD-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-150409
[Si](O[C@@H]1c2c(c(oc2)CC2(OCC(CO2)(C)C)C)CC(=C(O)C=C1)C(=O)OC)(C(C)(C)C)(C)C	PC-id_54703921	492.677	VZURHSJPGBPRDD-NRFANRHFSA-N	00000000100010000111000000000010000000000000000000000000	31-01-150410
s1c2CCCCCc2c(c1NC(=O)C(Sc1ncc(S(=O)(=O)N(CC)CC)cc1)C)C#N	PC-id_24499170	492.678	ANVYEVKXYXZXTN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-150411
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(CN4CCCCC4)s3)CCn12	EMOLS-id_232714105,CoCoCo_1199350,CoCoCo_1199349,PC-id_26276959,ZINC22_14881392,MCULE-7161372054	492.679	MNLRHTDREBHPDP-UHFFFAOYSA-N	00000000100110110101000000000010000000000000000000000000	31-01-150412
CC(c1nnc2n1CCN(CC2)Cc1ccc(s1)CN1CCCCC1)NC(=O)c1ccccc1C	ChEMBL-DNDi_CHEMBL19263411	492.679	HSCRFNXVADVLPF-UHFFFAOYSA-N	00000000100110110101000000000010000000000000000000000000	31-01-150413
O=C(c1c2-c(c(c1)C)cc(C(C)C)ccc2C)CCCC(=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_72712547	492.691	WSVWCIJNICWSJA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-150414
CN(CCCn1c(C)c(c2=CCCCC=c12)CC=CON1CCN(CC1)CCc1cccc(c1)O)C	PC-id_144846937	492.696	YILCQKRERMGEGM-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-150415
s1c2c(CCCCC2)c(c1NC(=S)NCCC(c1ccccc1)c1ccccc1)C(=O)OCC	PC-id_19650249	492.696	WBDHEMZTULUFGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150416
s1c2c(CCCCCC2)c(c1NC(=S)N(Cc1ccccc1)Cc1ccccc1)C(=O)OCC	PC-id_19653561	492.696	GLWCBXDMNKJPRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150417
s1c2c(CCCCCC2)c(c1NC(=S)NCCC(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_19650242	492.696	YUVVQSRWRMGBSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150418
COCCOc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1cnc(s1)C	PC-id_138670715	492.698	JRNJJINBWHSSIG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150419
COCCOc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1cnc(s1)C	SCHEMBL21041059	492.698	JRNJJINBWHSSIG-WGSAOQKQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150420
N(c1ccc(C(c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)c2ccc(N(C)C)cc2)cc1)(C)C	PC-id_15778699	492.737	DYIYIOWKKJAIDJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150421
s1cc2OCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)COc2c1	PC-id_86035463	492.84	GTHSQIAHUDFASD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-150422
Clc1cc(ccc1NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CCCC(=O)c2c1ccs2	PC-id_69956088,SCHEMBL6996850	492.898	ZJSZRDFGJZHYGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150423
CCCCCCC1(CCCCCC)COc2c(OC1C#C)c(sc2[Si](C)(C)C)[Si](C)(C)C	SCHEMBL2211712,PC-id_86657015	492.905	CGXUBZSYODWNJB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-150424
Clc1ccc(cn1)CC1(C)C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18352879	492.926	PXDVHVGIQCXCGR-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-150425
Clc1nccc(c1)CC1(C)C=Cc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353494	492.926	PDHAZZYRLMQMHF-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-150426
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C(F)(F)F	PC-id_142627646	492.941	XYZMDUMPNSWQFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150427
Clc1ccc(Oc2cc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)c4occc4)C)CC3)ccc2)cc1	PC-id_26356674	492.977	RETPKTUMUYWYRW-GOSISDBHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-150428
Clc1ccc(Oc2cc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)c4occc4)C)CC3)ccc2)cc1	PC-id_26356680	492.977	RETPKTUMUYWYRW-SFHVURJKSA-O	00000000101000110101000000000010000000000000000000000000	31-01-150429
Clc1ccc(Oc2cc(C[NH+]3CCn4c(nnc4C(NC(=O)c4occc4)C)CC3)ccc2)cc1	PC-id_74501469	492.977	RETPKTUMUYWYRW-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-150430
CNS(=O)(=O)c1ccc(cc1)CNC(=O)OCCCCn1cnc2c1C(=C)C=C(N=C2N)Cl	SCHEMBL19575000	492.979	XICMBYZRUMDPMO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-150431
Clc1c(C[NH+]2CCn3c(nnc3CNS(=O)(=O)c3ccccc3)CC2)cc(OC)c(OC)c1	PC-id_42439307,GD-id_ZINC12164111	492.999	ZILLLXVLSSTNEE-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150432
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2)ccc(F)c1	PC-id_20174031	493.017	SRGFJZIQWRXGSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150433
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2)c(F)ccc1	PC-id_20173262	493.017	ROSJMHSDFSHLOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150434
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cc2)c(F)ccc1	PC-id_20167704	493.017	UCGFQHUWIWAHQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150435
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)CC2)cc(OC)c(OC)c1	PC-id_42214101	493.019	RBRPQIBNZCDTLA-ZHRRBRCNSA-O	00000010100000110101000000000010000000000000000000000000	31-01-150436
Clc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)[C@@H]3CCOC3)C(C)C)CC2)cc(OC)c(OC)c1	PC-id_42214104	493.019	RBRPQIBNZCDTLA-OPAMFIHVSA-O	00000010100000110101000000000010000000000000000000000000	31-01-150437
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)C3CCOC3)C(C)C)CC2)cc(OC)c(OC)c1	PC-id_74781897	493.019	RBRPQIBNZCDTLA-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-150438
Clc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2Cc1ccccc1)O	PC-id_22738104,SCHEMBL6774394	493.04	WZNLQRUEUBQUCA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-150439
N#Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)sc2c1CCCCC2	CoCoCo_3573888,ZINC22_34864630,MCULE-5392298217,EMOLS-id_48932932,PC-id_4851367	493.042	UXDWNTZJGARFKV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150440
CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3c(s2)CCN(C)CC3)ncc1Cl	BindingDB_PC-id_118713252,CHEMBL3330853,PC-id_118713252	493.045	SSCLTIILEZSIKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150441
Clc1ccc(n2nc(SCC(=O)Nc3sc4CCCCCc4c3C#N)sc2=S)cc1	PC-id_4662157	493.088	NGKSNTGXNJDJJT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150442
BrC(c1sc2c(CCCCC2)c1)c1c(Br)cc(c(Br)c1)C	PC-id_81474287	493.094	RVQZKEZYJKEJKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150443
CC([C@H]1C=CC2=C(N(C=C2S(=N)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)OCC4=CC=CC=C4	PC-id_149105669	493.158	QVPMAHCOABITND-ZRXXBUOJSA-N	00000000100000110111000000000010000000000000000000000000	31-01-150444
Clc1c2C(=O)N(CC(=O)Nc3nc4CCCCCc4s3)C(=O)c2c(Cl)c(Cl)c1Cl	EMOLS-id_334602867,MCULE-6425613885	493.191	MULBGFOYZPSRRY-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-150445
Clc1c(nc(Cl)c(Cl)c1Cl)C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_3967038	493.191	CYJAYESVWLDNQV-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-150446
CC1=NC=C(C=N1)CC(=O)NC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_147142005	493.232	BSHSURCBEXYRBE-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-150447
CCCCN1C(=O)N(CCCN(C(=N)Cc2ccccc2Cl)N=N)C(=O)Cc2c1nc([nH]2)Cl	PC-id_143405607	493.39	MMKGMEDOWFXKNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150448
CCOC(=O)c1nn2c(c1)CN(CC(C2)C)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16099873,PC-id_86345556	493.4	XHPUMSAXEAJPFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150449
CCOC(=O)c1nn2c(c1)CN(CCC2)C(=O)OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	SCHEMBL16100066,PC-id_86345631	493.4	VENFEBAKLYHOHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150450
CCOC(=O)c1nn2c(c1)CN(CCC2)C(=O)OCCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16094151,PC-id_86345634	493.4	ZOOUZGREWPCMKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150451
CCOC(=O)Cc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16100527,PC-id_90461140	493.4	XLCWPWYTWAZFSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150452
O=C(N1CCCn2c(C1)cc(n2)C(C(=O)O)(C)C)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_117616529,SCHEMBL16129717	493.4	DPPRIBADOLBXCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150453
c1(NC(=O)c2c(C)onc2c2c(cccc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)OC	MCULE-1757813766,ZINC22_2744702,PC-id_3496815,CoCoCo_6785586,TIMTEC449687,EMOLS-id_4168345	493.403	SJJFGIQZFOSORP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150454
Clc1c(c2noc(c2C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)C)c(Cl)ccc1	PC-id_4091103	493.403	QFCGEUTYOOBFKW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150455
Clc1c(c2n(N)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)ccc(Cl)c1	PC-id_4681214	493.433	KMIKNSAVUQJGGI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150456
Clc1c(c2n(N)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc(Cl)cc1	PC-id_4023813	493.433	IZWWJQFMFYAKHI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150457
Brc1ccc(NC(=O)c2c3CCCCCc3sc2NC(=O)C[NH+]2CCOCC2)cc1	PC-id_6961644	493.437	LSASFPWOFSDOFC-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-150458
O=C(c1cn(c2=CCC=CC(=c12)Br)CCCC1(F)COC1)NCCC1CCCCCC1	PC-id_144482054	493.452	JIKMKTKGKSAQIW-UHFFFAOYSA-N	00001000100000000110000000000010000000000000000000000000	31-01-150459
Ic1n(c2CCN(CCc2n1)C(=O)OC(C)(C)C)COCC[Si](C)(C)C	SCHEMBL14658449,PC-id_71237763	493.455	ZHBXFDTZGNLSSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-150460
Brc1ccc(C(=O)NNCC(=O)Nc2sc3CCCCCCCCCCc3n2)cc1	PC-id_30377048	493.46	AWZLAKQTRNOEMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150461
C1CCOC(C1)OC1c2cc(nn2CCCN1S(=O)(=O)c1c(ccc(c1)C=O)[N+](=O)[O-])C(=O)N	PC-id_87408671,SCHEMBL2577668	493.49	ALCHOPUSSCFLAG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150462
S(=O)(=O)(Nc1c(C(=O)NCc2n3CCCCCc3nn2)cccc1)c1cc(ccc1)C(F)(F)F	PC-id_60396293	493.502	PZTCFERQYSQBAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150463
Cc1cnc(cc1C(F)(F)F)NC(=O)c1cnc(s1)[C@@H](C)NC(=O)c1cnc2n1CCCCN2	SCHEMBL10235556,PC-id_136423191	493.505	YREUPBZZSNJMFQ-GFCCVEGCSA-N	00000000100000101101000000000010000000000000000000000000	31-01-150464
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)NOCC(CN(C)C)O	PC-id_88125970,SCHEMBL7308800	493.507	JNPWQZCPZWXZFK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-150465
FC1=CC(=C(c2c(C1)[nH]c(c2)C)F)Oc1ncnc(c1C(=O)C)Nc1ccc(cn1)N1CCNCC1	PC-id_145145384	493.509	DLAXEDBECSVWOW-UHFFFAOYSA-N	00000000100010101111100000000010000000000000000000000000	31-01-150466
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(F)cc1)C(=O)OC	PC-id_4612899	493.528	INRQDGNQXNXZKY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150467
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(F)cccc1)C(=O)OC	PC-id_4184422	493.528	HDXVRKFXCPOQJM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150468
CC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)O)C	PC-id_15020229,SCHEMBL9627092	493.538	RIQQOJCMPVERAC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150469
CC(C)c1ccc2-c(c(cc2CCCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)O)cc1	PC-id_10097221,SCHEMBL9628415,CHEMBL167643	493.538	UCUWONPFZNDIGY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150470
OC(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCCNS(=O)(=O)c1ccccc1C(F)(F)F	PC-id_19914773,SCHEMBL9627311	493.538	CYIYCJDATFLZML-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150471
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3ccc(cc3)C#CC(C)(C)O)CCn12	EMOLS-id_20452867,MCULE-7399516256,PC-id_45182632	493.548	MHZHQJZUESKGLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150472
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	CoCoCo_1204273,CoCoCo_1204274,ZINC22_11995466,PC-id_42340234	493.548	MHZHQJZUESKGLJ-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150473
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC22_11995465,PC-id_42340232,CoCoCo_1204272,CoCoCo_1204271	493.548	MHZHQJZUESKGLJ-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150474
CC(=O)O/N=C(/c1ccc2-c(cc1)cc(c2)N(c1ccc(cc1)/C(=NOC(=O)C)/C)c1ccccc1)C	PC-id_145264403	493.553	ZTDNSYUUNLURNZ-CLEGPLEPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150475
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(C(=O)CCC(=O)c3ccc(cc3)OC)CCn12	EMOLS-id_20672505,MCULE-1840560643,PC-id_45233850	493.555	WSHGEPBHIUXLBM-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150476
COc1ccc(C(=O)CCC(=O)N2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	CoCoCo_1528127,ZINC22_12450663,PC-id_25290443	493.555	WSHGEPBHIUXLBM-XMMPIXPASA-N	00000000101000110101000000000010000000000000000000000000	31-01-150477
COc1ccc(C(=O)CCC(=O)N2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1	CoCoCo_1528128,ZINC22_12450659,PC-id_25290441	493.555	WSHGEPBHIUXLBM-DEOSSOPVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150478
COCCN(CCC(=O)NCc1ccco1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-6203403907,PC-id_46049929,EMOLS-id_25388562	493.555	PXSLGYRPGCLQPW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150479
COc1cc(ccc1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1C#N	PC-id_134808991	493.556	QCNFOOYQOFCJIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150480
CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	GD-id_ZINC16376117,PC-id_27097221	493.565	NSJSSOQQYXDRNY-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-150481
Fc1ccc(cc1)S(=O)(=O)NC(=O)CCCc1cc(c2-c1ccc(cc2)C(C)C)S(=O)(=O)O	PC-id_139608185	493.568	HOAZPZVNXUVSCM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150482
C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2n(CC1)c(nn2)CCNC(=O)Cc1ccc(cc1)F	CoCoCo_1432505,CoCoCo_1432507,PC-id_26318189	493.573	JNENSANEYOMTKR-IBGZPJMESA-N	00000010100000110101000000001010000000000000000000000000	31-01-150483
C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2n(CC1)c(nn2)CCNC(=O)Cc1ccc(cc1)F	CoCoCo_1432506,CoCoCo_1432508,PC-id_26318183	493.573	JNENSANEYOMTKR-LJQANCHMSA-N	00000010100000110101000000001010000000000000000000000000	31-01-150484
Fc1ccc(CC(=O)NCCc2n3CCN(CC(Cc4cc5OCOc5cc4)C)CCc3nn2)cc1	PC-id_45218836	493.573	JNENSANEYOMTKR-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-150485
Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1	EMOLS-id_43711565,MCULE-9802318509,PC-id_4844337,ZINC22_9120460,CoCoCo_2884994	493.575	GECRIGMJTNMBCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150486
COc1cccc(c1)NC(=O)COc1ccc(cc1)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	PC-id_29911365,MCULE-9242803479,EMOLS-id_30229970	493.575	ILWWOXVYAXFZJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150487
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc2c(C(=O)N(CCC(C)C)C2=O)cc1)C#N	PC-id_3880128	493.575	RTUIFEMQXYINAV-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-150488
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(N1C(=O)c2c(C1=O)cccc2)CC(C)C)C#N	PC-id_5124863	493.575	BSMLAHXMWRCRAO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-150489
S(=O)(=O)(N1CCC(CC1)C(=O)NCCc1n2CCCCCc2nn1)c1oc(cc1)C(=O)OCC	PC-id_55651999	493.576	VNXZSGOGKUGTLZ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-150490
S(=O)(=O)(N1CCCC1)c1ccc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_19680492	493.662	PBYQBONRDIGJGI-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-150608
O1c2cc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)c4cccnc4)CC(C)C)CC3)cc(OC)c2OC1	PC-id_26362141	493.578	VIDSSMBRSCJEFD-HXUWFJFHSA-O	00000010100000101101000000001010000000000000000000000000	31-01-150491
O1c2cc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)c4cccnc4)CC(C)C)CC3)cc(OC)c2OC1	PC-id_26362144	493.578	VIDSSMBRSCJEFD-FQEVSTJZSA-O	00000010100000101101000000001010000000000000000000000000	31-01-150492
O1c2cc(C[NH+]3CCn4c(nnc4C(NC(=O)c4cccnc4)CC(C)C)CC3)cc(OC)c2OC1	PC-id_74501899	493.578	VIDSSMBRSCJEFD-UHFFFAOYSA-O	00000010100000101101000000001010000000000000000000000000	31-01-150493
s1c2c(N(CC(=O)NC(C(C)C)C(=O)c3oc(nn3)Cc3cc(ccc3)C)C(=O)CN=C2C)cc1	PC-id_21355085	493.578	CPCQYLXXHMYDSW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-150494
s1c2c(N(CC(=O)N[C@@H](C(C)C)C(=O)c3oc(nn3)Cc3cc(ccc3)C)C(=O)CN=C2C)cc1	PC-id_53732869	493.578	CPCQYLXXHMYDSW-QFIPXVFZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-150495
CCOC(=O)c1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)nc(=O)[nH]c1C	PC-id_121054162	493.596	KGACDDHSIQGYKA-UHFFFAOYSA-N	00000000100000100101000000000010000000000000000000000000	31-01-150496
COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)C(=O)c1sc2c(c1)CCCCCC2	GD-id_ZINC14936510,PC-id_26309947	493.596	WVTXTEDRYPNCCC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150497
s1c2c(CCCCC2)c(c1NC(=O)CN(S(=O)(=O)c1ccc(NC(=O)C)cc1)C)C(=O)OC	PC-id_55697826	493.596	HSWRFUUIZBRMDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150498
CC/C/1=C(/CC(N(C(=O)c2nnc(o2)N(C(=O)CC1)CCc1cn(c2c1ccc(c2)OC)C)C)C)C	PC-id_134843941	493.598	HOVHXGJFYVBTRM-ZPHPHTNESA-N	00000000100000100111000001100010000000000000000000000000	31-01-150499
COc1cc(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)cc(OC)c1OC	MCULE-8064900958,PC-id_45214709,EMOLS-id_20592115	493.598	BKEAICFQGRALSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150500
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc(OC)c1OC	CoCoCo_1406518,PC-id_26356473,CoCoCo_1406519,ZINC22_15000688	493.598	BKEAICFQGRALSR-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150501
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc(OC)c1OC	CoCoCo_1406520,CoCoCo_1406521,ZINC22_15000691,PC-id_26356477	493.598	BKEAICFQGRALSR-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-150502
COc1cc(OC)c(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)c(OC)c1	PC-id_45190612,EMOLS-id_20487203,MCULE-4157507669	493.598	SMDQQZICBDSKAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150503
COc1cc(OC)c(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)c(OC)c1	CoCoCo_1253043,ZINC22_11978750,PC-id_42329170,CoCoCo_1253044	493.598	SMDQQZICBDSKAQ-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-150504
COc1cc(OC)c(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)c(OC)c1	ZINC22_11978744,CoCoCo_1253042,CoCoCo_1253041,PC-id_42329165	493.598	SMDQQZICBDSKAQ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150505
COc1cc(OC)c(OC)cc1CN1CCc2nnc(C(C)NC(=O)CCc3ccccc3)n2CC1	PC-id_45203818,MCULE-8876406378,EMOLS-id_20545335	493.598	SSMGLVICDMUFKC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150506
COc1cc(OC)c(OC)cc1CN1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1	CoCoCo_1336706,PC-id_42451496,ZINC22_12190505,CoCoCo_1336705	493.598	SSMGLVICDMUFKC-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-150507
COc1cc(OC)c(OC)cc1CN1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1	ZINC22_12190504,CoCoCo_1336703,CoCoCo_1336704,PC-id_42451494	493.598	SSMGLVICDMUFKC-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150508
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)CCNS(=O)(=O)c1nc(n(c1)C)C)C)C#N	PC-id_56406984	493.6	MXGOTBMDLPUIRI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-150509
CCCN1C(=NCC(=C1C)N(C(=O)NC=O)C)N1CCN(CC1)CC(=O)c1c[nH]c2c1CC=CC=C2	PC-id_143035297	493.601	UXMKIHHCOFAPJX-UHFFFAOYSA-N	00000000100011000111100000000010000000000000000000000000	31-01-150510
Fc1ccc(cc1)NS(=O)(=O)CCCCCc1cc(c2-c1ccc(cc2)C(C)C)S(=O)(=O)O	PC-id_139608182	493.611	KXRWIRSIEFHYNO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150511
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)/C=C/c1cnn(c1)C)F	PC-id_138670814	493.613	OXELHNSTIZANRF-QPJJXVBHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150512
FC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)/C=C/c1cnn(c1)C)F	SCHEMBL21041167	493.613	OXELHNSTIZANRF-AJJNSDSGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150513
c1(NC(=O)c2ccc(COc3ccc4c(CCC4)c3)o2)sc2c(CCCCC2)c1C(=O)OCCC	CoCoCo_1859383,TIMTEC90827,MCULE-9366214114,EMOLS-id_2934120,PC-id_2164746,ZINC22_2744739	493.614	BYYFUOKCPYSRRE-UHFFFAOYSA-N	00000010101000100100000000001010000000000000000000000000	31-01-150514
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCCc2c1)c1ccc(F)cc1	PC-id_26636064	493.615	KEPYTDYJBIOCKY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-150515
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(Cc3ccc(c(OC)c3)F)CCn12	PC-id_45178462,MCULE-6392012928,EMOLS-id_20434745	493.616	OUANBEDGGGMDRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150516
COc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)ccc1F	CoCoCo_1179186,PC-id_42372700,CoCoCo_1179185,ZINC22_12041811	493.616	OUANBEDGGGMDRT-DEOSSOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150517
COc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)ccc1F	PC-id_42372697,CoCoCo_1179183,ZINC22_12041807,CoCoCo_1179184	493.616	OUANBEDGGGMDRT-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-150518
OC[C@@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1C)C)C	CHEBI:113266,PC-id_44505332	493.619	BGKHIKCFNCIYGU-ZJOUEHCJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150519
OC[C@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)C)C)C	CHEBI:113292,PC-id_44504947	493.619	GKHFKOWAUNRHGL-WOIUINJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150520
OC[C@@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1C)C)C	CHEBI:113359,PC-id_44504915	493.619	BGKHIKCFNCIYGU-IRFCIJBXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150521
OC[C@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1C)C)C	CHEBI:113403,PC-id_44497245	493.619	BGKHIKCFNCIYGU-SFHLNBCPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150522
OC[C@@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)C)C)C	CHEBI:113517,PC-id_44505155	493.619	GKHFKOWAUNRHGL-CNNODRBYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150523
OC[C@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)C)C)C	CHEBI:95586,PC-id_44504925	493.619	DGDOMSZWPVXBGZ-WOIUINJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150524
OC[C@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1C)C)C	CHEBI:95730,PC-id_44505119	493.619	BGKHIKCFNCIYGU-QKNQBKEWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150525
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)C)C)C	CHEBI:96452,PC-id_44505149	493.619	GKHFKOWAUNRHGL-DXIQSLLYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150526
OC[C@@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)C)C)C	CHEBI:96749,PC-id_44505118	493.619	DGDOMSZWPVXBGZ-XQBPLPMBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150527
OC[C@@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)C)C)C	CHEBI:96826,PC-id_44504916	493.619	DGDOMSZWPVXBGZ-IPJJNNNSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150528
OC[C@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)C)C)C	CHEBI:96956,PC-id_44497244	493.619	DGDOMSZWPVXBGZ-NNMXDRDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-150529
OC[C@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1C)C)C	CHEBI:96980,PC-id_44505328	493.619	BGKHIKCFNCIYGU-SBHAEUEKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150530
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1C)C)C	CHEBI:97003,PC-id_44505532	493.619	BGKHIKCFNCIYGU-DYXWJJEUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150531
OC[C@@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)C)C)C	PC-id_44504920,CHEBI:96899	493.619	DGDOMSZWPVXBGZ-CNNODRBYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150532
OC[C@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)C)C)C	PC-id_44504942,CHEBI:113287	493.619	GKHFKOWAUNRHGL-NNMXDRDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-150533
OC[C@@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)C)C)C	PC-id_44504946,CHEBI:113411	493.619	GKHFKOWAUNRHGL-XQBPLPMBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150534
OC[C@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)C)C)C	PC-id_44505113,CHEBI:96766	493.619	DGDOMSZWPVXBGZ-KNKQGSTJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150535
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c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3ccc(cc3)C(C)C)CCn12	EMOLS-id_20550967,PC-id_45205114,MCULE-9878250339	493.641	UIJARWJGDONLCU-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150580
CC(CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NC1CCCCC1)C	EMOLS-id_25387724,MCULE-7792962343,PC-id_46049921	493.641	BATIRUOOTZZLOI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150581
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(C(C)C)cc2)CC3)o1	PC-id_42481549,CoCoCo_1345029,ZINC22_12244227,CoCoCo_1345030	493.641	UIJARWJGDONLCU-DEOSSOPVSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150582
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(C(C)C)cc2)CC3)o1	PC-id_42481551,CoCoCo_1345028,CoCoCo_1345027,ZINC22_12244228	493.641	UIJARWJGDONLCU-XMMPIXPASA-N	00000000101000110101000000000010000000000000000000000000	31-01-150583
O1CCCN(Cc2nc(n[nH]2)CN(CCCOCCOCC1)Cc1ccccc1)Cc1ccccc1	PC-id_15048365	493.641	BRQSAVFOWSQCMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150584
O=C(N1CCC(CC1)C)CCN(CC(C)C)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049618	493.641	WOPDRCJDBPJGQU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150585
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)NCc1ccccc1)C(=O)OC	PC-id_20408495	493.641	FXRKBXRFVXNUTC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150586
Cc1ccccc1c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	CoCoCo_1192497,PC-id_26275151,ZINC22_14879311,CoCoCo_1192496	493.642	RFAIKTJOUXPGMB-XMMPIXPASA-N	00000000100000110101100000000010000000000000000000000000	31-01-150587
Cc1ccccc1c1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1	CoCoCo_1192498,ZINC22_14879312,PC-id_26275153,CoCoCo_1192499	493.642	RFAIKTJOUXPGMB-DEOSSOPVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150588
CC(NC(=O)CCc1ccccc1)c1nnc2CCN(Cc3ccc(cc3)c3ccccc3C)CCn12	EMOLS-id_20444421,PC-id_45180695,MCULE-1842881035	493.642	RFAIKTJOUXPGMB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150589
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccccc1	PC-id_20180797	493.662	IOXQGARFRJMYGF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150609
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1nnc2n1CCCCC2	MCULE-1066253393,PC-id_16348425,EMOLS-id_43952081,ZINC22_9792708,CoCoCo_4054380	493.643	IQTLBCAELKQEDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150590
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCCc2c1)c1nc(n(c1)C)C	PC-id_56230113	493.643	FOXPDIAXNHGGEV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150591
C=CCn1c(nnc1c1ccccc1OC)SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	MCULE-2793273637,PC-id_16333080,EMOLS-id_11771627	493.644	ASIKRUFBCUWTDC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150592
C=CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccccc1OC	CoCoCo_4177891,PC-id_41213800,ZINC22_9788861	493.644	ASIKRUFBCUWTDC-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150593
C=CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1ccccc1OC	PC-id_41213801,ZINC22_9788862,CoCoCo_4177892	493.644	ASIKRUFBCUWTDC-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150594
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(c(nn1)c1ccc(OC)cc1)CC=C)C)C#N	PC-id_24498009	493.644	LZQXRBZWMWSBIP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150595
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC=C)C#N	PC-id_17302132	493.644	YZOJZNXTFLBKTD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150596
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC=C)C#N	PC-id_19732032	493.644	HUXRDASEESDLFC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150597
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC=C)C#N	PC-id_20123929	493.644	AOFYMCMRZLUQLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150598
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)CC=C)C#N	PC-id_17304485	493.644	XXCVIPCJWMDDSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150599
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC=C)C#N	PC-id_19634992	493.644	NKTDDZCOTIXMRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150600
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC=C)C#N	PC-id_21165054	493.644	ZSJIQYOHFRFIPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150601
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)CC=C)C#N	PC-id_21165474	493.644	SFZUBWQQHQJGOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150602
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC=C)C#N	PC-id_17301761	493.644	QJSMYBXECIYOJO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150603
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)CC=C)C#N	PC-id_19730671	493.644	CLHPSWNERSYXGQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150604
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)CC=C)C#N	PC-id_17270830	493.644	JWBBTPZKEZTEPF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150605
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)CC=C)C#N	PC-id_19733314	493.644	OJSDJTLTNNNMSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150606
O=C1N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNCc2nnn(CCN[C@H]1CCCCN)c2)C=O	PC-id_73214062	493.646	XTFCVOVYPNEFCH-JBACZVJFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-150607
CCc1ccccc1NC(=O)CN1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC22_23376688	493.664	CNANUOUPMYGZGX-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-150610
CCc1ccccc1NC(=O)CN1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC22_23376690	493.664	CNANUOUPMYGZGX-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150611
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)CC(=O)Nc1c(c(ccc1)C)C)C#N	PC-id_24451364	493.664	BJYLMNLJRHDICQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150612
S1(=O)(=O)CC(CC1)Cc1n(c(SC(C(=O)Nc2sc3CCCCCc3c2C#N)C)nn1)C	PC-id_16349730	493.666	OWKGXHGYAVMDAA-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-150613
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C[NH+]1CCCC1)c1ccccc1)C#N	PC-id_51469479	493.667	SMVWUZQSCZELNI-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-150614
s1c2CCCCCc2c(c1NC(=O)CSc1n(N)c(SCC(=O)N(CC)CC)nn1)C#N	PC-id_24377482	493.669	GSVAQZJMUMRPFR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-150615
C/C=C/1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)OCCCC1CCN(CC1)CC(C)C	PC-id_143189040	493.684	GGSHPDYLSHMQPZ-GOTRBWPWSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150616
CC(C)(C)NC(=O)Cn1c2c(C(CC=CCC2)CC(C)(C)NC(=O)C2=CC3C2CCC=CCC3)nn1	SCHEMBL19954505,PC-id_134331539	493.684	MWGHZZGGGRJGPK-UHFFFAOYSA-N	00001100100000000111001000000010000000000000000000000000	31-01-150617
S(=O)(=O)(N1CCN(CC1)CCC(=O)Nc1sc2c(CCCCC2)c1C#N)N1CCCCCC1	PC-id_16599157	493.686	DNLNACTXQFLPNV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150618
S(=O)(=O)(N1CCN(CC1)C(C)C(=O)Nc1sc2c(CCCCC2)c1C#N)N1CCCCCC1	PC-id_16599280	493.686	HJPXRCKAPOSKME-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150619
S(=O)(=O)(N(C1CCCCC1)C)N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C#N	PC-id_55626327	493.686	NLDCVOJXQYVXMI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150620
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC)C#N	PC-id_20124751	493.687	QVRHXHVWSILLNB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150621
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC)C#N	PC-id_20125017	493.687	WELIATFOOQYLPI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150622
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)C)C#N	PC-id_20124686	493.687	FHDQCKUCGNETIT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150623
C=C[C@@H]1c2cc(sc2CCN([C@@H]1C(=O)O)S(=O)(=O)c1ccc(cc1)OC)CC[Si](C)(C)C	PC-id_139966470	493.711	SCLUEMUSOHHTDS-KNQAVFIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150624
S(=O)(=O)(N1C(C(c2c(scc2)CC1)C=C)C(=O)OCC[Si](C)(C)C)c1ccc(OC)cc1	PC-id_76475784	493.711	OOOUTQJOCVJLLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150625
S(=O)(=O)(N1[C@H]([C@H](c2c(scc2)CC1)C=C)C(=O)OCC[Si](C)(C)C)c1ccc(OC)cc1	PC-id_57074604	493.711	OOOUTQJOCVJLLF-SIKLNZKXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150626
Clc1ccc(c(c1)Cl)C(=O)Nc1ccc(cc1Cl)C(=O)N1CCCC(=O)c2c1ccs2	SCHEMBL6989537,PC-id_69954057	493.79	PPWJOMXATCNBBH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150627
Clc1cc(ccc1C(=O)N1CCCC(=O)c2c1ccs2)NC(=O)c1cccc(c1Cl)Cl	SCHEMBL6987427,PC-id_69953222	493.79	HUYZKJHFAVWEPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150628
Clc1cc(ccc1C(=O)N1CCCC(=O)c2c1ccs2)NC(=O)c1c(Cl)cccc1Cl	SCHEMBL6995599,PC-id_69955761	493.79	HRBNZOPDAKSRIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150629
Brc1c(OC)c(S(=O)(=O)NNC(=O)c2sc3CCCCCc3c2)cc(Cl)c1	PC-id_31777306	493.823	GMIXCGTYUYTHIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150630
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1Cl)NC(=O)c1cccc(c1C)Cl	PC-id_69955283,SCHEMBL6993693	493.833	KGONJXPVWJGBCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150631
Clc1ccc(c(c1)Cl)C(=O)Nc1ccc(c(c1)C)C(=O)N1CCCCc2c1cc(s2)Cl	PC-id_142627629	493.833	IOQYJBVTFHRRPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150632
Clc1ccc(c(c1)C(=O)Nc1ccc(c(c1)C)C(=O)N1CCCCc2c1cc(s2)Cl)Cl	PC-id_142627637	493.833	UMYDSHJYWQDKEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150633
Clc1ccc(cc1)Cn1nc(c2c1CCN(CC2)C(=O)OC(C)(C)C)S(=O)(=O)C(F)(F)F	PC-id_67269189,SCHEMBL2074996	493.928	WOAOFQCADYUFEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150634
Clc1c(cc(S(=O)(=O)NCCC(=O)NCCc2n3CCCCCc3nn2)cc1)C(F)(F)F	PC-id_55534928	493.931	IVFNERWDLFRQBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150635
Clc1c(c2oc(CN3CCn4c(nnc4CNC(=O)Cc4cc(F)ccc4)CC3)cc2)cccc1	CoCoCo_1136683,PC-id_30853799,CoCoCo_1136682	493.96	SVWAIXRUKKAVMK-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-150636
Clc1ccc(c2oc(CN3CCn4c(nnc4CCNC(=O)c4ccc(F)cc4)CC3)cc2)cc1	GD-id_ZINC14951172,PC-id_26316554,CoCoCo_1427326,CoCoCo_1427327	493.96	CUFGAKZVBWJAOF-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-150637
Fc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(o3)c3cccc(Cl)c3)CCn12	CoCoCo_1410034,PC-id_26358298,MCULE-8548307628,EMOLS-id_20594577,CoCoCo_1410033,ZINC22_15002469	493.96	CRJICTXOIYEFJW-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-150638
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4ccc(o4)c4cccc(Cl)c4)CCn23)c1	MCULE-4785005376,EMOLS-id_20435363,CoCoCo_1180064,PC-id_28391746,ZINC22_19838122,CoCoCo_1180065	493.96	MAWVZWQZCZNJDP-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-150639
Fc1cccc(CC(=O)NCc2nnc3CCN(Cc4ccc(o4)c4ccc(Cl)cc4)CCn23)c1	PC-id_29084462,ZINC22_20598312,CoCoCo_1252477,EMOLS-id_20486821,CoCoCo_1252476,MCULE-7666670076	493.96	YBWPZLKSBDTDLG-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-150640
Clc1ccc(c(c1)NS(=O)(=O)c1cc2c(o1)C=CCCC2C)S(=O)(=O)Cc1ncccn1	SCHEMBL19336550	493.984	QKVUGLXPIKNNFU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-150641
OC(=O)CCc1ccc(cc1C)Oc1cccc(c1)CNC(=O)c1sc2c(c1)C=C(CC=C2)Cl	PC-id_143058669	494.002	LLFGUOVHSMDNCV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-150642
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)nc2)ccc(F)c1	PC-id_20179331	494.005	CQUJAJASXZXJLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150643
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1F	PC-id_22195420	494.022	CZBYOJQKNVOBHE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150644
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc(F)c1	PC-id_22194468	494.022	FDRVXHOVYDDEPR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150645
CC(=C)c1ccc2-c(cc1)c(cc2CCCCN(S(=O)(=O)c1ccccc1)Cl)S(=O)(=O)O	PC-id_139605642	494.023	ZGAYGYGTBWNPNV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150646
Clc1ccc(S(=O)(=O)N2CC[NH+](CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)cc1	GD-id_ZINC09507515,PC-id_41100907	494.05	UXDWNTZJGARFKV-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-150647
CC1(CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)F)CC4=CC(=NC=C4)Cl	PC-id_165164758	494.099	IMOLIIKMXAPTPW-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-150648
CC1(CCC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)F)CC4=CN=C(C=C4)Cl	PC-id_165164750	494.099	OTFZUSWUBNPCHH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-150649
CC1=C(SC2=C1SC[C@@H](C(=O)N2C)NC(=O)C3=NN=C(C3)CC4=CC=CC=C4)C#CC(C)(C)O	PC-id_164113210	494.145	PTPVJWDNFGWTDZ-IBGZPJMESA-N	00000011100000110101000000000010000000000000000000000000	31-01-150650
C1CC(CCC1CCN2CCC3=C(CC2)SC(=N3)OCC(F)(F)F)CC(=O)CC4CC4(F)F	PC-id_161768179	494.203	XONNGXRAZCPREO-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-150651
Brc1ccc(cc1)CC1(COc2c(OC1)csc2)Cc1ccc(cc1)Br	SCHEMBL17129670,PC-id_118408496	494.239	CUCAOGVGLMDOFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150652
Brc1sc(Br)c2OCC(Cc3ccccc3)(Cc3ccccc3)COc12	PC-id_58403352,SCHEMBL2341681	494.239	RMASRYZYOVWSCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150653
c1(C(F)(F)F)c(Br)c(n(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)n1)C	CoCoCo_5816570,EMOLS-id_8247824,ZINC22_688922,PC-id_1022887,MCULE-6101878126,SPECS-id_AK-968/37172073	494.326	MRWNQPBXVXGZLS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-150654
C[C@H]1CN(C(=O)c2cc3c(o2)CCCNC3=O)CCN1C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1	ZINC22_2325826929	494.368	QBSGTHUYLKVCGH-UONOGXRCSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150655
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(C(=O)c2cc3c(o2)CCCNC3=O)C[C@@H]1C	ZINC22_2325826927	494.368	QBSGTHUYLKVCGH-KBPBESRZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150656
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(C(=O)c2cc3c(o2)CCCNC3=O)C[C@H]1C	ZINC22_2325826928	494.368	QBSGTHUYLKVCGH-KGLIPLIRSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150657
C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(C(=O)c2cc3c(o2)CCCNC3=O)C[C@H]1C	ZINC22_2325826930	494.368	QBSGTHUYLKVCGH-ZIAGYGMSSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150658
CC(C(=O)O)Nc1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90461036,SCHEMBL16100392	494.388	TWDREZUVPJMBIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150659
CN(C(=O)c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC	PC-id_86345595,SCHEMBL16093626	494.388	ACYHQDYERZAUQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150660
Clc1c(C(=O)NCC(=O)OC(C(=O)Nc2sc3CCCCCc3c2C#N)C)ccc(Cl)c1	PC-id_55419092	494.391	XCRWGVHJPQAAFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150661
O=C(NCc1nnc2n1CCCCC2)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	CoCoCo_4561654,ZINC22_14485247,EMOLS-id_17216528,MCULE-2323720865,PC-id_24610285	494.394	HCCAPMRYENKPMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150662
BrC(=CC1OC(=O)C#CC=C(CC(OC(=O)CC(=O)CCc2nc(sc2)C1)C)C)C	PC-id_72259772	494.399	SSJRKSLNIIYSEH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-150663
Br/C(=C/[C@H]1OC(=O)C#C/C=C(/C[C@@H](OC(=O)CC(=O)CCc2nc(sc2)C1)C)C)/C	SCHEMBL12779361,PC-id_59343227	494.399	SSJRKSLNIIYSEH-XHVQDECWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-150664
CC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(c(c1)Cl)Cl)C(=O)O)C	PC-id_15020227,SCHEMBL9627055	494.431	FKZSGGMXBTZODH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150665
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_3531037,EMOLS-id_4412825,STOCK1S-86149,MCULE-2772364943,ZINC22_9339714	494.451	SWMPBHIIFBCHGG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150666
PCOc1ccc(cc1)C#Cc1ccc2-c(cc1)c(c(c2)C)C(=O)Oc1cc(C)c(c(=O)n1C)C#N	SCHEMBL14032317,PC-id_58676062	494.478	NIKOEEZHTRXJHV-UHFFFAOYSA-N	00000010100000111110000000000010000000000000000000000000	31-01-150667
S(=O)(=O)(Nc1ncccn1)c1ccc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)cc1	PC-id_19523631	494.49	ZMSLQSHBFUUKLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150668
CCOC(=O)Oc1c2-c(ccc(cc2)CC(=O)N(C)OCCOCCO)c(c1N)OC(=O)OCC	SCHEMBL7310451,PC-id_88126150	494.492	TXUQOUKNOUQBBM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-150669
CCOC(=O)C(c1ccc(cc1)[N+](=O)[O-])c1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	PC-id_102461568	494.493	WNLMOJYSDSAXNB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150670
CC(c1ccc(nc1)c1ccc(c(c1)C(=O)NC1CCC1)F)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14966091,PC-id_89580395	494.518	LFIQDLNSZSXQAQ-UHFFFAOYSA-N	00001000100000111101100000000010000000000000000000000000	31-01-150671
CC(c1ccc(nc1)c1ccc(c(c1)F)C(=O)NC1CCC1)N1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	SCHEMBL14965555,PC-id_71571178	494.518	GUXMFDMFXIOWSH-UHFFFAOYSA-N	00001000100000111101100000000010000000000000000000000000	31-01-150672
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc(c2c1nc(cc2C(F)(F)F)C)C)C(=O)OCC	PC-id_19503878	494.53	QJUGLRFSFLUXET-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-150673
s1c2CCCCCCc2cc1C(=O)NNC(=O)CCc1c(n2nc(nc2nc1C)C(F)(F)F)C	PC-id_46656691	494.533	OOKPSCGWEUYZMQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-150674
o1c2nc(c1CCC=CCNC(=O)OCC(NC(=O)OC(C)(C)C)C(=O)NC2C(C)C)C(=O)OC	PC-id_6709756	494.538	RRYAGJUXDGEIQK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-150675
OCC(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)[N+](=CCC4)CCN3CCCC3)/c2cc1F	PC-id_145511576	494.538	ZPVRQSZPKQENCK-UHFFFAOYSA-O	00000010100000100110000000001010000000000000000000000000	31-01-150676
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)Cc3cccc(c3)C(F)(F)F)CCn12	MCULE-7416963815,EMOLS-id_20443733,PC-id_45180540	494.553	APXGRZWDFAAGGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150677
CC(C)C[C@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)Cc1cccc(C(F)(F)F)c1)CC2	PC-id_26274913,ZINC22_14879101,CoCoCo_1191676	494.553	APXGRZWDFAAGGY-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-150678
CC(C)C[C@@H](NC(=O)CN(C)C)c1nnc2n1CCN(C(=O)Cc1cccc(C(F)(F)F)c1)CC2	ZINC22_14879100,CoCoCo_1191675,PC-id_26274911	494.553	APXGRZWDFAAGGY-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150679
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)C#CC(O)(C)C)C)cc(F)cc1	PC-id_74844148	494.556	MHZHQJZUESKGLJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150680
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)C#CC(O)(C)C)C)cc(F)cc1	PC-id_42340231	494.556	MHZHQJZUESKGLJ-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150681
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(cc2)C#CC(O)(C)C)C)cc(F)cc1	PC-id_42340233	494.556	MHZHQJZUESKGLJ-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150682
c12C(=O)N(CCCn1nc(C(=O)NCCc1ccc(c(OCC)c1)OCC)c2)Cc1ccc(cc1)F	EMOLS-id_16324726,CoCoCo_2544589,MCULE-7108807686,PC-id_20964757	494.558	IZIRAUPSKMGEFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150683
c1(C(C)NC(=O)c2cc(F)ccc2F)nnc2CCN(Cc3cnc(c4ccccc4)s3)CCn12	EMOLS-id_20420203,PC-id_45175101,MCULE-8847804970	494.559	BVEYPAWZLWFWNM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150684
C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	CoCoCo_1159087,CoCoCo_1159088,ZINC22_11975278	494.559	BVEYPAWZLWFWNM-INIZCTEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150685
C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cnc(c3ccccc3)s1)CC2	ZINC22_11975272,CoCoCo_1159085,CoCoCo_1159086	494.559	BVEYPAWZLWFWNM-MRXNPFEDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150686
COc1cc(OC)ccc1CNc1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)C	PC-id_58256704,SCHEMBL12598920	494.563	VAGAAUWKLITQQS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-150687
COC(=O)c1c(NC(=O)CN2C(=O)NC(C2=O)Cc2c[nH]c3c2cccc3)sc2c1CCCCC2	MCULE-4456935722,EMOLS-id_3278475,PC-id_4030968	494.563	CQYZDHRLYLIXST-UHFFFAOYSA-N	00000010100000100101000001100010000000000000000000000000	31-01-150688
COC(=O)c1c(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)sc2c1CCCCC2	CoCoCo_2840006,ZINC22_3392798,PC-id_2511076	494.563	CQYZDHRLYLIXST-SFHVURJKSA-N	00000010100000100101000001100010000000000000000000000000	31-01-150689
COC(=O)c1c(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)sc2c1CCCCC2	PC-id_2511073,CoCoCo_2840007,ZINC22_3392795	494.563	CQYZDHRLYLIXST-GOSISDBHSA-N	00000010100000100101000001100010000000000000000000000000	31-01-150690
CCCCn1c(SCC(=O)NCCc2nnc3n2CCCCC3)nc2c1ccc(c2)C(F)(F)F	PC-id_112813650	494.576	IIVNTUFAEPDUDJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-150691
CC1C#CC(=c2c(=C1OC)c(c[nH]2)C(=O)C(=O)N1CCC(=C(C#CC2CC2)c2ccccc2)CC1)OC	PC-id_89985607	494.581	MERLPIKBECTOFK-UHFFFAOYSA-N	00100000100010110110000000000010000000000000000000000000	31-01-150692
C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2n(CC1)c(nn2)CCNC(=O)Cc1ccc(cc1)F	GD-id_ZINC14954289,PC-id_26318188	494.581	JNENSANEYOMTKR-IBGZPJMESA-O	00000010100000110101000000001010000000000000000000000000	31-01-150693
COC1=c2c(c[nH]c2=C(C#C[C@H]1C)OC)C(=O)C(=O)N1CCC(=C(c2ccccc2)C#CC2CC2)CC1	SCHEMBL15494331	494.581	MERLPIKBECTOFK-HXUWFJFHSA-N	00100000100010110110000000000010000000000000000000000000	31-01-150694
COc1cc(C=CC(=O)O)cc(c1OC)S(=O)(=O)NNC(=O)c1sc2c(c1)CCCCCC2	PC-id_74275274,MCULE-2213108495,EMOLS-id_257854704	494.581	NZAUORMZOKAHRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150695
COCCOC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)sc(C(=O)N)c1C	MCULE-6121357054,EMOLS-id_2881172,PC-id_4855140,ZINC22_9666575,CoCoCo_2861380	494.581	BIYFCANVNJZCPS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-150696
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CC(Cc4cc5OCOc5cc4)C)CCc3nn2)cc1	PC-id_74495754	494.581	JNENSANEYOMTKR-UHFFFAOYSA-O	00000010100000110101000000001010000000000000000000000000	31-01-150697
Fc1ccc(CC(=O)NCCc2n3CC[NH+](C[C@@H](Cc4cc5OCOc5cc4)C)CCc3nn2)cc1	PC-id_26318182	494.581	JNENSANEYOMTKR-LJQANCHMSA-O	00000010100000110101000000001010000000000000000000000000	31-01-150698
O=C(N1C[C@@H]([C@H](C1)CNC(c1ccc2-c1ccccc2)C)c1ccccc1)Oc1ccc(cc1)C(=O)O	PC-id_140126300	494.581	ORVMBIXHPRDNHX-PFGXSKHKSA-N	00000010100000110110100000000010000000000000000000000000	31-01-150699
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)c(OC)cc(c1)/C=C/C(=O)OC	PC-id_56129689	494.581	PVGLQASFVWYWFY-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150700
s1c2CCCCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)c(OC)cc(c1)C=CC(=O)OC	PC-id_76302666	494.581	PVGLQASFVWYWFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150701
s1c2c(CCCCC2)c(c1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_41324363	494.581	XECOCINBYOZNRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150702
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OC	PC-id_2602477	494.581	LLZYGGXRJRJRFF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150703
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_44009386	494.581	VDZCPCXSXWPOLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150704
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1c(OC)c(OC)cc(c1)/C=C/C(=O)O	PC-id_24421461	494.581	NZAUORMZOKAHRN-MDZDMXLPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150705
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)CC(C)C	ZINC22_1772705263,MCULE-7935263916,EMOLS-id_317502589,PC-id_137337106	494.584	MBGYNSVUSXXHQM-QXGSTGNESA-N	00000000100000000101000000000010000000000000000000000000	31-01-150706
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3c(OC)cc(cc3OC)OC)CCn12	EMOLS-id_20431073,MCULE-5457263910,PC-id_45177617,ChEMBL-DNDi_CHEMBL16024525	494.586	FUHPRZWZCPFJQN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-150707
COc1cc(OC)c(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(OC)c1	CoCoCo_1174081,ZINC22_12036421,CoCoCo_1174080,PC-id_42367605	494.586	FUHPRZWZCPFJQN-XMMPIXPASA-N	00000000100000111101000000000010000000000000000000000000	31-01-150708
COc1cc(OC)c(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(OC)c1	PC-id_42367600,CoCoCo_1174083,ZINC22_12036417,CoCoCo_1174082	494.586	FUHPRZWZCPFJQN-DEOSSOPVSA-N	00000000100000111101000000000010000000000000000000000000	31-01-150709
COCCC(=O)NC(c1nnc2n1CCN(CC2)C(=O)c1c(C)onc1c1ccccc1)CC(C)C	PC-id_45188323,ChEMBL-DNDi_CHEMBL23579242	494.586	LUHKBXUKQYWDMJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150710
s1c2CCCCCc2cc1C(=O)NNC(=O)c1ccc(NC2=NS(=O)(=O)c3c2cccc3)cc1	PC-id_31846072	494.586	AZXBJOLBQZTVLB-UHFFFAOYSA-N	00000011100000110101000000001010000000000000000000000000	31-01-150711
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)C=NC(=O)Cc1noc(c1)C)F	PC-id_145452054	494.598	TWLRKDXOWBDRBP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150712
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccc(F)cc1	PC-id_16923859	494.599	MDKGXDFSGNJLEB-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-150713
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccc(F)cc1	PC-id_16861656	494.599	AKBUHZWLGGDWPP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-150714
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccc(F)cc1	PC-id_41826251	494.599	NTTYCUUEYOKILL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-150715
c1(c2CCCCCc2sc1N=Cc1cc(OC)c(cc1OC)OC)C(=O)Nc1ccc(cc1)OC	MCULE-9639425333,PC-id_3710738	494.602	LEQBFONHFNYWIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150716
COc1ccc(cc1)NC(=O)c1c(/N=Cc2cc(OC)c(cc2OC)OC)sc2c1CCCCC2	CoCoCo_6728563	494.602	LEQBFONHFNYWIK-NTFVMDSBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150717
COc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2cc(OC)c(OC)cc2OC)cc1	TIMTEC282447,ZINC22_15945613,CoCoCo_6728562,EMOLS-id_46413571,PC-id_9632196	494.602	LEQBFONHFNYWIK-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-150718
Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)Nc1nc2CCCCCc2s1	MCULE-8969550856,EMOLS-id_323357412	494.603	ZJAJTNVFLUHUSS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150719
s1c2CCCCCc2cc1C(=O)OCC(=O)N(C1C(N(CCCC)C(=O)NC1=O)N)CCOC	PC-id_74543558	494.604	UQOORYBYROHLBU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150720
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	CoCoCo_4232017,ZINC22_9577818,CoCoCo_4232018,PC-id_41131180	494.606	DNQYHKUVZKQISR-INIZCTEOSA-N	00000010100010100101000000001010000000000000000000000000	31-01-150721
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	CoCoCo_4232019,PC-id_41131183,ZINC22_9577820,CoCoCo_4232020	494.606	DNQYHKUVZKQISR-MRXNPFEDSA-N	00000010100010100101000000001010000000000000000000000000	31-01-150722
N#Cc1c(NC(=O)C(N2CCC(CC2)C(=O)Nc2ccc3c(c2)OCO3)C)sc2c1CCCCC2	EMOLS-id_11807830,PC-id_16361845,MCULE-3918221538	494.606	DNQYHKUVZKQISR-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-150723
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)cc(OC)c1OC)C	PC-id_26356472	494.606	BKEAICFQGRALSR-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150724
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)cc(OC)c1OC)C	PC-id_26356476	494.606	BKEAICFQGRALSR-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-150725
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cc(OC)c1OC)C	PC-id_74501454	494.606	BKEAICFQGRALSR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150726
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)cc(OC)c(OC)c1)C	PC-id_42451493	494.606	SSMGLVICDMUFKC-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150727
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)cc(OC)c(OC)c1)C	PC-id_42451495	494.606	SSMGLVICDMUFKC-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-150728
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)c(OC)cc(OC)c1)C	PC-id_42329164	494.606	SMDQQZICBDSKAQ-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150729
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)c(OC)cc(OC)c1)C	PC-id_42329169	494.606	SMDQQZICBDSKAQ-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-150730
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)cc(OC)c(OC)c1)C	PC-id_74804245	494.606	SSMGLVICDMUFKC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150731
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)c(OC)cc(OC)c1)C	PC-id_74843672	494.606	SMDQQZICBDSKAQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150732
COC(=O)N1CCCc2sc(cc2C[C@@H](OCC1)C)C(=O)NCc1ccc(cc1)S(=O)(=O)C	PC-id_142419377	494.624	SDXGEZOKNUSKDV-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150733
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cc1	PC-id_42372696	494.624	OUANBEDGGGMDRT-XMMPIXPASA-O	00000000100000110101000000000010000000000000000000000000	31-01-150734
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cc1	PC-id_42372699	494.624	OUANBEDGGGMDRT-DEOSSOPVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150735
Fc1c(OC)cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3cc(cc(c3)C)C)CC(C)C)CC2)cc1	PC-id_74800375	494.624	OUANBEDGGGMDRT-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150736
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)N(CC)CC)c(OC)cc1)C(=O)OC	PC-id_55377264	494.624	JQJWSOSQCXDNHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150737
s1c2c(CCCCC2)c(c1NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)c(OC)cc1)C(=O)OC	PC-id_55763075	494.624	RDGYBPZKVHLJBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150738
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)OCCN1CCCCC1)C	SCHEMBL19702845	494.626	FWXOVEIYQLWYGI-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-150739
CC(C)[C@@H](C(=O)N)NC(=O)CCCCCNC(=O)COC1CCCCCc2c1nnn2CC(C)O	PC-id_134575449,SCHEMBL20226635	494.627	JQHUQPCMWXCVGP-FQVRHNBASA-N	00000000100000000101000000000010000000000000000000000000	31-01-150740
CC(C(C(=O)NC1CCCc2ncsc2CCNC(=O)C1O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110419,PC-id_138731259	494.627	WTHXSVFPXZSTDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150741
COC(=O)c1c(NC(=O)C2CCCN(C2)S(=O)(=O)c2cnn(C)c2C)sc2CCCCCc12	MCULE-9614999315,PC-id_17024954,TIMTEC105423,EMOLS-id_4169135	494.627	CPEKKKHLVXDUJO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150742
COC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)sc2c1CCCCC2	PC-id_40433516,ZINC22_2732450,CoCoCo_6593798	494.627	CPEKKKHLVXDUJO-OAHLLOKOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150743
COC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)sc2c1CCCCC2	ZINC22_2732451,PC-id_40433517,CoCoCo_6593797	494.627	CPEKKKHLVXDUJO-HNNXBMFYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150744
S(=O)(=O)(N1CC(CCC1)C(=O)NNC(=O)c1sc2CCCCCCc2c1)c1c(onc1C)C	PC-id_46656712	494.627	KWANYTZDSMWJTQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150745
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3ccc(cc3)N(C)C)CCn12	PC-id_45197362,MCULE-2833264023,EMOLS-id_20517157	494.629	OCBJALRYQCGMCB-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150746
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(N(C)C)cc2)CC3)o1	CoCoCo_1295984,ZINC22_11912661,PC-id_42277166,CoCoCo_1295985	494.629	OCBJALRYQCGMCB-HSZRJFAPSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150747
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(N(C)C)cc2)CC3)o1	ZINC22_11912660,CoCoCo_1295987,PC-id_42277164,CoCoCo_1295986	494.629	OCBJALRYQCGMCB-QHCPKHFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150748
O=C(N1CCN(CC1)C)CCN(C(CC)C)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_42854966	494.629	MJNOUHKCJDFCBL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150749
O=C(NCCN(CC)CC)C1N(CCCC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_42854937	494.629	WKJJWGTWKMGNKY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150750
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3ccc(cc3)c3ccccc3C)CCn12	MCULE-6730863949,PC-id_45173603,EMOLS-id_20413622	494.631	VETACPNKTWDBGX-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-150751
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3cccc(c4ccccc4C)c3)CCn12	EMOLS-id_20409810,PC-id_45172695,MCULE-2298842006	494.631	SNOQQUKTUJJBPJ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-150752
s1c2c(CCCCC2)c(c1NC(=O)CN1CCCN(CC1)C(=O)CCc1ccc(OC)cc1)C#N	PC-id_56361341	494.649	CBVSCJHZFZZYJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150770
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3ccc(cc3)N(C)c3ccccc3)CCn12	MCULE-6970996238,EMOLS-id_20482253,PC-id_45189472	494.631	PWLIWYBIUAJLRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150753
Cc1ccccc1c1cccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1	CoCoCo_1144781,CoCoCo_1144782,ZINC22_19740212,PC-id_28309572	494.631	SNOQQUKTUJJBPJ-NDEPHWFRSA-N	00000000100000111101100000000010000000000000000000000000	31-01-150754
Cc1ccccc1c1cccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1	PC-id_28309571,ZINC22_19740210,CoCoCo_1144779,CoCoCo_1144780	494.631	SNOQQUKTUJJBPJ-MUUNZHRXSA-N	00000000100000111101100000000010000000000000000000000000	31-01-150755
Cc1ccccc1c1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1	CoCoCo_1149949,PC-id_28310420,ZINC22_19741418,CoCoCo_1149950	494.631	VETACPNKTWDBGX-NDEPHWFRSA-N	00000000100000111101100000000010000000000000000000000000	31-01-150756
Cc1ccccc1c1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1	PC-id_28310419,CoCoCo_1149948,ZINC22_19741416,CoCoCo_1149947	494.631	VETACPNKTWDBGX-MUUNZHRXSA-N	00000000100000111101100000000010000000000000000000000000	31-01-150757
Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	CoCoCo_1246008,PC-id_42166876,CoCoCo_1246009,ZINC22_11786610	494.631	PWLIWYBIUAJLRL-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150758
Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	CoCoCo_1246010,ZINC22_11786613,CoCoCo_1246011,PC-id_42166880	494.631	PWLIWYBIUAJLRL-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150759
Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(N(C)c4ccccc4)cc2)CC3)cc1	CoCoCo_1370300,ZINC22_12247327,MCULE-3375697744,PC-id_42484695,EMOLS-id_20568145,CoCoCo_1370299	494.631	XDLIYLXHUGNROJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150760
Cc1ccc(NC(=O)c2sc3nc(CSc4nnc5n4CCCCC5)[nH]c(=O)c3c2C)c(C)c1	ZINC22_9812337,EMOLS-id_11711537,CoCoCo_3081971,MCULE-8097904824,PC-id_16293274	494.632	JUIQSRBXWUIUOE-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-150761
S(c1n2CCCCCc2nn1)CC1=NC(=O)C2C(=C(SC2=N1)C(=O)Nc1c(cc(cc1)C)C)C	PC-id_73247516	494.632	HCFYAQPXGYKJPB-UHFFFAOYSA-N	00000011100011110101000000000110000000000000000000000000	31-01-150762
CCCc1ccc(cc1)c1ccc(cc1)C(=O)OCCCCCCOC1COc2c(OC1)csc2	PC-id_57838401,SCHEMBL13701406	494.642	XFWJXNAHZJHENQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150763
O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2OCc2ccccc2)sc2c1CCCCCC2	ZINC22_408972739	494.647	WARXSNMVLGCUEB-RUMWWMSVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150764
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OCc3ccccc3)cc2)sc2c1CCCCCC2	ZINC22_408969091	494.647	HDGJTIUAWIIHPU-RUMWWMSVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150765
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)CC(C)C)c1oc(cc1)COC	PC-id_74807194	494.649	UIJARWJGDONLCU-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-150766
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)CC(C)C)c1oc(cc1)COC	PC-id_42481548	494.649	UIJARWJGDONLCU-DEOSSOPVSA-O	00000000101000110101000000000010000000000000000000000000	31-01-150767
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)C(C)C)CC(C)C)c1oc(cc1)COC	PC-id_42481550	494.649	UIJARWJGDONLCU-XMMPIXPASA-O	00000000101000110101000000000010000000000000000000000000	31-01-150768
s1c2c(CCCCC2)c(c1NC(=O)CCN1CCN(CC1)C(=O)CCc1ccc(OC)cc1)C#N	PC-id_56137100	494.649	WCRDWKHXDBZNMQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150769
C12=NC(=O)CCCN1N=C(SC(C)C(=O)Nc1sc3c(CCCCC3)c1C(=O)OCC)S2	EMOLS-id_13603717,PC-id_5067208,MCULE-5855349619	494.651	WFNFAPQRCMQYRA-UHFFFAOYSA-N	00000011100000000111000000000110000000000000000000000000	31-01-150771
c1(NC(=S)NNC(=O)c2cc3c(CCCCC3)s2)sc(c(C)c1C(=O)OC)C(=O)N(C)C	TIMTEC457095,MCULE-3651077576,GD-id_ZINC20294878,EMOLS-id_4169187,CoCoCo_6803548,PC-id_17370804	494.651	SRPXNRVULMXFNI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-150772
CCOC(=O)c1c(NC(=O)[C@H](SC2=NN3C(=NC(=O)CCC3)S2)C)sc2c1CCCCC2	CoCoCo_2667287,PC-id_92201606	494.651	WFNFAPQRCMQYRA-GFCCVEGCSA-N	00000011100000000111000000000110000000000000000000000000	31-01-150773
CCOC(=O)c1c(NC(=O)[C@@H](SC2=NN3C(=NC(=O)CCC3)S2)C)sc2c1CCCCC2	PC-id_92201607,CoCoCo_2667286	494.651	WFNFAPQRCMQYRA-LBPRGKRZSA-N	00000011100000000111000000000110000000000000000000000000	31-01-150774
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)C2CC2)nn1)C)C(=O)OCC	PC-id_23848002	494.651	CMRYZXNFXDZBMR-UHFFFAOYSA-N	00100000100000000101000000000010000000000000000000000000	31-01-150775
OCCC/C(=C(c1ccc(cc1)O)/C1=CC=c2c(=CC1)ccn2CCN1CCCCC1)/c1ccccc1	PC-id_145430016	494.667	JCBSSPXPZLYMTO-QOSDPKFLSA-N	00000000100010110110000000000010000000000000000000000000	31-01-150776
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1ccc(N)cc1)c1ccccc1)C(=O)OCC	PC-id_23099529	494.669	JWOROTWUHWBVJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150777
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(N)ccc1)c1ccccc1)C(=O)OCC	PC-id_18894631	494.669	APHLXSFJCOWPGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150778
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(OCc2ccccc2)cc1)C(=O)OCC	PC-id_19648782	494.669	PHIAOXRWYIKISS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150779
c1(NC(=O)CCCCC(=O)Nc2sc3c(CCCCC3)c2C#N)sc2c(CCCCC2)c1C#N	EMOLS-id_4169201,STOCK1S-64502,TIMTEC136294,CoCoCo_5820296,MCULE-5903892729,PC-id_4517479,ZINC22_9183433	494.672	DXUBJRMTEQRNLN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-150780
c1(NC(=O)CCC(=O)Nc2sc3c(CCCCCC3)c2C#N)sc2c(CCCCCC2)c1C#N	SPECS-id_AK-968/15253458,EMOLS-id_4169203,TIMTEC426750,ZINC22_8444260,MCULE-9515530163,PC-id_4143559,CoCoCo_5824464	494.672	RJVYDZBXOSMWNM-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-150781
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)C)C#N	PC-id_19641753	494.675	BIJNFSAKIKAFSC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150782
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)CC)C#N	PC-id_17262422	494.675	DDXKLZUHMHLXIX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150783
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)CC)C#N	PC-id_20128146	494.675	MHTPUXBEXHSVCX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150784
CC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1cnc(s1)C)F	PC-id_138671162	494.689	IDPFLAWXIGMQTQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150785
CC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1cnc(s1)C)F	SCHEMBL21041533	494.689	IDPFLAWXIGMQTQ-YGXOWLSWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150786
FCC(Oc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1cnc(s1)C)C	PC-id_138671874	494.689	LDNWJECLPPNKIT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150787
FCC(Oc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1cnc(s1)C)C	SCHEMBL21042298	494.689	LDNWJECLPPNKIT-YGXOWLSWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150788
[Si](OC1c2c(c(oc2)CC2(OCC(CO2)(C)C)C)CC(C(=O)CC1)C(=O)OC)(C(C)(C)C)(C)C	PC-id_72803537	494.693	VMRIHTWIAAYCTP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150789
[Si](O[C@@H]1c2c(c(oc2)CC2(OCC(CO2)(C)C)C)CC(C(=O)CC1)C(=O)OC)(C(C)(C)C)(C)C	PC-id_11329411	494.693	VMRIHTWIAAYCTP-ZYZRXSCRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150790
CC(C)(C)c1c2-c(ccccc2)c(c1)C(C)(c1ccc(cc1)C#C)c1cc(c2-c1ccccc2)C(C)(C)C	PC-id_134939758	494.708	YRGJIPQXIFHRBK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150791
CCOC(=O)C1=CCN(C(=O)c2c1cc(n2COCC[Si](C)(C)C)C)COCC[Si](C)(C)C	SCHEMBL8863607,PC-id_67711575	494.772	PSJBZHZMQHXNKP-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-150792
CCOC(=O)C1=CCN(C(=O)c2c1cc(n2COC([Si](C)(C)C)C)C)COC([Si](C)(C)C)C	SCHEMBL8863603,PC-id_67711574	494.772	HLZHYZRMLZRHBZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-150793
CCOC(=O)CC1=CCN(C(=O)c2c1ccn2COCC[Si](C)(C)C)COCC[Si](C)(C)C	SCHEMBL7848046,PC-id_22371242	494.772	NPHJHPDCMYWFOQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-150794
CCOC(=O)CC1=CCN(C(=O)c2c1ccn2COC([Si](C)(C)C)C)COC([Si](C)(C)C)C	PC-id_70206370,SCHEMBL7848047	494.772	JMPWNDDMCYBYGD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-150795
CCOC(=O)CC1=CCN(C(=O)c2c1ccn2C([Si](C)(C)C)OCC)C([Si](C)(C)C)OCC	PC-id_19960781,SCHEMBL7848045	494.772	OMSLUKOBBDXSBM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-150796
COC(=O)CCC(=O)[As]Cc1c(cc(cc1)C(=O)N1CCCCc2c1ccs2)Cl	PC-id_88021397	494.843	LEIVVAOLGLQZRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150797
Clc1ccc(cc1)CCN1CCC(CC1)C(=[N+]1CCCc2c(C1=N)cc(s2)Br)N	PC-id_141859753	494.899	XDSCAJZLZUIJLJ-UHFFFAOYSA-O	00000000100010110100000000000010000000000000000000000000	31-01-150798
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1ccccc1OC(F)(F)F	PC-id_141594232	494.914	HPTZHAZLFKUQFT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150799
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2c(OC(F)(F)F)cccc2)c1	PC-id_57169375	494.914	RGMQHLYUILXEFM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150800
Clc1c(c2oc(C[NH+]3CCn4c(nnc4CNC(=O)Cc4cc(F)ccc4)CC3)cc2)cccc1	PC-id_42377655	494.968	SVWAIXRUKKAVMK-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-150801
Clc1cc(c2oc(C[NH+]3CCn4c(nnc4CNC(=O)Cc4cc(F)ccc4)CC3)cc2)ccc1	PC-id_42373226	494.968	MAWVZWQZCZNJDP-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-150802
Clc1ccc(c2oc(C[NH+]3CCn4c(nnc4CNC(=O)Cc4cc(F)ccc4)CC3)cc2)cc1	PC-id_42328334	494.968	YBWPZLKSBDTDLG-UHFFFAOYSA-O	00000000101000110101100000000010000000000000000000000000	31-01-150803
Clc1ccc(Oc2cccc(CN3CCc4nnc(CNC(=O)C5CCC(=O)N5)n4CC3)c2)cc1	MCULE-1983232525,PC-id_45204512,EMOLS-id_20548273	494.973	IDQLONHMXIGOOC-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150804
O=C1CC[C@@H](C(=O)NCc2nnc3n2CCN(Cc2cccc(Oc4ccc(Cl)cc4)c2)CC3)N1	CoCoCo_1340984,ZINC22_20994476,CoCoCo_1340983,PC-id_29255089	494.973	IDQLONHMXIGOOC-NRFANRHFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150805
O=C1CC[C@H](C(=O)NCc2nnc3n2CCN(Cc2cccc(Oc4ccc(Cl)cc4)c2)CC3)N1	PC-id_29255091,CoCoCo_1340985,CoCoCo_1340986,ZINC22_20994479	494.973	IDQLONHMXIGOOC-OAQYLSRUSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150806
CC=C(C=CC(=C)C1CCC(=C)CCn2c1nc(n2)Nc1cc(c(cc1)n1cc(nc1)Cl)OC)F	PC-id_91362709	494.992	XGPITPSRUBCVHV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150807
CC(Cn1ccc2c1ccc(c2)CNC(=O)OCCCCn1cnc2c1C(=C)C=C(N=C2N)Cl)C	SCHEMBL19575586	495.016	RXHWRDQZWNKKOK-UHFFFAOYSA-N	00000000100000100111000001100010000000000000000000000000	31-01-150808
CCOC(=CC)C=CC(=C)C1CCCCn2c1nc(n2)Nc1cc(c(cc1)n1cc(nc1)Cl)OC	PC-id_91372543	495.016	VACXBRNRJPHBFW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150809
CC(C)c1ccc2-c(c(cc2S(=O)(=O)[O-])CCCCNS(=O)(=O)c2ccc(cc2)Cl)cc1	BindingDB_PC-id_91928861,PC-id_91928861,GLL_PC-id_131116,GD-id_ZINC01548168	495.031	ONMQCKPUEFDWIX-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-150810
CC(C)c1ccc2-c(c(cc2S(=O)(=O)[O-])CCCCS(=O)(=O)Nc2ccc(cc2)Cl)cc1	PC-id_91934738,BindingDB_PC-id_91934738,GD-id_ZINC29411080	495.031	SIVYMNIEVODPNT-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-150811
Clc1ccc(S(=O)(=O)NCCCCc2c3-c(c(OS(=O)[O-])c2)ccc(cc3)CCC)cc1	PC-id_69759235	495.031	ZNAUDLRSBNULOO-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-150812
Clc1ccc(SCCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_41272476	495.054	GZMYJCYBYMSKNP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150813
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CNC(=O)C)cc1	PC-id_72246290	495.058	CUNFBWJSMACPOP-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-150814
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)C(N)C(=O)C)cc1	SCHEMBL3310188,PC-id_68591084	495.058	UUZUDXFTIJMIGX-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-150815
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)C(=O)N(C)C)cc1	PC-id_72246297	495.058	HKWWHLAQAVTYHE-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-150816
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CNC(=O)C)cc1	PC-id_59285218,SCHEMBL3310191	495.058	CUNFBWJSMACPOP-CVEARBPZSA-N	00000010100100000100000000000010000000000000000000000000	31-01-150817
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)C(=O)N(C)C)cc1	PC-id_59285234,SCHEMBL13394956	495.058	HKWWHLAQAVTYHE-CABCVRRESA-N	00000010100100000100000000000010000000000000000000000000	31-01-150818
CC1COc2c(OC1)c(n(c2I)Cc1ccccc1)I	SCHEMBL13528333,PC-id_70928425	495.094	GNGKWSLEXWPDNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150819
CC1=C2C(=C(N1)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N)OC)CCCCC2=O	PC-id_153617022	495.146	WIECUMAEJMEQON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150820
CC([C@H]1CCC2=C(N(C=C2S(=N)(=O)N1)C)C(=O)NC3=CC(=C(C=C3)F)C#N)OCC4=CC=CC=C4	PC-id_154991270	495.174	HTCLUAXDFLGTSN-ZRXXBUOJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150821
CC1=C(C=CC=N1)C(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_162170993	495.217	ZNUBCKWREHLYHS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-150822
CCC1C=C(C2=C(NN=C2N=C1)CC3=C(C=CC(=C3)CCCC(=O)C4=NC(=CC=C4)C(F)(F)F)C)N	PC-id_146687343	495.225	PTAKNLNRKMQPMS-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-150823
CC1=CN=C(O1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F	PC-id_160703657	495.237	WCPYNKIGKHLJQA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150824
CC1=NOC(=C1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F	PC-id_160147410	495.237	WOAXOVRHLQVAIR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150825
CC1=NC2=C(O1)C(CN(C=C2C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4)(C)C	PC-id_161503673	495.273	RZWPNYMUZRFPDS-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-150826
CC1=NOC2=C1C(CN(C=C2C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4)(C)C	PC-id_160132855	495.273	FSAYLHCRGTTYKC-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-150827
OC(=O)c1c(scc1c1ccc(c(c1F)F)Br)NC(=O)c1nc2c(o1)CCCC=C2	PC-id_143954380	495.294	JSUWZBQZCDITPM-UHFFFAOYSA-N	00000000100100110111100000000010000000000000000000000000	31-01-150828
CC1=CC(=C(C(=O)N1)CN2CCCC3=C(C2)C(=C(S3)[C@H](C)C4CCN(CC4)CC5(CCC5)C)C)C	PC-id_153715160	495.328	JKTOYZYLVWGCKD-JOCHJYFZSA-N	00001000100010101100000000000010000000000000000000000000	31-01-150829
Ic1ccc(c2nc(sc2)NC(=O)Cn2nc3n(CCCCC3)c2=O)cc1	PC-id_30840667	495.337	PTUSHSZMUCHICO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150830
C1CC(CN(C1)C(=O)c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)Cl)C(=O)O	SCHEMBL16100397,PC-id_90461040	495.356	LSLGDBALHXGHJU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150831
C1CN(Cc2cc(nn2C1)C(=O)N1CCC(CC1)C(=O)O)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16099992,PC-id_86345596	495.356	LZOYKCGHBHOXRJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150832
COc1cc(ccc1OCc1ccc(cc1)Br)C(=O)C(c1nnc2n1CCCCC2)C#N	PC-id_112844374	495.368	BMKXYGFAUJIZQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150833
CCOC(=O)c1nn2c(c1)CN(CC(C2)O)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_117616686,SCHEMBL16129888	495.372	SEBMMCBRWBFBIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150834
OC(=O)C1CCN(CC1)C(c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl)C	PC-id_117616533,SCHEMBL16129721	495.399	HOWKBCKTUCJUHQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150835
c1(NC(=S)NC(=O)c2ccccc2I)sc2c(CCCCCC2)c1C#N	PC-id_1933041,EMOLS-id_4457165,MCULE-4767055558,ZINC22_2316447,STOCK2S-75454,CoCoCo_1740194,GD-id_ZINC02316447,TIMTEC215402	495.4	IIEDDALCLLPIFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150836
OB([C@@H](NC(=O)[C@@H]1CCCCCCCCCCCC(=O)c2[nH]c(C(=O)N1)cc2)Cc1ccccc1)O	SCHEMBL15739746,PC-id_75204471	495.419	TVLGYZCUTRLGRY-DHLKQENFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150837
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1cccnc1)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_1046733,EMOLS-id_6771354,ZINC22_721280,CoCoCo_1954408,MCULE-2778108826,TIMTEC581216	495.439	YUCJLWRFTZJYIK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-150838
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccncc1)Nc1sc2c(CCCCC2)c1C(=O)OC	ZINC22_721283,STOCK1S-89566,CoCoCo_1954410,PC-id_571583,SPECS-id_AG-389/14050040,EMOLS-id_4414697,MCULE-5265996820	495.439	HPVGIGUZMWKFIY-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-150839
CCOC(=O)C(C1CCCCc2c1n(Cc1ccc(c(c1)Cl)Cl)c(n2)C(C)C)C(=O)OCC	PC-id_68219121,SCHEMBL12225715	495.439	MFYCEBAFDPLXJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150840
Clc1ccc(cc1)NC(=O)c1c(sc2c1CCCCC2)NS(=O)(=O)c1ccc(cc1)Cl	SCHEMBL4147821,PC-id_11540515	495.442	SJANHCANGYHSTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150841
Fc1ccc(c(c1)C(=O)NC(c1nnc2n1CCN(CC2)Cc1ccc(cc1)OC(F)(F)F)C)F	PC-id_45166296,ChEMBL-DNDi_CHEMBL26516716	495.445	BGSFKGHKVJZFJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150842
Fc1c(C(=O)N[C@@H](c2n3CCN(CCc3nn2)Cc2ccc(OC(F)(F)F)cc2)C)cc(F)cc1	PC-id_42340909	495.445	BGSFKGHKVJZFJF-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150843
Fc1c(C(=O)N[C@H](c2n3CCN(CCc3nn2)Cc2ccc(OC(F)(F)F)cc2)C)cc(F)cc1	PC-id_42340911	495.445	BGSFKGHKVJZFJF-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150844
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(Br)cc3)sc3c2CCCCCC3)c1	ZINC22_409011910	495.474	GTRBFRZKPXCEPP-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-150845
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(Br)cc3)sc3c2CCCCCC3)c1	ZINC22_409016679	495.474	RFLCIJMASBURAK-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-150846
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cccc(Br)c3)sc3c2CCCCCC3)c1	ZINC22_408971931	495.474	MEPGJYNJNBXGJJ-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-150847
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(Br)cc3)sc3c2CCCCCC3)c1C	ZINC22_409019350	495.474	WJJZNKUYFYHKPM-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-150848
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(Br)cc3)sc3c2CCCCCC3)cc1C	ZINC22_409012864	495.474	JAMRCIDPFNWUGN-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-150849
Brc1cc(c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1)CC	PC-id_19687759	495.496	IQDORCWWQICBAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150850
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)c1cc(c(cc1)C(=O)N1CCOCC1)F)[N+](=O)[O-]	PC-id_89580386,SCHEMBL14966081	495.503	UBIBRKRCRVKYNA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-150851
CNCCc1c2=C(Cl)CC=C(C=c2n(c1CCC)CC(=O)Nc1scc(n1)C(C)(C)C)Cl	PC-id_142130756	495.508	NYHDVTXCRNHXJO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-150852
COC(=O)c1c(NC(=O)CCc2c(C)nc3n(c2C)nc(n3)C(F)(F)F)sc2c1CCCCC2	PC-id_112831067	495.518	OMKAFACEQMGPNO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-150853
COc1ccc(cc1)/C=C(/C(=O)Oc1ccc(cc1OC)/C=C(c1nnc2n1CCCCC2)/C#N)C#N	CoCoCo_3735093,CoCoCo_3735092	495.529	UOFOOHOYIPFJIX-JFJYUCGMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150854
COc1ccc(cc1)/C=C(C(=O)Oc1ccc(cc1OC)/C=C(/c1nnc2n1CCCCC2)C#N)/C#N	CoCoCo_3735094	495.529	UOFOOHOYIPFJIX-JDOZLOAYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150855
COc1ccc(cc1)/C=C(C(=O)Oc1ccc(cc1OC)/C=C(c1nnc2n1CCCCC2)/C#N)/C#N	CoCoCo_3735095	495.529	UOFOOHOYIPFJIX-URBBLPHHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150856
COc1ccc(cc1)C=C(C(=O)Oc1ccc(cc1OC)C=C(c1nnc2n1CCCCC2)C#N)C#N	MCULE-8805822249,PC-id_4360919,EMOLS-id_301018113	495.529	UOFOOHOYIPFJIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150857
O(c1cc(/C=C(/c2n3CCCCCc3nn2)C#N)ccc1OC(=O)/C(=C/c1ccc(OC)cc1)/C#N)C	PC-id_6079736	495.529	UOFOOHOYIPFJIX-ALCUREISSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150858
O(c1cc(/C=C(c2n3CCCCCc3nn2)/C#N)ccc1OC(=O)C(=Cc1ccc(OC)cc1)C#N)C	PC-id_75408746	495.529	UOFOOHOYIPFJIX-PLZOEVMBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150859
Fc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)/C(=O)Nc2cc1NC(=O)CO	SCHEMBL3135804,PC-id_25115145	495.546	IBJTXUSHBBDAJL-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-150860
Fc1cc2C(=Cc3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)C(=O)Nc2cc1NC(=O)CO	SCHEMBL3135811,PC-id_68524704	495.546	IBJTXUSHBBDAJL-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-150861
COC(=O)c1c(NC(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)sc2c1CCCCC2	CoCoCo_3120414,PC-id_16275356,EMOLS-id_43785527,ZINC22_8882959,MCULE-1244069524	495.547	BDXLREGHJLAGKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150862
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1cc2c(C(=O)N(CCCOC)C2=O)cc1)C#N	PC-id_41178769	495.547	TZOGBILWTNIHAD-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-150863
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc2n(CCCCC2)c1=O)c1c(c(oc1C)C)C(=O)OC	PC-id_55692077	495.549	AJCXJNYMQNDDNY-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-150864
O=C(CC1CC1(F)F)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670762	495.55	UFTLHIRPFNGGNV-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-150865
O=C(CC1CC1(F)F)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041109	495.55	UFTLHIRPFNGGNV-CMTYHBQSSA-N	00100000100010000101000000000010000000000000000000000000	31-01-150866
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1cnc(cc1)NCc1c(nc(cc1)OC)OC	SCHEMBL1770538,PC-id_87289811	495.551	DONPYGKKIKIFNH-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-150867
COC(=O)c1c(NC(=O)COC(=O)/C(=Cc2ccccc2)/n2nnnc2C)sc2c1CCCCC2	CoCoCo_3145335	495.551	RBRWQUCQBMUWNH-QGOAFFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-150868
COC(=O)c1c(NC(=O)COC(=O)C(=Cc2ccccc2)n2nnnc2C)sc2c1CCCCC2	PC-id_72091559,MCULE-7089366885,EMOLS-id_26053968	495.551	RBRWQUCQBMUWNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150869
COC(=O)c1c(NC(=O)COC(=O)/C(=C/c2ccccc2)/n2nnnc2C)sc2c1CCCCC2	ZINC22_9633880,CoCoCo_3145334,PC-id_16265373	495.551	RBRWQUCQBMUWNH-AQTBWJFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-150870
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_22199155	495.558	JHOZLOVVNYVMAW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-150871
CC(C[C@H](c1nnc2n1CCN(CC2)C(=O)Cc1cccc(c1)C(F)(F)F)NC(=O)C[NH+](C)C)C	GD-id_ZINC14879100,PC-id_26274910	495.561	APXGRZWDFAAGGY-LJQANCHMSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150872
FC(F)(F)c1cc(CC(=O)N2CCn3c(nnc3CC2)[C@@H](NC(=O)C[NH+](C)C)CC(C)C)ccc1	PC-id_26274912	495.561	APXGRZWDFAAGGY-IBGZPJMESA-O	00000000100000110101000000000010000000000000000000000000	31-01-150873
FC(F)(F)c1cc(CC(=O)N2CCn3c(nnc3CC2)C(NC(=O)C[NH+](C)C)CC(C)C)ccc1	PC-id_85455038	495.561	APXGRZWDFAAGGY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150874
C1CN(CCC1(F)F)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CCOc1ccccc1	PC-id_134804896	495.564	QZVVWOZBIJBDNZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150875
Fc1ccc(c(c1)C(=O)N[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1cnc(s1)c1ccccc1)C)F	GD-id_ZINC11975272	495.567	BVEYPAWZLWFWNM-MRXNPFEDSA-O	00000000100000110101100000000010000000000000000000000000	31-01-150876
Fc1ccc(c(c1)C(=O)N[C@H](c1nnc2n1CC[N@H+](CC2)Cc1cnc(s1)c1ccccc1)C)F	GD-id_ZINC11975278	495.567	BVEYPAWZLWFWNM-INIZCTEOSA-O	00000000100000110101100000000010000000000000000000000000	31-01-150877
OCC(c1ccc2-c(cc1)c(cc2CCCCN(S(=O)(=O)c1ccccc1)F)S(=O)(=O)O)C	PC-id_139605636	495.584	AREBSOHUSWUAGN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150895
COc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c(OC)c1OC	MCULE-8298968509,EMOLS-id_20495017,ZINC22_20599781,CoCoCo_1264092,CoCoCo_1264091,PC-id_29086525	495.571	RSGKTZULRBVUNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150878
COc1ccc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1OC	PC-id_45169085,EMOLS-id_20394178,ChEMBL-DNDi_CHEMBL10854520,MCULE-3078769726	495.571	BBVBHLHKHVFYII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150879
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1OC	CoCoCo_1124064,ZINC22_11880894,CoCoCo_1124063,PC-id_42246745	495.571	BBVBHLHKHVFYII-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150880
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1OC	CoCoCo_1124066,PC-id_42246747,CoCoCo_1124065,ZINC22_11880895	495.571	BBVBHLHKHVFYII-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150881
COc1cc(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)cc(OC)c1OC	PC-id_45178375,EMOLS-id_20434355,ChEMBL-DNDi_CHEMBL16536854,MCULE-3319768207	495.571	YSLZGMDWCZQRDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150882
COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc(OC)c1OC	CoCoCo_1178634,PC-id_42372216,ZINC22_12041281,CoCoCo_1178633	495.571	YSLZGMDWCZQRDM-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150883
COc1cc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc(OC)c1OC	ZINC22_12041286,CoCoCo_1178635,CoCoCo_1178636,PC-id_42372220	495.571	YSLZGMDWCZQRDM-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150884
COc1cc(OC)c(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c(OC)c1	CoCoCo_1187431,ZINC22_19839784,PC-id_28393778,CoCoCo_1187430,MCULE-1189095850,EMOLS-id_20440575	495.571	UJHJNRCUJIPHAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150885
COc1cc(OC)c(CN2CCc3nnc(C(C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1	EMOLS-id_20428383,MCULE-1307656494,PC-id_45176997	495.571	MMZKYCPNZGYXHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150886
COc1cc(OC)c(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1	CoCoCo_1170351,CoCoCo_1170352,PC-id_42168989,ZINC22_11788449	495.571	MMZKYCPNZGYXHU-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150887
COc1cc(OC)c(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1	ZINC22_11788448,CoCoCo_1170350,CoCoCo_1170349,PC-id_42168987	495.571	MMZKYCPNZGYXHU-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150888
COc1cc(OC)c(OC)cc1CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1	CoCoCo_1325366,PC-id_29215353,EMOLS-id_20537397,ZINC22_20912816,MCULE-2171117654,CoCoCo_1325367	495.571	DTRILZBXRCSDSL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150889
O(C(=O)C1CCCN(C1)C(=O)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)CC	PC-id_46049693	495.571	ZMJJRZAWGYUQTD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150890
O(C(=O)C1CCN(CC1)C(=O)CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)CC	PC-id_46049691	495.571	QGCIMLBRRHSALM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150891
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNCc1cc2c(cc1)OCO2)Cc1ccccc1	PC-id_134808695	495.572	CIMBOEIHFHTHKF-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-150892
Cc1ccc(c2ccc(C(=O)N3CCc4nnc(CNC(=O)COc5ccccc5)n4CC3)cc2)cc1	MCULE-4674044272,CoCoCo_1510870,ZINC22_12279930,EMOLS-id_20661045,PC-id_42500048	495.572	OORIDKYTDAUURV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150893
Fc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(O)(C)C)S(=O)(=O)O	PC-id_139605611	495.584	OPCOVBFEVXCQQE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150894
CCOC(=O)O[C@H]1C2CCC([C@H]1NC(=O)/C=C/c1nn(c3c1CCCCC3)Cc1ccc(cc1)F)C2	PC-id_66647445,SCHEMBL300341	495.586	JYTXUYIHEUIHOY-APSNQBAOSA-N	00000010100010110101000000000110000000000000000000000000	31-01-150896
Fc1ccc(Cn2nc(C=CC(=O)NC3C4CC(C3OC(=O)OCC)CC4)c3c2CCCCC3)cc1	PC-id_77157876	495.586	JYTXUYIHEUIHOY-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-150897
FCCn1cnc2c1cccc2C(=O)N(C1CCCc2c(C1)cn(n2)C(=O)OC(C)(C)C)C1CCC1	SCHEMBL19048599	495.589	SALDXNIRVQWSQM-UHFFFAOYSA-N	00001000100000100101000001000010000000000000000000000000	31-01-150898
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(c2[nH]c(c(n2)C)C)cc1)C)C(=O)OC	PC-id_23831921	495.591	LTCIAWSNRJXIPR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150899
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(c2[nH]c(c(n2)C)C)cc1)C(=O)OCC	PC-id_24082490	495.591	QFJGUPWBCHZWQS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150900
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(cc1)c1[nH]ccn1)CC)C(=O)OCC	PC-id_24027914	495.591	LEAYDTYAFILPTI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150901
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1ccc(c2[nH]c(c(n2)C)C)cc1)C(=O)OC	PC-id_23971690	495.591	FKHYXKKWUWEXJE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150902
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(cc1)c1[nH]ccn1)CC)C(=O)OC	PC-id_24083139	495.591	UJPHAMKPTZEICU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150903
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(cc1)c1[nH]ccn1)C)C(=O)OCC	PC-id_23774003	495.591	ABIWUXJEGJPJSS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150904
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1sccc1)C(=O)OCC	PC-id_4109038	495.592	WOJSDQDLRDJRPZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-150905
COc1ccc2[nH]cc(CCN3C(=O)NC(CCC(=O)Nc4nc5CCCCCc5s4)C3=O)c2c1	EMOLS-id_323474307,MCULE-2486685446	495.594	MSYQSXDHDVFUHS-UHFFFAOYSA-N	00000010100000100101000001100010000000000000000000000000	31-01-150906
COc1ccc(NC(=O)CSc2ccccc2C(=O)NCc2nnc3n2CCCCC3)cc1OC	PC-id_24646618,ZINC22_12738836,EMOLS-id_18821099,CoCoCo_3865682,MCULE-2614776467	495.594	WONWEZDZTUKPJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150907
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ncccc3)C(C)C)CC2)c(OC)cc(OC)c1)C	PC-id_42367599	495.594	FUHPRZWZCPFJQN-DEOSSOPVSA-O	00000000100000111101000000000010000000000000000000000000	31-01-150908
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3ncccc3)C(C)C)CC2)c(OC)cc(OC)c1)C	PC-id_42367604	495.594	FUHPRZWZCPFJQN-XMMPIXPASA-O	00000000100000111101000000000010000000000000000000000000	31-01-150909
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3ncccc3)C(C)C)CC2)c(OC)cc(OC)c1)C	PC-id_74799790	495.594	FUHPRZWZCPFJQN-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-150910
OC(=O)CCCOc1ccccc1NC(=O)c1cc(c2-c1ccccc2)Cc1ccc(cc1)CC(C)C	PC-id_139818341	495.609	PFANDMZKLJCREV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-150911
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1c(onc1C)C	PC-id_55762729	495.612	XERZHMABFFOCJI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150912
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1c(onc1C)C	PC-id_55762792	495.612	ABAXEKCHROFKAV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150913
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2CCCCCCc2n1)c1oc(cc1)C(=O)OCC	PC-id_56021473	495.612	WVLALHSQCSILJJ-UHFFFAOYSA-N	00000000101010000101000000000010000000000000000000000000	31-01-150914
C1(c2cccc(OC)c2)(CC(=O)N(C)Cc2c3CCCCCc3[nH]n2)CC(=O)N(CCN(C)C)C1=O	PC-id_45171092,MCULE-6265312865,EMOLS-id_20402956	495.614	DYUVHNWPDKHPCW-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-150915
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3ccccc3OCC)CCn12	PC-id_45222608,EMOLS-id_20625455,MCULE-7060481067	495.614	VWOOMKOIUFUFAO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150916
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3ccc(c(C)c3)OC)CCn12	MCULE-1849880865,PC-id_45200815,EMOLS-id_20532123	495.614	MUOLEQQIFVSWSI-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150917
C1CN(CCC1C)C(=O)CCN(CCOC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	MCULE-6058396820,PC-id_46049629,EMOLS-id_25387536	495.614	XEARESSOYCJEER-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150918
CC[C@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NC[C@@H]1CCCO1)C	PC-id_93332102	495.614	SKAKYIHNBJLOSJ-IRLDBZIGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150919
CC[C@@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NC[C@@H]1CCCO1)C	PC-id_93332103	495.614	SKAKYIHNBJLOSJ-UNMCSNQZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150920
CC[C@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NC[C@H]1CCCO1)C	PC-id_93332104	495.614	SKAKYIHNBJLOSJ-IFMALSPDSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150921
CC[C@@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NC[C@H]1CCCO1)C	PC-id_93332105	495.614	SKAKYIHNBJLOSJ-RBBKRZOGSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150922
CCC(N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NCC1CCCO1)C	MCULE-8992430656,EMOLS-id_25387114,PC-id_46049652	495.614	SKAKYIHNBJLOSJ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150923
CC(NC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19702832	495.614	SLBJAPWHLUQDFY-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-150924
CCOc1ccccc1CN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1	PC-id_26325897,ZINC22_14966568,CoCoCo_1456237,CoCoCo_1456236	495.614	VWOOMKOIUFUFAO-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150925
CCOc1ccccc1CN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1	ZINC22_14966572,PC-id_26325901,CoCoCo_1456239,CoCoCo_1456238	495.614	VWOOMKOIUFUFAO-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150926
COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	ZINC22_3264684,MCULE-7858655207,EMOLS-id_3060042,CoCoCo_3779102,PC-id_2381236	495.614	BFOGBTBHWQPQFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150927
COc1cccc([C@]2(CC(=O)N(C)Cc3n[nH]c4c3CCCCC4)CC(=O)N(CCN(C)C)C2=O)c1	CoCoCo_1135680,PC-id_42324452,ZINC22_11973173,CoCoCo_1135682	495.614	DYUVHNWPDKHPCW-MHZLTWQESA-N	00000010100000110101100000000010000000000000000000000000	31-01-150928
COc1cccc([C@@]2(CC(=O)N(C)Cc3n[nH]c4c3CCCCC4)CC(=O)N(CCN(C)C)C2=O)c1	CoCoCo_1135681,PC-id_42324443,ZINC22_11973163,CoCoCo_1135679	495.614	DYUVHNWPDKHPCW-HHHXNRCGSA-N	00000010100000110101100000000010000000000000000000000000	31-01-150929
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(OC)c(C)c2)CC3)o1	PC-id_29211963,ZINC22_20908910,CoCoCo_1317636,CoCoCo_1317635	495.614	MUOLEQQIFVSWSI-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150930
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(OC)c(C)c2)CC3)o1	ZINC22_20908907,CoCoCo_1317638,CoCoCo_1317637,PC-id_29211960	495.614	MUOLEQQIFVSWSI-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-150931
N#Cc1nc2oc1N(CCCC[C@@H](C(=O)N[C@H]2C(C)(C)C)NC(=O)[C@H](C(C)C)O)Cc1ccccc1	PC-id_146048390	495.614	IQVQBUOCJWALBF-ILWGZMRPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150932
O1C(CCC1)CNC(=O)CCN(CC(C)C)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049610	495.614	MNSQYBRTHALZJT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-150933
O=C(c1ccc(cc1)S(=O)(=O)N1CCc2c1cccc2)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_3373136,GD-id_ZINC04177350,CoCoCo_5015405	495.614	MNBZVHJVVIBDPI-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-150934
O=C(NC1CCCCC1)C(CCCCn1c2NC=NCC(O)c2nc1)(C)C(=O)OCc1ccccc1	PC-id_10529259	495.614	VUGLIJKLZIRUEJ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-150935
O=C(NC1CCCCC1)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)CCOC	PC-id_46049939	495.614	BQAQWXQSUIUMQE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150936
s1c2CCCCCc2c(c1NC(=O)COC(=O)Cc1nc(sc1)COc1ccc(cc1)C)C#N	PC-id_26989230	495.614	HDLNQNDEJWJJOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150937
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(c2c([N+](=O)[O-])cccc2)cc1)C(=O)OCC	PC-id_20166887	495.614	NXKJADNSAACOAM-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-150938
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(c2c([N+](=O)[O-])cccc2)cc1)C(=O)OC	PC-id_20166880	495.614	OBAKKPUPLMZMMW-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-150939
s1c(NC(=O)[C@@H]([NH+]2CCC(CC2)C(=O)Nc2cc3OCOc3cc2)C)c(c2c1CCCCC2)C#N	PC-id_41131179	495.614	DNQYHKUVZKQISR-INIZCTEOSA-O	00000010100010100101000000001010000000000000000000000000	31-01-150940
s1c(NC(=O)[C@H]([NH+]2CCC(CC2)C(=O)Nc2cc3OCOc3cc2)C)c(c2c1CCCCC2)C#N	PC-id_41131182	495.614	DNQYHKUVZKQISR-MRXNPFEDSA-O	00000010100010100101000000001010000000000000000000000000	31-01-150941
s1c(NC(=O)C([NH+]2CCC(CC2)C(=O)Nc2cc3OCOc3cc2)C)c(c2c1CCCCC2)C#N	PC-id_74748407	495.614	DNQYHKUVZKQISR-UHFFFAOYSA-O	00000010100010100101000000001010000000000000000000000000	31-01-150942
c1(C(C)NC(=O)c2ccccc2C)nnc2CCN(Cc3ccc(cc3)OCc3ccccc3)CCn12	ChEMBL-DNDi_CHEMBL16102179,MCULE-9720262065,PC-id_45177728,EMOLS-id_20431607	495.615	SZHXOPXNTHGDJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150943
c1(C(C)NC(=O)c2cccc(OC)c2)nnc2CCN(Cc3ccc(cc3)c3ccccc3C)CCn12	EMOLS-id_20573075,PC-id_45210242,MCULE-8945069938	495.615	GAZAHHXATXKEKC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150944
Cc1c(cc(cc1)C(=O)N1CCCN(CC1)/C(=C/C=C)/C=CN)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478307	495.615	ZSGREQGOXOZYLD-ZFHRJZJRSA-N	00000010100000110111000000000010000000000000000000000000	31-01-150945
Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2	PC-id_42368303,ZINC22_12037123,CoCoCo_1174823,CoCoCo_1174822	495.615	SZHXOPXNTHGDJC-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150946
Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1)CC2	PC-id_42368306,CoCoCo_1174824,CoCoCo_1174825,ZINC22_12037125	495.615	SZHXOPXNTHGDJC-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150947
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc2n1CCCCC2	ZINC22_13128266,EMOLS-id_11773147,CoCoCo_4054339,MCULE-8632387356,PC-id_16333911	495.615	JXJSZDJBSDGGIH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-150948
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3ccc(cc3)c3ccccc3C)CCn12	CoCoCo_1264777,ZINC22_20599859,MCULE-3673649547,PC-id_29086637,EMOLS-id_20495547,ChEMBL-DNDi_CHEMBL26974902,CoCoCo_1264776	495.615	IKSVFUXMAUFZLJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150949
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(Cc3cccc(c3)c3ccccc3C)CCn12	PC-id_29258960,CoCoCo_1359781,ZINC22_20999608,EMOLS-id_20560925,CoCoCo_1359782,MCULE-9880682532	495.615	VAYWNEFDJCLQJT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150950
COc1ccc(cc1)C(=O)NCCc1nnc2CCN(CC(c3ccccc3)c3ccccc3)CCn12	CoCoCo_1141633,ZINC22_12055174,MCULE-2425872762,PC-id_42381628,CoCoCo_1141634,EMOLS-id_20407440,ChEMBL-DNDi_CHEMBL12639381	495.615	KOMHNLWPERBZNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150951
COc1cccc(c1)C(=O)N[C@@H](c1nnc2n1CCN(CC2)Cc1cccc(c1)c1ccccc1C)C	CoCoCo_1197288,CoCoCo_1197287	495.615	XAPAOBJTSGPCDR-JOCHJYFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150952
COc1cccc(c1)C(=O)N[C@H](c1nnc2n1CCN(CC2)Cc1cccc(c1)c1ccccc1C)C	CoCoCo_1197289,CoCoCo_1197290	495.615	XAPAOBJTSGPCDR-QFIPXVFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150953
COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccc(c4ccccc4C)cc2)CC3)c1	CoCoCo_1377950,CoCoCo_1377951,PC-id_26345296,ZINC22_14990539	495.615	GAZAHHXATXKEKC-JOCHJYFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150954
COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccc(c4ccccc4C)cc2)CC3)c1	PC-id_26345291,CoCoCo_1377952,ZINC22_14990536,CoCoCo_1377953	495.615	GAZAHHXATXKEKC-QFIPXVFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150955
N/C=CC(=C/C=C)N1CCCN(CC1)C(=O)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13077145	495.615	ZSGREQGOXOZYLD-PFYNRCPBSA-N	00000010100000110111000000000010000000000000000000000000	31-01-150956
O=C(NC(c1n2CCN(CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C)c1cc(OC)ccc1	PC-id_45181454	495.615	XAPAOBJTSGPCDR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150957
COc1ccccc1n1c(N)cc(=O)nc1SCC(=O)Nc1sc2c(c1C#N)CCCCCC2	CoCoCo_6295365,MCULE-2273614133,TIMTEC207064,PC-id_16473491,EMOLS-id_6108664,ZINC22_10059433	495.617	HYZJNJDAIJUWLS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150958
N#Cc1c(NC(=O)CSc2nc(N)cc(=O)n2c2ccccc2OC)sc2c1CCCCCC2	MCULE-2795653057,PC-id_4111403	495.617	ZWPLKOOKMYTFEU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150959
CCCC1CC=C(C=C1)NC(=O)c1cc(OC(C)C)cc(c1)Oc1nc2c(s1)C(=O)N(CCC2)C	PC-id_143391725	495.634	UGRPVIHHFDKVBO-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-150960
CCOCc1ccccc1c1cccc(c1S(=O)(=O)N)Cn1c(CCC)nc2c1C(=O)CCCC2	PC-id_139962293	495.634	CPQASGQQXDCMDS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150961
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(cccc1)/C=C(C(=O)OCC)/C#N	PC-id_30377263	495.634	IIMDIGISKGKGDE-FXBPSFAMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150962
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(cccc1)C=C(C(=O)OCC)C#N	PC-id_85463196	495.634	IIMDIGISKGKGDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150963
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3c3ccccc3)cc2)c2ccsc12	CHEMBL368791,BindingDB_PC-id_11167861,PC-id_11167861	495.635	WILNJBJZWIOTDZ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-150964
O=C(c1ccccc1c1ccc(cc1)N(C)C)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	GLL_PC-id_44213834,PC-id_44213834	495.635	VUMSLSNCFFHLLI-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-150965
s1c2c(CCCCC2)c(c1NC(=S)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OC	PC-id_23766305	495.635	ZFELWCKCNSJTML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-150966
Cc1cc(C)c(c(c1)C)S(=O)(=O)Nc1cc(ccc1C)C(=O)NCCc1nnc2n1CCCCC2	PC-id_99183180	495.637	GXIMFGVPPDROEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150967
O=C(CCc1c([O-])nc(nc1C)SCc1ccccc1)NNC(=O)c1cc2c(s1)CCCCC2	GD-id_ZINC29927598	495.637	FXVBYBSTHFTVKV-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-150968
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N(C)C)cc1)CC(C)C)c1oc(cc1)COC	PC-id_74787398	495.637	OCBJALRYQCGMCB-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-150969
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(C)C)cc1)CC(C)C)c1oc(cc1)COC	PC-id_42277163	495.637	OCBJALRYQCGMCB-QHCPKHFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-150970
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(C)C)cc1)CC(C)C)c1oc(cc1)COC	PC-id_42277165	495.637	OCBJALRYQCGMCB-HSZRJFAPSA-O	00000000101000110101000000000010000000000000000000000000	31-01-150971
s1c2CCCCCc2c(c1NC(=O)CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C)C#N	PC-id_55354422	495.637	XVGGYNGJEKTROP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-150972
s1c2CCCCCc2c(c1NC(=O)C(N(CC(=O)Nc1ccc(N2CCOCC2)cc1)C)C)C#N	PC-id_55430631	495.637	MMDPNGMELXSBKY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-150973
S(=O)(=O)(Nc1ccc(CCCC)cc1)c1cc(C(=O)NCCc2n3CCCCCc3nn2)ccc1	PC-id_55535872	495.637	GWXIXMHUIIMYSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150974
Cc1ccc(cc1)C(=O)NCCc1nnc2n1CC[N@H+](CC2)Cc1ccc(cc1)N(c1ccccc1)C	PC-id_42484694,GD-id_ZINC12247327	495.638	XDLIYLXHUGNROJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150975
C[C@@H](c1nnc2n1CC[N@@H+](CC2)Cc1ccc(cc1)N(c1ccccc1)C)NC(=O)c1ccccc1C	PC-id_42166879,GD-id_ZINC11786613	495.638	PWLIWYBIUAJLRL-QHCPKHFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150976
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C(C)C)c1ncccc1	PC-id_74800940	495.638	SNOQQUKTUJJBPJ-UHFFFAOYSA-O	00000000100000111101100000000010000000000000000000000000	31-01-150977
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C(C)C)c1ncccc1	PC-id_74801169	495.638	VETACPNKTWDBGX-UHFFFAOYSA-O	00000000100000111101100000000010000000000000000000000000	31-01-150978
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C)c1c(cccc1)C	PC-id_74780434	495.638	PWLIWYBIUAJLRL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150979
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C(C)C)c1ncccc1	PC-id_42405584	495.638	SNOQQUKTUJJBPJ-MUUNZHRXSA-O	00000000100000111101100000000010000000000000000000000000	31-01-150980
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1cc(ccc1)c1c(cccc1)C)C(C)C)c1ncccc1	PC-id_42405585	495.638	SNOQQUKTUJJBPJ-NDEPHWFRSA-O	00000000100000111101100000000010000000000000000000000000	31-01-150981
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C(C)C)c1ncccc1	PC-id_42407371	495.638	VETACPNKTWDBGX-MUUNZHRXSA-O	00000000100000111101100000000010000000000000000000000000	31-01-150982
O=C(N[C@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)C(C)C)c1ncccc1	PC-id_42407372	495.638	VETACPNKTWDBGX-NDEPHWFRSA-O	00000000100000111101100000000010000000000000000000000000	31-01-150983
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C)c1c(cccc1)C	PC-id_42166875	495.638	PWLIWYBIUAJLRL-HSZRJFAPSA-O	00000000100000110101000000000010000000000000000000000000	31-01-150984
COc1ccc(cc1)c1scc(n1)CN1CCN(CC1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_112834918	495.64	KEWZAIWSUVCIQK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-150985
s1c2c(CCCCCC2)c(c1NC(=O)CSc1nc(c2ccccc2)cc(n1)C)C(=O)OCC	PC-id_4394569	495.657	KBIFPTAOSIFFEF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150986
CCOC(=O)c1c(N/C(=C/Sc2nnc(s2)NC(=O)C(C)(C)C)/[O-])sc2c1CCCCC2	GD-id_ZINC12139842	495.658	WFZRZPJYXVQHDJ-KAMYIIQDSA-M	00000000100000000101000000000010000000000000000000000000	31-01-150987
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C#N)N1CC(OC(C1)C)C	PC-id_55625951	495.659	RXVXPBKYQDOVQI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-150988
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1[C@@H](C)Oc1cccc(C)c1	CoCoCo_6837647,PC-id_28741092,ZINC22_20214254	495.66	ZGWQSOSSHLATEE-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150989
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1[C@H](C)Oc1cccc(C)c1	PC-id_28741094,CoCoCo_6837648,ZINC22_20214257	495.66	ZGWQSOSSHLATEE-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150990
CCn1c(SCC(=O)Nc2sc3CCCCCc3c2C#N)nnc1C(C)Oc1cccc(C)c1	TIMTEC592713,PC-id_17306012,MCULE-6930815613,EMOLS-id_4169729	495.66	ZGWQSOSSHLATEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150991
COCCn1c(nnc1c1cccc(c1)C)SC(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	PC-id_16333384,EMOLS-id_11772379,MCULE-3415170313	495.66	OAZVQJGCGOWEMR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150992
COCCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1cccc(C)c1	CoCoCo_4174597,ZINC22_9789238,PC-id_41214058	495.66	OAZVQJGCGOWEMR-KRWDZBQOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150993
COCCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1c1cccc(C)c1	CoCoCo_4174598,PC-id_41214059,ZINC22_9789239	495.66	OAZVQJGCGOWEMR-QGZVFWFLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150994
O=C(CSc1nnc2n1CCCCC2)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2	EMOLS-id_11711811,MCULE-2762526926,SCHEMBL21045596,CoCoCo_3082205,PC-id_16293441,ZINC22_9817818	495.66	OCLQUHBBHOUURQ-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-150995
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)C)C#N	PC-id_19732503	495.66	SYPVDVQEGVRSEM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150996
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)C)C#N	PC-id_19732855	495.66	CYRHPLUTFYANBL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-150997
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)CC)C#N	PC-id_17267700	495.66	KBZWCWHFNUKODF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150998
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC)C#N	PC-id_17305928	495.66	AKQYZAMHFNPIMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-150999
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC)C#N	PC-id_19636586	495.66	HPWWJNHEAUIXHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151000
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)C)C#N	PC-id_19636817	495.66	JABJDDJHWMWURP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151001
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)C)C#N	PC-id_19637174	495.66	NVVAZULNMYTVHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151002
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)C)C#N	PC-id_19637518	495.66	KQBQNDBGWQOZIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151003
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC)C#N	PC-id_19643416	495.66	CXFDWXIYPCSPFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151004
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)C)C#N	PC-id_19643602	495.66	AOXZTDQYMVAVIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151005
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC)C#N	PC-id_20128800	495.66	CTLAGVONGKEYGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151006
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)CC)C#N	PC-id_21165668	495.66	ZOFAKPFMYCVCMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151007
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC)C#N	PC-id_21166001	495.66	LKNKRQHRZIQBNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151008
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC)C#N	PC-id_19632173	495.66	GXIZLWADGWAYOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151009
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(CC)cc1)C)C)C#N	PC-id_19638872	495.66	ZGMOTSZNFTZJSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151010
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)C)C#N	PC-id_19632328	495.66	ZBHTUMOSVSAINH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151011
s1c2CCCCCc2c(c1NC(=O)C(Sc1oc(nn1)c1ccc(N(CC)CC)cc1)C)C#N	PC-id_24496789	495.66	RSPQXBZHYXWDAB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151012
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C)C#N	PC-id_21165198	495.66	XZDSBBBFXDLNOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151013
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(cc1)C)C#N	PC-id_21165403	495.66	CNXBVJXADMEALJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151014
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC)C#N	PC-id_17302107	495.66	RSEUULWSXPXZCY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151015
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC)C#N	PC-id_19731930	495.66	KUUTXQWZYASFLP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151016
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC)C#N	PC-id_20123841	495.66	GVIUEYCJAONROF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151017
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)C)C#N	PC-id_17265702	495.66	QFTHEIIPEVXOJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151018
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)C)C#N	PC-id_17269392	495.66	STLZSRAYEZILKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151019
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)C)C#N	PC-id_17304571	495.66	FJVKWIQSRUZAMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151020
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)C)C#N	PC-id_17304647	495.66	XSLUSZGAAXNUEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151021
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)C)C#N	PC-id_17304734	495.66	RFSXCUVUMYBFQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151022
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC)C#N	PC-id_19634896	495.66	VAEWTSPPDQHRBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151023
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)C)C#N	PC-id_19636126	495.66	KHMFUYXBDXAUGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151024
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)C)C#N	PC-id_19636484	495.66	UNKSTGCHAFZMLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151025
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)C)C#N	PC-id_20128702	495.66	YSMDTJQECVEFBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151026
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC)C#N	PC-id_21164983	495.66	LLTYNJIRRSDWHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151027
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)C)C#N	PC-id_19632093	495.66	YZHATTXSXKXWFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151028
CCOC(=O)CCCN(C1CCN(CC1)C)CCc1ccc(cc1)Oc1nc2c(s1)C=CC=CC2	PC-id_142996970	495.677	AOQTUTLVFMMRDR-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-151029
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NCC)cc1)C(=O)OCC	PC-id_20166166	495.678	LEMFFOCHXHBGNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151030
CCCOc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)c1cccc2c1cn(n2)C	PC-id_138671510	495.68	LMIHVOVNOQXLFT-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-151031
CCCOc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1cccc2c1cn(n2)C	SCHEMBL21041897	495.68	LMIHVOVNOQXLFT-MXVIHJGJSA-N	00000000100010100101000001000010000000000000000000000000	31-01-151032
CCC1CCCCCCCCc2cc1c(/C=C/1N=C(C=C1OCc1ccccc1)c1cccn1C)n2C	SCHEMBL3886960	495.698	LKRXQHGJKCYFEV-SWKFRHMKSA-N	00000011110000110100100000000010000000000000000000000000	31-01-151033
CCCCC1CCCCCCCCc2cc1c([nH]2)/C=C
/C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	PC-id_135767900,SCHEMBL3881444	495.698	DLOQTERUISJQMT-JDCMOKTRSA-N	00000011110000110100100000000010000000000000000000000000	31-01-151034
CCCCC1CCCCCCCCc2cc1c([nH]2)C=C1C(=CC(=N1)c1ccc[nH]1)OCc1ccccc1	PC-id_136654296	495.698	DLOQTERUISJQMT-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-151035
O(c1/c(=C/c2[nH]c3cc2C(CCCCCCCC3)CCCC)/[nH]/c(=C/2N=CC=C2)/c1)Cc1ccccc1	PC-id_18176955	495.698	LKPLXMPZEALZKP-NFJRPTEFSA-N	00000011110000110100100000000010000000000000000000000000	31-01-151036
O(c1/c(=C/c2[nH]c3cc2C(CCCCCCCC3)CCCC)/[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68825309	495.698	LKPLXMPZEALZKP-JCGJCTRTSA-N	00000011110000110100100000000010000000000000000000000000	31-01-151037
CC(C)c1ccc2-c(c(cc2CCCCS(=O)(=O)Nc2ccc(Cl)cc2)S(=O)(=O)O)cc1	PC-id_44291635,CHEMBL1206702	496.039	SIVYMNIEVODPNT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151056
O(c1c(=Cc2[nH]c3cc2C(CCCCCCCC3)CCCC)[nH]c(=C2N=CC=C2)c1)Cc1ccccc1	PC-id_68825311	495.698	LKPLXMPZEALZKP-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-151038
O(C1=CC(=NC1=Cc1n(c2cc1C(CCCCCCCC2)CC)C)c1n(ccc1)C)Cc1ccccc1	PC-id_18177009	495.698	LKRXQHGJKCYFEV-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-151039
CC(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1(C)CC1	SCHEMBL19553712	495.72	LWLTZHOMGSJGGA-UHFFFAOYSA-N	00100000100010101100000000000010000000000000000000000000	31-01-151040
CC(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1CCC1	SCHEMBL19553934	495.72	LZYMTTJGHQZYIP-UHFFFAOYSA-N	00001000100010101100000000000010000000000000000000000000	31-01-151041
C[C@@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1(C)CC1	SCHEMBL19553710	495.72	LWLTZHOMGSJGGA-HXUWFJFHSA-N	00100000100010101100000000000010000000000000000000000000	31-01-151042
C[C@@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1CCC1	SCHEMBL19553754	495.72	LZYMTTJGHQZYIP-HXUWFJFHSA-N	00001000100010101100000000000010000000000000000000000000	31-01-151043
BrC(=Cc1cc2-c(cc(c1)C=C(Br)Br)ccc2)Br	PC-id_11179462	495.829	XEMXLAIJOGTGAN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-151044
COC(=O)CCC(=O)[AsH]Cc1ccc(cc1Cl)C(=O)N1CCCCc2c1ccs2	SCHEMBL6645337	495.851	YSCSSPDABGEOLZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151045
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccc(cc1)Cl)Nc1sc2c(CCCCC2)c1C#N	ZINC22_2286492,STOCK1S-81073,CoCoCo_1956704,MCULE-7496795405,PC-id_1908975,EMOLS-id_4409968	495.869	CHILUWNYVQCYJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151046
Clc1c2c(sc1C(=O)OCC(=O)Nc1sc3c(CCCCC3)c1C(=O)OC)cc(F)cc2	PC-id_3958052	495.971	HNHSFEPYWINKDC-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-151047
Clc1ccc(Oc2cc(C[NH+]3CCn4c(nnc4CNC(=O)C4NC(=O)CC4)CC3)ccc2)cc1	PC-id_74804364	495.981	IDQLONHMXIGOOC-UHFFFAOYSA-O	00000010100000110101000000000010000000000000000000000000	31-01-151048
Clc1ccc(Oc2cc(C[NH+]3CCn4c(nnc4CNC(=O)[C@H]4NC(=O)CC4)CC3)ccc2)cc1	PC-id_42452342	495.981	IDQLONHMXIGOOC-NRFANRHFSA-O	00000010100000110101000000000010000000000000000000000000	31-01-151049
Clc1ccc(Oc2cc(C[NH+]3CCn4c(nnc4CNC(=O)[C@@H]4NC(=O)CC4)CC3)ccc2)cc1	PC-id_42452343	495.981	IDQLONHMXIGOOC-OAQYLSRUSA-O	00000010100000110101000000000010000000000000000000000000	31-01-151050
Clc1c(cc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_4599744	495.999	BUMNWFXVOGMFJF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151051
CN(CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2)S(=O)(=O)c1ccc(Cl)cc1	ZINC22_3373228,MCULE-9441213919,CoCoCo_2787580,PC-id_2490995,EMOLS-id_43680040	495.999	CVWYBQFITRBQDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151052
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc3c2CCCCCC3)c1	ZINC22_408970845	496.021	LDYKWUJPAZWEFT-RWPZCVJISA-N	00000000100000110100000000000010000000000000000000000000	31-01-151053
CC(C(F)(F)F)NS(=O)(=O)C1=C2C=CCCCN2C(=C1Cl)C(=O)NC3=CC(=NC=C3)Cl	PC-id_155278820	496.035	YRMVYAMXBPDUEJ-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-151054
CC(C)c1ccc2-c(c(cc2CCCCNS(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)O)cc1	PC-id_131116,PD068479,CHEMBL1206329,SCHEMBL5673549	496.039	ONMQCKPUEFDWIX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151055
Clc1c(cc(S(=O)(=O)N2CCCCC2)cc1)C(=O)NNC(=O)c1sc2CCCCCc2c1	PC-id_43004226	496.043	KBCFDTULFZOONA-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-151061
Clc1ccc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_16861631	496.043	CUONREULGQVPJW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-151062
Clc1ccc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_41828884	496.043	OFVMFNXZMIYSRW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-151063
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(C(CN(CC3)C)C)c2)C(=O)OC)cc1	PC-id_77527091	496.043	ZSXODVRCCWXRDS-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-151064
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(C(CN(CC3)C)C)c2)C(=O)OC)cc1	SCHEMBL3304373,PC-id_68588598	496.043	ZSXODVRCCWXRDS-RLSDIYDTSA-N	00000010100100000100000000000010000000000000000000000000	31-01-151065
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1F	PC-id_20175698	496.061	GDJKEWMKWJLSMI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151066
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc(F)c1	PC-id_20168675	496.061	TXFIHFWAJMSCJX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151067
C[C@H](C(F)(F)F)NS(=O)(=O)C1=C2C=CCCCN2C(=C1Cl)C(=O)CC3=CC(=C(C=C3)F)F	PC-id_161115147	496.065	HBIOFTNTJQNXDV-LLVKDONJSA-N	00000000100000110110000000000010000000000000000000000000	31-01-151068
COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)C(C(F)(F)F)(F)F	PC-id_164889040	496.065	MWQRHNYEPOWMJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151069
CCN1CC(C)(C)CN=CNc2c(C1=O)c(Sc1ccncc1)n(c2C)Cc1ccc(cc1)Cl	PC-id_144007101	496.067	LQTMPEBDRBVBFE-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-151070
C/C=C(/CN1C2=C(N=C1OC3=CC(=CC=C3)OC(F)(F)F)N(CC(=O)NC2=O)C)C=C/C(=C)Cl	PC-id_153341657	496.113	DJDYMOIAPAPNFK-HCILYLEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151071
CCC1=CNc2c(C(=N)C1)ncn2C[C@@H](C)OC[P@]1(=O)OCC[C@H](O1)c1cc(cc(c1)Cl)F	PC-id_163679980	496.144	VBXDKQODTNTYED-GGKBKOLSSA-N	00000000100010110111100000000010000000000000000000000000	31-01-151072
CCC1=CNc2c(C(=N)C1)ncn2C[C@@H](C)OCP1(=O)OCC[C@H](O1)c1cc(cc(c1)Cl)F	PC-id_163679981	496.144	VBXDKQODTNTYED-WTSCKJIWSA-N	00000000100010110111100000000010000000000000000000000000	31-01-151073
CC(COC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)CCC(F)(F)F)(F)F	PC-id_161854191	496.218	XZLJASQBDHVBNB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151074
CC(COC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)NC(=O)CC4=NN(N=C4)C)(F)F	PC-id_148674019	496.243	NQGXAETZRJZODZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151075
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)N(N=C4)CCC(F)(F)F	PC-id_160268733	496.248	PPAYTHNGADXQSH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151076
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=CN(N=C4CC3)CCC(F)(F)F	PC-id_149293424	496.248	XVHSPBUEXIPFNN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151077
CC(C)CC(C(=O)CC1CCCC2=C(CCCNC(=O)C1=O)NN=C2)NC(=O)OCC3=CC=CC=C3	PC-id_148900343	496.269	PGQWYOZZKUVOKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151078
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3=CC=CC(=C3)C(=O)N4CCCC4	PC-id_155171431	496.269	PLCIYGFPQHBYMG-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-151079
Ic1oc(/C=C/C(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_55313510	496.319	JNKNNGNOHGGQCR-VQHVLOKHSA-N	00000000101000000100000000000010000000000000000000000000	31-01-151080
Ic1oc(C=CC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)cc1	PC-id_76226674	496.319	JNKNNGNOHGGQCR-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-151081
Brc1cn(nc1)Cc1cc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)ccc1	PC-id_19523734	496.324	QFLJDSXMNLFIBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151082
Brc1ccc(OCC(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_4544909	496.371	RDMBRVGEPHCQON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151083
Brc1c(C(=O)OCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc(OC)cc1	PC-id_5024163	496.371	JOIFMGRCFMBRSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151084
c12C(=O)N(CCCn1nc(C(=O)NCCc1c[nH]c3ccc(Cl)cc13)c2)Cc1ccc(cc1)Cl	EMOLS-id_32632882,PC-id_53007954,MCULE-6236379947	496.388	KJLQYSPACYGOFG-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-151085
O=C(Cc1ccc(cc1)Br)Nc1cccc(c1)C(=O)NCCc1nnc2n1CCCCC2	PC-id_112823889	496.4	ZHHTYDPIZIWLQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151086
Br/C(=C/C1OC(=O)C=CC=C(C[C@@H](OC(=O)CC(=O)CCc2nc(sc2)C1)C)C)/C	PC-id_59343228	496.415	UMCXLJLRHWQARK-SNWGHWABSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151087
BrC(=CC1OC(=O)C=CC=C(CC(OC(=O)CC(=O)CCc2nc(sc2)C1)C)C)C	PC-id_72259770	496.415	UMCXLJLRHWQARK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151088
Br/C(=C/[C@H]1OC(=O)C=CC=C(C[C@@H](OC(=O)CC(=O)CCc2nc(sc2)C1)C)C)/C	PC-id_59343225	496.415	UMCXLJLRHWQARK-VBYVGKDHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151089
C/C(=CC1OC(=O)/C=CC=C(/C)CC(C)OC(=O)CC(=O)CCc2nc(C1)sc2)/Br	SCHEMBL12844904	496.415	UMCXLJLRHWQARK-YDTTZMKMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151090
C/C(=CC1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CC(=O)CCc2nc(C1)sc2)/Br	SCHEMBL13297220	496.415	UMCXLJLRHWQARK-GCEALXPASA-N	00000000100000000111000000000010000000000000000000000000	31-01-151091
C/C(=C[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CC(=O)CCc2nc(C1)sc2)/Br	SCHEMBL12779377	496.415	UMCXLJLRHWQARK-HCDWIQPYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151092
Brc1ccc(S(=O)(=O)N2C(CCCC2)C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24646615	496.421	YADLTEQQTAOPJO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151093
Brc1ccc(S(=O)(=O)N2CC(CCC2)C(=O)NCc2n3CCCCCc3nn2)cc1	PC-id_24676732	496.421	RSKNHFNWKJVAPI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151094
c1(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)sc2c(CCCCC2)c1C(=O)N	ZINC22_2863134,MCULE-7306362784,EMOLS-id_2005723,PC-id_2216577,ChEMBL-DNDi_CHEMBL7898446,CoCoCo_1014927	496.441	WUXFSPYPDKYUTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151095
c1(NC(=S)NNC(=O)Cc2ccc(cc2)Br)sc2c(CCCCC2)c1C(=O)OC	TIMTEC69816,MCULE-1360113763,CoCoCo_998898,PC-id_2210268,EMOLS-id_2472090,GD-id_ZINC02857010	496.441	BBQVTVKQJGVNBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151096
CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc1Br	PC-id_20166131,ZINC22_32125456	496.441	JNSHPUOXAXVNKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151097
Cc1ccccc1NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(C(C(F)(F)F)(F)F)(F)F	SCHEMBL20541788,PC-id_135363040	496.442	NFKWGHWETIKTKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151098
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOP(=O)(OCC)OCC	PC-id_23296751,SCHEMBL8166474	496.447	SWJIPNSXMJECHF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-151099
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)N(OCP(=O)(C)C)C	PC-id_88126246,SCHEMBL7311223	496.447	IPEUYUBJWRFHJP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-151100
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1Cl	PC-id_22198735	496.45	DRDMDLQSOSIHCZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-151101
Fc1c(C(=O)NC(c2n3CC[NH+](CCc3nn2)Cc2ccc(OC(F)(F)F)cc2)C)cc(F)cc1	PC-id_74844221	496.453	BGSFKGHKVJZFJF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151102
Fc1c(C(=O)N[C@@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(OC(F)(F)F)cc2)C)cc(F)cc1	PC-id_42340908	496.453	BGSFKGHKVJZFJF-CQSZACIVSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151103
Fc1c(C(=O)N[C@H](c2n3CC[NH+](CCc3nn2)Cc2ccc(OC(F)(F)F)cc2)C)cc(F)cc1	PC-id_42340910	496.453	BGSFKGHKVJZFJF-AWEZNQCLSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151104
Cc1c(cc(cc1)NC(=O)Nc1c(ccc(c1)C(F)(F)F)F)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478261	496.456	PVSOCTWVEBROAT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151105
O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076573	496.456	PVSOCTWVEBROAT-IBBHUPRXSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151106
Brc1c(C(=O)NC(CCSC)C(=O)Nc2sc3CCCCCCc3n2)cccc1	PC-id_56021079	496.484	LYNKUSPFXWALJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151107
CC1CC(=NC=C1N=C(/C(=CN)/C(=O)c1cc2c([nH]1)ccc(=N)c(c2)F)N)OC1=C(C=CCC1F)F	PC-id_137305142	496.484	ONUHFCKJWXQSQI-XMWYDXGUSA-N	00000000100011000110000000000010000000000000000000000000	31-01-151108
N=C/C(=C(NC1=CN=C(CC1C)OC1=C(F)C=CCC1F)/N)/C(=O)c1[nH]c2=C=CC(=C(C=c2c1)F)N	SCHEMBL20084772	496.484	YLUZNKKSMBCVNL-DXEHXNAWSA-N	00000000100011000110000000000010000000000000000000000000	31-01-151109
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OC	PC-id_19649277	496.49	LXXICHOVTNKPKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151110
N#Cc1c(NC(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc2c1CCCCC2	MCULE-8132738208,CoCoCo_3082929,ZINC22_2628985,PC-id_2091367,EMOLS-id_3273162	496.492	AOQLVEYVNPGTKN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-151111
COC1CN(C1)CCc1nn2c(c1)N(C)C(=O)C(CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL19641569	496.537	WUNSRXGHVYHYGA-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-151112
COC1CN(C1)CCc1nn2c(c1)N(C)C(=O)[C@@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367441	496.537	WUNSRXGHVYHYGA-HXUWFJFHSA-N	00001000100000110101000000000010000000000000000000000000	31-01-151113
COC1CN(C1)CCc1nn2c(c1)N(C)C(=O)[C@H](CC2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367442	496.537	WUNSRXGHVYHYGA-FQEVSTJZSA-N	00001000100000110101000000000010000000000000000000000000	31-01-151114
O=C1[C@@H](CCn2c(N1C)cc(n2)CCN1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367384	496.537	UPVMQUCJEYENGD-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151115
O=C1[C@H](CCn2c(N1C)cc(n2)CCN1CCOCC1)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367386	496.537	UPVMQUCJEYENGD-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151116
Cc1c(cccc2-c1c[n+](n2)CC1CCN(CC1)C(=O)c1ccc(cc1)C(F)F)C(=NCCOC)[O-]	PC-id_137285149	496.549	MAHIBTAOYCACDZ-UHFFFAOYSA-N	00000010100010110111000000000010000000000000000000000000	31-01-151117
COCCNC(=O)C1=C(C)c2cn(nc2C=C=C1)CC1CCN(CC1)C(=O)c1ccc(cc1)C(F)F	SCHEMBL19791721	496.549	DVGDBEAKBBHWQE-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-151118
COC(=O)c1c(NC(=O)COC(=O)c2cc(S(=O)(=O)N)ccc2OC)sc2c1CCCCC2	MCULE-9508543352,ZINC22_12634920,EMOLS-id_3372679,CoCoCo_2897120,PC-id_4841372	496.554	IGPDASPYXKNWIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151119
Cc1cccc(c1)Cc1nc(nn1c1ccc(cc1F)S(=O)(=O)N)CN1CCc2c(CC1)con2	SCHEMBL13100312,PC-id_59532285	496.557	LYAXYVFIEBIYLG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151120
COc1ccc(OC)c(c1)C(=O)c1ccc(cc1)C(=O)N1CCc2nnc(Cc3ccccc3)n2CC1	EMOLS-id_20531947,ZINC22_12131956,MCULE-8541351193,CoCoCo_1317364,PC-id_42423559	496.557	NLADXNOTZFIXIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151121
OC[C@@H](N1CC[C@@H](OCc2cn(CCCC1=O)nn2)CN(C(=O)c1noc(c1)c1ccccc1)C)C	SCHEMBL20831830,PC-id_138484181	496.559	IZUOABOZIQLZDS-GHTZIAJQSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151122
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1)C(=O)NC(=O)OC	PC-id_41274580	496.572	NGWJHAHUXVJCGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151123
S(=O)(=O)(N1CCOCC1)c1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1F	PC-id_55377459	496.572	KHALXNWVLNEXSS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151124
CC(=O)ON=C1CCN(C(=O)c2c1ccn2CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)C	PC-id_74952718,SCHEMBL9039307	496.574	XDHBATJBXAYVHZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-151125
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(cc2)/C(=N/OC(=O)C)/CCN(C3=O)C)cc1	PC-id_44209921	496.574	XDHBATJBXAYVHZ-RMLRFSFXSA-N	00000000100010110100000000000010000000000000000000000000	31-01-151126
O=C(c1ccccc1c1ccccc1C(=O)O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709995	496.577	MIMCPAGLPNIRHM-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-151127
CCN(C(=O)COC(=O)c1cc2c(s1)CCCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC22_9255118,EMOLS-id_48947687,MCULE-9549285467,PC-id_16264146,CoCoCo_3644327	496.579	JSCWFFGUJPSTML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151128
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)cc(OC)c1OC)C	PC-id_42372215	496.579	YSLZGMDWCZQRDM-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151129
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)cc(OC)c1OC)C	PC-id_42372219	496.579	YSLZGMDWCZQRDM-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151130
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)cc(OC)c1OC)C	PC-id_74800314	496.579	YSLZGMDWCZQRDM-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151131
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)ccc(OC)c1OC)C	PC-id_42369570	496.579	RSGKTZULRBVUNJ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151132
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)cc(OC)c(OC)c1)C	PC-id_42435051	496.579	DTRILZBXRCSDSL-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151133
O(c1c(C[NH+]2CCn3c(nnc3CCNC(=O)COc3ccccc3)CC2)c(OC)cc(OC)c1)C	PC-id_42461579	496.579	UJHJNRCUJIPHAC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151134
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)ccc(OC)c1OC)C	PC-id_42246744	496.579	BBVBHLHKHVFYII-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151135
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)ccc(OC)c1OC)C	PC-id_42246746	496.579	BBVBHLHKHVFYII-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151136
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)COc3ccccc3)C)CC2)c(OC)cc(OC)c1)C	PC-id_42168986	496.579	MMZKYCPNZGYXHU-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151137
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)COc3ccccc3)C)CC2)c(OC)cc(OC)c1)C	PC-id_42168988	496.579	MMZKYCPNZGYXHU-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151138
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)ccc(OC)c1OC)C	PC-id_74785837	496.579	BBVBHLHKHVFYII-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151139
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)COc3ccccc3)C)CC2)c(OC)cc(OC)c1)C	PC-id_74780723	496.579	MMZKYCPNZGYXHU-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151140
O=C1N(CCCCCn2ncc(n2)COCC2(C)COc3c(OC2)csc3)C(=O)c2c1cccc2	PC-id_143322853	496.579	FQBQSMPWXIGHAF-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-151141
S(c1n2CCCCCc2nn1)CC(=O)c1c(n(c(c1)C)c1cc(cc(c1)C(=O)OC)C(=O)OC)C	PC-id_24371232	496.579	XMVIYJDNUCFQIE-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-151142
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)Nc2sc3c(CCC(C(C)(C)C)C3)c2C(=O)N)n1	TIMTEC507996,PC-id_17382179,MCULE-5750798993,EMOLS-id_7710094	496.589	VQKIEPJLOWQGHF-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-151143
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCCC4)c2C(=O)N)C1	PC-id_25549183,CoCoCo_6628672,ZINC22_12846698	496.589	VQKIEPJLOWQGHF-ZDUSSCGKSA-N	00000000100010000101000000010010000000000000000000000000	31-01-151144
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCCC4)c2C(=O)N)C1	ZINC22_12846691,CoCoCo_6628673,PC-id_25549178	496.589	VQKIEPJLOWQGHF-CYBMUJFWSA-N	00000000100010000101000000010010000000000000000000000000	31-01-151145
O=C(c1cccnc1C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671157	496.589	WCUWZYDITZGKIU-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-151146
O=C(c1cccnc1C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041528	496.589	WCUWZYDITZGKIU-IYARVYRRSA-N	00000000100010101101000000000010000000000000000000000000	31-01-151147
C1(c2ccccc2OC)(CC(=O)N(C)Cc2c3CCCCCc3[nH]n2)CC(=O)N(CCCOC)C1=O	PC-id_45205340,EMOLS-id_25611449,MCULE-6532565438	496.599	YHFXJHAPTGYVHB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-151148
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1cccc(c1)OCCN1CCOCC1)C	SCHEMBL19702831	496.599	UHZNMALEKLTRIX-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-151149
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19702836,SCHEMBL20110123	496.599	MLHAGAQCTBOORN-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-151150
COCCCN1C(=O)C[C@@](CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)(c2ccccc2OC)C1=O	PC-id_42481841,ZINC22_12244520,CoCoCo_1346528,CoCoCo_1346530	496.599	YHFXJHAPTGYVHB-MHZLTWQESA-N	00000010100000110101100000000010000000000000000000000000	31-01-151151
COCCCN1C(=O)C[C@](CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)(c2ccccc2OC)C1=O	PC-id_42481842,CoCoCo_1346529,CoCoCo_1346531,ZINC22_12244521	496.599	YHFXJHAPTGYVHB-HHHXNRCGSA-N	00000010100000110101100000000010000000000000000000000000	31-01-151152
CC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NCC(=O)N[C@H](C(=O)O1)C(C)C	PC-id_145577505	496.6	ZADFXPQRMXAZOF-RKPATRHPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151153
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)c2ccc3ccn(C)c3c2)OCc2cn(CCCC1=O)nn2	BindingDB-id_197826,CHEBI:96009,PC-id_44486956,BindingDB_PC-id_44486956	496.602	BWTMYHAPSQQINJ-XLNZFTOWSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151154
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	PC-id_75036254	496.602	KMYKLRXROVKHNJ-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151155
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	CHEBI:96245,PC-id_44488690	496.602	BWTMYHAPSQQINJ-KHCICDEESA-N	00000000100000100101000001100010000000000000000000000000	31-01-151156
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	CHEBI:96736,PC-id_44487411	496.602	BWTMYHAPSQQINJ-IMWIBFENSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151157
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	PC-id_44485057,CHEBI:95905	496.602	BWTMYHAPSQQINJ-GLDPYIMESA-N	00000000100000100101000001100010000000000000000000000000	31-01-151158
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	PC-id_44485059,CHEBI:95982	496.602	BWTMYHAPSQQINJ-YDIMBITNSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151159
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	PC-id_44485746,CHEBI:96075	496.602	BWTMYHAPSQQINJ-IECBHUPTSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151160
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	PC-id_44486350,CHEBI:112462	496.602	BWTMYHAPSQQINJ-AXHZCLLHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151161
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	SCHEMBL17487103,CHEBI:96150,PC-id_44488691	496.602	BWTMYHAPSQQINJ-JXQFQVJHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151162
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	CHEBI:112528,PC-id_44505185	496.602	KMYKLRXROVKHNJ-YDIMBITNSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151163
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	CHEBI:112612,PC-id_44506000	496.602	KMYKLRXROVKHNJ-KHCICDEESA-N	00000000100000100101000001100010000000000000000000000000	31-01-151164
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	CHEBI:112643,PC-id_44505193	496.602	KMYKLRXROVKHNJ-GLDPYIMESA-N	00000000100000100101000001100010000000000000000000000000	31-01-151165
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	CHEBI:96958,PC-id_44505995	496.602	KMYKLRXROVKHNJ-JXQFQVJHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151166
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	PC-id_44505189,CHEBI:95695	496.602	KMYKLRXROVKHNJ-IECBHUPTSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151167
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	PC-id_44505194,CHEBI:112577	496.602	KMYKLRXROVKHNJ-IMWIBFENSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151168
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	PC-id_44505748,CHEBI:112607	496.602	KMYKLRXROVKHNJ-AXHZCLLHSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151169
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)c1cc2n(ccc2cc1)C)C	PC-id_44505750,CHEBI:96046	496.602	KMYKLRXROVKHNJ-XLNZFTOWSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151170
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(SCc2c(onc2C)C)nccc1)C#N	PC-id_31751397	496.602	HBYGHYCLTZJJAL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-151171
COc1ccccc1C(=O)NCc1nnc2CCN(Cc3ccc(cc3)N(C)c3ccccc3)CCn12	ChEMBL-DNDi_CHEMBL17563204,EMOLS-id_20440985,PC-id_28393900,CoCoCo_1188044,MCULE-4664514337,ZINC22_19839898,CoCoCo_1188045	496.603	FOKYFTDRVNSKGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151172
Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)o1	BindingDB-id_989508,SCHEMBL21041792	496.614	FWMIDKRMSILWNA-IYARVYRRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151173
O=C(Cc1cnc(o1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	PC-id_138671409	496.614	FWMIDKRMSILWNA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151174
CCCCN1CC/C(=N/O)/c2c(C1=O)n(CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)cc2	PC-id_100955399	496.617	PHBIGXCTIVNAFE-JVCXMKTPSA-N	00000000100010110100000000000010000000000000000000000000	31-01-151175
CCCCN1CCC(=NO)c2c(C1=O)n(CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)cc2	SCHEMBL9040040,PC-id_85244498	496.617	PHBIGXCTIVNAFE-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-151176
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(/C(=N/O)/CCN(C3=O)CCCC)cc2)cc1	PC-id_10720089	496.617	PHBIGXCTIVNAFE-QCWLDUFUSA-N	00000000100010110100000000000010000000000000000000000000	31-01-151177
c1(c2CCCCCc2sc1NCc1cccc(OC)c1OC)C(=O)Nc1ccc(cc1OC)OC	CoCoCo_2720524,EMOLS-id_16406266,PC-id_5104209,MCULE-2899215303	496.618	UOEKFPQNNCYGFE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151178
c1(c2CCCCCc2sc1NCc1ccc(c(OC)c1)OC)C(=O)Nc1c(OC)ccc(OC)c1	CK1525063,BAS-03715744,ZINC22_2909625,EMOLS-id_1439651,PC-id_3148526,CoCoCo_306092,MCULE-1578725063	496.618	FHHDIIVRGHYGSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151179
c1(c2CCCCCc2sc1NCc1cccc(OC)c1OC)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_2254621,ZINC22_2909622,CoCoCo_306088,MCULE-3948253201,EMOLS-id_1439643,BAS-03715740	496.618	QOJYWDSKGPYNRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151180
c1(c2CCCCCc2sc1NCc1ccc(c(OC)c1OC)OC)C(=O)Nc1ccccc1OC	EMOLS-id_16406280,PC-id_3601391,CoCoCo_2720534,MCULE-3665562816	496.618	JWNAOPHYXDVMEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151181
CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CCCCCCCCCC2	PC-id_4319667,ZINC22_8742114,MCULE-1219469408	496.618	AATCXRMOPQYQFC-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-151182
COc1ccc(cc1)NC(=O)c1c(NCc2ccc(c(c2OC)OC)OC)sc2c1CCCCC2	PC-id_4260337,CoCoCo_2720540	496.618	MHGXXVASYMQSRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151183
s1c2c(CCCCC2)c(c1NC(=O)C(N1C(=O)c2c(C1=O)cccc2)CCC(C)C)C(=O)OCC	PC-id_23906852	496.618	DEUOWSJRWBBQAB-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-151184
S(=O)(=O)(N1C(CN(c2sccc2C1)Cc1n(cnc1)C)Cc1ccccc1)c1ccc(F)cc1	PC-id_23383395	496.62	JWXJFGUABAXVQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151185
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3oc(cc3)COC)CC(C)C)CC2)cc1)C)C	PC-id_42423661	496.622	MUOLEQQIFVSWSI-QFIPXVFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151186
O(c1c(cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3oc(cc3)COC)CC(C)C)CC2)cc1)C)C	PC-id_42423664	496.622	MUOLEQQIFVSWSI-JOCHJYFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151187
O(c1c(cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3oc(cc3)COC)CC(C)C)CC2)cc1)C)C	PC-id_74802081	496.622	MUOLEQQIFVSWSI-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151188
O=C1N(C(=O)C[C@]1(CC(=O)N(Cc1n[nH]c2c1CCCCC2)C)c1cc(OC)ccc1)CC[NH+](C)C	PC-id_42324442	496.622	DYUVHNWPDKHPCW-HHHXNRCGSA-O	00000010100000110101100000000010000000000000000000000000	31-01-151189
O=C1N(C(=O)C[C@@]1(CC(=O)N(Cc1n[nH]c2c1CCCCC2)C)c1cc(OC)ccc1)CC[NH+](C)C	PC-id_42324451	496.622	DYUVHNWPDKHPCW-MHZLTWQESA-O	00000010100000110101100000000010000000000000000000000000	31-01-151190
O=C1N(C(=O)CC1(CC(=O)N(Cc1n[nH]c2c1CCCCC2)C)c1cc(OC)ccc1)CC[NH+](C)C	PC-id_74792205	496.622	DYUVHNWPDKHPCW-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-151191
s1c2CCCCCCc2cc1C(=O)N(CCCOC)c1c(n(Cc2ccccc2)c(=O)[nH]c1=O)N	PC-id_60393468	496.622	MHVMNXOLDVTVGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151192
C/C=CC=C/C1=Cc2sccc2CCN1C(=O)c1ccc(cc1)NC(=O)c1nccc(c1)N1CCC1	PC-id_145014796	496.623	UNWJOFVZUWPVFL-BXAWZMCCSA-N	00001000100000111110100000000010000000000000000000000000	31-01-151193
O(c1ccc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3c(cccc3)C)C)CC2)cc1)Cc1ccccc1	PC-id_42368302	496.623	SZHXOPXNTHGDJC-HSZRJFAPSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151194
O(c1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3c(cccc3)C)C)CC2)cc1)Cc1ccccc1	PC-id_42368305	496.623	SZHXOPXNTHGDJC-QHCPKHFHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151195
O(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3c(cccc3)C)C)CC2)cc1)Cc1ccccc1	PC-id_74799869	496.623	SZHXOPXNTHGDJC-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151196
O=C(NCCc1n2CC[NH+](CCc2nn1)Cc1ccc(cc1)c1c(cccc1)C)c1ccc(OC)cc1	PC-id_42370145	496.623	IKSVFUXMAUFZLJ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-151197
O=C(NCCc1n2CC[NH+](CC(c3ccccc3)c3ccccc3)CCc2nn1)c1ccc(OC)cc1	PC-id_42381627	496.623	KOMHNLWPERBZNH-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151198
C=CN=CC1=C(C)c2n(C)nc(c2CCC1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C	PC-id_144418628	496.625	JAKZTJHQIHCGGM-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-151199
Fc1ccc(cc1)C(=C1CCN(CC1)CCN1CCSc2c(C1=O)ccs2)c1ccc(cc1)F	SCHEMBL9042266,PC-id_67756792	496.635	AVPYTGUGKQLUOP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151200
Fc1ccc(cc1)C(=C1CCN(CC1)CCN1CCSc2c(C1=O)scc2)c1ccc(cc1)F	SCHEMBL9731428,PC-id_19881154	496.635	KDKMBPDOUXCYMD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151201
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCC)CCC	PC-id_19102878,SCHEMBL9336962	496.64	AOKBWIKHTJQSIV-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-151202
CCCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CC)CC	SCHEMBL9335843,PC-id_19102846	496.64	GHKPHEPYPURYRD-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-151203
O=c1c(cc2n(c(nc2cc1CCC)CCCC)Cc1c(c(ccc1)c1ccccc1)C(=O)O)CCC	PC-id_19822333	496.64	LCGVXWOCCQTMCZ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-151204
CC(C)C1C(=O)OC(CC(=O)NCc2nc(cs2)C(=O)NC(C(=O)N1)(C)C)C=CCCSC	PC-id_89733000	496.643	KJGOYNKUWHBHCJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151205
CO[C@@H]1[C@@H](OC)CN(CCc2c1nnn2CCOCCN(C(C)(C)C)C)C(=O)CCCC(=O)NC	SCHEMBL14213763,PC-id_71100709	496.643	COLZYUUROBOXHF-WMZHIEFXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151206
CSC1=NC(C)C(=O)NCC(=O)OC(CC(=O)NCc2nc1co2)/C=C/CCSC(C)(C)C	PC-id_145152498	496.643	WTVLHDXXXHBOGG-RTCZSCOCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151207
CSCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C	SCHEMBL15165060	496.643	KJGOYNKUWHBHCJ-SBPGJCINSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151208
O(C1C(OC)c2nnn(c2CCN(C1)C(=O)CCCC(=O)NC)CCOCCN(C(C)(C)C)C)C	PC-id_78008691	496.643	COLZYUUROBOXHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151209
O(C[C@@H](O)[C@@H]1NCCCCCCc2n(nnc2)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_57338573	496.643	CTBRTPWQCAAHNU-LOYHVIPDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151210
O(CC(O)C1NCCCCCCc2n(nnc2)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_76515710	496.643	CTBRTPWQCAAHNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151211
O=C(N1CCC[C@H](c2c1ccs2)[NH+](C)C)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	GD-id_ZINC13532173	496.643	WILNJBJZWIOTDZ-AREMUKBSSA-O	00000000100000110100100000000010000000000000000000000000	31-01-151212
O=C(N1CCC[C@@H](c2c1ccs2)[NH+](C)C)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	GD-id_ZINC13532176	496.643	WILNJBJZWIOTDZ-SANMLTNESA-O	00000000100000110100100000000010000000000000000000000000	31-01-151213
c1(NC(=S)NNC(=O)c2ccc(cc2)n2cccc2)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC300293,CoCoCo_998244,MCULE-4509248781,EMOLS-id_2471900,PC-id_2209935	496.645	LYSBSXLOLYCMCM-UHFFFAOYSA-N	00000000110000110100100000000010000000000000000000000000	31-01-151214
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCCN(CC)CC)CC)Cc1cc(ccc1)C	PC-id_42854997	496.645	IXWNAFSAIOSCGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151215
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCCN(CC)CC)CC)Cc1c(cccc1)C	PC-id_42855029	496.645	PNCBDOVLXDLWCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151216
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCCN(CC)CC)CC)Cc1ccc(cc1)C	PC-id_46049698	496.645	ZLSFXFIILLUGRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151217
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC=C)C(=O)OC	PC-id_17301571	496.645	RXIVHMDIMILYNH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151218
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC=C)C(=O)OC	PC-id_17301608	496.645	CULONZUISGBAKO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151219
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC=C)C(=O)OC	PC-id_19729894	496.645	FQXFUBLKKAFOFX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151220
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccccc1)CC=C)C(=O)OCC	PC-id_19728054	496.645	BNAKYQGRMVSGRZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151221
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC=C)C(=O)OC	PC-id_20123644	496.645	ONRVYFMCEGQRJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151222
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccccc1)CC=C)C(=O)OC	PC-id_19728020	496.645	XTAJXCPOHVLHOI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151223
S1C2NC(NC(=O)C2C(=C1C(=O)NNC(=O)c1sc2CCCCCc2c1)C)Cc1ccccc1	PC-id_74295186	496.645	RPIPWMKZYATSKB-UHFFFAOYSA-N	00000011100010110101000000000110000000000000000000000000	31-01-151224
S(=O)(=O)(N1CCN(CC1)c1ccccc1)c1cc(ccc1)C(=O)Nc1sc2CCCCCc2n1	PC-id_24603967	496.645	NGLLKZPJCHYTGU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-151225
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(Cc2nc(c3ccsc3)no2)CC1	CoCoCo_4481630,PC-id_30639436,CoCoCo_4481631,ZINC22_22805040	496.648	UJTRELXEWLOKJP-INIZCTEOSA-N	00000000100110000101100000000010000000000000000000000000	31-01-151226
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(Cc2nc(c3ccsc3)no2)CC1	CoCoCo_4481633,CoCoCo_4481632,ZINC22_22805045,PC-id_30639439	496.648	UJTRELXEWLOKJP-MRXNPFEDSA-N	00000000100110000101100000000010000000000000000000000000	31-01-151227
N#Cc1c(NC(=O)CCN2CCN(Cc3nc(c4ccsc4)no3)CC2)sc2c1CCCCC2	ZINC22_22799678,CoCoCo_4481628,PC-id_17557201,EMOLS-id_11997217,MCULE-1940217988,CoCoCo_4481629	496.648	ZWVHRRHPBUPCGY-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-151228
N#Cc1c(NC(=O)C(N2CCN(CC2)Cc2onc(n2)c2cscc2)C)sc2c1CCCCC2	PC-id_17557665,EMOLS-id_12000753,MCULE-6059051408	496.648	UJTRELXEWLOKJP-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-151229
O=C(NCc1n2CCCCCc2nn1)CC1(CCCCC1)CC(=O)NCc1n2CCCCCc2nn1	PC-id_60265740	496.648	HOXGUJDULQJJTJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151230
s1c2CCCCCc2c(c1NC(=O)C(Sc1n(c(N2CCCC2)nn1)Cc1occc1)C)C#N	PC-id_16586931	496.648	KIKIUIYFUGGIFW-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-151231
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1sccc1	PC-id_41099992	496.663	PWMXUJODIPBNCX-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-151232
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1sccc1	PC-id_44027194	496.663	LFAYCJJBKOSZAD-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-151233
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1sccc1	PC-id_44028510	496.663	SZCCQNKMNAFVQY-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-151234
c1(sc2c(CCCCC2)n1)NC(=O)[C@H](Cc1c2ccccc2n(C(C)C)c1)NC(=O)OC(C)(C)C	MCULE-7741418564,EMOLS-id_323413969	496.665	OKRYSJVACIUNGS-NRFANRHFSA-N	00000000100000100101000001100010000000000000000000000000	31-01-151235
c1(NC(=O)CSc2nnc(NC(=O)C(C)(C)C)s2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_30110096,MCULE-4349307465,ZINC22_12139842,PC-id_4611221,CoCoCo_5021974	496.666	UTUIYAXWVKZWCB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151236
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)CC(C)C)nn1)C(=O)OCC	PC-id_23734675	496.666	YZRRXCANXICKIP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151237
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)CCCC)nn1)C(=O)OCC	PC-id_23828999	496.666	UINCWVJYSBJVIV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151238
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CCC)nn1)C)C(=O)OCC	PC-id_24022643	496.666	JZDHKMPKKNFMJJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151239
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)C(C)C)nn1)C)C(=O)OCC	PC-id_24074684	496.666	FITADYCPVLRFEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151240
S1CCCN(c2c1sc(c2)Cc1ccccc1)C(=O)CN(CCc1cc(OC)c(OC)cc1)C	PC-id_10097365	496.685	HUMHYPFKWUJGFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151241
CC1=CCc2c(C=C1)n(Cc1ccccc1)c(n2)C(C(C)C)NCCCN(C(=O)c1ccccc1C)C	PC-id_143224863	496.686	DLMJWDSPUQEGJS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-151242
c1(NC(=S)Nc2c(C)nn(Cc3ccccc3C)c2C)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_20168513,TIMTEC472475,PC-id_3271117,MCULE-4674751033,EMOLS-id_4170323,CoCoCo_6800032	496.688	UCRPCZBHLSHVPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151243
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccc(cc1)C)C)C(=O)OCC	PC-id_19679475	496.688	SREQCESJOFZIPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151244
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(Cn2nc(cc2C)C)cc1)C(=O)OCC	PC-id_20168973	496.688	RRLMBNLQKJLKKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151245
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(Cn2nc(cc2C)C)ccc1)C(=O)OCC	PC-id_20171785	496.688	MNGJQIKFSRFEPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151246
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(cccc1)C)C)C(=O)OC	PC-id_19676955	496.688	NSOBXMXGFUNSCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151247
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccc(cc1)C)C)C(=O)OC	PC-id_19679468	496.688	CDGCTVAUWMOGKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151248
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccccc1)C)C(=O)OCC	PC-id_19677980	496.688	LFJKEJWYTWPIKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151249
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(Sc2ccccc2)cccc1)C(=O)OCC	PC-id_19677696	496.708	ZSPIFTPBNHUPFM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151250
Cc1c2-c(c(cc2C=c2ccccc2=C[C+]2C=C(c3c2[c+](ccc(c3)C(C)C)C)C)C)cc(cc1)C(C)C	PC-id_136727790	496.724	ZQZJRAVMUCYAKH-UHFFFAOYSA-N	00000011100000100110000000000010000000000000000000000000	31-01-151251
Cc1c2-c(c(cc2C=c2ccc(=C[C+]3C=C(c4c3[c+](ccc(c4)C(C)C)C)C)cc2)C)cc(cc1)C(C)C	PC-id_136865371	496.724	NGPWZKZMFXGZBT-UHFFFAOYSA-N	00000011100000100110000000000010000000000000000000000000	31-01-151252
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1ccc(c(c1)C(F)(F)F)F	PC-id_69955056,SCHEMBL6992887	496.905	YXDWLHOAIVMJCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151253
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1cccc(c1F)C(F)(F)F	PC-id_69954687,SCHEMBL6991594	496.905	WITYTGHYGKRZKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151254
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1cc(ccc1F)C(F)(F)F	PC-id_69955024,SCHEMBL6992772	496.905	RIHYUERWDJBVRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151255
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1c(F)cccc1C(F)(F)F	PC-id_69954626,SCHEMBL6991376	496.905	ORZKGDTTXAGAIG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151256
Clc1cc(ccc1C(=O)N1CCCCc2c1ccs2)NC(=O)c1c(F)cccc1C(F)(F)F	PC-id_57012750,SCHEMBL8796876	496.905	ZMBCXUAOBDXKDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151257
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2cc(ccc2F)C(F)(F)F)c1	PC-id_57111037	496.905	PWFHFJYDLIIJTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151258
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2cc(cc(F)c2)C(F)(F)F)c1	PC-id_57241781,SCHEMBL8880709	496.905	CJVVYSAAZYVTHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151259
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2c(cc(F)cc2)C(F)(F)F)c1	PC-id_57175569	496.905	FKAOPDCEZSCPLD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151260
Clc1c(C(=O)N2CCCCc3sccc23)ccc(NC(=O)c2c(F)c(ccc2)C(F)(F)F)c1	PC-id_57174117	496.905	NKMQKTRRKDXPHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151261
Clc1sc2c(c1)N(CCCC2)C(=O)c1ccc(cc1)NC(=O)c1ccc(cc1F)C(F)(F)F	PC-id_69954997,SCHEMBL6992664	496.905	PADJSPNRQDBESF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151262
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)c2cc(cc(F)c2)C(F)(F)F)cc1	SCHEMBL6989965,PC-id_69954211	496.905	ZVSAIVVOFNZUCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151263
Clc1sc2CCCCN(c2c1)C(=O)c1ccc(NC(=O)c2c(cc(F)cc2)C(F)(F)F)cc1	SCHEMBL6987519,PC-id_69953261	496.905	UUSRYASUFRMFKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151264
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)CN2CC3C(C2)C3)cc(c1)C(F)(F)F	PC-id_140700484	496.91	UMLXXWUWZOZLKW-UHFFFAOYSA-N	00100010100000110101010000000010000000000000000000000000	31-01-151265
Clc1ccc(cn1)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353544	496.915	KKTDERCTQBJNPB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-151266
Clc1nccc(c1)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353402	496.915	JLKNYMUHGASDOR-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-151267
Clc1c(cc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_55763076	497.027	ZSSFPNSGKRHSSB-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-151268
Clc1ccc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_16924084	497.027	YRZWSNHNXXFDBO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-151269
Clc1ccc(S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)c2sc3CCCCCc3c2)cc1	PC-id_16509402	497.027	OPILRTPCZHOCDD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151270
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(n2)C(CN(CC3)C)C)C(=O)OC)cc1	PC-id_72246281	497.031	RLFDNMVDGVCZLG-UHFFFAOYSA-N	00000010100100000101000000000010000000000000000000000000	31-01-151271
Clc1sc(C(=O)NC2CC(OC(=O)NC)N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_77947792	497.031	RSNJCIRJEQKYCL-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-151272
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(n2)C(CN(CC3)C)C)C(=O)OC)cc1	SCHEMBL13395126,PC-id_59285192	497.031	RLFDNMVDGVCZLG-HDYSRYHKSA-N	00000010100100000101000000000010000000000000000000000000	31-01-151273
Clc1sc(C(=O)N[C@@H]2C[C@H](OC(=O)NC)N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_70893752,SCHEMBL13372932	497.031	RSNJCIRJEQKYCL-ACJLOTCBSA-N	00000010100100000100000000000010000000000000000000000000	31-01-151274
CC1=NOC2=C1C(=CN(CC2(C)C)C(=O)C3=CC(=CC=C3)OCCN4CCOCC4)C(=O)OC(C)C	PC-id_160132854	497.253	RXZVSLIHDNMRJK-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-151293
c1(C(C)NC(=O)C2CCN(CC2)C)nnc2CCN(Cc3ccc(c4ccccc4Cl)o3)CCn12	EMOLS-id_20403264,PC-id_45171169,MCULE-5200318106	497.032	YKHWLDHRIYPFQA-UHFFFAOYSA-N	00000000101010110101100000000010000000000000000000000000	31-01-151275
C[C@@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1ccc(c3ccccc3Cl)o1)CC2	CoCoCo_1136134,PC-id_30853708,CoCoCo_1136137,CoCoCo_1136136,CoCoCo_1136135,ZINC22_11974090	497.032	YKHWLDHRIYPFQA-GOSISDBHSA-N	00000000101010110101100000000010000000000000000000000000	31-01-151276
C[C@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1ccc(c3ccccc3Cl)o1)CC2	PC-id_30853712,CoCoCo_1136138,CoCoCo_1136139,CoCoCo_1136141,ZINC22_11974099,CoCoCo_1136140	497.032	YKHWLDHRIYPFQA-SFHVURJKSA-N	00000000101010110101100000000010000000000000000000000000	31-01-151277
c1(NC(=O)c2ccc(COc3ccccc3Cl)o2)sc2c(CCCCCCCCCC2)c1C#N	SPECS-id_AK-968/41171819,CoCoCo_6926364,ZINC22_2760417,EMOLS-id_5121047,MCULE-5377272870,TIMTEC366808,PC-id_4083671	497.049	OUYNOONRUMDKPH-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-151278
C[C@H](C(F)(F)F)NS(=O)(=O)C1=C2CCCCCN2C(=C1Cl)C(=O)CC3=CC(=NC=C3)Cl	PC-id_161196450	497.055	QMIHHLJIWDJUJC-LLVKDONJSA-N	00000000100000101100000000000010000000000000000000000000	31-01-151279
CC(C(F)(F)F)NS(=O)(=O)C1=C2C=CCCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_155278691	497.06	LQOHAWKRPZVRPL-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-151280
C[C@H](C(F)(F)F)NS(=O)(=O)C1=C2C=CCCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_155278841	497.06	LQOHAWKRPZVRPL-SNVBAGLBSA-N	00000000100000110110000000000010000000000000000000000000	31-01-151281
Clc1sc(OC(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CN(C)C)cc1	PC-id_77947763	497.074	ZBHGUBSGKGOBSN-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-151282
Clc1sc(OC(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CN(C)C)cc1	SCHEMBL13372758,PC-id_70893618	497.074	ZBHGUBSGKGOBSN-CVEARBPZSA-N	00000010100100000100000000000010000000000000000000000000	31-01-151283
CC(C)(C)OC(=O)C1=C(C=C(C=C1)CN2[C@@H](C(=O)NC3=C(C2=O)SC=C3)CC4=CC=CC=N4)Cl	PC-id_164916585	497.118	FMXMASSLDYRUNQ-HXUWFJFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-151284
C1CC2=C(CCC1CC3=CC=C(C=C3)F)SC(=C2C#N)NC(=O)CC4=CC=C(C=C4)S(=O)(=O)N	PC-id_153377627	497.124	YXIWFOQYWMAELO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151285
Ic1c2n(CCCCC2CCOC(=O)C(F)(F)F)c(c1)C(=O)C(F)(F)F	PC-id_76023392	497.171	IGDAOQKJHAGPNB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-151286
Ic1c2n(CCCC[C@@H]2CCOC(=O)C(F)(F)F)c(c1)C(=O)C(F)(F)F	PC-id_53360954	497.171	IGDAOQKJHAGPNB-MRVPVSSYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-151287
CC1=C(C=CC=N1)C(=O)C[C@H]2CC[C@@H](OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160584299	497.196	RCEMQXWISANPHT-QZTJIDSGSA-N	00000000100010101101000000000010000000000000000000000000	31-01-151288
CC1=NC(=CS1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_161056653	497.198	UCVPAANBSHHWQP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151289
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_162143902	497.198	ZKHGGCLMDCBFDQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151290
CN(C1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)CC(=O)CN3C4=C(CCCCC4)C(=N3)C(F)(F)F	PC-id_160424531	497.229	QIGQXGZFSVYFRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151291
CN(C1=CC=CC=C1)C(=O)[C@H](CC2=CC=CC=C2)CC(=O)CN3C4=C(CCCCC4)C(=N3)C(F)(F)F	PC-id_160424530	497.229	QIGQXGZFSVYFRY-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151292
CC1C/C=CC=C/C2=C1OC(=C2)C(C3=NN=NN3C(C)(C)C)N4CCN(CC4)CC5=CC=C(C=C5)C#N	PC-id_154939212	497.29	NNJOIKVLQSMDPS-LZWBOMALSA-N	00000000100010110111000000000010000000000000000000000000	31-01-151294
Brc1ccc(cc1)N(C(=O)CN1CCCn2c(C1=O)cc(n2)C(=O)O)Cc1ccccc1	PC-id_112707422	497.341	LSCVUSNKNDMROZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151295
CC(=O)NNC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccccc1I	GD-id_ZINC44452945	497.35	KUXCLTUIWLINPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151296
Ic1c(C(=O)NCC(=O)NNC(=O)c2sc3CCCCCc3c2)cccc1	PC-id_34035314	497.35	WSMDHEVJESDFTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151297
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(Br)ccc1OC)c2)Cc1ccc(cc1)C	PC-id_16028399,CoCoCo_2544557,MCULE-7441392025,CHEMBL1593627,ZINC22_8608926,EMOLS-id_16324680	497.384	GZFUWNDINQLKDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151298
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(Br)ccc1OC)c2)Cc1cccc(C)c1	EMOLS-id_32633236,PC-id_53086401,MCULE-7794942537	497.384	HZMLRYJUMGEYER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151299
Clc1c(C(=O)NCC(=O)NCC(=O)NNC(=O)c2sc3CCCCCc3c2)ccc(Cl)c1	PC-id_41454237	497.395	PLGFFJHHPDIMGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151300
Brc1ccc(cc1)NC(=O)c1c(/N=Cc2ccc3c(c2)OCO3)sc2c1CCCCC2	CoCoCo_6728185	497.404	RMMPYQLZBPKAEQ-ZMFRSBBQSA-N	00000010100000110101000000001010000000000000000000000000	31-01-151301
Brc1ccc(NC(=O)c2c3CCCCCc3sc2/N=C/c2ccc3OCOc3c2)cc1	PC-id_9653284,TIMTEC429077,ZINC22_15946515,EMOLS-id_46413415,CoCoCo_6728184	497.404	RMMPYQLZBPKAEQ-LGJNPRDNSA-N	00000010100000110101000000001010000000000000000000000000	31-01-151302
c1(c2CCCCCc2sc1N=Cc1ccc2c(OCO2)c1)C(=O)Nc1ccc(cc1)Br	PC-id_4210275,MCULE-9758108715	497.404	RMMPYQLZBPKAEQ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-151303
CCCN1C(c2nnc(o2)NC(=O)NC(=O)[C@@H](NC(=O)NC(=O)NC(=O)NC1=O)CC(=O)O)CC	PC-id_137084525,SCHEMBL18652933	497.419	OZMFKXNAGOFFPL-JAMMHHFISA-N	00000000100000000101000000000010000000000000000000000000	31-01-151304
Brc1c2/C(=C/c3[nH]c4CCCN(CCN5CCCCC5)C(=O)c4c3C)/C(=O)Nc2ccc1	PC-id_25116294,SCHEMBL3130030	497.427	OCNKXWUIMFIHKH-ICFOKQHNSA-N	00000010100010100100000000001010000000000000000000000000	31-01-151305
Brc1c2C(=Cc3[nH]c4CCCN(CCN5CCCCC5)C(=O)c4c3C)C(=O)Nc2ccc1	PC-id_68522571	497.427	OCNKXWUIMFIHKH-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-151306
Brc1cc2C(=Cc3[nH]c4CCCN(CCN5CCCCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68524168	497.427	JKUWJIWDIQBZQB-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-151307
Brc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCCCC5)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL3134395,PC-id_25115374	497.427	JKUWJIWDIQBZQB-CYVLTUHYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-151308
OB([C@@H](NC(=O)[C@@H]1CCCCCCCCCCCC(c2[nH]c(C(=O)N1)cc2)O)Cc1ccccc1)O	PC-id_144626269	497.435	ZUPUXLBXPCKPGT-HSPGVUBUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151309
C/C(=C[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)[C@@H](CCCc2nc(C1)sc2)N)/Br	SCHEMBL18123283,PC-id_122597451	497.446	JPGNORWYQQMIGH-VTWPFVEDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151310
C/C(=C[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)[C@H](CCCc2nc(C1)sc2)N)/Br	SCHEMBL20115423,PC-id_134476953	497.446	JPGNORWYQQMIGH-FRUWJFNLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151311
N[C@@H]1CCc2csc(n2)C[C@@H](/C=C(/Br)C)OC(=O)/C=CC=C(C[C@@H](OC(=O)C1)C)/C	SCHEMBL19430712	497.446	GVNWPQGMFSXSFT-KELLIEDASA-N	00000000100000000111000000000010000000000000000000000000	31-01-151312
Brc1ccc(CC(=O)Nc2sc3CCCCCc3c2C(=O)NCc2ccccc2)cc1	CoCoCo_6620676,ZINC22_18196205,GD-id_ZINC18196205,TIMTEC68694,EMOLS-id_4170665,PC-id_4513861,MCULE-4292844076	497.447	BAMJWFFYZIXICE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151313
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1CC	PC-id_3762026,MCULE-8486291624,TIMTEC256411,EMOLS-id_2765531,ZINC22_8843210,CoCoCo_6728367	497.447	KBRCUSORPINGHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151314
Cc1ccc(C(C)C)c(OCc2n[n+](CC(=O)c3ccc(Br)cc3)c3n2CCCCC3)c1	PC-id_4479481,CoCoCo_5792422,MCULE-6499482609,ZINC22_2684304,GD-id_ZINC02684304	497.447	LWGJWPIJZKVFJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151315
COc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408970367	497.447	GTVYPWSLVVCFBK-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-151316
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br	ZINC22_408971799	497.447	QIMMCGBWUVUZBX-JVWAILMASA-N	00000000100000110100000000000010000000000000000000000000	31-01-151317
O=C(c1n(C)cc2c1OCC(NS2(=O)=O)(C)Cc1nccn1C)Nc1ccc(c(c1)C(F)F)F	SCHEMBL18352869	497.491	GYQOFSAOVXQOKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151318
O(C(C(OC(=O)C)C(OC(=O)C)COC(=O)C)C(OC(=O)C)c1nn2CCCCCc2n1)C(=O)C	PC-id_73321427	497.496	PYFRBWZSUNBHRA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151319
O([C@H]([C@H](OC(=O)C)[C@H](OC(=O)C)COC(=O)C)[C@H](OC(=O)C)c1nn2CCCCCc2n1)C(=O)C	PC-id_16750708	497.496	PYFRBWZSUNBHRA-WLRLJWMZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151320
OCCCN1C(=O)C(C)CCc2c(C1=O)n(CCC(C)C)c(n2)Oc1cccc(c1)OC(F)(F)F	SCHEMBL18834363	497.507	NDMKMJONAZAAIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151321
CCN(CC(=O)c1cc(c2-c1ccccc2)C(=O)OC)CC(=O)c1cc(c2-c1ccccc2)C(=O)OC	PC-id_101134812	497.538	IXKPIWZLAFMOHH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-151322
FC1CN(C1)CCc1nn2c(c1)N(C)C(=O)[C@H](CC2)CCC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL19659241	497.54	ZZCTXVBTNCGHKN-KRWDZBQOSA-N	00001000100000110101000000000010000000000000000000000000	31-01-151323
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)Cc1cc(ccc1)C(F)(F)F)nn2)C	PC-id_134828913	497.554	PFZUDVGLVWZYAA-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151324
C[C@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)Cc1ccccc1C(F)(F)F)nn2)C	PC-id_134828922	497.554	LSLLPEZYRUPFJT-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151325
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)Cc1ccccc1C(F)(F)F)nn2)C	PC-id_134828931	497.554	LSLLPEZYRUPFJT-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151326
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)Cc1cc(ccc1)C(F)(F)F)nn2)C	PC-id_134828937	497.554	PFZUDVGLVWZYAA-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151327
FC(F)(F)c1ccc(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cc1	CHEBI:103753,PC-id_44494083	497.554	DMKVVNQLOZTLAB-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151328
CCn1nc(c2c1CCCC(C2)S(=O)(=O)C)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_140701324	497.574	SDOSHCXXXKOGBP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-151394
FC(F)(F)c1ccc(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cc1	CHEBI:112541,PC-id_44493584	497.554	DMKVVNQLOZTLAB-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151329
FC(F)(F)c1ccc(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cc1	CHEBI:112618,PC-id_44493081	497.554	DMKVVNQLOZTLAB-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151330
FC(F)(F)c1ccc(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cc1	CHEBI:96637,PC-id_44496834	497.554	DMKVVNQLOZTLAB-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151331
FC(F)(F)c1ccc(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cc1	CHEBI:96825,PC-id_44495444	497.554	DMKVVNQLOZTLAB-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151332
FC(F)(F)c1ccc(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cc1	CHEBI:96889,PC-id_44492585	497.554	DMKVVNQLOZTLAB-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151333
FC(F)(F)c1ccc(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cc1	PC-id_44495445,CHEBI:113428	497.554	DMKVVNQLOZTLAB-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151334
FC(F)(F)c1ccc(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cc1	PC-id_44495971,CHEBI:97002	497.554	DMKVVNQLOZTLAB-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151335
FC(F)(F)c1ccc(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cc1	CHEBI:96070,PC-id_44495443	497.554	QAXWADXATYBNKX-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151336
FC(F)(F)c1ccc(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cc1	CHEBI:96195,PC-id_44493585	497.554	QAXWADXATYBNKX-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151337
FC(F)(F)c1ccc(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)cc1	CHEBI:96658,PC-id_44494084	497.554	QAXWADXATYBNKX-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151338
FC(F)(F)c1ccc(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cc1	CHEBI:96757,PC-id_44495970	497.554	QAXWADXATYBNKX-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151339
FC(F)(F)c1ccc(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cc1	PC-id_44492584,CHEBI:113475	497.554	QAXWADXATYBNKX-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151340
FC(F)(F)c1ccc(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cc1	PC-id_44493080,CHEBI:96953	497.554	QAXWADXATYBNKX-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151341
FC(F)(F)c1ccc(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cc1	PC-id_44494942,CHEBI:113362	497.554	QAXWADXATYBNKX-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151342
FC(F)(F)c1ccc(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)cc1	PC-id_44495442,CHEBI:96184	497.554	QAXWADXATYBNKX-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151343
FC(F)(F)c1cc(CN(CC2OCc3n(nnc3)CCCC(=O)N(CC2C)C(CO)C)C)ccc1	PC-id_75036187	497.554	DXNYPMFBKGSJNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151344
FC(F)(F)c1cc(CN(CC2OCc3nnn(CCCC(=O)N(CC2C)C(CO)C)c3)C)ccc1	PC-id_75036182	497.554	KWAFQNIHTBJTFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151345
FC(F)(F)c1cc(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)ccc1	CHEBI:113327,PC-id_44505884	497.554	DXNYPMFBKGSJNE-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151346
FC(F)(F)c1cc(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)ccc1	CHEBI:113389,PC-id_44506072	497.554	DXNYPMFBKGSJNE-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151347
FC(F)(F)c1cc(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)ccc1	CHEBI:96136,PC-id_44505038	497.554	DXNYPMFBKGSJNE-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151348
FC(F)(F)c1cc(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)ccc1	CHEBI:96940,PC-id_44506071	497.554	DXNYPMFBKGSJNE-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151349
FC(F)(F)c1cc(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)ccc1	PC-id_44505888,CHEBI:97005	497.554	DXNYPMFBKGSJNE-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151350
FC(F)(F)c1cc(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)ccc1	PC-id_44506061,CHEBI:96627	497.554	DXNYPMFBKGSJNE-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151351
FC(F)(F)c1cc(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)ccc1	PC-id_44506067,CHEBI:96816	497.554	DXNYPMFBKGSJNE-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151352
FC(F)(F)c1cc(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)ccc1	PC-id_44506073	497.554	DXNYPMFBKGSJNE-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151353
FC(F)(F)c1cc(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)ccc1	CHEBI:96794,PC-id_44506054	497.554	KWAFQNIHTBJTFB-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151354
FC(F)(F)c1cc(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)ccc1	CHEBI:96957,PC-id_44506064	497.554	KWAFQNIHTBJTFB-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151355
FC(F)(F)c1cc(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)ccc1	CHEBI:96978,PC-id_44505885	497.554	KWAFQNIHTBJTFB-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151356
FC(F)(F)c1cc(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)ccc1	PC-id_44505030,CHEBI:113400	497.554	KWAFQNIHTBJTFB-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151357
FC(F)(F)c1cc(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)ccc1	PC-id_44505034,CHEBI:113473	497.554	KWAFQNIHTBJTFB-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151358
FC(F)(F)c1cc(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)ccc1	PC-id_44505234,CHEBI:113490	497.554	KWAFQNIHTBJTFB-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151359
FC(F)(F)c1cc(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)ccc1	PC-id_44506058,CHEBI:95527	497.554	KWAFQNIHTBJTFB-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151360
FC(F)(F)c1cc(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)ccc1	PC-id_44506066,CHEBI:96883	497.554	KWAFQNIHTBJTFB-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151361
FC(F)(F)c1c(CN(CC2OCc3n(nnc3)CCCC(=O)N(CC2C)C(CO)C)C)cccc1	PC-id_75036203	497.554	QZCZRKJJOTUXQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151362
FC(F)(F)c1c(CN(CC2OCc3nnn(CCCC(=O)N(CC2C)C(CO)C)c3)C)cccc1	PC-id_75036269	497.554	ZTOSEQHRKGCZOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151363
FC(F)(F)c1c(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cccc1	CHEBI:131266,PC-id_44505067	497.554	QZCZRKJJOTUXQW-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151364
FC(F)(F)c1c(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cccc1	CHEBI:96531,CHEMBL1875820,PC-id_44505902	497.554	QZCZRKJJOTUXQW-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151365
FC(F)(F)c1c(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cccc1	CHEBI:96965,PC-id_44505660	497.554	QZCZRKJJOTUXQW-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151366
FC(F)(F)c1c(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cccc1	CHEBI:96996,PC-id_44505665	497.554	QZCZRKJJOTUXQW-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151367
FC(F)(F)c1c(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cccc1	PC-id_44505262,CHEBI:96922	497.554	QZCZRKJJOTUXQW-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151368
FC(F)(F)c1c(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cccc1	PC-id_44505663,CHEBI:113524	497.554	QZCZRKJJOTUXQW-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151369
FC(F)(F)c1c(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cccc1	PC-id_44505907,CHEBI:113281	497.554	QZCZRKJJOTUXQW-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151370
FC(F)(F)c1c(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cccc1	PC-id_44505910,CHEBI:112626	497.554	QZCZRKJJOTUXQW-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151371
FC(F)(F)c1c(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cccc1	CHEBI:113296,PC-id_44505662	497.554	ZTOSEQHRKGCZOZ-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151372
FC(F)(F)c1c(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cccc1	CHEBI:95591,PC-id_44505904	497.554	ZTOSEQHRKGCZOZ-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151373
FC(F)(F)c1c(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)cccc1	CHEBI:96805,PC-id_44505661	497.554	ZTOSEQHRKGCZOZ-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151374
FC(F)(F)c1c(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cccc1	CHEBI:96955,PC-id_44505258	497.554	ZTOSEQHRKGCZOZ-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-151375
FC(F)(F)c1c(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)cccc1	PC-id_44505261,CHEBI:113353	497.554	ZTOSEQHRKGCZOZ-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151376
FC(F)(F)c1c(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cccc1	PC-id_44505657,CHEBI:113422	497.554	ZTOSEQHRKGCZOZ-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151377
FC(F)(F)c1c(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cccc1	PC-id_44505901,CHEBI:97008	497.554	ZTOSEQHRKGCZOZ-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151378
FC(F)(F)c1c(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cccc1	PC-id_44505905,CHEBI:96891	497.554	ZTOSEQHRKGCZOZ-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151379
Cc1c(cccc2-c1c[n+](n2)CC1CCN(CC1)C(=O)c1ccc(cc1)C(F)F)C(=O)NCCOC	PC-id_137285150	497.557	MAHIBTAOYCACDZ-UHFFFAOYSA-O	00000010100010110111000000000010000000000000000000000000	31-01-151380
[Na+].S(=O)(=O)(NC(=O)CCCc1c2-c(c(S(=O)(=O)[O-])c1)ccc(cc2)C(C)C)c1ccccc1	CHEMBL45623	497.56	WCGQIZIRHGOVDJ-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-151381
COc1cc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc(OC)c1OC	PC-id_29258371,CoCoCo_1356383,CoCoCo_1356384,MCULE-4940715968,ZINC22_20999142,EMOLS-id_20558539	497.562	FXZCKBDCVSXDRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151382
COc1cc(OC)c(OC)cc1CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1	PC-id_26339260,CoCoCo_1566069,ZINC22_14983972,CoCoCo_1566068,EMOLS-id_20697147,MCULE-1306685135	497.562	DWYJIEYHMPFPGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151383
Fc1cc2/C(=C/c3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)/C(=O)Nc2cc1NC(=O)CO	PC-id_25130625	497.562	SEVSQQXLTSUYOU-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-151384
Fc1cc2C(=Cc3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)C(=O)Nc2cc1NC(=O)CO	PC-id_74390261	497.562	SEVSQQXLTSUYOU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-151385
Cc1ccc(cc1)C(=O)NCCc1nnc2CCN(CCn12)C(=O)c1ccc(cc1)c1ccccc1F	CoCoCo_1163600,EMOLS-id_20423629,MCULE-8211411798,ZINC22_11976476,PC-id_42327162	497.563	GRSPAILQYVGSFG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151386
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)/C=C/c1cc(OC)c(OCC(=O)N)cc1)C)C#N	PC-id_55441361	497.563	KXEDKJNTUZHHPI-PKNBQFBNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151387
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C=Cc1cc(OC)c(OCC(=O)N)cc1)C)C#N	PC-id_76237656	497.563	KXEDKJNTUZHHPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151388
O=C(c1ccccc1c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139710011	497.565	WNBPBDOVJXMDAL-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-151389
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C)CCC(F)(F)F	PC-id_138671869	497.565	RLPUNVGCCFVAOS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151390
O=C(N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C)CCC(F)(F)F	SCHEMBL21042293	497.565	RLPUNVGCCFVAOS-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-151391
CC(C[C@@H]1NC(=O)[C@@H](NC(=O)O)Cc2nnn(c2)CCCNC(=O)CC[C@H](NC1=O)C(=O)S)C	PC-id_118988400	497.568	MJAQNAUOIFPZHP-KKUMJFAQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151392
COP(Oc1ccc(c(c1)C(=N)c1cc2c([nH]1)CC=CC(C=C2)OCCN1CCN(CC1)C)N)C	PC-id_143063560	497.57	JQDQBMKABFGQJM-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-151393
s1c2c(CCCC2)c(c1NC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)C(=O)OC(CC)C	PC-id_19523667	497.574	CXMGTEKWNMSPRX-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-151395
CCc1cccc(c1)CNC[C@@H]([C@@H](NC(=O)c1onc2c1CCCCC2)Cc1cc(F)cc(c1)F)O	PC-id_57474149,SCHEMBL3349225	497.577	BGNWZKFNJDNLCD-UIOOFZCWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151396
CCc1cccc(c1)CNC[C@H]([C@@H](NC(=O)c1onc2c1CCCCC2)Cc1cc(F)cc(c1)F)O	PC-id_57511772,SCHEMBL3349220	497.577	BGNWZKFNJDNLCD-IZZNHLLZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151397
Fc1cc(CC(NC(=O)c2onc3c2CCCCC3)C(O)CNCc2cc(CC)ccc2)cc(F)c1	PC-id_21086905	497.577	BGNWZKFNJDNLCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151398
S(=O)(=O)(N1CCC(CC1)C(=O)NNC(=O)c1sc2CCCCCc2c1)c1c(F)ccc(F)c1	PC-id_24488096	497.578	SZFMFLMBXLZTBJ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-151399
C[C@H]1C[C@@H]([C@@H]([C@H](C(=O)O[C@H]([C@H](CC/C=C(/C(=O)OCc2cn(C1)nn2)C)OC)CO)C)OC)OC	PC-id_137651034	497.582	VNJBUIWOIKJCNI-LFAWDJSKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151400
CC(=O)O/N=C/1CCN(C(=O)c2c1ccn2CCCC[N@@H+]1CC[C@H](CC1)C(=O)c1ccc(cc1)F)C	GLL_PC-id_44209921	497.582	XDHBATJBXAYVHZ-RMLRFSFXSA-O	00000000100010110100000000000010000000000000000000000000	31-01-151401
COC(=O)c1c(oc(c1C(=O)OC)/C=C/c1ccccc1)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102491506	497.582	KAQCXKGCIGUDQU-FYWRMAATSA-N	00000010101000110110000000000010000000000000000000000000	31-01-151402
s1c2CCCCCc2c(c1NC(=O)C(OC(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)C)C#N	PC-id_55420221	497.582	YXIYVIAKOAVUHV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-151403
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)S(=O)(=O)c1ccc(cc1)F)nn2)C	PC-id_134828914	497.583	AWWZZGNOYKSYES-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151404
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)S(=O)(=O)c1ccc(cc1)F)nn2)C	PC-id_134828974	497.583	AWWZZGNOYKSYES-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151405
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)S(=O)(=O)c1ccccc1F)nn2)C	PC-id_134828999	497.583	COJQREDIKGWYGS-ZWOKBUDYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151406
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)S(=O)(=O)c1ccccc1F)nn2)C	PC-id_134829015	497.583	COJQREDIKGWYGS-MBOZVWFJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151407
OC[C@@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)F)C)C	CHEBI:113315,PC-id_44504952	497.583	RIYOEJIKZKGUHQ-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151408
OC[C@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)F)C)C	CHEBI:113323,PC-id_44505345	497.583	HYLLQKBLPQWSSO-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151409
OC[C@@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)F)C)C	CHEBI:113437,PC-id_44504926	497.583	HYLLQKBLPQWSSO-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151410
OC[C@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)F)C)C	CHEBI:113442,PC-id_44505168	497.583	RIYOEJIKZKGUHQ-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151411
OC[C@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)F)C)C	CHEBI:113456,PC-id_44505128	497.583	HYLLQKBLPQWSSO-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151412
OC[C@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)F)C)C	CHEBI:113459,PC-id_44505167	497.583	RIYOEJIKZKGUHQ-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151413
OC[C@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)F)C)C	CHEBI:131270,PC-id_44505546	497.583	RIYOEJIKZKGUHQ-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151414
OC[C@@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)F)C)C	CHEBI:96208,PC-id_44504933	497.583	HYLLQKBLPQWSSO-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151415
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1F)C)C	CHEBI:96814,PC-id_44505379	497.583	JYOVEVCXPRGJRX-UWVAXJGDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151416
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)F)C)C	CHEBI:96829,PC-id_44504930	497.583	HYLLQKBLPQWSSO-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151417
OC[C@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1F)C)C	CHEBI:97010,PC-id_44504955	497.583	JYOVEVCXPRGJRX-HLIPFELVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151418
OC[C@@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)F)C)C	PC-id_44504929,CHEBI:113423	497.583	HYLLQKBLPQWSSO-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151419
OC[C@@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)F)C)C	PC-id_44504956,CHEBI:113492	497.583	RIYOEJIKZKGUHQ-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151420
OC[C@@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1F)C)C	PC-id_44504958,CHEBI:96380	497.583	JYOVEVCXPRGJRX-FUHIMQAGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151421
OC[C@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1F)C)C	PC-id_44504965,CHEBI:95584	497.583	JYOVEVCXPRGJRX-QKLQHJQFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151422
OC[C@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)F)C)C	PC-id_44505137,CHEBI:96638	497.583	HYLLQKBLPQWSSO-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151423
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)F)C)C	PC-id_44505161,CHEBI:113311	497.583	RIYOEJIKZKGUHQ-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151424
OC[C@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1F)C)C	PC-id_44505171,CHEBI:96872	497.583	JYOVEVCXPRGJRX-SQGPQFPESA-N	00000000100000110101000000000010000000000000000000000000	31-01-151425
OC[C@@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1F)C)C	PC-id_44505369,CHEBI:113367	497.583	JYOVEVCXPRGJRX-ZWOKBUDYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151426
OC[C@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1F)C)C	PC-id_44505370,CHEBI:113332	497.583	JYOVEVCXPRGJRX-MBOZVWFJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151427
OC[C@@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1F)C)C	PC-id_44505965,CHEBI:96975	497.583	JYOVEVCXPRGJRX-ABSDTBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151428
OC[C@@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)F)C)C	PC-id_44505969,CHEBI:113513	497.583	RIYOEJIKZKGUHQ-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151429
OC[C@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1cccc(c1)F)C)C	CHEBI:110530,PC-id_44505132	497.583	KYGBGAWZQIYPEA-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151430
OC[C@@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)F)C)C	CHEBI:113406,PC-id_44505968	497.583	OOPGLCWBUZVAMU-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151431
OC[C@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)F)C)C	CHEBI:95712,PC-id_44505963	497.583	OOPGLCWBUZVAMU-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151432
OC[C@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1cccc(c1)F)C)C	CHEBI:96422,PC-id_44505337	497.583	KYGBGAWZQIYPEA-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151433
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1cccc(c1)F)C)C	CHEBI:96802,PC-id_44505347	497.583	KYGBGAWZQIYPEA-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151434
OC[C@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1F)C)C	CHEBI:96882,PC-id_44505958	497.583	MFABSAUNVKQXNQ-SQGPQFPESA-N	00000000100000110101000000000010000000000000000000000000	31-01-151435
OC[C@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)F)C)C	CHEBI:96960,PC-id_44505175	497.583	OOPGLCWBUZVAMU-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151436
OC[C@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1F)C)C	PC-id_44504948,CHEBI:113463	497.583	MFABSAUNVKQXNQ-QKLQHJQFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151437
OC[C@@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1F)C)C	PC-id_44504967,CHEBI:96943	497.583	MFABSAUNVKQXNQ-ZWOKBUDYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151438
OC[C@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1cccc(c1)F)C)C	PC-id_44505127,CHEBI:113444	497.583	KYGBGAWZQIYPEA-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151439
OC[C@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)F)C)C	PC-id_44505158,CHEBI:113507	497.583	OOPGLCWBUZVAMU-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151440
OC[C@@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1cccc(c1)F)C)C	PC-id_44505350,CHEBI:113468	497.583	KYGBGAWZQIYPEA-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151441
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)F)C)C	PC-id_44505367,CHEBI:113336	497.583	OOPGLCWBUZVAMU-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151442
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C)cc1)C(=O)N	PC-id_23940394	497.63	RXIZOJFLHUWDJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151511
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S(=O)(=O)(N(CC1OCc2nnn(CCCC(=O)N(CC1C)C(CO)C)c2)C)c1cccc(F)c1	PC-id_75036130	497.583	HYLLQKBLPQWSSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151450
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S(=O)(=O)(N(CC1OCc2nnn(CCCC(=O)N(CC1C)C(CO)C)c2)C)c1c(F)cccc1	PC-id_75036144	497.583	JYOVEVCXPRGJRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151452
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S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1c(F)cccc1	PC-id_44505742	497.583	MFABSAUNVKQXNQ-ABSDTBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151458
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c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(Cc3c(OC)cc(cc3OC)OC)CCn12	PC-id_45191212,MCULE-5806832640,EMOLS-id_20489899	497.587	LKRBDZXXQZZJGC-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-151465
CC(CC(C(=O)NC1Cc2cn[nH]c2CCCCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730616,SCHEMBL21109771	497.587	MLGPILJTNFWOTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151466
CC(CC(C(=O)NC1CCc2cn[nH]c2CCCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21111301,PC-id_138732012	497.587	ZGEUQJIIDDTIRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151467
CC(CC(C(=O)NC1CCCc2cn[nH]c2CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138731222,SCHEMBL21110382	497.587	CCNXBURMZICIIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151468
CC(CC(C(=O)NC1CCCCc2[nH]ncc2CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730410,SCHEMBL21109564	497.587	AIXZGZSTDISSFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151469
CC(OC(=O)C1=CN(CC(c2c1n(C)nn2)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659382	497.587	AUOQOJFZQASNLR-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-151470
CC(OC(=O)C1=CN(CC(c2c1nnn2C)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659351	497.587	RXTDXQYBZQSKJZ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-151471
COc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc(OC)c1OC	CoCoCo_1295280,PC-id_42345312,ZINC22_12000335,CoCoCo_1295279	497.587	ZXQSNBUHDOYFPT-LJQANCHMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-151472
COc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc(OC)c1OC	PC-id_42345315,CoCoCo_1295282,ZINC22_12000338,CoCoCo_1295281	497.587	ZXQSNBUHDOYFPT-IBGZPJMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-151473
COc1cc(OC)c(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c(OC)c1	CoCoCo_1256686,ZINC22_11997488,PC-id_42342358,CoCoCo_1256685	497.587	LKRBDZXXQZZJGC-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-151474
COc1cc(OC)c(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c(OC)c1	CoCoCo_1256687,CoCoCo_1256688,ZINC22_11997491,PC-id_42342362	497.587	LKRBDZXXQZZJGC-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-151475
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cc(OC)ccc2O)CC3)o1	PC-id_26322811,ZINC22_14961643,CoCoCo_1446613,CoCoCo_1446614	497.587	KGNUAWCVPVMVDD-NRFANRHFSA-N	00000000101000110101000000000010000000000000000000000000	31-01-151476
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cc(OC)ccc2O)CC3)o1	ZINC22_14961647,CoCoCo_1446611,CoCoCo_1446612,PC-id_26322815	497.587	KGNUAWCVPVMVDD-OAQYLSRUSA-N	00000000101000110101000000000010000000000000000000000000	31-01-151477
O1C(CCC1)CNC(=O)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)CCOC	PC-id_46049623	497.587	AXSXMOAHKDINPX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-151478
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1nc(sc1)c1cc(OC)c(OC)cc1)C#N	PC-id_33118902	497.587	MFOOFSVXPKNCSE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151479
COc1cc(CN2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)ccc1OCc1ccccc1	ZINC22_20776742,MCULE-6987752670,EMOLS-id_20511045,CoCoCo_1287127,CoCoCo_1287126,PC-id_29150547	497.588	XJZOMMGOMRAGKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151480
CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCn2cc(CNC1=O)nn2	EMOLS-id_289958959,MCULE-4882486709	497.59	FZBLLRSPIMPSEU-UIFIKXQLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151481
CC(C)[C@H]1CN(CC(=O)N[C@@H](Cc2ccccc2)c2nc(C)nn2CC(=O)N[C@H](C)C(=O)N1)C(=O)C	PC-id_135097159,EMOLS-id_317366411,ZINC22_1704316932,MCULE-2521531601	497.59	CGNRTRMGHKPJHM-TYCQWZJGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151482
O=C1NC(C(=O)NC(Cc2ccccc2)c2nnn(C(C(=O)NC1CCCCNC(=O)C)C)c2)CC	PC-id_75252824	497.59	JOUFIXREHAZNKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151483
O=C1N[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nnn([C@@H](C(=O)N[C@H]1CCCCNC(=O)C)C)c2)CC	PC-id_46915157	497.59	JOUFIXREHAZNKS-SEVLPDGMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151484
O=C1NC(=NCc2n(Cc3ccccc3)cnc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_10577238	497.59	URBARSZVPGADFG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-151485
CC(=O)N1CCN(CC1)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1C#N	PC-id_134810919	497.591	XSLSEZLWATXONN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151486
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_19654989	497.597	BWONUFTYSUHILD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-151487
O=C(Cc1noc(n1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	PC-id_138671097	497.602	ALONDAKJMLVBLB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151488
O=C(Cc1noc(n1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	SCHEMBL21041465	497.602	ALONDAKJMLVBLB-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151489
[Na+].S(=O)(=O)(c1c2-c(c(c1)CCCCCS(=O)(=O)Nc1ccccc1)ccc(cc2)C(C)C)[O-]	CHEMBL47605	497.603	HIOSSIKMKZHRLP-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-151490
CCCCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C(/c1cc(F)cc(c1N)NC=O)C=O)CC	PC-id_145511573	497.605	HOCJWGJXVPCBEQ-CPNJWEJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151491
O=C(OC(C)(C)C)NCc1ccc(cc1F)C(=O)N1Cc2cnn(c2NC(=C)C1C(C=C(C)C)C)C	PC-id_143188625	497.605	ZKCUMQKTNNAHEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151492
N#Cc1c(NC(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)sc2c1CCCCC2	EMOLS-id_43689168,CoCoCo_2819845,PC-id_16286453,ZINC22_9590984,MCULE-1136402551	497.63	QBFKDIIYVRYDLK-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-151510
Cc1ccccc1c1cccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1	ChEMBL-DNDi_CHEMBL23647146,MCULE-2749296103,CoCoCo_1239456,CoCoCo_1239457,ZINC22_20452870,PC-id_28955933,EMOLS-id_20477751	497.606	HCBYVDOEQODWRY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151493
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)C(=Cc1c(n(CCC)c(c1)C)C)C#N)C(=O)OC	PC-id_4595704	497.606	ZBMUGYHAECJSMP-UHFFFAOYSA-N	00000000110000000100000000000010000000000000000000000000	31-01-151494
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)/C(=C/c1c(n(CCC)c(c1)C)C)/C#N)C(=O)OC	PC-id_6159842	497.606	ZBMUGYHAECJSMP-CPNJWEJPSA-N	00000000110000000100000000000010000000000000000000000000	31-01-151495
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(N1C(=O)C2C(CC=CC2)C1=O)CC(C)C)C#N	PC-id_42965735	497.606	DSJYTKJUFYHUOX-UHFFFAOYSA-N	00000010100011000100000000000110000000000000000000000000	31-01-151496
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)CC=C)C#N	PC-id_5090646	497.608	FRASINTWGJLVAG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151497
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(F)cccc1)CC=C)C#N	PC-id_24374596	497.608	SZSSPNDXBYOOQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151498
c1(nc(C)c(c(=O)n1CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C)n1c(C)cc(C)n1	MCULE-8555346947,PC-id_26843631,CoCoCo_5167724,EMOLS-id_22739798	497.61	NTMPPPGDJPJTNS-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-151499
CCOC(=O)c1c(NC(=O)Cn2c(=O)cc(nc2n2nc(cc2C)C)CC)sc2c1CCCCC2	EMOLS-id_5697111,ChEMBL-DNDi_CHEMBL2093447,PC-id_16896673,CoCoCo_5087291,MCULE-5174558265	497.61	HQSDNFIXMLBWRK-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-151500
O=C(NCc1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)c1c(OC)cccc1	PC-id_42171862	497.611	FOKYFTDRVNSKGY-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151501
CC(C)CN(C(=O)CSc1nnc2n1CCCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	PC-id_16357421,EMOLS-id_11801894,CoCoCo_3081840,ZINC22_9499277,MCULE-7272790465,CoCoCo_3081839	497.613	FQUFYBBDIWAJKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151502
Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4cn(CCC(F)(F)F)nc4CC3)CC2)s1	BindingDB-id_989553,SCHEMBL21040602	497.62	MRTGFGPKFPAWBT-KESTWPANSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151503
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)cn(n2)CCC(F)(F)F	PC-id_138670266	497.62	MRTGFGPKFPAWBT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151504
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)cnn2CCC(F)(F)F	PC-id_138671430	497.62	HXJQWTUBXQCINX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151505
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)cnn2CCC(F)(F)F	SCHEMBL21041813	497.62	HXJQWTUBXQCINX-KESTWPANSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151506
COc1ccc(cc1)CN1C(=O)C=C(c2c(C1C(=O)NC1CCCCC1)n(cc2)Cc1ccccc1)C	PC-id_102432910	497.628	WMMJBMXRCTYFJG-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-151507
CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)C(C)Sc1nc(cc(=O)[nH]1)c1ccccc1	PC-id_136630443	497.63	OLNTUIRCFFWVPG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151508
CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)c2ccccc2)sc2CCCCCc12	GD-id_ZINC09599763,EMOLS-id_5523565,CoCoCo_5058692,PC-id_16798823,ZINC22_9599763,MCULE-2395647194	497.63	VSRZDQKQQAOFDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151509
s1c2c(CCCCC2)c(c1NC(=O)c1c(NS(=O)(=O)c2ccc(cc2)C)cccc1)C(=O)NC	PC-id_40886688	497.63	DNOLAVRKNNBPLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151512
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c2ccccc2)c(=O)cc(n1)C)C(=O)OCC	PC-id_4057629	497.63	MWKUAMRGANXEEK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151513
c1(C(CC(C)C)NC(=O)c2ccco2)nnc2CCN(CC(c3ccccc3)c3ccccc3)CCn12	MCULE-2316938210,PC-id_45176205,EMOLS-id_20424953	497.631	QMRMFFKGONDDSW-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-151514
CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(CC(c1ccccc1)c1ccccc1)CC2	PC-id_42166914,ZINC22_11786643,CoCoCo_1165598,CoCoCo_1165599	497.631	QMRMFFKGONDDSW-AREMUKBSSA-N	00000000101000110101000000000010000000000000000000000000	31-01-151515
CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(CC(c1ccccc1)c1ccccc1)CC2	ZINC22_11786644,CoCoCo_1165600,CoCoCo_1165601,PC-id_42166916	497.631	QMRMFFKGONDDSW-SANMLTNESA-N	00000000101000110101000000000010000000000000000000000000	31-01-151516
Cc1occc1c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1C[C@@H]1CCCO1	CoCoCo_6837666,ZINC22_20296020,PC-id_28824233	497.633	JILABXWGHFVTJN-INIZCTEOSA-N	00000010101000000101100000000010000000000000000000000000	31-01-151517
Cc1occc1c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1C[C@H]1CCCO1	CoCoCo_6837667,ZINC22_20296024,PC-id_28824238	497.633	JILABXWGHFVTJN-MRXNPFEDSA-N	00000010101000000101100000000010000000000000000000000000	31-01-151518
Cc1occc1c1nnc(SCC(=O)Nc2sc3CCCCCc3c2C#N)n1CC1CCCO1	TIMTEC238896,EMOLS-id_4170853,MCULE-8238372605,PC-id_17378130	497.633	JILABXWGHFVTJN-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-151519
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCCC3)nnc1c1cccnc1	MCULE-8556572453,PC-id_5303233,ZINC22_15022754,TIMTEC192492,EMOLS-id_5065481	497.633	HIRGPBLXOYNTAI-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-151520
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1	CoCoCo_4226622,PC-id_41166502,ZINC22_35392663	497.633	DHZGXPGBWLSMME-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151521
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1	PC-id_41166498,CoCoCo_4226623,ZINC22_35392662	497.633	DHZGXPGBWLSMME-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151522
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	CoCoCo_4234147,PC-id_25372758,ZINC22_12581821	497.633	OGMWIQDKXIBKCT-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151523
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	PC-id_25372763,ZINC22_12581829,CoCoCo_4234148	497.633	OGMWIQDKXIBKCT-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151524
n1(CC2CCCO2)c(SCC(=O)Nc2sc3c(CCCCCC3)c2C#N)nnc1c1ccco1	EMOLS-id_4170857,MCULE-7839562811,TIMTEC405636,PC-id_17378052	497.633	QMDUSFKNUUDFGL-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-151525
N#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1sc2c(c1C#N)CCCCC2)C	MCULE-7698120951,EMOLS-id_43982974,PC-id_16386061	497.633	OGMWIQDKXIBKCT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151526
N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	MCULE-5866789514,CoCoCo_3589455,PC-id_16323619,ZINC22_23823194,EMOLS-id_48936227	497.633	HGXMOISBCWWGMH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151527
N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)cc1	ZINC22_23883298,CoCoCo_4134334,EMOLS-id_43966324,PC-id_16336039,MCULE-9830264300	497.633	VUSWGCIRDVIVMG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151528
N#Cc1c(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2C#N)C)sc2c1CCCCC2	PC-id_16337275,EMOLS-id_11777927,MCULE-8898917824	497.633	DHZGXPGBWLSMME-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151529
N#Cc1c(NC(=O)CSc2nnc(c3ccco3)n2C[C@@H]2CCCO2)sc2c1CCCCCC2	PC-id_28977857,ZINC22_20479736,CoCoCo_6837967	497.633	QMDUSFKNUUDFGL-INIZCTEOSA-N	00000010101000000101100000000010000000000000000000000000	31-01-151530
N#Cc1c(NC(=O)CSc2nnc(c3ccco3)n2C[C@H]2CCCO2)sc2c1CCCCCC2	ZINC22_20479738,CoCoCo_6837966,PC-id_28977859	497.633	QMDUSFKNUUDFGL-MRXNPFEDSA-N	00000010101000000101100000000010000000000000000000000000	31-01-151531
s1c2c(CCCCC2)c(c1NC(=O)c1sc2nc(N)c(c(C(C)C)c2c1N)C#N)C(=O)OCC	PC-id_24135305	497.633	WVSRYUIZJADAEG-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-151532
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(C(C)C)c1C#N)C#N)C(=O)OC	PC-id_23746203	497.633	YPLGJAKMDVEYLS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-151533
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(OC)cc1)C#N	PC-id_17305314	497.633	INSGQMLHFVPAKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151534
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cccnc1)CC=C)C(=O)OCC	PC-id_17303600	497.633	UFBZUUIMWCLKNQ-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-151535
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccncc1)CC=C)C(=O)OCC	PC-id_20126977	497.633	FBCMIELKNLKOLT-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-151536
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC)C#N	PC-id_17301808	497.633	JDHJKKNQRXNNQJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151537
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ncccc1)CC=C)C(=O)OCC	PC-id_17303680	497.633	PTWAFUJNFIUXAC-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-151538
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)C)C#N	PC-id_19640097	497.633	JZRZPCAYDFZUHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151539
s1c2CCCCCCc2cc1C(=O)NNC(=O)c1ccc(NC(=O)CSc2n(ccn2)C)cc1	PC-id_26923012	497.633	VKWQVAMHKQGBAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151540
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(N)c(c(C(C)C)c2c1N)C#N)C(=O)OC	PC-id_23742924	497.633	PAJPTMQDHLJAAJ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-151541
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccncc1)CC=C)C(=O)OC	PC-id_20126958	497.633	KFGYNHDQFSJXEV-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-151542
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)C)C#N	PC-id_19730906	497.633	ZHTYZIBVCNMZJH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151543
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ncccc1)CC=C)C(=O)OC	PC-id_17303669	497.633	UICLFJLDEKFWKU-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-151544
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)C)C#N	PC-id_17305296	497.633	XVZCRMKOTLJFDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151545
CN/N=Cc1cccc(c1)NC1=NC(=Nc2c(C1)scc2)Nc1cccc(c1)Sc1cccnc1	PC-id_142265286	497.638	CDRHIDOMIHYHHJ-MWLSYYOVSA-N	00000000100000111111000000000010000000000000000000000000	31-01-151546
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C#CC(=O)O[C@@H](C2)/C=C(C)/C=C/C=C/COC)/C)C)c1	PC-id_73055576	497.646	MVWJRTNXTCBGHP-JKDMAFNCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151547
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(CCCC)c1)cccc(c2)C(C)C	PC-id_10051588	497.646	VXKNHXCZTOLLLO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151548
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(CCCC)c1)ccc(C(C)C)cc2	PC-id_10006072	497.646	AEIQRDYJZAXSGY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151549
CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCOCC1)CCCCC3)/C(=O)N2	PC-id_60113740,SCHEMBL6692770	497.649	XSPRKXKNSIDDQJ-NKFKGCMQSA-N	00000010100010100101000000001010000000000000000000000000	31-01-151550
S(=O)(=O)(c1cc2C(=Cc3[nH]c4c(c3CCCN3CCOCC3)CCCCC4)C(=O)Nc2cc1)CC	PC-id_72651829	497.649	XSPRKXKNSIDDQJ-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-151551
COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCCCC2	EMOLS-id_3158240,CoCoCo_3574113,ZINC22_35526390,PC-id_2399440,MCULE-7611687036	497.651	XTGJRNTZABVGQV-UHFFFAOYSA-N	00000000100110000101000000000010000000000000000000000000	31-01-151552
S(=O)(=O)(N1CCCC1)c1ccc(S(=O)(=O)NNC(=O)c2sc3CCCCCCc3c2)cc1	PC-id_24421458	497.651	DXMGXEYTOCBNJF-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-151553
c1(C(CC(C)C)NC(=O)c2ccc(COC)o2)nnc2CCN(Cc3ccc(cc3)SC)CCn12	EMOLS-id_20628891,PC-id_45223425,MCULE-6638930956	497.653	RCYGVPXXCISDLO-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-151554
COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(SC)cc2)CC3)o1	CoCoCo_1461551,PC-id_26327797,ZINC22_14969648,CoCoCo_1461550	497.653	RCYGVPXXCISDLO-JOCHJYFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-151555
COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2ccc(SC)cc2)CC3)o1	CoCoCo_1461552,PC-id_26327793,ZINC22_14969644,CoCoCo_1461553	497.653	RCYGVPXXCISDLO-QFIPXVFZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-151556
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(SCc2nc(sc2)C)cccc1)C#N	PC-id_16607084	497.653	QEQNVGCBJZPFII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151557
s1c2c(CCCCC2)c(c1NC(=O)CCN1CC[NH+](CC1)Cc1onc(n1)c1ccsc1)C#N	PC-id_30635234	497.656	ZWVHRRHPBUPCGY-UHFFFAOYSA-O	00000000100110000101100000000010000000000000000000000000	31-01-151558
s1c2c(CCCCC2)c(c1NC(=O)[C@@H](N1CC[NH+](CC1)Cc1onc(n1)c1ccsc1)C)C#N	PC-id_51621374	497.656	UJTRELXEWLOKJP-INIZCTEOSA-O	00000000100110000101100000000010000000000000000000000000	31-01-151559
s1c2c(CCCCC2)c(c1NC(=O)[C@H](N1CC[NH+](CC1)Cc1onc(n1)c1ccsc1)C)C#N	PC-id_51621376	497.656	UJTRELXEWLOKJP-MRXNPFEDSA-O	00000000100110000101100000000010000000000000000000000000	31-01-151560
s1c2c(CCCCC2)c(c1NC(=O)C(N1CC[NH+](CC1)Cc1onc(n1)c1ccsc1)C)C#N	PC-id_75687923	497.656	UJTRELXEWLOKJP-UHFFFAOYSA-O	00000000100110000101100000000010000000000000000000000000	31-01-151561
c1(NC(=O)c2ccc(cc2)OC2CCCC2)sc2c(CCCCCCCCCC2)c1C(=O)OCC	CoCoCo_6792637,SPECS-id_AK-968/41017330,ZINC22_8454360,TIMTEC199408,PC-id_5013766,MCULE-2394697670,EMOLS-id_4170877	497.689	HQLWJZGSPUFYMK-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-151562
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC=C)C#N	PC-id_19721721	497.699	XZAWBFOKVMOQSO-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-151563
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC=C)C#N	PC-id_19719498	497.699	FCVJNUVEXPXRNH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-151564
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC=C)C#N	PC-id_19720270	497.699	WHSJEQFBPHOIAP-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-151565
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC=C)C#N	PC-id_19718734	497.699	LLUIDGHJPFLRDJ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-151566
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC=C)C#N	PC-id_19721032	497.699	VOYSEHQMVJRLIT-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-151567
COc1ccc(cc1)S(=O)(=O)N1CCc2c([C@H]([C@@H]1C(=O)O)O[Si](C(C)(C)C)(C)C)ccs2	PC-id_139966463	497.7	UVUNXPCRIYSNCC-WOJBJXKFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151568
COc1ccc(cc1)S(=O)(=O)N1CCc2c([C@H]([C@H]1C(=O)O)O[Si](C(C)(C)C)(C)C)ccs2	PC-id_139966477	497.7	UVUNXPCRIYSNCC-VQTJNVASSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151569
S(=O)(=O)(N1C[C@@H](O[Si](C(C)(C)C)(C)C)c2c(scc2)C[C@H]1C(=O)O)c1ccc(OC)cc1	PC-id_57210893	497.7	REOLOEKPIVBOBU-RBUKOAKNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151570
S(=O)(=O)(N1C[C@H](O[Si](C(C)(C)C)(C)C)c2c(scc2)C[C@H]1C(=O)O)c1ccc(OC)cc1	PC-id_57322229	497.7	REOLOEKPIVBOBU-OALUTQOASA-N	00000000100000110100000000000010000000000000000000000000	31-01-151571
S(=O)(=O)(N1C(C(O[Si](C(C)(C)C)(C)C)c2c(scc2)CC1)C(=O)O)c1ccc(OC)cc1	PC-id_76491885	497.7	UVUNXPCRIYSNCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151572
S(=O)(=O)(N1CC(O[Si](C(C)(C)C)(C)C)c2c(scc2)CC1C(=O)O)c1ccc(OC)cc1	PC-id_76493223	497.7	REOLOEKPIVBOBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151573
S(=O)(=O)(N1[C@@H]([C@@H](O[Si](C(C)(C)C)(C)C)c2c(scc2)CC1)C(=O)O)c1ccc(OC)cc1	PC-id_57202202	497.7	UVUNXPCRIYSNCC-PMACEKPBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151574
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)C/C=C/c1ccccc1)C(=O)OCC	PC-id_19655408	497.716	FWOCOSQJEAYHDE-JLHYYAGUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151575
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)CC=Cc1ccccc1)C(=O)OCC	PC-id_73630922	497.716	FWOCOSQJEAYHDE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151576
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)CC=C)C#N	PC-id_17303392	497.719	ISAOBOABUIKILW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151577
CC(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC(C)(C)C	SCHEMBL19553707	497.736	KVRWRXNGLJCSRN-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-151578
C[C@@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC(C)(C)C	SCHEMBL19553636	497.736	KVRWRXNGLJCSRN-HXUWFJFHSA-N	00000000100010101100000000000010000000000000000000000000	31-01-151579
O=C1N(CCCc2c1c(C)c(s2)CCC1CCN(CC1)CC(C)(C)C)Cc1c(C)cc([nH]c1=O)C	SCHEMBL19553690	497.736	POGMKBNKQQOGTJ-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-151580
OC(=O)c1cccc2-c(c1)c(cc2C(=O)c1ccccc1)C(=O)c1ccc(cc1)C(Cl)(Cl)Cl	PC-id_145990483	497.754	ACOPUHNEDCBTDC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151581
Brc1c(OCC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)ccc(Cl)c1	PC-id_4037378	497.79	NNEIBSINEHVBFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151582
C/C=CC(=C/C)Cn1c(Br)c(c2=CC(=C(CC=c12)Cl)OCCCC(=O)O)CC(N)C	PC-id_143459848	497.853	VRCWKTLLKYIFMP-YLRVAXCYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-151583
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2C[C@@H]3C[C@H]2CN3)cc(c1)C(F)(F)F	PC-id_140700401	497.898	QFSQXBJLCVKALG-IRXDYDNUSA-N	00000010100000110101000000000110000000000000000000000000	31-01-151584
Clc1c(Cn2nc(c(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)c2C)C)ccc(F)c1	PC-id_19523769	497.916	USTOBVNOXWYMAD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151585
N#Cc1c(NC(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc2c1CCCCC2	ZINC22_13058549,CoCoCo_3579890,PC-id_25692881,CoCoCo_3579891,MCULE-6732523179,EMOLS-id_24163220	497.964	LTFGRUIPSDGSNJ-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-151586
CC1CCc2c(cnn2C(=NC2CC2)NC1=NCCOc1ccc(cc1)Cl)Cc1c([nH]c(=O)[nH]1)O	PC-id_137046311	497.977	OLDOYQGOAYKPOJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-151587
Clc1c(nc(n2nc(cc2C)C)cc1)C(=O)OC(C(=O)Nc1sc2CCCCCc2c1C#N)C	PC-id_55419904	497.997	RNWWECHEZOICOK-UHFFFAOYSA-N	00000000100000101101100000000010000000000000000000000000	31-01-151588
Clc1sc(C(=O)NC2CC(OC(=O)OC)N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_77947776	498.015	UUUXMQFEUXBETI-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-151589
Clc1sc(C(=O)N[C@@H]2C[C@H](OC(=O)OC)N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_70893687,SCHEMBL13372852	498.015	UUUXMQFEUXBETI-ACJLOTCBSA-N	00000010100100000100000000000010000000000000000000000000	31-01-151590
NC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CCCCC2	EMOLS-id_43822201,ZINC22_9723872,MCULE-5454380217,CoCoCo_3250491,PC-id_16327812	498.015	SOPKKFPDQMUKOR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151591
CC/C=C/C=C(/n1nc(c(c1C)C(=O)Nc1[nH]c2c(n1)/C=C/OC(O/C(=C/2)/C)(C)C)C)C=C(Cl)/C	PC-id_145689588	498.017	MBKJGYFIEBMYBH-RHZIMNTASA-N	00000000100000000111000000000010000000000000000000000000	31-01-151592
COc1ccc(CN2CCc3nnc(C(C)NC(=O)CCc4ccccc4)n3CC2)c(Cl)c1OC	ChEMBL-DNDi_CHEMBL25713102,PC-id_45190998,MCULE-4723815495,EMOLS-id_20488871	498.017	VSBJGIAEADKKMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151593
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)c(Cl)c1OC	CoCoCo_1255259,ZINC22_20598674,PC-id_29084970,CoCoCo_1255258	498.017	VSBJGIAEADKKMF-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151594
COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)c(Cl)c1OC	PC-id_29084971,CoCoCo_1255260,CoCoCo_1255261,ZINC22_20598675	498.017	VSBJGIAEADKKMF-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151595
Clc1ccc(S(=O)(=O)NCCCCc2c3-c(c(S(=O)(=O)O)[14cH]2)ccc(C(C)C)cc3)cc1	PC-id_11755627	498.032	ONMQCKPUEFDWIX-HRBFZRADSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151596
Clc1ccc(c2ccc(SC3C(C(CC3)Cn3nc4n(c3=O)CCCCC4)C(=O)O)cc2)cc1	PC-id_85355595	498.037	XJZZRJAENCZOAK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-151597
O=C(O)[C@@H]1[C@@H](Sc2ccc(c3ccc(Cl)cc3)cc2)CC[C@H]1Cn1nc2n(c1=O)CCCCC2	CHEMBL127138,BindingDB_PC-id_10983887,PC-id_10983887	498.037	XJZZRJAENCZOAK-APTRMMRNSA-N	00000010100000110101100000000010000000000000000000000000	31-01-151598
Clc1sc(c2oc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)cc1	PC-id_4116769	498.038	AYEGNNRHMVDLTC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-151599
Clc1c(c2oc(CN3CCn4c(nnc4CC3)[C@H](NC(=O)C3CC[NH+](CC3)C)C)cc2)cccc1	PC-id_30853707	498.04	YKHWLDHRIYPFQA-GOSISDBHSA-O	00000000101010110101100000000010000000000000000000000000	31-01-151600
Clc1c(c2oc(CN3CCn4c(nnc4CC3)[C@@H](NC(=O)C3CC[NH+](CC3)C)C)cc2)cccc1	PC-id_30853711	498.04	YKHWLDHRIYPFQA-SFHVURJKSA-O	00000000101010110101100000000010000000000000000000000000	31-01-151601
Clc1c(c2oc(CN3CCn4c(nnc4CC3)C(NC(=O)C3CC[NH+](CC3)C)C)cc2)cccc1	PC-id_74610574	498.04	YKHWLDHRIYPFQA-UHFFFAOYSA-O	00000000101010110101100000000010000000000000000000000000	31-01-151602
CC(C(F)(F)F)NS(=O)(=O)C1=C2CCCCCN2C(=C1Cl)C(=O)NC3=CC(=NC=C3)Cl	PC-id_155278754	498.051	ULNIFGYOMBELAT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-151603
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2c(C(CN(CC2)C)C)c1)C(=O)OC	PC-id_77997466	498.058	PZUUGODMQFJALI-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-151604
ClC1=CCC(S1)C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1sc2c(C(CN(CC2)C)C)c1)C(=O)OC	PC-id_71055943,SCHEMBL14044985	498.058	PZUUGODMQFJALI-SCOKMKKDSA-N	00000011100000000100000000000010000000000000000000000000	31-01-151605
Clc1c(cc(S(=O)(=O)N(C(C)C)C)cc1)C(=O)NNC(=O)c1sc2CCCCCCc2c1	PC-id_46808863	498.058	IBENOKQPCUOIFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151606
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c([C@@H](OC)CN(CC3)C)c2)COC)cc1	PC-id_59285224,SCHEMBL3308410	498.058	DNEPKEGHEGAGKK-YCPHGPKFSA-N	00000010100100000100000000000010000000000000000000000000	31-01-151607
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c([C@H](OC)CN(CC3)C)c2)COC)cc1	SCHEMBL3309417,PC-id_59285240	498.058	DNEPKEGHEGAGKK-IJEWVQPXSA-N	00000010100100000100000000000010000000000000000000000000	31-01-151608
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(C(OC)CN(CC3)C)c2)COC)cc1	SCHEMBL13395130,PC-id_25020289	498.058	DNEPKEGHEGAGKK-CNYCQXTOSA-N	00000010100100000100000000000010000000000000000000000000	31-01-151609
Clc1sc(OC(=O)NC2CC(N(C2)C(=O)c2sc3C(CN(CCc3c2)C)C)COC)cc1	PC-id_77947774	498.058	PWLVPLMNDLKIKF-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-151610
Clc1sc(OC(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3C(CN(CCc3c2)C)C)COC)cc1	PC-id_70893677,SCHEMBL13372836	498.058	PWLVPLMNDLKIKF-CZVYVAOFSA-N	00000010100100000100000000000010000000000000000000000000	31-01-151611
CC(C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1)Sc1nnc2n1CCCCC2	MCULE-3654387706,PC-id_16317491,EMOLS-id_3614944	498.062	MQMYYOPPCYKSJC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151612
C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC22_9500936,CoCoCo_3081825,PC-id_41096637	498.062	MQMYYOPPCYKSJC-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151613
C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC22_9500947,CoCoCo_3081824,PC-id_41096638	498.062	MQMYYOPPCYKSJC-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151614
O=C(CSc1nnc2n1CCCCC2)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	PC-id_16294895,EMOLS-id_11714247,MCULE-8350939357,CoCoCo_3081512,ZINC22_9832131	498.062	WAKWSMRFULYVSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151615
Clc1c(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cccc1	PC-id_19728276	498.063	KACRWVAHYNEOII-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151616
Clc1cc(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)ccc1	PC-id_19728579	498.063	UKLUSNCHNBJZEV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151617
Clc1ccc(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cc1	PC-id_17301151	498.063	XIPALIPCZZUACL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151618
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)cc1	PC-id_20124260	498.063	GTDDTMIIUQDJKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151619
C[C@H](C(F)(F)F)NS(=O)(=O)C1=C2CCCCCN2C(=C1Cl)C(=O)CC3=CC(=C(C=C3)F)F	PC-id_161893684	498.08	RMLQLLGYWANTRM-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151620
CC1COCCN1C=CC2=NN3CCCN(CC3=C2)C(=O)OCC4=CC(=CC(=C4)Cl)C(F)(F)F	PC-id_160110466	498.165	OVNUKIUFNKPEOV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151621
CC(C)[C@H]1C(=O)O[C@@H](CC(=O)NCC2=NC(=CS2)C(=O)NC(COCN1)(C)C)/C=C/CCS	PC-id_155171684	498.197	WKIODEHFWYAZAK-RDUOXDFISA-N	00000000100000000101000000000010000000000000000000000000	31-01-151622
C1CC(CCC1CCN2CCC3=C(CC2)SC(=N3)CCC(F)(F)F)CC(=O)CCC(F)(F)F	PC-id_161580090	498.214	WQTXRBNCTBTGFL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151623
CC(C)CC(C(=O)CC1CCC2=NC(=CS2)CCCCC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_147288936	498.219	CTUJEQHNTQSOAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151624
CN1C(=C(C=N1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F)F	PC-id_160596842	498.228	RDSZYQBXVSDMEO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151625
CN1C=C(C=N1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_161140446	498.228	ZGHUOXAPXIQCBO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151626
CN1C=C(C(=N1)F)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_161506460	498.228	WHNGNPABCCXWJM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151627
CC(C)(C1CCCCCc2c1nnn2CCOCc1ccc(cc1)Cl)OCCO/N=CC1=CC=C1	PC-id_164175956	498.24	ZZNURTHHNGLURM-CEUNXORHSA-N	00001100100000110101000000000010000000000000000000000000	31-01-151628
Clc1cc(C(=O)C[n+]2c3n(CCCCC3)c(c2)CNc2cc(Cl)c(Cl)cc2)ccc1Cl	GD-id_ZINC27028260,PC-id_34319621,CoCoCo_6132033	498.252	KPUDZTNENZDXCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151629
Ic1ccc(C#Cc2ccc3-c(c(cc3C(=O)OCC)C(=O)OCC)cc2)cc1	PC-id_86212129	498.31	GMEDWUXSYQLECU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151630
Brc1ccc(NC(=O)COc2c(C(=O)NCc3n4CCCCCc4nn3)cccc2)cc1	PC-id_60520639	498.372	GVVSMFCALWVDQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151631
Brc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCC(=O)N3CCOCC3)/C(=O)Nc2cc1	PC-id_60113706	498.412	JNOLFNCWSXMRTH-HKWRFOASSA-N	00000010100010100101000000001010000000000000000000000000	31-01-151632
Brc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)N3CCOCC3)C(=O)Nc2cc1	PC-id_72651800	498.412	JNOLFNCWSXMRTH-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-151633
Brc1ccc(cc1)c1csc(n1)Cc1c2-c(c(c1C)C(=O)c1ccccc1)ccccc2	PC-id_139814869	498.433	WSFCPLLVXWRHIJ-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-151634
Brc1ccc(cc1)C(=O)c1c(C)c(c2-c1ccccc2)Cc1scc(n1)c1ccccc1	PC-id_139814867	498.433	GDNUIUJULIFDGE-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-151635
Brc1ccc(S(=O)(=O)NC(C(C)C)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_76271316	498.437	MMFWNAYSHSEUDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151636
Brc1ccc(S(=O)(=O)N[C@@H](C(C)C)C(=O)NCCc2n3CCCCCc3nn2)cc1	PC-id_55934738	498.437	MMFWNAYSHSEUDL-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-151637
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccco1)Nc1sc2c(CCCCCC2)c1C(=O)OC	ZINC22_721348,SPECS-id_AG-389/41044273,CoCoCo_6890717,EMOLS-id_4481086,STOCK3S-10579,PC-id_1046773,MCULE-6305376488	498.439	HTNWBISPHUUTTA-UHFFFAOYSA-N	00000000101000000100000000000010000000000000000000000000	31-01-151638
CC(C1CCc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1cc(F)c(c(c1)F)F)C)NCC(F)(F)F	SCHEMBL18353421	498.443	AMBQUSYFBGIHMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151639
Clc1ccc(CC2CCCCc3c2n(nc3OC(=O)NC2CCC2)Cc2ccc(Cl)cc2)cc1	PC-id_66647626,SCHEMBL300663	498.444	WHHCCOVTQWLZKA-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-151640
C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1	CHEMBL1867798,CHEBI:96291,PC-id_44505208	498.446	FSJQCDSATLDVBC-GSHUGGBRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151641
Clc1cc(CN(CC2OCc3n(nnc3)CCCC(=O)N(CC2C)C(CO)C)C)ccc1Cl	PC-id_75036262	498.446	FSJQCDSATLDVBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151642
Clc1cc(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)ccc1Cl	CHEBI:113388,PC-id_44498551	498.446	FSJQCDSATLDVBC-JLHGSKIFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151643
Clc1cc(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)ccc1Cl	CHEBI:95664,PC-id_44505636,CHEMBL1874076	498.446	FSJQCDSATLDVBC-YVHKJVDXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151644
Clc1cc(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)ccc1Cl	CHEBI:96852,PC-id_44505863	498.446	FSJQCDSATLDVBC-HOIFWPIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151645
Clc1cc(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)ccc1Cl	CHEBI:96934,PC-id_44505856	498.446	FSJQCDSATLDVBC-HYFFOGBASA-N	00000000100000110101000000000010000000000000000000000000	31-01-151646
Clc1cc(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)ccc1Cl	PC-id_44505624,CHEBI:96783	498.446	FSJQCDSATLDVBC-DRSNIGMVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151647
Clc1cc(CN(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)ccc1Cl	PC-id_44505855	498.446	FSJQCDSATLDVBC-PNLZDCPESA-N	00000000100000110101000000000010000000000000000000000000	31-01-151648
Clc1cc(CN(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)ccc1Cl	PC-id_44505865,CHEBI:97041	498.446	FSJQCDSATLDVBC-JKSBSHDWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151649
Clc1cc(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)ccc1Cl	CHEBI:117594,PC-id_44487421	498.446	ATJIIPBEGAKQFE-JKSBSHDWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151650
Clc1cc(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)ccc1Cl	CHEBI:95628,PC-id_44486368	498.446	ATJIIPBEGAKQFE-JLHGSKIFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151651
Clc1cc(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)ccc1Cl	CHEBI:96492,PC-id_44488704	498.446	ATJIIPBEGAKQFE-GSHUGGBRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151652
Clc1cc(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)ccc1Cl	CHEBI:96845,PC-id_44485763	498.446	ATJIIPBEGAKQFE-YVHKJVDXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151653
Clc1cc(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)ccc1Cl	CHEBI:96991,PC-id_44486972	498.446	ATJIIPBEGAKQFE-PNLZDCPESA-N	00000000100000110101000000000010000000000000000000000000	31-01-151654
Clc1cc(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)ccc1Cl	PC-id_44484531,CHEBI:96117	498.446	ATJIIPBEGAKQFE-DRSNIGMVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151655
Clc1cc(CN(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)ccc1Cl	PC-id_44485077,CHEBI:95511	498.446	ATJIIPBEGAKQFE-HYFFOGBASA-N	00000000100000110101000000000010000000000000000000000000	31-01-151656
Clc1cc(CN(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)ccc1Cl	PC-id_44486367,CHEBI:97000	498.446	ATJIIPBEGAKQFE-HOIFWPIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151657
C/C(=C[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)[C@@H](CCCc2nc(C1)sc2)[NH3+])/Br	PC-id_145165708	498.454	JPGNORWYQQMIGH-VTWPFVEDSA-O	00000000100000000111000000000010000000000000000000000000	31-01-151658
C[C@@H]1OC(=O)C[C@H]([NH3+])CCc2csc(n2)C[C@H](OC(=O)/C=CC=C(C1)/C)/C=C(/Br)C	PC-id_141679019	498.454	GVNWPQGMFSXSFT-KELLIEDASA-O	00000000100000000111000000000010000000000000000000000000	31-01-151659
FC(F)(F)Oc1ccc(NC(=O)N2CCC(CC2)CN2CCn3c(OCC2)nc([N+](=O)[O-])c3)cc1	PC-id_71570445,SCHEMBL14965586	498.456	YSCGCDMSPPBZJV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151660
Brc1c(cc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1sc2CCCCCCc2n1	PC-id_56021335	498.457	CTLJGQFSOBMNSK-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-151661
c1(NC(=O)COc2ccc(cc2Cl)Cl)sc2c(CCCCCCCCCC2)c1C(=O)OC	PC-id_1758393,TIMTEC75428,CoCoCo_5831384,SPECS-id_AK-968/40729087,ZINC22_2103182,EMOLS-id_4171143,MCULE-3532720257	498.462	BHUURWAJBJIREH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151662
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1Cl	PC-id_19654687	498.489	UUPDVFIVKYCOBU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-151663
s1c2c(CCCCC2)c(c1NC(=O)Cn1nc(c2c1nc(cc2C(F)F)C(F)F)C)C(=O)OC	PC-id_19499257	498.494	YKDYWGKZXNEOCX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-151664
s1c2CCCCCc2c(c1NC(=O)COC(=O)CCCn1c2c(oc1=O)cc([N+](=O)[O-])cc2)C#N	PC-id_28176169	498.508	RVPDUWUDHYEDTF-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-151665
C(C(=O)OC)(NC(=O)Cc1ccccc1)(C(F)(F)F)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_3839444,TIMTEC326513,EMOLS-id_4555111,STOCK4S-01910,MCULE-2207680511	498.515	NBUFFNIRFBQALV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151666
COC(=O)c1c(N[C@@](NC(=O)Cc2ccccc2)(C(=O)OC)C(F)(F)F)sc2c1CCCCC2	PC-id_1983974,ZINC22_2374056	498.515	NBUFFNIRFBQALV-QFIPXVFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151667
COC(=O)c1c(N[C@](NC(=O)Cc2ccccc2)(C(=O)OC)C(F)(F)F)sc2c1CCCCC2	ZINC22_2374058,PC-id_1983977	498.515	NBUFFNIRFBQALV-JOCHJYFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151668
CCOc1c(OC)cc(cc1[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O)Cc1cc2-c(c1C(=O)O)ccccc2	PC-id_69380626,SCHEMBL5270973	498.522	UZFBJGLWPNMWQH-PRMBFXIESA-N	00000010100010110110100000000010000000000000000000000000	31-01-151669
CCOc1c(OC)cc(cc1[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1cc2-c(c1C(=O)O)ccccc2	SCHEMBL5270972,PC-id_58786176	498.522	UZFBJGLWPNMWQH-TXKDOCKMSA-N	00000010100010110110100000000010000000000000000000000000	31-01-151670
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)O)cc(OC)c1OCC	PC-id_72423662	498.522	UZFBJGLWPNMWQH-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-151671
O1C(C(O)C(O)C(O)C1CO)c1c(OC)c(Cc2c(c3-c(c2)ccccc3)C(=O)OC)c(OC)cc1	PC-id_72423671	498.522	SOYZAGAJMJCVEJ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-151672
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(OC)c(Cc2c(c3-c(c2)ccccc3)C(=O)OC)c(OC)cc1	PC-id_58786185,SCHEMBL14590132	498.522	SOYZAGAJMJCVEJ-TXKDOCKMSA-N	00000010100010110110100000000010000000000000000000000000	31-01-151673
O=C(Cn1nc(c2c1CCCCC2)C(F)(F)F)NC(C(=O)N(c1ccccc1)C)Cc1ccccc1	SCHEMBL18328182	498.54	KQONVJSALGXCRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151674
O=C(Cn1nc(c2c1CCCCC2)C(F)(F)F)N[C@H](C(=O)N(c1ccccc1)C)Cc1ccccc1	SCHEMBL18328256	498.54	KQONVJSALGXCRI-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151675
OCCNC(=O)C1=CCC=Cc2c1cn(n2)CC1=CC1/C=CNC1=C(C)C(C)C=C(C=C1)C(F)(F)F	SCHEMBL19673389	498.54	LIYFDYPXAFLDCW-KTKRTIGZSA-N	00110000100000000111000000000010000000000000000000000000	31-01-151676
s1c(C(=C(C#N)C#N)C(=c2ccc(=C(C#N)C#N)cc2)c2c3-c(cccc(c3)C(C)C)oc2=O)ccc1	PC-id_57338926	498.555	PYGFKILPGIVJDX-UHFFFAOYSA-N	00000010100100100110000000000010000000000000000000000000	31-01-151677
[Se]1CCSCCSCCSCC[Se]c2sc(=S)sc12	PC-id_10767634	498.555	WVFJZUZEGDSXTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151678
Cc1ncccc1C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)(F)F)sc3CC2)OC1	PC-id_138670766,SCHEMBL21041113,BindingDB-id_989444	498.562	XBNMOXOSTOMNAW-DLBZAZTESA-N	00000000100010101101000000000010000000000000000000000000	31-01-151679
CC(C)S(=O)(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86270343,SCHEMBL20696131	498.562	WOWYUWOLCZXFDX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-151680
CCn1c2c(CN(CCC2)S(=O)(=O)C)c(n1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20696132,PC-id_137456684	498.562	NNWIGPRNPFJQLV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-151681
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1c(n(c(c1)C)c1ccc(F)cc1)C)C(=O)OC	PC-id_3429441	498.566	ITKWTMGNFVNIHM-UHFFFAOYSA-N	00000000110000110100100000000010000000000000000000000000	31-01-151682
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)OCOC(=O)C)cc(c(=O)c(c2)C)C	PC-id_67942619,SCHEMBL9850626	498.57	MMMRBOYEMVJGAO-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-151683
CC(CC(C(=O)NC1Cc2ncoc2CCCCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21109610,PC-id_138730455	498.571	PRDUAHVSBDCEJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151684
CC(CC(C(=O)NC1CCCc2cnoc2CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138731242,SCHEMBL21110402	498.571	PKSZZDHMZLQIPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151685
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1occc1CS(=O)(=O)c1ccccc1)C#N	PC-id_55466488	498.571	GFBMNIOXFQBEHL-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-151686
COc1c(cc(cc1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1)OC	PC-id_134808304	498.573	UCZZRUFUYFUPMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151687
COc1cc(ccc1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CCOc1ccccc1	PC-id_134808340	498.573	DCKNHZQYVGOSLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151688
COCCN1CCNc2c(C1=O)n(c(n2)COc1ccc(cc1)Oc1ccccc1)Cc1ccccc1	PC-id_134809002	498.573	GTHLVAJJKDISQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151689
c12cc(on1)CNCCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1	EMOLS-id_317517483,MCULE-2568323039,PC-id_137343524	498.575	MKFRSJSWRHMOBC-NSISKUIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-151690
O=C1NC(CC(C)C)C(=O)NC(Cc2nnn(CCCCC1NC(=O)OCc1ccccc1)c2)C=O	PC-id_78106202	498.575	WYIRJMHDZRVXLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151691
O=C1NC(CCCCn2nnc(CC(NC(=O)OCc3ccccc3)C(=O)NC1CC(C)C)c2)C=O	PC-id_78106199	498.575	XBBRDUATRGKEIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151692
O=C1N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2nnn(CCCC[C@@H]1NC(=O)OCc1ccccc1)c2)C=O	PC-id_71545460	498.575	WYIRJMHDZRVXLJ-FKBYEOEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151693
O=C1N[C@@H](CCCCn2nnc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N[C@H]1CC(C)C)c2)C=O	PC-id_71545457	498.575	XBBRDUATRGKEIW-BVSLBCMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151694
COc1cc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)ccc1OCc1ccccc1	MCULE-9574786781,ZINC22_14991121,PC-id_26345983,CoCoCo_1380288,CoCoCo_1380289,EMOLS-id_20574637	498.576	OGLLFAUANCVRAA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-151695
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)NCCN2CCCC2)CC)cc1	PC-id_46159947	498.593	BTGGRKNQYUPXMO-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-151696
O=C(O)c1ccc(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3ccccc3)CCCCCC4)o2)cc1	ZINC22_408970297	498.593	FLXFIIMZISQLJQ-UXHLAJHPSA-N	00000000101000110100100000000010000000000000000000000000	31-01-151697
s1c2c(CCCCC2)c(c1NC(=O)/C=C/c1nc(sc1)N(c1c(F)cccc1)C(=O)C)C(=O)N	PC-id_55334061	498.593	IMIAHDUBNRWREX-VAWYXSNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151698
s1c2c(CCCCC2)c(c1NC(=O)C=Cc1nc(sc1)N(c1c(F)cccc1)C(=O)C)C(=O)N	PC-id_76228120	498.593	IMIAHDUBNRWREX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151699
CN(c1ccccc1)c1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1	CoCoCo_1349605,PC-id_29257058,CoCoCo_1349606,ZINC22_20997208,MCULE-5642244297,EMOLS-id_20554097	498.594	IFHULJFYCOHJGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151700
s1c2CCCCCc2cc1C(=O)OCC(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CC	PC-id_73245140	498.594	PAIMNMRRBYFBOB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151701
s1c2CCCCCc2c(c1N=C([O-])c1ccc(NS(=O)(=O)c2cc(OC)ccc2)cc1)C(=O)N	PC-id_2241458	498.594	QYPGVTVSVYPGEJ-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-151702
O(c1cc(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)cc(OC)c1OC)C	PC-id_42345311	498.595	ZXQSNBUHDOYFPT-LJQANCHMSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151703
O(c1cc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)cc(OC)c1OC)C	PC-id_42345314	498.595	ZXQSNBUHDOYFPT-IBGZPJMESA-O	00000000101000110101000000000010000000000000000000000000	31-01-151704
O(c1cc(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)cc(OC)c1OC)C	PC-id_74844983	498.595	ZXQSNBUHDOYFPT-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151705
O(c1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3occc3)CC(C)C)CC2)c(OC)cc(OC)c1)C	PC-id_42342357	498.595	LKRBDZXXQZZJGC-HXUWFJFHSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151706
O(c1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3occc3)CC(C)C)CC2)c(OC)cc(OC)c1)C	PC-id_42342361	498.595	LKRBDZXXQZZJGC-FQEVSTJZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151707
Oc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3oc(cc3)COC)CC(C)C)CC2)cc(OC)cc1	PC-id_26322810	498.595	KGNUAWCVPVMVDD-NRFANRHFSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151708
Oc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3oc(cc3)COC)CC(C)C)CC2)cc(OC)cc1	PC-id_26322814	498.595	KGNUAWCVPVMVDD-OAQYLSRUSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151709
O(c1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3occc3)CC(C)C)CC2)c(OC)cc(OC)c1)C	PC-id_74844408	498.595	LKRBDZXXQZZJGC-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151710
Oc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3oc(cc3)COC)CC(C)C)CC2)cc(OC)cc1	PC-id_74496310	498.595	KGNUAWCVPVMVDD-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151711
COc1ccc(cc1)CNc1nc2c(s1)C(=O)N(CC(=O)N2Cc1ccccc1)Cc1ccccc1	PC-id_142739036	498.596	DEOKVJKWQFSVMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151712
O(c1cc(C[NH+]2CCn3c(nnc3CNC(=O)c3ccccc3)CC2)ccc1OCc1ccccc1)C	PC-id_42275332	498.596	XJZOMMGOMRAGKQ-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151713
s1c2c(CCCCC2)c(c1NC(=O)CN1C(=O)C(NC1=O)(Cc1ccccc1)c1ccccc1)C#N	PC-id_46582950	498.596	NQFSNLOMGHJTCS-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-151714
S(=O)(=O)(N(CC1OCc2nnn(CCCC(=O)N(CC1C)C(CO)C)c2)C)c1c(onc1C)C	PC-id_75036123	498.596	VEWOEMHTGDJGFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151715
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1c(onc1C)C	PC-id_44484505	498.596	WNTBCENRUQELLA-DOXZYTNZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151716
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1c(onc1C)C	PC-id_44484506	498.596	WNTBCENRUQELLA-ZRGWGRIASA-N	00000000100000000101000000000010000000000000000000000000	31-01-151717
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1c(onc1C)C	PC-id_44485736	498.596	WNTBCENRUQELLA-QMTMVMCOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151718
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1c(onc1C)C	PC-id_44485738	498.596	WNTBCENRUQELLA-SPYBWZPUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151719
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1c(onc1C)C	PC-id_44486340	498.596	WNTBCENRUQELLA-KHYOSLBOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151720
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1c(onc1C)C	PC-id_44486946	498.596	WNTBCENRUQELLA-VCBZYWHSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151721
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1c(onc1C)C	PC-id_44504913	498.596	VEWOEMHTGDJGFP-SPYBWZPUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151722
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C)c1c(onc1C)C	PC-id_44504914	498.596	VEWOEMHTGDJGFP-QMTMVMCOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151723
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@H](CO)C)c2)C)c1c(onc1C)C	PC-id_44505121	498.596	VEWOEMHTGDJGFP-VCBZYWHSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151724
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1c(onc1C)C	PC-id_44505330	498.596	VEWOEMHTGDJGFP-CLCXKQKWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151725
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@H](CO)C)c2)C)c1c(onc1C)C	PC-id_44505333	498.596	VEWOEMHTGDJGFP-ZRGWGRIASA-N	00000000100000000101000000000010000000000000000000000000	31-01-151726
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C)c1c(onc1C)C	PC-id_44505536	498.596	VEWOEMHTGDJGFP-YZVOILCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151727
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C)c1c(onc1C)C	PC-id_44505726	498.596	VEWOEMHTGDJGFP-DOXZYTNZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151728
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C)c1c(onc1C)C	PC-id_44505933	498.596	VEWOEMHTGDJGFP-KHYOSLBOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151729
O=C(c1ccc2-c1cc(ccc2)C(C)C)OCCOCCOC(=O)c1ccc2-c1cc(ccc2)C(C)C	PC-id_101157107	498.609	DEEYWCUMVOLMPQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-151730
COC1=CCC(=N/C=CC(=C)OC2=C(CC=c3c(=C2)sc(n3)NCCN2CCCC2)F)C=C1OC	PC-id_134566538	498.613	MJKFFNBIAJWILX-KOAFECTRSA-N	00000010100011000111000000000010000000000000000000000000	31-01-151731
COC1=C/C(=N/C=CC(=C)OC2=C(F)CC=c3c(=C2)sc(n3)NCCN2CCCC2)/CC=C1OC	SCHEMBL20216685	498.613	MJKFFNBIAJWILX-QDMMCANQSA-N	00000010100011000111000000000010000000000000000000000000	31-01-151732
COC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)C)sc2c1CCCCC2	GD-id_ZINC20570687	498.614	ABPXNUKURMOLPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151733
Fc1ccc(CC(=O)NCCc2n3CC[NH+](CCc3nn2)Cc2cc(ccc2)c2c(cccc2)C)cc1	GD-id_ZINC11870079,PC-id_42237322	498.614	HCBYVDOEQODWRY-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-151734
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(c2ccccc2)C)cc1)C(=O)OC	PC-id_23824869	498.614	MEGACIQAXLSQMM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151735
s1c2c(CCCCC2)c(c1NC(=O)c1c(NS(=O)(=O)c2ccc(cc2)C)cccc1)C(=O)OC	PC-id_5167975	498.614	LKHXOXBFDUUZPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151736
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2occc2)ccc1)C)C(=O)OC	PC-id_18910295	498.614	JGUBOEUDPZBYKN-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-151737
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2occc2)ccc1)C(=O)OCC	PC-id_18910329	498.614	KESSFEXJAXJIEM-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-151738
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2occc2)ccc1)C(=O)OC	PC-id_18910330	498.614	YDXZUZBKUQKUCV-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-151739
Cc1ccccc1[C@]1(CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)CC(=O)N(Cc2ccccc2)C1=O	PC-id_42435190,ZINC22_12157215,CoCoCo_1154375,CoCoCo_1154373	498.616	WFCAADXCIXJWBA-PMERELPUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-151740
Cc1ccccc1[C@@]1(CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)CC(=O)N(Cc2ccccc2)C1=O	ZINC22_12157221,CoCoCo_1154374,PC-id_42435195,CoCoCo_1154372	498.616	WFCAADXCIXJWBA-SSEXGKCCSA-N	00000010100000110101100000000010000000000000000000000000	31-01-151741
CN(Cc1n[nH]c2CCCCCc12)C(=O)CC1(CC(=O)N(Cc2ccccc2)C1=O)c1ccccc1C	EMOLS-id_20416732,PC-id_45174306,MCULE-7728788852	498.616	WFCAADXCIXJWBA-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-151742
c1(C(CC(C)C)NC(=O)CN(C)C)nnc2CCN(C(=O)CCC(=O)c3ccc(cc3)OC)CCn12	MCULE-6415843251,EMOLS-id_20435051,ChEMBL-DNDi_CHEMBL16653486,PC-id_45178533	498.618	LTAIKBQOGMOARR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151743
COc1ccc(C(=O)CCC(=O)N2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1	CoCoCo_1179611,ZINC22_12042177,PC-id_42373008	498.618	LTAIKBQOGMOARR-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151744
COc1ccc(C(=O)CCC(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)cc1	ZINC22_12042173,CoCoCo_1179610,PC-id_42373003	498.618	LTAIKBQOGMOARR-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151745
s1c2c(CCCCC2)c(c1NC(=O)NS(=O)(=O)c1ccccc1)C(=O)NNc1ccc(cc1)C	PC-id_45112458	498.618	VQOLVOZLJVUQAK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151746
c1(C(CC(C)C)NC(=O)c2cc(C)cc(C)c2)nnc2CCN(CCn12)C(=O)c1ccc2c([nH]cc2)c1	MCULE-9756487635,EMOLS-id_20578493,PC-id_45211525	498.619	JWGLTMXEKFNGLV-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-151747
c1(C(C(C)C)NC(=O)c2ccoc2)nnc2CCN(Cc3ccc(cc3)N(C)c3ccccc3)CCn12	MCULE-8638454149,PC-id_45200977,EMOLS-id_20532889	498.619	BPADUQXFWFOEIS-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-151748
c1(cc(NC(=O)CC)cc2c1n(C)c(n2)Cc1ccccc1)C(=O)N(C)Cc1c2CCCCCc2[nH]n1	PC-id_26344499,MCULE-7464235852,CoCoCo_1581960,ZINC22_14989846,EMOLS-id_20707653,CoCoCo_1581961	498.619	MYKYMFNNIZZCCX-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-151749
Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(C(=O)c2ccc4cc[nH]c4c2)CC3)c1	CoCoCo_1386176,PC-id_42362546,ZINC22_12029334	498.619	JWGLTMXEKFNGLV-VWLOTQADSA-N	00000000100000110101000001100010000000000000000000000000	31-01-151750
Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(C(=O)c2ccc4cc[nH]c4c2)CC3)c1	CoCoCo_1386177,PC-id_42362539,ZINC22_12029328	498.619	JWGLTMXEKFNGLV-RUZDIDTESA-N	00000000100000110101000001100010000000000000000000000000	31-01-151751
CC/C=CCOc1ccc(cc1)CNC1=C(C#N)CNn2c(C1)c(C)c(c2)NC(=O)/C(=C/C)/N=CC=C	PC-id_143026317	498.619	SRTAIZGSLGLFDU-PLPZSOTDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-151752
CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	CoCoCo_1318693,ZINC22_12133578,CoCoCo_1318694,PC-id_42424179	498.619	BPADUQXFWFOEIS-HHHXNRCGSA-N	00000000101000110101000000000010000000000000000000000000	31-01-151753
CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	CoCoCo_1318696,PC-id_42424181,ZINC22_12133586,CoCoCo_1318695	498.619	BPADUQXFWFOEIS-MHZLTWQESA-N	00000000101000110101000000000010000000000000000000000000	31-01-151754
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C#N)c1c2c([nH]c1)nccc2	PC-id_55988109	498.621	GCGMWZIMWHKGKX-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-151755
CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCCN1CCOCC1)CCCCC3)/C(=O)N2	SCHEMBL6696492,PC-id_60113748	498.638	CBTBEKYXSPQLRC-XLNRJJMWSA-N	00000010100010100101000000001010000000000000000000000000	31-01-151756
s1c2CCCCCc2c(c1NC(=O)CCN(CC(=O)Nc1cc(OCC)c(OCC)cc1)C)C#N	PC-id_24428423	498.638	BGEKRTLQNVZEBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151757
s1c2CCCCCc2c(c1NC(=O)C(N(CC(=O)Nc1cc(OCC)c(OCC)cc1)C)C)C#N	PC-id_24506807	498.638	CUBLBFMACAIXBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151758
s1c2c(CCCCCC2)cc1C(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CCCOC	PC-id_76858226	498.638	OLOINQGCFZROBW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151759
S(=O)(=O)(NC)c1cc2C(=Cc3[nH]c4c(c3CCCN3CCOCC3)CCCCC4)C(=O)Nc2cc1	PC-id_72651836	498.638	CBTBEKYXSPQLRC-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-151760
CC(C[C@@H](c1nnc2n1CC[N@@H+](CC2)CC(c1ccccc1)c1ccccc1)NC(=O)c1ccco1)C	GD-id_ZINC11786644,PC-id_42166915	498.639	QMRMFFKGONDDSW-SANMLTNESA-O	00000000101000110101000000000010000000000000000000000000	31-01-151761
C[C@@H](c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1c1ccc(F)cc1)N(C)C	PC-id_41209347,CoCoCo_2873744,ZINC22_9781566	498.639	OSQJTJSYFRDCOK-HNNXBMFYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151762
C[C@H](c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1c1ccc(F)cc1)N(C)C	ZINC22_9781569,CoCoCo_2873743,PC-id_41209350	498.639	OSQJTJSYFRDCOK-OAHLLOKOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151763
N#Cc1c(NC(=O)CSc2nnc(n2c2ccc(cc2)F)C(N(C)C)C)sc2c1CCCCC2	PC-id_16331411,EMOLS-id_43708327,MCULE-4970417509	498.639	OSQJTJSYFRDCOK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151764
O=C(NC(c1n2CC[NH+](CCc2nn1)CC(c1ccccc1)c1ccccc1)CC(C)C)c1occc1	PC-id_74780439	498.639	QMRMFFKGONDDSW-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151765
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)CC(c1ccccc1)c1ccccc1)CC(C)C)c1occc1	PC-id_42166913	498.639	QMRMFFKGONDDSW-AREMUKBSSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151766
Cc1cc(c(c(c1C)S(=O)(=O)N1CCN(CC1)C/C(=C(C#N)/c1nnc2n1CCCCC2)/O)C)C	PC-id_135687347	498.641	ZRPAIBUGCRGGRF-DQRAZIAOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151767
Cc1cc(c(c(c1C)S(=O)(=O)N1CCN(CC1)CC(=C(C#N)c1nnc2n1CCCCC2)O)C)C	PC-id_137090629	498.641	ZRPAIBUGCRGGRF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151768
N#C/C(=C/1NN=C2N1CCCCC2)/C(=O)CN1CCN(CC1)S(=O)(=O)c1c(C)c(C)cc(c1C)C	CoCoCo_4114744	498.641	WFOREPFTLAVPFD-DAFNUICNSA-N	00000011000010110111000000000010000000000000000000000000	31-01-151769
N#CC(=C1NN=C2N1CCCCC2)C(=O)CN1CCN(CC1)S(=O)(=O)c1c(C)c(C)cc(c1C)C	EMOLS-id_26209136,MCULE-4842260530,PC-id_72066956	498.641	WFOREPFTLAVPFD-UHFFFAOYSA-N	00000011000010110111000000000010000000000000000000000000	31-01-151770
N#C/C(=C
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S(=O)(=O)(N1CC[NH+](CC1)CCC(=O)Nc1sc2c(CCCCC2)c1C#N)c1ccc(cc1)C#N	PC-id_41132187	498.641	VUSWGCIRDVIVMG-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-151772
S(=O)(=O)(N1CC[NH+](CC1)CCC(=O)Nc1sc2c(CCCCC2)c1C#N)c1c(cccc1)C#N	PC-id_41252054	498.641	HGXMOISBCWWGMH-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-151773
S(=O)(=O)(N1CC[NH+](CC1)C(C)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1c(cccc1)C#N	PC-id_74750456	498.641	DHZGXPGBWLSMME-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-151774
S(=O)(=O)(N1CC[NH+](CC1)[C@@H](C)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1c(cccc1)C#N	PC-id_41166497	498.641	DHZGXPGBWLSMME-KRWDZBQOSA-O	00000000100010110101000000000010000000000000000000000000	31-01-151775
S(=O)(=O)(N1CC[NH+](CC1)[C@H](C)C(=O)Nc1sc2c(CCCCC2)c1C#N)c1c(cccc1)C#N	PC-id_41166501	498.641	DHZGXPGBWLSMME-QGZVFWFLSA-O	00000000100010110101000000000010000000000000000000000000	31-01-151776
s1c2CCCCCc2c(c1NC(=O)CSc1sc(Nc2cc(NC(=O)C)ccc2)nn1)C#N	PC-id_46575457	498.644	LXVZYJFIFBJZMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151777
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1cnc(s1)C)F	PC-id_138671103	498.653	DFOPHONMCYKINM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151778
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1csc(n1)C)F	PC-id_138670407	498.653	KNCGSBUMZQWYCK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151779
FC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1cnc(s1)C)F	SCHEMBL21041471	498.653	DFOPHONMCYKINM-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151780
FC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1csc(n1)C)F	SCHEMBL21040746	498.653	KNCGSBUMZQWYCK-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151781
S1CCCN(c2c1sc(c2)Cc1ccccc1)C(=O)c1ccc(NC(=O)c2c(cccc2)C)cc1	PC-id_11225762	498.659	YESPZAKKKXRDBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151782
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1sccc1	PC-id_2399439	498.659	XTGJRNTZABVGQV-UHFFFAOYSA-O	00000000100110000101000000000010000000000000000000000000	31-01-151783
c1(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c(C)n(n(c2ccccc2)c1=O)C	TIMTEC548780,ZINC22_2853633,EMOLS-id_2317531,PC-id_2207295,CoCoCo_993931,MCULE-8095847370,Chemmine_18402	498.661	XJYYEXRADWCJRX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151784
COCc1ccc(o1)C(=O)N[C@@H](c1nnc2n1CC[N@H+](CC2)Cc1ccc(cc1)SC)CC(C)C	GD-id_ZINC14969648,PC-id_26327796	498.661	RCYGVPXXCISDLO-JOCHJYFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151785
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC)C(=O)OCC	PC-id_17271077	498.661	VELREHRKTBGQCD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151786
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC)C(=O)OCC	PC-id_19729866	498.661	KMJJHOQVRFCIKM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151787
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC)C(=O)OCC	PC-id_19730250	498.661	FQOXDCIGKNLLAD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151788
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)C)C(=O)OC	PC-id_20124906	498.661	DZZDFGIUGDEJQK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151789
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC)C(=O)OCC	PC-id_20123617	498.661	PCOMEIGSWUKNLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151790
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC)C(=O)OC	PC-id_17271069	498.661	RVYLWMXSOOSEEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151791
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)C)C(=O)OCC	PC-id_17303006	498.661	PYEHFLDYQNOXCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151792
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(OC)ccc1)C)C(=O)OC	PC-id_20172613	498.661	YYCDBUKUJGPQIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151793
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC)C(=O)OC	PC-id_17268186	498.661	JQFOELUBCILAPK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151794
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC)C(=O)OC	PC-id_19729831	498.661	QTONPCJGHILZQN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151795
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC)C(=O)OC	PC-id_19730024	498.661	LOXGAVPSXILYRC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151796
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC)C(=O)OC	PC-id_17263926	498.661	TULLQRSUFMHTTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151797
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)C)C(=O)OC	PC-id_20124378	498.661	USWMOMVTCUUKLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151798
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cn(nc1)Cc1cc(OC)ccc1)C(=O)OCC	PC-id_20172795	498.661	HITYNSXORFNJMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151799
S(c1ccc(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3oc(cc3)COC)CC(C)C)CC2)cc1)C	PC-id_26327792	498.661	RCYGVPXXCISDLO-QFIPXVFZSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151800
S(c1ccc(C[NH+]2CCn3c(nnc3C(NC(=O)c3oc(cc3)COC)CC(C)C)CC2)cc1)C	PC-id_74496886	498.661	RCYGVPXXCISDLO-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151801
c1(c2CCCCCc2sc1NC(=O)Cc1ccc(c(OCC)c1)OCC)C(=O)NC1CCCCC1	CoCoCo_6814613,EMOLS-id_4171429,TIMTEC447056,SPECS-id_AK-968/41923499,PC-id_4692538,MCULE-2050219220,ZINC22_8455264	498.677	SGKKLONPPSSSIR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-151802
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(cccc1)C(=O)OCCC=CCC	PC-id_30377287	498.677	WXMRFFJEPIEVMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151803
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(C(=O)OC2CCCCC2)cccc1	PC-id_30377290	498.677	SHEHIXLEMXRETQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151804
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C#N	PC-id_22198283	498.682	KEHACCDSOCHLDP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151805
CC(Cn1c2sc(c(c2c(=O)n(c1=O)C)Sc1cccs1)Cn1cnc2c1C=CCCC2)C	PC-id_142095093	498.684	NYWPIJOTJZFBRK-UHFFFAOYSA-N	00000000100100100111000001000010000000000000000000000000	31-01-151806
O=C1C(=CC(=C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)C=C1C(C)(C)C)C(C)(C)C	PC-id_10580027	498.697	WGTCQGOWHWPIRG-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-151807
[S+](c1c2-c(c([S+](c3ccccc3)c3ccccc3)c1)ccccc2)(c1ccccc1)c1ccccc1	PC-id_24822568	498.7	BDPHEIAWRCSCPP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151808
CC(C)c1ccc(Nc2nn(CN3CCN(Cc4nnc5n4CCCCC5)CC3)c(=S)s2)cc1	CoCoCo_4492306,EMOLS-id_11947191,MCULE-2783046063,CoCoCo_4492307,ZINC22_22802141,PC-id_17551805	498.71	UXCCGKDESIICQZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151809
[Si](CCOC(=O)C1=C=CC(c2oc(CC(CC1)C(=C)C)c(c2)C(=O)OC(C)(C)C)C(=C)C)(C)(C)C	PC-id_85252803	498.726	RSHNDLDVFDPPRW-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-151810
[Si](CCOC(=O)C1=C=C[C@@H](c2oc(C[C@@H](CC1)C(=C)C)c(c2)C(=O)OC(C)(C)C)C(=C)C)(C)(C)C	PC-id_10743944	498.726	RSHNDLDVFDPPRW-JKQHVQDSSA-N	00000000100000000110000000000010000000000000000000000000	31-01-151811
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)CN2CCCCC2)cc(c1)C(F)(F)F	PC-id_140700436	498.926	HRCAVFHGLRTIOO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151812
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)CN2CCC[C@H]2C)cc(c1)C(F)(F)F	PC-id_140700514	498.926	YZFSAEPBCHQBHA-OAHLLOKOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-151813
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)CN2CCC[C@@H]2C)cc(c1)C(F)(F)F	PC-id_140700520	498.926	YZFSAEPBCHQBHA-HNNXBMFYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-151814
CN1CCN(CC1)C(=O)c1cc2n(c1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_118875572,SCHEMBL17509128	498.926	IUCDCIDDTRWRHK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151815
c12C(=O)N(CCCn1nc(C(=O)NCc1cc(OC)c(c(OC)c1)OC)c2)Cc1ccc(cc1)Cl	PC-id_53086348,EMOLS-id_32632886,MCULE-5025240432	498.959	WXZNGZIVGNKTFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151816
Clc1c(N2CC[NH+](CC2)CC(=O)Nc2sc3c(CCCCC3)c2C#N)ncc(c1)C(F)(F)F	PC-id_25692880	498.972	LTFGRUIPSDGSNJ-UHFFFAOYSA-O	00000000100010101101100000000010000000000000000000000000	31-01-151817
CC=C(C=C(C(=C)C(C)C1CCCCn2c1nc(n2)Nc1cc(c(cc1)n1cc(nc1)Cl)C)F)F	PC-id_90717629	498.998	UBSKNOXEFBIBJC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151818
c1(C(C(C)C)NC(=O)c2ccccn2)nnc2CCN(Cc3cc(OC)c(cc3Cl)OC)CCn12	EMOLS-id_20478541,PC-id_45188606,MCULE-1804363604	499.005	IPYICOAOBLWLNO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-151819
COc1cc(Cl)c(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1OC	CoCoCo_1240653,ZINC22_20453208,CoCoCo_1240654,PC-id_28956169	499.005	IPYICOAOBLWLNO-QHCPKHFHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-151820
COc1cc(Cl)c(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1OC	PC-id_28956170,CoCoCo_1240651,ZINC22_20453210,CoCoCo_1240652	499.005	IPYICOAOBLWLNO-HSZRJFAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-151821
c1(c2CCCCCc2sc1N=Cc1ccc(c(OC)c1OC)OC)C(=O)Nc1cccc(Cl)c1	PC-id_4210274,MCULE-6764821958	499.022	KVNGNWCOBXDHHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151822
c1(c2CCCCCc2sc1N=Cc1cc(OC)c(cc1OC)OC)C(=O)Nc1cccc(Cl)c1	MCULE-3505500166,PC-id_4210273	499.022	OIYXDMMXCZFRFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151823
c1(c2CCCCCc2sc1NC(=O)COc1ccc(cc1)Cl)C(=O)Nc1ccccc1OCC	MCULE-9445639646,TIMTEC151379,ZINC22_8589775,PC-id_4617924,EMOLS-id_2765627,CoCoCo_1731296	499.022	FONIAOFJIKFUQL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151824
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCCCC3)c(OC)c1OC	EMOLS-id_46413413,ZINC22_15946513,CoCoCo_6728182,PC-id_9653283,TIMTEC274300	499.022	KVNGNWCOBXDHHO-RWPZCVJISA-N	00000000100000110100000000000010000000000000000000000000	31-01-151825
COc1cc(OC)c(cc1/C=Nc1sc2c(c1C(=O)Nc1cccc(c1)Cl)CCCCC2)OC	CoCoCo_6728181	499.022	OIYXDMMXCZFRFQ-MBTHVWNTSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151826
O=C(NC(c1ccccc1)C)C1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049479	499.604	MIHAYWIJXMJQTN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151933
COc1cc(OC)c(/C=N/c2sc3CCCCCc3c2C(=O)Nc2cccc(Cl)c2)cc1OC	CoCoCo_6728180,PC-id_9653282,EMOLS-id_46413411,ZINC22_15946511	499.022	OIYXDMMXCZFRFQ-RWPZCVJISA-N	00000000100000110100000000000010000000000000000000000000	31-01-151827
COc1c(OC)ccc(c1OC)/C=Nc1sc2c(c1C(=O)Nc1cccc(c1)Cl)CCCCC2	CoCoCo_6728183	499.022	KVNGNWCOBXDHHO-MBTHVWNTSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151828
Clc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)CCc3ccccc3)C)CC2)ccc(OC)c1OC	PC-id_42331596	499.025	VSBJGIAEADKKMF-GOSISDBHSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151829
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)CCc3ccccc3)C)CC2)ccc(OC)c1OC	PC-id_42331597	499.025	VSBJGIAEADKKMF-SFHVURJKSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151830
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)CCc3ccccc3)C)CC2)ccc(OC)c1OC	PC-id_74843866	499.025	VSBJGIAEADKKMF-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151831
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc(S(=O)(=O)N(CC)CC)cc1	PC-id_16509461	499.043	COMQFGZWXUDGEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151832
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2c(c1)CCN(CC2)C)CNC(=O)O	PC-id_77997455	499.046	ZQCVMKARIMTZCP-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-151833
ClC1=CCC(S1)C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1sc2c(c1)CCN(CC2)C)CNC(=O)O	PC-id_71055924,SCHEMBL14044949	499.046	ZQCVMKARIMTZCP-CNYCQXTOSA-N	00000011100000000100000000000010000000000000000000000000	31-01-151834
CCN1CCN(CC1)Cc1cc(ccc1O)CC1=NCc2c(C(=O)N1)c(nn2CC(=C)Cl)C(C)C	PC-id_142235685	499.048	UHEPLJMZDLTRAT-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-151835
Clc1c(c2oc(C[NH+]3CCn4c(nnc4[C@H](NC(=O)C4CC[NH+](CC4)C)C)CC3)cc2)cccc1	PC-id_42325099	499.048	YKHWLDHRIYPFQA-GOSISDBHSA-P	00000000101010110101100000000010000000000000000000000000	31-01-151836
Clc1c(c2oc(C[NH+]3CCn4c(nnc4[C@@H](NC(=O)C4CC[NH+](CC4)C)C)CC3)cc2)cccc1	PC-id_42325104	499.048	YKHWLDHRIYPFQA-SFHVURJKSA-P	00000000101010110101100000000010000000000000000000000000	31-01-151837
Clc1c(c2oc(C[NH+]3CCn4c(nnc4C(NC(=O)C4CC[NH+](CC4)C)C)CC3)cc2)cccc1	PC-id_74843420	499.048	YKHWLDHRIYPFQA-UHFFFAOYSA-P	00000000101010110101100000000010000000000000000000000000	31-01-151838
c1(NC(=O)c2ccc(Cn3c(C)c(c(C)n3)Cl)o2)sc2c(CCCCCCCCCC2)c1C#N	ZINC22_2111913,TIMTEC207852,CoCoCo_5810150,PC-id_1766783,EMOLS-id_4171547,MCULE-8729988693,SPECS-id_AK-968/41170923	499.068	HZVQFJJUWGWUDM-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-151839
CC(C(F)(F)F)NS(=O)(=O)C1=C2CCCCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_155278663	499.076	NDLYUBOIIODURN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151840
CC1=NC(=NO1)CC(=O)N[C@H]2CC[C@@H](OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F	PC-id_147843737	499.206	HTMCOYRHMLKDED-JKSUJKDBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151841
CCC1=NN(C2=C1C(=O)NCCCOCCC2)C[C@@H](C)COC(=O)C3=CC(=C(C=C3)F)C(F)(F)F	PC-id_153066294	499.209	VKLGQHVIOGUUML-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151842
CC1=NOC(=C1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_147042096	499.212	AZQKPCPQWACJRF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151843
CC(C)CC(C(=O)CC1CC2=NC(=CS2)CCCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_153041472	499.214	VFTUHCHNGGWCAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151844
CC(C)CC(C(=O)CC1CC2=NSC(=C2)CCCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_148263828	499.214	KSECYLATJANEHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151845
CC(C)CC(C(=O)CC1CCC2=C(CCCNC(=O)C1=O)C=NS2)NC(=O)OCC3=CC=CC=C3	PC-id_161002036	499.214	TVZWSUBOKFSQGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151846
CC(C)CC(C(=O)CC1CCC2=NC=C(S2)CCCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_161896475	499.214	YEVDEYYUTSYXOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151847
CC(C)CC(C(=O)CC1CCCC2=C(CCNC(=O)C1=O)SC=N2)NC(=O)OCC3=CC=CC=C3	PC-id_147686844	499.214	GQEWQAMGMWCANW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151848
CC(C)CC(C(=O)CC1CCCC2=NC(=CS2)CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_161459233	499.214	WBOPJAZAJCXEIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151849
CC(C)C(C(=O)CC1CCC2=C(CCCCNC(=O)C1=O)SN=C2)NC(=O)OCC3=CC=CC=C3	PC-id_147250735	499.214	CMQHCCVJJQJWOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151850
CN1N=CC(=N1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_161621617	499.223	WVZNKSDVZLFACO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151851
[n+]1(CC(=O)c2ccc(c(Cl)c2)Cl)c2CCCCCn2c(CNc2ccc(c(Cl)c2)Cl)n1	MCULE-6937835496,ZINC22_27526113,CoCoCo_6270883,PC-id_34883360,GD-id_ZINC27526113	499.24	FBKVERCSNLZMIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151852
CCOC(=O)c1c2-c(c(c1OS(=O)(=O)C(F)(F)F)C(=O)OCC)ccc(cc2)Br	PC-id_102108072	499.253	JNKJRDCERIZTSK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-151853
NC(=O)c1c(NC(=S)NC(=O)c2ccccc2I)sc2c1CCCCC2	ZINC22_32125414,PC-id_20166142	499.389	IBWRWTRVTBCOBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151854
NC(=O)c1c(NC(=S)NC(=O)c2cccc(I)c2)sc2c1CCCCC2	ZINC22_32125087,PC-id_20166146	499.389	UBTZGSOLQUSNCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151855
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCCC	PC-id_3323507	499.391	JMIPXJQXSYMDGS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-151856
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC(C)C	PC-id_4447361	499.391	CJGPUYMKQRBPQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-151857
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC	PC-id_4619140	499.391	AFEZWACHKPAGPI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-151858
Brc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_25130952,SCHEMBL13415538	499.4	ZGRXNNZBKYQARI-JXAWBTAJSA-N	00000010100010100101000000001010000000000000000000000000	31-01-151859
Brc1cc2C(=Cc3[nH]c4CCCN(CCN5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_74390396	499.4	ZGRXNNZBKYQARI-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-151860
COc1cc(C(=O)N(C)Cc2nnc3n2CCCCC3)cc(Br)c1OCc1ccccc1	MCULE-3529624694,CoCoCo_4453000,PC-id_16387902,ZINC22_9515882,EMOLS-id_11860642	499.4	ILXBCBRKQRNJSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151861
N#CC(c1nnc2n1CCCCC2)C(=O)c1sc2c(c1)c(nn2Cc1ccc(cc1Cl)Cl)C	PC-id_112821794	499.415	MYKDIZHUPJFEGS-UHFFFAOYSA-N	00000000100000110101000100000010000000000000000000000000	31-01-151862
O=C(N(Cc1ccccc1)C)C1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049503	499.604	DOEBJDWNFPCAOA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151934
N#CC(c1nnc2n1CCCCC2)C(=O)c1sc2c(c1)c(nn2Cc1c(Cl)cccc1Cl)C	PC-id_112772627	499.415	OTBHMGFVRLDZGK-UHFFFAOYSA-N	00000000100000110101000100000010000000000000000000000000	31-01-151863
c1(c2CCCCCc2sc1NC(=O)c1cccc(Br)c1)C(=O)Nc1ccccc1OC	CoCoCo_844889,MCULE-1034466998,STOCK2S-34262,PC-id_1877070,EMOLS-id_2420782,ZINC22_2248568	499.42	VHJPQSMZKJVTRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151864
c1(c2CCCCCc2sc1NC(=O)c1cccc(Br)c1)C(=O)Nc1ccc(cc1)OC	TIMTEC36422,CK1231765,ZINC22_4195854,EMOLS-id_2762057,PC-id_5095919,MCULE-3107690181,CoCoCo_1731163,SPECS-id_AG-667/37281044	499.42	RQFREIFEQCBSKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151865
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Br)C(=O)Nc1ccc(cc1)OC	ZINC22_2228028,STOCK2S-32840,PC-id_1859790,CoCoCo_845166,EMOLS-id_2177568,MCULE-3897343652	499.42	BHJWZQGKESTZOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151866
Brc1cc(CS(=O)(=O)CC(=O)NNC(=O)c2sc3CCCCCCc3c2)ccc1	PC-id_56030882	499.442	OMFWZAKWRVMXAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151867
Brc1n2c(c(n1)C(=O)CC(C(C)(C)C)C(=O)N(C)C)CN(CCC2)C(=O)OC(C)(C)C	PC-id_76657218	499.442	JOHAIEIUKJIRTQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151868
Brc1n2c(c(n1)C(=O)C[C@@H](C(C)(C)C)C(=O)N(C)C)CN(CCC2)C(=O)OC(C)(C)C	PC-id_58135630	499.442	JOHAIEIUKJIRTQ-CQSZACIVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151869
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)CC(CC(C)(C)C)C(=O)NC	PC-id_76657285	499.442	NSKKXGRGZXXJLM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151870
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)C[C@@H](CC(C)(C)C)C(=O)NC	PC-id_58135705	499.442	NSKKXGRGZXXJLM-AWEZNQCLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151871
Brc1cc2C(=Cc3[nH]c4CCCCN(CCN(CC)CC)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68526304	499.443	BMVCWBJOAYHLID-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-151872
Brc1cc2/C(=C/c3[nH]c4CCCCN(CCN(CC)CC)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL3140254,PC-id_59250046	499.443	BMVCWBJOAYHLID-CYVLTUHYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-151873
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(C)cc2Br)CC	PC-id_145511782	499.443	QYQLIRXNHRDGQO-JXAWBTAJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-151874
COC(=O)N(Cc1cc(ccc1Br)Cn1cnc2c1CCC=CC=C2)CCN1CCCC1	PC-id_143778370	499.443	DBQWANCOPYZXGX-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-151875
OC1N(CCCc2c1c(C)c([nH]2)/C=C/1C(=O)Nc2c1c(Br)ccc2)CCN1CCCCC1	PC-id_145511589	499.443	BNCYDAZLZVLJLO-ICFOKQHNSA-N	00000010100010100100000000001010000000000000000000000000	31-01-151876
c1(c(Br)c(nn1C)C)C(=O)NC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_995921,CoCoCo_6598006,TIMTEC121982,MCULE-3360236169,ZINC22_649486,EMOLS-id_4171705,SPECS-id_AK-968/41024575	499.445	DHRYRJCWAMMPBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151877
c1(c(Br)c(nn1C)C)C(=O)NC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_2217455,ChEMBL-DNDi_CHEMBL7905946,MCULE-8419110543,EMOLS-id_2006113,TIMTEC602797,ZINC22_2863849,STOCK5S-02653	499.445	ZSFXUKVFIJOMME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151878
c1(NC(=S)NC(=O)c2nn(cc2Br)CC)sc2c(CCCCC2)c1C(=O)OCC	PC-id_994365,MCULE-3369784596,SPECS-id_AK-968/41016988,CoCoCo_5806277,EMOLS-id_4171701,TIMTEC295448,ZINC22_647825	499.445	LTFYFGBOJBPBAI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151879
c1(NC(=S)NC(=O)c2nn(cc2Br)C)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC182248,ZINC22_12413895,MCULE-8787916366,EMOLS-id_6815928,PC-id_5295336	499.445	GXCZXNUBPJTYPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151880
Brc1cn(nc1C)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_20176464	499.488	PNHBIVWZNJLBFL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151881
Brc1cn(nc1C)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_20176457	499.488	VSVLKVPYRNXZMY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151882
Brc1cn(nc1)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_20178189	499.488	ZESBPJQFGSAYEU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151883
c1(NC(=S)NCCCn2c(C)c(c(C)n2)Br)sc2c(CCCCC2)c1C(=O)OC	TIMTEC461499,ZINC22_16360990,MCULE-9225329734,EMOLS-id_2243855,PC-id_2957223,CoCoCo_1000481	499.488	SWNSGAPBVDIDMI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151884
FC(F)(F)/C(=C(c1n2CCCCCc2nn1)/C#N)/OCc1nc(Nc2c(CC)cccc2)nc(n1)N	CoCoCo_3163616,PC-id_16278234,CoCoCo_3163619	499.492	COTIOCWVBSXMBM-XDJHFCHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151885
FC(F)(F)C(=C(c1n2CCCCCc2nn1)C#N)OCc1nc(Nc2c(CC)cccc2)nc(n1)N	MCULE-8041065937,PC-id_72091129,EMOLS-id_26056938	499.492	COTIOCWVBSXMBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151886
N#C/C(=C(C(F)(F)F)/OCc1nc(N)nc(n1)Nc1ccccc1CC)/c1nnc2n1CCCCC2	CoCoCo_3163618,CoCoCo_3163617	499.492	COTIOCWVBSXMBM-CYVLTUHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151887
CCOC(=O)c1ccc2-c1ccc(cc2)Nc1c(F)cc(cc1F)N1C[C@@H](OC1=O)CNC(=S)C	PC-id_143555303	499.53	ZAULYVSCBNBEJP-SFHVURJKSA-N	00000010100000110111100000000010000000000000000000000000	31-01-151888
S(=O)(=O)(Nc1sccn1)c1ccc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)cc1	PC-id_19527315	499.53	ZYLHGNPRJCLPSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151889
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)N2CC(CCC2)C(=O)OCC)cc1	PC-id_42854946	499.535	PWIVSHDXYIHPJK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151890
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NCC(=O)N2CCC(CC2)C(=O)OCC)cc1	PC-id_46159886	499.535	ACCCNDPOYFIROR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151891
O=C1C(CCn2c(N1C)cc(n2)/C=C/CCS(=O)(=O)O)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL19641452	499.543	NVOWQGWLTQDAKV-WEVVVXLNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151892
O=C1C(CCn2c(N1C)cc(n2)/C=C/COS(=O)(=O)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367279	499.543	WLBWOEFIIBWERU-RMKNXTFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151893
CCOC(=O)c1c(N)c(c2-c1ccc(cc2)CC(=O)N(OCC(=O)N1CCCC1)CC)C(=O)OCC	SCHEMBL8159933,PC-id_23296735	499.556	WYTSNFLYBFCOHX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-151894
FC(F)(F)CCC(=O)N[C@H]1CC[C@H](CCN2CCc3nc(CCC(F)(F)F)sc3CC2)CC1	BindingDB-id_989538,SCHEMBL21041485	499.556	XLEWIENHGJAYQF-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-151895
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)sc(n2)CCC(F)(F)F)CCC(F)(F)F	PC-id_138671117	499.556	XLEWIENHGJAYQF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151896
N#CC(=C(c1cc(c2-c1cccc(c2)C(C)C)C(=O)OC)C(=C(C#N)C#N)c1ccc(cc1)N(C)C)C#N	PC-id_102233615	499.562	XJTGUSGRTNFWED-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151897
C[C@@H](O)[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CCc2cn(CCNC(=O)[C@H](Cc3ccccc3)NC1=O)nn2	MCULE-8057058364,EMOLS-id_289961341	499.563	QSSIDQIJQWXMCM-MNDZRTMASA-N	00000000100000110101000000000010000000000000000000000000	31-01-151898
CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OCC	CoCoCo_2950703,EMOLS-id_3446357,PC-id_4848860,ZINC22_9544413,MCULE-4037141513	499.579	AJRVPOPNISFORX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151899
s1c2CCCCCc2c(c1NC(=O)COC(=O)c1c(NC(=O)C(C)C)cc(OC)c(OC)c1)C#N	PC-id_45664045	499.579	PFODSJARZAJASU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151900
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCCCC2	ZINC22_408972640	499.581	UBZCPCZUGJLHBA-RDRPBHBLSA-N	00000000101000110100100000000010000000000000000000000000	31-01-151901
C1CCNC(=O)c2csc(n2)N[C@H](C(=O)N[C@@H](C/C=CC1)C(=O)NCC(=O)O)Cc1ccccc1	PC-id_136673121	499.583	VOMUCPNMXIJTDZ-SILDZNLUSA-N	00000000100000110111000000000010000000000000000000000000	31-01-151902
C1CCNC(=O)c2csc(n2)N[C@@H](C(=O)N[C@@H](C/C=CC1)C(=O)NCC(=O)O)Cc1ccccc1	PC-id_136673122	499.583	VOMUCPNMXIJTDZ-UUPQHRMRSA-N	00000000100000110111000000000010000000000000000000000000	31-01-151903
COC[C@@H](Oc1cc(Oc2nc3c(s2)C(=O)NCC(C3)(C)C)cc(c1)C(=O)Nc1ccn(n1)C)C	SCHEMBL2072311,PC-id_15953198	499.583	JSUFOWBPELMMTD-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151904
s1c2c(nc1Oc1cc(OC(COC)C)cc(c1)C(=O)Nc1nn(cc1)C)CC(CNC2=O)(C)C	PC-id_73205019	499.583	JSUFOWBPELMMTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151905
COc1ccc(c(c1)/C=c
/s/c(=C(/c2nnc3n2CCCCC3)C#N)/n(c1=O)c1ccccc1)OC	CoCoCo_3609845,CoCoCo_3609846	499.584	PLLGVDXAZVDAOR-GZQTTWHHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151906
COc1ccc(c(c1)/C=c
/s/c(=C(c2nnc3n2CCCCC3)/C#N)/n(c1=O)c1ccccc1)OC	CoCoCo_3609847	499.584	PLLGVDXAZVDAOR-QIECMBPCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151907
COc1ccc(c(c1)C=c1sc(=C(c2nnc3n2CCCCC3)C#N)n(c1=O)c1ccccc1)OC	EMOLS-id_44488398,PC-id_4991484,MCULE-2702141779	499.584	PLLGVDXAZVDAOR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151908
COc1ccc(cc1OC)/C=c/1s/c(=C(c2nnc3n2CCCCC3)/C#N)/n(c1=O)c1ccccc1	CoCoCo_3609852,PC-id_2309420	499.584	OWJNUTWPMNGOAZ-OTHVAOFXSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151909
COc1ccc(cc1OC)/C=c/1s/c(=C(/c2nnc3n2CCCCC3)C#N)/n(c1=O)c1ccccc1	CoCoCo_3609853	499.584	OWJNUTWPMNGOAZ-PEEVVZBVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151910
COc1ccc(cc1OC)/C=c
/s/c(=C(/c2nnc3n2CCCCC3)C#N)/n(c1=O)c1ccccc1	CoCoCo_3609854	499.584	OWJNUTWPMNGOAZ-OJITZPQVSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151911
COc1ccc(cc1OC)C=c1sc(=C(c2nnc3n2CCCCC3)C#N)n(c1=O)c1ccccc1	MCULE-1320214154,PC-id_4077436,EMOLS-id_44488402	499.584	OWJNUTWPMNGOAZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151912
COc1ccc(/C=c/s/c(=C(/C#N)c3nnc4n3CCCCC4)/n(c3ccccc3)c2=O)cc1OC	CoCoCo_3609855,ZINC22_96793253	499.584	OWJNUTWPMNGOAZ-QECGDVHASA-N	00000000100000110101100000000010000000000000000000000000	31-01-151913
COc1ccc(OC)c(/C=c/2s/c(=C(/C#N)c3nnc4n3CCCCC4)/n(c3ccccc3)c2=O)c1	CoCoCo_3609844,PC-id_2317327,CHEMBL4583740,ZINC22_15906605	499.584	PLLGVDXAZVDAOR-RUIBNCROSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151914
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1cc(OC)c(OC)cc1)c1ccccc1	PC-id_2309417	499.584	OWJNUTWPMNGOAZ-MOOXQCHBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151915
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1c(OC)ccc(OC)c1)c1ccccc1	PC-id_2317324	499.584	PLLGVDXAZVDAOR-BSEGUSBWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151916
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)/c/1=C/c1c(OC)c(OC)ccc1)c1ccccc1	PC-id_2316719	499.584	HYXBTGDPBHTHTO-LZLGLKOHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151917
s1c(=C(c2n3CCCCCc3nn2)C#N)n(c(=O)c1=Cc1c(OC)c(OC)ccc1)c1ccccc1	PC-id_3309657	499.584	HYXBTGDPBHTHTO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151918
Cc1nc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(CCC(F)(F)F)sc4CC3)CC2)no1	BindingDB-id_989539,SCHEMBL21041490	499.593	HVGOTNRLMTVSFL-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151919
Cn1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1	BindingDB-id_989422,SCHEMBL21042316	499.593	YNYDYHAGYPXNNN-SAABIXHNSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151920
O=C(Cc1cnn(c1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671892	499.593	YNYDYHAGYPXNNN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151921
O=C(Cc1noc(n1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)CCC(F)(F)F	PC-id_138671122	499.593	HVGOTNRLMTVSFL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151922
c1(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)N	CoCoCo_5153028,EMOLS-id_5582400,PC-id_18575769,MCULE-2726634851,ZINC22_9714875	499.602	VIPNTCAAZLNXJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151923
c1(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)N	MCULE-7087736749,EMOLS-id_5582526,CoCoCo_5153103,PC-id_18575794,ZINC22_9715000	499.602	OZHSBUFZFNKTBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151924
c1(NC(=O)c2ccc(cc2)NS(=O)(=O)c2cccc(OC)c2)sc2c(CCCCC2)c1C(=O)N	EMOLS-id_6890134,PC-id_2241459,ZINC22_6267897,CoCoCo_4651529,MCULE-4015221879	499.602	QYPGVTVSVYPGEJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151925
CCCCNc1c(nc2n1C=CCC=C2C(=O)NC(C(=O)O)C)C(/C=C(C(=C/C=C)OC)/NOC)C	PC-id_143288195	499.602	WYQLMVKKSROQBL-BXMDUKPUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151926
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCCN1C(=O)/C(=C/c2cccnc2)/SC1=O	PC-id_16577672	499.602	JHCUJSBHRZBJMP-UNOMPAQXSA-N	00000010100000101101000000000010000000000000000000000000	31-01-151927
s1c2CCCCCCc2cc1C(=O)OCC(=O)NCCN1C(=O)C(=Cc2cccnc2)SC1=O	PC-id_73275591	499.602	JHCUJSBHRZBJMP-UHFFFAOYSA-N	00000010100000101101000000000010000000000000000000000000	31-01-151928
C[C@@H](c1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332212	499.604	MIHAYWIJXMJQTN-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151929
C[C@H](c1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	PC-id_93332213	499.604	MIHAYWIJXMJQTN-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151930
O=C(C1CCN(CC1)C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCCc1ccccc1	PC-id_46049483,MCULE-2271962227,EMOLS-id_25387232	499.604	NESQQSPXXQYRJS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151931
O=C(CC1C=CC=Cc2c1[nH]n(c2=O)CCN1CCCC1)NC1=C(N)CC(=CC(=C1)c1ccccc1)O	PC-id_142890643	499.604	XRCWIZLWRVQGQJ-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-151932
O=C(NC(c1ccccc1)C)C1N(CCCC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46159880	499.604	HGWVALFREYSOJT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151935
O=C(NCCc1ccccc1)C1N(CCCC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049469	499.604	ZUYOKILUZOVLQY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151936
O=C(CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)Nc1nc2CCCCCc2s1	MCULE-5002919291,EMOLS-id_335140265	499.606	AQENHQSXQKDERS-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-151937
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CN1CCN(CC1)CCO)Cc1ccccc1C#N	PC-id_134810935	499.607	TXBDVYDKGFWTMF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151938
Cc1cc(ccc1CNC(=O)c1cnn(c1)C(C)(C)C)c1ncnc(c1)Nc1nn2c(c1)CNCCC2	SCHEMBL16794179,PC-id_118139531	499.611	DWXKUYDJDJFWKG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151939
O=CCC(CC(=O)c1cn(c2c1C=CCC=C2)S(=O)(=O)C)CCCc1cc(OC)c(c(c1)OC)C	PC-id_141912071	499.619	MQPGVMZGMWIECO-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-151940
S(=O)(=O)(NCCc1ccc(OCC(=O)OC)cc1)c1c2-c(c(c1)CC)c(OC)ccc(c2)C(C)C	PC-id_9983416	499.619	WACGFPCETZSPDQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-151941
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc2OCOc2cc1)C(=O)OCC	PC-id_22199763	499.622	CICSBLNCXMLVCN-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-151942
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)Cc1cc2OCOc2cc1)C(=O)OC	PC-id_22199731	499.622	FUJURMNKLFFRRS-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-151943
c1(NC(=S)NNS(=O)(=O)c2ccc(c(OC)c2)OC)sc2c(CCCCC2)c1C(=O)OC	GD-id_ZINC20259219,EMOLS-id_4171899,PC-id_17378679,CoCoCo_6837299,MCULE-8170311048,ZINC22_20259219	499.624	ZFEOANUSRGOLGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151944
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC)C#N	PC-id_17307054	499.624	FUXSAIJTKHRPBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151945
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(F)cc1)C#N	PC-id_17305374	499.624	LTJBBESGWDJWDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151946
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)C)C#N	PC-id_17307032	499.624	XNYAZOZGGRLVJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151947
O=C(N1CCn2c(nnc2CC1)[C@H](NC(=O)C[NH+](C)C)CC(C)C)CCC(=O)c1ccc(OC)cc1	PC-id_42373002	499.626	LTAIKBQOGMOARR-OAQYLSRUSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151948
O=C(N1CCn2c(nnc2CC1)[C@@H](NC(=O)C[NH+](C)C)CC(C)C)CCC(=O)c1ccc(OC)cc1	PC-id_42373007	499.626	LTAIKBQOGMOARR-NRFANRHFSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151949
O=C(N1CCn2c(nnc2CC1)C(NC(=O)C[NH+](C)C)CC(C)C)CCC(=O)c1ccc(OC)cc1	PC-id_74800406	499.626	LTAIKBQOGMOARR-UHFFFAOYSA-O	00000000100000110101000000000010000000000000000000000000	31-01-151950
s1c2c(CCCCC2)c(c1NC(=O)C(n1nc(c2c(n(nc2)C(C)(C)C)c1=O)C)C)C(=O)OCC	PC-id_44036915	499.626	QRYUGKSDRDDBNJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-151951
CN(c1ccccc1)c1ccc(cc1)C[N@H+]1CCn2c(CC1)nnc2[C@H](C(C)C)NC(=O)c1ccoc1	PC-id_42424180,GD-id_ZINC12133586	499.627	BPADUQXFWFOEIS-MHZLTWQESA-O	00000000101000110101000000000010000000000000000000000000	31-01-151952
O=C(NC(c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C(C)C)c1ccoc1	PC-id_74802137	499.627	BPADUQXFWFOEIS-UHFFFAOYSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151953
O=C(N[C@@H](c1n2CC[NH+](CCc2nn1)Cc1ccc(N(c2ccccc2)C)cc1)C(C)C)c1ccoc1	PC-id_42424178	499.627	BPADUQXFWFOEIS-HHHXNRCGSA-O	00000000101000110101000000000010000000000000000000000000	31-01-151954
S(CC(=O)N(C1C(N(Cc2ccccc2)C(=O)NC1=O)N)CC(C)C)c1n2CCCCCc2nn1	PC-id_73251896	499.629	ZXUCBBHMFKIIDD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-151955
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1nnc(s1)C)F	PC-id_138670695	499.641	NNPBXXMVVOMUGH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-151956
FC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1nnc(s1)C)F	SCHEMBL21041039	499.641	NNPBXXMVVOMUGH-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-151957
COc1ccc(cc1)S(=O)(=O)N1CCc2c([C@H]([C@@H]1C(=O)O)CCc1cc(C)cc(c1)C)ccs2	PC-id_139966475	499.642	PCWFHRJZGNHRMV-ILBGXUMGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151958
COC(=O)[C@H]1[C@H](CCc2ccccc2)Cc2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966482	499.642	XSRBUIUEIURGII-PXDATVDWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151959
S(=O)(=O)(N1CC(c2c(scc2)CC1C(=O)O)CCc1cc(cc(c1)C)C)c1ccc(OC)cc1	PC-id_53714188	499.642	CCPFLZDPXGMTMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151960
S(=O)(=O)(N1C(C(Cc2c(scc2)CC1)CCc1ccccc1)C(=O)OC)c1ccc(OC)cc1	PC-id_76443849	499.642	XSRBUIUEIURGII-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151961
S(=O)(=O)(N1C(C(CCc2cc(cc(c2)C)C)c2c(scc2)CC1)C(=O)O)c1ccc(OC)cc1	PC-id_54182594	499.642	PCWFHRJZGNHRMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151962
S(=O)(=O)(N1[C@@H]([C@H](Cc2c(scc2)CC1)CCc1ccccc1)C(=O)OC)c1ccc(OC)cc1	PC-id_57016323	499.642	XSRBUIUEIURGII-OFVILXPXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151963
S(=O)(=O)(N1[C@@H]([C@@H](CCc2cc(cc(c2)C)C)c2c(scc2)CC1)C(=O)O)c1ccc(OC)cc1	PC-id_57116164	499.642	PCWFHRJZGNHRMV-ZCYQVOJMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151964
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1)cc2	PC-id_15291635,SCHEMBL9040406	499.644	NDRFNPOTFYARKR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-151965
CCOc1ccc(cc1OCC)NC(=O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C	GD-id_ZINC23777860	499.645	BGEKRTLQNVZEBK-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-151966
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(C(C)(C)C)cc1)C(=O)OC	PC-id_4589660	499.645	GAXIYTYSHPMTLV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151967
CC/C=CC1=C(C)N(CC(=O)N(c2ccccc2)C(C)C)C(=O)Cc2n1c(nn2)/C(=C/C=CCC)/C=C	PC-id_143384514	499.647	CNVMBYCXEDJXSM-KMJUMPJWSA-N	00000000100000110111000000000010000000000000000000000000	31-01-151968
N#Cc1c(NC(=O)CSc2nnc(n2c2ccc(cc2)F)[C@H]([NH+](C)C)C)sc2c1CCCCC2	GD-id_ZINC09781569,PC-id_41209349	499.647	OSQJTJSYFRDCOK-OAHLLOKOSA-O	00000000100000110101100000000010000000000000000000000000	31-01-151969
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)[C@@H]([NH+](C)C)C)c1ccc(F)cc1)C#N	PC-id_41209346	499.647	OSQJTJSYFRDCOK-HNNXBMFYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-151970
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C([NH+](C)C)C)c1ccc(F)cc1)C#N	PC-id_74752487	499.647	OSQJTJSYFRDCOK-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-151971
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)C)C(=O)OC	PC-id_20127708	499.649	LUYQETIDCWTESS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151972
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)C)C(=O)OC	PC-id_17303885	499.649	IYADFXVPLJMUOV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151973
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC=C)C(=O)OC	PC-id_17303732	499.649	QFGMATIANNEYDT-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-151974
s1c2CCCCCc2nc1NC(=O)c1cc(NC(=O)CC2SC(=NC2=O)N(CC)CC)ccc1	PC-id_24611774	499.649	OLYYUUZYEARXNH-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-151975
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1scc(n1)c1ccc([N+](=O)[O-])cc1	PC-id_30377072	499.649	NZYWBISZJPKNBG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-151976
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C=CC(=O)O[C@@H](C2)/C=C(C)/C=C/C=C/COC)/C)C)c1	PC-id_73054991	499.662	ZLDKZHVYBCAZOX-MIYNBTCQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151977
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C#CC(=O)O[C@@H](C2)/C=C(/C=C/CCCOC)C)/C)C)c1	PC-id_73055578	499.662	PCVCVFBMVBOTRA-QIALSFFZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151978
s1c2CCCCCCc2cc1C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1	PC-id_24421459	499.667	ALAWVRSUONEHJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151979
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1sccc1)C#N	PC-id_19725335	499.672	DIALHUKOQNFYHK-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-151980
s1c2CCCCCc2c(c1NC(=O)CSc1n(C[C@H]2OCCC2)c(nn1)c1sccc1)C#N	PC-id_25933925	499.672	DIALHUKOQNFYHK-HNNXBMFYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-151981
s1c2CCCCCc2c(c1NC(=O)CSc1n(C[C@@H]2OCCC2)c(nn1)c1sccc1)C#N	PC-id_25933926	499.672	DIALHUKOQNFYHK-OAHLLOKOSA-N	00000010100100000101100000000010000000000000000000000000	31-01-151982
s1c2CCCCCc2c(c1NC(=O)C(Sc1sc(NCc2ccc(OC)cc2)nn1)C)C#N	PC-id_24519382	499.672	CTTFNZPVAXROOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-151983
C=C/C=C(/COCCC[C@H](c1noc2c1C(=O)CCC(C2)CCC(C)C)CC(=O)OC(C)(C)C)C=C	PC-id_144615268	499.682	PHRKUDFMZPGTMB-JWLYBARDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-151984
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(CCCC)ccc1C#N)C(=O)OCC	PC-id_23833229	499.689	MPSIIHGOYPJJMI-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-151985
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(CC(C)C)ccc1C#N)C(=O)OCC	PC-id_24165397	499.689	SUPDPESROCZKJD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-151986
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc(cc1)C(=O)C)C(=O)OCC	PC-id_20408612	499.689	JILNYJZNVQATRD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-151987
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)C(=O)OCC	PC-id_20166792	499.689	KWWGPTQIGIRZSQ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-151988
c1(c2CCCCCCCCCCc2sc1NC(=O)c1ccc(cc1)OCC(C)C)C(=O)OC(C)C	ZINC22_20468727,PC-id_4289316,MCULE-4957044851,EMOLS-id_4171949,TIMTEC280268,CoCoCo_6806616	499.705	LCFBGFFQCHURNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151989
c1(c2CCCCCCCCCCc2sc1NC(=O)C(C)Oc1ccc(cc1)CC)C(=O)OC(C)C	PC-id_4635224,MCULE-7892149453,EMOLS-id_4171947,TIMTEC452092	499.705	SMAHPOXPQGHIQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151990
CCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCCCCCCC3)cc1	PC-id_28721714,CoCoCo_6799016,ZINC22_20192673	499.705	SMAHPOXPQGHIQW-OAQYLSRUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151991
CCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCCCCCCC3)cc1	ZINC22_20192671,CoCoCo_6799017,PC-id_28721711	499.705	SMAHPOXPQGHIQW-NRFANRHFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151992
[OH+]=C1C(=CC(=C(c2cc(c3-c2ccccc3)C)c2cc(c3-c2ccccc3)C)C=C1C(C)(C)C)C(C)(C)C	PC-id_101706331	499.705	WGTCQGOWHWPIRG-UHFFFAOYSA-O	00000010100011000110000000000010000000000000000000000000	31-01-151993
s1c2c(CCCCCCCCCC2)c(c1NC(=O)c1ccc(OCCCC)cc1)C(=O)OC(C)C	PC-id_4615034	499.705	GYKOKXVWQRWAIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-151994
[Si](OC(C(C1OC(=O)c2nc(oc2)CC(OC)C=CC=CC#CC1)(C)C)C=CC)(C(C)(C)C)(C)C	PC-id_85323801	499.714	HBPWXCUZWZCWAV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151995
[Si](O[C@@H](C([C@H]1OC(=O)c2nc(oc2)C[C@H](OC)/C=C/C=CC#CC1)(C)C)/C=C/C)(C(C)(C)C)(C)C	PC-id_10940026	499.714	HBPWXCUZWZCWAV-NNAAOPIJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-151996
s1c2CCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(CC)c(sc1)C)C#N	PC-id_19721936	499.715	WDANUSBZUQTISX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-151997
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CCC)C#N	PC-id_19719652	499.715	FPKCBOJBPYTMFP-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-151998
s1c2CCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CCC)C#N	PC-id_19719808	499.715	VRPJOCNLSHIVDJ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-151999
s1c2CCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)C(C)C)C#N	PC-id_19720426	499.715	OKWOEDIGGFLZQS-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152000
s1c2CCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C(C)C)C#N	PC-id_19720582	499.715	JNZGUEYDLVIHFF-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152001
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CCC)C#N	PC-id_19721826	499.715	IGHSSIZSIUJUAY-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152002
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CC)C#N	PC-id_19718886	499.715	DZSOUWJKHVLZKO-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152003
s1c2CCCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CC)C#N	PC-id_19719040	499.715	LGPOYBYZIWOPQR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152004
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1c(c(sc1)C)C)C#N	PC-id_19721184	499.715	KSBZYUPNKHGLJU-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152005
s1c2CCCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(c(sc1)C)C)C#N	PC-id_19721337	499.715	WBBAIRKVQGYRMY-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152006
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC)C#N	PC-id_17299874	499.715	FSSUBTPTEWHXJH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152007
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC)C#N	PC-id_19719344	499.715	HMLXFQSPPUUEBZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152008
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC)C#N	PC-id_19720117	499.715	LLXYGUPVZDJEAM-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152009
C[c+]1ccc(cc2c1[C+](C=c1ccc(=Cc3cc(c4-c3c(C)ccc(c4)C(C)C)C)n1C)C=C2C)C(C)C	PC-id_101479047	499.728	LNAUBGAOGPZLCL-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-152010
O=C1NCCN(C1)C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700368	499.871	DDHDZXCYRSZJNL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152011
Clc1c([N+](=O)[O-])cc(NC(=O)C(OC(=O)Cn2nc3n(CCCCC3)c2=O)c2ccccc2)cc1	MCULE-7316065428,EMOLS-id_17209944,PC-id_42945149	499.904	VCHURLUTLRGFME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152012
O=C(Cn1nc2n(c1=O)CCCCC2)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	ZINC22_24972401,CoCoCo_4692013,PC-id_32283251	499.904	VCHURLUTLRGFME-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152013
O=C(Cn1nc2n(c1=O)CCCCC2)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	ZINC22_24972408,CoCoCo_4692014,PC-id_32283257	499.904	VCHURLUTLRGFME-OAQYLSRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152014
CC1NCCN(C1)C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700498	499.914	OZUJWEZQJJNNNA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152015
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCNCC2C)cc(c1)C(F)(F)F	PC-id_117616546,SCHEMBL16129735	499.914	UUAZKGIYPBTRMN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152016
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCNCCC2)cc(c1)C(F)(F)F	PC-id_140700479	499.914	YAXJKCXXOTTZOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152017
CN1CCN(CC1)C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_117616547,SCHEMBL16129736	499.914	XQHWSXYOQWRZTR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152018
CNC1CCN(C1)C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700524	499.914	HCCVFFIUODDXDY-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-152019
CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)c1ccccc1Cl	MCULE-7097799958,TIMTEC21588,EMOLS-id_4405998,PC-id_3841958,STOCK1S-73836	499.934	YAULMDJBESLTBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152020
CCOC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	ZINC22_2281376,PC-id_1905160	499.934	YAULMDJBESLTBO-NRFANRHFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152021
CCOC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	ZINC22_2281377,PC-id_1905161	499.934	YAULMDJBESLTBO-OAQYLSRUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152022
C1CN(CCC1(F)F)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1cc(ccc1)Cl	PC-id_134805272	499.983	SNGVHSQDNMSNSV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152023
COC(=O)c1c(NC(=O)COC(=O)c2cc(S(=O)(=O)C)ccc2Cl)sc2c1CCCCC2	PC-id_16270828,ZINC22_13074469,MCULE-6495439772,EMOLS-id_11669752,CoCoCo_2894326	499.985	NIWJWQJGUZXRBE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152024
Clc1c(C[NH+]2CCn3c(nnc3[C@@H](NC(=O)c3ncccc3)C(C)C)CC2)cc(OC)c(OC)c1	PC-id_42237780	500.013	IPYICOAOBLWLNO-QHCPKHFHSA-O	00000000100000111101000000000010000000000000000000000000	31-01-152025
Clc1c(C[NH+]2CCn3c(nnc3[C@H](NC(=O)c3ncccc3)C(C)C)CC2)cc(OC)c(OC)c1	PC-id_42237781	500.013	IPYICOAOBLWLNO-HSZRJFAPSA-O	00000000100000111101000000000010000000000000000000000000	31-01-152026
Clc1c(C[NH+]2CCn3c(nnc3C(NC(=O)c3ncccc3)C(C)C)CC2)cc(OC)c(OC)c1	PC-id_74784683	500.013	IPYICOAOBLWLNO-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-152027
Clc1sc(OC(=O)NC2C(OC)CN(C2)C(=O)c2sc3c(C(OC)CN(CC3)C)c2)cc1	PC-id_77593848	500.031	ARGNLPPXERFQIX-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-152028
Clc1sc(OC(=O)N[C@H]2C(OC)CN(C2)C(=O)c2sc3c(C(OC)CN(CC3)C)c2)cc1	SCHEMBL4433466,PC-id_69042176	500.031	ARGNLPPXERFQIX-WLYUNCDWSA-N	00000010100100000100000000000010000000000000000000000000	31-01-152029
Clc1ccc(c2oc(C=CC(=O)NC(=S)Nc3sc4c(CCCCC4)c3C(=O)N)cc2)cc1	PC-id_4019534	500.033	NWPYSBWXQSKRAR-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-152030
CN(Cc1ccccc1)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1cc(ccc1)Cl	PC-id_134806571	500.034	ZACGJYJZKQQUHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152031
Clc1ccc(n2c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nc(=O)cc2N)cc1	PC-id_5123798	500.036	AGMRXRRIKYUSHV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152032
c1(NC(=O)c2c(C)onc2c2ccccc2Cl)sc2c(CCCCCCCCCC2)c1C(=O)N	PC-id_1758669,EMOLS-id_5128192,MCULE-3478519997,ZINC22_2103437,TIMTEC321725,SPECS-id_AK-968/40732563,CoCoCo_5832228	500.053	MWNZMAKNYQBTLR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152033
Clc1ccc(Cc2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)cc1	PC-id_20124148	500.079	NLAFEGBHLZKXRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152034
CCOC(=O)c1c(nc2-c1ccccc2)Nc1c(Br)c2-c(c1Br)ccccc2	PC-id_101582078	500.183	FQLKBMBOBQDFNI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-152035
Clc1c(P(c2c(Cl)c3-c(c2Cl)ccccc3)c2ccccc2)c(c2-c1ccccc2)Cl	PC-id_102277158	500.183	WQZFGOABORAQPI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152036
CC(C)NC(=O)C1=C(N(CC(C2=C(NN=C12)C(F)(F)F)(C)C)C(=O)C3=CC(=C(C=C3)F)F)COC	PC-id_155203791	500.185	ZUTLVQXHBYUTJU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152037
C1CC(CCC1CCN2CCC3=C(CC2)SC(=N3)OCC(F)(F)F)CC(=O)CCC(F)(F)F	PC-id_160898289	500.193	SPDXSYRKJXUROC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152038
CC1=NC=C(O1)CC(=O)NC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)F)F	PC-id_147776161	500.207	HGWMAJKXWQKIMH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152039
CC1=NN=C(O1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_161033651	500.207	TZYQPOPCBVQLSY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152040
CC1=NOC(=N1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160629958	500.207	RHUGWPRVGKMGFB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152041
CC1=NON=C1CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_161100513	500.207	UIIXDIQSAGTGSO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152042
CN1N=CC(=N1)CC(=O)NC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_149093269	500.218	QSUZKISJHDJAOP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152043
BrCc1cc2n(n1)CCCN(C2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90456173,SCHEMBL16094158	500.233	DLGXPOXURCHUGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152044
CC1=CC(=C(C(=O)C1)CN2CCCC3=C(C2=O)C(=C(S3)[C@H](C)C4CCN(CC4)CC(C)(C)F)C)C	PC-id_161421504	500.287	SXVPUNQSIAAIRL-HXUWFJFHSA-N	00000000100011000100000000000010000000000000000000000000	31-01-152045
C1(F)(F)C(F)(F)C(F)(F)C(C(F)(F)C1(F)C(=O)Nc1sc2c(CCCCC2)c1C#N)(F)F	CoCoCo_6792099,TIMTEC192278,ZINC22_97945211,MCULE-4378366989,PC-id_5063869,EMOLS-id_4172125	500.329	HILDZGQHDJVPTR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-152046
Brc1cc2C(=Cc3[nH]c4CCCN(CCN5CCOCC5)C(=O)c4c3C)C(=O)Nc2nc1	PC-id_68527819	500.388	MSSBRPSTWULVFL-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-152047
Brc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2nc1	SCHEMBL3144668,PC-id_25114697	500.388	MSSBRPSTWULVFL-ATVHPVEESA-N	00000010100010100101000000001010000000000000000000000000	31-01-152048
Brc1cnc2c(c1)/C(=Cc1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCOCC1)/C(=O)N2	SCHEMBL14136775	500.388	MSSBRPSTWULVFL-SFQUDFHCSA-N	00000010100010100101000000001010000000000000000000000000	31-01-152049
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)N(P(=O)(OC)O)OC	SCHEMBL7305456,PC-id_88125552	500.393	OZEHAALKNVNCEZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-152050
Ic1ccc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_20408913	500.417	XGOYJSASBPHMLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152051
Ic1ccc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_20408906	500.417	PYFHDRRITZYOQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152052
Ic1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cccc1	PC-id_20409296	500.417	FESACXYHRBHNHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152053
Ic1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cccc1	PC-id_20409289	500.417	BSYHCDGNYVETTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152054
Brc1c2sc(CSCCCCCCCCCCCCSC2)c1Br	PC-id_10720190	500.418	OWOBXPWVPAHXTL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152055
Brc1ccc(cc1)NC(c1ccccc1)C(=O)N/N=C/c1ccc2-c1c(C)cc(cc2C)C	EMOLS-id_316211956	500.43	FHYFYYZXJCBZGZ-OCSSWDANSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152056
Brc1ccc(cc1)NC(c1ccccc1)C(=O)NN=Cc1ccc2-c1c(C)cc(cc2C)C	MCULE-8677413590	500.43	FHYFYYZXJCBZGZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152057
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)NC(CC(C)(C)C)C(=O)NC	PC-id_76571543	500.43	NTTNFJQDPNSIBS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152058
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)NC(C(C)(C)C)C(=O)N(C)C	PC-id_76571544	500.43	AZFXPRRLOZCSKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152059
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)N[C@@H](CC(C)(C)C)C(=O)NC	PC-id_57635112,SCHEMBL12883233	500.43	NTTNFJQDPNSIBS-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152060
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)N(C)C	SCHEMBL12883210,PC-id_57635131	500.43	AZFXPRRLOZCSKX-OAHLLOKOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152061
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(F)c(F)c(c(F)c1F)C(F)(F)F)C(=O)OC	PC-id_20170425	500.453	GZVGUPBSAWZGMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152062
S1/C(=C(/c2n3c(nn2)CCCCC3)C#N)/N(C(=C1)c1ccc(OCC)cc1)CC=C.Br	CHEMBL1402623	500.454	XYHLAEYJCOVFGO-IMPZXOFZSA-N	00000011100000110101100000000010000000000000000000000000	31-01-152063
CC(CCCCC1(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)COc2c(OC1)csc2)C	PC-id_122223594	500.462	NOXLSOGQHLFAIA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152064
COCC1=C(C(=O)NC(C)C)c2c(C(CN1C(=O)c1ccc(c(c1)F)F)(C)C)[nH]nc2C(F)(F)F	SCHEMBL19659092	500.462	FEGYEJUIDWJQBR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152065
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C(=O)O)C(=O)O	SCHEMBL9335174,PC-id_19102849	500.499	FORUKDIIOAMXQY-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-152066
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1cc2c(cc1)OCO2)Cc1ccccc1F	PC-id_134804855	500.521	MYNFZBZAPPNLOY-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-152067
CCOc1cc(ccc1OC)[C@H](n1c(=O)[nH]/c/2=C/C(=CCCC/C=c/12)C(F)(F)F)CS(=O)(=O)C	PC-id_142291972	500.531	BGULMJBOIODDPW-CSDFWQDRSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152068
COc1cc(ccc1OC(=O)/C=C/c1ccc(c(c1)OC)OC)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3733866,PC-id_5847087	500.546	WBQSKJIJOWYIRV-RMFULTEWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152069
COc1cc(ccc1OC(=O)/C=Cc1ccc(c(c1)OC)OC)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3733867	500.546	WBQSKJIJOWYIRV-VWDAIKGWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152070
COc1cc(ccc1OC(=O)/C=Cc1ccc(c(c1)OC)OC)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3733868	500.546	WBQSKJIJOWYIRV-YJXVQIIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152071
COc1cc(ccc1OC(=O)C=Cc1ccc(c(c1)OC)OC)C=C(c1nnc2n1CCCCC2)C#N	PC-id_3509530,MCULE-1959605707,EMOLS-id_301000952	500.546	WBQSKJIJOWYIRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152072
COc1cc(ccc1OC(=O)/C=C/c1ccc(c(c1)OC)OC)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_75408729,CoCoCo_3733869	500.546	WBQSKJIJOWYIRV-JFCNABASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152073
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OCC(=O)N)cc1)C)C(=O)OCC	PC-id_19659145	500.567	IQEWQDKMCSUGDB-MZJWZYIUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152074
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OCC(=O)N)cc1)C)C(=O)OCC	PC-id_73633641	500.567	IQEWQDKMCSUGDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152075
Cc1nc(sc1CCc1oc2=CC(C=CC=c2n1)CC(C(=C)O)(C)C)c1ccc(cc1)C(F)(F)F	PC-id_143069216	500.576	LICJYMVTJBYQIM-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-152076
Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)o1	BindingDB-id_989514,SCHEMBL21041049	500.577	OGKVKDKJRLURJP-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152077
O=C(Cc1cnc(o1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670705	500.577	OGKVKDKJRLURJP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152078
O=C(Cc1ncc(o1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671143	500.577	XZBSKOQGALNYCW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152079
O=C(Cc1ncc(o1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041513	500.577	XZBSKOQGALNYCW-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152080
O=C(Cc1noc(c1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671227	500.577	MMKFQIUTJKSNIY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152081
O=C(Cc1noc(c1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041602	500.577	MMKFQIUTJKSNIY-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152082
O=C(Cc1onc(c1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671171	500.577	SEPDKEBBSQXQNB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152083
O=C(Cc1onc(c1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041542	500.577	SEPDKEBBSQXQNB-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152084
CCC1=C(N=c2c(=C(C1)COc1cccc(c1)NC(=O)C=C)cc[nH]2)Nc1ccc(cc1)OCCOC	PC-id_137052022	500.589	FSKOPDNQDVEEKW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-152085
Cc1nn2c(c1)C(=O)C(CCC2)C(=O)c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1	SCHEMBL13423871,PC-id_58563716	500.59	FKSMOFBXRATCSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152086
O=C1NC(Cc2nnn(CCCCC(NC(=O)OCc3ccccc3)C(=O)NC1CC(C)C)c2)CO	PC-id_78106201	500.591	ZHYXJSAHOYMOMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152087
O=C1NC(CCCCn2nnc(CC(NC(=O)OCc3ccccc3)C(=O)NC1CC(C)C)c2)CO	PC-id_78106119	500.591	LOPKFAHJIXIMAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152088
O=C1N[C@@H](Cc2nnn(CCCC[C@H](NC(=O)OCc3ccccc3)C(=O)N[C@H]1CC(C)C)c2)CO	PC-id_71545459	500.591	ZHYXJSAHOYMOMI-FKBYEOEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152089
O=C1N[C@@H](CCCCn2nnc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N[C@H]1CC(C)C)c2)CO	PC-id_71545296	500.591	LOPKFAHJIXIMAZ-BVSLBCMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152090
O=C(CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)Nc1nc2CCCCCc2s1	EMOLS-id_335086270,MCULE-7505222776	500.594	GCQIKIAFVGBVNO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152091
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1nc(cc1C1CC1)C(F)(F)F)C(=O)OC	PC-id_20174870	500.601	HTELMJYKPLFFCW-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-152092
CCN(CC)CCNC(=O)CCN(CC)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-4008695838,PC-id_46049535,EMOLS-id_25386840	500.609	CUNSJTRDFSQPJC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152093
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(F)cc1)CC=C)C(=O)OC	PC-id_19729720	500.609	NZRNOGCYTQNWRY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152094
CC1=CCC(=CC=NCCN(CCc2cccn12)S(=O)(=O)c1cc(c(cc1)OC)NC(=O)C)OC	PC-id_91071540	500.61	CGYFJPVGKSSVMB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152095
CC(CC(C(=O)NC1Cc2nsc(c2)CCCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730600,SCHEMBL21109755	500.61	HUCAOASOJCNPKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152096
CC(CC(C(=O)NC1Cc2scc(n2)CCCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138731803,SCHEMBL21111025	500.61	RJODFZZFXHWKDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152097
CC(CC(C(=O)NC1CCc2ncc(s2)CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21109631,PC-id_138730476	500.61	ZHZRKYHWGCISDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152098
CC(CC(C(=O)NC1CCc2nsc(c2)CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21111163,PC-id_138731902	500.61	HTRJBUQIIPXODX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152099
CC(CC(C(=O)NC1CCc2scc(n2)CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138731213,SCHEMBL21110373	500.61	JFCVTFTXZPRLOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152100
CC(CC(C(=O)NC1CCc2sncc2CCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21110882,PC-id_138731667	500.61	SUVZDSZLIDGCLN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152101
CC(CC(C(=O)NC1CCCc2ncsc2CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21109571,PC-id_138730416	500.61	BRZIWYMXQROABM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152102
CC(CC(C(=O)NC1CCCc2nsc(c2)CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138731202,SCHEMBL21110362	500.61	UYEFHQNIMCSPHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152103
CC(CC(C(=O)NC1CCCc2scc(n2)CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138730953,SCHEMBL21110111	500.61	MTIQHDRYGFWQTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152104
O=C(NC(C(=O)NC1Cc2ncsc2CCCCCNC(=O)C1=O)C(C)C)OCc1ccccc1	SCHEMBL21109847,PC-id_138730690	500.61	ZEHJEUQMRCVOGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152105
O=C(NC(C(=O)NC1CCc2cnsc2CCCCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138730626,SCHEMBL21109781	500.61	VGMCXUCLICRIJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152106
O=C(NC(C(=O)NC1CCCCc2csnc2CCNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731191,SCHEMBL21110351	500.61	CTCSPRIUQYXSRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152107
C=C1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)CCC(=O)N1CCN(CC1)S(=O)(=O)C	PC-id_143188641	500.614	WMHQNVQWLFAJGT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152108
O=C(c1cc2-c(ccc1C(=O)OC(C)(C)C)c(cc2OC(C)(C)C)C(=O)OC(C)(C)C)OC(C)(C)C	PC-id_101347665	500.624	VQAYINDVBTZMQR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-152109
O=C(N(C(C(=O)NC(C)(C)C)c1ccc2-c(cc1)ccc2)Cc1ccccc1)c1cc2-c(c1)ccccc2	PC-id_102027633	500.63	WSDNTDZXEDVBMR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152110
ONC(=O)[C@H]1[C@H](CCc2ccccc2)Cc2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966466	500.63	WYQHTHYEJAFJBX-HYBUGGRVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152111
S(=O)(=O)(N1C(C(Cc2c(scc2)CC1)CCc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_76444579	500.63	WYQHTHYEJAFJBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152112
S(=O)(=O)(N1[C@@H]([C@H](Cc2c(scc2)CC1)CCc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_57021039	500.63	WYQHTHYEJAFJBX-RDPSFJRHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152113
CCc1c(c(ccc1)CC)NC(=O)c1nn(c2c1CCCC(=CN(C)C)C2=O)Cc1ccc(cc1)OC	SCHEMBL15377280,PC-id_89895389	500.632	DDCQPBFGGYQMAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152114
CCc1cccc(c1NC(=O)c1nn(c2c1CCC/C(=CN(C)C)/C2=O)Cc1ccc(cc1)OC)CC	SCHEMBL15377279	500.632	DDCQPBFGGYQMAB-FCDQGJHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152115
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccccc1)C(=O)OC	PC-id_19733241	500.634	MBTVSWUZQJZGBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152116
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC)C(=O)OC	PC-id_19730788	500.634	FVAKHTYMVIPAEI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152117
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)C)C(=O)OCC	PC-id_19730768	500.634	OGTVVCAGQHGWHZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152118
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)C)C(=O)OC	PC-id_19732164	500.634	IODYYYGPNJNEAQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152119
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)CC)C(=O)OC	PC-id_19730594	500.634	CKALWUASEIUYFL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152120
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)C)C(=O)OCC	PC-id_19730570	500.634	KYDKJNZPIZQHBI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152121
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)CC=C)C(=O)OCC	PC-id_19726288	500.634	SFHHVWDQNLRGEU-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-152122
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)CC)C(=O)OC	PC-id_19730392	500.634	HWMLGOBIRARMKT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152123
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)C)C(=O)OCC	PC-id_19730365	500.634	WXTXFYYGQQHOQC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152124
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)C)C(=O)OC	PC-id_19731812	500.634	VPTDKTDESLKTPV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152125
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)C)C(=O)OC	PC-id_20123749	500.634	KXKOXCQMTVXEOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152126
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)C)C(=O)OC	PC-id_17304516	500.634	NMGXDFOQGYUKQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152127
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)C)C(=O)OC	PC-id_19634795	500.634	FTSGXBMHLFPPTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152128
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)C)C(=O)OC	PC-id_21164911	500.634	HYTIIBTWBWQVNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152129
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)C)C(=O)OC	PC-id_21165121	500.634	IXTKYDHTYCHBQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152130
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)C)C(=O)OCC	PC-id_17302326	500.634	JICODBLHRXVZBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152131
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)C)C(=O)OC	PC-id_17301741	500.634	XPKGZCQJHJDFTL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152132
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)C)C(=O)OC	PC-id_19730522	500.634	CQUVVLJYCRKHPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152133
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(occ1)C)CC=C)C(=O)OC	PC-id_19726228	500.634	LMIKQDSCPCPHBT-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-152134
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)C)C(=O)OC	PC-id_17301629	500.634	ZVBJOTCWCSUFEA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152135
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)C)C(=O)OC	PC-id_17263296	500.634	IXYNOZMTEZHMFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152136
C#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1OC	ZINC22_408969012	500.652	FUZBNTIZRUEIAP-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-152137
C#CCOc1c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cccc1OC	ZINC22_408970901	500.652	AISPSUSBXXNWSF-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-152138
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccc(F)cc1)C)C(=O)OCC	PC-id_19677166	500.652	LJXCRXBDJCAAHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152139
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(F)ccc1)C)C(=O)OCC	PC-id_20171188	500.652	JDRKWSCSQIIAPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152140
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(F)cccc1)C)C(=O)OCC	PC-id_20172326	500.652	GLQULNYGHNDETN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152141
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccc(F)cc1)C)C(=O)OC	PC-id_19677161	500.652	FYEDNPGEODTGQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152142
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(F)ccc1)C)C(=O)OC	PC-id_20171181	500.652	MJHRWQPFBPYDCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152143
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(F)cccc1)C)C(=O)OC	PC-id_20172319	500.652	OQWWZBCSKXSAEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152144
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2sccc2)ccc1)C(=O)OC	PC-id_18911120	500.653	IYNVXIIBWVONIO-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-152145
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1SNc1noc(c1C)C)C(=O)CCCC2	PC-id_142070354	500.655	LFDWMIDUBUWLRV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152146
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CC2)ccc1)CC)C(=O)OCC	PC-id_18908910	500.673	DUCCXJDQPURJMW-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-152147
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C2CCCCC2)ccc1)C(=O)OC	PC-id_18911780	500.673	FRLYPJKLZOZFFB-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-152148
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CC2)ccc1)CC)C(=O)OC	PC-id_18908911	500.673	PYKWDUVLLNZUTK-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-152149
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CC2)ccc1)C)C(=O)OCC	PC-id_18908846	500.673	GRYYGCJRJNIOQL-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-152150
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)COc1c(C(C)C)ccc(c1)C	PC-id_30377119	500.696	KARFGCVGOXHIJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152151
SCCCc1cc(cc(c1)C#N)NC(C(=C)c1c[nH]c2=CCCCC=c12)C1=NN2C(C1)CN(CC2)C	PC-id_139374575,SCHEMBL21228647	500.701	ATFDCIUKWVIDPT-UHFFFAOYSA-N	00000011100010110111000000000110000000000000000000000000	31-01-152152
Oc1c(C(C)(C)C)cc(C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)cc1C(C)(C)C	PC-id_10649076	500.713	GWVYOJPSVMLCDM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152153
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)CN2CCOCC2)cc(c1)C(F)(F)F	PC-id_140700381	500.899	WDJZSPLCSVFUPQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152154
OC1CCN(C1)CC(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700394	500.899	FVERRSZNFHSOSA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-152155
F[C@@H]1C[C@H](N(C1)C(=O)Cc1cc(c2-c1ccc(cc2)O)C(=O)C)C(=O)NCc1cccc(c1F)Cl	SCHEMBL17032874,PC-id_118330258	500.922	QOKNWEJHLZZMGK-HXOBKFHXSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152156
Cl/C=C/C=C/1C(=C)Nc2c(CN1C(=O)c1ccc(cc1F)OCCCN1CCNCC1)cnn2C	PC-id_143188908	500.996	VPTYMHLYHFKXSG-YQKDECFUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152157
CCC(C(CC(NC(=O)c1n(C)cc2c1OCC(NS2(=O)=O)(C)Cc1cccnc1)C)Cl)F	SCHEMBL21337357,PC-id_139471359	501.014	SPIJNDKWRBDWOA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-152158
Cc1c(cc(cc1)N1CCCN(CC1)/C(=C/C=CC(=C)Cl)/C)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478316	501.062	NMRNMFHAYJCWQQ-HSSYZRNUSA-N	00000010100000110111100000000010000000000000000000000000	31-01-152159
ClC(=C)/C=CC=C(N1CCCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C)/C	SCHEMBL13077156	501.062	NMRNMFHAYJCWQQ-XXDFYRFBSA-N	00000010100000110111100000000010000000000000000000000000	31-01-152160
CC1=CN=C(O1)CC(=O)C[C@H]2CC[C@@H](OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160098305	501.191	OUBISNHMSQQCJD-SJLPKXTDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152161
CC([C@H]1C(=O)NCCOCCOCC(=O)N[C@H](C2=NOC(=N2)[C@@H](NC(=O)N1)CC(=O)N)CCO)O	PC-id_164782516	501.218	BMGLDZCRRTVXOC-IMBDAFASSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152162
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC5CCC5	PC-id_160389972	501.248	QDZJMQKOOJDGKB-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-152163
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N[C@@H](C(=O)OC1C(C)C)C)O)/C	PC-id_155208373	501.248	VQNWNKSWWORSDJ-ZIZOHQNWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152164
C[C@@H]1/C=C/C(=O)NCC=CC(=C[C@H](CC(=O)CC2=NC(=CO2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)C	PC-id_52193331,PC-id_160476178	501.248	VQNWNKSWWORSDJ-MQSFIAOISA-N	00000000100000000111000000000010000000000000000000000000	31-01-152165
CCOC(=O)c1c(Nc2ccc(cc2F)I)sc2c1CC(C)(C)CNC2=N	PC-id_69070037,SCHEMBL4503719	501.357	BESAJEAAZKGBGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152166
[n+]1(CC(=O)c2ccc(C)cc2)c2CCCCCn2c(CNc2ccccc2I)n1	MCULE-2783689823,PC-id_71692665	501.383	KOUQOBUSLXLZIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152167
Brc1c2NC(=O)C(=Cc3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)c2cc(F)c1	PC-id_25115840	501.391	DVFBOFIMVTVVFP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-152168
Fc1cc(Br)c2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCC1)/C(=O)N2	SCHEMBL3143940	501.391	DVFBOFIMVTVVFP-LGMDPLHJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-152169
Brc1ccc(S(=O)(=O)NC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_45112349	501.414	KAZJYCATDHKQOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152170
CCCC(CC)CCCCC(C)CCCCCCCCCN1C(=O)CC(Cc2c(C1=O)n(cn2)C)C	PC-id_163778295	501.429	MMJXKSIWSUDHMB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152171
COCC1=C(C(=O)OC(C)C)c2c(C(CN1C(=O)c1ccc(c(c1)F)F)(C)C)[nH]nc2C(F)(F)F	SCHEMBL19659089	501.446	RCGHKMVHQWJTCL-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152172
COCC1=C(C(=O)OC(C)C)c2[nH]nc(c2C(CN1C(=O)c1ccc(c(c1)F)F)(C)C)C(F)(F)F	SCHEMBL19659346	501.446	PKNHVTUOGTVOKN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152173
CCOC(=O)c1ccc2-c1ccc(cc2)Nc1ccc(cc1F)N1C[C@@H](OC1=O)CNC(=O)C(F)F	PC-id_143554973	501.454	LYVKDMAAYNLYMJ-KRWDZBQOSA-N	00000010100000110111100000000010000000000000000000000000	31-01-152174
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)NC2C1=C(Br)C=CCC2)CC	PC-id_145511815	501.459	PFMNLGHLDVRJQJ-ICFOKQHNSA-N	00000010100000000110000000000110000000000000000000000000	31-01-152175
CCN(CCN1CCCCc2c(C1=O)c(C)c([nH]2)/C=C(/c1cc(Br)ccc1N)C=O)CC	PC-id_145511601	501.459	DEGOTRHXHOGUOL-NBVRZTHBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152176
FC(F)Oc1ccc(/C=C/C(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1F	SCHEMBL17112998,PC-id_118394559,BindingDB-id_913874	501.461	ZVBXGHZQUZNITD-DUXPYHPUSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152177
FC(Oc1ccc(cc1F)C=CC(=O)N1CCn2c(CC1)cc(n2)C(=O)N1CCc2c(C1)nn[nH]2)F	SCHEMBL17113000	501.461	ZVBXGHZQUZNITD-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152178
s1c(c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c2c(cc(nc12)C(F)F)C)C(=O)N	PC-id_19523721	501.473	PRVPRMYAFLOQQV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-152179
N=C(CC(C)(C)C)CCn1c(Sc2cc3OCCc3cc2Br)nc2=C(N)CC=CC=c12	PC-id_144029270	501.482	BYMPCJLRRZZPJZ-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-152180
COC(N1CC(C)(C)c2c(C(=C1CC)C(=O)OC(C)C)n[nH]c2C(F)(F)F)c1ccc(c(c1)F)F	PC-id_145409524	501.489	HRGBASIHFNSVAN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152181
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(c(c1C(=O)OCC)C)C(=O)OCC	PC-id_19527321	501.519	IVSVRJIWCLDCFA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-152182
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(c(c1C(=O)OC)C)C(=O)OCCC	PC-id_19523638	501.519	RTUZPYNWMNFRCL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-152183
CCOC(=O)c1c(NC(=O)C)c(c2-c1ccc(cc2)C(C(=O)OCC)(C(=O)OCC)C)C(=O)OCC	PC-id_102461571	501.526	KCWQIMXTIJHDEL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-152184
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)CCC(F)(F)F	PC-id_138671368	501.529	VJCSBNQWOYYPHX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152185
O=C(N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)CCC(F)(F)F	SCHEMBL21041751	501.529	VJCSBNQWOYYPHX-SHTZXODSSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152186
CCOC(=O)c1c(Nc2ccccc2N2C=C[C@@H](C(=C2C(=O)OC)C(=O)OC)C)nc2-c1ccccc2	CoCoCo_5727492,NSC663403	501.53	WOSCBOHUEAAULY-KRWDZBQOSA-N	00000010100011110110100000000010000000000000000000000000	31-01-152187
CCOC(=O)c1c(Nc2ccccc2N2C=C[C@H](C(=C2C(=O)OC)C(=O)OC)C)nc2-c1ccccc2	CoCoCo_5727493	501.53	WOSCBOHUEAAULY-QGZVFWFLSA-N	00000010100011110110100000000010000000000000000000000000	31-01-152188
O(C(=O)C1=C(N(c2c(Nc3nc4-c(c3C(=O)OCC)ccccc4)cccc2)C=CC1C)C(=O)OC)C	PC-id_379127	501.53	WOSCBOHUEAAULY-UHFFFAOYSA-N	00000010100011110110100000000010000000000000000000000000	31-01-152189
C[C@@H](O)[C@@H]1NC(=O)[C@H](CO)NC(=O)CCc2cn(CCNC(=O)[C@H](Cc3ccccc3)NC1=O)nn2	MCULE-4238382018,EMOLS-id_289989291	501.536	ZCWSJGYANQDYNT-FBVAEJEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152190
N#Cc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)CN1CCOc2n(CC1)cc(n2)[N+](=O)[O-]	PC-id_145578211	501.537	GXHWEIPPCXICEB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-152191
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc([N+](=O)[O-])cc1)C(F)(F)F)C(=O)OCC	PC-id_19687590	501.542	ASOZWBMFAWNYME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152192
O=C(Cc1cnn(c1)C)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041544,PC-id_138671173	501.566	OSFDMORZYXPTEN-DLBZAZTESA-N	00000000100010000101000000000010000000000000000000000000	31-01-152193
O=C(Cc1nnc(o1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671194	501.566	DLRIYGGJGZNVSD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152194
O=C(Cc1nnc(o1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041566	501.566	DLRIYGGJGZNVSD-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-152195
O=C(Cc1noc(n1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670339	501.566	UEOUWYRAYXTAGP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152196
O=C(Cc1noc(n1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21040677	501.566	UEOUWYRAYXTAGP-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-152197
O=C(Cc1nonc1C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671196	501.566	GOJBUOPPHSNYIO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152198
O=C(Cc1nonc1C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041568	501.566	GOJBUOPPHSNYIO-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-152199
O=C(Cc1onc(n1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671471	501.566	RHTQZIAOFGRTOS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152200
O=C(Cc1onc(n1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041855	501.566	RHTQZIAOFGRTOS-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-152201
c12coc(CC(=O)CC(O)C=C(C)C=CCNC(=O)C=CC(C)C(C(C)C)OC(=O)C(C)NC1=O)n2	PC-id_3149823,CNP0250462,MCULE-1389150364,PD066873	501.572	VQNWNKSWWORSDJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152202
CC1=C[C@H](O)CC(=O)Cc2nc(co2)C(=O)N[C@H](C)C(=O)O[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=C1	ZINC22_254310585	501.572	VQNWNKSWWORSDJ-FLFXDLLNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152203
CC1=C[C@H](O)CC(=O)Cc2nc(co2)C(=O)N[C@H](C)C(=O)O[C@@H](C(C)C)[C@H](C)C=CC(=O)NCC=C1	ZINC22_254310591	501.572	VQNWNKSWWORSDJ-FVJVTNMWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152204
Brc1n(c2c(C(=O)CCN(COCC[Si](C)(C)C)C2=O)c1)COCC[Si](C)(C)C	SCHEMBL7837404,PC-id_11762857	503.578	WWKKIHXOQBWDDU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-152506
CC1=C[C@H](O)CC(=O)Cc2nc(co2)C(=O)N[C@H](C)C(=O)O[C@H](C(C)C)[C@@H](C)C=CC(=O)NCC=C1	ZINC22_254310595	501.572	VQNWNKSWWORSDJ-UAKAABGRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152205
CC1=C[C@H](O)CC(=O)Cc2nc(co2)C(=O)N[C@H](C)C(=O)O[C@@H](C(C)C)[C@@H](C)C=CC(=O)NCC=C1	ZINC22_254310601	501.572	VQNWNKSWWORSDJ-YDLHNXBPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152206
CC(C)C1OC(=O)C(C)NC(=O)c2coc(CC(=O)CC(O)/C=C(C)/C=C/CNC(=O)/C=C/C1C)n2	EMOLS-id_1450734,SCHEMBL20717890,BAS-04381625	501.572	VQNWNKSWWORSDJ-JYXGQRMOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152207
O1C(C(C)C)C(C)C=CC(=O)NC/C=C/C(=C/C(O)CC(=O)Cc2occ(n2)C(=O)NC(C1=O)C)/C	PC-id_22524539	501.572	VQNWNKSWWORSDJ-PVEIICOFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152208
O1[C@H](C(C)C)[C@H](C)C=CC(=O)NC/C=C/C(=C/[C@@H](O)CC(=O)Cc2occ(n2)C(=O)N[C@@H](C1=O)C)/C	PC-id_16401514	501.572	VQNWNKSWWORSDJ-FMCMMVRDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152209
O1[C@H](C(C)C)[C@@H](C)C=CC(=O)NC/C=C/C(=C/[C@@H](O)CC(=O)Cc2occ(n2)C(=O)N[C@H](C1=O)C)/C	PC-id_25199898	501.572	VQNWNKSWWORSDJ-VLKDLPSKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152210
O1[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=CC(=C[C@@H](O)CC(=O)Cc2occ(n2)C(=O)N[C@@H](C1=O)C)C	PC-id_52193329	501.572	VQNWNKSWWORSDJ-ZVVFGRKBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152211
O1[C@H](C(C)C)[C@H](C)C=CC(=O)NC/C=C/C(=C[C@@H](O)CC(=O)Cc2occ(n2)C(=O)N[C@@H](C1=O)C)C	PC-id_52193330	501.572	VQNWNKSWWORSDJ-FZDCKDMHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152212
O=C1NC/C=C/C(=C/[C@@H](O)CC(=O)Cc2nc(C(=O)N[C@H](C(=O)O[C@H]([C@H](/C=C/1)C)C(C)C)C)co2)/C	CoCoCo_318962	501.572	VQNWNKSWWORSDJ-VQHJNWFVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152213
O=C1NC/C=C/C(=C/[C@@H](O)CC(=O)Cc2nc(C(=O)N[C@@H](C(=O)O[C@@H]([C@@H](/C=C/1)C)C(C)C)C)co2)/C	SCHEMBL20717887	501.572	VQNWNKSWWORSDJ-CXXKWEQDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152214
O=C1NC/C=C/C(=C/[C@@H](O)CC(=O)Cc2nc(C(=O)N[C@H](C(=O)O[C@@H]([C@@H](/C=C/1)C)C(C)C)C)co2)/C	UNPD193803	501.572	VQNWNKSWWORSDJ-CXYXDTMISA-N	00000000100000000111000000000010000000000000000000000000	31-01-152215
O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](c2n([C@@H]1COCc1ccccc1)nnc2)O	PC-id_102242452	501.574	PKVAETNIXWIWLZ-DKHHQXCASA-N	00000000100000110101000000000010000000000000000000000000	31-01-152216
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)C=Cc1ccccc1)C(=O)OC	PC-id_3299689	501.575	WIUXZDIKPLMSMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152217
COc1ccc(cc1)NC(=O)C1CCN(CC1)C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1	MCULE-7187557031,PC-id_46049478,EMOLS-id_25387054	501.577	SBXZOAXTMVJRQP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152218
O=C(N1C(CCCC1)C(=O)Nc1ccc(OC)cc1)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46159879	501.577	YWRYIXOQGBFUPZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152219
O1C[C@@H](NC(=O)[C@H](NC(=O)NC(Cc2ccc(nc2)N)C(=O)O)Cc2ncn(CCCC1)c2)C(C)C	SCHEMBL1430317,PC-id_67028852	501.579	ZBXPPSDIYDYAHO-YSSMNDQQSA-N	00000000100000101101000000000010000000000000000000000000	31-01-152220
O1C[C@@H](NC(=O)[C@H](NC(=O)N[C@@H](Cc2ccc(nc2)N)C(=O)O)Cc2ncn(CCCC1)c2)C(C)C	SCHEMBL2213910,PC-id_44545141	501.579	ZBXPPSDIYDYAHO-HSALFYBXSA-N	00000000100000101101000000000010000000000000000000000000	31-01-152221
O1CC(NC(=O)C(NC(=O)NC(Cc2ccc(nc2)N)C(=O)O)Cc2ncn(CCCC1)c2)C(C)C	PC-id_75047351	501.579	ZBXPPSDIYDYAHO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-152222
CCNc1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)CN(C(=O)OC(C)(C)C)C	SCHEMBL691139,PC-id_87142396	501.598	DZVHGOVVSZYFEP-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-152223
CCN(c1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)N(C)C)C(=O)OC(C)(C)C	PC-id_87289830,SCHEMBL1770632	501.598	HJASHMOIURCDGW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-152224
Cc1ccc(cn1)CN(C(=O)C1CCCCc2c1cc(s2)C)c1ccc(c(c1)C(F)(F)F)N(C)C	PC-id_140052635	501.607	RAOYTSOCOXJUNL-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-152225
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccccc1)CC)C(=O)OCC	PC-id_53292909	501.618	ABVVKXREVQPAKW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152226
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(OCC)cc1)C(=O)OCC	PC-id_4609878	501.618	MFRIPKIEMQDJKO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152227
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[n+](noc1[O-])c1ccccc1)C(=O)OCC	PC-id_53294179	501.618	QGXQYVRTEHIVCJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152228
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccccc1)CC)C(=O)OC	PC-id_53292955	501.618	TWNHZMBOZDVECD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152229
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccccc1)C)C(=O)OCC	PC-id_53292587	501.618	OHYFPBQTQSNVAK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152230
c1(ccccc1)CCNC(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1ccc(cc1)C)C2=O	EMOLS-id_25388948,MCULE-2087880190,PC-id_46049979	501.62	DJMPWFIGZOCHOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152231
c1(ccccc1)CCNC(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O	MCULE-7458249816,EMOLS-id_25388940,PC-id_46050028	501.62	NNWMPSAHEDGKTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152232
c1(ccccc1)C(C)NC(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O	PC-id_46050025,MCULE-1871356171,EMOLS-id_25388204	501.62	XABOXSMXEJUJOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152233
c1cccc(CN(C)C(=O)CCN(CC)C(=O)c2cc3n(n2)CCCN(Cc2ccc(cc2)C)C3=O)c1	PC-id_46049707,EMOLS-id_25388046,MCULE-6223018401	501.62	QPGKPASWSVCLOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152234
c1cccc(CN(C)C(=O)CCN(CC)C(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)c1	EMOLS-id_25388002,PC-id_46049754,MCULE-2190840495	501.62	NLUSCEVNZSSVQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152235
CCN(C(=O)c1cc2n(n1)CCCN(C2=O)Cc1cccc(c1)C)CCC(=O)N[C@H](c1ccccc1)C	PC-id_93332514	501.62	XABOXSMXEJUJOK-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152236
CCN(C(=O)c1cc2n(n1)CCCN(C2=O)Cc1cccc(c1)C)CCC(=O)N[C@@H](c1ccccc1)C	PC-id_93332515	501.62	XABOXSMXEJUJOK-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152237
CCNC(=O)c1cccc(c1c1ccc(cc1)C(N1C(=O)CCCc2c1cc[nH]2)N)C(=O)CC(N)(C)C	SCHEMBL8625116,PC-id_67644088	501.62	AGTCBLAEQIBWKX-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-152238
CCNC(=O)c1ccccc1c1ccc(cc1)CN1C(=O)C(CCc2c1cc[nH]2)NC(=O)CC(N)(C)C	SCHEMBL8909325,PC-id_19067076	501.62	QNYQWKAYEHQVAB-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-152239
CCNC(=O)c1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1cc[nH]2)NC(=O)CC(N)(C)C	PC-id_22870098,SCHEMBL8909331	501.62	QNYQWKAYEHQVAB-XMMPIXPASA-N	00000000100000110100100000000010000000000000000000000000	31-01-152240
CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1C)CCC(=O)N(Cc1ccccc1)C	PC-id_46049784,MCULE-5183749848,EMOLS-id_25388114	501.62	LQKZXLHTVJGOQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152241
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NC(c1ccccc1)C)Cc1ccccc1	PC-id_46049902	501.62	IJRAZDXXQNUVOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152242
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NCCc1ccccc1)Cc1ccccc1	PC-id_46049906	501.62	MCFAFIMIVZZKLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152243
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NC(c1ccccc1)C)CC)Cc1c(cccc1)C	PC-id_42855136	501.62	PRYWJJJFAOZUNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152244
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCCc1ccccc1)CC)Cc1c(cccc1)C	PC-id_42855138	501.62	UXINIGMGROLRMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152245
O=C1O[C@@H](C/C=C(/C)Cc2ccc([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)o2)/C(=C/c1csc(n1)C)/C	PC-id_101368503	501.635	NCWAXTABAPEXQS-IXJZEFDISA-N	00000000100000000111000000000010000000000000000000000000	31-01-152246
O=C1O[C@@H](C/C=C(/C)Cc2ccc([C@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)o2)/C(=C/c1csc(n1)C)/C	PC-id_101413908	501.635	NCWAXTABAPEXQS-BNLABJTQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152247
s1cc(nc1C)C=C(C1OC(=O)CC(O)C(C(=O)C(C(O)c2oc(CC(=CC1)C)cc2)C)(C)C)C	PC-id_72778252	501.635	NCWAXTABAPEXQS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152248
s1cc(nc1C)/C=C(/[C@H]1OC(=O)C[C@H](O)C(C(=O)[C@H]([C@@H](O)c2oc(CC(=CC1)C)cc2)C)(C)C)C	PC-id_11167987	501.635	NCWAXTABAPEXQS-CHIRBVNOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152249
s1cc(nc1C)/C=C(/[C@H]1OC(=O)C[C@H](O)C(C(=O)[C@H]([C@H](O)c2oc(CC(=CC1)C)cc2)C)(C)C)C	PC-id_11272018	501.635	NCWAXTABAPEXQS-UFNDFPJQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152250
s1cc(nc1C)/C=C(/[C@H]1OC(=O)C[C@H](O)C(C(=O)[C@H]([C@@H](O)c2oc(C/C(=C/C1)/C)cc2)C)(C)C)C	PC-id_23230509	501.635	NCWAXTABAPEXQS-HEPRYWRUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152251
s1cc(nc1C)/C=C(/[C@H]1OC(=O)C[C@H](O)C(C(=O)[C@H]([C@H](O)c2oc(C/C(=C/C1)/C)cc2)C)(C)C)C	PC-id_23231508	501.635	NCWAXTABAPEXQS-OEHOHRJGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152252
COC(=O)c1c(NC(=O)COC(=O)/C(=Cc2cccs2)/c2cccs2)sc2c1CCCCC2	CoCoCo_2976238	501.638	HIPQFDKRCMUXTR-LGMDPLHJSA-N	00000000100100000100000000000010000000000000000000000000	31-01-152253
COC(=O)c1c(NC(=O)COC(=O)C(=Cc2cccs2)c2cccs2)sc2c1CCCCC2	PC-id_3589472,EMOLS-id_43740764,MCULE-1046456938	501.638	HIPQFDKRCMUXTR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-152254
COC(=O)c1c(NC(=O)COC(=O)/C(=C/c2cccs2)/c2cccs2)sc2c1CCCCC2	ZINC22_3370327,CoCoCo_2976237,PC-id_2488175	501.638	HIPQFDKRCMUXTR-GHRIWEEISA-N	00000000100100000100000000000010000000000000000000000000	31-01-152255
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2C)CCCCCC3)ccc1OCC#N	ZINC22_409016629	501.64	QXFQMZKYSRBLDE-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-152256
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2)CCCCCC3)ccc1OCC#N	ZINC22_409011951	501.64	GVMALXGOQKDSMJ-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-152257
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCCCC3)ccc1OCC#N	ZINC22_409019203	501.64	VZHYWEUGAJVXTD-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-152258
C1CCCc2cc(c([nH]2)C=c2c(cc(=C3C=CC=N3)[nH]2)OCc2ccccc2)C(CC1)Cc1ccccc1	PC-id_87588379	501.661	BBBLINKGWLSVOE-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-152259
C1CCCc2cc(c([nH]2)/C=C/C(=CC(=N2)c2ccc[nH]2)OCc2ccccc2)C(CC1)Cc1ccccc1	PC-id_135767902,SCHEMBL3873735	501.661	KEUCHFQPOSBRGP-NVMPUMLXSA-N	00000011110000110100100000000010000000000000000000000000	31-01-152260
C1CCCc2cc(c([nH]2)C=C2C(=CC(=N2)c2ccc[nH]2)OCc2ccccc2)C(CC1)Cc1ccccc1	SCHEMBL3873739,PC-id_136414744	501.661	KEUCHFQPOSBRGP-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-152261
c1(NC(=S)Nc2ccc(cc2)C(=O)N2CCOCC2)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-2596173088,ZINC22_2857506,EMOLS-id_2243917,CoCoCo_1000606,PC-id_2210768,TIMTEC307340	501.661	MGOXGMHGAYPOMH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152262
Cc1ccc(cc1)S(=O)(=O)N1CCn2c(C(C1)CNS(=O)(=O)c1c(C)cc(cc1C)C)ccc2	PC-id_101877842	501.661	ZHBTWEOGOKBJMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152263
Cc1ccc(cc1)S(=O)(=O)NCc1ccn2c1CCN(CC2)S(=O)(=O)c1c(C)cc(cc1C)C	PC-id_101877838	501.661	ILIGJJBXURIGQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152264
O(c1/c(=C/c2[nH]c3CCCCCCC(c2c3)Cc2ccccc2)/[nH]/c(=C/2N=CC=C2)/c1)Cc1ccccc1	PC-id_18176970	501.661	BBBLINKGWLSVOE-SXEJXDAHSA-N	00000011110000110100100000000010000000000000000000000000	31-01-152265
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s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1cc2OCOc2cc1)C(=O)OCC	PC-id_19655381	501.661	WCEZOSHLNWGCDC-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-152267
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s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC)C(=O)OCC	PC-id_20127344	501.665	RWVMSUSKBJOKBN-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-152269
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC)C(=O)OC	PC-id_20127258	501.665	BYTIVLOJDKAJJU-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-152270
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C=CC(=O)O[C@@H](C2)/C=C(/C=C/CCCOC)C)/C)C)c1	PC-id_73055275	501.678	QGCUVAHDEVJOGQ-LJEIYTPMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152271
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s1cc(nc1C)C=C(C1OC(=O)CCC(C(=O)C(C(O)C(CCCn2c(ncc2)C1)C)C)(C)C)C	PC-id_77937689	501.681	YLLIFPKMGAYTDQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152273
CC(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC(F)(C)C	SCHEMBL19553727	501.7	WSVBHYZAQNNVLE-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-152274
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s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1cc(OC)ccc1)C(=O)OCC	PC-id_20175404	501.704	CLZXXPZCRLAISX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152277
CCCCCCCCCCCC[C@H]1C(=Nn2c(N(C1=O)CCCCCCCCCCCC)nnc2)C	PC-id_139049202	501.791	OIWKHVGWLGMBEI-NDEPHWFRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152278
O=C1N(c2n(N=C(C1CCCCCCCCCCCC)C)cnn2)CCCCCCCCCCCC	CT-id_1544294	501.791	OIWKHVGWLGMBEI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152279
Brc1cc(Cl)c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_20413390	501.888	PODCHBUCOINCTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152280
Brc1c(Cl)cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_19687672	501.888	WHJNLOAIMAJGOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152281
F[C@@H]1C[C@H](N(C1)C(=O)Cc1cc(c2-c1ccc(cc2)O)C(=O)N)C(=O)NCc1cccc(c1F)Cl	PC-id_118332608,SCHEMBL17035466	501.91	SODXWBJUGLMZJF-VFNWGFHPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152282
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C[N+]2([O-])CCNCC2C)cc(c1)C(F)(F)F	PC-id_144720840	501.93	OUYGAMKVEFJJKB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152283
CC(c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)C(F)(F)F)NC1=NCCS1	PC-id_90461268,SCHEMBL16100691	501.953	RYSLTOGXHKFGOR-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-152284
Clc1c2c(sc1C(=O)NCC(=O)OCC(=O)Nc1sc3CCCCCc3c1C#N)cccc2	PC-id_16496607	502.006	SVIXJTPWKONJGG-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-152285
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC1COC(O1)(C)C)Nc1c(cc(cc1)C#C)Cl)C	PC-id_91516192	502.026	ASSRTMNSFYMSCA-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-152286
O=C(N1CCCN(c2c1ccs2)Cc1ccccc1)c1ccc(cc1)NC(=O)c1ccccc1Cl	PC-id_139709996	502.027	RZOAEUBOFQPQHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152287
Clc1cc(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)c(OC)cc1	PC-id_19731590	502.052	ZNJQWPJKLDACBI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152288
Clc1cc(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)c(OC)cc1	PC-id_19731490	502.052	RWDOFINNSVFPCH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152289
Clc1ccc(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc1	PC-id_17268696	502.052	VHMUGGUPDFMHEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152290
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc1)C	PC-id_19634167	502.052	ZCNVTWDQKJYBBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152291
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc1)C	PC-id_20121880	502.052	KWJMDRGJMAAOOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152292
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc1	PC-id_19733390	502.052	KJSXQDSUVCGDBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152293
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)C)ccc1	PC-id_17270612	502.052	HTVKJWJSKVMGBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152294
Clc1c(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cccc1	PC-id_19631901	502.052	IKHOJOOPESYZED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152295
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc(cc1)C	PC-id_20129025	502.052	WHHDVJQAQBURKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152296
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)C)cccc1	PC-id_19638535	502.052	BHWRIUHJVWPWLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152297
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cccc1	PC-id_19631816	502.052	FLJMPNBTCWSPOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152298
Clc1nnc(Nc2ccc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_20167346	502.052	IZDZMIGQUVEGNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152299
Clc1nnc(Nc2ccc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cc2)cc1	PC-id_20167339	502.052	FKKONOJECNSOCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152300
Clc1sc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_41100109	502.07	QKNRPGMIOUTMAO-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-152301
Clc1sc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_44027733	502.07	XNPUMKPYZYGCNM-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-152302
Clc1sc(S(=O)(=O)N2C(CCCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_44028892	502.07	RATIPRRDQCQRJO-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-152303
CCC(OC(c1ccc(c(c1)C/C/1=C/C(C)c2c(COC(/C=C1)C)ccn2C)Cl)CC(O)C)CO	PC-id_144174008	502.085	YSBKCBICZQDPPX-CMOLYFGSSA-N	00000000100000110110000000000010000000000000000000000000	31-01-152304
c1(NC(=O)C2CC2c2ccc(cc2)Cl)sc2c(CCCCCCCCCCC2)c1C(=O)OCC	TIMTEC457253,PC-id_5172670,MCULE-2517901012,EMOLS-id_4173172,SPECS-id_AK-968/41923414	502.108	SRUPYYRLDDSRMM-UHFFFAOYSA-N	00100000100000110100100000000010000000000000000000000000	31-01-152305
CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)sc2c1CCCCCCCCCCC2	CoCoCo_6814582,ZINC22_8455256,PC-id_40737758	502.108	SRUPYYRLDDSRMM-GOTSBHOMSA-N	00100000100000110100100000000010000000000000000000000000	31-01-152306
CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)sc2c1CCCCCCCCCCC2	CoCoCo_6814584,ZINC22_8455255,PC-id_40737757	502.108	SRUPYYRLDDSRMM-XZOQPEGZSA-N	00100000100000110100100000000010000000000000000000000000	31-01-152307
CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)sc2c1CCCCCCCCCCC2	CoCoCo_6814585,ZINC22_8455254,PC-id_40737756	502.108	SRUPYYRLDDSRMM-PKTZIBPZSA-N	00100000100000110100100000000010000000000000000000000000	31-01-152308
CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)sc2c1CCCCCCCCCCC2	PC-id_40737755,ZINC22_8455253,CoCoCo_6814583	502.108	SRUPYYRLDDSRMM-DHIUTWEWSA-N	00100000100000110100100000000010000000000000000000000000	31-01-152309
C[C@@H](CCC1=CC=C(C=C1)F)C2C=CC3=C(N(C=C3S(=N)(=O)N2)C)C(=O)NC4=CC(=C(C=C4)F)F	PC-id_147241786	502.165	CKXLZRJINGJUOB-SURROPESSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152310
CC1=NON=C1CC(=O)C[C@H]2CC[C@@H](OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160830256	502.186	SGSAJZDJICMQNX-NVXWUHKLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152311
CC(C)NC(C1=C(N(CC(C2=C1C(=NN2)C(F)(F)F)(C)C)C(=O)C3=CC(=C(C=C3)F)F)COC)O	PC-id_147110634	502.2	BMKXRSXQULCUDD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152312
COc1c(Br)cc(Br)cc1C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	GD-id_ZINC32125172,ZINC22_32125172,PC-id_21234845	502.22	LCPFAEZUOWQVMN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152313
C1CC(CCC1CCN2CCC3=C(CC2)SC(=N3)OCC(F)F)CC(=O)C4=C5C=CC=NN5C=C4	PC-id_160359995	502.221	QAHQBADPAJTFBG-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-152314
C1CC(CCC1CCN2CCC3=C(CC2)SC(=N3)OCC(F)F)CC(=O)C4=CC=CN5C4=CC=N5	PC-id_162242312	502.221	ZWWBKZVRVBUATO-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-152315
CC(C)CC(C(=O)CC1CC2=C(CCCCCNC(=O)C1=O)NN=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_160101695	502.225	OUMCNYITHULZND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152316
CC(C)CC(C(=O)CC1CCC2=C(CCCCNC(=O)C1=O)NN=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_161367072	502.225	VPYJRTYVNNABMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152317
CC(C)CC(C(=O)CC1CCCC2=C(CCCNC(=O)C1=O)NN=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_153173132	502.225	WEPXBOZCYUGEMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152318
O=C1C(CCn2c(N1C)cc(n2)C(F)(F)F)NC(=O)c1ncn(n1)Cc1cccc(c1Cl)Cl	SCHEMBL19641465	502.277	PDFHNCSYVIIWKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152319
O=C1[C@H](CCn2c(N1C)cc(n2)C(F)(F)F)NC(=O)c1ncn(n1)Cc1cccc(c1Cl)Cl	SCHEMBL18366913	502.277	PDFHNCSYVIIWKI-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152320
O=C1[C@@H](CCn2c(N1C)cc(n2)C(F)(F)F)NC(=O)c1ncn(n1)Cc1cccc(c1Cl)Cl	SCHEMBL18366916	502.277	PDFHNCSYVIIWKI-GFCCVEGCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152321
CCOC(=O)c1c(Nc2ccc(cc2F)I)sc2c1CC(C)(C)CNC2=O	PC-id_57403743,SCHEMBL4019351	502.342	QXINTPBKWYTXMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152322
Brc1ccc(NC(=O)c2c(NC(=O)CNCc3ccco3)sc3CCCCCc23)cc1	MCULE-5589419462,SPECS-id_AE-848/42024448,TIMTEC484918,CoCoCo_6728338,PC-id_3309085,EMOLS-id_2784836,ZINC22_8430048	502.424	UQKUPXKVLPUNRC-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-152323
CCC1CCc2nc(n(c2C(=O)N(C1=O)C)Cc1cccc(c1)Br)SCc1ncc[nH]1	SCHEMBL19560449	502.427	VCASBQFQNIJJRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152324
C1Cc2c(CN(C1)C(=O)CC(F)(F)F)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	SCHEMBL20696242,PC-id_86267511	502.453	HTBOGQCYYUPGLT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-152325
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)[N+](=O)[O-])[N+](=O)[O-]	SCHEMBL9335285,PC-id_19102869	502.475	CUAARIUHLWXBPS-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-152326
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cc(Oc2cc(cc(c2)C)C)cc([N+](=O)[O-])c1	PC-id_19523699	502.486	QNUJHZDFSRBQMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152327
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cc(Oc2c(ccc(c2)C)C)cc([N+](=O)[O-])c1	PC-id_19523738	502.486	RKIIKQQTBDVZKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152328
O=C1[C@H](CCn2c(N1C)cc(n2)CCN1CC(C1)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367447	502.492	NVSLZCVXSJMTGW-SFHVURJKSA-N	00001000100000110101000000000010000000000000000000000000	31-01-152329
O=C1[C@@H](CCn2c(N1C)cc(n2)CCN1CC(C1)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367448	502.492	NVSLZCVXSJMTGW-GOSISDBHSA-N	00001000100000110101000000000010000000000000000000000000	31-01-152330
Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)OC2)on1	SCHEMBL21041689,PC-id_138671308,BindingDB-id_989441	502.55	LJTCNKUXICKSFP-JKSUJKDBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152331
Cc1cnc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)OC2)o1	BindingDB-id_989448,PC-id_138671232,SCHEMBL21041607	502.55	YCRXAHFQGPHELU-JKSUJKDBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152332
O=C(Cc1cnc(o1)C)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671197,SCHEMBL21041569	502.55	COOLKKHYIPLDDZ-JKSUJKDBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152333
S(=O)(=O)(N1CCN(CC1)C(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)c1c(nn(c1)CC)C	PC-id_19527756	502.554	UOAKYKQBJSCNES-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152334
O(C(=O)C(CCCCn1c2NC=NCC(=O)c2nc1)(C)C(=O)OCc1ccccc1)Cc1ccccc1	PC-id_10791579	502.562	AONWTKIYNMCRQN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152335
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1cc3c(cc1)OCO3)nn2)C	PC-id_134828917	502.563	JDSHMHABVKWCCQ-HOIFWPIMSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152336
C[C@@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1cc3c(cc1)OCO3)nn2)C	PC-id_134828941	502.563	JDSHMHABVKWCCQ-HYFFOGBASA-N	00000010100000100101000000001010000000000000000000000000	31-01-152337
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1cc3c(cc1)OCO3)nn2)C	PC-id_134828966	502.563	JDSHMHABVKWCCQ-DRSNIGMVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152338
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc2OCOc2cc1	PC-id_75036389	502.563	PARFVHOUOBIHJG-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152339
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc2OCOc2cc1	CHEBI:112473,PC-id_44486361	502.563	DEGZSTUNWMGQCY-JLHGSKIFSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152340
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc2OCOc2cc1	CHEBI:95564,PC-id_44486968	502.563	DEGZSTUNWMGQCY-PNLZDCPESA-N	00000010100000100101000000001010000000000000000000000000	31-01-152341
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc2OCOc2cc1	CHEBI:96773,PC-id_44485757	502.563	DEGZSTUNWMGQCY-HYFFOGBASA-N	00000010100000100101000000001010000000000000000000000000	31-01-152342
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc2OCOc2cc1	CHEBI:96946,PC-id_44484526	502.563	DEGZSTUNWMGQCY-YVHKJVDXSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152343
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc2OCOc2cc1	PC-id_44484525,CHEBI:96969	502.563	DEGZSTUNWMGQCY-HOIFWPIMSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152344
O(C(=O)C(CCCCn1c2NC=NCC(O)c2nc1)(C)C(=O)NCc1ccccc1)Cc1ccccc1	PC-id_11799658	503.593	LFCMCXXRSGVFHQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152541
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc2OCOc2cc1	PC-id_44485069,CHEBI:95732	502.563	DEGZSTUNWMGQCY-JKSBSHDWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152345
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc2OCOc2cc1	PC-id_44485070,CHEBI:95655	502.563	DEGZSTUNWMGQCY-DRSNIGMVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152346
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc2OCOc2cc1	PC-id_44488699,CHEBI:95721	502.563	DEGZSTUNWMGQCY-GSHUGGBRSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152347
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc2OCOc2cc1	CHEBI:113502,PC-id_44505610	502.563	PARFVHOUOBIHJG-JLHGSKIFSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152348
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc2OCOc2cc1	CHEBI:96775,PC-id_44505607	502.563	PARFVHOUOBIHJG-GSHUGGBRSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152349
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc2OCOc2cc1	CHEBI:96803,PC-id_44505803	502.563	PARFVHOUOBIHJG-HYFFOGBASA-N	00000010100000100101000000001010000000000000000000000000	31-01-152350
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc2OCOc2cc1	PC-id_44505613	502.563	PARFVHOUOBIHJG-DRSNIGMVSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152351
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc2OCOc2cc1	PC-id_44505816	502.563	PARFVHOUOBIHJG-HOIFWPIMSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152352
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc2OCOc2cc1	PC-id_44505830	502.563	PARFVHOUOBIHJG-YVHKJVDXSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152353
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc2OCOc2cc1	PC-id_44506020	502.563	PARFVHOUOBIHJG-PNLZDCPESA-N	00000010100000100101000000001010000000000000000000000000	31-01-152354
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc2OCOc2cc1	PC-id_44506022,CHEBI:113504	502.563	PARFVHOUOBIHJG-JKSBSHDWSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152355
CC(C)(C)c1cc(ccc1OCC(=O)N1CCc2cc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1)C#N	PC-id_118394805,SCHEMBL17113260,BindingDB-id_913866	502.568	QMIHGQNAZMSDDC-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152356
C#CCNC(=O)n1c(C)cc2c1CC=CC(=C2)Oc1ccnc2c1sc(c2)C(=O)N1CCC(C1)OC	PC-id_142802130	502.585	YZEXYIZVUBELOM-UHFFFAOYSA-N	00000010100000100110000001000010000000000000000000000000	31-01-152357
CCCC(n1nnc2c1[C@H](OC)[C@@H](OC)CN(CC2(F)F)C(=O)CCC(=O)OC(C)(C)C)(CC)C	PC-id_139320983,SCHEMBL21167142	502.595	ZQUFJPWAOGPLIJ-MZRHBZNASA-N	00000000100000000101000000000010000000000000000000000000	31-01-152358
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C#CC#Cc1cc(c2-c1cccc(c2)C(C)C)C(=O)OC	PC-id_102343758	502.6	AWXUWIWVJUIBBP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-152359
Cc1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1F)NC(=O)c1cc2c(s1)CCCCC2	PC-id_143646147	502.603	UQNOVQVKKALCIN-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-152360
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/C(=O)O)ccc1)C)C(=O)OC	PC-id_18898091	502.603	GDGCQPDNXKTGCE-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152361
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=CC(=O)O)ccc1)C)C(=O)OC	PC-id_73470062	502.603	GDGCQPDNXKTGCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152362
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C=C/C(=O)O)ccc1)C(=O)OCC	PC-id_18898125	502.603	FDCOODXQJZETRY-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152363
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C=CC(=O)O)ccc1)C(=O)OCC	PC-id_73470096	502.603	FDCOODXQJZETRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152364
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C=C/C(=O)O)ccc1)C(=O)OC	PC-id_18898126	502.603	ZYQFUVPHYMISBL-VAWYXSNFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152365
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C=CC(=O)O)ccc1)C(=O)OC	PC-id_73470097	502.603	ZYQFUVPHYMISBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152366
c1cc(CNC(=O)CCN(CC(C)C)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)cnc1	EMOLS-id_25387094,MCULE-7756937901,PC-id_46049608	502.608	OKEDNJDVAJBGRJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-152367
CC(C)CN(CCC(=O)NCc1ccncc1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049909,MCULE-3870939119,EMOLS-id_25387718	502.608	KQYJOOWETKOQLZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-152368
CCC(C(=O)Nc1ccc(cc1)CCCc1nnc2n1N=C(C(C(=O)N2)C)C)Oc1c(cc(cc1)C)C	PC-id_135843138	502.608	UCNGZDWYQNUVFF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152369
CNC(=O)Nc1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1cc[nH]2)NC(=O)CC(N)(C)C	PC-id_22870087,SCHEMBL8910141	502.608	DSIPJTCANGTBJR-HSZRJFAPSA-N	00000000100000110100100000000010000000000000000000000000	31-01-152370
CNC(=O)NCc1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1cc[nH]2)NC(=O)C(N)(C)C	SCHEMBL8910306,PC-id_22870088	502.608	GAKAPSSRUZDWBQ-HSZRJFAPSA-N	00000000100000110100100000000010000000000000000000000000	31-01-152371
O=C1N(c2c([nH]cc2)CCC1NC(=O)CC(N)(C)C)Cc1ccc(cc1)c1c(NC(=O)NC)cccc1	PC-id_19067068	502.608	DSIPJTCANGTBJR-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-152372
O=C1N(c2c([nH]cc2)CCC1NC(=O)C(N)(C)C)Cc1ccc(cc1)c1c(CNC(=O)NC)cccc1	PC-id_19067059	502.608	GAKAPSSRUZDWBQ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-152373
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCCc1ncccc1)CC)Cc1cc(ccc1)C	PC-id_42855111	502.608	OBGWLTGVMAMYBC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-152374
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1nc(cc1C)C(F)(F)F)C(=O)OCC	PC-id_20174813	502.616	PCTNIGYQZRYMCY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152375
s1c2CCCCCc2cc1C(=O)OCC(=O)Nc1c(OCC)cc(N2CCOCC2)c(OCC)c1	PC-id_16509396	502.623	PVSZVZMCNQYSMH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-152376
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccc(F)cc1)C(=O)OCC	PC-id_19729690	502.625	KPDUUINETHZRKH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152377
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)c1ccc(F)cc1)C(=O)OC	PC-id_19729627	502.625	JLBNTFDPONFVCC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152378
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccccc1)CC)C(=O)OCC	PC-id_53292910	502.626	ABVVKXREVQPAKW-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-152379
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[n+]([nH]oc1=O)c1ccccc1)C(=O)OCC	PC-id_53294180	502.626	QGXQYVRTEHIVCJ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-152380
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccccc1)CC)C(=O)OC	PC-id_53292956	502.626	TWNHZMBOZDVECD-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-152381
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccccc1)C)C(=O)OCC	PC-id_53292588	502.626	OHYFPBQTQSNVAK-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-152382
COCC1(COC)COC2=CSC(C2OC1)Cc1scc2c1OCC(CO2)(COC)COC	PC-id_70834932,SCHEMBL13079547	502.641	GZWCYIOGTGYVJQ-UHFFFAOYSA-N	00000011100000000111000000000110000000000000000000000000	31-01-152383
c1(c2ccccc2n(CC)c1)S(=O)(=O)C(C)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_4163003,MCULE-9506614404,EMOLS-id_5445479	502.646	CZASLBCMVLMWQI-UHFFFAOYSA-N	00000000100000100100000001100010000000000000000000000000	31-01-152384
CCOC(=O)c1c(NC(=O)[C@H](C)S(=O)(=O)c2cn(CC)c3ccccc23)sc2c1CCCCC2	ZINC22_2722212,PC-id_2157587,CoCoCo_4988083	502.646	CZASLBCMVLMWQI-INIZCTEOSA-N	00000000100000100100000001100010000000000000000000000000	31-01-152385
CCOC(=O)c1c(NC(=O)[C@@H](C)S(=O)(=O)c2cn(CC)c3ccccc23)sc2c1CCCCC2	ZINC22_2722213,PC-id_2157588,CoCoCo_4988084	502.646	CZASLBCMVLMWQI-MRXNPFEDSA-N	00000000100000100100000001100010000000000000000000000000	31-01-152386
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CC=C)CC=C)cc1)C(=O)OCC	PC-id_23875557	502.646	WSCGYRQTAYAVKD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152387
COC1CCN(C(=O)c2c1n(Cc1ccccc1)cc2C)CCCN1CCN(CC1)c1ccc(cc1)O	SCHEMBL6775588,PC-id_22738036	502.648	HZPVPEDXVNYQOZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-152388
c1(NC(=O)CCC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)sc2c(CCCCC2)c1C(=O)N	MCULE-7695634212,ZINC22_2748904,PC-id_3656937,EMOLS-id_29899537	502.649	ICNJLDAZLQZNRD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-152389
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1c(occ1)C)C(=O)OCC	PC-id_19726416	502.649	VGAVRLRBOOPZDG-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-152390
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(occ1)C)C(=O)OCC	PC-id_19726567	502.649	IMAQTZBKEUCUOY-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-152391
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1c(occ1)C)C(=O)OC	PC-id_19726336	502.649	HDOJKZBRQPSHKS-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-152392
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(occ1)C)C(=O)OC	PC-id_19726466	502.649	ZLZQBXBYTJVEQQ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-152393
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_19654529	502.649	UVZREMATSLUUDS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-152394
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCCC2)c1C#N)c1ccc(OC)cc1	PC-id_22200391	502.649	QPVNWUIQXIXPJU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152395
Cc1cc(c(cc1)C)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(c(c(c1)OC)O)CC=C	PC-id_137047240	502.668	NAQNOFCCZDWWIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152396
Cc1c(cc(cc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(c(c(c1)OC)O)CC=C)C	PC-id_137023073	502.668	BJYZXZSIUNIQJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152397
Cc1c(c(ccc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(c(c(c1)OC)O)CC=C)C	PC-id_137023108	502.668	GAGMEURXJQKWJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152398
Cc1cc(cc(c1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(c(c(c1)OC)O)CC=C)C	PC-id_137047318	502.668	SFTFSYYPULNKME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152399
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc(OC)c1O	ZINC22_409011532	502.668	GAGMEURXJQKWJC-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152400
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(OC)c1O	ZINC22_409014565	502.668	NAQNOFCCZDWWIS-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152401
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)cc(OC)c1O	ZINC22_409010224	502.668	BJYZXZSIUNIQJZ-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152402
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)cc(OC)c1O	ZINC22_409017560	502.668	SFTFSYYPULNKME-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152403
C=CCOc1c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cccc1OC	ZINC22_408973518	502.668	SXOQJDCARLKBEQ-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-152404
c1(NC(=O)CCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)sc2c(CCCCC2)n1	EMOLS-id_334820675,MCULE-4247619327	502.671	WYSQDIMDWFKJRJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152405
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC=C)C(=O)OC	PC-id_19717857	502.673	WCIUEQDWXOGZQG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152406
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1sccc1)CC=C)C(=O)OCC	PC-id_19725624	502.673	VVUSORAQGZRHED-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152407
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)CC=C)C(=O)OC	PC-id_17303791	502.673	MJEYKVMHSOGFBA-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-152408
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1sccc1)CC=C)C(=O)OC	PC-id_19725562	502.673	ZJFILTGOVBWCHX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152409
CCOC(=O)c1c(NC(=O)[C@@H]2CC(=C(C[C@@H]2C(=O)[O-])C)C)sc2c1CCCCCCCCCCC2	GD-id_ZINC08455482,PC-id_40737927	502.686	CTANUYONGFORHF-YADHBBJMSA-M	00000000100011000100000000000010000000000000000000000000	31-01-152410
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)C1C(CC(=C(C1)C)C)C(=O)[O-])C(=O)OCC	PC-id_74712942	502.686	CTANUYONGFORHF-UHFFFAOYSA-M	00000000100011000100000000000010000000000000000000000000	31-01-152411
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)[C@@H]1[C@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OCC	PC-id_40737929	502.686	CTANUYONGFORHF-VXKWHMMOSA-M	00000000100011000100000000000010000000000000000000000000	31-01-152412
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)[C@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OCC	PC-id_40737931	502.686	CTANUYONGFORHF-FGZHOGPDSA-M	00000000100011000100000000000010000000000000000000000000	31-01-152413
Clc1ccc(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2C)C)cc1	PC-id_19677101	503.08	WIEOOWFBLWVHNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152451
s1c2c(CCCCCCCCCCC2)c(c1NC(=O)[C@@H]1[C@@H](CC(=C(C1)C)C)C(=O)[O-])C(=O)OCC	PC-id_40737933	502.686	CTANUYONGFORHF-FCHUYYIVSA-M	00000000100011000100000000000010000000000000000000000000	31-01-152414
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC)ccc1)CC)C(=O)OCC	PC-id_18909042	502.689	QSUINHWXHIOBOQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152415
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCCC)ccc1)CC)C(=O)OC	PC-id_18909701	502.689	BXRRGWAVGHQOCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152416
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCCC)ccc1)C)C(=O)OCC	PC-id_18909636	502.689	CUHOOPGDYKHDNQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152417
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CC(C)(C)C)ccc1)C)C(=O)OC	PC-id_18911615	502.689	WXAXUDURDDBXGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152418
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CC(C)(C)C)ccc1)C(=O)OCC	PC-id_18911649	502.689	PAIQCGPFRSIJHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152419
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC)ccc1)CC)C(=O)OC	PC-id_18909043	502.689	RTGDPRPPYHVJKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152420
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC)ccc1)C)C(=O)OCC	PC-id_18908978	502.689	NWVVGWDJGGNSKQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152421
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCCC)ccc1)C)C(=O)OC	PC-id_18909637	502.689	JEGGLAZQOAOODG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152422
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CCCC)ccc1)C(=O)OCC	PC-id_18909671	502.689	OGLQANBQERSVTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152423
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CC(C)(C)C)ccc1)C(=O)OC	PC-id_18911650	502.689	YGTDKMLBJVFCKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152424
O=C(Cc1cnc(s1)C)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC1COC1	PC-id_145452203	502.692	IDQAZIMJPRMKOY-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-152425
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)CC=C)C(=O)OCC	PC-id_20125732	502.692	IVNBHOWHZDERIU-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-152426
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)CC=C)C(=O)OC	PC-id_20128588	502.692	JELOVWPZMKWRPM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152427
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C1CCCCC1)CC=C)C(=O)OC	PC-id_20125697	502.692	UFEZRFRECOPAMO-UHFFFAOYSA-N	00000000100010000101100000000010000000000000000000000000	31-01-152428
COc1cc(C)c(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc1C(C)C	ZINC22_409011996	502.711	HAYXEQCKEUHVLD-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-152429
COc1cc(C)c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1C(C)C	ZINC22_409012561	502.711	IVSZCNCRCGTUFO-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-152430
COc1cc(C)c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)cc1C(C)C	ZINC22_409011052	502.711	DLAMWXIKVMOCHY-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-152431
COc1cc(C)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)cc1C(C)C	ZINC22_409019914	502.711	XYXDXYFZQVJXBR-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-152432
C=C/C=C(/C/1=C/C(C)/C=Nc2n(C/N=C1/C/C=CC(=C/C)C1CC(C1)(C)O)nc(c2)/C=C/SC)C=C	PC-id_144053153	502.714	PFEOGFMMXKXTEU-BFFAWPDZSA-N	00001000100000000111000000000010000000000000000000000000	31-01-152433
CC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)C=NC(=O)Cc1cnc(s1)C)C	PC-id_145452111	502.736	COJGDJVTDIWIFB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152434
CCSC1(SCC)CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccc(cc1)O	SCHEMBL6773751,PC-id_22738043	502.736	KIIAEMBSRLJTHX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-152435
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC1CCC1	PC-id_138671902	502.736	AKUGEAFGNSTOGZ-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-152436
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC1CCC1	SCHEMBL21042326	502.736	AKUGEAFGNSTOGZ-XUTJKUGGSA-N	00001000100010000101000000000010000000000000000000000000	31-01-152437
C[c+]1ccc(cc2c1[C+](C=c1ccc(=Cc3cc(c4-c3c(C)ccc(c4)C(C)C)C)s1)C=C2C)C(C)C	PC-id_102159118	502.752	VEBOJCYPVYSWMO-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-152438
C(CCCc1ccc2-c(cc1)cc(c2)C#Cc1cc2-c(ccc(CCCCCCCC)cc2)c1)CCCC	PC-id_11432070	502.772	GTKMDIGOJGCKQE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-152439
COc1ccc(cc1CNC(=O)c1sc2c(c1Cl)C(=CCC=C2F)F)c1ccnc(c1)C(=O)O	PC-id_143520175	502.918	WKMGNASYQGTSFC-UHFFFAOYSA-N	00000000100000111110100000000010000000000000000000000000	31-01-152440
F[C@@H]1C[C@H](N(C1)C(=O)Cc1cc(c2-c1ccc(cc2)O)C(O)C)C(=O)NCc1cccc(c1F)Cl	SCHEMBL19216090	502.938	KQPCAEZMSXMVOQ-FIEDLNDBSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152441
c1(N(=O)=O)nn(cc1Cl)Cc1cccc(c1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_1743210,EMOLS-id_8244883,SPECS-id_AK-968/12265283,MCULE-8188460116,ZINC22_2084463,CoCoCo_6256098	502.971	NGNAUTBKLZKVSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152442
OCCN1C(=O)C(CC)CCC(=O)c2c1nc(n2Cc1cc2OCOc2cc1Cl)NC1CCCC1	PC-id_143302355	502.99	JXUFVQUPWKLAFA-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-152443
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1ccc(cc1)Cl)CCOc1ccccc1	PC-id_134804877	502.992	IWDOOXMWAKCSHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152444
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1cc(ccc1)Cl)CCOc1ccccc1	PC-id_134806620	502.992	AOOZAKFNNUGFKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152445
COc1ccccc1OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1cc(ccc1)Cl	PC-id_134804858	502.992	HISRZNFQLPBIFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152446
COc1cc(ccc1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1cc(ccc1)Cl	PC-id_134806258	502.992	NOIRVBLYHDHANV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152447
Clc1sc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_44005142	503.055	AGOMAVHXOLYVCC-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-152448
c1(NC(=S)Nc2c(C)nn(Cc3ccc(cc3)Cl)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-6319985332,CoCoCo_6800024,TIMTEC542733,PC-id_3271110,EMOLS-id_4173744,ZINC22_20168524	503.08	XDHNXZKIYDAIJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152449
ClC1=Cc2cc(sc2C=CC1)S(=O)NC1CCN(C1)C(=O)C1CCN(CC1)c1ccncc1	PC-id_143028590	503.08	HYCZYUYNEHKZJF-UHFFFAOYSA-N	00000010100010101110100000000010000000000000000000000000	31-01-152450
Clc1ccc(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2)cc1	PC-id_19676778	503.08	YEMWFYGIUANPSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152452
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2C)cc1	PC-id_19676839	503.08	AQYKORJJPLVVMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152453
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cc2C)cc1	PC-id_19676832	503.08	CXNDWRXLHCPLOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152454
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_19676717	503.08	GQCMMNNQZBAXIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152455
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2C)C)cccc1	PC-id_19677917	503.08	JCCZFDDNPBVWHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152456
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2)cccc1	PC-id_20168161	503.08	JODQKXPPVZQZIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152457
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cc2)cccc1	PC-id_20166587	503.08	SCOXOJNAIOLLQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152458
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn(Cc2ccccc2)c1	PC-id_20174150	503.08	DQVLJJKSZDKOPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152459
Clc1cn(nc1)Cc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1	PC-id_20171691	503.08	RCGHPGUEHDCKBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152460
Clc1ccc(Sc2c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cccc2)cc1	PC-id_19677507	503.1	IYVHOHIYRDEAKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152461
CCCCC(Cn1c(I)c2c(c1I)OCCCO2)CC	PC-id_59012265,SCHEMBL12513591	503.158	DBDYSYLSLAYHAN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152462
CC1=CC(=C(C=C1)S(=O)(=O)N)C=C(C2=CC=C(C=C2)Cl)C3=CC(=C4C3=C(C=CC(=C4)C(C)C)C)C	PC-id_153954915	503.169	PCPSIABVGBNNNC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152463
CC(C)OC(C1=C(N(CC(C2=C1C(=NN2)C(F)(F)F)(C)C)C(=O)C3=CC(=C(C=C3)F)F)COC)O	PC-id_147344051	503.184	DEBQVVOCXONECB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152464
C1CN(CCN2C1=CC(=N2)C(N3CCC4=NNN=C4C3)O)C(=O)/C=C/C5=CC(=C(C=C5)OC(F)F)F	PC-id_147194453	503.189	CCBSQJLEUDOOHP-DUXPYHPUSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152465
CC1=C(N=c2c(=CC1)cnn2Cc1ccc(cc1)c1nc(cn1CSC)C(F)(F)F)C(C)(C)OC	PC-id_163894569	503.197	QEMNJKSNAWCEAZ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-152466
CC(C)CC(C(=O)CC1CC2=C(CCCCCNC(=O)C1=O)OC=N2)NS(=O)(=O)C3=CC=CC=C3	PC-id_148541778	503.209	MSHNZEILMPLLLT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152467
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC5CCO5	PC-id_160954164	503.228	SWDTYXGMPPDSBG-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-152468
CC1=C(N2C=C(N=C2C=C(CC1)SC3=CC=C(C=C3)NC(=O)C4CC4)CN(C)C)NC5=NNC(=C5)C	PC-id_149317749	503.247	XZVQUKCTDOOZBC-UHFFFAOYSA-N	00100000100000110111000000000010000000000000000000000000	31-01-152469
[Na+].S(=O)(=O)(c1c2-c(c(c1)CCCS(=O)(=O)Nc1ccc(Cl)cc1)ccc(cc2)C(C)C)[O-]	CHEMBL430569	503.994	CKGAGBBZFWXHSR-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-152578
CC1=CC(O)CC(O)Cc2nc(co2)C(=O)NC(C)C(=O)OC(C(C)C)C(C)/C=C/C(=O)NCC=C
	PD131985,SCHEMBL20717893	503.26	SAQNYTQFLPVTNJ-JYXGQRMOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152470
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](C[C@H](CC2=NC(=CO2)C(=O)N[C@@H](C(=O)OC1C(C)C)C)O)O)/C	PC-id_155208374	503.263	SAQNYTQFLPVTNJ-USLKSBKOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152471
C[C@@H]1/C=C/C(=O)NCC=CC(=C[C@H](C[C@H](CC2=NC(=CO2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)O)C	PC-id_160476179	503.263	SAQNYTQFLPVTNJ-VXOJJORISA-N	00000000100000000111000000000010000000000000000000000000	31-01-152472
B1(N=C(C=C(C(=Cc2ccc(n12)CCC(=O)NCCCOc1cc2c(cc1)nc(s2)C#N)C)C)C)F	PC-id_89750452	503.399	YNUPKSOQSLVFCT-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-152473
N#Cc1sc2c(n1)ccc(c2)OCCCNC(=O)CCc1ccc2n1B(F)/N=C(C)/C=C(C(=C)C)/C	SCHEMBL15186822	503.399	YNUPKSOQSLVFCT-XONJCTLTSA-N	00000000100000100111000001000010000000000000000000000000	31-01-152474
Brc1ccc(c2ccc(OCCCCC(=O)OC3COc4c(OC3)csc4)cc2)cc1	SCHEMBL13701394,PC-id_57838371	503.405	WLCYIVKFGOEMRX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152475
Brc1c2NC(=O)C(=Cc3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)c2cc(F)c1	PC-id_25114043	503.407	FNGGOQHWWNXQOU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-152476
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)cc2Br)CC	SCHEMBL3139393	503.407	FNGGOQHWWNXQOU-LGMDPLHJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-152477
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c(F)cc(F)c1	PC-id_19679774	503.424	DQTKYJMYPSKHQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152478
Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]Cc2ccco2)sc2c1CCCCC2	GD-id_ZINC08430048,PC-id_9536232	503.432	UQKUPXKVLPUNRC-UHFFFAOYSA-O	00000000101000110100000000000010000000000000000000000000	31-01-152479
Brc1ccc(c2ccc(OCCCCCCOC3COc4c(OC3)csc4)cc2)cc1	SCHEMBL13701397,PC-id_57838373	503.448	FPYFGIJCHOKKCH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152480
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)NCCc1ccc(cc1)C(F)(F)F)[N+](=O)[O-]	PC-id_89580039,SCHEMBL14965599	503.474	BEPQRCFGAUCOGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152481
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)NCCc1cc(ccc1)C(F)(F)F)[N+](=O)[O-]	SCHEMBL14966138,PC-id_89580430	503.474	PBZYQZXSXPJNGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152482
FC(F)(F)Oc1ccc(CCC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1	BindingDB-id_913863,PC-id_118394497,SCHEMBL17112931	503.477	WKMTUZREUZQAOM-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152483
FC(F)Oc1ccc(CCC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1F	SCHEMBL17112951,PC-id_118394512,BindingDB-id_913875	503.477	OSDIQCRELWDETA-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152484
CCOC(=O)Oc1c2-c(ccc(cc2)CC(=O)NOCC(=O)N2CCCC2)c(c1N)OC(=O)OCC	SCHEMBL7308923,PC-id_88125988	503.502	WTQKWWQJZMPJCI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-152485
O=C(N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)CCC(F)(F)F	PC-id_138671534,SCHEMBL21041921	503.502	BBFXMNSNHVHZPH-UONOGXRCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152486
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)C(=O)OC	PC-id_19678275	503.515	JXXFDRSSQIRYIP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152487
Cc1nc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)OC2)no1	BindingDB-id_989443,SCHEMBL21042374,PC-id_138671947	503.538	UEGXWOAAXGJOTK-LSDHHAIUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152488
O=C(Cc1nonc1C)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041112,PC-id_138670765	503.538	PHGYNEQRUHTHGR-LSDHHAIUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152489
Cc1cc(F)c2c(c1)[nH]c(n2)C(c1nc2c([nH]1)CC=C(C=C2)C(=O)NCCOc1ccc(c(c1)C)F)C	PC-id_141992296	503.543	RIASLQNOWYAFIW-UHFFFAOYSA-N	00000000100000110111000001000010000000000000000000000000	31-01-152490
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)NOCCCN1CCCC1	PC-id_88125349,SCHEMBL7303929	503.545	MMSISMQRMXZWOS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-152491
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)NOCCN1CCCCC1	PC-id_88126242,SCHEMBL7311163	503.545	FHJIICCUNLPUQX-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-152492
O=C1N(CCCn2nc(cc12)C(=O)NCCC(=O)NCc1cc2OCOc2cc1)Cc1ccc(cc1)C	PC-id_42855091	503.55	LAFJGMAHIJKZJV-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-152493
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCc1cc2OCOc2cc1)C)Cc1ccc(cc1)C	PC-id_42855075	503.55	YLPFCANOAQPRON-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-152494
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1cc2OCOc2cc1)C)Cc1ccc(cc1)C	PC-id_42855083	503.55	BIRURRZIBNUJKS-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-152495
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCc1cc2OCOc2cc1)C)Cc1cc(ccc1)C	PC-id_42855101	503.55	UNQUJLBAACCEHE-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-152496
O=C1N(CCCn2nc(cc12)C(=O)NC(C(=O)NCc1cc2OCOc2cc1)C)Cc1c(cccc1)C	PC-id_42855124	503.55	UYOIKAHGHXKPAB-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-152497
O=C1N(CCCn2nc(cc12)C(=O)N(CC(=O)NCc1cc2OCOc2cc1)C)Cc1c(cccc1)C	PC-id_42855129	503.55	SEVVWCCIOARTTR-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-152498
c1cc(CNC(=O)C2CCCCN2C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)ccc1F	PC-id_46049486,EMOLS-id_25387234,MCULE-4015570188	503.568	RUIIPFIOICUCEV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152499
Fc1ccc(CNC(=O)C2CCN(CC2)C(=O)c2cc3C(=O)N(Cc4ccccc4)CCCn3n2)cc1	MCULE-4723910857,PC-id_46049493,EMOLS-id_25387216	503.568	KUTXIQYOCFDBRZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152500
Fc1ccc(CNC(=O)CCN(C2CC2)C(=O)c2nn3c(c2)C(=O)N(CCC3)Cc2ccccc2)cc1	PC-id_42854963	503.568	LTUVLGUSSHYGIK-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-152501
O=C([C@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCc1ccc(cc1)F	PC-id_93332216	503.568	RUIIPFIOICUCEV-XMMPIXPASA-N	00000000100010110101000000000010000000000000000000000000	31-01-152502
O=C([C@@H]1CCCCN1C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)NCc1ccc(cc1)F	PC-id_93332218	503.568	RUIIPFIOICUCEV-DEOSSOPVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152503
O=C(CN1C(=O)CCC(c2c1ccs2)CC(=O)O)NCc1ccc(cc1)Nc1nc2c([nH]1)cccc2	PC-id_69285918,SCHEMBL5029981	503.573	QPDULBNOHJAALR-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-152504
Brc1c2c(n(COCC[Si](C)(C)C)c1)C(=O)N(CCC2=O)COCC[Si](C)(C)C	PC-id_11103139	503.578	RRETUFSNCKOJQE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-152505
O1C(C(OCCCOc2c(OCCC1)c(n(c2C(=O)OC)Cc1ccccc1)C(=O)OC)(C)C)(C)C	PC-id_10864055	503.585	YNMFYQUJNNKCME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152507
CC1/C=CC(=O)NC/C=CC(=CC(CC(Cc2nc(co2)C(=O)NC(C(=O)OC1C(C)C)C)O)O)C	PC-id_137285983	503.588	SAQNYTQFLPVTNJ-UJBASRTBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-152508
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COCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)Cl)C(=O)OC)C	PC-id_139605591	504.038	XXAAJPMRLUBLIT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152581
CC(C(F)(F)F)NS(=O)(=O)C1=C2C=CCCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155278693	504.065	KQLVTLFSGFXQPD-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-152582
C[C@@H](C(F)(F)F)NS(=O)(=O)C1=C2C=CCCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155278715	504.065	KQLVTLFSGFXQPD-NSHDSACASA-N	00000000100000110110000000000010000000000000000000000000	31-01-152583
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)nc2)cc1	PC-id_20178615	504.068	PZFXTHRRJUINLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152584
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)nc2)ccc1	PC-id_20179155	504.068	LWZGAOHYYPJKRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152585
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)nc2)cccc1	PC-id_20178702	504.068	CEJMENSQBCMVTA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152586
Cc1ccc(cc1)S(=O)(=O)N/C=C(/c1ccc(cc1)Cl)c1cc(c2-c1c(ccc(c2)C(C)C)C)C	PC-id_134950660	504.083	DKGKIECUPXHMHE-MIXAMLLLSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152587
CC([C@H]1C=CC2=C(N(C=C2S(=N)(=O)N1)C)C(=O)NC3=CC(=C(C(=C3)F)F)F)OCC4=CC=CC=C4	PC-id_154991299	504.144	HUHIKSGVUFAWOR-VUMNOEMDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152588
CC(C)CC(CS(=O)(=O)C1=CC=CC=C1)C(=O)CC2CCC3=NSC(=C3)CCCNC(=O)C2=O	PC-id_161944372	504.175	YKYFFOLUSBFMMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152589
C1CCC(CC1)NC2=NN3CCCN(CC3=C2)C(=O)OCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F	PC-id_161856836	504.196	XZULGJHIAVQHDY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152590
Clc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2c(Cl)cccc2F)c1	PC-id_19523740	504.308	UWCHLPZPIDVBJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152591
Cc1ccccc1NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(F)(F)I	PC-id_135363371,SCHEMBL20542189	504.333	LJHWIWGPTSSLEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152592
ClC1=Cc2cc([nH]c2C=CC1)C(c1ccccc1)NC(=O)c1ccc(c(c1)Cl)C(=O)N1CC=CC1	PC-id_142911827	504.407	VMFGUPULECFWHO-UHFFFAOYSA-N	00000011100000110110000000000010000000000000000000000000	31-01-152593
O=C(N1CCCn2c(C1)cc(n2)C(=O)NCC1CC1)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_117616544,SCHEMBL16129733	504.425	UCJITWUBDUUHFJ-UHFFFAOYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-152594
Brc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	SCHEMBL9626768,PC-id_15020228	504.437	YTLJHGLNVLNNIF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152595
Brc1ccc(C2=CSC(=C(c3n4CCCCCc4nn3)C#N)N2Cc2ccccc2)cc1	MCULE-1854717521,PC-id_4461411	504.445	SJUIOMVXTVAYIP-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-152596
Brc1ccc(C2=CS/C(=C(c3n4CCCCCc4nn3)/C#N)/N2Cc2ccccc2)cc1	PC-id_6116159,CoCoCo_3732761	504.445	SJUIOMVXTVAYIP-DAFNUICNSA-N	00000011100000110101100000000010000000000000000000000000	31-01-152597
Brc1ccc(C2=CS/C(=C(/c3n4CCCCCc4nn3)C#N)/N2Cc2ccccc2)cc1	PC-id_6384031,CoCoCo_3732762	504.445	SJUIOMVXTVAYIP-NJNXFGOHSA-N	00000011100000110101100000000010000000000000000000000000	31-01-152598
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cc(Oc2ccc(OC)cc2)cc([N+](=O)[O-])c1	PC-id_19523706	504.458	JIDSLRCSUUGFQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152599
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cc(Oc2c(OC)cccc2)cc([N+](=O)[O-])c1	PC-id_19523811	504.458	BMKUYEXZYITDHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152600
O=C(N1CCn2c(CC1)cc(c2)C(=O)N1CCc2c(C1)nn[nH]2)OCc1ccc(cc1)OC(F)(F)F	TT-id_D0FM6Y	504.462	VYRDKBLSMSIBLX-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152601
CN/C=C(C=C
/CNC(=O)/C1=Cc1[nH]c2c(c1C)C(=O)N(CCC2)CCN(CC)CC)/Br	PC-id_145511819	504.463	VJJFUVVDTHYICZ-DNGGAEOLSA-N	00000010100000000100000000000010000000000000000000000000	31-01-152602
FC(F)(F)Oc1ccc(CCC(=O)N2CCc3nc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1	SCHEMBL17112997,PC-id_118394558,BindingDB-id_913869	504.465	AHXVDAZHUDPKLC-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152603
O=C(N1CCCn2c(C1)cc(n2)CN1CCCCC1)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700442	504.469	MPBMPMLTCVGYSD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152604
Brc1ccc(NC(=O)c2c(NC(=O)CN3CCCCCC3)sc3CCCCCc23)cc1	ZINC22_2072938,CoCoCo_6728340,PC-id_1734478,SPECS-id_AE-848/42024451,MCULE-3080656708,TIMTEC567681,EMOLS-id_2784840	504.483	YEZLIFYHWQUGFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152605
S(c1cc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)cc([N+](=O)[O-])c1)c1ccc(cc1)C	PC-id_19523672	504.525	ZCDITYZHAOMIPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152606
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1c(cc(cc1)F)F)CCOc1ccccc1	PC-id_134805963	504.528	IVGBFLNLOSBUJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152607
N/N=C(/c1ccc(c(c1)OC)n1cnc(c1)C)C=NC1CCc2c(N(C1=O)CC(F)(F)F)ccs2	PC-id_145535007	504.528	HZFWSIXFMQGJIZ-LLAWQWJASA-N	00000000100000110101100000000010000000000000000000000000	31-01-152608
c1ccc(cc1)C#Cc1c(nc2-c1ccccc2)N=P(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_101457274	504.56	AOGCRMYLYDRQPJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152609
CCCc1cc(ccc1OC(c1ccccc1)C(=O)O)Cn1c(CCCC)nc2c1C(=O)NCC(=O)N2	SCHEMBL9126547,PC-id_19385649	504.577	WPHHKBRPFUWGJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152610
CC(CCCCn1cnc2c1NC=NCC2O)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	CHEMBL284858,PC-id_11799686,BindingDB_PC-id_11799686	504.577	BWGHNXYMMZLLLX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152611
CC(C)(C)OC(=O)N1CCCn2nc(cc2C1)C(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)O	EMOLS-id_313803313,ZINC22_585091733	504.577	GNLVGZKALASNIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152612
CCOC(=O)c1nn2c(c1)CC(=O)N(C(C2)(C)C(=O)NCc1ccccc1)Cc1ccccc1OCC	PC-id_143130260	504.577	UBRIZUOSMCQRQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152613
COc1cc(ccc1OC(=O)C(c1ccccc1)c1ccccc1)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3732488,PC-id_6008256	504.579	VFPOUPGISLTAHZ-NCELDCMTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152614
COc1cc(ccc1OC(=O)C(c1ccccc1)c1ccccc1)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3732489,PC-id_75459339	504.579	VFPOUPGISLTAHZ-PLRJNAJWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152615
COc1cc(ccc1OC(=O)C(c1ccccc1)c1ccccc1)C=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_26167524,MCULE-7239336932,PC-id_4093709	504.579	VFPOUPGISLTAHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152616
c1cc(CNC(=O)CCN(CCOC)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)cnc1	EMOLS-id_25387100,PC-id_46049621,MCULE-4906207799	504.581	UCBHROWBPTVQMO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-152617
COCCN(CCC(=O)NCc1ccncc1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46159967,MCULE-2811264679,EMOLS-id_35951986	504.581	UCZIXDDMLAEWSC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-152618
O=c1oc2-c(c1C#Cc1ccc(s1)C#Cc1c(=O)oc3-c1cc(ccc3)C(C)C)cc(ccc2)C(C)C	PC-id_102264196	504.596	POTSTFPJGKTSPX-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-152619
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)C)C(=O)OC	PC-id_19633506	504.597	CFXYYJBSARFZSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152620
CC(CC(C(=O)NC1Cc2ncoc2CCCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110359,PC-id_138731199	504.599	TYOYSVRWEFKYMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152621
CC(CC(C(=O)NC1CCCc2cnoc2CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110374,PC-id_138731214	504.599	PZLYUVNTDMURGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152622
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[n+]([nH]oc1=O)c1ccc(OC)cc1)C(=O)OC	PC-id_53294304	504.599	KETXUHMIAMRIBR-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-152623
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccc(OC)cc1)C)C(=O)OC	PC-id_53292486	504.599	QPGNMYCNVNIJMA-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-152624
s1c2c(CCCCC2)c(c1NC(=O)CSc1[n+]([nH]oc1=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_53291844	504.599	APKNMQDTNJKLKD-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-152625
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[n+]([nH]oc1=O)c1ccc(OC)cc1)C(=O)OC	PC-id_53291846	504.599	WUJRYKOIWNRIEG-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-152626
S(=O)(=O)(Nc1onc(c1C)C)c1c(c2ccc(Cn3c4c(nc3C)CCCCC4=O)cc2)cccc1	PC-id_20747620	504.601	UFMIFDNETTWVPT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152627
C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)S(=O)(=O)c1ccccc1C#N	PC-id_46903248,CHEMBL1867405	504.602	ZEFSNRQFKJBMJS-WAOWUJCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152628
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)S(=O)(=O)c1cccc(c1)C#N)nn2)C	PC-id_134828943	504.602	AZZXEKHHBMKJBB-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-152629
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)S(=O)(=O)c1cccc(c1)C#N)nn2)C	PC-id_134829018	504.602	AZZXEKHHBMKJBB-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152630
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2C#N)OCc2cnnn2CCCC1=O	PC-id_46903250,CHEMBL1867103	504.602	ZEFSNRQFKJBMJS-LQWHRVPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152631
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)c1ccc(cc1)C#N	PC-id_75036145	504.602	IWUIUQUZQCTJMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152632
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)c1cc(ccc1)C#N	PC-id_75036251	504.602	FBWMLQUKWDTGIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152633
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)c1c(cccc1)C#N	PC-id_75036330	504.602	ZEFSNRQFKJBMJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152634
S(=O)(=O)(N(CC1OCc2nnn(CCCC(=O)N(CC1C)C(CO)C)c2)C)c1cc(ccc1)C#N	PC-id_75036135	504.602	ZSOBJUWVLKLZGD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152635
S(=O)(=O)(N(CC1OCc2nnn(CCCC(=O)N(CC1C)C(CO)C)c2)C)c1ccc(cc1)C#N	PC-id_75036146	504.602	JHYNTZDYFWSDRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152636
S(=O)(=O)(N(CC1OCc2nnn(CCCC(=O)N(CC1C)C(CO)C)c2)C)c1c(cccc1)C#N	PC-id_75036250	504.602	RVTJAXCVIBNILB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152637
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1ccc(cc1)C#N	CHEMBL1869133,PC-id_44505380	504.602	IWUIUQUZQCTJMH-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152638
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1cc(ccc1)C#N	CHEMBL1875404,PC-id_44505941	504.602	FBWMLQUKWDTGIU-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152639
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1ccc(cc1)C#N	PC-id_44496394	504.602	IWUIUQUZQCTJMH-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152640
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1ccc(cc1)C#N	PC-id_44496824	504.602	IWUIUQUZQCTJMH-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-152641
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1c(cccc1)C#N	PC-id_44497246	504.602	ZEFSNRQFKJBMJS-UEXGIBASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152642
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1cc(ccc1)C#N	PC-id_44497247	504.602	FBWMLQUKWDTGIU-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152643
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1ccc(cc1)C#N	PC-id_44498542	504.602	IWUIUQUZQCTJMH-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152644
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1ccc(cc1)C#N	PC-id_44504959	504.602	IWUIUQUZQCTJMH-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-152645
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1cc(ccc1)C#N	PC-id_44505154	504.602	FBWMLQUKWDTGIU-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-152646
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1ccc(cc1)C#N	PC-id_44505170	504.602	IWUIUQUZQCTJMH-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152647
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1c(cccc1)C#N	PC-id_44505351	504.602	ZEFSNRQFKJBMJS-OPYAIIAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152648
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1cc(ccc1)C#N	PC-id_44505352	504.602	FBWMLQUKWDTGIU-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152649
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1c(cccc1)C#N	PC-id_44505353	504.602	ZEFSNRQFKJBMJS-LVCYWYKZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152650
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1c(cccc1)C#N	PC-id_44505355	504.602	ZEFSNRQFKJBMJS-WFXMLNOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152651
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1c(cccc1)C#N	PC-id_44505357	504.602	ZEFSNRQFKJBMJS-BBTUJRGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152652
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1ccc(cc1)C#N	PC-id_44505376	504.602	IWUIUQUZQCTJMH-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152653
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1ccc(cc1)C#N	PC-id_44505382	504.602	IWUIUQUZQCTJMH-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152654
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c1(NC(=O)C(CC)Oc2ccc(c(C)c2)C)sc2c(CCCCCC2)c1C(=O)NCc1ccccc1	PC-id_4632646,TIMTEC124102,MCULE-6040138797,EMOLS-id_4174664	504.683	DKBLNOXTFPBMAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152728
CCCCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC	ZINC22_408970806	504.683	KNPGCOXOGWWGQR-NJZRLIGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152729
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCCCC2	GD-id_ZINC20562711,PC-id_29050265,CoCoCo_6798026,ZINC22_20562711	504.683	DKBLNOXTFPBMAF-VWLOTQADSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152730
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCCCC2	PC-id_29050263,ZINC22_20562707,CoCoCo_6798027	504.683	DKBLNOXTFPBMAF-RUZDIDTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-152731
CCCOc1c(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cccc1OC	ZINC22_409015982	504.683	QBSPTYVRPVKWDL-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-152732
CCCOc1c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cccc1OC	ZINC22_409019646	504.683	WKKPVMYTOJSBLS-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-152733
CCCOc1c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)cccc1OC	ZINC22_409010155	504.683	AIROAUMVQMOOPS-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-152734
CCCOc1c(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)cccc1OC	ZINC22_409017576	504.683	SHJWSJLOCKMFIM-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-152735
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCC(C)C	ZINC22_408971734	504.683	KMMRMPMOHQLAHZ-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-152736
s1c2c(CCCCCCCCCC2)c(c1NC(=O)Cc1ccccc1)C(=O)Nc1c(OC)cccc1	PC-id_23934315	504.683	OJLRNOXPOUWUPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152737
O=C1N(CCCc2c1c(C)c(s2)CC1CCN(CC1)Cc1ccccn1)Cc1c(C)cc([nH]c1=O)C	PC-id_145222672	504.687	HWSSJJOQRTXTGF-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-152738
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)C)C(=O)OC	PC-id_19718005	504.688	SATMZPXYWSNDAS-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152739
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C)C(=O)OC	PC-id_19718140	504.688	LTKGCHYWSZOJCY-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152740
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1sccc1)C(=O)OCC	PC-id_19725774	504.688	GRTOUSBOUXBXTD-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152741
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1sccc1)C(=O)OCC	PC-id_19725917	504.688	RIKDGXGUCVSWHX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152742
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)C)C(=O)OC	PC-id_19721490	504.688	HOMUZXOXFDSNPO-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152743
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC)C(=O)OC	PC-id_19718584	504.688	OTOVZTFUGFZTLN-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152744
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)C)C(=O)OC	PC-id_19719192	504.688	DLDUSKQOROXRPL-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152745
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)C)C(=O)OC	PC-id_19719964	504.688	FXXQWQJAMLSEEG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152746
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC)C(=O)OC	PC-id_19720880	504.688	YXAJUTQEWVZRJT-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152747
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC)C(=O)OCC	PC-id_19717808	504.688	OIZDFNHFLBJWGL-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152748
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)C)C(=O)OCC	PC-id_19718535	504.688	CPIMHNXZILZQEC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152749
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)C)C(=O)OCC	PC-id_19720831	504.688	LLOJOSPHANMWKB-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152750
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)CC)C(=O)OCC	PC-id_20127589	504.688	BUHVQMHKEWICES-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-152751
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1sccc1)C(=O)OC	PC-id_19725674	504.688	OCOSWHAZVIHATB-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152752
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1sccc1)C(=O)OC	PC-id_19725819	504.688	DPANDZXCFNJEBV-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152753
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC)C(=O)OC	PC-id_19717712	504.688	URXNXTWMWYQLFS-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152754
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)C)C(=O)OC	PC-id_19718443	504.688	RYAYFJGQYCVHFP-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152755
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)C)C(=O)OC	PC-id_19720737	504.688	LHIFOOOSPHEIIB-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-152756
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)CC)C(=O)OC	PC-id_20127534	504.688	VNKANNUQYYRDCI-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-152757
COCCOc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)C=NC(=O)Cc1cnc(s1)C	PC-id_145452187	504.708	VMZCVQNGWJNUPL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152758
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC1CCO1	PC-id_138671133	504.708	VGYVCZZZOAWWRA-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-152759
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC1COC1	PC-id_138670720	504.708	XBTVGGPBINZHDX-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-152760
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC1CCO1	SCHEMBL21041502	504.708	VGYVCZZZOAWWRA-ORXZLVCASA-N	00001000100010000101000000000010000000000000000000000000	31-01-152761
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC1COC1	SCHEMBL21041064	504.708	XBTVGGPBINZHDX-KESTWPANSA-N	00001000100010000101000000000010000000000000000000000000	31-01-152762
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)CC)C(=O)OCC	PC-id_20128551	504.708	VACRHDJBUWQMIL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152763
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)CC)C(=O)OC	PC-id_20125883	504.708	AVIYWZKZPHVVSO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152764
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)C)C(=O)OCC	PC-id_20125845	504.708	FBJGHVHJJLWARY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152765
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)CC)C(=O)OC	PC-id_20128479	504.708	DHBFEUOKMXSYSL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152766
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)C)C(=O)OC	PC-id_20125771	504.708	NYFMGFZYCFUEBU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152767
CC/C(=C(NC1=CCc2c(C=C1)n(cc2)C)/N=C(C=C/C)/N1C=C(C(N1C)C)CCN1CCC(C1)O)/C	SCHEMBL19903794,PC-id_134287825	504.71	QKZZZPSPRZNDKX-QTGZAOIVSA-N	00000011100000000111000000000010000000000000000000000000	31-01-152768
CCSC1(SCC)CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccc(cc1)F	PC-id_22737999,SCHEMBL6775539	504.727	PAKFRYPVLUSRBF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-152769
C[C@@H](c1sc2c(c1C)CN(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)Cc1ccccn1	PC-id_145960476	504.73	XGTFTWVURMVNGN-JOCHJYFZSA-N	00000000100010101100000000000010000000000000000000000000	31-01-152770
CCCN(S(=O)(=O)c1ccc(cc1)NC(=O)c1sc2c(c1)CCCCCCCCCC2)CCC	GD-id_ZINC20340565	504.748	BFQYNVMFLQEXTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152771
Ic1ccc(c(c1)Cl)Nc1sc2c(c1C(=O)O)CC(CN(C2=O)C)(C)C	SCHEMBL4507639,PC-id_69071895	504.77	OXJQUUPAXHTRSF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152772
Ic1cc(Cl)c(Nc2sc3c(C(N)C(CNC3=O)(C)C)c2C(=O)N)cc1	PC-id_44199042	504.773	QNPPINKOSWTWOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152773
[Si](OCCC=Cc1n2c(CN(CCC2)C)c(n1)C(=O)CC(C(C)(C)C)C(=O)NC)(C(C)(C)C)(C)C	PC-id_76657345	504.781	GDZDYFAPVHDRRO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152774
[Si](OCC/C=C/c1n2c(CN(CCC2)C)c(n1)C(=O)C[C@@H](C(C)(C)C)C(=O)NC)(C(C)(C)C)(C)C	PC-id_58135770	504.781	GDZDYFAPVHDRRO-RDPWEWGOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152775
CCCCCCCCc1ccc2-c(cc1)cc(c2)/C=C/c1cc2-c(c1)ccc(cc2)CCCCCCCC	PC-id_102049233	504.788	WBFHCDSXCXFRNV-ISLYRVAYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-152776
C#CC1Oc2c(OCC1(Cc1ccccc1)Cc1ccccc1)c(sc2[Si](C)(C)C)[Si](C)(C)C	PC-id_86657014,SCHEMBL2207994	504.831	ZWXPWQRWTNXMJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152777
c12SC/C(=N/NCCCCCCCCCCCCCCCCC)/CSc1sc(=S)s2	EMOLS-id_6767655,MCULE-3332945073,TIMTEC191157,ZINC22_33353909,CoCoCo_1949432,PC-id_4527676	504.902	HHDRDSDPTNUMPH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152778
Clc1c2c(sc1C(=O)Oc1c(OC)cc(/C=C(c3n4CCCCCc4nn3)/C#N)cc1)cccc2	CoCoCo_3733891,PC-id_75408732	504.988	DOWIZIRUZVINMK-LGMDPLHJSA-N	00000000100000110101000001000010000000000000000000000000	31-01-152779
Clc1c2c(sc1C(=O)Oc1c(OC)cc(C=C(c3n4CCCCCc4nn3)C#N)cc1)cccc2	PC-id_4093760,MCULE-8987031298,EMOLS-id_301002232	504.988	DOWIZIRUZVINMK-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-152780
Clc1c2c(sc1C(=O)Oc1c(OC)cc(/C=C(/c3n4CCCCCc4nn3)C#N)cc1)cccc2	PC-id_6008268,CoCoCo_3733890	504.988	DOWIZIRUZVINMK-GHRIWEEISA-N	00000000100000110101000001000010000000000000000000000000	31-01-152781
OC(=O)CCc1ccc(cc1C)Oc1cccc(c1)CNC(=O)c1n(C)c2c(c1C)C=C(CC=C2)Cl	PC-id_143058775	505.005	BBULQQUKCKGWDT-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-152782
CN1CCCc2c(C1)sc(n2)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(s1)Cl)C(=O)O	PC-id_140161620	505.01	ZMGQNKWRJGJHEC-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-152783
CN1CCCc2c(C1)sc(n2)C(=O)Nc1c(cccc1C(=O)O)CNC(=O)c1ccc(s1)Cl	PC-id_140161990	505.01	YUHLLNVAXREXPC-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-152784
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)cccc1	PC-id_19728130	505.053	YVPHKGPVJAZRTK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152785
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)cccc1	PC-id_19728164	505.053	WBLXJSPKZOYEKF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152786
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cccc1	PC-id_19728085	505.053	DAIMUMDJCDTWBH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152787
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)ccc1	PC-id_19728448	505.053	CVXIGRUOSXCQOE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152788
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)ccc1	PC-id_19728482	505.053	WYFPSURHYBAAAL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152789
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)ccc1	PC-id_19728387	505.053	ZPJCXQXWYXZDSZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152790
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)cc1	PC-id_17301132	505.053	BYTHQHPRULSJHK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152791
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)cc1	PC-id_19728695	505.053	ZIBWXVFCPWZPKT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152792
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cc1	PC-id_19728655	505.053	QCSVASQBOIKWIU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152793
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc1	PC-id_20124033	505.053	NNEATTPHURKROS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152794
CC(C(F)(F)F)NS(=O)(=O)C1=C2C=CCCCN2C(=C1Cl)C(=O)NC3=CC(=NC(=C3)F)C#N	PC-id_155278766	505.06	LHLKKWFYAGFJHF-UHFFFAOYSA-N	00000000100000101110000000000010000000000000000000000000	31-01-152795
C[C@H](C(F)(F)F)NS(=O)(=O)C1=C2CCCCCN2C(=C1Cl)C(=O)CC3=CC(=C(C=C3)F)C#N	PC-id_160569399	505.085	CBKZURPSQPIYJB-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152796
C1CN(CCN2C1=CC(=N2)C(=O)N3CCC4=NNN=C4C3)C(=O)COC5=CC=C(C=C5)OC(F)(F)F	PC-id_153515781	505.169	XHSPLFHCUYTKRM-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152797
CC(C)CC(C(=O)CC1CC2=NSC(=C2)CCCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_147977148	505.171	ISMWBERBERDFEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152798
CC(C)CC(C(=O)CC1CCC2=C(CCCNC(=O)C1=O)C=NS2)NS(=O)(=O)C3=CC=CC=C3	PC-id_161651170	505.171	WZTJZXNTNIUGRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152799
CC(C)CC(C(=O)CC1CCC2=C(CCCNC(=O)C1=O)SC=N2)NS(=O)(=O)C3=CC=CC=C3	PC-id_147173799	505.171	BYGBHVANWKWTMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152800
CC(C)CC(C(=O)CC1CCC2=NC=C(S2)CCCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_162193879	505.171	ZQRKEHRGMZLCDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152801
CC(C)C(C(=O)CC1CC2=C(CCCCCNC(=O)C1=O)SN=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_149341544	505.171	YEGWWHNDZGBQCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152802
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OC5CC(C5)F	PC-id_152976654	505.223	UTNUCSDPBCPZTN-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-152803
CCC1=NN(C2=C1C(=O)NCCCOCCC2)C[C@@H](C)COC(=O)C3=CC(=CC=C3)S(=O)(=O)CC	PC-id_148708072	505.225	NWRIOTJOUTWACN-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152804
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC(=CC=C3)S(=O)(=O)CC	PC-id_155171321	505.225	OJFDRAGDEKKYCV-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152805
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)CC	PC-id_155171382	505.225	GXMUIHOFLPEKQA-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152806
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3CCN(CC3)C(=O)N(C)C	PC-id_155171408	505.326	BLPMOSYEHRSPMP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-152807
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)CC(c1ccccc1)C(=O)NC	PC-id_76657165	505.405	LXQATMQCGOTXAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152808
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)C[C@@H](c1ccccc1)C(=O)NC	PC-id_58135575	505.405	LXQATMQCGOTXAI-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152809
CCCCCCCCCCCCn1c(I)c2c(c1C(=O)OCC)OCCCO2	PC-id_102291094	505.43	MARNKTUYEUNZEK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152810
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)NCc1cc(ccc1)OC(F)(F)F)[N+](=O)[O-]	SCHEMBL14965591,PC-id_89580033	505.446	PZBVFAUGVRKEQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152811
C1Cn2cc(nc2OCCN1Cc1ccc(cc1)C(=O)NCc1ccc(cc1)OC(F)(F)F)[N+](=O)[O-]	SCHEMBL14965737,PC-id_89580135	505.446	OHKQGEOVUUQCHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152812
C1Cn2cc(nc2OCCN1CC(=O)NCc1ccc(cc1)c1ccc(cc1)OC(F)(F)F)[N+](=O)[O-]	PC-id_89580058,SCHEMBL14965622	505.446	VDUFSICZPGLAIR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152813
CN(c1cc(ccc1)OC(F)(F)F)C(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	PC-id_89579848,SCHEMBL14965369	505.446	KINIUECWKGFULM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152814
CN(c1ccc(cc1)OC(F)(F)F)C(=O)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-]	SCHEMBL14965890,PC-id_89580249	505.446	SXCXPCKFYGRJDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152815
FC(F)(F)Oc1ccc(COC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1	BindingDB-id_913854,PC-id_91933927,SCHEMBL17124911	505.45	RHVPVDFZBJWINL-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152816
FC(F)(F)Oc1ccc(COC(=O)N2CCc3nc(cn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1	PC-id_118404760,SCHEMBL17125330,BindingDB-id_913862	505.45	UNBDWCWWVFWLLQ-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152817
FC(F)Oc1ccc(COC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1F	SCHEMBL17112992,PC-id_118394551,BindingDB-id_913880	505.45	PRWLPVCFKAAQDK-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152818
O=C(N1CCn2c(CC1)c(c(n2)C(=O)N1CCc2c(C1)n[nH]n2)C)Oc1ccc(cc1)OC(F)(F)F	PC-id_118394573,SCHEMBL17113014	505.45	AYLOGXSADGAEDT-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152819
O=C(N1CCn2c(CC1)nc(c2C)C(=O)N1CCc2c(C1)n[nH]n2)Oc1ccc(cc1)OC(F)(F)F	PC-id_118394565,SCHEMBL17113005	505.45	VPRDCUHADLGBDL-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152820
C1CN(Cc2cc(nn2C1)NC1CCNCC1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460471,SCHEMBL16099682	505.457	NZAOHYNTYZMWJV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152821
C(C(F)(F)F)(C(F)(F)F)(NC(=O)c1ccccc1OCC)Nc1sc2c(CCCCC2)c1C#N	MCULE-2931656052,STOCK1S-82087,EMOLS-id_4410527,ZINC22_2286995,PC-id_1909388	505.476	CUVKSSKQUXIZEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152822
Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCCCC2	GD-id_ZINC02072938,PC-id_1734477	505.491	YEZLIFYHWQUGFH-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-152823
NNC1=C(N)CN(CC1)C(=O)c1cc2n(n1)CCN(CC2)C(=O)/C=C/c1ccc(c(c1)F)OC(F)F	PC-id_144930341	505.493	SEVXKXTVGORMLU-DUXPYHPUSA-N	00000000100011110101000000000010000000000000000000000000	31-01-152824
OCCN(C(=O)CONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)CCO	PC-id_23296721,SCHEMBL6877230	505.518	RBIAZLOUQBAWLJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-152825
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cn(nc1)Cc1cc(OCC)c(OCC)cc1	PC-id_19523762	505.533	UHTNSWXUARLCMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152826
FC1=C(F)CC(C=C1)(C)NC(=O)c1n(C)cc2c1OCC(C=C(S2(=O)=O)C)C(c1cccnc1)O	PC-id_139471374,SCHEMBL21337372	505.534	GYINZKDJGMAFSN-UHFFFAOYSA-N	00000000100011101111000000000010000000000000000000000000	31-01-152827
CCc1sc2c(c1)C(=N)N(CCS2)C(=N)C1CCN(CC1)CCc1ccc(cc1)Br	PC-id_141859817	505.537	JTUPOKRDIQKYRY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152828
N#C/C(=c/1s/c(=Cc2ccc(cc2)OC(F)F)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609869,PC-id_2320113	505.539	DKZWZAFHIIZIJT-DDJQOXGASA-N	00000000100000110101100000000010000000000000000000000000	31-01-152829
N#CC(=c1sc(=Cc2ccc(cc2)OC(F)F)c(=O)n1c1ccccc1)c1nnc2n1CCCCC2	EMOLS-id_26144956,PC-id_4991485,MCULE-3315204224	505.539	DKZWZAFHIIZIJT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152830
N#C/C(=c
/s/c(=Cc2ccc(cc2)OC(F)F)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	GD-id_ZINC12558501,PC-id_2320111,CoCoCo_3609868	505.539	DKZWZAFHIIZIJT-BBMOIHPLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152831
N#C/C(=c
/s/c(=C/c2ccc(OC(F)F)cc2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609871,ZINC22_105752651	505.539	DKZWZAFHIIZIJT-UCMJAKSHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152832
N#C/C(=c/1s/c(=C/c2ccc(OC(F)F)cc2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	ZINC22_33603017,CoCoCo_3609870	505.539	DKZWZAFHIIZIJT-LQPBJRFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152833
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1ccc(OC(F)F)cc1)c1ccccc1	PC-id_2320114	505.539	DKZWZAFHIIZIJT-KCUSKQSCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152834
S(=O)(=O)(NCC(=O)N/N=C/c1ccc(cc1)C(F)(F)F)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194723	505.552	MSPKSRSSCDHMDC-VFLNYLIXSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152835
S(=O)(=O)(NCC(=O)NN=Cc1ccc(cc1)C(F)(F)F)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_72678672	505.552	MSPKSRSSCDHMDC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152836
O=Cc1oc2c(c1)C=C(C=CC2)/C(=N/NC(=O)CCOCCOCCOCCOCCNC(=O)C)/C	PC-id_143432396	505.561	GQIYMRJRUGYTET-ZXVVBBHZSA-N	00000000100000000110000000000010000000000000000000000000	31-01-152837
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(OC)cc1)C(=O)OC	PC-id_4344713	505.564	FCRFLZCSOVKKMY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152838
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)ccc1)C(=O)OC	PC-id_4137595	505.564	GFRLNBMBGVBQIC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152839
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(OC)cccc1)C(=O)OC	PC-id_3687864	505.564	UIJDGURLCCJFQY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152840
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)COc1ccccc1)C(=O)OC	PC-id_5045987	505.564	HLRODGVLSABTEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152841
CC(C)(C)OC(=O)N1CCCn2nnc(C(=O)N(Cc3ccccc3)Cc3ccc(cc3)C(=O)O)c2C1	EMOLS-id_313804081,ZINC22_585091775	505.566	MKBQKZZIYAANLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152842
COC(=O)c1c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)sc2c1CCCCC2	ZINC22_3402180,CoCoCo_2920209,MCULE-5134379070,EMOLS-id_43722902,PC-id_2520759	505.582	VPOVKNQYYXHLAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152843
c1cccc(CN(C)C(=O)CCN(CC)C(=O)c2cc3n(n2)CCCN(Cc2ccc(cc2)F)C3=O)c1	MCULE-8118731850,PC-id_46049544,EMOLS-id_25386844	505.584	UGENXNOITOQXFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152844
c1cc(CNC(=O)CCN(CC)C(=O)c2cc3n(n2)CCCN(Cc2ccc(cc2)C)C3=O)ccc1F	EMOLS-id_25388038,PC-id_46049696,MCULE-7521803984	505.584	IVAAQDDOQWXKLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152845
c1cc(CNC(=O)C(NC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC(C)C)ccc1F	MCULE-7189539155,PC-id_46049606,EMOLS-id_25387602	505.584	SZXSCTHJDAULSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152846
CC(C[C@@H](C(=O)NCc1ccc(cc1)F)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332376	505.584	SZXSCTHJDAULSG-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152847
CC(C[C@H](C(=O)NCc1ccc(cc1)F)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332377	505.584	SZXSCTHJDAULSG-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152848
Fc1ccc(CNC(=O)CCN(C(=O)c2nn3CCCN(Cc4c(cccc4)C)C(=O)c3c2)CC)cc1	PC-id_42855027	505.584	RREFJZYARUQYOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152849
Fc1ccc(NC(=O)CCN(CC(C)C)C(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)cc1	PC-id_42855065	505.584	ONNZVCLQQVKHFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152850
O=C(C(C(=O)OCc1ccccc1)(CCCCn1cnc2c1NC=[NH+]C[C@@H]2O)C)OCc1ccccc1	GD-id_ZINC13807829	505.585	BWGHNXYMMZLLLX-QHCPKHFHSA-O	00000000100000110111000000000010000000000000000000000000	31-01-152851
O=C(C(C(=O)OCc1ccccc1)(CCCCn1cnc2c1NC=[NH+]C[C@H]2O)C)OCc1ccccc1	GD-id_ZINC13807831	505.585	BWGHNXYMMZLLLX-HSZRJFAPSA-O	00000000100000110111000000000010000000000000000000000000	31-01-152852
Fc1ccc(cc1)C(=C1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)O)c1ccc(cc1)F	PC-id_22738099,SCHEMBL6778744	505.599	WIVIJRSDROSGAI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-152853
OCC1=c2onc(c2=CCC=C1OCc1ccc(cc1)C#N)CCC1CCN(CC1)C(=O)OC(C)(C)C	PC-id_143570530	505.605	USYBBRHBYIQBAG-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-152854
S(=O)(=O)(N(C1CC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OC	PC-id_41364303	505.607	RNZRCKGSEUQYDH-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-152855
C/C=CCN(/N=C(/C(C)(C)C)C=CNC(=O)Nc1ccc(cc1)OC1=c2c(=NCC=C1)[nH]c(=O)n2C)C	PC-id_143215956	505.612	YBAJFLILPFDURB-OUWWAQNQSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152856
CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1[N+](=O)[O-]	ZINC22_408970718	505.628	CMWVVFKOCJANQM-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152857
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCC(=O)N	ZINC22_408972064	505.628	PIQGFWJBOMNHOJ-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152858
CCc1cc2c(s1)N(Cc1ccc(cc1)c1ccccc1C#N)C(=O)CN(C2=O)CCc1ccccc1	SCHEMBL2773290,PC-id_59351676	505.63	JSWWLFQFESGJOE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152859
CC(CC(C(=O)NC1CCCc2cn[nH]c2CCCNC(=O)C1O)NS(=O)(=O)c1ccccc1)C	PC-id_138731211,SCHEMBL21110371	505.63	ZOWPCWAKZITLSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152860
CCOC(=CC=C)C=CCC(C)C1CCCCCn2c1nc(n2)Nc1cc(c(cc1)n1c(ncn1)C)F	PC-id_91609526	505.63	KYJRMIHNBZOZBQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152861
CNC(=O)Nc1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1ccs2)NC(=O)C(N)(C)C	PC-id_22870072,SCHEMBL8909831	505.632	ZRHZBJPONGJWQL-OAQYLSRUSA-N	00000000100000110100100000000010000000000000000000000000	31-01-152862
s1c2CCC(NC(=O)C(N)(C)C)C(=O)N(c2cc1)Cc1ccc(cc1)c1c(NC(=O)NC)cccc1	PC-id_19067045	505.632	ZRHZBJPONGJWQL-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-152863
O=C(CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)Nc1nc2CCCCCc2s1	MCULE-2118887462,EMOLS-id_335102129	505.633	YFUMTCUQAXEVBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152864
CCn1c2c(CCCOCCCN(C2=O)Cc2ccc(cc2)OC)c(n1)CCCOCc1ccccc1	SCHEMBL20279893,PC-id_135133700	505.648	CEFLCCSGUXQMBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152865
CCOc1cc(C(=O)NC(=S)Nc2sc3c(c2C(=O)N)CCCCC3)cc(OCC)c1OCC	PC-id_3997773,ZINC22_10000145	505.65	WIOQUNYESVSHOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152866
CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N(C[C@H]2CCCO2)C)sc2c1CCCCC2	GD-id_ZINC12064338	505.65	NVEUPBAKUHJPPQ-QGZVFWFLSA-N	00000010100000110100000000000010000000000000000000000000	31-01-152867
O=C1N(CCc2c(/C/1=C/c1ccccc1)n(COCc1ccccc1)cn2)Cc1ccc(cc1)C(C)(C)C	PC-id_145978723	505.65	MGMGILIVBYFCKB-BRPDVVIDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152868
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccc(cc1)C	PC-id_22197161	505.65	PADDXJYDRAEZTG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152869
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccccc1	PC-id_22197057	505.65	ILHCVTGPDBIEAS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152870
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC)c1ccccc1	PC-id_22197023	505.65	GICZSXKFHPPHJM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152871
S(=O)(=O)(N1CC(OC(C1)C)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC	PC-id_43947630	505.65	NRZMUSOXBSPDTF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152872
S(=O)(=O)(N(CC1OCCC1)C)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)cc1	PC-id_43947637	505.65	NVEUPBAKUHJPPQ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-152873
C[C@@H]1CN[C@@H](COC(=O)CCCn2c(cnn2)CO[C@@H]1CN(C)Cc1ccc(cc1)c1ccccc1)C	PC-id_134828972	505.652	UGIHVBSEHFXPGV-MVOZIGHISA-N	00000000100000110101100000000010000000000000000000000000	31-01-152874
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)c1ccccc1)C	PC-id_75036175	505.652	PZMMCWSZGDQDET-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152875
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)c1ccccc1)C	PC-id_75036181	505.652	YAZCQYURBLEIHO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152876
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)c1ccccc1)C	CHEBI:113426,PC-id_44505013	505.652	PZMMCWSZGDQDET-AWVRMFGXSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152877
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)c1ccccc1)C	CHEBI:95494,PC-id_44498144	505.652	PZMMCWSZGDQDET-SXDGJLEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152878
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)c1ccccc1)C	CHEBI:96860,PC-id_44498145	505.652	PZMMCWSZGDQDET-JWZKTCGFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152879
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)c1ccccc1)C	CHEBI:96909,PC-id_44505213	505.652	PZMMCWSZGDQDET-UXWDXCIHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152880
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)c1ccccc1)C	PC-id_44505019,CHEBI:96985	505.652	PZMMCWSZGDQDET-LXWOLXCRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152881
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)c1ccccc1)C	PC-id_44505020,CHEBI:95645	505.652	PZMMCWSZGDQDET-MVOZIGHISA-N	00000000100000110101100000000010000000000000000000000000	31-01-152882
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)c1ccccc1)C	PC-id_44505025,CHEBI:113334	505.652	PZMMCWSZGDQDET-MRJKTFCFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152883
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)c1ccccc1)C	PC-id_44506052,CHEBI:96735	505.652	PZMMCWSZGDQDET-IWHLBADBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152884
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)c1ccccc1)C	CHEBI:113363,PC-id_44505218	505.652	YAZCQYURBLEIHO-MVOZIGHISA-N	00000000100000110101100000000010000000000000000000000000	31-01-152885
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)c1ccccc1)C	CHEBI:95868,PC-id_44505473	505.652	YAZCQYURBLEIHO-SXDGJLEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152886
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)c1ccccc1)C	CHEBI:96342,PC-id_44506046	505.652	YAZCQYURBLEIHO-MRJKTFCFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152887
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)c1ccccc1)C	CHEBI:97029,PC-id_44505028	505.652	YAZCQYURBLEIHO-AWVRMFGXSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152888
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)c1ccccc1)C	PC-id_44505027,CHEBI:95881	505.652	YAZCQYURBLEIHO-IWHLBADBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152889
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)c1ccccc1)C	PC-id_44505217,CHEBI:113491	505.652	YAZCQYURBLEIHO-LXWOLXCRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152890
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)c1ccccc1)C	PC-id_44505642,CHEBI:96742	505.652	YAZCQYURBLEIHO-JWZKTCGFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152891
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)c1ccccc1)C	PC-id_44505878	505.652	YAZCQYURBLEIHO-UXWDXCIHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152892
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(c2ccccc2)ccc1C#N)C(=O)OCC	PC-id_24165395	505.652	MLUQSLGGHVSRTL-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-152893
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(c2ccc(cc2)C)ccc1C#N)C(=O)OC	PC-id_23945378	505.652	KJEMCNZRCAOYKL-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-152894
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(c2ccccc2)ccc1C#N)C(=O)OC	PC-id_23889459	505.652	XLMFMSBVBXOULC-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-152895
Cc1noc(C)c1S(=O)(=O)N1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	CoCoCo_4364778,ZINC22_12700432,CoCoCo_4364777	505.653	BAOKMCZEUSOERW-MRXNPFEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152896
Cc1noc(C)c1S(=O)(=O)N1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC22_12700436,CoCoCo_4364775,CoCoCo_4364776,PC-id_25445558	505.653	BAOKMCZEUSOERW-INIZCTEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152897
N#Cc1c(NC(=O)C(N2CCCN(CC2)S(=O)(=O)c2c(C)onc2C)C)sc2c1CCCCC2	PC-id_17555461,MCULE-1476571062,EMOLS-id_44006990	505.653	BAOKMCZEUSOERW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152898
CO[C@H]1/C=CC=Cc2csc(n2)[C@@H](C)N=C(/C=C(CC/C(=C[C@H]1OC)/C)/[C@](C(=O)CS)(O)C)[O-]	PC-id_101689656	505.67	NNWIAWNDHZAHRV-NIVSWTBMSA-M	00000000100000000111000000000010000000000000000000000000	31-01-152899
OCC(CNC(=O)c1nnc(s1)CCCCC1=NCCC=c2c(=C1)cc([nH]2)Cc1ccccc1)(C)C	PC-id_144993119	505.675	NOBIIMDXBYBLBR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-152900
CCn1c2c(CCCOCCCN(C2)Cc2ccc(cc2)OC)c(n1)C[C@@H](C)COCc1ccccc1	SCHEMBL20280228,PC-id_135133988	505.691	WIZVVCPZUWYUCW-RUZDIDTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-152901
CC(Cc1ccc(c(c1)OC1=CCCn2c(C=C1)nnc2C)C1CC=CC=C1)CCCCc1ccccc1	SCHEMBL19481256	505.693	BYWJBJMYDYBIFV-UHFFFAOYSA-N	00000000100011110111100000000010000000000000000000000000	31-01-152902
S(=O)(=O)(N(CC(C)C)CC(C)C)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1	PC-id_23824351	505.693	RSVZRUDWSSRCOU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152903
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC=C)C#N	PC-id_17266731	505.698	SNCNPEUSVHIMJU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152904
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC=C)C#N	PC-id_20125121	505.698	FSQMMTXUMOTHOH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152905
c1(NC(=S)NNC(=O)c2cc3c(CCCCC3)s2)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-7475904272,PC-id_3273011,CoCoCo_6799931,TIMTEC566070,EMOLS-id_4175170	505.716	YDGKKXIKAPFJDK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-152906
c1(NC(=S)NNC(=O)c2csc3CC(C)CCc23)sc2c(CCCCCC2)c1C(=O)OCC	MCULE-3493519609,TIMTEC162009,PC-id_3275851,EMOLS-id_4175172	505.716	GAKILKVFPMKLJN-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-152907
CCOC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CC[C@H](C3)C)sc2c1CCCCCC2	CoCoCo_6799953,PC-id_28698312	505.716	GAKILKVFPMKLJN-CQSZACIVSA-N	00000000100010000100000000010010000000000000000000000000	31-01-152908
CCOC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CC[C@@H](C3)C)sc2c1CCCCCC2	PC-id_28698311,CoCoCo_6799952	505.716	GAKILKVFPMKLJN-AWEZNQCLSA-N	00000000100010000100000000010010000000000000000000000000	31-01-152909
Cc1sc2c(c1)C(=O)N(CCS2)CCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1	PC-id_139603490	505.738	NJPNVPFLTDBDLP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152910
CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=CCCCC(C)(C)[Si](C)(C)O)C	PC-id_89528624	505.769	LOSKQSFTJFXEJH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152911
CC(C)(C)C(C(=O)NC)NC(=O)c1c2CN(CCCn2c(n1)C=CCCO[Si](C)(C)C(C)(C)C)C	SCHEMBL1174212,PC-id_87208716	505.769	IAGBEXGWLJLXAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152912
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)/C=C/CCCC([Si](O)(C)C)(C)C	SCHEMBL14898962	505.769	LOSKQSFTJFXEJH-YDYPUGOESA-N	00000000100000000101000000000010000000000000000000000000	31-01-152913
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)/C=C/CCO[Si](C(C)(C)C)(C)C	PC-id_57635634,SCHEMBL1174209	505.769	IAGBEXGWLJLXAM-YDYPUGOESA-N	00000000100000000101000000000010000000000000000000000000	31-01-152914
CNC(=O)[C@H](C(C)(C)C)NC(=O)c1nc(n2c1CN(C)CCC2)C=CCCO[Si](C(C)(C)C)(C)C	SCHEMBL1174214,PC-id_66931767	505.769	IAGBEXGWLJLXAM-JOCHJYFZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152915
C1CN(Cc2cc(nn2C1)S(=O)(=O)Cl)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460364,SCHEMBL16099542	505.819	KYZRNDGQFPRXRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152916
COC(=O)c1c(oc(c1C(=O)OC)c1ccc(cc1)Cl)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102491505	505.989	WDCNDQSVSVUWTB-UHFFFAOYSA-N	00000010101000110110100000000010000000000000000000000000	31-01-152917
Clc1c(CNC(=O)N2C(CC(OC)C2)C(=O)OC)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_72656849	506.014	CKCBZNYRTCKYBV-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-152918
Clc1c(CNC(=O)N2[C@@H](C[C@@H](OC)C2)C(=O)OC)ccc(C(=O)N2CCCCc3sccc23)c1	SCHEMBL6202959,PC-id_60126614	506.014	CKCBZNYRTCKYBV-XLIONFOSSA-N	00000010100000110100000000000010000000000000000000000000	31-01-152919
Clc1c(CNC(=O)N2[C@@H](CC(OC)C2)C(=O)OC)ccc(C(=O)N2CCCCc3sccc23)c1	SCHEMBL6203674,PC-id_69702533	506.014	CKCBZNYRTCKYBV-OZBJMMHXSA-N	00000010100000110100000000000010000000000000000000000000	31-01-152920
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)ccc1F	PC-id_21164583	506.016	FDJXEBGCVUIGDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152921
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)ccc(F)c1	PC-id_19633841	506.016	PRMMAKHRKBQYGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152922
CSCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)Cl)C(=O)O)C	PC-id_139605614	506.077	HVNONIJJIJFCAB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152923
CC(C(F)(F)F)NS(=O)(=O)C1=C2CCCCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_155278806	506.08	KMPQKCNSKRCZOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152924
C[C@H](C(F)(F)F)NS(=O)(=O)C1=C2CCCCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)C#N	PC-id_148224960	506.08	KMPQKCNSKRCZOX-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152925
Clc1ccc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_20175881	506.123	AUIMEQQRXZBYIF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152926
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1	PC-id_20175544	506.123	HUPVSMAZRYIQML-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152927
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c(cc1)C	PC-id_19655050	506.123	OOLCRGJFPNEFNH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-152928
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cccc1	PC-id_20175172	506.123	FUMICEULYLXQMJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152929
CC1=C(SC2=C1SC[C@@H](C(=O)N2C)NC(=O)C3=NN=C(C3)CC4=CC=CC=C4)C#CC5(CCC5)O	PC-id_164113211	506.145	IVBKCDBLSVJXPR-FQEVSTJZSA-N	00001011100000110101000000000010000000000000000000000000	31-01-152930
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NC	PC-id_155171364	506.22	OROOMCKHDMTZIW-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152931
CN1C=C2C(=N1)C=CC=C2C(=O)CC3CCC(CC3)CCN4CCC5=C(CC4)SC(=N5)OCC6CC6	PC-id_160223111	506.272	PJLBSKIYJSYEER-UHFFFAOYSA-N	00100000100010100101000001000010000000000000000000000000	31-01-152932
[n+]1(CC(=O)c2ccccc2OC(F)F)c2CCCCCn2c(CNc2ccc(Br)cc2)n1	MCULE-4633540412,CoCoCo_5791900,GD-id_ZINC26441699,PC-id_33698830,ZINC22_26441699	506.363	FGNRHNMBRCGXIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152933
Brc1ccc2-c(cc1)c(c(c2C(=O)OC(C)(C)C)N(C(=O)C)C(=O)C)C(=O)OC(C)(C)C	PC-id_141580578	506.386	VPWYVRIPNZMXNG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-152934
Brc1n2CCCN(Cc2c(n1)C(=O)NC(c1ccccc1)C(=O)NC)C(=O)OC(C)(C)C	PC-id_76571548	506.393	ZLZYLLPAPDCCMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152935
Brc1n2CCCN(Cc2c(n1)C(=O)N[C@@H](c1ccccc1)C(=O)NC)C(=O)OC(C)(C)C	SCHEMBL12883473,PC-id_57635224	506.393	ZLZYLLPAPDCCMW-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152936
O=C(N1CCCn2c(C1)cc(n2)C(=O)NC1COC1)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_117616543,SCHEMBL16129732	506.398	LNUSGMPCPNTBSJ-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-152937
CCCCC(CC)CCCC1(COC2=C(SC(=C2OC1)C(C)C)CC)CCCC(CC)CCCC	PC-id_153397173	506.416	OVYFZXWIEHIAEQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152938
FC(F)(F)Oc1ccc(COC(=O)N2CCc3nc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1	BindingDB-id_913860,SCHEMBL17125331,PC-id_118404761	506.438	VGGYOIVWVLACGC-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152939
O=C(N1CCc2n(C(C1)C)nc(n2)C(=O)N1CCc2c(C1)n[nH]n2)Oc1ccc(cc1)OC(F)(F)F	PC-id_118394511,SCHEMBL17112948	506.438	OHLJKLUGJJFADU-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-152940
Brc1oc(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc1	PC-id_19724726	506.439	ICHANILGRYQABT-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-152941
Brc1oc(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc1	PC-id_19724577	506.439	XOTJERHZGCBAFK-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-152942
O=C(N1CCCn2c(C1)cc(n2)C(NC1COC1)C)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700409	506.441	MNIGVIQECCHTEN-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-152943
O=C(c1cc2n(n1)CC[N+](CC2)(Cc1ccc(cc1)OC(F)(F)F)C(=O)O)N1CCc2c(C1)n[nH]n2	PC-id_118394554	506.458	VPTHECDQBFOXBN-UHFFFAOYSA-O	00000000100010110101000000010010000000000000000000000000	31-01-152944
Clc1c(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)ccc(Cl)c1	PC-id_19728927	506.471	AXIGUFBGYWQTFQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152945
Clc1c(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)ccc(Cl)c1	PC-id_19728832	506.471	ICKSUMHCQKZBFR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152946
Clc1cc(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)ccc1Cl	PC-id_19729196	506.471	ANWLTTLICYVESS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152947
Clc1cc(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)ccc1Cl	PC-id_19729102	506.471	RJCLWWMYNSJYLR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-152948
BrCC#Cc1c2n(CCCCC2CCO[Si](C(C)(C)C)(C)C)c(c1)C(=O)C(F)(F)F	PC-id_76023095	506.472	GJDUHINNWHUNEA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-152949
BrCC#Cc1c2n(CCCC[C@@H]2CCO[Si](C(C)(C)C)(C)C)c(c1)C(=O)C(F)(F)F	4026392_OpenMolecule,PC-id_53360449	506.472	GJDUHINNWHUNEA-MRXNPFEDSA-N	00000000100000000100000000000010000000000000000000000000	31-01-152950
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)N(C1COC(O1)(C)C)OC	SCHEMBL7302424,PC-id_88125208	506.502	CGJOFPZVJMSYLP-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-152951
CN1NC(C)(C)CNc2c(C1=O)c(n(c2)Cc1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccccc1	PC-id_144007096	506.541	HBMSYFBUTCDGEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152952
O(C(=O)c1c(Nc2c(Nc3nc4-c(c3C(=O)OCC)ccccc4)cccc2)nc2-c1ccccc2)CC	PC-id_14642926	506.552	YIKHCEALSVFRHV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-152953
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O(C(=O)c1c2-c(c(c1)C(=C(C#N)C#N)C(=C(C#N)C#N)c1cc3-c(c1)ccccc3)cccc(C(C)C)c2)C	PC-id_73291936	506.553	VIZOZUDAUHKEGV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-152955
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c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C/C=C(C)/C	MCULE-5442560970,ZINC22_1772713736,EMOLS-id_317483424,PC-id_137339458	506.595	QTZSHEWXCWMWSV-JSJNYSNDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152960
COc1c(ccc(c1)OCc1ccccn1)/C=C/c1nn(c(c1)/C=C/C1=CCC=c2cc[nH]c2=C1)CCO	SCHEMBL20172711,PC-id_134527884	506.595	XSTSVVNMLHPPFV-FYDMFQIUSA-N	00000000100000111111000000000010000000000000000000000000	31-01-152961
O(C[C@@H](NC(=O)C(N)(C)C)c1n2CCN(CCc2nn1)C(=O)OCc1ccccc1)Cc1ccccc1	SCHEMBL11915020,PC-id_58784122	506.597	KLTHSMVWEXTRHF-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152962
O(CC(NC(=O)C(N)(C)C)c1n2CCN(CCc2nn1)C(=O)OCc1ccccc1)Cc1ccccc1	PC-id_72422874	506.597	KLTHSMVWEXTRHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152963
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCC(=O)O	ZINC22_408971353	506.613	IQJPDXWOKMKAHJ-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152964
CCOC(=O)C(CS)NC(=O)c1c2c(c(s1)C(=O)NC(CS)C(=O)OCC)OCCCO2	PC-id_89252527,SCHEMBL14124290	506.613	LCUXJOWCOAQWFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152965
CCOC(=O)Oc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408972143	506.613	SQPSIYSSVNHQAL-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152966
COC(=O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408972595	506.613	PKBXCYHWBSGEAH-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152967
s1c(c2OCCCOc2c1C(=O)NC(CSC)C(=O)OC)C(=O)NC(CSC)C(=O)OC	PC-id_58451839	506.613	CZTSZOIRFGAQNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-152968
CCn1c2c(CCCOCCCNC2=O)c(n1)CCCOC(=O)c1ccc(cc1)S(=O)(=O)N(C)C	SCHEMBL20280150,PC-id_135133926	506.615	DMBQUZKYYGJJJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152969
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2occc2)nn1)C(=O)OCC	PC-id_23766754	506.618	QFGQDALTCWONNB-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-152970
C1CN(CCN1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)Nc1ccc(cc1)C(=O)N1CCOCC1	PC-id_89125915	506.62	NQVLSCRELPATRM-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-152971
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s1c2c(CCCCC2)c(c1NC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)C(=O)NC(=O)OCC	PC-id_16838074	506.635	PFWGQBQXDXARLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152973
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(cc1)C)C(=O)NC(=O)OCC	PC-id_41273624	506.635	NGIRNZDOLSOZHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152974
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)Cc1ccccc1)C(=O)NC(=O)OCC	PC-id_41612483	506.635	ZEDGWEULERSFLK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152975
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(cc(OC)c(OC)c1)C(=O)OC)C(=O)OCC	PC-id_20412691	506.635	SVSWQKYOEMFXOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152976
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccc(OC)cc1	PC-id_16923972	506.635	QZZNLZKZNBOCGN-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-152977
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccc(OC)cc1	PC-id_16862902	506.635	GHEMPSGNYNQOEK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-152978
S(=O)(=O)(N1CC(OC(C1)C)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_24131930	506.635	XFHCXERHVYIQOM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-152979
S(=O)(=O)(N(CC1OCCC1)C)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_16833653	506.635	NPPZNBSMVWUPLU-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-152980
CC(CC(C(=O)NC1Cc2nsc(c2)CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110389,PC-id_138731229	506.638	DEWSBTIVOULQPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152981
CC(CC(C(=O)NC1Cc2scc(n2)CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109799,PC-id_138730644	506.638	NTVDEWVVROCLEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152982
CC(CC(C(=O)NC1CCc2ncc(s2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21110417,PC-id_138731257	506.638	CBYDMKJCGBXIIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152983
CC(CC(C(=O)NC1CCc2nsc(c2)CCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21111045,PC-id_138731820	506.638	HGYACZGIVMTFJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152984
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COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc(OC)c1OC	ZINC22_409013468	506.656	KMFMGNMXZAWMFQ-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152994
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(OC)c1OC	ZINC22_409017659	506.656	SQOMRQDKJBAQIO-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152995
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COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)cc(OC)c1OC	ZINC22_409020113	506.656	ZKJRCEWEQKKYJU-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-152997
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s1c2CCCCCCCCCCc2nc1NC(=O)COc1cc(NC(=O)Nc2ccccc2)ccc1	PC-id_30377295	506.66	XYATWWRDOYMKAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-152999
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CCC(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C(=O)c1cc(c2-c1cc(ccc2C)C(C)C)C(=O)CC	PC-id_102042042	506.674	ISEIJEZQEHHVBT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-153002
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Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cc2)c(F)ccc1	PC-id_20167705	507.044	DVMLMQBURUDWBL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153029
Clc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)c(C)cn2Cc1ccccc1)O	PC-id_22737928,SCHEMBL6770176	507.067	TZJFZQHTKLMWGH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153030
Clc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)OCc1ccccc1	PC-id_22738013,SCHEMBL6775525	507.067	LDZLGBGIGMTGDW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153031
Clc1ccc(N2CCN(CCCN3CCC(OC)c4n(ccc4C3=O)Cc3ccccc3)CC2)cc1	SCHEMBL6769651,PC-id_22738078	507.067	QGNGHVNXYJHNGX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153032
Clc1ccc(S(=O)(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C#N)cc1	PC-id_22197082	507.068	BVSNUVNXKOOLPS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153033
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)C(=O)N2CCC2)cc1	SCHEMBL3308991,PC-id_68590626	507.068	KYRQISCUUBVMIV-UHFFFAOYSA-N	00001010100100000100000000000010000000000000000000000000	31-01-153034
Clc1sc(C(=O)N[C@H]2C[C@@H](N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)C(=O)N2CCC2)cc1	PC-id_68590628,SCHEMBL3308996	507.068	KYRQISCUUBVMIV-JKSUJKDBSA-N	00001010100100000100000000000010000000000000000000000000	31-01-153035
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)C(=O)N2CCC2)cc1	SCHEMBL13394962,PC-id_59285187	507.068	KYRQISCUUBVMIV-CVEARBPZSA-N	00001010100100000100000000000010000000000000000000000000	31-01-153036
CC(C(F)(F)F)NS(=O)(=O)C1=C2CCCCCN2C(=C1Cl)C(=O)NC3=CC(=NC(=C3)F)C#N	PC-id_155278775	507.076	WZCFPJCOVUCFRL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-153037
c1(NC(=O)c2ccc(cc2)COc2ccccc2Cl)sc2c(CCCCCCCCCC2)c1C#N	ZINC22_2112456,TIMTEC395526,EMOLS-id_5121570,SPECS-id_AK-968/41924000,CoCoCo_6577161,MCULE-4362984687,PC-id_1767352	507.087	QAXNEGULWNIBGD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153038
c1(NC(=O)c2cccc(COc3ccc(cc3)Cl)c2)sc2c(CCCCCCCCCC2)c1C#N	EMOLS-id_5120621,TIMTEC595450,SPECS-id_AK-968/41170612,MCULE-5206045940,CoCoCo_6926173,PC-id_1766459,ZINC22_2111613	507.087	ZJXTVJKWZNBKJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153039
c1(NC(=O)c2cccc(COc3ccccc3Cl)c2)sc2c(CCCCCCCCCC2)c1C#N	MCULE-2740145175,TIMTEC577073,PC-id_4622605,SPECS-id_AK-968/41171400,ZINC22_8454905,CoCoCo_6926264,EMOLS-id_5120857	507.087	YPKXARPYGIYHCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153040
c1(NC(=S)NC(=O)Cc2ccc(cc2)Cl)sc2c(CCCCCCCCCC2)c1C(=O)OC	PC-id_1932947,EMOLS-id_4457026,ZINC22_2316355,MCULE-1387240897,STOCK2S-75241	507.108	UWHGXXZDFGNNMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153041
Clc1ccc(cc1)CCN1CCC(CC1)C(=[N+]1CCN(c2c(C1=N)ccs2)Cc1ccccc1)N	PC-id_141859870	507.113	JQWKSVYDNHOPMO-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-153042
CC(N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl)C(=O)Nc1nc2CCCCCc2s1	EMOLS-id_334603122,MCULE-2226655399	507.218	WDYQTGCYIKEEMH-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-153043
C1c2c(N=C(NC1=O)N)n(cn2)CC(CCO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O	PC-id_137104388	507.224	UKKGLCIUGQMJOQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153044
CC1=C(C=NO1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OC5CC(C5)(F)F	PC-id_160703659	507.237	GQHBSPWPZJLPNC-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-153045
CC1=NC=C(C=C1)OCC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_160223719	507.237	PJNAKRLALCLGBA-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153046
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(C)(C)F	PC-id_162051439	507.239	YYPGBGSAEJSKPG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153047
CC1=NC=C(C=N1)CC(=O)NC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F	PC-id_152824531	507.248	SUTCZLHSJOQUEU-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-153048
CN1N=CC(=N1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OC5CC(C5)(F)F	PC-id_160703658	507.248	UWQZKGJOVYOWNM-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-153049
CC1=C2C(=C(N(CC(C2=NN1)(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4)C)C(=O)NC(C)C	PC-id_160371794	507.321	MDTXXNFTAZKFJF-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153050
CC(=O)NNC(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90456162,SCHEMBL16094143	507.386	MWPYGXKGBVGGLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153051
CCOC(=O)C(c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	PC-id_90460341,SCHEMBL16099512	507.426	DYSIGGYZGDDNMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153052
c1(c2CCCCCc2sc1NC(=O)c1c(C)onc1c1c(cccc1Cl)Cl)C(=O)OC(C)C	PC-id_1744771,MCULE-7458690542,CoCoCo_6787539,ZINC22_2086428,SPECS-id_AK-968/13031268,EMOLS-id_4175842	507.429	SWMHXUVNMDRHFO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153053
c1(NC(=O)c2c(C)onc2c2c(cccc2Cl)Cl)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_1740897,TIMTEC453266,EMOLS-id_4175846,CoCoCo_5815428,SPECS-id_AK-968/11986125,ZINC22_2081579,MCULE-9640925947	507.429	SNICRLQURDGKBY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153054
Clc1c(c2noc(c2C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)C)c(Cl)ccc1	PC-id_3624128	507.429	LRYGWQXTIBWGSE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153055
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)NC(C(=O)NCc2cc3OCOc3cc2)C)cc1	PC-id_42855038	507.514	CPXMJVFJFZGITD-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-153056
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CC(=O)NCc2cc3OCOc3cc2)C)cc1	PC-id_42855039	507.514	YKDJMEJNDDVRPH-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-153057
COC(=O)c1c2OCCOCCOCCOCCOCCOc2c(n1Cc1ccccc1)C(=O)OC	PC-id_101697507	507.53	CQUWZCCDYZGSHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153058
Cc1cc(n(n1)C)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)C)C	PC-id_139471139,SCHEMBL21337132	507.553	UHILOZUADYXFBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153059
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(F)cc1)C(=O)OCC	PC-id_5089885	507.555	RXTUYPSGTXXRPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153060
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(F)cccc1)C(=O)OCC	PC-id_4196711	507.555	VQXNZOQYDCCORG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153061
Fc1ccc(NC(=O)CCN(C(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)CCOC)cc1	PC-id_46049933	507.557	LZDNGQMSHBJEQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153062
C=N/C=CSCC1N=CC(=c2c(=C1)[nH]cc2C(=O)C(=O)N1CCN(C[C@H]1C)C(=O)c1ccccc1)F	PC-id_142160274	507.58	DBJOBTPBDSUERR-KYCSBRLHSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153063
Cc1cc(c(cc1)C)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(cc(c1O)OC)[N+](=O)[O-]	PC-id_137051539	507.601	WESYFCFGBLOILN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153064
COc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)c1O	ZINC22_408973891	507.601	WESYFCFGBLOILN-RWPZCVJISA-N	00000000100000110100000000000010000000000000000000000000	31-01-153065
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)C=Cc1sccc1)C(=O)OC	PC-id_5046179	507.603	BOCRQZOGCUGHDD-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-153066
COc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(CO)C)S(=O)(=O)O	PC-id_139605628	507.62	OYHFSTMRHRDQQU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153067
COc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(O)(C)C)S(=O)(=O)O	PC-id_139605625	507.62	NSNDRGCGZNQNOT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153068
COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C=CC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-5699306547,EMOLS-id_300779320,PC-id_3411492	507.624	DWVKTSFESHKYTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153069
COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)cc1	PC-id_5818589,ZINC22_5941035	507.624	DWVKTSFESHKYTD-CXUHLZMHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153070
C=CN/C(=NC(C1=CC=CCc2c1nc([nH]2)NC(=O)/C(=C/COCCC1CCCC1)/N=CC=C)OC)/N	PC-id_143294048	507.628	PWYKNSZWMYQMRV-APWTZUOCSA-N	00000010100000000111000000000010000000000000000000000000	31-01-153071
C=C/C(=CC=Cc1sc2c(n1)[C@@H](CCCC2)CSc1ccc(c(c1)C)CCC(=O)O)/C(F)(F)F	PC-id_142923144	507.631	QCAAEXHLKAXTKO-QYXBAUFJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153072
N=CCC1NC=CC=C1C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)F	PC-id_145451527	507.64	IBTGLBKRZMTVNV-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-153073
CC(c1ccc(c2-c(c1)c(C)cc2/C=C/1c2ccccc2N(C1=O)C(c1ccccc1)c1ccccc1)C)C	SCHEMBL13324598	507.664	SYKLWCXKSTVZRD-GZZLJNBRSA-N	00000010100000110110000000001010000000000000000000000000	31-01-153074
CC(c1ccc(c2-c(c1)c(C)cc2/C=C
/c2ccccc2N(C1=O)C(c1ccccc1)c1ccccc1)C)C	SCHEMBL3283770,PC-id_68580622	507.664	SYKLWCXKSTVZRD-SNCSUOKWSA-N	00000010100000110110000000001010000000000000000000000000	31-01-153075
CC(c1ccc(c2-c(c1)c(C)cc2C=C1c2ccccc2N(C1=O)C(c1ccccc1)c1ccccc1)C)C	SCHEMBL3283772,PC-id_59301628	507.664	SYKLWCXKSTVZRD-UHFFFAOYSA-N	00000010100000110110000000001010000000000000000000000000	31-01-153076
N#Cc1c(NC(=O)c2ccc(cc2)S(=O)(=O)N(C(C)C)Cc2ccccc2)sc2c1CCCCC2	GD-id_ZINC11883170,PC-id_16833607	507.667	QWUHHTVYAVHYLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153077
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)NCc1ccccc1)C(=O)OCC	PC-id_20408503	507.667	OGCIXXLFCGOWTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153078
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)NCc1ccccc1)C(=O)OC	PC-id_20408496	507.667	SLJVUSSYHGZAAZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153079
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)C)C#N	PC-id_19642092	507.671	FUVBXOAGFCNHKT-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-153080
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC=C)C#N	PC-id_17255211	507.671	NWNVQZLHAQEUES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153081
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC=C)C#N	PC-id_17306113	507.671	ZASXVPWCUSMINY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153082
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)CC=C)C#N	PC-id_19636359	507.671	VTBZOUODZZPBTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153083
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC=C)C#N	PC-id_19643503	507.671	XXJUIZFDSBSUIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153084
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC=C)C#N	PC-id_20128905	507.671	RAZAQLAFHDTUBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153085
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)CC=C)C#N	PC-id_21165783	507.671	USVHUEHDQTUVOA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153086
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC=C)C#N	PC-id_21166115	507.671	YLBTZTADAYJKQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153087
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)CC=C)C#N	PC-id_21166439	507.671	RYYQAVTZBCONGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153088
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC=C)C#N	PC-id_17305062	507.671	WJGKDKVNPCEVMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153089
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC=C)C#N	PC-id_19732387	507.671	NYHIGTZQBDSRTR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153090
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC=C)C#N	PC-id_19732034	507.671	CFEFJMZNUKCWCI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153091
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC=C)C#N	PC-id_20123931	507.671	ZDEGERQEETVNBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153092
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC=C)C#N	PC-id_17263002	507.671	IJYCQNIPAJTDGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153093
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC=C)C#N	PC-id_17304417	507.671	QWMDVLDBDHGZOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153094
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)CC=C)C#N	PC-id_21165272	507.671	WBQDOMDDFGMQBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153095
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)CC=C)C#N	PC-id_21165475	507.671	STIDODAKUHTMGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153096
c1(c2CCCCCc2sc1NCc1ccc(cc1)N(CC)CC)C(=O)Nc1ccc(cc1OC)OC	GD-id_ZINC02182447,CoCoCo_6968265,ZINC22_2182447,MCULE-2236594463,PC-id_1818469,EMOLS-id_22050059,SPECS-id_AP-064/40658241	507.687	DXGNDCDGGLJSCB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153097
S(=O)(=O)(N1CCCC1)c1ccc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_19680500	507.689	CVPGSBBEBJZIRP-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-153098
S(=O)(=O)(N1CCCC1)c1ccc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_19680493	507.689	CBHZFWHZILAGEJ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-153099
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccc(cc1)C	PC-id_20180926	507.689	QZADWHVABLANPC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153100
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccccc1	PC-id_20180805	507.689	ZXJOTVDFHCWETP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153101
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC)c1ccccc1	PC-id_20180798	507.689	UTFHJPHJEWFDAB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153102
CCCOc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)C=NC(=O)c1cccc2c1cn(n2)C	PC-id_145451522	507.691	JRCDCVUJANDHMY-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-153103
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC1CC1	PC-id_138671181	507.691	YNIKTPKUXBRCBT-UHFFFAOYSA-N	00100000100010100101000001000010000000000000000000000000	31-01-153104
Cn1nc2c(c1)c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC1CC1	SCHEMBL21041552	507.691	YNIKTPKUXBRCBT-XUTJKUGGSA-N	00100000100010100101000001000010000000000000000000000000	31-01-153105
CCCCCCCCC1(CCCCCCCC)COc2c(OC1)c([nH]c2C(=O)OCC)C(=O)OCC	SCHEMBL182721,PC-id_11145616	507.702	KSIJGBJIQBVWBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153106
CCCCCCCCC1(CCCCCCCC)COOc2c(C1)c([nH]c2C(=O)OCC)C(=O)OCC	PC-id_22672962,SCHEMBL182720	507.702	OKTPLKKKTOZZAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153107
CCCC(Cn1ccc2=C(C)C=CC(C(=c12)Oc1ccc(cc1)Cc1ccccc1)C)CCCC(=O)C=C	PC-id_144786251	507.706	GNANAJHZUOVGQG-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-153108
CCCC1=C(Cc2ccc(cc2)c2ccccc2C(=C)C)C(=O)CC(c2n1ncn2)CCC1CCCCC1	PC-id_144032632	507.709	JJYWHGZVMMMIFW-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-153109
CCCN(C(c1nc2c(n1Cc1ccccc1)C=CCC=C2)O)CCCC(=O)NCCC(N(C)C)CC	PC-id_143645122	507.711	HGCFIGCFHHUDDG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153110
S=CS/C(=C/c1cccs1)/C(=O)N(CCC(=O)Nc1sc2c(c1C(=O)N)CCCCC2)C	PC-id_143287680	507.712	LNKUTEIPAOOTKZ-SFQUDFHCSA-N	00000000100100000100000000000010000000000000000000000000	31-01-153111
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC)C#N	PC-id_20124752	507.714	UUULRXKXIRJSLX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153112
C=C[C@@H]1c2ccsc2CCN([C@@H]1C(=O)O[Si](C(C)(C)C)(C)C)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966435	507.738	MKNOXVWRMPBMOE-KNQAVFIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153113
C=C[C@@H]1c2cc(sc2CCN([C@@H]1C(=O)O)S(=O)(=O)c1ccc(cc1)OC)[Si](C(C)(C)C)(C)C	PC-id_139966501	507.738	MCMCXGJKQFEXTR-GCJKJVERSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153114
S(=O)(=O)(N1C(C(c2c(scc2)CC1)C=C)C(=O)O[Si](C(C)(C)C)(C)C)c1ccc(OC)cc1	PC-id_76504483	507.738	MKNOXVWRMPBMOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153115
S(=O)(=O)(N1[C@H]([C@H](c2c(scc2)CC1)C=C)C(=O)O[Si](C(C)(C)C)(C)C)c1ccc(OC)cc1	PC-id_57310156	507.738	MKNOXVWRMPBMOE-SIKLNZKXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153116
O=C(Nc1ccc(c(c1)C)OC1=c2[nH]c(=O)[nH]c2=NC=CC1)N/C(=C/C=C(C(=C)C(F)(F)F)/Cl)/C	PC-id_143216021	507.893	RGPHOICTGUGJRO-GSAXPAMNSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153117
CC1(COC2=C(SC(=C2OC1)I(C)I)C(C)(C)C)C	PC-id_164060582	507.943	WGNIROPCRGDTLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153118
CC1(CCCc2c(C1NC1=C(C(=O)C1=O)Nc1c(c(c(cc1)Cl)S(=O)(=O)N(C)C)O)cco2)C	PC-id_137479596,SCHEMBL20721294	507.987	DUROEBGJMWGLQF-UHFFFAOYSA-N	00000100100000110100000000000010000000000000000000000000	31-01-153119
CC1(CCCc2c([C@H]1NC1=C(C(=O)C1=O)Nc1c(c(c(cc1)Cl)S(=O)(=O)N(C)C)O)cco2)C	PC-id_137501807,SCHEMBL20746093	507.987	DUROEBGJMWGLQF-JOCHJYFZSA-N	00000100100000110100000000000010000000000000000000000000	31-01-153120
Clc1ccc(NC(=O)C(=O)NC[C@H](NC(=O)c2sc3CN(CCCc3n2)C)C(=O)N(C)C)nc1	PC-id_58893905,SCHEMBL14497094	507.994	BEHTXIQYEPNRFL-AWEZNQCLSA-N	00000000100000101101000000000010000000000000000000000000	31-01-153121
Clc1ccc(NC(=O)C(=O)NCC(NC(=O)c2sc3CCN(CCc3n2)C)C(=O)N(C)C)nc1	SCHEMBL14496394,PC-id_58893868	507.994	DWBNDPKGFWZOMF-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-153122
Clc1ccc(NC(=O)C(=O)NCC(NC(=O)c2sc3CN(CCCc3n2)C)C(=O)N(C)C)nc1	SCHEMBL14496396,PC-id_58893829	507.994	BEHTXIQYEPNRFL-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-153123
CCc1cc2c(c(=O)n(c1=O)CCCO)n(c(n2)Oc1ccccc1C(C)C)Cc1ccc(cc1)Cl	PC-id_135268714,SCHEMBL20431868	508.009	PKCJMSHYVIIXLC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153124
Clc1ccc(OCc2oc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)cc1	GD-id_ZINC08925065,PC-id_4454901	508.01	DSAGJDLLDFJELC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153125
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)nc2)ccc(F)c1	PC-id_20179339	508.032	DHACHGCHJGTEMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153126
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)nc2)ccc(F)c1	PC-id_20179332	508.032	XMMNQEJXJWEDRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153127
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1F	PC-id_22195526	508.048	IPACTUOHBSSOAU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153128
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1F	PC-id_22195422	508.048	ZSWPRIJBACSRME-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153129
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc(F)c1	PC-id_17271084	508.048	WPMRDSPMEHFMKN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153130
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc(F)c1	PC-id_22194470	508.048	BITPDOHKNVKLDQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153131
CC1=C(SC2=C1SC[C@@H](C(=O)N2C)NC(=O)C3=NN=C(C3)CC4=CC=CC=C4)C#CC5(COC5)O	PC-id_164113208	508.124	CXNLKONIIVUSLH-IBGZPJMESA-N	00001011100000110101000000000010000000000000000000000000	31-01-153132
CCCC1=C(C=CC=C1C(F)(F)F)/C(=C(CC)/C2=NC3=CC(=CC=C=C3N2C)CF)/S(=O)(=O)CC	PC-id_154691007	508.181	ZXNQMCBJRUEIPB-MOHJPFBDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153133
CC[C@H](C)[C@@H](C(=O)NCCOP(=O)(O)OCCNC(=O)C)NC(=O)CC1=CNC2=C1C=CCC#C2	PC-id_163709465	508.209	KHXJEWZRVIJOER-AOMKIAJQSA-N	00000000100000000110000000000010000000000000000000000000	31-01-153134
C[C@H]1C(=O)N[C@@H](C2=NC(=NN2CCN(CCCC(=O)N1C)C(=O)C3=NNC4=CC=CC=C43)C)CC(C)C	PC-id_165425199	508.291	CMNREGIKVSRQDZ-LAUBAEHRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-153135
C1CCc2c(CC1)sc(c2C(=O)Nc1ccc(cc1)F)NC(=O)C(F)(F)I	PC-id_137658006	508.297	KQAJYDGVGGEVQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153136
CC1=C2C(=C(N(CC(C2=NN1)(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4)C)C(=O)OC(C)C	PC-id_160371793	508.305	GDSBFERPIOGAID-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153137
CC1=NC2=C(N1C)C(CN(C=C2C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4)(C)C	PC-id_160132856	508.305	UBTBXUCSZQBKEF-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153138
Brc1c2sc(CS(=O)(=O)CCCCCCCCS(=O)(=O)C2)c1Br	PC-id_10577564	508.309	GHTRTRYTAXUVRU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153139
c1(C(F)(F)F)c(Br)c(n(CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)n1)C	TIMTEC464822,PC-id_4395681,MCULE-9235832438,CoCoCo_5818426,ZINC22_8431761,EMOLS-id_4176178,SPECS-id_AK-968/12270633	508.353	TUBPTLKUKOGQPV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153140
c1(C(F)(F)F)c(Br)c(n(CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)n1)C	ZINC22_2741403,TIMTEC227926,MCULE-8638885255,EMOLS-id_4176176,PC-id_3449336,SPECS-id_AK-968/12117442,CoCoCo_5817407	508.353	IWDWYZWKFBZYGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153141
Brc1cc2/C(=C/c3c4-c(c(c3)C)c(OCCCN3CCOCC3)cccc4)/C(=O)Nc2nc1	CHEMBL1258489,BindingDB_PC-id_52945116,PC-id_52945116	508.407	GNSUZAVPGULMPX-HMAPJEAMSA-N	00000010100010100111000000001010000000000000000000000000	31-01-153142
Brc1cc2C(=Cc3c4-c(c(c3)C)c(OCCCN3CCOCC3)cccc4)C(=O)Nc2nc1	PC-id_75969284	508.407	GNSUZAVPGULMPX-UHFFFAOYSA-N	00000010100010100111000000001010000000000000000000000000	31-01-153143
c1(NC(=O)c2ccc(COc3c(Cl)ccc(Cl)c3)o2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_1743391,MCULE-4497546110,TIMTEC515281,CoCoCo_6920267,SPECS-id_AK-968/12344576,STOCK2S-89844,EMOLS-id_4466837,ZINC22_2084722	508.414	VYOBGMKGSXMXQU-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-153144
CCC(C(=O)O)Nc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700429	508.414	SZMBVSQHOMAIQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153145
Clc1c(/C=c/s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)c2ccccc2)ccc(Cl)c1	CoCoCo_3609850,PC-id_2309274	508.422	GRZYXOAMDICVDC-PLJWNNCISA-N	00000000100000110101100000000010000000000000000000000000	31-01-153146
Clc1c(C=c2sc(=C(c3n4CCCCCc4nn3)C#N)n(c2=O)c2ccccc2)ccc(Cl)c1	EMOLS-id_44488400,MCULE-4643939988,PC-id_4071680	508.422	GRZYXOAMDICVDC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153147
Clc1c(/C=c/2s/c(=C(c3n4CCCCCc4nn3)/C#N)/n(c2=O)c2ccccc2)ccc(Cl)c1	PC-id_2309271,CoCoCo_3609848	508.422	GRZYXOAMDICVDC-PTUFFKCBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153148
Clc1c(/C=c/2s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)c2ccccc2)ccc(Cl)c1	PC-id_2309273,CoCoCo_3609849	508.422	GRZYXOAMDICVDC-DHKLOISOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153149
Clc1cc(/C=c/2s/c(=C(c3n4CCCCCc4nn3)/C#N)/n(c2=O)c2ccccc2)ccc1Cl	CoCoCo_3609864,PC-id_2321931	508.422	STZOCOQJLJUVKE-PJIMYNAWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153150
Clc1cc(/C=c/2s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)c2ccccc2)ccc1Cl	CoCoCo_3609865,PC-id_2321933	508.422	STZOCOQJLJUVKE-LFHFXMRTSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153151
Clc1cc(C=c2sc(=C(c3n4CCCCCc4nn3)C#N)n(c2=O)c2ccccc2)ccc1Cl	MCULE-2815670677,EMOLS-id_300968943,PC-id_3322066	508.422	STZOCOQJLJUVKE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153152
N#C/C(=c
/s/c(=C/c2ccc(Cl)cc2Cl)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609851,ZINC22_105752608	508.422	GRZYXOAMDICVDC-HGQJUHKCSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153153
N#C/C(=c
/s/c(=C/c2ccc(Cl)c(Cl)c2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609867,ZINC22_33416974	508.422	STZOCOQJLJUVKE-HSVWJNBRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153154
N#C/C(=c/1s/c(=C/c2ccc(Cl)c(Cl)c2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	ZINC22_102963904,PC-id_2321934,CoCoCo_3609866	508.422	STZOCOQJLJUVKE-KJLWTOSRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153155
Clc1c(c2oc(C(=O)NC(=S)Nc3sc4c(CCCCC4)c3C(=O)N)cc2)cccc1Cl	PC-id_1618411	508.441	XNHFDKCJOMHIMS-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-153156
BrC(=CC1OC(=O)C#CC=C(CC(OC(=O)CC(CC(c2nc(sc2)C1)C)C)C)C)C	PC-id_72521154	508.468	UTXCIHCDWLCNTL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153157
Br/C(=C/[C@H]1OC(=O)C#C/C=C(/C[C@@H](OC(=O)C[C@@H](C[C@@H](c2nc(sc2)C1)C)C)C)C)/C	PC-id_59115906	508.468	UTXCIHCDWLCNTL-VAROAJJSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153158
C(NC(=O)Cc1ccccc1)(C(F)(F)F)(C(F)(F)F)Nc1sc2c(CCCCC2)c1C(=O)OC	ZINC22_2448189,GD-id_ZINC02448189,TIMTEC592778,STOCK4S-08325,EMOLS-id_4561145,MCULE-8463245595,PC-id_2043613	508.477	ZGYMUAQMOWGJNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153159
OC(=O)C1=CN(CC(c2c1[nH]nc2C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1	SCHEMBL19644539	508.49	VZDKRPOYCSARNN-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153160
COCOC(C1COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C)c1ccccn1	SCHEMBL18352932	508.495	AOGHZLJBURYKLV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-153161
NN(CC(=O)O)/N=C/C1=c2[nH]cc(c2=C(C=CC1)F)C(=O)C(=O)N1CCN(CC1)C(=O)c1ccccc1	PC-id_142107621	508.502	UMVLNAFNYVNKIG-VFLNYLIXSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153162
CN(CCOc1ccc(cc1)C(=O)N1C=C(C(=O)OC(C)C)c2c(C(C1)(C)C)c(n[nH]2)C(F)(F)F)C	SCHEMBL19644125	508.533	YMYYTKXLTZMTKV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153163
CN1CCN(CC1)C(=O)c1c(cc(cc1)c1ccc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965877,PC-id_89580242	508.545	VBZQNGYAWTWCQM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153164
O=C1C(CCn2c(N1C)cc(n2)CCN1CC2CC1CO2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL19659068	508.548	AHLFMZCPCQHJAU-UHFFFAOYSA-N	00000010100000110101000000000110000000000000000000000000	31-01-153165
O=C1[C@H](CCn2c(N1C)cc(n2)CCN1CC2CC1CO2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367421	508.548	AHLFMZCPCQHJAU-GRERDSQWSA-N	00000010100000110101000000000110000000000000000000000000	31-01-153166
O=C1[C@@H](CCn2c(N1C)cc(n2)CCN1CC2CC1CO2)NC(=O)c1ncn(n1)Cc1ccccc1F	SCHEMBL18367422	508.548	AHLFMZCPCQHJAU-GZNCHQMQSA-N	00000010100000110101000000000110000000000000000000000000	31-01-153167
COc1ccc(cc1)CN1C(C)COc2c(S1(=O)=O)sc(c2C(=O)Nc1ccc(c(c1)F)F)C	PC-id_140762780	508.558	RFAWBVULAJERRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153168
o1c2nc(c1CCC=CCNC(=O)OC(C(NC(=O)OC(C)(C)C)C(=O)NC2C(C)C)C)C(=O)OC	PC-id_78417800	508.565	RDWRETOGFXENBB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153169
o1c2nc(c1CCC=CCNC(=O)O[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)NC2C(C)C)C)C(=O)OC	PC-id_6612918	508.565	RDWRETOGFXENBB-AQYZNVCMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153170
o1c2nc(c1CCC=CCNC(=O)O[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2C(C)C)C)C(=O)OC	PC-id_6612920	508.565	RDWRETOGFXENBB-PVAVHDDUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153171
C[C@@H]1NC(=O)[C@H](C(C)C)n2nnc(c2)CNC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)C	PC-id_101860691	508.573	GVOPKYYCVGFXIL-PBFVBANWSA-N	00000000100000100101000001100010000000000000000000000000	31-01-153172
COc1cc(OC)ccc1CN(c1ccc(cn1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)C)C	PC-id_58256635,SCHEMBL12598928	508.589	ILQWMCBBCUDVJC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-153173
s1c2c(N(CC(=O)NC(C(C)C)C(=O)c3oc(nn3)Cc3cc(ccc3)C)C(=O)C(N=C2C)N)cc1	PC-id_21355014	508.593	JITKFBFYSWZNOI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153174
s1c2c(N(CC(=O)N[C@@H](C(C)C)C(=O)c3oc(nn3)Cc3cc(ccc3)C)C(=O)[C@@H](N=C2C)N)cc1	PC-id_53957676	508.593	JITKFBFYSWZNOI-NZQKXSOJSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153175
s1c2c(N(CC(=O)N[C@@H](C(C)C)C(=O)c3oc(nn3)Cc3cc(ccc3)C)C(=O)C(N=C2C)N)cc1	PC-id_53957675	508.593	JITKFBFYSWZNOI-AJZOCDQUSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153176
O=C(c1cccnc1C)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451879	508.599	GXQBWSGFPNVNGB-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153177
CCOC(=O)c1c2-c(c(c1SCCC(=O)OC)C(=O)OCC)ccc(cc2)SCCC(=O)OC	PC-id_102108075	508.604	XSCGDFFSHDRHRY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-153178
O=C1OC2=CC=CC=CC2C1=C(c1c(=O)oc2-c1ccccc2)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	PC-id_101755332	508.604	XOOIATQNDOFORH-UHFFFAOYSA-N	00000010100000110110000000000110000000000000000000000000	31-01-153179
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(=O)OC	PC-id_41274004	508.608	PXFBROZTEQYTAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153180
s1c2c(CCCCC2)c(c1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_41324364	508.608	YTWIYNYMKCUIEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153181
O(c1c2-c(c(C(c3ccc(/N=N/c4c5-c(c(OC)c4)ccccc5)cc3)c3ccccc3)c1)ccccc2)C	PC-id_10601730	508.609	UIEUZFJJZTXTPU-BSRQYYOTSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153182
CCN(CCC(=O)N1CCN(CC1)C(=O)C)C(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	PC-id_46049705,EMOLS-id_25387334,MCULE-9901674672	508.613	KWFYCBLCFHNQKI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153183
N1(CCOCC1)CCNC(=O)CCN(C1CC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	EMOLS-id_25387740,MCULE-5512332124,PC-id_46049949	508.613	AABFWDTWYACPOM-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-153184
[n+]1(CCC[n+]2ccc(/N=N/c3c4-c(cc3)ccccc4)cc2)ccc(/N=N/c2c3-c(cc2)ccccc3)cc1	PC-id_85832647	508.616	UUMYEZJLGNCPGY-UHFFFAOYSA-N	00000010100000101110000000000010000000000000000000000000	31-01-153185
[n+]1(CCC[n+]2cc(/N=N/c3c4-c(cc3)ccccc4)ccc2)cc(/N=N/c2c3-c(cc2)ccccc3)ccc1	PC-id_85832632	508.616	SZPLAMQVYCOSFZ-VHJMTFITSA-N	00000010100000101110000000000010000000000000000000000000	31-01-153186
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)COc1ccc(nc1)C)F	PC-id_138671943	508.624	FQQCMAVCPZJVAB-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153187
FC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)COc1ccc(nc1)C)F	SCHEMBL21042368	508.624	FQQCMAVCPZJVAB-WGSAOQKQSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153188
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccc(F)cc1	PC-id_16861635	508.626	VWNNPGAZPLVOBU-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-153189
c1(c2CCCCCc2sc1N=Cc1ccc(c(OC)c1OC)OC)C(=O)Nc1ccccc1OCC	MCULE-1406243204,PC-id_3284923	508.629	FRSCXXYNDUADOT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153190
CCOc1ccccc1NC(=O)c1c2CCCCCc2sc1/N=C/c1ccc(OC)c(OC)c1OC	EMOLS-id_46413587,ZINC22_101892878,PC-id_9662743,CoCoCo_6728586	508.629	FRSCXXYNDUADOT-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153191
CCOc1ccccc1NC(=O)c1c(/N=Cc2ccc(OC)c(OC)c2OC)sc2c1CCCCC2	ZINC22_15945621,TIMTEC154210,CoCoCo_6728587	508.629	FRSCXXYNDUADOT-RHANQZHGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153192
CN(C)CCC(=O)Nc1cccc(c1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCOCC1	PC-id_89125894	508.636	BRRWIBBZRXCNBM-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153193
CN(CCC(=O)Nc1cccc(c1)N/C/1=N/Cc2cc(sc2/C=CC/C=N1)C(=O)N1CCOCC1)C	SCHEMBL13591922	508.636	BRRWIBBZRXCNBM-CSPWJAJYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153194
c1(c2-c(c(C(c3ccccc3)C#Cc3ccccc3)c1)ccccc2)C(c1ccccc1)C#Cc1ccccc1	PC-id_86256395	508.65	SRYJEBSSIDJHLY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153195
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)OCCCN1CCCCC1)C	SCHEMBL19702847	508.652	NWBINTHLQMUJQX-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153196
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(cccc2)C)ccc1)C(=O)OC	PC-id_18911252	508.652	LJDAXKPFOHBGFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153197
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc(ccc2)C)ccc1)C(=O)OC	PC-id_18911384	508.652	UQUIRXQDIAEMCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153198
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc(cc2)C)ccc1)C(=O)OC	PC-id_18911516	508.652	XENIMYSMSJKRJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153199
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)Cc2ccccc2)ccc1)C(=O)OC	PC-id_18910988	508.652	CBZCWUVZFHBYQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153200
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C)ccc1)c1ccccc1)C(=O)OC	PC-id_18908810	508.652	MALDMAPVEDDNHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153201
CC(CC(C(=O)NC1CCCc2ncsc2CCNC(=O)C1O)NS(=O)(=O)c1ccccc1)C	PC-id_138730417,SCHEMBL21109572	508.654	YNXCANVSVWHWCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153202
COCCNC(=O)[C@@H]1C[C@H](CN1C(=O)c1cc2c(s1)CCN(CC2)C)NC(=O)C1CC=C(S1)O	SCHEMBL13473820,PC-id_70915498	508.654	YZFZZFHFPINQSR-LNKXUWQBSA-N	00000011100000000100000000000010000000000000000000000000	31-01-153203
O(CC1NC(=O)c2nn(cc2N(C1)Cc1ccc(cc1)c1ccccc1)CCc1ccccc1)C(C)(C)C	PC-id_25144163	508.654	QFOVAMLRINHYIY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153204
s1c(C(=O)N2C(CC(NC(=O)C3SC(=CC3)O)C2)C(=O)NCCOC)cc2c1CCN(CC2)C	PC-id_77953387	508.654	YZFZZFHFPINQSR-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-153205
C1CN(CCN1CC)C(=O)CCN(CC(C)C)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	MCULE-4201016510,EMOLS-id_25387262,PC-id_46049614	508.656	OOKHSKNJNJAXSK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153206
C=C1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)OCC(=O)N1CCN(CC1)CCC(C)(C)C	PC-id_143188631	508.656	UKQATOQJUACWFN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153207
CCN(CCC(=O)NCCN1CCCCC1)C(=O)c1cc2C(=O)N(Cc3ccccc3C)CCCn2n1	EMOLS-id_25387644,MCULE-2517508170,PC-id_46049780	508.656	ZOPHOHZHZQUAJE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153208
CCN(CCC(=O)NCCN1CCCCC1)C(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	PC-id_46049701,EMOLS-id_25387610,MCULE-5699721391	508.656	KGVPXGWSWNWKRR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153209
Cc1cccc(COc2ccc(/C=N/c3sc4c(c3C(=O)Nc3ccccc3)CCCCCC4)cc2)c1	ZINC22_408969194	508.674	IXBIXADLSDJZLM-QNKGDIEWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153210
Cc1ccc(COc2ccccc2/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408972199	508.674	NHMBBOLDLQTPFK-QNKGDIEWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153211
Cc1ccc(COc2ccc(/C=N/c3sc4c(c3C(=O)Nc3ccccc3)CCCCCC4)cc2)cc1	ZINC22_408970682	508.674	BXAGRWBEEBUTNT-QNKGDIEWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153212
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)C2CCCC2)nn1)C(=O)OCC	PC-id_23912152	508.677	ARAJLLWCQKYQEY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-153213
CC1CC(=CC=CC(=O)OC(Cc2ncc([nH]2)CCCCC(=O)N1)C=C(C)C=CC(=CCN(C)C)C)C	PC-id_88969674	508.695	FKPLUWSSSTWVAD-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153214
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CC(C)NC(=O)CCCCc2nc(C1)[nH]c2)/C)C)C	SCHEMBL12844941	508.695	FKPLUWSSSTWVAD-UKDZDYBVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153215
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)C[C@H](C)NC(=O)CCCCc2nc(C1)[nH]c2)/C)C)C	SCHEMBL12779293	508.695	FKPLUWSSSTWVAD-BNESPNMISA-N	00000000100000000111000000000010000000000000000000000000	31-01-153216
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)NC(=O)CCCCc2nc(C1)[nH]c2)/C)C)C	SCHEMBL16103951	508.695	FKPLUWSSSTWVAD-MMPYLIGOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153217
O1C(Cc2[nH]c(CCCCC(=O)N[C@H](C/C(=C/C=CC1=O)/C)C)cn2)/C=C(C)/C=C/C(=C/CN(C)C)/C	PC-id_58173206	508.695	FKPLUWSSSTWVAD-XRZAUCBJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153218
C=CC(C(/C(=CC(=C)C)/N1CCCN(CC1)c1ccc(c(c1)N=Cc1c(=O)[nH]c2-c1ccccc2)C)C)C	PC-id_144080676	508.697	WAKYNQZUKKZQSC-GRLREQMRSA-N	00000010100000110111100000000010000000000000000000000000	31-01-153219
c1(NC(=O)CCCC(=O)Nc2sc3c(CCCCCC3)c2C#N)sc2c(CCCCCC2)c1C#N	TIMTEC68732,ZINC22_2085826,SPECS-id_AK-968/12862283,MCULE-9576632127,PC-id_1744160,EMOLS-id_4176520,CoCoCo_5820641	508.699	BANLJASBJNIEIE-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-153220
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC)C#N	PC-id_19641863	508.702	HLXAGUOQKYIURI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153221
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)C)C#N	PC-id_19641754	508.702	KMBNQYMAJUFJAG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153222
Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(C)(C)F)sc4CC3)CC2)s1	BindingDB-id_989516,SCHEMBL21042312	508.715	KMECPQXFZFDCGK-WGSAOQKQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153223
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(C)C	PC-id_138671888	508.715	KMECPQXFZFDCGK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153224
CCOC(CN(C1CCC(CC1)CCC(=O)OC)C(=C)Nc1nc2c(s1)CCN(CC2)C)OCC	PC-id_88932121	508.717	USVZWVWVTDBXBU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153225
CCOC(CN(C(=C)Nc1nc2c(s1)CCN(CC2)C)[C@@H]1CC[C@H](CC1)CCC(=O)OC)OCC	SCHEMBL12533084	508.717	USVZWVWVTDBXBU-MEMLXQNLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153226
S(=O)(=O)(OC1C(c2oc(C(OCOCC[Si](C)(C)C)C(CCC#C1)C(=C)C)c(c2)C)C(=C)C)C	PC-id_85163948	508.743	LSHMRZGPAGNRKO-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-153227
S(=O)(=O)(O[C@H]1[C@H](c2oc([C@H](OCOCC[Si](C)(C)C)[C@@H](CCC#C1)C(=C)C)c(c2)C)C(=C)C)C	PC-id_10505836	508.743	LSHMRZGPAGNRKO-SODSZRCFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-153228
S(=O)(=O)(O[C@H]1[C@H](c2oc([C@@H](OCOCC[Si](C)(C)C)[C@@H](CCC#C1)C(=C)C)c(c2)C)C(=C)C)C	PC-id_10744249	508.743	LSHMRZGPAGNRKO-UBRJVWORSA-N	00000000100000000110000000000010000000000000000000000000	31-01-153229
Clc1ccc(Oc2cc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)cc([N+](=O)[O-])c2)cc1	PC-id_19523698	508.878	ULAZZTBSSCNXTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153230
Clc1cc(ccc1C(=O)N1CCCC(=O)c2c1ccs2)NC(=O)c1ccccc1OC(F)(F)F	SCHEMBL6989072,PC-id_69953866	508.897	WEMBRFDBOVBFCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153231
Clc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_20176573	509.008	QPLNZQJXTKESCU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153232
CC1=Cc2c(NC(=NC3CCCC3)CC1)n(c(n2)Nc1cc(cc(c1)C(F)(F)F)Cl)CC(C)(C)N	PC-id_137253087,SCHEMBL19687191	509.01	UXYCNPOUAKFYJZ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-153233
CC(C)c1ccc2-c(c(cc2S(=O)(=O)[O-])CCCC(=O)NS(=O)(=O)c2ccc(cc2)Cl)cc1	BindingDB_PC-id_91934743,PC-id_91934743	509.015	YJAFMBFVUAJZOK-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-153234
CC(C)c1ccc2-c(c(cc2S(=O)(=O)[O-])CCCCCS(=O)(=O)Nc2ccc(cc2)Cl)cc1	PC-id_91934740,BindingDB_PC-id_91934740,GD-id_ZINC29410864	509.058	LJCIQORSIANVMT-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-153235
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2c(c1)CCN(CC2)C)C(=O)N1CCC1	PC-id_77997430	509.084	KSZWWNZUBCCBPX-UHFFFAOYSA-N	00001011100000000100000000000010000000000000000000000000	31-01-153236
ClC1=CCC(S1)C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1sc2c(c1)CCN(CC2)C)C(=O)N1CCC1	PC-id_71055887,SCHEMBL14044888	509.084	KSZWWNZUBCCBPX-LNKXUWQBSA-N	00001011100000000100000000000010000000000000000000000000	31-01-153237
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cc(Cl)ccc3OC(C)C)sc3c2CCCCCC3)c1	ZINC22_408970530	509.103	AYSLDDWOMJRQII-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153238
CCCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C(=O)Nc1cc(C)ccc1C)CCCCCC2	ZINC22_408969399	509.103	NEXVOCVFXALGJB-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153239
CC1=C(SC2=C1SC[C@@H](C(=O)N2C)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4)C#CC5(COC5)O	PC-id_146817308	509.119	SBIVOCLQXWHCGL-INIZCTEOSA-N	00001000100000110101000000000010000000000000000000000000	31-01-153240
CC1=NC=C(S1)/C=C/C(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_160425891	509.198	QILDPVPNZJCUES-VOTSOKGWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153241
c1(CN(c2ccc(cc2)Br)C(=O)Nc2ccc(c(Cl)c2)Cl)nnc2CCCCCn12	CoCoCo_5791493,EMOLS-id_9819092,MCULE-3089825302,ZINC22_16740068,PC-id_16432508	509.226	VTWDMPPCNPPDLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153242
c1(nnc2CCCCCn12)N(Cc1ccc(cc1)Br)C(=O)Nc1ccc(c(Cl)c1)Cl	MCULE-2386849511,ZINC22_2684173,PC-id_5230904	509.226	QIMLCTZGCMJZEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153243
CC1=C(C=CC=N1)C(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCCC(F)(F)F	PC-id_160340292	509.232	TYBFYYNQLBVBST-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153244
CC1=C(C=CC=N1)C(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F)F	PC-id_162201331	509.232	ZRPVYUOPKUQJLY-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153245
CC(C)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)NC(=O)CC4=CC=CC5=NN(C=C54)C	PC-id_165112405	509.282	XXOBSFFHMXTRII-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-153246
BrP(CC1n2c(noc2=O)CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_59922999	509.375	KAVXFJDTKZNCAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153247
C1CN(Cc2cc(nn2C1)C(=O)NC1CCC(CC1)C(=O)O)C(=O)OCc1cc(cc(c1)Cl)Cl	PC-id_86345597,SCHEMBL17509114	509.382	PJCSIZODSNOBDU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153248
OC(=O)[C@@H]1CC[C@H](CC1)NC(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl	SCHEMBL16129708	509.382	PJCSIZODSNOBDU-RZDIXWSQSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153249
OC(=O)[C@@H]1CC[C@@H](CC1)NC(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl	SCHEMBL17509113	509.382	PJCSIZODSNOBDU-RHNCMZPLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153250
BrC(=CC1OC(=O)C=CC=C(CC(OC(=O)C=C(NC)CCc2nc(sc2)C1)C)C)C	PC-id_72458076	509.456	KMGADOGZYIKEGZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153251
Br/C(=C/[C@H]1OC(=O)C=CC=C(C[C@@H](OC(=O)/C=C(NC)/CCc2nc(sc2)C1)C)C)/C	PC-id_58902913	509.456	KMGADOGZYIKEGZ-CAEAZMEFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153252
CN/C/1=CC(=O)O[C@@H](C)C/C(=C/C=CC(=O)O[C@@H](Cc2nc(CC1)cs2)/C=C(/Br)C)/C	SCHEMBL13297185	509.456	KMGADOGZYIKEGZ-ZKGBNCKASA-N	00000000100000000111000000000010000000000000000000000000	31-01-153253
COc1ccc(cc1C(F)(F)F)C(=O)N1CCCc2c(F)cc(n2CCN(CCC1)C)C(F)(F)F	SCHEMBL18888356	509.46	RXTUXZUIVLBVLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153254
Clc1ccc(cc1)NC(=O)Cc1c(sc2c1CCCCC2)NS(=O)(=O)c1ccc(cc1)Cl	PC-id_140109331	509.468	DYUGGSBNRUKWEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153255
Clc1cc(Cn2ncc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2)ccc1Cl	PC-id_20166719	509.472	DEDZVKZEWKXQEC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153256
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cc2)ccc1Cl	PC-id_20173438	509.472	YFBQWQULDUZZJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153257
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2)ccc(Cl)c1	PC-id_19679403	509.472	UWAIDLVGMSBINI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153258
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2)c(Cl)ccc1	PC-id_20167765	509.472	MRFXGSDYCVSFNB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153259
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cc2)ccc(Cl)c1	PC-id_20172847	509.472	UFDBIDIWXZAGPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153260
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nn(Cc2c(Cl)cccc2)c1	PC-id_20172670	509.472	MMEIJGLBYGUYFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153261
CN1CCN(CC1)C(=O)c1c(cc(cc1)c1nccc(c1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580186,SCHEMBL14965806	509.533	KSGXVEKBVHIHKH-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-153262
CN1CCN(CC1)C(=O)c1c(ccc(c1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	PC-id_89580436,SCHEMBL14966144	509.533	FLXCUFSPTNWUAT-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-153263
CN1CCN(CC1)C(=O)c1c(ccc(c1)c1nc(ccc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14965647,PC-id_89580072	509.533	MPGSMWAVEHCMSE-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-153264
CN1CCN(CC1)C(=O)c1c(cc(cc1)c1nc(ccc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14966153,PC-id_89580445	509.533	AFLXTAWAEDRTLD-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-153265
CN1CCN(CC1)C(=O)c1c(cc(cc1)c1ncc(cc1)CN1CCn2cc(nc2OCC1)[N+](=O)[O-])F	SCHEMBL14966238,PC-id_89580505	509.533	WKJSSVPQOQKAKR-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-153266
OCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)O)C	PC-id_139605623	509.538	XIISRTALBPLHGB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153267
OC(=O)c1cc(c2-c1ccc(cc2)C(O)(C)C)CCCCNS(=O)(=O)c1ccc(cc1)C(F)(F)F	PC-id_139605586	509.538	DTHXHTSBIFQEKO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153268
s1c2c(CCCCCC2)c(c1NC(NC(=O)c1ccc(OC)cc1)(C(F)(F)F)C(=O)OCC)C#N	PC-id_3605024	509.541	ARZFPJZREUAVCN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153269
CCOC(=O)C1=CN(CC(c2c1nn(c2C)Cc1ccc(cc1)OC)(C)C)C(=O)c1ccc(c(c1)F)F	PC-id_121358711,SCHEMBL17777769	509.544	HMFSCOWPYZFIKK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153270
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2cc(ccc2)C(F)(F)F)cn1)C(=O)OC	PC-id_20178519	509.568	POAPVFCOJYSHGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153271
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)c(c2)NC(=O)C(=O)C)CC	SCHEMBL13449406,PC-id_70905799	509.572	GHDOJYDNTOVLKU-AQTBWJFISA-N	00000010100000100100000000001010000000000000000000000000	31-01-153272
COCC(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCCC3)/c2cc1F	PC-id_25116063,SCHEMBL3140030	509.572	GKOJJAABCKLXHU-AQTBWJFISA-N	00000010100000100100000000001010000000000000000000000000	31-01-153273
COCC(=O)Nc1cc2NC(=O)C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCCC3)c2cc1F	PC-id_68526215,SCHEMBL3140034	509.572	GKOJJAABCKLXHU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-153274
Fc1cc2C(=Cc3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)C(=O)Nc2cc1NC(=O)C(=O)C	PC-id_77950532	509.572	GHDOJYDNTOVLKU-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-153275
OCC(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCCCC3)/c2cc1F	PC-id_145511795	509.572	QEOCHWNZBWYRJF-AQTBWJFISA-N	00000010100010100100000000001010000000000000000000000000	31-01-153276
O=C(N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)/C=C/c1ccccc1	PC-id_138671529,SCHEMBL21041916	509.584	GHLIYNQLJXLDKX-XCBOUCJHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153277
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(ccc1)C(F)(F)F)C(=O)OCC	PC-id_22199212	509.584	NKSDKTAAMZTBRQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153278
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)c1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_22199157	509.584	BENUKNDSYRIRDN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153279
CCc1cc2c(s1)N(Cc1ccc(cc1)c1ccccc1C#N)C(=O)CN(C2=O)Cc1ccc(cc1)F	SCHEMBL2776830,PC-id_59351691	509.594	FSZQPZWPXXLVRT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153280
C1N(CCC(C(=O)OCC)C1)C(=O)C(C)NC(=O)c1cc2n(n1)CCCN(Cc1ccc(cc1)C)C2=O	PC-id_46049669,MCULE-6231021314,EMOLS-id_25387558	509.597	UZAMEZNWDGCNBI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153281
C1N(CCC(C(=O)OCC)C1)C(=O)C(C)NC(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O	MCULE-7300827923,EMOLS-id_25387654,PC-id_46049727	509.597	FDPWYUKBUPCMER-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153282
C1N(CCC(C(=O)OCC)C1)C(=O)C(C)NC(=O)c1cc2n(n1)CCCN(Cc1c(C)cccc1)C2=O	PC-id_46049766,MCULE-3559937001,EMOLS-id_25387636	509.597	FRAOUUGWBRAUCN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153283
C1N(CCC(C(=O)OCC)C1)C(=O)CN(C)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O	MCULE-6727988727,EMOLS-id_25388454,PC-id_46049741	509.597	CFPGJHYNUCPFED-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153284
CCOC(=O)C1CCCN(C1)C(=O)C(C)NC(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	EMOLS-id_25387622,PC-id_46049671,MCULE-9032321140	509.597	AJTANMPGJWNVQJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153285
CCOC(=O)C1CCCN(C1)C(=O)C(C)NC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	EMOLS-id_25387658,MCULE-2725022418,PC-id_46049728	509.597	OBQGOWZMJXYLMZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153286
CCOC(=O)C1CCCN(C1)C(=O)CCNC(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	PC-id_46049761,MCULE-8611729324,EMOLS-id_25388010	509.597	YGVFEUHTUVUALN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153287
CCOC(=O)C1CCCN(C1)C(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccccc3C)CCCn2n1	MCULE-2084332469,EMOLS-id_25388108,PC-id_46049773	509.597	VDXDDEVMMFXLQI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153288
CCOC(=O)C1CCCN(C1)C(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	MCULE-3855452791,PC-id_46049681,EMOLS-id_25387992	509.597	UMZYUXGYQFJDFH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153289
CCOC(=O)C1CCCN(C1)C(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	MCULE-6374840259,EMOLS-id_25388074,PC-id_46049743	509.597	RLJPWNSMUSOFKE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153290
CCOC(=O)C1CCN(CC1)C(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C	PC-id_93332352	509.597	UZAMEZNWDGCNBI-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153291
CCOC(=O)C1CCN(CC1)C(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C	PC-id_93332353	509.597	UZAMEZNWDGCNBI-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-153292
CCOC(=O)C1CCN(CC1)C(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1C)C	PC-id_93332384	509.597	FRAOUUGWBRAUCN-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153293
CCOC(=O)C1CCN(CC1)C(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1C)C	PC-id_93332385	509.597	FRAOUUGWBRAUCN-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-153294
CCOC(=O)C1CCN(CC1)C(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_93332386	509.597	FDPWYUKBUPCMER-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153295
CCOC(=O)C1CCN(CC1)C(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_93332387	509.597	FDPWYUKBUPCMER-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-153296
CCOC(=O)[C@@H]1CCCN(C1)C(=O)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C	PC-id_93332462	509.597	YGVFEUHTUVUALN-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153297
CCOC(=O)[C@H]1CCCN(C1)C(=O)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C	PC-id_93332463	509.597	YGVFEUHTUVUALN-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153298
CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C	PC-id_93332380	509.597	AJTANMPGJWNVQJ-TZIWHRDSSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153299
CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C	PC-id_93332381	509.597	AJTANMPGJWNVQJ-CTNGQTDRSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153300
CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C	PC-id_93332382	509.597	AJTANMPGJWNVQJ-PZJWPPBQSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153301
CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C	PC-id_93332383	509.597	AJTANMPGJWNVQJ-FPOVZHCZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153302
CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_93332388	509.597	OBQGOWZMJXYLMZ-TZIWHRDSSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153303
CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_93332389	509.597	OBQGOWZMJXYLMZ-CTNGQTDRSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153304
CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_93332390	509.597	OBQGOWZMJXYLMZ-PZJWPPBQSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153305
CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_93332391	509.597	OBQGOWZMJXYLMZ-FPOVZHCZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153306
CCOC(=O)[C@@H]1CCCN(C1)C(=O)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C	PC-id_93332460	509.597	UMZYUXGYQFJDFH-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153307
CCOC(=O)[C@H]1CCCN(C1)C(=O)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)C	PC-id_93332461	509.597	UMZYUXGYQFJDFH-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153308
CCOC(=O)[C@@H]1CCCN(C1)C(=O)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_93332478	509.597	RLJPWNSMUSOFKE-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153309
CCOC(=O)[C@H]1CCCN(C1)C(=O)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1cccc(c1)C)C	PC-id_93332479	509.597	RLJPWNSMUSOFKE-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153310
CCOC(=O)[C@@H]1CCCN(C1)C(=O)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1C)C	PC-id_93332486	509.597	VDXDDEVMMFXLQI-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153311
CCOC(=O)[C@H]1CCCN(C1)C(=O)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1C)C	PC-id_93332487	509.597	VDXDDEVMMFXLQI-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153312
O(C(=O)C1CCCN(C1)C(=O)CCNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)CC	PC-id_42855036	509.597	QSJLCZCIRGEOFU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153313
O(C(=O)C1CCCN(C1)C(=O)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)CC	PC-id_42854984	509.597	BLVMKHITOCJKMW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153314
O(C(=O)C1CCCN(C1)C(=O)C(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1c(cccc1)C)C)CC	PC-id_42855013	509.597	NSKKLTCDSDWKMX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153315
O(C(=O)C1CCN(CC1)C(=O)CCNC(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)CC	PC-id_42855035	509.597	BSVQUUZQXVICFP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153316
O(C(=O)C1CCN(CC1)C(=O)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)CC	PC-id_42854982	509.597	JMHORKASEILRIU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153317
O(C(=O)C1CCN(CC1)C(=O)CCNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)CC	PC-id_42855004	509.597	KDNCOFPLIBCVAH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153318
O(C(=O)C1CCN(CC1)C(=O)CN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)C)CC	PC-id_42854973	509.597	JXPUHIVNQWXTGU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153319
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s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(c2[nH]c(c(n2)C)C)cc1)CC)C(=O)OC	PC-id_24055555	509.617	QUSQPZQZZHJALL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153322
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(c2[nH]c(c(n2)C)C)cc1)C)C(=O)OCC	PC-id_24082875	509.617	NDEFEOVMJUKKNO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153323
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(c2[nH]c(c(n2)C)C)cc1)C)C(=O)OC	PC-id_24137150	509.617	LVPFPQQSVMNKNR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153324
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1ccc(c2[nH]c(c(n2)C)C)cc1)C(=O)OCC	PC-id_23744478	509.617	LXEORPSVFXBANI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153325
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(cc1)c1[nH]ccn1)CC)C(=O)OCC	PC-id_23860604	509.617	SFEGGKDEEYZAAO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153326
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)S(=O)(=O)c1cccc(c1)OC)nn2)C	PC-id_134828924	509.619	BTERMKMNIOUJJY-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153327
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)S(=O)(=O)c1cccc(c1)OC)nn2)C	PC-id_134828933	509.619	BTERMKMNIOUJJY-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-153328
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)S(=O)(=O)c1ccc(cc1)OC)nn2)C	PC-id_134828967	509.619	RRPHZEJBOMPLJM-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153329
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1OC)C)C	CHEBI:113318,PC-id_44505129	509.619	WYMIJPVEWZCEGL-LQWHRVPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153330
OC[C@@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	CHEBI:113410,PC-id_44505126	509.619	AWVASGRLDZTAAI-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153331
OC[C@@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	CHEBI:95517,PC-id_44505164	509.619	RLIRIECCVMDDQV-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153332
OC[C@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	CHEBI:95571,PC-id_44505971	509.619	RLIRIECCVMDDQV-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-153333
OC[C@@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	CHEBI:96179,PC-id_44504960	509.619	RLIRIECCVMDDQV-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153334
OC[C@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	CHEBI:96738,PC-id_44505339	509.619	AWVASGRLDZTAAI-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-153335
OC[C@@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1OC)C)C	CHEBI:96762,PC-id_44496389	509.619	WYMIJPVEWZCEGL-WFXMLNOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153336
OC[C@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1OC)C)C	CHEBI:96854,PC-id_44496822	509.619	WYMIJPVEWZCEGL-UEXGIBASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153337
OC[C@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1OC)C)C	PC-id_44496390,CHEBI:113404	509.619	WYMIJPVEWZCEGL-WAOWUJCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153338
OC[C@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	PC-id_44504934,CHEBI:96573	509.619	AWVASGRLDZTAAI-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153339
CCCCC1(CCCC)CC(=O)c2c(C(=O)C1)c(n(c2C(=O)OCC)Cc1ccccc1)C(=O)OCC	PC-id_102178240	509.634	ILQUOWHDMLKBDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153388
OC[C@@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	PC-id_44504935,CHEBI:96869	509.619	AWVASGRLDZTAAI-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-153340
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	PC-id_44504957,CHEBI:95487	509.619	RLIRIECCVMDDQV-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153341
OC[C@@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1OC)C)C	PC-id_44505125,CHEBI:113476	509.619	WYMIJPVEWZCEGL-LVCYWYKZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153342
OC[C@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	PC-id_44505136,CHEBI:96750	509.619	AWVASGRLDZTAAI-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153343
OC[C@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	PC-id_44505139,CHEBI:95980	509.619	AWVASGRLDZTAAI-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153344
OC[C@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	PC-id_44505159,CHEBI:96628	509.619	RLIRIECCVMDDQV-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153345
OC[C@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	PC-id_44505160,CHEBI:96010	509.619	RLIRIECCVMDDQV-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153346
OC[C@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccccc1OC)C)C	PC-id_44505340,CHEBI:113434	509.619	WYMIJPVEWZCEGL-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153347
OC[C@@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	PC-id_44505378,CHEBI:96230	509.619	RLIRIECCVMDDQV-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-153348
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	PC-id_44505727,CHEBI:96847	509.619	AWVASGRLDZTAAI-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153349
OC[C@@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	PC-id_44505939,CHEBI:112539	509.619	AWVASGRLDZTAAI-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153350
OC[C@H](N1C[C@@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	CHEBI:112460,PC-id_44504953	509.619	IZYFSJYDPLTURU-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153351
OC[C@@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1OC)C)C	CHEBI:112549,PC-id_44505346	509.619	QLGFDRXFQQZFKX-BBTUJRGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153352
OC[C@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	CHEBI:112557,PC-id_44505967	509.619	IZYFSJYDPLTURU-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153353
OC[C@@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1OC)C)C	CHEBI:112572,PC-id_44505141	509.619	QLGFDRXFQQZFKX-LVCYWYKZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153354
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1OC)C)C	CHEBI:112610,PC-id_44505140	509.619	QLGFDRXFQQZFKX-LQWHRVPQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153355
OC[C@H](N1C[C@@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1OC)C)C	CHEBI:95707,PC-id_44496391	509.619	QLGFDRXFQQZFKX-OPYAIIAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153356
OC[C@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1OC)C)C	CHEBI:95749,PC-id_44505142	509.619	QLGFDRXFQQZFKX-DBXWQHBBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153357
OC[C@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1OC)C)C	CHEBI:96475,PC-id_44505133	509.619	QLGFDRXFQQZFKX-UEXGIBASSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153358
OC[C@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	CHEBI:96545,PC-id_44505130	509.619	QVFRXOMYJDWMPT-SVMVAKDDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153359
OC[C@@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	CHEBI:96566,PC-id_44505537	509.619	QVFRXOMYJDWMPT-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153360
OC[C@H](N1C[C@@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	CHEBI:96668,PC-id_44505728	509.619	QVFRXOMYJDWMPT-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153361
OC[C@@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	CHEBI:96822,PC-id_44505336	509.619	QVFRXOMYJDWMPT-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-153362
OC[C@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	CHEBI:96827,PC-id_44497710	509.619	QVFRXOMYJDWMPT-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-153363
OC[C@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	CHEBI:96976,PC-id_44505935	509.619	QVFRXOMYJDWMPT-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153364
OC[C@@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	CHEBI:97045,PC-id_44497248	509.619	IZYFSJYDPLTURU-SPEDKVCISA-N	00000000100000110101000000000010000000000000000000000000	31-01-153365
OC[C@@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1OC)C)C	CHEMBL1872566,PC-id_44494479,CHEBI:112517	509.619	QLGFDRXFQQZFKX-WFXMLNOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153366
OC[C@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccccc1OC)C)C	PC-id_44496392,CHEBI:96599	509.619	QLGFDRXFQQZFKX-WAOWUJCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153367
OC[C@@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	PC-id_44498540,CHEBI:112478	509.619	IZYFSJYDPLTURU-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153368
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)OC)C)C	PC-id_44504931,CHEBI:96759	509.619	QVFRXOMYJDWMPT-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153369
OC[C@@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	PC-id_44504951,CHEBI:112592	509.619	IZYFSJYDPLTURU-KGVIQGDOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153370
C(c1c2-c(c(c1)C=Cc1c3-c(cc1)ccccc3)ccccc2)(c1c2-c(cc1)ccccc2)Cc1ccccc1	PC-id_72768660	510.666	GBWLNKDUQOPHIL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153547
OC[C@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	PC-id_44505163,CHEBI:95999	509.619	IZYFSJYDPLTURU-NJNPRVFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-153371
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	PC-id_44505172,CHEBI:112558	509.619	IZYFSJYDPLTURU-FGSXEWAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153372
OC[C@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1cccc(c1)OC)C)C	PC-id_44505966,CHEBI:96908	509.619	IZYFSJYDPLTURU-JBYIUTFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153373
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)c1ccc(OC)cc1	PC-id_75036132	509.619	QVFRXOMYJDWMPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153374
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)c1cc(OC)ccc1	PC-id_75036141	509.619	IZYFSJYDPLTURU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153375
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)c1c(OC)cccc1	PC-id_75036246	509.619	QLGFDRXFQQZFKX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153376
S(=O)(=O)(N(CC1OCc2nnn(CCCC(=O)N(CC1C)C(CO)C)c2)C)c1ccc(OC)cc1	PC-id_75036133	509.619	AWVASGRLDZTAAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153377
S(=O)(=O)(N(CC1OCc2nnn(CCCC(=O)N(CC1C)C(CO)C)c2)C)c1cc(OC)ccc1	PC-id_75036139	509.619	RLIRIECCVMDDQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153378
S(=O)(=O)(N(CC1OCc2nnn(CCCC(=O)N(CC1C)C(CO)C)c2)C)c1c(OC)cccc1	PC-id_75036244	509.619	WYMIJPVEWZCEGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153379
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1ccc(OC)cc1	PC-id_44505343	509.619	QVFRXOMYJDWMPT-NPPFBWRTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153380
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1cc(OC)ccc1	PC-id_44504949	509.619	RLIRIECCVMDDQV-HMFYCAOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153381
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C)c1c(OC)cccc1	PC-id_44505134	509.619	WYMIJPVEWZCEGL-BBTUJRGHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153382
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1c(OC)cccc1	PC-id_44505342	509.619	WYMIJPVEWZCEGL-OPYAIIAOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153383
O=C(CN1C(=O)CCC(c2c1ccs2)CC(=O)O)NCC1CCC(CC1)Nc1nc2c([nH]1)cccc2	PC-id_69285160,SCHEMBL5028367	509.62	HMKUMZFOMLOIPP-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-153384
O=C(Cc1ccc(cc1)F)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	PC-id_138671087	509.627	HMQDLPYKQRFSGE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153385
O=C(Cc1ccc(cc1)F)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	SCHEMBL21041454	509.627	HMQDLPYKQRFSGE-XGAFWQRZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153386
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C1CCCc2c(CC1)nnn2C(=CC#CCS(=O)(=O)c1ccccc1)CS(=O)(=O)c1ccccc1	PC-id_134834604	509.64	BTJSGJYUHUOCKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153390
CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc23)sc2CCCCCc12	ZINC22_9599766,GD-id_ZINC09599766,EMOLS-id_12034950,MCULE-7184452965,CoCoCo_5058701,PC-id_16825454	509.64	MICWBVTWFKUEHL-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-153391
COc1cccc(c1)CNC(=O)[C@@H]1C[C@H](CN1C1CCN(CC1)C(=O)c1n[nH]c2c1CCCCCC2)O	MCULE-2529412036,PC-id_110197272,EMOLS-id_49723279	509.64	LTJYFJRSNBXKIL-BWKNWUBXSA-N	00000010100010110101100000000010000000000000000000000000	31-01-153392
O=S(=O)(c1ccccc1)CC#C/C=C(/n1nnc2c1CCCCCC2)CS(=O)(=O)c1ccccc1	PC-id_101800634	509.64	BTJSGJYUHUOCKA-LPYMAVHISA-N	00000000100000110101000000000010000000000000000000000000	31-01-153393
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(c2c([N+](=O)[O-])cccc2)cc1)C(=O)OCC	PC-id_20166881	509.64	ZNDRQAJLUHMDNE-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-153394
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC=C)C#N	PC-id_17301830	509.644	CLZDUSITJFDHJB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153395
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)CC=C)C#N	PC-id_17305326	509.644	BLCUCLWLYWXVJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153396
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)CCCCN1CCCc2c(C1=O)ccs2	PC-id_19881115,SCHEMBL9039056	509.654	PANUTJIZEMDBLM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153397
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC	PC-id_20168817	509.662	AANOQZHJGFZLHM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153398
S(=O)(=O)(N1CCOCC1)c1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_19680428	509.662	NOXRYWIXITVSLF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153399
CCCn1c(=O)n(c2c1CCN=CC2)Cc1nc2c(n1CC(=C)CC/C(=CC)/S(=O)(=O)C)cccc2	PC-id_142101788	509.663	DWMFVIRRNYODAV-AERZKKPOSA-N	00000000100000100111000001000010000000000000000000000000	31-01-153400
CC1CC(=CC=CC(=O)OC(Cc2ncc([nH]2)CCCCC(=O)O1)C=C(C)C=CC(=CCN(C)C)C)C	PC-id_91427425	509.68	OYJRAGHDQTYJGT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153401
CC1CC(=CC=CC(=O)OC(Cc2nc(co2)CCCCC(=O)N1)C=C(C)C=CC(=CCN(C)C)C)C	PC-id_90455395	509.68	ZMASIWPBWYUOBB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153402
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CC(C)NC(=O)CCCCc2nc(C1)oc2)/C)C)C	SCHEMBL16093262	509.68	ZMASIWPBWYUOBB-UKDZDYBVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153403
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CC(C)OC(=O)CCCCc2nc(C1)[nH]c2)/C)C)C	SCHEMBL13315389	509.68	OYJRAGHDQTYJGT-UKDZDYBVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153404
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CCCCc2nc(C1)[nH]c2)/C)C)C	SCHEMBL13297158	509.68	OYJRAGHDQTYJGT-MMPYLIGOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153405
O1C(C/C(=C/C=CC(=O)OC(Cc2[nH]c(CCCCC1=O)cn2)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C)C	PC-id_58885305	509.68	OYJRAGHDQTYJGT-OWDFZKTMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153406
O1[C@H](C/C(=C/C=CC(=O)OC(Cc2[nH]c(CCCCC1=O)cn2)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C)C	PC-id_10239278	509.68	OYJRAGHDQTYJGT-XRZAUCBJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153407
O1[C@H](CC(=CC=CC(=O)OC(Cc2[nH]c(CCCCC1=O)cn2)/C=C(C)/C=C/C(=C/CN(C)C)/C)C)C	PC-id_22871141	509.68	OYJRAGHDQTYJGT-QLZQZIIYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153408
O1[C@H](C/C(=C/C=CC(=O)O[C@@H](Cc2[nH]c(CCCCC1=O)cn2)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C)C	PC-id_58885288	509.68	OYJRAGHDQTYJGT-WFXAWJRDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153409
NC(C(=O)NCCCCCCCCCCCC1=CC(=O)c2c(N(C1O)C)ncn2C)Cc1ccccc1	PC-id_141831458	509.683	WHSKJUUKVHTQNQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153410
OCC1CCC(C1)N/C(=C(c1cc2c(o1)C(=NC(=CC2)OCC1CC1)C)/CC)/NC(=NC)NCC1CC1	PC-id_143945478	509.683	WZIHYTANFWJOOC-ZZIIXHQDSA-N	00100010100000000110000000000010000000000000000000000000	31-01-153411
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC)C#N	PC-id_17302265	509.687	UZKILBXKXSZRSC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153412
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC)C#N	PC-id_19732626	509.687	XPTSKBUWYXNLTA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153413
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC)C#N	PC-id_17255001	509.687	SQAWUGLNLVTNRL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153414
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC)C#N	PC-id_17267353	509.687	UMLRAADTDBDHIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153415
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC)C#N	PC-id_17306235	509.687	IRIZAISWYBNHFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153416
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)CC)C)CC)C#N	PC-id_17306648	509.687	BCOVITIPOXSGGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153417
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC)C#N	PC-id_19643727	509.687	UKGKSXMXJYEYBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153418
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC)C#N	PC-id_19632410	509.687	OOIZEOXVSKIZBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153419
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)C)C#N	PC-id_19639161	509.687	YUZSIWIJRABGLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153420
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)C)C#N	PC-id_17305158	509.687	VHAJMTDULORHDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153421
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)C)C#N	PC-id_17262149	509.687	KUBUEZNCBNBDCB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153422
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)C)C#N	PC-id_19732856	509.687	ODKRJEHRYKETJP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153423
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)CC)C#N	PC-id_17306014	509.687	ASOVIXALMXIOOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153424
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC)C#N	PC-id_19635895	509.687	AMDCZFGHHHOOLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153425
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC)C#N	PC-id_19636588	509.687	QYOBZJZFBBLZCU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153426
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)C)C#N	PC-id_19636818	509.687	BBZUAPSHBKZIGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153427
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)C)C#N	PC-id_19637176	509.687	RRQJJRWPGPRYPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153428
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)C)C#N	PC-id_19637520	509.687	FZYUEKQCFCVHRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153429
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC)C#N	PC-id_19643418	509.687	NNRQSJYIKYXJNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153430
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)C)C#N	PC-id_19643603	509.687	IAMFJROIKIADAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153431
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC)C#N	PC-id_20128802	509.687	YXVKKLSLNBTVQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153432
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)CC)C#N	PC-id_21165670	509.687	MEBOEQRYYTZYCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153433
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC)C#N	PC-id_21166003	509.687	TWYIEBXHWADTHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153434
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)CC)C#N	PC-id_21166311	509.687	LGNLVNWBAQVUBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153435
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC)C#N	PC-id_19632175	509.687	LSFNBTDRQCMHOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153436
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(CC)cc1)C)C)C#N	PC-id_19638874	509.687	JYUYMAYRUXSSQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153437
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)C)C#N	PC-id_19632330	509.687	HRLOVTBJHFLCGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153438
Cc1c2-c(c(cc2C=c2ccc(=CC=C3C=C(c4c3[c+](ccc(c4)C(C)C)C)C)cc2)C)cc(cc1)C(C)C	PC-id_136910859	509.743	PKKZLRUPRQQKPY-UHFFFAOYSA-N	00000011100000100110000000000010000000000000000000000000	31-01-153439
CC(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1(C)CCC1	SCHEMBL19553627	509.746	ZFXZDNQTLNKYMS-UHFFFAOYSA-N	00001000100010101100000000000010000000000000000000000000	31-01-153440
CC(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1CCCC1	SCHEMBL19554705	509.746	FKYAWGASPBZRMD-UHFFFAOYSA-N	00000010100010101100000000000010000000000000000000000000	31-01-153441
C[C@@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1(C)CCC1	SCHEMBL19553626	509.746	ZFXZDNQTLNKYMS-OAQYLSRUSA-N	00001000100010101100000000000010000000000000000000000000	31-01-153442
C[C@@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1CCCC1	SCHEMBL19554704	509.746	FKYAWGASPBZRMD-OAQYLSRUSA-N	00000010100010101100000000000010000000000000000000000000	31-01-153443
O=C1N(CCCc2c1c(C)c(s2)CCC1CCN(CC1)CC1CCCC1)Cc1c(C)cc([nH]c1=O)C	SCHEMBL19553706	509.746	RAVVUZYSCRGZDQ-UHFFFAOYSA-N	00000010100010101100000000000010000000000000000000000000	31-01-153444
O=C1N(CCCc2c1c(C)c(s2)CCC1CCN(CC1)CC1(C)CCC1)Cc1c(C)cc([nH]c1=O)C	SCHEMBL19554112	509.746	KSRABDOGPJSXQT-UHFFFAOYSA-N	00001000100010101100000000000010000000000000000000000000	31-01-153445
C[C@@H](c1sc2c(c1C)CN(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1CCCCC1	PC-id_145962892	509.789	IXWPTXJYKLVSEF-HSZRJFAPSA-N	00000000100010101100000000000010000000000000000000000000	31-01-153446
Clc1c(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)cccc1	PC-id_3297040	509.983	NUEUQHIWKJRLJF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153447
Clc1cc(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)ccc1	PC-id_3532960	509.983	DQIKLOIUTGJSLY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153448
Clc1ccc(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)cc1	PC-id_4357910	509.983	LDYNGHJXEZYEGQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153449
CC(C)c1ccc2-c(c(cc2CCCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)O)cc1	PC-id_44292032,CHEMBL1206700	510.023	YJAFMBFVUAJZOK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153450
CC(C)c1ccc2-c(c(cc2CCCCCS(=O)(=O)Nc2ccc(Cl)cc2)S(=O)(=O)O)cc1	PC-id_44291594,CHEMBL1205044	510.066	LJCIQORSIANVMT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153451
Clc1ccc(CS(=O)(=O)NCCCCc2c3-c(c(S(=O)(=O)O)c2)ccc(C(C)C)cc3)cc1	PC-id_9871698	510.066	PBBZJESGWSZRTG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153452
Clc1ccc(S(=O)(=O)NC(CCCc2c3-c(c(S(=O)(=O)O)c2)ccc(C(C)C)cc3)C)cc1	PC-id_57084730	510.066	QKAYEBASEDISKD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153453
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1F	PC-id_20175706	510.087	GIPLCSIHWXMCPE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153454
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1F	PC-id_20175699	510.087	JLGGXFNNEITHDX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153455
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc(F)c1	PC-id_20168683	510.087	LNKFTRTUTRVDDJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153456
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc(F)c1	PC-id_20168676	510.087	PCDVVQXDGVHPKY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153457
CCOC(=O)C1=CC(=C)C=C(C2=C1SC=C2COC3=CC(=CC(=C3)OCC4=CC=CC=C4F)C)Cl	PC-id_147385745	510.107	DLWAIKJKDGNCNW-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-153458
C[C@H]1C[C@H](CC(=O)OC(C/C(=C/C=CC(=O)O[C@@H](CC2=NC1=CS2)/C=C(C)/Br)/C)C)N	PC-id_153173075	510.119	WEPPTKNRWKRORY-SJXOMZOVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153459
CN1C=C(C=N1)/C=C/C(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_149307240	510.228	XXXIXBKMJKJFIT-VOTSOKGWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153460
n12CCCCCc1[n+](CC(=O)c1ccc(Br)cc1)c(COc1c(Cl)cc(Cl)cc1)n2	ZINC22_2597803,PC-id_4157854,MCULE-1830607411	510.231	RUZVLASUKJCZMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153461
[n+]1(CC(=O)c2ccc(Br)cc2)c2CCCCCn2c(COc2ccc(cc2Cl)Cl)n1	ZINC22_2684313,MCULE-5860517158,PC-id_4479487,CoCoCo_5792457	510.231	CPFKPXDYRIHACX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153462
CCC(C)C1CC(=O)c2c(nc(n2Cc2cc3c(cc2C)OCO3)N[C@@H]2CCCC2=O)N(C1=O)CCO	PC-id_163763280	510.248	MABNEJAMKRZCRT-XUJQIHCRSA-N	00000010100000100101000000001010000000000000000000000000	31-01-153463
Clc1ccc(C(=O)C[n+]2nc(n3c2CCCCC3)CNc2ccc(Cl)cc2)cc1.[Br-]	CHEMBL1548608	510.254	SHQIDGRNOSPLQF-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-153464
CC1=CC2=C(S1)C(=CN(CC2(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4)C(=O)OC(C)C	PC-id_161579498	510.255	VBVSQHXOIWQHRR-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-153465
CC1=CC2=C(S1)C(CN(C=C2C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4)(C)C	PC-id_161579499	510.255	MGPKXGDJDVQYNL-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-153466
CC1=CSC2=C1C(=CN(CC2(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4)C(=O)OC(C)C	PC-id_161579500	510.255	DMXFZGNCKNFBQN-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-153467
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)N(N=C4)CCCC(F)(F)F	PC-id_162136302	510.264	ZJIJNNFACZYSSV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153468
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=CN(N=C4CC3)CCCC(F)(F)F	PC-id_160374783	510.264	QCCRNLHQFOIGMU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153469
C[C@H]1C(=O)N[C@@H](C2=NC(=NN2CCN(CCCC(=O)N1C)C(=O)C3=NN4C=CC=NC4=N3)C)CC(C)C	PC-id_165425286	510.282	IEVNHFUZHRMSOL-FUHWJXTLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-153470
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3=CC=C(C=C3)C(=O)N4CCCCC4	PC-id_149346679	510.284	YFFBVOXJUQEGCL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153471
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=CC(=C3)C(=O)N4CCCC4	PC-id_155171366	510.284	NDRATVQSVXDTBP-HXUWFJFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-153472
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)C(=O)N4CCCC4	PC-id_155171380	510.284	CSNBUQHSHHTWOR-HXUWFJFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-153473
CC1=CC(=C(C(=O)C1)CN2CCCC3=C(C2=O)C(=C(S3)C(C)C4CCC(CC4)N5CC(C5)OC)C)C	PC-id_161448467	510.292	WAFBGDKXGFUILC-UHFFFAOYSA-N	00001000100011000100100000000010000000000000000000000000	31-01-153474
CC1=CC(=C(C(=O)C1)CN2CCCC3=C(C2=O)C(=C(S3)[C@H](C)C4CCC(CC4)N5CC(C5)OC)C)C	PC-id_161448466	510.292	WAFBGDKXGFUILC-RDABAPPSSA-N	00001000100011000100100000000010000000000000000000000000	31-01-153475
CCC1=CC(=[I]N1CC(=O)N1CCc2c(CC1)ccs2)c1ccc(c(c1)C)F	PC-id_145587869	510.407	CZAZFNFLXZFGML-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-153476
CCN1N[C@@H](CNc2c(C1=O)n(Cc1cc(Br)c3c(c1)CCO3)c(n2)C)Cc1ccccc1	PC-id_142218505	510.426	NYTRSXXTSKIOAI-HXUWFJFHSA-N	00000010100000110101000000001010000000000000000000000000	31-01-153477
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)nc2)ccc1Cl	PC-id_20178966	510.46	FWSHLOQMAHVWAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153478
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)nc2)ccc(Cl)c1	PC-id_20179060	510.46	MGYQLRYFPWZFJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153479
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)nc2)c(Cl)ccc1	PC-id_20179428	510.46	GEEYLXJJBPKKHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153480
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCP(=O)(OCC)OCC	SCHEMBL6876415,PC-id_88054794	510.474	FZBXDOYTHDQQBG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-153481
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(P(=O)(OCC)OCC)OC	SCHEMBL6876410,PC-id_23296728	510.474	GVNBOJZRYUNNMX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-153482
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1Cl	PC-id_22194737	510.476	FQHYPJPUKCONNE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153483
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_22198828	510.476	FIFUSUQRRKSSGX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153484
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_22194840	510.476	XUMUFJBRIJHICS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153485
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(Cl)ccc1	PC-id_22195567	510.476	UMEVZKMXSVWGJV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153486
Clc1cc(N2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1Cl	PC-id_22198737	510.476	IRPLYVMZMXCTTK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153487
CCN(CCn1c(/C=C/2C(=O)Nc3c2cc(F)cc3)c(c2c1COC(=O)/C(=CC(=O)O2)/C(=O)N)C)CC	PC-id_141495217	510.514	OYXHTMNGXVONMI-WHYMJUELSA-N	00000010100000100111000000001010000000000000000000000000	31-01-153488
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OCC	PC-id_19649285	510.516	INBUKTDEMJDGIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153489
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OC	PC-id_19649278	510.516	SOWPCONKNBZPMA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153490
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1ccco1	PC-id_141350340	510.534	SUTYVJSEBOSYNK-UHFFFAOYSA-N	00000010101000000110000000000010000000000000000000000000	31-01-153491
CCOC(=O)c1c(C#Cc2ccc3-c(cc2)c(c(c3C(=O)OCC)N)C(=O)OCC)nc2-c1ccccc2	PC-id_102206127	510.537	WBSBPHQLOXJNAK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-153492
O=C1C(CCn2c(N1C)cc(n2)/C=C/CN1CCC(C1)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367361	510.539	WEDDJOYLPQCRES-VMPITWQZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-153493
CCC1=CNc2c(cc[nH]2)C(=Nc2c(ccc(c2)S(=O)(=O)NC)N2CCN(CC2)CC(F)(F)F)C1	PC-id_137117890	510.576	FMPPIBDWMTXMSB-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-153494
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)c1noc(c1)c1ccccc1)nn2)C	PC-id_134829004	510.585	OTLDJGWJOSKWLS-KHCICDEESA-N	00000000100000110101100000000010000000000000000000000000	31-01-153495
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1noc(c1)c1ccccc1	PC-id_75036149	510.585	DZRIWTKXHLXUTO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153496
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCC)CCCC	SCHEMBL9335589,PC-id_19102887	510.666	OFQYQAYNTPWLAR-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-153548
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1noc(c1)c1ccccc1	CHEBI:95635,PC-id_44484513	510.585	XYWPMUCHOREPKK-IMWIBFENSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153497
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1noc(c1)c1ccccc1	CHEBI:95649,PC-id_44486955	510.585	XYWPMUCHOREPKK-KHCICDEESA-N	00000000100000110101100000000010000000000000000000000000	31-01-153498
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1noc(c1)c1ccccc1	CHEBI:95923,PC-id_44488687	510.585	XYWPMUCHOREPKK-GLDPYIMESA-N	00000000100000110101100000000010000000000000000000000000	31-01-153499
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1noc(c1)c1ccccc1	CHEBI:96212,PC-id_44486349	510.585	XYWPMUCHOREPKK-XLNZFTOWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153500
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1noc(c1)c1ccccc1	CHEBI:96445,PC-id_44485745	510.585	XYWPMUCHOREPKK-YDIMBITNSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153501
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1noc(c1)c1ccccc1	PC-id_44485055,CHEBI:96260	510.585	XYWPMUCHOREPKK-IECBHUPTSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153502
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1noc(c1)c1ccccc1	PC-id_44486951,SCHEMBL17487104,CHEBI:96347	510.585	XYWPMUCHOREPKK-JXQFQVJHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153503
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)c1noc(c1)c1ccccc1	PC-id_44487409,CHEBI:96266	510.585	XYWPMUCHOREPKK-AXHZCLLHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153504
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1noc(c1)c1ccccc1	CHEBI:112629,PC-id_44505981	510.585	DZRIWTKXHLXUTO-AXHZCLLHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153505
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1noc(c1)c1ccccc1	CHEBI:112639,PC-id_44504977	510.585	DZRIWTKXHLXUTO-IMWIBFENSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153506
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1noc(c1)c1ccccc1	CHEBI:112644,PC-id_44504969	510.585	DZRIWTKXHLXUTO-JXQFQVJHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153507
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1noc(c1)c1ccccc1	CHEBI:96058,PC-id_44505383	510.585	DZRIWTKXHLXUTO-XLNZFTOWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153508
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1noc(c1)c1ccccc1	CHEBI:96451,PC-id_44505387	510.585	DZRIWTKXHLXUTO-IECBHUPTSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153509
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1noc(c1)c1ccccc1	PC-id_44504974,CHEBI:112585	510.585	DZRIWTKXHLXUTO-GLDPYIMESA-N	00000000100000110101100000000010000000000000000000000000	31-01-153510
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1noc(c1)c1ccccc1	PC-id_44505975,CHEBI:97025	510.585	DZRIWTKXHLXUTO-KHCICDEESA-N	00000000100000110101100000000010000000000000000000000000	31-01-153511
CCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCC)CCC	SCHEMBL9339132,PC-id_19102883	510.666	LPTQDEVOFBHRMT-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-153549
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)c1noc(c1)c1ccccc1	PC-id_44505980,CHEBI:96950	510.585	DZRIWTKXHLXUTO-YDIMBITNSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153512
COc1cc(ccc1F)C(=C)N=C(c1ccc(cc1)F)N(CC(=O)N1CCc2c(CC1)nc(s2)C)C	PC-id_145589099	510.599	CRKKBPLARLKOHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153513
COc1cc(ccc1F)C(=NC(=C)c1ccc(cc1)F)N(CC(=O)N1CCc2c(CC1)nc(s2)C)C	PC-id_145588846	510.599	SJSWFCYTQRPSQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153514
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1)C(=O)NC(=O)OCC	PC-id_41274581	510.599	AQWMCWXKNVTKLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153515
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(c1cnc(cc1)N(C)Cc1c(cc(cc1)OC)OC)O	PC-id_91255747	510.605	UNJOYURMYSGECB-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-153516
O=C(Cc1ccnc(c1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671937	510.615	BISNIVSESYJCCJ-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153517
O=C(Cc1ccnc(c1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21042362	510.615	BISNIVSESYJCCJ-KESTWPANSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153518
CCc1cccc(c1)CNC[C@H]([C@@H](NC(=O)c1c(C)nn2c1CCCCC2)Cc1cc(F)cc(c1)F)O	PC-id_57511760,SCHEMBL3349134	510.619	QHLGNBTYBGZJBN-AHKZPQOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153519
CCc1cccc(c1)CNC[C@@H]([C@@H](NC(=O)c1c(C)nn2c1CCCCC2)Cc1cc(F)cc(c1)F)O	SCHEMBL3349139,PC-id_68607842	510.619	QHLGNBTYBGZJBN-BDYUSTAISA-N	00000000100000110101000000000010000000000000000000000000	31-01-153520
Fc1cc(CC(NC(=O)c2c3n(nc2C)CCCCC3)C(O)CNCc2cc(CC)ccc2)cc(F)c1	PC-id_21086610	510.619	QHLGNBTYBGZJBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153521
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(cc1)OCCCN1CCOCC1)C	SCHEMBL19702833	510.625	UWRYLQADXMHPLM-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153522
S(=O)(=O)(N1CCc2c1cccc2)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_23964999	510.625	XEOLJXXGQBZBLZ-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-153523
C1CN(CCN1CC)C(=O)CCN(CCOC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	MCULE-3017319398,EMOLS-id_25387958,PC-id_46049627	510.628	CTGGSCMGLKVNQT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153524
COCCN(CCC(=O)NCCN1CCCC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25387442,PC-id_46049923,MCULE-2539001585	510.628	MRHAOJQBILZIIB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-153525
O1CCN(CC1)CCNC(=O)CCN(C(=O)c1nn2CCCN(Cc3c(cccc3)C)C(=O)c2c1)CC	PC-id_42855135	510.628	WZIJBRUVFLBALQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153526
O1CCN(CC1)CCNC(=O)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)CC	PC-id_42855085	510.628	VFQJZIOTYUUJCJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153527
O1CCN(CC1)CCNC(=O)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)CC	PC-id_42855110	510.628	PXPVBYYRULRWLG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153528
CN(C)c1cccc(c1)NCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CCOc1ccccc1	PC-id_134804891	510.63	JPDCVNHNTNHUTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153529
c1(c2CCCCCc2sc1NCc1ccc(c(OC)c1OC)OC)C(=O)Nc1ccc(cc1)OCC	CoCoCo_2720544,EMOLS-id_16406294,PC-id_3601606,MCULE-5395179744	510.645	ATVKZVITJRICPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153530
c1(c2CCCCCc2sc1NCc1ccc(c(OC)c1OC)OC)C(=O)Nc1ccccc1OCC	EMOLS-id_9920573,CoCoCo_2720549,MCULE-6958397194,PC-id_4417485	510.645	KAXWRKOZSMPDLZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153531
CCOC(=O)c1c(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)sc2CCCCCCCCCCc12	PC-id_11835743,EMOLS-id_8214121,SPECS-id_AG-205/11187118,MCULE-9348592309	510.645	MDDOJFUZMRZPNK-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-153532
CCOC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CCCCCCCCCC2	CoCoCo_6884300,PC-id_9516623,ZINC22_8405388	510.645	MDDOJFUZMRZPNK-GOSISDBHSA-N	00000010100000100100000000001010000000000000000000000000	31-01-153533
CCOC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)sc2c1CCCCCCCCCC2	PC-id_9516625,CoCoCo_6884301,ZINC22_8405390	510.645	MDDOJFUZMRZPNK-SFHVURJKSA-N	00000010100000100100000000001010000000000000000000000000	31-01-153534
Cc1ncc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)F)sc4CC3)CC2)s1	SCHEMBL21041080,BindingDB-id_989469	510.663	FNMHRIVKENCKLK-IGGCZAQCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153535
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)/C=C/c1cnc(s1)C)F	PC-id_138670735	510.663	FNMHRIVKENCKLK-VOTSOKGWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153536
CC1CC(=CC=CC(=O)OC(Cc2nc(co2)CCCCC(=O)O1)C=C(C)C=CC(=CCN(C)C)C)C	PC-id_91220432	510.665	FJNMHFWYUABFDY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153537
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CC(C)OC(=O)CCCCc2nc(C1)oc2)/C)C)C	SCHEMBL12845089	510.665	FJNMHFWYUABFDY-UKDZDYBVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153538
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CCCCc2nc(C1)oc2)/C)C)C	SCHEMBL12779278	510.665	FJNMHFWYUABFDY-BNESPNMISA-N	00000000100000000111000000000010000000000000000000000000	31-01-153539
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CCCCc2nc(C1)oc2)/C)C)C	SCHEMBL13297148	510.665	FJNMHFWYUABFDY-MMPYLIGOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153540
O1C(C/C(=C/C=CC(=O)OC(Cc2occ(n2)CCCCC1=O)/C=C(/C=C/C(=C/CN(C)C)/C)C)/C)C	PC-id_58885298	510.665	FJNMHFWYUABFDY-OWDFZKTMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153541
O1[C@H](C/C(=C/C=CC(=O)OC(Cc2occ(n2)CCCCC1=O)/C=C(/C=C/C(=C/CN(C)C)/C)C)/C)C	PC-id_10128407	510.665	FJNMHFWYUABFDY-XRZAUCBJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153542
O1[C@H](CC(=CC=CC(=O)OC(Cc2occ(n2)CCCCC1=O)/C=C(/C=C/C(=C/CN(C)C)/C)C)C)C	PC-id_15966630	510.665	FJNMHFWYUABFDY-QLZQZIIYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153543
O1[C@@H](CC(=CC=CC(=O)OC(Cc2occ(n2)CCCCC1=O)/C=C(/C=C/C(=C/CN(C)C)/C)C)C)C	PC-id_21456285	510.665	FJNMHFWYUABFDY-LTVVAOFOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153544
O1[C@H](C/C(=C/C=CC(=O)O[C@@H](Cc2occ(n2)CCCCC1=O)/C=C(/C=C/C(=C/CN(C)C)/C)C)/C)C	PC-id_58885289	510.665	FJNMHFWYUABFDY-WFXAWJRDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153545
C(c1c2-c(c(c1)/C=C/c1c3-c(cc1)ccccc3)ccccc2)(c1c2-c(cc1)ccccc2)Cc1ccccc1	PC-id_11249223	510.666	GBWLNKDUQOPHIL-WCWDXBQESA-N	00000010100000110110000000000010000000000000000000000000	31-01-153546
O(C[C@@H](O)[C@@H]1NCCCCCCCc2n(nnc2)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_57338574	510.67	QFZKKLLDFPGINP-FIRIVFDPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153550
O(CC(O)C1NCCCCCCCc2n(nnc2)C1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_76515711	510.67	QFZKKLLDFPGINP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153551
CCC(C)N(CCC(=O)NCCN(CC)CC)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25387282,PC-id_46049651,MCULE-5882442627	510.671	QKFPQXOEVUUYIZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153552
CC[C@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NCCN(CC)CC)C	PC-id_93332228	510.671	QKFPQXOEVUUYIZ-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153553
CC[C@@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NCCN(CC)CC)C	PC-id_93332229	510.671	QKFPQXOEVUUYIZ-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153554
O=C1N(CCCn2nc(cc12)C(=O)N(CC(C)C)CCC(=O)NCCN(CC)CC)Cc1ccccc1	PC-id_46159905	510.671	DOQCWBPNWJFCRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153555
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC=C)C(=O)OCC	PC-id_19729947	510.671	MAKINTFLRITYCR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153556
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC=C)C(=O)OCC	PC-id_19730132	510.671	XXIZLTZAVHCBJR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153557
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC=C)C(=O)OCC	PC-id_19730320	510.671	FCDKAGXLMAXQDT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153558
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC=C)C(=O)OCC	PC-id_20123714	510.671	MWJCQZNXGCWQKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153559
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC=C)C(=O)OC	PC-id_20124572	510.671	UWLHJEFABFURIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153560
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(cccc1)C)CC=C)C(=O)OC	PC-id_19729896	510.671	NAAZQMQXINTSIB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153561
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(ccc1)C)CC=C)C(=O)OC	PC-id_19730088	510.671	LXFJDKKTKMIBAX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153562
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(cc1)C)CC=C)C(=O)OC	PC-id_19730279	510.671	BQZHUZJCZWERPV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153563
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccccc1)CC=C)C(=O)OC	PC-id_20123646	510.671	FXWSQBMQWKDLSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153564
CCCCCOc1ccc(cc1)c1ccc(cc1)OCCCCCCOC1COc2c(OC1)csc2	SCHEMBL13701400,PC-id_57838385	510.685	BGJHKUSHKPAWOB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153565
CCOC(CN(C1CCC(CC1)CCC(=O)OC)C(=O)Nc1nc2c(s1)CCN(CC2)C)OCC	PC-id_88932088	510.69	QLBQJJNCKURSSK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153566
CCOC(CN(C(=O)Nc1nc2c(s1)CCN(CC2)C)[C@@H]1CC[C@H](CC1)CCC(=O)OC)OCC	SCHEMBL12532901	510.69	QLBQJJNCKURSSK-WGSAOQKQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153567
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)C(CC)CC)nn1)C(=O)OCC	PC-id_23962591	510.693	HDUYMYWPCNCMBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153569
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)C(C)(C)C)nn1)C)C(=O)OCC	PC-id_23762268	510.693	SGUPKSVUHUQRDC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153570
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CCCC)nn1)C)C(=O)OCC	PC-id_23763516	510.693	CFWNPVZMXOCFII-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153571
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CC(C)C)nn1)C)C(=O)OCC	PC-id_24078416	510.693	AVHRXIUDWRMYGP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153572
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(cccc1)C)C)C(=O)OCC	PC-id_19676956	510.714	NXTPNMISOPTELK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153573
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccc(cc1)C)C)C(=O)OCC	PC-id_19679469	510.714	HRYDCURZPWPJAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153574
CNC1CN(C1)C1CCC(CC1)C(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	PC-id_139563615,SCHEMBL21441695	510.734	HMBYRQSHYKHCKR-UHFFFAOYSA-N	00001000100010101100100000000010000000000000000000000000	31-01-153575
Cc1ccc(cc2-c1c(Cc1ccc(cc1)/C=C/c1cc(c3-c1c(C)ccc(c3)C(C)C)C)cc2C)C(C)C	PC-id_101874218	510.751	VRTVPDKKTVVZLG-OBGWFSINSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153576
CCOC(=O)C1=CCN(C(=O)c2c1cc(n2COCC[Si](C)(C)C)CO)COCC[Si](C)(C)C	PC-id_70205260,SCHEMBL7844578	510.771	UDCGYQYIMJUXLF-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-153577
CCOC(=O)C(C1=CCN(C(=O)c2c1ccn2COCC[Si](C)(C)C)COCC[Si](C)(C)C)O	SCHEMBL7844574,PC-id_11092444	510.771	VHWVWMRPPQPZFU-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-153578
N#CC1CNCCN1C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700425	510.897	DBCHJCSNFWVCFC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153579
N#CC1NCCN(C1)C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700421	510.897	SGHHJDDIDSRLAY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153580
CC1CCc2c(C(=O)NC1=O)n(cc2)CC(=O)Nc1nc(cs1)c1cc(c(cc1)Cl)C(F)(F)F	PC-id_91074072	510.917	WGEFBXYJJSJDOI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153581
COc1c(ccc(c1)Cl)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)CC1CCOCC1	PC-id_134804897	511.012	SXTIMKGGDBGECL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153582
Clc1cc2sc(S(=O)(=O)N3CCN(C(=O)C3)Cc3sc4CCCNC(=O)c4n3)cc2cc1	SCHEMBL1386684,PC-id_67014836	511.037	BZGZPQUEOZHRFI-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-153583
Clc1cc2sc(S(=O)(=O)N3CCN(C(=O)C3)Cc3sc4c(n3)C(=O)CCNC4)cc2cc1	PC-id_9871002	511.037	KGHQBEHPFUPMCW-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-153584
Clc1ccc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_16924078	511.054	PBTQQCLPLWRPPY-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-153585
Clc1ccc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_16861655	511.054	FMUHVZWUKNSAGZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-153586
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc(S(=O)(=O)N2CCCCC2)cc1	PC-id_16509468	511.054	DDTFCDKOUHHTOV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-153587
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CNC(=O)OC)cc1	PC-id_72246285	511.057	ICUJPXMXVXBTDR-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153588
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)COC(=O)NC)cc1	SCHEMBL3313564,PC-id_68592309	511.057	YEIMVAIOMSWGOM-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153589
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)C(=O)N(OC)C)cc1	PC-id_72246277	511.057	PUOMANFCDQGXJW-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153590
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(C(OC)CN(CC3)C)c2)C(=O)NC)cc1	PC-id_72246301	511.057	OXPMDKRRNXCVKI-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153591
Clc1sc(C(=O)NC2CC(NC2)C(OC(=O)NC)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_68592312,SCHEMBL3313568	511.057	NBWZWCPRWZAHIM-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153592
Clc1sc(C(=O)NC2CC(OC(=O)N(C)C)N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_77947794	511.057	KPOMWECDNMCAOT-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153593
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CNC(=O)OC)cc1	PC-id_59285206,SCHEMBL13395189	511.057	ICUJPXMXVXBTDR-CABCVRRESA-N	00000010100100000100000000000010000000000000000000000000	31-01-153594
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)COC(=O)NC)cc1	SCHEMBL3308508,PC-id_59285239	511.057	YEIMVAIOMSWGOM-CABCVRRESA-N	00000010100100000100000000000010000000000000000000000000	31-01-153595
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)C(=O)N(OC)C)cc1	PC-id_59285184,SCHEMBL13394965	511.057	PUOMANFCDQGXJW-CABCVRRESA-N	00000010100100000100000000000010000000000000000000000000	31-01-153596
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c([C@H](OC)CN(CC3)C)c2)C(=O)NC)cc1	PC-id_59285243,SCHEMBL3310218	511.057	OXPMDKRRNXCVKI-VHDGCEQUSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153597
Clc1sc(C(=O)N[C@@H]2C[C@H](OC(=O)N(C)C)N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	SCHEMBL13372937,PC-id_70893755	511.057	KPOMWECDNMCAOT-KUHUBIRLSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153598
Clc1sc(OC(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CNC(=O)C)cc1	PC-id_77593567	511.057	XSJMKOILJJHEGO-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153599
Clc1sc(OC(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CNC(=O)C)cc1	PC-id_69040636,SCHEMBL4429994	511.057	XSJMKOILJJHEGO-CVEARBPZSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153600
c1(c(Cl)c(nn1C)C)C(=O)NC(=S)Nc1sc2c(CCCCCCCCCC2)c1C(=O)OC	MCULE-8230674906,PC-id_1763699,SPECS-id_AK-968/41024533,CoCoCo_5837339,ZINC22_2108534,EMOLS-id_4177509,TIMTEC260504	511.1	KGFVNGYXXNHONZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153601
C1CC(CCC1CCN2CCC3=C(CC2)SC(=N3)OCC(F)(F)F)CC(=O)COC4=CN=CC=C4	PC-id_161102303	511.212	UIPBOKLXKLJZRR-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153602
CC1=C(C=CC=C1F)C(=O)NC2CCC(OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F	PC-id_148373629	511.212	LMTZTESHSHMVNE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153603
CC1=NC=CC(=C1)CC(=O)C[C@H]2CC[C@@H](OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160873117	511.212	SMACZEPEHIBSTD-TZIWHRDSSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153604
CN1C(=O)C=CC=C1C(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_161140447	511.212	YDABNFQQKPIKNS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153605
CC1=NSC2=C1C(=CN(CC2(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4)C(=O)OC(C)C	PC-id_160570005	511.25	CICKPEDJRFVAEO-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153606
CC1=NSC2=C1C(CN(C=C2C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4)(C)C	PC-id_161503674	511.25	BKLKXKILJQBTDN-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153607
CCOC1CN(C1)C2CCC(CC2)N(C)C3=C(C4=C(S3)CCCN(C4=O)CC5=CC=C(CC5=O)C)C	PC-id_160685266	511.287	RORHNDCCBBGOEZ-UHFFFAOYSA-N	00001000100011000100100000000010000000000000000000000000	31-01-153608
Brc1c(F)c(F)c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)c(F)c1F	PC-id_20170517	511.352	YCZUQDMATCVIRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153609
CC(c1ccccc1)NC(=O)c1c2CCCCC(=Cc3ccc(cc3)CI)c2n[nH]1	PC-id_89362377	511.398	JMTGYSWLRFTLPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153610
ICc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2C(=O)N[C@@H](c1ccccc1)C	SCHEMBL14538326	511.398	JMTGYSWLRFTLPN-WNSCPLKPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153611
ICc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2C(=O)N[C@H](c1ccccc1)C	SCHEMBL14538327	511.398	JMTGYSWLRFTLPN-LBSLPOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153612
Br/C(=C/C1OC(=O)C=CC=C(C[C@@H](OC(=O)CC(N)C[C@@H](c2nc(sc2)C1)C)C)C)/C	PC-id_58902903	511.472	WEPPTKNRWKRORY-RSDKOASPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153613
BrC(=CC1OC(=O)C=CC=C(CC(OC(=O)CC(N)CC(c2nc(sc2)C1)C)C)C)C	PC-id_72803661	511.472	WEPPTKNRWKRORY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153614
Br/C(=C/[C@H]1OC(=O)C=CC=C(C[C@@H](OC(=O)C[C@H](N)C[C@@H](c2nc(sc2)C1)C)C)C)/C	PC-id_11329690	511.472	WEPPTKNRWKRORY-IFSUPFKYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153615
Br/C(=C/[C@H]1OC(=O)C=CC=C(C[C@H](OC(=O)C[C@H](N)C[C@@H](c2nc(sc2)C1)C)C)C)/C	PC-id_21457495	511.472	WEPPTKNRWKRORY-VNKSCMAXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153616
C/C(=CC1OC(=O)/C=CC=C(/C)CC(C)OC(=O)C[C@@H](C[C@@H](c2nc(C1)sc2)C)N)/Br	SCHEMBL12845114	511.472	WEPPTKNRWKRORY-ICIPEXCMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153617
C/C(=CC1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CC(C[C@@H](c2nc(C1)sc2)C)N)/Br	SCHEMBL13297162	511.472	WEPPTKNRWKRORY-XRWLKWJISA-N	00000000100000000111000000000010000000000000000000000000	31-01-153618
C/C(=C[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CC(CC(c2nc(C1)sc2)C)N)/Br	SCHEMBL14498812	511.472	WEPPTKNRWKRORY-VMDYEAQSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153619
C/C(=C[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)C[C@@H](CC(c2nc(C1)sc2)C)N)/Br	SCHEMBL14510938	511.472	WEPPTKNRWKRORY-YJMFHAIASA-N	00000000100000000111000000000010000000000000000000000000	31-01-153620
C/C(=C[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)C[C@@H](C[C@@H](c2nc(C1)sc2)C)N)/Br	SCHEMBL12779303	511.472	WEPPTKNRWKRORY-IQJYKIAOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153621
Brc1ccc(CC(=O)Nc2sc3CCCCCCc3c2C(=O)NCc2ccccc2)cc1	ZINC22_20522670,MCULE-3424665286,GD-id_ZINC20522670,PC-id_4513696,EMOLS-id_4177611,CoCoCo_6798029,TIMTEC279215	511.474	LBAAZWWRDGLYJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153622
CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br	ZINC22_408973555	511.474	YVBDZNPGXKTHDV-OGLMXYFKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153623
Cc1nn(c(c1)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)C(F)F)F)C)C	SCHEMBL18353489	511.517	QNFHALQWKVBURS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153624
CCCN(CC(=O)c1cc(c2-c1ccccc2)C(=O)OC)CC(=O)c1cc(c2-c1ccccc2)C(=O)OC	PC-id_101134813	511.565	CICVXTYCWKYJSS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-153625
CCN(CC)CCN1CCCc2c(C1=O)c(c([nH]2)C=C1c2cc(c(cc2NC1=O)NC(=O)C(C)O)F)C	SCHEMBL3135034,PC-id_89256032	511.588	DOCRFDREPXUWKB-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-153626
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)c(c2)NC(=O)[C@@H](O)C)CC	SCHEMBL13415483,PC-id_59250057	511.588	DOCRFDREPXUWKB-CQUHBBLWSA-N	00000010100000100100000000001010000000000000000000000000	31-01-153627
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(F)c(c2)NC(=O)[C@@H](O)C)CC	SCHEMBL14136725,PC-id_71080289	511.588	DOCRFDREPXUWKB-INIZCTEOSA-N	00000010100000100100000000001010000000000000000000000000	31-01-153628
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)c(c2)NC(=O)C(O)C)CC	SCHEMBL3135021,PC-id_25114047	511.588	DOCRFDREPXUWKB-AQTBWJFISA-N	00000010100000100100000000001010000000000000000000000000	31-01-153629
COCC(=O)Nc1cc2NC(=O)C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN(CC)CC)c2cc1F	PC-id_68526325,SCHEMBL3140328	511.588	YYPPERMMPQQPQF-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-153630
COCC(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN(CC)CC)/c2cc1F	SCHEMBL3140324,PC-id_25114046	511.588	YYPPERMMPQQPQF-AQTBWJFISA-N	00000010100000100100000000001010000000000000000000000000	31-01-153631
Cn1ccc(n1)NC(=O)c1cc(cc(c1)O[C@@H]1COCC1)Oc1nc2c(s1)C(=O)N(CC(C2)(C)C)C	SCHEMBL2074109,PC-id_58168647	511.593	NNKSKAWAUYSXRV-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-153632
s1c2CC(CN(C(=O)c2nc1Oc1cc(OC2CCOC2)cc(c1)C(=O)Nc1nn(cc1)C)C)(C)C	PC-id_73205042	511.593	FCFPSJVLWBRACS-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-153633
s1c2CC(CN(C(=O)c2nc1Oc1cc(O[C@H]2CCOC2)cc(c1)C(=O)Nc1nn(cc1)C)C)(C)C	PC-id_15953246	511.593	FCFPSJVLWBRACS-INIZCTEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-153634
s1c2c(nc1Oc1cc(OC3CCOC3)cc(c1)C(=O)Nc1nn(cc1)C)CC(CN(C2=O)C)(C)C	PC-id_76692413	511.593	NNKSKAWAUYSXRV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-153635
Cn1cc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1	BindingDB-id_989434,SCHEMBL21041541	511.603	WORJIMKQVUMSKB-AJJNSDSGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153636
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)/C=C/c1cnn(c1)C	PC-id_138671170	511.603	WORJIMKQVUMSKB-QPJJXVBHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153637
C/C=CC(=C/CC=C)COC1=Cc2c(CC=C1)[nH]c(c2)C(=O)c1cc2c([nH]1)ccc(c2)NC(=O)OC(C)C	PC-id_137516943,SCHEMBL20762590	511.611	LPFAXFAGGJSJQX-BZEDYHQXSA-N	00000000100000100110000001100010000000000000000000000000	31-01-153638
CC(C)C[C@@H]1[C@@H](CC(=O)OCc2ccccc2)Cc2cn(CCCNC(=O)CC[C@H](NC1=O)C=O)nn2	BindingDB-id_1033984	511.613	IXXLXNJLKKRERL-AOHZBQACSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153639
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1OC	PC-id_2374712,MCULE-8401025567,CoCoCo_3706243,EMOLS-id_48960570,ZINC22_6146437	511.613	URCUXRRHOSNADX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153640
CCC1c2nnc(o2)[C@@H](NC(=O)NC(=O)[C@@H](NC(=O)CN(C(=C)N1C)C)CC(C)C)Cc1ccccc1	SCHEMBL18652946	511.616	NNACLRWTQVQEOO-AHTKWCMKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153641
CCC1=C(N=c2c(=C(C1)Oc1cccc(c1)NC(=O)C=C)cc[nH]2)Nc1cnc(cc1)N1CCN(CC1)C	PC-id_137068311	511.618	NNGFCRXSFGEURN-UHFFFAOYSA-N	00000000100010111111100000000010000000000000000000000000	31-01-153642
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)c1cc(ccc1)C(F)(F)F)C(=O)OCC	PC-id_19654997	511.623	BVBXKCORBVECPZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153643
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_19654990	511.623	BYLXQGYMDZGULL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153644
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1CNC2(C1=CC(=C(C2)NC(=O)C(=O)C)F)C)CC	PC-id_145511738	511.631	TVTNAQBRGDNBFT-CPNJWEJPSA-N	00000010100011000100000000000110000000000000000000000000	31-01-153645
Cc1c2c(n[nH]1)C(=CN(CC2(C)C)C(=O)c1ccc(cc1)OCC[N+]1(CCOCC1)C)C(=O)OC(C)C	TT-id_D0K3UO,SCHEMBL20110122,PC-id_134472051	511.633	BFMZLOKFIVIHGO-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153646
COc1ccc(cc1)CN1CCCN(c2c1scc2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1C	PC-id_139709945	511.635	HVYBGNRJZQNXCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153647
COc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCN(c2c1ccs2)Cc1ccccc1	PC-id_139709961	511.635	DRTLBBPTRFOHLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153648
COc1ccc(c(c1)OC)S(=O)(=O)[N-]/N=C(Nc1sc2c(c1C(=O)OC)CCCCCC2)/[S-]	GD-id_ZINC15919320	511.635	JCYXPDJEDDFZTA-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-153649
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC=C)C#N	PC-id_19640592	511.635	QRIIHQQGQIKCSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153650
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)CC=C)C#N	PC-id_19633736	511.635	GVVCCUCMUASZKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153651
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OC)c1sccc1	PC-id_44004980	511.635	IQRXACZIBBPDBG-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153652
c1(nc(C)c(c(=O)n1CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)CC)n1c(C)cc(C)n1	MCULE-5414037470,CoCoCo_2614666,PC-id_18567048,EMOLS-id_16362905	511.636	HHKPKFTZLAQLRB-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-153653
CCCc1cc(=O)n(c(n1)n1nc(cc1C)C)CC(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2	GD-id_ZINC09325058	511.636	HMPRUGGQRMQFAJ-UHFFFAOYSA-N	00000000100000100101100000000010000000000000000000000000	31-01-153654
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)cnn2CCCC(F)(F)F	PC-id_138670708	511.646	JSCQIFBEIYJADO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153655
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)cn(n2)CCCC(F)(F)F	PC-id_138671189	511.646	FQEXOVPLEWVXKS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153656
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)cnn2CCCC(F)(F)F	SCHEMBL21041052	511.646	JSCQIFBEIYJADO-XUTJKUGGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153657
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)cn(n2)CCCC(F)(F)F	SCHEMBL21041561	511.646	FQEXOVPLEWVXKS-XUTJKUGGSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153658
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccc(F)cc1	PC-id_19688016	511.653	VDDBKAOIAFCCLH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153659
c1(NC(=O)CSc2nc(C)c(c(O)n2)Cc2ccccc2)sc2c(CCCCCC2)c1C(=O)OC	MCULE-5541462445,PC-id_135413865	511.656	JFZHOOIIJIAKQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153660
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C)cc1)C(=O)NC	PC-id_42388428	511.656	QPEAIFCKBGHQJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153661
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1)C(=O)NC	PC-id_42388433	511.656	RMXAAYNOOWTYJC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153662
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c2ccccc2)c(=O)cc(n1)C)C(=O)OCC	PC-id_4260453	511.656	YTBGRHKNGBUXGW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153663
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(C(C)C)c1C#N)C#N)C(=O)OCC	PC-id_23746205	511.659	XIDMJCNSSNTNRP-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-153664
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC)C#N	PC-id_17270969	511.659	DBXMEBNHKORIIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153665
s1c2c(CCCCCC2)c(c1NC(=O)c1sc2nc(N)c(c(C(C)C)c2c1N)C#N)C(=O)OCC	PC-id_23830053	511.659	JIUQEZCCGIEVER-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-153666
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(C(C)C)c1C#N)C#N)C(=O)OC	PC-id_23804431	511.659	QVBQRWUOMXKVHM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-153667
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1c(occ1)C)C#N	PC-id_19725965	511.659	XRSUGNKYXLVONT-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-153668
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(OC)cc1)C#N	PC-id_19633350	511.659	YBWGFCHQOCFJTE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153669
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC)C#N	PC-id_17265439	511.659	AMGYWKYQXIEPOE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153670
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)C)C#N	PC-id_19640099	511.659	CBKOTBUBSYDHIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153671
CC(C)CC1C(=O)NCCCCCC(=O)NCc2nnnn2CCCCCC(=O)N1Cc1ccccc1	PC-id_135035061	511.66	SSQQMDYJOBWONM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153672
CS(C)(C)c1cccc(c1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCC(CC1)C(=O)N	PC-id_89125911	511.703	IUMWHEJUMWBTRX-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153673
NC(=O)C1CCN(CC1)C(=O)c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1cccc(c1)S(C)(C)C	SCHEMBL13591945	511.703	IUMWHEJUMWBTRX-NCYJMUSTSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153674
Cc1ccc(cc2-c1c(C=C1C=CC(=[N+]=Nc3cc(c4-c3c(C)ccc(c4)C(C)C)C)C=C1)cc2C)C(C)C	PC-id_101874216	511.719	CTWJTWBWNJAOGA-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-153675
COC1CN(C1)C1CCC(CC1)C(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL18610790	511.719	AGTKUHSJKOLBGH-UHFFFAOYSA-N	00001000100010101100100000000010000000000000000000000000	31-01-153676
COC1CN(C1)C1CCC(CC1)[C@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL18556177	511.719	AGTKUHSJKOLBGH-JSRJAPPDSA-N	00001000100010101100100000000010000000000000000000000000	31-01-153677
COC1CN(C1)[C@@H]1CCC(CC1)[C@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL21441542	511.719	AGTKUHSJKOLBGH-PSQUCKQXSA-N	00001000100010101100100000000010000000000000000000000000	31-01-153678
COC1CN(C1)[C@@H]1CC[C@H](CC1)C(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL21433200	511.719	AGTKUHSJKOLBGH-GACLLYPNSA-N	00001000100010101100100000000010000000000000000000000000	31-01-153679
COC1CN(C1)[C@@H]1CC[C@H](CC1)[C@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL18556175	511.719	AGTKUHSJKOLBGH-CEMLEFRQSA-N	00001000100010101100100000000010000000000000000000000000	31-01-153680
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC=C)C#N	PC-id_17299902	511.726	ICQYGUNBHOQDMN-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-153681
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC=C)C#N	PC-id_19719500	511.726	AUIJFMZTADTYIA-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-153682
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC=C)C#N	PC-id_19720272	511.726	ALKPQINVUYCIAT-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-153683
COc1ccc(cc1)S(=O)(=O)N1CCc2c([C@H]([C@@H]1C(=O)O)CO[Si](C(C)(C)C)(C)C)ccs2	PC-id_139966481	511.727	QDFLCDOUFUKKJR-TZIWHRDSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153684
O1C(CCCCCCCC)COCCOCCOCC(OCc2nc([nH]n2)C1)CCCCCCCC	PC-id_13905968	511.738	AUPYCDNDKJTPLC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153685
CCC(CN1CCC(CC1)C(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C)(C)C	PC-id_138489577,SCHEMBL20837808	511.762	KNOJDWAIOSZGCC-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-153686
CCC(CN1CCC(CC1)CCc1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)(C)C	SCHEMBL19553800	511.762	JEJXAOUDNIXIKM-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-153687
CCC(CN1CCC(CC1)[C@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C)(C)C	SCHEMBL19564548	511.762	KNOJDWAIOSZGCC-OAQYLSRUSA-N	00000000100010101100000000000010000000000000000000000000	31-01-153688
COC(=O)c1cccc2-c(c1)c(cc2C(=O)c1ccccc1)C(=O)c1ccc(cc1)C(Cl)(Cl)Cl	PC-id_145991065	511.78	NTYZIINUYPYRMH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153689
Fc1ccc(c(c1)Cl)C(=O)Nc1sc2c(c1C(=O)Nc1cc(Cl)ccc1Cl)CCCCC2	GD-id_ZINC20444001	511.824	PLBWVRHFYWZIMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153690
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2C3CNCC2CC3)cc(c1)C(F)(F)F	PC-id_140700430,TT-id_D0B7KP	511.925	WCGZTJWWNLHVHA-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-153691
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CC3C(C2)CCN3)cc(c1)C(F)(F)F	PC-id_140700471	511.925	SZAIBSDPMQRNPA-UHFFFAOYSA-N	00000010100000110101000000000110000000000000000000000000	31-01-153692
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CC3C(C2)CNC3)cc(c1)C(F)(F)F	PC-id_140700480	511.925	DSYBFVRGQKQPDQ-UHFFFAOYSA-N	00000010100000110101000000000110000000000000000000000000	31-01-153693
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CC3CCC(C2)N3)cc(c1)C(F)(F)F	PC-id_140700475	511.925	XJLKRXORVPGZHK-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-153694
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CC3NCC(C2)C3)cc(c1)C(F)(F)F	PC-id_140700458	511.925	BZAIQKZICMAEJS-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-153695
Clc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(O)(C)C)S(=O)(=O)O	PC-id_139605638	512.039	DPUNHMLGYXLLLQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153696
OCC(c1ccc2-c(cc1)c(cc2CCCCN(S(=O)(=O)c1ccccc1)Cl)S(=O)(=O)O)C	PC-id_139605640	512.039	KLDNFOIJLBWXCZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153697
Clc1sc(C(=O)NC2CC(OC(=O)OC)N(C2)C(=O)c2sc3c(C(CN(CC3)C)C)c2)cc1	PC-id_77947775	512.042	OPDAMSMCXCFKPW-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153698
Clc1sc(C(=O)N[C@@H]2C[C@H](OC(=O)OC)N(C2)C(=O)c2sc3c(C(CN(CC3)C)C)c2)cc1	SCHEMBL13372841,PC-id_70893681	512.042	OPDAMSMCXCFKPW-PNBDDGOBSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153699
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cc1	PC-id_17264427	512.09	GJHCNPXIIJIDJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153700
C[C@@H](CC(=O)C1=CN=C2N1CCCCN2)C3=NC=C(S3)C(=O)NC4=NC=C(C(=C4)C(F)(F)F)Cl	PC-id_149202756	512.101	XFAASFXAUICYGT-NSHDSACASA-N	00000000100000101101000000000010000000000000000000000000	31-01-153701
CCCCN(C(=N)c1ccc(cc1)CN1CCN(CC1=O)Sc1cc2c([nH]1)C=C(C=CC2)Cl)CC	PC-id_142132273	512.11	ZTSHARMHMHHROJ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153702
CCN=S1(=O)C2=CN(C(=C2CC[C@@H](N1)C(=C)CCC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)F)F)C	PC-id_154991312	512.206	HODXBFYHJNGJPV-LHTANEHXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153703
CC1=NN=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F	PC-id_148968288	512.209	PTIZREROMVKYRA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153704
COC1=NOC(=C1)CCC(=O)NC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)F	PC-id_165112408	512.227	MPNCNHGPKFXJQG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153705
C1CCC(=NC2=C3C(=CCC=CC2)NC=C3C(=O)C4=C(N=C(C=C4)NC5CCC(CC5)(F)F)F)[C@@H](C1)O	PC-id_153700161	512.24	UOWLKMYGKNSUNG-HSZRJFAPSA-N	00000000100010101110000000000010000000000000000000000000	31-01-153706
CC(CCC1=CC=CC=C1)[C@H]2CCC3=C(N(C=C3S(=NC4CC4)(=O)N2)C)CNC5=CC(=C(C=C5)F)F	PC-id_154991334	512.242	WKQFJUAEXLWCCL-QBNMULFASA-N	00100000100000110101000000000010000000000000000000000000	31-01-153707
CC(COC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)CC4=C(N(N=C4)C)F)(F)F	PC-id_161056338	512.243	UCUNHJRCFSXQSY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153708
CC(COC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)CC4=CN(N=C4F)C)(F)F	PC-id_161834069	512.243	XWWLFQPHDGBNKH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153709
CC(CF)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)C4=CC=CC5=NN(C=C54)C	PC-id_149218848	512.262	XIARCIYEMMMSQS-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-153710
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3=CC=C(C=C3)C(=O)N4CCOCC4	PC-id_155171397	512.263	OZSDDCXCFXSFEP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153711
Brc1ccc(OCn2ncc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)c2)cc1	PC-id_19523828	512.323	KYJDMGQNHMATFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153712
Clc1cc(Cl)cc(c1)S(=O)(=O)c1c([nH]c(c1C)C(=O)N1CCCc2c(C1)ccs2)C(=O)N	PC-id_25186133,SCHEMBL3582717	512.429	CDOMKHULBHHIDE-UHFFFAOYSA-N	00000000110000110100000000000010000000000000000000000000	31-01-153713
Cc1ccc(cc1)C(=O)c1c(C)c(c2-c1ccccc2)Cc1scc(n1)c1ccc(cc1)Br	PC-id_139814858	512.46	JCKWKVZDESXTDC-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-153714
Brc1ccc(cc1)NC(=O)c1sc(c2c1NO/C=CC=CC2)/N=C
/CCCCCCC1=C	PC-id_143185989	512.462	CGZSXZBXPXSBIJ-BUQLOJNCSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153715
Brc1ccc(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3CCCCCc23)cc1	PC-id_1734463,EMOLS-id_2784842,TIMTEC334307,ZINC22_57311974,MCULE-8498118168,SPECS-id_AE-848/42024401,CoCoCo_6728341	512.462	NKOAITHPRGOKKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153716
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1Cl	PC-id_20175229	512.515	XMZYVEFMLXIXSM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153717
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_19654695	512.515	SVZYTFCHBDLADA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153718
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_20175286	512.515	ZDFHWDUHDSYDAE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153719
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)c(Cl)ccc1	PC-id_20175763	512.515	AFIRWDBMEZTKCV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153720
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1Cl	PC-id_19654688	512.515	YDMHYJARNCAOKS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153721
c1(c2CCCCCCCCCCc2sc1NC(=O)c1ccc(Br)s1)C(=O)OC(C)C	PC-id_4691150,ZINC22_2758587,CoCoCo_6789375,MCULE-2276377227,EMOLS-id_4178003,TIMTEC519693	512.523	WDHJXEJTPUJXQY-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-153722
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)c(F)cc(F)c2F)cc1)C(=O)OC	PC-id_20171242	512.543	JEOVONURNIOJIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153723
O=C1C(CCn2c(N1C)cc(n2)CCCN1CCC(C1)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL19641463	512.555	HVEHPXHGLSGXIH-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-153724
O=C1[C@H](CCn2c(N1C)cc(n2)CCCN1CCC(C1)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367342	512.555	HVEHPXHGLSGXIH-FQEVSTJZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-153725
O=C1[C@@H](CCn2c(N1C)cc(n2)CCCN1CCC(C1)(F)F)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367344	512.555	HVEHPXHGLSGXIH-HXUWFJFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-153726
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1cc2c(cc1)OCO2)CCOc1ccccc1	PC-id_134805241	512.556	LQXONJJEGVIHDQ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-153727
CCCN(Cc1ccc(cc1)F)CCN(C(=O)C1=Nc2c(CC=C1OC)coc2C(=O)C(=O)N(C)C)C	PC-id_143402944	512.573	YPTSLZOELTZMFX-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-153728
C=C/C=C(/NC(=O)c1ccc(cc1)O)C=C/Cc1[nH]c2c(n1)C=CC(CC2)(C)C(=O)Nc1ccc(cc1)F	PC-id_142169312	512.575	SSKIXAMYGMGCLE-RLNSYGBESA-N	00000000100000110111000000000010000000000000000000000000	31-01-153729
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)N2CCN(CC2)C(=O)C)CC)cc1	PC-id_42854949	512.576	MFABDTLSRMHXAA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153730
CC(C)(C)S(=O)(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86267309,SCHEMBL20695085	512.588	FHXZOCLJCRQLGD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153731
CC(C)CS(=O)(=O)N1CCCc2c(C1)c(n[nH]2)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F	PC-id_86270345,SCHEMBL20695079	512.588	MRWJODYOHBMBFC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-153732
Cn1c(cccc1=O)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)(F)F)sc3CC2)CC1	BindingDB-id_989433,SCHEMBL21042365	512.588	IUDLGCVTTLUKGF-QAQDUYKDSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153733
O=C(c1cccc(=O)n1C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671940	512.588	IUDLGCVTTLUKGF-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153734
O=C(Cc1ccnc(c1)C)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041563,PC-id_138671191	512.588	RYMHJOPPXVULLI-RBUKOAKNSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153735
O=C(Cc1ncc(o1)C)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145452186	512.588	JTEGJPLCNDLQQC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153736
O=C(Cc1onc(c1)C)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451618	512.588	BASHOTYZRTVMLB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153737
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1cccnc1	PC-id_138670755	512.588	XGVDTCKZORABCV-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153738
O=C(N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1cccnc1	SCHEMBL21041102	512.588	XGVDTCKZORABCV-IYARVYRRSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153739
CO/C=C(C(=CC)C=C(c1nc2c([nH]1)C=C(CC=C2)C(=O)Nc1ccc(cc1)OC)/C(=C)O)/C=CC=NC	PC-id_143458022	512.599	LNBGYUZAHVXCON-ZIXMFNNPSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153740
CO/C=C/C(=CC=C(OC)/C)/Cc1cc(n(n1)c1ccc(cc1)C)NCC(=O)c1cnn2c1N=CCC=C2	PC-id_144446378	512.603	FFFYXJJZIBRECM-QNXIFQHDSA-N	00000000100000110111100000000010000000000000000000000000	31-01-153741
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc(F)cc2)ccc1)C(=O)OC	PC-id_18910196	512.616	DTFFWYUIAPILCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153742
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(F)cccc2)ccc1)C(=O)OC	PC-id_18910064	512.616	HOYVYTDOKYUGPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153743
CCN(CCC(=O)NCCN1CCCCC1)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-4152344792,EMOLS-id_25387072,PC-id_46049538	512.619	PPSNIYBOKXPMKH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153744
COC(=O)c1ccc(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3ccccc3)CCCCCC4)o2)cc1	ZINC22_408969297	512.619	LBPRLAILBKRZAG-ZCTHSVRISA-N	00000000101000110100100000000010000000000000000000000000	31-01-153745
COCOc1ccc(cc1)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1ccs2	PC-id_139709987	512.619	KDQRCWXLEIFVGP-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-153746
c12cc(nn1CCCN(C2=O)CCC1CCNCC1)C(=O)NC[C@H](NS(=O)(=O)CCCC)C(=O)O	BindingDB_PC-id_10529759,PC-id_10529759,CHEMBL300525	512.623	VYKRADAUJUCJRE-SFHVURJKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153747
CCCCS(=O)(=O)NC(C)C(=O)ONC(=O)c1nn2CCCN(C(=O)c2c1)CCC1CCNCC1	PC-id_88139861,SCHEMBL7416960	512.623	BZUKLULCWNGYKD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153748
S(=O)(=O)(NC(CNC(=O)c1nn2CCCN(CCC3CCNCC3)C(=O)c2c1)C(=O)O)CCCC	PC-id_49823745	512.623	VYKRADAUJUCJRE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153749
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)sc2c1CCCCCC2	ZINC22_408969870	512.638	VYPMGCQTRSUVEL-FMFFXOCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153750
ONC(=O)[C@H]1[C@H](CC/C=C/c2ccccc2)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966441	512.641	DYBMFFBRXHWMMS-OVLRTAPUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153751
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C)cc1)C(=O)OC	PC-id_23824115	512.641	NJEUJGUWIYHWMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153752
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2occc2)ccc1)CC)C(=O)OC	PC-id_18910361	512.641	JSOMNHYLYLXROW-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-153753
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2occc2)ccc1)C)C(=O)OCC	PC-id_18910296	512.641	JBYOUDPHHOLCGM-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-153754
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2occc2)ccc1)C)C(=O)OC	PC-id_18910297	512.641	JPRSHBQLKJZLPK-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-153755
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2occc2)ccc1)C(=O)OCC	PC-id_18910331	512.641	JNVSOGJYKDXODO-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-153756
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCC=Cc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_53785298	512.641	DYBMFFBRXHWMMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153757
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)CCC=Cc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_57221338	512.641	DYBMFFBRXHWMMS-ZCYQVOJMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153758
O=C1NC(Cc2ccccc2)CN(c2c1nn(c2)CCc1ccccc1)Cc1ccc(cc1)c1ccccc1	PC-id_142695299	512.644	QHFQSOAGWPVYBM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153759
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC=C)C(=O)OC	PC-id_17265093	512.644	POEXWGQSVOABSK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153760
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)CC=C)C(=O)OC	PC-id_19730670	512.644	RXBUPUZRMICVSF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153761
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)CC=C)C(=O)OC	PC-id_19730460	512.644	PIKRDGIGDDUDNI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153762
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)CC=C)C(=O)OC	PC-id_19733313	512.644	WOSRYHIUOGQOCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153763
Cc1c(ccc(c1)C(=O)N1CCCCc2c1ccs2)C(C=O)(N)N1CCN(CC1)C(=O)OC(C)(C)C	PC-id_91074426	512.664	MFTSHANVDGQHKN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153764
Cc1c(ccc(c1)C(=O)N1CCCCc2c1ccs2)C(NC=O)N1CCN(CC1)C(=O)OC(C)(C)C	SCHEMBL6446583,PC-id_87994180	512.664	QILHZDYOQAQQPK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153765
O=C1Nc2c(/C/1=C/c1[nH]c3c(c1CCCN1CCOCC1)CCCCC3)cc(cc2)S(=O)(=O)N(C)C	PC-id_60113765,SCHEMBL6695441	512.664	QPBMIWTXRWXHAV-NKFKGCMQSA-N	00000010100010100101000000001010000000000000000000000000	31-01-153766
O=C(C(c1ccc(cc1C)C(=O)N1CCCCc2c1ccs2)N)N1CCN(CC1)C(=O)OC(C)(C)C	SCHEMBL4835894,PC-id_69210109	512.664	GWWXPSUBKUTWFI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153767
O=C(N1CCN(CC1)C(=O)OC(C)(C)C)NCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	PC-id_69210112,SCHEMBL4835899	512.664	MVQZXDBSYKILID-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153768
S(=O)(=O)(N(C)C)c1cc2C(=Cc3[nH]c4c(c3CCCN3CCOCC3)CCCCC4)C(=O)Nc2cc1	PC-id_72651850	512.664	QPBMIWTXRWXHAV-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-153769
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	PC-id_138670688	512.679	WFSXWVWONXYKAK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153770
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	SCHEMBL21041032	512.679	WFSXWVWONXYKAK-IYARVYRRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153771
O=C(Cc1snc(c1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	PC-id_138670268	512.679	ODACTUJMRIZJLP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153772
O=C(Cc1snc(c1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	SCHEMBL21040604	512.679	ODACTUJMRIZJLP-IYARVYRRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153773
O=Cc1c2-c(c(C(c3c4-c(c(c3)C=O)ccc(C(C)(C)C)cc4)c3ccccc3)c1)ccc(C(C)(C)C)cc2	PC-id_15440518	512.681	NGMSUBPYIITCBB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153774
CCN1CCC(CC1)Nc1ccc2c(c1)/C(=Cc1cc(c3-c1ccccc3OCCCN(C)C)C)/C(=O)N2	SCHEMBL13324685	512.686	RCPYOOFNIKEKPF-VFCFBJKWSA-N	00000010100010100110000000001010000000000000000000000000	31-01-153775
O=C1Nc2c(cc(NC3CCN(CC3)CC)cc2)C1=Cc1c2-c(c(c1)C)c(OCCCN(C)C)cccc2	PC-id_59301651	512.686	RCPYOOFNIKEKPF-UHFFFAOYSA-N	00000010100010100110000000001010000000000000000000000000	31-01-153776
O=CCN(S(=O)(=O)c1cc2c(s1)C=CC(C=C2)C)CCN(Cc1ccc(cc1)C1=NCCN1C)C	PC-id_142132364	512.687	YIJOLGYYPOZCDQ-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-153777
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC)C(=O)OC	PC-id_20125016	512.687	OBIWOHGCRKQPKH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153778
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)C)C(=O)OCC	PC-id_20124986	512.687	LRQHTVDFJGBWTG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153779
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_20124685	512.687	HCNAPYCGMFFSQL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153780
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC)C(=O)OCC	PC-id_20124534	512.687	ZOPLQYIBNCMECP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153781
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(OC)ccc1)C)C(=O)OCC	PC-id_20172621	512.687	VKCYMKFVIKGKPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153782
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)C)C(=O)OC	PC-id_20124908	512.687	BYMHAADTQGLJKT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153783
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC)C(=O)OC	PC-id_20124469	512.687	FADLCFCIVWLPBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153784
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(OC)ccc1)C)C(=O)OC	PC-id_20172614	512.687	DNCOUTHCQRQMQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153785
c1(NC(=S)NC(=O)c2ccc3c(c(C)c(n3Cc3ccccc3)C)c2)sc2c(CCCCC2)c1C#N	CoCoCo_6576364,SPECS-id_AK-968/41016970,MCULE-8524153958,ZINC22_2726759,TIMTEC283705,EMOLS-id_5119856,PC-id_3685590	512.689	LGBKCWRLELXXBT-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-153786
CCn1c2c(CN(C2)S(=O)(=O)C)c(n1)CCC1Cc2c(CN(C1)S(=O)(=O)C)c(nn2C)C(C)C	SCHEMBL20462846,PC-id_135296163	512.689	DDSBRXVWJBCURH-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-153787
CNC/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CC(C)OC(=O)CCCCc2nc(C1)sc2)/C)C	PC-id_145165705	512.704	BESKJWJGGFHAHH-ZIQLTREJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153788
CNC/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CCCCc2nc(C1)sc2)/C)C	SCHEMBL18123414,PC-id_122597575	512.704	BESKJWJGGFHAHH-GOGZUOAMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153789
CCOC1CN(C1)[C@@H]1CC[C@H](CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1ccc([nH]c1=O)C)C	SCHEMBL19186048	512.707	LERQIPAKTWPCGV-HZCBDIJESA-N	00001000100010101100100000000010000000000000000000000000	31-01-153790
ONC(=O)[C@@H]1[C@H](O[Si](C(C)(C)C)(C)C)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966487	512.715	HGJKCMZCFIRUDD-VQTJNVASSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153791
S(=O)(=O)(N1C(C(O[Si](C(C)(C)C)(C)C)c2c(scc2)CC1)C(=O)NO)c1ccc(OC)cc1	PC-id_57157463	512.715	HGJKCMZCFIRUDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153792
S(=O)(=O)(N1[C@H]([C@@H](O[Si](C(C)(C)C)(C)C)c2c(scc2)CC1)C(=O)NO)c1ccc(OC)cc1	PC-id_57003037	512.715	HGJKCMZCFIRUDD-UXHICEINSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153793
O=Cc1c(C(c2c3-c(c(c2)C)cc(C(C)C)ccc3C)c2c3-c(c(c2)C)cc(C(C)C)ccc3C)cccc1	PC-id_15345840	512.724	OWIJOBHUTOFTBG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153794
O=Cc1cc(C(c2c3-c(c(c2)C)cc(C(C)C)ccc3C)c2c3-c(c(c2)C)cc(C(C)C)ccc3C)ccc1	PC-id_15345841	512.724	XNXABASMVBWGEU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153795
O=Cc1ccc(C(c2c3-c(c(c2)C)cc(C(C)C)ccc3C)c2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1	PC-id_15345843	512.724	HPCZLAPZLXEPBE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153796
Cc1ccc(c2-c(c1)c(C)cc2N=Nc1ccc(cc1)Cc1cc(c2-c1c(ccc(c2)C)C(C)C)C)C(C)C	PC-id_102347106	512.727	IDUWEKZLMLWNTB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153797
Cc1ccc(cc2-c1c(Cc1ccc(cc1)N=Nc1cc(c3-c1c(C)ccc(c3)C(C)C)C)cc2C)C(C)C	PC-id_102347107	512.727	YXPBBYXLSSRFMM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153798
CC1CCC(CC2C1C(C=C2C)CC1C(=O)C(C1=O)Cc1cc(c2-c1c(ccc(c2)C(C)C)C)C)C(C)C	PC-id_90991676	512.765	VIGMBAKCCUMVDC-UHFFFAOYSA-N	00001011100000000110000000000110000000000000000000000000	31-01-153799
OC1=C(C(=O)C1CC1C2C(CC(CCC2C)C(C)C)C(=C1)C)Cc1c2-c(c(c1)C)cc(ccc2C)C(C)C	PC-id_59917209	512.765	KEKRDKOBQALGLA-UHFFFAOYSA-N	00001111100000000110000000000110000000000000000000000000	31-01-153800
s1c2CCCCCc2c(c1NC(=O)CSCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C#N	PC-id_4451784	512.77	HNBGWGFWBHVQMS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153801
Cc1c(cc(cc1)NC(=O)Nc1c(ccc(c1)C(F)(F)F)Cl)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478289	512.911	QREMYXDCHRDSQJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153802
Cc1c(cc(cc1)NC(=O)Nc1c(cc(cc1)Cl)C(F)(F)F)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478249	512.911	UWJCDJVVLDFVEH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153803
O=C(Nc1ccc(cc1C(F)(F)F)Cl)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076559	512.911	UWJCDJVVLDFVEH-IBBHUPRXSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153804
O=C(Nc1cc(ccc1Cl)C(F)(F)F)Nc1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076936	512.911	QREMYXDCHRDSQJ-IBBHUPRXSA-N	00000010100000110110000000000010000000000000000000000000	31-01-153805
C[C@H](c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1cnc2n1CCCCC2	PC-id_68071662,SCHEMBL10233589	512.936	TZDSUWQRCQMPDW-LLVKDONJSA-N	00000000100000101101000000000010000000000000000000000000	31-01-153806
Clc1c(cc(NC(=O)c2sc(nc2)C(NC(=O)c2n3CCCCCc3nc2)C)nc1)C(F)(F)F	PC-id_77453723	512.936	TZDSUWQRCQMPDW-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-153807
Clc1ccc(NC(=O)CCc2c(NC(=O)c3sc4CN(CCCc4n3)C)cc(cc2)C(=O)O)cc1	PC-id_25052423	513.008	BDSKDKLHECNQLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153808
Clc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OC)cc1	PC-id_41320087	513.027	RIHCZZLMPOTPJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153809
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc(S(=O)(=O)N2CCOCC2)cc1	PC-id_16509475	513.027	WPBQYOBJRQXPJT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153810
c1(c2CCCCCc2sc1NC(=O)C(C)Oc1ccc(cc1)Cl)C(=O)Nc1ccccc1OCC	TIMTEC221079,PC-id_3850246,EMOLS-id_2766078,MCULE-1165081214	513.048	IOKBUWMILZWYPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153811
c1(c2CCCCCc2sc1NC(=O)C(C)Oc1cccc(Cl)c1)C(=O)Nc1ccccc1OCC	MCULE-5306494855,TIMTEC94514,PC-id_3762121,EMOLS-id_2765537	513.048	CDAZPWMJILNPGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153812
CCOc1ccccc1NC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2	ZINC22_8589773,CoCoCo_1731287,PC-id_40773994	513.048	CDAZPWMJILNPGM-QGZVFWFLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153813
CCOc1ccccc1NC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2	ZINC22_8589774,PC-id_40773995,CoCoCo_1731286	513.048	CDAZPWMJILNPGM-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153814
CCOc1ccccc1NC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)sc2c1CCCCC2	ZINC22_8589776,CoCoCo_1731301,PC-id_40773996	513.048	IOKBUWMILZWYPT-QGZVFWFLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153815
CCOc1ccccc1NC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)sc2c1CCCCC2	ZINC22_8589777,CoCoCo_1731302,PC-id_40773997	513.048	IOKBUWMILZWYPT-KRWDZBQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153816
CC(C(F)(F)F)NS(=O)(=O)NC1=C2CCCCCN2C(=C1Cl)C(=O)NC3=CC(=NC=C3)Cl	PC-id_155278787	513.062	ZNVQZHZYLCXVAM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-153817
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2c(c1)CCN(CC2)C)COC(=O)NC	PC-id_77997474	513.073	VOTDOLWGLPKQCC-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-153818
ClC1=CCC(S1)C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1sc2c(c1)CCN(CC2)C)COC(=O)NC	SCHEMBL14045011,PC-id_71055957	513.073	VOTDOLWGLPKQCC-CKDQBVIESA-N	00000011100000000100000000000010000000000000000000000000	31-01-153819
CN1CCc2c(CC1)sc(c2)C(=O)N1CC(CC1C(=O)N(C)OC)NC(=O)C1CC=C(S1)Cl	PC-id_89231713	513.073	BJKOSHTTWZPFGV-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-153820
CON(C(=O)[C@@H]1C[C@H](CN1C(=O)c1cc2c(s1)CCN(CC2)C)NC(=O)C1CC=C(S1)Cl)C	SCHEMBL14044890	513.073	BJKOSHTTWZPFGV-CKDQBVIESA-N	00000011100000000100000000000010000000000000000000000000	31-01-153821
C1C[C@@H](OC[C@H]1CC(=O)COC2=CN=CC=C2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_161863943	513.191	YASGZJYVJWZFTK-IEBWSBKVSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153822
CC1=C(C=CC=N1)C(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F	PC-id_161283617	513.207	VFKPSGXWVJLROC-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-153823
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)CCC(F)(F)F	PC-id_160405268	513.21	QFWMAMDVRPLBFU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153824
CC1=NC=C(O1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCCC(F)(F)F	PC-id_161247922	513.227	XFEMGRQCEUBAPL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153825
CC(C)CC(C(=O)CC1CC2=C(CCCCCNC(=O)C1=O)SN=C2)NC(=O)OCC3=CC=CC=C3	PC-id_160288850	513.23	PROFSXJJELOLAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153826
CC(C)CC(C(=O)CC1CCC2=C(CCCCNC(=O)C1=O)SN=C2)NC(=O)OCC3=CC=CC=C3	PC-id_149461773	513.23	YZQNVVQDCMSFAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153827
CC(C)CC(C(=O)CC1CCCCC2=CSN=C2CCNC(=O)C1=O)NC(=O)OCC3=CC=CC=C3	PC-id_146724908	513.23	RGEGREDXRMYIHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153828
CC1=NN(C(=N1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)C	PC-id_161247921	513.239	YQVNYFGLZDTSLS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153829
CC(COC1=NC2=C(S1)CCN(CC2)CCC3(CCC(CC3)CC(=O)CC4=NN(N=C4)C)F)(F)F	PC-id_160095024	513.239	OTQNRPBHQFFVKV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153830
C[C@@H](C(F)(F)F)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)CC4=NN(N=C4)C	PC-id_160961188	513.239	SXAMHAVAYPEZSN-AOCRQIFASA-N	00000000100010000101000000000010000000000000000000000000	31-01-153831
CCN1C=C(C=N1)CC(=O)NC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160349210	513.239	MHQFHJPTZZMJCO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153832
CC([C@H]1C(=C)NCCOCCOCC(=O)N[C@H](C2=NOC(=N2)[C@@H](NC(=O)N1)CC(=O)NC)CCO)O	PC-id_164998785	513.255	DIBLPYYLSURINC-QMKZIMJPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153833
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1Cl)NC(=O)c1ccccc1C(F)(F)F	SCHEMBL6984131,PC-id_69952019	513.359	YSVDFCMDWCVXIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153834
Clc1ccc(cn1)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)Cl)F)C	SCHEMBL18353545	513.369	IHNPECWWXOVCNH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-153835
c1(NC(=S)NC(=O)c2ccccc2I)sc2c(CCCCCC2)c1C(=O)N	STOCK2S-75602,ZINC22_2316522,EMOLS-id_4457243,CoCoCo_1740205,MCULE-8586137453,PC-id_1933113	513.415	JSLZVIGMAGVVHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153836
Brc1c2C(=Cc3[nH]c4CCCN(CCCN5CCOCC5)C(=O)c4c3C)C(=O)Nc2ccc1	PC-id_77953847	513.427	OXIXIZUFKMZWDU-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-153837
Brc1c2/C(=C/c3[nH]c4CCCN(CCCN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2ccc1	SCHEMBL13480218,PC-id_70917186	513.427	OXIXIZUFKMZWDU-ICFOKQHNSA-N	00000010100010100101000000001010000000000000000000000000	31-01-153838
Brc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCCN1CCOCC1)/C(=O)N2	PC-id_145511728	513.427	KMQAVTLFXXMLCE-CYVLTUHYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-153839
c1(c2CCCCCc2sc1NC(=O)c1ccccc1Br)C(=O)Nc1ccccc1OCC	MCULE-2917170752,EMOLS-id_2765625,PC-id_3817379,ZINC22_8843224,CoCoCo_5964679,TIMTEC401608,GD-id_ZINC08843224	513.447	QHTYIKDTYLAGKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153840
c1(c2CCCCCc2sc1NC(=O)c1ccc(cc1)Br)C(=O)Nc1ccccc1OCC	MCULE-8191447267,CoCoCo_1731224,EMOLS-id_2767360,PC-id_4561682,ZINC22_8861064	513.447	XUAJHPNDCYXPNQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153841
COc1c(c(cc(c1)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1ccccc1)Br)O	PC-id_137050249	513.447	ZQGOOYDHLHOLLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153842
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1O	ZINC22_408964716	513.447	ZQGOOYDHLHOLLL-JFLMPSFJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153843
CCOC(=O)c1nn2c(c1)CN(CCC2)S(=O)(=O)CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700522	513.454	DPAJYOUYJZMQNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153844
Brc1cc2C(=Cc3[nH]c4CCCN(CCN(CCC)CCC)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_77950533	513.47	MFFLPJRUBXPKQC-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-153845
Brc1cc2/C(=C/c3[nH]c4CCCN(CCN(CCC)CCC)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL13449407,PC-id_70905800	513.47	MFFLPJRUBXPKQC-SILNSSARSA-N	00000010100000100100000000001010000000000000000000000000	31-01-153846
Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CCCCC2	PC-id_1734462,GD-id_ZINC02072928	513.47	NKOAITHPRGOKKC-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-153847
O=C1NC2C(=C(Br)C=CCC2)/C/1=C/c1[nH]c2c(c1C)C(=O)N(CCC2)CCN1CCCCC1	PC-id_145511736	513.47	ARWFUFDYQJSEDK-VLGSPTGOSA-N	00000010100010000110000000000110000000000000000000000000	31-01-153848
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1c(n(nc1C)Cc1cc(ccc1)C(F)(F)F)C	PC-id_19523787	513.479	NILVEMYOMNHLEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153849
Brc1c(n(nc1C)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_20176521	513.515	CAMHRPYHHPOAOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153850
Brc1cn(nc1C)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_20176458	513.515	VRIGLYPFDKTMHH-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153851
Brc1c(n(nc1C)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC)C	PC-id_20176514	513.515	ODXLISWQRLOPRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153852
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OCC(=O)NC1=NCCN1)CC	PC-id_23296722,SCHEMBL8164199	513.543	DKSHCPKRMIYMJP-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-153853
C1N(CCC(C(=O)OCC)C1)C(=O)CCNC(=O)c1cc2n(n1)CCCN(Cc1ccc(cc1)F)C2=O	MCULE-6489295898,PC-id_46049554,EMOLS-id_25387244	513.561	FJSTWKFPYQAVBD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153854
C1N(CCC(C(=O)OCC)C1)C(=O)C(C)NC(=O)c1cc2n(n1)CCCN(Cc1ccc(cc1)F)C2=O	PC-id_46049513,EMOLS-id_25387512,MCULE-2996435346	513.561	JOCKRSIGFGQXCO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153855
C1N(CCC(C(=O)OCC)C1)C(=O)CN(C)C(=O)c1cc2n(n1)CCCN(Cc1ccc(cc1)F)C2=O	MCULE-6763884530,EMOLS-id_25387090,PC-id_46049527	513.561	WQDHTFDBYVCSOE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153856
CCOC(=O)C1CCCN(C1)C(=O)C(C)NC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	EMOLS-id_25387514,MCULE-5381616574,PC-id_46049514	513.561	DDVNZGCKSYQJFJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153857
CCOC(=O)C1CCCN(C1)C(=O)CCNC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-7014473109,EMOLS-id_25387154,PC-id_46049556	513.561	FKECQOWZIAZGBH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153858
CCOC(=O)C1CCCN(C1)C(=O)CN(C)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	PC-id_46049528,EMOLS-id_25387938,MCULE-7207817676	513.561	ULVMQJLSOCWOSO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153859
CCOC(=O)C1CCN(CC1)C(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_93332338	513.561	JOCKRSIGFGQXCO-QGZVFWFLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153860
CCOC(=O)C1CCN(CC1)C(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_93332339	513.561	JOCKRSIGFGQXCO-KRWDZBQOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153861
CCOC(=O)[C@@H]1CCCN(C1)C(=O)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F	PC-id_93332116	513.561	FKECQOWZIAZGBH-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153862
CCOC(=O)[C@H]1CCCN(C1)C(=O)CCNC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F	PC-id_93332117	513.561	FKECQOWZIAZGBH-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-153863
CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_93332340	513.561	DDVNZGCKSYQJFJ-IEBWSBKVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153864
CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_93332341	513.561	DDVNZGCKSYQJFJ-MJGOQNOKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153865
CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_93332342	513.561	DDVNZGCKSYQJFJ-PKOBYXMFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153866
CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_93332343	513.561	DDVNZGCKSYQJFJ-HKUYNNGSSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153867
CCOC(=O)[C@@H]1CCCN(C1)C(=O)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_93332448	513.561	ULVMQJLSOCWOSO-LJQANCHMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153868
CCOC(=O)[C@H]1CCCN(C1)C(=O)CN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)C	PC-id_93332449	513.561	ULVMQJLSOCWOSO-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-153869
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNCc1cc2c(cc1)OCO2)Cc1ccccc1F	PC-id_134808977	513.563	BCELWKUCRAWQJO-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-153870
CC(=O)Nc1cc(ccc1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1F	PC-id_134804872	513.563	MBGJBTGOQRSKOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153871
Cn1cc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)OC2)cn1	SCHEMBL21042375,PC-id_138671948,BindingDB-id_989439	513.576	NIIZBIHFOWYVTO-GNWSRGIHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153872
CCCCC(C1C[C@H](NC(=O)c2ncn(n2)Cc2c(F)cccc2F)C(=O)N(c2n1nc(c2)C)C)CC	SCHEMBL19658937	513.583	LDWJFAWSGRRSOP-LPBNZCGVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153873
N#Cc1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)sc2c1CCCCC2	EMOLS-id_43732310,CoCoCo_2951662,ZINC22_2638871,MCULE-6723838419,PC-id_2101725	513.586	LHVZLMPXSSSKEC-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-153874
Cc1c(cccc2-c1c[n+](n2)CC1CCN(CC1)C(=O)c1ccc(cc1)c1ccno1)C(=NCCOC)[O-]	PC-id_137285151	513.588	TTYPVIMMDGBHMG-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-153875
COCCNC(=O)C1=C(C)c2cn(nc2C=C=C1)CC1CCN(CC1)C(=O)c1ccc(cc1)c1ccno1	SCHEMBL19791722	513.588	QWVXFYIZITXXSK-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-153876
[Na+].S(=O)(=O)(c1c2-c(c(c1)CCCCNS(=O)(=O)c1ccc(cc1)OC)ccc(cc2)C(C)C)[O-]	CHEMBL77223	513.602	JGQBBXKKRWHBAD-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-153877
COCC(=O)Nc1cc2NC(=O)C(c2cc1F)Cc1[nH]c2c(c1C)C(=O)N(CCC2)CCN(CC)CC	PC-id_145511572	513.604	RNGIPJDSESZRDX-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-153878
Cc1ccc(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3ccccc3)CCCCCC4)o2)cc1[N+](=O)[O-]	ZINC22_408972081	513.607	RRFOXOSFDHMGDB-UXHLAJHPSA-N	00000000101000110100100000000010000000000000000000000000	31-01-153879
Cc1ccc([N+](=O)[O-])cc1c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)o1	ZINC22_408968901	513.607	COYAACVDGFESKL-UXHLAJHPSA-N	00000000101000110100100000000010000000000000000000000000	31-01-153880
Cc1cc([N+](=O)[O-])ccc1c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)o1	ZINC22_408971419	513.607	OFDKGUXIJHMJIE-UXHLAJHPSA-N	00000000101000110100100000000010000000000000000000000000	31-01-153881
COC[C@@H](Oc1cc(Oc2nc3c(s2)C(=O)N(CC(C3)(C)C)C)cc(c1)C(=O)Nc1ccn(n1)C)C	PC-id_15953200,SCHEMBL2075094	513.609	AWXCTTYSMVYPSG-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153882
s1c2c(nc1Oc1cc(OC(COC)C)cc(c1)C(=O)Nc1nn(cc1)C)CC(CN(C2=O)C)(C)C	PC-id_73205020	513.609	AWXCTTYSMVYPSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153883
COC(=O)[C@H]1[C@H](CCc2cccc(c2)C=O)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966479	513.626	DBBYQKRFXJRCIE-ILBGXUMGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153884
CC(=O)N1CCN(CC1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)Nc1cc(ccc1)S(=O)(=O)C	PC-id_89125893	513.632	VURBHDSIXKMZET-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153885
CC(=O)N1CCN(CC1)C(=O)c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1cccc(c1)S(=O)(=O)C	SCHEMBL13591921	513.632	VURBHDSIXKMZET-LQXHBIKOSA-N	00000000100010110111000000000010000000000000000000000000	31-01-153886
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1)C(=O)NC	PC-id_43947629	513.632	ZUNIONFCYLXHDS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153887
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)C)C#N	PC-id_19731196	513.632	IJWJPSSVYKBPLE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153888
CN1CCCn2c(C1)cc(n2)Nc1ncnc(c1)c1ccc(c(c1)C)CNC(=O)c1cnn(c1)C(C)(C)C	PC-id_118139676,SCHEMBL16814204	513.637	WWWVGLJQBDBUJG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153889
Cn1nc(c2c1OCC(CC(=C2)S(=O)(=O)C)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C	PC-id_146160653,EMOLS-id_323942637	513.65	IZFHPOMGMDNIEI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153890
c1(NC(=S)NNS(=O)(=O)c2ccc(cc2OC)OC)sc2c(CCCCCC2)c1C(=O)OC	MCULE-7103401984,CoCoCo_991290,EMOLS-id_2469503,ChEMBL-DNDi_CHEMBL1887264,ZINC22_15919320,TIMTEC375597,PC-id_2954894	513.651	PEQLXURWEXIQKG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153891
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC)C#N	PC-id_19640514	513.651	YTZLQQZQMOJKEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153892
CC(=O)Nc1sc2c(c1C(=O)N1CCC(CC1)N1CCNC(C1)C(=O)N1CCOCC1)C=CC=CC2	PC-id_143561173	513.652	BGWNDLSPCKUKEN-UHFFFAOYSA-N	00000000100010000111100000000010000000000000000000000000	31-01-153893
O=C(Cc1nnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	PC-id_138670694	513.667	ZTWSJKQTXBIQAO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153894
O=C(Cc1nnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	SCHEMBL21041038	513.667	ZTWSJKQTXBIQAO-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153895
COC(=O)[C@@H]1[C@H](CCc2cc(C)cc(c2)C)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966434	513.669	NBMFCVCNOMLGHR-RSXGOPAZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153896
S(=O)(=O)(N1C(C(CCc2cc(cc(c2)C)C)c2c(scc2)CC1)C(=O)OC)c1ccc(OC)cc1	PC-id_76507005	513.669	NBMFCVCNOMLGHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153897
S(=O)(=O)(N1[C@H]([C@@H](CCc2cc(cc(c2)C)C)c2c(scc2)CC1)C(=O)OC)c1ccc(OC)cc1	PC-id_57276714	513.669	NBMFCVCNOMLGHR-AZGAKELHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153898
CC(CF)Oc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4nn(C)cc34)CCc2s1	SCHEMBL21041928,BindingDB-id_989437	513.67	IJOUOSAAJUJMCV-JUUMZCOKSA-N	00000000100010100101000001000010000000000000000000000000	31-01-153899
CC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)c1cccc2c1cn(n2)C)F	PC-id_138671932	513.67	GHRWDVVQSGYINQ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-153900
CC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1cccc2c1cn(n2)C)F	SCHEMBL21042357	513.67	GHRWDVVQSGYINQ-JUUMZCOKSA-N	00000000100010100101000001000010000000000000000000000000	31-01-153901
FCC(Oc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)c1cccc2c1cn(n2)C)C	PC-id_138671541	513.67	IJOUOSAAJUJMCV-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-153902
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1ccc(C(C)(C)C)cc1)C(=O)OCC	PC-id_4090551	513.672	OEPVOZQIGQBDNI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153903
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)CC)C(=O)OC	PC-id_20127818	513.675	VWYDHKXINMWBPV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153904
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)C)C(=O)OCC	PC-id_20127777	513.675	RPXCTQUYKHEYIJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153905
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)CC)C(=O)OC	PC-id_20128145	513.675	OSNWWLCLALCHDJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153906
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)C)C(=O)OCC	PC-id_20128108	513.675	AWEOYXMIRGLHOV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153907
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC=C)C(=O)OCC	PC-id_20127462	513.675	VFKHEKMFOFEYMT-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-153908
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)C)C(=O)OC	PC-id_20127710	513.675	NUEQSSBILHBAHZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153909
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)C)C(=O)OC	PC-id_17266812	513.675	NKBQLXILVQBUSA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153910
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1n(ccc1)C)CC=C)C(=O)OC	PC-id_20127378	513.675	OZUVDNDORWRCAU-UHFFFAOYSA-N	00000000110000000101000000000010000000000000000000000000	31-01-153911
C/C(=CC1Cc2nc(cs2)CCC(N)CC(=O)OC(C/C(=C/C=CC(=O)O1)/C)C)/C=C/C(=C/CN)/C	SCHEMBL19430522	513.692	AVUQOLHOUZITKM-WZILTXOLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153912
C/C(=C[C@@H]1Cc2nc(cs2)CC[C@@H](N)CC(=O)O[C@H](C/C(=C/C=CC(=O)O1)/C)C)/C=C/C(=C/CN)/C	SCHEMBL19430245	513.692	AVUQOLHOUZITKM-KANVMHPZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-153913
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)C)C#N	PC-id_19717482	513.698	GQDNJIAFQLLBFZ-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-153914
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1sccc1)C#N	PC-id_19725337	513.698	NUHJDTRMJDNWHD-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-153915
C=S(=O)(c1ccccc1)N1CCCC1C(=O)Nc1c(c2c(s1)CCCCC2)C(=O)N1CCCCC1	PC-id_88872243	513.715	ZZFXKHCOKVJPMM-UHFFFAOYSA-N	00000010100010110100000000000010000000000000000000000000	31-01-153916
O=C(c1c(sc2c1CCCCC2)NC(=O)[C@H]1CCCN1S(=O)(=C)c1ccccc1)N1CCCCC1	SCHEMBL12057640	513.715	ZZFXKHCOKVJPMM-HZSLSTAUSA-N	00000010100010110100000000000010000000000000000000000000	31-01-153917
O=C(c1c(sc2c1CCCCC2)NC(=O)[C@@H]1CCCN1S(=O)(=C)c1ccccc1)N1CCCCC1	SCHEMBL12057642	513.715	ZZFXKHCOKVJPMM-DAJKIOHCSA-N	00000010100010110100000000000010000000000000000000000000	31-01-153918
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)NCCCCCCCCCCCCCCCCCC	PC-id_19527318	513.722	IRSYKNVXXUEOEV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153919
s1c2CCCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(CC)c(sc1)C)C#N	PC-id_19721938	513.742	YQJAZSTXHOAUCU-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-153920
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CCC)C#N	PC-id_19719654	513.742	OZGUJBFRXYFAHO-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-153921
s1c2CCCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CCC)C#N	PC-id_19719810	513.742	VBCMBVBFJHXQDC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-153922
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)C(C)C)C#N	PC-id_19720428	513.742	JKTSOPZZCGMPCU-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-153923
s1c2CCCCCCc2c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C(C)C)C#N	PC-id_19720584	513.742	YEZMJJADMRPCIU-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-153924
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CCC)C#N	PC-id_19721827	513.742	AGJHWOQCGFMFJA-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-153925
O=C/C(=C(C=C(/NC)C)/C)/CN1CCCc2c(C1=O)c(C)c(s2)[C@@H](C1CCN(CC1)CC(C)(C)C)C	SCHEMBL19564534	513.778	DXJSNLRPWTVWML-LXIIZLANSA-N	00000000100010000100000000000010000000000000000000000000	31-01-153926
CCOC(=O)c1nn2c(c1Cl)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16099607,PC-id_86345518	513.818	VLVMSYLOWXXVGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153927
CC(c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1cnc2n1CCCCN2	PC-id_136625719	513.924	NHMSBJHDJARBCD-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-153928
C[C@H](c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1cnc2n1CCCCN2	SCHEMBL13275427,PC-id_136635042	513.924	NHMSBJHDJARBCD-SNVBAGLBSA-N	00000000100000101101000000000010000000000000000000000000	31-01-153929
CC1(CNCCN1C(=O)c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)C(F)(F)F)C	SCHEMBL16100799,PC-id_90461356	513.94	JUGPIXQZUUUDFY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153930
CC1NC(C)CN(C1)C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700500	513.94	UJTOQNUATRXGGH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153931
CCC1CNCCN1C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700365	513.94	NQDNTMXCOFMFKH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153932
CCC1NCCN(C1)C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700407	513.94	DZXZVWCJYKBWQP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153933
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2C(C)CNCC2C)cc(c1)C(F)(F)F	PC-id_140700518	513.94	NLDYUXSGCCHVCX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153934
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCNC(C2)(C)C)cc(c1)C(F)(F)F	PC-id_140700403	513.94	BTAOCELPEGKFKF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153935
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2[C@H](C)CNC[C@H]2C)cc(c1)C(F)(F)F	PC-id_140700392	513.94	NLDYUXSGCCHVCX-HUUCEWRRSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153936
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2[C@H](C)CNC[C@@H]2C)cc(c1)C(F)(F)F	PC-id_140700423	513.94	NLDYUXSGCCHVCX-GASCZTMLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153937
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2[C@@H](C)CNC[C@@H]2C)cc(c1)C(F)(F)F	PC-id_140700427	513.94	NLDYUXSGCCHVCX-GJZGRUSLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-153938
CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1sc2c(c1C#N)CCCCCC2)C(F)(F)F	CoCoCo_6890688,ZINC22_8445396,PC-id_40733875	513.96	OLQWSZKZRAPAIM-QFIPXVFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153939
CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1sc2c(c1C#N)CCCCCC2)C(F)(F)F	PC-id_40733876,ZINC22_8445397,CoCoCo_6890687	513.96	OLQWSZKZRAPAIM-JOCHJYFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153940
CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(Nc1sc2CCCCCCc2c1C#N)C(F)(F)F	MCULE-5584324896,EMOLS-id_8219582,PC-id_4247709,SPECS-id_AG-389/40688248	513.96	OLQWSZKZRAPAIM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153941
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2)c1ccccc1	PC-id_74926837	515.688	DUELPBWTINORJK-UHFFFAOYSA-N	00000010100010110100000000000010000000000000000000000000	31-01-154187
c1(c2CCCCCc2sc1NC(=O)c1c(Cl)ccc(c1)N(=O)=O)C(=O)Nc1ccccc1OCC	EMOLS-id_2767362,SPECS-id_AG-205/14378049,CoCoCo_1954947,ZINC22_3671688,MCULE-5385684491,PC-id_3804340	513.993	RUYQCJDWJDPFKY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153942
C=C/C=C(C/C=C(CN1CCCCn2c1nc(=C)/c/2=C(/C(C(F)(F)F)O)C=C/C(Cl)C)/CC)/OC	PC-id_143837338	514.023	MDEXBJQJHGDHSB-CXYBJQJHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-153943
COc1ccc(cc1Cl)CCC1(CC(=C(C(=O)O1)Sc1nc2c(o1)C=CCC=C2)O)C1CCCC1	PC-id_142828024	514.033	OSQPFTRKGCEMOQ-UHFFFAOYSA-N	00000010100011110111100000000010000000000000000000000000	31-01-153944
Clc1ccc(S(=O)(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cc1	CHEBI:113499,PC-id_44494070	514.038	XRXVGTRBMNTJPS-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153945
Clc1ccc(S(=O)(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cc1	CHEBI:113527,PC-id_44492575	514.038	XRXVGTRBMNTJPS-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153946
Clc1ccc(S(=O)(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cc1	CHEBI:95990,PC-id_44493572,CHEMBL1873076	514.038	XRXVGTRBMNTJPS-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153947
Clc1ccc(S(=O)(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cc1	PC-id_44493063,CHEBI:113523	514.038	XRXVGTRBMNTJPS-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153948
Clc1ccc(S(=O)(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cc1	PC-id_44493064,CHEBI:96017	514.038	XRXVGTRBMNTJPS-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153949
Clc1ccc(S(=O)(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cc1	PC-id_44494933,CHEBI:113320	514.038	XRXVGTRBMNTJPS-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153950
Clc1ccc(S(=O)(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cc1	PC-id_44495431,CHEBI:95779	514.038	XRXVGTRBMNTJPS-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153951
Clc1ccc(S(=O)(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cc1	PC-id_44495432,CHEBI:113477	514.038	XRXVGTRBMNTJPS-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153952
Clc1ccc(S(=O)(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)cc1	CHEBI:113382,PC-id_44493573	514.038	FLBHXJCYMARYBO-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153953
Clc1ccc(S(=O)(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cc1	CHEBI:113489,PC-id_44492574	514.038	FLBHXJCYMARYBO-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153954
Clc1ccc(S(=O)(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cc1	CHEBI:95788,PC-id_44492573	514.038	FLBHXJCYMARYBO-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153955
Clc1ccc(S(=O)(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)cc1	PC-id_44488682,CHEBI:113440	514.038	FLBHXJCYMARYBO-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153956
Clc1ccc(S(=O)(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cc1	PC-id_44493571,CHEBI:113497	514.038	FLBHXJCYMARYBO-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153957
Clc1ccc(S(=O)(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cc1	PC-id_44494932,CHEBI:113338	514.038	FLBHXJCYMARYBO-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153958
Clc1ccc(S(=O)(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cc1	PC-id_44495433,CHEBI:113317	514.038	FLBHXJCYMARYBO-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153959
Clc1ccc(S(=O)(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cc1	PC-id_44495956,CHEBI:113341	514.038	FLBHXJCYMARYBO-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153960
CN(CC(c1ncc[nH]1)O)Cc1sc2c(c1C)N(C)C=C(C(=O)C2)C(=O)NCc1ccc(cc1)Cl	PC-id_142265577	514.04	CSETZIAONGDZDR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153961
Clc1sc(OC(=O)NC2CC(N(C2)C(=O)c2sc3c(C(OC)CN(CC3)C)c2)COC)cc1	PC-id_77593849	514.058	HCAOYOAQKSYGQL-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153962
Clc1sc(OC(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c([C@@H](OC)CN(CC3)C)c2)COC)cc1	PC-id_70893649,SCHEMBL13372804	514.058	HCAOYOAQKSYGQL-YCPHGPKFSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153963
Clc1sc(OC(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c([C@H](OC)CN(CC3)C)c2)COC)cc1	SCHEMBL4433481,PC-id_69042187	514.058	HCAOYOAQKSYGQL-IJEWVQPXSA-N	00000010100100000100000000000010000000000000000000000000	31-01-153964
Clc1cc(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)c(OC)cc1	PC-id_19731700	514.063	KFPAGEQIYATPQR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-153965
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)cc1	PC-id_17302397	514.063	OXVBRWZWSBFQRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153966
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)cccc1	PC-id_19632011	514.063	QINSGBZQLQHWDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153967
CC(c1ccc(cc1)OC)NS(=O)(=O)C=Cc1n[nH]c2c1CCCCCC2Cc1cc(ccc1)Cl	PC-id_91472898	514.079	UDTUTHPKTLQWQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153968
Clc1cc(CC2CCCCCc3c2[nH]nc3/C=C/S(=O)(=O)N[C@H](c2ccc(OC)cc2)C)ccc1	SCHEMBL13011083,PC-id_24966137	514.079	UDTUTHPKTLQWQI-XKFIIDRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-153969
COc1ccc(cc1)[C@@H](NS(=O)(=O)C(=C)c1n[nH]c2c1CCCCCC2Cc1cccc(c1)Cl)C	PC-id_142701888	514.079	QCXLKUSWXTXTTO-HXBUSHRASA-N	00000000100000110101000000000010000000000000000000000000	31-01-153970
CC(C(F)(F)F)NS(=O)(=O)NC1=C2CCCCCN2C(=C1Cl)C(=O)NC3=CC(=C(C=C3)F)F	PC-id_155278822	514.086	DGAWDRYDNLREBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153971
COC1=CN=C(C=C1)NC(=O)C2=NC=C(C=C2)CN3C(C(=O)NC4=C(C3=O)SC=C4)CC5=CC=CC=N5	PC-id_164916579	514.142	UXGJDJVAZGVFAA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-153972
CC1=NC=C(S1)CC(=O)NC2CCC(OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F	PC-id_148847273	514.188	OWSJXULEJAVZGP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153973
CC1=NN=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)CCC(F)(F)F	PC-id_160165061	514.205	PCHNWKRKZQTDLU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153974
CC(COC1=NC2=C(S1)CCN(CC2)CC[C@H]3CC[C@@H](CO3)NC(=O)CC4=CC(=NO4)OC)(F)F	PC-id_148632157	514.206	NIIYYNMLJBPZMZ-JKSUJKDBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153975
CC1=NN=C(O1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCCC(F)(F)F	PC-id_160286103	514.223	PRFHFDGYMDZIOZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153976
CC1=NN=C(O1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)O[C@@H](C)C(F)(F)F	PC-id_161412151	514.223	VVPLLFXKMNXUPP-ZLPCBKJTSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153977
CN1C=C(C=N1)OCC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160540732	514.223	QWTBUMVOEAGHKN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-153978
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1Cl)NC(=O)c1cccc(c1Cl)Cl	SCHEMBL6989322,PC-id_69953975	514.252	ZDWZASVKMFTEHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153979
Clc1cc2c(s1)CCCCN2C(=O)c1ccc(cc1)NC(=O)c1cc(Cl)cc(c1Cl)Cl	SCHEMBL6988119,PC-id_69953499	514.252	MVIBGALKKZPHAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153980
Clc1ccc(c(c1)Cl)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1CCCCc2c1cc(s2)Cl	SCHEMBL6991600,PC-id_69954690	514.252	QCJPPPLJLLJJQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153981
Clc1cc(Cl)c(c(c1)Cl)C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1cc(s2)Cl	SCHEMBL6992414,PC-id_69954930	514.252	FXBWWTFDEJLWQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153982
Clc1cc(Cl)c(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1CCCCc2c1ccs2)Cl	SCHEMBL8796970,PC-id_57160501	514.252	MEKLKOFSYRSHLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153983
s1c2c(CCCCCC2)c(c1NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C#N	PC-id_3567806	514.356	BWCAIPCUCYRILY-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-153984
Clc1c(Cn2nc(c(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)c2C)C)ccc(Cl)c1	PC-id_19527309	514.371	SQCDCOMYHRSNBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153985
Clc1c(OCC(=O)Nc2ccc(C(=O)Nc3sc4CCCCCc4c3C#N)cc2)ccc(Cl)c1	CoCoCo_5899212,PC-id_33776812	514.424	DEBKLDYHBMRURG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153986
O=C(N1CCCn2c(C1)cc(n2)S(=O)(=O)N(C)C)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_118875564,SCHEMBL17509115	514.442	ZFWCOFSSCOPFEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153987
Ic1ccc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_20408907	514.443	CLSASXDDTWLUAK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153988
Ic1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cccc1	PC-id_20409290	514.443	PHBBNTURFMQRFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153989
O=C1N[C@H]2[C@H](O1)CN(CC2)C(=O)n1cc2c(c1)C=CN(C=C2)C(=O)/C=C/c1ccc(cc1)OC(F)(F)F	PC-id_118270158,SCHEMBL16962276	514.453	IADQMEZKGGPAHE-PURBIHQZSA-N	00000010100010110111000000000110000000000000000000000000	31-01-153990
Brc1cnn(Cc2ccc(cc2)C(=O)NC(=S)Nc2sc3CCCCCc3c2C#N)c1	CoCoCo_6597963,ZINC22_649339,MCULE-9951172569,EMOLS-id_4178897,GD-id_ZINC00649339,SPECS-id_AK-968/41024427,TIMTEC316730,PC-id_995785	514.461	MQYVGDPQCSRTPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-153991
O=C/C(=Cc1[nH]c2c(c1C)C(=O)NCCC2)/c1cc(ccc1NC)SCc1c(Cl)cccc1Cl	PC-id_145511746	514.467	VFCGOGFGTGBTHR-LFIBNONCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153992
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(F)c(F)c(c(F)c1F)C(F)(F)F)C(=O)OCC	PC-id_20170433	514.48	QAWXBFJJVWOGPT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153993
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(F)c(F)c(c(F)c1F)C(F)(F)F)C(=O)OC	PC-id_20170426	514.48	LNCQRGSQWOGTAU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153994
COCCC1=C(C(=O)NC(C)C)c2[nH]nc(c2C(CN1C(=O)c1ccc(c(c1)F)F)(C)C)C(F)(F)F	SCHEMBL19659378	514.488	VCCPLSVNIBHKJK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-153995
s1c2c(CCCCC2)c(c1NC(NC(=O)c1c(OC)cccc1)(C(F)(F)F)C(=O)OC)C(=O)OC	PC-id_4152521	514.515	WOGRDSJYGLOVQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-153996
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C(=O)OC)C(=O)OC	SCHEMBL9335489,PC-id_19102876	514.526	NKURQTLVGQSKAD-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-153997
C=CCn1c(=O)/c(=C/c2ccc(c3ccc([N+](=O)[O-])cc3)o2)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	CoCoCo_3610905,ZINC22_3179623,PC-id_2314637	514.556	NBFBAXRJEZCLCG-IWZPIPTHSA-N	00000000101000110101100000000010000000000000000000000000	31-01-153998
C=CCn1c(=O)/c(=Cc2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/s/c/1=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3610907	514.556	NBFBAXRJEZCLCG-SDQVYUJYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-153999
C=CCn1c(=O)/c(=Cc2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/s/c/1=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3610908	514.556	NBFBAXRJEZCLCG-OUKAPKMVSA-N	00000000101000110101100000000010000000000000000000000000	31-01-154000
C=CCn1c(=O)c(=Cc2ccc(o2)c2ccc(cc2)[N+](=O)[O-])sc1=C(c1nnc2n1CCCCC2)C#N	MCULE-3414060437,EMOLS-id_300236638,PC-id_4140448	514.556	NBFBAXRJEZCLCG-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-154001
C=CCn1c(=O)/c(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/s/c/1=C(/c1nnc2n1CCCCC2)C#N	PC-id_2314639,CoCoCo_3610906	514.556	NBFBAXRJEZCLCG-AILCBCOOSA-N	00000000101000110101100000000010000000000000000000000000	31-01-154002
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1oc(cc1)c1ccc([N+](=O)[O-])cc1)CC=C	PC-id_2314640	514.556	NBFBAXRJEZCLCG-AFOAEFFNSA-N	00000000101000110101100000000010000000000000000000000000	31-01-154003
O=C(Cc1cnc(o1)C)N=CC1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451903	514.561	QEVPDQUMTKBMOB-ZYMOGRSISA-N	00000000100010000101000000000010000000000000000000000000	31-01-154004
O=C(N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1cccnc1	SCHEMBL21042369,PC-id_138671944	514.561	JXMLMQSFCOIQKU-DLBZAZTESA-N	00000000100010101101000000000010000000000000000000000000	31-01-154005
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(c(c1C(=O)N(C)C)C)C(=O)OCCC	PC-id_19523639	514.561	WOSJZZVMNSUSOW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-154006
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c(c3-c(c2C(=O)O)ccccc3)Cc2ccccc2)ccc1	PC-id_72423686	514.566	SRWPQMZANHPQJZ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-154007
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2c(c3-c(c2C(=O)O)ccccc3)Cc2ccccc2)ccc1	PC-id_58786201,SCHEMBL14590123	514.566	SRWPQMZANHPQJZ-TWZZTNFBSA-N	00000010100010110110100000000010000000000000000000000000	31-01-154008
Cc1ncccc1C(=O)N[C@H]1CC[C@](F)(CCN2CCc3nc(OCC(F)(F)F)sc3CC2)CC1	SCHEMBL21041146,BindingDB-id_989456	514.579	PNKHRDPVHPGEHT-LBEPJEHYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-154009
O=C(c1cccnc1C)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670793	514.579	PNKHRDPVHPGEHT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-154010
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)OCCN1CCOCC1)F)C	SCHEMBL19702830	514.589	OKSNJFVZXRRRRK-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-154011
Cc1c(cccc2-c1c[n+](n2)CC1CCN(CC1)C(=O)c1ccc(cc1)c1ccno1)C(=O)NCCOC	PC-id_137285152	514.595	TTYPVIMMDGBHMG-UHFFFAOYSA-O	00000010100010110111100000000010000000000000000000000000	31-01-154012
O=C(Cc1cnc(o1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC(C(F)(F)F)C	PC-id_138670378	514.604	FGFRGAFXIDVVTO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154013
O=C(Cc1cnc(o1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OC(C(F)(F)F)C	SCHEMBL21040717	514.604	FGFRGAFXIDVVTO-DNLFPKPLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154014
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)OCCC)OCCC	PC-id_19102836,SCHEMBL9339130	514.612	SKZWTNSXVISKPX-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-154015
C/C=CC=C
/C(=C)N(CCc2c1nc([nH]2)C)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	PC-id_142078632	514.617	FNGOSJIJAGITGZ-FDYGHEQQSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154016
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(n2c(nnc2SC)C)cc1)C(=O)OC	PC-id_23971684	514.617	JVKVZYFOJHWGNH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154017
CS(=O)(=O)c1cccc(c1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)NCCN1CCNC1=O	PC-id_89125913	514.62	AEEXZIQSPVKOMF-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-154018
O=C1NCCN1CCNC(=O)c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1cccc(c1)S(=O)(=O)C	SCHEMBL13591947	514.62	AEEXZIQSPVKOMF-HOBPXYMBSA-N	00000010100000110111000000000010000000000000000000000000	31-01-154019
s1c2c(CCCCC2)c(c1NC(=S)NCCCn1nc(cc1C1CC1)C(F)(F)F)C(=O)OCC	PC-id_20174878	514.627	XKWVHMXSIGXNET-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-154020
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1nc(cc1C1CC1)C(F)(F)F)C(=O)OC	PC-id_20174871	514.627	ZPHMALXRVODCMC-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-154021
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(F)cc1)CC=C)C(=O)OCC	PC-id_19729762	514.635	BDAPRLCVEIJZSF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154022
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(F)cc1)CC=C)C(=O)OC	PC-id_19729722	514.635	GUWSWDVVBIUJFT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154023
CC(CC(C(=O)NC1Cc2cnsc2CCCCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21111308,PC-id_138732016	514.637	WSBNDMZHECBNRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154024
CC(CC(C(=O)NC1CCc2cnsc2CCCCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	PC-id_138731262,SCHEMBL21110422	514.637	SSUZBRUSIGTESF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154025
CC(CC(C(=O)NC1CCCCc2csnc2CCNC(=O)C1=O)NC(=O)OCc1ccccc1)C	SCHEMBL21109797,PC-id_138730642	514.637	VMVPSIBDMZQTKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154026
ONC(=O)[C@H]1[C@H](CCc2cc(C)cc(c2)C)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966450	514.657	KFRHRVMYESQCJT-ILBGXUMGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154027
S(=O)(=O)(N1C(C(CCc2cc(cc(c2)C)C)c2c(scc2)CC1)C(=O)NO)c1ccc(OC)cc1	PC-id_53992276	514.657	KFRHRVMYESQCJT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154028
S(=O)(=O)(N1[C@@H]([C@@H](CCc2cc(cc(c2)C)C)c2c(scc2)CC1)C(=O)NO)c1ccc(OC)cc1	PC-id_57004888	514.657	KFRHRVMYESQCJT-ZCYQVOJMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154029
COc1ccccc1N1CCN(CC1)CCCCCn1ccc2c1C(=O)N(CCC2=O)Cc1ccccc1	PC-id_20085261,SCHEMBL6989882	514.658	KGGDMUKYSPASCT-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-154030
C[C@H]1CN(C(=O)CCCn2c(cnn2)CO[C@@H]1CN(C)C(=O)Nc1ccc(cc1)C(C)(C)C)[C@@H](C)CO	PC-id_134829008	514.66	JAQAZMIPBREYNO-MZLICYQSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154031
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_75036260	514.66	APMQHRQBDHMONS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154032
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	CHEBI:113333,PC-id_44505618	514.66	APMQHRQBDHMONS-ROKPMTFOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154033
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	CHEBI:95611,PC-id_44505840	514.66	APMQHRQBDHMONS-YOSAUDMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154034
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	CHEMBL1870759,PC-id_44505617	514.66	APMQHRQBDHMONS-REHUZNOOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154035
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_44494485,CHEBI:113274	514.66	APMQHRQBDHMONS-SKPFHBQLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154036
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_44496399,CHEBI:96700	514.66	APMQHRQBDHMONS-NMMYMHLASA-N	00000000100000110101000000000010000000000000000000000000	31-01-154037
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_44496400,CHEBI:95583	514.66	APMQHRQBDHMONS-JXALWOEJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154038
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_44505206	514.66	APMQHRQBDHMONS-DCLXLUIPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154039
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_44505848	514.66	APMQHRQBDHMONS-MZLICYQSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154040
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_44484530	514.66	JAQAZMIPBREYNO-DCLXLUIPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154041
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_44485073	514.66	JAQAZMIPBREYNO-NMMYMHLASA-N	00000000100000110101000000000010000000000000000000000000	31-01-154042
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_44485760	514.66	JAQAZMIPBREYNO-JXALWOEJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154043
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_44485762	514.66	JAQAZMIPBREYNO-YOSAUDMPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154044
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_44486365	514.66	JAQAZMIPBREYNO-SKPFHBQLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154045
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_44486970	514.66	JAQAZMIPBREYNO-ROKPMTFOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154046
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	PC-id_44488702	514.66	JAQAZMIPBREYNO-REHUZNOOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154047
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(cc1)C)C(=O)OC	PC-id_17304534	514.66	HZPBOJWSGOEABO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154048
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C)C(=O)OC	PC-id_21165197	514.66	ILJSIXILZMJKGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154049
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccccc1)C(=O)OCC	PC-id_19733279	514.66	OPLRUFUSDIAOCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154050
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC)C(=O)OCC	PC-id_19730825	514.66	RXWLEJKCODKFBJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154051
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC)C(=O)OC	PC-id_19732267	514.66	OHTKMLVDYKAYLW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154052
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)C)C(=O)OCC	PC-id_19732234	514.66	RTJQZNWWNJDUPH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154053
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)CC)C(=O)OCC	PC-id_19730643	514.66	LVDUACNVVXSULQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154054
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)CC)C(=O)OCC	PC-id_19730429	514.66	BGQRUNMVICQTNI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154055
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC)C(=O)OC	PC-id_17302029	514.66	IPDOKFCCCCVWJN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154056
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)C)C(=O)OCC	PC-id_17302021	514.66	LJBKJMJJHJYTQM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154057
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC)C(=O)OC	PC-id_17270451	514.66	KPGSLCQBWADWQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154058
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)C)C(=O)OCC	PC-id_20123810	514.66	MUEHIAZNABRDOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154059
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC)C(=O)OC	PC-id_19634895	514.66	JLXRNNVQFBCLSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154060
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCc1cc(OC)ccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_57309615	516.63	PVPNMNQTZSKOEQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154277
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)C)C(=O)OC	PC-id_19635775	514.66	GDZHEISKBASCEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154061
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)C)C(=O)OC	PC-id_19636125	514.66	WNZCFIAYRRQBQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154062
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)C)C(=O)OC	PC-id_19636483	514.66	ZUPHBEZONSGTDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154063
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)C)C(=O)OC	PC-id_19643340	514.66	WOUZJLACEBUOKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154064
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)C)C(=O)OC	PC-id_20128701	514.66	UFDHCCXHXHULOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154065
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC)C(=O)OC	PC-id_21164982	514.66	GCYLVKQJTWNCMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154066
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)C)C(=O)OC	PC-id_21165561	514.66	ATPNBCLDACTBBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154067
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)C)C(=O)OC	PC-id_21165895	514.66	OANOTUAETCLANH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154068
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)C)C(=O)OC	PC-id_21166197	514.66	MTRDSRDQAQNUCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154069
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)C)C(=O)OCC	PC-id_19634864	514.66	KTFADCAWDOXLQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154070
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)C)C(=O)OCC	PC-id_21164946	514.66	YKQBKVUDVDQRTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154071
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)C)C(=O)OCC	PC-id_21165161	514.66	AXFLVIYDCFBXEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154072
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)C)C(=O)OCC	PC-id_21165381	514.66	SPZAZYVNSUIPOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154073
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)C)C(=O)OC	PC-id_19632092	514.66	MORABRXBXYIXEO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154074
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccccc1)C(=O)OC	PC-id_19733243	514.66	IHGAZMRGVISWJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154075
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC)C(=O)OC	PC-id_19730790	514.66	GKCVKJISUJTURE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154076
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)C)C(=O)OC	PC-id_19732166	514.66	VCXIFKQJODYSKM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154077
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)CC)C(=O)OC	PC-id_19730596	514.66	MWKDPMVWVPMGDF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154078
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)CC)C(=O)OC	PC-id_19730394	514.66	BHZWLDIECHAUCP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154079
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)C)C(=O)OC	PC-id_19731814	514.66	UKGLWEIRJSNTEL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154080
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)C)C(=O)OC	PC-id_20123751	514.66	ZNOYMGXVFNIZAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154081
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)C)C(=O)OC	PC-id_19634797	514.66	SBXPQDOKCOVOMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154082
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)C)C(=O)OC	PC-id_21164912	514.66	PPBPNWVJMRAZNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154083
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)C)C(=O)OC	PC-id_21165122	514.66	NRKWRLFVCDMEST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154084
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)C)C(=O)OC	PC-id_21165343	514.66	KTUFTRZCMGYWER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154085
c1(NC(=O)c2ccc(cc2)C(=O)Nc2sc3c(CCCCC3)c2C#N)sc2c(CCCCC2)c1C#N	CoCoCo_6787410,SPECS-id_AK-968/15252016,MCULE-4716798547,ZINC22_2751514,TIMTEC332547,PC-id_4204911,GD-id_ZINC02751514,EMOLS-id_4179099	514.662	NINJEIZOYMTPOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154086
O=C(N1CC[C@@H](C1)NC1=N[C@@H](CNc2c1nn(c2)CCc1ccccc1)Cc1ccccc1)OC(C)(C)C	SCHEMBL3467662,PC-id_46840853	514.662	QCWSPMHXZOVOOF-LOSJGSFVSA-N	00000010100000110111000000000010000000000000000000000000	31-01-154087
OC(=O)N1CCC([C@@H]1C(C)(C)C)NC1=N[C@@H](CNc2c1nn(c2)CCc1ccccc1)Cc1ccccc1	PC-id_68654168,SCHEMBL3467672	514.662	BICUDZUMHFNMMM-GJQXLMDHSA-N	00000010100000110111000000000010000000000000000000000000	31-01-154088
O(C(=O)N1CC(NC2=NC(CNc3c2nn(c3)CCc2ccccc2)Cc2ccccc2)CC1)C(C)(C)C	PC-id_75217813	514.662	QCWSPMHXZOVOOF-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-154089
OC(=O)N1C(C(NC2=NC(CNc3c2nn(c3)CCc2ccccc2)Cc2ccccc2)CC1)C(C)(C)C	PC-id_77534108	514.662	BICUDZUMHFNMMM-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-154090
s1c2CCCCCc2c(c1NC(=O)c1cc(C(=O)Nc2sc3CCCCCc3c2C#N)ccc1)C#N	PC-id_3527753	514.662	LLVYTRFQLWOFFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154091
s1c2CCCCCc2c(c1NC(=O)c1c(C(=O)Nc2sc3CCCCCc3c2C#N)cccc1)C#N	PC-id_5196907	514.662	WTUJPKJAMZNHJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154092
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)CCC(F)(F)F	PC-id_138671387	514.67	AWOFZPXUSRQCMK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154093
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)CCC(F)(F)F	SCHEMBL21041770	514.67	AWOFZPXUSRQCMK-IYARVYRRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154094
C#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1OCC	ZINC22_408970598	514.678	JAYGYYFGZMEZQP-UZWMFBFFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154095
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1ccc(F)cc1)C)C(=O)OCC	PC-id_19677162	514.678	SSMIEOMCLVQPQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154096
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(F)ccc1)C)C(=O)OCC	PC-id_20171182	514.678	MNZQALRRCFHQGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154097
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(F)cccc1)C)C(=O)OCC	PC-id_20172320	514.678	NHHPXFZUZKSGCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154098
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2sccc2)ccc1)C)C(=O)OC	PC-id_18911087	514.68	VQPQNGHFJJXQJX-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-154099
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2sccc2)ccc1)C(=O)OCC	PC-id_18911121	514.68	YVQJGNFDIACYFZ-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-154100
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2sccc2)ccc1)C(=O)OC	PC-id_18911122	514.68	XCINTHDBNVAWSO-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-154101
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CCCCC2)ccc1)C)C(=O)OC	PC-id_18911747	514.7	OQOBJZHQJIPGRX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-154102
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C2CCCCC2)ccc1)C(=O)OCC	PC-id_18911781	514.7	ALPZQJJQMSOIRY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-154103
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CC2)ccc1)CC)C(=O)OCC	PC-id_18908912	514.7	VXSXRKIQDUACRW-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-154104
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C2CCCCC2)ccc1)C(=O)OC	PC-id_18911782	514.7	WFGIJNPIFJBXLZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-154105
C=C/C=CN(c1sc2c(c1CNC(=O)Nc1sc3c(c1C(=O)OCC)CCCCC3)CCNC2)C	PC-id_138565160,SCHEMBL20922762	514.703	WRYPQWYAFXVLEQ-NSIKDUERSA-N	00000000100010000100000000010010000000000000000000000000	31-01-154106
CC1CC(=CCCC(=O)OC(Cc2nc(cs2)CCCCC(=O)O1)C=C(C)C=CC=CCN(C)C)C	PC-id_88969715	514.72	LSPBUFXHEPVDFW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154107
CC1CC(=CC=CC(=O)OC(Cc2nc(cs2)CCCCC(=O)O1)CCC=CC(=CCN(C)C)C)C	PC-id_88969712	514.72	WSJRCLYLUVTSCW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154108
CN(C/C=C(/C=C/CCC1OC(=O)/C=CC=C(/C)CC(C)OC(=O)CCCCc2nc(C1)sc2)C)C	SCHEMBL12845079	514.72	WSJRCLYLUVTSCW-DLUIVOHNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154109
CN(C/C=C/C=C/C(=C/C1OC(=O)CC/C=C(C)/CC(C)OC(=O)CCCCc2nc(C1)sc2)/C)C	SCHEMBL12845084	514.72	LSPBUFXHEPVDFW-IOHCWGFTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154110
CN(C/C=C(/C=C/CCC1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CCCCc2nc(C1)sc2)C)C	SCHEMBL12779280	514.72	WSJRCLYLUVTSCW-PPFSWUHDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154111
CN(C/C=C/C=C/C(=C/[C@H]1OC(=O)CC/C=C(C)/C[C@H](C)OC(=O)CCCCc2nc(C1)sc2)/C)C	SCHEMBL12779432,PC-id_59343216	514.72	LSPBUFXHEPVDFW-HZPSOKRXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154112
CN(C/C=C(/C=C/CC[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CCCCc2nc(C1)sc2)C)C	SCHEMBL13297150	514.72	WSJRCLYLUVTSCW-VTWARWRJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154113
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C=CC(=O)OC(CC/C=C/C(=C/CN(C)C)/C)C2)/C)C)c1	PC-id_58173216	514.72	WSJRCLYLUVTSCW-FAWILTQZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154114
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C=CC(=O)O[C@H](CC/C=C/C(=C/CN(C)C)/C)C2)/C)C)c1	PC-id_58885285	514.72	WSJRCLYLUVTSCW-CKXCYAHLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154115
O(c1ccc(C(Cc2c3-c(c(cc3)C)cc(C(C)C)cc2)Cc2c3-c(c(cc3)C)cc(C(C)C)cc2)cc1)C	PC-id_639848	514.739	FDKOALMFAJWBDC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154116
CC1OCCN(C1)CC(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700517	514.925	NOQVDWPYVMZAKK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154117
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)CN2CCOCC2C)cc(c1)C(F)(F)F	PC-id_118875576,SCHEMBL17509133	514.925	NJYOTKYKZITDIY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154118
c1(c2CCCCCc2sc1NC(=O)c1ccc(c(OC)c1)OC)C(=O)Nc1c(OC)ccc(Cl)c1	ZINC22_2182424,CoCoCo_6968235,PC-id_1818446,EMOLS-id_22050019,SPECS-id_AP-064/40657060,MCULE-7411937755	515.021	BLXJFBQOCIAKCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154119
COCC(=O)NC1=NC2=C(S1)C(=O)C(CCC2)C(=O)C3=CN=C(C=C3)N[I-]C	PC-id_164057094	515.026	MYSJVEGNEKBWBJ-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-154120
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OCC(NS2=O)C(C=C)(C(F)(F)F)O	PC-id_154682239	515.075	XXLFQWRWDPKDTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154121
C[C@]1(C(=O)C(CCc2ncc(n12)S(=O)(=O)C)Cc1cc(cc(c1)Cl)Cl)Cc1ccc(cc1)C#N	PC-id_163890393	515.084	QBAKZEAOZBQNGH-OPEAARRCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154122
Cc1nc2c(n1CC1CC3C4CCC3(C1)N4CC[C@@H](c1ccc(s1)Cl)NC(=O)C)CCCCCC2	SCHEMBL20460903,PC-id_135294390	515.153	LVLPWKSQGMQLOR-NOHQBPEASA-N	00001010100100000101000000000010000000000000000000000000	31-01-154123
CC1=CN=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_149417775	515.189	YSNKCXRJPNADMC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154124
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_148538730	515.189	MRSXCSXMSQPNLH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154125
CC1=NC(=NO1)CC(=O)NC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F)F	PC-id_147765676	515.218	HEYGEKGBOXBVRP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154126
CC1=NN=C(O1)CC(=O)NC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F)F	PC-id_147629094	515.218	GFIWVFPRSFCUJU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154127
CC([C@H]1C(=O)NCCOCCOCC(=O)N[C@H](C2=NOC(=N2)[C@@H](NC(=O)N1)CC(=O)NC)CCO)O	PC-id_164782515	515.234	QZMVSJVBCOTDFM-APLJNEGISA-N	00000000100000000101000000000010000000000000000000000000	31-01-154128
CCOCCOCCNC(=O)COC1CCCCCC2=C1N=NN2CCOCCOCCOCCN	PC-id_164777207	515.332	KPJIYXRQSKBKNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154129
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N=C(N)N)cc1	PC-id_69067373,SCHEMBL4498061	515.344	PRIOLRMJKRFKFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154130
Brc1n(c2N(C(=O)CN(C(=O)c2n1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1	PC-id_460609,SCHEMBL5989589	515.401	RWMOLGBPFLVSFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154131
Brc1c2NC(=O)C(=Cc3[nH]c4CCCN(CCN5CCCCC5)C(=O)c4c3C)c2cc(F)c1	PC-id_25116293	515.418	PXMSUYXXSURNCO-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-154132
Fc1cc(Br)c2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCCC1)/C(=O)N2	SCHEMBL3138748	515.418	PXMSUYXXSURNCO-JXAWBTAJSA-N	00000010100010100100000000001010000000000000000000000000	31-01-154133
Ic1c2n(CCCCC2CCO[Si](C(C)(C)C)(C)C)c(c1)C(=O)C(F)(F)F	PC-id_76023093	515.424	KGZXNKFQKBMGQF-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-154134
Ic1c2n(CCCC[C@@H]2CCO[Si](C(C)(C)C)(C)C)c(c1)C(=O)C(F)(F)F	PC-id_53360447	515.424	KGZXNKFQKBMGQF-CYBMUJFWSA-N	00000000100000000100000000000010000000000000000000000000	31-01-154135
c1(NC(=O)c2cccc(c2)Cn2c(C)c(c(C)n2)Br)sc2c(CCCCCC2)c1C(=O)N	GD-id_ZINC00998125,SPECS-id_AK-968/12384286,MCULE-1313619118,TIMTEC389153,EMOLS-id_4179337,CoCoCo_5819455,ZINC22_998125,PC-id_1222456	515.466	PTTUMBCIVFTIOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154136
CCOC(=O)c1c2-c(n(/c/1=NN=C(/C(=O)OC)CC(=O)OC)/C(=CC(=O)OC)/C(=O)OC)ccccc2	PC-id_101599318	515.469	FSRHKOQXQVXAMC-PYXMBFBGSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154137
COCCC1=C(C(=O)OC(C)C)c2[nH]nc(c2C(CN1C(=O)c1ccc(c(c1)F)F)(C)C)C(F)(F)F	SCHEMBL19659348	515.473	UZUJGCXGZHPNHD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-154138
CCCCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C(/c1c(Br)cccc1NC)C=O)C	PC-id_145511768	515.486	OERKQAHPPPIUKX-KNTRCKAVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154139
O=C(CCC(F)(F)F)N=CC1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145452126	515.513	PMOABDLUFBNEFA-YSSOQSIOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154140
C1/C=C/C[C@H](NC(=O)c2csc(n2)N[C@H](C(=O)N[C@@H]1C(=O)NCC(=O)O)Cc1ccccc1)C(=O)O	PC-id_136673120	515.539	NGHPWTCPALDCAF-GHNZZDGLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-154141
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(c(c1C(=O)OCC)C)C(=O)OC(C)C	PC-id_19523628	515.546	DRXKKJFXGYSUSW-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-154142
s1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(c(c1C(=O)OCC)C)C(=O)OCCC	PC-id_19523637	515.546	QIRYHCVDEOZDCU-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-154143
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC(C(F)(F)F)C)CCC(F)(F)F	PC-id_138670734	515.556	LWTPGMIYXLWJEM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154144
O=C(N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OC(C(F)(F)F)C)CCC(F)(F)F	SCHEMBL21041078	515.556	LWTPGMIYXLWJEM-KURUOMIPSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154145
O=C(NCc1cc2OCOc2cc1)C1N(CCC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049867	515.56	REPFWDRJROJWIZ-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-154146
COc1cc(OC)ccc1CN1C(=O)C(CCn2c1cc(n2)C)NC(=O)c1ncn(n1)Cc1ccccc1	SCHEMBL18367103	515.564	AOCDYPRYBKBADI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154147
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1cnn(c1)C	PC-id_138671179	515.592	NDHBIDQRFBWJOW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154148
O=C(N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1cnn(c1)C	SCHEMBL21041550	515.592	NDHBIDQRFBWJOW-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154149
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC(F)F)cc1)CC=C)C#N	PC-id_19643222	515.599	SUCJTIJTCPZFOD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154150
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)C=Cc1ccccc1)C(=O)OCC	PC-id_4085390	515.602	FNXIBSYNLHFKCX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154151
CC1=C(C=CCc2nn(cc12)CC1CCN(CC1)C(=O)c1ccc(cc1)c1cnco1)C(=O)NCCOC	SCHEMBL19791548,PC-id_134188670	515.603	RLFIUTSBTNWBCJ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-154152
CC1C=C(C=Cc2nn(cc12)CC1CCN(CC1)C(=O)c1ccc(cc1)c1ncco1)C(=O)NCCOC	SCHEMBL19791478,PC-id_134188603	515.603	YEYVTOMABIAGNY-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-154153
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCn1ccc2c1C(=O)CCN(C2=O)Cc1ccccc1	PC-id_22011275,SCHEMBL6998210	515.618	FMBWCAZSEWMUDY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-154154
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCn1ccc2c1C(=O)N(CCC2=O)Cc1ccccc1	PC-id_19937381,SCHEMBL9038065	515.618	ZHWNELOOWXMLII-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-154155
OC(CCn1c2c(c(c1CC)C(=O)Nc1ccc(cc1)c1ccccc1)CC=CCC2)CC(O)CC(=O)[O-]	PC-id_75059351	515.62	RQUYKFJLHQWCPF-UHFFFAOYSA-M	00000000100000110110100000000010000000000000000000000000	31-01-154156
O[C@H](CCn1c2c(c(c1CC)C(=O)Nc1ccc(cc1)c1ccccc1)CC=CCC2)C[C@@H](O)CC(=O)[O-]	PC-id_44629673	515.62	RQUYKFJLHQWCPF-JWQCQUIFSA-M	00000000100000110110100000000010000000000000000000000000	31-01-154157
COC(=O)[C@H]1[C@H](CCc2cccc(c2)CO)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966439	515.642	KLKAMXBCGJRJCR-ILBGXUMGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154158
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccccc1)CC)C(=O)OCC	PC-id_53292957	515.645	WNZZJDNYQYRNIW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154159
c1cccc(CN(C)C(=O)CCN(CC(C)C)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)c1	EMOLS-id_25387266,PC-id_46049619,MCULE-8888708140	515.646	KQALFCUTYXTMRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154160
c1cccc(CN(C)C(=O)CCN(C(C)CC)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)c1	EMOLS-id_25387554,PC-id_46049661,MCULE-9550405763	515.646	LCTQVINXWFTDBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154161
CC[C@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)N(Cc1ccccc1)C)C	PC-id_93332350	515.646	LCTQVINXWFTDBI-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154162
CC[C@@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)N(Cc1ccccc1)C)C	PC-id_93332351	515.646	LCTQVINXWFTDBI-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154163
O=C1N(CCCn2nc(cc12)C(=O)N(CC(C)C)CCC(=O)NC(c1ccccc1)C)Cc1ccccc1	MCULE-2803419626,PC-id_46049916,EMOLS-id_25388554	515.646	WNTQFXQQAKFDOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154164
O=C1N(CCCn2nc(cc12)C(=O)N(CC(C)C)CCC(=O)NCCc1ccccc1)Cc1ccccc1	PC-id_46049920	515.646	NSRHIEVADKOCLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154165
O=C(N[C@H](c1ccccc1)C)CCN(C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)CC(C)C	PC-id_93332572	515.646	WNTQFXQQAKFDOS-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154166
O=C(N[C@@H](c1ccccc1)C)CCN(C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)CC(C)C	PC-id_93332573	515.646	WNTQFXQQAKFDOS-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154167
CCN1C(=O)/C(=Cc2cnn(C)c2C)/N=C1SCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	EMOLS-id_27336844,ZINC22_22840240,PC-id_19575992,TIMTEC535499	515.648	WVFLIUCUWLDBMK-GZTJUZNOSA-N	00000011100000000101000000000010000000000000000000000000	31-01-154168
N1(CC)C(=O)C(=Cc2cnn(C)c2C)N=C1SCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_71834710,MCULE-7928477304	515.648	WVFLIUCUWLDBMK-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-154169
c1(NC(=O)c2cccc(n2)C(=O)Nc2sc3c(CCCCC3)c2C#N)sc2c(CCCCC2)c1C#N	TIMTEC111203,MCULE-8889901366,CoCoCo_6803925,EMOLS-id_4179503,ZINC22_2749692,PC-id_4991845	515.65	CVSLQEJHWYLADC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-154170
c1(NC(=O)c2ccc(nc2)C(=O)Nc2sc3c(CCCCC3)c2C#N)sc2c(CCCCC2)c1C#N	MCULE-5624344577,TIMTEC224066,CoCoCo_6813144,PC-id_4134489,EMOLS-id_4179505,ZINC22_20479493	515.65	IRSJTHWSEZBFON-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-154171
CCN1CCCC(=C(C1)SCC(F)(F)F)C(=C)CNC(=O)Nc1sc2c(c1C=O)CCCCC2	PC-id_138564834,SCHEMBL20922413	515.655	YVXBSZIZXUOJBQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-154172
O=C(Cc1nnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)CCC(F)(F)F	PC-id_138671866	515.658	ZFZNVYFPNIQQEF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154173
O=C(Cc1nnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)CCC(F)(F)F	SCHEMBL21042290	515.658	ZFZNVYFPNIQQEF-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154174
CC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccccc1Cc1ccccc1)C(=O)O)C	PC-id_19914770,SCHEMBL9626698	515.663	MOWXMHKHNSAHJT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154175
CC(c1ccc2-c(cc1)c(cc2CCCCN(S(=O)(=O)c1ccccc1)Cc1ccccc1)C(=O)O)C	SCHEMBL9626705,PC-id_15020237	515.663	NOXRNMREQGVHJP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154176
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)ccc1OCC#N	ZINC22_408972637	515.666	TXMPBVOSRGDQCH-BIZUNTBRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154177
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)ccc1OCC#N	ZINC22_409016601	515.666	QMWUXYULILJMLT-BIZUNTBRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154178
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)ccc1OCC#N	ZINC22_409010590	515.666	CKLDCTVIDLDDGO-BIZUNTBRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154179
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)ccc1OCC#N	ZINC22_409020184	515.666	ZRSRYJONYABEIV-BIZUNTBRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154180
COc1ccccc1N1CC[NH+](CC1)CCCCCn1ccc2c1C(=O)N(CCC2=O)Cc1ccccc1	GLL_PC-id_20085261	515.666	KGGDMUKYSPASCT-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-154181
O=C(c1c(sc2c1CCCCC2)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCCCC1	SCHEMBL12057612,PC-id_44123676	515.688	DUELPBWTINORJK-OAQYLSRUSA-N	00000010100010110100000000000010000000000000000000000000	31-01-154182
O=C(c1c(sc2c1CCCCC2)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCCCC1	SCHEMBL12057619,PC-id_44197109	515.688	DUELPBWTINORJK-NRFANRHFSA-N	00000010100010110100000000000010000000000000000000000000	31-01-154183
OC([C@@H]1CCCN1S(=O)(=O)c1ccccc1)Nc1sc2c(c1C(=O)N1CCCCC1)CC=CCC2	PC-id_143831982	515.688	CLZCIOHLGOFSHE-XEGCMXMBSA-N	00000010100010110110000000000010000000000000000000000000	31-01-154184
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)Cc1cc2OCOc2cc1)C(=O)OCC	PC-id_19655375	515.688	YJKPIJIDFSXEQX-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-154185
S(C1NC(C(Cc2ccccc2)C(=O)N1)C)CC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_78370631	515.688	JRCLVVDIQJAPFR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154186
COc1nc(C)cc(c1CN1CCCc2c(C1=O)c(C)c(s2)C(C1CCN(CC1)CC(F)(C)C)C)C	SCHEMBL19553747	515.726	KSVQHAOGAAISHP-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-154188
COc1nc(C)cc(c1CN1CCCc2c(C1=O)c(C)c(s2)[C@@H](C1CCN(CC1)CC(F)(C)C)C)C	SCHEMBL19553746	515.726	KSVQHAOGAAISHP-HXUWFJFHSA-N	00000000100010101100000000000010000000000000000000000000	31-01-154189
N#CC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)Cc1cnc(s1)C)(C)C	PC-id_138670337	515.734	WNKPEWPVEUWGLJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154190
N#CC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)Cc1cnc(s1)C)(C)C	SCHEMBL21040675	515.734	WNKPEWPVEUWGLJ-MXVIHJGJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154191
CCOC(=O)c1sc(c2c1CC(CC(C2)NO)/C(=C/CC)/C=CCC)SCC(=C)/C=CC/C=CC	PC-id_145391289	515.771	QQKQHEYOOIOXFU-GBRUWYIBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-154192
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNc1ccc(cc1)C(=O)O)Cc1cc(ccc1)Cl	PC-id_134808998	515.991	CQMKXDUVJIUTAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154193
COC(=O)c1c(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)sc2c1CCCCC2	ZINC22_3374093,EMOLS-id_43792511,CoCoCo_3146685,MCULE-3635003847,PC-id_2491848	516.009	QBMNTWBRGDCJKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154194
Clc1sc(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)cc1	PC-id_3624524	516.011	CENVUMJILHSVMZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154195
COc1cccc(c1)C(=O)OC(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)Cl	PC-id_102526295	516.027	HSMKVXZBBKZPJP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154196
COc1ccccc1C(=O)OC(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)Cl	PC-id_102526301	516.027	XIWMFPQCKKICKA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154197
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNCc1cc(ccc1)Cl)CCOc1ccccc1	PC-id_134808300	516.034	BTMKGLHMYJGMLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154198
c1(NC(=S)NNC(=O)CSCc2ccc(cc2Cl)F)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_4179609,MCULE-9680567845,CoCoCo_6808592,TIMTEC180962,PC-id_17373220	516.072	GVRIWNYMVOEHIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154199
Clc1cc(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)c(OC)cc1	PC-id_19731592	516.079	RVNFGAUAVNUQGU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154200
Clc1c(cc(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc1)C	PC-id_17305532	516.079	DJHLIRHCGDCOSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154201
Clc1cc(c(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc1)C	PC-id_20121994	516.079	BBAMFHBQLLVNAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154202
Clc1ccc(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)cc1	PC-id_20121710	516.079	DGNDLACELCEULC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154203
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc1C)C	PC-id_19634459	516.079	BUERGBFOIGXGDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154204
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)C)cc1)C	PC-id_17302485	516.079	ISKLZTGAOCZYME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154205
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)C)cc1)C	PC-id_19641041	516.079	SBAIIXSQYZMVQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154206
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc1)C	PC-id_19634168	516.079	HLOXLQBQRZSZCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154207
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc1)C	PC-id_20121882	516.079	XWFZPDQYVCHQEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154208
Clc1cc(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)ccc1	PC-id_20122677	516.079	POIONVISQLDRQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154209
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)C)ccc1	PC-id_20122551	516.079	TVGLFQLMUATUCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154210
Clc1c(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc(cc1)C	PC-id_21164030	516.079	SGPHLBCIQYNRFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154211
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cccc1	PC-id_17306580	516.079	NZBZWDDINOIVSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154212
Clc1c(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)cccc1	PC-id_19631903	516.079	VAROQVLKIYRJCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154213
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)C)cc(cc1)C	PC-id_19635094	516.079	SFOXWDOQBZZHGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154214
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc(cc1)C	PC-id_20129027	516.079	OXQHDRUJMGTZEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154215
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)C)cccc1	PC-id_19638537	516.079	XQCFTNBVKHMHOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154216
Clc1nnc(Nc2ccc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_20167340	516.079	KDMINOUNRGBQPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154217
Clc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)OC(C)(C)C	PC-id_139605615	516.092	SYISEWGLMSVIMR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154218
CC1=C(SC2=C1SC[C@@H](C(=O)N2C)NC(=O)C3=NN=C(C3)CC4=CC=CC=C4)C#CC5=CN=CN5C	PC-id_164113209	516.14	PDJWSGOOSBPWPK-NRFANRHFSA-N	00000011100000110101000000000010000000000000000000000000	31-01-154219
C[N+]1(C(C(=O)NC2=C(C1=O)SC=C2)CC3=CC=CC=N3)CC4=C(C=C(C=C4)C(=O)NC5=CC=CC=N5)F	PC-id_164916601	516.15	NZUWMAXOVISVJE-UHFFFAOYSA-O	00000000100000111101000000000010000000000000000000000000	31-01-154220
Clc1c2-c(c(c1P(=O)(c1c(Cl)c3-c(c1Cl)ccccc3)c1ccccc1)Cl)ccccc2	PC-id_102085800	516.182	DFXUFSRDVLZZFH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154221
CC1=NN=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160165925	516.184	PCKLJRGIVPQXEH-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154222
CC1=NN=C(S1)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)F)F	PC-id_160615104	516.184	RFZHUTLFHWRZOW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154223
CC1=NSC(=N1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_161725536	516.184	XJDRIZWRIXFEOX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154224
O=C(c1ccc(o1)C(=O)O[Al]1OC(=O)c2ccc(C(=O)O1)o2)O[Al]1OC(=O)c2ccc(C(=O)O1)o2	PC-id_140870865	516.194	PGKBUTZQVPAHLV-UHFFFAOYSA-H	00000000101000000101000000000010000000000000000000000000	31-01-154225
O=C(c1occc1C(=O)O[Al]1OC(=O)c2c(C(=O)O1)cco2)O[Al]1OC(=O)c2c(C(=O)O1)cco2	PC-id_140909329	516.194	YQPINMXSOPGAKH-UHFFFAOYSA-H	00000000101000000101000000000010000000000000000000000000	31-01-154226
O=C(c1[nH]ncc1C(=O)O[Al]1OC(=O)c2c(C(=O)O1)cn[nH]2)O[Al]1OC(=O)c2c(C(=O)O1)cn[nH]2	PC-id_142514279	516.204	GKZNCHXAPFOEMN-UHFFFAOYSA-H	00000000100000000101000000000010000000000000000000000000	31-01-154227
O=C(c1n[nH]c(c1)C(=O)O[Al]1OC(=O)c2n[nH]c(C(=O)O1)c2)O[Al]1OC(=O)c2n[nH]c(C(=O)O1)c2	PC-id_140870864	516.204	FJHWEASLZWXWFQ-UHFFFAOYSA-H	00000000100000000101000000000010000000000000000000000000	31-01-154228
CN1C(=C(C=N1)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)F)F)F	PC-id_160592184	516.218	RDEDHIYBUCPAMB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154229
CN1C=C(C=N1)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F	PC-id_161652262	516.218	WZWYTQPBBRHHCL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154230
CN1C=C(C(=N1)F)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160211699	516.218	PIBICWIGUOULBY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154231
CN1C=C(C(=N1)F)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)F)F	PC-id_160824559	516.218	SFZIWYQNXHYECP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154232
CC(COC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)C4=C5C=CC=CN5N=C4)(F)F	PC-id_160147411	516.237	RZUMMXURXUVWMD-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154233
CN1C2=C(C=CC(=C2)C(=O)CC3CCC(CC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)F)C=N1	PC-id_161465411	516.237	WCJBAGMYDUNDMH-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154234
CN1C=C2C=CC(=CC2=N1)C(=O)CC3CCC(CC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)F	PC-id_161876900	516.237	YCIUSCYZVBEFIR-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154235
CCOC(=O)c1c(Nc2ccc(cc2F)I)sc2c1CC(C)(C)CN(C2=O)C	SCHEMBL4497369,PC-id_69067034	516.368	PLLJYEDDLYBORV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154236
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCN)Nc1c(cc(cc1)I)F)C	PC-id_90998713	516.371	QRQQYKOZBWDSKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154237
C1CCc2c(CC1)sc(c2C(=O)Nc1ccccc1OC(F)(F)F)NC(=O)C(C(F)(F)F)(F)F	PC-id_137634955	516.405	XXGPMSZQAGKGKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154238
Fc1ccc(cc1)Cn1c(Oc2cccc(c2)OC(F)(F)F)nc2c1COOCN2Cc1ccccn1	SCHEMBL16363963,PC-id_117793952	516.444	KGIBEUOFJNMVHJ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-154239
Brc1ccc(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc1	PC-id_17264332	516.477	VCYLVNXANDPWIK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154240
CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)OC)CCCCC2)NC(=O)c1ccccc1F	PC-id_3700862,STOCK1S-69977,EMOLS-id_4403825,MCULE-1018775609	516.506	ORQLQODOGCVFJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154241
CCOC(=O)[C@](NC(=O)c1ccccc1F)(Nc1sc2c(c1C(=O)OC)CCCCC2)C(F)(F)F	PC-id_1903024,ZINC22_2278502	516.506	ORQLQODOGCVFJW-QFIPXVFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154242
CCOC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1sc2c(c1C(=O)OC)CCCCC2)C(F)(F)F	PC-id_1903025,ZINC22_2278503	516.506	ORQLQODOGCVFJW-JOCHJYFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154243
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cc(Oc2c(c(cc(c2)C)C)C)cc([N+](=O)[O-])c1	PC-id_19523702	516.512	MRPNLDRZKCDYIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154244
c12C(=O)CNC=Nc1n(cn2)C[C@@H]1C[C@H]([C@@H](COC(=O)c2ccc(cc2)C)O1)OC(=O)c1ccc(cc1)C	EMOLS-id_42780448,MCULE-1013068274,PC-id_74888817	516.545	XZJTYFMVSOACLM-QPTUXGOLSA-N	00000010100000110111000000000010000000000000000000000000	31-01-154245
COc1cc(cc(c1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1F)OC	PC-id_134806565	516.563	LZJAGPNGPVTUPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154246
COc1c(cc(cc1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1F)OC	PC-id_134806624	516.563	GEUUGHHSGRQRAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154247
FCCCSNC1=Cc2[nH]c(cc2C=C(C1)OF)C(=O)c1cnn(c1N)C1C=CN=C(C=C1C)OC	PC-id_145211974	516.563	FBOJRKCNWGUVKE-UHFFFAOYSA-N	00000000100000000111100000000010000000000000000000000000	31-01-154248
CNC(=O)[C@H](N1CCCc2c([C@@H]1CCc1ccc(cc1F)C(F)(F)F)c(C)nn2CC)c1ccccc1	PC-id_24771003,SCHEMBL3137158	516.573	CUEIVMDDARZORX-JYFHCDHNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154249
CNC(=O)[C@H](N1CCCc2c([C@H]1CCc1ccc(cc1F)C(F)(F)F)c(C)nn2CC)c1ccccc1	PC-id_68528514,SCHEMBL3146779	516.573	CUEIVMDDARZORX-ZEQKJWHPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154250
CNC(=O)C(N1CCCc2c(C1CCc1ccc(cc1F)C(F)(F)F)c(C)nn2CC)c1ccccc1	PC-id_68527604,SCHEMBL3143962	516.573	CUEIVMDDARZORX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154251
CC1=CNC(O1)CC(=O)N=CC1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451816	516.577	WQFCFQXIGUYLTL-BQIYRTECSA-N	00000011100010000101000000000010000000000000000000000000	31-01-154252
COc1noc(c1)CC(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670373	516.577	BLEDXIVAOIGWJZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154253
COc1noc(c1)CC(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21040712	516.577	BLEDXIVAOIGWJZ-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-154254
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1noc(c1)C	PC-id_138671155	516.577	JFZCPJZNQDBJQT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154255
O=C(N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1noc(c1)C	SCHEMBL21041526	516.577	JFZCPJZNQDBJQT-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154256
s1c2CCCCCc2c(c1NC(=O)COC(=O)C(=Cc1c(n(c(c1)C)c1c(F)cccc1)C)C#N)C#N	PC-id_4965233	516.587	DJCOGIMNMBXKCC-UHFFFAOYSA-N	00000000110000110100100000000010000000000000000000000000	31-01-154257
s1c2CCCCCc2c(c1NC(=O)COC(=O)/C(=C/c1c(n(c(c1)C)c1c(F)cccc1)C)/C#N)C#N	PC-id_6532951	516.587	DJCOGIMNMBXKCC-DEDYPNTBSA-N	00000000110000110100100000000010000000000000000000000000	31-01-154258
Cn1cc2c(n1)cccc2C(=O)NC1CCC(CC1)CCN1CCn2c(CC1)cc(n2)CCC(F)(F)F	PC-id_138671164	516.602	SZXLJVFXNINNCQ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154259
Cn1cc2c(n1)cccc2C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCn2c(CC1)cc(n2)CCC(F)(F)F	SCHEMBL21041535	516.602	SZXLJVFXNINNCQ-MXVIHJGJSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154260
C=CC/C=CC(=C/C)COC1=CC=c2c(=CC1)cc(o2)C(=O)/C(=C/C/C=C(/NC(=O)OC)C)/NC(=C)C=C	SCHEMBL20762635,PC-id_137516986	516.628	KWZSGXWIYVUTKW-TZWPQUEFSA-N	00000000100000000110000000000010000000000000000000000000	31-01-154261
OC(CCn1c2c(c(c1CC)C(=O)Nc1ccc(cc1)c1ccccc1)CC=CCC2)CC(O)CC(=O)O	PC-id_74323005	516.628	RQUYKFJLHQWCPF-UHFFFAOYSA-N	00000000100000110110100000000010000000000000000000000000	31-01-154262
O[C@H](CCn1c2c(c(c1CC)C(=O)Nc1ccc(cc1)c1ccccc1)CC=CCC2)C[C@@H](O)CC(=O)O	PC-id_24812715	516.628	RQUYKFJLHQWCPF-JWQCQUIFSA-N	00000000100000110110100000000010000000000000000000000000	31-01-154263
COc1ccc(cc1)CC[C@@H]1c2ccsc2CCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(cc1)OC	PC-id_139966493	516.63	IXASLPKSTZBQAJ-ISKFKSNPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154264
COc1ccc(cc1)S(=O)(=O)N1CCc2c([C@H]([C@@H]1C(=O)NO)CCc1cccc(c1)OC)ccs2	PC-id_139966494	516.63	PVPNMNQTZSKOEQ-ISKFKSNPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154265
ONC(=O)[C@H]1[C@H](CCc2cccc(c2)CO)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966471	516.63	PGKAFXATROZEEX-ISKFKSNPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154266
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/C(=O)O)ccc1)CC)C(=O)OC	PC-id_18898157	516.63	XIZNOJMZLAOSKI-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154267
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=CC(=O)O)ccc1)CC)C(=O)OC	PC-id_73470128	516.63	XIZNOJMZLAOSKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154268
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/C(=O)O)ccc1)C)C(=O)OCC	PC-id_18898092	516.63	WDALRRWZYGUJJW-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154269
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=CC(=O)O)ccc1)C)C(=O)OCC	PC-id_73470063	516.63	WDALRRWZYGUJJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154270
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/C(=O)O)ccc1)C)C(=O)OC	PC-id_18898093	516.63	RMGTUNLWWAAPDX-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154271
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=CC(=O)O)ccc1)C)C(=O)OC	PC-id_73470064	516.63	RMGTUNLWWAAPDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154272
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C=C/C(=O)O)ccc1)C(=O)OCC	PC-id_18898127	516.63	FSADLYFNSWTOLM-OUKQBFOZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154273
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C=CC(=O)O)ccc1)C(=O)OCC	PC-id_73470098	516.63	FSADLYFNSWTOLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154274
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCc1cc(ccc1)CO)C(=O)NO)c1ccc(OC)cc1	PC-id_76414972	516.63	PGKAFXATROZEEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154275
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCc1ccc(OC)cc1)C(=O)NO)c1ccc(OC)cc1	PC-id_76414306	516.63	IXASLPKSTZBQAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154276
S(=O)(=O)(N1CC(c2c(scc2)CC1C(=O)NO)CCc1cc(ccc1)CO)c1ccc(OC)cc1	PC-id_53641116	516.63	AGCFPWDBJCSPEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154278
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)CCc1cc(ccc1)CO)C(=O)NO)c1ccc(OC)cc1	PC-id_57099689	516.63	PGKAFXATROZEEX-UPVQGACJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154279
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)CCc1ccc(OC)cc1)C(=O)NO)c1ccc(OC)cc1	PC-id_57095528	516.63	IXASLPKSTZBQAJ-UPVQGACJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154280
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)CCc1cc(OC)ccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_57239631	516.63	PVPNMNQTZSKOEQ-UPVQGACJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154281
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCN(CC2)C(=O)OCC)sc2c(CCCCC2)c1C#N	GD-id_ZINC09404826,CoCoCo_5016050,ZINC22_9404826,PC-id_3567730,MCULE-2083442711,EMOLS-id_5472380	516.633	NWFURGPXOAXZHC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154282
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1occc1)C(=O)OC	PC-id_19724065	516.633	IMZZBHYKUGHRRU-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-154283
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)C)C(=O)OC	PC-id_19730905	516.633	MVGCDSPARSJAFQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154284
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)C)C(=O)OC	PC-id_19633283	516.633	JRJKPKBVOQLZJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154285
CNC(=O)NCc1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1cc[nH]2)NC(=O)CC(N)(C)C	PC-id_22870091,SCHEMBL8910620	516.635	BHSHIAAMQXPIHO-XMMPIXPASA-N	00000000100000110100100000000010000000000000000000000000	31-01-154286
O=C1N(c2c([nH]cc2)CCC1NC(=O)CC(N)(C)C)Cc1ccc(cc1)c1c(CNC(=O)NC)cccc1	PC-id_19067052	516.635	BHSHIAAMQXPIHO-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-154287
O=C1N(CCCn2nc(cc12)C(=O)N(CC(C)C)CCC(=O)NCCc1ncccc1)Cc1ccccc1	PC-id_46049910	516.635	SHXFGNJSQDZPCO-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-154288
CN1c2c(C(=O)N(/C(=C/N=C)/C/1=NCNc1ccc(cc1)S(=O)(=O)N1CCC(CC1)O)C)scc2	PC-id_137397034,SCHEMBL20628479	516.636	SXASHWHFHLUEGA-SZRXWLDKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154289
Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)s1	SCHEMBL21042307,BindingDB-id_989511	516.643	HNKSCJOZAQWYMZ-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154290
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671883	516.643	HNKSCJOZAQWYMZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154291
O=C(Cc1csc(n1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671254	516.643	CPMXPYOCXRSVQO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154292
O=C(Cc1csc(n1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041630	516.643	CPMXPYOCXRSVQO-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154293
O=C(Cc1ncc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671941	516.643	OYAWUZKNTRJSCD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154294
O=C(Cc1ncc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21042366	516.643	OYAWUZKNTRJSCD-QAQDUYKDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154295
c1(NC(=O)CCC(=O)N2CCN(CC2)Cc2ccc(c(OC)c2OC)OC)sc2c(CCCCC2)n1	EMOLS-id_334763863,MCULE-5058968139	516.653	QNNMWQZWHVYXPY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154296
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccccc1)CC)C(=O)OCC	PC-id_53292958	516.653	WNZZJDNYQYRNIW-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-154297
Cc1cc(ccc1CNC(=O)c1cnc(s1)C(C)(C)C)c1ncnc(c1)Nc1nn2c(c1)CNCCC2	SCHEMBL16794310,PC-id_118139646	516.661	SPUNUXKOAXFNKX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154298
CC/C=C(/CCOCNC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)C=N	PC-id_145451968	516.663	MHHGUDCYPCWTLC-OWHNVIKBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154299
CCOC1CCN(C(=O)c2c1n(cc2)Cc1ccccc1)CCCN1CCN(CC1)c1ccc(cc1)OC	PC-id_22737903,SCHEMBL6779853	516.674	OIBPKPDPTRBUNL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-154300
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)N)C(=O)N	PC-id_5189346	516.676	OEXJJTUOZCCAPP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-154301
s1cc2c(c1)OC(CC(O2)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1	PC-id_57822889,SCHEMBL1796233	516.692	QIKYFEHUHNJKOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154302
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc(OCC)c1O	ZINC22_409010660	516.694	DBPBRTHXRGEYFV-BIZUNTBRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154303
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(OCC)c1O	ZINC22_409016605	516.694	QNRMKBKOZGUXEP-BIZUNTBRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154304
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)cc(OCC)c1O	ZINC22_409016630	516.694	QYEIADSPGSBRDW-BIZUNTBRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154305
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)cc(OCC)c1O	ZINC22_409016656	516.694	RBZDTVMZRCOTNE-BIZUNTBRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154306
CCOc1cc(cc(c1O)CC=C)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1cccc(c1C)C	PC-id_137023083	516.694	DBPBRTHXRGEYFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154307
CCOc1cc(cc(c1O)CC=C)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1c(ccc(c1)C)C	PC-id_137047294	516.694	QNRMKBKOZGUXEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154308
CCOc1cc(cc(c1O)CC=C)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1cc(c(cc1)C)C	PC-id_137047297	516.694	QYEIADSPGSBRDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154309
CCOc1cc(cc(c1O)CC=C)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1cc(cc(c1)C)C	PC-id_137047299	516.694	RBZDTVMZRCOTNE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154310
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC=C)C(=O)OC	PC-id_19718733	516.699	SSIVTKOYIGZZHR-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154311
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC=C)C(=O)OC	PC-id_19721031	516.699	CGZBSVUHBLQHFX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154312
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC=C)C(=O)OCC	PC-id_19717959	516.699	RGVCCCBQBDDPQF-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154313
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)CC=C)C(=O)OCC	PC-id_17303800	516.699	MJKQRBYCLXRHPL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-154314
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C)CC=C)C(=O)OC	PC-id_19717859	516.699	GAYCHMXFCJNQLZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154315
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1sccc1)CC=C)C(=O)OC	PC-id_20127616	516.699	HIOSHOXMGKSCCJ-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-154316
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCCC)ccc1)CC)C(=O)OCC	PC-id_18909702	516.716	JZZFLVKVIPADOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154317
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CC(C)(C)C)ccc1)CC)C(=O)OC	PC-id_18911681	516.716	YUHDGGCTIRWXOP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154318
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CC(C)(C)C)ccc1)C)C(=O)OCC	PC-id_18911616	516.716	LDNPCDYYFWAYNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154319
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC)ccc1)CC)C(=O)OCC	PC-id_18909044	516.716	YNLLNVOBXIHJOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154320
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCCC)ccc1)CC)C(=O)OC	PC-id_18909703	516.716	FBPRTYWYZHRZAC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154321
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCCC)ccc1)C)C(=O)OCC	PC-id_18909638	516.716	DTYRNRKNFPRZCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154322
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CC(C)(C)C)ccc1)C)C(=O)OC	PC-id_18911617	516.716	VPFZGOABNLTVSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154323
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CC(C)(C)C)ccc1)C(=O)OCC	PC-id_18911651	516.716	MUPPRYRPLSGXSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154324
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)nnc1CCC1CCCCC1	GD-id_ZINC14104676,PC-id_20125991	516.719	BZHWSVHKFBEKNK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154325
C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)nnc1CC1CCCCC1	GD-id_ZINC14116908,PC-id_20128665	516.719	FLNJFHCBOYCSKX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154326
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)CC1CCCCC1)CC=C)C(=O)OC	PC-id_20128590	516.719	KGZFSKQCCBVCER-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154327
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1ccccc1	PC-id_137051474	516.737	VIYQLKJERWGTKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154328
CC(C)(C)c1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(C(C)(C)C)c1O	ZINC22_408972571	516.737	VIYQLKJERWGTKL-FMFFXOCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154329
CC(OCN1CC=Cc2c(C1=O)n(c(c2)COS(=O)(=O)C)COC(C)[Si](C)(C)C)[Si](C)(C)C	PC-id_88210351,SCHEMBL7846781	516.799	VVMDBZFHCQGLEK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-154330
C[Si](C)(C)CCOCN1CC=Cc2c(C1=O)n(c(c2)COS(=O)(=O)C)COCC[Si](C)(C)C	SCHEMBL7846782,PC-id_88210352	516.799	KMKOLEFIWZCGHE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-154331
O=C1N(COCC[Si](C)(C)C)CC=C(c2c1n(COCC[Si](C)(C)C)cc2)COS(=O)(=O)C	SCHEMBL7846780	516.799	IOAFFSNXUUNLPK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-154332
s1c2CCCCCCCCCCc2nc1NCC(=O)Nc1sc2CCCCCCCCCCc2n1	PC-id_30377077	516.805	CQNVQIGEDAFSKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154333
Clc1ccc(cc1)NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(C(C(F)(F)F)(F)F)(F)F	PC-id_11511902,SCHEMBL4138557	516.86	KIMYLXBSSHKZEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154334
CCCCCCC1(CCCCCC)COc2c(OC1)c(sc2C#C[Si](C)(C)C)C#C[Si](C)(C)C	SCHEMBL2211715,PC-id_67318484	516.926	MAUUASHECXUNBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154335
O=CCC(c1nc2c(n1Cc1ccncc1)C=CCC=C2)Cc1cc(Cl)c(c(c1)C(F)(F)F)N(N)N	PC-id_142804226	516.946	IBAUYAAGALZMNY-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-154336
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1cc2c(cc1)OCO2)Cc1cc(ccc1)Cl	PC-id_134806269	516.975	BGKSWDCARPAWBO-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-154337
Fc1cccc(c1)COc1ccc(cc1Cl)NC1=NC=Nc2c(C1)sc(c2)C#Cc1cnc(cn1)N	PC-id_142979546	516.977	HMCFEQYZQDPVNW-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-154338
C1CC(=O)NC=CC=CC=Cc2cnc([nH]2)C(CC=C1)NC(=O)C=Cc1c(ccc(c1)Cl)n1cnnn1	SCHEMBL2301349,PC-id_87368196	516.982	PCZYWMOZXGXJOR-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-154339
COc1ccc(c(c1)NC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1ccc(cc1Cl)F)OC	GD-id_ZINC20446677	517.012	ZVFQAQLUEBXGIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154340
CC(=O)NCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)Cl)C(=O)O)C	PC-id_139605593	517.037	OBEIFSUULUCGQV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154341
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cccc1	PC-id_19728275	517.063	NCAOWEMUQRHMQT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154342
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)ccc1	PC-id_19728578	517.063	OGJODAHXWBDUGK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154343
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_19728751	517.063	RUVPLTYINRHPGS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154344
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(c4ccc(Cl)cc4)o3)sc3c2CCCCCC3)c1	ZINC22_409011986	517.081	GYIVOPXJQCHSBA-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-154345
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(c4ccc(Cl)cc4)o3)sc3c2CCCCCC3)c1	ZINC22_409019796	517.081	XGWIGNSZOKEHAH-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-154346
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(c4ccc(Cl)cc4)o3)sc3c2CCCCCC3)c1C	ZINC22_409018354	517.081	URMKFCXXQBZSBU-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-154347
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(c4ccc(Cl)cc4)o3)sc3c2CCCCCC3)cc1C	ZINC22_409013511	517.081	KPJJJRAVISGUGN-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-154348
Clc1sc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_44005135	517.082	ZVLVSQCQKGAPAR-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-154349
Clc1sc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_41100114,GD-id_ZINC09505159	517.082	QKHHMUFYIUTTLQ-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-154350
Clc1sc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_44027742	517.082	WEKOTVNZMOAALD-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-154351
Clc1sc(S(=O)(=O)N2C(CCCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_44028900	517.082	PRONGMNARKOCDT-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-154352
COC(=O)c1c(NC(=O)[C@H]2CCCN(C2)S(=O)(=O)c2ccc(s2)Cl)sc2c1CCCCC2	GD-id_ZINC10769723	517.082	WEKOTVNZMOAALD-ZDUSSCGKSA-N	00000000100110000100000000000010000000000000000000000000	31-01-154353
C1=CC=NC(=C1)C[C@@H]2C(=O)NC3=C(C(=O)N2CC4=CC(=C(C=C4)C(=O)NC5=CC=CC=N5)Cl)SC=C3	PC-id_164916599	517.098	BOHZJLVTFKLJFM-OAQYLSRUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-154354
Clc1ccc(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)c2C)C)cc1	PC-id_19677109	517.106	BAEVPNQSLQJSTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154355
Clc1ccc(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)c2C)C)cc1	PC-id_19677102	517.106	RKAZOJNYMCWJAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154356
Clc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cc2C)cc1	PC-id_19676833	517.106	HHHRLPJXSBKCQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154357
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)c2C)C)cccc1	PC-id_19677925	517.106	OCSHZQAOKYDBJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154358
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)c2C)C)cccc1	PC-id_19677918	517.106	GTJTXMZWHMWERZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154359
CCOC(=O)c1c(oc2c1ccc(=Nc1c(cc(cc1)N1C/C(=C/NC(=O)C(F)F)/OC1=O)F)cc2)O	PC-id_163842389	517.11	QLKLKCBWHBLJOE-OTCVYDFFSA-N	00000010100000110111100000000010000000000000000000000000	31-01-154360
CC1=C(SC2=C1SC[C@@H](C(=O)N2C)NC(=O)C3=NC=C(O3)CC4=CC=CC=C4)C#CC5=CN(N=C5)C	PC-id_146807127	517.124	RZIKVOZIXLQJCN-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154361
Clc1ccc(Sc2c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)cccc2)cc1	PC-id_19677515	517.126	PEADKRPTTWKXML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154362
Clc1ccc(Sc2c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cccc2)cc1	PC-id_19677508	517.126	SHZAPKXVTFVIDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154363
CC1=CN=C(S1)CC(=O)C[C@H]2CC[C@@H](OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160149072	517.168	PAHMEIUOHHUXIK-SJLPKXTDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154364
CC1=CSC(=N1)CC(=O)C[C@H]2CC[C@@H](OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_149420861	517.168	YTCXKWKFYONCBW-SJLPKXTDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154365
CC1=NC=C(S1)CC(=O)C[C@H]2CC[C@@H](OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_161444708	517.168	VZSXSQXANUXTLK-SJLPKXTDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154366
CC1=CC(=NO1)OCC(=O)C[C@H]2CC[C@@H](OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160629516	517.186	RHSXUHOMTCGPLJ-SJLPKXTDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154367
COC1=NOC(=C1)CC(=O)C[C@H]2CC[C@@H](OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160776116	517.186	RZYUFFJKFUJFHT-NVXWUHKLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154368
CC1=CC(=NO1)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F	PC-id_161496229	517.202	WGFYQZZINBAKNY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154369
CC1=CN=C(O1)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F	PC-id_161382214	517.202	VRWFLHASXSTIQQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154370
CC1=NC=C(O1)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F	PC-id_161535472	517.202	WLEIXRNTBANBNK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154371
CC1=NC2=CC=CC(=C2O1)C(=O)CC3CCC(CC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)F	PC-id_160217561	517.221	PITGURGDNYAECW-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154372
CC1=CN2C(=N1)C=CC=C2C(=O)NC3CCC(CC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)F	PC-id_165112410	517.232	FGVZAUNCIJVVFY-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154373
CC(COC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)NC(=O)C4=CC=CC5=NC=CN54)(F)F	PC-id_153053073	517.232	VHYKBZGLFPYDAK-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154374
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OC5CCOCC5	PC-id_146713905	517.243	RCWANVLLJOLQSW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154375
CC(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3CC(CN3C(=O)C4=NN5CCCNC(=O)C5=C4)F	PC-id_165139554	517.249	IBPWCRYDGICASB-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-154376
CN=C(/N=C(/NC1=C(C=C(C(=C1)NC(=O)C=C)N(C)CCN(C)C)OC)N=C)N2C=NC3=C2C=CCC=C3	PC-id_155106550	517.291	AQZZGLWWJQIMFQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-154377
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCO)Nc1c(cc(cc1)I)F)C	PC-id_91486182	517.356	FUMPVRKCKXHTBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154378
CCN(CCN1CCc2[nH]c(c(c2CCC1=O)C)/C=C/1C(=O)Nc2c1cc(F)cc2Br)CC	PC-id_143515108	517.434	PHWOPYKQBZZBDW-RGEXLXHISA-N	00000010100000100100000000001010000000000000000000000000	31-01-154379
CC(C1CCCCC1)NC(=O)c1c2CCCCC(=Cc3ccc(cc3)CI)c2n[nH]1	PC-id_89362379	517.446	DGNUQMCXDHDHSA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154380
ICc1ccc(cc1)/C=C/1CCCCc2c1[nH]nc2C(=O)N[C@H](C1CCCCC1)C	SCHEMBL14538328	517.446	DGNUQMCXDHDHSA-LBSLPOPVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154381
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)N(C(=O)Nc1nnn[nH]1)OC	SCHEMBL7310340,PC-id_88126131	517.449	MJFLMWFNHQIIAC-UHFFFAOYSA-N	00000010100000000111000000000010000000000000000000000000	31-01-154382
O=C1CCCCCCCCc2nnn(c2I)CCCCCCCCCCCCO1	PC-id_102340508	517.487	FKQGBTNQRMWTSO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154383
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)N(C(=O)NC1=NCCN1)OC	PC-id_88126185,SCHEMBL7310682	517.489	XVVHJFVXGUEHEG-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-154384
CCOC(=O)c1ccc2-c1ccc(cc2)Nc1ccc(cc1F)N1C[C@@H](OC1=O)CNC(=S)C(F)F	PC-id_143554987	517.52	KHRVJWJSZDUAPI-KRWDZBQOSA-N	00000010100000110111100000000010000000000000000000000000	31-01-154385
Cc1ncnn1c1c(cc(cc1)Nc1nn2CCCCC(c2n1)CC=CC(=CC=C)OCC(F)(F)F)F	PC-id_91545758	517.522	KDEPBAGDOHEYKH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154386
O=C(c1ccc(cc1)Cn1c2=CCC=CC=c2nc1C(F)(F)F)NC1CCOCC1c1n[nH]c(=O)s1	PC-id_143650896	517.523	FXEZYGBSEPETHL-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-154387
CC(C)(C)CCCNCCn1c2c(C(=N)C=CCC2)nc1Sc1c(cc2CCOc2c1)Br	PC-id_91258839	517.525	PGZUMXYXNPJAJC-UHFFFAOYSA-N	00000010100000100111000000001010000000000000000000000000	31-01-154388
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)NOCC(=O)N1CCCCC1	PC-id_88125479,SCHEMBL7304863	517.528	LGTOILSJXVVTCY-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-154389
CCOC(=O)Oc1c2-c(ccc(cc2)CC(=O)N(C)OCC(=O)N2CCCC2)c(c1N)OC(=O)OCC	PC-id_88125223,SCHEMBL7302620	517.528	KBIGMSGALNQSDK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154390
O=C1N(CCc2c(/C/1=C/c1ccc(cc1)C(F)(F)F)n(COCc1ccccc1)cn2)Cc1ccccc1	PC-id_145974482	517.542	IIPRHPWFXUNURV-ONUIUJJFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154391
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)C(=O)OCC	PC-id_19678283	517.542	AMRGWTPNWRVRAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154392
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)C(=O)OC	PC-id_19678276	517.542	XGTPSTLQMNTJRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154393
COC(c1cccc(c1[Se][C@H]([C@H](c1ccc2-c1ccccc2)c1ccccc1)C)C(OC)C)C	PC-id_102213038	517.56	NMUCLCIBUFPWSQ-YICFHJBNSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154394
Cn1cc(OCC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)OC2)cn1	PC-id_138671958,SCHEMBL21042385,BindingDB-id_989442	517.565	OXFFXWBIWDAKRT-JKSUJKDBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154395
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)N(OCCCN1CCCC1)C	SCHEMBL7312765	517.571	MEULOJXBSUYYCB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154396
O=C1N(CCCn2nc(cc12)C(=O)NC(C(C)C)C(=O)NCc1cc2OCOc2cc1)Cc1ccccc1	PC-id_42855063	517.576	YSCAFHXVARNHOS-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-154397
Cn1cc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1	SCHEMBL21041711,BindingDB-id_989460	517.583	IWDYHWHOELBSSW-LMTLIKQPSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154398
FCn1ncc(c1)CC(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670340	517.583	LWPSTTBXYAVVGP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154399
FCn1ncc(c1)CC(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21040678	517.583	LWPSTTBXYAVVGP-SAABIXHNSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154400
O=C(Cc1cnn(c1)C)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671329	517.583	IWDYHWHOELBSSW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154401
Fc1ccc(cc1)C(=C1CCN(CC1)CCCCn1ccc2c1C(=O)N(C)CCC2=O)c1ccc(cc1)F	PC-id_15291634,SCHEMBL9041119	517.609	BVRMXLOMCKZGLI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-154402
Fc1ccc(C(=C2CCN(CC2)CCCCn2c3c(cc2)C(=O)N(CCC3=O)C)c2ccc(F)cc2)cc1	PC-id_22011274	517.609	MACOHQLFHHJEHK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-154403
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC)C#N	PC-id_17305844	517.614	GWKDLQMFJQVOES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154404
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)C)C#N	PC-id_19635442	517.614	WWOPXLPRJDJCHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154405
CC(C)(C)OC(=O)N1Cc2cccn2C[C@H](CC(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)C1	ZINC22_585091707	517.616	BQXTYUNKTGUSFP-DEOSSOPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154406
CC(C)(C)OC(=O)N1Cc2cccn2C[C@@H](CC(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)C1	ZINC22_585091708	517.616	BQXTYUNKTGUSFP-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-154407
CC(C)(C)OC(=O)N1CC(CC(=O)N(Cc2ccccc2)Cc2ccc(cc2)C(=O)O)Cn2cccc2C1	EMOLS-id_313803057	517.616	BQXTYUNKTGUSFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154408
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[n+](noc1[O-])c1ccc(OC)cc1)C(=O)OCC	PC-id_53294317	517.618	QZVNQDNBUHBLTD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154409
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccc(OC)cc1)CC)C(=O)OC	PC-id_53293611	517.618	WLYVBBXDYMLLAS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154410
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccc(OC)cc1)C)C(=O)OCC	PC-id_53292499	517.618	ZFDLHGMQRVRFLE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154411
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)cc(OC)c1)C(=O)OCC	PC-id_5011145	517.618	QCPQCMGZVGKGGU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154412
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_4062540	517.618	NYYKVDUAEZGMFA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154413
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1c(OC)cccc1OC)C(=O)OCC	PC-id_5171531	517.618	VKHUZCXLKPCHTE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154414
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1c(OC)ccc(OC)c1)C(=O)OCC	PC-id_5078761	517.618	KTAMXKLSZXVLHK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154415
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(c(cc1)C)C)C(=O)OCC	PC-id_3320794	517.618	XVZGSIXRGSQTAT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154416
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[n+](noc1[O-])c1ccc(OC)cc1)C(=O)OC	PC-id_53294319	517.618	VGSSXFCTTYPUCL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154417
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccc(OC)cc1)C)C(=O)OC	PC-id_53292501	517.618	XIVSBZCFUIOKRG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154418
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[n+](noc1[O-])c1ccc(OC)cc1)C(=O)OCC	PC-id_53292095	517.618	KCBSEJIWUUSDKB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154419
COc1ccc(cc1)NC(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CC(C)C	EMOLS-id_25387436,PC-id_46049915,MCULE-2092753384	517.619	PXBYYYBVLVMBJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154420
COCCN(C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)CCC(=O)N[C@H](c1ccccc1)C	PC-id_93332410	517.619	GAAMTIFOFAVIBT-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154421
COCCN(C(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccccc1)CCC(=O)N[C@@H](c1ccccc1)C	PC-id_93332411	517.619	GAAMTIFOFAVIBT-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154422
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)N(Cc1ccccc1)C)CCOC)Cc1ccccc1	PC-id_42854960	517.619	DCPNLOAGQHMDIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154423
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NC(c1ccccc1)C)CCOC)Cc1ccccc1	PC-id_46049935	517.619	GAAMTIFOFAVIBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154424
O(C(=O)C(CCCCn1c2NC=NCC(O)c2nc1)(C)C(=O)NCCc1ccccc1)Cc1ccccc1	PC-id_10506076	517.619	CCQSJBWWADEDOO-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-154425
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3331824,MCULE-5166214681,EMOLS-id_16381931,CoCoCo_2661489	517.621	LFILTSXWWKIYKO-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-154426
O=C(Cc1nnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671124	517.631	NVBAKCWEZNATAW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154427
O=C(Cc1nnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041492	517.631	NVBAKCWEZNATAW-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-154428
O=C(Cc1snc(n1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671938	517.631	VREJDJRHQSBAJV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154429
O=C(Cc1snc(n1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21042363	517.631	VREJDJRHQSBAJV-WKILWMFISA-N	00000000100010000101000000000010000000000000000000000000	31-01-154430
Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)F)sc3CC2)CC1	SCHEMBL21041047,BindingDB-id_989507	517.634	NIBPDBNUZFUPIR-IYARVYRRSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154431
Cn1cc2ccc(cc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)F)sc3CC2)CC1	SCHEMBL21041729,BindingDB-id_989466	517.634	HPTXIDFVXWZMRU-IRJFHVNHSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154432
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)c1ccc2c(c1)n(C)nc2)F	PC-id_138671268	517.634	IEYGUJHHECUKFX-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154433
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)c1ccc2c(c1)nn(c2)C)F	PC-id_138671347	517.634	HPTXIDFVXWZMRU-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154434
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)c1cccc2c1cn(n2)C)F	PC-id_138670703	517.634	NIBPDBNUZFUPIR-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154435
FC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1ccc2c(c1)n(C)nc2)F	SCHEMBL21041646	517.634	IEYGUJHHECUKFX-IRJFHVNHSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154436
CC[C@@H](C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2)Sc1cccc(c1)NC(=O)CCC(=O)[O-]	GD-id_ZINC14298003	517.638	UPIJADOKOKURFP-SFHVURJKSA-M	00000000100000110100000000000010000000000000000000000000	31-01-154437
CC/C=CC=C
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CNCCO/C=C/C(=C)CCn1nc2c(c1NC/C=CCC)C(=O)N/C=C(C/C=CC2)/Oc1ccccc1	PC-id_143420493	517.662	VETLCBVRAGNFMS-SRUZAXBDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-154439
CCCCCC/C/1=C/c2csc(n2)[C@@H](C)[C@H](O)C[C@H](/C=C/C=CC[C@@H](OC1=O)/C=C/C(=O)OCC)O	PC-id_102585135	517.677	QHOOYUZMXQIVMG-XCNQULDTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154440
CC1CCCc2c(CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=Cc1csc(n1)C)C)[nH]nc2	PC-id_91071557	517.681	OJXMSVSKYABWRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154441
O=C1O[C@@H](Cc2nccn2CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)/C(=C/c1csc(n1)C)/C	SCHEMBL12608986,PC-id_68325297	517.681	MMUJGLTZLRHRHT-DRTNJRFPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154442
s1cc(nc1C)C=C(C1OC(=O)CC(O)C(C(=O)C(C(O)C(CCCn2c(ncc2)C1)C)C)(C)C)C	PC-id_77479780	517.681	MMUJGLTZLRHRHT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154443
s1cc(nc1C)/C=C(/[C@H]1OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCCc2c([nH]nc2)C1)C)C)(C)C)C	PC-id_59037525	517.681	OJXMSVSKYABWRP-PFQMBVTLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154444
CN(CCCc1c(/C=C/2C(=O)Nc3c2cc(cc3)S(=O)(=O)Cc2ccccc2)[nH]c2c1CCCCC2)C	PC-id_60113733,SCHEMBL6698445	517.682	HXCZXZOGKGZYKN-XHPQRKPJSA-N	00000010100000110100000000001010000000000000000000000000	31-01-154445
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_22198282	517.682	CIVIIIXWGCQJFH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154446
S(=O)(=O)(c1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCCN(C)C)C(=O)Nc2cc1)Cc1ccccc1	PC-id_72651822	517.682	HXCZXZOGKGZYKN-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-154447
O=C(Nc1ccccc1)c1c(/N=C/c2cn(Cc3ccccc3)c3ccccc23)sc2c1CCCCCC2	ZINC22_408969943	517.684	XJOBLIYHFZOYBS-KEIPNQJHSA-N	00000000100000110100000001100010000000000000000000000000	31-01-154448
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc(c2)C)C(=O)OC	PC-id_3337013	517.684	AOHDSPWXNCGJBD-LCUIJRPUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-154449
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)cccc2)C(=O)OCC	PC-id_4148580	517.684	AXKFBXRAXTZEFB-LCUIJRPUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-154450
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)cccc2)C(=O)OC	PC-id_4120305	517.684	REOVQLUQXDKWER-LCUIJRPUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-154451
CCCCOS(=O)(=O)c1cc(c2-c1ccc(cc2)C(C)C)CCCCNS(=O)(=O)c1ccccc1	PC-id_101676681	517.7	YFWOGDNIEXVLOD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154452
CCCCOS(=O)(=O)c1cc(c2-c1cc(ccc2)C(C)C)CCCCNS(=O)(=O)c1ccccc1	PC-id_101676682	517.7	OQZPDSIGHFKQNM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154453
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(C(=O)OCCN(CC)CC)cc1)C(=O)OCC	PC-id_20167659	517.704	ARIMYUMPQCTERC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154454
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(C(=O)OCCN(CC)CC)cc1)C(=O)OC	PC-id_20167652	517.704	LZIPLWPLLBWZCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154455
O=C(Nc1nc2-c(n1)ccc(/N=N/c1ccc(OC)cc1)cc2)CCCCCCCCCCCCCCC	PC-id_85993425	517.705	VVBCNTXMIFWUCC-ULDVOPSXSA-N	00000010100000110111000000000010000000000000000000000000	31-01-154456
Cc1cc(c(c(=O)[nH]1)CN1CCCc2c(C1=O)c(c(s2)C(C)C1CCN(CC1)Cc1ccccc1)C)C	PC-id_134587806,SCHEMBL20240339	517.725	XPHPASVXGXYMRC-UHFFFAOYSA-N	00000000100010111100000000000010000000000000000000000000	31-01-154457
C[C@@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)Cc1ccccc1	SCHEMBL18363009	517.725	XPHPASVXGXYMRC-JOCHJYFZSA-N	00000000100010111100000000000010000000000000000000000000	31-01-154458
CCN(CC)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)c(OC)c1	ZINC22_409016714	517.725	RLUGQNVNBRUAGF-UZWMFBFFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154459
CCN(CC)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)c(OC)c1	ZINC22_409017706	517.725	SVXDQLQGQYYQMX-UZWMFBFFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154460
CCN(CC)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)c(OC)c1	ZINC22_409013448	517.725	KKXGWICSLQPBKF-UZWMFBFFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154461
CCN(CC)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)c(OC)c1	ZINC22_409016599	517.725	QMWUVCKROOJCHI-UZWMFBFFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154462
CCc1sc2c(c1CNC(=O)Nc1sc3c(c1C(=O)CCOC(C)(C)C)CCCCC3)CCNC2	PC-id_138565212,SCHEMBL20922820	517.747	WLMBRNNAJGNJPG-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-154463
CCCCn1c(C)c2c(c1C)C=CC(=CC=CC=CC=Cc1ccc3-c(cc1)c([n+](c3C)CCCC)C)C=C2	PC-id_102490699	517.767	DJIFLEGQYYBMAB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154464
CCOC(=O)c1c(Nc2ccc(cc2Cl)I)sc2c1CC(C)(C)CNC2=N	PC-id_69074780,SCHEMBL4514377	517.811	AGQLZIRRPFCUEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154465
COc1c(ccc(c1)Nc1nn2CCCCC(c2n1)C=C1CC=C(C=C1Cl)Cl)n1cc(nc1)Cl	PC-id_91595160	517.838	QTCXNHOVXNIXRE-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-154466
CN1CCN(CC1)C(=O)c1nn2c(c1F)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	SCHEMBL16129639,PC-id_117616469	517.904	LPCOGJIPKIYFSY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154467
COC(=O)c1cc(Cl)cnc1NC1=CC=c2c(=CC1C)ccn2Cc1cccc(c1)OCC(F)(F)F	SCHEMBL20851010,PC-id_138501299	517.927	GRHMWNMSDXPFHU-UHFFFAOYSA-N	00000000100000111110000000000010000000000000000000000000	31-01-154468
C1C=CCNC(=O)NC=CC=CC=Cc2cnc(C1NC(=O)C=Cc1c(ccc(c1)Cl)n1cnnn1)[nH]2	PC-id_87368181,SCHEMBL2301162	517.97	NXWLJACDYKJUAH-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-154469
[Na+].S(=O)(=O)(c1c2-c(c(c1)CCCCNS(=O)(=O)c1ccc(cc1)Cl)ccc(cc2)C(C)C)[O-]	CHEMBL262655	518.021	QIBQVFYOTMPEIP-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-154470
[Na+].S(=O)(=O)(c1c2-c(c(c1)CCCCS(=O)(=O)Nc1ccc(Cl)cc1)ccc(cc2)C(C)C)[O-]	CHEMBL298462	518.021	ATMFASIDIWPIIP-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-154471
Clc1ccc(cc1)NNC(=O)c1c(N/C(=N/S(=O)(=O)c2ccccc2)/[O-])sc2c1CCCCC2	GD-id_ZINC45287537	518.028	KZWMJXRUOIVQOS-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-154472
CCOC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)sc(Cl)c1c1ccccc1	PC-id_2576844,CoCoCo_2861341,MCULE-2981708568,EMOLS-id_43703923,ZINC22_3456439	518.045	QVVIBJWHDRIAQS-UHFFFAOYSA-N	00000000100100110100100000000010000000000000000000000000	31-01-154473
C1=CC=NC(=C1)CC2C(=O)NC3=C(C(=O)N2CC4=CC(=C(C=C4)C(=O)NC5=CC=CC=N5)Cl)SC=N3	PC-id_164916612	518.093	VPAPPFLOZWQDSZ-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-154474
O=C1C(=C(n2c(C(N1Cc1ccccc1Cl)CNC1CCCCCC1)ccc2)N(c1ccccc1)N)C	PC-id_143130427	518.093	YCPHESFTJMLQIM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-154475
CC(CCC1=CC=CC=C1)[C@H]2C=CC3=C(N(C=C3S(=NC)(=O)N2)C)C(NC4=CC(=C(C(=C4)F)F)F)O	PC-id_154991351	518.196	DJJVWROKGNYIRP-HTZNIUQOSA-N	00000000100000110111000000000010000000000000000000000000	31-01-154476
CN1N=CC(=N1)CC(=O)NC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F	PC-id_148034646	518.209	JDGWCJQTEUISIR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154477
Brc1ccc(CN(c2n3CCCCCc3nn2)CC(=O)c2ccc(Br)cc2)cc1	PC-id_5230897	518.244	JFGILLRHORYQHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154478
CC1=NC=C(C=N1)C=CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F	PC-id_160703660	518.253	IZQNMCKUYOBIPR-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-154479
CC(c1ccc(c2-c(c1)c(C)cc2/C=C/C=C1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl)C)C	PC-id_100938996	518.258	SXKGEAOXADYVNF-AATRIKPKSA-N	00000010100000100110000001000010000000000000000000000000	31-01-154480
CC1=C(C=CC(=C1)C(=O)N2CC(C3=C(N(N=C3C(=C2)C(=O)NC(C)C)CC4=CC=C(C=C4)OC)C)(C)C)F	PC-id_148144579	518.269	JXOKBUATRZTZGU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-154481
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc(Br)c1	PC-id_20409956	518.286	VCPQRAKFEJZWFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154482
CCOC(=O)c1c(Nc2ccc(cc2F)I)sc2c1CC(C)(C)CNC2=S	PC-id_87680122,SCHEMBL4511658	518.407	YFMVIFFLTXDUHI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154483
Brc1cc(/C=c/2s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)c2ccccc2)ccc1	PC-id_2317343	518.428	QNYZRXNSJXWCSW-DDJQOXGASA-N	00000000100000110101100000000010000000000000000000000000	31-01-154484
Brc1cc(C=c2sc(=C(c3n4CCCCCc4nn3)C#N)n(c2=O)c2ccccc2)ccc1	PC-id_4067866,EMOLS-id_300968687,MCULE-7198633010	518.428	QNYZRXNSJXWCSW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154485
Brc1ccc(/C=c/s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)c2ccccc2)cc1	CoCoCo_3609874,PC-id_2308170	518.428	BQDCOVWTJNJGPY-LQPBJRFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154486
Brc1ccc(C=c2sc(=C(c3n4CCCCCc4nn3)C#N)n(c2=O)c2ccccc2)cc1	EMOLS-id_44488406,PC-id_4075811,MCULE-2469534547	518.428	BQDCOVWTJNJGPY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154487
Brc1ccc(/C=c/2s/c(=C(c3n4CCCCCc4nn3)/C#N)/n(c2=O)c2ccccc2)cc1	PC-id_2308167,CoCoCo_3609872	518.428	BQDCOVWTJNJGPY-BBMOIHPLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154488
Brc1ccc(/C=c/2s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)c2ccccc2)cc1	PC-id_2308169,CoCoCo_3609873	518.428	BQDCOVWTJNJGPY-DDJQOXGASA-N	00000000100000110101100000000010000000000000000000000000	31-01-154489
N#C/C(=c
/s/c(=C/c2ccc(Br)cc2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	ZINC22_105752663,CoCoCo_3609875	518.428	BQDCOVWTJNJGPY-UCMJAKSHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154490
N#C/C(=c
/s/c(=Cc2cccc(Br)c2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	PC-id_2317341,ZINC22_15906609	518.428	QNYZRXNSJXWCSW-BBMOIHPLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154491
N#C/C(=c/1s/c(=C/c2cccc(Br)c2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	PC-id_2317344,CoCoCo_3609837,ZINC22_102963908,CoCoCo_3609838	518.428	QNYZRXNSJXWCSW-LQPBJRFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154492
N#C/C(=c
/s/c(=C/c2cccc(c2)Br)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609839,CoCoCo_3609836	518.428	QNYZRXNSJXWCSW-UCMJAKSHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154493
Brc1n(c2c(n1)c(=O)nc(NCCCCCCCCCC)[nH]c2=O)Cc1ccc(OC)cc1	CHEMBL200428,PC-id_15955478	518.447	GGJQAFCPUXRDES-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-154494
Brc1oc(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)cc1	PC-id_19724881	518.45	ZAUANGMFUANPEL-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-154495
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCCl)CCCl)sc2c(CCCCC2)c1C(=O)N	MCULE-3976104438,CoCoCo_5014633,EMOLS-id_5470475,PC-id_4547136,CHEMBL1465920	518.477	JANMONVPRWEFGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154496
Clc1c(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)ccc(Cl)c1	PC-id_19729025	518.482	PKYQVUHBWAFQNX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154497
Clc1cc(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)ccc1Cl	PC-id_19729304	518.482	UDHIHUHAWJLOHX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154498
C1CCN(CC1)CCc1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460632,SCHEMBL16099901	518.495	WUSYKTRPBNVVCP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154499
O=C(N1CCCn2c(C1)cc(n2)C(N1CCCCC1)C)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16129806,PC-id_117616614	518.495	WAAKGWZOQBPCNS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154500
COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)OC2)on1	SCHEMBL21041653,BindingDB-id_989445,PC-id_138671275	518.55	RVWPDWZOIDVHIU-LSDHHAIUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154501
O=C(N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1noc(c1)C	SCHEMBL21042381,PC-id_138671954	518.55	RLUHLVBBZPUITO-JKSUJKDBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154502
COc1cc(ccc1OC(=O)c1ccc(cc1)C(=O)c1ccccc1)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_4492198,PC-id_17548471	518.563	IAMRACAWBZILTH-XIEYBQDHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154503
COc1cc(ccc1OC(=O)c1ccc(cc1)C(=O)c1ccccc1)C=C(c1nnc2n1CCCCC2)C#N	MCULE-3627642671,EMOLS-id_44028366,PC-id_72030115	518.563	IAMRACAWBZILTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154504
COc1cc(ccc1OC(=O)c1ccc(cc1)C(=O)c1ccccc1)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_18532729,CoCoCo_4492199	518.563	IAMRACAWBZILTH-BWAHOGKJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154505
Cc1cc(C)c2-c(c(c1)C)c(cc2C(=O)C)C(=O)c1cc(c2-c1cc(ccc2C)C(C)C)C(=O)C(F)(F)F	PC-id_102042071	518.566	IBGGSZXSFWFPJW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154506
Cc1cc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)no1	BindingDB-id_989459,SCHEMBL21041632	518.568	FBPDTELIQBUGLW-MIRVZWSXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154507
Cc1cnc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)o1	SCHEMBL21041638,BindingDB-id_989463	518.568	RFWMMUCBGJUDDD-MIRVZWSXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154508
Cc1ncc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)o1	SCHEMBL21041716,BindingDB-id_989461	518.568	XSHRDEIBCLNUGC-MIRVZWSXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154509
O=C(Cc1cnc(o1)C)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671334	518.568	XSHRDEIBCLNUGC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154510
O=C(Cc1ncc(o1)C)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671262	518.568	RFWMMUCBGJUDDD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154511
O=C(Cc1noc(c1)C)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671256	518.568	FBPDTELIQBUGLW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154512
O=C(Cc1onc(c1)C)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671240	518.568	LDAQBKFBMJFOIC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154513
O=C(Cc1onc(c1)C)N[C@@H]1CC[C@@](CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041616	518.568	LDAQBKFBMJFOIC-MIRVZWSXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154514
S(=O)(=O)(N1c2c(CC=CC1)c(O)n(OC(c1ccccc1)c1ccccc1)c2O)c1ccc(OC)cc1	PC-id_53852968	518.581	GRDCHRAWCGNNSX-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-154515
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1c(cc(cc1)OC)OC)nn2)C	PC-id_134828959	518.606	SUAHEKCAVPEDDM-BSRJHKFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154516
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1c(cc(cc1)OC)OC)nn2)C	PC-id_134829010	518.606	SUAHEKCAVPEDDM-PMAPCBKXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154517
C[C@@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1c(cc(cc1)OC)OC)nn2)C	PC-id_134829016	518.606	SUAHEKCAVPEDDM-IEGUWTFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154518
C[C@H]1CN(C(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1c(cc(cc1)OC)OC)nn2)[C@H](C)CO	PC-id_134828938	518.606	DZDKJIRUSJXCKT-YZZKKUAISA-N	00000000100000110101000000000010000000000000000000000000	31-01-154519
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_75036343	518.606	DZDKJIRUSJXCKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154520
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_75036341	518.606	BYLZCNPQXPGOCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154521
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	CHEBI:95690,PC-id_44505441	518.606	DZDKJIRUSJXCKT-IEGUWTFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154522
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	CHEBI:96262,PC-id_44498548	518.606	DZDKJIRUSJXCKT-BSRJHKFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154523
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	CHEBI:96426,PC-id_44505438	518.606	DZDKJIRUSJXCKT-PMAPCBKXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154524
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_44505436,CHEBI:96918	518.606	DZDKJIRUSJXCKT-IXFSTUDKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154525
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_46903247	518.606	DZDKJIRUSJXCKT-PNCHPQGNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154526
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	CHEBI:112596,PC-id_44505821	518.606	BYLZCNPQXPGOCE-IEGUWTFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154527
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	CHEBI:113366,PC-id_44506023	518.606	BYLZCNPQXPGOCE-IUKKYPGJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154528
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_44498547,CHEBI:112553	518.606	BYLZCNPQXPGOCE-YZZKKUAISA-N	00000000100000110101000000000010000000000000000000000000	31-01-154529
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_44505432,CHEBI:112474	518.606	BYLZCNPQXPGOCE-BSRJHKFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154530
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_44505433,CHEBI:112560	518.606	BYLZCNPQXPGOCE-IXFSTUDKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154531
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_44505434,CHEBI:112457	518.606	BYLZCNPQXPGOCE-PMAPCBKXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154532
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_44505808,CHEBI:112518	518.606	BYLZCNPQXPGOCE-PNCHPQGNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154533
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1c(OC)cc(OC)cc1	PC-id_44506021,CHEBI:112494	518.606	BYLZCNPQXPGOCE-STSQHVNTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154534
c1nc(CCNC(=O)CCN(CCOC)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)ccc1	MCULE-6128542946,EMOLS-id_25388172,PC-id_46049926	518.607	CHCLXIATUIWHML-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-154535
O=C(Cc1cnc(s1)C)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041026,PC-id_138670682	518.616	IQYMZNFKGAJGOU-JKSUJKDBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154536
O=C(Cc1csc(n1)C)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041937,PC-id_138671550	518.616	MIYNBSHZNFSCCN-DOTOQJQBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154537
O=C(Cc1ncc(s1)C)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041100,PC-id_138670753	518.616	DKXNVOMULMJVOE-JKSUJKDBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154538
O=C(Cc1scc(n1)C)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670382,SCHEMBL21040721	518.616	QZQCBZDRRYIWCI-JKSUJKDBSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154539
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)c1ccc2c(c1)oc(n2)C)F	PC-id_138671291	518.619	RTTHPZFRJQUVNP-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154540
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)c1cccc2c1NC(=O)C2)F	PC-id_138670797	518.619	SDPSCMJWIDFOEZ-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-154541
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)c1cccc2c1oc(n2)C)F	PC-id_138671204	518.619	DRZZADSDTIXALN-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154542
FC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1ccc2c(c1)oc(n2)C)F	SCHEMBL21041671	518.619	RTTHPZFRJQUVNP-UAPYVXQJSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154543
FC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1cccc2c1oc(n2)C)F	SCHEMBL21041576	518.619	DRZZADSDTIXALN-IYARVYRRSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154544
FC(F)COc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4CC(=O)Nc34)CCc2s1	BindingDB-id_989470,SCHEMBL21041150	518.619	SDPSCMJWIDFOEZ-SAABIXHNSA-N	00000010100010100101000000001010000000000000000000000000	31-01-154545
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(F)cc1)C(=O)OC	PC-id_17264255	518.624	PAJYNAYISXUJDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154546
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)C)C(=O)OC	PC-id_19640440	518.624	RWPAXQRICSPKIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154547
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)C)C(=O)OCC	PC-id_19633582	518.624	YUWAVAHJEAETMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154548
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)C)C(=O)OC	PC-id_19633508	518.624	MGGHVHVMSFEAGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154549
s1c2c(CCCCC2)c(c1NC(=O)CCSc1[n+]([nH]oc1=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_53294318	518.626	QZVNQDNBUHBLTD-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-154550
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccc(OC)cc1)CC)C(=O)OC	PC-id_53293612	518.626	WLYVBBXDYMLLAS-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-154551
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccc(OC)cc1)C)C(=O)OCC	PC-id_53292500	518.626	ZFDLHGMQRVRFLE-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-154552
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[n+]([nH]oc1=O)c1ccc(OC)cc1)C(=O)OC	PC-id_53294320	518.626	VGSSXFCTTYPUCL-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-154553
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccc(OC)cc1)C)C(=O)OC	PC-id_53292502	518.626	XIVSBZCFUIOKRG-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-154554
s1c2c(CCCCCC2)c(c1NC(=O)CSc1[n+]([nH]oc1=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_53292096	518.626	KCBSEJIWUUSDKB-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-154555
S(=O)(=O)(Nc1onc(c1C)C)c1c(c2c(cc(Cn3c4c(nc3C)CCCCC4=O)cc2)C)cccc1	PC-id_20747611	518.627	SFYJHSLLHDDAPD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154556
CCc1n(CC[C@H](C[C@H](CC(=O)O)O)O)c2c(c1C(=O)Nc1ccc(cc1)c1ccccc1)CCCCC2	PC-id_49866568	518.644	OUBFNRRLNMXSKZ-JWQCQUIFSA-N	00000000100000110100100000000010000000000000000000000000	31-01-154557
c1(NC(=O)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_3780193,MCULE-3729517964,EMOLS-id_3063686,ZINC22_2106513,PC-id_1761546,SPECS-id_AF-399/40851183	518.645	GGLWTWDDLVZCLR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-154558
CCCc1nc2c(n1Cc1ccc(cc1)c1cc(F)ccc1SNc1noc(c1C)C)C(=O)CCCC2	PC-id_142070360	518.645	SWPLOYHXTSSINC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154559
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC(=O)O)ccc1)CC)C(=O)OC	PC-id_18898289	518.645	UPIJADOKOKURFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154560
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC(=O)O)ccc1)C)C(=O)OCC	PC-id_18898224	518.645	LADIDNUAQZNWCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154561
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(=O)OCC)C(=O)OCC)C(=O)OCC	PC-id_20181330	518.645	BSRMWVMNHQRDHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154562
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)OCC)C(=O)OCC)C(=O)OCC	PC-id_20181512	518.645	ILYCHBWGZOOFHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154563
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC(=O)O)ccc1)C)C(=O)OC	PC-id_18898225	518.645	PTWCHJFQEFGNPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154564
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)CCC(=O)O)ccc1)C(=O)OCC	PC-id_18898259	518.645	QMCHRLPYWIJWNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154565
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(=O)OCC)C(=O)OCC)C(=O)OC	PC-id_20181323	518.645	IKXNTSMKYTYLOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154566
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)OCC)C(=O)OCC)C(=O)OC	PC-id_20181505	518.645	DFBGYUMNPDJXAE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154567
s1c2c(CCCCC2)c(c1NC(=O)COCC(=O)Nc1sc2c(CCCCC2)c1C(=O)N)C(=O)N	PC-id_5180386	518.649	NLDIXMZJNJVPJK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-154568
Cc1c(ccc(c1)C(=O)N1C/C=CC=C/C(=C)Nc2c(C1)cnn2C)CNC(=O)N1CCN(CC1)CCN	PC-id_137001072,SCHEMBL16323266	518.654	LIHZHNRNHDNKAF-PEPZGXQESA-N	00000000100010110111000000000010000000000000000000000000	31-01-154569
C=Nc1ccc(cc1Nc1sc2c(c1CN1CCN[C@H](C1)CCC1=CC=C(CC=C1)F)CC=CC=C2)F	PC-id_142812377	518.664	HUOZGKJVYGIRRA-DEOSSOPVSA-N	00000000100010110111000000000010000000000000000000000000	31-01-154570
CC1CCCc2c(CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=Cc1csc(n1)C)C)onc2	PC-id_91473263	518.665	KGJWYOITCZRMGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154571
s1cc(nc1C)/C=C(/[C@H]1OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCCc2c(onc2)C1)C)C)(C)C)C	PC-id_59037515	518.665	KGJWYOITCZRMGY-KKPJKTSRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154572
CCN1[C@H](CO/C(=C(C(C)(C)S(=O)(=O)C)/N=C(C)C2C=CC(=Cc3c2cc[nH]3)OC)/C1=NC)COC	PC-id_134293469	518.669	WNSMMXSQVQJIIT-MOCQRVLESA-N	00000000100010000111000000000010000000000000000000000000	31-01-154573
COC[C@H]1CO/C(=C(C(S(=O)(=O)C)(C)C)/N=C(/C2C=CC(=Cc3c2cc[nH]3)OC)C)/C(=NC)/N1CC	SCHEMBL19909944	518.669	WNSMMXSQVQJIIT-MBHUYLTLSA-N	00000000100010000111000000000010000000000000000000000000	31-01-154574
s1cc(nc1C)C=C(C1OC(=O)CC(O)C(C(=O)C(C(O)C(CCCn2nncc2C1)C)C)(C)C)C	PC-id_78092555	518.669	XYNJOQATLQMKJC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154575
s1cc(nc1C)/C=C(/[C@H]1OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCCn2nncc2C1)C)C)(C)C)C	PC-id_71511272	518.669	XYNJOQATLQMKJC-RAHCDFEISA-N	00000000100000000101000000000010000000000000000000000000	31-01-154576
CCc1cc(c2-c1ccccc2)C=C1C(=O)Nc2c1cc(cc2)S(=O)(=O)NCCCN1CCN(CC1)C	SCHEMBL13324681,PC-id_70880625	518.67	IVTMKNHFUKBHER-UHFFFAOYSA-N	00000010100010100111000000001010000000000000000000000000	31-01-154577
CCNC(=O)c1ccccc1c1ccc(cc1)CN1C(=O)C(CCc2c1ccs2)NC(=O)CC(N)(C)C	PC-id_19067057,SCHEMBL8909502	518.67	PHFLQCIVWFFOST-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-154578
CCNC(=O)c1cccc(c1c1ccc(cc1)C(N1C(=O)CCCc2c1ccs2)N)C(=O)CC(N)(C)C	SCHEMBL8620805,PC-id_67643007	518.67	MKUQKDBUSMEFJZ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-154579
CCNC(=O)c1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1ccs2)NC(=O)CC(N)(C)C	PC-id_22870099,SCHEMBL8909510	518.67	PHFLQCIVWFFOST-HSZRJFAPSA-N	00000000100000110100100000000010000000000000000000000000	31-01-154580
S(=O)(=O)(NCCCN1CCN(CC1)C)c1cc2/C(=C/c3c4-c(c(c3)CC)ccccc4)/C(=O)Nc2cc1	PC-id_59301660	518.67	IVTMKNHFUKBHER-DIBXZPPDSA-N	00000010100010100111000000001010000000000000000000000000	31-01-154581
c1(NC(=S)NC(=O)c2ccc(c(OC)c2)OC)sc2c(CCCCCCCCCC2)c1C(=O)OC	MCULE-5433573498,ZINC22_9215637,GD-id_ZINC09215637,PC-id_3794498,STOCK2S-75744,EMOLS-id_4457335	518.689	KMPDHBKKXMFUQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154582
S(=O)(=O)(N(C1CCCCC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_23910639	518.689	PWKKFBZQKNXLQT-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-154583
c1(NC(=O)CSc2c3ccccc3n(Cc3ccccc3)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-1275487303,CoCoCo_4982966,EMOLS-id_5439515,PC-id_3370993,ZINC22_9391699	518.69	PMDSSIOIQXLVTR-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-154584
Cc1cccc(c1)N(c1cc2-c(cc(c1)N(c1cccc(c1)C)c1ccc(cc1)C)ccc2)c1ccc(cc1)C	PC-id_139606543	518.69	LIVHOHXKBCFXNQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154585
Cc1cccc(c1)N(c1cc(c2-c1ccccc2)N(c1cccc(c1)C)c1ccc(cc1)C)c1ccc(cc1)C	PC-id_139606572	518.69	OMZGZUXCCHUTFJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154586
Cc1cccc(c1)N(c1cc(c2-c1ccccc2)N(c1cccc(c1)C)c1cccc(c1)C)c1cccc(c1)C	PC-id_67858475,SCHEMBL9472364	518.69	NNKCCOIVUMQTTQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154587
Cc1ccc(cc1)N(c1ccc(cc1)C)c1cc(cc2-c(c1)ccc2)N(c1ccc(cc1)C)c1ccc(cc1)C	PC-id_85699354,SCHEMBL17229434	518.69	AUURCLAEVJIEFL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154588
CN(c1ccc(cc1)C(=C(c1ccc2-c1ccccc2)c1ccc2-c1ccccc2)c1ccc(cc1)N(C)C)C	PC-id_101439615	518.69	BTAJXJSSWJSSNK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154589
CN(c1ccc(cc1)/C(=C(c1ccc2-c1ccccc2)/c1ccc(cc1)N(C)C)/c1ccc2-c1ccccc2)C	PC-id_101439617	518.69	BVZGAMHIHJWOHB-HEFFKOSUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154590
CN(c1ccc(cc1)/C(=C(/c1ccc2-c1ccccc2)c1ccc(cc1)N(C)C)/c1ccc2-c1ccccc2)C	PC-id_101439618	518.69	BVZGAMHIHJWOHB-DTTHWBISSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154591
N(c1c2-c(c(N(c3ccc(cc3)C)c3ccc(cc3)C)c1)ccccc2)(c1ccc(cc1)C)c1ccc(cc1)C	PC-id_85692493	518.69	NAYUOCOQQLVOCU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154592
N(c1cc(N(c2cc(ccc2)C)c2cc(ccc2)C)cc2-c(c1)ccc2)(c1cc(ccc1)C)c1cc(ccc1)C	PC-id_85699350	518.69	VKRSBBVJMGDVFL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154593
c1ccc(cc1)CCn1cc2c(n1)C(=NC(CN2)Cc1ccccc1)NC1CCN(CC1)Cc1ccccc1	SCHEMBL3467878,PC-id_68654248	518.695	JQGAHHXHKRZJMU-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-154594
c1ccc(cc1)CCn1cc2c(n1)C(=N[C@@H](CN2)Cc1ccccc1)NC1CCN(CC1)Cc1ccccc1	SCHEMBL3467168,PC-id_46840854	518.695	JQGAHHXHKRZJMU-SSEXGKCCSA-N	00000000100010110111000000000010000000000000000000000000	31-01-154595
FC1CC(C1)Oc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)C=NC(=O)Cc1cnc(s1)C	PC-id_145451924	518.71	APLPWBBMMHGBQG-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-154596
Cc1cc(c(c(=O)[nH]1)CN1CCCc2c(C1=O)c(c(s2)C(C)C1CCN(CC1)Cc1ccccn1)C)C	SCHEMBL20240338,PC-id_134587805	518.713	VWGPXHFVOPZZFR-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-154597
C[C@@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)Cc1ccccn1	SCHEMBL18362962	518.713	VWGPXHFVOPZZFR-OAQYLSRUSA-N	00000000100010101100000000000010000000000000000000000000	31-01-154598
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CC)C(=O)OC	PC-id_19718885	518.715	CHQSTLFWFVECDG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154599
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CC)C(=O)OC	PC-id_19719039	518.715	AJNCWDQDYKFCQZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154600
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1c(c(sc1)C)C)C(=O)OC	PC-id_19721183	518.715	BGHUIODYYIDAKX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154601
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(c(sc1)C)C)C(=O)OC	PC-id_19721336	518.715	XZXWQKBHEQJPJE-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154602
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)C)C(=O)OCC	PC-id_19718093	518.715	PQQUOMYKBHUYRI-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154603
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C)C(=O)OCC	PC-id_19718240	518.715	IJVMCMWLDDIKSB-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154604
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC)C(=O)OC	PC-id_19721613	518.715	UFBYZFQEQZYCIV-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154605
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)C)C(=O)OCC	PC-id_17262172	518.715	XTYMHODUTARUSC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154606
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC)C(=O)OC	PC-id_19719343	518.715	QGZMWHZIQSUCSA-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154607
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC)C(=O)OC	PC-id_19720116	518.715	KTUGAPHGHAEYMH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154608
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC)C(=O)OCC	PC-id_19718683	518.715	QOFGUANVZMGLJH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154609
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)C)C(=O)OCC	PC-id_19719293	518.715	SKVBRUBXHQTRKK-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154610
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)C)C(=O)OCC	PC-id_19720066	518.715	URMZAEOXLHARSD-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154611
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC)C(=O)OCC	PC-id_19720981	518.715	SUTZYEZRWZYJKV-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154612
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)C)C(=O)OC	PC-id_19718007	518.715	MRUXSIIKTZEJKJ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154613
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C)C(=O)OC	PC-id_19718142	518.715	ZDFQKTSYRSKIMF-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154614
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)C)C(=O)OC	PC-id_19721492	518.715	FAQPZCQCROPKCD-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154615
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC)C(=O)OC	PC-id_19718586	518.715	LDDGRWIUYBTCAB-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154616
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)C)C(=O)OC	PC-id_19719194	518.715	UFWOCGALXLPBDW-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154617
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)C)C(=O)OC	PC-id_19719966	518.715	YANHZEHTWQQOPH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154618
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC)C(=O)OC	PC-id_19720882	518.715	CNLXQGJJHHKBJS-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-154619
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC1CCOCC1	PC-id_138670318	518.735	MUSJZJNUUBZSPF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154620
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OC1CCOCC1	SCHEMBL21040655	518.735	MUSJZJNUUBZSPF-MXVIHJGJSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154621
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)CC)C(=O)OCC	PC-id_20125953	518.735	WDUKPRMCTFJOKP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154622
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)CC)C(=O)OC	PC-id_17267521	518.735	VHQJAEBTTGYONL-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154623
CCSC1(SCC)CCN(C(=O)c2c1n(CC)cc2)CCCN1CCN(CC1)c1ccc(cc1)F	SCHEMBL6773481,PC-id_22737979	518.753	SBSLAUPLPIGQIB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-154624
CCOC(=O)c1c(Nc2ccc(cc2Cl)I)sc2c1CC(C)(C)CNC2=O	SCHEMBL4503267,PC-id_57400194	518.796	OJBXFQINSUBWRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154625
C1C=CCOC(=O)NC=CC=CC=Cc2cnc(C1NC(=O)C=Cc1c(ccc(c1)Cl)n1cnnn1)[nH]2	PC-id_87368706,SCHEMBL2305499	518.955	WMLAGVVZLWIXRI-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-154626
O=C(Nc1sc2c(c1C(=O)NNc1ccc(Cl)cc1)CCCCC2)NS(=O)(=O)c1ccccc1	CHEMBL574650,NSC731660,PC-id_24204389	519.036	KZWMJXRUOIVQOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154627
Clc1c(CNC(=O)N2C(CC(OC)C2)C(=O)N(C)C)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_22027771	519.056	FTJUFOQARBBNRB-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-154628
Clc1c(CNC(=O)N2[C@@H](C[C@@H](OC)C2)C(=O)N(C)C)ccc(C(=O)N2CCCCc3sccc23)c1	SCHEMBL4198538,PC-id_6918588	519.056	FTJUFOQARBBNRB-NQIIRXRSSA-N	00000010100000110100000000000010000000000000000000000000	31-01-154629
CN(C)C(=O)C1CCCN1OCC(=O)NCc1c(cc(cc1)C(=O)N1CCCCc2c1ccs2)Cl	PC-id_91555212	519.056	YWCMICSHPUZJAF-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-154630
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cccc1	PC-id_19728233	519.079	KQFOCSQCXQUDCL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154631
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cccc1	PC-id_19728166	519.079	VSCAWSZDNPQQAZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154632
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)ccc1	PC-id_19728536	519.079	DZERLKPNLUARJV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154633
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)ccc1	PC-id_19728484	519.079	XMAHHUVGOPLZDG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154634
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cc1	PC-id_19728722	519.079	XLBUSLLOYMWDFR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154635
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cc1	PC-id_19728697	519.079	JZALOJDRDZAGJU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154636
Clc1ccc(Cc2n(CC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)cc1	PC-id_17302935	519.079	FOJHUSNNDLLGRW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154637
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)cc1	PC-id_17302926	519.079	XKOJABSCTOBDOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154638
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cc1	PC-id_20124035	519.079	NLNXHKHAIKCANR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154639
CC(C)CC(C(=O)CC1CCC2=C(CCCCNC(=O)C1=O)SN=C2)NS(=O)(=O)C3=CC=CC=C3	PC-id_147536519	519.186	FOBLWHVXCKFQCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154640
CC(C)CC(C(=O)CC1CCCC2=C(CCCNC(=O)C1=O)SC=N2)NS(=O)(=O)C3=CC=CC=C3	PC-id_160482903	519.186	QPNKVGFRRXCUMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154641
CC(C)CC(C(=O)CC1CCCCC2=CSN=C2CCNC(=O)C1=O)NS(=O)(=O)C3=CC=CC=C3	PC-id_160319831	519.186	PVIGZFDHDXGLAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154642
CCC1=NN(C2=C1C(=O)NCCCOCCC2)C[C@@H](C)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C	PC-id_146778121	519.24	RTCXXXWKKFMFAW-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154643
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(C)C	PC-id_155171398	519.24	IUPLRAUTXDXQTJ-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154644
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C	PC-id_155171440	519.24	IPHAVTSZDHKPQD-LJQANCHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154645
CC(CCC1=CC=CC=C1)[C@H]2CCC3=C(N(C=C3S(=NC4CC4)(=O)N2)C)CNC5=CC(=C(C=C5)F)C#N	PC-id_154991335	519.247	AIQLWDZSWZRYJC-PRODDBDMSA-N	00100000100000110101000000000010000000000000000000000000	31-01-154646
[n+]1(CC(=O)c2ccc(Br)cc2)c2CCCCCn2c(CNc2ccc(Br)cc2)n1	PC-id_16432456,ZINC22_26441530,CoCoCo_5791316,MCULE-7676728264,GD-id_ZINC26441530	519.252	DAOUAGYECSBXSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154647
C1CN(Cc2cc(nn2C1)C(=O)N1CCC(CC1)C(F)(F)F)C(=O)OCc1cc(cc(c1)Cl)Cl	PC-id_86345929,SCHEMBL16099528	519.344	QLAQMFXOFHEZSG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154648
CSCc1c2CCCCCCc2n(c1C(=O)OI)S(=O)(=O)c1ccccc1	SCHEMBL19958485,PC-id_134335178	519.417	MXQOGSVTSROHPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154649
C1CN(Cc2cc(nn2C1)C(=O)N1CCNCC1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_86345885,SCHEMBL16093743	519.44	UIZUZGRJFZKPGI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154650
CNC1CN(C1)C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700375	519.44	VHMCMISBICMHMS-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-154651
s1c2nc(cc(c2c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c1C(=O)N)C)C(F)(F)F	PC-id_19523722	519.463	MRWMITCCNSMQNL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-154652
Cc1cc(OC(F)(F)F)ccc1COC(=O)N1CCc2cc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1	BindingDB-id_913888,SCHEMBL17113002,PC-id_118394562	519.476	URODJCVEOVWPIB-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-154653
FC(F)(F)COc1ccc(COC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1	PC-id_118394533,BindingDB-id_913889,SCHEMBL17112973	519.476	GUFUZIDKSKHVPB-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-154654
Brc1ccc(Cn2ncc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2)cc1	PC-id_20170722	519.478	KUSOJZZZRIAWPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154655
Brc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cc2)cc1	PC-id_20168312	519.478	LGQWPVBDTCOPBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154656
Brc1cn(nc1)Cc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1	PC-id_20173203	519.478	KXIQYQDRUXUDFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154657
CC1NCCC(C1)Nc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700396	519.483	AMBYUVAXJZASLO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154658
CN1CCC(CC1)Nc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90462899,SCHEMBL16102711	519.483	JRZOPLLPBPWRGB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154659
CN1CCN(CC1)Cc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460929,SCHEMBL16100260	519.483	HPGUZJFULRUZAA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154660
O=C(N1CCCn2c(C1)cc(n2)NC1CCCCNC1)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700431	519.483	SWKVQVWOOQKUIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154661
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)NOCC(=O)N1CCOCC1	SCHEMBL7304842,PC-id_88125476	519.501	IQGLKQIESPFFFN-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-154662
NC(=O)C[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c1ccc(cc1)NC(=O)c1oc2c(c1)C#CCC=C2	PC-id_143068150	519.526	CUHVTNXSJOZUPK-NRFANRHFSA-N	00000000100000110110100000000010000000000000000000000000	31-01-154663
c1(c2CCCCCCCCCCc2sc1NC(=O)CC(C)C)C(=O)Nc1ccc(cc1)Br	EMOLS-id_4536298,ZINC22_2251119,CoCoCo_5990462,MCULE-8932407700,STOCK3S-84021,PC-id_1879385	519.537	ZYHBQMSDVOZDAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154664
COC(=O)c1ccc(Oc2nc(ccc2NC(=O)c2coc3CCCNC(=O)c23)N2CCN(C)CC2)cc1	PC-id_118252974,SCHEMBL16931305,BindingDB_PC-id_118252974,BindingDB-id_679659	519.549	LLQCNJNUCIKWEO-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-154665
Cc1nc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)no1	BindingDB-id_989462,SCHEMBL21040748	519.556	NWCJFZMQGGIAAN-GGYDESQDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154666
Cc1nnc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)o1	SCHEMBL21041149,BindingDB-id_989457	519.556	DSQMOWVBQWIPID-GGYDESQDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154667
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccc(cc1)C	PC-id_22197214	519.677	UUXCGTDDAMDFIF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154703
O=C(Cc1nnc(o1)C)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670796	519.556	DSQMOWVBQWIPID-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154668
O=C(Cc1noc(n1)C)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670409	519.556	NWCJFZMQGGIAAN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154669
OC(=O)CCc1c(/C=C/2C(=O)Nc3c2cc(cc3)NS(=O)(=O)c2ccccc2)[nH]c2c1C(=O)CCCC2	SCHEMBL3793258,PC-id_46846838	519.569	HBWFRSHBIMRJKJ-HKWRFOASSA-N	00000010100000110100000000001010000000000000000000000000	31-01-154670
S(=O)(=O)(Nc1cc2C(=Cc3[nH]c4c(c3CCC(=O)O)C(=O)CCCC4)C(=O)Nc2cc1)c1ccccc1	PC-id_68789648	519.569	HBWFRSHBIMRJKJ-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-154671
CCCCC(COCC1(COCC(CCCC)CC)COc2c(OC1)csc2Br)CC	SCHEMBL16322508,PC-id_117762665	519.576	HRQNQGYOKJAUID-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154672
CCNCCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)c(c2)NCc1ccc(cc1)F	PC-id_70917171,SCHEMBL13480141	519.586	ZJYABBCKVBDZRZ-STZFKDTASA-N	00000010100000110100000000001010000000000000000000000000	31-01-154673
CN(CCC1CNCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)c(c2)NCc1ccc(cc1)F)C	SCHEMBL3144523,PC-id_68527774	519.586	ZEQHGCGCQZHNHK-NHDPSOOVSA-N	00000010100000110100000000001010000000000000000000000000	31-01-154674
CN(CCN1CCCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(F)c(c2)NCc1ccc(cc1)F)C	SCHEMBL3141066,PC-id_68526507	519.586	NCDKHCBURMCIHJ-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-154675
Fc1cc2/C(=C/c3[nH]c4CCCN(C(=O)c4c3C)CCN(C)C)/C(=O)Nc2cc1NCc1ccc(F)cc1	PC-id_25115604	519.586	NCDKHCBURMCIHJ-STZFKDTASA-N	00000010100000110100000000001010000000000000000000000000	31-01-154676
Fc1cc2C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CCNCC)C(=O)Nc2cc1NCc1ccc(F)cc1	PC-id_77953837	519.586	ZJYABBCKVBDZRZ-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-154677
Fc1cc2C(=Cc3[nH]c4c(C(=O)C(CNC4)CCN(C)C)c3C)C(=O)Nc2cc1NCc1ccc(F)cc1	PC-id_68527776	519.586	ZEQHGCGCQZHNHK-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-154678
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(OC)cc1)C(=O)OCC	PC-id_4141111	519.59	GUUPZFHYYSDTLB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154679
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(OCC)cc1)C(=O)OC	PC-id_4676612	519.59	YMNYKWJHUFDQJE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154680
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)ccc1)C(=O)OCC	PC-id_5098419	519.59	CMRNTENEJSNLIQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154681
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(OC)cccc1)C(=O)OCC	PC-id_4460603	519.59	YXTDGQRGFSZKDK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154682
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)COc1ccccc1)C(=O)OCC	PC-id_3588662	519.59	XAVQSEFUVAARJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154683
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)Nc1ccc(OC)cc1)CCOC)Cc1ccccc1	PC-id_46049934	519.592	ILKNFSMQTIIVRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154684
O(C(=O)c1cc(C(c2c3-c(c(C(C)(C)C)c2)ccccc3)c2c3-c(c(c2)C)ccccc3)c2-c1ccccc2)C	PC-id_15209552	522.675	FKTUGAYQJSKXTG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154955
O=C(Cc1nnc(s1)C)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041930,PC-id_138671543	519.604	VPIFQVODOBFVEL-LSDHHAIUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154685
O=C(Cc1snc(n1)C)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041581,PC-id_138671209	519.604	UROOZNMDJTYFOI-LSDHHAIUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154686
Fc1ccc(CNC(=O)CCN(CC(C)C)C(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)cc1	PC-id_46049607	519.61	LINXTZLDAGHLOD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154687
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)OCC	PC-id_19659748	519.612	MRFCYHXHKHFHEF-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154688
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1)C(=O)OCC	PC-id_73634227	519.612	MRFCYHXHKHFHEF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154689
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OC)c1ccc(cc1)C	PC-id_16923802	519.634	JBFJEZCPQFSQOA-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-154690
S(=O)(=O)(N(C1CC1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OCC	PC-id_41364304	519.634	MNXWCEMNGZLSKT-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-154691
COC(=O)c1c(NC(=S)Nc2ccc(cc2)S(=O)(=O)[N-]c2noc(c2)C)sc2c1CCCCC2	GD-id_ZINC20356904,PC-id_28875020	519.637	VTRQMPPCINRSDD-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-154692
CNc1cc(ccc1C=N)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)F	PC-id_145452025	519.65	SJUHBAYXAXJZBW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154693
COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)c1OCC(=O)N	ZINC22_408963961	519.655	KKBYBLDDDHMMOJ-WCMJOSRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154694
N#Cc1ccccc1COc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408970740	519.657	CVIOOEGNIYIXSO-KEIPNQJHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154695
N#Cc1ccccc1COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC22_408969484	519.657	OMHZYVJGXIAONG-KEIPNQJHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154696
c1(N(=O)=O)c(C)nn(Cc2cccc(c2)C(=O)Nc2sc3c(CCCCCCCCCC3)c2C#N)c1C	MCULE-2695992118,CoCoCo_6577496,EMOLS-id_4181229,GD-id_ZINC02735607,ZINC22_2735607,TIMTEC429338,SPECS-id_AK-968/41923265,PC-id_4622607	519.658	RMTROHBWDUGZHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154697
CNC(=O)Nc1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1ccs2)NC(=O)CC(N)(C)C	SCHEMBL8909736,PC-id_22870079	519.658	MAAIVTXHMHVHME-JOCHJYFZSA-N	00000000100000110100100000000010000000000000000000000000	31-01-154698
s1c2CCC(NC(=O)CC(N)(C)C)C(=O)N(c2cc1)Cc1ccc(cc1)c1c(NC(=O)NC)cccc1	PC-id_19067070	519.658	MAAIVTXHMHVHME-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-154699
CCN(CCOc1c(C)cc(cc1CC)C(=O)c1c(CC(=O)O[C@@H](CC)C)oc2c1C#CC/C=CCC2)C	PC-id_143398430	519.672	OQUPJCZDZLJJFH-GCFNWXKCSA-N	00000000100000110110000000000010000000000000000000000000	31-01-154700
COc1ccc(cc1)CN1CCCOCCCc2c(C1=O)n(CC)nc2C[C@H](COCc1ccccc1)C	PC-id_142374812	519.675	ZNTOZGRLIFPQNM-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-154701
COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)sc2c1CCCCC2	EMOLS-id_43859531,CoCoCo_3374515,ZINC22_34859014,MCULE-6441322169,PC-id_2567421	519.677	XLDUOGYZIODIGP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154702
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC)c1ccc(cc1)C	PC-id_22197163	519.677	PQLUJSIYVAUEQJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154704
C=C/C=C(C(=CC=C)C(N)N)/C(=O)N(CCCC1(CC)CC1CNC(=O)c1cc2=CCC=NC=c2o1)CC	PC-id_145629441	519.678	CHKLNZZYFKTPSH-QEUMEHMPSA-N	00100000100000000110000000000010000000000000000000000000	31-01-154705
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(c2ccc(cc2)C)ccc1C#N)C(=O)OCC	PC-id_23889456	519.678	XANGAQBAANJRBO-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-154706
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(c2ccccc2)ccc1C#N)C(=O)OCC	PC-id_23889462	519.678	QBXAXSVWSIWFQP-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-154707
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(c2ccc(cc2)C)ccc1C#N)C(=O)OC	PC-id_23775352	519.678	KSKCQWSKUMUTET-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-154708
Cc1c2-c(c(cc2C=Cc2cc(c3-c2c(ccc(c3)C(C)C)C)C=O)C=[N+](C(C)(C)C)[O-])cc(cc1)C(C)C	PC-id_88955513	519.716	IQMVMUVMKSFSIE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154709
O=Cc1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(C)(C)C)[O-]	SCHEMBL12743777	519.716	IQMVMUVMKSFSIE-WVMCBZOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154710
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCCC)CCCC)cc1)C(=O)NC	PC-id_42388427	519.72	LAPKOVLCDJLWOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154711
S(=O)(=O)(N(CC(C)C)CC(C)C)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)cc1	PC-id_42388412	519.72	DKPDTUZWFCVMSD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154712
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_19654338	519.721	BDYBMSFBHMUTKT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154713
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC=C)C#N	PC-id_20124834	519.725	VPRHNDBQSARSOP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154714
O=C(c1c(sc2c1CCCCC2)NC(=O)[C@H]1CCCN1S(=O)(=C)c1cccs1)N1CCCCC1	SCHEMBL12057597,PC-id_57971099	519.743	GOIKGTMTQHZQEM-ASZMPQRDSA-N	00000010100110000100000000000010000000000000000000000000	31-01-154715
S(=O)(=C)(N1C(CCC1)C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2)c1sccc1	PC-id_76677874	519.743	GOIKGTMTQHZQEM-UHFFFAOYSA-N	00000010100110000100000000000010000000000000000000000000	31-01-154716
C[C@H]1C/C(=CC=C/C(=O)O[C@H](CO[Si](C(C)(C)C)(C)C)Cc2nc([C@H](C/C=CC(=O)O1)C)cs2)/C	PC-id_102533275	519.769	YAHDGVALMJDMKZ-CBZRVWJKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154717
s1c2nc(C(CC=CC(=O)OC(CC(=CC=CC(=O)OC(CO[Si](C(C)(C)C)(C)C)C2)C)C)C)c1	PC-id_85376274	519.769	YAHDGVALMJDMKZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154718
s1c2nc([C@H](C/C=C/C(=O)O[C@H](C/C(=C/C=CC(=O)O[C@H](CO[Si](C(C)(C)C)(C)C)C2)/C)C)C)c1	PC-id_11038625	519.769	YAHDGVALMJDMKZ-DYHZJDPSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154719
Clc1cc(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)ccc1F	PC-id_21164690	520.042	CPLFSJXMYYAIOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154720
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)ccc1F	PC-id_21164585	520.042	ASVCPJWGYGKMHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154721
Clc1c(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)ccc(F)c1	PC-id_19633946	520.042	AKQKPNATINKNCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154722
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)C)ccc(F)c1	PC-id_19640671	520.042	SDQJHEIWPHJHCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154723
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)ccc(F)c1	PC-id_19633843	520.042	VXIYGDNAODEYCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154724
C1CN(CCC1(CN2C=C=CN3C(=CN=C3C2=O)Br)O)C(=O)CC(C4=CC=CC=C4)C(F)F	PC-id_155206109	520.092	UVVVMVDYUHJTHP-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-154725
c1(c2CCCCCCCCCCc2sc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)OC(C)C	TIMTEC263770,CoCoCo_6789554,ZINC22_2759625,EMOLS-id_4181331,PC-id_3521375,MCULE-8866221541	520.124	KJVVQJYXSXEVQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154726
c1(c2CCCCCCCCCCc2sc1NC(=O)C(C)Oc1cc(C)ccc1Cl)C(=O)OC(C)C	EMOLS-id_4181329,PC-id_4512254,MCULE-1900802403,TIMTEC207346	520.124	HZGOTKARBARZOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154727
Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCCCCCCC3)c1	CoCoCo_6798111,ZINC22_20357257,PC-id_28875176	520.124	HZGOTKARBARZOB-HXUWFJFHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154728
Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCCCCCCC3)c1	CoCoCo_6798112,ZINC22_20357258,PC-id_28875177	520.124	HZGOTKARBARZOB-FQEVSTJZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154729
C1CC(CCC1CCN2CCC3=C(CC2)SC(=N3)OCC(F)(F)F)CC(=O)C4=C5C=CC=CN5N=C4	PC-id_152866889	520.212	TYQJISOMGMVBPC-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154730
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NC	PC-id_155171349	520.236	PHPDHCNQSNRHNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154731
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCCOC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C	PC-id_155171342	520.236	CFALIBJYYBPCMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154732
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C	PC-id_155171362	520.236	ONHAJMGXTACUCF-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154733
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C#N	PC-id_3618773	520.336	DHSJKIXXHSFMLO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-154734
Clc1c(C(=O)NC(Nc2sc3c(CCCCC3)c2C#N)(C(F)(F)F)C(=O)OC)ccc(Cl)c1	PC-id_4088909	520.352	BPDOOUXPUUAKDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154735
C1CN(Cc2cc(nn2C1)C(=O)N1CCOCC1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_86345925,SCHEMBL16093894	520.425	CENGLJTYVPPXAQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154736
Clc1ccc(cc1)C(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)OC(=O)c1ccccc1Cl	PC-id_102526293	520.446	HMMPDQVQHRJRTD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154737
Clc1ccc(cc1)C(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)OC(=O)c1cccc(c1)Cl	PC-id_102526294	520.446	IHKXDJCCJNJAGK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154738
Clc1ccc(cc1)C(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)OC(=O)c1ccc(cc1)Cl	PC-id_102526297	520.446	ABZXBSOFQYCOFU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154739
N#Cc1c(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2Cl)sc2c1CCCCC2	PC-id_2409047,MCULE-2249480869,CoCoCo_3784531,ZINC22_3293420	520.451	ZVQGZLAHWXXUJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154740
Brc1oc(c2n(CCC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc1	PC-id_19725036	520.466	YZRKJDLAIMDRDP-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-154741
Brc1oc(c2n(C(C)C)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc1	PC-id_19725190	520.466	XDSSHEMCSHODBB-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-154742
Brc1oc(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)cc1	PC-id_19724728	520.466	ADSCALMKGGAHDX-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-154743
CC(OC(=O)N1CCCC(c2c1n(C)nc2)N(C(=O)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	PC-id_11577228,SCHEMBL4768200	520.468	RCXDZGOKLWUFCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154744
Clc1c(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)ccc(Cl)c1	PC-id_19728929	520.498	BGIRPAGZGYPNNY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154745
Clc1cc(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)ccc1Cl	PC-id_19729198	520.498	WJWWWIPTLBMRMW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154746
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1ccccc1	PC-id_141350343	520.572	LUWJUAZUARRMNF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154747
CCOC(=O)c1c(NC(c2ccccc2)Nc2nc3-c(c2C(=O)OCC)ccccc3)nc2-c1ccccc2	PC-id_102048943	520.578	SRIJWHNVTIYUEB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154748
C1CC1c1ncc(cc1)Nc1nc(c(cc1)C(=O)c1c[nH]c2c1C(=NC1CCS(=O)(=O)C1)CC=CN2)F	PC-id_137161485	520.579	RUABUSIJRAKEPW-UHFFFAOYSA-N	00100010100000101110100000000010000000000000000000000000	31-01-154749
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNCc1cc2c(cc1)OCO2)Cc1ccccc1C#N	PC-id_134805629	520.582	QMNOLPLVYNDVLD-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-154750
CC(C1=C(C)N(CC(c2c1c(n[nH]2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	PC-id_145409506	520.587	OZAFYPXZISILED-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-154751
COC(=O)c1c(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)sc2c1CCCCC2	PC-id_2530918,MCULE-9356608940,ZINC22_3411964,CoCoCo_2969428,EMOLS-id_43738274	520.62	XBBICQQMKMKFQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154752
O(c1c2-c(c(c1)/C=N/c1ccc(c3ccc(/N=C/c4c5-c(c(OC)c4)ccccc5)cc3)cc1)ccccc2)C	PC-id_10529981	520.62	DARQEMAYOVTNIL-DNJOOXRZSA-N	00000010100000110110100000000010000000000000000000000000	31-01-154753
c1(NC(=S)NNC(=O)C(C)Oc2ccc(cc2N(=O)=O)C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2573939679,PC-id_2954716,TIMTEC365785,EMOLS-id_2469265	520.622	OTUJCISGTNWTFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154754
CCOC(=O)c1c(NC(=S)NNC(=O)[C@H](Oc2ccc(cc2[N+](=O)[O-])C)C)sc2c1CCCCC2	PC-id_2205474,CoCoCo_990511	520.622	OTUJCISGTNWTFR-CQSZACIVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154755
CCOC(=O)c1c(NC(=S)NNC(=O)[C@@H](Oc2ccc(cc2[N+](=O)[O-])C)C)sc2c1CCCCC2	PC-id_2205475,CoCoCo_990510	520.622	OTUJCISGTNWTFR-AWEZNQCLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154756
O/C=C/C(=CC(=C(N=C)/C)NC(=O)CC1=CC=CCc2c1[nH]n(c2=O)CCN1CCCC1)/N1CCCC1=O	PC-id_142890627	520.623	GXZAUAHRZPXSDY-QCTNVACXSA-N	00000010100000000111000000000010000000000000000000000000	31-01-154757
CN1NC(C)(C)CNc2c(C1=S)c(S(=O)c1ccccc1)n(c2C)Cc1ccc(cc1)C(F)(F)F	PC-id_144007109	520.633	IJKLXBRPYOTTSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154758
COc1ccc(cc1CN(C(=O)c1sc2c(c1C)C(=CCC=C2F)F)C1CCCCC1)c1ccncc1	PC-id_143520216	520.633	VZMMUDKNKLMXKT-UHFFFAOYSA-N	00000000100010111110100000000010000000000000000000000000	31-01-154759
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCC(=O)OC	ZINC22_408970554	520.64	BHICNAZXMDKRAJ-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154760
CCOC(=O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408969337	520.64	MEFBOVDIVBCYDU-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154761
Cc1c2-c(c(cc2C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)Oc2ccccc2)C)cc(cc1)C(C)C	PC-id_91589967	520.641	JXIROIRNGFDVLJ-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-154762
CC(c1ccc(c2-c(c1)c(C)cc2/C=C
/C(=O)NC(=S)N(C1=O)c1ccc(cc1)Oc1ccccc1)C)C	PC-id_140485888	520.641	JXIROIRNGFDVLJ-VEILYXNESA-N	00000010100010110111100000000010000000000000000000000000	31-01-154763
c1(NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2cc(on2)C)sc2c(CCCCC2)c1C(=O)OC	MCULE-5803606060,EMOLS-id_4181619,TIMTEC224936,PC-id_17282293,CoCoCo_6829202,ZINC22_20356904	520.645	ISSKBKHAEBBLOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154764
CCOC(=O)Cn1nc(c2c1C=CN(N=C(S2(=O)=O)N)C(=O)N(C1CCCCC1)C1CCCCC1)C	PC-id_144211072	520.645	XYIZIKQEPAZIFH-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-154765
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(nn1)NC(=O)c1occc1)C)C(=O)OCC	PC-id_24132451	520.645	JOEDYPPGDWTMPY-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-154766
CCCCc1cccc2c1[nH]cc2C(c1ccccc1OCC(=O)O)c1c[nH]c2c1C=CC=CCCCC2=C	PC-id_89185913	520.661	ZFFJHVQGLKXENF-UHFFFAOYSA-N	00000000100000110110000001100010000000000000000000000000	31-01-154767
CCCCc1cccc2c1[nH]cc2C(c1c[nH]c2c1/C=CC=CCCCC2=C)c1ccccc1OCC(=O)O	SCHEMBL13844971	520.661	ZFFJHVQGLKXENF-DEXRQOOTSA-N	00000000100000110110000001100010000000000000000000000000	31-01-154768
CCOC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CC(C)OC(C)C2)sc2CCCCCc12	MCULE-1190641087,EMOLS-id_5471800,PC-id_3353625	520.661	YWOSJEPKVMFQOR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154769
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2c1CCCCC2	CoCoCo_5015592,PC-id_27870073,ZINC22_18176955	520.661	YWOSJEPKVMFQOR-CALCHBBNSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154770
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CCCCC2	PC-id_42224128,CoCoCo_5015594,ZINC22_11852858	520.661	YWOSJEPKVMFQOR-IRXDYDNUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154771
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CCCCC2	ZINC22_11852859,CoCoCo_5015593,PC-id_42224129	520.661	YWOSJEPKVMFQOR-IAGOWNOFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154772
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccc(OC)cc1	PC-id_16862887	520.661	YCKLGSRROPEUSQ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-154773
S(=O)(=O)(N(CC1OCCC1)C)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_16833639	520.661	WQPAEQLSXYVVLJ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-154774
CCCCC(=O)[N-]S(=O)(=O)c1ccccc1c1ccc(cc1)Cn1c(CCC)nc2c1C(=O)CCCC2	GLL_PC-id_44213457	520.663	BESMLDWTSCZFRK-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-154775
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C=C/c2ccccc2)ccc1)C(=O)OC	PC-id_18909140	520.663	WQIPCGQIYRGYMT-FOCLMDBBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154776
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C=Cc2ccccc2)ccc1)C(=O)OC	PC-id_73470658	520.663	WQIPCGQIYRGYMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154777
CC(CC(C(=O)NC1Cc2cnsc2CCCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109559,PC-id_138730405	520.665	ADFLXPUINIFWSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154778
CC(CC(C(=O)NC1CCc2cnsc2CCCCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	PC-id_138731215,SCHEMBL21110375	520.665	YGCFFAHIGICYBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154779
CC(CC(C(=O)NC1CCCCc2csnc2CCNC(=O)C1=O)NS(=O)(=O)c1ccccc1)C	SCHEMBL21109850,PC-id_138730693	520.665	FDRIWMPJRNPGNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154780
CCOc1ccc(c(c1)OC)n1c(NC)c(c(c1N)C(=NC)N)C(=C)NCc1n[nH]c2c1CCCCCC2	PC-id_142852116	520.67	ZIQWOGMHXNRQLI-UHFFFAOYSA-N	00000000110000110101100000000010000000000000000000000000	31-01-154781
s1c2CCCN(CCCCN3CCC(=C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C(=O)c2cc1C	PC-id_21695251	520.676	QSQUOMABZSXZHG-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-154782
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(c(c1C#N)C)C(=O)OCC)C)C(=O)OCC	PC-id_23886654	520.685	JNFWNPMDWSXXCC-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-154783
S(=O)(=O)(N1CC[NH+](CC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1cc(c(cc1)C)C	PC-id_2567420	520.685	XLDUOGYZIODIGP-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-154784
s1c2CCCCCc2c(c1NC(=O)c1sc(C(=O)Nc2sc3CCCCCc3c2C#N)cc1)C#N	PC-id_4216144	520.689	NVXMLDQIJVHAAD-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-154785
S(=O)(=O)(N(CC(C)C)CC(C)C)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_24047515	520.704	FGBXIUBZXOMJBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154786
CN(c1ccc(cc1)C(C(c1ccc2-c1ccccc2)c1ccc2-c1ccccc2)c1ccc(cc1)N(C)C)C	PC-id_101951153	520.706	BZEACCYYAVGUDH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154787
CN(c1ccc(cc1)[C@H]([C@@H](c1ccc2-c1ccccc2)c1ccc(cc1)N(C)C)c1ccc2-c1ccccc2)C	PC-id_101951154	520.706	FKUSRYYAEHALPS-MAZIBIHTSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154788
CN(c1ccc(cc1)[C@@H]([C@@H](c1ccc2-c1ccccc2)c1ccc(cc1)N(C)C)c1ccc2-c1ccccc2)C	PC-id_101951155	520.706	FKUSRYYAEHALPS-XPSQVAKYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154789
CN(c1ccc(cc1)[C@H]([C@H](c1ccc2-c1ccccc2)c1ccc(cc1)N(C)C)c1ccc2-c1ccccc2)C	PC-id_101951156	520.706	FKUSRYYAEHALPS-UWXQCODUSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154790
N#Cc1c(NC(=O)C2CCC(C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)sc2c1CCCCC2	EMOLS-id_43827662,MCULE-6014743632,PC-id_2375460,ZINC22_3258698	520.709	PSBOGTQUJGYGKF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-154791
N#Cc1c(NC(=O)[C@@H]2CC[C@H](CC2)C(=O)Nc2sc3c(c2C#N)CCCCC3)sc2c1CCCCC2	CoCoCo_3268403	520.709	PSBOGTQUJGYGKF-IYARVYRRSA-N	00000000100010000100000000000010000000000000000000000000	31-01-154792
N#Cc1c(NC(=O)[C@@H]2CC[C@@H](CC2)C(=O)Nc2sc3c(c2C#N)CCCCC3)sc2c1CCCCC2	CoCoCo_3268404	520.709	PSBOGTQUJGYGKF-HDICACEKSA-N	00000000100010000100000000000010000000000000000000000000	31-01-154793
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC=C)C#N	PC-id_19641978	520.713	KCFABBFPFJFTDF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154794
O=C(Cc1cnc(s1)C)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(C)C	PC-id_145451656	520.726	SBWPBQSRUNFYCF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154795
c1(NC(=O)c2csc3CC(C(C)(C)C)CCc23)sc2c(CCCCC2)c1C(=O)NCc1ccccc1	TIMTEC160949,PC-id_4513691,MCULE-7709718548,EMOLS-id_4181655	520.749	FZEQVCMJZWIQBT-UHFFFAOYSA-N	00000000100010110100000000010010000000000000000000000000	31-01-154796
CC(C)(C)[C@@H]1CCc2c(C(=O)Nc3sc4c(c3C(=O)NCc3ccccc3)CCCCC4)csc2C1	CoCoCo_6798022,ZINC22_20467869,PC-id_28963307	520.749	FZEQVCMJZWIQBT-HXUWFJFHSA-N	00000000100010110100000000010010000000000000000000000000	31-01-154797
CC(C)(C)[C@H]1CCc2c(C(=O)Nc3sc4c(c3C(=O)NCc3ccccc3)CCCCC4)csc2C1	CoCoCo_6798023,PC-id_28963308,ZINC22_20467870	520.749	FZEQVCMJZWIQBT-FQEVSTJZSA-N	00000000100010110100000000010010000000000000000000000000	31-01-154798
Clc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2cc(Cl)c(Cl)cc2)c1	PC-id_19523736	520.763	UINHRBZYRXOWPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154799
Clc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2c(Cl)cccc2Cl)c1	PC-id_19523814	520.763	NKPZCAKHJYDQFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154800
Clc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2c(Cl)cc(Cl)cc2)c1	PC-id_19523743	520.763	NTWTUHIQVZICFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154801
CC/C=C(/N(CCCCOC/C=C/C(=C)CNC1=Cc2[nH]cc(c2C=CC1)CC1CCN(CC1)C)C)CC	SCHEMBL21088325,PC-id_138711227	520.792	AXAJKFQSRVSNFJ-QVAABUKJSA-N	00000000100010000110000000000010000000000000000000000000	31-01-154802
COCOC1/C=C(/C)CCCCC(=O)NC(c2nc(/C=C/C=CC1O[Si](C(C)(C)C)(C)C)cs2)C	PC-id_102510152	520.8	HMFFWGGFBGSDQL-QPXUIDTDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154803
s1c2nc(C=CC=CC(O[Si](C(C)(C)C)(C)C)C(OCOC)C=C(CCCCC(=O)NC2C)C)c1	PC-id_76185859	520.8	HMFFWGGFBGSDQL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154804
s1c2nc(/C=C/C=C/C(O[Si](C(C)(C)C)(C)C)C(OCOC)/C=C(/CCCCC(=O)N[C@H]2C)C)c1	PC-id_11027733	520.8	HMFFWGGFBGSDQL-UPIPEINRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154805
CN(C/C=C(/C=C/C(=C/C1CC(=O)/C=CC=C(/C)CC(C)CC(=C)CCCCc2nc(C1)sc2)/C)C)C	PC-id_145651982	520.812	DTZVPSNZEDUPGL-NTUBSVLISA-N	00000000100000000111000000000010000000000000000000000000	31-01-154806
c1(c(CCCCCCCCCCCCC)cc2-c1cccc(c2)C(C)C)CCCCCCCCCCCC	PC-id_19815753	520.915	KFJNDALWCRMONE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154807
Clc1ccc(CCC2C(N(S(=O)(=O)c3ccc(OC)cc3)CCc3sccc23)C(=O)NO)cc1	PC-id_54112911	521.049	NIIGPYUNRFDJEP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154808
Clc1ccc(CC[C@@H]2[C@H](N(S(=O)(=O)c3ccc(OC)cc3)CCc3sccc23)C(=O)NO)cc1	PC-id_57031764	521.049	NIIGPYUNRFDJEP-GMAHTHKFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154809
ONC(=O)[C@H]1[C@H](CCc2ccc(cc2)Cl)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966480	521.049	NIIGPYUNRFDJEP-FYYLOGMGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154810
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)c(OC)cc1	PC-id_19731489	521.052	MCELSGZPXPEUIS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154811
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc1	PC-id_19733389	521.052	SNDRLYXDTOHOSF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154812
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cccc1	PC-id_19631815	521.052	ZFVFFHZHNOQRKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154813
CC(=O)N1CCCN(CC1)Cc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1cc(ccc1)Cl	PC-id_134808979	521.054	NZGWQMGWNDZMRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154814
CC(=O)N1CCc2nc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)sc2CC1	CHEMBL3330852,BindingDB_PC-id_118713251,PC-id_118713251	521.055	AFQYXXPESDOWNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154815
C#CCOc1c(Cl)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC	ZINC22_408973557	521.07	UHDQPTQBYDBIIG-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-154816
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2C)C)c(F)ccc1	PC-id_20167031	521.07	LQOPXRWZPZFAFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154817
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2)ccc(F)c1	PC-id_20174033	521.07	ILRPCJTWZIGTFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154818
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2)c(F)ccc1	PC-id_20173264	521.07	DEBWGNIHLITKGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154819
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cc2)c(F)ccc1	PC-id_20167706	521.07	CILSTEQJLXCIEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154820
Clc1ccc(N2CCN(CCCN3CCC(OC)c4n(cc(c4C3=O)C)Cc3ccccc3)CC2)cc1	PC-id_22737930,SCHEMBL6770330	521.093	YFRDZLUHJQXXKX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-154821
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)C(=O)N2CCCC2)cc1	PC-id_72246274	521.095	ADRZVZSHAXFSQL-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-154822
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)C(=O)N2CCCC2)cc1	SCHEMBL13394967,PC-id_59285173	521.095	ADRZVZSHAXFSQL-SJORKVTESA-N	00000010100100000100000000000010000000000000000000000000	31-01-154823
CC1=CC=CN1[C@@H](C)[C@](C#N)([C@@H]2C(C(=O)C=CC3=CC=C(N23)C)I)O[Si](C)(C)C	PC-id_154721903	521.1	BZVUUJMNTXEBGW-IRFPFTSISA-N	00000000110000000110000000000010000000000000000000000000	31-01-154824
CC1=C(SC2=C1SC[C@@H](C(=O)N2C)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4)C#CC5CCOCC5	PC-id_148280409	521.156	KVHBHLKTQLZKCZ-IBGZPJMESA-N	00000000100010110101000000000010000000000000000000000000	31-01-154825
CCSC1(SCC)CCN(C(=O)c2c1n(C)cc2)CCCN1CCN(CC1)c1ccc(cc1)Cl	PC-id_22738090,SCHEMBL6780154	521.181	RHCSLSKEIDGTRC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-154826
C1CN(Cc2cc(nn2C1)C(=O)N1C2CCC1CC(C2)C(=O)O)C(=O)OCc1cc(cc(c1)Cl)Cl	SCHEMBL16100542,PC-id_90461152	521.393	XPVLPPJLVKLOBG-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-154827
CC(c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)Cl)N1C2CCC1CC(C2)C(=O)O	SCHEMBL16100187,PC-id_90460870	521.436	PSENLFFLPSULEY-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-154828
CCOC(=O)C(c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C	PC-id_117616637,SCHEMBL16129832	521.453	QVVXLJPDFDYVNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154829
O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc23)c(Cl)c1)c1ccccc1c1ccccc1	PC-id_10459367,CHEMBL162910	521.457	MUTJVQBEVKLLQN-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-154830
Fc1cc(CCC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)ccc1OC(F)(F)F	PC-id_118394537,SCHEMBL17112977,BindingDB-id_913867	521.467	YDCAZIJEAPBGIW-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-154831
C#CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_409014189	521.469	MLBHUQDQOMZLAJ-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154832
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)C)C#N	PC-id_21164253	521.578	VKRZBGLSXKOBQJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154833
Fc1ccc(CNC(=O)CCN(C(=O)c2nn3CCCN(C(=O)c3c2)Cc2ccccc2)CCOC)cc1	PC-id_46049620	521.583	NIROVHNEXFDGKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154834
c1ccc(cc1)CN=Cc1c(nc2-c1ccccc2)N=P(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_102184118	521.591	NMFGOZKODBYWBN-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154835
O=C(c1cccc2n1ccn2)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671452	521.598	GQIBTWZPWHBBMD-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154836
O=C(c1cccc2n1ccn2)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041836	521.598	GQIBTWZPWHBBMD-IYARVYRRSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154837
O=C(c1cccn2c1ccn2)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671898	521.598	ACHPWXGRSDAEAF-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154838
O=C(c1cccn2c1ccn2)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21042322	521.598	ACHPWXGRSDAEAF-IYARVYRRSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154839
O=C(c1ccn2c1cccn2)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671538	521.598	DLUXSDHIHVKKNM-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154840
O=C(c1ccn2c1cccn2)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041925	521.598	DLUXSDHIHVKKNM-IYARVYRRSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154841
O=C(c1cnn2c1cccc2)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671527	521.598	AZHBZXBWZQDPFG-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154842
O=C(c1cnn2c1cccc2)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041914	521.598	AZHBZXBWZQDPFG-IYARVYRRSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154843
CCOC(=O)N1CCC(CC1)NCCOc1ccc(cc1OC)NC(=O)/C=C/c1n[nH]c2=CC=CCC=c12	PC-id_142996530	521.608	HEJNLYOIICHWDG-ZRDIBKRKSA-N	00000000100010110111000000000010000000000000000000000000	31-01-154844
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1occc1)C#N)C(=O)OC	PC-id_23746204	521.611	CTGOJBJHKGCPBF-UHFFFAOYSA-N	00000000101000101100100000000010000000000000000000000000	31-01-154845
c1(NC(=O)c2ccc(COc3ccc(cc3N(=O)=O)C)o2)sc2c(CCCCCCCCCC2)c1C#N	SPECS-id_AK-968/41924824,TIMTEC421274,PC-id_4689979,ZINC22_8455624,MCULE-5711179771,CoCoCo_6576801,EMOLS-id_5121041	521.628	RDOJHZJWEHNCMK-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-154846
COc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)c1OC	ZINC22_408971131	521.628	MULBKMWDKPAVLE-MUFRIFMGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154847
C(O)(c1ccccc1)(c1ccccc1)C(=O)Nc1ccc(cc1)C(=O)Nc1c(C#N)c2CCCCCc2s1	PC-id_33776838,CoCoCo_5899229,EMOLS-id_15746874,MCULE-8721154724,ZINC22_26505141	521.629	YLXWGENPZWYNGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154848
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)C=Cc1sccc1)C(=O)OCC	PC-id_5046176	521.63	NNKQNRFAQGMEKB-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-154849
c1(c2CCCCCc2sc1NC(=O)CN1CCN(c2ccccc2F)CC1)C(=O)c1ccccc1OC	ZINC22_35288774,EMOLS-id_24665805,MCULE-6248057702,ASN-06262741,PC-id_43814208	521.646	LWSVTGFUGPYJEM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-154850
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc(F)c2)C(=O)OC	PC-id_5130034	521.648	SGAZPNDJSZFMPL-RWEWTDSWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-154851
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)C)cc1)C(=O)NC(=O)OCC	PC-id_44993396	521.649	ZBAQWALLWHWZHC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154852
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccc(OC)cc1	PC-id_22200390	521.649	FGEKMEFHZUYKLY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154853
CC(C)(C)OC(=O)N1CCC(CCn2cc3c(n2)C(=O)N[C@H](Cc2ccccc2)CN3C(=O)C2CC2)CC1	BindingDB_PC-id_44241649,PC-id_44241649,CHEMBL569036	521.651	QLQPJTFWTGFRKM-HSZRJFAPSA-N	00100000100010110101000000000010000000000000000000000000	31-01-154854
CC(C)(C)OC(=O)N1CCC(CCn2cc3c(n2)C(=O)N[C@@H](Cc2ccccc2)CN3C(=O)C2CC2)CC1	CHEMBL570438,PC-id_45486047,BindingDB_PC-id_45486047	521.651	QLQPJTFWTGFRKM-QHCPKHFHSA-N	00100000100010110101000000000010000000000000000000000000	31-01-154855
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	PC-id_75036192	521.651	WVGLRASGSLBUCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154856
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	CHEBI:113345,PC-id_44505653	521.651	WVGLRASGSLBUCZ-JWZKTCGFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154857
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	CHEBI:96109,PC-id_44505061	521.651	WVGLRASGSLBUCZ-SXDGJLEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154858
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	CHEBI:96838,PC-id_44506084	521.651	WVGLRASGSLBUCZ-AWVRMFGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154859
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	CHEBI:96979,PC-id_44506089	521.651	WVGLRASGSLBUCZ-LXWOLXCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154860
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	PC-id_44505048,CHEBI:131267	521.651	WVGLRASGSLBUCZ-MRJKTFCFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154861
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	PC-id_44505060,CHEBI:96910	521.651	WVGLRASGSLBUCZ-MVOZIGHISA-N	00000000100000110101000000000010000000000000000000000000	31-01-154862
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	PC-id_44505894,CHEBI:113390	521.651	WVGLRASGSLBUCZ-UXWDXCIHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154863
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	PC-id_44506090,CHEBI:95587	521.651	WVGLRASGSLBUCZ-IWHLBADBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154864
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	CHEBI:112468,PC-id_44495969	521.651	CUSMSBFNEHNGNQ-UXWDXCIHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154865
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	CHEBI:95513,PC-id_44493079	521.651	CUSMSBFNEHNGNQ-SXDGJLEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154866
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	CHEBI:96948,PC-id_44493583	521.651	CUSMSBFNEHNGNQ-MVOZIGHISA-N	00000000100000110101000000000010000000000000000000000000	31-01-154867
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	CHEBI:96967,PC-id_44495441	521.651	CUSMSBFNEHNGNQ-JWZKTCGFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154868
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	PC-id_44492583,CHEBI:96686,CHEMBL1873627	521.651	CUSMSBFNEHNGNQ-MRJKTFCFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154869
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	PC-id_44493078,CHEBI:96905	521.651	CUSMSBFNEHNGNQ-LXWOLXCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154870
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	PC-id_44494082,CHEMBL1870999,CHEBI:112467	521.651	CUSMSBFNEHNGNQ-IWHLBADBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154871
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(Oc2ccccc2)cc1)C	PC-id_44494941,CHEBI:96767	521.651	CUSMSBFNEHNGNQ-AWVRMFGXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154872
O=C(N1CC(NC(=O)c2nn(CCC3CCN(CC3)C(=O)OC(C)(C)C)cc12)Cc1ccccc1)C1CC1	PC-id_74962698	521.651	QLQPJTFWTGFRKM-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-154873
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(c2ccc(OC)cc2)ccc1C#N)C(=O)OC	PC-id_23973451	521.651	UPSBZFXFRUXCSE-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-154874
O=C1N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNCc2nnn(CCN[C@H]1CCCCN)c2)C=O	PC-id_73214065	521.659	KQBGESJEEZSFTD-IHPCNDPISA-N	00000000100000000101000000000010000000000000000000000000	31-01-154875
O=C(CC1CCCC[C@@H](C(=O)CC1)NS(=O)(=O)Cc1ccccc1)NCC1=CC(=C)C=c2c(=C1)cc[nH]2	PC-id_142092540	521.671	VFOXAXHFZXZMLH-XGCAABAXSA-N	00000000100000110110000000000010000000000000000000000000	31-01-154876
S(=O)(=O)(NC(=O)CCCC)c1c(c2ccc(Cn3c4c(nc3CCC)CCCCC4=O)cc2)cccc1	PC-id_44213457	521.671	BESMLDWTSCZFRK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154877
S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)NC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_23760994	521.673	JXRWKEXHEAWQMR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-154878
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(ccc1)C(=O)NCc1ccccc1)C(=O)OCC	PC-id_20408497	521.694	RQWNUXZIHJOOSX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154879
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC)C#N	PC-id_19642205	521.697	HKTXTPNIDNYVRC-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-154880
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC=C)C#N	PC-id_17302207	521.697	VBOUGHINHONFGQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154881
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC=C)C#N	PC-id_19733074	521.697	ZXJJWRPYLJUPLG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154882
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC=C)C#N	PC-id_17269218	521.697	LIDHDOXIFMUEON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154883
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC=C)C#N	PC-id_19637055	521.697	NWQDBWTYFYLNDI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154884
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC=C)C#N	PC-id_19637395	521.697	JNRHJILUZGVDJB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154885
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC=C)C#N	PC-id_19643835	521.697	VIYXIBVRMSWTLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154886
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(CC)cc1)C)CC=C)C#N	PC-id_19639092	521.697	XWDGLULXTJUVFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154887
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC=C)C#N	PC-id_19632497	521.697	PDAJMVAVYGGYRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154888
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)C)C#N	PC-id_19642094	521.697	KVPLYCKGXPUVQK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-154889
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)CC=C)C#N	PC-id_17304622	521.697	MFRIMAKKRLFXCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154890
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC=C)C#N	PC-id_19636007	521.697	QWQGHFVDMJZJNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154891
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)CC=C)C#N	PC-id_19636361	521.697	YZHCOBBENBRDFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154892
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC=C)C#N	PC-id_19636706	521.697	PLFAHHMNFTVWFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154893
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC=C)C#N	PC-id_19643505	521.697	VMCGNKQUYXRXMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154894
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC=C)C#N	PC-id_20128907	521.697	JAENNEHDOBAXMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154895
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC=C)C#N	PC-id_21166116	521.697	WZSBAOCBQJELNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154896
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)CC=C)C#N	PC-id_21166441	521.697	KOPPLDZVYNWETI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154897
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC=C)C#N	PC-id_19632259	521.697	SIXNYLJTXSBJOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154898
O=C(c1c(sc2c1CCCCC2)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)N1CCCCC1	SCHEMBL12057616,PC-id_44197128	521.716	JIHOMISLPYVXFW-GOSISDBHSA-N	00000010100110000100000000000010000000000000000000000000	31-01-154899
S(=O)(=O)(N1CCCC1)c1ccc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_19680494	521.716	RURKASJLUYRPJT-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-154900
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2)c1sccc1	PC-id_74948469	521.716	JIHOMISLPYVXFW-UHFFFAOYSA-N	00000010100110000100000000000010000000000000000000000000	31-01-154901
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccc(cc1)C	PC-id_20180934	521.716	HCQYUYDFHVESNN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154902
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC)c1ccc(cc1)C	PC-id_20180927	521.716	POWNAEMYVCNYDX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154903
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC)c1ccccc1	PC-id_20180799	521.716	RSFKWPWGXJIAIV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154904
Cc1c2-c(c(cc2C=Cc2cc(c3-c2c(ccc(c3)C(C)C)C)OC)C=[N+](C(C)(C)C)[O-])cc(cc1)C(C)C	PC-id_88955521	521.732	MEXAUQYKFPBDLS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154905
COc1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(C)(C)C)[O-]	SCHEMBL12743802	521.732	MEXAUQYKFPBDLS-FWDZQCRDSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154906
[n+]1(CC(=O)c2ccc(Cl)cc2)c2CCCCCn2c(CNc2ccccc2I)n1	GD-id_ZINC19800542,PC-id_3501307,ZINC22_19800542,CoCoCo_5791885,MCULE-7950265149	521.802	XJEDBJZEXXOFLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154907
COc1ccc(c(c1)Cl)Oc1cc(NCc2nc3c([nH]2)C=CCC=C3)nc(n1)N1CCN(CC1)C(=O)C	PC-id_143734544	521.999	NBOWURGJYJWZQA-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-154908
CCOC(=O)c1c(NC(=O)CSc2nnc(o2)COc2ccc(cc2)Cl)sc2c1CCCCC2	PC-id_4051176,GD-id_ZINC08925055	522.037	QDNNZWMJPYHYJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154909
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)nc2)ccc(F)c1	PC-id_20179333	522.058	PDRJFHNWCXSBBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154910
C1CN(CCN2C1=C(C(=N2)C(=O)N3CCC4=NNN=C4C3)CC5=C(C=C(C=C5)OC(F)(F)F)F)C(=O)[O-]	PC-id_151577637	522.152	QFUGTTACDGILNB-UHFFFAOYSA-M	00000000100010110101000000010010000000000000000000000000	31-01-154911
C1C[C@@H](OC[C@H]1CC(=O)C2=C3C=CC=NN3C=C2)CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F	PC-id_160991192	522.191	TUQMXYHWXOZKBX-QZTJIDSGSA-N	00000000100010100101000001000010000000000000000000000000	31-01-154912
O=C(C1(COc2c(OC1)c(sc2Br)Br)C(=O)c1ccccc1)c1ccccc1	PC-id_102259377	522.206	IELCQCXJQGLRPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154913
CC1=NC=C(C=N1)/C=C/C(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_146942936	522.228	AHFRWDFGIHDQNC-VOTSOKGWSA-N	00000000100010100101000000000010000000000000000000000000	31-01-154914
CC1=NC=C(C=N1)/C=C/C(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)F)F	PC-id_161820632	522.228	XVEDCVGIMHZEDY-NSCUHMNNSA-N	00000000100010100101000000000010000000000000000000000000	31-01-154915
CC1=C2C(=NN1CC3=CC=C(C=C3)OC)C(=CN(CC2(C)C)C(=O)C4=CC(=C(C=C4)F)F)C(=O)NC(C)C	PC-id_147291104	522.244	CUFBUPSOIGWKPX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-154916
Brc1c2sc(CS(=O)(=O)CCCCCCCCCS(=O)(=O)C2)c1Br	PC-id_10839739	522.336	BSOIMRHNVMYRFZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154917
CC(C)(C)OC(=O)Nc1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460887,SCHEMBL16100208	522.441	MQABNYPRFXXWDE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154918
CC(C(C(=O)O)Nc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	PC-id_140700411	522.441	KHKFAMBHJRGWSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154919
CCC1=CC(=[I]N1CC(=O)N1CCc2c(CC1)nc(s2)N)c1ccc(c(c1)C)C	PC-id_145588021	522.445	YRGVKANRBJDUBS-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-154920
Fc1cc(CCC(=O)N2CCc3nc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)ccc1OC(F)(F)F	PC-id_118394932,SCHEMBL17113395,BindingDB-id_913870	522.455	PPSXRPJETOLWAU-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-154921
N#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br	ZINC22_409014626	522.457	NLDKMJLFOWFBFF-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154922
FC1CCN(CC1)Cc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700405	522.459	DLHAHWMNGPNMEU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154923
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)ccc(Cl)c1	PC-id_19632945	522.47	MIZZDPSBYODNFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154924
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc(Cl)cc1	PC-id_21166867	522.47	GDEVCTGTHKHCPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154925
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OC(OCC)(OCC)P=O)C	SCHEMBL8164445,PC-id_23296724	522.485	VGQRDXZHBXHLSW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154926
CC(OC(=O)N1CCCC(c2c1csc2)N(C(=O)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	SCHEMBL4770238,PC-id_11555451	522.504	JYVQJKLZQHXLQW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154927
COC(=O)c1c(NC(NC(=O)CCc2ccccc2)(C(F)(F)F)C(F)(F)F)sc2c1CCCCC2	ZINC22_2327288,MCULE-6914162340,STOCK2S-89197,PC-id_1942072,EMOLS-id_4466368,TIMTEC337076	522.504	NNSLOVPSJIHYOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154928
FC(F)(F)c1c(CC(CCCCn2c3NC=NCC(=O)c3nc2)(C(=O)OCC)C(=O)OCC)cccc1	PC-id_10506191	522.517	FIFLKZUEYXYRKM-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-154929
S(=O)(=O)(Nc1nc(cc(n1)C)C)c1ccc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)cc1	PC-id_19527293	522.543	NQQJQTQTIIUKCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154930
O=C(c1c(nc2-c1ccccc2)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1	PC-id_101457273	522.575	AFBJLRLQRUEVJJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154931
O(C(=O)c1c2-c(c(c1)C#Cc1c(c3-c(c1C(=O)OCC)ccccc3)C(=O)OCC)cccc(C(C)C)c2)C	PC-id_73294620	522.588	YXOKLLPFURWLLV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154932
O(C(=O)c1c2-c(c(c1)C#Cc1ccc3-c(c(cc3C(=O)OCC)C(=O)OCC)cc1)cccc(C(C)C)c2)C	PC-id_73294622	522.588	PHPZQZDXLGAMPY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154933
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC(F)F)cc1)C)C(=O)OC	PC-id_17307620	522.588	BUTOYPYKXZRPBF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154934
OCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O)C	PC-id_139605599	522.591	MWIJSYJGWIFEEC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154935
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(O)(C)C)S(=O)(=O)O	PC-id_139605633	522.591	WHZXNOZQDGILJC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154936
CCCCCCCCCCCCCCCCCCCc1ccc2-c1c(OCC(OCC)OC)ccc(c2)C	SCHEMBL9876445,PC-id_54464916	526.833	XEDSHKYNHPIKRF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155495
S(=O)(=O)(Nc1onc(c1C)C)c1c(c2c(F)cc(Cn3c4c(nc3C)CCCCC4=O)cc2)cccc1	PC-id_20747606	522.591	DTRAIRZVQMIWSG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154937
O=CNC(=O)N[C@@](CN(C(=O)C)Cc1ccc(cc1)OC)(Cc1cc2c(o1)NC(=NC1CC1)N=CCC2)C	PC-id_143989230	522.596	KJLATZOMMJOCCG-HHHXNRCGSA-N	00100000100000110111000000000010000000000000000000000000	31-01-154938
O=C1CCCn2nnc(c2)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N1)Cc1c[nH]c2c1cccc2)C(C)C)C	MCULE-1596913823,EMOLS-id_289989681	522.599	HNOXJNSUHNNBFG-VZPUWSDOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-154939
CC(C)c1nc2c(n1Cc1ccccc1)C=C(C(=O)c1ccccc1)S(=O)(=O)C(=C2)C(=O)c1ccccc1	PC-id_303185,NSC191269,LI_162392,CoCoCo_5525463,ZINC22_5983890	522.614	NRTIETLCUXXXTR-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-154940
s1c2c(CCCCC2)c(c1NC(=O)CCCS(=O)(=O)c1ccc(OC)cc1)C(=O)NC(=O)OCC	PC-id_41274005	522.634	SXMRHBWDSRLPDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154941
O(c1ccc(N(c2c3-c(c(N(c4ccc(OC)cc4)c4ccccc4)c2)ccccc3)c2ccccc2)cc1)C	PC-id_85692499	522.636	MFIILPYTQVRIRR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154942
O(c1ccc(N(c2cc(N(c3ccc(OC)cc3)c3ccccc3)cc3-c(c2)ccc3)c2ccccc2)cc1)C	PC-id_85699346	522.636	DFUJPQOYSKDCSC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154943
C/C=C/1NC(=O)c2csc(n2)CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)/C=C/CCSC(=O)C	BindingDB_PC-id_60151225,SCHEMBL14980392	522.637	AJEJWONOGKARDP-HQRKCSHCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154944
s1c2nc(C(=O)NC(=CC)C(=O)NC(C(C)C)C(=O)OC(CC(=O)NC2)C=CCCSC(=O)C)c1	PC-id_72664707	522.637	AJEJWONOGKARDP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154945
s1c2nc(C(=O)NC(=CC)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H](CC(=O)NC2)/C=C/CCSC(=O)C)c1	PC-id_60151225	522.637	AJEJWONOGKARDP-ZNIVWUHLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154946
CC1C=C(C=CC1c1cc(ccc1)CN1CCOCC1)Cn1c2c(C(=NCC(N2)OCCOC)N)[nH]c1=O	PC-id_137081897	522.639	PRTJUECAIGGGIZ-UHFFFAOYSA-N	00000000100011110111100000000010000000000000000000000000	31-01-154947
CCC(C)N(CCC(=O)N1CCN(CC1)C(=O)C)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049659,MCULE-3881684111,EMOLS-id_25387118	522.639	XVWKLTDHGJZPII-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154948
CC[C@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)N1CCN(CC1)C(=O)C)C	PC-id_93332106	522.639	XVWKLTDHGJZPII-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154949
CC[C@@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)N1CCN(CC1)C(=O)C)C	PC-id_93332107	522.639	XVWKLTDHGJZPII-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154950
NCCCC[C@@H]1NC(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N(C(=O)NC(c2oc1nn2)CC)CCC)C	SCHEMBL18652899	522.641	HPUHVRIMLKGEKZ-CLTRGCNDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154951
CC/C=CC1=C(C)Nc2c(CN1C(=O)c1ccc(c(c1)F)OCCCN1CCN(CC1)C1CC1)cnn2C	PC-id_143188977	522.657	ZMUMDBHWCKHXPH-ALCCZGGFSA-N	00100000100010110111100000000010000000000000000000000000	31-01-154952
CC/C=C(C=C(C1=C(C#N)CC(=Nc2n1nc(c2C)Nc1ccc(cc1)Oc1ccncc1)SC)/C=C)/C	PC-id_143056966	522.664	YWGPXZQPWQJBLM-RQOPKGJPSA-N	00000000100000111111000000000010000000000000000000000000	31-01-154953
CCC[C@@H](c1ccc(cc1)CC(C)C)Oc1ccc(cc1)C(=O)c1cc(c2-c1ccccc2)CCCC(=O)O	PC-id_139673461	522.674	FYOYXKHOWJVXDB-XIFFEERXSA-N	00000010100000110110000000000010000000000000000000000000	31-01-154954
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C)ccc1)C)C(=O)OC	PC-id_18911219	522.679	UQZNREMYFXYEMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154956
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(ccc2)C)ccc1)C)C(=O)OC	PC-id_18911351	522.679	RWYFQZBABTYNEY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154957
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(cc2)C)ccc1)C)C(=O)OC	PC-id_18911483	522.679	ABHRWBBCIATESV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154958
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(cccc2)C)ccc1)C(=O)OCC	PC-id_18911253	522.679	RDHHOYBLSYZQIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154959
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc(ccc2)C)ccc1)C(=O)OCC	PC-id_18911385	522.679	ACFCYPNZQJUVPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154960
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc(cc2)C)ccc1)C(=O)OCC	PC-id_18911517	522.679	VSQAIFZELIQART-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154961
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)Cc2ccccc2)ccc1)C)C(=O)OC	PC-id_18910955	522.679	DPUSRVPOGPFOPB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154962
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)Cc2ccccc2)ccc1)C(=O)OCC	PC-id_18910989	522.679	FWEJLFJXCKKSCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154963
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_18908811	522.679	GSIKJYCXDNRJCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154964
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(cccc2)C)ccc1)C(=O)OC	PC-id_18911254	522.679	HBADIEALKRMBPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154965
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc(ccc2)C)ccc1)C(=O)OC	PC-id_18911386	522.679	MSUHJOYBVAPLQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154966
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc(cc2)C)ccc1)C(=O)OC	PC-id_18911518	522.679	NEPFYTOGELERPO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154967
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)Cc2ccccc2)ccc1)C(=O)OC	PC-id_18910990	522.679	LDMNVNZIZJSNIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154968
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C)ccc1)c1ccccc1)C(=O)OC	PC-id_18908812	522.679	KGTUFCUNWVAESV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154969
SCC/C=C/[C@@H]1CC(=O)N[C@H](C(C)C)c2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)C(C)C	PC-id_122192004,BindingDB_PC-id_122192004	522.681	IRBKIKHESMDKHL-HGLBEQJOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154970
CC[C@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NCCN1CCCCC1)C	PC-id_93332452	522.682	FNTXLEWXHVBWGQ-HSZRJFAPSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154971
CC[C@@H](N(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CCC(=O)NCCN1CCCCC1)C	PC-id_93332453	522.682	FNTXLEWXHVBWGQ-QHCPKHFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154972
O=C(N(C(CC)C)CCC(=O)NCCN1CCCCC1)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049655	522.682	FNTXLEWXHVBWGQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-154973
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2sccc2)nn1)C(=O)OCC	PC-id_24051627	522.684	OBNCULSHPBRCLX-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-154974
N(c1ccc2-c(ccc2C(=C2c3c(C=C2)ccc(=[N+](C)C)cc3)c2c3-c(cc2)ccc(N(C)C)cc3)cc1)(C)C	PC-id_10580294	522.702	BOZVMSYQPGKYDN-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-154975
c1(NC(=S)NNC(=O)c2cc3c(CCCCC3)s2)sc(c(C)c1C(=O)OC)C(=O)N(CC)CC	MCULE-9436388458,CoCoCo_1002472,TIMTEC416719,EMOLS-id_2473155,PC-id_2211757	522.704	QYLQRJPLDBXCLA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-154976
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)C2CCCC2)nn1)C)C(=O)OCC	PC-id_23799351	522.704	USQOOLLFIPMVOY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-154977
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)C2CCCCC2)nn1)C(=O)OCC	PC-id_24021221	522.704	NCVHZRISGLSNDD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-154978
c1(NC(=O)CCCCCCC(=O)Nc2sc3c(CCCCC3)c2C#N)sc2c(CCCCC2)c1C#N	PC-id_3739786,EMOLS-id_2769111,ZINC22_2769262,TIMTEC160175,MCULE-5470147231,CoCoCo_6714832	522.725	FYIHPDDHRPOHLJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-154979
c1(NC(=O)CCCCC(=O)Nc2sc3c(CCCCCC3)c2C#N)sc2c(CCCCCC2)c1C#N	ZINC22_8432215,PC-id_4443707,EMOLS-id_4182442,SPECS-id_AK-968/12515622,TIMTEC321523,CoCoCo_6807944,MCULE-9743125751	522.725	MWHQSOSPRAKIOG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-154980
s1c2CCCCCCCCCCc2nc1NC(=O)COc1cc(NC(=S)Nc2ccccc2)ccc1	PC-id_30377299	522.725	GUOAKXSUFJBMFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154981
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC)C#N	PC-id_19641864	522.728	RNLKCEXKEJBHJX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-154982
Cc1cc(CCCN2CCCC2)cc(c1)NC(C(=C)c1c[nH]c2=CCCC=c12)c1nc2c(s1)C=CCC=C2	SCHEMBL21228621,PC-id_139374551	522.747	FAFHXLGGEDLAMV-UHFFFAOYSA-N	00000010100011110111000000010010000000000000000000000000	31-01-154983
S(C1=NC(CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCNC(=O)OC(C)(C)C)CCC(=O)N	PC-id_75217862	522.747	AWNGNMIFMSVGTI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154984
S(C1=N[C@H](CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCNC(=O)OC(C)(C)C)CCC(=O)N	PC-id_46840993	522.747	AWNGNMIFMSVGTI-FQEVSTJZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-154985
O=c1c(cc2n(c(nc2cc1CCCCC)CCCCC)Cc1ccc(cc1)c1ccccc1)CCCCC	PC-id_67942492	522.763	JGMLVXBSTKPERP-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-154986
S=C(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2	PC-id_24851620	522.826	QLUGNXVAJYYOAY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-154987
Clc1c(cc(Oc2cc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)cc([N+](=O)[O-])c2)cc1)C	PC-id_19523705	522.904	MVKPJXOWPUJSIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154988
Clc1cc(c(Oc2cc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)cc([N+](=O)[O-])c2)cc1)C	PC-id_19523836	522.904	SAISEHWNXQBYLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154989
C[C@H]1C=CC2=C(N(C=C2S(=O)(=O)N1)C)C(=O)NC3=C(C(=C(C=C3)F)Cl)I=C	PC-id_149377586	522.963	YLAKKXLKBBGFMH-VIFPVBQESA-N	00000000100000110111000000000010000000000000000000000000	31-01-154990
CCN(Cc1cn(nc1C)c1nc(ncc1)NC1=Cc2c(CC=C1)n(c(c2CCl)C)C)C(C)C(=O)N=O	PC-id_134287788,SCHEMBL19903756	523.03	OSNXLXBYWVCSFB-UHFFFAOYSA-N	00000000100000100111100000000010000000000000000000000000	31-01-154991
Clc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_20176581	523.035	UBTPSFMCOMWVRY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154992
Clc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC)C	PC-id_20176574	523.035	VKIGWIVLLJJKSN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-154993
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	CoCoCo_3061090,PC-id_2551800,ZINC22_3432219	523.046	ZRHYYENQVLUUEA-OUKQBFOZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154994
Clc1c(Cn2nc(c(c2C)C=CC(=O)OCC(=O)Nc2sc3CCCCCc3c2C#N)C)cccc1	MCULE-5180175587,PC-id_4833068,EMOLS-id_43770238	523.046	ZRHYYENQVLUUEA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154995
N#Cc1c(NC(=O)COC(=O)/C=Cc2c(C)nn(c2C)Cc2ccccc2Cl)sc2c1CCCCC2	CoCoCo_3061091	523.046	ZRHYYENQVLUUEA-SEYXRHQNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-154996
c1(NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)sc2c(CCCCCC2)c1C(=O)OC	MCULE-1970101974,TIMTEC504854,PC-id_2209053,CoCoCo_997062,EMOLS-id_2471470	523.068	VMXQVUVUWDCMDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-154997
Clc1sc(OC(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)C(=O)N2CCC2)cc1	PC-id_77947789	523.068	IGERXESYOXMNLR-UHFFFAOYSA-N	00001010100100000100000000000010000000000000000000000000	31-01-154998
Clc1sc(OC(=O)N[C@H]2C[C@@H](N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)C(=O)N2CCC2)cc1	PC-id_70893739,SCHEMBL13372914	523.068	IGERXESYOXMNLR-JKSUJKDBSA-N	00001010100100000100000000000010000000000000000000000000	31-01-154999
CNC(=O)OC[C@@H]1CC(CN1C(=O)c1cc2c(s1)CCN(CC2)C)C=NC(=O)c1ccc(s1)Cl	PC-id_145481286	523.068	NEHDZGQKKITIGA-WMCAAGNKSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155000
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2c(c1)CCN(CC2)C)C(=O)N1CCCC1	PC-id_77997431	523.111	SRYACEKOENYIDF-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-155001
ClC1=CCC(S1)C(=O)N[C@@H]1CC(N(C1)C(=O)c1sc2c(c1)CCN(CC2)C)C(=O)N1CCCC1	PC-id_71055888,SCHEMBL14044889	523.111	SRYACEKOENYIDF-LRYGQEGESA-N	00000011100000000100000000000010000000000000000000000000	31-01-155002
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cc(Cl)ccc3OCC(C)C)sc3c2CCCCCC3)c1	ZINC22_408968607	523.129	AFWLUSDVOJPDQW-VTNSRFBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155003
C1CN(CCN2C1=C(C(=N2)C(=O)N3CCC4=NNN=C4C3)CC5=C(C=C(C=C5)OC(F)(F)F)F)C(=O)O	PC-id_151577638	523.159	QFUGTTACDGILNB-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-155004
C1CN(CCN2C1=CC(=N2)C(=O)N3CCC4=NNN=C4C3)C(=O)COC5=C(C=C(C=C5)OC(F)(F)F)F	PC-id_147830976	523.159	HRBZDOKITXAUFY-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-155005
C1CN(CCN2C1=CC(=N2)C(=O)N3CCC4=NNN=C4C3)C(=O)COC5=CC(=C(C=C5)OC(F)(F)F)F	PC-id_153515780	523.159	NFRZIQAGLPSCNO-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-155006
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OC5CC(C5)(F)F	PC-id_161844610	523.214	XYFWHTNPGOKCPK-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-155007
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC5CC5(F)F	PC-id_161279716	523.214	VEXMKCFILLLDHG-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-155008
CC1=NC=C(C=N1)/C=C/C(=O)NC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)F)F	PC-id_149441706	523.223	YVWRSMPIFCRHNU-NSCUHMNNSA-N	00000000100010100101000000000010000000000000000000000000	31-01-155009
CCCNC(=O)C1=CC2=C(C=C(S2)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)OC(C)(C)C)N=C(C1)N	PC-id_161595096	523.262	LHITWFLXPRIESN-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-155010
CC1=NN2CCN(CCCC(=O)N[C@H](C(=O)N[C@@H](C2=N1)C(C)C)CC3=CC=CC=C3)C(=O)[C@@H]4CCC(=O)N4	PC-id_165427247	523.291	PNBQNNUXAUOGAX-AWRGLXIESA-N	00000010100000110101000000000010000000000000000000000000	31-01-155011
O=C(Cn1cnc2c1CC(=O)N(C(=O)N2C)C)Nc1sc(c(n1)c1ccc(c(c1)Cl)Cl)C(=O)O	SCHEMBL19036574	523.349	HIKWYIVHUFYLCQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155012
CCCCC1C(=O)N(CC(N1C=O)N(CCC)C(=O)CCC2=CNC3=C2C=CCC=C3)CC4CCNCC4	PC-id_153537182	523.352	BCSCQKQEVYBKFV-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-155013
CCOC(=O)c1c(Cl)nc2-c1ccccc2N=CC=Nc1ccccc2-c1nc(c2C(=O)OCC)Cl	PC-id_102076177	523.367	YQWJEFNQCULMCW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155014
Brc1cc(OCC(=O)Oc2c(OC)cc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)ccc1	CoCoCo_3733882,PC-id_6112001	523.379	LTCKIIRZDGFRBK-LDADJPATSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155015
Brc1cc(OCC(=O)Oc2c(OC)cc(C=C(c3n4CCCCCc4nn3)C#N)cc2)ccc1	PC-id_4444237,EMOLS-id_301001720,MCULE-7751133678	523.379	LTCKIIRZDGFRBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155016
Brc1cc(OCC(=O)Oc2c(OC)cc(/C=C(c3n4CCCCCc4nn3)/C#N)cc2)ccc1	PC-id_75408730,CoCoCo_3733883	523.379	LTCKIIRZDGFRBK-PDGQHHTCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155017
CCCC1=CC(=[I]N1CC(=O)N1CCc2c(CC1)nc(o2)C)c1ccc(c(c1)C)F	PC-id_145587889	523.382	FWXQXKJQAJJIOK-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-155018
BrP(CCC1n2c(noc2=O)CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_59923018	523.401	WSTUWQSNKQIYBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155019
Fc1cc(COC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)ccc1OC(F)(F)F	SCHEMBL17112953,BindingDB-id_913852,PC-id_118394514	523.44	VKVXAFZJLAELDA-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-155020
Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCc2cc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1	PC-id_118394553,BindingDB-id_913853,SCHEMBL17124919	523.44	CSEVSASLEZRXDM-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-155021
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(c3cccc(Cl)c3Cl)o2)sc2c1CCCCCC2	ZINC22_408972191	523.473	NFNIBHQGAVKBFH-KBVAKVRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-155022
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(c3ccc(Cl)cc3Cl)o2)sc2c1CCCCCC2	ZINC22_408970543	523.473	BEJWIMCJXVPATO-KBVAKVRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-155023
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(c3cc(Cl)ccc3Cl)o2)sc2c1CCCCCC2	ZINC22_408971299	523.473	IGSYABMXQAOQKQ-KBVAKVRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-155024
C=CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2	ZINC22_408971874	523.484	RESVQQRCAVFNMJ-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155025
O=C(C1=Cc2cn(cc2C=CN1)C(=O)c1ccc2c(c1)n[nH]n2)/C=C/c1ccc(cc1)S(=O)C(F)(F)F	SCHEMBL16963458,PC-id_118270937	523.486	WDWZQABUKKMNHN-FPYGCLRLSA-N	00000000100000110111000001000010000000000000000000000000	31-01-155026
c1(NC(=S)Nc2cnn(Cc3c(cccc3Cl)Cl)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4432438380,EMOLS-id_4182688,CoCoCo_6800029,ZINC22_20168526,PC-id_3271114,TIMTEC222286	523.498	IPULJVPSWWSEIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155027
Clc1cc(Cn2ncc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)c2)ccc1Cl	PC-id_20166727	523.498	VPUTVDMBUIQXHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155028
Clc1cc(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)c2)ccc1Cl	PC-id_20166720	523.498	SWLNSMBWWLCHAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155029
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc1Cl	PC-id_20173446	523.498	GFSGWOHLLVHZTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155030
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cc2)ccc1Cl	PC-id_20173439	523.498	LPNSGAXDELDDLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155031
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)c2)ccc(Cl)c1	PC-id_19679411	523.498	WPISAUQWHGTTNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155032
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)c2)ccc(Cl)c1	PC-id_19679404	523.498	CNNDLDNFQWPJAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155033
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)c2)c(Cl)ccc1	PC-id_20167766	523.498	ADAQUEGYCMCBBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155034
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc(Cl)c1	PC-id_20172855	523.498	ABLQJRYRQCKNKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155035
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cc2)ccc(Cl)c1	PC-id_20172848	523.498	YOCZXEWOXGGJHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155036
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn(Cc2c(Cl)cccc2)c1	PC-id_20172678	523.498	UHGDUZCHDPTLSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155037
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nn(Cc2c(Cl)cccc2)c1	PC-id_20172671	523.498	DNMBKBDDGRSAJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155038
NC(=NCCC[C@@H]1NC(=O)CNC(=O)Cn2nnc(c2)CNC(=O)[C@@H](NC(=O)CNC1=O)CC(=O)O)N	PC-id_101792958	523.503	NTEBNONNLWQGSQ-RYUDHWBXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155039
O=C1NCC(=O)NC(CC(=O)O)C(=O)NCc2nnn(CC(=O)NCC(=O)NC1CCCN=C(N)N)c2	PC-id_74392720	523.503	NTEBNONNLWQGSQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155040
O=C1NCC(=O)N[C@H](CC(=O)O)C(=O)NCc2nnn(CC(=O)NCC(=O)N[C@@H]1CCCN=C(N)N)c2	PC-id_25136795	523.503	NTEBNONNLWQGSQ-VXGBXAGGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155041
OC(=O)c1cc2=C(/C=C/C=Nc3ccccc3C)N=CCC=c2n1CCOc1ccc(cc1)OC(F)(F)F	PC-id_144508905	523.503	LVHHQZZBKWOIHR-XJOHFFLRSA-N	00000000100000110110000000000010000000000000000000000000	31-01-155042
Brc1c2oc(c1)/C=C(C[C@H](O)C#CCC[C@H]([C@H]2O[Si](C(C)(C)C)(C)C)C(=C)C)/C(=O)OC	PC-id_11168419	523.532	NJHAIBQXUJPSKQ-RXEYWNGDSA-N	00000000100000000110000000000010000000000000000000000000	31-01-155043
Brc1c2oc(c1)C=C(CC(O)C#CCCC(C2O[Si](C(C)(C)C)(C)C)C(=C)C)C(=O)OC	PC-id_85422531	523.532	NJHAIBQXUJPSKQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-155044
O=C(C(=O)C)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCOCC3)/c2cc1F	PC-id_145511596	523.556	CDTPWRFJYMTHNE-AQTBWJFISA-N	00000010100010100101000000001010000000000000000000000000	31-01-155045
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2occc2)cc1)C(=O)OCC	PC-id_4217545	523.558	SEHFWHBQZLYDFC-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-155046
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2occc2)cc1)C(=O)OCC	PC-id_9653517	523.558	SEHFWHBQZLYDFC-JFLMPSFJSA-N	00000000101000110100000000000010000000000000000000000000	31-01-155047
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2occc2)ccc1)C(=O)OCC	PC-id_19660814	523.558	ZHIRQJYVXAJAHE-JFLMPSFJSA-N	00000000101000110100000000000010000000000000000000000000	31-01-155048
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2occc2)ccc1)C(=O)OCC	PC-id_73635264	523.558	ZHIRQJYVXAJAHE-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-155049
COc1ccc(cc1)Cn1nc2c(c1C)C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(c(c1)F)F	SCHEMBL19702824	523.571	WUIXILDGAWTAPN-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155050
COc1ccc(cc1)Cn1nc(c2c1C(=CN(CC2(C)C)C(=O)c1ccc(c(c1)F)F)C(=O)OC(C)C)C	SCHEMBL19702827	523.571	QSQMBHGVDGRQIX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155051
O=C(c1cccn2c1ccn2)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671160,SCHEMBL21041531	523.571	JPWMFMLZXTXRHY-DLBZAZTESA-N	00000000100010100101000001000010000000000000000000000000	31-01-155052
O=C(c1ccn2c1cccn2)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21042356,PC-id_138671931	523.571	IPJWBNUPKLQETR-DLBZAZTESA-N	00000000100010100101000001000010000000000000000000000000	31-01-155053
COc1cc(cc(c1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1C#N)OC	PC-id_134805607	523.582	WIKYMDLMXKVKHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155054
COc1c(cc(cc1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1C#N)OC	PC-id_134806593	523.582	UBXITUAHQYTJJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155055
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2cc(ccc2)C(F)(F)F)cn1)C(=O)OCC	PC-id_20178527	523.594	MTZKRNIXXPJLLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155056
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2cc(ccc2)C(F)(F)F)cn1)C(=O)OC	PC-id_20178520	523.594	FAARFXDVXGDZHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155057
COC(=O)NC(=O)c1c(sc2c1CCCCC2)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)F	GD-id_ZINC08897938	523.597	BPYMKICDGYHETO-QGZVFWFLSA-N	00000010100000110100000000000010000000000000000000000000	31-01-155058
N#Cc1sc2c(n1)ccc(c2)OCCCNC(=O)CCc1ccc2n1C(F)(F)/N=C(C)/C=C(C(=C)C)/C	SCHEMBL19432315	523.597	SVRAIWSUWIVLGY-LIYSFXFHSA-N	00000000100000100111000001000010000000000000000000000000	31-01-155059
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OC)c1ccc(F)cc1	PC-id_16923909	523.597	BPYMKICDGYHETO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-155060
CC(C(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCCCC3)/c2cc1F)O	PC-id_25115376,SCHEMBL3136650	523.599	ZHRIRSFFZIXBKG-RGEXLXHISA-N	00000010100010100100000000001010000000000000000000000000	31-01-155061
CC(C(=O)Nc1cc2NC(=O)C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCCCC3)c2cc1F)O	PC-id_68524941,SCHEMBL3136661	523.599	ZHRIRSFFZIXBKG-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-155062
C[C@@H](C(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCCCC3)/c2cc1F)O	PC-id_59250071,SCHEMBL13415501	523.599	ZHRIRSFFZIXBKG-FJSNCCPHSA-N	00000010100010100100000000001010000000000000000000000000	31-01-155063
C[C@@H](C(=O)Nc1cc2NC(=O)C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCCCC3)c2cc1F)O	SCHEMBL14136829,PC-id_71080357	523.599	ZHRIRSFFZIXBKG-KRWDZBQOSA-N	00000010100010100100000000001010000000000000000000000000	31-01-155064
COCC(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)CC(=O)N(CCC4)CCN3CCCC3)/c2cc1F	PC-id_143515135	523.599	XUZQCXGFPZNIMK-MOSHPQCFSA-N	00000010100000100100000000001010000000000000000000000000	31-01-155065
COCC(=O)Nc1cc2NC(=O)C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCCCC3)c2cc1F	PC-id_68527826,SCHEMBL3144693	523.599	ZIBZOCQCQFLBLL-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-155066
COCC(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCCCC3)/c2cc1F	SCHEMBL3144692,PC-id_25115375	523.599	ZIBZOCQCQFLBLL-RGEXLXHISA-N	00000010100010100100000000001010000000000000000000000000	31-01-155067
N#C/C=C(/CNCc1ncc(n1/C=C(NC)/C)c1cnn(c1)Cc1nc2c(n1C)CC=CC(=C2F)F)S	PC-id_143841136	523.604	NVVVRHGPSDQPRS-BDKQQMGWSA-N	00000000100000000111100000000010000000000000000000000000	31-01-155068
Cc1ncc(/C=C/C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1	BindingDB-id_989542,SCHEMBL21041476	523.614	SGDDGYVCUYRPDC-SDAITKSUSA-N	00000000100010100101000000000010000000000000000000000000	31-01-155069
Fc1ccc(cc1)C(c1ccc(cc1)F)(C1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2C)O)O	SCHEMBL6776361,PC-id_22738035	523.614	CPSJACNSSZOMCP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-155070
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)/C=C/c1cnc(nc1)C	PC-id_138671108	523.614	SGDDGYVCUYRPDC-QPJJXVBHSA-N	00000000100010100101000000000010000000000000000000000000	31-01-155071
C1N(CCC(C(=O)OCC)C1)C(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	PC-id_46049637,EMOLS-id_25387108,MCULE-6267119914	523.624	AGMBPRUGSVTIPT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155072
CCOC(=O)C1CCCN(C1)C(=O)CCN(CC)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	EMOLS-id_25387966,MCULE-6892068097,PC-id_46049639	523.624	WCMDPORPUVXQFC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155073
CCOC(=O)[C@H]1CCCN(C1)C(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CC	PC-id_93332450	523.624	WCMDPORPUVXQFC-QFIPXVFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155074
CCOC(=O)[C@@H]1CCCN(C1)C(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)CC	PC-id_93332451	523.624	WCMDPORPUVXQFC-JOCHJYFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155075
COC1=CCC(=Cc2c1cc(n2CC)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)OC(C)(C)C)OC	PC-id_144007314	523.624	ZAYNICVWTSDAAN-UHFFFAOYSA-N	00000000100010101111100000000010000000000000000000000000	31-01-155076
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)C1CC1)CC(=O)N[C@H]2Cc1ccccc1	EMOLS-id_317358494,MCULE-5366030036,PC-id_135114611,ZINC22_1704322595	523.627	JOZPKVCIUYFXKI-VOQZNFBZSA-N	00100000100000110101000000000010000000000000000000000000	31-01-155077
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccc(F)cc1	PC-id_22200359	523.641	VFNQWVCLROWAAW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155078
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC)c1ccc(F)cc1	PC-id_22200318	523.641	UZHPTOJJWXREKL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155079
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(c2[nH]c(c(n2)C)C)cc1)CC)C(=O)OCC	PC-id_24137390	523.644	QAQCTHXSVIIKFP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155080
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(c2[nH]c(c(n2)C)C)cc1)CC)C(=O)OC	PC-id_23972374	523.644	NCYDZCFVGJWIRX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155081
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(c2[nH]c(c(n2)C)C)cc1)C)C(=O)OCC	PC-id_23972096	523.644	COQHUZJYNIVZRU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155082
c1(c2CCCCCc2sc1NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)Nc1ccccc1C	PC-id_3626796,MCULE-8180501152,EMOLS-id_6794509,ZINC22_15304569,TIMTEC66865	523.645	AYNBZMIPDIEDKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155083
CNc1ccc(c(c1)N)C(=O)Nc1cccc(c1C)C1=CN(C)C(=C)C(=N1)NC1=CCC=c2c(=C1)scn2	PC-id_143293343	523.652	YDJMQAKEHBDRQT-UHFFFAOYSA-N	00000000100011110111100000000010000000000000000000000000	31-01-155084
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)C(=O)NC	PC-id_42388432	523.665	NPEOSWNTYYOSHS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155085
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC=C)C#N	PC-id_19640324	523.67	YVTHJGBXPNUQLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155086
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC=C)C#N	PC-id_19731097	523.67	SXBGPBCLZKDHJK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155087
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)CC=C)C#N	PC-id_19633432	523.67	BVJNSXPNWCFINO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155088
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)CCCCN1CCCc2c(C1=O)cc(s2)C	SCHEMBL9038595,PC-id_19881063	523.68	BAEMFAGSCJZOBV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155089
CCCC1CC=C(C=C1)NC(=O)c1cc(OC(C)C)cc(c1)Oc1nc2c(s1)C(=O)N(CC(C2)(C)C)C	PC-id_143391697	523.687	HKWMWABOJYKHLC-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-155090
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC	PC-id_20168825	523.688	AYCWCRPBPYBWTI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155091
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1)C(=O)OCC	PC-id_19680433	523.688	KWJONHSAEKOZCL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155092
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC	PC-id_20168818	523.688	NQLBRKDOBLTZFQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155093
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1)C(=O)OC	PC-id_19680429	523.688	KXJPDKILJRFXML-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155094
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCC2)c1C(=O)OC)c1ccc(OC)cc1	PC-id_19711684	523.688	ZIDYTWZTVLTFON-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155095
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC)C#N	PC-id_17306726	523.713	NJHMRBVRWTXQQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155096
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)C)C#N	PC-id_17306787	523.713	DUSZMMFXTFXRBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155097
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC)C#N	PC-id_19632714	523.713	LBNMLZZHIUEEAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155098
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC)C#N	PC-id_17263967	523.713	LOMJEIQCPKMRCZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155099
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC)C#N	PC-id_17302182	523.713	XVQWGGFPNCTZJO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155100
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC)C#N	PC-id_17263634	523.713	PQUAOGSZXQEBTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155101
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC)C#N	PC-id_17267641	523.713	KABZBCCRIDOWBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155102
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC)C#N	PC-id_19636937	523.713	FPYZTDHXBKSMMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155103
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC)C#N	PC-id_19637624	523.713	SZSJGMSZUQFRRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155104
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)CC)C)CC)C#N	PC-id_19638986	523.713	QQSUFZIIMDYKOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155105
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)C)C#N	PC-id_17262249	523.713	IPKWBRUZCUAAPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155106
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC)C#N	PC-id_19632411	523.713	DWDJKSHDGFTGRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155107
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)C)C#N	PC-id_19632605	523.713	UKVNBNDZOKKRHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155108
CC(CN1C[C@H](CCCCNC(=O)OC(C)(C)C)N=C(c2c1cn(n2)CC(C)C)SCCC(=O)O)C	SCHEMBL3467875,PC-id_46840991	523.732	GFFDAYXKRXIUMC-FQEVSTJZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155109
S(C1=NC(CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCNC(=O)OC(C)(C)C)CCC(=O)O	PC-id_75217860	523.732	GFFDAYXKRXIUMC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155110
S(=O)(=O)(N1C(C(C(=O)[Si](C(C)(C)C)(C)C)c2c(scc2)CC1)C(=O)OC)c1ccc(OC)cc1	PC-id_76491928	523.737	ADCBGNKKFYUTSN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155111
S(=O)(=O)(N1[C@@H]([C@@H](C(=O)[Si](C(C)(C)C)(C)C)c2c(scc2)CC1)C(=O)OC)c1ccc(OC)cc1	PC-id_57202472	523.737	ADCBGNKKFYUTSN-SFTDATJTSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155112
Cc1cc(c(c(=O)[nH]1)CN1CCCc2c(C1=O)c(c(s2)C(C)C1CCN(CC1)CC1CCCCC1)C)C	PC-id_134587810,SCHEMBL20240344	523.773	ZMHWGOUAZAVJEO-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-155113
CC(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1(C)CCCC1	SCHEMBL19553724	523.773	QBEZEHBMNVOUGI-UHFFFAOYSA-N	00000010100010101100000000000010000000000000000000000000	31-01-155114
C=CC(CN1CCC(CC1)[C@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc(nc1OC)C)C)(C)C	PC-id_145396286	523.773	BJUNSYBLGXFHKF-JOCHJYFZSA-N	00000000100010101100000000000010000000000000000000000000	31-01-155115
C[C@@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1CCCCC1	SCHEMBL18362990	523.773	ZMHWGOUAZAVJEO-JOCHJYFZSA-N	00000000100010101100000000000010000000000000000000000000	31-01-155116
C[C@@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1(C)CCCC1	SCHEMBL19553723	523.773	QBEZEHBMNVOUGI-JOCHJYFZSA-N	00000010100010101100000000000010000000000000000000000000	31-01-155117
Clc1c(OCC(=O)Oc2c(OC)cc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)ccc([N+](=O)[O-])c1	CoCoCo_3733652,PC-id_6117278	523.925	ZSANSQPMNDJPIS-GZTJUZNOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155118
Clc1c(OCC(=O)Oc2c(OC)cc(/C=C(c3n4CCCCCc4nn3)/C#N)cc2)ccc([N+](=O)[O-])c1	CoCoCo_3733653,PC-id_75408724	523.925	ZSANSQPMNDJPIS-BOPFTXTBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155119
Clc1c(OCC(=O)Oc2c(OC)cc(C=C(c3n4CCCCCc4nn3)C#N)cc2)ccc([N+](=O)[O-])c1	EMOLS-id_300982527,PC-id_4465773,MCULE-6966765567	523.925	ZSANSQPMNDJPIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155120
Brc1c(c2-c(c1C(=O)OCC)cc(Br)c(N)c(Br)c2)C(=O)OCC	PC-id_85915777	523.999	UTOVFEUHYYSUMI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155121
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)C#CCI)C#N	PC-id_162008303	524.002	OOPYUFVXAPKTPB-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155122
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)C#CCI)C#N	PC-id_162008304	524.002	OOPYUFVXAPKTPB-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155123
Clc1c(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)cccc1	PC-id_5011146	524.01	JBRMZYRLEOPIAB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155124
Clc1cc(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)ccc1	PC-id_4278122	524.01	MOAAUPYGFHSUMY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155125
Clc1ccc(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)cc1	PC-id_4340061	524.01	PGEOJVPQVJVDTM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155126
Clc1ccc(CNC(=O)C(CCCCn2c3NC=NCC(O)c3nc2)C(=O)OCc2ccccc2)cc1	PC-id_10602134	524.011	XEUQARXFYUSFPY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155127
CC[C@@H](Cc1c([nH]nc1C(=O)NC1CCn2ccnc2N(C1=O)I)C)C(F)(F)F	PC-id_163719246	524.064	KQBQVLVQNQBEFU-NUHJPDEHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155128
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cc(Cl)ccc3OCC(=O)N)sc3c2CCCCCC3)c1	ZINC22_408968862	524.074	CHKFZDOVGULCCW-IBBHUPRXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155129
CC(C)c1ccc2-c(c(cc2S(=O)(=O)O)CCC(C)(C)CN(S(=O)(=O)c2ccccc2)Cl)cc1	PC-id_88490899	524.092	OYVNTMBGYQNSLF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-155130
CC(C)c1ccc2-c(c(cc2S(=O)(=O)O)CCC(C)(C)CNS(=O)(=O)c2ccccc2Cl)cc1	PC-id_88490902	524.092	ADSBINNTEKFAOK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-155131
CCNC(=O)NCC1CC(CN1C(=O)c1cc2c(s1)CCN(CC2)C)NC(=O)c1ccc(s1)Cl	PC-id_68591945,SCHEMBL3312551	524.099	YWJWKFMHYDEGKS-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155132
CCNC(=O)NC[C@@H]1C[C@H](CN1C(=O)c1cc2c(s1)CCN(CC2)C)NC(=O)c1ccc(s1)Cl	PC-id_59285247,SCHEMBL3312555	524.099	YWJWKFMHYDEGKS-CVEARBPZSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155133
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1F	PC-id_20175700	524.114	DFVGITQQHGRNEY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155134
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc(F)c1	PC-id_20168677	524.114	RVIWXYXLDKDBQY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155135
Ic1cc(Cl)c(Nc2sc3c(C(Cl)C(CNC3=O)(C)C)c2C(=O)N)cc1	PC-id_44199041	524.203	FBHCKBAPAOKCNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155136
CC1=NC=C(C=N1)OCC(=O)CC2CCC(OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F	PC-id_161922849	524.227	RIFPSUIJCITZEJ-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-155137
CC1=NC=C(C=N1)OCC(=O)C[C@H]2CC[C@@H](OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F	PC-id_160633516	524.227	RIFPSUIJCITZEJ-UYAOXDASSA-N	00000000100010100101000000000010000000000000000000000000	31-01-155138
CC(COC1=NC2=C(S1)CCN(CC2)CCC3(CCC(CC3)CC(=O)C=CC4=CN(N=C4)C)F)(F)F	PC-id_161922850	524.243	NBSNQTWFTDPQHA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155139
CN1C=C(C(=N1)F)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OC5CC(C5)(F)F	PC-id_161813224	524.243	XUFVZVZPJNRORF-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-155140
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3=CC=C(C=C3)C(=O)N4CCCC4	PC-id_155171378	524.3	QCONRDHERUYXFT-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-155141
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)C(=O)N4CCCCC4	PC-id_155171323	524.3	BMGAZCSVDVNTNU-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155142
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=CC(=C3)C(=O)N4CCCCC4	PC-id_155171371	524.3	YGVVWNLOHWDOBQ-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155143
CCOC(=O)C1CCC(CC1)N1CC(C1)NC(=O)CNc1nn(c2c1C=C(CC#C2)C)C(=O)NC(C)(C)C	PC-id_164161762	524.311	ZNPLMUTXXQGXQT-UHFFFAOYSA-N	00001000100010000111100000000010000000000000000000000000	31-01-155144
Brc1c(n(nc1C)Cc1cc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)ccc1)C	PC-id_19523708	524.377	PHXLHAPOTOCHCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155145
c1(C(F)(F)F)c2CCCCCc2n(CC(=O)Nc2c(C)nn(Cc3ccc(cc3)Br)c2C)n1	EMOLS-id_2011340,TIMTEC292952,CoCoCo_569613,ZINC22_12846676,PC-id_2980728,ChEMBL-DNDi_CHEMBL7979443,MCULE-7197509134	524.377	LQKUQYSJDGAPHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155146
Brc1c2-c(ccc(C(=C)/C=C/CCCCO[Si](C(C)(C)C)(C)C)cc2)c(Br)c1	PC-id_11191676	524.404	GHMFLOVGVRSSLE-PKNBQFBNSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155147
Brc1c2-c(ccc(C(=C)C=CCCCCO[Si](C(C)(C)C)(C)C)cc2)c(Br)c1	PC-id_85429980	524.404	GHMFLOVGVRSSLE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155148
Br[PH-](CCC1n2c(noc2=O)CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_72597161	524.409	SWHAKFJSGJCVFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155149
Br[PH-](CC[C@@H]1n2c(noc2=O)CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_59924281	524.409	SWHAKFJSGJCVFR-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155150
Fc1cc(COC(=O)N2CCc3nc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)ccc1OC(F)(F)F	PC-id_118394718,SCHEMBL17113172,BindingDB-id_913885	524.428	BHWQGPAGEJPENM-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-155151
Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCc2nc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1	SCHEMBL17124831,BindingDB-id_913884,PC-id_118404395	524.428	MVLKJACJSKKRNB-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-155152
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)nc2)ccc1Cl	PC-id_20178974	524.486	SMUGRKUKFTXCKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155153
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)nc2)ccc1Cl	PC-id_20178967	524.486	KCRPOYVILUFHPU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155154
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)nc2)ccc(Cl)c1	PC-id_20179068	524.486	YGWRPBCNQDIFFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155155
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)nc2)c(Cl)ccc1	PC-id_20179436	524.486	ZBKDVUDLJMXSHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155156
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)nc2)ccc(Cl)c1	PC-id_20179061	524.486	VWIYMLQSVSUSJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155157
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)nc2)c(Cl)ccc1	PC-id_20179429	524.486	BMBUWILHHCAOJN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155158
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OC(OCC)(OCC)[PH2]=O)C	SCHEMBL8164446	524.501	AZENKACBYNQUHO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155159
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OCP(=O)(OCC)OCC)C	PC-id_54124867,SCHEMBL8164440	524.501	NQFVDIRUAXZCIS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155160
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_17279854	524.503	RUEZKSHXQYASJG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155161
Clc1cc(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1Cl	PC-id_17279124	524.503	XQCJPHGUGFARQN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155162
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_22194918	524.503	BCOWVLWMEGRIAR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155163
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(Cl)ccc1	PC-id_22195662	524.503	AQPKAJWSQBBQNR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155164
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_22194841	524.503	UZDCJXPPZYKQPE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155165
Clc1c(CN2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(Cl)ccc1	PC-id_22195569	524.503	SKPYZEWOFXJLOS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155166
CCOC(=O)C(CCCCn1cnc2c1NC=NCC2O)(Cc1ccccc1C(F)(F)F)C(=O)OCC	PC-id_10768395,BindingDB_PC-id_10768395,CHEMBL286566	524.533	JCFLAQSWFIJKIG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155167
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OCC	PC-id_19649279	524.543	CXEXGFQBYRQOJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155168
CCOC(=O)c1cc(c2-c1ccc(cc2)Cc1cccc(c1)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C(=O)OCC	SCHEMBL14590093,PC-id_58786177	524.559	UQYXGZVQVHCQRD-SEFGFODJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-155169
COC(=O)[C@]1(C[C@@H](c2cocc2)OCc2ccc(cc2)OC)Cc2c(occ2[C@H](CCC1=O)O)CC(=O)C	PC-id_101083945	524.559	FBPFJEGAARLFNI-MIUCGUHXSA-N	00000000101000110100000000000010000000000000000000000000	31-01-155170
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2ccc3-c(cc2)c(cc3C(=O)OCC)C(=O)OCC)ccc1	PC-id_72423663	524.559	UQYXGZVQVHCQRD-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-155171
O=C(Cc1ccnc(c1)C)N=CC1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145452119	524.599	MWHSBQNGJLBZMI-GFOWMXPYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-155172
c1(N(=O)=O)c(OC)nn(C(C)C(=O)NNC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c1	PC-id_2956435,TIMTEC342383,EMOLS-id_2471520,MCULE-1790847273	524.614	NTPVSCDMSSTDRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155173
CCOC(=O)c1c(NC(=S)NNC(=O)[C@H](n2cc(c(n2)OC)[N+](=O)[O-])C)sc2c1CCCCCC2	CoCoCo_997207,PC-id_2209144	524.614	NTPVSCDMSSTDRN-GFCCVEGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155174
CCOC(=O)c1c(NC(=S)NNC(=O)[C@@H](n2cc(c(n2)OC)[N+](=O)[O-])C)sc2c1CCCCCC2	PC-id_2209145,CoCoCo_997208	524.614	NTPVSCDMSSTDRN-LBPRGKRZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155175
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc(OC)cc2)ccc1)C(=O)OC	PC-id_18909932	524.652	MFDQMCPEXZTXKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155176
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc(OC)ccc2)ccc1)C(=O)OC	PC-id_18909800	524.652	TVCSPRJBDWQXKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155177
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)COc2ccccc2)ccc1)C(=O)OC	PC-id_18910856	524.652	DAWJKBBDJNIQSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155178
CC[C@@H]1NC(=O)CC(/C=C/CCSC(=O)C)OC(=O)c2csc(CNC(=O)[C@@H](NC1=O)C(C)C)n2	PC-id_122216914	524.653	LVCPGVBTVNDFSG-JSTDQJHPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155179
CC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C	PC-id_54754754,SCHEMBL12068518	524.653	ATHLDRDUXMJTTI-ZSALGJERSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155180
s1c2nc(C(=O)NC(C(=O)NC(C(C)C)C(=O)OC(CC(=O)NC2)C=CCCSC(=O)C)(C)C)c1	PC-id_76187590	524.653	ATHLDRDUXMJTTI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155181
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccccc1	ZINC22_408971057	524.673	GWIWNJNQFOUYCY-QNKGDIEWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155182
CN(C)CCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3c3ccccc3)cc2)c2ccsc12	BindingDB_PC-id_10578000,PC-id_10578000,CHEMBL435331	524.676	YUZYROBUIAUGNA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155183
O=C(c1ccc2-c1cc(ccc2)C(C)C)OCCCCCCCOC(=O)c1ccc2-c1cc(ccc2)C(C)C	PC-id_101270417	524.69	KSYQKXZUZWNEKL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155184
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC1CC(C1)(F)F	PC-id_138671148	524.69	VKMASYXHGYBVOO-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-155185
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC1CC1(F)F	PC-id_138671884	524.69	PUVSABCZFWQWBO-UHFFFAOYSA-N	00100000100010000101000000000010000000000000000000000000	31-01-155186
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OC1CC(C1)(F)F	SCHEMBL21041518	524.69	VKMASYXHGYBVOO-IYARVYRRSA-N	00001000100010000101000000000010000000000000000000000000	31-01-155187
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC1CC1(F)F	SCHEMBL21042308	524.69	PUVSABCZFWQWBO-DDAAKYIKSA-N	00100000100010000101000000000010000000000000000000000000	31-01-155188
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCC)CCCC	PC-id_19102893,SCHEMBL9335563	524.693	YWEPSVGHFUMGIC-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-155189
CCCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCC)CCC	SCHEMBL9337003,PC-id_19102912	524.693	GUKLOQKQWBBXDD-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-155190
CC(SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C)C	PC-id_144289343	524.696	HMDMKOJCAJZZHF-UHLKUBKWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155191
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC=C)C(=O)OC	PC-id_20125120	524.698	QGIZGHPFBSPQSQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155192
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC=C)C(=O)OCC	PC-id_20124662	524.698	PSOJUHUUDMMMKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155193
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCc1ccccc1)CC=C)C(=O)OC	PC-id_20124573	524.698	OMMGSLFIBHIJFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155194
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C#CC(=O)O[C@@H](C2)/C=C(/C=C/C(=C/CN(C)C)/C)C)/C)C)c1	PC-id_73055277	524.715	PBKQRVRGXJCYPY-WITPTQISSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155195
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)C(CC)CC)nn1)C)C(=O)OCC	PC-id_24047116	524.72	BEUJKGSGIMMIIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155196
C[C@@H](c1ccccc1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1sc2c(c1)CCCCCCCCCC2	GD-id_ZINC20340570	524.738	BFYCQPSHLYNTFV-QFIPXVFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155197
CC1CC(=CC=CC(=O)NC(Cc2nc(cs2)CCCCC(=O)N1)C=C(C)C=CC(=CCN(C)C)C)C	PC-id_88969713	524.761	VYECQFYHNFTKJR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155198
CN(C/C=C(/C=C/C(=C/C1NC(=O)/C=CC=C(/C)CC(C)NC(=O)CCCCc2nc(C1)sc2)/C)C)C	SCHEMBL12845081	524.761	VYECQFYHNFTKJR-UKDZDYBVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155199
CN(C/C=C(/C=C/C(=C/C1NC(=O)/C=CC=C(/C)C[C@H](C)NC(=O)CCCCc2nc(C1)sc2)/C)C)C	SCHEMBL12779283	524.761	VYECQFYHNFTKJR-BNESPNMISA-N	00000000100000000111000000000010000000000000000000000000	31-01-155200
CN(C/C=C(/C=C/C(=C/[C@H]1NC(=O)/C=CC=C(/C)C[C@H](C)NC(=O)CCCCc2nc(C1)sc2)/C)C)C	SCHEMBL13297152	524.761	VYECQFYHNFTKJR-MMPYLIGOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155201
s1c2nc(CCCCC(=O)N[C@H](C/C(=C/C=CC(=O)NC(C2)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C)C)c1	PC-id_10239458	524.761	VYECQFYHNFTKJR-XRZAUCBJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155202
s1c2nc(CCCCC(=O)N[C@H](CC(=CC=CC(=O)NC(C2)/C=C(C)/C=C/C(=C/CN(C)C)/C)C)C)c1	PC-id_15966869	524.761	VYECQFYHNFTKJR-QLZQZIIYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155203
s1c2nc(CCCCC(=O)N[C@@H](CC(=CC=CC(=O)NC(C2)/C=C(C)/C=C/C(=C/CN(C)C)/C)C)C)c1	PC-id_21456392	524.761	VYECQFYHNFTKJR-LTVVAOFOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155204
s1c2nc(CCCCC(=O)N[C@H](C/C(=C/C=CC(=O)N[C@@H](C2)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C)C)c1	PC-id_58885302	524.761	VYECQFYHNFTKJR-WFXAWJRDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155205
OCCN1CC(=O)N(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)OC(F)(F)F)C	SCHEMBL21332460,PC-id_139466830	524.877	KMVXDLLYSKNVSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155206
CCCN1COCN(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)OC(F)(F)F)C	SCHEMBL18835175	524.92	ILAROYZAVZSZHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155207
OCCCN1CCN(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)OC(F)(F)F)C	SCHEMBL21332748,PC-id_139467088	524.92	RWCIXUOHPGNHNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155208
N#CC1CN(C)CCN1C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700418	524.923	DZGHIPNKBHMGSJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155209
Clc1cc(COC(=O)N2CCCn3c(C2)cc(c3)C(=O)N2CC3CCC(C2)N3C)cc(c1)C(F)(F)F	SCHEMBL16129788,PC-id_117616598	524.963	TZYMMONQRYLEPQ-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-155210
CCCN1C(=O)N(CCCO)[C@@H](C(=O)c2c1nc(n2Cc1ccc(cc1)Cl)Oc1cccc(c1)C=O)C	PC-id_144707498	524.996	MQWCBKLWAAGCNE-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155211
CNCCN(C(=O)/C/1=C(C)/N=CNn2c(C(=O)N/N=C1)ccc2)CCO/C(=CN=C)/c1ccc(cc1)Cl	PC-id_145287238	525.003	SLSBTBBPMPMEJE-SSEJZHPXSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155212
CCNc1nc2c(n1C(C)C)cc(cc2)CNC(=O)OCCCCn1cnc2c1C(=C)C=C(N=C2N)Cl	SCHEMBL19575005	525.046	BMQLJKLJTTUHID-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-155213
CC[C@@H](Cc1c([nH][nH+]c1C(=O)NC1CCn2ccnc2N(C1=O)I)C)C(F)(F)F	PC-id_163719245	525.072	KQBQVLVQNQBEFU-NUHJPDEHSA-O	00000000100000000101000000000010000000000000000000000000	31-01-155214
Clc1ccc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_16861634	525.08	CEPPZSQRQXEQQF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-155215
Clc1c(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)C)cc(S(=O)(=O)N2CCCCC2)cc1	PC-id_16509430	525.08	LZBBEQIFDNCOOE-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-155216
Clc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)cc(S(=O)(=O)N2CCCCCC2)cc1	PC-id_16509389	525.08	VHIMWCOPTBFTLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155217
CCNC(=O)OC[C@@H]1C[C@H](CN1C(=O)c1cc2c(s1)CCN(CC2)C)NC(=O)c1ccc(s1)Cl	PC-id_59285183,SCHEMBL13395162	525.084	LPBWYBVGONQFHO-CVEARBPZSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155218
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CNC(=O)COC)cc1	PC-id_72246273	525.084	DGEKCNQVJXWBSA-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155219
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)COC(=O)NCC)cc1	PC-id_72246276	525.084	LPBWYBVGONQFHO-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155220
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)COC(=O)N(C)C)cc1	SCHEMBL3306353,PC-id_68589605	525.084	SZUQRHZSEASVFZ-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155221
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)C(=O)NCCOC)cc1	PC-id_72246272	525.084	PUTDMHMEGVMOTD-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155222
Clc1sc(C(=O)NC2CC(NC2)C(OC(=O)N(C)C)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	SCHEMBL3306357,PC-id_68589606	525.084	NDMQTWCEBQGFOG-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155223
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CNC(=O)COC)cc1	PC-id_59285172,SCHEMBL13395186	525.084	DGEKCNQVJXWBSA-CVEARBPZSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155224
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)COC(=O)N(C)C)cc1	SCHEMBL3306348,PC-id_59285237	525.084	SZUQRHZSEASVFZ-CVEARBPZSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155225
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)C(=O)NCCOC)cc1	PC-id_59285169,SCHEMBL3342791	525.084	PUTDMHMEGVMOTD-CVEARBPZSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155226
COCC(=O)NCC1C[C@H](CN1C(=O)c1cc2c(s1)CCN(CC2)C)NC(=O)c1ccc(s1)Cl	PC-id_145481278	525.084	DGEKCNQVJXWBSA-AAFJCEBUSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155227
C[C@H]1CCC(CC2=C1C(=C(S2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N)NCCCNC(=O)CCl	PC-id_153401916	525.137	PSGWQUCAHIYWOY-KNVGNIICSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155228
CC[C@@H](CC(=O)N1CC2=NN=CN2CC(C1=O)CC3=C(C=CC(=C3)Cl)OC)C4=CC(=C(C=C4)C(=O)O)N	PC-id_162161900	525.178	ZMPFKBFXUWJPME-BUSXIPJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155229
C[C@@H](CCC1=CC=C(C=C1)OC)[C@H]2CCC3=C(N(C=C3S(=N)(=O)N2)C)C(NC4=CC(=C(C=C4)F)C#N)O	PC-id_154991322	525.221	ZKCOBXUQANQOEL-UJDUQTLFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155230
CC1=NC=C(C=N1)OCC(=O)NC2CCC(OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F	PC-id_149472179	525.222	ZBOKLEQSVNFDRU-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-155231
CC1=NC=C(C=C1)OCC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160625204	525.227	RHFCMDULFAHADC-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-155232
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCCC(C)(F)F	PC-id_160901940	525.23	SPPUNKFSBZJDOF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155233
CC(COC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)CCC4=CC(=NO4)OC)(F)F	PC-id_147777128	525.247	HHBJTJFZZSHULX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155234
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=CN=C(O3)CNC(=O)C2=O	PC-id_160746856	525.248	RWHJMDWEJIRGBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155235
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=NC=C(O3)CNC(=O)C2=O	PC-id_148703735	525.248	NVWDICJWRHOYFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155236
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C	PC-id_155171424	525.295	ZEWKHTXXOOUOGH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155237
CCOC1CN(C1)C2CCC(CC2)N(C)C3=C(C4=C(S3)CCCN(C4=O)CC5=C(C=C(CC5=O)C)C)C	PC-id_161372490	525.303	VQQKJNDJKHHHGG-UHFFFAOYSA-N	00001000100011000100100000000010000000000000000000000000	31-01-155238
Brc1c(F)c(F)c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(F)c1F	PC-id_20170525	525.378	IOBHXEARWVKCAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155239
Brc1c(F)c(F)c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(F)c1F	PC-id_20170518	525.378	FIVYVXJOXTVQIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155240
Brc1oc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc1	PC-id_19724576	525.439	IDEFOGNHAKEDSM-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-155241
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)ccc(Cl)c1	PC-id_17267733	525.471	QIHUUSRTDYVQNA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155242
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)ccc1Cl	PC-id_19729101	525.471	OVSVQHRVJWOBIH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155243
Brc1ccc2-c(cc(/N=N/c3ccc(OCCCCCCOCC4(COC4)CC)cc3)c2)cc1	PC-id_21063109	525.477	LEJKURIUWWVCMA-NVQSTNCTSA-N	00001010100000110110000000000010000000000000000000000000	31-01-155244
NNC1=C(N)CN(CC1)C(=O)c1cc2n(n1)CCN(CC2)C(=O)CCc1ccc(c(c1)F)OC(F)(F)F	PC-id_144930336	525.499	JZQCDCSGQWOFKM-UHFFFAOYSA-N	00000000100011110101000000000010000000000000000000000000	31-01-155245
CC(C)Oc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br	ZINC22_408971024	525.5	CQUZNPPQYHLGBB-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155246
Cn1cc2c(n1)C=C(C(=CC2)C(C(=N)n1nc(ccc1=N)c1ccc(c(c1)F)C(=O)N1CCCC1)(F)F)F	PC-id_144581443	525.501	MXDOPJWHJFRRMA-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-155247
CCOc1cc(ccc1OCC(=O)Nc1cccc(c1)C(F)(F)F)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3456479	525.522	CFHDCVRHVAVBEL-UYRXBGFRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155248
CCOc1cc(ccc1OCC(=O)Nc1cccc(c1)C(F)(F)F)C=C(c1nnc2n1CCCCC2)C#N	MCULE-2748926278,EMOLS-id_26092993,PC-id_4542745	525.522	CFHDCVRHVAVBEL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155249
CCOc1cc(ccc1OCC(=O)Nc1cccc(c1)C(F)(F)F)/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_6145072,CoCoCo_3456478	525.522	CFHDCVRHVAVBEL-CPNJWEJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155250
CCOC(=O)C(C(=O)OCC)(Cc1ccccc1C(F)(F)F)CCCCn1cnc2c1NC=[NH+]C[C@@H]2O	GD-id_ZINC13807833	525.541	JCFLAQSWFIJKIG-IBGZPJMESA-O	00000000100000110111000000000010000000000000000000000000	31-01-155251
CC(C(=O)Nc1cc2NC(=O)C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCOCC3)c2cc1F)O	PC-id_68526045,SCHEMBL3139285	525.572	GREVCTZWMYLFSD-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155252
CC(C(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCOCC3)/c2cc1F)O	SCHEMBL3139283,PC-id_25114696	525.572	GREVCTZWMYLFSD-AQTBWJFISA-N	00000010100010100101000000001010000000000000000000000000	31-01-155253
C[C@@H](C(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCOCC3)/c2cc1F)O	SCHEMBL13415494,PC-id_59250048	525.572	GREVCTZWMYLFSD-CQUHBBLWSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155254
C[C@@H](C(=O)Nc1cc2NC(=O)C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCOCC3)c2cc1F)O	SCHEMBL14136766,PC-id_71080318	525.572	GREVCTZWMYLFSD-INIZCTEOSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155255
COCC(=O)Nc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCOCC3)/c2cc1F	PC-id_25114487,SCHEMBL3133170	525.572	XEVRHHAKDGBZLH-AQTBWJFISA-N	00000010100010100101000000001010000000000000000000000000	31-01-155256
COCC(=O)Nc1cc2NC(=O)C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCOCC3)c2cc1F	SCHEMBL3133171,PC-id_68523692	525.572	XEVRHHAKDGBZLH-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155257
COC1=C(C=c2c(=CC1)n(C)cc2C(=O)C(=O)N(C)C)C(=O)N1CCC(CC1)(F)CC1=CC=C(C=CC1)F	PC-id_142143012	525.587	BQLRMZXHQNYGRZ-UHFFFAOYSA-N	00000000100010000110000000000010000000000000000000000000	31-01-155258
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNCc1cc2c(cc1)OCO2)CCOc1ccccc1	PC-id_134805242	525.598	ZHRCLXBIZCKZAG-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-155259
Cc1c([nH]c2c1C(=O)N(CCC2)CCN1CCCCC1)C=Cc1cc(c(cc1NC=O)NC(=O)COC)F	PC-id_89099151	525.615	KTVXEMZMEKWXMY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-155260
CCCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)c(c2)NC(=O)COC)CC	PC-id_145511798	525.615	HEMXGLOCXGNMKZ-RGEXLXHISA-N	00000010100000100100000000001010000000000000000000000000	31-01-155261
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)c(c2)NC(=O)C(O)(C)C)CC	PC-id_25114264,SCHEMBL3132614	525.615	QIZGYYDTVYFWSP-JXAWBTAJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-155262
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(F)c(c2)NC(=O)C(O)(C)C)CC	PC-id_68523499,SCHEMBL3132625	525.615	QIZGYYDTVYFWSP-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-155263
COCC(=O)Nc1cc(NC=O)c(cc1F)/C=C/c1[nH]c2c(c1C)C(=O)N(CCC2)CCN1CCCCC1	SCHEMBL13480259	525.615	KTVXEMZMEKWXMY-CMDGGOBGSA-N	00000000100010110100000000000010000000000000000000000000	31-01-155264
NC(=O)COc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750473	525.618	GGYSERRMHTXJSL-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-155265
O=C1N(CCc2c(/C/1=C/c1ccccc1)n(COCc1ccccc1)cn2)Cc1ccc(cc1)c1ccccc1	PC-id_145966097	525.64	UNOHDJNHHTWACN-JDCMOKTRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155266
CCC1N(C)CC(=C)N(C)CC(=O)N[C@H](C(=O)NC(=O)N[C@H](c2oc1nn2)Cc1ccccc1)CC(C)C	SCHEMBL18652947	525.643	FRCPHYNYCPIUKK-LGTSYYJHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155267
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)c1cc(ccc1)C(F)(F)F)C(=O)OCC	PC-id_19654991	525.65	VPAIABIXFHJNEY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-155268
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(OC)cc(cc1)/C=C(C(=O)OCC)/C#N	PC-id_30377274	525.66	ULZALCLNHOZVBF-PGMHBOJBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155269
s1c2CCCCCCCCCCc2nc1NC(=O)COc1c(OC)cc(cc1)C=C(C(=O)OCC)C#N	PC-id_85463198	525.66	ULZALCLNHOZVBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155270
COc1cc(C(=O)N2CCCC(N(C)C)c3sccc23)ccc1NC(=O)c1ccccc1c1ccccc1	CHEMBL175212,BindingDB_PC-id_11386922,PC-id_11386922	525.661	MKNXUJQNACYJMY-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-155271
NCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750463	525.661	NVLZUPYWRUXDIT-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-155272
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC=C)C#N	PC-id_19640593	525.661	BDDLQYVPTUNDGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155273
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OCC)c1sccc1	PC-id_44004981	525.661	QYBPHRBZRZDVGQ-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155274
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OC)c1sccc1	PC-id_41100051	525.661	IKLKIKQSYQMJAC-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-155275
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OC)c1sccc1	PC-id_44027443	525.661	RKGVZUOOXANTIS-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-155276
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OC)c1sccc1	PC-id_44028718	525.661	JOOGQOCIJQCYJY-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-155277
O=C(Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)NCc1c2CCNCc2sc1C(F)(F)C	SCHEMBL20922637,PC-id_138565049	525.675	GMCOYGPPZVTBSY-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-155278
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccc(F)cc1	PC-id_19688024	525.68	NHCUOZCIZIGASP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155279
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC)c1ccc(F)cc1	PC-id_19688017	525.68	FAUFFOAVJHCVLI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155280
Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(O[C@H]4C[C@H](F)C4)sc3CC2)CC1	BindingDB-id_989436,SCHEMBL21040728	525.681	WOOSSNMEFYDJFX-IFSQOONMSA-N	00001000100010100101000001000010000000000000000000000000	31-01-155281
FC1CC(C1)Oc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)c1cccc2c1cn(n2)C	PC-id_138670389	525.681	WOOSSNMEFYDJFX-UHFFFAOYSA-N	00001000100010100101000001000010000000000000000000000000	31-01-155282
F[C@@H]1C[C@@H](C1)Oc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1cccc2c1cn(n2)C	SCHEMBL21041136	525.681	WOOSSNMEFYDJFX-PVPVSOICSA-N	00001000100010100101000001000010000000000000000000000000	31-01-155283
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC)Cc2ccccc2)sc2c(CCCCC2)c1C(=O)NC	EMOLS-id_12034948,PC-id_18561013,MCULE-3573252033,ZINC22_9599765,CoCoCo_5058697	525.683	JICIFDLDIBDWBB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155284
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)Cc2ccccc2)cc1)C(=O)N	PC-id_43947102	525.683	ZXTQGVTXYLKQFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155285
C[NH+](CCN1CCCN(c2c1scc2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C	GLL_PC-id_10578000,GD-id_ZINC01486477	525.684	YUZYROBUIAUGNA-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-155286
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)CC=C)C(=O)OC	PC-id_20127917	525.686	GQUDOLTUODZYPO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155287
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)CC=C)C(=O)OC	PC-id_20128247	525.686	OXHWSALUHHWMNC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155288
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(C(C)C)c1C#N)C#N)C(=O)OCC	PC-id_24056612	525.686	UVBUKONWTZMDKT-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-155289
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC)C#N	PC-id_19640210	525.686	RASLETHUWKRCND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155290
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2ccccc2)ccc1)C(=O)OC	PC-id_19317441	525.706	GXAODVLRAXNBAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155291
CC1CC(=CC=CC(=O)NC(Cc2nc(cs2)CCCCC(=O)O1)C=C(C)C=CC(=CCN(C)C)C)C	PC-id_88969714	525.746	RSYXDFOCYABGIE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155292
CC1CC(=CC=CC(=O)OC(Cc2nc(cs2)CCCCC(=O)N1)C=C(C)C=CC(=CCN(C)C)C)C	PC-id_88969716	525.746	MNBHWDDCZKJUAY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155293
CN(C/C=C(/C=C/C(=C/C1NC(=O)/C=CC=C(/C)CC(C)OC(=O)CCCCc2nc(C1)sc2)/C)C)C	SCHEMBL12845082	525.746	RSYXDFOCYABGIE-HGJHTNHYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155294
CN(C/C=C(/C=C/C(=C/C1NC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CCCCc2nc(C1)sc2)/C)C)C	SCHEMBL12779281	525.746	RSYXDFOCYABGIE-IDJFPPGISA-N	00000000100000000111000000000010000000000000000000000000	31-01-155295
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CC(C)NC(=O)CCCCc2nc(C1)sc2)/C)C)C	SCHEMBL12845088	525.746	MNBHWDDCZKJUAY-UKDZDYBVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155296
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)C[C@H](C)NC(=O)CCCCc2nc(C1)sc2)/C)C)C	SCHEMBL12779286	525.746	MNBHWDDCZKJUAY-BNESPNMISA-N	00000000100000000111000000000010000000000000000000000000	31-01-155297
CN(C/C=C(/C=C/C(=C/[C@H]1NC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CCCCc2nc(C1)sc2)/C)C)C	SCHEMBL13297154	525.746	RSYXDFOCYABGIE-HLHMDIRRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155298
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)NC(=O)CCCCc2nc(C1)sc2)/C)C)C	SCHEMBL13297153	525.746	MNBHWDDCZKJUAY-MMPYLIGOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155299
COC1CN(C1)C1CCC(CC1)C(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc(nc1OC)C)C	PC-id_139556704,SCHEMBL21433221	525.746	WIYGKNVWIKEEMG-UHFFFAOYSA-N	00001000100010101100100000000010000000000000000000000000	31-01-155300
COC1CN(C1)C1CCC(CC1)[C@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc(nc1OC)C)C	SCHEMBL18556149	525.746	WIYGKNVWIKEEMG-RDABAPPSSA-N	00001000100010101100100000000010000000000000000000000000	31-01-155301
COC1CN(C1)[C@@H]1CCC(CC1)[C@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc(nc1OC)C)C	SCHEMBL18610984	525.746	WIYGKNVWIKEEMG-WPLVIQRKSA-N	00001000100010101100100000000010000000000000000000000000	31-01-155302
COC1CN(C1)[C@@H]1CC[C@H](CC1)[C@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc(nc1OC)C)C	SCHEMBL18591110	525.746	WIYGKNVWIKEEMG-YMPZKCBVSA-N	00001000100010101100100000000010000000000000000000000000	31-01-155303
s1c2nc(CCCCC(=O)N[C@H](C/C(=C/C=CC(=O)OC(C2)/C=C(/C=C/C(=C/CN(C)C)/C)C)/C)C)c1	PC-id_10218092	525.746	MNBHWDDCZKJUAY-XRZAUCBJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155304
s1c2nc(CCCCC(=O)N[C@H](CC(=CC=CC(=O)OC(C2)/C=C(/C=C/C(=C/CN(C)C)/C)C)C)C)c1	PC-id_15966830	525.746	MNBHWDDCZKJUAY-QLZQZIIYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155305
s1c2nc(CCCCC(=O)N[C@@H](CC(=CC=CC(=O)OC(C2)/C=C(/C=C/C(=C/CN(C)C)/C)C)C)C)c1	PC-id_21456377	525.746	MNBHWDDCZKJUAY-LTVVAOFOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155306
s1c2nc(CCCCC(=O)N[C@H](C/C(=C/C=CC(=O)O[C@@H](C2)/C=C(/C=C/C(=C/CN(C)C)/C)C)/C)C)c1	PC-id_58885291	525.746	MNBHWDDCZKJUAY-WFXAWJRDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155307
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C=CC(=O)NC(C2)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C)C)c1	PC-id_10152664	525.746	RSYXDFOCYABGIE-KBMKDNROSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155308
s1c2nc(CCCCC(=O)O[C@H](CC(=CC=CC(=O)NC(C2)/C=C(C)/C=C/C(=C/CN(C)C)/C)C)C)c1	PC-id_15966669	525.746	RSYXDFOCYABGIE-OEYJHIFASA-N	00000000100000000111000000000010000000000000000000000000	31-01-155309
s1c2nc(CCCCC(=O)O[C@@H](CC(=CC=CC(=O)NC(C2)/C=C(C)/C=C/C(=C/CN(C)C)/C)C)C)c1	PC-id_21456303	525.746	RSYXDFOCYABGIE-FJZRVNFISA-N	00000000100000000111000000000010000000000000000000000000	31-01-155310
CCCCCC(=O)OCCCOCC1(COCCCOC(=O)CCCCC)COc2c(OC1)csc2	SCHEMBL2718227,PC-id_67511147	528.698	BEHRALNVCQNIPK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155691
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C=CC(=O)N[C@@H](C2)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C)C)c1	PC-id_58885297	525.746	RSYXDFOCYABGIE-TXGBULRSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155311
COC(=O)[C@H]1[C@H](CO[Si](C(C)(C)C)(C)C)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966446	525.753	BTSZBDCDSIFLLV-IFMALSPDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155312
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CC3CCC(C2)N3C)cc(c1)C(F)(F)F	PC-id_140700373	525.951	VWYPBVDEQVDSHR-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-155313
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCN3[C@@H](C2)CCC3)cc(c1)C(F)(F)F	PC-id_140700461	525.951	OYAGEWBYHUAUNL-LJQANCHMSA-N	00000010100010110101000000000110000000000000000000000000	31-01-155314
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCN3[C@H](C2)CCC3)cc(c1)C(F)(F)F	PC-id_140700528	525.951	OYAGEWBYHUAUNL-IBGZPJMESA-N	00000010100010110101000000000110000000000000000000000000	31-01-155315
CN1CC2C(C1)CN(C2)C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700422	525.951	XKTJPLCHPJLORY-UHFFFAOYSA-N	00000010100000110101000000000110000000000000000000000000	31-01-155316
CCC(c1cc(c(cc1)C(=O)O)N)NC(=O)N1Cc2nccn2CC(C1=O)Cc1c(ccc(c1)Cl)OC	PC-id_86672199,SCHEMBL13194897	525.984	RVZDTWNDTVRYAW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155317
CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N1Cc2nccn2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC	SCHEMBL16131533	525.984	RVZDTWNDTVRYAW-LAUBAEHRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155318
CCN1N[C@@H](CNc2c(C1=O)n(Cc1ccc(c(c1)Cl)O)c(n2)C#Cc1ccccc1)Cc1ccccc1	SCHEMBL16312817,PC-id_117754702	526.029	FOWRACAQPAVIMS-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-155319
ClCCCCn1ccc2c1CCCCN2C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	PC-id_139709950	526.068	CLCDDEUXTLPTMS-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-155320
Clc1ccc(S(=O)(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_22197081	526.069	KUEOSBLWIVJMCT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155321
Clc1ccc(c2nc(SCCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)c(cc2)C#N)cc1	PC-id_24165391	526.07	FJGSJILVWIXBEN-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-155322
CCNC(=O)NC[C@@H]1C[C@H](CN1C(=O)c1cc2c(s1)CCN(CC2)C)NC(=O)C1CC=C(S1)Cl	SCHEMBL14044950,PC-id_71055925	526.115	CRCWBGFPHQFSND-LNKXUWQBSA-N	00000011100000000100000000000010000000000000000000000000	31-01-155323
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2c(c1)CCN(CC2)C)CNC(=O)NCC	PC-id_77997456	526.115	CRCWBGFPHQFSND-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-155324
C1CNCCNCCNCCN2C=CC=C2C(=O)NC(=O)C(=O)NC(=O)C(=O)SC(=O)CCSC1	PC-id_154327071	526.167	RJTSBPVXSNZSOU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155325
CC(C)[C@@H]1CC(CCC2=C1N=CN2)C(=O)OCC3=CC=C(C=C3)OCCCI(C)C	PC-id_147276638	526.169	CRMMZNRHYQQQAR-QWAKEFERSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155326
CC1=CN=C(C=N1)OCC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)F)F	PC-id_161891508	526.223	YEENJVDCQOURBU-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-155327
CC1=NC=C(C=N1)OCC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_149457106	526.223	YYTYMSKTJYMHEY-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-155328
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=NN=C(O3)CNC(=O)C2=O	PC-id_147847754	526.243	HUFKPMZIKXWBAP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155329
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCCOC(=O)C3=CC=C(C=C3)C(=O)N4CCOCC4	PC-id_155171340	526.279	VDPXZOLNELXNIC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155330
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=CC(=C3)C(=O)N4CCOCC4	PC-id_155171356	526.279	SUXBRXLPNOXLCY-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155331
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)C(=O)N4CCOCC4	PC-id_155171435	526.279	AYWZKHJBWYQNMP-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155332
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)CC(Cc1ncsc1)C(=O)NC	PC-id_76657312	526.447	GFHGZZVJAAHQIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155333
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)C[C@@H](Cc1ncsc1)C(=O)NC	PC-id_58135735	526.447	GFHGZZVJAAHQIQ-CYBMUJFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155334
Brc1ccc(NC(=O)c2c(NC(=O)CNCCc3ccccc3)sc3CCCCCc23)cc1	TIMTEC555482,EMOLS-id_2784838,MCULE-8098524381,ZINC22_15946567,CoCoCo_6728339,PC-id_3309287	526.488	XRMGCZWXAOOJQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155335
O=CCn1ccc2c1C=CC=CC2C(NO/C(=C(CC)/C)/c1ccc(c(c1)C(F)(F)F)CC(F)(F)F)C	PC-id_143554757	526.514	LYEAVHFCGKZJGA-UQQQWYQISA-N	00000000100000110110000000000010000000000000000000000000	31-01-155336
c1(c2CCCCCCCCCCc2sc1NC(=O)COc1c(Cl)ccc(Cl)c1)C(=O)OC(C)C	ZINC22_8720919,CoCoCo_6816436,SPECS-id_AK-968/41927442,PC-id_5159530,TIMTEC417745,EMOLS-id_4183831,MCULE-6403485289	526.516	QZQJGHFFLODHLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155337
N#CC(=C(C(=C(C#N)C#N)c1c(=O)oc2-c1cc(ccc2)C(C)C)c1c(=O)oc2-c1cc(ccc2)C(C)C)C#N	PC-id_101789613	526.541	GUSCVAFTNHBREI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155338
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_20175234	526.542	MLMRGLGLZIYQGP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155339
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1Cl	PC-id_20175230	526.542	ZOWONEYJPSUHPF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155340
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_20175292	526.542	QCYGTNPXIKMZEB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155341
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(Cl)ccc1	PC-id_20175769	526.542	IOZLKKSMYJSGSW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155342
Clc1cc(N2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_19654689	526.542	CJYXHSKPGFBPDK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-155343
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc(Cl)c1	PC-id_20175287	526.542	OIHFYFWOMLQWMM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155344
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(Cl)ccc1	PC-id_20175764	526.542	VIBWBMYYIJELSK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155345
C[C@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1ccc(cc1)C(F)(F)F)nn2)C	PC-id_134828942	526.552	IPBJIQYWFQBDPV-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155346
C[C@@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1ccccc1C(F)(F)F)nn2)C	PC-id_134828946	526.552	XFCYMKZNIOUTGZ-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155347
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1ccc(cc1)C(F)(F)F)nn2)C	PC-id_134828952	526.552	IPBJIQYWFQBDPV-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155348
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1ccc(cc1)C(F)(F)F)nn2)C	PC-id_134828965	526.552	IPBJIQYWFQBDPV-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155349
C[C@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1cccc(c1)C(F)(F)F)nn2)C	PC-id_134828975	526.552	IKVIAMKSHPIJTE-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155350
C[C@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1ccccc1C(F)(F)F)nn2)C	PC-id_134828978	526.552	XFCYMKZNIOUTGZ-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155351
C[C@@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1cccc(c1)C(F)(F)F)nn2)C	PC-id_134828983	526.552	IKVIAMKSHPIJTE-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155352
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1ccccc1C(F)(F)F)nn2)C	PC-id_134829007	526.552	XFCYMKZNIOUTGZ-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155353
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1cccc(c1)C(F)(F)F)nn2)C	PC-id_134829009	526.552	IKVIAMKSHPIJTE-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155354
FC(F)(F)c1ccc(NC(=O)N(CC2OCc3n(nnc3)CCCC(=O)N(CC2C)C(CO)C)C)cc1	PC-id_75036344	526.552	MHRPTBSVTMBPJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155355
FC(F)(F)c1ccc(NC(=O)N(CC2OCc3nnn(CCCC(=O)N(CC2C)C(CO)C)c3)C)cc1	PC-id_75036388	526.552	DVUZCPZOEGBIKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155356
FC(F)(F)c1ccc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cc1	CHEBI:113435,PC-id_44505820	526.552	MHRPTBSVTMBPJG-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155357
FC(F)(F)c1ccc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cc1	CHEMBL1869981,CHEBI:126320,PC-id_44505829	526.552	MHRPTBSVTMBPJG-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155358
FC(F)(F)c1ccc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cc1	PC-id_44498141	526.552	MHRPTBSVTMBPJG-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155359
FC(F)(F)c1ccc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cc1	PC-id_44505442	526.552	MHRPTBSVTMBPJG-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155360
FC(F)(F)c1ccc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cc1	PC-id_44505812	526.552	MHRPTBSVTMBPJG-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155361
FC(F)(F)c1ccc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cc1	PC-id_44505823	526.552	MHRPTBSVTMBPJG-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155362
FC(F)(F)c1ccc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cc1	PC-id_44505826	526.552	MHRPTBSVTMBPJG-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155363
FC(F)(F)c1ccc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cc1	PC-id_44506018	526.552	MHRPTBSVTMBPJG-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155364
FC(F)(F)c1ccc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cc1	CHEBI:113457,PC-id_44505824	526.552	DVUZCPZOEGBIKA-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155365
FC(F)(F)c1ccc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cc1	CHEBI:95681,PC-id_44505818	526.552	DVUZCPZOEGBIKA-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155366
FC(F)(F)c1ccc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)cc1	CHEBI:96038,PC-id_44505813	526.552	DVUZCPZOEGBIKA-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155367
FC(F)(F)c1ccc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cc1	CHEBI:96913,PC-id_44505810	526.552	DVUZCPZOEGBIKA-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155368
FC(F)(F)c1ccc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cc1	CHEBI:96937,PC-id_44505828	526.552	DVUZCPZOEGBIKA-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155369
FC(F)(F)c1ccc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cc1	PC-id_44505605,CHEBI:96863	526.552	DVUZCPZOEGBIKA-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155370
FC(F)(F)c1ccc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)cc1	PC-id_44505606,CHEBI:96781	526.552	DVUZCPZOEGBIKA-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155371
FC(F)(F)c1ccc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cc1	PC-id_44506015,CHEBI:96385	526.552	DVUZCPZOEGBIKA-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155372
FC(F)(F)c1cc(NC(=O)N(CC2OCc3n(nnc3)CCCC(=O)N(CC2C)C(CO)C)C)ccc1	PC-id_75036453	526.552	IQZUEXURVFCKFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155373
FC(F)(F)c1cc(NC(=O)N(CC2OCc3nnn(CCCC(=O)N(CC2C)C(CO)C)c3)C)ccc1	PC-id_75036390	526.552	QOPMKJNNAFOQDN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155374
FC(F)(F)c1cc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)ccc1	CHEBI:112546,PC-id_44506027	526.552	IQZUEXURVFCKFC-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155375
FC(F)(F)c1cc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)ccc1	CHEBI:112615,PC-id_44506030	526.552	IQZUEXURVFCKFC-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155376
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(c4ccc([N+](=O)[O-])cc4)o3)sc3c2CCCCCC3)cc1C	ZINC22_409018283	527.634	UJILUWXOSBVYEM-FDAWAROLSA-N	00000000101000110100100000000010000000000000000000000000	31-01-155548
FC(F)(F)c1cc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)ccc1	PC-id_44505837,CHEBI:112493	526.552	IQZUEXURVFCKFC-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155377
FC(F)(F)c1cc(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)ccc1	PC-id_44505838,CHEBI:112605	526.552	IQZUEXURVFCKFC-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155378
FC(F)(F)c1cc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)ccc1	PC-id_44505845,CHEBI:112465	526.552	IQZUEXURVFCKFC-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155379
FC(F)(F)c1cc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)ccc1	PC-id_44505847,CHEBI:112604	526.552	IQZUEXURVFCKFC-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155380
FC(F)(F)c1cc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)ccc1	PC-id_44506026,CHEBI:112511	526.552	IQZUEXURVFCKFC-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155381
FC(F)(F)c1cc(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)ccc1	PC-id_44506033,CHEBI:112458	526.552	IQZUEXURVFCKFC-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155382
FC(F)(F)c1cc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)ccc1	CHEBI:95745,PC-id_44505621	526.552	QOPMKJNNAFOQDN-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155383
FC(F)(F)c1cc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)ccc1	CHEBI:96301,PC-id_44505835	526.552	QOPMKJNNAFOQDN-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155384
FC(F)(F)c1cc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)ccc1	CHEBI:96770,PC-id_44505833	526.552	QOPMKJNNAFOQDN-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155385
FC(F)(F)c1cc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)ccc1	CHEBI:96792,PC-id_44505844	526.552	QOPMKJNNAFOQDN-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155386
FC(F)(F)c1cc(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)ccc1	PC-id_44497255,CHEBI:96411	526.552	QOPMKJNNAFOQDN-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155387
FC(F)(F)c1cc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)ccc1	PC-id_44505832	526.552	QOPMKJNNAFOQDN-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155388
FC(F)(F)c1cc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)ccc1	PC-id_44505836,CHEBI:96981	526.552	QOPMKJNNAFOQDN-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155389
FC(F)(F)c1cc(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)ccc1	PC-id_44505841,CHEBI:95818	526.552	QOPMKJNNAFOQDN-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155390
FC(F)(F)c1c(NC(=O)N(CC2OCc3n(nnc3)CCCC(=O)N(CC2C)C(CO)C)C)cccc1	PC-id_75036165	526.552	MTUQQJRKJJVDPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155391
FC(F)(F)c1c(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cccc1	CHEBI:95728,PC-id_44505585	526.552	MTUQQJRKJJVDPI-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155392
FC(F)(F)c1c(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cccc1	PC-id_44494484	526.552	MTUQQJRKJJVDPI-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155393
FC(F)(F)c1c(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cccc1	PC-id_44496397	526.552	MTUQQJRKJJVDPI-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155394
FC(F)(F)c1c(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cccc1	PC-id_44496398	526.552	MTUQQJRKJJVDPI-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155395
FC(F)(F)c1c(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@H](CO)C)C)cccc1	PC-id_44498546,CHEBI:96086	526.552	MTUQQJRKJJVDPI-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155396
FC(F)(F)c1c(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)C)cccc1	PC-id_44505003	526.552	MTUQQJRKJJVDPI-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155397
FC(F)(F)c1c(NC(=O)N(C[C@H]2OCc3n(nnc3)CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)C)cccc1	PC-id_44505410	526.552	MTUQQJRKJJVDPI-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155398
FC(F)(F)c1c(NC(=O)N(C[C@@H]2OCc3n(nnc3)CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)C)cccc1	PC-id_44505785	526.552	MTUQQJRKJJVDPI-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155399
FC(F)(F)c1c(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cccc1	CHEBI:112580,PC-id_44489266	526.552	DTQFALQSFDATTM-XGHQBKJUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155400
FC(F)(F)c1c(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)cccc1	CHEBI:95880,PC-id_44483910	526.552	DTQFALQSFDATTM-FVJLSDCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155401
FC(F)(F)c1c(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cccc1	CHEBI:95948,PC-id_44492055	526.552	DTQFALQSFDATTM-CBGDNZLLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155402
FC(F)(F)c1c(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cccc1	CHEBI:96065,PC-id_44488156	526.552	DTQFALQSFDATTM-LLGFUMIMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155403
FC(F)(F)c1c(NC(=O)N(C[C@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@@H](CO)C)c3)C)cccc1	PC-id_44483909,CHEBI:112471	526.552	DTQFALQSFDATTM-CSODHUTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155404
FC(F)(F)c1c(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@@H]2C)[C@H](CO)C)c3)C)cccc1	PC-id_44488155,CHEBI:95878	526.552	DTQFALQSFDATTM-FIKGOQFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155405
FC(F)(F)c1c(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@@H](CO)C)c3)C)cccc1	PC-id_44490867,CHEBI:112456	526.552	DTQFALQSFDATTM-LZJOCLMNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155406
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2sccc2)ccc1)CC)C(=O)OC	PC-id_18911153	528.707	DGGYXYLYXXSHMA-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-155692
FC(F)(F)c1c(NC(=O)N(C[C@@H]2OCc3nnn(CCCC(=O)N(C[C@H]2C)[C@H](CO)C)c3)C)cccc1	PC-id_44491453,CHEBI:112559	526.552	DTQFALQSFDATTM-WWMYMODYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155407
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)c(F)cc(F)c2F)cc1)C(=O)OCC	PC-id_20171250	526.57	UQBOHUCSIPACRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155408
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)c(F)cc(F)c2F)cc1)C(=O)OC	PC-id_20171243	526.57	BQTOOSGDLQCLEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155409
CCOc1c(OCC)cc(cc1[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1cc2-c(c1C(=O)OC)ccccc2	PC-id_58786133,SCHEMBL14590135	526.575	RVFHWFOANAOWGA-YKUHLWEKSA-N	00000010100010110110100000000010000000000000000000000000	31-01-155410
O1C(C(O)C(O)C(O)C1CO)c1c(OCC)c(OCC)cc(c1)Cc1c(c2-c(c1)ccccc2)C(=O)OC	PC-id_72423626	526.575	RVFHWFOANAOWGA-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-155411
O(C(=O)c1c(NC(=O)C)c(Cc2c3-c(c(c2NC(=O)C)C(=O)OCC)ccccc3)c2-c1ccccc2)CC	PC-id_15535232	526.58	NIXGUWMVDUKZHO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155412
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1cccs1	PC-id_141350345	526.6	MEUHHRGKLZNPQG-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-155413
OC(=O)COc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750522	526.603	JQRLKMSSBQRDOH-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-155414
CCn1c(=O)cccc1C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671113	526.615	BUNPMSZNHJPUAG-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-155415
CCn1c(=O)cccc1C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041481	526.615	BUNPMSZNHJPUAG-IYARVYRRSA-N	00000000100010101101000000000010000000000000000000000000	31-01-155416
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1ccc(nc1)C	PC-id_138671251	526.615	OONMVPARPWGXSP-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-155417
O=C(N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1ccc(nc1)C	SCHEMBL21041627	526.615	OONMVPARPWGXSP-WGSAOQKQSA-N	00000000100010101101000000000010000000000000000000000000	31-01-155418
CCOC(=O)c1cc(c2-c1ccc(cc2)CCc1cc(c2-c1cccc(c2)C(C)C)C(=O)OC)C(=O)OCC	PC-id_102236957	526.619	BHTZXKWJGZJVOI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155419
CCOC(=O)c1c(CCc2cc(c3-c2cccc(c3)C(C)C)C(=O)OC)c(c2-c1ccccc2)C(=O)OCC	PC-id_102236955	526.619	KZISMXXJMOGMMC-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155420
CC(OC(=O)C1=CN(CC(c2c1n(C)c(=O)n2C)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659366	526.625	GBDAJPBHVXYHSK-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-155421
COCCN(CCC(=O)NCCN1CCOCC1)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	PC-id_46049924,MCULE-5384413690,EMOLS-id_25388560	526.628	CVRNHWRLXDGQIL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155422
O=C(N1CCCCc2c1ccn2Cc1cccnc1)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	PC-id_139709999	526.628	GSFQBRSHCLHEKQ-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-155423
COc1noc(c1)CCC(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	PC-id_138670672	526.64	WTKOTLXISUAUSX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155424
COc1noc(c1)CCC(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	SCHEMBL21041016	526.64	WTKOTLXISUAUSX-IYARVYRRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155425
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(F)cc2)ccc1)C)C(=O)OC	PC-id_18910163	526.643	JBEMNXGMGDVKBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155426
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc(F)cc2)ccc1)C(=O)OCC	PC-id_18910197	526.643	FIEXQQCZDIYZGJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155427
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(F)cccc2)ccc1)C)C(=O)OC	PC-id_18910031	526.643	NKHWTFXTLUPMCP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155428
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(F)cccc2)ccc1)C(=O)OCC	PC-id_18910065	526.643	HOONUINMGZVUJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155429
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc(F)cc2)ccc1)C(=O)OC	PC-id_18910198	526.643	GOBPTUBKRPUWTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155430
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(F)cccc2)ccc1)C(=O)OC	PC-id_18910066	526.643	RVTWCQBQXUISQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155431
c1(c2CCCCCc2sc1NCc1ccc(c(OC)c1OC)OC)C(=O)Nc1c(OC)ccc(OC)c1	PC-id_3359428,CoCoCo_2720522,MCULE-8219019318,ZINC22_2909627,TIMTEC514535,EMOLS-id_2779872	526.644	VXSMZUOKARAOQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155432
c1(c2CCCCCc2sc1NCc1cc(OC)c(cc1OC)OC)C(=O)Nc1ccc(cc1OC)OC	PC-id_4612024,EMOLS-id_16406268,CoCoCo_2720526,MCULE-9548890291	526.644	WCNBIAIHBHCPEX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155433
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(c4ccc(C(=O)O)cc4)o3)sc3c2CCCCCC3)c1	ZINC22_409019339	526.646	WJHTTZBQGSPBDT-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-155434
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(c4ccc(C(=O)O)cc4)o3)sc3c2CCCCCC3)c1	ZINC22_409019761	526.646	XAMUWUWDOAAIIU-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-155435
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(c4ccc(C(=O)O)cc4)o3)sc3c2CCCCCC3)c1C	ZINC22_409020169	526.646	ZQEAUMXVNVKARB-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-155436
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(c4ccc(C(=O)O)cc4)o3)sc3c2CCCCCC3)cc1C	ZINC22_409010192	526.646	AXCKRMWVUUKTIA-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-155437
CCOC(=O)c1ccc(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3ccccc3)CCCCCC4)o2)cc1	ZINC22_408972674	526.646	QNGMWJFFLGMPJB-UZWMFBFFSA-N	00000000101000110100100000000010000000000000000000000000	31-01-155438
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C)cc1)C(=O)OCC	PC-id_24072140	526.667	MVVMUXYYSYTBQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155439
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2occc2)ccc1)CC)C(=O)OCC	PC-id_18910362	526.667	XIKRWBKKCPVDCD-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-155440
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2occc2)ccc1)CC)C(=O)OC	PC-id_18910363	526.667	YULYPUXRESLKER-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-155441
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2occc2)ccc1)C)C(=O)OCC	PC-id_18910298	526.667	ZXHVCCWEACNXFG-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-155442
COc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCC[C@@H](c2c1ccs2)[NH+](C)C	GD-id_ZINC13532201	526.669	MKNXUJQNACYJMY-SANMLTNESA-O	00000000100000110100100000000010000000000000000000000000	31-01-155443
c1(c2CCCCCc2sc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)C)C(=O)NN(C)C	MCULE-9542598837,PC-id_18561015,CoCoCo_5058705,EMOLS-id_5523585,GD-id_ZINC09489598	526.671	NILVTLMWFYMQTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155444
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC=C)C(=O)OCC	PC-id_19730877	526.671	MSXQJFGPVWIKOF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155445
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC=C)C(=O)OC	PC-id_19732386	526.671	BEIXMBGEEOAMGP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155446
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)CC=C)C(=O)OCC	PC-id_19730717	526.671	QBJWVGFBKXATPP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155447
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)CC=C)C(=O)OCC	PC-id_19730496	526.671	AOXPOBQFRVKQQA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155448
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC=C)C(=O)OC	PC-id_19732033	526.671	CCSQXUROTZKILM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155449
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC=C)C(=O)OC	PC-id_20123930	526.671	LLEDJTIZXPCPQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155450
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC=C)C(=O)OC	PC-id_17270268	526.671	MNVQIXHUPGMZOV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155451
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)CC=C)C(=O)OC	PC-id_17304555	526.671	SKCPMYCDWOJCOM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155452
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC=C)C(=O)OC	PC-id_21165055	526.671	QBDAEBZYJXRAMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155453
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)CC=C)C(=O)OC	PC-id_21165271	526.671	UZTIWJSHUBZXFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155454
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)CC=C)C(=O)OCC	PC-id_19733358	526.671	VUKMFZWMGWEDPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155455
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC)cc1)CC=C)C(=O)OC	PC-id_17267518	526.671	KRTHHXQFNIASTC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155456
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)ccc1)CC=C)C(=O)OC	PC-id_19730672	526.671	NRQQMMJCELAQMI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155457
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OC)cccc1)CC=C)C(=O)OC	PC-id_19730461	526.671	ZFAVUVKYWFHVQO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155458
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccccc1)CC=C)C(=O)OC	PC-id_19733315	526.671	JPCKLIOBGYMVPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155459
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCCC(F)(F)C	PC-id_138670381	526.706	WMXPEMCZRIURKK-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155460
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)cc(cc1)C	PC-id_17255187	528.089	KMTVBWNHWXJGKR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155583
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCCC(F)(F)C	SCHEMBL21040720	526.706	WMXPEMCZRIURKK-WGSAOQKQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155461
O=C1CCN(C(=O)c2c1ccn2CCCCCCCCN1CCN(CC1)c1ccccc1)Cc1ccccc1	SCHEMBL6991218,PC-id_20085229	526.712	DFQFPNOOQKOSPC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-155462
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC)C(=O)OCC	PC-id_20125088	526.714	KRFODMKIPMREEU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155463
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC)C(=O)OC	PC-id_17303074	526.714	UQZLPTUSGSJMNW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155464
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)C)C(=O)OCC	PC-id_20124721	526.714	GMULBTKKMBQUEK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155465
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC)C(=O)OC	PC-id_20125018	526.714	WXFGBVRWZARZTC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155466
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_20124687	526.714	IEKQOKDTCHLTDR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155467
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(OC)ccc1)C)C(=O)OCC	PC-id_20172615	526.714	AIJSVELQRCNVNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155468
CCn1c2c(CN(C2)S(=O)(=O)C)c(n1)C(C)CC1Cc2c(CN(C1)S(=O)(=O)C)c(nn2C)C(C)C	SCHEMBL20033632,PC-id_134402292	526.716	AXVFIGLIKJXUEX-UHFFFAOYSA-N	00000010100000000101000010000010000000000000000000000000	31-01-155469
CC1CC(=CC=CC(=O)OC(Cc2nc(cs2)CCCCC(=O)O1)C=C(C)C=CC(=CCN(C)C)C)C	PC-id_88969673	526.73	VSVORQIMRUVRPE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155470
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CC(C)OC(=O)CCCCc2nc(C1)sc2)/C)C)C	SCHEMBL12844940	526.73	VSVORQIMRUVRPE-UKDZDYBVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155471
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CCCCc2nc(C1)sc2)/C)C)C	SCHEMBL16093261	526.73	VSVORQIMRUVRPE-BNESPNMISA-N	00000000100000000111000000000010000000000000000000000000	31-01-155472
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CCCCc2nc(C1)sc2)/C)C)C	BindingDB_PC-id_9828287,SCHEMBL12779227	526.73	VSVORQIMRUVRPE-MMPYLIGOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155473
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C=CC(=O)OC(C2)/C=C(/C=C/C(=C/CN(C)C)/C)C)/C)C)c1	PC-id_10289462	526.73	VSVORQIMRUVRPE-XRZAUCBJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155474
s1c2nc(CCCCC(=O)O[C@H](CC(=CC=CC(=O)OC(C2)/C=C(/C=C/C(=C/CN(C)C)/C)C)C)C)c1	PC-id_15967065	526.73	VSVORQIMRUVRPE-QLZQZIIYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155475
s1c2nc(CCCCC(=O)O[C@@H](CC(=CC=CC(=O)OC(C2)/C=C(/C=C/C(=C/CN(C)C)/C)C)C)C)c1	PC-id_21456431	526.73	VSVORQIMRUVRPE-LTVVAOFOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155476
s1c2nc(CCCCC(=O)O[C@H](CC(=CC=CC(=O)O[C@@H](C2)/C=C(/C=C/C(=C/CN(C)C)/C)C)C)C)c1	PC-id_16058429	526.73	VSVORQIMRUVRPE-YNTKFYTCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155477
s1c2nc(CCCCC(=O)O[C@@H](CC(=CC=CC(=O)O[C@@H](C2)/C=C(/C=C/C(=C/CN(C)C)/C)C)C)C)c1	PC-id_17999986	526.73	VSVORQIMRUVRPE-NGWANSEUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155478
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C=C/C(=O)O[C@@H](C2)/C=C(/C=C/C(=C/CN(C)C)/C)C)/C)C)c1	PC-id_73054988	526.73	VSVORQIMRUVRPE-SRPNJBBOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155479
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C=CC(=O)O[C@@H](C2)/C=C(/C=C/C(=C/CN(C)C)/C)C)/C)C)c1	PC-id_9828287	526.73	VSVORQIMRUVRPE-WFXAWJRDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155480
CCOC1CN(C1)C1CCC(CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL18556110	526.734	XHTSRXOJSVYSPZ-UHFFFAOYSA-N	00001000100010101100100000000010000000000000000000000000	31-01-155481
CCOC1CN(C1)[C@@H]1CC[C@H](CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL18556108	526.734	XHTSRXOJSVYSPZ-HZCBDIJESA-N	00001000100010101100100000000010000000000000000000000000	31-01-155482
COC1CN(C1)C1CCC(CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)CC	SCHEMBL18578024	526.734	WVJRHMCCQDRLOV-UHFFFAOYSA-N	00001000100010101100100000000010000000000000000000000000	31-01-155483
COC1CNC1C1CCC(CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)CC	SCHEMBL19171507	526.734	AKZAWDPLAYSNKZ-UHFFFAOYSA-N	00001000100010101100100000000010000000000000000000000000	31-01-155484
COC1CN(C1)[C@@H]1CC[C@H](CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)CC	SCHEMBL18578022	526.734	WVJRHMCCQDRLOV-HZCBDIJESA-N	00001000100010101100100000000010000000000000000000000000	31-01-155485
COC1CNC1[C@@H]1CC[C@H](CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)CC	SCHEMBL19171504	526.734	AKZAWDPLAYSNKZ-SPUKCTCMSA-N	00001000100010101100100000000010000000000000000000000000	31-01-155486
CO[C@H]1CN[C@@H]1C1CCC(CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)CC	SCHEMBL19171506	526.734	AKZAWDPLAYSNKZ-LVYIIQMKSA-N	00001000100010101100100000000010000000000000000000000000	31-01-155487
c1(NC(=O)CCSCCC(=O)Nc2sc3c(CCCCC3)c2C#N)sc2c(CCCCC2)c1C#N	PC-id_3303067,TIMTEC587063,GD-id_ZINC20160675,EMOLS-id_4184015,CoCoCo_6825772,MCULE-5114136078,ZINC22_20160675	526.737	ZAPGPZVIAQYURH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-155488
ONC(=O)[C@H]1[C@H](CO[Si](C(C)(C)C)(C)C)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966431	526.741	DSOLUMLZTLVFEZ-TZIWHRDSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155489
S(=O)(=O)(N1C(C(CO[Si](C(C)(C)C)(C)C)c2c(scc2)CC1)C(=O)NO)c1ccc(OC)cc1	PC-id_76456977	526.741	DSOLUMLZTLVFEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155490
S(=O)(=O)(N1[C@@H]([C@@H](CO[Si](C(C)(C)C)(C)C)c2c(scc2)CC1)C(=O)NO)c1ccc(OC)cc1	PC-id_56993541	526.741	DSOLUMLZTLVFEZ-FPOVZHCZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155491
s1c2CCCCCCc2c(c1NC(=O)CSCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C#N	PC-id_5075898	526.797	FWXRUXJNMZLGIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155492
CCCCCCCCCCCCCCCCCCCc1ccc2-c1c(ccc(c2)C)OC(OC(OC)C)C	PC-id_19815759,SCHEMBL9876444	526.833	UGFWKGQWVCZZGB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155493
CCCCCCCCCCCCCCCCCCCc1ccc2-c1c(OCCOCCOC)ccc(c2)C	PC-id_57307971,SCHEMBL9876447	526.833	IWVATGRKGFPQIL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155494
CCC(c1cc(c(cc1)C(=O)O)N)NC(=O)N1Cc2nncn2CC(C1=O)Cc1c(ccc(c1)Cl)OC	PC-id_88994376,SCHEMBL13194981	526.972	LWRKIEHAIUWPLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155496
CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N1Cc2nncn2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC	SCHEMBL12979761	526.972	LWRKIEHAIUWPLR-OXJNMPFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155497
C[C@@H]([C@]1(C=Cc2c(n(cc2S(=O)(=O)N1)C)C(=O)Nc1cc(c(cc1)I)C#N)N)O	PC-id_163619464	527.012	HMWBJVSRKRHAHN-XTZNXHDOSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155498
Clc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_41320088	527.053	YVNYNIWURQHRNK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155499
Clc1sc(C(=O)NC2CC(OC(=O)NC)N(C2)C(=O)c2sc3c(C(OC)CN(CC3)C)c2)cc1	PC-id_77947784	527.057	LBBPTZBKZGDWRN-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155500
Clc1sc(C(=O)NC2CC(OC(=O)NCOC)N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_77947793	527.057	ACFTXRQBXAVTNL-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155501
Clc1sc(C(=O)N[C@@H]2C[C@H](OC(=O)NC)N(C2)C(=O)c2sc3c([C@H](OC)CN(CC3)C)c2)cc1	PC-id_70893716,SCHEMBL13372887	527.057	LBBPTZBKZGDWRN-TVZGQMOCSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155502
Clc1sc(C(=O)N[C@@H]2C[C@H](OC(=O)NCOC)N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	SCHEMBL13372936,PC-id_70893754	527.057	ACFTXRQBXAVTNL-KUHUBIRLSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155503
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@@](C=C)(C(F)(F)F)O)C(F)(F)F	PC-id_160945505	527.095	SNHMLARXCVDDGS-KDOFPFPSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155504
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@H](CO3)[C@](C=C)(C(F)(F)F)O)C(F)(F)F	PC-id_160945506	527.095	SNHMLARXCVDDGS-RDTXWAMCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155505
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@@](C=C)(C(F)(F)F)O)C(F)(F)F	PC-id_160945507	527.095	SNHMLARXCVDDGS-KSSFIOAISA-N	00000000100000110101000000000010000000000000000000000000	31-01-155506
CC1=C(C=C(C=C1)NC(=O)C2=C3C(=CN2C)S(=O)(=O)N[C@@H](CO3)[C@](C=C)(C(F)(F)F)O)C(F)(F)F	PC-id_160945508	527.095	SNHMLARXCVDDGS-KBXCAEBGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155507
ClC1=CCC(S1)C(=O)NC1CC(N(C1)C(=O)c1sc2c(c1)CCN(CC2)C)C(=O)NCCOC	PC-id_77997429	527.1	VPNFRZMSYMVNLA-UHFFFAOYSA-N	00000011100000000100000000000010000000000000000000000000	31-01-155508
ClC1=CCC(S1)C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1sc2c(c1)CCN(CC2)C)C(=O)NCCOC	PC-id_71055886,SCHEMBL14044887	527.1	VPNFRZMSYMVNLA-LNKXUWQBSA-N	00000011100000000100000000000010000000000000000000000000	31-01-155509
NCCCC(c1[nH]c2c(n1)C=CCC(=C2)C)NC(=O)C1=CC(=C(CC=C1)C(=O)NCCCC(CN)C)Cl	PC-id_142911710	527.101	ZTWWCAKKKPWJMT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155510
CC1=NC(=CS1)/C=C/C(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_148358385	527.189	LJWFRADSCCVBRO-VOTSOKGWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155511
CC1=NC=C(C=C1)OCC(=O)C[C@H]2CC[C@@H](OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160832880	527.207	SHAJTOIFDZQJBR-UYAOXDASSA-N	00000000100010101101000000000010000000000000000000000000	31-01-155512
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(C(C3)O)N=C(S4)OCC(C)(F)F	PC-id_152984805	527.209	UVCFPIDTGAKNCB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155513
CC1=NSC2=C1C(CN(C=C2C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)OCCCN4CCOCC4)(C)C	PC-id_161503675	527.245	LRFFGQYBRXLCLQ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-155514
Brc1n2CCCN(Cc2c(n1)C(=O)NC(Cc1ncsc1)C(=O)NC)C(=O)OC(C)(C)C	PC-id_76571583	527.435	GIDBXSGLFQUEPM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155515
Brc1n2CCCN(Cc2c(n1)C(=O)N[C@@H](Cc1ncsc1)C(=O)NC)C(=O)OC(C)(C)C	PC-id_57635691,SCHEMBL13798626	527.435	GIDBXSGLFQUEPM-ZDUSSCGKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155516
Brc1c2/C(=C/c3[nH]c4CCCN(C[C@@H](O)CN5CCCCC5)C(=O)c4c3C)/C(=O)Nc2ccc1	PC-id_71099989,SCHEMBL14212207	527.453	XMODSSUHTJHYMZ-XIDKLXSXSA-N	00000010100010100100000000001010000000000000000000000000	31-01-155517
Brc1c2C(=Cc3[nH]c4CCCN(CC(O)CN5CCCCC5)C(=O)c4c3C)C(=O)Nc2ccc1	PC-id_78008513	527.453	XMODSSUHTJHYMZ-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-155518
Brc1cc2/C(=C/c3[nH]c4CCCN(C[C@@H](O)CN5CCCCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_71099988,SCHEMBL14212206	527.453	YNQGVPKLIVMNOO-YNGKYYQNSA-N	00000010100010100100000000001010000000000000000000000000	31-01-155519
Brc1cc2/C(=C/c3[nH]c4CCCN(C[C@H](O)CN5CCCCC5)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL14212194,PC-id_71099981	527.453	YNQGVPKLIVMNOO-RXWSAZGZSA-N	00000010100010100100000000001010000000000000000000000000	31-01-155520
Brc1cc2C(=Cc3[nH]c4CCCN(CC(O)CN5CCCCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_78008507	527.453	YNQGVPKLIVMNOO-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-155521
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nn(Cc2c(Cl)cccc2F)c1	PC-id_20173892	527.462	NVALZYFSMGNSLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155522
CCOc1c(c(cc(c1)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1ccccc1)Br)O	PC-id_137051433	527.473	REJLHJSDPFSKLE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155523
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1O	ZINC22_408971873	527.473	REJLHJSDPFSKLE-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-155524
COc1cc(Br)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408969717	527.473	SJTMAFHWFBFDTI-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-155525
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OC	ZINC22_408971440	527.473	OLFZSOZZLAIKBW-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-155526
COc1cc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br	ZINC22_408970255	527.473	DQOMHRAGXZXRQO-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-155527
Brc1ccc(cc1)NC(=O)c1c(NC(=O)C[NH2+]CCc2ccccc2)sc2c1CCCCC2	GD-id_ZINC15946567,PC-id_26875300	527.496	XRMGCZWXAOOJQG-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-155528
Brc1c(n(nc1C)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C	PC-id_20176515	527.541	IMWWIYMEKFDXCO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155529
CCC(=CC(CC(=N)c1cccc(c1F)C(=O)c1c[nH]c2c1C(=NCC(F)(F)F)C(=C)C=CC(=C)C2)O)C	PC-id_137149465	527.553	MCTUSLXVEXFUIR-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-155530
O=C(NC(C(=O)NC(C(=O)NC1Cc2cnc(o2)CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21110037,PC-id_138730879	527.57	AIKIWNZYCTUEDM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155531
O=C(NC(C(=O)NC(C(=O)NC1Cc2ncc(o2)CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	PC-id_138730627,SCHEMBL21109782	527.57	ZZTPXJBYCRSWFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155532
CCOC(=O)c1c(c(c2-c1ccccc2)N=Nc1c(cc(c(c1)OC)N=Nc1ccc(cc1)N(C)C)OC)O	PC-id_136858973	527.571	QDGWITIGMRCMAP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-155533
CS(=O)(=O)c1cc(ccc1Nc1cc(Nc2cc3CCCCCn3n2)nc2[nH]c(nc12)C(F)F)C1CC1	PC-id_134455874,SCHEMBL20092258,BindingDB-id_901148	527.589	HIRDMPSQQMPYIS-UHFFFAOYSA-N	00100000100000110101100001000010000000000000000000000000	31-01-155534
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1cnc(nc1)C	PC-id_138671531	527.603	AHSAEVQQTMJHBE-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-155535
O=C(N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1cnc(nc1)C	SCHEMBL21041918	527.603	AHSAEVQQTMJHBE-IYARVYRRSA-N	00000000100010100101000000000010000000000000000000000000	31-01-155536
COC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)sc2c1CCCCC2	PC-id_121040776	527.613	GCYLSZJGYHXTTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155537
COC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccccc2)sc2c1CCCCC2	PC-id_121041831	527.613	XAHGKNQMZHNZAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155538
COC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccccc2)sc2c1CCCCC2	PC-id_121043856	527.613	LPWBMXGHNBBYRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155539
CC(C)C[C@@H]1NC(=O)CCc2cn(CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC1=O)[C@@H](C)O)nn2	ZINC22_952855832,MCULE-7974606668,EMOLS-id_289958248	527.616	GDNZWHLZIQOONI-NPWUYRIISA-N	00000000100000110101000000000010000000000000000000000000	31-01-155540
CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCn2cc(CNC(=O)[C@@H](NC1=O)[C@@H](C)O)nn2	EMOLS-id_289959703,MCULE-2793046509	527.616	TVDIONYLQZPFFT-CPDIYIAASA-N	00000000100000110101000000000010000000000000000000000000	31-01-155541
COCC(=O)N1C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2nc(C)nc2[C@H](Cc2ccccc2)NC(=O)C1)C(C)C	ZINC22_1704326378,EMOLS-id_317342636,PC-id_135119280,MCULE-4894300265	527.616	BAHIYSYLIDRFHR-JRGCBEDISA-N	00000000100000110101000000000010000000000000000000000000	31-01-155542
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(O)Nc2c1cc(F)c(c2)NC(=O)C(O)(C)C)CC	PC-id_145511717	527.631	XKWHPWGUKPHMEP-JXAWBTAJSA-N	00000010100000100100000000001010000000000000000000000000	31-01-155543
Cc1c(cccc1c1cn(C)c(=O)c(c1)Nc1ccc(cc1)C(=O)O)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL14271031,PC-id_71122006	527.634	KLEKMXKFUHVZFU-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-155544
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(c4ccc([N+](=O)[O-])cc4)o3)sc3c2CCCCCC3)c1	ZINC22_409012182	527.634	HXXNSLFGXIIVMA-FDAWAROLSA-N	00000000101000110100100000000010000000000000000000000000	31-01-155545
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(c4ccc([N+](=O)[O-])cc4)o3)sc3c2CCCCCC3)c1	ZINC22_409014583	527.634	NCRUIBHCXHITTM-FDAWAROLSA-N	00000000101000110100100000000010000000000000000000000000	31-01-155546
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(c4ccc([N+](=O)[O-])cc4)o3)sc3c2CCCCCC3)c1C	ZINC22_409011201	527.634	FGSPIQODHKTRFR-FDAWAROLSA-N	00000000101000110100100000000010000000000000000000000000	31-01-155547
CCN(C1=Nc2n(C)nc(c2CC=C1CN(/C(=N/N(N)C)/N)Cc1ccc(c(c1)F)F)C)CC1CCCC1	PC-id_143258762	527.656	ZJOBZACHQKKBFO-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-155549
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC)C#N	PC-id_19731288	527.659	PXJMXXCBJNSFQK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155550
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)C)C#N	PC-id_17301866	527.659	RVBOLDBMQLILPC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155551
O=C(Cc1nnc(s1)C)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)CCC(F)(F)F	PC-id_145451940	527.669	JWEVVMNGMDQBAY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155552
CC(C)(c1cc2c([nH]1)CCC(C=C2)C(=O)Nc1c(ccc(c1)c1ccc(cc1)F)N)N1CCN(CC1)C1CC1	PC-id_90917745	527.675	JTZBLIVYDUZZTF-UHFFFAOYSA-N	00100000100010110111100000000010000000000000000000000000	31-01-155553
O=C1OC(CC(O)CC)C(/C=C(C(=O)NC(c2nc(cs2)C(=O)NC1Cc1ccccc1)C(C)C)/C)C	CNP0323348	527.675	LMWDPSXUGSTACD-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155554
CCOC(=O)Cn1c(C)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c2ccccc12	ZINC22_409018292	527.677	ULNUXMGGJRLJSK-BIZUNTBRSA-N	00000000100000110100000001100010000000000000000000000000	31-01-155555
s1c2c(CCCCC2)c(c1NC(=O)C(n1nc(c2c(n(nc2)C(C)(C)C)c1=O)C(C)C)C)C(=O)OCC	PC-id_44037066	527.679	VNYCZAJZDWIYMB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-155556
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)cccc2)C(=O)OC	PC-id_3664509	527.679	WICZHZUUOQZOAW-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-155557
Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(C)(C)F)sc3CC2)CC1	BindingDB-id_989427,SCHEMBL21041887	527.697	WPEFJCKNIISAPH-MXVIHJGJSA-N	00000000100010100101000001000010000000000000000000000000	31-01-155558
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(C)C	PC-id_138671501	527.697	WPEFJCKNIISAPH-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-155559
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)CC)C(=O)OCC	PC-id_20127885	527.702	QDQGDAXPKBIMOR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155560
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)C)C(=O)OC	PC-id_17307308	527.702	WMFMVEMVKPNOTJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155561
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)CC)C(=O)OCC	PC-id_20128217	527.702	QUXSVPOLQCCINV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155562
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)CC)C(=O)OC	PC-id_20127819	527.702	SFWUAAPUMCVJOF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155563
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)CC)C(=O)OC	PC-id_17303916	527.702	FQXUBHFRXYZOCI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155564
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CCOC(=O)C(CCCc2nc(C1)sc2)N)/C)C)C	PC-id_145165703	527.719	HPBOUKFPMALIKG-BAISHNPDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155565
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CCOC(=O)CC(CCc2nc(C1)sc2)N)/C)C)C	SCHEMBL19430525	527.719	WEGZVXYUKFRUQE-NFJPIJAOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155566
CNC/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)[C@H](CCCc2nc(C1)sc2)N)/C)C	PC-id_145165709	527.719	JCUTWBNCONTUOI-PVQAEGOISA-N	00000000100000000111000000000010000000000000000000000000	31-01-155567
COc1nc(C)cc(c1CN1CCCc2c(C1=O)c(C)c(s2)CC1CCN(CC1)C(=O)OC(C)(C)C)C	PC-id_138494630,SCHEMBL20843740	527.719	LNJHEJAMSFJWDK-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-155568
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)CC)C#N	PC-id_19718288	527.725	RCEARWLBIHTXBQ-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-155569
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)C)C#N	PC-id_19717483	527.725	RDBBPNWYHDREGS-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-155570
CCCCCCCC/C(=C/CC(=O)CCCCCCCCCN1C(=O)CC(C)Cc2c(C1=O)n(C)cn2)/C	PC-id_141827290	527.782	MLNZSFMBDPPTMC-LHLOQNFPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155571
CCCNc1nc2=CCC=C(C=c2n1CCCN(CCC)CCC)C(C(=O)N(CC(C)C)CC(C)C)(C)C	PC-id_142936920	527.828	RXYSKCIJKCLYGM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155572
CCC(c1cccc(c1)C(=O)O)NC(=O)N1Cc2nnc(n2CC(C1=O)Cc1cc(Cl)ccc1OC)O	SCHEMBL13194792,PC-id_70855990	527.957	IXEZJOILADIWTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155573
CC[C@H](c1cccc(c1)C(=O)O)NC(=O)N1Cc2nnc(n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC)O	SCHEMBL12980835,PC-id_70815356	527.957	IXEZJOILADIWTJ-PKOBYXMFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155574
CC1(CN(CCN1C(=O)c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)C(F)(F)F)C)C	PC-id_90460662,SCHEMBL16099936	527.967	HEEACDUHMNBCLT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155575
COc1c(ccc(c1)Cl)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1ccccc1C#N	PC-id_134805954	528.001	HRZJIIVPWMVUHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155576
COC(=O)c1c(NC(=O)COC(=O)c2ccccc2OCc2ccccc2Cl)sc2c1CCCCC2	ZINC22_103089809,CoCoCo_2989154,PC-id_4679404,EMOLS-id_43746701,MCULE-7278390253	528.016	CBEPGBBAGVQIRP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155577
Clc1cc(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)c(OC)cc1	PC-id_19731701	528.089	SAQZONPDBMVWBM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155578
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)cc1)C	PC-id_19634361	528.089	XSKGVPXJRZOSPC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155579
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)cc1)C	PC-id_20122102	528.089	PIDQWURIKFZKMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155580
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cc1	PC-id_20121786	528.089	GOMGCPPMHQJSOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155581
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)C)ccc1	PC-id_17302609	528.089	RIMKLVUFLSQSFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155582
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)C)cccc1	PC-id_19638760	528.089	LTGLFAHSOASLAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155584
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cccc1	PC-id_17304999	528.089	ZRPYKAHZDJKWBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155585
Clc1ccc(S(=O)(=O)N2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1	PC-id_20180857	528.108	UFMDSMXHISGJTI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155586
CC1=NC=C(C=N1)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F	PC-id_161695753	528.218	XFIXTWFXSZZVIO-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-155587
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)N(C)CC(F)(F)F	PC-id_162046038	528.22	YXWYYIQPCSNUOE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155588
CC(C(F)(F)F)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)COC4=CN(N=C4)C	PC-id_161129418	528.238	WTJXZSLDIOINBX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155589
C[C@H](C(F)(F)F)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)COC4=CN(N=C4)C	PC-id_161600919	528.238	WTJXZSLDIOINBX-LMDPOFIKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155590
Brc1c(OC)c(C=CC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc(Br)c1	PC-id_4361008	528.257	PGNSDNMXMYZWNO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155591
COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_6079761,ZINC22_100371643	528.257	PGNSDNMXMYZWNO-BQYQJAHWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155592
N[C@H](Cc1cc(F)cc(c1I)F)CC(=O)C1CCn2c(CC1)nnc2C(F)(F)F	PC-id_145167113	528.258	XEDLMIQXCYAHHR-FFFFSGIJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155593
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NC1CNC1)CC(CNC2=O)(C)C	PC-id_69067489,SCHEMBL4498264	528.382	IXVWGUNQIVWTLT-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-155594
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NN1CCC1)CC(CNC2=O)(C)C	SCHEMBL4498267,PC-id_69067491	528.382	YYPBVIGIYXQTJV-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-155595
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CC(N)C2)cc1	PC-id_69072626,SCHEMBL4509316	528.382	BVZRKWAPVGWCEN-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-155596
O=C(N1CCCn2c(C1)cc(n2)C(=O)NS(=O)(=O)C)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL17509122,PC-id_118875569	528.425	WJRUFZDLMAEUPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155597
COc1ccc(cc1)C(=O)c1c(C)c(c2-c1ccccc2)Cc1scc(n1)c1ccc(cc1)Br	PC-id_139814853	528.459	ZMHPMYVOSHLFFU-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-155598
Brc1ccc(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)cc1	PC-id_19729478	528.488	TZCUJMVPGASXST-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155599
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(F)c(F)c(c(F)c1F)C(F)(F)F)C(=O)OCC	PC-id_20170427	528.507	RKECMGSJAHOAES-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155600
FC(F)(F)c1ccc(c2c(cccc2)C(=O)Oc2ccc(/C=C(/c3n4CCCCCc4nn3)C#N)cc2)cc1	CoCoCo_3719614,PC-id_5861911	528.524	VFKHLXCBVWMENT-RELWKKBWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155601
FC(F)(F)c1ccc(c2c(cccc2)C(=O)Oc2ccc(C=C(c3n4CCCCCc4nn3)C#N)cc2)cc1	PC-id_3563488,EMOLS-id_300982014,MCULE-5489944059	528.524	VFKHLXCBVWMENT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155602
FC(F)(F)c1ccc(c2c(cccc2)C(=O)Oc2ccc(/C=C(c3n4CCCCCc4nn3)/C#N)cc2)cc1	PC-id_75408567,CoCoCo_3719615	528.524	VFKHLXCBVWMENT-PYCFMQQDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155603
C/C=CC(=C(C1=Nc2c(Br)cnn2C(CC1)NCCCCNC(=O)C/C=CC(=C/C=C)C)/C)C	PC-id_143441929	528.528	RENIDBIQXISUJR-CZBHHJDJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155604
CC(OC(=O)C1=CN(CC(c2c1[nH]c(c2C)SC(=C)C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	PC-id_145409493	528.535	CIQPFOCUOAEUIZ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-155605
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C(=O)OC)C(=O)OC	SCHEMBL9335477,PC-id_19102838	528.553	WHKNQZPAQLVNTL-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-155606
o1c2nc(c1CCC=CCNC(=O)OC[C@H](NC(=O)OCc1ccccc1)C(=O)NC2C(C)C)C(=O)OC	PC-id_6612934	528.554	OGBQLFCOAOGSIA-LROBGIAVSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155607
o1c2nc(c1CCC=CCNC(=O)OCC(NC(=O)OCc1ccccc1)C(=O)NC2C(C)C)C(=O)OC	PC-id_78417805	528.554	OGBQLFCOAOGSIA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155608
O=C(NC(C(=O)NC(C(=O)NC1Cc2nnc(o2)CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21109442,PC-id_138730289	528.558	XZHNLIVDPGXIDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155609
O=C(N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1ccc(nc1)C	SCHEMBL21041117,PC-id_138670770	528.588	LYBPPDISMZOJNZ-ZWKOTPCHSA-N	00000000100010101101000000000010000000000000000000000000	31-01-155610
O1C(C(O)C(O)C(O)C1CO)c1cc(Cc2c(c3-c(c2C(=O)OC)ccccc3)Cc2ccccc2)ccc1	PC-id_72423705	528.592	IRIJMJDVKHXEDO-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-155611
O1C(C(O)C(O)C(O)C1CO)c1c(ccc(c1)Cc1c(c2-c(c1C(=O)O)ccccc2)Cc1ccccc1)C	PC-id_72423682	528.592	PITHGAWPPWISQF-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-155612
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1cc(Cc2c(c3-c(c2C(=O)OC)ccccc3)Cc2ccccc2)ccc1	PC-id_58786222,SCHEMBL14590122	528.592	IRIJMJDVKHXEDO-VYYBUWSNSA-N	00000010100010110110100000000010000000000000000000000000	31-01-155613
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(ccc(c1)Cc1c(c2-c(c1C(=O)O)ccccc2)Cc1ccccc1)C	SCHEMBL14590090,PC-id_58786196	528.592	PITHGAWPPWISQF-VYYBUWSNSA-N	00000010100010110110100000000010000000000000000000000000	31-01-155614
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1ccccc1	EMOLS-id_317486973,PC-id_137334907,ZINC22_1772700901,MCULE-8001967674	528.601	IOPWBVNKQXTQSQ-YVCBRDFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155615
COC(=O)[C@@H]1CCCCn2nnc(c2)C[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)NC(=O)OCc1ccccc1	7152767_OpenMolecule,PC-id_71545295,CT-id_7152767	528.601	JOXIQBYKHGMHRV-FKBYEOEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155616
O=C1NC(CC(C)C)C(=O)NC(Cc2nnn(CCCCC1NC(=O)OCc1ccccc1)c2)C(=O)OC	PC-id_78106200	528.601	NXNDIWCJKGJQHR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155617
O=C1NC(CC(C)C)C(=O)NC(COCc2nnn(CCCCC1NC(=O)OCc1ccccc1)c2)C=O	PC-id_78106291	528.601	UQYHHFPGNQUTOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155618
O=C1NC(CCCCn2nnc(CC(NC(=O)OCc3ccccc3)C(=O)NC1CC(C)C)c2)C(=O)OC	PC-id_78106118	528.601	JOXIQBYKHGMHRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155619
O=C1N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2nnn(CCCC[C@@H]1NC(=O)OCc1ccccc1)c2)C(=O)OC	PC-id_71545458	528.601	NXNDIWCJKGJQHR-FKBYEOEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155620
O=C1N[C@@H](CC(C)C)C(=O)N[C@@H](COCc2nnn(CCCC[C@@H]1NC(=O)OCc1ccccc1)c2)C=O	PC-id_71545618	528.601	UQYHHFPGNQUTOB-VJBWXMMDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155621
Cc1c(cccc1c1cn(C)c(=O)c(c1)Nc1ccc(cn1)C(=O)O)NC(=O)c1cc2c(s1)CCCCC2	PC-id_59740605,SCHEMBL1322787	528.622	FOYQFTMFDQAKQS-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-155622
Cc1c(cccc1c1c[nH]c(=O)c(c1)N(c1ccc(cn1)C(=O)O)C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL3969273,PC-id_68858725	528.622	WVTWHXPKJPMYCG-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-155623
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)OCCC)OCCC	PC-id_19102873,SCHEMBL9339341	528.639	DLZHJJIQVFKRRW-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-155624
c1cc2-c(c1)ccc(cc2)C#Cc1cc(C#Cc2ccc3-c(cc2)ccc3)cc(c1)C#Cc1ccc2-c(cc1)ccc2	PC-id_101167446	528.64	XAOCVFFPGQOCDJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-155625
CN1CCC(=O)c2c(C1=O)n(CCCCN1CCN(CC1)C(=O)c1ccc(cc1)OCc1ccccc1)cc2	SCHEMBL6989395,PC-id_20085263	528.642	OZQUPNDXSDYUSY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155626
CN(CCCOc1ccccc2-c1c(C)cc2C=C1C(=O)Nc2c1cc(cc2)NC1CCN(CC1)C(=O)O)C	PC-id_140550621	528.642	GLXJFMZGRVKHIO-UHFFFAOYSA-N	00000010100010100110000000001010000000000000000000000000	31-01-155627
CN(CCCOc1ccccc2-c1c(C)cc2C=C1C(=O)Nc2c1ccc(c2)NC1CCN(CC1)C(=O)O)C	PC-id_140550622	528.642	DPRUKELKCBVCBX-UHFFFAOYSA-N	00000010100010100110000000001010000000000000000000000000	31-01-155628
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CCC#N)CCC#N)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3353626,CoCoCo_5015595,EMOLS-id_5471802,ZINC22_11852860,MCULE-3722619702	528.644	FHUAYYUKQWLQIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155629
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(n2c(nnc2SC)C)cc1)C)C(=O)OC	PC-id_24164064	528.644	BUBCMVXJELGLDC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155630
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(n2c(nnc2SC)C)cc1)C(=O)OCC	PC-id_24163703	528.644	VDKWBRQZHFPMRB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155631
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1ccc(n2c(nnc2SC)C)cc1)C(=O)OC	PC-id_24027248	528.644	CHYFPGKUMUHYFX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155632
O=C(Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)NCc1c2CCCCc2sc1C(F)(F)F	SCHEMBL19557001	528.65	YBWYLQOGHYZSPP-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-155633
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)/C=C/c1cnc(s1)C	PC-id_138670759	528.654	WHZPXQSEKRMQDH-VOTSOKGWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155634
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)/C=C/c1csc(n1)C	PC-id_138671386	528.654	UDKZJCZRJZWXPC-VOTSOKGWSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155635
O=C(N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)/C=C/c1cnc(s1)C	SCHEMBL21041106	528.654	WHZPXQSEKRMQDH-IGGCZAQCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155636
O=C(N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)/C=C/c1csc(n1)C	SCHEMBL21041769	528.654	UDKZJCZRJZWXPC-IGGCZAQCSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155637
s1c2c(CCCCCC2)c(c1NC(=S)NCCCn1nc(cc1C1CC1)C(F)(F)F)C(=O)OCC	PC-id_20174872	528.654	ANTTYWCIHWTFRN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-155638
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(C(C1)O)nc(s2)OCC(F)(F)C	PC-id_138671284	528.679	OCNXXCVQVSXWQM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155639
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(C(C1)O)nc(s2)OCC(F)(F)C	SCHEMBL21041663	528.679	OCNXXCVQVSXWQM-JHNFVTJISA-N	00000000100010000101000000000010000000000000000000000000	31-01-155640
CCN(S(=O)c1cc2c(s1)CC=C(C=C2)C)CC(=O)N(Cc1ccc(cc1)C(=NC)N)CC(=O)OC	PC-id_142132250	528.687	QRBFTTNLPPBNRV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-155641
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C)C(=O)OCC	PC-id_21165241	528.687	LBFUHSVIBUHXLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155642
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(cc1)C)C(=O)OCC	PC-id_21165443	528.687	VXGLDMWLFFFMBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155643
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC)C(=O)OCC	PC-id_19732345	528.687	OMFFMQNWWNXACP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155644
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)C)C(=O)OC	PC-id_17302161	528.687	QMKBGCMTRMSYSC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155645
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)C)C(=O)OC	PC-id_17302233	528.687	KNSOTOHHQYPRET-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155646
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC)C(=O)OCC	PC-id_19731995	528.687	NJZBLIUSAFOFEV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155647
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC)C(=O)OCC	PC-id_20123896	528.687	SMEALBBZNJJRIQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155648
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)C)C(=O)OC	PC-id_17262129	528.687	AAZIQGOMDLKSGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155649
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)CC)C(=O)OC	PC-id_17270902	528.687	ITUDZENDCHZXOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155650
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)CC)C(=O)OC	PC-id_17306013	528.687	DTRNVINYVVVFRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155651
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)C)C(=O)OC	PC-id_17306138	528.687	KDXXMVUALGFAGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155652
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC)C(=O)OC	PC-id_19635894	528.687	JKUHNEMBNJIMRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155653
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC)C(=O)OC	PC-id_19636587	528.687	BDFSATMYLWZONY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155654
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)C)C(=O)OC	PC-id_19637175	528.687	GZHQHTOWCVFOFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155655
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)C)C(=O)OC	PC-id_19637519	528.687	ALRQXFBJRXFPIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155656
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC)C(=O)OC	PC-id_19643417	528.687	ZQJRWNYVLCAVSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155657
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC)C(=O)OC	PC-id_20128801	528.687	QCJQZRPOHHWSPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155658
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)CC)C(=O)OC	PC-id_21165669	528.687	FJLLTKMEUWOHNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155659
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC)C(=O)OC	PC-id_21166002	528.687	YNOZUYOQXCUOFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155660
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)C)C(=O)OCC	PC-id_17304067	528.687	ASJJUHHVPQRIDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155661
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC)C(=O)OCC	PC-id_17304409	528.687	MIIXNKXTAFAHRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155662
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)C)C(=O)OCC	PC-id_17304590	528.687	HMKYVRCEOAEPCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155663
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)C)C(=O)OCC	PC-id_17307680	528.687	JYYWXMKCHNGHCO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155664
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC)C(=O)OCC	PC-id_19634951	528.687	DXXLDCQNNARTSG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155665
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)C)C(=O)OCC	PC-id_19635858	528.687	XKGUOEKDTXSYQV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155666
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)C)C(=O)OCC	PC-id_19636201	528.687	BIIYISMUXBAMDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155667
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)C)C(=O)OCC	PC-id_19636558	528.687	SFXQEHLMURBVSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155668
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)C)C(=O)OCC	PC-id_21165966	528.687	OOLXSCXAOHDEBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155669
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)C)C(=O)OCC	PC-id_21166277	528.687	ZQWJXEAZVBVUMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155670
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC)C(=O)OC	PC-id_19632174	528.687	JYZDCPXQPQMCKV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155671
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(CC)cc1)C)C)C(=O)OC	PC-id_19638873	528.687	LXKYKFCKXRIVCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155672
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)C)C(=O)OCC	PC-id_19632144	528.687	HUNMYROKZOBUMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155673
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)C)C(=O)OC	PC-id_19632329	528.687	YJKCEKKOHPKYRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155674
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C)C(=O)OC	PC-id_17304466	528.687	VKCPZMKFZNMNOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155675
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(cc1)C)C(=O)OC	PC-id_17304535	528.687	JVOOJCUAHXLPMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155676
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC)C(=O)OC	PC-id_19732268	528.687	QCTHLFYNBNCMAZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155677
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC)C(=O)OC	PC-id_19731931	528.687	JMBMDMYQGXNMNC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155678
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC)C(=O)OC	PC-id_20123842	528.687	OCOACIULCRTTLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155679
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC)C(=O)OC	PC-id_17262575	528.687	KHZQBNRAAIFYFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155680
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)C)C(=O)OC	PC-id_17266697	528.687	RCGMFGNEKZZIED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155681
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)C)C(=O)OC	PC-id_19635776	528.687	UZPCYSHVFWEATM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155682
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)C)C(=O)OC	PC-id_19636127	528.687	SHDTWEHLIKXDLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155683
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)C)C(=O)OC	PC-id_19636485	528.687	VOOLTACPTRVNPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155684
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)C)C(=O)OC	PC-id_19643341	528.687	XYYYATRWHNONHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155685
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC)C(=O)OC	PC-id_21164984	528.687	FILNSVNVILWXGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155686
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)C)C(=O)OC	PC-id_21165562	528.687	KZPMSYFBBPFBLX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155687
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)C)C(=O)OC	PC-id_21165896	528.687	ZSKDMBDILMHCMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155688
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)C)C(=O)OC	PC-id_21166198	528.687	BAVCWHKWYMHTRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155689
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)C)C(=O)OC	PC-id_17267248	528.687	KKRWKBRFOAQTKM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155690
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2sccc2)ccc1)C)C(=O)OCC	PC-id_18911088	528.707	ZHFNDPLHCWOXOK-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-155693
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2sccc2)ccc1)C)C(=O)OC	PC-id_18911089	528.707	YEWNQLMEFPVWOQ-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-155694
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2sccc2)ccc1)C(=O)OCC	PC-id_18911123	528.707	NUMIMGFKNDSQOG-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-155695
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C(=C(C)C)[C@@H]2CC3)sc2c1CCCCCCCCCCC2	GD-id_ZINC08455316,PC-id_40737812	528.723	WUEWKIOEQWJMCU-JQOLTRQRSA-M	00000010100010000100000000000110000000000000000000000000	31-01-155696
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C(=C(C)C)[C@@H]2CC3)sc2c1CCCCCCCCCCC2	PC-id_40737810,GD-id_ZINC08455315	528.723	WUEWKIOEQWJMCU-JMLJLYKJSA-M	00000010100010000100000000000110000000000000000000000000	31-01-155697
s1c(NC(=O)C2C3C(=C(C)C)C(C2C(=O)[O-])CC3)c(c2c1CCCCCCCCCCC2)C(=O)OCC	PC-id_74712940	528.723	WUEWKIOEQWJMCU-UHFFFAOYSA-M	00000010100010000100000000000110000000000000000000000000	31-01-155698
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CCCCC2)ccc1)CC)C(=O)OC	PC-id_18911813	528.726	VOCMZKWECYJOQB-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-155699
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CCCCC2)ccc1)C)C(=O)OCC	PC-id_18911748	528.726	IURNPUDFJNQEMC-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-155700
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CCCCC2)ccc1)C)C(=O)OC	PC-id_18911749	528.726	OMJRESAOSHXDKY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-155701
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C2CCCCC2)ccc1)C(=O)OCC	PC-id_18911783	528.726	WYPMZPHHQUMUID-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-155702
CC1CC(=CCCC(=O)OC(Cc2nc(cs2)CCCCC(=O)O1)C=C(C)C=CC(=CCN(C)C)C)C	PC-id_88969657	528.746	DHQRHVFZUAEFIR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155703
CC1CC(=CC=CC(=O)OC(Cc2nc(cs2)CCCCC(=O)O1)CC(C)C=CC(=CCN(C)C)C)C	PC-id_90455393	528.746	SOZCAKYRVLIIAH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155704
CN(C/C=C(/C=C/C(=C/C1OC(=O)CC/C=C(C)/CC(C)OC(=O)CCCCc2nc(C1)sc2)/C)C)C	SCHEMBL12844900	528.746	DHQRHVFZUAEFIR-GVKJNYERSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155705
CN(C/C=C(/C=C/C(CC1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CCCCc2nc(C1)sc2)C)C)C	SCHEMBL16093259	528.746	SOZCAKYRVLIIAH-WDRIYHHKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155706
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)CC/C=C(C)/C[C@H](C)OC(=O)CCCCc2nc(C1)sc2)/C)C)C	SCHEMBL12779414,PC-id_59343223	528.746	DHQRHVFZUAEFIR-WITPTQISSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155707
CN(C/C=C(/C=C/C(C[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)CCCCc2nc(C1)sc2)C)C)C	SCHEMBL16103945	528.746	SOZCAKYRVLIIAH-DEBKBDHESA-N	00000000100000000111000000000010000000000000000000000000	31-01-155708
CCN1C(=S)N(CC)C(=O)C(=C2C=C(/C=C/c3cc(c4-c3c(C)ccc(c4)C(C)C)C)CC(C2)(C)C)C1=O	PC-id_100938995	528.748	FPIPWTIMNVALAM-WYMLVPIESA-N	00000010100011000111100000000010000000000000000000000000	31-01-155709
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCCC(F)(F)F	PC-id_161148665	529.204	UOJTVWIKDBRROO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155728
CCOC(CC1CCC(CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C)CN	PC-id_139563513,SCHEMBL21441563	528.75	AINDZUFXLQOELC-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-155710
CCC(C/C(=C/C)/N(C)CC[C@@H](c1nccs1)N=C(C)N)n1c(nc2c1CCCCC(C2)C(=O)OC)C	SCHEMBL20460965,PC-id_135294450	528.753	KEEPXWLUOCKEHO-SZQSRJCKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155711
C[Si](C#Cc1sc(c2c1OCC(CO2)(Cc1ccccc1)Cc1ccccc1)C#C[Si](C)(C)C)(C)C	PC-id_67317168,SCHEMBL2207997	528.852	HIZLUOFJOFEPQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155712
Clc1nnc(NS(=O)(=O)c2ccc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)cc2)cc1	PC-id_19523651	528.935	HNWQAVIHFNFAAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155713
CC1OC(C)CN(C1)CC(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700435	528.952	DUAHIEVHDSAWNT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155714
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)CN2C(C)COCC2C)cc(c1)C(F)(F)F	PC-id_140700433	528.952	CCVFIJMOIXFLSR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155715
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)CN2CCOCC2(C)C)cc(c1)C(F)(F)F	PC-id_140700385	528.952	MQQBGHHUOHDAGI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155716
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)CN2CCOC(C2C)C)cc(c1)C(F)(F)F	PC-id_140700506	528.952	TWNCXDFYWZKQRA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155717
Clc1cc(C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)ccc1	PC-id_18910460	529.071	YSINEAZTQKOFDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155718
O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2OCc2ccccc2Cl)sc2c1CCCCCC2	ZINC22_408968899	529.092	CMJYJTNSIVGECU-FMFFXOCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155719
O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2OCc2ccc(Cl)cc2)sc2c1CCCCCC2	ZINC22_408969951	529.092	XPNXLDRXIHXXKC-FMFFXOCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155720
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OCc3ccccc3Cl)cc2)sc2c1CCCCCC2	ZINC22_408971571	529.092	JCCGCDIAEKJDQV-FMFFXOCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155721
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)sc2c1CCCCCC2	ZINC22_408969792	529.092	UQIROFYBARAGBI-FMFFXOCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155722
C=C/C=C(C=C
/CN(Cc2c(N1)n(C)nc2)C(=O)C1CCC(CC1)CNC(=O)CCC1CCNCC1)/Cl	PC-id_143188679	529.117	AXLZMFWALBNCKE-KBKXMSLZSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155723
Cl/C=C/C=C/1C(=C/C)Nc2c(CN1C(=O)C1CCC(CC1)CNC(=O)CCC1CCNCC1)cnn2C	PC-id_143189010	529.117	ABDRPOOIUHCRRA-XKKYGXIUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155724
CC1=NC=C(S1)/C=C/C(=O)C[C@H]2CC[C@@H](OC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_160709079	529.168	RRPONVXISOYLCR-MGDPNLISSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155725
CN1C(=CC=C(C1=O)F)C(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_161129416	529.202	HAQYYLWTNAFHLM-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-155726
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(C(C3)F)N=C(S4)OCC(C)(F)F	PC-id_161900943	529.204	YFJZJLUUEAQKDS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155727
CC(C(F)(F)F)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)NC(=O)COC4=CN(N=C4)C	PC-id_148551114	529.233	MTEACUBKWDTOSU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155730
C[C@H](C(F)(F)F)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)NC(=O)COC4=CN(N=C4)C	PC-id_148551113	529.233	MTEACUBKWDTOSU-WWDZGPRUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155731
CN1C=C2C(=N1)C=CC=C2C(=O)CC3CCC(CC3)CCN4CCC5=CN(N=C5CC4)CCCC(F)(F)F	PC-id_161949781	529.303	YLQJPRUSAFINSU-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-155732
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CC(O)C2)cc1	PC-id_69069862,SCHEMBL4503322	529.367	BFMOSKFGQPRGET-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-155733
Brc1c(NC(=O)C(OC(=O)c2sc3CCCCCc3c2)c2ccccc2)ccc([N+](=O)[O-])c1	PC-id_4833229,EMOLS-id_43703883,MCULE-5041921727	529.403	SFYNFSKRGCXSNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155734
O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1cc2c(s1)CCCCC2	PC-id_98417754,CoCoCo_2861290,ZINC22_103125206	529.403	SFYNFSKRGCXSNT-JOCHJYFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155735
O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1cc2c(s1)CCCCC2	ZINC22_103125203,CoCoCo_2861291,PC-id_98417752	529.403	SFYNFSKRGCXSNT-QFIPXVFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155736
Brc1c2C(=Cc3[nH]c4CCCN(C[C@@H](O)CN5CCOCC5)C(=O)c4c3C)C(=O)Nc2ccc1	PC-id_68526254,SCHEMBL3140133	529.426	FVKKKJMQUADVQP-INIZCTEOSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155737
Brc1c2/C(=C/c3[nH]c4CCCN(C[C@@H](O)CN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2ccc1	SCHEMBL3140121,PC-id_25131959	529.426	FVKKKJMQUADVQP-BQGMYUGNSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155738
Brc1c2/C(=C/c3[nH]c4CCCN(CC(O)CN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2ccc1	PC-id_68526251,SCHEMBL3140124	529.426	FVKKKJMQUADVQP-ATVHPVEESA-N	00000010100010100101000000001010000000000000000000000000	31-01-155739
Brc1c2C(=Cc3[nH]c4CCCN(CC(O)CN5CCOCC5)C(=O)c4c3C)C(=O)Nc2ccc1	PC-id_68526252,SCHEMBL3140127	529.426	FVKKKJMQUADVQP-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155740
Brc1cc2/C(=C/c3[nH]c4CCCN(C[C@H](O)CN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_25116296,SCHEMBL13415511	529.426	SOQWOEWOZDTYDE-UEXNTNOUSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155741
Brc1cc2/C(=C/c3[nH]c4CCCN(C[C@@H](O)CN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_25132752,SCHEMBL3144547	529.426	SOQWOEWOZDTYDE-LSPINASFSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155742
Brc1cc2C(=Cc3[nH]c4CCCN(C[C@H](O)CN5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_71080332,SCHEMBL14136789	529.426	SOQWOEWOZDTYDE-QGZVFWFLSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155743
Brc1cc2C(=Cc3[nH]c4CCCN(C[C@@H](O)CN5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	SCHEMBL3144565,PC-id_68527787	529.426	SOQWOEWOZDTYDE-KRWDZBQOSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155744
Brc1cc2/C(=C/c3[nH]c4CCCN(CC(O)CN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_68524726,SCHEMBL3135898	529.426	SOQWOEWOZDTYDE-UNOMPAQXSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155745
Brc1cc2C(=Cc3[nH]c4CCCN(CC(O)CN5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_68524728	529.426	SOQWOEWOZDTYDE-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155746
BrCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C	SCHEMBL15154532	529.448	IWLJZFRFYMDPEE-FDOGZAMYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155747
CC(C)C1C(=O)OC(CC(=O)NCc2nc(cs2)C(=O)NC(C(=O)N1)(C)C)C=CCCBr	PC-id_86691465	529.448	IWLJZFRFYMDPEE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-155748
Clc1c2-c(c(c1)/C=N/c1ccc(c3ccc(/N=C/c4c5-c(c(Cl)c4)ccccc5)cc3)cc1)ccccc2	PC-id_10530234	529.458	LGMOFQBQKOGAQT-DITNJDIQSA-N	00000010100000110110100000000010000000000000000000000000	31-01-155749
O=CNc1ccc(cc1/C(=C/c1[nH]c2c(c1C)C(=O)N(CCC2)CCCN1CCOCC1)/C)Br	PC-id_145511771	529.469	GKKJNNWGXKRHLK-OBGWFSINSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155750
c1cc(ccc1C=CC(=O)N1C=Cc2cn(cc2C=C1)C(=O)c1ccc(cc1)S(=O)(=O)N)OC(F)(F)F	PC-id_90421655	529.488	OUABNWCGMZLRKY-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-155751
O=C(N1C=Cc2c(C=C1)cn(c2)C(=O)c1ccc(cc1)S(=O)(=O)N)/C=C/c1ccc(cc1)OC(F)(F)F	SCHEMBL16053174	529.488	OUABNWCGMZLRKY-XCVCLJGOSA-N	00000000100000110110000000000010000000000000000000000000	31-01-155752
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C(F)(F)F)(C)C)C(=C)c1ccc(cc1)OCCn1cncc1)C	SCHEMBL19659368	529.554	SWVSVYPFEQSOML-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155753
Cc1ncc(OCC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)OC2)cn1	PC-id_138671939,BindingDB-id_989438,SCHEMBL21042364	529.576	CDHCKVBAZOTCNN-DLBZAZTESA-N	00000000100010100101000000000010000000000000000000000000	31-01-155754
O=C(NCc1cc2OCOc2cc1)C1CCN(CC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049482	529.587	ZULYPQFFKBDPJU-UHFFFAOYSA-N	00000010100010110101000000001010000000000000000000000000	31-01-155755
O=C(NCc1cc2OCOc2cc1)C1N(CCCC1)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1	PC-id_46049468	529.587	NWRKOBXTCGCISE-UHFFFAOYSA-N	00000010100010110101000000001010000000000000000000000000	31-01-155756
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1ccccn1	PC-id_137337458,EMOLS-id_317463942,ZINC22_1772702577,MCULE-1908742209	529.589	CVLGTTGFEFTMSK-GQSCTRQFSA-N	00000000100000101101000000000010000000000000000000000000	31-01-155757
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1cccnc1	PC-id_137341783,ZINC22_1772713926,EMOLS-id_317484452,MCULE-6318075471	529.589	XJAWMGUCQPTTDD-GQSCTRQFSA-N	00000000100000101101000000000010000000000000000000000000	31-01-155758
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1ccncc1	ZINC22_1772714058,PC-id_137340307,EMOLS-id_317496239,MCULE-5891042531	529.589	XSBHROJKWIEKGZ-GQSCTRQFSA-N	00000000100000101101000000000010000000000000000000000000	31-01-155759
s1c2c(CCCCC2)c(c1NC(=O)NS(=O)(=O)c1ccccc1)C(=O)NNc1ccc([N+](=O)[O-])cc1	PC-id_45112457	529.589	UYPASBXSMNOKET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155760
COc1ccc([N+](=O)[O-])cc1c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)o1	ZINC22_408970580	529.607	IVAZAUPDOKUHNR-UXHLAJHPSA-N	00000000101000110100100000000010000000000000000000000000	31-01-155761
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC=C)C#N	PC-id_17255090	529.625	BBUFJTDTHWUCCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155762
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC(F)F)cc1)CC=C)C#N	PC-id_19643223	529.625	HEWCRVXXLSIPOT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155763
O=C(Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)NCc1c2CCNCc2sc1C(F)(F)F	SCHEMBL18501932	529.639	RDLCJYZBFMEPQN-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-155764
O=C(Cc1snc(n1)C)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451797	529.642	DLUDVZUEISWDLY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155765
C=CC1(CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)F)NC(=O)c1ccn2c1cccn2	PC-id_145451348	529.645	WSYXGLJSQHNSRB-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-155766
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)C=NC(=O)c1cccc2c1cn(n2)C)F	PC-id_145451997	529.645	LCWBFNKQXLHREE-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-155767
CCOC(=O)c1c(N)c(c2-c1c(CC)c(CC)c(cc2)CC(=O)NOCCCN(CC)CC)C(=O)OCC	PC-id_23296734,SCHEMBL8160529	529.668	CPFCXWSCXPKEIJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155768
o1nc(OC(C)C)c2C(=CCCCc12)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1)C(=O)NC(C)(C)C	PC-id_11038726	529.67	AXXAXQRVZNZICQ-SANMLTNESA-N	00000000100000110111000000000010000000000000000000000000	31-01-155769
o1nc(OC(C)C)c2C(=CCCCc12)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1)C(=O)NC(C)(C)C	PC-id_11060471	529.67	AXXAXQRVZNZICQ-AREMUKBSSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155770
o1nc(OC(C)C)c2C(=CCCCc12)CC(N(Cc1ccccc1)C(=O)c1ccccc1)C(=O)NC(C)(C)C	PC-id_85376321	529.67	AXXAXQRVZNZICQ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155771
CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cn(C)nc3C)/C(=O)N2CC)sc2c1CCCCC2	ZINC22_20602392,PC-id_19576014,EMOLS-id_25983833,TIMTEC325696	529.675	NAXDJSLDXDEZPO-LDADJPATSA-N	00000011100000000101000000000010000000000000000000000000	31-01-155772
COC(=O)c1c(NC(=O)CSC2=N/C(=Cc3cnn(c3)C)/C(=O)N2CC(C)C)sc2c1CCCCC2	CoCoCo_6581392	529.675	NXBNUSWQVVVFQU-ZDLGFXPLSA-N	00000011100000000101000000000010000000000000000000000000	31-01-155773
COC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cnn(C)c3)/C(=O)N2CC(C)C)sc2c1CCCCC2	TIMTEC345508,CoCoCo_6581391,EMOLS-id_26685497,PC-id_17021076,ZINC22_13959567	529.675	NXBNUSWQVVVFQU-VCHYOVAHSA-N	00000011100000000101000000000010000000000000000000000000	31-01-155774
N1(CC(C)C)C(=O)C(=Cc2cnn(C)c2)N=C1SCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	MCULE-9933752749,PC-id_72178153	529.675	NXBNUSWQVVVFQU-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-155775
N1(CC)C(=O)C(=Cc2cn(nc2C)C)N=C1SCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_71834703,MCULE-5127554329	529.675	NAXDJSLDXDEZPO-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-155776
CN(CC(F)(F)F)c1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)Cc3cnc(C)s3)CCc2s1	SCHEMBL21042289,BindingDB-id_989551	529.685	OCNSHCHKTREKMB-IYARVYRRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155777
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)N(CC(F)(F)F)C	PC-id_138671865	529.685	OCNSHCHKTREKMB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155778
CCCCCC/C/1=C/c2csc(n2)[C@@H](C)[C@H](O)C[C@H](/C=C/C=CC[C@@H](OC1=O)OC(=O)/C=C/C=C/C)O	PC-id_102585134	529.688	JLPYYOWJPHDBOI-UIDAVDJESA-N	00000000100000000111000000000010000000000000000000000000	31-01-155779
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)cccc2)C(=O)OC	PC-id_3310890	529.695	ILJRVIFPPXQELV-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-155780
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(NS(=O)(=O)c2ccc(cc2)C)cc1)C(=O)OC	PC-id_20181231	529.695	UDXDHJIUKVOZOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155781
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(cccc2)C)cc1)C(=O)OC	PC-id_19678791	529.695	FXNRZEQCUQBHIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155782
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2	PC-id_44197110,SCHEMBL12057614	529.714	WGJSXPZIXRXSEE-JOCHJYFZSA-N	00000010100010110100000000000010000000000000000000000000	31-01-155783
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2)c1ccc(cc1)C	PC-id_74948455	529.714	WGJSXPZIXRXSEE-UHFFFAOYSA-N	00000010100010110100000000000010000000000000000000000000	31-01-155784
c1(NC(=O)C2C(C(=O)O)C3C(=C(C)C)C2CC3)sc2c(CCCCCCCCCCC2)c1C(=O)OCC	PC-id_3658528,SPECS-id_AK-968/41923748,EMOLS-id_4185105,MCULE-5410662653,TIMTEC534611	529.731	WUEWKIOEQWJMCU-UHFFFAOYSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155785
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	PC-id_98294354,ZINC22_102260023	529.731	WUEWKIOEQWJMCU-ZLSIYFNSSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155786
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2	PC-id_98339443,ZINC22_102658536	529.731	WUEWKIOEQWJMCU-KXTAGPOFSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155787
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	PC-id_99726641,ZINC22_169620043,CoCoCo_6814184	529.731	WUEWKIOEQWJMCU-WIVXBSKCSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155788
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_102260017,PC-id_98294352	529.731	WUEWKIOEQWJMCU-YENTXNKWSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155789
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_102658535,PC-id_98339442	529.731	WUEWKIOEQWJMCU-WIHVIGOGSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155790
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	ZINC22_169620044,CoCoCo_6814187,PC-id_99726642	529.731	WUEWKIOEQWJMCU-QKYMMTCKSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155791
CCOC(=O)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@@H]3C(=C(C)C)[C@H]2CC3)sc2c1CCCCCCCCCCC2	CoCoCo_6814181	529.731	WUEWKIOEQWJMCU-RRJCBXKSSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155792
CCOC(=O)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C(=C(C)C)[C@@H]2CC3)sc2c1CCCCCCCCCCC2	CoCoCo_6814183	529.731	WUEWKIOEQWJMCU-ZNDGRNAPSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155793
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C(=C(C)C)[C@@H]2CC3)sc2c1CCCCCCCCCCC2	CoCoCo_6814186	529.731	WUEWKIOEQWJMCU-PEARBKPGSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155794
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@@H]3C(=C(C)C)[C@H]2CC3)sc2c1CCCCCCCCCCC2	CoCoCo_6814188	529.731	WUEWKIOEQWJMCU-HWIPXOPOSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155795
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCCCCCCCC2	PC-id_40737811,ZINC22_8455315,CoCoCo_6814182	529.731	WUEWKIOEQWJMCU-JMLJLYKJSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155796
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCCCCCCCC2	PC-id_40737813,ZINC22_8455316,CoCoCo_6814185	529.731	WUEWKIOEQWJMCU-JQOLTRQRSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155797
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCCCCCCCC2	PC-id_98339441,ZINC22_102658531	529.731	WUEWKIOEQWJMCU-MHOPESGUSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155798
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCCCCCCCC2	ZINC22_102658527,PC-id_98339440	529.731	WUEWKIOEQWJMCU-NBMBROAQSA-N	00000010100010000100000000000110000000000000000000000000	31-01-155799
[Si](OC1CCC(=Nc2n(cnc12)CC=C)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_72651525	529.745	QQJDDFRPYWCJFX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155800
[Si](O[C@@H]1CCC(=Nc2n(cnc12)CC=C)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_60113090	529.745	QQJDDFRPYWCJFX-AREMUKBSSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155801
Cc1c2-c(c(cc2C=Cc2c3-c(cc(ccc3C)C(C)C)cc2)C=CC2=[N+](C(CC2)(C)C)[O-])cc(cc1)C(C)C	PC-id_88955529	529.754	BBBCJFYAJQEBDS-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-155802
CC(c1ccc(c2-c(c1)c(/C=C/C1=[N+]([O-])C(CC1)(C)C)cc2/C=C/c1ccc2-c1c(C)ccc(c2)C(C)C)C)C	SCHEMBL12743828	529.754	BBBCJFYAJQEBDS-ZCXPIULRSA-N	00000011100000000110000000000010000000000000000000000000	31-01-155803
N=CC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)C=NC(=O)Cc1cnc(s1)C)(C)C	PC-id_145451468	529.761	ZNGAJPDRCYCAJG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155804
C/C=C(C=NCC1(CN(C1)CC1CCN(CC1)CCCCC1CCCC1)CC#N)/C1=c2cc[nH]c2=NCC=N1	PC-id_134219848	529.762	CXSVKKFTVFKCFP-MOWBNXOHSA-N	00001010100010000111000000000010000000000000000000000000	31-01-155805
N#CCC1(C/N=CC(=C/C)C2=c3cc[nH]c3=NCC=N2)CN(C1)CC1CCN(CC1)CCCCC1CCCC1	SCHEMBL19826323	529.762	CXSVKKFTVFKCFP-WBGXNHCISA-N	00001010100010000111000000000010000000000000000000000000	31-01-155806
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCNC(C2)C(=O)O)cc(c1)C(F)(F)F	PC-id_140700468	529.897	ZQFVWECZIMAWPZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155807
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCNCC2C(=O)O)cc(c1)C(F)(F)F	PC-id_140700492	529.897	GLSFNVHGDCZSHC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155808
Clc1sc(c2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)cc1	PC-id_4991474	530.037	LUFHJWIIHOKUMH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-155809
Clc1c(cc(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc1C)C	PC-id_19634582	530.105	KIDQWODIMNNGAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155810
Clc1c(cc(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc1)C	PC-id_17307192	530.105	MCMNRPNUFUJVBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155811
Clc1cc(c(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc1)C	PC-id_20122316	530.105	GQRNPCAFHVQCKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155812
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)C)cc1C)C	PC-id_17263582	530.105	SOODQTWRGVKJPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155813
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc1C)C	PC-id_19634461	530.105	VAVQLOLTTAFEOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155814
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)C)cc1)C	PC-id_17302486	530.105	BQYRDCICAMYKGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155815
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC)cc1)C	PC-id_19634262	530.105	YJIKRYAAOGILJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155816
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)C)cc1)C	PC-id_19641042	530.105	LETKHUPWJDJJGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155817
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC)cc1)C	PC-id_20121996	530.105	GTQDJELXDYXGKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155818
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc1)C	PC-id_20123228	530.105	AFHASAZMPVXLOI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155819
Clc1cc(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)ccc1	PC-id_17302588	530.105	PUFSMBHGAABQOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155820
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc(cc1)C	PC-id_19635217	530.105	MEVZVULYGLRPJM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155821
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cccc1	PC-id_19638651	530.105	FQJDPKBNKMOADL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155822
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC)cc(cc1)C	PC-id_17304155	530.105	VCIPMJZKOBCORK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155823
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)C)cc(cc1)C	PC-id_19635096	530.105	RKCHWPSLDFOGPP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155824
CN1C(=CC=C(C1=O)F)C(=O)NC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F	PC-id_148823336	530.197	OSFGBHRMZGLGDA-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-155825
CC1=NN=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OC(C)C(F)(F)F	PC-id_161129417	530.2	HWYXDKRTTFHOSJ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155826
CC1=NN=C(S1)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F)F	PC-id_161922848	530.2	YRDPLCRAXXKYHZ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155827
C1CN(Cc2c(c(nn2C1)C(=O)O)Br)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16093882,PC-id_86345671	530.216	BYZVFAQVLDFNII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155828
CC1=NC=C(C=N1)C=CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OC5CC(C5)(F)F	PC-id_160340293	530.253	BCGYGNYAJCAWLS-UHFFFAOYSA-N	00001000100010100101000000000010000000000000000000000000	31-01-155829
C(=O)(NC(C(F)(F)F)(Nc1c(C#N)c2CCCCCc2s1)C(F)(F)F)c1ccc(Cl)cc1Cl	TIMTEC254188,PC-id_3522583,EMOLS-id_7699348,MCULE-7149904928,ZINC22_98042952	530.314	JZGCJHHZMSHDCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155830
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC(=O)N)Nc1c(cc(cc1)I)F)C	PC-id_91408893	530.355	PSVJWMYKIGKBCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155831
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCCN)Nc1c(cc(cc1)I)F)C	PC-id_91013190	530.398	AUGQQCSTUPMFQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155832
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NCCNC)cc1	PC-id_69072407	530.398	XLFGUIBZZLKJFO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155833
Brc1ccc(cc1)C(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)OC(=O)c1ccccc1	PC-id_102526292	530.452	LAJJVENLSGPADV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-155834
CCCC(CC)C1=C(C=c2cc(n(c2=CC1)SI)C(=O)/C(=C/N(C)C)/CCC)F	SCHEMBL20084144,PC-id_134448492	530.481	SXZODPRBDNMVPM-BMRADRMJSA-N	00000000100000000110000000000010000000000000000000000000	31-01-155835
Brc1ccc(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)cc1	PC-id_19729384	530.504	VGXBUWWWXNRZSO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155836
O=C(N1CCCn2c(C1)cc(n2)CN1C2CCCC1CC2)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700489	530.506	DKZKKPYGIACSRD-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-155837
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)c(F)c(F)c(F)c2F)cc1)C(=O)OC	PC-id_20171300	530.534	CRLWGXPWBFLHFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155838
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC)c(OCC(=O)N)cc1)C(=O)OCC	PC-id_4521828	530.593	SITKJRWOJSVJCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155839
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC)c(OCC(=O)N)cc1)C(=O)OCC	PC-id_9675384	530.593	SITKJRWOJSVJCH-UVHMKAGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155840
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCC(=O)N)cc1)C)C(=O)OCC	PC-id_4208813	530.593	WODOVZVHVLWDFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155841
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCC(=O)N)cc1)C)C(=O)OCC	PC-id_9653233	530.593	WODOVZVHVLWDFA-CCVNUDIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155842
O1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)CCCCn2nnc(c2)C1)CC(C)C)CO	PC-id_71545617	530.617	HPLDQUCVUIBELV-VJBWXMMDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155843
O1CC(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CCCCn2nnc(c2)C1)CC(C)C)CO	PC-id_78106290	530.617	HPLDQUCVUIBELV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155844
O=C(Cc1scc(n1)C)N=CC1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451575	530.627	QJFFSODNKKOXLZ-ZYMOGRSISA-N	00000000100010000101000000000010000000000000000000000000	31-01-155845
O=C(N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)/C=C/c1cnc(s1)C	PC-id_138671950,SCHEMBL21042377	530.627	IDMIAYAIMPBTOQ-XPQDNOAISA-N	00000000100010000101000000000010000000000000000000000000	31-01-155846
O=C(N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)/C=C/c1csc(n1)C	PC-id_138671959,SCHEMBL21042386	530.627	GGJJRKKJKBTBOT-NBQNJAIASA-N	00000000100010000101000000000010000000000000000000000000	31-01-155847
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)cn(n2)CCCC(F)(F)F	PC-id_138671129	530.628	SJMLMYAEJQAXCU-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-155848
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)cnn2CCCC(F)(F)F	PC-id_138671180	530.628	GNDIXQISXWJMHM-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-155849
Cn1nc2c(c1)c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)cn(n2)CCCC(F)(F)F	SCHEMBL21041498	530.628	SJMLMYAEJQAXCU-AQYVVDRMSA-N	00000000100010100101000001000010000000000000000000000000	31-01-155850
Cn1nc2c(c1)c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)cnn2CCCC(F)(F)F	SCHEMBL21041551	530.628	GNDIXQISXWJMHM-AQYVVDRMSA-N	00000000100010100101000001000010000000000000000000000000	31-01-155851
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(cc2)/C(=N/O)/CCN(C3=O)Cc2ccccc2)cc1	PC-id_10649899	530.633	FXZYCYKBHDFTEJ-PJJLUWSFSA-N	00000000100010110100000000000010000000000000000000000000	31-01-155852
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(cc2)C(=NO)CCN(C3=O)Cc2ccccc2)cc1	SCHEMBL9039858,PC-id_85219339	530.633	FXZYCYKBHDFTEJ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-155853
O/N=C
/CCN(C(=O)c2c1ccn2CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)Cc1ccccc1	PC-id_100955391	530.633	FXZYCYKBHDFTEJ-MDVFONAFSA-N	00000000100010110100000000000010000000000000000000000000	31-01-155854
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)CC=C)C(=O)OC	PC-id_19633735	530.635	MGVFVMUHYBCLEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155855
O=C(NC(C(C)C)CNC(C(=O)NC1Cc2nnc(s2)CNC(=O)C1=O)C(C)C)OCc1ccccc1	PC-id_138731032,SCHEMBL21110190	530.64	BOCUIDHYPKBQAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155856
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/C(=O)O)ccc1)CC)C(=O)OCC	PC-id_18898158	530.656	KQWGHMPKWPEQKW-BUHFOSPRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155857
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=CC(=O)O)ccc1)CC)C(=O)OCC	PC-id_73470129	530.656	KQWGHMPKWPEQKW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155858
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/C(=O)O)ccc1)CC)C(=O)OC	PC-id_18898159	530.656	NFRNLDGJXWNEKH-BUHFOSPRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155859
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=CC(=O)O)ccc1)CC)C(=O)OC	PC-id_73470130	530.656	NFRNLDGJXWNEKH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155860
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/C(=O)O)ccc1)C)C(=O)OCC	PC-id_18898094	530.656	DPQIHDCNXLMPFS-BUHFOSPRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155861
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=CC(=O)O)ccc1)C)C(=O)OCC	PC-id_73470065	530.656	DPQIHDCNXLMPFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155862
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1c(occ1)C)C(=O)OC	PC-id_19725964	530.659	ZMFKAOGWHFKWEH-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-155863
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1occc1)C(=O)OCC	PC-id_19724158	530.659	BUSOBXGBCNTYDS-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-155864
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(OC)cc1)C(=O)OC	PC-id_19633349	530.659	NCGWRGBOXHRZNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155865
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC)C(=O)OC	PC-id_19730985	530.659	BESXNGKINQZOIS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155866
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)C)C(=O)OCC	PC-id_19730954	530.659	CSLRBNUYPOZNCX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155867
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)C)C(=O)OC	PC-id_19640098	530.659	XXLITKURSIVUDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155868
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)C)C(=O)OCC	PC-id_19633327	530.659	BBMOLJHFDZBXRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155869
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1occc1)C(=O)OC	PC-id_19724066	530.659	RCLYBFURJOFRIE-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-155870
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)C)C(=O)OC	PC-id_19730907	530.659	CXFBFVGKHXPUDN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155871
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)C)C(=O)OC	PC-id_19633284	530.659	DVINTBQJPRATBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155872
CC1CN(CC[C@H]2CC[C@@H](CC2)NC(=O)Cc2cnc(C)s2)CCc2sc(OCC(F)(F)F)nc12	BindingDB-id_989432,SCHEMBL21042337	530.67	UVAUEIWFNXYKDF-DNLFPKPLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155873
Cc1ncc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)s1	BindingDB-id_989547,SCHEMBL21041819	530.67	UMYKTTKPSRPJRN-SMQSCJQKSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155874
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(C(C1)C)nc(s2)OCC(F)(F)F	PC-id_138671912	530.67	UVAUEIWFNXYKDF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155875
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(C(C1)F)nc(s2)OCC(F)(F)C	PC-id_138671963	530.67	CAYLISSOZRHHAD-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155876
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCCC(F)(F)F	PC-id_138671156	530.67	STFKQZJSJCTHRM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155877
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC(C(F)(F)F)C	PC-id_138671906	530.67	VMJGANDOCVSGDY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155878
O=C(Cc1cnc(s1)C)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	PC-id_138671436	530.67	UMYKTTKPSRPJRN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155879
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(C(C1)F)nc(s2)OCC(F)(F)C	SCHEMBL21042390	530.67	CAYLISSOZRHHAD-JHNFVTJISA-N	00000000100010000101000000000010000000000000000000000000	31-01-155880
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCCC(F)(F)F	SCHEMBL21041527	530.67	STFKQZJSJCTHRM-IYARVYRRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155881
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OC(C(F)(F)F)C	SCHEMBL21042331	530.67	VMJGANDOCVSGDY-DNLFPKPLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155882
O=C(NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)CCc1cnc(s1)C	PC-id_138670761	530.67	JXTUHVLDKWGNPE-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155883
O=C(N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)CCc1cnc(s1)C	SCHEMBL21041108	530.67	JXTUHVLDKWGNPE-IYARVYRRSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155884
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NCCCO)cc1	PC-id_57401992	531.383	JMWYXCOECNESCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155956
N#Cc1c(NC(=S)NC(=O)/C=C/c2ccc(cc2)S(=O)(=O)N2CCOCC2)sc2c1CCCCC2	CoCoCo_3784477,PC-id_2408870	530.683	MBTOXMGCWDPOIL-DHZHZOJOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155885
N#Cc1c(NC(=S)NC(=O)/C=Cc2ccc(cc2)S(=O)(=O)N2CCOCC2)sc2c1CCCCC2	CoCoCo_3784478	530.683	MBTOXMGCWDPOIL-FLIBITNWSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155886
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc(ccc2)C)nn1)C(=O)OCC	PC-id_23994268	530.683	CEHBGWCUEDEPGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155887
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2ccc(cc2)C)nn1)C(=O)OCC	PC-id_24078590	530.683	JBZVAVQWOQYONO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155888
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2c(cccc2)C)nn1)C(=O)OCC	PC-id_24079630	530.683	GMOQIIQPKCBKKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155889
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)Cc2ccccc2)nn1)C(=O)OCC	PC-id_23965544	530.683	VRNYOBDTIDCGGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155890
S(=O)(=O)(N1CCOCC1)c1ccc(cc1)C=CC(=O)NC(=S)Nc1sc2CCCCCc2c1C#N	PC-id_5219474	530.683	MBTOXMGCWDPOIL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155891
CN1CCCn2c(C1)cc(n2)Nc1ncnc(c1)c1ccc(c(c1)C)CNC(=O)c1cnc(s1)C(C)(C)C	SCHEMBL16794158,PC-id_118139510	530.688	BXEWZDUJCFZGFI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155892
c1(NC(=O)CCCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)sc2c(CCCCC2)c1C(=O)N	CoCoCo_6815431,EMOLS-id_4185473,MCULE-2320381020,PC-id_4417060,ZINC22_20160680,TIMTEC452109	530.703	SMAORGFZRZYURZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-155893
s1c2c(CCCCCC2)c(c1NC(=O)CCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)N)C(=O)N	PC-id_4138117	530.703	UBKRKZCUQLMJNW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-155894
C/C=CC=C(CN1CCC(CC1)Nc1nc2c(n1Cc1nc(C)ccc1N=O)C=C(CO)CCC(C2)C)/C=C	PC-id_143063157	530.704	CQDLTPOTGBXHEY-XJOBOHFZSA-N	00000000100010101111000000000010000000000000000000000000	31-01-155895
CC(CN1COCN(C(=O)c2c1nc([nH]2)CCN1CCN(CC1)C(C12C=CC=CC1C2)c1ccccc1)C)C	PC-id_142900172	530.704	KILISVASHMJEQO-UHFFFAOYSA-N	00100000100011110101010000000010000000000000000000000000	31-01-155896
CCCCCCCn1nc(c2c1C(CCCC2)Cc1ccc(cc1)F)C(=O)N1CCN(CC1)c1ccccc1	PC-id_71067609,SCHEMBL14089553	530.719	YFETWWADDJRIMG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-155897
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC=C)C(=O)OC	PC-id_19721722	530.726	BTIPOAJUTUPXOX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-155898
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC=C)C(=O)OC	PC-id_19719499	530.726	IUCXBOVMOGWEIY-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-155899
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC=C)C(=O)OC	PC-id_19720271	530.726	KWJHLRCNDNQVDB-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-155900
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC=C)C(=O)OCC	PC-id_19718835	530.726	CTMPEOSKNFQIIA-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-155901
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC=C)C(=O)OCC	PC-id_19721135	530.726	NPHSAJZDRZXGFT-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-155902
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CC)CC=C)C(=O)OC	PC-id_19718735	530.726	OWPWESGHVXJTNK-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-155903
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(c(sc1)C)C)CC=C)C(=O)OC	PC-id_19721033	530.726	SOHIAVZLDQQQAL-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-155904
C=CCn1cnc2c1N=CN(C[C@H]2O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C	PC-id_59748387,SCHEMBL14105632	530.733	SAITUFHNBHQOTA-RUZDIDTESA-N	00000000100000110111000000000010000000000000000000000000	31-01-155905
[Si](OC1CN(C=Nc2n(cnc12)CC=C)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_72373815	530.733	SAITUFHNBHQOTA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155906
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CC(C)(C)C)ccc1)CC)C(=O)OCC	PC-id_18911682	530.742	UYPOJCDRBFLQQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155907
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCCC)ccc1)CC)C(=O)OCC	PC-id_18909704	530.742	ODHBHJCBIZCLAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155908
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CC(C)(C)C)ccc1)CC)C(=O)OC	PC-id_18911683	530.742	BRBBFUSVTWDKTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155909
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CC(C)(C)C)ccc1)C)C(=O)OCC	PC-id_18911618	530.742	MOGVJICQKHZDMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155910
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)CC=C)C(=O)OCC	PC-id_20126074	530.746	SXDILMBDOBPUTO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155911
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)CCC1CCCCC1)CC=C)C(=O)OC	PC-id_20125992	530.746	ZZUGEJXAHPVJQT-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155912
Brc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2c(Cl)cccc2)c1	PC-id_19523709	530.769	FTWSALKHTMWIST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155913
COC=N/C(=C/C=N/N=C(N(C)C)/SCCCN(CCC1C=Cc2c(C=C1)nc(s2)CC)CCC)/C	PC-id_143148152	530.792	NHJHCIRJYGOXBG-OWBDNSGSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-155914
Cl/C(=C/CC(Br)(C)C)/C(=C)c1oc2c(n1)C=C(CC#CC2)NC(=O)c1cccc(c1)[N+](=O)[O-]	PC-id_144079204	530.798	FXHJPRNLOBFKOW-VLFMEOHLSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155915
CCCNC(=N)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1Cl)I	SCHEMBL4507878,PC-id_69071994	530.853	KOLIJVJZZPVXFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155916
Clc1ccc(cc1)C(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)OC(=O)c1ccccc1[N+](=O)[O-]	PC-id_102526298	530.999	VCESHDVITKFWIQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-155917
Clc1ccc(cc1)C(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)OC(=O)c1ccc(cc1)[N+](=O)[O-]	PC-id_102526300	530.999	JNOZAHZMDLGJLK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-155918
COC(=O)c1cc(c2-c1ccc(cc2)C(CNC(=O)C)C)CCCCNS(=O)(=O)c1ccc(cc1)Cl	PC-id_139605605	531.063	ZVKUPLBRUKOJIP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-155919
ClCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_67680083,SCHEMBL8741346	531.065	VJFAQTLSAPRCCJ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-155920
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OC[C@@H](NS2(=O)=O)[C@@](C=C)(C(F)(F)F)O	PC-id_154682066	531.07	XGKNLUVXXYSXFK-DYVFJYSZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155921
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OC[C@@H](NS2(=O)=O)[C@](C=C)(C(F)(F)F)O	PC-id_154682077	531.07	XGKNLUVXXYSXFK-CXAGYDPISA-N	00000000100000110101000000000010000000000000000000000000	31-01-155922
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OC[C@@H](NS2(=O)=O)C(C=C)(C(F)(F)F)O	PC-id_155061964	531.07	XGKNLUVXXYSXFK-FWJOYPJLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155923
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OC[C@H](NS2(=O)=O)C(C=C)(C(F)(F)F)O	PC-id_155257973	531.07	XGKNLUVXXYSXFK-CWQZNGJJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155924
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OC[C@H](NS2(=O)=O)[C@](C=C)(C(F)(F)F)O	PC-id_155258003	531.07	XGKNLUVXXYSXFK-SUMWQHHRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155925
CN1C=C2C(=C1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)OCC(NS2(=O)=O)C(C=C)(C(F)(F)F)O	PC-id_154682053	531.07	XGKNLUVXXYSXFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155926
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cccc1	PC-id_19728344	531.09	NCZLZUWOPNONJB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155927
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)cccc1	PC-id_19728277	531.09	LQBLFGLVJNJMEL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155928
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)ccc1	PC-id_17301118	531.09	BXCXARVOASMJSO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155929
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)ccc1	PC-id_19728580	531.09	FBIVIHXTJLIWKV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155930
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_19728792	531.09	AZNCFMBGDPGNMV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155931
Clc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_19728752	531.09	IDUZOUNMUHWNCN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155932
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_20124261	531.09	AIRGQJWNJPSNJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155933
Clc1sc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_44005710	531.108	GTSPQHLIMMOMEW-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-155934
Clc1sc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_44027734	531.108	JSQAVQUFINBJMZ-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-155935
Clc1sc(S(=O)(=O)N2C(CCCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_44028893	531.108	ZNXTXACBKYTSFL-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-155936
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CNS(=O)(=O)C)cc1	PC-id_68590766,SCHEMBL3309356	531.111	MSEOKZNIVJWEPZ-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155937
Clc1sc(C(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)C(S(=O)(=O)C)N)cc1	PC-id_68590647,SCHEMBL3309043	531.111	ACQUDHFTQMUEQO-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-155938
Clc1sc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CNS(=O)(=O)C)cc1	PC-id_59285238,SCHEMBL3309047	531.111	MSEOKZNIVJWEPZ-CABCVRRESA-N	00000010100100000100000000000010000000000000000000000000	31-01-155939
CC1=CC2=C(S1)C(=O)N(C(C(=O)N2)CC3=CC=CC=N3)CC4=CC(=C(C=C4)C(=O)NC5=CC=CC=N5)Cl	PC-id_164916582	531.113	OYLNHPIVMVDZPL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-155940
Clc1ccc(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2C)C)cc1	PC-id_19677103	531.133	IBPJOLVXKWWCPT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155941
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2C)C)cccc1	PC-id_19677919	531.133	DUOYKXITMOZJBD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155942
Clc1ccc(Sc2c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cccc2)cc1	PC-id_19677509	531.153	CGEYEFPSMZZOQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155943
CC1=NN=C(S1)CC(=O)NC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OC(C)C(F)(F)F	PC-id_148508865	531.195	MMCFMTIBVMIETA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155944
CC1=NN=C(S1)CC(=O)NC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(C)(F)F)F	PC-id_149393798	531.195	YOAZLAJFKSOXOC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155945
Cc1ccc(cc1)/C(=C/NS(=O)(=O)c1ccc(cc1)C)/c1cc(c2-c1c(ccc(c2)Cc1ccccc1)C)C	PC-id_164032511	531.223	VJERBPMNOROKEJ-XSVYLIDLSA-N	00000010100000110110000000000010000000000000000000000000	31-01-155946
CC1=NC(=NN1C)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F	PC-id_162242383	531.229	ZWWIPMBVVFWJFA-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155947
CN1N=CC(=N1)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCCC(F)(F)F)F	PC-id_160299296	531.229	PSVKIDJLFYEZRS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-155948
CC(C(F)F)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)NC(=O)C4=CC=CC5=NN(C=C54)C	PC-id_146885118	531.248	SVQMUKSPRVEFME-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-155949
CC[C@H](C)[C@H]1C(=O)N[C@H](C2=NC(=NN2CCN(CCCC(=O)N1)C(=O)C3=CC=CC=N3)C)CC4=CC=CC=C4	PC-id_165418198	531.296	ISLDOSILWWFDGL-RJWMVNQGSA-N	00000000100000111101000000000010000000000000000000000000	31-01-155950
Ic1ccc(c(c1)F)NC(C(=O)N)OC(=O)c1csc2c1CC(C)(C)CNC2=O	SCHEMBL4257631,PC-id_68977299	531.34	YZGSGLVPCJDIKJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155951
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NCC(=O)O)cc1	PC-id_69069148,SCHEMBL4501703	531.34	YMVBMSNAUIKRTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155952
C1CCN(c2c(C1)sc(c2)Cl)C(=O)c1c(cc(cc1)NC(=O)c1c(cc(cc1)C(F)(F)F)F)Cl	SCHEMBL6988420,PC-id_88071868	531.35	VLPSJUWMNATKLS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155953
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCOC)Nc1c(cc(cc1)I)F)C	PC-id_91402003	531.383	RJHKURMBRPRTLJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155954
CC(CNC(=O)c1c(sc2c1CC(CNC2=O)(C)C)Nc1c(cc(cc1)I)F)O	PC-id_90884335	531.383	VUDNVZWVFSSVQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155955
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N(CCO)C)cc1	SCHEMBL4517912,PC-id_69076112	531.383	ZASKRDHQNOKFHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155957
Fc1cc(Br)c2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCCN1CCOCC1)/C(=O)N2	PC-id_145511783	531.417	DCWLTYLUBSVKEQ-JXAWBTAJSA-N	00000010100010100101000000001010000000000000000000000000	31-01-155958
c1(NC(=O)c2ccc(COc3ccc(cc3Cl)Cl)o2)sc2c(CCCCCCCCCC2)c1C#N	MCULE-9356368038,CoCoCo_6927203,PC-id_1767295,SPECS-id_AK-968/41923953,EMOLS-id_5121550,ZINC22_2112399,TIMTEC37230	531.494	AGDWVENWSBXPFD-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-155959
c1(NC(=O)c2ccc(COc3c(Cl)ccc(Cl)c3)o2)sc2c(CCCCCCCCCC2)c1C#N	SPECS-id_AK-968/41172053,EMOLS-id_5121207,ZINC22_2764992,CoCoCo_6926538,PC-id_5076589,MCULE-3329476129,TIMTEC560935	531.494	XXOZTWUDCDVFBX-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-155960
O=C(N1CCCn2c(C1)cc(n2)NC1CC2CCC(C1)N2)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700389	531.494	RESAICBQQFACTC-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-155961
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCn1cncc1)C	SCHEMBL19643571	531.527	JFHJWTTZBHNCFP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155962
CCN(C(=O)Cc1ccc2-c(c(c(c2OC(=O)OCC)N)OC(=O)OCC)cc1)OCC(=O)N1CCCC1	PC-id_88125378,SCHEMBL7304048	531.555	RBUDMFRDFXFSHE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-155963
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1ccc(OCc2cc(OCC)c(OCC)cc2)cc1	PC-id_19523767	531.567	IUGVBZRXPSVTGY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155964
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)C(=O)OCC	PC-id_19678277	531.568	LWWQVAGTSNWTRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155965
CC(C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332288	531.603	WPOSQYJRVVOHTL-QFIPXVFZSA-N	00000010100000110101000000001010000000000000000000000000	31-01-155966
CC(C[C@H](C(=O)NCc1ccc2c(c1)OCO2)NC(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)C	PC-id_93332289	531.603	WPOSQYJRVVOHTL-JOCHJYFZSA-N	00000010100000110101000000001010000000000000000000000000	31-01-155967
CCN(CCC(=O)NCc1ccc2OCOc2c1)C(=O)c1cc2C(=O)N(Cc3cccc(C)c3)CCCn2n1	MCULE-5224267748,EMOLS-id_25388500,PC-id_46050027	531.603	GSXHQWLSYWQFKH-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-155968
O=C1N(CCCn2nc(cc12)C(=O)NC(CC(C)C)C(=O)NCc1cc2OCOc2cc1)Cc1ccccc1	PC-id_46049905	531.603	WPOSQYJRVVOHTL-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-155969
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCc1cc2OCOc2cc1)CC)Cc1ccc(cc1)C	PC-id_42855086	531.603	CBUSRXLFLKJZTA-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-155970
O=C1N(CCCn2nc(cc12)C(=O)N(CCC(=O)NCc1cc2OCOc2cc1)CC)Cc1c(cccc1)C	PC-id_42855137	531.603	RLGKLRTZLXNDHK-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-155971
CNCCN(C(=O)/C/1=C(C)/N=CNn2c(C(=O)N/N=C1)ccc2)CCS/C=C(/c1ccc(cc1)C#N)N=C	PC-id_145287450	531.633	VPIWUMBKCJFJDN-RBIUJSNTSA-N	00000000100000110111000000000010000000000000000000000000	31-01-155972
O/N=C/1CCN(C(=O)c2c1ccn2CCCC[N@@H+]1CC[C@H](CC1)C(=O)c1ccc(cc1)F)Cc1ccccc1	GLL_PC-id_10649899	531.641	FXZYCYKBHDFTEJ-PJJLUWSFSA-O	00000000100010110100000000000010000000000000000000000000	31-01-155973
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC)C#N	PC-id_17305846	531.641	XCQBWOGBXNJGOK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-155974
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccc(OC)cc1)CC)C(=O)OCC	PC-id_53293613	531.644	BNIWMDKIFYLKPP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155975
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(C(C)(C)C)cc1)C(=O)OC	PC-id_4186973	531.644	BRJAGVYLXWFFAL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155976
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[n+](noc1[O-])c1ccc(OC)cc1)C(=O)OCC	PC-id_53294209	531.644	RXFIHURYLHJJTJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155977
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccc(OC)cc1)CC)C(=O)OC	PC-id_53293859	531.644	XIGVTLWXLXCNEK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155978
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccc(OC)cc1)C)C(=O)OCC	PC-id_53292515	531.644	MUIUIGOQNSISDR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-155979
C[C@H](Cc1ccc(c(c1C(=O)C(C(C)C)N)C(=O)N(N1C(=O)CCC(c2c1cc[nH]2)N)C)c1ccccc1)O	SCHEMBL8619844,PC-id_67642812	531.646	OCRBLPWYPDGEQJ-HKUGUXRHSA-N	00000000100000110100100000000010000000000000000000000000	31-01-155980
CCOC(=O)C1CCN(CC1)Cc1nc2=CCC=CC=c2n1Cc1nc2c(n1C(=O)OC(C)(C)C)cccc2	PC-id_142185554	531.646	CKXILWLOJOXAFP-UHFFFAOYSA-N	00000000100010100111000001000010000000000000000000000000	31-01-155981
O=C1N(N(C(=O)c2c(c(CC(O)C)ccc2c2ccccc2)C(=O)C(N)C(C)C)C)c2c([nH]cc2)C(N)CC1	PC-id_77328572	531.646	OCRBLPWYPDGEQJ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-155982
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4260430,EMOLS-id_11051676,MCULE-4534368093	531.648	OKLUAJAWRPHINR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-155983
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccco3)n2C)sc2c1CCCCC2	CoCoCo_2662286,ZINC22_98049593,PC-id_97991722	531.648	OKLUAJAWRPHINR-AWEZNQCLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-155984
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccco3)n2C)sc2c1CCCCC2	PC-id_97991721,ZINC22_98049592,CoCoCo_2662285	531.648	OKLUAJAWRPHINR-CQSZACIVSA-N	00000000101000000101000000000010000000000000000000000000	31-01-155985
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1ccccc1)C#N)C(=O)OC	PC-id_23746201	531.649	UQYOMCSMEDERQP-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-155986
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	PC-id_138671057	531.661	CUXOGXNAUDENPZ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-155987
Cn1nc2c(c1)c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	SCHEMBL21041421	531.661	CUXOGXNAUDENPZ-WGSAOQKQSA-N	00000000100010100101000001000010000000000000000000000000	31-01-155988
CCc1n(CC[C@H](C[C@H](CC(=O)[O-])O)O)c2c(c1C(=O)NCc1ccc(cc1)c1ccccc1)CCCCC2	GD-id_ZINC49877768	531.662	QAHXUYBKXUMQHT-CLJLJLNGSA-M	00000000100000110100100000000010000000000000000000000000	31-01-155989
C=S(=O)(c1ccc(cc1)F)N1CCCC1C(=O)Nc1c(c2c(s1)CCCCC2)C(=O)N1CCCCC1	PC-id_88872244	531.706	CYJJGYHKRGWYGA-UHFFFAOYSA-N	00000010100010110100000000000010000000000000000000000000	31-01-155990
Fc1ccc(cc1)S(=O)(=C)N1CCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2	SCHEMBL12057641	531.706	CYJJGYHKRGWYGA-FKZKSYQESA-N	00000010100010110100000000000010000000000000000000000000	31-01-155991
s1c2c(CCCCC2)c(c1NC(=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)OCC	PC-id_22198339	531.709	MINQQHDKBVQWRT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155992
s1c2c(CCCCCC2)c(c1NC(=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_22198284	531.709	DYBTWFJFUHOXPC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-155993
c12c(C)c(sc1nc(SCC(=O)Nc1sc3c(CCCCC3)c1C(=O)OCC)n(CC=C)c2=O)C	EMOLS-id_684434,TIMTEC237409,ZINC22_1801715,MCULE-6687840602,PC-id_1586831,CoCoCo_1817209	531.71	JGVOGBJXPBZNFC-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-155994
Cc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c2ccccc2n1Cc1ccccc1	ZINC22_408973354	531.71	YOBAHBQURAQUPN-FADJLKOXSA-N	00000000100000110100000001100010000000000000000000000000	31-01-155995
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc(c2)C)C(=O)OCC	PC-id_3624885	531.71	JZHQLMOVVYVNAP-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-155996
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc(c2)C)C(=O)OC	PC-id_4074354	531.71	AQGIKQQGTHITGT-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-155997
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)cccc2)C(=O)OCC	PC-id_4380319	531.71	STVGKXXOMBEWIV-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-155998
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(C(=O)OCCN(CC)CC)cc1)C(=O)OCC	PC-id_20167653	531.73	PTIUDTVXJOADQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-155999
[Na+].S(=O)(=O)(NC(=O)CCCc1c2-c(c(S(=O)(=O)[O-])c1)ccc(cc2)C(C)C)c1ccc(cc1)Cl	CHEMBL297989	532.005	DBZOLKDGRLNHOY-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-156000
Clc1ccc(Oc2cc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cc([N+](=O)[O-])c2)cc1	PC-id_20171118	532.032	POIAYLZEKZXMHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156001
CCN1N[C@@H](CNc2c(C1=O)n(Cc1ccc(c(c1)Cl)O)c(n2)OCc1ccccc1)Cc1ccccc1	PC-id_142218534	532.033	PUOMKXFGSSGRMY-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156002
[Na+].S(=O)(=O)(c1c2-c(c(c1)CCCCCS(=O)(=O)Nc1ccc(Cl)cc1)ccc(cc2)C(C)C)[O-]	CHEMBL46338	532.048	PHRQMESSDBNKLU-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-156003
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)ccc1F	PC-id_21164805	532.053	PSLANJHGADASST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156004
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)ccc(F)c1	PC-id_17305482	532.053	SXHSDLBWXDNVHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156005
COc1cc(ccc1NC(=O)c1ccccc1Cl)C(=O)N1CCCN(c2c1ccs2)Cc1ccccc1	PC-id_139709968	532.053	BDKBZEVDOIMJCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156006
c1(C(=O)Nc2sc3c(CCCCCCCCCC3)c2C(=O)OC(C)C)c(Cl)c2c(cc(cc2)C)s1	TIMTEC63365,PC-id_4085937,SPECS-id_AK-968/41927429,MCULE-6674746677,EMOLS-id_5129793,ZINC22_8720915,CoCoCo_6597935	532.157	AUQNIFZRSOYZEO-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-156007
Brc1c(NC(=O)COC(=O)c2sc3CCCCCc3c2)c(Br)cc([N+](=O)[O-])c1	PC-id_16509502	532.203	IPVLMBXRDGDIEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156008
CC1=CN=C(O1)CC(=O)NC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCCC(F)(F)F)F	PC-id_148711047	532.213	NXFWREBNGARSTI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156009
CC(COC1=NC2=C(S1)CCN(CC2)CC[C@H]3CC[C@@H](CO3)CC(=O)C4=CC5=C(C=C4)C=NN5C)(F)F	PC-id_160520414	532.232	QUETZDXWJIRPDV-WIYYLYMNSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156010
CC(COC1=NC2=C(S1)CCN(CC2)CC[C@H]3CC[C@@H](CO3)CC(=O)C4=CC=CC5=NN(C=C54)C)(F)F	PC-id_162010941	532.232	YTLPSYVEJNLLPM-RTBURBONSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156011
CC1=C2C(=NN1)C(=CN(CC2(C)C)C(=O)C3=CC(=C(C(=C3)F)OCCN4CCOCC4)F)C(=O)OC(C)C	PC-id_160213820	532.25	PIHYNBUWJZKPBK-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-156012
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc(Br)c1	PC-id_20409964	532.312	PXMJUBXXEVGEID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156013
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc(Br)c1	PC-id_20409957	532.312	UXRVXSLGDKTDBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156014
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NOCCN)Nc1c(cc(cc1)I)F)C	PC-id_86635111	532.371	WZEULXHKMRPNCY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156015
s1c2c(CCCCCC2)c(c1NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(=O)N	PC-id_4095954	532.371	GOVIGRWNJPOFKG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-156016
c1(NC(=S)NC(=O)c2c(I)cnn2C)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_6802818,TIMTEC474125,ZINC22_98006024,MCULE-2552595363,PC-id_3597037	532.419	UENRKJWOWNNSDK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156017
CCOC(=O)c1c(Nc2ccc(cc2F)I)sc2c1CC(C)(C)CN=C2SC	SCHEMBL4504647,PC-id_69070470	532.434	QAZCQVHKLBSBEV-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-156018
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(I)o3)sc3c2CCCCCC3)c1	ZINC22_408972027	532.437	OIEMFOJZVJPFNK-VULFUBBASA-N	00000000101000110100000000000010000000000000000000000000	31-01-156019
Brc1ccc(/C=c/s/c(=C(/C#N)c3nnc4CCCCCn34)/n(Cc3ccccc3)c2=O)cc1	CoCoCo_6131510,PC-id_45129439,ZINC22_103795431,EMOLS-id_45973126	532.455	VTICKCLODHZZGL-NSZQUDPFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156020
c1(=C(C#N)c2nnc3CCCCCn23)sc(=Cc2ccc(cc2)Br)c(=O)n1Cc1ccccc1	PC-id_72038504,MCULE-1406824447	532.455	VTICKCLODHZZGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156021
N#C/C(=c/1s/c(=Cc2ccc(cc2)Br)/c(=O)n1Cc1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_6131511	532.455	VTICKCLODHZZGL-NQKABAJHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156022
N#C/C(=c/1s/c(=C/c2ccc(cc2)Br)/c(=O)n1Cc1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_6131512	532.455	VTICKCLODHZZGL-PIMYVDQYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156023
N#C/C(=c
/s/c(=Cc2ccc(cc2)Br)/c(=O)n1Cc1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_6131513	532.455	VTICKCLODHZZGL-LSTOPDQVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156024
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc1	PC-id_21166562	532.476	ZRLJPRXSYAVUMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156025
Brc1oc(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cc1	PC-id_19724883	532.476	XAHPWVBIFUXFFI-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-156026
c1(NC(=S)NNS(=O)(=O)c2ccc(cc2)Br)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_990289,CHEMBL1302714,PC-id_2205362,ChEMBL-DNDi_CHEMBL1302714,ZINC22_2851656,TIMTEC281521,EMOLS-id_2469177,MCULE-1618885641	532.495	LDPQQIAJEIEMMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156027
IC(=CCc1ccc2-c1ccc(cc2)C(C)(C)C)c1ccc2-c1ccc(cc2)C(C)(C)C	PC-id_141572852	532.498	AEOKHZUSDAHGIG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156028
Clc1c(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)ccc(Cl)c1	PC-id_19729027	532.508	OMUVPWCQOLXLDO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156029
Clc1cc(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)ccc1Cl	PC-id_19729306	532.508	JZOKULVTZJUKKH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156030
c12cc(on1)CNCCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1	MCULE-1305281930,ZINC22_1772713225,EMOLS-id_317493417,PC-id_137343412	532.591	HQFMHNDDKJMHDF-NMNUPHIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156031
O(C(=O)c1c2-c(c(C(=c3ccc(=C(C#N)C#N)cc3)C(=C(C#N)C#N)c3ccccc3)c1)cccc(C(C)C)c2)C	PC-id_44249505	532.591	JIHZVRZPCZLNEA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156032
S(=O)(Oc1ccc(cc1)C)NC(CNC(=O)c1nn2CCCN(CC3CCNCC3)C(=O)c2c1)C(=O)O	PC-id_54187240	532.612	PFXSVQIWIZBBJD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156033
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(F)cc1)C(=O)OCC	PC-id_17305391	532.651	JDYVOLNOQMDMAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156034
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC)C(=O)OC	PC-id_19640513	532.651	NIMVCSRXAAGZAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156035
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)C)C(=O)OCC	PC-id_19640479	532.651	BKYMLUMNESAPPH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156036
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(F)cc1)C(=O)OC	PC-id_19633622	532.651	KSUUCPJNUMFPOE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156037
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)C)C(=O)OC	PC-id_19640441	532.651	MHULBLXSQRQKEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156038
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccc(OC)cc1)CC)C(=O)OCC	PC-id_53293614	532.652	BNIWMDKIFYLKPP-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-156039
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1[n+]([nH]oc1=O)c1ccc(OC)cc1)C(=O)OCC	PC-id_53294210	532.652	RXFIHURYLHJJTJ-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-156040
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccc(OC)cc1)CC)C(=O)OC	PC-id_53293860	532.652	XIGVTLWXLXCNEK-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-156041
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccc(OC)cc1)C)C(=O)OCC	PC-id_53292516	532.652	MUIUIGOQNSISDR-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-156042
CCCc1nc2c(n1Cc1ccc(c3ccccc3S(=O)(=O)Nc3onc(C)c3C)cc1)C(=O)CCCC2	CHEMBL12779,SCHEMBL4764826,PC-id_44267891,BindingDB_PC-id_44267891	532.654	BZKRFADHPWYAAS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156043
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	PC-id_20747631,SCHEMBL4775368	532.654	DDUGAZZGYOBHAW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156044
s1c2CCCCCc2cc1C(=O)Nc1c(c(C2CC(N(C)c3ncc(cc3)C(=O)O)C(=O)NC2)ccc1)C	PC-id_77571907	532.654	IYPCQRHQUMMQAW-UHFFFAOYSA-N	00000000100010111100100000000010000000000000000000000000	31-01-156045
S(=O)(=O)(Nc1onc(c1C)C)c1c(c2c(cc(Cn3c4c(nc3C)CCCCC4=O)cc2)CC)cccc1	PC-id_20747605	532.654	HWTQRTWLUQODPK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156046
CCc1c(C(=O)NCc2ccc(c3ccccc3)cc2)c2c(n1CC[C@@H](O)C[C@@H](O)CC(=O)O)CCCCC2	CHEMBL488471,BindingDB_PC-id_24901666,PC-id_24901666	532.67	QAHXUYBKXUMQHT-CLJLJLNGSA-N	00000000100000110100100000000010000000000000000000000000	31-01-156047
OC(CCn1c2c(CCCCC2)c(c1CC)C(=O)NCc1ccc(cc1)c1ccccc1)CC(O)CC(=O)O	PC-id_74349739	532.67	QAHXUYBKXUMQHT-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-156048
c1(c2-c(c([C+](c3c4-c(cc3)ccccc4)[C]3[CH][CH][CH][CH]3)c1)ccccc2)[C+](c1c2-c(cc1)ccccc2)[C]1[CH][CH][CH][CH]1	PC-id_10843742	532.672	AYWNLJMBAIJNAD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156049
c1ccc2-c(c(cc2/C(=C/C=Cc3ccccc[c+]23)/[C]2[CH][CH][CH][CH]2)/C(=C/C=Cc3ccccc[c+]23)/[C]2[CH][CH][CH][CH]2)cc1	PC-id_135485914	532.672	AYWNLJMBAIJNAD-LGBWSBGPSA-N	00000011100000000110000000000010000000000000000000000000	31-01-156050
c1ccc2-c(c(cc2/C(=C/2C=Cc3ccccc[c+]23)/[C]2[CH][CH][CH][CH]2)/C(=C/2C=Cc3ccccc[c+]23)/[C]2[CH][CH][CH][CH]2)cc1	PC-id_135679907	532.672	AYWNLJMBAIJNAD-WWUXXHOVSA-N	00000011100000000110000000000010000000000000000000000000	31-01-156051
c1(NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_2679648,PC-id_2132726,SPECS-id_AF-399/40654521,CoCoCo_3780428,EMOLS-id_3064382,MCULE-1928224119	532.672	DPTPOLFVYXTSBK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-156052
[O-]c1c(cc(cc1C(C)(C)C)C(=c1[c-]2C=CC=CC=c2n(c1=O)C)c1c2-c(n(c1=O)C)ccccc2)C(C)(C)C	PC-id_101755337	532.672	FKUNLHSUQSTZCR-UHFFFAOYSA-M	00000010100000110110000000000010000000000000000000000000	31-01-156053
O=C1C(=CC(=C(c2c3-c(n(c2=O)C)ccccc3)c2c3-c(n(c2=O)C)ccccc3)C=C1C(C)(C)C)C(C)(C)C	PC-id_101753371	532.672	ZPFYZPXSPRCTMA-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-156054
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C(=O)OC	PC-id_4380377	532.672	XKEQOUXQJXKCNV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-156055
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC(=O)O)ccc1)CC)C(=O)OCC	PC-id_18898290	532.672	YQKQWYYSUYFOPL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156056
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C)C(=O)OC	PC-id_20181412	532.672	LXUIXPAVLACCGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156057
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC(=O)O)ccc1)CC)C(=O)OC	PC-id_18898291	532.672	PJTJWZHCADMISO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156058
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC(=O)O)ccc1)C)C(=O)OCC	PC-id_18898226	532.672	CXFKYVMUCVFEIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156059
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(=O)OCC)C(=O)OCC)C(=O)OCC	PC-id_20181324	532.672	KZDJIIQLJMSKIU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156060
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(ccc(c1)C(=O)OCC)C(=O)OCC)C(=O)OCC	PC-id_20181506	532.672	DHEIZGJMUSUXPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156061
Cc1ccc(cc1)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2c1cc([nH]2)CN1CCCC1	PC-id_139709988	532.675	XOEXZQPZUNOXJU-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-156062
N#CC(=C(C(=c1ccc(=C(C#N)C#N)cc1)c1cc(c2-c1ccc(cc2)C(C)(C)C)C(C)(C)C)C1C=CC=C1)C#N	PC-id_101858082	532.677	BOUCJWDLJBQYET-UHFFFAOYSA-N	00000011100000100110000000000010000000000000000000000000	31-01-156063
CCOC(=O)[C@H](C)Oc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1	ZINC22_408972229	532.694	NYBGVKNUOUNINA-ANRZLXOVSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156064
CCOC(=O)[C@@H](C)Oc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1	ZINC22_408972230	532.694	NYBGVKNUOUNINA-PGYFOQMFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156065
CN1CCN(CC1)CCCNS(=O)(=O)c1ccc2c(c1)C(=Cc1cc(c3-c1ccccc3)C(C)C)C(=O)N2	PC-id_70880626,SCHEMBL13324683	532.697	YVQNKEKBSTWCSW-UHFFFAOYSA-N	00000010100010100111000000001010000000000000000000000000	31-01-156066
S(=O)(=O)(NCCCN1CCN(CC1)C)c1cc2/C(=C/c3c4-c(c(C(C)C)c3)ccccc4)/C(=O)Nc2cc1	PC-id_59301673	532.697	YVQNKEKBSTWCSW-USHMODERSA-N	00000010100010100111000000001010000000000000000000000000	31-01-156067
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1sccc1)C(=O)OC	PC-id_19725336	532.699	BTOMPGPKVZABBH-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-156068
c1(NC(=O)CSc2c3ccccc3n(Cc3cccc(C)c3)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4287219324,ZINC22_97963676,PC-id_5066286,EMOLS-id_5439677,CoCoCo_4983078	532.717	YFKFNHPQTNWRLP-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-156069
CCOC(=O)c1c(NC(=O)C[NH+]2CCN(CC2)C(c2ccccc2)c2ccccc2)sc2c1CCCCC2	GD-id_ZINC23253905	532.717	MINQQHDKBVQWRT-UHFFFAOYSA-O	00000000100010110101000000000010000000000000000000000000	31-01-156070
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1c2c(n(c1)Cc1ccccc1)cccc2)C)C(=O)OCC	PC-id_3370994	532.717	ZWRPSCUNZPMSAC-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-156071
s1c2c(CCCCC2)c(c1NC(=O)CSc1c2c(n(Cc3ccc(cc3)C)c1)cccc2)C(=O)OCC	PC-id_4054463	532.717	NEOOYVNMOHMGER-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-156072
O=C(N(C(c1ccccc1C)C(=O)NC1CCCCC1)Cc1cccs1)Cc1c[nH]c2c1C=CC=NS2	PC-id_144316412	532.72	XOJKUKGUIQQPJN-UHFFFAOYSA-N	00000000100110110111000000000010000000000000000000000000	31-01-156073
CCCCCOc1c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cccc1OC	ZINC22_408969047	532.737	GIJVFTNHRWWWBG-QNKGDIEWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156074
Cc1cccc(n1)CN1CCC(CC1)C(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL20240349,PC-id_134587815	532.74	ASDWVOGLJGXOEB-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-156075
Cc1cccc(n1)CN1CCC(CC1)[C@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL18362865	532.74	ASDWVOGLJGXOEB-JOCHJYFZSA-N	00000000100010101100000000000010000000000000000000000000	31-01-156076
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(CC)c(sc1)C)C(=O)OC	PC-id_19721937	532.742	UVIRSXLTHOLCCC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156077
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CCC)C(=O)OC	PC-id_19719653	532.742	CDHBWJSVPHGIRH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156078
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CCC)C(=O)OC	PC-id_19719809	532.742	SVQKSEDQFGSCAZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156079
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)C(C)C)C(=O)OC	PC-id_19720427	532.742	KYIKVZCMILBQOY-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156080
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C(C)C)C(=O)OC	PC-id_19720583	532.742	FWUJWUIRKTYJIO-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156081
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CC)C(=O)OCC	PC-id_19718990	532.742	KUEASXKFTONXIG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156082
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CC)C(=O)OCC	PC-id_19719143	532.742	SJFSNUUTIUBLMP-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156083
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1c(c(sc1)C)C)C(=O)OCC	PC-id_19721286	532.742	ZFFHVYOIBMSYPA-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156084
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(c(sc1)C)C)C(=O)OCC	PC-id_19721440	532.742	FFWJTMZDLLVZLM-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156085
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CCC)C(=O)OC	PC-id_17300497	532.742	YJGYCGMXKDLHQV-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156086
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC)C(=O)OCC	PC-id_19721682	532.742	IEAFBYPGVKYKLE-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156087
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC)C(=O)OCC	PC-id_19719449	532.742	XQAYBSXTRWEKQI-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156088
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC)C(=O)OCC	PC-id_19720221	532.742	VXNQKRNQUCVACF-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156089
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CC)C(=O)OC	PC-id_19718887	532.742	DMCOXYWDAYHNSZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156090
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CC)C(=O)OC	PC-id_19719041	532.742	DUNFYSNAKJHZKO-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156091
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1c(c(sc1)C)C)C(=O)OC	PC-id_19721185	532.742	DBSAIQPETNDEBZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156092
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(c(sc1)C)C)C(=O)OC	PC-id_19721338	532.742	LKEWLLRDARLNQY-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156093
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC)C(=O)OC	PC-id_17299875	532.742	FGTOILKTQFDLBI-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156094
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC)C(=O)OC	PC-id_19719345	532.742	RNEBLEVCVAHXPZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156095
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC)C(=O)OC	PC-id_19720118	532.742	FYNVDYZCCUWKNI-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-156096
CCCCOc1ccc(cc1[C@H]1C[C@@H](OCCCC)C[C@H](O1)COCCCC)Cc1cc2-c(c1)ccccc2	PC-id_71196351,SCHEMBL14536581	532.753	MTDJOENQYVTXKM-IGVZRYHESA-N	00000010100010110110100000000010000000000000000000000000	31-01-156097
CCOC(=O)c1c(Nc2ccc(cc2Cl)I)sc2c1CC(C)(C)CN(C2=O)C	SCHEMBL4512296,PC-id_69073927	532.823	UBWLMWXLQXJNGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156099
Clc1ccc(cc1)C(=O)c1c(C)c(c2-c1ccccc2)Cc1scc(n1)c1ccc(cc1)Br	PC-id_139814855	532.879	SYTMEYBCRWGAQF-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-156100
Clc1ccc(C(=O)C[n+]2nc(n3c2CCCCC3)COc2c(ccc(c2)C)C(C)C)cc1.[Br-]	CHEMBL1347339	532.9	ALBJHCHDGVYHOF-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-156101
CCOC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1sc2c(c1C(=O)OC)CCCCC2)C(F)(F)F	ZINC22_8445229,CoCoCo_6890126,PC-id_40733790	532.96	DKNXEVQAMLGHJU-QFIPXVFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156102
CCOC(=O)[C@@](NC(=O)c1ccccc1Cl)(Nc1sc2c(c1C(=O)OC)CCCCC2)C(F)(F)F	ZINC22_8445231,GD-id_ZINC08445231,CoCoCo_6890125,PC-id_40733791	532.96	DKNXEVQAMLGHJU-JOCHJYFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156103
CCOC(=O)C(NC(=O)c1ccccc1Cl)(Nc1sc2CCCCCc2c1C(=O)OC)C(F)(F)F	MCULE-6723757213,PC-id_11836056,EMOLS-id_8219312,SPECS-id_AG-389/14049006	532.96	DKNXEVQAMLGHJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156104
COc1cc(cc(c1)OCc1nc2c(n1Cc1ccccc1)C(=O)N(CCN2)Cc1cc(ccc1)Cl)OC	PC-id_134806597	533.018	KHXNSTMKYQFVIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156105
CC(N1CCCc2c(C1)sc(n2)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(s1)Cl)C(=O)O)C	PC-id_140161826	533.063	IRAWSMLDFRVROD-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-156106
Clc1ccc(n2c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nc(=O)cc2N)cc1	PC-id_3310151	533.063	SYMHMXYPJOUEMW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156107
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cc1	PC-id_20124228	533.106	KIJOOJOHXLFIKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156108
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cc1	PC-id_17302936	533.106	ZSKLXWRYONKHAE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156109
O=C1CC(CCC2CCN(CC2)C(N[C@@H](C(=O)C)Cc2cc(C)c(c(c2)Cl)N)O)Cc2c(N1)ccs2	PC-id_143122363	533.126	CEELQGJLTVJNPB-AHKKLNPASA-N	00000000100010110100000000000010000000000000000000000000	31-01-156110
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F	PC-id_161125870	533.179	ULNXBGKHPIBFGX-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156111
CC1=CC(=NO1)OCC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F	PC-id_160079784	533.197	ORTXVYGUBUYECY-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156112
CC1=NC2=C(S1)C=CC(=C2)C(=O)CC3CCC(CC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)F	PC-id_162024249	533.198	YVDRVWVACNNSID-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156113
CC1=NC(=NO1)CC(=O)NC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCCC(F)(F)F)F	PC-id_147349030	533.208	DEZXTTORBGGEJG-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156114
CC(COC1=NC2=C(S1)CCN(CC2)CCC3CCC(CO3)NC(=O)C4=CC5=C(C=C4)C=NN5C)(F)F	PC-id_149300990	533.227	XWTDQRZJIQBPTH-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156115
CC(COC1=NC2=C(S1)CCN(CC2)CCC3CCC(CO3)NC(=O)C4=CC5=NN(C=C5C=C4)C)(F)F	PC-id_148840141	533.227	OVJRPKRJFYSRHL-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156116
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NOCCO)cc1	PC-id_57391522	533.356	MDRXVIUFICVQAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156117
s1c2c(CCCCC2)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_4099096	533.356	PERLVBZTROZCTF-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-156118
c1(N(=O)=O)nn(cc1Br)Cc1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	ZINC22_668716,EMOLS-id_8245329,CoCoCo_6920555,PC-id_1008924,SPECS-id_AK-968/12516614,MCULE-6471128400	533.395	YYEBPQQCGITIMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156119
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(I)cn2)CC	PC-id_145511760	533.405	JTQZZOGLXXQVBZ-ATVHPVEESA-N	00000010100000100100000000001010000000000000000000000000	31-01-156120
OCCC1CCc2nc(n(c2C(=O)N(C1=O)CC)Cc1ccc(c(c1)Br)O)NC1CCCCC1	PC-id_143231930	533.458	HAEKVBFTXYZMAU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156121
CN1CCN(CC1)C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16129734,PC-id_117616545	533.467	PNBDBWPKHNZMGU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156122
CNC1CCN(C1)C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16129638,PC-id_117616468	533.467	DQMYXLXRWGJLDN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-156123
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(c3ccc(Br)cc3)o2)sc2c1CCCCCC2	ZINC22_408973540	533.479	TZPODZZVWPFRES-UXHLAJHPSA-N	00000000101000110100100000000010000000000000000000000000	31-01-156124
CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)c1cccc(c1)C(F)(F)F	TIMTEC462860,PC-id_3449058,STOCK1S-81900,SPECS-id_AG-389/14049021,MCULE-7629539361,EMOLS-id_4410429	533.487	SYCGZWUCXNFIRM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156125
CCOC(=O)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	CoCoCo_6890132,ZINC22_2050122,PC-id_1716550,GD-id_ZINC02050122	533.487	SYCGZWUCXNFIRM-OAQYLSRUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156126
CCOC(=O)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1sc2c(c1C#N)CCCCC2)C(F)(F)F	CoCoCo_6890133,GD-id_ZINC02050121,ZINC22_2050121,PC-id_1716549	533.487	SYCGZWUCXNFIRM-NRFANRHFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156127
Cc1c(cc(cc1)N1CCN(CC1)C/C(=C/C=C(C)/Br)/C)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478264	533.503	RAIOLTFKBJELPQ-OCSBUCLNSA-N	00000010100010110111100000000010000000000000000000000000	31-01-156128
C/C(=CC=C(Br)/C)/CN1CCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C	SCHEMBL13076576	533.503	RAIOLTFKBJELPQ-YCHQTPLKSA-N	00000010100010110111100000000010000000000000000000000000	31-01-156129
Brc1ccc(Cn2ncc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)c2)cc1	PC-id_20170730	533.504	PQWYBAKEZNQZHC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156130
Brc1ccc(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)c2)cc1	PC-id_20170723	533.504	JZJKIELUBGJKCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156131
Brc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_20168320	533.504	QQOKNMMVVMQDGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156132
Brc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cc2)cc1	PC-id_20168313	533.504	MSZTZBNDXROACR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156133
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nn(Cc2ccc(cc2)C)c1	PC-id_20173044	533.504	IUHGOZLCNXNGHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156134
Brc1cn(nc1)Cc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1	PC-id_20173211	533.504	XKBASBJEIIPYFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156135
Brc1cn(nc1)Cc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1	PC-id_20173204	533.504	IHJVGVXEVBMBRY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156136
CC1CC(CC(N1)C)Nc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700473	533.51	NNYLEOUDAIVJMH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156137
CCC1NCCC(C1)Nc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700380	533.51	AJODOFAGYXNMQU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156138
O=C(N1CCCn2c(C1)cc(n2)NC1CCNC(C1)(C)C)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700512	533.51	FEPGYJRNYHHQBC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156139
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCCN1C(=O)c2c(C1=O)cccc2	SCHEMBL8165322,PC-id_54053973	533.529	LUXOGWDLLCHAFH-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-156140
CCON(N1C(=O)c2c(C1=O)cccc2)C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	SCHEMBL8165328	533.529	VFEBTQVWZIQPSI-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-156141
COCCN(C(=O)CONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)CCOC	PC-id_15411822,SCHEMBL6881705	533.571	UEWYEEIOMKKSQE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156142
Cn1cc(OCC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1	BindingDB-id_989464,SCHEMBL21042387	533.583	FGTPWKOXAMOVMM-MIRVZWSXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156143
O=C(NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1cnn(c1)C	PC-id_138671960	533.583	FGTPWKOXAMOVMM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156144
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)OCC	PC-id_19659410	533.595	ATGYXOMYQHDHIZ-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156145
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OCC	PC-id_73633897	533.595	ATGYXOMYQHDHIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156146
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19660093	533.595	LOTZIHJYWPPHLP-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156147
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73634557	533.595	LOTZIHJYWPPHLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156148
O=C(c1ccn2c1cccn2)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451929	533.609	BXEQJMSPGCALNQ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156149
COCCN(CCOC)CCCONC(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC	PC-id_23296703,SCHEMBL6870721	533.614	XNZIDJVAHHGNTI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156150
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_4344771	533.617	WNDBXCYDFDYRDC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156151
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(OCC)cc1)C(=O)OCC	PC-id_4546899	533.617	GTDCXSVOSSWHEW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156152
Cn1cc(C(=O)OC[C@H]2CN(Cc3ccccc3)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc12	PC-id_44180167,CHEMBL568802,BindingDB_PC-id_44180167	533.62	OQOGSVULDOIHHO-RUZDIDTESA-N	00000000100000110101000001100010000000000000000000000000	31-01-156153
O(CC1NC(=O)c2nn(cc2N(C1)Cc1ccccc1)CCc1ccccc1)C(=O)c1c2c(n(c1)C)cccc2	PC-id_74942106	533.62	OQOGSVULDOIHHO-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-156154
COc1ccc(cc1)CN1CC(=O)NCCCC(=O)NC(c2nnnn2CCCC1=O)CCc1ccccc1	PC-id_135035060	533.622	PIXMIUFDMYZGMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156155
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OCc2ccccc2)cc1)C)C(=O)OCC	PC-id_19658416	533.639	UWVVYIQXBRPGLI-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-156156
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OCc2ccccc2)cc1)C)C(=O)OCC	PC-id_73632925	533.639	UWVVYIQXBRPGLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156157
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OCc2cc(ccc2)C)cc1)C(=O)OCC	PC-id_3678877	533.639	TUFPGRLJSQYLPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156158
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OCc2cc(ccc2)C)cc1)C(=O)OCC	PC-id_9630771	533.639	TUFPGRLJSQYLPF-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156159
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCc2c(cccc2)C)ccc1)C(=O)OCC	PC-id_19659708	533.639	YUIFDHRGOOZZML-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156160
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCc2c(cccc2)C)ccc1)C(=O)OCC	PC-id_73634189	533.639	YUIFDHRGOOZZML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156161
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)CCC(F)(F)F	PC-id_138671411	533.652	FLRJSRFROACWKB-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156162
Cn1nc2c(c1)c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)CCC(F)(F)F	SCHEMBL21041794	533.652	FLRJSRFROACWKB-WGSAOQKQSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156163
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OCC)c1ccc(cc1)C	PC-id_16923803	533.66	VJWBTLYCSYSVOM-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-156164
CCOC(C1CCN(CC1)C(=O)CCc1ccc(cc1C)C(=O)N1Cc2cnn(c2NC(=C)/C/1=CC=C)C)O	PC-id_143188951	533.662	KUYYZYKJDBEPOY-MWRNPHMMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156165
Fc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2	PC-id_44197126,SCHEMBL12057613	533.678	PZNODTDRLSTUNI-OAQYLSRUSA-N	00000010100010110100000000000010000000000000000000000000	31-01-156166
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2)c1ccc(F)cc1	PC-id_74948467	533.678	PZNODTDRLSTUNI-UHFFFAOYSA-N	00000010100010110100000000000010000000000000000000000000	31-01-156167
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc(OC)c2)C(=O)OC	PC-id_5084276	533.683	HPLKMLBTSBQNIS-LCUIJRPUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-156168
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-1066499705,EMOLS-id_16381927,PC-id_4532180,CoCoCo_2661433	533.687	QXJRFVCNZYHLHT-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-156169
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(c2ccc(cc2)C)ccc1C#N)C(=O)OCC	PC-id_24084208	533.705	BNWMICJLIQQJDA-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-156170
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC=C)C#N	PC-id_17307434	533.708	IYGXCGAFRGJWJJ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-156171
CCCCCC/C/1=C/c2csc(n2)[C@@H](C)[C@H](O)C[C@H](/C=C/C=CC[C@@H](OC1=O)OC(=O)CCCCC)O	PC-id_102585133	533.72	DFTRSUZZXFESIL-KNJOHQQRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156172
s1c(NC(=O)C[NH+]2CC[NH+](CC2)C(c2ccccc2)c2ccccc2)c(c2c1CCCCC2)C(=O)OCC	PC-id_49827450	533.725	MINQQHDKBVQWRT-UHFFFAOYSA-P	00000000100010110101000000000010000000000000000000000000	31-01-156173
C1NCC(C1)C1=CSC(=NC1)Nc1ncc(cc1Oc1ccccc1)SC1=c2sccc2=NCCC1	PC-id_143556258	533.731	RDYANBIOYMVDMV-UHFFFAOYSA-N	00000010100011111111100000000010000000000000000000000000	31-01-156174
s1c2c(CCCCC2)c(c1NC(=S)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)OCC	PC-id_19654346	533.748	VWAGVJJPKFKCMA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156175
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)OC	PC-id_19654339	533.748	OVDZTWBEFMMUJY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156176
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)N(C)OC)Nc1c(cc(cc1)I)Cl)C	PC-id_87679155,SCHEMBL4503188	533.811	NIXZBJFBVGCQSD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156177
NC(=O)c1c(NC(=S)NC(=O)c2cc(I)ccc2Cl)sc2c1CCCCC2	PC-id_20166155,ZINC22_59247877	533.834	CXBZEMALVXZKMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156178
Clc1cc(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)ccc1F	PC-id_21164692	534.069	NSIIOHRHXLTTRV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156179
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)ccc(F)c1	PC-id_19640790	534.069	DAJXGEGAGOUNQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156180
Clc1c(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)ccc(F)c1	PC-id_19633948	534.069	UGTOWPQUFDAQQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156181
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)C)ccc(F)c1	PC-id_19640672	534.069	NLKLOMKAKYNXSX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156182
C1CN(CC2=CC(=NN2C1)C(=O)CC3=NCCS3)C(=O)OCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F	PC-id_148889495	534.116	PEPYLWVYSGZGGJ-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-156183
CC1=C(SC2=C1SC[C@@H](C(=O)N2C)NC(=O)C3=NN=C(C3)CC4=CC=CC=C4)C#CC5(CCCCC5)O	PC-id_163962499	534.176	QBRXNFHGOBMLCD-QFIPXVFZSA-N	00000011100010110101000000000010000000000000000000000000	31-01-156184
CN1C(=C(C=N1)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F)F	PC-id_161784218	534.209	XQNKASRJINHVCM-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156185
CC1CC=CC(=C1)CCC(C)[C@H]1CCc2c(n(cc2S(=NC)(=O)N1)C)C(=O)Nc1cc(c(c(c1)F)F)F	PC-id_164160147	534.228	ZMGMKIIOZZDOMQ-IPZCERTMSA-N	00000000100011110101000000000010000000000000000000000000	31-01-156186
CN1C2=C(C=CC=C2C(=O)CC3CCC(CC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F)C=N1	PC-id_161195627	534.228	UUHLRMYEUGCCRO-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156187
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C	PC-id_155171330	534.251	HRTMNWXJEISSEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156188
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C#N	PC-id_3422888	534.362	FLJIHGHCZMFBNP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-156189
C1CN(Cc2cc(nn2C1)C(=O)N1CCC(CC1)O)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_86345886,SCHEMBL16094293	534.451	UDOMKCOTXGMGNJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156190
O=C(N1CCCn2c(C1)cc(n2)C(=O)NC1CCOCC1)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16129731,PC-id_117616542	534.451	GBRLWGOVKLWBPD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156191
C1CC(N(Cc2nnc(n2C1)C(F)(F)F)S(=O)(=O)c1ccccc1OC(F)(F)F)Cc1ccccc1	SCHEMBL14718037,PC-id_89414355	534.475	AGPGKFVOKDWBID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156192
FC(Oc1ccccc1S(=O)(=O)N1Cc2nnc(n2CCC[C@H]1Cc1ccccc1)C(F)(F)F)(F)F	SCHEMBL14718035	534.475	AGPGKFVOKDWBID-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156193
Clc1c(C(=O)Nc2sc3CCCCCc3c2C#N)cc(S(=O)(=O)N(c2c(Cl)cccc2)C)cc1	PC-id_2381233	534.478	YNTNRKOBSIAKPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156194
Brc1oc(c2n(CCC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)cc1	PC-id_19725038	534.492	SYIQSBGLLXYQJW-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-156195
Brc1oc(c2n(C(C)C)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)cc1	PC-id_19725192	534.492	ADYNIKINSHUIJF-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-156196
CSN1CCCc2c(C1)c(n[nH]2)C(=O)N1CCCC(CC1)C1=CC(=CCC(=C1)C(F)(F)F)C(F)(F)F	PC-id_144954995	534.561	JABSZCIYKCJYMS-UHFFFAOYSA-N	00000000100000000111100000000010000000000000000000000000	31-01-156197
CNC(=O)[C@H](N1CCCc2c(C1CCc1cc(F)c(c(c1)F)C(F)(F)F)c(C)nn2CC)c1ccccc1	PC-id_59175207,SCHEMBL8220406	534.564	SAVASPMZIYNRRA-ZWAGFTRDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156198
CNC(=O)[C@H](N1CCCc2c([C@@H]1CCc1cc(F)c(c(c1)F)C(F)(F)F)c(C)nn2CC)c1ccccc1	PC-id_24771004,SCHEMBL3142828	534.564	SAVASPMZIYNRRA-BKMJKUGQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156199
CNC(=O)[C@H](N1CCCc2c([C@H]1CCc1cc(F)c(c(c1)F)C(F)(F)F)c(C)nn2CC)c1ccccc1	PC-id_59175206,SCHEMBL3152229	534.564	SAVASPMZIYNRRA-ATIYNZHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156200
CNC(=O)C(N1CCCc2c(C1CCc1cc(F)c(c(c1)F)C(F)(F)F)c(C)nn2CC)c1ccccc1	PC-id_68532442,SCHEMBL3156315	534.564	SAVASPMZIYNRRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156201
O=C(NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1noc(c1)C	PC-id_138671344	534.567	GQDFHOBJNPGSRV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156202
O=C(N[C@@H]1CC[C@@](CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1noc(c1)C	SCHEMBL21041726	534.567	GQDFHOBJNPGSRV-MIRVZWSXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156203
C/C=CC(=C/C)CC(C(=O)NCC(=O)NC(C(=O)C(F)(F)F)Cc1c[nH]c2c1CC=CC=C2)NC(=O)CC	PC-id_142108810	534.571	APEXPVPKKSVPCA-LKDBDECYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-156204
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCCC1)C	SCHEMBL19644412	534.571	CMCAPKCBTGAAMJ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-156205
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1ccc(cc1)C	PC-id_141350344	534.598	AWEUJPWGQTXFJI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156206
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)C1CCCC1	MCULE-1929844434,PC-id_137342885,EMOLS-id_317459389,ZINC22_1772713215	534.605	AKCRSDMOWSBATG-VZJWBNGJSA-N	00000010100000000101000000000010000000000000000000000000	31-01-156207
CCOC(=O)c1c(NC(c2ccc(cc2)C)Nc2nc3-c(c2C(=O)OCC)ccccc3)nc2-c1ccccc2	PC-id_102048945	534.605	HTOYJYBQJGWHMX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156208
S(=O)(=O)(Nc1onc(c1C)C)c1c(c2c(cc(Cn3c4c(nc3C)CCCCC4=O)cc2)CO)cccc1	PC-id_20747607	534.627	LFOPPJUXZNWQHW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156209
O=C(Cc1cnc(s1)C)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671951	534.634	WODDYEFABBASTN-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156210
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@@](CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21042378	534.634	WODDYEFABBASTN-MIRVZWSXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156211
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2ccc(F)cc2)nn1)C(=O)OCC	PC-id_23959486	534.647	QTSAUYLODWQCAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156212
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc(F)ccc2)nn1)C(=O)OCC	PC-id_23793094	534.647	UIAMISLOCXOZAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156213
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2c(F)cccc2)nn1)C(=O)OCC	PC-id_24153048	534.647	NUSIUSIIYYKHHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156214
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCN(CC2)C(=O)OCC)sc2c(CCCCC2)c1C(=O)N	PC-id_4295445,ZINC22_4177328,EMOLS-id_5472460,CoCoCo_5016097,MCULE-2553877047	534.648	RVZFFYPFGPNZGO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156215
OCCN1CCCn2c(C1)cc(n2)Nc1ncnc(c1)c1ccc(c(c1)C)CNC(=O)N1CC(C1)OC(C)C	SCHEMBL18170399,PC-id_122639035	534.653	NDDXVQXNGCSXHK-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-156216
CCOC(=O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC	ZINC22_408969620	534.666	QWAYLUKRTGMTFV-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-156217
CCOC(=O)Oc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc1OC	ZINC22_409011243	534.666	FJKSHQAUMDGKSO-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156218
CCOC(=O)Oc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1OC	ZINC22_409018403	534.666	UVKYPPINQUOCOU-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156219
CCOC(=O)Oc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)cc1OC	ZINC22_409011112	534.666	DPSVSUXXMKARGT-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156220
CCOC(=O)Oc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)cc1OC	ZINC22_409016648	534.666	QZXJBCQTPYVZFT-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156221
CSCC(C(=O)OCC)NC(=O)c1sc(c2c1OCCCO2)C(=O)NC(C(=O)OCC)CSC	PC-id_58451821,SCHEMBL12308169	534.666	IBHBHZWIHVNHPE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156222
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc(ccc2)C)ccc1)C(=O)OCC	PC-id_18911387	536.705	RSNBKMRTWUOHGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156418
CCN(S(=O)(=O)c1cccc(c1)C(=O)NC(c1nnc2n1CCCCC2)Cc1c[nH]c2c1cccc2)CC	MCULE-1651150741,CHEMBL1548245,ChEMBL-DNDi_CHEMBL1548245,EMOLS-id_2928875,PC-id_3627377	534.673	HLMUHRXEEFTPAN-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-156223
CCN(S(=O)(=O)c1cccc(c1)C(=O)N[C@H](c1nnc2n1CCCCC2)Cc1c[nH]c2c1cccc2)CC	CoCoCo_3735165,PC-id_2320052	534.673	HLMUHRXEEFTPAN-VWLOTQADSA-N	00000000100000110101000001100010000000000000000000000000	31-01-156224
CCN(S(=O)(=O)c1cccc(c1)C(=O)N[C@@H](c1nnc2n1CCCCC2)Cc1c[nH]c2c1cccc2)CC	PC-id_2320053,CoCoCo_3735164	534.673	HLMUHRXEEFTPAN-RUZDIDTESA-N	00000000100000110101000001100010000000000000000000000000	31-01-156225
FC(COc1nc2c(s1)CCN(CC2)CCC1CCC(CC1)NC(=O)c1ccc2c(c1)nc(s2)C)F	PC-id_138670358	534.685	GGDSZLBZURIKDJ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156226
FC(COc1nc2c(s1)CCN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1ccc2c(c1)nc(s2)C)F	SCHEMBL21040697	534.685	GGDSZLBZURIKDJ-UAPYVXQJSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156227
CCC1CCN(C(C1)c1ccc(cc1)C(=O)OC)CC1=C(C=C(Cc2c1ccn2C(=O)OC(C)(C)C)C)OC	SCHEMBL20011768,PC-id_134382405	534.686	MXUIUHZXFIPUAP-UHFFFAOYSA-N	00000000100010110110100000000010000000000000000000000000	31-01-156228
C(c1c2-c(c(C(c3c4-c(cc3)ccccc4)[C]3[CH][CH][CH][CH]3)c1)ccccc2)(c1c2-c(cc1)ccccc2)[C]1[CH][CH][CH][CH]1	PC-id_10747784	534.688	TXMCNPIKFWOVFD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156229
CN1C2=CC=CC=CC2C(=C(c2c3-c(n(c2=O)C)ccccc3)c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)C1=O	PC-id_101755338	534.688	HEEFPHMXNSCZBD-UHFFFAOYSA-N	00000010100000110110000000000110000000000000000000000000	31-01-156230
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CC2)ccc1)c1ccccc1)C(=O)OC	PC-id_18908942	534.689	PSXYBYACFWLDHZ-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-156231
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/c2ccccc2)ccc1)C)C(=O)OC	PC-id_18909107	534.689	KVZQEDPZKFZFSZ-WUKNDPDISA-N	00000000100000110100000000000010000000000000000000000000	31-01-156232
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=Cc2ccccc2)ccc1)C)C(=O)OC	PC-id_73470625	534.689	KVZQEDPZKFZFSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156233
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C=C/c2ccccc2)ccc1)C(=O)OCC	PC-id_18909141	534.689	DFBQFCAJOZIEMD-WUKNDPDISA-N	00000000100000110100000000000010000000000000000000000000	31-01-156234
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C=Cc2ccccc2)ccc1)C(=O)OCC	PC-id_73470659	534.689	DFBQFCAJOZIEMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156235
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C=C/c2ccccc2)ccc1)C(=O)OC	PC-id_18909142	534.689	QCLSBZSJJNDCHZ-WUKNDPDISA-N	00000000100000110100000000000010000000000000000000000000	31-01-156236
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C=Cc2ccccc2)ccc1)C(=O)OC	PC-id_73470660	534.689	QCLSBZSJJNDCHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156237
CCN(Cc1[nH]c2c(c1)N(CCCC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccc(cc1)C)CC	PC-id_139709967	534.691	LYVQLIOOASFVPU-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-156238
C/C=CC=C
/CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(cc1)OCC(=O)N1CCN(CC1)CCC(C)(C)C	PC-id_143188798	534.693	HQEYQJZUSADANG-QBLVBKSTSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156239
CC(c1ccc(c2-c(c1)c(cc2C(=O)C(C)C)C(=O)c1cc(c2-c1cc(ccc2C)C(C)C)C(=O)C(C)C)C)C	PC-id_102042043	534.728	GJKHXBUXAWQUIR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156240
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC(C)C)CC(C)C)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_11852861,CoCoCo_5015596,PC-id_3488797,EMOLS-id_5471804,MCULE-8455830438	534.731	MCGQFELTBPGUNP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156241
Cc1c2-c(c(cc2C=Cc2cc(c3-c2c(ccc(c3)C(C)C)C)C=[N+](C(C)(C)C)[O-])C=NO)cc(cc1)C(C)C	PC-id_88955512	534.731	UMIGSFLHCOTAQR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156242
ON=Cc1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(C)(C)C)[O-]	SCHEMBL12743764	534.731	UMIGSFLHCOTAQR-LVXXEUDSSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156243
c1(sc2c(CCCCC2)c1C(=O)OC)NC(=S)N1CCC(CC1)C(O)(c1ccccc1)c1ccccc1	PC-id_17376360,MCULE-9592160069,ZINC22_97945702,EMOLS-id_4186820,TIMTEC143384,CoCoCo_6812268	534.733	FFQRBHHWBAUQIF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-156244
O=C(Oc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1)c1cc2c(s1)CCCCC2	EMOLS-id_44027385,PC-id_16386162,MCULE-1516088233,ZINC22_102844399,CoCoCo_4479038	534.733	RMSJOAHPBCIMKH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156245
C=C1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)CCCCC(=O)N1CCN(CC1)CCC(C)(C)C	PC-id_143188643	534.736	ZZIDPOXORXGDQX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156246
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC=C)C#N	PC-id_19641979	534.739	RHYRQDNUHDCIFB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156247
O=C(c1cc(c2-c1ccc(cc2)C(C)(C)C)C(C)(C)C)C(=O)c1cc(c2-c1ccc(cc2)C(C)(C)C)C(C)(C)C	PC-id_101845455	534.771	FLCLEWWVYDLPKF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156248
c1(NC(=O)c2csc3CC(C(C)(C)C)CCc23)sc2c(CCCCCC2)c1C(=O)NCc1ccccc1	EMOLS-id_4186822,MCULE-6801090865,PC-id_4513690,TIMTEC459358	534.776	SUDPUTUDQMISKK-UHFFFAOYSA-N	00000000100010110100000000010010000000000000000000000000	31-01-156249
CC(C)(C)[C@@H]1CCc2c(C(=O)Nc3sc4c(c3C(=O)NCc3ccccc3)CCCCCC4)csc2C1	PC-id_28963309,CoCoCo_6798020,ZINC22_20467871	534.776	SUDPUTUDQMISKK-OAQYLSRUSA-N	00000000100010110100000000010010000000000000000000000000	31-01-156250
CC(C)(C)[C@H]1CCc2c(C(=O)Nc3sc4c(c3C(=O)NCc3ccccc3)CCCCCC4)csc2C1	ZINC22_20467872,PC-id_28963310,CoCoCo_6798021	534.776	SUDPUTUDQMISKK-NRFANRHFSA-N	00000000100010110100000000010010000000000000000000000000	31-01-156251
CCOC(=O)c1c(Nc2ccc(cc2Cl)I)sc2c1CC(C)(C)CNC2=S	PC-id_87603795,SCHEMBL3972732	534.862	PUVNJGPMCGYEHG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156252
c1(c(CCCCCCCCCCCCCCC)cc2-c1ccccc2)CCCCCCCCCCCCCC	PC-id_19996668	534.941	GZDMYTRVZTUPPE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156253
c1(CCCCCCCCCCCCCCC)c(CCCCCCCCCCCCCC)cc2-c1ccccc2	PC-id_19996681	534.941	QVBGWIMCFNHADP-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156254
C=C/C=C(/OC(F)(F)F)C=C/C[C@@H]1CCCCn2c1nc(n2)Nc1ccc(c(c1)OC)n1cnc(c1)Cl	SCHEMBL15062281	534.961	NZKZKPDMYHBZAM-JSZRCGJOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156255
C/C=C(/OC(F)(F)F)C=C/C(=C)[C@@H]1CCCCn2c1nc(n2)Nc1ccc(c(c1)OC)n1cnc(c1)Cl	PC-id_144028664	534.961	DVBLNKLUQDVMAT-HKSOKFLYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156256
COc1c(ccc(c1)Nc1nn2CCCCC(c2n1)CC=CC(=CC=C)OC(F)(F)F)n1cc(nc1)Cl	PC-id_89653082	534.961	NZKZKPDMYHBZAM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156257
C1CC(=O)NC=CC(=CC=Cc2cnc([nH]2)C(CC=C1)NC(=O)C=Cc1c(ccc(c1)Cl)n1cnnn1)F	PC-id_87368277,SCHEMBL2302091	534.973	YRPGTNYEAQBBJX-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-156258
C1CC(=O)NC=CC=C(C=Cc2cnc([nH]2)C(CC=C1)NC(=O)C=Cc1c(ccc(c1)Cl)n1cnnn1)F	PC-id_87368860,SCHEMBL2306672	534.973	JNQNBUZYBDDUMP-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-156259
COC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCC2	EMOLS-id_43679928,ZINC22_3302995,MCULE-1992705592,CoCoCo_2787373,PC-id_2418606	535.032	BHJXLFJENYKOLR-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-156260
Clc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC)C1CC1	PC-id_20176738	535.046	QLQGWIUJAZOUDC-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-156261
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)c(OC)cc1	PC-id_19731556	535.079	CLRSDJOYRWRBRN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156262
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)c(OC)cc1	PC-id_19731591	535.079	CCPTYJOLFYZJQN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156263
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)c(OC)cc1	PC-id_19731491	535.079	IWOJDXXPPYNWPM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156264
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)cc1	PC-id_19733446	535.079	HSGCZHHSSHPKQF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156265
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc1)C	PC-id_17305502	535.079	RGZUNHQMTFRLHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156266
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc1)C	PC-id_20121881	535.079	SGNIPNLQTFJPKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156267
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)cc1	PC-id_20121709	535.079	GFGRYQQZOQDFOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156268
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cc1	PC-id_19733391	535.079	XHWSFSNOASUFJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156269
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)C)ccc1	PC-id_20122550	535.079	LSSYDZAMRUWJCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156270
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)cccc1	PC-id_19631873	535.079	NZDPKWVHSPPPLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156271
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc(cc1)C	PC-id_20129026	535.079	HRCJOPLQRHGZDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156272
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)cccc1	PC-id_19631902	535.079	LLULLXIFWZTWHP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156273
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)C)cccc1	PC-id_19638536	535.079	LJDZUGCARRWYFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156274
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cccc1	PC-id_19631817	535.079	VHPVOJAKICVTRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156275
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)c2C)C)c(F)ccc1	PC-id_20167039	535.097	YJYMPCFPMDGFFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156276
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)c2C)C)c(F)ccc1	PC-id_20167032	535.097	XKFMORJTPVCTJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156277
ClC1=C(CCCC1=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C)/C=C
/C2C(=CC(=CC=C2C)C(C)C)C(=C1)C	PC-id_59037831	535.201	BQVHKOSWVWTBEM-XUBPVPONSA-N	00000011100011000110000000000110000000000000000000000000	31-01-156278
ClC1=C(CCCC1=Cc1c2-c(c(c1)C)cc(C(C)C)ccc2C)C=C1C2C(=CC(=CC=C2C)C(C)C)C(=C1)C	PC-id_72497279	535.201	BQVHKOSWVWTBEM-UHFFFAOYSA-N	00000011100011000110000000000110000000000000000000000000	31-01-156279
C1CC(CCC1CCN2CCC3=C(CC2)SC(=N3)OCC(F)(F)F)CC(=O)C4=CC=CC5=C4NC(=O)C5	PC-id_162251711	535.212	ZYBQXDCTVSOIAY-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-156280
CC1=NC2=C(O1)C=CC(=C2)C(=O)CC3CCC(CC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F	PC-id_148182012	535.212	KEPBAZTYYXVFOB-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156281
CC1=NC2=C(O1)C=C(C=C2)C(=O)CC3CCC(CC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F	PC-id_160533225	535.212	QVVAKOSVBDRTSE-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156282
CN1C2=C(C=CC=C2N=N1)C(=O)CC3CCC(CC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F	PC-id_160243635	535.223	PLYQGDNRNZKFQZ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156283
CC1=C(N2C(=NN=C2C(CN1)(C)C)C)/C(=C(/C3=C4C=CN(C4=CC(=C3)F)CCOC)C(C)COC(F)F)/F	PC-id_153394774	535.257	AVAYPYUIYGRYTB-FCQUAONHSA-N	00000000100000100111000001100010000000000000000000000000	31-01-156284
c1(NC(=O)c2cc(c(Br)s2)Br)sc2c(CCCCCCC2)c1C(=O)OCC	CoCoCo_6814371,TIMTEC63129,PC-id_4250783,EMOLS-id_4186916,ZINC22_8455366,SPECS-id_AK-968/41923837,MCULE-1919172000	535.313	AUIWPAGVZHGPMI-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-156285
COC(=O)C1CC2CCC(C1)N2C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(Cl)cc(c1)Cl	PC-id_140700526	535.42	GQGBPWAPFLEYBN-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-156286
COc1cc(OC(F)(F)F)ccc1COC(=O)N1CCc2cc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1	PC-id_118394503,BindingDB-id_913887,SCHEMBL17112939	535.476	AXLWUENMTKLWHA-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-156287
C#CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1C)CCCCCC2	ZINC22_409015991	535.495	QCHREIOIHRPSFH-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156288
C#CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)Nc1cccc(C)c1)CCCCCC2	ZINC22_409012944	535.495	JIWACIZWSKICBF-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156289
C#CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCCCC2	ZINC22_409018362	535.495	UTOHUCVBIBCEIW-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156290
CCC1CCC(=O)c2c(N(C1=O)CC)nc(n2Cc1ccc(c(c1)Br)O)NC1CCSCC1	PC-id_143232032	535.497	XSOPSBBKSSPOGR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156291
CCN1COCN(C(=O)c2c1nc(n2Cc1cnc(cc1)C)Oc1cc(ccc1)OC(F)(F)F)CCCO	PC-id_135268791,SCHEMBL20431946	535.516	WHIXLUKQJDDYCA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-156292
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1)C(=O)OC	PC-id_19678372	535.532	ZOHUVJIOYQCNHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156293
[O-][N+](=O)c1nc(n(c1N1CCN(CC1)CCCn1nnc2c1c(=O)[nH]c(nc2=O)N)Cc1ccccc1)CC	PC-id_71620246	535.558	YJIWORPGVBEEAU-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-156294
Fc1ccc(CN2CCCn3nc(cc3C2=O)C(=O)N(CCC(=O)NCc2cc3OCOc3cc2)CC)cc1	PC-id_42855048	535.567	ZOJLAZGOSFJDOM-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-156295
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)cc(OC)c1)C(=O)OC	PC-id_4172507	535.59	DSIUFNLXCOYHQG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156296
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)c(OC)cc1)C(=O)OC	PC-id_3484587	535.59	OIMOLJXYXFMRQP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156297
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(OC)cccc1OC)C(=O)OC	PC-id_5050788	535.59	HILPKUBZHKUFPI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156298
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(OC)ccc(OC)c1)C(=O)OC	PC-id_5057978	535.59	LALBPXAVVYEPEY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156299
o1c2-c(c(C(=C(C#N)C#N)C(=c3ccc(=C(C#N)C#N)cc3)c3ccc(N(C)C)cc3)c1=O)cc(C(C)C)ccc2	PC-id_57338927	535.595	ZBFWXHDYBOGXKM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156300
O=C1N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)n2nnc(C(=O)N[C@H]1CCCCN)c2)C=O	PC-id_73213553	535.6	ULRQUPYZGNJOKQ-JYJNAYRXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156301
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C(F)(F)F)C#N	PC-id_21164363	535.605	YIYBWMNCIWFFSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156302
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)C)C#N	PC-id_21164254	535.605	UOPGRTLNDQTRHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156303
C1CC=C[C@H](C1)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCn2cc(C[C@@H](C(=O)N1)NC(=O)O)nn2)C(=O)S	PC-id_134823832	535.616	RXSQNXIFRYWBIH-UBDQQSCGSA-N	00000000100011000101000000000010000000000000000000000000	31-01-156304
Cc1nnc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)s1	BindingDB-id_989465,SCHEMBL21040752	535.622	MCFFIBILMUFGPB-GGYDESQDSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156305
O=C(Cc1nnc(s1)C)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670412	535.622	MCFFIBILMUFGPB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156306
Cc1nn2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671863	535.625	FYDOPSSXYBIDOA-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156307
Cc1nn2c(c1)c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21042287	535.625	FYDOPSSXYBIDOA-WGSAOQKQSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156308
Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)(F)F)sc3CC2)CC1	SCHEMBL21041786,BindingDB-id_989509	535.625	PVZYVDCGRBZEMH-IYARVYRRSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156309
Cn1cc2c(n1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670361	535.625	AGZYYCKYRUMDHQ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156310
Cn1cc2c(n1)cc(cc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671195	535.625	GCQPHEFVBTXKEG-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156311
Cn1cc2c(n1)c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21040700	535.625	AGZYYCKYRUMDHQ-UAPYVXQJSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156312
Cn1cc2c(n1)cc(cc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041567	535.625	GCQPHEFVBTXKEG-IRJFHVNHSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156313
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671403	535.625	PVZYVDCGRBZEMH-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156314
Cn1ncc2c1c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671253	535.625	WZAFXSPQZWURLZ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156315
Cn1ncc2c1c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041629	535.625	WZAFXSPQZWURLZ-UAPYVXQJSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156316
Fc1ccc(cc1)C(c1ccc(cc1)F)(C1CCN(CC1)CCCCn1ccc2c1C(=O)N(C)CCC2=O)O	SCHEMBL9038986,PC-id_19937401	535.625	VXHYMBCYXWSXQX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-156317
O=C(c1ccc2c(c1)n(C)nc2)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671264	535.625	GSHLHIZLDVAIHP-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156318
O=C(c1ccc2c(c1)n(C)nc2)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041641	535.625	GSHLHIZLDVAIHP-IRJFHVNHSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156319
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OC)c1ccc(OC)cc1	PC-id_16924007	535.633	TUNAUGNHBXHICU-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-156320
N#Cc1c(NC(=O)COC(=O)c2cccc(c2)NS(=O)(=O)/C=Cc2ccccc2)sc2c1CCCCC2	CoCoCo_3149172	535.634	LWKLZLMYXIKCBQ-PFONDFGASA-N	00000000100000110100000000000010000000000000000000000000	31-01-156321
N#Cc1c(NC(=O)COC(=O)c2cccc(c2)NS(=O)(=O)C=Cc2ccccc2)sc2c1CCCCC2	EMOLS-id_43792907,PC-id_4832757,MCULE-8615477220	535.634	LWKLZLMYXIKCBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156322
N#Cc1c(NC(=O)COC(=O)c2cccc(NS(=O)(=O)/C=C/c3ccccc3)c2)sc2c1CCCCC2	CoCoCo_3149171,ZINC22_3424240,PC-id_2543552	535.635	LWKLZLMYXIKCBQ-CCEZHUSRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156323
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1occc1)C#N)C(=O)OCC	PC-id_24084203	535.638	KDSJMNRVYCLKIR-UHFFFAOYSA-N	00000000101000101100100000000010000000000000000000000000	31-01-156324
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1occc1)C#N)C(=O)OC	PC-id_23775355	535.638	NALGVMVOOQUJIB-UHFFFAOYSA-N	00000000101000101100100000000010000000000000000000000000	31-01-156325
O=C1N[C@@H](CCCN)C(=O)N[C@@H](CCCCNC(=O)CCCc2nnn(C(=O)N[C@H]1CCCCN)c2)C=O	PC-id_73213994	535.64	RJHYCSOPGOKUID-UFYCRDLUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156326
CCOc1c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc([N+](=O)[O-])cc1OC	ZINC22_408970742	535.654	CWMQAOWYNMOXFX-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156327
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1C)cccc2)C(=O)OC	PC-id_4351842	535.656	PKPDPDQTMSDYBQ-WJTDDFOZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-156328
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc(F)c2)C(=O)OC	PC-id_4161146	535.674	GMSURYRWUAKOFU-PNHLSOANSA-N	00000000100000100101000001000010000000000000000000000000	31-01-156329
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc(F)c2)C(=O)OCC	PC-id_3660052	535.674	XLSKJVLDHBACJF-PNHLSOANSA-N	00000000100000100101000001000010000000000000000000000000	31-01-156330
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccc(OC)cc1	PC-id_22200444	535.676	WEYBQCSVQICKLK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156331
S(=O)(=O)(N1CCN(CC1)CC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC)c1ccc(OC)cc1	PC-id_22200392	535.676	OAQZWEOEERQKJT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156332
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(c2ccc(OC)cc2)ccc1C#N)C(=O)OCC	PC-id_24111202	535.678	DUQKVEPOJJSKTG-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-156333
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(c2ccc(OC)cc2)ccc1C#N)C(=O)OC	PC-id_24084204	535.678	IWCIAJCNGSAFNT-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-156334
SCCCC(Cn1cnc2c1CCC(C=C2)C#N)CCCN(C(=O)O)CC1N=NN(C1)c1cccc(c1)C	PC-id_144512812	535.704	HFWHNDKBQRQXAQ-UHFFFAOYSA-N	00000011100000110111100000000010000000000000000000000000	31-01-156335
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC=C)C#N	PC-id_19639307	535.724	GUGOJEZLQDEXPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156336
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC=C)C#N	PC-id_19632826	535.724	XTBKOLGRRRTPTD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156337
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC)C#N	PC-id_19642207	535.724	IUXNRABUZJAPQX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-156338
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC=C)C#N	PC-id_17270856	535.724	VIVCSQHXWIQYKX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156339
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC=C)C#N	PC-id_17302291	535.724	OGBSJNSTFJEATK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156340
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC=C)C#N	PC-id_17265622	535.724	XSMQYVTUECVSSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156341
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC=C)C#N	PC-id_19637057	535.724	RPRZLCJBAKCXRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156342
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC=C)C#N	PC-id_19637397	535.724	DSFZURSFFRFKDW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156343
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC=C)C#N	PC-id_19637738	535.724	KBTYKFOAVKRXFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156344
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(CC)cc1)C)CC=C)C#N	PC-id_19639094	535.724	NAXGLBXTFVRHAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156345
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC=C)C#N	PC-id_17269041	535.724	KURRQLLKTTZAAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156346
O=C(C[C@H](Cc1ccccc1)CNC(=O)CCN1CCOCC1)CCc1nc2c(s1)C=C(CC=C2)C(C)C	PC-id_142442497	535.741	CUUDDIJBDMLKCN-VWLOTQADSA-N	00000000100010110111000000000010000000000000000000000000	31-01-156347
COC(=O)c1c(NC(=S)N2CCN(CC2)S(=O)(=O)c2cc(C)ccc2C)sc2CCCCCCc12	MCULE-7309069505,ZINC22_97945730,PC-id_17269562,TIMTEC220843,CoCoCo_6835911,EMOLS-id_4187124	535.742	IODIWYGHKKDCDR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156348
O=C(c1c(sc2c1CCCCC2)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCCCC1	PC-id_143832004	535.742	VYEDDVKVNPROKO-LJQANCHMSA-N	00000000100110000100000000000010000000000000000000000000	31-01-156349
O=C(c1c(sc2c1CCCCCC2)NC(=O)C1CCCN1S(=O)(=O)c1cccs1)N1CCCCC1	PC-id_143831971	535.742	INKITBCPIXRAAH-UHFFFAOYSA-N	00000010100110000100000000000010000000000000000000000000	31-01-156350
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC)c1ccc(cc1)C	PC-id_20180928	535.742	YBTMCIXVQMIFQB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156351
CN(CCC(C(=O)O)CC(=O)C1=CCC=C(C=C1)c1ccc(cc1)Nc1nc2c(s1)C=C(CC=C2)Cl)C	PC-id_142969115	536.085	FSFFHYDETVQWAO-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-156352
c1(C(=O)Nc2sc3c(CCCCCCCCCC3)c2C(=O)OC(C)C)c(Cl)c2c(cc(cc2)F)s1	TIMTEC448835,MCULE-1006603019,PC-id_4443828,ZINC22_97945754,CoCoCo_6809110,EMOLS-id_4187228	536.121	SIKBCWLDGUUDBQ-UHFFFAOYSA-N	00000000100000100100000001000010000000000000000000000000	31-01-156353
CCCCCCCCCC(=O)OC(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)Cl	PC-id_102055017	536.144	CJXHDKCBRHTPRW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156354
CCCCN1CC(=O)N(C2=C(C1=O)N(C(=N2)OC3=CC(=CC=C3)OC(F)(F)F)CC4=CC=C(C=C4)Cl)C	PC-id_161964371	536.144	KUEVMDWXRUFGHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156355
CN1C2=C(C=CC(=C2)C(=O)C[C@H]3CC[C@@H](OC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F)C=N1	PC-id_148372563	536.207	LMOYAYRDEQQVQQ-YLJYHZDGSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156356
CN1C=C2C=CC(=CC2=N1)C(=O)C[C@H]3CC[C@@H](OC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F	PC-id_147462581	536.207	FAFCESGDQSRTRH-YLJYHZDGSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156357
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)C(=O)N5CC(C5)(F)F	PC-id_162048238	536.209	YYESHELWMOKZBS-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-156358
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)c(F)cc(Br)c1	PC-id_19679871	536.276	CYUVTRXLGJPRCG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156359
Brc1c2sc(CS(=O)(=O)CCCCCCCCCCS(=O)(=O)C2)c1Br	PC-id_10744900	536.362	VRIOUKSCFNLZMD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156360
C1CN(Cc2cc(nn2C1)C(=O)N1CCC(CC1)F)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16094142,PC-id_86345884	536.443	KQOZLVDOFWFRSD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156361
CC(C)OC(=O)ON1CCCC(c2c1n(nc2)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C	PC-id_87735147,SCHEMBL4836948	536.467	LPORQDYYBBCAQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156362
Cc1ccccc1NC(=O)c1c(/N=C/c2ccc(OCC#N)c(Br)c2)sc2c1CCCCCC2	ZINC22_409020190	536.483	ZSQOBCMCVCDUBT-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156363
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(OCC#N)c(Br)c3)sc3c2CCCCCC3)c1	ZINC22_409016652	536.483	RBDWZOADYOIGOJ-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156364
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(OCC#N)c(Br)c3)sc3c2CCCCCC3)cc1	ZINC22_409011486	536.483	FSWCSAGXTACHRR-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156365
FC1CCN(CC1)C(c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	PC-id_140700366	536.486	OSALFMPHEREORQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156366
OC(=O)C(PC1=c2[pH]c(nc2=CCC=C1)CCc1sc(nc1C)c1ccc(cc1)C(F)(F)F)(C)C	PC-id_143069324	536.486	OZFADZXMYMDASH-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-156367
Clc1c(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)ccc(Cl)c1	PC-id_19633057	536.497	VBAMZXSACSQGBQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156368
Clc1c(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc(Cl)cc1	PC-id_21166984	536.497	DEIDSXGNGXDIEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156369
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)C)ccc(Cl)c1	PC-id_19639736	536.497	SGTYYYSCNZASFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156370
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)C)cc(Cl)cc1	PC-id_17265177	536.497	NONIQTMYFPUDRD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156371
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)ccc(Cl)c1	PC-id_19632947	536.497	IHXGXUKHOLKYBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156372
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc(Cl)cc1	PC-id_21166869	536.497	HNELOPTUTZFLFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156373
CCOC(=O)C(c1ccc(cc1)[N+](=O)[O-])c1ccc2-c(cc1)c(c(c2C(=O)OCC)NC(=O)C)C(=O)OCC	PC-id_102461570	536.53	ILVYMPZPDRRDMA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156374
CC(OC(=O)N1CCCC(c2c1c(C)cs2)N(C(=O)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	SCHEMBL4775471,PC-id_11541105	536.53	IOKGOSSCEQUFLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156375
O=C(C(=O)c1c(nc2-c1ccccc2)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	PC-id_101457275	536.559	KIGQOROUCRLKDK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156376
COC1(OC(COC(=O)C)CC(C1OC(=O)C)OC(=O)C)c1cc(ccc1O)Cc1cc2-c(c1)ccccc2	PC-id_71196336,SCHEMBL14536532	536.57	WLNOFWQHDWDXOX-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-156377
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1ccc(cc1)O	PC-id_141350341	536.571	HJJRHXNIAKGDEK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156378
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1ccccc1O	PC-id_141350346	536.571	WINMAMJKHSTDFI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156379
COc1cc(ccc1OC(=O)COc1ccc(cc1)Oc1ccccc1)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3734581,PC-id_6106097	536.578	BACKFALVKDQNTJ-PTGBLXJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156380
COc1cc(ccc1OC(=O)COc1ccc(cc1)Oc1ccccc1)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3734582,PC-id_75408740	536.578	BACKFALVKDQNTJ-NKFKGCMQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156381
COc1cc(ccc1OC(=O)COc1ccc(cc1)Oc1ccccc1)C=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_300999163,PC-id_4422130,MCULE-8431184596	536.578	BACKFALVKDQNTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156382
Cc1nc2c(o1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671163	536.61	IYZQJYDXSAOXNM-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156383
Cc1nc2c(o1)cc(cc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671936	536.61	ODBNALJEOBWLEG-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156384
Cc1nc2c(o1)c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041534	536.61	IYZQJYDXSAOXNM-IYARVYRRSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156385
Cc1nc2c(o1)cc(cc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21042361	536.61	ODBNALJEOBWLEG-UAPYVXQJSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156386
Cc1oc2c(n1)cc(cc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671500	536.61	UGQPJTOGSBETHH-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156387
Cc1oc2c(n1)cc(cc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041886	536.61	UGQPJTOGSBETHH-UAPYVXQJSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156388
O=C1Cc2c(N1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671184	536.61	BKIPVQWXLBJMPI-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-156389
O=C1Cc2c(N1)c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041555	536.61	BKIPVQWXLBJMPI-SAABIXHNSA-N	00000010100010100101000000001010000000000000000000000000	31-01-156390
Cn1nnc2c1c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671916	536.613	ULTNWSKVTZSJET-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156391
Cn1nnc2c1c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21042341	536.613	ULTNWSKVTZSJET-QAQDUYKDSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156392
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC(F)F)cc1)C)C(=O)OCC	PC-id_17307640	536.614	RDJMRJRVTBUARA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156393
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)C)C(=O)OC	PC-id_19635441	536.614	UPZCFIFTZIZKCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156394
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC(F)F)cc1)C)C(=O)OC	PC-id_19643109	536.614	RAWQTIYDYSNMBE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156395
OC1C(c2c(CC(=CCOCc3ccc(OC)cc3)C(OCc3ccc(OC)cc3)CC1O)coc2)CCC	PC-id_74425806	536.656	ADWKSBFXHSLMRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156396
O[C@H]1[C@H](c2c(C/C(=C/COCc3ccc(OC)cc3)/[C@H](OCc3ccc(OC)cc3)C[C@H]1O)coc2)CCC	PC-id_25170684	536.656	ADWKSBFXHSLMRR-CTXUKJNHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156397
Cc1ccccc1c1ccc(cc1)C(=O)N1CCC(CC1)C[n+]1nc2-c(c(c(ccc2)C(=NCCOC)[O-])C)c1	PC-id_137285142	536.664	GGGCHKGCIQQJLN-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-156398
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc(cc2)C)ccc1)C(=O)OCC	PC-id_18911519	536.705	SUWBGACALFSLFM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156419
COCCNC(=O)C1=C(C)c2cn(nc2C=C=C1)CC1CCN(CC1)C(=O)c1ccc(cc1)c1ccccc1C	SCHEMBL19791619	536.664	JEKLKQMYOUJEQR-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-156399
O=C(CSc1nnc2n1CCCCC2)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	EMOLS-id_43775520,PC-id_16287700,CoCoCo_3082131,MCULE-4653627087,ZINC22_103067142	536.667	HECOLXYOLALBHO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156400
Cc1c2c(c(s1)C)OCC(CO2)(COCCOCCOCCOC)COCCOCCOCCOC	SCHEMBL19766992,PC-id_134166667	536.676	TZFJDRKNCKMVHK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156401
s1c2c(CCCCC2)c(c1NC(=O)CSc1c2c(n(Cc3ccc(F)cc3)c1)cccc2)C(=O)OCC	PC-id_4672333	536.681	CMSQTODUJZPSGC-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-156402
s1c2c(CCCCC2)c(c1NC(=O)CSc1c2c(n(Cc3cc(F)ccc3)c1)cccc2)C(=O)OCC	PC-id_4098359	536.681	ZFCFSYBCQXQZDH-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-156403
O=C(Cc1cnc(s1)C)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC1CC(C1)(F)F	PC-id_145452044	536.701	GIJCOQCRQNNTRC-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-156404
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C)ccc1)CC)C(=O)OC	PC-id_18911285	536.705	LWRGZAZMARWYMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156405
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(ccc2)C)ccc1)CC)C(=O)OC	PC-id_18911417	536.705	YAYNWQVLEDHMHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156406
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(cc2)C)ccc1)CC)C(=O)OC	PC-id_18911549	536.705	AXUWEZWKDICBHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156407
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C)ccc1)C)C(=O)OCC	PC-id_18911220	536.705	BOZANBKQUFYGEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156408
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(ccc2)C)ccc1)C)C(=O)OCC	PC-id_18911352	536.705	LLVYYWTULYIEOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156409
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(cc2)C)ccc1)C)C(=O)OCC	PC-id_18911484	536.705	ACFOQCUAJXLRTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156410
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)Cc2ccccc2)ccc1)CC)C(=O)OC	PC-id_18911021	536.705	YPYKQZSITREDJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156411
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)Cc2ccccc2)ccc1)C)C(=O)OCC	PC-id_18910956	536.705	FCHLBPZYSLUXKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156412
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC)ccc1)c1ccccc1)C(=O)OC	PC-id_18909074	536.705	GFYNZSYRIUQPBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156413
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C)ccc1)C)C(=O)OC	PC-id_18911221	536.705	CTIILPNGLKOCAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156414
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(ccc2)C)ccc1)C)C(=O)OC	PC-id_18911353	536.705	HPIVWLJZLSUFLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156415
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(cc2)C)ccc1)C)C(=O)OC	PC-id_18911485	536.705	RMDRAXXZSJZACZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156416
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(cccc2)C)ccc1)C(=O)OCC	PC-id_18911255	536.705	XNEDNQUQRHSKKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156417
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)Cc2ccccc2)ccc1)C)C(=O)OC	PC-id_18910957	536.705	NAUPOEHHUOHDBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156420
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)Cc2ccccc2)ccc1)C(=O)OCC	PC-id_18910991	536.705	DCDNXMPHWJOMLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156421
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_18908813	536.705	HORYMEBHNPGPBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156422
COc1ccccc1N1CCN(CC1)Cc1cc(c2-c1ccccc2)CN1CCN(CC1)c1ccccc1OC	PC-id_71454295,BindingDB_PC-id_71454295	536.707	HVGNYVOUQOKFLU-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-156423
S=CC/C=C/C1CC(=O)N[C@@H](CC)C(=O)N[C@@H](C(C)C)C(=O)NC(c2nc(C(=O)O1)cs2)C(C)(C)C	PC-id_122216915	536.707	YMBFZJFYIMBCQV-VXJKLEQISA-N	00000000100000000101000000000010000000000000000000000000	31-01-156424
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(nn1)NC(=O)c1sccc1)C)C(=O)OCC	PC-id_23966978	536.71	UUEMSSBWMDYPKL-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-156425
Cc1cccc(COc2ccc(/C=N/c3sc4c(c3C(=O)Nc3cccc(C)c3C)CCCCCC4)cc2)c1	ZINC22_409014012	536.727	LQCBVZGBEDXJDE-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156426
Cc1cccc(COc2ccc(/C=N/c3sc4c(c3C(=O)Nc3cc(C)ccc3C)CCCCCC4)cc2)c1	ZINC22_409019773	536.727	XCQOSXYXKJCXPZ-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156427
Cc1cccc(COc2ccc(/C=N/c3sc4c(c3C(=O)Nc3cc(C)cc(C)c3)CCCCCC4)cc2)c1	ZINC22_409010114	536.727	ACEJKLWEEAIGKL-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156428
Cc1cccc(COc2ccc(/C=N/c3sc4c(c3C(=O)Nc3ccc(C)c(C)c3)CCCCCC4)cc2)c1	ZINC22_409020107	536.727	ZGFSPAQZFOROOD-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156429
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)C2CCCCC2)nn1)C)C(=O)OCC	PC-id_23880939	536.73	SBFGCJCOVDAMQV-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156430
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)CC2CCCCC2)nn1)C(=O)OCC	PC-id_24107122	536.73	HGCIFSMPSMCVOQ-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156431
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)CCC2CCCC2)nn1)C(=O)OCC	PC-id_23742180	536.73	AXKLXRGOILNGRH-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-156432
C1COCCSC2=C(SCCOCCOCCO1)SC(=C(c1ccccn1)c1ccccn1)S2	CT-id_4071459,4071459_OpenMolecule,PC-id_102407743	536.75	VZYZTDAHIMNGLL-UHFFFAOYSA-N	00000011000000101111000000000010000000000000000000000000	31-01-156433
c1(NC(=O)CCCCCCCC(=O)Nc2sc3c(CCCCC3)c2C#N)sc2c(CCCCC2)c1C#N	CoCoCo_6928224,ZINC22_98043781,SPECS-id_AL-281/15328138,MCULE-6023857681,PC-id_4200058,EMOLS-id_8249942	536.752	LDSXGKLEMZVQFW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-156434
C/C(=CCC/C=C(/CC/C=C(/CCC=C(C)C)C)C)/CC/C=C(/CCC=C(Cc1ccc2-c1ccccc2)C)C	PC-id_140059829	536.873	TYBPXZFJVPHFDB-MAUWLNFTSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156435
S1C(=Cc2c3-c(c(c2)/C=C/2SC4=C(S2)SCCS4)ccccc3)SC2=C1SCCS2	PC-id_15890963	536.882	ZXEPYOHLZIGBHC-UHFFFAOYSA-N	00000011100011000111000000010010000000000000000000000000	31-01-156436
ClCS(=O)(=O)N1CCc2c(C1)c(n[nH]2)C(C1CN(Cc2c(C1)[nH]nc2C(C)C)CC(F)(F)F)(C)C	SCHEMBL19297274	537.042	SAKHYUXVBLRSIY-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-156437
ClCS(=O)(=O)N1CCc2c(C1)c(n[nH]2)C(CC1CN(Cc2c(C1)[nH]nc2C(C)C)CC(F)(F)F)C	SCHEMBL18798830	537.042	AATZSVODLZSIIL-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-156438
CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3c(s2)CCN(C(=O)CO)CC3)ncc1Cl	CHEMBL3330854,PC-id_118713253,BindingDB_PC-id_118713253	537.055	NWGMBYQDXGHADH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156439
Clc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C	PC-id_20176575	537.062	JVYOZYONLWPZEN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156440
CN1CCc2c(CC1)cc(s2)C(=O)N[C@H](c1nc2c([nH]1)cc(cc2)Cl)CCC(=O)OCc1ccccc1	PC-id_145508649	537.073	BWMHDKVZDLITPT-QFIPXVFZSA-N	00000000100000110101000001000010000000000000000000000000	31-01-156441
CN1CCc2c(CC1)cc(s2)C(=O)N1CC(C[C@H]1COC(=O)N(C)C)C=NC(=O)c1ccc(s1)Cl	PC-id_145481259	537.094	XJBRGERDEFKCMM-LWKPJOBUSA-N	00000010100100000100000000000010000000000000000000000000	31-01-156442
C=C/C=C(C=C
/CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(cc1C)CNC(=O)CCC1CCNCC1)/Cl	PC-id_143188965	537.096	NEVKBPKKBIHDLC-KYVBTELVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156443
C1C[C@@H](OC[C@H]1CC(=O)C2=CC=CC3=C2NC(=O)C3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F	PC-id_148380473	537.191	LOAVJHCMNMTMGT-SJLPKXTDSA-N	00000010100010100101000000001010000000000000000000000000	31-01-156444
CC1=NC2=CC=CC(=C2O1)C(=O)C[C@H]3CC[C@@H](OC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F	PC-id_160770922	537.191	RZHNVOBHTXETJM-QZTJIDSGSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156445
CC1=NC2=C(O1)C=CC(=C2)C(=O)C[C@H]3CC[C@@H](OC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F	PC-id_161051924	537.191	UCGBPHLWPMMEOL-IEBWSBKVSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156446
C[C@@H](CCC1=CC=C(C=C1)F)[C@@H]/2CCCS(=N)(=O)C3=CN(C(=C3/C=C2)C(=O)NC4=CC(=NC(=C4)F)C#N)C	PC-id_154991344	537.201	CWJDIISOSGXDRJ-FNMIIOJVSA-N	00000000100000111110000000000010000000000000000000000000	31-01-156447
CC1=NN2C=CC=C(C2=C1)C(=O)N[C@H]3CCC(OC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F	PC-id_148308604	537.202	LAPJQCOVOJOXOO-ZENAZSQFSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156448
CC1CCC(N1S(=O)(=O)C2=C3C=CCCCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278662	537.211	QFULSJJXTHXLGE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156449
CC[C@H](C)[C@H]1C(=O)N[C@H](C2=NC(=NN2CCN(CCCC(=O)N1)C(=O)C3=NNC(=O)N3)C)CC4=CC=CC=C4	PC-id_165428632	537.281	AOTYKKBRXVTWKL-LRQRDZAKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156450
Clc1cc(CC2n3c(nnc3)CCN(C2=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1Cl	SCHEMBL5232486,PC-id_10208966	537.285	CCJZBQWKUNVPMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156451
Clc1cc(ccc1Cl)C[C@H]1C(=O)N(CCc2n1cnn2)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	GLL_PC-id_10208966	537.285	CCJZBQWKUNVPMG-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156452
BrP(CCCC1n2c(noc2=O)CCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_59923012	537.428	DSJZMHUHZIDMOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156453
CCC(CCNC(Oc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCCC2)CC)I	PC-id_69661696,SCHEMBL6092679	537.434	GZMFMEWARDNYAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156454
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nn(Cc2ccc(F)cc2)c1	PC-id_20172913	537.468	PYSBJOQBHIIQJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156455
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nn(Cc2c(F)cccc2)c1	PC-id_20172546	537.468	DIQMJTAVBJUPFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156456
OCCN(C(=O)CONC(=O)Cc1ccc2-c(cc1)c(c(c2OC(=O)OCC)N)OC(=O)OCC)CCO	SCHEMBL7310639	537.516	RHTKRUZJEBCZQO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156457
o1c2-c(c(C(=c3ccc(=C(C#N)C#N)cc3)C(=C(C#N)C#N)c3ccc([N+](=O)[O-])cc3)c1=O)cc(C(C)C)ccc2	PC-id_57338924	537.524	UPFNEXXFLHRYPB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156458
Clc1cc(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2C)C)ccc1Cl	PC-id_19677759	537.525	DOWIUYRRWZIYNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156459
Clc1cc(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2)ccc1Cl	PC-id_20166721	537.525	MJCDUXNAVQLILY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156460
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cc2)ccc1Cl	PC-id_20173440	537.525	FWOSHAUQXASGPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156461
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2C)C)ccc(Cl)c1	PC-id_19677853	537.525	LRJYEJONHSVFIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156462
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2C)C)c(Cl)ccc1	PC-id_19679315	537.525	ALZFXFNVGPMPBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156463
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2)ccc(Cl)c1	PC-id_19679405	537.525	WDIUMOWKIQTPNC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156464
Clc1c(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2)c(Cl)ccc1	PC-id_20167767	537.525	KSFTWTRUSWBDTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156465
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cc2)ccc(Cl)c1	PC-id_20172849	537.525	BHLABZPYRBSQOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156466
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn(Cc2c(Cl)cccc2)c1	PC-id_20172672	537.525	PXDYRKMNGBBRBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156467
O=C1NCC(=O)NC(CC(=O)O)C(=O)NCc2nnn(CC(=O)NC(C(=O)NC1CCCN=C(N)N)C)c2	PC-id_74392732	537.53	YUPYIDNNKGPRME-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156468
O=C1NCC(=O)N[C@H](CC(=O)O)C(=O)NCc2nnn(CC(=O)N[C@H](C(=O)N[C@@H]1CCCN=C(N)N)C)c2	PC-id_25136807	537.53	YUPYIDNNKGPRME-CYZMBNFOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156469
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2occc2)cc1)C)C(=O)OCC	PC-id_5082155	537.584	JEPRTSOLSXRLAA-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-156470
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2occc2)cc1)C)C(=O)OCC	PC-id_9606855	537.584	JEPRTSOLSXRLAA-MUFRIFMGSA-N	00000000101000110100000000000010000000000000000000000000	31-01-156471
Cc1cc2c(cccn2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)(F)F)sc3CC2)OC1	BindingDB-id_989440,PC-id_138671285,SCHEMBL21041664	537.598	LAPJQCOVOJOXOO-ZWKOTPCHSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156472
Cn1cc2c(n1)cc(cc2)C(=O)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670760,SCHEMBL21041107	537.598	XQKMAIMGVDDLCN-RBUKOAKNSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156473
Cn1nc2c(c1)c(ccc2)C(=O)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041514,PC-id_138671144	537.598	QADLQTKTMZAYCB-DLBZAZTESA-N	00000000100010100101000001000010000000000000000000000000	31-01-156474
Cn1ncc2c1c(ccc2)C(=O)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670769,SCHEMBL21041116	537.598	IKOPBIVZEHFWGP-ZWKOTPCHSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156475
O=C(c1ccc2c(c1)n(C)nc2)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671540,SCHEMBL21041927	537.598	UINPCABADDADDR-RBUKOAKNSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156476
O=C(C(c1ccccc1)O)OCn1c(nc2c1C=CC(C=C2)(C)F)S(=O)Cc1nccc(c1)OCC1CC1	PC-id_141836472	537.602	OGMZTTHYDKUADR-UHFFFAOYSA-N	00100000100000111111000000000010000000000000000000000000	31-01-156477
O(C(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)C#Cc1c2-c(cc(C(C)C)ccc2)c(c1)C(=O)OC)CC	PC-id_73294623	537.602	AFCAFZPFNKRAGW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156478
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OCc2c(F)cccc2)cc1)C(=O)OCC	PC-id_4182617	537.602	NMFTYBDAPBOCSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156479
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2)cc1)C(=O)OCC	PC-id_9651786	537.602	NMFTYBDAPBOCSR-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156480
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCc2ccc(F)cc2)ccc1)C(=O)OCC	PC-id_5066107	537.602	CTIXPUBZWDMANY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156481
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCc2ccc(F)cc2)ccc1)C(=O)OCC	PC-id_9606089	537.602	CTIXPUBZWDMANY-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156482
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2cc(ccc2)C(F)(F)F)cn1)C(=O)OCC	PC-id_20178521	537.621	DLKIFGUCYJZJQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156483
CCOC(=O)c1cc(=C(OCC)[O])c2=c1ccc(=C(c1ccc3-c1ccccc3)c1ccc3-c1ccccc3)cc2	PC-id_102371885	537.624	JNMDCEXIJUYBGM-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-156484
CCOC(=O)c1cc(=C(OCC)[O-])c2=c1ccc(=C(c1ccc3-c1ccccc3)c1ccc3-c1ccccc3)cc2	PC-id_102371886	537.624	OUPVPVQZGCZBEX-UHFFFAOYSA-M	00000011100000000110000000000010000000000000000000000000	31-01-156485
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc([C+](c1c3-c(cc1)ccccc3)c1c3-c(cc1)ccccc3)cc2)CC	PC-id_11399734	537.624	IIHNMMYZTUMBFN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156486
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OCC)c1ccc(F)cc1	PC-id_16923910	537.624	HNKJDZIYVXVUFY-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-156487
CCC1=CC(=N/C(=C/C(=C)c2ccc(cc2F)c2ccc(cn2)C=O)/N1C)C(=O)N1CCCn2c(C1C)ccc2	PC-id_145178440	537.627	YZPSUXXFNZMVCJ-ACXHZZMFSA-N	00000000100011111101100000000010000000000000000000000000	31-01-156488
O=C(N1CCC/C(=N/OC(=O)c2ccccc2C)/c2c1ccs2)c1ccc(cc1)NC(=O)c1ccccc1C	PC-id_21467172,SCHEMBL6989018	537.629	SRIIHBOXQFWRNB-MKFPQRGTSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156489
s1c2c(N(CCCC2=NOC(=O)c2c(cccc2)C)C(=O)c2ccc(NC(=O)c3c(cccc3)C)cc2)cc1	PC-id_73792896	537.629	SRIIHBOXQFWRNB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156490
CCOC(=O)C1CCCN(C1)C(=O)CCN(CC)C(=O)c1cc2C(=O)N(Cc3ccc(C)cc3)CCCn2n1	EMOLS-id_25388044,PC-id_46049706,MCULE-7144395919	537.65	QFNUZZIFOFJAAD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156491
CCOC(=O)[C@H]1CCCN(C1)C(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)CC	PC-id_93332470	537.65	QFNUZZIFOFJAAD-QHCPKHFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156492
CCOC(=O)[C@@H]1CCCN(C1)C(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)C)CC	PC-id_93332471	537.65	QFNUZZIFOFJAAD-HSZRJFAPSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156493
O(C(=O)C1CCCN(C1)C(=O)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)CC)CC	PC-id_42854999	537.65	DAMGAIMENHEIJU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156494
O(C(=O)C1CCN(CC1)C(=O)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C)CC)CC	PC-id_42854978	537.65	MYNRYRGCIUXFCA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156495
O(C(=O)C1CCN(CC1)C(=O)CCN(C(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C)CC)CC	PC-id_42854998	537.65	BAOIDRPCDZCKMH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156496
C=CCn1c(Cn2nnc3ccccc23)nnc1SCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	MCULE-5999040516,ZINC22_96022198,PC-id_3249828,CoCoCo_3761907,EMOLS-id_48977619	537.657	MWMSLMZJAVINKX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-156497
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(c2[nH]c(c(n2)C)C)cc1)CC)C(=O)OCC	PC-id_23832169	537.67	QKWVRECVKVAJEP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156498
Cc1ccccc1c1ccc(cc1)C(=O)N1CCC(CC1)C[n+]1nc2-c(c(c(ccc2)C(=O)NCCOC)C)c1	PC-id_137285143	537.672	GGGCHKGCIQQJLN-UHFFFAOYSA-O	00000010100010110111100000000010000000000000000000000000	31-01-156499
O=C(COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1)Nc1ccccc1	ZINC22_408972622	537.672	PXQYJPHELHHWGA-QNKGDIEWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156500
[O-]/C(=NS(=O)(=O)c1ccccc1)/Nc1sc2c(c1C(=O)N1CCN(CC1)c1ccccc1)CCCCC2	GD-id_ZINC49708842	537.674	JUXMUBDAQADJTO-UHFFFAOYSA-M	00000000100010110101100000000010000000000000000000000000	31-01-156501
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1ccsc1)C#N)C(=O)OC	PC-id_24001236	537.677	HLPVOWQKDLEAKL-UHFFFAOYSA-N	00000000100100101100100000000010000000000000000000000000	31-01-156502
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1sccc1)C#N)C(=O)OC	PC-id_24165392	537.677	BDPYOVUVYJGSPN-UHFFFAOYSA-N	00000000100100101100100000000010000000000000000000000000	31-01-156503
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)C(=O)N1CC(C1)(F)F	PC-id_138671503	537.689	VGQWJVMCRBOUTH-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-156504
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)C(=O)N1CC(C1)(F)F	SCHEMBL21041889	537.689	VGQWJVMCRBOUTH-IYARVYRRSA-N	00001000100010000101000000000010000000000000000000000000	31-01-156505
CCCCC(=O)N1C[C@@H](Cc2ccccc2)NC(=O)c2c1cn(n2)CCC1CCN(CC1)C(=O)OC(C)(C)C	PC-id_122219994	537.694	QQSSVVQFWJZQPK-XMMPIXPASA-N	00000000100010110101000000000010000000000000000000000000	31-01-156506
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC=C)C#N	PC-id_17307012	537.697	HZXXYPVYLITKMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156507
CCOC(=O)c1c2CCCCCCc2sc1NC(=S)Nc1cccc(c1)S(=O)(=O)N1CCOCC1	CoCoCo_991999,TIMTEC58000,PC-id_2955069,ZINC22_59771769,EMOLS-id_2240163,MCULE-2216429963	537.715	APUXKTCARSTAPA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156508
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC	PC-id_20168819	537.715	VNBLGCZQIQMVJP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156509
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC)c1ccc(OC)cc1	PC-id_19711692	537.715	YBKRUSJOEOOTMR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156510
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC)c1ccc(OC)cc1	PC-id_19711685	537.715	IYOGRQUFGSHZPG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156511
CN1CCCN(CC1)C(=O)[C@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	PC-id_69440255,SCHEMBL5435288	537.717	UJBLXXCASXLURR-RUZDIDTESA-N	00000010100000110101000000000010000000000000000000000000	31-01-156512
s1c2CCCCN(c2cc1)C(=O)c1cc(c(CNC(=O)N2C(CCC2)C(=O)N2CCCN(CC2)C)cc1)C	PC-id_77652922	537.717	UJBLXXCASXLURR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-156513
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC)C#N	PC-id_19639503	537.74	CEGYJUSVJLILKQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156514
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC)C#N	PC-id_17306728	537.74	JXZLTMFLUUSQSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156515
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)C)C#N	PC-id_17306788	537.74	JDFHERZBGURVTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156516
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC)C#N	PC-id_19632716	537.74	MGUBPEQYBSXBMF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156517
NNC(=O)CCSC1=N[C@@H](CCCCN(C(C)(C)C)C(=O)O)CN(c2c1nn(c2)CC(C)C)CC(C)C	SCHEMBL3467981,PC-id_68654292	537.761	AWUYHLZUOQXJMA-FQEVSTJZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156518
S(C1=NC(CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCN(C(C)(C)C)C(=O)O)CCC(=O)NN	PC-id_77534119	537.761	AWUYHLZUOQXJMA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156519
S(C1=NC(CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCNC(=O)OC(C)(C)C)CCC(=O)NN	PC-id_75217901	537.761	KRMAEWFQBZAVEE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156520
S(C1=N[C@H](CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCNC(=O)OC(C)(C)C)CCC(=O)NN	PC-id_46841113	537.761	KRMAEWFQBZAVEE-FQEVSTJZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156521
Cc1cc(c(c(=O)[nH]1)CN1CCCc2c(C1=O)c(c(s2)C(C)C1CCN(CC1)CC1(CCCCC1)C)C)C	SCHEMBL20240335,PC-id_134587802	537.799	CLJDDYMTRWLQTN-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-156522
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C[C@@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)CC1(C)CCCCC1	SCHEMBL18362998	537.799	CLJDDYMTRWLQTN-HSZRJFAPSA-N	00000000100010101100000000000010000000000000000000000000	31-01-156524
CCCCCCCCCCCCC1(CCCCCCCCCCCC)COc2c(OC1)c[se]c2	PC-id_101536361	539.735	IXJDRKAKTFBVMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156685
FC(F)(F)Oc1ccc(CCC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1Cl	PC-id_118394518,BindingDB-id_913871,SCHEMBL17112957	537.922	JGLOZZNBXVELFE-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-156525
CCN(CCNC(=O)c1[nH]c2c(c1C)C(=NCC=C2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)CC	PC-id_143506954	538.056	LBKUEFLIWUTDEJ-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-156526
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)n(c2cc1)C	PC-id_4131624	538.102	NXDPSHLQLPQIKG-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-156527
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CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=CN=CN3CCNC(=O)C2=O	PC-id_161157265	538.279	UPLPJQJXTDUZIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156529
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=NC=CN3CCNC(=O)C2=O	PC-id_147165670	538.279	BWSIWNVNDKRNFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156530
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C#N	PC-id_4589973	538.326	JXUOYSPAQAGPFL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-156531
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)N	PC-id_3285592	538.351	ZFSQKZQGOGNMES-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-156532
Brc1ccc2-c(c(OC(=O)OC(C)(C)C)c(N(C(=O)C)C(=O)C)c2OC(=O)OC(C)(C)C)cc1	PC-id_17776162,SCHEMBL8469912	538.385	PDQDHQCVBIYHPW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156533
BrC1=CC(=CNNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)C=C(OC)C1=O	PC-id_19661778	538.411	FTMPNSGDNORTHZ-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-156534
CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)C(=O)N/N=C/c1cc(c(c(c1)Br)O)OC	PC-id_135554319	538.411	WIAZXPMOCSZFTA-BHGWPJFGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156535
CCCCC(CC1(COc2c(OC1)c(sc2Br)Br)CC(CCCC)CC)CC	PC-id_101354361	538.42	YJSKHQCSJFOYRX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156536
CCCCCCCCC1(CCCCCCCC)COc2c(OC1)c(sc2Br)Br	PC-id_102128371	538.42	OMAGWUSODYPDJM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156537
Brc1c2-c(c([C+](c3ccccc3)c3ccccc3)c1)cccc(C(c1ccccc1)c1ccccc1)c2	PC-id_85746297	538.496	HTVKEHVZHGIVET-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156538
CC(C)OC(=O)ON1CCCC(c2cscc12)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C	PC-id_87725632,SCHEMBL4768343	538.503	KPMRAZAJGVFYLZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156539
Clc1cc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)nc2)ccc1Cl	PC-id_20178968	538.513	DISGKJSVPXRQSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156540
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)nc2)ccc(Cl)c1	PC-id_20179062	538.513	HBUXJLNQGGJLAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156541
Clc1c(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)nc2)c(Cl)ccc1	PC-id_20179430	538.513	HSCNMKGBLDJTPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156542
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)c(CN2CCOCC2)c1	BindingDB-id_731693,SCHEMBL17777919,PC-id_121358850	538.534	GITKGFKAZOHCSQ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-156543
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1ccc(cc1)F	PC-id_141350350	538.562	BJGXRZRPTCOCBU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156544
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1cnc(cc1)N(Cc1c(cc(cc1)OC)OC)C(=O)O	PC-id_87142750,SCHEMBL693891	538.572	XXELEDAMLXZKQT-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-156545
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1oc(c2c(c([N+](=O)[O-])ccc2)C)cc1)C(=O)OCC	PC-id_19659503	538.572	CJUMOKIKUIFEMP-MZJWZYIUSA-N	00000000101000110100100000000010000000000000000000000000	31-01-156546
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1oc(c2c(c([N+](=O)[O-])ccc2)C)cc1)C(=O)OCC	PC-id_73633988	538.572	CJUMOKIKUIFEMP-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-156547
s1c2CCCCCc2c(c1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1sc2CCCCCc2c1C#N)C#N	PC-id_3636814	538.581	XIQBPGDPGASHJG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-156548
Cc1nc2c(o1)c(ccc2)C(=O)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671336,SCHEMBL21041718	538.582	XFARPVQOHYIWPP-DLBZAZTESA-N	00000000100010100101000001000010000000000000000000000000	31-01-156549
Cc1nc2c(o1)cc(cc2)C(=O)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21042271,PC-id_138671847	538.582	HYIRZOLVKZMGCA-ZWKOTPCHSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156550
Cc1oc2c(n1)cc(cc2)C(=O)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671217,SCHEMBL21041590	538.582	YHKIOLKVRIQNFH-ZWKOTPCHSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156551
O=C1Cc2c(N1)c(ccc2)C(=O)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21040703,PC-id_138670364	538.582	CALRCPSTKZROHQ-DLBZAZTESA-N	00000010100010100101000000001010000000000000000000000000	31-01-156552
OC(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1cco2	PC-id_139750491	538.59	YMZJCTNOZVACOE-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-156553
s1c(C(=C(C#N)C#N)C(=c2ccc(=C(C#N)C#N)cc2)c2c3-c(c(c2)C(=O)OC)cc(C(C)C)ccc3)ccc1	PC-id_44249615	538.618	DYLHABZJWGJYTA-UHFFFAOYSA-N	00000010100100100110000000000010000000000000000000000000	31-01-156554
CCn1c(=O)cccc1C(=O)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451760	538.625	BMBNVPJBCNSMOC-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-156555
CCOC(=O)C1C=C(C2=C1C=CC(=C(c1c3-c(ccccc3)cc1)c1c3-c(ccccc3)cc1)C=C2)C(=O)OCC	PC-id_136903502	538.632	HDVYZCTWWFYEIL-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-156556
O(C(=O)c1c2-c(ccc(C(c3c4-c(cc3)ccccc4)c3c4-c(cc3)ccccc4)cc2)c(c1)C(=O)OCC)CC	PC-id_11330136	538.632	VQZYLCOBBVTTHG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156557
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)C(=O)OC	PC-id_18897596	538.635	LOKRAYDGUYIHNG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156558
COc1noc(c1)CCC(=O)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	PC-id_145451725	538.65	ONRYIUOREUAYGB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156559
CCCCC(=O)[N-]S(=O)(=O)c1ccccc1c1ccc(c(c1)F)Cn1c(CCC)nc2c1C(=O)CCCC2	GLL_PC-id_44213458	538.653	DDOAKEYOQLZFGR-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-156560
c1(c2CCCCCc2sc1NCc1ccc(c(OC)c1OC)OC)C(=O)Nc1ccc(cc1)C(=O)OCC	PC-id_3601609,MCULE-2111307080,CoCoCo_2720547,EMOLS-id_16406300	538.655	RLZBCGCWKBJQRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156561
COCCNCCC(=O)Nc1cccc(c1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCOCC1	PC-id_89125901	538.662	ZEFCDULCLYANRX-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-156562
COCCNCCC(=O)Nc1cccc(c1)N/C/1=N/Cc2cc(sc2/C=CC/C=N1)C(=O)N1CCOCC1	SCHEMBL13591933	538.662	ZEFCDULCLYANRX-RPBUAQOWSA-N	00000000100010110111000000000010000000000000000000000000	31-01-156563
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(OC)cc2)ccc1)C)C(=O)OC	PC-id_18909899	538.678	KZHJPGONZAALBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156564
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc(OC)cc2)ccc1)C(=O)OCC	PC-id_18909933	538.678	HCONKVUHXGMLIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156565
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)ccc2)ccc1)C)C(=O)OC	PC-id_18909767	538.678	BAXFUBWBNBNAKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156566
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc(OC)ccc2)ccc1)C(=O)OCC	PC-id_18909801	538.678	IGKUZDBVSSJXGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156567
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)COc2ccccc2)ccc1)C)C(=O)OC	PC-id_18910823	538.678	LEAXEGMVPSBEJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156568
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)COc2ccccc2)ccc1)C(=O)OCC	PC-id_18910857	538.678	CGRLFVOHHGVAEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156569
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc(OC)cc2)ccc1)C(=O)OC	PC-id_18909934	538.678	KGEZCGMSRGMTPJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156570
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc(OC)ccc2)ccc1)C(=O)OC	PC-id_18909802	538.678	BFCFRSDCLMVYNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156571
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)COc2ccccc2)ccc1)C(=O)OC	PC-id_18910858	538.678	UFRCTECYPYWLHI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156572
COC(=O)c1c(NC(=O)C2SC(=C(C2=N)C(=O)NC2CC2)Nc2cccc(c2)C)sc2c1CCCCC2	EMOLS-id_48981498,MCULE-6682140436	538.681	HRFJOFUVIGQZQL-UHFFFAOYSA-N	00100011100000110100000000000010000000000000000000000000	31-01-156573
COC(=O)c1c(NC(=O)[C@@H]2SC(=C(C(=O)NC3CC3)C2=N)Nc2cccc(C)c2)sc2c1CCCCC2	CoCoCo_3776155,CoCoCo_3776154,ZINC22_102930175	538.681	HRFJOFUVIGQZQL-JOCHJYFZSA-N	00100011100000110100000000000010000000000000000000000000	31-01-156574
COC(=O)c1c(NC(=O)[C@H]2SC(=C(C(=O)NC3CC3)C2=N)Nc2cccc(C)c2)sc2c1CCCCC2	CoCoCo_3776156,CoCoCo_3776157,ZINC22_102930178	538.681	HRFJOFUVIGQZQL-QFIPXVFZSA-N	00100011100000110100000000000010000000000000000000000000	31-01-156575
COC(=O)c1c(NC(=O)[C@@H]2SC(=Nc3cccc(c3)C)C(=C2N)C(=O)NC2CC2)sc2c1CCCCC2	PC-id_98387248	538.681	SNJUBEPUIZJDDL-JOCHJYFZSA-N	00100011100000110100000000000010000000000000000000000000	31-01-156576
COC(=O)c1c(NC(=O)[C@H]2SC(=Nc3cccc(c3)C)C(=C2N)C(=O)NC2CC2)sc2c1CCCCC2	PC-id_98387249	538.681	SNJUBEPUIZJDDL-QFIPXVFZSA-N	00100011100000110100000000000010000000000000000000000000	31-01-156577
O=C(Nc1sc2c(c1C(=O)N1CCN(c3ccccc3)CC1)CCCCC2)NS(=O)(=O)c1ccccc1	CHEMBL575277,NSC731662,PC-id_24204391	538.681	JUXMUBDAQADJTO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156578
s1c2c(CCCCC2)c(c1NC(=O)C1SC(=Nc2cc(ccc2)C)C(=C1N)C(=O)NC1CC1)C(=O)OC	PC-id_5083056	538.681	SNJUBEPUIZJDDL-UHFFFAOYSA-N	00100011100000110100000000000010000000000000000000000000	31-01-156579
CCOC(=O)c1c(NC(=O)[C@H]2CCCN2C(=O)OCC(c2ccccc2/C=C/C)C)sc2c1CCCCC2	PC-id_143831952	538.698	WWKADYFCMYBFSG-AIHNMZKFSA-N	00000010100000110100000000000010000000000000000000000000	31-01-156580
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccccc1	ZINC22_408969046	538.7	GHWAPVHCBSIHBJ-PPOKSSTKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156581
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1cccc(C)c1	ZINC22_408964495	538.7	SBIADOQRIFEOSO-KEIPNQJHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156582
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccc(C)cc1	ZINC22_408969857	538.7	VQHGJWINKMEQBM-KEIPNQJHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156583
CC1C[C@H](N(C1)C(=O)OCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2)C(=O)N1CCNCCC1	PC-id_66586630,SCHEMBL38963	538.701	GXPFAXGRCRNGKI-KUXBLMNESA-N	00000010100000110101000000000010000000000000000000000000	31-01-156584
CN1CCCN(CC1)C(=O)[C@@H]1CCCN1C(=O)OCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	PC-id_16666180,SCHEMBL1660513	538.701	UDUSEBZFBZEPHP-VWLOTQADSA-N	00000010100000110101000000000010000000000000000000000000	31-01-156585
CN1CCCN(CC1)C(=O)[C@H]1CCCN1C(=O)OCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	SCHEMBL5429019,PC-id_10280399	538.701	UDUSEBZFBZEPHP-RUZDIDTESA-N	00000010100000110101000000000010000000000000000000000000	31-01-156586
s1c2CCCCN(c2cc1)C(=O)c1cc(c(COC(=O)N2C(CC(C2)C)C(=O)N2CCCNCC2)cc1)C	PC-id_77149043	538.701	GXPFAXGRCRNGKI-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-156587
s1c2CCCCN(c2cc1)C(=O)c1cc(c(COC(=O)N2C(CCC2)C(=O)N2CCCN(CC2)C)cc1)C	PC-id_17953989	538.701	UDUSEBZFBZEPHP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-156588
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(N1CCCCC1)C)c1ccc(F)cc1)C#N	PC-id_16511936	538.703	WKKSYRWTNPMIBS-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156589
Fc1ccc(cc1)C(=C1CCN(CC1)CCCCN1CCSc2c(C1=O)cc(s2)C)c1ccc(cc1)F	PC-id_19881077,SCHEMBL9038143	538.715	JLZIEIVVSSCZGC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156590
CCC(c1sc(c2c1OCC(CO2)(COCCCS(=O)(=O)O)C(=O)c1ccccc1)C(C)(C)C)(C)C	SCHEMBL14494067,PC-id_89351968	538.716	JHXBGZDJZKUJFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156591
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC1CCC(C1)(F)F	PC-id_138670724	538.716	BTUMSFHSOAKFLF-UHFFFAOYSA-N	00000010100010000101000000000010000000000000000000000000	31-01-156592
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC1CC(C1)(F)F	PC-id_138671186	538.716	ONBXBBJQCRUMSK-UHFFFAOYSA-N	00001000100010000101000000000010000000000000000000000000	31-01-156593
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OC1CCC(C1)(F)F	SCHEMBL21041068	538.716	BTUMSFHSOAKFLF-ORXZLVCASA-N	00000010100010000101000000000010000000000000000000000000	31-01-156594
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC1CC(C1)(F)F	SCHEMBL21041557	538.716	ONBXBBJQCRUMSK-KESTWPANSA-N	00001000100010000101000000000010000000000000000000000000	31-01-156595
CCCCCc1cc2c(cc(c1=O)CCCCC)nc(n2Cc1ccc(cc1)c1ccccc1C(=O)O)CCC	PC-id_19102913,SCHEMBL9335822	538.72	HENATGOJMXRVQE-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-156596
CCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCC)CCCC	SCHEMBL9335328,PC-id_19102916	538.72	MCQCNLNMKJQWGC-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-156597
[Sn](/C(=C
/C(=C([Sn](C)(C)C)/C)/B(n2c(CC1)ccc2)CC)/C)(C)(C)C	PC-id_10973537	538.72	DOBDAVCVKWUFOK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156598
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC=C)C(=O)OCC	PC-id_20125197	538.725	YDXWORICQQZWRE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156599
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC=C)C(=O)OC	PC-id_17303095	538.725	FLDMUOSLRZZNFY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156600
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)C)cc1)CC=C)C(=O)OC	PC-id_17303177	538.725	OXFRFKDMKRYMMG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156601
CC1CC(=CC=CC(=O)OC(Cc2nc(cs2)CCC(=CC(=O)O1)C)C=C(C)C=CC(=CCN(C)C)C)C	PC-id_89057029	538.741	XDQCKIBQWUCSHY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156602
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)/C=C(/CCc2nc(C1)sc2)C)/C)C)C	SCHEMBL13297241	538.741	XDQCKIBQWUCSHY-OUYNWXBSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156603
CN(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCC(CC1)N1CC(C1)OC1CC1	SCHEMBL18556216	538.744	WPZAGQWHCAHMOI-UHFFFAOYSA-N	00101000100010101100100000000010000000000000000000000000	31-01-156604
CN(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)[C@@H]1CC[C@H](CC1)N1CC(C1)OC1CC1	SCHEMBL18556215	538.744	WPZAGQWHCAHMOI-HZCBDIJESA-N	00101000100010101100100000000010000000000000000000000000	31-01-156605
OCCC1C(=O)N(C)c2c(C(=O)N1C)n(c(n2)Oc1cccc(c1)OC(F)(F)F)Cc1ccc(cc1)Cl	SCHEMBL21345363,PC-id_139478660	538.903	RGAIYJVNAZCPRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156606
OCC[C@H]1C(=O)N(C)c2c(C(=O)N1C)n(c(n2)Oc1cccc(c1)OC(F)(F)F)Cc1ccc(cc1)Cl	SCHEMBL21332667,PC-id_139467019	538.903	RGAIYJVNAZCPRX-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156607
OCC[C@@H]1C(=O)N(C)c2c(C(=O)N1C)n(c(n2)Oc1cccc(c1)OC(F)(F)F)Cc1ccc(cc1)Cl	SCHEMBL21332739,PC-id_139467080	538.903	RGAIYJVNAZCPRX-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156608
OCCCN1CC(=O)N(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)OC(F)(F)F)C	PC-id_139467032,SCHEMBL21332683	538.903	GVSUWZHBDFWHQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156609
OCCCN1C(=O)CN(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)OC(F)(F)F)C	PC-id_139467242,SCHEMBL21332923	538.903	SLTDOJPFKZOKIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156610
FC(F)(F)Oc1ccc(CCC(=O)N2CCc3nc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1Cl	PC-id_118394555,BindingDB-id_913872,SCHEMBL17112994	538.91	HKKWTYODSDDPLH-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-156611
CC1=C(SC2=C1SC[C@@H](C(=O)N2C)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4)I	PC-id_147828776	538.995	HQRILPWOUSNVDU-LBPRGKRZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156612
CCc1oc2c(c1)CCC=C(C=C2)Nc1nc(=O)n(c(=O)n1Cc1ccc(cc1)Cl)C[C@H]1COC(O1)(C)C	PC-id_144330216	539.023	BVKPOSFYVWJCJQ-QHCPKHFHSA-N	00000010100000110111000000000010000000000000000000000000	31-01-156613
CCCc1cc(ccc1OC(c1ccccc1Cl)C(=O)O)Cn1c(CCCC)nc2c1C(=O)NCC(=O)N2	PC-id_67855042,SCHEMBL9453303	539.023	KXKCYNPIKULOKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156614
CC1[C@H](CSC2=C(N1C)SC(=C2C)I)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4	PC-id_164070325	539.031	WOPZMQYGKHRMBY-PYMCNQPYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156615
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)ccc1F	PC-id_21164584	539.042	SDOPELYJAXXBLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156616
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)ccc(F)c1	PC-id_19633842	539.042	JMEAIHXXZVCCTQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156617
CN1CC(Nc2c(C1=N)[nH]c(=O)n2Cc1c(ccc(c1)c1cc(ccc1)CN1CCCC1)Cl)OCCOC	PC-id_137092425	539.069	PYNBBPHCKVAOFV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-156618
ClC1=Cc2[nH]c(cc2CC=C1)SN1CCN(C(=O)C1)Cc1ccc(cc1)C(=N)N1CCC(CC1)N(C)C	PC-id_142132195	539.135	PBRXEUSMZFAXCF-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-156619
CC[C@@H](CC(=O)N1CC2=NN=C(N2CC(C1=O)CC3=C(C=CC(=C3)Cl)OC)C)C4=CC(=C(C=C4)C(=O)O)N	PC-id_148982535	539.194	PWACPYGAMIEDCR-UCFFOFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-156620
CC1CCC(N1S(=O)(=O)C2=C3CCCCCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278846	539.227	PKNQQNDOWVGWAX-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-156621
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=C(CCNC(=O)C2=O)N=CO3	PC-id_148952199	539.263	PQECONXTKDINDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156622
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=C(CCNC(=O)C2=O)ON=C3	PC-id_146895343	539.263	TWNJWJWKKXDCQA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156623
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CCC3=C(CNC(=O)C2=O)N=CO3	PC-id_161451588	539.263	WAPIBLHRDZYRNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156624
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CCC3=C(CNC(=O)C2=O)OC=N3	PC-id_149205198	539.263	XFLTVBDLPBNUEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156625
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=CN=NN3CCNC(=O)C2=O	PC-id_149588394	539.274	ZXKOZLAWVDLDFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156626
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=NC=NN3CCNC(=O)C2=O	PC-id_148500858	539.274	MKPSJEYXNWWDPJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156627
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=NN=CN3CCNC(=O)C2=O	PC-id_162008770	539.274	YTEMOZUULOOZJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156628
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C	PC-id_155171365	539.311	CTHSBIWEMQXJEJ-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156629
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C	PC-id_155171394	539.311	SMJNEXRGVXCIFR-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156630
Brc1c(F)c(F)c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c(F)c1F	PC-id_20170519	539.405	RHQSAWILPIAXPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156631
Brc1oc(c2n(CC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)cc1	PC-id_19724727	539.466	LRMGFPLLJHTCHS-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-156632
Brc1oc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)cc1	PC-id_19724677	539.466	VJJUZQCFBOWCFC-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-156633
Brc1oc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cc1	PC-id_19724578	539.466	ZDSWVRMZYIATNV-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-156634
CC(=O)N[C@@H]1CCc2csc(n2)C[C@@H](/C=C(/Br)C)OC(=O)/C=CC=C(C[C@@H](OC(=O)C1)C)/C	SCHEMBL19430227	539.482	WWEVWQMGRLBAJC-ISAYZNHLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156635
CC(=O)N[C@@H]1CCCc2csc(n2)C[C@@H](/C=C(/Br)C)OC(=O)/C=CC=C(C[C@@H](OC1=O)C)/C	PC-id_122597580,SCHEMBL18123419	539.482	VGIOOCJFCNILMY-SXJPGHPRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156636
CC(=O)N[C@H]1CCCc2csc(n2)C[C@@H](/C=C(/Br)C)OC(=O)/C=CC=C(C[C@@H](OC1=O)C)/C	PC-id_122597604,SCHEMBL18123446	539.482	VGIOOCJFCNILMY-RCJFCHGQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156637
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)ccc(Cl)c1	PC-id_19728896	539.498	XWVQPCGZGRMZOF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156638
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)ccc(Cl)c1	PC-id_19728928	539.498	HTYSSKXORBXXBZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156639
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)ccc(Cl)c1	PC-id_19728833	539.498	BKMQGQCQZSYVST-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156640
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)ccc1Cl	PC-id_19729165	539.498	ZPZZVGCAPIBWLL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156641
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)ccc1Cl	PC-id_19729197	539.498	OBXZKHSTCYKEAM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156642
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)ccc1Cl	PC-id_19729103	539.498	GJDICYLAVGPHSH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156643
C[C@H](C(=O)OC(C)C)NP(=O)(OC[C@H]([C@H](Cn1cnc2c1NC=NC[C@H]2O)O)OC)Oc1ccccc1	PC-id_135242943,SCHEMBL20402365	539.519	YXRYVWUFJORXFY-FXHXSOFOSA-N	00000000100000110111000000000010000000000000000000000000	31-01-156644
CC(C)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br	ZINC22_408971322	539.527	ILCAAJSMACDVRE-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156645
CCCCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br	ZINC22_408971478	539.527	GFXUWOAJRNBBEG-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156646
CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)Nc1cc(C)ccc1C)CCCCCC2	ZINC22_408970319	539.527	FYNURIKLVYLLCL-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156647
CCCc1c(/N=C(/C(F)(F)F)C)[nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)c1ccc(c(c1)F)F	PC-id_145409518	539.537	ZOUSOFGBMMPHAN-ROPCREHHSA-N	00000000100000110110000000000010000000000000000000000000	31-01-156648
O=C(Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)NCc1c(Br)sc2c1CCCC2	SCHEMBL19557051	539.549	SDEDYOXFWSCUIS-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-156649
O=C(c1ccn2c1cccn2)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671225	539.589	NAVMHYDLSORBIJ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156650
O=C(c1ccn2c1cccn2)N[C@@H]1CC[C@@](CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041599	539.589	NAVMHYDLSORBIJ-SMQSCJQKSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156651
COc1cc(/C=C/2C(=O)N(CCc3c2n(COCc2ccccc2)cn3)Cc2ccccc2)cc(c1OC)OC	PC-id_145977081	539.622	URWUFKNCCCMBIZ-QQXSKIMKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156652
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2sccc2)cc1)C(=O)OCC	PC-id_3558156	539.623	JGRCMRZTMFTFRP-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-156653
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2sccc2)cc1)C(=O)OCC	PC-id_9625668	539.623	JGRCMRZTMFTFRP-JFLMPSFJSA-N	00000000100100110100000000000010000000000000000000000000	31-01-156654
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2sccc2)ccc1)C(=O)OCC	PC-id_19658470	539.623	BYKXMVMDWUFBKJ-JFLMPSFJSA-N	00000000100100110100000000000010000000000000000000000000	31-01-156655
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2sccc2)ccc1)C(=O)OCC	PC-id_73632977	539.623	BYKXMVMDWUFBKJ-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-156656
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2sccc2)cccc1)C(=O)OCC	PC-id_19660095	539.623	ZUURTOPGYOSVLL-JFLMPSFJSA-N	00000000100100110100000000000010000000000000000000000000	31-01-156657
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2sccc2)cccc1)C(=O)OCC	PC-id_73634559	539.623	ZUURTOPGYOSVLL-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-156658
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)C(=O)OC	PC-id_18910724	539.623	XZTIRDNCLPIBPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156659
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)C(=O)OC	PC-id_18910592	539.623	YLULTDDPWKQCGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156660
N/C=c/1c(=C/C(Nc2nn3c(c2)/C(=C/c2ccn(c2)C)/CN(C(=N)C3)C)C)cc(c(c1N)F)c1cnccc1C	PC-id_142448133	539.65	OPZHVGAIYMPNGB-HHYGTTQPSA-N	00000000110000111101100000000010000000000000000000000000	31-01-156661
S(=O)(=O)(NC(=O)CCCC)c1c(c2cc(F)c(Cn3c4c(nc3CCC)CCCCC4=O)cc2)cccc1	PC-id_44213458	539.661	DDOAKEYOQLZFGR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156662
O=C1NCc2scc(n2)C(=O)NC(C(=O)NCC(=O)OC(C1)/C=C/CCSC(=O)C(C(C)C)N)(C)C	PC-id_144970261	539.668	FMJUCWWIGLJLIO-FNORWQNLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156663
C=C/C=C(/CCCCN(C(=O)C1C=Cc2c(N=C1OC)nsc2C(=O)C(=O)Nc1nccs1)CC)C=C	PC-id_143402900	539.67	BEFITSDXDYTQDD-LICLKQGHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156664
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC=C)C#N	PC-id_19731395	539.67	PZNKDRPYCXSXOH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156665
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(c(c1C(=O)OC)C)C(=O)OCC)C)C(=O)OC	PC-id_24162663	539.685	WTPGZBPZIIPTKU-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-156666
s1c2c(CCCCC2)c(c1SC(C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)OCC)C)C(=O)OC	PC-id_23743399	539.685	OLGRMUQLWUJERS-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-156667
CN(CCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2)C	PC-id_139750509	539.688	RPSIZVXTHJOCQF-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-156668
NCCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750464	539.688	VESXGUCGANFRDU-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-156669
S(=O)(=O)(N1CCC(CC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OCC)c1sccc1	PC-id_44005568	539.688	VANOTWDHRKGPIB-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-156670
S(=O)(=O)(N1CC(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OCC)c1sccc1	PC-id_44027444	539.688	BFVRQLBNUFOIJK-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-156671
S(=O)(=O)(N1C(CCCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OCC)c1sccc1	PC-id_44028719	539.688	JJZFUDQYINHAEE-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-156672
O=C(Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)NCc1c2CCN(Cc2sc1C(F)(F)C)C	PC-id_138564811,SCHEMBL20922390	539.701	RVCOQTZACZOZEX-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-156673
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC)c1ccc(F)cc1	PC-id_19688018	539.706	VDENEWBEFPGYGG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156674
Cn1nc2c(c1)c(ccc2)C(=O)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(C)C	PC-id_145452179	539.708	JEVNIJXDDXOUSB-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156675
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)Cc2ccccc2)cc1)C(=O)NC	PC-id_43947638	539.709	AHDPBCUHANLSFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156676
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)CC=C)C(=O)OCC	PC-id_17303877	539.713	PVULMJRGEZSBKI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156677
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)CC=C)C(=O)OCC	PC-id_20128324	539.713	AOUQCSZKTJGHEM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156678
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(C)C)cc1)CC=C)C(=O)OC	PC-id_20127919	539.713	SKVZSUNSRQSMDM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156679
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(N(C)C)ccc1)CC=C)C(=O)OC	PC-id_20128249	539.713	GQWINLOSBPQUHU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156680
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccccc2)ccc1)C)C(=O)OC	PC-id_19317408	539.732	BHIUKZGRZLGEOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156681
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2ccccc2)ccc1)C(=O)OCC	PC-id_19317442	539.732	PHYAFSHQDYXSES-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156682
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)C(=O)OC	PC-id_19317573	539.732	RINLQOPKBLKKIE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156683
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2ccccc2)ccc1)C(=O)OC	PC-id_19317443	539.732	UFHARLSNNDSMQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156684
FC(F)(F)Oc1ccc(COC(=O)N2CCc3cc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1Cl	PC-id_118394527,SCHEMBL17112967,BindingDB-id_913886	539.895	QJFOULILLBXNNJ-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-156686
FC(F)(F)Oc1ccc(COC(=O)N2CCc3nc(cn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1Cl	PC-id_118394501,BindingDB-id_913891,SCHEMBL17112937	539.895	HWPOSIDPCXTFLP-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-156687
Clc1ccc(OCc2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)cc1	PC-id_5072901	540.009	KDKNKDVWFWEOPZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156688
CCC1(COC2=C(SC(=C2OC1)[Sn](C)(C)C)[Sn](C)(C)C)CC	PC-id_161099033	540.017	MMBRSFNCHLGULP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156689
Clc1ccc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OC)cc1	PC-id_16924126	540.052	DQZIXCUCVNFTKC-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-156690
CCN1N[C@@H](CNc2c(C1=O)n(Cc1ccc(c(c1)Cl)OC)c(n2)C#Cc1ccccc1)Cc1ccccc1	PC-id_142218521	540.055	GDUOTVJXQVXEKN-RUZDIDTESA-N	00000000100000110101000000000010000000000000000000000000	31-01-156691
Clc1ccc(S(=O)(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_22197134	540.095	MXBLQLBPOPLOTD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156692
Clc1ccc(S(=O)(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_22197083	540.095	WSRUDBUZOGQTHX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156693
Clc1ccc(c2nc(SCCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)c(cc2)C#N)cc1	PC-id_23833227	540.097	GULBILRFDVQXHL-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-156694
Clc1ccc(c2nc(SCCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)c(cc2)C#N)cc1	PC-id_24028977	540.097	ZWJQGBCLKAAPLQ-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-156695
CCNC(=O)NCC1CC(CN1C(=O)c1cc2c(s1)CCN(CC2)C)NC(=O)Oc1ccc(s1)Cl	SCHEMBL13372884,PC-id_70893713	540.098	OKYPWUCJXUQIQG-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-156696
Brc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)c(Br)cc([N+](=O)[O-])c1	PC-id_19527313	540.129	SVCWDGWWZMXQNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156697
Ic1c(nc2-c1ccccc2)Sc1nc2-c(c1I)ccccc2	PC-id_101583491	540.159	SWRIADCTRDZIQU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156698
Clc1ccc(c2ccc(CC3N(CCNC3)CCCCN3CCSc4sc(cc4C3=O)C)cc2)cc1	PC-id_53855203	540.183	GSPORADRWCXDLR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156699
Clc1ccc(c2c(CN3CCN(CC3)CCCCN3CCSc4sc(cc4C3=O)C)cccc2)cc1	PC-id_19881091	540.183	YPHMWEBEZRECQL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156700
Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CCCCN1CCSc2c(C1=O)cc(s2)C	PC-id_139603496	540.183	UWDPRRUPCVBZPA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156701
Clc1ccc(N2CC(N(CC2)CCCCN2CCSc3sc(cc3C2=O)C)Cc2ccccc2)cc1	PC-id_67916245	540.183	TWABQCYTVNASRF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156702
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=C(CCNC(=O)C2=O)ON=N3	PC-id_148828974	540.258	OTHIUGVBSMNONM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156703
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(F)cccc2)ccc1)C(=O)OCC	PC-id_18910067	540.669	DEDFYAWOOBWEIA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156740
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CCC3=C(CNC(=O)C2=O)N=NO3	PC-id_148905269	540.258	PHOHZFQCWVQDPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156704
COc1cc(ccc1OC(=O)c1ccc(cc1)I)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3720228,PC-id_5880123	540.353	XWBOTXZBVYDZKG-QGOAFFKASA-N	00000000100000110101000000000010000000000000000000000000	31-01-156705
COc1cc(ccc1OC(=O)c1ccc(cc1)I)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3720229,PC-id_75408580	540.353	XWBOTXZBVYDZKG-AQTBWJFISA-N	00000000100000110101000000000010000000000000000000000000	31-01-156706
COc1cc(ccc1OC(=O)c1ccc(cc1)I)C=C(c1nnc2n1CCCCC2)C#N	MCULE-2248296620,PC-id_3630578,EMOLS-id_300984049	540.353	XWBOTXZBVYDZKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156707
COc1cc(ccc1OC(=O)c1ccccc1I)C=C(c1nnc2n1CCCCC2)C#N	PC-id_4307430,MCULE-1917257148,EMOLS-id_300767793	540.353	ZWXSJHHRSYAHHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156708
Ic1c(C(=O)Oc2c(OC)cc(/C=C(c3n4CCCCCc4nn3)/C#N)cc2)cccc1	PC-id_75459328	540.353	ZWXSJHHRSYAHHB-LGMDPLHJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156709
CCCCC1=NC2=C(N1CCCCNC(=O)/C=C/C(=C)C3=CC=C(C=C3)N(C)C)C(=CC=CC=CN=C2N)CC	PC-id_155067115	540.358	KACWWZPRPFLFKL-LTGZKZEYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-156710
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)sc3c2CCCCCC3)c1	ZINC22_408970818	540.472	KSVAAIVVMIYYTN-RWPZCVJISA-N	00000000100000110100000000000010000000000000000000000000	31-01-156711
NC(=O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br	ZINC22_408964152	540.472	PTQBDJVPQKWGES-WKULSOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156712
Ic1c2-c(ccc(C(C)(C)C)cc2)c(c1)C#CC#Cc1c2-c(ccc(C(C)(C)C)cc2)cc1	PC-id_16085579	540.477	QIZQYUGKGIRVPW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156713
CCCN(C(=O)c1n[nH]c2c1CN(CCC2)CCC(F)(F)F)CCCc1ccc(c(c1C(F)(F)F)F)F	PC-id_144954919	540.493	FFSHRDRWHYUVIY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156714
O=C(Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)NCc1c(Br)sc2c1CCNC2	SCHEMBL18501921	540.537	JHIYVMIHBBCBMQ-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-156715
Clc1cc(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1Cl	PC-id_20175231	540.569	USKYHKXBIIBOFY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156716
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc(Cl)c1	PC-id_20175288	540.569	FWMWLOOPYFNCMI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156717
Clc1c(CN2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c(Cl)ccc1	PC-id_20175765	540.569	JCJHOTJAKBYKPV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156718
Fc1cc2/C(=C/c3[nH]c4CCCN(C[C@H](OC(=O)C(O)C)CN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL13834881,PC-id_71008270	540.583	CREYWBGZPWBXPQ-WFTBIUFNSA-N	00000010100010100101000000001010000000000000000000000000	31-01-156719
Fc1cc2C(=Cc3[nH]c4CCCN(CC(OC(=O)C(O)C)CN5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_77979962	540.583	CREYWBGZPWBXPQ-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-156720
Fc1cc2/C(=C/c3[nH]c4CCCN(CC(OC(=O)C(O)C)CN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1	SCHEMBL13834883,PC-id_71008272	540.583	CREYWBGZPWBXPQ-BKUYFWCQSA-N	00000010100010100101000000001010000000000000000000000000	31-01-156721
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)c(F)cc(F)c2F)cc1)C(=O)OCC	PC-id_20171244	540.597	MNJZVNLKMRVWTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156722
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)C	ZINC22_1772714545,PC-id_137338642,EMOLS-id_317511592,MCULE-6580636235	540.611	WLXAPDOKYZTVON-ZPMCFJSWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156723
O=C(NC(C(=O)NC(C(=O)NC1Cc2ccnn2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	PC-id_138730206,SCHEMBL21109357	540.611	VYYUVVDXKUWNBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156724
O=C(NC(C(=O)NC(C(=O)NC1Cc2cncn2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21110143,PC-id_138730985	540.611	LSWBFWZCRIXMKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156725
O=C(NC(C(=O)NC(C(=O)NC1Cc2nccn2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21110157,PC-id_138730999	540.611	GOYLCAMNMQJUOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156726
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)[N-]C(=O)c1ccccc1)C(=O)CCCC2	GLL_PC-id_44213450	540.653	OPQALQWNBXXWRS-UHFFFAOYSA-M	00000000100000110101100000000010000000000000000000000000	31-01-156727
COc1c(cc(cc1N1CCCCC1=O)C(C)(C)C)NC(=O)c1cc2c(n1C)C(=CCC=C2)Oc1ccncc1	PC-id_143133896	540.653	JGSJRPPMPVCUFU-UHFFFAOYSA-N	00000000100010111110100000000010000000000000000000000000	31-01-156728
CC(OC(=O)C1=CN(CC(c2c1[nH]c(c2N(N)C)N)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	PC-id_145409500	540.654	DGWCUSLKTBEZRQ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-156729
CC(OC(=O)C1=CN(CC(c2c1[nH]c(c2N)N(N)C)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	PC-id_145409503	540.654	GJGAUNDSPMZJPY-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-156730
CCSC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)NCc1ccc(cc1OC)OC	SCHEMBL692071,PC-id_58256783	540.654	OGEKJCCDMKNKTL-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-156731
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCNCCNC(=O)Cn1nc(C)n2	MCULE-5122824488,EMOLS-id_317485985,ZINC22_1772713307,PC-id_137341790	540.658	HAVTXDGNKCEZPH-VNZMSGEBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156732
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(F)cc2)ccc1)CC)C(=O)OC	PC-id_18910229	540.669	RAPRZKRMYWGADT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156733
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(F)cc2)ccc1)C)C(=O)OCC	PC-id_18910164	540.669	ZIHOLXXAVFRORZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156734
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(F)cccc2)ccc1)CC)C(=O)OC	PC-id_18910097	540.669	IDPLLORAGQNXAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156735
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(F)cccc2)ccc1)C)C(=O)OCC	PC-id_18910032	540.669	TXIKMBCZUSOGCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156736
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(F)cc2)ccc1)C)C(=O)OC	PC-id_18910165	540.669	UTIVLBUWWGUUIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156737
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc(F)cc2)ccc1)C(=O)OCC	PC-id_18910199	540.669	SGXNZPUTGKBGJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156738
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(F)cccc2)ccc1)C)C(=O)OC	PC-id_18910033	540.669	OPZLAPYUQWFCOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156739
COC(=O)c1ccc(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3cc(C)ccc3C)CCCCCC4)o2)cc1	ZINC22_409012849	540.672	IWLRKXYQDHPXJD-HNSNBQBZSA-N	00000000101000110100100000000010000000000000000000000000	31-01-156741
COC(=O)c1ccc(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3cccc(C)c3C)CCCCCC4)o2)cc1	ZINC22_409014562	540.672	NAFNVJKBBXTWDF-HNSNBQBZSA-N	00000000101000110100100000000010000000000000000000000000	31-01-156742
COC(=O)c1ccc(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3cc(C)cc(C)c3)CCCCCC4)o2)cc1	ZINC22_409011577	540.672	GJWYMLAOGUPNOK-HNSNBQBZSA-N	00000000101000110100100000000010000000000000000000000000	31-01-156743
COC(=O)c1ccc(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3ccc(C)c(C)c3)CCCCCC4)o2)cc1	ZINC22_409019188	540.672	VYCYOCAGXHOMQL-HNSNBQBZSA-N	00000000101000110100100000000010000000000000000000000000	31-01-156744
CCOC(=O)C(NP(c1cc2=C(C)CC(=C(C=c2o1)C)Cc1ccc(c(c1)C(C)C)O)NC(C)(C)C)(C)C	PC-id_143339999	540.674	ZPNDMDSDKWCRRK-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-156745
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)C(=O)Nc1ccc(cc1)c1cccs1)nn2)C	PC-id_134828984	540.678	MWOCFMITJZSBGN-YOSAUDMPSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156746
C[C@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1ccc(cc1)c1cccs1)nn2)C	PC-id_134828991	540.678	MWOCFMITJZSBGN-ROKPMTFOSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156747
s1c(c2ccc(NC(=O)N(CC3OCc4n(nnc4)CCCC(=O)N(CC3C)C(CO)C)C)cc2)ccc1	PC-id_75036452	540.678	LQHROLCQRFFWPT-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156748
s1c(c2ccc(NC(=O)N(C[C@@H]3OCc4n(nnc4)CCCC(=O)N(C[C@H]3C)[C@H](CO)C)C)cc2)ccc1	PC-id_44497253	540.678	LQHROLCQRFFWPT-NMMYMHLASA-N	00000000100100110101100000000010000000000000000000000000	31-01-156749
s1c(c2ccc(NC(=O)N(C[C@@H]3OCc4n(nnc4)CCCC(=O)N(C[C@@H]3C)[C@H](CO)C)C)cc2)ccc1	PC-id_44497713	540.678	LQHROLCQRFFWPT-SKPFHBQLSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156750
s1c(c2ccc(NC(=O)N(C[C@@H]3OCc4n(nnc4)CCCC(=O)N(C[C@H]3C)[C@@H](CO)C)C)cc2)ccc1	PC-id_44497714	540.678	LQHROLCQRFFWPT-REHUZNOOSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156751
s1c(c2ccc(NC(=O)N(C[C@H]3OCc4n(nnc4)CCCC(=O)N(C[C@H]3C)[C@H](CO)C)C)cc2)ccc1	PC-id_44498545	540.678	LQHROLCQRFFWPT-JXALWOEJSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156752
s1c(c2ccc(NC(=O)N(C[C@H]3OCc4n(nnc4)CCCC(=O)N(C[C@@H]3C)[C@H](CO)C)C)cc2)ccc1	PC-id_44505784	540.678	LQHROLCQRFFWPT-MZLICYQSSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156753
s1c(c2ccc(NC(=O)N(C[C@H]3OCc4n(nnc4)CCCC(=O)N(C[C@@H]3C)[C@@H](CO)C)C)cc2)ccc1	PC-id_44506004	540.678	LQHROLCQRFFWPT-DCLXLUIPSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156754
s1c(c2ccc(NC(=O)N(C[C@H]3OCc4n(nnc4)CCCC(=O)N(C[C@H]3C)[C@@H](CO)C)C)cc2)ccc1	PC-id_44506007	540.678	LQHROLCQRFFWPT-YOSAUDMPSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156755
s1c(c2ccc(NC(=O)N(C[C@@H]3OCc4n(nnc4)CCCC(=O)N(C[C@@H]3C)[C@@H](CO)C)C)cc2)ccc1	PC-id_44506008	540.678	LQHROLCQRFFWPT-ROKPMTFOSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156756
s1c(c2ccc(NC(=O)N(C[C@@H]3OCc4nnn(CCCC(=O)N(C[C@@H]3C)[C@@H](CO)C)c4)C)cc2)ccc1	PC-id_44484519	540.678	CBDRATZBWBLMRC-ROKPMTFOSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156757
s1c(c2ccc(NC(=O)N(C[C@@H]3OCc4nnn(CCCC(=O)N(C[C@H]3C)[C@H](CO)C)c4)C)cc2)ccc1	PC-id_44484520	540.678	CBDRATZBWBLMRC-NMMYMHLASA-N	00000000100100110101100000000010000000000000000000000000	31-01-156758
s1c(c2ccc(NC(=O)N(C[C@H]3OCc4nnn(CCCC(=O)N(C[C@@H]3C)[C@@H](CO)C)c4)C)cc2)ccc1	PC-id_44485062	540.678	CBDRATZBWBLMRC-DCLXLUIPSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156759
s1c(c2ccc(NC(=O)N(C[C@H]3OCc4nnn(CCCC(=O)N(C[C@H]3C)[C@H](CO)C)c4)C)cc2)ccc1	PC-id_44485064	540.678	CBDRATZBWBLMRC-JXALWOEJSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156760
s1c(c2ccc(NC(=O)N(C[C@H]3OCc4nnn(CCCC(=O)N(C[C@@H]3C)[C@H](CO)C)c4)C)cc2)ccc1	PC-id_44485752	540.678	CBDRATZBWBLMRC-MZLICYQSSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156761
s1c(c2ccc(NC(=O)N(C[C@H]3OCc4nnn(CCCC(=O)N(C[C@H]3C)[C@@H](CO)C)c4)C)cc2)ccc1	PC-id_44486357	540.678	CBDRATZBWBLMRC-YOSAUDMPSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156762
s1c(c2ccc(NC(=O)N(C[C@@H]3OCc4nnn(CCCC(=O)N(C[C@H]3C)[C@@H](CO)C)c4)C)cc2)ccc1	PC-id_44486962	540.678	CBDRATZBWBLMRC-REHUZNOOSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156763
s1c(c2ccc(NC(=O)N(C[C@@H]3OCc4nnn(CCCC(=O)N(C[C@@H]3C)[C@H](CO)C)c4)C)cc2)ccc1	PC-id_44487416	540.678	CBDRATZBWBLMRC-SKPFHBQLSA-N	00000000100100110101100000000010000000000000000000000000	31-01-156764
Cc1c(cccc1c1cn(C)c(=O)c(c1)Nc1ccc(nn1)NC1CC1)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL12956034,PC-id_59557883	540.679	PUVIMCBLZPOAPA-UHFFFAOYSA-N	00100000100000111101100000000010000000000000000000000000	31-01-156765
Cc1ccc(cc2-c1c(cc2C(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C(=O)C)C(=O)c1ccccc1)C(C)C	PC-id_102042065	540.691	VPACUCLSSOITFJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156766
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(OCc4ccc(F)cc4)cc3)sc3c2CCCCCC3)c1	ZINC22_409012155	540.691	HUPWAKLUNVJKOG-JEPNHJGPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156767
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(OCc4ccc(F)cc4)cc3)sc3c2CCCCCC3)c1	ZINC22_409014151	540.691	MIEWUIDOINZZOI-JEPNHJGPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156768
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(OCc4ccc(F)cc4)cc3)sc3c2CCCCCC3)c1C	ZINC22_409012430	540.691	HZUFOPVEMNQPHC-JEPNHJGPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156769
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(OCc4ccc(F)cc4)cc3)sc3c2CCCCCC3)cc1C	ZINC22_409011639	540.691	GROXJGHZTBXZJB-JEPNHJGPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156770
CC(c1ccc(c2-c(c1)c(cc2C(=O)c1ccccc1)C(=O)c1cc(c2-c1cc(ccc2C)C(C)C)C(=O)C)C)C	PC-id_102042066	540.691	IFCAMAWGGSIVPJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-156771
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)Cc2ccccc2)cc1)C(=O)OC	PC-id_16833654	540.694	SJIDSRJNIKJGLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156772
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2occc2)ccc1)CC)C(=O)OCC	PC-id_18910364	540.694	ACSRSRCWRBBYFJ-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-156773
c1(NC(=O)CSc2nnc(COc3ccc(c(C)c3)C)n2CC=C)sc2c(CCCCC2)c1C(=O)OC	ZINC22_97949319,EMOLS-id_4205160,TIMTEC466984,PC-id_17380875,CoCoCo_6839635,MCULE-3675981813	540.697	TWOQSPIULKBPJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156774
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)C)C(=O)OC	PC-id_19642093	540.697	LRSGFPKMKGKNPQ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-156775
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC=C)C(=O)OCC	PC-id_19732463	540.697	JEYUODZJMVBNIZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156776
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC=C)C(=O)OCC	PC-id_19732117	540.697	VUVHAKCTHPWFMW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156777
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC=C)C(=O)OCC	PC-id_20123996	540.697	HCXISAJSZXVRSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156778
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC=C)C(=O)OC	PC-id_17265835	540.697	LTWKKKVADCVNLB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156779
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC=C)C(=O)OC	PC-id_19636006	540.697	ZZHNMIBKFKFDLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156780
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)CC=C)C(=O)OC	PC-id_19636360	540.697	GUAJUEVBKXBMKF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156781
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC=C)C(=O)OC	PC-id_19636705	540.697	AHNOZRXSGAESMO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156782
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC=C)C(=O)OC	PC-id_19643504	540.697	FCSRUHTZFIFZEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156783
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC=C)C(=O)OC	PC-id_20128906	540.697	FZJNPONJGZPFQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156784
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)CC=C)C(=O)OC	PC-id_21166440	540.697	LJDUKCBUXAYELR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156785
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)CC=C)C(=O)OCC	PC-id_17268707	540.697	SCAZVLMMXJQFFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156786
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC=C)C(=O)OCC	PC-id_19635062	540.697	WOOSQDONUCSJOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156787
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC=C)C(=O)OCC	PC-id_21165089	540.697	NPDNJLMXPBANSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156788
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)CC=C)C(=O)OCC	PC-id_21165519	540.697	HPXXAYOPZPSLSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156789
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC=C)C(=O)OC	PC-id_19632258	540.697	WXSBHMDMLBTVLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156790
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC)cc1)CC=C)C(=O)OC	PC-id_19732388	540.697	LTIHYRJHCSWUJP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156791
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(OCC)cccc1)CC=C)C(=O)OC	PC-id_17268918	540.697	GAQCTGKRGNAMDK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156792
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)Cc1ccc(OC)cc1)CC=C)C(=O)OC	PC-id_20123932	540.697	ZUARCHJRRIWZII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156793
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C)CC=C)C(=O)OC	PC-id_17304486	540.697	RHJQHANIGSTLEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156794
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccccc1)C)CC=C)C(=O)OC	PC-id_19634993	540.697	GAWIFSCCGOQXPN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156795
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cccc1)C)CC=C)C(=O)OC	PC-id_21165056	540.697	POUWRCAXRVMFRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156796
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(cc1)C)CC=C)C(=O)OC	PC-id_21165476	540.697	MWFLKFPPBHXQOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156797
s1c(/N=N/c2c3-c(cc2)ccccc3)ncc1SSc1sc(/N=N/c2c3-c(cc2)ccccc3)nc1	PC-id_21858647	540.705	HTFCCPCKDWRTSJ-JWTBXLROSA-N	00000010100000000111000000000010000000000000000000000000	31-01-156798
CCCCCCN1CCN(CC1)CCCOc1ccc(c(c1)F)C(=O)N1Cc2cnn(c2N/C(=C/C)/C1C)C	PC-id_143188854	540.716	LGFMPQCOBFKMLD-LYOATTTOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156799
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC)C(=O)OCC	PC-id_20124802	540.74	JOKWGJMXJHXKKC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156800
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC)C(=O)OC	PC-id_17303075	540.74	BKVMTIDAUHSVLP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156801
CC(c1nn(c2c1CN(CCC2)S(=O)(=O)C)CC(S(=O)(=O)N1CCCc2c(C1)c(n[nH]2)C(C)C)C)C	SCHEMBL20462778,PC-id_135296123	540.742	UIOQSPOYJSBVPR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156802
CCn1nc(c2c1CCN(C2)S(=O)(=O)CCn1nc(c2c1CCCN(C2)S(=O)(=O)C)C(C)C)C(C)C	PC-id_138592638,SCHEMBL20952893	540.742	AJLSHJJPFKXDKM-UHFFFAOYSA-N	00000000100010000101000000010010000000000000000000000000	31-01-156803
s1c2CCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)CSc1sc2c(n1)cccc2)C#N	PC-id_16541635	540.747	CAUNXKKSPCKZFT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-156804
C1(CCCCC1)/C=C/c1c2-c(c(c1)/C=C/c1c3-c(c(c1)/C=C/C)cc(C(C)C)ccc3C)c(ccc(c2)C(C)C)C	PC-id_59760284	540.82	KRHRXBHZTDOVFN-MJQXRPEISA-N	00000010100010000110000000000010000000000000000000000000	31-01-156805
C1(CCCCC1)C=Cc1c2-c(c(c1)C=Cc1c3-c(c(c1)C=CC)cc(C(C)C)ccc3C)c(ccc(c2)C(C)C)C	PC-id_72554584	540.82	KRHRXBHZTDOVFN-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-156806
FC(F)(F)Oc1ccc(COC(=O)N2CCc3nc(nn3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1Cl	SCHEMBL17112952,BindingDB-id_913890,PC-id_118394513	540.883	XCYZSXPLZQJZCC-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-156807
S1/C(=C/c2c3-c(c(c2)/C=C/2SC(=C(S2)SC)SC)ccccc3)/SC(=C1SC)SC	PC-id_15890962	540.914	CYJJJAGGMLMRNC-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-156808
CCC(c1cc(c(cc1)C(=O)O)N)NC(=O)N1Cc2nnc(n2CC(C1=O)Cc1c(ccc(c1)Cl)OC)C	PC-id_88994333,SCHEMBL13194825	540.999	FGBHJIJBAXBGCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156809
CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N1Cc2nnc(n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC)C	SCHEMBL12979687	540.999	FGBHJIJBAXBGCN-LAUBAEHRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156810
Clc1ccc(NC(=O)CCc2c(NC(=O)c3sc4CN(CCCc4n3)C(C)C)cc(cc2)C(=O)O)cc1	PC-id_25052424	541.062	CBGPZMQXTGAZJF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156811
Clc1sc(C(=O)NC2CC(OC(=O)NCCOC)N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_77947796	541.083	RDLCICPMAWZDBW-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-156812
Clc1sc(C(=O)N[C@@H]2C[C@H](OC(=O)NCCOC)N(C2)C(=O)c2sc3c(CCN(CC3)C)c2)cc1	PC-id_70893763,SCHEMBL13372953	541.083	RDLCICPMAWZDBW-QRWLVFNGSA-N	00000010100100000100000000000010000000000000000000000000	31-01-156813
Clc1ccc(N2CCN(Cc3c4-c(c(CN5CCN(CC5)c5c(OC)cccc5)c3)ccccc4)CC2)cc1	PC-id_71459761,BindingDB_PC-id_71459761	541.126	VDCBDIRJDJYCIZ-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-156814
CC[C@@H](CC(=O)N1CC2=NNC(=O)N2CC(C1=O)CC3=C(C=CC(=C3)Cl)OC)C4=CC(=C(C=C4)C(=O)O)N	PC-id_160202527	541.173	PGYBLVRWRVLMGH-MBIQTGHCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156815
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=CN=C(S3)CNC(=O)C2=O	PC-id_147902486	541.225	IENSFBCAWWRFBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156816
Brc1ccc(cn1)CC1(C)COc2c(S(=O)(=O)N1)cn(c2C(=O)Nc1ccc(c(c1)F)F)C	SCHEMBL18353483	541.366	OCXAHDVCNXYYFV-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-156817
O=C(O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br	ZINC22_408971958	541.457	MWBRURMMERGLNR-RWPZCVJISA-N	00000000100000110100000000000010000000000000000000000000	31-01-156818
Brc1cc2C(=Cc3[nH]c4c(CCCCC4)c3CCC(=O)NCCN3CCOCC3)C(=O)Nc2cc1	PC-id_72651824	541.48	ZECWVJVEXWIATL-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-156819
Brc1cc2/C(=C/c3[nH]c4c(CCCCC4)c3CCC(=O)NCCN3CCOCC3)/C(=O)Nc2cc1	SCHEMBL6694642,PC-id_60113735	541.48	ZECWVJVEXWIATL-XLNRJJMWSA-N	00000010100010100101000000001010000000000000000000000000	31-01-156820
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn(Cc2c(Cl)cccc2F)c1	PC-id_20173900	541.489	ZFPAKBUXIPRYIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156821
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nn(Cc2c(Cl)cccc2F)c1	PC-id_20173893	541.489	XIHQTBQQFCLCRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156822
Cc1cc(c(cc1)C)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(cc(c1O)OC)Br	PC-id_137051461	541.5	TVCTWJYAFQWLQL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156823
CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408969401	541.5	NFVJPSDZRHDCOZ-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156824
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OC	ZINC22_408972245	541.5	ODNAFMMRNBTICL-STBIYBPSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156825
COc1cc(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)c1O	ZINC22_408972420	541.5	TVCTWJYAFQWLQL-WKULSOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156826
O=CNC1=C(NC/C=CC(=C/C)c2nc3c([nH]2)C=C(CC=C3)C(F)(F)F)CC(C=N1)/C(=C/C)/C=C(/C(=O)O)C	PC-id_144322468	541.565	QVSUXKRNFNREKR-BAAVTRQRSA-N	00000000100011000111000000000010000000000000000000000000	31-01-156827
O=C(COc1cnc(nc1)C)N=CC1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451923	541.586	MDMLHBXGCKSNQD-QRWMCTBCSA-N	00000000100010100101000000000010000000000000000000000000	31-01-156828
O=C(NC(C(=O)NC(C(=O)NC1Cc2cnoc2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21109207,PC-id_138730056	541.596	MPFPRTXUWMYEHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156829
O=C(NC(C(=O)NC(C(=O)NC1Cc2ncoc2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21109866,PC-id_138730709	541.596	YPYLIJDIVGYSGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156830
O=C(NC(C(=O)NC(C(=O)NC1Cc2ocnc2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	PC-id_138730070,SCHEMBL21109221	541.596	NTCPFTKKJLDJFJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156831
O=C(NC(C(=O)NC(C(=O)NC1Cc2oncc2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	PC-id_138731016,SCHEMBL21110174	541.596	NKTPDGHWVMDQJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156832
O=C(NC(C(=O)NC(C(=O)NC1CCc2ncoc2CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	PC-id_138730865,SCHEMBL21110023	541.596	NFWIFTZRHXXBMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156833
O=C(NC(C(=O)NC(C(=O)NC1CCc2ocnc2CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21109512,PC-id_138730358	541.596	WVVFBRNGQFDKLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156834
O=C(NC(C(=O)NC(C(=O)NC1Cc2cnnn2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21109453,PC-id_138730299	541.599	YJGLNSPLESKOET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156835
O=C(NC(C(=O)NC(C(=O)NC1Cc2ncnn2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	PC-id_138730322,SCHEMBL21109476	541.599	JUAPPEYXHRJGHG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156836
O=C(NC(C(=O)NC(C(=O)NC1Cc2nncn2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	PC-id_138730978,SCHEMBL21110136	541.599	HDMUOCAHGGXAJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156837
C1N(CCC(C(=O)OCC)C1)C(=O)CCN(CC)C(=O)c1cc2n(n1)CCCN(Cc1ccc(cc1)F)C2=O	PC-id_46049542,EMOLS-id_25387076,MCULE-2494823598	541.614	YTJLORMZMNYQKA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156838
CC(C(=O)N/C(=C(/C=C/1C(=C)NC(=O)C1=C/c1[nH]c2c(c1C)C(=O)N(CCC2)CCN1CCOCC1)F)/C)O	PC-id_145511804	541.614	JAEQJEHRXGTZKA-RGDSWIFTSA-N	00000010100010000101000000000010000000000000000000000000	31-01-156839
CCOC(=O)C1CCCN(C1)C(=O)CCN(CC)C(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCCn2n1	MCULE-6292550130,EMOLS-id_25386842,PC-id_46049543	541.614	NCIRFQAQEKQLFM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156840
CCOC(=O)[C@H]1CCCN(C1)C(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)CC	PC-id_98422785	541.614	NCIRFQAQEKQLFM-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156841
CCOC(=O)[C@@H]1CCCN(C1)C(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccc(cc1)F)CC	PC-id_98422786	541.614	NCIRFQAQEKQLFM-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156842
CCOc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1OCC(=O)N1CCOCC1	EMOLS-id_43717342,ZINC22_103115734,PC-id_4833638,CoCoCo_2903597,MCULE-8163961113	541.616	OQDUSVUUIILJIO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156843
CO/C(=C(OCCCNNCC1(N)COCC1)/C)/C=c
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CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CCc1cc(c2-c1cccc(c2)C(C)C)C(=O)OC	PC-id_102236958	541.634	LQAMRTZYZAACRO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-156845
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)sc2c1CCCCC2	PC-id_121040777	541.639	INOWQHMDVLGGQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156846
CCOC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccccc2)sc2c1CCCCC2	PC-id_121041832	541.639	XOCYXURCCZTAMB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156847
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccccc2)sc2c1CCCCC2	PC-id_121043857	541.639	NGKQQVYHBRTVMZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156848
COC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)C)sc2c1CCCCC2	PC-id_121042634	541.639	DWFPMEXDLQNNKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156849
COC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)C)sc2c1CCCCC2	PC-id_121044255	541.639	QEPLXFPQWVOUNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-156850
COCCC(=O)N1C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2nc(C)nc2[C@H](Cc2ccccc2)NC(=O)C1)C(C)C	ZINC22_1704316972,MCULE-1707729125,PC-id_135102232,EMOLS-id_317376908	541.642	FIDSTJKFPAZZCC-BVYCBKJFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156851
COC(=O)C1CCCCNC(=O)C(n2cc(CCC(=O)NCCCCC(C(=O)N1)N)nn2)Cc1ccccc1	PC-id_134843286	541.642	KBUDKHYRMUPZPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156852
CCN(CCN1CCCc2c(C1(C)O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)c(c2)NC(=O)C(O)(C)C)CC	PC-id_145511629	541.657	FNEKFSGCFNVTSP-CYVLTUHYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-156853
Cc1ccc(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3cccc(C)c3C)CCCCCC4)o2)cc1[N+](=O)[O-]	ZINC22_409011134	541.661	DRVOVYICSVRDGV-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-156854
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(c4ccc(C)c([N+](=O)[O-])c4)o3)sc3c2CCCCCC3)c1	ZINC22_409015933	541.661	PSQGKSDMEYNSLR-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-156855
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(c4ccc(C)c([N+](=O)[O-])c4)o3)sc3c2CCCCCC3)c1	ZINC22_409019828	541.661	XQUZBOWXCPJBNJ-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-156856
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(c4ccc([N+](=O)[O-])cc4C)o3)sc3c2CCCCCC3)c1	ZINC22_409013476	541.661	KMJNXUWSADSBML-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-156857
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(c4ccc([N+](=O)[O-])cc4C)o3)sc3c2CCCCCC3)c1	ZINC22_409017683	541.661	STAWHMBUQTXUOR-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-156858
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(c4cc([N+](=O)[O-])ccc4C)o3)sc3c2CCCCCC3)c1	ZINC22_409017498	541.661	RUYMIGFUYOJCIB-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-156859
S(C1(SCC)c2n(CCCCN3CCC(CC3)C(=O)c3ccc(F)cc3)ccc2C(=O)N(CC1)C)CC	PC-id_22011270	545.775	UTHMADSKXPCFSX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-157270
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(c4cc([N+](=O)[O-])ccc4C)o3)sc3c2CCCCCC3)c1	ZINC22_409020027	541.661	YQXJMFVLCBPAGY-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-156860
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(c4ccc(C)c([N+](=O)[O-])c4)o3)sc3c2CCCCCC3)cc1C	ZINC22_409013546	541.661	KSJUMDGMOMHFOV-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-156861
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(c4ccc([N+](=O)[O-])cc4C)o3)sc3c2CCCCCC3)cc1C	ZINC22_409014524	541.661	MSUAIPYTYUILAG-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-156862
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(c4cc([N+](=O)[O-])ccc4C)o3)sc3c2CCCCCC3)cc1C	ZINC22_409016620	541.661	QWHWBAFAWASBHL-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-156863
Cc1ccc([N+](=O)[O-])cc1c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)o1	ZINC22_409020067	541.661	YWQZNLNDONXZLZ-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-156864
Cc1cc([N+](=O)[O-])ccc1c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)o1	ZINC22_409013024	541.661	JVRJQKJFRCXDAR-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-156865
S(=O)(=O)(NC(=O)c1ccccc1)c1c(c2ccc(Cn3c4c(nc3CCC)CCCCC4=O)cc2)cccc1	PC-id_44213450	541.661	OPQALQWNBXXWRS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156866
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-3448285337,PC-id_3534315,EMOLS-id_16381911,CoCoCo_2661283	541.685	IILPRWMMYQEQIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156867
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_16381917,MCULE-7551280503,PC-id_4111684,CoCoCo_2661315	541.685	CLUZFJHQKWUILD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156868
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC)C#N	PC-id_19731290	541.685	MSYBUWUBQMUPOE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156869
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)c1ccc(N2CCN(CC2)C)cc1)C	PC-id_75036151	541.686	MSGDIDWYZNYHQU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156870
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Nc1ccc(N2CCCCC2)cc1)C	PC-id_75036258	541.686	WJAIMBKFVIKGAD-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156871
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1ccc(N2CCN(CC2)C)cc1)C	CHEBI:95532,PC-id_44486954	541.686	OIASBGFOQSUHIL-VVZHRXSXSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156872
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1ccc(N2CCN(CC2)C)cc1)C	CHEBI:96013,PC-id_44488685	541.686	OIASBGFOQSUHIL-MCEYFSPLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156873
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1ccc(N2CCN(CC2)C)cc1)C	CHEBI:96145,PC-id_44485051	541.686	OIASBGFOQSUHIL-XLGIIRLISA-N	00000000100010110101100000000010000000000000000000000000	31-01-156874
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1ccc(N2CCN(CC2)C)cc1)C	CHEBI:96356,PC-id_44484515	541.686	OIASBGFOQSUHIL-VRUMLPLGSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156875
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1ccc(N2CCN(CC2)C)cc1)C	CHEBI:96865,PC-id_44485056	541.686	OIASBGFOQSUHIL-DRLORSAXSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156876
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1ccc(N2CCN(CC2)C)cc1)C	CHEBI:97015,PC-id_44486348	541.686	OIASBGFOQSUHIL-TVZXLZGTSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156877
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1ccc(N2CCN(CC2)C)cc1)C	PC-id_44484511,CHEBI:96737	541.686	OIASBGFOQSUHIL-AOJNWGRGSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156878
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C(=O)c1ccc(N2CCN(CC2)C)cc1)C	PC-id_44485743,CHEBI:95697	541.686	OIASBGFOQSUHIL-UFPGJGBJSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156879
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O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Nc1ccc(N2CCCCC2)cc1)C	CHEBI:96949,PC-id_44505421	541.686	WJAIMBKFVIKGAD-AOJNWGRGSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156897
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Nc1ccc(N2CCCCC2)cc1)C	PC-id_44505202,CHEBI:96778	541.686	WJAIMBKFVIKGAD-MCEYFSPLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156898
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Nc1ccc(N2CCCCC2)cc1)C	PC-id_44505414,CHEBI:96984	541.686	WJAIMBKFVIKGAD-UFPGJGBJSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156899
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Nc1ccc(N2CCCCC2)cc1)C	PC-id_44505417,CHEBI:112591	541.686	WJAIMBKFVIKGAD-TVZXLZGTSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156900
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Nc1ccc(N2CCCCC2)cc1)C	PC-id_44505428,CHEBI:96880	541.686	WJAIMBKFVIKGAD-DRLORSAXSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156901
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Nc1ccc(N2CCCCC2)cc1)C	PC-id_44505603,CHEBI:96945	541.686	WJAIMBKFVIKGAD-XLGIIRLISA-N	00000000100010110101100000000010000000000000000000000000	31-01-156902
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C(=O)Nc1ccc(N2CCCCC2)cc1)C	PC-id_44505801,CHEBI:113446	541.686	WJAIMBKFVIKGAD-VVZHRXSXSA-N	00000000100010110101100000000010000000000000000000000000	31-01-156903
CCOC(=O)Cn1c(C)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2C)CCCCCC3)c2ccccc12	ZINC22_409019912	541.704	XYOJXHLVDBBHRJ-HNSNBQBZSA-N	00000000100000110100000001100010000000000000000000000000	31-01-156904
CCOC(=O)Cn1c(C)c(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2)CCCCCC3)c2ccccc12	ZINC22_409012471	541.704	IETUJMYKYWYATM-HNSNBQBZSA-N	00000000100000110100000001100010000000000000000000000000	31-01-156905
CCOC(=O)Cn1c(C)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCCCC3)c2ccccc12	ZINC22_409012916	541.704	JENHXFKTLKULQX-HNSNBQBZSA-N	00000000100000110100000001100010000000000000000000000000	31-01-156906
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc(c2)C)C(=O)OC	PC-id_4690491	541.705	MOSYHCIATLJSIE-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-156907
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)cccc2)C(=O)OCC	PC-id_4055612	541.705	VHPNBSQCLYKLAS-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-156908
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)CCCCN1CCSc2c(C1=O)cc(s2)C	PC-id_139603495	541.719	CHVYFASTKLEGNH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156909
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC)C(=O)OC	PC-id_17307339	541.728	NYEXNFXYRPORQQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156910
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)C)C(=O)OCC	PC-id_19641825	541.728	KJMYYMVLPKWBHM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156911
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)C)C(=O)OC	PC-id_19641755	541.728	XHLVCAOUDSEAMU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156912
CC1CC(=CC=CC(=O)OC(Cc2nc(cs2)CCCC(C(=O)O1)N)C=C(C)C=CC(=CCN(C)C)C)C	PC-id_89059051	541.745	PPYBVIJMCIUIAI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156913
CC1CC(CC(=O)OC(CC(=CC=CC(=O)OC(c2nc1cs2)C=C(C)C=CC(=CCN(C)C)C)C)C)N	PC-id_90437455	541.745	HSCFPIOGJJNKQY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156914
CC1CC(CC(=O)OC(CC(=CC=CC(=O)OC(Cc2nc1cs2)C=C(C)C=CC(=CCNC)C)C)C)N	PC-id_89953123	541.745	MECBQDJSAWWHMM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156915
Cc1cc(nc(c1CN1CCCc2c(C1=O)c(c(s2)C(C)C1CCN(CC1)C(=O)OC(C)(C)C)C)OC)C	SCHEMBL20240340,PC-id_134587807	541.745	RDOCALGOSJPOBK-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-156916
CCc1c(CN(CCCS(=O)(=O)C)C)c2=CCC(=CC=c2n1C)N/C/1=C/C=C(C)/OCCOC(=C=CC1)C	PC-id_144264015	541.745	HOYKVQUQZLZING-DWGHPKEWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156917
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CC(C)OC(=O)C(CCCc2nc(C1)sc2)N)/C)C)C	PC-id_139469622,SCHEMBL21335528	541.745	PPYBVIJMCIUIAI-AMVSGZDGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156918
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CC(C)OC(=O)CC(CCc2nc(C1)sc2)N)/C)C)C	SCHEMBL19430624	541.745	OKCOLQKYUABEJR-NRWXMPBRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156919
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CC(C)OC(=O)[C@H](CCCc2nc(C1)sc2)N)/C)C)C	SCHEMBL13315910	541.745	PPYBVIJMCIUIAI-LTHVSAINSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156920
CN(C/C=C(C=CC(=CC1OC(=O)/C=C/C=C(/C)C[C@H](C)OC(=O)CC(CC(c2nc1sc2)C)N)C)/C)C	SCHEMBL16072271	541.745	HSCFPIOGJJNKQY-RKWKOMTQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156921
CNC/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)C[C@@H](C[C@@H](c2nc(C1)sc2)C)N)/C)C	SCHEMBL15452274	541.745	MECBQDJSAWWHMM-SGJWTEMFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156922
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)C[C@@H](CCc2nc(C1)sc2)N)/C)C)C	SCHEMBL19430626	541.745	OKCOLQKYUABEJR-GFYARHHKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156923
CNC/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)C[C@@H](C[C@@H](c2nc(C1)sc2)C)N)/C)C	SCHEMBL16103927	541.745	MECBQDJSAWWHMM-JUFLITJZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156924
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)[C@H](CCCc2nc(C1)sc2)N)/C)C)C	PC-id_122597422,SCHEMBL18123249	541.745	PPYBVIJMCIUIAI-YSUJDPHOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156925
COc1nc(C)cc(c1CN1CCCc2c(C1=O)c(C)c(s2)[C@@H](C1CCN(CC1)C(=O)OC(C)(C)C)C)C	SCHEMBL18362844	541.745	RDOCALGOSJPOBK-HXUWFJFHSA-N	00000000100010101100000000000010000000000000000000000000	31-01-156926
s1cc2nc1CC(OC(=O)C=CC=C(CC(OC(=O)CC(N)CC2C)C)C)/C=C(C)/C=C/C(=C/CNC)/C	PC-id_23314925	541.745	MECBQDJSAWWHMM-KQBJMSBHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-156927
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)CC)C#N	PC-id_19718290	541.752	PHQVHUHFRSDIMM-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-156928
O(N(C(C1(CCCCC1)C#N)c1c2-c(c(c1)C(=O)C)c(ccc(c2)C(C)C)C)C(C)(C)C)C1([N+]#[C-])CCCCC1	PC-id_23386171	541.767	JVDPKCGXBXLQLE-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-156929
Clc1ccc(S(=O)(=O)c2cc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)cc(OC)c2)cc1	PC-id_19523804	541.97	HDBYKOPSOMTTSN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156930
CCC1(CC)CNCCN1C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700391	541.994	MTFFFDHFDROBIU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156931
CCN1CCN(C(C1)(C)C)C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700476	541.994	DFCHFLXBQVOFIA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156932
COc1ccc(cc1CN(C(=O)c1sc2c(c1Cl)C(=CCC=C2F)F)C1CCCCC1)c1cnccn1	PC-id_143520225	542.04	MLNARYPNOABMPV-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-156933
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)cc1C)C	PC-id_19634706	542.116	PCHFAAGKZWSKQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156934
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)C)cc1)C	PC-id_19641276	542.116	TWBBJQCYLFIVSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156935
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)C)cc1)C	PC-id_20122431	542.116	BCRBUUQYGHDVSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156936
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cc1)C	PC-id_19634362	542.116	ZYRVLPVRQAKANX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156937
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cc1)C	PC-id_20122104	542.116	BCCYJLCOUOCXQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156938
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)C)ccc1	PC-id_17267592	542.116	GMOOGGIGSHVBTP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156939
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)C)cc(cc1)C	PC-id_19635328	542.116	PPKPPDQDLIQEBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156940
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cc(cc1)C	PC-id_21164137	542.116	VQQRXGMRCYOGFP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156941
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)C)cccc1	PC-id_19638762	542.116	XLFZTOSMAOJNES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156942
Clc1ccc(S(=O)(=O)N2CCN(CC2)C(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1	PC-id_20180865	542.134	IFYMCRZBXOHQKS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156943
Clc1ccc(S(=O)(=O)N2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1	PC-id_20180858	542.134	BAHAANCISRPLCD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156944
CC/C=CC=C(/CCl)c1cc(=NCc2cc(ccc2)NC(=O)CSc2ccccc2)n2c(c(cn2)C)cc1	PC-id_163575437	542.191	WTHKUWGLZORDMH-VCUNHDNGSA-N	00000000100000110111000000000010000000000000000000000000	31-01-156945
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=NN=C(S3)CNC(=O)C2=O	PC-id_161465758	542.22	WCKIDNIYGFISPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156946
CN1C=C2C(=N1)C=CC=C2C(=O)CC3CCC(CC3)CCN4CCC5=C(CC4)SC(=N5)OC6CC(C6)(F)F	PC-id_148040237	542.253	JEIHAUPVLRFVDJ-UHFFFAOYSA-N	00001000100010100101000001000010000000000000000000000000	31-01-156947
BrCC1(COc2c(OC1)c(sc2C(=O)OCCCC)C(=O)OCCCC)CBr	PC-id_59089975	542.279	KCXOZKKIIBJZKX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156948
CC1=C(C=CC(=C1)C2=CC(=NC=N2)NC3=NN4CCCN(CC4=C3)CCO)CCC(=O)C5=CN(N=C5)C(C)(C)C	PC-id_161652313	542.312	CXONGFOTBXGASJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156949
CCCCCCOCC1(COCCCCCC)COc2c(OC1)c(sc2Br)Br	PC-id_101582605	542.365	UTNPPHARAZBIOF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156950
CCCCC1=NC2=C(N1CCCCNC(=O)/C=C/C(=C)C3=CC=C(C=C3)N(C)C)/C(=C/CC/C=C/N=C2N)/CC	PC-id_154682736	542.373	MGOFYNNRXLHAGH-TUODKFRDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-156951
Brc1ccc(c(c1)F)Nc1cc(=O)n(cc1C(=O)N(CC(c1nc2c([nH]1)CC=CC=C2)(O)C)C)C	PC-id_143442391	542.4	URADRIOIPIQQFQ-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-156952
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC1CNC1)Nc1c(cc(cc1)I)F)C	PC-id_91608545	542.409	XWECSUIVMGQANQ-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-156953
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CC(C2)CN)cc1	PC-id_69069058,SCHEMBL4501479	542.409	YUEFFGLDJYALGA-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-156954
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2C[C@H](N)CC2)cc1	PC-id_69071285	542.409	LEDLVCNICZEFCW-GFCCVEGCSA-N	00000010100000110100000000000010000000000000000000000000	31-01-156955
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CC(N)CC2)cc1	PC-id_77598542	542.409	LEDLVCNICZEFCW-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-156956
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NC2CCNC2)cc1	PC-id_76537067	542.409	CCKLGAATCPQJFO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-156957
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N[C@@H]2CCNC2)cc1	PC-id_57396757	542.409	CCKLGAATCPQJFO-GFCCVEGCSA-N	00000010100000110100000000000010000000000000000000000000	31-01-156958
FC(F)(F)c1nn(c2CCCCCc12)CC(=O)Nc1cc(Oc2cc(ccc2)C(F)(F)F)cc([N+](=O)[O-])c1	PC-id_19523837	542.43	QDCSTAFKAGXMNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156959
CCCCCCCCCCCCNc1nc(=O)c2c(nc(Br)n2Cc2ccc(OC)cc2)c(=O)[nH]1	CHEMBL199350,PC-id_15955479	546.5	NQTIYESMJVBJKX-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-157290
Fc1cc(COC(=O)N2CCc3nc(nn3CC2)C(=O)N2CC[C@H]3NC(=O)O[C@@H]3C2)ccc1OC(F)(F)F	BindingDB-id_913892,PC-id_118394525,SCHEMBL17112964	542.44	DLKHGKQJQFWHGU-GDBMZVCRSA-N	00000010100010110101000000000110000000000000000000000000	31-01-156960
Brc1c2NC(=O)C(=Cc3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)c2cc(NC(=O)C)c1	PC-id_25130627	542.468	FPMZLNLWBIMFII-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-156961
Brc1n(c2cc1C(C(CCCCCCCC2)(C(=O)OC)C(=O)OC)C(C)C)C(=O)OC(C)(C)C	PC-id_10875245	542.503	DEYQMIWCYWTHKQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-156962
Brc1ccc(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cc1	PC-id_19729479	542.514	JNJXIZVCYCSOIF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156963
COCCOCc1nc2=C(CC=C(C=c2[nH]1)NC(=O)c1ccccc1C(F)(F)F)NOc1cccc(c1C)C	PC-id_144531986	542.549	KFRGUBMRKMYZJI-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-156964
O1C(CCOCCCOC(=O)c2c(C(=O)OCCCOCCC(OC(=O)CCOCCC1=O)C)coc2)C	PC-id_21680159	542.573	UEFVOMRUSFBTOM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156965
O1CCC(OC(=O)c2c(C(=O)OC(CCOCCCOC(=O)CCOCCC(=O)OCCC1)C)coc2)C	PC-id_21680160	542.573	KJYGHWSIGPHRIY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-156966
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C(=O)OCC)C(=O)OCC	SCHEMBL9335436,PC-id_54086492	542.579	MQWATLOPATWVNV-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-156967
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1ccccc1	EMOLS-id_317504165,PC-id_137339064,ZINC22_1772713557,MCULE-1398576603	542.584	PEQOJOMTFQOKGC-GQSCTRQFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156968
O=C(NC(C(=O)NC(C(=O)NC1Cc2nnoc2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21110669,PC-id_138731475	542.584	UEHLBPLOKLFHJQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156969
O=C(NC(C(=O)NC(C(=O)NC1CCc2nnoc2CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	PC-id_138730980,SCHEMBL21110138	542.584	DKWGZKHRVUYJDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156970
O=C(NC(C(=O)NC(C(=O)NC1CCc2onnc2CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	PC-id_138730984,SCHEMBL21110142	542.584	KOMHHWQUJLTSBV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156971
CCCCN1C(=O)NC(=O)NC(=O)NCC(=O)N[C@H](C(=O)N[C@H](c2oc(C1CC)nn2)C)Cc1ccccc1	SCHEMBL18652957	542.587	OXWBPFOVIHLBMA-LUIZSJORSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156972
O1C(C(O)C(O)C(O)C1CO)c1c(ccc(c1)Cc1c(c2-c(c1C(=O)OC)ccccc2)Cc1ccccc1)C	PC-id_72423723	542.619	XADJBZLKSRQJCI-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-156973
O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(ccc(c1)Cc1c(c2-c(c1C(=O)OC)ccccc2)Cc1ccccc1)C	PC-id_58786240,SCHEMBL5274528	542.619	XADJBZLKSRQJCI-ICLVLUFYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-156974
O1[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(ccc(c1)Cc1c(c2-c(c1C(=O)OC)ccccc2)Cc1ccccc1)C	SCHEMBL5274532,PC-id_69382156	542.619	XADJBZLKSRQJCI-AIXQGADWSA-N	00000010100010110110100000000010000000000000000000000000	31-01-156975
C[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCCN(Cc2cc(no2)C(=O)N1)CCO)Cc1ccccc1)CC(C)C	PC-id_137341036,MCULE-8345756230	542.627	QTEKKQSTJTZCFM-STZQEDGTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156976
O=C(NC(C(NC(C(=O)NC1Cc2nccn2CCNC(=O)C1=O)C(C)C)O)C(C)C)OCc1ccccc1	SCHEMBL21110153,PC-id_138730995	542.627	GHMJDWNTYGTZGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156977
Cn1nc2c(c1)c(ccc2)C(=O)N=CC1CCC(CC1)CCN1CCc2c(CC1)cnn2CCCC(F)(F)F	PC-id_145451529	542.639	OOYKLSJCALHALX-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-156978
OC(=O)/C=C/C1=Cc2n(C)cc(c2C=CC1)C(c1ccc2c(c1)OCO2)C(=O)NSc1ccc(cc1)C(C)C	PC-id_141886048	542.645	NXILCLBHKCTIOC-VGOFMYFVSA-N	00000010100000110111000000001010000000000000000000000000	31-01-156979
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)C(=O)OC	PC-id_18897860	542.667	CBHVCGWGAGDUHW-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-156980
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(n2c(nnc2SC)C)cc1)CC)C(=O)OC	PC-id_23860606	542.67	MWTCKAGOGYAXER-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156981
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(n2c(nnc2SC)C)cc1)C)C(=O)OCC	PC-id_23774008	542.67	BBXDVMQSUHQQJN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156982
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC=C)C(=O)OC	PC-id_19731096	542.67	DPRDPJLUYXWCQG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156983
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)CC=C)C(=O)OC	PC-id_19633431	542.67	ORUMYDBWTKALRQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156984
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(n2c(nnc2SC)C)cc1)C)C(=O)OC	PC-id_24109902	542.67	KLPZHWYGDRRDGE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156985
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1ccc(n2c(nnc2SC)C)cc1)C(=O)OCC	PC-id_23887744	542.67	UUEUCBDLENSORS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156986
O=C(Cc1cnc(s1)C)N=CC1CCC(CC1)CCN1CCc2c(C(C1)C)nc(s2)OCC(F)(F)F	PC-id_145451980	542.68	IYAOUCDYOJRGJR-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-156987
C/C=CC=C
/CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)OCCCN1CCN(CC1)S(=O)(=O)C	PC-id_143188997	542.693	VPOGDKIRRHHSER-JPVJOJPTSA-N	00000000100010110101000000000010000000000000000000000000	31-01-156988
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC)C(=O)OC	PC-id_19732627	542.713	DANJFIZZLMMJGT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156989
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC)C(=O)OC	PC-id_19732965	542.713	FMMZXTXMVAARKH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156990
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)C)C(=O)OCC	PC-id_17302251	542.713	XJMSFYNKMNHHII-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156991
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)C)C(=O)OCC	PC-id_19732586	542.713	FBHNUJKEJKYJKK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-156992
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC)C(=O)OC	PC-id_19636936	542.713	FGDJXUVHKFOMRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156993
C1CC(=Cc2ccccc2c2cn(cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccnn2C1	SCHEMBL20638581,PC-id_137406219	546.66	JFOWITCNPFBHBL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157308
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC)C(=O)OC	PC-id_19637287	542.713	IGDLAYJLWRYZGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156994
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC)C(=O)OC	PC-id_19637623	542.713	IWZILPJWKJUORF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156995
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)CC)C)CC)C(=O)OC	PC-id_19638985	542.713	QYCVQQVLODNRRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156996
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC)C(=O)OC	PC-id_19643728	542.713	MCGVHSBAEZMEPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156997
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)C)C(=O)OCC	PC-id_17269343	542.713	SFBPKEYPUBWWBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156998
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC)C(=O)OCC	PC-id_17304097	542.713	WOCVWAAPFSMKCV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-156999
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)C)C(=O)OCC	PC-id_17306227	542.713	WBOIGQAWSKVFJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157000
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC)C(=O)OCC	PC-id_17307699	542.713	CGQAHZZVRXMFEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157001
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)C)C(=O)OCC	PC-id_17307727	542.713	OBBAKRRAGSJRBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157002
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC)C(=O)OCC	PC-id_19635973	542.713	PFWJYFOCXCXJRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157003
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)CC)C(=O)OCC	PC-id_19636318	542.713	LOCPYKJCBNVEER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157004
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC)C(=O)OCC	PC-id_19636667	542.713	UKGCGTVHQNFBOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157005
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)C)C(=O)OCC	PC-id_19637593	542.713	HBAOEYKTZFAAJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157006
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)CC)C(=O)OCC	PC-id_21165746	542.713	OKABSGALTGVFNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157007
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC)C(=O)OCC	PC-id_21166079	542.713	HLOIMJRPRZDZMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157008
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)CC)C(=O)OCC	PC-id_21166396	542.713	XVMQDBGFJITIEN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157009
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(CC)cc1)C)C)C(=O)OCC	PC-id_17269526	542.713	AEELKMUYIQQFGX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157010
O=C1/C(=C/c2ccccc2c2ncn(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2)/CCCn2c1ccn2	SCHEMBL19044423	546.66	JFOWITCNPFBHBL-XLVZBRSZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157309
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC)C(=O)OCC	PC-id_19632230	542.713	LXTAFSGHITULDT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157011
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC)C(=O)OC	PC-id_17267295	542.713	GGBPWTAHNSGLBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157012
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)C)C(=O)OC	PC-id_19639162	542.713	USXJXHLGHXDSNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157013
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)C)C(=O)OCC	PC-id_19632385	542.713	KNMVESGWQNGWGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157014
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_19632604	542.713	JGGXFQDKQFBUBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157015
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)C)C(=O)OC	PC-id_19732504	542.713	OMILSTQXXJJPIQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157016
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)C)C(=O)OC	PC-id_19732857	542.713	MKXUAOLWYNIONA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157017
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC)C(=O)OC	PC-id_17263230	542.713	SQRQDPDOANPQAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157018
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)CC)C(=O)OC	PC-id_19636240	542.713	OCFUYVNWLFMCLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157019
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC)C(=O)OC	PC-id_19636589	542.713	JKSCXIFRRZLRBC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157020
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)C)C(=O)OC	PC-id_19636819	542.713	LOGOGDKWNRGCIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157021
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)C)C(=O)OC	PC-id_19637177	542.713	GKOMHQFXGIORAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157022
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)C)C(=O)OC	PC-id_19637521	542.713	ZOGCQGWJIBIDST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157023
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC)C(=O)OC	PC-id_19643419	542.713	AYLVGRKKRVPHFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157024
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)C)C(=O)OC	PC-id_19643604	542.713	SUMMZIYXWVHSGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157025
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC)C(=O)OC	PC-id_20128803	542.713	NPLRYUJDGZRWRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157026
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)CC)C(=O)OC	PC-id_21165671	542.713	FACBBMGMUVHVSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157027
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC)C(=O)OC	PC-id_21166004	542.713	FGHJBACSJGLSDX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157028
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)CC)C(=O)OC	PC-id_21166312	542.713	QPKFOUCVLNJNPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157029
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(CC)cc1)C)C)C(=O)OC	PC-id_17262371	542.713	XSCNDQDKNVXCSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157030
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC)C(=O)OC	PC-id_17265715	542.713	DAYYYBVUSKTIIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157031
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)C)C(=O)OC	PC-id_19632331	542.713	NATBJQMSWYGGEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157032
c1(NC(=O)c2ccc(cc2)C(=O)Nc2sc3c(CCCCCC3)c2C#N)sc2c(CCCCCC2)c1C#N	PC-id_5235293,ZINC22_2746513,TIMTEC93097,MCULE-7689416739,EMOLS-id_4189192,CoCoCo_6785785	542.715	CBMYQNSHLUMCSA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157033
C/C=CC=C
/C(=C)Nc2c(CN1C(=O)c1ccc(c(c1)C)CCC(=O)N(C1CC1)CC1CCNCC1)cnn2C	PC-id_143188813	542.715	GUMOUKVEVJMRDT-SJSDUQAOSA-N	00100000100010110101000000000010000000000000000000000000	31-01-157034
s1c2CCCCCCc2c(c1NC(=O)c1cc(C(=O)Nc2sc3CCCCCCc3c2C#N)ccc1)C#N	PC-id_5053916	542.715	GRZCRIVOUXHPGC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157035
s1c2CCCCCCc2c(c1NC(=O)c1c(C(=O)Nc2sc3CCCCCCc3c2C#N)cccc1)C#N	PC-id_4619641	542.715	ZDHYUCACWMYIEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157036
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2sccc2)ccc1)CC)C(=O)OCC	PC-id_18911154	542.733	XOIVCMYDAJORJN-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-157037
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2sccc2)ccc1)CC)C(=O)OC	PC-id_18911155	542.733	TZEPXHKXHMVPCH-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-157038
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2sccc2)ccc1)C)C(=O)OCC	PC-id_18911090	542.733	KFTHVLVBNHKWDY-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-157039
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)C[C@@H](CCc2nc(C1)sc2)[NH3+])/C)C)C	PC-id_141679016	542.753	OKCOLQKYUABEJR-GFYARHHKSA-O	00000000100000000111000000000010000000000000000000000000	31-01-157040
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CCCCC2)ccc1)CC)C(=O)OCC	PC-id_18911814	542.753	HAFJWERFQAJHBV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-157041
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CCCCC2)ccc1)CC)C(=O)OC	PC-id_18911815	542.753	KLVRVDRKSUKEOW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-157042
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CCCCC2)ccc1)C)C(=O)OCC	PC-id_18911750	542.753	ZDPOJUKXNJKONX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-157043
CCCCN(CCCC)CCN1CCN(CC1)c1cc(c(cc1)C(=N)C)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136496471	542.758	XODCAOLUDHBOBS-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-157044
CCC(c1cc(c(cc1)C(=O)O)N)NC(=O)N1Cc2n[nH]c(=O)n2CC(C1=O)Cc1c(ccc(c1)Cl)OC	PC-id_88994784,SCHEMBL13194368	542.971	VBVDJCSKERVLGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157045
CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N1Cc2nnc(n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC)O	SCHEMBL12980845	542.971	VBVDJCSKERVLGI-HNAYVOBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157046
CC[C@@H](NC(=O)N1Cc2nnc(O)n2CC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)O)c(N)c1	BindingDB-id_267666,BindingDB_PC-id_90657076	542.971	VBVDJCSKERVLGI-XCWJXAQQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157047
CCC(c1c(=O)[nH]c2-c1ccccc2)N(c1cc(ccc1C)NC(=O)Nc1cc(ccc1Cl)C(F)(F)F)C	PC-id_144080569	542.98	QHTRBGRUQABAQC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157048
Clc1ccc(CC(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)cc1	PC-id_18909404	543.097	ISKOJZINTNGVFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157049
Clc1cc(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)ccc1	PC-id_18910427	543.097	MIYJBNHWPFXLEO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157050
Clc1cc(C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)ccc1	PC-id_18910461	543.097	DJHXGLRCTGNIIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157051
Clc1cc(C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)ccc1	PC-id_18910462	543.097	FHRMWDPBVSIVJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157052
N#CC1=Nc2c(C=CC1=C)cc(n2CC(C)(C)C)CN1C(=O)C(=C[C@@H](C1=O)C(C)C)CCc1ccc(cc1)Cl	PC-id_142217339	543.099	PVVGNUCBCMUJLR-HHHXNRCGSA-N	00000000100011110110000000000010000000000000000000000000	31-01-157053
BrC1CCc2c(CCC1Br)c(n(c2C(F)(F)F)C(=O)OC(C)(C)C)C(F)(F)F	PC-id_138968951	543.137	SWCMYKQRFPGROL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-157054
CCN1C(=O)C=CC=C1C(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F	PC-id_146947815	543.218	AIDCDCJMMUODEA-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-157055
CC1=NC=C(S1)CC(=O)CC2CCC(CC2)CCN3CCC4=C(CC3)SC(=N4)OCCCC(F)(F)F	PC-id_161579400	543.22	WQROTXHHNMWTDU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-157056
Clc1c(Oc2cc(NC(=O)Cn3nc(c4c3CCCCC4)C(F)(F)F)cc([N+](=O)[O-])c2)ccc(Cl)c1	PC-id_19523707	543.323	YKDNADBLCBESNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157057
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)N1CCOCC1)CC(CNC2=O)(C)C	PC-id_69077972,SCHEMBL4522814	543.393	LMHOPXAVOKIRDG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157058
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2C[C@@H](O)CC2)cc1	PC-id_69067866,SCHEMBL4499028	543.393	RJWJBLGZAWUFJO-LBPRGKRZSA-N	00000010100000110100000000000010000000000000000000000000	31-01-157059
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CC(O)CC2)cc1	PC-id_69067868,SCHEMBL4499030	543.393	RJWJBLGZAWUFJO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-157060
CC1(Cc2c(C(=NC1)N)sc(c2C(=O)NCC(C)(C)N)Nc1c(cc(cc1)I)F)C	PC-id_91225483	543.44	RZFJBVNVIHLCBT-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-157061
O=C(NC(C(NC(C(=O)NC1Cc2ocnc2CCNC(=O)C1=O)C(C)C)O)C(C)C)OCc1ccccc1	SCHEMBL21109217,PC-id_138730066	543.612	SSTZUPMQRMKJEH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157062
O=C(NC(C(NC(C(=O)NC1Cc2oncc2CCNC(=O)C1=O)C(C)C)O)C(C)C)OCc1ccccc1	SCHEMBL21110173,PC-id_138731015	543.612	WCWHAFARZYSTSW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157063
O=C(NC(C(NC(C(=O)NC1CCc2ncoc2CNC(=O)C1=O)C(C)C)O)C(C)C)OCc1ccccc1	PC-id_138731468,SCHEMBL21110660	543.612	AQQNCPWLFCQOTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157064
CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCn2cc(C[C@@H](C(=O)N1)NC(=O)OCc1ccccc1)nn2)CO	PC-id_137348374	543.615	SZXOIWBJCNDQNX-BVSLBCMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157065
CN1CCCn2c(C1)cc(n2)Nc1cc(n[nH]c1=O)c1ccc(c(c1C)NC(=O)c1cc2c(s1)cccc2)F	SCHEMBL2496119,PC-id_58540281	543.615	MKNULJGMYRYINJ-UHFFFAOYSA-N	00000000100000110101100001000010000000000000000000000000	31-01-157066
O=C(NC(C(NC(C(=O)NC1Cc2ncnn2CCNC(=O)C1=O)C(C)C)O)C(C)C)OCc1ccccc1	PC-id_138730321,SCHEMBL21109475	543.615	AXXPGMHURCBPQP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157067
C1[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Nc2nc(cs2)CS1)CCCN=C(N)N)CC(=O)O)C(=O)N	PC-id_136169067	543.62	VWECELIDVDWJSZ-SRVKXCTJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157068
O=C(NC(C(=O)NC(C(=O)NC1Cc2cnc(s2)CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	PC-id_138730112,SCHEMBL21109263	543.635	FHAJZVDHLGNEOU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157069
O=C(NC(C(=O)NC(C(=O)NC1Cc2ncc(s2)CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21109259,PC-id_138730108	543.635	DURJHULBZZUOMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157070
S(=O)(=O)(Nc1onc(c1C)C)c1c(c2c(cc(Cn3c4c(nc3C)CCCCC4=O)cc2)C[N+]#[C-])cccc1	PC-id_20747609	543.637	YAINQGFJWKJJHZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157071
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC=C)C#N	PC-id_19635662	543.652	WWLQGPNONHJEQQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157072
OCCN1CCCn2c(C1)cc(n2)Nc1ncnc(c1)c1ccc(c(c1)C)CNC(=O)c1cnn(c1)C(C)(C)C	PC-id_118139578,SCHEMBL16794233	543.663	MZQYEKXDTGYMMS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157073
O=C(Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)NCc1c2CCN(Cc2sc1C(F)(F)F)C	SCHEMBL18501958	543.665	CPKHZXONKSVYJI-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-157074
Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OC4CC(F)(F)C4)sc3CC2)CC1	SCHEMBL21041605,BindingDB-id_989454	543.672	XOUPKGAJLSOMOY-WGSAOQKQSA-N	00001000100010100101000001000010000000000000000000000000	31-01-157075
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC1CC(C1)(F)F	PC-id_138671230	543.672	XOUPKGAJLSOMOY-UHFFFAOYSA-N	00001000100010100101000001000010000000000000000000000000	31-01-157076
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC1CC1(F)F	PC-id_138671192	543.672	FJGKAJJYKJYGEP-UHFFFAOYSA-N	00100000100010100101000001000010000000000000000000000000	31-01-157077
Cn1nc2c(c1)c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC1CC1(F)F	SCHEMBL21041564	543.672	FJGKAJJYKJYGEP-UQTQIZBZSA-N	00100000100010100101000001000010000000000000000000000000	31-01-157078
O=C(Nc1ccc(C(=O)N2CCCN(Cc3ccccc3)c3sccc23)cc1)c1ccccc1c1ccccc1	CHEMBL366790,BindingDB_PC-id_10626339,PC-id_10626339	543.678	GBSJGFNEBBZCKT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157079
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1)C(=O)OC	PC-id_20181151	543.678	APMFNPRUHFKSFJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157080
CC1CCC(=Nc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C)N=C(c2c1[nH]cc2)Nc1cccc(c1)CC#N	PC-id_136504313	543.683	GERRGPSOBWXSEJ-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-157081
s1c2CCCCCCc2c(c1NC(=O)c1ccc(nc1)C(=O)Nc1sc2CCCCCCc2c1C#N)C#N	PC-id_3494906	543.703	VVUNEDMBPPUIQE-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-157082
s1c2CCCCCCc2c(c1NC(=O)c1nc(C(=O)Nc2sc3CCCCCCc3c2C#N)ccc1)C#N	PC-id_4167241	543.703	ZADRGTWKYXUNTK-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-157083
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc(c2)C)C(=O)OC	PC-id_3429169	543.721	YZJILJVTPVCNBB-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157084
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)cccc2)C(=O)OCC	PC-id_4624603	543.721	NUCMMMKKDRGVMW-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157085
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(NS(=O)(=O)c2ccc(cc2)C)cc1)C(=O)OCC	PC-id_20181239	543.721	CBHFUKSSZRSFKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157086
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(cccc2)C)cc1)C(=O)OCC	PC-id_19678798	543.721	WCJRVDLNCAMHKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157087
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(NS(=O)(=O)c2ccc(cc2)C)cc1)C(=O)OC	PC-id_20181232	543.721	NCNXNEGDCBKJDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157088
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(cccc2)C)cc1)C(=O)OC	PC-id_19678792	543.721	HCWFPKUNQUYWFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157089
c1(NC(=O)c2csc3CC(C(C)(C)C)CCc23)sc2c(CCCCCCCCCCC2)c1C(=O)OCC	TIMTEC159205,MCULE-9839380335,PC-id_4067851,EMOLS-id_4189488	543.824	FXGCXOOOSMPQBC-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-157090
CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@H](C(C)(C)C)C3)sc2c1CCCCCCCCCCC2	CoCoCo_6794151,ZINC22_20168444,PC-id_28698297	543.824	FXGCXOOOSMPQBC-NRFANRHFSA-N	00000000100010000100000000010010000000000000000000000000	31-01-157091
CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@@H](C(C)(C)C)C3)sc2c1CCCCCCCCCCC2	PC-id_28698298,ZINC22_20168445,CoCoCo_6794150	543.824	FXGCXOOOSMPQBC-OAQYLSRUSA-N	00000000100010000100000000010010000000000000000000000000	31-01-157092
Ic1ccc(c(c1)Cl)Nc1sc2c(c1C(=O)N1CCCC1)CC(CNC2=O)(C)C	PC-id_69071900,SCHEMBL4507647	543.849	VQRIMAFEZCAETR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-157093
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nn(Cc2cc(Cl)c(Cl)cc2)c1	PC-id_20173381	543.917	XBILKJBIVZACHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157094
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nn(Cc2c(Cl)cc(Cl)cc2)c1	PC-id_20174087	543.917	LRDRZLFRRCRXTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157095
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCN(C(C2)C(=O)O)C)cc(c1)C(F)(F)F	PC-id_140700377	543.923	RVULPRSKEFGQIT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157096
CN1CCN(C(C1)C(=O)O)C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700474	543.923	QPRQMASODPYOBA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157097
CCC(c1cc(c(cc1)C(=O)O)N)NC(=O)N1Cc2noc(=O)n2CC(C1=O)Cc1c(ccc(c1)Cl)OC	PC-id_88994708,SCHEMBL13194916	543.956	OHYORAPEQQOVJX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157098
CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N1Cc2noc(=O)n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC	SCHEMBL12980654	543.956	OHYORAPEQQOVJX-HNAYVOBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157099
Clc1c(cc(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc1C)C	PC-id_19641527	544.132	OGPCQQHUILHIIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157100
Clc1cc(c(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc1)C	PC-id_17302512	544.132	YXYRDCXQCWHQGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157101
Clc1c(cc(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc1)C	PC-id_19641158	544.132	VRWQNLCCWXPWGH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157102
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC)cc1C)C	PC-id_17305602	544.132	QXLNJPQSUWUFLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157103
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)C)cc1C)C	PC-id_19641398	544.132	HUVJMSZEFBJJAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157104
Clc1cc(c(OCCCc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc1)C	PC-id_20123344	544.132	LCFNGDWNLPPAJP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157105
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc1)C	PC-id_20123230	544.132	JBXSJNNOIKCOIX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157106
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc(cc1)C	PC-id_19635218	544.132	YWPWQVOXKVYSHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157107
CC1=NC=C(C=N1)OCC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F	PC-id_148177203	544.213	KDRSJBVISFTPQD-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-157108
CN1C(=O)C=CC=C1C(=O)NC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCCC(F)(F)F)F	PC-id_147232577	544.213	CJEXMSYACHFNMR-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-157109
Brc1ccc2-c(ccc2C(=C2C=CC(=[N+](C)C)C=C2)c2c3-c(cc2)ccc(Br)cc3)cc1	PC-id_11802752	544.3	JFYUUCZZHUYXFW-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-157110
CN1C(=O)C(CCc2c(C1=O)n(cn2)CC(=O)Nc1ccc(cc1)Oc1ccccc1)I	SCHEMBL20161776,PC-id_134517924	544.342	PEDDEKPCJLXEDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157111
CC(C(=O)N)NC(=O)c1c(sc2c1CC(CNC2=O)(C)C)Nc1c(cc(cc1)I)F	PC-id_91138705	544.382	YOXDILHSUFCPEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157112
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCCCN)Nc1c(cc(cc1)I)F)C	PC-id_91604334	544.425	CENQCUHJZWKAQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157113
CN(CCNC(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I)C	SCHEMBL4511661,PC-id_69073648	544.425	DFEBRTGRFBZKKV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157114
CNCCN(C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I)C	SCHEMBL4513544,PC-id_69074425	544.425	FDVSBVCBMQCCAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157115
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NCC(N)(C)C)cc1	PC-id_56835172	544.425	INBLNUOYZJIQBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157116
N#CC1CNCCN1C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700483	544.45	UEKHZNGHWSMTRH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157117
N#CC1NCCN(C1)C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700416	544.45	SYBHJQVBVAOPNK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157118
Cc1ccc(nc1)Cn1c(Oc2cccc(c2)OC(F)(F)F)nc2c1C(=O)CC(C(=O)N2C)CCC1(O)CC1	SCHEMBL20432047,PC-id_135268890	544.522	BRRKIFPIJPGQPZ-UHFFFAOYSA-N	00100000100000111101000000000010000000000000000000000000	31-01-157119
s1c2c(CCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)c(F)c(F)c(F)c2F)cc1)C(=O)OCC	PC-id_20171308	544.56	DFNNSGCCHOUQMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157120
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)c(F)c(F)c(F)c2F)cc1)C(=O)OC	PC-id_20171301	544.56	OTDTVCRVWDCWAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157121
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)CNc1ccc(cc1)OC(F)(F)F)CCN1CCOCC1	PC-id_134808657	544.569	MFHVXPKIOOIYDV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157122
C1CCN=Cc2c([nH]c(n2)NCCCC(C(=O)NC(C1)C(=O)O)NC(=O)OCc1ccccc1)CC(CO)O	PC-id_136859430	544.6	REPUCFCEXOBLJB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-157123
CCn1c(=O)cccc1C(=O)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671567	544.605	IQNCGUKPEJHBKP-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-157124
CCn1c(=O)cccc1C(=O)N[C@@H]1CC[C@@](CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041954	544.605	IQNCGUKPEJHBKP-SMQSCJQKSA-N	00000000100010101101000000000010000000000000000000000000	31-01-157125
O=C(NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1ccc(nc1)C	PC-id_138671955	544.605	LEKKUTIVPWAAHS-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-157126
O=C(N[C@@H]1CC[C@@](CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1ccc(nc1)C	SCHEMBL21042382	544.605	LEKKUTIVPWAAHS-OWWJJEGGSA-N	00000000100010101101000000000010000000000000000000000000	31-01-157127
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(c1cnc(cc1)N(C)Cc1c(cc(cc1)OC)OC)C(F)F	PC-id_90868828	544.613	CVEKRHUELAALOC-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157128
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ccc(nc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	SCHEMBL12649472,PC-id_88942088	544.62	YTIPDUKBPUTEIK-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-157129
O=C=C1C=C(C=NC1N(C(=O)OC(C)(C)C)OC(C)(C)C)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)C	PC-id_140597537	544.62	WHDVAMQHAJFGNR-UHFFFAOYSA-N	00000000100011000101000000000010000000000000000000000000	31-01-157130
O=C(NC(C(=O)NC(C(=O)NC1Cc2nnc(s2)CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	PC-id_138730989,SCHEMBL21110147	544.623	OCVKCUACDMXDQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157131
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)Nc1ccnc(N2CCOCC2)c1	CHEBI:96450,CHEMBL1865147,PC-id_44485754	544.646	PUSZFNDBKFADMS-VIZSFHNOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157132
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)Nc1ccnc(N2CCOCC2)c1	PC-id_44505419,CHEBI:112620,CHEMBL1865287	544.646	RIHXBZGHHXCGPP-SXWKCWPCSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157133
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	PC-id_75036337	544.646	RIHXBZGHHXCGPP-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157134
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	CHEBI:113268,PC-id_44485066	544.646	PUSZFNDBKFADMS-ZRCGQRJVSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157135
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	CHEBI:113472,PC-id_44488696	544.646	PUSZFNDBKFADMS-MZKRTTBSSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157136
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	PC-id_44484524,CHEBI:112534	544.646	PUSZFNDBKFADMS-MIZPHKNDSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157137
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	PC-id_44485067,CHEBI:112616	544.646	PUSZFNDBKFADMS-SXWKCWPCSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157138
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	PC-id_44486359,CHEBI:113351	544.646	PUSZFNDBKFADMS-TXTKFYIRSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157139
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	PC-id_44486965,CHEBI:112525	544.646	PUSZFNDBKFADMS-QTEQDKRBSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157140
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	PC-id_44487417,CHEBI:131268	544.646	PUSZFNDBKFADMS-JTAQYXEDSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157141
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	CHEBI:112510,PC-id_44505427	544.646	RIHXBZGHHXCGPP-JTAQYXEDSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157142
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	CHEBI:95639,PC-id_44505424	544.646	RIHXBZGHHXCGPP-TXTKFYIRSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157143
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	CHEBI:96168,PC-id_44505415	544.646	RIHXBZGHHXCGPP-MZKRTTBSSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157144
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	PC-id_44497715,CHEBI:112570	544.646	RIHXBZGHHXCGPP-ZRCGQRJVSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157145
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	PC-id_44505429,CHEBI:112578	544.646	RIHXBZGHHXCGPP-VIZSFHNOSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157146
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	PC-id_44505790,CHEBI:95851	544.646	RIHXBZGHHXCGPP-QTEQDKRBSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157147
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(N2CCOCC2)ncc1	PC-id_44505797,CHEBI:112486	544.646	RIHXBZGHHXCGPP-MIZPHKNDSA-N	00000000100010101101100000000010000000000000000000000000	31-01-157148
O=C1Cc2c(N1)c(ccc2)C(=O)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)C	PC-id_145452182	544.656	ZLFGBLDNLLKEFF-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-157149
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCn1ccc2c1C(=O)N(C)CC/C/2=N/OCc1ccccc1	PC-id_100955392	544.66	LONQAGNNFLBTEA-BNIPGBBVSA-N	00000000100010110100000000000010000000000000000000000000	31-01-157150
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCCCn1ccc2c1C(=O)N(C)CCC2=NOCc1ccccc1	PC-id_85173950,SCHEMBL9037912	544.66	LONQAGNNFLBTEA-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-157151
Fc1ccc(C(=O)C2CCN(CC2)CCCCn2c3c(cc2)/C(=N/OCc2ccccc2)/CCN(C3=O)C)cc1	PC-id_10530588	544.66	LONQAGNNFLBTEA-RIHQVDFKSA-N	00000000100010110100000000000010000000000000000000000000	31-01-157152
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC=C)C(=O)OC	PC-id_17265609	544.661	CDINEHRGJBWQNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157153
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)CC=C)C(=O)OCC	PC-id_19633802	544.661	DTKFFGFJHVIDBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157154
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(F)cc1)CC=C)C(=O)OC	PC-id_19633737	544.661	CCDIDMRXKNJTJH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157155
c12c(N(C(=O)c3ccc(NC(=O)c4c(c5ccccc5)cccc4)cc3)CCCN1Cc1cnccc1)ccs2	GD-id_ZINC28094833,BindingDB_PC-id_10578460,CHEMBL175182,PC-id_10578460	544.666	ZEHNRQNEVWJTIS-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-157156
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/C(=O)O)ccc1)CC)C(=O)OCC	PC-id_18898160	544.683	LTKQBWZEEYZDEG-CCEZHUSRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157157
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=CC(=O)O)ccc1)CC)C(=O)OCC	PC-id_73470131	544.683	LTKQBWZEEYZDEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157158
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1c(occ1)C)C(=O)OCC	PC-id_19726039	544.686	XERBHHBFVMYCDM-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-157159
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(OC)cc1)C(=O)OCC	PC-id_19633391	544.686	CODWEHPSFCQQNT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157160
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC)C(=O)OCC	PC-id_19731058	544.686	QKMUXOGNAPWSND-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157161
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC)C(=O)OC	PC-id_19640209	544.686	GVYPUKBXKBMLKT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157162
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)C)C(=O)OCC	PC-id_17267095	544.686	AFRMNXPXTPAXFM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157163
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1c(occ1)C)C(=O)OC	PC-id_19725966	544.686	NGMSPOWLJDGIIL-UHFFFAOYSA-N	00000010101000000101100000000010000000000000000000000000	31-01-157164
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1ccc(OC)cc1)C(=O)OC	PC-id_19633351	544.686	MYIZPWJDWHOJAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157165
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC)C(=O)OC	PC-id_19730986	544.686	YNDPNQQJNDLEFZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157166
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)C)C(=O)OC	PC-id_19640100	544.686	OKGFXWYDTDSLOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157167
O=C(Cc1cnc(s1)C)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCCCC(F)(F)F	PC-id_138671885	544.696	PGEWNICGTHDRNS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-157168
O=C(Cc1cnc(s1)C)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCCCC(F)(F)F	SCHEMBL21042309	544.696	PGEWNICGTHDRNS-WGSAOQKQSA-N	00000000100010000101000000000010000000000000000000000000	31-01-157169
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc(c(cc2)C)C)nn1)C(=O)OCC	PC-id_23968768	544.709	WETVYMAABFJISS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157170
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2ccc(cc2)C)nn1)C)C(=O)OCC	PC-id_23766673	544.709	JAIAXNUGDVWFNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157171
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2c(cccc2)C)nn1)C)C(=O)OCC	PC-id_23768864	544.709	RTDZAQAJSSXGKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157172
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc(ccc2)C)nn1)C)C(=O)OCC	PC-id_24044781	544.709	HASZVMYGKDKLGC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157173
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)Cc2ccccc2)nn1)C)C(=O)OCC	PC-id_23934717	544.709	SDHGXPDIEXDETC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157174
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)CCc2ccccc2)nn1)C(=O)OCC	PC-id_24073904	544.709	JYCIEFMTONLEHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157175
c1(NC(=S)NC(=O)C=Cc2ccc(c(OC)c2)OC)sc2c(CCCCCCCCCC2)c1C(=O)OC	PC-id_4342886,MCULE-6020095496	544.726	WXPBKVUZEDVZLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157176
COC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c(c2)OC)OC)sc2c1CCCCCCCCCC2	STOCK2S-75622,EMOLS-id_26282471,ZINC22_100818478,PC-id_6074678	544.726	WXPBKVUZEDVZLQ-BMRADRMJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157177
S(=O)(=O)(N1C2CC(CC(C2)(C)C)(C1)C)c1ccc(cc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_23882724	544.726	CREKGEADJOYFRA-UHFFFAOYSA-N	00000010100010110100000000000110000000000000000000000000	31-01-157178
s1c2c(CCCCCC2)c(c1NC(=O)CCCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)N)C(=O)N	PC-id_4104858	544.729	LTJBOIPKILAUNU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-157179
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC=C)C(=O)OCC	PC-id_19721791	544.752	QVNPFHYILDTIPS-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157180
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC=C)C(=O)OCC	PC-id_19719603	544.752	HVPOLNQZKHYJGJ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157181
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC=C)C(=O)OCC	PC-id_19720377	544.752	OTKJGUADMORTSH-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157182
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CC=C)C(=O)OC	PC-id_19721723	544.752	LZHCJXJNEJLGBG-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157183
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)CCC)CC=C)C(=O)OC	PC-id_19719501	544.752	CBIJUPBKCVUKQQ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157184
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(sc1)C(C)C)CC=C)C(=O)OC	PC-id_19720273	544.752	LMJVZSJLCUKSEZ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157185
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CC(C)(C)C)ccc1)CC)C(=O)OCC	PC-id_18911684	544.769	IQHKPJKXTYJENM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157186
ClCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750467	545.092	JXUIMPXDVRZTOK-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-157187
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_20124340	545.116	FICJXSLLRBOLGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157188
Clc1ccc(Cc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_20124262	545.116	JXPWWFBWULVODJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157189
CN1C2=C(C=N1)NC(=O)[C@H](N(C2=O)CC3=CC(=C(C=C3)C(=O)NC4=NC=CC(=C4)OC)Cl)CC5=CC=CC=N5	PC-id_164916603	545.158	ICOAASVUOAVNSD-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157190
NC1CCC(CC1)[C@@H](C(CC1=C(C)CCc2n(C(=C1)Nc1ccc(cc1)Oc1ccccc1)ncc2Cl)C)C	PC-id_142946939	545.158	VVPUGJTUBCKQMG-QMNFSNJMSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157191
CC1=CN=C(C=N1)OCC(=O)NC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(F)(F)F)F	PC-id_147904914	545.208	IEZLUUHSTFBOBK-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-157192
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C4CCCC4	PC-id_155171348	545.256	PIVBAVWRXJPNMC-HXUWFJFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-157193
Brc1ccc2-c(ccc2C(c2c3-c(cc2)ccc(Br)cc3)c2ccc(N(C)C)cc2)cc1	PC-id_10792647	545.308	XQRNFCGVXWEXHA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157194
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NCCC(=O)O)cc1	SCHEMBL4516941,PC-id_69075769	545.366	MYCQGQJZXIASDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157195
NCC(NC(=N)/C(=C/C1=C(S)OCCn2c1c(C)cn2)/I)Cc1cc(F)cc(c1)F	SCHEMBL19737181	545.388	IOWJFCJHLZEYKY-IUXPMGMMSA-N	00000000100000110111000000000010000000000000000000000000	31-01-157196
O=C1On2nnnc2C(OC1=O)N([C@H](c1ccccc1OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C	PC-id_145824350	545.391	MNNZJZXOTOHWGU-FAQQKDIKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157197
Brc1cc2-c(c(c(O)c2C(=O)OCC)C(=O)OCC)ccc1NC(=S)NC(=O)c1ccccc1	PC-id_10940554	545.402	FVEGZFMXWMEEHQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157198
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC(C)(C)O)Nc1c(cc(cc1)I)F)C	PC-id_91163389	545.409	JZECKAMTMLKDCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157199
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NC(C)(C)CO)Nc1c(cc(cc1)I)F)C	PC-id_91309407	545.409	NINBVVNCSKZHSR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157200
CC(COC)NC(=O)c1c(sc2c1CC(CNC2=O)(C)C)Nc1c(cc(cc1)I)F	PC-id_91496462	545.409	XIPYRAXJIATJIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157201
Brc1c2NC(=O)C(=Cc3[nH]c4CCCN(C[C@@H](O)CN5CCCCC5)C(=O)c4c3C)c2cc(F)c1	PC-id_71099987	545.444	YOFUJQUKQUTNCI-KRWDZBQOSA-N	00000010100010100100000000001010000000000000000000000000	31-01-157202
Brc1c2NC(=O)C(=Cc3[nH]c4CCCN(CC(O)CN5CCCCC5)C(=O)c4c3C)c2cc(F)c1	PC-id_78008512	545.444	YOFUJQUKQUTNCI-UHFFFAOYSA-N	00000010100010100100000000001010000000000000000000000000	31-01-157203
O[C@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)cc2Br)CN1CCCCC1	SCHEMBL14212205	545.444	YOFUJQUKQUTNCI-LSPINASFSA-N	00000010100010100100000000001010000000000000000000000000	31-01-157204
Brc1c2/C(=C/c3[nH]c4CCCN(C[C@@H](O)CN(CCOC)CC)C(=O)c4c3C)/C(=O)Nc2ccc1	SCHEMBL13449532,PC-id_70905860	545.469	QWZVCFFQSNFQFH-XIDKLXSXSA-N	00000010100000100100000000001010000000000000000000000000	31-01-157205
Brc1c2C(=Cc3[nH]c4CCCN(CC(O)CN(CCOC)CC)C(=O)c4c3C)C(=O)Nc2ccc1	PC-id_77950547	545.469	QWZVCFFQSNFQFH-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-157206
Brc1cc2/C(=C/c3[nH]c4CCCN(C[C@H](O)CN(CCOC)CC)C(=O)c4c3C)/C(=O)Nc2cc1	PC-id_70905785,SCHEMBL13449386	545.469	XTYYEPDVSBNYJO-RXWSAZGZSA-N	00000010100000100100000000001010000000000000000000000000	31-01-157207
Brc1cc2C(=Cc3[nH]c4CCCN(CC(O)CN(CCOC)CC)C(=O)c4c3C)C(=O)Nc2cc1	PC-id_77950526	545.469	XTYYEPDVSBNYJO-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-157208
O=C(N1CCCn2c(C1)cc(n2)C(=O)N1CC2CCC(C1)N2)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700467	545.477	KEFOTHBAGQQWPS-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-157209
CCN(C(=O)Cc1ccc2-c(c(c(c2OC(=O)OCC)N)OC(=O)OCC)cc1)OCC(=O)NC1=NCCN1	PC-id_88125342,SCHEMBL7303843	545.542	QGKZPIAXSCGGMN-UHFFFAOYSA-N	00000011100000000111000000000010000000000000000000000000	31-01-157210
CCOC(=O)c1c(NC(c2ccc(cc2)C#N)Nc2nc3-c(c2C(=O)OCC)ccccc3)nc2-c1ccccc2	PC-id_102048944	545.588	MTMVOZZWUHTLDI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157211
FC(c1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(O)(C)C)S(=O)(=O)O)(F)F	PC-id_139605590	545.592	DFUGWGBTSPQACS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157212
S(=O)(=O)(NCCCCc1c2-c(c(OS(=O)(=O)O)c1)ccc(C(C)C)cc2)c1ccc(cc1)C(F)(F)F	PC-id_19914782	545.592	ZUHZSFVSHLITOH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157213
Cc1ncc(OCC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1	BindingDB-id_989458,SCHEMBL21041166	545.593	AXXFMVNEFOELFG-LBEPJEHYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-157214
CC(C)(C)C(=O)Nc1cc(ccc1COC(=O)N1CCc2cc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1)C#N	SCHEMBL17125327,BindingDB-id_913859,PC-id_118404757	545.593	BURLAFXWCRRLHP-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-157215
O=C(NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F)COc1cnc(nc1)C	PC-id_138670813	545.593	AXXFMVNEFOELFG-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-157216
COC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)F)sc2c1CCCCC2	PC-id_121040983	545.603	HSVMGFPAJKALIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157217
COC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)F)sc2c1CCCCC2	PC-id_121042232	545.603	SFOISEQLGLPUFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157218
COC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)F)sc2c1CCCCC2	PC-id_121044655	545.603	QNQWCRZTIIFGOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157219
CCOC(c1cccc(c1[Se][C@H]([C@H](c1ccc2-c1ccccc2)c1ccccc1)C)C(OCC)C)C	PC-id_102213042	545.614	WIOJZPLHHOXONU-RIPMDZLDSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157220
O=C1N(CCCn2nc(cc12)C(=O)N(CC(C)C)CCC(=O)NCc1cc2OCOc2cc1)Cc1ccccc1	PC-id_46049919	545.629	SOLBCTSNRAGQHG-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-157221
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-3085213329,PC-id_3495244,EMOLS-id_16381951,CoCoCo_2661681	545.649	PQARHTWVXAAWTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157222
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2C)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661542,EMOLS-id_16381937,PC-id_5064297,MCULE-4584512514	545.649	XFICGKWOZQLJEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157223
C#CCOc1c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc([N+](=O)[O-])cc1OC	ZINC22_408964758	545.649	ZTQDGACDLLXABU-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157224
S(=O)(=O)(CC(CNC(=O)c1nn2CCCN(CCC3CCNCC3)C(=O)c2c1)C(=O)O)c1ccc(cc1)C	PC-id_85042164	545.651	AWXLYWFTNZATAJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157225
S(=O)(=O)(C[C@@H](CNC(=O)c1nn2CCCN(CCC3CCNCC3)C(=O)c2c1)C(=O)O)c1ccc(cc1)C	PC-id_9807461	545.651	AWXLYWFTNZATAJ-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157226
S(=O)(=O)(NC(CNC(=O)c1cn2CCCN(CCC3CCNCC3)C(=O)c2c1)C(=O)O)c1ccc(cc1)C	PC-id_20616347	545.651	HPHZJSCGANOKIM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157227
S(=O)(=O)(N[C@H](CNC(=O)c1cn2CCCN(CCC3CCNCC3)C(=O)c2c1)C(=O)O)c1ccc(cc1)C	PC-id_60067659	545.651	HPHZJSCGANOKIM-JOCHJYFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157228
C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)S(=O)(=O)c1ccc(n2cccn2)cc1	PC-id_44504983,CHEMBL1868111	545.654	OBPNUFMWANEKLD-SKPFHBQLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157229
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)S(=O)(=O)c1ccc(cc1)n1cccn1)nn2)C	PC-id_134828970	545.654	QGLCBWHTEBSHSF-YOSAUDMPSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157230
C[C@H]1CN[C@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)S(=O)(=O)c1ccc(cc1)n1cccn1)nn2)C	PC-id_134829003	545.654	QGLCBWHTEBSHSF-SKPFHBQLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157231
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)c1ccc(n2nccc2)cc1	PC-id_75036154	545.654	OBPNUFMWANEKLD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157232
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1ccc(n2nccc2)cc1	PC-id_44497249	545.654	OBPNUFMWANEKLD-MZLICYQSSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157233
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1ccc(n2nccc2)cc1	PC-id_44497711	545.654	OBPNUFMWANEKLD-YOSAUDMPSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157234
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1ccc(n2nccc2)cc1	PC-id_44505178	545.654	OBPNUFMWANEKLD-ROKPMTFOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157235
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1ccc(n2nccc2)cc1	PC-id_44505385	545.654	OBPNUFMWANEKLD-REHUZNOOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157236
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1ccc(n2nccc2)cc1	PC-id_44505393	545.654	OBPNUFMWANEKLD-NMMYMHLASA-N	00000000100000110101100000000010000000000000000000000000	31-01-157237
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1ccc(n2nccc2)cc1	PC-id_44505549	545.654	OBPNUFMWANEKLD-JXALWOEJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157238
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1ccc(n2nccc2)cc1	PC-id_44505977	545.654	OBPNUFMWANEKLD-DCLXLUIPSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157239
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1ccc(n2nccc2)cc1	PC-id_44485053	545.654	YWNWDKHJMGALNS-REHUZNOOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157240
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@H](CO)C)c2)C)c1ccc(n2nccc2)cc1	PC-id_44485054	545.654	YWNWDKHJMGALNS-JXALWOEJSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157241
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C)c1ccc(n2nccc2)cc1	PC-id_44485742	545.654	YWNWDKHJMGALNS-MZLICYQSSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157242
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C)c1ccc(n2nccc2)cc1	PC-id_44486347	545.654	YWNWDKHJMGALNS-SKPFHBQLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157243
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@H](CO)C)c2)C)c1ccc(n2nccc2)cc1	PC-id_44486953	545.654	YWNWDKHJMGALNS-NMMYMHLASA-N	00000000100000110101100000000010000000000000000000000000	31-01-157244
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C)c1ccc(n2nccc2)cc1	PC-id_44487408	545.654	YWNWDKHJMGALNS-ROKPMTFOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157245
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C)c1ccc(n2nccc2)cc1	PC-id_44488688	545.654	YWNWDKHJMGALNS-DCLXLUIPSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157246
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1ccc(n2nccc2)cc1	PC-id_44488689	545.654	YWNWDKHJMGALNS-YOSAUDMPSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157247
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc(F)c2)C(=O)OC	PC-id_4111508	545.669	PIVDMSFLJYLRGR-FVDSYPCUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157248
COc1ccc(cc1)COCCN1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(C(=O)OC(C)(C)C)C	PC-id_70834135,SCHEMBL13077446	545.671	ZEUXCIJAVQYLMJ-OFVILXPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157249
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2	MCULE-8249356456,PC-id_2517039,ZINC22_3398564,EMOLS-id_43751773,CoCoCo_3001125	545.671	WCZJQJFOAVUDEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157250
O1C(C(CN(CCOCc2ccc(OC)cc2)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)OC(C)(C)C	PC-id_77938860	545.671	ZEUXCIJAVQYLMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157251
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1ccc(C(C)(C)C)cc1)C(=O)OCC	PC-id_4250926	545.671	GXSWZJGFBJVAJA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157252
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+](noc1[O-])c1ccc(OC)cc1)CC)C(=O)OCC	PC-id_53293861	545.671	GMTVVEDJWCTBGW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157253
S(=O)(=O)(N1CCCCCC1)c1c(OC)ccc(c1)C(=O)OCC(=O)Nc1sc2CCCCCc2c1C#N	PC-id_16509178	545.671	GVSHDZUOLVQLPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157254
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(Cc1ccccc1)CC(=O)N[C@H]2Cc1ccccc1	MCULE-6281995567,PC-id_135099189,EMOLS-id_317362668,ZINC22_1704352036	545.676	WDNBWWKKBZRCRD-QGUKFAFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157255
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1ccccc1)C#N)C(=O)OCC	PC-id_24001238	545.676	RFSPEQZRFHHFEZ-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-157256
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c2ccc(cc2)C)c1C#N)C#N)C(=O)OC	PC-id_24056610	545.676	BQSSKZHBYXTGSR-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-157257
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1ccccc1)C#N)C(=O)OC	PC-id_23833228	545.676	KCIKRTOOPUCZPM-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-157258
O=C(Nc1sc2c(c1C(OC(C)(C)C)O)CCCCC2)NCc1c2CCN(Cc2sc1C(F)(F)F)C	PC-id_138564984,SCHEMBL20922569	545.681	BHIDMSIEALOYCL-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-157259
c1(NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)OC	TIMTEC580210,CoCoCo_6825718,PC-id_17378159,MCULE-4817417839,ZINC22_97947912,EMOLS-id_4190030	545.694	YSZBWAHJIMRQOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157260
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(OC)cccc2)cc1)C(=O)OC	PC-id_19679065	545.694	SEJLKDHRNIJIMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157261
Cn1cc2c(c1)c(ccc2)C(=S)NC1CCC(CC1)CCN1CCc2c(CC1)cn(n2)CCCC(F)(F)F	PC-id_145451870	545.706	SYBBWVSYZFCTJR-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157262
Cc1cccc(Cn2c(C)c(/C=N/c3sc4c(c3C(=O)Nc3ccccc3)CCCCCC4)c3ccccc23)c1	ZINC22_409018254	545.737	UCTXIQHKOBPRKP-HPNXWYHWSA-N	00000000100000110100000001100010000000000000000000000000	31-01-157263
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cn(Cc4ccccc4)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409012163	545.737	HVHIBNWDZZYNIZ-QLQYKETESA-N	00000000100000110100000001100010000000000000000000000000	31-01-157264
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3cn(Cc4ccccc4)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409016667	545.737	RDNYLBVUWMAXGE-QLQYKETESA-N	00000000100000110100000001100010000000000000000000000000	31-01-157265
Cc1cccc(NC(=O)c2c(/N=C/c3cn(Cc4ccccc4)c4ccccc34)sc3c2CCCCCC3)c1C	ZINC22_409019674	545.737	WPSHAFGWTZQKMC-QLQYKETESA-N	00000000100000110100000001100010000000000000000000000000	31-01-157266
Cc1ccc(NC(=O)c2c(/N=C/c3cn(Cc4ccccc4)c4ccccc34)sc3c2CCCCCC3)cc1C	ZINC22_409017554	545.737	SFEWOXRXPFQIKN-QLQYKETESA-N	00000000100000110100000001100010000000000000000000000000	31-01-157267
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc(c2)C)C(=O)OCC	PC-id_4296588	545.737	JBLWUUXBFYGIIJ-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157268
CCCC1CC(=CC=C1CC1CCN(CC1)CC)/C=C/C(=O)C1C=CC(=C(C1)C#Cc1cnc2-c1cccnc2)C	PC-id_145605269	545.757	LENKELWUQNFGBI-LFIBNONCSA-N	00000010100011000110000000000010000000000000000000000000	31-01-157269
CN1CCC2=C(CC1)SC(=N2)C(=O)N3C[C@@H]([C@H](C3)OC)NC(=O)C4=CC=C(S4)I	PC-id_164034293	546.026	VKSCQTAQGSFELW-STQMWFEESA-N	00000010100100000101000000000010000000000000000000000000	31-01-157271
Clc1ccc(Oc2cc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc([N+](=O)[O-])c2)cc1	PC-id_20171126	546.058	LZONIEWYZZBFED-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157272
Clc1ccc(Oc2cc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cc([N+](=O)[O-])c2)cc1	PC-id_20171119	546.058	RNPQFRNEXMWBTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157273
CCNC(=O)NCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)Cl)C(=O)O)C	PC-id_139605645	546.078	VSMUOFJUPOSKQP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157274
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)ccc1F	PC-id_21164807	546.08	IODVIMPNEHUNSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157275
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)C)ccc(F)c1	PC-id_19640910	546.08	DKXKUIUQLICAHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157276
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)ccc(F)c1	PC-id_19634055	546.08	ZGSKLHLHBBGLIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157277
Clc1sc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OC)cc1	PC-id_44005383	546.08	GHWXTMZBQAEYBA-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-157278
c1(NC(=O)CSc2nc(c(Cc3ccccc3Cl)c(O)n2)C)sc2c(CCCCCC2)c1C(=O)OC	PC-id_135413866,MCULE-4354345698	546.101	IASLLOHGWCLPIN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157279
CCc1cc(C[C@H](C(=O)C)CC(N2CCC(CC2)CCC2CCc3c(NC2=O)csc3)O)cc(c1N)Cl	PC-id_143122779	546.164	HZHFEJJNDUMTCS-CRIAOJQNSA-N	00000000100010110100000000000010000000000000000000000000	31-01-157280
CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)OC3=C(C=C(C=C3)F)F)NC(=O)C4=C5N(CCCCO5)N=C4	PC-id_153518606,CHEMBL4543560	546.175	HJQTVXUNPFAUIJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-157281
CC(C)(C)OC(=O)N1CCC(C1)COC1CC(C(=C)c2c(C1)cc([nH]2)C(=O)/C(=C/C#N)/N(C)C)Br	PC-id_163921382	546.184	RARXFUMZSPUGTF-HOEBFWFUSA-N	00000010100000000100000000000010000000000000000000000000	31-01-157282
CC(COC1=NC2=C(S1)CCN(CC2O)CCC3CCC(CC3)CC(=O)C4=CC=CC5=NN(C=C54)C)(F)F	PC-id_149275500	546.248	XRXMLDGICUQQKA-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157283
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4	PC-id_155171429	546.251	LTBKRVFCWUPWID-HXUWFJFHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-157284
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc(Br)c1	PC-id_20409958	546.339	NKKQAKZOTMAOEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157285
NC[C@@H](NC(=O)/C(=C/C1=C(S)OCCn2c1c(C)cn2)/I)Cc1cc(F)cc(c1)F	SCHEMBL19737291	546.373	CJSFZGLYQRNCKN-QTISIFFUSA-N	00000000100000110111000000000010000000000000000000000000	31-01-157286
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC(CN)O)Nc1c(cc(cc1)I)F)C	PC-id_91471959	546.397	DYVAVRIKUCRUOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157287
Clc1c(COc2cc(C(=O)N3CCn4c(nnc4CC3)CCN3CCOCC3)cnc2N)c(Cl)ccc1	PC-id_58886134,SCHEMBL10217304	546.449	UQZANBXMEFYSKZ-UHFFFAOYSA-N	00000000100010111101000000000010000000000000000000000000	31-01-157288
Brc1ccc(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)cc1	PC-id_21166671	546.503	ZDXJBSDSHUDHFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157291
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)C)cc1	PC-id_19637848	546.503	IPSAWWPDKBRUPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157292
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc1	PC-id_21166564	546.503	YDKVWHOJDCWHFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157293
CC(C)(C)C(=O)Nc1cc(ccc1COC(=O)N1CCc2nc(nn2CC1)C(=O)N1CCc2[nH]nnc2C1)C#N	SCHEMBL17125329,PC-id_118404759,BindingDB-id_913861	546.581	MUPIWTJJJOTPKC-UHFFFAOYSA-N	00000000100010110101000000010010000000000000000000000000	31-01-157294
Cc1c([nH]c2c1C(=O)N(CCC2)CC(CN1CCOCC1)OS(=O)(=O)C)C=C1c2c(ccc(c2)F)NC1=O	PC-id_89183514	546.611	GKTRSNWEHCRTQK-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-157295
Fc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CC(OS(=O)(=O)C)CN1CCOCC1)/C(=O)N2	SCHEMBL13835193	546.611	GKTRSNWEHCRTQK-MOSHPQCFSA-N	00000010100010100101000000001010000000000000000000000000	31-01-157296
O=C(N1CCc2[nH]nnc2C1)c1cc2CCN(CCn2n1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1	PC-id_118394515,SCHEMBL17112954,BindingDB-id_913873	546.621	GKXBLYTVYQLMIO-UHFFFAOYSA-N	00100000100010101101100000010010000000000000000000000000	31-01-157297
Cc1ccc(cc1)S(=O)(=O)NC(CNC(=O)c1nn2CCCN(C(=O)c2c1)CCC1CCNCC1)C(=O)O	PD068163,HMDB0260138,PC-id_22991813	546.639	YLFFZEQHDMFOEC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157298
Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCCn2n1)C(=O)O	PC-id_153986,PD161235,BindingDB_PC-id_153986,CHEMBL298655,SCHEMBL609722,EMOLS-id_337892475,TT-id_D08LIG	546.639	YLFFZEQHDMFOEC-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157299
O=C(c1cc2n(n1)CCCN(C2=O)CCN1CCCCC1)NC[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C	PC-id_69781910,SCHEMBL6441257	546.639	AHCQNSPPPWYYKA-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157300
S(=O)(Oc1ccc(cc1)C)NC(CNC(=O)c1nn2CCCN(CCC3CCNCC3)C(=O)c2c1)C(=O)O	PC-id_20666012	546.639	YKHCPHRSTNWWOZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157301
S(=O)(=O)(NC(CNC(=O)c1nc2n(C(=O)N(CCC3CCNCC3)CCC2)c1)C(=O)O)c1ccc(cc1)C	PC-id_85071094	546.639	XGJSCKLJLYLJGU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157302
S(=O)(=O)(NC(CNC(=O)c1nn2CCCN(CCC3CCCNC3)C(=O)c2c1)C(=O)O)c1ccc(cc1)C	PC-id_20616346	546.639	FGLHRDJONNDFAU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157303
S(=O)(=O)(NC(CNC(=O)c1nn2CCCN(CCN3CCCCC3)C(=O)c2c1)C(=O)O)c1ccc(cc1)C	PC-id_53642656	546.639	AHCQNSPPPWYYKA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157304
S(=O)(=O)(N[C@@H](CNC(=O)c1nc2n(C(=O)N(CCC3CCNCC3)CCC2)c1)C(=O)O)c1ccc(cc1)C	PC-id_9937321	546.639	XGJSCKLJLYLJGU-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157305
S(=O)(=O)(N[C@H](CNC(=O)c1nn2CCCN(CCC3CCCNC3)C(=O)c2c1)C(=O)O)c1ccc(cc1)C	PC-id_60067600	546.639	FGLHRDJONNDFAU-BDPMCISCSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157306
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)C)C(=O)OC	PC-id_17301865	546.659	OIIZGYRHXFCXLP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157307
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(Cc1ccccn1)CC(=O)N[C@H]2Cc1ccccc1	EMOLS-id_317331883,PC-id_135116896,ZINC22_1704323853,MCULE-7822820074	546.664	HOYZZISGSSHSRL-DCEDVJGZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157310
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC)C(=O)OCC	PC-id_19640554	546.677	GQURFUPLADBJIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157311
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC)C(=O)OC	PC-id_17307055	546.677	BCBYJJYLJSHODG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157312
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1[n+]([nH]oc1=O)c1ccc(OC)cc1)CC)C(=O)OCC	PC-id_53293862	546.679	GMTVVEDJWCTBGW-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-157313
CCCc1nc2c(n1Cc1ccc(c3ccccc3S(=O)(=O)Nc3onc(C)c3C)c(C)c1)C(=O)CCCC2	BindingDB_PC-id_10209324,SCHEMBL4767053,PC-id_10209324,CHEMBL12013	546.68	GUILESAVAVIDIH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157314
CCCc1nc2c(n1Cc1ccc(c(c1)C)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	PC-id_69183426,SCHEMBL4773338	546.68	VOJOBNKPJMEEBD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157315
CCNc1nc2c(s1)C(=O)C(CCC2)C(=O)c1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_91038868	546.682	GOJOJSNSMZTRCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157316
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2ccc(OC)cc2)nn1)C(=O)OCC	PC-id_23931456	546.682	TVADNOUJJIKRQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157317
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc(OC)ccc2)nn1)C(=O)OCC	PC-id_23761524	546.682	OILWPEHFCODCHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157318
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2c(OC)cccc2)nn1)C(=O)OCC	PC-id_24154081	546.682	HFBJRPJTVFDIHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157319
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C(=O)OC	PC-id_4451534	546.699	UCUKWCXXXUUUJZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-157320
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C)C(=O)OCC	PC-id_20181420	546.699	SVCVZTYZANJQBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157321
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC(=O)O)ccc1)CC)C(=O)OCC	PC-id_18898292	546.699	MVXYHAPCUUHCHI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157322
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C)C(=O)OC	PC-id_20181413	546.699	MWSHZVYXQYAYOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157323
s1c2c(CCCCC2)c(c1NC(=O)COCC(=O)Nc1sc2c(CCCCC2)c1C(=O)NC)C(=O)NC	PC-id_43947640	546.702	CYMNQHLFUZGFGD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-157324
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)C)C(=O)OC	PC-id_17299308	546.725	XYHZDAKGIKSNGZ-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-157325
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1sccc1)C(=O)OCC	PC-id_19725391	546.725	PQDSYXXXJKXHML-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-157326
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1sccc1)C(=O)OC	PC-id_19725338	546.725	HWRJIUDXCLLQQA-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-157327
c1(NC(=O)CSc2c3ccccc3n(Cc3cc(C)ccc3C)c2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_97963708,MCULE-9690586078,PC-id_4450758,CoCoCo_4983178,EMOLS-id_5439827	546.743	BVZFCQCSSHUMED-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-157328
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1c2c(n(Cc3ccc(cc3)C)c1)cccc2)C)C(=O)OCC	PC-id_4583157	546.743	WXCJHPQRPRIZKY-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-157329
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1c2c(n(Cc3cc(ccc3)C)c1)cccc2)C)C(=O)OCC	PC-id_5053938	546.743	OMIAETOBGAACIY-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-157330
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(CC)c(sc1)C)C(=O)OCC	PC-id_17300535	546.768	NBGPINVVOAGTEI-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157331
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CCC)C(=O)OCC	PC-id_19719759	546.768	XTUXQOCSSZTFSA-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157332
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CCC)C(=O)OCC	PC-id_19719915	546.768	BDKXFPAYKNXDFQ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157333
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)C(C)C)C(=O)OCC	PC-id_19720533	546.768	WKLZMDUGCJDRQQ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157334
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C(C)C)C(=O)OCC	PC-id_19720689	546.768	QUIJTNPFUNKTSY-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157335
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CCC)C(=O)OCC	PC-id_17263531	546.768	PNDITWNNXZONGN-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157336
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1c(CC)c(sc1)C)C(=O)OC	PC-id_19721939	546.768	GSVSJIHZCNFMBA-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157337
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)CCC)C(=O)OC	PC-id_19719655	546.768	SICHTSNKEJWSLC-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157338
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)CCC)C(=O)OC	PC-id_19719811	546.768	CUFFGYCSVKLDHQ-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157339
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CCC)c(nn1)c1cc(sc1)C(C)C)C(=O)OC	PC-id_19720429	546.768	GHDQPOKUDJXRMK-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157340
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(C(C)C)c(nn1)c1cc(sc1)C(C)C)C(=O)OC	PC-id_19720585	546.768	IVIVKWFFXFRRLX-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157341
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1c(CC)c(sc1)C)CCC)C(=O)OC	PC-id_19721828	546.768	BKKGYIVSVUFJGT-UHFFFAOYSA-N	00000000100100000101100000000010000000000000000000000000	31-01-157342
Clc1cc2c(s1)CCCN(C2)C(=O)c1[nH]c(c(c1C)S(=O)(=O)c1cc(Cl)cc(c1)Cl)C(=O)N	PC-id_25187242,SCHEMBL3588205	546.874	MRWBKSQWHWTYQI-UHFFFAOYSA-N	00000000110000110100000000000010000000000000000000000000	31-01-157343
c1(NC(=O)COc2c(Cl)cc(cc2Cl)Cl)sc2c(CCCCCCCCCC2)c1C(=O)OCC	PC-id_5055676,ZINC22_2763802,TIMTEC390126,MCULE-9978160117,EMOLS-id_5128354	546.934	PUYBAOCNJJIDGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157344
Cc1ccc(cc1)S(=O)(=O)n1c2c(C(=[I](=CC=C2)C)[N+](=O)[O-])n(c1=O)CC(=O)OC	PC-id_163858660	546.991	PAPHKCNSIHYQKB-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-157345
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)c(OC)cc1	PC-id_17269891	547.089	FWYXYFMPDOGZAL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157346
Clc1ccc(n2c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)nc(=O)cc2N)cc1	PC-id_4220158	547.089	IQQVGXUBCRZSMZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157347
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_20121785	547.089	PWHHAFCACUPCQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157348
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cccc1	PC-id_17304998	547.089	MJIUYCGEZCEFAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157349
COC1=CC(=NC=C1)NC(=O)C2=C(C=C(C=C2)CN3[C@@H](C(=O)NC4=C(C3=O)SC=C4)CC5=CC=CC=N5)Cl	PC-id_164916592	547.108	YEAAWFZSMFEJLW-JOCHJYFZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157350
Clc1sc(OC(=O)NC2CC(N(C2)C(=O)c2sc3c(c2)CCN(CC3)C)CNS(=O)(=O)C)cc1	PC-id_70893563,SCHEMBL13372678	547.111	WGFPNQZUCRNNPW-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-157351
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC(CO)O)Nc1c(cc(cc1)I)F)C	PC-id_91388215	547.382	UJTFIEZOEAKKAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157352
s1c2c(CCCCC2)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_3264823	547.383	UTQCJDGBMCOSCG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-157353
s1c2c(CCCCCC2)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_4604810	547.383	ACEHWQZTPWUCLZ-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-157354
Brc1c2NC(=O)C(=Cc3[nH]c4CCCN(CCCN5CC(OCC5)O)C(=O)c4c3C)c2cc(F)c1	PC-id_68529520,SCHEMBL3149016	547.417	MRQWQGSMNWUBJE-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-157355
Brc1c2NC(=O)C(=Cc3[nH]c4CCCN(C[C@@H](O)CN5CCOCC5)C(=O)c4c3C)c2cc(F)c1	PC-id_25131960,SCHEMBL3144741	547.417	XEJWXHIPFZZAGL-INIZCTEOSA-N	00000010100010100101000000001010000000000000000000000000	31-01-157356
Brc1c2NC(=O)C(=Cc3[nH]c4CCCN(CC(O)CN5CCOCC5)C(=O)c4c3C)c2cc(F)c1	PC-id_68527837,SCHEMBL3144733	547.417	XEJWXHIPFZZAGL-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-157357
OC(CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)cc2Br)CN1CCOCC1	SCHEMBL3144728	547.417	XEJWXHIPFZZAGL-WQRHYEAKSA-N	00000010100010100101000000001010000000000000000000000000	31-01-157358
O[C@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)cc2Br)CN1CCOCC1	SCHEMBL3144722	547.417	XEJWXHIPFZZAGL-GYXHFJGISA-N	00000010100010100101000000001010000000000000000000000000	31-01-157359
BrC1CCN(CC2CCN(CC2)C(=O)OC(C)(C)C)c2nn(cc2C1=O)Cc1ccc(OC)cc1	PC-id_66668775,SCHEMBL369936	547.484	YURUKQBXFFPFCM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157360
BrC1CCN(CC2CC(N(CC2)C(=O)O)C(C)(C)C)c2nn(cc2C1=O)Cc1ccc(OC)cc1	PC-id_66668776,SCHEMBL369937	547.484	TUCGQMXBPKWLFY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157361
c1(NC(=S)NC(=O)c2ccc(cc2)Cn2cc(cn2)Br)sc2c(CCCCC2)c1C(=O)OC	SPECS-id_AK-968/41024578,ZINC22_2108605,CoCoCo_6598011,MCULE-8975089826,GD-id_ZINC02108605,EMOLS-id_4190506,PC-id_1763774,TIMTEC523803	547.488	WHYPKNMYCQXXIP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157362
CC1NC(C)CN(C1)C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700502	547.493	CFZQHXUQEKYHQU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157363
O=C(N1CCCn2c(C1)cc(n2)C(=O)N1C(C)CNCC1C)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700448	547.493	ZBELBLHCKYWECR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157364
O=C(N1CCCn2c(C1)cc(n2)C(=O)N1CCNCC1(C)C)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700437	547.493	JENLWVYDASXHTP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157365
O=C(N1CCCn2c(C1)cc(n2)C(=O)N1[C@H](C)CNC[C@@H]1C)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700370	547.493	ZBELBLHCKYWECR-GASCZTMLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157366
O=C(N1CCCn2c(C1)cc(n2)C(=O)N1[C@H](C)CNC[C@H]1C)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700395	547.493	ZBELBLHCKYWECR-HUUCEWRRSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157367
O=C(N1CCCn2c(C1)cc(n2)C(=O)N1[C@@H](C)CNC[C@@H]1C)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700495	547.493	ZBELBLHCKYWECR-GJZGRUSLSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157368
Clc1c(sc2c1ccc(Cl)c2)C(=O)N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C#N	PC-id_22196669	547.52	MESMDFJWXSKDIS-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157369
Brc1ccc(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)c2C)C)cc1	PC-id_19679250	547.531	WHQLDDKECAKHNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157370
Brc1ccc(Cn2ncc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2)cc1	PC-id_20170724	547.531	RUGRKDVEWGOLLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157371
Brc1ccc(Cn2nc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_20168314	547.531	IOOXLWUPFBDMLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157372
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn(Cc2ccc(cc2)C)c1	PC-id_20173052	547.531	ZUBVZTOCSQGMFU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157373
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nn(Cc2ccc(cc2)C)c1	PC-id_20173045	547.531	VCAAYCCZZNATJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157374
Brc1cn(nc1)Cc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1	PC-id_20173205	547.531	BHQUULNIDWPIRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157375
Brc1c(n(nc1C)Cc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1)C	PC-id_20171390	547.531	VVSWFRUWOMYDCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157376
CC(C1NCCC(C1)Nc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	PC-id_140700478	547.536	JIXHBGUCGMKSNC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157377
CC=C(C=CC(=C)C1CCCCn2c1nc(n2)Nc1c(cc(c(c1)OC)n1cnc(n1)C)F)OCC(F)(F)F	PC-id_91238266	547.548	WTOBPAXCRKEOKD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157378
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)NOCCCN1C(=O)c2c(C1=O)cccc2	PC-id_23296765,SCHEMBL8164625	547.556	BNKVNQLRFUCYHL-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-157379
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OCCN1C(=O)c2c(C1=O)cccc2)C	PC-id_23296737,SCHEMBL8165530	547.556	GRWRGXQVQCZMKF-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-157380
COCCN(C(=O)CON(C(=O)Cc1ccc2-c(cc1)c(c(c2C(=O)OCC)N)C(=O)OCC)C)CCOC	SCHEMBL6878323,PC-id_23296736	547.597	WIWMHNUPVZMRRL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-157381
c1cc(CNC(=O)CCN(CCOC)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)cc2OCOc12	MCULE-3855172599,EMOLS-id_25387448,PC-id_46049938	547.602	HCHRCVDAOIVOAC-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-157382
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)CC=C)C#N	PC-id_21164467	547.616	JMWUMIFCULNGMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157383
CCOC(=O)CCc1c(/C=C/2C(=O)Nc3c2cc(cc3)NS(=O)(=O)c2ccccc2)[nH]c2c1C(=O)CCCC2	SCHEMBL12792923,PC-id_46846738	547.622	YYKUEHTWXMWXDH-XLNRJJMWSA-N	00000010100000110100000000001010000000000000000000000000	31-01-157384
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2c(cccc2)C)cc1)C(=O)OCC	PC-id_5019445	547.622	KXCSTWOPNFZPAF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157385
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2c(cccc2)C)cc1)C(=O)OCC	PC-id_9689022	547.622	KXCSTWOPNFZPAF-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157386
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2cc(ccc2)C)cccc1)C(=O)OCC	PC-id_4105043	547.622	ZFJDFVKXHOPBQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157387
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2ccc(cc2)C)cccc1)C(=O)OCC	PC-id_5222951	547.622	LWYNVJSLTHTDRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157388
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccc(cc2)C)cccc1)C(=O)OCC	PC-id_9612733	547.622	LWYNVJSLTHTDRT-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157389
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2cc(ccc2)C)cccc1)C(=O)OCC	PC-id_9647279	547.622	ZFJDFVKXHOPBQK-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157390
S(=O)(=O)(Nc1cc2C(=Cc3[nH]c4c(c3CCC(=O)OCC)C(=O)CCCC4)C(=O)Nc2cc1)c1ccccc1	PC-id_75219979	547.622	YYKUEHTWXMWXDH-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-157391
Cn1cc2c(n1)c(ccc2)C(=O)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451526	547.635	VCNXVIRPMOLIRZ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157392
O=C(c1ccc2c(c1)n(C)nc2)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451414	547.635	GFJNMOXOLNOEBK-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157393
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(F)c(c2)NCc1ccc(cc1)F)CC	SCHEMBL3141462,PC-id_25113816	547.639	YSBQCLOBOCMQTI-KQWNVCNZSA-N	00000010100000110100000000001010000000000000000000000000	31-01-157394
Fc1cc2C(=Cc3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)C(=O)Nc2cc1NCc1ccc(F)cc1	PC-id_68526625	547.639	YSBQCLOBOCMQTI-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-157395
O1C(C(C)C)C(C)C=CC(=O)NCC=CC(=CC(O)CC(OCOC)Cc2occ(n2)C(=O)NC(C1=O)C)C	PC-id_74822506	547.64	AAGXAXLINNZLLC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-157396
O1C(C(C)C)C(C)C=CC(=O)NCC=CC(=CC(OCOC)CC(O)Cc2occ(n2)C(=O)NC(C1=O)C)C	PC-id_74001097	547.64	JTGWOKWKROWFRM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-157397
O1[C@H](C(C)C)[C@H](C)C=CC(=O)NC/C=C/C(=C/[C@@H](O)C[C@@H](OCOC)Cc2occ(n2)C(=O)N[C@@H](C1=O)C)/C	PC-id_10697858	547.64	AAGXAXLINNZLLC-ADWRTQGVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-157398
O1[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC/C=C/C(=C/[C@@H](O)C[C@@H](OCOC)Cc2occ(n2)C(=O)N[C@@H](C1=O)C)/C	PC-id_42620192	547.64	AAGXAXLINNZLLC-OZUBNNJFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-157399
O1[C@H](C(C)C)[C@H](C)/C=C/C(=O)NCC=CC(=C[C@@H](OCOC)C[C@@H](O)Cc2occ(n2)C(=O)N[C@@H](C1=O)C)C	PC-id_10554618	547.64	JTGWOKWKROWFRM-XVAPCXQDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-157400
s1c2c(CCCCC2)c(c1NC(=O)CSc1oc(nn1)c1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_4189777	547.644	JAXHKJVYONSZMP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157401
O=C1N(N(C(=O)c2c(c(C[C@H](O)CO)ccc2c2ccccc2)C(=O)C(N)C(C)C)C)c2c([nH]cc2)C(N)CC1	PC-id_67643002,SCHEMBL8620779	547.645	ZGPBDXIQRQALKF-JIZYPXFJSA-N	00000000100000110100100000000010000000000000000000000000	31-01-157402
O=C1N(N(C(=O)c2c(c(CC(O)CO)ccc2c2ccccc2)C(=O)C(N)C(C)C)C)c2c([nH]cc2)C(N)CC1	PC-id_77328614	547.645	ZGPBDXIQRQALKF-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-157403
C1(=O)N[C@H](CN(c2cn(nc12)CCc1ccccc1)Cc1ccc(cc1)C)COC(=O)c1cn(c2c1cccc2)C	CHEMBL577975,PC-id_45486086,BindingDB_PC-id_45486086	547.647	WCVBQRGVBIDZMX-AREMUKBSSA-N	00000000100000110101000001100010000000000000000000000000	31-01-157404
O(CC1NC(=O)c2nn(cc2N(C1)Cc1ccc(cc1)C)CCc1ccccc1)C(=O)c1c2c(n(c1)C)cccc2	PC-id_75116416	547.647	WCVBQRGVBIDZMX-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-157405
O(CC1NC(=O)c2nn(cc2N(C1)Cc1c(cccc1)C)CCc1ccccc1)C(=O)c1c2c(n(c1)C)cccc2	PC-id_75116419	547.647	NZZMJXPGNXEYHM-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-157406
O(C[C@@H]1NC(=O)c2nn(cc2N(C1)Cc1c(cccc1)C)CCc1ccccc1)C(=O)c1c2c(n(c1)C)cccc2	PC-id_45486089	547.647	NZZMJXPGNXEYHM-AREMUKBSSA-N	00000000100000110101000001100010000000000000000000000000	31-01-157407
s1c(C(=O)Nc2c(c(C3NNC(=O)C(Nc4nn5c(CN(CCC5)C)c4)C3)ccc2F)C)cc2c1cccc2	PC-id_76817797	547.647	UKXNLZPBIUFXHG-UHFFFAOYSA-N	00000000100010110101100001000010000000000000000000000000	31-01-157408
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(C(C1)O)nc(s2)OCC(F)(F)C	PC-id_138670400	547.66	CNOIYQUHXOKKAH-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157409
Cn1nc2c(c1)c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(C(C1)O)nc(s2)OCC(F)(F)C	SCHEMBL21040739	547.66	CNOIYQUHXOKKAH-IQHDZCMKSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157410
C=CCOc1c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc([N+](=O)[O-])cc1OC	ZINC22_408969526	547.665	PIJFRCFCDURUHJ-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157411
COC(=O)c1c(C(=O)OC)c(n2c1CCCN(Cc1ccccc1)C(=O)N(C/C=C/C2)C)Sc1ccccc1	PC-id_102421147	547.665	NXPMKGVISNUHOH-ZHACJKMWSA-N	00000000100000110111000000000010000000000000000000000000	31-01-157412
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OCc2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_5074567	547.665	XWDQZUGQKIKIFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157413
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OCc2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_6263580	547.665	XWDQZUGQKIKIFW-UZWMFBFFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157414
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2)cc1)C(=O)OC	PC-id_20167574	547.67	CJOWBFWPQZFFIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157415
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc(F)c2)C(=O)OC	PC-id_4090120	547.685	ZZIYYLOXEAXENY-FVDSYPCUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157416
C/C=C(/C=C(/C(C([C@@H]1OC(=O)/C=C/c2csc(n2)[C@@H](C)[C@@H](C[C@H](/C=C/C=CC[C@H]([C@@H]1O)O)O)O)C)O)C)C	PC-id_102585142	547.703	FIPPSSOVPCVSAN-KZEGVCGRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-157417
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc(OC)c2)C(=O)OC	PC-id_4168750	547.71	LFONCQIGLBWYOV-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157418
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc(OC)c2)C(=O)OCC	PC-id_4621978	547.71	WAHGQWBNVIMBEY-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157419
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc(OCC)c2)C(=O)OC	PC-id_3632894	547.71	OUUPRDOQNRWPQC-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157420
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOC)cccc2)C(=O)OC	PC-id_5194924	547.71	ZZCIOYYAVSYQFE-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157421
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccs3)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3274648,MCULE-6375330859,EMOLS-id_11051618	547.713	KBVQNWAQMWVWKC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-157422
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2cccs2)C)sc2c1CCCCC2	CoCoCo_2662194,PC-id_97991705	547.713	KBVQNWAQMWVWKC-CQSZACIVSA-N	00000000100100000101000000000010000000000000000000000000	31-01-157423
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2cccs2)C)sc2c1CCCCC2	PC-id_97991706,CoCoCo_2662193	547.713	KBVQNWAQMWVWKC-AWEZNQCLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-157424
CN(C1=CCC=c2c(=C1)nc(n2C)NC1CCCCCC1)c1ccnc(n1)Nc1ccc(cc1)CS(=O)(=O)C	PC-id_142803378	547.715	JWHWQCXEIZXYLZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-157425
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC=C)C#N	PC-id_19642319	547.735	MLQGAOUAEKEWLZ-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-157426
Cc1c2-c(c(cc2C=Cc2cc(c3-c2c(ccc(c3)C(C)C)C)C=[N+](C(C)(C)C)[O-])C=COC)cc(cc1)C(C)C	PC-id_88955517	547.769	ZOAZLDXTOTWANU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-157427
COC=Cc1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(C)(C)C)[O-]	SCHEMBL12743796	547.769	ZOAZLDXTOTWANU-DZIJSWLISA-N	00000010100000000110000000000010000000000000000000000000	31-01-157428
s1c2c(CCCCCC2)c(c1NC(=S)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)OCC	PC-id_19654340	547.774	VLBOCAJXYCSZIH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157429
CC(C)CN1C[C@@H](NC(=NCCN2CCOCC2)c2nn(cc12)CC(C)C)CCCCNC(=O)OC(C)(C)C	PC-id_135858183	547.776	VRQLIZLTUSNULC-DEOSSOPVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-157430
O1CCN(CCNC2=NC(CN(CC(C)C)c3c2nn(c3)CC(C)C)CCCCNC(=O)OC(C)(C)C)CC1	PC-id_75217815	547.776	VRQLIZLTUSNULC-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-157431
C/C=C(/N1CCCC1)C=C/Cc1nc2n(c1NCC(=O)N1CCN(CC1)CCC1CCCCCC1)C=CN=CC2	PC-id_144326056	547.778	NBLOAHYAKQOMGF-CIKYJTTCSA-N	00000010100010000111000000000010000000000000000000000000	31-01-157432
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)ccc(F)c1	PC-id_19640792	548.096	KSHWJMZFZFWVAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157433
CC(C(F)(F)F)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)C4=CC=CC5=NN(C=C54)C	PC-id_161447398	548.243	WABMNJVHVKRQSI-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157434
CC(COC1=NC2=C(S1)CCN(CC2F)CCC3CCC(CC3)CC(=O)C4=CC=CC5=NN(C=C54)C)(F)F	PC-id_162044769	548.243	YXSYSINTYDTGPI-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157435
C[C@H](C(F)(F)F)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)C4=CC=CC5=NN(C=C54)C	PC-id_161447399	548.243	WABMNJVHVKRQSI-XEVCZEQESA-N	00000000100010100101000001000010000000000000000000000000	31-01-157436
CC(C)OC(=O)C1=CN(CC(C2=C(NN=C12)C(F)(F)F)(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4	PC-id_160063298	548.261	OPTSRPDLIPVGOP-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157437
O=CN(Cc1cn2c(n1)CC=CC(=C2)CC(F)(F)F)/C=Cc1c(C)[nH]cc1C(=O)c1c(F)cc(cc1F)P	PC-id_143911544	548.444	RLUNMZCZIDBMKN-WAYWQWQTSA-N	00000000110000110111000000000010000000000000000000000000	31-01-157438
Brc1ccc(c2oc(/C=c/3s/c(=C(c4n5CCCCCc5nn4)/C#N)/n(c3=O)CC=C)cc2)cc1	PC-id_2312106	548.454	GYRMAKRROJRTRI-IWZPIPTHSA-N	00000000101000110101100000000010000000000000000000000000	31-01-157439
Brc1ccc(c2oc(/C=c/3s/c(=C(/c4n5CCCCCc5nn4)C#N)/n(c3=O)CC=C)cc2)cc1	PC-id_2312108	548.454	GYRMAKRROJRTRI-AILCBCOOSA-N	00000000101000110101100000000010000000000000000000000000	31-01-157440
Brc1ccc(c2oc(C=c3sc(=C(c4n5CCCCCc5nn4)C#N)n(c3=O)CC=C)cc2)cc1	PC-id_4194969	548.454	GYRMAKRROJRTRI-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-157441
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)ccc(Cl)c1	PC-id_17305273	548.508	ZRSFJXWFMZXQFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157442
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)cc(Cl)cc1	PC-id_21167095	548.508	ALOCTICKVFOWTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157443
CC1CNc2c(C=C1C(=O)N1CCOCC1)[nH]c(n2)Cn1ccc2c(c1=O)[nH]cc2C(=O)c1c(F)cccc1F	PC-id_143911502	548.541	JSPZGPBGXFDWQE-UHFFFAOYSA-N	00000000100010110111000001000010000000000000000000000000	31-01-157444
CC(=O)OC[C@H]1O[C@@H](c2cccc(c2)Cc2cc3-c(c2)ccccc3)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C	PC-id_58786162,SCHEMBL5271015	548.58	GULSBCJODYGOMQ-WUWJBHAQSA-N	00000010100010110110100000000010000000000000000000000000	31-01-157445
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C)c1cc(Cc2cc3-c(c2)ccccc3)ccc1	PC-id_72423649	548.58	GULSBCJODYGOMQ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-157446
s1c(c2OCC(Cc3ccccc3)(Cc3ccccc3)COc2c1C(O)c1ccccc1)C(O)c1ccccc1	PC-id_12148662	548.691	BKMTZQILPKRODZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157464
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC(F)F)cc1)CC=C)C(=O)OC	PC-id_17307649	548.625	BRWDFCVQLBTAEC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157447
S(=O)(=O)(N[C@@H](CNC(=O)c1nn2CCCN(CCC3CCNCC3)C(=O)c2c1)C(=O)O)c1ccc(cc1)[14CH3]	PC-id_10674185	548.632	YLFFZEQHDMFOEC-LFTNDOCESA-N	00000000100010110101000000000010000000000000000000000000	31-01-157448
C1CN(C(=O)c2c(N1)nc(n2Cc1ccccc1)COc1cccc(c1)N1CCOCC1)Cc1ccccc1C#N	PC-id_134808661	548.635	ODIJTKYRPPPCMI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-157449
CC(C)[C@H]1CN(CC(=O)N[C@@H](Cc2ccccc2)c2nc(C)nn2CC(=O)N[C@H](C)C(=O)N1)C(=O)c1cc[nH]c1	PC-id_135092034,MCULE-6812805841,EMOLS-id_317366662	548.637	DJDGWTGENXAZEY-YFXJRYMSSA-N	00000000110000110101000000000010000000000000000000000000	31-01-157450
CCCOc1ccc(cc1)C(=O)N1C=C(C(=O)OC(C)C)c2c(C(C1)(C)C)c(c([nH]2)C(C(F)(F)F)C)C(C)C	PC-id_145409528	548.637	QHWZVGUPHDGYHY-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-157451
S(=O)(=O)(N[C@@H](CNC(=O)c1nn2CCCN(CCC3CCNCC3)C(=O)c2c1)C(=O)O)c1ccc(cc1[3H])C	PC-id_11800761	548.647	YLFFZEQHDMFOEC-FDXZRALSSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157452
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc([N+](=O)[O-])c2)C(=O)OC	PC-id_4151019	548.655	ALGRIGXJVCZOEB-BZZOAKBMSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157453
Cc1c(cccc1N/C(=c
/cc2C=CC=CC=c2s1)/O)C1=CC(=Nc2ncc(cc2)C2CCCN2C)C(=O)N=N1	PC-id_137315500	548.658	XQIOVXDBTHYXBS-CYCBANPLSA-N	00000010100011111111100000000010000000000000000000000000	31-01-157454
CN1CCCC1c1ccc(nc1)Nc1cc(n[nH]c1=O)c1cccc(c1C)NC(=O)c1cc2=CC=C=CC=c2s1	SCHEMBL19981751	548.658	KKDWKMCZCWYWDB-UHFFFAOYSA-N	00000010100000111111100000000010000000000000000000000000	31-01-157455
c1(NC(=O)COCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)sc2c(CCCCC2)c1C(=O)OC	CoCoCo_5018651,MCULE-3755692229,ZINC22_97985339,EMOLS-id_5475020,PC-id_4090137	548.671	RRLGMNHJFHYIQX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-157456
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)Cc2ccc(F)cc2)nn1)C(=O)OCC	PC-id_23731854	548.673	ZOPQJVTVZLKMLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157457
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(nn1)NC(=O)c1ccc(F)cc1)C)C(=O)OCC	PC-id_24077424	548.673	ZLJKCHHDOOSFFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157458
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(nn1)NC(=O)c1cc(F)ccc1)C)C(=O)OCC	PC-id_23768466	548.673	IALCDNOMQSZGBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157459
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(nn1)NC(=O)c1c(F)cccc1)C)C(=O)OCC	PC-id_24161343	548.673	OSLKAYKRYXFYKB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157460
O(C(=O)N1CCC(CC1)CCN1CCCn2nc(cc2C1=O)C(=O)NC[C@H](N)C(=O)OC(C)(C)C)C(C)(C)C	PC-id_11800764	548.675	KAJRQHIOCNYQNC-IBGZPJMESA-N	00000000100010000101000000000010000000000000000000000000	31-01-157461
O(C(=O)N1CCC(CC1)CCN1CCCn2nc(cc2C1=O)C(=O)NCC(N)C(=O)OC(C)(C)C)C(C)(C)C	PC-id_73107462	548.675	KAJRQHIOCNYQNC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-157462
S(=O)(=O)(N1CCN(CC1)C(=O)OCC)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)cc1	PC-id_43947632	548.675	JHOOYKQEMULQMX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157463
C[C@H](Cc1ccc(c(c1C(=O)C(C(C)C)N)C(=O)N(N1C(=O)CCC(c2c1ccs2)N)C)c1ccccc1)O	PC-id_67642589,SCHEMBL8618801	548.696	LGJWQXJSKWOPHX-HKUGUXRHSA-N	00000000100000110100100000000010000000000000000000000000	31-01-157465
s1c2C(N)CCC(=O)N(N(C(=O)c3c(c(CC(O)C)ccc3c3ccccc3)C(=O)C(N)C(C)C)C)c2cc1	PC-id_77328519	548.696	LGJWQXJSKWOPHX-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-157466
C1CCN(CC1)CCC(=O)Nc1cccc(c1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCOCC1	PC-id_89125881	548.7	ABVYZEWHFIHNCX-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157467
O=C(Nc1cccc(c1)N/C/1=N/Cc2cc(sc2/C=CC/C=N1)C(=O)N1CCOCC1)CCN1CCCCC1	SCHEMBL13591897	548.7	ABVYZEWHFIHNCX-GLEGATMNSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157468
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CC2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18908943	548.716	PIOVQLLLKHKVHP-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-157469
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/c2ccccc2)ccc1)CC)C(=O)OC	PC-id_18909173	548.716	IHHOJXFZCCARFX-ISLYRVAYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157470
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=Cc2ccccc2)ccc1)CC)C(=O)OC	PC-id_73470691	548.716	IHHOJXFZCCARFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157471
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/c2ccccc2)ccc1)C)C(=O)OCC	PC-id_18909108	548.716	SUIPXIQLPAYKAJ-ISLYRVAYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157472
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=Cc2ccccc2)ccc1)C)C(=O)OCC	PC-id_73470626	548.716	SUIPXIQLPAYKAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157473
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CC2)ccc1)c1ccccc1)C(=O)OC	PC-id_18908944	548.716	VOIOOCFKXLOMQF-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-157474
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/c2ccccc2)ccc1)C)C(=O)OC	PC-id_18909109	548.716	MOXUBSXOZRLLGM-ISLYRVAYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157475
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=Cc2ccccc2)ccc1)C)C(=O)OC	PC-id_73470627	548.716	MOXUBSXOZRLLGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157476
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C=C/c2ccccc2)ccc1)C(=O)OCC	PC-id_18909143	548.716	PMBPLXMDHKTIQS-ISLYRVAYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157477
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C=Cc2ccccc2)ccc1)C(=O)OCC	PC-id_73470661	548.716	PMBPLXMDHKTIQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157478
Cc1cc(c(c(=O)[nH]1)CN1CCCc2c(C1=O)c(c(s2)C(C)C1CCN(CC1)Cc1cc(ncc1)OC)C)C	SCHEMBL20240350,PC-id_134587816	548.739	IOUBNGDFYYPPKL-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-157479
Cc1cc(c(c(=O)[nH]1)CN1CCCc2c(C1=O)c(c(s2)C(C)C1CCN(CC1)Cc1nc(ccc1)OC)C)C	SCHEMBL20240346,PC-id_134587812	548.739	KMNZUGCFQUWDIZ-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-157480
Cc1cc(c(c(=O)[nH]1)CN1CCCc2c(C1=O)c(c(s2)[C@H](C)C1CCN(CC1)Cc1nc(ccc1)OC)C)C	PC-id_134587811,SCHEMBL20240345	548.739	KMNZUGCFQUWDIZ-OAQYLSRUSA-N	00000000100010101100000000000010000000000000000000000000	31-01-157481
COc1nccc(c1)CN1CCC(CC1)[C@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL18362964	548.739	IOUBNGDFYYPPKL-OAQYLSRUSA-N	00000000100010101100000000000010000000000000000000000000	31-01-157482
CCCCOc1ccc(cc1C1(O)C[C@@H](OCCCC)C[C@H](O1)COCCCC)Cc1cc2-c(c1)ccccc2	PC-id_71196305,SCHEMBL14536453	548.753	WHBWSVYCEFMUEU-SVYHFPLZSA-N	00000010100010110110100000000010000000000000000000000000	31-01-157483
O1C(O)(CC(OCCCC)CC1COCCCC)c1c(OCCCC)ccc(c1)Cc1cc2-c(c1)ccccc2	PC-id_78026943	548.753	WHBWSVYCEFMUEU-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-157484
CC1CCCc2c(CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=Cc1csc(n1)C)C)sc(n2)C	PC-id_91157785	548.758	PUCRCKQGARODFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157485
O=C1O[C@@H](Cc2sc(nc2CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)C)C(=Cc1csc(n1)C)C	PC-id_69810591,SCHEMBL6520837	548.758	PUCRCKQGARODFQ-XOZRHWQFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157486
s1c2CCCC(C(O)C(C(=O)C(C(O)CC(=O)OC(Cc2nc1C)/C(=C/c1nc(sc1)C)/C)(C)C)C)C	PC-id_21341866	548.758	LYDCLENAWKNXHG-LFIBNONCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157487
s1c2CCCC(C(O)C(C(=O)C(C(O)CC(=O)OC(Cc2nc1C)C(=Cc1nc(sc1)C)C)(C)C)C)C	PC-id_73781960	548.758	LYDCLENAWKNXHG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157488
s1c2c(nc1C)CCCC(C(O)C(C(=O)C(C(O)CC(=O)OC(C2)/C(=C/c1nc(sc1)C)/C)(C)C)C)C	PC-id_21341867	548.758	PUCRCKQGARODFQ-LFIBNONCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157489
s1c2c(nc1C)CCC[C@@H]([C@H](O)[C@H](C(=O)C([C@@H](O)CC(=O)OC(C2)/C(=C/c1nc(sc1)C)/C)(C)C)C)C	PC-id_59066064	548.758	PUCRCKQGARODFQ-GKDPSOALSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157490
s1c2c(nc1C)CCC[C@H]([C@@H](O)[C@H](C(=O)C([C@@H](O)CC(=O)O[C@H](C2)/C(=C/c1nc(sc1)C)/C)(C)C)C)C	PC-id_21458156	548.758	PUCRCKQGARODFQ-BEWAHYJLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157491
s1c2c(nc1C)CCC[C@@H]([C@H](O)[C@H](C(=O)C([C@@H](O)CC(=O)O[C@@H](C2)/C(=C/c1nc(sc1)C)/C)(C)C)C)C	PC-id_9872232	548.758	PUCRCKQGARODFQ-FXZMUTJPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157492
Brc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2c(Cl)cccc2F)c1	PC-id_19523719	548.759	SWWMSCPQIHJVKI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157493
c1(sc2c(CCCCC2)c1C(=O)OCC)NC(=S)N1CCC(CC1)C(O)(c1ccccc1)c1ccccc1	TIMTEC24873,EMOLS-id_4190860,ZINC22_97948011,MCULE-5367409362,PC-id_17376719,CoCoCo_6812356	548.759	AAKFEMUYPHVHMF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-157494
CCCCCCCCCCCCCCCC(CC)NC(c1cccc2-c(c(cc2)C=CC(C)(C)N=O)c1)C(C)C	PC-id_88234057,SCHEMBL7999997	548.885	ZEKIUIYOEFJNJY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-157495
CCOC(=O)c1c(Nc2ccc(cc2Cl)I)sc2c1CC(C)(C)CN=C2SC	SCHEMBL4257330,PC-id_68977178	548.888	WSECXUYILVSITL-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-157496
CCCCC(CCCC1(CCCC(CCCC)CC)COc2c(OC1)c(sc2C(C)(C)C)C(C)(C)C)CC	SCHEMBL20653284,PC-id_137419291	548.946	ORSOHJYFEHPSFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157497
Clc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC)C1CC1	PC-id_20176746	549.072	WWVFVHHFUZIGKN-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-157498
Clc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC)C1CC1	PC-id_20176739	549.072	IGPGURQDRWZUAH-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-157499
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)c(OC)cc1	PC-id_19731668	549.105	XHMKZYUPJHCHSY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157500
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)c(OC)cc1	PC-id_19731593	549.105	BTXBCGIUQROWPX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157501
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)cc1)C	PC-id_17302429	549.105	VVSQHQVGROVXGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157502
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)cc1)C	PC-id_19634232	549.105	PJMDDKXKQPNOKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157503
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cc1	PC-id_20121752	549.105	GGIJCAQHSPECSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157504
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc1C)C	PC-id_19634460	549.105	ANRBFNOZBUGBGP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157505
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)C)cc1)C	PC-id_17267343	549.105	UOSPJNZVXMXRGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157506
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)cc1)C	PC-id_19634261	549.105	LWDYZAQUBOOVGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157507
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)cc1)C	PC-id_20121995	549.105	JFEMFMVIJHZJDO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157508
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)C)cc1)C	PC-id_20122198	549.105	WHDAUZRHPHUGPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157509
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cc1)C	PC-id_17262859	549.105	MJUMXBNYGIATJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157510
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cc1)C	PC-id_19634169	549.105	IVJIANBQTQRCSR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157511
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cc1	PC-id_20121711	549.105	RLTHVTIFDONFFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157512
Clc1cc(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)ccc1	PC-id_20122678	549.105	YMPNPQHQVCHYST-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157513
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)C)ccc1	PC-id_20122634	549.105	LONWYLGMDIGRME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157514
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)C)ccc1	PC-id_20122552	549.105	HVPXNVGSXPBDGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157515
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cccc1	PC-id_19638650	549.105	SGBPUWJGVFMEKL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157516
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)cc(cc1)C	PC-id_20129100	549.105	BJBGSARGIQSBJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157517
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cccc1	PC-id_19631978	549.105	YDRSRJHRXIDHFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157518
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)C)cccc1	PC-id_19638604	549.105	RUKFPKMQRVBITH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157519
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)C)cc(cc1)C	PC-id_19635095	549.105	PQLIPRQCZVEIBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157520
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)cc(cc1)C	PC-id_21164031	549.105	UJLSNKGHZAOLHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157521
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cc(cc1)C	PC-id_20129028	549.105	RCUKEYJECLVTFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157522
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cccc1	PC-id_19631904	549.105	CQXLACFKJGQUNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157523
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)C)cccc1	PC-id_19638538	549.105	ZJHSLAJPZUEDIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157524
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2C)C)c(F)ccc1	PC-id_20167033	549.123	PTXYHLKKECYDMN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157525
CC(C)CCC1CC(=O)C2=C(N=C(N2CC3=CC=C(C=C3)Cl)OC4=CC(=CC=C4)OC(F)(F)F)N(C1=O)C	PC-id_148142901	549.164	JXGLCKRWRASDBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157526
CC1=NN=C(S1)CC(=O)NC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCCC(F)(F)F)F	PC-id_147569555	549.186	FUFXFMAPOLKTBS-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-157527
CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)C3=CC(=C4C3=CC=CC=C4)C(C5=CC=CC=C5)C(=O)OC	PC-id_150952705	549.197	LKKYMXRRADDIOW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157528
CN1N=CC(=N1)CC(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCC(C(F)F)(F)F)F	PC-id_160545471	549.22	QXJHWOKJGVDJAW-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-157529
C[C@H](C(F)(F)F)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)NC(=O)C4=CC=CC5=NN(C=C54)C	PC-id_149107119	549.239	QVWNZRUILCXOBY-LMDPOFIKSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157530
CN1C=C2C(=N1)C=CC=C2CC(=O)NC3CCC(CC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F	PC-id_165112404	549.239	CHFNGKXNJCPICF-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157531
CN1CCc2c(C(C1=O)Cc1cc(Br)c(c(c1)Br)O)n(cn2)COCc1ccccc1	PC-id_102124576	549.255	IOESZSQSOMPTOZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157532
[Sb](Cl)(c1c(Cl)c2-c(c1Cl)ccccc2)c1c(Cl)c2-c(c1Cl)ccccc2	PC-id_86021053	549.318	QKUOCHZTBAYSIV-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-157533
COC1=c2c(=[I]N(C=C1)[O-])[nH]cc2C(=O)C(=O)N1CCN(C[C@H]1C)C(=O)c1ccccc1	PC-id_142277444	549.338	MHHADGUBNKPKDN-CQSZACIVSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157534
O=C(C1OCCN(C1)S(=O)(=O)c1c([nH]c2=CC=C(CC=c12)Br)C(=O)N)NCCc1ccccc1	PC-id_142861595	549.437	HVFRJUVXCQKUTO-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157535
OCCCC1Cc2nc(n(c2C(=O)N(C1=O)CC)Cc1ccc(c(c1)Br)OC)N[C@@H]1CCC[C@H]1O	PC-id_142997182	549.457	UOMPBHIAZZJIFK-PUGIBVIZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-157536
Brc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)cc1	PC-id_19729383	549.504	YXQPJTRMPZXCQX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157537
C#CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)Nc1cc(C)ccc1C)CCCCCC2	ZINC22_408970170	549.522	BXRHJWVAJHZOPQ-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157538
COc1cc(ccc1OC(C)C)C(=O)N1CCCN(CCn2c(CCC1)ccc2C(F)(F)F)CC(F)(F)F	SCHEMBL18888335	549.549	QFVGTEUXDGVVMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157539
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1)C(=O)OCC	PC-id_19678380	549.559	ZTGFKNIADRTEIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157540
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1)C(=O)OC	PC-id_19678373	549.559	CTHYHMKWBCDZEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157541
O=C1N(c2c([nH]c(c2)C(=O)O)[C@H](N([C@H]1CCCN)C(=O)Oc1ccc([N+](=O)[O-])cc1)C(C)C)Cc1ccccc1	PC-id_53344517	549.575	FSCHAEDTAKZBMX-WIOPSUGQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157542
O=C1N(c2c([nH]c(c2)C(=O)O)C(N(C1CCCN)C(=O)Oc1ccc([N+](=O)[O-])cc1)C(C)C)Cc1ccccc1	PC-id_76017521	549.575	FSCHAEDTAKZBMX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157543
CC(C)NC(=O)C1=CN(CC(C)(C)c2c(n[nH]c12)C(F)(F)F)C(=O)c1ccc(OCCN2CCOCC2)cc1	BindingDB-id_731689,PC-id_121358762,SCHEMBL17777828	549.585	DPOMOUWBZGBYPZ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157544
CCO[P+](C(c1cc(c2-c1cc(ccc2C)C(C)C)S(=O)(=O)OC)Nc1ccc(cc1)OC)(OCC)[O-]	PC-id_102493969	549.616	UOUZKVCAWHVBSI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157545
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)cc(OC)c1)C(=O)OCC	PC-id_4284374	549.616	BRDUDIDAKGGKST-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157546
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)c(OC)cc1)C(=O)OCC	PC-id_5166023	549.616	PAMVCUCQUOFIAS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157547
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(OC)cccc1OC)C(=O)OCC	PC-id_3506039	549.616	HEYCNCHBXHACKH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157548
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1c(OC)ccc(OC)c1)C(=O)OCC	PC-id_3672645	549.616	GUTMZQKBBWZUGB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157549
O=C1OC[C@H](N1CC(=O)N1C[C@@H](Cc2ccccc2)NC(=O)c2c1cn(n2)CCc1ccccc1)c1ccccc1	PC-id_142695301	549.62	KQCXLYOXXBWNKW-IAPPQJPRSA-N	00000010100000110101100000000010000000000000000000000000	31-01-157550
CC(C)[C@H]1CN(CC(=O)N[C@@H](Cc2ccccc2)c2nc(C)nn2CC(=O)N[C@H](C)C(=O)N1)C(=O)c1cn[nH]c1	EMOLS-id_317372762,PC-id_135102182,MCULE-5022474667	549.625	BPCAAGNXUXPGRN-VOQZNFBZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157551
O=C1N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)Cc2nnn(C(=O)N[C@H]1CCCCN)c2)C=O	PC-id_73213767	549.626	UKMFWIUWMLFACD-SZMVWBNQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157552
s1c2CCCCCCc2c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C(F)(F)F)C#N	PC-id_21164365	549.631	ZERZVGBHNSSCMZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157553
CCCc1nc2c(n1Cc1ccc(c(c1)F)c1ccccc1S(=O)(=O)[N-]c1onc(c1C)C)C(=O)CCCC2	GD-id_ZINC36238170	549.636	FMQNSXSVOSRISA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157554
O=C(c1ncn(n1)Cc1ccccc1F)N[C@H]1CCn2c(N(C1=O)C)cc(n2)CCCCC1CC2OCC(C1)C2	SCHEMBL19659220	549.64	WXSZWQGTHYNUIG-VCFKWBLOSA-N	00000010100010110101000000000110000000000000000000000000	31-01-157555
COc1cc(ccc1OC(=O)c1ccc(cc1)S(=O)(=O)N(CC)CC)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3728123,PC-id_5794054	549.641	OHXNWSNXKXZVNL-OQKWZONESA-N	00000000100000110101000000000010000000000000000000000000	31-01-157556
COc1cc(ccc1OC(=O)c1ccc(cc1)S(=O)(=O)N(CC)CC)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3728124,PC-id_75408648	549.641	OHXNWSNXKXZVNL-XLNRJJMWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157557
COc1cc(ccc1OC(=O)c1ccc(cc1)S(=O)(=O)N(CC)CC)C=C(c1nnc2n1CCCCC2)C#N	EMOLS-id_301001458,PC-id_3326328,MCULE-8281540150	549.641	OHXNWSNXKXZVNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157558
CC(Oc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4nn(C)cc34)CCc2s1)C(F)(F)F	SCHEMBL21041536,BindingDB-id_989424	549.651	QVWNZRUILCXOBY-YIQCUVMYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157559
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(C(C1)F)nc(s2)OCC(F)(F)C	PC-id_138670747	549.651	WBJFVLJECJGBNN-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157560
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCCC(F)(F)F	PC-id_138671241	549.651	RXBLGWJXEYRJDJ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157561
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC(C(F)(F)F)C	PC-id_138671165	549.651	QVWNZRUILCXOBY-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157562
Cn1nc2c(c1)c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(C(C1)F)nc(s2)OCC(F)(F)C	SCHEMBL21041093	549.651	WBJFVLJECJGBNN-MKAMJTKASA-N	00000000100010100101000001000010000000000000000000000000	31-01-157563
Cn1nc2c(c1)c(ccc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCCC(F)(F)F	SCHEMBL21041617	549.651	RXBLGWJXEYRJDJ-WGSAOQKQSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157564
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C(/c1cc(F)c(cc1N)NCc1ccc(cc1)F)C=O)CC	PC-id_145511597	549.655	JYGYLCVEFFMEFJ-PXLXIMEGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157565
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCN(CC2)C(=O)OCC)sc2c(CCCCC2)c1C(=O)OC	PC-id_4384407,EMOLS-id_5475016,ZINC22_97985338,MCULE-3776525658,CoCoCo_5018649	549.66	WNIPHRVFGVXNGQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157566
S(=O)(=O)(N1C(CCC1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)NC(=O)OCC)c1ccc(OC)cc1	PC-id_16924008	549.66	YDQZVHCYGWNICR-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-157567
O=C1N[C@@H](C(CC)C)c2nnn(c2)C(=O)N[C@@H](CCCCCC(=O)CC)C(=O)N[C@H]1Cc1c2c([nH]c1)cccc2	PC-id_72549646	549.664	UCNDPNNUARAKRI-OQHLEMOZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-157568
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1occc1)C#N)C(=O)OCC	PC-id_23917443	549.664	QZCDKLGDEIVXLB-UHFFFAOYSA-N	00000000101000101100100000000010000000000000000000000000	31-01-157569
O=C1N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)CCc2nnn(CN[C@H]1CCCCN)c2)C=O	PC-id_73213917	549.67	GTOKNIOEGWSCNH-UFYCRDLUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157570
O=C1N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNCc2nnn(CCN[C@H]1CCCN=C(N)N)c2)C=O	PC-id_73214063	549.673	GWXVFIKPSBAACG-WDSOQIARSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157571
Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c(c1C)C(=O)N1CCCc2c(C1)cc(s2)S(=O)(=O)C)C(=O)N	PC-id_25187244,SCHEMBL3578644	549.683	GAHCRDYSGLENCR-UHFFFAOYSA-N	00000000110000110100000000000010000000000000000000000000	31-01-157572
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccccc1C#N	ZINC22_408971517	549.683	HJJZQJMUFGXAKO-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157573
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1C)ccc(c2)C)C(=O)OC	PC-id_3590824	549.683	MQWZIXCMIOMYBM-SHHOIMCASA-N	00000000100000100101000001000010000000000000000000000000	31-01-157574
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1C)cccc2)C(=O)OCC	PC-id_4083708	549.683	RKDPIQWIHFBCQQ-SHHOIMCASA-N	00000000100000100101000001000010000000000000000000000000	31-01-157575
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC)cccc2)C(=O)OC	PC-id_4606163	549.683	QCIRRQFIYDNKRY-SHHOIMCASA-N	00000000100000100101000001000010000000000000000000000000	31-01-157576
Cc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c2ccccc2n1Cc1ccc(F)cc1	ZINC22_409015346	549.701	OXGAIOGLWIPTBJ-QLQYKETESA-N	00000000100000110100000001100010000000000000000000000000	31-01-157577
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc(F)c2)C(=O)OCC	PC-id_4161143	549.701	ACTQNEUCKMWWIR-FVDSYPCUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157578
c1(NC(=S)NNC(=O)c2cc(OCC)c(c(OCC)c2)OCC)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC574485,MCULE-7435921221,CoCoCo_989703,PC-id_2954500,EMOLS-id_2468964	549.703	YMMOZAUPPQTNFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157579
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(c2ccc(OC)cc2)ccc1C#N)C(=O)OCC	PC-id_23861615	549.704	QVANGYISVFYTQN-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-157580
C=CS/C=C(/N(C(=O)OC(C)(C)C)/N=C/c1cc2=CCC(=CC=c2n1COC(C)C)C(c1ccccc1)O)C	PC-id_143017853	549.724	CZJQFAGFWCOIGZ-FABSLMEZSA-N	00000000100000110110000000000010000000000000000000000000	31-01-157581
CC(C)(C)c1cc(ccc1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCC(C1)NC(=O)OC(C)(C)C	PC-id_89125903	549.727	AUVNMGRRVQCYJF-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-157582
O=C(OC(C)(C)C)NC1CCN(C1)C(=O)c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1cccc(c1)C(C)(C)C	SCHEMBL13591935	549.727	AUVNMGRRVQCYJF-CTYSTFQZSA-N	00000010100000110111000000000010000000000000000000000000	31-01-157583
s1c2CCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC=C)C#N	PC-id_19639616	549.75	DVKSZNRYGDZJCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157584
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC=C)C#N	PC-id_19639308	549.75	CZAPYGNDEHNNIE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157585
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC=C)C#N	PC-id_19632828	549.75	KHISZGFVBAJMNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157586
Clc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cc2)cc1	PC-id_19678602	550.113	MZBNOOBPEHSUMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157587
CCCCOS(=O)(=O)c1cc(c2-c1ccc(cc2)C(=C)C)CCCCN(S(=O)(=O)c1ccccc1)Cl	PC-id_139605588	550.13	MWDZRPICYPDXCT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157588
Clc1c(CC2C(NC(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)NC2=O)C)cccc1	PC-id_78406949	550.133	NLESWUWEDILEIY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157589
CCCCN1C(=O)C(N(C2=C(C1=O)N(C(=N2)OC3=CC(=CC=C3)OC(F)(F)F)CC4=CC=C(C=C4)Cl)C)C	PC-id_161533873	550.159	WKZIPKJEQOMYNK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157590
CN1CC2=C(C1=O)C=CC=C2C(=O)NC3CCC(CC3)(CCN4CCC5=C(CC4)SC(=N5)OCC(F)F)F	PC-id_147029221	550.223	AXGNSCJOHWKGNC-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-157591
[Br-].Brc1ccc(C(=O)C[n+]2nc(n3c2CCCCC3)CNc2ccc(OC)cc2)cc1	CHEMBL1376142	550.286	APGWNCFSKMDEGB-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-157592
[Br-].Brc1ccc(NCc2n3c([n+](n2)CC(=O)c2ccc(OC)cc2)CCCCC3)cc1	CHEMBL1577829	550.286	MUWATOIOXTUPFQ-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-157593
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(F)cc(Br)c1	PC-id_19679879	550.303	UDEGGKUNQINOQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157594
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(F)cc(Br)c1	PC-id_19679872	550.303	BJPWVUIFIVREAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157595
COC(=O)c1c(oc(c1C(=O)OC)c1ccc(cc1)Br)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102491507	550.44	LZLSUZVCDLMOQW-UHFFFAOYSA-N	00000010101000110110100000000010000000000000000000000000	31-01-157596
Fc1ccc(nc1)Cn1c(Oc2cccc(c2)OC(F)(F)F)nc2c1[N+](=CN(C(=O)N2C)CCC1(O)CC1)[O-]	SCHEMBL18835090	550.462	ZQWQCBJRUFQNHS-UHFFFAOYSA-N	00100000100000111111000000000010000000000000000000000000	31-01-157597
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(OCC#N)c(Br)c3)sc3c2CCCCCC3)c1	ZINC22_408969051	550.51	GKXQDWMUZBEHQG-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157598
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)ccc(Cl)c1	PC-id_19639863	550.524	GDYFPRHBHMSQJT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157599
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc(Cl)cc1	PC-id_19638304	550.524	BVDWEBQUVFILEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157600
Clc1c(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)ccc(Cl)c1	PC-id_19633059	550.524	YNVRNAAZBWQUDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157601
Clc1c(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)cc(Cl)cc1	PC-id_21166986	550.524	QQQSRZHASJIIPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157602
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)C)ccc(Cl)c1	PC-id_19639738	550.524	KYKHBDVUJSXHHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157603
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)C)cc(Cl)cc1	PC-id_19638197	550.524	DWPZIHGYPHBORC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157604
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)ccc(Cl)c1	PC-id_20122901	550.524	SFZIDSLYJBCISR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157605
CC(OC(=O)C1=CN(CC(c2c1cc(o2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659795	550.567	IPKQTCNQGOETGA-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157606
CC(OC(=O)C1=CN(CC(c2c1c(co2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659801	550.567	BFEDIDYDUULOMP-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157607
CC(OC(=O)C1=CN(CC(c2c1oc(c2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659796	550.567	BXYOURSOYNTQDA-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157608
CC(OC(=O)C1=CN(CC(c2c1occ2C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659800	550.567	RQSOBBHMSNFUKS-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157609
CC(C)n1c2c(c(n1)C(F)(F)F)C(CN(C=C2C(=O)O)C(=O)c1ccc(cc1)OCCN1CCOCC1)(C)C	PC-id_137351509	550.57	LBJMWOOZMHMOBA-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157610
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1cccc(OCCN2CCOCC2)c1	BindingDB-id_731688,SCHEMBL19663585	550.57	FIERRGGVUJQCID-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157611
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(OCCN2CCOCC2)cc1	PC-id_121358833,BindingDB-id_731694,SCHEMBL17777901,SCHEMBL20575321	550.57	CANVRGKSUIIJAZ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157612
N#Cc1cccc(c1)CN1CCCn2c(C1=O)cc(n2)C(=O)NC[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C	PC-id_139696367	550.586	JRGKNMFQFCJQQQ-QFIPXVFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157613
N#C/C(=c
/s/c(=Cc2ccc(c3ccc([N+](=O)[O-])cc3)o2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609880,CoCoCo_3609881,PC-id_2314627,ZINC22_102963898	550.588	ZNPGPPZDTRSELD-QGODZWJASA-N	00000000101000110101100000000010000000000000000000000000	31-01-157614
N#C/C(=c/1s/c(=C/c2ccc(c3ccc([N+](=O)[O-])cc3)o2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	ZINC22_97981733,CoCoCo_3609882	550.588	ZNPGPPZDTRSELD-SYQJIQKSSA-N	00000000101000110101100000000010000000000000000000000000	31-01-157615
N#C/C(=c
/s/c(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	CoCoCo_3609883	550.588	ZNPGPPZDTRSELD-UZCPAMCTSA-N	00000000101000110101100000000010000000000000000000000000	31-01-157616
N#C/C(=c/1s/c(=Cc2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	GD-id_ZINC03179595,PC-id_2314629	550.588	ZNPGPPZDTRSELD-BABBJIMZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-157617
N#CC(=c1sc(=Cc2ccc(o2)c2ccc(cc2)[N+](=O)[O-])c(=O)n1c1ccccc1)c1nnc2n1CCCCC2	PC-id_4228024,EMOLS-id_300969455,MCULE-5268032022	550.588	ZNPGPPZDTRSELD-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-157618
s1/c(=C(/c2n3CCCCCc3nn2)C#N)/n(c(=O)c1=Cc1oc(cc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1	PC-id_2314628	550.588	ZNPGPPZDTRSELD-VYGHLURQSA-N	00000000101000110101100000000010000000000000000000000000	31-01-157619
Cc1nc2c(o1)c(ccc2)C(=O)N=CC1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451538	550.593	RSGUBDHGHJLFOG-QRWMCTBCSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157620
Cc1nc2c(o1)cc(cc2)C(=O)N=CC1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451946	550.593	PMBYMUBTZMYHRV-WHCXFUJUSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157621
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1ccc(cc1)OC	PC-id_141350347	550.598	PPGUPUFMZCPELV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157622
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1ccccc1OC	PC-id_141350351	550.598	GPXPNCZFWSTGKX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157623
COc1cc(ccc1OC(=O)COc1ccc(cc1)Oc1ccc(cc1)C)/C=C(/c1nnc2n1CCCCC2)C#N	CoCoCo_3733888,PC-id_6290904	550.604	XCHUBBUYXSYOEK-HKOYGPOVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157624
COc1cc(ccc1OC(=O)COc1ccc(cc1)Oc1ccc(cc1)C)C=C(c1nnc2n1CCCCC2)C#N	MCULE-5750827277,PC-id_5172150,EMOLS-id_301001976	550.604	XCHUBBUYXSYOEK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157625
COc1cc(ccc1OC(=O)COc1ccc(cc1)Oc1ccc(cc1)C)/C=C(c1nnc2n1CCCCC2)/C#N	PC-id_75408731,CoCoCo_3733889	550.604	XCHUBBUYXSYOEK-MOHJPFBDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157626
CN1Cc2c(C1=O)cccc2C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671149	550.636	VICLMFFSPFEHLO-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-157627
CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)C1=O	SCHEMBL21041519,BindingDB-id_989541	550.636	VICLMFFSPFEHLO-IYARVYRRSA-N	00000010100010100101000000001010000000000000000000000000	31-01-157628
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC)C(=O)OC	PC-id_17305845	550.641	VTCMYKWEWWEXPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157629
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)C)C(=O)OCC	PC-id_19635522	550.641	TZGIDWXMDWMLJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157630
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)C)C(=O)OC	PC-id_19635443	550.641	KSFJRBGGIQNXRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157631
CCCc1nc2c(n1Cc1ccc(c3ccccc3S(=O)(=O)Nc3onc(C)c3C)c(F)c1)C(=O)CCCC2	PC-id_17979749,BindingDB_PC-id_17979749,CHEMBL12590,SCHEMBL4764568	550.644	WJGSUHRNYRVLRY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157632
CCCc1nc2c(n1Cc1ccc(cc1)c1cc(F)ccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	SCHEMBL5531251,PC-id_20747632	550.644	DROZCESKCWVQNI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157633
CCCc1nc2c(n1Cc1ccc(cc1)c1cc(F)ccc1S(=O)(=O)Nc1onc(c1C)C)C(=O)CCCC2	PC-id_69477243,SCHEMBL5529458	550.644	MLBIFHYNMKHKHG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157634
CCCc1nc2c(n1Cc1ccc(cc1F)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	PC-id_20747630,SCHEMBL5526090	550.644	FIZAPKKFZSCMTD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157635
CCCc1nc2c(n1Cc1ccc(c(c1)F)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	PC-id_69818694,SCHEMBL6540176	550.644	MZAIDUSONBAADT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157636
CCCc1nc2c(n1Cc1ccc(cc1F)c1ccccc1S(=O)(=O)Nc1onc(c1C)C)C(=O)CCCC2	SCHEMBL5525531,PC-id_69475894	550.644	CCEAXOKQZYILFI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157637
COc1ccc(cc1)COC1(C)/C=CC(=O)OCCCCn2cc(CN(C1)Cc1ccc(cc1OC)OC)nn2	PC-id_102263695	550.646	DCPFEAAROLBGDE-YPKPFQOOSA-N	00000000100000110111000000000010000000000000000000000000	31-01-157638
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)CCCC(C)C	ZINC22_1772713231,EMOLS-id_317481130,MCULE-8327899038,PC-id_137345006	550.648	DIHRBNWLQIGOAC-YVCBRDFCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157639
CC(C)(C1CCCCCc2c1nnn2CCn1c(c(nn1)COCCN=C(N)N)CCC(=O)O)OCCON	SCHEMBL15850352,PC-id_90261499	550.654	MYBVTHHHAQEDMG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157640
Cc1sc2c(n1)cc(cc2)C(=O)N=C1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145452146	550.659	DSALKZQQPPNHPS-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157641
CCCCCCCC(=O)SCC/C=C/C1CC(=O)NCc2occ(n2)C(=O)NC(C(=O)NCC(=O)O1)(C)C	PC-id_144970255	550.668	IMPHSHOXQFNMMN-PKNBQFBNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157642
COc1ccc(cc1)N(c1cc2-c(cc(c1)N(c1cccc(c1)C)c1ccc(cc1)OC)ccc2)c1cccc(c1)C	PC-id_139606544	550.689	HSSGUDKZWYUUNQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157643
COc1ccc(cc1)N(c1cc2-c(cc(c1)N(c1ccc(cc1)OC)c1ccc(cc1)C)ccc2)c1ccc(cc1)C	PC-id_139606545	550.689	UHWLJFSLVFPRFL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157644
COc1ccc(cc1)N(c1cc(c2-c1ccccc2)N(c1cccc(c1)C)c1ccc(cc1)OC)c1cccc(c1)C	PC-id_139606574	550.689	CKXMCBWNIAEZAR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157645
COc1ccc(cc1)N(c1cc(c2-c1ccccc2)N(c1ccc(cc1)OC)c1ccc(cc1)C)c1ccc(cc1)C	PC-id_139606573	550.689	XORGGWBQVGQTNV-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157646
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1)C(=O)N	PC-id_4447390	550.692	HQVINSJHGUFCMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157647
s1c2c(CCCCC2)c(c1NC(=O)c1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)ccc1)C(=O)N	PC-id_5057038	550.692	LTAIDXLSSRYBLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157648
s1c2c(CCCCC2)c(c1NC(=O)c1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cccc1)C(=O)N	PC-id_4404102	550.692	CSHBFYSHQALPKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157649
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1c2c(n(c1)Cc1ccc(F)cc1)cccc2)C)C(=O)OCC	PC-id_4622426	550.707	IABJYHGYHNRYSP-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-157650
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1c2c(n(c1)Cc1cc(F)ccc1)cccc2)C)C(=O)OCC	PC-id_4347409	550.707	GSJLYSKSWAOOFN-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-157651
O=C(Nc1ccc(C(=O)N2CCCN(CCN3CCCC3)c3sccc23)cc1)c1ccccc1c1ccccc1	BindingDB_PC-id_11272841,PC-id_11272841,CHEMBL176146	550.714	WPUYJTITOZWSHH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-157652
CCC[C@@H](c1ccc(cc1)CC(C)C)Oc1ccc(cc1)C(=O)c1cc(c2-c1ccccc2)CCCC(=O)OCC	PC-id_139673458	550.727	ZBBAPPKMCPYHEW-DHUJRADRSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157653
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C)ccc1)CC)C(=O)OCC	PC-id_18911286	550.732	FCQKVUAWSOMGAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157654
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(ccc2)C)ccc1)CC)C(=O)OCC	PC-id_18911418	550.732	MNFXWLQBEGAWIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157655
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(cc2)C)ccc1)CC)C(=O)OCC	PC-id_18911550	550.732	YMSIVLMZRMPELM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157656
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)Cc2ccccc2)ccc1)CC)C(=O)OCC	PC-id_18911022	550.732	MXXSTRFXUFOGOD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157657
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC)ccc1)c1ccccc1)C(=O)OCC	PC-id_18909075	550.732	PBZUQNCOJJLCRL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157658
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCCC)ccc1)c1ccccc1)C(=O)OC	PC-id_18909734	550.732	JWCWSABTDHLWSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157659
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C)ccc1)CC)C(=O)OC	PC-id_18911287	550.732	RHKBYBIVGSHMEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157660
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(ccc2)C)ccc1)CC)C(=O)OC	PC-id_18911419	550.732	PZLDXIMWYDHUEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157661
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(cc2)C)ccc1)CC)C(=O)OC	PC-id_18911551	550.732	NGEFDTPGNQTPDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157662
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C)ccc1)C)C(=O)OCC	PC-id_18911222	550.732	WSWVEBJGLSMYBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157663
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(ccc2)C)ccc1)C)C(=O)OCC	PC-id_18911354	550.732	CZMHANGFWXFSTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157664
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(cc2)C)ccc1)C)C(=O)OCC	PC-id_18911486	550.732	UENUSRAEUBOKLY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157665
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)Cc2ccccc2)ccc1)CC)C(=O)OC	PC-id_18911023	550.732	XXRLXIOQMXCLQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157666
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)Cc2ccccc2)ccc1)C)C(=O)OCC	PC-id_18910958	550.732	CSRGWSSTGFRTQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157667
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC)ccc1)c1ccccc1)C(=O)OC	PC-id_18909076	550.732	CYUVTYWZGCMWSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157668
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C#CC(=O)O[C@@H](C2)/C=C(/C=C/C(=C/CN2CCCC2)/C)C)/C)C)c1	PC-id_73055279	550.752	ZGIXQGRXPLBXDX-LOOHZXAWSA-N	00000010100000000111000000000010000000000000000000000000	31-01-157669
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CC2CCCCC2)nn1)C)C(=O)OCC	PC-id_23993648	550.757	QLOUVUHVURKNFC-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-157670
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CCC2CCCC2)nn1)C)C(=O)OCC	PC-id_23959816	550.757	RCCOLWILVXGDCY-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-157671
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)CCC2CCCCC2)nn1)C(=O)OCC	PC-id_24019122	550.757	KBNRVCGEWZBYJF-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-157672
CN(CCOc1ccc(cc1)C(=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)OCCN(C)C)C	PC-id_101951159	550.773	GLZYNWFPBRQTMG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157673
CCOC(=O)c1c(NC(=O)C[C@H](c2ccc(Cl)cc2)N2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	CoCoCo_3785660,ZINC22_3305666	551.053	QLHMOFFEHJZQSU-JOCHJYFZSA-N	00000010100000110100000000001010000000000000000000000000	31-01-157674
CCOC(=O)c1c(NC(=O)C[C@@H](c2ccc(Cl)cc2)N2C(=O)c3ccccc3C2=O)sc2c1CCCCC2	CoCoCo_3785661,ZINC22_3305664	551.053	QLHMOFFEHJZQSU-QFIPXVFZSA-N	00000010100000110100000000001010000000000000000000000000	31-01-157675
CCOC(=O)c1c(NC(=O)CC(N2C(=O)c3c(C2=O)cccc3)c2ccc(cc2)Cl)sc2c1CCCCC2	PC-id_3321656,EMOLS-id_48983625,MCULE-7971272539	551.053	QLHMOFFEHJZQSU-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-157676
CCOC(=O)N1CCc2nc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)sc2CC1	PC-id_118713254,CHEMBL3330855,BindingDB_PC-id_118713254	551.081	HXGQKWZYAPYLDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157677
Clc1ccc(C(=O)Nc2sc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)cc1	PC-id_24128259	551.101	ZZIPYFJOJKFRCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157678
Clc1cc(C(=O)Nc2sc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)ccc1	PC-id_24045375	551.101	BCEGCWSJSJTGMJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157679
Clc1c(C(=O)Nc2sc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)cccc1	PC-id_24043862	551.101	KBVQTTIISULMLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157680
COC(=O)NCCCCn1cc(c2c1C=C(CCC=C2)CNC(=O)CC1OCCN(C1)COC(C)(C)C)Cl	SCHEMBL18509142	551.118	MHQZEFOTCBIVBV-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-157681
C/C(=C(C=C(NC(=O)[C@H]1CCC[C@H](C1)NC(=O)C)/N=C)/c1c2CCCCCn2nc1)/[I]=C	PC-id_163582170	551.176	GILYPFYBYKRJFB-SFYPVJMXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-157682
CC1CCC(C1NS(=O)(=O)C2=C3C=CCCCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278735	551.227	FVJGJRKDDTVMMM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157683
Ic1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(C)C)C(=O)O	PC-id_19914772,SCHEMBL9626915	551.437	SUWNRCMGTCFEOG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157684
Brc1ccc(CC2C(N(S(=O)(=O)c3ccc(OC)cc3)CCc3sccc23)C(=O)NO)cc1	PC-id_76443803	551.473	ADIFJFHYZCNDSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157685
Brc1ccc(C[C@@H]2[C@H](N(S(=O)(=O)c3ccc(OC)cc3)CCc3sccc23)C(=O)NO)cc1	PC-id_57016021	551.473	ADIFJFHYZCNDSS-UNMCSNQZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157686
Brc1oc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_19724882	551.476	FTMHFYBVKUSQTJ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-157687
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn(Cc2ccc(F)cc2)c1	PC-id_20172921	551.495	WXAXEHVXEGRULA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157688
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn(Cc2c(F)cccc2)c1	PC-id_20172554	551.495	XJZHTYJNBYWTOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157689
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nn(Cc2ccc(F)cc2)c1	PC-id_20172914	551.495	NOBQICQKHKFSDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157690
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nn(Cc2c(F)cccc2)c1	PC-id_20172547	551.495	NYOFQDVCWKWQON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157691
C#CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_409019099	551.495	VTJZZQYKBCYZIZ-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157692
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)ccc(Cl)c1	PC-id_19729026	551.508	ZHTBGPFAQWXOLC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157693
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)ccc1Cl	PC-id_19729305	551.508	ZWRPZXBDUKFSJC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157694
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(c4cccc(Cl)c4Cl)o3)sc3c2CCCCCC3)c1	ZINC22_409012444	551.527	IDJISAUXNJQEKX-ATZGPIRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157695
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(c4cccc(Cl)c4Cl)o3)sc3c2CCCCCC3)c1	ZINC22_409019962	551.527	YJPFSBKEXDCYMB-ATZGPIRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157696
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(c4ccc(Cl)cc4Cl)o3)sc3c2CCCCCC3)c1	ZINC22_409019066	551.527	VPZPJPVPZBNTIX-ATZGPIRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157697
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(c4ccc(Cl)cc4Cl)o3)sc3c2CCCCCC3)c1	ZINC22_409019797	551.527	XGZDOSNMTBLQED-ATZGPIRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157698
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(c4cc(Cl)ccc4Cl)o3)sc3c2CCCCCC3)c1	ZINC22_409015299	551.527	ONUANLLWNOBGDL-ATZGPIRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157699
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(c4cc(Cl)ccc4Cl)o3)sc3c2CCCCCC3)c1	ZINC22_409019028	551.527	VIOGOOYIJRTMDM-ATZGPIRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157700
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(c4cccc(Cl)c4Cl)o3)sc3c2CCCCCC3)c1C	ZINC22_409012432	551.527	IBGOSZGCAAVTJD-ATZGPIRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157701
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(c4ccc(Cl)cc4Cl)o3)sc3c2CCCCCC3)c1C	ZINC22_409015285	551.527	OLYZMIJGMXGAJW-ATZGPIRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157702
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(c4cc(Cl)ccc4Cl)o3)sc3c2CCCCCC3)c1C	ZINC22_409011926	551.527	GUCJCTJCZNOGFB-ATZGPIRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157703
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(c4cccc(Cl)c4Cl)o3)sc3c2CCCCCC3)cc1C	ZINC22_409014704	551.527	NUFLLWVMEWJRMU-ATZGPIRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157704
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(c4ccc(Cl)cc4Cl)o3)sc3c2CCCCCC3)cc1C	ZINC22_409011555	551.527	GGSGDBVLPNJKHB-ATZGPIRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157705
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(c4cc(Cl)ccc4Cl)o3)sc3c2CCCCCC3)cc1C	ZINC22_409020207	551.527	ZVCPMVSPKSDZAL-ATZGPIRCSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157706
Brc1ccccc1OCc1cccc(c1)C(=O)Nc1sc2CCCCCCCCCCc2c1C#N	MCULE-9792412464,SPECS-id_AK-968/41171603,TIMTEC434366,EMOLS-id_5120961,PC-id_4134174,CoCoCo_6926322,ZINC22_8454961	551.538	RSJZHHNKUGPVNX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157707
Brc1ccccc1OCc1ccc(cc1)C(=O)Nc1sc2CCCCCCCCCCc2c1C#N	SPECS-id_AK-968/41170903,ZINC22_2111877,CoCoCo_6926217,PC-id_1766750,EMOLS-id_5120751,TIMTEC136098,MCULE-2198931555	551.538	DXNYNKXSEAYUPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157708
Brc1ccc(OCc2ccc(cc2)C(=O)Nc2sc3CCCCCCCCCCc3c2C#N)cc1	CoCoCo_6576750,EMOLS-id_5120893,MCULE-4060057584,SPECS-id_AK-968/41171475,TIMTEC569513,ZINC22_2112320,PC-id_1767214	551.538	YGZABQPANUEDSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157709
Brc1ccc(OCc2cccc(c2)C(=O)Nc2sc3CCCCCCCCCCc3c2C#N)cc1	EMOLS-id_5121289,PC-id_1768098,SPECS-id_AK-968/41924732,TIMTEC220199,MCULE-3291578866,CoCoCo_6927461,ZINC22_2113167	551.538	INKIWPBHVPORSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157710
C=CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1Br	ZINC22_408970540	551.538	BCVOEVWYYLSGMV-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157711
Clc1cc(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)c2C)C)ccc1Cl	PC-id_19677767	551.551	PFTKPZYTYPYWTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157712
Clc1cc(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)c2C)C)ccc1Cl	PC-id_19677760	551.551	RCSJZXVAQQYOEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157713
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)c2C)C)ccc(Cl)c1	PC-id_19677861	551.551	ZYVJHYMIJOXTBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157714
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)c2C)C)c(Cl)ccc1	PC-id_19679323	551.551	AUHPWRWJBXFJNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157715
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)c2C)C)ccc(Cl)c1	PC-id_19677854	551.551	SLOLECHXKAFPFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157716
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)c2C)C)c(Cl)ccc1	PC-id_19679316	551.551	BOIOHUBRAAYFHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157717
CC(OC(=O)C1=CN(CC(c2c1c(no2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659628	551.555	RKNNATCYLVCRIY-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157718
CC(OC(=O)C1=CN(CC(c2c1c(no2)C(F)(F)F)(C)C)C(=O)c1cccc(c1)OCCN1CCOCC1)C	SCHEMBL19659630	551.555	YOZWJJVVAXORFS-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157719
CC(OC(=O)C1=CN(CC(c2c1nc(o2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659622	551.555	HSKMNSUKKIIECC-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157720
CC(OC(=O)C1=CN(CC(c2c1oc(n2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659629	551.555	BRFGXHMXQCQQKE-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157721
CC(OC(=O)C1=CN(CC(c2c1onc2C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659949	551.555	YAYRSECVGQQFHP-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157722
CCC(=CC(=Cc1ccccc1C)c1c2C(CCC(=C(C(=N)n2nc1)Br)C(C)N1CCOCC1)C)C	PC-id_90830863	551.561	XHQQPTVMFPWAQV-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157723
FC(F)(F)C(=O)NCCCCC1NC(=O)C(n2nnc(C(NC(=O)C(NC1=O)CC)Cc1ccccc1)c2)C	PC-id_75252875	551.561	MHKSTBRFMBHTMS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157724
FC(F)(F)C(=O)NCCCC[C@@H]1NC(=O)[C@H](n2nnc([C@@H](NC(=O)[C@@H](NC1=O)CC)Cc1ccccc1)c2)C	PC-id_46915303	551.561	MHKSTBRFMBHTMS-BVBHFADKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157725
Fc1ccc(CN2C[C@@H](NC(=O)c3nn(cc23)CCc2ccccc2)COC(=O)c2c3c(n(c2)C)cccc3)cc1	PC-id_45486084	551.611	NUPRTLYEAIVDEQ-RUZDIDTESA-N	00000000100000110101000001100010000000000000000000000000	31-01-157726
Fc1ccc(CN2CC(NC(=O)c3nn(cc23)CCc2ccccc2)COC(=O)c2c3c(n(c2)C)cccc3)cc1	PC-id_75116414	551.611	NUPRTLYEAIVDEQ-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-157727
Fc1c(CN2C[C@@H](NC(=O)c3nn(cc23)CCc2ccccc2)COC(=O)c2c3c(n(c2)C)cccc3)cccc1	PC-id_45486090,GD-id_ZINC49722658	551.611	XTPNIJGZNFYSNJ-XMMPIXPASA-N	00000000100000110101000001100010000000000000000000000000	31-01-157728
Fc1c(CN2CC(NC(=O)c3nn(cc23)CCc2ccccc2)COC(=O)c2c3c(n(c2)C)cccc3)cccc1	PC-id_75116420	551.611	XTPNIJGZNFYSNJ-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-157729
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OCc2ccc(F)cc2)cc1)C)C(=O)OCC	PC-id_19661099	551.629	LOSPZDYDGICGDO-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-157730
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OCc2ccc(F)cc2)cc1)C)C(=O)OCC	PC-id_73635542	551.629	LOSPZDYDGICGDO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157731
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OCc2c(F)cccc2)cc1)C)C(=O)OCC	PC-id_3296823	551.629	PTEUZBQVBQHCLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157732
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OCc2c(F)cccc2)cc1)C)C(=O)OCC	PC-id_9663264	551.629	PTEUZBQVBQHCLU-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-157733
OC(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccn2C	PC-id_139750523	551.632	GEIVXSQHBFLZIN-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-157734
O=C1NC(C(=O)NC(COCc2nnn(CCCC(N)C(=O)CC1(C)C)c2)C(=O)NC(C)(C)C(=O)OC)(C)C	PC-id_76799690	551.636	HKNOELFYYKCOMC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157735
O=C1NC(C(=O)N[C@@H](COCc2nnn(CCC[C@H](N)C(=O)CC1(C)C)c2)C(=O)NC(C)(C)C(=O)OC)(C)C	PC-id_58481720	551.636	HKNOELFYYKCOMC-IRXDYDNUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157736
C[C@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@H]1CN(C)C(=O)Nc1cc(ccc1)Oc1ccccn1)nn2)C	PC-id_134828916	551.637	ZOWZWKIVNJHSPZ-BKSPAHHJSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157737
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	PC-id_75036385	551.637	GHLJLHKVBJDFKH-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157738
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	CHEBI:112601,PC-id_44488695	551.637	WYPGSQIBOYUSAK-OTPAQWSUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157739
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	CHEBI:95556,PC-id_44488694	551.637	WYPGSQIBOYUSAK-BKSPAHHJSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157740
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	PC-id_44485061,CHEBI:96047	551.637	WYPGSQIBOYUSAK-STWLZBDKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157741
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	PC-id_44485749,CHEBI:95677	551.637	WYPGSQIBOYUSAK-DNRQZRRGSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157742
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	PC-id_44486354,CHEBI:95883	551.637	WYPGSQIBOYUSAK-BPYKYCOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157743
Cc1csc2c1N(CCCC2N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C)OC(=O)OC(C)C	PC-id_87725659,SCHEMBL4768816	552.53	KVYKCRHPGOGIRX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157795
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	PC-id_44486355,CHEBI:95954	551.637	WYPGSQIBOYUSAK-WATLYSKOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157744
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	PC-id_44486960,CHEBI:95543	551.637	WYPGSQIBOYUSAK-CZSZKKDXSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157745
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	PC-id_44487414,CHEBI:96810	551.637	WYPGSQIBOYUSAK-TYBLODHISA-N	00000000100000111101000000000010000000000000000000000000	31-01-157746
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	CHEBI:112555,PC-id_44505591,CHEMBL1876624	551.637	GHLJLHKVBJDFKH-CZSZKKDXSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157747
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	CHEBI:112635,PC-id_44505786	551.637	GHLJLHKVBJDFKH-OTPAQWSUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157748
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	CHEBI:112638,PC-id_44505583	551.637	GHLJLHKVBJDFKH-BKSPAHHJSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157749
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	PC-id_44505584,CHEBI:96789	551.637	GHLJLHKVBJDFKH-DNRQZRRGSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157750
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	PC-id_44505586,CHEBI:103775	551.637	GHLJLHKVBJDFKH-WATLYSKOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157751
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	PC-id_44505588,CHEBI:96992	551.637	GHLJLHKVBJDFKH-TYBLODHISA-N	00000000100000111101000000000010000000000000000000000000	31-01-157752
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	PC-id_44506005,CHEBI:112561	551.637	GHLJLHKVBJDFKH-STWLZBDKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157753
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1cc(Oc2ncccc2)ccc1	PC-id_44506006,CHEBI:96769	551.637	GHLJLHKVBJDFKH-BPYKYCOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-157754
C1N(CCC(C(=O)OCC)C1)C(=O)CCN(C(C)CC)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O	EMOLS-id_25387288,PC-id_46049658,MCULE-2555831863	551.677	NDSUQHIYXGUIGD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157755
CCOC(=O)C1CCCN(C1)C(=O)CCN(C(C)CC)C(=O)c1cc2C(=O)N(Cc3ccccc3)CCCn2n1	MCULE-4513877287,EMOLS-id_25387552,PC-id_46049660	551.677	RBYHDVWIIBWLTJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157756
CCOC(=O)C1CCN(CC1)C(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)[C@@H](CC)C	PC-id_98413608	551.677	NDSUQHIYXGUIGD-JOCHJYFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157757
CCOC(=O)C1CCN(CC1)C(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)[C@H](CC)C	PC-id_98413610	551.677	NDSUQHIYXGUIGD-QFIPXVFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157758
CCOC(=O)[C@H]1CCCN(C1)C(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)[C@@H](CC)C	PC-id_98416705	551.677	RBYHDVWIIBWLTJ-VWNXMTODSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157759
CCOC(=O)[C@H]1CCCN(C1)C(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)[C@H](CC)C	PC-id_98416706	551.677	RBYHDVWIIBWLTJ-UPVQGACJSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157760
CCOC(=O)[C@@H]1CCCN(C1)C(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)[C@@H](CC)C	PC-id_98416707	551.677	RBYHDVWIIBWLTJ-ISKFKSNPSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157761
CCOC(=O)[C@@H]1CCCN(C1)C(=O)CCN(C(=O)c1nn2c(c1)C(=O)N(CCC2)Cc1ccccc1)[C@H](CC)C	PC-id_98416708	551.677	RBYHDVWIIBWLTJ-LADGPHEKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157762
O(C(=O)C1CCN(CC1)C(=O)CCN(CC(C)C)C(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccccc1)CC	PC-id_46049617	551.677	QRCZOQLKVVJIMM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157763
NCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL14980371,PC-id_60151361	551.679	FQWGNRNMTSMKSI-FDOMUAOQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157764
S(CCC=CC1OC(=O)C(NC(=O)C(=CC)NC(=O)c2nc(sc2)CNC(=O)C1)C(C)C)C(=O)CCN	PC-id_72664752	551.679	FQWGNRNMTSMKSI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157765
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)C1CC1	ZINC22_1772713313,EMOLS-id_317503137,PC-id_137343676,MCULE-6010968595	551.68	JEBDHMGNHVIDFA-BVAGGSTKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-157766
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(nc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)C(=O)N	PC-id_4417396	551.68	CHNQPJOWPGCOHA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-157767
s1c2c(CCCCC2)c(c1NC(=O)c1nc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)ccc1)C(=O)N	PC-id_4088701	551.68	NKOOODCWEPGXTA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-157768
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1ccsc1)C#N)C(=O)OCC	PC-id_23804430	551.703	PSTHDEYEQPJLEZ-UHFFFAOYSA-N	00000000100100101100100000000010000000000000000000000000	31-01-157769
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1sccc1)C#N)C(=O)OCC	PC-id_23804429	551.703	XXYRSLPQEVRIOJ-UHFFFAOYSA-N	00000000100100101100100000000010000000000000000000000000	31-01-157770
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1ccsc1)C#N)C(=O)OC	PC-id_24165396	551.703	FMTGUCDFLRDSRD-UHFFFAOYSA-N	00000000100100101100100000000010000000000000000000000000	31-01-157771
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1sccc1)C#N)C(=O)OC	PC-id_23775354	551.703	VNLUZZQRRXFUOH-UHFFFAOYSA-N	00000000100100101100100000000010000000000000000000000000	31-01-157772
O=C(N1CCCN(c2c1ccs2)CC[NH+]1CCCC1)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	GLL_PC-id_11272841,GD-id_ZINC03937015	551.722	WPUYJTITOZWSHH-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-157773
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)CCCCCCN1CCCc2c(C1=O)cc(s2)C	PC-id_21695291,SCHEMBL9039940	551.733	IEUUSKBGWXCSCH-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157774
S(=O)(=O)(N1CCN(CC1)C(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC)c1ccc(OC)cc1	PC-id_19711686	551.742	IHMDLWZXJIFHPQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157775
C=CN=C1N/C(=C/C=C(/OCC(=O)N2CCCCC2)C(=C)CN(C)C/C=C/COCc2sc(/C(=N/1)/C)cc2)/C	PC-id_143464490	551.743	FQABLZMNFHYKRS-OWNFQIQRSA-N	00000000100010000111000000000010000000000000000000000000	31-01-157776
O=CCN(Sc1[nH]c2c(c1)CC=CC=CC2)CCN(Cc1ccc(cc1)C(=N)N1CCC(CC1)(O)OCC)C	PC-id_142132234	551.743	DBQLRSUUONPPHH-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-157777
CCS(=O)(=O)c1ccc(nc1)CNC(=O)c1cc2c(s1)CCCN(CCCO[C@H](C2)C)COC(C)(C)C	SCHEMBL18648222	551.762	QEEKNVXQKJMPSA-FQEVSTJZSA-N	00000000100000101101000000000010000000000000000000000000	31-01-157778
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC)C#N	PC-id_19639505	551.766	LLSNMIOPROAAJZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157779
S(C1=NC(CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCNC(=O)OC(C)(C)C)CCC(=O)OCC	PC-id_75217861	551.785	QHRGDJTVJDBZFP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-157780
S(C1=N[C@H](CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCNC(=O)OC(C)(C)C)CCC(=O)OCC	PC-id_46840992	551.785	QHRGDJTVJDBZFP-QFIPXVFZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-157781
O=C1CCCc2c(N1CCO[Si](C(C)(C)C)(C)C)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1	PC-id_69568269,SCHEMBL5794280	551.794	URONEQAKGJHAKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157782
CCSc1c2-c(c(ccc(c2)C(C)C)C)c(c1)C=Cc1cc(c2-c1c(ccc(c2)C(C)C)C)C=[N+](C(C)(C)C)[O-]	PC-id_88955523	551.824	QAVCFXCGFMIKPR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-157783
CCSc1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(C)(C)C)[O-]	SCHEMBL12743809	551.824	QAVCFXCGFMIKPR-FJTKSLMJSA-N	00000010100000000110000000000010000000000000000000000000	31-01-157784
O1C(C(OCCOCc2nc([nH]n2)COCC1)CCCCCCCCCCC)CCCCCCCCCCC	PC-id_21811798	551.844	QTECIBUNFZTVDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157785
Clc1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cc2)cc1	PC-id_20167436	552.089	XZNIBKUVSKOZFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157786
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)C	PC-id_5079419	552.129	HNDONMAWKZWSAV-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157787
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)n(c2cc1)CC	PC-id_4448050	552.129	OTWDQMLTCVKACX-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157788
CC(C)CC(C(=O)CC1CN2C=C(CCNC(=O)C1=O)N=C2)NC(=O)C(CC(=O)OCC3=CC=CC=C3)C(C)C	PC-id_160331951	552.295	PWUYRFBINBOMNL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157789
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C#N	PC-id_4448973	552.353	BFMAMYYNAJSBGV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-157790
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)N	PC-id_3305269	552.378	BTHHWSGFRRQNCD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-157791
CC(C)CCn1c2c(CC(C(=O)C(=CC2=O)CCCO)I)nc1Oc1cc(ccc1)OC	PC-id_135268707,SCHEMBL20431861	552.402	HNFILBJVRMPPMU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-157792
BrC1=CC(=CNNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)C=C(OCC)C1=O	PC-id_19658239	552.438	PNTCKQYESYBVMN-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-157793
CCOc1c(c(cc(c1)/C=N/NC(=O)C(=O)Nc1c(c2c(s1)CCCCC2)C(=O)OCC)Br)O	PC-id_135833132	552.438	HVXWJNSKZUSOLT-BRJLIKDPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157794
CN1Cc2c(C1=O)cccc2C(=O)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670778,SCHEMBL21041128	552.609	OTJFAGWYYMFSPB-DLBZAZTESA-N	00000010100010100101000000001010000000000000000000000000	31-01-157796
COC(=O)C(NC(=O)[C@@H]1COCc2nnn(c2)CCC[C@@H](C(=O)NC(C(=O)NC(C(=O)N1)(C)C)(C)C)N)(C)C	SCHEMBL12240617,PC-id_51353757	552.624	RTOLIYUBQLROFP-HOTGVXAUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157797
O1CC(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCn2nnc(C1)c2)(C)C)(C)C)C(=O)NC(C)(C)C(=O)OC	PC-id_75630344	552.624	RTOLIYUBQLROFP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157798
O=C1CC(C(=O)NC(C(=O)NC(COCc2nnn(CCCC1[NH3+])c2)C(=O)NC(C)(C)C(=O)OC)(C)C)(C)C	PC-id_76799689	552.644	HKNOELFYYKCOMC-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-157799
O=C1CC(C(=O)NC(C(=O)N[C@@H](COCc2nnn(CCC[C@@H]1[NH3+])c2)C(=O)NC(C)(C)C(=O)OC)(C)C)(C)C	PC-id_58481719	552.644	HKNOELFYYKCOMC-IRXDYDNUSA-O	00000000100000000101000000000010000000000000000000000000	31-01-157800
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)C)C(=O)OC	PC-id_18897563	552.662	GEIRHOOWPZRFPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157801
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)C(=O)OCC	PC-id_18897597	552.662	SXZJEPVVYCHWIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157802
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)C(=O)OC	PC-id_18897598	552.662	ARYYTMRRBXEIQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157803
N#CCc1ccc(cc1)OCC(=O)NCC(Cc1c[nH]c2c1C=CC=CC2)CN(C(=O)C)Cc1ccccc1OC	PC-id_141941446	552.663	QXMHQRBGNSZDFI-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-157804
OCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL14980375	552.663	ZDWGYIRXNNQSNJ-FDOMUAOQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157805
s1c2nc(C(=O)NC(=CC)C(=O)NC(C(C)C)C(=O)OC(CC(=O)NC2)C=CCCSC(=O)CCO)c1	PC-id_72664710	552.663	ZDWGYIRXNNQSNJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157806
s1c2nc(C(=O)NC(=CC)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H](CC(=O)NC2)/C=C/CCSC(=O)CCO)c1	PC-id_60151228	552.663	ZDWGYIRXNNQSNJ-RQGWDGCOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157807
Cc1nc2c(s1)cc(cc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671942	552.675	LBBQREVIGKTIJW-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157808
Cc1nc2c(s1)cc(cc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21042367	552.675	LBBQREVIGKTIJW-UAPYVXQJSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157809
Cc1sc2c(n1)cc(cc2)C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670728	552.675	PCJMSQCXMVLLPH-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157810
Cc1sc2c(n1)cc(cc2)C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041072	552.675	PCJMSQCXMVLLPH-UAPYVXQJSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157811
s1c2N(CCCN(c2cc1C=O)C(=O)c1ccc(NC(=O)c2c(c3ccccc3)cccc2)cc1)CCN(C)C	PC-id_10840453	552.686	SAFNNPLUHNPVQX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157812
CC1CCC(CC1)OS(=O)NC(C(=O)O)CNC(=O)c1nn2c(c1)C(=O)N(CCC2)CCC1CCNCC1	PC-id_145812681	552.687	JJKFZTURKCEJEB-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-157813
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(OC)cc2)ccc1)CC)C(=O)OC	PC-id_18909965	552.705	NQGRKFOIEGWLJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157814
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(OC)cc2)ccc1)C)C(=O)OCC	PC-id_18909900	552.705	XOZYUGZYNXKOEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157815
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)ccc2)ccc1)CC)C(=O)OC	PC-id_18909833	552.705	WWKWCGZPFSTCQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157816
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)ccc2)ccc1)C)C(=O)OCC	PC-id_18909768	552.705	KSXHQHMAKORYCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157817
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)COc2ccccc2)ccc1)CC)C(=O)OC	PC-id_18910889	552.705	QEWWAQRVKWGJPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157818
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)COc2ccccc2)ccc1)C)C(=O)OCC	PC-id_18910824	552.705	KHQBAUDJUDZNOO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157819
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(OC)cc2)ccc1)C)C(=O)OC	PC-id_18909901	552.705	IYASLOWVPWPOKS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157820
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc(OC)cc2)ccc1)C(=O)OCC	PC-id_18909935	552.705	PRAFBFDMJCXPET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157821
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)ccc2)ccc1)C)C(=O)OC	PC-id_18909769	552.705	FAHZLWGMOKDCQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157822
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc(OC)ccc2)ccc1)C(=O)OCC	PC-id_18909803	552.705	DZXQLBCLSPNZKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157823
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)COc2ccccc2)ccc1)C)C(=O)OC	PC-id_18910825	552.705	WBYQRVRNKZJKPC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157824
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)COc2ccccc2)ccc1)C(=O)OCC	PC-id_18910859	552.705	MPTPEAPPOLTUMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157825
C/C=CC1=C(C)Nc2c(CN1C(=O)c1ccc(c(c1)F)OCCCN1CCN(CC1)CCC(C)(C)C)cnn2C	PC-id_143188935	552.726	CANTZXSKWKTDKJ-CLFYSBASSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157826
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccc(C)cc1	ZINC22_408970395	552.726	HEOSGRLLMQRFIY-FADJLKOXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157827
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1cccc(C)c1	ZINC22_408971600	552.726	JYOQZPJNDREDGE-FADJLKOXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157828
COc1ccc(COc2ccc(/C=N/c3sc4c(c3C(=O)Nc3cc(C)ccc3C)CCCCCC4)cc2)cc1	ZINC22_408969195	552.726	IXECKEXIPRTGPO-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157829
CN1CCCc2c(C1)sc(n2)C(=O)N[C@@H]1CN(CC[C@@H]1NC(=O)/C(=C/c1cccc(c1)C)/N)C(=O)C(C)(C)C	PC-id_142197813	552.731	ZCILQARRWRHFBN-HVXKGIIYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157830
C/C=CC=C/C(=C)CC1=C(C#N)CC(=Nc2n1nc(c2CC)NC1=CC=C(C=CC1)O/C(=C/C=NC)/C=C)SC	PC-id_143056959	552.733	OMYPNMGTZDGHPI-RCWAWLDWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-157831
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCCC)CCCCC	PC-id_19102928,SCHEMBL9337323	552.746	JPTAOJPWEFCUGI-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-157832
CCCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCC)CCCC	PC-id_19102911,SCHEMBL9339193	552.746	OGWSQGOTGOFTRS-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-157833
O=c1c(cc2n(c(nc2cc1CCCC)CCCCCC)Cc1c(c(ccc1)c1ccccc1)C(=O)O)CCCC	PC-id_19822338	552.746	SSWYCRQOUQXCNK-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-157834
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC=C)C(=O)OCC	PC-id_17269368	552.751	KMXFHCWRCCIUGQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157835
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(C(C)(C)C)cc1)CC=C)C(=O)OC	PC-id_20124835	552.751	UKKXCAADIKYZRF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157836
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C=CC(=O)O[C@@H](C2)/C=C(/C=C/C(=C/CN2CCCC2)/C)C)/C)C)c1	PC-id_73054990	552.768	UAFBHVRWQHSVGB-NUMGXWOCSA-N	00000010100000000111000000000010000000000000000000000000	31-01-157837
CCc1c(sc2c1C(=NC=C(CC2)C)Nc1c(nccc1)OC1CCOCC1)C(=O)CCCCCCNCC	PC-id_91414343	552.771	SXDOVFKBWLEFAV-UHFFFAOYSA-N	00000000100010101110000000000010000000000000000000000000	31-01-157838
CC(c1ccc(c2-c(c1)c(C)cc2C(C(c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1[nH]ccc1)c1[nH]ccc1)C)C	PC-id_101760692	552.791	LBONPVULUWRGER-UHFFFAOYSA-N	00000010110000000110000000000010000000000000000000000000	31-01-157839
CC(c1ccc(c2-c(c1)c(C)cc2[C@@H]([C@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1[nH]ccc1)c1[nH]ccc1)C)C	PC-id_101770737	552.791	LBONPVULUWRGER-XRSDMRJBSA-N	00000010110000000110000000000010000000000000000000000000	31-01-157840
CC(c1ccc(c2-c(c1)c(C)cc2[C@H]([C@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1[nH]ccc1)c1[nH]ccc1)C)C	PC-id_101770742	552.791	LBONPVULUWRGER-LQDDJWCHSA-N	00000010110000000110000000000010000000000000000000000000	31-01-157841
CCC1CC(=CC(=C(C1=O)CN1CCCc2c(C1=O)c(C)c(s2)[C@@H](C1CCN(CC1)CC(CC)(C)C)C)C)C	PC-id_145396287	552.854	SEBPBPYPWDYIMR-RMVMEJTISA-N	00000000100010000110000000000010000000000000000000000000	31-01-157842
COCCCN1CC(=O)N(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)OC(F)(F)F)C	PC-id_139466904,SCHEMBL21332540	552.93	FSAZBCFXENKHNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157843
OCCCN1C(=O)C(C)N(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)OC(F)(F)F)C	PC-id_139478313,SCHEMBL21344990	552.93	QCZKCOMDPZZZOO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157844
S1CCCSC2=C1SC(=CC1=CSC(=CC=C3SC4=C(SCCCS4)S3)S1)S2	PC-id_11114352	552.97	IGLDGTMVJVYVFD-UHFFFAOYSA-N	00000011000000000111000000000010000000000000000000000000	31-01-157845
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)ccc1F	PC-id_21164653	553.069	YTEVWMGBDYDOHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157846
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)ccc1F	PC-id_21164691	553.069	IVWBUUNFYQNJIT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157847
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)ccc1F	PC-id_17304298	553.069	OMGFGIXYWLBNQG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157848
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)ccc(F)c1	PC-id_19633907	553.069	RUPAQSNILCRNFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157849
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)C)ccc(F)c1	PC-id_17307102	553.069	DHDGPPUTBASVRZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157850
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)ccc(F)c1	PC-id_19633947	553.069	AVBMTJZLMYTRSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157851
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)ccc(F)c1	PC-id_19633844	553.069	GYKONMVICHSPKP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157852
Clc1ccc(cc1)S(=O)(=O)NCCCCc1cc(c2-c1ccc(cc2)C(CNS(=O)(=O)C)C)C(=O)O	PC-id_139605606	553.091	SFECVMLFTQQWHQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157853
CC1=C(SC2=C1SC[C@@H](C(=O)N2C)NC(=O)C3=NN=C(C3)CC4=CC=CC=C4)C#CC5=CN=C6N5N=CC=C6	PC-id_164113212	553.135	WWJRDPHVZVALMF-QFIPXVFZSA-N	00000011100000110101000001000010000000000000000000000000	31-01-157854
Clc1ccc(Cn2c3c(c(SCC(=O)Nc4sc5c(CCCCC5)c4C(=O)OCC)c2)cccc3)cc1	PC-id_5074367	553.135	HWLQYJBEQQQOTO-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-157855
Clc1c(Cn2c3c(c(SCC(=O)Nc4sc5c(CCCCC5)c4C(=O)OCC)c2)cccc3)cccc1	PC-id_4086115	553.135	CUQATJSMJJSICK-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-157856
Cc1cc(c(c(=O)[nH]1)CN1CCCc2c(C1=O)c(c(s2)C(C)C1CCN(CC1)Cc1ncc(cc1)Cl)C)C	PC-id_134587832,SCHEMBL20240367	553.158	QRLWNJBFLREIAS-UHFFFAOYSA-N	00000000100010101100000000000010000000000000000000000000	31-01-157857
CCSCC[C@@](C(=O)N1CCCN2C(=CC(=N2)C(=O)O)C1)(N)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F	PC-id_151265181	553.158	NVEJNCOBWIVARC-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157858
Clc1ccc(nc1)CN1CCC(CC1)[C@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL18362999	553.158	QRLWNJBFLREIAS-HXUWFJFHSA-N	00000000100010101100000000000010000000000000000000000000	31-01-157859
CC1=NC2=C(S1)C=CC(=C2)C(=O)C[C@H]3CC[C@@H](OC3)CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F	PC-id_160427865	553.168	QIRRTRZYRVJCDD-IEBWSBKVSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157860
CC(C)C1C(=O)OC(CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N1)(C)C)C=CCCSC(=O)C(C)N	PC-id_148650530	553.203	NLVDYTYCQTZOSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157861
CC(C)OC(C1=CN(CC(C2=C1OC(=N2)C(F)(F)F)(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCOCC4)O	PC-id_155203692	553.24	KONGIAWTFJDEQA-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157862
CC1CCC(C1NS(=O)(=O)C2=C3CCCCCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278710	553.242	QFRTVGNXAFRUSN-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-157863
CC(C)CC(C(=O)CC1CC2=NC=C(O2)CCNC(=O)C1=O)NC(=O)C(CC(=O)OCC3=CC=CC=C3)C(C)C	PC-id_160871651	553.279	SLVKQIZNDDLGLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157864
C[C@H]1C(=O)N[C@@H](C2=NC(=NN2CCN(CCCC(=O)N1C)C(=O)CCC3=NC4=CC=CC=C4S3)C)CC(C)C	PC-id_165418422	553.284	QSFZLTOABZKDKX-SIKLNZKXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-157865
CC(C)CC(C(=O)CC1CC2=CN(CCNC(=O)C1=O)N=N2)NC(=O)C(CC(=O)OCC3=CC=CC=C3)C(C)C	PC-id_153240574	553.29	WRJHCRITFCNMSP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157866
CC(C)CC(C(=O)CC1CC2=NN(CCNC(=O)C1=O)C=N2)NC(=O)C(CC(=O)OCC3=CC=CC=C3)C(C)C	PC-id_161108397	553.29	UJJHKHIZBFINCI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157867
CC(C)CC(C(=O)CC1CC2=NN(CCNC(=O)C1=O)N=C2)NC(=O)C(CC(=O)OCC3=CC=CC=C3)C(C)C	PC-id_152865450	553.29	TYJJQLFMKCTJNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157868
CC(C)CC(C(=O)CC1CN2C=C(CCNC(=O)C1=O)N=N2)NC(=O)C(CC(=O)OCC3=CC=CC=C3)C(C)C	PC-id_160426415	553.29	QIMXSRAYTDVDNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157869
CC(C)CC(C(=O)CC1CN2N=CC(=N2)CCNC(=O)C1=O)NC(=O)C(CC(=O)OCC3=CC=CC=C3)C(C)C	PC-id_149337597	553.29	YDNZDVLKARDZJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157870
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CCCOC(=O)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C	PC-id_146955287	553.29	AJMXBLXXHBUTAX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157871
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C	PC-id_155171387	553.326	HFRQPFSZBYDGCR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157872
s1c2c(CCCCC2)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_3290682	553.362	XQRWXHZLFKKEFI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-157873
COC(=O)c1c(N[C@@](NC(=O)c2ccc(Cl)cc2Cl)(C(=O)OC)C(F)(F)F)sc2c1CCCCC2	ZINC22_2604585	553.379	HRYGFFSTTIDLJE-NRFANRHFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157874
COC(=O)c1c(N[C@](NC(=O)c2ccc(Cl)cc2Cl)(C(=O)OC)C(F)(F)F)sc2c1CCCCC2	ZINC22_2604586	553.379	HRYGFFSTTIDLJE-OAQYLSRUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157875
COC(=O)c1c(NC(NC(=O)c2ccc(Cl)cc2Cl)(C(=O)OC)C(F)(F)F)sc2CCCCCc12	STOCK7S-64592,MCULE-6003790717,PC-id_5194500,TIMTEC200708,EMOLS-id_6366734	553.379	HRYGFFSTTIDLJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157876
Brc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC)C	PC-id_20176671	553.459	GCNMWTLUTFZEIC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157877
Brc1oc(c2n(CCC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)cc1	PC-id_19725037	553.492	HWSAHDRLEMXJMR-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-157878
Brc1oc(c2n(C(C)C)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)cc1	PC-id_19725191	553.492	MQGXTVSETYRQSL-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-157879
Brc1oc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cc1	PC-id_19724832	553.492	HNBYLTLBKAQJLJ-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-157880
Brc1oc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cc1	PC-id_19724729	553.492	GLQCPBZCSQPPLA-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-157881
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)ccc(Cl)c1	PC-id_19728989	553.524	SVWZUIJBNGDXGX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157882
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)ccc(Cl)c1	PC-id_19728930	553.524	IEMKQGRSYCXTBJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157883
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)ccc1Cl	PC-id_17301368	553.524	AMLMJZUBKKFPRO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157884
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)ccc1Cl	PC-id_19729199	553.524	VXMPXAAVUNREQW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157885
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cc(Br)ccc3OC(C)C)sc3c2CCCCCC3)c1	ZINC22_408969172	553.554	IOBZYVIBNVZMJG-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157886
CCCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)Nc1cc(C)ccc1C)CCCCCC2	ZINC22_408970055	553.554	ZJIIQYSKVCFUCG-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157887
CC(OC(C1=CN(CC(c2c1c(no2)C(F)(F)F)(C)C)C(=O)c1cccc(c1)OCCN1CCOCC1)O)C	SCHEMBL19659631	553.571	ZASFZRYYOSMRBA-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-157888
FC(F)(F)c1nn(c2c1CCCCC2)CC(=O)Nc1cn(nc1C)C(C(=O)N1CCN(CC1)C(=O)OCC)C	PC-id_19523868	553.577	JJDNXGUZEGYVES-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-157889
Cn1cc2c(n1)cc(cc2)C(=O)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670396	553.615	WGJYLUCQZQSCON-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157890
Cn1cc2c(n1)cc(cc2)C(=O)N[C@@H]1CC[C@@](CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21040735	553.615	WGJYLUCQZQSCON-KJDSRRNHSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157891
Cn1nc2c(c1)c(ccc2)C(=O)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670395	553.615	ISOOWMGNQMPOGI-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157892
Cn1nc2c(c1)c(ccc2)C(=O)N[C@@H]1CC[C@@](CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21040734	553.615	ISOOWMGNQMPOGI-CKQQTVSASA-N	00000000100010100101000001000010000000000000000000000000	31-01-157893
O=C1NC(C(=O)NC(COCc2nnn(CCCC([NH3+])C(=O)NC1(C)C)c2)C(=O)NC(C)(C)C(=O)OC)(C)C	PC-id_76799697	553.632	RTOLIYUBQLROFP-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-157894
O=C1NC(C(=O)N[C@@H](COCc2nnn(CCC[C@H]([NH3+])C(=O)NC1(C)C)c2)C(=O)NC(C)(C)C(=O)OC)(C)C	PC-id_58481729	553.632	RTOLIYUBQLROFP-HOTGVXAUSA-O	00000000100000000101000000000010000000000000000000000000	31-01-157895
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCCCC4)c2)cc1	PC-id_2461269,EMOLS-id_42764799,MCULE-1313730795,CoCoCo_2985870,CHEMBL1492405,ZINC22_3344737	553.65	YGKNFWYGJYEEJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157897
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2sccc2)cc1)C)C(=O)OCC	PC-id_19658884	553.65	MYSDDJJHPRXYNB-MUFRIFMGSA-N	00000000100100110100000000000010000000000000000000000000	31-01-157898
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2sccc2)cc1)C)C(=O)OCC	PC-id_73633382	553.65	MYSDDJJHPRXYNB-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-157899
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2sccc2)cccc1)C)C(=O)OCC	PC-id_19660852	553.65	FZTCHTKWOVHGLO-MUFRIFMGSA-N	00000000100100110100000000000010000000000000000000000000	31-01-157900
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2sccc2)cccc1)C)C(=O)OCC	PC-id_73635301	553.65	FZTCHTKWOVHGLO-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-157901
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)C)C(=O)OC	PC-id_18910691	553.65	XHWRUWWJYNKHOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157902
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)C(=O)OCC	PC-id_18910725	553.65	WVKOHCLRQZBMGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157903
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)C)C(=O)OC	PC-id_18910559	553.65	ZTIKHAFVWDWZFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157904
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)C(=O)OCC	PC-id_18910593	553.65	RDKNJJSXKQIFOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157905
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)C(=O)OC	PC-id_18910726	553.65	JDJVVZSGFPXIMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157906
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)C(=O)OC	PC-id_18910594	553.65	QUINWARZJQZLFB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157907
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)[C@H]1CCCO1)CC(=O)N[C@H]2Cc1ccccc1	EMOLS-id_317381256,MCULE-3965539342,PC-id_135111147,ZINC22_1704319450	553.653	VYSSKCGSNUWIDF-YJSIEXFISA-N	00000010100000110101000000000010000000000000000000000000	31-01-157908
CC(C)[C@H]1CN(CC(=O)N[C@@H](Cc2ccccc2)c2nc(C)nn2CC(=O)N[C@H](C)C(=O)N1)C(=O)[C@@H]1CCCO1	PC-id_135099377,EMOLS-id_317364355,MCULE-1931487764	553.653	VYSSKCGSNUWIDF-MSYGRNIXSA-N	00000010100000110101000000000010000000000000000000000000	31-01-157909
CC(CN(C(=O)CC1=Cc2oc(nc2CC=C1)NC1=C(C)C=CCC=C1)C(COC1CCC(CC1)C(=O)O)C)F	PC-id_142151598	553.665	XHLDXCMDJCVRBX-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-157910
c1(c2CCCCCc2sc1NC(=O)c1ccccc1NC(=O)c1cccc(C)c1)C(=O)Nc1ccccc1OC	CoCoCo_6968374,EMOLS-id_22050201,SPECS-id_AP-064/41806658,ZINC22_2182489,PC-id_1818512,MCULE-5568412007	553.671	VLVOGHRLBHXBMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157911
C=CC1=C(C=C)c2sc(cc2CCN1C(=O)c1ccc(cc1)NC(=O)c1ccc(cc1C)OC)C(=O)NC1CC1	PC-id_144119847	553.671	KBUONIAMXCMEDP-UHFFFAOYSA-N	00100000100000110110000000000010000000000000000000000000	31-01-157912
CCOCn1cc2nc1C(CCCCC(=O)NCC2)NC(=O)c1ccc(c(c1)C1CC1)CNC(=O)OC(C)(C)C	PC-id_144902705	553.693	XFNXVYDLHKOVFU-UHFFFAOYSA-N	00100000100000110101100000000010000000000000000000000000	31-01-157913
o1c2nc(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC2CC(C)C)Cc2ccccc2)c1	PC-id_76512165	553.693	XUMPURCLFZKXQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157914
o1c2nc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC(C)C)Cc2ccccc2)c1	PC-id_57328750	553.693	XUMPURCLFZKXQH-ZJZGAYNASA-N	00000000100000110101000000000010000000000000000000000000	31-01-157915
O=C1NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O[C@@H](C1)/C=C/CCSC(=O)[C@@H](N)C)C(C)C)(C)C	SCHEMBL19636922	553.695	NLVDYTYCQTZOSB-CWJYKYJBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157916
O=C1NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O[C@@H](C1)/C=C/CCSC(=O)[C@H](N)C)C(C)C)(C)C	SCHEMBL19636923	553.695	NLVDYTYCQTZOSB-DKNDGXAGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-157917
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)CCC(C)C)CC(=O)N[C@H]2Cc1ccccc1	PC-id_135104122,EMOLS-id_317384840,ZINC22_1704319769,MCULE-2945352577	553.696	YYRVRPICXAKRCQ-FGCOXFRFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157918
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC=C)C#N	PC-id_19731397	553.696	OWHJVDMZCFWQKS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157919
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(c(c1C(=O)OCC)C)C(=O)OCC)C)C(=O)OC	PC-id_23886653	553.711	ONRINBLEPIMRGA-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-157920
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(c(c1C(=O)OC)C)C(=O)OCC)C)C(=O)OCC	PC-id_23858846	553.711	YBPCSAZMCJLFMH-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-157921
s1c2c(CCCCC2)c(c1SC(C)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)OCC)C(=O)OCC	PC-id_24081434	553.711	OTWPDEDNRAYEAT-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-157922
s1c2c(CCCCC2)c(c1SC(C(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)OCC)C)C(=O)OC	PC-id_24053802	553.711	BVHQNKCXROBNTR-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-157923
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1sc(c(c1C(=O)OC)C)C(=O)OCC)C)C(=O)OC	PC-id_23743397	553.711	SURSEHMMFYUJMG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-157924
CN(CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2)C	PC-id_141866477	553.714	OENRIHYHIFBUNG-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-157925
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC=C)C(=O)OC	PC-id_17307360	553.739	LROBXTSDJSWMSJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-157926
CN/C/1=CC(=O)O[C@@H](C)C/C(=C/C=CC(=O)O[C@@H](Cc2nc(CC1)cs2)/C=C(/C=C/C(=C/CN(C)C)/C)C)/C	SCHEMBL13297183	553.756	UHNBGFHSRQGKFK-OOHLDQPKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-157927
s1c2nc(CCC(=CC(=O)OC(CC(=CC=CC(=O)OC(C2)C=C(C=CC(=CCN(C)C)C)C)C)C)NC)c1	PC-id_72458074	553.756	UHNBGFHSRQGKFK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-157928
s1c2nc(CC/C(=C/C(=O)O[C@H](C/C(=C/C=CC(=O)O[C@@H](C2)/C=C(/C=C/C(=C/CN(C)C)/C)C)/C)C)/NC)c1	PC-id_58902911	553.756	UHNBGFHSRQGKFK-NBUPCMQTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-157929
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccccc2)ccc1)CC)C(=O)OC	PC-id_19317474	553.759	BEJRKHHFFHJBBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157930
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccccc2)ccc1)C)C(=O)OCC	PC-id_19317409	553.759	QMUOARROIAEACS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157931
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)C)C(=O)OC	PC-id_19317540	553.759	HYNBRPUBRWRGPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157932
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)C(=O)OCC	PC-id_19317574	553.759	YRORWWWYCXXRDQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157933
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccccc2)ccc1)C)C(=O)OC	PC-id_19317410	553.759	XXOQFCHCMJYANV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157934
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2ccccc2)ccc1)C(=O)OCC	PC-id_19317444	553.759	KIYWJBWWUAYEAW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157935
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)C(=O)OC	PC-id_19317575	553.759	WIPFADJQJQZCLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157936
Cc1cc(C(=O)N2CCCCc3sccc23)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1	CHEMBL365862,BindingDB_PC-id_10187625,PC-id_10187625	553.782	UEYPDGNEHOFINV-VWLOTQADSA-N	00000010100000110101000000000010000000000000000000000000	31-01-157937
S=C(N1CCCN(CC1)C)C1N(CCC1)C(=O)NCc1c(cc(C(=O)N2CCCCc3sccc23)cc1)C	PC-id_85337847	553.782	UEYPDGNEHOFINV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-157938
S=C(N1CCCN(CC1)C)[C@@H]1N(CCC1)C(=O)NCc1c(cc(C(=O)N2CCCCc3sccc23)cc1)C	PC-id_10231108	553.782	UEYPDGNEHOFINV-RUZDIDTESA-N	00000010100000110101000000000010000000000000000000000000	31-01-157939
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1c(C(=O)OC2C(CCC(C2)C)C(C)C)cccc1	PC-id_43904249	553.799	YNCHVJZMMCXGIO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157940
CC1/C=C(SCC(c2c(C1OC)sc(c2)C/C(=C
/CC(=O)N(C1=O)C)/SNCC(C)C)CONC)/C	PC-id_134342923,SCHEMBL19967091	553.801	ANHSJMMVEDSVSZ-LIUDFXEBSA-N	00000010100000000110000000000010000000000000000000000000	31-01-157941
S(c1c2-c(c(C(=C3[S+]=CC=C3)c3c4-c(c(SC)c3)ccc(C(C)(C)C)cc4)c1)ccc(C(C)(C)C)cc2)C	PC-id_53343905	553.863	DVZGXUBXYRJHAM-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-157942
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCNC(C2)C(F)(F)F)cc(c1)C(F)(F)F	PC-id_140700372	553.885	HICSVCPBMUWUAS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157943
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCNCC2C(F)(F)F)cc(c1)C(F)(F)F	PC-id_140700464	553.885	KAZVPZUFHPFGCR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157944
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nn(Cc2ccc(Cl)cc2)c1	PC-id_19676895	553.923	KHAKWQUACAYKDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157945
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nn(Cc2c(Cl)cccc2)c1	PC-id_20171525	553.923	GLXTUEYVPVTWIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157946
CCO[P+](C(c1cc(c2-c1cc(ccc2C)C(C)C)S(=O)(=O)OC)Nc1ccc(cc1)Cl)(OCC)[O-]	PC-id_102493964	554.035	PXHHJMPXVDKDEG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-157947
Clc1ccc(OCc2oc(S(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)cc1	PC-id_4224015	554.036	ZDRSGMYWSPEIFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157948
Clc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_19660519	554.057	BONANGVSKREAAQ-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157949
Clc1ccc(COc2ccc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_73634974	554.057	BONANGVSKREAAQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157950
Clc1ccc(COc2cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)cc1	PC-id_5010506	554.057	NRFNZVGBKCORAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157951
Clc1ccc(COc2cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)cc1	PC-id_9688642	554.057	NRFNZVGBKCORAR-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157952
Clc1c(COc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cccc1	PC-id_19661603	554.057	QWCMLTWVRUCNHF-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157953
Clc1c(COc2ccc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cccc1	PC-id_73636034	554.057	QWCMLTWVRUCNHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157954
Clc1c(COc2cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_19660715	554.057	OIWJUYXIJJOULX-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157955
Clc1c(COc2cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_73635167	554.057	OIWJUYXIJJOULX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157956
Clc1ccc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_44043665	554.079	DUWFWUVYONRWPW-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-157957
Clc1ccc(c2nc(SCCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c(cc2)C#N)cc1	PC-id_24111208	554.123	INRRQJZOWXVYOH-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-157958
Clc1ccc(c2ccc(SC3C(C(CC3)Cn3nc4n(c3=O)CCCCC4)C(=O)OC(C)(C)C)cc2)cc1	PC-id_85319741	554.143	GLTGFHZVENZFQV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-157959
Clc1ccc(c2ccc(S[C@@H]3[C@H]([C@@H](CC3)Cn3nc4n(c3=O)CCCCC4)C(=O)OC(C)(C)C)cc2)cc1	PC-id_10929719	554.143	GLTGFHZVENZFQV-LNBJVWSJSA-N	00000010100000110101100000000010000000000000000000000000	31-01-157960
CC[C@@H](CC(=O)N1CC2=NN(C(=O)N2CC(C1=O)CC3=C(C=CC(=C3)Cl)OC)CC)C4=CC(=CC=C4)C(=O)O	PC-id_161452714	554.193	WASZWHDPUCSTRQ-PBVYKCSPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157961
CC(C)C1C(=O)OC(CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N1)(C)C)C=CCCSC(=O)C(C)[NH3+]	PC-id_148650529	554.21	NLVDYTYCQTZOSB-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-157962
CC1=NC=C(C=N1)/C=C/C(=O)CC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCCC(F)(F)F)F	PC-id_160829759	554.234	SGQIQPKRTYEKIR-NSCUHMNNSA-N	00000000100010100101000000000010000000000000000000000000	31-01-157963
CC(C)CC(C(=O)CC1CC2=NN=C(O2)CCNC(=O)C1=O)NC(=O)C(CC(=O)OCC3=CC=CC=C3)C(C)C	PC-id_152941028	554.274	UMUOZBOQQYNTAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157964
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N(CCC#N)CC)cc1	PC-id_69076106,SCHEMBL4517891	554.419	QVSRSANLDKFBRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157965
O=C(N1CCCn2c(C1)cc(n2)S(=O)(=O)N1CCCCC1)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700513	554.506	KRXZORKAAYODNY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-157966
O=C1/C=C(/C(=O)N)C(=O)OCc2c(O1)c(C)c(n2C[C@H](CN1CCOCC1)O)/C=C/1C(=O)Nc2c1cc(F)cc2	PC-id_145784292	554.524	DSWPIRXNLGOLSA-BJNKJAOESA-N	00000010100010100111000000001010000000000000000000000000	31-01-157967
CCCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(SCC1=C(Cl)C=CCC=C1Cl)cc2	PC-id_145511770	554.53	YIOOYKACXPNWKP-HKWRFOASSA-N	00000010100000100110000000001010000000000000000000000000	31-01-157968
S(=O)(=O)(Nc1nc(OC)nc(OC)c1)c1ccc(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)cc1	PC-id_19523649	554.542	YJFATPFHDTYNRA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157969
O=C(Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)NCc1c(Br)sc2c1CCN(C2)C	SCHEMBL18501954	554.563	KDTCXULSDFSCCA-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-157970
O=C(Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCCC2)NCc1c(Br)sc2c1CCNC2	SCHEMBL20922532,PC-id_138564950	554.563	VMEFAZOPHJVIDG-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-157971
ONC(=O)[C@H]1[C@H](CCc2ccc(cc2)C(F)(F)F)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_139966444	554.602	TVIGUGIGERLQAT-FYYLOGMGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157972
S(=O)(=O)(N1C(C(c2c(scc2)CC1)CCc1ccc(cc1)C(F)(F)F)C(=O)NO)c1ccc(OC)cc1	PC-id_76498391	554.602	TVIGUGIGERLQAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157973
S(=O)(=O)(N1[C@@H]([C@H](c2c(scc2)CC1)CCc1ccc(cc1)C(F)(F)F)C(=O)NO)c1ccc(OC)cc1	PC-id_57244779	554.602	TVIGUGIGERLQAT-GMAHTHKFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157974
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)C)C(=O)OC	PC-id_17270639	554.605	OUAAZQNCKNTQQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157975
CC(CC(C(=O)NC1Cc2ccc(o2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	PC-id_138731071,SCHEMBL21110229	554.635	FKLVLUNIRBZSPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157976
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)CC=Cc1ccccc1	MCULE-6061706791	554.638	CAFWYDKMAFUWFR-PLWWPAAYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157977
CC(CC(C(=O)NC1Cc2ncn(c2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	PC-id_138731531,SCHEMBL21110733	554.638	SVQPDQSQGNPJIO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157978
CC(CC(C(=O)NC1Cn2cnc(c2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	SCHEMBL21109369,PC-id_138730218	554.638	GDWFOCWLUZQLTC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157979
CC(CC(C(=O)N[C@@H]1Cc2ncn(c2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	SCHEMBL21110731,PC-id_138731529	554.638	SVQPDQSQGNPJIO-DDRJZQQSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157980
CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2cc(on2)CN(C/C=C/c2ccccc2)CCNC1=O	ZINC22_1772713081,PC-id_137343870,EMOLS-id_317493152	554.638	CAFWYDKMAFUWFR-UKFNQLBLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157981
Cc1nc2c(s1)cc(cc2)C(=O)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041655,PC-id_138671277	554.648	WJMIXYNQAUSEBV-ZWKOTPCHSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157982
Cc1sc2c(n1)cc(cc2)C(=O)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041087,PC-id_138670741	554.648	BIJPZHUCNPLFGU-ZWKOTPCHSA-N	00000000100010100101000001000010000000000000000000000000	31-01-157983
CCOC(=O)COc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750457	554.656	YKJOFGUVAAJKJG-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-157984
OC(=O)CCCOc1cc(ccc1C(=O)N1CCCCc2c1ccs2)NC(=O)c1ccccc1c1ccccc1	PC-id_139750481	554.656	MQCOCVFMAONDAT-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-157985
OC(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750465	554.656	DNVPJJYRTUDBEV-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-157986
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)C(=O)OC	PC-id_18909536	554.678	RZFBRCRJQIHSKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157987
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)C(=O)OC	PC-id_18911912	554.678	PJDJJNZZEACQOS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157988
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)CC(C)C	ZINC22_1772703263,PC-id_137334813,MCULE-7968008134,EMOLS-id_317465487	554.681	DEUQSKMDYWOSTC-AGILITTLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-157989
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(F)cc2)ccc1)CC)C(=O)OCC	PC-id_18910230	554.696	KSTJIOOBGXURLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157990
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(F)cccc2)ccc1)CC)C(=O)OCC	PC-id_18910098	554.696	VLOJJQJUBDIOMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157991
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(F)cc2)ccc1)CC)C(=O)OC	PC-id_18910231	554.696	HZPGGMCPMWUIGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157992
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(F)cc2)ccc1)C)C(=O)OCC	PC-id_18910166	554.696	OSHXBYMWNHFCKD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157993
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(F)cccc2)ccc1)CC)C(=O)OC	PC-id_18910099	554.696	UNZSTIJZVWURFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157994
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(F)cccc2)ccc1)C)C(=O)OCC	PC-id_18910034	554.696	NTRMLRMMPKEGNX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-157995
CCOC(=O)c1ccc(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3cccc(C)c3C)CCCCCC4)o2)cc1	ZINC22_409012431	554.699	IAVLHBIQVULIQG-QXUDOOCXSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157996
CCOC(=O)c1ccc(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3cc(C)ccc3C)CCCCCC4)o2)cc1	ZINC22_409014615	554.699	NITJRWTYOBKWKR-QXUDOOCXSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157997
CCOC(=O)c1ccc(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3ccc(C)c(C)c3)CCCCCC4)o2)cc1	ZINC22_409019014	554.699	VFSOLDATFHFALO-QXUDOOCXSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157998
CCOC(=O)c1ccc(c2ccc(/C=N/c3sc4c(c3C(=O)Nc3cc(C)cc(C)c3)CCCCCC4)o2)cc1	ZINC22_409019670	554.699	WPHVNLFYHQUJBZ-QXUDOOCXSA-N	00000000101000110100100000000010000000000000000000000000	31-01-157999
O=C1NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O[C@@H](C1)/C=C/CCSC(=O)[C@@H]([NH3+])C)C(C)C)(C)C	PC-id_145405226	554.703	NLVDYTYCQTZOSB-CWJYKYJBSA-O	00000000100000000101000000000010000000000000000000000000	31-01-158000
O=C1NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O[C@@H](C1)/C=C/CCSC(=O)[C@H]([NH3+])C)C(C)C)(C)C	PC-id_145405227	554.703	NLVDYTYCQTZOSB-DKNDGXAGSA-O	00000000100000000101000000000010000000000000000000000000	31-01-158001
CCS(=O)(=O)N1CCC(CC1)CCC(=O)NCc1ccc(c(c1)C)C(=O)N1Cc2cnn(c2NC(=C)C1=C)C	PC-id_143188746	554.704	NVKCCRNKEKDGFZ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158002
[Br-].Brc1ccc(C(=O)C[n+]2nc(n3c2CCCCC3)CNc2ccc(Cl)cc2)cc1	CHEMBL1413726	554.705	IKXASPUFVJSIQW-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-158003
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(S(=O)(=O)N(C(C)C)Cc2ccccc2)cc1)C(=O)OCC	PC-id_43947103	554.721	VYDLZCSODNNXDB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158004
c1(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2CC=C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_17379460,TIMTEC318446,EMOLS-id_5079083,MCULE-6964111770,ZINC22_97959324,CoCoCo_6840691	554.724	MSXFBRCZQXAVGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158005
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC)C(=O)OC	PC-id_19642206	554.724	NSPLTTCIFACTLF-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-158006
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)C)C(=O)OCC	PC-id_19642172	554.724	TXKZJORZDKGWGM-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-158007
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC=C)C(=O)OC	PC-id_17302208	554.724	KNJAYKMDYHWATP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158008
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC=C)C(=O)OC	PC-id_19733075	554.724	DVAVOHYDNUTYPW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158009
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC=C)C(=O)OC	PC-id_17254986	554.724	MZJPHYLAJMLWRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158010
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC=C)C(=O)OC	PC-id_17306346	554.724	XKHWICNCNLVYSJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158011
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC=C)C(=O)OC	PC-id_19637056	554.724	UXEYACINJJLTAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158012
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC=C)C(=O)OC	PC-id_19637396	554.724	BVTALTSQBBHPEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158013
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)CC)C)CC=C)C(=O)OC	PC-id_19639093	554.724	YWNNZHDLNNQYLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158014
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC=C)C(=O)OCC	PC-id_19636089	554.724	BVOSLCCVIQMVLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158015
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)CC=C)C(=O)OCC	PC-id_19636446	554.724	COXVRGXAHHBHRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158016
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC=C)C(=O)OCC	PC-id_19636785	554.724	FOMYCSIPAZFRJY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158017
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC=C)C(=O)OCC	PC-id_19643563	554.724	RPKWXYRGDKXPIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158018
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC=C)C(=O)OCC	PC-id_20128987	554.724	SAPLARKCFLZEON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158019
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)CC=C)C(=O)OCC	PC-id_21165858	554.724	NBSINPXURCGASR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158020
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC=C)C(=O)OCC	PC-id_21166163	554.724	YWJSHXGPZQNVCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158021
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC=C)C(=O)OCC	PC-id_17305074	554.724	XPEMJFMHDGVWTF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158022
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC=C)C(=O)OC	PC-id_19632498	554.724	UHSHQTZQWYFNKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158023
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)C)C(=O)OC	PC-id_19642095	554.724	IIVOWKRWXYSWMD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-158024
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cccc1)C)C)CC=C)C(=O)OC	PC-id_17270186	554.724	KUGORVNZBVVBGV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158025
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(ccc1)C)C)CC=C)C(=O)OC	PC-id_17306035	554.724	VEOXYUIWBNWEFG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158026
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)C)C)CC=C)C(=O)OC	PC-id_17306114	554.724	FVZAFLIXOFHCLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158027
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(cc(cc1)C)C)CC=C)C(=O)OC	PC-id_19643506	554.724	VTORFARRDMBOJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158028
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(ccc(c1)C)C)CC=C)C(=O)OC	PC-id_20128908	554.724	IYERSRHPLWWXBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158029
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(c(cc1)C)C)CC=C)C(=O)OC	PC-id_21165784	554.724	CRHWISBVXQJFHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158030
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(cc(c1)C)C)CC=C)C(=O)OC	PC-id_21166117	554.724	PBORDCMYWGRWPM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158031
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1c(c(ccc1)C)C)CC=C)C(=O)OC	PC-id_21166442	554.724	DEQZUMALLCBNFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158032
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(CC)cc1)CC=C)C(=O)OC	PC-id_19632260	554.724	PPLZOLHXRZJVGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158033
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)Nc1cc(ccc1)SN	PC-id_89125924	554.727	MYAHBZITSUMXEQ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158034
NSc1cccc(c1)N/C/1=N/Cc2cc(sc2/C=CC/C=N1)C(=O)N1CCC(CC1)NC(=O)OC(C)(C)C	SCHEMBL13591969	554.727	MYAHBZITSUMXEQ-NJJACTSKSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158035
N#Cc1cccc(c1)c1ccc(c(c1)CN(C(=C)c1sc2c(c1C)CC(=CCC=C2F)F)C1CCC(CC1)C)C	PC-id_143520107	554.736	QUVHYMLWAQYROZ-UHFFFAOYSA-N	00000000100010110110100000000010000000000000000000000000	31-01-158036
C/C=C(/c1cc2c(s1)CC=CC=C2)C=c/1ccn(c1=C)C(c1ccc(cc1)C(=O)NCCC(=O)OC)CC(C)C	PC-id_134345559,SCHEMBL19969939	554.742	HVCHYRMSJTZMLC-KQIQQAFYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-158037
CCN(c1ccc(nn1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=C)c1cc2c(s1)CCCCC2)CC	SCHEMBL12956109,PC-id_88987411	554.749	PNLAMTMXZAYWGK-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-158038
CC(c1ccc(c2-c(c1)c(C)cc2[C@H]([C@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccco1)c1ccco1)C)C	PC-id_101770738	554.76	XMJQIPGTRZNKEG-LQDDJWCHSA-N	00000010101000000110000000000010000000000000000000000000	31-01-158040
CC(c1ccc(c2-c(c1)c(C)cc2[C@@H]([C@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccco1)c1ccco1)C)C	PC-id_101770739	554.76	XMJQIPGTRZNKEG-XRSDMRJBSA-N	00000010101000000110000000000010000000000000000000000000	31-01-158041
NNC(=C)/C=C/c1ccc(cc1)CN(C(=C)/C=Cc1ccccc1CC(=C)C(C)C)CCc1c[nH]c2=CCC#CC=c12	PC-id_142124077	554.767	PCPYUQHNKMNJSL-IDWPBITRSA-N	00000000100000110110000000000010000000000000000000000000	31-01-158042
CCOC1CN(C1)C1CCC(CC1)(CC)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	PC-id_139563511	554.787	JUGVRFHFSGMEPV-UHFFFAOYSA-N	00001000100010101100100000000010000000000000000000000000	31-01-158043
CCOC1CN(C1)[C@@H]1CCC(CC1)(CC)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL21441560	554.787	JUGVRFHFSGMEPV-ZCTDEIJLSA-N	00001000100010101100100000000010000000000000000000000000	31-01-158044
C[N@@H+]1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	GD-id_ZINC28371532	554.79	UEYPDGNEHOFINV-VWLOTQADSA-O	00000010100000110101000000000010000000000000000000000000	31-01-158045
s1c2CCCCCCc2c(c1NC(=O)CCSCCC(=O)Nc1sc2CCCCCCc2c1C#N)C#N	PC-id_3530254	554.79	DEYJITQYTQVPTJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-158046
C(c1c2-c(c([C+](c3c4-c(c(C(C)(C)C)c3)ccc(C(C)(C)C)cc4)[C]3[CH][CH][CH][CH]3)c1)ccc(C(C)(C)C)cc2)(C)(C)C	PC-id_10533466	554.846	QXAWVLALLWIPJI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158047
CC(C)(C)c1ccc2-c(c(cc2C(C)(C)C)/C(=C/C=C(c3ccc(cc[c+]23)C(C)(C)C)C(C)(C)C)/[C]2[CH][CH][CH][CH]2)cc1	PC-id_135518838	554.846	QXAWVLALLWIPJI-RXJYLVDRSA-N	00000011100000000110000000000010000000000000000000000000	31-01-158048
CC(C)(C)c1ccc2-c(c(cc2C(C)(C)C)/C(=C/2C=C(c3ccc(cc[c+]23)C(C)(C)C)C(C)(C)C)/[C]2[CH][CH][CH][CH]2)cc1	PC-id_135726963	554.846	QXAWVLALLWIPJI-XCWGLRIOSA-N	00000011100000000110000000000010000000000000000000000000	31-01-158049
s1c(C(c2c3-c(c(SC)c2)ccc(C(C)(C)C)cc3)c2c3-c(c(SC)c2)ccc(C(C)(C)C)cc3)ccc1	PC-id_53344102	554.871	YWXYCMPKIOOMRC-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-158050
OCC(CN1CC(=O)N(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)OC(F)(F)F)C)O	SCHEMBL21345325,PC-id_139478624	554.903	KVSSNXYUHMMPTM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158051
OCCCN1C(=O)C(C)N(c2c(C1O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)OC(F)(F)F)C	SCHEMBL21345382,PC-id_139478675	554.946	LMMUVBHOEMFANP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158052
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1ccc(cc1)Cl	PC-id_141350339	555.017	FABYHSXEVUMTOQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158053
CC1=NC=C(C=N1)/C=C/C(=O)NC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCCC(F)(F)F)F	PC-id_148395034	555.229	LQSGYEKSJJXDGV-NSCUHMNNSA-N	00000000100010100101000000000010000000000000000000000000	31-01-158054
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=C(CCNC(=O)C2=O)C=NS3	PC-id_161014860	555.24	TXOZRNKSUCKHIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158055
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=C(CCNC(=O)C2=O)N=CS3	PC-id_146762001	555.24	RPPRNSAHJGZIPG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158056
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=C(CCNC(=O)C2=O)SN=C3	PC-id_160894319	555.24	SORBBCNQZBVVQC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158057
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CCC3=C(CNC(=O)C2=O)N=CS3	PC-id_148074441	555.24	JKSCIUKFKULIQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158058
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CCC3=C(CNC(=O)C2=O)SC=N3	PC-id_161666319	555.24	XBRNOWHLRBALQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158059
CC1=CC(=C(C(=O)C1)CN2CCCC3=C(C2=O)C(=C(S3)N(C)C4CCC(CC4)N5CC(C5)OCCOC)C)C	PC-id_147564148	555.313	FTFJSZPOPSBWGV-UHFFFAOYSA-N	00001000100011000100100000000010000000000000000000000000	31-01-158060
COC(=O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br	ZINC22_408964117	555.483	ORQZKRGLXANOQO-MUFRIFMGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158061
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)ccc(Cl)c1	PC-id_19632946	555.497	OQTCGOPCDAHJRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158062
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc(Cl)cc1	PC-id_21166868	555.497	SKJIJTLFYOZZGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158063
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn(Cc2c(Cl)cccc2F)c1	PC-id_20173894	555.515	ZMHCSVPIHPQAOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158064
CCCc1c([nH]c2c1C(C)(C)CN(C=C2C(=O)OC(C)C)C(=P)c1ccc(c(c1)F)F)C(=NC)C(F)(F)F	PC-id_145409515	555.52	CEVLDHVKSDLLQF-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-158065
CCCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408973606	555.526	ZLTUYSBFDALKSY-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158066
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCC	ZINC22_408971704	555.526	JVJWORCCRRLIEY-UXHLAJHPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158067
COc1cc(Br)c(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc1OC	ZINC22_409013545	555.526	KRPIVEWZTBBRCH-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158068
COc1cc(Br)c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1OC	ZINC22_409020105	555.526	ZGBZGBCMWSQPQF-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158069
COc1cc(Br)c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)cc1OC	ZINC22_409010218	555.526	BHJDKMKBXJJMOV-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158070
COc1cc(Br)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)cc1OC	ZINC22_409010236	555.526	BOFRLMWVIYKYTP-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158071
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OC(C)C	ZINC22_408971257	555.526	HXYYCXBPOXSRAD-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158072
COc1cc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1Br	ZINC22_409013445	555.526	KKTWQSFAQYWLJD-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158073
COc1cc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc1Br	ZINC22_409014546	555.526	MVRRAYWPEIUYNP-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158074
COc1cc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)cc1Br	ZINC22_409015998	555.526	QDISDYKBHUXGPS-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158075
COc1cc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)cc1Br	ZINC22_409016615	555.526	QURRINJMSNTVMY-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158076
CC(CC(C(=O)NC1Cc2cnc(o2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	SCHEMBL21109552,PC-id_138730398	555.623	FPMJMJFSRFTVCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158077
CC(CC(C(=O)NC1Cc2ncc(o2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	SCHEMBL21109835,PC-id_138730678	555.623	FQFCVQFPIDFBIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158078
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)CC(=O)N	MCULE-6475381859,EMOLS-id_317492648,ZINC22_1772713092,PC-id_137341378	555.626	CNDHDXYXZLSKNH-DUXKGJEZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158079
Cc1c(c(c(cc1)C1=CC(=Nc2nn3CCN(Cc3c2)C)C(=O)N=N1)F)N/C(=c/1cc2C=CC=C(C=c2s1)C)/O	PC-id_137315495	555.626	KHPRDTXBIHVVFO-WANYAZNKSA-N	00000000100011110111100000010010000000000000000000000000	31-01-158080
CC(CC(C(=O)NC1Cc2cnn(n2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	SCHEMBL21109623,PC-id_138730468	555.626	RTIZXMMBCYQVJO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158081
CC(CC(C(=O)NC1Cc2ncn(n2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	SCHEMBL21109899,PC-id_138730741	555.626	NOKLNWLZOJPKSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158082
CC(CC(C(=O)NC1Cc2nnn(c2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	PC-id_138730111,SCHEMBL21109262	555.626	YBIXAFIQAQUQFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158083
CC(CC(C(=O)NC1Cn2cnc(n2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	PC-id_138730258,SCHEMBL21109411	555.626	LYFVAROZHCKOHE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158084
CC(CC(C(=O)NC1Cn2ncc(n2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	PC-id_138730116,SCHEMBL21109267	555.626	WTBWIFZWBWAOGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158085
CC(CC(C(=O)NC1Cn2nnc(c2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	SCHEMBL21109325,PC-id_138730174	555.626	PMEXVWALMPSXLV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158086
CN1CCn2c(C1)cc(n2)Nc1cc(n[nH]c1=O)c1ccc(c(c1F)NC(=O)c1sc2=CC(=CC=C=c2c1)C)C	SCHEMBL19981700	555.626	ARAGOKJTABUXMY-UHFFFAOYSA-N	00000000100010110111100000010010000000000000000000000000	31-01-158087
O=C1NC(CCC(=O)NCCCn2nnc(CC(NC(=O)OCc3ccccc3)C(=O)NC1CC(C)C)c2)C=O	PC-id_78148784	555.626	WWUVWAHYMWQCIM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158088
O=C1N[C@@H](CCC(=O)NCCCn2nnc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N[C@H]1CC(C)C)c2)C=O	PC-id_71682338,BindingDB_PC-id_71682338,SCHEMBL16710429	555.626	WWUVWAHYMWQCIM-PMVMPFDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158089
O=CC1CCC(=O)NCCCn2nnc(CC(C(=O)NC(C(=O)N1)CC(C)C)N(C(=O)O)Cc1ccccc1)c2	PC-id_118060483,SCHEMBL16698004	555.626	RCOLZNMIAKFZMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158090
O=C(Nc1noc(c1)C(C)(C)C)Nc1ccc(cc1)C#Cc1cnn2c1N=C(OCCCN1CCOCC1)CC#C2	PC-id_139418064,SCHEMBL21276850	555.628	ZGMAXOXKOXGZRW-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158091
C1C(=O)NC(c2cn(C(C(=O)NC(C(=O)NCC(=O)N1)CCCN=C(N)N)CCCN)nn2)Cc1ccccc1	PC-id_89290016	555.633	HHDIGIWMULBINZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158092
NCCCC1n2nnc(c2)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC1=O)CCCNC(=N)N)Cc1ccccc1	SCHEMBL14262356	555.633	HHDIGIWMULBINZ-IJXZTRCJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158093
[O-][N+](=O)c1c(CC(c2c3-c(c(c2)/C=C/c2c4-c(cc2)ccccc4)ccccc3)c2c3-c(cc2)ccccc3)cccc1	PC-id_11444298	555.664	RNKDHGLQMMYJLW-GHVJWSGMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158094
[O-][N+](=O)c1c(CC(c2c3-c(c(c2)C=Cc2c4-c(cc2)ccccc4)ccccc3)c2c3-c(cc2)ccccc3)cccc1	PC-id_72963829	555.664	RNKDHGLQMMYJLW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158095
CCOC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)C)sc2c1CCCCC2	PC-id_121042635	555.666	QKZJIAFQXRVIQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158096
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)C)sc2c1CCCCC2	PC-id_121044256	555.666	BJGXMKOYGILHET-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158097
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)COC)CCCNC(=O)Cn1nc(C)n2	MCULE-9824697709,ZINC22_1772701116,EMOLS-id_317510267,PC-id_137337201	555.669	IPXOVFPGXSNIGU-GJZUVCINSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158098
CN(CCCOc1ccccc2-c1c(C)cc2/C=C/1C(=O)Nc2c1ccc(c2)NS(=O)(=O)c1ccc(cc1)C)C	SCHEMBL3285094	555.687	MULBVHMPBNROCC-USHMODERSA-N	00000010100000110110000000001010000000000000000000000000	31-01-158099
COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1C/C=CC=C/C(c2c(CC1)cc(s2)C(=O)NC1CC1)C	PC-id_144119794	555.687	QSRLNHOLMSSXLT-GLIMQPGKSA-N	00100000100000110110000000000010000000000000000000000000	31-01-158100
S(=O)(=O)(Nc1cc2NC(=O)C(=Cc3c4-c(c(c3)C)c(OCCCN(C)C)cccc4)c2cc1)c1ccc(cc1)C	PC-id_68581156	555.687	MULBVHMPBNROCC-UHFFFAOYSA-N	00000010100000110110000000001010000000000000000000000000	31-01-158101
S(=O)(=O)(NCC(=O)c1ccccc1)c1c(c2ccc(Cn3c4c(nc3CCC)CCCCC4=O)cc2)cccc1	PC-id_9915685	555.687	ZXXQTSNJTVUAAC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158102
C[C@@H]1CN[C@@H](COC(=O)CCCn2cc(CO[C@@H]1CN(C)S(=O)(=O)c1ccc(cc1)c1ccccc1)nn2)C	PC-id_134828993	555.689	AZKOBPAUNUQXFZ-VHFRWLAGSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158103
OC[C@@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)C)C	PC-id_44505146,CHEBI:113375	555.689	KKXDONJUIJKAIN-BCQCSXDESA-N	00000000100000110101100000000010000000000000000000000000	31-01-158104
OC[C@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)C)C	PC-id_44505943,CHEBI:96931	555.689	KKXDONJUIJKAIN-OREGWCPLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158105
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)C)C	CHEBI:97006,PC-id_44505949	555.689	BKQPNZMATHQHFX-VHSZZVNMSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158106
OC[C@@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)C)C	PC-id_44505542,CHEBI:96862	555.689	BKQPNZMATHQHFX-UMTXDNHDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158107
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)c1ccc(cc1)c1ccccc1	PC-id_75036331	555.689	BKQPNZMATHQHFX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158108
S(=O)(=O)(N(CC1OCc2nnn(CCCC(=O)N(CC1C)C(CO)C)c2)C)c1ccc(cc1)c1ccccc1	PC-id_75036249	555.689	KKXDONJUIJKAIN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158109
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1ccc(cc1)c1ccccc1	PC-id_44505360	555.689	BKQPNZMATHQHFX-OREGWCPLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158110
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1ccc(cc1)c1ccccc1	PC-id_44505361	555.689	BKQPNZMATHQHFX-BCQCSXDESA-N	00000000100000110101100000000010000000000000000000000000	31-01-158111
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1ccc(cc1)c1ccccc1	PC-id_44505539	555.689	BKQPNZMATHQHFX-XXAUWVGASA-N	00000000100000110101100000000010000000000000000000000000	31-01-158112
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1ccc(cc1)c1ccccc1	PC-id_44505540	555.689	BKQPNZMATHQHFX-BERHBOFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158113
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1ccc(cc1)c1ccccc1	PC-id_44505942	555.689	BKQPNZMATHQHFX-VHFRWLAGSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158114
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1ccc(cc1)c1ccccc1	PC-id_44505953	555.689	BKQPNZMATHQHFX-LOYIFYEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158115
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C)c1ccc(cc1)c1ccccc1	PC-id_44505362	555.689	KKXDONJUIJKAIN-XXAUWVGASA-N	00000000100000110101100000000010000000000000000000000000	31-01-158116
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@H](CO)C)c2)C)c1ccc(cc1)c1ccccc1	PC-id_44505364	555.689	KKXDONJUIJKAIN-VHSZZVNMSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158117
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C)c1ccc(cc1)c1ccccc1	PC-id_44505366	555.689	KKXDONJUIJKAIN-BERHBOFZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158118
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1ccc(cc1)c1ccccc1	PC-id_44505538	555.689	KKXDONJUIJKAIN-VHFRWLAGSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158119
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1ccc(cc1)c1ccccc1	PC-id_44505543	555.689	KKXDONJUIJKAIN-LOYIFYEOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158120
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@H](CO)C)c2)C)c1ccc(cc1)c1ccccc1	PC-id_44505545	555.689	KKXDONJUIJKAIN-UMTXDNHDSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158121
O=CN/C(=CN=C(C1C=CC=Cc2c1[nH]n(c2=O)CCN1CCCC1)C)/C=C(/c1cc(C)cc(c1)C)C=C(/CC)O	PC-id_142890561	555.71	LQRAEHLIBFQTPO-MVHIFTGZSA-N	00000010100000110111000000000010000000000000000000000000	31-01-158122
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(C)c3)n2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-6429310125,EMOLS-id_22701110,PC-id_4146883	555.712	FKEJRFXDURISEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158123
c1(NC(=O)C(C)Sc2nnc(CNC(=O)Cc3ccccc3)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_5196592,MCULE-8368844413,EMOLS-id_22701126	555.712	QQWOQBKFDXZNAH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158124
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(C)c3)C)n2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4860883059,EMOLS-id_22700622,CoCoCo_2661621,PC-id_5079078	555.712	XFJQKAFCEDIUJI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158125
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2cccc(c2)C)C)sc2c1CCCCC2	CoCoCo_2662047,PC-id_98229474	555.712	FKEJRFXDURISEB-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158126
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2cccc(c2)C)C)sc2c1CCCCC2	PC-id_98229475,CoCoCo_2662048	555.712	FKEJRFXDURISEB-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158127
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)Cc2ccccc2)C)sc2c1CCCCC2	CoCoCo_2662069,PC-id_98359356	555.712	QQWOQBKFDXZNAH-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158128
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)Cc2ccccc2)C)sc2c1CCCCC2	CoCoCo_2662070,PC-id_98359355	555.712	QQWOQBKFDXZNAH-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158129
CCOC(=O)Cn1c(C)c(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)c2ccccc12	ZINC22_408970345	555.73	GNUACNLFFRYHKJ-ALQBTCKLSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158130
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)C(=O)OC	PC-id_19317705	555.732	KIRNVWDTMLXLIU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158131
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc(c2)C)C(=O)OCC	PC-id_4229019	555.732	QJQGCRCPIDIRRG-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158132
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC)C(=O)OCC	PC-id_19641944	555.755	XESFKCGYANSRPZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158133
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC)C(=O)OC	PC-id_19641865	555.755	FDEANTHMPZTFPR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158134
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)C[C@@H](C[C@@H](c2nc(C1)sc2)C)N)/C)C)C	SCHEMBL15452273	555.772	DSPNTLCJTJBXTD-QTMSNXNWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158135
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)C[C@@H](C[C@@H](c2nc(C1)sc2)C)N)/C)C)C	CHEMBL1221966,UNPD107994,CHEBI:134184,SCHEMBL16103926,CMNPD9617	555.772	DSPNTLCJTJBXTD-IRNRRZNASA-N	00000000100000000111000000000010000000000000000000000000	31-01-158136
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(C)/C[C@H](C)OC(=O)C[C@@H](C[C@@H](c2nc(C1)sc2)C)N)/C)C)C	PC-id_140682516	555.772	DSPNTLCJTJBXTD-CIIFZBQESA-N	00000000100000000111000000000010000000000000000000000000	31-01-158137
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=C/C=C(C)/C[C@H](C)OC(=O)C[C@@H](C[C@@H](c2nc(C1)sc2)C)N)/C)C)C	SCHEMBL16970910,PC-id_118276813	555.772	DSPNTLCJTJBXTD-GRNVTQSRSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158138
CN(CC=C(C=CC(=C[C@H]1OC(=O)C=CC=C(C)C[C@H](C)OC(=O)C[C@@H](C[C@@H](c2nc(C1)sc2)C)N)C)C)C	SCHEMBL16970911	555.772	DSPNTLCJTJBXTD-GWMMUDDPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158139
COCCOC1CN(C1)C1CCC(CC1)C(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL18610967	555.772	HZGQYSYFHIGKKO-UHFFFAOYSA-N	00001000100010101100100000000010000000000000000000000000	31-01-158140
O=C1OC(C=C(/C=C/C(=CCN(C)C)C)C)Cc2nc(cs2)C(C)CC(N)CC(=O)OC(C)C/C(=CC=C
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s1cc2nc1C[C@H](OC(=O)C=CC=C(C[C@@H](OC(=O)C[C@H](N)C[C@@H]2C)C)C)/C=C(C)/C=C/C(=C/CN(C)C)/C	PC-id_10053416	555.772	DSPNTLCJTJBXTD-ICZIIDSFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158142
s1cc2nc1C[C@H](OC(=O)C=CC=C(C[C@@H](OC(=O)C[C@H](N)C[C@@H]2C)C)C)/C=C(C)/C=C/C(=CCN(C)C)C	PC-id_11226704	555.772	DSPNTLCJTJBXTD-GYSXWQJESA-N	00000000100000000111000000000010000000000000000000000000	31-01-158143
s1cc2nc1C[C@H](OC(=O)C=CC=C(C[C@H](OC(=O)C[C@H](N)C[C@@H]2C)C)C)/C=C(C)/C=C/C(=C/CN(C)C)/C	PC-id_21456217	555.772	DSPNTLCJTJBXTD-MXIDHIOTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158144
s1cc2nc1C[C@H](OC(=O)C=CC=C(C[C@H](OC(=O)C[C@H](N)C[C@@H]2C)C)C)/C=C(C)/C=C/C(=CCN(C)C)C	PC-id_21457386	555.772	DSPNTLCJTJBXTD-KGGKQTMVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158145
s1cc2nc1CC(OC(=O)C=CC=C(CC(OC(=O)CC(N)CC2C)C)C)/C=C(C)/C=C/C(=C/CN(C)C)/C	PC-id_16058486	555.772	DSPNTLCJTJBXTD-KGFCVSPCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158146
s1cc2nc1CC(OC(=O)C=CC=C(CC(OC(=O)CC(N)CC2C)C)C)/C=C(/C)C=CC(=CCN(C)C)C	PC-id_9937586	555.772	DSPNTLCJTJBXTD-LZPBTJPYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158147
C(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)[C]1[CH][CH][CH][CH]1	PC-id_10580387	555.854	KUTRTULGZOPQLS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158148
Brc1ccc(CC2C(N(S(=O)(=O)c3cc(Cl)ccc3)CCc3sccc23)C(=O)NO)cc1	PC-id_76487228	555.892	NWDMUBCERRPUOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158149
Brc1ccc(C[C@@H]2[C@H](N(S(=O)(=O)c3cc(Cl)ccc3)CCc3sccc23)C(=O)NO)cc1	PC-id_57172171	555.892	NWDMUBCERRPUOZ-FPOVZHCZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158150
CC(C)c1ccc2-c(c(cc2S(=O)(=O)O)CCCC[As]S(=O)(=O)c2ccc(cc2)Cl)cc1	PC-id_88027829	555.946	DGSHTCNXEAKVGZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158151
CCC(c1cccc(c1)C(=O)O)NC(=O)N1Cc2nn(c(=O)n2CC(C1=O)Cc1cc(Cl)ccc1OC)CC	PC-id_70856057,SCHEMBL13194930	556.01	KJKGOCNLBCLBIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158152
CC[C@H](c1cccc(c1)C(=O)O)NC(=O)N1Cc2nn(c(=O)n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC)CC	SCHEMBL12980355,PC-id_70815240	556.01	KJKGOCNLBCLBIL-PZJWPPBQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158153
CCC1(CC)CN(C)CCN1C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700485	556.02	YPESFSSNVWJGEP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158154
C1=CC=NC(=C1)C[C@@H]2C(=O)NC3=C(C(=O)N2CC4=CC(=C(C=C4)/C(=N/C5=CN6C=CN=C6C=N5)/[O-])Cl)SC=C3	PC-id_164916588	556.096	LOTPYSPKZOEDIC-OAQYLSRUSA-M	00000000100000111101000001000010000000000000000000000000	31-01-158155
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)C)cc1C)C	PC-id_19641642	556.142	FRHFVMPQEXOEPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158156
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cc1C)C	PC-id_19634708	556.142	BRHOTSUHZALOTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158157
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)C)cc1)C	PC-id_19641278	556.142	IOALVYWIPOKDAR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158158
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)C)cc1)C	PC-id_20122433	556.142	UZIGMZOMVSQEEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158159
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)cc1)C	PC-id_20123451	556.142	AVNBLXPHNMPXBF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158160
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)C)cc(cc1)C	PC-id_17305784	556.142	LBIHBRRPZAZMHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158161
Clc1ccc(S(=O)(=O)N2CCN(CC2)C(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1	PC-id_20180859	556.161	GHBVEBLDICEEJG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158162
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CC3=C(CCNC(=O)C2=O)SN=N3	PC-id_161089852	556.236	UHAIXJJMNHYIOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158163
CC(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)CC2CCC3=C(CNC(=O)C2=O)N=NS3	PC-id_160591874	556.236	RDDBQZJREGVNRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158164
Brc1cc2n(c(nc2cc(Br)c1=O)CCC)Cc1ccc(cc1)c1c(cccc1)C(=O)O	PC-id_19102908,SCHEMBL9336956	556.246	USQUXLKBDVXULZ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-158165
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N	PC-id_3559576	556.342	YIDWQWRYXJPJMW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-158166
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CCNC(=O)C2)cc1	PC-id_69069757,SCHEMBL4503070	556.392	ZULOWWABQQJRNY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158167
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NC1CCCNC1)Nc1c(cc(cc1)I)F)C	PC-id_91431642	556.435	YSSBOOQPHTZACI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-158168
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NC1CCN(C1)C)Nc1c(cc(cc1)I)F)C	PC-id_91179079	556.435	IAYAKSQLQZEDOV-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-158169
CN1CCN(CC1)C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I	SCHEMBL4512451,PC-id_69073988	556.435	MCFULIQUMNLJFM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158170
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)N1CCNCCC1)CC(CNC2=O)(C)C	SCHEMBL4503717,PC-id_69070036	556.435	CSLHKEGNIYYLDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158171
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NC1CNCC1)CC(CN(C2=O)C)(C)C	PC-id_69071662,SCHEMBL4507157	556.435	UTAGIBDAEIEBRL-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-158172
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NN1CCCC1)CC(CN(C2=O)C)(C)C	PC-id_69071667,SCHEMBL4507164	556.435	PWNKZIAUQRZUSQ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-158173
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NCC2NCCC2)cc1	PC-id_76535279	556.435	FWFGUZWWBVRJFF-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-158174
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NC[C@@H]2NCCC2)cc1	PC-id_57391776	556.435	FWFGUZWWBVRJFF-CYBMUJFWSA-N	00000010100000110100000000000010000000000000000000000000	31-01-158175
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N[C@@H]2CCCNC2)cc1	PC-id_56643086	556.435	YSSBOOQPHTZACI-CYBMUJFWSA-N	00000000100010110100000000000010000000000000000000000000	31-01-158176
Ic1cc(F)c(Nc2sc3c(CC(CN(C3=O)C)(C)C)c2C(=O)N2CC(C2)CN)cc1	SCHEMBL4521035,PC-id_69077308	556.435	KOSJJEJWTAVELM-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-158177
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)N(OCP(=O)(OCC)OCC)C	PC-id_88125143,SCHEMBL7301716	556.499	QZOXYFWNJAPBPR-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158178
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C(=O)OC	PC-id_20166473	556.541	CSGJCSFUOMRNIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158179
OC(Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)NCc1c(Br)sc2c1CCN(C2)C	PC-id_138564931,SCHEMBL20922512	556.579	UJOVMSSJMYRUAK-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-158180
O[C@@H](CN1CCCc2c(C1=O)c(C)c(n2OC(=O)C(O)C)/C=C/1C(=O)Nc2c1cc(F)cc2)CN1CCOCC1	PC-id_140600443	556.583	QGARHVHBXHKKHR-WFTBIUFNSA-N	00000010100010100101000000001010000000000000000000000000	31-01-158181
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C(=O)OCC)C(=O)OCC	PC-id_19102886,SCHEMBL9339497	556.606	COYQPMXTFKKFCQ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-158182
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)Cc1ccccc1	EMOLS-id_317473394,MCULE-9887579627,ZINC22_1772701187,PC-id_137335110	556.611	CUWDPXBBKOYCDS-TXKCWOHGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158183
CC(CC(C(=O)NC1Cc2nnc(o2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	SCHEMBL21110182,PC-id_138731024	556.611	XMFHXEIVWGHGEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158184
N#CC(=C(C(=C(C#N)C#N)c1cc(c2-c1cccc(c2)C(C)C)C(=O)OC)c1ccc(cc1)C#Cc1ccccc1)C#N	PC-id_102579717	556.612	ODOUVPCMKSKHFI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158185
C/C=C/c1ccc(cc1[C@H]1CCCC(CC1)C/C/1=C/CCCc2n(/C=C1)nc(c2C(=O)Nc1ccc(cc1)F)N)F	PC-id_139455240,SCHEMBL21319574	556.689	MPRLAMLTWQHKTK-LPCLSQEASA-N	00000000100000110111100000000010000000000000000000000000	31-01-158186
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)C)C(=O)OC	PC-id_18897827	556.693	ADGLMRUVYACXDR-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-158187
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)C(=O)OCC	PC-id_18897861	556.693	HSFYDXFFBGXXGD-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-158188
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)C(=O)OC	PC-id_18897862	556.693	ORDAOSTYGYFNNC-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-158189
CCOC(=O)N1CCC(CC1)Nc1ccc2c(c1)/C(=Cc1cc(c3-c1ccccc3OCCCN(C)C)C)/C(=O)N2	SCHEMBL13324684,PC-id_59301622	556.695	GTTFBBLLSQBZSM-VFCFBJKWSA-N	00000010100010100110000000001010000000000000000000000000	31-01-158190
CCOC(=O)N1CCC(CC1)Nc1ccc2c(c1)/C(=C/c1cc(c3-c1ccccc3OCCCN(C)C)C)/C(=O)N2	SCHEMBL3286009	556.695	GTTFBBLLSQBZSM-RRAHZORUSA-N	00000010100010100110000000001010000000000000000000000000	31-01-158191
CCOC(=O)N1CCC(CC1)Nc1ccc2c(c1)NC(=O)/C/2=C/c1cc(c2-c1ccccc2OCCCN(C)C)C	SCHEMBL13324694,PC-id_25264206	556.695	KYKXCOZOGAKVRP-VFCFBJKWSA-N	00000010100010100110000000001010000000000000000000000000	31-01-158192
CCOC(=O)N1CCC(CC1)Nc1ccc2c(c1)NC(=O)/C/2=Cc1cc(c2-c1ccccc2OCCCN(C)C)C	SCHEMBL3288199	556.695	KYKXCOZOGAKVRP-RRAHZORUSA-N	00000010100010100110000000001010000000000000000000000000	31-01-158193
O(C(=O)N1CCC(Nc2cc3c(NC(=O)C3=Cc3c4-c(c(c3)C)c(OCCCN(C)C)cccc4)cc2)CC1)CC	PC-id_68581531	556.695	GTTFBBLLSQBZSM-UHFFFAOYSA-N	00000010100010100110000000001010000000000000000000000000	31-01-158194
O(C(=O)N1CCC(Nc2cc3NC(=O)C(=Cc4c5-c(c(c4)C)c(OCCCN(C)C)cccc5)c3cc2)CC1)CC	PC-id_68582422	556.695	KYKXCOZOGAKVRP-UHFFFAOYSA-N	00000010100010100110000000001010000000000000000000000000	31-01-158195
s1c2c(CCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(n2c(nnc2SC)C)cc1)CC)C(=O)OCC	PC-id_24055560	556.697	PUDTVIAJUREAFB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158196
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC=C)C(=O)OCC	PC-id_19731168	556.697	TUPRHRNZWOUKRG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158197
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC=C)C(=O)OC	PC-id_19640325	556.697	KYHORHTUGCNYPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158198
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)CC=C)C(=O)OCC	PC-id_19633477	556.697	BKLFMJJNVKOWTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158199
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(n2c(nnc2SC)C)cc1)CC)C(=O)OC	PC-id_24137393	556.697	LQVLNHMJLWDDTF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158200
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(n2c(nnc2SC)C)cc1)C)C(=O)OCC	PC-id_23972102	556.697	DSEWNMVOTGHRHD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158201
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)cc1)CC=C)C(=O)OC	PC-id_17301831	556.697	HNUSZSXQAFZEMP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158202
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(OC)cc1)CC=C)C(=O)OC	PC-id_19633433	556.697	YHUYFZZMVRKSQI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158203
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_75036339	556.7	AFGWKCDRVGDDFW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158204
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_75632172	556.7	LMWGPKORGYIWNW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158205
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	CHEBI:95747,PC-id_44619742	556.7	AFGWKCDRVGDDFW-DRLORSAXSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158206
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_44505422	556.7	AFGWKCDRVGDDFW-XLGIIRLISA-N	00000000100010110101100000000010000000000000000000000000	31-01-158207
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_46903249	556.7	AFGWKCDRVGDDFW-AOJNWGRGSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158208
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_51358828	556.7	AFGWKCDRVGDDFW-VVZHRXSXSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158209
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_51358831,CHEBI:95685	556.7	AFGWKCDRVGDDFW-UFPGJGBJSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158210
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_54631270	556.7	AFGWKCDRVGDDFW-VRUMLPLGSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158211
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_54631271	556.7	AFGWKCDRVGDDFW-MCEYFSPLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158212
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_54631272	556.7	AFGWKCDRVGDDFW-TVZXLZGTSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158213
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	CHEBI:95752,PC-id_44485756	556.7	LMWGPKORGYIWNW-MCEYFSPLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158214
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	CHEBI:95798,PC-id_44485755	556.7	LMWGPKORGYIWNW-TVZXLZGTSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158215
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	CHEBI:95890,PC-id_44486966	556.7	LMWGPKORGYIWNW-DRLORSAXSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158216
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	CHEBI:96297,PC-id_44488698	556.7	LMWGPKORGYIWNW-VVZHRXSXSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158217
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_44485068,CHEBI:95691	556.7	LMWGPKORGYIWNW-XLGIIRLISA-N	00000000100010110101100000000010000000000000000000000000	31-01-158218
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_44486360	556.7	LMWGPKORGYIWNW-VRUMLPLGSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158219
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_44488697,CHEBI:96608	556.7	LMWGPKORGYIWNW-UFPGJGBJSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158220
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(C)C(=O)Nc1ccc(N2CCN(CC2)C)cc1	PC-id_51358832	556.7	LMWGPKORGYIWNW-AOJNWGRGSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158221
CC(C)[C@H]1/C=CC/C=C/CCCCc2cc1c(n2COCC[Si](C)(C)C)C(=O)[Se]c1ccccc1	PC-id_134872634	556.713	IEVDDCNWEQGWKY-XZPOVVIBSA-N	00000000100000110110000000000010000000000000000000000000	31-01-158222
s1c2c(CCCCC2)c(c1NC(=O)c1sc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)cc1)C(=O)N	PC-id_5228452	556.72	DTCUTESXASDZOK-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-158223
CCN(c1ccc(nn1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)CC	SCHEMBL3961943,PC-id_59557858	556.722	LRVFIBNUHYFFLT-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-158224
CC/C=C/1CN(Cc2c(N1)n(C)nc2)C(=O)C1CCC(CC1)CNC(=O)CC1CCN(CC1)C(=O)OC(C)(C)C	PC-id_143188685	556.74	NJNFXYILCNFTLR-JRXWSOMVSA-N	00000000100010000101000000000010000000000000000000000000	31-01-158225
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC)C(=O)OCC	PC-id_17302285	556.74	WRQHLAPOFHIPCF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158226
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC)C(=O)OCC	PC-id_19732705	556.74	PNFSHJFPEXWVPM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158227
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC)C(=O)OCC	PC-id_17262790	556.74	JURZAKKRAOHUAC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158228
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC)C(=O)OCC	PC-id_19637017	556.74	RALNCUITLYJTPS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158229
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC)C(=O)OCC	PC-id_19637364	556.74	LCCTVMCWLDAFMI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158230
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC)C(=O)OCC	PC-id_19637700	556.74	UADDDPUCXTVAMC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158231
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)CC)C)CC)C(=O)OCC	PC-id_19639060	556.74	WLPJXMWVWMPTRF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158232
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC)C(=O)OC	PC-id_17306727	556.74	ZAYQQHZWFNFMLM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158233
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC)C(=O)OCC	PC-id_19632466	556.74	YISHDRBPADZIAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158234
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)C)C(=O)OCC	PC-id_19639205	556.74	IBSOGTQORDWROF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158235
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC)C(=O)OC	PC-id_19632715	556.74	BDGCURIQYTZABT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158236
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)C)C(=O)OC	PC-id_19639391	556.74	CKKJQHMHZVLUFQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158237
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)C)C(=O)OCC	PC-id_19632680	556.74	HAEUIOBNVKMSID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158238
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC)C(=O)OC	PC-id_19732628	556.74	GEZFUSCDJBLHLB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158239
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC)C(=O)OC	PC-id_19732966	556.74	DECWNTURWKKCGV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158240
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC)C(=O)OC	PC-id_17262188	556.74	ZQJWIIJUSBXQRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158241
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC)C(=O)OC	PC-id_17268261	556.74	METAXCHJQZEDRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158242
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)CC)C)CC)C(=O)OC	PC-id_17306649	556.74	VGZKDGLJAKRUNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158243
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC)C(=O)OC	PC-id_17307733	556.74	DMWPTVRUEFTVHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158244
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC)C(=O)OC	PC-id_19636938	556.74	GOWGKVHILYHXQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158245
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC)C(=O)OC	PC-id_19632412	556.74	CDBDZXXHDOZHBH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158246
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)C)C(=O)OC	PC-id_19639163	556.74	XALAWEGBHKHBRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158247
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)C)C(=O)OC	PC-id_19632606	556.74	JDDWNDBVYVZMNS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158248
CCCCCCC(=O)OCCCOCC1(COCCCOC(=O)CCCCCC)COc2c(OC1)csc2	PC-id_66616188,SCHEMBL182409	556.752	BLJRZXJDYJSOGK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158249
CCCCCC(=O)OCCCOCC1(COCCCOC(=O)CCCCC)COc2c(OC1)c(sc2C)C	SCHEMBL13104063,PC-id_57857294	556.752	GAEITZNVXHPYGA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158250
COCCOC1CN(C1)C1CCC(CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL19186031	556.76	XAZDVHUROPTCCC-UHFFFAOYSA-N	00001000100010101100100000000010000000000000000000000000	31-01-158251
COCCOC1CN(C1)[C@@H]1CCC(CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL18611105	556.76	XAZDVHUROPTCCC-SAWYFRRKSA-N	00001000100010101100100000000010000000000000000000000000	31-01-158252
COCCOC1CN(C1)[C@@H]1CC[C@H](CC1)N(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C	SCHEMBL18556210	556.76	XAZDVHUROPTCCC-YHBQERECSA-N	00001000100010101100100000000010000000000000000000000000	31-01-158253
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2sccc2)ccc1)CC)C(=O)OCC	PC-id_18911156	556.76	ZFTXVQKDOBAODR-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-158254
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CCCCC2)ccc1)CC)C(=O)OCC	PC-id_18911816	556.78	NWFBQOKQTCHTCI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-158255
O=C(C1(COc2c(OC1)c(sc2C#C[Si](C)(C)C)C#C[Si](C)(C)C)C(=O)c1ccccc1)c1ccccc1	PC-id_102259378	556.819	KPGKZGSJJFZXOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158256
Clc1ccc(cc1)S(=O)(=O)[AsH]CCCCc1cc(c2-c1ccc(cc2)C(C)C)S(=O)(=O)O	SCHEMBL6685753	556.954	LIEDLHMEHPIDPL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158257
Clc1ccc(cc1)c1ccc(nc1)C#CC1=Cc2cc(sc2CC=C1)CN1CC[C@@]([C@@H](C1)O)(O)C(F)(F)F	PC-id_143125016	557.026	VJFIKNSSAVYLBS-IZLXSDGUSA-N	00000000100010111110100000000010000000000000000000000000	31-01-158258
C1=CC=NC(=C1)C[C@@H]2C(=O)NC3=C(C(=O)N2CC4=CC(=C(C=C4)C(=O)NC5=CN6C=CN=C6C=N5)Cl)SC=C3	PC-id_164916589	557.104	LOTPYSPKZOEDIC-OAQYLSRUSA-N	00000000100000111101000001000010000000000000000000000000	31-01-158259
Clc1cc2cc([nH]c2cc1)C(=O)NC1C(NC(=O)c2sc3c(n2)CCN(CC3)C)CC(CC1)C(=O)N(C)C	PC-id_77218679	557.107	CKBYAXIQSXCYES-UHFFFAOYSA-N	00000000100010100101000001100010000000000000000000000000	31-01-158260
Clc1cc2cc([nH]c2cc1)C(=O)N[C@@H]1[C@H](NC(=O)c2sc3c(n2)CCN(CC3)C)C[C@H](CC1)C(=O)N(C)C	SCHEMBL1503762,PC-id_67056426	557.107	CKBYAXIQSXCYES-PAXLWEDBSA-N	00000000100010100101000001100010000000000000000000000000	31-01-158261
Clc1ccc(CC(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)cc1	PC-id_18909371	557.124	VRQDHJAGJLUDCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158262
Clc1ccc(CC(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)cc1	PC-id_18909405	557.124	PPEFQTHWQZRJLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158263
Clc1ccc(CC(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)cc1	PC-id_18909406	557.124	YJJMAOOLCLOCTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158264
Clc1cc(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)ccc1	PC-id_18910428	557.124	JMDVWFOWQZWJFI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158265
Clc1cc(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)ccc1	PC-id_18910493	557.124	WKLNWZNXHAWQNU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158266
Clc1cc(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)ccc1	PC-id_18910429	557.124	GYCITIPDBUSUBH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158267
Clc1cc(C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)ccc1	PC-id_18910463	557.124	DHGCFERFDCQKHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158268
CNC[C@@H]1CCCCC(CC2=C1C=CS2)[I-]CC3=CC4=C(S3)CCCCC4CNC	PC-id_163879419	557.153	FVYHOYOXHFYQCC-HDYDNRTBSA-N	00000000100000000100000000000010000000000000000000000000	31-01-158269
CC1CCC(N1S(=O)(=O)C2=C3C=CCCCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278661	557.156	YIGYPDDZVFBIKH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158270
O=C(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCn1cc2c(c1)OCCCO2	PC-id_101467011	557.303	CETZTDRMGVRQFU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158271
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NC1CCOC1=O)Nc1c(cc(cc1)I)F)C	PC-id_91211597	557.377	IVZLXSHEFKQZIZ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-158272
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC1CCCO1)Nc1c(cc(cc1)I)F)C	PC-id_90906289	557.42	ZZKBLAHEOWUWHQ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-158273
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2C(CCC2)CO)cc1	PC-id_69069921,SCHEMBL4503464	557.42	SKUAMVZRHGLXNW-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-158274
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CCC(O)CC2)cc1	SCHEMBL4506361,PC-id_69071310	557.42	YAORSFMAVRNGCY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-158275
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CC(O)CCC2)cc1	SCHEMBL4507433,PC-id_69071786	557.42	OWXDBIKMQCWBPF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-158276
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2[C@@H](CCC2)CO)cc1	PC-id_69069919,SCHEMBL4503460	557.42	SKUAMVZRHGLXNW-ZDUSSCGKSA-N	00000010100000110100000000000010000000000000000000000000	31-01-158277
CCOC(=O)c1cc(c2-c1ccc(cc2)C#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC	PC-id_102518006	557.595	IICHHODMROICLX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158278
COC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)OC)sc2c1CCCCC2	PC-id_121041473	557.638	PHDBRFGIPDDJQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158279
COC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)OC)sc2c1CCCCC2	PC-id_121043503	557.638	YOQNTPOFXSRIPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158280
COC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)OC)sc2c1CCCCC2	PC-id_121045521	557.638	FVNOFIZQHMOATH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158281
O=C1NC(CCC(=O)NCCCn2nnc(CC(NC(=O)OCc3ccccc3)C(=O)NC1CC(C)C)c2)CO	PC-id_78148734	557.642	SAMHMGNFOZHCAI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158282
O=C1N[C@@H](CCC(=O)NCCCn2nnc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N[C@H]1CC(C)C)c2)CO	PC-id_71682193	557.642	SAMHMGNFOZHCAI-PMVMPFDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158283
Cc1ccc(cc1)CNc1cc2NC(=O)/C(=Cc3[nH]c4c(c3C)C(=O)N(CCC4)CCN3CCOCC3)/c2cc1F	PC-id_145511774	557.658	ALSJXNIEJVRHJA-ULJHMMPZSA-N	00000010100010110101000000001010000000000000000000000000	31-01-158284
COc1ccc([N+](=O)[O-])cc1c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)o1	ZINC22_409012434	557.66	IBLOCCZWVXJKJF-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-158285
COc1ccc([N+](=O)[O-])cc1c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)o1	ZINC22_409017660	557.66	SRKXZEBNGYBEKS-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-158286
COc1ccc([N+](=O)[O-])cc1c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)o1	ZINC22_409012872	557.66	JBUFAHBTKLCRAY-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-158287
COc1ccc([N+](=O)[O-])cc1c1ccc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)o1	ZINC22_409014003	557.66	LOAORDDIPXBTRJ-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-158288
O=C(NC(C(=O)NC(C(=O)NC1Cc2cnsc2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21109225,PC-id_138730074	557.662	ZMJGQVMUWWHPMW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158289
O=C(NC(C(=O)NC(C(=O)NC1Cc2ncsc2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21110175,PC-id_138731017	557.662	SYJQHQULIONYMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158290
O=C(NC(C(=O)NC(C(=O)NC1Cc2scnc2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21109451,PC-id_138730297	557.662	OUTSMDAZXKKGOC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158291
O=C(NC(C(=O)NC(C(=O)NC1Cc2sncc2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	PC-id_138730549,SCHEMBL21109704	557.662	UFKZOBFHMIVZQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158292
O=C(NC(C(=O)NC(C(=O)NC1CCc2ncsc2CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	PC-id_138730816,SCHEMBL21109974	557.662	GFFVURUTUNVFML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158293
O=C(NC(C(=O)NC(C(=O)NC1CCc2scnc2CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21109121,PC-id_138729972	557.662	ZMUBQONRTGFIJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158294
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2ncc([nH]2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)CCCCN)O)/C	PC-id_137476757,SCHEMBL20717871	557.682	UZUURDVWGNYSMP-WJULKMGCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158295
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2C)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661050,PC-id_4207484,EMOLS-id_22699688,MCULE-4413252911	557.685	CQWJLJWGCAQTIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158296
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4109665,EMOLS-id_22700778,MCULE-6422080092,CoCoCo_2661719	557.685	ZDAZRZIQHHPSMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158297
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nn(Cc2cc(Cl)c(Cl)cc2)c1	PC-id_20173382	557.943	AREKNBBWUGEMIJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158315
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2C)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661578,EMOLS-id_22700548,MCULE-8526418605,PC-id_3258298	557.685	ZNVATXAPNFXIHI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158298
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2C)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661355,EMOLS-id_11051788,MCULE-7272486165,PC-id_3552840	557.685	KJQBUSTZDYBCIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158299
CC[C@H](C)[C@H]1C(=O)N[C@@H](c2nc(nn2CC(=O)NCCCNCCCC(=O)N1)Cc1cc(c(cc1)OC)OC)C	PC-id_137334448,EMOLS-id_317460341	557.685	RZAZDJSXXWUDEI-ANSQWYIGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158300
CCN1CCc2c(C1)sc(c2CNC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)C(F)(F)F	SCHEMBL18501974	557.692	SDXQFVLYXSAIQP-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-158301
CC1CC=C(C=C1)S(=O)(=O)Nc1ccc2c(c1)NC(=O)/C/2=C/c1cc(c2-c1ccccc2OCCCN(C)C)C	PC-id_59301630,SCHEMBL13324690	557.703	AHOKHBFANKQRKH-TURZUDJPSA-N	00000010100011100110000000001010000000000000000000000000	31-01-158302
S(=O)(=O)(Nc1cc2NC(=O)C(=Cc3c4-c(c(c3)C)c(OCCCN(C)C)cccc4)c2cc1)C1=CCC(C=C1)C	PC-id_72251201	557.703	AHOKHBFANKQRKH-UHFFFAOYSA-N	00000010100011100110000000001010000000000000000000000000	31-01-158303
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc(OC)c2)C(=O)OC	PC-id_3450770	557.705	PPSLTVVCMGWPFD-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158304
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1)C(=O)OCC	PC-id_20181159	557.705	HWQSMNKOQOOMEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158305
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1)C(=O)OC	PC-id_20181152	557.705	IUMDIDCUYUOMGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158306
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc(c2)C)C(=O)OCC	PC-id_3561670	557.748	AYCBUVNDLMOROZ-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158307
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(cc(cc2C)C)C)cc1)C(=O)OC	PC-id_19678885	557.748	YTLPZNKSFJKLQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158308
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(NS(=O)(=O)c2ccc(cc2)C)cc1)C(=O)OCC	PC-id_20181233	557.748	GEJGJOBCELWMPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158309
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(cccc2)C)cc1)C(=O)OCC	PC-id_19678793	557.748	MHUYVFGGBIRJFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158310
O=C1CC(N)CC(c2csc(n2)CC(OC(=O)/C=CCC(CC(O1)C)C)/C=C(/C=C/C(=C/CN(C)C)/C)C)C	CMNPD4844	557.788	DKDMRGLQJSKICA-ZLJRYIKZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158311
O=C1OC(C=C(/C=C/C(=CCN(C)C)C)C)Cc2nc(cs2)C(C)CC(N)CC(=O)OC(C)CC(C)C/C=C/1	CNP0428357	557.788	DKDMRGLQJSKICA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158312
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn(Cc2cc(Cl)c(Cl)cc2)c1	PC-id_20173389	557.943	WFXUNKLAVMNUDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158313
Clc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn(Cc2c(Cl)cc(Cl)cc2)c1	PC-id_20174095	557.943	JEWDYIZGWNJZBM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158314
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nn(Cc2c(Cl)cc(Cl)cc2)c1	PC-id_20174088	557.943	LSMSOYBKHAGOSV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158316
Clc1c(sc2c1ccc([N+](=O)[O-])c2)C(=O)N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C#N	PC-id_22196802	558.072	WLNIHAZTDWDGCB-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-158317
Clc1c(cc(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc1C)C	PC-id_19641529	558.158	GMHBOXIKNWHEHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158318
Clc1cc(c(OCCCc2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)cc1)C	PC-id_20123346	558.158	QLBWUDHVMXBOPI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158319
CCOC(=O)c1nn2c(c1Br)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_86345672,SCHEMBL16099088	558.269	QAGRQWNFTBRJHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158320
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N[C@@H](C(=O)OC1C(C)C)CCCCN)O)/C	PC-id_155208522	558.305	LEYZYNIYIMGOMA-RAURBPADSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158321
C[C@@H]1/C=C/C(=O)NCC=CC(=C[C@H](CC(=O)CC2=NC(=CO2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)CCCCN)O)C	PC-id_161662872	558.305	LEYZYNIYIMGOMA-TUCPYZQCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158322
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC1(CNC1)O)Nc1c(cc(cc1)I)F)C	PC-id_91604977	558.408	OZOGNDRHLLFNNH-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-158323
CC(=O)NCCNC(=O)c1c(sc2c1CC(CNC2=O)(C)C)Nc1c(cc(cc1)I)F	PC-id_91343781	558.408	LDRWIIHISIHQKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158324
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CC(O)(C2)CN)cc1	SCHEMBL4515278,PC-id_69075132	558.408	WQEMAAWNZNKZCL-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-158325
CC1(Cc2c(C(=O)N(C1)C)sc(c2C(=O)NCC(C)(C)N)Nc1c(cc(cc1)I)F)C	PC-id_91257722	558.451	JJNWWCPTOJPPSE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158326
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC(C)(C)CN)Nc1c(cc(cc1)I)F)C	PC-id_90829165	558.451	NMYWRZZPRJRSDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158327
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCCN(C)C)Nc1c(cc(cc1)I)F)C	PC-id_91584215	558.451	SXNOXVMCAQQFOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158328
CNCCCN(C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I)C	PC-id_69070031,SCHEMBL4503709	558.451	SOWUHYLZNNSWRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158329
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)cc1	PC-id_21166765	558.514	KTDQJOBDAGNVAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158330
Clc1cc(S(=O)(=O)c2c(c([nH]c2C(=O)N)C(=O)N2CCCc3sc(SC)cc3C2)C)cc(Cl)c1	PC-id_68702378,SCHEMBL3583882	558.521	WQIOISRDDVZVFU-UHFFFAOYSA-N	00000000110000110100000000000010000000000000000000000000	31-01-158331
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(F)c(F)c(F)c(F)c1F)C)C(=O)OC	PC-id_20170578	558.587	DUXLDEMSDTVFMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158332
s1c2c(CCCCCC2)c(c1NC(=S)Nc1nn(Cc2c(F)c(F)c(F)c(F)c2F)cc1)C(=O)OCC	PC-id_20171302	558.587	YSMGBVYSFHVINX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158333
FOC1=CCc2c(C=C1NSC1CC1)[nH]c(c2)C(=O)c1cnn(c1N)c1cnc(cc1C)Oc1ccccc1C	PC-id_145211937	558.626	IEDMYOPPKZNUAS-UHFFFAOYSA-N	00100000100000111111100000000010000000000000000000000000	31-01-158334
O=C1NC(CC(C)C)C(=O)NC(COCc2nnn(CCCCC1NC(=O)OCc1ccccc1)c2)C(=O)OC	PC-id_78106203	558.627	MYOHIDZRXQRZAO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158335
O=C1N[C@@H](CC(C)C)C(=O)N[C@@H](COCc2nnn(CCCC[C@@H]1NC(=O)OCc1ccccc1)c2)C(=O)OC	PC-id_71545461	558.627	MYOHIDZRXQRZAO-VABKMULXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158336
CN1CCC(=NOC(=O)c2ccccc2)c2c(C1=O)n(cc2)CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F	PC-id_88403798,SCHEMBL9039780	558.643	FXZJIXXLDWVEFY-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-158337
O=C(NC(C(=O)NC(C(=O)NC1Cc2nnsc2CCNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21109869,PC-id_138730712	558.65	VCZYVFPKAUAENQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158338
O=C(NC(C(=O)NC(C(=O)NC1CCc2nnsc2CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21109766,PC-id_138730611	558.65	HOURQJLFSCZDRC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158339
O=C(NC(C(=O)NC(C(=O)NC1CCc2snnc2CNC(=O)C1=O)C(C)C)C(C)C)OCc1ccccc1	SCHEMBL21109208,PC-id_138730057	558.65	IGZYNMUYJDIBQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158340
CC1/C=C/C(=O)NC/C=C/C(=C/C(CC(=O)Cc2nc(co2)C(=O)NC(C(=O)OC1C(C)C)CCCCN)O)/C	PC-id_137477044,SCHEMBL20718269	558.666	LEYZYNIYIMGOMA-YBPCUTIDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158341
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)CCCCN)O)/C	SCHEMBL20717884,PC-id_137476770	558.666	LEYZYNIYIMGOMA-WJULKMGCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158342
NCCCCC1NC(=O)c2coc(n2)CC(=O)CC(O)C=C(/C=C/CNC(=O)/C=C/C(C(OC1=O)C(C)C)C)C	SCHEMBL20718268	558.666	LEYZYNIYIMGOMA-CCMHZDEPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158343
[Se]1CCSCCSCCSCCSCC[Se]c2sc(=S)sc12	PC-id_11800956	558.673	BITSISDDXKTFRP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158344
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC=C)C(=O)OCC	PC-id_19640636	558.688	JCIKILJKPHLLPY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158345
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(F)cc1)C)CC=C)C(=O)OC	PC-id_19640594	558.688	QPNUUMVPCORJBG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158346
CCCc1ccc(cc1[C@H]1CCCC(CC1)C/C/1=C/CCCc2n(/C=C1)nc(c2C(=O)Nc1ccc(cc1)F)N)F	SCHEMBL21319524,PC-id_139455192	558.704	APMQTJHRAKTKTL-KEODZRPPSA-N	00000000100000110111100000000010000000000000000000000000	31-01-158347
O(C(=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C)c1ccc(OC(=O)c2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1	PC-id_12122687	558.706	BRVPRRVTAMQBFJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158348
O(C(=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C)c1c(OC(=O)c2c3-c(c(c2)C)cc(C(C)C)ccc3C)cccc1	PC-id_12122689	558.706	GBODTHPSOMFZKZ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158349
O=CN1CC(CC(C1)C(=O)N1CCOCC1)N(C(=O)c1cc2c(n1CCc1ccccc1)C=CC=CC2)CC(C)C	PC-id_143914161	558.711	RFSSTDWPFIUGHX-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158350
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC)C(=O)OCC	PC-id_19640289	558.713	QBXQFSKPJKDUAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158351
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC)C(=O)OC	PC-id_19640211	558.713	HBPWXZDTKBJDID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158352
CCOC(=O)c1c(NC(=O)CSc2nnc(Cn3ccc(C)n3)n2CC2CCCO2)sc2CCCCCc12	TIMTEC423157,PC-id_17021017,MCULE-5550041847,EMOLS-id_4193104	558.716	RFQLBVVRXZHGMX-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-158353
CCOC(=O)c1c(NC(=O)CSc2nnc(Cn3ccc(C)n3)n2C[C@@H]2CCCO2)sc2c1CCCCC2	PC-id_97947053,ZINC22_97948238,CoCoCo_6581135	558.716	RFQLBVVRXZHGMX-SFHVURJKSA-N	00000010100000000101000000000010000000000000000000000000	31-01-158354
CCOC(=O)c1c(NC(=O)CSc2nnc(Cn3ccc(C)n3)n2C[C@H]2CCCO2)sc2c1CCCCC2	PC-id_97947054,ZINC22_97948239,CoCoCo_6581136	558.716	RFQLBVVRXZHGMX-GOSISDBHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-158355
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc(c(cc2)C)C)nn1)C)C(=O)OCC	PC-id_23960433	558.736	GHOFHLYVGSSJHQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158356
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CCc2ccccc2)nn1)C)C(=O)OCC	PC-id_23989119	558.736	BGCKKRGMRGYMDQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158357
Cc1sc2c(c1)C(F)(F)COCCC(CCCC2)C/C(=C/N(c1c(F)cccc1C1C=CNC1C)C)/C(=C)C	PC-id_144188908	558.741	YXKUWHIQYPETGS-PLRJNAJWSA-N	00000011100000110100100000000010000000000000000000000000	31-01-158358
c1(NC(=O)CCCCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)sc2c(CCCCCC2)c1C(=O)N	MCULE-8757140086,ZINC22_8432311,TIMTEC440604,EMOLS-id_4193106,CoCoCo_6786005,PC-id_4116911,SPECS-id_AK-968/12572156	558.756	RZIIZDCKBBFCSI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-158359
CCCCN(CC1CCN(CC1)C(=O)CCc1ccc(cc1C)C(=O)N1Cc2cnn(c2NC(=C)/C/1=CC=C)C)C	PC-id_143188987	558.757	APWHCZHGVBHKAC-WXMAUWIXSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158360
CC(c1ccc(c2-c(c1)c(C)cc2C(=O)Oc1c(c(c(c(c1C(C)(C)C)C(C)(C)C)O)C(C)(C)C)C(C)(C)C)C)C	PC-id_101252225	558.834	IGPLATZFUZGURS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158361
Ic1cc(Cl)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CCNCC2)cc1	PC-id_57401989	558.863	WYURAYNXEQDFHF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158362
[Si](CCOCOC1C(CCC(=C=CC(c2oc1c(c2)C)C(=C)C)C(=O)OCC[Si](C)(C)C)C(=C)C)(C)(C)C	PC-id_85174106	558.897	JDZOBFGFKDSNSB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-158363
[Si](CCOCO[C@@H]1[C@@H](CCC(=C=C[C@H](c2oc1c(c2)C)C(=C)C)C(=O)OCC[Si](C)(C)C)C(=C)C)(C)(C)C	PC-id_10530879	558.897	JDZOBFGFKDSNSB-WKRSUPLDSA-N	00000000100000000110000000000010000000000000000000000000	31-01-158364
[Si](CCOCO[C@H]1[C@@H](CCC(=C=C[C@H](c2oc1c(c2)C)C(=C)C)C(=O)OCC[Si](C)(C)C)C(=C)C)(C)(C)C	PC-id_10698080	558.897	JDZOBFGFKDSNSB-NZYFJZAJSA-N	00000000100000000110000000000010000000000000000000000000	31-01-158365
ClCCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750456	559.118	OQPXCKRIPDFLTF-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-158366
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccccc1Cl	ZINC22_408974358	559.118	YGPLLCDPXNZXRA-QXUDOOCXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158367
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccc(Cl)cc1	ZINC22_408968599	559.118	AFFYALOAAOLELU-QXUDOOCXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158368
CC1CCC(N1S(=O)(=O)C2=C3CCCCCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278815	559.172	RIMPVRIWJUOCJL-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-158369
CC1=CN=C(C=N1)OCC(=O)NC2CCC(CC2)(CCN3CCC4=C(CC3)SC(=N4)OCCC(F)(F)F)F	PC-id_148011850	559.224	IYZKGDKMKUFPAR-UHFFFAOYSA-N	00000000100010100101000000000010000000000000000000000000	31-01-158370
[Bi](c1c(Cl)c2-c(c1Cl)ccccc2)(c1ccccc1)c1ccccc1	PC-id_86021059	559.241	SEBXBKKJLLGGQQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158371
c1(NC(=O)COc2ccc(cc2Br)Br)sc2c(CCCCCCC2)c1C(=O)OCC	CoCoCo_6795321,ZINC22_97948242,MCULE-1214530248,PC-id_4494687,EMOLS-id_4193188,TIMTEC24800	559.311	AAIFFRLFQJTAQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158372
CCOCCOCCOCCNC(=O)COC1CCCCCC2=C1N=NN2CCOCCOCCOCCN	PC-id_164702932	559.358	VRCJPZQGZXXBIQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158373
CN([C@H](c1ccccc1OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)CC1OC(=O)C(=O)On2c1nnn2	PC-id_145824356	559.418	NTGNAZQLNSDOHU-RSXQAXDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158374
CCCN(C(=O)c1c(Nc2ccc(cc2F)I)sc2c1CC(C)(C)CNC2=O)CCO	SCHEMBL4507842,PC-id_69071975	559.436	HMIYYSQJFIHKOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158375
Clc1c(CS(=O)(=O)c2cc3/C(=C/c4[nH]c5c(CCCCC5)c4CCCO)/C(=O)Nc3cc2)c(Cl)ccc1	PC-id_60113703,SCHEMBL6696113	559.504	RBYBEWUPYAIWAR-QNGOZBTKSA-N	00000010100000110100000000001010000000000000000000000000	31-01-158376
Clc1c(CS(=O)(=O)c2cc3C(=Cc4[nH]c5c(CCCCC5)c4CCCO)C(=O)Nc3cc2)c(Cl)ccc1	PC-id_72651797	559.504	RBYBEWUPYAIWAR-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-158377
CN1C2CCC1CN(C2)C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700363	559.504	MREILIFHNKTIMG-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-158378
COC(=O)c1cc(c2-c1ccccc2)C(=O)CN(c1ccc(cc1)C)CC(=O)c1cc(c2-c1ccccc2)C(=O)OC	PC-id_101134816	559.608	XNOCPFTVZKAVKA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158379
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)F)sc2c1CCCCC2	PC-id_121040984	559.63	KVSLLCBIBBKIOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158380
CCOC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)F)sc2c1CCCCC2	PC-id_121042233	559.63	XWBJPUFZZXMWFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158381
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)F)sc2c1CCCCC2	PC-id_121044656	559.63	MACYRCDQBWWUJF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158382
C1CCN(CC1)CCN1CCCc2c(C1=O)cc([nH]2)CC=C1c2cc(c(cc2NC1=O)NCc1ccc(cc1)F)F	PC-id_89894231,SCHEMBL15375804	559.649	ZIWMABXFAODIJN-UHFFFAOYSA-N	00000010100010110100000000001010000000000000000000000000	31-01-158383
Cn1c2c(cc1C=C1c3cc(c(cc3NC1=O)NCc1ccc(cc1)F)F)C(=O)N(CCC2)CCN1CCCCC1	PC-id_89894233,SCHEMBL15375805	559.649	JUAQIVLZYBRITF-UHFFFAOYSA-N	00000010100010110100000000001010000000000000000000000000	31-01-158384
Fc1cc2C(=Cc3[nH]c4CCCN(CCN5CCCCC5)C(=O)c4c3C)C(=O)Nc2cc1NCc1ccc(F)cc1	PC-id_68527486	559.649	ICYLCGZCBUWDAQ-UHFFFAOYSA-N	00000010100010110100000000001010000000000000000000000000	31-01-158385
Fc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCCCC5)C(=O)c4c3C)/C(=O)Nc2cc1NCc1ccc(F)cc1	SCHEMBL3143605,PC-id_25116066	559.649	ICYLCGZCBUWDAQ-ULJHMMPZSA-N	00000010100010110100000000001010000000000000000000000000	31-01-158386
Fc1ccc(cc1)CNc1cc2NC(=O)/C(=Cc3cc4c(n3C)CCCN(C4=O)CCN3CCCCC3)/c2cc1F	PC-id_140621005	559.649	JUAQIVLZYBRITF-XYGWBWBKSA-N	00000010100010110100000000001010000000000000000000000000	31-01-158387
Fc1ccc(cc1)CNc1cc2NC(=O)/C(=CCc3[nH]c4c(c3)C(=O)N(CCC4)CCN3CCCCC3)/c2cc1F	SCHEMBL15375803	559.649	ZIWMABXFAODIJN-MYKKPKGFSA-N	00000010100010110100000000001010000000000000000000000000	31-01-158388
CC1C=CC=C2C1SC(=C2)C(=O)Nc1c(ccc(c1C)c1n[nH]c(=O)c(c1)Nc1nn2CCCN(Cc2c1)C)F	SCHEMBL19981856,PC-id_134355451	559.658	GRIMVUMAEFQERX-UHFFFAOYSA-N	00000011100011110101100000000110000000000000000000000000	31-01-158389
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)c1ccccc1)CC(=O)N[C@H]2Cc1ccccc1	PC-id_135093759,MCULE-2470503555,EMOLS-id_317386887,ZINC22_1704317274	559.659	IBGCWDJTXQRZGY-DCEDVJGZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158390
N#Cc1c(NC(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c([N+](=O)[O-])c2)sc2c1CCCCC2	CoCoCo_3773613,MCULE-4358063088,EMOLS-id_3036625,PC-id_2402903,ZINC22_3287397	559.659	KYUYXYBLHJCDFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158391
Cn1nc2c(c1)c(ccc2)C(=O)N=CC1CCC(CC1)CCN1CCc2c(C(C1)O)nc(s2)OCC(F)(F)C	PC-id_145451327	559.671	OVZVOMFMEVBPHM-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-158392
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3F)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4455071,MCULE-8812476587,EMOLS-id_11051738	559.676	IBIWZSPQEQBJJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158393
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(F)c3)n2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-7915302823,EMOLS-id_11051626,PC-id_4140833	559.676	DYTSOZIELFIUTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158394
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2cccc(c2)F)C)sc2c1CCCCC2	CoCoCo_2662384,PC-id_97991710	559.676	DYTSOZIELFIUTO-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158395
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccccc2F)C)sc2c1CCCCC2	CoCoCo_2662522,PC-id_97991743	559.676	IBIWZSPQEQBJJR-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158396
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2cccc(c2)F)C)sc2c1CCCCC2	PC-id_97991709,CoCoCo_2662383	559.676	DYTSOZIELFIUTO-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158397
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccccc2F)C)sc2c1CCCCC2	PC-id_97991744,CoCoCo_2662521	559.676	IBIWZSPQEQBJJR-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158398
O=C(c1ccccc1c1ccccc1)Nc1ccc(cc1OCc1cccnc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750517	559.677	JHBVIZIRTMPIQQ-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-158399
O=C(c1ccccc1c1ccccc1)Nc1ccc(cc1OCc1ccncc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750455	559.677	IGEXAWMWNYBPEC-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-158400
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC#C)cccc2)C(=O)OC	PC-id_5019857	559.678	WIGYXSFJZXPPGB-IMVLJIQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-158401
s1c2CCCCCCCCCCc2nc1NC(=O)CNc1c(C(=O)NN2C(=O)c3c(C2=O)cccc3)cccc1	PC-id_43904250	559.679	XBHKWZFGKKWOOH-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-158402
OS(=O)(=O)Nc1ccc(cc1)C[C@@H](c1csc(n1)c1ccccc1)NN1OCCOCCc2nc1sc2	PC-id_141339775	559.681	OJJOSQIXCZERGW-NRFANRHFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158403
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc(F)c2)C(=O)OCC	PC-id_4183569	559.696	SNYVQGWVRKWTQQ-WCTVFOPTSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158404
CC1CN(C(=O)CCCn2cc(COC1CN(C)C(=O)OC(C)(C)C)nn2)C(C)COCc1ccc(cc1)OC	PC-id_90447165,SCHEMBL13040226	559.697	YGHINIBJELKGCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158405
COc1ccc(cc1)COC[C@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(C(=O)OC(C)(C)C)C)C	CT-id_4103579,4103579_OpenMolecule,SCHEMBL16083472	559.697	YGHINIBJELKGCN-VRUMLPLGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158406
COc1ccc(cc1)COC[C@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(C(=O)OC(C)(C)C)C)C	PC-id_70834024,SCHEMBL13077124	559.697	KXPUHPDXOCLGDU-VRUMLPLGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158407
COc1ccc(cc1)COCC(N1CC(C)C(OCc2n(CCCC1=O)nnc2)CN(C(=O)OC(C)(C)C)C)C	SCHEMBL13040225,PC-id_49818984	559.697	KXPUHPDXOCLGDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158408
COc1ccc(cc1)COCC(N1C[C@H](C)C(OCc2cn(CCCC1=O)nn2)CN(C(=O)OC(C)(C)C)C)C	PC-id_70834240,SCHEMBL13077683	559.697	YGHINIBJELKGCN-OKFDZGCWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158409
CCNC(=O)c1ccccc1c1ccc(cc1)CN1C(=O)C(CCc2c1cc[nH]2)NC(=O)CC(NC[C@H](O)C)(C)C	SCHEMBL8910322,PC-id_67723717	559.699	IZXLPJWGXHVDIG-XJQHNOHDSA-N	00000000100000110100100000000010000000000000000000000000	31-01-158410
CCNC(=O)c1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1cc[nH]2)NC(=O)CC(NC[C@H](O)C)(C)C	PC-id_22870094,SCHEMBL8910328	559.699	IZXLPJWGXHVDIG-JIPXPUAJSA-N	00000000100000110100100000000010000000000000000000000000	31-01-158411
NC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)sc2c1CCCCC2	EMOLS-id_43822195,PC-id_16256130,CoCoCo_3250484,MCULE-2095592321,ZINC22_103033011	559.699	BCBQAIAYVDXKPF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158412
O=C1N(c2c([nH]cc2)CCC1NC(=O)CC(NCC(O)C)(C)C)Cc1ccc(cc1)c1c(cccc1)C(=O)NCC	PC-id_19067036	559.699	IZXLPJWGXHVDIG-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-158413
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661514,MCULE-2531245353,EMOLS-id_11051404,PC-id_4093205	559.701	GHGVFSTXLOPDLR-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-158414
CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cnn(C)c3)/C(=O)N2CCCOC)sc2c1CCCCC2	TIMTEC158894,ZINC22_101610738,EMOLS-id_27336862,PC-id_19576017	559.701	FWXFZGKWJWEHKW-CPNJWEJPSA-N	00000011100000000101000000000010000000000000000000000000	31-01-158415
N1(CCCOC)C(=O)C(=Cc2cnn(C)c2)N=C1SCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_71834701,MCULE-8350625808	559.701	FWXFZGKWJWEHKW-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-158416
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1ccc(cc1)C)C#N)C(=O)OCC	PC-id_24084202	559.702	SREBZGNMDRJWLB-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-158417
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c2ccc(CC)cc2)c1C#N)C#N)C(=O)OC	PC-id_23804426	559.702	QDOQKWKAQYVKRI-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-158418
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1ccc(cc1)C)C#N)C(=O)OC	PC-id_23775351	559.702	WAORJBIMMCULMW-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-158419
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1ccccc1)C#N)C(=O)OCC	PC-id_24056611	559.702	LBYHDFUUJBZPPN-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-158420
O=C1Nc2c(/C/1=C/c1[nH]c3c(c1CCCN1CCOCC1)CCCCC3)cc(cc2)S(=O)(=O)Cc1ccccc1	SCHEMBL6695651,PC-id_60113741	559.719	HJUKDAJOXOPSBJ-HFTWOUSFSA-N	00000010100010110101000000001010000000000000000000000000	31-01-158421
S(=O)(=O)(c1cc2C(=Cc3[nH]c4c(c3CCCN3CCOCC3)CCCCC4)C(=O)Nc2cc1)Cc1ccccc1	PC-id_72651830	559.719	HJUKDAJOXOPSBJ-UHFFFAOYSA-N	00000010100010110101000000001010000000000000000000000000	31-01-158422
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc(OC)c2)C(=O)OC	PC-id_4321873	559.721	NYMIDASGUUVFNO-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158423
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1)C(=O)OCC	PC-id_19678976	559.721	GUABHXLZTPRHLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158424
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(OC)cccc2)cc1)C(=O)OCC	PC-id_19679073	559.721	MVRDQMQDVJXCTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158425
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1)C(=O)OC	PC-id_19678969	559.721	VKBQWUZYGXFXDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158426
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(OC)cccc2)cc1)C(=O)OC	PC-id_19679066	559.721	WBIUHJIBSWVNRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158427
c1(NC(=S)NC(=O)c2ccc3c(c(C)c(n3Cc3ccccc3)C)c2)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC471047,ZINC22_2108553,PC-id_1763719,GD-id_ZINC02108553,EMOLS-id_5129991,MCULE-4010935639,CoCoCo_6925909,SPECS-id_AK-968/41024544	559.742	UBBCMQJEAISXIJ-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158428
COC(=O)c1c(NC(=S)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)sc2c1CCCCCC2	TIMTEC505203,MCULE-3597432677,EMOLS-id_6384265,ZINC22_1901003,PC-id_1635978,STOCK7S-73924	559.742	VNHLCLVZVLAVFZ-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158429
CC=C(C)C=C(C)CC(C)C(C)C(C1CC=CC=CC(CC(C(c2nc(cs2)C=C(C(=O)O1)C)CO)O)O)O	PC-id_88547634	559.757	TWFGJGYQEJZZIO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158430
OCC1C(O)CC(O)/C=C/C=CCC(OC(=O)/C(=C/c2nc1sc2)/C)C(C(C(C/C(=C/C(=C/C)/C)/C)C)C)O	SCHEMBL10000002	559.757	TWFGJGYQEJZZIO-JLEDVHQYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158431
Cc1cccc(Cn2c(C)c(/C=N/c3sc4c(c3C(=O)Nc3ccccc3C)CCCCCC4)c3ccccc23)c1	ZINC22_409019044	559.763	VMEACEZRZFMNIN-SEBMTOOBSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158432
Cc1cccc(Cn2c(C)c(/C=N/c3sc4c(c3C(=O)Nc3cccc(C)c3)CCCCCC4)c3ccccc23)c1	ZINC22_409018336	559.763	UQOVXDPENPMHHS-SEBMTOOBSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158433
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3c(C)n(Cc4ccccc4)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409015278	559.763	OLKZAUCSQONZFG-SEBMTOOBSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158434
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3c(C)n(Cc4ccccc4)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409018249	559.763	UBFOGVWFBPTWBQ-SEBMTOOBSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158435
Cc1cccc(NC(=O)c2c(/N=C/c3c(C)n(Cc4ccccc4)c4ccccc34)sc3c2CCCCCC3)c1C	ZINC22_409014537	559.763	MULMQQSNESXGTH-SEBMTOOBSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158436
Cc1ccc(NC(=O)c2c(/N=C/c3c(C)n(Cc4ccccc4)c4ccccc34)sc3c2CCCCCC3)cc1C	ZINC22_409011537	559.763	GBCFCJJXNJBACD-SEBMTOOBSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158437
Cc1ccc(NC(=O)c2c(/N=C/c3c(C)n(Cc4cccc(C)c4)c4ccccc34)sc3c2CCCCCC3)cc1	ZINC22_409018222	559.763	TVZQDUSJKLEVSA-SEBMTOOBSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158438
CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3ccc(C)s3)/C(=O)N2CC(C)C)sc2c1CCCCC2	EMOLS-id_26685479,ZINC22_2785177,CoCoCo_6581217,PC-id_17021030,TIMTEC249066	559.764	JTQCEUGYQDICHI-DEDYPNTBSA-N	00000011100100000101000000000010000000000000000000000000	31-01-158439
CCOC(=O)c1c(NC(=O)CSC2=N/C(=Cc3ccc(s3)C)/C(=O)N2CC(C)C)sc2c1CCCCC2	CoCoCo_6581218	559.764	JTQCEUGYQDICHI-MOSHPQCFSA-N	00000011100100000101000000000010000000000000000000000000	31-01-158440
N1(CC(C)C)C(=O)C(=Cc2ccc(C)s2)N=C1SCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_72178187,MCULE-3315724173	559.764	JTQCEUGYQDICHI-UHFFFAOYSA-N	00000011100100000101000000000010000000000000000000000000	31-01-158441
s1c2c(CCCCC2)c(c1NC(=O)CSCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCC	PC-id_3390929	559.823	CTQURFOKRIJYOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158442
Clc1ccc(Oc2cc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cc([N+](=O)[O-])c2)cc1	PC-id_20171120	560.085	SJZPYNAZHHMSAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158443
COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3sc4c(c3C#N)CCCCC4)c2)cc1Cl	CoCoCo_3774816,PC-id_2426802,MCULE-3937342739,ZINC22_3311042,EMOLS-id_48981238	560.085	OMXLQRJNBQLQBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158444
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)C)ccc(F)c1	PC-id_19640912	560.106	FJOVLOFWKSUJFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158445
Clc1sc(S(=O)(=O)N2C(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_44005384	560.106	LUSNYVAHCUKGIU-UHFFFAOYSA-N	00000010100100000100000000000010000000000000000000000000	31-01-158446
Clc1sc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OC)cc1	PC-id_44005856	560.106	SROCZXBOECXHTM-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-158447
Clc1sc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OC)cc1	PC-id_44028033	560.106	GGCPXWSTRJCZKC-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-158448
Clc1sc(S(=O)(=O)N2C(CCCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OC)cc1	PC-id_44029151	560.106	LOSARGUISLQEJH-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-158449
CC1=NN(C2=C1CCCCC2)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_160879663	560.24	VIXLUBVZSCMALB-JOCHJYFZSA-N	00000000100000111101100000000010000000000000000000000000	31-01-158450
CCCCCCC1(CCCCCC)COc2c(OC1)c(oc2I)I	PC-id_59012264,SCHEMBL13527938	560.249	OXZBBDQWXYWJIW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158451
s1c2c(CCCCCC2)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_5090617	561.409	AHXPQWFAFAWUSG-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-158521
COCC1(CCCC(C1CC)C(CCC(C(=O)Cn1nc2c(n1)C=CCC(C=C2)Cl)C)CC)CCC(CC)C	PC-id_144797324	560.254	IQJPXKATOWPLIE-UHFFFAOYSA-N	00000000100010000111000000000010000000000000000000000000	31-01-158452
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)CCC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4	PC-id_155171324	560.267	LAQOHJVHHACUOL-NRFANRHFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158453
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NC[C@H](N)C(=O)O)cc1	PC-id_69095110	560.381	GDCUEPUUONWWRF-LBPRGKRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158454
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NCC(N)C(=O)O)cc1	PC-id_69095112	560.381	GDCUEPUUONWWRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158455
COc1c(c(cc(c1)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1ccccc1)I)O	PC-id_137051392	560.447	CDIDAJUZPYNSRM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158456
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(I)c1O	ZINC22_408970988	560.447	CDIDAJUZPYNSRM-JFLMPSFJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158457
Brc1n2c(CN(CCC2)C(=O)CC(C)(C)C)c(n1)C(=O)NC(C(C)(C)C)C(=O)N1CC(F)(F)CC1	PC-id_68918455,SCHEMBL4116206	560.475	KGAPJTPEJIUJQP-UHFFFAOYSA-N	00000010100000000101000000000010000000000000000000000000	31-01-158458
Brc1n2c(CN(CCC2)C(=O)CC(C)(C)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)N1CC(F)(F)CC1	SCHEMBL4116202,PC-id_68918453	560.475	KGAPJTPEJIUJQP-GOSISDBHSA-N	00000010100000000101000000000010000000000000000000000000	31-01-158459
CCC(=Nc1cc(ccc1C)NC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(=O)[nH]c2-c1ccccc2	PC-id_144080624	560.49	APHYJBMQOXSUFH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158460
Brc1ccc(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)C)cc1	PC-id_19637960	560.53	XFJGQTRBWCHIBO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158461
Brc1ccc(OCc2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)cc1	PC-id_17304824	560.53	ZGLWDTNPRGVCBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158462
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)C)cc1	PC-id_19637850	560.53	SRAGRVSASQEOFA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158463
CC1=CC(=NC2(CC2)C(=O)O)c2c(C=CC=C1)[nH]cc2C(=O)c1c(c(ccc1)C(=C)S(=O)(=O)C=C1CCCC1)F	PC-id_137018902	560.636	VZMDQJQCHUJHLO-UHFFFAOYSA-N	00100010100000110110000000000010000000000000000000000000	31-01-158464
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)c1ccccn1)CC(=O)N[C@H]2Cc1ccccc1	MCULE-4186401697,ZINC22_1704328335,EMOLS-id_317342628,PC-id_135118348	560.647	YURRRCGGBOPGTN-VEXUSMLFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-158465
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)c1cccnc1)CC(=O)N[C@H]2Cc1ccccc1	ZINC22_1704321619,PC-id_135098458,MCULE-2651516219,EMOLS-id_317356701	560.647	CEEHQBGZJLOHQM-VEXUSMLFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-158466
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)c1ccncc1)CC(=O)N[C@H]2Cc1ccccc1	PC-id_135114192,MCULE-2343451468,EMOLS-id_317371032,ZINC22_1704324061	560.647	VYSBXVGDHUBOLI-VEXUSMLFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-158467
COc1cc(ccc1C(=O)Nc1cccc2c1nc(n2C(=O)OC(C)(C)C)C)C(=O)N1CCCCc2c1ccs2	PC-id_18378612,SCHEMBL7019411	560.664	JQQOXDQCIRZXJC-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-158468
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1	SCHEMBL1770441,PC-id_58256654	560.665	ZVFZMUPXZOILQD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158469
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc3OCOc3cc2)nn1)C(=O)OCC	PC-id_24051197	560.666	DDJPSEDYDJQRRZ-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-158470
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2occc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18910394	560.684	UJCKSAZVUBHNMX-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-158471
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC)C(=O)OC	PC-id_19731289	560.685	VHMBYFAEKDUIBC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158472
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)C)C(=O)OCC	PC-id_19731251	560.685	XBLDAFHHHFXCLO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158473
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)C)C(=O)OC	PC-id_19731197	560.685	SDRYCPKCVLXRLP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158474
CNC(=O)Nc1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1cc[nH]2)NC(=O)CC(NC[C@H](O)C)(C)C	SCHEMBL8908986,PC-id_22870085	560.687	QIKHRKYSFFVBTI-FQRUVTKNSA-N	00000000100000110100100000000010000000000000000000000000	31-01-158475
O=C1N(c2c([nH]cc2)CCC1NC(=O)CC(NCC(O)C)(C)C)Cc1ccc(cc1)c1c(NC(=O)NC)cccc1	PC-id_19067053	560.687	QIKHRKYSFFVBTI-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-158476
CCCc1nc2c(n1Cc1ccc(c(c1)CC)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	PC-id_69182475,SCHEMBL4771061	560.707	UPYDIIAQDIXDAA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158477
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2ccc(OC)cc2)nn1)C)C(=O)OCC	PC-id_24043483	560.709	VHRAMLKFHOULRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158478
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2ccc(OCC)cc2)nn1)C(=O)OCC	PC-id_24129182	560.709	ZAZRXUUTPWHASC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158479
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc(OC)ccc2)nn1)C)C(=O)OCC	PC-id_23906254	560.709	RDUGOUUIIPJUQX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158480
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2c(OC)cccc2)nn1)C)C(=O)OCC	PC-id_24104363	560.709	ZELSKJIXRRRCOR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158481
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2c(OCC)cccc2)nn1)C(=O)OCC	PC-id_24129835	560.709	VCIZXKIYPOBOFE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158482
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)Cc2ccc(OC)cc2)nn1)C(=O)OCC	PC-id_23765526	560.709	XIXXAIISEZBOJK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158483
OCCN1CCCn2c(C1)cc(n2)Nc1ncnc(c1)c1ccc(c(c1)C)CNC(=O)c1cnc(s1)C(C)(C)C	PC-id_118139581,SCHEMBL16794236	560.714	UISBLMDKTOMWEW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158484
C=C(Cn1c(CN(C(=O)/C=C/C2=C(F)C(=CCC=C2)F)C(C)C)nc2=CCC=CC=C=c12)CCN1CCCCCC1	PC-id_142265444	560.72	GEYHZGCNTMMKKF-ZFPGNHRBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158485
s1c2c(CCCCC2)c(c1NC(=O)CCCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C(=O)OC	PC-id_4292227	560.725	ASDMNCJOJACKBD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-158486
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C(=O)OCC	PC-id_3478211	560.725	ZQRZWWPCUGOTCA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-158487
s1c2c(CCCCCC2)c(c1NC(=O)CCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC)C(=O)OC	PC-id_4342632	560.725	HJZGEAHDKDZTGB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-158488
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C)C(=O)OCC	PC-id_20181414	560.725	LOCWXZWHCYSDGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158489
CCCCNC(=O)CCCC(NC(=O)[C@@H](NC(=O)c1cccc2-c(c1)ccn2)Cc1[nH]cnc1)CC1CCCCC1	PC-id_144060611	560.73	NSOLEKGSLCLRFH-BTMGADRYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-158490
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(Oc2ccccc2)ccc1)C)C(=O)OC	PC-id_19679565	560.73	JVGUAMDPCASSDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158491
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)CC)C(=O)OC	PC-id_19718289	560.752	JJYKWRCUSABRBC-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-158492
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)C)C(=O)OCC	PC-id_17299326	560.752	OGPFNHVUCFEYIQ-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-158493
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)C)C(=O)OC	PC-id_19717484	560.752	ADPMHNSJCWDVGG-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-158494
SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=NC(C(=O)N[C@H](C(=O)O1)Cc1ccccc1)(C)C)SC	PC-id_118613797	560.752	UHNQIAINACAIOC-DPQCGJRWSA-N	00000000100000110111000000000010000000000000000000000000	31-01-158495
SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)/C(=N/C(C(=O)N[C@H](C(=O)O1)Cc1ccccc1)(C)C)/SC	SCHEMBL17380052	560.752	UHNQIAINACAIOC-KEQXHMSYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-158496
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1c2c(n(Cc3c(ccc(c3)C)C)c1)cccc2)C)C(=O)OCC	PC-id_4231964	560.77	AJNXFUUFMSNZNU-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158497
CCCCCCCCCCCCNCC(CCCCCCCCCC1CCC(=O)c2c(N(C1=O)C)ncn2C)O	PC-id_141817352	560.854	SGKYLEVCJPJHKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158498
Ic1cc(Cl)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NCC(N)(C)C)cc1	PC-id_57401991	560.879	LTADFHIFJXCAPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158499
O=C(N=c1cc2n([nH]1)CCCN(Cc1ccccc1)C2)Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1	ZINC22_1875352221	561.022	XRRASOURHPZJSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158500
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1	PC-id_2408433,ZINC22_3292849,EMOLS-id_42587334,MCULE-8732718519,GD-id_ZINC03292849,CoCoCo_3784267	561.03	XRYGBOSBXOJSRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158501
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)c(OC)cc1	PC-id_17302000	561.116	FBQGWMJGDNIJOX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158502
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)c(OC)cc1	PC-id_19731702	561.116	FQFURKPVOGVODK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158503
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_20121843	561.116	ZKMDEUWAMUOHHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158504
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cc1)C	PC-id_17305553	561.116	DXYUONYUWUQKEI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158505
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cc1)C	PC-id_20122103	561.116	YEMRTPZFVAHSNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158506
Clc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_20121787	561.116	UYJGDPDRHOZLPW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158507
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)C)ccc1	PC-id_20122799	561.116	GFGQDWSGQFAXGW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158508
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cccc1	PC-id_19632060	561.116	NTEQKFITUXJCBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158509
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cc(cc1)C	PC-id_21164136	561.116	IKDPOYLOZHZAON-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158510
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)C)cccc1	PC-id_19638761	561.116	QFBBPVPHEHMDGK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158511
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)cccc1	PC-id_19632012	561.116	ZZMIIQQGGWXWTN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158512
CN1CCCc2c(C1)sc(n2)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(s1)Cl)C(=O)OC(C)(C)C	PC-id_140161594	561.116	CBOWRKCVFPWWME-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-158513
CN1CCCc2c(C1)sc(n2)C(=O)Nc1c(cccc1C(=O)OC(C)(C)C)CNC(=O)c1ccc(s1)Cl	PC-id_140161934	561.116	NPSHYNLCTWTLES-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-158514
CCCCS(=O)(=O)Nc1sc2c(c1C(=O)N(S(=O)(=O)CCCC)c1ccc(cc1)Cl)CCCCC2	PC-id_11671303,SCHEMBL4141028	561.177	USMRPXABVZLRCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158515
COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C(=O)N)CCCCC2	PC-id_20166134,ZINC22_59247875	561.31	AUHONUWSJNVJMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158516
[Sn](CCCC)(CCCC)(CCCC)c1ccc2-c(cc1)c(cc2C(=O)OCC)C(=O)OCC	PC-id_11307514	561.332	CDWNQTDRCVUAID-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158517
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N(CCO)CCO)cc1	PC-id_69073599,SCHEMBL4511537	561.409	NKWXTZBXLJOWFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158518
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N(CC(O)CO)C)cc1	SCHEMBL4512759,PC-id_69074117	561.409	VPWNFYPWKMWDOU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158519
s1c2c(CCCCC2)c(c1NC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(=O)OCCC	PC-id_4133648	561.409	UVHBRPMPRNGJTR-UHFFFAOYSA-N	00000000100010000100000000000010000000000000000000000000	31-01-158520
c1(NC(=S)NNC(=O)c2nn(cc2I)C)sc2c(CCCCCC2)c1C(=O)OCC	CoCoCo_990445,TIMTEC104341,PC-id_2205438,MCULE-4097302402,EMOLS-id_2469243	561.46	CNZABHLFZYABSK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158522
CCSCCNC(=O)c1c(sc2c1CC(CNC2=O)(C)C)Nc1c(cc(cc1)I)F	PC-id_91271312	561.475	JMBGAMLVVZUULX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158523
CCOC(=O)c1c(NC(=O)c2ccc(cc2)NC(=O)COc2ccc(cc2Cl)Cl)sc2c1CCCCC2	CoCoCo_5899222	561.477	OBCNRVKVQVITSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158524
Brc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_17254963	561.514	RUONIVCLXQRHCP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158525
c1(NC(=S)NC(=O)c2ccc(cc2)Cn2cc(cn2)Br)sc2c(CCCCC2)c1C(=O)OCC	MCULE-3806131421,PC-id_1763755,GD-id_ZINC02108588,CoCoCo_6598002,EMOLS-id_4193624,SPECS-id_AK-968/41024563,TIMTEC205839,ZINC22_2108588	561.514	HXTFXPKODBVBHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158526
CN1CCN(C(C1)(C)C)C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700428	561.52	ZRAJOGMHTXUAQP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158527
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(c4ccc(Br)cc4)o3)sc3c2CCCCCC3)c1	ZINC22_409014519	561.532	MOZYYTHZJOKNHZ-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-158528
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(c4ccc(Br)cc4)o3)sc3c2CCCCCC3)c1	ZINC22_409017597	561.532	SIXJPXKRRYPDBS-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-158529
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(c4ccc(Br)cc4)o3)sc3c2CCCCCC3)c1C	ZINC22_409015921	561.532	PNBVJRMKMKHTQV-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-158530
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(c4ccc(Br)cc4)o3)sc3c2CCCCCC3)cc1C	ZINC22_409019984	561.532	YMFZMXMDGONYRA-KCSSXMTESA-N	00000000101000110100100000000010000000000000000000000000	31-01-158531
CCOC(=O)Oc1c(N(C(=O)C)C(=O)C)c(c2-c1ccc(cc2)C(C(=O)OCC)C(=O)OCC)OC(=O)OCC	PC-id_17776031,SCHEMBL8337362	561.535	AEKQSZINFNEZCG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158532
Clc1c(sc2c1ccc(Cl)c2)C(=O)N1CCN(CC1)CC(=O)Nc1sc2c(CCCCCC2)c1C#N	PC-id_22196670	561.546	IERCLDJBCFQLBW-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-158533
Brc1ccc(Cn2nc(c(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)c2C)C)cc1	PC-id_19679258	561.557	SNOXVEHVYBAKHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158534
Brc1ccc(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)c2C)C)cc1	PC-id_19679251	561.557	ZLJODULQKSVIGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158535
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn(Cc2ccc(cc2)C)c1	PC-id_20173046	561.557	VUXDBKKITISSCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158536
Brc1c(n(nc1C)Cc1cc(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1)C	PC-id_20171398	561.557	IKYMRPMCZOFUBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158537
Brc1c(n(nc1C)Cc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1)C	PC-id_20171391	561.557	ZOMJOGLAABUZDB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158538
O=C(N1CCCn2c(C1)cc(n2)NC1CCNC(C1)C(C)(C)C)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700521	561.563	XXZBDHIEIHZQKY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158539
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OCCCN1C(=O)c2c(C1=O)cccc2)C	SCHEMBL8160131,PC-id_23296761	561.582	UGWHFXXUXZXSMX-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-158540
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)CC(=O)N(OCCN1C(=O)c2c(C1=O)cccc2)CC	SCHEMBL8165341,PC-id_23296709	561.582	COIGZKHRXQONSV-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-158541
Fc1cc2/C(=C/c3[nH]c4CCCN(CCN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1NCc1ccc(F)cc1	PC-id_25114694,SCHEMBL3136308	561.622	UWBRZILYHDJNON-KQWNVCNZSA-N	00000010100010110101000000001010000000000000000000000000	31-01-158542
Fc1cc2C(=Cc3[nH]c4CCCN(CCN5CCOCC5)C(=O)c4c3C)C(=O)Nc2cc1NCc1ccc(F)cc1	PC-id_68524847	561.622	UWBRZILYHDJNON-UHFFFAOYSA-N	00000010100010110101000000001010000000000000000000000000	31-01-158543
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)CC=C)C#N	PC-id_21164469	561.642	BURMGQASMQPPGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158544
FC(F)(F)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NCCn2nnc(CNCCCC1)c2)CCCCN)CCCCN	PC-id_73214064	561.644	YRHOVPZCNTYSSX-UFYCRDLUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158545
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2c(cccc2)C)cc1)C)C(=O)OCC	PC-id_4450722	561.649	RFPDBTAVKQPIJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158546
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2cc(ccc2)C)cc1)C)C(=O)OCC	PC-id_5086064	561.649	JWCVFGQLXWZLCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158547
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2cc(ccc2)C)cc1)C)C(=O)OCC	PC-id_9607079	561.649	JWCVFGQLXWZLCR-BIZUNTBRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158548
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2c(cccc2)C)cc1)C)C(=O)OCC	PC-id_9671215	561.649	RFPDBTAVKQPIJK-BIZUNTBRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158549
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2ccc(cc2)C)cccc1)C)C(=O)OCC	PC-id_19660983	561.649	VNMVKWOVLGTRRQ-BIZUNTBRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158550
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2ccc(cc2)C)cccc1)C)C(=O)OCC	PC-id_73635430	561.649	VNMVKWOVLGTRRQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158551
OCCc1c[nH]c2c1C(=NCC(=N2)Nc1ccc(c(c1)F)N1CCN(CC1)C)O/C(=C/C=CC(=C)NC(=O)C=C)/C	SCHEMBL18892874	561.65	SULKMHFDYOBBPY-ZZGDPMMOSA-N	00000000100010110111100000000010000000000000000000000000	31-01-158552
CCOc1ncc(cc1C(=O)Nc1c(nn2c1C(=O)C(CC)CCC2)C(=O)N)S(=O)(=O)N1CCN(CC1)CC	SCHEMBL6855742,PC-id_22605325	561.654	VUTDWRXELAVRQE-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-158553
Cn1nc2c(c1)c(ccc2)C(=O)N=CC1CCC(CC1)CCN1CCc2c(C(C1)F)nc(s2)OCC(F)(F)C	PC-id_145451925	561.662	RVOMIQHHZIHISL-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-158554
c1ccc2-c(cc1)nc(n2)Sc1nc(nc(n1)Sc1nc2-c(n1)ccccc2)Sc1nc2-c(n1)ccccc2	PC-id_102075901	561.663	PQUHGXSSZACTHM-UHFFFAOYSA-N	00000010100000100111000000000010000000000000000000000000	31-01-158555
c1ccc(cc1)CO[C@H]1[C@H](OCc2ccccc2)Cn2c([C@H]([C@H]1OCc1ccccc1)OCc1ccccc1)cnn2	PC-id_101383206	561.67	DUGNWMARRQDGCR-NDLNHBFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158556
O(C1C(OCc2ccccc2)C(OCc2ccccc2)c2n(nnc2)CC1OCc1ccccc1)Cc1ccccc1	PC-id_73014726	561.67	DUGNWMARRQDGCR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158557
O([C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)c2n(nnc2)C[C@H]1OCc1ccccc1)Cc1ccccc1	PC-id_11570396	561.67	DUGNWMARRQDGCR-HDBFZYDSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158558
O([C@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)c2n(nnc2)C[C@H]1OCc1ccccc1)Cc1ccccc1	PC-id_11599372	561.67	DUGNWMARRQDGCR-BAQBVXSRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158559
O([C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)c2n(nnc2)C[C@H]1OCc1ccccc1)Cc1ccccc1	PC-id_11699713	561.67	DUGNWMARRQDGCR-AOJHZZQJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158560
CCCc1nc2c(n1Cc1ccc(c(c1)CO)c1ccccc1S(=O)(=O)[N-]c1onc(c1C)C)C(=O)CCCC2	GD-id_ZINC26024580	561.672	OJJTWVDJNVJBBZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158561
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc(c2)C(=O)OC)C(=O)OC	PC-id_4249058	561.693	JIKMSXPPWFFSRH-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158562
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OC)cccc2)C(=O)OC	PC-id_4064600	561.693	RHUOROCOTLPQRP-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158563
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC=C)cccc2)C(=O)OC	PC-id_4081920	561.693	SBSBGIZNVLWESO-IMVLJIQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-158564
C/C=CC(=C/C(=CC)/CC1CCN(CC1)C(=O)C1C=Cn2c(C=C1OC)cnc2C(=O)C(=O)Nc1nccs1)C	PC-id_143403016	561.695	IVKACGNNZBWUEC-QJTSSNMBSA-N	00000000100010000111000000000010000000000000000000000000	31-01-158565
CN1CCCc2c(C1)sc(n2)C(=O)N[C@@H]1C[C@H](CC[C@@H]1NC(=S)C(=O)Nc1ccc(cn1)F)C(=O)N(C)C	SCHEMBL12095586,PC-id_57804524	561.695	UEPOPFJWEIYFIL-QILLFSRXSA-N	00000000100010101101000000000010000000000000000000000000	31-01-158566
s1c(nc2c1CN(CCC2)C)C(=O)NC1C(NC(=S)C(=O)Nc2ncc(F)cc2)CCC(C1)C(=O)N(C)C	PC-id_76615157	561.695	UEPOPFJWEIYFIL-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-158567
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2)cc1)C(=O)OCC	PC-id_20167581	561.697	KJVOAFBXOKONQB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158568
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2)cc1)C(=O)OC	PC-id_20167575	561.697	SAFWNEQVAXYITO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158569
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc(F)c2)C(=O)OCC	PC-id_4614535	561.712	WFQOVGOSNDGUDZ-WCTVFOPTSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158570
S(=O)(=O)(N(C(=O)N1CCCC1)C(C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C)c1ccc(cc1)C	PC-id_43995436	561.713	ZEHDOESXFVRTOQ-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-158571
C/C=C(/C=C(/CC(C1OC(=O)/C(=C/c2csc(n2)C(CO)C(CC(/C=C/C=CCC(C1O)O)O)O)/C)C)C)C	SCHEMBL9999999	561.73	HZVUHVJYPOXVRG-IVQJDYIOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158572
C/C=C(/C=C(/C[C@@H]([C@@H]1OC(=O)/C(=C/c2csc(n2)[C@@H](CO)[C@H](C[C@@H](/C=C/C=CC[C@@H]([C@H]1O)O)O)O)/C)C)C)C	UNPD151758	561.73	HZVUHVJYPOXVRG-SLAPGBEESA-N	00000000100000000111000000000010000000000000000000000000	31-01-158573
C/C=C(/C=C(/C[C@@H]([C@H]1OC(=O)/C(=C/c2csc(n2)[C@H](CO)[C@H](C[C@@H](/C=C/C=CC[C@@H]([C@H]1O)O)O)O)/C)C)C)C	UNPD98786	561.73	HZVUHVJYPOXVRG-UNMUBOPSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158574
O=C1OC(C/C=C/C=C/C(O)CC(O)C(c2nc(cs2)/C=C
/C)CO)C(O)C(O)C(C)CC(=CC(=CC)C)C	PC-id_74323047,CNP0261190	561.73	GBRJANIUYQBMHM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158575
O=C1OC(C(O)C/C=C/C=C/C(O)CC(O)C(c2nc(cs2)/C=C/1C)CO)C(O)C(C)CC(=CC(=CC)C)C	PC-id_74384065,CNP0291177	561.73	RVCYXBPLRYPDKC-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158576
O=C1OC(C(O)C(O)C/C=C/C=CC(O)CC(O)C(c2nc(cs2)/C=C
/C)CO)C(C)CC(=CC(=CC)C)C	CNP0210572,PC-id_74383943	561.73	HZVUHVJYPOXVRG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158577
OCC1C(O)CC(O)/C=C/C=CCC(C(OC(=O)/C(=C/c2nc1sc2)/C)C(C(C/C(=C/C(=C/C)/C)/C)C)O)O	SCHEMBL10000000	561.73	RVCYXBPLRYPDKC-IVQJDYIOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158578
OCC1C(O)CC(O)/C=C/C=CCC(OC(=O)/C(=C/c2nc1sc2)/C)C(C(C(C/C(=C/C(=C/C)/C)/C)C)O)O	SCHEMBL9999998	561.73	GBRJANIUYQBMHM-IVQJDYIOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158579
OC[C@H]1[C@@H](O)C[C@H](O)/C=C/C=CC[C@H]([C@@H](OC(=O)/C(=C/c2nc1sc2)/C)[C@H]([C@H](C/C(=C/C(=C/C)/C)/C)C)O)O	UNPD16352	561.73	RVCYXBPLRYPDKC-OKFPDVKSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158580
OC[C@@H]1[C@@H](O)C[C@@H](O)/C=C/C=CC[C@@H](OC(=O)/C(=Cc2nc1sc2)/C)[C@H]([C@H]([C@H](C/C(=C/C(=C/C)/C)/C)C)O)O	UNPD158632	561.73	GBRJANIUYQBMHM-KPDBKWLQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158581
OC[C@@H]1[C@@H](O)C[C@H](O)/C=C/C=CC[C@H](OC(=O)/C(=C/c2nc1sc2)/C)[C@H]([C@@H]([C@H](C/C(=C/C(=C/C)/C)/C)C)O)O	UNPD52939	561.73	GBRJANIUYQBMHM-UNMUBOPSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158582
s1c2nc(/C=C(C(=O)OC(C(C/C(=C/C(=C/C)/C)/C)C)C(O)C(O)CC=CC=CC(O)CC(O)C2CO)/C)c1	PC-id_24999805	561.73	HZVUHVJYPOXVRG-AUFICUBASA-N	00000000100000000111000000000010000000000000000000000000	31-01-158583
s1c2nc(/C=C(/C(=O)OC(C(C/C(=C/C(=C/C)/C)/C)C)C(O)C(O)CC=CC=CC(O)CC(O)C2CO)C)c1	PC-id_59317595	561.73	HZVUHVJYPOXVRG-KXUMLDGNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158584
s1c2nc(/C=C(/C(=O)OC(C(O)C(C/C(=C/C(=C/C)/C)/C)C)C(O)CC=CC=CC(O)CC(O)C2CO)C)c1	PC-id_25000119	561.73	RVCYXBPLRYPDKC-KXUMLDGNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158585
s1c2nc(/C=C(/C(=O)OC(C(O)C(O)C(C/C(=C/C(=C/C)/C)/C)C)C/C=C/C=C/C(O)CC(O)C2CO)C)c1	PC-id_24812810	561.73	GBRJANIUYQBMHM-LCGAKHBYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158586
s1c2nc(/C=C(C(=O)OC(C(O)C(O)C(C/C(=C/C(=CC)C)/C)C)CC=CC=CC(O)CC(O)C2CO)/C)c1	PC-id_25000118	561.73	GBRJANIUYQBMHM-JXIAKXBVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158587
s1c2nc(/C=C(/C(=O)OC(C(O)C(O)C(C/C(=C/C(=C/C)/C)/C)C)CC=CC=CC(O)CC(O)C2CO)C)c1	PC-id_59317598	561.73	GBRJANIUYQBMHM-KXUMLDGNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158588
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc(OC)c2)C(=O)OCC	PC-id_4686656	561.736	DJOCVAIBGRCTJU-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158589
CCCCCCCCCCCCCCCCCC(=O)Nc1cc(c2-c1c(ccc(c2)C(C)C)C)C=CC(C)(C)N=O	PC-id_87882148,SCHEMBL5711253	562.869	YKIGTXJYKIVOJB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158659
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc(OCC)c2)C(=O)OC	PC-id_3297148	561.736	UTXHPHHHCXGARA-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158590
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc(OCC)c2)C(=O)OCC	PC-id_3638368	561.736	YGTXWWGIPQWOQA-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158591
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOC)ccc(c2)C)C(=O)OC	PC-id_5164037	561.736	QNMXVBDHMXDYTQ-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158592
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOC)cccc2)C(=O)OCC	PC-id_4421838	561.736	YNGQNLGETNVDGW-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158593
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOCC)cccc2)C(=O)OC	PC-id_3602898	561.736	QKDKMQFYFXAEOA-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158594
CC(C)(C)OC(=O)NC1CCCCCNC=CC(=CC=Cc2cn(c1n2)COCC[Si](C)(C)C)NC(=O)OC	SCHEMBL2301665,PC-id_87368224	561.789	WLOFDISJGOJHMB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158595
COC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)Cl)sc2c1CCCCC2	PC-id_121041248	562.058	GUTILRWKLRWRRF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158596
COC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)Cl)sc2c1CCCCC2	PC-id_121043092	562.058	TWMOUQNWDDDIRZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158597
COC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)Cl)sc2c1CCCCC2	PC-id_121045111	562.058	ZPNRTBLNEWAZKA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158598
Clc1ccc(NC(=O)C(=O)NC2C(NC(=O)c3sc4c(n3)CCCN(C4)C)CC(CC2)C(=O)N(C)C)nc1	PC-id_76615234	562.084	LHXBIAHEOXFNIM-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-158599
Clc1ccc(NC(=O)C(=O)N[C@@H]2[C@H](NC(=O)c3sc4c(n3)CCCN(C4)C)C[C@H](CC2)C(=O)N(C)C)nc1	PC-id_57804632,SCHEMBL13395321	562.084	LHXBIAHEOXFNIM-QILLFSRXSA-N	00000000100010101101000000000010000000000000000000000000	31-01-158600
Clc1ccc(NC(=O)C(=O)N[C@H]2[C@H](NC(=O)c3sc4c(n3)CCCN(C4)C)C[C@H](CC2)C(=O)N(C)C)nc1	PC-id_68591137	562.084	LHXBIAHEOXFNIM-YXJHDRRASA-N	00000000100010101101000000000010000000000000000000000000	31-01-158601
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)n(c2cc1)CC#C	PC-id_3423761	562.124	NBSAOFNYTTZJND-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158602
Clc1c(CNC(=O)N2C(CC(OC)C2)C(=O)NCCN(C)C)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_75010545	562.124	FCHGZKUNZPQIBE-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-158603
CO[C@@H]1C[C@@H](C(=O)NCCN(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc34)cc2Cl)C1	PC-id_44393998,CHEMBL184696,BindingDB_PC-id_44393998	562.124	FCHGZKUNZPQIBE-OFNKIYASSA-N	00000010100000110100000000000010000000000000000000000000	31-01-158604
CSCC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C	PC-id_139605594	562.183	KJAORZYCUGSMRB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158605
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4	PC-id_155171402	562.246	PHMWIJPGEIACIP-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158606
CC(C(F)(F)F)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)CC4=CC5=CN(N=C5C=C4)C	PC-id_160340294	562.259	NFEFMSWMYMEFBV-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-158607
CC(C(F)(F)F)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)NC(=O)C4=CC=CC5=C4CN(C5=C)C	PC-id_160349212	562.259	QSTIJWFCKUCUFL-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-158608
C1CCCc2c(CC1)c(c(s2)N=Cc1cc(c(c(c1)Br)O)Br)C(=O)Nc1ccccc1	PC-id_137051391	562.317	FKJJMPUFZAMUJD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158609
O=C(Nc1ccccc1)c1c(/N=C/c2cc(Br)c(O)c(Br)c2)sc2c1CCCCCC2	ZINC22_408970987	562.317	FKJJMPUFZAMUJD-MZJWZYIUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158610
CCC(C)[C@H]1C2=CN(CC(=O)C[C@H](C(=O)N[C@H](C(=O)N1)CC3=CNC4=CC=CC=C43)CCCCCC(=O)CC)N=N2	PC-id_149596531	562.327	ZYXKWEJSJPSIIK-JQSPMVOUSA-N	00000000100000100101000001100010000000000000000000000000	31-01-158611
Brc1cc(Br)c(cc1C#Cc1csc2c1CC=CC=C2)C#Cc1csc2c1cccc2	PC-id_145522026	562.338	NGESOVFOKNQQFC-UHFFFAOYSA-N	00000000100000110110000001000010000000000000000000000000	31-01-158612
CC1(Cc2c(C(=O)[N+](C1)(CCO)C(=O)N)sc(c2C(=O)O)Nc1c(cc(cc1)I)F)C	PC-id_87681120,SCHEMBL4517917	562.374	XJUNCWQQFFKOGM-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-158613
Brc1n2c(CN(CCC2)C(=O)OC(C)(C)C)c(n1)C(=O)N[C@@H](C(C)(C)C)C(=O)N1CC(F)(F)CC1	SCHEMBL13798751,PC-id_57736937	562.448	UIWYWKWDZSLERM-MRXNPFEDSA-N	00000010100000000101000000000010000000000000000000000000	31-01-158614
Brc1ccc(cc1)NNC(=O)c1c(N/C(=N/S(=O)(=O)c2ccccc2)/[O-])sc2c1CCCCC2	GD-id_ZINC49708789	562.479	QCJYYJIEIPCKRS-UHFFFAOYSA-M	00000000100000110100000000000010000000000000000000000000	31-01-158615
C1CN(Cc2cc(nn2C1)CCN1CCC(CC1)C(=O)O)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16099744,PC-id_90460517	562.505	AKMQARATEZQHRN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158616
CC1(C(CC1NCc1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)O)C	PC-id_90461103,SCHEMBL16100478	562.505	RWVACMMDHXDECA-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-158617
CC(c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCC(CC1)C(=O)O	PC-id_90460516,SCHEMBL16099742	562.505	OXOUBEDPAJHHBL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158618
OC(=O)C1CCC(CC1)NCc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700378	562.505	AETIXBDTIZEDAD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158619
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)C)ccc(Cl)c1	PC-id_19639979	562.534	XJWGBQGXGKAPMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158620
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)C)cc(Cl)cc1	PC-id_19638420	562.534	SFFJRNRASNHJRG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158621
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)ccc(Cl)c1	PC-id_19633175	562.534	OOKVJQVOBVCUHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158622
Clc1c(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cc(Cl)cc1	PC-id_21167097	562.534	OOKQIJPQADFDQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158623
OC(=O)COc1cc(ccc1OCC(=O)O)C(=O)CNC(=O)c1cc2c(s1)CCCN(C2)C(=O)OC(C)(C)C	PC-id_67705473,SCHEMBL8832621	562.589	GHSLHNUSRKZVQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158624
OC(=O)COc1cc(ccc1OCC(=O)O)C(=O)CNC(=O)c1cc2c(s1)CCNC(C2)C(=O)OC(C)(C)C	SCHEMBL8833767,PC-id_67705681	562.589	NMTNLEKDVVWJKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158625
O[C@@H](CN1CCCc2c(C1=O)c(C)c(n2OS(=O)(=O)C)/C=C/1C(=O)Nc2c1cc(F)cc2)CN1CCOCC1	PC-id_140600445	562.61	BBSJCIPDGJMLHO-RXWSAZGZSA-N	00000010100010100101000000001010000000000000000000000000	31-01-158626
CCOC(=O)C1=C(C)NC(=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1sc2c(c1C(=O)OC)CCCCC2)C	CoCoCo_2980220,PC-id_42901395,ZINC22_103093699,MCULE-6641734171,EMOLS-id_43742736	562.632	PBOAMFKYORXBLK-UHFFFAOYSA-N	00000000100011000100000000000010000000000000000000000000	31-01-158627
N#CC(=C(C(=C(C#N)C#N)c1cc(c2-c1cccc(c2)C(C)C)C(=O)OC)c1ccc(s1)C#Cc1ccccc1)C#N	PC-id_102579718	562.64	OZTMXICEKVNYMB-UHFFFAOYSA-N	00000010100100110110000000000010000000000000000000000000	31-01-158628
CN1Cc2c(C1=O)cccc2C(=O)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451328	562.647	XXFPSTKCDJRXJV-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-158629
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC(F)F)cc1)CC=C)C(=O)OCC	PC-id_17265469	562.652	UPBMMSBWHLBBTR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158630
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC=C)C(=O)OC	PC-id_19635661	562.652	BNFPNRSSIGSMBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158631
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC(F)F)cc1)CC=C)C(=O)OC	PC-id_17307650	562.652	UKXSHGNBCURAAT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158632
Cc1c(onc1C)NS(=O)(=O)c1ccccc1c1c(cc(cc1)Cn1cnc2c1C(CCCC2)C(C)C=O)CO	SCHEMBL7850076,PC-id_88210876	562.68	JZFFEONFEBEPLN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158633
CCCc1nc2c(n1Cc1ccc(c3ccccc3S(=O)(=O)Nc3onc(C)c3C)c(CO)c1)C(=O)CCCC2	CHEMBL11528,PC-id_10166561,BindingDB_PC-id_10166561,SCHEMBL4764822	562.68	JBRKIZWDQQOPCK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158634
CCCc1nc2c(n1Cc1ccc(c(c1)CO)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	SCHEMBL4775334,PC-id_57072226	562.68	MSYZIWPAINWTFD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158635
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc([N+](=O)[O-])c2)C(=O)OC	PC-id_4295284	562.681	GNIBNUOGXMGIPL-LCUIJRPUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158636
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc([N+](=O)[O-])c2)C(=O)OCC	PC-id_4074357	562.681	IMFJKODGXBJOPJ-LCUIJRPUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158637
CCOc1c(sc2c1C(=Nc1c(cc(cc1)F)OC1CCOCC1)CCCC=C(CC2)C)C(NCCOO)O	PC-id_90871704	562.693	HIWBUHKZKBLATN-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-158638
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)Cc2ccc(F)cc2)nn1)C)C(=O)OCC	PC-id_23734156	562.7	QBGXOPZZHVIHSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158639
Cc1c(c(no1)C)CN1CC(NC(=O)c2nn(cc12)CCC1CCN(CC1)C(=O)OC(C)(C)C)Cc1ccccc1	BindingDB_PC-id_134149561,PC-id_134149561	562.703	IVEIIEBZNAQZCN-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158640
C/C=CC/C=C/1CN(Cc2c(N1)n(C)nc2)C(=O)c1ccc(c(c1)C)CCC(=O)N1CCN(CC1)C(=O)OC(C)C	PC-id_143188858	562.703	YOMGUEQOFQFGJV-ZPQZYGRJSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158641
CCCc1nc2c(n1Cc1ccc(c(c1)CC)c1ccccc1S(=O)(=O)NC1(C)C=NOC1C)C(=O)CCCC2	SCHEMBL6539962,PC-id_69818499	562.723	SNCKLGHFCKGZQZ-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-158642
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_18909174	562.743	QFBZHXDBZLYMQS-VHEBQXMUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158643
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=Cc2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73470692	562.743	QFBZHXDBZLYMQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158644
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CC2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18908945	562.743	PCLWSLLDNIOEIL-UHFFFAOYSA-N	00100000100000110100000000000010000000000000000000000000	31-01-158645
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/c2ccccc2)ccc1)CC)C(=O)OC	PC-id_18909175	562.743	MQQPAJBZYQSCAS-VHEBQXMUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158646
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=Cc2ccccc2)ccc1)CC)C(=O)OC	PC-id_73470693	562.743	MQQPAJBZYQSCAS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158647
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/c2ccccc2)ccc1)C)C(=O)OCC	PC-id_18909110	562.743	SPQGHYYUEVFFMW-VHEBQXMUSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158648
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=Cc2ccccc2)ccc1)C)C(=O)OCC	PC-id_73470628	562.743	SPQGHYYUEVFFMW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158649
CCN(CCCCn1ccc2c1CCCCN2C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)CC	PC-id_139709979	562.744	YRSRBFLSVPXRPG-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-158650
c1(NC(=O)CCSCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)N)sc2c(CCCCC2)c1C(=O)N	TIMTEC147498,EMOLS-id_4193944,MCULE-4351457360,PC-id_4066216,ZINC22_97948313,CoCoCo_6811819	562.768	FKFOMPMITWMQPG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-158651
CCCCN(C1CCN(CC1)C(=N)c1ccc(cc1)CN1CCN(CC1=O)S(=O)c1cc2c([nH]1)C=CC=CC2)C	PC-id_142132301	562.769	XNUWTZQNGGJCOX-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158652
Cc1c2-c(c(cc2C=Cc2cc(c3-c2c(ccc(c3)C(C)C)C)N(C)C(=O)C)C=[N+](C(C)(C)C)[O-])cc(cc1)C(C)C	PC-id_88955530	562.784	MQMAAUPLIRSSGG-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158653
CC(c1ccc(c2-c(c1)c(cc2/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)N(C(=O)C)C)/C=[N+](/C(C)(C)C)[O-])C)C	SCHEMBL12743830	562.784	MQMAAUPLIRSSGG-IJCJPNPOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158654
c1(sc2c(CCCCCC2)c1C(=O)OCC)NC(=S)N1CCC(CC1)C(O)(c1ccccc1)c1ccccc1	ZINC22_97948314,TIMTEC281821,CoCoCo_6812278,EMOLS-id_4193946,MCULE-4457612195,PC-id_17376370	562.786	LDYLAOTZASSDMZ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-158655
CC(CN(C(=O)c1ccc(c(c1)N(c1nc2ccsc2c(=O)cc1C)CCCN1CCCCC1)C)CC(C)C)C	PC-id_143172773	562.809	DJKZOLDBYXZOGJ-UHFFFAOYSA-N	00000000100010110110000000000010000000000000000000000000	31-01-158656
C(c1c2-c(c(C(C)(C)C)c1)ccccc2)(c1c2-c(c(C(C)(C)C)c1)ccccc2)c1c2-c(c(C(C)(C)C)c1)ccccc2	PC-id_15641208	562.825	SNHUEENDSRDUIW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158657
Ic1cc(Cl)c(Nc2sc3c(CC(CNC3=O)(C)C)c2/C(=N/CC(O)CO)/N)cc1	PC-id_69073924,SCHEMBL4512274	562.852	LWQZYVGPWNWWPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158658
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1ccc(cc1)Cl	EMOLS-id_317495457,MCULE-6350532015,PC-id_137339018	563.046	PULLKZXQPHAHGB-KFVVBQDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158660
C[C@H]1C(=O)N[C@H](C(=O)NCCN(Cc2cc(no2)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)Cc1cc(ccc1)Cl)C(C)C	PC-id_137340959	563.046	UOTQSRFHOABICV-KFVVBQDRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158661
COCC(=O)N1CC[C@@H]([C@@H](C1)NC(=O)c1nc2c(s1)CCN(CC2)C)NC(=O)C(=O)Nc1ccc(cc1)Cl	PC-id_142197685	563.069	RYZOIHTWVHXYPU-PKOBYXMFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158662
Clc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C1CC1	PC-id_20176740	563.099	HMUUVROHSPQBAS-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-158663
Clc1cc(c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc1)C	PC-id_17302511	563.132	BSAHNFZELBCKRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158664
Clc1c(cc(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc1)C	PC-id_19641157	563.132	PTBFSZYWZDDEIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158665
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)cc1C)C	PC-id_19634544	563.132	YRCQFPCURBACLO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158666
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)C)cc1)C	PC-id_17269152	563.132	UZHIQEOYTYYLIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158667
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cc1)C	PC-id_17302453	563.132	ZGLRVUFQKDFGKD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158668
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cc1)C	PC-id_17305546	563.132	ITHYGWIYOJTLFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158669
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)C)cc1)C	PC-id_19641118	563.132	OITUCMVDUAZGIW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158670
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)C)cc1C)C	PC-id_17307233	563.132	MYYBXMNNNDIHAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158671
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)cc1C)C	PC-id_19634583	563.132	DRICUKAYZXMGMQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158672
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cc1C)C	PC-id_17268839	563.132	AVJYSXOTFGPOHT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158673
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cc1)C	PC-id_17255021	563.132	FZDYGKVEWYEMJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158674
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cc1)C	PC-id_19634263	563.132	JNFNVGPWQFILSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158675
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)C)cc1)C	PC-id_19641043	563.132	ARBYMJPGRNPDJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158676
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)C)cc1)C	PC-id_20122199	563.132	WFFIDCYDCDZZHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158677
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc1)C	PC-id_20123229	563.132	AMHWBIYVNKNIHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158678
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)C)ccc1	PC-id_20122765	563.132	OMFBFFZTYYZWAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158679
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)C)ccc1	PC-id_20122679	563.132	DHPHTLKGUVQYLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158680
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc(cc1)C	PC-id_17305753	563.132	CKFYIDQVFUXQLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158681
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cc(cc1)C	PC-id_17264683	563.132	UMYXUMLMPQDLFH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158682
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)C)cc(cc1)C	PC-id_19635174	563.132	XAQSBMYYNMTYHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158683
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)C)cccc1	PC-id_17306599	563.132	LDCIBCNBUJDYQR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158684
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)C)cc(cc1)C	PC-id_19635097	563.132	AVGNXIPLHNMIHX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158685
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cc(cc1)C	PC-id_21164032	563.132	HODUPHCDMPJGEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158686
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)C)cccc1	PC-id_19638652	563.132	ZAMNMMJAZMEJFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158687
CO[C@H]1CN([C@@H](C1)C(=O)NCC[NH+](C)C)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2c1ccs2	GD-id_ZINC28370213	563.132	FCHGZKUNZPQIBE-OFNKIYASSA-O	00000010100000110100000000000010000000000000000000000000	31-01-158688
CC(C(F)(F)F)OC1=NC2=C(S1)CCN(CC2)CCC3CCC(CC3)CC(=O)C4=CC=CC5=C4CN(C5=O)C	PC-id_161933516	563.243	YJOSMTHAUPQWAV-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-158689
CN1CC2=C(C1=O)C=CC(=C2)CC(=O)CC3CCC(CC3)(CCN4CCC5=C(CC4)SC(=N5)OCC(F)F)F	PC-id_161922851	563.243	OIJLDCGYNPPNSW-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-158690
CC1CC=CN=C(c2c1[nH]cc2)CC1CCCC(CCC1)CCCC(=O)C(CCCc1cc(ccc1)Cl)C(C)C	PC-id_137168917	563.256	SYGIYGXWBILBBS-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-158691
Brc1cc(CC2c3n(cnc3CCN(C2=O)C)COCc2ccccc2)cc(Br)c1OC	PC-id_73292800	563.282	ATAWBRKGLMUCKW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158692
CCCN(CC1=CC=C(C=C1)CN(C)C(=O)OC(C)(C)C)C(=O)C2=CC3=C(C=C(S3)CCCC[N+]#[C-])N=C(C2)N	PC-id_162235039	563.293	JBXCLDSAMYHIJT-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-158693
COC(=O)c1c(NC(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)sc2c1CCCCC2	EMOLS-id_6380577,STOCK7S-73950,PC-id_2065301,ZINC22_2589253,MCULE-1084397149,TIMTEC468918	563.341	TYSNGCOLQGPPEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158694
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NOC[C@H](O)CO)cc1	PC-id_57400197	563.382	OBWAXLNPVMNAMM-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158695
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NOCC(O)CO)cc1	PC-id_76522967	563.382	OBWAXLNPVMNAMM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158696
OC(=O)C1CNCCN1C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700446	563.45	IIROVFYMQBSKHE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158697
OC(=O)C1NCCN(C1)C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700434	563.45	MVIOESMYFDNVKD-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158698
O=C(Nc1sc2c(c1C(=O)NNc1ccc(Br)cc1)CCCCC2)NS(=O)(=O)c1ccccc1	PC-id_45112456,CHEMBL576577	563.487	QCJYYJIEIPCKRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158699
OCCN1CCN(CC1)C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_118875565,SCHEMBL17509118	563.493	OXRYTYADFAANJP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158700
Clc1c(C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)ccc(Cl)c1	PC-id_18909272	563.516	PUFRSCQPSFJPGH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158701
Brc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cc1	PC-id_19729449	563.53	YXCPRGQLBNGQOT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158702
Brc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cc1	PC-id_19729385	563.53	QFIVOXOQSKZFLY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158703
c1(NC(=O)c2c(C)onc2c2c(cccc2Cl)Cl)sc2c(CCCCCCCCCC2)c1C(=O)OCC	MCULE-5469590168,SPECS-id_AK-968/15602061,TIMTEC342892,EMOLS-id_4194060,PC-id_3670226,ZINC22_2761880,CoCoCo_6786919	563.536	NUEXZOYGUATBNX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158704
O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)sc2c1CCCCCC2	ZINC22_408969285	563.537	KTAIWNIZLVGAOA-ALQBTCKLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158705
O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)sc2c1CCCCCC2	ZINC22_408969612	563.537	QSXMLPNTEOBVRO-ALQBTCKLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158706
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)sc2c1CCCCCC2	ZINC22_408972448	563.537	UAZRYEOJEGRQAP-ALQBTCKLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158707
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1)C(=O)OCC	PC-id_19678374	563.585	GGDYFMKSIARBHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158708
CC1C=CC=CC(=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(c1C(=O)N)CC(CC(C2)(C)C)(C)C	PC-id_144345771	563.599	IBMRUFKJVXKYPG-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-158709
CC(C)[C@@H]1NC(=O)c2ccc([nH]2)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N(C)C1=O	PC-id_44306568,CHEMBL431916,BindingDB_PC-id_44306568	563.607	QAPQCCRYLOSACY-BXWFABGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158710
O=C1N(C(CCCN=C(N)N)C(=O)NCC(=O)NC(C(=O)NCc2[nH]c(C(=O)NC1C(C)C)cc2)CC(=O)O)C	PC-id_74989131	563.607	QAPQCCRYLOSACY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158711
CC(OC(=O)C1=CN(CC(c2c1cc(n2C)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659347	563.608	JZTIFEDODMWBHG-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158712
CC(OC(=O)C1=CN(CC(c2c1c(cn2C)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659350	563.608	YVHWEKNKQWLLLU-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158713
CC(OC(=O)C1=CN(CC(c2c1n(C)c(c2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659797	563.608	MDLOTWUYGMDPPM-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158714
CC(OC(=O)C1=CN(CC(c2c1n(C)cc2C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659799	563.608	DPEBFEOJJMTJRF-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158715
CC(NC(=O)C1=C(C)N(CC(c2c1c(n[nH]2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659376	563.612	JIDZRBUSPOFXTB-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158716
CC(NC(=O)C1=C(C)N(CC(c2c1[nH]nc2C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659373	563.612	HWJZNZBVHRDIAQ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158717
CN1CCN(CC1)CCOc1ccc(cc1)C(=O)N1C=C(C(=O)OC(C)C)c2c(C(C1)(C)C)c(n[nH]2)C(F)(F)F	SCHEMBL19644144	563.612	IZPOQTWMVDLXLR-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158718
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1ccc(OC(=O)c2cc(OC)ccc2)cc1)C(=O)OCC	PC-id_4360795	563.621	JVMZSDKRLBXARJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158719
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2cc(OC)ccc2)cc1)C(=O)OCC	PC-id_9659258	563.621	JVMZSDKRLBXARJ-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158720
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2ccc(OC)cc2)ccc1)C(=O)OCC	PC-id_19660995	563.621	JMMFLFPLCJRMCE-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158721
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2ccc(OC)cc2)ccc1)C(=O)OCC	PC-id_73635442	563.621	JMMFLFPLCJRMCE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158722
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2c(OC)cccc2)ccc1)C(=O)OCC	PC-id_4249344	563.621	XGSQTORVKWJDAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158723
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2c(OC)cccc2)ccc1)C(=O)OCC	PC-id_9654803	563.621	XGSQTORVKWJDAR-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158724
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2cc(OC)ccc2)cccc1)C(=O)OCC	PC-id_4077581	563.621	VHVVAABAASPNJQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158725
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2cc(OC)ccc2)cccc1)C(=O)OCC	PC-id_9645601	563.621	VHVVAABAASPNJQ-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158726
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2c(OC)cccc2)cccc1)C(=O)OCC	PC-id_4592085	563.621	NGQOCFJQXPWAHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158727
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCc1ccncc1)Nc1c(cc(cc1)I)F)C	PC-id_91197360	564.414	TXSHOOBSSMZQRY-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-158794
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2c(OC)cccc2)cccc1)C(=O)OCC	PC-id_9678158	563.621	NGQOCFJQXPWAHF-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158728
COc1cc(ccc1OC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)/C=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3728040,PC-id_75408647	563.625	JEAXIHWVBYUART-XLNRJJMWSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158729
COc1cc(ccc1OC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)C=C(c1nnc2n1CCCCC2)C#N	PC-id_4441052,MCULE-9899885875,EMOLS-id_301000434	563.625	JEAXIHWVBYUART-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158730
COc1cc(ccc1OC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)/C=C(/c1nnc2n1CCCCC2)C#N	PC-id_6111265,CoCoCo_3728039	563.625	JEAXIHWVBYUART-OQKWZONESA-N	00000000100010110101000000000010000000000000000000000000	31-01-158731
C1(=O)N[C@H](CN(c2cn(nc12)CCc1ccccc1)Cc1c(cc(cc1)O)C)COC(=O)c1cn(c2c1cccc2)C	BindingDB_PC-id_44180169,PC-id_44180169,CHEMBL577979	563.646	DXCKVMPDYOKFRW-RUZDIDTESA-N	00000000100000110101000001100010000000000000000000000000	31-01-158732
C1(=O)N[C@@H](CN(c2cn(nc12)CCc1ccccc1)Cc1c(cc(cc1)O)C)COC(=O)c1cn(c2c1cccc2)C	CHEMBL578193,PC-id_45486093	563.646	DXCKVMPDYOKFRW-VWLOTQADSA-N	00000000100000110101000001100010000000000000000000000000	31-01-158733
COc1ccc(CN2C[C@H](COC(=O)c3cn(C)c4ccccc34)NC(=O)c3nn(CCc4ccccc4)cc23)cc1	CHEMBL577976,PC-id_45486087	563.646	UEGRKMHHOSOZIU-RUZDIDTESA-N	00000000100000110101000001100010000000000000000000000000	31-01-158734
O(CC1NC(=O)c2nn(cc2N(C1)Cc1c(cc(O)cc1)C)CCc1ccccc1)C(=O)c1c2c(n(c1)C)cccc2	PC-id_74942108	563.646	DXCKVMPDYOKFRW-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-158735
O(CC1NC(=O)c2nn(cc2N(C1)Cc1cc(c(O)cc1)C)CCc1ccccc1)C(=O)c1c2c(n(c1)C)cccc2	PC-id_75162156	563.646	WWJHBXUYCCFVRP-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-158736
O(CC1NC(=O)c2nn(cc2N(C1)Cc1ccc(OC)cc1)CCc1ccccc1)C(=O)c1c2c(n(c1)C)cccc2	PC-id_75116417	563.646	UEGRKMHHOSOZIU-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-158737
O(C[C@@H]1NC(=O)c2nn(cc2N(C1)Cc1cc(c(O)cc1)C)CCc1ccccc1)C(=O)c1c2c(n(c1)C)cccc2	PC-id_46175153	563.646	WWJHBXUYCCFVRP-RUZDIDTESA-N	00000000100000110101000001100010000000000000000000000000	31-01-158738
O=C1N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)CCc2nnn(C(=O)N[C@H]1CCCCN)c2)C=O	PC-id_73213918	563.653	YHXFTCVGOPNNSJ-FHWLQOOXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158739
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2ccccc2)cc1)C)C(=O)OCC	PC-id_4106434	563.665	VNPXXFIPNPAINU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158740
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2ccccc2)cc1)C)C(=O)OCC	PC-id_9647344	563.665	VNPXXFIPNPAINU-BIZUNTBRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158741
c1(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCN(CC2)C(=O)OCC)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_5016098,EMOLS-id_5472462,PC-id_4441980,ZINC22_11852985,MCULE-1640097740	563.686	LCIOJRYWTADKMA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158742
COc1cc(/C=CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc(c1OC)S(=O)(=O)N1CCc2c1cccc2	CoCoCo_3268411	563.688	CWQFGUTYUZHJJT-SEYXRHQNSA-N	00000010100000110100000000001010000000000000000000000000	31-01-158743
COc1cc(C=CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc(c1OC)S(=O)(=O)N1CCc2c1cccc2	MCULE-4248371000,PC-id_3295082,EMOLS-id_43827664	563.688	CWQFGUTYUZHJJT-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-158744
COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCCC3)cc(S(=O)(=O)N2CCc3ccccc23)c1OC	PC-id_2412148,ZINC22_3296525,CoCoCo_3268410	563.688	CWQFGUTYUZHJJT-OUKQBFOZSA-N	00000010100000110100000000001010000000000000000000000000	31-01-158745
s1c2c(CCCCC2)c(c1NC(=O)CSc1c2c(n(Cc3ccc([N+](=O)[O-])cc3)c1)cccc2)C(=O)OCC	PC-id_4115690	563.688	UADMAQMLSKTNBL-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158746
CCC(=O)CCCCC[C@@H]1NC(=O)Cn2nnc(c2)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)C(CC)C	PC-id_118401230,SCHEMBL17120938	563.691	RFJDKBNCLFSGED-QLPRNTKGSA-N	00000000100000100101000001100010000000000000000000000000	31-01-158747
CCC(=O)CCCCC[C@@H]1NC(=O)Cn2nnc(c2)C(NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)C(CC)C	SCHEMBL18745624	563.691	RFJDKBNCLFSGED-MXKVDPHFSA-N	00000000100000100101000001100010000000000000000000000000	31-01-158748
CCOC(=O)c1c(NC(=O)CSC2=N/C(=Cc3cnn(c3)C)/C(=O)N2c2ccccc2)sc2c1CCCCC2	CoCoCo_6581269	563.691	GDODPQQMEXTRAM-STZFKDTASA-N	00000011100000110101100000000010000000000000000000000000	31-01-158749
CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cnn(C)c3)/C(=O)N2c2ccccc2)sc2c1CCCCC2	TIMTEC164749,CoCoCo_6581268,ZINC22_2785574,PC-id_17021042,EMOLS-id_26685481	563.691	GDODPQQMEXTRAM-KGENOOAVSA-N	00000011100000110101100000000010000000000000000000000000	31-01-158750
N1(c2ccccc2)C(=O)C(=Cc2cnn(C)c2)N=C1SCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_72178179,MCULE-7061145785	563.691	GDODPQQMEXTRAM-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-158751
O1C(C(CN(C(CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	PC-id_75083071	563.691	UVZKFWVLTKDOOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158752
O1C(C(CN(C(CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	PC-id_75083089	563.691	DAHNEQAICFEUKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158753
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	CHEBI:112461,PC-id_54631264	563.691	UVZKFWVLTKDOOG-XJGOYTCSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158754
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	CHEBI:112502,PC-id_54631266	563.691	UVZKFWVLTKDOOG-RZIGYZOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158755
O1[C@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	CHEBI:113393,PC-id_54631256	563.691	UVZKFWVLTKDOOG-VPYPWEPUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158756
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	CHEBI:113488,PC-id_44617348	563.691	UVZKFWVLTKDOOG-TYPXCFOJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158757
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	PC-id_44498562,CHEBI:103817	563.691	UVZKFWVLTKDOOG-PFPZSTESSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158758
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	PC-id_54631254,CHEBI:96894	563.691	UVZKFWVLTKDOOG-DQCZWYHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158759
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	PC-id_54631265,CHEBI:112500	563.691	UVZKFWVLTKDOOG-RXYILKCJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158760
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nnc(C1)c2)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	PC-id_54631267,CHEBI:112508	563.691	UVZKFWVLTKDOOG-WENCSYSZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158761
O1[C@@H]([C@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	CHEBI:112501,PC-id_54631260	563.691	DAHNEQAICFEUKA-RXYILKCJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158762
O1[C@@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	CHEBI:112582,PC-id_44619743	563.691	DAHNEQAICFEUKA-DQCZWYHMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158763
O1[C@@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	CHEBI:113301,PC-id_54631257	563.691	DAHNEQAICFEUKA-RZIGYZOXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158764
O1[C@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	PC-id_44618361,CHEBI:112573	563.691	DAHNEQAICFEUKA-TYPXCFOJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158765
O1[C@H]([C@@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	PC-id_54631255,CHEBI:113519	563.691	DAHNEQAICFEUKA-XJGOYTCSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158766
O1[C@H]([C@@H](CN([C@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	PC-id_54631258,CHEBI:112623	563.691	DAHNEQAICFEUKA-WENCSYSZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158767
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)CCCn2nncc2C1)C)CN(Cc1ccc(cc1)C(=O)Nc1c(N)cccc1)C	PC-id_54631259,CHEBI:112594	563.691	DAHNEQAICFEUKA-PFPZSTESSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158768
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3cc[nH]n3)CCCNC(=O)Cn1nc(C)n2	PC-id_137339489,MCULE-4951521830,ZINC22_1772713398,EMOLS-id_317488553	563.694	JPKPJOQMDJPFRV-SQHAQQRYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158769
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3c[nH]cn3)CCCNC(=O)Cn1nc(C)n2	EMOLS-id_317510822,ZINC22_1772714449,MCULE-8071518389,PC-id_137344456	563.694	RAZJFMXTDDOHNQ-SQHAQQRYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158770
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccccc1C#N	ZINC22_408969914	563.709	WVDGQEUZNNKDIF-HPNXWYHWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158771
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1C)ccc(c2)C)C(=O)OCC	PC-id_3590821	563.709	KZTMIHQJHCRKKJ-IMVLJIQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-158772
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC)ccc(c2)C)C(=O)OC	PC-id_5048620	563.709	NYSPDHKIKGPHDK-IMVLJIQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-158773
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC)cccc2)C(=O)OCC	PC-id_3361115	563.709	XIWGHRQCYYBUHY-IMVLJIQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-158774
Cc1ccccc1NC(=O)c1c(/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)sc2c1CCCCCC2	ZINC22_409011120	563.727	DQXDEJIJPRPXSC-FDALDRLYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158775
Cc1cccc(NC(=O)c2c(/N=C/c3c(C)n(Cc4ccc(F)cc4)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409014526	563.727	MTPNZKJHUAQIDG-FDALDRLYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158776
Cc1ccc(NC(=O)c2c(/N=C/c3c(C)n(Cc4ccc(F)cc4)c4ccccc34)sc3c2CCCCCC3)cc1	ZINC22_409014535	563.727	MUJUIOXMRJEBJT-FDALDRLYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158777
CCCN(S(=O)(=O)c1ccc(cc1)F)[C@@H](C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2)CC	PC-id_143831957	563.747	QGNJUIHQGPLWPQ-HSZRJFAPSA-N	00000000100010110100000000000010000000000000000000000000	31-01-158778
CCOC(=O)c1c2-c(c(ccc(c2)C(C)C)C)c(c1)C=Cc1cc(c2-c1c(ccc(c2)C(C)C)C)C=[N+](C(C)(C)C)[O-]	PC-id_88955528	563.769	AQERKHJMWOSLEM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158779
CCOC(=O)c1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(C)(C)C)[O-]	SCHEMBL12743826	563.769	AQERKHJMWOSLEM-JDNCAUIASA-N	00000010100000000110000000000010000000000000000000000000	31-01-158780
s1c2CCCCCCc2c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC=C)C#N	PC-id_17306847	563.777	FHUSGDUYZGMIFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158781
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC(CO)O)Nc1c(cc(cc1)I)Cl)C	PC-id_91121092	563.837	ZYCRSZSZGOWJMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158782
Ic1cc(Cl)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NC[C@@H](O)CO)cc1	PC-id_57401990	563.837	ZYCRSZSZGOWJMO-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158783
CCCCCCCCCCCCC(N1CCN(CC1)CCCCC1CNC(=O)c2c(S1)sc(c2)C)CCC	PC-id_139603489	563.944	HYAWIOYWGSAKJO-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-158784
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)n(c2cc1)CC=C	PC-id_3580589	564.14	RLUSEPTZBKFKLK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158785
Clc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_19678610	564.14	ZMSXEIFIPHWMEE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158786
Clc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cc2)cc1	PC-id_19678603	564.14	MARARKGWQUUXTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158787
CC(C)NC(=O)C1=CN(CC(C2=C1N=C(S2)C(F)(F)F)(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4	PC-id_162232852	564.238	XVTPWJGQSLEVTE-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158788
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CCC4(CO)S(=O)(=O)NC5=C(C(=NO5)C)C)C(=O)CCCC2	PC-id_149149344	564.241	PRGMRMJIOQMQPX-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-158789
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)c(F)cc(Br)c1	PC-id_19679873	564.329	KQMQPCRXHPRIQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158790
CCCCOC1=NC(=N)C2=C(NC1)N(C(=C)N2)CC3=CC=C(C=C3)CN4CCC(CC4)CCNC(=O)C(C)(C)NC	PC-id_154682688	564.39	TWBLUHZOJUQPCN-UHFFFAOYSA-N	00000011000010110111000000000010000000000000000000000000	31-01-158791
CC(C)CC(C)C(CC(=O)c1nc2c(n1CCC1CC1)CC=CCC=C2)C1CC(CNC1)CC(=O)N1CCOCC1	PC-id_164066826	564.404	WLRDYYXUZCGDCV-UHFFFAOYSA-N	00100000100010000111000000000010000000000000000000000000	31-01-158792
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCc1ccccn1)Nc1c(cc(cc1)I)F)C	PC-id_91256767	564.414	OAOVNJNXVPJESR-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-158793
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCc1cnccc1)Nc1c(cc(cc1)I)F)C	PC-id_90898635	564.414	NOKCJIAFETYEQK-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-158795
Brc1c2sc(CS(=O)(=O)CCCCCCCCCCCCS(=O)(=O)C2)c1Br	PC-id_11801056	564.416	BSODBUUEOUIICK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158796
FC(F)Oc1ccc(C(=O)C[n+]2nc(n3c2CCCCC3)COc2c(ccc(c2)C)C(C)C)cc1.[Br-]	CHEMBL1501102	564.462	ULVKDIJASROLLP-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-158797
Clc1cc(S(=O)(=O)NC(C(=O)N2CCc3c(scc3)CC2)Cc2cc3[nH]cnc3cc2)cc(Cl)c1N	SCHEMBL9142524,PC-id_20089063	564.507	RWRZXCCLQBBCKG-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-158798
O=C(C(Oc1ccccc1)C)Nc1cc(c(c(c1)C(F)(F)F)OC1=CCc2c(C=C1)[nH]cc2C(C)C)C(F)(F)F	PC-id_142086320	564.519	KWJMSOJETIHLOM-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-158799
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)ccc(Cl)c1	PC-id_19639865	564.55	NANGRUJKKNPEMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158800
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc(Cl)cc1	PC-id_19638305	564.55	FZTULKJUUOAJBI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158801
Clc1c(OCCCc2n(CC)c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)ccc(Cl)c1	PC-id_20122995	564.55	PRYJKOCWDUAEGB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158802
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)ccc(Cl)c1	PC-id_20122903	564.55	YTJGYMDRZZMYCS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158803
O=CN(c1ccc(cc1)NC(=O)NSC(=C)S/C(=C(/Cl)C)/Cl)/C=CC1=Cc2nc[nH]c2CCCC1C	PC-id_142210600	564.55	JDNBHRJVWJLQSY-JTNJGMLRSA-N	00000000100000110111000000000010000000000000000000000000	31-01-158804
CC(C)[C@@H]1NC(=O)c2ccc(o2)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N(C)C1=O	BindingDB_PC-id_10437869,CHEMBL291637,PC-id_10437869	564.591	CBGQQPRPOXXUEZ-DOXZYTNZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158805
O=C1N(C(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCc2oc(C(=O)NC1C(C)C)cc2)C	PC-id_85142865	564.591	CBGQQPRPOXXUEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158806
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(OCCCN2CCOCC2)cc1	BindingDB-id_731690,SCHEMBL17777836,PC-id_121358770	564.597	NHHHNMMHGOFTOL-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158807
CC(OC(=O)C1=C(C)N(CC(c2c1c(n[nH]2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659379	564.597	ZTSDFEZHXKGHII-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158808
CC(OC(=O)C1=C(C)N(CC(c2c1[nH]nc2C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659369	564.597	LHPDSQSKPWSREK-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158809
CC(OC(=O)C1=CN(CC(c2c1n(C)c(n2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659950	564.597	CIKDRPQSJQZFOI-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158810
CC(OC(=O)C1=CN(CC(c2c1nc(n2C)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659944	564.597	KWAXOWRSKSVJQL-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158811
C(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)c1ccccc1	PC-id_15213349	568.873	UZYBJAFDFKXFPM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159142
CN1Cc2c(C1=O)cccc2C(=O)N=CC1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_145451252	564.62	DVTYRJFBMDNGQV-QRWMCTBCSA-N	00000010100010100101000000001010000000000000000000000000	31-01-158812
O=C(OCC1=CN=CCC=C1)NCC1=CCCc2c(C=C1)n(Cc1ccc(cc1)C(=O)Nc1ccccc1N)c(=O)[nH]2	PC-id_143247657	564.634	KBPSJUSFQQRIRY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-158813
C=NOCCOC1(CCCCCc2c1nnn2CCn1nnc(c1CCC(=O)O)COCCN=C(N)N)OCC	PC-id_140702324	564.638	FOPKNFJQZDIKCW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158814
C=NOCCOCCOC1CCCCCc2c1nnn2CCn1nnc(c1CCC(=O)O)COCCN=C(N)N	PC-id_140702334	564.638	GRENNWIHPNHOQR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158815
O=C(Nc1cc(nn1c1ccc(cc1)CN1S(=O)(=O)NC(=O)C1(C)C)C(C)(C)C)Nc1nc2c([nH]1)C=CCC=C2	PC-id_142921270	564.659	ZKINTHQYEARPHA-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-158816
CCN1Cc2c(C1=O)cccc2C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138670365	564.663	NUYYQFHALVFEDE-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-158817
CCN1Cc2c(C1=O)cccc2C(=O)N[C@@H]1CC[C@H](CC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21040704	564.663	NUYYQFHALVFEDE-WGSAOQKQSA-N	00000010100010100101000000001010000000000000000000000000	31-01-158818
CC(Oc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4C(=O)N(C)Cc34)CCc2s1)C(F)(F)F	SCHEMBL21042342,BindingDB-id_989425	564.663	FIEUCLRMVRKRIW-YIQCUVMYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-158819
CN1Cc2c(C1=O)cccc2C(=O)NC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC(C(F)(F)F)C	PC-id_138671917	564.663	FIEUCLRMVRKRIW-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-158820
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC)C(=O)OCC	PC-id_19635625	564.668	LRUFHWDLCZELIC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158821
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC)C(=O)OC	PC-id_17268150	564.668	NIDONKZJMWPTRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158822
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(cc2)S(=O)(=O)Cc1ccc(cc1)F)C	PC-id_145511764	564.671	UWXUNWBWQBUCRX-ULJHMMPZSA-N	00000010100000110100000000001010000000000000000000000000	31-01-158823
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/C(=O)O)ccc1)c1ccccc1)C(=O)OC	PC-id_18898190	564.672	ATTAEGVNXUKOQA-FOCLMDBBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158824
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=CC(=O)O)ccc1)c1ccccc1)C(=O)OC	PC-id_73470161	564.672	ATTAEGVNXUKOQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158825
S(=O)(=O)(N1C(C(c2c(scc2)C(O)C1)Cc1ccc(cc1)c1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_76454774	564.672	GSYIDNXVZLATJY-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-158826
S(=O)(=O)(N1[C@H]([C@@H](c2c(scc2)[C@@H](O)C1)Cc1ccc(cc1)c1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_56979488	564.672	GSYIDNXVZLATJY-KWXIBIRDSA-N	00000000100000110100100000000010000000000000000000000000	31-01-158827
S(=O)(=O)(N1[C@H]([C@H](c2c(scc2)[C@@H](O)C1)Cc1ccc(cc1)c1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_56995474	564.672	GSYIDNXVZLATJY-GMQQYTKMSA-N	00000000100000110100100000000010000000000000000000000000	31-01-158828
O=C1NC(C(CC)C)c2nnn(C(C(=O)NC(CCCCNC(=O)C)C(=O)NC1Cc1c3c([nH]c1)cccc3)C)c2	PC-id_75252877	564.679	FJIFTPCLLVZZPW-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-158829
O=C1N[C@@H]([C@H](CC)C)c2nnn([C@@H](C(=O)N[C@@H](CCCCNC(=O)C)C(=O)N[C@H]1Cc1c3c([nH]c1)cccc3)C)c2	PC-id_46915305	564.679	FJIFTPCLLVZZPW-MTNSXBBWSA-N	00000000100000100101000001100010000000000000000000000000	31-01-158830
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2occ(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C)(C)C	SCHEMBL12066533,PC-id_54754627	564.694	NWQYEUMKLJLYRB-GMIBQGTOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158831
S(C(=O)CCCCCCC)CCC=CC1OC(=O)C(NC(=O)C(NC(=O)c2nc(oc2)CNC(=O)C1)(C)C)C	PC-id_76187535	564.694	NWQYEUMKLJLYRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158832
OC[C@H](Cc1ccc(c(c1C(=O)C(C(C)C)N)C(=O)N(N1C(=O)CCC(c2c1ccs2)N)C)c1ccccc1)O	SCHEMBL8621033,PC-id_67643050	564.696	LJUIRVSWGIFIHN-JIZYPXFJSA-N	00000000100000110100100000000010000000000000000000000000	31-01-158833
s1c2C(N)CCC(=O)N(N(C(=O)c3c(c(CC(O)CO)ccc3c3ccccc3)C(=O)C(N)C(C)C)C)c2cc1	PC-id_77328622	564.696	LJUIRVSWGIFIHN-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-158834
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N/C(=CC)/C(=O)NCC(=O)O1	PC-id_60152473,SCHEMBL14980332	564.717	AFLHBSLVINJYCP-KKMFFYDDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158835
S(C(=O)CCCCCCC)CCC=CC1OC(=O)CNC(=O)C(=CC)NC(=O)c2nc(sc2)CNC(=O)C1	PC-id_72665135	564.717	AFLHBSLVINJYCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158836
Cn1cc(CN2CCC(CCn3cc4c(n3)C(=O)N[C@@H](Cc3ccccc3)CN4C(=O)C3CC3)CC2)c2ccccc12	CHEMBL570744,PC-id_45486051	564.72	KFEWWBCIQFXSAR-NDEPHWFRSA-N	00100000100010110101000001100010000000000000000000000000	31-01-158837
O=C(N1CC(NC(=O)c2nn(CCC3CCN(CC3)Cc3c4c(n(c3)C)cccc4)cc12)Cc1ccccc1)C1CC1	PC-id_75116402	564.72	KFEWWBCIQFXSAR-UHFFFAOYSA-N	00100000100010110101000001100010000000000000000000000000	31-01-158838
O(C(=O)c1cc(C(c2c3-c(c(C(C)(C)C)c2)ccccc3)c2c3-c(c(C(C)(C)C)c2)ccccc3)c2-c1ccccc2)C	PC-id_15209551	564.755	VUGTZURTKVYVDZ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158839
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCCC)ccc1)c1ccccc1)C(=O)OCC	PC-id_18909735	564.759	QRHMCSAMLCFYJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158840
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CC(C)(C)C)ccc1)c1ccccc1)C(=O)OC	PC-id_18911714	564.759	IPCMMZJXAUDPAT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158841
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C)ccc1)CC)C(=O)OCC	PC-id_18911288	564.759	URPSAVNOIVFLEG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158842
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(ccc2)C)ccc1)CC)C(=O)OCC	PC-id_18911420	564.759	IMHRYPQJNPRZRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158843
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(cc2)C)ccc1)CC)C(=O)OCC	PC-id_18911552	564.759	LORUVLKYCGICLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158844
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)Cc2ccccc2)ccc1)CC)C(=O)OCC	PC-id_18911024	564.759	MAPSNWMVHNIKQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158845
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC)ccc1)c1ccccc1)C(=O)OCC	PC-id_18909077	564.759	HUVRVUGOHVUICM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158846
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCCC)ccc1)c1ccccc1)C(=O)OC	PC-id_18909736	564.759	VZBIPIGZVQTKOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158847
COCCOC1=CCc2c(C(=C1)N(Sc1ccccn1)C)[nH]c(c2)C(=O)NCC(SCc1ccccc1)(C)C	PC-id_143660950	564.762	VROPJNATHCTBRI-UHFFFAOYSA-N	00000000100000111110000000000010000000000000000000000000	31-01-158848
Cc1cc(C)c(COc2ccc(/C=N/c3sc4c(c3C(=O)Nc3cc(C)ccc3C)CCCCCC4)cc2)c(C)c1	ZINC22_408972204	564.78	NIDQGQMZLPGQEZ-FDALDRLYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158849
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)CCC2CCCCC2)nn1)C)C(=O)OCC	PC-id_23908672	564.783	UKDCNKKWCATEHP-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-158850
[Si](OC1C(C(C)C)CCC(=CCCC(Cc2oc1c(c2)C(=O)OC)(C(=O)OC)C(=O)OC)C)(C(C)(C)C)(C)C	PC-id_85384454	564.783	KSZIOUCNPIHCAD-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-158851
[Si](O[C@@H]1[C@H](C(C)C)CC/C(=C/CCC(Cc2oc1c(c2)C(=O)OC)(C(=O)OC)C(=O)OC)/C)(C(C)(C)C)(C)C	PC-id_11060789	564.783	KSZIOUCNPIHCAD-LICJRBKBSA-N	00000000100000000110000000000010000000000000000000000000	31-01-158852
Cc1c2-c(c(ccc(c2)CC(C)C)C(C)CCC(CCC(C)c2c3-c(c(cc3)C)cc(cc2)CC(C)C)C(=O)O)cc1	PC-id_88322043	564.84	OKVWLYROGRVXQT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158853
O=C(Nc1c2-c(c(c1)C=CC(NO)(C)C)cc(C(C)C)ccc2C)CCCCCCCCCCCCCCCCC	PC-id_54094215	564.884	MVYPHBMAEBMVCO-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158854
Brc1ccc(cc1)C(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)OC(=O)c1cccc(c1)Cl	PC-id_102526296	564.897	QOXJXPJATUENQF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158855
Clc1ccc(cc1)Cn1c(Oc2cccc(c2)OC(F)(F)F)nc2c1OCN(C(=O)N2C)CCC1(C)CCC1	SCHEMBL18834506	564.984	QJUUZCYEUAEIKW-UHFFFAOYSA-N	00001000100000110101000000000010000000000000000000000000	31-01-158856
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)ccc1F	PC-id_21164806	565.08	LHTSVPYWSIIMEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158857
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)ccc(F)c1	PC-id_17266343	565.08	GWHFPPJRXYFPLG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158858
Clc1ccc(C(=O)Nc2sc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)nn2)cc1	PC-id_23996512	565.128	NGFCKINLYYKXQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158859
Clc1cc(C(=O)Nc2sc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)nn2)ccc1	PC-id_24160114	565.128	JYENQPWTLABWPB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158860
Clc1c(C(=O)Nc2sc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)nn2)cccc1	PC-id_23739771	565.128	FVHOJPSCBNPCDY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158861
Brc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2cc(Cl)c(Cl)cc2)c1	PC-id_19523727	565.214	ZKSXGSFFRVKDHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158862
Brc1c(NC(=O)Cn2nc(c3c2CCCCC3)C(F)(F)F)nn(Cc2c(Cl)cc(Cl)cc2)c1	PC-id_19523729	565.214	FIYMCKOUCZFWRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158863
CC(C)OC(=O)C1=CN(CC(C2=C1N=C(S2)C(F)(F)F)(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4	PC-id_162232851	565.222	JXCHPEPTMOKIEJ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158864
CC(C)OC(=O)C1=CN(CC(C2=C1SC(=N2)C(F)(F)F)(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4	PC-id_160570006	565.222	ISZUXHRDCPCRRB-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158865
[Br-].Brc1ccc(NCc2n3c([n+](n2)CC(=O)c2ccc([N+](=O)[O-])cc2)CCCCC3)cc1	CHEMBL1458722	565.258	CBEDGPUOOSPJRZ-UHFFFAOYSA-M	00000000100000110101000000000010000000000000000000000000	31-01-158866
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)Nc1cccc(n1)N)Nc1c(cc(cc1)I)F)C	PC-id_91086909	565.402	HUHKQUPVZUBRPG-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-158867
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)Nc1cnc(cc1)N)Nc1c(cc(cc1)I)F)C	PC-id_90787054	565.402	RDGRZTMEMXDCFM-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-158868
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NNc1ccccn1)CC(CNC2=O)(C)C	PC-id_69069625,SCHEMBL4502793	565.402	WZBNPVUATFATMJ-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-158869
Clc1cc(S(=O)(=O)NC(C(=O)N2CCc3scnc3CC2)Cc2cc3[nH]cnc3cc2)cc(Cl)c1N	PC-id_20089058,SCHEMBL9145966	565.495	UMEIBOUIPRPXQZ-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-158870
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc1	PC-id_21166563	565.503	UMUZNICKPHXWFB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158871
Brc1oc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_19724987	565.503	LNXBWUMZKSADSW-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-158872
Brc1oc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_19724884	565.503	QXFFOPLSIFPZOX-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-158873
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn(Cc2ccc(F)cc2)c1	PC-id_20172915	565.521	RSTRGQXYWUFEHO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158874
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn(Cc2c(F)cccc2)c1	PC-id_20172548	565.521	VRBUCMZZRXYWAS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158875
C#CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2C)CCCCCC3)cc1OC	ZINC22_409019822	565.521	XPRMLOHRHDITOY-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158876
C#CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2)CCCCCC3)cc1OC	ZINC22_409010204	565.521	BCUGKJXWXKAMIQ-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158877
C#CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCCCC3)cc1OC	ZINC22_409017539	565.521	RZYAOANSRMGJPJ-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158878
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)NOCCN1C(=O)c2c(C1=O)cccc2	SCHEMBL7313077	565.528	LRRLYVZACVNMHG-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-158879
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)ccc(Cl)c1	PC-id_19729070	565.535	XRXCJUMAZFYIJO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158880
Clc1c(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)ccc(Cl)c1	PC-id_17301304	565.535	MVUQLJCYVIYPLS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158881
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)ccc1Cl	PC-id_19729351	565.535	FGYZEMAJNCUGKG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158882
Clc1cc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)ccc1Cl	PC-id_19729307	565.535	UHKKXZUFAXGVFE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158883
Brc1cc2C(=Cc3[nH]c4c(c3CCC(=O)N3C(CCC3)CN3CCCC3)CCCCC4)C(=O)Nc2cc1	PC-id_72651832	565.544	HTEYXBNGARZQIB-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-158884
Brc1cc2/C(=C/c3[nH]c4c(c3CCC(=O)N3[C@@H](CCC3)CN3CCCC3)CCCCC4)/C(=O)Nc2cc1	PC-id_60113744	565.544	HTEYXBNGARZQIB-SLTFVWKPSA-N	00000010100000100100000000001010000000000000000000000000	31-01-158885
CCC1=C(C=c2c(=CC1)ncn2C)N(c1ccc(cc1OC(F)F)C1CN(C1)C(=O)Oc1ccc(cc1)[N+](=O)[O-])C	PC-id_145620185	565.568	IIJFXVGAFUBTOE-UHFFFAOYSA-N	00001000100000110111100000000010000000000000000000000000	31-01-158886
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1ccc(cc1)[N+](=O)[O-]	PC-id_141350352	565.569	XHHQNOVXUBLELR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158887
COCCN(C(=O)CONC(=O)Cc1ccc2-c(cc1)c(c(c2OC(=O)OCC)N)OC(=O)OCC)CCOC	SCHEMBL7304132	565.57	ORORZIFJRUNCRS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158888
Clc1cc(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2C)C)ccc1Cl	PC-id_19677761	565.578	CBYOEUXLTPSQED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158889
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2C)C)ccc(Cl)c1	PC-id_19677855	565.578	FYQSFPWCODHSBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158890
Clc1c(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2C)C)c(Cl)ccc1	PC-id_19679317	565.578	UGSXVVWIOQRPNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158891
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)c(OC)c(OC)c1)C(=O)OC	PC-id_5103341	565.616	OVYYCDPACDOAJL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-158892
CC(OC(=O)C1CN(CC(c2c1cc(n2C)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	PC-id_145409514	565.624	DCJDCWXIAOKKSV-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158893
CC(OC(=O)C1=CN(CC(c2c1c(ns2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCCCC1)C	SCHEMBL19659785	565.647	OUMKQAJONGSTAG-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158894
O=C1NC(C(=O)NC(COCc2nnn(CCCC(NC)C(=O)CC1(C)C)c2)C(=O)NC(C)(C)C(=O)OC)(C)C	PC-id_76799679	565.662	RLIQFGWCQIJHPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158895
O=C1NC(C(=O)N[C@@H](COCc2nnn(CCC[C@H](NC)C(=O)CC1(C)C)c2)C(=O)NC(C)(C)C(=O)OC)(C)C	PC-id_58481703	565.662	RLIQFGWCQIJHPW-ROUUACIJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158896
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1C)ccc(OC)c2)C(=O)OC	PC-id_4091710	565.682	GWVGDLLOCABNAG-SHHOIMCASA-N	00000000100000100101000001000010000000000000000000000000	31-01-158897
C=C/C=Cc1cc(nn1C)C(=O)Nc1ccc(cc1)C(=O)N1CCc2c(C(=C1C=C)C=C)sc(c2)C(=O)NC1CC1	PC-id_144119828	565.685	NZKOXQQHOKXIFW-HJWRWDBZSA-N	00100000100000110111000000000010000000000000000000000000	31-01-158898
CCCC(n1nc(c2c1C(CCCC2)Cc1ccc(cc1)F)C(=O)N[C@H](C(=O)OC)Cc1ccc(cc1)F)CCC	SCHEMBL14089550,PC-id_71067607	565.694	ROCLHNXZJGMVIB-PEFOLFAWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158899
Fc1ccc(CC2c3n(nc(c3CCCC2)C(=O)NC(Cc2ccc(F)cc2)C(=O)OC)C(CCC)CCC)cc1	PC-id_78000311	565.694	ROCLHNXZJGMVIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158900
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOC)ccc(F)c2)C(=O)OC	PC-id_4582651	565.7	HHCKYGONTDNWGY-FVDSYPCUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158901
Cc1c(ccc(c1)C(=O)N1C/C=CC=C/C(=C)Nc2c(C1)cnn2C)CNC(=O)N1CCN(CC1)Cc1ccccc1	SCHEMBL16325316,PC-id_137001249	565.708	JTBHZBJAUMSERW-OZDSWYPASA-N	00000000100010110111000000000010000000000000000000000000	31-01-158902
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)sc3c2CCCCCC3)c1	ZINC22_409017669	565.725	SRTGKGFMDQTOIO-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158903
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)sc3c2CCCCCC3)c1	ZINC22_409018261	565.725	UDZYTWSYYFUUNX-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158904
Cc1cccc(NC(=O)c2c(/N=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)sc3c2CCCCCC3)c1C	ZINC22_409015143	565.725	NYAYOPDICOWOFY-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158905
Cc1ccc(NC(=O)c2c(/N=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)sc3c2CCCCCC3)cc1C	ZINC22_409012469	565.725	IEQVVUPPGOHCEU-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158906
C/C=CC1=C(C=C)c2sc(cc2CCN1C(=O)c1ccc(cc1)NC(=O)c1ccccc1C(C)C)C(=O)NC1CC1	PC-id_144119701	565.725	QGSMOYAYCPGGTI-UITAMQMPSA-N	00100000100000110110000000000010000000000000000000000000	31-01-158907
O=C(N1C[C@H](Cc2ccccc2)NC(=O)c2c1cn(n2)CC[C@@H]1CC[N@H+](CC1)Cc1cn(c2c1cccc2)C)C1CC1	GD-id_ZINC49695334	565.728	KFEWWBCIQFXSAR-NDEPHWFRSA-O	00100000100010110101000001100010000000000000000000000000	31-01-158908
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1ccsc1)C#N)C(=O)OCC	PC-id_23917444	565.73	TXTUYAQJXQKMPY-UHFFFAOYSA-N	00000000100100101100100000000010000000000000000000000000	31-01-158909
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1sccc1)C#N)C(=O)OCC	PC-id_24111209	565.73	MFAHXAZCOOHHRM-UHFFFAOYSA-N	00000000100100101100100000000010000000000000000000000000	31-01-158910
COc1ccccc1CNC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1c[nH]c2c1C=CC=CC2	PC-id_141941412	565.746	XBZFXKPWRSKWBR-PGUFJCEWSA-N	00000000100000110110000000000010000000000000000000000000	31-01-158911
CC(Cn1nc2c(c1)N(CC(C)C)C[C@@H](N=C2SCC(=O)OC(C)(C)C)CCCCNC(=O)OC(C)(C)C)C	SCHEMBL3467302,PC-id_46840989	565.811	JKQCAZBHDAULGB-QFIPXVFZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158912
S(C1=NC(CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCNC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C	PC-id_75217858	565.811	JKQCAZBHDAULGB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158913
Clc1cc2CCOc2c(c1)C(CC(C(F)(F)F)(Cc1cc2c([nH]1)C=CC(=NC2)C(=O)N1CCOCC1)O)(C)C	PC-id_143024504	566.012	QIKBVDXOXKPJBL-UHFFFAOYSA-N	00000010100010100111000000001010000000000000000000000000	31-01-158914
C/C=NN/C=C(/C1=C(/C=C(/Cl)C)CC(c2n(C1)c(cn2)CC(F)(F)F)CC(=O)N1CCC(CC1)C(=C)C=O)C	PC-id_143851613	566.058	HRKRYSQDYGZUDP-MIDSIOJVSA-N	00000000100010000111000000000010000000000000000000000000	31-01-158915
O=C(C1CCCN1C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2c1ccs2)N(Cc1ccccn1)C	PC-id_142197464	566.114	APZMDYRLGYHFJI-UHFFFAOYSA-N	00000010100000111100000000000010000000000000000000000000	31-01-158916
Clc1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_20167444	566.116	DAKACQFIVDDCOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158917
Clc1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cc2)cc1	PC-id_20167437	566.116	WHMRDEDUXLWFLP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158918
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)CC	PC-id_4199651	566.156	HFDRNLGRZRLLLL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-158919
Clc1c(C#Cc2cc(c3-c2ccccc3)C#Cc2c(Cl)c3-c(c2Cl)ccccc3)c(c2-c1ccccc2)Cl	PC-id_101760881	566.303	DDWDFSSBVBVSDB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158920
C[C@@H]1C[C@@H]([C@H]([C@@H](C1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)NCC3=NC(=C(O3)C)C(=O)N(C[C@@H](C[C@@]2(C)O)C)C)C)O)C)O)N(C)C	PC-id_153311304	566.368	OYAOZUKXESXDST-DMVZODOLSA-N	00000000100010000101000000000010000000000000000000000000	31-01-158921
C[C@H](OC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_1875353047	566.466	VIKSWAOMIGXNME-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158922
C[C@@H](OC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC22_1875353048	566.466	VIKSWAOMIGXNME-MRXNPFEDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158923
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)c1nn2CCCN(Cc2c1)C(=O)OCc1cc(cc(c1)Cl)Cl	PC-id_90460777,SCHEMBL16100077	566.477	HNXYQAPWYNDJFJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158924
CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)OC)CCCCC2)NC(=O)c1cccc(c1)C(F)(F)F	MCULE-9725526009,STOCK7S-71073,EMOLS-id_30340283,PC-id_4922008	566.513	QPOMMQCIFWUXHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158925
CCOC(=O)[C@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1sc2c(c1C(=O)OC)CCCCC2)C(F)(F)F	PC-id_1626466,GD-id_ZINC01881440,ZINC22_1881440	566.513	QPOMMQCIFWUXHT-QFIPXVFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158926
CCOC(=O)[C@@](NC(=O)c1cccc(C(F)(F)F)c1)(Nc1sc2c(c1C(=O)OC)CCCCC2)C(F)(F)F	ZINC22_1881442,PC-id_1626467	566.513	QPOMMQCIFWUXHT-JOCHJYFZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158927
O=C1NCC(=O)NC(CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)NCC(=O)NC1CCCN=C(N)N)c2	PC-id_74957689	566.528	KDEMIHJBISKCHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158928
O=C1NCC(=O)N[C@@H](CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)NCC(=O)N[C@H]1CCCN=C(N)N)c2	PC-id_44227691	566.528	KDEMIHJBISKCHF-QWRGUYRKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158929
o1c(c2C[C@](C[C@H](OCc3ccc(OC)cc3)c3ccoc3)(C(=O)CC[C@H](OC(=O)C)c2c1)C(=O)OC)CC(=O)C	PC-id_11157329	566.596	MRUJHRZJMZQZQB-ZBQRRTSWSA-N	00000000101000110100000000000010000000000000000000000000	31-01-158930
o1c(c2C[C@@](C[C@H](OCc3ccc(OC)cc3)c3ccoc3)(C(=O)CC[C@H](OC(=O)C)c2c1)C(=O)OC)CC(=O)C	PC-id_11296012	566.596	MRUJHRZJMZQZQB-JJXOYXEQSA-N	00000000101000110100000000000010000000000000000000000000	31-01-158931
o1c(c2CC(CC(OCc3ccc(OC)cc3)c3ccoc3)(C(=O)CCC(OC(=O)C)c2c1)C(=O)OC)CC(=O)C	PC-id_72788311	566.596	MRUJHRZJMZQZQB-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-158932
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1ccc(c(c1)OC)O	PC-id_141350348	566.597	VRQURIUCJGYAGD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-158933
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(cc2)C#Cc1ccc2-c(c(cc2C(=O)OCC)C(=O)OCC)cc1)CC	PC-id_15482673	566.597	SHXHPSSOPQJQMS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-158934
CC(OC(C1=C(C)N(CC(c2c1c(n[nH]2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)O)C	SCHEMBL19659393	566.612	QLKHURSSDYYQGF-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158935
CC(OC(=O)C1=CN(CC(c2c1cc(s2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659792	566.632	DROJOBMJBZWQJJ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158936
CC(OC(=O)C1=CN(CC(c2c1c(cs2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659947	566.632	ZJHNNZVBLVDTNM-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158937
CC(OC(=O)C1=CN(CC(c2c1scc2C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659951	566.632	CLAITDCIWFWNNB-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158938
CC(OC(=O)C1=CN(CC(c2c1sc(c2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659952	566.632	BKVZXMRHZZYUPH-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158939
s1c2CCCCCCc2c(c1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1sc2CCCCCCc2c1C#N)C#N	PC-id_5200697	566.634	LTDRYYIDTDVNOO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-158940
CCN1Cc2c(C1=O)cccc2C(=O)N[C@H]1CC[C@@H](OC1)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041633,PC-id_138671257	566.636	ICMUGTCDUMVHSO-ZWKOTPCHSA-N	00000010100010100101000000001010000000000000000000000000	31-01-158941
CC(NC(=O)C1=CN(CC(c2c1nc(s2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659777	566.636	BFMZHOIBCCKDAE-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-158942
CCOC(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1cco2	PC-id_139750492	566.644	VKKLQXYEPXMATE-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-158943
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2ncc([nH]2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)Cc1cnc[nH]1)O)/C	PC-id_137476759,SCHEMBL20717873	566.649	KQRIKYZDYXCNHJ-BERJFMSYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158944
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)CC)C(=O)OC	PC-id_18897629	566.688	LJZMMMIOJQJVDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158945
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)C)C(=O)OCC	PC-id_18897564	566.688	GYGFLVWOOOJVQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158946
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC(=O)O)ccc1)c1ccccc1)C(=O)OC	PC-id_18898322	566.688	UTKARVZIUGLIIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158947
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)C)C(=O)OC	PC-id_18897565	566.688	KIWUTUJSMGVWGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158948
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)C(=O)OCC	PC-id_18897599	566.688	KDFVXDBSBAHKFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158949
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C/C=C(C)/C	PC-id_137336072,EMOLS-id_317461124,MCULE-1937052429	566.692	MOOASELGBPNNGU-NQHRYMMQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158950
CC(=NCC(n1nnc2c1CCCCCC2OCC(=O)NCCc1ccccc1)CN=C(/C(=NO)/C)C)/C(=NO)/C	PC-id_137081542	566.695	REGYTLKZZLOMDA-HISZYKGQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158951
Fc1ccc(cc1)N1CCN(CC1)CCCN1CCC(c2c(C1=O)ccn2Cc1ccccc1)OCc1ccccc1	SCHEMBL6781480,PC-id_22738100	566.708	XVOIJKWZGQXJAN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-158952
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(OC)cc2)ccc1)CC)C(=O)OCC	PC-id_18909966	566.731	DDBQGYGVCNGVFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158953
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)ccc2)ccc1)CC)C(=O)OCC	PC-id_18909834	566.731	UDSLAOYGLQMBQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158954
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)COc2ccccc2)ccc1)CC)C(=O)OCC	PC-id_18910890	566.731	CVGWGRDEZUMBAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158955
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(OC)cc2)ccc1)CC)C(=O)OC	PC-id_18909967	566.731	YNXQGPHJLLLKDD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158956
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(OC)cc2)ccc1)C)C(=O)OCC	PC-id_18909902	566.731	FHTYCILXFGBNJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158957
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)ccc2)ccc1)CC)C(=O)OC	PC-id_18909835	566.731	SBTQBYXWLFREDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158958
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)ccc2)ccc1)C)C(=O)OCC	PC-id_18909770	566.731	WCSBMMNTHHFKGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158959
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)COc2ccccc2)ccc1)CC)C(=O)OC	PC-id_18910891	566.731	IRTQEKXJVNTXDS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158960
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)COc2ccccc2)ccc1)C)C(=O)OCC	PC-id_18910826	566.731	CZEUCUBWCCAISA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-158961
CCCCCCCC(=O)SCC/C=C/C1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)NCC(=O)O1)(C)C	PC-id_144970257	566.733	UJHBZJYEJVADBB-PKNBQFBNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158962
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)NCC(=O)O1)(C)C	SCHEMBL19047198	566.733	UJHBZJYEJVADBB-SXAWMYDMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-158963
CCOC(=O)CC1C(=O)N(CCN1S(=O)c1sc2c(c1)C=CC(=CC2)C)Cc1ccc(cc1)C1=NCCN1C	PC-id_142132135	566.735	DCMFTWPKHYLJFD-UHFFFAOYSA-N	00000011100010110111100000000010000000000000000000000000	31-01-158964
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC=C)C(=O)OC	PC-id_19642318	566.735	ALYLMZQZLGQMRD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-158965
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C#CC(=O)O[C@@H](C2)/C=C(/C=C/C(=C/CN2CCOCC2)/C)C)/C)C)c1	PC-id_73055278	566.751	MACCQUMXBBWOAC-KHCQQFKBSA-N	00000000100010000111000000000010000000000000000000000000	31-01-158966
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)ccc1OCc1cccc(C)c1	ZINC22_409011090	566.753	DNXVKDGIJDOMON-QLQYKETESA-N	00000000100000110100000000000010000000000000000000000000	31-01-158967
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)ccc1OCc1cccc(C)c1	ZINC22_409014152	566.753	MIGSAJCZZGCVSI-QLQYKETESA-N	00000000100000110100000000000010000000000000000000000000	31-01-158968
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)ccc1OCc1cccc(C)c1	ZINC22_409011246	566.753	FLNRAUOVNKAUFM-QLQYKETESA-N	00000000100000110100000000000010000000000000000000000000	31-01-158969
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)ccc1OCc1cccc(C)c1	ZINC22_409016767	566.753	ROSLEPREAYBNHA-QLQYKETESA-N	00000000100000110100000000000010000000000000000000000000	31-01-158970
CC1=NCC=C(S1)CC(=O)NC1(C)CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC1CCC(C1)(F)F	PC-id_145451388	566.77	KQGPLYRQPJMWMK-UHFFFAOYSA-N	00000010100011000101000000000010000000000000000000000000	31-01-158971
CCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCCC)CCCCC	SCHEMBL9337432,PC-id_19102844	566.773	WDJOMEVGTFCWNA-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-158972
CCCCCCc1cc2c(cc(c1=O)CCCCCC)nc(n2Cc1ccc(cc1)c1ccccc1C(=O)O)CCC	PC-id_19102909,SCHEMBL9337385	566.773	HNHQFMPWQWVOOJ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-158973
N#C/C(=C
/NC2=CC=CC(C=C2S1)(C)C)/c1ccnc(n1)CC(C(c1ccc(cc1)CN1CCNCC1)(C)C)(C)C	PC-id_142822096	566.802	GTRIHWDELGMPJF-GKPLWNPISA-N	00000010000010110111000000000010000000000000000000000000	31-01-158974
CC1=C(SC2=C1SC[C@@H](C(=O)N2C)NCCC(=O)C3=NNC(=N3)CC4=CC=CC=C4)I	PC-id_163894397	567.026	QEIRDUGVUZWVRO-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158975
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)ccc1F	PC-id_17267545	567.096	IIJOTRGSWSHWKS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158976
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)ccc1F	PC-id_17304326	567.096	HSEWSPXOPVDLQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158977
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)ccc(F)c1	PC-id_19640791	567.096	POWKZKACLNUEEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158978
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)ccc(F)c1	PC-id_19634021	567.096	SNPKLUNWESNJNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158979
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)C)ccc(F)c1	PC-id_19640749	567.096	OAMXVTPKPNDGRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158980
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)ccc(F)c1	PC-id_19633949	567.096	MLUFGBIHXCQOCC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158981
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)C)ccc(F)c1	PC-id_19640673	567.096	QVZCCLXDXVMLEB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-158982
Clc1ccc(Cn2c3c(c(SC(C(=O)Nc4sc5c(CCCCC5)c4C(=O)OCC)C)c2)cccc3)cc1	PC-id_5074516	567.162	WLJAJSMMUWJMLP-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158983
Clc1c(Cn2c3c(c(SC(C(=O)Nc4sc5c(CCCCC5)c4C(=O)OCC)C)c2)cccc3)cccc1	PC-id_5077990	567.162	DFEVFVOYOQKHHH-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-158984
CC1=C(SC2=C1OC[C@H](N(C2)C(=O)CN(C(=O)[C@H]3CCC4=C3C=CC(=C4)NC(=O)NC)C(=O)N)C(F)(F)F)C	PC-id_147480409	567.176	FDNIRCNDXZKUIZ-HKUYNNGSSA-N	00000010100000100101000000001010000000000000000000000000	31-01-158985
CN1CC2=C(C1=O)C=CC=C2C(=O)CC3CCC(CC3)(CCN4CCC5=C(CC4)SC(=N5)OCC(F)(F)F)F	PC-id_160964503	567.218	SXKZHMFZSISIJR-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-158986
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N[C@H](C(=O)O[C@@H]1C(C)C)CC3=CN=CN3)O)/C	PC-id_161662871	567.269	MCQHNXCMVZGYTP-MQTSKOACSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158987
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)C	PC-id_155171320	567.306	HSVJAUSTCSGFHI-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158988
CCN1C2=C(CCCOCCCNC2=O)C(=N1)C[C@@H](C)COC(=O)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)C	PC-id_155171386	567.306	IESXEFUBZDWNFL-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-158989
CC1C/C(=C/C=CC(=O)OC(CC2=NC(=CS2)CCC(CC(=O)O1)NC=C)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	PC-id_148632922	567.313	YNHVWYXLPOCKNA-CJGYGGDASA-N	00000000100000000111000000000010000000000000000000000000	31-01-158990
CC1C/C(=C/C=CC(=O)OC(CC2=NC(=CS2)CCCC(C(=O)O1)NC=C)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	PC-id_161984549	567.313	RPBDCKAWDSLESD-UPNSFMGOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158991
C[C@H]1C/C(=C/C=CC(=O)O[C@@H](CC2=NC(=CS2)CCC[C@@H](C(=O)O1)NC=C)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	PC-id_149238323	567.313	RPBDCKAWDSLESD-XMOCMIDVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158992
C[C@H]1C/C(=C/C=CC(=O)O[C@@H](CC2=NC(=CS2)CCC[C@H](C(=O)O1)NC=C)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	PC-id_149238325	567.313	RPBDCKAWDSLESD-FFODUJMBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158993
C[C@H]1C/C(=C/C=CC(=O)O[C@@H](CC2=NC(=CS2)CC[C@H](CC(=O)O1)NC=C)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	PC-id_148632920	567.313	YNHVWYXLPOCKNA-FAYCDXRZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158994
CCNC/C=C(C)/C=C/C(=C/C1CC2=NC(=CS2)CCCC(C(=O)OC(C/C(=C/C=CC(=O)O1)/C)C)NC=C)/C	PC-id_161227940	567.313	WOUGKGRKWZQXJK-UPNSFMGOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158995
CCNC/C=C(C)/C=C/C(=C/[C@@H]1CC2=NC(=CS2)CCC[C@H](C(=O)O[C@H](C/C(=C/C=CC(=O)O1)/C)C)NC=C)/C	PC-id_161227942	567.313	WOUGKGRKWZQXJK-FFODUJMBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158996
CCNC/C=C(C)/C=C/C(=C/[C@@H]1CC2=NC(=CS2)CCC[C@@H](C(=O)O[C@H](C/C(=C/C=CC(=O)O1)/C)C)NC=C)/C	PC-id_161227944	567.313	WOUGKGRKWZQXJK-XMOCMIDVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-158997
s1c2c(CCCCC2)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_5109701	567.389	PHXHRKWASBLODH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-158998
s1c2c(CCCCCC2)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_4292232	567.389	RSVLUMYLSIUNJJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-158999
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCc1cncn1C)Nc1c(cc(cc1)I)F)C	PC-id_90745516	567.418	SBFVKAJCILZBRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159000
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCc1cnc[nH]1)Nc1c(cc(cc1)I)F)C	PC-id_86635110	567.418	CSVAUHAFTYFDES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159001
Brc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC)C	PC-id_20176679	567.486	VLXLYFDWODNCKE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159002
Brc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC)C	PC-id_20176672	567.486	DKKOHNLVVXKXSR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159003
CCC1(c2c(CCCC1(CC)CC)nc(n2Cc1ccc(c(c1)Cl)Cl)C(C)C)C(C(=O)O)(C(=O)O)C(=O)O	PC-id_67434702,SCHEMBL2511682	567.501	RFXNJNXYQCVTNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159004
CCOC(=O)C(C1CCCCc2c1n(Cc1ccc(c(c1)Cl)Cl)c(n2)C(C)C)(C(=O)OCC)C(=O)OCC	SCHEMBL2511681,PC-id_58460159	567.501	NIDLUBWALLCPHL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159005
Brc1oc(c2n(CCC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)cc1	PC-id_19725141	567.519	DPBIUVBQFUCGRW-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-159006
Brc1oc(c2n(C(C)C)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)cc1	PC-id_19725295	567.519	OXNWKUZQIGLJOW-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-159007
Brc1oc(c2n(CCC)c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)cc1	PC-id_19725039	567.519	FOFUDIQKSKAFKN-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-159008
Brc1oc(c2n(C(C)C)c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)cc1	PC-id_19725193	567.519	GTDYVEXUGAOOCP-UHFFFAOYSA-N	00000000101000000101100000000010000000000000000000000000	31-01-159009
C=CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC	ZINC22_408971367	567.537	JAHVIVHRYRQOTH-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-159010
CCCCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)Nc1cc(C)ccc1C)CCCCCC2	ZINC22_408972628	567.58	PZZCNHQUNQGZTI-BIZUNTBRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159011
Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)O)CNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1cccc(c1)C(=N)N	PC-id_139696376	567.617	RTISICVZMLGNJF-NRFANRHFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159012
CC(OC(=O)C1=CN(CC(c2c1c(ns2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659784	567.62	WCPBRLTYTWSWQD-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159013
CC(OC(=O)C1=CN(CC(c2c1nc(s2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659783	567.62	VLXSLLPXZYAFMK-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159014
CC(OC(=O)C1=CN(CC(c2c1sc(n2)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659779	567.62	ZXFDVQMSOHDMQD-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159015
CC(OC(=O)C1=CN(CC(c2c1snc2C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	SCHEMBL19659619	567.62	BLEQJNNQYUALRY-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159016
c12C=C(CC(COc1n(nc2C(F)(F)F)C)NC(c1ccccc1)(c1ccccc1)c1ccccc1)S(=O)(=O)C	EMOLS-id_264817783,MCULE-2142319454	567.622	IDHUARUHGPUQAC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159017
Cn1c2c(C=C(C(CO2)CNC(c2ccccc2)(c2ccccc2)c2ccccc2)S(=O)(=O)C)c(n1)C(F)(F)F	PC-id_136590496,EMOLS-id_323943143	567.622	NTGPJSNPKZEOIC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159018
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OCc2ccc(F)cc2)cc1)C(=O)OCC	PC-id_4525814	567.628	PGAFNPRZYXOPME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159019
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OCc2ccc(F)cc2)cc1)C(=O)OCC	PC-id_9675615	567.628	PGAFNPRZYXOPME-WCMJOSRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159020
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)NC(C(=O)O[C@@H]1C(C)C)Cc1cnc[nH]1)O)/C	SCHEMBL20717922,PC-id_137476796	567.633	MCQHNXCMVZGYTP-VVWXOPRWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159021
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)Cc1cnc[nH]1)O)/C	SCHEMBL20717900,PC-id_137476780	567.633	MCQHNXCMVZGYTP-BERJFMSYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159022
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC)ccc(F)c2)C(=O)OC	PC-id_4181099	567.673	MMOHQLJKNUPYMG-SOYKGTTHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159023
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1C)ccc(F)c2)C(=O)OCC	PC-id_4417633	567.673	MPJYMFHIWLPEGQ-SOYKGTTHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159024
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)CC)C(=O)OC	PC-id_18910757	567.676	KPYIUHQRVOSWOB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159025
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)C)C(=O)OCC	PC-id_18910692	567.676	ADLRVDZWHWKXQT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159026
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)CC)C(=O)OC	PC-id_18910625	567.676	WRMPKNVTODTHIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159027
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)C)C(=O)OCC	PC-id_18910560	567.676	URIJHTXHDDZPTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159028
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)C)C(=O)OC	PC-id_18910693	567.676	UFNDYKSCZZQSDR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159029
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)C(=O)OCC	PC-id_18910727	567.676	FJSIJWVNOKMQQD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159030
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)C)C(=O)OC	PC-id_18910561	567.676	OKGKNBHOHZMNTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159031
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)C(=O)OCC	PC-id_18910595	567.676	QWKSMGPKIIOARB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159032
c1(C(=O)N2CCCC(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N(C)[C@@H](C)C(=O)NCCC2)nnc2CCCCCn12	ZINC22_1704321437,EMOLS-id_317341084,MCULE-3890068540,PC-id_135116094	567.68	OSIUJRSNLSENKD-REWPJTCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159033
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)C1CCOCC1)CC(=O)N[C@H]2Cc1ccccc1	EMOLS-id_317355397,PC-id_135094945,ZINC22_1704315695,MCULE-6409243890	567.68	BNXGZERVMTVNLC-VEXUSMLFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159034
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)sc3c2CCCCCC3)c1	ZINC22_408969143	567.698	IBQNQOYSWTTYTG-QXUDOOCXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159035
CC(C[C@@H]1NC(=O)c2coc(n2)[C@H](CC(C)C)NC(=O)[C@@H](N(C(=O)[C@@H](NC1=O)Cc1ccccc1)C)CC(C)C)C	PC-id_101571030	567.719	HZUXTMFQNSBHQY-IGRGDXOOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159036
CN(CC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C)C	SCHEMBL19617623	567.721	NWVPWNGOXGBWFL-FXECDGANSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159037
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)CC(C)C	EMOLS-id_317473906,ZINC22_1772701088,PC-id_137335112,MCULE-1942327200	567.723	BQIDHCDEGCCMGJ-YWEHKCAJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159038
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)C(C)(C)C	MCULE-1953679023,EMOLS-id_317880266,ZINC22_1772817820	567.723	SJYHCAOZTAEZNH-BVAGGSTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159039
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(c(c1C(=O)OCC)C)C(=O)OCC)C)C(=O)OCC	PC-id_23858847	567.738	FSHHDRGESUGOOX-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-159040
s1c2c(CCCCC2)c(c1SC(C)C(=O)Nc1sc(c(c1C(=O)OCC)C)C(=O)OCC)C(=O)OCC	PC-id_23914730	567.738	RCARUWQELCCBAB-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-159041
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1sc(c(c1C(=O)OCC)C)C(=O)OCC)C)C(=O)OC	PC-id_23801731	567.738	GWEAXNGBTYPTQM-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-159042
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1sc(c(c1C(=O)OC)C)C(=O)OCC)C)C(=O)OCC	PC-id_24162664	567.738	WKUWQHHHDIMUGO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-159043
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)C(=O)OC	PC-id_19317898	567.743	MLEABWSGQRPSKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159044
Cc1c(ccc(c1)C(=O)N1CCCCc2c1ccs2)CNC(=O)N1CCC(=S)C1C(=O)N1CCCN(CC1)C	PC-id_87273766	567.766	RGMHEJQBUYXHKQ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-159045
CC1CN(C(C1=S)C(=O)N1CCCNCC1)C(=O)NCc1c(cc(cc1)C(=O)N1CCCCc2c1ccs2)C	PC-id_87060350	567.766	FWMRRDLMQGPZPP-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-159046
CC1CN([C@@H](C1=S)C(=O)N1CCNCCC1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	SCHEMBL38603	567.766	FWMRRDLMQGPZPP-KUXBLMNESA-N	00000010100000110101000000000010000000000000000000000000	31-01-159047
CN1CCCN(CC1)C(=O)[C@@H]1C(=S)CCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	SCHEMBL1662737	567.766	RGMHEJQBUYXHKQ-SANMLTNESA-N	00000010100000110101000000000010000000000000000000000000	31-01-159048
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC=C)C(=O)OCC	PC-id_19642056	567.766	DTTAXWIWGYMLSU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159049
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(N(CC)CC)cc1)CC=C)C(=O)OC	PC-id_19641980	567.766	BUNDHSNFMQXWPM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159050
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19317475	567.786	QQYLVWWIIZSFJH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159051
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)CC)C(=O)OC	PC-id_19317606	567.786	IPJBGGDJFQYWIL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159052
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)C)C(=O)OCC	PC-id_19317541	567.786	WSZXOEWRPNGWOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159053
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccccc2)ccc1)CC)C(=O)OC	PC-id_19317476	567.786	WCHCSZDXWSXRKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159054
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccccc2)ccc1)C)C(=O)OCC	PC-id_19317411	567.786	NBEZTOOMMCZGOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159055
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)C)C(=O)OC	PC-id_19317542	567.786	FHLMMJAJRZFQMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159056
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)C(=O)OCC	PC-id_19317576	567.786	ITJOUFZSZAPNLQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159057
CS/C/1=CCC(CC)(CC)c2sccc2/C(=C/C(=C1)/S(c1ccccc1)(c1ccccc1)c1ccccc1)/N	SCHEMBL19286869	567.87	KNDJGRBPDOOKEC-BAFPCHNSSA-N	00000000100000110110000000000010000000000000000000000000	31-01-159058
Clc1cc(COC(=O)N2CCCn3c(C2)cc(n3)C(=O)N2CCN(C(C2)C(F)(F)F)C)cc(c1)C(F)(F)F	PC-id_140700371	567.912	JFNBSHHKTDOGJA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159059
CN1CCN(C(C1)C(F)(F)F)C(=O)c1cc2n(n1)CCCN(C2)C(=O)OCc1cc(Cl)cc(c1)C(F)(F)F	PC-id_140700519	567.912	UEPIBKCYQOOGLU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159060
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn(Cc2ccc(Cl)cc2)c1	PC-id_19676903	567.949	UADVIDHWAJSFCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159061
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn(Cc2c(Cl)cccc2)c1	PC-id_20171533	567.949	JUOUOKZEKNJOOT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159062
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nn(Cc2ccc(Cl)cc2)c1	PC-id_19676896	567.949	VRTJUPAMOAORBE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159063
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nn(Cc2c(Cl)cccc2)c1	PC-id_20171526	567.949	QMHOICCGXNPPGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159064
CN1C2=C(C(CCCCC2)OCC3=CC=C(C=C3)C(=O)O[I-]I)N=N1	PC-id_153571868	567.96	SKJGKSQPNUMQEQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159065
Clc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_4405437	568.041	FHCSAWRQZFJDKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159066
Clc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_9669075	568.041	FHCSAWRQZFJDKO-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159067
Clc1ccc(C(=O)Oc2c(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cccc2)cc1	PC-id_5084681	568.041	WUYVTOFUSVCARU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159068
Clc1ccc(C(=O)Oc2c(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cccc2)cc1	PC-id_9606994	568.041	WUYVTOFUSVCARU-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159069
Clc1cc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc1	PC-id_4245861	568.041	ZCAZYEULHBZOBN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159070
Clc1cc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc1	PC-id_9654623	568.041	ZCAZYEULHBZOBN-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159071
Clc1cc(C(=O)Oc2cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)ccc1	PC-id_3380991	568.041	UXQDHSSGKNNOLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159072
Clc1cc(C(=O)Oc2cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)ccc1	PC-id_9666700	568.041	UXQDHSSGKNNOLF-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159073
Clc1cc(C(=O)Oc2c(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cccc2)ccc1	PC-id_5059505	568.041	APNHSHWSYUEEKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159074
Clc1cc(C(=O)Oc2c(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cccc2)ccc1	PC-id_9605699	568.041	APNHSHWSYUEEKU-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159075
Clc1cc(N(S(=O)(=O)c2cc3/C(=C/c4[nH]c5c(c4CCC(=O)O)C(=O)CCCC5)/C(=O)Nc3cc2)C)ccc1	SCHEMBL3803705,PC-id_46847744	568.041	QGERWVUBCGBKSU-QNGOZBTKSA-N	00000010100000110100000000001010000000000000000000000000	31-01-159076
Clc1cc(N(S(=O)(=O)c2cc3C(=Cc4[nH]c5c(c4CCC(=O)O)C(=O)CCCC5)C(=O)Nc3cc2)C)ccc1	SCHEMBL3803709,PC-id_68794466	568.041	QGERWVUBCGBKSU-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-159077
Clc1c(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cccc1	PC-id_19660532	568.041	MEVCSHBKQUWGFQ-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159078
Clc1c(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cccc1	PC-id_73634987	568.041	MEVCSHBKQUWGFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159079
Clc1c(C(=O)Oc2c(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cccc2)cccc1	PC-id_19659097	568.041	DNVHWGKQHIUNNJ-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159080
Clc1c(C(=O)Oc2c(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cccc2)cccc1	PC-id_73633593	568.041	DNVHWGKQHIUNNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159081
Clc1ccc(CN2CC(NC(=O)c3nn(cc23)CCc2ccccc2)COC(=O)c2c3c(n(c2)C)cccc3)cc1	PC-id_74942107	568.065	HWRGZLMRUZLFLA-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-159082
Clc1ccc(C(=O)N2Cc3nn(cc3N(Cc3ccc(C(=O)N4CCCC4)cc3)C(=O)C2)Cc2ccccc2)cc1	PC-id_69894591	568.065	DUZTYSQDTGWUPF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-159083
Cn1cc(C(=O)OC[C@H]2CN(Cc3ccc(Cl)cc3)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc12	GD-id_ZINC49694630,PC-id_44180168,BindingDB_PC-id_44180168,CHEMBL570992	568.065	HWRGZLMRUZLFLA-RUZDIDTESA-N	00000000100000110101000001100010000000000000000000000000	31-01-159084
Clc1c(COc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/C)cc2)cccc1	PC-id_19661676	568.084	TYJQFGSQOZIUCK-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-159085
Clc1c(COc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)cc2)cccc1	PC-id_73636106	568.084	TYJQFGSQOZIUCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159086
CC(C)NC(C1=CN(CC(C2=C1N=C(S2)C(F)(F)F)(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCOCC4)O	PC-id_155203833	568.233	QOCLZUYYWUTDCC-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159087
O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC1COc2c(OC1)csc2	PC-id_59642918,SCHEMBL14286519	568.255	GYZSIRDAEYBXJV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159088
CC(C)CC(C(=O)CC1CC2=CC=C(S2)CCNC(=O)C1=O)NC(=O)C(CC(=O)OCC3=CC=CC=C3)C(C)C	PC-id_162124396	568.261	ZHVJINCHZCSLRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159089
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCn1cnnc1)Nc1c(cc(cc1)I)F)C	PC-id_90734194	568.406	FUYJJZNNJPPERD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159090
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cc(Br)ccc3OCC(=O)N)sc3c2CCCCCC3)c1	ZINC22_408972689	568.525	UPYZWFQMDVBMHP-IBBHUPRXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159091
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]nc2C(F)(F)F)C(=O)c1ccc(F)c(OCCN2CCOCC2)c1	BindingDB-id_731687,SCHEMBL17777834,PC-id_121358768	568.56	QAAZXJFEGNEAOV-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159092
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C(F)(F)F)(C)C)C(=O)c1ccc(c(c1)F)OCCN1CCOCC1)C	SCHEMBL19643090	568.56	NSNWAVBATATPKS-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159093
CCN1CCc2c(C1)sc(c2CNC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)Br	SCHEMBL18501957	568.59	KKXHPZAFZNZKBM-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-159094
O(C(=O)c1cc(C(c2c3-c(c(c2)C(=O)OC)ccccc3)c2c3-c(c(c2)C(=O)OC)ccccc3)c2-c1ccccc2)C	PC-id_15732045	568.615	UQZZFWCTYZGQFS-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-159095
N[C@@H](C(=O)O)Cc1ccccc1[C@@H]([C@H](C(=O)c1ccccc1C[C@H](C(=O)O)N)Cc1ccc2-c1ccccc2)C(=O)O	PC-id_142627201	568.616	IBGLCKPSBNVMQY-OLQMUTRHSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159096
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1cc2c(cccc2)o1	EMOLS-id_317483179,ZINC22_1772713207,MCULE-6192823418,PC-id_137338491	568.621	CSSRPCVCZDSFDU-OOADCZFESA-N	00000000100000100101000001000010000000000000000000000000	31-01-159097
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)C=Cc1ccccc1	MCULE-4997502044	568.621	BQBHQFGXEQZRJV-VBVDBJQASA-N	00000000100000110101000000000010000000000000000000000000	31-01-159098
CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2cc(on2)CN(C(=O)/C=C/c2ccccc2)CCNC1=O	EMOLS-id_317480064,ZINC22_1772702127,PC-id_137337668	568.621	BQBHQFGXEQZRJV-JOVCCFMQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159099
CN1Cc2c(C1=O)cccc2C(=O)NC1CCC(CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	PC-id_138671571	568.627	DXYHSOILDCYBOX-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-159100
CN1Cc2c(C1=O)cccc2C(=O)N[C@@H]1CC[C@@](CC1)(F)CCN1CCc2c(CC1)nc(s2)OCC(F)(F)F	SCHEMBL21041958	568.627	DXYHSOILDCYBOX-SWGYMIDASA-N	00000010100010100101000000001010000000000000000000000000	31-01-159101
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_21164364	568.631	FUEBNCSAJAXVJU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159102
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)C)C(=O)OCC	PC-id_17304230	568.631	PEATXKVYPCIXNF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159103
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)C)C(=O)OC	PC-id_21164255	568.631	OCZWJEKFBZQDNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159104
COC[C@@H]1NC(=O)c2cccn2CCCCCCOC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)NC1=O	CHEMBL4448256	568.661	WKPZBHKCSNXECQ-ZUHGBKBGSA-N	00100000100000110101000000000010000000000000000000000000	31-01-159105
CCOC(=O)c1c(NC(=O)c2ccc(cc2)NC(=O)C(c2ccccc2)(c2ccccc2)O)sc2c1CCCCC2	CoCoCo_5899234	568.683	KFPZAGWLYZFLKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159106
CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2nc1sc2)C)[C@H](O)C)C(C)C)[C@H](O)C)C	PC-id_50941350,UNPD93551	568.686	SVGNQHFSKCBLNV-FENUFEPCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159107
O=C1NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(c2nc1cs2)C(C)CC)C(O)C)C(C)C)C(O)C)C	PC-id_75586896,CNP0304508	568.686	SVGNQHFSKCBLNV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159108
CC(=O)OCC(=O)N1CCC([C@@H](C1)NC(=O)c1sc2c(n1)CCCN(C2)C)NC(=O)/C(=C/c1cccc(c1)C)/N	PC-id_142213742	568.688	IENGWQOIWGMNMC-KCJZALGMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159109
CCN(c1ccc(c(c1)C)NC(=O)SC(c1cccc(c1)C(F)(F)F)Cc1nc2=CC=CCC=c2n1CC)CC	PC-id_142101973	568.696	DBHPJPWVRAGZOZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159110
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)C)C(=O)OC	PC-id_18909503	568.704	HDJOTKOPFUPXTP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159111
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)C(=O)OCC	PC-id_18909537	568.704	BGFHMDYXNSMDCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159112
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)C)C(=O)OC	PC-id_18911879	568.704	UTTRTTIRQHPVEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159113
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)C(=O)OCC	PC-id_18911913	568.704	WEZIJLFOOABNQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159114
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)C(=O)OC	PC-id_18909538	568.704	ZFRBUARIVYEZEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159115
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)C(=O)OC	PC-id_18911914	568.704	NNGUHFWZTPTZME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159116
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(F)cc2)ccc1)CC)C(=O)OCC	PC-id_18910232	568.722	TZIUSSPKYSVZFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159117
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(F)cccc2)ccc1)CC)C(=O)OCC	PC-id_18910100	568.722	QEWQSGRRDFPORR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159118
CC(OC1=c2n(CCCN3CCN(CC3)CCOc3ccccc3)cc(c2=CC=CC1)C(=O)NCc1ccccc1)C	PC-id_71175580,SCHEMBL14463718	568.749	SHOMXZWIZLJXHG-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159119
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC)C(=O)OCC	PC-id_19642286	568.751	HWHKLLWCTGIWCK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-159120
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC=C)C(=O)OCC	PC-id_17268921	568.751	KEUQJKMCVZLPJX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159121
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC=C)C(=O)OCC	PC-id_19732817	568.751	BYJOXAVCXJJDEE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159122
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC=C)C(=O)OCC	PC-id_17306366	568.751	YKCVDKBGSRRGNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159123
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)CC)C)CC=C)C(=O)OCC	PC-id_17306695	568.751	PLUFHHPOGSJXMV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159124
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC=C)C(=O)OCC	PC-id_19637131	568.751	SFCMQIHFOSGQGL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159125
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC=C)C(=O)OCC	PC-id_19637477	568.751	SJOHEBVPMSKDGJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159126
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC=C)C(=O)OCC	PC-id_19643910	568.751	YZOPNDNCOAFEBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159127
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC=C)C(=O)OC	PC-id_17306757	568.751	PQDCMUWQKMIMJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159128
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC=C)C(=O)OCC	PC-id_19632571	568.751	NVZWSVIYYMLRLA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159129
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC=C)C(=O)OC	PC-id_19632827	568.751	KDWVQWIXFWXREM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159130
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC)C(=O)OC	PC-id_19642208	568.751	ONNQEQVZMQGQMH-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-159131
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCCCC)cc1)CC=C)C(=O)OC	PC-id_17255120	568.751	IXBFOJCXJXTIAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159132
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OCC(C)C)cc1)CC=C)C(=O)OC	PC-id_17266994	568.751	MYDDLHXHERSVIO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159133
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(c(ccc1)C)C)C)CC=C)C(=O)OC	PC-id_17306347	568.751	OCQUHCRJSQNQES-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159134
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(c(cc1)C)C)C)CC=C)C(=O)OC	PC-id_19637058	568.751	PUPGAPRYDHUOKG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159135
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1cc(cc(c1)C)C)C)CC=C)C(=O)OC	PC-id_19637398	568.751	UZTCIODWQOIFET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159136
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(cc1)CC)C)CC=C)C(=O)OC	PC-id_19639095	568.751	GSJKRHJFWPLILR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159137
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(cc(cc1)C)C)C)CC=C)C(=O)OC	PC-id_19643836	568.751	MCRUHLMZUVYSSH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159138
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)C)cc1)CC=C)C(=O)OC	PC-id_19632499	568.751	BOTMMZHVYNFYHM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159139
s1c2nc(CCCCC(=O)O[C@H](C/C(=C/C=CC(=O)O[C@@H](C2)/C=C(/C=C/C(=C/CN2CCOCC2)/C)C)/C)C)c1	PC-id_73054989	568.767	YAQBSDKQKZYWDQ-DLUHIORMSA-N	00000000100010000111000000000010000000000000000000000000	31-01-159140
CCC/C/1=C(C)/C/C=C/C(=C(/C)C(=Cc2[nH]c(/C=C(N=C(C=C1/N=C)/CCCC(=O)O)/CC)c(C)c2C=C)NC)/C=C	PC-id_145189699	568.792	LIXADMPQGWEPOY-MAOINGPMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159141
COC(=O)/C/1=C/Cc2c(c[nH]c2C(=O)C(=O)C(=C)N1S(=O)(=O)c1ccc(cc1)Cl)C(=O)OCc1ccccc1	PC-id_138482842,SCHEMBL20830348	568.982	OGQLHBNQYRJDQH-XKZIYDEJSA-N	00000000100000110110000000000010000000000000000000000000	31-01-159143
Ic1nc2c(s1)C=CC(C=C2)(C)C(I)(I)C	PC-id_142413999	568.982	FZJGHJKJZGZPIK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159144
C1CC/C(=C(CNC(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl)/F)/C3=C(C1)C=NN3CC4=C(C=C(C=C4)Cl)Cl	PC-id_161980177	569.051	YPNSJUCDRFQGMX-LNVKXUELSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159145
Clc1cc(S(=O)(=O)N2C(C(c3c(scc3)C(O)C2)Cc2ccc(cc2)c2ccccc2)C(=O)NO)ccc1	PC-id_76479479	569.091	YFJFGGSTAKBXMD-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159146
Clc1cc(S(=O)(=O)N2[C@H]([C@H](c3c(scc3)[C@@H](O)C2)Cc2ccc(cc2)c2ccccc2)C(=O)NO)ccc1	PC-id_57047877	569.091	YFJFGGSTAKBXMD-KKUQBAQOSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159147
O=C(Nc1ccc(cc1)Cl)CCc1ccc(cc1NC(=O)c1sc2c(n1)CCCN(C2)C)C(=O)OC(C)(C)C	PC-id_140161638	569.115	VOHKGJZQLPEPSI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159148
CC(C)CC(C(=O)CC1CC2=CN=C(S2)CCNC(=O)C1=O)NC(=O)C(CC(=O)OCC3=CC=CC=C3)C(C)C	PC-id_162078367	569.256	ZBZVZWKLIBVUHF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159149
CC(C)CC(C(=O)CC1CC2=NC=C(S2)CCNC(=O)C1=O)NC(=O)C(CC(=O)OCC3=CC=CC=C3)C(C)C	PC-id_149177163	569.256	XAFMKBUQDJXQNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159150
CCOC(=O)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br	ZINC22_408969525	569.51	PHISUFSNQXQCKJ-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159151
CN1CCN(CC1)S(=O)(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700404	569.52	QBUOLVNIYHQOFJ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159152
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)ccc(Cl)c1	PC-id_17269002	569.524	DPVRSJOETTZXPE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159153
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)cc(Cl)cc1	PC-id_21166948	569.524	BBDGQQLZJNKGRB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159154
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)ccc(Cl)c1	PC-id_19633058	569.524	NBIUFNASPGHZNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159155
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)C)ccc(Cl)c1	PC-id_19639737	569.524	FRQXGFWOBXKKKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159156
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)C)cc(Cl)cc1	PC-id_17269177	569.524	ZHQAGVGNHQHDNR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159157
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)cc(Cl)cc1	PC-id_21166985	569.524	FBBHNHCFISFYKE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159158
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)ccc(Cl)c1	PC-id_17305233	569.524	IGPXAPNKGZNAAB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159159
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cc(Cl)cc1	PC-id_21166870	569.524	NRYSTILHPSWOQU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159160
CCCCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408963974	569.553	KNOYPSKRYUYWAN-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-159161
CCCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC	ZINC22_408973278	569.553	YBBSOKVWXQIPSN-ZCTHSVRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-159162
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OC(C)C	ZINC22_408972077	569.553	PUDKMWBSBAMJHM-FDAWAROLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159163
SCC1NC(=O)Cn2nnc(CNC(=O)C(NC(=O)CNC(=O)C(NC1=O)CCCN=C(N)N)CC(=O)O)c2	PC-id_74392733	569.595	KQJFYOXZGBBFJF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159164
SC[C@@H]1NC(=O)Cn2nnc(CNC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC1=O)CCCN=C(N)N)CC(=O)O)c2	PC-id_25136808	569.595	KQJFYOXZGBBFJF-UPJWGTAASA-N	00000000100000000101000000000010000000000000000000000000	31-01-159165
O=C(Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)NCc1c(Br)sc2c1CC[N+](C2)(C)C	SCHEMBL18501937	569.598	QTEDFUMFWVMAFU-UHFFFAOYSA-O	00000000100010000100000000010010000000000000000000000000	31-01-159166
COC[C@@H]1NC(=O)c2ccnn2CCCCCCOC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)NC1=O	CHEMBL4471209	569.649	SJZLWCPLPKVMNO-FSDPBTBWSA-N	00100000100000110101000000000010000000000000000000000000	31-01-159167
COC[C@@H]1NC(=O)c2nccn2CCCCCCOC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)NC1=O	CHEMBL4434719	569.649	JHQUXVGWWDAOIF-FSDPBTBWSA-N	00100000100000110101000000000010000000000000000000000000	31-01-159168
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2sccc2)cc1)C(=O)OCC	PC-id_3617672	569.649	GHGVUFCGYMMPOS-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-159169
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2sccc2)cc1)C(=O)OCC	PC-id_9628205	569.649	GHGVUFCGYMMPOS-RWPZCVJISA-N	00000000100100110100000000000010000000000000000000000000	31-01-159170
CC1C(=O)NC(C(=O)NC(CCCCn2cc(CC(C(=O)N1)NC(=O)C(C)NC)nn2)C(=O)N)Cc1ccccc1	PC-id_89570616	569.656	LUGXBHKOPCGQNW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159171
CN[C@H](C(=O)N[C@H]1Cc2nnn(c2)CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)Cc1ccccc1)C(=O)N)C	SCHEMBL14952604	569.656	LUGXBHKOPCGQNW-NXQKYAITSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159172
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC22_408970195	569.671	CJDNAODGAJWAPM-FMFFXOCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159173
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)CCOC	PC-id_137334578,EMOLS-id_317521012,ZINC22_1772703318,MCULE-3663430960	569.696	FJVNXQVYNHUNFO-KCWPFWIISA-N	00000000100000110101000000000010000000000000000000000000	31-01-159174
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)COCC)CCCNC(=O)Cn1nc(C)n2	EMOLS-id_317458617,PC-id_137340459,MCULE-1943903457,ZINC22_1772713722	569.696	PUEWSGJTXUVIEC-KCWPFWIISA-N	00000000100000110101000000000010000000000000000000000000	31-01-159175
CC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)N[C@H](c2oc(C(N1CC)CC)nn2)Cc1ccccc1	SCHEMBL18652881	569.696	JZVGZXODPXUFPB-RUNIQBHISA-N	00000000100000110101000000000010000000000000000000000000	31-01-159176
CC(C)(C)OC(=O)NC1CCN(C1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)Nc1cccc(c1)c1ccccc1	PC-id_89125886	569.717	YAAWBJPTYFJIGP-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-159177
CCN(C(=O)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_59740606,SCHEMBL1322065	569.717	OKFZBVWVXWVKDC-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-159178
CCN(C(=O)c1ccc(nc1)N(c1cc(c[nH]c1=O)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C)C	PC-id_68856905,SCHEMBL3964067	569.717	SELFDUIFKKZUSW-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-159179
O=C(OC(C)(C)C)NC1CCN(C1)C(=O)c1sc2c(c1)C/N=C(N=C/C/C=C)/Nc1cccc(c1)c1ccccc1	SCHEMBL13591907	569.717	YAAWBJPTYFJIGP-DCIUPMGCSA-N	00000010100000110111100000000010000000000000000000000000	31-01-159180
CN(C/C(=SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C)/O)C	SCHEMBL19617625	569.737	QGHAHXWUSXEZSF-FXECDGANSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159181
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(c(C)c3)C)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4640866,MCULE-8452712432,EMOLS-id_22701386	569.739	IQCVVAKUIHWGTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159182
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccc(c(c2)C)C)C)sc2c1CCCCC2	CoCoCo_2662457,PC-id_98229483	569.739	IQCVVAKUIHWGTI-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159183
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccc(c(c2)C)C)C)sc2c1CCCCC2	PC-id_98229484,CoCoCo_2662458	569.739	IQCVVAKUIHWGTI-SFHVURJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159184
O=C(N1CCc2c(CC1)n(nc2I)C(=O)c1c(Cl)cccc1C(F)(F)F)OC(C)(C)C	PC-id_140836596	569.744	TYHFXLIBAFJPLS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159185
CNC/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)[C@@H](CCCc2nc(C1)sc2)NC(=O)C)/C)C	SCHEMBL18123420,PC-id_122597581	569.755	KEBBSRIPXRTXSE-PRCKDLOOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159186
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)C)C(=O)OC	PC-id_19317672	569.758	OELKEAXIYBYGAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159187
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)C(=O)OCC	PC-id_19317706	569.758	KDKUDRSOTPXJJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159188
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)C(=O)OC	PC-id_19317707	569.758	QUBIWLUYUWDJLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159189
s1c2nc(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC2CC(C)C)Cc2ccccc2)c1	PC-id_76512166	569.759	PMNHVSVBGKEPKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159190
s1c2nc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC(C)C)Cc2ccccc2)c1	PC-id_57328751	569.759	PMNHVSVBGKEPKN-ZJZGAYNASA-N	00000000100000110101000000000010000000000000000000000000	31-01-159191
CN(C(C)C)Cc1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_24900700,SCHEMBL1322003	569.76	GNVTXMZRMXJBEQ-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-159192
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)C	PC-id_5211130	570.101	JVEOYACMOSVAJP-WNAAXNPUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159193
CCCN(C(=O)/C(=C/C=C(/C(=O)NC(c1[nH]c2c(n1)C=CCC(=C2)Cl)CCC(=O)N(CC)CC)C=C)/CC)CC	PC-id_142911759	570.166	GRUJOEOFECVZHM-LKNRODPVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159194
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)C)cc1C)C	PC-id_19641644	570.169	LNZKZFNBJQKUSS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159195
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cc1)C	PC-id_20123453	570.169	MAZMFCOBSYFUPR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159196
CC(C)CC(C(=O)CC1CC2=NN=C(S2)CCNC(=O)C1=O)NC(=O)C(CC(=O)OCC3=CC=CC=C3)C(C)C	PC-id_148933351	570.251	PMJMLZJBJIIDIK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159197
Brc1cc2n(c(nc2cc(Br)c1=O)CCCC)Cc1ccc(cc1)c1c(cccc1)C(=O)O	PC-id_19102842,SCHEMBL9335608	570.272	UZONLNCRXLYSTK-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-159198
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N	PC-id_4065941	570.368	VHEQGJUESXTIAI-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-159199
CCCCC(COC1(OCC(CCCC)CC)COc2c(OC1)c(sc2Br)Br)CC	PC-id_102261421	570.418	NBQPYBMEZKOXFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159200
CCCCC(COCC1(COCC(CCCC)C)COc2c(OC1)c(sc2Br)Br)C	PC-id_102171899	570.418	UKCRBBCOAMQSOW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159201
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NC1CCCN(C1)C)Nc1c(cc(cc1)I)F)C	PC-id_91182843	570.462	CUPUILQZRKTGAR-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-159202
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NC1CCN(CC1)C)Nc1c(cc(cc1)I)F)C	PC-id_91554171	570.462	OYXKNDCMUWJVFS-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-159203
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC1CCCCN1)Nc1c(cc(cc1)I)F)C	PC-id_91372779	570.462	DOEXXLVPJSGMIP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-159204
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCN1CCCC1)Nc1c(cc(cc1)I)F)C	PC-id_91496888	570.462	FUBSZNJTIINJPA-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-159205
CCN1CCN(CC1)C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I	PC-id_69073835,SCHEMBL4512046	570.462	KSANKYHBMXYGMU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159206
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCC(=O)N	ZINC22_408963514	570.498	FGQWNOXPYOYJGB-FJEPWZHXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159207
Clc1ccc(c(c1)Cl)COCc1ccc(cc1)C(=O)NS(=O)(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_140288178	570.527	MLUKWBHFJNIASO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159208
O(C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)COC(=O)C)c1[n+](n2CCCCCc2n1)C(=O)OCC)C(=O)C	PC-id_73322036	570.566	IFNOPDTVFMDYGQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159209
O([C@@H]([C@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)COC(=O)C)c1[n+](n2CCCCCc2n1)C(=O)OCC)C(=O)C	PC-id_16752158	570.566	IFNOPDTVFMDYGQ-ADHNFCLRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159210
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C(=O)OCC	PC-id_20166481	570.568	LRWABEBJVFPBGP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159211
CCCCCCCCCCCCCCNc1nc(=O)c2c(nc(Br)n2Cc2ccc(OC)cc2)c(=O)[nH]1	PC-id_15955480,CHEMBL370844	574.553	BZQMNEWTDBOILU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159449
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C(=O)OC	PC-id_20166474	570.568	QKKFDQXAISZHOG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159212
CCOC(=O)c1c(N=Nc2c(C(=O)OCC)c3-c(c2C(=O)OCC)ccccc3)c(c2-c1ccccc2)C(=O)OCC	PC-id_102216963	570.589	BINITPIOSPGRCH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-159213
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)OC)cc(c(=O)c(c2)C(=O)OCC)C(=O)OCC	PC-id_86745671	570.632	DBUDMJVDVAXAQI-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-159214
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)COC	MCULE-4052038454,ZINC22_1772714414,EMOLS-id_317517987,PC-id_137340831	570.637	PJJOVZZGTNQCHF-STZQEDGTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159215
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1ccc2c(CCO2)c1	EMOLS-id_317462708,PC-id_137339963,MCULE-8552242048	570.637	XWYMRGVLUFUENG-OOADCZFESA-N	00000010100000100101000000001010000000000000000000000000	31-01-159216
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)CCc1ccccc1	EMOLS-id_317461690,MCULE-1796213414,ZINC22_1772713897,PC-id_137343605	570.637	VPTQRQLCAYWMBO-VBVDBJQASA-N	00000000100000110101000000000010000000000000000000000000	31-01-159217
CC1(CCN(C1)c1cnc(cc1)Nc1cc(n[nH]c1=O)c1cc(c(cc1)F)NC(=O)c1cc2=CC=CCC=c2s1)O	SCHEMBL19981784,PC-id_134355391	570.637	PCWCXQWYAWGHET-UHFFFAOYSA-N	00000010100000111111100000000010000000000000000000000000	31-01-159218
N#CCc1cc(ccc1c1ccccc1S(=O)(=O)[N-]c1onc(c1C)C)Cn1c(CCC)nc2c1C(=O)CCCC2	GD-id_ZINC26028302	570.682	DBZRAULCCSHWOH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159219
C=Cc1ccc(cc1)[C@@H](NC(=O)C1=Nc2nc(nn2C(=CC1)C(=C)NCc1cccc(c1)NC1=CC(=C)C1=C)C(=C)N)C	PC-id_143342313	570.687	XNLXPZCTRHHCGA-QHCPKHFHSA-N	00001100100000110111000000000010000000000000000000000000	31-01-159220
CC(CC(C(=O)NC1Cc2ccc(s2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	PC-id_138731049,SCHEMBL21110207	570.7	WNLGNWASIFKUAZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159221
OCCN(C(=O)c1ccc(nc1)NC1=CC(=CCC1=O)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_143646145	570.702	ZYCDMSKZUMFLCY-UHFFFAOYSA-N	00000000100011111100100000000010000000000000000000000000	31-01-159222
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)Nc1cc(ccc1)S(=O)[O-]	PC-id_89125898	570.703	HMJDMNOJJABAAE-UHFFFAOYSA-M	00000000100010110111000000000010000000000000000000000000	31-01-159223
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)CC)C(=O)OC	PC-id_18897893	570.72	MAGBHIIQIKKURJ-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-159224
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)C)C(=O)OCC	PC-id_18897828	570.72	YKHBBNSTIGNLNL-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-159225
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)C)C(=O)OC	PC-id_18897829	570.72	UBARCJRSTGPLHQ-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-159226
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)C(=O)OCC	PC-id_18897863	570.72	MUBBWXCHPGHYFO-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-159227
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC=C)C(=O)OCC	PC-id_19640404	570.723	ZYMIEGZYODSXBT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159228
s1c2c(CCCCCC2)c(c1NC(=O)C(OC(=O)c1ccc(n2c(nnc2SC)C)cc1)CC)C(=O)OCC	PC-id_24055561	570.723	ZLMDRSSMIHWHOM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159229
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(OC)cc1)C)CC=C)C(=O)OC	PC-id_19640326	570.723	PQGGPVJFRBVKMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159230
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)COc1c(C(=O)OCCC=CCC)cccc1	PC-id_43904253	570.743	PETKBDMKRJMXAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159231
CN(C(C)C)Cc1ccc(nn1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL12956349,PC-id_59557853	570.748	DQLHYQHMEFCJRP-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-159232
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC)C(=O)OCC	PC-id_19639276	570.766	YGJLHTDSWIODNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159233
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC)C(=O)OC	PC-id_19639504	570.766	WHYHNSGZCVNZEP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159234
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC)C(=O)OCC	PC-id_17264930	570.766	BZLYIXOIUOXAPK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159235
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)C)C(=O)OCC	PC-id_19639467	570.766	MXFSQPPSYFAHGU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159236
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC)C(=O)OC	PC-id_19639236	570.766	DUZYYXHIKYYOLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159237
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)C)C(=O)OC	PC-id_17306789	570.766	KXAYXMGMGVIOEY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159238
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC)C(=O)OC	PC-id_19632717	570.766	CDYABHCFOZOSFR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159239
O=C(N1CCN(CC1)CCCN1CCCCC1)C1CCN(CC1)C(=O)c1nc2c(n1Cc1ccccc1)C=CCC=C2	PC-id_143645273	570.768	BBPNKCBRHSXMEN-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159240
CCC(c1cc(c(cc1)C(=O)O)N)NC(=O)N1Cc2nn(c(=O)n2CC(C1=O)Cc1c(ccc(c1)Cl)OC)CC	PC-id_88994482,SCHEMBL13194455	571.025	FZIYWOZTTAPYHN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159241
CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N1Cc2nn(c(=O)n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC)CC	SCHEMBL12980040	571.025	FZIYWOZTTAPYHN-LAUBAEHRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159242
Clc1ccc(cc1)Cn1c(Oc2cccc(c2)F)nc2c1C(=O)N(CCCOC1CCCCO1)C(C(=O)N2C)C	SCHEMBL21344906,PC-id_139478236	571.04	HHJDZEBJIZGOTI-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159243
Clc1ccc(cc1)Cn1c(Oc2cccc(c2)F)nc2c1C(=O)N(CCCO[C@@H]1CCCCO1)C(C(=O)N2C)C	PC-id_139467294,SCHEMBL21332983	571.04	HHJDZEBJIZGOTI-JKSFWZLDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159244
CC(Oc1ccc(cc1Cl)CCC1(CC(=C(C(=O)O1)Sc1nn2c(n1)N=C(CC=C2C)C)O)C1CCCC1)C	PC-id_142828091	571.131	FVKGNHWARAMBCU-UHFFFAOYSA-N	00000010100011110111100000000010000000000000000000000000	31-01-159245
Clc1ccc(CC(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)cc1	PC-id_18909372	571.15	POQBTSMMVXRGQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159246
Clc1ccc(CC(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)cc1	PC-id_18909437	571.15	PFHZATWABGNNFS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159247
Clc1ccc(CC(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)cc1	PC-id_18909373	571.15	SJBZEJXYKWHRFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159248
Clc1ccc(CC(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)cc1	PC-id_18909407	571.15	GFNMNFXAXQOSTJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159249
Clc1cc(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)CC)ccc2)ccc1	PC-id_18910494	571.15	QJOWAAHDNRELMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159250
Clc1cc(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)C)ccc2)ccc1	PC-id_18910430	571.15	PELKEFQGPTVYOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159251
Clc1cc(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)CC)ccc2)ccc1	PC-id_18910495	571.15	XNKLMXSHKOLKBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159252
CC1CCC(C1NS(=O)(=O)C2=C3C=CCCCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278807	571.172	NZXFALPIPDQRLL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159253
CC1=C(C=CC=C1C2=C(C(=CC=C2)NC(=O)C3=NC4=C(S3)CNCCC4)C)CC(=O)C5=NC6=C(S5)CNCCC6	PC-id_160651134	571.208	RKKWXXWQKLWTAA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159254
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC	PC-id_4341054	571.353	BQOKWBSFWQBMKR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-159255
BrCCCCCNc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460981,SCHEMBL16100319	571.354	LIHRAHYDZDAZMH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159256
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2C(CCC2)C(=O)O)cc1	PC-id_69069923,SCHEMBL4503467	571.404	HAUKIPSTNQIVLD-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-159257
CC1OC(C)CN(C1)C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I	SCHEMBL4509843,PC-id_69072864	571.447	OSKULFMPXGHFBL-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159258
COCC1CCCN1C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I	SCHEMBL4502715,PC-id_69069589	571.447	WKGRYXFZBQXGLG-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-159259
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)OC[C@H]1CCCCN1)CC(CNC2=O)(C)C	PC-id_69075257,SCHEMBL4515604	571.447	ILADALPNLKCITE-CQSZACIVSA-N	00000000100010110100000000000010000000000000000000000000	31-01-159260
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)OC[C@@H]1CCCCN1)CC(CNC2=O)(C)C	SCHEMBL4513016,PC-id_69074221	571.447	ILADALPNLKCITE-AWEZNQCLSA-N	00000000100010110100000000000010000000000000000000000000	31-01-159261
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2C(CCCC2)CO)cc1	PC-id_69073870,SCHEMBL4512127	571.447	VSAGXZXNQFBTNF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-159262
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CCC(CC2)CO)cc1	PC-id_69074670,SCHEMBL4514120	571.447	FXTHJBIFNHCQSP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-159263
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CC(CCC2)CO)cc1	SCHEMBL4512481,PC-id_69073999	571.447	NUOYYFCOFDDHBJ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-159264
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)OCC2NCCCC2)cc1	PC-id_77598889	571.447	ILADALPNLKCITE-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-159265
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCC(=O)O	ZINC22_408971547	571.483	INNPKVKOKXOLCV-WKULSOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159266
c1(NC(=O)c2ccc(c(COc3cccc(Cl)c3Cl)c2)OC)sc2c(CCCCCCCCCC2)c1C#N	MCULE-6160705679,EMOLS-id_8249404,TIMTEC485185,CoCoCo_6926774,ZINC22_2739496,PC-id_4765916,SPECS-id_AK-968/41923025	571.558	UQTBIUOHQKXBII-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159267
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)OC)sc2c1CCCCC2	PC-id_121041474	571.665	ZSCMBADBVWKVIC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159268
CCOC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)OC)sc2c1CCCCC2	PC-id_121043504	571.665	HWOFBQZKWQOZOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159269
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)OC)sc2c1CCCCC2	PC-id_121045522	571.665	WXFDXRGQOCFURM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159270
CCC(=O)C1=CC=c2c(=CC1)cc(n2C(OC(C)C)O)/C(=N/N(C(=O)OC(C)(C)C)c1csc(c1)C(=O)OC)/C	PC-id_143017827	571.685	GOXRDTSSIPTZCO-UXHLAJHPSA-N	00000000100100000110000000000010000000000000000000000000	31-01-159271
CC(CC(C(=O)NC1Cc2cnc(s2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	PC-id_138730661,SCHEMBL21109816	571.688	MZQSLMVFXWFKQL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159272
CC(CC(C(=O)NC1Cc2ncc(s2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	PC-id_138730469,SCHEMBL21109624	571.688	JVLZKIAIZWQQFL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159273
C[C@@H]1CN(C(=O)CCCn2cc(CO[C@@H]1CN(C)S(=O)(=O)c1ccc(cc1)Oc1ccccc1)nn2)[C@@H](C)CO	PC-id_134828963	571.688	SYWTUHWEQAODFK-UMTXDNHDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159274
OC[C@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)Oc1ccccc1)C)C	CHEBI:113409,PC-id_44492576	571.688	SYWTUHWEQAODFK-OREGWCPLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159275
OC[C@H](N1C[C@@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)Oc1ccccc1)C)C	CHEBI:97040,PC-id_44495958	571.688	SYWTUHWEQAODFK-VHFRWLAGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159276
OC[C@@H](N1C[C@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)Oc1ccccc1)C)C	PC-id_44493065,CHEBI:96731	571.688	SYWTUHWEQAODFK-BERHBOFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159277
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)Oc1ccccc1)C)C	PC-id_44494071,CHEBI:96724	571.688	SYWTUHWEQAODFK-VHSZZVNMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159278
OC[C@@H](N1C[C@H](C)[C@H](OCc2cn(CCCC1=O)nn2)CN(S(=O)(=O)c1ccc(cc1)Oc1ccccc1)C)C	PC-id_44495957,CHEBI:96745	571.688	SYWTUHWEQAODFK-BCQCSXDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-159279
OC[C@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)Oc1ccccc1)C)C	CHEBI:113378,PC-id_44505157	571.688	QEXGJGRYUGYWJV-OREGWCPLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159280
OC[C@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)Oc1ccccc1)C)C	CHEBI:95596,PC-id_44505946	571.688	QEXGJGRYUGYWJV-XXAUWVGASA-N	00000000100000110101000000000010000000000000000000000000	31-01-159281
OC[C@@H](N1C[C@@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)Oc1ccccc1)C)C	PC-id_44504945,CHEBI:96583	571.688	QEXGJGRYUGYWJV-VHSZZVNMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159282
OC[C@@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)Oc1ccccc1)C)C	PC-id_44505541,CHEBI:113328	571.688	QEXGJGRYUGYWJV-UMTXDNHDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159283
OC[C@@H](N1C[C@H](C)[C@@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)Oc1ccccc1)C)C	PC-id_44505944,CHEBI:113303	571.688	QEXGJGRYUGYWJV-BERHBOFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159284
OC[C@H](N1C[C@@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(S(=O)(=O)c1ccc(cc1)Oc1ccccc1)C)C	PC-id_44505954,CHEBI:113494	571.688	QEXGJGRYUGYWJV-VHFRWLAGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159285
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)c1ccc(Oc2ccccc2)cc1	PC-id_75036137	571.688	QEXGJGRYUGYWJV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159286
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1ccc(Oc2ccccc2)cc1	PC-id_44505732	571.688	QEXGJGRYUGYWJV-LOYIFYEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159287
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1ccc(Oc2ccccc2)cc1	PC-id_44505952	571.688	QEXGJGRYUGYWJV-BCQCSXDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-159288
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1ccc(Oc2ccccc2)cc1	PC-id_44493574	571.688	SYWTUHWEQAODFK-LOYIFYEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159289
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C)c1ccc(Oc2ccccc2)cc1	PC-id_44493575	571.688	SYWTUHWEQAODFK-XXAUWVGASA-N	00000000100000110101000000000010000000000000000000000000	31-01-159290
CCCc1nc2c(n1Cc1ccc(c3ccccc3S(=O)(=O)Nc3onc(C)c3C)c(CC#N)c1)C(=O)CCCC2	PC-id_44267862,SCHEMBL4771770,BindingDB_PC-id_44267862,CHEMBL12144	571.69	PPKYHFHFSZRMQF-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159291
N#CCc1cc(ccc1c1ccccc1S(=O)(=O)Nc1noc(c1C)C)Cn1c(CCC)nc2c1C(=O)CCCC2	PC-id_53781552,SCHEMBL4775085	571.69	DVPZSKYGDYTERS-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159292
N#CCc1cc(ccc1c1ccccc1S(=O)(=O)Nc1onc(c1C)C)Cn1cnc2c1C(CCCC2)C(C=O)C	SCHEMBL5529694	571.69	SQVVTYMRKOZLTQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159293
S(=O)(=O)(Nc1onc(c1C)C)c1c(c2c(cc(Cn3c4c(nc3CCC)CCCCC4=O)cc2)C[N+]#[C-])cccc1	PC-id_59102525	571.69	MLNQQKRFGFZFDI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159294
CCCC(C1OC(=O)C(CC)N(CC)C(=O)c2coc(n2)CC(=O)CC(/C=C(/C=C/CNC(=O)/C=C/C1C)C)O)C	SCHEMBL20718467,PC-id_137477177	571.705	ONVNUZGVXQEMRL-XODOVRQDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159295
COCCOC(=O)C1=C(Nc2ccc(c(c2)C)C)SC(C1=N)C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	EMOLS-id_48980108,MCULE-5363506413	571.708	KEFLNTFZPOSXFH-UHFFFAOYSA-N	00000011100000110100000000000010000000000000000000000000	31-01-159296
COCCOC(=O)C1=C(Nc2ccc(C)c(C)c2)S[C@@H](C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)C1=N	ZINC22_102931761,CoCoCo_3770256,CoCoCo_3770259	571.708	KEFLNTFZPOSXFH-HSZRJFAPSA-N	00000011100000110100000000000010000000000000000000000000	31-01-159297
COCCOC(=O)C1=C(Nc2ccc(C)c(C)c2)S[C@H](C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)C1=N	ZINC22_102931764,CoCoCo_3770258,CoCoCo_3770257	571.708	KEFLNTFZPOSXFH-QHCPKHFHSA-N	00000011100000110100000000000010000000000000000000000000	31-01-159298
COCCOC(=O)C1=C(N)[C@@H](SC1=Nc1ccc(c(c1)C)C)C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	PC-id_98387569	571.708	GXXVVOLEAVKESX-HSZRJFAPSA-N	00000011100000110100000000000010000000000000000000000000	31-01-159299
COCCOC(=O)C1=C(N)[C@H](SC1=Nc1ccc(c(c1)C)C)C(=O)Nc1sc2c(c1C(=O)OC)CCCCC2	PC-id_98387570	571.708	GXXVVOLEAVKESX-QHCPKHFHSA-N	00000011100000110100000000000010000000000000000000000000	31-01-159300
s1c2c(CCCCC2)c(c1NC(=O)C1SC(=Nc2cc(c(cc2)C)C)C(=C1N)C(=O)OCCOC)C(=O)OC	PC-id_3392828	571.708	GXXVVOLEAVKESX-UHFFFAOYSA-N	00000011100000110100000000000010000000000000000000000000	31-01-159301
Cc1c(cc(cc1)C(=O)N1CCc2c(CC1)[nH]nc2C(=O)CCC(CC(=O)OC)c1ccc(cc1)C(C)(C)C)N=NC	PC-id_91521469	571.71	XTIXHTTWVKLAQS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159302
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3OC)n2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-6642288759,PC-id_4091161,EMOLS-id_22701452	571.711	JNWRPWWCOWQTRR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159303
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3)OC)n2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-8080095680,PC-id_3322925,EMOLS-id_11051610	571.711	DJPKOOJRDPLRME-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159304
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccc(OC)c3)n2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-9163262816,EMOLS-id_11051790,PC-id_5195492	571.711	GFJVUFXBSXGVFC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159305
c1(NC(=O)C(C)Sc2nnc(CNC(=O)COc3ccccc3)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4138918,EMOLS-id_22701158,MCULE-9580915421	571.711	FZZGHZDWLPLCKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159306
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2424314651,CoCoCo_2661242,EMOLS-id_22700016,PC-id_5086849	571.711	APZYLUWJKLPSOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159307
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)c1cc2c(s1)C=CCC=NC(=NC2)Nc1cc(ccc1)S(=O)O	PC-id_89125899	571.711	HMJDMNOJJABAAE-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159308
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2cccc(c2)OC)C)sc2c1CCCCC2	CoCoCo_2662418,PC-id_97991758	571.711	GFJVUFXBSXGVFC-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159309
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccccc2OC)C)sc2c1CCCCC2	CoCoCo_2662557,PC-id_98229464	571.711	JNWRPWWCOWQTRR-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159310
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCCCC2	PC-id_97991699,CoCoCo_2661835	571.711	DJPKOOJRDPLRME-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159311
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccc(cc2)OC)C)sc2c1CCCCC2	PC-id_97991700,CoCoCo_2661836	571.711	DJPKOOJRDPLRME-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159312
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2cccc(c2)OC)C)sc2c1CCCCC2	PC-id_97991757,CoCoCo_2662417	571.711	GFJVUFXBSXGVFC-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159313
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccccc2OC)C)sc2c1CCCCC2	PC-id_98229465,CoCoCo_2662558	571.711	JNWRPWWCOWQTRR-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159314
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)COc2ccccc2)C)sc2c1CCCCC2	PC-id_98229423,CoCoCo_2662109	571.711	FZZGHZDWLPLCKO-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159315
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)COc2ccccc2)C)sc2c1CCCCC2	PC-id_98229424,CoCoCo_2662110	571.711	FZZGHZDWLPLCKO-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159316
O=C(OC(C)(C)C)NC1CCN(CC1)C(=O)c1cc2c(s1)/C=CC/C=NC(=N/C2)Nc1cccc(c1)S(=O)=O	SCHEMBL13591926	571.711	DQUUHZFYFBXMGQ-NCYJMUSTSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159317
CNN(C1CCNCC1)CC(C(=O)N[C@H]1CCC[C@@H](C)C(=O)NC(=C)/C(=CC=C(NC(=O)OC)/C)/c2nc1[nH]c2)N	SCHEMBL18933805	571.715	MMLAPRMMKPURRD-RGBHFGGUSA-N	00000000100010000101000000000010000000000000000000000000	31-01-159318
Cc1ccc(o1)C(=O)C(n1c2c(CCCCCC2)nn1)(n1c2c(CCCCCC2)nn1)n1c2c(CCCCCC2)nn1	PC-id_134844668	571.716	ZRRGMXHDCSMXPD-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-159319
Cc1ccc(c(c1)C)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCN(c2c1ccs2)Cc1ccccc1	PC-id_139709931	571.731	POYNRATWAPDCMV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159320
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc(OC)c2)C(=O)OCC	PC-id_3317570	571.731	RRNNEJNDYAFMQZ-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159321
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc(OCC)c2)C(=O)OC	PC-id_5110280	571.731	PWIWXHAICWNSOU-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159322
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1)C(=O)OCC	PC-id_20181153	571.731	PXFKLEYIRXEKJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159323
COC1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](C(=O)c2n1nnc2[Si](C)(C)C)OCc1ccccc1	PC-id_101857449	571.739	SIQUUUZOMNIHGF-QXQVZDIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159324
Cc1c2-c(c(cc2C=Cc2cc(c3-c2c(ccc(c3)C(C)C)C)S(=O)(=O)O)C=[N+](C(C)(C)C)[O-])cc(cc1)C(C)C	PC-id_88955516	571.769	ALKDEFKMQOVGMK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-159325
CC(c1ccc(c2-c(c1)c(cc2/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)S(=O)(=O)O)/C=[N+](/C(C)(C)C)[O-])C)C	SCHEMBL12743795	571.769	ALKDEFKMQOVGMK-MKHHQZPSSA-N	00000010100000000110000000000010000000000000000000000000	31-01-159326
s1cc2nc1CC(OC(=O)C=CC=C(CC(OC(=O)CC(N)CC2C)C)C)/C=C(/C=C/C(=C/C[N+]([O-])(C)C)/C)C	PC-id_10008242	571.771	OVTLAKKMPVSBGS-KGFCVSPCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159327
s1cc2nc1CC(OC(=O)C=CC=C(CC(OC(=O)CC(N)CC2C)C)C)C=C(C=CC(=CC[N+]([O-])(C)C)C)C	PC-id_74041557	571.771	OVTLAKKMPVSBGS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159328
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(cc(cc2C)C)C)cc1)C(=O)OCC	PC-id_19678891	571.774	VOWHBQFJTAZTSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159329
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(cc(cc2C)C)C)cc1)C(=O)OC	PC-id_19678886	571.774	VRJDFUXXGZLKKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159330
O(N(C(C1(CCCCC1)C#N)c1c2-c(c(c1)C(=O)OCC)c(ccc(c2)C(C)C)C)C(C)(C)C)C1([N+]#[C-])CCCCC1	PC-id_54229220	571.793	QIAVQYWZFXACTG-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-159331
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nn(Cc2c(Cl)cccc2F)c1	PC-id_20172252	571.913	QCLLAINOGWLBAV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159332
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn(Cc2cc(Cl)c(Cl)cc2)c1	PC-id_20173383	571.97	UWQQNDXMXRMRCG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159333
Clc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn(Cc2c(Cl)cc(Cl)cc2)c1	PC-id_20174089	571.97	PUIYAGUYEIZTKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159334
Clc1cc(NS(=O)(=O)c2cc3C(=Cc4[nH]c5c(c4CCC(=O)O)C(=O)CCCC5)C(=O)Nc3cc2)ccc1F	PC-id_68791487,SCHEMBL3797527	572.004	WWUYBAULSDFLOT-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-159335
Clc1cc(NS(=O)(=O)c2cc3/C(=C/c4[nH]c5c(c4CCC(=O)O)C(=O)CCCC5)/C(=O)Nc3cc2)ccc1F	SCHEMBL3797525,PC-id_46847745	572.004	WWUYBAULSDFLOT-AQTBWJFISA-N	00000010100000110100000000001010000000000000000000000000	31-01-159336
Clc1c(COc2ccc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)c(F)ccc1	PC-id_4615065	572.047	JGLJMGQPSSCJDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159337
Clc1c(COc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)c(F)ccc1	PC-id_9679347	572.047	JGLJMGQPSSCJDP-IBBHUPRXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159338
Clc1c(COc2cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)c(F)ccc1	PC-id_19659363	572.047	HPIDOUXNMLAPLP-IBBHUPRXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159339
Clc1c(COc2cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)c(F)ccc1	PC-id_73633850	572.047	HPIDOUXNMLAPLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159340
Clc1c(sc2c1ccc([N+](=O)[O-])c2)C(=O)N1CCN(CC1)CC(=O)Nc1sc2c(CCCCCC2)c1C#N	PC-id_22196804	572.099	IJPMPTBSFDUACG-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-159341
CC1=C(C=CC(=C1)C(=O)N2CC(C3=C(N(N=C3C(=C2)C(=O)NC(C)C)CC4=CC=C(C=C4)OC)C(F)(F)F)(C)C)F	PC-id_161145378	572.241	UNZCYMPKZGJVCF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159342
CNC(=O)CCOCCOCCNC(=O)COC1CCCCCc2c1nnn2CCOCCOCCOCCN	PC-id_163721125	572.353	LAMVLAOPXVSGHF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159343
CCN(C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I)CCN(C)C	PC-id_69069152,SCHEMBL4501712	572.478	DFIBHLPNHPZAMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159344
Brc1c2NC(=O)C(=Cc3[nH]c4CCCN(CCN(CC)CC)C(=O)c4c3C)c2ccc1NC(=O)COC	PC-id_25130628	572.494	WKXDHQKPMNDAAN-UHFFFAOYSA-N	00000010100000100100000000001010000000000000000000000000	31-01-159345
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)C)cc1	PC-id_19638080	572.54	QIDQKKLKJFBLND-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159346
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)cc1	PC-id_17304844	572.54	DPHHMRFZTWTOFW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159347
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(F)c(F)c(F)c(F)c1F)C)C(=O)OCC	PC-id_20170585	572.614	CFJRSJBZFRYILN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159348
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(F)c(F)c(F)c(F)c1F)C)C(=O)OC	PC-id_20170579	572.614	FWANIZPNDVEZNE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159349
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_5003972,CoCoCo_2661100,MCULE-8475602747,EMOLS-id_11051420	572.656	SIQKEXWKEWZUCH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159350
CC(CC(C(=O)NC1Cc2nnc(s2)CCNC(=O)C1=O)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)C	SCHEMBL21109281,PC-id_138730130	572.676	LZFXQWKDFVNFBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159351
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Oc3ccccc3)nc2)OCc2cn(nn2)CCCC1=O	CHEMBL1866399,PC-id_44485740	572.676	XWZDMZHCRBPSEJ-CZSZKKDXSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159352
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc([N+](=O)[O-])c2)C(=O)OC	PC-id_3554492	572.676	QBWSHASSDYFFDV-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159353
S(=O)(=O)(N(CC1OCc2n(nnc2)CCCC(=O)N(CC1C)C(CO)C)C)c1ccc(Oc2ccccc2)nc1	PC-id_75036147	572.676	AKRWKLFRQMBMKN-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159354
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1ccc(Oc2ccccc2)nc1	PC-id_44504964	572.676	AKRWKLFRQMBMKN-TYBLODHISA-N	00000000100000111101000000000010000000000000000000000000	31-01-159355
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1ccc(Oc2ccccc2)nc1	PC-id_44505169	572.676	AKRWKLFRQMBMKN-WATLYSKOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159356
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1ccc(Oc2ccccc2)nc1	PC-id_44505371	572.676	AKRWKLFRQMBMKN-BPYKYCOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159357
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@H](CO)C)C)c1ccc(Oc2ccccc2)nc1	PC-id_44505374	572.676	AKRWKLFRQMBMKN-CZSZKKDXSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159358
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1ccc(Oc2ccccc2)nc1	PC-id_44505375	572.676	AKRWKLFRQMBMKN-OTPAQWSUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159359
S(=O)(=O)(N(C[C@@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)C)c1ccc(Oc2ccccc2)nc1	PC-id_44505381	572.676	AKRWKLFRQMBMKN-BKSPAHHJSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159360
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)C)c1ccc(Oc2ccccc2)nc1	PC-id_44505964	572.676	AKRWKLFRQMBMKN-STWLZBDKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159361
S(=O)(=O)(N(C[C@H]1OCc2n(nnc2)CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)C)c1ccc(Oc2ccccc2)nc1	PC-id_60184704	572.676	AKRWKLFRQMBMKN-DNRQZRRGSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159362
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C)c1ccc(Oc2ccccc2)nc1	PC-id_44485048	572.676	XWZDMZHCRBPSEJ-WATLYSKOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159363
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1ccc(Oc2ccccc2)nc1	PC-id_44486343	572.676	XWZDMZHCRBPSEJ-DNRQZRRGSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159364
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C)c1ccc(Oc2ccccc2)nc1	PC-id_44486344	572.676	XWZDMZHCRBPSEJ-BPYKYCOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159365
S(=O)(=O)(N(C[C@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@H](CO)C)c2)C)c1ccc(Oc2ccccc2)nc1	PC-id_44486948	572.676	XWZDMZHCRBPSEJ-STWLZBDKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159366
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@H]1C)[C@@H](CO)C)c2)C)c1ccc(Oc2ccccc2)nc1	PC-id_44488683	572.676	XWZDMZHCRBPSEJ-OTPAQWSUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159367
S(=O)(=O)(N(C[C@@H]1OCc2nnn(CCCC(=O)N(C[C@@H]1C)[C@@H](CO)C)c2)C)c1ccc(Oc2ccccc2)nc1	PC-id_44488684	572.676	XWZDMZHCRBPSEJ-BKSPAHHJSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159368
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)CC1=CC[C@@H]2C(C)(C)[C@H]1C2	EMOLS-id_317521828,PC-id_137341977,MCULE-4053712123	572.696	VQVXHZYVYSXWPR-SYQGTJAXSA-N	00001000100011000101001000000010000000000000000000000000	31-01-159369
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC=C)C(=O)OC	PC-id_19731396	572.696	HXBUJLJASABDHN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159370
CC(C)[C@H]1/C=CC/C=CCCCCc2cc1c(n2COCC[Si](C)(C)C)C(=O)O[Se]c1ccccc1	PC-id_134872700	572.713	VQTFSQMGGMIECK-ZKVDWYNSSA-N	00000000100000110110000000000010000000000000000000000000	31-01-159371
S(=O)(=O)(NC(Cc1c2c([nH]c1)cccc2)C(=O)N/N=C/c1sccc1)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194181	572.741	BTIBAKRXQKOMKY-DPNNOFEESA-N	00000010100100100110000001100010000000000000000000000000	31-01-159372
S(=O)(=O)(NC(Cc1c2c([nH]c1)cccc2)C(=O)NN=Cc1sccc1)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_72678471	572.741	BTIBAKRXQKOMKY-UHFFFAOYSA-N	00000010100100100110000001100010000000000000000000000000	31-01-159373
Cc1c(cccc1c1cccc(c1C)NC(=O)c1nc2c(s1)CNCCC2)NC(=O)c1nc2c(s1)CNCCC2	SCHEMBL21451795,PC-id_139573081	572.744	OARBKMUUTOJRCV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159374
CCCN(C(=O)c1ccc(o1)c1ccc(cc1)S(=O)(=O)CC)CC1(C/C=C/C/2=C/C/C=C/CCc3c2cc[nH]3)CC1	PC-id_144308570	572.757	SWCKMYUHWMRNJY-TXEXDFOASA-N	00100000101000110110100000000010000000000000000000000000	31-01-159375
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1)C(=O)OCC	PC-id_23990754	572.762	RQECFMOHNJEIAA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159376
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)N)C(=O)N	PC-id_4156834	572.782	BRZJIDONDHBBLL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-159377
C/C=CC=C
/C(=C)Nc2c(CN1C(=O)c1ccc(c(c1)C)CNC(=O)CC1CCN(CC1)CCC(C)(C)C)cnn2C	PC-id_143188998	572.784	PEYVFHIRHJIXPO-SKMDOUFTSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159378
CC(c1ccc(c2-c(c1)c(C)cc2/C(=C(/c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccccc1)/c1ccccc1)C)C	PC-id_101223292	572.82	QVXZDVOWZYHXHD-VGFSZAGXSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159379
CCCCCOc1nc2c(n1Cc1ccc(cc1)Cl)C(=O)N(C(=O)C(C2)I)CCCN=O	PC-id_135268930,SCHEMBL20432089	572.824	CDUHYLATMABGDD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159380
s1c2c(CCCCC2)c(c1NC(=S)NCCCCOc1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(=O)OC	PC-id_19650378	572.865	LSQVEFLRXYHJSF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159381
CN1CCN(CC1)C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1Cl)I	PC-id_69069016,SCHEMBL4501385	572.89	OLUNFRNXZHDJCM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159382
CC[C@H](c1ccc(c(c1)[N+](=O)[O-])C(=O)O)NC(=O)N1Cc2n[nH]c(=O)n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC	PC-id_140225193	572.954	SDNZBVOMQJGYBH-MAUKXSAKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159383
C=C/C(=CC=C(\n1nc(c2c1/C(=C/c1ccc(s1)Cl)/CCCC2)C(=O)N[C@@H](c1ccccc1)C)/CCl)/Cl	PC-id_143116509	572.976	ISFNZQOEYWJCNO-XAGJRGGCSA-N	00000000100100110101000000000010000000000000000000000000	31-01-159384
ClC[C@@H]1CN(C/C=C(c2c(C1=C)c(C(=O)OC)c([nH]2)C)/OC(=O)N(C)C)C(=O)[C@H]1Cc2c(O1)ccc(c2)[N+](=O)[O-]	PC-id_117781847,SCHEMBL16348859	572.994	SKUVDKODEJUFNM-IPPNLFFESA-N	00000010100000100110000000001010000000000000000000000000	31-01-159385
COc1cc(OC)c(cc1CCC1(CC(=C(C(=O)O1)Sc1nn2c(n1)N=C(CC=C2C)C)O)C1CCCC1)Cl	PC-id_142827949	573.103	ROAKRQRRMPUIMR-UHFFFAOYSA-N	00000010100011110111100000000010000000000000000000000000	31-01-159386
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccccc1Cl	ZINC22_408971199	573.145	DIHCKEBKVYUFSH-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159387
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccc(Cl)cc1	ZINC22_408968597	573.145	ADIAJJCKSHSUCV-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159388
ClCCCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750503	573.145	CMHMEGVQECIGHB-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159389
CC1CCC(C1NS(=O)(=O)C2=C3CCCCCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(CO)O	PC-id_155278817	573.188	AXNOWOXUZOYHHW-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-159390
CC1=C(SC2=C1C(=NC(C(N2C(=N)C)NC)CC(=O)NCCCN3CCN(CC3)C)CC4CC=CC(=C4)Cl)C	PC-id_155016626	573.302	UYLRIQIBBRKRDF-UHFFFAOYSA-N	00000000100011000111000000000010000000000000000000000000	31-01-159391
CCCOCCOCCOCCNC(=O)COC1CCCCCc2c1nnn2CCOCCOCCOCCN	PC-id_163917942	573.374	JZLQWWXRTMHGPC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159392
CCOC(=O)CCNC(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I	PC-id_69072524,SCHEMBL4509110	573.419	FXDRUKMWYHJIDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159393
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2C(COCC2)CO)cc1	PC-id_77597928	573.419	WZPSVBWKHGDEEU-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159394
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2[C@H](COCC2)CO)cc1	PC-id_69067183,SCHEMBL4497669	573.419	WZPSVBWKHGDEEU-ZDUSSCGKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159395
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NC(CO)C(C)(C)C)Nc1c(cc(cc1)I)F)C	PC-id_91268586	573.463	JLXJISFTSDOMCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159396
CC(C)OCCCNC(=O)c1c(sc2c1CC(CNC2=O)(C)C)Nc1c(cc(cc1)I)F	PC-id_91471659	573.463	GPSZXMZIVSXEGF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159397
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N(C(C)(C)C)CCO)cc1	PC-id_69075610,SCHEMBL4516499	573.463	MDHXPFYNGCJENY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159398
Clc1c(CS(=O)(=O)c2cc3/C(=C/c4[nH]c5c(CCCCC5)c4CCC(=O)O)/C(=O)Nc3cc2)c(Cl)ccc1	PC-id_60113757,SCHEMBL6696142	573.487	IRTOFBJGAMIKOA-ZHZULCJRSA-N	00000010100000110100000000001010000000000000000000000000	31-01-159399
Clc1c(CS(=O)(=O)c2cc3C(=Cc4[nH]c5c(CCCCC5)c4CCC(=O)O)C(=O)Nc3cc2)c(Cl)ccc1	PC-id_72651844	573.487	IRTOFBJGAMIKOA-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-159400
O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2OCc2ccc(Br)cc2)sc2c1CCCCCC2	ZINC22_408973837	573.543	VQPXFSINCKQVOW-FMFFXOCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159401
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)sc2c1CCCCCC2	ZINC22_408973875	573.543	WCLLWNOULUEPNJ-FMFFXOCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159402
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)sc2c1CCCCCC2	ZINC22_408970534	573.543	AZVKUWBAZVIBEJ-FMFFXOCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159403
CC(C)(C)OC(=O)N(c1ncc(cc1)C(=O)C1CCCc2c(C1=O)sc(n2)NC(=O)N(C)C)C(=O)OC(C)(C)C	PC-id_88942052,SCHEMBL12649402	573.661	SPFMGNVPZVHTME-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-159404
Brc1n(c2c(C(=CCN(C2=O)COCC[Si](C)(C)C)CC(=O)OCC)c1)COCC[Si](C)(C)C	SCHEMBL7848605,PC-id_23223531	573.668	GBAWOCMEHZAPCX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-159405
Brc1n(C([Si](C)(C)C)OCC)c2c(C(=CCN(C([Si](C)(C)C)OCC)C2=O)CC(=O)OCC)c1	PC-id_19960783,SCHEMBL7848603	573.668	CUNNGNXJQGWLPS-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-159406
BrC(C1=CCN(C(=O)c2n(COCC[Si](C)(C)C)ccc12)COCC[Si](C)(C)C)C(=O)OCC	PC-id_19960787,SCHEMBL7849797	573.668	VWGAYJUFBXXLJA-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-159407
BrCc1n(c2c(c1)C(=CCN(C2=O)COCC[Si](C)(C)C)C(=O)OCC)COCC[Si](C)(C)C	SCHEMBL7849801,PC-id_70207032	573.668	KAGVTPSYHIPKMM-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-159408
COc1ccc(cc1)CN1CCCN(c2c1scc2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	PC-id_139709946	573.704	MARZSFWYYISOHA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159409
COc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCN(c2c1ccs2)Cc1ccccc1	PC-id_139709975	573.704	GDIXGJDAPHHWMH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159410
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC#C)ccc(c2)C)C(=O)OC	PC-id_5236615	573.704	ZGCUONUENFQPAU-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159411
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC#C)cccc2)C(=O)OCC	PC-id_4113903	573.704	QWUXNYQGYUXSPG-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159412
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-5077955918,PC-id_3439004,EMOLS-id_11051680	573.727	IFQUSEMUEBKJRC-UHFFFAOYSA-N	00000000101000000101000000000010000000000000000000000000	31-01-159413
CCCCn1c(nnc1CNC(=O)c1ccco1)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2)C	PC-id_97991723,CoCoCo_2662330	573.727	IFQUSEMUEBKJRC-KRWDZBQOSA-N	00000000101000000101000000000010000000000000000000000000	31-01-159414
CCCCn1c(nnc1CNC(=O)c1ccco1)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2)C	PC-id_97991724,CoCoCo_2662329	573.727	IFQUSEMUEBKJRC-QGZVFWFLSA-N	00000000101000000101000000000010000000000000000000000000	31-01-159415
CCOC(=O)c1c(NC(=O)CSC2=N/C(=C/c3cn(C)nc3C)/C(=O)N2CCCOC)sc2c1CCCCC2	EMOLS-id_25983849,TIMTEC256703,ZINC22_101610822,PC-id_19576007	573.727	KCAGTUWHPWVFEH-XSFVSMFZSA-N	00000011100000000101000000000010000000000000000000000000	31-01-159416
N1(CCCOC)C(=O)C(=Cc2cn(nc2C)C)N=C1SCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	MCULE-9352946770,PC-id_71834705	573.727	KCAGTUWHPWVFEH-UHFFFAOYSA-N	00000011100000000101000000000010000000000000000000000000	31-01-159417
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3ccccc3)CCCNC(=O)Cn1nc(C)n2	PC-id_137339324,MCULE-7213399368,ZINC22_1772713559,EMOLS-id_317501606	573.729	PFSHJIJWZXDCHV-OFSOJUDTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159418
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c2ccc(CC)cc2)c1C#N)C#N)C(=O)OCC	PC-id_24138471	573.729	DHUNRRSKWPHMIC-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-159419
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c2ccc(C(C)C)cc2)c1C#N)C#N)C(=O)OC	PC-id_24084201	573.729	GJIDNOCUQYQPTI-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-159420
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c1C#N)c1ccc(cc1)C)C#N)C(=O)OCC	PC-id_24001241	573.729	LRXGDLMJBRCVEP-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-159421
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c2ccc(CC)cc2)c1C#N)C#N)C(=O)OC	PC-id_24111206	573.729	SIBNHMALOSUVMI-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-159422
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc(OC)c2)C(=O)OCC	PC-id_3467769	573.747	GZNHAARXXFDBOC-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159423
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc(OCC)c2)C(=O)OC	PC-id_4585594	573.747	VZXBUKMBQOBHIH-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159424
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1)C(=O)OCC	PC-id_19678970	573.747	RUHXXNBIBYWJGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159425
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(OC)cccc2)cc1)C(=O)OCC	PC-id_19679067	573.747	VCXYRKANVLAMDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159426
s1c2CCCCCc2cc1C(=O)Nc1c(c(C2CC(N(C)c3ncc(cc3)C(=O)N(CC)C)C(=O)NC2)ccc1)C	PC-id_77571639	573.749	WTCKEGXVNUVAOG-UHFFFAOYSA-N	00000000100010111100100000000010000000000000000000000000	31-01-159427
CCCN(CCN1CCN(CC1)C(=O)/C=C/c1ccc(cc1C)C(=O)N1C/C(=CC=C/C)/Nc2c(C1)cnn2C)CC	PC-id_143188635	573.772	KDEHSEIWDKUHLZ-IOADDJJRSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159428
Cc1cccc(Cn2c(C)c(/C=N/c3sc4c(c3C(=O)Nc3cc(C)ccc3C)CCCCCC4)c3ccccc23)c1	ZINC22_408969505	573.79	OZCOKXRIKTVLPB-NNLKUIAGSA-N	00000000100000110100000001100010000000000000000000000000	31-01-159429
CC(c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)S(=O)(=O)CC1(C)CCC1	SCHEMBL19553841	573.81	INZWQDPXGZALPO-UHFFFAOYSA-N	00001000100010101100000000000010000000000000000000000000	31-01-159430
CC/C=C(/NCC1=CCC(=CC=N1)OC1=CCc2c(CC=C1)n(c(n2)Nc1ccc(cc1)Br)C)C=C/CC	PC-id_142815478	574.554	QAMRROWLPMSYBR-HWPFESQHSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159450
C[C@@H](c1sc2c(c1C)C(=O)N(CCC2)Cc1c(C)cc([nH]c1=O)C)C1CCN(CC1)S(=O)(=O)CC1(C)CCC1	SCHEMBL19553843	573.81	INZWQDPXGZALPO-OAQYLSRUSA-N	00001000100010101100000000000010000000000000000000000000	31-01-159431
COC1=CC=c2c(=CC1)c(/C=C/ON1CCCN(CC1)CCc1ccc(cc1)C)c(n2CCCN1CCN(CC1)C)C	PC-id_144846941	573.812	COZSDVSZSIEVJH-LQKURTRISA-N	00000000100010110111000000000010000000000000000000000000	31-01-159432
s1c2c(CCCCCC2)c(c1NC(=O)CSCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCC	PC-id_4228773	573.85	AZFIIDGMMPPQIP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159433
[S+]1=CC=CC1=C(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2	PC-id_11802961	573.893	NETVCGJBTSOCND-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-159434
[S+]1=CC(=C(c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)C=C1	PC-id_10532904	573.893	VIVROFIJUCBGHH-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-159435
CC[C@H](c1ccc(c(c1)[N+](=O)[O-])C(=O)O)NC(=O)N1Cc2noc(=O)n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC	PC-id_140225224	573.939	JDNWYRQZCZLLLH-MAUKXSAKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159436
Clc1sc(S(=O)(=O)N2CCC(CC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_44005857	574.133	XPEKHEFOHCFOHR-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-159437
Clc1sc(S(=O)(=O)N2CC(CCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_44028034	574.133	BVEVQFIWORFSJS-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-159438
Clc1sc(S(=O)(=O)N2C(CCCC2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC(=O)OCC)cc1	PC-id_44029152	574.133	XESBEKZAHNIICB-UHFFFAOYSA-N	00000000100110000100000000000010000000000000000000000000	31-01-159439
CCC(=O)C1=C(N(N=N1)CCN2C3=C(C(=O)CCC(=O)C=CSCSC=CC(=O)NNC3=O)N=N2)C(=O)CC	PC-id_160763043	574.142	RYIBAVZDGYRFPK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159440
CC(=S)CC(c1ccc2-c(cc1)c(cc2CCCCNS(=O)(=O)c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C	PC-id_139605585	574.194	ZJBNNKDFVIJWNX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159441
Clc1c(CNC(=O)N2C(CCC2)C(=S)N2CCCN(CC2)C)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_75010578	574.201	IOOCNUDRIJJIAZ-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-159442
CN1CCCN(C(=S)[C@@H]2CCCN2C(=O)NCc2ccc(C(=O)N3CCCCc4sccc34)cc2Cl)CC1	CHEMBL185152,PC-id_44394063,BindingDB_PC-id_44394063	574.201	IOOCNUDRIJJIAZ-DEOSSOPVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-159443
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC1CSCN1)Nc1c(cc(cc1)I)F)C	PC-id_90931562	574.474	PJMIHBGZDRFJCR-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-159444
CCOc1c(c(cc(c1)C=Nc1c(c2c(s1)CCCCCC2)C(=O)Nc1ccccc1)I)O	PC-id_137051455	574.474	OMRVKUCKEMURRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159445
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(I)c1O	ZINC22_408972260	574.474	OMRVKUCKEMURRD-LQKURTRISA-N	00000000100000110100000000000010000000000000000000000000	31-01-159446
OC(=O)C1CC2CCC(C1)N2Cc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700439	574.515	HERRCGSQDMAKRR-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-159447
CC(C[C@@H]1NC(=O)CCCCCCCCc2nnn(CCCCCCCCOC1=O)c2I)C	PC-id_102340509	574.538	JVEWNHRJKUXOGM-QFIPXVFZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159448
Brc1ccc(OC(c2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)C)cc1	PC-id_19637962	574.556	ZTLOAQRUISCCLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159451
Clc1ccc(cc1)C(c1ccc(cc1)Cl)N1CCN(CC1)CCCC(=O)c1sc2c(c1)C(=O)NCCS2	PC-id_21471978,SCHEMBL8991854	574.585	YELXDPPWWBKDLP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159452
FC(F)(F)c1c(COC(=O)N2CCCn3c(nnc3C2)[C@H](NC(=O)C(N)(C)C)COCc2ccccc2)cccc1	SCHEMBL11915352,PC-id_58783710	574.595	LEDLOOBUPCNHLK-JOCHJYFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159453
FC(F)(F)c1c(COC(=O)N2CCCn3c(nnc3C2)C(NC(=O)C(N)(C)C)COCc2ccccc2)cccc1	PC-id_72422579	574.595	LEDLOOBUPCNHLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159454
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)C(=O)N	PC-id_5047369	574.611	LKWFXAISKMGFRQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-159455
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)C	PC-id_137338663,ZINC22_1772714607,EMOLS-id_317514660,MCULE-8163145943	574.628	ZNMFEYGLCWZDKE-OWAUWMPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159456
c12cc(on1)CN(CCC)CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1	MCULE-9547629474,PC-id_137337954,ZINC22_1772702186,EMOLS-id_317492850	574.671	RFHFXVKMULMYNY-BYXVTNLJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159457
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc3OCOc3cc2)nn1)C)C(=O)OCC	PC-id_23878300	574.692	WJUQIDOMASAFGL-UHFFFAOYSA-N	00000010100000100101000000001010000000000000000000000000	31-01-159458
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc([N+](=O)[O-])c2)C(=O)OC	PC-id_4053549	574.692	LFJZJTNDFMYRAG-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159459
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2occc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18910395	574.71	GHHFFAGBSXVMSI-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-159460
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2occc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18910396	574.71	VOKVPKLSZGYART-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-159461
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC)C(=O)OCC	PC-id_19731360	574.712	AIDMGSDAWQYRBQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159462
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC)C(=O)OC	PC-id_17301887	574.712	YAQQUQYDGJYELC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159463
CNC(=O)NCc1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1cc[nH]2)NC(=O)C(C(C[C@H](O)C)(C)C)N	SCHEMBL8909451,PC-id_67723418	574.714	RWKPYTYCYKTZPR-VPXZOBDRSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159464
O=C1N(c2c([nH]cc2)CCC1NC(=O)CC(NCC(O)C)(C)C)Cc1ccc(cc1)c1c(CNC(=O)NC)cccc1	PC-id_19067035	574.714	TUPANCDQMFGFQZ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159465
O=C1N(c2c([nH]cc2)CC[C@H]1NC(=O)CC(NC[C@H](O)C)(C)C)Cc1ccc(cc1)c1c(CNC(=O)NC)cccc1	PC-id_22870089	574.714	TUPANCDQMFGFQZ-JIPXPUAJSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159466
OC(CC(C(N)C(=O)NC1CCc2[nH]ccc2N(C1=O)Cc1ccc(cc1)c1c(CNC(=O)NC)cccc1)(C)C)C	PC-id_77342065	574.714	RWKPYTYCYKTZPR-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159467
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3ccccn3)CCCNC(=O)Cn1nc(C)n2	ZINC22_1772702525,MCULE-7727808610,PC-id_137335960,EMOLS-id_317464950	574.717	WMKBJSIJZILIDY-UHSQPCAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159468
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3cccnc3)CCCNC(=O)Cn1nc(C)n2	PC-id_137337652,ZINC22_1772704114,EMOLS-id_317479040,MCULE-1232242471	574.717	MDWNWRVLARSKJA-UHSQPCAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159469
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3ccncc3)CCCNC(=O)Cn1nc(C)n2	ZINC22_1772713622,PC-id_137339829,EMOLS-id_317498539,MCULE-2291996460	574.717	PLICJNJWFJISSH-UHSQPCAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-159470
Cc1cc(C)c2-c(c(c1)C)ccc2N=Nc1cccc(c1)N=Nc1cccc(c1)N=Nc1ccc2-c1c(C)cc(cc2C)C	PC-id_101551456	574.717	DZCDDKLXWCEEOE-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159471
Cc1cc(C)c2-c(c(c1)C)ccc2N=Nc1ccc(cc1)N=Nc1ccc(cc1)N=Nc1ccc2-c1c(C)cc(cc2C)C	PC-id_101551461	574.717	MTAIXPSPVLWMSJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159472
CCCc1cc(ccc1c1ccccc1S(=O)(=O)Nc1noc(c1C)C)Cn1c(CCC)nc2c1C(=O)CCCC2	SCHEMBL4767060,PC-id_69180845	574.734	WAIWMLBJZHNEOY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159473
CCCc1cc(ccc1c1ccccc1S(=O)(=O)Nc1noc(c1C)C)Cn1cnc2c1C(CCCC2)C(C=O)C	PC-id_88211099,SCHEMBL7852196	574.734	UWXRFCXEBYJRHG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159474
CCCc1cc(ccc1c1ccccc1S(=O)(=O)Nc1onc(c1C)C)Cn1c(CCC)nc2c1C(=O)CCCC2	SCHEMBL4769179,PC-id_57304831	574.734	GYUBTRRUXIUPCB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159475
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(CSC2=NCCS2)c(OC)cc1)C(=O)OCC	PC-id_5051647	574.735	OEUAHBRHKUUBSI-UHFFFAOYSA-N	00000011100000110101000000000010000000000000000000000000	31-01-159476
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(CSC2=NCCS2)c(OC)cc1)C(=O)OCC	PC-id_9605302	574.735	OEUAHBRHKUUBSI-CCVNUDIWSA-N	00000011100000110101000000000010000000000000000000000000	31-01-159477
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2ccc(OCC)cc2)nn1)C)C(=O)OCC	PC-id_23739546	574.735	MNJQNKWRLGIYNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159478
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2ccc(OC(C)C)cc2)nn1)C(=O)OCC	PC-id_23997132	574.735	PKLQSSOUXJFPBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159479
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2c(OCC)cccc2)nn1)C)C(=O)OCC	PC-id_23884077	574.735	LTKUPTZJWZTKHB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159480
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)Cc2ccc(OC)cc2)nn1)C)C(=O)OCC	PC-id_23852575	574.735	IKDPDAYBUCSRGT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159481
c1(NC(=O)CCCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)sc2c(CCCCCC2)c1C(=O)OC	EMOLS-id_4195898,TIMTEC151722,CoCoCo_6785807,PC-id_1752410,MCULE-8497020661,SPECS-id_AK-968/37272027,ZINC22_2096010	574.752	FOXIDORLJFTCST-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-159482
s1c2c(CCCCC2)c(c1NC(=O)CCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C(=O)OCC	PC-id_5057944	574.752	JFFNTFBTURFQDL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-159483
s1c2c(CCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(Oc2ccccc2)ccc1)C)C(=O)OCC	PC-id_19679573	574.757	RIDUJOQVGICATB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159484
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(Oc2ccccc2)ccc1)C)C(=O)OC	PC-id_19679566	574.757	KBLAIROIOVCDKZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159485
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)CC)C(=O)OCC	PC-id_19718392	574.778	SKWSKAFAKUZYKS-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-159486
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC2OCCC2)c(nn1)c1cc(sc1)CC)C(=O)OC	PC-id_19718291	574.778	FCFYFEQMRHOSLA-UHFFFAOYSA-N	00000010100100000101100000000010000000000000000000000000	31-01-159487
CC(c1ccc(c2-c(c1)c(C)cc2C(C(c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccccc1)c1ccccc1)C)C	PC-id_101223291	574.836	PCZQYZAQJLNMMO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159488
CC(c1ccc(c2-c(c1)c(C)cc2[C@@H]([C@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccccc1)c1ccccc1)C)C	PC-id_101229412	574.836	PCZQYZAQJLNMMO-CXNSMIOJSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159489
CC(c1ccc(c2-c(c1)c(C)cc2[C@H]([C@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccccc1)c1ccccc1)C)C	PC-id_101229413	574.836	PCZQYZAQJLNMMO-PIYFIQLCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159490
CC(c1ccc(c2-c(c1)c(C)cc2[C@H]([C@@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccccc1)c1ccccc1)C)C	PC-id_101229414	574.836	PCZQYZAQJLNMMO-NDOUMJCMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159491
OCC(CN1CC(=O)N(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)Oc1cccc(c1)OC(F)(F)F)C)(F)F	SCHEMBL21345328,PC-id_139478627	574.884	CFEOGKGRUFBGTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159492
s1c(C(c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)ccc1	PC-id_10745710	574.901	HQVSESWDDQEUEK-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-159493
s1cc(C(c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)cc1	PC-id_11801257	574.901	OJJHJLQJOZDWEL-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-159494
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cc1)C	PC-id_19634419	575.142	INTAGAQOWJSAKJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159495
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cc1)C	PC-id_20122159	575.142	UCGWQTPDHOPFQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159496
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cc1C)C	PC-id_19634707	575.142	QCXBHMPTIJKQTH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159497
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)C)cc1)C	PC-id_19641277	575.142	REMRMIOFRMEHNQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159498
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)C)cc1)C	PC-id_20122432	575.142	MZFQNZLKBZVCRI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159499
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)cc1)C	PC-id_19634363	575.142	CZBSXBJNSRQZEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159500
Clc1cc(c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)cc1)C	PC-id_20122105	575.142	KTMCKJZYUUUGFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159501
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)C)ccc1	PC-id_20122870	575.142	FIMPWKJYSXLXHY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159502
Clc1cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)C)ccc1	PC-id_20122800	575.142	FICXJMNIFVDXCA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159503
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cc(cc1)C	PC-id_21164217	575.142	VCWYLPRBLLPYDK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159504
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)C)cccc1	PC-id_19638841	575.142	KXCRNTALOIBDEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159505
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)C)cc(cc1)C	PC-id_19635329	575.142	LKGYJCFFMOCZBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159506
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)cc(cc1)C	PC-id_21164138	575.142	VEBWWZNHCGQNIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159507
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)C)cccc1	PC-id_19638763	575.142	UDGJNFAFMCGKAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159508
C[N@@H+]1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2c1ccs2	GD-id_ZINC28372890	575.209	IOOCNUDRIJJIAZ-DEOSSOPVSA-O	00000010100000110101000000000010000000000000000000000000	31-01-159509
CCN1N[C@@H](CNc2c(C1=O)n(Cc1cc(Br)c3c(c1)CCO3)c(n2)Br)Cc1ccccc1	PC-id_142218522	575.296	DQVBPJSKMWZNMI-GOSISDBHSA-N	00000010100000110101000000001010000000000000000000000000	31-01-159510
CC1/C=C/C(=O)NC/C=C/C(=C/C(CC(=C)CC2=NC(=CO2)C(=O)NC(C(=O)OC1C(C)C)CC3=CC=CC=C3)O)/C	PC-id_161896858	575.3	YEWJXUOCPZYEFK-NWPJJFPMSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159511
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=C)CC2=NC(=CO2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)CC3=CC=CC=C3)O)/C	PC-id_160339052	575.3	YEWJXUOCPZYEFK-LEFRLFPJSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159512
CCC1CCC(=O)c2c(CCC(C1O)CCO)nc(n2Cc1cc(c(cc1)O/C=C/C=CC=C)C)NC1CCCCC1	PC-id_163874101	575.372	PNIRCBDYHBGOOA-LXRFHZMCSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159513
Brc1ccc(cc1)C(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)OC(=O)c1cccc(c1)[N+](=O)[O-]	PC-id_102526299	575.45	CAFVCJDWHUKFRS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159514
C/C(=C[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)[C@H](CCCc2nc(C1)sc2)NS(=O)(=O)C)/Br	PC-id_122597579,SCHEMBL18123418	575.536	ANCVWLQJRUUVGW-AGLRGSFXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159515
Brc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_17301428	575.541	HXDQJSPPKSPOHK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159516
Brc1ccc(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_17267219	575.541	YPOYHMAAZVFQOA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159517
CCC1(CC)CNCCN1C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700406	575.546	WBFCCUUGYXYWLX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159518
CCN1CCN(C(C1)(C)C)C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700509	575.546	ZFUQSWBDFXHHHG-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159519
Brc1ccc(Cn2nc(c(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c2C)C)cc1	PC-id_19679252	575.584	RILVWPSVKUXJBS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159520
Brc1c(n(nc1C)Cc1cc(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)ccc1)C	PC-id_20171392	575.584	SWBLTSUOMZNVMR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159521
COc1ccc(cc1)N(CC(=O)c1cc(c2-c1ccccc2)C(=O)OC)CC(=O)c1cc(c2-c1ccccc2)C(=O)OC	PC-id_101134818	575.607	MYJKINMXYNZPAR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159522
N#CC(=C(c1cc(c2-c1cccc(c2)C(C)C)C(=O)OC)C(=c1ccc(=C(C#N)C#N)cc1)c1ccc(cc1)N(C)C)C#N	PC-id_102233617	575.658	HNFZRWGUKKVSLT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159523
N#CC(=C(C(=c1ccc(=C(C#N)C#N)cc1)c1cc(c2-c1cccc(c2)C(C)C)C(=O)OC)c1ccc(cc1)N(C)C)C#N	PC-id_102233616	575.658	ONCJJYABRPKZPQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159524
[C@@](C)(C/C=CC/C(=C/[C@H]1[C@@H]([C@H](CC(C)CCc2occ(n2)/C(=C/[C@@H]([C@H](/C=C/C(=O)O1)C)O)/C)OC)O)/C)(O)C(=O)O	CMNPD15942	575.69	KFADULKPDCBNLW-QFLUHURASA-N	00000000100000000111000000000010000000000000000000000000	31-01-159525
C/C(=C[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)/C=C(C)/c2nc(CCC(C[C@H]([C@@H]1O)OC)C)oc2)/C/C=CC[C@@](C(=O)O)(O)C	PC-id_101417453	575.69	KFADULKPDCBNLW-GMUBMZOXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159526
C/C(=C[C@@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)/C=C(C)/c2nc(CC[C@@H](C[C@@H]([C@H]1O)OC)C)oc2)/C/C=CC[C@@](C(=O)O)(O)C	UNPD29576	575.69	KFADULKPDCBNLW-OCGUAYOVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159527
C[C@H]1/C=C/C(=O)O[C@H](C(C(CC(CCc2nc(co2)/C(=C/C1O)/C)C)OC)O)/C=C(C)/C/C=CC[C@@](C)(C(=O)O)O	PC-id_135030705	575.69	KFADULKPDCBNLW-FIRJDSAFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159528
C[C@H]1/C=C/C(=O)O[C@H](C([C@H](CC(CCc2nc(co2)/C(=C/C1O)/C)C)OC)O)/C=C(C)/C/C=CC[C@@](C)(C(=O)O)O	PC-id_135030943	575.69	KFADULKPDCBNLW-NOIXCLTNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159529
O=C1OC(C=C(C)C/C=C/CC(O)(C(=O)O)C)C(O)C(OC)CC(C)CCc2nc(co2)/C(=C/C(O)C(/C=C/1)C)/C	PC-id_73238877,CNP0112511	575.69	KFADULKPDCBNLW-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159530
O([C@H]1CC(CCc2occ(n2)/C(=C/[C@H](O)[C@H](/C=C/C(=O)O[C@H]([C@@H]1O)/C=C(/CC=CC[C@@](O)(C)C(=O)O)C)C)/C)C)C	PC-id_16087495	575.69	KFADULKPDCBNLW-YKWUMUBNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159531
CCNC(=O)c1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1cc[nH]2)NC(=O)CC(NC[C@@H](CO)O)(C)C	SCHEMBL8909222,PC-id_22870096	575.698	WFKBHGBRICRXHJ-WNCULLNHSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159532
O=C1N(c2c([nH]cc2)CCC1NC(=O)CC(NCC(O)CO)(C)C)Cc1ccc(cc1)c1c(cccc1)C(=O)NCC	PC-id_19067031	575.698	WFKBHGBRICRXHJ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159533
CC(C)[N+](C)(CCNC(=O)c1c(c2c(s1)N=CCCC=C2Nc1c(cc(cc1)F)OC1CCOCC1)OC)OC	PC-id_91186846	575.715	UARXJDZXFAHWPS-UHFFFAOYSA-O	00000000100010110110000000000010000000000000000000000000	31-01-159534
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc(c2)C(=O)OCC)C(=O)OC	PC-id_4341560	575.72	BTVYEDWFIUUDQK-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159535
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc(c2)C(=O)OC)C(=O)OCC	PC-id_4093783	575.72	UAJYEOSLXLROPH-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159536
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc(c2)C(=O)OC)C(=O)OC	PC-id_4459809	575.72	OAZLTNSWVDXZIG-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159537
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OC)ccc(c2)C)C(=O)OC	PC-id_4165621	575.72	HXFZFNZYPXGMGO-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159538
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OC)cccc2)C(=O)OCC	PC-id_5129361	575.72	TWTTYJDOVLWIKU-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159539
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)cccc2)C(=O)OC	PC-id_4290300	575.72	KLXDGNBDKSSNNK-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159540
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC=C)ccc(c2)C)C(=O)OC	PC-id_4614374	575.72	ISSVPSQWOLNGTH-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159541
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC=C)cccc2)C(=O)OCC	PC-id_4094453	575.72	JECOFEZZALXVAP-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159542
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2)cc1)C(=O)OCC	PC-id_20167576	575.723	BZKDSUFKWAVDLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159543
c1(NC(=O)CSc2c3ccccc3n(CCNC(=O)c3ccccc3)c2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_5440201,PC-id_4084165,MCULE-3074605946,ZINC22_97963736,CoCoCo_4983494	575.741	CICSKUJJSCKPSF-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-159544
C/C=C(/C=C(/CC(C1OC(=O)/C(=C/c2csc(n2)C(CO)CC(CC(/C=C/C=CCC(C1O)O)O)O)/C)C)C)C	SCHEMBL10000003	575.756	ULXHPHBUCIARNL-ZPEWZYFBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159545
CC=C(C)C=C(C)CC(C)C1C(C(CC=CC=CC(CC(CC(c2nc(cs2)C=C(C(=O)O1)C)CO)O)O)O)O	PC-id_88547635	575.756	ULXHPHBUCIARNL-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159546
CC=C(C)C=C(C)CC(C)C(C1(C(CC=CC=CC(CC(C(c2nc(cs2)C=C(C(=O)O1)C)CO)O)O)O)C)O	PC-id_88553111	575.756	PODAQLFLGIZESK-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159547
OCC1C(O)CC(O)/C=C/C=CCC(C(OC(=O)/C(=C/c2nc1sc2)/C)(C)C(C(C/C(=C/C(=C/C)/C)/C)C)O)O	SCHEMBL10021979	575.757	PODAQLFLGIZESK-JLEDVHQYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159548
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc(OCC)c2)C(=O)OCC	PC-id_3296965	575.763	OATZMSHVXXYPEW-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159549
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOC)ccc(c2)C)C(=O)OCC	PC-id_3673054	575.763	ATQOZRDYWAOJIT-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159550
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOCC)ccc(c2)C)C(=O)OC	PC-id_4129170	575.763	SHCHCZYSSGBXBE-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159551
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOCC)cccc2)C(=O)OCC	PC-id_4416781	575.763	XVJGREWQRWNTIP-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159552
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700366,CoCoCo_2661461,PC-id_4131922,MCULE-9340185311	575.766	SZNNUNLCVOCYEC-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-159553
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(cc2)Cl)sc2c1CCCCC2	PC-id_121041249	576.084	HTFMLZQUPDFBLW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159554
CCOC(=O)NC(=O)c1c(NC(=O)c2cccc(c2)NS(=O)(=O)c2ccc(cc2)Cl)sc2c1CCCCC2	PC-id_121043093	576.084	CKHNALGPXGHOQU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159555
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(cc2)NS(=O)(=O)c2ccc(cc2)Cl)sc2c1CCCCC2	PC-id_121045112	576.084	AGRUFPCVDIFVAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159556
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)CC#C	PC-id_4564596	576.15	RULXHTZLPPIYRQ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159557
CC(=O)[C@H](CCSC)NNC(=O)C1CCCCCNC(=O)C(CC2=CN(CCCC1)N=N2)NC(=O)[C@H](CC#C)N	PC-id_164957240	576.321	JMJPNZGUYARIAL-CNHJLYCKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159558
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)C)ccc(Cl)c1	PC-id_19639980	576.561	JDDVPOPLBNOXHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159559
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)C)cc(Cl)cc1	PC-id_17306514	576.561	DUUYEJUAWXAREA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159560
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4CCCCCc4c3C#N)nn2)CC=C)ccc(Cl)c1	PC-id_20123111	576.561	UWLQIMADHOUKQM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159561
O=C(Oc1nn2c(c1)C(=O)N(CCC2)CCCNC1=NCCN1)NC[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C	PC-id_139696375	576.625	WIMNJGWXWGCGLT-SFHVURJKSA-N	00000011100000110101000000000010000000000000000000000000	31-01-159562
CCc1c(Cc2cccc(c2)[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)cc2-c1ccccc2	SCHEMBL14590112,PC-id_58786141	576.634	MZQOOKLBVXWXOE-LNALEXQMSA-N	00000010100010110110100000000010000000000000000000000000	31-01-159563
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C)c1cc(Cc2c(c3-c(c2)ccccc3)CC)ccc1	PC-id_72423633	576.634	MZQOOKLBVXWXOE-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-159564
c12cc(on1)CN(CCO)CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1	MCULE-6576848670,PC-id_137334897,ZINC22_1772704116,EMOLS-id_317480063	576.643	RTSNFMMCCNAZOR-AMDXRBSFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159565
CN1Cc2c(C1=O)cccc2C(=O)N=CC1CCC(CC1)CCN1CCc2c(CC1)nc(s2)OC(C(F)(F)F)C	PC-id_145451433	576.673	LGKMASHJUHAWBJ-UHFFFAOYSA-N	00000010100010100101000000001010000000000000000000000000	31-01-159566
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC=C)C(=O)OCC	PC-id_17305892	576.678	YVQOJVIOQBHCFD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159567
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1c(F)cc(F)cc1)C)CC=C)C(=O)OC	PC-id_19635663	576.678	CQKILRJHQYHWGA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159568
Fc1ccc(cc1)CS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCC1)/C(=O)N2	PC-id_25130954,SCHEMBL3144862	576.682	FCFZFAQLZAWJCE-BWAHOGKJSA-N	00000010100000110100000000001010000000000000000000000000	31-01-159569
S(=O)(=O)(c1cc2C(=Cc3[nH]c4CCCN(CCN5CCCC5)C(=O)c4c3C)C(=O)Nc2cc1)Cc1ccc(F)cc1	PC-id_68527884	576.682	FCFZFAQLZAWJCE-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-159570
O=C1N(c2c([nH]cc2)CCC1NC(=O)CC(NCC(O)CO)(C)C)Cc1ccc(cc1)c1c(NC(=O)NC)cccc1	PC-id_19067061	576.686	YJMZWWFMGHPIBH-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159571
O=C1N(c2c([nH]cc2)CC[C@H]1NC(=O)CC(NC[C@H](O)CO)(C)C)Cc1ccc(cc1)c1c(NC(=O)NC)cccc1	PC-id_22870086,SCHEMBL8909790	576.686	YJMZWWFMGHPIBH-BKMJKUGQSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159572
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc[nH]1	ZINC22_1772713387,PC-id_137343334,MCULE-2995949708,EMOLS-id_317482407	576.69	IPIJKBVWQQCMPE-SQHAQQRYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-159573
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cc[nH]c1	EMOLS-id_317520506,MCULE-1569014704,PC-id_137337412,ZINC22_1772703444	576.69	FYKKPWNVUFYJAC-SQHAQQRYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-159574
CCCc1nc2c(n1Cc1ccc(c3ccccc3S(=O)(=O)Nc3onc(C)c3C)c(COC)c1)C(=O)CCCC2	SCHEMBL4764959,BindingDB_PC-id_17979733,PC-id_17979733,CHEMBL268706	576.706	NTIXHLLTWTYLBJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159575
CCCc1nc2c(n1Cc1ccc(c(c1)C(O)C)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	PC-id_69179936,SCHEMBL4764923	576.706	DFOWPVLWLVJSIR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159576
CCCc1nc2c(n1Cc1ccc(c(c1)C(O)C)c1ccccc1S(=O)(=O)Nc1onc(c1C)C)C(=O)CCCC2	PC-id_69184216,SCHEMBL4775156	576.706	OJKYMPQJCSXCPW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159577
COCc1cc(ccc1c1ccccc1S(=O)(=O)Nc1noc(c1C)C)Cn1c(CCC)nc2c1C(=O)CCCC2	SCHEMBL4769610,PC-id_54360540	576.706	UMEGOWDFGWCXJI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159578
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc(OC)cc(OC)c2)nn1)C(=O)OCC	PC-id_24045575	576.708	ZUSJNBHRWRIXNU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159579
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2cc(OC)c(OC)cc2)nn1)C(=O)OCC	PC-id_23765803	576.708	BWAFFZKBZCVFDA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159580
s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(NC(=O)c2c(OC)c(OC)ccc2)nn1)C(=O)OCC	PC-id_23798733	576.708	XIVWAMOAKUZTOH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159581
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc([N+](=O)[O-])c2)C(=O)OCC	PC-id_3430403	576.708	LXHAHXRLPGRQDR-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159582
s1c2c(CCCCC2)c(c1NC(=O)COCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C(=O)OCC	PC-id_4461796	576.725	YMKOEEXSTWGJTP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-159583
CCNC(=O)c1ccccc1c1ccc(cc1)CN1C(=O)C(CCc2c1ccs2)NC(=O)CC(NC[C@H](O)C)(C)C	SCHEMBL8910239,PC-id_67723679	576.749	PVJOBCWIMSHFID-OSMGYRLQSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159584
CCNC(=O)c1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1ccs2)NC(=O)CC(NC[C@H](O)C)(C)C	PC-id_22870095,SCHEMBL8910242	576.749	PVJOBCWIMSHFID-QFQXNSOFSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159585
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2sccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18911186	576.749	RZPBJYQKQATCOO-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-159586
s1c2CCC(NC(=O)CC(NCC(O)C)(C)C)C(=O)N(c2cc1)Cc1ccc(cc1)c1c(cccc1)C(=O)NCC	PC-id_19067037	576.749	PVJOBCWIMSHFID-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159587
SCC/C=C/[C@H]1OC(=O)[C@@H](NC(=O)C(C)(C)N=C(c2nc(CNC(=O)C1)sc2)SC)Cc1ccc(cc1)O	PC-id_118613790	576.751	GWJRVMHCXBJVRC-XDXKZGTDSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159588
SCC/C=C/[C@H]1OC(=O)[C@@H](NC(=O)C(C)(C)/N=C(/c2nc(CNC(=O)C1)sc2)SC)Cc1ccc(cc1)O	SCHEMBL17380042	576.751	GWJRVMHCXBJVRC-OUWJZSCNSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159589
CC1CC(CN(C1)CCC(=O)Nc1cccc(c1)NC1=NCc2c(C=CCC=N1)sc(c2)C(=O)N1CCOCC1)C	PC-id_89125948	576.753	HRGRWTMLCFZRRV-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159590
CC1CN(CCC(=O)Nc2cccc(c2)N/C/2=N/Cc3cc(sc3/C=CC/C=N2)C(=O)N2CCOCC2)CC(C1)C	SCHEMBL13592022	576.753	HRGRWTMLCFZRRV-UUDXYMBXSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159591
CCOC1(C)O/C(=Cc2cc(c3-c2c(C)ccc(c3)C(C)C)C)/C(=O)/C(=C/c2cc(c3-c2c(C)ccc(c3)C(C)C)C)/O1	SCHEMBL12474760	576.764	NANCJNFTHWFCRY-XCUVAWFXSA-N	00000010100010000111000000000010000000000000000000000000	31-01-159592
O1C(=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)C(=O)/C(=C/c2c3-c(c(c2)C)cc(C(C)C)ccc3C)/OC1(OCC)C	PC-id_60163513	576.764	NANCJNFTHWFCRY-BBMYTDNQSA-N	00000010100010000111000000000010000000000000000000000000	31-01-159593
O1C(=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)C(=O)C(=Cc2c3-c(c(c2)C)cc(C(C)C)ccc3C)OC1(OCC)C	PC-id_72669666	576.764	NANCJNFTHWFCRY-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-159594
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CCCCC2)ccc1)c1ccccc1)C(=O)OC	PC-id_18911846	576.769	APIIKZKPNFELHN-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-159595
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_18909176	576.769	ZCNQBBZBWNIGCT-FMQUCBEESA-N	00000000100000110100000000000010000000000000000000000000	31-01-159596
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=Cc2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73470694	576.769	ZCNQBBZBWNIGCT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159597
Cc1ccc(cc1)S(=O)(=O)OC(=CCc1ccc2-c1ccc(cc2)C(C)(C)C)c1ccc2-c1ccc(cc2)C(C)(C)C	PC-id_139714509	576.787	GJHMQSCIABJNOK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159598
CCN(C1=CC(=CCN1)OC1=CC=c2c(=CC1)n(C)c(c2)C(=O)Nc1cc(ncc1SC)C(C)(C)C)CCN(C)C	PC-id_143133959	576.796	ODLVJZVHDMCSFZ-UHFFFAOYSA-N	00000000100011101110000000000010000000000000000000000000	31-01-159599
CCCOCCCCC1CCN(CC1)c1c(cc(c(c1)C(C)(C)c1c(c2c([nH]1)CC=C(C=C2)C)C)C=O)OCCOC	SCHEMBL20366641,PC-id_135211305	576.809	BWSQHODUHATWNA-UHFFFAOYSA-N	00000000100010110110100000000010000000000000000000000000	31-01-159600
c1(c(CCCCCCCCCCCCCCC)cc2-c1cccc(c2)C(C)C)CCCCCCCCCCCCCC	PC-id_19815745	577.021	YTYHGNQAAANKTB-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-159601
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cc1C)C	PC-id_19634663	577.158	JZYNWGFAPQFHJA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159602
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)C)cc1C)C	PC-id_19641488	577.158	MPSLFQNHLSCADV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159603
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)C)cc1)C	PC-id_19641236	577.158	OIDGZFOALPVKAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159604
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)C)cc1)C	PC-id_20122389	577.158	PNHXGOWOSNHCCP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159605
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)C)cc1C)C	PC-id_19641528	577.158	KFRHHZPCFJQEFV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159606
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cc1C)C	PC-id_19634584	577.158	MVDJCXDEAHCEAU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159607
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)C)cc1C)C	PC-id_19641399	577.158	YMUYPSWNTSUXGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159608
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)C)cc1)C	PC-id_17307193	577.158	QYCCHAVYLYSPEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159609
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)C)cc1)C	PC-id_20122317	577.158	JSRJDYJMTHVHOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159610
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)cc1)C	PC-id_20123310	577.158	LQLJYIFNJWFXPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159611
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)cc1)C	PC-id_20123345	577.158	WBRSWCDWTHXDMY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159612
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cc1)C	PC-id_20123231	577.158	ADQWLGFYRITPDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159613
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)C)cc(cc1)C	PC-id_19635292	577.158	YQGPBBVIUYVMCL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159614
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)C)cc(cc1)C	PC-id_17305754	577.158	FDAUFSIRSOLPLJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159615
CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3c(s2)CCN(CC2CCOCC2)CC3)ncc1Cl	BindingDB_PC-id_118713257,PC-id_118713257,CHEMBL3330858	577.162	DWJNHINWVDZHBR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159616
C/C=C(C)/C=C(C)/C(C(C)C1C(C(C/C=CC=CC(CC(C(C2=NC(=CS2)/C=C(/C(=O)O1)C)CO)O)O)O)O)O	PC-id_146684988	577.271	ZDVFERBMHUKMTB-FUOUZSILSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159617
C/C=C(C)/C=C(C)/C(C(C)C(C(C1C/C=CC=CC(CC(C(C2=NC(=CS2)/C=C(/C(=O)O1)C)CO)O)O)O)O)O	PC-id_146684987	577.271	AXCDOYCLDNZAPV-FUOUZSILSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159618
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N[C@@H](C(=O)OC1C(C)C)CC3=CC=CC=C3)O)/C	PC-id_155208531	577.279	ZFUCOGMDXIBVRY-ASJYIPNZSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159619
C[C@@H]1/C=C/C(=O)NCC=CC(=C[C@H](CC(=O)CC2=NC(=CO2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)CC3=CC=CC=C3)O)C	PC-id_161355243	577.279	ZFUCOGMDXIBVRY-JPUSKHAFSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159620
Brc1c(O)c(C=c2sc(=C(c3n4CCCCCc4nn3)C#N)n(c2=O)CC=C)cc(Br)c1	EMOLS-id_44489989,PC-id_4113430,MCULE-9432964946	577.292	ISNCZHMCMSDQDU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159621
Brc1c(O)c(/C=c/2s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)CC=C)cc(Br)c1	PC-id_2314096,CoCoCo_3728126	577.292	ISNCZHMCMSDQDU-OQIWRFJHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159622
Brc1c(O)c(/C=c/s/c(=C(/c3n4CCCCCc4nn3)C#N)/n(c2=O)CC=C)cc(Br)c1	PC-id_2314097,CoCoCo_3728127	577.292	ISNCZHMCMSDQDU-TXNCNXKJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159623
C=CCn1c(=O)/c(=C/c2cc(Br)cc(Br)c2O)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	ZINC22_3178764,CoCoCo_3728125,PC-id_2314094	577.292	ISNCZHMCMSDQDU-SYGSZGCRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159624
C=CCn1c(=O)/c(=Cc2cc(Br)cc(c2O)Br)/s/c/1=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3728128	577.292	ISNCZHMCMSDQDU-QAIJUKEUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159625
Brc1ccc(cc1)c1csc(n1)Cc1c(C)c(c2-c1ccccc2)C(=O)c1ccc(cc1)Br	PC-id_139814861	577.33	GNXWETJMKNGTSN-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-159626
Clc1c(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)ccc(Cl)c1	PC-id_18909239	577.542	SIFOGCVBDPJIAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159627
Clc1c(C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)ccc(Cl)c1	PC-id_18909273	577.542	AQLHFHVDCKXSGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159628
Clc1c(C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)ccc(Cl)c1	PC-id_18909274	577.542	NAQXEPGOBZYMIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159629
COC(c1ccc(cc1)OCCN1CCOCC1)N1C=C(C(=O)C)c2c(C(C1)(C)C)c(c([nH]2)OC(=C)C(F)(F)F)C	PC-id_145409522	577.635	BLOPTHVKVMYIFS-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159630
CCC1=C(C(=O)NC(C)C)c2c(C(CN1C(=O)c1ccc(cc1)OCCN1CCOCC1)(C)C)[nH]nc2C(F)(F)F	SCHEMBL19659090	577.638	HRIGKZYVVDRASD-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159631
CCC1=C(C(=O)NC(C)C)c2[nH]nc(c2C(CN1C(=O)c1ccc(cc1)OCCN1CCOCC1)(C)C)C(F)(F)F	SCHEMBL19659375	577.638	HWQODBFBMMSQIG-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159632
O=C1N[C@@H](CCCCNC(=O)Cc2nnn(C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCCN=C(N)N)c2)C=O	PC-id_73213768	577.64	IZLTXAUEFKQSLH-XIRDDKMYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159633
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2ccc(OC)cc2)cc1)C)C(=O)OCC	PC-id_19658964	577.648	YMZDJPGXESNUSK-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-159634
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2ccc(OC)cc2)cc1)C)C(=O)OCC	PC-id_73633461	577.648	YMZDJPGXESNUSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159635
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2c(OC)cccc2)cc1)C)C(=O)OCC	PC-id_19660040	577.648	RHJPCRWJRHYRBJ-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-159636
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2c(OC)cccc2)cc1)C)C(=O)OCC	PC-id_73634505	577.648	RHJPCRWJRHYRBJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159637
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2ccccc2)cc1)C)C(=O)OCC	PC-id_19661813	577.648	WXJOCUKMSRPWJX-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-159638
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2ccccc2)cc1)C)C(=O)OCC	PC-id_73636239	577.648	WXJOCUKMSRPWJX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159639
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2ccc(cc2)C)cc1)C(=O)OCC	PC-id_19660551	577.648	IAGIONOFUXZBON-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159640
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2ccc(cc2)C)cc1)C(=O)OCC	PC-id_73635005	577.648	IAGIONOFUXZBON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159641
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2ccc(OC)cc2)cccc1)C)C(=O)OCC	PC-id_4411710	577.648	XPUAQVQQEIDWOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159642
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2ccc(OC)cc2)cccc1)C)C(=O)OCC	PC-id_9669380	577.648	XPUAQVQQEIDWOF-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-159643
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2cc(OC)ccc2)cccc1)C)C(=O)OCC	PC-id_4158996	577.648	OFUCTXRJNPEUNO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159644
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2cc(OC)ccc2)cccc1)C)C(=O)OCC	PC-id_9650259	577.648	OFUCTXRJNPEUNO-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-159645
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2c(OC)cccc2)cccc1)C)C(=O)OCC	PC-id_4248519	577.648	PHRNFNZBDVDSCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159646
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2c(OC)cccc2)cccc1)C)C(=O)OCC	PC-id_9654763	577.648	PHRNFNZBDVDSCS-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-159647
CC1/C=C/C(=O)NC/C=C/C(=C/C(CC(=O)Cc2nc(co2)C(=O)NC(C(=O)OC1C(C)C)Cc1ccccc1)O)/C	SCHEMBL20718264,PC-id_137477040	577.668	ZFUCOGMDXIBVRY-FFZWBXBISA-N	00000000100000110111000000000010000000000000000000000000	31-01-159648
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)Cc1ccccc1)O)/C	PC-id_137476797,SCHEMBL20717924	577.668	ZFUCOGMDXIBVRY-WKRYRRHQSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159649
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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O=C1N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)CCCc2nnn(C(=O)N[C@H]1CCCCN)c2)C=O	PC-id_73213993	577.68	ZBUWWIXYCLDFBD-UFYCRDLUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159651
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2c(cccc2)C)cc1)C)C(=O)OCC	PC-id_3340203	577.691	WSVXCVIVFZANSJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159652
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_4165421	577.691	GJNZKKHYPPNDRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159653
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_9650646	577.691	GJNZKKHYPPNDRN-FMFFXOCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159654
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2c(cccc2)C)cc1)C)C(=O)OCC	PC-id_9665047	577.691	WSVXCVIVFZANSJ-FMFFXOCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159655
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2nc(OC)nc(OC)c2)cc1)C(=O)OC	PC-id_20167246	577.696	CFBBDOLRWXFQCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159656
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1c2c(n(c1)Cc1ccc([N+](=O)[O-])cc1)cccc2)C)C(=O)OCC	PC-id_4411596	577.714	MRIAICACGFPQJF-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-159657
CCC(C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cn2cc1nn2)CCCCCC(=O)CC)Cc1c[nH]c2c1cccc2)C	SCHEMBL19479808	577.718	WBUPVLVFJDUDQS-XVJGRJRPSA-N	00000000100000100101000001100010000000000000000000000000	31-01-159658
CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)n2nnc(c2)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)C(CC)C	PC-id_101472035	577.718	ZJQCSPLCJRVKSH-APEJJRBQSA-N	00000000100000100101000001100010000000000000000000000000	31-01-159659
CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H](C)n2nnc(c2)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)CC(C)C	PC-id_101472036	577.718	LHFWRXFYNCEUQS-FLXBVFITSA-N	00000000100000100101000001100010000000000000000000000000	31-01-159660
CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H](C)n2nnc(c2)[C@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)CC(C)C	PC-id_101472037	577.718	LHFWRXFYNCEUQS-YJECHUCRSA-N	00000000100000100101000001100010000000000000000000000000	31-01-159661
CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H](C)n2nncc2[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)CC(C)C	PC-id_44178890,BindingDB_PC-id_44178890	577.718	NKJANSUNVHHIIX-FLXBVFITSA-N	00000000100000100101000001100010000000000000000000000000	31-01-159662
CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H](C)n2nnc(c2)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)[C@H](CC)C	PC-id_44178888,BindingDB_PC-id_44178888	577.718	ZJQCSPLCJRVKSH-YVNHAIRRSA-N	00000000100000100101000001100010000000000000000000000000	31-01-159663
O=C1NC(C(CC)C)c2n(nnc2)C(C(=O)NC(CCCCCC(=O)CC)C(=O)NC1Cc1c2c([nH]c1)cccc2)C	PC-id_74941430	577.718	FPNJKLTWSKKOAM-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-159664
O=C1NC(CC(C)C)c2n(nnc2)C(C(=O)NC(CCCCCC(=O)CC)C(=O)NC1Cc1c2c([nH]c1)cccc2)C	PC-id_74941464	577.718	NKJANSUNVHHIIX-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-159665
O=C1NC(C(CC)C)c2nnn(C(C(=O)NC(CCCCCC(=O)CC)C(=O)NC1Cc1c3c([nH]c1)cccc3)C)c2	PC-id_74941462	577.718	ZJQCSPLCJRVKSH-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-159666
O=C1N[C@H](CC(C)C)c2n(nnc2)[C@@H](C(=O)N[C@@H](CCCCCC(=O)CC)C(=O)N[C@H]1Cc1c2c([nH]c1)cccc2)C	PC-id_44178891	577.718	NKJANSUNVHHIIX-YJECHUCRSA-N	00000000100000100101000001100010000000000000000000000000	31-01-159667
O=C1N[C@H](CC(C)C)c2n(nnc2)[C@H](C(=O)N[C@@H](CCCCCC(=O)CC)C(=O)N[C@H]1Cc1c2c([nH]c1)cccc2)C	PC-id_44178976	577.718	NKJANSUNVHHIIX-MPPVSAIVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-159668
O=C1N[C@@H]([C@H](CC)C)c2n(nnc2)[C@@H](C(=O)N[C@@H](CCCCCC(=O)CC)C(=O)N[C@H]1Cc1c2c([nH]c1)cccc2)C	PC-id_44178797	577.718	FPNJKLTWSKKOAM-YVNHAIRRSA-N	00000000100000100101000001100010000000000000000000000000	31-01-159669
O=C1OC(C/C=C/C=C/C(O)CC(O)C(c2nc(cs2)/C=C
/C)CO)C(O)C(O)C(C)C(O)C(=CC(=CC)C)C	CNP0438451	577.729	AXCDOYCLDNZAPV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159670
O=C1OC(C(O)C(O)C/C=C/C=CC(O)CC(O)C(c2nc(cs2)/C=C
/C)CO)C(C)C(O)C(=CC(=CC)C)C	CNP0477374	577.729	ZDVFERBMHUKMTB-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159671
OCC1C(O)CC(O)/C=C/C=CCC(C(OC(=O)/C(=C/c2nc1sc2)/C)C(C(C(/C(=C/C(=C/C)/C)/C)O)C)O)O	SCHEMBL13343051	577.729	KSFFQTLGHZDOFY-FUOUZSILSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159672
s1c2nc(/C=C(/C(=O)OC(C(O)C(C(O)/C(=C/C(=C/C)/C)/C)C)C(O)CC=CC=CC(O)CC(O)C2CO)C)c1	PC-id_59317597	577.729	KSFFQTLGHZDOFY-IZNDVRMWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159673
s1c2nc(C=C(C(=O)OC(C(O)C(C(O)C(=CC(=CC)C)C)C)C(O)CC=CC=CC(O)CC(O)C2CO)C)c1	PC-id_72254747	577.729	KSFFQTLGHZDOFY-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159674
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOC)ccc(OC)c2)C(=O)OC	PC-id_3514714	577.736	PDHLUMCHLPBITP-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159675
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC)ccc(c2)C)C(=O)OCC	PC-id_5048617	577.736	WEOQZGMNHNZLNM-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159676
CNC(=O)Nc1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1ccs2)NC(=O)CC(NC[C@H](O)C)(C)C	SCHEMBL8909514,PC-id_22870075	577.737	XOHDUCUAWWLBGW-CJFMBICVSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159677
s1c2CCC(NC(=O)CC(NCC(O)C)(C)C)C(=O)N(c2cc1)Cc1ccc(cc1)c1c(NC(=O)NC)cccc1	PC-id_19067077	577.737	XOHDUCUAWWLBGW-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159678
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3c(C)n(Cc4ccc(F)cc4)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_408969442	577.754	NOKKRRNMZVZYFV-BBUXEPKYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-159679
O=C(N1C[C@@H](Cc2ccccc2)NC(=O)c2c1cn(n2)CCC1CCN(CC1)C(=O)OC(C)(C)C)CCC1CCCC1	PC-id_122219993	577.757	RSAPVALMTBBWPJ-HHHXNRCGSA-N	00000010100010110101000000000010000000000000000000000000	31-01-159680
CC(Cn1nc2c(c1)N(CC(C)C)C=C(N=C2SCC(=O)OC(C)(C)C)CCCCCNC(=O)OC(C)(C)C)C	PC-id_144019189	577.822	YPIPQPCVSCKKBV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159681
CC1(Cc2c(C(=O)N(C1)C)sc(c2C(=O)NCC(CO)O)Nc1c(cc(cc1)I)Cl)C	PC-id_91518216	577.863	UWGAZBMWKNKKCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159682
Ic1cc(Cl)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NCC[C@@H](O)CO)cc1	PC-id_57391521	577.863	SVEVUVOIIOZGQC-GFCCVEGCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159683
Ic1cc(Cl)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NCCC(O)CO)cc1	PC-id_76535181	577.863	SVEVUVOIIOZGQC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159684
CC(c1ccc(c2-c(c1)c(C)cc2[C@H]([C@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccccc1O)c1ccccc1O)C)C	PC-id_102352766	606.835	CADFFUKUEWHHBE-PIYFIQLCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160942
CC1=NC(C=CC=C1C(=O)N/C(=C/C=C(CCc1nc2c([nH]1)C=CCC=C2)/Cl)/C)NS(=O)(=O)C1=CC=CC=CC1	SCHEMBL20145804,PC-id_134504090	578.125	NLMISTYALPAGLG-JJTZBBGQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159685
Clc1ccc(NC(=O)C(=S)NC2C(NC(=O)c3sc4c(n3)CCN(CC4)C)CC(CC2)C(=O)N(C)C)nc1	PC-id_76615174	578.15	LQPULDWGVWLKQT-UHFFFAOYSA-N	00000000100010101101000000000010000000000000000000000000	31-01-159686
Clc1ccc(NC(=O)C(=S)N[C@@H]2[C@H](NC(=O)c3sc4c(n3)CCN(CC4)C)C[C@H](CC2)C(=O)N(C)C)nc1	PC-id_57804544,SCHEMBL13395412	578.15	LQPULDWGVWLKQT-QILLFSRXSA-N	00000000100010101101000000000010000000000000000000000000	31-01-159687
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)CC=C	PC-id_3411318	578.166	QCZPRBZEIATWEU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159688
Clc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_19678604	578.166	QSKMJFUMJZNOBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159689
CCCCn1c(nc2=CC=C(CC=c12)OCCN(C(C)C)C(C)C)/C(=C/C=C(/OCCc1ccc(cc1)Cl)C)/C=C	PC-id_142805625	578.228	QZJBQELUOKQPCB-DOEMEIOISA-N	00000000100000110111000000000010000000000000000000000000	31-01-159690
s1cc2OC(CCOc2c1)COC#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	PC-id_60083072	578.293	KDOAELDCCOVYGV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159691
s1cc2OCC(COc2c1)COC#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	PC-id_60083073	578.293	HMWYKLJSLSDTMT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159692
Brc1cc(CC2c3n(c(nc3CCN(C2=O)C)NC)COCc2ccccc2)cc(Br)c1O	PC-id_73294083	578.296	XWLSFXICMVDZHH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159693
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCc1ccccn1)Nc1c(cc(cc1)I)F)C	PC-id_91246769	578.441	CFYRJGDLYSWNMD-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-159694
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCc1cnccc1)Nc1c(cc(cc1)I)F)C	PC-id_91384073	578.441	FMBDSXXWWOJJBI-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-159695
CC(/C=CC=C/C(=C)C1C=C(NCCCN2Cc3c(S2(=O)=O)c(F)ccc3)Cn2c(N1)c(Br)cn2)O	PC-id_143089955	578.497	JUTKDNJJXCYNMX-VHOZIDCHSA-N	00000010100000100111000000001010000000000000000000000000	31-01-159696
Clc1c(OCCCc2n(CC)c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)ccc(Cl)c1	PC-id_20122997	578.577	SLZKFZUUAOGYCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159697
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC(=O)c2c([N+](=O)[O-])cccc2)ccc1)C(=O)OCC	PC-id_3396102	578.593	HJMWPLKWDQVDBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159698
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC(=O)c2c([N+](=O)[O-])cccc2)ccc1)C(=O)OCC	PC-id_9667196	578.593	HJMWPLKWDQVDBL-MUFRIFMGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159699
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccc([N+](=O)[O-])cc2)cccc1)C(=O)OCC	PC-id_19658297	578.593	XNXWKYISMUDAGS-MUFRIFMGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159700
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)cccc1)C(=O)OCC	PC-id_73632807	578.593	XNXWKYISMUDAGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159701
CC(c1ccc(c2-c(c1)c(C)cc2[C@@H]([C@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccccc1O)c1ccccc1O)C)C	PC-id_102352768	606.835	CADFFUKUEWHHBE-CXNSMIOJSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160943
COc1cc(Cc2cc3-c(c2)ccccc3)cc(c1)[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C	SCHEMBL14590120,PC-id_58786175	578.606	SDYXBNUHOONQDH-OXFURMMHSA-N	00000010100010110110100000000010000000000000000000000000	31-01-159702
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C)c1cc(cc(OC)c1)Cc1cc2-c(c1)ccccc2	PC-id_72423661	578.606	SDYXBNUHOONQDH-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-159703
Cn1cc(C(=O)OC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc12	CHEMBL577977,GD-id_ZINC49722657,PC-id_45486088,BindingDB_PC-id_45486088	578.618	RBGNXJHKDGUQME-XMMPIXPASA-N	00000000100000110101000001100010000000000000000000000000	31-01-159704
O(CC1NC(=O)c2nn(cc2N(C1)Cc1ccc([N+](=O)[O-])cc1)CCc1ccccc1)C(=O)c1c2c(n(c1)C)cccc2	PC-id_75116418	578.618	RBGNXJHKDGUQME-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-159705
CCC1=C(C(=O)OC(C)C)c2c(C(CN1C(=O)c1ccc(cc1)OCCN1CCOCC1)(C)C)[nH]nc2C(F)(F)F	SCHEMBL19659361	578.623	BUCHLCWHFPKTOF-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159706
CCC1=C(C(=O)OC(C)C)c2[nH]nc(c2C(CN1C(=O)c1ccc(cc1)OCCN1CCOCC1)(C)C)C(F)(F)F	SCHEMBL19659354	578.623	HDQPPADRSIFEKS-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159707
CCCC1=c2oc(nc2=CCC(=C1)C#N)/C(=C/C)/C=CC(=C)CC(=O)CN1CCN(CC1)c1nccc(n1)C(F)(F)F	PC-id_143486873	578.628	PKZRDZKKLWBHTH-JXLSWTQVSA-N	00000000100010100111100000000010000000000000000000000000	31-01-159708
S(=O)(=O)(NC(CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C#N)C(=O)OCC)c1ccc(cc1)C	PC-id_76501639	578.639	VPTCDCXHPWSHEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159709
S(=O)(=O)(N[C@H](CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C#N)C(=O)OCC)c1ccc(cc1)C	PC-id_57266666	578.639	VPTCDCXHPWSHEM-XMMPIXPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-159710
O1C(C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)n2nnnc12)COCc1ccccc1	PC-id_85192888	578.658	AEJYCKSTCBZPOW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159711
O1[C@@H]([C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)n2nnnc12)COCc1ccccc1	PC-id_10579102	578.658	AEJYCKSTCBZPOW-JDIHBLRXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159712
O1[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)n2nnnc12)COCc1ccccc1	PC-id_10745772	578.658	AEJYCKSTCBZPOW-NXVJRICRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159713
O1n2nnnc2[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1COCc1ccccc1	PC-id_10603292	578.658	FANYRRKQLQPFEM-JDIHBLRXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159714
O1n2nnnc2[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COCc1ccccc1	PC-id_10745773	578.658	FANYRRKQLQPFEM-NXVJRICRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159715
O1n2nnnc2C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1COCc1ccccc1	PC-id_85202077	578.658	FANYRRKQLQPFEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159716
COC1=C=Cc2c(C=C1NC(=O)c1cccc(n1)C1CC1)cn(n2)CC(=O)N1CCN(CC1)C(=O)CC1=CCC=CC=C1	SCHEMBL20056075	578.661	WYKABYNOWBPVKU-UHFFFAOYSA-N	00100000100010101111100000000010000000000000000000000000	31-01-159717
COc1c(cc2-c(n[n+](c2)CC(=O)N2CCN(CC2)C(=O)CC2=CCC=CC=C2)cc1)N=C(c1nc(ccc1)C1CC1)[O-]	PC-id_137308100	578.661	ZXRUWFSUILNJGZ-UHFFFAOYSA-N	00100010100010101111100000000010000000000000000000000000	31-01-159718
S(C(=O)CCCCCCC)CCC=CC1OC(=O)C(NC(=O)C(=CC)NC(=O)c2nc(sc2)CNC(=O)C1)C	PC-id_72665169	578.744	LSPFMDHTBGJAIU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159735
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1cc[nH]n1	PC-id_137336641,MCULE-8430358993,EMOLS-id_317517677,ZINC22_1772702276	578.663	QTYIGPFOTQGUSK-CTUHWIOQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159719
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccno1	PC-id_137344831,EMOLS-id_317491886,MCULE-8620258514	578.663	XFDORZQMJLZXNY-GJZUVCINSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159720
O(C1C(O)C(c2c(CC(=CCOCc3ccc(OC)cc3)C(OCc3ccc(OC)cc3)C1)coc2)CCC)C(=O)C	PC-id_74425899	578.692	WEXLVYWIZKCTDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159721
O([C@H]1[C@@H](O)[C@H](c2c(C/C(=C/COCc3ccc(OC)cc3)/[C@H](OCc3ccc(OC)cc3)C1)coc2)CCC)C(=O)C	PC-id_25170892	578.692	WEXLVYWIZKCTDX-SPQKORCDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159722
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C#Cc1ccc(cc1)C#Cc1cc(c2-c1cccc(c2)C(C)C)C(=O)OC	PC-id_101485100	578.696	HIOVWDWUFVKZFG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159723
CCN(CC)CCN1CCCc2c(C1=O)c(c([nH]2)C=C1c2c(ccc(c2)S(=O)(=O)Cc2ccc(cc2)F)NC1=O)C	SCHEMBL3140264,PC-id_87484755	578.697	PQDMWSKMHSGQFX-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-159724
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(cc2)S(=O)(=O)Cc1ccc(cc1)F)CC	SCHEMBL3140243,PC-id_25131281	578.697	PQDMWSKMHSGQFX-BWAHOGKJSA-N	00000010100000110100000000001010000000000000000000000000	31-01-159725
Fc1ccc(cc1)CS(=O)(=O)C1CC=C2C(=C1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCC1)/C(=O)N2	SCHEMBL13449389	578.697	UIOQGLBOMSCBAE-BWAHOGKJSA-N	00000010100011110100000000000110000000000000000000000000	31-01-159726
S(=O)(=O)(C1CC=C2NC(=O)C(=Cc3[nH]c4c(C(=O)N(CCN5CCCC5)CCC4)c3C)C2=C1)Cc1ccc(F)cc1	PC-id_70905788	578.697	UIOQGLBOMSCBAE-UHFFFAOYSA-N	00000010100011110100000000000110000000000000000000000000	31-01-159727
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/C(=O)O)ccc1)c1ccccc1)C(=O)OCC	PC-id_18898191	578.699	BOQAXJXZACGDHP-WUKNDPDISA-N	00000000100000110100000000000010000000000000000000000000	31-01-159728
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=CC(=O)O)ccc1)c1ccccc1)C(=O)OCC	PC-id_73470162	578.699	BOQAXJXZACGDHP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159729
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/C(=O)O)ccc1)c1ccccc1)C(=O)OC	PC-id_18898192	578.699	LNVSQEWDBIYENP-WUKNDPDISA-N	00000000100000110100000000000010000000000000000000000000	31-01-159730
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=CC(=O)O)ccc1)c1ccccc1)C(=O)OC	PC-id_73470163	578.699	LNVSQEWDBIYENP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159731
COCc1cc(ccc1c1ccccc1S(=O)(=O)NC1(C)ONC=C1C)Cn1c(CCC)nc2c1C(=O)CCCC2	PC-id_139917471	578.722	RMBYDQJFFBASQD-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-159732
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)C	PC-id_60152597,SCHEMBL14980350	578.744	LSPFMDHTBGJAIU-QBFGXIQKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159733
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@@H](C(=O)O1)C	PC-id_60152598,SCHEMBL14980345	578.744	LSPFMDHTBGJAIU-SXOGKVDOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159734
c1(NC(=O)c2cccc(c2)C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_6803902,MCULE-4435335233,PC-id_5069182,EMOLS-id_4196482,ZINC22_2750419,TIMTEC375800	578.745	PEVQMCMISNOWJL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159736
s1c2c(CCCCCC2)c(c1NC(=O)c1ccc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)cc1)C(=O)N	PC-id_4526876	578.745	XLKHTOKZKKYEHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159737
s1c2c(CCCCCC2)c(c1NC(=O)c1c(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)cccc1)C(=O)N	PC-id_4985553	578.745	UOEYWYMAIONBPO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159738
CCCCCCN1CCC(CC1)CC(=O)NCc1ccc(cc1F)C(=O)N1C/C(=CC(=C/C)C)/Nc2c(C1)cnn2C	PC-id_143188967	578.764	VLAZIKGBKZKROO-AOUNDXMBSA-N	00000000100010110101000000000010000000000000000000000000	31-01-159739
Cc1ccc(c(c1)C)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCN(c2c1ccs2)CCN1CCCC1	PC-id_9808337,SCHEMBL7929610	578.767	NABALZABOALDAR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-159740
CCCCN(C(=O)c1cccc(c1F)F)Cc1nc2=CCC(=CC=c2n1CC1CCCCC1CN1CCCCC1)CC	PC-id_142265456	578.779	YCIWJTXCWQYEME-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159741
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CC(C)(C)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911715	578.785	DYEANIDAOVSLKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159742
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCCC)ccc1)c1ccccc1)C(=O)OCC	PC-id_18909737	578.785	LLWDKYLIEMHATR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159743
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CC(C)(C)C)ccc1)c1ccccc1)C(=O)OC	PC-id_18911716	578.785	IJENPOVTBUIGDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159744
CCSc1ccc(cc1)CNC(=O)c1cc2c(s1)CCCN(CCN(C(C2)C)O)Cc1ccc(c(c1)OC)C#N	PC-id_142419363	578.788	OCRXBPITFJJCTR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159745
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)ccc1F	PC-id_21164883	579.106	DUCMSEMCYPFTDJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159746
Clc1cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)ccc1F	PC-id_21164808	579.106	ZRNYFVLZAYCUFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159747
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)ccc(F)c1	PC-id_17270465	579.106	RVXLPYUZUMKYSD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159748
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)C)ccc(F)c1	PC-id_19640911	579.106	YVWZHOJDHMWMNP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159749
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)ccc(F)c1	PC-id_19634056	579.106	RBKAMILIDRCGJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159750
CC(Nc1scc(n1)CCC(c1nc2c([nH]1)C=C(CC=C2)Cl)NC(=O)c1ccc(c(c1)C)C(=O)N1CCCC1)C	PC-id_142911642	579.156	NCLNOYHLTFHXIJ-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-159751
CCCN(CCC)C(=O)C1=CC2=C(C=C(S2)C(=O)CC3=CN=C(C=C3)N4CCC(CC4)C(=O)NCCN)N=C(C1)N	PC-id_160231296	579.299	VQYXQEOYHZFOTN-UHFFFAOYSA-N	00000000100010101110100000000010000000000000000000000000	31-01-159752
CC(c1ccc(c2-c(c1)c(C)cc2[C@H]([C@@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccccc1O)c1ccccc1O)C)C	PC-id_102352772	606.835	CADFFUKUEWHHBE-NDOUMJCMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160944
CCC1=C(C2=NNC(=C2C(CN1C(=O)C3=CC=C(C=C3)OCCN4CCOCC4)(C)C)C(F)(F)F)C(NC(C)C)O	PC-id_155203789	579.303	KTZPCIQQIZNRES-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159753
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCS(=O)(=O)C)Nc1c(cc(cc1)I)F)C	PC-id_91564084	579.447	LIDQKQFNGOSQAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159754
ISCCOC(=O)C1C(C=C)c2ccsc2CCN1S(=O)(=O)c1ccc(cc1)OC	PC-id_141940983	579.492	YQONXWFCUUCBJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159755
Brc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OC)C1CC1	PC-id_20176837	579.497	IEEINBIADTVOCS-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-159756
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)cc1	PC-id_21166635	579.53	XAURDIQUFSFRAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159757
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC)cc1	PC-id_17304823	579.53	CJNPDQJMELAVEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159758
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)C)cc1	PC-id_19637849	579.53	ZOIFHHDFHYCFJG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159759
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cc1	PC-id_21166565	579.53	JCVMQSQXDNZMRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159760
C#CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1OC	ZINC22_408974434	579.548	ZDFZWSKAJXHISF-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-159761
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1c(F)cc(cn1)F	MCULE-7106621733,EMOLS-id_317496996,PC-id_137340922,ZINC22_1772713626	579.553	PRZGPZZMKGFDLO-ATNYCFDYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-159762
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)NOCCCN1C(=O)c2c(C1=O)cccc2	SCHEMBL7311215	579.555	SDCVXNVABCTOQC-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-159763
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)N(OCCN1C(=O)c2c(C1=O)cccc2)C	PC-id_88125390,SCHEMBL7304140	579.555	QSHSZLKUXOCCKH-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-159764
COCCN(C(=O)CON(C(=O)Cc1ccc2-c(cc1)c(c(c2OC(=O)OCC)N)OC(=O)OCC)C)CCOC	SCHEMBL7304541	579.596	CTFPRMSOSMFAOJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-159765
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCc2nnn(CC(=O)NC1CC(C)C)c2	PC-id_74392721	579.609	XDSMRNJROGCKMK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159766
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCc2nnn(CC(=O)NC1C(CC)C)c2	PC-id_74392722	579.609	FHDLLHTUSOASQU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159767
O=C1N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)NCc2nnn(CC(=O)N[C@H]1CC(C)C)c2	PC-id_25136796	579.609	XDSMRNJROGCKMK-OWCLPIDISA-N	00000000100000000101000000000010000000000000000000000000	31-01-159768
O=C1N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)NCc2nnn(CC(=O)N[C@H]1[C@H](CC)C)c2	PC-id_25136797	579.609	FHDLLHTUSOASQU-JQZVDIJISA-N	00000000100000000101000000000010000000000000000000000000	31-01-159769
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)c1oc(nn1)c1cc(OC)c(OC)c(OC)c1)C(=O)OCC	PC-id_3655060	579.642	BYHRJKWDDHRQJT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-159770
O=C1N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)OCCc2nnn(C(=O)N[C@H]1CCCCN)c2)C=O	PC-id_73213919	579.652	PNBKDGZARANOHB-FHWLQOOXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159771
COc1ccc2c(cc1=NC(=O)c1nc(ccc1)C1CC1)c[n+]([nH]2)CC(=O)N1CCN(CC1)C(=O)CC1=CCC=CC=C1	PC-id_137308101	579.669	ZXRUWFSUILNJGZ-UHFFFAOYSA-O	00100000100010101111100000000010000000000000000000000000	31-01-159772
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OC)ccc(F)c2)C(=O)OC	PC-id_4183289	579.684	OWYCFEDSSOYGFV-FVDSYPCUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159773
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC=C)ccc(F)c2)C(=O)OC	PC-id_5199865	579.684	WUEAOBWXSGBOQV-AZPGRJICSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159774
CCOC(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccn2C	PC-id_139750508	579.685	QWUZLBJAZNQXMD-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159775
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC)ccc(OC)c2)C(=O)OC	PC-id_3279060	579.709	OZZVRGCODJJTBG-IMVLJIQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-159776
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1C)ccc(OC)c2)C(=O)OCC	PC-id_4091497	579.709	NHEANJBDCWKHDY-IMVLJIQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-159777
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1C)ccc(OCC)c2)C(=O)OC	PC-id_4124856	579.709	IXQSUZZROQYZAD-IMVLJIQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-159778
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CCOC)cccc2)C(=O)OC	PC-id_5053198	579.709	XDYJIKUCEXWAAD-IMVLJIQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-159779
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOCC)ccc(F)c2)C(=O)OC	PC-id_4607911	579.727	DAONWXMAZXYZEO-WCTVFOPTSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159780
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOC)ccc(F)c2)C(=O)OCC	PC-id_4582571	579.727	XBKNSULUGWCWKV-WCTVFOPTSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159781
c1(NC(=O)c2ccc(nc2)C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)sc2c(CCCCCC2)c1C(=O)N	SPECS-id_AK-968/12573127,PC-id_5108785,EMOLS-id_4994208,TIMTEC87767,ZINC22_2745717,MCULE-3169654005,CoCoCo_6920614	579.733	BVLAJROYHRMUEJ-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-159782
s1c2c(CCCCC2)c(c1NC(=O)c1nc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)NC)ccc1)C(=O)NC	PC-id_43947643	579.733	RRNWTYMYXHVIDC-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-159783
s1c2c(CCCCCC2)c(c1NC(=O)c1nc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)ccc1)C(=O)N	PC-id_3256051	579.733	GIECBGUJDCWTRM-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-159784
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)C1CCCC1	MCULE-3004073583,PC-id_137338746,EMOLS-id_317486504,ZINC22_1772713180	579.734	BUZHDZXORHWSGW-NAKRPHOHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-159785
CCOCC(c1[nH]c2c(c1CCc1ncc([nH]1)/C(=N/C=C/F)/C=CCC)CC=CC=C2)(C(O/C(=NN)/C(C)(C)C)C)N	PC-id_144222854	579.752	WWYWUWNZHDBPOK-ZMDVNQKKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159786
CN1CCN(CCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4c4ccccc4)cc3)c3ccsc23)CC1	CHEMBL177285,PC-id_10840974,BindingDB_PC-id_10840974	579.755	IAGMQISKNISZPR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-159787
CCN1CCc2c(C1)sc(c2CNC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)C(C(=C)C)(F)F	PC-id_138565088,SCHEMBL20922680	579.765	REIQWRRPNIRLTN-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-159788
Cc1ccc(c(c1)C)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCN(c2c1ccs2)CC[NH+]1CCCC1	GLL_PC-id_9808337	579.775	NABALZABOALDAR-UHFFFAOYSA-O	00000010100000110101100000000010000000000000000000000000	31-01-159789
Ic1cc(Cl)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NOC[C@H](O)CO)cc1	PC-id_57400196	579.836	NUTGQSGXRGUYMD-LLVKDONJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159790
Ic1cc(Cl)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NOCC(O)CO)cc1	PC-id_76522966	579.836	NUTGQSGXRGUYMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159791
CC(CN1CC(CCCCNC(=O)OC(C)(C)C)N=C(c2c1cn(n2)CC(C)C)SC[C@@H](C(C)(C)C)C(=O)O)C	PC-id_68654004,SCHEMBL3467294	579.838	NJGWONJHAUBVFJ-OZAIVSQSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159792
CC(Cn1nc2c(c1)N(CC(C)C)C[C@@H](N=C2SCCC(=O)OC(C)(C)C)CCCCNC(=O)OC(C)(C)C)C	PC-id_46840589,SCHEMBL3467296	579.838	SJIRMRHGOAVBJN-QHCPKHFHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159793
S(C1=NC(CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCNC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C	PC-id_75217744	579.838	SJIRMRHGOAVBJN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159794
S(CC(C(C)(C)C)C(=O)O)C1=NC(CN(CC(C)C)c2c1nn(c2)CC(C)C)CCCCNC(=O)OC(C)(C)C	PC-id_77534087	579.838	NJGWONJHAUBVFJ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-159795
COCc1cc(Oc2cc(NCc3[nH]c4c(n3)C=CC=CC4)nc(n2)N2CCCN(CC2)C(=O)C)c(cc1OC)Cl	PC-id_143734562	580.078	GTLVHPCTBMEYDM-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-159796
c1(NC(=O)CSc2nnc(CNC(=O)c3c(cccc3Cl)F)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4290609,MCULE-5203356554,EMOLS-id_22699914,CoCoCo_2661184	580.094	BCOLZPBJNLEFSA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159797
Clc1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_20167438	580.142	XOOMETMUDZWFGI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159798
O=C(N1CCCn2c(C1)cc(n2)S(=O)(=O)N1C2CCCC1CC2)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700491	580.543	KHXMQAXXFGYNHC-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-159799
c1(C(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)c(Cl)c2c(cc(cc2)Cl)s1	PC-id_17378489,ZINC22_97948548,EMOLS-id_4196714,CoCoCo_6827374,TIMTEC555551,MCULE-6473675299	580.546	XRODSAKQXMTHGE-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-159800
O=C1NCC(=O)NC(CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)NC(C(=O)NC1CCCN=C(N)N)C)c2	PC-id_74957690	580.554	OWMYIKIESLNVPW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159801
O=C1NCC(=O)NC(CC(=O)O)C(=O)NCc2nnn(c2)CC(=O)NCC(=O)NCC(=O)NC1CCCN=C(N)N	PC-id_74392731	580.554	YDIPQMMMJAUTDF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159802
O=C1NCC(=O)NC(CC(=O)O)C(=O)NCc2nnn(CC(=O)NC(C(=O)NC1CCCN=C(N)N)CC(=O)N)c2	PC-id_74392725	580.554	OXGVSMPOHIAZOL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159803
O=C1NCC(=O)N[C@@H](CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)N[C@H](C(=O)N[C@H]1CCCN=C(N)N)C)c2	PC-id_44227692	580.554	OWMYIKIESLNVPW-SRVKXCTJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159804
O=C1NCC(=O)N[C@H](CC(=O)O)C(=O)NCc2nnn(c2)CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCCN=C(N)N	PC-id_25136806	580.554	YDIPQMMMJAUTDF-CHWSQXEVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159805
O=C1NCC(=O)N[C@H](CC(=O)O)C(=O)NCc2nnn(CC(=O)N[C@H](C(=O)N[C@@H]1CCCN=C(N)N)CC(=O)N)c2	PC-id_25136800	580.554	OXGVSMPOHIAZOL-FRRDWIJNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159806
CCCCCCCCCC(=O)OC(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)Br	PC-id_102055020	580.595	HWSQWDVXGJYBQR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159807
CCOC(=O)C1=CN(CC(c2c1n(Cc1ccc(cc1)OC)c([n+]2CC(=O)C(F)(F)F)C)(C)C)C(=O)OC(C)(C)C	SCHEMBL19659106	580.616	QKRQLHCVHLYODP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-159808
CCCCC1=C(CCNC1)/C(=C(/Br)C)/CNC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2	PC-id_138565082,SCHEMBL20922674	580.62	UCTQQUANRNQDEA-RELWKKBWSA-N	00000000100011000100000000000010000000000000000000000000	31-01-159809
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1ccc(c(c1)OC)OC	PC-id_141350342	580.624	LDMZDMHKPIYYRS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159810
CCOC(=O)c1c(O)c(c2-c1ccccc2)C(c1c(O)c(c2-c1ccccc2)C(=O)OCC)c1ccc(cc1OC)OC	PC-id_141350349	580.624	FWOTZUYVPBODLT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159811
CN1CCN(CC1)C(=O)Cn1cc2CC=C(C(=CCc2n1)OC(F)(F)F)NC(=O)c1csc(n1)NC1CN(C1)C	SCHEMBL20055976,PC-id_134422794	580.626	KCHUMGSHTCIARR-UHFFFAOYSA-N	00001000100010000111000000000010000000000000000000000000	31-01-159812
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)CC=C)C(=O)OC	PC-id_21164468	580.642	TUCMYMRVQLFJLQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159813
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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CC(C)[C@@H]1NC(=O)c2ccc(s2)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N(C)C1=O	BindingDB_PC-id_44306731,CHEMBL66922,PC-id_44306731	580.657	RQNVVDHZBQHVQM-DOXZYTNZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159815
s1c2C(=O)NC(C(C)C)C(=O)N(C(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCc1cc2)C	PC-id_74989208	580.657	RQNVVDHZBQHVQM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159816
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)NC2=CCC(C=C12)S(=O)(=O)Cc1ccc(cc1)F)CC	SCHEMBL13449498	580.713	JYICFAWLNYTRPQ-BWAHOGKJSA-N	00000010100011110100000000000110000000000000000000000000	31-01-159817
S(=O)(=O)(C1CC=C2NC(=O)C(=Cc3[nH]c4CCCN(C(=O)c4c3C)CCN(CC)CC)C2=C1)Cc1ccc(F)cc1	PC-id_70905847	580.713	JYICFAWLNYTRPQ-UHFFFAOYSA-N	00000010100011110100000000000110000000000000000000000000	31-01-159818
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1)C(=O)OC	PC-id_3374203	580.715	DANVUVYIQKXFDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159819
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)CC)C(=O)OC	PC-id_18910759	581.703	MKGUDYDUEQJTQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159886
s1c2c(CCCCC2)c(c1NC(=O)c1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1)C(=O)OC	PC-id_5053784	580.715	VCHCVUGPZRHTRW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159820
s1c2c(CCCCC2)c(c1NC(=O)c1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cccc1)C(=O)OC	PC-id_4446603	580.715	SZBQTPGPUMOPRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159821
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)CC)C(=O)OCC	PC-id_18897630	580.715	ANIOLCSCHZEASD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159822
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC(=O)O)ccc1)c1ccccc1)C(=O)OCC	PC-id_18898323	580.715	FJMRKUNBCDSLLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159823
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)CC)C(=O)OC	PC-id_18897631	580.715	CXBMKBQSCRJXIW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159824
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)C)C(=O)OCC	PC-id_18897566	580.715	QOGFIRYBMGLSCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159825
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC(=O)O)ccc1)c1ccccc1)C(=O)OC	PC-id_18898324	580.715	RAJSVJVBLKEXFO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159826
COc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCN(c2c1ccs2)CCN1CCCC1	PC-id_139709991	580.74	QJTARNOUTXVSCR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-159827
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(OC)cc2)ccc1)CC)C(=O)OCC	PC-id_18909968	580.758	JAKWHNCPNUDUIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159828
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)ccc2)ccc1)CC)C(=O)OCC	PC-id_18909836	580.758	JHQWMISKVLUVRP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159829
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)COc2ccccc2)ccc1)CC)C(=O)OCC	PC-id_18910892	580.758	XYQUSCKYYNWWRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159830
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NCC(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL14980342,PC-id_60150950	580.76	YMJXHILVRQPUBG-SLQHSKKLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159831
CCOCC(c1[nH]c2c(c1CCc1[nH+]cc([nH]1)/C(=N/C=C/F)/C=CCC)CC=CC=C2)(C(O/C(=NN)/C(C)(C)C)C)N	PC-id_144222853	580.76	WWYWUWNZHDBPOK-ZMDVNQKKSA-O	00000000100000000111000000000010000000000000000000000000	31-01-159832
S(C(=O)CCCCCCC)CCC=CC1OC(=O)C(NC(=O)CNC(=O)c2nc(sc2)CNC(=O)C1)C(C)C	PC-id_72664608	580.76	YMJXHILVRQPUBG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159833
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC=C)C(=O)OCC	PC-id_19642389	580.761	PQKQSOBMCXGXMR-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-159834
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1ccc(OC2CCCC2)cc1)CC=C)C(=O)OC	PC-id_19642320	580.761	UOAFNWUSWJQXFN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-159835
C[NH+]1CCN(CC1)CCN1CCCN(c2c1scc2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	GD-id_ZINC22449354	580.763	IAGMQISKNISZPR-UHFFFAOYSA-O	00000000100010110101100000000010000000000000000000000000	31-01-159836
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)ccc1OCc1cccc(C)c1	ZINC22_409012037	580.779	HEJFVNKHQPFOLQ-SEBMTOOBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159837
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)ccc1OCc1cccc(C)c1	ZINC22_409014181	580.779	MKRNEXFSUAODRS-SEBMTOOBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159838
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)ccc1OCc1cccc(C)c1	ZINC22_409015932	580.779	PSCCGNZNNGMJCY-SEBMTOOBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159839
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)ccc1OCc1cccc(C)c1	ZINC22_409019167	580.779	VXYGNXXOBZSMLC-SEBMTOOBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159840
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCCCC)CCCCCC	SCHEMBL9335206,PC-id_19102907	580.799	IKYJBAOMKJXZCJ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-159841
CCCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCCC)CCCCC	PC-id_19102843,SCHEMBL9339019	580.799	AQWPIMLKSWOXJD-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-159842
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)C)ccc(F)c1	PC-id_19640869	581.122	CRJSYJDLRIHXOY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159843
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)C)ccc(F)c1	PC-id_19640793	581.122	SNCFSQSQMJURKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159844
Clc1ccc(OCC(=O)Nc2sc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)cc1	PC-id_23959503	581.127	LTKUPGOHNMXFOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159845
CC(C)C1C(=O)O[C@@H](CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N1)(C)C)/C=C/CCSC(=O)C(C(C)C)N	PC-id_155171689	581.234	YBLKKAYDPCHCJG-JGNFHUEFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159846
CC(C)C1C(=O)O[C@@H](CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N1)(C)C)/C=C/CCSC(=O)[C@H](C(C)C)N	PC-id_154946434	581.234	YBLKKAYDPCHCJG-DZSRBSKNSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159847
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)OCCC	PC-id_4162513	581.416	UWPFNACFKPUSHH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-159848
s1c2c(CCCCCC2)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_4250088	581.416	NPENZHLEQMNCGT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-159849
Brc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C	PC-id_20176673	581.513	WWSAAWRESLQEEF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159850
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)ccc(Cl)c1	PC-id_17305274	581.534	UNTQYQNHLDVGEU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159851
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cc(Cl)cc1	PC-id_21167096	581.534	GJEOUXOAPSAKRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159852
O=C1NCC(=O)NC(CC(=O)O)C(=O)NCc2nnn(CC(=O)NC(C(=O)NC1CCCN=C(N)N)CC(=O)O)c2	PC-id_74392724	581.539	CFZCVZSDZBJYST-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159853
O=C1NCC(=O)N[C@H](CC(=O)O)C(=O)NCc2nnn(CC(=O)N[C@H](C(=O)N[C@@H]1CCCN=C(N)N)CC(=O)O)c2	PC-id_25136799	581.539	CFZCVZSDZBJYST-UPJWGTAASA-N	00000000100000000101000000000010000000000000000000000000	31-01-159854
c1(NC(=O)c2ccc(c(COc3ccc(cc3)Br)c2)OC)sc2c(CCCCCCCCCC2)c1C#N	MCULE-8110926605,TIMTEC310185,EMOLS-id_5121660,ZINC22_2731793,CoCoCo_6577245,PC-id_5043453,SPECS-id_AK-968/41923702	581.564	MJTJWYXHHGKLCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159855
c1(NC(=O)c2ccc(c(COc3ccccc3Br)c2)OC)sc2c(CCCCCCCCCC2)c1C#N	TIMTEC353270,EMOLS-id_8853055,MCULE-9659515513,PC-id_17021011,CoCoCo_6581040,ZINC22_2784396	581.564	OFSSVXUFPNFUJZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159856
C=CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1OC	ZINC22_408972819	581.564	VWLKZDVPPOLEBU-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-159857
O=C=C1N(C=CN(C(=O)C1(OC)Cc1n[nH]c2c1C=CCC=C2)CC(=O)N(c1ccc(cc1)F)C(C)C)c1ccccc1	PC-id_143150322	581.637	XJJTVCHLCPDCPP-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-159858
CC(C)[C@@H]1C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C(=O)Nc2nc(cs2)CC(=O)N1)CC(=O)O)CCCN=C(N)N)C	PC-id_135431017	581.645	ATUSLVQGSHPDDX-SUNYJGFJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159859
CC(OC(=O)C1=CN(CC(c2c1snc2C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCCN1CCOCC1)C	SCHEMBL19659627	581.647	PRSOEWLGQFCLEN-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-159860
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC)c(OCc2ccc(F)cc2)cc1)C(=O)OCC	PC-id_3430906	581.655	GHXGXVQWUCIFOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159861
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC)c(OCc2ccc(F)cc2)cc1)C(=O)OCC	PC-id_9620451	581.655	GHXGXVQWUCIFOA-VTNSRFBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159862
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OCC)c(OCc2c(F)cccc2)cc1)C(=O)OCC	PC-id_19661113	581.655	AVSQUOSZNVPENB-VTNSRFBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159863
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OCC)c(OCc2c(F)cccc2)cc1)C(=O)OCC	PC-id_73635555	581.655	AVSQUOSZNVPENB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159864
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2ccc(F)cc2)cc1)C)C(=O)OCC	PC-id_3493512	581.655	COVHJHLPWYKDLR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159865
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2ccc(F)cc2)cc1)C)C(=O)OCC	PC-id_9623073	581.655	COVHJHLPWYKDLR-DPNNOFEESA-N	00000000100000110100000000000010000000000000000000000000	31-01-159866
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OCc2c(F)cccc2)cc1)C)C(=O)OCC	PC-id_4256757	581.655	OOVHDIXUFKUZKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159867
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OCc2c(F)cccc2)cc1)C)C(=O)OCC	PC-id_9655136	581.655	OOVHDIXUFKUZKT-DPNNOFEESA-N	00000000100000110100000000000010000000000000000000000000	31-01-159868
Cc1ccccc1n1c(=O)/c(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)/s/c/1=C(/C#N)c1nnc2n1CCCCC2	ZINC22_105754678,CoCoCo_3611935	581.688	NHFVVERUIVDSDJ-WIJAZAIGSA-N	00000000100010110101100000000010000000000000000000000000	31-01-159869
Oc1ccc(cc1)C(C(c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_101760687	606.835	ZWRCTKBTMJYIPH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160945
Cc1cccc(n2c(=O)/c(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)/s/c/2=C(/C#N)c2nnc3n2CCCCC3)c1	ZINC22_105752199,CoCoCo_3609578,PC-id_98688762	581.688	AIYMXNGJDSXNGY-UACPWVLQSA-N	00000000100010110101100000000010000000000000000000000000	31-01-159870
N#C/C(=c
/s/c(=C/c2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)/c(=O)n1c1cccc(c1)C)/c1nnc2n1CCCCC2	CoCoCo_3609576	581.688	AIYMXNGJDSXNGY-KOQHFQRQSA-N	00000000100010110101100000000010000000000000000000000000	31-01-159871
N#C/C(=c/1s/c(=Cc2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)/c(=O)n1c1cccc(c1)C)/c1nnc2n1CCCCC2	CoCoCo_3609577,CoCoCo_3609579	581.688	AIYMXNGJDSXNGY-OJCZCXDSSA-N	00000000100010110101100000000010000000000000000000000000	31-01-159872
N#C/C(=c
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N#C/C(=c/1s/c(=C/c2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)/c(=O)n1c1ccccc1C)/c1nnc2n1CCCCC2	CoCoCo_3611934	581.688	NHFVVERUIVDSDJ-JDKAFIOGSA-N	00000000100010110101100000000010000000000000000000000000	31-01-159874
N#C/C(=c/1s/c(=Cc2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)/c(=O)n1c1ccccc1C)/c1nnc2n1CCCCC2	CoCoCo_3611936,PC-id_49651758	581.688	NHFVVERUIVDSDJ-JWLYKVAYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-159875
N#CC(=c1sc(=Cc2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)c(=O)n1c1cccc(c1)C)c1nnc2n1CCCCC2	EMOLS-id_300277842,MCULE-1577789553,PC-id_72077619	581.688	AIYMXNGJDSXNGY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-159876
N#CC(=c1sc(=Cc2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)c(=O)n1c1ccccc1C)c1nnc2n1CCCCC2	EMOLS-id_300451746,MCULE-9306399230,PC-id_72077540	581.688	NHFVVERUIVDSDJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-159877
O=C(Nc1csc(n1)c1ccncc1)Nc1cccc(n1)OCC1CCN(C1)C(=O)Cc1c(C)[nH]c2c1C=CCC=C2	PC-id_142276168	581.688	OSJZFIIGFAYUIH-UHFFFAOYSA-N	00000010100000101111100000000010000000000000000000000000	31-01-159878
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)c1=Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1)c1c(cccc1)C	PC-id_16274335	581.688	NHFVVERUIVDSDJ-DDOUNIGXSA-N	00000000100010110101100000000010000000000000000000000000	31-01-159879
s1/c(=C(c2n3CCCCCc3nn2)/C#N)/n(c(=O)c1=Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1)c1cc(ccc1)C	PC-id_16283988	581.688	AIYMXNGJDSXNGY-ZQKXYZGISA-N	00000000100010110101100000000010000000000000000000000000	31-01-159880
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)c1ccc(nc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C(=O)OC	PC-id_3364389	581.703	XEYAJWFMXWCFRF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-159882
s1c2c(CCCCC2)c(c1NC(=O)c1nc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)ccc1)C(=O)OC	PC-id_4639032	581.703	DXMDETCPWULCFA-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-159883
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)CC)C(=O)OCC	PC-id_18910758	581.703	ABELWHLEEKDGPC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159884
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)CC)C(=O)OCC	PC-id_18910626	581.703	RDXCNZJWSKBCIE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159885
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)C)C(=O)OCC	PC-id_18910694	581.703	SPUBDOSKWWKBBF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159887
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)CC)C(=O)OC	PC-id_18910627	581.703	RWTZNXPQNODMLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159888
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)C)C(=O)OCC	PC-id_18910562	581.703	HXGTWFRHJZTTDM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159889
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)[C@@H]1CCCO1	MCULE-3878297397,PC-id_137335739,EMOLS-id_317482865,ZINC22_1772703518	581.706	NXUGBGZAKQWMDL-DXBVXKBHSA-N	00000010100000110101000000000010000000000000000000000000	31-01-159890
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)[C@H]1CCCO1	PC-id_137344209,MCULE-5393982688,ZINC22_1772714375,EMOLS-id_317516961	581.706	NXUGBGZAKQWMDL-OASJLCFRSA-N	00000010100000110101000000000010000000000000000000000000	31-01-159891
Cc1ccc(cc1)S(=O)(=O)N1CC(CN(Cc2c(C1)nnn2Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C)O	PC-id_135036194	581.706	AXYCKLGTKWYPCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159892
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCC(=O)Nc1ccccc1	ZINC22_408969633	581.724	REAFTQCQSFQQST-FADJLKOXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159893
O=C(c1ccccc1c1ccccc1)Nc1ccc(cc1OCCN1CCOCC1)C(=O)N1CCCCc2c1ccs2	PC-id_139750520	581.724	NOPWPTLQWNTTCN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-159894
NC(=NCCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2)N	PC-id_139750484	581.728	XPICJAWPLUCEOT-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159895
O=C1NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O[C@@H](C1)/C=C/CCSC(=O)C(C(C)C)N)C(C)C)(C)C	SCHEMBL19617471	581.748	YBLKKAYDPCHCJG-GWQTUZSLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159896
O=C1NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O[C@@H](C1)/C=C/CCSC(=O)[C@H](C(C)C)N)C(C)C)(C)C	PC-id_118551244,SCHEMBL17305541	581.748	YBLKKAYDPCHCJG-IQGTVIFDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159897
O=C1NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O[C@@H](C1)/C=C/CCSC(=O)[C@@H](C(C)C)N)C(C)C)(C)C	SCHEMBL19617472	581.748	YBLKKAYDPCHCJG-GAJQHJFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159898
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CCC(C)C)CCCNC(=O)Cn1nc(C)n2	ZINC22_1772702514,EMOLS-id_317462149,MCULE-9254842699,PC-id_137336538	581.749	CJASBMZFVWDBKN-IRPSRAIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-159899
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1sc(c(c1C(=O)OCC)C)C(=O)OCC)C)C(=O)OCC	PC-id_24135734	581.764	PWLJJZYXFJZCSG-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-159900
c1(NC(=O)CSc2c3ccccc3n(CCNC(=O)c3cccs3)c2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2000049,MCULE-3612114478,PC-id_4275871,EMOLS-id_22702574	581.769	BWAOGUSPLQWBPD-UHFFFAOYSA-N	00000000100100100100000001100010000000000000000000000000	31-01-159901
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)C)C(=O)OC	PC-id_19317865	581.769	KLCCXQRSOUEUCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159902
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)C(=O)OCC	PC-id_19317899	581.769	BDFLNKRRWFIVHM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159903
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)C(=O)OC	PC-id_19317900	581.769	ORIZLVBEGUIFPG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159904
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)CC)C(=O)OCC	PC-id_19317607	581.812	RWCFCJLXFCMYFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159905
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19317477	581.812	HHRUBUUTXAPVLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159906
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)CC)C(=O)OC	PC-id_19317608	581.812	XIYNXZYRRNKIJR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159907
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)C)C(=O)OCC	PC-id_19317543	581.812	JRZCOHPPEHFKAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159908
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn(Cc2ccc(Cl)cc2)c1	PC-id_19676897	581.976	MOYFMARYLMYHQY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159909
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn(Cc2c(Cl)cccc2)c1	PC-id_20171527	581.976	LWFBOGOYMOEIRM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159910
Cc1c(cc(cc1)N1CCN(CC1)C(=O)Nc1cc(c(cc1)Cl)C(F)(F)F)N=C(C)c1c2-c(ccccc2)[nH]c1=O	PC-id_136478270	582.016	RCMGDURHZQFXOU-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-159911
O=C(N1CCN(CC1)c1ccc(c(c1)/N=C(/c1c(=O)[nH]c2-c1ccccc2)C)C)Nc1ccc(c(c1)C(F)(F)F)Cl	SCHEMBL13076645	582.016	RCMGDURHZQFXOU-XZYGTATASA-N	00000010100010110111100000000010000000000000000000000000	31-01-159912
Clc1ccc(C(=O)Oc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)cc2)cc1	PC-id_4069171	582.067	TVCXBXGQNIBZOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159913
Clc1ccc(C(=O)Oc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/C)cc2)cc1	PC-id_9645167	582.067	TVCXBXGQNIBZOC-VTNSRFBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159914
Clc1cc(C(=O)Oc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)cc2)ccc1	PC-id_3318919	582.067	BRJSVUWTNJPVNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159915
Clc1cc(C(=O)Oc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/C)cc2)ccc1	PC-id_9664179	582.067	BRJSVUWTNJPVNT-VTNSRFBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159916
CCC(c1cc(c(cc1)C(=O)OC(C)(C)C)N)NC(=O)N1Cc2nccn2CC(C1=O)Cc1c(ccc(c1)Cl)OC	PC-id_86672196	582.09	YUCCBSMMOCBHOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159917
CC[C@H](c1ccc(c(c1)N)C(=O)OC(C)(C)C)NC(=O)N1Cc2nccn2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC	SCHEMBL12980550	582.09	YUCCBSMMOCBHOS-GBXCKJPGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159918
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)n(c2cc1)CCOC	PC-id_3442341	582.155	MOSMQTBKGBKWLH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159919
CC(C)C1C(=O)OC(CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N1)(C)C)C=CCCSC(=O)C(C(C)C)[NH3+]	PC-id_164116357	582.241	YBLKKAYDPCHCJG-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-159920
C1C(COc2cscc2O1)COC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	SCHEMBL5731600,PC-id_87885353	582.281	DFVYGQVIXVBTSB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159921
C1COc2cscc2OC1COC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	PC-id_87885191,SCHEMBL5730044	582.281	IBBVDLLPUHSKRN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159922
s1cc2OCC(COc2c1)COOC(=C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	PC-id_21022202	582.281	HCIFNICWNPWZMZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159923
s1cc2OC(CCOc2c1)COOC(=C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	PC-id_21022206	582.281	HMDVWRJTFONZRB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159924
CCCCCCCC(=O)SCCCC(C)[C@@H]1CC(=O)NCc2nc(co2)C(=O)NC(C(=O)N[C@H](C(O1)O)C)(C)C	PC-id_163943914	582.309	RTKVBFWRITVNTE-ZZWQLHQSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159925
Brc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)n(c2cc1)C	PC-id_4199167	582.553	ZPTULJIOIFAYDN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159926
Clc1c(sc2c1ccc(Cl)c2)C(=O)N1CCN(CC1)C(=S)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_20180586	582.585	XQQWWEARBHICBE-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-159927
c1(cc2c(cccc2)o1)C(=O)N1CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2noc(C1)c2	ZINC22_1772714123,PC-id_137344330,MCULE-5308147872,EMOLS-id_317489838	582.605	ZRRMZMOOVSZKQH-IAAUVJCUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-159928
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)Oc1ccccc1)Oc1ccccc1	SCHEMBL9338934,PC-id_19102888	582.645	XIVMHQISYOFQDI-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-159929
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)C(=O)OC	PC-id_18897992	582.645	BJNJNVNSRLZPML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159930
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)C1Cc2c(cccc2)C1	ZINC22_1772714470,PC-id_137342387,MCULE-5545616695,EMOLS-id_317517225	582.648	RZLQBCDPBNXRQF-OOADCZFESA-N	00000010100000100101000000001010000000000000000000000000	31-01-159931
O(C(=O)c1c2-c(c(C(=c3ccc(=C(C#N)C#N)cc3)C(=C(C#N)C#N)c3cc4-c(c3)ccccc4)c1)cccc(C(C)C)c2)C	PC-id_73292109	582.649	BCFXMINASKDZHB-UHFFFAOYSA-N	00000010100000100110000000000010000000000000000000000000	31-01-159932
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1cn2c(ccc(C)c2)n1	EMOLS-id_317486244,PC-id_137343361,ZINC22_1772713280,MCULE-6662370707	582.651	FZBNTVBZMWFWGR-VBVDBJQASA-N	00000000100000100101000001000010000000000000000000000000	31-01-159933
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C(F)(F)F)C(=O)OCC	PC-id_17304258	582.658	VMIQOFHXEVHMGQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159934
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(CC)c(nn1)COc1cc(ccc1)C(F)(F)F)C(=O)OC	PC-id_21164366	582.658	QNQFMJUGSLPBGM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159935
COC(=O)c1c(NC(=O)C2SC(=C(C2=N)C(=O)Nc2ccc(cc2)F)NCc2ccco2)sc2c1CCCCC2	MCULE-4760436019,EMOLS-id_48981991	582.666	IQMRCLKMYVHUGQ-UHFFFAOYSA-N	00000011101000110100000000000010000000000000000000000000	31-01-159936
COC(=O)c1c(NC(=O)[C@H]2SC(=C(C(=O)Nc3ccc(F)cc3)C2=N)NCc2ccco2)sc2c1CCCCC2	ZINC22_102929687,CoCoCo_3778383,CoCoCo_3778382	582.666	IQMRCLKMYVHUGQ-QHCPKHFHSA-N	00000011101000110100000000000010000000000000000000000000	31-01-159937
COC(=O)c1c(NC(=O)[C@@H]2SC(=C(C(=O)Nc3ccc(F)cc3)C2=N)NCc2ccco2)sc2c1CCCCC2	ZINC22_102929690,CoCoCo_3778380,CoCoCo_3778381	582.666	IQMRCLKMYVHUGQ-HSZRJFAPSA-N	00000011101000110100000000000010000000000000000000000000	31-01-159938
COC(=O)c1c(NC(=O)[C@H]2SC(=NCc3ccco3)C(=C2N)C(=O)Nc2ccc(cc2)F)sc2c1CCCCC2	PC-id_98387150	582.666	GVDWWLWMZCJWBO-QHCPKHFHSA-N	00000011101000110100000000000010000000000000000000000000	31-01-159939
COC(=O)c1c(NC(=O)[C@@H]2SC(=NCc3ccco3)C(=C2N)C(=O)Nc2ccc(cc2)F)sc2c1CCCCC2	PC-id_98387151	582.666	GVDWWLWMZCJWBO-HSZRJFAPSA-N	00000011101000110100000000000010000000000000000000000000	31-01-159940
s1c2c(CCCCC2)c(c1NC(=O)C1SC(=NCc2occc2)C(=C1N)C(=O)Nc1ccc(F)cc1)C(=O)OC	PC-id_4111190	582.666	GVDWWLWMZCJWBO-UHFFFAOYSA-N	00000011101000110100000000000010000000000000000000000000	31-01-159941
O(c1ccc(N(c2c3-c(c(N(c4ccc(OC)cc4)c4ccc(OC)cc4)c2)ccccc3)c2ccc(OC)cc2)cc1)C	PC-id_85692497	582.688	LLLHSKUQFZXJMO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159942
O(c1ccc(N(c2cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc3-c(c2)ccc3)c2ccc(OC)cc2)cc1)C	PC-id_85699361	582.688	ZCXIACXGFFTEDW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-159943
O=C(CCC(=O)O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C	SCHEMBL19636926	582.689	OWUKQNMKINOFAD-QYMQRSLASA-N	00000000100000000101000000000010000000000000000000000000	31-01-159944
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(C(=O)C)CCNC(=O)Cn1nc(C)n2	EMOLS-id_317495463,ZINC22_1772713746,PC-id_137342531,MCULE-9677262192	582.694	RNNFGOLJPVIRST-CNPGNWEMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159945
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccc2c(c1)OCO2	ZINC22_409010595	582.709	CORDEOQABFOZDA-JEPNHJGPSA-N	00000010100000110101000000001010000000000000000000000000	31-01-159946
CCOC(=O)CCCOc1cc(ccc1C(=O)N1CCCCc2c1ccs2)NC(=O)c1ccccc1c1ccccc1	PC-id_139750497	582.709	UOSNURVQDDOCQU-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159947
CCOC(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750493	582.709	QRBQKWHMBYYVHX-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-159948
C/C=CCN/N=C(/C1=CC=c2c(=CCC1)scn2)C(=C)/C=CONNC1CNCC(C1)CC1=C(P)CCC=C1F	PC-id_144301878	582.715	JNOYISABPARXKT-MDRGGCTCSA-N	00000000100011000111000000000010000000000000000000000000	31-01-159949
CC/C=C(/c1nc2=CC(=CCC(=c2o1)CC)C#N)C=C/CCSCC1CCN(CC1)c1ccc(cn1)CC(F)(F)F	PC-id_143486868	582.723	ZJROWSJZZPWTRI-QCUVJRQXSA-N	00000000100010101111100000000010000000000000000000000000	31-01-159950
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)CC)C(=O)OC	PC-id_18909569	582.731	ZSWDSXKFOQCIFV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159951
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)C)C(=O)OCC	PC-id_18909504	582.731	MMKAXJOIDXZAHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159952
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)CC)C(=O)OC	PC-id_18911945	582.731	OGYKIDWNDKXZSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159953
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)C)C(=O)OCC	PC-id_18911880	582.731	UXJPWHSMELQNBR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159954
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)C)C(=O)OC	PC-id_18909505	582.731	VTTQGLRKJFHFTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159955
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)C(=O)OCC	PC-id_18909539	582.731	IENLODMFFIAOSS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159956
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)C)C(=O)OC	PC-id_18911881	582.731	IWYOAZDTSLVJIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159957
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)C(=O)OCC	PC-id_18911915	582.731	ZTJCKXNJLMKMNY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159958
Cc1ccc(CNC(=O)[C@@H]2COCCCCCCCn3ccnc3C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N2)cc1	CHEMBL4442152	582.734	SRKZSDFHGYHOFA-DQEYMECFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159959
COC(=O)c1c(NC(=O)C2SC(=C(C2=N)C(=O)N2CCOCC2)NCCc2ccccc2)sc2c1CCCCC2	EMOLS-id_48981567,MCULE-2596960020	582.734	HBGUEGBKXUHPLY-UHFFFAOYSA-N	00000011100010110101000000000010000000000000000000000000	31-01-159960
COC(=O)c1c(NC(=O)[C@H]2SC(=C(C(=O)N3CCOCC3)C2=N)NCCc2ccccc2)sc2c1CCCCC2	ZINC22_102930092,CoCoCo_3776649,CoCoCo_3776646	582.734	HBGUEGBKXUHPLY-DEOSSOPVSA-N	00000011100010110101000000000010000000000000000000000000	31-01-159961
COC(=O)c1c(NC(=O)[C@@H]2SC(=C(C(=O)N3CCOCC3)C2=N)NCCc2ccccc2)sc2c1CCCCC2	ZINC22_102930095,CoCoCo_3776647,CoCoCo_3776648	582.734	HBGUEGBKXUHPLY-XMMPIXPASA-N	00000011100010110101000000000010000000000000000000000000	31-01-159962
COC(=O)c1c(NC(=O)[C@H]2SC(=NCCc3ccccc3)C(=C2N)C(=O)N2CCOCC2)sc2c1CCCCC2	PC-id_98387231	582.734	GOLYPGYHWCLEDQ-DEOSSOPVSA-N	00000011100010110101000000000010000000000000000000000000	31-01-159963
COC(=O)c1c(NC(=O)[C@@H]2SC(=NCCc3ccccc3)C(=C2N)C(=O)N2CCOCC2)sc2c1CCCCC2	PC-id_98387232	582.734	GOLYPGYHWCLEDQ-XMMPIXPASA-N	00000011100010110101000000000010000000000000000000000000	31-01-159964
s1c2c(CCCCC2)c(c1NC(=O)C1SC(=NCCc2ccccc2)C(=C1N)C(=O)N1CCOCC1)C(=O)OC	PC-id_4162426	582.734	GOLYPGYHWCLEDQ-UHFFFAOYSA-N	00000011100010110101000000000010000000000000000000000000	31-01-159965
CC(C)C[C@@H]1NC(=O)[C@H](CCCCN(C)C)NC(=O)CCc2cn(CCNC(=O)[C@H](Cc3ccccc3)NC1=O)nn2	ZINC22_952865899,MCULE-4638364366,EMOLS-id_313126779	582.737	XJEKPWMBDFEOTQ-GSDHBNRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-159966
N#CCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C(=O)Nc1nc2c(s1)N=C(CC=C2)OC)CC1CCCC1	PC-id_143114662	582.737	GTCOISAVPQIVCI-UHFFFAOYSA-N	00000010100010110111000000000010000000000000000000000000	31-01-159967
O=C1NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O[C@@H](C1)/C=C/CCSC(=O)[C@H](C(C)C)[NH3+])C(C)C)(C)C	PC-id_145405229	582.756	YBLKKAYDPCHCJG-IQGTVIFDSA-O	00000000100000000101000000000010000000000000000000000000	31-01-159968
c1(oc(cc1)C=C(NC(=O)c1ccccc1)C(=O)NCc1sc2CCCCCc2n1)SC(=S)N1CCOCC1	MCULE-4485705465,PC-id_73514220	582.757	AMDYAHARVPUXCA-UHFFFAOYSA-N	00000000101010110101000000000010000000000000000000000000	31-01-159969
O=C(NCc1nc2CCCCCc2s1)/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)/NC(=O)c1ccccc1	EMOLS-id_50246263,PC-id_19057141,ZINC22_113561460	582.757	AMDYAHARVPUXCA-XLNRJJMWSA-N	00000000101010110101000000000010000000000000000000000000	31-01-159970
CN1CCN(CC1)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL1323329,PC-id_24901167	582.759	RYSHWIVLRLVKME-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-159971
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC=C)C(=O)OCC	PC-id_19639351	582.777	XHHVJFDXPQAQMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159972
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC=C)C(=O)OC	PC-id_19639617	582.777	UMQBLAYWNKIVAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159973
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC=C)C(=O)OCC	PC-id_19632905	582.777	PUGOEXDJTPCCNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159974
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)C)cc1)C)CC=C)C(=O)OC	PC-id_19639309	582.777	OUCIOWCBNSEHFN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159975
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1ccc(C(C)(C)C)cc1)CC=C)C(=O)OC	PC-id_19632829	582.777	RYFMLMZNGZTAPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159976
O=C1C=CC(=C(c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)C=C1	PC-id_10532965	582.856	LSDMSYPLGSICET-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-159977
C=NOCCOC1(OCC)CCCCCc2c1nnn2CCOCCOCCOCCOCc1ccc(cc1)Cl	PC-id_140702331	583.117	GCAHBZNJSXKFDF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159978
CC(C)[C@H]1C(=O)O[C@@H](CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N1)(C)C)CCCCSC(=O)[C@H](C(C)C)N	PC-id_154946433	583.25	WXIQMNFVKMMXCZ-CZAAIQMYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-159979
CCOC(=O)C1=C(n2cccc2[C@H]([C@@H](C1)C(=O)c1ccccc1)Nc1ccc(cc1)Br)C(=O)c1ccccc1	PC-id_122209804	583.472	DLBGORKRMZUWMX-NAKRPHOHSA-N	00000000100000110110000000000010000000000000000000000000	31-01-159980
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)ccc(Cl)c1	PC-id_19639864	583.55	UMGCGHFWLQZEEX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159981
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc(Cl)cc1	PC-id_17269854	583.55	PGGOXKGFCLURBY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159982
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)ccc(Cl)c1	PC-id_19633133	583.55	XBLMTNHSHMWUJD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159983
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)C)ccc(Cl)c1	PC-id_19639824	583.55	AVWUHNIGESDTEV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159984
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)C)cc(Cl)cc1	PC-id_19638269	583.55	GWFHTWRZAHRXSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159985
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cc(Cl)cc1	PC-id_21167058	583.55	HSHAGEYZOINNKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159986
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)C)ccc(Cl)c1	PC-id_17306874	583.55	MCDWXZFKVVRWJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159987
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)ccc(Cl)c1	PC-id_19633060	583.55	NSIXMEVBIBEOCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159988
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cc(Cl)cc1	PC-id_17304903	583.55	FPBOWIPRHPFFMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159989
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)C)cc(Cl)cc1	PC-id_19638198	583.55	JJZFVPZXUCNNBA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159990
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)ccc(Cl)c1	PC-id_20122902	583.55	SFAYGMDCQKKANF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-159991
CCCCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC	ZINC22_408972371	583.579	SHGYCEZEIPBWED-UZWMFBFFSA-N	00000000100000110100000000000010000000000000000000000000	31-01-159992
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCC(C)C	ZINC22_408970770	583.579	DPMKKZTXJVNTSP-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-159993
COC(=O)C1CCC(C(=O)c2c1onn2)(C)CN1CCC[C@H]1C(=O)N(C(=O)[C@H](C(C)C)N)C(=O)OCc1ccccc1	PC-id_70095663,SCHEMBL7448887	583.633	RLXJRTQJWWXVAL-ZNGKXZOTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-159994
O=C1C(CN2C(CCC2)C(=O)N(C(=O)C(N)C(C)C)C(=O)OCc2ccccc2)(CCC(c2onnc12)C(=O)OC)C	PC-id_77775549	583.633	RLXJRTQJWWXVAL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-159995
COC[C@@H]1NC(=O)c2ccnn2CCCCCCCOC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)NC1=O	CHEMBL4541096	583.676	QHDWLKKONXAFRR-ZUHGBKBGSA-N	00100000100000110101000000000010000000000000000000000000	31-01-159996
COC[C@@H]1NC(=O)c2cnn(C)c2CCCCCCOC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)NC1=O	CHEMBL4469081	583.676	PMNCIGBYUYBJMJ-ZUHGBKBGSA-N	00100000100000110101000000000010000000000000000000000000	31-01-159997
COC[C@@H]1NC(=O)c2nccn2CCCCCCCOC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)NC1=O	CHEMBL4434736	583.676	RVTSAXCVMGINLH-ZUHGBKBGSA-N	00100000100000110101000000000010000000000000000000000000	31-01-159998
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2sccc2)cc1)C)C(=O)OCC	PC-id_19658832	583.676	KDGYXCYAOPGVSC-OKCVXOCRSA-N	00000000100100110100000000000010000000000000000000000000	31-01-159999
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2sccc2)cc1)C)C(=O)OCC	PC-id_73633332	583.676	KDGYXCYAOPGVSC-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-160000
C1CCC(CC1)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCn2cc(C[C@@H](C(=O)N1)NC(=O)OCc1ccccc1)nn2)CO	PC-id_137349204	583.679	QPOBCHAUHXOWOC-HVCNVCAESA-N	00000000100010110101000000000010000000000000000000000000	31-01-160001
O=C1NC(CCCCCn2nnc(CC(NC(=O)C(NC)C)C(=O)NC(C(=O)NC1Cc1ccccc1)C)c2)C(=O)N	PC-id_78118811	583.682	LTOFUMMYMPMRPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160002
O=C1N[C@@H](CCCCCn2nnc(C[C@H](NC(=O)[C@H](NC)C)C(=O)N[C@H](C(=O)N[C@H]1Cc1ccccc1)C)c2)C(=O)N	PC-id_71577260	583.682	LTOFUMMYMPMRPA-VHWBZUMISA-N	00000000100000110101000000000010000000000000000000000000	31-01-160003
Oc1ccc(cc1)[C@H]([C@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102352767	606.835	ZWRCTKBTMJYIPH-CXNSMIOJSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160946
COC1=c2n(CCCN3C4CCC3CN(C4)CC(=O)c3ccccn3)cc(c2=CC=CC1)C(=O)NCc1cccc(c1)F	PC-id_143502552	583.696	JMULYXYDEKFFJU-UHFFFAOYSA-N	00000010100010111111000000000110000000000000000000000000	31-01-160004
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)CCOCC	MCULE-5408965517,PC-id_137341795,EMOLS-id_317487009	583.722	PETQPINILZDESW-YWEHKCAJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160005
CCC1c2nnc(o2)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N1CC)C)C)CC(C)C)Cc1ccccc1	SCHEMBL18652940	583.722	HYXGQPKFEHKQTK-JSOPWYFPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160006
N#Cc1ccc(cc1)Cn1cncc1CN(S(=O)(=O)c1ccccc1)C1(C)C=CC=c2c(=C1)cc(s2)C(=O)N(C)C	PC-id_142190663	583.724	XADXFWNMFPOMON-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-160007
Cc1c(cccc1c1cn(C)c(=O)c(c1)Nc1ccc(cn1)N1CCCOCC1)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL1321897,PC-id_59740595	583.744	UXUDAFADKOSZPY-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-160008
O=C1NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O[C@@H](C1)/C=C/CC/S=C([C@@H](C(C)C)N)/O)C(C)C)(C)C	SCHEMBL19617474	583.764	UMQSTDCGUPXYBR-GAJQHJFLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160009
O=C1NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O[C@@H](C1)/C=C/CC/S=C([C@H](C(C)C)N)/O)C(C)C)(C)C	SCHEMBL19617620	583.764	UMQSTDCGUPXYBR-IQGTVIFDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160010
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)C(C)(C)C)n2C)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661147,PC-id_4655147,EMOLS-id_22699848,MCULE-9889722474	583.765	UKRSAXKFECPWQK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160011
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700110,MCULE-2109719988,CoCoCo_2661299,PC-id_4620353	583.765	WVEGGPWEPAQGOB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160012
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661336,MCULE-8841647575,PC-id_5070804,EMOLS-id_22700168	583.765	KXPNNTKPCJERRK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160013
C[C@H]1C/C(=C/C=CC(=O)O[C@@H](Cc2nc(cs2)CCC[C@@H](C(=O)O1)NC(=O)C)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	SCHEMBL20109907,PC-id_134471866	583.782	FCKFNBZYWUHQKJ-UWLUPKDDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160014
C[C@H]1C/C(=C/C=CC(=O)O[C@@H](Cc2nc(cs2)CCC[C@H](C(=O)O1)NC(=O)C)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	SCHEMBL20109914,PC-id_134471872	583.782	FCKFNBZYWUHQKJ-VZMADVEHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160015
CCNC/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)[C@H](CCCc2nc(C1)sc2)NC(=O)C)/C)C	SCHEMBL18123274,PC-id_122597442	583.782	UTFMONAYERSOCH-UWLUPKDDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160016
CC(C[C@@H]1NC(=O)c2csc(n2)[C@H](CC(C)C)NC(=O)[C@@H](N(C(=O)[C@@H](NC1=O)Cc1ccccc1)C)CC(C)C)C	PC-id_101571036	583.785	WWYUKSHHONMPME-IGRGDXOOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160017
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)CC)C(=O)OC	PC-id_19317799	583.785	DUPKPYLXXJBDPC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160018
Oc1ccc(cc1)[C@H]([C@@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102352769	606.835	ZWRCTKBTMJYIPH-PIYFIQLCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160947
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)C)C(=O)OCC	PC-id_19317673	583.785	KBXGTLDLGLVZOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160019
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)C)C(=O)OC	PC-id_19317674	583.785	YZAADOSMDFDXDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160020
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)C(=O)OCC	PC-id_19317708	583.785	GLIAPKJVHQUJCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160021
C/C=C(/C(C)C)C=C/1C(=CC(=C1C(C)C)CC=Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C=PN(C(C)(C)C)C)OC	PC-id_143208861	583.826	MZGJDRBOQOJXJP-VGVPKCNASA-N	00000011100000000110000000000010000000000000000000000000	31-01-160022
[OH+]=C1C=CC(=C(c2cc(c3-c2ccc(cc3)C(C)(C)C)C(C)(C)C)c2cc(c3-c2ccc(cc3)C(C)(C)C)C(C)(C)C)C=C1	PC-id_101706329	583.864	LSDMSYPLGSICET-UHFFFAOYSA-O	00000010100011000110000000000010000000000000000000000000	31-01-160023
CC[C@H](c1cccc(c1)C(=O)OC(C)(C)C)NC(=O)N1Cc2nnc(n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC)O	SCHEMBL12980504,PC-id_70815268	584.063	MCSRPUZVQRTITA-RBBKRZOGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160024
Clc1cc(CC2Cn3c(n[nH]c3=O)CN(C2=O)C(=O)NC(CC)c2cc(ccc2)C(=O)OC(C)(C)C)c(OC)cc1	PC-id_77928033	584.063	MCSRPUZVQRTITA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160025
Clc1c(COc2c(OC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cccc1	PC-id_19658381	584.083	IPVGFRIVQRKTRD-WCMJOSRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160026
Clc1c(COc2c(OC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cccc1	PC-id_73632891	584.083	IPVGFRIVQRKTRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160027
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/n(c2cc1)C	PC-id_4389190	584.128	XPQUYXKIDRXFMJ-SOYKGTTHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160028
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)CC	PC-id_3469595	584.128	UKNIYUGMWFQXDW-SOYKGTTHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160029
CCCCC/C=C/C/C=C/CCCCCCCC=NS(=O)(=O)C1=CC2=C(S1)S(=O)(=O)[C@H](CCN(C2)CC)C	PC-id_164051418	584.278	VYWQTARQKSKFOZ-URGQABOLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160030
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NC1CCCCNC1=O)Nc1c(cc(cc1)I)F)C	PC-id_91472358	584.445	CLSWHKNSIJYAHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160031
CC(=O)NC1CCN(C1)C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I	SCHEMBL4506662,PC-id_69071438	584.445	YZVFQSLOQRNAFI-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-160032
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)N1CCN(CC1)C(=O)C)CC(CNC2=O)(C)C	PC-id_69070032,SCHEMBL4503711	584.445	OMZCDXKYVHSQFS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160033
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CC(CCC2)C(=O)N)cc1	PC-id_69067831,SCHEMBL4498961	584.445	SDCXKQCBAJYRSW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160034
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CCC(CC2)C(=O)N)cc1	SCHEMBL4512458,PC-id_69073991	584.445	UJEJTEWGCOYZEM-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160035
Brc1ccc(c2oc(C=c3sc(=C(c4n5CCCCCc5nn4)C#N)n(c3=O)c3ccccc3)cc2)cc1	MCULE-1579162389,EMOLS-id_300969199,PC-id_4612692	584.486	IMKXYFWPCTVMTD-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-160036
N#C/C(=c
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N#C/C(=c/1s/c(=C/c2ccc(c3ccc(Br)cc3)o2)/c(=O)n1c1ccccc1)/c1nnc2n1CCCCC2	PC-id_75409716,CoCoCo_3609878,ZINC22_97981732	584.486	IMKXYFWPCTVMTD-SYQJIQKSSA-N	00000000101000110101100000000010000000000000000000000000	31-01-160038
N#C/C(=c
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CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC1CCCCN1C)Nc1c(cc(cc1)I)F)C	PC-id_91550440	584.488	KOTTUBQQUOLMMV-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160040
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCC1CCCN1C)Nc1c(cc(cc1)I)F)C	PC-id_90739267	584.488	QHSGPVBPNSQFOB-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-160041
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCN1CCCCC1)Nc1c(cc(cc1)I)F)C	PC-id_90993219	584.488	ZBURXQYCBKGWAA-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160042
CCN1CCCC1CNC(=O)c1c(sc2c1CC(CNC2=O)(C)C)Nc1c(cc(cc1)I)F	PC-id_90826318	584.488	MNLBTENNAWDGCS-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-160043
Clc1cc(S(=O)(=O)NC(C(=O)N2CCc3c(scc3)CC2)Cc2cc([N+](=O)[O-])c(N)cc2)cc(Cl)c1N	SCHEMBL9142145,PC-id_20089090	584.495	KBQKIWUORMKQHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160044
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCC(=O)N	ZINC22_408970329	584.524	GCHYLVFTUVPXMU-WCMJOSRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160045
Clc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cc2)ccc1Cl	PC-id_19678698	584.558	RVSIHGHDTUYPKT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160046
Clc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OC)cc2)cc(Cl)c1	PC-id_19680050	584.558	RDHQUBXOJLBAQQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160047
C=C/C=C(c1ccc(cc1C)Cl)/n1nc(c2c1C(CCCC2)Cc1cccc(c1)Cl)C(=O)N[C@@H](c1ccccc1)C	PC-id_145479793	584.578	YOVWBGQSAQVLLN-HGVOYBQSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160048
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)C(=O)OCC	PC-id_20166475	584.595	SDBJBCHFVHMUCU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160049
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1ccc2c(CCO2)c1	MCULE-8222649075,ZINC22_1772713395,PC-id_137338501,EMOLS-id_317484715	584.621	JIMYMOHPAVRXSJ-IAAUVJCUSA-N	00000010100000100101000000001010000000000000000000000000	31-01-160050
O=C1NC(CCCCCn2nnc(CC(NC(=O)C(NC)C)C(=O)NC(C(=O)NC1Cc1ccccc1)C)c2)C(=O)O	PC-id_78118762	584.667	NABCAIOWZWWJRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160051
O=C1N[C@@H](CCCCCn2nnc(C[C@H](NC(=O)[C@@H](NC)C)C(=O)N[C@H](C(=O)N[C@H]1Cc1ccccc1)C)c2)C(=O)O	PC-id_71577096	584.667	NABCAIOWZWWJRH-VRIGVRMUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160052
CC1=C(C=Cc2nn(cc2C1)CCC1CCN(CC1)C(=O)c1ccc(cc1)Oc1ccc(cc1)OC)C(=O)NCCOC	PC-id_134188729,SCHEMBL19791609	584.705	FXQXMTMXBXWKNW-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-160053
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C#Cc1ccc(s1)C#Cc1cc(c2-c1cccc(c2)C(C)C)C(=O)OC	PC-id_101485101	584.723	HGYNWQGKVZEGNF-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-160054
Cc1c(cccc1c1cc(Nc2ccc(nn2)CN2CCOCC2)c(=O)n(c1)C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL13044170,PC-id_59557879	584.732	SRAVLFPKRQNZLO-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-160055
OC1CCN(CC1)c1ccc(nn1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL1037330,PC-id_59557877	584.732	YWXFGWKFOYWRRH-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-160056
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)CC)C(=O)OCC	PC-id_18897894	584.747	OVFKNYYUIAQTLP-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-160057
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)CC)C(=O)OC	PC-id_18897895	584.747	UVWWVOXNEXZSFK-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-160058
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)C)C(=O)OCC	PC-id_18897830	584.747	GCLPUKQOTATMGQ-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-160059
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C)ccc1)c1ccccc1)C(=O)OC	PC-id_18911318	584.748	LNSCXHSFCDUPNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160060
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(ccc2)C)ccc1)c1ccccc1)C(=O)OC	PC-id_18911450	584.748	WWLAEFVQKALXHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160061
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(cc2)C)ccc1)c1ccccc1)C(=O)OC	PC-id_18911582	584.748	RLUSXTYKKDDGJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160062
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)Cc2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18911054	584.748	PNCKEXSOHJCDRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160063
CNCCNC1=CC=C(CCC=N1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_143646188	584.775	AOHJFEPBAQFDIL-UHFFFAOYSA-N	00000000100000111110100000000010000000000000000000000000	31-01-160064
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC)C(=O)OCC	PC-id_19639578	584.793	IZMMFRVCIDYKCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160065
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC)C(=O)OC	PC-id_19639506	584.793	FUGIJCGIYSRURB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160066
Oc1ccc(C(c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)cc1	PC-id_10555318	584.872	PPIVZLASSFSBIH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160067
OCCN1COCN(c2c(C1=O)n(Cc1ccc(cc1)Cl)c(n2)OCCCOc1cccc(c1)OC(F)(F)F)C	SCHEMBL19375025	584.972	GPIHBRZUVWIIDP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160068
CCCC(c1cc(c(cc1)C(=O)O)N)NC(=O)N1Cc2nn(c(=O)n2CC(C1=O)Cc1c(ccc(c1)Cl)OC)CC	PC-id_88994772	585.051	WLOQCGMZFCCMSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160069
CCC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N1Cc2nn(c(=O)n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC)CC	SCHEMBL12980813	585.051	WLOQCGMZFCCMSE-PGRDOPGGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160070
CCOC(=O)CCC1=C(NC2=C1COCCCC2)/C=C/C4=C(C=CC(=C4)NS(=O)(=O)C5=CC(=CC(=C5)F)F)NC3=O	PC-id_163837722	585.175	OJGHFSDIJOPJAG-HAHDFKILSA-N	00000010100000110100000000001010000000000000000000000000	31-01-160071
Clc1ccc(CC(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)CC)ccc2)cc1	PC-id_18909438	585.177	YUQHNIJSJOSSCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160072
Clc1ccc(CC(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)C)ccc2)cc1	PC-id_18909374	585.177	MTPGJZCCMQGQRG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160073
Clc1ccc(CC(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)CC)ccc2)cc1	PC-id_18909439	585.177	CASOPCCNZFQIBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160074
Clc1cc(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)CC)ccc2)ccc1	PC-id_18910496	585.177	VMRPREZAJBGVDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160075
BrCCCCC(=O)Nc1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL17509123,PC-id_118875570	585.337	NZOOQDDJTLXZHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160076
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC(C(F)(F)F)O)Nc1c(cc(cc1)I)F)C	PC-id_90912994	585.354	YCVKQIVRJOBGPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160077
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC	PC-id_5018115	585.379	RHSBKEOCYVCOBC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160078
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC	PC-id_4226844	585.379	NSEHKWTXMUVLQV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160079
COC(=O)C1CCCN1C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I	SCHEMBL4512313,PC-id_69073932	585.43	OGDRGOHAWHBHHL-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-160080
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2C(CCCC2)C(=O)O)cc1	PC-id_69074137,SCHEMBL4512832	585.43	HTHDPHWUFLHKTP-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160081
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCN1CCNC1=O)Nc1c(cc(cc1)I)F)C	PC-id_91313361	585.433	FXIQZLCBKXUSME-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-160082
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC1(CCCCC1)O)Nc1c(cc(cc1)I)F)C	PC-id_90986499	585.473	LVVPVEQNNJAZEI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160083
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CCC(CC2)CCO)cc1	PC-id_69070477,SCHEMBL4504663	585.473	QZVACXOTKVIGJS-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160084
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2C(CCCC2)CCO)cc1	PC-id_69075064,SCHEMBL4515099	585.473	GQUNLQAFMLTLLM-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160085
Clc1cc(S(=O)(=O)NC(C(=O)N2CCc3scnc3CC2)Cc2cc([N+](=O)[O-])c(N)cc2)cc(Cl)c1N	SCHEMBL9145949,PC-id_20089081	585.483	ZOKUWKRQBYMOSY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160086
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCC(=O)O	ZINC22_408969169	585.509	ILXRDIDLDWIPKV-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160087
COC(=O)COc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408972145	585.509	SSEVNVVFBNDCTH-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160088
COC(=O)C1CCC(=O)NCCCn2nnc(CC(C(=O)NC(C(=O)N1)CC(C)C)NC(=O)OCc1ccccc1)c2	PC-id_78148733,SCHEMBL16697428	585.652	VDWJZASSJLHJEJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160089
N#C/C(=c
/s/c(=Cc2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)/c(=O)n1c1ccc(cc1)F)/c1nnc2n1CCCCC2	CoCoCo_3610168,PC-id_16257128	585.652	RSYDHVVUXRIHNX-TVOWMELBSA-N	00000000100010110101100000000010000000000000000000000000	31-01-160090
N#C/C(=c/1s/c(=C/c2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)/c(=O)n1c1ccc(cc1)F)/c1nnc2n1CCCCC2	CoCoCo_3610170	585.652	RSYDHVVUXRIHNX-JMOCZLCSSA-N	00000000100010110101100000000010000000000000000000000000	31-01-160091
N#CC(=c1sc(=Cc2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)c(=O)n1c1ccc(cc1)F)c1nnc2n1CCCCC2	MCULE-5472802778,EMOLS-id_300279122,PC-id_72077609	585.652	RSYDHVVUXRIHNX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-160092
N#C/C(=c
/s/c(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)/c(=O)n1c1ccc(F)cc1)/c1nnc2n1CCCCC2	PC-id_98688820,ZINC22_105752941,CoCoCo_3610171,CoCoCo_3610169	585.652	RSYDHVVUXRIHNX-MMEODIOLSA-N	00000000100010110101100000000010000000000000000000000000	31-01-160093
O=C1N[C@@H](CCC(=O)NCCCn2nnc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N[C@H]1CC(C)C)c2)C(=O)OC	PC-id_71682192	585.652	VDWJZASSJLHJEJ-VABKMULXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160094
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc(c2)C(=O)OC)C(=O)OC	PC-id_4199663	585.715	IRBSSXJKBFGIIK-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160095
Cc1c(cccc1NC(=O)c1cc2c(s1)CCCCC2)c1c[nH]c(=O)c(c1)N(C)c1ncc(cc1)C(=O)N(C)CCO	PC-id_87603251	585.716	BTUJYCMMFZGUKQ-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-160096
OCCN(C(=O)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	SCHEMBL1321837,PC-id_59740564	585.716	MNONPYUYKUUCDB-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-160097
c12csc([C@H](Cc3ccccc3)NC(=O)CNCCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)n2	EMOLS-id_317335192,MCULE-9838292386,ZINC22_1704321767,PC-id_135091116	585.718	YWVOKNFZUSWYGY-KQZHTCIUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160098
c1(NC(=O)C(C)Sc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3363789,EMOLS-id_11051776,MCULE-6971325368	585.738	LZERLHJEOYRDGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160099
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C2CCCCC2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-8993181692,CoCoCo_2661518,PC-id_5091321,EMOLS-id_22700450	585.738	SZEJNRMRDJTKQQ-UHFFFAOYSA-N	00000000101010000101100000000010000000000000000000000000	31-01-160100
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCCCC2	CoCoCo_2662011,PC-id_97991747	585.738	LZERLHJEOYRDGR-QGZVFWFLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160101
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)Cc2ccc(cc2)OC)C)sc2c1CCCCC2	CoCoCo_2662012,PC-id_97991748	585.738	LZERLHJEOYRDGR-KRWDZBQOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160102
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=O)Nc1cc[n+](cc1)CCCOC1=c2c(=CCCCC(=O)OC1)cco2)C	PC-id_91590080	585.753	ZQYPMQKPMUCRLA-UHFFFAOYSA-O	00000000100011101110000000000010000000000000000000000000	31-01-160103
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc(OCC)c2)C(=O)OCC	PC-id_4532229	585.758	TUOOCXUTFPWLFC-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160104
CN(CCN(c1ccc(nn1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C)C	SCHEMBL13044179,PC-id_59557870	585.763	MLVMPWXIXCVASQ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-160105
Cc1c(cccc1c1cn(C)c(=O)c(c1)Nc1ccc(cn1)N1CCSCC1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_70668609,SCHEMBL12120961	585.783	UXMUKZZPJLYFIQ-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-160106
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2c(cc(cc2C)C)C)cc1)C(=O)OCC	PC-id_19678887	585.801	XKSQGZDWNXYILU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160107
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn(Cc2c(Cl)cccc2F)c1	PC-id_20172260	585.94	BQGJQDAPLQPJED-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160108
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nn(Cc2c(Cl)cccc2F)c1	PC-id_20172253	585.94	MBCSMIWNOUKXLK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160109
Clc1c(COc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)cc2)c(F)ccc1	PC-id_4126357	586.074	MMOFHEOCARFOSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160110
Clc1c(COc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/C)cc2)c(F)ccc1	PC-id_9648437	586.074	MMOFHEOCARFOSP-ATZGPIRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160111
CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)NC3=C(C=C(C=C3F)N4CC(OC4=O)CNC(=S)C)F	PC-id_163766264	586.17	MCNPHLXQPFUSTR-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-160112
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2C(CNCC2)C(=O)O)cc1	PC-id_69067789	586.418	LTFUDMQWQVYXLX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160113
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2[C@H](CNCC2)C(=O)O)cc1	PC-id_69067787	586.418	LTFUDMQWQVYXLX-OAHLLOKOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160114
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2[C@@H](CNCC2)C(=O)O)cc1	PC-id_69073040	586.418	LTFUDMQWQVYXLX-HNNXBMFYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160115
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NCCN1CCOCC1)CC(CNC2=O)(C)C	SCHEMBL4507276,PC-id_69071717	586.461	QBVGLSRUPCTYRM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160116
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CCN(CC2)CCO)cc1	SCHEMBL4500099,PC-id_69068416	586.461	WYCNHRHVWMQFCO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160117
CCNCCCN(C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I)CC	SCHEMBL4509073,PC-id_69072507	586.504	LEQFQNBYDSBSNM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160118
CN(CC(CNC(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I)(C)C)C	PC-id_69069372,SCHEMBL4502191	586.504	WCLQFRLWXNXCPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160119
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C(F)(F)F)(C)C)C(=O)c1cc(F)c(c(c1)F)OCCN1CCOCC1)C	SCHEMBL19644416	586.551	XMMLWKDJWUKRNB-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-160120
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)C)cc1	PC-id_19638082	586.567	AKKGSRXMALEICE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160121
O=C(Nc1ccccc1)c1c(/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)sc2c1CCCCCC2	ZINC22_408964167	586.574	QUTUUXNTNDZFAL-ODNPBWNPSA-N	00000000100000110100000001100010000000000000000000000000	31-01-160122
O=C(Nc1ccccc1)c1c(/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)sc2c1CCCCCC2	ZINC22_408969528	586.574	PIZRJLACZOZVQC-ODNPBWNPSA-N	00000000100000110100000001100010000000000000000000000000	31-01-160123
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1c(F)c(F)c(F)c(F)c1F)C)C(=O)OCC	PC-id_20170580	586.64	FAYWPBGAGKZEKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160124
Brc1ccc(C(=O)c2n3c(C(CCCC3)C(=O)OCCCCCCCCCCCC)cc2CCCC)cc1	SCHEMBL11201940,PC-id_70536282	586.643	DXIBKWYUNDBCOU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160125
COC1(C)C=Cc2c(C=C1)nc(n2S(=O)(=O)c1ccc(cc1)OCC(=O)[O-])S(=O)Cc1ncc(c(c1C)OC)C	PC-id_143625132	586.657	ZSGZJNYNLILUTQ-UHFFFAOYSA-M	00000000100000111111000000000010000000000000000000000000	31-01-160126
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2C)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_11051410,MCULE-8948153831,PC-id_4056429	586.683	MIPYQQDILUEAIU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160127
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2050154797,PC-id_3339119,EMOLS-id_22699856,CoCoCo_2661151	586.683	WRXWNUSFBDPUIA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160128
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccc(cc2)[N+](=O)[O-])C)sc2c1CCCCC2	CoCoCo_2661885,PC-id_97991645	586.683	MIPYQQDILUEAIU-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160129
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccc(cc2)[N+](=O)[O-])C)sc2c1CCCCC2	CoCoCo_2661886,PC-id_97991646	586.683	MIPYQQDILUEAIU-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160130
Cn1cc(CN2C[C@H](COC(=O)c3cn(C)c4ccccc34)NC(=O)c3nn(CCc4ccccc4)cc23)c2ccccc12	BindingDB_PC-id_45486091,CHEMBL571076,PC-id_45486091,GD-id_ZINC49694965	586.683	BVRFZEYZVLZWLD-AREMUKBSSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160131
O(CC1NC(=O)c2nn(cc2N(C1)Cc1c2c(n(c1)C)cccc2)CCc1ccccc1)C(=O)c1c2c(n(c1)C)cccc2	PC-id_75116421	586.683	BVRFZEYZVLZWLD-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160132
OC(C1NC(=O)C(NC(=O)C(NC(=O)C(n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_74941496	586.685	AXADKLFUSGSRGS-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160133
O[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44178977	586.685	AXADKLFUSGSRGS-OEXCYEIXSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160134
O[C@H]([C@H]1NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44178978	586.685	AXADKLFUSGSRGS-YBBSJMFESA-N	00000000100000110101000001100010000000000000000000000000	31-01-160135
O[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44178979	586.685	AXADKLFUSGSRGS-SSZQCFGPSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160136
O[C@H]([C@H]1NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44179063	586.685	AXADKLFUSGSRGS-PZVLQFDUSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160137
O[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44179064	586.685	AXADKLFUSGSRGS-DQHPLHCISA-N	00000000100000110101000001100010000000000000000000000000	31-01-160138
O[C@H]([C@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44179065	586.685	AXADKLFUSGSRGS-YIQMWHDCSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160139
O[C@@H]([C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44179066	586.685	AXADKLFUSGSRGS-IWWCLAPSSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160140
O[C@H]([C@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44179135	586.685	AXADKLFUSGSRGS-LATWIGIPSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160141
O[C@@H]([C@@H]1NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44179136	586.685	AXADKLFUSGSRGS-YWKPHWBXSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160142
O[C@H]([C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44179137	586.685	AXADKLFUSGSRGS-RPBQINIYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160143
O[C@@H]([C@@H]1NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44179138	586.685	AXADKLFUSGSRGS-CXUOJKITSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160144
O[C@H]([C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44179215	586.685	AXADKLFUSGSRGS-QMICHDEKSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160145
O[C@H]([C@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44179216	586.685	AXADKLFUSGSRGS-DNHYOLCMSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160146
O[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44179217	586.685	AXADKLFUSGSRGS-XKVUNRPHSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160147
O[C@H]([C@H]1NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44179218	586.685	AXADKLFUSGSRGS-LLFHJXMASA-N	00000000100000110101000001100010000000000000000000000000	31-01-160148
O[C@@H]([C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](n2nnc1c2)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)CCCCN)C	PC-id_44179292	586.685	AXADKLFUSGSRGS-IFUXJDATSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160149
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc([N+](=O)[O-])c2)C(=O)OCC	PC-id_4075336	586.703	IHQUCGZHYOJTCT-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160150
O=c1oc2-c(c1C#Cc1ccc(s1)c1ccc(s1)C#Cc1c(=O)oc3-c1cc(ccc3)C(C)C)cc(ccc2)C(C)C	PC-id_101789612	586.719	JRVVJEFYDJDWOC-UHFFFAOYSA-N	00000010100100000110100000000010000000000000000000000000	31-01-160151
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC=C)C(=O)OCC	PC-id_19731451	586.723	KYHVXZYISBCECY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160152
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)c1cc(OC)c(OC)c(OC)c1)CC=C)C(=O)OC	PC-id_17265061	586.723	NXHZYLMYWDIWIB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160153
s1c2c(CCCCC2)c(c1NC(=O)c1sc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC)cc1)C(=O)OC	PC-id_4577720	586.743	WFQWKTWDXJJQFP-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-160154
CN(CCc1cccnc1)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3c3ccccc3)cc2)c2ccsc12	BindingDB_PC-id_11365307,CHEMBL177556,PC-id_11365307	586.746	LRGAOOBYJCRZOE-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-160155
O(C(=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C)c1c(c(c(OC(=O)c2c3-c(c(c2)C)cc(C(C)C)ccc3C)cc1)C)C	PC-id_12122691	586.759	PFPNWYTXHYFVON-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160156
Fc1ccc(cc1)CS(=C)(=C)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCCC1)/C(=O)N2	PC-id_145511750	586.762	RSOXJXPMYDGBHZ-HFTWOUSFSA-N	00000010100010110100000000001010000000000000000000000000	31-01-160157
CCOC(CN(C1CCC(CC1)CCC(=O)OC)C(=O)Nc1nc2c(s1)CCN(CC2)Cc1ccccc1)OCC	PC-id_88932087	586.786	PVUMQUTUVWNKQC-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160158
CCOC(CN(C(=O)Nc1nc2c(s1)CCN(CC2)Cc1ccccc1)[C@@H]1CC[C@H](CC1)CCC(=O)OC)OCC	SCHEMBL12532900	586.786	PVUMQUTUVWNKQC-ALOJWSFFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160159
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nn1)C)C(=O)OCC	PC-id_23734472	586.789	IBOUYVBYTIQGPV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160160
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)N)C(=O)N	PC-id_4429531	586.809	PYDWDNOBMMKHQY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160161
CC(c1ccc(c2-c(c1)c(C)cc2C(C(c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1cccs1)c1cccs1)C)C	PC-id_101760691	586.891	NNVWZRGUGKNXLL-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-160162
CC(c1ccc(c2-c(c1)c(C)cc2[C@H]([C@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1cccs1)c1cccs1)C)C	PC-id_101770740	586.891	NNVWZRGUGKNXLL-LQDDJWCHSA-N	00000010100100000110000000000010000000000000000000000000	31-01-160163
CC(c1ccc(c2-c(c1)c(C)cc2[C@@H]([C@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1cccs1)c1cccs1)C)C	PC-id_101770741	586.891	NNVWZRGUGKNXLL-XRSDMRJBSA-N	00000010100100000110000000000010000000000000000000000000	31-01-160164
s1c2c(CCCCC2)c(c1NC(=S)NCCCCOc1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(=O)OCC	PC-id_19650386	586.892	QONIYOGJBJBYPJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160165
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCOc1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(=O)OC	PC-id_19650379	586.892	INBLMNXNSGBZRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160166
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC1CCNCC1)Nc1c(cc(cc1)I)Cl)C	PC-id_91585078	586.916	RDATVLYYQWXUMQ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160167
CC(C)(C)OC(=O)N(C)C1CCOC2=C(C=NN2C1)S(=NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(=O)N	PC-id_160422333	587.257	QHZNIJRKDRAPFX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160168
CCOC(=O)CC(NC(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I)C	PC-id_69079183,SCHEMBL4526282	587.446	CBOJATUEOSDHHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160169
Ic1ccc(S(=O)(=O)NCCCCc2c3-c(c(S(=O)(=O)O)c2)ccc(C(C)C)cc3)cc1	PC-id_9916440	587.491	HCZHITUFUVYUEJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160170
CCNCCNCCNC(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I	PC-id_69071693,SCHEMBL4507213	587.492	FZZAUNRHJCAQCD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160171
Cc1ccc(COc2ccc(/C=N/c3sc4c(c3C(=O)Nc3ccccc3)CCCCCC4)cc2Br)cc1	ZINC22_408970455	587.57	IEFAVKHQIGTCRE-QXUDOOCXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160172
CCOC1=CC(=C=O)N(C(=O)c2c1c(c(n2COCC[Si](C)(C)C)Br)CO)COCC[Si](C)(C)C	SCHEMBL8863547,PC-id_86750712	587.651	LNZALDWCIYXFBT-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-160173
c1(NC(=O)CCCS(=O)(=O)c2nc(c3cccs3)cc(C(F)(F)F)n2)sc2c(CCCCC2)c1C(=O)OC	EMOLS-id_7709730,CoCoCo_2005181,PC-id_4046777,ZINC22_3655112,MCULE-6667004618,TIMTEC362242,GD-id_ZINC03655112	587.655	OPUKFTOEKIZHHA-UHFFFAOYSA-N	00000000100100100101100000000010000000000000000000000000	31-01-160174
COC1(C)C=Cc2c(C=C1)nc(n2S(=O)(=O)c1ccc(cc1)OCC(=O)O)S(=O)Cc1ncc(c(c1C)OC)C	PC-id_143323442	587.664	ZSGZJNYNLILUTQ-UHFFFAOYSA-N	00000000100000111111000000000010000000000000000000000000	31-01-160175
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1ncc(c(OC)c1C)C	EMOLS-id_317513123,ZINC22_1772714461,PC-id_137343027,MCULE-2186020328	587.668	RSWKOMHEFHYDJT-WKZKVMAPSA-N	00000000100000101101000000000010000000000000000000000000	31-01-160176
CC(C)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCn2cc(C[C@@H](C(=O)N1)NC(=O)OCc1ccccc1)nn2)C(=O)S	PC-id_134823833	587.691	XHXNHAXVKIXZRH-FKBYEOEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160177
Fc1c(cccc1c1cn(C)c(=O)c(c1)Nc1ccc(cn1)N1CCCOCC1)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL1323057,PC-id_59740567	587.707	BLYGIFQGUBDDAQ-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-160178
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4600071,MCULE-4590255171,CoCoCo_2661641,EMOLS-id_11051504	587.711	ITFNSWJZCYPMQZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160179
c1(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_5143575,MCULE-9350591041,CoCoCo_2661204,EMOLS-id_22699952	587.711	DFNYJUZFVFXAIS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160180
O=C1NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O[C@@H](C1)/C=C/CCSC(=O)c1cccnc1)C(C)C)(C)C	SCHEMBL19636888	587.711	RUHXTWIGYJBOSA-CPSUGSBPSA-N	00000000100000101101000000000010000000000000000000000000	31-01-160181
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccccc1	EMOLS-id_317492848,PC-id_137336979,ZINC22_1772700822,MCULE-2603985424	587.712	HTTMKYFHEJGCKA-UHSQPCAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160182
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661701,MCULE-3848844441,PC-id_3525738,EMOLS-id_22700750	587.729	MSXZHUHTOLWNBN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160183
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700522,MCULE-6525358367,PC-id_4660403,CoCoCo_2661562	587.729	WDLZJTFBHYKQJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160184
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc(c2)C(=O)OC)C(=O)OC	PC-id_4644311	587.731	SDNKRSJJHHMLTP-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160185
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)S(=O)(=O)C1CC1	ZINC22_1772714139,EMOLS-id_317514146,PC-id_137344465,MCULE-1059375513	587.734	BPFMESIUQSVYGC-BVAGGSTKSA-N	00100000100000110101000000000010000000000000000000000000	31-01-160187
O=C(N1CCC[C@H](c2c1ccs2)[N@@H+](CCc1cccnc1)C)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	GD-id_ZINC28109984	587.754	LRGAOOBYJCRZOE-JGCGQSQUSA-O	00000000100000111100100000000010000000000000000000000000	31-01-160188
O=C(N1CCC[C@@H](c2c1ccs2)[N@H+](CCc1cccnc1)C)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	GD-id_ZINC28109991	587.754	LRGAOOBYJCRZOE-YTTGMZPUSA-O	00000000100000111100100000000010000000000000000000000000	31-01-160189
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c2ccc(C(C)C)cc2)c1C#N)C#N)C(=O)OCC	PC-id_23917440	587.755	WTMOMQIMLYBUPE-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-160190
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c2ccc(CC)cc2)c1C#N)C#N)C(=O)OCC	PC-id_23833231	587.755	LXRPSAJOMIBCAZ-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-160191
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c2ccc(C(C)C)cc2)c1C#N)C#N)C(=O)OC	PC-id_23889461	587.755	MLSCJGASCJKMTD-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-160192
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc(OCC)c2)C(=O)OCC	PC-id_4192645	587.774	GJALBNBUTVVJJK-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160193
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O(CCCCCCCC)c1ccc(/N=N/c2ccc3-c(nc(n3)NC(=O)CCCCCCCCCCCCC)cc2)cc1	PC-id_85993432	587.838	FMLBSFVMMZNHQP-CDJCAARLSA-N	00000010100000110111000000000010000000000000000000000000	31-01-160196
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COc1ccc(cc1CN(C(=O)c1sc2c(c1Cl)CC(=CC[C@@H]2F)F)C1CCCCC1)c1cccc(c1)SC	PC-id_143670038	588.171	UQZAOQCTRRAVBB-SANMLTNESA-N	00000000100010110110100000000010000000000000000000000000	31-01-160201
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nn(Cc2cc(Cl)c(Cl)cc2)c1	PC-id_20172734	588.368	HOKXIOKRXNBMIV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160202
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OC)nn(Cc2c(Cl)cc(Cl)cc2)c1	PC-id_20172979	588.368	WCCVIEAVZJVDAN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160203
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CC(O)(C2)C[N+](=O)[O-])cc1	SCHEMBL4259686,PC-id_68977976	588.391	GOQBNAWHLMOMKF-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-160204
CNCCOCCN(C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I)C	SCHEMBL4515126,PC-id_69075076	588.477	WYSQZHLWDYQDHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160205
Clc1c(COc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc(Cl)c1	PC-id_19660119	588.502	IWRBOHOAXWDTOV-IBBHUPRXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160206
Clc1c(COc2ccc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc(Cl)c1	PC-id_73634583	588.502	IWRBOHOAXWDTOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160207
Clc1c(COc2cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)c(Cl)ccc1	PC-id_19661473	588.502	CLFIBLWCAQBDLA-IBBHUPRXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160208
Clc1c(COc2cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)c(Cl)ccc1	PC-id_73635905	588.502	CLFIBLWCAQBDLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160209
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)C(F)F)cc(OCC(F)(F)F)c1)C(=O)OC	PC-id_20166377	588.559	ULIVQZLEFWSGRA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160210
O=C(NC(C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O)Cc1c[nH]c2c1C=CCCC=C2)CCCc1ccccc1	PC-id_142131287	588.694	HHXXSYSWQYXVBT-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160211
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)CC(C)C	ZINC22_1772707777,MCULE-7192127581,EMOLS-id_317498249,PC-id_137338402	588.697	ZWXYRIAEHBGSFJ-FDJWOJMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160212
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1ccccc1	PC-id_137334219,EMOLS-id_317474928,MCULE-3363628106,ZINC22_1772701130	588.697	CBUHQGFHRDYOCH-GDKKVTFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-160213
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccccn1	ZINC22_1772714073,EMOLS-id_317504677,PC-id_137339071,MCULE-1762295441	588.7	YQCDLFCBCBFSSU-NAKRPHOHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160214
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cccnc1	EMOLS-id_317482405,ZINC22_1772713541,PC-id_137342252,MCULE-1968044485	588.7	LIBKCBNPPDFXGM-NAKRPHOHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160215
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccncc1	ZINC22_1772713902,PC-id_137340656,MCULE-1822278311,EMOLS-id_317518254	588.7	WCCQJHLTUAEUFU-NAKRPHOHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160216
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(F)cc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18910262	588.712	DDHUWMZRHPAHRI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160217
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(F)cccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18910130	588.712	PUCJJLZYSXLCQU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160218
Cc1ccc(cc1)CS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCOCC1)/C(=O)N2	PC-id_145511805	588.717	ZKEKZLBJLMSLRY-XHPQRKPJSA-N	00000010100010110101000000001010000000000000000000000000	31-01-160219
COc1cc(ccc1C(=O)Nc1cccc2c1nc(n2C(=O)OC(C)(C)C)C)C(=O)N1CCCCc2c1sc(c2C)C	PC-id_18378673,SCHEMBL7018668	588.717	KFJJNNTXELBEHY-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-160220
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc([N+](=O)[O-])c2)C(=O)OCC	PC-id_5070627	588.719	WKIPTWGLQTYFKQ-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160221
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2occc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18910397	588.737	VFKNMCCEUCVNJC-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-160222
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3cccc(C)n3)CCCNC(=O)Cn1nc(C)n2	ZINC22_1772817585,MCULE-1987120882,EMOLS-id_317897676	588.744	FIMLJDZHDJAPJF-OFSOJUDTSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160223
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2ccc(OC(C)C)cc2)nn1)C)C(=O)OCC	PC-id_23877357	588.762	CPALHMHDVSBRPQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160224
c1(NC(=O)CCCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_4197768,CoCoCo_6807948,SPECS-id_AK-968/13407021,ZINC22_8443902,TIMTEC431129,MCULE-6666359451,GD-id_ZINC08443902,PC-id_4243829	588.778	ROVJDXOTEVRHKO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160225
c1(NC(=O)CCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)sc2c(CCCCC2)c1C(=O)OCCC	PC-id_4325870,TIMTEC450696,ZINC22_97948637,MCULE-5573047551,CoCoCo_6803789,EMOLS-id_4197764	588.778	SKKPYLRQYRKWTK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160226
c1(NC(=O)CCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_4078834,MCULE-3387456631,CoCoCo_6803788,TIMTEC300190,EMOLS-id_4197766,ZINC22_97948638	588.778	LYOWKSOJEYKZHQ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160227
s1c2c(CCCCC2)c(c1NC(=O)CCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC(C)C)C(=O)OC(C)C	PC-id_4056515	588.778	GNADUVSZQJVZJA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160228
s1c2c(CCCCCC2)c(c1NC(=O)CCCCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC)C(=O)OC	PC-id_4596205	588.778	QIHDLVFONUEWGA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160229
s1c2c(CCCCCC2)c(c1NC(=S)Nc1c(n(nc1C)Cc1cc(Oc2ccccc2)ccc1)C)C(=O)OCC	PC-id_19679567	588.783	VXZWQYMKDAIXMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160230
Cc1c(cccc1NC(=O)c1cc2c(s1)CCCCC2)c1cn(c(=O)c(c1)NC(=CC=C(N)N(C)CCN(C)C)C)C	PC-id_88987424	588.806	PRCFGLBITZNQSJ-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-160231
CN(CCN(/C(=C/C=C(/Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C)/N)C)C	SCHEMBL12956136	588.806	PRCFGLBITZNQSJ-OOVISYKSSA-N	00000000100000111100100000000010000000000000000000000000	31-01-160232
CCOC(N1CC=C(c2c(C1=O)n(c(c2)COS(=O)(=O)C)C(OCC)[Si](C)(C)C)C(=O)OCC)[Si](C)(C)C	SCHEMBL8864095,PC-id_88377845	588.861	VIAQDMGAVAJRFJ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-160233
CCOC(=O)C1=CCN(C(=O)c2c1cc(n2COCC[Si](C)(C)C)COS(=O)(=O)C)COCC[Si](C)(C)C	PC-id_141572769	588.861	LXMKAPDFSKBLSX-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-160234
CCOC(=O)C(C1=CCN(C(=O)c2c1ccn2COCC[Si](C)(C)C)COCC[Si](C)(C)C)OS(=O)(=O)C	SCHEMBL8864092,PC-id_10984781	588.861	PGQVTURXGIKQFE-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-160235
CC(N1CCCc2c(C1)sc(n2)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(s1)Cl)C(=O)OC(C)(C)C)C	PC-id_140161774	589.169	IBSIJELXBWTHNW-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-160236
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cc1C)C	PC-id_19634758	589.169	OTYWRTUPSAQFLY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160237
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)C)cc1)C	PC-id_19641360	589.169	NSPLXBYEBHBTAJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160238
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)C)cc1)C	PC-id_20122510	589.169	RGJQCZUTGVQEAX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160239
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)C)cc1C)C	PC-id_19641643	589.169	WBUOTVXICCTUEM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160240
Clc1c(cc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)cc1C)C	PC-id_19634709	589.169	OOSKKSPXVWSBMT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160241
Clc1cc(c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)C)cc1)C	PC-id_17302540	589.169	RBCRECXTQARNIF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160242
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)C)cc1)C	PC-id_19641279	589.169	ZBRMDDYSAPHRDL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160243
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cc1)C	PC-id_20123452	589.169	KPPUCIJNCYCORF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160244
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)C)cc(cc1)C	PC-id_17305806	589.169	ZAAJZVBMJIDXSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160245
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)C)cc(cc1)C	PC-id_19635330	589.169	OPVOZRGCPWRFOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160246
CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2c1ccs2)C(=O)N1CCC[N@H+](CC1)C	GD-id_ZINC28379610	589.169	QPZRQOXEDOMSOS-RDGATRHJSA-O	00000010100000110101000000000010000000000000000000000000	31-01-160247
C/C=C(C)/C=C(C)/CC(=O)C(C)C(C(C1C/C=CC=CC(CC(C(C2=NC(=CS2)/C=C(/C(=O)O1)C)CO)O)O)O)O	PC-id_163867228	589.271	PHRPEPOASFWQOT-MWFTZSDVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160248
CCC1(CC)CN(C)CCN1C(=O)c1nn2c(c1)CN(CCC2)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_140700466	589.573	QPUNFHGAVHQSSQ-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160249
FC(F)(F)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NCCn2nnc(CNCCCC1)c2)CCCCN)CCCN=C(N)N	PC-id_73214133	589.657	VJGILTXSRNXTFX-FHWLQOOXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160250
Brc1n(c2c(c1CO)C(=CCN(C2=O)COCC[Si](C)(C)C)C(=O)OCC)COCC[Si](C)(C)C	SCHEMBL7835922,PC-id_70202748	589.667	DQLUJUVZLXEUPK-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-160251
Brc1n(c2c(C(=CCN(C2=O)COCC[Si](C)(C)C)C(OCC)(O)C=O)c1)COCC[Si](C)(C)C	PC-id_57234191,SCHEMBL8863542	589.667	ULEDPRGSTQXNRZ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-160252
Brc1n(c2c(C(=CCN(C2=O)COCC[Si](C)(C)C)C(O)C(=O)OCC)c1)COCC[Si](C)(C)C	SCHEMBL7835920,PC-id_11146350	589.667	ACRZEPYKJDTXME-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-160253
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1ccccn1	EMOLS-id_317492107,PC-id_137338120,MCULE-4518550950,ZINC22_1772703457	589.685	LLHHKEIDADDWCQ-LPPUWEFUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160254
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1cccnc1	PC-id_137344730,ZINC22_1772714515,MCULE-3024471245,EMOLS-id_317519273	589.685	USDGADRGRIPCAG-LPPUWEFUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160255
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC#C)ccc(OC)c2)C(=O)OC	PC-id_4390717	589.703	PGWWXLBJACXMBA-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160256
O(C1CC(CCc2occ(n2)C(=CC(O)C(C=CC(=O)OC(C1O)C=C(CC=CCC(O)(C)C(=O)OC)C)C)C)C)C	PC-id_73238878	589.717	ZUIUBLKPISJNRR-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160257
O([C@H]1CC(CCc2occ(n2)/C(=C/[C@H](O)[C@H](/C=C/C(=O)O[C@H]([C@@H]1O)/C=C(/CC=CC[C@@](O)(C)C(=O)OC)C)C)/C)C)C	PC-id_16087497	589.717	ZUIUBLKPISJNRR-IPAJWLBTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160258
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3cccnc3N)CCCNC(=O)Cn1nc(C)n2	ZINC22_1772705921,PC-id_137337665,EMOLS-id_317479552,MCULE-9743691995	589.732	WURKUMPQGDBGIC-NAKRPHOHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160259
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3ccnc(C)n3)CCCNC(=O)Cn1nc(C)n2	PC-id_137342613,ZINC22_1772714490,EMOLS-id_317515690,MCULE-3240045499	589.732	SUGVAFYYCRBRQQ-UHSQPCAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160260
Fc1c(cccc1c1cn(C)c(=O)c(c1)Nc1ccc(cn1)N1CCSCC1)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL12120953,PC-id_70668607	589.746	VBDRMEBRJBYODL-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-160261
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1C)ccc(c2)C(=O)OCC)C(=O)OCC	PC-id_3679105	589.747	XGPFKSWXULYSLX-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160262
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc(c2)C(=O)OCC)C(=O)OC	PC-id_4091045	589.747	RPLWWBPZILYRCQ-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160263
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc(c2)C(=O)OC)C(=O)OCC	PC-id_4656860	589.747	LEQFZKPGKHXWEN-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160264
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OC)ccc(c2)C)C(=O)OCC	PC-id_5087004	589.747	PFTFMULHTFJWPR-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160265
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)ccc(c2)C)C(=O)OC	PC-id_3552019	589.747	WSFYHVBMWHNDQK-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160266
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)cccc2)C(=O)OCC	PC-id_4299094	589.747	DMLYMJKWDGISAA-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160267
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC=C)ccc(c2)C)C(=O)OCC	PC-id_3369855	589.747	MGAMCKPZEMOABH-ORIPQNMZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160268
C/C=CC=C/CC1C=Cc2c(C=C1)oc(c2C)C(=O)NC/C=CC(=NC)N(CCCCOC(C(=C)C(=O)O)CC=C)CC	PC-id_144152396	589.765	LEQDNUDKAYPSEF-ZAPFECRCSA-N	00000000100000000110000000000010000000000000000000000000	31-01-160269
c1(NC(=O)CSc2c3ccccc3n(CCNC(=O)c3ccc(cc3)C)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-9082940506,EMOLS-id_5440319,ZINC22_97963745,CoCoCo_4983554,PC-id_3285478	589.768	ALODWOUCMWRJRN-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-160270
c1(NC(=O)CSc2c3ccccc3n(CCNC(=O)c3ccccc3C)c2)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_97963742,CoCoCo_4983532,MCULE-2915046018,PC-id_4187125,EMOLS-id_5440275	589.768	IOGOKPRXWKJTQJ-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-160271
CN1CCN(CC1)CCCCn1ccc2c1CCCCN2C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	PC-id_139710007	589.77	UHDNDHJUAQNCLA-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-160272
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOCC)ccc(c2)C)C(=O)OCC	PC-id_4367994	589.79	YNSSSYGBNWWBDD-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160273
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccs3)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22701252,MCULE-8746214807,PC-id_4129797	589.793	LCVLFJWXZGEDRH-UHFFFAOYSA-N	00000000100100000101000000000010000000000000000000000000	31-01-160274
CCCCn1c(nnc1CNC(=O)c1cccs1)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2)C	CoCoCo_2662240,PC-id_98229438	589.793	LCVLFJWXZGEDRH-KRWDZBQOSA-N	00000000100100000101000000000010000000000000000000000000	31-01-160275
CCCCn1c(nnc1CNC(=O)c1cccs1)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2)C	PC-id_98229439,CoCoCo_2662239	589.793	LCVLFJWXZGEDRH-QGZVFWFLSA-N	00000000100100000101000000000010000000000000000000000000	31-01-160276
CCOC(=O)C=Cc1c2-c(c(ccc(c2)C(C)C)C)c(c1)C=Cc1cc(c2-c1c(ccc(c2)C(C)C)C)C=[N+](C(C)(C)C)[O-]	PC-id_88955515	589.806	QKEFRCVWCSDEII-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-160277
CCOC(=O)/C=C/c1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(C)(C)C)[O-]	SCHEMBL12743792	589.806	QKEFRCVWCSDEII-SWZXGRLMSA-N	00000010100000000110000000000010000000000000000000000000	31-01-160278
Cc1cc(c(cc1)C)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(c(c(c1)Br)O)Br	PC-id_137023081	590.37	CGFNHAPUXIPADZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160279
Cc1c(c(ccc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(c(c(c1)Br)O)Br)C	PC-id_137023134	590.37	KALWMLVQMUBYTC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160280
Cc1c(cc(cc1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(c(c(c1)Br)O)Br)C	PC-id_137047333	590.37	UNPSIJFJPXDQMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160281
Cc1cc(cc(c1)NC(=O)c1c(sc2c1CCCCCC2)N=Cc1cc(c(c(c1)Br)O)Br)C	PC-id_137047351	590.37	VVEACDQQXATFCG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160282
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cc(Br)c(O)c(Br)c3)sc3c2CCCCCC3)c1	ZINC22_409010577	590.37	CGFNHAPUXIPADZ-IPPBACCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160283
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3cc(Br)c(O)c(Br)c3)sc3c2CCCCCC3)c1	ZINC22_409019120	590.37	VVEACDQQXATFCG-IPPBACCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160284
Cc1cccc(NC(=O)c2c(/N=C/c3cc(Br)c(O)c(Br)c3)sc3c2CCCCCC3)c1C	ZINC22_409013375	590.37	KALWMLVQMUBYTC-IPPBACCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160285
Cc1ccc(NC(=O)c2c(/N=C/c3cc(Br)c(O)c(Br)c3)sc3c2CCCCCC3)cc1C	ZINC22_409018329	590.37	UNPSIJFJPXDQMD-IPPBACCNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160286
Clc1cc(Cl)cc(c1)S(=O)(=O)c1c([nH]c(c1C)C(=O)N1CCCc2c(C1)cc(s2)S(=O)(=O)C)C(=O)N	SCHEMBL3583214,PC-id_25187243	590.52	ZACAGKRNUFJRNM-UHFFFAOYSA-N	00000000110000110100000000000010000000000000000000000000	31-01-160287
CCOC(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)Nc1ccc(cc1F)N1C[C@@H](OC1O)CNC(=O)C(F)F	PC-id_143554951	590.548	BMIQHMRQPFHUEO-WCZHWJSASA-N	00000010100000110111100000000010000000000000000000000000	31-01-160288
CCc1c(c(ccc1)CC)NC(=O)c1c2CCCC(=CN=C(C)Nc3c(cc(cc3)Br)OC)C(=C)c2nn1C	PC-id_88951296	590.554	NNWCKFSBCNMDCE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160289
COc1cc(Br)ccc1N/C(=N/C=C
/CCCc2c(C1=C)nn(c2C(=O)Nc1c(CC)cccc1CC)C)/C	SCHEMBL12698319	590.554	NNWCKFSBCNMDCE-NKFKGCMQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160290
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4CCCCCCc4c3C#N)nn2)CC=C)ccc(Cl)c1	PC-id_17302685	590.587	DNUYJWGFBIBSGS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160291
CC(=O)OC[C@H]1O[C@@H](c2cccc(c2)Cc2cc3-c(c2C(=O)C)ccccc3)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C	PC-id_58786150,SCHEMBL5272525	590.617	AVPPQGVWVOAHFX-AGLXMARUSA-N	00000010100010110110100000000010000000000000000000000000	31-01-160292
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)C)ccc1	PC-id_72423639	590.617	AVPPQGVWVOAHFX-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-160293
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(cc2)C#CC#Cc1ccc2-c(c(cc2C(=O)OCC)C(=O)OCC)cc1)CC	PC-id_11028332	590.619	LERIABWHGQCCTQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-160294
CC(=O)OC[C@H]1O[C@@H](c2cccc(c2)Cc2cc3-c(c2)ccc(cc3)C(C)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C	SCHEMBL14590125,PC-id_58786184	590.66	CFYPRLFTYJSXLZ-BBZHULIZSA-N	00000010100010110110100000000010000000000000000000000000	31-01-160295
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C)c1cc(Cc2cc3-c(c2)ccc(C(C)C)cc3)ccc1	PC-id_72423670	590.66	CFYPRLFTYJSXLZ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-160296
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)CCCO	PC-id_137340530,ZINC22_1772713828,MCULE-9796918368,EMOLS-id_317491367	590.67	TXERYLIZKVUKKN-BYXVTNLJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160297
c12cc(on1)CN(CCOC)CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1	PC-id_137340486,EMOLS-id_317461173,MCULE-5653974879,ZINC22_1772713603	590.67	MPEBMEHQJCLGGC-BYXVTNLJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160298
Cc1c([nH]c2c1C(=O)N(CCC2)CCN1CCCCC1)C=C1c2c(ccc(c2)S(=O)(=O)Cc2ccc(cc2)F)NC1=O	PC-id_87485273,SCHEMBL3144459	590.708	GKYDJUFFLQSIDG-UHFFFAOYSA-N	00000010100010110100000000001010000000000000000000000000	31-01-160299
Fc1ccc(cc1)CS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCCC1)/C(=O)N2	SCHEMBL3144446,PC-id_25130956	590.708	GKYDJUFFLQSIDG-XHPQRKPJSA-N	00000010100010110100000000001010000000000000000000000000	31-01-160300
O=C1N(c2c([nH]cc2)CCC1NC(=O)CC(NCC(O)CO)(C)C)Cc1ccc(cc1)c1c(CNC(=O)NC)cccc1	PC-id_19067064	590.713	NQOWZCXHGYYTRO-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-160301
O=C1N(c2c([nH]cc2)CC[C@H]1NC(=O)CC(NC[C@H](O)CO)(C)C)Cc1ccc(cc1)c1c(CNC(=O)NC)cccc1	PC-id_22870090,SCHEMBL9241039	590.713	NQOWZCXHGYYTRO-RPLLCQBOSA-N	00000000100000110100100000000010000000000000000000000000	31-01-160302
OC(CC(C(N)C(=O)NC1CCc2[nH]ccc2N(C1=O)Cc1ccc(cc1)c1c(CNC(=O)NC)cccc1)(C)C)CO	PC-id_77342099	590.713	PDIRROSIOBDPFE-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-160303
OC[C@H](CC(C(C(=O)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1CNC(=O)NC)cc[nH]2)N)(C)C)O	SCHEMBL8909786,PC-id_67723508	590.713	PDIRROSIOBDPFE-YRVHRZEMSA-N	00000000100000110100100000000010000000000000000000000000	31-01-160304
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cccn1C	EMOLS-id_317518245,PC-id_137342157,ZINC22_1772714555,MCULE-6711236705	590.716	WXJDMWNCZWBVQY-YWEHKCAJSA-N	00000000110000110101000000000010000000000000000000000000	31-01-160305
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3cnc(nc3)N)CCCNC(=O)Cn1nc(C)n2	EMOLS-id_317492640,PC-id_137343866,MCULE-5751843064	590.72	SOLMZBPGSVMUAF-SQHAQQRYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160306
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2occ(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL14980404,PC-id_60152874	590.731	BKSRYAXUCGJOAQ-QUDUTUPQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160307
S(C(=O)CCCCCCC)CCC=CC1OC(=O)C(NC(=O)C(=CC)NC(=O)c2nc(oc2)CNC(=O)C1)C(C)C	PC-id_72665246	590.731	BKSRYAXUCGJOAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160308
CCCc1nc2c(n1Cc1ccc(c3ccccc3S(=O)(=O)Nc3onc(C)c3C)c(COCC)c1)C(=O)CCCC2	BindingDB_PC-id_44267860,CHEMBL429037,PC-id_44267860,SCHEMBL4771653	590.733	SITSOAKGHRDHAJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160309
CCCc1nc2c(n1Cc1ccc(c(c1)C(O)(C)C)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	SCHEMBL4766249,PC-id_69180508	590.733	PULXWVYXABCYKH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160310
CCCc1nc2c(n1Cc1ccc(c(c1)C(O)(C)C)c1ccccc1S(=O)(=O)Nc1onc(c1C)C)C(=O)CCCC2	PC-id_54400561,SCHEMBL4764933	590.733	VNDASUYASMLZQE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160311
CCOCc1cc(ccc1c1ccccc1S(=O)(=O)Nc1noc(c1C)C)Cn1c(CCC)nc2c1C(=O)CCCC2	PC-id_69192678,SCHEMBL4792554	590.733	YOIFAQIXERVQNU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160312
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc(OC)cc(OC)c2)nn1)C)C(=O)OCC	PC-id_24042933	590.735	DFKXQRWWBHUWHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160313
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc(OC)c(OC)cc2)nn1)C)C(=O)OCC	PC-id_23904088	590.735	DVRMNZMZLLNSOL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160314
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2c(OC)c(OC)ccc2)nn1)C)C(=O)OCC	PC-id_24045623	590.735	RBJABHVXRDDYRN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160315
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2sccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911187	590.776	TZVGOZAAHSJTQY-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-160316
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2sccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18911188	590.776	CTCWXFRTAZLVTB-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-160317
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CCCCC2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911847	590.796	DOXIJZRHRHJURW-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160318
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CCCCC2)ccc1)c1ccccc1)C(=O)OC	PC-id_18911848	590.796	PDNMRJPSLCLLTI-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160319
c1(NC(=O)CCSCCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)N)sc2c(CCCCCC2)c1C(=O)N	CoCoCo_6809191,GD-id_ZINC08432036,ZINC22_8432036,TIMTEC460935,MCULE-7761869863,EMOLS-id_4197982,PC-id_4642340	590.821	SVXZDBHIXRQFJG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160320
Cc1c2-c(c(cc2C=Cc2cc(c3-c2c(ccc(c3)C(C)C)C)C(=O)NC(C)(C)C)C=[N+](C(C)(C)C)[O-])cc(cc1)C(C)C	PC-id_88955518	590.837	LAUPPPVXIYSJHK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-160321
CC(c1ccc(c2-c(c1)c(cc2/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C(=O)NC(C)(C)C)/C=[N+](/C(C)(C)C)[O-])C)C	SCHEMBL12743798	590.837	LAUPPPVXIYSJHK-YCOFSPTHSA-N	00000010100000000110000000000010000000000000000000000000	31-01-160322
[O-][N+](=Cc1c2-c(c(c1)C=Cc1c3-c(c(c1)C=[N+]([O-])C(C)(C)C)cc(C(C)C)ccc3C)c(ccc(c2)C(C)C)C)C(C)(C)C	PC-id_85042446	590.837	QBIQNFANUVIOMX-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-160323
[O-][N+](=Cc1c2-c(c(c1)/C=C/c1c3-c(c(c1)/C=[N+]([O-])/C(C)(C)C)cc(C(C)C)ccc3C)c(ccc(c2)C(C)C)C)C(C)(C)C	PC-id_9808605	590.837	QBIQNFANUVIOMX-YBCGZRPQSA-N	00000010100000000110000000000010000000000000000000000000	31-01-160324
[O-][N+](=Cc1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C=[N+](C(C)(C)C)[O-])C(C)(C)C	PC-id_101179852	590.837	QBIQNFANUVIOMX-DEVBEVMXSA-N	00000010100000000110000000000010000000000000000000000000	31-01-160325
[O-]/[N+](=Cc1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(C)(C)C)[O-])/C(C)(C)C	SCHEMBL12743789	590.837	QBIQNFANUVIOMX-ZIEVPMGXSA-N	00000010100000000110000000000010000000000000000000000000	31-01-160326
[Sb](c1c(Cl)c2-c(c1Cl)ccccc2)(c1c(Cl)c2-c(c1Cl)ccccc2)c1ccccc1	PC-id_86021054	590.969	GBQXMNWYRQOPBJ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160327
S1/C(=C(C(=C2SC3=C(S2)SCCCS3)c2ccccc2)/c2ccccc2)/SC2=C1SCCCS2	PC-id_59092819	590.973	ZCZQVPIYTZQJDG-UHFFFAOYSA-N	00000011000000110111000000000010000000000000000000000000	31-01-160328
Clc1c(sc2c1ccc([N+](=O)[O-])c2)C(=O)N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_22196803	591.099	OUTOAEDQDMNVFJ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-160329
CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3c(s2)CCN(C(=O)C2CCOCC2)CC3)ncc1Cl	CHEMBL3330859,PC-id_118713258,BindingDB_PC-id_118713258	591.145	KFQHVOVHLZUJNY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160330
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)C)cc1C)C	PC-id_19641608	591.185	WEYLYTSNMQYHOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160331
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)C)cc1C)C	PC-id_19641530	591.185	GBKZMRODCCUQKA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160332
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cc1)C	PC-id_20123418	591.185	BIZMQONTDBAIGO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160333
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cc1)C	PC-id_20123347	591.185	CZQWATZGUCMQBJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160334
CC1=NC(C=CC=C1C(=O)N/C(=C/C=C(C(C)CC2=NC3=C(N2)C=CCC=C3)/Cl)/C)NS(=O)(=O)C4=CC=CC=CC4	PC-id_154932115	591.207	ZZSQWYMVUSOOKM-KDGUKTHNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160335
CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C)C#CC4=CN=C(N=C4)NN5COCCN6C=C5C(=N6)C	PC-id_154640469	591.307	LSLJNFFYLBLPDO-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160336
CCC/C(=CCC/C=C/C(=C/C=C)/C=CC=C)/CC1=NC(=C2C(=CC1=C)N(C=N2)CC(=O)OCC)NC3C=CC=CC3C=N	PC-id_155119792	591.357	HGYKYUSIBZIEQD-OZCJDJEMSA-N	00000000100011000111000000000010000000000000000000000000	31-01-160337
[Sn](CCCC)(CCCC)(CCCC)c1ccc(cc1)Cn1oc2c(CCN(CC2)C(=O)OC)c1=O	PC-id_71562548	591.361	CGUHVDHZVMRJTI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160338
c1(NC(=O)c2cc(c(Br)s2)Br)sc2c(CCCCCCCCCCC2)c1C(=O)OCC	PC-id_4622251,ZINC22_97948663,TIMTEC76425,CoCoCo_6814367,EMOLS-id_4198018,MCULE-4432580029	591.419	BIXILAYNDLLVQO-UHFFFAOYSA-N	00000000100100000100000000000010000000000000000000000000	31-01-160339
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC(=O)c1ccccc1)Nc1c(cc(cc1)I)F)C	PC-id_90784629	591.436	VEUBAYACXKSNPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160340
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NC1CCS(=O)(=O)C1)Nc1c(cc(cc1)I)F)C	PC-id_90940743	591.458	JPXWCUFBHBUXAA-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-160341
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)cc1	PC-id_21166766	591.54	BTSUESLLJPEKDV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160342
Clc1c(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)ccc(Cl)c1	PC-id_18909240	591.569	ITXAFULKNZMIIE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160343
Clc1c(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)ccc(Cl)c1	PC-id_18909305	591.569	ZKZFRWHGUJVFHI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160344
Clc1c(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)ccc(Cl)c1	PC-id_18909241	591.569	GCIFLNSHSDWEEC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160345
Clc1c(C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)ccc(Cl)c1	PC-id_18909275	591.569	WNUMMHWBKJBDMF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160346
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cc(Cl)ccc3OCc3ccccc3Cl)sc3c2CCCCCC3)c1	ZINC22_408968830	591.59	BXFACRJWQRXNQE-ODNPBWNPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160347
COc1cccc(c1)C(=O)Nc1nc2CCN(Cc3ccccc3N3CCNCC3)CCc2s1.OC(=O)C(F)(F)F	CHEMBL535546	591.645	GPMBYMBKBUGTAZ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-160348
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccc[nH]1	EMOLS-id_317505708,PC-id_137345852,ZINC22_1772714370,MCULE-2942706041	591.658	NOSYJNKJIFHVHS-CTUHWIOQSA-N	00000000110000110101000000000010000000000000000000000000	31-01-160349
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1cc[nH]c1	MCULE-9518115844,ZINC22_1772705745,PC-id_137337579,EMOLS-id_317470595	591.658	PMNGYEYLCSZBSN-CTUHWIOQSA-N	00000000110000110101000000000010000000000000000000000000	31-01-160350
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_4117026	591.675	HTFFISMENSSCSL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160351
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2c(cccc2)C)cc1)C)C(=O)OCC	PC-id_4410634	591.675	PTNKFYVIUTWRAN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160352
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2ccc(cc2)C)cc1)C)C(=O)OCC	PC-id_9647925	591.675	HTFFISMENSSCSL-HNSNBQBZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160353
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2c(cccc2)C)cc1)C)C(=O)OCC	PC-id_9669322	591.675	PTNKFYVIUTWRAN-HNSNBQBZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160354
O1C(C(C)C)C(C)C=CC(=O)NCC=CC(=CC(OCOC)CC(OCOC)Cc2occ(n2)C(=O)NC(C1=O)C)C	PC-id_74001104	591.693	NKIJMAGUESLCOE-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160355
O1C(C(OCc2ccccc2)C(OCc2ccccc2)c2nocc2C1)C(OCc1ccccc1)COCc1ccccc1	PC-id_72981742	591.693	BLNBZPDGWOSVMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160356
O1[C@H](C(C)C)[C@H](C)/C=C/C(=O)NCC=CC(=C[C@@H](OCOC)C[C@@H](OCOC)Cc2occ(n2)C(=O)N[C@@H](C1=O)C)C	PC-id_10555415	591.693	NKIJMAGUESLCOE-UKOCHDPDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160357
O1[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=CC(=C[C@@H](OCOC)C[C@@H](OCOC)Cc2occ(n2)C(=O)N[C@@H](C1=O)C)C	PC-id_22836920	591.693	NKIJMAGUESLCOE-ZTCQUFLUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160358
O1[C@@H]([C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)c2nocc2C1)[C@H](OCc1ccccc1)COCc1ccccc1	PC-id_11490239	591.693	BLNBZPDGWOSVMD-NSWFQPGNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160359
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC#C)ccc(F)c2)C(=O)OCC	PC-id_4279739	591.695	HPCKJUNTLVCKHA-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160360
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OC)ccc(OC)c2)C(=O)OC	PC-id_4621796	591.719	GOYCMRZSWKUQRP-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160361
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC=C)ccc(OC)c2)C(=O)OC	PC-id_3275919	591.719	ONQKGCBIKNBTEV-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160362
s1c2c(CCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2nc(OC)nc(OC)c2)cc1)C(=O)OCC	PC-id_20167254	591.723	ZDEGYUGSOVGLLE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160363
s1c2c(CCCCCC2)c(c1NC(=S)Nc1ccc(S(=O)(=O)Nc2nc(OC)nc(OC)c2)cc1)C(=O)OC	PC-id_20167247	591.723	YUWSOQQIGSRQIB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160364
CC(C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)n2nnc(C[C@H](NC(=O)[C@@H](NC1=O)CC(C)C)C(=O)O)c2)C	PC-id_101448947	591.743	LXFANCJEDGTOHU-LSBAASHUSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160365
CCC(CC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cn2cc1nn2)CCCCCC(=O)CC)Cc1c[nH]c2c1cccc2)C	SCHEMBL19479809	591.744	QQMLTCYCHXHRKR-QFIULHBOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-160366
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOCC)ccc(OC)c2)C(=O)OC	PC-id_4219083	591.762	AZABWHMITLQRJK-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160367
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOC)ccc(OC)c2)C(=O)OCC	PC-id_5044126	591.762	NATSKWHDZVYFEM-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160368
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOC)ccc(OCC)c2)C(=O)OC	PC-id_4652405	591.762	YGQXLXJYUADNJG-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160369
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CCOC(=O)CC(CCc2nc(C1)sc2)NS(=O)=O)/C)C)C	SCHEMBL19430529	591.782	MVNDSRISAXHGDM-NFJPIJAOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160370
CCN1CCN(CC1)c1ccc(nc1)NC1CC(CCC1=O)C1CCCC(C1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_143646139	591.85	JUWNBNXEUYJFDL-UHFFFAOYSA-N	00000000100010101101100000000010000000000000000000000000	31-01-160371
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccc(cc3)Cl)n2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-8904072339,CoCoCo_2661400,PC-id_4103403,EMOLS-id_11051522	592.13	DLGHYIUFENDTBU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160372
CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3c(s2)CCN(CCN2CCOCC2)CC3)ncc1Cl	PC-id_118713259,BindingDB_PC-id_118713259,CHEMBL3330860	592.176	ZPOFMDMSFJYINK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160373
Brc1cc(CC2c3n(c(nc3CCN(C2=O)C)NC)COCc2ccccc2)cc(Br)c1OC	PC-id_73292959	592.323	OMNUFYYOBPEBAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160374
CC1(Cc2c(C(=O)[N+](C1)(CC(CO)O)C(=O)N)sc(c2C(=O)O)Nc1c(cc(cc1)I)F)C	SCHEMBL4512761,PC-id_87680295	592.4	FMOHXOZZNNFJSI-UHFFFAOYSA-O	00000000100000110100000000000010000000000000000000000000	31-01-160375
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCNc1ccccc1)Nc1c(cc(cc1)I)F)C	PC-id_90789874	592.467	MINJUJBIWMZSLL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160376
c1(ccc(c(F)c1F)C)C(=O)N1CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2noc(C1)c2	PC-id_137342223,ZINC22_1772714025,EMOLS-id_317459900,MCULE-4148125716	592.592	YPMCIPTYJRTXND-QQVJTJINSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160377
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C)C(=O)OCC	PC-id_4189035	592.62	NXKPHHUZEUEZKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160378
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C)C(=O)OCC	PC-id_9652196	592.62	NXKPHHUZEUEZKO-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160379
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1c(OC(=O)c2c([N+](=O)[O-])cccc2)cccc1)C)C(=O)OCC	PC-id_19660797	592.62	STPAADFOUGTHNG-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160380
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1c(OC(=O)c2c([N+](=O)[O-])cccc2)cccc1)C)C(=O)OCC	PC-id_73635247	592.62	STPAADFOUGTHNG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160381
COc1ccc(c(c1Cc1cc2-c(c1C(=O)OC)ccccc2)C)[C@H]1C[C@@H](OC(=O)C)[C@@H]([C@H](O1)COC(=O)C)OC(=O)C	PC-id_142858204	592.633	LLQBSFVLQHKQBH-NLLMHJBRSA-N	00000010100010110110100000000010000000000000000000000000	31-01-160382
CCOC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCN(Cc1ccccc1)C=C(C2)S(=O)(=O)c1ccc(cc1)C	PC-id_102478461	592.65	QVFBTAYZMOCBCC-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-160383
Cc1c([nH]c2c1C(=O)N(CCC2)CCN1CCOCC1)C=C1c2c(ccc(c2)S(=O)(=O)Cc2ccc(cc2)F)NC1=O	PC-id_87485215,SCHEMBL3143916	592.681	RDEXUYVVDSUHMV-UHFFFAOYSA-N	00000010100010110101000000001010000000000000000000000000	31-01-160384
Fc1ccc(cc1)CS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCOCC1)/C(=O)N2	SCHEMBL3143907,PC-id_25131279	592.681	RDEXUYVVDSUHMV-BWAHOGKJSA-N	00000010100010110101000000001010000000000000000000000000	31-01-160385
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cc(on1)C	MCULE-4253281661,PC-id_137335152,ZINC22_1772706808,EMOLS-id_317503097	592.689	RKWMLTLJLHIFJK-KCWPFWIISA-N	00000000100000110101000000000010000000000000000000000000	31-01-160386
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOC)ccc([N+](=O)[O-])c2)C(=O)OC	PC-id_5045503	592.707	FENOQOSBPUHYLN-RFBIWTDZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160387
Fc1ccc(cc1)CS(=O)(=O)C1CC=C2C(=C1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCCC1)/C(=O)N2	SCHEMBL13449361	592.724	DBJUWGCCOBPQNU-XHPQRKPJSA-N	00000010100011110100000000000110000000000000000000000000	31-01-160388
Oc1ccc(C(c2c3-c(c(C(c4c5-c(cc4)ccccc5)c4ccc(O)cc4)c2)ccccc3)c2c3-c(cc2)ccccc3)cc1	PC-id_85261991	592.724	VJZIUJUUJIKVRU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160389
Oc1ccc([C@H](c2c3-c(c([C@@H](c4c5-c(cc4)ccccc5)c4ccc(O)cc4)c2)ccccc3)c2c3-c(cc2)ccccc3)cc1	PC-id_10769773	592.724	VJZIUJUUJIKVRU-PIYFIQLCSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160390
Oc1ccc([C@@H](c2c3-c(c([C@@H](c4c5-c(cc4)ccccc5)c4ccc(O)cc4)c2)ccccc3)c2c3-c(cc2)ccccc3)cc1	PC-id_10817258	592.724	VJZIUJUUJIKVRU-NDOUMJCMSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160391
S(=O)(=O)(C1CC=C2NC(=O)C(=Cc3[nH]c4CCCN(CCN5CCCCC5)C(=O)c4c3C)C2=C1)Cc1ccc(F)cc1	PC-id_70905766	592.724	DBJUWGCCOBPQNU-UHFFFAOYSA-N	00000010100011110100000000000110000000000000000000000000	31-01-160392
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/C(=O)O)ccc1)c1ccccc1)C(=O)OCC	PC-id_18898193	592.726	YSENMGGFRBKSEB-ISLYRVAYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160393
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=CC(=O)O)ccc1)c1ccccc1)C(=O)OCC	PC-id_73470164	592.726	YSENMGGFRBKSEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160394
CC(C)(C)OC(=O)N[C@H]1CCc2nnc(o2)CCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC1CCCCC1)CO	PC-id_137350111	592.727	GGHACTZVDKMERX-FKBYEOEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-160395
CCCCCCCC(=O)SCCC=CC1CC(=O)NCc2nc(co2)C(=NC)OCCC(=O)NC(C(=O)O1)C(C)C	PC-id_88592287	592.747	QPOMGCTWGZKDBB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160396
CCCCCCCC(=O)SCC/C=C/C1CC(=O)NCc2occ(n2)/C(=N/C)/OCCC(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL10315730	592.747	QPOMGCTWGZKDBB-PBARNDIASA-N	00000000100000000101000000000010000000000000000000000000	31-01-160397
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2occ(n2)C(=O)NC(C(=O)NC(C(=O)O1)C(C)C)(C)C	SCHEMBL19047349	592.747	XBPNEEFWZFGHPX-RUSQXGLHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160398
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2occ(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C	PC-id_118551226,SCHEMBL17305514	592.747	XBPNEEFWZFGHPX-WCTVRXQSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160399
CCNC(=O)c1ccccc1c1ccc(cc1)CN1C(=O)[C@@H](CCc2c1ccs2)NC(=O)CC(NC[C@@H](CO)O)(C)C	PC-id_22870097,SCHEMBL8909563	592.749	IRWQDSIBDLNMMG-JYFHCDHNSA-N	00000000100000110100100000000010000000000000000000000000	31-01-160400
s1c2CCC(NC(=O)CC(NCC(O)CO)(C)C)C(=O)N(c2cc1)Cc1ccc(cc1)c1c(cccc1)C(=O)NCC	PC-id_19067039	592.749	IRWQDSIBDLNMMG-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-160401
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)C)cc1	PC-id_19637851	593.556	RSSWPUKQRWFGFI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160436
CCN(S(=O)(=O)C(=C)/C=C(/C1=Nc2c(CC)nn(c2CC(=O)N1)C)C/C(=CC)/OC)CCN(CCOC(=O)C)CC	PC-id_143461909	592.751	AZIXRLPLGXJGMA-OBZNKGTJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160402
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N/C(=CC)/C(=O)N([C@H](C(=O)O1)C)C	PC-id_60151088,SCHEMBL14980486	592.77	RXHNMRHQDAGBJA-KTGVJFFWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160403
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)CC	PC-id_60152595,SCHEMBL14980351	592.77	VKZQXILILYIEFW-XYNZDGOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160404
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(=C)C(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL14980400,PC-id_60150948	592.77	CUNKFAYJICUMMV-ZYYMGSGDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160405
S(C(=O)CCCCCCC)CCC=CC1OC(=O)C(N(C(=O)C(=CC)NC(=O)c2nc(sc2)CNC(=O)C1)C)C	PC-id_72664657	592.77	RXHNMRHQDAGBJA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160406
S(C(=O)CCCCCCC)CCC=CC1OC(=O)C(NC(=O)C(=CC)NC(=O)c2nc(sc2)CNC(=O)C1)CC	PC-id_72665167	592.77	VKZQXILILYIEFW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160407
S(C(=O)CCCCCCC)CCC=CC1OC(=O)C(NC(=O)C(=C)NC(=O)c2nc(sc2)CNC(=O)C1)C(C)C	PC-id_72664606	592.77	CUNKFAYJICUMMV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160408
s1c2c(CCCCC2)c(c1NC(=O)CCSCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C(=O)OC	PC-id_3417053	592.79	DDCLMJFACPIFNA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160409
O=C(Cc1ccccc1c1ccc(cc1C)C)Nc1ccc(cc1)C(=O)N1CCCN(c2c1ccs2)CCN1CCCC1	PC-id_141584416	592.793	XHISOQYJZSLBNV-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-160410
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CC(C)(C)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911717	592.812	RCQMEFMKFBOGLC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160411
C(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)c1ccc(cc1)C#C	PC-id_16100552	592.894	ASCSSWLLUWMDQI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160412
Brc1cc(NS(=O)(=O)c2cc(NN=C(c3n4CCCCCc4nn3)C#N)ccc2Cl)ccc1OCC	PC-id_4848483	592.896	IQBZYRXYMNWXCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160413
Brc1cc(NS(=O)(=O)c2cc(N/N=C(/c3n4CCCCCc4nn3)C#N)ccc2Cl)ccc1OCC	PC-id_6218605,CoCoCo_3693103	592.896	IQBZYRXYMNWXCY-TURZUDJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160414
CCOc1ccc(cc1Br)NS(=O)(=O)c1cc(ccc1Cl)N/N=C(c1nnc2n1CCCCC2)/C#N	CoCoCo_3693104	592.896	IQBZYRXYMNWXCY-USHMODERSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160415
CCC1=C(N=c2c(=C(C1)Oc1cc(cc(c1)NC(=O)C=C)F)c(c[nH]2)Cl)Nc1c(cc(cc1)N1CCN(CC1)C)OC	PC-id_137072263	593.091	AROHGVHEQYMZFA-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-160416
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)C)ccc(F)c1	PC-id_19641000	593.133	AXUGNMFOYNAUJL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160417
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)C)ccc(F)c1	PC-id_17266784	593.133	RZRQZRRIHISDGG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160418
Clc1c(sc2c1ccc([N+](=O)[O-])c2)C(=O)N1CCN(CC1)C(=S)Nc1sc2c(CCCCC2)c1C(=O)OC	PC-id_20180675	593.138	LHDJNUQEMRZEGY-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-160419
CC[C@@H]1CCC2=C(CC1)SC(=N2)C(=O)N[C@@H]3CN(CC[C@@H]3NC(=O)C(=O)NC4=CC(=C(C=C4)Cl)F)C(=O)COC	PC-id_149531452	593.187	ZMSBFCIMEGWQLU-MFMILTCTSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160420
C/C=C(C=C/NCN(C)[C@H](C)C[C@@H](C)O)/c1nn(c2c1CC(NC=C2)(C)OC)[Tl]	PC-id_163880204	593.246	PSNADPXFMGJLEP-RJAXBGRSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160421
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N[C@@H](C(=O)OC1C(C)C)CC3=CC=C(C=C3)O)O)/C	PC-id_155208458	593.274	LOLUJVAOFPVYLN-XQGIKZDASA-N	00000000100000110111000000000010000000000000000000000000	31-01-160422
CC(C)NC(=O)C1=C(N(CC(C2=C(NN=C12)C(F)(F)F)(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCOCC4)COC	PC-id_155203788	593.283	ISRAPSOHVZUBHM-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-160423
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC(c1ccccc1)O)Nc1c(cc(cc1)I)F)C	PC-id_91540124	593.452	VBVTVESMLDJGNT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160424
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NC(CO)c1ccccc1)Nc1c(cc(cc1)I)F)C	PC-id_91554078	593.452	ZJROZSPPSJAUSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160425
COc1cccc(c1)CNC(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I	SCHEMBL4502920,PC-id_69069689	593.452	XJPJTEBTYBPVMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160426
COc1ccccc1CNC(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I	SCHEMBL4506894,PC-id_69071545	593.452	JIYBPFHYCXUZJA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160427
C[C@H]1C/C(=C/C=CC(=O)O[C@H](/C=C(/Br)C)Cc2nc(CCC[C@@H](C(=O)O1)NC(=O)C(F)(F)F)cs2)/C	SCHEMBL18123269,PC-id_122597437	593.454	ADOCNOYHEBNGOI-FRUWJFNLSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160428
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCNc1ccccn1)Nc1c(cc(cc1)I)F)C	PC-id_91544004	593.455	BLNBHIKVSJBFRV-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-160429
Brc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC)C1CC1	PC-id_20176845	593.523	RICAINZEEIVEFE-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-160430
Brc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC)C1CC1	PC-id_20176838	593.523	IQKBANVFZGHLPC-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-160431
Brc1ccc(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)C)cc1	PC-id_19637961	593.556	PONFHGUXXOYNII-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160432
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)C)cc1	PC-id_19637924	593.556	PSHPTTJGZMULIG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160433
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)cc1	PC-id_21166728	593.556	MFIYVXQNOHGWRE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160434
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)cc1	PC-id_17270449	593.556	SVYUIMPRQITREJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160435
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccc(Cl)cc1Cl	ZINC22_408972267	593.563	OSABRXLLQRWXRO-XZYGTATASA-N	00000000100000110100000000000010000000000000000000000000	31-01-160437
CCN(C(=O)Cc1ccc2-c(c(c(c2OC(=O)OCC)N)OC(=O)OCC)cc1)OCCN1C(=O)c2ccccc2C1=O	SCHEMBL7311549,PC-id_88126291	593.581	RHISMBGSDSTYKK-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-160438
CCOC(=O)Oc1c2-c(c(c1N)OC(=O)OCC)ccc(cc2)CC(=O)N(OCCCN1C(=O)c2c(C1=O)cccc2)C	PC-id_88125343,SCHEMBL7303861	593.581	SQZBUEYFIWNLEK-UHFFFAOYSA-N	00000010100000100110000000001010000000000000000000000000	31-01-160439
COCC1=C(C(=O)NC(C)C)c2c(C(CN1C(=O)c1ccc(cc1)OCCN1CCOCC1)(C)C)[nH]nc2C(F)(F)F	SCHEMBL19659094	593.638	ZIPWQKASDPHNCT-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-160440
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2ccc(OC)cc2)cc1)C(=O)OCC	PC-id_19659396	593.647	MQRGXDRQCKUSTB-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160441
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2ccc(OC)cc2)cc1)C(=O)OCC	PC-id_73633883	593.647	MQRGXDRQCKUSTB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160442
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2cc(OC)ccc2)cc1)C(=O)OCC	PC-id_4184534	593.647	HZDPYAWMBCUOIQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160443
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2cc(OC)ccc2)cc1)C(=O)OCC	PC-id_9651902	593.647	HZDPYAWMBCUOIQ-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160444
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2c(OC)cccc2)cc1)C(=O)OCC	PC-id_5086060	593.647	GWSSDSAKXZOVAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160445
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2c(OC)cccc2)cc1)C(=O)OCC	PC-id_9607075	593.647	GWSSDSAKXZOVAR-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160446
CC1/C=C/C(=O)NC/C=C/C(=C/C(CC(=O)Cc2nc(co2)C(=O)NC(C(=O)OC1C(C)C)Cc1ccc(cc1)O)O)/C	PC-id_137477045,SCHEMBL20718270	593.667	LOLUJVAOFPVYLN-QWQPZNLSSA-N	00000000100000110111000000000010000000000000000000000000	31-01-160447
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)Cc1ccc(cc1)O)O)/C	SCHEMBL20717882,PC-id_137476768	593.667	LOLUJVAOFPVYLN-YKMBJOOBSA-N	00000000100000110111000000000010000000000000000000000000	31-01-160448
O=C1NC/C=C/C(=CC(O)CC(=O)Cc2nc(C(=O)NC(C(=O)OC(C(/C=C/1)C)C(C)C)Cc1ccc(cc1)O)co2)C	SCHEMBL20718278	593.667	LOLUJVAOFPVYLN-DOZCDRPCSA-N	00000000100000110111000000000010000000000000000000000000	31-01-160449
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cn1cnnn1	ZINC22_1772703441,MCULE-2117969665,PC-id_137336986,EMOLS-id_317496958	593.681	DVQMYFUISIYLLT-GJZUVCINSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160450
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1C)ccc(c2)C(=O)OC)C(=O)OC	PC-id_3434524	593.692	SVIVOYMGNKXTJZ-IMVLJIQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-160451
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC(=O)OC)cccc2)C(=O)OC	PC-id_3620963	593.692	SEAJGBSMLDBFFV-IMVLJIQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-160452
CN/C=C/C(=C(C=C(C(=Cc1[nH]c2c(c1C)C(=O)N(CCC2)CCN1CCOCC1)C=O)/C)/F)/NCc1ccc(cc1)F	PC-id_145511773	593.707	XYBBSKRQRZKEKP-DBISCOFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160453
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)ccc(F)c2)C(=O)OC	PC-id_4338973	593.71	WVLHJOMALBYLLT-WCTVFOPTSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160454
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OC)ccc(F)c2)C(=O)OCC	PC-id_4415627	593.71	BIIFPIIXMBQELV-WCTVFOPTSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160455
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC=C)ccc(F)c2)C(=O)OCC	PC-id_4548560	593.71	RLNMTQCWFVEARH-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160456
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2c2cccc(C)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-5793330549,EMOLS-id_22700456,PC-id_4656806,CoCoCo_2661522	593.717	JCTKJJQNASOWCM-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-160457
CCOC(=O)c1c2CCCCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1Cc1ccccc1	CoCoCo_2661506,MCULE-9424246233,EMOLS-id_11051662,PC-id_4625942	593.717	SJQOBUDKUKNYLK-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-160458
c1(NC(=O)CSc2c3ccccc3n(CCNC(=O)c3ccccc3F)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-8528772750,CoCoCo_1999864,EMOLS-id_22702516,PC-id_4102330	593.732	LNLXIRGIKDPBMM-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-160459
c1(NC(=O)CSc2c3ccccc3n(CCNC(=O)c3ccc(cc3)F)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-9974803065,EMOLS-id_22702506,CoCoCo_1999813,PC-id_4549922	593.732	GCEPJPYBXSHFAT-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-160460
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC)ccc(OC)c2)C(=O)OCC	PC-id_3268662	593.735	GHCSBGWCQVSALH-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160461
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC)ccc(OCC)c2)C(=O)OC	PC-id_3687623	593.735	VJFUGCHGYWESCY-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160462
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1C)ccc(OCC)c2)C(=O)OCC	PC-id_5198271	593.735	KIBFWYNQALTZLT-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160463
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CCOC)ccc(c2)C)C(=O)OC	PC-id_3598884	593.735	KPHKFMNESVNDKA-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160464
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CCOC)cccc2)C(=O)OCC	PC-id_4621869	593.735	BSYGPXGXIVRJAY-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160465
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CCOCC)cccc2)C(=O)OC	PC-id_4082691	593.735	OKIYJWXFOKNVRJ-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160466
OC[C@H](CNC(CC(=O)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1NC(=O)NC)ccs2)(C)C)O	PC-id_22870077,SCHEMBL8909017	593.737	ZRRTYHABNCNYNZ-WIOPSUGQSA-N	00000000100000110100100000000010000000000000000000000000	31-01-160467
s1c2CCC(NC(=O)CC(NCC(O)CO)(C)C)C(=O)N(c2cc1)Cc1ccc(cc1)c1c(NC(=O)NC)cccc1	PC-id_19067044	593.737	ZRRTYHABNCNYNZ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-160468
C/C/1=CC=C/C=C/c2c(CCN1C(=O)c1ccc(cc1)NC(=O)c1cccnc1N1CCCC1)cc(s2)C(=O)NC1CC1	PC-id_144119780	593.738	IEFMEDIWJMWFLR-GSPUWDHTSA-N	00100010100000111110100000000010000000000000000000000000	31-01-160469
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOCC)ccc(F)c2)C(=O)OCC	PC-id_4180927	593.753	JOQZEKLYIZSMRX-IKPAITLHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160470
COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1CCCC=CC2)(Nc1occ(n1)c1ccccc1)C	PC-id_142140921	593.758	PLLQODUWTHKLQS-DHUJRADRSA-N	00000000100010111111100000000010000000000000000000000000	31-01-160471
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)C1CCCCC1	PC-id_137340007,MCULE-3545068662,EMOLS-id_317491366,ZINC22_1772713849	593.76	UIVXBYIETXUKAP-UHSQPCAPSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160472
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3c(cccc3Cl)F)n2C)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4537744044,EMOLS-id_24429358,PC-id_4183819	594.121	SSYLBZPPNRXTEW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160473
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2c(F)cccc2Cl)C)sc2c1CCCCC2	PC-id_98359611,CoCoCo_2661962	594.121	SSYLBZPPNRXTEW-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160474
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2c(F)cccc2Cl)C)sc2c1CCCCC2	PC-id_98359612,CoCoCo_2661961	594.121	SSYLBZPPNRXTEW-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160475
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)CC#C	PC-id_4064831	594.123	NKZPQFMWWFDJLQ-AZPGRJICSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160476
CC(=O)NC1=NC2=C(S1)C(=O)C(=C(C3=CN=C(C=C3)N(CC4=C(C=C(C=C4)OC)OC)C(=O)OC(C)(C)C)O)CCC2	PC-id_87142478,PC-id_160553093	594.215	KAWXRDUUUQOORD-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160477
Clc1cc(CC2n3c(nnc3CN(C)C)CCN(C2=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1Cl	PC-id_10121343,SCHEMBL5230925	594.379	SUAYOYQCDBVEFF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160478
CCCCCCCCCCC1(CCCCCCCCCC)COc2c(OC1)c(sc2Br)Br	PC-id_101388196	594.526	TZBXICDTTLOURK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160479
C[C@H]1C/C(=C/C=CC(=O)O[C@H](/C=C(/Br)C)Cc2cc(CCC/C(=NC(=O)OC(C)(C)C)/C(=O)O1)cs2)/C	PC-id_145165702	594.558	WTFNCTVAQUQJDF-JTNFPJGWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160480
COC(=O)c1cc(c2-c1ccc(cc2)Oc1ccc(cc1)Oc1ccc2-c(cc1)c(cc2C(=O)OC)C(=O)OC)C(=O)OC	PC-id_101271588	594.564	VGJJUFYQZDUVIU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160481
c1(C(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c(Cl)c2c(cc(cc2)Cl)s1	CoCoCo_6827343,TIMTEC368121,PC-id_17378475,EMOLS-id_4198410,MCULE-6060931450,ZINC22_97948691	594.573	OWLAFMGPHJWQAK-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-160482
c1(C(=O)N2CCN(CC2)CC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)c(Cl)c2c(cc(cc2)Cl)s1	EMOLS-id_4198412,CoCoCo_6827531,MCULE-1693132639,PC-id_17378483,TIMTEC228276,ZINC22_97948692	594.573	IWNMWBMMBPPFSU-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-160483
COC1(OC(COC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)c1cc(ccc1O)Cc1cc2-c(c1)ccccc2	PC-id_59029780,SCHEMBL14339157	594.606	KVWRACBIJPRRNH-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-160484
COC1(O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)c1cc(ccc1O)Cc1cc2-c(c1)ccccc2	PC-id_11628582,SCHEMBL5430821	594.606	KVWRACBIJPRRNH-MDKHBBSCSA-N	00000010100010110110100000000010000000000000000000000000	31-01-160485
CO[C@]1(O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)c1cc(ccc1O)Cc1cc2-c(c1)ccccc2	PC-id_69438398,SCHEMBL5430824	594.606	KVWRACBIJPRRNH-VJLURNNQSA-N	00000010100010110110100000000010000000000000000000000000	31-01-160486
COCC1=C(C(=O)OC(C)C)c2[nH]nc(c2C(CN1C(=O)c1ccc(cc1)OCCN1CCOCC1)(C)C)C(F)(F)F	SCHEMBL19659091	594.622	VCSHEEKTNQDZNJ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-160487
NCCCC[C@@H]1NC(=O)Cn2nnc(c2)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N)CC(=O)O	PC-id_101792959	594.624	FOUINCWEPLMKBI-JYJNAYRXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160488
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCc2nnn(CC(=O)NC1CCCCN)c2	PC-id_74392726	594.624	FOUINCWEPLMKBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160489
O=C1N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)NCc2nnn(CC(=O)N[C@H]1CCCCN)c2	PC-id_25136801	594.624	FOUINCWEPLMKBI-OWCLPIDISA-N	00000000100000000101000000000010000000000000000000000000	31-01-160490
O=C(c1ccc(cc1)NC(=O)c1cccnc1C(F)(F)F)N1C/C=CC=C/C(c2c(CC1)cc(s2)C(=O)NC1CC1)C	PC-id_144119842	594.647	NFCPSRMZSWGQLY-ZUMAWFIWSA-N	00100000100000111110000000000010000000000000000000000000	31-01-160491
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)CC=C)C(=O)OCC	PC-id_17304286	594.669	VLOSLSMVCNXFFY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160492
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)COc1cc(ccc1)C(F)(F)F)CC=C)C(=O)OC	PC-id_21164470	594.669	MTLRBNRQDAAGHJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160493
CC(=O)Nc1nc2c(s1)C(=O)C(CCC2)C(=O)c1cnc(cc1)N(Cc1c(cc(cc1)OC)OC)C(=O)OC(C)(C)C	SCHEMBL1770304,PC-id_87289781	594.679	KFFBQOJBWSMTGP-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160494
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC)ccc([N+](=O)[O-])c2)C(=O)OC	PC-id_4245560	594.68	CTXGGSLLHWOOPQ-SHHOIMCASA-N	00000000100000100101000001000010000000000000000000000000	31-01-160495
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1C)ccc([N+](=O)[O-])c2)C(=O)OCC	PC-id_4228910	594.68	NOPGNPNOYPRWRG-SHHOIMCASA-N	00000000100000100101000001000010000000000000000000000000	31-01-160496
Cc1c([nH]c2c1C(=O)N(CCC2)CCN1CCOCC1)C=Cc1c(ccc(c1)S(=O)(=O)Cc1ccc(cc1)F)NC=O	PC-id_89099137	594.697	JKFJFUBDKVBNTB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160497
Fc1ccc(cc1)CS(=O)(=O)C1CC=C2C(=C1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCOCC1)/C(=O)N2	SCHEMBL14233911	594.697	MVJHWZZNFBDVFF-BWAHOGKJSA-N	00000010100011110101000000000110000000000000000000000000	31-01-160498
O=CNc1ccc(cc1/C=C/c1[nH]c2c(c1C)C(=O)N(CCC2)CCN1CCOCC1)S(=O)(=O)Cc1ccc(cc1)F	SCHEMBL13480220	594.697	JKFJFUBDKVBNTB-UXBLZVDNSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160499
S(=O)(=O)(C1CC=C2NC(=O)C(=Cc3[nH]c4CCCN(CCN5CCOCC5)C(=O)c4c3C)C2=C1)Cc1ccc(F)cc1	PC-id_71109575	594.697	MVJHWZZNFBDVFF-UHFFFAOYSA-N	00000010100011110101000000000110000000000000000000000000	31-01-160500
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)[C@H]1CCC(=O)N1	ZINC22_1772714522,EMOLS-id_317509032,PC-id_137343715,MCULE-7535174683	594.705	VJHNIHKLMSXCPS-NOTUOJBMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-160501
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)[C@@H]1CCC(=O)N1	ZINC22_1772714523,MCULE-4893407978,EMOLS-id_317509539,PC-id_137340792	594.705	VJHNIHKLMSXCPS-OBTVHEKISA-N	00000010100000110101000000000010000000000000000000000000	31-01-160502
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccns1	ZINC22_1772706138,MCULE-2039239376,PC-id_137334995,EMOLS-id_317473933	594.728	XZBWIUCUFHXLPM-GJZUVCINSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160503
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)CC)C(=O)OCC	PC-id_18897632	594.741	LTMGOWNMZIRKNO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160504
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)CCC(=O)O)ccc1)c1ccccc1)C(=O)OCC	PC-id_18898325	594.741	KZDNXZPJKTTWPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160505
c1(NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)OC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2956980703,PC-id_2956860,CoCoCo_998893,TIMTEC275772,EMOLS-id_2472088	594.766	KXEKKYPOEPZWGL-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160506
CN1CCN(CC1)CCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750516	594.766	PVZQVYNBWAUGLF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-160507
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)ccc1OCc1c(C)cc(C)cc1C	ZINC22_408973466	594.806	SNCCLVZCUUHVGL-BBUXEPKYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160508
s1c2CCCCCc2cc1C(=C)Nc1c(c(c2cc(Cc3nnc(CN4CCN(CC4)C)cc3)c(=O)n(c2)C)ccc1)C	PC-id_59557898	594.813	KAJJNLUFNGARTE-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-160509
CCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCCCC)CCCCCC	SCHEMBL9335193,PC-id_19102841	594.826	BMNOBAFUSCYKTL-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-160510
CCCCCCCc1cc2c(cc(c1=O)CCCCCCC)nc(n2Cc1ccc(cc1)c1ccccc1C(=O)O)CCC	PC-id_19822335,SCHEMBL9653557	594.826	UCWNHYVCTPDDLU-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-160511
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCc1ccncc1)Nc1c(cc(cc1)I)Cl)C	PC-id_91335187	594.895	YHWJCVWJYWATFL-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-160512
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCc1cnccc1)Nc1c(cc(cc1)I)Cl)C	PC-id_91565852	594.895	UODDGHXTMBTNND-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-160513
Clc1ccc(cc1)Cn1c(Oc2cccc(c2)OC(F)(F)F)nc2c1C(=O)N(CC1COC(O1)(C)C)CC(=O)N2C	SCHEMBL21332527,PC-id_139466895	594.967	TUKFTTGLKHJEIN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-160514
Clc1ccc(OCC(=O)Nc2sc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)nn2)cc1	PC-id_24152555	595.154	PLLUELZOFHFLQH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160515
CC(C)[C@H]1C(=O)OC(CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N1)(C)C)/C=C/CCSC(=O)C(C)(C)N(C)C	PC-id_163649384	595.25	IKYPJQDKAPVPMD-LPSLKLHISA-N	00000000100000000101000000000010000000000000000000000000	31-01-160516
CC1=NN2CCN(CCCC(=O)N[C@H](C(=O)N[C@@H](C2=N1)C(C)C)CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N	PC-id_165428207	595.258	VGMGKYUPNDWZAH-AZGAKELHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160517
COC(=O)c1c2CCC(Br)C(CCc2c(n1CCCO[Si](C(C)(C)C)(C)C)C(=O)OC)Br	PC-id_145140353	595.437	BCTVCPBJDZICLX-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160518
Cc1cc(nn1CCNC(=O)c1c(sc2c1CC(CNC2=O)(C)C)Nc1c(cc(cc1)I)F)C	PC-id_90944653	595.471	SCLBKXQQWXMOID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160519
O=C(OC(C)(C)C)N[C@@H]1CCc2csc(n2)C[C@@H](/C=C(/Br)C)OC(=O)C#C/C=C(/C[C@@H](OC(=O)C1)C)C	SCHEMBL19430167	595.546	JBOVFNGYTROLMN-KNRZKYJKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160520
O=C(OC(C)(C)C)N[C@H]1CCCc2csc(n2)C[C@@H](/C=C(/Br)C)OC(=O)C#C/C=C(/C[C@@H](OC1=O)C)C	PC-id_122597424,SCHEMBL18123251	595.546	BQXNFTQWYYUFLT-VQMBKHKOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160521
O=C(OC(C)(C)C)N[C@@H]1CCCc2csc(n2)C[C@@H](/C=C(/Br)C)OC(=O)C#C/C=C(/C[C@@H](OC1=O)C)C	PC-id_122597445,SCHEMBL18123277	595.546	BQXNFTQWYYUFLT-KQCMTVAYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160522
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)ccc(Cl)c1	PC-id_19633254	595.561	MOFPLLQJLPMXOG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160523
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cc(Cl)cc1	PC-id_21167176	595.561	ZQOJVUKLLIUBRT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160524
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)C)ccc(Cl)c1	PC-id_17269565	595.561	ZFNIKIZAVQLTFO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160525
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)C)cc(Cl)cc1	PC-id_17254908	595.561	WFEBVBAYVXHDRH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160526
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)ccc(Cl)c1	PC-id_17305275	595.561	CUDVONPRVXUGBP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160527
Clc1c(OCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)cc(Cl)cc1	PC-id_21167098	595.561	GSHQCOOSRVWVNY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160528
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCc2nnn(CC(=O)NC1CCC(=O)O)c2	PC-id_74392734	595.566	XCEAXBIUXREYHQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160529
O=C1N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)NCc2nnn(CC(=O)N[C@H]1CCC(=O)O)c2	PC-id_25136809	595.566	XCEAXBIUXREYHQ-HZSPNIEDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160530
O=C1Nc2c(/C/1=C/c1[nH]c3c(c1C)C(=O)N(CCC3)CCN1CCCC1)cc(cc2)SCc1c(Cl)cccc1Cl	PC-id_145511790	595.582	QYWQHWWKTHAHEL-XLNRJJMWSA-N	00000010100000110100000000001010000000000000000000000000	31-01-160531
c1(ccc(C)n1C(F)F)C(=O)N1CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2noc(C1)c2	ZINC22_1772713143,PC-id_137344089,EMOLS-id_317491105,MCULE-7110404235	595.596	GAUAOTKNAUVODU-VZJWBNGJSA-N	00000000110000000101000000000010000000000000000000000000	31-01-160532
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4338559,CoCoCo_2661762,MCULE-9176008647,EMOLS-id_22700852	595.657	MRGUOPDHSDTHCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160533
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1cscn1	EMOLS-id_317503907,PC-id_137345080,ZINC22_1772713359,MCULE-9785108401	595.713	KIEVOYHKROPQFM-CTUHWIOQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160534
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1sccn1	EMOLS-id_317465462,ZINC22_1772700574,MCULE-5612689292,PC-id_137335961	595.713	GWAOSNMTPWYLDR-UEVCKROQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160535
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)CC)C(=O)OCC	PC-id_18910760	595.73	YHFQUUKCJASVAZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160536
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)CC)C(=O)OCC	PC-id_18910628	595.73	USRBKMSFOOEHAC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160537
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)C1CCOCC1	ZINC22_1772702400,PC-id_137336154,MCULE-7813827530,EMOLS-id_317492616	595.733	GJZLWXISDSYAOA-NAKRPHOHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160538
COc1cccc(c1)c1nc(SCCCCCn2cnc3c2CCC=CNC3=NCC2=CC=CCC2C)[nH]c(=O)c1C#N	PC-id_143201721	595.758	MTVHLGQRPQACNP-UHFFFAOYSA-N	00000000100011110111100000000010000000000000000000000000	31-01-160539
CCCN(CCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2)C	PC-id_141866469	595.794	VTAUVACSESNXIZ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-160540
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)CC)C(=O)OC	PC-id_19317931	595.796	ICJPULRZTOYURY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160541
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)C)C(=O)OCC	PC-id_19317866	595.796	IOOOLXVCXCFLGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160542
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)C)C(=O)OC	PC-id_19317867	595.796	SSKBECOIMUYWJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160543
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)C(=O)OCC	PC-id_19317901	595.796	RUHJSVLRKRZNML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160544
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)CC)C(=O)OCC	PC-id_19317609	595.839	WARVCRSJOYLVQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160545
Ic1c2n(CCCCC2CCOC(=O)C(Cl)(Cl)Cl)c(c1)C(=O)C(Cl)(Cl)Cl	PC-id_76022459	595.899	HLWGKDIUUJEWEJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160546
Ic1c2n(CCCC[C@@H]2CCOC(=O)C(Cl)(Cl)Cl)c(c1)C(=O)C(Cl)(Cl)Cl	PC-id_53359250	595.899	HLWGKDIUUJEWEJ-MRVPVSSYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160547
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)n(c2cc1)CC(=O)OC	PC-id_4416133	596.138	AQSOAKHAJWCAKD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160548
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)CC=C	PC-id_4169277	596.138	NMARPLAWWUVQMH-AZPGRJICSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160549
Clc1c(CNC(=O)N2C(CC(OC)C2)C(=O)N(Cc2ncccc2)C)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_17953987	596.14	INDDKPYGJWYUIY-UHFFFAOYSA-N	00000010100000111100000000000010000000000000000000000000	31-01-160550
Clc1c(CNC(=O)N2C(CC(OC)C2)C(=O)NCCc2ncccc2)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_75010520	596.14	XDUDPLJFZCFHHJ-UHFFFAOYSA-N	00000010100000111100000000000010000000000000000000000000	31-01-160551
Clc1c(CNC(=O)N2[C@@H](C[C@@H](OC)C2)C(=O)N(Cc2ncccc2)C)ccc(C(=O)N2CCCCc3sccc23)c1	SCHEMBL5430909,PC-id_10188817	596.14	INDDKPYGJWYUIY-BVAGGSTKSA-N	00000010100000111100000000000010000000000000000000000000	31-01-160552
Clc1c(CNC(=O)N2[C@@H](CC(OC)C2)C(=O)N(Cc2ncccc2)C)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_69710016,SCHEMBL6221670	596.14	INDDKPYGJWYUIY-NASUQTAISA-N	00000010100000111100000000000010000000000000000000000000	31-01-160553
CO[C@@H]1C[C@@H](C(=O)NCCc2ccccn2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc34)cc2Cl)C1	BindingDB_PC-id_44393941,CHEMBL445393,PC-id_44393941	596.14	XDUDPLJFZCFHHJ-BVAGGSTKSA-N	00000010100000111100000000000010000000000000000000000000	31-01-160554
C[C@H]1CN(CC[C@H]1CC(=O)O)C(=O)C2=C(C(=C(C=C2)Cl)C(=O)C3=CC4=C(N3C)CCC=C(C=C4C)C(F)(F)F)Cl	PC-id_148797022,PC-id_145206338	596.146	ONHCVMSNCNVZQH-IRXDYDNUSA-N	00000000100010110110000000000010000000000000000000000000	31-01-160555
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)CCOC	PC-id_4605765	596.182	WEBXTZGIDXHDCT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160556
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)n(c2cc1)CCOCC	PC-id_4324725	596.182	GOJZVFFAGKQNMJ-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160557
CCC/C(=C/CC1(CC1)C(=C)S(=O)(=O)/C(=CCC2CCN(C2)S(=O)(=O)CCCC#N)/C)/C3=C4C=CN=C4C=CC=N3	PC-id_149304874	596.249	WLYBAXNPNSBLPO-NJXIOZOXSA-N	00100010100000000110000000000010000000000000000000000000	31-01-160558
CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)CCCCC3)C4=CN(C(=O)C(=C4)CC5=NC=C(C=C5)N6CCC(CC6)(C)O)C	PC-id_162285443	596.282	FUDZFAYOATXPAE-UHFFFAOYSA-N	00000000100010111100100000000010000000000000000000000000	31-01-160559
CC(C)OC(C1=C(N(CC(C2=C(NN=C12)C(F)(F)F)(C)C)C(=O)C3=CC=C(C=C3)OCCN4CCOCC4)COC)O	PC-id_155203790	596.282	PQDBRCFTHQXDFO-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-160560
CN1c2c(CC(C(C1=O)I)CN1c3c(CCC(C1=O)N=[N+]=[N-])sc(c3)Cl)sc(c2)Cl	PC-id_134201738,SCHEMBL19805523	596.292	SPHVGVGVFNGUDT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160561
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3Cl)Cl)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3467466,EMOLS-id_22699838,MCULE-7577384676,CoCoCo_2661141	596.549	FLSAFESLEVTFAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160562
Brc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)C	PC-id_5216079	596.58	GXDRCRSTNVFXLN-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160563
Brc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)n(c2cc1)CC	PC-id_4451563	596.58	BJORVVBFQZJUBS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160564
Clc1c(sc2c1ccc(Cl)c2)C(=O)N1CCN(CC1)C(=S)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_20180594	596.612	JYPWZAJIJAUEFC-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-160565
Clc1c(sc2c1ccc(Cl)c2)C(=O)N1CCN(CC1)C(=S)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_20180587	596.612	QFGKFMDJEOZTGC-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-160566
O(C(=O)c1c2-c(c(c1N)C(=O)OCC)ccc(cc2)C#Cc1ccc2-c(c(c(N)c2C(=O)OCC)C(=O)OCC)cc1)CC	PC-id_23567960	596.626	FDURXERQPXOJOH-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-160567
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1cccc2C(=O)CCc12	MCULE-8671654558,PC-id_137342488,EMOLS-id_317487022,ZINC22_1772713868	596.632	VBOYDQWNBDCGFJ-UYADZXDASA-N	00000010100000100101000000001010000000000000000000000000	31-01-160568
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)Oc1ccccc1)Oc1ccccc1	SCHEMBL9335199,PC-id_19102891	596.671	OUBXPUCGQGQBSJ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-160569
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)C)C(=O)OC	PC-id_18897959	596.671	MKYWDCUMFQTZBH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160570
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)C(=O)OCC	PC-id_18897993	596.671	OGRZQFWBYGKBQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160571
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)C(=O)OC	PC-id_18897994	596.671	BFFGNRKCVPQRPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160572
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)[C@H]1CCCO1	EMOLS-id_317504672,PC-id_137343240,MCULE-2611188254,ZINC22_1772714128	596.675	ZXKKLHYCBCWPSA-UTADQONYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-160573
CCOC(=O)/C(=C/C=C(/c1ccc(c(c1)F)C(=C)/C=C
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CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2C)CCCCCC3)ccc1OCc1ccc2c(c1)OCO2	ZINC22_409010221	596.736	BIQZFDJCNSTZKD-ZSNJKBEMSA-N	00000010100000110101000000001010000000000000000000000000	31-01-160575
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2)CCCCCC3)ccc1OCc1ccc2c(c1)OCO2	ZINC22_409015345	596.736	OWPMFZYOUDGYKZ-ZSNJKBEMSA-N	00000010100000110101000000001010000000000000000000000000	31-01-160576
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCCCC3)ccc1OCc1ccc2c(c1)OCO2	ZINC22_409015919	596.736	PMQVJOWYJBCSPF-ZSNJKBEMSA-N	00000010100000110101000000001010000000000000000000000000	31-01-160577
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)ccc1OCc1ccc2c(c1)OCO2	ZINC22_408968978	596.736	FDZXZRYOMCNZKO-ODNPBWNPSA-N	00000010100000110101000000001010000000000000000000000000	31-01-160578
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)CC)C(=O)OCC	PC-id_18909570	596.757	FMBZIEUAHSOODS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160579
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)CC)C(=O)OCC	PC-id_18911946	596.757	CGDSWCYXSZVNPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160580
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)CC)C(=O)OC	PC-id_18909571	596.757	GDZIQJXPEGZMOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160581
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)C)C(=O)OCC	PC-id_18909506	596.757	MIXGKIWOKTVPEZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160582
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)CC)C(=O)OC	PC-id_18911947	596.757	HFHJJDFFPUMBPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160583
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)C)C(=O)OCC	PC-id_18911882	596.757	GGHJSFLXKYXHQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160584
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18909206	596.759	KZPGPFOTNPJTEV-QZQOTICOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160585
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=Cc2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73470724	596.759	KZPGPFOTNPJTEV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160586
Cc1ccc(CNC(=O)[C@@H]2COCCCCCCCc3c(cnn3C)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N2)cc1	CHEMBL4542139	596.761	VYZYAEPKILNKBY-UIOOFZCWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160587
Cc1ccc(CNC(=O)[C@H]2NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c3nccn3CCCCCCCO[C@H]2C)cc1	CHEMBL4538960	596.761	KLUSDZKUWBUTCR-RMDSEJHCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160588
C/C=C(C=C(C1CC(C)(C)CCc2n1c(CCN1CCN(C(=O)C1)Cc1cccc(c1)OCc1ccccc1)cn2)/C=C)/F	PC-id_142091507	596.777	BDTVUFVFVWVDLB-OCDOJMCFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160589
CCN1CCN(CC1)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_24900503,SCHEMBL1321993	596.785	RWUBIRCNCMCMPF-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-160590
CN1CCCN(CC1)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_59740568,SCHEMBL1323125	596.785	IEICMOGLAXIXPL-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-160591
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC=C)C(=O)OCC	PC-id_19639697	596.804	YICGPYBEZFTFKU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160592
s1c2c(CCCCCC2)c(c1NC(=O)CSc1n(c(nn1)C(Oc1ccc(C(C)(C)C)cc1)C)CC=C)C(=O)OC	PC-id_19639618	596.804	MOZHYOIFPBMCSB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160593
C=C=CC(=O)/C(=C(C=C(C)C)/C)/CN1CCCc2c(C1=O)c(C)c(s2)[C@@H](C1CCCC(=CCC1)Cc1ccnc(c1)C)C	PC-id_145222655	596.865	KTTMQPMISMMBRK-PGGMNKBVSA-N	00000000100000101110000000000010000000000000000000000000	31-01-160594
CCC/C(=C/1NC(=C)/C=C(C)/C(=C(/CC)C(=CC(=C(C(=C(C=c/n(/c(=C1)/c(CC)c2CC)C)/C)CC)/CC)C)C)/CC)/CC	SCHEMBL21117672,PC-id_138737366	596.971	LOEXIBZYFNVZID-JASSGKRZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160595
CCC(c1cc(c(cc1)C(=O)OC(C)(C)C)N)NC(=O)N1Cc2nnc(n2CC(C1=O)Cc1c(ccc(c1)Cl)OC)C	PC-id_86672194	597.105	KGUBXWOQORLUMA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160596
CC[C@H](c1ccc(c(c1)N)C(=O)OC(C)(C)C)NC(=O)N1Cc2nnc(n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC)C	SCHEMBL12981034	597.105	KGUBXWOQORLUMA-GBXCKJPGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160597
C[N+](Cc1ccccn1)(C(=O)C1CC(CN1)OC)C(=O)NCc1c(cc(cc1)C(=O)N1CCCCc2c1ccs2)Cl	PC-id_91444990	597.148	FMYCVQOSBKLIQX-UHFFFAOYSA-O	00000010100000111100000000000010000000000000000000000000	31-01-160598
O=C(Nc1ccc(cc1)Cl)CCc1ccc(cc1NC(=O)c1sc2c(n1)CCCN(C2)C(C)C)C(=O)OC(C)(C)C	PC-id_140161524	597.168	XZQUIHUTOGRABJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160599
CCCC[C@@H](CC(=O)N1CC2=NN(C(=O)N2CC(C1=O)CC3=C(C=CC(=C3)Cl)OC)CC)C4=CC(=C(C=C4)C(=O)O)N	PC-id_148659359	597.235	NNLWOIFNNWUMPI-YMXDCFFPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160600
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O=C(OC(C)(C)C)N[C@H]1CCCc2csc(n2)C[C@@H](/C=C(/Br)C)OC(=O)/C=CC=C(C[C@@H](OC1=O)C)/C	PC-id_122597600,SCHEMBL18123442	597.561	OSPYMHRGIYDZLB-UMPQWSSGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160602
O=C(OC(C)(C)C)N[C@@H]1CCCc2csc(n2)C[C@@H](/C=C(/Br)C)OC(=O)/C=CC=C(C[C@@H](OC1=O)C)/C	SCHEMBL18123278,PC-id_122597446	597.561	OSPYMHRGIYDZLB-CNDVCIPFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160603
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)ccc(Cl)c1	PC-id_17306896	597.577	ZBBWWBPGGCMJPL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160604
Clc1c(OC(c2n(CC)c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)cc(Cl)cc1	PC-id_19638306	597.577	ZBTCAFSAULTRQE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160605
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)C)ccc(Cl)c1	PC-id_19639945	597.577	KUYHZPDNPROMLC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160606
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)C)cc(Cl)cc1	PC-id_19638383	597.577	GOUYEXBJGFTFJJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160607
Clc1c(OCCCc2n(CC)c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)ccc(Cl)c1	PC-id_20122996	597.577	SJLCZZFUTDPHSM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160608
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)C)ccc(Cl)c1	PC-id_17267326	597.577	FGUNIBZKANRDTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160609
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)C)ccc(Cl)c1	PC-id_17302637	597.577	QZXVUZYAXLIICU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160610
c1(NC(=O)CSc2c3ccccc3n(Cc3ccc(cc3)Br)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-8732385249,EMOLS-id_5439589,CoCoCo_4983015,PC-id_3613197,ZINC22_97963646	597.586	PDEOOXFSQIHPMW-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-160611
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(cc2)SCc1c(Cl)cccc1Cl)CC	PC-id_145511820	597.598	WHTGKUBICOMPBN-XLNRJJMWSA-N	00000010100000110100000000001010000000000000000000000000	31-01-160612
S(CCC1NC(=O)Cn2nnc(CNC(=O)C(NC(=O)CNC(=O)C(NC1=O)CCCN=C(N)N)CC(=O)O)c2)C	PC-id_74392723	597.648	RZGAKSAVHJUPCP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160613
S(CC[C@@H]1NC(=O)Cn2nnc(CNC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC1=O)CCCN=C(N)N)CC(=O)O)c2)C	PC-id_25136798	597.648	RZGAKSAVHJUPCP-QLFBSQMISA-N	00000000100000000101000000000010000000000000000000000000	31-01-160614
O(C(=O)c1c2-c(ccc(C(=C3c4c(C=C3)ccc(=[O+]C)cc4)c3c4-c(cc3)ccc(OC)cc4)cc2)c(c1)C(=O)OCC)CC	PC-id_11973439	597.676	MASILZGQDOXGCW-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-160615
O(C(=O)c1c2-c(ccc(/C(=C/c4c(C=C3)ccc(=[O+]C)cc4)/c3c4-c(cc3)ccc(OC)cc4)cc2)c(c1)C(=O)OCC)CC	PC-id_21551314	597.676	MASILZGQDOXGCW-FJSCPDHXSA-N	00000011100000000110000000000010000000000000000000000000	31-01-160616
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	PC-id_5253186,CoCoCo_2661497,MCULE-9638925649,EMOLS-id_22700420	597.681	WJRIGQKZLNEVRJ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-160617
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CCOC)ccc(F)c2)C(=O)OC	PC-id_4615478	597.699	ULGBTQVLTSARBM-AZPGRJICSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160618
C1CCC(CC1)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCn2cc(C[C@@H](C(=O)N1)NC(=O)OCc1ccccc1)nn2)CO	PC-id_137349205	597.706	DATPOADEZAYIPB-RNXOBYDBSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160619
C/C=CC1=C(C=C)Nc2c(CN1C(=O)c1ccc(c(c1)C)CNC(=O)N1CCN(CC1)Cc1cc(O)cc(c1)O)cnn2C	PC-id_143013704	597.707	ZFAWBYDTWBOQFC-ALCCZGGFSA-N	00000000100010110111000000000010000000000000000000000000	31-01-160620
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC22_409013430	597.724	KJCDZLTVGODBIL-JEPNHJGPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160621
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC22_409015947	597.724	PVRMXUMEQCPHAC-JEPNHJGPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160622
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC22_409015247	597.724	OKAVAFUYDRSPSR-JEPNHJGPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160623
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC22_409015925	597.724	POWDVKAKTVGINU-JEPNHJGPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160624
Cc1c(cccc1c1cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c(=O)n(c1)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_24900498,SCHEMBL1322751	597.727	KHFDFJJKINGGNY-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-160625
Cc1c(cccc1c1cc(Nc2ccc(cn2)N2CCC(CC2)(C)O)c(=O)n(c1)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_24900502,SCHEMBL1322845	597.77	ZWEBGUIJEKOZMZ-UHFFFAOYSA-N	00000000100010111100100000000010000000000000000000000000	31-01-160626
CCN1CCN(CC1)c1ccc(nn1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL12955977,PC-id_59557889	597.773	KACWZBDWQIJAMY-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-160627
CN1CCN(CC1)Cc1ccc(nn1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL12956162,PC-id_59557916	597.773	RRCPFWVCHZKDMC-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-160628
S[C@]1([C@](O)(C)C(=O)SCC)CC/C(=C/[C@@H](OCOC)/C(=N/OC)/C=C/C=Cc2nc(sc2)[C@H](NC(=O)C1)C)/C	PC-id_10875707	597.81	CIRDSVQUDPJWJZ-MPTWKORZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160629
SC1(C(O)(C)C(=O)SCC)CCC(=CC(OCOC)C(=NOC)C=CC=Cc2nc(sc2)C(NC(=O)C1)C)C	PC-id_85298442	597.81	CIRDSVQUDPJWJZ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160630
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)CC)C(=O)OCC	PC-id_19317800	597.812	YIQQMJWTBRJGGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160631
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)CC)C(=O)OC	PC-id_19317801	597.812	WBZZJVFTDSCYTM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160632
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)C)C(=O)OCC	PC-id_19317675	597.812	CUCQSWINAUSGPV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160633
CCCCCCCCC1(CCCCCCCC)COc2c(OC1)c(n(c2C(=O)OCC)Cc1ccccc1)C(=O)OCC	PC-id_10995576,SCHEMBL182752	597.825	NAFDVSDFKVHYPO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160634
CCCCCCCCC1(CCCCCCCC)COOc2c(C1)c(C(=O)OCC)n(c2C(=O)OCC)Cc1ccccc1	PC-id_22672946,SCHEMBL182751	597.825	AJNTYXMKQYXIPX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160635
Clc1ccc(C(=O)Oc2c(OC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_19659429	598.067	JSHHLRHFHJCAPK-WCMJOSRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160636
Clc1ccc(C(=O)Oc2c(OC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cc1	PC-id_73633915	598.067	JSHHLRHFHJCAPK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160637
Clc1cc(C(=O)Oc2c(OC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc1	PC-id_4401956	598.067	BIHWEAMJWRQLND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160638
Clc1cc(C(=O)Oc2c(OC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc1	PC-id_9668907	598.067	BIHWEAMJWRQLND-WCMJOSRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160639
Clc1c(C(=O)Oc2c(OC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cccc1	PC-id_4423610	598.067	OOHXYFMHOVMUNP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160640
Clc1c(C(=O)Oc2c(OC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cccc1	PC-id_9670109	598.067	OOHXYFMHOVMUNP-WCMJOSRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160641
Clc1ccc(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)cc2)cc1	PC-id_5215426	598.11	VQGOZQJMWDUYKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160642
Clc1ccc(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/C)cc2)cc1	PC-id_9612430	598.11	VQGOZQJMWDUYKC-DPNNOFEESA-N	00000000100000110100000000000010000000000000000000000000	31-01-160643
Clc1c(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)cc2)cccc1	PC-id_5045572	598.11	DOYCWHQSQAOBRN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160644
Clc1c(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/C)cc2)cccc1	PC-id_9689695	598.11	DOYCWHQSQAOBRN-DPNNOFEESA-N	00000000100000110100000000000010000000000000000000000000	31-01-160645
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/n(c2cc1)CC	PC-id_4368157	598.154	OTJHOLJFLGTLHN-AZPGRJICSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160646
Clc1c(CNC(=O)N2C(=CC=CC2)CN(C(=O)C2NCC(OC)C2)C)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_77279921	598.156	PDRYWKNXMYHLFF-UHFFFAOYSA-N	00000010100011110100000000000010000000000000000000000000	31-01-160647
Clc1c(CNC(=O)N2C(=CC=CC2)CN(C(=O)[C@H]2NC[C@H](OC)C2)C)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_67111555,SCHEMBL1661407	598.156	PDRYWKNXMYHLFF-NOZRDPDXSA-N	00000010100011110100000000000010000000000000000000000000	31-01-160648
O=C(N1CCCC1C(=O)N1CCC(CC1)N1CCCC1)NCc1ccc(cc1Cl)C(=O)N1CCCCc2c1ccs2	PC-id_142197473	598.199	SDKSGKDQSQJVDQ-UHFFFAOYSA-N	00000010100010110100100000000010000000000000000000000000	31-01-160649
CC1=C(C=CC(=C1)C2=CC(=NC=N2)NC3=NN4CCCN(CC4=C3)C(=O)OC(C)(C)C)CCC(=O)C5=CN(N=C5)C(C)(C)C	PC-id_161351397	598.338	GHHVECYJFHYISW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160650
Brc1sc(Br)c2OCC(COCC(CCCC)CC)(COCC(CCCC)CC)COc12	SCHEMBL2670181,PC-id_67490836	598.472	FRSCCZDSSYMDKY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160651
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCCN1CCCC1=O)Nc1c(cc(cc1)I)F)C	PC-id_91300597	598.472	OKNFBVHQHYQWJI-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-160652
CCCCCCCCOCC1(COCCCCCCCC)COc2c(OC1)c(sc2Br)Br	PC-id_102171898	598.472	JCICWVMXWSOQOE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160653
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC1CCC(CC1)CN)Nc1c(cc(cc1)I)F)C	PC-id_90760329	598.515	RDVBHICIMVETJX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160654
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC1CCCC(C1)CN)Nc1c(cc(cc1)I)F)C	PC-id_91272967	598.515	ZXEBIDWZGXHCRK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160655
N#Cc1ccccc1COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br	ZINC22_408973288	598.553	YDVHBEMNLJKVDX-JEPNHJGPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160656
Fc1ccccc1C(N1CCCc2c(C1)cc(s2)OC(c1ccccc1)(c1ccccc1)c1ccccc1)Br	PC-id_144014886	598.568	KALDHYBGKLTDCH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160657
Clc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc1Cl	PC-id_19678706	598.585	MCUPDNVOQZQBQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160658
Clc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)cc(Cl)c1	PC-id_19680058	598.585	DKJRLXBIQGYFKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160659
Clc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cc2)ccc1Cl	PC-id_19678699	598.585	XIJQKNOMOJKMIT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160660
Clc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OC)cc2)cc(Cl)c1	PC-id_19680051	598.585	OBEIIJNLYMYXTK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160661
c1(cc2c(cccc2)s1)C(=O)N1CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2noc(C1)c2	ZINC22_1772713814,PC-id_137342080,EMOLS-id_317499298,MCULE-9154513633	598.671	SZRQQWRCEMWEQW-IAAUVJCUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160662
O(c1ccc2-c(ccc2C(c2c3-c(cc2)ccc(OC)cc3)c2ccc3-c(cc2)c(cc3C(=O)OCC)C(=O)OCC)cc1)C	PC-id_11157680	598.684	OPDGSCHYGVHVLT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-160663
BrC1=CCCc2c(CC1)c(C(=O)OC(C)(C)C)n(c2C(=O)OC(C)(C)C)CCCO[Si](C(C)(C)C)(C)C	PC-id_145140352	598.685	WSLLTWSQSURAFC-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-160664
NC(=O)/C(=CC(=N)c1ccc(c(c1)NC(=O)c1c/c/2=C/C/C=CCC=C=c2s1)F)/Nc1ccc(cn1)N1CCC(C1)(C)O	SCHEMBL19981778	598.69	ISIYGCLHFFSSPI-XIUHIBHLSA-N	00000010100000111110100000000010000000000000000000000000	31-01-160665
O=C1C[C@@H](/C=C/CCSC(=O)C)OC(=O)Cn2nnc(c2)[C@H](NC(=O)[C@H](NC(=O)[C@H](N1)Cc1ccccc1)C)C(C)C	PC-id_122193366	598.714	XPRFOMLCEXGSPZ-RHLXARMISA-N	00000000100000110101000000000010000000000000000000000000	31-01-160666
C/C=C/1NC(=O)c2csc(n2)CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)/C=C/CCSC(=O)Cc1ccccc1	PC-id_60151227,SCHEMBL14980393	598.733	XXDAAWFZXZFAMG-KAUHQCEASA-N	00000000100000110101000000000010000000000000000000000000	31-01-160667
S(CCC=CC1OC(=O)C(NC(=O)C(=CC)NC(=O)c2nc(sc2)CNC(=O)C1)C(C)C)C(=O)Cc1ccccc1	PC-id_72664709	598.733	XXDAAWFZXZFAMG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160668
Cc1ccc(CNC(=O)[C@@H]2COCCCCCCOc3c(cnn3C)C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N2)cc1	CHEMBL4456389	598.734	UUMRRQQFYWWIJF-DQEYMECFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160669
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3cccc(c3)C#N)CCCNC(=O)Cn1nc(C)n2	PC-id_137335798,MCULE-7186310037,ZINC22_1772705020,EMOLS-id_317520758	598.738	OGWWUSXSRWNHEE-MVSFAKPFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160670
COCCN(C(=O)c1ccc(nc1)NC1=CC(=CC(C1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	SCHEMBL14270906,PC-id_71121994	598.755	FNOYIBOXEMJVSW-UHFFFAOYSA-N	00000000100011111100100000000010000000000000000000000000	31-01-160671
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)CC)C(=O)OCC	PC-id_18897896	598.773	SNXRVPGAAQQTET-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-160672
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911319	598.775	ZNBCGRKVHYATAD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160673
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(ccc2)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911451	598.775	RSELAIYEHQJJQJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160674
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(cc2)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911583	598.775	RBFIOMSAFAYUQX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160675
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)Cc2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911055	598.775	CMWBZXYOXONUFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160676
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C)ccc1)c1ccccc1)C(=O)OC	PC-id_18911320	598.775	YUXMIVQZFSQEME-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160677
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(ccc2)C)ccc1)c1ccccc1)C(=O)OC	PC-id_18911452	598.775	UZDKJFTVQVEVJV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160678
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(cc2)C)ccc1)c1ccccc1)C(=O)OC	PC-id_18911584	598.775	TUPSKPZELSCXHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160679
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)Cc2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18911056	598.775	MYKOVALCVSCUHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160680
CCCN(C)C(=O)c1cnc(cc1)NC(=CC(=CC)c1c(c(ccc1)NC(=O)c1cc2c(s1)CCCCC2)C)C(=O)CC	PC-id_89291204	598.798	JNXCHKYCJVTALW-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-160681
CCCN(C(=O)c1ccc(nc1)N/C(=C/C(=CC)/c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)/C(=O)CC)C	SCHEMBL14270891	598.798	JNXCHKYCJVTALW-RMJGBNFYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-160682
s1c(C(c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)ccc1C#C	PC-id_16100546	598.922	CNAAQIAMYVHTJB-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-160683
CCCCC(c1cc(c(cc1)C(=O)O)N)NC(=O)N1Cc2nn(c(=O)n2CC(C1=O)Cc1c(ccc(c1)Cl)OC)CC	SCHEMBL13194917,PC-id_88994526	599.078	VUFZGQURPWNYLR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160684
CCCC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N1Cc2nn(c(=O)n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC)CC	SCHEMBL12980206	599.078	VUFZGQURPWNYLR-WMZHIEFXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160685
CC(=O)[C@@H](Cc1cc(Cl)c(c(c1)C(F)(F)F)N)OCCCC1CCC(CC1)CCC1CCc2c(NC1=O)csc2	PC-id_143122273	599.148	DYKWZECYYCQWDZ-WOMWKILESA-N	00000000100010110100000000000010000000000000000000000000	31-01-160686
Clc1ccc(CC(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)CC)ccc2)cc1	PC-id_18909440	599.204	TZFKJOVABLGEOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160687
CC1=NN2CCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C2=N1)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)[C@@H](C5=CC=CC=C5)O	PC-id_165423599	599.322	GTGFFHZJTUQYQX-PKZQBKLLSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160688
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC(C)C	PC-id_4113220	599.406	YXDLRFXXOZWDGS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160689
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC	PC-id_4217452	599.406	UQGSKHWYTLVWBK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160690
C=C[C@@H]1CCC/C/1=Nc1nc2c(n1Cc1ccc(c(c1)Br)OC)C(=O)CCC(C(=O)N2CCOC(=O)C)CC	PC-id_142837518	599.516	TXXFVYCHFBGHNB-YGGZYIPWSA-N	00000010100000110101000000000010000000000000000000000000	31-01-160691
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCC(=O)OC	ZINC22_408971913	599.536	LVYBNBDUGZQQAF-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160692
CCOC(=O)COc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408972931	599.536	XBXQBSFLTIGDEY-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160693
CCN(C1=Nc2n(C)nc(c2CC=C1CN(C(=O)OC)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)CC1CCCC1	PC-id_143258763	599.611	OBGCBLILKXBCAS-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-160694
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1ccc2c(c1)ncs2	MCULE-8634933365,EMOLS-id_317493161,ZINC22_1772713123,PC-id_137342052	599.659	FCOBFLMUXQQGSI-QQVJTJINSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160695
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1ccc2c(scn2)c1	EMOLS-id_317512110,ZINC22_1772714400,MCULE-3359462393,PC-id_137342380	599.659	OSOWDGKFUGMGJX-QQVJTJINSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160696
COC[C@@H]1NC(=O)c2cnn(C)c2OCCCCCCOC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)NC1=O	CHEMBL4559176	599.675	NKJPZSWLOKLSFZ-ZUHGBKBGSA-N	00100000100000110101000000000010000000000000000000000000	31-01-160697
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)CCCCc1cccnc1	PC-id_137335788,MCULE-5430524987,EMOLS-id_317503610,ZINC22_1772707221	599.679	UDYSZTRXALJEAG-JHFSOIRNSA-N	00000000100000101101000000000010000000000000000000000000	31-01-160698
O1C(C(OC(=O)CC)C(OC(=O)CC)C(OC(=O)CCc2c3-c(c(cc3)C)cc(C(C)C)cc2)C1OC)CNC(=O)CC	PC-id_73005670	599.712	DJGBLWHKUDEIMY-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-160699
O1[C@@H]([C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H](OC(=O)CCc2c3-c(c(cc3)C)cc(C(C)C)cc2)[C@H]1OC)CNC(=O)CC	PC-id_11556191	599.712	DJGBLWHKUDEIMY-RPZFEVNFSA-N	00000010100010000110000000000010000000000000000000000000	31-01-160700
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)C	MCULE-6062203469,ZINC22_1772713469,PC-id_137339338,EMOLS-id_317502630	599.722	MRNQUHGJKWQTMU-BCDQWZCSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160701
O=C(c1cnn(c1)C(C)(C)C)NCc1ccc(cc1C)c1ncnc(c1)Nc1cc2n(n1)CCCN(C2)C(=O)OC(C)(C)C	PC-id_118155985,SCHEMBL16814195	599.726	YHSUSDQXUBQHBE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160702
C1C(=O)O[C@H](C(=O)N([C@@H](C(C)C)C(=O)N([C@@H](Cc2ccccc2)C(=O)N[C@H](c2scc(C(=O)N[C@H]1CC)n2)C)C)C)C	CMNPD12483,CHEMBL454000,SCHEMBL16431131,CHEBI:66805,UNPD102941,PC-id_636989	599.741	HTERYHQTEBIQTA-USLAZGEGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160703
[C@@H]1(CC)CC(=O)O[C@H](C(=O)N([C@@H](C(C)C)C(=O)N([C@@H](Cc2ccccc2)C(=O)N[C@H](c2scc(C(=O)N1)n2)C)C)C)C	PC-id_11974306,CMNPD15803	599.741	HTERYHQTEBIQTA-GPEMAKNGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160704
O=C1OC(C(=O)N(C)C(C(=O)N(C)C(/C(=N/C(c2nc(cs2)/C(=N/C(C1)CC)/O)C)/O)Cc1ccccc1)C(C)C)C	PC-id_22297502,CNP0195234	599.741	HTERYHQTEBIQTA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-160705
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc(c2)C(=O)OCC)C(=O)OC	PC-id_3518670	599.741	UCEXIXFOJCMSII-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160706
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc(c2)C(=O)OC)C(=O)OCC	PC-id_4121063	599.741	VGMTUUNXHGTNIC-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160707
s1c2nc(C(=O)N[C@@H](CC(=O)O[C@@H](C(=O)N([C@H](C(C)C)C(=O)N([C@H](Cc3ccccc3)C(=O)N[C@@H]2C)C)C)C)CC)c1	PC-id_22297503	599.741	HTERYHQTEBIQTA-XVVHAQABSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160708
Cc1c(cccc1NC(=O)c1cc2c(s1)CCCCC2)c1c[nH]c(=O)c(c1)N(C)c1ncc(cc1)C(=O)N(C)CCOC	PC-id_87602054	599.743	WMTOLPCPUDEWKQ-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-160709
COCCN(C(=O)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_59740616,SCHEMBL1322762	599.743	GVMGRQKUGOZXPV-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-160710
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OCCCC)n2C)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22699762,CoCoCo_2661094,PC-id_5162560,MCULE-2446778881	599.765	PRBFHEPKHXNJQO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160711
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661742,PC-id_4136029,EMOLS-id_22700818,MCULE-8694922823	599.765	KDTVQRFKKISNMU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160712
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-3497373023,PC-id_4129796,EMOLS-id_22699730,CoCoCo_2661074	599.765	NAEGVJGGHZRRGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160713
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700590,MCULE-6487207757,PC-id_3320817,CoCoCo_2661601	599.765	HBSPYHKQADEQLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160714
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-7800818016,EMOLS-id_22700240,PC-id_3686636,CoCoCo_2661379	599.765	PCKWXDPPANWUBK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160715
c1(SC(C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1C1CCCCC1	MCULE-3822790479,PC-id_5173101,EMOLS-id_11051472	599.765	QJGGBLWNQFXYCD-UHFFFAOYSA-N	00000000101010000101100000000010000000000000000000000000	31-01-160716
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_97991669,CoCoCo_2662337	599.765	QJGGBLWNQFXYCD-GOSISDBHSA-N	00000000101010000101100000000010000000000000000000000000	31-01-160717
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_97991670,CoCoCo_2662338	599.765	QJGGBLWNQFXYCD-SFHVURJKSA-N	00000000101010000101100000000010000000000000000000000000	31-01-160718
C/C=CC=C(Cn1ncc2=CCC(=CC=c12)NCc1c(/N=CN)sc2c1CCN(C2)C(=O)/C=C/CN(C(C)C)C)/C=CC	PC-id_143544990	599.832	GPYNFELLHUKPEN-JCGZLMCZSA-N	00000000100010000111000000010010000000000000000000000000	31-01-160719
CCOC(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C(C1(C#N)CCCCC1)(N(C(C)(C)C)OC1(C#N)CCCCC1)CC	PC-id_141875385	599.846	NOOMOLOSSHZGTJ-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-160720
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn(Cc2c(Cl)cccc2F)c1	PC-id_20172254	599.966	UYDOYDLCZWWETR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160721
COC(=O)C1CN(CC(=O)N1Cc1ccc(cc1)C(=N)N1CCC(CC1)C(=O)O)Sc1cc2c([nH]1)CCCC(=C2)Cl	PC-id_142132325	600.129	AJBPSDSVGSZTFM-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-160722
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NC1CCN(C1)C(=O)O)CC(CN(C2=O)C)(C)C	SCHEMBL4502252,PC-id_69069400	600.445	CSUJANCHULVKCA-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-160723
CC(C)(C)OC(=O)N1Cc2ccnn2C[C@H](C(=O)Nc2ccc(F)c(c3cn(Cc4ccc(Cl)cc4Cl)nn3)c2)C1	ZINC22_2325837205	600.471	FUQQPYJOEWGBED-GOSISDBHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160724
CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](C(=O)Nc2ccc(F)c(c3cn(Cc4ccc(Cl)cc4Cl)nn3)c2)C1	ZINC22_2325837206	600.471	FUQQPYJOEWGBED-SFHVURJKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160725
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCCN1CCOCC1)Nc1c(cc(cc1)I)F)C	PC-id_91310402	600.488	IQKRPKSJDKWSJS-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-160726
CCOC(=O)c1cc2c([nH]1)CC=CC(=C2)Oc1ccc(cc1)c1cc(c(c(=O)n1Cc1ccc(nc1C)C)C#N)C(F)(F)F	PC-id_143195223	600.587	ZHPBIDYXFBGDCT-UHFFFAOYSA-N	00000000100000111110100000000010000000000000000000000000	31-01-160727
Cc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	ZINC22_408973174	600.6	ZTVAUXUWHDQHRS-HASSKWOGSA-N	00000000100000110100000001100010000000000000000000000000	31-01-160728
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)CCCOc1ccccc1	PC-id_137338826,MCULE-1828030117,EMOLS-id_317503397,ZINC22_1772713446	600.663	MGPDPNMJYWVRIZ-JHFSOIRNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160729
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)C1CC1	EMOLS-id_317489839,MCULE-8246493699,PC-id_137345040,ZINC22_1772713501	600.665	OHZRRTYAOSBDKJ-LZYPDUGYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-160730
C[C@@H](O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCc2cn(CCNC(=O)[C@H](Cc3ccccc3)NC1=O)nn2	MCULE-5210414585,ZINC22_952856953,EMOLS-id_289964146	600.668	FETYRBUKOSNJBF-IXPOFHIQSA-N	00000000100000110101000001100010000000000000000000000000	31-01-160731
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C/C=C(C)/C	EMOLS-id_317460658,MCULE-5354736841,PC-id_137345654	600.708	ODNMFMIOUVYPAX-LBNPDIFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160732
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3538633,MCULE-3097249625,EMOLS-id_22701028	600.71	KEGVOUAPTHSMTB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160733
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])C)C)sc2c1CCCCC2	CoCoCo_2661938,PC-id_98141921	600.71	KEGVOUAPTHSMTB-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160734
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])C)C)sc2c1CCCCC2	PC-id_98141920,CoCoCo_2661937	600.71	KEGVOUAPTHSMTB-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160735
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(OC)cc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18909998	600.748	IJVCCUAAMIWXDS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160736
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)ccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18909866	600.748	RXVLLRVSUIJBTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160737
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)COc2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18910922	600.748	WLLQAJUVKGCSPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160738
CN1CCCN(CC1)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1F)NC(=O)c1cc2c(s1)CCCCC2	PC-id_59740565,SCHEMBL1321941	600.749	OTUAPJSGHDZOPX-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-160739
COCCN(C(=O)c1ccc(nc1)N/C(=C/C(=CC)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)/C(=O)C)C	PC-id_143646149	600.771	FKCROXFYKRRUQR-GRQAGKFFSA-N	00000000100000111100000000000010000000000000000000000000	31-01-160740
CCC(C(=O)Nc1ccc(cc1)CCCc1nnc2n1N=C(CC(=O)N2)C)Oc1c(cc(cc1)C(C)(C)CC)C(C)(C)CC	PC-id_136134575	600.794	VRLZQKRVOXHOOP-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-160741
s1c2CCCCCCCCCCc2nc1NC(=O)CNNC(=O)COc1c(C(=O)OCC(CCCC)CC)cccc1	PC-id_43904254	600.812	CZKCYEXUKGURTJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160742
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)NC)C(=O)NC	PC-id_43947641	600.835	SKZACKRUUTYTJB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160743
s1c2c(CCCCCC2)c(c1NC(=S)NCCCCOc1c(C(CC)(C)C)cc(C(CC)(C)C)cc1)C(=O)OCC	PC-id_19650380	600.918	UYNPSQWBNNGMIJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160744
CCCC[C@H](c1ccc(c(c1)[N+](=O)[O-])C(=O)O)NC(=O)N1Cc2n[nH]c(=O)n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC	PC-id_140225230	601.008	BLYSEPXZHOUCNG-FXAWDEMLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160745
CC[C@H](c1ccc(c(c1)[N+](=O)[O-])C(=O)O)NC(=O)N1Cc2nn(c(=O)n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC)CC	PC-id_140225238	601.008	DFAWKLUKGYGAKH-FXAWDEMLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160746
ClCc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)CCc1ccc(cc1)C(=O)OC)CCCCC2	PC-id_90377581,SCHEMBL15997200	601.155	SEZVRUQYPSVNKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160747
Clc1ccc(cc1)N(S(=O)(=O)c1ccccc1)C(=O)c1c(sc2c1CCCCC2)NS(=O)(=O)c1ccccc1	PC-id_11664391,SCHEMBL4140369	601.156	XLBLKKUYEQCARE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160748
CC(C)(C)OC(=O)N(CCC1=NC=C(C=C1)C(=O)C2CCCC3=C(C2=O)SC(=N3)NC(=O)N(C)C)C(=O)OC(C)(C)C	PC-id_152472616	601.257	XXSWJZAPCLPUDS-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-160749
COc1ccc(CCNS(=O)(=O)c2cc(C(=O)N3CCCn4cc(Br)cc4C3)c(Cl)cc2Cl)cc1	ZINC22_2325833700	601.34	QKSSDAGRCZEAKO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160750
Brc1sc2C(N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)C)CCCN(c2c1)C(=O)OC(C)C	SCHEMBL4772396,PC-id_11721348	601.4	MQUMTTYCCUWYSC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160751
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)n1nc(c2c1CCCCC2)C(F)(F)F	PC-id_144505780	601.542	PQMPMMYUHRTMGR-DEOSSOPVSA-N	00000000100000111101100000000010000000000000000000000000	31-01-160752
CC(C)(C)OC(=O)NC1Cn2c(cnn2)CN(C1=O)CC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC	PC-id_134950523	601.651	IZSKQZNYPOSXNP-HMTLIYDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160753
O=C(N1CCC(CC1)CCn1cc2c(n1)C(=O)N[C@@H](CN2C(=O)c1ccc2c(c1)OCO2)Cc1ccccc1)OC(C)(C)C	PC-id_142695298	601.693	WTTHCQFXJVNFLH-RUZDIDTESA-N	00000010100010110101000000001010000000000000000000000000	31-01-160754
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1onc(C2CCCCC2)c1	MCULE-3918671695,ZINC22_1772713966,PC-id_137341872,EMOLS-id_317502634	601.694	VRKLSKYHTJSJLK-MSFWWKAZSA-N	00000000100010000101100000000010000000000000000000000000	31-01-160755
O1C[C@@H](NC(=O)[C@H](NC(=O)NC(Cc2ccc(nc2)NC(=O)OC(C)(C)C)C(=O)O)Cc2ncn(CCCC1)c2)C(C)C	SCHEMBL2218730,PC-id_67320999	601.694	FUXUJVAVOZIMNB-OJVMETQDSA-N	00000000100000101101000000000010000000000000000000000000	31-01-160756
O1C[C@@H](NC(=O)[C@H](NC(=O)N[C@@H](Cc2ccc(nc2)NC(=O)OC(C)(C)C)C(=O)O)Cc2ncn(CCCC1)c2)C(C)C	PC-id_67320995,SCHEMBL2218724	601.694	FUXUJVAVOZIMNB-XPWALMASSA-N	00000000100000101101000000000010000000000000000000000000	31-01-160757
O1CC(NC(=O)C(NC(=O)NC(Cc2ccc(nc2)NC(=O)OC(C)(C)C)C(=O)O)Cc2ncn(CCCC1)c2)C(C)C	PC-id_77266241	601.694	FUXUJVAVOZIMNB-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-160758
COC[C@@H]1NC(=O)c2sccc2OCCCCCCOC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)NC1=O	CHEMBL4536377	601.711	DHPIVZMQPZKVHK-GDCCIXDYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-160759
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4290610,MCULE-1270718738,EMOLS-id_22701392	601.737	YTBGIPGMUVDBMP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160760
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2C)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22701052,PC-id_3466471,MCULE-8842903856	601.737	GHBMXYVJPCNDJS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160761
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCCCC2	PC-id_98229399,CoCoCo_2662469	601.737	YTBGIPGMUVDBMP-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160762
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccc(c(c2)OC)OC)C)sc2c1CCCCC2	PC-id_98229400,CoCoCo_2662470	601.737	YTBGIPGMUVDBMP-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160763
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCCCC2	CoCoCo_2661973,PC-id_98229270	601.737	GHBMXYVJPCNDJS-MRXNPFEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160764
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2cc(OC)cc(c2)OC)C)sc2c1CCCCC2	CoCoCo_2661974,PC-id_98229271	601.737	GHBMXYVJPCNDJS-INIZCTEOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160765
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc(c2)C(=O)OCC)C(=O)OC	PC-id_4164692	601.757	IZBLMZBITJECPJ-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160766
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc(c2)C(=O)OC)C(=O)OCC	PC-id_4159386	601.757	MBPRIGSPAZUVOP-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160767
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c2ccc(C(C)C)cc2)c1C#N)C#N)C(=O)OCC	PC-id_24001242	601.782	UAFNZSARXUMGKE-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-160768
C/C=CC1=C(C)C(c2c1cccc2)COC(=O)N1CCC[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2	PC-id_143832000	601.799	LEIHOFJUILSBFG-OMLAGPOJSA-N	00000011100010100100000000001010000000000000000000000000	31-01-160769
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19317507	601.802	GFPXTXWPWVBLQG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160770
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2C2CCCCC2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700372,CoCoCo_2661465,MCULE-8319809552,PC-id_4086196	601.804	MPWCTAJAUOXZMQ-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-160771
OCC(NC1=C(C)CCc2n(C(=C1)CCCCCc1ccccc1F)ncc2C(C)C)CCCCCCCc1cncnc1	PC-id_145527932	601.84	KDPNGZYSDKTHRY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-160772
Clc1c(COc2c(OC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc(F)c1	PC-id_19659592	602.073	DERVYNMGIPYFOA-VWJSQJICSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160773
Clc1c(COc2c(OC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc(F)c1	PC-id_73634076	602.073	DERVYNMGIPYFOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160774
Clc1c(COc2c(OC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)c(F)ccc1	PC-id_3325620	602.073	BCSOAJLGICRUJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160775
Clc1c(COc2c(OC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)c(F)ccc1	PC-id_9664519	602.073	BCSOAJLGICRUJU-VWJSQJICSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160776
ClCC(=O)NCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750477	602.143	FGWCUPQQIKQVAH-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-160777
C1CCCc2c(CC1)nnn2C(C(=O)c1ccc(cc1)Cl)(n1c2c(CCCCCC2)nn1)n1c2c(CCCCCC2)nn1	PC-id_134844667	602.173	FRAOLVVMKDQVSO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160778
C=CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1Br	ZINC22_408969852	602.381	VPQSYNOWUKRRLS-OCSSWDANSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160779
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn(Cc2cc(Cl)c(Cl)cc2)c1	PC-id_20172742	602.394	MYYGFDWHUFFCRO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160780
Brc1c(NC(=S)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn(Cc2c(Cl)cc(Cl)cc2)c1	PC-id_20172987	602.394	ILSVVFSGXXPOHS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160781
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nn(Cc2cc(Cl)c(Cl)cc2)c1	PC-id_20172735	602.394	BCRDOAXVXLBMSK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160782
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OC)nn(Cc2c(Cl)cc(Cl)cc2)c1	PC-id_20172980	602.394	RDTOMJFIUCOBGR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160783
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(I)c1OC	ZINC22_408972877	602.527	WOGZVZUIMKJXNZ-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160784
Clc1c(COc2ccc(C(=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)cc2)c(Cl)ccc1	PC-id_4345309	602.529	QARHCVNPWHNONR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160785
Clc1c(COc2ccc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/C)cc2)c(Cl)ccc1	PC-id_9658485	602.529	QARHCVNPWHNONR-ATZGPIRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160786
s1c2c(CCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)C(F)F)cc(OCC(F)(F)F)c1)C(=O)OCC	PC-id_20166385	602.585	DKDAGEZRFWOBOZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160787
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)C(F)F)cc(OCC(F)(F)F)c1)C(=O)OC	PC-id_20166378	602.585	VOXLZKVLVVPUCC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160788
CCCCCCCCCCCCCCCCNc1nc(=O)c2c(nc(Br)n2Cc2ccc(OC)cc2)c(=O)[nH]1	PC-id_15955481,CHEMBL199672	602.606	DBOSVJMRWMBTRC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-160789
COC(=O)c1c2-c(c(c1Oc1ccc3-c(cc1C(C)C)c(c(c3C(=O)OC)O)C(=O)OC)C(=O)OC)cccc(c2)C(C)C	PC-id_102009213	602.628	LCMJRRWHGCIEID-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-160790
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1cc(OC)c2c(OCO2)c1	MCULE-7448572628,PC-id_137341154,EMOLS-id_317498529	602.636	AQPMHHMJWKVIGJ-IAAUVJCUSA-N	00000010100000100101000000001010000000000000000000000000	31-01-160791
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1ccc(c(OC)c1)OC	PC-id_137334657,MCULE-9188282974,EMOLS-id_317498499,ZINC22_1772704811	602.636	TXZAUAOBJDACIF-IAAUVJCUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160792
o1c2-c(c(C(=c3ccc(=C(C#N)C#N)cc3)C(=C(C#N)C#N)c3c4-c(cccc(c4)C(C)C)oc3=O)c1=O)cc(C(C)C)ccc2	PC-id_57338925	602.637	MBZSWTIMMYIQJY-UHFFFAOYSA-N	00000010100000100110000000000010000000000000000000000000	31-01-160793
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)N)C(=O)N	PC-id_4441150	602.664	GRSNCWYCLNIAJY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160794
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccccc1	PC-id_137339675,ZINC22_1772713717,EMOLS-id_317520300,MCULE-8939452232	602.681	PPKHQIWMIBXAGL-LPPUWEFUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160795
c1(C(=O)N2CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3noc(C2)c3)cc(nn1CC)C(C)C	EMOLS-id_317479038,PC-id_137334223,MCULE-5728457032,ZINC22_1772705048	602.682	WLHBAGUUKAQNGP-TXKCWOHGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160796
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccc(Br)cc1	ZINC22_408971019	603.569	CQHYDRMTONARED-QXUDOOCXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160830
CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)c2nc1sc2)[C@H](O)C)[C@H](O)C)C	UNPD139998,PC-id_50942792	602.702	ADBNSJLKNCMLCN-PQACYZQCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160797
O=C1NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(c2nc1cs2)C(C)CC)C(O)C)Cc1ccccc1)C(O)C	CNP0231568,PC-id_75587445	602.702	ADBNSJLKNCMLCN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160798
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cncc(C)c1	EMOLS-id_317460405,PC-id_137345184,MCULE-3995729489,ZINC22_1772713666	602.727	OJFQXXCVAFNPIW-UHSQPCAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160799
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cc1cccnc1	MCULE-4421419434,ZINC22_1772713420,PC-id_137345746,EMOLS-id_317494432	602.727	KZVJFKUCKGWMNZ-VIZCGCQYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160800
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(F)cc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18910263	602.739	AIEWVHSVTIGEBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160801
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(F)cccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18910131	602.739	JKKPONYKVSFBGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160802
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(F)cc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18910264	602.739	WXLSGBMAHZIPCL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160803
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(F)cccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18910132	602.739	BYKZVXUICRCDIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160804
CCCC1CC(CCC)CC(C1)(C)CN(C(=O)c1cc(nc2n1ncc2)C(=O)NCC1=CCc2c(C=CC1)oc(=O)n2C)C	PC-id_143587994	602.767	AHDWYUWULWPPKD-UHFFFAOYSA-N	00000000100010100111000001000010000000000000000000000000	31-01-160805
CCCc1nc2c(n1Cc1ccc(c(c1)CC(C)(C)C)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	PC-id_69179757,SCHEMBL4764462	602.787	CIIHTXQKXQLDBK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160806
CCCc1nc2c(n1Cc1ccc(c(c1)CC(C)(C)C)c1ccccc1S(=O)(=O)Nc1onc(c1C)C)C(=O)CCCC2	PC-id_69182491,SCHEMBL4771097	602.787	XAXGGZSICFYOQZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160807
CN(C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCCc2c1ccs2)C	PC-id_139750490	602.787	MZNAIIBFAVNFRX-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160808
c1(c2CCCCCc2sc1NC(=O)CCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC(C)C)C(=O)OC(C)C	MCULE-6454120786,ZINC22_8443731,EMOLS-id_4199176,TIMTEC347486,PC-id_4592880,SPECS-id_AK-968/13030108,CoCoCo_6807641	602.805	NZIDNRPPBBICDV-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160809
c1(NC(=O)CCCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)sc2c(CCCCC2)c1C(=O)OCCC	TIMTEC142256,MCULE-9303573482,SPECS-id_AK-968/13031184,EMOLS-id_4199172,PC-id_4392514,CoCoCo_6787052,ZINC22_8443758	602.805	FEJGEEADIIWSQK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160810
c1(NC(=O)CCCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_4998342,EMOLS-id_4199174,CoCoCo_6807666,TIMTEC198421,ZINC22_8431984,SPECS-id_AK-968/12383091,MCULE-7993132514	602.805	HPJNJJJUDGEFNO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160811
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C(=O)OC	PC-id_3323334	602.805	HMAWRIRTOATMFA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160812
S(=O)(=O)(N1C(C(c2c(scc2)C(O[Si](C(C)(C)C)(C)C)C1)Cc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_76101131	602.837	NETZNNXODIQOPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160813
S(=O)(=O)(N1C([C@@H](c2c(scc2)[C@@H](O[Si](C(C)(C)C)(C)C)C1)Cc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_54107497	602.837	NETZNNXODIQOPW-DUGVZXTISA-N	00000000100000110100000000000010000000000000000000000000	31-01-160814
S(=O)(=O)(N1[C@H]([C@H](c2c(scc2)[C@@H](O[Si](C(C)(C)C)(C)C)C1)Cc1ccccc1)C(=O)NO)c1ccc(OC)cc1	PC-id_54107498	602.837	NETZNNXODIQOPW-KKUQBAQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160815
CC(c1ccc(c2-c(c1)c(C)cc2Cc1ccc(cc1)N=Nc1ccc(cc1)Cc1cc(c2-c1c(C)ccc(c2)C(C)C)C)C)C	PC-id_102481831	602.849	YBSCAHGNEKBXST-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160816
CCc1c(n2C=CC(C=Cc2n1)CN(C)CCN(CC)CCNC)N(C)CS/C(=C(/C1=C(CCC=CC=C1)C#N)N=C)/C	SCHEMBL19775067,PC-id_134173567	602.879	HPBYEMRJIKPEFM-NYEOGAAESA-N	00000000100000000111000000000010000000000000000000000000	31-01-160817
CCCCCCCCCCCCN(CC(OC(=O)C)CCCCCCCCCC1=CC(=O)c2c(N(C1O)C)nc[nH]2)CC	PC-id_141831486	602.891	WHZAXRVRLIIBER-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160818
s1c(C(c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)ccc1C=O	PC-id_10555598	602.911	FHKHYYNGLRFGHI-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-160819
Clc1cc(ccc1Oc1cccc(c1)C(F)(F)F)NC1=NC=NCc2c(C1)n(CCOCCOCC(F)(F)F)cc2	PC-id_143966079	602.956	YGADSBKJFBLEEF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-160820
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)C)cc1C)C	PC-id_17307298	603.196	JJAFXPXPGCKBEF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160821
Clc1c(cc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)C)cc1C)C	PC-id_19641645	603.196	SHKLSMCKQNHSNN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160822
Clc1cc(c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cc1)C	PC-id_20123525	603.196	QFMPUELMVUBFAK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160823
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CCOCCOCCOCCOCCNC(=O)COC1CCCCCc2c1nnn2CCOCCOCCOCCN	PC-id_163609414	603.384	PLSKHVZFMZZHFO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160827
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCc1nc2ccccc2[nH]1)Nc1c(cc(cc1)I)F)C	PC-id_91035195	603.45	SHJAZDWVRADEHT-UHFFFAOYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-160828
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCc1ccccc1	ZINC22_408969135	603.569	HYQGSMFZSJMTRB-QXUDOOCXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160829
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCc2nnn(CC(=O)NC1Cc1[nH]cnc1)c2	PC-id_74392735	603.591	DEBQMBSOFGILER-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160831
O=C1N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)NCc2nnn(CC(=O)N[C@H]1Cc1[nH]cnc1)c2	PC-id_25136810	603.591	DEBQMBSOFGILER-OWCLPIDISA-N	00000000100000000101000000000010000000000000000000000000	31-01-160832
COC(=O)c1ccc(cc1)N(CC(=O)c1cc(c2-c1ccccc2)C(=O)OC)CC(=O)c1cc(c2-c1ccccc2)C(=O)OC	PC-id_101134819	603.617	IRJIIXQSRBYNGQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160833
FC(F)(F)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)n2nnc(CCCC(=O)NCCCC1)c2)CCCCN)CCCN	PC-id_73214130	603.638	LIJMURMULPLTJY-FHWLQOOXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160834
FC(F)(F)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)n2nnc(CCC(=O)NCCCC1)c2)CCCCN)CCCCN	PC-id_73213766	603.638	QGCLHUGKEJAOLB-FHWLQOOXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160835
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccccn1	ZINC22_1772713346,MCULE-6299304873,PC-id_137345671,EMOLS-id_317463485	603.669	DQHWASFQJQZRFQ-NIJXNBFTSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160836
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1cccnc1	MCULE-4899939684,EMOLS-id_317475956,ZINC22_1772701561,PC-id_137336716	603.669	FNTWCADEXYYTQP-NIJXNBFTSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160837
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccncc1	MCULE-6786566515,ZINC22_1772713160,PC-id_137342044,EMOLS-id_317488813	603.669	AZAGPVIOPSGQOL-NIJXNBFTSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160838
C/C=CC1=C(CC)Nc2c(CN1C(=O)c1ccc(c(c1)F)CNC(=O)N1CCN(CC1)Cc1cc(O)cc(c1)O)cnn2C	PC-id_143013703	603.687	UKCOAWZVRBQSSD-XQRVVYSFSA-N	00000000100010110111000000000010000000000000000000000000	31-01-160839
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1cccc(C)n1	EMOLS-id_317504930,ZINC22_1772713111,PC-id_137344648,MCULE-8619882025	603.712	DNLNRIXTZLLRQB-GDKKVTFASA-N	00000000100000111101000000000010000000000000000000000000	31-01-160840
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC)ccc(c2)C(=O)OCC)C(=O)OCC	PC-id_4457310	603.773	COFMJRNPKKIMRV-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160843
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)ccc(c2)C)C(=O)OCC	PC-id_3638606	603.773	PCBWLMLLWMOWTQ-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160844
c1(NC(=O)CSc2c3ccccc3n(CCNC(=O)c3ccc(c(C)c3)C)c2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_5440501,PC-id_4166406,MCULE-1458991713,ZINC22_97963763,CoCoCo_4983647	603.795	MRYVDIAAHJPNFJ-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-160845
c1(NC(=O)CSc2c3ccccc3n(CCNC(=O)c3cc(C)cc(C)c3)c2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_5105236,EMOLS-id_5440469,MCULE-4469197435,CoCoCo_4983630,ZINC22_97963757	603.795	VDDQPMKYAPFLPX-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-160846
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCC1COC(O1)(C)C)Nc1c(cc(cc1)I)Cl)C	PC-id_91347217	603.901	BFVTXDYSVGJCNV-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-160847
Clc1c(CNC(=O)N2C(CC(OC)C2)C(=S)N2CCCN(CC2)C)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_75010570	604.227	WWKGZIXZPOXUJL-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-160848
CO[C@@H]1C[C@@H](C(=S)N2CCCN(C)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc34)cc2Cl)C1	BindingDB_PC-id_44394044,CHEMBL362483,PC-id_44394044	604.227	WWKGZIXZPOXUJL-RDGATRHJSA-N	00000010100000110101000000000010000000000000000000000000	31-01-160849
COC(=O)c1cc(c2-c1ccc(cc2)C(CO[Si](C(C)(C)C)(C)C)C)CCCCNS(=O)(=O)c1ccc(cc1)Cl	PC-id_139605608	604.272	RTSISSBAZSONSK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-160850
CC1=NN2CCN(CCCC(=O)N[C@H](C(=O)N[C@@H](C2=N1)C(C)C)CC3=CC=CC=C3)C(=O)C4(CCC4)C5=CC=C(C=C5)Cl	PC-id_165419737	604.293	OTRJDRYKXWZJCW-LMSSTIIKSA-N	00001000100000110101100000000010000000000000000000000000	31-01-160851
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCN(CCO)CCO)Nc1c(cc(cc1)I)F)C	PC-id_90839409	604.477	QLKTXTPAHLCJKP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160852
CC(OC(=O)C1=CN(CC(c2c1[nH]nc2C(F)(F)F)(C)C)C(=O)c1cc(F)c(c(c1)F)OCCN1CCOCC1)S	SCHEMBL19659810	604.589	AVPGQFCCPDWKEE-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-160853
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C(=O)OC	PC-id_4655142	604.634	RPXSHOOLYVYNSL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-160854
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)COC	ZINC22_1772713701,EMOLS-id_317496751,PC-id_137340309,MCULE-9610960438	604.654	QLUKQEGHEOIAOB-AMDXRBSFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160855
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1cnccn1	ZINC22_1772713804,EMOLS-id_317501608,PC-id_137340583,MCULE-9762787222	604.657	SREYIVQOQAXLRO-UEVCKROQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160856
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)CCCOC	ZINC22_1772705194,PC-id_137334350,EMOLS-id_317476491,MCULE-2616801120	604.697	RECYGVUOHCPRHS-FDJWOJMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160858
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1ccccc1c1ccccc1	ZINC22_1772706793,EMOLS-id_317462152,MCULE-5796413070,PC-id_137337568	604.697	XXQXUAIDONVXPP-HHPBIKOWSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160859
c12cc(on1)CN(CCOCC)CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1	ZINC22_1772713162,EMOLS-id_317485733,MCULE-8127010974,PC-id_137344067	604.697	BGEMXZJSSCOQOV-FDJWOJMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160860
CN1CCN(CC1)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cc(F)cc(c1F)NC(=O)c1cc2c(s1)CCCCC2	PC-id_59740575,SCHEMBL12118073	604.713	IHCHSWSCUJHVLX-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-160861
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3cccnc3OC)CCCNC(=O)Cn1nc(C)n2	EMOLS-id_317488545,ZINC22_1772713504,PC-id_137342039,MCULE-9379264275	604.743	JUTVNTQRRYQVKN-UHSQPCAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-160862
CCOCCc1cc(ccc1c1ccccc1S(=O)(=O)Nc1noc(c1C)C)Cn1c(CCC)nc2c1C(=O)CCCC2	PC-id_69179918,SCHEMBL4764874	604.76	FUMAAXOXENOJPW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160863
CCOCCc1cc(ccc1c1ccccc1S(=O)(=O)Nc1onc(c1C)C)Cn1c(CCC)nc2c1C(=O)CCCC2	SCHEMBL4774498,PC-id_54324425	604.76	STXFMHZZPIVUGY-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160864
COCCCOc1cc(ccc1OC)C(=O)N(C(C)C)C[C@@H]1CNCC1CN(C(=O)c1c[nH]c2c1CC=CCC=C2)C1CC1	PC-id_143294768	604.779	LPNFUDSTJOMKMX-QBHOUYDASA-N	00100010100000110110000000000010000000000000000000000000	31-01-160865
CCCN(Cc1nc2=CCC=C(C=c2[nH]1)Cc1cc2c(cc1)nc([nH]2)CN(CCC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	PC-id_91454796	604.783	WAOYPOUUZDAEQG-UHFFFAOYSA-N	00000000100000100111000001000010000000000000000000000000	31-01-160866
CC1C/C(=C/C=CC(=O)OC(Cc2nc(cs2)CCCC(C(=O)O1)NS(=O)[O-])/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	PC-id_134476905	604.801	CRFOSKBZUGRQBO-AMVSGZDGSA-M	00000000100000000111000000000010000000000000000000000000	31-01-160867
C[C@H]1C/C(=C/C=CC(=O)O[C@@H](Cc2nc(cs2)CCC[C@@H](C(=O)O1)N[S](=O)=O)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	PC-id_134476915	604.801	CKUVLKFLSVVNET-YSUJDPHOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160868
C[C@H]1C/C(=C/C=CC(=O)O[C@@H](Cc2nc(cs2)CCC[C@H](C(=O)O1)N[S](=O)=O)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	PC-id_134476952	604.801	CKUVLKFLSVVNET-ZTTNVPOJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-160869
CN(C/C=C(/C=C/C(=C/C1OC(=O)/C=CC=C(/C)CC(C)OC(=O)CC(CCc2nc(C1)sc2)NS(=O)[O-])/C)C)C	PC-id_138712375	604.801	CDWBESZZMUQDTF-NRWXMPBRSA-M	00000000100000000111000000000010000000000000000000000000	31-01-160870
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)[C@H](CCCc2nc(C1)sc2)NS(=O)[O-])/C)C)C	PC-id_146027504	604.801	CRFOSKBZUGRQBO-YSUJDPHOSA-M	00000000100000000111000000000010000000000000000000000000	31-01-160871
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)[C@@H](CCCc2nc(C1)sc2)NS(=O)[O-])/C)C)C	PC-id_146027506	604.801	CRFOSKBZUGRQBO-ZTTNVPOJSA-M	00000000100000000111000000000010000000000000000000000000	31-01-160872
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2sccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911189	604.802	MXQGGMIGCPYKBE-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-160873
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2CCCCC2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911849	604.822	QFTKOJHXKSEJCF-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-160874
Clc1c(sc2c1ccc([N+](=O)[O-])c2)C(=O)N1CCN(CC1)CC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC	PC-id_22196904	605.125	CFBOUGPZAPLCBQ-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-160875
Clc1c(sc2c1ccc([N+](=O)[O-])c2)C(=O)N1CCN(CC1)CC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC	PC-id_22196805	605.125	IIDJHDMQOAWQNP-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-160876
Clc1cc(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)c3ccccc3)ccc2)ccc1	PC-id_18910526	605.167	ZFMBCDXJFACNSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160877
CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2c1ccs2)C(=S)N1CCC[N@H+](CC1)C	GD-id_ZINC28367070	605.235	WWKGZIXZPOXUJL-RDGATRHJSA-O	00000010100000110101000000000010000000000000000000000000	31-01-160878
CSCCC(C(=O)O)NC(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I	SCHEMBL4506336,PC-id_69071298	605.484	TUCADIIXTVDQPC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160879
Brc1ccc(OCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)cc1	PC-id_21166835	605.567	KBTYDQFFRVDIMK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160880
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)C)cc1	PC-id_19638081	605.567	LXUCJMTYUXOJGF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160881
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Brc1c(n(nc1C(F)(F)F)CCCNC(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C1CC1	PC-id_20176839	607.55	FUJXSJYLFNUVRE-UHFFFAOYSA-N	00100000100000000101100000000010000000000000000000000000	31-01-160953
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)C)cc1	PC-id_19638043	607.583	YMHSVCUZDIHGMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160954
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)C)cc1	PC-id_17306405	607.583	QAYPFAVQFMSQKN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160955
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccc(Cl)cc1Cl	ZINC22_408971688	607.59	PGRIIUZLDHWJBY-ZSNJKBEMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160956
CC(=NCC(CN=C(C)/C(=N/[O-])/C)n1c2c(C(CCCCC2)OCC(=O)ON2C(=O)c3ccccc3C2=O)nn1)/C(=N/O)/C	PC-id_136173246	607.638	UWDHCLJVPJWRGZ-CTBRAZBRSA-M	00000010100000100101000000001010000000000000000000000000	31-01-160957
O(C1CCCCCc2n(nnc12)C(CN/C(=C(N=O)/C)/C)C/N=C(C)/C(=N/[O-])/C)CC(=O)ON1C(=O)c2c(C1=O)cccc2	PC-id_60202292	607.638	UGLJWZOTFSRYDL-ZDHXIXGPSA-M	00000010100000100101000000001010000000000000000000000000	31-01-160958
O(C1CCCCCc2n(nnc12)C(CNC(=C(N=O)C)C)C/N=C(C)/C(=N[O-])C)CC(=O)ON1C(=O)c2c(C1=O)cccc2	PC-id_72681837	607.638	UGLJWZOTFSRYDL-WQIZOUKWSA-M	00000010100000100101000000001010000000000000000000000000	31-01-160959
c1(c(C)ocn1)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	ZINC22_1772713244,EMOLS-id_317503906,MCULE-3498049015,PC-id_137344398	607.657	ICMBGZYRUCIKKD-SXSPYAJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160960
COCCC1=C(C(=O)NC(C)C)c2[nH]nc(c2C(CN1C(=O)c1ccc(cc1)OCCN1CCOCC1)(C)C)C(F)(F)F	SCHEMBL19659360	607.664	JHPOHWSSFXGZHG-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-160961
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CCC(F)(F)F)CCCNC(=O)Cn1nc(C)n2	EMOLS-id_317489066,MCULE-5535914790,PC-id_137340268,ZINC22_1772713898	607.668	WMEMKMQOINQESE-GJZUVCINSA-N	00000000100000110101000000000010000000000000000000000000	31-01-160962
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2ccc(OC)cc2)cc1)C)C(=O)OCC	PC-id_19659260	607.674	WPTSIEJUNXUHJO-DPNNOFEESA-N	00000000100000110100000000000010000000000000000000000000	31-01-160963
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2ccc(OC)cc2)cc1)C)C(=O)OCC	PC-id_73633752	607.674	WPTSIEJUNXUHJO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160964
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2cc(OC)ccc2)cc1)C)C(=O)OCC	PC-id_19660417	607.674	AVZCIHDEDCOAGU-DPNNOFEESA-N	00000000100000110100000000000010000000000000000000000000	31-01-160965
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2cc(OC)ccc2)cc1)C)C(=O)OCC	PC-id_73634874	607.674	AVZCIHDEDCOAGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160966
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C(/c1cc(OC)c(OC(=O)c2c(OC)cccc2)cc1)C)C(=O)OCC	PC-id_19660981	607.674	DMTUAVSLGVWDRB-DPNNOFEESA-N	00000000100000110100000000000010000000000000000000000000	31-01-160967
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1cc(OC)c(OC(=O)c2c(OC)cccc2)cc1)C)C(=O)OCC	PC-id_73635428	607.674	DMTUAVSLGVWDRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-160968
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(N2C(=O)C(Sc3cc(N)ccc3)CC2=O)cc1)C(=O)OC	PC-id_18893923	607.697	JJIDOZFWKVNAIE-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-160969
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1C)ccc(c2)C(=O)OCC)C(=O)OC	PC-id_4335998	607.719	IYFYKCXNCGLJIV-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160970
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1C)ccc(c2)C(=O)OC)C(=O)OCC	PC-id_4643610	607.719	LGAJGWRPKCNOBP-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160971
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC)ccc(c2)C(=O)OC)C(=O)OC	PC-id_3250972	607.719	RCBFIPHVONTKPT-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160972
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC(=O)OC)ccc(c2)C)C(=O)OC	PC-id_4192231	607.719	XMQMQFIECDOPHP-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160973
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC(=O)OC)cccc2)C(=O)OCC	PC-id_4456447	607.719	AAELCIJOQQWQCR-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160974
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC(=O)OCC)cccc2)C(=O)OC	PC-id_3317207	607.719	RFKWFUKQKYZMGS-BYCLXTJYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160975
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)ccc(F)c2)C(=O)OCC	PC-id_5101363	607.737	DOMVCGCNHUGFQD-IKPAITLHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160976
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2CCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661809,MCULE-7201280707,EMOLS-id_22700922,PC-id_3276039	607.744	UYHKORPWGDUIPJ-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-160977
c1(SC(C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1c1cccc(C)c1	EMOLS-id_22701310,PC-id_4657704,MCULE-4024236594	607.744	BINNCWKKQRCGEN-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-160978
CCOC(=O)c1c2CCCCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1c1cccc(C)c1C	PC-id_5064291,CoCoCo_2661534,MCULE-6164470925,EMOLS-id_22700476	607.744	GWRITXQRLLIFBT-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-160979
CCOC(=O)c1c2CCCCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1c1cc(C)ccc1C	PC-id_5064294,EMOLS-id_22700482,MCULE-3094143138,CoCoCo_2661538	607.744	IRKMUEFDCXFRSO-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-160980
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2Cc2ccccc2)sc2CCCCCc12	PC-id_4119178,EMOLS-id_22701300,MCULE-9432028132	607.744	MASDRXSCFLHPFF-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-160981
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_98229788,CoCoCo_2662345	607.744	BINNCWKKQRCGEN-LJQANCHMSA-N	00000000101000110101100000000010000000000000000000000000	31-01-160982
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_98229789,CoCoCo_2662346	607.744	BINNCWKKQRCGEN-IBGZPJMESA-N	00000000101000110101100000000010000000000000000000000000	31-01-160983
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_98359006,CoCoCo_2662316	607.744	MASDRXSCFLHPFF-LJQANCHMSA-N	00000000101000110101000000000010000000000000000000000000	31-01-160984
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_98359007,CoCoCo_2662315	607.744	MASDRXSCFLHPFF-IBGZPJMESA-N	00000000101000110101000000000010000000000000000000000000	31-01-160985
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC)ccc(OCC)c2)C(=O)OCC	PC-id_4093799	607.762	RFGFUQHJGSMEAQ-ORIPQNMZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160986
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CCOC)ccc(c2)C)C(=O)OCC	PC-id_5050557	607.762	OAPYKTUKLDTJIP-ORIPQNMZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160987
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CCOCC)ccc(c2)C)C(=O)OC	PC-id_4564313	607.762	MBYXPDFZWKYPDQ-ORIPQNMZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160988
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CCOCC)cccc2)C(=O)OCC	PC-id_3698621	607.762	XLEFUCRICNNKNU-ORIPQNMZSA-N	00000000100000100101000001000010000000000000000000000000	31-01-160989
CC1CCCN(NC1)CC(=O)N1CCCN(c2c1scc2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	PC-id_139710010	607.765	RRMBEXRHCVITGK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160990
CN1CCCN(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4c4ccccc4)cc3)c3ccsc23)CC1	CHEMBL366816,PC-id_10603742,BindingDB_PC-id_10603742	607.765	JBWTUVNRRIWIJQ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-160991
O=Cc1sc2c(c1)N(CCCN2CCN1CCN(CC1)C)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1	PC-id_139709942	607.765	AUSVOMQULYAJHL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-160992
CCC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H]1C	PC-id_636676,UNPD18047,SCHEMBL3128362,CHEMBL504230	607.805	LOMSNBSLWHBACM-LNJFAXJLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160993
O1C(=O)[C@H]([C@H](NC(=O)c2nc(sc2)[C@@H](NC(=O)[C@H](C(C)C)N(C(=O)[C@H](C(C)C)NC(=O)[C@@H]1C(CC)C)C)C)CCC)C	CMNPD12475	607.805	LOMSNBSLWHBACM-GPPPXPKLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160994
O=C1NC(CCC)C(C(=O)OC(C(=O)NC(C(=O)N(C)C(C(=O)NC(c2nc1cs2)C)C(C)C)C(C)C)C(C)CC)C	CNP0286848,PC-id_22297313	607.805	LOMSNBSLWHBACM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160995
s1c2nc(C(=O)NC(C(C(=O)O[C@@H](C(CC)C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](C(C)C)C(=O)N[C@H]2C)C)C)CCC)c1	PC-id_21776537	607.805	LOMSNBSLWHBACM-KHBIGHAISA-N	00000000100000000101000000000010000000000000000000000000	31-01-160996
s1c2nc(C(=O)N[C@@H]([C@@H](C(=O)O[C@@H]([C@@H](CC)C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](C(C)C)C(=O)N[C@H]2C)C)C)CCC)c1	PC-id_22297314	607.805	LOMSNBSLWHBACM-NFWWSSJYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160997
s1c2nc(C(=O)N[C@H]([C@H](C(=O)O[C@H]([C@H](CC)C)C(=O)N[C@H](C(C)C)C(=O)N([C@H](C(C)C)C(=O)N[C@@H]2C)C)C)CCC)c1	PC-id_22297315	607.805	LOMSNBSLWHBACM-GVNCIOMKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-160998
COc1cc(cc(c1OC)OC)Nc1nc2=CCC(=CC=c2n1CCNCC1CCCCC1)C(=O)N(CC(C)C)CC(C)C	PC-id_142257704	607.826	ZTMSCOUFOHKAIM-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-160999
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2occ(n2)C(=N)SC[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)C	SCHEMBL18078919,PC-id_122542300	607.828	ADZOZRPHXQSEOF-SKECRGDLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161000
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)sc2c1CCCCCC2	ZINC22_408972296	607.988	OYUBWZSEWDJJKM-ALQBTCKLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161001
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)sc2c1CCCCCC2	ZINC22_408970341	607.988	GLQKSBQXIRSZNP-ALQBTCKLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161002
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/n(c2cc1)CC#C	PC-id_5073242	608.149	KNWNJJSQNBKTQU-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161003
CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)CCCCC3)C4=CN(C(=O)C(=C4)CC5=NC=C(C=C5)C(=O)N6CCC(=O)CC6)C	PC-id_161765967	608.246	HKILQTCUPHXTCG-UHFFFAOYSA-N	00000000100010111100100000000010000000000000000000000000	31-01-161004
Brc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)n(c2cc1)CC=C	PC-id_3599144	608.591	BYTNTRLHXCEQLS-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161005
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(OC(=O)c2c([N+](=O)[O-])cccc2)cc1)C(=O)OCC	PC-id_4584528	608.619	AESBRPYQLBCUFL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161006
s1c2c(CCCCC2)c(c1NC(=O)C(=O)N/N=C/c1cc(OC)c(OC(=O)c2c([N+](=O)[O-])cccc2)cc1)C(=O)OCC	PC-id_9677823	608.619	AESBRPYQLBCUFL-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161007
CCCCCCCCCCCC(=O)OC(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)Br	PC-id_102526291	608.649	YFQDIARNAGVQSO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161008
COCCC1=C(C(=O)OC(C)C)c2[nH]nc(c2C(CN1C(=O)c1ccc(cc1)OCCN1CCOCC1)(C)C)C(F)(F)F	SCHEMBL19659377	608.649	IADANOWSIXULSH-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-161009
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC)ccc([N+](=O)[O-])c2)C(=O)OCC	PC-id_4245406	608.707	DEGYQNTULFDKFC-IMVLJIQESA-N	00000000100000100101000001000010000000000000000000000000	31-01-161010
CCCCC[C@@H]1C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C(=O)Nc2nc(cs2)CC(=O)N1)CC(=O)O)CCCN=C(C)N)C	SCHEMBL14585804,PC-id_136200569	608.71	OVMCWVUVBPOMDX-QYZOEREBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161011
Cc1ccc(cc1)S(=O)(=O)ON=C1CCN(C(=O)c2c1ccn2CCCCN1CCC(CC1)C(=O)c1ccc(cc1)F)C	SCHEMBL9039101,PC-id_88403714	608.723	KFPFXXOPTNIZAD-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-161012
CCCc1nc2c(n1Cc1cc(c(cc1)c1ccccc1S(=O)(=O)Nc1c(c(no1)C)C)COCCF)C(=O)CCCC2	SCHEMBL4774523,PC-id_87726336	608.723	SSSVTKAUQURFNJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161013
CCCc1nc2c(n1Cc1cc(c(cc1)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)COCCF)C(=O)CCCC2	SCHEMBL4773569,PC-id_87726224	608.723	RJYKRFHOJQFPED-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161014
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)CN1CCCC1=O	PC-id_137342156,MCULE-3231265868,EMOLS-id_317516713,ZINC22_1772714422	608.732	PRIGZVQKMNBOJH-GIGWZHCTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-161015
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)C1CC1	PC-id_137339950,ZINC22_1772713616,EMOLS-id_317460408,MCULE-9798344397	608.732	MYLRBTJJPYNYNB-VLUSQRCCSA-N	00100000100000110101000000000010000000000000000000000000	31-01-161016
CC1(COCc2cc(OCc3ccccc3)c(c(c2)OCc2ccccc2)OCc2ccccc2)COc2c(OC1)csc2	PC-id_102072346	608.743	SUKINCPJPXLHCB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161017
CN1CCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750495	608.75	KRVPZZPYLJPCQR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161018
c1(NC(=O)c2ccc(cc2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)sc2c(CCCCC2)c1C(=O)OCC	TIMTEC603351,CoCoCo_6785650,PC-id_4442889,EMOLS-id_4199746,GD-id_ZINC08432010,SPECS-id_AK-968/12383134,ZINC22_8432010,MCULE-8514319501	608.768	ZSVZANCQHFRKLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161019
s1c2c(CCCCC2)c(c1NC(=O)c1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1)C(=O)OCC	PC-id_3487209	608.768	ZSJNXLGOWFHQIU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161020
s1c2c(CCCCC2)c(c1NC(=O)c1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cccc1)C(=O)OCC	PC-id_4098114	608.768	VLCRHPDBDLSTFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161021
s1c2c(CCCCCC2)c(c1NC(=O)c1ccc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cc1)C(=O)OC	PC-id_4643303	608.768	XOIYTPONMAZDBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161022
s1c2c(CCCCCC2)c(c1NC(=O)c1cc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)ccc1)C(=O)OC	PC-id_4992921	608.768	PLNQSFRVZATRBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161023
s1c2c(CCCCCC2)c(c1NC(=O)c1c(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)cccc1)C(=O)OC	PC-id_4622590	608.768	YREZMYGYNMJJNI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161024
CN1CCCN(CC1)CCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750478	608.793	AAVUWXYIKNXSOU-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161025
CN1CCN(CC1)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750460	608.793	DTYRWACWRYKUOM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161026
CCCCCCCC(=O)SCCC=CC1CC(=O)NCc2nc(cs2)C(=O)NC(C(=O)NC(C(=O)O1)C(C)C)(C)C	PC-id_88874621	608.813	CIXGENBIPWTCTC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161027
CCCCCCCC(=O)SCCC=CC1CC(=O)NCc2nc(cs2)C(=O)NC(C(=O)NC(C(=O)O1)C(C)C)CC	PC-id_90362178	608.813	ITZIMHTXTFKTAA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161028
CCCCCCCC(=O)SCC/C=C/C1CC(=O)N[C@@H](CC)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc(C(=O)O1)cs2	PC-id_122216913	608.813	VIYLQPJCIAFSDU-HZNBUCDPSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161029
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2occ(n2)C(=N)SC[C@H](C(=O)N[C@H](C(=O)O1)C(C)C)C	SCHEMBL18078947,PC-id_122542318	608.813	AMTXTWZCNDDRRP-SKECRGDLSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161030
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)NC(C(=O)O1)C(C)C)(C)C	SCHEMBL19047190	608.813	CIXGENBIPWTCTC-RUSQXGLHSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161031
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C	SCHEMBL12068554	608.813	CIXGENBIPWTCTC-WCTVRXQSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161032
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)CC	SCHEMBL14980403,PC-id_60150949	608.813	ITZIMHTXTFKTAA-VANBAOLRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161033
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)C(C)C)CC	SCHEMBL15978250	608.813	ITZIMHTXTFKTAA-KCULNATJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161034
COc1cccc(c1)Oc1nc2c(n1Cc1ccc(cc1)Cl)C(=O)N(C(=O)C(C2)I)CCCN=O	SCHEMBL20432157,PC-id_135268997	608.813	TVJCAVCHICKHFT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161035
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)ccc1OCc1c(C)cc(C)cc1C	ZINC22_408972738	608.833	VZRSXXZWLFQWFM-WVKHYPTHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161036
CCCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCCCC)CCCCCC	PC-id_19102877,SCHEMBL9335223	608.852	DUMWIKYRUQGPAO-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-161037
CCCCCCCc1cc2c(cc(c1=O)CCCCCCC)nc(n2Cc1ccc(cc1)c1ccccc1C(=O)O)CCCC	SCHEMBL9335593,PC-id_19102902	608.852	GICIGSRNNYWIGL-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-161038
[Si](OC1CC(=Cc2oc(CC(CCC#C1)C(=C)C)c(c2)C(=O)OC(C)(C)C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_85380700	608.882	YKUWBUODZJWVLF-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-161039
[Si](O[C@H]1CC(=Cc2oc(C[C@H](CCC#C1)C(=C)C)c(c2)C(=O)OC(C)(C)C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11050318	608.882	YKUWBUODZJWVLF-IOWSJCHKSA-N	00000000100000110110000000000010000000000000000000000000	31-01-161040
CCCCCCCCCCCCOC(=O)CC1(COc2c(OC1)csc2)CC(=O)OCCCCCCCCCCCC	SCHEMBL562629,PC-id_66725684	608.912	CZYDTFAETCKLMM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161041
C1CC/C(=C(CNC(=O)CS(=O)(=O)C2=CC(=C(S2)Cl)Cl)/F)/C3=C(C1)C=NN3CC4=C(C=C(C=C4)Cl)Cl	PC-id_160653624	608.968	RKTCBUSNTNVZFZ-MNDPQUGUSA-N	00000000100100110101000000000010000000000000000000000000	31-01-161042
Clc1ccc(cc1)Cn1c(Oc2cccc(c2)OC(F)(F)F)nc2c1C(=O)N(CCOC1CCCCO1)CC(=O)N2C	SCHEMBL21332897,PC-id_139467219	608.993	OUZMHXPABPESSA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161043
Clc1ccc(cc1)Cn1c(Oc2cccc(c2)OC(F)(F)F)nc2c1C(=O)N(CCCOC1CCCCO1)CCN2C	SCHEMBL21332510,PC-id_139466879	609.036	NODIJYYWGWVWHR-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161044
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)Cc1c(cccc1F)Cl	EMOLS-id_317500322,MCULE-7708981384,PC-id_137342083,ZINC22_1772713524	609.046	OPALJOOOZYBPGQ-CYFXWZIOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161045
CCC[C@@](COC1=NC=C(C=C1C)CN2C=C3C(=N2)C#CCN=C3C(=O)C(CC[C@@H](C)O)N)(F)I=C	PC-id_153716955	609.161	FMKRZZPLJKBTMS-QYXRORFCSA-N	00000000100000101111000000000010000000000000000000000000	31-01-161046
CC[C@H](C)[C@H]1C(=O)N[C@H](C2=NC(=NN2CCN(CCCC(=O)N1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N)C)CC4=CC=CC=C4	PC-id_165424908	609.273	NXOYGADQVCLMTQ-OICBGKIFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161047
C[C@@H]1C[C@H]2[C@H]([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@H](C(=O)NCCC4=CSC(=N4)N(C[C@@H](C[C@@]3(C)O)C)C)C)O)C)OC(=NC(C)C)N2C	PC-id_160682235	609.356	OWMKHQJXTHRIGV-QUXBLSCISA-N	00000010100010000101000000000110000000000000000000000000	31-01-161048
BrC(=CC1OC(=O)C#CC=C(CC(OC(=O)CC(NC(=O)OC(C)(C)C)CC(c2nc(sc2)C1)C)C)C)C	PC-id_73155866	609.572	ULJPFRKLINHJNP-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161049
Br/C(=C/[C@H]1OC(=O)C#C/C=C(/C[C@@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)C[C@@H](c2nc(sc2)C1)C)C)C)/C	PC-id_11966502	609.572	ULJPFRKLINHJNP-VGLJHJFFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161050
Br/C(=C/[C@H]1OC(=O)C#C/C=C(/C[C@@H](OC(=O)CC(NC(=O)OC(C)(C)C)C[C@@H](c2nc(sc2)C1)C)C)C)/C	PC-id_59115908	609.572	ULJPFRKLINHJNP-KSGPAZHGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161051
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)C)ccc(Cl)c1	PC-id_17306942	609.587	RHTODQMKDHUOEE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161052
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)C)cc(Cl)cc1	PC-id_19638500	609.587	KEKUOCJFDKKGAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161053
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)C)ccc(Cl)c1	PC-id_19639981	609.587	LINHRBXTDPJGGZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161054
Clc1c(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)C)cc(Cl)cc1	PC-id_19638421	609.587	MDBQVWAZAPCMGE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161055
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)nn2)CC=C)ccc(Cl)c1	PC-id_20123112	609.587	GLJRBDJRTUYAPA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161056
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=C(c1ccc(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C)C(=O)OCC	PC-id_4143625	609.607	PIQYDDIOXMLABB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161057
s1c2c(CCCCC2)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_9649355	609.607	PIQYDDIOXMLABB-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161058
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)CCc1c2ccccc2[nH]c1	PC-id_137336814,ZINC22_1772705334,MCULE-2115904652,EMOLS-id_317473909	609.673	YKJNTYRABJIFQK-PERMLSPLSA-N	00000000100000100101000001100010000000000000000000000000	31-01-161059
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2C)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22701482,MCULE-5024047858,PC-id_4141609	609.683	REWMEVQOAHZMCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161060
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccccc2C(F)(F)F)C)sc2c1CCCCC2	CoCoCo_2662597,PC-id_98229507	609.683	REWMEVQOAHZMCW-HNNXBMFYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161061
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccccc2C(F)(F)F)C)sc2c1CCCCC2	CoCoCo_2662598,PC-id_98229506	609.683	REWMEVQOAHZMCW-OAHLLOKOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161062
C[C@H]1C/C(=C/C=CC(=O)O[C@@H](Cc2nc(cs2)CCC[C@@H](C(=O)O1)NC(=O)C(F)(F)F)/C=C(C)/C=C/C(=C/CN)/C)/C	SCHEMBL20115481,PC-id_134476996	609.7	FKGMZQDNFBKMRI-WLJKFXLNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161063
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)[C@@H]1CCCN1C	EMOLS-id_317490085,MCULE-5454365126,ZINC22_1772714008,PC-id_137339005	609.716	WIPQMKLLZQVHCY-DWVBLMAMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-161064
CCOC(=O)c1c2CCCCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1c1ccccc1OC	EMOLS-id_22700438,MCULE-5922272634,CoCoCo_2661510,PC-id_3357471	609.716	MDNOGYCYROPGDE-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161065
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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O=C1CCN(CC1)C(=O)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL1322847,PC-id_24900955	609.738	MRERUHSABPTNNU-UHFFFAOYSA-N	00000000100010111100100000000010000000000000000000000000	31-01-161067
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1c(C)nsn1	MCULE-4894662925,PC-id_137340893,EMOLS-id_317489067,ZINC22_1772713899	609.743	WQCOHJWCPKSJRG-RDGATRHJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161068
C/C=C(/C(=O)NC=Nc1c(N)cccc1C(=O)Nc1nc2c(s1)CN(CCC2)Cc1cnc([nH]1)CC)N=Cc1ccccc1	PC-id_143293984	609.744	DWAVHDNDGVHENS-XQOMANKFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161069
c1(NC(=O)c2cccc(n2)C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)sc2c(CCCCCC2)c1C(=O)OC	PC-id_3487749,MCULE-2629418384,ZINC22_97948875,TIMTEC597488,CoCoCo_6812988,EMOLS-id_4199824	609.756	ZMESLOUANVXSGH-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-161070
c1(NC(=O)c2ccc(nc2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_97948874,MCULE-5152745378,PC-id_4989926,TIMTEC571866,CoCoCo_6785634,EMOLS-id_4199822	609.756	YJPAKGKUUNQANN-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-161071
s1c2c(CCCCC2)c(c1NC(=O)c1nc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1)C(=O)OCC	PC-id_4051740	609.756	MJOSWCXLQQDPLB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-161072
s1c2c(CCCCCC2)c(c1NC(=O)c1ccc(nc1)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC)C(=O)OC	PC-id_5101355	609.756	XIUZVKRUUVSVEB-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-161073
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)C1(CCC1)COC	EMOLS-id_317488040,PC-id_137338754,MCULE-9625056651,ZINC22_1772713916	609.759	XCPQDPMQKVPOAR-NAKRPHOHSA-N	00001000100000110101000000000010000000000000000000000000	31-01-161074
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)ccc1OCC(=O)Nc1ccccc1	ZINC22_409010231	609.778	BLFPCWNWEHMOFX-SEBMTOOBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161075
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)ccc1OCC(=O)Nc1ccccc1	ZINC22_409014522	609.778	MRMCCQJHBLIAAU-SEBMTOOBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161076
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)ccc1OCC(=O)Nc1ccccc1	ZINC22_409011202	609.778	FHIJNJSVUYMXRN-SEBMTOOBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161077
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)ccc1OCC(=O)Nc1ccccc1	ZINC22_409018259	609.778	UDRRTBIIUJVPFQ-SEBMTOOBSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161078
COc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCN(c2c1ccs2)CCN1CCN(CC1)C	PC-id_139709937	609.781	QJCCUCLBNJPRRX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161079
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2c2cccc(C)c2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661469,PC-id_3542126,MCULE-3307924544,EMOLS-id_22700376	609.783	PTIJOZHNXBJWHD-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-161080
CCOC(=O)c1c2CCCCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1	MCULE-7914164799,EMOLS-id_22700354,PC-id_3293189,CoCoCo_2661453	609.783	AOQFGDGXFJBZQS-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-161081
O=C1NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)c2nnn(C1C(C)C)c2)Cc1ccccc1	PC-id_76512142	609.803	WAOBLNZHNKAACT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161082
O=C1N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)c2nnn([C@H]1C(C)C)c2)Cc1ccccc1	PC-id_57328680	609.803	WAOBLNZHNKAACT-RRUDZPKISA-N	00000000100000110101000000000010000000000000000000000000	31-01-161083
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)CC)C(=O)OCC	PC-id_19317932	609.822	LBNYFMVGYLORIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161084
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)CC)C(=O)OC	PC-id_19317933	609.822	VGASAKPAXKLAQU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161085
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)C)C(=O)OCC	PC-id_19317868	609.822	QYAPLWRWAQNGCT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161086
C[C@H]1C[C@@H]([C@@H]([C@H](C(=O)O[C@H]([C@H](/C=CC=C(C(=O)OCc2cn(C1)nn2)/C)OC)CO[Si](C)(C)C(C)(C)C)C)OC)OC	PC-id_137633672	609.827	WSAQYMRXWBPZHD-XTIYZHQPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161087
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)CC(=O)OC	PC-id_5139844	610.165	ARPXXOYRMLNVOA-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161088
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)n(c2cc1)CC(=O)OCC	PC-id_5076404	610.165	IXZKUSRJORRTAH-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161089
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/n(c2cc1)CC=C	PC-id_5087009	610.165	GRUHSDOKCYJBQH-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161090
Clc1ccc(C(=O)NCCn2c3c(c(SCC(=O)Nc4sc5c(CCCCC5)c4C(=O)OCC)c2)cccc3)cc1	PC-id_4124517	610.186	ANJCAZMASGPBDX-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161091
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=Cc2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_73470725	610.785	IJPSCTMVTIPNSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161124
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)CCOCC	PC-id_4142189	610.208	WWUHLHURGAEAGO-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161092
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4=CC=CC=C4	PC-id_155171405	610.283	UBBUXPAEYHLQNZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161093
CCCC1=C(N=C(C2=C(C1)C=CS2)NC3=CC(=CC=C3)NC(C=C)OC)C(CC)CC4CC=C(C#CC4)C5CCCN(C5)C	PC-id_163821257	610.371	NVPAXAXDQREPMT-UHFFFAOYSA-N	00000000100010110110100000000010000000000000000000000000	31-01-161094
Ic1ccc(C#Cc2ccc3-c(c(cc3C(=O)OCCCCCC)C(=O)OCCCCCC)cc2)cc1	PC-id_86212121	610.522	OKOWHQZJNSKACX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161095
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(cc3Cl)Cl)n2C)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4075009,EMOLS-id_22701018,MCULE-4135339304	610.576	LNNXFHIFSCDDBX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161096
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C)CNC(=O)c2ccc(cc2Cl)Cl)C)sc2c1CCCCC2	CoCoCo_2661923,PC-id_98229188	610.576	LNNXFHIFSCDDBX-AWEZNQCLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161097
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C)CNC(=O)c2ccc(cc2Cl)Cl)C)sc2c1CCCCC2	CoCoCo_2661924,PC-id_98229187	610.576	LNNXFHIFSCDDBX-CQSZACIVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161098
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1ccc(cc1)C(F)(F)F	ZINC22_1772714328,MCULE-7676562285,PC-id_137339607,EMOLS-id_317506222	610.582	LSOFNIHMQQTHHZ-YQMDMEMYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161099
Brc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)CC	PC-id_4162226	610.607	DLWVBHDGEAOCSB-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161100
Clc1c(sc2c1ccc(Cl)c2)C(=O)N1CCN(CC1)C(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_20180588	610.638	TVBLTLTWUWKEEM-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-161101
CN1[C@H](C(=O)NCC(=O)N[C@H](C(=O)Nc2nc(cs2)CC(=O)N[C@@H](C1=O)CCCCN)CC(=O)O)CCCN=C(N)N	SCHEMBL7738424,PC-id_136164965	610.686	HJVHIXSDTFSCOV-PMPSAXMXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161102
OCC(n1nc(c2c1C=C(OC)CC=C2)C(=O)c1cc(OC)c(c(c1)OC)OC)CC1=CC2C(C=C1)(C2)OCc1ccccc1	PC-id_143234591	610.696	YCMOBOMLFNLMDD-UHFFFAOYSA-N	00100000100011110111010000000010000000000000000000000000	31-01-161103
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)CC)C(=O)OC	PC-id_18898025	610.698	UNWCJTVUZWXNFX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161104
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)C)C(=O)OCC	PC-id_18897960	610.698	ZJRGXCLFXDIMCG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161105
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)C)C(=O)OC	PC-id_18897961	610.698	OZVYVLZBSCIQOL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161106
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)C(=O)OCC	PC-id_18897995	610.698	YQNPYGVYYNEPKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161107
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18909208	610.785	RFZYMETVJRLGTR-QURGRASLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161125
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)C1CCOCC1	EMOLS-id_317486245,PC-id_137344068,MCULE-8636986190,ZINC22_1772713394	610.701	JFNFDDLNSNRQIX-NIJXNBFTSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161108
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)CN1CCOC1=O	PC-id_137345636,ZINC22_1772714382,EMOLS-id_317521322,MCULE-2937432029	610.704	OEHPKGWXLLLJNX-KCWPFWIISA-N	00000010100000110101000000000010000000000000000000000000	31-01-161109
CCC(c1c(ccc(c1)Cn1cnc2c1C(CCCC2)C(C)C=O)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)(F)F	SCHEMBL7839485,PC-id_88209616	610.714	RTJZWMDHZHTIFE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161110
CCCc1nc2c(n1Cc1ccc(c(c1)C(CC)(F)F)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	PC-id_53875741,SCHEMBL4773836	610.714	HGHAWBKEYQSFAP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161111
CCCc1nc2c(n1Cc1ccc(c(c1)C(CC)(F)F)c1ccccc1S(=O)(=O)Nc1onc(c1C)C)C(=O)CCCC2	PC-id_54205839,SCHEMBL4773965	610.714	PSKJWNYTQMBELC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161112
O=C1NCCN(C1)C(=O)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_24900887,SCHEMBL1322533	610.726	MCZPYHWIDUDTMO-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161113
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)[C@H]1COCCN1C	PC-id_137336970,MCULE-6304125961,ZINC22_1772704600,EMOLS-id_317482867	610.748	VAKDYXKZQSUUTR-SKVJQKLOSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161114
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)C(C)C	MCULE-5141207362,EMOLS-id_317457075,PC-id_137343549,ZINC22_1772713693	610.748	OSDTYVRUPSBSTK-WBWMCNGVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161115
O=C(c1ccccc1c1ccccc1)Nc1ccc(cc1OCCSc1nnnn1C)C(=O)N1CCCCc2c1ccs2	PC-id_139750510	610.749	AUSKRAQRZYKRAV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161116
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)ccc1OCc1ccc2c(c1)OCO2	ZINC22_408969318	610.762	LQGWKMDUPPSEFI-HASSKWOGSA-N	00000010100000110101000000001010000000000000000000000000	31-01-161117
CCc1nn(c2c1C(=O)NCCCOCCC2)CC(C)(C)COC(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1	SCHEMBL20288718,PC-id_135141688	610.764	YKYAYYAFGROMNV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161118
CN1CCN(CC1)C(=O)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL1322002,PC-id_24900435	610.769	DYXIIICRJBPTMU-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161119
CN1CCN(C(=O)C1c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_25234523,SCHEMBL1203797	610.769	HLFNROBMHOROFI-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161120
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)CC)C(=O)OCC	PC-id_18909572	610.784	PIPOZWAWYHFQMV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161121
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)CC)C(=O)OCC	PC-id_18911948	610.784	IWPCHMSNJCZVQL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161122
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18909207	610.785	IJPSCTMVTIPNSZ-QURGRASLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161123
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=Cc2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73470726	610.785	RFZYMETVJRLGTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161126
CC1=C(C=CCc2nn(cc2C1)CC1CCN(CC1)C(=O)c1ccc(cc1)Oc1ccc(cc1)C(C)(C)C)C(=O)NCCOC	PC-id_134188726,SCHEMBL19791606	610.786	FFKQVCUTOLBBGO-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-161127
CC(N1CCN(CC1)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_24900504,SCHEMBL1323121	610.812	KKMCIWSBSOSMCE-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161128
CCCCCCCC(=O)SCCC=CC1CC(=O)NCc2nc(cs2)C(=NC)SCC(=O)NC(C(=O)O1)C(C)C	PC-id_88954220	610.852	BOCKHCZGLBOOHP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161129
CCCCCCCC(=O)SCCC=CC1CC(=O)NCc2nc(cs2)C(=N)SCCC(=O)NC(C(=O)O1)C(C)C	PC-id_89096099	610.852	WIPCJYFAXDTGAQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161130
CCCCCCCC(=O)SCC/C=C/C1CC(=O)NCc2scc(n2)/C(=N/C)/SCC(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL12723945	610.852	BOCKHCZGLBOOHP-IPVQVVCCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161131
CCCCCCCC(=O)SCC/C=C/C1CC(=O)NCc2scc(n2)C(=N)SCCC(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL13469173	610.852	WIPCJYFAXDTGAQ-JKTFSHHVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161132
[Si](OC1CC(=O)Cc2oc(CC(CCC#C1)C(=C)C)c(c2)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_73093435	610.854	XCFZVFIWFYCAIU-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-161133
[Si](OC1CC(=O)Cc2oc(C[C@H](CCC#C1)C(=C)C)c(c2)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11767247	610.854	XCFZVFIWFYCAIU-MBCWZBCWSA-N	00000000100000110110000000000010000000000000000000000000	31-01-161134
CCCCCCCCCCCc1ccc([nH]1)/C(=C/1C(=CC(=N1)c1ccc[nH]1)OC)/c1c2cc([nH]1)CCCCCC[C@@H]2CCCC	PC-id_137123965	610.915	JOFJXRCNISTDPD-BDLVONNBSA-N	00000011110000000100100000000010000000000000000000000000	31-01-161135
N1=C(C=C/C/1=C(/c1[nH]c(cc1OC)c1ccc[nH]1)c1[nH]c2cc1C(CCCC)CCCCCC2)CCCCCCCCCCC	CNP0337620	610.915	OOHPMURDIUCNIG-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-161136
N1=C(C=C(OC)/C/1=C(c1ccc([nH]1)CCCCCCCCCCC)/c1[nH]c2cc1C(CCCC)CCCCCC2)c1ccc[nH]1	PC-id_139585244,CNP0351061	610.915	JOFJXRCNISTDPD-UHFFFAOYSA-N	00000011110000000100100000000010000000000000000000000000	31-01-161137
[N+](=C1C=CC(=C(c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)C=C1)(C)C	PC-id_15778703	610.933	ULZRQHXDTOSJPE-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-161138
O=C(C[C@@H](C(=O)C)Cc1cc(Cl)c(c(c1)C(F)(F)F)N)CCC1CCC(CC1)CCC1CCc2c(NC1=O)csc2	PC-id_143122254	611.158	JXXOWIABWLLRKB-UIPWJBHJSA-N	00000000100010110100000000000010000000000000000000000000	31-01-161139
Cc1cc(c(cc1C1CCN(CC1)C)OC(C)C)NC1=C[I-]c2n[nH]c(c2C(=N1)Nc1ccccc1)C	PC-id_163586567	611.2	ZBFWMPMLOPTTRL-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-161140
CCSC1(SCC)CCN(C(=O)c2c1n(Cc1ccccc1)cc2C)CCCN1CCN(CC1)c1ccc(cc1)Cl	SCHEMBL6768622,PC-id_22737931	611.304	RDSPMLZPJPJRJF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161141
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1ccc(nc1)C(F)(F)F	ZINC22_1772713499,PC-id_137342985,MCULE-6333224888,EMOLS-id_317502112	611.57	OFROJQYDQFMIFQ-ILWKUFEGSA-N	00000000100000101101000000000010000000000000000000000000	31-01-161142
BrC(=CC1OC(=O)C=CC=C(CC(OC(=O)CC(NC(=O)OC(C)(C)C)CC(c2nc(sc2)C1)C)C)C)C	PC-id_72521155	611.588	PJQJDZAUEUNRBO-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161143
Br/C(=C/[C@H]1OC(=O)C=CC=C(C[C@@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)C[C@@H](c2nc(sc2)C1)C)C)C)/C	PC-id_59115907	611.588	PJQJDZAUEUNRBO-XJDOMTGJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161144
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC)ccc(Cl)c1	PC-id_20123072	611.603	LNCCPSQMARFHCK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161145
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC)ccc(Cl)c1	PC-id_20122998	611.603	ZOPYZVGSWBIYOS-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161146
Brc1ccc(Cn2c3c(c(SC(C(=O)Nc4sc5c(CCCCC5)c4C(=O)OCC)C)c2)cccc3)cc1	PC-id_4612513	611.613	DEGCFYTWHXYZQU-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161147
c1(NC(=O)CCCS(=O)(=O)c2nc(cc(c3ccccc3OC)n2)C(F)(F)F)sc2c(CCCCC2)c1C(=O)OC	MCULE-8982496693,ZINC22_33356892,CoCoCo_2005070,TIMTEC364228,PC-id_17382011,EMOLS-id_7709584	611.653	OSASIBWKHBOCQZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161148
CC1n2cc[n+](c2CN(CC(=O)O1)C(C)(C)CC(C)(C)C(=O)NCCCCC(C(=O)O)NC(=O)NCC(=O)O)CC(=O)O	PC-id_90728740	611.665	MKGORAYHCZORSE-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-161149
CCOC(=O)C(CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)C(=NO)N)NS(=O)(=O)c1ccc(cc1)C	PC-id_88209961	611.669	KDAMAKDLZYTUTO-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161150
CCOC(=O)[C@H](NS(=O)(=O)c1ccc(cc1)C)CNC(=O)c1cc2n(n1)CCCN(C2=O)Cc1ccc(cc1)C(=N)NO	SCHEMBL7842910,PC-id_53988218	611.669	KDAMAKDLZYTUTO-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161151
S(=O)(=O)(NC(CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C(=NO)N)C(=O)OCC)c1ccc(cc1)C	PC-id_76412519	611.669	OLGZQDPLBQLMRP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161152
S(=O)(=O)(N[C@H](CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C(=NO)N)C(=O)OCC)c1ccc(cc1)C	PC-id_57084294	611.669	OLGZQDPLBQLMRP-HSZRJFAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161153
S(=O)(=O)(N[C@@H](CNC(=O)c1nn2CCCN(C(=O)c2c1)Cc1ccc(cc1)/C(=N/O)/N)C(=O)OCC)c1ccc(cc1)C	PC-id_9916942	611.669	KDAMAKDLZYTUTO-QHCPKHFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161154
S(=O)(=O)(N[C@](NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C(=NO)N)(C)C(=O)OCC)c1ccc(cc1)C	PC-id_57233710	611.669	DLIZSJOIJUXUHA-MUUNZHRXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161155
S(=O)(=O)(NC(NC(=O)c1nn2CCCN(C(=O)c2c1)Cc1cc(ccc1)C(=NO)N)(C)C(=O)OCC)c1ccc(cc1)C	PC-id_76496700	611.669	DLIZSJOIJUXUHA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161156
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC(=O)OC)ccc(F)c2)C(=O)OC	PC-id_5076875	611.683	YZPSDJDHXKVCEH-AZPGRJICSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161157
c1(SC(C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1c1ccc(cc1)F	MCULE-8446140971,PC-id_4413787,EMOLS-id_11051418	611.707	QAFUXYFFWMBPQS-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161158
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2ccco2)C)sc2c1CCCCC2	CoCoCo_2662302,PC-id_97991654	611.707	QAFUXYFFWMBPQS-KRWDZBQOSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161159
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_97991653,CoCoCo_2662301	611.707	QAFUXYFFWMBPQS-QGZVFWFLSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161160
c1(NC(=O)CSc2c3ccccc3n(CCNC(=O)c3c(cccc3F)F)c2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22702564,CoCoCo_1999999,MCULE-7891913240,PC-id_4123259	611.722	CUUCCINEMRUEON-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161161
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CCOCC)ccc(F)c2)C(=O)OC	PC-id_4559035	611.726	VCPILIRZXMZLQG-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161162
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CCOC)ccc(F)c2)C(=O)OCC	PC-id_4186190	611.726	AEHMTICAOYCKFR-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161163
O=C(c1ccccc1c1ccccc1)Nc1ccc(cc1OCCc1c[nH]c2c1cccc2)C(=O)N1CCCCc2c1ccs2	PC-id_139750501	611.752	FBRLFMNYKZLMJX-UHFFFAOYSA-N	00000000100000110100100001100010000000000000000000000000	31-01-161164
OC1CCN(CC1)C(=O)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_24900433,SCHEMBL1321889	611.754	UCLJBQCNJOMNQC-UHFFFAOYSA-N	00000000100010111100100000000010000000000000000000000000	31-01-161165
CC(N1CCN(CC1)c1ccc(nn1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	SCHEMBL1039476,PC-id_59557846	611.8	MAQDIHQXOYYMFZ-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161166
O=C(c1c2-c(c(CCCC(=O)O)c1)ccccc2)c1ccc(NC(c2ccc(CC(C)C)cc2)c2ccc(CC(C)C)cc2)cc1	SCHEMBL9383596,PC-id_67837449	611.812	LIFOIUMVCXDPCW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161167
O=C(c1c2-c(c(CCCC(=O)O)c1)ccccc2)c1cc(NC(c2ccc(CC(C)C)cc2)c2ccc(CC(C)C)cc2)ccc1	PC-id_67837793,SCHEMBL9384736	611.812	XBKMRDVDOUZGQO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161168
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)CC)C(=O)OCC	PC-id_19317802	611.838	KBTYVAWQCHZESA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161169
C[C@H]1C[C@@H]([C@@H]([C@H](C(=O)O[C@H]([C@H](CC/C=C(/C(=O)OCc2cn(C1)nn2)C)OC)CO[Si](C)(C)C(C)(C)C)C)OC)OC	PC-id_137655278	611.843	VJYAGKXJBPQMRW-XGVNOGEBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161170
CCCCn1c(C)c2c(c1C)C=CC(=CC=CC1=CC(=CC=Cc3ccc4-c(cc3)c([n+](c4C)CCCC)C)CC(C1)(C)C)C=C2	PC-id_102490700	611.921	STFXAVREPPMZDR-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-161171
N(c1ccc(C(c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)cc1)(C)C	PC-id_15778697	611.941	CFADJZBVSZVXOC-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161172
Clc1ccc(C(=O)Oc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/C)cc2)cc1	PC-id_19660782	612.093	GZNAGHOQEDHIJY-ATZGPIRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161173
Clc1ccc(C(=O)Oc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)cc2)cc1	PC-id_73635232	612.093	GZNAGHOQEDHIJY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161174
Clc1cc(C(=O)Oc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/C)cc2)ccc1	PC-id_19658751	612.093	YTZIITBUCLGSSM-ATZGPIRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161175
Clc1cc(C(=O)Oc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)cc2)ccc1	PC-id_73633252	612.093	YTZIITBUCLGSSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161176
Clc1c(cc(OCc2cc(ccc2OC)/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1C)C	PC-id_19658679	612.136	NEMDRNONEBJSSY-MHDJOFBISA-N	00000000100000110100000000000010000000000000000000000000	31-01-161177
Clc1c(cc(OCc2cc(ccc2OC)C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)cc1C)C	PC-id_73633180	612.136	NEMDRNONEBJSSY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161178
Clc1c(CNC(=O)N2C(CC(OC)C2)C(=S)NCCc2ncccc2)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_75010504	612.206	IKZPWUUGRFFROI-UHFFFAOYSA-N	00000010100000111100000000000010000000000000000000000000	31-01-161179
CO[C@@H]1C[C@@H](/C(=N/CCc2ccccn2)/S)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc34)cc2Cl)C1	CHEMBL182627,PC-id_44393911,BindingDB_PC-id_44393911	612.206	IKZPWUUGRFFROI-BVAGGSTKSA-N	00000010100000111100000000000010000000000000000000000000	31-01-161180
Brc1c(C(=O)Oc2cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_19661632	612.492	WJEMJWADHYKXOW-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161181
Brc1c(C(=O)Oc2cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_73636063	612.492	WJEMJWADHYKXOW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161182
Brc1ccc(CN2CC(NC(=O)c3nn(cc23)CCc2ccccc2)COC(=O)c2c3c(n(c2)C)cccc3)cc1	PC-id_75116415	612.516	DKQBNIVRQSVOHE-UHFFFAOYSA-N	00000000100000110101000001100010000000000000000000000000	31-01-161183
Cn1cc(C(=O)OC[C@H]2CN(Cc3ccc(Br)cc3)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc12	GD-id_ZINC49722616,PC-id_45486085,CHEMBL577974,BindingDB_PC-id_45486085	612.516	DKQBNIVRQSVOHE-RUZDIDTESA-N	00000000100000110101000001100010000000000000000000000000	31-01-161184
Clc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cc2)ccc1Cl	PC-id_19678700	612.611	OEAMOUPNQZFVIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161185
Clc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3sc4c(CCCCCC4)c3C(=O)OCC)cc2)cc(Cl)c1	PC-id_19680052	612.611	FSLWQXDODPYCDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161186
SCC1NC(=O)CNC(=O)Cn2nnc(NC(=O)C(NC(=O)CNC(=O)C(NC1=O)CCCN=C(N)N)CC(=O)O)c2	PC-id_74956492	612.619	IBJBFMNNDWWJBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161187
SC[C@@H]1NC(=O)CNC(=O)Cn2nnc(NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N)CC(=O)O)c2	PC-id_44224428	612.619	IBJBFMNNDWWJBI-SRVKXCTJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161188
O=C(c1cc(c2-c1ccccc2)C(=O)OCCOC(=O)c1ccc2-c1ccccc2)OCCOC(=O)c1ccc2-c1ccccc2	PC-id_101223601	612.624	ILWBQIXFMDKHPL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-161189
Ic1cc(c2-c1ccc(cc2)C(C)(C)C)C#Cc1cc(c2-c1ccc(cc2)C(C)(C)C)C#C[Si](C)(C)C	PC-id_101051089	612.658	SZMVEMXOJPHZHM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-161190
CCC1=Cn2nc(c(c2CC=C1)C(=O)N)OC1CC(C1)C[C@@H](NC(=O)c1nn(c2c1ccc(c2)OCC(O)(C)C)C(F)F)C	PC-id_142516570	612.667	NRWWCXZPANLDPD-OCDPCBSRSA-N	00001000100000100111000001000010000000000000000000000000	31-01-161191
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(C(=O)COC)CCNC(=O)Cn1nc(C)n2	ZINC22_1772714046,EMOLS-id_317492397,PC-id_137344320,MCULE-1396116000	612.72	XLWMRWLLUNCDDU-OSADXMDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-161192
CC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)CCCn2cc(CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC1=O)[C@@H](C)O)nn2	MCULE-9240777365,EMOLS-id_290031518,ZINC22_952869013	612.72	KNTDMCIYKRBLCL-BEPLIDGMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161193
s1c2CCCC(C(OP)C(C(=O)C(C(OP)CC(=O)OC(Cc2nc1C)/C(=C/c1nc(sc1)C)/C)(C)C)C)C	PC-id_21341883	612.721	HDUKIVKUMBWJSF-LFIBNONCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161194
s1c2CCCC(C(OP)C(C(=O)C(C(OP)CC(=O)OC(Cc2nc1C)C(=Cc1nc(sc1)C)C)(C)C)C)C	PC-id_73781976	612.721	HDUKIVKUMBWJSF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161195
s1c2c(nc1C)CCCC(C(OP)C(C(=O)C(C(OP)CC(=O)OC(C2)/C(=C/c1nc(sc1)C)/C)(C)C)C)C	PC-id_21341884	612.721	UVLIFJHSMUVUCN-LFIBNONCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161196
s1c2c(nc1C)CCCC(C(OP)C(C(=O)C(C(OP)CC(=O)OC(C2)C(=Cc1nc(sc1)C)C)(C)C)C)C	PC-id_73781977	612.721	UVLIFJHSMUVUCN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161197
CCCC(N1CCCn2c(C1=O)ccc2C(=O)N[C@H]([C@@H](CNCc1cccc(c1)C(F)(F)F)O)Cc1ccccc1)CCC	PC-id_25204789,SCHEMBL1937913	612.725	KJJLSXVCXMVPCW-QCENPCRXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161198
CCCC(N1CCCn2c(C1=O)ccc2C(=O)N[C@H]([C@H](CNCc1cccc(c1)C(F)(F)F)O)Cc1ccccc1)CCC	PC-id_67218236,SCHEMBL1937916	612.725	KJJLSXVCXMVPCW-IZEXYCQBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161199
FC(F)(F)c1cc(CNCC(O)C(NC(=O)c2n3CCCN(C(CCC)CCC)C(=O)c3cc2)Cc2ccccc2)ccc1	PC-id_74428294	612.725	KJJLSXVCXMVPCW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161200
CC1=C(C=CCc2nn(cc12)CC1CCN(CC1)C(=O)c1ccc(cc1)Oc1ccc(cc1)F)C(=O)NCC(C)OCC1CC1	SCHEMBL19791494,PC-id_134188619	612.734	UXOXQVKMYXYREN-UHFFFAOYSA-N	00100000100010110111000000000010000000000000000000000000	31-01-161201
S(=O)(=O)(NC(CNC(=O)c1nn2CCCN(CCC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)c2c1)C(=O)O)CCCC	PC-id_85228585	612.739	KVLNRTQQTRVKAU-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-161202
S(=O)(=O)(N[C@@H](CNC(=O)c1nn2CCCN(CCC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)c2c1)C(=O)O)CCCC	PC-id_10675263	612.739	KVLNRTQQTRVKAU-NRFANRHFSA-N	00000000100010000101000000000010000000000000000000000000	31-01-161203
C/C=C/1NC(=O)c2csc(n2)[C@@H](NC(=O)CC(OC(=O)C(NC1=O)C(C)C)/C=C/CCSC(=O)C)Cc1ccccc1	PC-id_145577504	612.76	WDNJEMTZIGANOI-IYGNCGQPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161204
N(c1ccc(N(c2ccc3-c(cc2)ccc3)c2ccc3-c(cc2)ccc3)cc1)(c1ccc2-c(cc1)ccc2)c1ccc2-c(cc1)ccc2	PC-id_11433492	612.76	LSVDMIFHQFDRIO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161205
COC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCCC2	PC-id_98420364,ZINC22_103141931	612.778	IRFGBWQQPBLAOB-VMBXEPDQSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161206
COC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCCC2	PC-id_98420366,ZINC22_103141934	612.778	IRFGBWQQPBLAOB-GPQLQYNLSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161207
COC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCCC2	PC-id_98420368,ZINC22_103141938	612.778	IRFGBWQQPBLAOB-NXLVEIQXSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161208
COC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCCC2	ZINC22_103141927,PC-id_98420362	612.778	IRFGBWQQPBLAOB-HIUFNZKISA-N	00000010100010110101000000000110000000000000000000000000	31-01-161209
COC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCCC2	ZINC22_108823395	612.778	IRFGBWQQPBLAOB-AQCRLBJHSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161210
COC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCCC2	ZINC22_108823398	612.778	IRFGBWQQPBLAOB-XWUOBKMESA-N	00000010100010110101000000000110000000000000000000000000	31-01-161211
COC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCCC2	ZINC22_108823401	612.778	IRFGBWQQPBLAOB-FCIYXJNOSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161212
COC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3F)n2[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCCC2	ZINC22_108823404	612.778	IRFGBWQQPBLAOB-BPBCIEFSSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161213
COC(=O)c1c(NC(=O)CSc2nnc(n2C(C2CC3CC2CC3)C)COc2ccccc2F)sc2c1CCCCC2	EMOLS-id_43678024,PC-id_16284475,MCULE-6906373389	612.778	IRFGBWQQPBLAOB-UHFFFAOYSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161214
COC(=O)c1c(NC(=O)CSc2nnc(n2[C@H]([C@H]2C[C@@H]3C[C@H]2CC3)C)COc2ccccc2F)sc2c1CCCCC2	CoCoCo_2785253	612.778	IRFGBWQQPBLAOB-ITTUMRLJSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161215
COC(=O)c1c(NC(=O)CSc2nnc(n2[C@@H]([C@@H]2C[C@H]3C[C@@H]2CC3)C)COc2ccccc2F)sc2c1CCCCC2	CoCoCo_2785254	612.778	IRFGBWQQPBLAOB-JBPLPALLSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161216
COC(=O)c1c(NC(=O)CSc2nnc(n2[C@@H]([C@@H]2C[C@@H]3C[C@H]2CC3)C)COc2ccccc2F)sc2c1CCCCC2	CoCoCo_2785255	612.778	IRFGBWQQPBLAOB-DYQZNNLLSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161217
COC(=O)c1c(NC(=O)CSc2nnc(n2[C@@H]([C@H]2C[C@H]3C[C@@H]2CC3)C)COc2ccccc2F)sc2c1CCCCC2	CoCoCo_2785256	612.778	IRFGBWQQPBLAOB-XWSHUIEDSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161218
COC(=O)c1c(NC(=O)CSc2nnc(n2[C@@H]([C@H]2C[C@@H]3C[C@H]2CC3)C)COc2ccccc2F)sc2c1CCCCC2	CoCoCo_2785257	612.778	IRFGBWQQPBLAOB-XAPVIXHLSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161219
COC(=O)c1c(NC(=O)CSc2nnc(n2[C@H]([C@@H]2C[C@H]3C[C@@H]2CC3)C)COc2ccccc2F)sc2c1CCCCC2	CoCoCo_2785258	612.778	IRFGBWQQPBLAOB-IIZPIQPGSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161220
COC(=O)c1c(NC(=O)CSc2nnc(n2[C@H]([C@@H]2C[C@@H]3C[C@H]2CC3)C)COc2ccccc2F)sc2c1CCCCC2	CoCoCo_2785259	612.778	IRFGBWQQPBLAOB-KEZQHZCBSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161221
COC(=O)c1c(NC(=O)CSc2nnc(n2[C@H]([C@H]2C[C@H]3C[C@@H]2CC3)C)COc2ccccc2F)sc2c1CCCCC2	CoCoCo_2785260	612.778	IRFGBWQQPBLAOB-CUXKYVRBSA-N	00000010100010110101000000000110000000000000000000000000	31-01-161222
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911321	612.801	CEEYEKXBYZDZGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161223
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(ccc2)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911453	612.801	OKMARKUJLFJFGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161224
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(cc2)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911585	612.801	FBOZJSBFPDWUKL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161225
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)Cc2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911057	612.801	RSLKSGAHKVVQMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161226
C1CCCc2c(CC1)n(nn2)C(n1nnc2c1CCCCCC2)(n1nnc2c1CCCCCC2)n1nnc2c1CCCCCC2	PC-id_102595460	612.815	GQIWNABXCSNXAP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161227
O=C(c1ccc([N+](c2ccc(CC(C)C)cc2)(c2ccc(CC(C)C)cc2)C)cc1)c1c2-c(c(c1)CCCC(=O)O)ccccc2	PC-id_67837451,SCHEMBL9383603	612.82	SNSCYYNOHUSYLQ-UHFFFAOYSA-O	00000010100000110110000000000010000000000000000000000000	31-01-161228
O=C(c1cc([N+](c2ccc(CC(C)C)cc2)(c2ccc(CC(C)C)cc2)C)ccc1)c1c2-c(c(c1)CCCC(=O)O)ccccc2	SCHEMBL9384743,PC-id_67837798	612.82	GPTTVTXHIKWUIE-UHFFFAOYSA-O	00000010100000110110000000000010000000000000000000000000	31-01-161229
CCOC(=O)c1[nH]c(CSCc2[nH]c(C(=O)OCC)c3c2CCCCCCCCCC3)c2c1CCCCCCCCCC2	ZINC22_100661498,MCULE-1429615390,PC-id_4097728	612.906	DQFFVVLEUJJMAC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-161230
OC(C[C@@H](C(=O)C)Cc1cc(Cl)c(c(c1)C(F)(F)F)N)CC1CCCC(CC1)CCC1CCc2c(NC1=O)csc2	PC-id_143122436	613.174	OLFWJXAMPSFGMS-UMMIIVTASA-N	00000000100000110100000000000010000000000000000000000000	31-01-161231
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(OCC)c1OCc1ccccc1Cl	ZINC22_409019813	613.209	XOBSDNQBWYPYOM-FNTLCPBMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161232
CCc1c(n2CC=C(CCCc2n1)/C(=C/C)/CCN(C)C(=O)OC(C)(C)C)N(C)C1NC(=CS1)CC(=C)CCCC(=C)F	PC-id_164134762	613.383	YQYCITWGDQEYFO-YFPQLKEESA-N	00000011100000000111000000000010000000000000000000000000	31-01-161233
CN1CCN(CC1)CCCNC(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I	SCHEMBL4513538,PC-id_69074423	613.53	ZOVVAKDKTYEFIK-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161234
CCOC(=O)COc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC	ZINC22_408972118	613.562	SGDGGBCJTPHFJA-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-161235
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCc2nnn(CC(=O)NC1Cc1ccccc1)c2	PC-id_74392728	613.626	IYEQKKNWTVIMTK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161236
O=C1N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)NCc2nnn(CC(=O)N[C@H]1Cc1ccccc1)c2	PC-id_25136803	613.626	IYEQKKNWTVIMTK-CEXWTWQISA-N	00000000100000110101000000000010000000000000000000000000	31-01-161237
O=CNc1ccc(cc1/C(=C/c1[nH]c2c(c1C)C(=O)N(CCC2)CCN(CC)CC)/C)SCc1c(Cl)cccc1Cl	PC-id_145511724	613.641	JHWNGAZZNFZRTL-HEHNFIMWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161238
NCCCC1n2nnc(c2)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N	PC-id_143644824	613.669	IAALIUROQNOSLF-GGQJKKPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161239
NCCC[C@@H]1n2nnc(c2)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N	PC-id_143644813	613.669	IAALIUROQNOSLF-OXKPJDFFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161240
NCCC[C@@H]1n2nnc(c2)C(Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N	PC-id_143644802	613.669	IAALIUROQNOSLF-MSGZJVNISA-N	00000000100000110101000000000010000000000000000000000000	31-01-161241
NCCC[C@@H]1n2nnc(c2)[C@H](Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N	PC-id_143644812	613.669	IAALIUROQNOSLF-ISQHHOFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161242
NCCC[C@@H]1n2nnc(c2)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC1=O)CCCNC(=N)N	PC-id_59798661,SCHEMBL14075671	613.669	IAALIUROQNOSLF-IWFBPKFRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161243
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(C(=O)NC(c2nnn(C1CCCN)c2)Cc1ccccc1)CC(=O)O	PC-id_72565071	613.669	IAALIUROQNOSLF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161244
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(nc1)C#N	EMOLS-id_317471872,ZINC22_1772703853,MCULE-2228587591,PC-id_137335647	613.71	FTMZUYHQMKGWQV-UHSQPCAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-161245
C1CCC(CC1)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCn2cc(C[C@@H](C(=O)N1)NC(=O)OCc1ccccc1)nn2)C(=O)S	PC-id_134823834	613.728	SKHNUGWCOHCDNV-HJOGWXRNSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161246
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700338,CoCoCo_2661441,MCULE-5200249570,PC-id_5177822	613.746	HBYVBWARSJOIEI-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-161247
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)C=Cc1ccccc1	MCULE-9349490468	613.75	XEYXUPMCISCYKH-NSJVFKKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161248
Cc1nc2n(n1)CC(=O)NCCCN(C(=O)/C=C/c1ccccc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C	PC-id_137334296,ZINC22_1772703449,EMOLS-id_317510262	613.75	XEYXUPMCISCYKH-IKBCFSOVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161249
CC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C	CHEMBL510830,CMNPD13257,SCHEMBL16431650,UNPD32630,PC-id_10865023	613.768	GPTJWGYTFCSLIR-CMDJPLBESA-N	00000000100000110101000000000010000000000000000000000000	31-01-161250
O=C1OC(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC(c2nc(cs2)C(=O)NC(CC)C1C)C)Cc1ccccc1)C(C)C)C	CNP0227573,PC-id_85294173	613.768	GPTJWGYTFCSLIR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161251
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC#C)ccc(c2)C(=O)OCC)C(=O)OCC	PC-id_3293871	613.768	HIKSLICTXHZLDQ-YCNYHXFESA-N	00000000100000100101000001000010000000000000000000000000	31-01-161252
OCCN1CCN(CC1)c1ccc(nn1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_59557878,SCHEMBL1038574	613.773	MNTFHSGSAKEOJN-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161253
CCC1CCCCCCCCc2cc1c(C=C1N=C(C=C1Oc1ccccc1C(=O)C(=O)c1ccccc1)c1cccn1C)n2C	SCHEMBL6585681,PC-id_69831126	613.788	UBIPJCBRPVWCBD-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-161254
c1(NC(=O)C(C)Sc2nnc(CNC(=O)COc3ccccc3)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2010761793,EMOLS-id_11051672,PC-id_4548563	613.791	QLBSPHDVIGXVCZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161255
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-6439524141,EMOLS-id_24429234,PC-id_4357374,CoCoCo_2661263	613.791	ORNVDWRNOMXFPF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161256
CCCCn1c(nnc1CNC(=O)COc1ccccc1)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2)C	CoCoCo_2662141,PC-id_97991718	613.791	QLBSPHDVIGXVCZ-HXUWFJFHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161257
CCCCn1c(nnc1CNC(=O)COc1ccccc1)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2)C	CoCoCo_2662142,PC-id_97991717	613.791	QLBSPHDVIGXVCZ-FQEVSTJZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161258
CC1CC=c2ccoc2=C(COC(=O)C=C1)OCCC[n+]1ccc(cc1)NC(=O)CCC=C(C)C=CC1=C(CCCC1(C)C)C	PC-id_91470030	613.806	KBSZUBNTQPFNKN-UHFFFAOYSA-O	00000000100011101110000000000010000000000000000000000000	31-01-161259
Cc1c(cccc1NC(=O)c1cc2c(s1)CCCCC2)c1cn(c(=O)c(c1)NC(=CC=C(CN1CCN(CC1)C)N=C)N)C	PC-id_88987485	613.816	KQASVZDWIRSUKZ-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161260
C=N/C(=CC=C(Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)/N)/CN1CCN(CC1)C	SCHEMBL12956388	613.816	KQASVZDWIRSUKZ-WVTXKSABSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161261
C(=Cc1c2c(c(s1)/C=C(C#N)/C(=O)Nc1ccc(cc1)[Si](OC)(OC)OC)OCC(CO2)(CCCCC)CCCCC)[2H]	PC-id_134849678	613.858	VCVJQDOYVHAWGI-PBLQENCESA-N	00000000100000110101000000000010000000000000000000000000	31-01-161262
CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCN1C(=O)CC(C)Cc2c(C1=O)n(C)cn2	PC-id_141831472	613.957	DOALRQUXYBPVBF-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161263
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2c2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700462,MCULE-6945365747,CoCoCo_2661526,PC-id_4459763	614.135	JDSYSVOUHAWXCL-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161264
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)CCOC	PC-id_5080300	614.154	QMKLMDKLQBVCCW-AZPGRJICSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161265
CC1=NN2CCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C2=N1)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=NN=C6N5CCCC6	PC-id_165421022	614.344	RTICFDQLEPPHHS-IZZNHLLZSA-N	00000000100010100101000001110010000000000000000000000000	31-01-161266
Brc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)C	PC-id_3593563	614.552	IEJHEDMEWFAEJJ-WNAAXNPUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161267
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409019795	614.627	XGQJHCADYLIVDO-OEPDXVHDSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161268
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409020025	614.627	YQIGSRVMTZBEBQ-OEPDXVHDSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161269
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409012090	614.627	HMLTXUGQCNXLBZ-OEPDXVHDSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161270
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409013971	614.627	LHGDWEJAMUNJRE-OEPDXVHDSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161271
Cc1cccc(NC(=O)c2c(/N=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)sc3c2CCCCCC3)c1C	ZINC22_409010217	614.627	BHICKAWULGKBFH-OEPDXVHDSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161272
Brc1ccc2-c(ccc2[C+](c2c3-c(cc2)ccc(Br)cc3)c2c3-c(cc2)ccc(Br)cc3)cc1	PC-id_10509433	630.187	QAHFBMWLWFPOAK-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-161780
Cc1cccc(NC(=O)c2c(/N=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)sc3c2CCCCCC3)c1C	ZINC22_409017549	614.627	SEDVUGYNFJDKPH-OEPDXVHDSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161273
Cc1ccc(NC(=O)c2c(/N=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)sc3c2CCCCCC3)cc1C	ZINC22_409010562	614.627	BZSVEOSZLAPRBO-OEPDXVHDSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161274
Cc1ccc(NC(=O)c2c(/N=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)sc3c2CCCCCC3)cc1C	ZINC22_409010633	614.627	CVVXZXNPUJZEOG-OEPDXVHDSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161275
s1c2c(CCCCC2)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_4863586	614.685	YFLUQRFCGDHXNA-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-161276
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)C1CCC1	ZINC22_1772713645,MCULE-1749842425,PC-id_137339469,EMOLS-id_317484960	614.691	NXUBSHVXZQEDCJ-KWTBFXGESA-N	00001000100000110101000000000010000000000000000000000000	31-01-161277
CC(C)[C@H]1CN(CC(=O)N[C@@H](Cc2ccccc2)c2nc(C)nn2CC(=O)N[C@H](C)C(=O)N1)C(=O)Cn1nc2ccccc2n1	PC-id_135108525,MCULE-3717453145,EMOLS-id_317328986	614.698	ZRRMUQYFCLDXBO-RFLWCCGPSA-N	00000000100000110101000001000010000000000000000000000000	31-01-161278
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)c1ccccc1)C(=O)OC	PC-id_18897662	614.731	PWLFOJNORUZBDH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161279
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-8977107723,PC-id_4079152,CoCoCo_2661121,EMOLS-id_22699800	614.736	HZFHTRWDLQAZNH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161280
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(OC)cc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18909999	614.774	HABIFQVSILFSAV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161281
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)ccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18909867	614.774	UUEKEFRCIYDYPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161282
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)COc2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18910923	614.774	YMFZUQHBZJQBTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161283
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(OC)cc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18910000	614.774	GDELUEZRMVXCDU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161284
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)ccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18909868	614.774	MCMYMOQBCMQDTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161285
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)COc2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18910924	614.774	GWSIBHWEXUBORQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161286
FCCN1CCN(CC1)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_59740576,SCHEMBL1322640	614.776	PLSKZRSWTJCIQU-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161287
s1cc2nc1C[C@H](OC(=O)C#C/C=C(/C[C@@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)C)C)/C=C(/C=C/CCCO)C	PC-id_11377029	614.793	FIRMTMFBRTXYMN-ZYHOIWDTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161288
s1cc2nc1CC(OC(=O)C#CC=C(CC(OC(=O)CC(NC(=O)OC(C)(C)C)CC2C)C)C)C=C(C=CCCCO)C	PC-id_72823052	614.793	FIRMTMFBRTXYMN-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161289
CCC(C(=O)Nc1ccc(cc1)CCCc1nnc2n1N=C(C(C(=O)N2)C)C)Oc1c(cc(cc1)C(C)(C)CC)C(C)(C)CC	PC-id_135843135	614.821	MFRDQMHKRNJSJG-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-161290
s1c2CCCCCc2c(c1NC(=O)CSc1sc(SCC(=O)Nc2sc3CCCCCc3c2C#N)nn1)C#N	PC-id_3317456	614.849	UGZMXRLMZFOXDJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161291
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)NC)C(=O)NC	PC-id_43947642	614.862	BZUPCIAWBOMRTD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-161292
Cc1c(cccc1NC(=C)c1cc2c(s1)CCCCC2)c1cn(c(=O)c(c1)NC(=CC=C(N(C)C)N(C)CCN(C)C)C)C	PC-id_88987412	614.887	QUJYKGZSUVLQTR-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-161293
CN(CCN(/C(=C/C=C(/Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=C)c1cc2c(s1)CCCCC2)C)/N(C)C)C)C	SCHEMBL12956110	614.887	QUJYKGZSUVLQTR-UIBPDOIPSA-N	00000000100000111100100000000010000000000000000000000000	31-01-161294
CCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC1CCC(=O)c2c(N(C1=O)C)ncn2C	PC-id_141831477	614.945	VAAMXWZCUFEBHN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161295
CCOC(=O)C1=C(n2cccc2[C@H]([C@@H](C1)C(=O)c1ccc(cc1)c1ccccc1)Nc1ccc(cc1)Cl)C(=O)c1ccccc1	PC-id_122209805	615.117	ZINZQTJWEHNCAA-FJQKOURKSA-N	00000000100000110110100000000010000000000000000000000000	31-01-161296
CC(C)(C)C1=C2C(=C(S1)C(C)(C)N)OCC(CO2)OC(=O)CCCCOC3=CC=C(C=C3)C4=CC=C(C=C4)Br	PC-id_163601487	615.165	GYASQBUDPNMXIW-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161297
ClCc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)CCc1ccc(cc1)C(=O)OC)CCCCCC2	PC-id_90377656,SCHEMBL15997281	615.181	YBLRHZVRMZXESS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161298
CCOc1cc(N2CCN(C(=NCCc3ccc(Cl)cc3Cl)NCc3noc4c3CCCCC4)CC2)ccc1[N+](=O)[O-]	ZINC22_1875320001,PC-id_146096695	615.551	CBBWUHKCURESFW-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161299
C1CCc2c(C(C1)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N)c(n[nH]2)C(F)(F)F	PC-id_89350659	615.569	IBAZGENRHIPLMB-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-161300
C1CCc2c(CC1)n(nc2C(F)(F)F)CC(=O)NC(Cc1cc(cc(c1)F)F)c1c(cccn1)c1cc(c(cc1)F)C(=O)N	PC-id_86719877,SCHEMBL15708452	615.569	HDPQCELXTLXPKL-UHFFFAOYSA-N	00000000100000111101100000000010000000000000000000000000	31-01-161301
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)NC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F	SCHEMBL14555574	615.569	HDPQCELXTLXPKL-VWLOTQADSA-N	00000000100000111101100000000010000000000000000000000000	31-01-161302
O=C(CC1CCCCc2c1c(n[nH]2)C(F)(F)F)N[C@H](c1ncccc1c1ccc(c(c1)C(=O)N)F)Cc1cc(F)cc(c1)F	SCHEMBL14484921	615.569	IBAZGENRHIPLMB-LYIYLXCWSA-N	00000000100000111101100000000010000000000000000000000000	31-01-161303
CC(c1ncc(s1)C(=O)Nc1cc(CCCN2CCOCC2)cc(c1)C(F)(F)F)NC(=O)C1=NC=CCc2c1cnn2C	PC-id_145547522	615.67	DONPPCFIAITCHA-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-161304
C1c2cn(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc1ccc(cc1)O)CCCCN)Cc1c[nH]c3ccccc13)nn2	PC-id_137661262	615.683	GLWBLJFCAKJDGK-QKDODKLFSA-N	00000000100000110101000001100010000000000000000000000000	31-01-161305
Fc1cc(NC(=O)c2cc3c(s2)CCCCC3)c(c(c1)c1cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c(=O)n(c1)C)C	SCHEMBL1322630,PC-id_24900890	615.718	DRIZMFXCIIVBMO-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161306
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18910790	615.719	ZGJRCGAYFOUQGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161307
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18910658	615.719	AYIJHOBLDUVDAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161308
C=NOCCOC1(OCC)CCCCCc2c1nnn2CCn1nnc(c1/C=C/c1ccccc1)COCc1ccc(cc1)O	PC-id_140702323	615.723	ZLLHUQPKCKDILN-OBGWFSINSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161309
C=NOCCOCCOC1CCCCCc2c1nnn2CCn1nnc(c1/C=C/c1ccccc1)COCc1ccc(cc1)O	PC-id_140702337	615.723	YQPHZHCSQQGKPV-SAPNQHFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-161310
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cc(cn1C)C#N	MCULE-9183391624,PC-id_137344101,EMOLS-id_317493418,ZINC22_1772713545	615.726	PADGTYCBVICUEF-IRPSRAIASA-N	00000000110000110101000000000010000000000000000000000000	31-01-161311
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)c1cc3ccccc3s1)CC(=O)N[C@H]2Cc1ccccc1	EMOLS-id_317333908,PC-id_135115162,ZINC22_1704321732,MCULE-8435115934	615.746	XMRDGVHFOIIBIY-DCEDVJGZSA-N	00000000100000110101000001000010000000000000000000000000	31-01-161312
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC=C)ccc(c2)C(=O)OCC)C(=O)OCC	PC-id_4570695	615.784	CSWBLPGXYMXDGD-YCNYHXFESA-N	00000000100000100101000001000010000000000000000000000000	31-01-161313
CCCCCC/C/1=Cc2coc(n2)[C@H](C)[C@H](O)C[C@H](O)/C=C/C=CC[C@@H]([C@H](OC1=O)C(C(C(/C(=C/C(=CC)/C)/C)O)C)O)O	PC-id_102585139	615.797	AWCISIDKHHUYHY-PBDKRWNISA-N	00000000100000000111000000000010000000000000000000000000	31-01-161314
CCCCCC/C/1=Cc2coc(n2)[C@H](C)[C@H](O)C[C@H](O)/C=C/C=CC[C@@H]([C@H](OC1=O)C(C(C(/C(=C/C(=C/C)/C)/C)O)C)O)O	PC-id_102585140	615.797	AWCISIDKHHUYHY-PFUSMVPYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161315
CCC1CCCCCCCCc2cc1c(C=C1N=C(C=C1OC(=O)C(c1ccccc1)(c1ccccc1)O)c1cccn1C)n2C	SCHEMBL6585684,PC-id_88014344	615.804	QFOYYCXYVIRFCG-UHFFFAOYSA-N	00000011110000110100100000000010000000000000000000000000	31-01-161316
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19317508	615.828	DMPFBPVZTXUZRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161317
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)c1ccccc1)C(=O)OC	PC-id_19317639	615.828	UQGUDGSPROEPQY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161318
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19317509	615.828	IOUSTVDHRLIDEY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161319
c1(SC(C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccs2)n1C1CCCCC1	EMOLS-id_22701254,PC-id_5072951,MCULE-6322497037	615.83	VWGCDEWCTKZVHW-UHFFFAOYSA-N	00000000100110000101100000000010000000000000000000000000	31-01-161320
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2cccs2)C)sc2c1CCCCC2	CoCoCo_2662247,PC-id_98229461	615.83	VWGCDEWCTKZVHW-SFHVURJKSA-N	00000000100110000101100000000010000000000000000000000000	31-01-161321
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2C2CCCCC2)CNC(=O)c2cccs2)C)sc2c1CCCCC2	CoCoCo_2662248,PC-id_98229460	615.83	VWGCDEWCTKZVHW-GOSISDBHSA-N	00000000100110000101100000000010000000000000000000000000	31-01-161322
C1COc2c([nH]c(c2OC1)C(=O)NCCSSC(=O)C(CS)N)C(=O)NCCSSC(=O)C(CS)N	PC-id_88907359	615.853	WKBXMKBNHIOPEC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161323
SC[C@@H](C(=O)SSCCNC(=O)c1[nH]c(c2c1OCCCO2)C(=O)NCCSSC(=O)[C@H](CS)N)N	SCHEMBL12334789	615.853	WKBXMKBNHIOPEC-QWRGUYRKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161324
O(CCCCCCCC)c1ccc(/N=N/c2ccc3-c(nc(n3)NC(=O)CCCCCCCCCCCCCCC)cc2)cc1	PC-id_85993436	615.891	VCUZAOSHRKOLHA-HBSCQBRPSA-N	00000010100000110111000000000010000000000000000000000000	31-01-161325
Clc1c(COc2c(OCC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc(F)c1	PC-id_19660729	616.1	ULVJRDQESJKXTQ-MHDJOFBISA-N	00000000100000110100000000000010000000000000000000000000	31-01-161326
Clc1c(COc2c(OCC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc(F)c1	PC-id_73635180	616.1	ULVJRDQESJKXTQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161327
Clc1c(COc2c(OCC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)c(F)ccc1	PC-id_19661369	616.1	YIPMWWGYOLULKF-MHDJOFBISA-N	00000000100000110100000000000010000000000000000000000000	31-01-161328
Clc1c(COc2c(OCC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)c(F)ccc1	PC-id_73635803	616.1	YIPMWWGYOLULKF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161329
Clc1c(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)cc2)c(F)ccc1	PC-id_5064770	616.1	CYOKXHSHDHGQML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161330
Clc1c(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/C)cc2)c(F)ccc1	PC-id_9606023	616.1	CYOKXHSHDHGQML-KVAAJVFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161331
ClN[C@H](C(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C)C(C)C	SCHEMBL19636617	616.193	OYNGDCIMHRLYRL-IQGTVIFDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161332
ClN[C@@H](C(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C)C(C)C	SCHEMBL19636772	616.193	OYNGDCIMHRLYRL-QLAFUNORSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161333
C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N[C@@H](C(=O)OC1C(C)C)CC3=CNC4=CC=CC=C43)O)/C	PC-id_155208510	616.29	VZFBDTNCKFJCGZ-ZGOZFJKESA-N	00000000100000100111000001100010000000000000000000000000	31-01-161334
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Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn(Cc2cc(Cl)c(Cl)cc2)c1	PC-id_20172736	616.421	JRZUJEIKJUXGHK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161336
Brc1c(NC(=S)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn(Cc2c(Cl)cc(Cl)cc2)c1	PC-id_20172981	616.421	JONCNQIUAZKXBZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161337
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NCCNC(=O)OC(C)(C)C)cc1	SCHEMBL4503197,PC-id_69069806	616.487	MOMDNMJBKRHPOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161338
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(I)c1OC	ZINC22_408964586	616.553	VNZZSZSTCHGWRZ-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161339
CCOc1c(I)cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1OC	ZINC22_408969281	616.553	KNQDKIFJNVLXDS-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161340
s1c2c(CCCCCC2)c(c1NC(=S)Nc1cc(OCC(F)(F)C(F)F)cc(OCC(F)(F)F)c1)C(=O)OCC	PC-id_20166379	616.612	DDPXQQAVAZKIRB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161341
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CC1/C=C/C(=O)NC/C=C/C(=C/C(CC(=O)Cc2nc(co2)C(=O)NC(C(=O)OC1C(C)C)Cc1c[nH]c2ccccc12)O)/C	PC-id_137477041,SCHEMBL20718265	616.704	VZFBDTNCKFJCGZ-PMAQCJNWSA-N	00000000100000100111000001100010000000000000000000000000	31-01-161344
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s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(F)cccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18910133	616.765	VINMKNPZPYLKLP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161352
O=C(c1cnc(s1)C(C)(C)C)NCc1ccc(cc1C)c1ncnc(c1)Nc1cc2n(n1)CCCN(C2)C(=O)OC(C)(C)C	PC-id_118155965,SCHEMBL16814172	616.777	KEKPMJCTXZMVIE-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161353
Cc1c(cccc1c1cc(Cc2ccc(cn2)N2CCS(=O)(=O)CC2)c(=O)n(c1)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_143646103	616.793	PUOGKENUWTXFEF-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161354
s1cc2nc1C[C@H](OC(=O)C=CC=C(C[C@@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)C)C)/C=C(/C=C/CCCO)C	PC-id_11763448	616.808	FRLXZUNXFAFVGS-DTLROMAVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161355
s1cc2nc1CC(OC(=O)C=CC=C(CC(OC(=O)CC(NC(=O)OC(C)(C)C)CC2C)C)C)C=C(C=CCCCO)C	PC-id_73090877	616.808	FRLXZUNXFAFVGS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161356
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C(=O)OC	PC-id_4494476	616.832	QRBYLCKSAKGVDT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-161357
s1c2c(CCCCC2)c(c1NC(=O)CCCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCCC)C(=O)OCCC	PC-id_4132829	616.832	VHTSZNPDSOLNCG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-161358
s1c2c(CCCCC2)c(c1NC(=O)CCCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC(C)C)C(=O)OC(C)C	PC-id_4160751	616.832	FFHUWUHFMGRWNK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-161359
s1c2c(CCCCCC2)c(c1NC(=O)CCCCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C(=O)OCC	PC-id_3715343	616.832	LRODZPHMIIRCBZ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-161360
C=C/C(=CC=CNC(=O)/C(=C/N)/C=CC(C)C)/C(=O)N1CCc2cc(sc2C/C=CC=C/C1C)C(=O)NCc1cccs1	PC-id_144119814	616.836	YMKZSKDUWUKWHQ-ZIXAIRMCSA-N	00000000100100000110000000000010000000000000000000000000	31-01-161361
CN1CC(CC(C1O)Nc1ccc(cn1)N1CCN(CC1)C(C)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_143646096	616.86	MUGMZIJNXGKDFH-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161362
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)C	PC-id_155171343	617.288	VGKUBMVLWOEWOM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161363
CCN1C2=C(CCCOCCCNC2=O)C(=N1)CC(C)(C)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C(=O)C	PC-id_155171367	617.288	PEKYSQRQKIWNNA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161364
Cc1cc(c(cc1C1CCNCC1)OC(C)C)N/C/1=CCCCC(=Nc2ccccc2S(=O)(=O)C(C)C)c2c(N1)[nH]cc2C	PC-id_164147345	617.34	BAJXSEJLVOUJAY-QOXXAGHTSA-N	00000000100010110110100000000010000000000000000000000000	31-01-161365
CC(C)OC(=O)ON1CCCC(c2c1cc(s2)Br)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C	PC-id_87725917,SCHEMBL4771119	617.399	LFTXVRFDEQFTID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161366
CCCOCCOCCOCCOCCNC(=O)COC1CCCCCC2=C1N=NN2CCOCCOCCOCCN	PC-id_164702910	617.4	YSMOIQNURUNDEW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161367
C=CC=N/C(=C/c1ccc(c(c1)C(=O)N)F)/[C@@H](NC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)Cc1cc(F)cc(c1)F	PC-id_118357908	617.585	RNJGGHYOHYCNAW-XNXYZGTBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161368
C=C/C=NC(=Cc1ccc(c(c1)C(=O)N)F)[C@@H](NC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F)Cc1cc(F)cc(c1)F	SCHEMBL17067160	617.585	RNJGGHYOHYCNAW-BIAGSKETSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161369
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCc1ccccc1	ZINC22_408972559	617.596	VDRNTJYTHXYYMN-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161370
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1OCc1ccc(Br)cc1	ZINC22_408970208	617.596	CPJHTSOPYXKAOF-XICOUIIWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161371
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCc1ccc(C)cc1	ZINC22_408970978	617.596	BVSKQUGHHOEXMT-JEPNHJGPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161372
COC(=O)C1CC(=O)OC(C)(C)COCn2nnnc2CCC(C(=O)N[C@H](C(=O)N1)C(C)C)NC(=O)OCc1ccccc1	PC-id_141994203	617.651	DLBPZUNKXGFXIP-XPJNUEMQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161373
FC(F)(F)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NCn2nnc(CCC(=O)NCCCC1)c2)CCCCN)CCCN=C(N)N	PC-id_73213991	617.667	DKMWJEZKCGKRLB-FHWLQOOXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161374
FC(F)(F)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NCCn2nnc(CNCCCC1)c2)CCCN=C(N)N)CCCN=C(N)N	PC-id_73214132	617.671	XVQCVCOBROHTCF-BZSNNMDCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161375
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)CC(=O)N(C)C	EMOLS-id_317490592,PC-id_137343639,MCULE-4631256441,ZINC22_1772713965	617.695	VQARDLBLNVCCDK-BYXVTNLJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161376
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CN(C)C	EMOLS-id_317510265,ZINC22_1772701296,MCULE-6727939341,PC-id_137336040	617.695	KHPGJODQOCMMFV-BYXVTNLJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161377
Cn1cc(cc(c1=O)Nc1ncc(cc1)N1CCSC(=O)C1=O)c1c(c(ccc1)NC(=O)c1cc2c(s1)CCCCC2)F	PC-id_87602638	617.714	NQDYUCKUXUWFKI-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161378
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1c(C)ncnc1C	EMOLS-id_317481870,ZINC22_1772706348,PC-id_137337815,MCULE-2872338319	617.742	YZMYFYCAJYNPGZ-IRPSRAIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-161380
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CCc3cnccn3)CCCNC(=O)Cn1nc(C)n2	ZINC22_1772705664,PC-id_137337787,MCULE-2434956888,EMOLS-id_317480578	617.742	VFDDKLQZFWAEJO-VIZCGCQYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161381
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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Cc1c(cccc1c1cc(Nc2ccc(cn2)N2CCS(=O)(=O)CC2)c(=O)n(c1)C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL12118122,PC-id_59740608	617.781	OUCRULOKRXKZDE-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161383
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2Cc2ccccc2)sc2CCCCCc12	CoCoCo_2661328,EMOLS-id_22700152,PC-id_4450196,MCULE-8909965311	617.781	MRMGTYWIICIZLU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161384
O=C1N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)CCCCCCc2[nH]cc(C(=O)N[C@H]1CCCCN)c2)C=O	PC-id_73056895	617.783	FXZVBLLRBWWNLU-SDHOMARFSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161385
OC(C(NC(=O)C(Cc1[nH]cnc1)CC(=O)c1cc2-c(ncc2)ccc1)CC1CCCCC1)CC(C(C)C)C(=O)NCCCC	PC-id_76688377	617.821	PKWGPAWJZWOYPV-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-161386
O[C@H]([C@@H](NC(=O)[C@H](Cc1[nH]cnc1)CC(=O)c1cc2-c(ncc2)ccc1)CC1CCCCC1)C[C@@H](C(C)C)C(=O)NCCCC	PC-id_58153543	617.821	PKWGPAWJZWOYPV-UUDACMSVSA-N	00000010100010000111000000000010000000000000000000000000	31-01-161387
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CC3=CC[C@@H]4C(C)(C)[C@H]3C4)CCCNC(=O)Cn1nc(C)n2	PC-id_137341423,MCULE-2738577784,ZINC22_1772713735,EMOLS-id_317500333	617.825	RGYJGTVLFOSNDY-PBLVZDHJSA-N	00001000100011110101001000000010000000000000000000000000	31-01-161388
CCN1CC(Cc2c(C1)c(n[nH]2)C(C)C)CC(C)c1n[nH]c2c1CN(CCC2)C(C)Cn1c2c(CN(CCC2)C)c(n1)C(C)C	SCHEMBL20462844,PC-id_135296161	617.914	YSOGCCFSLCCFQE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161389
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NCCC1COC(O1)(C)C)Nc1c(cc(cc1)I)Cl)C	PC-id_90916501	617.927	UJMVHIZALDHNAX-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-161390
CCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCN1C(OO)CC(C)Cc2c(C1=O)n(C)cn2	PC-id_141831492	617.946	ZDCWXZQCFGTATP-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161391
CI1C=CC=CC2=C1C(=C(S2)CCC(/C=C/[C@H]3CC(C(=O)[C@@H]3C/C=CCCCC(=O)O)O)O)Cl	PC-id_164163752	618.07	WIELZGVAVYSYGR-ZVIGSUJOSA-N	00000010100000000110000000000010000000000000000000000000	31-01-161392
CC1C/C(=C/C=CC(=O)OC(CC2=NC(=CS2)CCC(CC(=O)O1)CS(=O)(=O)C)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	PC-id_147116259	618.28	BNLYWDQYGZUYLF-RLCZUXNFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161393
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(I)c1OCC(=O)O	ZINC22_408971085	618.483	LUHDKXZVJWXRTK-WKULSOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161394
Clc1c(COc2c(OC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc(Cl)c1	PC-id_19659002	618.528	KHGWUWDHFPWIGO-VWJSQJICSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161395
Clc1c(COc2c(OC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc(Cl)c1	PC-id_73633499	618.528	KHGWUWDHFPWIGO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161396
C/C=C(/OC1=Cc2nc(n(c2C=CC1)C)NC1=CC(=CCC=C1F)C(F)(F)F)C/C=C(/NC(=O)CCCN1CCOCC1)N	PC-id_143037920	618.665	XIIRVHCMDCJKBL-QSJKUOBESA-N	00000000100010000111000000000010000000000000000000000000	31-01-161397
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1ccc(c(OC)c1OC)OC	EMOLS-id_317516905,PC-id_137334671,ZINC22_1772700682,MCULE-9988246534	618.679	DAFGGKOQRDRALM-TXKCWOHGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161398
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CCOC	ZINC22_1772714388,PC-id_137345154,MCULE-7384008269,EMOLS-id_317514926	618.68	OLRZAFVSOAHUQC-BYXVTNLJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161399
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)COCC	PC-id_137337983,MCULE-5394054068,EMOLS-id_317494911,ZINC22_1772705457	618.68	MTOSRXXUVFAUJQ-BYXVTNLJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161400
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1cnc(nc1)C	EMOLS-id_317508782,ZINC22_1772714484,PC-id_137340118,MCULE-6680374059	618.683	SQPBWOOYBGPHJO-UKDVSSAZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161401
CC(OC(=O)C1=CN(CC(c2c1[nH]c(c2C)N(C(=C)C(F)(F)F)C)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	PC-id_145409499	618.687	ILRGTQLUGHKAAM-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-161402
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(=O)n(C)c1	ZINC22_1772713141,EMOLS-id_317491108,MCULE-1009153128,PC-id_137338541	618.726	FZXIKZHUZOVLFV-IRPSRAIASA-N	00000000100000111101000000000010000000000000000000000000	31-01-161404
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccnc(OC)c1	PC-id_137335668,EMOLS-id_317484426,MCULE-7265808832,ZINC22_1772702732	618.726	CZQFZDINOISNMR-IRPSRAIASA-N	00000000100000111101000000000010000000000000000000000000	31-01-161405
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1nccc(OC)c1	PC-id_137337901,ZINC22_1772702756,EMOLS-id_317491825,MCULE-3357760013	618.726	VHJBHSAZAYVKHO-IRPSRAIASA-N	00000000100000111101000000000010000000000000000000000000	31-01-161406
C1CCc2c(CC1)sc(c2)C(=O)Nc1cccc(c1F)c1c[nH]c(=O)c(c1)CNc1ncc(cc1)N1CCN(CC1)CCF	PC-id_87602120,SCHEMBL3960660	618.74	DAADYBPKEFQQJR-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161407
FCCN1CCN(CC1)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1F)NC(=O)c1cc2c(s1)CCCCC2	PC-id_59740577,SCHEMBL1322639	618.74	RFLUZEBIPQAVQF-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161408
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)c1ccccc1)C(=O)OC	PC-id_18897926	618.763	CNFVDEPFRVPHIM-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-161409
CCCc1nc2c(n1Cc1ccc(c(c1)COC(C)(C)C)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	SCHEMBL4764641,PC-id_69179832	618.786	AXNWMHQSRJIUHN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161410
CCCc1nc2c(n1Cc1ccc(c(c1)COC(C)(C)C)c1ccccc1S(=O)(=O)Nc1onc(c1C)C)C(=O)CCCC2	PC-id_69181862,SCHEMBL4769609	618.786	DWJLUYSBLXWOOX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161411
COc1c(cc(cc1NS(=O)C)C1(C)CC1)NC(=O)c1cc2=CCCCC(=c2n1C)Oc1ccnc(c1)N1CCN(CC1)C	PC-id_143133957	618.789	KIVAGYXROQIMSQ-UHFFFAOYSA-N	00100000100010111111100000000010000000000000000000000000	31-01-161412
CCCCNC(=O)[C@H](C(C)C)C[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)c1cccc2-c(c1)ccn2)Cc1nc[nH]c1)CC1CCCCC1)O	SCHEMBL12921159,PC-id_57811293	618.809	RDRDKQIOFDHVOX-MCEBTLFFSA-N	00000010100010000111000000000010000000000000000000000000	31-01-161413
OC(C(NC(=O)C(NC(=O)c1cc2-c(ncc2)ccc1)Cc1[nH]cnc1)CC1CCCCC1)CC(C(C)C)C(=O)NCCCC	PC-id_76618107	618.809	RDRDKQIOFDHVOX-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-161414
C(Cc1c2-c(ccc(c1)CCc1cc(c3-c(cc1)ccc3)C)ccc2)c1c2-c(ccc(c1)CCc1cc(c3-c(cc1)ccc3)C)ccc2	PC-id_10555837	618.847	KTJDTJZHNDTUSA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-161415
CCCCOC[C@H]1O[C@@H](c2cccc(c2)Cc2cc(c3-c2ccccc3)C)[C@@H]([C@H]([C@@H]1OCCCC)OCCCC)OCCCC	PC-id_71219324,SCHEMBL14621540	618.886	RGFKVCNMZUGJDN-CSISHVCHSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161416
O1C(C(OCCCC)C(OCCCC)C(OCCCC)C1c1cc(ccc1)Cc1c2-c(c(c1)C)ccccc2)COCCCC	PC-id_78039506	618.886	RGFKVCNMZUGJDN-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161417
CCCCCCCCCCCCN(CC(OC(=O)C)CCCCCCCCC[C@@H]1CCC(=O)c2c(NC1O)ncn2C)CC	PC-id_141831462	618.934	AOPMZSUZFOQFMV-FJGSZFSXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161418
CI1C=CC=CC2=C1C(=C(S2)CCC(/C=C/[C@H]3CC(C(=O)[C@@H]3C/C=CCCCC(=O)O)O)O)[ClH+]	PC-id_164163751	619.078	ZPFZHKKECICUKW-ZVIGSUJOSA-O	00000010100000000110000000000010000000000000000000000000	31-01-161419
COC(=O)c1cc(c2-c1ccc(cc2)C(CN1C(=O)c2c(C1=O)cccc2)C)CCCCNS(=O)(=O)c1ccc(cc1)Cl	PC-id_139605629	619.127	SLRSIQILGUCNJX-UHFFFAOYSA-N	00000010100000110110000000001010000000000000000000000000	31-01-161420
Clc1ccc(CC(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)c3ccccc3)ccc2)cc1	PC-id_18909470	619.193	XGDDIHPEEJTFFI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161421
Clc1cc(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)c3ccccc3)ccc2)ccc1	PC-id_18910527	619.193	CFYFKYFDNGNURM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161422
Clc1cc(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)c3ccccc3)ccc2)ccc1	PC-id_18910528	619.193	RDBJVWQGMBZLGL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161423
[Bi](c1c(Cl)c2-c(c1Cl)ccccc2)(c1ccc(OC)cc1)c1ccc(OC)cc1	PC-id_86021051	619.293	NNBBMLIHXRQXSM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161424
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)C)cc1	PC-id_19638163	619.593	ARTLPLGDRSFXOP-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161425
Brc1ccc(OC(c2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)C)cc1	PC-id_19638083	619.593	KHNQYUCWNBNRSE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161426
Clc1c(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)CC)ccc2)ccc(Cl)c1	PC-id_18909308	619.622	VSGYXBFHCCZUJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161427
CC(C1NCCN(C1)/C(=C(N(Cc1ccccc1Cl)Cc1ccccc1Cl)/N)/N=C(/C1C=CC=c2c(=C1)c(C)n[nH]2)N)C	PC-id_143269835	619.63	OVBRXOGOUUVNJY-KARKAFJISA-N	00000000100010110111000000000010000000000000000000000000	31-01-161428
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1cc(on1)C1CC1	MCULE-8451299436,EMOLS-id_317506469,PC-id_137341447	619.711	ZZPMPOGKJXFXGD-LIKDZFNVSA-N	00100000100000110101100000000010000000000000000000000000	31-01-161429
O=C1N[C@@H](CCCCNC(=O)CCCn2nnc(C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@H]1CCCN=C(N)N)c2)C=O	PC-id_73213555	619.72	YKYULCVMGVNYSW-FHWLQOOXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161430
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OC)ccc(c2)C(=O)OC)C(=O)OC	PC-id_5095212	619.729	YNKRPBCOPWDQSI-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161431
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cc(nn1CC)C	ZINC22_1772713289,PC-id_137341529,MCULE-6413446246,EMOLS-id_317457595	619.758	CELXXWLTANHVTP-IRPSRAIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-161433
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cn1c(C)cc(C)n1	ZINC22_1772714190,PC-id_137341660,MCULE-9596927191,EMOLS-id_317510561	619.758	FDJRLVRSQXPEDL-VIZCGCQYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161434
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CCCn3cccn3)CCCNC(=O)Cn1nc(C)n2	EMOLS-id_317485437,PC-id_137334730,ZINC22_1772700792,MCULE-5233347918	619.758	HLDFEIMIIVABKC-VIZCGCQYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161435
O=C1N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)CCCCCCn2nnc(C(=O)N[C@H]1CCCCN)c2)C=O	PC-id_73213699	619.759	MUTWJNBXZSTNJX-FKBYEOEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161436
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOC)ccc(c2)C(=O)OCC)C(=O)OC	PC-id_4615953	619.773	IPDLMTJDSBTMAL-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161437
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOC)ccc(c2)C(=O)OC)C(=O)OCC	PC-id_3247512	619.773	AIOUXWBGWLMVBR-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161438
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOCC)ccc(c2)C(=O)OC)C(=O)OC	PC-id_5196669	619.773	KBLGACPUQKOYCY-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161439
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)ccc(OC)c2)C(=O)OCC	PC-id_5195350	619.773	IXWOGUOHHFCRGI-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161440
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)ccc(OCC)c2)C(=O)OC	PC-id_4684690	619.773	HOYPZZIAIAEAQU-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161441
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OC)ccc(OCC)c2)C(=O)OCC	PC-id_4178394	619.773	ZSAAKJWZCIHSJA-HYOGKJQXSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161442
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c1(csc2CCCCc12)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)c2nc(nn2CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)C	ZINC22_1704331143,MCULE-6603836130,PC-id_135089338,EMOLS-id_317384118	619.777	KUESODCTJJDGCF-RFLWCCGPSA-N	00000000100010110101000000010010000000000000000000000000	31-01-161444
c1(NC(=O)CSc2c3ccccc3n(CCNC(=O)c3ccc(cc3)OCC)c2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-1857929383,EMOLS-id_22702552,PC-id_4384343,CoCoCo_1999954	619.794	CHNRPPZDYHQHGS-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161445
O=C1NC(CCCCCC(=O)CC)C(=O)NC(C(=O)NC(C(CC)C)c2nnn(C1CC(C)C)c2)Cc1c2c([nH]c1)cccc2	PC-id_74941463	619.797	XFRSGAXNNWJWRO-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-161446
O=C1N[C@@H](CCCCCC(=O)CC)C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)c2nnn([C@@H]1CC(C)C)c2)Cc1c2c([nH]c1)cccc2	PC-id_44178889	619.797	XFRSGAXNNWJWRO-PLNXTKKOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-161447
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOCC)ccc(OCC)c2)C(=O)OCC	PC-id_3348221	619.816	KWQKEQRTPNRBNW-YCNYHXFESA-N	00000000100000100101000001000010000000000000000000000000	31-01-161448
CCNC/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)[C@H](CCCc2nc(C1)sc2)NS(=O)(=O)C)/C)C	SCHEMBL18123445,PC-id_122597603	619.835	QXJGRZKMJVAYBI-INWYTHKUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161449
C[C@H]1C/C(=C/C=CC(=O)O[C@@H](Cc2nc(cs2)CCC[C@@H](C(=O)O1)NS(=O)(=O)C)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	SCHEMBL20109910,PC-id_134471869	619.836	HZSMVRZELHECDQ-INWYTHKUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161450
COC(=C)CC/C/1=C(C)/C(=C/c2[nH]c(c(c2C=C)C)/C=C(N)/C(=C(C(=C)/C=C(/C(=C(C(=CC1)C)/C)/C=C)C)/C)/CCC(=O)C)/N=C	PC-id_141778463	619.878	VRRMGLNMABEVPP-CQPFJKOKSA-N	00000000100000000110000000000010000000000000000000000000	31-01-161451
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)NOCC1COC(O1)(C)C)Nc1c(cc(cc1)I)Cl)C	PC-id_90866269	619.9	QPBOQTDYBNCJQF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-161452
CCCCCCCCCCCCCCCC(=O)OC(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)Cl	PC-id_102055018	620.304	MXIOMZUKYCCFRX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161453
s1c2c(CCCCC2)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#N	PC-id_4284360	620.351	XOPSSLZYPBYRRW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-161454
Brc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)CC#C	PC-id_4072033	620.601	MWXMUXADKRLIEW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161455
CC(OC(=O)C1=CN(CC(c2c1[nH]c(c2C)/N=C(/C(F)(F)F)C)(C)C)C(=P)c1ccc(cc1)OCCN1CCOCC1)C	PC-id_145409526	620.643	YRINZNZVNZQBNO-XICOUIIWSA-N	00000000100010110111000000000010000000000000000000000000	31-01-161456
COc1cc(Cc2cc3-c(c2)ccc(cc3)C(C)C)cc(c1)[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C	SCHEMBL14590127,PC-id_58786121	620.686	GZAVZPCHZHWECX-IXNRCNHTSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161457
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C)c1cc(cc(OC)c1)Cc1cc2-c(c1)ccc(C(C)C)cc2	PC-id_72423614	620.686	GZAVZPCHZHWECX-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161458
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C(=O)c1ccccc1)C(=O)c1ccccc1	PC-id_19102857,SCHEMBL9335340	620.692	HQGDVQDJZMBXOH-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-161459
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)ccc([N+](=O)[O-])c2)C(=O)OC	PC-id_3365399	620.718	SKFDIOUCUJNMKK-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161460
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OC)ccc([N+](=O)[O-])c2)C(=O)OCC	PC-id_4614628	620.718	MEKLIROUYXFSHF-SGEDCAFJSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161461
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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O[C@@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(cc2)S(=O)(=O)Cc1ccc(cc1)F)CN1CCCCC1	SCHEMBL14212196,PC-id_71099983	620.734	KWZDTUTULNKTPC-UFVRDYMVSA-N	00000010100010110100000000001010000000000000000000000000	31-01-161463
S(=O)(=O)(c1cc2C(=Cc3[nH]c4CCCN(CC(O)CN5CCCCC5)C(=O)c4c3C)C(=O)Nc2cc1)Cc1ccc(F)cc1	PC-id_78008509	620.734	KWZDTUTULNKTPC-UHFFFAOYSA-N	00000010100010110100000000001010000000000000000000000000	31-01-161464
s1c2c(CCCCC2)c(c1NC(=O)CSc1c2c(n(CCNC(=O)c3ccc([N+](=O)[O-])cc3)c1)cccc2)C(=O)OCC	PC-id_5128079	620.739	FXWGVRVVFZFNLV-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161465
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1c(C)nc(CC)[nH]1	ZINC22_1772701044,PC-id_137338244,EMOLS-id_317473399,MCULE-3744340581	620.742	BETUKIBBUQWZQG-NQHRYMMQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161466
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cc1c(C)noc1C	EMOLS-id_317478527,ZINC22_1772705747,PC-id_137334721,MCULE-3676420190	620.742	ZKWNAAHXRLUDQX-VIZCGCQYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161467
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CCCn3cncn3)CCCNC(=O)Cn1nc(C)n2	MCULE-7582827922,EMOLS-id_317494949,PC-id_137341389,ZINC22_1772713497	620.746	OEZGWZWRHBXVJR-IRPSRAIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-161468
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nn1)C)C(=O)OCC	PC-id_23941074	620.761	JTEKQQKDYODLNA-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161469
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOCC)ccc([N+](=O)[O-])c2)C(=O)OCC	PC-id_3255643	620.761	GWXDWDPVIDBBII-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161470
CCCN(/C(=C/C=C(/Nc1cc(cn(c1=O)C)c1cc(F)cc(c1F)NC(=O)c1cc2c(s1)CCCCC2)C)/C=C)CCC	PC-id_143646102	620.795	YGWNHSFIBOJHPB-ZVPSQHGHSA-N	00000000100000111100100000000010000000000000000000000000	31-01-161471
N#CCCN1CCN(CC1)c1ccc(nc1)Cc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_143646118	620.807	YKMXEQGPMFUKBD-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161472
CCCCCCCC(=O)SCCC=CC1CC(=O)NC(c2nc(cs2)C(=O)NC(=CC)C(=O)NC(C(=O)O1)C(C)C)C	PC-id_90362797	620.824	ZHPKOVQWEHCEKG-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161473
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)C(C)(C)C	PC-id_60152599,SCHEMBL14980347	620.824	ROKLEIFWGRUFEA-ZTBMJSHDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161474
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)CC(C)C	SCHEMBL14980335,PC-id_60152872	620.824	VBDPKRZIHQKVLZ-VKHFXLACSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161475
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N/C(=CC)/C(=O)N([C@H](C(=O)O1)C(C)C)C	SCHEMBL14980476,PC-id_60151089	620.824	SBDTUZUWSUANLO-CXARBNMOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161476
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S(CCC=CC1OC(=O)C(NC(=O)C(=CC)NC(=O)c2nc(sc2)CNC(=O)C1)C(C)(C)C)C(=O)CCCCCCC	PC-id_72665170	620.824	ROKLEIFWGRUFEA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161479
S(C(=O)CCCCCCC)CCC=CC1OC(=O)C(N(C)C(=O)C(=CC)NC(=O)c2nc(sc2)CNC(=O)C1)C(C)C	PC-id_72664658	620.824	SBDTUZUWSUANLO-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161480
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CCCCNC(=O)C(CC(C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(c1cc2-c(ncc2)ccc1)O)O)C(C)C	PC-id_91207862	620.825	OORGCYRRZUBSQB-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-161482
c1(NC(=O)CCSCCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OC)sc2c(CCCCCC2)c1C(=O)OC	CoCoCo_6787116,GD-id_ZINC08443738,MCULE-4683826466,PC-id_3613019,ZINC22_8443738,TIMTEC139451,SPECS-id_AK-968/13031027,EMOLS-id_4200682	620.843	FBGBBPOJSBSMHU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-161483
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CCCC(C(C(=O)N1CCCC1/C(=C/C(=C)N(C)C)/C=CC)O)C(=O)NCc1scc(n1)Cn1c(C)nc2c1CCCC=C2	PC-id_143154209	620.848	YWFDBKUZCCQDQW-KTHLVDTBSA-N	00000010100000000111000000000010000000000000000000000000	31-01-161485
CCCCCCCCCCCCCCCCCOc1ccccc2-c1c(CCCCCCCCCCCCCCCCC)cc2	PC-id_19996725,SCHEMBL9876120	621.074	RNNIDMGHZVFTKN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-161486
Clc1c(sc2c1ccc([N+](=O)[O-])c2)C(=O)N1CCN(CC1)C(=S)Nc1sc2c(CCCCCC2)c1C(=O)OCC	PC-id_20180677	621.191	AMBPMIZODYXKGO-UHFFFAOYSA-N	00000000100010100101000001000010000000000000000000000000	31-01-161487
NCCCCC(C(=O)C)NC(=O)OC(CCCCCn1nnc2c1CCCCCC2(F)C(=O)C)CI	SCHEMBL21361058,PC-id_139492527	621.527	JMCOPBPRZQQEMR-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161488
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccncc1F	ZINC22_1772703991,EMOLS-id_317483379,MCULE-6106255404,PC-id_137336971	621.659	RFIDUAUIADPKSJ-UKDVSSAZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-161489
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1cncc(F)c1	EMOLS-id_317517220,MCULE-3825479539,PC-id_137339111,ZINC22_1772714259	621.659	HWGGAQGMWZOKAV-UKDVSSAZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-161490
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)Cc1cc(no1)C	EMOLS-id_317500075,PC-id_137340071,MCULE-5116376614,ZINC22_1772713056	621.684	AZLMTZYZDZSUIX-NIJXNBFTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161491
s1c2c(CCCCC2)c(c1NC(=O)COC(=O)c1ccc(N2C(=O)C(Sc3cc(N)ccc3)CC2=O)cc1)C(=O)OCC	PC-id_18893924	621.724	TYNVNRLUJCNISG-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-161492
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1ccc(N2C(=O)C(Sc3cc(N)ccc3)CC2=O)cc1)C(=O)OC	PC-id_18893925	621.724	YLMFCTHMQWZWHU-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-161493
C/C=C/1CN(Cc2c(N1)n(C)nc2)C(=O)C1CCC(CC1)CNC(=O)CC1CCN(CC1)C(=O)OCc1ccc(cc1)[N+](=O)[O-]	PC-id_143188703	621.727	QNFOKXHAXPNFAI-FPTZMINZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161494
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c2cc(OC)c(OC)c(OC)c2)c1C#N)C#N)C(=O)OC	PC-id_23804425	621.727	GMCPLEUDXOWVHT-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-161495
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3ccc(cc3F)OC)CCCNC(=O)Cn1nc(C)n2	PC-id_137334597,EMOLS-id_317468046,MCULE-3826233465,ZINC22_1772705357	621.745	MPJCTCYJGQRFPL-MVSFAKPFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161496
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4765844987,CoCoCo_2661320,PC-id_4581181,EMOLS-id_22700138	621.745	GPONNIWAUWXERI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161497
Fc1c(cccc1c1cc(Nc2ccc(cn2)N2CCS(=O)(=O)CC2)c(=O)n(c1)C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_59740582,SCHEMBL1321849	621.745	SPAYZDLPHPNJHC-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161498
O=C1C(=O)[SH4]CCN1c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1F)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL3964116	621.745	WCMOSADROZEGAQ-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161499
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2CCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22701516,PC-id_4357375,MCULE-9993805258	621.77	CXHLLEBTUNSJGD-UHFFFAOYSA-N	00000000101000110101000000000010000000000000000000000000	31-01-161506
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2c2cccc(C)c2C)sc2CCCCCc12	EMOLS-id_22701328,PC-id_3479818,MCULE-1449488921	621.77	GJTCCDJVUYAOCM-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161507
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2c2cc(C)ccc2C)sc2CCCCCc12	MCULE-3074850018,EMOLS-id_22701334,PC-id_5072276	621.77	BZHCJVJELFKRJR-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161508
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2C)C)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_98229790,CoCoCo_2662368	621.77	GJTCCDJVUYAOCM-HXUWFJFHSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161509
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2C)C)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_98229791,CoCoCo_2662367	621.77	GJTCCDJVUYAOCM-FQEVSTJZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161510
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cc(C)ccc2C)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_98229800,CoCoCo_2662376	621.77	BZHCJVJELFKRJR-HXUWFJFHSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161511
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cc(C)ccc2C)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_98229801,CoCoCo_2662375	621.77	BZHCJVJELFKRJR-FQEVSTJZSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161512
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccco2)C)sc2c1CCCCC2	CoCoCo_2662639,PC-id_98229682	621.77	CXHLLEBTUNSJGD-HXUWFJFHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-161513
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2ccco2)C)sc2c1CCCCC2	CoCoCo_2662640,PC-id_98229683	621.77	CXHLLEBTUNSJGD-FQEVSTJZSA-N	00000000101000110101000000000010000000000000000000000000	31-01-161514
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)Cc1cn(nc1C)CCO	ZINC22_1772704070,MCULE-2160307280,EMOLS-id_317498736,PC-id_137337006	621.773	FZTDHVGBCLEDNB-OFSOJUDTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161515
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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N#CCCN1CCN(CC1)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL1322875,PC-id_59740607	621.795	LBCMWEHBNBVWJU-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161517
CCC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@](OC(=O)[C@H]1C)(C)[C@H](CC)C)C(C)C)C)C(C)C	PC-id_102271339	621.832	VLRKHFHOJOWIQN-UZYXHGEJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161518
[O-]/[N+](=Cc1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C=C1SCCCS1)/C(C)(C)C	SCHEMBL12743783,PC-id_11563524	621.937	VGBSVBFCDOULAH-JXKVOSBVSA-N	00000010100010000111000000000010000000000000000000000000	31-01-161519
S1C(=Cc2c3-c(c(c2)C=Cc2c4-c(c(c2)C=[N+]([O-])C(C)(C)C)cc(C(C)C)ccc4C)c(ccc(C(C)C)c3)C)SCCC1	PC-id_73008240	621.937	VGBSVBFCDOULAH-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-161520
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(cc1)Cl	ZINC22_1772714474,MCULE-3392076881,PC-id_137343479,EMOLS-id_317507496	622.157	SGUONFAOTNQAEY-UHSQPCAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161521
O1[C@](O)([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1COC(=O)C)c1cc(ccc1OC(=O)C)Cc1cc2-c(c1)ccccc2	PC-id_11700861	622.616	GSRMQRSPVYIZRA-AALIFHQRSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161522
O1C(O)(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C)c1cc(ccc1OC(=O)C)Cc1cc2-c(c1)ccccc2	PC-id_73066722	622.616	GSRMQRSPVYIZRA-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161523
Brc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)CC=C	PC-id_4645970	622.617	SFXQPXMOTUNTKK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161524
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)NC1CC(C)C)c2	PC-id_74956490	622.634	GDITZPISFFKVBK-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161525
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)NC1C(CC)C)c2	PC-id_74956491	622.634	HPAJGHPNFKGUTM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161526
O=C1N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)N[C@H]1CC(C)C)c2	PC-id_44224426	622.634	GDITZPISFFKVBK-KKUMJFAQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161527
O=C1N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)N[C@H]1[C@H](CC)C)c2	PC-id_44224427	622.634	HPAJGHPNFKGUTM-FTIRYDQDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161528
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCc2nnn(CC(=O)NC1CCCN=C(N)N)c2	PC-id_74392727	622.637	RBJZYGQGEGEEEJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161529
O=C1N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)NCc2nnn(CC(=O)N[C@H]1CCCN=C(N)N)c2	PC-id_25136802	622.637	RBJZYGQGEGEEEJ-QLFBSQMISA-N	00000000100000000101000000000010000000000000000000000000	31-01-161530
FOCC1=Cc2cc([nH]c2CC=C1NSC1CC1)C(=O)c1cnn(c1N)c1cnc(cc1C)OCC1=C(F)C(=CC=CC1)F	PC-id_145211752	622.661	LGAZRSRGGTVMLQ-UHFFFAOYSA-N	00100000100000101111100000000010000000000000000000000000	31-01-161531
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1ccccc1c1nccn1C	EMOLS-id_317469573,ZINC22_1772703182,PC-id_137337653,MCULE-4415144625	622.672	CUOLRUKNZZWTOX-VBVDBJQASA-N	00000000100000110101100000000010000000000000000000000000	31-01-161532
c1(cnn(Cc2ccccc2)c1)C(=O)N1CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2noc(C1)c2	ZINC22_1772713971,MCULE-3868840582,EMOLS-id_317501098,PC-id_137339816	622.672	VUMGHOQIAUOHOJ-JHFSOIRNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161533
c1(C(=O)N2CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3noc(C2)c3)cc(nn1C)c1ccccc1	EMOLS-id_317463729,PC-id_137345433,ZINC22_1772713749,MCULE-6020480687	622.672	QNRJLBBOUPNALD-MSFWWKAZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161534
Cc1c([nH]c2c1C(=O)N(CCC2)CC(CN1CCOCC1)O)C=C1c2c(ccc(c2)S(=O)(=O)Cc2ccc(cc2)F)NC1=O	PC-id_87484207,SCHEMBL3136474	622.707	RZFBUHWRKHITHH-UHFFFAOYSA-N	00000010100010110101000000001010000000000000000000000000	31-01-161535
OC(CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(cc2)S(=O)(=O)Cc1ccc(cc1)F)CN1CCOCC1	SCHEMBL3136470,PC-id_68524888	622.707	RZFBUHWRKHITHH-QQXSKIMKSA-N	00000010100010110101000000001010000000000000000000000000	31-01-161536
O[C@@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(cc2)S(=O)(=O)Cc1ccc(cc1)F)CN1CCOCC1	PC-id_59250059,SCHEMBL3136464	622.707	RZFBUHWRKHITHH-IPLHSMHLSA-N	00000010100010110101000000001010000000000000000000000000	31-01-161537
O[C@@H](CN1CCCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(cc2)S(=O)(=O)Cc1ccc(cc1)F)CN1CCOCC1	SCHEMBL3136477,PC-id_68524891	622.707	RZFBUHWRKHITHH-HSZRJFAPSA-N	00000010100010110101000000001010000000000000000000000000	31-01-161538
S(=O)(=O)(c1cc2/C(=C/c3[nH]c4CCCN(C[C@@H](O)CN5CCOCC5)C(=O)c4c3C)/C(=O)Nc2cc1)Cc1ccc(F)cc1	PC-id_25131607	622.707	RZFBUHWRKHITHH-DGMIEQENSA-N	00000010100010110101000000001010000000000000000000000000	31-01-161539
CN1CCCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750476	622.776	OYWAKTABHHHRSG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161540
O=C(N1CCNCC1)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750506	622.776	PHTSMEIRWWHACR-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161541
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1sc(nc1C)C	MCULE-4029025009,EMOLS-id_317465461,PC-id_137335301,ZINC22_1772700261	622.781	BFDCCCJHDKCLOA-SQHAQQRYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161542
N#CCCN1CCN(CC1)c1ccc(nn1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_59557891,SCHEMBL12956035	622.783	NEQYPITYWHNDRW-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161543
CN1CCCN(CCCOc2cc(C(=O)N3CCCCc4sccc34)ccc2NC(=O)c2ccccc2c2ccccc2)CC1	BindingDB_PC-id_9939024,SCHEMBL7411832,CHEMBL369832,PC-id_9939024	622.819	MGFWTVPFIGCNLG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161544
CN1CCN(CC1)CCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	CHEMBL368354,PC-id_11490514,BindingDB_PC-id_11490514	622.819	SSJBBNZWJHOPCO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161545
CNC1CCN(CC1)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_141866510	622.819	WUUFAWHZGVYIOD-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-161546
ON(C(C)(C)C)C(=O)c1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C(=O)N(C(C)(C)C)O	PC-id_101179854	622.836	YCGBVAFDDMLLBQ-ISLYRVAYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-161547
CCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCCCCC)CCCCCCC	SCHEMBL9335483,PC-id_19102924	622.879	YMNZIFVMYWXOCE-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-161548
CCCCCCCCc1cc2c(cc(c1=O)CCCCCCCC)nc(n2Cc1ccc(cc1)c1ccccc1C(=O)O)CCC	PC-id_19102858,SCHEMBL9335623	622.879	ROIHSSQKCOOUTG-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-161549
Clc1ccc(cc1)Cn1c(Oc2cccc(c2)OC(F)(F)F)nc2c1C(=O)N(CCCOC1CCCCO1)CC(=O)N2C	PC-id_139466876,SCHEMBL21332507	623.02	IILZYBNRVJLWNF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161550
Clc1ccc(cc1)Cn1c(Oc2cccc(c2)OC(F)(F)F)nc2c1C(=O)N(CCCOC1CCCCO1)C(=O)CN2C	SCHEMBL21332730,PC-id_139467072	623.02	RCUSXGDZDXDCOF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161551
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(cn1)Cl	ZINC22_1772714603,PC-id_137345139,MCULE-4445037285,EMOLS-id_317517218	623.146	ZGBXRBLSXOZXBY-NAKRPHOHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-161552
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccncc1Cl	EMOLS-id_317503144,ZINC22_1772713326,MCULE-2267303601,PC-id_137340789	623.146	JNNCPWDSORGQIS-NAKRPHOHSA-N	00000000100000111101000000000010000000000000000000000000	31-01-161553
CCOC(CN(C(=N)c1ccc(cc1)CN1C(=O)CN(CC1C(=O)O)S(=O)c1cc2c(s1)CCC(C=CC2)Cl)C)O	PC-id_142132228	623.184	OUTXOEYQAWJWBO-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-161554
O=C1N[C@@H](CCCCNC(=O)OCCc2nnn(C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCN=C(N)N)c2)C(=O)B(O)O	PC-id_73213920	623.47	VIAZHIWNULWLRC-BZSNNMDCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161555
O=C1NCC(=O)NC(CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)NC(C(=O)NC1CCCN=C(N)N)CC(=O)N)c2	PC-id_74956563	623.579	BEFQDOFEWBOWKZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161556
O=C1NCC(=O)N[C@@H](CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)N[C@H](C(=O)N[C@H]1CCCN=C(N)N)CC(=O)N)c2	PC-id_44224634	623.579	BEFQDOFEWBOWKZ-SRVKXCTJSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161557
CNC(=O)COC1CCCCCc2c1nnn2CC(=O)NC1C(OC(=O)C)OC(C(C1OC(=O)C)OC(=O)C)C(=O)C(=O)C	SCHEMBL13228019,PC-id_59439743	623.609	DZAMFDRHUWRDRI-UHFFFAOYSA-N	00000000100010000101000000000010000000000000000000000000	31-01-161558
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)nn2)CC=C)ccc(Cl)c1	PC-id_20123191	623.614	XRDWQHWYTSKLLH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161559
Clc1c(OCCCc2n(c(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)nn2)CC=C)ccc(Cl)c1	PC-id_20123113	623.614	URVMZGIEQKZRCY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161560
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cccc(F)c1F	PC-id_137345530,EMOLS-id_317495468,MCULE-8139615472,ZINC22_1772713485	623.693	NIMXAWDHEATEQM-IRPSRAIASA-N	00000000100000110101000000000010000000000000000000000000	31-01-161561
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)Cc1ccccn1	MCULE-4510812857,PC-id_137339524,ZINC22_1772713189,EMOLS-id_317495202	623.701	GZUFQORKBWTEJC-QKZGOTKPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-161562
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)Cc1cccnc1	MCULE-5210814865,PC-id_137343953,EMOLS-id_317506217,ZINC22_1772714469	623.701	RYRLJAMFNAXNKV-QKZGOTKPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-161563
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)Cc1ccncc1	MCULE-9342155680,ZINC22_1772707648,EMOLS-id_317499760,PC-id_137337030	623.701	WQJATPPHIANCOO-QKZGOTKPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-161564
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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CNC/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)[C@H](CCCc2nc(C1)sc2)NC(=O)C(F)(F)F)/C)C	PC-id_122597438,SCHEMBL18123270	623.727	AVOYAWGSZYKKNX-PVQAEGOISA-N	00000000100000000111000000000010000000000000000000000000	31-01-161566
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2c2ccc(cc2)OCC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-5886474021,PC-id_5067053,EMOLS-id_22700428,CoCoCo_2661501	623.743	YXYMXJMDMLRSGN-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161567
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccco3)n2c2ccccc2OC)sc2CCCCCc12	MCULE-8169625962,EMOLS-id_22701306,PC-id_4131420	623.743	JWVKMUMPCJMWQV-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161568
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2ccco2)C)sc2c1CCCCC2	CoCoCo_2662323,PC-id_98229784	623.743	JWVKMUMPCJMWQV-SFHVURJKSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161569
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccccc2OC)CNC(=O)c2ccco2)C)sc2c1CCCCC2	CoCoCo_2662324,PC-id_98229781	623.743	JWVKMUMPCJMWQV-GOSISDBHSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161570
CCS(=O)c1ccc(nc1)CNC(=O)c1cc2c(s1)CCCN(CCO[C@H](C2)C)C(c1cnc(nc1C)C(F)(F)F)C	PC-id_142419296	623.753	FOIYVHRVIQXGLV-DCFHAFDMSA-N	00000000100000101101000000000010000000000000000000000000	31-01-161571
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2CCCCCc2cc1C(=O)Cc1c(c(c2nc(Nc3ccc(C4N(CCN(C4=O)C)CC)cc3)c(=O)n(c2)C)ccc1)C	PC-id_58180676	623.807	ANEXHPSEZWDGJB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161575
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700918,PC-id_4233039,CoCoCo_2661805,MCULE-5608584653	623.809	OKRPXVKCAYHBDI-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-161576
c1(SC(C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccs2)n1c1cccc(C)c1	PC-id_5046343,MCULE-9802431866,EMOLS-id_22701262	623.809	LSUATEKKCMRCPQ-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-161577
CCOC(=O)c1c2CCCCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2cccs2)n1c1cc(C)ccc1C	EMOLS-id_22700406,CoCoCo_2661485,PC-id_3646816,MCULE-8757467864	623.809	KYZAEAYJUMGNIP-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-161578
CCOC(=O)c1c2CCCCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2cccs2)n1c1cccc(C)c1C	MCULE-1354828114,PC-id_5205418,CoCoCo_2661481,EMOLS-id_22700398	623.809	INLXNBKUFIBZFL-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-161579
CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2)sc2CCCCCc12	MCULE-1297785820,PC-id_4103808,EMOLS-id_24429384	623.809	YMFFVNPSTINDAZ-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-161580
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2cccs2)C)sc2c1CCCCC2	PC-id_98229759,CoCoCo_2662255	623.809	LSUATEKKCMRCPQ-LJQANCHMSA-N	00000000100100110101100000000010000000000000000000000000	31-01-161581
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C)CNC(=O)c2cccs2)C)sc2c1CCCCC2	PC-id_98229760,CoCoCo_2662256	623.809	LSUATEKKCMRCPQ-IBGZPJMESA-N	00000000100100110101100000000010000000000000000000000000	31-01-161582
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2cccs2)C)sc2c1CCCCC2	CoCoCo_2662223,PC-id_98229754	623.809	YMFFVNPSTINDAZ-IBGZPJMESA-N	00000000100100110101000000000010000000000000000000000000	31-01-161583
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2Cc2ccccc2)CNC(=O)c2cccs2)C)sc2c1CCCCC2	CoCoCo_2662224,PC-id_98229753	623.809	YMFFVNPSTINDAZ-LJQANCHMSA-N	00000000100100110101000000000010000000000000000000000000	31-01-161584
CC(C[C@H]1C(=O)N[C@@H](CC(C)C)c2nnn(c2)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C)Cc1ccccc1)CC(C)C)C	PC-id_101571029	623.829	JLFSLHMVKBLOGS-HXSXYBSHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161585
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)CC)C(=O)OCC	PC-id_19317934	623.849	PCFJKKWJVXQNDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161586
O1CC(OCCOCc2nc(n[nH]2)COCCOC(CCCCCCCCCCCC)C1)CCCCCCCCCCCC	PC-id_21811800	623.95	KAKMDGRXMYRVHC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161587
ClC(Cl)(Cl)C(OC(=O)NC1CC(c2nc(sc2)CC(OC(=O)C=CC=C(CC(OC(=O)C1)C)C)C=O)C)(C)C	PC-id_72764374	623.973	NRKOVUYPOZEOEQ-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161588
ClC(Cl)(Cl)C(OC(=O)N[C@@H]1C[C@@H](c2nc(sc2)C[C@H](OC(=O)C=CC=C(C[C@@H](OC(=O)C1)C)C)C=O)C)(C)C	PC-id_11239000	623.973	NRKOVUYPOZEOEQ-OKYOBFRVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161589
ClC(Cl)(Cl)C(OC(=O)N[C@H]1C[C@H](c2nc(sc2)C[C@H](OC(=O)C=CC=C(C[C@H](OC(=O)C1)C)C)C=O)C)(C)C	PC-id_21457397	623.973	NRKOVUYPOZEOEQ-YRXWBPOGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161590
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)COc1ccc(Cl)cc1)CC(=O)N[C@H]2Cc1ccccc1	MCULE-2821004742,PC-id_135111256,EMOLS-id_317366362,ZINC22_1704301354	624.13	VVZQIRVNICHLTE-RFLWCCGPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161591
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3cccc(O)c3Cl)CCCNC(=O)Cn1nc(C)n2	MCULE-4829445077,ZINC22_1772713908,EMOLS-id_317496488,PC-id_137343401	624.173	UUOXATDEKWHQOT-RNAHPLFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161592
Clc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)CC(=O)OCC	PC-id_3648536	624.192	MPJWSQSUTJBGGW-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161593
CC(OC1=c2n(CCCN3CCN(CC3)CCN(C(C)C)C(C)C)cc(c2=CC=CC1)C(=O)NCc1ccc(c(c1)Cl)C)C	PC-id_143503422	624.299	MJTAIPKYGQWTNJ-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-161594
Cc1cc(C)c(c(c1)C)B(c1c(C)cc(cc1C)C)c1cc(c2-c1ccccc2)B(c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C	PC-id_122369575	624.511	IJCWTFJEZNBQJS-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161595
CC(C)C(C)(C)CC(C)(C)C(C)(C)OCCC(C)(C)C(C)(C)CC(C)(C)NC(=O)CC1CCCCC2=C(C1(F)F)N=NN2C	PC-id_147957042	624.515	IOSUMKSPBHPHLA-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161596
O=C1NCC(=O)NC(CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)NC(C(=O)NC1CCCN=C(N)N)CC(=O)O)c2	PC-id_74956562	624.564	HEIJFSQZLAMUMQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161597
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c1(c(C)nsn1)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	PC-id_137342260,ZINC22_1772713682,MCULE-6720751950,EMOLS-id_317489057	624.711	OWKBZVPFHRVGQC-STZQEDGTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161603
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s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)CC)C(=O)OCC	PC-id_18898026	624.724	NAUDNQOZYLUGOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161607
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)CC)C(=O)OC	PC-id_18898027	624.724	KOCVWRGCVMKCBX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161608
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)C)C(=O)OCC	PC-id_18897962	624.724	RFLXVBJIQMXMEY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161609
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[Si](CCOCO[C@@H]1[C@@H](CCC#C[C@@H](OC(=O)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)[C@H](c2oc1c(c2)C)C(=C)C)C(=C)C)(C)(C)C	PC-id_10675419	624.754	LWAAYKMVUFCDLR-SUCIPDAWSA-N	00000000100000110110000000000010000000000000000000000000	31-01-161611
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)CC(C)C	EMOLS-id_317518201,PC-id_137337308,ZINC22_1772704913,MCULE-6655737847	624.774	NDVGVMAHTOYUMU-HQQGYVGFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161612
CN1CCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1C1(C)CC=CC=C1)C(=O)N1CCCCc2c1ccs2	PC-id_141866475	624.792	DQFCVCCPCQSRQB-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-161613
CCN1CCN(C(C1=O)c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	SCHEMBL1203947,PC-id_57625155	624.795	JIVVGSIIXWSEAQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161614
CCN1CCN(C(=O)C1c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	SCHEMBL1204894,PC-id_25234844	624.795	OISXKLVRVPQSLK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161615
O=C(C(c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)N1CCC1)N(C)C	PC-id_25234691,SCHEMBL1204123	624.795	ZUZMMYCDZVABKU-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-161616
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C=C/c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18909209	624.812	OUPSTZZVYRKJHO-GHVJWSGMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161617
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C=Cc2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_73470727	624.812	OUPSTZZVYRKJHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161618
CN(C)CCN(C)CCCCOc1cc(C(=O)N2CCCCc3sccc23)ccc1NC(=O)c1ccccc1c1ccccc1	PC-id_11262100,BindingDB_PC-id_11262100,CHEMBL177248	624.835	CBWPDTJPGBXARO-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-161619
CCN1CCN(CC1)C(c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_143781071	624.839	ZIODAVUKSGHMOF-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161620
CCCCCCCC(=O)SCCC=CC1CC(=O)NCc2nc(cs2)C(=NC)SCCC(=O)NC(C(=O)O1)C(C)C	PC-id_88224835	624.878	UVGYZWYNUZQFOZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161621
CCCCCCCC(=O)SCC/C=C/C1CC(=O)NCc2scc(n2)/C(=N/C)/SCCC(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL7937106	624.878	UVGYZWYNUZQFOZ-PBARNDIASA-N	00000000100000000101000000000010000000000000000000000000	31-01-161622
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=N[C@@H](C(=O)N(CC(=O)O1)CCC)C)SC	PC-id_145152528	624.878	PDVUGDMQKCYPGL-NJBOUEJZSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161623
CCN(CCCCCn1c(Nc2ccc(cc2)Nc2ccccc2)nc2=CCC=C(C=c12)C(=O)N(CCC(C)C)CCC(C)C)C	PC-id_142936819	624.902	MWMBWDZTPZFEPV-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-161624
C1CN(CCOCC(C2=C1SC(=C2)Cl)(F)F)C(C3=CN(N=C3)C4=C(C=CC=C4F)C#N)OC(C(=O)C(=O)N=O)C(=O)O	PC-id_153651117	625.065	QOJKFNQILVZWDV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161625
C/C=C(C=C(C)/C(=C)N1CCOc2c(S1)n(nc2)C)/c1nc(c(cc1)N)/C(=CC(=C)C(F)(F)[I]=C)/C	PC-id_164145802	625.118	ZAHBZCGYVUULNS-BBNAKLACSA-N	00000000100000101101000000000010000000000000000000000000	31-01-161626
Brc1c(S(=O)(=O)NC(CNC(=O)c2nn3CCCN(CCC4CCNCC4)C(=O)c3c2)C(=O)O)ccc(c1)C	PC-id_85254475	625.535	YSOFUKYVEBWJBP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161627
Brc1c(S(=O)(=O)N[C@@H](CNC(=O)c2nn3CCCN(CCC4CCNCC4)C(=O)c3c2)C(=O)O)ccc(c1)C	PC-id_10747572	625.535	YSOFUKYVEBWJBP-FQEVSTJZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161628
s1c2c(CCCCC2)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_19659504	625.606	TZSDSFJDPDELSO-WKULSOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161629
s1c2c(CCCCC2)c(c1NC(=O)C(=O)NN=Cc1cc(OC)c(Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1)C(=O)OCC	PC-id_73633989	625.606	TZSDSFJDPDELSO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161630
c1(cc2c(ccc(OC)c2)n1C)C(=O)N1CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2noc(C1)c2	PC-id_137343044,MCULE-7020512937,ZINC22_1772714356,EMOLS-id_317513135	625.673	NCDBPUYGHMQUEJ-MZXZQTHYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-161631
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccc[nH]1	PC-id_137344176,ZINC22_1772714592,EMOLS-id_317511845,MCULE-6757026734	625.674	YJFLMSSYLMNROP-KWTBFXGESA-N	00000000110000110101000000000010000000000000000000000000	31-01-161632
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)c1cc[nH]c1	PC-id_137345591,MCULE-8031912858,EMOLS-id_317513127,ZINC22_1772714301	625.674	KBUIASXDKQCJIA-KWTBFXGESA-N	00000000110000110101000000000010000000000000000000000000	31-01-161633
C=C/C(=CC(=C/CC(CF)(F)F)NC(=O)c1ccc(c(c1)N(/C=C(/C1=CN=c2c(=CC1)[nH]c(=O)[nH]2)N)N)C)/N1CCN(CC1)C	PC-id_145542045	625.688	GIZHKZRUNKYEEB-GGZUYADVSA-N	00000000100010110111000000000010000000000000000000000000	31-01-161634
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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N#CCCN1CCN(CC1)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1F)NC(=O)c1cc2c(s1)CCCCC2	PC-id_59740563,SCHEMBL1322909	625.759	OGFGOKOSLLNLDK-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161638
CCOC(=O)c1c2CCCCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2cccs2)n1c1ccccc1OC	MCULE-1101281395,CoCoCo_2661457,PC-id_4258307,EMOLS-id_22700360	625.782	JIBWYOFPRUILJM-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-161639
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2C2CCCCC2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661383,EMOLS-id_22700248,PC-id_4326146,MCULE-5391285431	625.802	KCOSRRGJRZGBCO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161640
CC[C@H](C)[C@@H]1NC(=O)CCCN(C/C(=C/C)/C)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	EMOLS-id_323888797,PC-id_139599788	625.802	PSLRIYRJSRUXLD-SXQQLJGQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161641
n12CC(=O)NCCCN(CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H](C)c1nc(Cc1ccc(c(OC)c1)OC)n2)CC(=CC)C	MCULE-7602150358	625.802	PSLRIYRJSRUXLD-JLELKNTQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161642
COCCN1CCN(CC1)c1ccc(nc1)Cc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_143646121	625.823	DSDSCPWZGUBTPF-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161643
CCCN(c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)CCCC(C)C	PC-id_143646158	625.866	KJNJLCNTCUDKDF-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-161644
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cc(Cl)ccc3OCc3ccc(Cl)cc3Cl)sc3c2CCCCCC3)c1	ZINC22_408969539	626.035	PUTWFADJGXHZPY-RQRWGXNHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161645
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1nn(cc1Cl)C	ZINC22_1772714018,MCULE-5622231962,PC-id_137344026,EMOLS-id_317459647	626.149	YHKHHOGNJRHKKJ-BVAGGSTKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161646
C#CCOc1c(I)cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1OC	ZINC22_408963671	626.548	IZROURZVSQXMDP-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-161647
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccc(cc3Cl)Cl)n2C)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661426,EMOLS-id_22700318,MCULE-6531205041,PC-id_4063993	626.575	NVMPRCBEGLICNG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161648
Brc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)n(c2cc1)CCOC	PC-id_4244365	626.606	RRSPWKPSDYLQAT-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161649
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)c1cn[nH]c1	MCULE-8273827348,PC-id_137344607,ZINC22_1772713436,EMOLS-id_317496490	626.662	LYLBKMZVLSOCHX-LZYPDUGYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161650
COc1ccc(cc1)N(c1c(C(=O)O)c(c2-c1ccccc2)N(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC	PC-id_102322948	626.697	SKIUYCWDESAHPF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161651
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)Cc1[nH]cc(C)n1	MCULE-7539165108,PC-id_137342610,ZINC22_1772714506,EMOLS-id_317514666	626.705	UGZQTQFGUCMQPA-FDJWOJMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161652
NCCCC[C@@H]1n2nnc(c2)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC1=O)CCCNC(=N)C	SCHEMBL14075646,PC-id_59798667	626.707	VEWLHCLPCYLFEG-CDNNERCOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161653
O=C1NC(CCC/N=C(/N)C)C(=O)NCC(=O)NC(C(=O)NC(c2nnn(C1CCCCN)c2)Cc1ccccc1)CC(=O)O	PC-id_72565077	626.707	VEWLHCLPCYLFEG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161654
O(C(=O)c1c2-c(c(c1)C#CC#Cc1ccc(C#CC#Cc3c4-c(cc(C(C)C)ccc4)c(c3)C(=O)OC)cc1)cccc(C(C)C)c2)C	PC-id_71489317	626.738	BEABYKAEPBGLNB-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161655
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)CCOC	PC-id_137342517,EMOLS-id_317492906,MCULE-9991344515,ZINC22_1772713187	626.747	GZCBDSKABQYWRM-YBZFOXLFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161656
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)Cc1c(C)[nH]c3ccccc13)CC(=O)N[C@H]2Cc1ccccc1	MCULE-6753378966,ZINC22_1704317289,EMOLS-id_317376386,PC-id_135093361	626.748	GZIMZUOEBVMMJM-MXUAVAHLSA-N	00000000100000110101000001100010000000000000000000000000	31-01-161657
O=C1C[C@@H](/C=C/CCSC(=O)C)OC(=O)Cn2nnc(c2)[C@H](NC(=O)[C@H](NC(=O)[C@H](N1)C(C)C)Cc1ccccc1)C(C)C	PC-id_122193367,BindingDB_PC-id_122193367	626.767	HRJQEJQMZLHBPO-SYWNZNGQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161658
O=C(Nc1cccc(c1C)c1cn(C)c(=O)c(n1)Nc1ccc(cc1)C1N(C)CCN(C1=O)C)Oc1cc2c(s1)CCCCC2	PC-id_122437504,SCHEMBL17957189	626.768	SDWINLMHVMXQTN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161659
CCN1CCN(C(=O)C1c1ccc(cc1)NC1=NC(CN(C1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C	PC-id_143781082	626.811	LFMZBWSMTIBYII-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-161660
COCCN1CCN(CC1)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL1323106,PC-id_59740603	626.811	BOZRETKRLOUCSS-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161661
CCCn1c2c([C@@H]([C@H](CN(CC2)C(=O)CCCC(=O)NCCCOCCOCCOCCCNC(C)(C)C)OC)OC)nn1	PC-id_134566086,SCHEMBL20216182	626.828	WYLXIRRUMBGJQX-FREGXXQWSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161662
C/C=CC=C/1C=CC(=NC1C)COC1=CC=c2c(=CC1)c(C(=O)CC(C)(C)C)c(n2Cc1ccc(cc1)S)CC(C(=O)O)(C)C	PC-id_143292321	626.848	RSDVHDIYXRLFNW-IVCFGWOESA-N	00000000100011110110000000000010000000000000000000000000	31-01-161663
O(C(=O)c1[nH]c(Cc2c3-c(c(Cc4[nH]c(c(c4CC)C)C(=O)OC(C)(C)C)c2)ccc(C(C)(C)C)cc3)c(c1C)CC)C(C)(C)C	PC-id_23656822	626.868	STPKDAMLBGLRGR-UHFFFAOYSA-N	00000010110000000110000000000010000000000000000000000000	31-01-161664
CC(c1ccc(c2-c(c1)c(C)cc2/C=C/c1ccc(cc1)N=Nc1ccc(cc1)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C)C)C	PC-id_102481830	626.871	SPENQVNEZQDOLZ-PMDKNKJYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161665
CCCCCCCC(=O)SCCCCC1CC(=O)NCc2nc(cs2)C(=NC)SCCC(=O)NC(C(=O)O1)C(C)C	PC-id_88226550	626.894	SUKNCWGCDCJUDN-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161666
CCCCCCCC(=O)SCCCCC1CC(=O)NCc2scc(n2)/C(=N/C)/SCCC(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL7945517	626.894	SUKNCWGCDCJUDN-UONYEUHASA-N	00000000100000000101000000000010000000000000000000000000	31-01-161667
CCCCCCCC(=O)SCCCC[C@@H]1CC(=O)NCc2scc(n2)C(=NC)SCCC(=O)NC(C(=O)O1)C(C)C	PC-id_122542265	626.894	SUKNCWGCDCJUDN-XJQHNOHDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161668
CCCCCCCC(=O)SCCCC[C@@H]1CC(=O)NCc2scc(n2)/C(=N/C)/SCCC(=O)NC(C(=O)O1)C(C)C	SCHEMBL18078881	626.894	SUKNCWGCDCJUDN-ULKYZNDRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161669
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)CCn1cc(cn1)Cl	ZINC22_1772705436,EMOLS-id_317461891,MCULE-5006877940,PC-id_137335619	627.134	RHCNTROBFRCHOK-NIJXNBFTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161670
CONC(=O)COC1CCCCCC2=C1N=NN2CCN(CC(=O)NCCS(=O)(=O)O)CC(=O)NCCS(=O)(=O)O	PC-id_160117090	627.199	OWIYEKWPECUARB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161671
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2C)CCCCCC3)cc(OCC)c1OCc1ccccc1Cl	ZINC22_409014623	627.235	NLDBIFKRCAOWTE-JRZNSJKLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161672
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCCCC3)cc(OCC)c1OCc1ccccc1Cl	ZINC22_409013593	627.235	KXWAFJOJDQKRJX-JRZNSJKLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161673
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2)CCCCCC3)cc(OCC)c1OCc1ccccc1Cl	ZINC22_409018286	627.235	UJZAENLPCWDRTM-JRZNSJKLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161674
C=NOCCOC1(OCC)CCCCCc2c1nnn2CCOCCOCCOCCOCc1ccc(cc1)Br	PC-id_140702338	627.568	XGQUSHNPBGSLIL-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161675
Cc1c([nH]c2c1C(=O)N(CCC2)CCN1CCCC1)C=C1c2c(ccc(c2)S(=O)(=O)Cc2c(cccc2Cl)Cl)NC1=O	SCHEMBL3145258,PC-id_87485381	627.581	RYWXGVHNUDIZSK-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-161676
Clc1c(CS(=O)(=O)c2cc3/C(=C/c4[nH]c5CCCN(CCN6CCCC6)C(=O)c5c4C)/C(=O)Nc3cc2)c(Cl)ccc1	PC-id_25130955,SCHEMBL3145248	627.581	RYWXGVHNUDIZSK-XLNRJJMWSA-N	00000010100000110100000000001010000000000000000000000000	31-01-161677
c1(c2ccccc2F)oc(c(CN2CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3noc(C2)c3)n1)C	ZINC22_1772714254,PC-id_137340791,MCULE-8920382540,EMOLS-id_317509027	627.664	HQYOGJOVOVTBQD-MZXZQTHYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161678
c1(CC(=O)N2CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3noc(C2)c3)c2cc(F)ccc2[nH]c1C	MCULE-5406003031,ZINC22_1772714430,EMOLS-id_317519526,PC-id_137342864	627.664	QCSVUUFKHWGOFE-FLCRCLQTSA-N	00000000100000100101000001100010000000000000000000000000	31-01-161679
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccccc1C#N	PC-id_137343088,EMOLS-id_317457586,MCULE-6164749616,ZINC22_1772713985	627.69	XQOXPUWSVYHBRY-SACAOSOOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161680
NCCCC[C@@H]1n2nnc(c2)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N	PC-id_143644794	627.695	WNVYPKKLHSUBDR-OBMFMMATSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161681
NCCCC[C@@H]1n2nnc(c2)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC1=O)CCCNC(=N)N	PC-id_24990288,SCHEMBL14075648	627.695	WNVYPKKLHSUBDR-XWUOBKMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-161682
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(C(=O)NC(c2nnn(C1CCCCN)c2)Cc1ccccc1)CC(=O)O	PC-id_74381187	627.695	WNVYPKKLHSUBDR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161683
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)CCc1sc2c(cccc2)n1	MCULE-2361056014,ZINC22_1772713236,PC-id_137342187,EMOLS-id_317459888	627.712	AXHCRGZPACDBOO-MZXZQTHYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161684
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)C)n2	ZINC22_1704323555,PC-id_135091550,EMOLS-id_317365904,MCULE-3995223211	627.755	QVFGCFBLFARTGE-AJDBGRLRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161685
C1CCC(CC1)C[C@H]1C(=O)N[C@@H](CCC(=O)NCCCn2cc(C[C@@H](C(=O)N1)NC(=O)OCc1ccccc1)nn2)C(=O)S	PC-id_134823831	627.755	HHWIRJZYAIRPOM-SDHOMARFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161686
COC(=O)c1cc2c([nH]1)C(C(C)C)N([C@H](C(=O)N2Cc1ccccc1)Cc1ccccc1)Cc1ccc(cc1)OCc1ccccc1	PC-id_102395637	627.771	MEHWEOYKBJIXKR-FOCZVASCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161687
c1(SC(C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccs2)n1c1ccc(cc1)F	MCULE-9791248765,EMOLS-id_22701224,PC-id_5152242	627.773	WCPVDBDBFPIRTD-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-161688
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2cccs2)C)sc2c1CCCCC2	PC-id_98229744,CoCoCo_2662205	627.773	WCPVDBDBFPIRTD-QGZVFWFLSA-N	00000000100100110101100000000010000000000000000000000000	31-01-161689
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)F)CNC(=O)c2cccs2)C)sc2c1CCCCC2	PC-id_98229745,CoCoCo_2662206	627.773	WCPVDBDBFPIRTD-KRWDZBQOSA-N	00000000100100110101100000000010000000000000000000000000	31-01-161690
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)C(C)C	PC-id_137344916,MCULE-3913588750,ZINC22_1772714241,EMOLS-id_317512614	627.775	HCEJKINLSQKZTO-KERYWQKISA-N	00000000100000110101000000000010000000000000000000000000	31-01-161691
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)C1Cc2c(cccc2)C1	MCULE-1210586086,EMOLS-id_317514346,ZINC22_1772700634,PC-id_137334866	627.776	BMMXTYXILVUJOC-PPTMTGTBSA-N	00000010100000110101000000001010000000000000000000000000	31-01-161692
c12C(=O)NC(C(C(=O)O[C@@H](C(C)C)C(=O)N([C@@H](C(C)C)C(=O)N([C@@H](Cc3ccccc3)C(=O)N[C@H](c(sc1)n2)C)C)C)C)C	SCHEMBL2295537,PC-id_10461639,CHEMBL510424,CMNPD13258	627.795	HCDWKPJRUMSHJR-LYUNOVLRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161693
c1cccc(c1)C[C@H]1C(=O)N([C@H](C(=O)N[C@H](c2nc(C(=O)N[C@@H]([C@H](C(=O)O[C@H](C(=O)N1C)C)C)CCC)cs2)C)C(C)C)C	UNPD61609,PC-id_10985040,CMNPD12470,CHEMBL505257	627.795	LKFYCKOJWDHZOF-XJRDRPONSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161694
O=C1OC(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC(c2nc(cs2)C(=O)NC(C)C1C)C)Cc1ccccc1)C(C)C)C(C)C	CNP0313876,PC-id_85149565	627.795	HCDWKPJRUMSHJR-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161695
O=C1OC(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC(c2nc(cs2)C(=O)NC(CCC)C1C)C)C(C)C)Cc1ccccc1)C	CNP0115968,PC-id_73837267	627.795	LKFYCKOJWDHZOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161696
O=C1O[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](c2nc(C(=O)N[C@H]([C@@H]1C)C)cs2)C	UNPD72536	627.795	HCDWKPJRUMSHJR-SZNYPHRRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161697
s1c2ncc1C(=O)NC(C(C(=O)OC(C(=O)N(C(C(=O)N(C(C(C)C)C(=O)NC2C)C)Cc1ccccc1)C)C)C)CCC	PC-id_85130857	627.795	TUJVRUJWOIHHER-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161698
s1c2ncc1C(=O)N[C@@H]([C@H](C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@@H](C(C)C)C(=O)N[C@H]2C)C)Cc1ccccc1)C)C)C)CCC	PC-id_10394209	627.795	TUJVRUJWOIHHER-ZKKYLISVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161699
s1c2nc(C(=O)NC([C@H](C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@@H](C(C)C)C(=O)N[C@H]2C)C)Cc2ccccc2)C)C)C)CCC)c1	PC-id_21776534	627.795	LKFYCKOJWDHZOF-SQKZTABUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161700
COc1c(cc(cc1CN1CCCC1)C(C)(C)C)NC(=O)c1cc2c(n1C)C(=CCCC2)Oc1ccnc(n1)N1CCN(CC1)C	PC-id_143004256	627.819	WDMWXHDIJZHAPM-UHFFFAOYSA-N	00000010100010110111100000000010000000000000000000000000	31-01-161701
CNC/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)[C@H](CCCc2nc(C1)sc2)NC(=O)OC(C)(C)C)/C)C	SCHEMBL18123275,PC-id_122597443	627.834	AQRXLRYTDOSKPS-XMOCMIDVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161702
[Bi](c1c(Cl)c2-c(c1Cl)ccccc2)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	PC-id_86021061	628.131	PLUWZPJCNXSXIK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161703
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)CC(=O)OC	PC-id_4092143	628.137	QMMPSVKXDROMGX-AZPGRJICSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161704
c1(SC(C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1c1cccc(Cl)c1	PC-id_3511294,EMOLS-id_22701316,MCULE-7743806311	628.162	WTHHNRLVOQJSMI-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161705
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)Cl)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_98141936,CoCoCo_2662354	628.162	WTHHNRLVOQJSMI-QGZVFWFLSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161706
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)Cl)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_98141937,CoCoCo_2662353	628.162	WTHHNRLVOQJSMI-KRWDZBQOSA-N	00000000101000110101100000000010000000000000000000000000	31-01-161707
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/n(c2cc1)CCOC	PC-id_3561675	628.18	LBWUHZTXMVXBCB-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161708
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)CCOCC	PC-id_3255098	628.18	QHUYPOXLBMTMCS-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161709
C/C=C
/C(=O)N[C@H](C(=O)O[C@@H](CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=C(C=C3)O)/C=C/CCSC(=O)C)C(C)C	PC-id_163927694	628.203	RFXWURGSBAGCTG-PRCKACJJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161710
Clc1c(CNC(=O)COC2CC(NC2)C(=O)N2CCC(N3CCCC3)CC2)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_73303060	628.225	FQSPGOJFBPNDPD-UHFFFAOYSA-N	00000010100010110100100000000010000000000000000000000000	31-01-161711
Clc1c(CNC(=O)CO[C@@H]2C[C@H](NC2)C(=O)N2CCC(N3CCCC3)CC2)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_16666257	628.225	FQSPGOJFBPNDPD-VPUSJEBWSA-N	00000010100010110100100000000010000000000000000000000000	31-01-161712
Clc1c(CNC(=O)N2C(CC(OC)C2)C(=O)N2CCC(N3CCCC3)CC2)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_17953984	628.225	RIBXWDTWYCHBRT-UHFFFAOYSA-N	00000010100010110100100000000010000000000000000000000000	31-01-161713
Clc1c(CNC(=O)N2[C@@H](C[C@@H](OC)C2)C(=O)N2CCC(N3CCCC3)CC2)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_10282736,SCHEMBL1660615,CHEMBL362382,BindingDB_PC-id_10282736	628.225	RIBXWDTWYCHBRT-NAKRPHOHSA-N	00000010100010110100100000000010000000000000000000000000	31-01-161714
Clc1c(CNC(=O)N2[C@@H](CC(OC)C2)C(=O)N2CCC(N3CCCC3)CC2)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_69709147,SCHEMBL6219788	628.225	RIBXWDTWYCHBRT-NMXAJACMSA-N	00000010100010110100100000000010000000000000000000000000	31-01-161715
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NC1CN(C1)C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	PC-id_69077206,SCHEMBL4520777	628.498	REBZTGZXSJUGOY-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-161716
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CC(NC(=O)OC(C)(C)C)C2)cc1	SCHEMBL4522233,PC-id_69077778	628.498	HAYFZRMQWNEVJU-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-161717
Brc1c(OCc2ccccc2)c(OC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_4398028	628.534	IDVQAXBPESXGPD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161718
Brc1c(OCc2ccccc2)c(OC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_9668740	628.534	IDVQAXBPESXGPD-WCMJOSRZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161719
C=CCOc1c(I)cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1OC	ZINC22_408963956	628.564	KHRVYBNWOYHWES-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-161720
Brc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/n(c2cc1)C	PC-id_3593560	628.579	IKUZTEOMCNAIHJ-SOYKGTTHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161721
Brc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)CC	PC-id_4351096	628.579	MCQRIKYJIOPPLJ-SOYKGTTHSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161722
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCc1ccccc1C#N	ZINC22_408972993	628.579	RFBMQCJLCBHOHN-ZSNJKBEMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161723
Cc1cc(C)cc(NC(=O)c2c(/N=C/c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409010233	628.654	BNIUMRGIBYQQQP-JOXMEQDKSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161724
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)sc3c2CCCCCC3)c1	ZINC22_409018281	628.654	UJIDOZLAMAHPSS-JOXMEQDKSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161725
Cc1cccc(NC(=O)c2c(/N=C/c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)sc3c2CCCCCC3)c1C	ZINC22_409015308	628.654	OOYFMMIKJNJFLM-JOXMEQDKSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161726
Cc1ccc(NC(=O)c2c(/N=C/c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)sc3c2CCCCCC3)cc1C	ZINC22_409013998	628.654	LNKGMXAFKBCCEU-JOXMEQDKSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161727
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccc(nc1)C#N	EMOLS-id_317520550,MCULE-1618665369,PC-id_137343077,ZINC22_1772714333	628.678	MBJPGOFTKLHQRZ-LIKDZFNVSA-N	00000000100000111101000000000010000000000000000000000000	31-01-161728
CCCc1nc2c(n1Cc1ccc(c(c1)CCC(F)(F)F)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	PC-id_69182078,SCHEMBL4770071	628.705	GMAUFRYKMSPZKO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161729
CCCc1nc2c(n1Cc1ccc(c(c1)CCC(F)(F)F)c1ccccc1S(=O)(=O)Nc1onc(c1C)C)C(=O)CCCC2	SCHEMBL4773834,PC-id_69183635	628.705	UGNLKCGVFTVLNJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161730
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1ccc(cc1)CCC(C)(C)O	EMOLS-id_317456762,ZINC22_1772700230,MCULE-8560498122,PC-id_137336649	628.716	AJCKVTLLBRLSBZ-JHFSOIRNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161731
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)C1CCCC1	ZINC22_1772707831,EMOLS-id_317501563,PC-id_137336010,MCULE-2882434614	628.718	ZTSGMNIZCXPMNA-ZGOJTZKKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-161732
C1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Nc2nc(cs2)CS1)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CO)C(=O)N	PC-id_136210537	628.72	DDFARDBRWCPPKG-MLCQCVOFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161733
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cc2n(cccn2)n1	EMOLS-id_317502371,PC-id_137344871,MCULE-7590741250,ZINC22_1772713256	628.725	IEPNHDINDHYXAI-GIGWZHCTSA-N	00000000100000110101000001000010000000000000000000000000	31-01-161734
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cn2c(nccc2)n1	ZINC22_1772714433,MCULE-8926213361,PC-id_137344689,EMOLS-id_317514658	628.725	QFZCJXNSRVNHMN-YWEHKCAJSA-N	00000000100000110101000001000010000000000000000000000000	31-01-161735
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)c1ccccc1)C(=O)OCC	PC-id_18897663	628.758	ADXFQFGFUPOSBO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161736
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cccc2)C(=O)O)ccc1)c1ccccc1)C(=O)OC	PC-id_18897664	628.758	YPJDZRABOMPNHA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161737
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22699892,CoCoCo_2661171,ZINC22_100817247,PC-id_4245060,MCULE-8455922533	628.763	MMFPPKBUNGRBCJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161738
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc(OC)cc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18910001	628.801	RWSXDBJCSSWEHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161739
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)ccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18909869	628.801	PIHWURNILRASFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161740
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)COc2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18910925	628.801	XFFGGNBOEAESQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161741
s1cc2nc1C[C@H](OC(=O)C#C/C=C(/C[C@@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)C)C)/C=C(/C=C/CCCOC)C	PC-id_11456372	628.819	OGSYLWJXELVNRU-ATBYPBMVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161742
s1cc2nc1CC(OC(=O)C#CC=C(CC(OC(=O)CC(NC(=O)OC(C)(C)C)CC2C)C)C)C=C(C=CCCCOC)C	PC-id_72968698	628.819	OGSYLWJXELVNRU-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161743
Cc1c(cccc1NC(=O)c1cc2c(s1)CCCCC2)c1cn(c(=O)c(c1)Nc1ncc(cc1)N1CCN(CC1)CCS)C	PC-id_88882005,SCHEMBL12120958	628.85	BDDQZKVIPOBLNC-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-161744
CC(c1ccc(c2-c(c1)c(/C=C/C1=[N+]([O-])C(CC1)(C)C)cc2/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(C)(C)C)[O-])C)C	PC-id_11505514,SCHEMBL12743791	628.885	KKYJXSLQEIFVAW-RDQRJBEOSA-N	00000011100000000110000000000010000000000000000000000000	31-01-161745
[O-][N+]1=C(CCC1(C)C)C=Cc1c2-c(c(c1)C=Cc1c3-c(c(c1)C=[N+]([O-])C(C)(C)C)cc(C(C)C)ccc3C)c(ccc(c2)C(C)C)C	PC-id_72987472	628.885	KKYJXSLQEIFVAW-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-161746
CCCC[C@H](c1ccc(c(c1)[N+](=O)[O-])C(=O)O)NC(=O)N1Cc2nn(c(=O)n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC)CC	PC-id_140225190	629.061	YSCDSRHVENPRCK-SIKLNZKXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161747
CC[C@H](c1ccc(c(c1)[N+](=O)[O-])C(=O)OC(C)(C)C)NC(=O)N1Cc2nnc(n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC)O	SCHEMBL12980260,PC-id_70815225	629.061	GITKFZSYHZPUOJ-GHTZIAJQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161748
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)sc2c1CCCCCC2	ZINC22_408970307	642.433	FSDHNADAAUEGIF-MWBNBJEGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162155
Clc1cc(CC2Cn3c(n[nH]c3=O)CN(C2=O)C(=O)NC(CC)c2cc([N+](=O)[O-])c(cc2)C(=O)OC(C)(C)C)c(OC)cc1	PC-id_77928020	629.061	GITKFZSYHZPUOJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161749
CCN(CC)CCN1CCCc2c(C1=O)c(c([nH]2)C=C1c2c(ccc(c2)S(=O)(=O)Cc2c(cccc2Cl)Cl)NC1=O)C	SCHEMBL3141576,PC-id_87484946	629.597	MEVFTBSQABLLES-UHFFFAOYSA-N	00000010100000110100000000001010000000000000000000000000	31-01-161750
CCN(CCN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)Nc2c1cc(cc2)S(=O)(=O)Cc1c(Cl)cccc1Cl)CC	PC-id_25131280,SCHEMBL3141563	629.597	MEVFTBSQABLLES-XLNRJJMWSA-N	00000010100000110100000000001010000000000000000000000000	31-01-161751
Clc1c(CS(=O)(=O)C2CC=C3NC(=O)C(=Cc4[nH]c5c(C(=O)N(CCN6CCCC6)CCC5)c4C)C3=C2)c(Cl)ccc1	PC-id_70905789	629.597	STBXFRUZKPEATR-UHFFFAOYSA-N	00000010100011110100000000000110000000000000000000000000	31-01-161752
O=C1NC2=CCC(C=C2/C/1=C/c1[nH]c2c(c1C)C(=O)N(CCC2)CCN1CCCC1)S(=O)(=O)Cc1c(Cl)cccc1Cl	SCHEMBL13449390	629.597	STBXFRUZKPEATR-XLNRJJMWSA-N	00000010100011110100000000000110000000000000000000000000	31-01-161753
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)Cc1scc(c2ccc(cc2)F)n1	MCULE-4327475501,PC-id_137337715,EMOLS-id_317477506	629.703	HEOSTVPCIHPDCZ-MZXZQTHYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161754
c1(onc2ncccc12)C(=O)N1CCCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](c2nc(C)nn2CC(=O)NCCC1)C(C)C	MCULE-6255073269,EMOLS-id_317520037,ZINC22_1772714440,PC-id_137342406	629.709	QTCDNZCOXRIZLY-SQHAQQRYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-161755
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)Cc1cscn1	EMOLS-id_317496737,PC-id_137339261,ZINC22_1772713434,MCULE-7005273876	629.729	LXLRYCOAABIWQN-KWTBFXGESA-N	00000000100000110101000000000010000000000000000000000000	31-01-161756
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18910791	629.746	FUTPTDGMYHUSSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161757
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18910659	629.746	BHCKVNHBMMOLNH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161758
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19052576	629.746	IROXSGYABXXVCT-XHPQRKPJSA-N	00000000101000110100000000000010000000000000000000000000	31-01-161759
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73511730	629.746	IROXSGYABXXVCT-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-161760
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18910792	629.746	UXAGRGBFWZVPGE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161761
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18910660	629.746	ONYHGZVUDLJMOJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161762
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)COC	EMOLS-id_317492618,ZINC22_1772703424,MCULE-5666613791,PC-id_137338089	629.748	LIFOSCWVJYCSOO-FONBTEPMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161763
CC(c1ccc(c2-c(c1)c(C)cc2N=Nc1ccc(cc1)N=Nc1ccc(cc1)N=Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)C)C	PC-id_101551459	630.823	OSXBSYIAZADHCI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161812
CCN1[C@@H](CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](c2oc(C1CC)nn2)C)Cc1ccc(cc1)O	SCHEMBL18652880	629.748	XRMHLNZRTIFIRV-JYEYSIGWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161764
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc2c(CCO2)c1	MCULE-2088496009,ZINC22_1772714284,PC-id_137344182,EMOLS-id_317512869	629.749	JEWFPTJZNGVVJS-JOMNFKBKSA-N	00000010100000110101000000001010000000000000000000000000	31-01-161765
S(=O)(=O)(Nc1onc(c1C)C)c1c(c2c(CN3CCC(C3=O)(C)C)cc(Cn3c4c(nc3C)CCCCC4=O)cc2)cccc1	PC-id_20757771	629.769	MKPMFEMQOYHZQD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-161766
O=C(c1cccc(c1)[N+](=O)[O-])N1C=Nc2c([C@@H](C1)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)ncn2Cc1ccccc1	PC-id_59748430,SCHEMBL14105623	629.78	LWVQFVVJQPHRHA-JGCGQSQUSA-N	00000000100000110111000000000010000000000000000000000000	31-01-161767
[Si](OC1CN(C=Nc2n(cnc12)Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1)(C(C)(C)C)(c1ccccc1)c1ccccc1	PC-id_11961667	629.78	LWVQFVVJQPHRHA-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-161768
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-8021277435,PC-id_4420517,EMOLS-id_22700682,CoCoCo_2661660	629.791	MVIMEELUAFDFSU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161769
c1(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-9639759675,CoCoCo_2661223,PC-id_3494560,EMOLS-id_22699988	629.791	VCMDXRYUJBFMCM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161770
CCCCCC/C/1=Cc2coc(n2)[C@H](C)[C@H](O)C[C@H](O)/C=C/C=CC[C@@H]([C@H](OC1=O)C(C(/C=C(/C=C(C(OC)C)/C)C)C)O)O	PC-id_102585138	629.824	XELLNNDTPIGFOR-HHCIKZKKSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161771
CCCCCC/C/1=Cc2coc(n2)[C@H](C)[C@H](O)C[C@H](O)/C=C/C=CC[C@@H]([C@H](OC1=O)C(C(/C=C(/C=C(/C(OC)C)C)C)C)O)O	PC-id_102585141	629.824	XELLNNDTPIGFOR-CEOAHODGSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161772
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_19317640	629.855	OVSFKDINXVRUKB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161773
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19317510	629.855	KNHDTLQQPSAKIF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161774
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)c1ccccc1)C(=O)OC	PC-id_19317641	629.855	PLAYHXKSAQROEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161775
s1c2nc(C=C(C(=O)OC(C(O)C(C(O)C(=CC(=CC)C)C)C)C(CC=CC=CC(O)CC(O)C2C)C)CCCCCC)c1	PC-id_78079000	629.89	IZUFMSFBOBRRAS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161776
s1c2nc(/C=C(/C(=O)O[C@@H]([C@H](O)[C@H]([C@H](O)/C(=C/C(=C/C)/C)/C)C)[C@H](CC=CC=C[C@@H](O)C[C@H](O)[C@H]2C)C)CCCCCC)c1	PC-id_71471598	629.89	IZUFMSFBOBRRAS-JPMUSQFXSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161777
CC[C@H](c1ccc(c(c1)[N+](=O)[O-])C(=O)OC(C)(C)C)NC(=O)N1Cc2noc(=O)n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC	PC-id_70815216,SCHEMBL12980236	630.045	KTKGTRFECQWRLW-GHTZIAJQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161778
Clc1cc(CC2Cn3c(noc3=O)CN(C2=O)C(=O)NC(CC)c2cc([N+](=O)[O-])c(cc2)C(=O)OC(C)(C)C)c(OC)cc1	PC-id_77928017	630.045	KTKGTRFECQWRLW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161779
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2c2cccc(Cl)c2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661473,EMOLS-id_24429276,PC-id_3713250,MCULE-1982360409	630.201	HLCHVBUBPMDASD-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-161781
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)N1CCN(CC1C(=O)O)C(=O)O)Nc1c(cc(cc1)I)F)C	PC-id_90811365	630.428	YTIQWMMNHZHAHE-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161782
C=CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2C)CCCCCC3)cc1Br	ZINC22_409010199	630.434	AZWAGMAHOLZILY-VTNSRFBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161783
C=CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1Br	ZINC22_409015953	630.434	PXKYAHPFAJABNG-VTNSRFBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161784
C=CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)cc(C)c2)CCCCCC3)cc1Br	ZINC22_409013020	630.434	JTLULMHXAHUERX-VTNSRFBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161785
C=CCOc1c(Br)cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCCCC3)cc1Br	ZINC22_409015344	630.434	OVPYWRZIJTXAMG-VTNSRFBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161786
CCCCCC1=NC(C=C2C(=N1)N(C(=C)N2)CC3=CC=C(C=C3)CN4CCC(CC4)C5CCN(CC5)C(=O)CCCCCCN)N	PC-id_155067190	630.473	DCJDGQAVCCYYAC-UHFFFAOYSA-N	00000010000010110111100000000010000000000000000000000000	31-01-161787
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NC(CCCN=C(N)N)C(=O)O)cc1	SCHEMBL4514213,PC-id_69074716	630.474	KDCVTIFFZAMOMY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161788
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NCCN(C(=O)OC(C)(C)C)C)CC(CNC2=O)(C)C	SCHEMBL4508976,PC-id_69072455	630.514	FTHPLXXHCAWBSK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161789
CCCOc1c(I)cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1OC	ZINC22_408971573	630.58	JDCZIYIAQQXUMC-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-161790
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(I)c1OCC	ZINC22_408968950	630.58	DLKSPZXRUBLRCS-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-161791
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(I)c1OC(C)C	ZINC22_408973327	630.58	YJICRJQINBKJQY-VTNSRFBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161792
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)CCc1ccc(c(OC)c1)OC	PC-id_137344256,ZINC22_1772713709,EMOLS-id_317458612,MCULE-6616157226	630.689	PISVIUZAZNHYDN-PERMLSPLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161793
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)[C@@H]1CCCO1	EMOLS-id_317459324,PC-id_137337878,MCULE-6534863462,ZINC22_1772700328	630.691	CSRZIWIPGKLWGJ-MSUXDVSFSA-N	00000010100000110101000000000010000000000000000000000000	31-01-161794
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)[C@H]1CCCO1	MCULE-4610354382,EMOLS-id_317489267,ZINC22_1772700387,PC-id_137337959	630.691	CSRZIWIPGKLWGJ-UAXWJAQVSA-N	00000010100000110101000000000010000000000000000000000000	31-01-161795
O(C(=O)c1c2-c(c(c1)C(=C(C#N)C#N)C(=C(C#N)C#N)C#Cc1c3-c(cc(C(C)C)ccc3)c(c1)C(=O)OC)cccc(C(C)C)c2)C	PC-id_71489314	630.691	SXYOQODJGVVFTI-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-161796
[Bi](Cl)(c1c(Cl)c2-c(c1Cl)ccccc2)c1c(Cl)c2-c(c1Cl)ccccc2	PC-id_86021049	636.539	KRTSXKMTINZYCK-UHFFFAOYSA-M	00000010100000000110000000000010000000000000000000000000	31-01-161966
c1(cc(cn1C)C#N)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	EMOLS-id_317509029,ZINC22_1772714177,PC-id_137341891,MCULE-9848866522	630.694	DKPDZLZMXUBHQV-NIJXNBFTSA-N	00000000110000110101000000000010000000000000000000000000	31-01-161797
S(=O)(=O)(NC(CNC(=O)c1nn2CCCN(CCc3ccncc3)C(=O)c2c1)C(=O)OCc1ccccc1)c1ccc(cc1)C	PC-id_85174744	630.714	LTWNCQWFYVVCBF-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-161798
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s1c2nc(/C=C(/C(=O)OC(C(O)C(O)C(C(O)/C(=C/C(=C/C)/C)/C)C)CC=CC=CC(O)CC(O)C2C)CCCCCC)c1	PC-id_9874042	631.863	CGUNOWXWUXNOPE-XQAJBVHTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161861
s1c2nc(/C=C(/C(=O)O[C@@H]([C@H](O)[C@H]([C@H](O)/C(=C/C(=C/C)/C)/C)C)[C@@H](O)CC=CC=C[C@@H](O)C[C@H](O)[C@H]2C)CCCCCC)c1	PC-id_25145867	631.863	PYRHQOMSRZQEKL-JASWENICSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161862
s1c2nc(/C=C(/C(=O)O[C@@H]([C@H](O)[C@@H](O)C(C(O)/C(=C/C(=C/C)/C)/C)C)CC=CC=C[C@H](O)C[C@@H](O)[C@@H]2C)CCCCCC)c1	PC-id_16753327	631.863	CGUNOWXWUXNOPE-DGPPXRBDSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161863
s1c2nc(/C=C(/C(=O)O[C@H]([C@@H](O)[C@H](O)[C@H]([C@H](O)/C(=C/C(=C/C)/C)/C)C)CC=CC=C[C@@H](O)C[C@H](O)[C@H]2C)CCCCCC)c1	PC-id_25137628	631.863	CGUNOWXWUXNOPE-JASWENICSA-N	00000000100000000111000000000010000000000000000000000000	31-01-161864
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(I)c1OCC(=O)O	ZINC22_408970680	632.51	BWFHQNGLOYYVRV-OKCVXOCRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161865
Clc1c(COc2c(OCC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc(Cl)c1	PC-id_4121674	632.555	LRHKMCWJEFSUND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161866
Clc1c(COc2c(OCC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)ccc(Cl)c1	PC-id_9648165	632.555	LRHKMCWJEFSUND-MHDJOFBISA-N	00000000100000110100000000000010000000000000000000000000	31-01-161867
Clc1c(COc2c(OCC)cc(C=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)c(Cl)ccc1	PC-id_4115841	632.555	VZLBRNORPZCZNK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161868
Clc1c(COc2c(OCC)cc(/C=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)cc2)c(Cl)ccc1	PC-id_9647845	632.555	VZLBRNORPZCZNK-MHDJOFBISA-N	00000000100000110100000000000010000000000000000000000000	31-01-161869
Clc1c(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)cc2)ccc(Cl)c1	PC-id_3325446	632.555	KKQCTSPCLGXATA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161870
Clc1c(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/C)cc2)ccc(Cl)c1	PC-id_9664512	632.555	KKQCTSPCLGXATA-KVAAJVFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161871
Clc1c(COc2c(OC)cc(C(=NNC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)cc2)c(Cl)ccc1	PC-id_3553353	632.555	CCDWGQUJVNMNEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161872
Clc1c(COc2c(OC)cc(/C(=N/NC(=O)C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/C)cc2)c(Cl)ccc1	PC-id_9625454	632.555	CCDWGQUJVNMNEI-KVAAJVFYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161873
CCC1=c2n(CCCN3C4CCC3CN(C4)CC(=O)c3ccccn3)cc(c2=CC=CC1)C(=O)NCc1ccc(c(c1)Cl)Cl	PC-id_143502775	632.622	PXGUCMFLLJLAFO-UHFFFAOYSA-N	00000010100010111111000000000110000000000000000000000000	31-01-161874
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C(=O)OCC	PC-id_4609403	632.687	IUVUKSCITPSHPC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-161875
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OC)C(=O)OC	PC-id_4345951	632.687	OPUQOUJRSOAHNG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-161876
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CCOCC	ZINC22_1772714462,MCULE-2344180474,PC-id_137340620,EMOLS-id_317512619	632.707	RTSPGWKGQZQQFY-FDJWOJMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161877
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1ccc(cc1)C(=O)O	ZINC22_1772701602,EMOLS-id_317489544,MCULE-3253752218,PC-id_137335692	632.707	ANLPEAAWPMHWIA-SACAOSOOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161878
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)C(c1ccccc1)c1ccccc1	PC-id_137344613,ZINC22_1772713418,EMOLS-id_317493419,MCULE-1118618439	632.707	KZGOPEYMXCQFBW-HHPBIKOWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161879
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)Cc1ccc(cc1)c1ccccc1	ZINC22_1772700537,PC-id_137335168,EMOLS-id_317511543,MCULE-1470888132	632.707	CJMZROCACGKLSO-ABGRUQAOSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161880
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cnc(cn1)C(=O)N	ZINC22_1772714024,MCULE-2384438730,PC-id_137340790,EMOLS-id_317503656	632.713	WXCOCTGIQNGUQX-AMGIVPHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161881
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cccnc1OCC	MCULE-3173039314,EMOLS-id_317490860,PC-id_137343396,ZINC22_1772713302	632.753	IZRKNRNXVLMCHA-UHSQPCAPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-161882
C[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCCN(Cc2cc(no2)C(=O)N1)Cc1cnc(cc1)N(C)C)Cc1ccccc1)CC(C)C	PC-id_137342391	632.753	FIXPWFVJJOTGOR-GDKKVTFASA-N	00000000100000111101000000000010000000000000000000000000	31-01-161883
CC(c1ccc(c2-c(c1)c(cc2C(=O)C)C(=O)c1cc(c2-c1ccccc2)C(=O)c1cc(c2-c1cc(ccc2C)C(C)C)C(=O)C)C)C	PC-id_102042073	632.786	HAYDBTDYAAGVJQ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-161884
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)c1ccccc1)C(=O)OCC	PC-id_18897927	632.789	JELHKOGOASWTRB-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-161885
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)c1ccccc1)C(=O)OC	PC-id_18897928	632.789	YMLMTBXEJZMVJQ-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-161886
COCCN1CCN(CC1)c1ccc(nc1)Nc1cc(cn(c1=O)C)C1=C(F)C(CC=C1)NC(=O)c1cc2c(s1)CCCCC2	PC-id_143646144	632.791	ZOQBYKCPVNWHDP-UHFFFAOYSA-N	00000000100011101101100000000010000000000000000000000000	31-01-161887
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N(c1ccc(C(c2c3-c(c(C(c4ccc(N(C)C)cc4)c4ccc(N(C)C)cc4)c2)ccccc3)c2ccc(N(C)C)cc2)cc1)(C)C	PC-id_15778691	632.879	PGUIESPJLHSSAY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161889
C1COc2c(sc(c2OC1)C(=O)NCCSSC(=O)C(CS)N)C(=O)NCCSSC(=O)C(CS)N	PC-id_89255705	632.904	MWBVLLPJDARASY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161890
C1COc2c(sc(c2OC1)C(=O)NCCSSNC(CS)C=O)C(=O)NCCSNC(CS)C(=O)S	PC-id_89252526	632.904	QQBFZPXRBBSFCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161891
SC[C@@H](C(=O)SSCCNC(=O)c1sc(c2c1OCCCO2)C(=O)NCCSSC(=O)[C@H](CS)N)N	SCHEMBL14136057	632.904	MWBVLLPJDARASY-QWRGUYRKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161892
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ICn1c2C(OCc3ccccc3)CCN(CCCN3CCN(CC3)c3ccc(Cl)cc3)C(=O)c2cc1	PC-id_70162586,SCHEMBL7687633	632.963	HSKSZYOGUSLOBL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161894
s1c(N(Cc2ccccc2)Cc2ccccc2)c2SSSSSc2c1N(Cc1ccccc1)Cc1ccccc1	PC-id_85843288	632.968	HYMSMOTZJBGSEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161895
c1(c(CCCCCCCCCCCCCCCCC)cc2-c1cccc(c2)C(C)C)CCCCCCCCCCCCCCCC	PC-id_19996694	633.127	YMLFOYSATXPOTN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-161896
Clc1ccc(CC(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)c3ccccc3)ccc2)cc1	PC-id_18909471	633.22	KUGQSDOEBXVIGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161897
Clc1ccc(CC(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)c3ccccc3)ccc2)cc1	PC-id_18909472	633.22	UKOFJRLMQNEDKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161898
Clc1cc(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c3ccccc3)ccc2)ccc1	PC-id_18910529	633.22	MFZKXOJYSWJYGQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161899
IC1NC(CN(C(=O)C2CC2)c2c1nn(CCC1CCN(CC1)C(=O)OC(C)(C)C)c2)Cc1ccccc1	PC-id_74395950	633.564	KWWVXRQTYGYQJC-UHFFFAOYSA-N	00100000100010110101000000000010000000000000000000000000	31-01-161900
I[C@H]1NC(CN(C(=O)C2CC2)c2c1nn(CCC1CCN(CC1)C(=O)OC(C)(C)C)c2)Cc1ccccc1	PC-id_25144165	633.564	KWWVXRQTYGYQJC-NASUQTAISA-N	00100000100010110101000000000010000000000000000000000000	31-01-161901
CCOC(=O)c1cc(c2-c1ccc(cc2)N(c1ccc2-c(cc1)c(cc2C(=O)OCC)C(=O)OCC)c1ccccc1)C(=O)OCC	PC-id_102353018	633.686	ALKTVHZAVWWZDW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-161902
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccnc(OC)c1	ZINC22_1772714183,MCULE-8795072437,PC-id_137345597,EMOLS-id_317510056	633.695	DUHKVMKGWNVQBR-NIJXNBFTSA-N	00000000100000111101000000000010000000000000000000000000	31-01-161903
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1c(C)nccc1c1ccccc1	PC-id_137335792,ZINC22_1772701158,MCULE-8561712614,EMOLS-id_317511800	633.695	IXIZLDWTKAWZFS-WMRGTZNCSA-N	00000000100000111101100000000010000000000000000000000000	31-01-161904
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c1(ccc(=O)n(C)c1)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	MCULE-3152029914,ZINC22_1772702168,EMOLS-id_317464449,PC-id_137334801	633.695	AFPVRUNDSUGNFL-NIJXNBFTSA-N	00000000100000111101000000000010000000000000000000000000	31-01-161905
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cc[nH]c1	MCULE-9658056801,EMOLS-id_317897408,ZINC22_1772817570	633.741	DUCJSNHHSKOXMU-MCPPRULHSA-N	00000000110000110101000000000010000000000000000000000000	31-01-161907
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CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2Cc2ccccc2)sc2CCCCCc12	PC-id_3429005,EMOLS-id_22700576,CoCoCo_2661593,MCULE-8900193424	633.781	HUMZRYFATAHTAQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161917
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)CCn1c(C)cc(C)n1	PC-id_137334833,MCULE-4070153748,ZINC22_1772702884,EMOLS-id_317476492	633.784	FCMPJNBTVIXUFO-JOMNFKBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161922
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)CCn1ccnc1CC	EMOLS-id_317507246,MCULE-2502130889,PC-id_137339863,ZINC22_1772714176	633.784	DIZCVUPGCIRMBT-NEEKEDPPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161923
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOC)ccc(c2)C(=O)OCC)C(=O)OCC	PC-id_3374141	633.799	VGWHLHPUFVPUGG-YCNYHXFESA-N	00000000100000100101000001000010000000000000000000000000	31-01-161924
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOCC)ccc(c2)C(=O)OCC)C(=O)OC	PC-id_3644071	633.799	RTGZDDCYZCGOPJ-YCNYHXFESA-N	00000000100000100101000001000010000000000000000000000000	31-01-161925
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOCC)ccc(c2)C(=O)OC)C(=O)OCC	PC-id_5196666	633.799	VRYQJWXYCGUOOK-YCNYHXFESA-N	00000000100000100101000001000010000000000000000000000000	31-01-161926
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)ccc(OCC)c2)C(=O)OCC	PC-id_4439120	633.799	CGIHCVUJSKTPCZ-YCNYHXFESA-N	00000000100000100101000001000010000000000000000000000000	31-01-161927
Cc1c2-c(c(cc2C=Cc2cc(c3-c2c(ccc(c3)C(C)C)C)C=[N+](C(C)(C)C)[O-])C=NNC(=O)C[N+](C)(C)C)cc(cc1)C(C)C	PC-id_88955522	633.885	TULWSYKIQDDSBB-UHFFFAOYSA-O	00000010100000000110000000000010000000000000000000000000	31-01-161928
O=C(C[N+](C)(C)C)N/N=C/c1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(C)(C)C)[O-]	SCHEMBL12743805	633.885	TULWSYKIQDDSBB-GHKAETOFSA-O	00000010100000000110000000000010000000000000000000000000	31-01-161929
O[C@@H]1C[C@H](OC1Cn1cnc2c1N=C(Cl)C(=C)C=C2NCCc1ccc(cc1)c1ccccc1)CS[C@@H]1CN[C@@H](C1)C(=O)O	PC-id_143265791	634.188	PNTUANCMAHWRIO-QQFDSYCMSA-N	00000010100000110111100000000010000000000000000000000000	31-01-161930
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccc(cc3)Cl)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-7667039361,CoCoCo_2661415,EMOLS-id_22700300,PC-id_4154426	634.21	KLWZQJDAXXISDH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161931
CC1=C2C(=NN1CC3=CC=C(C=C3)OC)C(=CN(CC2(C)C)C(=O)C4=CC(=C(C=C4)OCCN5CCOCC5)F)C(=O)OC(C)C	PC-id_147134210	634.317	BQVGTIYROWCZMU-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-161932
s1c2c(CCCCCC2)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#N	PC-id_4285367	634.377	DJQFFRBEZMYFFY-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-161933
Clc1cc(CC2n3c(nnc3CCN(C2=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC2NCCCC2)ccc1Cl	PC-id_10145995	634.443	BBCMUNONBKTNAY-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161934
Clc1cc(CC2n3c(nnc3CCN(C2=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CN2CCCCC2)ccc1Cl	SCHEMBL5234154,PC-id_10168245	634.443	ZWOXXYRXOYBVRM-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-161935
CCC(C1=C(CC=c2c(=C1)[nH]c(c2)C(=O)c1cnn(c1N)c1cnc(cc1C)Oc1ccccc1F)OC(F)F)CCNC(=O)C	PC-id_145211786	634.648	UEIONQAPLWFNCD-UHFFFAOYSA-N	00000000100000111111100000000010000000000000000000000000	31-01-161936
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1cccc(Oc2ccccc2)c1	EMOLS-id_317490572,PC-id_137338156,MCULE-1590940333,ZINC22_1772705711	634.68	ZDQJXFWTGHCRJU-WMRGTZNCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161937
c1(cnc(nc1c1ccccc1)C)C(=O)N1CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2noc(C1)c2	MCULE-7922280665,EMOLS-id_317495674,ZINC22_1772706393,PC-id_137334273	634.683	QDVJGPRUYIDJDW-MSFWWKAZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161938
S(=O)(=O)(NC(Cc1c2c([nH]c1)cccc2)C(=O)N/N=C/c1ccc(cc1)C(F)(F)F)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_60194180	634.711	YZMGMMRYWGVVME-KZEIVMGFSA-N	00000010100000110110000001100010000000000000000000000000	31-01-161939
S(=O)(=O)(NC(Cc1c2c([nH]c1)cccc2)C(=O)NN=Cc1ccc(cc1)C(F)(F)F)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_72678470	634.711	YZMGMMRYWGVVME-UHFFFAOYSA-N	00000010100000110110000001100010000000000000000000000000	31-01-161940
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)CCc1ccnn1C	PC-id_137339402,EMOLS-id_317518764,MCULE-1601334285,ZINC22_1772713337	634.726	DLMDRZYEHGMFFG-LPPUWEFUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161941
c1(cc(nn1CC)C)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	ZINC22_1772713506,PC-id_137340016,EMOLS-id_317491878,MCULE-2875623010	634.726	OJCXVNXJVIAORF-NQHRYMMQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161942
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)ccc([N+](=O)[O-])c2)C(=O)OCC	PC-id_4248774	634.744	MEBKWPSEYSQQHB-OHYPFYFLSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161943
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CCc3c(C)noc3C)CCCNC(=O)Cn1nc(C)n2	EMOLS-id_317471619,MCULE-7509566857,PC-id_137337584,ZINC22_1772704594	634.769	JOYMBWDUOBXSDB-JOMNFKBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161944
CCCCOC[C@H]1O[C@@](O)(c2cccc(c2)Cc2cc(c3-c2ccccc3)C)[C@@H]([C@H]([C@@H]1OCCCC)OCCCC)OCCCC	PC-id_71219451,SCHEMBL14621964	634.885	NQOMCMKAABKWKD-DTQLOPILSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161945
O1C(O)(C(OCCCC)C(OCCCC)C(OCCCC)C1COCCCC)c1cc(ccc1)Cc1c2-c(c(c1)C)ccccc2	PC-id_78039559	634.885	NQOMCMKAABKWKD-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161946
c1(C(=O)N2CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3noc(C2)c3)nc2n(cc(cc2)Cl)c1F	EMOLS-id_317490290,MCULE-4933169715,ZINC22_1772700414,PC-id_137337929	635.044	DJGZWHYEIDSCHY-ILWKUFEGSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161947
CCCCCCCCCCCCCCCCCCOc1ccc(cc2-c1c(CCCCCCCCCCCCCC)cc2)C(C)C	SCHEMBL9876488,PC-id_19815661	635.1	QTJWUQBNQMJGHN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-161948
Clc1c(c2-c(c1C(=O)OCC)ccc(cc2)C#Cc1ccc2-c(c(c(Cl)c2C(=O)OCC)C(=O)OCC)cc1)C(=O)OCC	PC-id_23567958	635.487	AFNVDVAEJIGDBW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-161949
Fc1cc(cc(c1)F)C[C@@H](c1ncccc1c1ccc(c(c1)S(=O)N)F)NC(=O)Cn1nc(c2c1CCCCC2)C(F)(F)F	PC-id_144505330	635.623	DSUUPOJVSTVICF-QBVXQFKTSA-N	00000000100000111101100000000010000000000000000000000000	31-01-161950
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)CC(=O)Nc1ccn(C)n1	PC-id_137343337,MCULE-9808944188,EMOLS-id_317482919,ZINC22_1772713269	635.714	FSLUNJCIKAONFG-AGILITTLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161951
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)CCCn1cncn1	EMOLS-id_317500582,ZINC22_1772713362,PC-id_137344622,MCULE-8856793926	635.714	KIXXJFXVASDZAR-NQHRYMMQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161952
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1c(cccc1F)OC	PC-id_137345185,EMOLS-id_317456822,MCULE-9014559341,ZINC22_1772713798	635.729	UATCJGVMGBSILO-RNAHPLFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161953
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(c(F)c1)OC	PC-id_137335977,MCULE-4556015621,ZINC22_1772701636,EMOLS-id_317484401	635.729	GIQFXVVKOGRBIE-VIZCGCQYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161954
CC1CC=CNC(=NCC2CCN(C2)C(=O)OC(C)(C)C)c2c1n(c(n2)C#CCOC(=C(C)F)C(=C)F)Cc1ccc(cc1)OC	PC-id_137156573	635.744	UKKKUYDOIUTOPX-UHFFFAOYSA-N	00000010100000110111000000000010000000000000000000000000	31-01-161955
s1c2c(CCCCCC2)c(c1NC(=O)COC(=O)c1ccc(N2C(=O)C(Sc3cc(N)ccc3)CC2=O)cc1)C(=O)OCC	PC-id_18893926	635.75	RFWOTTSLLCQZKY-UHFFFAOYSA-N	00000010100000110100100000000010000000000000000000000000	31-01-161956
s1c2c(CCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c2cc(OC)c(OC)c(OC)c2)c1C#N)C#N)C(=O)OCC	PC-id_23861614	635.754	ZJVKNKKBGWNIJA-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-161957
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c2cc(OC)c(OC)c(OC)c2)c1C#N)C#N)C(=O)OC	PC-id_23746208	635.754	NYCBHGFPTJECGR-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-161958
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC)ccc(c2)C(=O)OCC)C(=O)OCC	PC-id_4576886	635.772	QYHMTGPXTGYRMS-SJCQXOIGSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161959
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC(=O)OCC)ccc(c2)C)C(=O)OCC	PC-id_3512618	635.772	KAUYDTWVYIDCBX-SJCQXOIGSA-N	00000000100000100101000001000010000000000000000000000000	31-01-161960
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cnc(nc1)SC	EMOLS-id_317474933,PC-id_137336827,ZINC22_1772704236,MCULE-7715488826	635.78	SHDHMSJYSBKEQW-SQHAQQRYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161961
c1(NC(=O)CSc2c3ccccc3n(CCNC(=O)c3ccc(c(OC)c3)OC)c2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22702590,CoCoCo_2000095,MCULE-5461989732,PC-id_3653925	635.793	YNJMLOJVYYDXQT-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-161962
CC/C(=C(C(=C/C(N1CCN(CC1)C1=CCC=CC=C1F)C)O)/N)/NC(=O)CC1CC=CCc2c1[nH]n(c2=O)CCN1CCCC1	PC-id_142890700	635.815	DSPVARXLGGIBHY-QWCDEGLWSA-N	00000010100010000111100000000010000000000000000000000000	31-01-161963
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cc(Br)ccc3OCc3ccccc3Cl)sc3c2CCCCCC3)c1	ZINC22_408968704	636.041	BMPBUHCMOYANAL-ODNPBWNPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161964
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cc1ccc(cc1)Cl	MCULE-5986024475,EMOLS-id_317513900,PC-id_137343732,ZINC22_1772714397	636.184	OPRRRAYYDLJNIK-JOMNFKBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161965
O=C(Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)NCc1c2CCCCc2sc1C(I)(F)F	SCHEMBL19557065	636.557	WANSPSKLPDCLKI-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-161967
CCOc1ccc(cc1[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)Cc1cc2-c(c1C(=O)O)ccccc2	PC-id_140065436	636.642	HSWULWRHKKZXNI-AGLXMARUSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161968
CCOc1ccc(cc1[C@@H]1O[C@H](COC(=O)C)[C@@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)Cc1cc2-c(c1C(=O)O)ccccc2	PC-id_69382478,SCHEMBL5275185	636.642	HSWULWRHKKZXNI-IROHOENBSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161969
COc1ccc(cc1[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)Cc1cc2-c(c1C(=O)OC)ccccc2	SCHEMBL14590100,PC-id_58786103	636.642	VGIKNHKFKOGTLD-AGLXMARUSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161970
COC1(OC(COC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)c1cc(ccc1OC(=O)C)Cc1cc2-c(c1)ccccc2	SCHEMBL14339158,PC-id_59029777	636.642	WONRZZYJLFNMAS-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161971
COC1(O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)c1cc(ccc1OC(=O)C)Cc1cc2-c(c1)ccccc2	SCHEMBL5431526,PC-id_11671826	636.642	WONRZZYJLFNMAS-BKJHVTENSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161972
CO[C@]1(O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)c1cc(ccc1OC(=O)C)Cc1cc2-c(c1)ccccc2	SCHEMBL5431531,PC-id_69438695	636.642	WONRZZYJLFNMAS-RUOAZZEASA-N	00000010100010110110100000000010000000000000000000000000	31-01-161973
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C)c1cc(Cc2c(c3-c(c2)ccccc3)C(=O)OC)ccc1OC	PC-id_72423599	636.642	VGIKNHKFKOGTLD-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161974
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C)c1cc(ccc1OCC)Cc1c(c2-c(c1)ccccc2)C(=O)O	PC-id_77644282	636.642	HSWULWRHKKZXNI-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-161975
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccccc1	PC-id_137336908,ZINC22_1772700717,EMOLS-id_317515119,MCULE-5701646822	636.697	DRCPEJTZKOGLRD-QKZGOTKPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161976
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)CCn1c(C)nnn1	MCULE-6742666084,PC-id_137339461,ZINC22_1772713996,EMOLS-id_317484448	636.702	ZWAMCBYGXIPGKP-CTUHWIOQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-161977
C[C@@H]1NC(=O)c2cc(CN(CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC1=O)S(=O)(=O)C1CC1)on2	PC-id_137335128,MCULE-6553684578,ZINC22_1772705319,EMOLS-id_317493628	636.719	MIEIBURLNHLJHM-LZYPDUGYSA-N	00100000100000110101000000000010000000000000000000000000	31-01-161978
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1cn(nc1C)CCO	MCULE-6551131872,EMOLS-id_317521325,PC-id_137340439,ZINC22_1772713419	636.742	IAMMYNDPJIVHCO-GDKKVTFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-161979
CN1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	GD-id_ZINC28101423,PC-id_11490613,CHEMBL413748,BindingDB_PC-id_11490613	636.803	YPSIHJNQRAZCEE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161980
CN(C)C1CCN(C(=O)COc2cc(C(=O)N3CCCCc4sccc34)ccc2NC(=O)c2ccccc2c2ccccc2)CC1	PC-id_11422294,CHEMBL177885,BindingDB_PC-id_11422294	636.803	KLCAZWBNRXOFBZ-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-161981
NC1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750499	636.803	JXIPYCVAJQDALQ-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-161982
O=C1NCCCCCc2nnc(o2)CC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC1)C(=O)S)CC1CCCCC1)NC(=O)OC(C)(C)C	PC-id_117094715	636.803	KERWQKDAGBIPRQ-FKBYEOEOSA-N	00000000100010000101000000000010000000000000000000000000	31-01-161983
c1(NC(=O)c2cccc(c2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)sc2c(CCCCC2)c1C(=O)OCCC	CoCoCo_6785999,SPECS-id_AK-968/12571088,TIMTEC467696,ZINC22_8432269,PC-id_3644288,EMOLS-id_4201652,MCULE-4730664447	636.821	TXJYUQUTVODHQK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161984
c1(NC(=O)c2cccc(c2)C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)sc2c(CCCCCC2)c1C(=O)OCC	PC-id_3415410,SPECS-id_AK-968/13031023,EMOLS-id_4201650,ZINC22_8443735,CoCoCo_6787114,MCULE-7212809535,TIMTEC353950	636.821	OGMSZYFQSNEDJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161985
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cc1)C(=O)OCCC	PC-id_4155315	636.821	GKNMQTYYJJSDLO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161986
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cc1)C(=O)OC(C)C	PC-id_4341041	636.821	XJKNQOJDDKVXKK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161987
s1c2c(CCCCC2)c(c1NC(=O)c1cc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)ccc1)C(=O)OC(C)C	PC-id_5235437	636.821	SNCDKDIGAYCTGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161988
s1c2c(CCCCC2)c(c1NC(=O)c1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)cccc1)C(=O)OC(C)C	PC-id_3455431	636.821	PVKUYTRNJNPZHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161989
s1c2c(CCCCC2)c(c1NC(=O)c1c(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)cccc1)C(=O)OCCC	PC-id_3679241	636.821	BQXIQERWWBLZQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161990
s1c2c(CCCCCC2)c(c1NC(=O)c1ccc(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cc1)C(=O)OCC	PC-id_3258858	636.821	IZHBWHJANVKBCX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161991
s1c2c(CCCCCC2)c(c1NC(=O)c1c(C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)cccc1)C(=O)OCC	PC-id_4670439	636.821	CRWPECFTWMILCM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-161992
CCN1CCN(CC1)CCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750468	636.846	CFJCMPYDNIIBDV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161993
CN1CCCN(CC1)CCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750521	636.846	HRXVPQYBOUQAGA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-161994
CN1CCN(CC1)CCCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750512	636.846	YHDWGEBKZCSBTK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-161995
CN(C1CCN(CC1)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2)C	PC-id_139750482	636.846	HFPPSRPBUVNJPB-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-161996
CCCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCCCCC)CCCCCCC	PC-id_19102890,SCHEMBL9339075	636.906	MKJOLKUPHXPQLA-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-161997
CCCCCCCCc1cc2c(cc(c1=O)CCCCCCCC)nc(n2Cc1ccc(cc1)c1ccccc1C(=O)O)CCCC	PC-id_19102880,SCHEMBL9335704	636.906	ORCVXMUBWDONPH-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-161998
CCCCCCCCCCCCOC(=O)CC1(COc2c(OC1)c(sc2C)C)CC(=O)OCCCCCCCCCCCC	SCHEMBL13104072,PC-id_57857288	636.965	FJLNBTKIPYWKFM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-161999
Clc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)F)C(=O)c1c(sc2c1CCCCC2)NS(=O)(=O)c1ccc(cc1)F	PC-id_11714338,SCHEMBL4141402	637.137	LELHRXOGVOJPIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162000
CC1=NN2CCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C2=N1)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=CC=CC=C5C(F)(F)F	PC-id_165420496	637.299	FZUBBZYKEWFTMN-WUFINQPMSA-N	00000000100000110101000001100010000000000000000000000000	31-01-162001
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NC(Cc2ccc(O)cc2)C(=O)O)cc1	SCHEMBL4511504,PC-id_69073581	637.462	DPMYBWGPFDXRMC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162002
O=C(Nc1sc2c(c1C(=O)OC(C)(C)C)CCCCC2)NCc1c2CCNCc2sc1C(I)(F)F	SCHEMBL19558356	637.545	KDXWXWMPARGAGB-UHFFFAOYSA-N	00000000100010000100000000010010000000000000000000000000	31-01-162003
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)NC1CCCCN)c2	PC-id_74956640	637.649	JSZXRMZPSXCIAM-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162004
O=C1N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)N[C@H]1CCCCN)c2	PC-id_44224851	637.649	JSZXRMZPSXCIAM-KKUMJFAQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162005
Cc1oc(c2ccccc2)nc1CC(=O)N1CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2cc(on2)C1	ZINC22_1772707135,MCULE-9541501129,PC-id_137336530,EMOLS-id_317461125	637.683	ZJTCAMFTRGITGM-PERMLSPLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162006
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccccn1	PC-id_137336674,ZINC22_1772701286,MCULE-3544884424,EMOLS-id_317515118	637.685	JZIBOOKUKNQLGD-ZGOJTZKKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162007
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)c1cccnc1	EMOLS-id_317520804,ZINC22_1772714274,MCULE-1566449325,PC-id_137341962	637.685	IUHCGSRYXSZXAY-ZGOJTZKKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162008
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccncc1	ZINC22_1772713065,EMOLS-id_317498796,PC-id_137340558,MCULE-6245756336	637.685	BIWGXTSTSSJMBL-ZGOJTZKKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162009
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cc1cc(F)cc(F)c1	PC-id_137339884,MCULE-2511777790,ZINC22_1772714255,EMOLS-id_317517733	637.72	HRJYNQVFHZXKBE-JOMNFKBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162010
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4134389,EMOLS-id_22699696,CoCoCo_2661055,MCULE-5930924660	637.745	KQFYTEMYDGBACL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162011
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4660859,MCULE-8951662445,CoCoCo_2661724,EMOLS-id_22700786	637.745	LJOPTLTXEGMSNG-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162012
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700556,MCULE-6213694990,PC-id_3429000,CoCoCo_2661583	637.745	GEHYFKSKBFNLGT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162013
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4082664,CoCoCo_2661361,EMOLS-id_22700208,MCULE-6600391312	637.745	WJYAZFWZJDDVMD-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162014
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2c2ccccc2OC)sc2CCCCCc12	MCULE-8150898447,EMOLS-id_22700746,PC-id_4182056,CoCoCo_2661697	637.745	DOZUHMMJIVHYNX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162015
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(F)c3)n2c2ccccc2OC)sc2CCCCCc12	PC-id_4660400,CoCoCo_2661558,EMOLS-id_22700514,MCULE-1642283955	637.745	NKHACAYMPLGZIT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162016
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)Cc1csc(C)n1	EMOLS-id_317510266,MCULE-9818322229,ZINC22_1772703425,PC-id_137337145	637.75	XBMPRMDMMZTZPI-UKDVSSAZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162021
CCOC1=c2occ(c2=CC(CC1)C(C(=O)NS(=O)(=O)N(C)C)Nc1ccc(cc1)C(=NC(=O)c1cc(N)cc(c1)NC)N)C	PC-id_142979046	637.75	DOQRJFINHCYCEK-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-162022
C[C@H]1C/C(=C/C=CC(=O)O[C@@H](Cc2nc(cs2)CCC[C@@H](C(=O)O1)NC(=O)C(F)(F)F)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	SCHEMBL20109906,PC-id_134471865	637.753	IXXUUGCDSDJAIZ-YSUJDPHOSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162023
c1(SC(C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1c1ccc(cc1)OCC	MCULE-6508142277,PC-id_4217725,EMOLS-id_5433833	637.77	FQQOABLMVWYPDU-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-162024
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccco3)n2c2ccc(OCC)cc2)sc2c1CCCCC2	CoCoCo_4978174,PC-id_97955089,ZINC22_97963287	637.77	FQQOABLMVWYPDU-LJQANCHMSA-N	00000000101000110101100000000010000000000000000000000000	31-01-162025
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccco3)n2c2ccc(OCC)cc2)sc2c1CCCCC2	PC-id_97955088,ZINC22_97963286,CoCoCo_4978175	637.77	FQQOABLMVWYPDU-IBGZPJMESA-N	00000000101000110101100000000010000000000000000000000000	31-01-162026
C=C/C=CC1=C(C)Nc2c(CN1C(=O)c1ccc(c(c1)C)CNC(=O)N1CCCN(CCC1)C(=O)OCc1ccccc1)cnn2C	PC-id_142213350	637.771	WQMYSCBFZLUACQ-NSIKDUERSA-N	00000000100000110111000000000010000000000000000000000000	31-01-162027
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)S(=O)(=O)Cc1ccccc1	PC-id_138808482,EMOLS-id_317907157,MCULE-2406782007	637.793	SQQYYUYTUGGQHN-OFSOJUDTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162031
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CSc3nccn3C)CCCNC(=O)Cn1nc(C)n2	ZINC22_1772714104,MCULE-7233908799,PC-id_137340594,EMOLS-id_317507491	637.796	ASHNXVHBQHJHIO-YWEHKCAJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162032
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(Cc3ccns3)CCNC(=O)Cn1nc(C)n2	ZINC22_1772713295,PC-id_137339240,MCULE-6240221499,EMOLS-id_317486505	637.796	GJNBXHSYABXNQT-MCPPRULHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162033
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(Cc3sccn3)CCNC(=O)Cn1nc(C)n2	ZINC22_1772714213,PC-id_137341653,EMOLS-id_317508005,MCULE-9189764718	637.796	FXYPAFNHDXEZIZ-YBZFOXLFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162034
c1(NC(=O)c2cccc(n2)C(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)sc2c(CCCCCC2)c1C(=O)OCC	TIMTEC443018,ZINC22_97959277,PC-id_4643297,MCULE-7711822065,EMOLS-id_4992917	637.809	SBZUCFQCPRDJFS-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-162035
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s1c2c(CCCCC2)c(c1NC(=O)c1ccc(nc1)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCCC)C(=O)OCCC	PC-id_4163535	637.809	QWLMNYPYGMPZMR-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-162037
s1c2c(CCCCC2)c(c1NC(=O)c1nc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OC(C)C)ccc1)C(=O)OC(C)C	PC-id_4184508	637.809	XCHFGXRODZWLKD-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-162038
s1c2c(CCCCC2)c(c1NC(=O)c1nc(C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCCC)ccc1)C(=O)OCCC	PC-id_5011738	637.809	CCQGQWXGECPCSL-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-162039
s1c2c(CCCCCC2)c(c1NC(=O)c1ccc(nc1)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C(=O)OCC	PC-id_4622934	637.809	PHQJOBLVFXIXSF-UHFFFAOYSA-N	00000000100000101100000000000010000000000000000000000000	31-01-162040
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3407725,MCULE-6274694863,EMOLS-id_24429428	637.836	XTWUSFKGGRSXRC-UHFFFAOYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-162041
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2cccs2)C)sc2c1CCCCC2	CoCoCo_2662632,PC-id_99657102	637.836	XTWUSFKGGRSXRC-HXUWFJFHSA-N	00000000100100110101000000000010000000000000000000000000	31-01-162042
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2CCc2ccccc2)CNC(=O)c2cccs2)C)sc2c1CCCCC2	PC-id_99657104,CoCoCo_2662631	637.836	XTWUSFKGGRSXRC-FQEVSTJZSA-N	00000000100100110101000000000010000000000000000000000000	31-01-162043
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COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCc1ccc(Cl)cc1	ZINC22_408970709	638.014	CGVQPFITIQDRQV-XZYGTATASA-N	00000000100000110100000000000010000000000000000000000000	31-01-162045
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccncc1Cl	PC-id_137337104,MCULE-7645246222,ZINC22_1772703209,EMOLS-id_317502077	638.114	CMJNMESSYQNJAS-UKDVSSAZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162046
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s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2cccnc2)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053236	640.772	XZJUWNPGARTFAP-IMRQLAEWSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162112
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cccnc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73512390	640.772	XZJUWNPGARTFAP-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162113
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc2c(n(C)cc2)c1	EMOLS-id_317499553,MCULE-8090343576,ZINC22_1772714031,PC-id_137341404	640.775	XAKLHQNDBUBINR-NSJVFKKDSA-N	00000000100000110101000001100010000000000000000000000000	31-01-162114
CCCCS(=O)(=O)N[C@H](C(=O)OCC)CNC(=O)c1nn2c(c1)C(=O)N(CCC2)CCC1CCN(CC1)C(=O)OC(C)(C)C	PC-id_139696368	640.792	UUNDVDQRDLPCRT-QHCPKHFHSA-N	00000000100010000101000000000010000000000000000000000000	31-01-162115
CCN1CCN(C(C1=O)c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)Oc1cc2c(s1)CCCCC2)C	SCHEMBL17957233,PC-id_122437547	640.795	PUBMGJQLBVUFBQ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-162116
CCN1CCN(C(=O)C1c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)Oc1cc2c(s1)CCCCC2)C	PC-id_122437527,SCHEMBL17957212	640.795	NKGIEFOJISUGAK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-162117
CNC(=O)C(c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)N1CCOCC1	PC-id_58180673,SCHEMBL1204822	640.795	KDBUSGJMBYCAFX-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-162118
OCCN1CCN(CC1)C(=O)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL1323085,PC-id_24900703	640.795	KZIYYVJOQBEFGM-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-162119
CN(C(c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)ON1CCC1)C(C)C	SCHEMBL4447890,PC-id_69048460	640.838	LMCROADIJMQWKL-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-162120
CCOC(=O)CCCc1cc(c2-c1ccccc2)C(=O)c1ccc(cc1)[N+](c1ccc(cc1)CC(C)C)(c1ccc(cc1)CC(C)C)C	PC-id_67836848,SCHEMBL9381525	640.873	MPTRCTKQVVYKNL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-162121
O1CC(C1)(CC)COCCCCCCOc1ccc(cc1)C#Cc1ccc2-c(cc(c2)C#Cc2ccc(CCCCCCC)cc2)cc1	PC-id_21063080	640.893	PRNWCDJKIYBNMA-UHFFFAOYSA-N	00001010100000110110000000000010000000000000000000000000	31-01-162122
Clc1c(CNC(=O)N2C(CC(OC)C2)C(=O)N2CCC(N3CCCCC3)CC2)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_75010571	642.252	QAGFIGGUESYAIG-UHFFFAOYSA-N	00000010100010110100100000000010000000000000000000000000	31-01-162153
c1(nn(cc1Cl)C)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	EMOLS-id_317500590,MCULE-1490411161,ZINC22_1772714078,PC-id_137342106	641.118	YTKOSUHUJGAMJN-SXSPYAJSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162123
CC(C)C1C(=O)OC(CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N1)(C)C)C=CCCSC(=O)C(C)NOC(=O)C(=O)O	PC-id_163797111	641.183	NBTIOPIGEDTRQS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162124
C[C@@H](C(=O)SCC/C=C/[C@@H]1CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C)NOC(=O)C(=O)O	PC-id_155171683	641.183	NBTIOPIGEDTRQS-CWJYKYJBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162125
C[C@H](C(=O)SCC/C=C/[C@@H]1CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C)NOC(=O)C(=O)O	PC-id_155171688	641.183	NBTIOPIGEDTRQS-DKNDGXAGSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162126
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(OCC)c1OCc1ccccc1Cl	ZINC22_408970093	641.262	AIQOCZZARQIPTF-ZXTCRCEHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162127
Cc1c([nH]c2c1C(=O)N(CCC2)CCN1CCCCC1)C=C1c2c(ccc(c2)S(=O)(=O)Cc2c(cccc2Cl)Cl)NC1=O	SCHEMBL3136213,PC-id_87484166	641.608	CZAAZLBWBQUETD-UHFFFAOYSA-N	00000010100010110100000000001010000000000000000000000000	31-01-162128
Clc1c(CS(=O)(=O)c2cc3/C(=C/c4[nH]c5CCCN(CCN6CCCCC6)C(=O)c5c4C)/C(=O)Nc3cc2)c(Cl)ccc1	SCHEMBL3136197,PC-id_25131278	641.608	CZAAZLBWBQUETD-NKFKGCMQSA-N	00000010100010110100000000001010000000000000000000000000	31-01-162129
c1(cc(no1)C)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2noc(C1)c2	PC-id_137343551,MCULE-2951546150,EMOLS-id_317457587,ZINC22_1772714030	641.674	YVCHAZFZPAKBEX-BYXVTNLJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162130
c1(NC(=O)CCCS(=O)(=O)c2nc(c3ccc(c(OC)c3)OC)cc(C(F)(F)F)n2)sc2c(CCCCC2)c1C(=O)OC	PC-id_17382045,EMOLS-id_7709680,CoCoCo_2005137,ZINC22_98043174,TIMTEC184420,MCULE-1453652951	641.679	GZNNBXLXCWAEDC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162131
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)Cc1n(CC)ncn1	PC-id_137339776,EMOLS-id_317490854,MCULE-1897604324	641.72	WQQRHVGSAPXKCL-FDJWOJMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162132
O=C(C(C(=O)OC(C)(C)C)c1ccc2-c(cc1)c(c(c2C(=O)OC(C)(C)C)N(C(=O)C)C(=O)C)C(=O)OC(C)(C)C)OC(C)(C)C	PC-id_141580542	641.748	ZCLBPTINQNFGQJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-162133
CCN1[C@@H](CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](c2oc(C1CC)nn2)C)Cc1ccccc1	SCHEMBL18652876	641.758	CLQNAZYZSFXOKQ-IEPCEXSBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162134
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc2c(c1)ncn2C	ZINC22_1772714178,EMOLS-id_317515695,PC-id_137338891,MCULE-1096727241	641.763	DMTGJNLGUXVHRE-JOMNFKBKSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162135
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cn2c(cccc2C)n1	PC-id_137336871,EMOLS-id_317464952,ZINC22_1772700364,MCULE-2589725374	641.763	DELPZPMYMVIKOM-NEEKEDPPSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162136
CO[C@@H]1C[C@@H](C(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc34)cc2Cl)C1	CHEMBL443300,BindingDB_PC-id_44394045,PC-id_44394045	642.252	QAGFIGGUESYAIG-UHSQPCAPSA-N	00000010100010110100100000000010000000000000000000000000	31-01-162154
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cn1cc2c(cccc2)n1	ZINC22_1772714396,MCULE-2886008897,PC-id_137344453,EMOLS-id_317509798	641.763	OOVYATPBFVSBMY-NSJVFKKDSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162137
CCc1nc(c[nH]1)S(=O)(=O)N1CCCNC(=O)Cn2nc(C)nc2[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC1)C(C)C	EMOLS-id_317521783,ZINC22_1772707224,PC-id_137336514,MCULE-8160441051	641.785	ZNVSJEKENRTPKN-LXFBAYGMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162138
O1C(C(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCc2c3-c(c(cc3)C)cc(C(C)C)cc2)C1OC)CNC(=O)CCC	PC-id_73042076	641.791	XCKNRJUYJWMPST-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-162139
O1C(C(OC(=O)C(C)C)C(OC(=O)C(C)C)C(OC(=O)CCc2c3-c(c(cc3)C)cc(C(C)C)cc2)C1OC)CNC(=O)C(C)C	PC-id_73070851	641.791	JZAUKNGQLNJTOI-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-162140
O1[C@@H]([C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H](OC(=O)CCc2c3-c(c(cc3)C)cc(C(C)C)cc2)[C@H]1OC)CNC(=O)CCC	PC-id_11650352	641.791	XCKNRJUYJWMPST-RWADUGABSA-N	00000010100010000110000000000010000000000000000000000000	31-01-162141
O1[C@@H]([C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H](OC(=O)CCc2c3-c(c(cc3)C)cc(C(C)C)cc2)[C@H]1OC)CNC(=O)C(C)C	PC-id_11714357	641.791	JZAUKNGQLNJTOI-QNTQIPSWSA-N	00000010100010000110000000000010000000000000000000000000	31-01-162142
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)CC(C)C	PC-id_137335482,EMOLS-id_317459831,ZINC22_1772700341,MCULE-1266881758	641.801	CYSAKWXILJBDNS-LWPQGVMLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162143
C[C@H]1C/C(=C/C=CC(=O)O[C@@H](Cc2nc(cs2)CCC[C@@H](C(=O)O1)NC(=O)OC(C)(C)C)/C=C(C)/C=C/C(=C/CN(C)C)/C)/C	PC-id_134471867,SCHEMBL20109908	641.861	WHBWGRAIWRZBCI-WFQKBBJFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162144
s1cc2nc1C[C@H](OC(=O)C#C/C=C(/C[C@@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)C)C)/C=C(/C=C/CCCN(C)C)C	PC-id_11250730	641.861	DVWBTUZZZXHECH-LCRGLYJASA-N	00000000100000000111000000000010000000000000000000000000	31-01-162145
s1cc2nc1CC(OC(=O)C#CC=C(CC(OC(=O)CC(NC(=O)OC(C)(C)C)CC2C)C)C)C=C(C=CCCCN(C)C)C	PC-id_72769438	641.861	DVWBTUZZZXHECH-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162146
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/n(c2cc1)CC(=O)OC	PC-id_4437017	642.164	LTBMPLPNAOHQEM-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162147
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)CC(=O)OCC	PC-id_4161830	642.164	RKFBXVUBUQQMBG-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162148
Brc1n(c2C(Cc3cc(Br)c(OC)c(Br)c3)C(=O)N(CCc2n1)C)COCc1ccccc1	PC-id_73292801	642.178	VBBAMUPSVZWVHW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162149
CC(C)C1C(=O)OC(CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N1)(C)C)C=CCCSC(=O)C(C)[NH2+]OC(=O)C(=O)O	PC-id_163797110	642.19	NBTIOPIGEDTRQS-UHFFFAOYSA-O	00000000100000000101000000000010000000000000000000000000	31-01-162150
Clc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/n(c2cc1)CCOCC	PC-id_5071088	642.207	UDYJPNUGYOBFBJ-KDJFERLWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162151
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)sc2c1CCCCCC2	ZINC22_408970637	642.433	JNJAWINVDLWYKF-MWBNBJEGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162156
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NC1CCN(C1)C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	SCHEMBL4504646,PC-id_69070471	642.525	IYCSKGAIXAEURL-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-162157
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NCC1CN(C1)C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	SCHEMBL4511773,PC-id_69073703	642.525	FQRPYQCUQVAUKB-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-162158
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)N[C@H]1CCN(C1)C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	PC-id_69070472,SCHEMBL4504649	642.525	IYCSKGAIXAEURL-HNNXBMFYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-162159
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)N[C@@H]1CCN(C1)C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	PC-id_69095589,SCHEMBL4565081	642.525	IYCSKGAIXAEURL-OAHLLOKOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-162160
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CC(C2)CNC(=O)OC(C)(C)C)cc1	PC-id_69067815,SCHEMBL4498937	642.525	MRLFJDPROWLQOS-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-162161
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC2)cc1	PC-id_69070062,SCHEMBL4503771	642.525	NXUHHXXTXNJVHO-OAHLLOKOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-162162
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC2)cc1	PC-id_69071670,SCHEMBL4507167	642.525	NXUHHXXTXNJVHO-HNNXBMFYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-162163
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2CC(NC(=O)OC(C)(C)C)CC2)cc1	PC-id_69070063,SCHEMBL4503773	642.525	NXUHHXXTXNJVHO-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-162164
Brc1c(OCc2ccc(cc2)C)c(OC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_19660140	642.561	VTYSSKYMDWQHIS-KPGMTVGESA-N	00000000100000110100000000000010000000000000000000000000	31-01-162165
Brc1c(OCc2cc(ccc2)C)c(OC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_4116345	642.561	RJCWZOVMFAFZHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162166
Brc1c(OCc2ccc(cc2)C)c(OC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_73634604	642.561	VTYSSKYMDWQHIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162167
Brc1c(OCc2cc(ccc2)C)c(OC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_9647877	642.561	RJCWZOVMFAFZHJ-KPGMTVGESA-N	00000000100000110100000000000010000000000000000000000000	31-01-162168
Brc1c(OCc2ccccc2)c(OCC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_19658462	642.561	PHDPZNMKSTWUJW-VTNSRFBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162169
Brc1c(OCc2ccccc2)c(OCC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_73632969	642.561	PHDPZNMKSTWUJW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162170
Brc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/n(c2cc1)CC	PC-id_4351093	642.605	ZUCSDEMUDAOLRY-AZPGRJICSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162171
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCc1ccccc1C#N	ZINC22_408970301	642.605	FNIMXJRGPVNSHT-FDALDRLYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162172
o1c2-c(c(C(=C(C#N)C#N)C(=c3ccc(=C(C#N)C#N)cc3)c3c4-c(c(c3)C(=O)OC)cc(C(C)C)ccc4)c1=O)cc(C(C)C)ccc2	PC-id_57338965	642.701	HEBHGFFYDUTOLV-UHFFFAOYSA-N	00000010100000100110000000000010000000000000000000000000	31-01-162173
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)Cc1noc(CC)n1	EMOLS-id_317487277,ZINC22_1772713654,PC-id_137341812,MCULE-7245336121	642.705	OACRVLQRXYZDDG-BYXVTNLJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162174
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CC1CCCC1	EMOLS-id_317512616,MCULE-1371595819,ZINC22_1772714094,PC-id_137338651	642.745	AGOYSPWMISDYHQ-QKZGOTKPSA-N	00000010100000110101000000000010000000000000000000000000	31-01-162175
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cn1nc2c(cccc2)n1	PC-id_137344301,ZINC22_1772713888,EMOLS-id_317487781,MCULE-7515704533	642.751	WCKTVHGAWCQBHR-JOMNFKBKSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162176
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Cc1nc2n(n1)CC(=O)NCCCN(S(=O)(=O)c1c(C)noc1C)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C	EMOLS-id_317505965,PC-id_137339092,MCULE-6520951962,ZINC22_1772714204	642.769	FPZOEONPTDCCJW-SQHAQQRYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162178
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c1(NC(=O)c2ccc(cc2)Oc2ccc(cc2)C(=O)Nc2sc3c(CCCCC3)c2C(=O)N)sc2c(CCCCC2)c1C(=O)N	ZINC22_97985260,PC-id_4557592,MCULE-2912746436,CoCoCo_5014657,EMOLS-id_5470485	642.788	USPZXHWEABOMPA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162180
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)CN(C)C	PC-id_137344239,MCULE-5738938482,EMOLS-id_317519784	642.789	CJYVIJMHIKZLPL-ZQLNOWDWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162181
COc1ccc(cc1)COC[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)C[C@@H](C[C@@H](c2nc(C1)sc2)C)NC(=O)OC(C)(C)C	PC-id_138984830	642.803	GGBHUXLQRKXHHY-IASFFWSXSA-N	00000000100000110111000000000010000000000000000000000000	31-01-162182
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)CCSC	EMOLS-id_317458807,ZINC22_1772702965,MCULE-1332784947,PC-id_137335288	642.813	XSKRTICVVDVHGI-YBZFOXLFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162183
C/C=CC=C
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C/C=CC(=C/C(=C)OCc1ccccc1)CN1CCN(CC1=O)CCc1cnc2n1C(CCC(CC2O)(C)C)/C(=C/C(=CC)/F)/C=C	PC-id_142091496	642.846	DMJZITRRPCFFMM-ZUVZNMTPSA-N	00000000100010110101000000000010000000000000000000000000	31-01-162185
s1c2CCCCCCc2c(c1NC(=O)CSc1sc(SCC(=O)Nc2sc3CCCCCCc3c2C#N)nn1)C#N	PC-id_4302717	642.902	SJRDSNCZERLNDL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162186
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(I)c1OCC(=O)O	ZINC22_408964171	646.536	RIDNDMAOYCLOQZ-IBBHUPRXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162281
Cc1c2-c(c(cc2C=Cc2cc(c3-c2c(ccc(c3)C(C)C)C)C=[N+](C2CCCCC2)[O-])C=[N+](C2CCCCC2)[O-])cc(cc1)C(C)C	PC-id_88955527	642.912	DFEDIZXSTNDWBK-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-162187
[O-]/[N+](=Cc1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C1CCCCC1)[O-])/C1CCCCC1	SCHEMBL12743820	642.912	DFEDIZXSTNDWBK-JDQCNSAZSA-N	00000010100010000110000000000010000000000000000000000000	31-01-162188
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1c(Cl)ccc(c1)n1cccn1	ZINC22_1772700816,MCULE-1875843171,PC-id_137335705,EMOLS-id_317516907	643.091	FWPBCXCEXFJYPU-OOADCZFESA-N	00000000100000110101100000000010000000000000000000000000	31-01-162189
ClCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)OC(N(C(C(=O)NC(C(=O)O1)C(C)C)(C)C)C(=O)OC(C)(C)C)(C)C	SCHEMBL19047192	643.192	GGFWANQDOCNDEL-DYXBMOELSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162190
CCCCCCCCCCCCCCCCCCn1c(I)c2c(c1I)OCCCO2	PC-id_101568375	643.423	ISGDGRIAOHEZLV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162191
Cc1c([nH]c2c1C(=O)N(CCC2)CCN1CCOCC1)C=C1c2c(ccc(c2)S(=O)(=O)Cc2c(cccc2Cl)Cl)NC1=O	SCHEMBL3133269,PC-id_87483754	643.581	JLRLXIMACZIABZ-UHFFFAOYSA-N	00000010100010110101000000001010000000000000000000000000	31-01-162192
Clc1c(CS(=O)(=O)c2cc3/C(=C/c4[nH]c5CCCN(CCN6CCOCC6)C(=O)c5c4C)/C(=O)Nc3cc2)c(Cl)ccc1	PC-id_25130953,SCHEMBL3133257	643.581	JLRLXIMACZIABZ-XLNRJJMWSA-N	00000010100010110101000000001010000000000000000000000000	31-01-162193
Clc1c(CS(=O)(=O)C2CC=C3NC(=O)C(=Cc4[nH]c5CCCN(CCN6CCCCC6)C(=O)c5c4C)C3=C2)c(Cl)ccc1	PC-id_70905790	643.624	NPTGLDCGBRJTRZ-UHFFFAOYSA-N	00000010100011110100000000000110000000000000000000000000	31-01-162194
O=C1NC2=CCC(C=C2/C/1=C/c1[nH]c2c(c1C)C(=O)N(CCC2)CCN1CCCCC1)S(=O)(=O)Cc1c(Cl)cccc1Cl	SCHEMBL13449391	643.624	NPTGLDCGBRJTRZ-NKFKGCMQSA-N	00000010100011110100000000000110000000000000000000000000	31-01-162195
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)[C@@H]1CCC(=O)N1	PC-id_137344896,ZINC22_1772714336,MCULE-4555963961,EMOLS-id_317508010	643.69	MDOSYNCGZBUCOH-JTMVAAEOSA-N	00000010100000110101000000000010000000000000000000000000	31-01-162196
c1(NC(=O)CSc2c3ccccc3n(CCNC(=O)c3cccc(c3)C(F)(F)F)c2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_24343010,PC-id_3561055,MCULE-5265543944,CoCoCo_1999916	643.739	RCMFCSPMYCVXQX-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-162197
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19052543	643.772	PJTUWNNQWGPBLO-OOAXWGSJSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162198
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73511697	643.772	PJTUWNNQWGPBLO-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162199
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19052577	643.772	DCSSUKJZFRVSJP-OOAXWGSJSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162200
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73511731	643.772	DCSSUKJZFRVSJP-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162201
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18910793	643.772	SMZISZZBEZFRBL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162202
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19052578	643.772	CDLWYQKXOVYFGG-OOAXWGSJSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162204
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73511732	643.772	CDLWYQKXOVYFGG-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162205
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)CCOC	EMOLS-id_317493421,PC-id_137338561,MCULE-7703569906,ZINC22_1772713213	643.774	HKFNZEHHONBEGZ-ZQLNOWDWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162206
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CCC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@@H](N(C(=O)C(N(C(=O)[C@@H](OC(=O)[C@@H]1C)C)C)Cc1ccc(cc1)O)C)C(C)C	PC-id_139583605	643.794	GGYQVLOCMGQKAQ-RJKFGBTCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162208
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s1c2ncc1C(=O)NC(C(C(=O)OC(C(=O)N(C(C(=O)N(C(C(C)C)C(=O)NC2C)C)Cc1ccc(O)cc1)C)C)C)CCC	PC-id_85111403	643.794	BUAJPAZJYGGSLZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162210
s1c2ncc1C(=O)N[C@@H]([C@H](C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@@H](C(C)C)C(=O)N[C@H]2C)C)Cc1ccc(O)cc1)C)C)C)CCC	PC-id_10326835	643.794	BUAJPAZJYGGSLZ-SEHYWXNNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162211
s1c2nc(C(=O)NC([C@H](C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@@H](C(C)C)C(=O)N[C@H]2C)C)Cc2ccc(O)cc2)C)C)C)CCC)c1	PC-id_21776533	643.794	GGYQVLOCMGQKAQ-LHCXHBITSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162212
Cc1c(cccc1NC(=O)c1cc2c(s1)CCCCC2)c1c[nH]c(=O)c(c1)N(C)c1ncc(cc1)C(=O)N(CCOC)CCOC	PC-id_87602225	643.796	YVQRTDCLXXFKCN-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-162213
COCCN(C(=O)c1ccc(nc1)Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)CCOC	PC-id_59740602,SCHEMBL1322896	643.796	DWWWBHYYFNDDDN-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-162214
c1(NC(=O)C(C)Sc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2CCCC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_24429408,MCULE-7189868472,PC-id_5143576	643.817	LFPPWPKCKLWYCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162215
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CCCCn1c(nnc1CNC(=O)c1ccc(c(c1)OC)OC)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2)C	PC-id_99657407,CoCoCo_2662496	643.817	LFPPWPKCKLWYCD-IBGZPJMESA-N	00000000100000110101000000000010000000000000000000000000	31-01-162217
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s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_19317642	643.882	KWUHWDGUTROBHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162221
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)Cc1c(F)ccc(Cl)c1F	ZINC22_1772816728,MCULE-8332254286,EMOLS-id_317893831	644.155	AERRKUWZSJIGRZ-VIZCGCQYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162222
OC(=O)CC1CCCc2c(CC1)n(C)c(n2)C(=O)Nc1cccc(c1C)c1cccc(c1Cl)NC(=O)c1nc2c(n1C)CCNC2	PC-id_142388690	644.163	ISFQYEGLYRDSJG-UHFFFAOYSA-N	00000000100010110101100000010010000000000000000000000000	31-01-162223
C[C@@H](CC1CCCc2c(CC1)n(C)c(n2)C(=O)Nc1cccc(c1C)c1cccc(c1Cl)NC(=O)c1nc2c(n1C)CCNC2)O	PC-id_142388693	644.206	ALPXSZQZZOCTBY-AIBWNMTMSA-N	00000000100010110101100000010010000000000000000000000000	31-01-162224
Clc1c(CNC(=O)N2C(CC(OC)C2)C(=S)N2CCC(N3CCCC3)CC2)ccc(C(=O)N2CCCCc3sccc23)c1	PC-id_75010505	644.291	YMDLBPBPLQWWAA-UHFFFAOYSA-N	00000010100010110100100000000010000000000000000000000000	31-01-162225
CO[C@@H]1C[C@@H](C(=S)N2CCC(N3CCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc34)cc2Cl)C1	BindingDB_PC-id_44393912,PC-id_44393912,CHEMBL181487	644.291	YMDLBPBPLQWWAA-NAKRPHOHSA-N	00000010100010110100100000000010000000000000000000000000	31-01-162226
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CC(C)(C)NCCCOCCOCCOCCCNC(=O)CCCC(=O)N1CCC2=C([C@@H]([C@H](C1)OC)OC)N=NN2CCS	PC-id_155110029	644.393	VDPXYUJKTVGRNN-ABYGYWHVSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162228
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NCCCCNC(=O)OC(C)(C)C)cc1	SCHEMBL4511044,PC-id_69073390	644.54	AZFRVJGOSQTMAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162229
CCCOc1c(I)cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1OCC	ZINC22_408964000	644.607	LBKKYTVNQYJFNO-HNSNBQBZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162230
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(I)c1OC(C)C	ZINC22_408974122	644.607	XMDAMYUMZQHCDA-DPNNOFEESA-N	00000000100000110100000000000010000000000000000000000000	31-01-162231
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CNC(=O)c3ccccc3)CCCNC(=O)Cn1nc(C)n2	EMOLS-id_317504634,ZINC22_1772703011,MCULE-8601284225,PC-id_137336003	644.764	AYKPYEDRMJNUBF-JOMNFKBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162235
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1ccccc1	PC-id_137341034,ZINC22_1772714504,MCULE-4051400101,EMOLS-id_317518499	644.764	UBBJAULMUBAPQI-JBXWGSRRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162236
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc2c(c1)ncs2	EMOLS-id_317499269,ZINC22_1772702963,MCULE-6536092872,PC-id_137335918	644.787	JQUZBSPGHZXIJY-VIZCGCQYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162237
COc1c(OC)cc(cc1OC)CN(C(O)C)CC(OC(=O)C)CCCCCCCCC[C@@H]1CC(=O)c2c(N(C1=O)C)ncn2C	PC-id_141831456	644.799	GKCWSIHVFDNBKJ-VJZLMVMKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162238
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18909603	644.8	MVCCOQIWQDTUGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162239
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911979	644.8	RCAUHLXPKGFDRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162240
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)c1ccccc1)C(=O)OC	PC-id_18909604	644.8	HDMLYJDLQQZRPN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162241
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)c1ccccc1)C(=O)OC	PC-id_18911980	644.8	VAZPTZPLOKHAGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162242
C(c1ccc2-c(cc1)c(cc2C#Cc1c2-c(ccc(C(C)(C)C)cc2)c(c1)C#C)C#Cc1c2-c(ccc(C(C)(C)C)cc2)c(c1)C#C)(C)(C)C	PC-id_11607058	644.884	DUYYJIGDZLINEY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-162243
C(c1ccc2-c(cc1)c(cc2C#CC#Cc1c2-c(ccc(C(C)(C)C)cc2)cc1)C#CC#Cc1c2-c(ccc(C(C)(C)C)cc2)cc1)(C)(C)C	PC-id_11549156	644.884	WOEUNDJZBLVJCV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-162244
s1c2c(CCCCC2)c(c1NC(=O)CCCCCCCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCC)C(=O)OCC	PC-id_4461815	644.885	OBANLKLLZVFPTR-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162245
Clc1ccc(OCc2nnc(SCc3nc(c4ccc(OCc5nnc6n5CCCCC6)cc4)no3)n2Cc2ccco2)cc1	ZINC22_2325837387	645.131	KVCKFHNYVUFOSA-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-162246
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2C)CCCCCC3)cc(I)c1OCC(=O)N	ZINC22_409016628	645.552	QXDJGQWBWJREJV-KPGMTVGESA-N	00000000100000110100000000000010000000000000000000000000	31-01-162247
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2)CCCCCC3)cc(I)c1OCC(=O)N	ZINC22_409012527	645.552	IPVXBBCYXHFMOD-KPGMTVGESA-N	00000000100000110100000000000010000000000000000000000000	31-01-162248
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCCCC3)cc(I)c1OCC(=O)N	ZINC22_409018213	645.552	SZUXCNUOEJXYHW-KPGMTVGESA-N	00000000100000110100000000000010000000000000000000000000	31-01-162249
Clc1c(CS(=O)(=O)C2CC=C3NC(=O)C(=Cc4[nH]c5CCCN(CCN6CCOCC6)C(=O)c5c4C)C3=C2)c(Cl)ccc1	PC-id_70905806	645.596	HEJPRWCLXIUOLW-UHFFFAOYSA-N	00000010100011110101000000000110000000000000000000000000	31-01-162250
CN(C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1cco2)C	PC-id_139750511	648.79	XRDKFAAEJARBDP-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-162341
O=C1NC2=CCC(C=C2/C/1=C/c1[nH]c2c(c1C)C(=O)N(CCC2)CCN1CCOCC1)S(=O)(=O)Cc1c(Cl)cccc1Cl	SCHEMBL13449414	645.596	HEJPRWCLXIUOLW-XLNRJJMWSA-N	00000010100011110101000000000110000000000000000000000000	31-01-162251
FC(F)(F)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)n2nnc(CCCC(=O)NCCCC1)c2)CCCCN)CCCN=C(N)N	PC-id_73214131	645.678	WPFBHYRGCBYOSH-FHWLQOOXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162252
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CCNC(=O)C	EMOLS-id_317482895,PC-id_137338048,ZINC22_1772706420,MCULE-9132761677	645.705	ZKZRBCJUTGBUBV-KWTBFXGESA-N	00000000100000110101000000000010000000000000000000000000	31-01-162253
c1(cnn2ccn(C)c12)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	PC-id_137342525,MCULE-8682924144,EMOLS-id_317494439,ZINC22_1772713096	645.709	CPTVJYDNEMCRCZ-NIJXNBFTSA-N	00000000100000110101000100000010000000000000000000000000	31-01-162254
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)CCN1CCOCC1	MCULE-2756549751,EMOLS-id_317521062,PC-id_137343086,ZINC22_1772714586	645.749	YFKPNMRCMLPRPC-DOUMQJFESA-N	00000000100010110101000000000010000000000000000000000000	31-01-162255
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)CC(=O)N(CC)CC	ZINC22_1772714010,EMOLS-id_317461689,MCULE-8967335636,PC-id_137343136	645.749	YGVNBTKRMPWDGT-LBNPDIFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162256
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1cccc(N(C)C)c1	MCULE-6140942674,ZINC22_1772713579,EMOLS-id_317459127,PC-id_137339144	645.749	LOVHNEOOBNCQTP-MWVDVNALSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162257
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)Cc1cc(C)nc(C)c1	ZINC22_1772703661,MCULE-4232964723,PC-id_137334703,EMOLS-id_317473393	645.749	PESQHNGNXGDQAC-XTBZXYEFSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162258
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cc1ccc2c(OCO2)c1	ZINC22_1772700802,EMOLS-id_317466227,MCULE-5332751288,PC-id_137334213	645.749	IPTFDOXJWNFDSV-DICHSLLOSA-N	00000010100000110101000000001010000000000000000000000000	31-01-162259
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1ccccn1	MCULE-1817110987,PC-id_137338234,EMOLS-id_317472887,ZINC22_1772704115	645.752	RSKAKTPPYAJOAR-FATZWSQISA-N	00000000100000111101000000000010000000000000000000000000	31-01-162260
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cccnc1	ZINC22_1772701828,MCULE-9948489626,EMOLS-id_317510777,PC-id_137336275	645.752	PIAWYFLRRUEJLR-FATZWSQISA-N	00000000100000111101000000000010000000000000000000000000	31-01-162261
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1ccncc1	MCULE-9915265267,EMOLS-id_317484451,ZINC22_1772713844,PC-id_137341302	645.752	UGLLHMKSEUPOGJ-FATZWSQISA-N	00000000100000111101000000000010000000000000000000000000	31-01-162262
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccccc1OCCC	MCULE-9782089841,PC-id_137343643,EMOLS-id_317491616,ZINC22_1772713553	645.792	PCYNOPCZPBQIIS-NSJVFKKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162264
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cc1ccc(cc1)OCC	ZINC22_1772713196,EMOLS-id_317502122,PC-id_137341869,MCULE-1375006223	645.792	HBIVYJBGPISMFV-CPBHLAHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162265
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053104	645.811	AMJRTQQNHVQITM-ONUIUJJFSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162266
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73512258	645.811	AMJRTQQNHVQITM-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162267
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053500	645.811	GPHCJBGMJAWUEX-XHPQRKPJSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162268
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73512654	645.811	GPHCJBGMJAWUEX-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162269
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19317833	645.854	LOQGWOUNCJRKSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162270
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19317834	645.854	BLILTRMVCXKYFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162271
C/C=CC=C/CCn1c(C)nc2c1/C(=C/C)/C(C)N(CC2)C(=O)c1ccc(c(c1)C)OCCCN1CCN(CC1)C(=O)OC(C)(C)C	PC-id_143188720	645.874	HFBMPNPMOHMWQX-WZYXUDRJSA-N	00000000100010110101000000000010000000000000000000000000	31-01-162272
CCCCCC/C/1=Cc2csc(n2)C(C)C(O)CC(/C=C/C(=CCC(OC1=O)C(C(C(C(/C(=C/C(=C/C)/C)/C)O)C)O)O)/C)O	SCHEMBL10000001	645.889	DCJUWXLPEQBGGN-BTLPENNESA-N	00000000100000000111000000000010000000000000000000000000	31-01-162273
CCCCCC/C/1=Cc2csc(n2)[C@H](C)[C@@H](O)C[C@@H](/C=C/C(=CC[C@@H](OC1=O)[C@@H]([C@@H]([C@@H]([C@H](/C(=C/C(=C/C)/C)/C)O)C)O)O)/C)O	UNPD25004	645.889	DCJUWXLPEQBGGN-RZNDTWOUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162274
O=C1OC(C/C=C(/C=C/C(O)CC(O)C(c2nc(cs2)/C=C
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s1c2nc(/C=C(/C(=O)OC(C(O)C(O)C(C(O)/C(=C/C(=C/C)/C)/C)C)C/C=C(C=CC(O)CC(O)C2C)/C)CCCCCC)c1	PC-id_59317602	645.889	DCJUWXLPEQBGGN-KRRDAOSISA-N	00000000100000000111000000000010000000000000000000000000	31-01-162276
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1ccc(c(Cl)c1)N1CCCC1	MCULE-9459046228,PC-id_137343300,EMOLS-id_317518247,ZINC22_1772714196	646.134	FJFACBRJFZNOHE-MSFWWKAZSA-N	00000010100000110101100000000010000000000000000000000000	31-01-162277
Brc1c(OCc2ccc(F)cc2)c(OC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_19660544	646.524	DKRIKKWTUKPDGV-VWJSQJICSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162278
Brc1c(OCc2ccc(F)cc2)c(OC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_73634998	646.524	DKRIKKWTUKPDGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162279
CCOC(=O)COc1c(I)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC	ZINC22_408969073	646.536	GUOZFKIRCMZZJE-KBVAKVRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162280
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)NC1Cc1[nH]cnc1)c2	PC-id_74956715	646.616	BKLLMRKITHUYBJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162282
O=C1N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)N[C@H]1Cc1[nH]cnc1)c2	PC-id_44225089	646.616	BKLLMRKITHUYBJ-KKUMJFAQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162283
COC(=O)c1cc(COC2C=C(OC)c3c(C(=C2C(=O)C)OC)cco3)ccc1COc1c(C(=O)C)c(OC)c2c(c1OC)occ2	PC-id_142806033	646.637	FJNMBWXSDJTSRM-UHFFFAOYSA-N	00000000100000110110000001000010000000000000000000000000	31-01-162284
[N-]=[N+]=NCC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc1ccc2-c1ccccc2)Cc1ccc(cc1)O)CC(=O)N	PC-id_102530701	646.65	YKYBZYINLXWDNZ-SDHOMARFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-162285
FC(F)(F)c1ccc(CC(CCCCn2c3NC=NCC(=O)c3nc2)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	PC-id_10746771	646.656	KLIXEFDAZCFJMK-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-162286
FC(F)(F)c1cc(CC(CCCCn2c3NC=NCC(=O)c3nc2)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)ccc1	PC-id_10604236	646.656	HHVWCGDJRJBEIY-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-162287
FC(F)(F)c1c(CC(CCCCn2c3NC=NCC(=O)c3nc2)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cccc1	PC-id_10746772	646.656	ZZOAOPSBSZGRQC-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-162288
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccc2c(OCO2)c1	EMOLS-id_317489830,ZINC22_1772713070,MCULE-8970476543,PC-id_137339521	646.69	BOLAWHTVSVPOQZ-NIJXNBFTSA-N	00000010100000110101000000001010000000000000000000000000	31-01-162289
BrCC(=O)O[C@H]1CCC(=C)Cn2n(CC[C@H]1/C=C/1CCCC3(C1CCC3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)c(=O)n(c2=O)C	SCHEMBL16260787,PC-id_117715417	646.698	CQWWKWDEHICUFV-SHFGIWKGSA-N	00000010100010000101000000000110000000000000000000000000	31-01-162290
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)C(C)(C)OCC	PC-id_137345299,ZINC22_1772713455,EMOLS-id_317493420,MCULE-2566743757	646.733	MNHCVGNGFQRFTR-FDJWOJMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162291
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccc(c(C)c1)OC	MCULE-8158003473,EMOLS-id_317518454,PC-id_137335389,ZINC22_1772706104	646.733	VDYOINJGAVLUHK-GDKKVTFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-162292
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)Cc1ccc(cc1)OC	ZINC22_1772702522,MCULE-1254527250,PC-id_137335533,EMOLS-id_317481329	646.733	KMNMJRVEZYUTRB-MWVDVNALSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162293
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)COCc1ccccc1	ZINC22_1772713958,EMOLS-id_317494441,PC-id_137343654,MCULE-3291590031	646.733	VMEBWAXPPFIPQA-XTBZXYEFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162294
c1(c2CCCCc2[nH]n1)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	EMOLS-id_317463227,ZINC22_1772713589,PC-id_137344522,MCULE-4622353093	646.737	LUCKQFIHNAEJEW-LIKDZFNVSA-N	00000000100010110101000000010010000000000000000000000000	31-01-162295
CC[C@@H]1NC(=O)CCCn2cc(CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC1=O)[C@@H](C)O)nn2	EMOLS-id_289961503,MCULE-2220811140	646.737	DRXDWCBPWLESOQ-KOYXPHLWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162296
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1nn2c(C(=O)NCC2)c1	PC-id_137337783,ZINC22_1772703751,MCULE-2094645563,EMOLS-id_317480066	646.74	JFZAKKKQLNXZFJ-LXFBAYGMSA-N	00000000100010110101000000010010000000000000000000000000	31-01-162297
OC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)CNC(=O)c1nn2c(c1)C(=O)N(CCC2)CCC1CCN(CC1)C(=O)OC(C)(C)C	SCHEMBL7422991,PC-id_10604239	646.755	NNTNPRLVKNNPSF-DEOSSOPVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-162298
OC(=O)C(NS(=O)(=O)c1ccc(cc1)C)CNC(=O)c1nn2c(c1)C(=O)N(CCC2)CCC1CCN(CC1)C(=O)OC(C)(C)C	SCHEMBL7422985,PC-id_70087010	646.755	NNTNPRLVKNNPSF-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-162299
c1(C(=O)N2CCCC(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](c3nc(C)nn3CC(=O)NCCC2)C(C)C)c(C)[nH]c(C(=O)C)c1C	EMOLS-id_317514921,MCULE-6057062664,ZINC22_1772714468,PC-id_137341931	646.78	RXYXYWLHCQMDIY-VIZCGCQYSA-N	00000000110000110101000000000010000000000000000000000000	31-01-162300
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C2C(CC=CC2)C(=O)O)ccc1)c1ccccc1)C(=O)OCC	PC-id_18897929	646.816	KLQLNOHVYCTQGT-UHFFFAOYSA-N	00000000100011110100000000000010000000000000000000000000	31-01-162301
N(c1ccc(C(c2c3-c(c(C(c4c5-c(cc4)ccccc5)c4ccc(N(C)C)cc4)c2)ccccc3)c2c3-c(cc2)ccccc3)cc1)(C)C	PC-id_15778689	646.86	NTTOIZMBZZMYHA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-162302
CCCCCCCCCCCCCCN(C(=O)C)CC(OC(=O)C)CCCCCCCCCN1C(O)CC(c2c(C1=O)nc[nH]2)C	PC-id_141831457	646.944	WZTJXDUKFZLPCV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162303
Clc1ccc(CC(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c3ccccc3)ccc2)cc1	PC-id_18909473	647.246	ODBQBFFSPOHIBD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162304
FC(F)(F)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)n2nnc(c2)CCOC(=O)NCCCC1)CCCCN)CCCN=C(N)N	PC-id_73213992	647.65	NYFWVHOQODSYLW-BZSNNMDCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162305
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(OCC)c1OCc1ccc(Cl)cc1Cl	ZINC22_409011114	647.654	DQLKPSWWOIWXRL-WVKHYPTHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162306
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2c2cccc(c2)C(F)(F)F)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700470,CoCoCo_2661530,MCULE-8727475991,PC-id_5057856	647.688	YEIVFUAOVNMOGI-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-162307
O(C(=O)c1c2-c(c(c1)C(=O)OCC)ccc(N(c1ccc3-c(c(cc3C(=O)OCC)C(=O)OCC)cc1)c1ccc(cc1)C)cc2)CC	PC-id_11411161	647.713	YIDUVVXTNFXVBO-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-162308
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1cccnc1OCC	PC-id_137345701,EMOLS-id_317487783,ZINC22_1772713502,MCULE-6830198901	647.721	JQOLYSDGZLOTAJ-LPPUWEFUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162309
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)CCn1ccccc1=O	MCULE-6862806603,PC-id_137336082,EMOLS-id_317462148,ZINC22_1772705846	647.721	SHMOLEKNQCFSNM-DNRSQYFGSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162310
CN(CC[C@@H](Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nnc2n1CCNCC2)CSc1ccccc1)C	SCHEMBL9951662,PC-id_67981003	647.756	BCAHMUCPAUBORV-GOSISDBHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162311
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C)c1cc(ccc1OCC)Cc1c(c2-c(c1)ccccc2)C(=O)OC	PC-id_72423659	650.669	XUGYKIBEVFDEPQ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-162372
S(=O)(=O)(Nc1n2CCNCCc2nn1)c1cc(S(=O)(=O)C(F)(F)F)c(NC(CCN(C)C)CSc2ccccc2)cc1	PC-id_77391416	647.756	BCAHMUCPAUBORV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162312
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3cc4OCOc4cc3OC)CCCNC(=O)Cn1nc(C)n2	ZINC22_1772713320,MCULE-5585836013,EMOLS-id_317490601,PC-id_137341604	647.764	JLGQUJRPHJVUEC-DICHSLLOSA-N	00000010100000110101000000001010000000000000000000000000	31-01-162313
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)COc3ccccc3OC)CCCNC(=O)Cn1nc(C)n2	PC-id_137339646,MCULE-4430019332,ZINC22_1772714443,EMOLS-id_317510058	647.764	QWUZDTLVBRGTLV-DICHSLLOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162314
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1cnc(nc1)NCCC	ZINC22_1772702062,MCULE-1738679271,EMOLS-id_317488508,PC-id_137334501	647.768	QJXXGJNZNHPZRG-GDKKVTFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-162315
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cn1c(C)cc(nc1=O)C	EMOLS-id_317898691,MCULE-3878801864,ZINC22_1772818163	647.768	NWYOUWWNNSEWNO-VIZCGCQYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162316
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cccn1C	ZINC22_1772704316,EMOLS-id_317496446,MCULE-1187285720,PC-id_137336985	647.768	HRQOQDXSNAZZBQ-HQQGYVGFSA-N	00000000110000110101000000000010000000000000000000000000	31-01-162317
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OC)ccc(c2)C(=O)OCC)C(=O)OCC	PC-id_3328388	647.783	DUDSQEIXGUANMY-YCNYHXFESA-N	00000000100000100101000001000010000000000000000000000000	31-01-162318
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)ccc(c2)C(=O)OCC)C(=O)OC	PC-id_4461658	647.783	CDCOCOBSKCGCOX-YCNYHXFESA-N	00000000100000100101000001000010000000000000000000000000	31-01-162319
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)ccc(c2)C(=O)OC)C(=O)OCC	PC-id_4255996	647.783	LCAGZOMHPMRVMD-YCNYHXFESA-N	00000000100000100101000001000010000000000000000000000000	31-01-162320
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3ccc(c(C)c3OC)OC)CCCNC(=O)Cn1nc(C)n2	PC-id_137343849,MCULE-1826354281,ZINC22_1772713544,EMOLS-id_317488292	647.807	LJKJSTHSTJUPLC-NSJVFKKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162322
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3ccc(c(COC)c3)OC)CCCNC(=O)Cn1nc(C)n2	PC-id_137342664,MCULE-9707377508,EMOLS-id_317463224,ZINC22_1772713737	647.807	QGVZVHRBLSTQTN-CPBHLAHYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162323
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2CCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700872,CoCoCo_2661774,MCULE-5343150648,PC-id_3431443	647.807	ZUOOSTJWUPLJQN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162324
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2CCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-2818315584,CoCoCo_2661829,PC-id_3356153,EMOLS-id_22700954	647.807	HMWSXPTWCLAVJW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162325
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2CCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661816,MCULE-1443726724,EMOLS-id_24429332,PC-id_4281797	647.807	GOTMZRDZDFEOMD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162326
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2CCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	MCULE-6815812497,PC-id_4583068,CoCoCo_2661799,EMOLS-id_22700910	647.807	KBOCCOZTUHAQMB-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162327
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2ccccc2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	ZINC22_1772713223,EMOLS-id_317483183,MCULE-1831515672,PC-id_137340883	647.807	DGAFLAZLPYVENT-DVIHYUSWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162328
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2Cc2ccccc2)sc2CCCCCc12	MCULE-5339832570,CoCoCo_2661255,PC-id_5070166,EMOLS-id_22700040	647.807	QXAAPJTWOUPWEZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162329
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CCc3c(C)nn(C)c3C)CCCNC(=O)Cn1nc(C)n2	EMOLS-id_317521056,MCULE-1376387590,ZINC22_1772714366,PC-id_137339667	647.811	NKVKDRHEKLXZPO-NSJVFKKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162330
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CCOCC)ccc(c2)C(=O)OCC)C(=O)OCC	PC-id_3561062	647.826	BLPAMZBXISAOFH-GCUVURNUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162331
C1CN(C(c2cc(nn2C1)N)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	PC-id_90460063,SCHEMBL16099143	648.443	MDPDNAOATXEDRU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162332
FC(F)(F)c1ccc(CC(CCCCn2c3NC=NCC(O)c3nc2)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1	PC-id_10556192	648.671	XLQZSULKUAOJKS-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-162333
FC(F)(F)c1cc(CC(CCCCn2c3NC=NCC(O)c3nc2)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)ccc1	PC-id_10580078	648.671	XWEDQLVDYUHLRU-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-162334
O=C(OCc1ccccc1)C(CCCCn1cnc2c1NC=NCC2O)(Cc1ccccc1C(F)(F)F)C(=O)OCc1ccccc1	CHEMBL37079,BindingDB_PC-id_10651825,PC-id_10651825	648.671	LEOPXRJBSSRVGZ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-162335
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1cccc(c2ccccc2OC)c1	MCULE-3498237915,ZINC22_1772704941,PC-id_137338451,EMOLS-id_317484916	648.706	VHNVFSWRUMLETI-LZBZAAENSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162336
c1(cn2c(scc2)n1)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	PC-id_137336368,MCULE-8708235999,ZINC22_1772702736,EMOLS-id_317498246	648.733	IVUDSNQBJYIORI-UEVCKROQSA-N	00000000100000110101000100000010000000000000000000000000	31-01-162337
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)[N+](=O)[O-])n2Cc2ccccc2)sc2CCCCCc12	EMOLS-id_22699790,PC-id_4119177,CoCoCo_2661113,ZINC22_150390258,MCULE-8922724395	648.752	KKJOAKZMDWEKJE-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162338
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947713	648.752	JHYILBAGKSNHKB-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162339
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)S(=O)(=O)c1cccc(c1)C#N	PC-id_137342767,EMOLS-id_317499811,ZINC22_1772713823,MCULE-6538336452	648.776	TWDOMHPZCGRAKQ-OFSOJUDTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162340
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2ccccn2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	PC-id_137342669,MCULE-9434062913,EMOLS-id_317463736,ZINC22_1772713857	648.796	UKDCOIXNKLHIFJ-XNSHOJTPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162342
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2cccnc2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	EMOLS-id_317513079,ZINC22_1772703621,MCULE-2431066021,PC-id_137335380	648.796	YNYKFRLADBYCCQ-XNSHOJTPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162343
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2ccncc2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	PC-id_137342446,ZINC22_1772713787,MCULE-9917705313,EMOLS-id_317457341	648.796	SOVXEXHUGQOGFU-XNSHOJTPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162344
O=C(N1CCCCc2c1ccs2)c1ccc(c(c1)OCCN1CCC(CC1)N1CCCC1)NC(=O)c1ccccc1c1ccccc1	PC-id_139750505	648.857	RLSNAMCBKJIZST-UHFFFAOYSA-N	00000010100010110100100000000010000000000000000000000000	31-01-162345
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](C(C)C)c2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)C(C)C	BindingDB_PC-id_122192005,PC-id_122192005	648.877	QNCUBQATMINDNK-GOBIJVEYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162346
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@@H](C(C)C)c2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL14980344	648.877	QNCUBQATMINDNK-SUCSHPRASA-N	00000000100000000101000000000010000000000000000000000000	31-01-162347
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s1c2nc(c1)C(=O)NC(=CC)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H](CC(=O)N[C@H]2C(C)C)/C=C/CCSC(=O)CCCCCCC	PC-id_60150951	648.877	QNCUBQATMINDNK-OJMBJPLXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162349
s1c2c(CCCCC2)c(c1NC(=O)CCSCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OCCC)C(=O)OCCC	PC-id_4144088	648.897	DKGSKKXGDMKOGG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162350
s1c2c(CCCCC2)c(c1NC(=O)CCSCCC(=O)Nc1sc2c(CCCCC2)c1C(=O)OC(C)C)C(=O)OC(C)C	PC-id_4357011	648.897	PXIPUKSUNLAUDG-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162351
s1c2c(CCCCCC2)c(c1NC(=O)CCSCCC(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C(=O)OCC	PC-id_4103305	648.897	NYVFHBJZBAOYFK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162352
O=C(NCCCCc1c2-c(c(cc2)C)cc(C(C)C)cc1)CCCCCCC(=O)NCCCCc1c2-c(c(cc2)C)cc(C(C)C)cc1	PC-id_85661525	648.959	XLUFYXDJVTYIEU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-162353
CCCCCCCCCCCCC1COc2c(OC1)c(n(c2I)Cc1ccccc1)I	SCHEMBL12513703,PC-id_59012262	649.386	OLFWGNOYSRCPML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162354
CN1CCCN(C(C1)OC(=O)C(F)(F)F)C(=O)[C@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	SCHEMBL6202233,PC-id_69701912	649.724	UZVMDKWZGATJEN-RMVMEJTISA-N	00000010100000110101000000000010000000000000000000000000	31-01-162355
s1c2CCCCN(c2cc1)C(=O)c1cc(c(CNC(=O)N2C(CCC2)C(=O)N2C(OC(=O)C(F)(F)F)CN(CCC2)C)cc1)C	PC-id_77667128	649.724	UZVMDKWZGATJEN-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-162356
O(C(=O)c1c2-c(c(c1)C(=C(C#N)C#N)C(=C(C#N)C#N)c1ccc3-c(c(cc3C(=O)OCC)C(=O)OCC)cc1)cccc(C(C)C)c2)C	PC-id_73291939	650.679	FOXTXRLVDLXXLY-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-162373
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1nccc(OC)c1OC	EMOLS-id_317491617,MCULE-6321583422,PC-id_137344309,ZINC22_1772713461	649.737	MOPQSBOJUZBGRG-NQHRYMMQSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162357
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)CCc1c(C)noc1C	EMOLS-id_317505194,MCULE-7915574270,ZINC22_1772713832,PC-id_137342336	649.737	TYUZBMDSXILFRS-SACAOSOOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162358
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)CC(=O)Nc1cnn(C)c1C	MCULE-9521146777,EMOLS-id_317509039,ZINC22_1772714541,PC-id_137340812	649.741	WGWIFBXUXKGLQU-NIJXNBFTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162359
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cc(=O)n(c(=O)n1C)C	MCULE-3734236404,ZINC22_1775980255,EMOLS-id_317889748,PC-id_138807482	649.741	WLSWXGVDTOACPH-LXFBAYGMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162360
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2c2ccccc2OC)sc2CCCCCc12	PC-id_4429337,EMOLS-id_22700812,CoCoCo_2661738,MCULE-8422487067	649.78	XFFPWCKLZWYIJJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162361
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2c2ccccc2OC)sc2CCCCCc12	EMOLS-id_22700584,PC-id_3429008,MCULE-6856515369,CoCoCo_2661597	649.78	FHHJCQKDJAJDGX-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162362
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2c2ccccc2OC)sc2CCCCCc12	EMOLS-id_22699726,PC-id_5215617,MCULE-1897004995,CoCoCo_2661070	649.78	WIYWGUSTUDXSLT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162363
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2ccccc2OC)sc2CCCCCc12	EMOLS-id_22700234,MCULE-1779411497,CoCoCo_2661375,PC-id_4068405	649.78	HAFXWGAGACONDR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162364
s1c2c(CCCCCC2)c(c1NC(=O)CCSc1nc(N)c(c(c2cc(OC)c(OC)c(OC)c2)c1C#N)C#N)C(=O)OCC	PC-id_23833230	649.78	IKPORLDTSOFRFW-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-162365
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)Cc1c(C)noc1C	EMOLS-id_317510574,MCULE-5429998105,ZINC22_1772714300,PC-id_137342142	649.784	KAXLZRFRGSRCKB-OQTGDVNSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162366
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)I)I	PC-id_19102845,SCHEMBL9335186	650.247	WBPFJYHKPWELEV-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-162367
Clc1cc(CC2n3c(nnc3CCN3CCOCC3)CCN(C2=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1Cl	PC-id_10146213,SCHEMBL5234244	650.443	BMWMFZCWYHPVRA-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-162368
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(I)c1OCc1ccccc1	ZINC22_408969555	650.57	QAXKXYXOPIWNLB-QXUDOOCXSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162369
c1(C(F)(F)F)[nH]c2c(cc(cc2)C(=O)N2CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3noc(C2)c3)n1	MCULE-9678908512,PC-id_137340186,EMOLS-id_317519789,ZINC22_1772713887	650.606	VIOLDJLNJIVLMX-ZVLVQXPOSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162370
CCOc1ccc(cc1[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)Cc1cc2-c(c1C(=O)OC)ccccc2	SCHEMBL5272236,PC-id_58786173	650.669	XUGYKIBEVFDEPQ-SDHGQUHYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-162371
O(C(=O)c1c(C(=C(C#N)C#N)C(=C(C#N)C#N)c2c3-c(c(c2)C(=O)OC)cc(C(C)C)ccc3)c(c2-c1ccccc2)C(=O)OCC)CC	PC-id_73291937	650.679	MZESONWAJSFOKW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-162374
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1c(cccc1F)OC	MCULE-8849135140,PC-id_137336582,EMOLS-id_317491849,ZINC22_1772701677	650.697	AXGVXYSXXDBQRY-NIJXNBFTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162375
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)COc1ccc(cc1)F	MCULE-6248181305,ZINC22_1772714035,PC-id_137339544,EMOLS-id_317500074	650.697	XFTNQECIELMXPB-SACAOSOOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162376
CN1CCCN(C(C1)OC(=O)C(F)(F)F)C(=O)[C@H]1CCCN1C(=O)OCc1ccc(cc1C)C(=O)N1CCCCc2c1ccs2	PC-id_69702190,SCHEMBL6202894	650.709	KTJBBZQSQPPFMF-RMVMEJTISA-N	00000010100000110101000000000010000000000000000000000000	31-01-162377
s1c2CCCCN(c2cc1)C(=O)c1cc(c(COC(=O)N2C(CCC2)C(=O)N2C(OC(=O)C(F)(F)F)CN(CCC2)C)cc1)C	PC-id_77667180	650.709	KTJBBZQSQPPFMF-UHFFFAOYSA-N	00000010100000110101000000000010000000000000000000000000	31-01-162378
Cc1cc(C)c(c(c1)C)P=C1C(=C(C1=Pc1c(C)cc(cc1C)C)C#Cc1cc2-c(c1)ccccc2)C#Cc1cc2-c(c1)ccccc2	PC-id_101441036	650.726	KEAXLOHFLICKFW-UHFFFAOYSA-N	00000110100000110110000000000010000000000000000000000000	31-01-162379
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CNC(=O)c3c(C)non3)CCCNC(=O)Cn1nc(C)n2	ZINC22_1772713423,EMOLS-id_317461178,PC-id_137343591,MCULE-7573984837	650.729	IITLWZSKMSHAPI-KCWPFWIISA-N	00000000100000110101000000000010000000000000000000000000	31-01-162380
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc[nH]1	PC-id_137336872,EMOLS-id_317465464,ZINC22_1772700360,MCULE-4610818665	650.768	DDGMQMGJZDGLDG-ZQLNOWDWSA-N	00000000110000110101000000000010000000000000000000000000	31-01-162381
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cc[nH]c1	EMOLS-id_317521013,PC-id_137335174,MCULE-8804737841	650.768	MPTKOFBRELHKNQ-ZQLNOWDWSA-N	00000000110000110101000000000010000000000000000000000000	31-01-162382
C1C(C(=O)N(C(=O)c2c1nc(n2Cc1c(cncc1)Cl)Oc1cc(ccc1)OC(F)(F)F)CCCO)I	PC-id_135268614,SCHEMBL20431763	650.773	DKAMAJUJDDNGLA-UHFFFAOYSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162383
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)CCN1CCCCCC1=O	PC-id_137345552,EMOLS-id_317503396,ZINC22_1772713118,MCULE-8944917645	650.811	DUAALWYNNZMYIG-ZUKKLESISA-N	00000000100000110101000000000010000000000000000000000000	31-01-162384
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CCCN3CCCCC3=O)CCCNC(=O)Cn1nc(C)n2	EMOLS-id_317461943,ZINC22_1772714053,PC-id_137341770,MCULE-7039766777	650.811	ZVBNNJCNSPZLEV-ZUKKLESISA-N	00000000100010110101000000000010000000000000000000000000	31-01-162385
CN1CCCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc34)ccc2NC(=O)c2ccccc2c2ccccc2)CC1	CHEMBL368818,PC-id_11763684,BindingDB_PC-id_11763684	650.829	AOIRKVVLTNNALR-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162386
CNC1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750459	650.829	DKNQJGWLSVJXLG-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-162387
CN1CCCN(CC1)CCCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750519	650.873	RTCPVRIBAGJELJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162388
CN(C1CCN(CC1)CCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2)C	PC-id_139750496	650.873	OOTUZGLKMQXHPP-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-162389
COC(=[N+](C(C)(C)C)[O-])c1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C(=[N+](C(C)(C)C)[O-])OC	PC-id_101179853	650.889	CCYMOAJISJHELX-VLXWDBHLSA-N	00000010100000000110000000000010000000000000000000000000	31-01-162390
CCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCCCCCC)CCCCCCCC	SCHEMBL9337424,PC-id_19102903	650.932	SWYVYORWXDPODZ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-162391
CCCCCCCCCc1cc2c(cc(c1=O)CCCCCCCCC)nc(n2Cc1ccc(cc1)c1ccccc1C(=O)O)CCC	PC-id_19102923,SCHEMBL9335617	650.932	NVLYOERDVVOQQJ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-162392
CCCCCCCCCCCCN(C(=O)C1C=CCC=CC1)CC(CCCCCCCCCc1cc(=O)c2c(n(c1=O)C)nc[nH]2)O	PC-id_141827294	650.934	NMUNQJCCOIYOMS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162393
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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O=C1NC(C(C)C)C(=O)NC(COCc2nnn(CCCC(NC(=O)OC(C)(C)C)C(=O)CC1C(C)C)c2)C(=O)NCC(=O)OC	PC-id_76799698	651.752	CIPBQRWXXQRZNT-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162395
O=C1NC(C(=O)NC(COCc2nnn(CCCC(NC(=O)OC(C)(C)C)C(=O)CC1(C)C)c2)C(=O)NC(C)(C)C(=O)OC)(C)C	PC-id_76799680	651.752	FCGUQOJXEXMMBI-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162396
O=C1NC(C(=O)N[C@@H](COCc2nnn(CCC[C@H](NC(=O)OC(C)(C)C)C(=O)CC1(C)C)c2)C(=O)NC(C)(C)C(=O)OC)(C)C	PC-id_58481704	651.752	FCGUQOJXEXMMBI-PMACEKPBSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162397
O=C1N[C@@H](C(C)C)C(=O)N[C@@H](COCc2nnn(CCC[C@H](NC(=O)OC(C)(C)C)C(=O)C[C@H]1C(C)C)c2)C(=O)NCC(=O)OC	PC-id_58481730	651.752	CIPBQRWXXQRZNT-UEOMBKFZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162398
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)[C@H]1CCC(=O)N1	MCULE-3820226458,EMOLS-id_317510524,PC-id_137337233,ZINC22_1772702216	651.756	QKIIAABGJBDSQJ-UFXRUVHKSA-N	00000010100000110101000000000010000000000000000000000000	31-01-162399
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)[C@@H]1CCC(=O)N1	ZINC22_1772713739,PC-id_137341299,MCULE-9922642501,EMOLS-id_317462710	651.756	QKIIAABGJBDSQJ-MSCFRCFQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-162400
c1(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(cc3)OC)n2c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	PC-id_5069460,EMOLS-id_22700024,MCULE-9457677273,CoCoCo_2661247	651.771	ZLLPFJQNILMWFL-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162401
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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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(CCCCCC2)c1C(=O)N	PC-id_4350667	686.838	XVJNOWJGTHTGOC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-163280
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cnsc1	MCULE-3688037307,ZINC22_1772714528,PC-id_137343057,EMOLS-id_317514411	651.78	VOQRETFWOOZOOA-VLUSQRCCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162408
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cscn1	ZINC22_1772702432,MCULE-1243814300,EMOLS-id_317466487,PC-id_137336714	651.78	VZKSXSVRZMRRSH-OSADXMDESA-N	00000000100000110101000000000010000000000000000000000000	31-01-162409
s1cc2nc1C[C@H](OC(=O)C=CC=C(C[C@@H](OC(=O)C[C@H](NC(=O)C(F)(F)F)C[C@@H]2C)C)C)/C=C(C)/C=C/C(=C/CN(C)C)/C	PC-id_11399574	651.78	KRIQLQAQGPPGKT-ICZIIDSFSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162410
s1cc2nc1CC(OC(=O)C=CC=C(CC(OC(=O)CC(NC(=O)C(F)(F)F)CC2C)C)C)C=C(C)C=CC(=CCN(C)C)C	PC-id_72832190	651.78	KRIQLQAQGPPGKT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162411
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3ccc(cc3)S(=O)(=O)C)CCCNC(=O)Cn1nc(C)n2	EMOLS-id_317499272,PC-id_137338316,MCULE-4728035409,ZINC22_1772707774	651.819	ZUZHHSMJINQWCT-MVSFAKPFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162413
C[N@@H+]1CCCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	GD-id_ZINC28109814	651.837	AOIRKVVLTNNALR-UHFFFAOYSA-O	00000000100000110101100000000010000000000000000000000000	31-01-162414
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c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)Cc1cc(on1)C1CC1	MCULE-5772354725,EMOLS-id_317518970,ZINC22_1772706645,PC-id_137337390	653.727	WRLOQJNIHXCMHX-GJDOKZOISA-N	00100000100000110101100000000010000000000000000000000000	31-01-162476
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)[C@@H]1COC(=O)N1	ZINC22_1772700751,PC-id_137336856,MCULE-8851643573,EMOLS-id_317514095	653.729	DWEZNLOSUAYILQ-AOXNNKNRSA-N	00000010100000110101000000000010000000000000000000000000	31-01-162477
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(cc1)n1ccnc1	PC-id_154565843,ZINC22_1857710558,MCULE-4287369709,EMOLS-id_324155960	653.774	CZLVSFCICORXKI-PPTMTGTBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162478
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)S(=O)(=O)c1ccc(cc1)OC	ZINC22_1772703943,PC-id_137337239,EMOLS-id_317518712,MCULE-8193888659	653.792	JDBGYCCBWWDKGK-OFSOJUDTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162479
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)C1CC1)n2	PC-id_135095635,ZINC22_1704323800,MCULE-2571085991,EMOLS-id_317376920	653.792	ZOTYPHCTJGOVGC-QEUIGEMPSA-N	00100000100000110101000000000010000000000000000000000000	31-01-162480
O=C(OC(C)(C)C)NC(C(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C)C	SCHEMBL19617631	653.81	GUAYWRYHQCUUFN-LPWAHNQOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162481
O=C(OC(C)(C)C)N[C@H](C(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C)C	SCHEMBL19617632	653.81	GUAYWRYHQCUUFN-WFRDVMGYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162482
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053632	653.81	HKXNOFOOIHJQIB-BRPDVVIDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162483
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053764	653.81	QYZNGDGVHMWSHJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162484
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053896	653.81	ABNYDWUQXRNVDP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162485
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73512786	653.81	HKXNOFOOIHJQIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162486
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19321687	653.81	CCSDKRJXLGRKSF-ANYBSYGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162487
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73601084	653.81	CCSDKRJXLGRKSF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162488
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19321721	653.81	ZNRVCDCHDXRJDF-ANYBSYGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162489
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73601118	653.81	ZNRVCDCHDXRJDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162490
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19321722	653.81	QGIZGLMLMMNEQR-ANYBSYGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162491
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73601119	653.81	QGIZGLMLMMNEQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162492
s1c2CCCCCc2cc1C(=O)Nc1c(c(c2nc(Cc3ccc(C(N4CCN(CC4)CC)C(=O)O)cc3)c(=O)n(c2)C)ccc1)C	PC-id_58180675	653.833	ZJRYAVUGMUZAGN-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-162493
c1(SC(C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccs2)n1c1ccc(cc1)OCC	EMOLS-id_22701230,PC-id_4103813,MCULE-1093201223	653.835	HAEMETMJZGLAST-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-162494
CCOc1ccc(cc1)n1c(nnc1CNC(=O)c1cccs1)S[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2)C	CoCoCo_2662213,PC-id_99657203	653.835	HAEMETMJZGLAST-LJQANCHMSA-N	00000000100100110101100000000010000000000000000000000000	31-01-162495
CCOc1ccc(cc1)n1c(nnc1CNC(=O)c1cccs1)S[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2)C	CoCoCo_2662214,PC-id_99657202	653.835	HAEMETMJZGLAST-IBGZPJMESA-N	00000000100100110101100000000010000000000000000000000000	31-01-162496
s1cc2nc1C[C@H](OC(=O)C#C/C=C(/C[C@@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)C)C)/C=C(C)/C=C/C(=C/CN(C)C)/C	PC-id_11250829	653.872	YVJPGPSLBXZUCF-NFFJDBIHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162497
s1cc2nc1CC(OC(=O)C#CC=C(CC(OC(=O)CC(NC(=O)OC(C)(C)C)CC2C)C)C)C=C(C)C=CC(=CCN(C)C)C	PC-id_72769488	653.872	YVJPGPSLBXZUCF-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162498
Cc1c2-c(c(cc2C=Cc2cc(c3-c2c(ccc(c3)C(C)C)C)C=[N+](C(C)(C)C)[O-])C=NNC(=O)C[n+]2ccccc2)cc(cc1)C(C)C	PC-id_88955526	653.875	ORFRTYSGSVDOJH-UHFFFAOYSA-O	00000010100000101110000000000010000000000000000000000000	31-01-162499
O=C(C[n+]1ccccc1)N/N=C/c1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(C)(C)C)[O-]	SCHEMBL12743818	653.875	ORFRTYSGSVDOJH-GAZAMWGNSA-O	00000010100000101110000000000010000000000000000000000000	31-01-162500
CNCCC/C=C/CCSCSCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)NC(C(=O)N[C@H](C(=O)O1)C(C)C)(C)C	PC-id_140644809	653.92	PCQGUZYCMACHAN-UOWSLLNXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162501
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1c(F)ccc(C)c1Cl	PC-id_137345438,MCULE-2378745072,EMOLS-id_317464241,ZINC22_1772713879	654.175	VFPGALLUSPNZCH-RNAHPLFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162502
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cc1c(cccc1F)Cl	PC-id_137335483,EMOLS-id_317460343,ZINC22_1772702813,MCULE-1608930571	654.175	XRPSJCJPEQVGLK-JOMNFKBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162503
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Brc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)CC(=O)OC	PC-id_3609587	654.616	CHVFLPKLNRMJBU-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162506
Brc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)n(c2cc1)CC(=O)OCC	PC-id_4623214	654.616	UFDFGADNXDDBAK-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162507
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c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)Cc1cnn(C(C)C)c1	ZINC22_1772713740,MCULE-7961242290,PC-id_137341755,EMOLS-id_317460919	654.759	QLWOYPBUPRRJNQ-NSQMQTOTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162510
c1(CN2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)c3noc(C2)c3)c(C)nn(C)c1C	MCULE-5606414681,PC-id_137338771,EMOLS-id_317493921	654.759	TVWBXZYCZJXFRC-GSEMILKTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162511
c1(CN2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)c3noc(C2)c3)n(C)c(c(C)n1)C	EMOLS-id_317514924,MCULE-5774767985,ZINC22_1772714180,PC-id_137343746	654.759	DRXUTSLVANIGJR-QKZGOTKPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162512
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccccc1c1n[nH]cn1	MCULE-9475368663,EMOLS-id_317520501,PC-id_137335171,ZINC22_1772702462	654.762	BZRVNWFCMPJBAU-OFSOJUDTSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162513
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccccc1n1cncn1	PC-id_137341020,ZINC22_1772714281,EMOLS-id_317516711,MCULE-7537096172	654.762	JAYYVBOPDPYRDT-JOMNFKBKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162514
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccccc1n1cnnc1	ZINC22_1772700303,MCULE-3146116198,EMOLS-id_317466485,PC-id_137335488	654.762	BYAUMSYMOFYKFX-JOMNFKBKSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162515
c1(SC(C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nnc(CNC(=O)c2cccs2)n1c1ccc(cc1)N(=O)=O	EMOLS-id_22701234,MCULE-8663101889,PC-id_3409343	654.78	BRDJCAJCFVFKNK-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-162516
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)[N+](=O)[O-])CNC(=O)c2cccs2)C)sc2c1CCCCC2	CoCoCo_2662218,PC-id_99666089	654.78	BRDJCAJCFVFKNK-QGZVFWFLSA-N	00000000100100110101100000000010000000000000000000000000	31-01-162517
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)[N+](=O)[O-])CNC(=O)c2cccs2)C)sc2c1CCCCC2	PC-id_99666090,CoCoCo_2662217	654.78	BRDJCAJCFVFKNK-KRWDZBQOSA-N	00000000100100110101100000000010000000000000000000000000	31-01-162518
O(C1C(CCC)c2c(CC(=CCOCc3ccc(OC)cc3)C(OCc3ccc(OC)cc3)CC1=O)coc2)Cc1ccc(OC)cc1	PC-id_74426688	654.788	GFQNCWNGPCDZLH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162519
O(C1CC(OCc2ccc(OC)cc2)C(=CCOCc2ccc(OC)cc2)Cc2c(C(C1=O)CCC)coc2)Cc1ccc(OC)cc1	PC-id_74425807	654.788	JXOUZZADDBSDCK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162520
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O([C@H]1[C@@H](CCC)c2c(C/C(=C/COCc3ccc(OC)cc3)/[C@H](OCc3ccc(OC)cc3)CC1=O)coc2)Cc1ccc(OC)cc1	PC-id_25172315	654.788	GFQNCWNGPCDZLH-JMQFDLKGSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162522
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(CCCCC2)c1C#N	PC-id_4136175	654.796	HLGGHZKAQGELME-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162523
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cccnc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053203	654.798	DSFDOHUBQDMACF-USHMODERSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162524
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cccnc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73512357	654.798	DSFDOHUBQDMACF-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162525
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2cccnc2)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053237	654.798	HNPRGLVJJPJKGI-USHMODERSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162526
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cccnc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73512391	654.798	HNPRGLVJJPJKGI-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162527
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2cccnc2)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053238	654.798	CAENSSAKHDKFHE-USHMODERSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162528
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cccnc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73512392	654.798	CAENSSAKHDKFHE-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162529
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CCN(C(C(=O)N(C)C)c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)C(C)C	SCHEMBL1204144,PC-id_25234619	654.865	DZZWNXLMNUENQK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162538
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CN1COCN(C(=O)C2=C1N=C(N2CC3=CC=C(C=C3)Cl)OC4=CC(=CC=C4)OC(F)(F)F)CCN5C(=O)C6=CC=CC=C6C5=O	PC-id_148396839	655.145	LRBCRHPLNJUEJI-UHFFFAOYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-162540
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c1(c2ccccc2n(C)c1)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	PC-id_137335711,MCULE-8907425101,ZINC22_1772700266	655.743	BFNOWHQCIVNUMH-MWVDVNALSA-N	00000000100000110101000001100010000000000000000000000000	31-01-162542
COc1ccc(c2ccc(C(=O)N3CC(=O)N[C@@H](Cc4ccccc4)c4nc(C)nn4CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C3)o2)cc1	MCULE-6707002886,PC-id_135107056,ZINC22_1704318548,EMOLS-id_317371018	655.743	PCYXCQKQRVDBDH-KKVCJECGSA-N	00000000101000110101100000000010000000000000000000000000	31-01-162543
c1(CN2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)c3noc(C2)c3)nncn1C(C)C	PC-id_137337805,EMOLS-id_317484941,ZINC22_1772705481,MCULE-8126523694	655.747	TVSKFKLAJXSGPL-LBNPDIFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162544
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3cccc(c3)CC(F)(F)F)CCCNC(=O)Cn1nc(C)n2	ZINC22_1772713221,EMOLS-id_317521323,MCULE-6003348555,PC-id_137339138	655.753	APCGDWIOOWZXAF-MVSFAKPFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162545
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CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)[C@H]1CCCO1	ZINC22_1772713366,MCULE-2149502840,PC-id_137341123,EMOLS-id_317487276	655.785	HZACDASDPGZNOG-SNYPKGJZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-162547
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cc1cnc2c(cccn12)C	EMOLS-id_317463478,ZINC22_1772713405,PC-id_137341552,MCULE-2377041270	655.79	HGWBDGJRACTPEP-NSJVFKKDSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162548
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)Cn1c2ccccc2nc1C	MCULE-4998516799,PC-id_137344979,ZINC22_1772713245,EMOLS-id_317461169	655.79	BCIBWCCABBZKGQ-YDYNHKSESA-N	00000000100000110101000001000010000000000000000000000000	31-01-162549
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(Cc3cccc(c3)C#N)CCNC(=O)Cn1nc(C)n2	PC-id_137336951,ZINC22_1772704093,MCULE-1555524926,EMOLS-id_317472886	655.79	RQRNIWKFFRENES-XXFUAGPLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162550
CCc1nc2ccccc2n1CCC(=O)N1C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2nc(C)nc2[C@H](Cc2ccccc2)NC(=O)C1)C(C)C	MCULE-3248346894,EMOLS-id_317381258,PC-id_135091324	655.79	PWTJEFCDJIMZEQ-KEKPKEOLSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162551
COCCN1CCC/C(=C/c2ccc(nc2)Nc2cc(cn(c2=O)C)c2cccc(c2F)NC(=O)c2cc3c(s2)CCCCC3)/CC1	SCHEMBL14270902,PC-id_71121992	655.824	NWDZYZCDHZCRDU-QQTULTPQSA-N	00000000100000111100100000000010000000000000000000000000	31-01-162552
s1c2CCCCCc2cc1C(=O)Nc1c(F)c(c2cc(Nc3ncc(C=C4CCN(CCC4)CCOC)cc3)c(=O)n(c2)C)ccc1	PC-id_78014285	655.824	NWDZYZCDHZCRDU-UHFFFAOYSA-N	00000000100000111100100000000010000000000000000000000000	31-01-162553
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CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)CCC(C)C	PC-id_137334473,EMOLS-id_317475952,MCULE-4451115220,ZINC22_1772705379	655.828	YQFKUDHLWCBLQG-XNSHOJTPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162556
Cc1ccc(nc1)NC(C(=O)N[C@H]1CC[C@@H](C[C@H]1NC(=O)c1cc2c(s1)CCC(CC2)C(C(=O)OC(C)(C)C)C)C(=O)N(C)C)O	PC-id_142213743	655.848	PVXZOMKTLDVYOA-DSQRCVCNSA-N	00000000100010101100000000000010000000000000000000000000	31-01-162557
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)C[C@H](C)OC(=O)C[C@@H](C[C@@H](c2nc(C1)sc2)C)NC(=O)OC(C)(C)C)/C)C)C	PC-id_100933171	655.888	QXNKJKDEXFEALP-YGJMTAIMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162558
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Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NC1CCCN(C1)C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	SCHEMBL4503128,PC-id_69069776	656.551	ICVVDRNYCQTVCS-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-162563
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NCC1CCCN1C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	SCHEMBL4511735,PC-id_69073686	656.551	HVMCFJPWRZLNPG-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-162564
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	PC-id_69073688,SCHEMBL4511739	656.551	HVMCFJPWRZLNPG-INIZCTEOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-162565
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Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)N[C@@H]1CCCN(C1)C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	PC-id_69069774,SCHEMBL4503125	656.551	ICVVDRNYCQTVCS-MRXNPFEDSA-N	00000000100010110100000000000010000000000000000000000000	31-01-162567
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)N[C@H]1CCCN(C1)C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	PC-id_69075083,SCHEMBL4515142	656.551	ICVVDRNYCQTVCS-INIZCTEOSA-N	00000000100010110100000000000010000000000000000000000000	31-01-162568
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2C(CCC2)CNC(=O)OC(C)(C)C)cc1	SCHEMBL4509992,PC-id_69072929	656.551	HOCCOUJAQVCVJA-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-162569
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2[C@@H](CCC2)CNC(=O)OC(C)(C)C)cc1	PC-id_69072928,SCHEMBL4509991	656.551	HOCCOUJAQVCVJA-INIZCTEOSA-N	00000010100000110100000000000010000000000000000000000000	31-01-162570
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Ic1cc(F)c(Nc2sc3c(CC(CN(C3=O)C)(C)C)c2C(=O)N2CC(C2)CNC(=O)OC(C)(C)C)cc1	SCHEMBL4514256,PC-id_69074731	656.551	XXWSZXAMMVHXGY-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-162572
Brc1c(OCc2ccc(cc2)C)c(OCC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_19658869	656.587	OBCBWTNUFPDRJK-ATZGPIRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162573
Brc1c(OCc2ccc(cc2)C)c(OCC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_73633367	656.587	OBCBWTNUFPDRJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162574
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O=C1N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)N[C@H]1Cc1ccccc1)c2	PC-id_44224852	656.65	SKFQOPMEXAYJJB-BZSNNMDCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162576
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c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1cccc2C(=O)CCc12	EMOLS-id_317498276,ZINC22_1772713140,MCULE-4784240475,PC-id_137342984	656.728	FZGVTFGDCXHYTH-KPGYKUMBSA-N	00000010100000110101000000001010000000000000000000000000	31-01-162578
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cc2c(ccc(OC)c2)[nH]1	MCULE-2420952335,PC-id_137336195,ZINC22_1772700467,EMOLS-id_317457273	656.774	FDNQSHXSWFHKMA-NSJVFKKDSA-N	00000000100000110101000001100010000000000000000000000000	31-01-162579
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSCc2csc(n2)N1)C(=O)N)CC(=O)O)CCCN=C(N)N	PC-id_136748875	656.778	CNXBJNHWRQXUHR-QAETUUGQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162580
CC(C)C[C@H]1C(=O)N[C@@H](CSCc2csc(n2)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC(=O)O)CCCN=C(N)N)C(=O)N	PC-id_136748873	656.778	LNQWAGDMKFDTJI-QAETUUGQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162581
CC1(Cc2c(C(=O)NC1)sc(c2C(=O)Oc1c(c(c(c(c1F)F)F)F)F)Nc1c(cc(cc1)I)Cl)C	SCHEMBL4407339,PC-id_87665113	656.791	HGSXTCUJGIPAOI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162582
O(C1C(CCC)c2c(CC(=CCOCc3ccc(OC)cc3)C(OCc3ccc(OC)cc3)CC1O)coc2)Cc1ccc(OC)cc1	PC-id_74426687	656.804	CVPKSYNRUQIBFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162583
O(C1C(O)C(CCC)c2c(CC(=CCOCc3ccc(OC)cc3)C(OCc3ccc(OC)cc3)C1)coc2)Cc1ccc(OC)cc1	PC-id_74425721	656.804	LXDSSISZERXKPX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162584
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CN(c1ccc(cc1)C(=Cc1cc(c2-c1ccccc2)C=C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C)C	PC-id_101951152	656.9	JOOVIIZHZUIGDI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-162589
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CC1=NN2CCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C2=N1)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5(CCC5)C6=CC=C(C=C6)Cl	PC-id_165426997	657.319	MVNJUSOEJZRELS-IOWSJCHKSA-N	00001000100000110101100001100010000000000000000000000000	31-01-162597
CNCCCOCCOCCOCCCNC(=O)CCCC(=O)N1CCC2=C([C@@H]([C@H](C1)OC)OC)N=NN2CCOCCN(C)C	PC-id_148015116	657.443	IZPHLMFQBQGGDA-JTSJOTPCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162598
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CN1CCCC1=O	PC-id_137343369,EMOLS-id_317489568,MCULE-9045602247,ZINC22_1772713218	657.716	DCYFFDDQFCPJKN-FDJWOJMMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-162599
c1(c(C)nn2ncccc12)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	PC-id_137338594,ZINC22_1772713121,MCULE-4720156647,EMOLS-id_317497769	657.719	DWGKITZKLUWWGG-NQHRYMMQSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162600
CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(CN(CCNC(=O)[C@@H](Cc3ccccc3)NC1=O)C(=O)Cn1nc3ccccc3n1)on2	EMOLS-id_317497773,ZINC22_1772713962,PC-id_137340956,MCULE-3270105159	657.719	VPOGVTWNZPJDJE-SACAOSOOSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162601
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CN1CCCCC1	MCULE-9346375000,EMOLS-id_317486499,PC-id_137342952,ZINC22_1772713360	657.759	HWGWLWBJCCPERE-DOUMQJFESA-N	00000000100010110101000000000010000000000000000000000000	31-01-162602
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(Cn2cccn2)o1	PC-id_137340069,EMOLS-id_317499563,ZINC22_1772713122,MCULE-4164279040	657.763	FBVGXAHSMVLXIB-JOMNFKBKSA-N	00000000101000110101000000000010000000000000000000000000	31-01-162603
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(F)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19052444	657.774	WPWUHAGTXYDSPS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162604
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2c(F)cccc2)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19052312	657.774	UNHLSYRLBQLEIK-USHMODERSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162605
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(F)cccc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73511466	657.774	UNHLSYRLBQLEIK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162606
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)COC)n2	EMOLS-id_317325978,ZINC22_1704317923,PC-id_135113586,MCULE-6643967820	657.781	KQWMZRYTJTYSMJ-JCISHKRCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162607
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19052609	657.799	GCTOHPKUSCYERV-MEFGMAGPSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162608
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73511763	657.799	GCTOHPKUSCYERV-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162609
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19052544	657.799	NBRYKBIDCYJLQA-HFTWOUSFSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162610
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73511698	657.799	NBRYKBIDCYJLQA-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162611
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19052545	657.799	XHHQVALWZPCNFQ-HFTWOUSFSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162612
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73511699	657.799	XHHQVALWZPCNFQ-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162613
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19052579	657.799	NZZRTYRGJKVZOG-HFTWOUSFSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162614
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73511733	657.799	NZZRTYRGJKVZOG-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162615
CC(C)C1COCCCCn2cc(CC(C(=O)N1)NC(=O)NC(C(c1cnc(cc1)NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)O)nc2	PC-id_90120484	657.801	QRRZZMPJBGHOLO-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-162616
CC(C)C1COCCCCn2cc(CC(C(=O)N1)NC(=O)NC(Cc1cnc(cc1)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2	PC-id_86655970	657.801	AQRAUDMBOOFOHM-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-162617
CC(C)C1COCCCCn2cc(CC(C(=O)N1)NC(=O)NC(Cc1cnc(cc1)NC(=O)OC(C)(C)C)(C(=O)O)C(C)(C)C)nc2	PC-id_90120485	657.801	JCUCOEWWYLGSJA-UHFFFAOYSA-N	00000000100000101101000000000010000000000000000000000000	31-01-162618
O=C(NC(C(C(C)(C)C)c1ccc(nc1)NC(=O)OC(C)(C)C)C(=O)O)N[C@@H]1Cc2ncn(c2)CCCCOC[C@@H](NC1=O)C(C)C	SCHEMBL15671723	657.801	QRRZZMPJBGHOLO-NBONXQTHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-162619
O=C(NC(C(C)(C)C)(C(=O)O)Cc1ccc(nc1)NC(=O)OC(C)(C)C)N[C@@H]1Cc2ncn(c2)CCCCOC[C@@H](NC1=O)C(C)C	SCHEMBL15671724	657.801	JCUCOEWWYLGSJA-AAKKKFBHSA-N	00000000100000101101000000000010000000000000000000000000	31-01-162620
O=C(N[C@@](C(C)(C)C)(C(=O)O)Cc1ccc(nc1)NC(=O)OC(C)(C)C)N[C@@H]1Cc2ncn(c2)CCCCOC[C@@H](NC1=O)C(C)C	SCHEMBL15671725	657.801	JCUCOEWWYLGSJA-WTBTXGFSSA-N	00000000100000101101000000000010000000000000000000000000	31-01-162621
O=C(N[C@@H]1Cc2ncn(c2)CCCCOC[C@@H](NC1=O)C(C)C)NC(C(=O)OC(C)(C)C)Cc1ccc(nc1)NC(=O)OC(C)(C)C	SCHEMBL15671722	657.801	AQRAUDMBOOFOHM-NCKFGJJNSA-N	00000000100000101101000000000010000000000000000000000000	31-01-162622
Cc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(CN(CC1)S(=O)(=O)c1ccc(cc1)C)o2)S(=O)(=O)c1ccc(cc1)C	SCHEMBL9213298,PC-id_15069676	657.821	ZBWXJMREYVGLNX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162623
s1c2ncc1C(=O)NC(C(C(=O)OC(C(=O)N(C(C(=O)N(C(C(C)C)C(=O)NC2C)C)Cc1ccc(OC)cc1)C)C)C)CCC	PC-id_78098820	657.821	HWSZOQBTKLXBSC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162624
s1c2ncc1C(=O)N[C@@H]([C@H](C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@@H](C(C)C)C(=O)N[C@H]2C)C)Cc1ccc(OC)cc1)C)C)C)CCC	PC-id_71526761	657.821	HWSZOQBTKLXBSC-OQKBNSMTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162625
s1c2nc(C(=O)NC(C(C(=O)OC(C(=O)N(C(C(=O)N(C(C(C)C)C(=O)NC2C)C)Cc2ccc(OC)cc2)C)C)C)CCC)c1	PC-id_78104608	657.821	OCNMDDMYOXRQHZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162626
s1c2nc(C(=O)N[C@@H]([C@H](C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@@H](C(C)C)C(=O)N[C@H]2C)C)Cc2ccc(OC)cc2)C)C)C)CCC)c1	PC-id_71541609	657.821	OCNMDDMYOXRQHZ-KCDPWMGDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162627
CCCc1nc2c(n1Cc1ccc(c3ccccc3S(=O)(=O)Nc3onc(C)c3C)c(CN3CCC(C)(C)C3=O)c1)C(=O)CCCC2	SCHEMBL4763925,PC-id_17979744,CHEMBL12703,BindingDB_PC-id_17979744	657.822	MBQOXADHKNARRP-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-162628
CCCc1nc2c(n1Cc1ccc(c(c1)CN1CCC(C1=O)(C)C)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)C(=O)CCCC2	PC-id_69184085,SCHEMBL4774918	657.822	PYFLVTSOFWZZRK-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-162629
CNC(/C=C(/CSc1nc2c([nH]1)C=C(CC=C2)OC)O)C/C=C(C(=C/C)CO)/N=C(N(C/C=CC(=C/C)F)C)CCCCC(=O)O	PC-id_144364898	657.839	ZFCUMXJAVKHRPK-HRMGYIELSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162630
CCc1ccc(s1)S(=O)(=O)N1CCCNC(=O)Cn2nc(C)nc2[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC1)C(C)C	ZINC22_1772817531,EMOLS-id_317891267,MCULE-7956491637	657.847	OFHQFZAWOGKAPJ-IRPSRAIASA-N	00000000100100110101000000000010000000000000000000000000	31-01-162631
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_19317965	657.865	LHEXDPWAZMTZOA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162632
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)c1ccccc1)C(=O)OC	PC-id_19317966	657.865	ZELBXYYPUTTWGR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162633
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)S(=O)(=O)c1ccc(cc1)Cl	ZINC22_1772714554,PC-id_137344683,MCULE-3482201144,EMOLS-id_317511334	658.211	WXBFXOMTDXLBIP-UHSQPCAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162634
Brc1sc(c2OCC(COc12)(COC)COC)Cc1sc(Br)c2OCC(COc12)(COC)COC	SCHEMBL13079546,PC-id_70834931	658.418	FBXBKEOGCPIJDV-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162635
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NCC1(O)CN(C1)C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	SCHEMBL4499000,PC-id_69067849	658.524	IOPULANTQALEOH-UHFFFAOYSA-N	00001000100000110100000000000010000000000000000000000000	31-01-162636
c1(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2c2ccc(cc2)Br)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661493,PC-id_5074315,MCULE-3885822873,EMOLS-id_22700416	658.586	SDWBBMSAISSALQ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-162637
Brc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)CCOC	PC-id_4142672	658.605	BIVOMUFOXVTTMV-AZPGRJICSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162638
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)c1ccccc1)C(=O)OC	PC-id_18898058	658.741	GBXZQZUKUJJEAP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162639
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)C1(CCC1)COC	ZINC22_1772714233,EMOLS-id_317508768,MCULE-6194264852,PC-id_137338612	658.744	GTKKIAUOIUGKME-LBNPDIFZSA-N	00001000100000110101000000000010000000000000000000000000	31-01-162640
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2cc(OC)c(OC)cc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_18909605	658.827	RCFABDPBZMFXEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162641
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(OC)cccc2OC)ccc1)c1ccccc1)C(=O)OCC	PC-id_18911981	658.827	ORERQNCWFBSUHF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162642
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CCc3ccc(cc3)N(C)C)CCCNC(=O)Cn1nc(C)n2	PC-id_137344542,MCULE-2391359874,EMOLS-id_317482921,ZINC22_1772713593	658.833	MSDOVWUPXSRQIV-HKFHRXRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-162643
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3cnc(nc3)N3CCCCC3)CCCNC(=O)Cn1nc(C)n2	PC-id_137339198,ZINC22_1772713570,MCULE-6311235067,EMOLS-id_317482400	658.837	MGKFOBCOTYFOBN-PPTMTGTBSA-N	00000000100010110101100000000010000000000000000000000000	31-01-162644
NCCCOCCOCCOCCCNC(=O)CCCC(=O)N1CCc2c(CC(C1)OC)nnn2CC(COCC(C)C)(S)C	PC-id_144714993	658.893	WLFSGTXBOHPYOX-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162645
Ic1ccc(c(c1)Cl)Nc1sc2c(c1C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	SCHEMBL4517229,PC-id_69075844	658.979	HJVVCYVKRLJCRX-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-162646
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O=C1N[C@@H](CCCCCn2nnc(C[C@H](NC(=O)[C@@H](NC)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]1Cc1ccccc1)c2)C(=O)N	PC-id_71577175	659.778	MPMYQRYLSWBGHX-WQJHFXEDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162658
s1c2CCCCCc2c(c1NC(=O)C(Sc1ccc(NC(=O)/C(=C/c2c3c([nH]c2)cccc3)/NC(=O)c2ccccc2)cc1)C)C#N	PC-id_19059806	659.82	BSDVJVFXXHPVNT-RGXNXFOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-162659
s1c2CCCCCc2c(c1NC(=O)C(Sc1ccc(NC(=O)C(=Cc2c3c([nH]c2)cccc3)NC(=O)c2ccccc2)cc1)C)C#N	PC-id_73515295	659.82	BSDVJVFXXHPVNT-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-162660
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053071	659.838	MNXQOFQSKLMAST-IMRQLAEWSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162661
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73512225	659.838	MNXQOFQSKLMAST-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162662
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053105	659.838	HFPAKZNHMXOOLB-IMRQLAEWSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162663
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73512259	659.838	HFPAKZNHMXOOLB-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162664
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053467	659.838	RVYVNEFXRPXIJF-OOAXWGSJSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162665
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73512621	659.838	RVYVNEFXRPXIJF-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162666
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053501	659.838	COLRZWCILFTQAK-OOAXWGSJSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162667
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73512655	659.838	COLRZWCILFTQAK-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162668
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053106	659.838	CVRIMKIKIVCOKT-IMRQLAEWSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162669
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73512260	659.838	CVRIMKIKIVCOKT-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162670
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053502	659.838	MXIFQKHTDGLWOM-OOAXWGSJSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162671
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73512656	659.838	MXIFQKHTDGLWOM-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162672
c12csc([C@H](C(C)C)NC(=O)CNC[C@H](Cc3ccccc3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC)NC(=O)[C@@H](C)NC1=O)n2	PC-id_135105223,EMOLS-id_317330333,MCULE-9447705743,ZINC22_1704321345	659.863	JWRFJHSWCHQARD-KHSUQFHWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162673
s1cc2nc1C[C@H](OC(=O)C=CC=C(C[C@@H](OC(=O)C[C@H](NC(=O)c1ccccc1)C[C@@H]2C)C)C)/C=C(C)/C=C/C(=C/CN(C)C)/C	PC-id_76314611	659.878	XCHZRTOPHAACMW-YQWVFYAKSA-N	00000000100000110111000000000010000000000000000000000000	31-01-162674
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2c(OC)cccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19317835	659.881	BDOLCALDCPVXQA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162675
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1	SCHEMBL4564793,PC-id_69095443	660.497	PMZKOXQXPICJMK-INIZCTEOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162676
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NCC(NC(=O)OC(C)(C)C)C(=O)O)cc1	PC-id_69095444,SCHEMBL4564794	660.497	PMZKOXQXPICJMK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162677
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)NC(Cc2c3c([nH]c2)cccc3)C(=O)O)cc1	PC-id_69072069,SCHEMBL4508057	660.498	TYYMWRRPDVDSFN-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-162678
Brc1c(OCc2ccc(F)cc2)c(OCC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_3606781	660.551	KFVHKNVBNDHHBC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162679
Brc1c(OCc2ccc(F)cc2)c(OCC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_9627724	660.551	KFVHKNVBNDHHBC-MHDJOFBISA-N	00000000100000110100000000000010000000000000000000000000	31-01-162680
Brc1c(OCc2c(F)cccc2)c(OCC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_19658935	660.551	DADHCOOMEBIZQR-MHDJOFBISA-N	00000000100000110100000000000010000000000000000000000000	31-01-162681
Brc1c(OCc2c(F)cccc2)c(OCC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_73633432	660.551	DADHCOOMEBIZQR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162682
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(I)c1OCC(=O)O	ZINC22_408969273	660.563	KKFJTNRTMRWRKQ-KPGMTVGESA-N	00000000100000110100000000000010000000000000000000000000	31-01-162683
CCOC(=O)COc1c(I)cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OCC	ZINC22_408964592	660.563	WIIDXDHXMVYXNM-KCSSXMTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-162684
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)Cc1ccc2c(OCO2)c1	EMOLS-id_317484456,ZINC22_1772713328,PC-id_137344287,MCULE-8752522208	660.717	HEURKCINOAUWEU-LPPUWEFUSA-N	00000010100000110101000000001010000000000000000000000000	31-01-162685
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CNC(=O)N(C)C	PC-id_137337860,ZINC22_1772704827,EMOLS-id_317489290,MCULE-5886765278	660.72	UCCBLWDBLDBQPP-BYXVTNLJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162686
c12n(C)ncc1c(=O)[nH]c(CN1CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3noc(C1)c3)n2	EMOLS-id_317503403,PC-id_137342799,ZINC22_1772713621,MCULE-4273890953	660.723	PKEBLFBZJFKDCP-CTUHWIOQSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162687
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OCCC)C(=O)OCCC	PC-id_3706265	660.74	NWPDPXYZJACIHS-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162688
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC(C)C)C(=O)OC(C)C	PC-id_4186594	660.74	ORANPATZDTVSIP-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162689
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)OCC)C(=O)OCC	PC-id_4384600	660.74	NPMHPHFVBKKZHU-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162690
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cccc(c1)OCC(=O)N	ZINC22_1772713363,EMOLS-id_317483937,MCULE-7391592661,PC-id_137339971	660.763	HWLHZLOARFCECP-JOMNFKBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162691
O=C(NC1CC1)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)n2nnc(CCCC(=O)NCCCC1)c2)CCCCN)CCCN=C(N)N	PC-id_73213843	660.768	WFSQZKHREDTQRY-FKBYEOEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-162692
C=C/C=CC(=NC)NCCNC(=O)c1[nH]c2c(c1)ccc(c2)NC(=O)c1[nH]c2=CC=C(CCC=c2c1)C(=O)NCCNc1cccc[n+]1C	PC-id_142877533	660.788	WSXODNTWLSPANA-RQBAKWLFSA-O	00000000100000101110000001100010000000000000000000000000	31-01-162693
c1(C(=O)N2CCCC(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](c3nc(C)nn3CC(=O)NCCC2)C(C)C)c(C)cc(n(CC)c1=O)C	EMOLS-id_317468533,PC-id_137335719,ZINC22_1772700666,MCULE-2649832564	660.806	HYBOSBLHSODOJU-JOMNFKBKSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162694
O=S(=O)(c1ccccc1)C/C(=C/C=C(/n1nnc2c1CCCCCC2)CS(=O)(=O)c1ccccc1)/n1nnc2c1CCCCCC2	PC-id_101800631	660.849	XCPPUBZZUKMKNP-VRQWBOTBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162695
CCCCCC1(COc2c(sc(c2OC1)/C=C(C#N)/C(=O)O)/C=C/c1ccc(cc1)N(c1ccccc1)c1ccccc1)CCCCC	PC-id_134849458	660.864	DBIKWFRYGSNYHY-KKEQATCYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162696
IC1NC(CN(c2c1nn(c2)CCc1ccccc1)C(=O)CN1C(COC1=O)c1ccccc1)Cc1ccccc1	PC-id_74395949	661.533	HZNOEJSQHRRKCU-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-162697
I[C@H]1NC(CN(c2c1nn(c2)CCc1ccccc1)C(=O)CN1C(COC1=O)c1ccccc1)Cc1ccccc1	PC-id_25144164	661.533	HZNOEJSQHRRKCU-ZFHIVFBUSA-N	00000010100000110101100000000010000000000000000000000000	31-01-162698
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2C)CCCCCC3)cc(OCC)c1OCc1ccc(Cl)cc1Cl	ZINC22_409010182	661.68	AQYWTROKNAOZPB-KEGTUQKMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162699
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2cccc(C)c2)CCCCCC3)cc(OCC)c1OCc1ccc(Cl)cc1Cl	ZINC22_409019763	661.68	XBIOFMXTCPUPCI-KEGTUQKMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162700
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCCCC3)cc(OCC)c1OCc1ccc(Cl)cc1Cl	ZINC22_409019823	661.68	XPTLIFRQXHKVLW-KEGTUQKMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162701
c1(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3noc(C2)c3)nn2c(C(=O)NCC2)c1	EMOLS-id_317496998,MCULE-4145284209,ZINC22_1772713101,PC-id_137342301	661.708	CTNYJFZHDKJYPO-UEVCKROQSA-N	00000000100010110101000000010010000000000000000000000000	31-01-162702
c1(SC(C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1c1cccc(c1)C(F)(F)F	EMOLS-id_22701324,MCULE-4059927899,PC-id_4201459	661.715	UUKFMNZDSYYFAQ-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-162703
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2cccc(c2)C(F)(F)F)CNC(=O)c2ccco2)C)sc2c1CCCCC2	CoCoCo_2662361,PC-id_99657252	661.715	UUKFMNZDSYYFAQ-QGZVFWFLSA-N	00000000101000110101100000000010000000000000000000000000	31-01-162704
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2cccc(c2)C(F)(F)F)CNC(=O)c2ccco2)C)sc2c1CCCCC2	CoCoCo_2662362,PC-id_99657253	661.715	UUKFMNZDSYYFAQ-KRWDZBQOSA-N	00000000101000110101100000000010000000000000000000000000	31-01-162705
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CN(C)CCOC	MCULE-3358621807,PC-id_137334712,EMOLS-id_317473905,ZINC22_1772701554	661.748	FNBNMZCFBBVMQE-LBNPDIFZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162706
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccccc1	PC-id_137344619,ZINC22_1772713036,MCULE-1782531950,EMOLS-id_317500070	661.791	ACZHVQNZYPFYQP-XNSHOJTPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162707
C=C/C=CC(=[NH+]C)NCCNC(=O)c1[nH]c2c(c1)ccc(c2)NC(=O)c1[nH]c2=CC=C(CCC=c2c1)C(=O)NCCNc1cccc[n+]1C	PC-id_142877532	661.796	WSXODNTWLSPANA-RQBAKWLFSA-P	00000000100000101110000001100010000000000000000000000000	31-01-162708
CC(C)c1nn(c2c1CN(CC2)COC)COCN1CC(Cc2c(C1)c(n[nH]2)C(C)C)CC(C)c1n[nH]c2c1CN(C2)CC(F)(F)F	PC-id_137456220,SCHEMBL20695509	661.804	WYZJDPRFMGNYFQ-UHFFFAOYSA-N	00000010100010000101000010010010000000000000000000000000	31-01-162709
s1c2c(CCCCC2)c(c1NC(=O)CSCC(=O)/N=c/1sc2c(n1CC(=O)OCC)ccc(c2)C(=O)OCC)C(=O)OCC	PC-id_4170411	661.809	KROYYAQMHJAORX-GCUVURNUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162710
CN(C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccn2C)C	PC-id_139750487	661.832	BDYUVXUHMPSGNQ-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-162711
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cn2c(ccc(Cl)c2)n1	ZINC22_1772713113,EMOLS-id_317495727,PC-id_137340304,MCULE-6924423685	662.182	DPRJEHZLLNHMSW-RNAHPLFWSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162712
COC(=O)c1c(OCCCCOCCCCOc2ccc3-c(cc2)c(cc3C(=O)OC)C(=O)OC)c(c2-c1ccc(cc2)O)C(=O)OC	PC-id_102426792	662.68	UJUYZBZTOJMXFF-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-162713
O=S(=O)(C(F)(F)F)N=C/C(=CC=Cc1cc(c2-c1ccc(cc2)C(C)(C)C)C(C)(C)C)/C1C=CN(C=C1)S(=O)(=O)C(F)(F)F	PC-id_102285257	662.706	UZEQHGWFNPRAKQ-GYPPRIPYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-162714
S(=O)(=O)(N1C=CC(C(=CC=Cc2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)/C=N/S(=O)(=O)C(F)(F)F)C=C1)C(F)(F)F	PC-id_42604931	662.706	UZEQHGWFNPRAKQ-MYOOSONBSA-N	00000010100011000110000000000010000000000000000000000000	31-01-162715
S(=O)(=O)(N1C=CC(C(=CC=Cc2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)C=NS(=O)(=O)C(F)(F)F)C=C1)C(F)(F)F	PC-id_74817965	662.706	UZEQHGWFNPRAKQ-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-162716
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)Cc1ccccc1OCc1ccccc1	MCULE-2351509007,PC-id_137334909,EMOLS-id_317487485,ZINC22_1772700427	662.733	DTSOOFLIVBGMOX-NCQDULDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162717
Cc1cc(C)n(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)c(=O)n1	ZINC22_1772713856,PC-id_137339738,MCULE-2611106799,EMOLS-id_317484717	662.736	ULPAAVIQRXAFRE-DNRSQYFGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162718
NCCNC(=O)C(Cc1c[nH]c2c1C=CC(CC2)C)NC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O	PC-id_143549963	662.778	URFSZRGIOVHZGI-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162719
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)CCc1c(C)nn(C)c1C	EMOLS-id_317511081,ZINC22_1772714499,PC-id_137339109,MCULE-2863549863	662.779	TWBVTQFDRCILAF-MWVDVNALSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162720
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2CCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700880,ZINC22_150391515,CoCoCo_2661778,MCULE-2439384042,PC-id_4137063	662.779	DPONGDIZAZYUMM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162721
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccccn1	MCULE-7600481511,PC-id_137341498,ZINC22_1772714343,EMOLS-id_317515944	662.779	MLJOGCZAZHHBPV-LWPQGVMLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162722
O=C1N[C@@H](CCCCNC(=O)CCCc2nnn(C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCN=C(N)N)c2)C(=O)C(=O)NC(C)C	PC-id_73213844	662.784	RFAOXOAJPPKPIG-FKBYEOEOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162723
N(c1ccc(cc1)C#Cc1c2-c(c(c1)C#Cc1ccc(N(c3ccccc3)c3ccccc3)cc1)ccccc2)(c1ccccc1)c1ccccc1	PC-id_85616833	662.818	GKKIVKMBQLEWRM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-162724
O=C(N1CCC(CC1)N1CCCC1)COc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750480	662.84	YZZMBGSCMVHGSX-UHFFFAOYSA-N	00000010100010110100100000000010000000000000000000000000	31-01-162725
O=C(N1CCCCc2c1ccs2)c1ccc(c(c1)OCCN1CCC(CC1)N1CCCCC1)NC(=O)c1ccccc1c1ccccc1	PC-id_139750518	662.883	CHFASOQKVYMLLP-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-162726
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3cc(cs3)CN3CCCC3)CCCNC(=O)Cn1nc(C)n2	MCULE-9246797557,ZINC22_1772705511,EMOLS-id_317481098,PC-id_137335008	662.888	TXVILYOCOJZFLM-NDKRRWIDSA-N	00000010100100110101000000000010000000000000000000000000	31-01-162727
CCCCOC[C@H]1O[C@@H](c2cccc(c2)Cc2cc3-c(c2C(=O)OC)ccccc3)[C@@H]([C@H]([C@@H]1OCCCC)OCCCC)OCCCC	PC-id_71219453,SCHEMBL14621970	662.895	UJRPJANUOUYTCA-CLAYRXPUSA-N	00000010100010110110100000000010000000000000000000000000	31-01-162728
O1C(C(OCCCC)C(OCCCC)C(OCCCC)C1c1cc(ccc1)Cc1c(c2-c(c1)ccccc2)C(=O)OC)COCCCC	PC-id_78039561	662.895	UJRPJANUOUYTCA-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-162729
Brc1c(OCc2cc(Cl)ccc2)c(OC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_4111904	662.979	LPVDBVARFUWUHO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162730
Brc1c(OCc2cc(Cl)ccc2)c(OC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_9647645	662.979	LPVDBVARFUWUHO-VWJSQJICSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162731
CCCCCC(=O)CCC(OCC1(COc2c(OC1)csc2)CCC(CC(C(=O)CCCCC)C)(COC(=C)CCCCC)C)C	PC-id_143518711	663.003	WQHJRYOMRBPBKC-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162732
C1CN(C(c2cc(nn2C1)CO)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F	SCHEMBL16099342,PC-id_90460214	663.455	QXLPDKBKLMZCAF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162733
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2c2cccc(c2)C(F)(F)F)sc2c(CCCCC2)c1C(=O)OCC	MCULE-4848956671,CoCoCo_2661477,PC-id_4250451,EMOLS-id_22700390	663.754	QYKFXLQOOONRPX-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-162734
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)Cc1cc(no1)C	PC-id_137335957,EMOLS-id_317459832,ZINC22_1772702947,MCULE-8404117462	663.767	YHUCMIAJEXESDW-WCUBMSFQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162735
c1(cnc2ccccn12)S(=O)(=O)N1CCCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](c2nc(C)nn2CC(=O)NCCC1)C(C)C	ZINC22_1772702780,EMOLS-id_317477505,MCULE-1293358875,PC-id_137337678	663.79	DIHBZPVBCHZLPI-RNAHPLFWSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162736
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2c2cccc(C)c2)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4061818,EMOLS-id_22700696,CoCoCo_2661668,MCULE-1491027207	663.807	WODPWPMRQDCNJJ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162737
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2ccc(cc2)OCC)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3561517,MCULE-2865496373,CoCoCo_2661364,EMOLS-id_22700214	663.807	NRRIJDFLCDPAGO-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162738
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2Cc2ccccc2)sc2CCCCCc12	MCULE-1308761710,EMOLS-id_22700668,CoCoCo_2661652,PC-id_5104854	663.807	BGQGNHFRAUZBAY-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162739
Brc1n(c2c(C(=CCN(C2=O)COCC[Si](C)(C)C)C(OS(=O)(=O)C)C(=O)OCC)c1)COCC[Si](C)(C)C	SCHEMBL7849381,PC-id_10876112	667.758	UANDNMPUGPJMQB-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-162816
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2Cc2ccccc2)sc2CCCCCc12	EMOLS-id_22699972,PC-id_5053928,MCULE-5834055862,CoCoCo_2661215	663.807	OCAAMCLLNSGFNJ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162740
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2c2ccccc2OC)sc2CCCCCc12	MCULE-3518884925,EMOLS-id_22700048,PC-id_3407724,CoCoCo_2661259	663.807	MJNCRUUPYACLHP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162741
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2cccnc2N)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	ZINC22_1772818105,MCULE-7116238107,EMOLS-id_317894088	663.81	ZXSQGLZMRNFCMQ-LWPQGVMLSA-N	00000000100000111101000000000010000000000000000000000000	31-01-162742
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2ccnc(C)n2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	EMOLS-id_317518252,ZINC22_1772713212,PC-id_137339140,MCULE-5175145719	663.81	AIKXAGCIGAEGPY-YBBGPBPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162743
O=C(N1CCN(CC1)C(=N)C)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750500	663.828	QEPWUOGVNDJBFL-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-162744
CCC(CCCN=C(/C(=C/C)/c1sc2c(n1)CC=CC=CC2)NC(=NC)NCc1cc2cnn(c2cc1F)C(=O)OC(C)(C)C)CO	PC-id_143946398	663.848	OIZXBAFLVNMBNR-CGEBPEFRSA-N	00000000100000100111000001000010000000000000000000000000	31-01-162745
ClC(Cl)(Cl)C(OC(=O)NC1CC(c2nc(sc2)CC(OC(=O)C=CC=C(CC(OC(=O)C1)C)C)C=C(C)C=O)C)(C)C	PC-id_72823209	664.037	CYRYQUTYXATALS-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162746
ClC(Cl)(Cl)C(OC(=O)N[C@@H]1C[C@@H](c2nc(sc2)C[C@H](OC(=O)C=CC=C(C[C@@H](OC(=O)C1)C)C)/C=C(C)/C=O)C)(C)C	PC-id_11377327	664.037	CYRYQUTYXATALS-RIZWJUFUSA-N	00000000100000000111000000000010000000000000000000000000	31-01-162747
CC1CCC(C1NS(=O)(=O)C2=C3C=CCCCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278744	664.253	QXOAVVJDVLLGDW-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-162748
CCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)I)I	PC-id_19102892,SCHEMBL9337136	664.273	QSHSSCTVNGJZSW-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-162749
c1(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3noc(C2)c3)cc(=O)n(c(=O)n1C)C	MCULE-2789023790,EMOLS-id_317463938,PC-id_137335182,ZINC22_1772706815	664.709	XZKBZASNTBMKLM-UEVCKROQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162750
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)OC)n2c2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22699710,CoCoCo_2661062,MCULE-7227992116,PC-id_4102844	664.752	SEXPZBSXZSAOCZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162751
c1(NC(=O)CSc2nnc(CNC(=O)c3ccccc3OC)n2c2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	PC-id_3497463,CoCoCo_2661731,EMOLS-id_22700798,MCULE-6650280899	664.752	VAIKAWPHIKLDKZ-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162752
c1(NC(=O)CSc2nnc(CNC(=O)c3cccc(OC)c3)n2c2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4535215,EMOLS-id_22700568,CoCoCo_2661589,MCULE-6089810202	664.752	ZKSDSHBHLQVYEC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162753
c1(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2c2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4410448,EMOLS-id_22700220,CoCoCo_2661367,MCULE-6084892970	664.752	NDHZNUVCDTYHNT-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162754
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)[N+](=O)[O-])n2c2ccccc2OC)sc2CCCCCc12	EMOLS-id_22699796,PC-id_5097226,MCULE-7901803842,CoCoCo_2661117	664.752	VLPDPWRFSNBCIM-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162755
CCCCCCCCCCCCCCCC(=O)OC(C(=O)Nc1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)Br	PC-id_102055019	664.755	QGYNVOKAQPLJKL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-162756
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2cnc(N)nc2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	MCULE-8880862623,ZINC22_1772714059,EMOLS-id_317499567,PC-id_137342539	664.798	XUDNUCPXIFAPSV-ZQLNOWDWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162757
CN(C1CCN(CC1)C(=O)CCCOc1cc(ccc1C(=O)N1CCCCc2c1ccs2)NC(=O)c1ccccc1c1ccccc1)C	PC-id_139750479	664.856	YRXBFMMMKGUSBK-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-162758
CN(C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2)C	CHEMBL430083,PC-id_9939929,TT-id_D02RDE,BindingDB_PC-id_9939929	664.856	LKUCMBNAHQWPJK-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-162759
CCCCCCCC(=O)SCC/C=C/C1CC(=O)N[C@@H](CC)C(=O)N[C@@H](C(C)C)C(=O)NC(c2nc(C(=O)O1)cs2)C(C)(C)C	PC-id_122216911	664.919	KLGDVMZJVNLWHC-REQIOQQSSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162760
CCCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCCCCCC)CCCCCCCC	PC-id_19102906,SCHEMBL9335221	664.959	ZCQZCDGMQSHHLF-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-162761
CCCCCCCCCc1cc2c(cc(c1=O)CCCCCCCCC)nc(n2Cc1ccc(cc1)c1ccccc1C(=O)O)CCCC	SCHEMBL9337306,PC-id_19102862	664.959	KVWPNKJDQNPLSK-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-162762
O(C(=O)c1c2-c(c(c1)C(=C(C#N)C#N)C(=C(C#N)C#N)c1ccc3-c(c(c(N)c3C(=O)OCC)C(=O)OCC)cc1)cccc(C(C)C)c2)C	PC-id_73292107	665.693	OZJLZLCDERAWLE-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-162763
CCCC(=O)c1cn(CC(=O)N2CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3cc(on3)C2)c2ccccc12	MCULE-2469430206,EMOLS-id_317497004,PC-id_137345783,ZINC22_1772713038	665.737	AEDXWXLFRNHCGG-PKQQGCBCSA-N	00000000100000100101000001100010000000000000000000000000	31-01-162764
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC(=O)OC)ccc(c2)C(=O)OCC)C(=O)OC	PC-id_4064026	665.755	GQKRILQJBVBKDG-SJCQXOIGSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162765
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC(=O)OC)ccc(c2)C(=O)OC)C(=O)OCC	PC-id_4114593	665.755	NQSRYIWLKKMJHU-SJCQXOIGSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162766
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
/sc2c(n1CC(=O)OCC)ccc(c2)C(=O)OC)C(=O)OC	PC-id_4688696	665.755	BCWAYNTVAHMUKF-SJCQXOIGSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162767
C[C@@H]1NC(=O)c2cc(CN(CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC1=O)S(=O)(=O)N1CCCC1)on2	MCULE-6605751853,ZINC22_1772703224,PC-id_137335247,EMOLS-id_317490055	665.76	KEICECDSVHICOR-FDJWOJMMSA-N	00000010100000110101000000000010000000000000000000000000	31-01-162768
COc1cccc(c1)c1cccc(c1)C(=O)N1C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2nc(C)nc2[C@H](Cc2ccccc2)NC(=O)C1)C(C)C	EMOLS-id_317343151,MCULE-5188629634,ZINC22_1704327352,PC-id_135118918	665.781	RWAHXJZQFYRIJI-AVCZWDQHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162769
CCOC(=O)C1=C(CN(C(=O)c2c1c(C)c(n2COCC[Si](C)(C)C)Br)COCC[Si](C)(C)C)OS(=O)(=O)C	PC-id_88377796,SCHEMBL8863568	667.758	ZHOOUSZJIBRWQL-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-162817
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cn(C)cn1	PC-id_137343454,EMOLS-id_317504684,ZINC22_1772713533,MCULE-2990377459	665.783	OZAOKNMJSLVOBO-ZQLNOWDWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162770
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1c[nH]c(C)n1	EMOLS-id_317483690,PC-id_137345226,MCULE-5995342851,ZINC22_1772713875	665.783	VLFYMCBPTDMANI-NOUQMAPCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162771
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cccc(c1)S(=O)(=O)C	MCULE-9573472478,EMOLS-id_317476466,PC-id_137335515,ZINC22_1772701647	665.803	GKTYLHGZENDNFE-OFSOJUDTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162776
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccoc1)n2	MCULE-6111522428,PC-id_135100943,ZINC22_1704319935,EMOLS-id_317378441	665.803	ZADRLZHXEHLQSR-SVAWTBLWSA-N	00000000101000110101000000000010000000000000000000000000	31-01-162777
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)C1CCN(CC1)C(=O)N(C)C	PC-id_137340499,ZINC22_1772713661,MCULE-1482161245,EMOLS-id_317483426	665.826	OFHCJSAUTYJGRU-OFSOJUDTSA-N	00000000100010110101000000000010000000000000000000000000	31-01-162778
CN1CCN(CC1)CC(=O)NCCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750470	665.844	WNYLHAFBRLHROE-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-162779
O=C(N1CCC(CC1)[NH+](C)C)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	GD-id_ZINC03933652	665.864	LKUCMBNAHQWPJK-UHFFFAOYSA-O	00000000100010110100100000000010000000000000000000000000	31-01-162780
CCC(NCc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)Nc1ccc(cc1)CCc1ccc(cc1)C(=O)OC)CCCCCC2)CC	PC-id_117838003,SCHEMBL16420841	665.884	BUQBNEANNSZMIS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162781
CC1CCC(C1NS(=O)(=O)C2=C3CCCCCN3C(=C2C)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278771	666.269	CHGXLWQOUAHVDB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-162782
Ic1c2-c(ccc(C(C)(C)C)cc2)c(c1)C#CC#Cc1c2-c(ccc(C(C)(C)C)cc2)c(I)c1	PC-id_16085578	666.374	CYGOUAGBILMGHD-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-162783
C(F)(F)(C(F)(F)C(=O)Nc1sc2c(CCCCCC2)c1C#N)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCCCCC2)c1C#N	BindingDB_PC-id_4573536,MCULE-2324556905,PC-id_4573536,EMOLS-id_4202969,CoCoCo_6793725,SPECS-id_AK-968/40370650,ZINC22_8397773,GD-id_ZINC08397773	666.649	XTZIDZWATABSGT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162784
COc1ccc(c(c1Cc1cc2-c(c1C(=O)OC)ccccc2)OC)[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C	SCHEMBL14590131,PC-id_58786230	666.668	MANHGWHOIDLRSG-LPQKCQPYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-162785
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C)c1c(OC)c(c(OC)cc1)Cc1c(c2-c(c1)ccccc2)C(=O)OC	PC-id_72423713	666.668	MANHGWHOIDLRSG-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-162786
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	PC-id_19822336,SCHEMBL9650499	666.718	MPPOQGMSHGAJCA-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-162787
O1[C@@H](n2nnc(c2)COC(=O)CCc2c3-c(cc(C(C)C)cc2)c(cc3)C)[C@H](NC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1COC(=O)C	PC-id_11700302	666.718	QNFSGJIYFQZSOQ-KOWJEQRQSA-N	00000010100010000111100000000010000000000000000000000000	31-01-162788
O1[C@@H](n2nncc2COC(=O)CCc2c3-c(cc(C(C)C)cc2)c(cc3)C)[C@H](NC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1COC(=O)C	PC-id_11721645	666.718	NFBQADWZDJHDOJ-KOWJEQRQSA-N	00000010100010000111100000000010000000000000000000000000	31-01-162789
O1C(n2nnc(c2)COC(=O)CCc2c3-c(cc(C(C)C)cc2)c(cc3)C)C(NC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C	PC-id_73066397	666.718	QNFSGJIYFQZSOQ-UHFFFAOYSA-N	00000010100010000111100000000010000000000000000000000000	31-01-162790
O1C(n2nncc2COC(=O)CCc2c3-c(cc(C(C)C)cc2)c(cc3)C)C(NC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C	PC-id_73073180	666.718	NFBQADWZDJHDOJ-UHFFFAOYSA-N	00000010100010000111100000000010000000000000000000000000	31-01-162791
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cc(C)on1	ZINC22_1772705454,PC-id_137334593,MCULE-7127049018,EMOLS-id_317462913	666.768	RJKWAOCUNGCFCC-QCAMCUJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162793
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ncoc1C	MCULE-1767399522,PC-id_137337758,EMOLS-id_317482381,ZINC22_1772702934	666.768	FEAHWPDVFRLKST-FONBTEPMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162794
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cnc(nc1)c1ccncc1	MCULE-3437931151,PC-id_137340764,EMOLS-id_317494436,ZINC22_1772713803	666.773	SQMBJKICFAUAEH-MVSFAKPFSA-N	00000000100000111101100000000010000000000000000000000000	31-01-162795
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1ccc(cc1)S(=O)(=O)C	MCULE-5169879317,EMOLS-id_317520811,ZINC22_1772713275,PC-id_137338920	666.788	BSJVRXZISQORLL-MWVDVNALSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162796
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1c(C)nsn1	EMOLS-id_317890761,MCULE-5988220446,ZINC22_1772817091	666.794	GZGHGYKBDJSTRB-CLLDFNAGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162797
O=C(C(c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)N1CCOCC1)N1CCC1	PC-id_57625153,SCHEMBL1203972	666.832	WDUNYBVIDNPJQT-UHFFFAOYSA-N	00001000100010110101100000000010000000000000000000000000	31-01-162798
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)S(=O)(=O)N(C)Cc1ccccc1	ZINC22_1772713327,EMOLS-id_317460924,PC-id_137344784,MCULE-5530480224	666.834	CZXIXWUUQHPAQR-MVSFAKPFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162799
s1c2c(CCCCC2)c(c1NC(=O)Nc1cc(NC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)ccc1C)C(=O)COCC	PC-id_3130168	666.85	XHAFTFACVVEDLM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162800
CSc1ccccc1NC(=O)N(C1(C)C=CC=c2c(=C1)cc(s2)C(=O)N1CCSCC1)Cc1cncn1Cc1ccc(cc1)C#N	PC-id_142190682	666.878	WETZXKZUFBFMIS-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-162801
O1CCOCCOCCOCCOCC2=C(C1)SC(=CC=C1SC3=C(S1)COCCOCCOCCOCCOC3)S2	PC-id_102163889	666.887	DSWCSAXFJSCHGZ-UHFFFAOYSA-N	00000011000000000111000000000010000000000000000000000000	31-01-162802
Cc1c2-c(c(cc2C=Cc2cc(c3-c2c(ccc(c3)C(C)C)C)C=CC2=[N+](C(CC2)(C)C)[O-])C=CC2=[N+](C(CC2)(C)C)[O-])cc(cc1)C(C)C	PC-id_88955519	666.933	SIUBAMNNTNNURQ-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-162803
[O-][N+]1=C(CCC1(C)C)/C=C/c1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=C/C1=[N+]([O-])C(CC1)(C)C	SCHEMBL12743799	666.933	SIUBAMNNTNNURQ-DSWWQKBJSA-N	00000011100000000110000000000010000000000000000000000000	31-01-162804
C1Cc2c(cc(s2)Cl)N(C(=O)C1I)CC1Cc2c(cc(s2)Cl)NC(=O)C1I	PC-id_134267365,SCHEMBL19880627	667.15	QQSHPONLBHZRKJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162805
s1c2c(CCCCC2)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_5045673	667.404	QCJDDPQMBJIUHO-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162806
s1c2c(CCCCCC2)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_4196347	667.404	DHUVZDFKYXUKAB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162807
Fc1cc(cc(c1)F)CC(c1ncccc1c1ccc(c(c1)C(=O)N)F)NC1=S=CCCC(c2c(n(C1)nc2C(F)(F)F)C)(F)F	PC-id_144505082	667.615	FWIZGKKRNUISRW-UHFFFAOYSA-N	00000000100000111111100000000010000000000000000000000000	31-01-162808
Clc1c(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)c3ccccc3)ccc2)ccc(Cl)c1	PC-id_18909341	667.665	JPHROCGOXHLYMR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162809
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1n1nnc(c1)COC(=O)CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)COC(=O)C	PC-id_73008350	667.703	LGGDCCVMWCREQJ-UHFFFAOYSA-N	00000010100010000111100000000010000000000000000000000000	31-01-162810
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1n1nncc1COC(=O)CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)COC(=O)C	PC-id_73015066	667.703	DBZPDAHRUOYOMJ-UHFFFAOYSA-N	00000010100010000111100000000010000000000000000000000000	31-01-162811
O1[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1n1nnc(c1)COC(=O)CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)COC(=O)C	PC-id_11563752	667.703	LGGDCCVMWCREQJ-QLYCUWNVSA-N	00000010100010000111100000000010000000000000000000000000	31-01-162812
O1[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1n1nncc1COC(=O)CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)COC(=O)C	PC-id_11571092	667.703	DBZPDAHRUOYOMJ-QLYCUWNVSA-N	00000010100010000111100000000010000000000000000000000000	31-01-162813
CCOC(=O)c1cc(c2-c1ccc(cc2)/C=C/[PH-]([C+]1C=C[CH+]C=C1)(c1ccccc1)(c1ccccc1)Nc1ccccc1N)C(=O)OCC	PC-id_102518008	667.752	QPZDZLQCJSUCMC-ZQHSETAFSA-N	00000010100011110110000000000010000000000000000000000000	31-01-162814
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1nonc1C	ZINC22_1772713521,PC-id_137339718,MCULE-1215000541,EMOLS-id_317482913	667.756	KLGISLUJBQEPEP-AXTPWFNZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162815
CCOC(=O)C1=C(CN(C(=O)c2c1c(C)c(n2COC([Si](C)(C)C)C)Br)COC([Si](C)(C)C)C)OS(=O)(=O)C	PC-id_88377795,SCHEMBL8863565	667.758	GWUPYEDOMQZEPV-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-162818
CCOC(=O)C1=CCN(C(=O)c2c1c(c(n2COCC[Si](C)(C)C)Br)COS(=O)(=O)C)COCC[Si](C)(C)C	SCHEMBL7849382,PC-id_86750711	667.758	STSOMQPYAIHMGQ-UHFFFAOYSA-N	00000000100000000110000000000010000000000000000000000000	31-01-162819
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	MCULE-1845783811,EMOLS-id_22700656,CoCoCo_2661645,PC-id_4654707	667.771	RLJGTPIOCXSKSN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162820
c1(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2c2ccc(cc2)F)sc2c(CCCCC2)c1C(=O)OCC	MCULE-9878920365,PC-id_4259835,CoCoCo_2661208,EMOLS-id_22699958	667.771	OVQIXDWMBJHALA-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162821
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)Cc1c(C)nn(c3ccccc3)c1C)CC(=O)N[C@H]2Cc1ccccc1	EMOLS-id_317379226,ZINC22_1704321807,PC-id_135110697,MCULE-2120588252	667.8	APTWBBBJECXFEX-XGJRVREISA-N	00000000100000110101100000000010000000000000000000000000	31-01-162822
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053599	667.837	LZEHHYDGKNVFKE-OFWBYEQRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162823
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053731	667.837	YAXSJFPVJIZYCA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162824
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053863	667.837	KAIJBCKIMHYDMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162825
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73512753	667.837	LZEHHYDGKNVFKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162826
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053633	667.837	PJPYOAWPYXKKQS-OFWBYEQRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162827
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053765	667.837	RAYXJIWMMUCMBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162828
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053897	667.837	CXKLDAMDNMBQEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162829
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73512787	667.837	PJPYOAWPYXKKQS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162830
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19321753	667.837	VOLPGFITLLHOMH-IADYIPOJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162831
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73601150	667.837	VOLPGFITLLHOMH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162832
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19321688	667.837	IJGVGADHKGZIEI-SWKFRHMKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162833
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73601085	667.837	IJGVGADHKGZIEI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162834
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053634	667.837	PDEQSPQBQDOVTA-OFWBYEQRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162835
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053766	667.837	HYRHPDMJFKYXTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162836
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053898	667.837	QGWPTQZOYBJLMD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162837
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73512788	667.837	PDEQSPQBQDOVTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162838
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19321689	667.837	GNOVAENYWXTOSX-SWKFRHMKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162839
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73601086	667.837	GNOVAENYWXTOSX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162840
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19321723	667.837	KZELLEQTYIYSAK-SWKFRHMKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162841
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73601120	667.837	KZELLEQTYIYSAK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162842
C(c1c2-c(c([C+](c3c4-c(c(C(C)(C)C)c3)ccc(C(C)(C)C)cc4)c3ccc(cc3)C#Cc3ccccc3)c1)ccc(C(C)(C)C)cc2)(C)(C)C	PC-id_16100543	667.982	KSLGVASOWRTNRR-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-162843
CC(C)(C)c1ccc2-c(c(cc2C(C)(C)C)/C(=C/C=C(c3c2cc[c+](cc3)C(C)(C)C)C(C)(C)C)/c2ccc(cc2)C#Cc2ccccc2)cc1	PC-id_135547558	667.982	KSLGVASOWRTNRR-DXQPIMRTSA-N	00000011100000110110000000000010000000000000000000000000	31-01-162844
CC(C)(C)c1ccc2-c(c(cc2C(C)(C)C)/C(=C/2C=C(c3c2cc[c+](cc3)C(C)(C)C)C(C)(C)C)/c2ccc(cc2)C#Cc2ccccc2)cc1	PC-id_135590964	667.982	KSLGVASOWRTNRR-HPVLHQIISA-N	00000011100000110110000000000010000000000000000000000000	31-01-162845
CC1CCC(N1S(=O)(=O)C2=C3C=CCCCN3C(=C2C)C(=O)NC4=CC(=C(C(=C4)F)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278729	668.228	FWSLRIXHTHAXIK-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-162846
CC1=CC=C(C=C1)SNC(CNC(=O)C2=CN3CCCN(C(=O)C3=C2)C(C)(C)C4=CC=C(C=C4)NC(=O)NC5=CC=CC=C5C)C(=O)O	PC-id_149121952	668.278	QZRRLQDQOIRKAM-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162847
CC(C)OC(=O)C1=CN(CC(C2=C(N(N=C12)CC3=CC=C(C=C3)OC)C(F)(F)F)(C)C)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5	PC-id_161423817	668.319	VXBZRWCKHFGCRC-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-162848
Brc1cc2sc(=NC(=O)CSCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)n(c2cc1)CC(=O)OCC	PC-id_4298948	668.643	QEIOIZADSZVMAL-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162849
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)Cn1cccnc1=O	ZINC22_1772704229,MCULE-8253497282,EMOLS-id_317475959,PC-id_137338310	668.699	SDJFQOLQHZLBEL-FDJWOJMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162850
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cnsc1	EMOLS-id_317457074,MCULE-9537063505,PC-id_137343087,ZINC22_1772713663	668.807	OHRQXPZSMCXIPC-FONBTEPMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162851
O(c1c(Cc2c3-c(c(c2OC)Cc2c4-c(cc2OC)ccccc4)ccccc3)c2-c(c1Cc1c3-c(cc1OC)ccccc3)ccccc2)C	PC-id_14116448	668.818	JCESPPDITOXQEN-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-162852
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(CCCCCC2)c1C#N	PC-id_5158004	668.822	XYVVKVSPTKBSQN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162853
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cccnc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19053269	668.825	SMCKUJGDYDYKOX-RRAHZORUSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162854
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cccnc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73512423	668.825	SMCKUJGDYDYKOX-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162855
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cccnc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19053204	668.825	NVRLVHGCBFOYTF-BRPDVVIDSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162856
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cccnc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73512358	668.825	NVRLVHGCBFOYTF-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162857
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cccnc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053205	668.825	ZEPJARHNCPDAJV-BRPDVVIDSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162858
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cccnc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73512359	668.825	ZEPJARHNCPDAJV-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162859
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2cccnc2)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053239	668.825	OLABRHYYQIQCFE-BRPDVVIDSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162860
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cccnc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73512393	668.825	OLABRHYYQIQCFE-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-162861
CCCNC(=O)C(c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)N1CCOCC1	PC-id_66941043,SCHEMBL1203987	668.848	JONQERBVSORSQC-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-162862
CCN(C(=O)C(c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)N1CCOCC1)C	SCHEMBL1203890,PC-id_57625175	668.848	RIMRRODHDHOWLV-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-162863
O=C(Nc1cccc(c1C)c1cn(C)c(=O)c(n1)Nc1ccc(cc1)C(C(=O)N1CCC1)N(C(C)C)C)Oc1cc2c(s1)CCCCC2	PC-id_122437506,SCHEMBL17957191	668.848	FEQRUJNDTASXQT-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-162864
C(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)c1ccc(cc1)C#Cc1ccccc1	PC-id_16100548	668.99	NSQGENBPRWPBLG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-162865
Clc1ccc(cc1)Cn1c(OCCCOc2cccc(c2)OC(F)(F)F)nc2c1COCN(C(=O)N2C)CCOC1CCCCO1	SCHEMBL18834191	669.088	WPKOVLKZIBPOST-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-162866
Cc1ccc(cc1)SNC(CNC(=O)c1nn2CCCN(C(=O)c2c1)C(C)(C)c1ccc(cc1)NC(=O)Nc1ccccc1C)C(=O)O	PC-id_163916489	669.273	QWRYWYZDUWSSDG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162867
Clc1c(CS(=O)(=O)c2cc3C(=Cc4[nH]c5c(c4CCC(=O)N4CCN(CC4)C)C(=O)CCCC5)C(=O)Nc3cc2)c(Cl)ccc1	PC-id_72275680	669.618	WUDCMUAFZWOBGA-UHFFFAOYSA-N	00000010100010110101000000001010000000000000000000000000	31-01-162868
Clc1c(CS(=O)(=O)c2cc3/C(=C/c4[nH]c5c(c4CCC(=O)N4CCN(CC4)C)C(=O)CCCC5)/C(=O)Nc3cc2)c(Cl)ccc1	SCHEMBL12792860,PC-id_59406599	669.618	WUDCMUAFZWOBGA-NKFKGCMQSA-N	00000010100010110101000000001010000000000000000000000000	31-01-162869
c1(c(CC)noc1C)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2noc(C1)c2	EMOLS-id_317460870,MCULE-1798623068,PC-id_137337402,ZINC22_1772703339	669.727	FLANTUYXGUUFMX-TXQOIQMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162870
c1(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3noc(C2)c3)cn(nn1)c1ccccc1	ZINC22_1772713505,EMOLS-id_317484207,PC-id_137340885,MCULE-9571118611	669.73	KAYLBLYSFHHMGP-GDKKVTFASA-N	00000000100000110101100000000010000000000000000000000000	31-01-162871
CC(c1cccc(c1[Se][C@H]([C@H](c1ccc2-c1ccccc2)c1ccccc1)C)C(OCc1ccccc1)C)OCc1ccccc1	PC-id_102213043	669.752	AXJITPFLPVJRQY-DUBMWZIGSA-N	00000010100000110110000000000010000000000000000000000000	31-01-162872
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(cc1)c1nnn(C)n1	MCULE-5617401321,ZINC22_1772713893,EMOLS-id_317458098,PC-id_137343098	669.777	VOIUDQLNNFUHAJ-OFSOJUDTSA-N	00000000100000110101100000000010000000000000000000000000	31-01-162873
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(cc1)Cn1cnnn1	EMOLS-id_317470084,MCULE-8261446398,PC-id_137337620,ZINC22_1772707428	669.777	ZRFNGJVOTXFIIM-MVSFAKPFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162874
COC(=O)c1cc(c2-c1cc(ccc2)C(C)C)C#Cc1ccc(cc1)Nc1ccc(cc1)C#Cc1cc(c2-c1cccc(c2)C(C)C)C(=O)OC	PC-id_102233612	669.806	MWVJCWLGEDFZNW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-162875
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(OC)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19051652	669.81	BBOQALANQSLCRM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162876
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2cc(OC)ccc2)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19051916	669.81	PXSAQQXKTDHNHE-BRPDVVIDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162877
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cc(OC)ccc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73511070	669.81	PXSAQQXKTDHNHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162878
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OC)cccc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19051784	669.81	OKEVDZXSXUHRID-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162879
O=C(N[C@H]1Cc2nnn(c2)CCCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC1=O)CC1CCCCC1)C(=O)S)OCc1ccccc1	PC-id_118988401	669.835	ICKQAOYCVRJRAP-KCHLEUMXSA-N	00000000100010110101000000000010000000000000000000000000	31-01-162880
CNCC(COCC(Cn1nnc2c1CCN(CC(C2)OC)C(=O)CCCC(=O)NCCCOCCOCCOCCCN)C)(C)C	PC-id_144152987	669.896	JXUQNCRPBNUVJL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162881
COC(=O)c1ccc(cc1)[C@H]([C@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)C(=O)OC)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102352771	690.908	KFJVVRQTDWUWAP-ZYBCLOSLSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163372
Clc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)Cl)C(=O)c1c(sc2c1CCCCC2)NS(=O)(=O)c1ccc(cc1)Cl	PC-id_11643245,SCHEMBL4134787	670.047	HSDWWDBPJMXFFH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162882
CC1CCC(N1S(=O)(=O)C2=C3CCCCCN3C(=C2C)C(=O)NC4=CC(=C(C(=C4)F)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278845	670.244	QOASMARFUKRHGD-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-162883
s1c2c(CCCCCC2)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)N	PC-id_4576434	670.383	ILYFSMJSXCEEFC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162884
Cc1ccc(C)c(NC(=O)c2c(/N=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)sc3c2CCCCCC3)c1	ZINC22_408971054	670.486	GPZQSEZNBFAYPL-RQRWGXNHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162885
CC(C(C(=O)N1CCCC1C(=O)O)NC(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I)C	SCHEMBL4506221,PC-id_69071239	670.535	AKMUKKJWNVUMNN-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-162886
Ic1ccc(c(c1)F)Nc1sc2c(c1C(=O)NCC1CCCCN1C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	SCHEMBL4499880,PC-id_69068310	670.578	IXZLNCDKTXGYCQ-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-162887
Clc1cc2[nH]c(nc2cc1)C(C1N(CC(c2c(sc(c2)C(=O)NC(c2[nH]c3c(n2)ccc(Cl)c3)COC)C1)C)C)COC(=O)N	PC-id_77626685	670.609	QXUVBEXXVIYEKD-UHFFFAOYSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162888
Clc1cc2[nH]c(nc2cc1)[C@@H](C1N(CC(c2c(sc(c2)C(=O)N[C@H](c2[nH]c3c(n2)ccc(Cl)c3)COC)C1)C)C)COC(=O)N	PC-id_69190990,SCHEMBL4789090	670.609	QXUVBEXXVIYEKD-MADZHSOUSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162889
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CCn1c(C)nnn1	ZINC22_1772713276,MCULE-4884517449,EMOLS-id_317502638,PC-id_137344407	670.718	INGBSHZCZRJJSV-KWTBFXGESA-N	00000000100000110101000000000010000000000000000000000000	31-01-162890
CC(C)OC(=O)C1=CN(CC(c2c(n(nc12)Cc1ccc(cc1)OC)C(F)(F)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1	SCHEMBL20575322,PC-id_137351449	670.718	SEZIGTRVTWOIIH-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-162891
CC/C=C(C(=C/COc1ccccc1F)C)/n1c(c(cn1)C(=O)c1cc2=CC(C=CC(C=c2[nH]1)NC1CN(C1)S(=O)C)OC(F)F)N	PC-id_134449123,SCHEMBL20084796	670.745	PBYNDQSVTJYHHP-NOSMZVFNSA-N	00001000100000110111000000000010000000000000000000000000	31-01-162892
c12c(C)cccn1c(cn2)CC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	ZINC22_1772714372,MCULE-9475681515,EMOLS-id_317520807,PC-id_137343751	670.758	NSGOWMRFVPYHGW-XTBZXYEFSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162893
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)Cc1cncn1CCOC	MCULE-3312939624,PC-id_137335357,EMOLS-id_317495676,ZINC22_1772706083	670.758	ORARQJZQENFCNI-NSQMQTOTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162894
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)Cc1cn(nc1C)CCO	MCULE-4139153833,ZINC22_1772713600,EMOLS-id_317482670,PC-id_137340234	670.758	MYMQDMICFHGFGG-NSQMQTOTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162895
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)Cc1nccn1CCOC	ZINC22_1772714239,PC-id_137340379,EMOLS-id_317511083,MCULE-2546548908	670.758	HBRBNGJKKHIFBR-DOUMQJFESA-N	00000000100000110101000000000010000000000000000000000000	31-01-162896
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(Cc3[nH]c4c(cccc4)n3)CCNC(=O)Cn1nc(C)n2	EMOLS-id_317511840,PC-id_137341205,MCULE-3836611562,ZINC22_1772714261	670.804	IBRIISMINFEJHR-QUKBAVLQSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162897
OCCN(C(=O)C(c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)Oc1cc2c(s1)CCCCC2)N1CCC1)C	PC-id_122437507,SCHEMBL17957192	670.821	CCUCVLHCALMIFQ-UHFFFAOYSA-N	00001000100000110101100000000010000000000000000000000000	31-01-162898
O=C(Nc1cccc(c1C)c1cn(C)c(=O)c(n1)Nc1ccc(cc1)C(C(=O)N(C)C)N1CCOCC1)Oc1cc2c(s1)CCCCC2	SCHEMBL17957182,PC-id_122437497	670.821	NEMXRRKNYCMLOU-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-162899
Cc1ccc(cc1)S(=O)(=O)N/C=C(/c1cc(c2-c1ccccc2)/C(=C/NS(=O)(=O)c1ccc(cc1)C)/c1ccccc1)c1ccccc1	PC-id_102367284	670.839	KWEYVQBWZDTONX-SDOZPZOWSA-N	00000010100000110110000000000010000000000000000000000000	31-01-162900
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)Cc1ccc(cc1)O	PC-id_60152729,SCHEMBL14980348	670.839	HDIRCYGVIMPDET-WNKCAMQHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162901
S(C(=O)CCCCCCC)CCC=CC1OC(=O)C(NC(=O)C(=CC)NC(=O)c2nc(sc2)CNC(=O)C1)Cc1ccc(O)cc1	PC-id_72665201	670.839	HDIRCYGVIMPDET-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162902
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(Oc2ccc(C(=O)Nc3sc4c(CCCCC4)c3C(=O)NC)cc2)cc1)C(=O)NC	PC-id_43947639	670.841	TYLKIQSFTQBSIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162903
CC1=CC(=C(C2=[S+]C(=C(c3cc(c4-c3ccccc4)C)c3cc(c4-c3ccccc4)C)C=C2)c2cc(c3-c2ccccc3)C)[c+]2c1ccccc2	PC-id_91868545	670.902	DFYHREQEPKPYJC-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-162904
s1c(=C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)ccc1=C(c1c2-c(c(c1)C)ccccc2)c1c2-c(c(c1)C)ccccc2	PC-id_10675959	670.902	MFUCZQQGIRNODL-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-162905
O(c1c(C(C)(C)C)cc(OC(=O)c2c3-c(c(c2)C)cc(C(C)C)ccc3C)c(C(C)(C)C)c1)C(=O)c1c2-c(c(c1)C)cc(C(C)C)ccc2C	PC-id_12122692	670.919	AXDSLBYYUYLLAL-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-162906
CCCCC(c1nc2c([nH]1)CC=CC(=C2)OCC=O)(NC(=O)c1ccc(c(c1)N(CC(C=C)C)CCOC/C=C/CC)C(=C)CCCC)C	PC-id_143093387	670.924	OVLYGDBVKLWVLO-NTCAYCPXSA-N	00000000100000110111000000000010000000000000000000000000	31-01-162907
CCC[C@H](c1ccc(c(c1)[N+](=O)[O-])C(=O)OC(C)(C)C)NC(=O)N1Cc2nn(c(=O)n2C[C@@H](C1=O)Cc1cc(Cl)ccc1OC)CC	SCHEMBL12979606,PC-id_70815099	671.14	HXQKXDLYRMIFRX-XUZZJYLKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162908
Clc1cc(CC2Cn3c(nn(c3=O)CC)CN(C2=O)C(=O)NC(CCC)c2cc([N+](=O)[O-])c(cc2)C(=O)OC(C)(C)C)c(OC)cc1	PC-id_77927989	671.14	HXQKXDLYRMIFRX-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162909
s1c2c(CCCCC2)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_4550181	671.368	GLRVIRMJUPRFIW-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162910
CC(C)(C)C[C@H](CCCCNC(=O)COC1CCCCCC2=C1N=NN2CCOCCC(=O)NCCS(=O)(=O)O)C(=O)C(C)(C)C	PC-id_160525566	671.393	QUVNVRDDMAGNLH-QSAPEBAKSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162911
Clc1c(CS(=O)(=O)c2cc3/C(=C/c4[nH]c5CCCN(C[C@H](O)CN6CCCCC6)C(=O)c5c4C)/C(=O)Nc3cc2)c(Cl)ccc1	SCHEMBL14212195,PC-id_71099982	671.634	XDEVAXGJPJFRGE-SSHUPFPWSA-N	00000010100010110100000000001010000000000000000000000000	31-01-162912
Clc1c(CS(=O)(=O)c2cc3C(=Cc4[nH]c5CCCN(CC(O)CN6CCCCC6)C(=O)c5c4C)C(=O)Nc3cc2)c(Cl)ccc1	PC-id_78008508	671.634	XDEVAXGJPJFRGE-UHFFFAOYSA-N	00000010100010110100000000001010000000000000000000000000	31-01-162913
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CCN1CCCC1=O	ZINC22_1772713710,EMOLS-id_317481135,MCULE-1031146490,PC-id_137340504	671.743	PZAJXSGFVURUIM-LBNPDIFZSA-N	00000010100000110101000000000010000000000000000000000000	31-01-162914
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CN1CCCCC1=O	MCULE-4067823985,PC-id_137343642,EMOLS-id_317491104,ZINC22_1772714070	671.743	YNUNDBJNFWPPSH-LBNPDIFZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-162915
c1(cc2c(ccc(OC)c2)[nH]1)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	ZINC22_1772714091,EMOLS-id_317496487,MCULE-8846597197,PC-id_137342762	671.743	ZHSRJWBKKKYQMI-KPGYKUMBSA-N	00000000100000110101000001100010000000000000000000000000	31-01-162916
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)CC(=O)NC1CCCCC1	ZINC22_1772714129,EMOLS-id_317514662,MCULE-3976506193,PC-id_137339893	671.786	BDVMYCJQTXTABO-NSQMQTOTSA-N	00000000100010110101000000000010000000000000000000000000	31-01-162917
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CN1CCCCCC1	PC-id_137341648,EMOLS-id_317506981,ZINC22_1772714294,MCULE-5754672578	671.786	JUSCOERTGICYAL-LQJQRVQGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162918
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CN(C)C1CCCC1	MCULE-3659309418,PC-id_137343980,EMOLS-id_317515436,ZINC22_1772714527	671.786	VNXWJWXJCGYQEU-NSQMQTOTSA-N	00000010100000110101000000000010000000000000000000000000	31-01-162919
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(F)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19052411	671.801	JKZNVIJCIDMYTI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162920
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(F)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19052445	671.801	XYVPGHRACQCGRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162921
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(F)cccc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19052279	671.801	IJTDKTWJPBNITH-BRPDVVIDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162922
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(F)cccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73511433	671.801	IJTDKTWJPBNITH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162923
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2c(F)cccc2)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19052313	671.801	BNOHOEANSZGQHI-BRPDVVIDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162924
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(F)cccc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73511467	671.801	BNOHOEANSZGQHI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162925
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(F)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19052446	671.801	NUBAIILAIOGAQI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162926
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2c(F)cccc2)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19052314	671.801	GUOJGCUERBWYOC-BRPDVVIDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162927
CCCCCCCCCCc1cc2c(cc(c1=O)CCCCCCCCCC)nc(n2Cc1ccc(cc1)c1ccccc1C(=O)O)CCCC	PC-id_19102896,SCHEMBL9335586	693.012	XDRPBZCEOHZMQT-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-163418
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(F)cccc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73511468	671.801	GUOJGCUERBWYOC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162928
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)CCOC)n2	MCULE-8445445110,PC-id_135112741,ZINC22_1704321796,EMOLS-id_317360024	671.807	FWSFZAGBXMMCIA-VBXWPYOKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162929
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19052610	671.825	UYRDREYBTIEDJL-SLMZUGIISA-N	00000000101000110100000000000010000000000000000000000000	31-01-162930
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73511764	671.825	UYRDREYBTIEDJL-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162931
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19052611	671.825	QEQDZXFSFGZEAP-SLMZUGIISA-N	00000000101000110100000000000010000000000000000000000000	31-01-162932
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73511765	671.825	QEQDZXFSFGZEAP-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162933
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19052546	671.825	BPOLEGLNEOTPOE-IADYIPOJSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162934
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73511700	671.825	BPOLEGLNEOTPOE-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-162935
Cc1cccc(N2CCN(CC(=O)N3CC(=O)N[C@@H](Cc4ccccc4)c4nc(C)nn4CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C3)CC2)c1	EMOLS-id_317379217,PC-id_135108500,MCULE-2924467605,ZINC22_1704322956	671.832	QSWZOOLYCGQWDL-SATCGAIXSA-N	00000000100010110101100000000010000000000000000000000000	31-01-162936
c1c(O)ccc(c1)C[C@H]1C(=O)N([C@H](C(=O)N[C@H](c2scc(C(=O)N[C@@H]([C@@H](C(=O)O[C@@H](C(C)C)C(=O)N1C)C)CCC)n2)C)C(C)C)C	PC-id_10952495,SCHEMBL17866777,UNPD157502,CHEMBL446506,CMNPD12473	671.847	FRWFEXMWAJIROC-FEHSMJKKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162937
O=C1NC(CCC)C(C(=O)OC(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC(c2nc1cs2)C)C(C)C)Cc1ccc(O)cc1)C(C)C)C	CNP0184583,PC-id_73837269	671.847	FRWFEXMWAJIROC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162938
s1c2ncc1C(=O)N[C@@H]([C@@H](C(=O)O[C@@H](C(C)C)C(=O)N([C@H](C(=O)N([C@@H](C(C)C)C(=O)N[C@H]2C)C)Cc1ccc(O)cc1)C)C)CCC	PC-id_10078193	671.847	AYBVTWAWKRIFJB-QKSIVDHJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162939
s1c2nc(C(=O)NC(C(C(=O)O[C@@H](C(C)C)C(=O)N([C@H](C(=O)N([C@@H](C(C)C)C(=O)N[C@H]2C)C)Cc2ccc(O)cc2)C)C)CCC)c1	PC-id_21776536	671.847	FRWFEXMWAJIROC-HHSIREQDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162940
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)ccc1)c1ccccc1)C(=O)OCC	PC-id_19317967	671.892	DPFNLNSWPUXDDL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162941
OCCN1CCN(CC1)/C(=C/C=C(C(C)C)/Nc1cc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)/CCC	PC-id_143646214	671.935	XHPIVNBCUQCZPF-SZGPLIASSA-N	00000000100010111101100000000010000000000000000000000000	31-01-162942
CCCCCCCCCCCCCCCCCCOC1(OCCCCCCCCCCCCCCCCCC)COc2c(OC1)csc2	PC-id_101760773	693.158	POYCIJVSZODERD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163419
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCc1ccc(Cl)cc1Cl	ZINC22_408969661	672.459	RRDYPBJCIWWTGU-IZYHBKOJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162943
Brc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)CC(=O)OC	PC-id_4381834	672.588	MCNMLKBDSCRTGK-AZPGRJICSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162944
c1(SC(C)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nnc(CNC(=O)c2ccco2)n1c1ccc(cc1)Br	EMOLS-id_22701292,MCULE-5471143831,PC-id_4073872	672.613	IUXSGZAYKALQTG-UHFFFAOYSA-N	00000000101000110101100000000010000000000000000000000000	31-01-162945
CCOC(=O)c1c(NC(=O)[C@H](Sc2nnc(n2c2ccc(cc2)Br)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_99657232,CoCoCo_2662293	672.613	IUXSGZAYKALQTG-QGZVFWFLSA-N	00000000101000110101100000000010000000000000000000000000	31-01-162946
CCOC(=O)c1c(NC(=O)[C@@H](Sc2nnc(n2c2ccc(cc2)Br)CNC(=O)c2ccco2)C)sc2c1CCCCC2	PC-id_99657233,CoCoCo_2662294	672.613	IUXSGZAYKALQTG-KRWDZBQOSA-N	00000000101000110101100000000010000000000000000000000000	31-01-162947
Brc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/n(c2cc1)CCOC	PC-id_4392313	672.631	TWGUMXZNNWSMBS-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162948
Brc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)CCOCC	PC-id_4369980	672.631	CFZBYKJPIFDKCR-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-162949
COC1=C(OCc2ccc(cc2C(=O)C(C)C)COC2=C(OC)c3occc3CC(=C2C(=O)C)OC)C(=C(c2c(C1)occ2)OC)C(=O)C	PC-id_142806048	672.718	GVLZZVLPKVKYAH-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-162950
c12c(C)noc1nc(C)cc2C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	EMOLS-id_317492104,ZINC22_1772702134,PC-id_137336150,MCULE-9709650099	672.731	DSAMNVYIMIACFB-LPPUWEFUSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162951
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)Cc1onc(CCOC)n1	EMOLS-id_317499812,MCULE-3821308714,PC-id_137343226,ZINC22_1772714080	672.731	YVHBWJCDPRSNPX-FDJWOJMMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162952
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)c1ccccc1)C(=O)OCC	PC-id_18898059	672.767	HFOPUCDFPZDZFD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162953
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)c1ccccc1)C(=O)OC	PC-id_18898060	672.767	QEWZWSNIFVLUBU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162954
s1c2CCCN(Cc2cc1C(=O)NCC(=O)c1cc(OCC(=O)[O-])c(OC(C(C)(C)C)(C(C)(C)C)C(=O)[O-])cc1)C(=O)OC(C)(C)C	PC-id_21466055	672.786	CTMXLZVWQPQQFU-UHFFFAOYSA-L	00000000100000110100000000000010000000000000000000000000	31-01-162955
s1c2c(CC(NCC2)C(=O)OC(C)(C)C)cc1C(=O)NCC(=O)c1cc(OCC(=O)[O-])c(OC(C(C)(C)C)(C(C)(C)C)C(=O)[O-])cc1	PC-id_21465989	672.786	XXUVZMFVZKRMEH-UHFFFAOYSA-L	00000000100000110100000000000010000000000000000000000000	31-01-162956
s1c2c(CCCCC2)c(c1NC(=O)c1ccc(Oc2ccc(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)cc2)cc1)C(=O)OC	PC-id_3510960	672.81	UGCGLLBLRVGEIE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162957
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(CCCCC2)c1C(=O)N	PC-id_3533611	672.811	JIEYBKMJNYXVGL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-162958
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccccc1N1CCOCC1	PC-id_137344181,ZINC22_1772714334,EMOLS-id_317512357,MCULE-6879898106	672.817	MCNUNGOYUKIYLW-CPBHLAHYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-162959
C1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Nc2nc(cs2)CS1)Cc1ccc(cc1)O)Cc1ccccc1)Cc1ccccc1)C(=O)N	PC-id_136020650	672.817	JPQKLBJENGTUEP-DZUOILHNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162960
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2ccc(cc2)C#N)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	ZINC22_1772714216,EMOLS-id_317517485,MCULE-2366001526,PC-id_137344932	672.817	GAGTZZJSUIPVFX-SGQICDRISA-N	00000000100000110101000000000010000000000000000000000000	31-01-162961
Oc1ccc(cc1)N1CCN(CC1)CCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750462	672.835	OHUJJBSGCOXIAO-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-162962
s1c(C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)ccc1C(c1c2-c(c(c1)C)ccccc2)c1c2-c(c(c1)C)ccccc2	PC-id_10628257	672.918	MJANEVFGXCQIIC-UHFFFAOYSA-N	00000010100100000110000000000010000000000000000000000000	31-01-162963
Cc1c([nH]c2c1C(=O)N(CCC2)CC(CN1CCOCC1)O)C=C1c2c(ccc(c2)S(=O)(=O)Cc2c(cccc2Cl)Cl)NC1=O	PC-id_87484797,SCHEMBL3140692	673.607	SBZPUFVHIUABJW-UHFFFAOYSA-N	00000010100010110101000000001010000000000000000000000000	31-01-162964
Clc1c(CS(=O)(=O)c2cc3/C(=C/c4[nH]c5CCCN(C[C@@H](O)CN6CCOCC6)C(=O)c5c4C)/C(=O)Nc3cc2)c(Cl)ccc1	PC-id_25131606	673.607	SBZPUFVHIUABJW-QFVADWCQSA-N	00000010100010110101000000001010000000000000000000000000	31-01-162965
Clc1c(CS(=O)(=O)c2cc3C(=Cc4[nH]c5CCCN(C[C@H](O)CN6CCOCC6)C(=O)c5c4C)C(=O)Nc3cc2)c(Cl)ccc1	PC-id_68526426,SCHEMBL3140697	673.607	SBZPUFVHIUABJW-HXUWFJFHSA-N	00000010100010110101000000001010000000000000000000000000	31-01-162966
Clc1c(CS(=O)(=O)c2cc3/C(=C/c4[nH]c5CCCN(C[C@H](O)CN6CCOCC6)C(=O)c5c4C)/C(=O)Nc3cc2)c(Cl)ccc1	SCHEMBL3140674,PC-id_59250053	673.607	SBZPUFVHIUABJW-QKYYUXOMSA-N	00000010100010110101000000001010000000000000000000000000	31-01-162967
Clc1c(CS(=O)(=O)c2cc3/C(=C/c4[nH]c5CCCN(CC(O)CN6CCOCC6)C(=O)c5c4C)/C(=O)Nc3cc2)c(Cl)ccc1	PC-id_68526418,SCHEMBL3140683	673.607	SBZPUFVHIUABJW-HAHDFKILSA-N	00000010100010110101000000001010000000000000000000000000	31-01-162968
CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(CN(CCNC(=O)[C@@H](Cc3ccccc3)NC1=O)C(=O)Cn1c3ccccc3oc1=O)on2	PC-id_137339789,EMOLS-id_317497250,MCULE-1998435798,ZINC22_1772713115	673.716	DSAJXVHOKJRUQQ-NQHRYMMQSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162969
c1(C(=O)N2CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3noc(C2)c3)c2cccnc2n(Cc2ccccc2)n1	PC-id_137334622,EMOLS-id_317482121,ZINC22_1772701857,MCULE-1302326131	673.719	ANGCEAAYINOUKY-RXJAJXMTSA-N	00000000100000110101000001000010000000000000000000000000	31-01-162970
O(C(C)(C)C)C(=O)C(c1ccc2-c(c(OC(=O)OC(C)(C)C)c(N(C(=O)C)C(=O)C)c2OC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C	SCHEMBL8529376,PC-id_17776101	673.747	VHACBJTZPSXVAU-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-162971
c1(cc2CCCc2nc1OC)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	MCULE-1890530048,PC-id_137341737,EMOLS-id_317459899,ZINC22_1772714037	673.759	ZGFGVXNPZZZQAA-KPGYKUMBSA-N	00000010100000110101000000001010000000000000000000000000	31-01-162972
c1(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3noc(C2)c3)[nH]c2c(C(=O)CCC2)c1C	EMOLS-id_317502075,MCULE-3955314736,ZINC22_1772704264,PC-id_137336260	673.759	HEKKKPOZBTVQEJ-LPPUWEFUSA-N	00000000100010110101000000010010000000000000000000000000	31-01-162973
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19053137	673.865	OKSGMDCNQFECRN-DIBXZPPDSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162974
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73512291	673.865	OKSGMDCNQFECRN-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162975
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19053072	673.865	HPJPPKGDPJRAGX-USHMODERSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162976
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73512226	673.865	HPJPPKGDPJRAGX-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162977
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19053533	673.865	LKUSLOVIQHRAAW-MEFGMAGPSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162978
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73512687	673.865	LKUSLOVIQHRAAW-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162979
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19053468	673.865	BFZBNEXTOIQAQE-HFTWOUSFSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162980
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73512622	673.865	BFZBNEXTOIQAQE-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162981
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053073	673.865	XYVKEFRGTIICPO-USHMODERSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162982
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73512227	673.865	XYVKEFRGTIICPO-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162983
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053107	673.865	BGPMMKOQTDBISJ-USHMODERSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162984
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73512261	673.865	BGPMMKOQTDBISJ-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162985
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053469	673.865	JYJQAHWICNCSNX-HFTWOUSFSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162986
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73512623	673.865	JYJQAHWICNCSNX-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162987
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053503	673.865	XNEHTYOJORBGCS-HFTWOUSFSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162988
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73512657	673.865	XNEHTYOJORBGCS-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-162989
Cc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(CN(CC1)S(=O)(=O)c1ccc(cc1)C)s2)S(=O)(=O)c1ccc(cc1)C	SCHEMBL9215842,PC-id_20080250	673.886	ZCEUHKCKQLEXID-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162990
CC(N1CC(CC(c2nn(c3c2CNCCC3)CC(CC(=O)N2CCCc3c(C2)c(n[nH]3)C(C)C)C)C)Cc2c(C1)c(n[nH]2)C(C)C)(C)C	SCHEMBL19297273	673.977	PQDPHVDRFRRKBQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-162991
[S+]1=C(C=CC1=C(c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)c1c2-c(c(C(C)(C)C)c1)ccc(C(C)(C)C)cc2)C#Cc1ccccc1	PC-id_16100545	674.01	DJBNSXKDEZXLGF-UHFFFAOYSA-N	00000011100000110110000000000010000000000000000000000000	31-01-162992
Clc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)cc1	PC-id_19322248	674.229	XFBGXWKEHWUZTE-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162993
Clc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)cc1	PC-id_73601645	674.229	XFBGXWKEHWUZTE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162994
Clc1cc(/C=C(NC(=O)c2ccccc2)/C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)ccc1	PC-id_19322116	674.229	DQVFGSHXZGAHNV-USHMODERSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162995
Clc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)ccc1	PC-id_73601513	674.229	DQVFGSHXZGAHNV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162996
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)cccc1	PC-id_19321984	674.229	DOEPESJZZXDECF-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162997
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)cccc1	PC-id_73601381	674.229	DOEPESJZZXDECF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-162998
CCC(C)(C)CC1=CC=C(C=C1)CNC(=O)COC2CCCCCC3=C2N(N=N3)CCCNC(=O)C4=CC=C(C=C4)OCCC(C)(C)NC	PC-id_160620372	674.452	UDQFBJVBDLILNI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-162999
CCOC(=O)COc1c(I)cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1OC	ZINC22_408969105	674.589	HJKSMBVVFRSFFV-ATZGPIRCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163000
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCCCC2)c1C(=O)N)C(=O)N	PC-id_3532422	674.626	PQOFBBLUFILOCJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-163001
c1(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2c2ccc(cc2)Br)sc2c(CCCCC2)c1C(=O)OCC	PC-id_4457403,MCULE-9664307181,CoCoCo_2661437,EMOLS-id_22700330	674.652	UWHJDJKUNRIIDG-UHFFFAOYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-163002
O=C1CN(CN2CCOCCOCCN(CCOCCOCC2)CN2CC(=O)N(c3c(C2=O)n(C)cn3)C)C(=O)c2c(N1C)ncn2C	ChEMBL-DNDi_CHEMBL2295-0215	674.748	QYPDVJHDGUUJBD-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163003
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1c(C)ncnc1C	PC-id_137335939,ZINC22_1772701946,EMOLS-id_317514604,MCULE-7534445555	674.793	NVCJEYWXBIDNKQ-MLYIPFRESA-N	00000000100000110101000000000010000000000000000000000000	31-01-163004
s1c2CCCN(Cc2cc1C(=O)NCC(=O)c1cc(OCC(=O)OC(C)(C)C)c(OCC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C	PC-id_54456984	674.801	WYWSHCVWNCTNGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163005
s1c2CCCN(Cc2cc1C(=O)NCC(=O)c1cc(OCC(=O)O)c(OC(C(C)(C)C)(C(C)(C)C)C(=O)O)cc1)C(=O)OC(C)(C)C	PC-id_21466056	674.801	CTMXLZVWQPQQFU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163006
s1c2c(CC(NCC2)C(=O)OC(C)(C)C)cc1C(=O)NCC(=O)c1cc(OCC(=O)OC(C)(C)C)c(OCC(=O)OC(C)(C)C)cc1	PC-id_53862702	674.801	GXOSECLTRHNIEK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163007
s1c2c(CC(NCC2)C(=O)OC(C)(C)C)cc1C(=O)NCC(=O)c1cc(OCC(=O)O)c(OC(C(C)(C)C)(C(C)(C)C)C(=O)O)cc1	PC-id_21465990	674.801	XXUVZMFVZKRMEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163008
COc1ccc(COC[C@H](C)N2C[C@@H](C)[C@H](CN(C)S(=O)(=O)c3ccc(F)cc3)OCCCC[C@H](C)Oc3c(cnn3C)C2=O)cc1	CHEMBL3342227,PC-id_66571224	674.823	RJMDDZYBUXQWIH-UJFVLINRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163009
S(=O)(=O)(N(CC1OCCCCC(Oc2n(ncc2C(=O)N(CC1C)C(COCc1ccc(OC)cc1)C)C)C)C)c1ccc(F)cc1	PC-id_77144877	674.823	RJMDDZYBUXQWIH-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163010
Fc1ccc(cc1)N1CCN(CC1)CCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750461	674.826	ZVEPLIUMXPOUHB-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-163011
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)S(=O)(=O)N1CCC(CC1)COC	MCULE-8762740195,PC-id_137334861,EMOLS-id_317500547,ZINC22_1772704253	674.854	PZSQGWTVEXQRSX-OFSOJUDTSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163012
Cc1c(cccc1c1cc(Nc2ccc(cn2)N2CCN(CC2)CCS(=O)(=O)C)c(=O)n(c1)C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL1321864,PC-id_59740609	674.876	SBAWCMWTJHMKSC-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-163013
CCCCOC[C@H]1O[C@@H](c2cccc(c2)Cc2cc(c3-c2cc(ccc3)C(C)C)CC)[C@@H]([C@H]([C@@H]1OCCCC)OCCCC)OCCCC	PC-id_71219327,SCHEMBL14621546	674.992	XMUJQQOSMXBAGM-PKDXBGGPSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163014
O1C(C(OCCCC)C(OCCCC)C(OCCCC)C1c1cc(Cc2c3-c(c(c2)CC)cccc(c3)C(C)C)ccc1)COCCCC	PC-id_78039509	674.992	XMUJQQOSMXBAGM-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163015
s1c(C(c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)ccc1C#Cc1ccccc1	PC-id_16100554	675.018	KSXKLYLGZXWPAQ-UHFFFAOYSA-N	00000010100100110110000000000010000000000000000000000000	31-01-163016
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cc2c(cc(cc2)Cl)n1C	MCULE-9546029106,ZINC22_1772713093,EMOLS-id_317495461,PC-id_137341398	675.22	CNICGWDFPNGQCS-ZUKKLESISA-N	00000000100000110101000001100010000000000000000000000000	31-01-163017
Clc1c(CS(=O)(=O)C2CC=C3NC(=O)C(=Cc4[nH]c5CCCN(C[C@H](O)CN6CCOCC6)C(=O)c5c4C)C3=C2)c(Cl)ccc1	PC-id_70905767	675.622	QRPDGSOLXGHXEB-VQCQRNETSA-N	00000010100011110101000000000110000000000000000000000000	31-01-163018
Clc1c(CS(=O)(=O)C2CC=C3NC(=O)C(=Cc4[nH]c5CCCN(CC(O)CN6CCOCC6)C(=O)c5c4C)C3=C2)c(Cl)ccc1	PC-id_77950520	675.622	QRPDGSOLXGHXEB-UHFFFAOYSA-N	00000010100011110101000000000110000000000000000000000000	31-01-163019
O[C@@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1C(=O)NC2=CCC(C=C12)S(=O)(=O)Cc1c(Cl)cccc1Cl)CN1CCOCC1	SCHEMBL13449362	675.622	QRPDGSOLXGHXEB-CHJOCMBFSA-N	00000010100011110101000000000110000000000000000000000000	31-01-163020
C=CCc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(OCC)c1OCc1ccc(Cl)cc1Cl	ZINC22_408971104	675.707	MDAQLMORRMAGJP-YNPASXIJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163021
Brc1c(OCc2cc(Cl)ccc2)c(OCC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_3478084	677.006	NHHQMANSQDASQP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163052
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1cccc(c1)OCC(=O)N	PC-id_137341233,ZINC22_1772714228,MCULE-8561484534,EMOLS-id_317514408	675.731	GRYUESYBJUUDLI-SACAOSOOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163022
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)CCCOc1ccc(cc1)C(=O)N	EMOLS-id_317493664,PC-id_137345520,MCULE-8730722725,ZINC22_1772713528	675.775	OURITIOLTLPUMH-HCLMJZEPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163023
c1(c(C)cc(n(CC)c1=O)C)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	EMOLS-id_317510061,PC-id_137341480,ZINC22_1772714575,MCULE-4157165361	675.775	XTZNLHCIVJVZNF-XSBVVTFOSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163024
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(nc1)OC	PC-id_137336239,MCULE-3628101688,ZINC22_1772707094,EMOLS-id_317496957	675.778	SMDPKBXYBUJFSU-WCUBMSFQSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163025
s1cc2nc1C[C@H](OC(=O)C=CC=C(C[C@@H](OC(=O)C[C@H](NC(=O)Oc1ccccc1)C[C@@H]2C)C)C)/C=C(C)/C=C/C(=C/CN(C)C)/C	PC-id_11273912	675.877	ADUMGARFHDHSQJ-TWELFUEQSA-N	00000000100000110111000000000010000000000000000000000000	31-01-163026
s1cc2nc1CC(OC(=O)C=CC=C(CC(OC(=O)CC(NC(=O)Oc1ccccc1)CC2C)C)C)C=C(C)C=CC(=CCN(C)C)C	PC-id_72779207	675.877	ADUMGARFHDHSQJ-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-163027
N(c1ccc2-c(c(cc2C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1)(C)C	PC-id_10580379	675.947	FBPCIOKTDMINCQ-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163028
Clc1c(C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)c(c(Cl)c(Cl)c1Cl)C(=O)O	PC-id_18897728	676.415	FIPLWUIDRLTIRH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163029
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)CCNC(=O)c1ccc(cc1)F	ZINC22_1772713907,MCULE-5817833848,PC-id_137344541,EMOLS-id_317482409	676.781	WYJFGQSGHSZVLJ-NSJVFKKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163030
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1coc(CN2CCOCC2)c1	PC-id_137343271,ZINC22_1772714138,EMOLS-id_317510052,MCULE-4614187993	676.806	BOFDWLBRBQWDPS-PPTMTGTBSA-N	00000000101010110101000000000010000000000000000000000000	31-01-163031
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cncc(C)c1	EMOLS-id_317516141,PC-id_137336613,ZINC22_1772700810,MCULE-7821163527	676.806	FROGFGMSUZWYRT-XNSHOJTPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163032
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)Cc1cccnc1	PC-id_137339183,ZINC22_1772714001,EMOLS-id_317462195,MCULE-4385058342	676.806	YASRTTLUSQGPHJ-LOTJKCTMSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163033
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccccn1)n2	PC-id_135111858,EMOLS-id_317358230,ZINC22_1704322209,MCULE-7749009077	676.829	KUFWZCXOYDCYJB-XZQSQWLPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163034
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cccnc1)n2	EMOLS-id_317346452,MCULE-4791696349,ZINC22_1704321903,PC-id_135109033	676.829	HSXVYNWXQLQLJV-XZQSQWLPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163035
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccncc1)n2	EMOLS-id_317371549,ZINC22_1704322125,PC-id_135115764,MCULE-6860040746	676.829	GBCQOHAPMCMBIO-XZQSQWLPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163036
CCc1ccc(CN2CCCNC(=O)Cn3nc(Cc4ccc(OC)c(OC)c4)nc3[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CCC2)nc1	EMOLS-id_317874378,ZINC22_1772816838,MCULE-6249686619	676.849	AAVJSGHQBIEFPY-SGQICDRISA-N	00000000100000111101000000000010000000000000000000000000	31-01-163037
COc1ccc(COC[C@H](C)N2C[C@@H](C)[C@H](CN(C)S(=O)(=O)c3ccc(F)cc3)OCCCC[C@H](C)Oc3ccsc3C2=O)cc1	CHEMBL3342226,PC-id_71470601	676.859	NAZCRZKYUNFOFZ-UJFVLINRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163038
S(=O)(=O)(N(CC1OCCCCC(Oc2c(scc2)C(=O)N(CC1C)C(COCc1ccc(OC)cc1)C)C)C)c1ccc(F)cc1	PC-id_78078752	676.859	NAZCRZKYUNFOFZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163039
O=C(N1CCC(CC1)N1CCCCC1)COc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750513	676.867	DNQURGBJXUDKEX-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-163040
O=C(N1CCCCc2c1ccs2)c1ccc(c(c1)OCCCCN1CCC(CC1)N1CCCC1)NC(=O)c1ccccc1c1ccccc1	PC-id_139750471	676.91	TVELTWICNRFLGJ-UHFFFAOYSA-N	00000010100010110100100000000010000000000000000000000000	31-01-163041
CCCCOC[C@H]1O[C@@H](c2cccc(c2)CCc2cc3-c(c2C(=O)OC)ccccc3)[C@@H]([C@H]([C@@H]1OCCCC)OCCCC)OCCCC	PC-id_71219259,SCHEMBL14621399	676.922	OBSRQNVDDXKBHJ-LIHRFNLGSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163042
CCCCOC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1OCCCC)OCCCC)OCCCC)c1cc(ccc1C)Cc1cc2-c(c1C(=O)OC)ccccc2	PC-id_71219195,SCHEMBL14621250	676.922	WIRHOFGRRMXGPH-LIHRFNLGSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163043
O1C(C(OCCCC)C(OCCCC)C(OCCCC)C1c1cc(CCc2c(c3-c(c2)ccccc3)C(=O)OC)ccc1)COCCCC	PC-id_78039484	676.922	OBSRQNVDDXKBHJ-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163044
O1C(C(OCCCC)C(OCCCC)C(OCCCC)C1COCCCC)c1c(ccc(c1)Cc1c(c2-c(c1)ccccc2)C(=O)OC)C	PC-id_78039463	676.922	WIRHOFGRRMXGPH-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163045
CCCCCCCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)C(C)C	PC-id_60151226,SCHEMBL14980521	676.93	PRXVUQNAMQYCRQ-ZRWKVVCRSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163046
S(C(=O)CCCCCCCCCCCC)CCC=CC1OC(=O)C(NC(=O)C(=CC)NC(=O)c2nc(sc2)CNC(=O)C1)C(C)C	PC-id_72664708	676.93	PRXVUQNAMQYCRQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163047
CCCCOC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1OCCCC)OCCCC)OCCCC)c1cc(ccc1OCCCC)Cc1cc2-c(c1)ccccc2	SCHEMBL14351032,PC-id_71148853	676.965	OQOBQPONCLCEGB-FLOOJLJVSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163048
O1C(C(OCCCC)C(OCCCC)C(OCCCC)C1c1c(OCCCC)ccc(c1)Cc1cc2-c(c1)ccccc2)COCCCC	PC-id_78034468	676.965	OQOBQPONCLCEGB-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163049
Brc1c(OCc2ccc(Cl)cc2)c(OCC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_19659644	677.006	JKEULZBNYLSLGY-MHDJOFBISA-N	00000000100000110100000000000010000000000000000000000000	31-01-163050
Brc1c(OCc2ccc(Cl)cc2)c(OCC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_73634127	677.006	JKEULZBNYLSLGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163051
Brc1c(OCc2cc(Cl)ccc2)c(OCC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_9622452	677.006	NHHQMANSQDASQP-MHDJOFBISA-N	00000000100000110100000000000010000000000000000000000000	31-01-163053
Brc1c(OCc2c(Cl)cccc2)c(OCC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_5081536	677.006	WQACCYLALNBEDN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163054
Brc1c(OCc2c(Cl)cccc2)c(OCC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_9606822	677.006	WQACCYLALNBEDN-MHDJOFBISA-N	00000000100000110100000000000010000000000000000000000000	31-01-163055
c1(cn2c(ccc(Cl)c2)n1)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	MCULE-1723424009,PC-id_137344759,ZINC22_1772713967,EMOLS-id_317463728	677.15	XHNSJKBQIMVEQF-NIJXNBFTSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163056
c1(cn2c(nccc2)n1)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2noc(C1)c2	PC-id_137335231,EMOLS-id_317481610,MCULE-3501865945,ZINC22_1772706022	677.709	XKRXXWSARGXLBA-FDJWOJMMSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163057
c1(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)c3noc(C2)c3)cc2n(cccn2)n1	EMOLS-id_317491846,PC-id_137334853,MCULE-6961252065,ZINC22_1772704912	677.709	UOBYBBHWVDJBIH-FDJWOJMMSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163058
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(c(OC)c1OC)OC	ZINC22_1772713583,EMOLS-id_317481891,PC-id_137340866,MCULE-8091801224	677.79	MPSLEDSGLXMANK-VIZCGCQYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163059
O1C(C(OC(=O)CCC=C)C(OC(=O)CCC=C)C(OC(=O)CCc2c3-c(c(cc3)C)cc(C(C)C)cc2)C1OC)CNC(=O)CCC=C	PC-id_73049341	677.824	PNQZHXMQZBMRBN-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-163060
O1[C@@H]([C@@H](OC(=O)CCC=C)[C@H](OC(=O)CCC=C)[C@H](OC(=O)CCc2c3-c(c(cc3)C)cc(C(C)C)cc2)[C@H]1OC)CNC(=O)CCC=C	PC-id_11671995	677.824	PNQZHXMQZBMRBN-GLLYWSGOSA-N	00000010100010000110000000000010000000000000000000000000	31-01-163061
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2CCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700942,MCULE-7856170999,CoCoCo_2661822,PC-id_4054349	677.833	JGOIWTQBAIARAT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163062
c1(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2CCc2ccccc2)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661787,PC-id_4570193,EMOLS-id_22700894,MCULE-9326861539	677.833	ORVOONCLVIXUTG-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163063
CCCCS(=O)(=O)N1CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CCC1	EMOLS-id_317510012,MCULE-8927676025,ZINC22_1772703574,PC-id_137337220	677.855	YHQMQVUNGDOJBO-BURCIIJTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163064
CCC(C(c1ccc(cc1)NC1=NC(=CCC(C1=O)C)c1cccc(c1C)NC(=C)c1cc2c(s1)CCCCC2)C(=O)CC(C)C)C(C)C	PC-id_143781126	677.981	YCVAYNRTZOGYJX-UHFFFAOYSA-N	00000000100000110110100000000010000000000000000000000000	31-01-163065
Brc1c(P(c2c(Br)c3-c(c2Br)ccccc3)c2ccccc2)c(c2-c1ccccc2)Br	PC-id_102277160	677.987	ZQAGSLCLSZMKQI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163066
[Bi](c1c(Cl)c2-c(c1Cl)ccccc2)(c1c(Cl)c2-c(c1Cl)ccccc2)c1ccccc1	PC-id_86021050	678.19	BPUMVJQTHAKOLX-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163067
CC1=C(C=CC(=C1)Br)C(C2=C3CCCCCCCCCCC3=C(N2)C(=O)O)C4=C5CCCCCCCCCCC5=C(N4)C(=O)O	PC-id_155206574	678.303	YXWQSBBZVYTFIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163068
CCC1=C(C(=CC(=C1)C[C@H](C(=O)N2CCN(CC2)C3=CC=NC=C3)OCN4CCC(CC4)CCC5CCC6=CSC=C6NC5=O)Cl)N	PC-id_147524587	678.312	FLVGNBUBGAAMQC-ZBAKNJOASA-N	00000000100010111101100000000010000000000000000000000000	31-01-163069
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)c1ccc(cc1C(F)(F)F)C(F)(F)F	EMOLS-id_317470597,ZINC22_1772703969,PC-id_137337663,MCULE-3543789979	678.58	HBBAULVHMAAEFW-ZVLVQXPOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163070
c1(onc(N2CCOCC2)c1)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	PC-id_137343768,EMOLS-id_317458611,MCULE-6469988064,ZINC22_1772713763	678.735	RHYBTGJLDGNVDY-NQHRYMMQSA-N	00000000100010110101100000000010000000000000000000000000	31-01-163071
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(cc3)N(=O)=O)n2c2ccc(cc2)OCC)sc2c(CCCCC2)c1C(=O)OCC	MCULE-7404753639,EMOLS-id_24429206,PC-id_4217724,CoCoCo_2661109	678.778	SJPIVUHMTBAELV-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163072
CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c(c3)[N+](=O)[O-])n2c2ccccc2OC)sc2CCCCCc12	MCULE-2949106969,PC-id_5067365,CoCoCo_2661167,EMOLS-id_22699884	678.778	KFJULNHGRBFALI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163073
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)Cc1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947705	678.778	RXTQYEGYIXDDEC-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163074
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccc[nH]1)n2	EMOLS-id_317358747,PC-id_135108259,MCULE-4355507191,ZINC22_1704323492	678.802	QCESKUUPRUXILJ-WLEUKTLDSA-N	00000000110000110101000000000010000000000000000000000000	31-01-163075
c1cc2-c(c1)ccc(cc2)C#Cc1cc(C#Cc2ccc3-c(cc2)ccc3)c(cc1C#Cc1ccc2-c(cc1)ccc2)C#Cc1ccc2-c(cc1)ccc2	PC-id_101167447	678.816	UUJYZQVANPGBJF-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163076
c1ccc2-c(c(cc2)C#Cc2c(c(c(cc2)C#Cc2c3-c(ccccc3)cc2)C#Cc2c3-c(ccccc3)cc2)C#Cc2c3-c(ccccc3)cc2)cc1	PC-id_91281922	678.816	OUXQZBCDMDKBGG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163077
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2c3c([nH]c2)cccc3)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19054820	678.82	RMFDESGLJGIZHO-FSGOGVSDSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163078
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c3c([nH]c2)cccc3)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73513974	678.82	RMFDESGLJGIZHO-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163079
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2cccnc2OC)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	EMOLS-id_317521525,ZINC22_1772706883,MCULE-4431309380,PC-id_137335178	678.822	YHHNGXQECUEBKK-XNSHOJTPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163080
Fc1c(cccc1c1cc(Nc2ccc(cn2)N2CCN(CC2)CCS(=O)(=O)C)c(=O)n(c1)C)NC(=O)c1cc2c(s1)CCCCC2	SCHEMBL1322000,PC-id_59740573	678.84	FAUVTSNUWKDPOZ-UHFFFAOYSA-N	00000000100010111101100000000010000000000000000000000000	31-01-163081
CCCCCCCCCc1cc2c(cc(c1=O)CCCCCCCCC)nc(n2Cc1ccc(cc1)c1ccccc1C(=O)O)CCCCC	PC-id_19102874,SCHEMBL9335587	678.985	ILAQJMIXOLMNSK-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-163082
CCCCCCCCCCc1cc2c(cc(c1=O)CCCCCCCCCC)nc(n2Cc1ccc(cc1)c1ccccc1C(=O)O)CCC	PC-id_19102899,SCHEMBL9335248	678.985	IBBVZFVMTQGFPA-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-163083
CCCN(CCC)C(=O)C1=CC2=C(C=C(S2)C(=O)CC3=CN=C(C=C3)N4CCC(CC4)C(=O)NCCNC(=O)OC(C)(C)C)N=C(C1)N	PC-id_161598761	679.352	OULQOXGMIGKVGG-UHFFFAOYSA-N	00000000100010101110100000000010000000000000000000000000	31-01-163084
O=C1N(Cc2nnn(CCCCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(C(=O)NC1CC(=O)N)CC(=O)O)c2)CC(=O)N	PC-id_74820712	679.685	SOXQUTDHFUIDLZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163085
O=C1N(Cc2nnn(CCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H]1CC(=O)N)CC(=O)O)c2)CC(=O)N	PC-id_42612144	679.685	SOXQUTDHFUIDLZ-ULQDDVLXSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163086
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947697	679.723	CZRLUQQACYVRER-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163087
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1cnc[nH]1)n2	EMOLS-id_317381264,MCULE-4897596085,ZINC22_1704322094,PC-id_135108223	679.79	GRNYEQIXPCCQTM-JCISHKRCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163091
Cc1nc2n(n1)CC(=O)NCCCN(S(=O)(=O)c1ccc(c3cc[nH]n3)o1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C	ZINC22_1772713443,PC-id_137340045,EMOLS-id_317495215,MCULE-7337158734	679.79	MDNMLGPYRMVAGV-RNAHPLFWSA-N	00000000101000110101100000000010000000000000000000000000	31-01-163092
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CCOC(=O)c1c(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2c2ccccc2OC)sc2CCCCCc12	EMOLS-id_22699980,CoCoCo_2661219,PC-id_3259072,MCULE-8934945531	679.806	MDGKSKXYKRRWGK-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163094
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)CCS(=O)(=O)c1ccccc1	EMOLS-id_317459376,MCULE-1472665599,PC-id_137342183,ZINC22_1772713598	679.829	MIVXFVKGAHBTEB-NSJVFKKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163096
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccc(C)o1)n2	MCULE-8253383550,PC-id_135119625,EMOLS-id_317340077,ZINC22_1704327269	679.829	QRSQJGZOFPTXEV-XZQSQWLPSA-N	00000000101000110101000000000010000000000000000000000000	31-01-163097
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)Cc1csc(C)n1	PC-id_137342590,EMOLS-id_317510051,MCULE-4489452485,ZINC22_1772714355	679.833	NBMJCTFDUTXZHZ-UEOVABOPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163098
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1nccn1C)n2	MCULE-1536070133,ZINC22_1704322092,PC-id_135099301,EMOLS-id_317382807	679.833	GNPFSAJUGQXMQT-TYFYUWPDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163099
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1[nH]cc(C)n1)n2	MCULE-2577414333,PC-id_135110727,EMOLS-id_317329317,ZINC22_1704323882	679.833	IYJVCZQLVFKJCZ-TYFYUWPDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163100
o1c2-c(c(/C(=C/C4=CC=CC=CC4=[O+]C3=O)/c3cc(/C(=C/C5=CC=CC=CC5=[O+]C4=O)/c4c5-c(oc4=O)ccccc5)ccc3)c1=O)ccccc2	PC-id_10819746	680.657	GCGAMQAJSDVSKO-UHFFFAOYSA-N	00000011100000110110000000000110000000000000000000000000	31-01-163101
o1c2-c(c(/C(=C/C4=CC=CC=CC4=[O+]C3=O)/c3ccc(/C(=C/4C5=CC=CC=CC5=[O+]C4=O)/c4c5-c(oc4=O)ccccc5)cc3)c1=O)ccccc2	PC-id_10629752	680.657	XKOPMYXEQRMZSX-UHFFFAOYSA-N	00000011100000110110000000000110000000000000000000000000	31-01-163102
O=c1c(cc2n(c(nc2cc1C(=O)OCc1ccccc1)CCCC)Cc1ccc(cc1)c1c(cccc1)C(=O)O)C(=O)OCc1ccccc1	PC-id_19822340	680.744	BIOMHXBVKHYXOV-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-163103
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccncc1F	PC-id_137342287,EMOLS-id_317490346,MCULE-3612036272,ZINC22_1772713493	680.77	NQDAYSFHEFCXPP-WPHQEQLXSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163104
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1c(C)noc1C	ZINC22_1772702611,PC-id_137334699,MCULE-4684342292,EMOLS-id_317464692	680.794	XADCXPZVPXQKKH-OSDLZFKDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163105
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)Cc1cc(C)no1	PC-id_137335558,MCULE-8234912188,ZINC22_1772705025,EMOLS-id_317493629	680.794	JRMGSHIVIFQXIP-HUYWLDGNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163106
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1cnc(nc1C)c1cccnc1	EMOLS-id_317482868,ZINC22_1772705057,MCULE-5396489519,PC-id_137338365	680.799	WNOBGHPJAXALAT-PPTMTGTBSA-N	00000000100000111101100000000010000000000000000000000000	31-01-163107
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)C)n2	PC-id_135115962,EMOLS-id_317349009,MCULE-5191121021,ZINC22_1704323599	680.817	WUAMIAIAHKIKSZ-YMSRPXOMSA-N	00000000100000100101000001100010000000000000000000000000	31-01-163108
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)C1CCN(CC1)C(=O)COCC	MCULE-3221892331,PC-id_154568454,EMOLS-id_324151351,ZINC22_1857711078	680.837	ZUWGWGVJAWVMPY-NSJVFKKDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163109
CCCCOC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1OCCCC)OCCCC)OCCCC)c1cc(ccc1F)Cc1cc2-c(c1C(=O)OC)ccccc2	SCHEMBL14621554,PC-id_71219331	680.885	IXAIDPNJPZJAPE-CLAYRXPUSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163110
Fc1c(C2OC(C(OCCCC)C(OCCCC)C2OCCCC)COCCCC)cc(cc1)Cc1c(c2-c(c1)ccccc2)C(=O)OC	PC-id_78039511	680.885	IXAIDPNJPZJAPE-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163111
CNC1CCN(CC1)CC(CCOc1cc(ccc1NC(=O)c1ccccc1C1=CC=CCC1C)C(=O)N1CCCCc2c1ccs2)C=O	PC-id_141866472	680.899	XBRLUTWHWSAGEL-UHFFFAOYSA-N	00000000100011110100100000000010000000000000000000000000	31-01-163112
CC(C)C1C(=O)O[C@@H](CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N1)(C)C)/C=C/CCSC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C	PC-id_147233523	681.287	CJJHSWLPSFEQCJ-DFWFBCJCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163113
s1c2c(CCCCC2)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)OCCC	PC-id_3598479	681.431	UFSASOJOPHBRFJ-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-163114
s1c2c(CCCCC2)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(C)C	PC-id_4988450	681.431	HQHQVJDCNFVWQL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-163115
s1c2c(CCCCCC2)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_4414391	681.431	QEZVYDQAMWMSRT-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-163116
C[C@@H]1CC(C(C(O1)OC2[C@H](C([C@H](C(=O)OC(C(C([C@H](C3=C(C=C2O3)C)C)O)(C)C)C)C)OC4C[C@@](C([C@@H](O4)C)C)(C)OC)C)O)N(C)C	PC-id_147897706	681.445	IDQIFYFORZYYNI-PUHNYGSXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-163117
OC[C@H]1NC(=O)[C@@H](OC(=O)C(C)(C)[C@H](CCCC(Cl)(Cl)C)OC(=O)c2nc([C@@H](NC(=O)CNC1=O)C(C)C)sc2)C(O)(C)C	PC-id_101218797	681.625	KJTABRWNTJGWRB-DJABAAGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163118
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)[C@H](C)n1cnnn1	EMOLS-id_317519224,ZINC22_1772704024,PC-id_137337245,MCULE-7547805591	681.786	JNQIEVJIBPKHRH-NVHIWKGNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163119
COc1cc(c(C)cc1C)S(=O)(=O)N1CCCNC(=O)Cn2nc(C)nc2[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC1)C(C)C	PC-id_138809424,EMOLS-id_317865442,MCULE-8652769263	681.845	WVBUZZGIOLYBHI-ZUKKLESISA-N	00000000100000110101000000000010000000000000000000000000	31-01-163120
COc1cc(C)c(C)cc1S(=O)(=O)N1CCCNC(=O)Cn2nc(C)nc2[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC1	MCULE-5206264544,ZINC22_1800430759,PC-id_139598923,EMOLS-id_323889821	681.845	YMIMQGUJTRVPCJ-ZUKKLESISA-N	00000000100000110101000000000010000000000000000000000000	31-01-163121
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19053665	681.863	ZGFHGYXZSXCPGA-SWKFRHMKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163122
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19053797	681.863	VZQYLJSESYCDEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163123
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19053929	681.863	LCZDAVMFECSDCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163124
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73512819	681.863	ZGFHGYXZSXCPGA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163125
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19053600	681.863	UDAVSSYYUKEIND-VAMRJTSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163126
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19053732	681.863	LQKZMKJMLPRMGB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163127
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19053864	681.863	YUFCBRCGIGCTEH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163128
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73512754	681.863	UDAVSSYYUKEIND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163129
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19321754	681.863	BRWUYUGMEFVTHB-WMMMYUQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163130
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73601151	681.863	BRWUYUGMEFVTHB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163131
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19052708	681.863	ABZSYXSSEFKBAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163132
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053601	681.863	BJHGVYJCCZOHGK-VAMRJTSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163133
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053733	681.863	QAISGONCZVAESG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163134
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053865	681.863	LRCYJSJJUNWMOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163135
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73512755	681.863	BJHGVYJCCZOHGK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163136
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053635	681.863	WCNZKQBOGBBOTN-VAMRJTSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163137
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053767	681.863	WSBHEANIPDZVND-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163138
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053899	681.863	VQVVNRKLQDXZTD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163139
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73512789	681.863	WCNZKQBOGBBOTN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163140
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19321755	681.863	NWCUWIVUQCJOLA-WMMMYUQOSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163141
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73601152	681.863	NWCUWIVUQCJOLA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163142
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19321690	681.863	CYHDBSGRYMLIAG-SXBRIOAWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163143
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73601087	681.863	CYHDBSGRYMLIAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163144
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c1c(O)ccc(c1)C[C@H]1C(=O)N([C@H](C(=O)N[C@H](c2scc(C(=O)N[C@@H]([C@@H](C(=O)O[C@@H](C(CC)C)C(=O)N1C)C)CCC)n2)C)C(C)C)C	CMNPD12474	685.874	WTSNBJFZSIXNHV-WFAOLRBQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163264
CCC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](OC(=O)[C@H]1C)[C@H](CC)C)C)Cc1ccc(cc1)O)C)C(C)C	UNPD56236,PC-id_11050722	685.874	WTSNBJFZSIXNHV-QPJFRRSWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163265
CCC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@](OC(=O)[C@H]1C)(C)C(C)C)C)Cc1ccc(cc1)O)C)C(C)C	PC-id_102271337	685.874	KXIJKPYOULOTNZ-AHYTTWESSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163266
n1c2csc1[C@H](C)NC(=O)[C@H](C(C)C)N(C(=O)[C@@H](N(C(=O)[C@H]([C@@H](CC)C)OC(=O)[C@@H](C)[C@@H](CCC)NC2=O)C)Cc1ccc(cc1)O)C	PC-id_44559889,CHEMBL503947	685.874	WTSNBJFZSIXNHV-PRCUWLIHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163267
O=C1NC(CCC)C(C(=O)OC(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC(c2nc1cs2)C)C(C)C)Cc1ccc(O)cc1)C(C)CC)C	PC-id_73837270,CNP0300208	685.874	WTSNBJFZSIXNHV-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163268
s1c2ncc1C(=O)N[C@@H]([C@@H](C(=O)O[C@@H](C(CC)C)C(=O)N([C@H](C(=O)N([C@@H](C(C)C)C(=O)N[C@H]2C)C)Cc1ccc(O)cc1)C)C)CCC	PC-id_10259065	685.874	LOYPYGAMTRKQLI-VOZDNVFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-163269
s1c2nc(C(=O)NC(C(C(=O)O[C@@H](C(CC)C)C(=O)N([C@H](C(=O)N([C@@H](C(C)C)C(=O)N[C@H]2C)C)Cc2ccc(O)cc2)C)C)CCC)c1	PC-id_21776538	685.874	WTSNBJFZSIXNHV-CFIIKPAVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163270
CC1CCC(C1NS(=O)(=O)C2=C3CCCCCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278732	686.214	MONOXOKCWJJSDB-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-163271
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCc1ccc(Cl)cc1Cl	ZINC22_408971158	686.486	NCRWNGUFGIKNBT-SAEPALGJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163272
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2C(CN(CC2)C(=O)OC(C)(C)C)C(=O)O)cc1	PC-id_77598032	686.534	NCQUIMSGOWEYJP-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163273
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2[C@H](CN(CC2)C(=O)OC(C)(C)C)C(=O)O)cc1	PC-id_69067818	686.534	NCQUIMSGOWEYJP-GOSISDBHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163274
Ic1cc(F)c(Nc2sc3c(CC(CNC3=O)(C)C)c2C(=O)N2[C@@H](CN(CC2)C(=O)OC(C)(C)C)C(=O)O)cc1	PC-id_69069903	686.534	NCQUIMSGOWEYJP-SFHVURJKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163275
Brc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/n(c2cc1)CC(=O)OC	PC-id_4436531	686.615	SQQJEXZUDCXTJX-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-163276
Brc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)/n(c2cc1)CC(=O)OCC	PC-id_4190902	686.615	HSNSXMPCKFWIPX-PBBVDAKRSA-N	00000000100000100101000001000010000000000000000000000000	31-01-163277
Brc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/n(c2cc1)CCOCC	PC-id_4601469	686.658	OQNFCMFOADXMSQ-KDJFERLWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-163278
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)c2c(cc(cc2)C(=O)O)C(=O)O)ccc1)c1ccccc1)C(=O)OCC	PC-id_18898061	686.794	VSLYDFUJKDTQLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163279
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CC=Cc3ccc(cc3)OC)CCNC(=O)Cn1nc(C)n2	MCULE-6144112490	686.844	IUOSNMZBKPEYGN-ZHNVJZHNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163281
COc1ccc(/C=C/CN2CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)c3nc(C)nn3CC(=O)NCC2)cc1	ZINC22_1772702004,PC-id_137338233,EMOLS-id_317476470	686.844	IUOSNMZBKPEYGN-VSAVSWETSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163282
O=C(CN1CC=CC=C1)N/N=C/C1(C)CC(=C2C1=CC(=CC=C2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)C[N+](C(C)(C)C)(C)[O-]	PC-id_143208866	686.968	UCNILASDXDIHFB-LJDHXIOYSA-N	00000011100011000110000000000110000000000000000000000000	31-01-163283
Ic1ccc(c(c1)Cl)Nc1sc2c(c1C(=O)NCC1CCN(CC1)C(=O)OC(C)(C)C)CC(CNC2=O)(C)C	PC-id_69073930,SCHEMBL4512307	687.032	QUTYMDRCVNZSFK-UHFFFAOYSA-N	00000000100010110100000000000010000000000000000000000000	31-01-163284
c1(c2ccccc2Cl)noc(CCCC(=O)N2CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3noc(C2)c3)n1	PC-id_137341356,EMOLS-id_317487788,ZINC22_1772713615,MCULE-4107467851	687.143	NJCXECMIVUXORS-PERMLSPLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163285
CC1CCC(N1S(=O)(=O)NC2=C3CCCCCN3C(=C2Cl)C(=O)NC4=CC(=C(C=C4)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278824	687.209	WWYHDMNGFKDGGX-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-163286
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)CCc1ccc(c3ccc(Cl)cc3)[nH]1)CC(=O)N[C@H]2Cc1ccccc1	MCULE-6006559306,EMOLS-id_317372034,ZINC22_1704317920,PC-id_135102206	687.231	LABLJSYXOYGZDX-YYSPBGNDSA-N	00000000110000110101100000000010000000000000000000000000	31-01-163287
c1(csc(c2ncccn2)n1)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2noc(C1)c2	ZINC22_1772713931,PC-id_137340322,EMOLS-id_317497516,MCULE-7716193559	687.769	VBKMDGGYSJXAEA-AGILITTLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163288
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)CC(=O)N1C[C@@H](C)O[C@@H](C)C1	PC-id_137341115,ZINC22_1772713964,MCULE-1508065991,EMOLS-id_317486764	687.785	YRRBIKNYYTZBQZ-VFXYEVCBSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163289
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)C(C)(C)N1CCOCC1	PC-id_138809537,EMOLS-id_317865451,MCULE-1710272543	687.785	WAFVDDXBACSTOD-DOUMQJFESA-N	00000000100010110101000000000010000000000000000000000000	31-01-163290
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccccc1N1CCOCC1	EMOLS-id_317457782,MCULE-6401681096,PC-id_137334675,ZINC22_1772702880	687.785	XBECDUKHSVRBDG-SUHSUELASA-N	00000000100010110101100000000010000000000000000000000000	31-01-163291
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc(nc1)C#N	PC-id_137345700,ZINC22_1772713697,EMOLS-id_317482667,MCULE-5292699096	687.789	PMOSBRMFPKHZRH-YBBGPBPVSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163292
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(CCCCC2)c1C(=O)OC	PC-id_3325470	687.823	ZTSFNKUJIYDHQB-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-163293
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2ccn3nccc3c2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	MCULE-2257981201,ZINC22_1772707276,EMOLS-id_317497712,PC-id_137338038	687.832	UNLSIEHPPIAPPJ-SGQICDRISA-N	00000000100000110101000001000010000000000000000000000000	31-01-163294
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19053138	687.891	FFWQHTMISKQGRA-RRAHZORUSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163295
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73512292	687.891	FFWQHTMISKQGRA-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163296
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19053534	687.891	HVNBARQUTRHZGC-SLMZUGIISA-N	00000000100100110100000000000010000000000000000000000000	31-01-163297
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73512688	687.891	HVNBARQUTRHZGC-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163298
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19053139	687.891	ZHNXVYOPXAURCV-RRAHZORUSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163299
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73512293	687.891	ZHNXVYOPXAURCV-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163300
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19053074	687.891	MMNBVEIVGGDSES-BRPDVVIDSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163301
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73512228	687.891	MMNBVEIVGGDSES-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163302
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19053535	687.891	AEUAJQYSDDYKAB-SLMZUGIISA-N	00000000100100110100000000000010000000000000000000000000	31-01-163303
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73512689	687.891	AEUAJQYSDDYKAB-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163304
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19053470	687.891	DRCYLICYTFGIRR-IADYIPOJSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163305
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73512624	687.891	DRCYLICYTFGIRR-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163306
NCCCOCCOCCOCCCNC(=O)CCCC(=O)N1CCc2c(CC(C1)OC)nnn2CC(COCC(CN)(C)C)(S)C	PC-id_144079430	687.934	BPWDVVFHANGCNS-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163307
c12cc(on1)CN(CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(C)C)C(=O)C1CCN(CC1)C(=O)c1ccccc1Cl	ZINC22_1772700972,MCULE-4785555033,EMOLS-id_317512316,PC-id_137337287	688.171	HNWPXAUDCPSZCU-ORSSICPCSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163308
CC1CCC(N1S(=O)(=O)C2=C3C=CCCCN3C(=C2Cl)C(=O)NC4=CC(=C(C(=C4)F)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278765	688.173	ADZNDCFUZXBAIN-UHFFFAOYSA-N	00000010100000110111100000000010000000000000000000000000	31-01-163309
Clc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)cc1	PC-id_19322215	688.255	MQLVCPSDWAAEDK-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163310
Clc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)cc1	PC-id_19322249	688.255	KGQJOSXMHHCYRJ-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163311
Clc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)cc1	PC-id_73601612	688.255	MQLVCPSDWAAEDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163312
Clc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)cc1	PC-id_73601646	688.255	KGQJOSXMHHCYRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163313
Clc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)cc1	PC-id_19322250	688.255	HDUXJWRBNISGMG-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163314
Clc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)cc1	PC-id_73601647	688.255	HDUXJWRBNISGMG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163315
Clc1cc(/C=C(NC(=O)c2ccccc2)/C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)ccc1	PC-id_19322083	688.255	ZQIGYTPDMHARJJ-BRPDVVIDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163316
Clc1cc(/C=C(NC(=O)c2ccccc2)/C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)ccc1	PC-id_19322117	688.255	JCODTFVMQQGTLB-BRPDVVIDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163317
Clc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)ccc1	PC-id_73601480	688.255	ZQIGYTPDMHARJJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163318
Clc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)ccc1	PC-id_73601514	688.255	JCODTFVMQQGTLB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163319
Clc1cc(/C=C(NC(=O)c2ccccc2)/C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)ccc1	PC-id_19322118	688.255	MYQCGLRNKCVAFP-BRPDVVIDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163320
Clc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)ccc1	PC-id_73601515	688.255	MYQCGLRNKCVAFP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163321
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)cccc1	PC-id_19321951	688.255	CABZILCABLNOSB-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163322
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_19321985	688.255	FKRQPOHTZCUZSQ-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163323
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)cccc1	PC-id_73601348	688.255	CABZILCABLNOSB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163324
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_73601382	688.255	FKRQPOHTZCUZSQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163325
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)cccc1	PC-id_19321986	688.255	VPCGDMCLUYMPDG-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163326
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)cccc1	PC-id_73601383	688.255	VPCGDMCLUYMPDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163327
CCOC(=O)COc1c(I)cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc1OCC	ZINC22_408969336	688.616	MCLPZJNHSDSYOC-FABQOPTDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163328
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)CCc1[nH]c2c(cc(cc2)F)n1	EMOLS-id_317511803,ZINC22_1772700957,MCULE-7982039515,PC-id_137337207	688.748	HFIQYMQZMIFZME-KPGYKUMBSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163329
C1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Nc2nc(cs2)CS1)Cc1ccc(cc1)O)Cc1ccccc1)Cc1ccc(cc1)O)C(=O)N	PC-id_136020662	688.816	PBEJREBPOVFUDS-DZUOILHNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163330
C1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Nc2nc(cs2)CS1)Cc1ccc(cc1)O)Cc1ccc(cc1)O)Cc1ccccc1)C(=O)N	PC-id_136020661	688.816	LBDJPYGUCWBZGO-DZUOILHNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163331
N#CC(c1ccc(cc1)C(c1ccc2-c1ccccc2)c1cc(c2-c1ccccc2)C(c1ccc2-c1ccccc2)c1ccc(cc1)C(C#N)C#N)C#N	PC-id_102462733	688.816	BGUVPSPUGHKYPM-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163332
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(CN2CCC(CC2)C)o1	ZINC22_1772714041,EMOLS-id_317504418,PC-id_137344624,MCULE-6867840663	688.859	XKRQZAITLLGCOJ-HKFHRXRESA-N	00000000101010110101000000000010000000000000000000000000	31-01-163333
O=C1N[C@@H](CCCCNC(=O)CCCCCCc2[nH]cc(C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCN(C)C)c2)C(=O)C(=O)NC(C)C	PC-id_73056896	688.901	JAXUDURJUNWXDB-AWCRTANDSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163334
Cc1c2-c(c(cc2C=Cc2cc(c3-c2c(ccc(c3)C(C)C)C)C=[N+](C(C)(C)CCC(=O)C)[O-])C=[N+](C(C)(C)CCC=O)[O-])cc(cc1)C(C)C	PC-id_88955533	688.937	RHCNUUXCOYNIFV-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-163335
O=CCCC(/[N+](=C/c1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(CCC(=O)C)(C)C)[O-])/[O-])(C)C	SCHEMBL12743848	688.937	RHCNUUXCOYNIFV-IKCHKTEZSA-N	00000010100000000110000000000010000000000000000000000000	31-01-163336
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CCn1cc(cn1)Cl	ZINC22_1772702688,EMOLS-id_317481328,PC-id_137335114,MCULE-8506503156	689.161	LEOJOTXKNLYXHT-ZGOJTZKKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163337
BrCC(=O)C(O)(C1=CC(=O)NC(c2scc(n2)C=CC=CC(OCc2ccc(OC)cc2)C(OCOC)C=C(CC1)C)C)C	PC-id_73114385	689.657	QDJXHECIWBWSIF-UHFFFAOYSA-N	00000000100000110111000000000010000000000000000000000000	31-01-163338
BrCC(=O)[C@](O)(/C/1=C/C(=O)N[C@@H](c2scc(n2)C=CC=C[C@H](OCc2ccc(OC)cc2)[C@H](OCOC)/C=C(/CC1)C)C)C	PC-id_11814470	689.657	QDJXHECIWBWSIF-VPPCZIQFSA-N	00000000100000110111000000000010000000000000000000000000	31-01-163339
BrCC(=O)[C@](O)(C1=CC(=O)N[C@@H](c2scc(n2)C=CC=C[C@H](OCc2ccc(OC)cc2)[C@H](OCOC)/C=C(/CC1)C)C)C	PC-id_23281673	689.657	QDJXHECIWBWSIF-LJRIHNQMSA-N	00000000100000110111000000000010000000000000000000000000	31-01-163340
O=S(=O)(C(F)(F)F)c1cc(ccc1N[C@@H](CSc1ccccc1)CCN1CCOCC1)S(=O)(=O)Nc1nnc2n1CCNCC2	SCHEMBL9951668,PC-id_67981006	689.793	WCPSYNKTIQZHIB-HXUWFJFHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163341
S(=O)(=O)(Nc1n2CCNCCc2nn1)c1cc(S(=O)(=O)C(F)(F)F)c(NC(CCN2CCOCC2)CSc2ccccc2)cc1	PC-id_77391418	689.793	WCPSYNKTIQZHIB-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163342
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1ccn(c(=O)c1)CC	MCULE-5708791642,EMOLS-id_317486511,PC-id_137342962,ZINC22_1772713953	689.804	YNPFPAYINKAURX-HJASLDBZSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163343
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)CCn1ccccc1=O	MCULE-6998952197,EMOLS-id_317498530,PC-id_137341836,ZINC22_1772714117	689.804	ZQGGNPXJUMJCNQ-YWFNMOQXSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163344
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccccc1)n2	EMOLS-id_317383574,ZINC22_1704323425,PC-id_135098533,MCULE-4879030253	689.824	VWPWLHCDAKOULJ-XZQSQWLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163345
CC(C)[C@H]1CN(CC(=O)N[C@@H](Cc2ccccc2)c2nc(C)nn2CC(=O)N[C@H](C)C(=O)N1)S(=O)(=O)c1c(C)nn(c1C)c1ccccc1	MCULE-9440606612,EMOLS-id_317339044,PC-id_135118747	689.828	HRVBTQVVNKDWPN-LDVROUIZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163346
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccc(cc1)C)n2	EMOLS-id_317386395,ZINC22_1704322171,MCULE-2110639448,PC-id_135109082	689.867	JPNSTZPWAFHIBE-ZJEFRKGSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163347
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cccc(C)c1)n2	MCULE-6060994224,PC-id_135115491,ZINC22_1704321356,EMOLS-id_317334933	689.867	KGQOSFCZGZCVRB-ZJEFRKGSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163348
SC/C(=CC=C(N1CCN(CC1)C(C)C)/N)/N/C(=C/C(=CC)/c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)/C(=O)C(CC)C	PC-id_143646220	690.016	QSULHXQSPIMGMX-DYQUQDASSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163349
CC1CCC(N1S(=O)(=O)C2=C3CCCCCN3C(=C2Cl)C(=O)NC4=CC(=C(C(=C4)F)F)F)CC(C)(C5=NOC(=C5)C6=CC=CC=C6)O	PC-id_155278848	690.189	DCUDZGWOZKQKPN-UHFFFAOYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-163350
Clc1c(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)c(c(Cl)c(Cl)c1Cl)C(=O)O	PC-id_18897695	690.442	SHBTYKNMSQCBHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163351
Clc1c(C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)c(c(Cl)c(Cl)c1Cl)C(=O)O	PC-id_18897729	690.442	OQIVZBOJEQNUII-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163352
Clc1c(C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)c(c(Cl)c(Cl)c1Cl)C(=O)O	PC-id_18897730	690.442	UCEJCONKMAGTQZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163353
Cc1cc2-c(c1S(=O)(=O)O[Al](OS(=O)(=O)c1c(C)cc3-c1ccccc3)OS(=O)(=O)c1c(C)cc3-c1ccccc3)ccccc2	PC-id_141549266	690.739	RWZBAEKVCJHFKA-UHFFFAOYSA-K	00000010100000000110000000000010000000000000000000000000	31-01-163354
Cc1cc(c2-c1ccccc2)S(=O)(=O)O[Al](OS(=O)(=O)c1cc(c2-c1ccccc2)C)OS(=O)(=O)c1cc(c2-c1ccccc2)C	PC-id_141549268	690.739	RUMIGLAYHHUAOA-UHFFFAOYSA-K	00000010100000000110000000000010000000000000000000000000	31-01-163355
c12c(oc(/C=C(CC[C@@H](O)[C@@H]([C@H]([C@@H](OC(=O)/C=CC=C
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CCCCCCCC(=O)OCCC/C(=C[C@@H]([C@@H]1OC(=O)/C=CC=Cc2nc(/C=C(/CC[C@H]([C@@H]([C@H]1OC(=O)NC(=O)C)O)O)C)oc2C)O)/O	PC-id_101508356	690.778	NAXRLUGGZGBJTJ-ZJIGNTONSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163357
CCCCCCCC(=O)OCC[C@H](/C=C/[C@@H]([C@@H]1OC(=O)/C=CC=Cc2nc(/C=C(CC[C@H]([C@H]([C@H]1OC(=O)NC(=O)C)O)O)/C)oc2C)O)O	UNPD101613	690.778	XUOJLRAJYJTWPG-HOKQIJCHSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163358
O=C1OC(C(O)/C=C/C(O)CCOC(=O)CCCCCCC)C(OC(=O)NC(=O)C)C(O)C(O)CC/C(=C/c2nc(/C=C/C=C
)c(o2)C)/C	CNP0233612	690.778	XUOJLRAJYJTWPG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163359
C1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Nc2nc(cs2)CS1)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)C(=O)N	PC-id_136748872	690.794	KLCDKTZDUVZTIG-MUGJNUQGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163360
C1[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](Nc2nc(cs2)CS1)Cc1ccccc1)CCCN=C(N)N)CC(=O)O)C(=O)N	PC-id_136748874	690.794	BVIBYCOSHKXMSH-MUGJNUQGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163361
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccccn1)n2	PC-id_135087307,ZINC22_1704337165,EMOLS-id_317342924,MCULE-2054381626	690.812	NYKIOPZYDVNTPM-SVAWTBLWSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163362
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1cccnc1)n2	EMOLS-id_317354140,ZINC22_1704323699,MCULE-8370314334,PC-id_135097311	690.812	XYIUAIXBGNKSTE-SVAWTBLWSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163363
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccncc1)n2	EMOLS-id_317358987,PC-id_135091664,ZINC22_1704316667,MCULE-1802475723	690.812	ZJZYXHIKNWUZRS-SVAWTBLWSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163364
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cn2c(scc2)n1	EMOLS-id_317492394,MCULE-8230417846,PC-id_137342514,ZINC22_1772713727	690.816	RBICBZGFCYHQPW-YBZFOXLFSA-N	00000000100000110101000100000010000000000000000000000000	31-01-163365
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)CCc1cccnc1	EMOLS-id_317481869,ZINC22_1772704645,PC-id_137337756,MCULE-9651152018	690.832	OKMAWLSSTCMVHO-SGQICDRISA-N	00000000100000111101000000000010000000000000000000000000	31-01-163366
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cn(nc1C)CCC	MCULE-6880558125,ZINC22_1772713850,PC-id_137344510,EMOLS-id_317461680	690.836	UGJFUWLZBPTZLN-UTVTVZQCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163367
O=C1N[C@@H](CCCCNC(=O)CCCCCCn2nnc(C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCCN(C)C)c2)C(=O)C(=O)NC(C)C	PC-id_73213698	690.877	UQBWLECUBTUNOS-GSDHBNRESA-N	00000000100000000101000000000010000000000000000000000000	31-01-163368
O=C(N1CCC(CC1)N1CCCC1)CCCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750494	690.893	ROCXFXUQLVXEAT-UHFFFAOYSA-N	00000010100010110100100000000010000000000000000000000000	31-01-163369
COC(=O)c1ccc(cc1)[C@H]([C@@H](c1cc(c2-c1c(C)ccc(c2)C(C)C)C)c1ccc(cc1)C(=O)OC)c1cc(c2-c1c(C)ccc(c2)C(C)C)C	PC-id_102352764	690.908	KFJVVRQTDWUWAP-QWKHHPMFSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163370
Cc1c2-c(c(cc2C=Cc2cc(c3-c2c(ccc(c3)C(C)C)C)C=[N+](C(C)(C)CCC(=O)O)[O-])C=[N+](C(C)(C)CCC=O)[O-])cc(cc1)C(C)C	PC-id_88955520	690.91	BLSFRSGPKHRZTM-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-163373
O=CCCC(/[N+](=C/c1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/C(CCC(=O)O)(C)C)[O-])/[O-])(C)C	SCHEMBL12743801	690.91	BLSFRSGPKHRZTM-OOTZUBJWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-163374
CCCCOC[C@H]1OC(O)(c2cccc(c2)Cc2cc(c3-c2cc(ccc3)C(C)C)CC)[C@@H]([C@H]([C@@H]1OCCCC)OCCCC)OCCCC	PC-id_71219270,SCHEMBL14621427	690.991	HXSKFKNFSDQMBL-AIGROGGJSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163375
O1C(O)(C(OCCCC)C(OCCCC)C(OCCCC)C1COCCCC)c1cc(Cc2c3-c(c(c2)CC)cccc(c3)C(C)C)ccc1	PC-id_78039489	690.991	HXSKFKNFSDQMBL-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163376
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)S(=O)(=O)c1cccc(c1)C(F)(F)F	ZINC22_1772714466,PC-id_137343026,MCULE-3427245087,EMOLS-id_317512611	691.764	RWXBKKLMIJNRHR-UHSQPCAPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163377
CCc1nn2c(nc(CN3CCNC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c4cc(C3)on4)cc2=O)s1	MCULE-1091157848,EMOLS-id_317515173,ZINC22_1772714316,PC-id_137339376	691.8	KYVXXONTXOMCKH-NIJXNBFTSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163378
c1(C(=O)N2CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](c3nc(Cc4ccc(c(OC)c4)OC)nn3CC(=O)NCCC2)C)c2CCCc2[nH]n1	ZINC22_1772817470,MCULE-7890154860,EMOLS-id_317881806	691.82	MRIDGPFFPXDISR-WPHQEQLXSA-N	00000010100000110101000010000010000000000000000000000000	31-01-163379
c1c(O)ccc(c1)C[C@H]1C(=O)N([C@H](C(=O)N[C@H](c2nc(C(=O)N[C@@H]([C@H](C(=O)O[C@H](C(=O)N1C)C)C)CCC)cs2)C)Cc1ccccc1)C	CHEMBL451852,UNPD95536,PC-id_10941492,SCHEMBL16431240,CMNPD12472	691.837	PETFICLABWDIHU-OTYHWCEUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163380
CCC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@@H](N(C(=O)C(N(C(=O)[C@@H](OC(=O)[C@@H]1C)C)C)Cc1ccc(cc1)O)C)Cc1ccccc1	PC-id_139588607	691.837	PETFICLABWDIHU-OVYCRQNXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163381
O=C1OC(C(=O)N(C)C(C(=O)N(C)C(C(=O)NC(c2nc(cs2)C(=O)NC(CCC)C1C)C)Cc1ccccc1)Cc1ccc(O)cc1)C	CNP0330881,PC-id_73837268	691.837	PETFICLABWDIHU-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163382
s1c2ncc1C(=O)NC(C(C)C(=O)OC(C(=O)N(C(Cc1ccc(O)cc1)C(=O)N(C(Cc1ccccc1)C(=O)NC2C)C)C)C)CCC	PC-id_85143577	691.837	TZIQQGUGBJRSCD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163383
s1c2ncc1C(=O)N[C@@H]([C@@H](C)C(=O)O[C@H](C(=O)N([C@@H](Cc1ccc(O)cc1)C(=O)N([C@@H](Cc1ccccc1)C(=O)N[C@H]2C)C)C)C)CCC	PC-id_10439646	691.837	TZIQQGUGBJRSCD-RUXAKCADSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163384
s1c2nc(C(=O)NC([C@@H](C)C(=O)O[C@H](C(=O)N([C@@H](Cc3ccc(O)cc3)C(=O)N([C@@H](Cc3ccccc3)C(=O)N[C@H]2C)C)C)C)CCC)c1	PC-id_21776535	691.837	PETFICLABWDIHU-WBGCXALBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163385
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cccc(O)c1)n2	ZINC22_1704318519,MCULE-7705302912,PC-id_135106575,EMOLS-id_317365135	691.84	OYOSVQGNQGWBLL-NBTXWSPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163386
O=C(c1ccc(o1)C(=O)O[In]1OC(=O)c2ccc(C(=O)O1)o2)O[In]1OC(=O)c2ccc(C(=O)O1)o2	PC-id_141332608	691.867	OCGVPHMUHWJCPQ-UHFFFAOYSA-H	00000000101000000101000000000010000000000000000000000000	31-01-163387
COC1CC(O)/C=CC=C/C=CC(C)C(OC(=O)/C=CC=C/C=CC(=C/C(C(/C=CC=Cc2nc(C1C)oc2)O)C)C)C(C(CC(O)C)O)C	PC-id_101715138	691.893	ATQKOUYCGKRYRF-RJFSDFFJSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163388
COC1CC(O)/C=C/C=C/C=CC(C)C(OC(=O)/C=CC=CC=C/C(=C/C(C)C(O)/C=CC=Cc2coc(n2)C1C)/C)C(C)C(O)CC(C)O	BindingDB-id_455158,SCHEMBL1889389,BindingDB_PC-id_10818425,CHEBI:80062	691.893	ATQKOUYCGKRYRF-GDDXYXLTSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163389
CO[C@@H]1C[C@@H](O)/C=C/C=C/C=C[C@H](C)[C@@H]([C@@H](C)[C@@H](O)C[C@@H](C)O)OC(=O)/C=CC=CC=C/C(=C/[C@@H](C)[C@@H](O)/C=CC=Cc2coc(n2)[C@@H]1C)/C	CHEMBL4552633	691.893	ATQKOUYCGKRYRF-FIEVXVAVSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163390
CO[C@@H]1C[C@@H](O)/C=CC=C/C=C[C@H](C)[C@H](OC(=O)/C=CC=C/C=CC(=C/[C@H]([C@H](/C=CC=C/c2nc([C@@H]1C)oc2)O)C)C)[C@H]([C@H](C[C@H](O)C)O)C	PC-id_102050233	691.893	ATQKOUYCGKRYRF-SNEBSBSCSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163391
CO[C@H]1C[C@H](O)/C=C/C=C/C=C[C@H](C)[C@@H](OC(=O)/C=CC=CC=C/C(=C/[C@H]([C@@H](/C=CC=Cc2nc([C@@H]1C)oc2)O)C)/C)[C@@H]([C@@H](C[C@@H](O)C)O)C	UNPD37999	691.893	ATQKOUYCGKRYRF-BAIVMGPBSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163392
O1C(C(C(O)CC(O)C)C)C(C)C=CC=CC=CC(O)CC(OC)C(C)c2occ(n2)/C=C/C=CC(O)C(/C=C(/C=CC=CC=CC1=O)C)C	PC-id_10818425	691.893	ATQKOUYCGKRYRF-LETFQSTMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163393
O1C(C(C(O)CC(O)C)C)C(C)C=CC=CC=CC(O)CC(OC)C(C)c2occ(n2)C=CC=CC(O)C(/C=C(C=CC=CC=CC1=O)/C)C	PC-id_23228544	691.893	ATQKOUYCGKRYRF-CVPJDAHPSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163394
O1[C@H]([C@H]([C@@H](O)C[C@H](O)C)C)[C@@H](C)C=CC=CC=C[C@H](O)C[C@@H](OC)[C@@H](C)c2occ(n2)/C=C/C=C[C@H](O)[C@@H](/C=C(/C=CC=CC=CC1=O)C)C	PC-id_49831774	691.893	ATQKOUYCGKRYRF-CYAPEHEQSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163395
O=C1OC(C(/C=C/C=C/C=C/C(O)CC(OC)C(c2nc(co2)/C=CC=CC(O)C(/C=C(C=CC=CC=C
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CC[C@H](C)[C@@H]1NC(=O)CCCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	ZINC22_1772706789,MCULE-8997449148,PC-id_137337045,EMOLS-id_317502076	691.903	RJQCDNRRWYINGX-XZZGRGQSSA-N	00001000100011110101001000000010000000000000000000000000	31-01-163397
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)c(F)ccc1	PC-id_19321852	692.219	WRPHOSBWOJQZFC-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163398
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)c(F)ccc1	PC-id_73601249	692.219	WRPHOSBWOJQZFC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163399
CN(C)C1CCN(CC1)CC2=CC(=CC(=C2)CCCCC(=O)C3=CSC4=C3CCC(CC4)CCC(=O)C5=CN=C6N5C=CC=C6)C(F)(F)F	PC-id_165143323	692.337	XDEPGFQJZIKBTE-UHFFFAOYSA-N	00000000100010110101000001000010000000000000000000000000	31-01-163400
Cc1nc2n(n1)CC(=O)NCCCN(S(=O)(=O)c1cccnc1C(F)(F)F)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C	PC-id_137336428,EMOLS-id_317475444,MCULE-4447542962,ZINC22_1772704337	692.752	SWNBXXLODQSKGV-KCWPFWIISA-N	00000000100000111101000000000010000000000000000000000000	31-01-163401
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc(C)nc1O	MCULE-9239505780,ZINC22_1772713062,EMOLS-id_317489832,PC-id_137340901	692.805	BEHRCUGWJGHLFY-JYTFDMTESA-N	00000000100000111101000000000010000000000000000000000000	31-01-163402
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc(=O)n(C)c1	MCULE-7432492731,PC-id_137338563,ZINC22_1772713078,EMOLS-id_317493933	692.805	BZALIWQBMTZMGE-YBBGPBPVSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163403
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccnc(OC)c1	ZINC22_1772703669,MCULE-8127262097,PC-id_137334785,EMOLS-id_317521524	692.805	HTXMVZSCGKVTJT-YBBGPBPVSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163404
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c3c([nH]c2)cccc3)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19054787	692.846	ACUYHLPYQKNQBV-GTWSWNCMSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163405
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c3c([nH]c2)cccc3)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73513941	692.846	ACUYHLPYQKNQBV-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163406
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2c3c([nH]c2)cccc3)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19054821	692.846	IIHZPRAFIDUDCO-GTWSWNCMSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163407
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c3c([nH]c2)cccc3)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73513975	692.846	IIHZPRAFIDUDCO-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163408
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2c3c([nH]c2)cccc3)/NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19054822	692.846	ZMNHNWWYKAFPCB-GTWSWNCMSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163409
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c3c([nH]c2)cccc3)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_73513976	692.846	ZMNHNWWYKAFPCB-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163410
CCN(CC)C1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc34)ccc2NC(=O)c2ccccc2c2ccccc2)CC1	PC-id_11158261,BindingDB_PC-id_11158261,CHEMBL367323	692.909	GNBCBCRWRBTDTP-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-163411
CCCCOC[C@H]1O[C@@H](c2ccc(c(c2)Cc2cc3-c(c2C(=O)OC)ccccc3)OC)[C@@H]([C@H]([C@@H]1OCCCC)OCCCC)OCCCC	PC-id_71219455,SCHEMBL14621972	692.921	SQQUPJYRYQCSNL-LIHRFNLGSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163412
O1C(C(OCCCC)C(OCCCC)C(OCCCC)C1c1cc(c(OC)cc1)Cc1c(c2-c(c1)ccccc2)C(=O)OC)COCCCC	PC-id_78039563	692.921	SQQUPJYRYQCSNL-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163413
CCCCOC[C@H]1OC(O)([C@@H]([C@H]([C@@H]1OCCCC)OCCCC)OCCCC)c1cc(ccc1OCCCC)Cc1cc2-c(c1)ccccc2	PC-id_71148851,SCHEMBL14351029	692.964	XVUHQHLNBWPLBD-MHAIQGTRSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163414
O1C(O)(C(OCCCC)C(OCCCC)C(OCCCC)C1COCCCC)c1c(OCCCC)ccc(c1)Cc1cc2-c(c1)ccccc2	PC-id_78034467	692.964	XVUHQHLNBWPLBD-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163415
CCCn1nc(c2c1C(=C(CCC2)C=NC(=C)CCCc1ccc(cc1OC)N1CCC(CC1)N(C)C)C)C(=O)Nc1c(CC)cccc1CC	PC-id_144418646	692.976	HNOLBBDXSBNWEB-UHFFFAOYSA-N	00000000100010110111100000000010000000000000000000000000	31-01-163416
CCCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCCCCCCC)CCCCCCCCC	SCHEMBL9335583,PC-id_19102927	693.012	OJCLTXMKVFBAEG-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-163417
Clc1cc(CC2NC(=O)C=CCC(OC(=O)C(OC(=O)C(Cn3nnc2c3)(C)C)CC(C)C)C(C2OC2c2ccccc2)C)ccc1OC	PC-id_75096626	693.229	HSIAGSWRSSJTJC-UHFFFAOYSA-N	00100000100000110111100000000010000000000000000000000000	31-01-163420
Clc1cc(C[C@H]2NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC(=O)C(Cn3nnc2c3)(C)C)CC(C)C)[C@@H]([C@H]2O[C@@H]2c2ccccc2)C)ccc1OC	PC-id_45139322	693.229	HSIAGSWRSSJTJC-HOFMPKDDSA-N	00100000100000110111100000000010000000000000000000000000	31-01-163421
c1(csc(c2ccc(cc2)C(F)(F)F)n1)C(=O)N1CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2noc(C1)c2	EMOLS-id_317512621,PC-id_137341911,ZINC22_1772714146,MCULE-6438978065	693.694	BZOYFEWCMWMEAJ-IAAUVJCUSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163422
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(c3)N(=O)=O)C)n2c2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	CoCoCo_2661161,MCULE-2401564084,PC-id_3553268,EMOLS-id_22699874	693.75	SUVUMOOZSXYPNN-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163423
c1(C(=O)N[C@H]2C[C@@H]3N(C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(C)C)NC(=O)CN(C)C(=O)[C@H](CO)NC3=O)C2)nnc2CCCCCn12	EMOLS-id_289989606,MCULE-3344813283	693.793	FFBVNZNABGGTSV-LROMGURASA-N	00000010100000110101000000000110000000000000000000000000	31-01-163424
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)Cc1cccc(F)c1	EMOLS-id_317462967,ZINC22_1772713973,PC-id_137342014,MCULE-3138792873	693.808	XINCBILEZSVMIF-KZFQQWRHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163425
s1c2c(CCCCC2)c(c1NC(=O)CS(=O)(=O)CC(=O)/N=c
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c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cccc(F)c1)n2	EMOLS-id_317336224,MCULE-7356613044,PC-id_135118107,ZINC22_1704324823	693.831	VGSMTFZVXIJPKP-NBTXWSPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163427
CC(C[C@@H]1NC(=O)c2coc(n2)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](NC1=O)[C@@H](c1ccccc1)OCc1ccccc1)Cc1ccccc1)C	PC-id_101571032	693.831	HNNCMDSUJXMQQO-KMEHFLBQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163428
c1(NC(=O)CSc2nnc(CNC(=O)c3ccc(c(OC)c3)OC)n2c2ccc(cc2)OCC)sc2c(CCCCC2)c1C(=O)OCC	EMOLS-id_22700664,PC-id_4147588,CoCoCo_2661649,MCULE-2643350820	693.833	HZOAQEPPCZHRMI-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163429
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)C1CCN(CC1)C(=O)C	ZINC22_1772706922,PC-id_137337293,MCULE-8377767601,EMOLS-id_317521272	693.836	YKBPGEMTHLEGMV-MWFUSFPTSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163430
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)CCn1cc(C)cn1	PC-id_137342358,ZINC22_1772714556,MCULE-2674547167,EMOLS-id_317508262	693.836	WYEODUWPILLCMQ-DVIHYUSWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163431
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccn(CC)n1)n2	EMOLS-id_317387414,PC-id_135113167,ZINC22_1704321893,MCULE-7034425977	693.859	CYLFIJXUGHYHRJ-XZQSQWLPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163432
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1nccn1CC)n2	ZINC22_1704319265,EMOLS-id_317365640,PC-id_135102417,MCULE-5212289045	693.859	UPCYXHLZIWBXCD-QDFXYHSTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163433
CCN1CCN(CC1)C(=O)C(c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)N1CCC1	SCHEMBL1203830,PC-id_57625154	693.901	SIWYZSZQIDXRFD-UHFFFAOYSA-N	00001000100010110101100000000010000000000000000000000000	31-01-163434
Brc1c2-c(c(c1P(=O)(c1c(Br)c3-c(c1Br)ccccc3)c1ccccc1)Br)ccccc2	PC-id_102085801	693.986	OQAUJPDRRMIGFU-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163435
CCOc1c(OCC)cc(cc1[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)Cc1cc2-c(c1C(=O)OC)ccccc2	SCHEMBL14590134,PC-id_58786149	694.722	ODUAAQPMHGSQMU-LSSPBLELSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163436
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C)c1c(OCC)c(OCC)cc(c1)Cc1c(c2-c(c1)ccccc2)C(=O)OC	PC-id_72423638	694.722	ODUAAQPMHGSQMU-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-163437
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)Cc1cccc(F)c1F	ZINC22_1772714106,PC-id_137341613,EMOLS-id_317500577,MCULE-6573529992	694.771	ZOMINOAYTCNYGQ-RDANPGJMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163438
c1(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)cc(OC)c3)n2c2ccc(cc2)N(=O)=O)sc2c(CCCCC2)c1C(=O)OCC	ZINC22_150424900,CoCoCo_2661212,PC-id_4154342,MCULE-7301820411,EMOLS-id_22699966	694.778	VMUODTJRSZPWTH-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163439
s1c2c(CCCCC2)c(c1NC(=O)CSc1n(c(nn1)CNC(=O)c1cc(OC)c(OC)cc1)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	PC-id_43947744	694.778	XKOUPEDAIFFLMP-UHFFFAOYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163440
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)Cc1ccc(cc1)S(=O)(=O)C	ZINC22_1772703597,EMOLS-id_317479039,MCULE-7207077395,PC-id_137334722	694.798	OKYGTVUNLBJKJH-MWVDVNALSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163441
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccccc1	PC-id_137334630,MCULE-2793902223,EMOLS-id_317492869,ZINC22_1772701896	694.798	CDXOQQFQKQTAAA-XTBZXYEFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163442
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)o2	PC-id_137337276,EMOLS-id_317520760,ZINC22_1772703388,MCULE-9451118333	694.801	FRRFIGOWSXIFQA-RNAHPLFWSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163443
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C	MCULE-9094975907,EMOLS-id_317482357,PC-id_137338479,ZINC22_1772702945	694.801	MEPWBTPNPTXKTG-RNAHPLFWSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163444
Brc1c(OCc2c(Cl)cccc2F)c(OCC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_19660704	694.996	JXXUDLXTYUAYIO-PUHLOBNQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163445
Brc1c(OCc2c(Cl)cccc2F)c(OCC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_73635156	694.996	JXXUDLXTYUAYIO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163446
O=C1C(=CC(=C(c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)C=C1C(C)(C)C)C(C)(C)C	PC-id_10581369	695.069	RQLIAHNVRGALLM-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-163447
[Bi](c1c(Cl)c2-c(c1Cl)ccccc2)(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F	PC-id_86021063	695.237	KDDOVPRJWSALIA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163448
CCC1c2nnc(o2)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N1CC)I)C)CC(C)C)Cc1ccccc1	SCHEMBL18652939	695.592	QNZJHCTYKLMPEB-LNQPXIKGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163449
BrC(=CC1OC(=O)C#CC=C(CC(OC(=O)C(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCc2nc(sc2)C1)C)C)C	PC-id_72259773	695.661	KFGHSWAMKCDLAM-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163450
Br/C(=C/[C@H]1OC(=O)C#C/C=C(/C[C@@H](OC(=O)[C@@H](N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCc2nc(sc2)C1)C)C)/C	SCHEMBL12779451,PC-id_59343231	695.661	KFGHSWAMKCDLAM-ISPNGQPWSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163451
O=C1NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)NC1Cc1c3c([nH]c1)cccc3)c2	PC-id_74956716	695.686	XRICIBQUSCIUOB-UHFFFAOYSA-N	00000000100000100101000001100010000000000000000000000000	31-01-163452
O=C1N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)Nc2nnn(CC(=O)NCC(=O)N[C@H]1Cc1c3c([nH]c1)cccc3)c2	PC-id_44225090	695.686	XRICIBQUSCIUOB-UFYCRDLUSA-N	00000000100000100101000001100010000000000000000000000000	31-01-163453
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)C1CCN(CC1)C(=O)COCC	EMOLS-id_317517486,MCULE-3986303127,PC-id_137345624,ZINC22_1772714512	695.806	UQEHIBHYMDOQTG-XTBZXYEFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163454
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2ccc(F)cc2OC)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	EMOLS-id_317897924,ZINC22_1772817928,MCULE-3329670004	695.824	JNTXVFFQDSUBGL-KZFQQWRHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163455
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)C(C)(C)N1CCOCC1	EMOLS-id_317899712,ZINC22_1772817383,MCULE-4486339779	695.852	CTOWSGMUJWKXBN-IOHOYOPVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163456
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)CC1CCCC1)n2	MCULE-6886821500,EMOLS-id_317385906,PC-id_135088347,ZINC22_1704330439	695.872	CFGMIMDNEVNWQE-CSYFSRKCSA-N	00000010100000110101000000000010000000000000000000000000	31-01-163457
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)CCc1ccsc1	PC-id_137338168,MCULE-6320168177,EMOLS-id_317465977,ZINC22_1772701519	695.872	QRXZFKCSOVHFDT-LOTJKCTMSA-N	00000000100100110101000000000010000000000000000000000000	31-01-163458
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19053666	695.89	UFZUSFRRSYDZRY-SXBRIOAWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163459
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19053798	695.89	SHUXAHXTGNKUKO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163460
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19053930	695.89	IWPCZXLGJTVHRU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163461
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73512820	695.89	UFZUSFRRSYDZRY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163462
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19052675	695.89	KVLXEYDQXXWDMT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163463
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19052709	695.89	FOCIZFSSFIHDOY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163464
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19053667	695.89	CIXVXCNCCSBEOE-SXBRIOAWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163465
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19053799	695.89	IDUUIYIYMSWAGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163466
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19053931	695.89	DSLFMXGTBLEKNZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163467
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73512821	695.89	CIXVXCNCCSBEOE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163468
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19053602	695.89	ZHRISDDYDYYMEA-SJIPCVTESA-N	00000000100000110100000000000010000000000000000000000000	31-01-163469
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19053734	695.89	FEPGTRDSJSORRM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163470
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19053866	695.89	FDYFVLZTZUTGFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163471
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73512756	695.89	ZHRISDDYDYYMEA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163472
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19321756	695.89	FKPAMYNHDYSVDI-QLTSDVKISA-N	00000000100000110100000000000010000000000000000000000000	31-01-163473
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73601153	695.89	FKPAMYNHDYSVDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163474
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19052710	695.89	HSGFXOOHXSCYGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163475
CCN1CCN(CC1)C(=O)C(c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)N(CC)C	SCHEMBL1204700,PC-id_57625118	695.916	IBEHGUSPBVHCHJ-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-163476
[OH+]=C1C(=CC(=C(c2cc(c3-c2ccc(cc3)C(C)(C)C)C(C)(C)C)c2cc(c3-c2ccc(cc3)C(C)(C)C)C(C)(C)C)C=C1C(C)(C)C)C(C)(C)C	PC-id_101706332	696.077	RQLIAHNVRGALLM-UHFFFAOYSA-O	00000010100011000110000000000010000000000000000000000000	31-01-163477
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc(Cl)cc1	EMOLS-id_317494956,MCULE-8246035673,PC-id_137345529,ZINC22_1772713810	696.236	SWTGIYYBFAPMJJ-YBBGPBPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163478
O=C(N1CCN(CC1)C1CCNCC1)[C@@H](Cc1cc(C)c(c(c1)Cl)N)CCCCC1CCC(CC1)CCC1CCc2c(NC1=O)csc2	PC-id_143122353	696.428	MEXSKOVFLMONSQ-NXOXPMEMSA-N	00000000100010110101100000000010000000000000000000000000	31-01-163479
CC1C=CC(=NC1N(CC2=C(C(CC=C2)C3=CC=CC(=C3C)CN4C5=C(CC=CC(=N5)CNCCNC(C)O)C=N4)C)N)CNCCNC(=O)C	PC-id_154947252	696.459	HZLBSZOWZXLOTN-UHFFFAOYSA-N	00000000100011110111100000000010000000000000000000000000	31-01-163480
CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc(Br)c1OCc1ccc(Br)cc1	ZINC22_408974560	696.492	ZRTMOQVHCIPJRA-ZSNJKBEMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163481
N#CC1=CN(C[C@](c2c1cn[nH]2)(C)CCN(C(=O)C1=CN(CC(c2c1c(C)n[nH]2)(C)C)C(=O)c1ccc(c(c1)F)F)C)C(=O)c1ccc(cc1)F	SCHEMBL19711721	696.721	CQVRTYISGOMGLE-QNGWXLTQSA-N	00000000100000110111000000000010000000000000000000000000	31-01-163482
N#CC1=CN(C[C@](c2c1[nH]nc2)(C)CCN(C(=O)C1=CN(CC(c2c1[nH]nc2C)(C)C)C(=O)c1ccc(c(c1)F)F)C)C(=O)c1ccc(cc1)F	SCHEMBL19711718	696.721	IMUIEHGWQVRYLB-QNGWXLTQSA-N	00000000100000110111000000000010000000000000000000000000	31-01-163483
CN/C=CC(=C/C)c1[nH]c2c(c1CCCCCN1C=C(CN=C1N)C(c1ccc(cc1)OC)C/C(=C/C)/C=CC(=C)Br)CC=CC=C2	PC-id_143857491	696.762	ATIVTQJQLVBPOZ-WLUMCTBESA-N	00000000100011110111000000000010000000000000000000000000	31-01-163484
CCc1c(C)nn(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)c3cc(C2)on3)c1C	EMOLS-id_317487997,ZINC22_1772701850,PC-id_137335122,MCULE-5860834226	696.795	PEGTVAZTPAWOTH-IFDYJGHISA-N	00000000100000110101000000000010000000000000000000000000	31-01-163485
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)[C@H]1CCC(=O)N1)n2	EMOLS-id_317329821,PC-id_135105008,MCULE-4602250430,ZINC22_1704321390	696.817	MBUUURWBBOAEDJ-NAEVTALSSA-N	00000010100000110101000000000010000000000000000000000000	31-01-163486
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)[C@@H]1CCC(=O)N1)n2	EMOLS-id_317378463,MCULE-7686054247,ZINC22_1704322576,PC-id_135107290	696.817	MBUUURWBBOAEDJ-SOCXJPGISA-N	00000010100000110101000000000010000000000000000000000000	31-01-163487
s1c2nc(c1)C=CC(=O)NC(Cc1c3c([nH]c1)cccc3)C(=O)NCC(N)C(=O)NC(C(=O)NC(C(CC)C)C(O)C(=O)NC2COC)C	PC-id_85320168	696.817	IATDDCKVVBUCLF-UHFFFAOYSA-N	00000000100000100111000001100010000000000000000000000000	31-01-163488
s1c2nc(c1)/C=C/C(=O)N[C@@H](Cc1c3c([nH]c1)cccc3)C(=O)NC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)[C@@H](O)C(=O)N[C@H]2COC)C	PC-id_10930506	696.817	IATDDCKVVBUCLF-DYRFLGBNSA-N	00000000100000100111000001100010000000000000000000000000	31-01-163489
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(Cc3ccc(cc3)n3ccnc3)CCNC(=O)Cn1nc(C)n2	PC-id_137338213,ZINC22_1772705041,EMOLS-id_317475446,MCULE-2703179756	696.842	WJAUFHYQIQLLFQ-ZHNVJZHNSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163490
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)[C@@H]1CCCN1C)n2	PC-id_135111407,MCULE-3059951630,ZINC22_1704324751,EMOLS-id_317328551	696.86	RBKCSTADBCQPFF-HNVWNUGQSA-N	00000010100000110101000000000010000000000000000000000000	31-01-163491
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)Cc1csc(C)n1	MCULE-5993679409,PC-id_137338040,EMOLS-id_317481359,ZINC22_1772705251	696.86	RKMPXEXDIYIVCF-MUQQHEDISA-N	00000000100000110101000000000010000000000000000000000000	31-01-163492
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19051487	696.878	SBJSIRIMVBKFJS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163493
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19051521	696.878	PPZNIRNKFRPFSM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163494
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cccnc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19053272	696.878	PMZWXMOCUQXJAV-SWKFRHMKSA-N	00000000100000111100000000000010000000000000000000000000	31-01-163495
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cccnc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73512426	696.878	PMZWXMOCUQXJAV-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-163496
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19051522	696.878	HMIRQCWVIRXODF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163497
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)CN1CCCCCC1	EMOLS-id_317497261,MCULE-5147328974,PC-id_137339040,ZINC22_1772713175	696.88	GMUHJSDYGQMSEA-SCZOVYFASA-N	00000000100000110101000000000010000000000000000000000000	31-01-163498
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1scnc1C)n2	PC-id_135112770,ZINC22_1704323567,EMOLS-id_317388693,MCULE-2536001046	696.883	YTAIJIBDWUAWFD-TYFYUWPDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163499
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)c2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL14980485	696.92	VCOPDKYPSSSVCQ-CATNAIAASA-N	00000000100000110101000000000010000000000000000000000000	31-01-163500
s1c2nc(c1)C(=O)NC(=CC)C(=O)NC(C(C)C)C(=O)OC(CC(=O)NC2Cc1ccccc1)C=CCCSC(=O)CCCCCCC	PC-id_72664655	696.92	VCOPDKYPSSSVCQ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163501
s1c2nc(c1)C(=O)NC(=CC)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H](CC(=O)N[C@H]2Cc1ccccc1)/C=C/CCSC(=O)CCCCCCC	PC-id_60151086	696.92	VCOPDKYPSSSVCQ-HEXDJHAQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163502
CC(c1ccc2-c(cc1)ccc2C#Cc1cc(C#Cc2ccc3-c2ccc(cc3)C(C)(C)C)cc(c1)C#Cc1ccc2-c1ccc(cc2)C(C)(C)C)(C)C	PC-id_101051085	696.959	FQQIBZIDADEVEA-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163503
Oc1c(C(C)(C)C)cc(C(c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)c2c3-c(c(C(C)(C)C)c2)ccc(C(C)(C)C)cc3)cc1C(C)(C)C	PC-id_10556630	697.085	NUIPBOPTBKZGBI-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163504
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1c(cccc1F)Cl	PC-id_137341970,ZINC22_1772714184,MCULE-8348315888,EMOLS-id_317521316	697.199	DVCNGDGUPJWAIE-UEOVABOPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163505
Brc1c(OCc2c(Cl)cccc2Cl)c(OC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_19660415	697.424	AILYHPBAWVFWQO-ZHSUKTGHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163506
Brc1c(OCc2c(Cl)cccc2Cl)c(OC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_73634872	697.424	AILYHPBAWVFWQO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163507
Brc1c(OCc2c(Cl)cc(Cl)cc2)c(OC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_3607797	697.424	HFGKTYMIIJPEBV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163508
Brc1c(OCc2c(Cl)cc(Cl)cc2)c(OC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_9627768	697.424	HFGKTYMIIJPEBV-ZHSUKTGHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163509
BrC(=CC1OC(=O)C=CC=C(CC(OC(=O)C(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCc2nc(sc2)C1)C)C)C	PC-id_72259761	697.677	YYSXWZBXKSICJV-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163510
Br/C(=C/[C@H]1OC(=O)C=CC=C(C[C@@H](OC(=O)[C@@H](N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCc2nc(sc2)C1)C)C)/C	PC-id_59343214	697.677	YYSXWZBXKSICJV-GHCSPAKISA-N	00000000100000000111000000000010000000000000000000000000	31-01-163511
C[C@H]1C/C(=C/C=CC(=O)O[C@H](/C=C(/Br)C)Cc2nc(CCC[C@@H](C(=O)O1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cs2)/C	SCHEMBL12779450	697.677	YYSXWZBXKSICJV-LOEVFXNNSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163512
Cc1cc(C(F)(F)F)n(c2nc(C(=O)N3CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c4cc(on4)C3)cs2)n1	MCULE-1393858483,ZINC22_1772714571,EMOLS-id_317512107,PC-id_137340610	697.686	XPHDIEVOQHQHJP-YQMDMEMYSA-N	00000000100000000101100000000010000000000000000000000000	31-01-163513
ClC(Cl)(CCCC1OC(=O)c2nc(sc2)C(NC(=O)CNC(=O)C(NC(=S)C(OC(=O)C1(C)C)C(O)(C)C)CO)C(C)C)C	PC-id_72774515	697.691	DCKCSJOKVKGNMW-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163514
ClC(Cl)(CCC[C@@H]1OC(=O)c2nc(sc2)[C@@H](NC(=O)CNC(=O)[C@H](NC(=S)[C@@H](OC(=O)C1(C)C)C(O)(C)C)CO)C(C)C)C	PC-id_11262536	697.691	DCKCSJOKVKGNMW-DJABAAGCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163515
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OCCn1nncc1C(=O)OCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)COC(=O)C	PC-id_73000740	697.729	TZYJIINEMISLOK-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-163516
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OCCn1nnc(c1)C(=O)OCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)COC(=O)C	PC-id_73020220	697.729	OIFQSHJQPBDNGZ-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-163517
O1[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OCCn1nncc1C(=O)OCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)COC(=O)C	PC-id_11542126	697.729	TZYJIINEMISLOK-MWTNOQARSA-N	00000010100010000111000000000010000000000000000000000000	31-01-163518
O1[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OCCn1nnc(c1)C(=O)OCCc1c2-c(cc(C(C)C)cc1)c(cc2)C)COC(=O)C	PC-id_11585656	697.729	OIFQSHJQPBDNGZ-MWTNOQARSA-N	00000010100010000111000000000010000000000000000000000000	31-01-163519
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc(F)cc1F	ZINC22_1772702242,PC-id_137337973,MCULE-5635801394,EMOLS-id_317490035	697.772	RHUWGJGDNBWGDF-MUQQHEDISA-N	00000000100000110101000000000010000000000000000000000000	31-01-163520
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)C1CCOCC1)n2	EMOLS-id_317368208,MCULE-9591792225,PC-id_135113335,ZINC22_1704322621	697.845	KLEMTHAGCNMMNO-SVAWTBLWSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163521
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(OC)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19051685	697.863	ATVOYPHJVLRZBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163522
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(OC)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19051620	697.863	AJMHTUHYTYUJFA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163523
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(OCC)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19052147	697.863	CHQMAEKJKMKOIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163524
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(OCC)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19052181	697.863	ILUHNKVYIFEDAM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163525
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cc(OC)ccc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19051949	697.863	KBWFYXFKUTTWJJ-SWKFRHMKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163526
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(OC)ccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73511103	697.863	KBWFYXFKUTTWJJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163527
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cc(OC)ccc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19051884	697.863	YBHPGZLIBGCTBT-VAMRJTSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163528
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(OC)ccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73511038	697.863	YBHPGZLIBGCTBT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163529
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19051817	697.863	DXCREVMFVAXSCZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163530
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19051752	697.863	JZBXOLGQMFBJGS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163531
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OCC)cccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19052015	697.863	OMHPUZUMNUCEJJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163532
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OCC)cccc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19052049	697.863	UAPTVKSBDLMQSU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163533
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(OC)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19051621	697.863	XWVUYYCAMIKAPM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163534
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(OC)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19051655	697.863	JMXYPKXIMNYYBG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163535
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(OCC)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19052182	697.863	SAIRYEYDPVAELE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163536
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cc(OC)ccc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19051885	697.863	SIPBIIDGJJWKMU-VAMRJTSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163537
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(OC)ccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73511039	697.863	SIPBIIDGJJWKMU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163538
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2cc(OC)ccc2)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19051919	697.863	VPWWSKZRPZFYHN-VAMRJTSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163539
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cc(OC)ccc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73511073	697.863	VPWWSKZRPZFYHN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163540
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19051753	697.863	PQHYVYKUFWNXKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163541
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OC)cccc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19051787	697.863	MPKFKXZTSGJOLI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163542
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OCC)cccc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19052050	697.863	ANZPGWAUMDODSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163543
NCCCOCCOCCOCCCNC(=O)CCCC(=O)N1CCc2c(CC(C1)OC)nnn2CC(COCC(CN(C)C)(C)C)(C)C	PC-id_143919456	697.949	VLNILTJARFRWEZ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163544
CCCCCCC1(CCCCCC)COc2c(OC1)csc2/C=C(/c1scc2c1OCC(CO2)(CCCCCC)CCCCCC)C#N	PC-id_101416510	698.073	CKYFQJQGSCYCOZ-INKHBPHZSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163545
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(C(=O)CCc3onc(Cl)c3)CCNC(=O)Cn1nc(C)n2	EMOLS-id_317509754,MCULE-1322350023,PC-id_137337144,ZINC22_1772701214	698.212	JNYXWPZDODBVRU-AKKDSBOQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163546
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ncc(F)cc1F	EMOLS-id_317500296,ZINC22_1772707346,MCULE-1413231300,PC-id_137338332	698.76	PZQIJBGCFZLRSR-NOUQMAPCSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163547
CCC1=C(C(=O)OC(C)C)c2nn(c(c2C(CN1C(=O)c1ccc(cc1)OCCN1CCOCC1)(C)C)C(F)(F)F)Cc1ccc(cc1)OC	SCHEMBL19659966	698.772	WSNQUGZMZTUSCY-UHFFFAOYSA-N	00000000100010110111000000000010000000000000000000000000	31-01-163548
NC(=NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](N1Cc2cnnn2C[C@@H](C1=O)NC(=O)C)Cc1ccccc1)N	BindingDB_PC-id_118735103,PC-id_118735103	698.775	BVHVEJVRGYHQTC-XFTNXAEASA-N	00000000100000110101000001100010000000000000000000000000	31-01-163549
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19052939	698.808	ZRHHGNGCPDPJDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163550
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19052973	698.808	FNDCYXNECHOKKI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163551
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c([N+](=O)[O-])cccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19322347	698.808	XZUBSQUFGMGPJI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163552
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c([N+](=O)[O-])cccc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19322381	698.808	JJADSEBNFPJSQF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163553
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19052974	698.808	VUHNSGXQENUINK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163554
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c([N+](=O)[O-])cccc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19322382	698.808	GNOVCHZYQXJTMI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163555
Clc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)ccc1	PC-id_73601516	702.282	ANVBLPIMIWUOKZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163631
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CCCc3onc(c4cccnc4)n3)CCCNC(=O)Cn1nc(C)n2	MCULE-5032223513,ZINC22_1772713338,EMOLS-id_317488300,PC-id_137341357	698.814	HTGXUKKLYBGHLV-YDYNHKSESA-N	00000000100000111101100000000010000000000000000000000000	31-01-163556
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(C(=O)CCCc3onc(c4ccncc4)n3)CCCNC(=O)Cn1nc(C)n2	MCULE-7817379692,EMOLS-id_317459126,PC-id_137345647,ZINC22_1772713690	698.814	OQUJYIVWYMAUQW-YDYNHKSESA-N	00000000100000111101100000000010000000000000000000000000	31-01-163557
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cnn2cc(C)ccc12	PC-id_137343880,MCULE-6340129546,EMOLS-id_317495977,ZINC22_1772713475	698.814	MVWXPQVIRMXECP-PHALFPIFSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163558
Cc1nc2n(n1)CC(=O)NCCN(S(=O)(=O)c1c(C)n[nH]c1C)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C	PC-id_137335494,EMOLS-id_317467509,MCULE-8340779657,ZINC22_1772702697	698.836	XHRQCGSLFADHFB-DLNIMUOOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163559
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cc(Cl)cn1C	ZINC22_1772704345,MCULE-3395464989,PC-id_137337450,EMOLS-id_317462918	699.24	LSWVXBYHXOILCM-WPHQEQLXSA-N	00000000110000110101000000000010000000000000000000000000	31-01-163560
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s1c2c(CCCCC2)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(C)C	PC-id_5182211	699.421	UHPBWCYFBSQLHD-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-163562
FC(F)(F)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)n2nnc(CCC(=O)NCCCC1)c2)CCCCNC(=O)C1CC1)CCCN=C(N)N	PC-id_73213626	699.725	YEHQGPUUXZTZAP-ACRUOGEOSA-N	00100000100000000101000000000010000000000000000000000000	31-01-163563
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CCCN1CCCCC1=O	PC-id_137340967,MCULE-5507351549,ZINC22_1772713754,EMOLS-id_317505192	699.796	RTACJDVQHZDEPA-LQJQRVQGSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163564
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CCN1CCCCCC1=O	MCULE-7794839349,EMOLS-id_317518766,PC-id_137340659,ZINC22_1772713333	699.796	DCDUAQICFGPBGB-LQJQRVQGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163565
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1ccc(c(Cn2cncn2)c1)OC	ZINC22_1772704200,PC-id_137335904,MCULE-6627657590,EMOLS-id_317490056	699.799	PLPASUDRTOPKOM-HGLPBTONSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163566
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1c(C)nn2ncccc12	EMOLS-id_317888206,MCULE-5464553006,ZINC22_1772817945	699.803	UYVIJOFWBAFNOH-OXVGDENJSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163567
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cc(OC)c(OC)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19051388	699.836	DCXOSMWGLZFNBK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163568
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OC)ccc(OC)c2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19051256	699.836	MCAKWTNCAPUHTL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163569
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cc(O)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19054655	699.836	LPGMVFOQODZHKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163570
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OC)cc(O)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19054689	699.836	PLJFVDUNNKXKBQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163571
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OC)cc(OC)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19051124	699.836	UIIDJFOGVITKHT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163572
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OC)c(OC)ccc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19050992	699.836	OZEZRWWIJJFNIU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163573
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OC)cc(O)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19054690	699.836	YHLUUQYNHDCPHQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163574
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(F)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19052478	699.854	PYOAPASXQGICPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163575
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(F)cccc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19052346	699.854	XLMASXRPQNEHBA-SWKFRHMKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163576
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(F)cccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73511500	699.854	XLMASXRPQNEHBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163577
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(F)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19052479	699.854	JGEWGPBGKYNSOF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163578
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(F)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19052414	699.854	STEUWPJPKHTLSH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163579
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(F)cccc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19052347	699.854	PWWSKZQLQHYZDI-SWKFRHMKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163580
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(F)cccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73511501	699.854	PWWSKZQLQHYZDI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163581
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(F)cccc2)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19052282	699.854	QKWRGTMZIHLUPZ-VAMRJTSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163582
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(F)cccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73511436	699.854	QKWRGTMZIHLUPZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163583
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)CN1CCN(CC1)c1cccc(C)c1	ZINC22_1772701240,PC-id_137335966,EMOLS-id_317474931,MCULE-8350735572	699.885	DBHOIOXMLMDTJY-KUFVUHJUSA-N	00000000100010110101100000000010000000000000000000000000	31-01-163584
CCC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@](OC(=O)[C@H]1C)(C)[C@H](CC)C)C)Cc1ccc(cc1)O)C)C(C)C	PC-id_102271338	699.9	JBWATAVDKJBSPF-PLRXFINJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163585
NNCCCOCCOCCOCCCNC(=O)CCCC(=O)N1CCc2n(nnc2CC(C1)OC)CC(COCC(CN(N)C)(C)C)C	SCHEMBL21443471,PC-id_139565320	699.925	BFHOXDQFOUPBGL-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163586
c1(C(=O)N2CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](c3nc(Cc4ccc(c(OC)c4)OC)nn3CC(=O)NCCC2)C)nn(cc1Cl)C	EMOLS-id_317502632,MCULE-3108820915,PC-id_137340788,ZINC22_1772713054	700.228	AZDFJJONCWVMTQ-FONBTEPMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163587
Brc1cc2s/c(=N/C(=O)CS(=O)(=O)CC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)/n(c2cc1)CC(=O)OCC	PC-id_4191730	700.641	SWQITKXVDBGZES-KDJFERLWSA-N	00000000100000100101000001000010000000000000000000000000	31-01-163588
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)Cc1c(cncc1Cl)Cl	MCULE-3511410584,ZINC22_1772714404,PC-id_137343274,EMOLS-id_317513647	700.658	OXYAPZNFLQYVHW-HAALKUMUSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163589
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)COc1ccc(cc1)n1cnnn1	ZINC22_1772706323,MCULE-2369808196,PC-id_137335868,EMOLS-id_317475214	700.744	YYEDSQAMMXQHPO-MWVDVNALSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163590
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)c1ccc(c(c1)N1CCNC1=O)C	MCULE-5645351768,PC-id_137341067,ZINC22_1772713658,EMOLS-id_317464245	700.784	OBXXAHYEWMMDKN-XTBZXYEFSA-N	00000010100000110101100000000010000000000000000000000000	31-01-163591
c12ncnn1c(c(CCC(=O)N1CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3noc(C1)c3)c(C)n2)C	EMOLS-id_317503657,ZINC22_1772713813,MCULE-5113822606,PC-id_137341436	700.787	SZBJWCLVDMEYJG-MWVDVNALSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163592
C1C(=O)NC(c2cn(C(C(=O)NC(C(=O)NCC(=O)N1)CCCN=C(N)N)CCCNC(=O)COCCOCCN)nn2)Cc1ccccc1	PC-id_89290085	700.789	HRJJIBHNSRCZSZ-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163593
NCCOCCOCC(=O)NCCCC1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@H](c2cn1nn2)Cc1ccccc1	SCHEMBL14262667	700.789	HRJJIBHNSRCZSZ-REQUTJCGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163594
S(=O)(=O)(NC(CNC(=O)c1cn2CCCN(C(c3ccc(NC(=O)Nc4c(cccc4)C)cc3)(C)C)C(=O)c2c1)C(=O)O)c1ccc(cc1)C	PC-id_20616335	700.804	IGIFOQNXZMEKDC-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163595
S(=O)(=O)(N[C@H](CNC(=O)c1cn2CCCN(C(c3ccc(NC(=O)Nc4c(cccc4)C)cc3)(C)C)C(=O)c2c1)C(=O)O)c1ccc(cc1)C	PC-id_60067599	700.804	IGIFOQNXZMEKDC-SSEXGKCCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163596
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(cc1)C(=O)N1CCOCC1	EMOLS-id_317517221,ZINC22_1772714132,PC-id_137339663,MCULE-4390651240	700.827	BHIALTUEFGUSCC-NDKRRWIDSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163597
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccc(cc1)C#N)n2	ZINC22_1704321651,MCULE-6736541289,PC-id_135111843,EMOLS-id_317357968	700.85	DSRUOZAUPWBOQO-IZJLGPICSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163598
CC/C=Cc1c(C)c2c(n1/C(=C/C)/C=CC(Cc1ccc(cc1)C(C(=C)/C=CC(=C/C)N(c1ccccc1C1(C)CC=CC=C1)C)C)C)C=CC=CC2	PC-id_143310301	701.036	VRMAGYFXYCMEGD-PVLGCHOFSA-N	00000000100011110110100000000010000000000000000000000000	31-01-163599
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cc2c(ccc(F)c2)[nH]1	ZINC22_1772701845,EMOLS-id_317476464,PC-id_137334474,MCULE-2851128254	701.79	HVTSDPGEFORUAQ-PZVVFFFBSA-N	00000000100000110101000001100010000000000000000000000000	31-01-163600
S(=O)(=O)(NC(CNC(=O)c1nn2CCCN(C(c3ccc(NC(=O)Nc4c(cccc4)C)cc3)(C)C)C(=O)c2c1)C(=O)O)c1ccc(cc1)C	PC-id_20616334	701.792	CWFYIJJLSMPSOF-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163601
S(=O)(=O)(N[C@H](CNC(=O)c1nn2CCCN(C(c3ccc(NC(=O)Nc4c(cccc4)C)cc3)(C)C)C(=O)c2c1)C(=O)O)c1ccc(cc1)C	PC-id_60067643	701.792	CWFYIJJLSMPSOF-GDLZYMKVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163602
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)C1CCN(CC1)CCOC	MCULE-9032385522,EMOLS-id_317476469,ZINC22_1772705710,PC-id_137336885	701.812	ZJVHCMGSPCASJD-RVQNBHMFSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163603
Fc1ccc(cc1)C(=O)C1CCCCN1CCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750507	701.848	XLEPFFLKKMYGEM-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-163604
Fc1ccc(cc1)C(=O)C1CCN(CC1)CCOc1cc(ccc1NC(=O)c1ccccc1c1ccccc1)C(=O)N1CCCCc2c1ccs2	PC-id_139750452	701.848	OLAYORBWJAVXQP-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-163605
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(CCCCCC2)c1C(=O)OC	PC-id_3618994	701.849	MPVXJSAOGWIJEN-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-163606
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)C1Cc2ccccc2C1	PC-id_137335356,EMOLS-id_317495164,ZINC22_1772703116,MCULE-2771254649	701.855	BSQIEXIWWGCESO-LSJJIYBBSA-N	00000010100000110101000000001010000000000000000000000000	31-01-163607
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)S(=O)(=O)c1ccc(cc1)S(=O)(=O)C	EMOLS-id_317499012,PC-id_137335260,MCULE-5013030635,ZINC22_1772701815	701.857	BOGVYELIBVUASP-OFSOJUDTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163608
c12csc([C@H](C(C)C)NC(=O)CN(C[C@H](Cc3ccccc3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC)NC(=O)[C@@H](C)NC1=O)C(=O)C)n2	ZINC22_1704323396,EMOLS-id_317385875,PC-id_135096469,MCULE-6950141068	701.9	VBLWWGMYXPPQBL-ULVXDUNQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163609
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19053140	701.918	MDHVMBRCAWJGGY-ANYBSYGZSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163610
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73512294	701.918	MDHVMBRCAWJGGY-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163611
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19053536	701.918	OSQDTVYBWIYNBP-FAJYDZGRSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163612
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73512690	701.918	OSQDTVYBWIYNBP-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163613
c12csc([C@H](C(C)C)NC(=O)CN(CCC)C[C@H](Cc3ccccc3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC)NC(=O)[C@@H](C)NC1=O)n2	ZINC22_1704325184,MCULE-3357576252,PC-id_135120231,EMOLS-id_317331630	701.943	ZBPCUUKUXSLORI-MUANRIAXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163614
CNCC(COCC(Cn1nnc2c1CCN(CC(C2)OC)C(=O)CCCC(=O)NCCCOCCOCCOCCCN)(S)C)(C)C	PC-id_144438651	701.961	GCVFXRMQZLJVES-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163615
Clc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)cc1	PC-id_19322216	702.282	LZBHLWRBVDBYGI-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163616
Clc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)cc1	PC-id_19322281	702.282	TVDCSUHPZKOOAO-XHLNEMQHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163617
Clc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)cc1	PC-id_73601613	702.282	LZBHLWRBVDBYGI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163618
Clc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)cc1	PC-id_73601678	702.282	TVDCSUHPZKOOAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163619
Clc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)cc1	PC-id_19322217	702.282	FSGPUJNOZZZEDT-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163620
Clc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)cc1	PC-id_19322251	702.282	KGZSNMXPKGSHLF-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163621
Clc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)cc1	PC-id_73601614	702.282	FSGPUJNOZZZEDT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163622
Clc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)cc1	PC-id_73601648	702.282	KGZSNMXPKGSHLF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163623
Clc1cc(/C=C(NC(=O)c2ccccc2)/C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)ccc1	PC-id_19322084	702.282	BOUGRKNMAPHQAO-OFWBYEQRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163624
Clc1cc(/C=C(NC(=O)c2ccccc2)/C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)ccc1	PC-id_19322149	702.282	PEKHRGVCEJBVHV-ANYBSYGZSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163625
Clc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)ccc1	PC-id_73601481	702.282	BOUGRKNMAPHQAO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163626
Clc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)ccc1	PC-id_73601546	702.282	PEKHRGVCEJBVHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163627
Clc1cc(/C=C(NC(=O)c2ccccc2)/C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)ccc1	PC-id_19322085	702.282	NQRAFSWDRTWZKX-OFWBYEQRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163628
Clc1cc(/C=C(NC(=O)c2ccccc2)/C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)ccc1	PC-id_19322119	702.282	ANVBLPIMIWUOKZ-OFWBYEQRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163629
Clc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)ccc1	PC-id_73601482	702.282	NQRAFSWDRTWZKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163630
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)cccc1	PC-id_19321952	702.282	ODHHVDIXZZLDAH-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163632
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)cccc1	PC-id_19322017	702.282	PNXOCYDMOCUIGM-XHLNEMQHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163633
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)cccc1	PC-id_73601349	702.282	ODHHVDIXZZLDAH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163634
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)cccc1	PC-id_73601414	702.282	PNXOCYDMOCUIGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163635
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)cccc1	PC-id_19321953	702.282	ABIIUPMFJOSUQL-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163636
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_19321987	702.282	WFIDVSGVMYXFAJ-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163637
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)cccc1	PC-id_73601350	702.282	ABIIUPMFJOSUQL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163638
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)cccc1	PC-id_73601384	702.282	WFIDVSGVMYXFAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163639
s1c2c(CCCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCCCCC2)c1C(=O)N)C(=O)N	PC-id_4547921	702.679	FAHLHAYQUCXXOK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-163640
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)C(=O)CN1CCN(CC1)c1ncccn1	PC-id_137342976,EMOLS-id_317494440,MCULE-7662201451,ZINC22_1772713950	702.803	VKMCNIPOLWMOLF-RYRVMRHHSA-N	00000000100010110101100000000010000000000000000000000000	31-01-163641
c1(cn2c(nccc2)n1)C(=O)N1CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](c2nc(Cc3ccc(c(OC)c3)OC)nn2CC(=O)NCCC1)C	EMOLS-id_317501817,MCULE-5121495329,PC-id_137334929,ZINC22_1772707565	702.803	VYOROQBUOBTGFC-LWPQGVMLSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163642
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc2[nH]nnc2c1	ZINC22_1772713905,PC-id_137342320,EMOLS-id_317501346,MCULE-1606822915	702.803	UTORNLOQHZGWBH-MUQQHEDISA-N	00000000100000110101000001000010000000000000000000000000	31-01-163643
S(=O)(=O)(NC(CNC(=O)c1nn2CCCN(CCC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)c2c1)C(=O)OC(C)(C)C)c1ccc(cc1)C	PC-id_85211692	702.861	SBDXFGMCSWPOBW-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163644
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(I)c1OCc1ccccc1C#N	ZINC22_408972918	703.632	WYBVQQMQOLDJER-CHSHITCJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163645
c1(C(=O)N2CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](c3nc(Cc4ccc(c(OC)c4)OC)nn3CC(=O)NCCC2)C)nn2c(nccc2)n1	MCULE-8314611835,EMOLS-id_317483405,ZINC22_1772701912,PC-id_137337793	703.791	AVVFMGDCPALZDU-KERYWQKISA-N	00000000100000110101000001000010000000000000000000000000	31-01-163646
Cc1cc(cc(c1NC(CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nnc2n1CCNCC2	PC-id_89864460	703.82	GNINMFOEPOCECT-UHFFFAOYSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163647
Cc1cc(cc(c1N[C@@H](CSc1ccccc1)CCN1CCOCC1)S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1nnc2n1CCNCC2	SCHEMBL15338145	703.82	GNINMFOEPOCECT-OAQYLSRUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163648
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc2OCCc2c1	MCULE-4791135853,EMOLS-id_317516910,PC-id_137336747,ZINC22_1772702520	703.828	SXYKDMZNTDZBOG-KZFQQWRHSA-N	00000010100000110101000000001010000000000000000000000000	31-01-163649
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCCc3ccccc3)CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)n2	MCULE-5010184473,PC-id_135101856,ZINC22_1704319576,EMOLS-id_317365639	703.894	XGPBAOHPSMOVKJ-DSAOOHFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163650
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1c(C)cccc1C)n2	MCULE-3213457620,PC-id_135102772,EMOLS-id_317328784	703.894	FWURNYZOPKMHAG-DSAOOHFSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163651
Clc1c(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)c(c(Cl)c(Cl)c1Cl)C(=O)O	PC-id_18897696	704.469	PFZIPFAOUIHWML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163652
Clc1c(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)c(c(Cl)c(Cl)c1Cl)C(=O)O	PC-id_18897761	704.469	DOHMUZWIWAVESF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163653
Clc1c(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)c(c(Cl)c(Cl)c1Cl)C(=O)O	PC-id_18897697	704.469	MNOMXIOVFUESHW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163654
Clc1c(C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)c(c(Cl)c(Cl)c1Cl)C(=O)O	PC-id_18897731	704.469	GLJNWFSRRAUSKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163655
CC(C)C1N(C2=C(N1C(C1CCCCc3c1n(c(n3)C(C)C)Cc1cc(c(cc1)Cl)Cl)C(=O)O)CCC2)Cc1cc(c(cc1)Cl)Cl	PC-id_90972392	704.556	YPRYGOGTQPKNRI-UHFFFAOYSA-N	00000011100000110101000000000110000000000000000000000000	31-01-163656
s1c2c(CCCCC2)c(c1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1sc2c(CCCCC2)c1C(=O)OC)C(=O)OC	PC-id_5115229	704.649	HZLFLTJIUBFQSK-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-163657
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cc(F)cc(c1)C#N	EMOLS-id_317510062,PC-id_137342141,ZINC22_1772714360,MCULE-1856037928	704.791	NDVVOKKGOINIJN-KVSUUNMHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163658
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(Cc3cc(OC)c4c(OCO4)c3)CCNC(=O)Cn1nc(C)n2	EMOLS-id_317891534,ZINC22_1772818029,MCULE-6262340457	704.816	LTLASLZXCBNHLT-FPEPASNRSA-N	00000010100000110101000000001010000000000000000000000000	31-01-163659
C1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Nc2nc(cs2)CS1)Cc1ccc(cc1)O)Cc1ccc(cc1)O)Cc1ccc(cc1)O)C(=O)N	PC-id_136210535	704.816	PPOAFTONKLHESG-DZUOILHNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163660
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccc(nc1)C)n2	EMOLS-id_317345938,PC-id_135116112,MCULE-9163236950,ZINC22_1704323822	704.839	ZESCVZNLKQMMCN-XZQSQWLPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163661
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)Cc1cccnc1)n2	EMOLS-id_317363845,MCULE-2833942566,ZINC22_1704319526,PC-id_135100717	704.839	WMXJUQYBMYUVGY-CSYFSRKCSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163662
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)Cc1cn2c(scc2)n1	PC-id_137334931,MCULE-7149973141,ZINC22_1772703700,EMOLS-id_317513590	704.842	YYTRXPAYPYDWIP-WCUBMSFQSA-N	00000000100000110101000100000010000000000000000000000000	31-01-163663
S(=O)(=O)(N[C@@H](CNC(=O)c1nn2CCCN(CCC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)c2c1)C(=O)OC(C)(C)C)c1ccc(cc1)[14CH3]	PC-id_10628528	704.854	SBDXFGMCSWPOBW-NPXQZWLKSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163664
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cccc(c1)N(C)C	ZINC22_1772713683,EMOLS-id_317501601,MCULE-4743108212,PC-id_137343432	704.859	QJAOFIMUFPLQEQ-SGQICDRISA-N	00000000100000110101000000000010000000000000000000000000	31-01-163665
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)Cc1cc(C)nc(C)c1	PC-id_137335707,EMOLS-id_317457272,ZINC22_1772700370,MCULE-8648902470	704.859	DGBSSKKQBFDBPV-KYLVVDHQSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163666
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccc(cn1)CC)n2	EMOLS-id_317338790,MCULE-8370611254,PC-id_135120405,ZINC22_1704325180	704.882	YTHHYPIYVDSXHZ-IZJLGPICSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163667
CC(C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)n2nnc(c2)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CC(C)C)C(=O)O)C	PC-id_101448948	704.9	PQYKEWLNCAOGRG-AQRCPPRCSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163668
O=C(Nc1ccc(C(=O)N2CCCCc3sccc23)cc1OCCCC(=O)N1CCC(N2CCCCC2)CC1)c1ccccc1c1ccccc1	BindingDB_PC-id_11239468,CHEMBL368353,PC-id_11239468	704.92	GBOCTZMLOKKIHJ-UHFFFAOYSA-N	00000000100010110100100000000010000000000000000000000000	31-01-163669
S1Cc2n(nnc2CSCC1)CC1N=C(OC1c1ccccc1)CC1=NC(C(O1)c1ccccc1)Cn1nnc2c1CSCCSC2	PC-id_78165456	704.951	SEBHUWNKQDQVJA-UHFFFAOYSA-N	00000011100000110101100000000010000000000000000000000000	31-01-163670
S1Cc2n(nnc2CSCC1)C[C@@H]1N=C(O[C@H]1c1ccccc1)CC1=N[C@H]([C@@H](O1)c1ccccc1)Cn1nnc2c1CSCCSC2	PC-id_71739360	704.951	SEBHUWNKQDQVJA-HXBJNPKNSA-N	00000011100000110101100000000010000000000000000000000000	31-01-163671
CN1CCCCC(CCC1)C2=CC(=CC(=C2)CCCC(=O)C3=CSC4=C3CCC(CC4)CCC(=O)C5=C6C=N/C=CCCC6N=C5)C(F)(F)F	PC-id_165143260	705.358	ADNASEXCTSXSHH-LXEVFBRRSA-N	00000011100000110110100000000110000000000000000000000000	31-01-163672
ClC1=C(Cl)C(=O)[C@@]([C@@](Cc2c3-c(c(c2)C(=O)C)c(ccc(c3)C(C)C)C)(C1=O)C#N)(Cc1c2-c(c(cc2C(=O)C)C)cc(cc1)C(C)C)C#N	PC-id_46928812	705.668	MBWLRMXWGYRWBB-NCRNUEESSA-N	00000010100011000110000000000010000000000000000000000000	31-01-163673
ClC1=C(Cl)C(=O)C(C(Cc2c3-c(c(c2)C(=O)C)c(ccc(c3)C(C)C)C)(C1=O)C#N)(Cc1c2-c(c(cc2C(=O)C)C)cc(cc1)C(C)C)C#N	PC-id_75240770	705.668	MBWLRMXWGYRWBB-UHFFFAOYSA-N	00000010100011000110000000000010000000000000000000000000	31-01-163674
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1cnc(cn1)C)n2	PC-id_135113150,ZINC22_1704322420,MCULE-4521544958,EMOLS-id_317364895	705.827	HVXFMULKWXYHCR-TYFYUWPDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163675
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19052642	705.842	TUPHICRTBMTSCI-QLTSDVKISA-N	00000000101000110100000000000010000000000000000000000000	31-01-163676
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73511796	705.842	TUPHICRTBMTSCI-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-163677
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc(OC)c(C)c1	PC-id_137335226,MCULE-2707042555,ZINC22_1772702310,EMOLS-id_317475213	705.844	CPNYZAAYSFYLFB-JJLUAYLQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163678
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)COc1ccccc1C	MCULE-5942038050,PC-id_137345275,ZINC22_1772713920,EMOLS-id_317491631	705.844	UYVACGLPXWIMBR-BJQOOGECSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163679
CCOc1cccc(c1)C(=O)N1CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC(=O)[C@@H](NC(=O)CCC1)[C@@H](C)CC	EMOLS-id_317514925,PC-id_137344471,ZINC22_1772714380,MCULE-7740204200	705.844	ODDZOVVBSZTPTJ-SGQICDRISA-N	00000000100000110101000000000010000000000000000000000000	31-01-163680
s1c2ncc1C(=O)NC(C(C)C(=O)OC(C(=O)N(C(Cc1ccc(OC)cc1)C(=O)N(C(Cc1ccccc1)C(=O)NC2C)C)C)C)CCC	PC-id_78098821	705.863	HHDOKLOKIXWYLI-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163681
s1c2ncc1C(=O)N[C@@H]([C@@H](C)C(=O)O[C@H](C(=O)N([C@@H](Cc1ccc(OC)cc1)C(=O)N([C@@H](Cc1ccccc1)C(=O)N[C@H]2C)C)C)C)CCC	PC-id_71526762	705.863	HHDOKLOKIXWYLI-PGDBQHDYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163682
s1c2nc(C(=O)NC(C(C)C(=O)OC(C(=O)N(C(Cc3ccc(OC)cc3)C(=O)N(C(Cc3ccccc3)C(=O)NC2C)C)C)C)CCC)c1	PC-id_78104609	705.863	SQLKZQAFVMSOGN-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163683
s1c2nc(C(=O)N[C@@H]([C@@H](C)C(=O)O[C@H](C(=O)N([C@@H](Cc3ccc(OC)cc3)C(=O)N([C@@H](Cc3ccccc3)C(=O)N[C@H]2C)C)C)C)CCC)c1	PC-id_71541610	705.863	SQLKZQAFVMSOGN-MXMDPZFCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163684
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cccc(OC)c1)n2	PC-id_135094508,MCULE-2181184727,ZINC22_1704316284,EMOLS-id_317357444	705.867	LRAKMFVRYGBLHE-IZJLGPICSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163685
CC(C)(C)c1ccc2-c(c(cc2C(C)(C)C)/C(=C/C=C(c3c2cc[c+](cc3)C(C)(C)C)C(C)(C)C)/C=C(c2ccc(cc2)F)c2ccc(cc2)F)cc1	PC-id_136901977	705.979	SPHHHOHDXFMQPP-HFDYVGAYSA-N	00000011100000110110000000000010000000000000000000000000	31-01-163686
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)c(F)ccc1	PC-id_19321819	706.246	GKORPTZJFXDEPY-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163687
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)c(F)ccc1	PC-id_19321853	706.246	HTOZYQUKGHYNGG-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163688
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)c(F)ccc1	PC-id_73601216	706.246	GKORPTZJFXDEPY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163689
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)c(F)ccc1	PC-id_73601250	706.246	HTOZYQUKGHYNGG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163690
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)c(F)ccc1	PC-id_19321854	706.246	SPYBDPVXNVAQFM-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163691
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)c(F)ccc1	PC-id_73601251	706.246	SPYBDPVXNVAQFM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163692
O=c1n(c2-c(c1/C(=C/1C3=CC=CC=CC3=[N+](C1=O)C)/c1cc(/C(=C/3C4=CC=CC=CC4=[O+]C3=O)/c3c4-c(oc3=O)ccccc4)ccc1)ccccc2)C	PC-id_10629810	706.74	CZYWSBUNKPWIKV-UHFFFAOYSA-N	00000011100000110110000000000110000000000000000000000000	31-01-163693
O=c1n(c2-c(c1/C(=C
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O(C(=O)c1c2-c(c(c1)C(=C(C#N)C#N)C(=C(C#N)C#N)c1ccc(cc1)C#Cc1c3-c(cc(C(C)C)ccc3)c(c1)C(=O)OC)cccc(C(C)C)c2)C	PC-id_44249613	706.787	COWSSYUZLTUVPG-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163695
C1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](Nc2nc(cs2)CS1)CCCN=C(N)N)CC(=O)O)Cc1ccc(cc1)O)C(=O)N	PC-id_136748871	706.794	SBXPQZCSBKXGAU-MUGJNUQGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163696
C1[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](Nc2nc(cs2)CS1)Cc1ccc(cc1)O)CCCN=C(N)N)CC(=O)O)C(=O)N	PC-id_136210541	706.794	QLJMLRUXXYRUNH-MUGJNUQGSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163697
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cccnc1OC)n2	PC-id_135102246,EMOLS-id_317383814,MCULE-1692400151,ZINC22_1704317086	706.855	DXZCNYXYDUJGOL-XZQSQWLPSA-N	00000000100000111101000000000010000000000000000000000000	31-01-163698
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)C1CC1)n2	EMOLS-id_317371294,ZINC22_1704322568,PC-id_135116175,MCULE-7872220812	706.855	JCVUIQZWXYWSIA-NJTBCWBZSA-N	00100000100000100101000001100010000000000000000000000000	31-01-163699
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c3c([nH]c2)cccc3)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19054853	706.873	KGWBEHODWHOZPR-YQYKVWLJSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163700
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c3c([nH]c2)cccc3)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73514007	706.873	KGWBEHODWHOZPR-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163701
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c3c([nH]c2)cccc3)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19054788	706.873	UTSQLUSDLLQNSO-QXPFVDMISA-N	00000000100000110100000001100010000000000000000000000000	31-01-163702
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c3c([nH]c2)cccc3)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73513942	706.873	UTSQLUSDLLQNSO-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163703
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c3c([nH]c2)cccc3)/NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19054789	706.873	YNLKUPCOSHXLAU-QXPFVDMISA-N	00000000100000110100000001100010000000000000000000000000	31-01-163704
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c3c([nH]c2)cccc3)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_73513943	706.873	YNLKUPCOSHXLAU-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163705
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)/C(=C/c2c3c([nH]c2)cccc3)/NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19054823	706.873	XWAAONXDTREMGH-QXPFVDMISA-N	00000000100000110100000001100010000000000000000000000000	31-01-163706
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c3c([nH]c2)cccc3)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_73513977	706.873	XWAAONXDTREMGH-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163707
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C/C=C(C)/C)n2	ZINC22_1704324032,MCULE-4544197100,EMOLS-id_317338019,PC-id_135117425	706.898	LRTQIOUYYHPIFP-RVVSJWLRSA-N	00000000100000100101000001100010000000000000000000000000	31-01-163708
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O1CC(C1)(CC)COCCCCCCOc1cc2-c(c1)ccc(cc2)C#Cc1ccc2-c(cc(c2)CCCCCCOOCC2(COC2)CC)cc1	PC-id_58671974	706.949	RZYPSIWFULRYOY-UHFFFAOYSA-N	00001010100000000110000000000010000000000000000000000000	31-01-163711
O1CC(C1)(CC)COCCCCCCOc1cc2-c(c1)ccc(cc2)C#Cc1ccc2-c(cc(c2)OCCCCCCOCC2(COC2)CC)cc1	PC-id_21063084	706.949	NYFABGBXMOHCET-UHFFFAOYSA-N	00001010100000000110000000000010000000000000000000000000	31-01-163712
CCCCCCCCCCc1cc2c(cc(c1=O)CCCCCCCCCC)nc(n2Cc1ccc(cc1)c1ccccc1C(=O)O)CCCCC	PC-id_19102850,SCHEMBL9335510	707.039	OSOCVQOIORSMON-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-163713
c1(cc(oc1C)C)C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc([C@H](Cc3ccccc3)NC(=O)C1)n2	ZINC22_1704321507,PC-id_135115408,EMOLS-id_317334421,MCULE-3567388850	707.84	RETUIUKLFNBNAR-LEEWXGEHSA-N	00000000101000110101000000000010000000000000000000000000	31-01-163714
c1(cn2c(scc2)n1)C(=O)N1CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](c2nc(Cc3ccc(c(OC)c3)OC)nn2CC(=O)NCCC1)C	MCULE-2250472736,ZINC22_1772702785,PC-id_137337833,EMOLS-id_317457276	707.843	XOSFYVSCQYZQPN-ZQLNOWDWSA-N	00000000100000110101000100000010000000000000000000000000	31-01-163715
CC(C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)c2nc([C@@H](N(C1=O)C)CC(C)C)oc2)[C@@H](c1ccccc1)OCc1ccccc1)C	PC-id_101571033	707.858	VIONMWGAULFFJL-IIPIEMNJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163716
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccc(CCC)o1)n2	ZINC22_1704326551,PC-id_135120187,EMOLS-id_317349027,MCULE-3096225065	707.883	GSRXBOHKNQGSRS-IZJLGPICSA-N	00000000101000110101000000000010000000000000000000000000	31-01-163717
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)cccc1Cl	PC-id_19322512	708.674	MCLTZBATRDRALL-OVVQPSECSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163718
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)cccc1Cl	PC-id_73601909	708.674	MCLTZBATRDRALL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163719
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)ccc(Cl)c1	PC-id_19050728	708.674	SVHPUQKZWCCPHM-OGLMXYFKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163720
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)ccc(Cl)c1	PC-id_73509882	708.674	SVHPUQKZWCCPHM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163721
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)c(Cl)ccc1	PC-id_19050860	708.674	DQZBIKFCGGDUKM-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163722
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)c(Cl)ccc1	PC-id_73510014	708.674	DQZBIKFCGGDUKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163723
o1c(=O)c(C(c2cc(C(c3c4-c(n(c3=O)C)ccccc4)c3c4-c(n(c3=O)C)ccccc4)ccc2)c2c3-c(oc2=O)ccccc3)c2-c1ccccc2	PC-id_10508985	708.756	VCZHCSIGYLZORH-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163724
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O=c1oc2-c(c1C#Cc1cc(C#Cc3c(=O)oc4-c3cc(ccc4)C(C)C)cc(c1)C#Cc1c(=O)oc3-c1cc(ccc3)C(C)C)cc(ccc2)C(C)C	PC-id_101789614	708.796	DKDKPDGNMNQGCW-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163726
c1(c(CC)ocn1)C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc([C@H](Cc3ccccc3)NC(=O)C1)n2	PC-id_135094723,MCULE-4116442928,ZINC22_1704321469,EMOLS-id_317332881	708.828	PVFDXOQOZAOOSF-VBXWPYOKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163727
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)CCc1c(C)noc1C	EMOLS-id_317518452,MCULE-5114187172,PC-id_137334298,ZINC22_1772707258	708.847	ZRTHIWNTVCDCGQ-WBSLJOCPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163728
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s1c2c(CCCCC2)c(c1NC(=O)CSc1sc(SCC(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)nn1)C(=O)OCC	PC-id_4341187	708.955	GHECPONSLSYKLB-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163730
CCN1CCN(CC1)C(C(=O)N1CCCCC1)c1ccc(cc1)NC(=N/C(=CC)/c1cccc(c1C)NCc1cc2c(s1)CCCCC2)C(=O)C	PC-id_143781133	708.998	ATVSUBYKLWOLAL-TUHHEGBISA-N	00000000100010110101000000000010000000000000000000000000	31-01-163731
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c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)CCN)n2	EMOLS-id_317357978,PC-id_135095926,ZINC22_1704322853,MCULE-6147514714	709.859	QTEOAJQVJSUAPG-OUIFVKKZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-163736
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c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccc(C)s1)n2	ZINC22_1704322340,MCULE-2472358717,EMOLS-id_317351061,PC-id_135099651	709.879	MGJGVVVUNHYSOT-TYFYUWPDSA-N	00000000100100110101000000000010000000000000000000000000	31-01-163739
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1sccc1C)n2	PC-id_135114333,MCULE-7328394412,EMOLS-id_317328815,ZINC22_1704323342	709.879	GHHAJMSOKWFDGD-FVJFVQOASA-N	00000000100100110101000000000010000000000000000000000000	31-01-163740
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)Cc1cccs1)n2	PC-id_135112185,ZINC22_1704323847,EMOLS-id_317327273,MCULE-4003972097	709.879	HMUQQGQDYRERQN-XGBDYCOJSA-N	00000000100100110101000000000010000000000000000000000000	31-01-163741
CCOC(=O)c1cc(c2-c1ccc(cc2)C(=C1C=C(c2c1ccc(=[O+]C)cc2)C(C)(C)C)c1c2-c(ccc(cc2)OC)c(c1)C(C)(C)C)C(=O)OCC	PC-id_92007737	709.888	HPBYPNKZKPCCAI-UHFFFAOYSA-N	00000011100000000110000000000010000000000000000000000000	31-01-163742
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)C1CCCCCC1)n2	EMOLS-id_317370255,MCULE-3378162740,PC-id_135100937,ZINC22_1704318689	709.898	QZDJVJIGVOQXIM-NAJBNYMCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163743
C1(C)(C)C(C1(C)C)C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc([C@H](Cc3ccccc3)NC(=O)C1)n2	ZINC22_1704323470,PC-id_135103685,MCULE-3983876422,EMOLS-id_317386648	709.898	XBVXMEYJZSWFGO-FVJFVQOASA-N	00100000100000110101000000000010000000000000000000000000	31-01-163744
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19052741	709.917	QSINQFJTIQZQFN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163745
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19052676	709.917	RIQGEDISRYUOCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163746
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19053668	709.917	MGWMPJVXCQKRRT-TZHWMEPESA-N	00000000100000110100000000000010000000000000000000000000	31-01-163747
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19053800	709.917	OGEXMAPVWWGPKX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163748
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19053932	709.917	VJHIGDBNNXKOCS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163749
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73512822	709.917	MGWMPJVXCQKRRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163750
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19052677	709.917	DNPFVDNCAQKBFR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163751
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19052711	709.917	LQKZDOJVHOVAOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163752
[Sb](c1c(Cl)c2-c(c1Cl)ccccc2)(c1c(Cl)c2-c(c1Cl)ccccc2)c1c(Cl)c2-c(c1Cl)ccccc2	PC-id_86021052	709.918	VEPAWPQCISYWFW-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-163753
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccc(CC)s1)n2	PC-id_135120460,EMOLS-id_317342370,MCULE-6036191667	709.922	WCAFYIIXANGFPB-NBTXWSPXSA-N	00000000100100110101000000000010000000000000000000000000	31-01-163754
CCN1CCN(CC1)C(C(=O)N(CC)CC)c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_25234764,SCHEMBL1205336	709.943	SUGMWRAMNWFIOP-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-163755
Clc1ccc(nc1)Cn1c(OCCOC2=CC=CC(=C[C@H]2C)OC(F)(F)F)nc2c1C(=O)N(CCCOC1CCCCO1)C(=O)[C@@H](N2C)C	PC-id_144707082	710.14	KCIZOZMWAAOWAJ-OCTGXNKJSA-N	00000000100010101111000000000010000000000000000000000000	31-01-163756
CCCCCCOCC1(COc2c(sc(c2OC1)[Sn](C)(C)C)[Sn](C)(C)C)COCCCCCC	PC-id_90323777,SCHEMBL15929378	710.166	SGAIFQVTBVSMFQ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163757
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)Cc1ccccc1Cl	PC-id_137342147,MCULE-3296227498,ZINC22_1772714614,EMOLS-id_317515945	710.263	ZYJGLXOZNMUIGN-KZFQQWRHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163758
O=C([C@@H](Cc1cc(C)c(c(c1)Cl)N)NCCCC1CCC(CC1)CCC1Cc2cscc2CCCC1=O)N1CCN(CC1)C1CCNCC1	PC-id_143122694	710.455	LRQFUCSTQZGZDX-YUKXSCMXSA-N	00000000100010110101100000000010000000000000000000000000	31-01-163759
o1c(=O)c(C(c2cc(C(c3c4-c(oc3=O)ccccc4)c3c4-c(oc3=O)ccccc4)cc(c2)C=O)c2c3-c(oc2=O)ccccc3)c2-c1ccccc2	PC-id_10908691	710.683	IICBRXCBCOTWHK-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163760
CCCCCCCCCCCCOCC1(COCCCCCCCCCCCC)COc2c(OC1)c(sc2Br)Br	PC-id_118665969,SCHEMBL17443487	710.684	BJEYCLUAQJUJMU-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163761
Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)c1csc(c3ccc(C(F)(F)F)cc3)n1)CC(=O)N[C@H]2Cc1ccccc1	MCULE-3656988159,ZINC22_1704321608,PC-id_135091847,EMOLS-id_317347229	710.769	BTACEAJZDOTMEZ-RFLWCCGPSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163762
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1c(OC)ccc(F)c1F	EMOLS-id_317478528,PC-id_137337651,ZINC22_1772704020,MCULE-8974405882	710.771	LPGYLFZXMAXTII-ZQBNOCPASA-N	00000000100000110101000000000010000000000000000000000000	31-01-163763
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cccc(c1)n1cccn1	PC-id_137341683,MCULE-7840648966,EMOLS-id_317511597,ZINC22_1772714100	710.825	AOXHRKQSQSCFFM-AUDQHHLHSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163764
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)S(=O)(=O)c1ccc(c(C(=O)NC)c1)OC	EMOLS-id_317512827,PC-id_137337212,MCULE-8399937185,ZINC22_1772700515	710.843	BZIAUMUIBOTXKV-JOMNFKBKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163765
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)[C@@H](C)O)n2	PC-id_135102350,ZINC22_1704322388,EMOLS-id_317364121,MCULE-9215318522	710.843	GKQBKUXKINZCRQ-LHYMKVENSA-N	00000000100000100101000001100010000000000000000000000000	31-01-163766
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)COC)n2	EMOLS-id_317379486,PC-id_135091225,MCULE-3945412255,ZINC22_1704323389	710.843	UNJPLIFERYCATD-OUIFVKKZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-163767
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)C1CCN(CC1)C(=O)C	EMOLS-id_317483912,MCULE-2117657678,ZINC22_1772703899,PC-id_137334363	710.863	KRSNEGSTULJTCX-LOTJKCTMSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163768
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19051553	710.905	PXZVRRFTMIEQGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163769
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19051488	710.905	JPAILPYBBHBDBW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163770
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19051489	710.905	PDHOYMNWMVCCHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163771
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19051523	710.905	ZKULKXUFGJVRRD-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163772
s1c2CCCCCc2cc1C(=O)Nc1c(c(c2nc(Cc3ccc(C(N4CCN(CC4)CC)C(=O)N(CCO)C)cc3)c(=O)n(c2)C)ccc1)C	PC-id_58180681	710.928	MTFOXHUZADYVHK-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-163773
OCCN(C(=N)C(c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)N1CCN(CC1)CC)C	PC-id_143781163	710.931	QWSVAZXQNKTNPH-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-163774
CCCCCCCC(=O)SCCC=CC1CC(=O)NC(c2nc(cs2)C(=O)NC(=CC)C(=O)NC(C(=O)O1)C(C)C)Cc1ccc(cc1)C	PC-id_89591319	710.946	UHLHHLZIOHZHFK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163775
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@@H](Cc2ccc(cc2)C)c2scc(n2)C(=O)N/C(=CC)/C(=O)N[C@H](C(=O)O1)C(C)C	SCHEMBL14980478	710.946	UHLHHLZIOHZHFK-FTIBQWRUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163776
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3cc(OC)c(c(Cl)c3)OCC(=O)N)CCCNC(=O)Cn1nc(C)n2	ZINC22_1772714405,PC-id_137343515,EMOLS-id_317514912,MCULE-3629463617	711.251	OYVCVKMQJGPJOK-ZUKKLESISA-N	00000000100000110101000000000010000000000000000000000000	31-01-163777
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)Cc1nc([nH]c1Cl)CCCC	EMOLS-id_317487274,ZINC22_1772713839,PC-id_137339993,MCULE-9669459749	711.297	TZEJTHWAGYYUBQ-OXVGDENJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163778
Brc1c(OCc2c(Cl)cc(Cl)cc2)c(OCC)cc(/C=N/NC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_19658553	711.451	DHPDRLVJTAADGY-PUHLOBNQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163779
Brc1c(OCc2c(Cl)cc(Cl)cc2)c(OCC)cc(C=NNC(=O)C(=O)Nc2sc3c(CCCCC3)c2C(=O)OCC)c1	PC-id_73633057	711.451	DHPDRLVJTAADGY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163780
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OCCn1nncc1COC(=O)CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)COC(=O)C	PC-id_72985027	711.755	BXSOZOYCKDIUFA-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-163781
O1C(C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OCCn1nnc(c1)COC(=O)CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)COC(=O)C	PC-id_73022721	711.755	VLXOHLVKJNGHRD-UHFFFAOYSA-N	00000010100010000111000000000010000000000000000000000000	31-01-163782
O1[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OCCn1nncc1COC(=O)CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)COC(=O)C	PC-id_11498573	711.755	BXSOZOYCKDIUFA-KOABPKSUSA-N	00000010100010000111000000000010000000000000000000000000	31-01-163783
O1[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OCCn1nnc(c1)COC(=O)CCc1c2-c(cc(C(C)C)cc1)c(cc2)C)COC(=O)C	PC-id_11592856	711.755	VLXOHLVKJNGHRD-KOABPKSUSA-N	00000010100010000111000000000010000000000000000000000000	31-01-163784
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(cc1)c1cnco1	MCULE-8643623553,PC-id_137335427,ZINC22_1772705501,EMOLS-id_317470848	711.81	NLSZELULGQGYLE-BPXGCVMRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163785
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1onc(c2ccccc2)c1	EMOLS-id_317493679,PC-id_137339806,ZINC22_1772713060,MCULE-6246433057	711.81	BCYCZCSYXQXSLE-BPXGCVMRSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163786
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cc([nH]n1)c1ccccn1	PC-id_137337625,EMOLS-id_317471108,MCULE-4277082140,ZINC22_1772703241	711.813	DDOFMODFFTXYPL-QUKBAVLQSA-N	00000000100000111101100000000010000000000000000000000000	31-01-163787
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccc(cc1F)F)n2	MCULE-3082563728,EMOLS-id_317374116,PC-id_135090173,ZINC22_1704325924	711.822	ONWLQZQODCUJCC-XFOUTTHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163788
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)Cc1c2ccccc2[nH]c1C	ZINC22_1772713816,PC-id_137343862,EMOLS-id_317492128,MCULE-6404355790	711.853	SZUDJDYSBZNCRK-MZPAXQNMSA-N	00000000100000110101000001100010000000000000000000000000	31-01-163789
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)S(=O)(=O)c1ccccc1C	MCULE-5643995679,ZINC22_1772707580,PC-id_137335570,EMOLS-id_317502074	711.871	WDQIKQDOWNHPSZ-BGEGRKSBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163790
O1C(C(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCc2c3-c(c(cc3)C)cc(cc2)C(C)C)C1OC)CN(C(=O)CCC)C(=O)CCC	PC-id_73008434	711.881	YZNQCASWMABLJW-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-163791
O1C(C(OC(=O)C(C)C)C(OC(=O)C(C)C)C(OC(=O)CCc2c3-c(c(cc3)C)cc(cc2)C(C)C)C1OC)CN(C(=O)C(C)C)C(=O)C(C)C	PC-id_73044623	711.881	PMAMWKHTKKYIFG-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-163792
O1[C@@H]([C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H](OC(=O)CCc2c3-c(c(cc3)C)cc(cc2)C(C)C)[C@H]1OC)CN(C(=O)CCC)C(=O)CCC	PC-id_11563888	711.881	YZNQCASWMABLJW-NCWABUGJSA-N	00000010100010000110000000000010000000000000000000000000	31-01-163793
O1[C@@H]([C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H](OC(=O)CCc2c3-c(c(cc3)C)cc(cc2)C(C)C)[C@H]1OC)CN(C(=O)C(C)C)C(=O)C(C)C	PC-id_11657727	711.881	PMAMWKHTKKYIFG-MJLZXIRQSA-N	00000010100010000110000000000010000000000000000000000000	31-01-163794
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(OC)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19051686	711.889	JRMJJSIXHUDVNF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163795
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(OCC)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19052213	711.889	YOXFKGHBEKCRDK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163796
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(OCC)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19052148	711.889	BJMMVNBVQQLPFZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163797
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s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(F)cccc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19052348	713.88	AXZCPVWCECTVKE-SXBRIOAWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163860
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(F)cccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73511502	713.88	AXZCPVWCECTVKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163861
c12csc([C@H](C(C)C)NC(=O)CN(CC3CC3)C[C@H](Cc3ccccc3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC)NC(=O)[C@@H](C)NC1=O)n2	ZINC22_1704316235,MCULE-9729117253,PC-id_135108068,EMOLS-id_317360777	713.953	KXTVZQZFVGTHJM-WIDQKRBRSA-N	00100000100000110101000000000010000000000000000000000000	31-01-163862
C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)NCCC3=CSC(=N3)N(C[C@@H](C[C@@]2(C)O)C)C)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)OC)C)O)N(C)C	PC-id_146819643	714.424	SBUGCBYJPCQIQV-NWOPZFSXSA-N	00000000100010000101000000000010000000000000000000000000	31-01-163863
CCOC(=O)CN(C1CCN(C1)C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I)CC(=O)OCC	SCHEMBL4565233,PC-id_69095675	714.587	PODCFQZBFKVEFV-UHFFFAOYSA-N	00000010100000110100000000000010000000000000000000000000	31-01-163864
CCOC(=O)CN([C@@H]1CCN(C1)C(=O)c1c(sc2c1CC(C)(C)CNC2=O)Nc1ccc(cc1F)I)CC(=O)OCC	SCHEMBL4565230,PC-id_69095674	714.587	PODCFQZBFKVEFV-GOSISDBHSA-N	00000010100000110100000000000010000000000000000000000000	31-01-163865
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cc(C)nc2onc(C)c12	ZINC22_1772713852,EMOLS-id_317486496,PC-id_137341325,MCULE-4155514339	714.814	UKIZLMYQTKAULA-HJASLDBZSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163866
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccccc1C#N)n2	ZINC22_1704316916,MCULE-5160151872,PC-id_135112601,EMOLS-id_317326743	714.834	DSHILWHREXWZJU-NBTXWSPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163867
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2coc(c3ccccc3)n2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	PC-id_137337626,EMOLS-id_317471620,MCULE-6602041332,ZINC22_1772704708	714.854	KTRYAVLFLJWNJN-XUKQSAIQSA-N	00000000100000110101100000000010000000000000000000000000	31-01-163868
BrC(=CC1OC(=O)C=CC=C(CC(OC(=O)CC(NC(=O)OC(C(Cl)(Cl)Cl)(C)C)CC(c2nc(sc2)C1)C)C)C)C	PC-id_85384856	714.923	DTTOHEBEFWHJRG-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163869
Br/C(=C/[C@H]1OC(=O)C=CC=C(C[C@@H](OC(=O)C[C@H](NC(=O)OC(C(Cl)(Cl)Cl)(C)C)C[C@@H](c2nc(sc2)C1)C)C)C)/C	PC-id_11061553	714.923	DTTOHEBEFWHJRG-VHQHKTFMSA-N	00000000100000000111000000000010000000000000000000000000	31-01-163870
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)CCc1cc(Cl)no1	PC-id_137338131,ZINC22_1772705344,MCULE-4910330312,EMOLS-id_317489548	715.239	WLWJXVMNPGYSEQ-MUQQHEDISA-N	00000000100000110101000000000010000000000000000000000000	31-01-163871
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)Cn1c2ccccc2oc1=O	EMOLS-id_317462196,PC-id_137339961,MCULE-7068072381,ZINC22_1772713437	715.799	JMBNYGLTDPVMDZ-SWWRHANQSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163872
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cccc2C(=O)CCc12	PC-id_137342663,EMOLS-id_317462712,ZINC22_1772713919,MCULE-1632968482	715.838	WLSHJEICGQMMKG-FBPNTFGJSA-N	00000010100000110101000000001010000000000000000000000000	31-01-163873
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cc2CCCc2nc1OC	MCULE-4133849215,PC-id_137342538,ZINC22_1772713800,EMOLS-id_317499055	715.842	SOXKLXVLKMVMMS-VUECSZSYSA-N	00000010100000110101000000001010000000000000000000000000	31-01-163874
c1(C(=O)N2CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](c3nc(Cc4ccc(c(OC)c4)OC)nn3CC(=O)NCCC2)C)cn2c(cccc2C)n1	ZINC22_1772705690,MCULE-1975060186,EMOLS-id_317491333,PC-id_137334370	715.842	YXQPHSQCEWJKTQ-JJLUAYLQSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163875
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc2n(C)cnc2c1	MCULE-8937400513,EMOLS-id_317515883,PC-id_137335701,ZINC22_1772700710	715.842	DOVYLNCLBHHGQO-KZFQQWRHSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163876
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)Cn1ncc2ccccc12	MCULE-5756012566,PC-id_137341147,EMOLS-id_317493925,ZINC22_1772713624	715.842	PQJLLBVRECBUDT-LSJJIYBBSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163877
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cc3c(cccc3)o1)n2	ZINC22_1704324770,EMOLS-id_317334697,PC-id_135119064,MCULE-9073615755	715.862	SSJGCKBCBPPYKG-AURLEMJNSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163878
CCc1ncc(S(=O)(=O)N2CCCNC(=O)Cn3nc(Cc4ccc(OC)c(OC)c4)nc3[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CCC2)[nH]1	PC-id_137342314,ZINC22_1772713719,MCULE-4129318971,EMOLS-id_317500834	715.863	RANVVUGCXNJKPY-WPHQEQLXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163879
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1ccc2c(c1)sc(n2)C	MCULE-1255075322,PC-id_137342974,ZINC22_1772714124,EMOLS-id_317493928	715.865	ZSDPLYNENUOKAR-PZVVFFFBSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163880
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(CCCCC2)c1C(=O)OCCC	PC-id_3276066	715.876	FMZPKDXFLYTABL-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-163881
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(CCCCC2)c1C(=O)OC(C)C	PC-id_3286950	715.876	CYHHMPNPWKPNOH-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-163882
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(CCCCCC2)c1C(=O)OCC	PC-id_3264412	715.876	BAXZPMMECCXCSC-UHFFFAOYSA-N	00000000100000000100000000000010000000000000000000000000	31-01-163883
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(c3ccccc3)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053368	715.88	LNJDPDPDRSRQLY-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-163884
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19321786	715.88	ULBVVZRYOJCJGU-IVQJCJPDSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163885
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73601183	715.88	ULBVVZRYOJCJGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163886
CC1C(C(C(OC2=C(NC(=C2OC1(N)N)C(C)C)C(C)C)(I)I)C)(N)I=C	PC-id_164152174	715.958	ZFPPXLRPCAABFJ-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-163887
Clc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)CC)ccc2)cc1	PC-id_19322282	716.308	SLFHUHZZYBYJNE-JBASAIQMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163888
Clc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)CC)ccc2)cc1	PC-id_73601679	716.308	SLFHUHZZYBYJNE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163889
Clc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)C)ccc2)cc1	PC-id_19322218	716.308	VXQJXCAVLGFOPW-DFKUXCBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163890
Clc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)CC)ccc2)cc1	PC-id_19322283	716.308	UHRQFETZQPZMJU-JBASAIQMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163891
Clc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)C)ccc2)cc1	PC-id_73601615	716.308	VXQJXCAVLGFOPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163892
Clc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)CC)ccc2)cc1	PC-id_73601680	716.308	UHRQFETZQPZMJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163893
Clc1cc(/C=C(NC(=O)c2ccccc2)/C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)CC)ccc2)ccc1	PC-id_19322150	716.308	VDNYCVPUHAVIIB-SWKFRHMKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163894
Clc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)CC)ccc2)ccc1	PC-id_73601547	716.308	VDNYCVPUHAVIIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163895
Clc1cc(/C=C(NC(=O)c2ccccc2)/C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)C)ccc2)ccc1	PC-id_19322086	716.308	XACOJKCWYLDGDY-VAMRJTSQSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163896
Clc1cc(/C=C(NC(=O)c2ccccc2)/C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)CC)ccc2)ccc1	PC-id_19322151	716.308	VSBHOWMBRUXTMQ-SWKFRHMKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163897
Clc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)C)ccc2)ccc1	PC-id_73601483	716.308	XACOJKCWYLDGDY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163898
Clc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)CC)ccc2)ccc1	PC-id_73601548	716.308	VSBHOWMBRUXTMQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163899
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)CC)ccc2)cccc1	PC-id_19322018	716.308	OXHFBFDNNAZYCR-JBASAIQMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163900
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)CC)ccc2)cccc1	PC-id_73601415	716.308	OXHFBFDNNAZYCR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163901
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)C)ccc2)cccc1	PC-id_19321954	716.308	HPDORFKCMLRHRO-DFKUXCBWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163902
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)CC)ccc2)cccc1	PC-id_19322019	716.308	MPNYIOYVTCHPNC-JBASAIQMSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163903
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)C)ccc2)cccc1	PC-id_73601351	716.308	HPDORFKCMLRHRO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163904
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)CC)ccc2)cccc1	PC-id_73601416	716.308	MPNYIOYVTCHPNC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163905
COC(=O)c1cc(c2-c1ccc(cc2)C#Cc1cc(c2-c1ccc(cc2)C(C)(C)C)C#Cc1ccc2-c(cc1)c(cc2C(=O)OC)C(=O)OC)C(=O)OC	PC-id_102338051	716.773	SISORNLTPWEPRT-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-163906
c12cc(CN3CCNC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c4noc(C3)c4)c(nc1CN(C(C)C)C2=O)OC	MCULE-1629060191,PC-id_137344265,ZINC22_1772713652,EMOLS-id_317460656	716.826	OAPVXEUKQGSYEB-HCLMJZEPSA-N	00000010100000110101000000001010000000000000000000000000	31-01-163907
c1(C(=O)N2CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](c3nc(Cc4ccc(c(OC)c4)OC)nn3CC(=O)NCCC2)C)c(C)nn2ncccc12	ZINC22_1772714048,PC-id_137344514,MCULE-2312780079,EMOLS-id_317462704	716.83	ZQCSOCBGZXOGHV-VPSFTVEISA-N	00000000100000110101000001000010000000000000000000000000	31-01-163908
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)S(=O)(=O)c1c(C)noc1C	ZINC22_1772713890,PC-id_137341781,MCULE-4444424088,EMOLS-id_317483940	716.848	WEIYRBHOGJZNEU-QCAMCUJPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163909
C(C(=O)Nc1c(C#N)c2c(CCCCC2)s1)(C)Sc1ccc(cc1)NC(=O)C(=Cc1ccc(o1)c1c(OC)cccc1)NC(=O)c1ccccc1	MCULE-9436194144,PC-id_23101799	716.868	RBYQZNUOLCKMDR-UHFFFAOYSA-N	00000000101000110100100000000010000000000000000000000000	31-01-163910
COc1ccccc1c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(SC(C)C(=O)Nc3sc4CCCCCc4c3C#N)cc2)o1	EMOLS-id_50244927	716.868	RBYQZNUOLCKMDR-GZZLJNBRSA-N	00000000101000110100100000000010000000000000000000000000	31-01-163911
COc1ccccc1c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)o1	PC-id_99665174,ZINC22_150426754	716.868	RBYQZNUOLCKMDR-IGKMFZNPSA-N	00000000101000110100100000000010000000000000000000000000	31-01-163912
COc1ccccc1c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)o1	ZINC22_150426759,PC-id_99665177	716.868	RBYQZNUOLCKMDR-LJISFOLRSA-N	00000000101000110100100000000010000000000000000000000000	31-01-163913
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cccnc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19053302	716.868	RFIUSFCGPMFUBL-SJIPCVTESA-N	00000000100000111100000000000010000000000000000000000000	31-01-163914
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cccnc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73512456	716.868	RFIUSFCGPMFUBL-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-163915
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3ccc(cc3)OCC(=O)N3CCOCC3)CCCNC(=O)Cn1nc(C)n2	PC-id_137335474,ZINC22_1772705468,EMOLS-id_317501060,MCULE-3663520495	716.869	XKPIDDWDMCTENZ-KUFVUHJUSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163916
c12csc([C@H](C(C)C)NC(=O)CN(C[C@H](Cc3ccccc3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC)NC(=O)[C@@H](C)NC1=O)C(=O)CN)n2	EMOLS-id_317363093,PC-id_135095963,MCULE-9089416530	716.914	DQSLJIMLMXUNOG-PBXXYNGLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163917
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(Cc3cnc(nc3)N3CCOCC3)CCNC(=O)Cn1nc(C)n2	EMOLS-id_317483180,PC-id_137338966,ZINC22_1772713246,MCULE-6591550810	717.861	DQGAXJBPRIDFLC-BVKYAAJPSA-N	00000000100010110101100000000010000000000000000000000000	31-01-163918
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)Cc1ccc(cc1)C)n2	ZINC22_1704335960,PC-id_135089106,MCULE-7434274262,EMOLS-id_317326016	717.877	JJXKMYBTAIVFJZ-NOLDKFEQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163919
c12csc([C@H](C(C)C)NC(=O)CN(C[C@H](Cc3ccccc3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC)NC(=O)[C@@H](C)NC1=O)C(=O)CO)n2	ZINC22_1704318107,PC-id_135104441,EMOLS-id_317326994,MCULE-2222528293	717.899	OCFYTDPYTQWCKM-PBXXYNGLSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163920
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)S(=O)(=O)c1ccc(C)s1	ZINC22_1772700995,MCULE-6615483457,EMOLS-id_317482354,PC-id_137336437	717.899	AKTJYHXVNYBPGC-JYTFDMTESA-N	00000000100100110101000000000010000000000000000000000000	31-01-163921
Clc1c(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)CC)ccc2)c(c(Cl)c(Cl)c1Cl)C(=O)O	PC-id_18897762	718.495	KBISQNSRVHHRKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163922
Clc1c(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)C)ccc2)c(c(Cl)c(Cl)c1Cl)C(=O)O	PC-id_18897698	718.495	ZQYCEEPNHHPJKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163923
Clc1c(C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)CC)ccc2)c(c(Cl)c(Cl)c1Cl)C(=O)O	PC-id_18897763	718.495	DAXIZXQGFSAJML-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163924
Brc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)cc1	PC-id_19054556	718.68	ALONRUPYHUDMOV-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163925
Brc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)cc1	PC-id_73513710	718.68	ALONRUPYHUDMOV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163926
Brc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)ccc1	PC-id_19054424	718.68	SFPYGQAJDYKRPQ-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163927
Brc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)ccc2)ccc1	PC-id_73513578	718.68	SFPYGQAJDYKRPQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163928
O=C1Cn2nnc(c2)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N1)CCCN=C(NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)N)CC(=O)O	PC-id_102391840	718.781	AMWGGSCZRKZWJW-SFTDATJTSA-N	00000010100000100101000000001010000000000000000000000000	31-01-163929
COc1cc(c2-c1ccccc2)N=Nc1ccc(cc1)C(c1ccccc1)OC(c1ccc(cc1)N=Nc1cc(c2-c1ccccc2)OC)c1ccccc1	PC-id_101023277	718.84	NPDRNURHICNWIP-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163930
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc2scnc2c1	ZINC22_1772714498,EMOLS-id_317514663,PC-id_137340642,MCULE-1813417382	718.865	TVSKDWNIJISLRQ-KVSUUNMHSA-N	00000000100000110101000001000010000000000000000000000000	31-01-163931
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)S(=O)(=O)N1CCC(C)CC1	EMOLS-id_317506976,ZINC22_1772714615,PC-id_137345832,MCULE-2850108204	718.907	ZYQHXQAOGWWJEU-UNTHUGQZSA-N	00000000100010110101000000000010000000000000000000000000	31-01-163932
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)Cc1ccc2OCOc2c1	ZINC22_1772702582,MCULE-2161152826,PC-id_137337567,EMOLS-id_317461640	719.827	DBYYPSIWRHIWDN-FBPNTFGJSA-N	00000010100000110101000000001010000000000000000000000000	31-01-163933
COc1ccc(cc1S(=O)(=O)N1CCCNC(=O)Cn2nc(C)nc2[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC1)C(C)C)n1cccn1	PC-id_137336300,ZINC22_1772703964,EMOLS-id_317520759,MCULE-3953088252	719.854	JGHOXNCFBNTYRI-YDYNHKSESA-N	00000000100000110101100000000010000000000000000000000000	31-01-163934
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19052643	719.868	CRMJFYMWXBDOHM-MKCFTUBBSA-N	00000000101000110100000000000010000000000000000000000000	31-01-163935
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_73511797	719.868	CRMJFYMWXBDOHM-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-163936
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2occc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19052644	719.868	BHTRBJVPFWISOM-MKCFTUBBSA-N	00000000101000110100000000000010000000000000000000000000	31-01-163937
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2occc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73511798	719.868	BHTRBJVPFWISOM-UHFFFAOYSA-N	00000000101000110100000000000010000000000000000000000000	31-01-163938
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)CCc1ccc(OC)cc1	EMOLS-id_317491113,MCULE-2468313264,ZINC22_1772713091,PC-id_137341605	719.87	CLJSAYRQJRUYTK-QOCGDCEFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163939
CCOc1ccc(CC(=O)N2CCCNC(=O)Cn3nc(Cc4ccc(OC)c(OC)c4)nc3[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CCC2)cc1	MCULE-7307833420,EMOLS-id_317505446,PC-id_137339838,ZINC22_1772713555	719.87	PEEOQLVEMPIKSD-QOCGDCEFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163940
c1(C(=O)N2CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](c3nc(Cc4ccc(c(OC)c4)OC)nn3CC(=O)NCCC2)C)c2CCCCc2nn1C	PC-id_137344095,ZINC22_1772713153,MCULE-8733131127,EMOLS-id_317491629	719.873	GGXGFYIWVWRWGH-LOTJKCTMSA-N	00000000100010110101000000010010000000000000000000000000	31-01-163941
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)c(F)ccc1	PC-id_19321820	720.272	PKSVBBZAIGKVRS-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163942
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)c(F)ccc1	PC-id_19321885	720.272	JJHWJVBDNJQHFQ-XHLNEMQHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163943
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)c(F)ccc1	PC-id_73601217	720.272	PKSVBBZAIGKVRS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163944
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)c(F)ccc1	PC-id_73601282	720.272	JJHWJVBDNJQHFQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163945
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)c(F)ccc1	PC-id_19321821	720.272	AFIYPXKDJFRNJE-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163946
s1c(c2OCC(COc2c1)(COCCCCCC)COCCCCCC)C=C(c1c(OCOCC(CCCC)CC)cc(cc1)C(=C)C#N)C#N	PC-id_86259632	721.001	ONWVKIHWWWBDQT-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163962
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)c(F)ccc1	PC-id_19321855	720.272	QIYXMZLNVZZRGX-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163947
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)c(F)ccc1	PC-id_73601218	720.272	AFIYPXKDJFRNJE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163948
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)c(F)ccc1	PC-id_73601252	720.272	QIYXMZLNVZZRGX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163949
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1onc(N2CCOCC2)c1	MCULE-8528785551,ZINC22_1772707670,PC-id_137335563,EMOLS-id_317501562	720.818	XDGQCBHCBDIWSR-OXVGDENJSA-N	00000000100010110101100000000010000000000000000000000000	31-01-163950
c1(C(=O)N2CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](c3nc(Cc4ccc(c(OC)c4)OC)nn3CC(=O)NCCC2)C)nn2c(C(=O)NCC2)c1	EMOLS-id_317514144,PC-id_137343275,MCULE-3182938012,ZINC22_1772714299	720.818	KAHQTYSHMONYSS-WPHQEQLXSA-N	00000000100010110101000000010010000000000000000000000000	31-01-163951
c1(C(=O)N2CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](c3nc(Cc4ccc(c(OC)c4)OC)nn3CC(=O)NCCC2)C)nnc2CCCCCn12	ZINC22_1772714289,MCULE-4430281212,EMOLS-id_317513633,PC-id_137342137	720.861	JNNWIRMRCIQJKM-XNSHOJTPSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163952
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)C1(C)CC1)n2	EMOLS-id_317385358,ZINC22_1704319250,MCULE-4130578813,PC-id_135111282	720.881	SZFDNTYMIOJHQX-WDDWZANVSA-N	00100000100000100101000001100010000000000000000000000000	31-01-163953
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)C1CCC1)n2	ZINC22_1704316642,EMOLS-id_317356680,MCULE-7911625984,PC-id_135098559	720.881	YLPHIEBBXJIUEL-QLCOJLISSA-N	00001000100000100101000001100010000000000000000000000000	31-01-163954
O(CCCCCCOC(=O)C=C)c1cc2-c(c1)ccc(cc2)C#Cc1ccc(C#Cc2ccc3-c(cc(OCCCCCCOOCC=C)c3)cc2)cc1	PC-id_21063100	720.891	MZYZUAINMVNBAY-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-163955
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c3c([nH]c2)cccc3)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19054854	720.899	GUXCSUCVCHJAMK-JDCMOKTRSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163956
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c3c([nH]c2)cccc3)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73514008	720.899	GUXCSUCVCHJAMK-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163957
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c3c([nH]c2)cccc3)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19054855	720.899	QDJHMABLVMENPX-JDCMOKTRSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163958
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c3c([nH]c2)cccc3)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_73514009	720.899	QDJHMABLVMENPX-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163959
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c3c([nH]c2)cccc3)/NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19054790	720.899	QTOCKRZKUFARKY-NVMPUMLXSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163960
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c3c([nH]c2)cccc3)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_73513944	720.899	QTOCKRZKUFARKY-UHFFFAOYSA-N	00000000100000110100000001100010000000000000000000000000	31-01-163961
CCCCCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(c(=O)c(c2)CCCCCCCCCC)CCCCCCCCCC	SCHEMBL9339351,PC-id_19102870	721.065	MBTFWPWAQVTYHJ-UHFFFAOYSA-N	00000000100000110111100000000010000000000000000000000000	31-01-163963
C/C=CC=C(C(=C(/c1ccc(cc1)OCCN(C)C)c1cccc(c1)OC(=O)[C@H](c1ccccc1Cl)N1CCCc2c(CC1)ccs2)CC)/C=C	PC-id_144195735	721.389	BOXWYNWHTOFRHJ-ZRWCFUFHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163964
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c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccc(c(C)c1)F)n2	PC-id_135091926,ZINC22_1704324076,MCULE-5936354998,EMOLS-id_317367707	721.841	WNKUYWUVGQOZFZ-NBTXWSPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163966
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1cc(C)cc(F)c1)n2	EMOLS-id_317387451,MCULE-6778839855,PC-id_135087909,ZINC22_1704336321	721.841	LPMAKSYAWDTVIL-NBTXWSPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163967
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1cc(F)ccc1C)n2	PC-id_135107732,MCULE-9728963617,ZINC22_1704316908,EMOLS-id_317384845	721.841	DMFHICRFUAIZTR-NBTXWSPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163968
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)Cc1ccc(cc1)F)n2	ZINC22_1704316398,EMOLS-id_317365634,MCULE-4329180831,PC-id_135098915	721.841	OIJVAHHCJSYYIY-HFIHNMJYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163969
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2cc3OCOc3c(OC)c2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	MCULE-3925145753,PC-id_137345319,EMOLS-id_317497512,ZINC22_1772713538	721.843	OZUHYFBWOFNLDG-KZFQQWRHSA-N	00000010100000110101000000001010000000000000000000000000	31-01-163970
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cc(OC)ccc1OC	ZINC22_1772714419,MCULE-2129404174,PC-id_137338890,EMOLS-id_317516708	721.843	POQBTDDYRAVEST-KZFQQWRHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163971
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)Cn1c(C)cc(C)nc1=O	MCULE-6362054665,EMOLS-id_317458610,ZINC22_1772713781,PC-id_137343302	721.846	SJCGJBACDNYPDK-OWVWTFTDSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163972
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)CCn1c(C)ccn1)n2	MCULE-7883703632,EMOLS-id_317331878,ZINC22_1704325195,PC-id_135094032	721.869	ZSRUOSPUYPDCOH-LWYAIONJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163973
c1(cc(nn1CC)C)C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc([C@H](Cc3ccccc3)NC(=O)C1)n2	EMOLS-id_317326492,PC-id_135114230,ZINC22_1704318632,MCULE-3349046775	721.869	OOKRRQUMSPVLCO-QDFXYHSTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163974
c1(cc(nn1C)CC)C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc([C@H](Cc3ccccc3)NC(=O)C1)n2	ZINC22_1704323398,PC-id_135095670,MCULE-5077871270,EMOLS-id_317389725	721.869	VDXCXNWETGFILA-XGBDYCOJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163975
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_73601184	729.906	DQDNHKFBSSLQES-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164125
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)Cc1cn2ccsc2n1	MCULE-7456237090,PC-id_137338777,ZINC22_1772713500,EMOLS-id_317494945	721.869	OGNTVKNHIVCNCL-YBBGPBPVSA-N	00000000100000110101000100000010000000000000000000000000	31-01-163976
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)CCc1c(C)nn(C)c1C	PC-id_137343713,EMOLS-id_317508520,ZINC22_1772714187,MCULE-4850419880	721.889	DWXCUFDJOQUNQP-RIDNUJAISA-N	00000000100000110101000000000010000000000000000000000000	31-01-163977
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19053170	721.907	ADUCXUGZECRMOI-VAMRJTSQSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163978
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73512324	721.907	ADUCXUGZECRMOI-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163979
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19053566	721.907	DIOBPRSMMKCLFM-QLTSDVKISA-N	00000000100100110100000000000010000000000000000000000000	31-01-163980
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73512720	721.907	DIOBPRSMMKCLFM-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-163981
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cc([nH]n1)C(C)(C)C)n2	PC-id_135118440,ZINC22_1704326665,MCULE-6112479299,EMOLS-id_317344686	721.912	KXKOFXCJAFOJQU-CSYFSRKCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163982
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cccc(c1)SC)n2	ZINC22_1704316632,PC-id_135090517,MCULE-7687131593,EMOLS-id_317358730	721.932	XYSANIAVOISZDR-IZJLGPICSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163983
COc1cc(Cl)c(cc1Cl)S(=O)(=O)N1CCCNC(=O)Cn2nc(C)nc2[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC1)C(C)C	ZINC22_1772700804,EMOLS-id_317513336,MCULE-9687138539,PC-id_137336020	722.682	FDBHFVRZJLGDFD-RNAHPLFWSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163984
COc1c(Cl)c(Cl)ccc1S(=O)(=O)N1CCCNC(=O)Cn2nc(C)nc2[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC1)C(C)C	ZINC22_1800430538,PC-id_139599229,MCULE-9588204902,EMOLS-id_323889561	722.682	QESFSYSADHTYTC-GIGWZHCTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-163985
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)cccc1Cl	PC-id_19322479	722.7	CPLCEICSJMMQKC-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163986
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)cccc1Cl	PC-id_19322513	722.7	QXAIDSHBULFIJG-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163987
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)cccc1Cl	PC-id_73601876	722.7	CPLCEICSJMMQKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163988
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)cccc1Cl	PC-id_73601910	722.7	QXAIDSHBULFIJG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163989
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)ccc(Cl)c1	PC-id_19050729	722.7	QKNAEUKACMRWKM-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163990
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)ccc(Cl)c1	PC-id_19322611	722.7	BKHKELAJEQUMDE-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163991
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)ccc(Cl)c1	PC-id_73509883	722.7	QKNAEUKACMRWKM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163992
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)ccc(Cl)c1	PC-id_73602008	722.7	BKHKELAJEQUMDE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163993
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)c(Cl)ccc1	PC-id_19050827	722.7	KYJUIVCNFJXXQM-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163994
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)c(Cl)ccc1	PC-id_19050861	722.7	TXUMZMIDZYIEJL-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163995
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)c(Cl)ccc1	PC-id_73509981	722.7	KYJUIVCNFJXXQM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163996
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)ccc2)c(Cl)ccc1	PC-id_73510015	722.7	TXUMZMIDZYIEJL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163997
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)cccc1Cl	PC-id_19322514	722.7	SBQRWTLYIIIKCQ-TURZUDJPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163998
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)cccc1Cl	PC-id_73601911	722.7	SBQRWTLYIIIKCQ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-163999
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)ccc(Cl)c1	PC-id_19050730	722.7	QINQDNJSWNVMHU-RDRPBHBLSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164000
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)ccc(Cl)c1	PC-id_73509884	722.7	QINQDNJSWNVMHU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164001
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)c(Cl)ccc1	PC-id_19050862	722.7	WYHYZPRMGIIKKN-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164002
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)ccc2)c(Cl)ccc1	PC-id_73510016	722.7	WYHYZPRMGIIKKN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164003
CSC=N/C=C(/COC(=O)N[C@H]([C@@H](CN(S(=O)(=O)C1=Cc2oc(nc2CC=C1)NC(=O)c1ccncc1)CC(C)C)O)Cc1ccccc1)C	PC-id_142175516	722.874	DAJPSPRTWGLBBA-ZWZASORHSA-N	00000000100000111111000000000010000000000000000000000000	31-01-164004
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(Cc3cnc(N4CCOCC4)s3)CCNC(=O)Cn1nc(C)n2	PC-id_137335478,EMOLS-id_317514859,MCULE-5761157569,ZINC22_1772701586	722.901	LLCCJTOQHFWCSE-UTVTVZQCSA-N	00000000100010110101100000000010000000000000000000000000	31-01-164005
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(C(=O)COc3ccc(cc3C)Cl)CCNC(=O)Cn1nc(C)n2	EMOLS-id_317491371,ZINC22_1772713156,MCULE-7342823739,PC-id_137342964	723.261	GKJGCHAHAVGRFK-MQCRFUQHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164006
c1(C(=O)N2CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](c3nc(Cc4ccc(c(OC)c4)OC)nn3CC(=O)NCCC2)C)cc(=O)n(c(=O)n1C)C	PC-id_137338380,MCULE-5609414356,ZINC22_1772705891,EMOLS-id_317497737	723.819	CNJADPZQSDYPPV-WPHQEQLXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164007
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1c(cccc1F)OC)n2	EMOLS-id_317347737,ZINC22_1704321809,PC-id_135110793,MCULE-6017944420	723.857	FXYFDQKYJPCXFO-HFIHNMJYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164008
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccc(cc1OC)F)n2	EMOLS-id_317351835,PC-id_135109495,ZINC22_1704321629,MCULE-4606233225	723.857	CSHATOORGNGUPL-HFIHNMJYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164009
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccc(c(OC)c1)F)n2	MCULE-5589491345,PC-id_135119268,ZINC22_1704327341,EMOLS-id_317343912	723.857	RSNFEAXMTZRAQM-HFIHNMJYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164010
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cc(OC)ccc1F)n2	MCULE-9817119202,ZINC22_1704324453,EMOLS-id_317330859,PC-id_135120661	723.857	QZHZGTZOEZWDSZ-OEPDXNDMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164011
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)CN(C)C)n2	PC-id_135103887,EMOLS-id_317362827,MCULE-8516777467,ZINC22_1704316949	723.885	DJSYPJJIDSXZOX-WDDWZANVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164012
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1csc(CC)c1)n2	ZINC22_1704317981,EMOLS-id_317384327,PC-id_135103106,MCULE-8252213712	723.905	LWDKFAROWOILGQ-LEEWXGEHSA-N	00000000100100110101000000000010000000000000000000000000	31-01-164013
CCN1CCN(CC1)C(C(=O)N1CCOCC1)c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2	PC-id_25234286,SCHEMBL1204272	723.927	BUFBQUWNIAYJIG-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-164014
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19052742	723.943	KAPIRKCWVRNPEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164015
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19052743	723.943	FQDHIDUKLSSCQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164016
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19052678	723.943	ISSWDABKAKKAFW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164017
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccccc1Cl)n2	MCULE-9685133212,ZINC22_1704317978,EMOLS-id_317371277,PC-id_135116844	724.269	MBXOJCHPWBRWGM-LEEWXGEHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164018
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccc(cc1)Cl)n2	ZINC22_1704318024,EMOLS-id_317372803,MCULE-1663521203,PC-id_135103052	724.269	NIDHRJDCBWTXMA-LEEWXGEHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164019
c1(C(=O)C)c(C)n(nc1C)CCC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2noc(C1)c2	MCULE-5078517594,PC-id_137338637,ZINC22_1772714226,EMOLS-id_317508012	724.805	GRNHVAKBKVINIV-IFDYJGHISA-N	00000000100000110101000000000010000000000000000000000000	31-01-164020
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cnn(Cc2ccccc2)c1	MCULE-9723425957,ZINC22_1772713161,EMOLS-id_317482916,PC-id_137341567	724.852	AZRJUNCRKSZPCF-ZHNVJZHNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164021
c1(C(=O)N2CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)c3nc(C)nn3CC(=O)NCC2)cc(nn1C)c1ccccc1	PC-id_137335987,EMOLS-id_317486719,ZINC22_1772700359,MCULE-3036394356	724.852	CGKHFOUJMCMGID-JGKRUJSYSA-N	00000000100000110101100000000010000000000000000000000000	31-01-164022
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)CCOC)n2	EMOLS-id_317362060,MCULE-6584180212,ZINC22_1704316299,PC-id_135092963	724.87	LXBZXMMEWDNMHD-WDDWZANVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164023
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)COCC)n2	MCULE-3544243223,PC-id_135106019,ZINC22_1704321882,EMOLS-id_317361042	724.87	HGDMFOQTSCOLJD-WDDWZANVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164024
Cc1cc(ccc1)[N+](=Cc1c2-c(c(ccc(c2)C(C)C)C)c(c1)C=Cc1cc(c2-c1c(ccc(c2)C(C)C)C)C=[N+](c1cc(ccc1)S(=O)(=O)O)[O-])[O-]	PC-id_88955532	724.906	ALXBKARGUDFUDD-UHFFFAOYSA-N	00000010100000110110000000000010000000000000000000000000	31-01-164025
Cc1cccc(c1)/[N+](=C/c1cc(c2-c1cc(ccc2C)C(C)C)/C=C/c1cc(c2-c1c(C)ccc(c2)C(C)C)/C=[N+](/c1cccc(c1)S(=O)(=O)O)[O-])/[O-]	SCHEMBL12743847	724.906	ALXBKARGUDFUDD-FABGDMGPSA-N	00000010100000110110000000000010000000000000000000000000	31-01-164026
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)C1CCN(CC1)CC)n2	EMOLS-id_317365393,PC-id_135092250,MCULE-8687745336,ZINC22_1704321988	724.913	AHRLRZIVIBNYFG-NAJBNYMCSA-N	00000000100010110101000000000010000000000000000000000000	31-01-164027
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)CN1CCCCCC1)n2	EMOLS-id_317339030,ZINC22_1704321677,MCULE-4358116904,PC-id_135105250	724.913	VCEWGSYRXSSOSJ-UUKVNIOTSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164028
c1(c(C)nc(C(C)C)s1)C(=O)N1CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](c2nc(Cc3ccc(c(OC)c3)OC)nn2CC(=O)NCCC1)C	EMOLS-id_317507238,MCULE-5658730378,PC-id_137342342,ZINC22_1772714201	724.913	FNXUMQCNFQBUMF-DEDGKJITSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164029
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19051554	724.931	RXOXESKXPOZGRT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164030
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19051555	724.931	UYXPYQSSAFYOKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164031
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19051490	724.931	YXJJRXRLGNXMIB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164032
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1scc(C(C)C)n1)n2	ZINC22_1704316217,PC-id_135105728,MCULE-5405297719,EMOLS-id_317358981	724.936	KUKGZDHSZIOMBB-TXUMSWNFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164033
[Si](OC1c2c(CC(CC(OCc3ccc(OC)cc3)c3ccoc3)(C(=O)CC1)C(=O)OC)c(oc2)CC1(OCC(CO1)(C)C)C)(C(C)(C)C)(C)C	PC-id_72809327	724.952	GGHSPKAJSZWAKC-UHFFFAOYSA-N	00000000101010110101000000000010000000000000000000000000	31-01-164034
[Si](O[C@@H]1c2c(C[C@@](C[C@H](OCc3ccc(OC)cc3)c3ccoc3)(C(=O)CC1)C(=O)OC)c(oc2)CC1(OCC(CO1)(C)C)C)(C(C)(C)C)(C)C	PC-id_11343092	724.952	GGHSPKAJSZWAKC-JWVUEBBWSA-N	00000000101010110101000000000010000000000000000000000000	31-01-164035
[Si](O[C@@H]1c2c(C[C@](C[C@H](OCc3ccc(OC)cc3)c3ccoc3)(C(=O)CC1)C(=O)OC)c(oc2)CC1(OCC(CO1)(C)C)C)(C(C)(C)C)(C)C	PC-id_11491057	724.952	GGHSPKAJSZWAKC-REDUTEOISA-N	00000000101010110101000000000010000000000000000000000000	31-01-164036
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)C1CCN(CC1)C(=O)C1CCC1	EMOLS-id_317499524,MCULE-1909148755,PC-id_137335266,ZINC22_1772702702	725.833	ISSSCAYHPVAKHW-FXZLDBAYSA-N	00001000100010110101000000000010000000000000000000000000	31-01-164037
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cnn(c2ccccn2)c1C	PC-id_137343031,ZINC22_1772714338,EMOLS-id_317512623,MCULE-7624011565	725.84	MHLPNUUERSSYOS-BPXGCVMRSA-N	00000000100000111101100000000010000000000000000000000000	31-01-164038
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2cc(OC)c(OC)cc2F)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	EMOLS-id_317884366,ZINC22_1772817747,MCULE-8498253874	725.85	QWTOTMYOBPQVAD-FBPNTFGJSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164039
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(OCC)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19052214	725.916	MHEQPLLFUGLMEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164040
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OCC)cccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19052082	725.916	PKJHCUNRQSAVHZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164041
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(OC)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19051688	725.916	CNOXDKGNESKDON-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164042
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(OCC)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19052215	725.916	ZGKRPRDTWLIKKU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164043
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(OCC)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19052150	725.916	USMXSNGLEHLYCO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164044
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cc(OC)ccc2)/NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19051952	725.916	WUFFMYKWURKYJM-TZHWMEPESA-N	00000000100000110100000000000010000000000000000000000000	31-01-164045
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(OC)ccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_73511106	725.916	WUFFMYKWURKYJM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164046
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19051820	725.916	GNWKHYUBPQFLFY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164047
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OCC)cccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19052083	725.916	VBNCICSOSPWFLU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164048
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OCC)cccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19052018	725.916	GHXZEHUKYZHGPE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164049
CCN1CCN(CC1)C(C(=O)N(CC)CC)c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)Oc1cc2c(s1)CCCCC2	SCHEMBL17957161,PC-id_122437477	725.942	HFWGLRVTFRMICM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-164050
COCCN(C(=O)C(c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCCC2)N1CCN(CC1)CC)C	SCHEMBL1203892,PC-id_25234449	725.942	MKSHXEKVZLVPLM-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-164051
O1C(C(OC(=O)C(CC)CC)C(OC(=O)C(CC)CC)C(OC(=O)CCc2c3-c(c(cc3)C)cc(cc2)C(C)C)C1OC)CNC(=O)C(CC)CC	PC-id_72995595	725.951	KPEGXWKMHHXYLE-UHFFFAOYSA-N	00000010100010000110000000000010000000000000000000000000	31-01-164052
O1[C@@H]([C@@H](OC(=O)C(CC)CC)[C@H](OC(=O)C(CC)CC)[C@H](OC(=O)CCc2c3-c(c(cc3)C)cc(cc2)C(C)C)[C@H]1OC)CNC(=O)C(CC)CC	PC-id_11527779	725.951	KPEGXWKMHHXYLE-XETUUIEUSA-N	00000010100010000110000000000010000000000000000000000000	31-01-164053
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC2=O)Cc1ccccc1)Cc1cc(OC)c(c(Cl)c1)OCC(=O)N	EMOLS-id_317481895,PC-id_137343163,MCULE-9858181814,ZINC22_1772713334	726.219	HOGZQLFAYOFRGR-SACAOSOOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164054
CCCCCCCCC(CCCCCC)C(=O)OCC1(COC2=CSC(=C2OC1)Cl)COC(=O)C(CCCCCC)CCCCCCCC	PC-id_164734472	726.466	IRFYLELODAVYBE-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-164055
O(C(=O)c1c2-c(c(C(=c3ccc(=C(C#N)C#N)cc3)C(=C(C#N)C#N)c3ccc4-c(c(cc4C(=O)OCC)C(=O)OCC)cc3)c1)cccc(C(C)C)c2)C	PC-id_73292291	726.775	NLTODXMTAKTUSB-UHFFFAOYSA-N	00000010100000100110000000000010000000000000000000000000	31-01-164056
O(C(=O)c1c(C(=C(C#N)C#N)C(=c2ccc(=C(C#N)C#N)cc2)c2c3-c(c(c2)C(=O)OC)cc(C(C)C)ccc3)c(c2-c1ccccc2)C(=O)OCC)CC	PC-id_73292110	726.775	VMLACMVDTQFWHG-UHFFFAOYSA-N	00000010100000100110000000000010000000000000000000000000	31-01-164057
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19053006	726.861	BKPHYGAESWJXOH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164058
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c([N+](=O)[O-])cccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19322414	726.861	YMGUUUXTDVJUQE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164059
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19053007	726.861	BVKLUXCKUSUHCT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164060
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19052942	726.861	AHCFILORRSNIDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164061
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c([N+](=O)[O-])cccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19322415	726.861	RSWJUSQXGWIGJN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164062
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c([N+](=O)[O-])cccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19322350	726.861	IDJNIJZOZDXGFK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164063
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cc(OC)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19051157	727.889	STIKNIBJAKYHSV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164079
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)CSC)n2	PC-id_135115107,ZINC22_1704322035,EMOLS-id_317368981,MCULE-1564674908	726.909	DBLDNSUXLMOJJV-OUIFVKKZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164064
CC1=CC(=C(c2cc(c3-c2ccccc3)C)C2=[S+]c3cc(=C(c4cc(c5-c4ccccc5)C)c4cc(c5-c4ccccc5)C)sc3=C2)[c+]2c1ccccc2	PC-id_91868504	726.988	QWUVDSZYCKVBON-UHFFFAOYSA-N	00000011100000000110000000000110000000000000000000000000	31-01-164065
CCCCCCSC1=C(SCCCCCC)SC(=C2SC(=C(S2)SC)SCC(=O)OC2COc3c(OC2)csc3)S1	PC-id_139221117	727.184	PNKISOLHRLVLAN-UHFFFAOYSA-N	00000011100000000101100000000010000000000000000000000000	31-01-164066
CCCCCCCCCCCCCCCCc1ccc2-c(cc1)cc(c2)C#Cc1cc2-c(c1)ccc(cc2)CCCCCCCCCCCCCCCC	PC-id_101443813	727.197	YKBOOBCPKXLIRA-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-164067
CCN1[C@@H](I)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](c2oc(C1CC)nn2)C)Cc1ccc(cc1)O	SCHEMBL18652879	727.591	NLZZAQUHNSPEGJ-PJWYSNFKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164068
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1c(OC)ccc(F)c1F	EMOLS-id_317512099,MCULE-4483830742,ZINC22_1772714153,PC-id_137343021	727.798	CHGGHXSKEJYOMZ-NRQVDECXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164069
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1ccc(cc1)N1CCCC1=O	ZINC22_1772706277,PC-id_137337802,EMOLS-id_317484429,MCULE-4513806231	727.852	YTUAOZDDFPFKGL-JGKRUJSYSA-N	00000010100000110101100000000010000000000000000000000000	31-01-164070
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccccc1c1ncc[nH]1	ZINC22_1772704221,PC-id_137338361,EMOLS-id_317481844,MCULE-7160326247	727.852	SBYJIWPZIGVRRV-SGQICDRISA-N	00000000100000110101100000000010000000000000000000000000	31-01-164071
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc(cc1)n1ccnc1	MCULE-1885867113,ZINC22_1772704715,EMOLS-id_317500036,PC-id_137335465	727.852	SKZWBYQVVOLJCV-XUKQSAIQSA-N	00000000100000110101100000000010000000000000000000000000	31-01-164072
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cc(C)nc2n(nc(C)c12)C	ZINC22_1772713925,PC-id_137341834,EMOLS-id_317498018,MCULE-8369778086	727.856	VAOYAOLNGCPNII-PHALFPIFSA-N	00000000100000110101000001000010000000000000000000000000	31-01-164073
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(OC)c(OC)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19051421	727.889	JQMAOCORGRFEAY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164074
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(OC)c(OC)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19051356	727.889	XDXXWXLOJQDKDG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164075
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)ccc(OC)c2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19051289	727.889	ZQHJCPXSSCTOPU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164076
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)ccc(OC)c2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19051224	727.889	PWZQCHZJRLQPDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164077
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cc(O)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19054722	727.889	ALILRKIIAVTNSP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164078
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cc(OC)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19051092	727.889	YWWKKYBLFSODEY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164080
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s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(OC)c(OC)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19051357	727.889	FDOWSPKYISWQFI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164083
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cc(OC)c(OC)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19051391	727.889	WGTIPHLFBVXLTA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164084
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)ccc(OC)c2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19051225	727.889	IKNIWZYKIHVTQP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164085
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OC)ccc(OC)c2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19051259	727.889	KSVSSLZEVKUVQV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164086
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cc(O)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19054723	727.889	OSJVNOSUACQLGT-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164087
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cc(O)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19054658	727.889	FICQPXUKAXDBPW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164088
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cc(OC)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19051093	727.889	YYTXXPDQTIZXMO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164089
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OC)cc(OC)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19051127	727.889	ISYYJYKOMFWQBA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164090
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)c(OC)ccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19050961	727.889	QNFPIFLGVIXMTO-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164091
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OC)c(OC)ccc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19050995	727.889	YVCGCHDMHLWGJB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164092
CO[C@H]1CN(CCc2c([C@@H]1OC)nnn2CCOCCN(C(C)(C)C)C)C(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)C	SCHEMBL17634941,PC-id_118982943	727.932	QQQKJCLIGADXES-BFGHFXMOSA-N	00000000100000000101000000000010000000000000000000000000	31-01-164093
CC1=CC=CC(=O)OC(Cc2nc(cs2)CCCC(C(=O)OCC1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C(C)C=CC(=CCN(C)C)C	PC-id_90463892	727.95	YIMGKNKULRKBHA-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-164094
CN(C/C=C(/C=C/C(=C/[C@H]1OC(=O)/C=CC=C(/C)CCOC(=O)[C@H](CCCc2nc(C1)sc2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)/C)C)C	SCHEMBL16103934	727.95	YIMGKNKULRKBHA-HXIBEICSSA-N	00000000100000000111000000000010000000000000000000000000	31-01-164095
COCCN(C(=O)Cc1ccc(cc1)NC1C(=O)C(=C(C(=C1NC(=O)c1cc2c(s1)CCCCC2)C)C1=CNCC=N1)C)CN1CCN(CC1)CC	PC-id_69816403,SCHEMBL6533731	727.958	DRWHBSCTDKYSGR-UHFFFAOYSA-N	00000000100011110101100000000010000000000000000000000000	31-01-164096
CO[C@H]1CN(CCc2c([C@@H]1OC)nnn2CCOCCN(C(C)C)C)C(=O)CCCC(=O)NCCCOCCOCCOCCCNC(C)(C)C	PC-id_122578383,SCHEMBL18100980	727.975	NCFCKCXNQRZPFO-MFACQUFMSA-N	00000000100000000101000000000010000000000000000000000000	31-01-164097
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccc(c(Cl)c1)F)n2	ZINC22_1704321155,MCULE-1307034853,PC-id_135099616,EMOLS-id_317341584	728.276	FNTQYEWEIUWCTD-XFOUTTHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164098
CCC(c1ccc(cc1)CCNC(=O)[C@@H](CN(c1sc2c(n1)N=C(N=CC2)C)CCN(S(=O)(=O)c1ccc(cc1)OC(F)(F)F)C)C)(F)F	PC-id_143561718	728.796	GURUCFQZZDPNBP-OAQYLSRUSA-N	00000000100000110111000000000010000000000000000000000000	31-01-164099
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc(cc1)c1cnco1	PC-id_137345225,MCULE-8277858536,ZINC22_1772713265,EMOLS-id_317483178	728.837	FNPVBHZUDITGDT-LSJJIYBBSA-N	00000000100000110101100000000010000000000000000000000000	31-01-164100
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1conc1c1ccccc1	EMOLS-id_317518202,PC-id_137337366,MCULE-6097706522,ZINC22_1772706736	728.837	XONIGGZMFBNVAJ-SGQICDRISA-N	00000000100000110101100000000010000000000000000000000000	31-01-164101
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccccc1n1cncn1	PC-id_137337692,MCULE-6187814185,ZINC22_1772704603,EMOLS-id_317478529	728.84	OALCEMYDKQPKQZ-SGQICDRISA-N	00000000100000110101100000000010000000000000000000000000	31-01-164102
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cc([nH]n1)c1ccccn1	PC-id_137336366,MCULE-6404398510,EMOLS-id_317497734,ZINC22_1772703430	728.84	LIHJHFLSIUSCEV-KZFQQWRHSA-N	00000000100000111101100000000010000000000000000000000000	31-01-164103
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)Cc1ccccc1)n2	EMOLS-id_317388673,MCULE-3947262735,PC-id_135112571,ZINC22_1704317905	728.903	KKEUFNZRVMIGCV-LGXAAPQCSA-N	00000000100000110101000001100010000000000000000000000000	31-01-164104
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(Cc3ccccc3OCC(=O)N3CCC(CC3)C)CCCNC(=O)Cn1nc(C)n2	PC-id_137336027,EMOLS-id_317509753,ZINC22_1772700788,MCULE-4617980249	728.923	DXXKBGNPHSUMNO-XLWWBGEVSA-N	00000000100010110101000000000010000000000000000000000000	31-01-164105
COCCN(NC(/C=CC(=C/N)C(=O)NC1=CC=CCc2c1sc(c2)C(=O)CNc1cc(cc(c1OC)NS(=O)(=O)C)C(C)(C)C)CC)CC	PC-id_142819770	728.965	QCJANEIUJUHVJL-MQZNJMRQSA-N	00000000100000110110000000000010000000000000000000000000	31-01-164106
s1c(C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)cc2sc(C(c3c4-c(c(c3)C)ccccc4)c3c4-c(c(c3)C)ccccc4)cc12	PC-id_10723621	729.004	MVQNWPCKGZZAHV-UHFFFAOYSA-N	00000010100000000110000100000010000000000000000000000000	31-01-164107
CC/C=CC=C/C=C/C(C1=CC=CC=c2c(=CC=CC=CC=CC(=CC=C1)Sc1ccccc1C)sc(c2/C=CC)C)/C=C(/c1ccc(cc1)C#N)N	PC-id_145581561	729.049	NQKRZSMNHJYIFZ-BGZODSJYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-164108
CCCCCCCCCCCCCCCCc1ccc2-c(cc1)cc(c2)/C=C/c1cc2-c(c1)ccc(cc2)CCCCCCCCCCCCCCCC	PC-id_102049234	729.213	QPZQLCOOYSEOTF-JEIPZWNWSA-N	00000010100000000110000000000010000000000000000000000000	31-01-164109
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc(cc1)n1cnnn1	PC-id_137344574,MCULE-1570815480,ZINC22_1772713738,EMOLS-id_317490082	729.828	RHGDQZKZLJLYSB-LOTJKCTMSA-N	00000000100000110101100000000010000000000000000000000000	31-01-164110
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1csc(c2ncccn2)n1	ZINC22_1772714120,MCULE-7185972549,PC-id_137342131,EMOLS-id_317506726	729.852	BAVNTUSTMYLGCA-HQQGYVGFSA-N	00000000100000110101100000000010000000000000000000000000	31-01-164111
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19054160	729.862	DKIVWSOBKDPAJK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164112
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OC)cc(OC)c(OC)c2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19054028	729.862	YQFJNKGMCMVJOR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164113
C1(c2ccccc2)(CC1)C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc([C@H](Cc3ccccc3)NC(=O)C1)n2	ZINC22_1704321674,PC-id_135099636,MCULE-8386498839,EMOLS-id_317344922	729.888	UZSOORMZROIYCB-ZJEFRKGSSA-N	00100000100000110101100000000010000000000000000000000000	31-01-164114
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)Cc1ccccn1)n2	EMOLS-id_317365919,PC-id_135113161,MCULE-6361931338,ZINC22_1704324248	729.891	ZTLAHNNTSMMRNR-QZFRTWIZSA-N	00000000100000101101000001100010000000000000000000000000	31-01-164115
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)Cc1cccnc1)n2	MCULE-1102933005,EMOLS-id_317371855,ZINC22_1704338736,PC-id_135115799	729.891	YEXGFWSLTARYQN-QZFRTWIZSA-N	00000000100000101101000001100010000000000000000000000000	31-01-164116
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)Cc1ccncc1)n2	ZINC22_1704343861,EMOLS-id_317338860,PC-id_135092844,MCULE-7193863165	729.891	GRYJIQAVGRVLEU-QZFRTWIZSA-N	00000000100000101101000001100010000000000000000000000000	31-01-164117
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(c3ccccc3)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053335	729.906	LEHGLKGXSJXKCQ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-164118
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(c3ccccc3)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053369	729.906	HGHKGXLSVBSSTQ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-164119
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19053698	729.906	QAYWKNRPVPJHJJ-NQUVTRGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164120
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19053830	729.906	QKUSBGZCGQGAKC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164121
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19053962	729.906	YWBRAFJUSQWSCW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164122
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73512852	729.906	QAYWKNRPVPJHJJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164123
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19321787	729.906	DQDNHKFBSSLQES-CLIDGEQKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164124
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(c3ccccc3)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19053370	729.906	XJUCHAVBNXIIKQ-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-164126
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19321788	729.906	CRZYJAYYHAHBOX-CLIDGEQKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164127
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73601185	729.906	CRZYJAYYHAHBOX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164128
COCCN(C(=O)C(c1ccc(cc1)NC(=N/C(=CN(C)C)/c1cccc(c1C)NOc1cc2c(s1)CCCCC2)C=O)N1CCN(CC1)CC)C	PC-id_143781090	729.974	OZBITJQHNXGOLH-LSWMGQQCSA-N	00000000100010110101000000000010000000000000000000000000	31-01-164129
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccc(Cl)s1)n2	PC-id_135105562,EMOLS-id_317341334,MCULE-9913415409,ZINC22_1704321738	730.297	XTAFNJIMNZCSCR-CUZJBLIYSA-N	00000000100100110101000000000010000000000000000000000000	31-01-164130
c1(sccc1Cl)C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc([C@H](Cc3ccccc3)NC(=O)C1)n2	EMOLS-id_317335710,ZINC22_1704321493,MCULE-2121961435,PC-id_135097671	730.297	QSYDDGAPWHTHLX-QEUIGEMPSA-N	00000000100100110101000000000010000000000000000000000000	31-01-164131
Clc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)CC)ccc2)cc1	PC-id_19322284	730.335	JZSOKSSSHAQMHE-UQRQXUALSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164132
Clc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)CC)ccc2)cc1	PC-id_73601681	730.335	JZSOKSSSHAQMHE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164133
Clc1cc(/C=C(NC(=O)c2ccccc2)/C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)CC)ccc2)ccc1	PC-id_19322152	730.335	NOTXUPXITYOECK-SXBRIOAWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164134
Clc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)CC)ccc2)ccc1	PC-id_73601549	730.335	NOTXUPXITYOECK-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164135
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)CC)ccc2)cccc1	PC-id_19322020	730.335	QRUKYQATKVMTIU-UQRQXUALSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164136
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)CC)ccc2)cccc1	PC-id_73601417	730.335	QRUKYQATKVMTIU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164137
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc(nc1)C(F)(F)F	PC-id_137337312,EMOLS-id_317518713,MCULE-3200899303,ZINC22_1772704388	730.777	LXALVCHQZZYBIB-WPHQEQLXSA-N	00000000100000111101000000000010000000000000000000000000	31-01-164138
COc1cc(OC)cc(c1)C(=O)N1CCC(CC1)C(=O)N1C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2nc(C)nc2[C@H](Cc2ccccc2)NC(=O)C1)C(C)C	MCULE-2530803503,ZINC22_1704342081,PC-id_135095054,EMOLS-id_317376727	730.853	FOXBYCVKJKWVED-AVCZWDQHSA-N	00000000100010110101000000000010000000000000000000000000	31-01-164139
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)Cc1cncnc1)n2	MCULE-1539909472,ZINC22_1704343533,EMOLS-id_317330411,PC-id_135098098	730.879	JTEIIMWMSDTIEK-WTWMYVDVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164140
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cccnc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19053303	730.894	PWNDBPOIWGHSBG-GIBOGKFOSA-N	00000000100000111100000000000010000000000000000000000000	31-01-164141
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cccnc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_73512457	730.894	PWNDBPOIWGHSBG-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-164142
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cccnc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19053304	730.894	GQEUEXQAJIIOGR-GIBOGKFOSA-N	00000000100000111100000000000010000000000000000000000000	31-01-164143
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cccnc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73512458	730.894	GQEUEXQAJIIOGR-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-164144
c12csc([C@H](C(C)C)NC(=O)CN(C[C@H](Cc3ccccc3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC)NC(=O)[C@@H](C)NC1=O)C(=O)CCN)n2	PC-id_135092174,ZINC22_1704321147,MCULE-9719751102,EMOLS-id_317342611	730.941	FFRHEMLKLJNJLG-HWVKTHAQSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164145
c12csc([C@H](C(C)C)NC(=O)CN(C[C@H](Cc3ccccc3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC)NC(=O)[C@@H](C)NC1=O)C(=O)[C@H](C)N)n2	EMOLS-id_317347736,PC-id_135110505,MCULE-9924772507	730.941	FOHKLTIHKVVCNX-IPFNGEQESA-N	00000000100000110101000000000010000000000000000000000000	31-01-164146
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S1C(=C(c2c3-c(c(c2)C)ccccc3)c2c3-c(c(c2)C)ccccc3)CC2SC(=C(c3c4-c(c(c3)C)ccccc4)c3c4-c(c(c3)C)ccccc4)CC12	PC-id_10723608	731.02	BHOXTZSBHVWACE-UHFFFAOYSA-N	00000010100000000110000000000110000000000000000000000000	31-01-164148
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Brc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)C)ccc2)ccc1	PC-id_73513545	732.706	BXODCTMDMYRKJU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164178
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s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19053567	735.934	RICTZKKJDAPRCK-MKCFTUBBSA-N	00000000100100110100000000000010000000000000000000000000	31-01-164255
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19053172	735.934	TZVHKXOLNKFLNJ-SJIPCVTESA-N	00000000100100110100000000000010000000000000000000000000	31-01-164257
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73512326	735.934	TZVHKXOLNKFLNJ-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-164258
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19053568	735.934	HPLCVZRJZFCCBD-MKCFTUBBSA-N	00000000100100110100000000000010000000000000000000000000	31-01-164259
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73512722	735.934	HPLCVZRJZFCCBD-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-164260
c1(CN2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc([C@H](Cc4ccccc4)NC(=O)C2)n3)c(C)nn(C(C)C)c1C	MCULE-8266707295,PC-id_135091745,ZINC22_1704319251,EMOLS-id_317377920	735.939	UDUGCIOXLCDYDJ-DCQJQKIRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164261
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)cccc1Cl	PC-id_19322480	736.727	GVHPWWZZZVRJLX-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164262
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)cccc1Cl	PC-id_19322545	736.727	DSONGHJGGDUXBI-VFCFBJKWSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164263
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)cccc1Cl	PC-id_73601877	736.727	GVHPWWZZZVRJLX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164264
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)cccc1Cl	PC-id_73601942	736.727	DSONGHJGGDUXBI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164265
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)ccc(Cl)c1	PC-id_19050761	736.727	GRSPLJKOLOODDX-VUTHCHCSSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164266
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)ccc(Cl)c1	PC-id_19322612	736.727	PDTCQQTYPHFWHR-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164267
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)ccc(Cl)c1	PC-id_73509915	736.727	GRSPLJKOLOODDX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164268
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)ccc(Cl)c1	PC-id_73602009	736.727	PDTCQQTYPHFWHR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164269
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)c(Cl)ccc1	PC-id_19050828	736.727	VXMOTWMFOKQOEU-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164270
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)c(Cl)ccc1	PC-id_19050893	736.727	ZGHHIQGPXFNISS-XHLNEMQHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164271
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)c(Cl)ccc1	PC-id_73509982	736.727	VXMOTWMFOKQOEU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164272
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)c(Cl)ccc1	PC-id_73510047	736.727	ZGHHIQGPXFNISS-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164273
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)cccc1Cl	PC-id_19322481	736.727	AOLPFLCKOXDIGW-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164274
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)cccc1Cl	PC-id_19322515	736.727	MMTURWUDGAGRTC-ZTKZIYFRSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164275
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)cccc1Cl	PC-id_73601878	736.727	AOLPFLCKOXDIGW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164276
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)cccc1Cl	PC-id_73601912	736.727	MMTURWUDGAGRTC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164277
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)ccc(Cl)c1	PC-id_19050731	736.727	FSXPMABUKQXHEN-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164278
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)ccc(Cl)c1	PC-id_19322613	736.727	WUDYDMWRIVLWHH-NDZAJKAJSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164279
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)ccc(Cl)c1	PC-id_73509885	736.727	FSXPMABUKQXHEN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164280
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)ccc(Cl)c1	PC-id_73602010	736.727	WUDYDMWRIVLWHH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164281
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)c(Cl)ccc1	PC-id_19050829	736.727	WLCMQHIAMPXREL-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164282
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)c(Cl)ccc1	PC-id_19050863	736.727	QQAYNQRNTRJOGU-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164283
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)c(Cl)ccc1	PC-id_73509983	736.727	WLCMQHIAMPXREL-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164284
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)c(Cl)ccc1	PC-id_73510017	736.727	QQAYNQRNTRJOGU-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164285
c12cc(on1)CN(CCNC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O)Cc1ccccc1)C(=O)CN1CCN(CC1)c1ncccn1	PC-id_137339236,EMOLS-id_317485993,MCULE-5299937353,ZINC22_1772713827	736.819	TTYPIBPSAPGAHW-XGNZJKERSA-N	00000000100010110101100000000010000000000000000000000000	31-01-164286
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)Cc1ccc(cc1)S(=O)(=O)C	MCULE-7877032064,PC-id_137340971,EMOLS-id_317506468,ZINC22_1772714331	736.881	MATPZSGGXCXHLV-BPXGCVMRSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164287
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cc(OC)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19051094	741.915	HYAYOIIFKXXAAJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164331
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)[C@H]1CCCO1)n2	MCULE-1119179313,PC-id_135096783,ZINC22_1704321710,EMOLS-id_317343895	736.881	WKBLIHNNDWGCKC-DTIFBSDHSA-N	00000010100000100101000001100010000000000000000000000000	31-01-164288
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)[C@@H]1CCCO1)n2	PC-id_135111263,ZINC22_1704324860,EMOLS-id_317326759,MCULE-2193232123	736.881	WKBLIHNNDWGCKC-NNNZQYNTSA-N	00000010100000100101000001100010000000000000000000000000	31-01-164289
s1c2c(CCCCCC2)c(c1NC(=O)CSc1sc(SCC(=O)Nc2sc3c(CCCCCC3)c2C(=O)OCC)nn1)C(=O)OCC	PC-id_3581340	737.008	NHQQLZHWMQSGGY-UHFFFAOYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-164290
CCCCN1C(C2=NN=C(O2)[C@@H](NC(=O)C(NC(=O)NC(=O)NC(=O)[C@@H](NC(=O)CNC1=O)CCCN=C(N)N)CC3=CNC4=CC=CC=C43)C)CC	PC-id_154977081	737.372	MZZLPBAIHHQQJY-GHFWNWTOSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164291
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccc(c(F)c1)OC)n2	PC-id_135089854,ZINC22_1704336736,MCULE-1236152031,EMOLS-id_317329089	737.841	NWZJYNBDINDHJZ-MHFIUEFXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164292
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccc(c(OC)c1)F)n2	MCULE-4485292727,ZINC22_1704323840,EMOLS-id_317332905,PC-id_135119353	737.841	HETZNJGJUIXEHH-MHFIUEFXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164293
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1cc(F)ccc1OC)n2	ZINC22_1704327248,EMOLS-id_317341629,PC-id_135088919,MCULE-8511525768	737.841	AKYYBWKYVSNITL-MHFIUEFXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164294
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cc(no1)N1CCOCC1	EMOLS-id_317516450,ZINC22_1772714401,MCULE-6608190149,PC-id_137344926	737.846	OSTAWZVOLQVMNA-LOTJKCTMSA-N	00000000100010110101100000000010000000000000000000000000	31-01-164295
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(C(C)C)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19052744	737.97	CQUOYGIHDFJKTR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164296
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccc(c(Cl)c1)C)n2	MCULE-9260241621,PC-id_135097771,EMOLS-id_317365654,ZINC22_1704324177	738.296	YAIIYZFXBOTXOZ-NBTXWSPXSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164297
CC(=O)[C@@H](CCCCNC(=O)COC1CCCCCc2c1nnn2CCN(CC(=O)NCCS(=O)(=O)O)CC(=O)NCCS(=O)(=O)O)NC	SCHEMBL20226736,PC-id_134575541	738.874	JSRLYMFZMVVDAB-LETIRJCYSA-N	00000000100000000101000000000010000000000000000000000000	31-01-164298
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)C(C)(C)OC)n2	ZINC22_1704323892,EMOLS-id_317333925,MCULE-5995877170,PC-id_135118614	738.897	JKHWXKXIKSJPOJ-WDDWZANVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164299
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)CCOCC)n2	MCULE-3174444670,EMOLS-id_317380739,ZINC22_1704318649,PC-id_135107058	738.897	OXSDNBBNLMLKCC-MXSCXNJPSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164300
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19051556	738.958	XTIKTDXBXKRTKR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164301
CCN1[C@@H](I)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](c2oc(C1CC)nn2)C)Cc1ccccc1	SCHEMBL18652875	739.602	BEXHOJRFSZKPQD-ICGNAVQVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164302
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)Cc1cccc(F)c1F)n2	ZINC22_1704319415,PC-id_135106590,EMOLS-id_317366159,MCULE-6532476724	739.832	VZIIUVXAUZGRLJ-QQZXAZDFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164303
CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2cnc(N3CCOCC3)s2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O	EMOLS-id_317874382,ZINC22_1772817409,MCULE-4313352804	739.928	OFZRUDSAHHPUAC-DVIHYUSWSA-N	00000000100010110101100000000010000000000000000000000000	31-01-164304
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(OCC)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19052216	739.943	ZJSRWECXSPXGMM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164305
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OCC)cccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19052084	739.943	SSZPTDRASIHHGZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164306
c12csc([C@H](C(C)C)NC(=O)CN(C[C@H](Cc3ccccc3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC)NC(=O)[C@@H](C)NC1=O)Cc1c[nH]cn1)n2	MCULE-2453612366,PC-id_135120758,ZINC22_1704324757,EMOLS-id_317334958	739.951	RHKQSWHUVLELFN-IKMCDBAFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164307
CCOc1ccc(cc1Cl)C(=O)N1CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC(=O)[C@@H](NC(=O)CCC1)[C@@H](C)CC	EMOLS-id_317511548,ZINC22_1772703402,PC-id_137337260,MCULE-6183328293	740.289	XAOKPMZTPVAOKS-KZFQQWRHSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164308
N#CC(=C(C(=C(C#N)C#N)c1ccc2-c1ccccc2)c1cc(c2-c1ccc(cc2)C(C)(C)C)C(=C(C#N)C#N)C(=C(C#N)C#N)c1ccc2-c1ccccc2)C#N	PC-id_101578417	740.811	RHOCDFCQIXYICJ-UHFFFAOYSA-N	00000010100000000110000000000010000000000000000000000000	31-01-164309
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cnc(nc1)c1ccccn1	EMOLS-id_317471360,MCULE-1277393841,PC-id_137335641,ZINC22_1772706902	740.851	VDOWMLNZZHAMOE-SGQICDRISA-N	00000000100000111101100000000010000000000000000000000000	31-01-164310
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc(cc1)S(=O)(=O)N	EMOLS-id_317483181,PC-id_137339477,MCULE-2289143021,ZINC22_1772713635	740.869	NUNMRSOKSJBRAG-YBBGPBPVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164311
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19053008	740.888	HIKJAZKPRLSPIR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164312
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c([N+](=O)[O-])cccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19322416	740.888	FKEJBEOBUPZOEB-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164313
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)CC(C)(C)CN1CCOCC1)n2	MCULE-1545426658,EMOLS-id_317330111,PC-id_135088269,ZINC22_1704327797	740.956	GRWLODCZDFPOGS-QSVRYFJJSA-N	00000000100010110101000000000010000000000000000000000000	31-01-164314
CO[C@H]1CC(CCc2c([C@@H]1OC)nnn2CCOCCN(C(C)(C)C)C)C(=O)CCCC(=O)NCCCOCCOCCOCCCNC(C)(C)C	SCHEMBL19360755	741.014	HABUIQGIPRCLBM-WJUBTLHQSA-N	00000000100000000101000000000010000000000000000000000000	31-01-164315
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c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cccc(c1)n1cccn1)n2	ZINC22_1704315837,PC-id_135099865,EMOLS-id_317365123,MCULE-3311366523	741.902	FGRWKHFREAPCQF-NBMIEWQZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-164318
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccc(cc1)n1ccnc1)n2	ZINC22_1704322036,MCULE-8863529198,EMOLS-id_317372827,PC-id_135115358	741.902	DEIIDXOSAPHLDC-NBMIEWQZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-164319
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccnn1c1ccccc1)n2	MCULE-4757687855,EMOLS-id_317377433,ZINC22_1704323095,PC-id_135096455	741.902	TXFNGOBNYWQGEA-NBMIEWQZSA-N	00000000100000110101100000000010000000000000000000000000	31-01-164320
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(OC)c(OC)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19051422	741.915	XZCAOFDKNCUATG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164321
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)ccc(OC)c2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19051290	741.915	WHBLZKPSRTWSHV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164322
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cc(OC)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19051158	741.915	YMCGGQDROCOSDV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164323
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)c(OC)ccc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OCC	PC-id_19051026	741.915	WFZWBKLOMXQGGV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164324
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(OC)c(OC)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19051423	741.915	YALCATURLGVUIY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164325
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(OC)c(OC)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19051358	741.915	KMYGUEHTLPEEOP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164326
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)ccc(OC)c2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19051291	741.915	MHZUHOXYRRKUCF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164327
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s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cc(OC)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19051159	741.915	HWRQMHQLPQMJMJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164330
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s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)c(OC)ccc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19050962	741.915	JYOURKSPKWDHPP-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164333
CC1CC(=CC=CC(=O)OC(Cc2nc(cs2)CCCC(C(=O)O1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C(C)C=CC(=CCN(C)C)C)C	PC-id_90854414	741.977	PAZKMTHZDSNUIT-UHFFFAOYSA-N	00000000100000000111000000000010000000000000000000000000	31-01-164334
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c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1cc(F)cc(Cl)c1)n2	MCULE-7657712571,ZINC22_1704322100,EMOLS-id_317388186,PC-id_135092352	742.26	GVQUCUPIIAFUIG-WSDOZCAUSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164340
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c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1c(C)c3c(ccc(C)c3)[nH]1)n2	MCULE-6850752439,PC-id_135109391,EMOLS-id_317386396,ZINC22_1704322165	742.93	JMQUIUQFFNSUKT-DCAJEDDFSA-N	00000000100000110101000001100010000000000000000000000000	31-01-164352
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)Cc1ccc(cc1)C)n2	EMOLS-id_317383582,PC-id_135110047,ZINC22_1704322890,MCULE-4040875091	742.93	PNYHDQALGDOWII-XBZWSRNISA-N	00000000100000110101000001100010000000000000000000000000	31-01-164353
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c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)Cn1cc3c(cccc3)n1)n2	EMOLS-id_317362064,PC-id_135103229,ZINC22_1704321570,MCULE-3527663788	743.875	AEXPQGCOVQNDEB-AURLEMJNSA-N	00000000100000110101000001000010000000000000000000000000	31-01-164362
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s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19054161	743.888	RQGHFYBUINVIPI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164367
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cc(OC)c(OC)c2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053995	743.888	VUEMABBIGZYIIX-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164368
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OC)cc(OC)c(OC)c2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19054029	743.888	DELJJRPGQKLHRE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164369
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19054162	743.888	NOVAZVRPRBIBDF-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164370
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2c(OC)cc(OC)c(OC)c2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19054030	743.888	XOCWRPYPUHOFKE-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164371
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(c3ccccc3)cc2)NC(=O)c2ccccc2)ccc1)CC)C(=O)OC	PC-id_19053401	743.933	IECDPGLRAONHPM-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-164372
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(c3ccccc3)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OCC	PC-id_19053336	743.933	FCOABECLBMLQDG-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-164373
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19053699	743.933	UJCRQXQRJZASFG-JYUHDHNASA-N	00000000100000110100000000000010000000000000000000000000	31-01-164374
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19053831	743.933	JYHLYJIWXFCTNJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164375
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19053963	743.933	HUZDZDCYOICBTH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164376
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_73512853	743.933	UJCRQXQRJZASFG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164377
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(c3ccccc3)cc2)NC(=O)c2ccccc2)ccc1)C)C(=O)OC	PC-id_19053337	743.933	AMNPSDDMKLTLHR-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-164378
s1c2c(CCCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(c3ccccc3)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OCC	PC-id_19053371	743.933	KZDHQADUMSSAPS-UHFFFAOYSA-N	00000000100000110100100000000010000000000000000000000000	31-01-164379
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(cccc2)C)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19053700	743.933	VCMZUESDZFCWPJ-JYUHDHNASA-N	00000000100000110100000000000010000000000000000000000000	31-01-164380
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(ccc2)C)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19053832	743.933	OJESNJVKYSOLRC-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164381
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(cc2)C)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19053964	743.933	ONJHCOXRRFPPSZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164382
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(cccc2)C)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73512854	743.933	VCMZUESDZFCWPJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164383
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccccc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19321789	743.933	LGIXIVCBHHHBEM-LSWMGQQCSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164384
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_73601186	743.933	LGIXIVCBHHHBEM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164385
c12csc([C@H](C(C)C)NC(=O)CN(C[C@H](Cc3ccccc3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC)NC(=O)[C@@H](C)NC1=O)C(=O)CC(C)C)n2	PC-id_135105154,ZINC22_1704318571,EMOLS-id_317370760,MCULE-7989936829	743.979	PJMLOUVLNMMOIP-DWOZXFSFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164386
CC(C)(C1CCCCCc2c1nnn2CCOCCNC(=O)OCCn1c(c(nn1)COCc1ccc(cc1)O)/C=C/c1ccccc1)OCCON=C	PC-id_163766461	744.396	MCRXVRXPNMJMOB-KNTRCKAVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164387
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccc(c(Cl)c1)Cl)n2	ZINC22_1704322999,MCULE-5112920096,EMOLS-id_317375381,PC-id_135091930	744.731	NAKZJYSZZSZJMF-XFOUTTHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164388
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cc(Cl)ccc1Cl)n2	MCULE-1779858185,EMOLS-id_317362061,PC-id_135093670,ZINC22_1704315882	744.731	FUZNHTPHILFSBB-XFOUTTHBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164389
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)c1cnccn1)n2	PC-id_135112192,MCULE-8596237981,EMOLS-id_317327785,ZINC22_1704324843	744.863	VUCPVWFUVOQDBI-WDDWZANVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164390
CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(CCN(C)C(=O)[C@@H](C)NC1=O)C(=O)Cn1nc2ccccc2n1	ZINC22_1704321471,PC-id_135097243,MCULE-2047236954,EMOLS-id_317334942	744.863	PXDGOBMBWRWRBU-HFIHNMJYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-164391
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1cc(C)nc2n(C)nc(C)c12	ZINC22_1772714230,MCULE-5552392340,EMOLS-id_317515685,PC-id_137339379	744.883	GSINGYLPTNOQTG-QNSGGPJCSA-N	00000000100000110101000001000010000000000000000000000000	31-01-164392
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)CN1CCN(CC1)c1ncccn1	EMOLS-id_317482355,PC-id_137336892,MCULE-1954098794,ZINC22_1772701021	744.886	AUPRZSFDYOWGLV-NEUJRDPRSA-N	00000000100010110101100000000010000000000000000000000000	31-01-164393
O=C(NC1CC1)C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c2nnn(CCCCCCC(=O)NCCCC1)c2)CCCCN=C(N)N)CCCN=C(N)N	PC-id_73213697	744.888	UTILNZJKSDECFY-HJOGWXRNSA-N	00100000100000000101000000000010000000000000000000000000	31-01-164394
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)Cc1cccc(O)c1)n2	ZINC22_1704316595,MCULE-8917746101,PC-id_135103761,EMOLS-id_317358465	744.903	WMDPHDXRFXNYLQ-RJSONGRPSA-N	00000000100000110101000001100010000000000000000000000000	31-01-164395
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cccnc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19053305	744.921	TZGGDWQCRNPNSG-NQUVTRGKSA-N	00000000100000111100000000000010000000000000000000000000	31-01-164396
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cccnc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_73512459	744.921	TZGGDWQCRNPNSG-UHFFFAOYSA-N	00000000100000111100000000000010000000000000000000000000	31-01-164397
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)c1cccn1C)n2	EMOLS-id_317381274,MCULE-5154078128,ZINC22_1704322150,PC-id_135110980	745.891	ITBGUCLDEIDUBU-MXSCXNJPSA-N	00000000110000100101000001100010000000000000000000000000	31-01-164398
s1c2c(CCCCC2)c(c1NC(=O)CSc1cc(NC(=O)C(=Cc2ccc(OCc3ccccc3)cc2)NC(=O)c2ccccc2)ccc1)C(=O)OC	PC-id_19054292	745.906	HUDLMZIDQWQEDA-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164399
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(OC)cc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19051718	745.906	JUFBGHGSTDOMIZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164400
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2cc(OC)ccc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19051982	745.906	VKWMRWOISSYPSI-NQUVTRGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164401
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2cc(OC)ccc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73511136	745.906	VKWMRWOISSYPSI-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164402
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(OC)cccc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19051850	745.906	HAEGDURBZMPYIV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164403
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCCN(CCNC(=O)Cn1nc(C)n2)C(=O)c1cc(c(CC)o1)CN1CCCC1	ZINC22_1772713951,MCULE-2554663072,EMOLS-id_317459638,PC-id_137345650	745.911	WYSONROLKXXMKJ-RACGTEMUSA-N	00000010101000110101000000000010000000000000000000000000	31-01-164404
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1cc3c(cccc3)s1)n2	EMOLS-id_317379990,ZINC22_1704321868,MCULE-8577414972,PC-id_135109207	745.911	BYRJCLPVHGOQFT-RKTPSUCASA-N	00000000100000110101000001000010000000000000000000000000	31-01-164405
c1(c2ccccc2sc1)C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc([C@H](Cc3ccccc3)NC(=O)C1)n2	EMOLS-id_317332896,ZINC22_1704325159,MCULE-3631639919,PC-id_135114672	745.911	XRFGOYIAOYZFNJ-HFIHNMJYSA-N	00000000100000110101000001000010000000000000000000000000	31-01-164406
c12[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCCN(CCCNC(=O)Cn1nc(C)n2)S(=O)(=O)c1ccc(cc1)NS(=O)(=O)N(C)C	EMOLS-id_317457853,PC-id_137342652,MCULE-8791859719,ZINC22_1772713861	745.912	UQJQGLCVGFQWOJ-MVSFAKPFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164407
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cc3CCCc3cc1OC)n2	MCULE-9841140431,PC-id_135118241,ZINC22_1704323838,EMOLS-id_317339816	745.931	HCXKCPZEZGQPAZ-HZHOLSPCSA-N	00000010100000110101000000001010000000000000000000000000	31-01-164408
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccc(cc1)CC(C)C)n2	EMOLS-id_317333907,MCULE-8038092501,PC-id_135114831,ZINC22_1704321403	745.931	MWRVYYVBQKJBKF-NBMIEWQZSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164409
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)CCc1ccc(cc1C)C)n2	PC-id_135111472,ZINC22_1704322730,MCULE-3703746605,EMOLS-id_317353631	745.931	NZWNGXLWNFGGBD-UBQPBEJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164410
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)CCc1cc(C)cc(C)c1)n2	EMOLS-id_317366151,MCULE-7436826334,PC-id_135101879,ZINC22_1704317896	745.931	KJRCFYBMRFHLJD-UBQPBEJKSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164411
c12csc([C@H](C(C)C)NC(=O)CN(C[C@H](Cc3ccccc3)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC)NC(=O)[C@@H](C)NC1=O)C(=O)CCOC)n2	PC-id_135087773,MCULE-7463195089,ZINC22_1704335802,EMOLS-id_317388474	745.952	GVHRDZBWWRVYOA-MNWDEFRCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164412
Brc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)cc1	PC-id_19054524	746.733	IEBKBPZMINDFQH-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164413
Brc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)cc1	PC-id_19054589	746.733	NEBLXNZWTOQFDW-XHLNEMQHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164414
Brc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)cc1	PC-id_73513678	746.733	IEBKBPZMINDFQH-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164415
Brc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)cc1	PC-id_73513743	746.733	NEBLXNZWTOQFDW-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164416
Brc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)cc1	PC-id_19054525	746.733	HGHRBNWJHFENBY-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164417
Brc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)cc1	PC-id_19054559	746.733	HRRZWJFQBVPWAG-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164418
Brc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)cc1	PC-id_73513679	746.733	HGHRBNWJHFENBY-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164419
Brc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)cc1	PC-id_73513713	746.733	HRRZWJFQBVPWAG-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164420
Brc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)ccc1	PC-id_19054392	746.733	LTPYLGUBRQBYRR-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164421
Brc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)ccc1	PC-id_19054457	746.733	YKRXFUTYRTVYIN-XHLNEMQHSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164422
Brc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OCC)C)ccc2)ccc1	PC-id_73513546	746.733	LTPYLGUBRQBYRR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164423
Brc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCC4)c3C(=O)OC)CC)ccc2)ccc1	PC-id_73513611	746.733	YKRXFUTYRTVYIN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164424
Brc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)ccc1	PC-id_19054393	746.733	AVVHONVFSNBLHM-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164425
Brc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)ccc1	PC-id_19054427	746.733	ZFDKSGPRZMQYAR-MWAVMZGNSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164426
Brc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OC)C)ccc2)ccc1	PC-id_73513547	746.733	AVVHONVFSNBLHM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164427
Brc1cc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SCC(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)ccc2)ccc1	PC-id_73513581	746.733	ZFDKSGPRZMQYAR-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164428
O=C1NC(CCCCCn2nnc(CC(NC(=O)C(NC)C)C(=O)NC(C(=O)NC(C(=O)NC1Cc1ccc(O)cc1)Cc1ccccc1)C)c2)C(=O)N	PC-id_78118812	746.856	XCGLVNHIHHZDML-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164429
O=C1N[C@@H](CCCCCn2nnc(C[C@H](NC(=O)[C@H](NC)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H]1Cc1ccc(O)cc1)Cc1ccccc1)C)c2)C(=O)N	PC-id_71577261	746.856	XCGLVNHIHHZDML-LOAULJGOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164430
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)c1ccoc1C)n2	MCULE-6331326699,ZINC22_1704325157,PC-id_135117253,EMOLS-id_317332911	746.876	XOJRJZIZNLWXOP-PWUSVURUSA-N	00000000101000100101000001100010000000000000000000000000	31-01-164431
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)Cn1cccn1)n2	MCULE-9914322751,EMOLS-id_317341866,PC-id_135117128,ZINC22_1704327335	746.879	RRFXILLWPSBMGF-MXSCXNJPSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164432
c1(ccnn1C)C(=O)N1CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c3ccccc3[nH]c2)NC(=O)c2csc([C@H](CC(C)C)NC(=O)C1)n2	PC-id_135110913,MCULE-4829128484,EMOLS-id_317380232,ZINC22_1704317944	746.879	LHTSPCLVTAZHBB-WDDWZANVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164433
c1(cncn1C)C(=O)N1CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c3ccccc3[nH]c2)NC(=O)c2csc([C@H](CC(C)C)NC(=O)C1)n2	PC-id_135103776,EMOLS-id_317363850,MCULE-3056428998,ZINC22_1704317916	746.879	KZIHSBLOVRWVIJ-WDDWZANVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164434
c1(cn(cn1)C)C(=O)N1CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c3ccccc3[nH]c2)NC(=O)c2csc([C@H](CC(C)C)NC(=O)C1)n2	PC-id_135111455,ZINC22_1704321657,MCULE-6509765344,EMOLS-id_317349786	746.879	FFCTWMVHQWSARL-WDDWZANVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164435
c1([nH]cnc1C)C(=O)N1CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c3ccccc3[nH]c2)NC(=O)c2csc([C@H](CC(C)C)NC(=O)C1)n2	PC-id_135093543,ZINC22_1704323545,MCULE-1167559948,EMOLS-id_317377686	746.879	YDWJACLBADJKIK-WDDWZANVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164436
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1csc(n1)c1ncccn1	EMOLS-id_317482914,MCULE-5541471333,ZINC22_1772713948,PC-id_137340498	746.879	YLZLWPQMNFVZOW-LWPQGVMLSA-N	00000000100000110101100000000010000000000000000000000000	31-01-164437
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)Cc1ccn(CC)n1)n2	EMOLS-id_317333673,MCULE-7168082162,ZINC22_1704325165,PC-id_135118673	746.922	XWUZMJOJSQLRME-QZFRTWIZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164438
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)Cc1cn(nc1C)C)n2	ZINC22_1704343528,PC-id_135102932,EMOLS-id_317390296,MCULE-2446901795	746.922	IUDAIRIIBWBXBO-QZFRTWIZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164439
O=C(N1CCCCc2c1ccs2)c1ccc(c(c1)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1c1ccccc1	PC-id_139750486	746.958	RWJXUMCCUULERY-UHFFFAOYSA-N	00000000100010110101100000000010000000000000000000000000	31-01-164440
COc1cc(/C=N/c2sc3c(c2C(=O)Nc2cc(C)ccc2C)CCCCCC3)cc(I)c1OCc1ccc(Cl)cc1Cl	ZINC22_408970429	747.513	HQXZKJVSOORYGZ-CDLBOOTPSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164441
FC(F)(F)c1ccc(CC2NC(=O)C(NC(=O)CCCc3nnn(CC(NC(=O)C(NC2=O)Cc2ccccc2)C(=O)O)c3)CCc2ccccc2)cc1	PC-id_78032395	747.763	OVIOPCAWOGZWQW-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164442
FC(F)(F)c1ccc(C[C@@H]2NC(=O)[C@H](NC(=O)CCCc3nnn(C[C@H](NC(=O)[C@H](NC2=O)Cc2ccccc2)C(=O)O)c3)CCc2ccccc2)cc1	SCHEMBL14326234,PC-id_71141114	747.763	OVIOPCAWOGZWQW-ZRTHHSRSSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164443
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)CCc1nc2cc(F)ccc2[nH]1	EMOLS-id_317893070,MCULE-6775907223,ZINC22_1772818567	747.859	UYOMQBHYTJONTE-RBVHHRNTSA-N	00000000100000110101000001000010000000000000000000000000	31-01-164444
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)Cc1ccc3c(OCO3)c1)n2	EMOLS-id_317378696,ZINC22_1704319620,MCULE-1286128710,PC-id_135110773	747.86	YRGVSCWFXQUUQF-MHUSDNACSA-N	00000010100000110101000000001010000000000000000000000000	31-01-164445
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)c1cc(on1)C)n2	PC-id_135090840,EMOLS-id_317389976,MCULE-4102155316,ZINC22_1704322893	747.864	PPHCLCMRRCGXIU-WDDWZANVSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164446
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)c1c(C)n[nH]n1)n2	PC-id_135113230,EMOLS-id_317388675,ZINC22_1704316686,MCULE-3957622650	747.867	ALFQEMOMGTTYEP-OUIFVKKZSA-N	00000000100000100101000001100010000000000000000000000000	31-01-164447
C1(c2ccccc2F)(CC1)C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc([C@H](Cc3ccccc3)NC(=O)C1)n2	EMOLS-id_317354633,PC-id_135098905,MCULE-8807119626	747.879	DWHYDHQUUOKHMK-IZJLGPICSA-N	00100000100000110101100000000010000000000000000000000000	31-01-164448
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(F)cc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19052511	747.897	BIXQSMHTPPXKLZ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164449
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(F)cccc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19052379	747.897	IULUIYSYSZCTGM-NQUVTRGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164450
s1c2c(CCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(F)cccc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_73511533	747.897	IULUIYSYSZCTGM-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164451
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccc(F)cc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19052512	747.897	YAGQISVJQLHNRJ-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164452
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2c(F)cccc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_19052380	747.897	VDDNGXKUGLICLV-NQUVTRGKSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164453
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2c(F)cccc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OC	PC-id_73511534	747.897	VDDNGXKUGLICLV-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164454
CC[C@H](C)[C@@H]1NC(=O)CCCN(CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O)C(=O)c1ccc(CCC(C)(C)O)cc1	EMOLS-id_317512108,PC-id_137341223,MCULE-4707416332,ZINC22_1772714327	747.923	LQZHQWYVRKEMTB-QYKOWSPFSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164455
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1ccc(c3cc[nH]n3)s1)n2	MCULE-2624717122,PC-id_135099400,ZINC22_1704317956,EMOLS-id_317375880	747.93	LQEKNMCMQQFIGJ-HFIHNMJYSA-N	00000000100100110101100000000010000000000000000000000000	31-01-164456
Clc1c(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)CC)ccc2)c(F)ccc1	PC-id_19321888	748.325	AQDBNVIXWBZBQN-UQRQXUALSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164457
Clc1c(C=C(NC(=O)c2ccccc2)C(=O)Nc2cc(SC(C(=O)Nc3sc4c(CCCCCC4)c3C(=O)OCC)CC)ccc2)c(F)ccc1	PC-id_73601285	748.325	AQDBNVIXWBZBQN-UHFFFAOYSA-N	00000000100000110100000000000010000000000000000000000000	31-01-164458
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)c1cccs1)n2	ZINC22_1704316513,PC-id_135100566,MCULE-7053910299,EMOLS-id_317357451	748.915	SNMRGJZNHOXEEN-WDDWZANVSA-N	00000000100100100101000001100010000000000000000000000000	31-01-164459
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)Cc1ccc(C)s1)n2	EMOLS-id_317388190,ZINC22_1704321827,PC-id_135096117,MCULE-5817361229	748.958	AXNZVPCCKLCUIJ-QZFRTWIZSA-N	00000000100100100101000001100010000000000000000000000000	31-01-164460
CCCCOC[C@H]1O[C@@H](c2cccc(c2)Cc2ccc3-c(cc2)c(cc3C(=O)OCC)C(=O)OCC)[C@@H]([C@H]([C@@H]1OCCCC)OCCCC)OCCCC	SCHEMBL14621971,PC-id_71219454	748.984	OHROHJKZNYSVRW-FLOOJLJVSA-N	00000010100010110110100000000010000000000000000000000000	31-01-164461
O1C(C(OCCCC)C(OCCCC)C(OCCCC)C1c1cc(ccc1)Cc1ccc2-c(cc1)c(cc2C(=O)OCC)C(=O)OCC)COCCCC	PC-id_78039562	748.984	OHROHJKZNYSVRW-UHFFFAOYSA-N	00000010100010110110100000000010000000000000000000000000	31-01-164462
s1c(c2OCC(COc2c1)(COCCCCCC)COCCCCCC)C=C(c1c(OCOCCC(CCCC(C)C)C)cc(cc1)C(=C)C#N)C#N	PC-id_86259635	749.054	JWNRADCUQHBHPD-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164463
c1(CN2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc([C@H](Cc4ccccc4)NC(=O)C2)n3)[nH]c2c(cccc2)c1Cl	EMOLS-id_317332121,MCULE-5278668830,ZINC22_1704321746,PC-id_135102288	749.322	YANDLZVCBBYHAW-CGJNZLAMSA-N	00000000100000110101000001100010000000000000000000000000	31-01-164464
CCN(CCOc1c(I)cc(cc1I)C(=O)c1c(CCC(=O)SC(CC)C)oc2c1CCCC=C2)CC	PC-id_142805293	749.482	ZAAYDYPCRUSFLU-UHFFFAOYSA-N	00000000100000110110000000000010000000000000000000000000	31-01-164465
Fc1ccc(C(=O)NCCCCC2n3nnc(C(NC(=O)C(NC(=O)CNC(=O)C(NC2=O)CCCN=C(N)N)CC(=O)O)Cc2ccccc2)c3)cc1	PC-id_74381413	749.792	BKFQZKKMBSJMKK-UHFFFAOYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164466
Fc1ccc(C(=O)NCCCC[C@@H]2n3nnc([C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCN=C(N)N)CC(=O)O)Cc2ccccc2)c3)cc1	SCHEMBL14075664,PC-id_24990983	749.792	BKFQZKKMBSJMKK-OBXRUURASA-N	00000000100000110101000000000010000000000000000000000000	31-01-164467
NC(=NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)c2ccc(cc2)F)n2nnc(c2)[C@H](Cc2ccccc2)NC(=O)C(NC(=O)CNC1=O)CC(=O)O)N	PC-id_143644790	749.792	BKFQZKKMBSJMKK-HACQVUAVSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164468
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)Cc1cc3OCOc3cc1OC)n2	PC-id_135117320,MCULE-1338040974,ZINC22_1704325171,EMOLS-id_317336995	749.876	YEHCIGVVWOZOIA-MHUSDNACSA-N	00000010100000110101000000001010000000000000000000000000	31-01-164469
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccc(cc1OC)OC)n2	ZINC22_1704319564,PC-id_135107652,EMOLS-id_317369217,MCULE-3914758719	749.876	XDUCGCGJGXDMPD-HFIHNMJYSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164470
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1cccc(OC)c1OC)n2	EMOLS-id_317350292,PC-id_135098428,MCULE-3917440803,ZINC22_1704322930	749.876	SGBXFXNRLXWYGH-CSYFSRKCSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164471
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1ccc(c(OC)c1)OC)n2	ZINC22_1704328400,EMOLS-id_317338557,MCULE-6413132025,PC-id_135088746	749.876	NVNQRXGLOUACFR-RKTPSUCASA-N	00000000100000110101000000000010000000000000000000000000	31-01-164472
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)c1cc(OC)cc(OC)c1)n2	ZINC22_1704321358,MCULE-9545695012,EMOLS-id_317345428,PC-id_135093838	749.876	KKPPHXUTFZMOMX-OEPDXNDMSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164473
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)COc1ccccc1OC)n2	PC-id_135097710,ZINC22_1704321482,MCULE-4940312336,EMOLS-id_317343896	749.876	QJIFYXODPWMXRL-PJURQFLOSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164474
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)COc1cccc(OC)c1)n2	EMOLS-id_317365395,MCULE-8031160885,PC-id_135094339,ZINC22_1704324087	749.876	XAJDQZPTQHTYCT-AURLEMJNSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164475
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)[C@@H]1CCC(=O)N1)n2	EMOLS-id_317345685,ZINC22_1704321387,MCULE-6402882385,PC-id_135095168	749.879	LUIPTYPCBJCGOB-OAHAWELDSA-N	00000010100000100101000001100010000000000000000000000000	31-01-164476
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)[C@H]1CCC(=O)N1)n2	ZINC22_1704322285,EMOLS-id_317351574,PC-id_135102116,MCULE-9083037819	749.879	LUIPTYPCBJCGOB-HVLDEAOBSA-N	00000010100000100101000001100010000000000000000000000000	31-01-164477
c12csc([C@H](Cc3ccccc3)NC(=O)CN(CCN(C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC1=O)C)C(=O)CCCc1ccc(cc1)F)n2	PC-id_135094231,ZINC22_1704321553,MCULE-5051306196,EMOLS-id_317334939	749.894	UBHPHHICXNOGKI-GWUYCQIBSA-N	00000000100000110101000000000010000000000000000000000000	31-01-164478
c1(C(=O)N2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc([C@H](Cc4ccccc4)NC(=O)C2)n3)c(C)nc2sccn12	EMOLS-id_317374601,PC-id_135100640,MCULE-5031770865,ZINC22_1704317929	749.903	LESGXOCDLPFIIA-FVJFVQOASA-N	00000000100000110101000100000010000000000000000000000000	31-01-164479
CC/C(=CC/C=C(C=C)/C(=O)Oc1c(cc(cc1)OC(=O)Cc1ccccc1)/C=N/N(C)c1nc2c(s1)C=CCC=C2)/OCCCCCCOC(=O)C=C	SCHEMBL20628339,PC-id_137396900	749.914	VSWKCPPJVAHLDY-WSFBKWLCSA-N	00000000100000110111000000000010000000000000000000000000	31-01-164480
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)C1CCNCC1)n2	ZINC22_1704317085,MCULE-8613173277,EMOLS-id_317383813,PC-id_135101462	749.923	DVWDJMJEMVHWGP-WTWMYVDVSA-N	00000000100010100101000001100010000000000000000000000000	31-01-164481
c12csc([C@H](CC(C)C)NC(=O)CN(CCN(C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c4ccccc4[nH]c3)NC1=O)C)C(=O)[C@H]1CCCNC1)n2	EMOLS-id_317370249,PC-id_135096184,MCULE-8077997580	749.923	MTOCIQYDQCKINA-PJEHFJQTSA-N	00000000100010100101000001100010000000000000000000000000	31-01-164482
c1(c2CCCCc2cs1)C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc([C@H](Cc3ccccc3)NC(=O)C1)n2	MCULE-1353477296,PC-id_135118514,ZINC22_1704324791,EMOLS-id_317330345	749.942	UHHIEUZZYJICPL-NBTXWSPXSA-N	00000000100010110101000000010010000000000000000000000000	31-01-164483
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2ccsc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19053173	749.96	SAQYLAOCESQTTG-GIBOGKFOSA-N	00000000100100110100000000000010000000000000000000000000	31-01-164484
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2ccsc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_73512327	749.96	SAQYLAOCESQTTG-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-164485
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)/C(=C/c2sccc2)/NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_19053569	749.96	JVAPHQFGSYMRKI-MKFPQRGTSA-N	00000000100100110100000000000010000000000000000000000000	31-01-164486
s1c2c(CCCCCC2)c(c1NC(=O)C(Sc1cc(NC(=O)C(=Cc2sccc2)NC(=O)c2ccccc2)ccc1)c1ccccc1)C(=O)OCC	PC-id_73512723	749.96	JVAPHQFGSYMRKI-UHFFFAOYSA-N	00000000100100110100000000000010000000000000000000000000	31-01-164487